smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCOC(=O)c1sc(NC(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)nc1C 19649279 WCJQIUDBYZVDLI-UHFFFAOYSA-N 447.498 1.612 30 10 IDEE C[C@H]1CN(c2oc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2C#N)C[C@@H](C)O1 36627686 RNJYDDKYUINWPB-GASCZTMLSA-N 432.502 1.848 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@H]1c1ccncc1 72472474 ZEFIBKAZJQMMHL-PBHICJAKSA-N 430.424 1.533 30 10 IDEE CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cccc(S(=O)(=O)N2CCOCC2)c1 103429488 UAIHZNKPFIFROR-ZBJSNUHESA-N 427.486 1.898 30 10 IDEE N#CCCn1cc(/C=C/C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 104900588 ZKTOQUOGRIUTHH-OVKVCFKUSA-N 426.542 1.899 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cccnc1)n2C[C@@H](O)COc1ccccc1 254510173 YAZPCXBIHDOQPO-OAHLLOKOSA-N 435.444 1.117 30 10 IDEE Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)n2)cc1 409595430 PVAPNXUGQPBHIS-KRWDZBQOSA-N 434.504 1.846 30 10 IDEE COc1ccc([C@@H]2NC(=O)N([C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)c(OC)c1 431598109 WWXCIPZUTDSSIL-QUCCMNQESA-N 434.452 1.969 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 441473214 DEPJPGZCGOSOCV-NSHDSACASA-N 429.424 1.636 30 10 IDEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)ccc2O1 443709214 MYVJQWMMESLCTJ-IBGZPJMESA-N 442.497 1.331 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(N2CCS(=O)(=O)CC2)CC1 464482896 BHTQUGYGLNKTEQ-GOSISDBHSA-N 448.589 1.525 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)c3ccccc23)CC1 477341189 XCDWKWRKKVFWMU-UHFFFAOYSA-N 430.530 1.407 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 508724245 PHUDTACVALXQAG-QGZVFWFLSA-N 432.550 1.486 30 10 IDEE CCO[C@H](C)c1noc(CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 532811577 OGOAXKOUCZTLKK-MRXNPFEDSA-N 433.534 1.630 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCOC1 533086011 UJZAKZHUJMTULW-CQSZACIVSA-N 439.493 1.727 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCc3ccccn3)c2=O)c1 540695128 WNVOONHAWRFMIZ-UHFFFAOYSA-N 448.548 1.988 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542220006 JBOSJUKOXZCWFZ-UHFFFAOYSA-N 439.566 1.595 30 10 IDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 555245588 LLEIGVDVOKMLFQ-UHFFFAOYSA-N 428.537 1.797 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 559005846 ZTBVJZZTBKVGOR-ZIAGYGMSSA-N 426.568 1.807 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(OC)cc2)CC1 559008428 ABIHKELXQMEZBB-IBGZPJMESA-N 427.505 1.913 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(F)cc1 603991105 XTRKPURITSCEEJ-UHFFFAOYSA-N 447.491 1.755 30 10 IDEE COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc(Br)c1 612261355 CKURXQVJUDCASM-CQSZACIVSA-N 448.277 1.918 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1 732056401 DUIDPXVQILKPMA-WTKPLQERSA-N 447.474 1.982 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CC1 732649578 KQXMSESLSUFGMW-IEBWSBKVSA-N 447.517 1.337 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)N1CCN(Cc2ccccc2)CC1 733857722 PUVABSFDKIUMMH-QGZVFWFLSA-N 428.514 1.504 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)cn1 735068463 CDRBYQZBYKIKBE-UHFFFAOYSA-N 435.553 1.842 30 10 IDEE C=CCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2cnn(CCC)c2)c1=O 735069190 NEQWWTPVWPBDSS-UHFFFAOYSA-N 437.500 1.983 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)c1 751925718 TVBHTCDDTCJUTN-HNNXBMFYSA-N 441.504 1.910 30 10 IDEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 774059031 SKMDEGZLOLWCBB-CRAIPNDOSA-N 441.575 1.559 30 10 IDEE C#CCN(C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774170143 DWWCSYHNSAROOU-CRAIPNDOSA-N 433.530 1.237 30 10 IDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(S(C)(=O)=O)cc1 789968183 LULAHRGCFCBSAB-UHFFFAOYSA-N 434.547 1.568 30 10 IDEE C[C@H](CC(=O)N1CCO[C@H](COc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 791149139 RWUDRQXDRWSMTK-AEFFLSMTSA-N 443.525 1.810 30 10 IDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)n1cnc(C#N)n1 798400376 CPMIXHJUUDGFNA-BJTZIBPKSA-N 429.506 1.942 30 10 IDEE C[C@@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)n1cnc(C#N)n1 798747611 KVLJKTNDQXOODO-GWCFXTLKSA-N 436.350 1.560 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCS(=O)(=O)CCc3ccccc3)CC2)n1 800063747 NGIFUACVMKKVBR-UHFFFAOYSA-N 427.530 1.442 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12 800255923 FNGFHJGTMJRQEM-NHJGBSBYSA-N 437.496 1.822 30 10 IDEE C[C@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 803850882 UKMNDJRZYIEHKW-AWEZNQCLSA-N 444.469 1.158 30 10 IDEE NS(=O)(=O)c1ccc(C=NN2C(=O)NC3(CCCCC3)C2=O)cc1Br 807953038 SUIRXQAEDXGKQL-UHFFFAOYSA-N 429.296 1.685 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC 808282486 CMCKQIXMIPJFFK-GFCCVEGCSA-N 434.923 1.118 30 10 IDEE C#CCN1CCN(C(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC1 810214355 WCOROOVTARHDMN-VXAPCQRLSA-N 429.520 1.243 30 10 IDEE CCc1ccc(C#CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 816601542 HEDAOUGWUUVNIC-OAQYLSRUSA-N 433.556 1.563 30 10 IDEE CC(=O)Nc1ccc(O)c(C(C)=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 915949163 CNBLGRKRYZYHOZ-UHFFFAOYSA-N 446.533 1.518 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)ccc1F 1140317498 DHRJKRUNVXIOKX-UHFFFAOYSA-N 428.449 1.968 30 10 IDEE CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@H](C#N)CO)ccc1Br 1140740134 ZRCLXICWUIYIPN-CYBMUJFWSA-N 438.303 1.888 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)cnc1Br 1144429299 QVVTWRULEQFTBM-KAMYIIQDSA-N 444.083 1.863 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](c4cc(O)nc(O)n4)C3)ccc2c1=O 1161578362 CUUWGBQERDQGRI-LBPRGKRZSA-N 425.470 1.702 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)ccc1OC 1265125284 JRMSSXAQBCKADA-WTOYTKOKSA-N 438.484 1.986 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)nc1 1286303769 SNSBHFNDYZIWMR-GOSISDBHSA-N 434.548 1.878 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCSCC1 1286460199 LOFNXYMRNYIDHT-UHFFFAOYSA-N 430.534 1.988 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[S@](=O)CC 1286460613 HHXOCQAMBWGJKZ-SSEXGKCCSA-N 431.537 1.948 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN2CCCO)CC1 1286475915 KZODAQGHDHORFH-LJQANCHMSA-N 426.540 1.686 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1286730681 YMMLVVQQYGOXFW-FCHUYYIVSA-N 440.592 1.805 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCOCC1 1286786363 CLQNJVJVVOEWKT-UHFFFAOYSA-N 437.504 1.204 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286823547 WBOINXXPIZSAEJ-OAHLLOKOSA-N 449.581 1.406 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1287419703 MQIPFRMNDHFATC-GJZGRUSLSA-N 426.491 1.154 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@]1(C(=O)OC)CCOC1 1289877370 SLNSFLAUSIGANI-GOSISDBHSA-N 441.278 1.794 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC[C@@H]1CCCO1 1293113333 FLHOGTXIIBSUQN-MSOLQXFVSA-N 440.552 1.803 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1293250225 GDPOLEHLLUWFSW-NHWLHPCLSA-N 429.525 1.568 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1294911530 BUDWFEAZDUXBCP-UHFFFAOYSA-N 447.499 1.918 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C2CC2)N(C)C)c1 1300333329 ZPSDFIDJDKTBKA-UXHICEINSA-N 449.559 1.626 30 10 IDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1300440271 RLWVBZANARYIBJ-UHFFFAOYSA-N 430.303 1.465 30 10 IDEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1300441473 PJKRYROQQFFFMD-XOBRGWDASA-N 434.587 1.750 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1300548584 LOYGGNLAZJRADV-HXUWFJFHSA-N 432.528 1.770 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1300631211 NNOXKCDJTZURGJ-HXUWFJFHSA-N 438.557 1.933 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2c(C)nc3ccccc32)CC1 1300680384 ACQAUKPRIFLNOY-UHFFFAOYSA-N 448.575 1.920 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1300990943 JHUVMIKBEULOIR-ROUUACIJSA-N 440.552 1.717 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1301346735 JIWSXKXBVILVGV-SJLPKXTDSA-N 435.550 1.496 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301507030 UICSZATVBICWJI-UHFFFAOYSA-N 443.515 1.159 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CCC)C(=O)C1 1301588258 FCNXOBFSCYYLJC-KRWDZBQOSA-N 439.582 1.569 30 10 IDEE N#CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1303009633 LXFDNDGXXBMNTM-SFHVURJKSA-N 432.488 1.935 30 10 IDEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)NC(C)C)n1 1304472853 DAPODLZGRBMBHX-UHFFFAOYSA-N 432.488 1.708 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)NC)CC2)C1 1314260592 AIGYNPAIJKJLBV-UHFFFAOYSA-N 438.532 1.709 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 1318851818 FIFSZSMRZPFKEV-MRCUWXFGSA-N 436.468 1.438 30 10 IDEE CN1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 1319704747 QWGSVKATIXHCPD-FXAWDEMLSA-N 430.505 1.816 30 10 IDEE C#CCN(C(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1)[C@@H]1CCS(=O)(=O)C1 1324855957 GNMMRWQKUNOGFN-QGZVFWFLSA-N 430.486 1.703 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1358889577 DKPCFXVWOCONPK-PNLZDCPESA-N 449.552 1.850 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1359075815 HFFFTXHXOYWOHV-UHFFFAOYSA-N 439.358 1.916 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccnc2)CC1 1359178755 AWZCJULPODGYBE-LJQANCHMSA-N 446.577 1.651 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359343386 RWVSRJVGCQYXIL-FRQCXROJSA-N 442.607 1.484 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCn1cc([C@@H]2CCOC2)cn1 1360193088 OZJLTBJMVRVPQR-QGZVFWFLSA-N 426.525 1.557 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@H]1CS(=O)(=O)C2 1456614485 SJLVGKRHUXNPFX-RRUGBERISA-N 442.324 1.743 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)c1 1457119809 SNNAKEFPWXKAIN-CYBMUJFWSA-N 437.319 1.302 30 10 IDEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCC[C@@H](OC)C1 1461288729 RUEZOFIUSVYXGW-LZLYRXPVSA-N 437.518 1.355 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(I)c(Br)c1 1468372345 DGFKNYFZTJHJFS-VIFPVBQESA-N 425.020 1.774 30 10 IDEE CCOC(=O)[C@@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCOC1 1469762122 CHKKYMIUGZSAHY-PGRDOPGGSA-N 428.489 1.713 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1)c1cc[nH]n1 1472173446 OQDMMSJCDFMGJP-UHFFFAOYSA-N 429.433 1.004 30 10 IDEE CSc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1C#N 1479311916 CILYOMPVRNCVJM-KRWDZBQOSA-N 438.575 1.616 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1503356560 ATMIIIPMJUFEQV-HTAPYJJXSA-N 439.495 1.616 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1504539048 FTMNWWPPTVATSJ-FQEVSTJZSA-N 436.516 1.893 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1504539052 FTMNWWPPTVATSJ-HXUWFJFHSA-N 436.516 1.893 30 10 IDEE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1504603793 ZTHHYFWUWYVKKO-LJQANCHMSA-N 436.495 1.913 30 10 IDEE COCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1504895803 IWDFNFCCBPLZLH-QFIPXVFZSA-N 441.536 1.558 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)F 1507520966 IPNPJELZTCWBGA-LBPRGKRZSA-N 437.447 1.810 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1507577448 ZNYOGJJWMXMRSP-MRXNPFEDSA-N 449.556 1.553 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507637460 KHKNLEDXLFHSMU-QZTJIDSGSA-N 436.578 1.963 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC(=O)N(CCOC)C1 1507772663 STOOFQPQHIKXNN-BNUXRISVSA-N 445.564 1.489 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507784024 ZIKIAJGOCMLLKS-BBRMVZONSA-N 436.358 1.744 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncn(C)n2)CC1 1507896401 FDELIVBBAVFCKJ-UHFFFAOYSA-N 427.534 1.928 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507969034 ZRYKMFBHKYOPDK-IRXDYDNUSA-N 432.525 1.238 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1508138231 YTRWQKALZLILEW-CABCVRRESA-N 441.579 1.199 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508144743 GHRVKYGSKYTGEQ-MRXNPFEDSA-N 437.610 1.963 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511700763 ZIFGEUSUUMRIFR-PBFRHIFNSA-N 438.536 1.901 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1516806267 RKVFOYIDOLLGCP-IPMKNSEASA-N 429.546 1.970 30 10 IDEE CS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1519523222 DLWSPUSADJNRCJ-UHFFFAOYSA-N 428.562 1.784 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1520583838 NVXQNNMKKMAEIU-JXXFODFXSA-N 443.566 1.816 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2Cl)CCO1 1521128954 HVXCOASNOMWDCU-HOTGVXAUSA-N 435.937 1.805 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 1525838748 ZKQBXQMGYCMNTQ-UHFFFAOYSA-N 434.246 1.350 30 10 IDEE C=CCC1(C(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CCOCC1 1531449124 OQEKEMOIFXVVTG-UHFFFAOYSA-N 436.530 1.682 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)COC 1539312664 XBYRGZDFXPQHRK-QGZVFWFLSA-N 428.562 1.984 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1539324280 SJKWRNNARDURKQ-NZQKXSOJSA-N 443.617 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2cnn(C)n2)CC1 1539480959 HOUWIWKCJAKRGD-LJQANCHMSA-N 440.552 1.247 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC)CC1 1539484187 GJCUMIGMXGXOBO-UHFFFAOYSA-N 447.543 1.452 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@H]2C)CC1 1539487837 ADROHQBLQIDBHD-MJGOQNOKSA-N 426.565 1.803 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCOCC2)CC1 1539890020 GXHHXBKSASABJW-GOSISDBHSA-N 437.610 1.693 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCOCCCO)n1 1542628443 JMUCFFZVDQSHHX-UHFFFAOYSA-N 448.531 1.641 30 10 IDEE C=C[C@@H](O)C(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1542880222 WZMZLDHBNDMOPD-SNVBAGLBSA-N 442.129 1.153 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1555422281 OGNIWBOWGWGOHS-YYDVJCTNSA-N 438.532 1.661 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555995155 YQTZNLOFWXRURZ-DQRAZIAOSA-N 446.515 1.920 30 10 IDEE CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1=O 1585133116 YPFVPUCHVNHBJC-VLMPBXDWSA-N 429.542 1.950 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1587804040 RZWMCJIGKGDBAN-MRXNPFEDSA-N 445.549 1.104 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1588045376 JLTKAFNLVWUZBL-KRWDZBQOSA-N 437.529 1.308 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1588574939 WROGODAFTPJCMA-WMZOPIPTSA-N 446.577 1.489 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)CC1 1588811505 KWOCASKCCARIPQ-LJQANCHMSA-N 449.621 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(CCC)C2)CC1 1588955230 SAAKOSBAACJPEV-OAQYLSRUSA-N 449.603 1.962 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1595523352 UWJDXHJMPONUEN-UHFFFAOYSA-N 443.458 1.939 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ncccc2F)CC1 1595543924 BONBWIJSQPQXSC-OAHLLOKOSA-N 430.484 1.666 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1595577053 HRADROWHNRZRFT-QGZVFWFLSA-N 426.521 1.443 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1595812052 LQWNSHKEYZFGHD-RBUKOAKNSA-N 431.562 1.870 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1-c1ccc(OC(C)C)cc1 1611166160 WQJIPCBVSLJYAD-YWZLYKJASA-N 429.502 1.373 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1611307776 GTTZJPCGZDVTKF-LRDDRELGSA-N 431.447 1.874 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1613584890 MRDIQJSLBQKKIM-AWEZNQCLSA-N 443.508 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCO[C@@H](C#N)C2)C1 1614906125 VKLXMWUUKZRUJR-XOBRGWDASA-N 425.482 1.085 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2cccc(OCC#N)c2)C1=O 1617233189 SAMRMLZQGCMZOO-SFHVURJKSA-N 430.505 1.968 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617608852 MPYSOBKTIGGKGE-UHFFFAOYSA-N 438.879 1.617 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)C1 1618632889 GOWNMBTZVFHXAF-HXUWFJFHSA-N 448.531 1.670 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)n2)cc1 1619239493 FZPMOQMQNDNNEU-HXUWFJFHSA-N 436.520 1.562 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1619955124 NVHHCNAKNQJQLV-QFBILLFUSA-N 438.532 1.709 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1620077529 SZGWSWNNSHPZRW-MSOLQXFVSA-N 426.477 1.414 30 10 IDEE C[C@H](NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(C#N)cc2)C1)c1ccc(S(N)(=O)=O)cc1 1620623974 LMXWPNKIVSEGON-GCKMJXCFSA-N 442.541 1.845 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1623692278 AZTHORMRVQXYAD-GOEBONIOSA-N 443.935 1.376 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)s1 1624273102 ZXLULZIONBMGTO-QGZVFWFLSA-N 432.589 1.182 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1624815768 AACHZCFYSALZBX-MHECFPHRSA-N 432.480 1.926 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC(=O)NCc3cccnc3)C2)C1 1627675147 BAOVQVXUQZCTEQ-OTQYULQBSA-N 441.532 1.991 30 10 IDEE Cn1nccc1C1(O)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1633641956 KPTPDKCLUZJUFH-HNNXBMFYSA-N 427.892 1.808 30 10 IDEE N#Cc1csc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 1636259582 STKQGDLOJXUSGR-UHFFFAOYSA-N 436.515 1.551 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636838577 FGIUTQYYMWKBAP-NWDGAFQWSA-N 435.365 1.554 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)COc1ccc(C#N)c(Br)c1)C2 1637181060 PKDUJSSIYJKKKV-OAHLLOKOSA-N 447.293 1.099 30 10 IDEE C[C@H](CC(=O)NCCOC(F)(F)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1637401711 WDBBVTQXHSNSIY-SECBINFHSA-N 429.367 1.792 30 10 IDEE Cn1nc(I)cc1C(=O)Nc1ccccc1-n1ncc(C#N)c1N 1640347503 NCAYSWOPLVLKJE-UHFFFAOYSA-N 433.213 1.917 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1643022947 BWMOKYPBLMJPOC-DLBZAZTESA-N 439.534 1.251 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1643906628 RLSSXDQPWOBAFF-ZDUSSCGKSA-N 446.451 1.409 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccsc2C#N)CC1 1645390959 GZCRBBHQPCHHHT-AWEZNQCLSA-N 429.527 1.507 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 1651026589 WOLSBRUWRHJJEA-UHFFFAOYSA-N 431.558 1.430 30 10 IDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)Cc3ccc(Br)cc3C#N)C2)cc1=O 1652827320 MUAAIPDXJPAXAZ-CQSZACIVSA-N 432.278 1.058 30 10 IDEE CC(C)NC(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1654366624 ISIQXXBMPARXHN-FPOVZHCZSA-N 429.540 1.771 30 10 IDEE C[C@@]1(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)COC(=O)N1 1655613648 JPJRSTXOAPGSON-UWJYYQICSA-N 431.562 1.667 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 1661512371 AAPNRTFSXLGRGV-KRWDZBQOSA-N 444.538 1.540 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)Cc2cn(CC(=O)OCC)nc2-c2cnn(C)c2)c1 1663850768 QWHAMJWWFXLQQJ-UHFFFAOYSA-N 434.500 1.899 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Nc3cccc(OC)c3)cn2)CC1 1673109843 ZYMJMUSRYCKDOX-UHFFFAOYSA-N 444.517 1.451 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCCn2cc(Br)ccc2=O)n1 1681584716 DJRPUYRAFDZHJZ-UHFFFAOYSA-N 436.310 1.299 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1689986322 NHNJDMXTWKMSPY-KRWDZBQOSA-N 436.559 1.007 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689987764 BTUPOTSPSCWIFR-ZWKOTPCHSA-N 443.577 1.094 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1690080352 PQHKFGXLBDKSPG-QFIPXVFZSA-N 426.590 1.931 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCSC2)CC1 1690137856 KLZAULWINHQEIS-IRXDYDNUSA-N 435.594 1.721 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCN(C)CCCOC 1690202705 BIXPCMWLVSXTAQ-JOCHJYFZSA-N 428.537 1.966 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)[C@@H](C)CC)CC1 1690375305 GQLVCMZBQCHGLH-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1690596948 FICBJHRHSUNFCI-IRXDYDNUSA-N 441.623 1.933 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690628967 ACBOMICLHJZXNC-LXIYXOSZSA-N 426.543 1.178 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690659390 RCWNTGCIDCCLFN-MRXNPFEDSA-N 442.568 1.616 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690663271 RDENDALNRBNNFI-HXUWFJFHSA-N 447.543 1.862 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(C)(=O)=O)C1 1690691605 HLPYZRJLSIUBDC-AWEZNQCLSA-N 426.930 1.324 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1691004127 OUYAHOPVBFVYKO-WMLDXEAASA-N 434.522 1.326 30 10 IDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1693854565 GTFYZSKIOBXDHR-HNNXBMFYSA-N 433.472 1.496 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1694789745 XSUAYHREFCMZBW-IBGZPJMESA-N 435.532 1.838 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1698443520 PARKRYZZGDSGGR-QGPMSJSTSA-N 431.518 1.502 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(Cc4cccnc4)n3CCOCCCO)CC2)nc1 1698489335 ORGPDJPQLDMLOQ-UHFFFAOYSA-N 448.531 1.256 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](CC)OC)CC1 1705638900 AWOOUYZDMVRYFR-HXUWFJFHSA-N 438.580 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cscc2C)CC1 1705647603 ISNOINJRIHUPLD-QGZVFWFLSA-N 426.546 1.613 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CC2)CC1 1705651250 PFRNCLLGRUAGIV-UHFFFAOYSA-N 437.544 1.965 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705890826 KUYDJHJPPLMPRS-CABCVRRESA-N 431.509 1.669 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705894944 OQNFTAWPPNLNFV-ZDUSSCGKSA-N 432.447 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2CCCO2)CC1 1705928023 LCLDUTHWKWVMCU-KRWDZBQOSA-N 439.582 1.413 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1706669064 INBKZXRLXWTNLD-KKSFZXQISA-N 445.524 1.047 30 10 IDEE C[C@H]1CCCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1708084629 CCLSPXRAVDWRMM-OALUTQOASA-N 429.569 1.641 30 10 IDEE C[C@@H]1COCCN1c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1708259417 SELYRWZPECEPTG-MSVBSMQLSA-N 440.479 1.760 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@@](C)=O)CC1 1710734470 DLAUWCDOICGIPN-PBNKOMEISA-N 444.565 1.102 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712175521 NBZCRUMNELRVAP-ROUUACIJSA-N 429.500 1.750 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCOCC(F)F)cc1 1712880728 GGXIANYFQSMAQJ-WBVHZDCISA-N 446.458 1.725 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722370508 NZPSWXQCFPLPEU-MOPGFXCFSA-N 437.610 1.563 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1ccco1 1722407989 WQJAYRWGJKLRJO-UHFFFAOYSA-N 431.460 1.403 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cn(C)nc1-c1ccccc1 1722419073 MSDUIVJCIYMXJV-UHFFFAOYSA-N 435.532 1.951 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)N2CCC(C)CC2)CC1 1722432571 YHQHFCQPGKUDRE-SFTDATJTSA-N 432.613 1.878 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1722542642 FELHPQKFWVDKFT-CQSZACIVSA-N 432.978 1.336 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)C1 1722718282 IGFUESGFPYPHNA-QZTJIDSGSA-N 446.577 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1722737190 WNPYDKNAIZFXDU-IRXDYDNUSA-N 437.566 1.733 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1723773337 OYAFPVPKKWJNOS-OAHLLOKOSA-N 427.465 1.841 30 10 IDEE Cc1ccccc1-c1nnc(N2CC[C@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1724574698 GCEKFUGARDHNHO-OBAOGOGRSA-N 435.488 1.092 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1729546115 SMAYAKNKNXZJGS-UHFFFAOYSA-N 432.481 1.506 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCCCS2(=O)=O)c1 1740564250 GLEYTMDGIJYFQI-GOSISDBHSA-N 429.546 1.864 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740566509 HZXPYXAXZOHHCJ-MOPGFXCFSA-N 437.548 1.886 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1740618283 GAXPBLQYEMVJNN-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C2CC2)CC1 1740690488 JMBLZEMUVTUWAY-KRWDZBQOSA-N 440.523 1.839 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740715061 CHZVGBZSMLNCGJ-SFHVURJKSA-N 426.550 1.839 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740720176 QNOUGOXKGYPETA-QGZVFWFLSA-N 426.546 1.820 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1740773741 CKWQKORCNFIUPL-ROUUACIJSA-N 440.614 1.498 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740792339 HVZIKEDOSAYIMW-SFHVURJKSA-N 445.568 1.548 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)nc2)CC1 1740833191 MYIUBOJPQGVULS-AWEZNQCLSA-N 447.565 1.692 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740964551 DYTABYAFJHTUJY-MRXNPFEDSA-N 442.545 1.822 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)[C@@H](C)C1 1741054951 AUGFBMYXVLXJTP-KRWDZBQOSA-N 442.520 1.185 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CC1 1746511122 BZXJKXQKEHSSNW-UHFFFAOYSA-N 434.504 1.420 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CCO1 1748212739 VZPOZMCEUPOTLA-HNNXBMFYSA-N 427.852 1.458 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC 1748647663 RHMFZIPPAJDKES-LBPRGKRZSA-N 428.356 1.939 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1748811590 ITYHTKSQDZVLSU-QGZVFWFLSA-N 440.529 1.130 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748822163 ZCMNRVOZDGFIOW-QZTJIDSGSA-N 447.605 1.552 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1748859804 MQVFHDMHJBKKSH-UHFFFAOYSA-N 428.514 1.516 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F 1748963032 WYFOKLAZKIMEFZ-HNNXBMFYSA-N 438.500 1.787 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@]2(C)CCCO2)n1 1748971422 OUTWHVZCBITXGW-AVRDEDQJSA-N 428.537 1.834 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1 1749651348 SVLZVJNIJDHHLI-QGZVFWFLSA-N 426.521 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C 1749730052 YFMVKOKLAOVXLK-UHFFFAOYSA-N 435.941 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1749736563 LCKXUUMLKQAAHH-UHFFFAOYSA-N 448.549 1.143 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@]2(CCOC2)C1 1749736621 MLWJHKXJXOSRQW-JOCHJYFZSA-N 446.573 1.774 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1749736786 PGIIPOGMWQZDFA-KDURUIRLSA-N 434.562 1.628 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)C(C)C 1749967865 TVXHBMQXTZJZPH-OYHNWAKOSA-N 444.536 1.944 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1750145844 BATZCNXHNRNLPU-YEWWUXTCSA-N 444.458 1.811 30 10 IDEE CC(C)Cc1nnc(N2CCC(CCC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750730836 GFIOCEQYTLOINT-MRCUWXFGSA-N 443.552 1.485 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cncn2)CC1 1760131443 SKGYCWZGHVPDIM-INIZCTEOSA-N 434.570 1.200 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OCC(N)=O)CC1 1760139396 AVWNAZDJBHCVCN-UHFFFAOYSA-N 435.532 1.791 30 10 IDEE C#CCN1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1760256468 HGOKUXKNOWYAHH-CEXWTWQISA-N 430.553 1.366 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CCC)OC)CC1 1760271021 IQEMIKMAEFOCRD-GOSISDBHSA-N 430.553 1.181 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1760280031 LUJJFXNEDKJXOQ-UHFFFAOYSA-N 427.578 1.273 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1760312776 DHZVGEXCJOHEEG-SJORKVTESA-N 434.541 1.676 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760359110 CEXNTHQIPSFXBG-GOSISDBHSA-N 430.553 1.584 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760566429 TYKUXXBRTZRGIN-PMPSAXMXSA-N 439.607 1.062 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1760566637 ZEHKHJCBUFEIHH-CABCVRRESA-N 447.652 1.472 30 10 IDEE CC(=O)N1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1760594740 SUTZRJKCTRWYSU-UHFFFAOYSA-N 434.460 1.497 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)CCOC1 1761291657 MRDSSJXMPLTUFR-KNQAVFIVSA-N 449.552 1.633 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1761360114 GJSIKWJRQKVWBR-IAGOWNOFSA-N 443.552 1.981 30 10 IDEE CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1764216375 SVNFOUFEBZPBPY-WMLDXEAASA-N 430.509 1.962 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1(O)CCOCC1 1764919029 BBQKYOYLTOAJAI-MRXNPFEDSA-N 426.525 1.149 30 10 IDEE CN(Cc1ccccn1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1767121091 YBTFRNXVXYSBLO-DQRAZIAOSA-N 444.499 1.822 30 10 IDEE CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1767794326 AFMVGSYFLPYGQZ-UZLBHIALSA-N 441.536 1.316 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1769119867 GPLNOCOSGIRYPL-BFWJOHJBSA-N 430.509 1.517 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(OC)ccc1OC 1771221633 AJOULTLMEGLYPL-CRAIPNDOSA-N 431.493 1.796 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)CCO1 1771538021 YVBJBGOOHUFZHO-ROUUACIJSA-N 431.518 1.126 30 10 IDEE CS(=O)(=O)CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1851423452 XJTKSAKTFJDHAJ-UHFFFAOYSA-N 426.498 1.504 30 10 IDEE CCc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N=c4nc[nH]cc4C#N)CC3)CC2=O)cc1 1851984701 DFHPAAWOHRQPEY-SFHVURJKSA-N 446.511 1.563 30 10 IDEE Cc1nc(=NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)c(C#N)c[nH]1 1852073371 KDWTWTSNZCUCPR-LEWJYISDSA-N 430.512 1.948 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CCC 1854400533 BWBJXMQGNGXOMX-GOSISDBHSA-N 433.530 1.700 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1=O 1856791977 LZARSFHPBUOZTR-WCQYABFASA-N 449.312 1.876 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1c(Cl)cccc1Cl 1865721788 BKESMNVJSOHRSW-GFCCVEGCSA-N 437.283 1.388 30 10 IDEE CCOC(=O)CN(C)C(=O)[C@H](CC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868795944 PDXUDSAFKVWLSU-DLBZAZTESA-N 434.562 1.941 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@@H](COc3ccc4nnc(C)n4n3)C2)cs1 1890814148 IXGIHELOBWVYII-CYBMUJFWSA-N 427.490 1.346 30 10 IDEE COc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 2041194833 ROVCUUZNRNULHO-NRFANRHFSA-N 430.482 1.240 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065457817 CBSPOKYDHJRELL-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085656861 NDHYDOJORVDHKS-OAHLLOKOSA-N 434.346 1.774 30 10 IDEE C=CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(Br)c1=O 2126911870 WOFPXSMRPHPZTI-QWHCGFSZSA-N 429.315 1.974 30 10 IDEE CC(C)(C#CC(=O)NCCn1cnc(I)c1)NC(=O)OC(C)(C)C 2215642615 KQECQWHBBBBFOX-UHFFFAOYSA-N 446.289 1.911 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224081688 SZTLABRUKUXISD-VYDXJSESSA-N 435.330 1.134 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2247546831 SJKYIKYJFPGGHW-OJLPUSQMSA-N 437.537 1.780 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247907015 UOEBIVFORDOBQA-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC(C)(C)OC(=O)NCCC(F)(F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248415645 DQDPHAZSHIGLQA-UHFFFAOYSA-N 448.301 1.748 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC(O)C1 2248433387 JYNHCNWIEUSXKI-UHFFFAOYSA-N 439.343 1.799 30 10 IDEE Cc1c(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255528481 BFMYSKYKGTYGBG-UHFFFAOYSA-N 434.346 1.813 30 10 IDEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255610525 OEZXSCOBXGWMQY-ZDUSSCGKSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)N1CCC(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2255613826 CZYMQJAXACVATJ-UONOGXRCSA-N 437.346 1.840 30 10 IDEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2255875512 YYOAJRXYWIMSKY-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ncc1B1OC(C)(C)C(C)(C)O1 2256616565 CDEVVRSHFPIATL-OCCSQVGLSA-N 436.318 1.297 30 10 IDEE Cn1cc(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267130118 KGJFOHPJENSGOD-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CON(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267164947 YMUYIYDEBAHJBM-OAHLLOKOSA-N 448.329 1.789 30 10 IDEE Cc1c(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267192775 WCBNKOCEGTZHEY-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267269570 GAWPMZZYBHXRMO-KRWDZBQOSA-N 439.369 1.851 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267291606 SGTIYWPKIGNQFH-INIZCTEOSA-N 448.373 1.595 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2267483458 SJMKABVYHUWHQT-GOSISDBHSA-N 435.337 1.569 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2267504636 VOKZEICVPNUZHU-GASCZTMLSA-N 446.357 1.658 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2268634569 JGIMGQJUXRIHHV-GOSISDBHSA-N 446.353 1.756 30 10 IDEE CC1(C)OB(c2cnc(O[C@H]3CCN(S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2285601434 WZTQMPFQFITOPJ-LBPRGKRZSA-N 447.160 1.556 30 10 IDEE CS(=O)(=O)N(CCC#N)Cc1ccc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)o1 2313656569 GKAIHITWNDNLAX-UHFFFAOYSA-N 448.501 1.749 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319677887 SKZHJMIFNFYIKF-UGUYLWEFSA-N 440.346 1.412 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N 29003276 AQAIGVFYOFBOTF-HNNXBMFYSA-N 445.497 1.994 30 10 IDEE C#CCOC[C@@H](O)CN(CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 36161566 DZFDVRXUYBROFD-CVEARBPZSA-N 433.574 1.959 30 10 IDEE C=CCOc1cc(C(=O)NCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc2sccc12 222465460 CQUZQVZPOAPURC-UHFFFAOYSA-N 425.470 1.670 30 10 IDEE CN(CCS(=O)(=O)NCCOc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 462412560 YLMBWKDWZQMBHI-UHFFFAOYSA-N 441.506 1.316 30 10 IDEE Cn1c(N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(C#N)c(=O)n(C)c1=O 500873288 WIOFPVBBKSVSEM-CQSZACIVSA-N 425.493 1.191 30 10 IDEE Cn1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc2ccccc2c1=O 505120300 NEHPELIMUBJODK-UHFFFAOYSA-N 436.493 1.557 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)NCCN(C)C 508619898 HOMLWBUITVWVCK-UXHICEINSA-N 442.564 1.445 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 508866937 NECJTSQZLJASHJ-ICSRJNTNSA-N 441.532 1.977 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3nnc(C)s3)cc21 526884673 HDAJMYXRBJYMJU-LJAQVGFWSA-N 434.499 1.328 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)CC2)n1 545461568 QBSLJEUHUOMDKE-SFHVURJKSA-N 445.479 1.691 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3nnc(C4CC4)n3C[C@H]3CCCO3)CC2)cc1 549897201 JLYPRBWBTKNTHM-GOSISDBHSA-N 442.545 1.717 30 10 IDEE C=CCSCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 580058407 HQZZZWFUJJHFIB-UHFFFAOYSA-N 427.592 1.670 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)CCN2C1=O 610776469 GBJYMLNTCALPGU-DZGCQCFKSA-N 429.502 1.372 30 10 IDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 618890153 CIYHLEIOCOCMJD-NBYUQASBSA-N 429.542 1.771 30 10 IDEE CN1CCN(S(=O)(=O)c2cc(Br)cc(B3OC(C)(C)C(C)(C)O3)c2)CC1 725440363 PKFYSCMHJJEDFV-UHFFFAOYSA-N 445.188 1.684 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 728345443 IUNUQNPJRHIWMF-SFTDATJTSA-N 428.533 1.543 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 729334088 IPRUVVRRYBIMGZ-LSDHHAIUSA-N 429.464 1.966 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 732154952 VNUSLMJFLWYLTP-NIGUIEARSA-N 437.422 1.959 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465517 HAMJDRNQTUWZSF-MGPWXQLLSA-N 435.525 1.848 30 10 IDEE CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CN(C(=O)OC(C)(C)C)C1 747963229 PRRLEXPQQPVHFM-UHFFFAOYSA-N 436.534 1.583 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 757156047 FRZMEFXEZIUWAD-PXTSUWAFSA-N 426.502 1.470 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C(=O)C2CCCCC2)C1 760915528 HZRMISNPCHBPOG-KRWDZBQOSA-N 446.573 1.803 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 761158905 KJOYLTHAICFUMU-CIAFKFPVSA-N 438.576 1.190 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 774043358 MHYPQCWGPDPBFB-OAHLLOKOSA-N 441.575 1.726 30 10 IDEE COc1ccc(Br)c(CS(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)c1 802255278 NEKAVVXRZIGFTC-VIFPVBQESA-N 428.268 1.128 30 10 IDEE COCCn1c(Cc2ccccn2)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 802399379 CDPHDDINIMMWLY-UHFFFAOYSA-N 434.504 1.974 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 803611359 GMUHCNDCCIWNKK-GOSISDBHSA-N 436.530 1.931 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 812177893 SGZJRSAUUBFRNP-ZHRRBRCNSA-N 446.552 1.879 30 10 IDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccccc3-c3ccnn3C)c2=O)cn1 814250751 YMVFDIASDYEAHH-UHFFFAOYSA-N 440.488 1.730 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)C2=O)cc1 1116951271 BSNPBQHELOQPCX-ILZDJORESA-N 440.500 1.447 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC(=O)Nc1ccc(I)cc1 1128853542 QYHJFFRAILMNBT-AWEZNQCLSA-N 429.258 1.817 30 10 IDEE N#Cc1ccc2c(c1)N(C(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)CC(=O)N2 1129604445 DTWIAQPHZVSYKV-UHFFFAOYSA-N 427.438 1.479 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3OC)cc2C1=O 1134200275 PDYJQLOIXGGCQN-IAGOWNOFSA-N 429.473 1.833 30 10 IDEE COC(=O)/C=C/c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1136149496 MVOXWKRCQPKTJN-WEVVVXLNSA-N 429.454 1.484 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCNC(=O)/C=C/c2ccccc2)cc1 1138770200 ZTZUOMCKXQAVBI-FMIVXFBMSA-N 426.498 1.172 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C(F)(F)F)CCOCC3)CC2)cc1 1141411693 IOTFKOXOKWIUNU-UHFFFAOYSA-N 431.436 1.750 30 10 IDEE CCN(C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1 1142221712 GZWIHGCLIHTOSQ-OAHLLOKOSA-N 449.554 1.850 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 1161780776 JLUUHPVLBXTZNV-CYBMUJFWSA-N 432.468 1.710 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 1177755154 XVGKDJCMFFQRQV-IRXDYDNUSA-N 439.965 1.625 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(Br)cccc1OC 1185675788 XUNRDUGACJIPRQ-LBPRGKRZSA-N 436.349 1.410 30 10 IDEE C#CCCCNC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1248473278 MVSWFTNUOLIINJ-QZTJIDSGSA-N 433.553 1.977 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1286272294 AWTKEXYNZHOTTB-OLZOCXBDSA-N 427.477 1.996 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1286386764 HDSXMYXWGJJQGW-KRWDZBQOSA-N 441.517 1.291 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1286446512 GYMKDVDZLNNDHT-IERDGZPVSA-N 435.525 1.197 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NCC(F)F)CC1 1286473749 WFBJSNWACLWCSC-SFHVURJKSA-N 430.503 1.957 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCC(O)CC2)CC1 1286474615 NRYVOYZRRZSTDE-UHFFFAOYSA-N 443.983 1.596 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@@](C)=O)CC2)CC1 1286485558 PUNMXZWYDNRFKE-FMTUJPNVSA-N 433.622 1.863 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286509203 NTDCURXUDQEQPK-HZPDHXFCSA-N 426.608 1.798 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNC(=O)C(C)C 1286549488 WEXBTENZQLLPLF-ROUUACIJSA-N 432.569 1.704 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(C)n1 1286743227 XDBBUDGVMYMLOZ-UHFFFAOYSA-N 431.504 1.755 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1286791026 RVSRYMBZAGBHDS-DOTOQJQBSA-N 444.561 1.731 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1288967073 VYLCHLPVVGVCJT-ZSDSOXJFSA-N 428.468 1.764 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)cc1Cl 1293032763 OPCJARVFFPJWHK-HGENEIFLSA-N 427.848 1.207 30 10 IDEE CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1297005078 FAYGZUNHKCBVBR-HZPDHXFCSA-N 442.586 1.412 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@@H]1C 1297188083 HZKYADIYEYBUGB-HNNXBMFYSA-N 427.509 1.070 30 10 IDEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1298024055 HGXYAELYFPSAKW-RTBURBONSA-N 428.562 1.780 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3c(nnn3-c3ccccc3)C2)c1 1298323428 DSZPUIVKBSHRRM-UHFFFAOYSA-N 425.445 1.902 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1300300944 MMORRAYIQZMWAI-ZBFHGGJFSA-N 443.363 1.740 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1300380875 JSDDZJJPCZYKRM-ROUUACIJSA-N 433.582 1.957 30 10 IDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300404409 YTNDTVLPUUPYDY-UHFFFAOYSA-N 430.516 1.882 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@@H](C)CC 1300459462 DEAGZGJTRMAGNQ-HNNXBMFYSA-N 431.566 1.612 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300499155 QDNPFGLARVRJDE-RLLQIKCJSA-N 445.589 1.952 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC(F)(F)F 1300505723 GSOPSZKVPCQSGR-UHFFFAOYSA-N 446.433 1.971 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300509182 HDUYXOVULCZEEV-OALUTQOASA-N 435.532 1.498 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1300573193 DOKVGNRFAZULNI-QUCCMNQESA-N 438.532 1.865 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1300671202 DVINZONGPQYNEJ-DLBZAZTESA-N 432.550 1.040 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300753894 DEUMNSVIQDYPCW-UHFFFAOYSA-N 447.572 1.947 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(N)=O)C1 1301482341 VOCPEGNLFHFGBJ-KBPBESRZSA-N 432.912 1.685 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301490594 BBIUOHYSZNTNHH-UHFFFAOYSA-N 435.463 1.635 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccccc2[C@@H]1C 1301584725 CPTYFCPPBHZSKY-MAUKXSAKSA-N 429.546 1.954 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1301594833 JWMQVCPRAMXDLZ-UHFFFAOYSA-N 446.581 1.461 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596036 FYWNTOMEIHSKSV-FXAWDEMLSA-N 442.582 1.535 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(F)(F)F 1301596134 IMANXXWVPCKAIS-STQMWFEESA-N 426.461 1.601 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCCCCO)CC2)c1 1303000545 PNIMGBTUYGDKAT-LJQANCHMSA-N 425.537 1.928 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(C(=O)OC)C[C@@H]1S(C)(=O)=O 1303251290 YYJBLIQYMXOTSB-NVGCLXPQSA-N 438.930 1.115 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCC(F)F 1303403626 ATPVIIUDXPTLHM-UHFFFAOYSA-N 448.478 1.291 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)s1 1303719697 KUZMKXKJCLFTLG-SFHVURJKSA-N 427.548 1.492 30 10 IDEE COc1ccc(N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c(OC)c1 1308014029 JARSSJGPPIMZGA-OAQYLSRUSA-N 429.565 1.518 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CC1 1309437624 TZWFWIOXCZKGMH-MHZLTWQESA-N 437.465 1.740 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1314138048 HYCBYHDUQDIMQI-JTSKRJEESA-N 444.536 1.600 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1358912945 BMDAVSARKZTAPC-IXDOHACOSA-N 441.623 1.745 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1358949256 WWPDWAFDWULVLZ-OAHLLOKOSA-N 438.579 1.309 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1358955969 XSFMHEAHCACMQL-MRXNPFEDSA-N 437.591 1.060 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1358987688 OWESSBZBKXMFAU-QGZVFWFLSA-N 425.514 1.090 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359293680 WZDURBUVEBRJEZ-UXHICEINSA-N 440.548 1.464 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359298382 XUJFXWWRGXQUQV-UHFFFAOYSA-N 439.442 1.470 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359342884 GVCSWHRFNJATER-ZWKOTPCHSA-N 448.637 1.880 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359630260 OJNUOMOEEWNXNY-INIZCTEOSA-N 446.577 1.848 30 10 IDEE CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1440487207 WDQOBSIGGGRBMN-UHFFFAOYSA-N 425.463 1.626 30 10 IDEE CCS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1451588531 LGNFDFHHNWZAGQ-UHFFFAOYSA-N 435.527 1.984 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1 1465259514 WLCJTIGRUYFQGP-HNNXBMFYSA-N 430.552 1.168 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3cc(C#N)ccc3O)CS(=O)(=O)[C@H]2C1 1466536781 IOUOCJYNRJWHCQ-VBQJREDUSA-N 435.502 1.873 30 10 IDEE N#C[C@]12CN(C(=O)N[C@H](Cn3ccccc3=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1469961867 QOVFOOGMDDWGST-WAOWUJCRSA-N 426.498 1.169 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1=O 1476567200 RVUQSEOJRWOJPW-CRAIPNDOSA-N 446.504 1.245 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc(C)s1 1503713469 DNNLQBQEHSHVOJ-ZDUSSCGKSA-N 440.533 1.755 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1505029291 LETVXDHSPXITEM-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2F)nnc1N1CCCOCC1 1505350669 HTEUHQYVNIRBDU-CZIZESTLSA-N 426.452 1.837 30 10 IDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507591850 UBHQKSFXAOVMMK-QGZVFWFLSA-N 436.495 1.953 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507626745 BOTJWDVBSASESK-HOCLYGCPSA-N 432.502 1.335 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507632357 ZMBFRTHVLBSWPA-OALUTQOASA-N 428.562 1.451 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2ccn(C)n2)CC1 1507728652 UJDBZCGIOWAOSF-UHFFFAOYSA-N 433.560 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@H](F)C2)CC1 1507733827 MGKOLGZHHKPLBK-WMZOPIPTSA-N 430.528 1.618 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 1507752021 UDUMJSRUONCJBV-INIZCTEOSA-N 427.596 1.214 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1507853036 GFHNCJNYDVPHJQ-WCQYABFASA-N 429.934 1.716 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOCC1 1507979696 BYUDBLYIOYIEGD-UHFFFAOYSA-N 426.569 1.797 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508080904 FTOQRTKDSKOAON-SFHVURJKSA-N 442.495 1.214 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(CCC)C(=O)C1 1508092199 AGFPPJSAHFUTNZ-UHFFFAOYSA-N 444.511 1.747 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508093840 CZIWXCXAMDGHQQ-TZIWHRDSSA-N 438.576 1.522 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[C@H]1COCCO1 1516588279 QQBWWWFRUJEJRI-KRWDZBQOSA-N 444.511 1.957 30 10 IDEE CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCSCCCO)CCN2C1=O 1517413390 ZSYQVLDOWIJKBR-SFHVURJKSA-N 441.561 1.488 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)CC1 1519208288 SGGDVIZUSHPJFU-UHFFFAOYSA-N 437.504 1.768 30 10 IDEE COCCO[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1519377464 VOLXQOOFPFNTGH-RJCBAWPRSA-N 430.509 1.314 30 10 IDEE CN1C[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)N(C(=O)OC(C)(C)C)CC1=O 1522139524 QEMGVIJCTORHQL-INIZCTEOSA-N 442.451 1.899 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSc2ccccc21 1539395875 JUCVZVMETIXYKN-JKSUJKDBSA-N 449.602 1.864 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1539431262 SLLCNMLOHUWUGD-GBXCKJPGSA-N 444.624 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N(C)C)CC1 1539484125 DDCJYGWOXWUVTP-UHFFFAOYSA-N 436.560 1.507 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539505367 JFJQQQGSUCDEFJ-UHFFFAOYSA-N 441.605 1.697 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539911061 VHJQCCATRROXHX-OAHLLOKOSA-N 426.496 1.834 30 10 IDEE CS(=O)(=O)N1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1540705042 IOAHJPDWXJKVIK-UHFFFAOYSA-N 441.351 1.251 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCCNc2ccc(C#N)cn2)C1=O 1540779845 DCHMQECVGRFYTM-MRXNPFEDSA-N 430.509 1.245 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1540889811 UNWBWKLEPSYQAK-RTBURBONSA-N 440.548 1.925 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1544755657 NFALSTGBSZGWHQ-BBRMVZONSA-N 425.518 1.747 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1545740576 AFMVXJJBWNFLIO-UIFIKXQLSA-N 447.536 1.812 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCCNS(C)(=O)=O 1554150836 YLVLZEVDYURAOT-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555263402 UECYNMCIFREXDF-OALUTQOASA-N 442.495 1.948 30 10 IDEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1558731317 VAUWHIPAJIEGDR-UHFFFAOYSA-N 427.408 1.346 30 10 IDEE C[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561555144 ASOOEFLRFLCJJD-AAEUAGOBSA-N 432.315 1.944 30 10 IDEE COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1 1561844253 CTNKOYMPWFXKOI-UHFFFAOYSA-N 428.514 1.780 30 10 IDEE COC(=O)[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccccc1Br 1584136969 DMOHPIHMIXJCKF-XNSRXUQDSA-N 436.262 1.696 30 10 IDEE COc1cc2nc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c(=O)n(C)c2cc1OC 1585917115 VNHCASADNCVKCA-QGZVFWFLSA-N 447.495 1.801 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1588002778 GIJPITAIQJRORD-UHFFFAOYSA-N 430.559 1.660 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1588034104 BDBMDXRUBUQXJI-BMQTXXJKSA-N 436.578 1.918 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1588139569 PFMKLAVRKBETNP-MRXNPFEDSA-N 438.513 1.009 30 10 IDEE Cc1oc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(C)(=O)=O 1588158178 QVFBHCLJCKWILQ-UHFFFAOYSA-N 437.499 1.010 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1588170437 GQTQUSSZHZRVHZ-JKSBSHDWSA-N 445.589 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)F 1588200099 CGGDVDFROUENQG-UHFFFAOYSA-N 431.443 1.807 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1588574936 WROGODAFTPJCMA-AEFFLSMTSA-N 446.577 1.489 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1588646957 QDHBJVUVBGBXJI-LJQANCHMSA-N 447.561 1.054 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCOC2)CC1 1588872039 WHDOAVWWQPOMAX-QHCPKHFHSA-N 425.533 1.326 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)OC 1589216743 WKMCMGPWRYRROT-JTDSTZFVSA-N 425.555 1.028 30 10 IDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1589296426 SKKCCIAHOTUEFT-UHFFFAOYSA-N 425.331 1.237 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1589528161 CYADBLXCZGBEPD-LNLFQRSKSA-N 430.553 1.515 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1594013317 FIYBRVCQQKBENH-INIZCTEOSA-N 446.577 1.795 30 10 IDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1594774545 KLFNQCDLWINNLH-ZWKOTPCHSA-N 439.582 1.727 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1594813477 UDLITBKRUQHSBO-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)C[C@H]1C 1595516886 LDGSLPUWRNFDOC-CQSZACIVSA-N 426.477 1.033 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N1CCOCC1 1603673667 GQHFXODFLAEJLQ-LJQANCHMSA-N 438.580 1.791 30 10 IDEE CCOC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1616288674 ANJQQCOWVCKPBP-CRAIPNDOSA-N 425.530 1.971 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(Cn4cc(Br)cn4)cc3)C[C@H]1CS(=O)(=O)C2 1616336203 MJNYFPJLQNMZPO-MAUKXSAKSA-N 449.330 1.704 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1618350281 HPISEWWKDXRZMO-QGZVFWFLSA-N 439.545 1.757 30 10 IDEE CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(C#N)o2)CC1=O 1618476216 KRERDFUNTHKDDD-UHFFFAOYSA-N 440.485 1.140 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1620346465 BGEXSJYDDBMIFA-PIGZYNQJSA-N 441.439 1.398 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1620347343 RYCRVEYYGKOZKJ-YWZLYKJASA-N 447.421 1.577 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)C1 1620347607 YFPHUTJNUYRGJP-YLJYHZDGSA-N 438.573 1.888 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4n(c3C#N)CCOC4)CC2)c(C)c1 1623340486 VQMDXDLXJUHDLP-UHFFFAOYSA-N 443.529 1.941 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1624815767 AACHZCFYSALZBX-KOSHJBKYSA-N 432.480 1.926 30 10 IDEE Cc1nc(CN2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)no1 1627004110 QZQHUOBABMNYIJ-JQHMZKTJSA-N 444.536 1.809 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 1631330953 OGDBXDDPMHVSEX-GOSISDBHSA-N 435.440 1.929 30 10 IDEE COC(OC)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1633875776 QDCLLJFXMHLMAP-IBGZPJMESA-N 431.514 1.982 30 10 IDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C(=O)OC 1638827906 YJQHDVUDQXIHNJ-OAHLLOKOSA-N 446.447 1.787 30 10 IDEE Cc1ccc(NC(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1 1656344112 SPZIRBSGEHTQAX-IIYDPXPESA-N 426.336 1.955 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C(=O)OC 1662439719 BQZSRTKEBIHKQE-DAYGRLMNSA-N 442.559 1.196 30 10 IDEE C#CC[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1666758900 LCTJPUIWTMCLAM-WBVHZDCISA-N 437.518 1.420 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)CC1 1671635474 ZIDCOOKNFPNECG-UHFFFAOYSA-N 432.564 1.939 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3cccc(COC[C@H]4CCCO4)c3)C2)c(=O)nc1O 1684196267 DHTFUTFDQNKJCI-LJQANCHMSA-N 439.472 1.283 30 10 IDEE CC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1685854621 SBBBVLZPDMAADV-YWZLYKJASA-N 440.566 1.603 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1690003797 YHJRFWHCGWTCJH-QHCPKHFHSA-N 437.548 1.758 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690665658 LIVLTQXGQVRTNA-HNNXBMFYSA-N 442.520 1.322 30 10 IDEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1695205944 HVAOLNBPNUKMDB-OAQYLSRUSA-N 439.564 1.890 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1705628618 LSEPTDKXLVOCCY-HNNXBMFYSA-N 437.591 1.528 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1CC(=O)N1CCOCC1 1705630479 UZHULWKURLRJEG-UHFFFAOYSA-N 441.532 1.419 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2COCCO2)n1 1705631606 KCOJJGQIJHEIKW-IBGZPJMESA-N 437.504 1.238 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C(=O)NC)CC1 1705649651 BYPXDRXDBKMZRK-UHFFFAOYSA-N 437.548 1.002 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705811132 RZNOLUSYPDGIIB-UHFFFAOYSA-N 438.492 1.412 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 1705878174 JNYUFOZZUNIGTN-QGZVFWFLSA-N 447.561 1.777 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1705901457 MDYKMEQMFGTCDE-MRXNPFEDSA-N 427.465 1.119 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1706058068 WZYGAXOTJXCIRL-UHFFFAOYSA-N 435.532 1.792 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1706058692 JODWMCKRGANGFD-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCS1(=O)=O 1706109030 VXQKKRWOOMGUCD-UHFFFAOYSA-N 445.549 1.146 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(F)F)c1 1706891486 VPCIJGVPNOMQPO-SWLSCSKDSA-N 440.476 1.603 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1710834520 MXVLAAFROZSGIQ-UHFFFAOYSA-N 428.493 1.060 30 10 IDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NC(C)C)cc(OC)c1OC 1711647542 BZHBNKVJNIQJMM-OAQYLSRUSA-N 446.483 1.937 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712885101 YVQFWKUGDPBCEH-ROUUACIJSA-N 447.490 1.349 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1712886063 HHYXUSIJICAFIX-INIZCTEOSA-N 443.533 1.490 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1CN(C(=O)OC(C)(C)C)C1 1722352574 IWBINLMSCOQDOX-UHFFFAOYSA-N 428.493 1.942 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C 1722378825 RPVNZXZHDGNZPS-UHFFFAOYSA-N 429.502 1.074 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722383002 MBQNLSSRHREAHU-IRXDYDNUSA-N 449.577 1.508 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCNC(=O)c1cccc(O)c1 1722383718 WOOSDARLLCEXQA-UHFFFAOYSA-N 428.496 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C 1722396371 YSDLBWZOXFPWGF-UHFFFAOYSA-N 438.557 1.791 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1722401241 QEDASTNOLPAMES-OAQYLSRUSA-N 427.530 1.538 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1722437679 VVLKBKBMZXTMHZ-QZTJIDSGSA-N 438.532 1.461 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722549843 AQTJVPXUCQXSSU-INIZCTEOSA-N 430.896 1.650 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722701957 IGCUVBKCTVCFLK-JOCHJYFZSA-N 426.521 1.478 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)C1 1722714487 NPNFUMPMIKMDEK-IRXDYDNUSA-N 428.468 1.788 30 10 IDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1727283220 WDOXVRWYYWTOJQ-ZHALLVOQSA-N 443.504 1.514 30 10 IDEE COCCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1730913332 FVTZTCVRVPHKHB-CRAIPNDOSA-N 429.518 1.065 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H](C)N2CCN(CC)CC2)c1 1740564115 AZQYRXFPJWHBDV-LJQANCHMSA-N 437.592 1.923 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740575930 WWLGAFYUAXDPTR-DLBZAZTESA-N 442.607 1.387 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1740608148 BELKQYUENRUXDF-UHFFFAOYSA-N 435.532 1.907 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCC(F)F)CC1 1740708145 DJMGWAXCOQIXEC-UHFFFAOYSA-N 436.507 1.358 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740834229 NYVRBKNPQWWRST-GOSISDBHSA-N 430.553 1.411 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCC)CC1 1740840195 UFKJHGMFDNHLOC-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740963373 IZDJMNWPFOAIQQ-GOSISDBHSA-N 437.552 1.689 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740963945 BQSSYVUNAHQISN-QAPCUYQASA-N 442.495 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740988269 YZEJQPWXTXXHHA-GOSISDBHSA-N 449.577 1.748 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC1 1741045043 WWNSRDKJFTWUHO-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1741801256 ZOLCFWWKZJQPGT-HNNXBMFYSA-N 429.525 1.591 30 10 IDEE CC[C@@H](C)c1nnc(N2CCCN(CC)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743724173 KRPHSCOTVOXTBL-UDJKBAMHSA-N 429.525 1.377 30 10 IDEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)C1CC1 1748413079 KRZUFZXDXAYHRJ-GOSISDBHSA-N 438.536 1.435 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cnn(C)c1 1748689597 DRVXNMANLYKFQO-RMJJICAUSA-N 427.553 1.863 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS(=O)(=O)CC1 1749657774 FNPVNFXTAGSGJY-UHFFFAOYSA-N 444.344 1.789 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1749663702 NNZJXHCMXLSYGJ-QGZVFWFLSA-N 448.531 1.525 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749676407 PJNSFFDODRVBHI-UHFFFAOYSA-N 443.515 1.159 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749720866 XFWJYSXCQRRWHY-LJQANCHMSA-N 444.561 1.858 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C[C@@H]1C 1749878241 DBRGVBLSSLPPQQ-SFHVURJKSA-N 439.564 1.888 30 10 IDEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1751179604 HAZACHKTGQDVOL-OAHLLOKOSA-N 431.447 1.988 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760119859 DXWYOFMZXKFNDK-BFQBXFRASA-N 434.500 1.884 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1ccn(C)n1 1760176292 FSPGJJGFRGZBDG-UHFFFAOYSA-N 432.576 1.688 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189109 NPAJEYGPVXMMGN-OAHLLOKOSA-N 433.534 1.679 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1760248864 FJZHRFBORQSGAR-IBGZPJMESA-N 440.548 1.538 30 10 IDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760309611 BYKKWKOLNUIDAD-AWEZNQCLSA-N 426.340 1.796 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1)C1CC1 1760477081 OUKRDYIAXFHZKX-KZNAEPCWSA-N 437.610 1.834 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(NC(C)=O)CC1 1760553611 WQJWPVRMYVEPAV-UHFFFAOYSA-N 431.562 1.959 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)C1 1767252243 HEKYJDWOJAPDIR-SFHVURJKSA-N 432.550 1.760 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1COCCO1 1767932713 RDXSYFQHCWSOFJ-SFHVURJKSA-N 427.509 1.213 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCOC1 1768216270 GWXDBKQGOVUCAL-XLIONFOSSA-N 431.518 1.246 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1769127894 JBGKQPCVVOWIDD-HFXUHXBXSA-N 438.532 1.973 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1=O 1769880272 RYHCZIIRYZDFRV-POAQFYNOSA-N 438.532 1.519 30 10 IDEE COCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770708964 FABUQRUCZOZCRN-UHFFFAOYSA-N 435.536 1.944 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCCCCO)cc1 1770740212 APTKFGPAAMTVJV-KRWDZBQOSA-N 426.477 1.532 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)CCO1 1770751492 IUVPVLRLBMSWCA-OLZOCXBDSA-N 438.460 1.423 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1771368182 GHGFKQRIXAWFQF-MRXNPFEDSA-N 430.534 1.371 30 10 IDEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(O)O)O1 1775953915 AYUKCOQZVROATE-WUQAOHFTSA-N 432.513 1.645 30 10 IDEE in-vitro COc1nc(=NC(=O)c2cc(Br)cnc2N2CCOCC2)c(C#N)c(C)[nH]1 1851146160 YPTCZVSBUHDNTN-UHFFFAOYSA-N 433.266 1.334 30 10 IDEE N#Cc1ccccc1OCC(=O)OCCN1CCN(S(=O)(=O)c2ccccc2)CC1 1851592901 RIBJWBCXTFQCTB-UHFFFAOYSA-N 429.498 1.487 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C(=O)C2)C1 1853667014 PGVIHDMOEKBPSB-VQIMIIECSA-N 430.936 1.624 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C(=O)C12CCCCC2 1854400609 DRNFXXRACOKTOS-UHFFFAOYSA-N 444.435 1.941 30 10 IDEE N#Cc1cccc(C(=O)N2CCCC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)c1 1854898543 FCYUXVWNVOZUIW-LJQANCHMSA-N 429.542 1.980 30 10 IDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1861545056 MUMNYJSVFWDTLC-YLJYHZDGSA-N 433.464 1.360 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865718304 IZRVFGJYQADTDW-INIZCTEOSA-N 440.500 1.260 30 10 IDEE CN(C)C1CCN(C(=O)[C@@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928330 USHUUCFQUOOVMH-HXUWFJFHSA-N 440.569 1.889 30 10 IDEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CSc2nnnn2C)cc1=O 1870302535 SMLAYDHYDMLAFT-SFHVURJKSA-N 440.529 1.685 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cc(C)ccc1O 1874433085 CMFGVPGXZZJKGQ-ODCIPOBUSA-N 445.530 1.998 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)cc21 1889365757 TWJDPXRUNIGGTC-INIZCTEOSA-N 428.533 1.973 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC1(S(C)(=O)=O)CC1 1902436985 XJXDQOUWLQQHDS-RBUKOAKNSA-N 436.574 1.953 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060635366 LEKJLZRRQGPJJF-XGUBFFRZSA-N 440.321 1.857 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2216949178 GTLHXHMICGPTHX-AWEZNQCLSA-N 425.335 1.840 30 10 IDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2243412039 FQQHDEGFYNBXED-UHFFFAOYSA-N 440.274 1.099 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2247546833 SJKYIKYJFPGGHW-XXUFKVEXSA-N 437.537 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405584 VHGAJLKDPOHEFQ-SNVBAGLBSA-N 440.331 1.150 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2255603772 IKBKCZXMOCFVOO-CQSZACIVSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630850 PNLYCCWHWKDIQY-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255820501 QTCMQCRFMWQSTD-OKILXGFUSA-N 434.346 1.752 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2255840693 QFVYEMURLBCUFO-QGZVFWFLSA-N 425.342 1.461 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178081 XITXEQDMUUGAEH-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE Cn1nc(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267537473 QGSLZBIHHFIJAA-RCDICMHDSA-N 446.357 1.849 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267539776 NCRXZURJDCKGOT-GOEBONIOSA-N 446.357 1.801 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c(O)cc2O)OC1(C)C 2267806048 RKYLOFPNZRSRDR-UHFFFAOYSA-N 444.215 1.148 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267871274 NIEUTEKITWMOBG-UHFFFAOYSA-N 444.341 1.859 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@](C#N)(C2CC2)C1)NC(=O)OCc1ccccc1 2286039361 MVRXRBCGXOVXHF-FXAWDEMLSA-N 435.502 1.410 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)[C@@H](C)C1CC1)NC(=O)OCc1ccccc1 2286056106 RZUNNUKXABGJIW-YJBOKZPZSA-N 437.518 1.798 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N=Cc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2294853629 VLLQYXRHVIIXOF-GHMZBOCLSA-N 428.681 1.666 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)n1 2315392815 VBXAGSOMIWTCFH-UHFFFAOYSA-N 432.330 1.576 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535075 WPWBPMVTUIYXSJ-UONOGXRCSA-N 434.346 1.847 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)cc1C 29067566 HXKZKTLUDVSVSG-UHFFFAOYSA-N 427.549 1.027 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 109935790 GSZZBXYGPQPVCS-OCCSQVGLSA-N 426.420 1.809 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)c(Cl)c1 444886616 LHPAEDLREVQIMG-UHFFFAOYSA-N 433.921 1.891 30 10 IDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cn1 460765967 GYOKHSHMCXZRPO-UHFFFAOYSA-N 438.469 1.412 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1C[C@@H]1CCCO1 460936586 QQRMGBCZTBDSGH-SJORKVTESA-N 431.504 1.896 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 461390234 QEABGEHGNFJNJJ-SFHVURJKSA-N 444.561 1.619 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1 461709500 XTFROELHFUYHGE-SFHVURJKSA-N 444.561 1.619 30 10 IDEE C[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO[C@@H]1C1CC1 467274373 WPNAGRIJFHDEGY-TZIWHRDSSA-N 432.546 1.779 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 470764018 DYEZDNSZIKKRDT-UHFFFAOYSA-N 439.488 1.701 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccccc1C#N 478846753 WIDXNCQAIAYYPK-UHFFFAOYSA-N 444.520 1.353 30 10 IDEE COCCN(CCOC)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 480103493 NJCIQFOMFCXRKN-UHFFFAOYSA-N 427.509 1.730 30 10 IDEE CC(=O)NCCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(C#N)cc1F 480739538 ZUQIGIMDMDHAHD-ZDUSSCGKSA-N 427.498 1.695 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c(C#N)cn1CCOC 481486985 ARQPGTJVKIMWPB-MRXNPFEDSA-N 443.508 1.707 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 485912816 JWABQUZKCFCIEH-ICSRJNTNSA-N 437.562 1.861 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1C#N 489011122 MMYILZHKSMUGKL-UHFFFAOYSA-N 446.554 1.446 30 10 IDEE CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 507863108 XRQUQPKXIHKRJQ-UHFFFAOYSA-N 438.513 1.981 30 10 IDEE C=CCN1C(=O)C(=O)N(Cc2nc(Cc3cc(Br)cnc3OC)no2)C1=O 514980146 VDEYBUPLGGVPNA-UHFFFAOYSA-N 436.222 1.303 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1Cc1ccccc1 531842562 ULSZHIJVBBDCIY-UHFFFAOYSA-N 427.888 2.000 30 10 IDEE COC(=O)c1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 536090772 NUBDVKQVJCUKDY-UHFFFAOYSA-N 441.509 1.811 30 10 IDEE N#CC1(c2ccc(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)cc2)CC1 538535099 PRBKYYOJJLALDV-UHFFFAOYSA-N 439.541 1.519 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCO2)CC1 559202633 BHIQERRUISUEDJ-MSOLQXFVSA-N 439.582 1.583 30 10 IDEE Cc1ccc(N2CCN(C(=O)C(/C=C3/C(=O)ONN3C)=NC(=O)c3ccccc3)CC2)cc1 585673871 VVNJMSMVTDAZNS-XAOIDXCXSA-N 447.495 1.717 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COC(=O)c2cccc(-n3cnnn3)c2)nc1C 586268619 RPRHVBNFOZGGRH-UHFFFAOYSA-N 428.430 1.566 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@H]1CCCO1 590914704 VAHBRTUJTSQPGQ-DZGCQCFKSA-N 447.582 1.113 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(CS(N)(=O)=O)cc2)cc1 609911488 KWKVDIGTUFHOBK-KRWDZBQOSA-N 430.511 1.501 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 670197772 FKWOTGSNPYAUGA-ZWKOTPCHSA-N 438.598 1.252 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670211004 HFKACUUWJFPMHA-XLIONFOSSA-N 445.612 1.761 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)cc2C1=O 673406476 AXUWAZJRNFHTTO-AWEZNQCLSA-N 431.514 1.403 30 10 IDEE CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1I 694962625 ALHQOMWVQCLCAD-UHFFFAOYSA-N 437.108 1.889 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 734292523 RWVJGUWESLKZLY-GOSISDBHSA-N 425.466 1.992 30 10 IDEE Cc1ccc2c(c1C)NC(=O)C2=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 734751204 NRILOXAJYOWETM-UHFFFAOYSA-N 428.518 1.403 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccnc(C#N)c1 747008150 PWRINEQSYNCFIZ-KRWDZBQOSA-N 435.889 1.883 30 10 IDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 756648699 YNTXMCFFZGIAIH-CHWSQXEVSA-N 447.351 1.573 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)n1 760912571 AWQOTCROQMWMPZ-UHFFFAOYSA-N 438.507 1.367 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@H]1CCCO1 767952795 MOYLCRTYCNFGOK-QGZVFWFLSA-N 429.542 1.718 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1)c1cc[nH]n1 772120120 ACEBYHKOIYEFCH-OAHLLOKOSA-N 442.476 1.274 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(NC(=O)c2ccoc2C)CC1)c1cc[nH]n1 772206554 QDCLVCVDCVWMNM-UHFFFAOYSA-N 431.449 1.016 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)n1 789192051 SEBUUVPTPRFZLV-UHFFFAOYSA-N 445.545 1.414 30 10 IDEE CC(C)c1nnc2n1CCN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)[C@@H]2C 804402255 JESFLIPQPVIAJM-OAHLLOKOSA-N 436.520 1.357 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c2C)nn1 916178808 PCUMFFXDKBCPLF-UHFFFAOYSA-N 426.458 1.501 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 918755220 XQAMYPCDEFIVQX-SFHVURJKSA-N 432.523 1.750 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)C2=O)cc1 1116951272 BSNPBQHELOQPCX-POAQFYNOSA-N 440.500 1.447 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2Cc3ccc(C#N)cc3C2)cc1 1130422592 RAASKAIINKXAQA-UHFFFAOYSA-N 443.525 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@]3(C#N)CCCOC3)C2)CC1 1136343775 JUVWOKSMXFMVIM-VGSWGCGISA-N 434.537 1.625 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1163651968 GTQIQFBYZLNGLT-HXUWFJFHSA-N 442.541 1.834 30 10 IDEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1174845277 KZFPJCYUGAEPDN-UHFFFAOYSA-N 447.601 1.370 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1178757507 SIRSBBSHBHWQDO-MRUHUIDDSA-N 437.562 1.810 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)CC1 1220470241 APRVSJHNHVHJHO-UHFFFAOYSA-N 447.492 1.308 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1286273037 DBDUWTRPQDXEEU-GAJHUEQPSA-N 443.523 1.886 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1286337105 ADRCVVURXLGJOB-OAHLLOKOSA-N 435.326 1.411 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1286404413 QHLIXBZTAKZMGP-QHCPKHFHSA-N 439.516 1.110 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1286426523 YBOZESCXIDRMRJ-UHFFFAOYSA-N 443.529 1.294 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cccs2)CC1 1286479961 JHPREKBYPHOCCU-KRWDZBQOSA-N 428.562 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(O)cc2)CC1 1286488070 KTDJCXBRACZLIZ-KRWDZBQOSA-N 441.532 1.722 30 10 IDEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286691252 XKARSJNWGDVEIV-UHFFFAOYSA-N 441.565 1.622 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1286775076 YRRZLBIWMFFMGA-INIZCTEOSA-N 447.561 1.975 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286787304 RBEKNRAJEURVAQ-OAHLLOKOSA-N 442.524 1.483 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCc2nccn2C1 1288819538 VNXYQCQSYQTAHP-NVXWUHKLSA-N 446.581 1.477 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 1299673957 DGCCJWVMGISXCM-LQAWEQHXSA-N 449.435 1.554 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)Cc1ccon1 1300294099 WJTJHVTUBQFDGN-OAHLLOKOSA-N 444.517 1.519 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)NCC2CC2)c1 1300333044 TTWFATRJBGMFBI-UHFFFAOYSA-N 445.527 1.866 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccc(C)n(C)c2=O)c1 1300336432 IGBPOYZEJWAGBI-UHFFFAOYSA-N 448.527 1.926 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1300362921 BFUHRSPOJRHKIS-OALUTQOASA-N 449.621 1.972 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1300381834 WLLJZYBIONVOED-UHFFFAOYSA-N 425.493 1.070 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1300412378 XFNBJLHWKTYYJW-IAGOWNOFSA-N 446.552 1.667 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([S@@](C)=O)CC2)CC1 1300709933 LRQZXYHDCDQYPA-WJOKGBTCSA-N 443.573 1.532 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300755611 YRDDXBWZEZGUKV-INIZCTEOSA-N 436.607 1.747 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1300990317 JGWMODCUJAOHNA-GOSISDBHSA-N 425.599 1.693 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1301412858 LCUIXZUWOQZMCE-GOSISDBHSA-N 435.550 1.993 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC1 1301773154 WHWWFESYZHDOQW-UHFFFAOYSA-N 447.499 1.975 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1303065310 AVFNQKOFIKZFGB-INIZCTEOSA-N 431.541 1.277 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1309052885 FSFHOJCBRFRFFW-NSHDSACASA-N 436.353 1.271 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)c(Br)c(F)c2)CC1 1310868933 BVTDTHBPAHDSIE-UHFFFAOYSA-N 433.303 1.514 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1316256864 JLFWXYRNYFWUBB-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1316264665 OCUTYGDVZGXXNC-UHFFFAOYSA-N 448.531 1.905 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccccc1OC 1316296921 DIWDFPPUZRINCV-BJLQDIEVSA-N 427.505 1.982 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1358889937 JFLALRFDOVSKDK-FUHWJXTLSA-N 429.546 1.377 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1358920084 ROQGOIXDNFGUFP-SJORKVTESA-N 439.582 1.324 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358965523 WUDPVYMAJJKOMC-HXUWFJFHSA-N 442.589 1.377 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359126376 NSEMSGAONQWJGM-GVDBMIGSSA-N 427.571 1.344 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359132247 RJZKEEMUBXEFCO-INIZCTEOSA-N 433.557 1.452 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359336328 MFMLTSSYQPBDBC-QGZVFWFLSA-N 439.582 1.425 30 10 IDEE Cc1nnsc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1360958710 SCHOLVGLYKCFGU-GFCCVEGCSA-N 449.338 1.983 30 10 IDEE C[C@H](CC(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1452463699 KIKJVIATRZHLGI-QRWLVFNGSA-N 449.573 1.578 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)C1 1464493500 DPXXHTYMKUTPMH-CYBMUJFWSA-N 448.372 1.836 30 10 IDEE C#CCN1CCCN(C(=O)CNC(=O)c2ccccc2I)CC1 1465276971 MZINZTCEUYXBOP-UHFFFAOYSA-N 425.270 1.189 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3cc(Cl)ccc3F)c3c2CCC3)CC1 1467813963 HCNBYAUEMHIEBQ-UHFFFAOYSA-N 443.910 1.661 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)CC1 1467859906 RPZJFAONAPDRQJ-UHFFFAOYSA-N 447.605 1.213 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 1469509484 JAUDNACFYHKSHG-UHFFFAOYSA-N 431.555 1.399 30 10 IDEE Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1492781007 JEOJFYNNUPZYIQ-HNENSFHCSA-N 444.517 1.153 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@H](C)O1 1494235383 GJGQQLBHGPFGEE-HOTGVXAUSA-N 430.534 1.466 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1503871704 APHUUIWAEIPDAC-IERDGZPVSA-N 443.529 1.596 30 10 IDEE COc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C 1504404879 DUCCOXXXSCUJDT-UHFFFAOYSA-N 447.499 1.501 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1507653930 SXYAITBSLYICMP-PKTZIBPZSA-N 433.556 1.860 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN(C)C(=O)OC(C)(C)C 1507657242 PDHHODXVJXLXOT-UHFFFAOYSA-N 428.537 1.730 30 10 IDEE 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CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C3CN(c4nccnc4C#N)C3)ccc21 1849699518 KBPQMWYHGOLSKV-UHFFFAOYSA-N 426.502 1.157 30 10 IDEE C[C@H](CCC#N)N1CCC([C@H]2CC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1853944159 YUFWHRLWFJNKKR-WBVHZDCISA-N 436.578 1.190 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C(=O)C1 1855296301 XWUQSQZLQAGOES-SFTDATJTSA-N 426.542 1.809 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1CCOCC1 1870741988 MDECAMKOUKBDER-UHFFFAOYSA-N 441.484 1.671 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2C(=O)N2CCC(CO)CC2)sc2c1CCC2 1872678906 QJRSHDJUSNBLNR-UHFFFAOYSA-N 431.474 1.353 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1cc(Br)c(F)cc1F 1891808918 ZSTCKDPZBQRTIL-UHFFFAOYSA-N 444.261 1.898 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1892025296 JDIXDOOJJCBZEJ-UHFFFAOYSA-N 442.379 1.785 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1984993554 YSTLXPZZRKLFPF-CABCVRRESA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2244282280 CJIIFFQFKSTGCN-JLTOFOAXSA-N 428.530 1.965 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2246499972 VSTWSOPQOROJTA-XUVXKRRUSA-N 428.533 1.983 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2ccc(I)n[nH]2)C1 2247555364 CXVCMDIWNIQLGS-UHFFFAOYSA-N 442.257 1.748 30 10 IDEE C[C@@H]1C[C@]1(CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416491 SVOYKZZLTZFDGH-NSPYISDASA-N 438.359 1.749 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2255542366 QJZMALGZZIDPBZ-LSDHHAIUSA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255708883 OVFDFJZKKYUHMN-LSDHHAIUSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255813760 QVBRSPZWWYCPMV-UHFFFAOYSA-N 436.314 1.681 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255875854 FTCYUXOZGDELAQ-STQMWFEESA-N 435.334 1.100 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cc(Cl)ccc2O)CC1=O 2329013310 PQPFNBVSSRCDIA-LBPRGKRZSA-N 436.925 1.821 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2334263670 ZXDXSHRGSVCBMH-IMJJTQAJSA-N 444.341 1.761 30 10 IDEE COc1[nH]c(=NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339788320 NBAPAKXOQNOSSC-GDBMZVCRSA-N 449.357 1.451 30 10 IDEE C#CCn1ncc(N[C@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(Br)c1=O 2355694177 WJHQKQSBQCTDML-UBHSHLNASA-N 439.310 1.685 30 10 IDEE CS(=O)(=O)C1(C#C[C@]2(OCC(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)CCC1 2367787405 LNNGUKXUILQPFQ-LAUBAEHRSA-N 435.498 1.886 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371194893 BGRDIMITOVVMFR-RXVVDRJESA-N 434.514 1.365 30 10 IDEE CN1C(=O)N(C[C@@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C 836095 GFUITADOEPNRML-IAGOWNOFSA-N 436.553 1.990 30 10 IDEE in-vitro N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(Cn3ccccc3=O)cc2)cc1 108888401 XEIOAUKKXKJUDX-UHFFFAOYSA-N 435.505 1.999 30 10 IDEE CCCCOc1c(OC)cc(/C=N/NC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 169884291 MJKJYHSKSVVQIK-KGENOOAVSA-N 439.538 1.913 30 10 IDEE NC(=S)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc([N+](=O)[O-])cc1 254306992 CUBWLRUJTSEZTO-HNNXBMFYSA-N 443.401 1.423 30 10 IDEE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COP(=O)(O)O 257385507 BGSOJVFOEQLVMH-KSKPGIFSSA-N 442.445 1.899 30 10 IDEE Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433421934 JVABVFQLRLRPAC-QGZVFWFLSA-N 444.517 1.682 30 10 IDEE CS(=O)(=O)Cc1nc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 441168601 NEWJYDFADNUFMC-UHFFFAOYSA-N 440.572 1.066 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC2CCN(CC)CC2)cc1 442241420 LCIAEKXHXDWLLF-UHFFFAOYSA-N 436.578 1.670 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n(C)n1 444099881 KAHAEADZNKQVGG-PMACEKPBSA-N 435.532 1.669 30 10 IDEE CN1CCN(C(=O)c2ccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2)CC1 462096032 GOOQYPZNNGRITA-UHFFFAOYSA-N 444.499 1.848 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2C[C@@H]2CCCO2)cc1 505698879 CZECNUIYCNRQBZ-SFHVURJKSA-N 448.548 1.825 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 508948193 ZHSPHODGTLYJFQ-GOSISDBHSA-N 449.533 1.072 30 10 IDEE CN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C1(C#N)CCC1 521385756 LVFBQBGPJZIUIN-UHFFFAOYSA-N 428.308 1.707 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)CCC2CCCC2)CC1 522596323 AZXDWTYWYHPJLW-UHFFFAOYSA-N 432.546 1.478 30 10 IDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 523623422 GKSJCSZXCQCRFV-CYBMUJFWSA-N 427.910 1.634 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC 543658204 WQBBTVIELAUBLR-UHFFFAOYSA-N 444.513 1.192 30 10 IDEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)CC2)n1 546804099 LJHORHPVQKKATK-UHFFFAOYSA-N 444.499 1.747 30 10 IDEE CCn1c(=O)c(C(=O)CNc2ccc(C#N)cc2OC)c(N)n(Cc2ccccc2)c1=O 547414446 DIRYSIDJRIHYHM-UHFFFAOYSA-N 433.468 1.835 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCOC2)CC1 549672732 QJTYRWUBYNCPAN-FQEVSTJZSA-N 438.576 1.968 30 10 IDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCn1cnc(C#N)n1 552679296 XVUJSKPAFTWBAG-LLVKDONJSA-N 426.296 1.138 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 561548818 MSXSAGSXGDRUOP-CVEARBPZSA-N 427.482 1.764 30 10 IDEE CCOC(=O)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1C2CC3CC(C2)CC1C3 568890836 YYRNXNJUUKTOGG-AVGKFFPGSA-N 425.551 1.297 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCO3)CC2)c(F)c1 573581631 LTMQNZZMHJERSJ-XLIONFOSSA-N 442.495 1.882 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1CC(N)=O 574013398 QRBHTNUFFVPSPQ-UHFFFAOYSA-N 437.521 1.056 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)NCCc3ccccc3)cc21 586355880 LPGATYFUOLLMDN-WJOKGBTCSA-N 440.521 1.888 30 10 IDEE CS(=O)(=O)c1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 610367689 KTROAZFPUAGNPB-UHFFFAOYSA-N 449.554 1.347 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@@H]1CCCO1 610928993 GVTRAWZUDWFCSO-ZDUSSCGKSA-N 435.958 1.585 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c(C)c1 730143838 WUHXITSXCRQNQK-GOSISDBHSA-N 445.589 1.581 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccnc1N1CCC(CO)CC1 734358174 AZIMYCKSBRNVLC-UHFFFAOYSA-N 443.529 1.358 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCNC(=O)c1cccc(Br)c1 742248567 DKFFJYVDYKSASG-ZPHPHTNESA-N 449.305 1.602 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2ccnc(C#N)c2)c1 747010847 ALZRWFHGNDMSFG-UHFFFAOYSA-N 430.486 1.397 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCc1ccn(C)n1 760453678 JELFPPRBAJPMMC-IBGZPJMESA-N 442.589 1.971 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCC(=O)OC)c2=O)cn1 772283103 XGHHXWDEHBADOS-UHFFFAOYSA-N 426.498 1.032 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)CC=C)cc1)[C@H]1CCS(=O)(=O)C1 774034920 IZZVOMZFTRHTPP-INIZCTEOSA-N 425.532 1.147 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(CCc2cccnc2)c1=O 782752384 YJLWGGYBYYYDLO-UHFFFAOYSA-N 441.314 1.070 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCOc3ccc([N+](=O)[O-])cc32)CC1 788427798 HLUFKTRQPNNPRH-UHFFFAOYSA-N 446.489 1.525 30 10 IDEE COC(=O)C[C@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 789718075 YUFAKXKPCKWGGB-FQEVSTJZSA-N 433.461 1.459 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 801149264 FXWJSZDBPLOHLN-SFHVURJKSA-N 441.509 1.008 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 809926651 OIABRKJZVPUMDL-HNNXBMFYSA-N 435.529 1.234 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 914594483 BOLPUYAKJOCEIH-QAPCUYQASA-N 434.514 1.827 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)s1 917799965 UBVVMCSZMSGRJK-UHFFFAOYSA-N 447.545 1.661 30 10 IDEE CCc1cccc[n+]1/C(C(=O)c1cc(C(=O)OC)co1)=C(/S)NCCN1CCOCC1 1115995756 IHLIAHWDSPYRHU-UHFFFAOYSA-O 446.549 1.777 30 10 IDEE Cc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc(C)c1C#N 1125092768 YFAODXMIGXVRPO-UHFFFAOYSA-N 427.530 1.452 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1131941555 WNCXWCOCCYQTJH-KRWDZBQOSA-N 438.546 1.649 30 10 IDEE CC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(Br)c1 1134428964 JFMRYQIAGYCAEM-YSVLISHTSA-N 440.319 1.023 30 10 IDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1165489186 JHHJUYYMMDLDSO-IBGZPJMESA-N 425.489 1.324 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1)c1ccc(Cl)cc1F 1252479594 PMSWSAMLRSWLAI-KRWDZBQOSA-N 431.917 1.847 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1286281382 FXGNFSYLTZRKKI-IRXDYDNUSA-N 441.532 1.915 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286381674 OXMHAAKWDRBMOW-KRWDZBQOSA-N 447.561 1.607 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1286788043 OUSGDAFMLKSAFJ-QZTJIDSGSA-N 445.545 1.060 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2CCOC2)CC1 1286789486 DXWHVLLZBLTMGM-LJQANCHMSA-N 427.553 1.695 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)C1 1286810400 QTDZJSWINQRCIL-IRXDYDNUSA-N 441.623 1.010 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)CC1 1286832503 UNPBANUFVQLALB-INIZCTEOSA-N 425.624 1.774 30 10 IDEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCS(=O)(=O)C1 1290644805 XWNVGCMHLZKMNS-FZTQNYJHSA-N 425.551 1.809 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1294846442 CDNVBNIXNGGEFS-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cn(C2COC2)nn1 1300276967 TZJQMQBMTTYBKB-GFCCVEGCSA-N 445.325 1.715 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300484595 QRBRIVFZHMFTDL-NVXWUHKLSA-N 439.582 1.716 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300497174 XRVNZBNATYZBCF-QGZVFWFLSA-N 435.594 1.867 30 10 IDEE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1300634227 PHEIZNLVPCASNM-WBVHZDCISA-N 428.514 1.629 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300766657 ICZNBSIXRSASME-SFHVURJKSA-N 448.618 1.396 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300777747 BTZNXAHGANOSQQ-QRWLVFNGSA-N 432.550 1.311 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301019319 SYLQSCWMOMHICV-HZPDHXFCSA-N 447.989 1.759 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301033531 DZJDCSPJZARUBI-MRXNPFEDSA-N 432.960 1.564 30 10 IDEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)C1 1301202752 PXRRUJNCSLSFKM-UHFFFAOYSA-N 431.566 1.791 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301207570 ZPHXOIRTRCUQCC-INIZCTEOSA-N 446.577 1.829 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1301356604 BYUCPKIAAFYQTB-ZDUSSCGKSA-N 436.567 1.319 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301501302 UYCFHVQQWNTVFC-MSOLQXFVSA-N 445.568 1.404 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1301515646 WKOQLKKDKXWPGY-KRWDZBQOSA-N 438.488 1.420 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1302100270 XVQYYZDDGVUNSZ-QRVBRYPASA-N 436.557 1.232 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1302450747 CHAVDVCLRMPXRT-SSEXGKCCSA-N 428.562 1.936 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CCN1S(C)(=O)=O 1302879675 PCOGHWAGOHTRDN-INIZCTEOSA-N 442.545 1.634 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1C 1303897723 BICRXOHEWZCXFM-SFHVURJKSA-N 427.530 1.952 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1305266287 JWACQCZTILHJHW-MODMUFLJSA-N 443.552 1.498 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1305780585 JTQDFPCFVUORSP-IRXDYDNUSA-N 448.545 1.816 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 1309855699 ZLMMUPGGCRJBFY-UHFFFAOYSA-N 446.533 1.686 30 10 IDEE C#C[C@H](NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C1CCOCC1 1313042709 IRDSSWLVQCSRCI-HNNXBMFYSA-N 425.473 1.413 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3CC)CC2)C1 1313280962 BXCTWXNTHNWSGB-TZIWHRDSSA-N 426.561 1.968 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(Cn4cncn4)CC3)n2CCOCCCO)cc1 1316530745 MQRDHZXAGITBFE-UHFFFAOYSA-N 436.520 1.724 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 1316535814 BHIUJTFFIRXAGY-SFHVURJKSA-N 442.545 1.457 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358958325 LOPAQTNVEHJFJF-YJBOKZPZSA-N 431.562 1.956 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358960186 YYMHMDGHILUXQF-GOSISDBHSA-N 440.529 1.362 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)nc1 1358977476 MZPUBARPNVJTRY-FQEVSTJZSA-N 431.544 1.982 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NCCC 1358987885 WBOKRDFDFDSHEF-UHFFFAOYSA-N 441.557 1.728 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359297648 XGKDWWCLRHXYDM-SFHVURJKSA-N 435.536 1.767 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC2CCOCC2)CC1 1359302832 VMEIGBNRAQYWNP-UHFFFAOYSA-N 439.564 1.115 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1441069384 PRVOJVRIPMMMBX-RTBURBONSA-N 434.581 1.838 30 10 IDEE COc1ccc(OC)c2c1CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C[C@@H]2O 1441104130 XQWFYAHOVPDSIH-INIZCTEOSA-N 434.445 1.830 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)s1 1443385425 LKBCGJLJABIZKO-OAHLLOKOSA-N 445.632 1.819 30 10 IDEE C=CC1(CC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1443474616 AIIHZXRUACXIAC-UHFFFAOYSA-N 434.581 1.956 30 10 IDEE 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441.488 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1595831920 ZLKTXHAMAVRYBM-UHFFFAOYSA-N 443.573 1.627 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCOC2)C1 1597629231 BIMNCAFKKXHMKC-NCOADZHNSA-N 432.525 1.814 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1ccncc1 1616922510 CCZGESUODRFWKM-QGZVFWFLSA-N 433.520 1.829 30 10 IDEE C#CC[C@]1(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)CCCN1C(=O)OC(C)(C)C 1625115401 IHQKVOWRWCIVKY-OAQYLSRUSA-N 448.545 1.984 30 10 IDEE C#C[C@@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1625165502 OLASIPYKBIVWGU-ZDUSSCGKSA-N 429.429 1.604 30 10 IDEE C=CCN(CCc1ccccc1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1627404228 PLAMPQXCUQXTPA-UHFFFAOYSA-N 435.933 1.975 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(C2CS(=O)(=O)C2)C1 1628115020 SLWKZUTUTNASAM-UHFFFAOYSA-N 443.319 1.601 30 10 IDEE COC(=O)c1coc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1631924615 FHIXVJYGOLYCAF-UHFFFAOYSA-N 434.474 1.377 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1632874489 GUFJKXXBEOPILN-GDNBJRDFSA-N 437.325 1.088 30 10 IDEE C#CCC1(O)CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1633141359 XDZIKTOJRFIPNO-UHFFFAOYSA-N 429.336 1.446 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)C2)C1 1636855503 OQVQDNBYGOUZIH-XXUFKVEXSA-N 442.520 1.664 30 10 IDEE C#C[C@@H](NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(Br)cc1 1637663526 UCLDWMTZCFYQEB-RTBURBONSA-N 448.361 1.953 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)C1=O 1640521510 XTJOVAXNSGIRLS-CALCHBBNSA-N 442.516 1.231 30 10 IDEE C#CCN1CCN(C(=O)CN2C(=O)[C@H](c3ccccc3)N(Cc3ccccc3)C2=O)CC1 1640834575 MXVGCLVKIYDBET-QHCPKHFHSA-N 430.508 1.970 30 10 IDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1650697979 AMLKPTNYHLCZPM-XJKSGUPXSA-N 435.864 1.375 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1655158293 WPYBWSLIESOELF-AQNXPRMDSA-N 438.546 1.925 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1 1665304454 AFDKZVKTXWSJNV-UHFFFAOYSA-N 429.564 1.340 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 1672161075 XCUISPZSOWQBBP-LJQANCHMSA-N 434.493 1.693 30 10 IDEE N#CCNC(=O)CNC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1686403206 QYGJBXMPHXZWPG-KBPBESRZSA-N 429.374 1.011 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1689998305 INRGQNCPOHRQJU-HXUWFJFHSA-N 448.575 1.272 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1690077774 WLAFDYXZVRHPHB-INIZCTEOSA-N 448.545 1.714 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1690104400 VPOFBMZVSUFZJG-IBGZPJMESA-N 426.521 1.148 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1690122158 IQDVUCCLLHYBAJ-MOPGFXCFSA-N 427.597 1.495 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1690255567 STSWUIQNEFUTMW-VYMYIBDJSA-N 433.553 1.650 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1690671093 OWZWFXQGLGEAIA-CEXWTWQISA-N 446.596 1.996 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690675078 OYZLEIVZPRZYEA-IBGZPJMESA-N 440.548 1.297 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)C1 1691282644 RGRUVSDKPYXTPV-VKQVCWQJSA-N 447.515 1.769 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1705564429 ODBSFXMVEAJNMJ-CEXWTWQISA-N 430.530 1.112 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1705566108 XTEGJMOCOVJICJ-SFHVURJKSA-N 433.578 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1705595772 FYSFFAUAGJEOPK-UHFFFAOYSA-N 443.529 1.436 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1705612757 ONPVTOVUKPYLRV-KRWDZBQOSA-N 430.530 1.849 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705694267 QAJFNNPIQJWZAX-ULQDDVLXSA-N 437.566 1.119 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)Cc2ccccc2)CC1 1705762678 FTXURQQORDJNMD-KRWDZBQOSA-N 446.577 1.703 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705894781 LBEAZIQHHZTTCA-QFIPXVFZSA-N 441.536 1.869 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC=C(Br)C1 1705907275 GNCVISULTAYXRZ-UHFFFAOYSA-N 434.342 1.931 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2)C1 1705914671 DHTBLFAGFUOQLZ-YJBOKZPZSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705934125 BSSSPEIDBCFEAE-UTKZUKDTSA-N 447.561 1.634 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1706069793 HPKOPKXGXXSXOG-CABCVRRESA-N 434.566 1.760 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1706463481 RKBIIYJKERYPIZ-BBWFWOEESA-N 442.561 1.908 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1712696546 FGWKXIDUMPTPLS-HNNXBMFYSA-N 441.460 1.710 30 10 IDEE C#CCCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722323290 SMKZLZMFZHZSCX-DENIHFKCSA-N 433.553 1.464 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722381912 WAFGMXZYJBLUIX-LLVKDONJSA-N 439.829 1.756 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)c(OC)c1 1722382663 JFJVTFSUEJNZJG-LJQANCHMSA-N 426.542 1.813 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)=O)C1 1722398378 XAWRUQOPXPCPFA-GOSISDBHSA-N 436.516 1.727 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCS2)CC1 1722432695 YXBIFFOIUJBYQL-KRWDZBQOSA-N 425.562 1.966 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1722446282 COKOUOLOXRENIE-SSEXGKCCSA-N 433.534 1.393 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCn2cncn2)CC1 1722448387 BDURUDIUVSYPAH-UHFFFAOYSA-N 432.532 1.435 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722453410 SFCIPVYNBWEWRX-UHFFFAOYSA-N 447.609 1.511 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N(C)C 1722468293 ISXYIDSYNZYIQM-UXHICEINSA-N 439.582 1.202 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1722485745 QWDWOMXVMQTTFO-AWEZNQCLSA-N 431.356 1.872 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722576052 IDXCSRVOTDDRDX-OAQYLSRUSA-N 432.546 1.906 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)CC1 1722583633 SJALZXJOJIUJIX-SFHVURJKSA-N 431.562 1.813 30 10 IDEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1722704523 JOEFVAUWZXLXJE-OAQYLSRUSA-N 448.527 1.828 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC(=O)N(C)[C@H](C)C1 1722725545 NAFAATOUXUFDOP-CQSZACIVSA-N 437.953 1.866 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2CCCO)cs1 1725410572 HIWABXSKXPORCC-QZTJIDSGSA-N 431.566 1.209 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC(=O)N1C 1726722542 IYSGWXYMBRDEHU-KSFYIVLOSA-N 440.504 1.201 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1(C)C 1726760366 MEWGXVILTCOOHL-YOEHRIQHSA-N 437.504 1.809 30 10 IDEE CCOC[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1729100956 OSUNFGHQOJJNJN-HOTGVXAUSA-N 433.534 1.946 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1729669050 BALFHTYZIGZYTN-UHFFFAOYSA-N 447.499 1.802 30 10 IDEE COCCOCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1730915728 XCMMUGHSYGAKQO-KRWDZBQOSA-N 449.533 1.130 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1740693066 SMCGCJAQCGTJBX-XXBNENTESA-N 446.596 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCc2cnn(C)n2)CC1 1740708109 BYQOTWRBNMAOTR-UHFFFAOYSA-N 438.580 1.738 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCCN2CCOCC2)CC1 1740708505 RRLXUOBTNKZZRS-UHFFFAOYSA-N 428.581 1.309 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740957579 SORBSQIBFPEVCZ-UHFFFAOYSA-N 448.487 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740987954 OZJHIDKZSUUAHZ-OAQYLSRUSA-N 449.577 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C)C1 1740988866 RUDDRPNELHWPCZ-HNNXBMFYSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740991644 AUKNKQLRSZMZFO-DLBZAZTESA-N 439.582 1.268 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1741128549 XUBFYQNNCSXYLQ-CQSZACIVSA-N 435.506 1.331 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCc2ccco2)CCOC1 1741713175 FRIVKMOUDCOLQE-KKSFZXQISA-N 430.509 1.966 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1741982746 XTYWOZFUXXZPKO-DLBZAZTESA-N 432.500 1.864 30 10 IDEE CCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1746502898 GGZJNJOFKYDXGP-QFIPXVFZSA-N 439.495 1.754 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1748972077 BTDQHMIDESAORK-JTSKRJEESA-N 425.537 1.478 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749019637 BTYBYKXELFYEHX-CVEARBPZSA-N 439.545 1.254 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749669423 KOLHGIHRQFALSB-LJQANCHMSA-N 444.580 1.559 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)C1 1749696935 FQPOXEVHNOBFAA-BEFAXECRSA-N 447.561 1.748 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC=CCO2)CCO1 1750386724 MIDOQDYXWIJEOO-MSOLQXFVSA-N 442.907 1.935 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760114859 VAJHWSDIKOBCHA-MJGOQNOKSA-N 435.532 1.036 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1760136768 BQJFVIWJCRCWJQ-PXNSSMCTSA-N 439.582 1.420 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1760219570 IDSMYVGNZYTFDR-KRWDZBQOSA-N 439.607 1.217 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2(O)CCCC2)n1 1760251701 DZLWYGSITHHRFV-UHFFFAOYSA-N 436.520 1.523 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC1 1760257952 CUHKHYVTQRWOLB-UHFFFAOYSA-N 431.544 1.878 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1760280791 JAOYOJZURUEJTQ-INIZCTEOSA-N 439.607 1.358 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCS2)CC1 1760402529 MJONCVAIIUNNDK-DLBZAZTESA-N 441.623 1.909 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1OC 1760461482 VTLFSWGGZCJHHN-DOTOQJQBSA-N 434.566 1.912 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1760533395 FXMPOIPXFZPANC-IAGOWNOFSA-N 437.566 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760554449 DUDMPNDIOUCIMD-INIZCTEOSA-N 446.639 1.871 30 10 IDEE Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1761751567 WIGBSYNDIGWZEZ-ZZEZOPTASA-N 426.477 1.582 30 10 IDEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)n1 1762675429 DWRBEUNGHJBYJM-QGZVFWFLSA-N 441.517 1.764 30 10 IDEE CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1764569469 DVUTWGVMTFMMAL-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)c1=O 1766967035 HBNTWZKDMHONHS-INIZCTEOSA-N 449.515 1.659 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CCO1 1767707231 HGQAKHISIBLAKL-JPYJTQIMSA-N 438.532 1.709 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1C(C)C 1767855861 DRLKRYJHKJHBHW-SFHVURJKSA-N 432.550 1.903 30 10 IDEE Cn1cccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1769043088 FKOFWVKEKFVKGU-IBGZPJMESA-N 432.550 1.353 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1769309558 UZOCOQRZZXYVSI-UHFFFAOYSA-N 446.471 1.277 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2Cl)nnc1N1CCOCC1 1770830747 AWVUKJRBSRRFLO-ZPHPHTNESA-N 428.880 1.962 30 10 IDEE CC(=O)N[C@](C)(C(=O)ON1C(=O)c2ccccc2C1=O)c1ccc(S(C)(=O)=O)cc1 1772790952 WCTPOCZINDYNCL-FQEVSTJZSA-N 430.438 1.196 30 10 IDEE O=C(NCC#CCN1CCOCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1850019611 BWZMMZSXJUEKFH-LJQANCHMSA-N 439.965 1.335 30 10 IDEE Cc1ncn(CC(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(=O)c1C 1852110841 ACJNAESJFCKZSE-HXUWFJFHSA-N 426.473 1.055 30 10 IDEE NC(=NOCCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 1853584173 DGLSLGXXHOJHLO-MRXNPFEDSA-N 442.438 1.582 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1853745977 FHBHOUGQZDVVAK-IBGZPJMESA-N 433.530 1.612 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](N2CCN(C(=O)C3CCCC3)C(=O)C2)C1 1854321773 QCNLMAAVRAUEDL-SFHVURJKSA-N 430.530 1.182 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1 1855713278 YYDWAAIQCBWGJM-DOTOQJQBSA-N 436.509 1.199 30 10 IDEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1871133398 INLHPXBEOHHWCU-UHFFFAOYSA-N 438.484 1.777 30 10 IDEE CC(=O)NCc1nnc(SCCCO)n1/N=C/c1cc(Br)ccc1O 1874435218 SZDLAFSLWZCJNW-QGMBQPNBSA-N 428.312 1.739 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN3CCOCC3)SCC(=O)N2C(C)C)cc1 1889265544 ZJDPJRVNFCJCGM-YADHBBJMSA-N 445.585 1.541 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1889639928 PLPBZUDINZXMRS-UHFFFAOYSA-N 444.601 1.757 30 10 IDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC(CN(C)c3ncccc3C#N)CC1)CS2 1891398550 QBQOHDYFXZFRTG-SFHVURJKSA-N 438.557 1.915 30 10 IDEE COCCCn1c(C(=O)Nc2ccc(OC)c(C#N)c2)cc2c(=O)n(C)c(=O)n(C)c21 1891493951 QJUOFEQXKMDYLW-UHFFFAOYSA-N 425.445 1.208 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2009980434 WFTQSFLBMDGQRW-GJZGRUSLSA-N 439.509 1.826 30 10 IDEE COC(=O)[C@@H](CC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2010405619 JWPZLZUXIRQMCK-CQSZACIVSA-N 426.319 1.993 30 10 IDEE C#CCn1ncc(NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1=O 2162325310 VHOHKGCJPAOKOS-UHFFFAOYSA-N 441.326 1.813 30 10 IDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2211148935 NHULYLUDADJNRX-QKPAOTATSA-N 425.526 1.752 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)C1 2247572363 VJQHZVDQTNSKFC-OJLPUSQMSA-N 437.537 1.780 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628664 LAIQMHOFBLZIGM-QWRGUYRKSA-N 430.236 1.381 30 10 IDEE COCCN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255824045 AGPNWNMWFFFLBT-UHFFFAOYSA-N 438.334 1.322 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864385 VMYCLKOSRKSGSY-OAHLLOKOSA-N 435.330 1.680 30 10 IDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)CN(C)C(=O)OC(C)(C)C 2255876733 PYXMFYFZKOPNGZ-ZDUSSCGKSA-N 437.350 1.347 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 2255877421 YBOXZJXVCDVREY-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256628091 DVENYDFGJSHKAB-WMLDXEAASA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2257488059 BJRMNQKOOSCKSZ-MRXNPFEDSA-N 438.305 1.627 30 10 IDEE Cc1cnc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267114351 HGQKTLYRXYMZIX-LJQANCHMSA-N 441.259 1.972 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](N)C(F)(F)F)cc2Cl)OC1(C)C 2282414444 SQOYEXSSCRLOSO-MRVPVSSYSA-N 434.698 1.869 30 10 IDEE C=CC(C)(C)[C@@]12C[C@H](O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 2297748954 HHLNXXASUKFCCX-TZYHBYERSA-N 435.484 1.659 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCC2(O)CN(C(=O)OC(C)(C)C)C2)[nH]1 2315388508 RGEKXIXGAVYHSH-UHFFFAOYSA-N 433.358 1.895 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2315529338 UFDSKLOEOPYAHI-KBPBESRZSA-N 434.346 1.610 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2315538763 NBGRUSVYKGILNC-KBPBESRZSA-N 434.346 1.752 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)c(OC)c1 2330717993 YVMXXJWCTZSICW-UHFFFAOYSA-N 448.549 1.774 30 10 IDEE CCCCOC(=O)N[C@H](CNC(=O)C[C@@H]1CC(c2ccc(C#N)cc2)=NO1)C(=O)OC 34526778 FTQRLUOLHGFRQY-FUHWJXTLSA-N 430.461 1.625 30 10 IDEE CC1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C#N)c(=O)[nH]2)CC1 223968362 FWBBQVIYDLDLLI-UHFFFAOYSA-N 443.529 1.566 30 10 IDEE Cc1ccc(-n2[nH]c(C)c(NN=C3C=C([N+](=O)[O-])C=C(S(=O)(=O)O)C3=O)c2=O)cc1 255996172 QCDOPEWKKYXWJS-UHFFFAOYSA-N 433.402 1.065 30 10 IDEE Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)n2)cc1 409595431 PVAPNXUGQPBHIS-QGZVFWFLSA-N 434.504 1.846 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](CO)c3ccccc3)CC2)cc1 426900317 FWLVAZOOERJVMI-HXUWFJFHSA-N 427.526 1.851 30 10 IDEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)ccc1C#N 460603457 AHZKSOWOSDBXPU-UHFFFAOYSA-N 438.303 1.924 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cn1 462094004 WIEHSCDROOZEPC-UHFFFAOYSA-N 430.472 1.927 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 466302920 MJPKZXZNTWYBBB-OAHLLOKOSA-N 439.354 1.846 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C 474329206 MJCJHSAVJYUXEN-UHFFFAOYSA-N 434.521 1.177 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(N2CCCCC2)CCN(C)CC1 482370599 UPXDZQCXMNZTJL-SFHVURJKSA-N 447.605 1.292 30 10 IDEE CS[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1N1CCCC1 484622878 CSRFUZMVQIHRNP-NLWGTHIKSA-N 433.647 1.969 30 10 IDEE Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503640467 ARBLMVJAVVFZJS-UHFFFAOYSA-N 426.498 1.994 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@@H]1CCCO1 514475351 WSAWUFDKQDGROJ-SFHVURJKSA-N 425.554 1.817 30 10 IDEE Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1Cl 531286558 FZRNXPJPBNOFKC-UHFFFAOYSA-N 446.916 1.992 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(=NC(=O)N2CCN(c3nc(N)ns3)CC2)[nH]1 542962379 RWFLYNFYQDPRRI-UHFFFAOYSA-N 429.897 1.607 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(OC)cc2)CC1 559008429 ABIHKELXQMEZBB-LJQANCHMSA-N 427.505 1.913 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C 590943105 FJPIDLRHHLXQNA-MRXNPFEDSA-N 434.521 1.257 30 10 IDEE CCc1ccccc1NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 731902144 WKDPEALXWCORIS-UHFFFAOYSA-N 427.530 1.529 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 732439054 DUNYZXPAVDJGKV-NRTINQSCSA-N 431.468 1.025 30 10 IDEE Cn1c(C=NNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)nc2c1c(O)nc(=O)n2C 735976942 UIHDHTYNOOTBIL-UHFFFAOYSA-N 445.365 1.689 30 10 IDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 751729903 RLYTXTKWNYFHAL-KPKJPENVSA-N 442.497 1.198 30 10 IDEE COc1ccc(-n2cc(CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)nn2)cc1 755561476 XVJVCNRAOAVQSH-UHFFFAOYSA-N 440.485 1.021 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(Cl)c(C#N)c3)ncnc1-2 758055023 ZFFFOTAILUGSEV-UHFFFAOYSA-N 434.685 1.866 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4cc(OC)ncn4)CC3)ccc2c1=O 764446802 LVEJXUKKAYJXQW-UHFFFAOYSA-N 438.513 1.632 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)N[C@]2(CC(C)(C)OC2(C)C)C1=O 765084361 ZAJCVDKPYJHAIX-LHSJRXKWSA-N 427.509 1.084 30 10 IDEE CCc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771539481 OPXLQUMWHXRPNY-INIZCTEOSA-N 427.534 1.615 30 10 IDEE CCc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771539482 OPXLQUMWHXRPNY-MRXNPFEDSA-N 427.534 1.615 30 10 IDEE C#CCN(C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 774044834 DIMGONXOXRMPBF-OAHLLOKOSA-N 442.497 1.888 30 10 IDEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCOC2)c1=O 781662027 URPPYLFVSCSXJZ-GFCCVEGCSA-N 446.326 1.744 30 10 IDEE CCOc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)cc1 786683710 TWHBBUJVFDGAGK-INIZCTEOSA-N 439.559 1.588 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3c(Cl)nc4ccccn34)C2=O)cc1 792784347 IZBUQWNPOUZQDT-OAHLLOKOSA-N 429.889 1.939 30 10 IDEE CC(=NNC(=S)NC[C@H]1CCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 797399332 BDOFENIAKOVBOY-LLVKDONJSA-N 435.369 1.464 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)CCN1C1CC1 797532124 FKELIGBEOQDRSU-GOSISDBHSA-N 431.924 1.309 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2)CC1 800787485 DJDVSXNJGBEZIY-GOSISDBHSA-N 447.561 1.285 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cn1 801287709 FNGBJSXQKYTOEO-UHFFFAOYSA-N 439.541 1.703 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccccc1 804673898 CYNUSUKQSGKOSW-GOSISDBHSA-N 429.521 1.473 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cc1 916775529 VRPMMUGAMQLSNC-NRFANRHFSA-N 440.481 1.280 30 10 IDEE CN1CCn2nc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cc2S1(=O)=O 1128041230 XFPHSBPJOQAUDG-UHFFFAOYSA-N 442.501 1.352 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)cc1 1133070162 PBIHAFLWJVMCFK-CALCHBBNSA-N 442.501 1.288 30 10 IDEE Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)c1 1134645948 ZSOXFNASOBZDHI-ZWCUEREDSA-N 429.542 1.552 30 10 IDEE Cc1cc(CNC(=O)COc2cccc(Br)c2C#N)ccc1S(N)(=O)=O 1139690289 DRFLHBDYBCNLBV-UHFFFAOYSA-N 438.303 1.972 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(OCCC)cc3)n2)CC1 1152967718 OBGDQHDDXQHLJM-UHFFFAOYSA-N 448.570 1.824 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](c3cc(O)nc(O)n3)C2)CC1 1171665801 HHIGZLTVCNXKLY-LPHOPBHVSA-N 440.479 1.225 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](CC(C)C)N[C@@H](C)c2ccccc2)CC1 1223831979 PALPQAYWFFJHDZ-PZJWPPBQSA-N 449.621 1.547 30 10 IDEE CC#CC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1227985159 ADEQKXCGHVJHJU-ZDUSSCGKSA-N 432.340 1.109 30 10 IDEE CC1(N2CCOCC2)CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1234024213 PXXQNCNTDJCGSX-HXUWFJFHSA-N 425.533 1.950 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1276482235 ZAPVKOGWYASHFX-QHCPKHFHSA-N 449.467 1.749 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1286344015 XSSDJRZHHCQGPB-SFHVURJKSA-N 430.578 1.937 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1286362916 HDNHUTJNQPKEQJ-QHCPKHFHSA-N 443.523 1.886 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286395007 YQDLFXRTVREURZ-KRWDZBQOSA-N 432.546 1.297 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCOCC1 1286437153 ASNLSJIFUKXNTK-UHFFFAOYSA-N 427.505 1.704 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCN2CC)CC1 1286472307 GJZNMIUVPMKQPN-OFNKIYASSA-N 430.597 1.560 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC=C)CC1 1286474064 YUTNQUPRKBAEFM-UHFFFAOYSA-N 430.459 1.604 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(N(C)C)CCOCC2)CC1 1286492010 CIQKKKXVCZXIJO-UHFFFAOYSA-N 430.597 1.553 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(F)(F)F 1286783718 KAGUDCINBJCSTC-UHFFFAOYSA-N 435.414 1.612 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1286787337 RWJMMUWKAAJAOL-LJQANCHMSA-N 433.516 1.875 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286791354 RRODUOQWFKSLFD-LJQANCHMSA-N 445.612 1.302 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CCO1 1286940217 ALHXWHPVYTVDGO-HMXCVIKNSA-N 438.532 1.709 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)S[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1288078427 MRDZZUOTAWRUHX-PDRMZZPLSA-N 447.565 1.273 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CCS2(=O)=O 1289581862 JHULASQFEFSCCE-PCIYFURRSA-N 445.541 1.542 30 10 IDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)CC 1293068074 BFSQOXGTHOJCOG-UHFFFAOYSA-N 430.578 1.859 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1293804065 ABYZFKXOEIKYPA-OAQYLSRUSA-N 446.577 1.840 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1297309816 LWKGXEAHRJJOPL-GJZGRUSLSA-N 432.447 1.197 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)cc1 1298656219 GNQQKJSARLZPMI-UHFFFAOYSA-N 425.466 1.632 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 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CANSBJQALRQQJU-DLBZAZTESA-N 449.577 1.205 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1358976842 TWKKSKNSQLLJKX-UHFFFAOYSA-N 431.500 1.972 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2cnnn2C)CC1 1359031562 HJNYFMODKRLTLL-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)CC1 1359032473 PNFQEPPBRWEJAG-UHFFFAOYSA-N 448.980 1.574 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCn2ccnn2)CC1 1359043425 TWAFCXLZAOLGJN-UHFFFAOYSA-N 448.531 1.601 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1359055744 OCTSWLUTJROFSC-LJQANCHMSA-N 440.573 1.931 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359089909 RCFUUWRJLDASPY-QRVBRYPASA-N 443.552 1.499 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1359107028 AMZPJQLUCBFYNO-MRXNPFEDSA-N 428.603 1.402 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1359131598 YXMBIWCFZXSNFQ-UHFFFAOYSA-N 431.504 1.921 30 10 IDEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359201061 AYCCKCMJFOICDL-UHFFFAOYSA-N 425.537 1.870 30 10 IDEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1359267662 NLDMLOHGAUCBRA-UHFFFAOYSA-N 431.566 1.861 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N(C)C(=O)OCC)CC2)s1 1442942360 UNDCEVWYJAIYHN-UHFFFAOYSA-N 429.564 1.834 30 10 IDEE COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1456613684 DXPVHJGOCURZKY-PBMXDMTDSA-N 447.513 1.309 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)ccc1OC 1458004192 RXDQECZWDFDXIY-UHFFFAOYSA-N 447.469 1.121 30 10 IDEE C[C@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1466608568 BMZIZWZVEJYHCQ-APWZRJJASA-N 442.516 1.926 30 10 IDEE CN1Cc2ccccc2[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 1470229902 BYGUPXOBCWZLPN-IBGZPJMESA-N 426.498 1.335 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cc(F)cnc3Cl)CC2)cc1 1470289837 LWBYFGKVJFXVPX-UHFFFAOYSA-N 437.884 1.962 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2ncc(-c3cccc(Br)c3)o2)c(=O)n1CCO 1473078562 IPWKWETVFBWCST-UHFFFAOYSA-N 431.246 1.648 30 10 IDEE Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492926989 MWIZDAQADMIDGI-VHEBQXMUSA-N 427.534 1.497 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1507570443 PBTHDQVPGVGQST-OAQYLSRUSA-N 426.546 1.932 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507610106 HQHRZLULJIGQHP-HNNXBMFYSA-N 433.534 1.313 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1507641815 KUOGFWGBUJCHMU-HSZRJFAPSA-N 443.548 1.870 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1507709715 YAXXPDBOAYXDNF-UHFFFAOYSA-N 427.505 1.322 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCCOC)CC1 1507716393 QGOSIJMDWZUXEC-UHFFFAOYSA-N 440.548 1.565 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)COCc2ccccc2)CC1 1507723593 NSVYDIVGPXMLAA-TZIWHRDSSA-N 436.560 1.837 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)CC1 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437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2=CCCOC2)CC1 1539468035 AAHXOHIFIWJMOG-QHCPKHFHSA-N 443.548 1.243 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1)C1CC1 1540107443 BCBUAROBWBNQRG-INIZCTEOSA-N 425.555 1.071 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1ccnn1 1540122196 RRKGELKYKSHSLM-IBGZPJMESA-N 431.504 1.975 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861355 NGMHWRABIVICDR-PGRDOPGGSA-N 434.585 1.541 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540870029 DEICNDJPDUZBOD-SFHVURJKSA-N 436.520 1.068 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1541103641 DBFQBOXVGSOSIN-QGZVFWFLSA-N 446.515 1.880 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)c1 1552656494 DZKKSYNWDAXHHO-IBGZPJMESA-N 433.516 1.957 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CC1 1554434581 HBBITHBNYBFLSL-QFIPXVFZSA-N 426.521 1.567 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(Br)c(F)ccc3[nH]2)CC1 1558072714 AYWZJMMACXQMBW-UHFFFAOYSA-N 443.298 1.295 30 10 IDEE C[C@H](C(=O)Nc1ccc(I)cc1)N1CCN(C(=O)CC#N)CC1 1559847007 NFQAYQXCDCEHPC-GFCCVEGCSA-N 426.258 1.676 30 10 IDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(C(=O)CC#N)CC2)C1=O 1566317529 BJIRSEMAHXKEBV-QHCPKHFHSA-N 433.468 1.191 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccc(O)cc3)CC2=O)cc1Cl 1566369554 KSKMKMIGEQCXMT-HNNXBMFYSA-N 426.860 1.816 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)CC1 1585000083 MZMOVRPQXGKDEQ-UHFFFAOYSA-N 437.519 1.788 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Oc3c(C)nn(CCC#N)c3C)CC2)c1 1586080238 LTZGGBDZOUAHAP-UHFFFAOYSA-N 445.545 1.779 30 10 IDEE C#CCCN1CCC(NC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1586802146 CZLINVKLABNSJK-IFMALSPDSA-N 447.601 1.538 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@]34COCCN3C(=O)OC4)C2)C1 1587636211 KDGLHGFZUJWJPM-IOHWQQQBSA-N 434.493 1.111 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1588233302 GODIEEZYAKGSRR-HNNXBMFYSA-N 429.493 1.119 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588780438 PXJJHAGYRIVQIV-OAHLLOKOSA-N 434.953 1.183 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594023568 KPEKHCNZEVEVRQ-WOJBJXKFSA-N 440.566 1.025 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccc(Cl)cc1 1595538079 YRMHJSQNCFOEHQ-INIZCTEOSA-N 432.912 1.700 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595799351 ZAZHQRZATXIFSU-DOTOQJQBSA-N 425.555 1.178 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1596563178 XHIJLZLJQUTESJ-LBPRGKRZSA-N 432.399 1.434 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1596788574 ANHSULHLOBUSOM-IAGOWNOFSA-N 445.593 1.542 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1596813931 QDJHJZPBLNZKDA-ZIAGYGMSSA-N 434.522 1.426 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1596830484 BMCKXEHPTDDMHV-AZUAARDMSA-N 438.580 1.802 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1622518669 JBAKLOPFODXBFW-GOEBONIOSA-N 435.477 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 1626873344 QIJQFNKBLLUJBI-UHFFFAOYSA-N 432.565 1.404 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc21 1630034679 HCRFTHBQUJKJRW-UHFFFAOYSA-N 425.445 1.548 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 1631677306 IBTWQUIDEBNNLW-NSHGMRRFSA-N 426.517 1.670 30 10 IDEE CCN1CCN([C@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1632797195 OGNYHVFDVXZXSL-VITVIVDCSA-N 433.597 1.915 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCc3nn[nH]n3)cc2)s1 1633820557 QLLSYFMLBPESSR-UHFFFAOYSA-N 434.503 1.486 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2COCc2ccccc2)CC1 1636479747 FSGNSFLNFOQORP-UHFFFAOYSA-N 427.526 1.629 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCCS(=O)(=O)C3)C2)C1 1638187725 BEMMTFSQZQITJF-JQCXZVQFSA-N 425.551 1.714 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(C#N)s2)c1 1638340705 VVIVEDGAFMKVBN-UHFFFAOYSA-N 434.543 1.696 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1 1645229061 ZMWWKZFPOZDPQI-UHFFFAOYSA-N 434.562 1.499 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(C)(=O)=O 1649544746 ZDCCZZOXVXTXLF-UHFFFAOYSA-N 431.522 1.546 30 10 IDEE Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1651116955 GLUSXIHVVSXLGG-UHFFFAOYSA-N 432.532 1.908 30 10 IDEE CO[C@@H]1C[C@@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)Cc3cccnc3N2C1 1659769023 VTIJHVIYXLHUHP-NJDAHSKKSA-N 426.565 1.183 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1672020987 WHDVZCWBSOWPEH-UYAOXDASSA-N 433.578 1.540 30 10 IDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1686898946 HMLDPJGHOZDJTR-VBNZEHGJSA-N 445.520 1.779 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1689988575 RULFRTHMUGHLFD-ROUUACIJSA-N 443.577 1.236 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689993189 XKBOSDONUAXQER-RLLQIKCJSA-N 445.589 1.952 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1690050248 YHYLNXCFICIGLD-FCQUAONHSA-N 446.486 1.997 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1690076768 AKAUYRPDAXNRRL-CVEARBPZSA-N 445.536 1.896 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCc2cnc3c(Cl)cnn3c2)CC1 1690133328 BXMRNEPCMUQQJC-UHFFFAOYSA-N 428.928 1.509 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccccc2)CC1 1690142354 MFIQEHCLVCAPMA-UHFFFAOYSA-N 433.516 1.723 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690330187 CRJYGGOBNKGCNT-UONOGXRCSA-N 438.920 1.287 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)nc2)CC1 1690375446 LGRSXBDBPTWBQH-KRWDZBQOSA-N 448.549 1.219 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CCO1 1690957953 MYHJECJJESMAJU-QGZVFWFLSA-N 434.447 1.787 30 10 IDEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1691354671 AIBJYQQKAAOFCD-OAQYLSRUSA-N 429.546 1.993 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCOCC1 1692693361 BKIPHDTWTQECKS-QFBILLFUSA-N 444.561 1.161 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCn2cc([C@H]3CCOC3)cn2)CCOC1 1696032284 XXXKHVWLAHYLPT-KGVIQGDOSA-N 443.552 1.927 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1696927761 RJPGFQDFRHBOCI-IERDGZPVSA-N 430.484 1.676 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H]2CCS(=O)(=O)C2)c1 1705507341 YKLKMEPPBZVTBP-SFHVURJKSA-N 443.573 1.968 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705522837 GKAIYYHCCYZTRO-AEFFLSMTSA-N 440.935 1.990 30 10 IDEE C#CCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1705539312 ONWXLMTZHRFCPD-QHCPKHFHSA-N 435.532 1.937 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)c1 1705600628 GSAYKWFTFKXKIH-UHFFFAOYSA-N 446.555 1.748 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1705626732 HEBDAAOLIHSUNA-UHFFFAOYSA-N 444.536 1.203 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccsc2)CC1 1705643797 SZKPLGVUVPGIFN-UHFFFAOYSA-N 440.573 1.784 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)CC1 1705654974 ZMPJXXAHZUKLNS-UHFFFAOYSA-N 430.534 1.988 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 1705664404 NZKWMFJWYTZLHF-UHFFFAOYSA-N 443.621 1.807 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1705764033 LOGIFEPCLBVYCH-OAQYLSRUSA-N 429.525 1.628 30 10 IDEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1705795319 HGDURLUAURJDFM-RBUKOAKNSA-N 440.548 1.727 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705833093 UFGPYTMHGIELRM-BZSNNMDCSA-N 434.541 1.151 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705939386 DDWXQUFPTZMPEX-OAHLLOKOSA-N 433.538 1.703 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(F)c1F 1706889274 FEEBBQXCJRLZCV-JSGCOSHPSA-N 440.476 1.138 30 10 IDEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncn(C)n1 1706920444 FFXHHMFDXDIINZ-CJNGLKHVSA-N 428.884 1.977 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1708146662 FPXWVJYGQNQFJY-GOSISDBHSA-N 437.548 1.596 30 10 IDEE CO[C@](C)(Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C1CC1 1711491769 BPRULRKUDFLZQP-JOCHJYFZSA-N 439.520 1.766 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1722316136 CAMPGPJCOUEUEB-BZSNNMDCSA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722355195 GTTOHZBNLVKTDH-GOSISDBHSA-N 431.562 1.825 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722366886 SPJRNCHPPPXHQE-NRFANRHFSA-N 441.601 1.900 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1722378458 UDWGMBUQIPEWOB-QGZVFWFLSA-N 427.530 1.451 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1722391997 BRLSACMZIGNQAS-LJQANCHMSA-N 435.528 1.900 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3c(ccnc3O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703597 CUAHLBCSJRRHEA-JOCHJYFZSA-N 442.520 1.284 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1722738387 IJYTYVRUABIBOO-MRXNPFEDSA-N 429.612 1.911 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CCO1 1722843770 QPLFXXRPNGILCD-VQTJNVASSA-N 438.532 1.973 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723075830 LSDILELGSHKFLX-OALUTQOASA-N 429.569 1.859 30 10 IDEE CC(C)Cc1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1723282989 QYFBOIALWPEMMU-ZVDNPCSMSA-N 427.553 1.676 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCSC1 1729706722 DGZGCFKXRJDSHW-OAQYLSRUSA-N 427.578 1.826 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1730900184 BJJNLRKAQRZIDU-GOSISDBHSA-N 445.545 1.636 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740620425 WKGDZYHJUONTTI-IBGZPJMESA-N 443.573 1.659 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1740622094 UENAFLNWSORCGM-CUYAVPTFSA-N 446.577 1.511 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCC(=O)N1CCOCC1 1740641539 KJQUOHRYPPKDTO-UHFFFAOYSA-N 435.528 1.796 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1740671419 GWSOIYGFDUMPFW-MRXNPFEDSA-N 427.571 1.133 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2oc(CC)nc2C)CC1 1740692074 DPBNLXKZECJIKO-JOCHJYFZSA-N 428.537 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1740704358 LZKDBKIVLHGJNL-DLBZAZTESA-N 425.537 1.460 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1740751953 QHMNNLNBCPZMRG-ICSRJNTNSA-N 434.585 1.267 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2cccn2)CC1 1740838855 AAEOZHODVCUHNM-GOSISDBHSA-N 449.581 1.300 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740956630 WFVLLEFQZULIIV-UHFFFAOYSA-N 438.561 1.729 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740961289 SFSZORAARSEJGI-OAQYLSRUSA-N 449.559 1.890 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1740964168 JPTHNXXIBGACPQ-QGZVFWFLSA-N 427.505 1.775 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCC[C@H]2C)C1 1740972048 CDQAWDDIZMZZEN-OLMMMNRUSA-N 427.571 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1740992789 TZBKCMWFCFMJGX-UHFFFAOYSA-N 438.598 1.462 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccncc3)nnc2N2CCC(CC#N)CC2)CC1 1741056878 CBMRJNVPLKKEGI-UHFFFAOYSA-N 436.564 1.558 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741653315 SFYKOCHUHGTCJQ-FBMGVBCBSA-N 429.525 1.569 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@@H]1C 1743173736 AKCXLAZXGZTDEA-DLBZAZTESA-N 444.561 1.999 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1744770861 KKRPDWYZZIAQSA-RBUKOAKNSA-N 440.504 1.249 30 10 IDEE CCOCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1747008649 AJNKKRVGBDYXOM-YJBOKZPZSA-N 448.549 1.202 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CCO1 1748213247 ZEKXBWKVWJBQHG-IBGZPJMESA-N 446.515 1.665 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCN(C)C 1748671979 OUBCUBUQSIIOHA-GOSISDBHSA-N 426.569 1.488 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CCC1 1748770544 BHBALXBZUHVQFP-PMERELPUSA-N 448.618 1.917 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748814252 BUGHOSDSRGGYLQ-QZTJIDSGSA-N 435.594 1.631 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N(C)C)CC1 1748977603 JJYBVXIBNIRYJG-QGZVFWFLSA-N 428.512 1.791 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@@H]2CCOC2)CC1 1748979887 RJQGNSXQVCDRCW-HXUWFJFHSA-N 440.504 1.804 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCCOC)C1 1749115679 UTFUPZVSOQISCJ-OTWHNJEPSA-N 433.553 1.737 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1749129872 HTANNFNXHBXCEV-OTWHNJEPSA-N 436.578 1.944 30 10 IDEE COCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749611182 FUTGTFNIDTWOMA-GHTZIAJQSA-N 445.593 1.598 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCc1cccs1 1749658222 LYJOOAOBYNNGIZ-UHFFFAOYSA-N 449.544 1.963 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1749659103 UXFUBXRISIYGIP-IBGZPJMESA-N 447.337 1.712 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749681416 AMIFGIQWQKQWFJ-FBAVSBLXSA-N 433.553 1.340 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCS(C)(=O)=O)C1 1749715371 SFAFGBIFIXLXFD-INIZCTEOSA-N 425.580 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCC2)C1 1749721701 RHZWMBNIBDHWDB-UHFFFAOYSA-N 430.534 1.907 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1 1749830036 DCXVCJQUHWBYMJ-GOSISDBHSA-N 447.561 1.912 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCC2)CC1 1760255113 CEIOSWBVVDFDBQ-UHFFFAOYSA-N 429.546 1.019 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1760298708 SCQOVFBZBSSCGZ-XMMPIXPASA-N 448.527 1.970 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1760327575 IZKGPIIRQREWRT-FGSXEWAUSA-N 448.568 1.373 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)CC1 1760437508 GHJROILTLZMARS-UHFFFAOYSA-N 447.609 1.973 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N2CCOCC2)CCSC1 1760467720 SLAIPZDHMVXGLY-OAQYLSRUSA-N 431.610 1.970 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CCCO)CC1 1760519425 CNKHTPLTHNNKDW-UHFFFAOYSA-N 427.505 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760522883 FJWGDVCPCLQLOG-AWEZNQCLSA-N 428.518 1.352 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760526371 MDLXMLXFCMRANV-QGZVFWFLSA-N 426.521 1.525 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760557075 ZNFDGMUZJLPPTL-MSOLQXFVSA-N 444.561 1.112 30 10 IDEE CC1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1763015502 ASIYCHMAGRRPEV-IAGOWNOFSA-N 425.603 1.749 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H](C)O1 1763179845 YABDSNZZQYPBBP-HZPDHXFCSA-N 445.545 1.920 30 10 IDEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)CCC1 1765618898 YRXHLUWSDYMLEK-QYWGDWMGSA-N 434.516 1.750 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1766702308 QTQVEVJODQTTPV-YLJYHZDGSA-N 438.598 1.974 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C 1767749011 DZURVTMDEGTKMV-UHFFFAOYSA-N 425.537 1.941 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1767855698 BVOUZZACWOPFOR-KRWDZBQOSA-N 442.904 1.502 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)c1 1771531243 HAKKPTMGYMNSAH-IBGZPJMESA-N 429.481 1.294 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC 1772567113 IWQBSVWQJYRKGO-MRXNPFEDSA-N 436.557 1.777 30 10 IDEE C[C@@H](C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N)N1Cc2ccccc2C1=O 1851122707 WPVGSVSCWKEQST-HNNXBMFYSA-N 429.484 1.560 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1854590169 MJBMQIQLYMSRFY-ICSRJNTNSA-N 431.558 1.889 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 1862745960 VMWOQHVTZAGRAQ-GOSISDBHSA-N 426.381 1.937 30 10 IDEE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccccc1C#N 1866608259 FKYLDIHEALPTFH-OAHLLOKOSA-N 447.495 1.863 30 10 IDEE CN(C)CCCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3cccc(C#N)c3)cc2C1=O 1868129343 MAPXKWDBUIGPGS-UHFFFAOYSA-N 433.468 1.474 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)CC1 1889317538 YTFUSDQKZAACMB-UHFFFAOYSA-N 427.593 1.948 30 10 IDEE CC1(C)OB(C2CC(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1956057384 DDHVOOZFPHZXHN-UHFFFAOYSA-N 434.323 1.827 30 10 IDEE CC(C)(C#CC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 1993921330 OQHIWZHVQZINLU-CYBMUJFWSA-N 427.498 1.777 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243407364 QHPOPTQPQCCMCG-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255675714 FRUHVTSLOVJDGA-INIZCTEOSA-N 434.342 1.910 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)n1 2255823856 YTZCWALUOOEDIP-KRWDZBQOSA-N 430.236 1.002 30 10 IDEE Cn1cc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255829793 VRWFXJLQRXEEPA-NRFANRHFSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266994464 UUOUWWLLDQXIJT-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 2267599739 VHDQGTUQSUFXAP-UHFFFAOYSA-N 449.313 1.128 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267604147 KWPDRLWILXLGAB-KRWDZBQOSA-N 439.369 1.708 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2319673451 BWEYOWBGKMKGEU-LRAJWGHMSA-N 440.346 1.414 30 10 IDEE COc1ccc(CCNC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20914761 OGWHHORWUNMELJ-FSJBWODESA-N 441.517 1.603 30 10 IDEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccccn1 21082713 TVXUUWWMKMYGMO-YSURURNPSA-N 436.457 1.650 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(O)cc2)[C@@H](C#N)C(=O)N3)CC1 101442521 PHYVMSDAZAYJRV-HZPDHXFCSA-N 437.456 1.479 30 10 IDEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1C 102526073 CQCBQFUWQODDPG-UGDGIKRESA-N 426.473 1.796 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 102757102 UEVDJUWWDZUGPY-LAFOYAEKSA-N 425.489 1.186 30 10 IDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)C1 219963426 DRIHBVZDQNBVIB-INIZCTEOSA-N 426.864 1.924 30 10 IDEE C=C1C(=O)[C@]23C[C@@H]1C[C@H](O)[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1COC(C)=O 390835448 LUXJXSFHXOVGTA-SPYOFKPKSA-N 448.512 1.973 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409816655 DWPHDDJWVRBDAC-IINYFYTJSA-N 425.454 1.573 30 10 IDEE COc1cc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C#N 427230841 RVACPFZLNOSJHQ-RCCFBDPRSA-N 433.530 1.293 30 10 IDEE Cc1c(C#N)c(NC(=O)CCN2CCC[C@@]3(C2)NC(=O)NC3=O)n(Cc2ccco2)c1C 434799436 SNMZWAJEYFHJRW-QFIPXVFZSA-N 438.488 1.621 30 10 IDEE Cc1oc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 440582150 ULFGPPNMKZQZJJ-OAHLLOKOSA-N 448.526 1.864 30 10 IDEE C=CCCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 448378962 XNGWYMNNPZZOTM-UHFFFAOYSA-N 436.516 1.389 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)cc1 461738961 BSAQVMXARQLEKK-NSISKUIASA-N 445.541 1.258 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCN1CCOCC1 474363962 SDAGKEFNGDKUIT-QGZVFWFLSA-N 440.569 1.064 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C1CC1 476994093 IWWKQAZXMDOYAR-UHFFFAOYSA-N 448.317 1.928 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ncc(Br)cn1 486519818 QHYZRCYMBQQSHD-MNOVXSKESA-N 438.307 1.655 30 10 IDEE CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486964093 AUNWRMXGSOLVHQ-SFHVURJKSA-N 438.488 1.976 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4cc(S(=O)(=O)NC)ccc43)cc2C1=O 504022436 FKVATDSWGGJIIQ-UHFFFAOYSA-N 425.466 1.580 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 504907840 IEPYIVMFXRSXDR-OALUTQOASA-N 431.452 1.685 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 505620389 OCDCSPITIUHJJC-HSZRJFAPSA-N 443.507 1.683 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 505673836 PFKQIBYJDIUDKN-SFHVURJKSA-N 435.546 1.397 30 10 IDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 506021313 DCFYNPSYSWYUPI-UHFFFAOYSA-N 435.506 1.053 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(CNS(C)(=O)=O)CC2)n(Cc2ccco2)c1C 510238381 FZLGEICNFPBWFA-UHFFFAOYSA-N 447.561 1.818 30 10 IDEE CCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 558829205 CDRWYKGJORTQSW-UHFFFAOYSA-N 437.529 1.666 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2cc(F)c(C#N)c(F)c2)c1 560452920 WVEGDVLVWBYMOG-UHFFFAOYSA-N 438.456 1.345 30 10 IDEE C#CCn1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c2ccccc2c1=O 585170843 SMYFYLVXSWSMOP-INIZCTEOSA-N 430.464 1.708 30 10 IDEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)Nc2ccccc2C(N)=O)sc2c1CCC2 586345499 UADDPHHOOYIYFV-LJAQVGFWSA-N 430.511 1.533 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3cccc(S(=O)(=O)NC)c3)cc2C1=O 589565068 ZMHKBSKECMDDIM-CYBMUJFWSA-N 427.482 1.868 30 10 IDEE CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609255598 DXMCMPCFFCNTJM-UHFFFAOYSA-N 430.461 1.735 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1sccc1C#CCO 703975039 RQEYUWMMTGNYOS-UHFFFAOYSA-N 446.550 1.834 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671568 MAGOOJAKCRJYQI-KRWDZBQOSA-N 434.521 1.609 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccco2)C1=O 730143751 DNCYWRVXTFVYQY-JQBIEYAESA-N 429.546 1.785 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccccc1C 732795725 VBQYXGZHYPIVEK-UHFFFAOYSA-N 433.537 1.790 30 10 IDEE CCOC(=O)C1=C(COC(=O)c2ccc(C#N)nc2)NC(=O)N[C@H]1c1ccc(OC)cc1 734601893 OMBFNOIMJFHXFS-IBGZPJMESA-N 436.424 1.990 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@@H]1CCCO1 736585311 CPAXHMKHFZHADJ-HNNXBMFYSA-N 446.598 1.582 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCC(OCc2ccccc2)CC1 741341239 ISGUHLVUGFLJOF-FCQUAONHSA-N 441.484 1.654 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCCN(C)C)C(=O)N1CC(=O)NC1CC1 741452248 CEOMWVWRFGTJIV-GOSISDBHSA-N 445.589 1.663 30 10 IDEE Cn1ccnc1C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742856913 ACAKUPBIIVUCJM-GOSISDBHSA-N 437.525 1.949 30 10 IDEE Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nnn1C 744032423 FTEGCXMRTAQDOA-MRXNPFEDSA-N 430.490 1.259 30 10 IDEE N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 748228116 SHFBVISYJHDNMO-IZZDOVSWSA-N 428.470 1.188 30 10 IDEE O=C(O)C#CCNC(=O)[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1 757470092 AJSKJTKOWGFZCI-XMMPIXPASA-N 434.448 1.888 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 774343415 SEVCSMLVMNZBKP-INIZCTEOSA-N 440.518 1.944 30 10 IDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778757345 KYFMNUAXHLMRFW-SFHVURJKSA-N 431.445 1.958 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H](C)c1ncn(C)n1 780313472 WBYDSHGGUDMIDW-RDJZCZTQSA-N 443.577 1.884 30 10 IDEE C=CCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 791355769 WHJXHJSGTSYXOL-UHFFFAOYSA-N 447.351 1.745 30 10 IDEE CCOC(=O)C1=C(CN2CCN(c3ncccc3C#N)CC2)NC(=O)N[C@H]1c1ccccc1 796249713 AEZHOIHRCXGRGP-NRFANRHFSA-N 446.511 1.947 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1C)[C@H]1CCS(=O)(=O)C1 809821436 MIMDLICCTVKTOH-LBPRGKRZSA-N 439.335 1.880 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 809909563 FJYVGGPGAPKEKP-HUUCEWRRSA-N 441.554 1.396 30 10 IDEE CCOc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)c1 813565109 SKXHVLDBXHDOOY-YOEHRIQHSA-N 449.577 1.219 30 10 IDEE Cn1cc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 916948111 DPNCWTGSBOLYRM-CSHXORCISA-N 441.513 1.955 30 10 IDEE COc1cc(C=NNc2nnc(SCC(=O)OC(C)(C)C)n2N)cc(OC)c1OC 1083960204 XRAQBOQGSSRIMC-UHFFFAOYSA-N 438.510 1.898 30 10 IDEE COc1cc(C#N)ccc1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1133629800 CSMIUTLGFYSQRP-HNNXBMFYSA-N 437.518 1.721 30 10 IDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1136235044 FJPOIWPQDBUDFH-UHFFFAOYSA-N 441.469 1.295 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](n2ccnn2)C1 1142658737 BRCGCOVBOPOVOW-MRXNPFEDSA-N 430.534 1.741 30 10 IDEE CCN(CC)S(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1151878503 CONZMFKONFHBPK-UHFFFAOYSA-N 443.367 1.594 30 10 IDEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1163598189 HXDHMJGUYPFSAD-ZDUSSCGKSA-N 429.336 1.859 30 10 IDEE CN(CC(=O)N1CC(Nc2cccc(C#N)c2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1168642555 KZMDFQPSPQRPSR-UHFFFAOYSA-N 429.458 1.410 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(F)c(C)c3)nc2C)CC1 1175515047 PQMBGZFICAOICE-UHFFFAOYSA-N 436.534 1.791 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(C(=O)OCC)=NN2c2ccccc2)n1 1271204508 MHLDAJYFYKXFKO-NRFANRHFSA-N 437.500 1.689 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2Cc2ccccc2Br)C1=O 1276459890 PRFIUJJUMUPDIT-CQSZACIVSA-N 434.290 1.959 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286313725 FGNXWDDOYFXYEM-GDBMZVCRSA-N 435.554 1.767 30 10 IDEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286333410 GUCBSUUMTOBUAU-HXUWFJFHSA-N 425.533 1.827 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)C(C)C)CC1 1286474847 RHQIBTJNEVSVIE-UHFFFAOYSA-N 429.956 1.911 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286820622 OLCPAXXEZYWVHY-LJCCNALRSA-N 440.566 1.156 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C 1286955016 RUINDBQROOQZCY-UHFFFAOYSA-N 436.520 1.933 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1288997301 SGRNTWRXERMVIW-SJORKVTESA-N 442.545 1.355 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1291825554 BPJWSGCTHPNJTI-APWZRJJASA-N 442.520 1.899 30 10 IDEE C#CCCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1296107444 SAPUKEPIMRYCNI-UHFFFAOYSA-N 425.816 1.131 30 10 IDEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1299683587 KEQTVIIHEPKOFB-CFJPQMKISA-N 436.511 1.885 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300482045 CZOUTUBLOHLPLY-VSZNYVQBSA-N 440.566 1.054 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1300579839 XTBMYUIBJXFSBP-GOSISDBHSA-N 445.527 1.778 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1300671356 IAGCSPNWBQYYSB-SFHVURJKSA-N 431.562 1.381 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CC1 1300690558 MWGXIGMFDBXYFZ-UHFFFAOYSA-N 429.532 1.967 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)CC1 1300862691 CFNVBQKKHMARJU-WOJBJXKFSA-N 446.596 1.654 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](OCCOC)C1 1301026900 DJFUDRHCNRSLHY-QGZVFWFLSA-N 430.900 1.915 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301222939 JNPCTAGDHHZYJK-JKSUJKDBSA-N 425.555 1.861 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1301489863 FJBFSGMOCZWIJN-RXVVDRJESA-N 438.576 1.967 30 10 IDEE COC(=O)CC[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1303266088 WJJZIAUYRHLKSU-AEFFLSMTSA-N 426.473 1.955 30 10 IDEE CS(=O)(=O)C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1304195159 JOZWQYUSHLSDDG-OAHLLOKOSA-N 442.335 1.029 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C2)c(=O)nc1O 1305591319 WLPYSILZVJEGNP-SNVBAGLBSA-N 431.811 1.049 30 10 IDEE COC(=O)[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCOC1 1305794268 PWMQOFRRSTZIKG-MLGOLLRUSA-N 436.306 1.699 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)NCC3(C#N)CCOCC3)c3nccn32)C1 1313358493 JQUUHJKRLPHNSK-HNNXBMFYSA-N 430.509 1.893 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)cc(OC)c1OC 1358414788 LHKDJHGTWYOISM-AWEZNQCLSA-N 435.477 1.489 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCOCC1 1358939652 AUGIMBMQAYRHOV-MRXNPFEDSA-N 445.593 1.337 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1358960610 IKCZWVIFLCQHDN-HNNXBMFYSA-N 428.543 1.780 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1359322628 ZJYTXTIXCMYWLS-RDJZCZTQSA-N 437.566 1.020 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)C1 1360034333 DJUQEKKGCLBRNT-PMACEKPBSA-N 437.548 1.485 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1360038155 BXGHQTMFCCFFKK-KURKYZTESA-N 438.598 1.133 30 10 IDEE C=CCC[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1449699570 RIFGZGZYPFBERV-HNNXBMFYSA-N 426.491 1.140 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 1455114587 FLUHJKVUADKBIX-UHFFFAOYSA-N 449.536 1.765 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1457200079 MZYLGPJCBNDHLS-KRWDZBQOSA-N 439.472 1.860 30 10 IDEE Cn1c(=O)ccn(CC(=O)Oc2c(Br)cc(C#N)cc2Br)c1=O 1461147858 HOVVKDWOWKUCIF-UHFFFAOYSA-N 443.051 1.549 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 1469477999 NWNZQYNENWCNAW-CQSZACIVSA-N 442.950 1.926 30 10 IDEE N#C[C@]12CN([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1473850783 SGZQGUFESRJHLC-XGWLTEMNSA-N 429.420 1.561 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1505314546 GCWWHYJJNPACJW-SFHVURJKSA-N 437.472 1.466 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC(=O)NC2CC2)cc1 1505318459 ICTISPDAUYYLBZ-MRXNPFEDSA-N 437.504 1.099 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1505322470 OMQUSEGGRQFHKY-ZBFHGGJFSA-N 439.442 1.655 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1507535490 YYLYEUQJIJVWTJ-HJPURHCSSA-N 436.516 1.938 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1507632279 KJTVZEKAQVPYIB-YJBOKZPZSA-N 429.502 1.659 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@H]1C 1507703710 YGGRMCBGTZRMCZ-SBUREZEXSA-N 441.507 1.719 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ncn(C)n2)CC1 1507716423 QWZWYWPXVWAWRN-UHFFFAOYSA-N 433.520 1.079 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1507760654 CNQSKRJYDXUGPC-NMNUPHIUSA-N 445.564 1.417 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1508408537 XVJMXVHSHZMOQI-LSDHHAIUSA-N 445.490 1.665 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1508796952 QVQCFRQAAIWUDC-FQEVSTJZSA-N 437.548 1.500 30 10 IDEE CCCOc1ncccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1515193960 FWZXCJNCOYFGAC-OTWHNJEPSA-N 442.520 1.963 30 10 IDEE CNC(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1517595465 QNEPSQOUPYLOSB-CABCVRRESA-N 435.529 1.461 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(OC)CCOC2)c1 1518049959 CXBVYSTVDFOKAG-RXVVDRJESA-N 429.477 1.497 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)cc1 1524663917 GLULNBARGYMLLC-UHFFFAOYSA-N 441.469 1.122 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCOC2)c1 1539043349 PAJWUQLEOGNMFC-IEBWSBKVSA-N 436.516 1.712 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1conc1COC 1539413760 NXGSZUMKKZDRFC-UHFFFAOYSA-N 449.471 1.863 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540870855 YMYWAASKXMZNOV-OAHLLOKOSA-N 444.496 1.421 30 10 IDEE CC(C)OC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541742205 FOCSODNWPQVEPK-YGCDDZCOSA-N 444.536 1.702 30 10 IDEE CC(C)(C)OC(=O)N1CC(c2[nH]nc(C(=O)NCC#N)c2I)C1 1542735134 PYHCFVXOJFULGR-UHFFFAOYSA-N 431.234 1.602 30 10 IDEE CNC(=O)Cn1cc(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1543231242 NXGPBSAGFFGEFO-IBGZPJMESA-N 438.488 1.974 30 10 IDEE CCS(=O)(=O)N1CCC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1556050728 QJRBLNAIYUIWKB-MRXNPFEDSA-N 430.571 1.894 30 10 IDEE COC(=O)Cn1nc(C)c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C 1556062246 AJTDOSSPELGUIU-OAHLLOKOSA-N 443.891 1.867 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@]3(CO)COCC4(CCC4)N3C)n[nH]2)c1C 1557544151 NBOLKWOYLJAPLT-QFIPXVFZSA-N 428.537 1.422 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCC[C@@H]12 1583901324 OPXYYXOGSZCNHX-IIBYNOLFSA-N 448.545 1.773 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1587638397 DNLSVRLXZUEEER-IAGOWNOFSA-N 439.582 1.276 30 10 IDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCOCC1 1587811096 WTMAPHKOJZSFCF-IBGZPJMESA-N 448.541 1.403 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1587909557 NMHHFPHWSNLXPQ-SJORKVTESA-N 434.566 1.778 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588049900 NBNJXHXBBXSBQM-PMACEKPBSA-N 442.589 1.841 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588053243 BOFLNPPIQQGTNT-CVEARBPZSA-N 435.575 1.498 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1588054976 QVQKOAIVTRQJAU-DLBZAZTESA-N 448.549 1.471 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1588637207 BBRQHXDOSGHJCU-QGZVFWFLSA-N 426.477 1.542 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1593690336 KJCMIULUJCBJOW-UHFFFAOYSA-N 444.584 1.455 30 10 IDEE C=CCN(C)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N1CCSCC1 1594986338 UXKIPZDAQAQNLW-UHFFFAOYSA-N 427.621 1.931 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)C1 1595728955 HWNXEKUGHGYSOM-RHSMWYFYSA-N 449.458 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1595798047 LWYLKEFGBRISGI-QGZVFWFLSA-N 433.534 1.118 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1595804495 AIUVETHCSWEXPV-UHFFFAOYSA-N 449.552 1.571 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCOc1ccc(Br)cc1)c1cc[nH]n1 1598321117 JMLNCQSDGHKPFY-UHFFFAOYSA-N 439.266 1.651 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1611307831 HPLDGQPWERIPBJ-YHUYYLMFSA-N 428.534 1.488 30 10 IDEE CCSc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)ccn1 1617450207 HNTKMWQHIRBEGH-MRXNPFEDSA-N 427.534 1.798 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1620001681 JHSOQSRVPOHQTO-GCJKJVERSA-N 447.584 1.296 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1=O 1622074361 CTWIICRRXSEFGZ-SRGMZFCMSA-N 425.454 1.997 30 10 IDEE C#CCO[C@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1623590694 JMYPVBLGVBNWFF-GFCCVEGCSA-N 435.365 1.772 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C#N)CO 1624090838 MJWQHPNFIRAJJQ-RNCFNFMXSA-N 426.347 1.394 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 1625160875 OOMLMHNCGFBFJQ-GNADWWNHSA-N 435.424 1.185 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)CC1 1626037170 HCKZCPCWZDMKAQ-MRXNPFEDSA-N 429.521 1.844 30 10 IDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1626907355 AOQXZLAPJBTAPL-XXUFKVEXSA-N 448.520 1.053 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 1631636868 BWMBMZDOVZBCNY-RCCFBDPRSA-N 447.557 1.942 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc4ncc(Br)cn4n3)C2=O)cc1 1634588192 HGAJQERFPBSQCU-HNNXBMFYSA-N 439.273 1.894 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1 1640797295 MAXZYJXSJSIHSU-MRXNPFEDSA-N 439.534 1.205 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1cccnc1 1640972917 XZTSZYJVLIJFCE-HXUWFJFHSA-N 430.486 1.400 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)O1 1648404909 RXUKIJIEOFXGSH-XUVXKRRUSA-N 425.489 1.577 30 10 IDEE O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649041794 XEOGHTWPKSHCPS-MRXNPFEDSA-N 428.489 1.818 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(n3cnc4ccccc4c3=O)CC2)CC1 1655912975 FTTOEVWVQAJSEU-JOCHJYFZSA-N 436.560 1.726 30 10 IDEE N#Cc1cn(CCNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)c(=O)nc1O 1669350150 HZHSRUVCPLSIOJ-UHFFFAOYSA-N 426.477 1.507 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)NCCNS(=O)(=O)NC(C)C 1672708152 FKNNGRFLLIRTEJ-UHFFFAOYSA-N 435.344 1.968 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1687180854 BYYKGHBSQVWNJP-JOCHJYFZSA-N 433.560 1.601 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1689824809 XXKNCGKULZLZFP-HNNXBMFYSA-N 429.484 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1689865478 VWJOEAIHPGQPPU-KRWDZBQOSA-N 427.505 1.573 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)N(C)CC)CC1 1690111523 DCJKTJQZJONKSD-QGZVFWFLSA-N 428.512 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C/C=C/CC)CC1 1690139946 GCVOVQRSUDRCJN-AATRIKPKSA-N 445.531 1.853 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)C2CCC2)CC1 1690146259 JLUCPDJIWXTGFP-LJQANCHMSA-N 442.564 1.054 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1690182702 DQRBEKIMAWEKEL-HXUWFJFHSA-N 443.621 1.665 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ncnc3sccc23)CC1 1690725648 XIZLRUOKQMWMGD-UHFFFAOYSA-N 447.590 1.773 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690733494 GHSSUXNCWMNNCA-OAHLLOKOSA-N 427.534 1.656 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCCO 1691334754 GWSMQGBOLXLRGQ-VAMGGRTRSA-N 446.596 1.772 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCS(=O)(=O)C1 1705559281 WHWIPSIGHHCXET-OAGGEKHMSA-N 437.566 1.553 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705564839 CZDFTHIZTCKEJX-ZWKOTPCHSA-N 427.530 1.620 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705567792 ZQWJDNSAQIEAED-PLMTUMEDSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1705571389 YPGXPMGRSZOARX-QGZVFWFLSA-N 432.546 1.866 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1705582618 FNEPFZMPLRLNAS-FQEVSTJZSA-N 437.569 1.706 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)NC(C)C 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1.868 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2COCCO2)CC1 1740698740 MZTDANDMHAIDGI-OAQYLSRUSA-N 425.533 1.243 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740841475 OOAOYRYEWVUTMJ-KRWDZBQOSA-N 436.582 1.084 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1740952836 OWQUIVCGDXKSJB-AWEZNQCLSA-N 437.497 1.094 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCOC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740964460 CKWWVESECWHMNX-XHSDSOJGSA-N 434.541 1.576 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncn(C)n2)C1 1740973716 CJDUZJHVPYUYTC-INIZCTEOSA-N 443.533 1.307 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740993538 DYMDQMXMEUMJRG-OAQYLSRUSA-N 434.562 1.822 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1741196839 ZJWWEIYMLWVCIJ-HOTGVXAUSA-N 428.541 1.031 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCNS(C)(=O)=O)C1 1741987613 GKNPSQVEKQWWCA-IBGZPJMESA-N 436.513 1.675 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@]2(CCOC2)O1 1743244793 KFUIFPADYCKVNG-JTSKRJEESA-N 427.505 1.600 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1743783600 OMGGFZNPMUPWFX-BSDSXHPESA-N 436.582 1.725 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1745780962 FSMOTMGSHKEQNB-UHFFFAOYSA-N 425.493 1.621 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1 1747664906 GQIGACGGSREUIC-UHFFFAOYSA-N 434.504 1.088 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1748103920 ASJCOFGMFRVYPX-OAHLLOKOSA-N 444.561 1.460 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748656029 JZOYAPPSQNKPED-JKSUJKDBSA-N 447.561 1.702 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](CC)N2CCCC2)CC1 1748971555 VHHYHNBLGBNKTF-FQEVSTJZSA-N 429.613 1.826 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCCS(C)(=O)=O 1749109419 LHHDUOIFJOUKSM-UHFFFAOYSA-N 445.387 1.919 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749450982 ZPEPWWIHPMRNDX-NRFANRHFSA-N 425.493 1.235 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OCC)cc1 1749669394 KDLHHJHUSBMVTQ-QGZVFWFLSA-N 447.561 1.518 30 10 IDEE COCCOC1(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1750028541 WKUCUESROGUZMR-SFHVURJKSA-N 442.520 1.590 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC=CCC2)C1 1750209393 GEEKDERSNZENBX-MSOLQXFVSA-N 434.566 1.707 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)C1 1750491408 ZAWDLPOECUUGTD-HOTGVXAUSA-N 432.525 1.646 30 10 IDEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1cccs1 1751246453 ADOSWFKMECJIJY-OAQYLSRUSA-N 438.513 1.634 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1760176074 YRCGEXCMWWRHTK-HKUYNNGSSA-N 431.562 1.874 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1760225919 CFMKCARAWLGRDP-UHFFFAOYSA-N 439.545 1.830 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)CC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1760242983 TZLHCWFNBXXRAQ-VPAKFMSCSA-N 425.533 1.685 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](COC)OC)CC1 1760254693 GMOZKCYVWFXKKH-IBGZPJMESA-N 435.532 1.752 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1760351584 ITFCDQUFUPHKMT-UHFFFAOYSA-N 435.550 1.625 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760519103 RQNQJWUEOZTMTO-QGZVFWFLSA-N 434.460 1.388 30 10 IDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CCCO1 1763197044 BRIQVHJWFPXUFY-PXNSSMCTSA-N 437.548 1.629 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766828847 RTBLHSBTAHZEIA-GFGLJSBJSA-N 444.536 1.704 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1771109553 VRJFLHUECWOTAN-WNRNVDISSA-N 440.548 1.749 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)cc1F 1865729838 UBIHLKLZFOBPQA-HNNXBMFYSA-N 444.438 1.257 30 10 IDEE O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933307 CXPCYSINQYTWFW-FUHWJXTLSA-N 431.489 1.771 30 10 IDEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCOCCO)CC1 1870349960 KQNLSTTYXTZDGT-UHFFFAOYSA-N 440.544 1.445 30 10 IDEE COC(=O)c1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874341271 GALUDQQTJGUAJW-XYHOIZSOSA-N 431.518 1.756 30 10 IDEE C=CC(=O)N1CCN(C2=c3cc(Cl)c(=C4C(=O)C=CC=C4F)c(F)c3N=CN2)CC1 2060446776 QIQWMIZVWVSRAS-UHFFFAOYSA-N 430.842 1.281 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2060625394 JTCNOGPPSCBLAZ-UHFFFAOYSA-N 433.318 1.860 30 10 IDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2211148936 NHULYLUDADJNRX-QXSJWSMHSA-N 425.526 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2247835098 GGFMRENKFQIZIO-UHFFFAOYSA-N 438.359 1.640 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632955 USMBIGGTSPARRG-TZMCWYRMSA-N 436.318 1.121 30 10 IDEE Cn1nc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2255843511 HYOAQCMOIZOTAG-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 2255875890 GJXSPYBPPYDBRP-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256674001 HAQXBXVIJFPUSA-CQSZACIVSA-N 439.293 1.734 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256924384 URZZOMLGJMGWGW-SFHVURJKSA-N 426.278 1.781 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)n1 2267187546 ZNXQJCFFRUQBHZ-HNNXBMFYSA-N 449.357 1.647 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(C4OCCO4)CC3)s2)OC1(C)C 2267375672 KIYBPLFHHCTZRV-UHFFFAOYSA-N 429.369 1.821 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 2267502436 NMURXHZYIBREHB-GOSISDBHSA-N 440.353 1.350 30 10 IDEE COC(=O)CNC(=O)COc1ccc2c(c1)OC(=Cc1cccc(OC)c1OC)C2=O 2297591499 YEGLMOQWEFKLPG-UHFFFAOYSA-N 427.409 1.988 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCCC2)cc1 2297646610 POQAMYMUFVDMOE-UYAOXDASSA-N 426.498 1.786 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)c(OC)c(OC)c1 2330772737 KVOBQIJORNWSMH-UHFFFAOYSA-N 437.478 1.087 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2334270342 BOAJGLAPOKCMMO-CWRNSKLLSA-N 446.357 1.940 30 10 IDEE CN(C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1)[C@](C)(C#N)Cn1cc(Br)cn1 2371783538 PKEBRGHBMRLVQJ-MRXNPFEDSA-N 442.314 1.934 30 10 IDEE N#Cc1cccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)c1 35425641 HEESMPFRPWAVKM-UHFFFAOYSA-N 429.440 1.391 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 427654412 BUWBNJSNYXIFOB-IRXDYDNUSA-N 435.480 1.597 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 441648445 PRLGIIUUPWNTLN-OAHLLOKOSA-N 432.546 1.973 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3cccc(F)c23)CC1 442909263 UTRHYYOPWGNPSK-UHFFFAOYSA-N 448.501 1.874 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1C[C@H]1CCCO1 461159070 LQNFFDPSBOBRLS-SJLPKXTDSA-N 431.504 1.896 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NCCCN2CCN(c3ncccn3)CC2)cn1 462086777 XYTDXRWGQNILLQ-UHFFFAOYSA-N 432.492 1.263 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)C1=O 479115139 LJADIFBWMJZLQN-ZDUSSCGKSA-N 427.335 1.170 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2=O 485984830 AOHROZWXLVJQAE-AWVSAENJSA-N 437.500 1.276 30 10 IDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn2)C[C@@H](C)O1 503398640 RKCTZPIYXYPUCO-ZSDSOXJFSA-N 433.509 1.719 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2OC)CC1 508928720 BPKNEQPEWIBESV-HNNXBMFYSA-N 435.525 1.841 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccccc1C#N 511066823 XDJAHOHHNIPKRA-UHFFFAOYSA-N 444.516 1.809 30 10 IDEE Cc1nc(SCC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C#N)c(C)c1C 554153634 FBKGVUDFRKFEQR-OAHLLOKOSA-N 425.580 1.358 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 610035153 NAZPUTYBYREAML-UHFFFAOYSA-N 442.487 1.151 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 614770060 WZQVSLASBDKUHG-CYBMUJFWSA-N 435.527 1.390 30 10 IDEE COc1cc2c(cc1C(=O)NCC#CCNC(=O)c1cc3c(cc1OC)OCO3)OCO2 681338871 IBJWSOKVGQJFRK-UHFFFAOYSA-N 440.408 1.324 30 10 IDEE C#CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 729333305 VHQACOWSTQIKHX-IEBWSBKVSA-N 445.541 1.612 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 733890427 FPSPFJUWMWRLHJ-UNEBPCJRSA-N 432.908 1.746 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)c2ccc(C#N)cc2)[C@@H](C)O)cc1C 748217899 SXOGAHYIADAZCF-FOIQADDNSA-N 430.482 1.629 30 10 IDEE C=C(C)[C@@H](CC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])OCC 756514642 FGCUTLOYECVRBL-QGZVFWFLSA-N 428.463 1.892 30 10 IDEE C#CC[C@@H](O)CNC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757485855 NRBJYCUQAWYKDC-QVKFZJNVSA-N 436.464 1.869 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 760926119 UEOPBNLPIMOQNV-HNNXBMFYSA-N 435.550 1.206 30 10 IDEE Cn1ccnc1[C@](O)(CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(F)(F)F 764739499 CNWMLMKGDAEYGQ-QGZVFWFLSA-N 434.382 1.834 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 780205058 KGILMCCLCHLCOS-OAQYLSRUSA-N 427.501 1.776 30 10 IDEE COc1ccc2c(c1)C(=O)N(CN1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 790439329 PPLLZXFRKIZUOD-UHFFFAOYSA-N 426.498 1.487 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 813564236 XHZBWEYAHJGGDQ-WMLDXEAASA-N 444.561 1.082 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)Cc1ccccc1 916807993 WELSRNIPGXVFBY-KRWDZBQOSA-N 449.554 1.786 30 10 IDEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 917036272 JESHUXUUGFWHQQ-QGZVFWFLSA-N 426.473 1.617 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2nnc3n2CCC3)CC1 918121274 GNJMHZLJUCRLLA-UHFFFAOYSA-N 442.545 1.449 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCO[C@H]2CCCC[C@H]21 919096562 CMZOJFNDJPGIGZ-MOPGFXCFSA-N 425.489 1.864 30 10 IDEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccccc1 1084564717 JPOFAXTZEDWCNW-UHFFFAOYSA-N 428.434 1.783 30 10 IDEE N#C[C@]1(C(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)CCCOC1 1124800081 QFDXKCLWMZLBKJ-RIMDVYMRSA-N 429.454 1.888 30 10 IDEE COc1cc(C#N)ccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1126099083 FRSBYUPEQGMARX-UHFFFAOYSA-N 428.514 1.433 30 10 IDEE C=CCCn1cc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nn1 1133399746 AAYYDWICIYIXSJ-AWEZNQCLSA-N 427.527 1.008 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC(=O)N2C)cc1 1134428885 FMNUGWWESMQYKW-GIOGAUJUSA-N 431.514 1.001 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC)cc2)s1 1135262324 QUYQRCGPKXBPNW-UHFFFAOYSA-N 429.545 1.302 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CCO2)c1 1137993895 DUWIFPHSFUPCTP-OALUTQOASA-N 440.887 1.786 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1141742207 TXDOGANRYKSKKP-UHFFFAOYSA-N 439.559 1.704 30 10 IDEE C#CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)CC1 1143054546 YHDVVKHLBMJHBF-QMDZLVRISA-N 438.571 1.252 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1251164942 XMDYJTBZDNZXJG-CABCVRRESA-N 441.506 1.042 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286346244 XLQUFNOFCCVXPC-KRWDZBQOSA-N 447.561 1.894 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnn2)CC1 1286470005 QCSLGRRBBNUZQJ-UHFFFAOYSA-N 447.547 1.584 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286470019 OSEWKCXYBJMJQH-FCHUYYIVSA-N 439.560 1.831 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)NC 1286720704 VIUXWDHMWVYFMU-UHFFFAOYSA-N 444.355 1.888 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286784333 FAQPFWTUAUCJNR-HOTGVXAUSA-N 426.521 1.895 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1286789369 RJPAAMGJUYOEHE-UHFFFAOYSA-N 448.531 1.296 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1286889372 DXFVFBRMRQRQMD-QHCPKHFHSA-N 436.564 1.558 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286963172 MBTDFJFWMHWJCN-UONOGXRCSA-N 437.957 1.871 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)C1 1288974866 HDNUTJBHSTYAGQ-MRUHUIDDSA-N 425.493 1.595 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@]3(C)COCCO3)CC2)c1C#N 1290578233 XDKOVKUQDQJDOT-QFIPXVFZSA-N 442.568 1.522 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nnnn3CC2)c1 1291722598 RDNBIXRODFRPKR-BXPXOOBPSA-N 445.549 1.857 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCC=C)CC1 1300688712 JZVXTPRASUMBMF-UHFFFAOYSA-N 443.349 1.765 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300707166 WNBNRCYTXIATNB-XXBNENTESA-N 425.533 1.195 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1300767892 YWYRQNFRHQAFOF-FRRDWIJNSA-N 426.457 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301575700 JTECCWXSNILJCI-KRWDZBQOSA-N 442.545 1.509 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301617622 GHTWTQRKKSGOEG-INIZCTEOSA-N 432.594 1.815 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1302158659 CTBHMFFFKUSBEP-LJQANCHMSA-N 442.520 1.449 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)C1 1303556417 GQQZVSSHLCACPL-WBVHZDCISA-N 427.567 1.440 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCCO1 1305207473 VHHIPAFUOUTLOF-MRXNPFEDSA-N 448.549 1.283 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CC[C@@](F)(C#N)C1 1314629452 POMXVRKPFOEGBT-CBGDNZLLSA-N 433.532 1.514 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315821150 LQRJQCBTNHHKDW-YESZJQIVSA-N 444.515 1.533 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2nnnc2-c2ccccc2)cc1 1355745955 OWHHLCZQSLDTMW-NKFKGCMQSA-N 439.501 1.792 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1358872282 RXJSMSJPTHFBLJ-DLBZAZTESA-N 430.578 1.799 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358961255 VGADWDGJQYSFGK-ZWKOTPCHSA-N 430.578 1.395 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)c(F)c1 1358976030 NWOPLLBKEBNRQC-UHFFFAOYSA-N 433.491 1.775 30 10 IDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1358976325 ZMYNGFWJFZRDCC-QGZVFWFLSA-N 436.541 1.923 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC(C)CC2)CC1 1359028606 XWANLXWEGYTLOY-UHFFFAOYSA-N 429.613 1.684 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359137321 MJPUYOGGIKNQSF-XFKSJGNHSA-N 433.553 1.842 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1359301231 VGBNUHSTDSMGAG-RHSMWYFYSA-N 427.461 1.092 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCO1 1360214720 AQLZRECVXSXLLK-MRXNPFEDSA-N 425.493 1.520 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1361161924 CJOQOGVOKYZVDE-HNNXBMFYSA-N 434.447 1.584 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)nn1 1439739969 JZWTXLHKUAOLEN-SFHVURJKSA-N 426.477 1.888 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCC1CCN(CC(F)(F)F)CC1)c1cc[nH]n1 1445335088 JXLFYHLPAOSQRJ-UHFFFAOYSA-N 433.431 1.474 30 10 IDEE Cc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1447266502 VENMGYMDOBOGIQ-UHFFFAOYSA-N 436.383 1.696 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cccc21 1457204760 XQIBXZLRSSKKMO-UHFFFAOYSA-N 437.456 1.815 30 10 IDEE C#C[C@](C)(CC)NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1460131403 LXARSTBDFUIRJK-HSZRJFAPSA-N 425.533 1.960 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1 1460188655 QRGZNFIHCRAGAS-QFIPXVFZSA-N 428.510 1.770 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3nc(O)c4c(C)c(C)sc4n3)CC2)C1 1471335204 DTOIVKFJRBVYPI-QGZVFWFLSA-N 442.589 1.939 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1475716446 DLYCDPCULJDDNX-UHFFFAOYSA-N 449.392 1.571 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1503159221 KVOCZTJPSNXUND-YLEKHRKWSA-N 430.509 1.519 30 10 IDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1504566894 IAHYPWRHCCZIOY-INIZCTEOSA-N 446.577 1.959 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(C2CC2)C1 1504887527 BXNRFJBDWNZDLK-IRXDYDNUSA-N 436.582 1.031 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1507560081 DCWFRJVOYPYNES-UHFFFAOYSA-N 440.529 1.230 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)c1occc1C 1507612032 UNEMJOBIVCUNRG-UHFFFAOYSA-N 445.487 1.712 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507636607 BHOSUUGFVKPFRA-ZWKOTPCHSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)cc1 1507672645 GLUMWJJURYRKHY-UHFFFAOYSA-N 446.536 1.880 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1 1507710938 MPYBZOICFLYICO-ZWKOTPCHSA-N 432.546 1.734 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1507791931 BZUUGQQIKJNYNG-GUYCJALGSA-N 428.331 1.506 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1507821290 YEBSNJZPKIOZEQ-LSDHHAIUSA-N 449.524 1.438 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1508088266 ADCGUQLBFYBNOY-GOEBONIOSA-N 435.525 1.819 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1508107517 CZCVLAMQWXWJQW-WOJBJXKFSA-N 445.612 1.321 30 10 IDEE C#CC[C@]1(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1517333804 MDCKGXSQXCWFIV-HXUWFJFHSA-N 427.567 1.662 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccnc3)nnc2N2CCC(CC#N)CC2)C1 1519528127 ALRVAELSXSLGAW-KRWDZBQOSA-N 429.550 1.752 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 1523979361 FWMSZVNBGAFLEU-UHFFFAOYSA-N 425.417 1.295 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CCCC 1528148119 SSJGBAKTJRHJDE-MRXNPFEDSA-N 429.521 1.692 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cccs1 1539250614 PQGVSENJPRFDHX-QFIPXVFZSA-N 444.524 1.963 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(C)C 1539668803 GGGVTNPUYJTKCA-KRWDZBQOSA-N 428.603 1.354 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1540200548 CQCUXAOSTOLBJE-SFHVURJKSA-N 439.582 1.078 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)c1 1540506014 FREGYNVQKAEMMR-UHFFFAOYSA-N 430.486 1.046 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1540876878 FAGSUBNPZNPAFV-KRWDZBQOSA-N 426.521 1.731 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccco2)C1 1540892197 HNNGMIHGLWKIPP-YRNRMSPPSA-N 436.534 1.462 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)CCC)CC1 1540908037 OSYVWPMQYDYQAZ-QGZVFWFLSA-N 439.582 1.616 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccco2)N(C)C)CCOC1 1541733584 SEILWZPRLRWKTC-JBYIUTFZSA-N 444.536 1.943 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1[C@@H]1C[C@H]1CF 1541942885 MITINSDYMZCFJL-CWRNSKLLSA-N 448.528 1.012 30 10 IDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)COCCO1 1542015626 PWOOTISTNMVDDR-PXNSSMCTSA-N 431.518 1.246 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1cc(F)c(C#N)c(F)c1 1556318810 ZAAKBHNGEVCFIZ-HNNXBMFYSA-N 431.461 1.781 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCC(O)CC2)cc1 1557640309 ZITSCMSJYQBHBN-UHFFFAOYSA-N 428.514 1.003 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N(CC)Cc3ccccc3)cc2)CC1 1558073048 KBIIJPRZDTTYSI-UHFFFAOYSA-N 440.569 1.939 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1588069133 HSJKCGKCDGRJKN-IBGZPJMESA-N 443.573 1.216 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1588074460 MXPKMIFVJZXTBV-RTBURBONSA-N 426.565 1.475 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1588628973 RYCKXQVZAJHFPM-QHCPKHFHSA-N 436.516 1.439 30 10 IDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OCC 1589370791 GCEAACAIXMBBFO-AWEZNQCLSA-N 438.424 1.878 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1594628149 ZSARPXLLEIWVCV-KSZLIROESA-N 441.598 1.829 30 10 IDEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OC(C)(C)C 1596306359 QCDCSKSJGBOBDL-UHFFFAOYSA-N 435.546 1.958 30 10 IDEE N#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(F)(F)F 1598394784 OFMUFWOFUZXFQG-ZDUSSCGKSA-N 425.816 1.935 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1611314645 MGBVNVXIYDCEQE-RDJZCZTQSA-N 441.511 1.622 30 10 IDEE CCCN(C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1614649580 FBFOOKFOTGQYSA-SFHVURJKSA-N 445.593 1.534 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CCO1 1618704185 RLVBZEJDXVHMOD-SFHVURJKSA-N 440.891 1.986 30 10 IDEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618732862 WLJSQRXEBHOTMS-LJQANCHMSA-N 425.510 1.812 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1619495846 FKZATAZYWCQYEL-RTBURBONSA-N 444.561 1.856 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCC1 1620111600 ZVPKEVLZAVCISM-SCTDSRPQSA-N 432.525 1.133 30 10 IDEE CS(=O)(=O)C1(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)CCCC1 1620149513 HTWVHZDTXDCLGH-UHFFFAOYSA-N 448.593 1.888 30 10 IDEE N#CCCN(CC1CC1)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1620358857 HJPBZZYOQWTQLB-QFIPXVFZSA-N 443.573 1.743 30 10 IDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC)nn1 1623597503 IGNJLNIGNSRESH-UHFFFAOYSA-N 434.522 1.559 30 10 IDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCN(S(C)(=O)=O)C1 1624836833 UHYHJLIVESECFK-QNBXZPKWSA-N 440.566 1.266 30 10 IDEE C=CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1625390252 UPQFZLZNWUWHEC-JWRWLIQVSA-N 437.562 1.975 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1630396798 JTBMQRSRCRZZAK-CZUORRHYSA-N 445.463 1.490 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc2C1=O 1642901591 QLCJPSOISNBGDL-OAHLLOKOSA-N 431.489 1.768 30 10 IDEE CCn1c(=O)c(=O)n(Cc2ccc(C)c(C#N)c2)c2cc(S(=O)(=O)N(C)C)ccc21 1643529752 IZNSVOYVHLNIHN-UHFFFAOYSA-N 426.498 1.662 30 10 IDEE Cc1ccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cc1S(=O)(=O)NCC#N 1652666499 NEGBIALPOFWZRJ-UHFFFAOYSA-N 427.482 1.987 30 10 IDEE C#C[C@@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1 1654036349 ALJWBEBLWWICMO-GOSISDBHSA-N 449.573 1.778 30 10 IDEE C#Cc1ccc(S(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 1655233454 TZBYJKBZZSBBLS-LJQANCHMSA-N 430.501 1.803 30 10 IDEE C=CCCC1(CNC(=O)N2CCN(c3nc(N)nc(C(=O)OCC)n3)CC2)CCCC1 1683984693 HGQYKMIRTDXEGM-UHFFFAOYSA-N 431.541 1.989 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689989456 FSYHDUXUXVGXSU-LLGFUMIMSA-N 448.545 1.300 30 10 IDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)F)CC1 1690113853 WLTBQMJGTAEBLK-UHFFFAOYSA-N 442.514 1.885 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1690299395 QALCVNVLKSAFGG-UHFFFAOYSA-N 441.536 1.823 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)CCOC)CC1 1690404690 NSEJXZJUNPHXKJ-UHFFFAOYSA-N 437.552 1.901 30 10 IDEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690486824 VESSCQYUKHRFMZ-KRWDZBQOSA-N 428.924 1.636 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCC(O)CC2)C1 1690709989 OLTIAMGTMXNUTQ-OAQYLSRUSA-N 426.565 1.892 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1690711535 CLVRKBQEEAEGAM-MRXNPFEDSA-N 437.541 1.890 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCOCC(F)F)cn1 1696853811 AMKTUPRZPCXMBU-UHFFFAOYSA-N 443.462 1.554 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1697030773 HZYQOHFERRDGKY-CEXWTWQISA-N 425.489 1.746 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1697115555 WCNDHCIXEIOZJL-JLCFBVMHSA-N 437.504 1.666 30 10 IDEE COc1cccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1697504081 FIJFFFYMHZAEIL-WOJBJXKFSA-N 436.520 1.719 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705569870 HTWBNKSXGFRZMW-SFHVURJKSA-N 435.594 1.506 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1705579175 PHSSTHMAJIPGJH-XDOYNYLZSA-N 430.468 1.553 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1c(O)nc2ccccc21 1705621388 ZDFJOFDIHAFPOP-UHFFFAOYSA-N 437.504 1.356 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(=O)(=O)CC 1705693666 JJFJIXMEAZRXPE-IAGOWNOFSA-N 439.582 1.366 30 10 IDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705719139 MUQHOEOXRBXAPA-GOSISDBHSA-N 435.598 1.824 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705726508 PTLFCYXRVMWNQS-UHFFFAOYSA-N 429.550 1.564 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1705727958 LVGPZASHOYHCTA-HNNXBMFYSA-N 432.550 1.821 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705909011 ZXTNDEGXDRPLID-IRXDYDNUSA-N 442.495 1.546 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1705909164 PIQAWJMRWNBHAH-IEBWSBKVSA-N 447.580 1.885 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706061011 HSOOAJRMMYVYDT-LJQANCHMSA-N 438.536 1.292 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCc2ccco2)CCOC1 1706669533 PRZYBCHEBGUERS-JOCHJYFZSA-N 442.520 1.968 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCOC1 1706894919 CCBYBXALMNHLEF-RWQQGDIJSA-N 444.561 1.668 30 10 IDEE CC[C@@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708562333 NUSQIDODMJOCNE-IGGDJGDASA-N 444.536 1.704 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1709938282 LRTYJANIYQWICP-OALUTQOASA-N 445.545 1.636 30 10 IDEE COCCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712598762 LVNCZTMLAVGHAF-UFVMTTLYSA-N 444.536 1.704 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1712688851 FCYUGPUFXBEDBT-SFHVURJKSA-N 449.602 1.946 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)C1 1712875265 AZYBAIMKQITUSY-QFBILLFUSA-N 425.530 1.829 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCSC(F)(F)F)CCO1 1712884899 VLHSIOXASLOSMD-JTQLQIEISA-N 430.412 1.988 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1722296525 QZBKOQZQBDZXNE-YJBOKZPZSA-N 433.534 1.126 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1722353181 SPZQAFAEKWLRJI-OAHLLOKOSA-N 436.563 1.063 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1722362865 WRZRWGPKADEBOQ-INIZCTEOSA-N 432.550 1.425 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1722401576 DDMWFFYEZUHKKU-LJQANCHMSA-N 427.530 1.483 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc(CC)s2)CC1 1722429767 SAPYPNTWSLHOEK-UHFFFAOYSA-N 430.582 1.414 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NCC(F)(F)F)CC1 1722439234 UBAOXSWXMPJICZ-UHFFFAOYSA-N 434.466 1.611 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1722501100 LPRGJVWDFPTESA-HUUCEWRRSA-N 433.600 1.258 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722620229 JVBGAUDVMYEOEP-OAQYLSRUSA-N 431.541 1.495 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722629428 KOHWRIXBJSMHAH-MBOZVWFJSA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722702092 DBDMOWHPRKDPNK-QGZVFWFLSA-N 429.525 1.359 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](COC)C1 1722724898 ISSCFLYOCBNXRV-MRXNPFEDSA-N 427.571 1.270 30 10 IDEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1727848602 JGKMXEFGKXCABI-ONEGZZNKSA-N 449.559 1.764 30 10 IDEE CCOCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729149724 LOOFYJJPPSOKDJ-UHFFFAOYSA-N 427.509 1.768 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1740553672 TVXGFFNPPZBUMT-JYJNAYRXSA-N 441.623 1.601 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740590446 HOIAOLYSJIQFPX-AWEZNQCLSA-N 426.502 1.129 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1740630345 BKBNLZKGXBBKTL-JOCHJYFZSA-N 448.589 1.749 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)N(C)CC)CC1 1740698847 XIJSTJVVJSBSBH-UHFFFAOYSA-N 432.475 1.780 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740788840 YBNJCUMRSAFXSY-SJORKVTESA-N 441.598 1.612 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)CC2CC2)CC1 1740833047 KKTYPINSUNQDID-AWEZNQCLSA-N 445.611 1.116 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1740887894 MQLUKDOYOCLDRM-QGZVFWFLSA-N 425.555 1.360 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1740946858 KMTMBBZTSDCXGE-IAGOWNOFSA-N 425.555 1.050 30 10 IDEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1744959702 MBGLOLYKIMIDTB-INIZCTEOSA-N 432.550 1.904 30 10 IDEE CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1746252589 HNGNYBIWDBWBDJ-UHFFFAOYSA-N 429.546 1.993 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)Br)CCOC1 1746733445 HNHOZHZUZOERMF-RISCZKNCSA-N 436.257 1.647 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC(C)C 1748672103 QHNSKEBBZGFRAP-IAGOWNOFSA-N 427.571 1.132 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1748745426 QWQLKYKSZNSAAS-LJQANCHMSA-N 445.593 1.923 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748815144 NRQJVSQUMIUNSQ-INIZCTEOSA-N 440.591 1.140 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1748831738 WFZLLYHEQFHUBL-QMHKHESXSA-N 440.500 1.584 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CC 1748886668 KZQBRSRZRVATBK-NRFANRHFSA-N 428.562 1.862 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1749115445 QDXLLALWNPSJLW-VQTJNVASSA-N 444.580 1.848 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1749268790 HDJZYCAIRUBOKT-INIZCTEOSA-N 441.941 1.706 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2)C1CC1 1749508589 UXDHAHQTHYFMIC-OAHLLOKOSA-N 448.597 1.604 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1749756200 URTQFHXIBLYNRI-GJZGRUSLSA-N 428.580 1.489 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1750193333 QBGJXTMRZBJIPH-IBGZPJMESA-N 447.561 1.619 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCS(=O)(=O)C1 1750441447 FSHLHBMAYJTPAI-ZDUSSCGKSA-N 430.534 1.545 30 10 IDEE 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C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1760517396 LDSAEBHCWRWUSB-GJZGRUSLSA-N 449.602 1.981 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1760696162 FFVWQOKBMNYYFF-SFHVURJKSA-N 445.589 1.989 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C1CC1 1761497344 DOEKTMLJSNLODA-CYBMUJFWSA-N 433.513 1.561 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCC(C)(F)F 1763043561 FUAAEXNIFBGINC-ZIAGYGMSSA-N 445.478 1.651 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@]2(CCCOC2)O1 1763081175 BXYHCVVIQKPJGT-FDDCHVKYSA-N 441.532 1.990 30 10 IDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1766510505 OVSAWHYFDWZAGF-KRWDZBQOSA-N 433.534 1.779 30 10 IDEE CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@@H]1CC 1766616745 DSFNFUJXZXYNDU-LPHOPBHVSA-N 441.536 1.679 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCC#N)CC2CC2)C1 1769064349 GBTDVVFBKGJJOG-QHCPKHFHSA-N 435.532 1.925 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN2CCCO)CCO1 1770748073 WLADAPWDPQHAKB-RBUKOAKNSA-N 441.492 1.429 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1771347116 AWCRWURQMRSLAP-LPHOPBHVSA-N 433.559 1.308 30 10 IDEE N#CC1CCN(C2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)CC1 1849644788 SCMRLEIUIYIDNR-UHFFFAOYSA-N 428.558 1.911 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1849644841 IGOWTRCAUCLGPQ-SFHVURJKSA-N 443.504 1.594 30 10 IDEE COc1ccc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2C)cc1Cl 1852506231 OSCCLEQAYIRJGW-UHFFFAOYSA-N 438.879 1.862 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)CCn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)n1 1853387422 YGGPJXZTDZPRDW-UHFFFAOYSA-N 449.902 1.964 30 10 IDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)[C@H]2Cc3ccccc3O2)C1=O 1857084991 YDXKCLWHOFJXSY-IFXJQAMLSA-N 425.466 1.859 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)CC1=O 1872917404 AFRVIYIYYGKYBW-IBGZPJMESA-N 443.544 1.636 30 10 IDEE CCCCCCCCN1C[C@H](C(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)CC1=O 1873017552 UXMNJPGYGOWFLW-OAQYLSRUSA-N 449.640 1.114 30 10 IDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCN2CCOCC2)cc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c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060622615 BVHUHOBDHDXWCU-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637621 MXOFFPUHNVEDPR-VHDGCEQUSA-N 430.314 1.970 30 10 IDEE CO[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2124538454 JZWAYXJYTCKXJZ-HNNXBMFYSA-N 448.329 1.596 30 10 IDEE C[C@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2248401300 HMJYNJLIEBQTQH-RYUDHWBXSA-N 438.359 1.843 30 10 IDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248429683 PRFHTTKFPUWLON-GFCCVEGCSA-N 441.359 1.598 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2255682868 NGXAQHFOGAHXDZ-INIZCTEOSA-N 434.342 1.910 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 2255693385 GXWHDDCPTPPKJB-KRWDZBQOSA-N 425.342 1.509 30 10 IDEE Cn1cc(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255817128 QBHVXGSVIRCPSU-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(Cc3ccccc3)CC2)n1 2255839781 YXBKPRPBZKQBJS-UHFFFAOYSA-N 425.342 1.462 30 10 IDEE C[C@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255841987 LLUMYHNRNIVLDQ-CMPLNLGQSA-N 447.288 1.971 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)nc2)OC1(C)C 2256922245 DUNLNTYSEYVQHV-GOSISDBHSA-N 426.278 1.781 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267013808 PIFMPGJPADIRSH-UHFFFAOYSA-N 449.357 1.861 30 10 IDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267180217 YPRQYQRITGZRRG-HALDLXJZSA-N 446.357 1.657 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267494030 BHQATKBVPRDNOH-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2267548464 SEVRMCMJAMESLA-KBPBESRZSA-N 449.361 1.538 30 10 IDEE Cn1nc(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267552352 RWSGGELDMKSORB-WOWRSWPSSA-N 446.357 1.895 30 10 IDEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N2CCC3(C2)OCCO3)OC1(C)C 2282872297 URMBSVNATJASNS-UHFFFAOYSA-N 431.266 1.402 30 10 IDEE C=CC[C@@]1(CO)CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2287689728 CIJJNGUNWAGLLQ-PXNSSMCTSA-N 440.518 1.489 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)OC1 2300256065 LDHPPJLDXVJLTM-LBPRGKRZSA-N 425.345 1.983 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)cn1 59913983 ZRWCCPAHWUZCDB-AWQFTUOYSA-N 445.509 1.020 30 10 IDEE CC(C)c1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443844 NXRLLWHLCCDIML-DLBZAZTESA-N 434.500 1.819 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409816657 DWPHDDJWVRBDAC-YGRLFVJLSA-N 425.454 1.573 30 10 IDEE N#CC1(CS(=O)(=O)N[C@H]2CC[C@H](NS(=O)(=O)CC3(C#N)CCC3)CC2)CCC1 477491999 XMYOCUGVFUFLIE-WKILWMFISA-N 428.580 1.524 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 488587635 ZOXHKYYQQQHNLC-VXGBXAGGSA-N 432.868 1.975 30 10 IDEE Cn1c(=O)c2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)nc2n(C)c1=O 499387505 HXOJISHOEKMKMZ-CQSZACIVSA-N 428.246 1.389 30 10 IDEE Cn1c(N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(C#N)c(=O)n(C)c1=O 500913830 DDKAGFXDNFUNKO-HNNXBMFYSA-N 433.472 1.315 30 10 IDEE C=CCN(CC(=O)N1CC(=O)Nc2ccccc21)CC(=O)N1CC(=O)Nc2ccccc21 507325892 LAJNHJYLEVHGGV-UHFFFAOYSA-N 433.468 1.445 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C)CC1 508443482 DKLGSGBRQBKMNV-QGZVFWFLSA-N 428.537 1.778 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 509016445 ZXRYVCDZRBVLFP-MSOLQXFVSA-N 438.598 1.109 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 509164339 GUBMKFDJIKHHCI-ZDUSSCGKSA-N 436.353 1.365 30 10 IDEE CC(=O)NC1CCC(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 510805810 ZXQAGYJYVYMEEX-UHFFFAOYSA-N 428.880 1.899 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccccc1 519578212 KOUHVNYHVBERFW-UHFFFAOYSA-N 448.548 1.781 30 10 IDEE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C#N)cc3)C2=O)cc1 526674201 CHBJNAIFPFIEDQ-UHFFFAOYSA-N 444.856 1.819 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 540604298 HHJXJBPQMKIEKI-AWEZNQCLSA-N 432.506 1.923 30 10 IDEE C=CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cc(OC)cc(C)n2)c1=O 540696703 SZYDLJBVVYFUSW-UHFFFAOYSA-N 448.552 1.677 30 10 IDEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549247852 DNKYFESAIMMSNM-IBGZPJMESA-N 433.516 1.951 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N 553880203 BLHNSJFKGFJCCR-NSHDSACASA-N 436.353 1.413 30 10 IDEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)ccc1C#N 555168010 MLHCRHUFKBVALG-UHFFFAOYSA-N 435.531 1.548 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCOC3)CC2)c1 555485805 HZOCCVARAJDRCH-LJQANCHMSA-N 430.516 1.894 30 10 IDEE CN(C)S(=O)(=O)c1cccc2c1CCN(S(=O)(=O)Cc1ccc(C#N)cc1F)C2 556395138 HFLXLFRYCPTPKH-UHFFFAOYSA-N 437.518 1.836 30 10 IDEE CCNC(=O)C[C@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 581420508 FIRRUEWTTALDKW-MSOLQXFVSA-N 425.489 1.671 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCOCC(F)(F)C(F)F)CC1 584012351 ODMQOULJOSBLRI-UHFFFAOYSA-N 437.415 1.698 30 10 IDEE CCOc1cc(C(=O)N[C@H]2CCN[C@H](C(=O)/C=C/C(=O)O)C2)cc(OCC)c1OCC 585830123 LQOCIIVMWITOOL-HABDOHHLSA-N 434.489 1.943 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 603797676 FBOZRKXVCDHKQA-OAHLLOKOSA-N 447.582 1.196 30 10 IDEE COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1F 610865374 FXCRVWBQMYQFRE-UHFFFAOYSA-N 431.445 1.631 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCN)c1 707372967 GNWKILFXBVUJOX-INIZCTEOSA-N 425.510 1.664 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730140284 FEODTXPALMTRKK-SFHVURJKSA-N 433.578 1.439 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cn1 730144973 UZTJTORWDHNLDC-CVEARBPZSA-N 435.550 1.269 30 10 IDEE CC(C)(C)OC(=O)NCCOCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 732553124 NFRHQUDLTMZOLT-MRXNPFEDSA-N 434.518 1.940 30 10 IDEE N#C[C@H](C(=O)COC1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 735397393 DAIRCFCVYFMLSL-LJQANCHMSA-N 449.529 1.704 30 10 IDEE Cc1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n(-c2ccc(C#N)cc2)[nH]1 740691470 SYBUKMPSMISRDS-UHFFFAOYSA-N 433.428 1.866 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)[C@H](C#N)C1 755549061 GTEHHMDNHTZSPW-GDBMZVCRSA-N 428.493 1.496 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767882959 WOGJMCCWDGPPIY-UHFFFAOYSA-N 440.550 1.070 30 10 IDEE COc1ccc([C@@H](CNC(=O)[C@@H](O)c2ccc(C#N)cc2)N2CCOCC2)cc1OC 780864028 VJIDRBNVOWBBGJ-KNQAVFIVSA-N 425.485 1.799 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)n1 788330270 FWCPWDLNZGVMII-INIZCTEOSA-N 430.486 1.145 30 10 IDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)CC1(C#N)CCCC1 796242678 LWDYSEMWZNAWEK-OAHLLOKOSA-N 429.539 1.885 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 803698190 HKGUYBYFWZRMJH-IRXDYDNUSA-N 446.525 1.629 30 10 IDEE C#CCNc1nc(NCC(=O)NC2CCCCC2)nc(NCC(=O)NC2CCCCC2)n1 804394758 WKTMLALZAXFUCX-UHFFFAOYSA-N 442.568 1.638 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 807514432 SSROSJHWSCFZTH-UHFFFAOYSA-N 446.939 1.961 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2cncn2Cc2ccccc2)nc1 809176223 OSTALKVXOURMGI-UHFFFAOYSA-N 430.511 1.587 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 811328524 SAOHHTOAKPANKE-IRXDYDNUSA-N 448.545 1.837 30 10 IDEE C[C@H](CC(=O)N1CCCC[C@H]1CCS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 816805307 SSQBHWVDUFAIFG-CABCVRRESA-N 441.575 1.320 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCCC1 1116574127 CDIITYRCKQIKNW-HNNXBMFYSA-N 429.539 1.885 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1130133428 OZLOMSMGDATBRI-ZVZYQTTQSA-N 434.518 1.475 30 10 IDEE N#Cc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 1136476939 PDYSLHYFSWRBHC-UHFFFAOYSA-N 442.497 1.190 30 10 IDEE C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 1141324985 AYNIBXVPKZAXJE-WVDGROQASA-N 428.464 1.910 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccccc1)C1(CO)CC=CC1 1144492726 MURNYOSOTXINFN-HXUWFJFHSA-N 425.510 1.911 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cc1 1160506427 GFDDQILMDDAKHE-YVLHZVERSA-N 435.465 1.536 30 10 IDEE COC(=O)C1(C#N)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1194392882 FGIYLBIIZBSGJI-UHFFFAOYSA-N 448.545 1.578 30 10 IDEE N#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1196038933 HCGXROGBSZRQDI-INIZCTEOSA-N 435.506 1.053 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)nn(-c2ccc(F)cc2)c1N 1254656990 VZUXJOYOQOFJLX-MRXNPFEDSA-N 439.495 1.708 30 10 IDEE C=CC[C@H](CO)CNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1255639960 YKPMFMSOBZZOHK-HOTGVXAUSA-N 425.526 1.803 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286379615 YKRGQVYPAGFNAD-OAHLLOKOSA-N 428.459 1.123 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)OC)CC1 1286492112 HQVSFSNRBHQMCP-KRWDZBQOSA-N 441.532 1.866 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1286492724 IJUTYAXCKFRPBT-AZUAARDMSA-N 428.581 1.480 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1286501024 KDDKIUADAITAKV-GOSISDBHSA-N 443.573 1.850 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1286654566 DNCXUDVMHNIYFA-HRAATJIYSA-N 432.525 1.321 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1286727635 VZIYOYKKCSXJRM-GOSISDBHSA-N 435.550 1.428 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)c1cccc(C)c1 1286815785 ARQGAQMGBMBBJU-OAHLLOKOSA-N 441.579 1.565 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccc(C(F)F)n2)CCOC1 1288321985 NJXOSQDVPUOSTD-VLIAUNLRSA-N 449.462 1.823 30 10 IDEE N#Cc1c(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)nc2n1CCOC2 1289682982 FFYAPAUTAZDDTJ-ZDUSSCGKSA-N 428.836 1.782 30 10 IDEE CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1290448576 AWJBUOMNIIZPBR-INIZCTEOSA-N 431.924 1.235 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)c1cccc(O)c1 1300327703 FKQMGGSWHXWDFC-KPFFTGBYSA-N 441.532 1.986 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2(O)CCOC2)c1 1300331301 IBLGYKOTXYGZBE-HSZRJFAPSA-N 432.484 1.548 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1300430964 QYVLIKJVFLSXKA-UTKZUKDTSA-N 432.546 1.654 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300479745 RRMWKNDRVGQKRL-RCCFBDPRSA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300497666 BXIADFAMPAXLOR-FQEVSTJZSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1300586649 HHIQREUXCGCUOP-UHFFFAOYSA-N 431.500 1.552 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1301342196 SFDVENWTOKQQMK-OAQYLSRUSA-N 447.561 1.159 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1303628849 GFFHMFVGFVYMEJ-RHSMWYFYSA-N 434.508 1.574 30 10 IDEE N#Cc1cncc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)c1 1303861901 QVUJLVYRIZQUCV-MRXNPFEDSA-N 434.543 1.870 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1315025636 CTOUVHKAPDYPJW-UHFFFAOYSA-N 430.534 1.356 30 10 IDEE COCCCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316053316 TZKYZGNWCHWQRH-ICSRJNTNSA-N 427.505 1.974 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1316359408 VHRVQTXNRMPJPK-CQSZACIVSA-N 429.506 1.094 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NCCN3CCc4ccccc43)CC2=O)cc1 1318156762 LDYOVRBJTUBYCE-IBGZPJMESA-N 432.480 1.633 30 10 IDEE COC(=O)c1coc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(C)c2)c1 1321595912 HGHZNEVZRPFOQQ-UHFFFAOYSA-O 432.522 1.523 30 10 IDEE C=CCn1c(-c2ccc(C)cc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 1338761460 ILJWBPBZNNFAMG-UHFFFAOYSA-N 432.550 1.139 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1 1342261729 ACNIODRFJSBGJN-MRXNPFEDSA-N 439.534 1.915 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1358886056 WWHFLIVTRXKAHQ-ROUUACIJSA-N 449.559 1.854 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1358891609 JVWVFCJKMWVKRQ-SJORKVTESA-N 437.541 1.443 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1cnnn1 1358895118 CTIIEAJLYDQRDX-FQEVSTJZSA-N 448.579 1.178 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966541 RHQXGSHYSGQJNE-CMKODMSKSA-N 449.621 1.357 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358977391 LGXYRTGDHVEWBN-IAGOWNOFSA-N 428.537 1.805 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1359014146 YONBTSWCMQGKIN-UHFFFAOYSA-N 428.512 1.620 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cc[nH]n1 1359016273 WCPKEMDCYSFGTB-UHFFFAOYSA-N 447.478 1.611 30 10 IDEE C=C(Br)Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359088718 RLFJLYOBJHGUMT-KDOFPFPSSA-N 442.358 1.894 30 10 IDEE C=CCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290447 BJDVCWJDUAEVEV-NRFANRHFSA-N 431.541 1.908 30 10 IDEE CC(C)(O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1359598433 APKRPLMWAVFNPB-UHFFFAOYSA-N 437.548 1.873 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1360345387 HACVFCJRFHQLEL-BTYIYWSLSA-N 428.493 1.533 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cc2=O)n1 1440679836 CNXGOXFNZRMVSE-LJQANCHMSA-N 435.463 1.734 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)c1cccc(C#CCO)c1)c1ccc(S(C)(=O)=O)cc1 1448537406 LFQKZTKLNCJHTF-JOCHJYFZSA-N 429.494 1.642 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CCO)C[C@H]1C 1451354941 LJAZTKRCNXQUPZ-CYBMUJFWSA-N 426.311 1.623 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)c1 1454282926 BJFSXWOVKVYXQB-UHFFFAOYSA-N 425.554 1.992 30 10 IDEE CC(C)c1cccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1 1459208235 BVVHJNWYRSUOEA-UHFFFAOYSA-N 426.473 1.985 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1462222249 MRFRSZLQUWVZGY-TXEJJXNPSA-N 436.262 1.171 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(F)(F)F 1468476867 AYZSHXBXAGKRHV-FSNWXROXSA-N 435.424 1.370 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1469509507 JIRXDTQREYJLLG-CABCVRRESA-N 439.500 1.952 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2(C(=O)N3CCOCC3)CCCCC2)cc1 1472356122 GJJDFHLMSSTBIH-UHFFFAOYSA-N 433.530 1.151 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)N(CC(F)(F)F)[C@H](C)C3)CC2)o1 1473861705 IIWFEKTYGFTVLP-OKILXGFUSA-N 428.459 1.460 30 10 IDEE COCCn1nnc2c1CCN(S(=O)(=O)c1cc(Br)ccc1C#N)C2 1475329192 HBPUKFQVWYCXRT-UHFFFAOYSA-N 426.296 1.306 30 10 IDEE CCOc1ccc(C2(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)CCOCC2)cc1 1477576432 HMFHNFNNRWEUFT-UHFFFAOYSA-N 441.488 1.267 30 10 IDEE CC/C=C/Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1499797142 ZNYSYQRBWATFAW-SQRWCISFSA-N 444.565 1.448 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C[C@@H]1C 1503888825 GMLYPGSDSGAERG-KSFYIVLOSA-N 440.504 1.899 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507580809 HCPNVZAKJMVYFQ-OAQYLSRUSA-N 440.596 1.323 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC1CC1 1507603179 MEHDOBXSCNJMMQ-UHFFFAOYSA-N 426.340 1.930 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507648183 LNHSWCNKKYDMOI-OAQYLSRUSA-N 427.512 1.709 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507660833 ZYBMFTGPRTYGFQ-MRXNPFEDSA-N 433.509 1.569 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1507672013 SSODAVXKMCYCTP-SFHVURJKSA-N 431.518 1.024 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1507679200 IIUCYKUQOAWPOS-AWEZNQCLSA-N 445.549 1.291 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507724129 HVLBYYJOHGURCA-IBGZPJMESA-N 427.574 1.367 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1507746689 SMBFGYXDIOIEOG-CRAIPNDOSA-N 427.596 1.262 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1507758625 QWURUXDGNPDCAJ-RXVVDRJESA-N 430.578 1.473 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507800831 QBZSAXHYAGCDIT-LFEHRJTNSA-N 428.493 1.077 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1507809725 XGNAJPIXQMDUDD-BQFCYCMXSA-N 432.569 1.845 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1507942827 FMJFXDPKNCDHRG-FPXQBCRKSA-N 427.571 1.627 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1508026962 KDPBCOHIQYLCAZ-HXUWFJFHSA-N 431.518 1.651 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508092411 PPOQNQVDBWWZTL-CQSZACIVSA-N 427.431 1.209 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSC(F)(F)F)C1 1508117599 UXOYEIVCJMELMI-NEPJUHHUSA-N 443.517 1.923 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)C1 1508121282 DABDEWLZBNRBIA-GJZGRUSLSA-N 430.534 1.502 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C1CCCC1 1508145318 LOBWDJBBOQNWHS-OAHLLOKOSA-N 430.596 1.550 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccs1 1517352697 IDRLRRNWWATXPY-UHFFFAOYSA-N 446.558 1.909 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3ccc(C#N)o3)C[C@H]21 1519452635 BMYKLNRRYCRWGH-VJUNAUMWSA-N 434.522 1.120 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1OC 1521192580 IERGBLVVJSYXBG-GOEBONIOSA-N 446.504 1.852 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(C)S(=O)(=O)CC 1538993024 CZTBFJZQKXSJMQ-INIZCTEOSA-N 447.561 1.846 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1539043158 NRVUDVOTXLKWSZ-QURGRASLSA-N 447.499 1.423 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1539126101 RXTFHTZEWYSWJB-IRXDYDNUSA-N 441.623 1.602 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1539203430 PPZYXKCEFLZUJY-CVEARBPZSA-N 447.527 1.912 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(O)CC)CC1 1539462017 AQEIOXZAMRBAMT-IEGUWTFLSA-N 446.596 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(C)CCOCC2)CC1 1539469968 VXBLILPDYKYGFY-SFHVURJKSA-N 447.580 1.785 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1539483147 ZPRLASNEIMEMSN-ZQHDKMAOSA-N 435.594 1.295 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1539750793 CLRKLXKRNBYOAM-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2ccnn2)CC1 1539758379 LTLWKHWIZDYXOZ-UHFFFAOYSA-N 428.541 1.501 30 10 IDEE C=CCN(c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1540111398 ITINCLZEGKRKCV-UHFFFAOYSA-N 448.618 1.797 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1540877419 UNRYGPKLEHDTBV-GOSISDBHSA-N 442.495 1.533 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC(C)(C)C1 1540899901 DOUFKGRBDXNPEZ-UHFFFAOYSA-N 448.545 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccn2)CC1 1540902540 LQUHFVBFGGQBCL-GOSISDBHSA-N 446.577 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540905200 RGIXLWXMLPHPDW-OAHLLOKOSA-N 432.612 1.481 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1541115642 CHGVRPIMLKHVQQ-DLBZAZTESA-N 436.582 1.569 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1541116024 IENMGKLMAVKEBU-NZSAHSFTSA-N 440.552 1.588 30 10 IDEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC 1544352125 OQJLXDXPTZNKKP-WMLDXEAASA-N 439.490 1.620 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C 1547710819 BAEFFNRYDWYYLP-SJLPKXTDSA-N 428.562 1.782 30 10 IDEE CS(=O)(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555804212 NEUHJTYGHMCKNZ-AWEZNQCLSA-N 446.533 1.142 30 10 IDEE CN(CCN(C)[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(S(N)(=O)=O)cc1 1559865112 FWVXHNCWFFAJNN-KRWDZBQOSA-N 433.559 1.441 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 1565490824 XBPHZBBLMPSNDL-UHFFFAOYSA-N 431.436 1.651 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCS(=O)(=O)CC1 1587600281 WUSOBYHHWRISMR-OAHLLOKOSA-N 440.533 1.204 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588034252 BZSNVVKNTJCODM-KRWDZBQOSA-N 445.545 1.059 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1588045031 FTPAOYPRJMBQDM-ROUUACIJSA-N 432.546 1.542 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588053251 BRTGDDSUMFFTAW-RBUKOAKNSA-N 446.577 1.394 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588070355 ZIHSCVBROGDYQB-IRXDYDNUSA-N 449.552 1.573 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1588620310 SYNOJIXWQIGSFV-INIZCTEOSA-N 430.896 1.673 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1594237889 YGIBFFULFYJFKS-HOTGVXAUSA-N 428.580 1.017 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cnccn2)CC1 1595804936 ITEPRISPXFDIAL-UHFFFAOYSA-N 433.582 1.584 30 10 IDEE C=CCNC(=O)CNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1597688927 MPZWKDDQXRJGNL-NSHDSACASA-N 428.440 1.430 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1610403787 UIDIHYLLWIPBGF-FCHUYYIVSA-N 430.553 1.927 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCOCCCO)C1 1611768691 ARNDULGFCLTKDQ-HXUWFJFHSA-N 432.550 1.799 30 10 IDEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1611790652 JOHKCVURFIIGDZ-GOSISDBHSA-N 445.545 1.779 30 10 IDEE CCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1614022795 JTLQDLUDVJDXNJ-CMTMBAJVSA-N 441.458 1.440 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2[nH]c3ccccc3c2C#N)CC1 1617114603 XYSCMASOFIICLT-UHFFFAOYSA-N 437.525 1.906 30 10 IDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1621715480 RUHLOEBWUJNFDP-JYJNAYRXSA-N 440.541 1.822 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)C1(CO)CC=CC1)c1cc[nH]n1 1631825726 IVSLHQBCYLQMPW-FQEVSTJZSA-N 426.473 1.880 30 10 IDEE CCCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CC(=O)N(C)C1=O 1633775004 LWNORBIGFJEVKL-INIZCTEOSA-N 433.306 1.753 30 10 IDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1638416717 XHSOULRDYMRNDG-QGZVFWFLSA-N 430.310 1.188 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1638478431 BARJYMFGBYNVJO-UHFFFAOYSA-N 427.505 1.377 30 10 IDEE C[C@@H]1Cn2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2CN1C(=O)OC(C)(C)C 1652520726 FBRDVWGXXZITSR-CKNLXJGOSA-N 449.533 1.033 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 1653704250 ZFBNHKHOBOOXID-IRXDYDNUSA-N 446.388 1.759 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)ccc1C(F)(F)F 1656636898 AHYFFGOOTLNJTL-MRXNPFEDSA-N 446.495 1.652 30 10 IDEE COC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 1673526790 FYTNRCVCCOJUEH-UHFFFAOYSA-N 429.458 1.278 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)c1 1687790257 YSTLOQMTHBPFBI-GOSISDBHSA-N 435.488 1.693 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1689846651 MBFFJGCPWHVIJC-OAHLLOKOSA-N 428.518 1.619 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@]2(O)CCOC2)c1 1689871976 KNGYHVCVTIFWQB-XMMPIXPASA-N 446.511 1.472 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1689988506 QKYSADNSXDZNNU-QGZVFWFLSA-N 434.566 1.511 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1690003554 QIWYCQXUTIEBGN-CVDCTZTESA-N 438.532 1.404 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1690015445 MUNIGOZXFDTOJV-JOCHJYFZSA-N 445.571 1.514 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1690080160 ITOOJRNDCHKRHN-KRWDZBQOSA-N 426.546 1.801 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1Cc1ccccc1 1690102917 XJABEYIVXMYARX-SFTDATJTSA-N 436.560 1.980 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCOCC1 1690588261 ONYQOWRBFLXRDC-GOSISDBHSA-N 435.536 1.820 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](COc2ccccc2)C1 1690678028 IRITWOXQPCEASW-RBUKOAKNSA-N 427.505 1.716 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1692590072 BMBKGJNRFKQHOB-AVRDEDQJSA-N 440.504 1.195 30 10 IDEE CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692613298 NZOMYPDOPUUPCO-QGZVFWFLSA-N 425.493 1.579 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)n1 1693199946 GLDXVZLJTYWLSS-RBUKOAKNSA-N 425.537 1.734 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC2CCS(=O)(=O)CC2)n1 1693420396 IDTVYPQGMSVPNX-UHFFFAOYSA-N 431.566 1.705 30 10 IDEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CCOC1 1697237407 ALSQSQVFKUUVLR-JOCHJYFZSA-N 427.505 1.743 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)c1 1697308128 GBZIBBXIQZAOGJ-QGZVFWFLSA-N 435.506 1.126 30 10 IDEE COC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1697765505 NVLQRECYYJTPRL-MSOLQXFVSA-N 431.566 1.472 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCN1CCCS1(=O)=O 1705547287 BLPVAQLPXYGBJY-UHFFFAOYSA-N 447.561 1.846 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC(=O)N(C)C)CC1 1705635710 IAGFPYVSGWKGMJ-UHFFFAOYSA-N 445.365 1.859 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NC(C)(C)C)CC1 1705649382 VUFYYAAPJUPFAM-UHFFFAOYSA-N 439.564 1.554 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1705709515 QKGTYEICDVBCPV-ZWOKBUDYSA-N 442.582 1.392 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705784219 MEJJNUUAUNFHRI-HXUWFJFHSA-N 434.566 1.092 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1705894514 BKENEDLAJRBKSL-KRWDZBQOSA-N 430.484 1.436 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)O[C@H](C)C1 1705932832 LJKAVSUAGAHYDI-HUUCEWRRSA-N 434.518 1.888 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)COC)CC1 1710328333 DBCPFYZMNKXDFA-KRWDZBQOSA-N 425.537 1.357 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1711586794 DZGXLEMQEHIOEH-DYVFJYSZSA-N 442.442 1.502 30 10 IDEE COC[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712268603 RGDCOYSXNLGAJK-YUMLTWSLSA-N 430.509 1.171 30 10 IDEE COCC[C@](C)(O)Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712328089 ZRIUJURNRGGHJM-QFIPXVFZSA-N 425.537 1.611 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCS(=O)(=O)NC(C)C)c1 1722309895 QWDDSFUGYSAZCQ-UHFFFAOYSA-N 444.561 1.540 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1722314459 NZFNLXIJLVGUJU-ZWKOTPCHSA-N 427.553 1.850 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1722350915 DWCNSAXOTJPHDP-OAHLLOKOSA-N 440.570 1.011 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1722428122 CIMCAZFODUXHPP-GOSISDBHSA-N 437.610 1.388 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)Cc2ccccc2)CC1 1722440126 CUHHXQHVSCTRDJ-UHFFFAOYSA-N 449.603 1.678 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@H]1CC 1722549967 CRFMYSICDHJRDR-CQSZACIVSA-N 437.957 1.706 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)nc2)CC1 1722581549 JDSLSJDAEVIAAG-IBGZPJMESA-N 446.577 1.765 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722697088 FQQUNSDZCMYUGL-MJGOQNOKSA-N 425.537 1.189 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722700867 XNWIERCLNQMXLA-IBGZPJMESA-N 435.536 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(CC)C1 1722724130 OKESGWXNJRDNRJ-RHSMWYFYSA-N 433.600 1.116 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1722862448 BTLVXZJQJOWQBE-SJORKVTESA-N 445.593 1.937 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC[C@H]1COCCO1 1723626183 ACVHKNMTJHLOEJ-AABGKKOBSA-N 438.532 1.965 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1723781304 YNHHAFZNWSADPV-CABCVRRESA-N 440.570 1.833 30 10 IDEE Cc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726383249 NYBDQVOQMMJFRN-CILBIJLJSA-N 426.452 1.350 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC[C@H]1C 1730387407 LNRZJKCKQGUASJ-YLJYHZDGSA-N 438.532 1.927 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[C@@H]1C 1730387411 LOCYJRGPDVNQKE-RRMPHLOHSA-N 445.545 1.228 30 10 IDEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1730492073 KFMRKDXSVJWARW-GOSISDBHSA-N 441.511 1.583 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCOCCCO)CC2)nc1 1731182562 JRZLAKAUPRSEEL-LJQANCHMSA-N 441.536 1.164 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628971 XREFPFSSHMMKLO-RBUKOAKNSA-N 437.610 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1740639833 FZFPGMQDBZFHMJ-QZTJIDSGSA-N 426.546 1.336 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(CC)s2)CC1 1740689907 KKRFNJFNXMFZEI-UHFFFAOYSA-N 437.533 1.143 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCN(CC)CC2)CC1 1740694718 RPLDMYULUPUXJA-JOCHJYFZSA-N 443.640 1.693 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1740702851 AKBKLVJJSOVFPV-HXUWFJFHSA-N 449.603 1.763 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740803641 LSVMQSGIIOFDKZ-HNNXBMFYSA-N 449.943 1.575 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCOCC2)CC1 1740832797 IMGIEZBLKRMRLJ-IAGOWNOFSA-N 440.614 1.259 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740843195 ASFUFGXGXVSXCA-ARFHVFGLSA-N 438.598 1.738 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccc(C)cc1 1740951347 VSVUORCSSHJADB-UHFFFAOYSA-N 426.521 1.640 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1740953129 WOMRRAFCWCNBAL-HNNXBMFYSA-N 444.511 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740992691 LQXLAFCEBCZARO-ZWKOTPCHSA-N 444.561 1.112 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1C(C)(C)C 1740995685 USKWJTOQMVMYDW-UHFFFAOYSA-N 437.545 1.432 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1741133264 PKMZDDQTOMWHMY-NVXWUHKLSA-N 444.540 1.964 30 10 IDEE Cc1c(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1742082944 VKZIDEXLWVHKPR-GOSISDBHSA-N 426.525 1.339 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1745194592 RZHJJRNUMGAMJC-JLEJFLCFSA-N 432.569 1.730 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1747728844 FGKZVDRRZUIFTQ-UHFFFAOYSA-N 442.545 1.599 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)cc1 1748669673 HDBYFRQSRIUJQK-PZJWPPBQSA-N 440.548 1.919 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1748902165 CCBXEUZSXCYNTJ-UHFFFAOYSA-N 425.514 1.626 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1749286787 RGOYUBIZVSJYHR-ROUUACIJSA-N 440.614 1.402 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749449659 RQULULMKEFDMDU-INIZCTEOSA-N 434.518 1.890 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)C1 1749707353 DKYVFIPPPIHYLR-GUDVDZBRSA-N 432.569 1.367 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccoc1 1749735224 PWQCQRKIQIOJIL-OAHLLOKOSA-N 428.536 1.010 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1750990370 GXYDYQFNGZTZHB-OAQYLSRUSA-N 442.545 1.356 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@H](C)N(C)C)CC2)c1C#N 1751827509 DZZQTHFWESVGGD-FUHWJXTLSA-N 441.584 1.362 30 10 IDEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)s1 1751865437 CGVVJZQTQNEIBM-OAHLLOKOSA-N 435.579 1.713 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760132076 CJUIJVYSWRQXSU-JOCHJYFZSA-N 441.557 1.869 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1760175894 UOTWWOXMAWHVAM-INIZCTEOSA-N 448.545 1.714 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1760247735 NCKNHHCZWRKLAS-UHFFFAOYSA-N 443.467 1.791 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)C(C)(C)C)CC1 1760259073 XQJVKYIUWNRAOU-UHFFFAOYSA-N 438.532 1.591 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@]2(CCOC2)C1 1760302180 VLOLHNXNKXMSMG-PBHICJAKSA-N 431.331 1.906 30 10 IDEE C=C(C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760349619 SONJLUKZFHLSOH-IBGZPJMESA-N 427.571 1.413 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCNC2=O)CC1 1760520727 XWOOXVZJOXAXNK-UHFFFAOYSA-N 443.939 1.895 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1761077723 GVOXFYADRPACKT-QGZVFWFLSA-N 433.582 1.923 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1764562708 HKKWLKDTBQGOLK-OAQYLSRUSA-N 442.545 1.358 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1767437956 BKAXMOZIKIKPSD-FCHUYYIVSA-N 442.495 1.780 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769390730 KSJKIARDQJFJMO-UFOSLELVSA-N 439.476 1.189 30 10 IDEE O=C(CC[C@@H]1NC(=O)N(c2ccc(F)cc2F)C1=O)ON1C(=O)c2ccccc2C1=O 1772791655 WPQRQYZBIYCXHL-AWEZNQCLSA-N 429.335 1.924 30 10 IDEE Cc1ccc(-n2c(C)nn([C@@H](C)C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)c2=O)cc1 1851713667 LGUZEXGSNGSBKI-KXBFYZLASA-N 434.456 1.842 30 10 IDEE CS(=O)(=O)N1CCN(c2cccc(OCC(=O)Nc3ccc(CC#N)cc3)c2)CC1 1852055946 HSFRNHANNLASQT-UHFFFAOYSA-N 428.514 1.852 30 10 IDEE Cn1c(=O)c2c(ncn2CC(=O)NC2=CC(=O)C[C@@H](c3ccc(Cl)cc3)C2)n(C)c1=O 1852588884 VBWUPYKXCBOKJP-ZDUSSCGKSA-N 441.875 1.234 30 10 IDEE CCS(=O)(=O)c1cccc(CN(CCN2CCCC2)C(=O)c2cnc(C#N)nc2)c1 1853568768 RNBVMSJMFNBWGP-UHFFFAOYSA-N 427.530 1.880 30 10 IDEE C[C@@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853953444 ZSZVFQZRAZHDJD-CQSZACIVSA-N 431.445 1.524 30 10 IDEE C=C1CCCN([C@H]2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)C2=O)CC1 1854724480 GMWIXZHGBUKBCJ-QAPCUYQASA-N 428.558 1.939 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1=O 1856804350 VVJQZUHSJQCUHS-OCCSQVGLSA-N 444.893 1.231 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O 1861518447 ZXJAATFWAUZVTB-UWJYYQICSA-N 447.491 1.982 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862743087 KUYAWQXKHJCIOI-QGZVFWFLSA-N 444.396 1.888 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1OC 1866800693 NGSHRHIISSJSES-AWEZNQCLSA-N 445.497 1.883 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN1CC(O)C1 1870742201 URNNLWVHOAAJTB-UHFFFAOYSA-N 427.457 1.015 30 10 IDEE N#Cc1ccnc(OCC2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)c1 1891889611 PLGQXIYAEDSUFO-UHFFFAOYSA-N 449.423 1.775 30 10 IDEE C=C(CS(=O)(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2248583225 VZNOQOHUOMGMKE-KRWDZBQOSA-N 438.355 1.679 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255537298 UVXVYTJCRZYDBP-QWRGUYRKSA-N 445.272 1.820 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255608989 DBTPZONRNKUJPV-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2255699777 SBBBSWGMKXFLBN-OLZOCXBDSA-N 435.334 1.242 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255828053 BPJGMGONSDHYRT-UONOGXRCSA-N 434.346 1.847 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)cc2F)OC1(C)C 2255932690 DHIPXYMHGBOWMS-UHFFFAOYSA-N 448.325 1.801 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098120 WEVBJYAWLJXPOY-ATGSNQNLSA-N 448.329 1.119 30 10 IDEE Cn1nc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267135764 AYJZXMJPWQCZKM-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE CN1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267181777 XDBZGNUYKWETLA-HNNXBMFYSA-N 449.357 1.860 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2267478797 CKSBTSLAZYPCSF-OAHLLOKOSA-N 447.341 1.435 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267871111 LQKRRQUYXYYGAX-GJZGRUSLSA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879012 DRDPIVDFNOLCMP-CQSZACIVSA-N 448.329 1.142 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2315602028 LOKWYGKPNKCQRX-STQMWFEESA-N 432.330 1.314 30 10 IDEE COc1cc(CN(C)C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)ccc1OCc1ccccc1 11265125 QLUGWAHIMHBJGL-UHFFFAOYSA-N 448.479 1.665 30 10 IDEE C=CCN1C(=O)N[C@@H](c2cc(OC)ccc2OC)C2=C1CN(CCN1CCOCC1)C2=O 35166893 PMTJPVDBNUPTQJ-NRFANRHFSA-N 442.516 1.385 30 10 IDEE CNC(=O)C1CCC(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 63329576 FNYXVKDCMUTNMW-UHFFFAOYSA-N 426.477 1.943 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(C)=O)C[C@@H]2C12CCN(S(=O)(=O)c1cccc(C#N)c1)CC2 247936269 LJVLZVZGYWAMPJ-MOPGFXCFSA-N 430.530 1.038 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 430316011 AGWDILDAWMQMRT-GOSISDBHSA-N 427.505 1.332 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCNS(=O)(=O)c3ccc(C)cc3)cc2C1=O 464555763 PVGZOFQURNXOPT-UHFFFAOYSA-N 441.509 1.828 30 10 IDEE Cc1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)cc1S(=O)(=O)NCC#N 486437701 SWDHXCBMQUXWHY-NSHDSACASA-N 438.307 1.840 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sccc2OC)c1=O 532194311 YVMGTTZBCUHXCB-UHFFFAOYSA-N 446.550 1.805 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 535136256 AIIKEGXXIVQPGJ-MRXNPFEDSA-N 431.464 1.172 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544078764 SPHVQGPEBIPTDV-UHFFFAOYSA-N 439.566 1.618 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 549248326 PLMHUZQGFZNZTK-MRXNPFEDSA-N 433.534 1.771 30 10 IDEE COCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729671816 PMYFSGBHECFRTL-UHFFFAOYSA-N 445.504 1.346 30 10 IDEE COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 747343191 LQLNOIREXBRNNA-UHFFFAOYSA-N 433.424 1.664 30 10 IDEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 749518895 LKZSEUAIXALOSO-HNNXBMFYSA-N 429.498 1.563 30 10 IDEE C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccncc1 749774754 BDTYHNBYJVAVIK-CILNGMPWSA-N 443.529 1.753 30 10 IDEE C[C@@H](c1ncn(C)n1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 780310788 SCLYKDZLUFQLFA-GOEBONIOSA-N 429.550 1.576 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]2C1(C)C 783703188 SGAHBFQBLOEBOH-BXTJHSDWSA-N 430.567 1.802 30 10 IDEE CCOc1ccc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1Br 798837853 DTHUVGSHFCIRDL-SECBINFHSA-N 428.268 1.377 30 10 IDEE C[C@@H]1[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC(=O)N1Cc1ccccc1 799087860 PVVXHXVZEMLHRB-QAPCUYQASA-N 440.525 1.421 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 802244815 UNFPVXMGNAZXAJ-KXBFYZLASA-N 435.546 1.189 30 10 IDEE COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC(=O)NCC#N 807555254 XLNSIMKSHLXRRL-MRXNPFEDSA-N 431.493 1.638 30 10 IDEE C#C[C@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccc(F)cc1 813061997 ZLKWCLAXKOFFTM-ZDUSSCGKSA-N 446.284 1.724 30 10 IDEE C[C@H](F)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 814709193 URYNWPLUGDHLKU-XJKSGUPXSA-N 437.541 1.533 30 10 IDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1132004454 FWXQDMVEQXDQQV-OAHLLOKOSA-N 433.461 1.880 30 10 IDEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)Nc1nc2n(c1C#N)CCOC2 1135006468 UDLQQMISPRDZGY-RDJZCZTQSA-N 425.489 1.766 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2O)c1 1140273463 WJIVQRFQJFSESC-HUUCEWRRSA-N 429.498 1.977 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1140678733 IADJYRSCBLZYPA-CABCVRRESA-N 445.463 1.634 30 10 IDEE COC(=O)c1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 1150967895 HJXXCRZIAVAPQX-CYBMUJFWSA-N 445.497 1.615 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1286369342 MKPKFWBVUWTBIZ-UHFFFAOYSA-N 435.532 1.907 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1286377000 QJDXIIFJLKPQAO-CZUORRHYSA-N 436.538 1.089 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1286389350 ILAFJKCNQCXKTQ-INIZCTEOSA-N 430.534 1.179 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286392625 IUKTZDWCESMOJD-QYZOEREBSA-N 435.594 1.631 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1286403925 NYLBBTYHERUXAN-INIZCTEOSA-N 440.891 1.668 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286478918 DKMNAJZBQWOOCT-GOSISDBHSA-N 444.580 1.937 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286600971 GFNMWBJYJYGBSN-SFHVURJKSA-N 433.553 1.881 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccco2)C1 1286800406 KOJHVAUVNZTGDQ-SPYBWZPUSA-N 439.538 1.170 30 10 IDEE CC(C)Cc1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1287477594 YFEPIQQZQXXKOM-MRCUWXFGSA-N 429.569 1.781 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCc2nccn2C1 1288819536 VNXYQCQSYQTAHP-DOTOQJQBSA-N 446.581 1.477 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1295083431 FUDZDYRYICXMTO-KRWDZBQOSA-N 439.520 1.169 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1295877202 JVRQEBNYMWXENS-FQEVSTJZSA-N 433.534 1.493 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1296240643 JRSIEEUXZMGGDI-AEFFLSMTSA-N 429.569 1.511 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(Br)[nH]2)CC1 1297520535 ZJKIEOKQHGPONZ-UHFFFAOYSA-N 432.116 1.047 30 10 IDEE CN(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1298092430 GIEPGMCKZZZUGS-NRFANRHFSA-N 445.593 1.978 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1298128925 ZTZYLRRVIAFDEE-PXNSSMCTSA-N 431.518 1.246 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300499458 SCHHGHRYHPGCRP-NFBKMPQASA-N 442.585 1.965 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N2CCOCC2)CCSC1 1300641250 DIDCCZWHCYFCTL-CNNODRBYSA-N 449.621 1.670 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)cc(OC)c2)CC1 1300700496 RGMJKXPRGOBTGJ-QGZVFWFLSA-N 447.536 1.131 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2)CC1 1300700997 ZPDFCYZAMWZSCJ-GOSISDBHSA-N 431.537 1.317 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1301017418 JCFDPGHDEXCAJA-CYBMUJFWSA-N 433.962 1.763 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1301483202 KEMHTIGIYJKSEU-HUUCEWRRSA-N 445.520 1.887 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1 1301491954 SOESKTKUZOEQJL-UHFFFAOYSA-N 432.912 1.196 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)C1CCCC1 1303835807 FFFUGKHVSWUYOF-KSSFIOAISA-N 427.550 1.205 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)CC1 1307168184 CJQZMEIVFSELAD-UHFFFAOYSA-N 445.480 1.656 30 10 IDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)CC1 1309493600 GEPWWANKEYARMQ-UHFFFAOYSA-N 443.547 1.451 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1316250878 FZIUYVWUFQCWFU-GOSISDBHSA-N 426.521 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1358889745 FYXAUVVRSAQOTB-MAUKXSAKSA-N 429.546 1.870 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C 1358941664 SCKRFQNCJSRVOV-UHFFFAOYSA-N 427.534 1.355 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358958526 QGURHKHBMALSNK-CABCVRRESA-N 440.472 1.897 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964801 HOUPEFPWVVERKB-SFHVURJKSA-N 431.562 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCCCS(C)(=O)=O)CC1 1359044787 OQRLEPHOHWIIMX-UHFFFAOYSA-N 435.594 1.726 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359102066 VVTUWJHFNOBPTG-UWJYYQICSA-N 443.552 1.879 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359297454 QWAAGUFQTZEHPP-SFHVURJKSA-N 437.552 1.711 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359302873 WIBPVOIQQJBZJV-UHFFFAOYSA-N 440.552 1.196 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1CCOC1 1360237605 KALHGKYPMKSEGK-QGZVFWFLSA-N 438.536 1.436 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1 1435645124 CLVFBSLODVCJIY-UHFFFAOYSA-N 433.530 1.925 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1440640846 SNCWBESPSDYPKK-IRXDYDNUSA-N 442.582 1.295 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)c1 1441736950 MEGTYVDBSDYHNB-JBBCBPGOSA-N 446.533 1.819 30 10 IDEE C=CC[C@@]1(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1454606684 BNYXXGJQXWXDMI-QFIPXVFZSA-N 436.553 1.529 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc3c(s2)COCC3)s1 1456435000 WLLLXHKKWZSUAS-UHFFFAOYSA-N 427.573 1.643 30 10 IDEE CSc1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)N(C)C)cc1 1457832258 GLPAYYZSHXQSPX-LJQANCHMSA-N 432.571 1.978 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@@H]32)n(Cc2ccco2)c1C 1460674222 KCSPGDDWDQOCPC-UYAOXDASSA-N 425.489 1.536 30 10 IDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCOCC1 1460785110 DASFXQOTYQAFGF-MRXNPFEDSA-N 443.548 1.241 30 10 IDEE COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1466083024 RIGZPFJGYXVKAO-YJBOKZPZSA-N 434.924 1.858 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H](Cn3ccccc3=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1469961866 QOVFOOGMDDWGST-BBTUJRGHSA-N 426.498 1.169 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1S(=O)(=O)NCC#N 1469972397 RKMJDEURPOTTQP-FQEVSTJZSA-N 442.541 1.294 30 10 IDEE CC(C)C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(=O)N1CCOCC1 1470613011 JSVWVEICHWAWJH-IBGZPJMESA-N 431.512 1.802 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC2(CCOCC2)CO1 1471227794 SWVIUKCFYZUDAI-KRWDZBQOSA-N 449.573 1.987 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1471335366 DDUCTZUVXSWADM-SFHVURJKSA-N 434.562 1.199 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1 1473348276 XLMIAPKHWBTGQI-NRFANRHFSA-N 446.598 1.429 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](COc2ccccc2)c2ccccc2)CC1 1477815623 OZNRNECVBHSXKG-OAQYLSRUSA-N 442.541 1.602 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)CCOC 1503109193 OZFXYKFUEBXBPP-OAQYLSRUSA-N 429.525 1.195 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1507545002 GVBAPQBPWNHJKJ-SJORKVTESA-N 429.496 1.949 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1507546375 JGLHPRMBHPZBKF-GJZGRUSLSA-N 440.570 1.357 30 10 IDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507571597 HEAWQGJOBHQXRP-HLAWJBBLSA-N 428.581 1.922 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507622933 MXZJPCYXZOYXBK-QAPCUYQASA-N 444.561 1.957 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1507661194 OXVBHSFDYWYESJ-QFIPXVFZSA-N 425.537 1.543 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1507692199 UNIVVTYKANSQPB-SFHVURJKSA-N 431.518 1.286 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1507707064 RIYURDCMRGAVBS-OAHLLOKOSA-N 433.490 1.374 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOc2ccc(F)cc2)CC1 1507723393 GUILIUWWLUXECV-HXUWFJFHSA-N 440.523 1.983 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1508162737 RYICSOPMNJRSPI-XHSDSOJGSA-N 445.611 1.144 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508167178 JBWRXUPBYNOGFE-QGZVFWFLSA-N 448.593 1.147 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1508167769 PNNOMBDVOWRBQZ-AWEZNQCLSA-N 434.591 1.904 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1519517384 MRHFTKXJLNPDTM-QZTJIDSGSA-N 431.518 1.451 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1(N2CCOCC2)CCOCC1 1524873606 RALAJCSTNXHELM-GOSISDBHSA-N 438.569 1.961 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539155449 VOFBREXGYYLNGF-JOCHJYFZSA-N 446.573 1.981 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539212724 XIHCUDMHECJUPN-SFHVURJKSA-N 430.578 1.396 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539223043 YVFDJISUCOZRJR-RBUKOAKNSA-N 444.557 1.878 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1539526504 PKNZDZQRAAWZKD-GOSISDBHSA-N 443.577 1.561 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1539566070 DJDFUVDPMDMDST-JRWGXLCNSA-N 448.531 1.658 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cc[nH]n1 1539659096 JBELAWVVXARWFF-UHFFFAOYSA-N 447.507 1.476 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CC2)CC1 1539874181 KCBIYSRJOPZACG-MRXNPFEDSA-N 438.598 1.156 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC(O)CC1)C1CC1 1540094382 LFROGXSZSHBKTG-UHFFFAOYSA-N 425.537 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](C(N)=O)C1 1540898808 VOQNJAJBABTONF-ROUUACIJSA-N 431.562 1.732 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1541106538 XXQAWAVDNBZSTD-KKSFZXQISA-N 434.541 1.197 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1541926992 CBZQGFAVWNPTHU-JOQQVMPUSA-N 440.545 1.535 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)ccc1F 1544213020 GQQRFNFDYLXPNS-CQSZACIVSA-N 438.502 1.591 30 10 IDEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(=O)NC)C2)n1 1548367756 LLACFXRBHXWIMD-QGZVFWFLSA-N 434.422 1.870 30 10 IDEE CS(=O)(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CCC(C#N)CC1 1555818418 YURXKBHBGRJFNB-UHFFFAOYSA-N 432.550 1.579 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555990306 MVQPGXUNFZXJFE-QZQOTICOSA-N 432.488 1.530 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)C1 1556132751 SQWKUWQOTUMHHV-WCQYABFASA-N 443.426 1.850 30 10 IDEE N#Cc1cccc(C2(NCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCOCC2)c1 1560008814 QXQNHAFKDHOYSL-UHFFFAOYSA-N 442.541 1.160 30 10 IDEE CN(CCS(=O)(=O)NCCc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 1561745091 IFMHDCUHJKRFLQ-UHFFFAOYSA-N 425.507 1.480 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1583662382 ZNFKCDMBSHEKTC-OLZOCXBDSA-N 427.452 1.902 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1587909492 MCXDEOLNJSHXNY-JTQLQIEISA-N 432.369 1.830 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1588099582 RJOHQACSCZFDBT-KRWDZBQOSA-N 442.541 1.860 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OC 1588126797 BKWFMKLRKCYZEJ-KRWDZBQOSA-N 430.473 1.990 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2ncc(C)s2)CC1 1588723671 ONMSZCWTJIZTHV-MRXNPFEDSA-N 427.578 1.838 30 10 IDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1594743853 BLGCEODSZUUZBU-UHFFFAOYSA-N 425.537 1.804 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NCC)CC1 1595555503 APLRJATUJIHXMJ-UHFFFAOYSA-N 447.490 1.301 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1595738661 SGMLYQORBURIEE-AEFFLSMTSA-N 442.495 1.778 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595821450 BSVBSASUMNIBCY-CRAIPNDOSA-N 436.582 1.602 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1611796632 VCCQCQUUNRNOIW-QFPXGYFVSA-N 444.536 1.702 30 10 IDEE CC[C@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1613412922 FIQFHPTZVBFKHW-ULQDDVLXSA-N 441.602 1.080 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1617028225 FCKPTSDJGBXGIX-GOSISDBHSA-N 444.561 1.715 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1620054655 MUVLXECMKMJGPC-RTBURBONSA-N 438.532 1.973 30 10 IDEE COCCOCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620074266 LSNYJYGKORXXNT-LJQANCHMSA-N 441.536 1.776 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C#N)C1 1620175575 SWOXDPHYYUZMOW-INIZCTEOSA-N 441.517 1.161 30 10 IDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1622810544 OOSVDHUYZXDAIB-FQEVSTJZSA-N 436.516 1.264 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCC(=O)NCCNC(C)=O)c2)c1 1624873950 YQNBKRZWSRPGBT-UHFFFAOYSA-N 435.480 1.844 30 10 IDEE C#CCN(C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1625359129 BDKZRQAYFYUZMT-INIZCTEOSA-N 427.592 1.359 30 10 IDEE C#CC[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1628849179 BCKXSWZLPBPMHN-KRWDZBQOSA-N 430.482 1.763 30 10 IDEE COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)CC1=O 1629137066 VGJLINUGZVOBGE-QGZVFWFLSA-N 437.338 1.159 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)C2)C1 1632963427 KWAJCIPFFVXYCT-RCBZWGHKSA-N 437.562 1.951 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)c1 1637579940 GJCXDJYLZWARHE-UHFFFAOYSA-N 440.403 1.424 30 10 IDEE CSC[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1639989119 KEZWWHYSSSWDDJ-UMVBOHGHSA-N 432.571 1.993 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2=C(CCC(=O)N2)C1 1641337503 RAMRLNMPPAGVHF-KRWDZBQOSA-N 430.530 1.536 30 10 IDEE CC1(C(=O)NC2CCN(S(N)(=O)=O)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 1642515121 NCNFLHZVHXEOFX-UHFFFAOYSA-N 439.969 1.602 30 10 IDEE C#CCN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454916 RHTHGUSLCODAGD-UHFFFAOYSA-N 441.532 1.493 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1646091161 SUHVFWPCVDQNQB-KRWDZBQOSA-N 444.532 1.816 30 10 IDEE COC(=O)c1ccc(N2CCC(n3nncc3I)CC2)c(C#N)n1 1652046831 WBVXQVBCXAPWOR-UHFFFAOYSA-N 438.229 1.777 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1653901124 BMECAIZHQYUQMG-KRWDZBQOSA-N 442.520 1.591 30 10 IDEE O=C1C=COC2(CCN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)C1 1660399575 UBXSUZYOCSKGCD-UHFFFAOYSA-N 427.501 1.113 30 10 IDEE Cn1cc([C@@H]2CN(C(=O)NCc3ccc(C#N)cn3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1682909930 FDKORZYQLNPKSD-ZWKOTPCHSA-N 425.493 1.889 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1689926323 NIUDNOKQOSCZPG-MRXNPFEDSA-N 433.516 1.755 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1689928236 KAIQJLOREOWADP-FBBABVLZSA-N 438.580 1.895 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1689980831 XZGXMVLWBXDTFT-SFHVURJKSA-N 449.621 1.995 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690128788 JUZPHDSFIBIEPH-UHFFFAOYSA-N 442.589 1.377 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccco2)CC1 1690148464 IDSJXXYVNDOLOZ-DEOSSOPVSA-N 448.527 1.730 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1690205894 ATCYEXXSNDOFEK-FOIQADDNSA-N 437.566 1.697 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690299433 RBSXONWFJLAQHO-GCJKJVERSA-N 433.553 1.881 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCS1 1692538737 GPVQESPQHBTOHQ-QGZVFWFLSA-N 440.577 1.905 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1692741209 FCYWVHREZXDMBW-LPHOPBHVSA-N 447.561 1.882 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693791063 KSRYOXMTSGTRHE-BQOWYSNXSA-N 443.895 1.745 30 10 IDEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1696664074 DLIKGUCTTUHFHI-UHFFFAOYSA-N 449.563 1.788 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1696808473 OQUKCDGPKFCDNU-UHFFFAOYSA-N 446.533 1.530 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCS(C)(=O)=O 1698232931 NZCPQILMUJKGTG-OALUTQOASA-N 447.561 1.945 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1705566360 MZODFTFLNDJRKY-DBVUQKKJSA-N 444.557 1.510 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1705612512 IFAAXDGNGLCOES-LJQANCHMSA-N 447.561 1.265 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)nc2)n1 1705631553 IPBDKEPSIRJEFF-HXUWFJFHSA-N 448.531 1.464 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705632151 JBSICQKHZZMJQZ-NHCUHLMSSA-N 441.624 1.637 30 10 IDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705689004 BKKNVQTWVRAOLV-ZDUSSCGKSA-N 438.355 1.756 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705725909 XILQVRKFDXJWIT-BBWFWOEESA-N 446.552 1.877 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705885847 UZRIAQUDKRZIIH-NSHDSACASA-N 437.551 1.811 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705894994 QILSOMNSEUMMTA-CYBMUJFWSA-N 432.554 1.800 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(S(C)(=O)=O)cc2)CCOC1 1710422963 COCHLEHJKADZAI-IERDGZPVSA-N 447.561 1.978 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1712611908 RQWUGMZLQPHQFK-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722335193 CHRDWDNFFMIJIU-AWEZNQCLSA-N 426.502 1.631 30 10 IDEE C#CCCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722340720 GPFKUDFSIAXNGV-FGZHOGPDSA-N 428.537 1.829 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722366772 SLRCRPRIJKNIJI-ICSRJNTNSA-N 446.573 1.986 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1722402772 QFQLBRCZFSBJBJ-KRWDZBQOSA-N 446.577 1.233 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCC1 1722428702 JCEFENWDNMBATG-UHFFFAOYSA-N 439.564 1.843 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCCN(CC)S(C)(=O)=O 1722472780 SXFHXWSHFMMHPT-OAQYLSRUSA-N 430.578 1.928 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722702942 ROVVDOWVXUDIGX-MUCNXURCSA-N 447.580 1.883 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722706641 WIJHCLAESGENNG-UHFFFAOYSA-N 432.569 1.736 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722706978 CJYOBVMSVDBLTI-UZUQRXQVSA-N 438.532 1.805 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1729566860 LMYVVYCLPSULKI-RDTXWAMCSA-N 435.326 1.936 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740580970 MCSSGUFKGUNKIQ-CVEARBPZSA-N 425.555 1.076 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740598435 QEECUTUFNMVCNM-GOSISDBHSA-N 439.582 1.420 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1740875997 MYGKQVQWXWBKHZ-SFHVURJKSA-N 425.599 1.693 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(N)(=O)=O)cc1 1740907517 WFJPPWFSGFDSGP-WMZOPIPTSA-N 435.550 1.514 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740946530 XQCPPENWUBFYFF-MRXNPFEDSA-N 434.497 1.065 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1C 1740994491 PHZKHQIJQBERMD-UHFFFAOYSA-N 431.562 1.946 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(Cn2cccn2)c1 1741678534 GAVYJUQWABVVRY-LJQANCHMSA-N 434.504 1.438 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1741930529 GYZKYTBNHHMJLZ-RZQQEMMASA-N 446.581 1.477 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1748667698 YKGSITYILLMSDQ-SNRMKQJTSA-N 436.516 1.853 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1748700168 YUJWISIFHUPLRX-FRQCXROJSA-N 425.555 1.076 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748715675 RJJPIRDKQSNYCT-FQEVSTJZSA-N 428.581 1.720 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748820699 HMJXJBKNFOQXPR-UXHICEINSA-N 433.622 1.978 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1748929896 RUQPAFBQSIKGPY-QGZVFWFLSA-N 437.541 1.709 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749043390 GPULZTSJIOLSCB-KRWDZBQOSA-N 431.566 1.783 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749428044 XNNFNUPRAIFJEM-RTBURBONSA-N 448.593 1.865 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749457843 RKEIIQYSKHWVOW-KRWDZBQOSA-N 441.536 1.195 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749743977 CFVLXWLNYHZBQV-PMPSAXMXSA-N 428.628 1.480 30 10 IDEE COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1749837218 AHLHWRJSOHUPKU-QFBILLFUSA-N 446.577 1.865 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCc2n[nH]c(C)n2)c1 1760129196 ZQJRAYCYWIWUIE-GOSISDBHSA-N 448.531 1.898 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760189127 NVYXJSFXKQCFNL-SFHVURJKSA-N 433.578 1.573 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCS(C)(=O)=O 1760292106 PJTKOHILNIXVSD-HXUWFJFHSA-N 440.533 1.348 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1760295982 XFNYLVQJZUDKGK-DYESRHJHSA-N 429.546 1.731 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](C3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760528479 DJGBODSLFJNQSP-PGRDOPGGSA-N 433.553 1.485 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1765235996 DMMUQVQOQNWCJO-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1766441789 LHVSAXPOMPAXBZ-IBGZPJMESA-N 446.577 1.408 30 10 IDEE CC[S@@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766752054 RTFGJELZTKBGED-WTPASJBYSA-N 443.577 1.534 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1772842613 YZSWXGDJSWLRBA-JKSUJKDBSA-N 429.525 1.448 30 10 IDEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1849448738 DLLMAHVJQJDNBJ-GFCCVEGCSA-N 431.440 1.341 30 10 IDEE Cn1ccnc(N2CCC[C@@H](N(Cc3ccc(-n4ccnc4)cc3)C(=O)CC#N)C2)c1=O 1853467940 AAWPMCDXEUDDBP-HXUWFJFHSA-N 431.500 1.877 30 10 IDEE COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855734914 ZQYVLGSQPBNELV-HNNXBMFYSA-N 427.482 1.558 30 10 IDEE N#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 1858311796 DUXOCPNSKXMHDN-SFHVURJKSA-N 430.464 1.965 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc2c(c1)OCCO2 1874435267 VYMYDHUPIOWXET-LSFURLLWSA-N 447.517 1.859 30 10 IDEE CCn1nc(Br)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1881513717 SDNYMGCLGYJASW-NWDGAFQWSA-N 428.335 1.505 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CCCn3ccccc3=O)CC2)CC1 1890088910 PDJCZBYCOGWZNI-UHFFFAOYSA-N 442.604 1.666 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 1993943994 GCAINZDXQQZGLZ-UHFFFAOYSA-N 425.526 1.640 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060624275 WRKBTRNKPSRMGT-ZIAGYGMSSA-N 436.293 1.919 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](O)C1 2124540465 ICBLNAHBSJHTOH-DZGCQCFKSA-N 448.329 1.332 30 10 IDEE CCS(=O)(=O)NC1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172775226 YYKYLUHMVZCWMP-UHFFFAOYSA-N 446.176 1.271 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)c(Br)c2)OC1(C)C 2172780242 NPASFZJZCILWFT-SMDDNHRTSA-N 443.172 1.767 30 10 IDEE Cc1sc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247824828 VWGPBNKDSNHDKS-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247882970 XRBKPVCGXWZPIO-UHFFFAOYSA-N 441.359 1.526 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248403303 FUEYBJADMDYXID-WFASDCNBSA-N 440.371 1.938 30 10 IDEE Cn1ncc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2255544559 BGDLGCFPPWQRIT-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255624389 XQHCLNSFGKAMDO-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2255679637 HZTXESKEOMHYCG-QWHCGFSZSA-N 435.334 1.290 30 10 IDEE C[C@H]1[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255700226 ZSUZLDGFPISQTE-DZGCQCFKSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255707861 BUBCBDJZOGKMDD-CQSZACIVSA-N 436.314 1.945 30 10 IDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 2256677591 YMVCYOBFBUPSQE-UHFFFAOYSA-N 437.346 1.830 30 10 IDEE Cc1nc(NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256679410 LBOWGBNLFNYWAZ-CQSZACIVSA-N 436.318 1.298 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256917498 WNBGWYPCVHZTHJ-CJNGLKHVSA-N 429.282 1.497 30 10 IDEE CC1(C)OB(C2CC(C(=O)N3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)C2)OC1(C)C 2267089956 IYSPKKZBJGGNHW-PYNQCMFNSA-N 447.263 1.240 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2267537790 RVNAMHCTAVEYEP-MCIONIFRSA-N 447.345 1.242 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267547876 OHWSDMLJNSBSIO-ZIAGYGMSSA-N 449.361 1.538 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@@H]21 2267879169 FZILOXHAEACUES-GJZGRUSLSA-N 444.341 2.000 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268654977 GNHRJKBXUNUACK-CAJLXGCNSA-N 447.341 1.985 30 10 IDEE C=CCO[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270506509 SLYRCFHNSWVVLT-DLBZAZTESA-N 426.491 1.363 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2271680244 QQTVRMYMJAKSKD-UHFFFAOYSA-N 447.341 1.435 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N(CCN)CC(F)F)cc2Cl)OC1(C)C 2282831303 IFGXLRIBSSECKI-UHFFFAOYSA-N 430.735 1.915 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(C)c1ccc(C#N)cc1)NC(=O)OCc1ccccc1 2286040990 MCGQYQMLDQLMCV-GOSISDBHSA-N 431.470 1.792 30 10 IDEE CC#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O)C(=O)OC(C)(C)C 2300577192 DSGMEQISCPJKLZ-HNNXBMFYSA-N 439.509 1.779 30 10 IDEE COc1[nH]c(=N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317504033 UWLFSSZTSKECBL-LSDHHAIUSA-N 435.330 1.515 30 10 IDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320556779 ZVYABSLZYVRESN-ZIAGYGMSSA-N 438.309 1.738 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 65105721 KKYDDIXCSZAITN-UHFFFAOYSA-N 432.322 1.899 30 10 IDEE C=CCNC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2OC(F)F)c(=O)n1CCCOC 105754171 HKPGCUNFABGUBF-QTDJHMCFSA-N 449.479 1.353 30 10 IDEE C=CCn1c(=NC(=O)[C@H]2COc3ccccc3O2)sc2cc(S(N)(=O)=O)ccc21 254293753 ZYMPLSXHCNIOIX-MRXNPFEDSA-N 431.495 1.804 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 427367409 SIHQHUSOBPEVCO-LJQANCHMSA-N 443.463 1.266 30 10 IDEE COc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)ccc1C#N 432202981 RTPYAMHOVOWISA-UHFFFAOYSA-N 437.543 1.980 30 10 IDEE COc1ccccc1N1CC[C@H](N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 464865164 WLFBAMAVNOOBQM-IBGZPJMESA-N 440.525 1.679 30 10 IDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 466078065 AOAPKTONKADWDO-HNNXBMFYSA-N 444.561 1.556 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 490884247 NGLRXXBOMHGIHH-QGZVFWFLSA-N 437.903 1.214 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](c4ncc5n4CCCC5)C3)CC2)o1 503416183 PQRQFEGFDJJUNP-GOSISDBHSA-N 437.548 1.916 30 10 IDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@H]1CCS(=O)(=O)C1 533294353 VGYNPYQXWSLSFE-IAGOWNOFSA-N 448.589 1.723 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](C(=O)N3CCCC3)C2)CC1 537250190 YSIHNGSJWBYBCE-OALUTQOASA-N 429.590 1.791 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCO2)CC1 549910748 LDFZJLKZPUIGTN-MSOLQXFVSA-N 425.493 1.138 30 10 IDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 580099310 ZLYLOEVQWTWYBA-OAQYLSRUSA-N 443.577 1.839 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CN2CCCN1CC2 588830351 XZRJXOWUXFMIFA-HNNXBMFYSA-N 437.338 1.604 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 619426700 VQMMGSZQSFEYGN-UHFFFAOYSA-N 429.521 1.923 30 10 IDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670233986 GBJVRTJVKPYBNQ-INIZCTEOSA-N 448.487 1.643 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)c(Cl)c1 727416003 CDFSEKZFCCBGGI-UHFFFAOYSA-N 447.875 1.550 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)cn1 732796249 AYJQVMVZEDTDCY-UHFFFAOYSA-N 439.585 1.826 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)CC1 734275186 JCJIRSUPSNHXGD-KRWDZBQOSA-N 447.555 1.477 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 744779592 UGBBARQNDGLZMA-CHWSQXEVSA-N 429.520 1.235 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccccc2OCC#N)CC3)CC1 754521853 XMOLNZGDHWHDEJ-KRWDZBQOSA-N 436.516 1.165 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 755626848 FCKJPWWMBFQUQY-MRXNPFEDSA-N 445.566 1.736 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(c2cccc(C#N)n2)CC1 760780118 ZYDFZWUBXMZNTR-IBGZPJMESA-N 444.536 1.267 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(Cl)c1Br 792227985 GBYLDVAXNCRKDB-YPKPFQOOSA-N 441.669 1.684 30 10 IDEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 798362904 NLJHHTRUHUEWRY-QZTJIDSGSA-N 443.573 1.443 30 10 IDEE CCOC(=O)C1=C(COC(=O)c2cc(C#N)ccn2)NC(=O)N[C@@H]1c1ccc(OC)cc1 803849677 PDSDBPWGUYAZRI-LJQANCHMSA-N 436.424 1.990 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)cc1 808437508 HFYOXXPKWGFOEN-CQSZACIVSA-N 440.481 1.604 30 10 IDEE CC(=NNc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccccn1 1084042225 TVXUUWWMKMYGMO-UHFFFAOYSA-N 436.457 1.650 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](c4cc(O)n[nH]4)C3)CC2)cc1 1144503392 VZTUSUPUTQZVAH-MRXNPFEDSA-N 429.502 1.404 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)nc1 1167477766 RBMQDUSRVJLFJX-UHFFFAOYSA-N 440.525 1.994 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(=O)NCC23COC3)n(Cc2ccc(F)cc2)c1C 1175724766 OEYCLAQGRAMDCC-UHFFFAOYSA-N 439.491 1.693 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(C(=O)OC)CC(CO)C1 1180896380 JNIQHIQXPGHPRD-UHFFFAOYSA-N 441.278 1.529 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cc1C(F)(F)F 1194006708 BEIHMRUVCMJEOU-UHFFFAOYSA-N 445.444 1.971 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)C1 1226357906 DCVMJRCTXAYLAG-NRFANRHFSA-N 447.624 1.661 30 10 IDEE C#CCN(C)CCCNC(=O)NCC(=O)Nc1ccc(I)cc1 1248660424 CNUHKBDXJZECIP-UHFFFAOYSA-N 428.274 1.484 30 10 IDEE Cn1nc2c(c1C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CS(=O)(=O)CC2 1269324708 XFDCFCHZOHBFMT-UHFFFAOYSA-N 441.513 1.726 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286290098 OFIRBNAYUQTELA-CABCVRRESA-N 431.518 1.413 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1286323295 JOJOZWIFDRGGKZ-GOSISDBHSA-N 443.577 1.409 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286395544 RTPFFDRFVBHAPP-NVXWUHKLSA-N 435.575 1.416 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)C2CC2)CC1 1286484474 OVJIGEXYAXGGTD-UHFFFAOYSA-N 426.496 1.278 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1286516254 FGPMLXWLNNBRRN-QVKFZJNVSA-N 447.561 1.946 30 10 IDEE C=CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1 1286690626 MPFYHMYEKZQGGG-UHFFFAOYSA-N 437.592 1.935 30 10 IDEE C=CCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286775244 WVTVTDZEEUBOKP-OWCLPIDISA-N 437.566 1.543 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1286810859 WROCLJVBHOUUSH-UYAOXDASSA-N 441.532 1.866 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccn(C)n2)C1 1286812208 KLZWMBJDSDFTKP-INIZCTEOSA-N 427.534 1.833 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC(F)F)CCOC1 1296651315 OMBKIGYMNLJNIT-OXQOHEQNSA-N 440.495 1.736 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 1297803115 UQFPCJZLWKCDQM-UHFFFAOYSA-N 425.532 1.380 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300481894 CIQSGCOSVOSDOR-KNKQGSTJSA-N 448.589 1.913 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(S(C)(=O)=O)cc1 1301272117 BTGRRQDKMJIRGN-CQSZACIVSA-N 441.579 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301589625 UYWRVANNQPSJSP-IKGGRYGDSA-N 428.555 1.361 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1301968319 LDNRLYQDXUODPP-YJBOKZPZSA-N 429.546 1.897 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)N2CCO[C@](C)(C#N)C2)C(F)(F)F)CC1 1312583674 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C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)cc1 1633861905 NYRTUDLUWDFGKA-HUUCEWRRSA-N 434.436 1.965 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1636035613 CEHOHAFTGVJOQF-ZWKOTPCHSA-N 442.520 1.637 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 1636512654 NYGSBAKLJCNMNQ-YJBOKZPZSA-N 448.545 1.530 30 10 IDEE C=CC[C@@H]1CCN1C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1636893628 JQQCFLLUELXAFD-HIFRSBDPSA-N 433.452 1.795 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CC[C@@H](O)c3ccccc3)CC2)cc1 1644910892 XURNRJCDXBRKKX-RBBKRZOGSA-N 429.542 1.739 30 10 IDEE C[C@](O)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(F)c(Br)c1 1645998005 XLFINKUZFJUIIS-IUIKQTSFSA-N 431.283 1.192 30 10 IDEE C#CCN(C(=O)c1cnc2c(c1)c(O)nc(=O)n2C)C1CCN(C(=O)OC(C)(C)C)CC1 1649383390 RFDLDXVSUMGASW-UHFFFAOYSA-N 441.488 1.509 30 10 IDEE C=CCN1CC[C@@H](N(C)C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1=O 1653435004 DLYUMMXROGCSLR-QZTJIDSGSA-N 425.451 1.886 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1689988591 RZYWIUKFGHNYCC-AWEZNQCLSA-N 427.477 1.572 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1689993816 MBQFNIJLJQHHMS-LBPRGKRZSA-N 437.310 1.845 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1689998178 DSSAGUJHFKIMGZ-UHFFFAOYSA-N 426.521 1.454 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1690077581 RSXVTXDLTBZPML-KRWDZBQOSA-N 447.536 1.138 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1690132001 CQFBFZGPAMXRQU-WMZHIEFXSA-N 425.533 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)O)CC1 1690150795 VOOROOROSXYZAO-UHFFFAOYSA-N 435.532 1.253 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(C)CCO[C@H]2C2CC2)CC1 1690152754 WTXVKPKVXJCPEN-NZQKXSOJSA-N 429.565 1.986 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1690174859 KSCMCOZWRYAEKL-SJORKVTESA-N 441.623 1.604 30 10 IDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1690300765 JTRHMTDYLNRUML-UHFFFAOYSA-N 446.939 1.781 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690311874 WHMXLQOGZQSZEU-SFHVURJKSA-N 432.569 1.165 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1690485134 MFWMQSIHDOQBAR-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1690622092 HLVJFEVVKKIIJQ-KRWDZBQOSA-N 448.549 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690724725 VJXFLEVZNVFBOJ-GOSISDBHSA-N 437.610 1.695 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690733463 FRCAKIJZHYOZNJ-HXUWFJFHSA-N 427.534 1.704 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCCS1(=O)=O 1698150533 ODPZILLVAOHLCE-APWZRJJASA-N 440.570 1.168 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1698171173 OWQRBIPMGBZMNP-PBHICJAKSA-N 432.456 1.509 30 10 IDEE CS[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1698344229 CIDSORCEFFEECZ-INIZCTEOSA-N 440.577 1.745 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1705517462 WHQUOCYDZYPHGZ-QZTJIDSGSA-N 439.582 1.420 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705532684 QBCROHZNXFCADT-LJQANCHMSA-N 428.581 1.766 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1705561604 UYWWOCKVDHPHMQ-XWTMOSNGSA-N 442.557 1.767 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566951 SATUWYQAEVFRTB-QUCCMNQESA-N 442.589 1.615 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705626724 GYIPWZLDKGUUPW-MRXNPFEDSA-N 439.442 1.084 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CCCCC2)CC1 1705639084 FRUHHYZABXZYGY-XMSQKQJNSA-N 449.621 1.267 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1705829314 NEFIVLSVWSTSCD-QGZVFWFLSA-N 426.525 1.693 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2)C1 1705926140 YTHZPAKVQHMKBO-SFGWALBWSA-N 446.573 1.869 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1711317643 DGVKICBNNJWGSX-SFTDATJTSA-N 426.546 1.647 30 10 IDEE COC[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712268602 RGDCOYSXNLGAJK-SJTPKYKMSA-N 430.509 1.171 30 10 IDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1712843627 UUMHHZBAKOZDOQ-CABCVRRESA-N 433.513 1.156 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 1722281924 AZYOQQDTSGMCED-GOSISDBHSA-N 438.576 1.879 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1722359993 BWCUUUDJDAXPLW-KRWDZBQOSA-N 444.561 1.447 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1722418903 HMMWVBFBXOLFNQ-HNNXBMFYSA-N 430.475 1.387 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722453939 DWAHUCGYDXIYBS-INIZCTEOSA-N 448.570 1.706 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)NC)CC1 1722492955 VIZZRWGBNQCAPY-NEWSRXKRSA-N 435.569 1.946 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1722672230 MQDQXGKMMJXTGC-HNNXBMFYSA-N 428.580 1.326 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@H](C)C1 1722697221 JHNLJCQVSXBOCJ-HUUCEWRRSA-N 431.566 1.633 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722698727 LACWSDXEGGIBSX-QGZVFWFLSA-N 429.525 1.011 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1730302339 WUDGVTINJPNFKD-MOPGFXCFSA-N 427.505 1.802 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1740550781 JVDKOUYIBSVNSP-GDBMZVCRSA-N 448.545 1.712 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1740617987 ZXENCXFASHIJBI-LAUBAEHRSA-N 448.545 1.507 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740624041 CZVQTHHZMSOCNZ-KRWDZBQOSA-N 449.602 1.329 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1740672050 VPUZCXRIDNUCRD-SFHVURJKSA-N 430.578 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2CCN(CCC)CC2)CC1 1740708013 ZGFSTBBWJJNZFR-UHFFFAOYSA-N 430.597 1.902 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740765715 BXLXLSKNCHZOSR-BBTUJRGHSA-N 438.594 1.869 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740794456 AUJHSGKTOZOAIO-LSDHHAIUSA-N 431.459 1.880 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1740899305 KQFQIDNTNBFVIS-YLJYHZDGSA-N 441.598 1.565 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740990303 PZFCGVOEWWKHNH-QGZVFWFLSA-N 431.566 1.401 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740991840 GKXGJVYLCNSVJE-MOPGFXCFSA-N 439.626 1.624 30 10 IDEE Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1742600764 HZNNXSVLIHWPES-GFCCVEGCSA-N 432.286 1.434 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)c1 1748157252 MCFAFWGEIKMBIN-APWZRJJASA-N 442.520 1.333 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCOCC1 1748684235 FKCZJQTYOOJQTG-IRXDYDNUSA-N 430.578 1.696 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1 1748725495 DVJJUNGFJGWQIH-DENIHFKCSA-N 427.505 1.606 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2cncn2)nc1)[C@H]1CCS(=O)(=O)C1 1748803398 YFRJOTZLMPRJHU-KRWDZBQOSA-N 440.533 1.052 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1748810393 VLUNPQMKJWETIU-OALUTQOASA-N 444.557 1.686 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1748895019 NVYSRRWOWGGVCX-FCQUAONHSA-N 446.486 1.997 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1748971279 KFOYNFLHEWHYEM-UHFFFAOYSA-N 447.584 1.429 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCSC2)CC1 1748984862 UKILMABAQHVSKA-JOCHJYFZSA-N 443.573 1.586 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(SC)CCN(C)CC2)CC1 1748993624 FXIAOBRGAJFOKV-UHFFFAOYSA-N 439.633 1.847 30 10 IDEE C#CCSCCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749048499 OLBNKTRUMJXHKV-KNQAVFIVSA-N 449.621 1.990 30 10 IDEE COC[C@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749364202 NSHBFAWEIXDVEW-JKSUJKDBSA-N 439.499 1.645 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1749663543 JGEZCNHFWHKTJS-SFHVURJKSA-N 443.458 1.837 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749664566 RTVUWDPKCYYTJG-UHFFFAOYSA-N 431.500 1.804 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CC2)C1 1749718489 WQHXIQWCZORAJJ-KRWDZBQOSA-N 434.566 1.498 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749731411 CVACDLRHTQGKQJ-SFHVURJKSA-N 447.561 1.508 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749736430 ITXNKDFNXPJQAL-IEBWSBKVSA-N 430.578 1.538 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1760191124 AZPUWJAPAJOYCH-OGZRUICASA-N 447.586 1.863 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760216992 KOJMYCVCVDZWCO-UHFFFAOYSA-N 439.520 1.435 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1760243183 XARXHBCDKKKYFV-UHFFFAOYSA-N 436.520 1.644 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1760546417 OBQOHMPBIVCRGV-AUSIDOKSSA-N 427.549 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1760551004 QEBBHLFDMYCIOI-UHFFFAOYSA-N 438.575 1.630 30 10 IDEE CCN(CCCn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1766866917 GQDZXBYPVWTFMZ-IBGZPJMESA-N 432.554 1.537 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)CC1 1767100009 BYVYNDUHYSNAKN-SFHVURJKSA-N 425.585 1.835 30 10 IDEE CCSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1768411592 WIDLIRWDNYBXOH-YOEHRIQHSA-N 446.574 1.196 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1771273122 FQBCHGDBEQJDTL-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C(C)C 1772660171 HTLWFABJLGWRHP-UHFFFAOYSA-N 430.538 1.756 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)ON1C(=O)c2ccccc2C1=O 1772791285 QZQDHZKGNOKRFW-LBPRGKRZSA-N 446.437 1.269 30 10 IDEE N#Cc1ncc(C(=O)N2CCCc3nc(Br)cc(N4CCOCC4)c32)cn1 1850897775 HNNUBEMFLHVFHW-UHFFFAOYSA-N 429.278 1.935 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cnn3ccc(C(F)(F)F)nc23)CC1 1852821569 VCFJWNQADHLCGU-UHFFFAOYSA-N 445.405 1.994 30 10 IDEE CN1CCC(C)(C(=NOCCCF)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1853412955 VYBOOSDGGDEPRD-UHFFFAOYSA-N 426.514 1.881 30 10 IDEE Cc1cc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)ccc1F 1854038573 RLWAYPULCBMELZ-UHFFFAOYSA-N 429.473 1.998 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C(=O)C1 1855296300 XWUQSQZLQAGOES-RTWAWAEBSA-N 426.542 1.809 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCCOc3ccccc3)CC2=O)cc1 1856763488 SZPFOHSWANABFU-UHFFFAOYSA-N 427.482 1.642 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccccc3Cl)C2)CC1=O 1856787969 VOAQUEKWFBIMRQ-GJZGRUSLSA-N 428.894 1.363 30 10 IDEE C=CCNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861588456 GBILYOJKBXWNKQ-QZTJIDSGSA-N 429.517 1.388 30 10 IDEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862177902 GTGWKXMQYQTSJU-INIZCTEOSA-N 427.501 1.922 30 10 IDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cnc(C)cn2)cc1 1870152785 LCALRVJYAZAPTR-UHFFFAOYSA-N 447.503 1.561 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCCN3c3ccccn3)CC2)CC1 1889434171 RQOFNXJIRZJKRE-QHCPKHFHSA-N 439.604 1.699 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 1890195332 BZQWURJBDLZKCL-UHFFFAOYSA-N 432.496 1.996 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NCC(=O)N2CCOCC2)CC1 1892269804 MYUHGJGBIVIKOL-UHFFFAOYSA-N 429.502 1.466 30 10 IDEE CC(C)(C#CC(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1993919987 VNKWZBIWANTDIB-GJZGRUSLSA-N 425.526 1.780 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](C(=O)O)C(C)(C)S 2074742546 SMUOZPWGKJHWPZ-ZDUSSCGKSA-N 428.532 1.390 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085662148 VILXCFAHXXIKCA-ZDUSSCGKSA-N 434.302 1.088 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCOC1 2255628457 ILKIHAHXRPPOOT-HXUWFJFHSA-N 436.318 1.123 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1 2255648771 NVVSKNUDSKFVNC-CQSZACIVSA-N 432.330 1.625 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2255672866 MIBFFDZDNSOGLL-WBVHZDCISA-N 425.342 1.507 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2255694799 UFUXFMWOLVUKIU-YEJXKQKISA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCOC1 2255705086 PWALRWDDIQHATR-OAQYLSRUSA-N 436.314 1.992 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255820957 BXFZFPDYZVKIGJ-HUUCEWRRSA-N 436.314 1.909 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256066481 CKWXWRCCAWHZMM-ZIAGYGMSSA-N 432.330 1.951 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2256922594 FBRGFYNUPPMKCA-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE Cc1c(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267000950 FBBGDAWWUYVFGT-RUYXUALKSA-N 436.365 1.888 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267126728 NHMMMXCRSBXTDN-GASCZTMLSA-N 446.357 1.943 30 10 IDEE Cn1nc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1B1OC(C)(C)C(C)(C)O1 2267128471 RDGVGWFGHYJNSL-SFHVURJKSA-N 435.337 1.569 30 10 IDEE Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267150967 GQYFNRFBJUMUBT-CABCVRRESA-N 447.341 1.399 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@@H]21 2267166260 PPNZDIBFUHQJOA-PMPSAXMXSA-N 444.341 1.904 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267543073 BFMBDSGWHBJLBE-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)n1 2267548342 FUYUWWHIYHEFKL-UONOGXRCSA-N 447.345 1.338 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268720653 ZAARMHUHFGEEHL-UHFFFAOYSA-N 446.357 1.776 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300333377 DQWVZFDQXYRIJI-STQMWFEESA-N 439.343 1.464 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319757191 SKZHJMIFNFYIKF-LVQVYYBASA-N 440.346 1.412 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2337292089 NBCLQCTXBFMSMM-GJZGRUSLSA-N 446.357 1.943 30 10 IDEE CN(C)S(=O)(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1 2349898104 HHDBQHNVQOAFGP-UHFFFAOYSA-N 433.177 1.987 30 10 IDEE Cc1cc(C)cc(NS(=O)(=O)c2ccc(NN=C3C(=O)NC(=S)NC3=O)cc2)c1 12487224 FUZUYJPFBCNYLO-UHFFFAOYSA-N 431.499 1.403 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1F 72444275 SGKNKMWGGBWYLO-DZGCQCFKSA-N 425.420 1.476 30 10 IDEE N#CCC(=O)NCCCNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 219769468 YRBCQDAOBKKFEY-UHFFFAOYSA-N 435.278 1.361 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@@H]1CCCO1 447009840 ZVXWAYJWQWLXDS-INIZCTEOSA-N 437.521 1.864 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)n1 462957086 PDEZHQCPHQZGJE-UHFFFAOYSA-N 448.870 2.211 30 10 IDEE CN(C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCCC1 465007616 IGCKJIJYDOTCEO-UHFFFAOYSA-N 447.561 1.365 30 10 IDEE N#CC1(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCN(Cc2ccccc2)CC1 482548505 GZWCRTLJCYRVCJ-UHFFFAOYSA-N 440.525 1.234 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 506273362 PZEODWYXCVXXIU-UHFFFAOYSA-N 436.984 1.471 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1C1CC1 514913417 JAFNGYIGOLVXPU-UHFFFAOYSA-N 441.509 1.054 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 522284740 YRBJYOIUMHJJJM-UHFFFAOYSA-N 439.537 1.777 30 10 IDEE CN(C)c1nccc(N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)n1 525494712 MGFJHXQHPINFNZ-UHFFFAOYSA-N 435.532 1.918 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)C1=O 541050677 ANRLKDQXYMLRKG-CQSZACIVSA-N 425.363 1.582 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CC2)n1 546196791 SYKOIKLPSGBGAF-UHFFFAOYSA-N 433.921 1.624 30 10 IDEE CN1CCN(c2ccc(-c3noc(CS(=O)(=O)Cc4ccc(C#N)cc4)n3)cn2)CC1 547015393 BHCSYDWYJDXXKZ-UHFFFAOYSA-N 438.513 1.870 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 555246983 ALDXVUNMDRYJGF-HXUWFJFHSA-N 440.548 1.381 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(CC)Cc1cn(C)nn1 574002930 KVTMKSCQHRTVOO-UHFFFAOYSA-N 444.565 1.748 30 10 IDEE Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1S(N)(=O)=O 610425335 LCEOEGIWIOHZRW-MRXNPFEDSA-N 430.511 1.668 30 10 IDEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670216101 FWGKLDZDMVDOHS-INIZCTEOSA-N 440.504 1.915 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730143556 UPZJKTAHBBFNHF-WMZOPIPTSA-N 447.605 1.827 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730144593 OTIFBOCSHWWUAV-RBUKOAKNSA-N 428.558 1.846 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c1 732652120 NPWQRQITAKPECE-HXUWFJFHSA-N 444.557 1.489 30 10 IDEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732663809 HFHXKRSXAIGRLA-QGZVFWFLSA-N 425.518 1.358 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(OC)c(C#N)c2)c1 746888083 XFNPZHIDRODAAV-UHFFFAOYSA-N 432.502 1.075 30 10 IDEE C[C@H]1NC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)=NN(c2ccccc2)C1=O 749377843 LQXGQFPSIFVFTQ-KDOFPFPSSA-N 448.508 1.737 30 10 IDEE C#CCN(C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1CCS(=O)(=O)C1 774028516 KQZQGQQKPHETAC-AWEZNQCLSA-N 429.495 1.020 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)n1 788822861 HGQKUKBNMMTAEX-HSZRJFAPSA-N 437.500 1.649 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)Oc3ccc(C#N)cc3I)cnc21 798582908 PSRCSTYSQJCKLO-UHFFFAOYSA-N 435.181 1.212 30 10 IDEE Cc1nn(-c2ccccn2)c(C)c1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 802721847 IUCQLTDSNJCYST-KRWDZBQOSA-N 432.509 1.313 30 10 IDEE C#C[C@@H](N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1)C(C)(C)C 807934897 BLQOLUGFEYZPBE-DLBZAZTESA-N 432.594 1.950 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 812186771 AMYVTWWRVNOUKV-UXHICEINSA-N 445.589 1.612 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)cc1F 813682092 XHRFUZLEBHANMI-CYBMUJFWSA-N 433.465 1.482 30 10 IDEE O=C1CC[C@@H](c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)CN1CC1CCC1 856567732 YBSPWDZLIKQFCF-CQSZACIVSA-N 429.502 1.814 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(C)C)CC1 913410979 WEVFLVXYBIDESS-KRWDZBQOSA-N 434.562 1.467 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@]3(C#N)CCCOC3)C2)CC1 1136343772 JUVWOKSMXFMVIM-HTAPYJJXSA-N 434.537 1.625 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1136897217 NTHJFXZDGVRAPE-KRWDZBQOSA-N 448.524 1.658 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOc4ncccc4C3)CC2)cc1 1138070841 DPNSCGNEMVLRHO-UHFFFAOYSA-N 426.498 1.775 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccnc(C#N)c1 1139855330 HIPHYXVDJLSDQC-GOSISDBHSA-N 430.486 1.299 30 10 IDEE CNC(=O)[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C 1143174984 ILRKLKBGWKSWIU-IBGZPJMESA-N 445.516 1.642 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1159641083 BWLIUZJCINCBOM-CYBMUJFWSA-N 448.339 1.636 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1 1169552052 YINVMSULFZWAGR-UHFFFAOYSA-N 427.526 1.565 30 10 IDEE C#CCNC(=O)CN1CCN(Cc2cc(OC)c(C(=O)OC)cc2Br)CC1 1170613968 DTLBBNDYRMBXDT-UHFFFAOYSA-N 438.322 1.111 30 10 IDEE N#C[C@]12CN(C(=O)CCN3CCN(c4cccc(Cl)c4)CC3)C[C@H]1CS(=O)(=O)C2 1179653113 VAONCBYBXBCPBZ-OXJNMPFZSA-N 436.965 1.249 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1251127654 HSUXDAZKJZWODO-UHFFFAOYSA-N 430.383 1.884 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286356598 RVZQEVXASJXTKE-LJQANCHMSA-N 445.593 1.557 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286391683 FLYSAFCCAADLPJ-ZSYWTGECSA-N 436.578 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286397659 BPBCAVLCURYLJB-CVDCTZTESA-N 427.549 1.998 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1286426521 XZLQAVYBQJHFKL-GOSISDBHSA-N 446.511 1.553 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286439302 NYUIFGZOOCDGJC-LJQANCHMSA-N 444.543 1.810 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOCC)CC2)CC1 1286478627 BXNYCUMZEGZTHT-GOSISDBHSA-N 435.594 1.142 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1286496515 SRCOZXPNIMGXFP-YOEHRIQHSA-N 429.637 1.588 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286500020 NJHHGIRDGFUKGB-MRXNPFEDSA-N 435.531 1.843 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)CC 1286527551 MVJZWBFKJXCNNS-OAQYLSRUSA-N 442.545 1.660 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNC(=O)C(C)C 1286549487 WEXBTENZQLLPLF-QZTJIDSGSA-N 432.569 1.704 30 10 IDEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286702514 OVKRZAPXNIYONH-UHFFFAOYSA-N 435.536 1.479 30 10 IDEE C=CCCOCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286715986 AKUKEMOSTGRAQI-OAQYLSRUSA-N 431.541 1.832 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2C)C1 1286780741 PWIUHCYISBCRPT-IRXDYDNUSA-N 446.577 1.493 30 10 IDEE CCn1cnnc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1295953422 GHKYRTPFNOWKOM-YOEHRIQHSA-N 426.456 1.946 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1300304519 SLVSVXRTISLOBW-CTNGQTDRSA-N 435.576 1.899 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1300313909 RECNKKKTJCCOIT-FUHWJXTLSA-N 431.562 1.759 30 10 IDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300349223 RNFVYCPIMSZOKQ-UHFFFAOYSA-N 439.520 1.867 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1300500826 DRHNVKSLODMDLS-IBGZPJMESA-N 430.578 1.902 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300502875 ZBAWLZGSHLTTNF-OALUTQOASA-N 429.546 1.317 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1300618934 PAPYLUMTLVCTGN-UHFFFAOYSA-N 445.593 1.860 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)CC1 1300695843 MJCVGXBZLDNQAW-UHFFFAOYSA-N 446.515 1.016 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)c2ccccc2)CC1 1300710915 PUQRGKCBHPJDOT-UNMCSNQZSA-N 438.576 1.894 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)CN2CCOCC2)CC1 1300721998 FJUZCETVRZCWQS-IBGZPJMESA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300751765 QWFQYSPTBGWPRD-SFHVURJKSA-N 444.586 1.701 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300983255 GAFJCSJKRDCZMS-LJQANCHMSA-N 441.580 1.999 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300990313 UWERIJNUHOGPNB-INIZCTEOSA-N 427.571 1.283 30 10 IDEE COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301027066 QHQYWOZVKNSMNK-SFHVURJKSA-N 435.488 1.460 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301253069 VNAFFOFESCWXMZ-OALUTQOASA-N 443.552 1.541 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301448244 GDMUOCFLBKMETB-OYHNWAKOSA-N 442.520 1.495 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1301524811 DKHTWSOPOLLLLZ-UYAOXDASSA-N 441.532 1.736 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC)CC1 1301528470 CITHCKKCIITLET-UHFFFAOYSA-N 441.536 1.491 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCC#CCN(C)C)c12 1302295763 SXZGHNYYOGKRCR-INIZCTEOSA-N 429.546 1.272 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)C1 1303203948 DDHGWXULNUONIW-NJNPRVFISA-N 429.569 1.716 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CCCNC(=O)C2CCC2)n1Cc1ccc(C#N)o1 1303341112 REFFQEPOFGMFSC-UHFFFAOYSA-N 427.509 1.672 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1303459983 MVYSTNUWBMHKOS-GOSISDBHSA-N 427.509 1.289 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1303496899 LLRGBORCTBNUEJ-YADHBBJMSA-N 442.495 1.908 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1305249164 IAKBEDUWQABMLI-KSFYIVLOSA-N 425.537 1.709 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1 1305570835 OCLGANGGFKTXNM-QGZVFWFLSA-N 433.530 1.727 30 10 IDEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1306470880 LJLJHPWAGKWOQB-ARJAWSKDSA-N 432.492 1.118 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 1312335026 XOHIJUSHPKPBKV-UHFFFAOYSA-N 428.518 1.200 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 1313371218 MTELOPUUIFDUIC-ICSRJNTNSA-N 432.546 1.779 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCO2 1326468051 UWFYSTXAZLNGHR-QGZVFWFLSA-N 440.500 1.759 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1358961223 UPTMCQSFNNILFX-GJZGRUSLSA-N 437.616 1.749 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1358971635 CPLDOVAFJFLRHO-UHFFFAOYSA-N 441.513 1.264 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(C)cn1 1358978757 UBSDVUGLSDIBOB-UHFFFAOYSA-N 429.532 1.730 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN(CC)C(=O)OC(C)(C)C 1358981691 UEEARADGWKPUNR-UHFFFAOYSA-N 428.537 1.730 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1359010755 YMLJWTHSSBEGGW-OAHLLOKOSA-N 438.579 1.192 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359042553 LFECCETVSPFNLO-QUCCMNQESA-N 441.532 1.864 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359060532 YEVFDVHTPPELNM-QGZVFWFLSA-N 436.607 1.520 30 10 IDEE C=C(Br)Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359088717 RLFJLYOBJHGUMT-KBXCAEBGSA-N 442.358 1.894 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)OC)C1 1359089031 AFLMGDFAFHJEHJ-NUJGCVRESA-N 440.504 1.906 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359089523 KNGRQLXJSQHHLT-RQXXJAGISA-N 433.553 1.782 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)CC(=O)NC(C)C 1359296415 IPYXERFXCISABE-UHFFFAOYSA-N 449.353 1.971 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1359301403 YFKRCRQQGRVVBU-SFHVURJKSA-N 438.532 1.939 30 10 IDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1360269309 FLQAQHUQFOWBBS-UHFFFAOYSA-N 439.520 1.345 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@]3(C#N)CCc4ccccc4C3)c(CCO)c2=O)n1 1447866364 MGTZINRRCPDDDJ-HSZRJFAPSA-N 432.484 1.288 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC#N)C(F)(F)F 1455983815 LJPBIQFJRNYZPD-KGLIPLIRSA-N 435.424 1.677 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)nc2Br)cc1 1456157002 OSIMZNYPGZOJMK-UHFFFAOYSA-N 426.267 1.825 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1462630109 NCDQBJHTBCOBSC-AWEZNQCLSA-N 447.517 1.420 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)c(Br)c1 1463744636 AABBMDDDHDUBAT-LBPRGKRZSA-N 448.339 1.827 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](CS(C)(=O)=O)C3)C2)C1 1468357901 UEGREQLWCQZLEQ-OXJONJSCSA-N 425.551 1.666 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O)c1ccc(Br)cc1 1468451192 PIIGNMXYHBHCAU-YLFCFFPRSA-N 431.290 1.164 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1497108569 NWBNQVDUABQWTK-OAQYLSRUSA-N 428.493 1.705 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1503416297 SEMLNJHORUZUJE-SJORKVTESA-N 442.545 1.355 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507518607 VWZPTYQGTNJZGW-HZSPNIEDSA-N 428.559 1.259 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCO[C@@H]2C)c1 1507549976 RMFXEHOWVCLEAJ-WAIKUNEKSA-N 434.500 1.869 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1507564072 MLDPACLOUYNLPK-ROUUACIJSA-N 439.582 1.420 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1507617696 YPTKFCCPDQGFNR-PKOBYXMFSA-N 431.562 1.874 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507629996 SOMSZPXWCSVDFT-HNNXBMFYSA-N 445.574 1.313 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507633883 VKMANEHCRAQPMQ-MSOLQXFVSA-N 430.530 1.466 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507634244 XYZOGYRIAPVKOO-AABGKKOBSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507636034 XMQOSWNJDYGYGH-RXVVDRJESA-N 429.546 1.052 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1507731256 DONUVXGZUOPQKO-INIZCTEOSA-N 449.481 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1507742126 BEIMOQAIQHKFCY-UHFFFAOYSA-N 443.640 1.468 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507751609 PWAGPCMNPJERFJ-LJQANCHMSA-N 446.621 1.283 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1508077040 JRQYZNQOGDRCIX-ZDUSSCGKSA-N 425.942 1.770 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(CCC)C(=O)C1 1508087392 QJRTYERNJAALOQ-UHFFFAOYSA-N 440.548 1.628 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC[C@H]2C)C1 1508126598 IFUQUZUFINKYIQ-WCIQWLHISA-N 435.569 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1508143496 ZPONNHZXLGXKMO-QGZVFWFLSA-N 439.582 1.078 30 10 IDEE Cc1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CCO2)o1 1511733230 FYHBDDVWZUYGCD-QGZVFWFLSA-N 436.476 1.564 30 10 IDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)no1 1513739924 FAFDWIWBDQGYQT-MRXNPFEDSA-N 441.517 1.628 30 10 IDEE CCc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513890581 RNLUHWLVAQQOTR-VLUKHXRESA-N 442.442 1.915 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1517450279 FGRBGHLBGDEJPQ-INIZCTEOSA-N 427.578 1.684 30 10 IDEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1518974010 GRUWNVUXXRMUEM-BEFAXECRSA-N 442.561 1.927 30 10 IDEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1519066076 GFSUMJNFHTUKGZ-JQHSSLGASA-N 432.550 1.668 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CC1 1521143250 HNFPRBQXUYXMNY-SFHVURJKSA-N 448.593 1.713 30 10 IDEE COc1cc(C(=O)Nc2ccc(Br)c(C#N)n2)cc(OC)c1OCC(N)=O 1529520116 AJSRVMHQQZZZMY-UHFFFAOYSA-N 435.234 1.849 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539216236 POXLPGLTMPMXQJ-AEFFLSMTSA-N 433.582 1.036 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1539283848 BLHUNTJYPXYRLG-CALCHBBNSA-N 428.537 1.646 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1539296613 RVENIWMESOQYMB-OAHLLOKOSA-N 434.591 1.613 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1539324861 YNFKCOVXWHLRJE-INIZCTEOSA-N 430.505 1.839 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCS(=O)(=O)C1 1539338548 WNRWWFAXQGFUJW-FHWLQOOXSA-N 434.562 1.290 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539365527 MNWUAVZPEBECAC-FQEVSTJZSA-N 436.560 1.980 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1539416369 MVUAUBKRGCTVKQ-CYBMUJFWSA-N 440.513 1.562 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540862241 WFDUZCIFERRQSF-ULQDDVLXSA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCOCC 1540863833 GTJGQLRVFVERLJ-UHFFFAOYSA-N 425.331 1.821 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C 1540871955 YLSAEHOPTJVCNA-QGZVFWFLSA-N 442.520 1.444 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccoc1 1540897675 PHPWBDXLUUZCTC-UHFFFAOYSA-N 430.490 1.756 30 10 IDEE N#CCc1cccc2c1CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 1560042212 ISJKLAKZHFLQOH-UHFFFAOYSA-N 426.542 1.507 30 10 IDEE C#C[C@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1564117547 RJCDVZIKBSWXRD-INIZCTEOSA-N 435.546 1.912 30 10 IDEE C#CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1564648588 KUAUCDHRJZOUDG-DLBZAZTESA-N 441.313 1.939 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(S(C)(=O)=O)CCCCC2)s1 1584701830 GYZLLLGCXWFHIZ-UHFFFAOYSA-N 434.605 1.619 30 10 IDEE C#CCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1587893906 KCOCVNGBERVNIC-VGSWGCGISA-N 444.536 1.110 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588054602 OHYDHWKTFGEONM-ZWKOTPCHSA-N 432.550 1.352 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595501568 YCRAHPYHUVJJMD-INIZCTEOSA-N 437.953 1.914 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1595562149 PBIOADKJMAHKRC-UHFFFAOYSA-N 425.537 1.307 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1596831298 LJAURKYUPFFYRE-WMZOPIPTSA-N 439.582 1.609 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ncc(Br)cn3)CCC2)cc1 1597135734 WTPRFOFSXDXRPK-UHFFFAOYSA-N 449.330 1.960 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)s1 1616581147 IXIRVUZMDVTRDX-KUHUBIRLSA-N 444.575 1.618 30 10 IDEE COc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1619178723 XMXNLYRRWBVZHR-ZZEZOPTASA-N 438.488 1.705 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1620175801 ZZRAHOXTFUKNSR-UHFFFAOYSA-N 449.537 1.075 30 10 IDEE N#CCc1ccc(OC[C@H](O)CN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1620532916 YFSGEDQIVHASSF-RCZVLFRGSA-N 435.524 1.996 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(O[C@H]2CC(=O)N2)c1 1626368260 GCIDHNGLALRRGS-IBGZPJMESA-N 428.470 1.369 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1C 1627136185 AGBJLJQBVASPAS-QFBILLFUSA-N 439.559 1.036 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3cccn3C)CC2)s1 1630149751 LMNZERBGHZUQQJ-UHFFFAOYSA-N 436.559 1.078 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)s1 1635257289 QIFSYJJNALHADF-CQSZACIVSA-N 430.548 1.324 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)c1 1640652315 COZKQMWGDKGQEQ-ZDUSSCGKSA-N 434.445 1.930 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C1=O 1641031912 CLFGANVZKNBBSZ-UHFFFAOYSA-N 425.272 1.619 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 1641121393 ZWGXPZUPEPVTHZ-CQSZACIVSA-N 449.554 1.685 30 10 IDEE C=CCn1c(SCC(=O)N2CC(O)(C(N)=O)C2)nnc1-c1ccc(Cl)cc1Cl 1641914504 ZRQJISIBNOKIME-UHFFFAOYSA-N 442.328 1.589 30 10 IDEE COC(=O)[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 1642110916 GYOSMIGHDADAAA-KUHUBIRLSA-N 427.482 1.524 30 10 IDEE C#CCOCCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1642785804 VFOZZUQELLXTBD-ROUUACIJSA-N 434.537 1.421 30 10 IDEE C#CCN(C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C1CSC1 1645208592 CGVWWJZLJNMEFH-UHFFFAOYSA-N 444.582 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1649190940 UGMJYYOWJMCMNQ-ZWKOTPCHSA-N 448.545 1.837 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OCC 1656400616 SKDXJQICEAYADF-ZDUSSCGKSA-N 428.891 1.550 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)n1 1661770569 RAZMZLDUZGMYJT-MHZLTWQESA-N 428.511 1.506 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc1 1667790726 DBSIFDLIBFPUTN-HDICACEKSA-N 429.473 1.927 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 1671511290 XFLNGUYLZUUJKY-KRWDZBQOSA-N 438.550 1.868 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C#N)cn1CC 1678537070 GAGBJKMTQDWNQF-INIZCTEOSA-N 430.509 1.327 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1689983447 BSTDRXSQOREGQB-IBGZPJMESA-N 443.529 1.106 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1690019765 QXYRPZPIRKTVEU-SFHVURJKSA-N 439.520 1.625 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1690077500 PXOQJTKYLZKYHO-MRXNPFEDSA-N 434.541 1.572 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCSC)CC1 1690124059 DRMOHBMWVNEVOA-KRWDZBQOSA-N 425.624 1.469 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690170738 PACAWHGKVVCKMT-FQEVSTJZSA-N 432.638 1.753 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]1c1nncn1C 1690674800 FYIZFBUDXCUBSP-SFHVURJKSA-N 436.520 1.672 30 10 IDEE CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1695827576 MOJHJZMKBNYADF-NVHPEQRVSA-N 427.553 1.991 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1696461739 LKZMUXUAEOLGAH-APWZRJJASA-N 447.561 1.882 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(N(C)C)CCSC1 1705544997 LLCCRLGLMUIVSV-HXUWFJFHSA-N 433.603 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC(F)(F)CO2)CC1 1705643525 JFCTYRKEDFHAMY-ULQDDVLXSA-N 425.480 1.182 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1705672716 GMCKLPUOYKYGRK-WZONZLPQSA-N 438.507 1.719 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705728559 OGUPGTGCVDMUSY-YLJYHZDGSA-N 439.582 1.511 30 10 IDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1705760122 APTHWIUKSLQJDF-LIRRHRJNSA-N 438.916 1.155 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705791226 QMPSCZNRMIKDBX-DOTOQJQBSA-N 443.552 1.598 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1705897317 KCVSJSDFJCTHOS-SZNDQCEHSA-N 430.484 1.561 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1705919960 NMEGJRVHDQPVLW-HXUWFJFHSA-N 434.504 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC[C@@H]1C 1705930280 KATJWTVBJRSCJD-KKUMJFAQSA-N 433.600 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705936286 NLEVDPYSHHLGIZ-SJORKVTESA-N 439.582 1.616 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1706746612 CNSHDEKTODERED-PBHICJAKSA-N 436.513 1.537 30 10 IDEE COCC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712271156 VGDUUFIZYZNYRV-IGGDJGDASA-N 430.509 1.171 30 10 IDEE COCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712370534 ZPLGLPBMRPQQGR-IAGOWNOFSA-N 426.525 1.585 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC2(O)CCOCC2)CCO1 1712885869 AZZZKLPDSAGUGX-GOSISDBHSA-N 431.468 1.657 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1722296072 NIKWXJDFAQIPOS-HKUYNNGSSA-N 431.562 1.620 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722306370 KDLXKYDNQOMWBQ-KRWDZBQOSA-N 436.582 1.224 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722334409 BHLGSRWOVZMZMG-SFHVURJKSA-N 428.562 1.875 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722371748 LEYYBSUZWPXGAW-RTBURBONSA-N 444.561 1.459 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1722412200 WVGCWZIZMVVPJQ-JTSKRJEESA-N 425.537 1.452 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC(=O)N2)CC1 1722449656 NQCDSLDYBASYCS-OAQYLSRUSA-N 448.571 1.698 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722538331 NVHHRYGOEUDESJ-FCHUYYIVSA-N 433.553 1.770 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(Cn2cncn2)CC1 1722701564 UYTPSLFEFYYOQJ-UHFFFAOYSA-N 434.548 1.874 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1726798687 FNQJGMTUWDTLBA-VGSWGCGISA-N 443.552 1.756 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](OCCOC)C3)n2Cc2ccc(C#N)o2)CCOC1 1728798915 SZXSWLXPYRBPTH-LAUBAEHRSA-N 431.493 1.685 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1729211227 FPSBJQIJYRFBNZ-OAHLLOKOSA-N 448.549 1.545 30 10 IDEE COCCOC1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1730883501 MKUOPYLRXHOLJI-GOSISDBHSA-N 447.561 1.871 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1740549680 GNCQMHNOXKDJCA-AEFFLSMTSA-N 433.553 1.909 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1740615454 FCTSSFZBNVCJOE-IKGGRYGDSA-N 437.541 1.279 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740618528 ITWUFHKEBRRUIK-GOSISDBHSA-N 431.562 1.959 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1740675067 DBSWTPVPSIBMEJ-UHFFFAOYSA-N 448.545 1.265 30 10 IDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740863537 AJYJVUYPXGJHOP-SFHVURJKSA-N 430.553 1.409 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1740875885 LVXAPMGEMHSAHS-GOSISDBHSA-N 441.561 1.740 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1740981223 MLKOVYFKOLIAMB-RTBURBONSA-N 431.562 1.870 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1741802385 HVBPGJPOOUXPDV-KGLIPLIRSA-N 434.497 1.696 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CN(CC(C)C)CCO1 1742835129 DFLBGBHRGMTFNQ-HKUYNNGSSA-N 439.568 1.320 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1743030643 HWWLEJANZSJYAF-ZGNKEGEESA-N 438.532 1.982 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CCOCC1 1748766420 PKHSPFVVCAJWDM-MRXNPFEDSA-N 449.552 1.845 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748814818 JOIQLXQAGSCIHU-LJQANCHMSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1748818457 ZVZCYAJXPIXTQH-JKSUJKDBSA-N 446.520 1.471 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1748821410 QFXGMHDHJUPESF-SFHVURJKSA-N 448.593 1.439 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1748921249 ZQONVOUZOOJGRW-UHFFFAOYSA-N 425.537 1.465 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCNS(C)(=O)=O 1749124989 SFIAOPVERJUUQA-MJGOQNOKSA-N 449.577 1.920 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1749454555 IPYJXUMYVYKFJK-UHFFFAOYSA-N 432.481 1.487 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(F)cc(F)c2C1 1749677972 QTHXJEUULAHCMW-UHFFFAOYSA-N 430.459 1.544 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nnn(C)n2)C1 1749697685 MMKCSLGVQQHRBK-PBHICJAKSA-N 428.472 1.910 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1750075070 BBOMKFNUZRAPBN-MAUKXSAKSA-N 448.549 1.155 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1760109912 HSALGOTWWYSUFL-MRXNPFEDSA-N 427.534 1.480 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760183664 QCWFCBOJYAHZMY-OAHLLOKOSA-N 446.920 1.965 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760184670 KQRXVSWYKHPQAH-FXAWDEMLSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760190276 ZHTTWVSSYJXXHM-RBUKOAKNSA-N 444.557 1.774 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1760206028 PGMPQCGMKLOZJY-CYBMUJFWSA-N 436.431 1.170 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1760259476 CEOKTLFLTHETNM-UHFFFAOYSA-N 442.568 1.691 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1760327576 IZKGPIIRQREWRT-KGVIQGDOSA-N 448.568 1.373 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1760355182 ATQRBKIAXKYQEZ-HNNXBMFYSA-N 437.504 1.854 30 10 IDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1760371896 PTRVZYGTQTUUAN-KRWDZBQOSA-N 447.971 1.756 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1760509779 HOBLZWGXKWIBJH-QGZVFWFLSA-N 427.484 1.315 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760527908 LYPDQCIZLGANOJ-OAQYLSRUSA-N 430.484 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760554982 SSYRZNCZXMSACM-CAOSSQGBSA-N 428.580 1.016 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)C(=O)NC 1766089538 DRVKJORBZDRWBF-MRXNPFEDSA-N 442.520 1.757 30 10 IDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1771073587 CPIAKWUZYCQPCH-UHFFFAOYSA-N 433.534 1.779 30 10 IDEE Cc1noc(-c2ccn3c(CC(=O)N4CCC(N5CCC(C#N)CC5)CC4)nnc3c2)n1 1850718531 SEUKYMVDBUFACN-UHFFFAOYSA-N 434.504 1.857 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3nncn3C3CCCC3)CC2)n1C 1853405896 XEOGPNVICOKDRI-UHFFFAOYSA-N 442.568 1.412 30 10 IDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)C(=O)C2)C1 1856835919 BJNDCEBJFSUTJO-IBGZPJMESA-N 433.574 1.344 30 10 IDEE CC(C)(C)c1ccc(C(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856838356 IYMJMYHSOHDVJZ-SFHVURJKSA-N 432.546 1.196 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)C1 1858320500 ADYJERRXNKWZRO-MRXNPFEDSA-N 435.527 1.617 30 10 IDEE COCCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1859013763 MVNDYUVHDBHWFW-UHFFFAOYSA-N 431.470 1.592 30 10 IDEE CCOC(=O)CCN(C)C(=O)[C@@H](C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868782823 LDOAHGZMGZCYHQ-WBVHZDCISA-N 434.562 1.941 30 10 IDEE CCOc1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890275232 BCENHDONVAOWSP-UHFFFAOYSA-N 429.561 1.723 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NCC(=O)NCc2ccco2)[C@H]1c1ccc(C#N)cc1 1892262141 RXSQSMULHYFXCX-RTWAWAEBSA-N 440.525 1.977 30 10 IDEE N#Cc1cc(I)c(I)c(S(N)(=O)=O)c1 2055361457 WKJMYUUQQCNZBO-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE CCCn1nnc(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2194930918 SLPZFIVHSJMNJT-OLZOCXBDSA-N 442.362 1.895 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 2247570594 AHPWYQGDPZGFMJ-OJLPUSQMSA-N 437.537 1.780 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413497 XQBPOYHQINHAAC-NEPJUHHUSA-N 439.343 1.751 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2251306534 MXQXSTMVFLMYLQ-CMDGGOBGSA-N 432.273 1.907 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](O)C1 2255681687 VUQPZAQVHPZSIQ-DLBZAZTESA-N 432.326 1.696 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2255831165 RBMUPFSCXVCOBQ-ZDUSSCGKSA-N 436.318 1.308 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(OCc2ccccc2)C2CNC2)n1 2255833099 XDUQDOVBTDHYKC-UHFFFAOYSA-N 426.326 1.748 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)n1 2267155866 ZWKLNHIODJMZBG-SFHVURJKSA-N 444.263 1.485 30 10 IDEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1NC(=O)C(F)(F)F 2267182803 BBEQQYRVZJXJFQ-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267589968 ILLBIWFCTUBNJX-DOTOQJQBSA-N 449.357 1.517 30 10 IDEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267596791 MASKAJSXSUXXRP-ZDUSSCGKSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268642363 RPXGBTCXHRTUHN-FUHWJXTLSA-N 446.353 1.972 30 10 IDEE C#CC[C@H](CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2286043078 TZVGQOHTHSSHQD-RTBURBONSA-N 436.530 1.766 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2303326126 RYPGPNXBXFDZCN-AVGNSLFASA-N 425.345 1.981 30 10 IDEE C[C@@H]1C(=NO)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1C 2344455674 WKSFGDGVGSBZHS-WTOJCKNJSA-N 425.482 1.901 30 10 IDEE Nn1c(N/N=C/c2ccc(O)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 21315699 IDVWEWJYROLDLA-DJKKODMXSA-N 428.434 1.783 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(O)c3)n2N)c1 21316721 UOIKPLVYVDJEIV-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE Cc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)ccc1C#N 435756910 WCJZXRHCIYMLSI-UHFFFAOYSA-N 437.499 1.394 30 10 IDEE N#Cc1ccnc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)c1 436004525 DIXLZPQWCDRMSP-UHFFFAOYSA-N 437.275 1.708 30 10 IDEE CNS(=O)(=O)NC1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 436517469 NXEWPVRVYMFMLJ-UHFFFAOYSA-N 427.530 1.953 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 462093050 NOVGXBKXYGFETF-UHFFFAOYSA-N 425.474 1.711 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1 468944239 MGJBQHBJSPFKRJ-SFHVURJKSA-N 436.497 1.043 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 472482702 XWCPMBYXFCZONL-AWEZNQCLSA-N 427.465 1.442 30 10 IDEE CSc1nc(O)c(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)cc1C#N 476563259 JNUPBEAWDABWFC-UHFFFAOYSA-N 425.514 1.950 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CC3)c2=O)c1 478854100 YDVMRBZGTPUMNF-CQSZACIVSA-N 425.510 1.456 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(N2CCCCC2)CCN(C)CC1 482370077 HEWVUGFVRUSRPZ-GOSISDBHSA-N 447.605 1.292 30 10 IDEE N#CCC1(O)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 506363306 NLZQTVHKHAQABI-CQSZACIVSA-N 428.308 1.089 30 10 IDEE CC[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 512633088 KGCOUWMGSLXCRT-SFHVURJKSA-N 428.518 1.584 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 514493576 DYFRHLJLIVXKGG-GOSISDBHSA-N 442.472 1.336 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@H]1CCCO1 519215528 LLYLWPBJDHHGOU-MRXNPFEDSA-N 427.501 1.342 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1Cc1ccccc1 532620184 VJAQGQPXSFRIIH-UHFFFAOYSA-N 429.423 1.624 30 10 IDEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 544835594 URUWTNNQQDBBQR-QMHKHESXSA-N 438.532 1.739 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)C2=O)cc1 549190983 SWVOUAZGLSOPMK-UFYCRDLUSA-N 426.517 1.526 30 10 IDEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 549767195 XZIJQMXNSMTAIH-FQEVSTJZSA-N 426.521 1.991 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(F)c1 559179311 OXCPKAXHPJXNCF-UHFFFAOYSA-N 432.433 1.893 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 563328462 KXKNNAZHMJEHOS-VQTJNVASSA-N 445.479 1.092 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 618202230 FMCXSNVKTHUVAS-VFNWGFHPSA-N 444.923 1.764 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670229902 KZYMPXXLZGTHQC-IEBWSBKVSA-N 429.569 1.079 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(-c2ccncc2)cs1 726881005 FLJAKLSNAROVSU-UHFFFAOYSA-N 427.511 1.950 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccccc2O)cc1 737251375 VDQCVRMENFZPLD-CLCOLTQESA-N 444.513 1.502 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1COCc1ccccc1 737305154 FPNPRTZNSTVAMT-QURGRASLSA-N 448.479 1.985 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)cc1 741432147 NNMYVSNORQKPIL-IBGZPJMESA-N 441.509 1.822 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCSC)c2=O)cn1 743726088 DOTUUHBMDSGSDZ-UHFFFAOYSA-N 446.598 1.378 30 10 IDEE Cc1cc(C(=O)COC(=O)c2cc(C#N)cn2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 751731004 IRIJEZRJWMSTOB-UHFFFAOYSA-N 440.481 1.991 30 10 IDEE CCc1c(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cnc2c1c(=O)n(C)c(=O)n2C 754345939 IMDPIGADLCMGMC-QGZVFWFLSA-N 447.451 1.029 30 10 IDEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 762546415 KDJDYYOIXYUFLY-SFHVURJKSA-N 426.542 1.848 30 10 IDEE Cc1cc(C=NNC2=NC(=O)C(=O)N2)c(C)n1-c1ccc(I)cc1 765593203 CIOYYRMWNCEZJH-UHFFFAOYSA-N 435.225 1.635 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)n1 788862211 POGHVTAQNZPUFS-GOSISDBHSA-N 426.521 1.495 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 805785985 LZLGXZLWFHHAKQ-QGZVFWFLSA-N 444.513 1.029 30 10 IDEE C#CCCCNC(=O)C(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 806390014 DHDNADCRPUKRCH-UHFFFAOYSA-N 429.498 1.642 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1 808113220 BFVBOHHBRIRDPC-CYBMUJFWSA-N 449.460 1.806 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 809890093 TUKQSMWBUWEBFW-CQSZACIVSA-N 427.527 1.007 30 10 IDEE COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)ccc1OCC(=O)NC(C)C 916776059 QFXOTBMJNVQXHL-UHFFFAOYSA-N 445.497 1.730 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 923513036 BUCUUUYFYDOWRY-FWHMADFJSA-N 425.482 1.949 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)O1 1125244953 WGTVRRLANKBGSO-HOJZTQIQSA-N 437.518 1.939 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1131117004 NNOIQBGPOZVPCI-NSHDSACASA-N 435.433 1.443 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)OCC 1151574526 SUJKIZSHWJASSN-CQSZACIVSA-N 435.955 1.556 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)CC1 1152967449 HMYGLKHLGRUOJY-SFHVURJKSA-N 439.537 1.633 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1155520932 KTBBPJJITVRIQM-YCRPNKLZSA-N 426.510 1.225 30 10 IDEE COC1(OC)CC2(CN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@H]2C(C)C)C1 1163812387 GSSQXTHIZZVDIB-YJBOKZPZSA-N 435.546 1.861 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](CO)c3ccc(F)cc3F)C2=O)cc1 1167611451 QXIMWTWRXDPYTH-QZTJIDSGSA-N 428.395 1.891 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3ccc(S(=O)(=O)NCC)cc32)c1 1191611213 ZGCIOTJGJHIDNH-UHFFFAOYSA-N 426.498 1.677 30 10 IDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1196779123 RLTMAWSUVGJQIX-OAHLLOKOSA-N 425.507 1.266 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)cn1 1212444699 CJNDPLOSJOEMSQ-UHFFFAOYSA-N 430.255 1.683 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)C2)c(=O)nc1O 1234103634 RGQBIVREACHBNC-GCJKJVERSA-N 441.463 1.300 30 10 IDEE CN(c1cccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1)S(C)(=O)=O 1251517408 SDGXXFOZQMENHE-UHFFFAOYSA-N 428.518 1.381 30 10 IDEE N#C[C@@]1(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCCOC1 1265124287 YUTQJIMHKYDWDI-IBGZPJMESA-N 436.306 1.819 30 10 IDEE CN1C(=O)[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1278866100 NQVFYCOIFFZWJQ-QZTJIDSGSA-N 431.452 1.467 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286338370 AEZGRXBXLZUQKC-INIZCTEOSA-N 447.561 1.846 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286386230 WYIZVSXEUUBHJE-MSOLQXFVSA-N 445.593 1.431 30 10 IDEE C=C(Br)Cn1c(N(C)[C@H](C)CC(N)=O)nnc1[C@@]1(OC(C)C)CCOC1 1286547189 JPYGKIYSQISBRY-CXAGYDPISA-N 430.347 1.927 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1286772319 AYZLBRFVIIZRBM-SFHVURJKSA-N 440.504 1.873 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1290465217 HWOVMMNBQKAKIX-SFHVURJKSA-N 441.438 1.159 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1291189456 BIQHUQAXXSJCNV-FOGNVHKLSA-N 426.546 1.785 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(CCC(=O)N(C)C)CC3)n[nH]2)c1C 1292877936 OJDLMBNAHGNSGT-UHFFFAOYSA-N 427.553 1.749 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1297981582 BCKDQGDFFARMSG-LJQANCHMSA-N 434.504 1.397 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C2CC2)N(C)C)c1 1300333328 ZPSDFIDJDKTBKA-PMACEKPBSA-N 449.559 1.626 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)cc1 1300460594 ZTWSOEPYHCYDBI-UHFFFAOYSA-N 437.529 1.455 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300502874 ZBAWLZGSHLTTNF-MOPGFXCFSA-N 429.546 1.317 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2conc2COC)CC1 1300706206 JASGSXFJTLAKNR-UHFFFAOYSA-N 436.516 1.838 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOC2CCCCCC2)CC1 1300706913 UMDHTRZNGJRCRF-UHFFFAOYSA-N 428.581 1.895 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300754539 CBFYLBXABYQUMY-SFHVURJKSA-N 426.550 1.455 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300763005 SXNGMUMKYBILTB-IAGOWNOFSA-N 446.577 1.305 30 10 IDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1301709103 FBZXRZRALMERAH-QGZVFWFLSA-N 448.549 1.235 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1302164981 DGFNGEMOKFBISD-UZUQRXQVSA-N 441.532 1.988 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C\c2ccccc2OC)c2ccccc2)CC1 1302921773 SJKNUILPOVHTPK-UZYVYHOESA-N 439.537 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCCC[C@H]12 1304002649 WCWGTIWVAHFOGT-SNHGZMDHSA-N 437.562 1.953 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1338378090 NJZQLNJORZGWKA-QHCPKHFHSA-N 435.484 1.971 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1358954234 ZRHRYAZATFYHMG-UHFFFAOYSA-N 426.521 1.099 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359215653 GYPIAVNEEQHBKA-KSZLIROESA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1359301232 VGBNUHSTDSMGAG-WMLDXEAASA-N 427.461 1.092 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1359328260 YPMYZRPFMGGZHD-IYBDPMFKSA-N 425.555 1.490 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 1449427507 SHTWXXCXNJFCPX-UHFFFAOYSA-N 432.521 1.819 30 10 IDEE COc1cc(/C=C(/C(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc2)ccc1O 1453840753 FXNWUQBVVGSOLH-WOJGMQOQSA-N 432.436 1.892 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@]3(C#N)CCCOC3)CC2)cc1OC 1456647137 INLKDALLFOBWCN-FQEVSTJZSA-N 437.518 1.293 30 10 IDEE N#Cc1ccc(N2CC[C@H](N3CCn4ncc(I)c4C3)C2=O)cc1 1460823399 JPLYPROUZMNYNF-HNNXBMFYSA-N 433.253 1.980 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1472595202 RILCFRQVFGPTBX-QGZVFWFLSA-N 436.472 1.054 30 10 IDEE CN(CCN1CC2(CCOCC2)C1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478420659 CEKWUNDYVCIMLA-FQEVSTJZSA-N 425.533 1.807 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1501406496 BOQQZRLOQSSVTF-IBGZPJMESA-N 437.548 1.454 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1502689452 ZEIWHDJRWUNKDD-QVKFZJNVSA-N 428.493 1.406 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1=O 1504906497 UMPCLCURAIBCNJ-ZHALLVOQSA-N 438.532 1.925 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1505144882 AWWGAPQHYVCEIU-LJQANCHMSA-N 432.575 1.699 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC 1507521396 MLDIIRLNIYFUTL-NSHDSACASA-N 444.330 1.854 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632772 PNABOPCJXFILCA-NCXUSEDFSA-N 436.578 1.614 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507650136 CODURWRBUIIELC-MOPGFXCFSA-N 434.548 1.746 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1507700470 QQJOSKUFJVXPOF-QZTJIDSGSA-N 438.507 1.923 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC1 1507723461 JINWIXYDQSFOSN-QGZVFWFLSA-N 444.486 1.943 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507752587 CGYBZLIEBFNWNZ-NRFANRHFSA-N 432.594 1.068 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1507792082 WHJVQDJIAUVSHE-ZWKOTPCHSA-N 446.552 1.774 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)CC1 1507897361 PWFISBYZFHZNQW-AWEZNQCLSA-N 436.586 1.686 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1507934747 JBHCISZYLYVYRE-HNNXBMFYSA-N 425.555 1.007 30 10 IDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC=CCC1 1508094012 FQRRDLWVDVWKJI-UHFFFAOYSA-N 435.576 1.711 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1508157801 BKJZYAKWBMCHPB-ROUUACIJSA-N 434.610 1.697 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508952839 MQNBAZUHWBPCHY-YGCDDZCOSA-N 438.536 1.730 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1519392621 JPLHDVMRGLLOFO-JOCHJYFZSA-N 440.504 1.901 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCO[C@](C)(C#N)C2)C1 1536618805 KQECTDOALLVNCH-NHCUHLMSSA-N 439.509 1.475 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(=O)(=O)CC 1539168079 PKKUBWOTTUQMQA-UHFFFAOYSA-N 427.534 1.530 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1539241283 AGQALJUGTPYCSK-HSZRJFAPSA-N 437.500 1.522 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1539415241 BTBUCTDTYFILRN-GOSISDBHSA-N 429.496 1.746 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1539444184 IKPZKQZAQGQJHQ-HXUWFJFHSA-N 447.518 1.579 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccs1 1539563854 RXRKDUSLAINROR-OAQYLSRUSA-N 426.546 1.884 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)C1 1539647443 XFBXYEGAJMWDGI-KBXCAEBGSA-N 430.534 1.187 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1540004698 DSYXVMWMDKTTIZ-GUDVDZBRSA-N 437.610 1.693 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1540021759 YLRRXDMUSLRYGQ-HNNXBMFYSA-N 435.550 1.749 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1540904367 MSEIXUMFSASDGW-UHFFFAOYSA-N 449.552 1.667 30 10 IDEE CCOC(=O)C[C@H](O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1542096587 QZEMFYOTFYVCGD-HGSNWSKYSA-N 425.507 1.532 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1554489157 DYMROZXJVXHPRE-SFHVURJKSA-N 448.531 1.667 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554690738 ODYPXJUPBKSQIZ-XBEJARPLSA-N 444.536 1.704 30 10 IDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NCC3CCN(CC#N)CC3)cnn2c1 1565738075 HDRUBJOGUOGJPO-UHFFFAOYSA-N 441.536 1.762 30 10 IDEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)O1 1566990632 ZLPAEGHEKFARIS-RJTVGWIUSA-N 434.537 1.525 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C1=O 1568440553 YDNLIMOZENKLDG-KSFYIVLOSA-N 443.504 1.829 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@@H]2C)c1 1587683150 CNGRATDJCQPKEO-GRDNDAEWSA-N 430.534 1.525 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCn2ccnc2C)c1 1587684480 XNVBEMAREVRAPK-UHFFFAOYSA-N 448.531 1.678 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1588055279 UTIRPOWKFWVMBY-LJQANCHMSA-N 443.573 1.618 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC2c3ccccc3Oc3ccccc32)CC1 1588199561 UUHMEQIYHOTLTD-UHFFFAOYSA-N 425.510 1.926 30 10 IDEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCN1CCCS1(=O)=O 1588446149 ZZXNDOMPNCVHRF-UHFFFAOYSA-N 431.562 1.969 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1589296628 VYKXKRHVRXBZIX-GOSISDBHSA-N 446.309 1.693 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1593696669 UZFBKLOPSSOJMW-VGSWGCGISA-N 442.520 1.902 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593712329 ZESOVUHZCVLEHM-RTBURBONSA-N 425.489 1.770 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1595217691 AVTGGAHHRNCEJC-KRWDZBQOSA-N 432.506 1.302 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1595501451 UIZQTPZUZAOXLP-FQEVSTJZSA-N 438.576 1.968 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(C)cccc2C1 1595552026 ZNNKGUMVEYVZEB-KRWDZBQOSA-N 429.546 1.354 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C)CC1 1595760757 RVYHPKFULAGZFV-LSDHHAIUSA-N 433.600 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C 1595776525 BCDSXEVDZQJVPW-CQSZACIVSA-N 437.953 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CC)C1 1595812537 XOAQAKXOHGUNES-INIZCTEOSA-N 425.580 1.850 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CCO1 1596632252 AAQWPWDKGROBDP-UTKZUKDTSA-N 437.548 1.642 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1611676650 AJBIKNYIOXQZFM-NQYLQCIDSA-N 436.582 1.833 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1616215722 RMIINRWWHRWYNW-RTWAWAEBSA-N 434.516 1.679 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1618327941 HDRKGPHVEDTXKZ-CWFNNOHCSA-N 432.525 1.907 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1618732850 WGZBGFGSCBSCSJ-NRFANRHFSA-N 435.505 1.886 30 10 IDEE N#Cc1c(CCCNC(=O)CN2CCCCC(=O)C2=O)nn(-c2ccc(F)cc2)c1N 1629820062 GPLCYTCFHDFUOI-UHFFFAOYSA-N 426.452 1.096 30 10 IDEE CCOC(=O)CON=C(C(=O)N1Cc2ccc(OC)cc2OC(C)(C)C1)c1cc[nH]n1 1630194326 QWEGUYJTFPJJJT-UHFFFAOYSA-N 430.461 1.902 30 10 IDEE O=C(NCC[S@](=O)CC(F)(F)F)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1632730722 BESXLZWGWXKDLO-MHZLTWQESA-N 431.305 1.873 30 10 IDEE CC[C@@H](CNS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1636941248 OCRDAQWXWIXKPD-QXGUJMOYSA-N 428.555 1.217 30 10 IDEE C#Cc1cccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)c1 1638020719 WBRSNYLNGOSSQU-LJQANCHMSA-N 428.510 1.526 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)c1 1640652314 COZKQMWGDKGQEQ-CYBMUJFWSA-N 434.445 1.930 30 10 IDEE CCOC(=O)c1cc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)on1 1643858488 DWOAXNSBNKTWGH-HNNXBMFYSA-N 448.501 1.621 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)[C@H](C)O)cc1 1644588145 XXNQQAWLATVULZ-YSSFQJQWSA-N 431.514 1.086 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1654096654 AUEYTIXAUXTLRI-AWEZNQCLSA-N 449.330 1.977 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 1660940441 PLQWGCMEKDCMQA-LLVKDONJSA-N 427.953 1.107 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1Br 1665351165 ADGMJRGVYKOLST-UHFFFAOYSA-N 432.315 1.945 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCN3CCN(Cc4ccccc4)CC3)CC2)cn1 1677107276 HALXRYXUCWWISM-UHFFFAOYSA-N 433.560 1.603 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1682096516 WWWMQKGXIPPYDL-FPOVZHCZSA-N 430.524 1.240 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1689965963 HRKQBYXMYVFOSM-SFHVURJKSA-N 449.602 1.645 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC(O)CC1 1690027117 ZSTNPDWSCUDRJM-UHFFFAOYSA-N 425.508 1.916 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C)nc(N2CCCC2)c1 1690102115 CSMGTMRKKOYUPX-LJQANCHMSA-N 437.548 1.667 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690167065 AITORDWZUGMYRQ-NRFANRHFSA-N 439.545 1.521 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690299159 HJGMLIQBGTVUAS-CVEARBPZSA-N 441.492 1.453 30 10 IDEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690478521 ZYESFJRPTOHOOM-OAHLLOKOSA-N 440.504 1.076 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690666034 WWDSDFWAYCTEEB-MRXNPFEDSA-N 443.939 1.887 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690731391 JUURMHRNZZMUNU-QGZVFWFLSA-N 433.534 1.466 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690734025 UBERXDBUDDNBGJ-ROUUACIJSA-N 436.626 1.883 30 10 IDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1692851397 FEEPGIOKVPAWEM-OXQOHEQNSA-N 436.582 1.931 30 10 IDEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1693931534 BRGXHDRDCCVVHI-UZUQRXQVSA-N 440.548 1.909 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1705517276 RZONQMONUKTRRU-GOSISDBHSA-N 449.581 1.093 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705532343 MEVVBWBHLHIEHP-GOSISDBHSA-N 439.545 1.187 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705590406 KFGNIDGOIHXCJD-DHIUTWEWSA-N 425.533 1.404 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1 1705602200 LWPIGEDKGQZWBQ-INIZCTEOSA-N 439.524 1.385 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705641706 PRZVWRWQNMSTCE-UHFFFAOYSA-N 441.601 1.643 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCc2c[nH]nc2C)CC1 1705649342 UEYOFZHQHSISQZ-UHFFFAOYSA-N 432.532 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705650084 LGSHRTLGFIVYDS-OAQYLSRUSA-N 442.608 1.553 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705761901 FGXMPEHEVLYVBU-HZPDHXFCSA-N 445.973 1.513 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1scnc1C 1705938383 WXYLJGXIYNBINQ-UHFFFAOYSA-N 438.579 1.403 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710746439 XDQXBEFVRKRCEZ-UWZWCOGJSA-N 444.414 1.109 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1712398757 WAHFGYNTZDNGBO-INIZCTEOSA-N 448.549 1.235 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NCC)CC1 1722324948 BYUOYRGVNDTNBF-UHFFFAOYSA-N 444.561 1.614 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1722370956 SVMILWOKAWRFFI-INIZCTEOSA-N 432.502 1.218 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1722434321 PKBYHAHPEHAWRW-UHFFFAOYSA-N 440.511 1.974 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(C)CC2)CC1 1722440515 JXTBJKFMQLECLU-UHFFFAOYSA-N 427.597 1.278 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722695305 ZCOWHRMSHPEJEB-NRFANRHFSA-N 448.575 1.335 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722697190 XDVVZXJFGZGTGZ-PKOBYXMFSA-N 427.553 1.133 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cn4ccccc4n3)CC2)nnc1C(C)(C)C 1722703506 ARPJSJJHUGBGDJ-UHFFFAOYSA-N 436.564 1.848 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(CC)CC)C1 1722719614 XGTOUJHJQYSJMG-RCCFBDPRSA-N 425.599 1.692 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722740578 QSYAGHHEWAEKKS-SJORKVTESA-N 431.566 1.943 30 10 IDEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1 1722796499 BMAOMFLPGVTASR-IBGZPJMESA-N 429.569 1.466 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1722861075 BCRCEGUUFZDLOM-HOTGVXAUSA-N 439.511 1.466 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNC(=O)c1cc[nH]n1 1729091987 PFYKNUMIONDXBZ-MSOLQXFVSA-N 434.504 1.711 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)cc1 1730089759 BHPQKNIDOWCMFX-LJQANCHMSA-N 426.521 1.793 30 10 IDEE COCCOc1ncccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1730889799 VNDPOGIKRGPERZ-IBGZPJMESA-N 435.488 1.461 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1731187574 SMZNBLJNYQYUCW-SJLPKXTDSA-N 431.518 1.722 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740567254 PCCGHNAIKQAUCG-MRXNPFEDSA-N 438.598 1.387 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1740618868 CNCLGSUXIXHQEL-KRWDZBQOSA-N 430.530 1.999 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1740717112 KBEOGDBYYMDRHV-KRWDZBQOSA-N 449.606 1.055 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 1740759635 DLUIYQWGVMMXQT-RYRKJORJSA-N 431.541 1.062 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1740990135 JRECPVLXEBZNOL-UHFFFAOYSA-N 449.625 1.838 30 10 IDEE CC(C)(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1741238215 BOCKNPDQNJVNPY-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)C1 1741983142 GXIXNMUYSBGMFO-BMGDILEWSA-N 425.580 1.178 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1742668813 FFJCBJXXERUDLT-JOCHJYFZSA-N 426.569 1.878 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 1746733079 DXDSBMQKMLPVSC-SXWKCWPCSA-N 440.548 1.962 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1747419960 NDPGJPVNKYGXJS-QFBILLFUSA-N 428.562 1.924 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748810618 YLZSUJGDIPOIEE-MRXNPFEDSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748812061 PBVLNFXEEIAIGM-OALUTQOASA-N 428.562 1.307 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-n1ccnc1 1748968716 IXMNQBWZOSITRS-UHFFFAOYSA-N 433.516 1.721 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN2CCOC(C)(C)C2)CC1 1748994835 TWFAYRYFFHPXJS-UHFFFAOYSA-N 436.604 1.929 30 10 IDEE COCC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749533556 IMDXLRPTTRPXCG-QTIQAUKSSA-N 430.509 1.519 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1749612504 FLWFTVAXRRAKDN-PGRDOPGGSA-N 429.521 1.990 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749650926 JPSQWGFPWQDTJP-HNNXBMFYSA-N 444.540 1.151 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749669198 IEKLPHPSAJLPMN-SJORKVTESA-N 448.568 1.777 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(c2nc(C)ns2)CC1 1749734783 MVYZDQWJAVIMBQ-UHFFFAOYSA-N 425.584 1.318 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1750075525 FNOLUWCXOVDTEM-KBPBESRZSA-N 436.504 1.660 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)CCO1 1750389265 XSSMWSULEQKKKB-MRXNPFEDSA-N 427.534 1.260 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1751005460 BGKCXIIUSSSLIB-SFHVURJKSA-N 432.550 1.120 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1751094252 GUGNXSMVLDPGNZ-QFBILLFUSA-N 425.537 1.956 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCS1 1752317856 CDOUBQFZYISEDK-LIRRHRJNSA-N 433.559 1.308 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1760188684 LPKAKXHJGXJPKJ-MRXNPFEDSA-N 430.559 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(F)ccc2OC)CC1 1760273537 XOWHOJAZFIOUTB-UHFFFAOYSA-N 429.496 1.976 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)CC1 1760284000 DJCACUMFVBHWNI-UHFFFAOYSA-N 432.575 1.338 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760525591 KZXPBDBTPRWEOI-GOSISDBHSA-N 436.520 1.717 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1c(C)nn(C)c1C 1760525730 OVXHCYIVBATQDZ-UHFFFAOYSA-N 428.566 1.923 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(=O)NC)CC1 1760527987 OQZRFSYIKLUPLE-UHFFFAOYSA-N 444.511 1.651 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1760544462 ALRPYCXZSXHYJW-ICSRJNTNSA-N 429.569 1.961 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)CCN1CCOC(C)(C)C1 1760552298 JVAHKJJADRLCSS-UHFFFAOYSA-N 436.582 1.421 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(Nc2cccnn2)CC1 1760556536 HDNWJTRSSPIPGR-UHFFFAOYSA-N 431.566 1.702 30 10 IDEE Cc1nccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1762353801 YAGVWSPJPHPGFF-UHFFFAOYSA-N 448.531 1.993 30 10 IDEE CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1764809407 HUJFXJDMJZMXBX-MRXNPFEDSA-N 426.502 1.790 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1770110413 RUDLYEJMPPTZQT-UGKGYDQZSA-N 427.505 1.864 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCCCCO)cc1 1770740214 APTKFGPAAMTVJV-QGZVFWFLSA-N 426.477 1.532 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1771267178 DEYVBUXBFJKWRL-IBGZPJMESA-N 447.561 1.883 30 10 IDEE N#Cc1c(F)cccc1N(CCc1c[nH]c2ccccc12)C(=O)CN1CCNS1(=O)=O 1852005704 SJLJPBBGSHHGRB-UHFFFAOYSA-N 441.488 1.904 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2cn3ccsc3n2)C1=O 1854144935 ZOJXXNIZSBAWLQ-SJORKVTESA-N 429.546 1.565 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CN1CCOC1=O 1854591147 RRJDRCGGHBYBBM-UHFFFAOYSA-N 433.486 1.307 30 10 IDEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)C1(C)C 1856107306 UKWHHRZXRWTBQK-UHFFFAOYSA-N 435.546 1.347 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1C(=O)O 1874337514 MDOAZRKDKNMDQR-SLSPDHCBSA-N 445.501 1.848 30 10 IDEE C[C@@H](C#CC(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1)NC(=O)OC(C)(C)C 1901983556 MNJVEYFXQZGVNH-RBZFPXEDSA-N 425.482 1.483 30 10 IDEE C=C(CN(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)B1OC(C)(C)C(C)(C)O1 1929640698 GMBRHPSZWTUMJR-UHFFFAOYSA-N 434.323 1.732 30 10 IDEE CC#CC(=O)Nc1c(I)nc(C)nc1I 1975070068 GOVZZICXSIAVNL-UHFFFAOYSA-N 426.983 1.956 30 10 IDEE CNC1(C#N)CC(Cn2cnc(I)c2I)C1 1979919929 KBFGKHQPZGCRDE-UHFFFAOYSA-N 442.042 1.984 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1984990668 NMWBCOOAZXVKGM-BZUAXINKSA-N 425.526 1.637 30 10 IDEE C#CCn1ncc(NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)c(Br)c1=O 2106031992 DBEQZXILXUGQSV-GFCCVEGCSA-N 429.315 1.669 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248420005 LTDPRNMZXBYCDB-NEPJUHHUSA-N 438.359 1.843 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2255629608 YMIUTPVFUPVGSI-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE CCn1cc(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255656035 VDHLOINMPZQJHS-KGLIPLIRSA-N 434.346 1.845 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699064 UVLVVQMDZQNXIV-CABCVRRESA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](F)C1 2255827766 MOMYYZUDVJPDQV-UONOGXRCSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256639554 JHKHFWYQMVVRKM-OAHLLOKOSA-N 435.330 1.984 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)O 2256928552 KQCBXZFJYVKFSX-MRXNPFEDSA-N 428.294 1.894 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267177567 PDYYXTKCYWQTBG-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE Cn1nc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267552350 RWSGGELDMKSORB-NXNIQBKKSA-N 446.357 1.895 30 10 IDEE CC[S@@](=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267708570 MIJHFXCKXWVNCQ-XMMPIXPASA-N 427.806 1.748 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268635042 MWJHBIJCQLNAGZ-AWEZNQCLSA-N 446.313 1.055 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2269711452 ONDFPNYPIQXXQF-UHFFFAOYSA-N 437.349 1.666 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2315538764 NBGRUSVYKGILNC-KGLIPLIRSA-N 434.346 1.752 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@H](Cc3ccccc3)C(C)=O)cc2C1=O 9702345 XPYYDGUAHBQXIL-HXUWFJFHSA-N 434.448 1.942 30 10 IDEE COc1ccccc1CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445529 QPBCLRGLNFEZBX-UHFFFAOYSA-N 442.541 1.232 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4ccccc4Cl)n3)n2C)n(C)c1=O 21077658 BWBQGUQTZSWYQV-UFWORHAWSA-N 445.896 1.339 30 10 IDEE C=CCn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nc2ccccc2c1=O 24716995 PODKIKAUHRMJLG-UHFFFAOYSA-N 438.513 1.512 30 10 IDEE CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)cn1 59311880 IVDMLPHJHDZKOY-ODCIPOBUSA-N 444.521 1.893 30 10 IDEE COc1ccccc1[C@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N 72444265 BHBIGWAGDLNQMN-GDBMZVCRSA-N 437.456 1.346 30 10 IDEE C[C@@H](C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO)n1cnc(C#N)n1 409637695 IDJMZATYSDPURH-NSHDSACASA-N 430.266 1.968 30 10 IDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 460942765 DMDAPGOSYSWVLK-QGZVFWFLSA-N 430.520 1.993 30 10 IDEE C=C(C)Cn1c(SCC(=O)N[C@@H](C(=O)OC)c2ccn(C)n2)nnc1-c1ccco1 470746290 WPXWPQXDMUUDER-MRXNPFEDSA-N 430.490 1.970 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)o1 480937347 PKFJYWBLSXNLEJ-MRXNPFEDSA-N 445.541 1.103 30 10 IDEE C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CCC(=O)[C@@]2(O)COP(=O)(O)O 504398634 VDOLADXQHJJIQS-GYKIMFSQSA-N 440.429 1.675 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCCC(C)C)CC1 508792925 GHEVOKBWGFPIDU-SFHVURJKSA-N 441.598 1.829 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O 519800556 BJHAVYFNCYEZOH-UHFFFAOYSA-N 449.536 1.089 30 10 IDEE C[C@@H]1Oc2c(cccc2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)NC1=O 520504081 APKUYSCYEYRMAT-AWEZNQCLSA-N 440.481 1.424 30 10 IDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)N1CCCC[C@H]1C 522611255 KBOCRBZIJHJHMO-IAGOWNOFSA-N 447.561 1.364 30 10 IDEE COC(=O)[C@@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCSC1 536259099 UYACPWPHKGVBOK-LJQANCHMSA-N 437.543 1.124 30 10 IDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 549891275 WXHLPUNGVCYWSG-PKOBYXMFSA-N 445.545 1.779 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N 553544607 KEKBUHWIJRRQHO-UWVGGRQHSA-N 432.296 1.055 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1C[C@H]1CCCO1 555377923 IKXAJDMTFFTXPG-GOSISDBHSA-N 439.537 1.127 30 10 IDEE C(#CCN1CCN(c2cc(C3CC3)[nH]n2)CC1)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 560199619 OMQKZLSXGVCYBA-UHFFFAOYSA-N 434.592 1.835 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1C(=O)O 578192696 HWCQGAMVRMUCKE-UHFFFAOYSA-N 430.486 1.818 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(C)cc2C)c(=O)n1C[C@H]1CCCO1 603797197 BVMWJJNGPOEFSH-GOSISDBHSA-N 437.565 1.819 30 10 IDEE Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 610563995 JQFZAZORKBRGGC-UHFFFAOYSA-N 442.423 1.849 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)C1=O 726042531 DGCYLVUJDTZEGQ-LSDHHAIUSA-N 437.452 1.926 30 10 IDEE COCCCn1c(S)nc2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc2c1=O 732664342 HLHFHEZHDWOLHU-MRXNPFEDSA-N 427.530 1.534 30 10 IDEE C=CCc1ccc(OCC(=O)NS(=O)(=O)N2CCC[C@H]2C(=O)OCC)c(OC)c1 735774562 YQAWBBNAZVMQCM-HNNXBMFYSA-N 426.491 1.191 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 737306573 NBLGQKOCDKDXJJ-CCEZHUSRSA-N 426.351 1.209 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746281822 GSLXHMUMTKDZDM-UMIVRTMYSA-N 426.473 1.850 30 10 IDEE CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 754530465 VATNFJRLRVQEIL-GHTZIAJQSA-N 446.596 1.921 30 10 IDEE C#CCN(C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 774195879 DMQNWRDHECMKKA-YLJYHZDGSA-N 446.573 1.836 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)cc2C1=O 775426635 COOKWZLEXFSLAD-HNNXBMFYSA-N 429.473 1.834 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 781019607 GLXZYZXFBMBAMQ-TZIWHRDSSA-N 425.510 1.975 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 789322272 GIDHKHPMZUQHTB-UHFFFAOYSA-N 425.533 1.322 30 10 IDEE 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C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)n1 1588722747 DZQXOSMELHFLHS-OALUTQOASA-N 443.596 1.957 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC2(C)C)n1 1588724291 WWPSVBNUEXNZEC-FUHWJXTLSA-N 425.537 1.758 30 10 IDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1593746464 FYHZTZSWPCKPKF-UHFFFAOYSA-N 440.552 1.371 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595536928 JCRYCMRIPLGECY-YOEHRIQHSA-N 437.504 1.757 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1 1597167309 ZKNIRFCXBOIPBC-UHFFFAOYSA-N 427.889 1.793 30 10 IDEE COc1ccccc1CNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccccc3)S[C@H]12 1614586268 OTUUTASEVLSLNQ-XIHRTOKZSA-N 427.526 1.814 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1619017222 UVZVIZGYFQLUQR-HUUCEWRRSA-N 427.452 1.689 30 10 IDEE COC1CCN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1619506845 DKFQMACKSIXSMN-HRAATJIYSA-N 433.532 1.561 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1619928313 FLLLJVFVYMIPEL-HRAATJIYSA-N 426.525 1.304 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1620075820 PQCIQKYWPCWRGU-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1620149522 ICTGTSKHOXKHDZ-ROUUACIJSA-N 445.545 1.547 30 10 IDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1620158780 GQYPVQMNZMPEQD-KRWDZBQOSA-N 426.502 1.370 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)c1 1626475233 JZKYTGJDCYYGJR-SFHVURJKSA-N 439.447 1.060 30 10 IDEE C=CC1(CC(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)CN(C(=O)OC(C)(C)C)C1 1639494386 IHEGLLDCIPHOEO-UHFFFAOYSA-N 430.505 1.914 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@@](O)(CC#N)C2)C1 1643609606 OCBQADMPMQFVBZ-LEWJYISDSA-N 439.509 1.211 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2nccn2C)C(C)(C)CO)s1 1643776772 BMOKCMQFLKUHQL-MRXNPFEDSA-N 426.564 1.364 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccccc2Br)CC1 1644282116 VBQOGFNICDPJAV-UHFFFAOYSA-N 444.351 1.220 30 10 IDEE N#Cc1cncc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1645030139 VPGLDPBNLISTHY-UHFFFAOYSA-N 430.486 1.489 30 10 IDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)C1 1646381976 NXJNJAZITFVNDJ-UHFFFAOYSA-N 439.537 1.013 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN[C@H](CO)[C@H]1CCCOC1)CCCC2 1653886846 CPNZVPZVMBSICC-ABSDTBQOSA-N 430.549 1.733 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)CC1 1655019696 GLNWMVQELYZSQC-YPAWHYETSA-N 429.540 1.066 30 10 IDEE C=CC(C)(C)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1671005123 SASKIQAARNSPHS-UHFFFAOYSA-N 433.552 1.302 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)n1 1675397798 CMQFHBDCBOOMEO-KESTWPANSA-N 430.530 1.679 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1689831198 HAFYAZWNTVNGJR-HRAATJIYSA-N 447.561 1.278 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689988447 PCLRIRQELWEWSA-KRWDZBQOSA-N 430.530 1.848 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690172643 KQEHBBRMQHBYJC-RTBURBONSA-N 446.621 1.281 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690299393 QALCMWRPMRITIT-FQEVSTJZSA-N 447.628 1.614 30 10 IDEE C=C(C)COCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OCC)CCOC1 1690319889 CBRPFNIDJJOESZ-OAQYLSRUSA-N 435.525 1.602 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(=O)NCC)CCC2)CC1 1690411085 DTUOMRCYMRXRES-KRWDZBQOSA-N 435.594 1.889 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1690668981 PFTHOZZGCKFFOO-HNNXBMFYSA-N 442.524 1.531 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690722185 ALTCJVBIDZSLKL-MRXNPFEDSA-N 434.566 1.759 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)N1CCOCC1 1690737400 LKJJMUKKKKPHCW-UHFFFAOYSA-N 445.545 1.888 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CCO1 1690957456 HFGYCPJZRRXEQU-GHTZIAJQSA-N 442.545 1.026 30 10 IDEE CNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1696954102 SKTKDEWPCOAIIU-JOCHJYFZSA-N 442.520 1.794 30 10 IDEE COC1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697214552 DYJKPSQTJPQUKV-VLGSPTGOSA-N 443.895 1.745 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCC(F)(F)F)cc1 1698487835 BTKLXAKABOKGFD-OAHLLOKOSA-N 447.421 1.306 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1705477773 RTAIKVSKTWVTNY-KBPBESRZSA-N 449.524 1.177 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C#N)C1 1705515014 QLCJSDXRJDTMBR-MRXNPFEDSA-N 427.534 1.770 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705564892 FEHYTVCBICGXFC-ZWKOTPCHSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1705588972 LYNPACGLAMWPJE-INIZCTEOSA-N 442.545 1.358 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CCOC)c1 1705836927 KPGJYGOSPZEFMT-UHFFFAOYSA-N 430.534 1.862 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1705909720 GKWUWAHFFWRUHS-LJQANCHMSA-N 437.504 1.243 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CCOCC2)CC1 1705930132 GGFNJBFWRSTDFQ-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705946377 GRQZMFXUBLAUGC-BRWVUGGUSA-N 442.607 1.484 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1706187841 HBZUARFBAYENMO-OSXTUODASA-N 434.522 1.282 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1706229603 OENKPDXVXLHPBG-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1708257978 SXJVGBOMHFNQEX-NXHAUGRDSA-N 426.452 1.836 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1711074112 UEEMNWFEEDYKBJ-OALUTQOASA-N 445.545 1.494 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1722278761 QXLJIYRHWOMVQV-NSHDSACASA-N 431.298 1.647 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1722345686 QTIFAEURBKMURX-IEBWSBKVSA-N 430.578 1.622 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccs1 1722370704 MVZUQFHYQSFTCD-UHFFFAOYSA-N 433.497 1.490 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1722384364 VLPOFQOQDXMZSB-QFIPXVFZSA-N 433.556 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1722432804 FOFZHGQPIIPRMH-JTAQYXEDSA-N 431.581 1.889 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)COC)CC1 1722624568 CTCGYMCJCJRAQP-UHFFFAOYSA-N 443.504 1.562 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722626423 DECBALMDPATRIW-FCHUYYIVSA-N 449.552 1.942 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722697300 ZLERWDCXZKGHBU-UHFFFAOYSA-N 440.552 1.312 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1(c2ccccc2)CC1 1722698604 IMFZFSPRUKNRED-KRWDZBQOSA-N 443.573 1.650 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCO[C@@H](C)C2)CCO1 1729680751 HNFQLDWGQDCCRV-ZWOKBUDYSA-N 438.532 1.973 30 10 IDEE COCCOCCCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730920225 XOQHPLHOISFSAP-QGZVFWFLSA-N 440.552 1.975 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2ncn(C)n2)c1 1740562901 NUVJHSJIUJWIHH-SFHVURJKSA-N 434.504 1.753 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740587553 NYPBBYGZYOQBPG-IAGOWNOFSA-N 446.577 1.892 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1740621582 NVKQDKNESDVPFD-OAHLLOKOSA-N 444.492 1.513 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1740622939 LELFDVOPTOIOCD-MOPGFXCFSA-N 436.578 1.758 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1740638443 JJYGVMWSXYMLMD-JOCHJYFZSA-N 445.571 1.120 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1740689023 NWZFLMMLNVVBBH-OAQYLSRUSA-N 449.603 1.790 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740709587 JDKZLRULNFTTKO-UHFFFAOYSA-N 432.594 1.622 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1740725506 RBWSDCDCGZFZLE-JLTOFOAXSA-N 445.549 1.419 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1740792905 MYZLBDNHGKEDEE-UHFFFAOYSA-N 437.504 1.888 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740956355 PRQVZMUFFHRUCP-UHFFFAOYSA-N 449.490 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740992704 LVDDHHFNRMZURX-OAHLLOKOSA-N 437.570 1.270 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1741129471 NIZXOOBQWQWDJA-MRXNPFEDSA-N 442.549 1.666 30 10 IDEE CN1C[C@@](C)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1=O 1748045754 KKYBLNALWKNXAZ-QHCPKHFHSA-N 436.564 1.938 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC(C)C 1748638548 QZNQGWDIGBFKRM-KRWDZBQOSA-N 446.577 1.933 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1748639314 FOLGFQFRWWSUEL-CABCVRRESA-N 432.550 1.547 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1748719409 XFCGBOZRNZMRGS-QGZVFWFLSA-N 443.577 1.855 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1748818574 CIQAVUZGEASZKW-ROUUACIJSA-N 438.500 1.619 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCCC1 1748957227 ZGQWAPSBJABYGP-UHFFFAOYSA-N 449.563 1.881 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(C)CCCO2)n1 1748971048 BJHFTUHDPCHWQB-PGRDOPGGSA-N 441.536 1.281 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2occc2C)CC1 1748991544 ZRKDWQHNTPVAFG-IBGZPJMESA-N 440.548 1.649 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCCCC2=O)CC1 1748993880 PMFOJZAVCJUBCR-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749135364 DXNKWPDYFSVNIS-MDZRGWNJSA-N 437.566 1.005 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749415961 XJFKNGAYNPLYOS-KRWDZBQOSA-N 438.575 1.938 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749668619 BBDCBLAKBSFGIB-IBGZPJMESA-N 435.532 1.673 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1ccccc1 1749669879 OTVZEUNJLXHOJO-SFHVURJKSA-N 431.562 1.551 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749677796 LCACQIJFQBHIDG-SFHVURJKSA-N 442.568 1.183 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(CC)C(=O)C1 1749677990 RJEWPBXTYNNSMV-UHFFFAOYSA-N 440.548 1.835 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)N2CCOCC2)C1 1749718559 FJODZSDRWDDESQ-FQEVSTJZSA-N 441.532 1.806 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C)N1CCCCC1 1750154518 PPHSRBQZSLZHQM-HAGHYFMRSA-N 432.569 1.995 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1760188283 JFYRXCNBFZJVEU-SFHVURJKSA-N 425.518 1.172 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1760218525 IRFVSEUSMWGSTA-QGZVFWFLSA-N 440.529 1.182 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1760219391 CUZOPCGRIOMCNX-QGZVFWFLSA-N 439.607 1.216 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@]2(CCOC2)C1 1760302181 VLOLHNXNKXMSMG-RHSMWYFYSA-N 431.331 1.906 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CC1 1760401768 BUEFPUCOSCUUBB-SFHVURJKSA-N 433.534 1.742 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1cnnn1C 1760480194 NSVHRKIYDUHVEQ-UHFFFAOYSA-N 431.504 1.642 30 10 IDEE Cc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C 1761792449 NJHFUHWJULGUBF-GCJKJVERSA-N 442.520 1.103 30 10 IDEE CNS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1767862737 YKCNFGXICSQQHU-QGZVFWFLSA-N 430.534 1.026 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1769216276 IPYINZRKCCVVMV-SJORKVTESA-N 430.484 1.676 30 10 IDEE COc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 1770168160 NNNYGRAXTHCUME-FMQUCBEESA-N 426.477 1.767 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 1770740379 FLLRHAQMEUXQQG-QZTJIDSGSA-N 429.546 1.849 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCC2=O)CCO1 1770748081 WNIJKGRVNQSPTP-GOSISDBHSA-N 439.476 1.985 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)C1 1772660319 XKKWDXQNCXDJPP-OAHLLOKOSA-N 428.522 1.368 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 1851658343 STZSLGVYTVJWCL-FQEVSTJZSA-N 426.494 1.919 30 10 IDEE O=C(c1cc2n(n1)CCC[C@@H]2N1CCOCC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852734056 SDIZFBYYKDQNBH-ZDUSSCGKSA-N 449.455 1.534 30 10 IDEE Cn1cc(C#CCNC(=O)CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 1852953510 NVORILUOQNBYRI-UHFFFAOYSA-N 429.521 1.109 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(=NOCCN1CCCC1)c1ccccn1 1853583409 HQJUJVUBXMXQMZ-UHFFFAOYSA-N 446.529 1.929 30 10 IDEE N#Cc1ccc(C(=O)N2CCCC[C@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1854032833 AEHZKAHDALDUKF-IBGZPJMESA-N 430.530 1.189 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN(C[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)c1 1855070836 SMPWWWKPMQXIKG-FXAWDEMLSA-N 429.542 1.694 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@H]3CCc4ccccc4C3)C(=O)O2)CC1 1856653059 KZSMTWDNJOMVDL-RBUKOAKNSA-N 431.514 1.704 30 10 IDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C(=O)C2)C1 1856839943 PISSRHSKTDLQEW-OAHLLOKOSA-N 441.500 1.618 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N(C)S(=O)(=O)c2ccccc2C#N)nc1 1858272042 VUFIIVHLCFAMDK-UHFFFAOYSA-N 446.514 1.919 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871555228 UVGUCDWPBYAAKZ-UHFFFAOYSA-N 449.353 1.821 30 10 IDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 1872678782 LOTPWROMNMUIIZ-UHFFFAOYSA-N 445.501 1.941 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2c(C(=O)OC)[nH]c3ccc(F)cc23)c1=O 1873494599 BRKNJNXCAJKHPB-DNTJNYDQSA-N 433.421 1.322 30 10 IDEE CCCn1c(C(=O)NCC#CCN2CCc3ccccc3C2)cc2c(=O)n(C)c(=O)n(C)c21 1891315819 JKBSNNOEVDIXJI-UHFFFAOYSA-N 447.539 1.240 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)[C@H]21 1964924004 MQWSEDAHPMPKJC-UAFMIMERSA-N 426.517 1.857 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060625747 NQXACVXXONSOHR-KCQAQPDRSA-N 438.330 1.993 30 10 IDEE COC(=O)[C@H](CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)OC(C)(C)C 2141667764 MADGZXIZFHXEKB-AWEZNQCLSA-N 449.313 1.776 30 10 IDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243027293 HCOQKEXGCMFCLQ-CQSZACIVSA-N 431.530 1.210 30 10 IDEE C[C@@H](CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2243674836 OIKNTBIPQCUPDE-NSHDSACASA-N 426.348 1.891 30 10 IDEE Cc1cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247831627 BCUZICDZXCRYMC-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255596322 MHZGFQLUVMGXKG-LLVKDONJSA-N 430.236 1.240 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)[C@@H]1CO 2255597559 KBMAJMIXBOFPGU-NBOOPKSLSA-N 434.342 1.601 30 10 IDEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255605830 SFLFZMJYDFANCM-PWSUYJOCSA-N 430.236 1.238 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619081 MQDCRSHYEHVETF-KBPBESRZSA-N 436.318 1.073 30 10 IDEE C[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255808931 PYOQZBSSJFYGJE-MNOVXSKESA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256018913 SZKAMSNYONPARQ-KBPBESRZSA-N 434.298 1.792 30 10 IDEE C#CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)C(=O)OC(C)(C)C 2256637567 VIQCSDGEPQNKRA-UHFFFAOYSA-N 430.314 1.893 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)[C@H]1OC 2256675802 SZTZYAQBPQUIHP-OAGGEKHMSA-N 438.330 1.387 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2256718260 PSYXIQUUDYLFMT-JYJNAYRXSA-N 438.330 1.694 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2256938913 ZMIWVVACQQNRCM-KRWDZBQOSA-N 428.294 1.894 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267011593 IEIBXSFZNAHWHJ-MRXNPFEDSA-N 449.357 1.860 30 10 IDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1NC(=O)C(F)(F)F 2267491952 LKQDJIQBJGVHAH-DGCLKSJQSA-N 444.263 1.248 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267520473 NDUGJGDACBIEEZ-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267805985 QKGXERWOSGQZLM-UHFFFAOYSA-N 448.325 1.994 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881286 YPGLXCYSAGLJTI-SOUVJXGZSA-N 444.341 1.761 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCCCS(C)(=O)=O)cc2Cl)OC1(C)C 2282840900 KFWNAEFVUIRDFT-UHFFFAOYSA-N 443.805 1.414 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]1C2 2312854934 GEOCEORNKAHBIP-UMVBOHGHSA-N 432.330 1.837 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315531887 GODNKEVFGPPLOW-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)c1 2328624305 IWLVBUDXLQPVAK-UHFFFAOYSA-N 427.486 1.943 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1O 2330749817 LODFQTDTJUMYBH-UHFFFAOYSA-N 428.474 1.504 30 10 IDEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1O 2330785783 LPHCJDNAMCPTIX-UHFFFAOYSA-N 435.506 1.802 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)C2=O)cc1 440009016 MTOJGFVDTZGEHB-IBGZPJMESA-N 431.452 1.151 30 10 IDEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CCOC)C(=O)C1 460374275 HAGAHJZSYOHGGG-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 460611654 WGWPBRSQIQHYGF-QFBILLFUSA-N 430.468 2.375 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 463346291 RTCYYDAQMFNOGS-UHFFFAOYSA-N 436.497 1.345 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@H]3CCCO3)c2=O)nc1 474354777 NUVRJYLLWFKCLJ-LJQANCHMSA-N 446.532 1.934 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(I)c(C)cc2C)CC1 474420110 WOMBXIRRNVJXJG-UHFFFAOYSA-N 441.313 1.968 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@H]1CCCO1 477314819 PKAIGHQJKONTHN-QGZVFWFLSA-N 429.517 1.566 30 10 IDEE CCOC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 481500378 FPDFCMHXRGOYMC-LPHOPBHVSA-N 443.525 1.763 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cccc(N4CCOCC4)n3)C2=O)cc1 487515375 KNBZTOOZMLWQBU-HXUWFJFHSA-N 434.500 1.390 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 489200918 XPYAIZISYYRGJG-HNNXBMFYSA-N 438.534 1.687 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 494230664 LZRHIADCPKVGHP-DXIQSLLYSA-N 431.968 1.894 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 508290451 GRNUGAFTTGNZBZ-RBUKOAKNSA-N 425.489 1.133 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508694430 BQIVUTRCYZWGSS-XMMPIXPASA-N 435.576 1.545 30 10 IDEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1C 514920566 SUXLZZOAZFYDBD-IBGZPJMESA-N 437.565 1.796 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 516402603 DLMFPVULPGFUFE-UHFFFAOYSA-N 437.481 1.736 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2C[C@H]2CCCO2)c1 584726506 DFGSAYGQVWPAIJ-UXHICEINSA-N 436.516 1.823 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@H](C)Cn3ncc4ccccc4c3=O)CC2)c1C#N 589616183 YDRDXOYDVKHAPW-CQSZACIVSA-N 437.529 1.953 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 590914673 NQPOOWWSWSLITD-MRXNPFEDSA-N 429.567 1.712 30 10 IDEE COc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 609679787 KTEXIQNNUTYOHI-HXUWFJFHSA-N 434.500 1.595 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1cc(C#CCCO)cs1 703980370 KJBNMOLLJSRAKY-UHFFFAOYSA-N 432.523 1.588 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccoc2)c1=O 727418562 SUKZPSIKWWNLJG-UHFFFAOYSA-N 438.461 1.654 30 10 IDEE C#CCN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 729334023 GPEVXMOUYUJFFW-CVEARBPZSA-N 439.331 1.451 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CCN1C1CC1 737197731 HGHRCWOKDCSPNJ-MRXNPFEDSA-N 427.486 1.019 30 10 IDEE COC(=O)[C@@H](OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(C#N)cc1 740199422 OWHIKYLZAKJUIM-WMZHIEFXSA-N 433.420 1.709 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 746128263 AXJJSMUROMPNED-QZQOTICOSA-N 430.892 1.470 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccn(C)n2)C1=O 760453629 HLPYVUNSSZGEJG-SFHVURJKSA-N 446.552 1.801 30 10 IDEE COc1c(F)cc(CC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1S(N)(=O)=O 762300777 USCYUUSONSAUQC-QGZVFWFLSA-N 433.461 1.496 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 769852867 CSGQCYUFBYNZBT-MLZJXEJWSA-N 425.482 1.949 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)n(C)n1 770797634 ZSPJNLOPZDFZCV-IXDOHACOSA-N 431.541 1.756 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 780281391 UXLZQZAHQSJKTA-NKFKGCMQSA-N 436.534 1.537 30 10 IDEE COc1ccc(OC)c(-n2c(=C(C#N)C#N)sc(=Cc3c(C)cc(OC)nc3C)c2=O)c1 781663146 XXKLWXXXAGVCIQ-UHFFFAOYSA-N 448.504 1.963 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 782979756 LBSRELREUUSNDF-ZWNOBZJWSA-N 441.435 1.693 30 10 IDEE COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 790194644 IKAFHFPFZXVKEY-AWEZNQCLSA-N 426.926 1.411 30 10 IDEE C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 795966442 BARKPJCBGGHZKT-CQSZACIVSA-N 444.469 1.158 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1)C(C)C 798551825 GYVOSPRVGQAVEZ-QGZVFWFLSA-N 441.575 1.072 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCOC)CC1 802424704 RDBXBLCCYANWKX-UHFFFAOYSA-N 449.559 1.872 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807931463 GGJJXEBHUNJWGR-IUODEOHRSA-N 427.523 1.718 30 10 IDEE C[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 811528592 LPARDIKVLMCPNO-MKBNYLNASA-N 446.451 1.141 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 813564203 WVTWVYSFHWSHMQ-XJKSGUPXSA-N 437.541 1.268 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)c1 1084656375 KILFUDXFEFALLO-UHFFFAOYSA-N 440.489 1.833 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1=O 1132315258 GCFVXEDVMWNKBC-IBGZPJMESA-N 426.517 1.787 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1136458117 SJSGYGFABQSZEU-UHFFFAOYSA-N 446.349 1.831 30 10 IDEE C#CCN(CC(=O)N[C@H](C)C(=O)N1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1197767271 AZTXBUMLRWKVSK-GOSISDBHSA-N 434.581 1.838 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CS1(=O)=O 1252736109 HJUKMNBMVZLTEO-UONOGXRCSA-N 433.490 1.604 30 10 IDEE C#C[C@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 1275548866 BCSZUECHCVCGDH-INIZCTEOSA-N 432.546 1.397 30 10 IDEE CN1CCC(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)(N2CCOCC2)CC1 1275943366 SUZTWWVPZYSVKR-SFHVURJKSA-N 437.585 1.486 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1286298326 IKGSNVWEFHFCGK-CRAIPNDOSA-N 429.546 1.388 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286389924 SYLKCTOJTHZNOA-AEFFLSMTSA-N 445.520 1.238 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1286390007 VBQOIMPNPOZTPT-QGZVFWFLSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286393616 LSYJPFRIOOQTPQ-DLBZAZTESA-N 449.602 1.888 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)N1CCOCC1 1286440546 CTSNXILTTJJLEI-OAQYLSRUSA-N 449.563 1.737 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1286446832 IDDIXJJIDJORDB-QGZVFWFLSA-N 429.525 1.828 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)c(OC)c2)CC1 1286469461 GLBFFLFAGGMBJD-UHFFFAOYSA-N 430.940 1.882 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCS(=O)(=O)CC1 1286530136 HASLENMGLNVETP-BBTUJRGHSA-N 436.578 1.819 30 10 IDEE C=C(C)COCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286613583 BVHRZOXTGGHNMF-VXKWHMMOSA-N 435.569 1.874 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1286749247 OAPZOXLPQCHNOB-FOIQADDNSA-N 449.602 1.913 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286792830 JQDKBXKYUXEGGS-HRCADAONSA-N 431.541 1.947 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1294077173 OGNALLKZGSNXGI-BSBNDGSWSA-N 439.520 1.815 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1297760500 RSRIGORWLDUGNG-AWEZNQCLSA-N 439.929 1.052 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1298786276 VXTWZHZQIZQLSX-PKOBYXMFSA-N 444.561 1.713 30 10 IDEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1300353418 UMPQADRLDYGNIR-IBGZPJMESA-N 427.505 1.717 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1300459711 VRDJFAZYEQFNOD-KRWDZBQOSA-N 445.545 1.251 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1300501635 MLGMOZUVIMJKEP-ZWKOTPCHSA-N 431.587 1.644 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1300557197 QLTDHLAASPYSTD-INIZCTEOSA-N 442.545 1.358 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1300622499 ZXIHRUOXDPRLBO-NQIIRXRSSA-N 436.560 1.958 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1300788749 KZYOOSGKUXHWTO-MRXNPFEDSA-N 441.355 1.577 30 10 IDEE C=C(C)COCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301001892 PFCNMGQQAQASSS-QFIPXVFZSA-N 433.553 1.722 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1301424228 IFBCRENGFDPWMA-CQSZACIVSA-N 426.568 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301576149 AGKSMFMKIONFEE-IAGOWNOFSA-N 448.501 1.669 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)OC(C)(C)C 1302287204 RDMBEWIAWBKFGW-AUSJPIAWSA-N 438.504 1.969 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccsc3)n1CCOCCCO)C2 1302989477 LTBHSOBLWDQDBB-UHFFFAOYSA-N 440.529 1.864 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CCOCCCO)cc1 1302989819 UGLIJTKAKISFSM-FQEVSTJZSA-N 438.532 1.807 30 10 IDEE N#Cc1ccc(N2CC[C@@H](N3CCN(S(=O)(=O)NCc4ccccc4)CC3)C2=O)cc1 1307904440 ALGGMIBZFVDSJN-OAQYLSRUSA-N 439.541 1.316 30 10 IDEE CCO[C@]1(c2nnc(N(C)CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1314096000 UZQRYBGPTLQPRS-RURFIKTLSA-N 430.509 1.303 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)F)CC1 1316532962 CIOWITYKDWBXCY-MRXNPFEDSA-N 445.474 1.362 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(N)=O)c2)cc1 1319187986 NWBQXSUCWCECKP-FXBPSFAMSA-N 436.515 1.399 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCOCCCO)c1 1322730868 HRSLPIFRWOJQEL-RELWKKBWSA-N 426.539 1.800 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)nc2)cc1 1350774749 SWPCUMZSVNRKHF-LTGZKZEYSA-N 436.515 1.550 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1COCCO1 1358874684 AQTUULXJPCUDPF-HOCLYGCPSA-N 432.550 1.420 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2COCCO2)c1 1358901584 PMHIXFBHOJAVMM-LJQANCHMSA-N 434.500 1.755 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1358962804 XOAKQJGFMNLUML-HNNXBMFYSA-N 433.559 1.274 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1359028925 JJBVLUBYMMIOCB-ROUUACIJSA-N 437.548 1.884 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1359056831 MFBJTLRPVPWXCC-MRXNPFEDSA-N 442.593 1.519 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1359321111 AFRAXXAOAGBALN-ZWKOTPCHSA-N 447.561 1.520 30 10 IDEE C#CC[C@@]1(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1447200991 CENYVLCDTUGFTG-MBSDFSHPSA-N 430.501 2.000 30 10 IDEE CSc1nc(O)c(C(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1C#N 1462366987 QNFFLXQHIADFOI-AWEZNQCLSA-N 434.518 1.833 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1Br 1470192651 CMGDXKYAIVFOEZ-UHFFFAOYSA-N 428.308 1.336 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CCO1 1505322796 BIRFQSBDHPTKCV-GOSISDBHSA-N 449.481 1.934 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1507621208 PBCBECANXGFTCD-UHFFFAOYSA-N 430.559 1.682 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1507706546 MYNXUJWOKUIUNQ-UHFFFAOYSA-N 439.497 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1507723840 WHPLTMSRWQYOPC-PXNSSMCTSA-N 438.532 1.461 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1507729105 DVVXMROAEWKGIP-GOSISDBHSA-N 438.567 1.978 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507836249 CNYWYTZQZGTJCK-QHCPKHFHSA-N 446.596 1.641 30 10 IDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507983532 UYWRMWVIKZGWSG-UHFFFAOYSA-N 434.562 1.634 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@H](C3CCC3)C2)nnc1[C@]1(OCC)CCOC1 1508096663 BLXJZJDKUNSDAK-GCJKJVERSA-N 433.553 1.485 30 10 IDEE CCc1nc(C)c(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)o1 1513730160 PMAGCNYORQJJPV-IIBYNOLFSA-N 430.509 1.955 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1517659268 BKOMAZBBTIJFEB-QGZVFWFLSA-N 446.533 1.144 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1519613027 HMKFZMHDOGQHPV-LJQANCHMSA-N 444.496 1.122 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCOCC2)C1 1521062521 FCNCXTFDOVULLK-OAQYLSRUSA-N 448.449 1.871 30 10 IDEE CN1C[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1538029350 NPKYAQARZKXUIV-OAHLLOKOSA-N 425.449 1.155 30 10 IDEE C#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)nc1 1539199061 HLWNLPHKRKDHIU-MRXNPFEDSA-N 431.233 1.981 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1539391531 FEENITIJESQQRL-MRXNPFEDSA-N 433.509 1.047 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1539429543 AFWQVESWTHVSNN-WZONZLPQSA-N 445.539 1.804 30 10 IDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1539517612 PVZDPIFQFUORRY-INIZCTEOSA-N 437.566 1.790 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1539559171 XEHXRQLXPSCZMD-RTWAWAEBSA-N 432.521 1.550 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1539632486 SCQQRGAJHBRFHE-TXTZMMAHSA-N 440.566 1.011 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1539632985 WEKQGLBSVYGRNA-LQWHRVPQSA-N 447.580 1.885 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1539743949 AOJKJDIWTZZKQW-HKUYNNGSSA-N 433.553 1.844 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)on2)CC1 1539890228 KLYYPSKCWJIVII-QGZVFWFLSA-N 436.538 1.358 30 10 IDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539991585 ONQHREQGNWQHDV-UHFFFAOYSA-N 425.537 1.287 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1540877261 PBMULDYQYDWQPY-JKSUJKDBSA-N 431.566 1.772 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1540881624 OGERTNCXUFWFKS-HSZRJFAPSA-N 441.532 1.870 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCN(C)C2)C1 1540886294 ZMGATFWRZFBKBC-RXVVDRJESA-N 428.493 1.701 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1541044173 OLXVYTFBDPHEJC-UHFFFAOYSA-N 447.499 1.831 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)CC1 1542894511 AIIAWLQZRBBMTC-FQEVSTJZSA-N 444.532 1.398 30 10 IDEE CN1CCCC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1543889803 MBMGLFGXGGJPCT-LJQANCHMSA-N 432.546 1.428 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1547771012 DFHUYBQZGKZYKM-UHFFFAOYSA-N 443.577 1.784 30 10 IDEE CCOC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1547826168 CRAVXQVDKTWDBA-INIZCTEOSA-N 440.570 1.166 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)c1cc[nH]n1 1556470557 INCOULYQTKVOJL-CYBMUJFWSA-N 425.486 1.455 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1O[C@@H]1CC(=O)N1 1557102927 LGTQOZJOSOKTCF-LJQANCHMSA-N 428.470 1.369 30 10 IDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C1CCOCC1 1586729873 IAIARICHSRXGNH-HXUWFJFHSA-N 449.573 1.180 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCS(=O)(=O)NC 1587333602 GIFREQKOVKXZCD-UHFFFAOYSA-N 434.312 1.154 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)CC 1587579969 LTRKWTUAQXOKSW-CQSZACIVSA-N 436.534 1.864 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588065316 WTJBNTOSNPRYDY-HXUWFJFHSA-N 443.573 1.707 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1588638305 RLWCTCJLVALDRK-KSZLIROESA-N 432.569 1.203 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)CC1 1588811487 KLIZRUAUBICCNT-IBGZPJMESA-N 430.553 1.406 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1589069730 NBMFQVJBCKAEPP-JKSUJKDBSA-N 434.591 1.274 30 10 IDEE C=C(C)COCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1593768720 IKDIHJKGFUIGNZ-HSZRJFAPSA-N 449.596 1.824 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594812498 GVAQEZXDJQAMCP-IRXDYDNUSA-N 432.525 1.585 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1594962980 OJOAFJBLEYJBNR-OAHLLOKOSA-N 432.529 1.868 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)Br)C1 1595674583 QYDOLZUMAFCPTC-CHWSQXEVSA-N 434.360 1.578 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1610130331 JHDTWWVWFPABNY-UHFFFAOYSA-N 436.520 1.443 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1611817243 ZTXKRNKCZXDXOV-CVEARBPZSA-N 448.549 1.640 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)C1 1612938958 UKXVVYSVHUEHAW-FKQWUUPDSA-N 441.536 1.628 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1613594226 DNGYYLLBZFELKR-MGPUTAFESA-N 432.550 1.894 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1615775374 JNKUARHBQXKXHD-SYFGSMQSSA-N 443.552 1.575 30 10 IDEE CN1CCn2ncc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)c2S1(=O)=O 1618198811 XVUWWUVIPSTSKK-UHFFFAOYSA-N 434.909 1.005 30 10 IDEE COc1cccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1619374002 AHXDIPYHLHFLSE-JLSDUUJJSA-N 426.477 1.434 30 10 IDEE COCCN(C)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619878916 AYYJHLVYZUGMCK-UHFFFAOYSA-N 434.504 1.453 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC[C@H]1C 1620111432 URBUGCBYMWKCJN-WCIQWLHISA-N 432.569 1.995 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OCC 1622449201 NQEXYHYQVLOSGG-GFCCVEGCSA-N 439.715 1.901 30 10 IDEE Cc1ccc(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)cc1S(=O)(=O)NCC#N 1627591910 PVSSHHOHHXXMGC-UHFFFAOYSA-N 425.463 1.592 30 10 IDEE Cn1c(=O)c2cc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)sc2n(C)c1=O 1628900455 GJCSJAATFCPDNH-MRXNPFEDSA-N 441.488 1.460 30 10 IDEE COc1ccccc1[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 1632115384 LLRRFDXTAKKVOD-YWZLYKJASA-N 429.498 1.834 30 10 IDEE C=CCC1(O)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1634491950 IPWROCJREPGGSM-AWEZNQCLSA-N 443.363 1.999 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)s1 1636745021 KXRMKCVHHXJFRJ-HALDLXJZSA-N 441.575 1.736 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)c1 1639597303 SEJMCZMRRDWMEA-FQEVSTJZSA-N 446.550 1.600 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(CNC(=O)OC(C)(C)C)COC2)s1 1646046055 WKFJWIIWVWWRGN-UHFFFAOYSA-N 445.563 1.165 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1 1648716296 SDQOQPWOELRFCG-NRFANRHFSA-N 426.498 1.646 30 10 IDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccncc1 1654407196 BXMZARWVVXMFIL-GCJKJVERSA-N 441.557 1.920 30 10 IDEE CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1655770760 OWFJQRXRCXQNHX-SIKLNZKXSA-N 441.557 1.285 30 10 IDEE C=CCCSCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1683854227 ZCYSFBGVTBSCEP-SFHVURJKSA-N 434.610 1.860 30 10 IDEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1)C1CCOCC1 1687126324 KTZRNZFKEVKCLZ-QKBUSNMPSA-N 434.533 1.967 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1689873460 JSAXMGLKXJFGIM-UHFFFAOYSA-N 438.532 1.888 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1689999634 FIHQOCYOWXLWQD-JKSUJKDBSA-N 434.591 1.326 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2CCC(=O)N2)n1 1690109160 IMJDKXGBODPQBN-GOSISDBHSA-N 434.504 1.101 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOC(C)(C)C2)CC1 1690128775 JSHQRSKRGYFRIK-UHFFFAOYSA-N 443.621 1.500 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690316226 ASXUNSWCPBZQNS-MRXNPFEDSA-N 425.555 1.007 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cccnn2)CC1 1690664426 RWAIEFROHKASIH-UHFFFAOYSA-N 432.532 1.926 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 1690683153 CITYTWOGGXGYDU-IBGZPJMESA-N 447.561 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690715280 HIAJEJKHYXFHIR-MAUKXSAKSA-N 430.596 1.407 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705566026 LPAYJKVHNRWKMR-HCXYKTFWSA-N 436.578 1.698 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705566135 YTCQODXHFKSSGN-FQEVSTJZSA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1705566480 NTAWZVGOSJNNHB-DLBZAZTESA-N 447.561 1.706 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1705620938 LLOIEIWNDFLGKW-UHFFFAOYSA-N 448.568 1.903 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)Cc2ccccc2)CC1 1705631961 FIAUMTLQWQAJLA-UHFFFAOYSA-N 435.576 1.401 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnccc2OC)CC1 1705647376 CYBQEYKPZIEDPY-GOSISDBHSA-N 438.532 1.590 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1705659018 JBOAVITUHMVRAC-UHFFFAOYSA-N 428.562 1.746 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1705691197 BFIGLRWWXRNPMF-UHFFFAOYSA-N 425.331 1.414 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1705898029 ZAMGGTGXRDHUOO-SBUREZEXSA-N 441.532 1.940 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1C(C)(C)C 1705909226 QLQRSEDXNHRTNI-LJQANCHMSA-N 426.565 1.733 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1710564731 CVTDUMUKYXGFFR-VXKWHMMOSA-N 444.511 1.764 30 10 IDEE CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1711124349 QWGRYWSRPRVING-ZDUSSCGKSA-N 431.407 1.235 30 10 IDEE CO[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C(F)(F)F 1711534744 MLODOVUQHBIHNZ-KBPBESRZSA-N 435.472 1.888 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(CN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 1722363315 FMDHYMPOPVCATR-NRFANRHFSA-N 427.574 1.857 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1722425865 OTQVRAARNLOYNP-UHFFFAOYSA-N 443.511 1.978 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(O)CCN(C)C2)n1 1722427322 IKHAOQOVZYEACF-QFIPXVFZSA-N 429.569 1.125 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2OC)CC1 1722437682 VVLKBKBMZXTMHZ-ROUUACIJSA-N 438.532 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(CC)C2CC2)CC1 1722447691 MGCMDAQKVZPDTE-FQEVSTJZSA-N 428.581 1.970 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722495362 GXKAAVPKZJUHBA-RYRKJORJSA-N 446.939 1.926 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1722509516 PPDQQWJEFKSUPZ-SBHAEUEKSA-N 446.596 1.759 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCCCO)C1CC1 1722510881 XNFOFEXXZSUSKA-LNLFQRSKSA-N 438.594 1.903 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1722640846 SJDAVVJODLTHFC-INIZCTEOSA-N 435.554 1.130 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722731866 NCCRJTJJBZNWFW-KRWDZBQOSA-N 447.561 1.653 30 10 IDEE CC(C)(C)c1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1722912429 RTYLDOLZUNSZPA-VHEBQXMUSA-N 427.553 1.634 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2CCS(=O)(=O)CC2)CCOC1 1723662181 BNMPVQXEEQPRON-UZLBHIALSA-N 439.582 1.882 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C1CCC1 1727231076 LSLBJPQZYVTNOF-QGZVFWFLSA-N 431.541 1.232 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1728602212 GPDNEVUATARXMA-KRWDZBQOSA-N 438.580 1.962 30 10 IDEE CCOCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OCC)CCOC1 1729139639 WEXLADKGNLKWNF-QFIPXVFZSA-N 442.520 1.892 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1729794811 ZHPVSFIJAGSFQL-KRWDZBQOSA-N 437.504 1.620 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740578018 WYONMKPDFFGCAT-KRWDZBQOSA-N 444.561 1.414 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740624756 AKHVISVIMNUMAX-QZTJIDSGSA-N 436.578 1.963 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740796169 QULYQUHRVFADCI-GOSISDBHSA-N 436.582 1.746 30 10 IDEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(N)=O)C1 1740861465 NXRQBJPNFSAHHY-HNNXBMFYSA-N 431.566 1.906 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740961461 DDHDZEOXEYRMOI-OAHLLOKOSA-N 446.577 1.710 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1740971677 SPAZWYBGDQFBGE-HSZRJFAPSA-N 441.532 1.822 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1741517635 JIFGTBHJAUOSTK-SFHVURJKSA-N 438.598 1.974 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCNS(C)(=O)=O)C1 1741987616 GKNPSQVEKQWWCA-LJQANCHMSA-N 436.513 1.675 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1741991705 HESNWFKLDLNSNR-FQEVSTJZSA-N 434.447 1.712 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC1 1748352920 GFACWNGKKSDPIZ-UHFFFAOYSA-N 444.492 1.016 30 10 IDEE CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CCOC1 1748491951 QHLDRZFPNYTOKM-SELNLUPBSA-N 438.532 1.965 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748817052 DAKNBVRFPJFJQZ-CEXWTWQISA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748820478 CLNGBAVPBKKJAV-GOSISDBHSA-N 444.557 1.707 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCOCC1 1748831705 URURVXFSDWKVTC-UHFFFAOYSA-N 437.500 1.284 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1748867238 DECJXOTUXWTMEB-HSZRJFAPSA-N 436.516 1.324 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(O)CCOCC2)CC1 1748976797 ANMBXFIZDXTRLF-SFHVURJKSA-N 443.523 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nnc(C)s2)CC1 1749009156 FSPVAXRIUSNFOR-QGZVFWFLSA-N 443.577 1.541 30 10 IDEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749406961 QUSLLBDLKFWTAT-SFHVURJKSA-N 438.532 1.669 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1749650514 ABHHEZUYDUPPCF-HOTGVXAUSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CCC(N)=O)CC1 1749659654 HIBHNNBJCXRWDD-UHFFFAOYSA-N 440.504 1.458 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1749816829 GSPRCBVPDRWGCD-GOSISDBHSA-N 425.541 1.085 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCC(O)CC2)CCOC1 1751006220 FFMZBNJOBKCPLN-PGRDOPGGSA-N 434.585 1.904 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(OCC(N)=O)c1 1751929684 QPAZTICPQIIEJB-UHFFFAOYSA-N 432.488 1.092 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760188712 LYAIVEZJDPJAMK-MRXNPFEDSA-N 443.533 1.235 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CN(C)CC)c2)CC1 1760257732 GVVJFEFWDSDSML-UHFFFAOYSA-N 432.576 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccoc2)CC1 1760265074 MZHVKSBQUQCQNI-UHFFFAOYSA-N 426.521 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2c(CC)nn(C)c2OC)CC1 1760270119 LMJJOPFVUSBBBM-UHFFFAOYSA-N 441.580 1.795 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760273758 AYCIETZSHRMESC-XHSDSOJGSA-N 428.628 1.174 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1760419437 RSGLMZSVJJWFEN-IRXDYDNUSA-N 444.623 1.798 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760428539 YHIYKHYVVQVLOJ-RTBURBONSA-N 437.610 1.695 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760449739 STLLWUNFQVHKCA-ROUUACIJSA-N 428.541 1.872 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760453071 XGWUZKWWOUXGEP-AVRDEDQJSA-N 433.553 1.768 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760550560 BFMFHGMEXKERGP-OAHLLOKOSA-N 433.534 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC[C@H]1C 1760552885 DVLOKNIFVGZOAX-OAHLLOKOSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(C(C)C)CC1 1760556426 DBVDCPFVJXNEMJ-UHFFFAOYSA-N 432.594 1.785 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1760688257 DTTHBCZTKBILFR-CABCVRRESA-N 443.537 1.113 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnnn1CC1CC1 1762239092 AUKCQPICBJBJPO-IBGZPJMESA-N 430.492 1.083 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1763580655 FQBJFPSVHUNCGI-YZGWKJHDSA-N 427.505 1.884 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC[C@@H]1C 1769084121 BXNUWECPWGEFEC-JXFKEZNVSA-N 436.520 1.852 30 10 IDEE COC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1769251308 CXZXHEFBXKRTFJ-OALUTQOASA-N 426.521 1.642 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1Cc1nncn1C 1769818912 FNFPWDMRAZTEOA-UHFFFAOYSA-N 443.515 1.965 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCN2CCCCCC2)cc1 1771534472 CCILSTAZNJCNJC-UHFFFAOYSA-N 437.548 1.931 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1850075063 KEUHPZCIPDJYAY-GOSISDBHSA-N 431.562 1.490 30 10 IDEE C#CCCN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2cc(C)ccc2C)CC1 1851082522 RLHUIVUJVOTKOX-IBGZPJMESA-N 437.631 1.871 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 1851151081 WFHWYRZTQYSUJC-LJQANCHMSA-N 437.452 1.826 30 10 IDEE Cn1cc2c(n1)CCN(C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1)C2 1852263510 LYXZEEWFGVTMKR-JOCHJYFZSA-N 449.536 1.766 30 10 IDEE CC(C)[C@@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1852291489 PNBOCUHUGNIATB-IBGZPJMESA-N 433.578 1.041 30 10 IDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1C 1854488814 YRVXEHXGEDOXDN-UHFFFAOYSA-N 433.530 1.909 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN(C[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1855043374 CQKDGPQDJIOVOJ-PXNSSMCTSA-N 429.542 1.694 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1855104175 DLNDKLNFPAEWSB-IEBWSBKVSA-N 429.542 1.912 30 10 IDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1=O 1855342017 JWTGNDGEDAKYEQ-QGZVFWFLSA-N 426.498 1.924 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CCC#N)C(C)(C)C2=O)c1 1855928299 HUOJXIIOJVHSQE-SFHVURJKSA-N 432.546 1.511 30 10 IDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1)CC2 1857212161 HRAZHBNWEFKMCV-JKSUJKDBSA-N 433.505 1.600 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(F)cc1 1874433067 BOSBEADVADZHEF-NUGSKGIGSA-N 430.465 1.937 30 10 IDEE C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890239157 NCDPOBXYGRBVJH-LJQANCHMSA-N 443.544 1.441 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)=C[C@H]1O 2014562761 GRMOSMFMGMEMMJ-XUVXKRRUSA-N 426.517 1.807 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124537389 XSHQBKZSKUBWQM-ZWKOTPCHSA-N 446.353 1.972 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128722108 SKIRAXGCPHXKEQ-MRXNPFEDSA-N 447.341 1.371 30 10 IDEE CN(C(=O)OC(C)(C)C)C1CC(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248439627 AWKWMVVSMWGRPR-UHFFFAOYSA-N 438.359 1.843 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C 2255620313 BDUGECJYUZEAGV-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2255657667 SIUOUULYBRAFPD-UONOGXRCSA-N 434.346 1.847 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255697688 KGGSMHBTRGSAKY-MRXNPFEDSA-N 435.330 1.338 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2255818956 STNGGGSJMWJXKQ-OAQYLSRUSA-N 436.314 1.992 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H](O)C1 2255849856 DDLINMXLXNRHSY-CQSZACIVSA-N 436.314 1.633 30 10 IDEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267010237 RTPSLBYHSFPJOX-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267266937 GZFYOOUCWQGUJJ-GJZGRUSLSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268638495 UACPHESUXHMZGB-UHFFFAOYSA-N 446.357 1.776 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2315533217 LOKWYGKPNKCQRX-WDNDVIMCSA-N 432.330 1.314 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)C=Cc2ccc(F)cc2)C1 2328071904 PNIJJMZWOJMLCH-FXAWDEMLSA-N 435.455 1.941 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2337205587 YJZVOVCRNPRHLT-ZIAGYGMSSA-N 446.357 1.657 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2337293616 FGAPILCNCUFCOH-LSDHHAIUSA-N 446.357 1.943 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371197965 WPZNLJDGDZLNJB-WIYYLYMNSA-N 436.530 1.918 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)cc1OC 21324521 UULNONYAZXVTHK-FSJBWODESA-N 442.505 1.971 30 10 IDEE CC(C)c1noc(CCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 110228164 CZVPEYGKCLCWAI-UHFFFAOYSA-N 446.533 1.713 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 427988549 DSXIZJYXRLHZLQ-CQSZACIVSA-N 428.518 1.174 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 492395667 NCHUTZMAWXAKOT-XMSQKQJNSA-N 446.548 1.163 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 506272590 REPIPMVJIABXED-SFHVURJKSA-N 432.952 1.639 30 10 IDEE C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508907587 NOXLRYVYWDVFQC-UHFFFAOYSA-N 436.494 1.420 30 10 IDEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508931107 NUQHLCSRXQHKFF-CQSZACIVSA-N 426.456 1.714 30 10 IDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)cn1 513286396 KLLHODKIERMYHZ-UHFFFAOYSA-N 431.493 1.432 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 525467064 VLQTZIDNFVLBNG-FQEVSTJZSA-N 445.545 1.665 30 10 IDEE C=CCn1c(Cc2noc(CCc3cccc(C(=O)NC)c3)n2)nnc1N1CCOCC1 547058112 XMAPQPRKDOWYSD-UHFFFAOYSA-N 437.504 1.419 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO2)CC1 549857604 YZIYJAHXLIXGPM-GOSISDBHSA-N 436.520 1.286 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)cn1 560427396 WZWHANXKUWEDPV-UHFFFAOYSA-N 435.509 1.217 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cn1 567524708 CGKPFFZYJYLAJW-QGZVFWFLSA-N 431.456 1.940 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(OC)ncn2)CC1 574295319 LSRJFFVACGBFPC-UHFFFAOYSA-N 428.541 1.898 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)cc1 577310508 XSPGTCMUDIUSCW-UHFFFAOYSA-N 440.525 1.505 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCC(=O)NC23CCC3)nn(-c2ccc(F)cc2)c1N 583825175 FIPBHMNIFWOVFU-GOSISDBHSA-N 439.495 1.898 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc(-n3cnnn3)c(C)c2)nc1C 586323145 KRDQUCKLICHNHW-UHFFFAOYSA-N 442.457 1.874 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)CC2)nc1 587653030 BKPUYXWZYVNECM-CUWPLCDZSA-N 436.560 1.371 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@H]1CCCO1 590915617 NZHXUCWQDXCMIX-OAHLLOKOSA-N 443.500 1.042 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(CC)cc1 730137663 GTDLFVUVRAGSQB-QAPCUYQASA-N 447.605 1.773 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730140237 FAXYJBAVPVLFPB-INIZCTEOSA-N 439.969 1.476 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c(C)c1 730143839 WUHXITSXCRQNQK-SFHVURJKSA-N 445.589 1.581 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)(F)F)cn1 730144213 IFFWVPZQVWIBQQ-LBPRGKRZSA-N 433.456 1.652 30 10 IDEE N#C[C@@H]1CN(C(=O)c2cc(I)ccc2-n2cnnn2)CCN1C1CC1 732648409 UOCXVGBIPINMRM-CYBMUJFWSA-N 449.256 1.079 30 10 IDEE CCc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 732650656 AYUNZLYQDKSPCT-LJQANCHMSA-N 432.546 1.082 30 10 IDEE N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCN1C1CC1 732665236 WPINZYNVODETJV-HNNXBMFYSA-N 441.351 1.316 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CCN1C1CC1 732706093 FEECUSONSYRVAX-KRWDZBQOSA-N 430.530 1.540 30 10 IDEE COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 740455036 KQGCZVCVJGTKFP-OAHLLOKOSA-N 435.550 1.976 30 10 IDEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N(CCC#N)c1ccc(F)cc1 741341439 BVEMXILSUITVIS-SXZOAGKDSA-N 428.420 1.921 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccnn1CC1CCCCC1 745099997 LFYNUFHQWSPFHJ-QZQOTICOSA-N 429.477 1.862 30 10 IDEE N#Cc1cc(COC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)ccn1 746990376 POXWQTFRFRNTKS-UHFFFAOYSA-N 431.470 1.916 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cn1 766425288 YOMKRYLDBXAKBZ-MRXNPFEDSA-N 443.533 1.080 30 10 IDEE CCc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771537582 ASUJZPJAWRCFAE-MRXNPFEDSA-N 427.534 1.615 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C(=O)OC)C3CC3)nnc12 771853652 IPDOVDTVOVBZKX-MRXNPFEDSA-N 428.470 1.817 30 10 IDEE N#CCOc1ccc(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 776042780 UTKCIAUYFYVXPD-LEWJYISDSA-N 433.512 1.987 30 10 IDEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)cc2OC)c1=O 781659882 AYRIYDYKRVCUAJ-UHFFFAOYSA-N 434.315 1.744 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2ccn(C)n2)cn1 783007476 UYZBWHVYSYKGHH-ZDUSSCGKSA-N 443.455 1.837 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)n1 788820183 SGDGKWDCFFCYST-UHFFFAOYSA-N 430.530 1.653 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790741144 KHRSTOJQCKEPMO-TZMCWYRMSA-N 425.580 1.272 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=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)c1 800397406 RQJXAIZVBVVYCJ-LUVQCTBMSA-N 433.283 1.453 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811230685 VEPDWXXRYIJWSR-WMLDXEAASA-N 436.534 1.598 30 10 IDEE C[C@@H](F)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 814709191 URYNWPLUGDHLKU-CJNGLKHVSA-N 437.541 1.533 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)c2C)nn1 916178169 NAGSNGHPEXKNLX-UHFFFAOYSA-N 426.458 1.501 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 1125187489 PIBXKIVUZUHGEW-MRXNPFEDSA-N 442.516 1.533 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cn(C)nc2I)n1 1128672181 HTLACYRSALPMLB-UHFFFAOYSA-N 427.246 1.143 30 10 IDEE N#Cc1ccccc1COc1ccc(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)cc1 1132753797 QKLZBHVBNUSCSW-UHFFFAOYSA-N 427.482 1.300 30 10 IDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C(=O)OC(C)(C)C 1135541669 LGFUYSCCTYYCMW-UHFFFAOYSA-N 434.518 1.966 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1136583466 WGBRDCNTTVTYHI-HTAPYJJXSA-N 429.521 1.799 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N[C@@H](C#N)CO)cc2)cc1C 1140739090 BDUXZKSFZOIMTR-SJORKVTESA-N 431.514 1.897 30 10 IDEE C#C[C@@H](NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1 1161505815 QPFMQZBOHZUVKR-HXUWFJFHSA-N 427.526 1.938 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 1170961436 CGAHVNFCFLIARJ-UHFFFAOYSA-N 437.504 1.185 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)OC)s1 1171270695 KBYWPHYILSZSNF-DZGCQCFKSA-N 430.548 1.229 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286321192 LAWDDIUWHWJJFC-RXVVDRJESA-N 438.580 1.471 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCn2cnnn2)CC1 1286484509 LRAPXZDVGPGVDD-UHFFFAOYSA-N 435.536 1.306 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCCN2CCC[C@H]2CO)CC1 1286486610 PESCNCQUTPFSQC-FQEVSTJZSA-N 430.597 1.604 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286566219 MQRGIEDXIPNNHC-ZJOUEHCJSA-N 446.596 1.539 30 10 IDEE CC1=CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1290247085 UDINAGYGOHWTPG-FMQUCBEESA-N 425.493 1.083 30 10 IDEE CNC(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1299257956 ACWKNNPZBANYAC-UHFFFAOYSA-N 444.543 1.793 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1300402980 GOIBAZZKXVHMPX-UHFFFAOYSA-N 433.516 1.710 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCS(=O)(=O)CC1 1300665203 JGKOCSPODBCATQ-UHFFFAOYSA-N 446.529 1.585 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)CC1 1300720026 ZKRTXEBZBGYOCU-HKBQPEDESA-N 441.561 1.002 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(C)CN(C)C1=O 1301806478 IHTQOPWVGCYIRQ-HSZRJFAPSA-N 448.531 1.976 30 10 IDEE CC(=O)NCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1301924009 FBOGHOLOMUYNQZ-CQSZACIVSA-N 432.554 1.360 30 10 IDEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1302505112 GDNYDQDJRIGMFP-ADSBAMQRSA-N 427.534 1.967 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCCO3)n1CC(=O)NCC(F)F)C2 1302990343 ZTLYHZFXWPAQFH-OAHLLOKOSA-N 447.446 1.436 30 10 IDEE CCOC(=O)C1([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCOCC1 1308122447 URAAGDMBUYHIBA-ROUUACIJSA-N 448.589 1.795 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1315903823 BZFALDPNTZKBQO-MSOLQXFVSA-N 444.561 1.571 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1=O 1316140140 HMLBVXIEBUBXIM-UHFFFAOYSA-N 442.520 1.185 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1316223984 GZNZNEDTERBNGX-DYESRHJHSA-N 428.468 1.745 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1316297709 MJWULTUVFOPAFZ-OGNFBWPZSA-N 436.582 1.168 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316537706 DWKNTPZWPILDSI-MSOLQXFVSA-N 445.955 1.959 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CC2(n3cnnn3)CCOCC2)c1 1354285984 MOIODPAMFFSTHW-XLNRJJMWSA-N 447.521 1.020 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358895581 MAXLUAOXJFOHBY-NVXWUHKLSA-N 426.496 1.342 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358962942 ZLXVUNZVFBRIMR-PBHICJAKSA-N 449.483 1.182 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1358985171 RILZOBPOTSXWMP-INIZCTEOSA-N 445.545 1.417 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359062652 OQJVTFLOTSUDCT-SJLPKXTDSA-N 438.561 1.873 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](OC)C(F)(F)F 1359063987 INXBWGQERHGYDJ-XJKCOSOUSA-N 437.488 1.848 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1359165535 RBPONRDBCIFCQF-QGZVFWFLSA-N 441.623 1.707 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359207981 CABIDZZJFHSOFW-DNVCBOLYSA-N 437.570 1.340 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359224027 DHELYLKQEHYYEQ-UHFFFAOYSA-N 437.548 1.620 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1359304405 XHTDOMMRVNXJPL-UHFFFAOYSA-N 445.483 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1359334526 IXFXGKRJTKGGCE-GOSISDBHSA-N 445.589 1.721 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1359347340 JEPOTRDHPYQLNZ-RDJZCZTQSA-N 444.623 1.935 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1359754586 HZSNSHAWOGNCCY-SFHVURJKSA-N 433.534 1.635 30 10 IDEE C#CCN(C)CCCNC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1450481507 BSFWTUSKWGZHFC-UHFFFAOYSA-N 425.860 1.708 30 10 IDEE C#CC1(O)CN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(OCC)cc3)cc2)C1 1456810382 QFNCOCRMJWPZJH-UHFFFAOYSA-N 444.509 1.496 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1 1465398599 DNVBXRYSKAVHBN-SFHVURJKSA-N 436.534 1.283 30 10 IDEE CON(C)S(=O)(=O)c1cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1Cl 1465543074 XRRSNFVIXWOSAO-MSUUIHNZSA-N 442.881 1.377 30 10 IDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(C)C 1471998081 ORQKAHMRGMFFIQ-UHFFFAOYSA-N 435.546 1.179 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1475658609 UDEWEXXGIGULBF-ROUUACIJSA-N 435.546 1.994 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1503398653 BIKGFZHHFALMII-PGRDOPGGSA-N 441.511 1.660 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1507602497 BDOQXVURORAJLM-LBPRGKRZSA-N 434.298 1.104 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(N2CCCC2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507621817 CTJWNNJOJUBBJY-LJQANCHMSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632774 PNABOPCJXFILCA-WJFTUGDTSA-N 436.578 1.614 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1507654000 ULFBWLDRXKBXTK-AWEZNQCLSA-N 433.456 1.026 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1507715549 CVJGUAAKNRSCQJ-MOPGFXCFSA-N 437.548 1.886 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cn2)CC1 1507721200 ZNTBKQFYKBLQOK-JOCHJYFZSA-N 428.512 1.656 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCn2cc(Cl)cn2)CC1 1507741211 NANCYDMINASIMP-QGZVFWFLSA-N 431.928 1.646 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507865390 BIZZUGVUDVWPEH-IBGZPJMESA-N 449.003 1.662 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3ccnn3)o2)cc1 1516310206 ULHZNIKEPMFFLX-RELWKKBWSA-N 428.474 1.985 30 10 IDEE CCOCc1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516554495 VEJPKUGUVWNHPR-QBEKEKFNSA-N 443.552 1.406 30 10 IDEE COCC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1518665894 BRVKNTVKHJVYQY-UHFFFAOYSA-N 435.488 1.508 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1539149191 QNPFGKRHCQCQCH-OAHLLOKOSA-N 447.561 1.707 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1539210355 BXFMWEILVFYOER-HNNXBMFYSA-N 435.937 1.657 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 1539436204 NKJZPZCVWVMYMI-UHFFFAOYSA-N 440.939 1.528 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539751012 FQAIJPZBFGPJCN-MSOLQXFVSA-N 432.569 1.164 30 10 IDEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540007441 OIJRWQNSBFCPRW-UHFFFAOYSA-N 440.523 1.901 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540071763 HTBYTAGADBQTEG-UONOGXRCSA-N 437.488 1.066 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCCC2)CC1 1540874881 UXRJCKMXFXWXGK-UHFFFAOYSA-N 426.569 1.507 30 10 IDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1548236165 ZWCCFXXDIALGQM-HXUWFJFHSA-N 426.521 1.975 30 10 IDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCOC 1548371035 CSDQCZJDSFFFKG-QGZVFWFLSA-N 442.438 1.393 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554308342 RYIARPWCEVLCDC-HMWBCQRISA-N 445.524 1.007 30 10 IDEE COCCN(C)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555529650 ODJYGXCVXXBTJZ-UHFFFAOYSA-N 448.531 1.377 30 10 IDEE COCCN(C)CCN1C[C@H](NC(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1=O 1570028844 IBGTUYGQRXJBNB-OAHLLOKOSA-N 431.562 1.461 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)Cc1ccccc1 1587550757 QXVUCJSUDXOBCT-KRWDZBQOSA-N 431.562 1.879 30 10 IDEE C#CCCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1587794071 ZWWOSWSEWXCRAQ-QPPBQGQZSA-N 444.624 1.950 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1588084103 MLUJQDHCYGIMLW-QAPCUYQASA-N 433.509 1.488 30 10 IDEE Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1588148323 HYLBOJWCNGBFHE-OIISXLGYSA-N 429.477 1.849 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 1588199772 ZMUJGZZNGZYQEW-INIZCTEOSA-N 445.328 1.098 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1595884061 GSIHOYQJMCWOEB-QAPCUYQASA-N 428.580 1.095 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)cc1Br 1612045448 KRLTWPYFDOPZBA-CQSZACIVSA-N 433.310 1.833 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1618626269 UEFUJWPFWJWWPG-OHTQGHCMSA-N 429.525 1.064 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 1619317413 FSBYWNHZRMZVNE-NQERJWCQSA-N 431.468 1.848 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)O 1620019160 KSSRBFFJOLUTIZ-MRXNPFEDSA-N 429.525 1.366 30 10 IDEE CS(=O)(=O)CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1620160481 GPUJQVMWMBQSGG-UHFFFAOYSA-N 445.549 1.880 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3ccccc3OC)c2)CC1 1623059887 MNJZIAYLAMDMIV-UHFFFAOYSA-N 428.514 1.979 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C(F)(F)F)ncn3)CC2)cc1 1625121385 QMDZHOVESGZCHK-UHFFFAOYSA-N 425.392 1.514 30 10 IDEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1627751984 KKXXPSWBURLLDF-JKSUJKDBSA-N 425.526 1.764 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1629090896 QPUZCSLHBSJFIH-INIZCTEOSA-N 426.853 1.769 30 10 IDEE N#C[C@@H]1COCCN1C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1633529029 AQZLUBDGGFZKTI-QVKFZJNVSA-N 448.479 1.520 30 10 IDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1634595616 GEXCCGQSHVOZQG-KRWDZBQOSA-N 436.534 1.598 30 10 IDEE C#CCC1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 1635117723 ZUVSUYLBBZWDBV-UHFFFAOYSA-N 436.530 1.595 30 10 IDEE N#Cc1cncc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 1635325810 JJGXKAKUYKNBBI-INIZCTEOSA-N 426.454 1.207 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)c1 1637748361 DOLWJOVOTOMKJL-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1638655995 GUWJEMISWUPXCE-UYAOXDASSA-N 436.574 1.864 30 10 IDEE C#CC[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C)C(=O)OC 1638826539 LJCYLVRVHZBJDR-MRXNPFEDSA-N 448.545 1.218 30 10 IDEE CNC(=O)[C@H](CNC(=O)COc1ccc(C#N)cc1OC)Cc1ccc(OC)c(F)c1 1639930200 QVLWWCRIYLXAPF-INIZCTEOSA-N 429.448 1.814 30 10 IDEE N#CCCN(C(=O)CCC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1 1641478839 QFWXEZPNQNNUHY-QGZVFWFLSA-N 432.488 1.546 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1641931792 ZOODAZKWJVDGQL-OAHLLOKOSA-N 428.514 1.632 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1642543261 NTBUKIMZTNAZGK-HSZRJFAPSA-N 433.468 1.657 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](CC#N)C(F)(F)F 1645009871 INJVNVIQVSXJLZ-OLZOCXBDSA-N 439.843 1.834 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1649680207 BBFRSRBRHXKUNC-IBGZPJMESA-N 449.508 1.885 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 1676705176 PFAPTYLIPOJRJQ-UHFFFAOYSA-N 427.530 1.929 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689988572 RUANKTDPGAMSJJ-OALUTQOASA-N 442.589 1.760 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1690033089 PVRLNHOGKFGTNI-SFHVURJKSA-N 448.593 1.144 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCN1CC 1690092678 RERXZXRHLWPABU-SFHVURJKSA-N 425.537 1.886 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(C)ccc2OC)CC1 1690130375 FMPDPGPDUOBFRH-UHFFFAOYSA-N 436.560 1.715 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1690153977 GCYGZDIZSBINNC-WCAVRKLYSA-N 429.565 1.722 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1nncn1C 1690183294 SLBJRZXWQKQBBQ-QGZVFWFLSA-N 425.566 1.976 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690246104 QTTMNVBDGUGFHB-DYXWJJEUSA-N 446.596 1.410 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1690320067 ISBNRQRJOAQYKD-XQBPLPMBSA-N 436.553 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1690662636 BVMJJLUHBATTIC-LLVKDONJSA-N 437.323 1.800 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690666774 GFCUFZVOILJYJR-KRWDZBQOSA-N 435.532 1.812 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](CNC(C)=O)C1 1690667003 NPUQIZMLLIIFMG-OAHLLOKOSA-N 432.912 1.242 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]3OCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690676786 DMKLFABIWUSIBU-FGSXEWAUSA-N 433.553 1.626 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)N(C)C)C1 1690691949 OAKHDLRKNTXSRM-GOSISDBHSA-N 437.508 1.180 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@H]1COCCO1 1692767859 ZDNNIVSYEFGUSX-QAPCUYQASA-N 448.549 1.202 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN(C)CCCOC 1694781276 PDJMSTAYZYMVQR-LJQANCHMSA-N 425.537 1.500 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1696051513 DWKMJGJPEDBGFB-LEWJYISDSA-N 436.532 1.483 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C(C)=O)CC1 1705489123 KEEUOTOQVSSQOF-IBGZPJMESA-N 446.559 1.753 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1705549936 NPZAVPZNGGVTCU-HSZRJFAPSA-N 436.516 1.940 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCC(C)CC2)CC1 1705639493 PHANFGZUBXUMAM-GSVIPDFHSA-N 449.621 1.531 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC)CC1 1705640319 NCWCKRMFADDCOM-SFHVURJKSA-N 448.568 1.378 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@H]2C1 1705694260 PYOSREMKMGZMHN-XHSDSOJGSA-N 442.358 1.432 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1705749761 HKVDHQSMKDECBO-UHFFFAOYSA-N 439.969 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705934804 YCIHBQCHLHIDGA-UHFFFAOYSA-N 447.536 1.858 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCCCO)CC1 1706003358 WRFMSQVOPXJNEK-UHFFFAOYSA-N 439.564 1.580 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1706621953 JSBAXPWALLDDCS-UHFFFAOYSA-N 427.509 1.230 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1706747938 DKXYANOUZOSLNN-NVXWUHKLSA-N 430.534 1.832 30 10 IDEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1708908436 FEAZJDSSQISAIV-FQEVSTJZSA-N 447.536 1.889 30 10 IDEE COCCOC1(Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1712576894 DVFWKDZOFFHVEI-HXUWFJFHSA-N 430.484 1.994 30 10 IDEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1712718035 GBWXUGQAULEPRA-INIZCTEOSA-N 439.545 1.105 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1722293896 DYJFMPAUBMUPJV-YTQUADARSA-N 447.561 1.457 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1722345685 QTIFAEURBKMURX-HKUYNNGSSA-N 430.578 1.622 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1722350913 DWCNSAXOTJPHDP-HNNXBMFYSA-N 440.570 1.011 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722360227 FLKJECQGNJDUJH-HNNXBMFYSA-N 428.543 1.780 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722366656 ITUWPAICNKHVSS-OALUTQOASA-N 441.557 1.407 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1C 1722383032 MLLBQGIUSFTTOQ-UHFFFAOYSA-N 429.532 1.615 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2n[nH]c(C)n2)CC1 1722442564 VMHRWMBMUWEYFG-UHFFFAOYSA-N 434.548 1.898 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1 1722491647 MSZOECUVAPSDMU-JZXOWHBKSA-N 439.520 1.608 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2c[nH]nc2C)CC1 1722566146 KRLDSEYIYUNSNO-SFHVURJKSA-N 449.581 1.432 30 10 IDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1722651381 KEVIHCWUZJTXFF-MRCUWXFGSA-N 436.520 1.821 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1 1722728522 QZURLYNDQBDTAX-MRXNPFEDSA-N 430.596 1.407 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CCC(F)F)n1CCN/C(O)=C1/N=CC=CC1=O 1723573304 QDXWBIOEBADOAX-PEZBUJJGSA-N 425.440 1.034 30 10 IDEE Cc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1724303127 SNNBSKBZMHMICQ-HGENEIFLSA-N 439.476 1.040 30 10 IDEE CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1 1729736547 CXFBZJBQGOBNKC-IBGZPJMESA-N 449.512 1.138 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1(C)C 1730383007 BCVDBVCQRWQYBP-SFHVURJKSA-N 447.561 1.739 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1730872152 CGNWDLDENYFHQR-PKOBYXMFSA-N 441.536 1.774 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1740573710 GYOHVHZDMRKDHJ-INIZCTEOSA-N 441.623 1.746 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCN1CCCO 1740650609 HILVDQGBOMJNNF-FQEVSTJZSA-N 435.528 1.984 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCCC1 1740668037 ZXXIHPLGVBTIKJ-UHFFFAOYSA-N 443.577 1.743 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1740671208 BAVGPCMFGNRYPX-LJQANCHMSA-N 447.561 1.518 30 10 IDEE C#CCSCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723608 TVRXLRDKAKYFTF-LPHOPBHVSA-N 442.607 1.308 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740786800 OUSINTSBNBJMBX-IBGZPJMESA-N 443.552 1.517 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)=O)CC1 1740807542 DYGPDNNFDVAMES-UHFFFAOYSA-N 427.900 1.732 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740840276 YYELUSDRWMFQPU-JOCHJYFZSA-N 446.573 1.830 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740862056 IUWGHPNMEBPPPJ-KRWDZBQOSA-N 428.541 1.989 30 10 IDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740885844 PCVPJTBEVKXNES-UHFFFAOYSA-N 430.553 1.409 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 1740886747 QXYWUCVOSKQIGK-UHFFFAOYSA-N 432.569 1.294 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1740925846 OXYSXBCSPULHKD-KKSFZXQISA-N 431.562 1.901 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(N)=O)C1 1740971815 XQYWEARAZZHCCZ-GOSISDBHSA-N 438.532 1.715 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1745954384 UQCIKBKPYMFEPM-GOSISDBHSA-N 433.534 1.229 30 10 IDEE CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1745969299 QGYPDCFVMZBMIJ-UDJKBAMHSA-N 427.509 1.525 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1748757537 FYTWUNFZGJIASB-QFIPXVFZSA-N 433.560 1.785 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1748791492 UCLXSFNFOXTOPY-SFHVURJKSA-N 428.562 1.683 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1748819079 KFPCZOASDCVBFG-QZTJIDSGSA-N 431.587 1.786 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1748855935 MMUAZEBZLVYSPU-UHFFFAOYSA-N 437.525 1.626 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCSC1 1748888606 ZNCJTZIPHOKBEG-JOCHJYFZSA-N 434.525 1.925 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1748906567 WCUXHOHSSRISJS-OAHLLOKOSA-N 442.586 1.605 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1748948806 WVKMPFUBDPZTOP-SFHVURJKSA-N 439.520 1.270 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1749368163 CJWODPUEPBWKGW-SJORKVTESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749657709 BJGBXCHZNMGOJB-HUUCEWRRSA-N 430.534 1.377 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1749755064 DAEZOVUDAKJUFJ-MRXNPFEDSA-N 441.623 1.404 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCn2cccn2)cc1 1750384566 FFVJAKGYHUSPKF-UHFFFAOYSA-N 441.517 1.250 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cc(C)nn2C)c1 1760126401 XPGXKNRRKUIPQT-UHFFFAOYSA-N 443.515 1.825 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1760163241 PUSAGGPUMJAJBC-IEBWSBKVSA-N 430.578 1.795 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760189797 LUTBXOCWUVBNLI-IBGZPJMESA-N 429.546 1.317 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1760227397 DEJMEQHVSPNNFD-QFIPXVFZSA-N 429.496 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCC(O)CC2)CC1 1760265774 JBCIKOYSATWDFX-GOSISDBHSA-N 430.597 1.604 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760280776 MKEWXYWZBUCGPS-SFHVURJKSA-N 444.605 1.825 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760356844 YCCZEQOJBXVLHJ-QGZVFWFLSA-N 427.571 1.630 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760452118 FJFACNCQXREHOG-INIZCTEOSA-N 425.555 1.007 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1760461340 PJIDARCNHLUSNJ-UHFFFAOYSA-N 445.549 1.189 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)C(=O)NC 1760519853 RRNCWDHRMCXMQJ-ZDUSSCGKSA-N 449.353 1.828 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760525894 VRTDGRFINAPIOX-IBGZPJMESA-N 437.548 1.309 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1760527979 OOBCHHISBHFUMI-MRXNPFEDSA-N 443.504 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760552694 YAKQDFQPFMDPEY-SJORKVTESA-N 448.501 1.669 30 10 IDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1760567766 MKLGOXZRDUBBFB-UHFFFAOYSA-N 432.575 1.671 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C1CC1 1761497345 DOEKTMLJSNLODA-ZDUSSCGKSA-N 433.513 1.561 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)C1 1761542136 CGVSWDBDGSTNHT-HTAPYJJXSA-N 439.495 1.928 30 10 IDEE CN(c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1766958986 YCIRCDLGSGIVIA-RMYFCYLKSA-N 443.895 1.745 30 10 IDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1)S(C)(=O)=O 1768581083 HALLYYNZRDJVJH-UHFFFAOYSA-N 444.561 1.592 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1770726832 AIQHWAOKURDJHP-KKSFZXQISA-N 425.468 1.030 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCOCC4(CC4)C3)n2CC(=O)NCC(F)F)cc1 1770740862 PLOCBGNWQMPWSC-UHFFFAOYSA-N 446.458 1.727 30 10 IDEE N#C[C@@H](c1ccccc1)c1cccc(C(=O)N2CCN(CCn3ncccc3=O)CC2)n1 1852494137 NUJADXOUOUSJIK-FQEVSTJZSA-N 428.496 1.752 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C(=O)C12CCCC2 1854402142 YUKCSJPWADCGFM-UHFFFAOYSA-N 430.408 1.551 30 10 IDEE CC(C)S(=O)(=O)N1CCN([C@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1854562920 DTJJXACWGABUJO-IBGZPJMESA-N 432.546 1.435 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855750534 DVNOSCDVYBMXTJ-JKSUJKDBSA-N 433.530 1.918 30 10 IDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NCCCC(=O)O)cc2)c1 1858651387 QGHRKYKFWNZUNV-UHFFFAOYSA-N 444.469 1.341 30 10 IDEE CN1CCC(=NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)NC1=O 1866006051 LLZCUFAZOXUIGD-HNNXBMFYSA-N 432.477 1.983 30 10 IDEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870529571 QWLYZIMWVVRYEC-UHFFFAOYSA-N 440.544 1.880 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1CCOCC1 1870641054 LYCWXNKNPDGYFP-UHFFFAOYSA-N 427.501 1.570 30 10 IDEE C=CCC1(NC(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022828266 WYOFLUCHKDOWFB-CQSZACIVSA-N 443.516 1.988 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC(=NO)C1 2108230468 ZCJBYWXJENWWMJ-DJJJIMSYSA-N 425.482 1.951 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124533070 NYEPKFKNJKDYDQ-SFHVURJKSA-N 448.369 1.920 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2247839894 DUEAPVBQNQSXRU-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2255814710 CJOAACCBUYHBFE-CYBMUJFWSA-N 434.346 1.705 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267272754 CQRCSJBVJZXUEF-SJLPKXTDSA-N 439.369 1.612 30 10 IDEE Cn1cc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1 2269067546 SFFYSJXMSGLASR-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE NCC#Cc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1F 2285185622 DJERDUVMMYGRGG-UHFFFAOYSA-N 429.473 1.242 30 10 IDEE CC(C)(C)OC(=O)N1CCN[C@H](CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2303485864 XSRCLGCDHNUANA-UXHICEINSA-N 427.549 1.822 30 10 IDEE Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(F)c1C#CCN 2381147181 OQEDDTRCEZYYIZ-UHFFFAOYSA-N 429.473 1.872 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1CC2=NO 2381957612 KMZPNISRSSUQQY-RNQAXOLUSA-N 437.493 1.949 30 10 IDEE CCN(C(C)=O)c1nc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 24803943 HXZOSOSXCHPIQC-UHFFFAOYSA-N 433.559 1.894 30 10 IDEE C[C@@]12CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C[C@@H]1C2(F)F 428741526 DYGRAXQXRMWRKM-PKOBYXMFSA-N 438.500 1.368 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccccc1-n1cccn1 460619771 QFKXGLJMWNKMEM-UHFFFAOYSA-N 426.440 1.888 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2noc(C(C)(C)C)n2)CC1 460789595 KJLKVXSBNTXFDL-INIZCTEOSA-N 431.541 1.945 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1C(=O)COc2ccccc21 482358182 CVGBSHXKIBATPW-HNNXBMFYSA-N 442.497 1.157 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CSCN3C(=O)c3ccccc3)C2=O)cc1 489245955 CLZQBEGPEVPEHH-VQTJNVASSA-N 434.521 1.991 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 492455270 GBVAUOJAIUXQKJ-UHFFFAOYSA-N 433.512 1.973 30 10 IDEE CS(=O)(=O)N1CCC(N(CC(F)F)S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 510567280 AWNOCRNSJJIABW-UHFFFAOYSA-N 439.481 1.518 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 514916352 JNYSQTVZSMYYBM-KRWDZBQOSA-N 447.516 1.878 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)CC2)nc1 521626858 KIVGCYZCQRSDGS-JOCHJYFZSA-N 444.495 1.078 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 522308918 MEGGRNQHEYGFIN-OAQYLSRUSA-N 429.565 1.462 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 522338061 NDAODDLDKSFPPS-UHFFFAOYSA-N 446.504 1.907 30 10 IDEE COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1OC)c1ccc(OC)cc1OC 527441402 BNBVLOAFUMCUHG-KRWDZBQOSA-N 441.440 1.943 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)CC2)n1 546919571 FSVUWPYFYPFNBW-IBGZPJMESA-N 431.562 1.034 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 549658417 VLYJTIZMVFXPSX-LJQANCHMSA-N 441.488 1.633 30 10 IDEE Cc1nsc(N2CCN(C(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)c1C#N 558555471 GKKAXGNAXCUPAA-UHFFFAOYSA-N 430.534 1.473 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H](C(=O)N2CCOCC2)C1 578151266 ABCLGGKIIKFHNW-MOPGFXCFSA-N 428.533 1.901 30 10 IDEE Cc1ccc(C(=O)NCCc2csc(N3CCCC3)n2)cc1S(=O)(=O)NCC#N 609876128 RYHKEJKLHXZOOL-UHFFFAOYSA-N 433.559 1.826 30 10 IDEE CCn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1C[C@@H]1CCOC1)CC2 619856426 LTXGQDYGROJRJQ-KRWDZBQOSA-N 431.500 1.993 30 10 IDEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@H]2CCCO2)c1C 727813486 JMDLDVAHOCTVFW-GOSISDBHSA-N 448.548 1.825 30 10 IDEE CCc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn4ccccc34)c2=O)c1 729670634 ZDGCCULBOVADGE-UHFFFAOYSA-N 429.505 1.358 30 10 IDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 733673223 SXYLEHNNKVRSKY-UHFFFAOYSA-N 429.498 1.988 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 742891767 KJFFFTNRFQBMQK-HDEZJCGLSA-N 432.546 1.409 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 751684670 KOCDXBPCBXMMOA-CVEARBPZSA-N 438.933 1.216 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 752297981 ILMDQWMGTGFENO-MRXNPFEDSA-N 427.526 1.801 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)Cc2ccccc2CC#N)CC3)CC1 754529099 QJXJNEZGNQJJQR-SFHVURJKSA-N 434.544 1.258 30 10 IDEE CCNC(=O)C1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 764074941 KSCGOQIXUPZGGZ-NKFKGCMQSA-N 435.550 1.879 30 10 IDEE Cn1nccc1CCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 772770315 NVNURWKFSCBKLS-UHFFFAOYSA-N 438.444 1.364 30 10 IDEE C#CCN(C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 774187301 GXVNTYAHRSXNOZ-ZACQAIPSSA-N 427.567 1.854 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)n1 788815000 SIUGDOQKKDAJGT-UHFFFAOYSA-N 429.868 1.443 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 791127506 HRMYTTRMLNYVGJ-RWVGPTSPSA-N 432.502 1.051 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1c(Cl)cccc1Br 800912787 XMQLGVWSORWIQX-OWBHPGMISA-N 434.699 1.907 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2Cc2ccccc2)CC1 802187999 CYCRDEMJTZWHDS-UHFFFAOYSA-N 425.500 1.724 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(C34CC5CC(CC(C5)C3)C4)n2CCOC)CC1 802509278 ISUJRSDFHSWSKV-UHFFFAOYSA-N 442.608 1.817 30 10 IDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 806348044 VTPCIBOPUJQZOU-UHFFFAOYSA-N 432.542 1.980 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 806769338 IWKKQBRORBUADG-KRWDZBQOSA-N 445.520 1.885 30 10 IDEE C#CC[C@]1(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 809803308 GJZUNHWAYODMKB-OAQYLSRUSA-N 439.578 1.806 30 10 IDEE CC[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)OC 809942484 VEUUISISAZVLEB-WMZOPIPTSA-N 431.562 1.983 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COC(=O)CC3(C#N)CC3)cc2)C[C@H](C)O1 815414006 MYKNLOWLIOSEHO-GJZGRUSLSA-N 435.502 1.660 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1n1cccn1 819390347 BUKAHKVCWBMGFX-FCEWJHQRSA-N 431.518 1.237 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)C1=O 849536223 WKSGXLWHBHIOJY-GOSISDBHSA-N 443.504 1.196 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)NCCCC)c1)[C@@H]1CCS(=O)(=O)C1 1116473536 MCCNMMYYLFCPJH-MRXNPFEDSA-N 427.548 1.419 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1116585601 GEUBAPCWVBYEEU-MOPGFXCFSA-N 442.516 1.974 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 1125187486 PIBXKIVUZUHGEW-INIZCTEOSA-N 442.516 1.533 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2sccc2CC#N)C1 1133401213 ZKEFPZJMDXIZOG-AWEZNQCLSA-N 427.548 1.968 30 10 IDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1135981955 CLONUZMJGNFOET-IBGZPJMESA-N 434.468 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cc(Br)cn3ncnc23)C1 1138108091 IJXFETWXWZJVND-GXFFZTMASA-N 435.282 1.981 30 10 IDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)no1 1142733926 AYFSRMAPFTXZRA-SECBINFHSA-N 431.396 1.785 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1)c1cc[nH]n1 1171824302 WTVIFTPNUPSXOM-GOSISDBHSA-N 443.504 1.019 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCc2cncc(C#N)c2)cc1 1178373559 LAQMYXZPRPBYEN-AZUAARDMSA-N 428.514 1.517 30 10 IDEE COC(=O)[C@]1(N2CCN(CC(=O)N(CCC#N)c3ccc(C)c(C)c3)CC2)CCOC1 1196263710 RAEJJAJHPWSYGY-QHCPKHFHSA-N 428.533 1.500 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1286294201 BZENRFFUWPNEDJ-RCCFBDPRSA-N 440.614 1.045 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1286360909 KOXUMBWJDUJJRY-INIZCTEOSA-N 427.534 1.386 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389177 GTFZJUNYKBDJQU-UHOSZYNNSA-N 441.557 1.660 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1286391288 CHLPBPNJWKJNAW-MJGOQNOKSA-N 441.557 1.520 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1286462731 SVOGNMGVGJMVGE-UHFFFAOYSA-N 442.520 1.541 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1286467243 ODQYFQRALJSQEL-SFHVURJKSA-N 437.610 1.531 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSCC#C)CC1 1286494759 OWWZMLFWVIMNFX-OALUTQOASA-N 445.589 1.334 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1286561348 CLRANJDBLHEXNY-HTXNQAPBSA-N 427.509 1.443 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1286749249 OAPZOXLPQCHNOB-QRWLVFNGSA-N 449.602 1.913 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1286773112 HSRPZJKVLPSEIT-AWEZNQCLSA-N 428.946 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286817475 TVYNIBOQJFZWPG-MRXNPFEDSA-N 430.534 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1286823608 WPSYKMJTMAIHBF-FQEVSTJZSA-N 433.509 1.942 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1286958590 AGLFGSQJZJHVGC-IXDOHACOSA-N 425.603 1.749 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1288320761 CSLUREJPSAOCIE-PGRDOPGGSA-N 446.552 1.450 30 10 IDEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCO1 1289339228 LYNQOYJGIRBTMU-OAQYLSRUSA-N 449.529 1.390 30 10 IDEE COc1ccc(C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccc(OC)cc2)cc1 1290249349 DPEKZWBWMRUJIY-HXUWFJFHSA-N 434.452 1.938 30 10 IDEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1293782892 AFUZXPLQVLTBJR-QBNCKDSPSA-N 429.525 1.246 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300268968 XMPYOQWICCYWLA-IIBYNOLFSA-N 445.545 1.155 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1300323329 YTZLINFUQJNFDE-HKUYNNGSSA-N 436.516 1.682 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300382638 XYWDQWKCISFOBC-JOCHJYFZSA-N 443.552 1.424 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1300762629 KSKXXVWRJIXTJM-IAGOWNOFSA-N 442.607 1.178 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1300899957 KGAWBIMVRZROJA-OAHLLOKOSA-N 426.587 1.549 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301047063 ARHNLSWRDOGJLT-UHFFFAOYSA-N 429.956 1.761 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1=O 1301887063 DLFXDZNXRWGNRS-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1302496676 YMIBHEWUHSIUIY-RBUKOAKNSA-N 444.561 1.904 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1 1303721362 CVMFTRJKXXGKTB-RYRKJORJSA-N 431.518 1.376 30 10 IDEE N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1309655845 HZUUHXINYRHGOX-UHFFFAOYSA-N 438.506 1.038 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1314890618 MNTSOFUWEVZGLK-QBEKEKFNSA-N 437.504 1.406 30 10 IDEE COCCN(C)CCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316065165 KQKRYMMOODHVBK-UHFFFAOYSA-N 448.531 1.843 30 10 IDEE C=CC[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1322586398 TUPSQWPHNRKBJS-WFASDCNBSA-N 447.351 1.035 30 10 IDEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1322757754 UBOODLCKFGRXMR-UHFFFAOYSA-N 440.504 1.824 30 10 IDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1325254555 KEWGSIDRLGQNMN-ZDUSSCGKSA-N 447.351 1.791 30 10 IDEE COC(=O)c1ncoc1CCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1355743228 DRYFOIIPVVAWPA-CJLVFECKSA-N 434.474 1.845 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1358079004 BGTJKDGDHROCFD-UHFFFAOYSA-N 427.530 1.911 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1358904573 HBCKYGIGUWJISM-INIZCTEOSA-N 433.582 1.809 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358963230 DYKPSINCWUSILE-DLBZAZTESA-N 448.549 1.123 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1358969781 WSDHCQMVTCSATB-QZTJIDSGSA-N 440.573 1.412 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCO2)CC1 1359041846 KHWAGPGDTNXWKL-PGRDOPGGSA-N 431.537 1.075 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN(C)C(C)C)CC1 1359046257 KKOGMSNHBMPDID-UHFFFAOYSA-N 437.592 1.960 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1359057338 XHIDSXAJWUXWLZ-WUJZJPHMSA-N 439.607 1.499 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1359070620 QEYBTQGVRMMNKY-DBXWQHBBSA-N 435.594 1.141 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359292945 BQTKAUGQTCOXMG-IVZQSRNASA-N 442.495 1.718 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1359333427 XHYKZTXJVONDGU-UHFFFAOYSA-N 447.561 1.900 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1441069381 PRVOJVRIPMMMBX-RBUKOAKNSA-N 434.581 1.838 30 10 IDEE C#CCN(CC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)C(=O)OC(C)(C)C 1451474540 DFXFELCVEZUNHS-UHFFFAOYSA-N 442.560 1.870 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)cc1 1453774853 YSNBCEKAADZGBU-UHFFFAOYSA-N 437.481 1.457 30 10 IDEE C#CCO[C@@H](C)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1453823627 CTSHYBHIZYQYRR-INIZCTEOSA-N 425.489 1.975 30 10 IDEE CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1C 1464290301 DUVQNHGTRPKBDI-UHFFFAOYSA-N 434.543 1.286 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@H]2CCN(O)C2=O)cc1 1468376459 WUQISKGAYSCIIF-OALUTQOASA-N 429.498 1.217 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 1470142399 RJIYLTNYTXYSGO-QGZVFWFLSA-N 439.520 1.470 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360009 ASVDOMNOHBSFKJ-RYUDHWBXSA-N 445.398 1.125 30 10 IDEE C#CCC1(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCOCC1 1471318973 FUOUGIZSYRUVGK-INIZCTEOSA-N 443.566 1.282 30 10 IDEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1472318943 ZUIOSBLULHBAPO-NDEPHWFRSA-N 444.554 1.550 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)C1CCCC1 1478899835 PABXGHAKBDBMCS-PMACEKPBSA-N 449.577 1.596 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1494477410 HADJZRDARABMJX-JZXOWHBKSA-N 445.545 1.777 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1504439879 AASGZFSIHYNFEJ-MAUKXSAKSA-N 440.504 1.509 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCS(=O)(=O)C3)n1CC(F)(F)F)C2 1505317158 JMSWBLFRTCVCNT-SNVBAGLBSA-N 442.423 1.277 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1507515597 YQTGPVMLBQRDJK-KRWDZBQOSA-N 446.515 1.663 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507593600 RQGRNZGFRBHPJJ-GOSISDBHSA-N 442.589 1.842 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(CC)CC 1507606409 KWUNEAXBKVHPLT-KRWDZBQOSA-N 432.594 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1507666919 HMWHKQMSIFQFBG-KRWDZBQOSA-N 426.521 1.559 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1507748188 LHALAMRPFYRQQG-HNNXBMFYSA-N 433.559 1.027 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C2CC2)CC1 1507760179 VSNFQTRTNZPHBQ-OALUTQOASA-N 447.605 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1508134936 AJZZVYMRNDRZAY-QGZVFWFLSA-N 448.545 1.944 30 10 IDEE CN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1517135811 KAHZCWCVZKDEGV-DQRAZIAOSA-N 449.515 1.563 30 10 IDEE COCCN1C[C@H](Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1519219589 GSRZUZQEHATLPU-UXHICEINSA-N 438.532 1.287 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1539219224 HDOOZZGHWAKZPD-GOSISDBHSA-N 444.561 1.609 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1539369339 JYUGANFNIGFOPT-INIZCTEOSA-N 438.579 1.078 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2F)CC1 1539428837 WYVQEKKCERQZPI-UHFFFAOYSA-N 428.487 1.790 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1540872245 HXRLLWMVHODDAK-UHFFFAOYSA-N 439.564 1.520 30 10 IDEE CC(C)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1541707095 GGNUKBSTEYEBPL-UHFFFAOYSA-N 445.593 1.723 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)C1 1541990805 NOGUEKZQCFBYNG-MBOZVWFJSA-N 437.566 1.506 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC(=O)Nc3ccc4c(c3)OCCO4)CC2)o1 1543663188 DFLNRVLSEBNRTK-UHFFFAOYSA-N 439.472 1.939 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)NC)CC1 1548314810 IETTYINMURUHCT-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1555700744 UETOTUGMPODSNM-QHCPKHFHSA-N 440.548 1.515 30 10 IDEE C#CCn1cc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 1556465821 XSXMYOGLHRYHFA-SFHVURJKSA-N 431.474 1.284 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643521 XUNHTPZCMFJGSY-KQEPKPNTSA-N 425.551 1.857 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2nncn2CC)c1 1587693178 QHGIGFYWYBZILZ-QGZVFWFLSA-N 434.504 1.498 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1588064863 QJMIAJPIYASSGD-MOPGFXCFSA-N 429.546 1.317 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1588138550 FLMPOPDOKQBYIL-QFIPXVFZSA-N 448.571 1.889 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC 1589216492 QFRFAQAKLQJDFV-AHRSYUTCSA-N 439.582 1.154 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1595218617 LTWLJWJZTUUSQS-KRWDZBQOSA-N 430.534 1.760 30 10 IDEE C#C[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1596978116 LGSFYMLYTJEGGB-CQSZACIVSA-N 444.289 1.077 30 10 IDEE C[C@@H]1CN(c2ccc(Cn3c([C@H]4CCC(=O)N4)nnc3N(C)[C@H](C)CC#N)cn2)CCO1 1612882662 BLOQJMVTOJEOHF-JFIYKMOQSA-N 438.536 1.636 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H]1N1CCOCC1 1612910450 FEJGCASNHZHDNF-FXAWDEMLSA-N 437.548 1.452 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1613434543 RUWQFJQXCGTEDB-JENIJYKNSA-N 429.569 1.653 30 10 IDEE COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@H]12 1616175503 ZMEZWXNPOOEALR-CAEXGNQWSA-N 433.452 1.271 30 10 IDEE COCCCN(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1619836704 LMPGTRHROMPEKC-YLJYHZDGSA-N 442.520 1.488 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1ccc(F)cc1 1619909530 AFTGAKWODYUTHC-UHFFFAOYSA-N 443.483 1.658 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@H]1OC 1620147868 CTVOMZZITUZKDO-JQVVWYNYSA-N 443.504 1.384 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CCOCCCO)c1 1620349836 UGHDRPLKVZUYIL-HXUWFJFHSA-N 437.504 1.318 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1 1624325355 NZLJEKXGELAADJ-HNNXBMFYSA-N 428.461 1.255 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nn(C)cc2Br)s1 1624483427 ADEBWFDPFUEWEN-UHFFFAOYSA-N 433.353 1.567 30 10 IDEE C=CCOC[C@H](NC(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)C(=O)OC 1626208820 WUHHYVRMDWLIPA-AOMKIAJQSA-N 440.537 1.779 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)ccc1F 1626580399 MVVBCBXBURLBCG-JQHSSLGASA-N 442.509 1.325 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(CC(F)(F)CO)CC3)C2)C1 1627951460 SAKBYJUXEDSKHH-LFDOHDQPSA-N 442.507 1.545 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 1628662132 IIRZVMQZNQEEQX-GOSISDBHSA-N 425.466 1.671 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 1630716906 CJPJCZOKMCMNSK-HNNXBMFYSA-N 436.511 1.116 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](C)CC#N)CC2)c([N+](=O)[O-])c1 1630840257 QJGSEANFCSQXJA-OAHLLOKOSA-N 437.522 1.824 30 10 IDEE N#Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)[nH]c2c1 1631012122 HHCQXSFWGHSDNL-DYVFJYSZSA-N 429.433 1.336 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)c1 1633204225 QECPWVVMJMRXPL-CALCHBBNSA-N 427.486 1.008 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1634352776 IVKRNVOIZJIFGL-YZVOILCLSA-N 426.539 1.356 30 10 IDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1639493157 LBFILYFMSSSKRO-SSDOTTSWSA-N 443.291 1.844 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)cc1 1640058032 MQCBYSPOOPEOGK-FQEVSTJZSA-N 438.459 1.741 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CCO2 1640272861 BFXPADKZOBWYPK-CWFSZBLJSA-N 437.518 1.044 30 10 IDEE C[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN(C(=O)OCc2ccccc2)C1 1640636892 OTXNCDZDNAJHEN-QFIPXVFZSA-N 437.456 1.253 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1643610715 YHPMPSYUTVCOAT-QGZVFWFLSA-N 441.557 1.293 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1650958338 JRWCEMALXXIZEJ-VXGBXAGGSA-N 434.321 1.438 30 10 IDEE C#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 1660766600 BZAHKPJURDFINT-UHFFFAOYSA-N 434.539 1.308 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 1661870219 PXLYQUVHPVIUDL-UHFFFAOYSA-N 446.371 1.318 30 10 IDEE N#CC1(CNC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCOCC1 1681189798 OKFQYUVWLRUYDW-UHFFFAOYSA-N 438.525 1.988 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)C[C@H]1CS(=O)(=O)C2 1683238648 ILWICAAOCUGYNY-WPKBUWHJSA-N 426.901 1.638 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)C1 1684082840 JHYQQMPSGHCVMK-UXHICEINSA-N 432.952 1.979 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1 1689836030 XIYCNURMRKHICE-MRXNPFEDSA-N 441.561 1.630 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689845130 QJIIJLUCVCICOS-BZSNNMDCSA-N 430.578 1.946 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2nncn2C)c1 1689872332 VIGXQJKCRNVSNL-UHFFFAOYSA-N 441.499 1.497 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1690236401 MFWUTVTXPRLOFS-YHEJKZAPSA-N 439.520 1.608 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1690669102 UKEJEONGEFSHGJ-UHFFFAOYSA-N 440.895 1.766 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2noc(CC)n2)C1 1690684386 FCKKRIBLZLWRDK-OAHLLOKOSA-N 438.492 1.895 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCC(=O)N(C)C 1693744781 AZYYKRYUVXDTPN-OAHLLOKOSA-N 425.541 1.431 30 10 IDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CC[C@H](CO)O1 1696349998 UNOIMZLRWJGUHD-ZCNNSNEGSA-N 427.505 1.804 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1696454412 GPDNAKSCUIRIDC-GOSISDBHSA-N 445.545 1.636 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1=O 1696885689 OIMAWTXYUGEYNO-UWJYYQICSA-N 442.545 1.308 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1697778945 DVQARHMEAXBKEI-ZWKOTPCHSA-N 441.511 1.802 30 10 IDEE COCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698224669 JKFOICKNWDQJIL-SFHVURJKSA-N 428.493 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1705475538 MMYPTAFYAXGOIT-UWJYYQICSA-N 432.594 1.180 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1705476899 GUSBJKRRPQWQRN-CKFHNAJUSA-N 437.591 1.896 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1705532661 PWJNNPUSQPZNQU-GOSISDBHSA-N 435.525 1.800 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1705558786 IEFHUGAGFIZLJX-KRWDZBQOSA-N 449.577 1.100 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1705602201 LZFAXWLLYOWLCS-KRWDZBQOSA-N 430.505 1.894 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1)C1CC1 1705854063 HZILFJMYLZWCPE-OAHLLOKOSA-N 430.534 1.874 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705933764 RAMQBQAGYWUGTE-MRXNPFEDSA-N 448.549 1.488 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1706081029 ATDZEHUISIMDRE-HUUCEWRRSA-N 444.561 1.601 30 10 IDEE CC(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706299826 VHYBKXKMHFZRMT-PEZBUJJGSA-N 442.442 1.822 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1706749491 WKJYBHMNMMSPAG-KBPBESRZSA-N 434.522 1.569 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1708146663 FPXWVJYGQNQFJY-SFHVURJKSA-N 437.548 1.596 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1711430669 ABKIVAPHPGAXDI-FUHWJXTLSA-N 443.529 1.641 30 10 IDEE COCCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1712414588 VNKGTDPSZBNSJN-VXPUYCOJSA-N 446.458 1.756 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722331362 FBSFWNFVNKEAML-KRWDZBQOSA-N 434.566 1.563 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1722441449 QIFZNFIVNPGXMS-UZUQRXQVSA-N 444.580 1.277 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1722442488 TXDBKWNTFJTLHL-UHFFFAOYSA-N 447.536 1.329 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCOC[C@H]2C)CC1 1722445151 SNAPMXFQJOOTOZ-HBFSDRIKSA-N 447.580 1.641 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722629361 KEMLDLJMKONZFI-ROUUACIJSA-N 438.536 1.751 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722686093 SJWYEAMXURHUAB-HNNXBMFYSA-N 435.525 1.841 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COc2ccccc2)C1 1722692629 TUTKOGZTRNTLDI-GOSISDBHSA-N 438.532 1.722 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1722704317 QRBHREICSCLPDY-GCJKJVERSA-N 432.569 1.297 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1723678171 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CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1752477406 MUFHUCHAECITBU-HSALFYBXSA-N 438.532 1.852 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1760187730 FCBADMPILNYOSI-QRVBRYPASA-N 443.573 1.826 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189195 GMLOJXCMWLRMEC-MISYRCLQSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760189233 GRAZPADWMXYFCW-RTBURBONSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1=CCCOC1 1760197036 VUQLVOKWVCLMGB-UHFFFAOYSA-N 438.557 1.966 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1760220275 FSULQXOPPXQZBV-IBGZPJMESA-N 437.519 1.966 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(C)=O)nc2)CC1 1760261331 OXSGMSIAFSQHRK-UHFFFAOYSA-N 447.547 1.297 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1760264498 QHRPKTRUJIEVLR-FDDCHVKYSA-N 441.532 1.161 30 10 IDEE 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LYMOCKZQZHUEIU-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE CON(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2255650473 ZRBGJBLPHNMMEE-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255699222 OIRKSXKXLBYJAA-CVEARBPZSA-N 433.314 1.091 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 2255941911 KSNNFINUKWCSRE-UHFFFAOYSA-N 446.382 1.226 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267113038 OSXBSXLTVNUUCJ-UONOGXRCSA-N 449.361 1.632 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)nc2)OC1(C)C 2267536738 LTQCRBIGCMYTKN-STQMWFEESA-N 440.231 1.154 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)n1 2267544606 WSZMESKEYGXMDD-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2C(=O)C#CB1OC(C)(C)C(C)(C)O1 2267563973 DOFITXMNSWBLEK-JOCHJYFZSA-N 447.341 1.349 30 10 IDEE Cc1nc(NC(=O)C2(N(C)C(=O)OC(C)(C)C)COC2)ncc1B1OC(C)(C)C(C)(C)O1 2268708400 AKLMPWMWYYKHTK-UHFFFAOYSA-N 448.329 1.659 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303104446 KFNOLUAFTPPQCM-UONOGXRCSA-N 425.335 1.840 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2311711171 OGRXQYGVWFJARN-OWCLPIDISA-N 438.330 1.118 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2312853833 LCQGUIYYBQGAGM-BPLDGKMQSA-N 432.330 1.837 30 10 IDEE COc1ccc(OC)c(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329013169 OORIIDGMPUXCFA-AWEZNQCLSA-N 446.533 1.479 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cc(C)ccc1O 2330748372 CMFGVPGXZZJKGQ-UHFFFAOYSA-N 445.530 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CCC(CCOS(C)(=O)=O)(CCOS(C)(=O)=O)CC1 59110888 ZZQDNKAZWBTSKN-UHFFFAOYSA-N 429.557 1.736 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169820008 HDOBWRDCBSXJLA-FQEVSTJZSA-N 430.464 1.478 30 10 IDEE N#C[C@](N)(Cn1cnc(I)c1I)C1CC1 308789084 BRGQEWMSPXXJIY-VIFPVBQESA-N 428.015 1.723 30 10 IDEE COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)[C@H](C)n1cnc(C#N)n1 409864056 JKJGUVBGGMPWAZ-IINYFYTJSA-N 445.277 1.855 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)C1=O 438633790 HGOHRKMVFNFMDC-CYBMUJFWSA-N 436.262 1.708 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 441414128 YOTUNVKBLXBFPR-GOSISDBHSA-N 431.461 1.621 30 10 IDEE COc1cc2c(cc1OC)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 481122134 ULZRFQYCYDDKCX-OAHLLOKOSA-N 443.525 1.870 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)C2=O)cc1 488275186 WFPNMRICRHWEOZ-UYAOXDASSA-N 437.475 1.442 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)c2ccc(O)nc2)CC1 498962633 ALMILOHNXMKYHW-UHFFFAOYSA-N 431.456 1.241 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN2CCOC[C@H]2C1 508496235 CYRJDAWSTJCXSD-MRXNPFEDSA-N 431.566 1.253 30 10 IDEE Cc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cccc1S(N)(=O)=O 513826053 NZRYDPUQLWYJHA-MRXNPFEDSA-N 430.511 1.668 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 524606109 ODAISONJTHYHJN-UHFFFAOYSA-N 429.502 1.674 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 541193712 JXOOFQYFFROZQB-MOPGFXCFSA-N 449.515 1.278 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCCC1 544749957 JMRWLAWMZIAZQV-UHFFFAOYSA-N 433.502 1.685 30 10 IDEE N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c(F)c1 549605344 DXBFFAFPKUJPSI-UHFFFAOYSA-N 444.488 1.878 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 572565711 DVMIBOWWTQHPJT-UHFFFAOYSA-N 440.525 1.566 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 576420613 YKHSXMSBMJTLEB-CRAIPNDOSA-N 438.525 1.968 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 577889669 JJMSUTUAUIRPAT-OALUTQOASA-N 447.561 1.683 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@@H]1CCCO1 590914705 VAHBRTUJTSQPGQ-HIFRSBDPSA-N 447.582 1.113 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)nc1 609515515 DJRHQEAKKZYPIK-MRXNPFEDSA-N 428.470 1.169 30 10 IDEE C[C@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732666612 ZSOFOJKJRWIZDL-XMSQKQJNSA-N 438.488 1.040 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 732795444 HTSNPSJRTBKPDJ-INIZCTEOSA-N 428.558 1.984 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)nc3)CC2)cc1C 734601097 BGCWEKTZMZNTNY-UHFFFAOYSA-N 442.497 1.260 30 10 IDEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc2c(c1)NC(=O)CO2 744742156 CBTLEUORRFEIFT-UHFFFAOYSA-N 444.517 1.185 30 10 IDEE COc1ccc(CNC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1C#N 746769024 XFFOHBDWPFXKGK-UHFFFAOYSA-N 433.512 1.983 30 10 IDEE CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cn1 748065959 OOLHFEVHKUSADZ-QGZVFWFLSA-N 440.569 1.913 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1=O 752155635 GOPGMIDQTBBHJT-YIONKMFJSA-N 434.493 1.352 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CC[C@@H](S(C)(=O)=O)C1 752207487 VYZGHYPSFWVBMN-FMKPAKJESA-N 442.559 1.793 30 10 IDEE CN(C)C[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470343 GMULDJBICBODKI-NRFANRHFSA-N 435.480 1.660 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cnc1Cl 760377336 JYJXMLPQRGDSHJ-OAHLLOKOSA-N 444.944 1.227 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](Cc1cccc(F)c1)C(=O)O 776639993 MYBDSOSBNYZKEB-HNNXBMFYSA-N 447.488 1.704 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 788813207 CIABJXDIYHWAAJ-MRXNPFEDSA-N 443.529 1.009 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@](CO)(c2ccccc2)C1 801473089 VTELOXSZMUAOJW-QFIPXVFZSA-N 427.526 1.668 30 10 IDEE C#CCN(c1nnc([C@@H]2COCCO2)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 812057245 SYPFJCFAKNEHSW-OALUTQOASA-N 430.530 1.235 30 10 IDEE CCN(CC)C(=O)CN1C(=O)C(=NNS(=O)(=O)c2ccc(F)cc2)c2ccccc21 1084415602 CPDVGQJVVSHYKQ-UHFFFAOYSA-N 432.477 1.723 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cn1 1124366809 JXBQRMOBZFJGEL-UHFFFAOYSA-N 449.330 1.791 30 10 IDEE CCCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1snc(C)c1C#N 1133874088 WPFFKGPLAGELQS-UHFFFAOYSA-N 447.542 1.501 30 10 IDEE Cc1cc(I)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1134429136 PFVZHNFNDLLHDS-SWLSCSKDSA-N 430.267 1.610 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1136633025 XJAGUOTYYYUBDV-IBGZPJMESA-N 440.544 1.809 30 10 IDEE CCN(C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1)S(C)(=O)=O 1136732540 ZOICDBIOWPKESD-UHFFFAOYSA-N 431.511 1.009 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CC1 1152967849 SCVSUCAWLZWHSY-UHFFFAOYSA-N 448.936 1.024 30 10 IDEE C#CC1(O)CN(C(=O)[C@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)C1 1158398835 YYNMTSCZSCCWTM-GOEBONIOSA-N 426.332 1.249 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](CCO)[C@@H](CO)C1 1159699101 WPNRHTVIWYSLRM-ZIAGYGMSSA-N 427.295 1.548 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1286274111 LYYBIIBQIHRYAG-WLOOLWSVSA-N 437.591 1.273 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286320499 CAMZCTPPOFGVFA-UHFFFAOYSA-N 438.580 1.617 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286350291 YRBQADFRTZQZQL-CVEARBPZSA-N 425.555 1.028 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1286381758 TYNMHQBYBNRRCH-LJQANCHMSA-N 436.559 1.198 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCn2cc(CO)nn2)CC1 1286473633 VMOAVGIDGULFBH-JOCHJYFZSA-N 448.575 1.749 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)CC1CC1 1286531803 ZGRJWKIUQGAHBY-BBTUJRGHSA-N 436.578 1.819 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1286604812 WTYNCXAQTLDNCF-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1286758064 BVSRUCGQCNDTSL-ZWKOTPCHSA-N 438.598 1.274 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2ccco2)C1 1286781538 SYCQZRUFKDIHHA-QGZVFWFLSA-N 430.509 1.670 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CC2)C1 1286812987 VMMKSDDIWJXDQO-MRXNPFEDSA-N 437.591 1.992 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1288775178 CEIYVJJHABSFJL-YWZLYKJASA-N 434.566 1.803 30 10 IDEE CCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1293116848 QEHXFXZHHKNKOQ-JHBCHSCWSA-N 443.552 1.056 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1297695439 HAUSMAJFDFDINO-GOSISDBHSA-N 444.561 1.604 30 10 IDEE CCS(=O)(=O)NCCn1c(C(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1297769471 AKHYEURLJXLZNW-UHFFFAOYSA-N 449.556 1.678 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)NCc1ccco1 1298286026 NETIONIJCHIIBE-UHFFFAOYSA-N 447.499 1.818 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnnn1CC1CC1 1298968998 HXBDROYSNPPIMQ-AWEZNQCLSA-N 434.508 1.080 30 10 IDEE CNC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1299252708 CZIPQRKHWMVHPX-UHFFFAOYSA-N 435.463 1.679 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1299552860 MJRJXBCOPRYJCL-KSSFIOAISA-N 437.504 1.618 30 10 IDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1299779214 DOJMYQVFJPMRAH-MRXNPFEDSA-N 430.534 1.323 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1300505684 FQWSKPMELKFHJH-UHFFFAOYSA-N 442.545 1.159 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2sccc2C)CC1 1300711148 SXXWBTCKPORYOB-UHFFFAOYSA-N 440.573 1.898 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC2CC2)CC1 1301482685 AFOHMUSZCFRSCN-UHFFFAOYSA-N 448.369 1.870 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301490903 HVUJCRGOTAWYPO-GOSISDBHSA-N 426.569 1.180 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301492539 JPIYTOYNJYDJDX-QGZVFWFLSA-N 439.476 1.525 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301498250 MEFFJJDQWQOIGR-UXHICEINSA-N 445.612 1.427 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCC(C)C)C1 1301566731 BQHNFCJFHHKLON-KRWDZBQOSA-N 439.582 1.366 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1301965257 IFWIPHQCBCDYKH-KBPBESRZSA-N 434.522 1.569 30 10 IDEE Cc1c(CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1304093634 QQNAWJVXRIEBCQ-VXPUYCOJSA-N 426.525 1.681 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@]3(C)COCCO3)CC2)c1C#N 1304731221 NIGUFROXHPOYLN-OAQYLSRUSA-N 428.541 1.447 30 10 IDEE C#CC[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1310012370 ABWFELYDBSWQTF-OAHLLOKOSA-N 425.507 1.266 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1)S(C)(=O)=O 1313798676 AUUMIBQONNSFCL-MRXNPFEDSA-N 432.550 1.713 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](COC)O[C@H](C)C2)C1 1314260717 CKTMTSPUTFIPGB-YGDDZIOGSA-N 441.532 1.987 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1358920429 YVLLKNVJCPPOBR-UONOGXRCSA-N 436.504 1.375 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCN(CC)CC1 1358974715 OUIXADXXXVPYNP-UHFFFAOYSA-N 434.544 1.774 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359024216 ICMZSMNYZAKLDI-MRXNPFEDSA-N 435.525 1.162 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359224865 FNLRJMDYDDCPOH-UHFFFAOYSA-N 434.566 1.793 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1359226011 SZHNKVOXRDNHAZ-QGZVFWFLSA-N 444.536 1.951 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1359291008 ASEICRHECKMSFH-MRXNPFEDSA-N 441.536 1.268 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1359306531 JSULTCAUTFIQML-FOIQADDNSA-N 448.524 1.943 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)cc1 1359331154 OTFHJYNXUGDOJU-UHFFFAOYSA-N 430.534 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359332588 BJVIHEBEGSRCSS-GJYPPUQNSA-N 442.607 1.550 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1359564096 GPBVMFAVAWMZLF-CJNGLKHVSA-N 441.492 1.846 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H]1COCCO1 1359717913 LSXFXOVJUIFVGL-DLBZAZTESA-N 426.525 1.584 30 10 IDEE N#C[C@]12CN(C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)C[C@H]1CS(=O)(=O)C2 1439798845 VIMWHUHIXLZICD-MAUKXSAKSA-N 442.463 1.714 30 10 IDEE C[C@H](CC(=O)NC[C@@H]1c2ccccc2C(=O)N1C)/N=C1/NS(=O)(=O)c2ccccc21 1454716705 OSBTYNLZNRDJDK-CXAGYDPISA-N 426.498 1.447 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC([C@H](O)c3ncc[nH]3)CC2)CC1 1459957804 ACJFKXKTIRAREW-XLIONFOSSA-N 428.562 1.626 30 10 IDEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472035568 KRBZCRFAFGYFEJ-VPWXQRGCSA-N 436.509 1.046 30 10 IDEE C[C@@]1(C#N)CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1473663179 PQWZTHZGKCAMJV-SFHVURJKSA-N 426.926 1.535 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)C2)nc1 1478308741 QQCKVFRCIOMBLG-MBOZVWFJSA-N 433.534 1.275 30 10 IDEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)s1 1498571374 DHHWYAAYWSLYLY-CYBMUJFWSA-N 440.533 1.891 30 10 IDEE CCOCCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1503188392 CRECWJFFBWECCG-CZIZESTLSA-N 425.493 1.648 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1503461484 CGTZZOFSFCLYGN-RBUKOAKNSA-N 444.561 1.714 30 10 IDEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1504452561 BIDIQVHZOVDDDP-UHFFFAOYSA-N 426.502 1.749 30 10 IDEE COCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1505050407 RHNRJXJSRDBNIK-UHFFFAOYSA-N 436.520 1.540 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@H]1C 1505081935 QUVGLJDCXIEOLC-HOJAQTOUSA-N 432.569 1.853 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C#N)CC1 1505134179 AUUQDQFDWOQVPT-UHFFFAOYSA-N 428.518 1.618 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1=O 1507523347 KYFBRLYFAQUYNX-KRWDZBQOSA-N 433.520 1.781 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507553340 DLRSCYDHMKPRPO-UHFFFAOYSA-N 437.552 1.460 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1507600414 GEELPTMVDXJJLK-AWEZNQCLSA-N 428.559 1.215 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1507602225 YYFJIYVBDNOFPT-QGZVFWFLSA-N 431.562 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1507641779 CXDFCPNSPWFDAD-OAHLLOKOSA-N 425.518 1.080 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507677602 CNTFUUPJHYDUGE-KRWDZBQOSA-N 437.552 1.474 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc([C@H](C)O)cc2)CC1 1507720594 UXEBBSHBGDDKMG-OALUTQOASA-N 427.549 1.859 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccn(CC)c2=O)CC1 1507721943 VSNWGKIVUXJYFY-UHFFFAOYSA-N 437.935 1.979 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1508003415 YFHWJYWUORXHCX-SFHVURJKSA-N 427.534 1.665 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 1508097143 NASUWTHWGAQONY-WMZOPIPTSA-N 438.532 1.552 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(N)=O)CC1 1508142989 VUEGBSVNFKOWHV-INIZCTEOSA-N 425.555 1.212 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1517877265 FLAUYLAEHIVFNE-LEWJYISDSA-N 445.545 1.372 30 10 IDEE Cc1c(C(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cnn1CCC#N 1531449847 SVOLPRLWPYIISD-UHFFFAOYSA-N 445.501 1.042 30 10 IDEE C[C@@]1(C#N)CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCO1 1536619646 RISUYTLZUJHVLY-QZTJIDSGSA-N 435.278 1.357 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1539126559 YGQAPWGFUCKBJO-MSOLQXFVSA-N 435.594 1.582 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539132232 GVTSLTOIGIJEIS-UHFFFAOYSA-N 438.580 1.298 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC(=O)NC)CC1 1539430725 MMOICHZFLDFSSA-MRXNPFEDSA-N 430.940 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCC(O)CC2)CC1 1539482681 OASUDBKQIOJJMB-UHFFFAOYSA-N 430.597 1.289 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1540067249 BVFNTOYBEOOMBN-KRWDZBQOSA-N 443.500 1.400 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1540073433 QDMRPATWSAPFQX-KRWDZBQOSA-N 447.561 1.804 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F)C1CC1 1540107403 AOCYHLDBSNOEOY-SFHVURJKSA-N 435.525 1.953 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCNC(=O)C2)n1Cc1ccc(C#N)o1 1554327397 KROBDEJBYITHNM-UHFFFAOYSA-N 430.266 1.495 30 10 IDEE CCCCn1c(CCC(=O)N[C@@H](C#N)CO)nc2cc(S(=O)(=O)N3CCCC3)ccc21 1556607745 QEZKDBNWLQPMLL-INIZCTEOSA-N 447.561 1.554 30 10 IDEE C#CC[C@@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1556832673 FSHLBFMTAOGJRP-LBPRGKRZSA-N 427.452 1.902 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)CNc1ccc(C#N)cn1)C2 1558366992 XLJKAWGUOFRWHG-ZMPRRUGASA-N 443.504 1.670 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(OC)CCC(c3ccccc3)CC2)CC1 1564722906 JENSBORZSVKSSJ-UHFFFAOYSA-N 448.589 1.524 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)CCC)cc1 1587909603 OOGPPAZYHILCOP-HNNXBMFYSA-N 432.550 1.745 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588069214 JNTOBDGZNZFSAR-MRXNPFEDSA-N 436.509 1.394 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1n[nH]c(C)n1 1588574404 HBQKXCNEAPUIMN-UHFFFAOYSA-N 436.520 1.902 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)noc2C)CC1 1588876493 BVXCHEXMCULOIC-UHFFFAOYSA-N 439.520 1.133 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1593747241 SHIBOZHKYSRJGV-OALUTQOASA-N 432.569 1.118 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCCCC2)CC1 1595466560 KVHXBMNWCYRWAY-UHFFFAOYSA-N 445.612 1.953 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCOC1 1595545589 YXBHFBBNABPMNI-SJORKVTESA-N 448.568 1.920 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCOC34CCOCC4)CC2)cc1 1616929382 LBFKDYNHWHCKPW-IBGZPJMESA-N 433.530 1.413 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1620357981 XANHPHQNJOXYKD-CABCVRRESA-N 429.493 1.734 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1628849824 PFYUOIOZVLEHIR-UAGQMJEPSA-N 428.348 1.543 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1634282878 YDYNFHWETWYNOR-ZZXKWVIFSA-N 425.464 1.383 30 10 IDEE Cn1cc(Br)c(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1634918499 IMOSBAHDBWKIIN-HNNXBMFYSA-N 431.294 1.655 30 10 IDEE CO[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)s1 1637512768 FJLDGDHNOPYHAV-GFCCVEGCSA-N 425.264 1.416 30 10 IDEE CN(CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccccc1 1639050211 RXNNSIDNORYEQK-UHFFFAOYSA-N 431.470 1.211 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 1639876577 HJBQWOBJGHYLAQ-SFHVURJKSA-N 439.578 1.663 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1640434483 YYFFQBWCJCINDF-WCZJQEMASA-N 448.545 1.882 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1cc2ccccc2n1CC#N 1640631081 OXCMIFAQFSZULV-QFIPXVFZSA-N 428.489 1.893 30 10 IDEE CON(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](C)C(=O)OC(C)(C)C 1643866390 BNTGVKDYZKILBA-CZUORRHYSA-N 430.461 1.883 30 10 IDEE C#CCN1CCN(C(=O)CN(C(C)C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CC1 1644360591 YIUFMCSMTDLTEI-QGZVFWFLSA-N 448.589 1.658 30 10 IDEE C#CC[C@@H]1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1644470137 SETHQQZYYUGAJD-GOSISDBHSA-N 437.544 1.914 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)s1 1646208812 CWYHINVJNAWXSH-KDURUIRLSA-N 428.576 1.129 30 10 IDEE CO[C@@H]1C[C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)Cc3cccnc3N2C1 1659769024 VTIJHVIYXLHUHP-NJYVYQBISA-N 426.565 1.183 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](OC(=O)N(C)C)C2)c(C#N)cn1CCOC 1670537134 BKULZAKRDXHITP-OAHLLOKOSA-N 435.481 1.877 30 10 IDEE COc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(S(C)(=O)=O)c1 1671477168 BXXNFUFKLQVGNV-ZDUSSCGKSA-N 430.490 1.503 30 10 IDEE C=CCN(C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1672982210 ZKJCUTAEMFULQY-KRWDZBQOSA-N 427.548 1.429 30 10 IDEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)C1CCOCC1 1675739092 QTWCYUXVUAPNQR-UXHICEINSA-N 431.533 1.805 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1685126918 BJIDLACQWFJYEK-PVAVHDDUSA-N 441.536 1.681 30 10 IDEE CN(C)S(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 1685302613 BZJRIZJHUCQGEP-UHFFFAOYSA-N 425.942 1.467 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1689824810 XXKNCGKULZLZFP-OAHLLOKOSA-N 429.484 1.718 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1689988166 KLCBLIBUCSABFP-OALUTQOASA-N 435.594 1.019 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(OC)CCCCC2)CC1 1690143791 CABUFLYCJVFVEG-SFHVURJKSA-N 442.564 1.544 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1690148424 GOUMLNVWKNMRCG-UHFFFAOYSA-N 436.560 1.751 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1690184043 CEORYEJDYFIZTL-MRXNPFEDSA-N 429.546 1.899 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690496119 KRZYSFSJYHJVRU-ULQDDVLXSA-N 444.540 1.500 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1690655356 QJPSCQLIWGIJBO-ZWKOTPCHSA-N 444.580 1.990 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690674008 LSFFXBWFKWBOKD-RTBURBONSA-N 444.605 1.780 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)[C@@H](C)C1 1690839955 ABQSAJZLBHLSHI-KXBFYZLASA-N 435.532 1.788 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1691439886 UDIZCEDDZGFEKK-LJQANCHMSA-N 433.520 1.849 30 10 IDEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)n1 1696872498 BJEGNKPJAFYSEF-UHFFFAOYSA-N 435.536 1.826 30 10 IDEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1697510547 CGUDJCMRKNJXFM-UHFFFAOYSA-N 445.545 1.633 30 10 IDEE COCCn1cc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)cn1 1698072985 CWSAWMOFPHHKLH-IBGZPJMESA-N 430.513 1.967 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)cc1 1698488119 CUQWMNZJLVHGGH-PXNSSMCTSA-N 426.502 1.326 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1705476478 ARACTGYJWCBDMJ-SJORKVTESA-N 445.593 1.658 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1705561841 WRMXPIZEAJEGKD-APWZRJJASA-N 443.573 1.826 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)[C@H](C)CC 1705612459 HDDIHMPMRIMOIY-IKGGRYGDSA-N 427.571 1.132 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1705634729 HHDCKUYZYFHONG-ZJSXRUAMSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(C(=O)NC)c2)CC1 1705637529 BBRUMJXCEFBKJF-UHFFFAOYSA-N 429.528 1.698 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC2CC2)CC1 1705638863 ZQRPENULTHPGTO-UHFFFAOYSA-N 428.562 1.229 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS2)CC1 1705651264 PPTIGOLLRQUPBN-KRWDZBQOSA-N 430.578 1.262 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705662117 QOZUREUDBGFTQM-GOSISDBHSA-N 440.573 1.574 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1705819889 WNMBUSLSOPYKOS-FUHWJXTLSA-N 439.582 1.583 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705828739 XMTULFYAADXBKR-INIZCTEOSA-N 437.508 1.465 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1705836774 FROBOIBRIMZDMT-QGZVFWFLSA-N 433.578 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)CC1 1705898135 BPQLXIVPALFFBN-UHFFFAOYSA-N 441.927 1.356 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705907423 MGWDSZVALCCMGJ-JKSUJKDBSA-N 444.561 1.720 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705935560 VOPKCNOBMULBPY-OAHLLOKOSA-N 438.554 1.737 30 10 IDEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C(F)(F)F 1711534747 MLODOVUQHBIHNZ-ZIAGYGMSSA-N 435.472 1.888 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1712608050 BGAXEGGOFWFTMX-HSZRJFAPSA-N 438.532 1.976 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722290580 YHGZCBSWXVYYCN-LZLYRXPVSA-N 431.566 1.341 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722306614 LXZIYSHDEJURPX-HXUWFJFHSA-N 429.613 1.825 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722368495 RBNPVPJNNFXMBF-QGZVFWFLSA-N 449.577 1.649 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(CS(C)(=O)=O)CC1 1722423445 CSYYCMFSEQXMMX-UHFFFAOYSA-N 446.529 1.585 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1722426857 NKRTUPHSADRRAY-MRXNPFEDSA-N 435.525 1.197 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2ncccc2c1 1722428531 HEYOJMOGLZAHEJ-LJQANCHMSA-N 439.541 1.863 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722445249 UWBZMMKLOZNLFW-FQEVSTJZSA-N 430.597 1.724 30 10 IDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1722455475 ULIBOEGWJCZFTC-KRWDZBQOSA-N 437.533 1.002 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722460882 MHAJVZZWFWWHSD-UHFFFAOYSA-N 439.589 1.031 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(-n2cncn2)c1 1722673869 HINWVMCQRAUWPO-UHFFFAOYSA-N 436.520 1.782 30 10 IDEE Cc1ccn2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CC[C@@](F)(C#N)C3)nc2c1 1724247038 GWFGBOQRESQKKU-IFXJQAMLSA-N 446.512 1.335 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)cs1 1725410570 HIWABXSKXPORCC-MSOLQXFVSA-N 431.566 1.209 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1729212752 CGVJCNNJFQGKLH-MRXNPFEDSA-N 432.550 1.713 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1740550509 QLAWRVDIMSXHTJ-CQSZACIVSA-N 443.533 1.380 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740622681 GOHMGVCROHFTTG-KRWDZBQOSA-N 429.546 1.580 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740624766 ALZBZHQAELMXNI-ZCNNSNEGSA-N 449.621 1.529 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1740671671 MBEGPTZFULWBMJ-QGZVFWFLSA-N 439.488 1.397 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740692180 UDPDMGAAAVVHPE-GOSISDBHSA-N 426.521 1.097 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CCN(CC)CC2)CC1 1740693006 SDRQPVRPUFFVOL-XMMPIXPASA-N 444.624 1.807 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC=CCO2)CC1 1740700586 CXTAJQMEZNVLAM-GOSISDBHSA-N 449.515 1.236 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1740704352 OQWIVZJEYNGZOA-UHFFFAOYSA-N 433.516 1.309 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1740717516 UVWCCYHUEIGBDG-IRXDYDNUSA-N 439.607 1.214 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740750009 JXZAXQCPNJKGPI-BBWFWOEESA-N 439.582 1.365 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740769580 ZFTFKDXNVDTCAX-FXAWDEMLSA-N 441.598 1.614 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740961918 MFVGSWMJYUKERP-DEOSSOPVSA-N 432.528 1.972 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1Cc2ccoc2CC(C)(C)C1 1740963163 BGCRBAWBKIPMRV-UHFFFAOYSA-N 426.521 1.885 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740965947 NJGXOFRHJUSFOD-ZJBJCVSYSA-N 449.552 1.079 30 10 IDEE CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1742039865 LMOPNVBOVPWABG-UHFFFAOYSA-N 430.534 1.824 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1742712532 FEAKPDJDRMIMTM-OALUTQOASA-N 426.569 1.989 30 10 IDEE CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1743168472 XABARHRVNMIANW-QGZVFWFLSA-N 434.522 1.360 30 10 IDEE CC[C@@H]1C[C@@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1744875634 SVMAUSLVPAZMJO-RKVPGOIHSA-N 448.549 1.749 30 10 IDEE CCN(CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1746067499 PBGKFFPFQGVDCD-KBXCAEBGSA-N 438.536 1.494 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1747858945 GAMHUDOYWBIZLV-XGIGFIBQSA-N 447.499 1.816 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1748092586 CNLMLLVMTFBTCI-UHFFFAOYSA-N 436.520 1.871 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1748730460 KXECZMJSWKQLOB-HXUWFJFHSA-N 445.612 1.061 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1748805029 NAIVLOVLKLHYBB-FQEVSTJZSA-N 429.546 1.098 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1748825749 DVBQLSHKZOIKMK-MRXNPFEDSA-N 425.518 1.011 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749225734 JKSOKQKXOOXHKO-LJQANCHMSA-N 442.568 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)CC1 1749736470 JPZQRLZPSYFEJI-UHFFFAOYSA-N 426.539 1.178 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1749750207 YIWMKERTVKSGMF-OAHLLOKOSA-N 425.522 1.152 30 10 IDEE CC(C)(C)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750458515 VQQXEQVOSKZZNH-LTCJTPMSSA-N 444.536 1.560 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)CCOC1 1751025281 APJKDXOAEQATFC-BBTUJRGHSA-N 435.525 1.243 30 10 IDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1751131311 DPSVIFJRQCUCKM-RBSFLKMASA-N 433.513 1.213 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCS(C)(=O)=O)n1 1751845076 MXVZQUJFMCKCCD-IBGZPJMESA-N 437.545 1.797 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1760170528 GOQZVHQUNCZQFG-UHFFFAOYSA-N 429.484 1.491 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1760197234 YHZPBVDCXJSOMJ-HSZRJFAPSA-N 431.500 1.836 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC1CC1 1760214109 BYHJKBWEIQHBHF-UHFFFAOYSA-N 440.525 1.962 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC 1760234233 UMPPESPBDYSYKG-UHFFFAOYSA-N 431.566 1.346 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1760373026 FEWZIOJNJQNUSA-UHFFFAOYSA-N 427.896 1.613 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760440618 NKVSMENHKMVNTD-OAHLLOKOSA-N 435.529 1.402 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2ccnn2C)CC1 1760514436 FVEZBOHONBIAOV-UHFFFAOYSA-N 442.568 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760552845 CGSLYLGBVPFTEW-SFHVURJKSA-N 433.578 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760553023 JKHCHEMMJLSXLN-ZDUSSCGKSA-N 438.941 1.261 30 10 IDEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760565302 TYIDZUZWIQGFBM-UHFFFAOYSA-N 431.570 1.190 30 10 IDEE Cc1cccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1761934874 PZCLWHPCXFYSQP-NVHPEQRVSA-N 437.504 1.789 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCO[C@H](C)C2)n1 1762458674 ICNGUCKPSSVYFQ-WOJBJXKFSA-N 442.568 1.369 30 10 IDEE COc1cc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1768307058 FTIRAJJOSMWFQE-HRAATJIYSA-N 431.468 1.652 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1771356205 ATZZTJTWEWFAAA-QGZVFWFLSA-N 442.545 1.356 30 10 IDEE O=C(O)CNC(=O)C[C@@H]1SC(=NN=Cc2ccccc2)N(c2ccc(O)cc2)C1=O 1772723135 LCSYHQSDRPNJIW-INIZCTEOSA-N 426.454 1.822 30 10 IDEE COc1ccc(Br)c(S(=O)(=O)NC(C)=NOCCN2CCN(C)CC2)c1 1853432385 TWUGWYAQJBDSMP-UHFFFAOYSA-N 449.371 1.333 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C(=O)C23CCCC3)c(F)c1 1856556234 PEKMCYWWMQJIGR-QGZVFWFLSA-N 433.505 1.616 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)CCOc1ccccc1 1857135884 ABBIVJSXADOLTM-INIZCTEOSA-N 427.482 1.640 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2C1=O 1870141130 BPWANKCRCPJETO-VMPITWQZSA-N 443.379 1.925 30 10 IDEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN(CC)CCO 1870329019 ZISMWBZMNFLWCE-UHFFFAOYSA-N 430.501 1.850 30 10 IDEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870630048 GAKUOZKPYRHUBB-UHFFFAOYSA-N 440.548 1.394 30 10 IDEE CN(C)CC#C[C@@H]1CCCN1C(=O)CN(C)c1nc2c(S(C)(=O)=O)cccc2s1 1890866337 KOMXKJNUGSDGME-OAHLLOKOSA-N 434.587 1.692 30 10 IDEE CC1(C)OB(c2cnc(NC(=O)C3CN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 1985103145 QVQSEOSMSVJRCE-UHFFFAOYSA-N 438.293 1.983 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124518738 BOWONKIULDLNEZ-LHSJRXKWSA-N 448.329 1.644 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cc(C#CCO)ccn1 2145935442 ATLOOUJKBMWOIO-UHFFFAOYSA-N 427.482 1.634 30 10 IDEE N#Cc1c(F)cc(Br)cc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2174809785 DPKRUBJDGFFPGY-APPZFPTMSA-N 437.191 1.819 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2248402999 ATHSLSSEBXFVTP-CYBMUJFWSA-N 440.371 1.858 30 10 IDEE C=C(CN(C)C(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2248434206 VRYTUOBTEIEKEB-AWEZNQCLSA-N 428.310 1.952 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CC2 2255629686 ZSDFBCIDFZOPBX-CQSZACIVSA-N 432.330 1.981 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)n1 2255659683 VVXQBYICLGRJPJ-UHFFFAOYSA-N 435.334 1.292 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255828219 REIAPLWXDDYAFG-PWSUYJOCSA-N 430.236 1.381 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1 2267113120 PLMWLCRWIZKALE-KBPBESRZSA-N 447.345 1.053 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)n1 2267504501 SWXOWORTSGYRKC-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2267516593 GPFPIRYIAWGQQH-LSDHHAIUSA-N 448.373 1.918 30 10 IDEE C[C@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1cscc1B1OC(C)(C)C(C)(C)O1 2277957674 ZIZDPRGCSIHYTM-LBPRGKRZSA-N 429.369 1.933 30 10 IDEE CC1(C)OB(c2ccc(CNS(=O)(=O)C3CC4(C3)OCCO4)c(F)c2)OC1(C)C 2295339268 GWTWFNSULKQCBM-UHFFFAOYSA-N 427.303 1.450 30 10 IDEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2317500975 AJYPSXBZUZEJCO-HUUCEWRRSA-N 435.330 1.203 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2317604839 FRUPHUMQRXHNIM-ZDUSSCGKSA-N 436.318 1.045 30 10 IDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322309545 UADKGWQZZYZUKQ-CQSZACIVSA-N 440.277 1.965 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334263655 YZWCIYDFBMGDCW-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2334529262 PDYYXTKCYWQTBG-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)O 2337286944 FZHRQANGSRYFKI-HOCLYGCPSA-N 443.309 1.508 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc(F)cc1 72444366 LAHOHBVVWIATSD-CABCVRRESA-N 425.420 1.476 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1 108666762 FGWUNKATMVZZIJ-UHFFFAOYSA-N 447.314 1.938 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1 253374173 LKBVACDIPRJLBY-GOSISDBHSA-N 427.530 1.893 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447268336 UXANUZLDNDUAIP-UHFFFAOYSA-N 430.480 1.745 30 10 IDEE CCCCn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 448488147 PGNYASRKNYVDKS-UHFFFAOYSA-N 444.517 1.026 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 460806816 YCLJEAQPCJUPOA-OAHLLOKOSA-N 431.566 1.871 30 10 IDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462087511 XWRWKPHYFKTAOF-UHFFFAOYSA-N 431.522 1.711 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1S(=O)(=O)N1CCCCC1 471936167 XKPGQDRLXSVQAC-SFHVURJKSA-N 427.548 1.473 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc(F)cc1 474349359 WYJMNDNNWHXRKT-UHFFFAOYSA-N 438.484 1.007 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 477684427 ZMVYLEMNXVSOCS-UHFFFAOYSA-N 434.587 1.633 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)nc1 478757571 YLWYUVHGFZEXBT-SJLPKXTDSA-N 439.537 1.291 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)c(F)c1 478858045 AVTCYQJJSUEUKD-UHFFFAOYSA-N 431.898 1.749 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 479998543 ASWDSFHXBSLEQZ-CQSZACIVSA-N 438.534 1.687 30 10 IDEE CC[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F 498856025 XDLPZQYCSDAVJF-DOTOQJQBSA-N 433.459 1.951 30 10 IDEE C[C@@H](C#N)CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CC1 532817232 AOKGXEFEINUSNH-AWEZNQCLSA-N 440.953 1.923 30 10 IDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 545463251 MKNWHQGARYXREL-HXUWFJFHSA-N 449.511 1.924 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](OCc4c(C)noc4C)C3)CC2)o1 547295130 WERRMKQJOYOFSX-KRWDZBQOSA-N 428.493 1.399 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCCO2)CC1 568003382 IIGZQBYJBRHYBY-LJQANCHMSA-N 425.537 1.333 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@@H]2CCCCO2)cn1 579569096 IYPWBUASUKRPOG-IBGZPJMESA-N 433.520 1.841 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)c1 603798949 PXGUXAHRPGWIIM-GOSISDBHSA-N 439.537 1.223 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccc(F)cc1 603923522 GEGCBCVUQSSURO-UHFFFAOYSA-N 437.452 1.074 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 611940124 SRXNKZNXUMTOHV-SFHVURJKSA-N 436.520 1.146 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccc(Cl)s3)CC2)c1=O 732466796 PNXVUNSASZYJCM-UHFFFAOYSA-N 437.953 1.034 30 10 IDEE COC(=O)CN1CCN(c2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732700284 OMYUCGWWFCYGLU-HXUWFJFHSA-N 426.521 1.186 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cn1 734601305 QSSLBZQWDRODRJ-JYRVWZFOSA-N 440.481 1.255 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)/C=C\c2cnccn2)CC1 740964586 CPFJIJKHIRLZAP-ARJAWSKDSA-N 434.412 1.501 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 742249962 DSLCFFBPVHNSAI-SGRLSNSRSA-N 432.908 1.746 30 10 IDEE CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 743239288 XDRDFTGZKPKISO-OAHLLOKOSA-N 426.926 1.967 30 10 IDEE CC(C)C(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754773272 TWIVCOJQVUSJJS-CQSZACIVSA-N 428.308 1.773 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN3C(=O)OCC[C@H]3C1)CCCC2 764443589 ZKYTZRCXPXQCRF-IRXDYDNUSA-N 441.532 1.883 30 10 IDEE C#CCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)[C@@H]1CCS(=O)(=O)C1 765009452 DIGWIXQWYPXOOG-GOSISDBHSA-N 448.541 1.018 30 10 IDEE CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767633064 VUEDXFSOFPIYBG-MRXNPFEDSA-N 429.498 1.817 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Cc4ccccc4CC#N)CC3)C2=O)n(C)n1 780559876 DIJMJOODSGKFCR-NRFANRHFSA-N 434.544 1.677 30 10 IDEE C[C@@H](CONC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 783662911 MIRYDQQGYBFANT-LBPRGKRZSA-N 426.495 1.076 30 10 IDEE C=CC[C@@]1(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 790581738 NGJZBVXPKBYSDX-QRWLVFNGSA-N 443.566 1.094 30 10 IDEE C[C@H](C(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)n1cnc(C#N)n1 798744526 UENHETQGHOPALM-ZBFHGGJFSA-N 425.445 1.779 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 802581102 OGLWCZLHFVCAET-GOSISDBHSA-N 428.493 1.484 30 10 IDEE C#CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 809960774 ZDBUTNWBXQJLOJ-ZDUSSCGKSA-N 434.255 1.822 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811230683 VEPDWXXRYIJWSR-PBHICJAKSA-N 436.534 1.598 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)Nc1ncccn1 821881836 CFZSZLBYOVOGOS-ZFWWWQNUSA-N 445.501 1.500 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 844254901 YVALEIHDWABACP-UHFFFAOYSA-N 428.452 1.954 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(C(=O)N(C)C)c3)cc2C1=O 853259729 PBQAAAAPYOPNIN-UHFFFAOYSA-N 435.436 1.966 30 10 IDEE C#C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1163599348 SBIDBUIHNPWBAH-SFHVURJKSA-N 447.557 1.180 30 10 IDEE C=CCn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCN(S(C)(=O)=O)CC1 1188621098 SJZOVUFUPNFSKU-UHFFFAOYSA-N 449.602 1.687 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1286297306 VOWPMTHLIHMZCG-PFRQMTDMSA-N 439.582 1.417 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1286386832 IDCIRVQFKKYRGS-CYBMUJFWSA-N 435.460 1.540 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1286491222 JDQSZTJWWRXOOD-UHFFFAOYSA-N 446.552 1.100 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCCOC)CC1 1286618937 JQSAJVBHTNNZMO-UHFFFAOYSA-N 426.949 1.538 30 10 IDEE CC(C)(C)c1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)on1 1287015874 YDBIHRBEGZFQFF-UKRRQHHQSA-N 434.522 1.243 30 10 IDEE CC(C)CN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1=O 1287749486 ONSFUCCRPJFDTA-OSCRUYLVSA-N 443.552 1.621 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)[C@@H](OCC)C[C@H]3O)s1 1293852381 JKLQCJVBCZUWOR-CVEARBPZSA-N 428.576 1.533 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1296231663 IVVRPOLFLIWSMD-QHCPKHFHSA-N 435.532 1.838 30 10 IDEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1300363266 XPIVCKRDTLUTRK-UHFFFAOYSA-N 442.564 1.247 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1300381693 IFTZAAMVAZMUEN-UHFFFAOYSA-N 436.516 1.596 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1300496697 UDNSWIXFRVBWMX-CABCVRRESA-N 432.493 1.428 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1300577796 BUDNNLDKZMQLOP-HXUWFJFHSA-N 426.542 1.838 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)N(C)CC)CC1 1300693470 YXUMVSZVVKBTBF-UHFFFAOYSA-N 445.365 1.941 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300990574 WIRZADXWXBMCDY-INIZCTEOSA-N 427.571 1.235 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1300990939 JHUVMIKBEULOIR-MSOLQXFVSA-N 440.552 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1301596037 FYWNTOMEIHSKSV-PXNSSMCTSA-N 442.582 1.535 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301617274 AWBAKBFORCMICY-HNNXBMFYSA-N 427.596 1.333 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1301809274 ORZPHCVBHXPUDR-XMSQKQJNSA-N 446.552 1.495 30 10 IDEE CN(CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)CCS(C)(=O)=O 1303238548 SJGHBSHRBBMXMD-UHFFFAOYSA-N 440.997 1.911 30 10 IDEE Cc1nc(CCn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)n[nH]1 1304684258 FALUXEYSKVIYRE-UHFFFAOYSA-N 437.556 1.386 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1305780582 JTQDFPCFVUORSP-IAGOWNOFSA-N 448.545 1.816 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCC[C@H]1C#N 1307994794 WRERBSPSHQPILF-YJBOKZPZSA-N 435.506 1.052 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC3(CC2)CO[C@@H](CNC(=O)OC(C)(C)C)C3)CC1 1308126864 PWMCXLFORXTGSR-LJQANCHMSA-N 434.581 1.160 30 10 IDEE COc1cc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 1313115393 BBJCLIPNSOEYOU-UHFFFAOYSA-N 429.502 1.220 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1314490564 SRYQGYWWENGHNM-QGZVFWFLSA-N 433.534 1.779 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1314639408 SQIALTCWBALWBO-UHFFFAOYSA-N 449.475 1.851 30 10 IDEE N#CCOc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1322809156 VLICSDSXEMOVJY-UHOSZYNNSA-N 433.530 1.315 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cccnc1-n1cc(Br)cn1 1352234397 BBCCHYUJXFAWIS-UHFFFAOYSA-N 443.265 1.713 30 10 IDEE CN1C[C@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)N(C(=O)OC(C)(C)C)CC1=O 1354680620 JDSBTTSLARBLGA-MRXNPFEDSA-N 439.476 1.214 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1358874224 UWFQTAPLFBDIDW-OXQOHEQNSA-N 426.583 1.990 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCc1ccco1 1359074509 GWNHFFVTOJLVPD-XWFZLUIHSA-N 427.505 1.904 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1359133496 SXFQCHCMFVHJKK-FXAWDEMLSA-N 441.598 1.830 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1359308272 JHLQQJUKHWXJGB-HKUYNNGSSA-N 443.529 1.522 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)s1 1447580841 DITDFLPJFOVXPJ-GOSISDBHSA-N 449.598 1.638 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)CCCOC1 1450467646 FVXFUHAZXJUUJH-JOCHJYFZSA-N 429.521 1.923 30 10 IDEE C#CCC1(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CCOCC1 1473808723 LBGZGNBZGIXWCS-UHFFFAOYSA-N 449.573 1.970 30 10 IDEE C=CCCCN(CC)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1475838724 LHFOVGNIYRYIRX-INIZCTEOSA-N 429.564 1.972 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4Cl)C3)C2)c(=O)nc1O 1478563470 IAOJOLKSCHYEIM-ZDUSSCGKSA-N 449.298 1.973 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cs1 1492674844 ISVRCFISIFUKPR-KSSFIOAISA-N 438.554 1.901 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cs1 1492681831 IEMLMZIJQPDAJL-HOTGVXAUSA-N 436.563 1.330 30 10 IDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1494603682 UVIZXHQZXLAZKN-IEBWSBKVSA-N 426.521 1.675 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1495541471 WNRBABZRFMKFBE-WVCJAJDESA-N 437.504 1.981 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1502393565 NESKGNKGNYXXSN-HRAATJIYSA-N 434.541 1.210 30 10 IDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1503123450 MRUOUAHJQBWVBK-SFHVURJKSA-N 448.549 1.203 30 10 IDEE CN(CC(F)(F)F)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503452536 GSPJWRFXAZTSSA-WUKNDPDISA-N 435.410 1.789 30 10 IDEE C[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1505287143 LYSQJCVRHWHCAY-HNNXBMFYSA-N 441.517 1.247 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)NC 1507523441 LUGZGIVBRPMFOS-OAHLLOKOSA-N 435.550 1.748 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC1CCCCC1 1507644600 KZCBZUUDUGSLAI-UHFFFAOYSA-N 443.515 1.443 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1507654257 CENVOJUVGQHFFD-IBGZPJMESA-N 434.500 1.535 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1507745975 HVSPCXMCAIMRAM-LVQVYYBASA-N 427.596 1.116 30 10 IDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC#C)CC1 1507749109 PJUKGIOFDBGYBZ-UHFFFAOYSA-N 433.545 1.042 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507757173 QAGHLRJBIXYNSV-MJGOQNOKSA-N 434.610 1.170 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1507774484 HNIHFXSLIAHKKF-UHFFFAOYSA-N 447.341 1.539 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCO[C@@H]1C 1508039678 PGGKBVLFVQOLDT-WVBUVRCRSA-N 430.505 1.969 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@@H](C(C)C)C1 1508085168 FZZBEDJFNZUGBX-MRXNPFEDSA-N 432.550 1.886 30 10 IDEE CC(C)=CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508742289 TVVYPOFZMGOTNM-CQSZACIVSA-N 445.549 1.780 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1509787743 FAEZTRGEPXEJDI-GOSISDBHSA-N 432.550 1.965 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1516021334 DAYKKWASHFBYOL-MJGOQNOKSA-N 444.561 1.761 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1-c1ccc(OC(F)F)cc1 1538539513 IPIAAFWEEPGTMM-SGTLLEGYSA-N 437.428 1.188 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539062954 IGVMQNOFBJFNAC-UHFFFAOYSA-N 447.547 1.919 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1539131969 ASBMCCBORFCODC-NHCUHLMSSA-N 441.624 1.809 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539200549 KJJMNBGKDXGKSW-PKOBYXMFSA-N 443.573 1.847 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539359702 OSFDWVXKXBLSGO-NRFANRHFSA-N 448.545 1.362 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)C2CC2)CC1 1539434604 PKEIHVNMJCKXBP-IBGZPJMESA-N 433.354 1.952 30 10 IDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539514193 OYXDUHQKLIPVCK-MRXNPFEDSA-N 428.566 1.834 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539517476 ONVBETJEEILBKL-CRAIPNDOSA-N 448.570 1.780 30 10 IDEE C=C(C)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539723046 NFOHQJQEULTVGM-FGTMMUONSA-N 448.568 1.966 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCS(=O)(=O)CC2)C1 1540895728 YEIVYVUXBDUAMH-IBGZPJMESA-N 448.593 1.746 30 10 IDEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCNC(=O)C(C)C 1543308729 ISJPLZMKBYQMHM-UHFFFAOYSA-N 426.525 1.813 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N(CCC#N)Cc2cccnc2)C1 1544094386 SGQMGLYKTPTHPI-QGZVFWFLSA-N 436.534 1.748 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1544630382 IHEZKMFMYDJWPU-XHSDSOJGSA-N 435.546 1.589 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1548335578 QNWGHCFSFGKMDW-QGZVFWFLSA-N 434.522 1.012 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1554500875 IDSZFFAMMCEJFR-INIZCTEOSA-N 439.501 1.025 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1 1557658930 RIIMFELNMLTIDQ-QFYYESIMSA-N 427.404 1.492 30 10 IDEE N#Cc1cccc2[nH]cc(C(=O)N3CCC(NS(=O)(=O)NCC(F)(F)F)CC3)c12 1567789754 RFXLXCYFBAFUOJ-UHFFFAOYSA-N 429.424 1.630 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1F 1587295845 AJAWKVUJDDHEHE-IBGZPJMESA-N 437.449 1.836 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCSC 1587639007 IWGRIGPPXFKFAJ-JKSUJKDBSA-N 429.612 1.602 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1588138420 CIKLFLZQTNQAAR-OFNKIYASSA-N 448.571 1.889 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588780458 QREMPMULSHWNHW-SBUREZEXSA-N 441.532 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1588946887 IJVUDYUHNMCPII-QGZVFWFLSA-N 435.594 1.267 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1594733807 YPYUQJHKDSTUJX-KRWDZBQOSA-N 449.581 1.550 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595506846 NXCWWJKGAJRTRW-IBGZPJMESA-N 431.884 1.327 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595545500 XZPOREYXKJJOTO-HNNXBMFYSA-N 434.541 1.578 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1597321647 BNPFQIJTWJLIAO-QFIPXVFZSA-N 425.537 1.611 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1611286082 CYUSNSHLPDUANQ-NVXWUHKLSA-N 441.511 1.736 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)ccc1F 1616746889 AQFJUIQGJCUWMV-VOMKJEOTSA-N 426.510 1.992 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(O)cc1 1616922639 HMJPSFWAXPAGCY-INIZCTEOSA-N 434.504 1.945 30 10 IDEE C[C@H](NC(=O)CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(=O)N(C)C 1620633159 JHJZQYVCHLVELV-XHNCKOQMSA-N 425.320 1.682 30 10 IDEE C[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCS1(=O)=O 1625105035 AVPQKLSDIPJVAP-OXJONJSCSA-N 425.551 1.809 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(O[C@@H]4CCOC4)CC3)C2=O)cc1 1626172698 XNGYRSIPMFLLTM-MOPGFXCFSA-N 426.473 1.560 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2 1626685228 KRCGWTWAZCLCQL-VFCRVFHLSA-N 431.876 1.603 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)cc1 1640058033 MQCBYSPOOPEOGK-HXUWFJFHSA-N 438.459 1.741 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(I)ccc1N1CCOCC1 1641520742 FOIPBSSPNOLGHE-CYBMUJFWSA-N 445.257 1.238 30 10 IDEE COc1cccc([C@H](O)C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1642115560 OLFVYJHJAURJJA-OAQYLSRUSA-N 443.525 1.706 30 10 IDEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1643329890 CBFDVKRGHLATSK-CQSZACIVSA-N 435.527 1.460 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c1 1643558072 TXQMAJDFILVLJI-UHFFFAOYSA-N 428.518 1.774 30 10 IDEE CCCCCC[C@@](O)(CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1652861497 FBLCWNWBRUHPPJ-OAQYLSRUSA-N 437.562 1.739 30 10 IDEE CCN1[C@@H](C)CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1C 1654071646 JUNFHAJQUOXTAQ-CALCHBBNSA-N 426.521 1.869 30 10 IDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NC(C)(C)Cc3ccc(C#N)cc3)ccc21 1654829050 QQLOOYDSKKUIOY-UHFFFAOYSA-N 434.500 2.000 30 10 IDEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 1654838772 ZRIVVJLMEFZBPM-UHFFFAOYSA-N 447.601 1.411 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2C(=O)NCC(F)F)CC1 1658673788 APGBEJUXIYXNJU-JKSUJKDBSA-N 439.532 1.693 30 10 IDEE C#CCN(C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C)[C@H]1CCS(=O)(=O)C1 1670645085 PFBCWVQODMZKKC-INIZCTEOSA-N 434.518 1.053 30 10 IDEE COc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(S(C)(=O)=O)c1 1671477164 BXXNFUFKLQVGNV-CYBMUJFWSA-N 430.490 1.503 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC/C=C\c2ccc(Br)cc2)CC1 1673025356 SYAQLZSJXKOMSQ-ARJAWSKDSA-N 441.351 1.257 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(OC)cccc2OC(F)(F)F)CC1 1679973252 GVBJIMUBGAMGJW-UHFFFAOYSA-N 436.412 1.211 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 1683561523 WNEGAYRWTWAGTD-UXHICEINSA-N 441.532 1.232 30 10 IDEE O=C(CN1CCN(C(=O)NCC#CCO)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 1683602309 KRLPWSLRCFBTEC-UHFFFAOYSA-N 432.830 1.620 30 10 IDEE C#CC1(O)CCN(C(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)CC1 1684833864 XBFJUWGYOLFPGE-UHFFFAOYSA-N 429.498 1.947 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCSCC1 1689846724 MYNYLVHYCACHID-MRXNPFEDSA-N 447.634 1.745 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689977817 DLBWXTYAMHWFQW-IBGZPJMESA-N 441.557 1.756 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1689989050 AQCDVEXCIRZJIG-SJORKVTESA-N 426.608 1.942 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690169625 JAOSOWYEAZGZED-AWEZNQCLSA-N 425.522 1.172 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1)C1CC1 1690545624 VOFKZNQAFCXHOH-KXBFYZLASA-N 425.624 1.772 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2(=O)=O)C1 1690684427 FSZMLLRYFWACKS-JKSUJKDBSA-N 425.555 1.165 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(CC)C1 1690724476 PUOMSRWDZNVAOR-CRAIPNDOSA-N 430.596 1.407 30 10 IDEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1691579278 CCFDNUYRUWGQFP-SFTDATJTSA-N 435.532 1.902 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1698005393 HVWORJDVWYLITF-QGZVFWFLSA-N 425.493 1.321 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCOCC2)c1 1698293558 HNBHCFVUFWJLKK-UHFFFAOYSA-N 445.545 1.630 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CCCC2)nnc1N1CCS(=O)CC1 1698520018 BBGPOSPYJIWGHS-VHEBQXMUSA-N 432.550 1.106 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1705476487 AVTGLQUNGXRFLW-CVEARBPZSA-N 446.577 1.291 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705567467 WNSDLPRFVHBEFY-HZPDHXFCSA-N 435.575 1.530 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1705598389 INEMFYVUYAKNKU-OAQYLSRUSA-N 434.544 1.915 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@@H]1C 1705629550 MBCBRWREKQAJIE-IBGZPJMESA-N 437.548 1.323 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC(C)C)CC1 1705634528 ZUWKEZUOWMXFBE-UHFFFAOYSA-N 445.589 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1705635235 UPADXPFIWOMHDY-CVDCTZTESA-N 431.581 1.889 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705786102 GIRGAUJSVHTXGC-GUXCAODWSA-N 441.598 1.875 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1705844224 XYGPGUBCSYRYRY-ROUUACIJSA-N 440.614 1.354 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(N)=O)C1 1705896835 ZYYRFJIDAFZRNV-JTQLQIEISA-N 439.339 1.383 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705905000 FWHDSQYDDRXZQS-LJQANCHMSA-N 439.495 1.412 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705909506 ZJPVNKSSMWUXQV-ZWKOTPCHSA-N 428.541 1.557 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1708151349 DNUWTWOTNAFSCT-IAGOWNOFSA-N 437.548 1.878 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1708278558 HPMGJGRGUUUSMN-CECAUBDESA-N 427.505 1.741 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(C)CN(C)C1=O 1710731707 CRQGOBFTFPCUEY-JOCHJYFZSA-N 441.511 1.630 30 10 IDEE CCOCc1nnc(N2CCS[C@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710754404 HJSCNTDCFKHVJB-NXDJFEHLSA-N 434.566 1.919 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1711203913 REBFNHZDLARULI-UHFFFAOYSA-N 444.561 1.733 30 10 IDEE COCCN(CCC#N)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1712453984 FMFQTMVZLIAAJO-MRXNPFEDSA-N 426.587 1.515 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722307823 BCFCMENLXILFDT-DLBZAZTESA-N 438.598 1.385 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1722363264 ZRVPWDCRWOPYPL-WFXMLNOXSA-N 446.577 1.653 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722428692 IYFJGSALKVZKFL-QUCCMNQESA-N 440.548 1.536 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(C)nn(C)c2C)CC1 1722429584 OIQAHXZAQCGQQH-UHFFFAOYSA-N 426.569 1.350 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2nccn2C(F)F)CC1 1722446061 LHZVVOLRKXQZNE-UHFFFAOYSA-N 440.458 1.946 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2c(CC)nn(C)c2OC)CC1 1722450366 FWMBGGRJOBMLBF-UHFFFAOYSA-N 443.552 1.133 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1722503295 CCWOSQNKXPTMDF-HBFSDRIKSA-N 438.532 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1722511036 XYZQUKYLQIHMHQ-GGPKGHCWSA-N 433.553 1.796 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1722618197 PXNWHLADPJUGFX-CQSZACIVSA-N 426.568 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCOC2(CCOCC2)C1 1722730185 KUKOWBGSAODNCN-UHFFFAOYSA-N 438.594 1.997 30 10 IDEE Cc1cc(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)n(C)n1 1725837282 CTMHWUWWXFGHLR-QGZVFWFLSA-N 434.552 1.944 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(C)CN(C)C1=O 1727013476 UGWCLDAPSVCDTK-DMPWYTOCSA-N 437.552 1.647 30 10 IDEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1728089377 YYQDNZDRDMCSHI-UHFFFAOYSA-N 433.534 1.780 30 10 IDEE CCCNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728191931 FVKYFGFRPKZKFB-UHFFFAOYSA-N 446.515 1.715 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1740644914 YNISAOMQNDQIJM-XXBNENTESA-N 427.549 1.998 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740683710 MZOJVIKMVVOJDQ-QFIPXVFZSA-N 449.559 1.838 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](F)COC)CC1 1740706920 IMWVDSXQSVGKRG-SFHVURJKSA-N 431.487 1.958 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOCCS(C)(=O)=O)CC1 1740824632 PTVCKRWSYKNAFO-FQEVSTJZSA-N 442.582 1.536 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740844136 WOWURLVLYYDZFR-PMPSAXMXSA-N 429.587 1.731 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740880315 DUCKHXWGRCZPTK-ZWKOTPCHSA-N 442.520 1.902 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1740926059 QPLZWZACMVBSAI-HOTGVXAUSA-N 425.555 1.610 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740961116 MIKGPIDWKXNCMO-INIZCTEOSA-N 446.502 1.754 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](N1CCOCC1)C(F)(F)F 1741123386 ARFGMEWFOYAIKW-KBPBESRZSA-N 431.463 1.275 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1741130570 AEXQYPYUHKDCIM-HUUCEWRRSA-N 440.570 1.691 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1748081565 CWUVZVLVAJKEBT-CQSZACIVSA-N 436.520 1.703 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC(C)C)cc(OC)c1OC 1748524246 HFCVPFJHTPHKMZ-OAHLLOKOSA-N 444.492 1.224 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)C(C)(C)C 1748784423 MYICQQGQXZKYQZ-PMERELPUSA-N 426.546 1.809 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@](C)=O)CC1 1748831796 YFCXGAFECVMICX-HKBQPEDESA-N 442.541 1.955 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1748922595 DRYZHWNUZAJFNJ-DEOSSOPVSA-N 449.559 1.762 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749031831 KIAXIWZUCDOLNQ-MRXNPFEDSA-N 425.518 1.179 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1749125827 YKSFDKCWZZHTMZ-UZLBHIALSA-N 426.521 1.792 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749489386 VEVDJCBWLWDPEK-HNNXBMFYSA-N 425.555 1.669 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749652321 LJIJUCRQFFJHSP-GJZGRUSLSA-N 430.484 1.526 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCc1ccco1 1750735477 HCWULZQJJBZVFL-UHFFFAOYSA-N 435.488 1.921 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760131673 XPEFJJOTOOGINZ-DLBZAZTESA-N 447.561 1.968 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(CS(C)(=O)=O)CC1 1760165908 KKJUUBNNHIQUSW-UHFFFAOYSA-N 426.340 1.930 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1760189207 SMEQYNISYYDCQI-IAGOWNOFSA-N 447.948 1.558 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCc1cnn(C)n1 1760200577 NZZDTVJGKUTBLA-UHFFFAOYSA-N 425.500 1.965 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCCCO)CC1 1760260330 OOLJTGFTPFXASD-UHFFFAOYSA-N 449.559 1.500 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1760329701 HWTWNSFLINXSNK-MRXNPFEDSA-N 428.603 1.402 30 10 IDEE C=C(C)Cn1c(N(C)CCNS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760349202 DFSJQGMUXPGJJH-GASCZTMLSA-N 442.586 1.610 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1760349597 RBOUANUNYYPXHP-PGRDOPGGSA-N 432.569 1.249 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760517649 UDORGCXZRVJCTL-QGZVFWFLSA-N 438.532 1.751 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760520798 ZWALQRXHOTZYKD-UHFFFAOYSA-N 445.483 1.791 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760521913 HIEVRXAALZNNEP-PKOBYXMFSA-N 444.580 1.559 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1760527152 NUOZEKXLUVFWLE-GOSISDBHSA-N 442.495 1.420 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760534458 YZIKMEJENZMWNE-WZONZLPQSA-N 441.532 1.855 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1763125271 NMSPQLXREMLQLK-GFBZJKCLSA-N 432.550 1.988 30 10 IDEE CCOCc1nnc(N2CCc3sccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767863305 FGTWKKDUGBLJQC-VHEBQXMUSA-N 428.518 1.965 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1769094045 BCJQOBOQNGHTNP-IBGZPJMESA-N 448.531 1.691 30 10 IDEE COCCN(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771076691 OQQFSWSRPHFUTE-UYAOXDASSA-N 431.585 1.317 30 10 IDEE C=CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c1c(F)cccc1F)[C@@H]1CCN(C)C1=O 1849208476 SDVYTSZGRGIKHN-DLBZAZTESA-N 443.516 1.903 30 10 IDEE C[C@@H](C(=O)NCC#CCN(C)Cc1ccccc1)N1C(=O)c2ccccc2S1(=O)=O 1849986842 UCQPOHUOBDQYOU-KRWDZBQOSA-N 425.510 1.471 30 10 IDEE N#Cc1cc2c(cc1CC(=O)O[C@H]1C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C1)OCO2 1853241633 ZMNCUVCNRUTJLX-OALUTQOASA-N 447.447 1.385 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)C(=O)C12CCCC2 1854403641 HCFJNVUHSABJDN-UHFFFAOYSA-N 425.894 1.556 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)C(C)C)C3(CCCCC3)C2=O)CC1=O 1856471358 OMESIRPEBDAPLY-INIZCTEOSA-N 425.551 1.133 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1CC(=O)N(C)C1 1857019202 OGXPKMPJEFQEMC-JKSUJKDBSA-N 431.514 1.310 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866590382 YXFBULJJIYRXKS-YLJYHZDGSA-N 441.509 1.755 30 10 IDEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870516134 ATRAWALNOXWAMK-UHFFFAOYSA-N 434.537 1.604 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(N(C)C(C)=O)c3)CC2)CC1 1890495316 ZYZQFDYPEOVUEY-UHFFFAOYSA-N 440.588 1.931 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)c2cccn(Cc3ccccn3)c2=O)CC1 1891443790 PCBLYFJIUVMKKF-UHFFFAOYSA-N 430.468 1.884 30 10 IDEE C#CCO[C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 1891838782 WXTBOEJGBDGKMC-AZUAARDMSA-N 433.530 1.439 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1896039551 PELFNKMNKLTZMP-KFWWJZLASA-N 426.514 1.670 30 10 IDEE C[C@H](C#CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)NC(=O)OC(C)(C)C 1902007664 TYLPWMMTRFKNKF-OWCLPIDISA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@](O)(Cn2cc(Br)cc(C#N)c2=O)C1 2100532776 ZWPIFOLDXZLURU-QGZVFWFLSA-N 428.283 1.481 30 10 IDEE Cc1cc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)sc1C#CCCO 2202306489 VCZMHOFKAGNHNY-UHFFFAOYSA-N 446.550 1.896 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2255539915 GITJARBHAVSTSC-GJZGRUSLSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255594785 FEWDTJWIJOGBPL-YEJXKQKISA-N 432.330 1.838 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C 2255695326 ZOHYHECGGVOVNL-UHFFFAOYSA-N 445.276 1.004 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255827430 KADBWHHLSLIGIE-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)n1 2267176576 BTZICXRWRYYQFY-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267545192 FTOCSNNISJFBKY-KBPBESRZSA-N 449.361 1.490 30 10 IDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267553301 YJUGTHLGQANPRZ-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE CN1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267554157 WSYOHZWWYMGBJD-OAHLLOKOSA-N 449.357 1.860 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(Cc2ccccc2)C1 2267580947 LZXQXRAJHVQKAL-SJLPKXTDSA-N 439.369 1.755 30 10 IDEE CC[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267603945 BSQSCGXNWLUPCM-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE C[C@@H](F)[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284399100 GKIJTWJCBOCKMA-XCBNKYQSSA-N 427.712 1.790 30 10 IDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331564890 CEPADVLRSXLDDH-UHFFFAOYSA-N 437.522 1.951 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2334264774 MOOGLHWTHQWSJX-FVQBIDKESA-N 444.341 1.904 30 10 IDEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 20292378 RSUBQWBUWYRCKD-UFWORHAWSA-N 444.433 1.488 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 326612326 NMAORZNHUJGDHC-UHFFFAOYSA-N 436.759 1.711 30 10 IDEE Cn1cc(C#N)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 433525760 QWROMPYNTYGLLT-UHFFFAOYSA-N 443.529 1.770 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)CC1 437550366 RBADFVFOGSBYPQ-UHFFFAOYSA-N 448.999 1.934 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@H]4CC[C@H]3[C@@H](C(=O)OC)[C@@H]4C(=O)OC)cc2C1=O 439816300 XGTIWIQJEYAMSR-MWDXBVQZSA-N 426.425 1.034 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 472803813 LBFGUJYRFDOZHN-UHFFFAOYSA-N 441.576 1.097 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(F)c1 478151129 TVBVKZUTFQADDT-UHFFFAOYSA-N 437.518 1.675 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)c1 478755650 ODLDGDPUNVBXQO-OALUTQOASA-N 438.549 1.896 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1F 488765188 VYXQJUYBMVQUFR-UHFFFAOYSA-N 434.468 1.854 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506641539 GFYRXJLUFMVJRM-UXHICEINSA-N 428.581 1.431 30 10 IDEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1 507510562 XGHIHNQURLPLCC-UHFFFAOYSA-N 436.497 1.936 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 508825842 GPAUEFQYCWUDLO-MRXNPFEDSA-N 427.571 1.581 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 518290243 DUVOPUNSNPZDEQ-UHFFFAOYSA-N 440.592 1.718 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCO3)c1=O 523734026 PNGSJTACKMQHKT-UHFFFAOYSA-N 426.494 1.547 30 10 IDEE COCCNC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 543887914 NQMXJFKTIQZENM-UHFFFAOYSA-N 445.911 1.309 30 10 IDEE CC(C)N1C(=O)C[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 557994646 SDDCMGZNUHLJEH-MAUKXSAKSA-N 433.875 1.992 30 10 IDEE COc1ccc(Cl)cc1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 564311968 SBKSOUDGNSQCHL-SFHVURJKSA-N 440.887 1.754 30 10 IDEE N#Cc1ccncc1N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 575065138 JNGFXDIHYSIKIN-UHFFFAOYSA-N 437.525 1.690 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)[C@H](CC)C(=O)OCCOCC)cc21 586315038 UFZOTQFWPFSQBM-QTEAWJPNSA-N 437.514 1.888 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CN2CCCN1CC2 588830358 XZRJXOWUXFMIFA-OAHLLOKOSA-N 437.338 1.604 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732698337 XQKIPKAJANKLJI-QIDKZVQTSA-N 430.534 1.703 30 10 IDEE C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 732705583 CWFIEGNGWLGBIW-SCTDSRPQSA-N 437.544 1.942 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(c2ccccc2)C1=O 733992914 OKECXOGKIYYQLT-GOSISDBHSA-N 440.525 1.817 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1 740745626 HMPFEAXRBSZNDA-UHFFFAOYSA-N 430.516 1.998 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N([C@@H]2CCOC2)C1=O 751693322 SXFYULRUABDYDZ-WBVHZDCISA-N 449.964 2.000 30 10 IDEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 752150813 QKDWJRIKRVVDQA-AWEZNQCLSA-N 439.331 1.615 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccccc3)c2=O)cn1 772276842 OGMVCADOZLSBCE-UHFFFAOYSA-N 433.537 1.530 30 10 IDEE C#CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774194475 GIOLLBDSBQDLBD-OALUTQOASA-N 439.965 1.545 30 10 IDEE C[C@H](c1ncn(C)n1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 780310070 BJDWIDXFHGKWBJ-CZUORRHYSA-N 447.540 1.715 30 10 IDEE Cc1cc(Br)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1[N+](=O)[O-] 784701659 FWBATPOUJVPCJZ-LBPRGKRZSA-N 436.266 1.803 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCc3ncccc3S(C)(=O)=O)ccc2c1=O 787714522 XSOPAQMDXFYAEC-UHFFFAOYSA-N 430.511 1.600 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2C[C@H]2C2CC2)C1=O 797426823 NWRQEOUJJALZSF-SCMQRROVSA-N 436.559 1.069 30 10 IDEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 798362919 NYCQFUJNUZIHAY-AXGZSLOOSA-N 429.590 1.650 30 10 IDEE CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 799796408 BQBZPEIGUCVWDL-VXPUYCOJSA-N 434.518 1.928 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cnn(C)n2)C1=O 807931633 HSJBBIAVRUNDAJ-INIZCTEOSA-N 449.968 1.668 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 814613656 HOTNFYBXVXWBNA-UHFFFAOYSA-N 432.483 1.886 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(CN2CCOCC2)C1 816713556 UHDIKBXLELIACE-UHFFFAOYSA-N 434.562 1.076 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C[C@@H]3CCCO3)c2=O)cn1 837851412 VUHKUMUWQLCSFZ-KRWDZBQOSA-N 438.484 1.347 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@@H]3CSC[C@@H]3O)C(=O)[C@]12C 1076000492 ZLCUAISAQVPXBL-FKIXHXAJSA-N 445.493 1.635 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)s1 1158049383 VXDGCEALADBNIV-UHFFFAOYSA-N 432.520 1.936 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1177759207 LZMSAYVIGNYWOS-OXQOHEQNSA-N 447.333 1.430 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(Br)cc2C#N)c1=O 1189869423 WBGNAHIWDZOUQT-UHFFFAOYSA-N 445.273 1.906 30 10 IDEE C=CCCn1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nn1 1264243129 WXQBIPUWFRARKN-UHFFFAOYSA-N 425.898 1.781 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(C[C@H]3CCOC3)nn2)cc1 1264645409 QHGSDDJRPWIPMT-ZLFSKHNOSA-N 432.506 1.380 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CSCN2C(=O)OCC)c1 1264809705 RDKGFZAVCFPXER-GOSISDBHSA-N 431.514 1.391 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1286382444 JFSWBMHZHDSLMU-UTKZUKDTSA-N 438.594 1.993 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC[C@H]2CCOC2)CC1 1286638131 VHWVRFSLVUOGKI-IAGOWNOFSA-N 427.571 1.488 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286790765 OSHSCUNHYSSEGS-JKSUJKDBSA-N 445.593 1.491 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)CC)C1 1286813047 WADRULIKUDNWQF-INIZCTEOSA-N 425.580 1.850 30 10 IDEE Cc1ncc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)s1 1290489286 NUKWNAVMBOUGGO-UHFFFAOYSA-N 438.517 1.765 30 10 IDEE CC(C)(C)OC(=O)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 1290636055 HIHXUROWEDPJJI-SFHVURJKSA-N 433.530 1.759 30 10 IDEE COCCCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1292176369 MPELKQZPZLOWQX-SFHVURJKSA-N 442.578 1.689 30 10 IDEE CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCN(O)C3=O)c2)cc1 1298426364 PPWGIOYXGPPXDJ-LJQANCHMSA-N 447.513 1.939 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@H]1C 1300282256 GPKGELMQEAYDHJ-CKJXQJPGSA-N 447.561 1.193 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)C 1300441537 RBMSJGBQJRZCMM-UHFFFAOYSA-N 432.550 1.180 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1300491292 GIOWZYTZYQVKPS-SJLPKXTDSA-N 445.520 1.352 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1300512110 GXBFBDXWEFAWRB-UHFFFAOYSA-N 441.337 1.880 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(CCC)C2)CC1 1300681954 FTACMOOTZOGSIR-IBGZPJMESA-N 436.564 1.413 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccn(C)n2)CC1 1300726093 LWDOTXBKQBKIKN-SFHVURJKSA-N 425.537 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1301596801 ZERMKBMSBTZNSA-APWZRJJASA-N 444.623 1.863 30 10 IDEE CC(C)CN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1303191284 XIAOILFYDNOQFH-XUTLUUPISA-N 427.553 1.850 30 10 IDEE CCCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1306686553 FVDPATLKDQNFIY-UHFFFAOYSA-N 425.537 1.739 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1306908328 OXSOXXKTCAPIRB-PVAVHDDUSA-N 434.518 1.493 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CS(C)(=O)=O)C2)n(-c2cccc(F)c2)c1C 1308116505 GFTOXSOFDTZNCU-GOSISDBHSA-N 448.520 1.789 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1316297217 IBWWNKJDEXVSHF-CXQPBAHBSA-N 432.569 1.851 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@@H]2COCCO2)c1 1316528976 KWOXRABWZMTQSA-LJQANCHMSA-N 440.504 1.093 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCS(C)(=O)=O 1358968643 TZLZOVRMEYDBPV-UHFFFAOYSA-N 427.530 1.655 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1358973728 CWDKSVMQRCPHOH-UHFFFAOYSA-N 430.468 1.577 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2C)CCO1 1359446617 FPMUCFZXMFYWNA-MAODMQOUSA-N 438.532 1.831 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1359752694 WPZVLNAQYPEAKR-RYKSPBIKSA-N 444.536 1.907 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C1 1360784518 GNIKMCVNZLVYHQ-APWZRJJASA-N 434.522 1.382 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](C#N)CO 1449520589 NYGMDVNMBVNTTG-PWSUYJOCSA-N 426.347 1.394 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2cc(O)n[nH]2)C1 1452729650 RUFRDNRLWLEQQO-BBRMVZONSA-N 431.518 1.585 30 10 IDEE CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1453518779 SMHDWQJAODBWMA-JKSUJKDBSA-N 447.540 1.417 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)c1 1457934398 ODDOWEZWLKPWKT-UHFFFAOYSA-N 431.905 1.875 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cc(Br)cnc1OC)c1cc[nH]n1 1470195092 PFKYULNFPLVSOO-UHFFFAOYSA-N 440.254 1.176 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H](O)c2ccccc21 1473851177 YLNORXGCOWSZHB-MUMXORNYSA-N 433.530 1.714 30 10 IDEE CCn1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1=O 1502236681 CINFNPSMPIKLFL-XMSQKQJNSA-N 442.520 1.277 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1504955294 QTOGSDOLKQUEKR-WBVHZDCISA-N 425.555 1.709 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1507678627 AVJVVVDYMNQQDE-SJORKVTESA-N 434.566 1.778 30 10 IDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507970620 LQJGHGVZISNMGJ-FQEVSTJZSA-N 428.518 1.507 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1507971196 JOXJLMFFMAQHHG-UHFFFAOYSA-N 426.855 1.865 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(O)CC1 1507978421 MPMDAKICDCHBHU-UHFFFAOYSA-N 447.609 1.707 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1508075930 QREUJDBPLBTILK-RTBURBONSA-N 445.612 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1508135755 APZTWOABCMBIEY-UHFFFAOYSA-N 448.593 1.625 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1508146446 XTNTVCOIOZEYIJ-IBGZPJMESA-N 438.642 1.294 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1508666639 ZXXADNLGQUDUTJ-OAHLLOKOSA-N 433.513 1.044 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1524723909 GHWJODSHCGOBSQ-QTCYRWPVSA-N 443.891 1.401 30 10 IDEE CN(C)c1ccnc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1535015558 FGRIBGDOPCYSOU-UHFFFAOYSA-N 427.530 1.736 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1538975729 CQXJZXJEEOLJLL-JTSKRJEESA-N 446.573 1.981 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1539211653 NAFMZWQPHVDZFF-KRWDZBQOSA-N 427.530 1.182 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539445920 KMULZIANGOIPMP-DLBZAZTESA-N 445.568 1.240 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1539446587 GUDJQKDWBGYMOS-LJQANCHMSA-N 425.533 1.993 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1539500490 YKBCLTAQSXABQC-KRWDZBQOSA-N 449.602 1.787 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1539526495 KZVZSGOGRBAKMM-SFHVURJKSA-N 443.573 1.753 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1539731291 ZKQASSXURPPIKM-ZWKOTPCHSA-N 440.614 1.546 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539868616 KTYFYGPFANWRND-CZIZESTLSA-N 439.520 1.443 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccco2)CC1 1539874889 QZCNPFNSIQRISJ-AWEZNQCLSA-N 436.538 1.314 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1540857444 XOZQPUXCQLCZPI-KRWDZBQOSA-N 430.534 1.067 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1540875625 RWRGEAKZYXBGEK-HNNXBMFYSA-N 444.561 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1540904833 ORZKQXCQBVTWCO-INIZCTEOSA-N 438.598 1.508 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1540905240 RUYMESBMUNXEOM-QGZVFWFLSA-N 449.552 1.849 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540916803 HEDYZCQTONAAMQ-OAGGEKHMSA-N 439.607 1.347 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1541720467 CRXPTMJTRPJFFG-FCHUYYIVSA-N 432.569 1.515 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)s1 1543087003 SWYJVWCWKZAZLI-UHFFFAOYSA-N 448.526 1.792 30 10 IDEE CN(CC1CC(F)C1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1554210525 CIAVJLRIEAWSFR-QZQOTICOSA-N 439.495 1.975 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555806372 DJRYQSVASKHHLH-MRXNPFEDSA-N 448.524 1.164 30 10 IDEE C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1559032793 IPGPONZMXKLYEI-CYBMUJFWSA-N 435.440 1.585 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 1561587725 FXGKULJYPJEFQS-UHFFFAOYSA-N 440.469 1.126 30 10 IDEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1568551821 UPEMCDIIISALRP-KRWDZBQOSA-N 438.550 1.962 30 10 IDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)C2 1569676184 OVWZAQQUYNIDOD-UKRRQHHQSA-N 435.477 1.866 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@H]3C[C@@H]3CCOC3)C2=O)cc1 1585475932 CRTQIYRPTCZFNM-QXAKKESOSA-N 426.473 1.417 30 10 IDEE C#C[C@@H](NC(=O)c1cc(I)ccc1-n1cnnn1)C1CCOCC1 1586731021 ZLHCSHUZUUHOKV-CQSZACIVSA-N 437.241 1.425 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(c4ccc(F)cc4C(N)=O)CC3)CC2)o1 1586949836 DKUYLEMUENJUME-UHFFFAOYSA-N 440.479 1.658 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)CCOC 1587620477 FWDUSRJTFHZLPG-QGZVFWFLSA-N 437.548 1.711 30 10 IDEE O=C(COc1nsnc1N1CCOCC1)NCC#Cc1ccc(C(F)(F)F)cc1 1587757577 PXKGATLFOVNQQB-UHFFFAOYSA-N 426.420 1.940 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OCC)c(OC)c1 1588006760 PWLILZSDANHSQO-UHFFFAOYSA-N 427.505 1.934 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC=C 1588099658 UYFDSSYQDBFHKB-UHFFFAOYSA-N 446.554 1.022 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1588186351 WJHKGJNMWRRDOZ-QHCPKHFHSA-N 429.565 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1588885421 WOCVHZINMLPFSK-UHFFFAOYSA-N 447.547 1.565 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1589117230 WDGDGVWTMQRVGQ-MRXNPFEDSA-N 431.566 1.579 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1589403750 CYQRTHIUDGIGSH-CJNGLKHVSA-N 431.356 1.706 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589483824 QUPDWUQNFCWWMZ-UHOSZYNNSA-N 430.553 1.552 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCCO1 1589495236 PVXPEBHKTQBJCA-MLHJIOFPSA-N 441.598 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCC(=O)NC 1589570567 VOVFTPHEKRDGFU-BEFAXECRSA-N 446.577 1.823 30 10 IDEE C=CCCOCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C 1594829427 KAPUCZDHKAEWFV-UHFFFAOYSA-N 427.553 1.989 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)CC1 1595665673 ZTPOFNQYBBGVPE-RXVVDRJESA-N 441.532 1.942 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 1597332007 HBWRKRCCZCZMJB-UHFFFAOYSA-N 441.509 1.962 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1610078885 MGRFHTJYYMYTCH-CQSZACIVSA-N 425.493 1.232 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1615039808 YNBIGGNIORFPHV-UHFFFAOYSA-N 434.581 1.696 30 10 IDEE CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1615887691 IFNLYXDNNHBJBS-QFIPXVFZSA-N 430.601 1.574 30 10 IDEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1616059908 HEMOZEVAJMBKAM-UHFFFAOYSA-N 433.534 1.779 30 10 IDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1617225997 MABRWESZSOXEAX-KMFGOTIKSA-N 440.566 1.313 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1618373660 FUKFPZFRIJFSJP-MOPGFXCFSA-N 437.585 1.294 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1619210697 GRPPQRUGYOKHDH-AEFFLSMTSA-N 446.533 1.106 30 10 IDEE COC1CCN(C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1619506847 DKFQMACKSIXSMN-IIBYNOLFSA-N 433.532 1.561 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)C1 1620346664 FOAKPTIXGJXFKY-IIBYNOLFSA-N 441.467 1.197 30 10 IDEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2C1 1621680282 BSZSILNLNMSYCI-UHFFFAOYSA-N 431.543 1.430 30 10 IDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2ncccc2C#N)CC1 1623669706 WACXLSLIVGCSPS-UHFFFAOYSA-N 425.493 1.674 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H]2CCCC[C@@H]21 1628720965 CYSVWJXUXJEMOF-KURKYZTESA-N 433.530 1.991 30 10 IDEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCN(CCC#N)CC2)cc1 1635906120 XXVAOIDOFZZQFI-UHFFFAOYSA-N 432.546 1.983 30 10 IDEE C=CCC[C@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1636468841 CYWFHQQCDHQOCP-QVKFZJNVSA-N 428.526 1.778 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)C(=O)OCC 1642682836 HYNFXIMELGXTSF-BPUTZDHNSA-N 432.926 1.213 30 10 IDEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1643329889 CBFDVKRGHLATSK-AWEZNQCLSA-N 435.527 1.460 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1645997836 QBZQJECRQRCHRM-FTLABTOESA-N 440.547 1.739 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCNC(=O)OC(C)(C)C)OC)s1 1648858109 AVOQFRFBKCKKSQ-UHFFFAOYSA-N 433.552 1.670 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)c(OC)c2)CC1 1650846153 LSWDUJLROLIDQG-UHFFFAOYSA-N 443.525 1.500 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C1CCOCC1 1656099673 LGVPRMNNFPVUJC-AWEZNQCLSA-N 436.349 1.559 30 10 IDEE C=CC[C@@H](C(=O)OC)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1657351862 JHWXXZIDLGHORJ-KRWDZBQOSA-N 445.379 1.958 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 1664367648 RDXLUJDVWKYXMO-INIZCTEOSA-N 429.498 1.695 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1681597891 IPUHRZIMISXDRE-UHFFFAOYSA-N 426.468 1.694 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1682226642 OBPPSWQFWJKDFA-WOJBJXKFSA-N 426.517 1.934 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1689966308 OWWHGNJLNSYHLV-KGLIPLIRSA-N 429.493 1.116 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1689975521 ZWBCSXKRDFSXBH-UHFFFAOYSA-N 438.937 1.520 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689982887 WOFWMQTXQPFWHJ-FQEVSTJZSA-N 449.540 1.534 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@]2(C)CN(C)C2=O)n1 1690109023 DACNANDHAGFWSP-JOCHJYFZSA-N 425.537 1.507 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690495495 BPUNTUXFUMDSRI-GOSISDBHSA-N 427.553 1.909 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)CC(N)=O 1690663279 RGIARGCNYOUCNK-SNVBAGLBSA-N 441.355 1.771 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690665748 OHQWGSYRZDCXPO-JOCHJYFZSA-N 442.520 1.227 30 10 IDEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1696386302 LIDKEUOZAXBXGX-RDTXWAMCSA-N 428.534 1.537 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1696839476 YOSSDLHAOMKABE-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)c1 1696935529 DJECOIJOJOYQHC-FHWLQOOXSA-N 440.504 1.139 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1698116952 GGYGFXYQVVPERV-QGZVFWFLSA-N 442.520 1.369 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705524529 NNMMQBXDEZGQSG-QRWLVFNGSA-N 435.525 1.539 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1705601907 YVVOSEOUOIACAH-UHFFFAOYSA-N 429.546 1.486 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2(OCCOC)CCOCC2)CC1 1705637154 LHQIHDQYBWVSPR-UHFFFAOYSA-N 439.560 1.913 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)N2CCOCC2)CC1 1705640739 CYGSWBPHSXWOSK-UHFFFAOYSA-N 440.567 1.874 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705703226 RZGRWYPVXMGPRB-LNLFQRSKSA-N 426.583 1.852 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCOCC2)CC1 1705781400 YFOQTRPLOOEWAI-JKSUJKDBSA-N 426.587 1.011 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1705843427 FCIWAHXLNFYFLT-QGZVFWFLSA-N 438.575 1.417 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1705867994 ZAUNBKGAVOMAOK-WOJBJXKFSA-N 441.580 1.941 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1705903493 XACCXZHXWXZAGZ-RDJZCZTQSA-N 447.561 1.685 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705906512 HRSXPHITSBJAAM-OAHLLOKOSA-N 430.484 1.355 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)C1 1705924257 BLVAZAWNCZMISB-MSOLQXFVSA-N 439.582 1.583 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOCC2(C)C)C1 1705928973 XIPKSPJYYTUYKQ-UFYCRDLUSA-N 449.596 1.894 30 10 IDEE CC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1CCOC 1709346772 CDEZWLBVUXDOFC-RWNPKEDZSA-N 443.552 1.229 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1710336197 GEIDGMOASURUTC-UHFFFAOYSA-N 443.577 1.784 30 10 IDEE CCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1710832434 XHSHRGBNTNGJSA-QGZVFWFLSA-N 433.520 1.677 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1722292798 ASQHARNSVIGFBG-PXNSSMCTSA-N 438.557 1.931 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1722294489 WZZQTOPWIODPOV-LAUBAEHRSA-N 436.560 1.692 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1722372032 ZYPRJWCKKCHFOQ-GOSISDBHSA-N 442.545 1.332 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c(CC)nn(C)c2OC)CC1 1722436980 OEZKWXMWOJOUKO-LJQANCHMSA-N 427.553 1.628 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1722464568 KCTFFRHNNJBZIM-CSODHUTKSA-N 433.578 1.354 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1722527768 ACNFZRUPXHWJTQ-APWZRJJASA-N 427.571 1.488 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCN(C)C1 1722681670 PRDBDVCZMLROCC-SIKLNZKXSA-N 429.521 1.496 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722695060 QXVMRRLWPZYCIN-KRWDZBQOSA-N 426.521 1.561 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722700966 ASCFKKLKOYZYHM-HKUYNNGSSA-N 438.532 1.089 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722726974 HMEMQAHRYNPDFI-MRXNPFEDSA-N 434.566 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2c(ccnc2O)C1 1722728717 XQNHDLKWBNKXKE-MRXNPFEDSA-N 433.534 1.436 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1730497473 GZPYNSYAJOAPMM-JKSUJKDBSA-N 430.440 1.354 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1730920032 XUHWQPVFJBJUFH-QFIPXVFZSA-N 427.505 1.866 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1740533170 PSSSHWSDRKDMLH-SJORKVTESA-N 441.561 1.639 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)COCCO1 1740537559 FJQBYNJFIPLLEY-YCRPNKLZSA-N 446.577 1.810 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)n(C)c1=O 1740542395 UZPCWYBJTOKIPT-OAHLLOKOSA-N 429.488 1.434 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740579234 LPLNNHRDPZMITF-KRWDZBQOSA-N 443.552 1.377 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740621734 OOIMVQGOACUJQF-QZTJIDSGSA-N 430.578 1.774 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740624713 JKGXUBITWBQPQG-DFQSSKMNSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1740655417 BEJNGAFEVSCQPA-LJQANCHMSA-N 428.514 1.688 30 10 IDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)NCC(F)F)CC1 1740695493 UBQKVOVOUMCRBC-UHFFFAOYSA-N 441.486 1.573 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2CC(OCC)C2)CC1 1740700695 FKUJKUOYAFGUDD-MAHYXTOZSA-N 431.581 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[C@H]2OC)CC1 1740706464 UNXUHRSWLGIPGB-VAMGGRTRSA-N 429.565 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1740757773 RMBTVIPOCFNABD-XLIONFOSSA-N 426.521 1.792 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1740774576 VPDPGSUIFCSDQG-ROUUACIJSA-N 448.593 1.983 30 10 IDEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740795620 ZKGRGRYMSWFDPZ-UHFFFAOYSA-N 432.569 1.702 30 10 IDEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCNS(C)(=O)=O)CC1 1740825960 VNIBWMBRYYSVPM-GOSISDBHSA-N 433.534 1.886 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740884775 MLUQWWLKXXMWMA-CQSZACIVSA-N 439.442 1.833 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740962983 VXQNTODCTDKWJY-IBGZPJMESA-N 445.589 1.769 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1740986873 JXPLQSUFVHFKJN-UHFFFAOYSA-N 447.561 1.435 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740991132 PCPJPOQJIJELCG-IRXDYDNUSA-N 437.566 1.225 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCOCC1 1748950501 LXQBWCQRXFOBSG-UHFFFAOYSA-N 436.516 1.963 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1748959751 XZXZUSGIDUUBIV-UHFFFAOYSA-N 442.545 1.358 30 10 IDEE CS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1750217327 JKLAGRWOHHPTFW-KRWDZBQOSA-N 428.440 1.138 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1751281058 ACKZNBUPRPGFHO-QHCPKHFHSA-N 435.532 1.825 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1751432899 PJMNTXYNFSGIRW-HKUYNNGSSA-N 444.561 1.332 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1760117442 PARHQECJGZYRDK-MAUKXSAKSA-N 429.546 1.436 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)N(C)C 1760168261 UWRJIVCRBUYNPL-UHFFFAOYSA-N 444.330 1.808 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1760179093 MAOAACNKPVYMTL-KRWDZBQOSA-N 445.545 1.399 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1760188528 BNXCQNUNIVXNEN-GOSISDBHSA-N 432.546 1.541 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1760255393 ZMACTHYPYATKPS-PZJWPPBQSA-N 425.533 1.760 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCS(=O)(=O)CC2)CC1 1760260057 KUURTOWMXYNKNI-UHFFFAOYSA-N 428.562 1.229 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760287631 ZIMVVMXEPJBRON-BZCZAOFBSA-N 437.504 1.033 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760324470 KQUBGTQKOQLUQV-NUJGCVRESA-N 427.571 1.314 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760335139 LQXQTFOWIAAVNY-MAUKXSAKSA-N 434.566 1.673 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCCCC2)n1 1762458439 HRANNURMJXBRCW-FXAWDEMLSA-N 426.569 1.991 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1766441503 FXIJICXMVAOSSC-SJORKVTESA-N 428.518 1.109 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1(C)C 1769117244 YXUIQHVWDQZQSO-XXBNENTESA-N 440.548 1.657 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1770640780 BESGDCARVCHQQB-DIQJORRSSA-N 444.536 1.907 30 10 IDEE NC(=O)CC1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1770778708 XUWCGBFBQPVSSP-XDOYNYLZSA-N 449.515 1.563 30 10 IDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772789471 HCGQUOXTHFSUQA-UHFFFAOYSA-N 438.845 1.633 30 10 IDEE CC(=O)c1cc(C#N)c(N(C)C(=O)c2ccc(N3CCS(=O)(=O)CC3)cc2)nc1C 1852180416 WMTUKWWQLIRBDG-UHFFFAOYSA-N 426.498 1.976 30 10 IDEE CN(C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCOC1 1853033031 VVBRZBSSSHSCDN-IEBWSBKVSA-N 449.479 1.973 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2c(OC)nc(C)c(Cl)c2C)C1=O 1854156814 DTNPINYOAXMKGE-LSDHHAIUSA-N 434.924 1.820 30 10 IDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(Br)cc2)CCN1S(=O)(=O)CC#N 1854693643 FTCDCHVQZOKEOH-GFCCVEGCSA-N 428.308 1.294 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)C[C@@H]2CCCO2)CC1 1857274610 PSXRDKXKKJPZFZ-KRWDZBQOSA-N 431.514 1.986 30 10 IDEE Cn1nc(C(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)cc1-c1cc(F)ccc1F 1867101761 XNFPCKCGCPHAQV-GOSISDBHSA-N 425.395 1.966 30 10 IDEE COCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932203 WZTGFAWEWYSVOY-SFHVURJKSA-N 426.498 1.580 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCN(C)C 1870535830 NHIZXWBOQFGKML-UHFFFAOYSA-N 447.624 1.421 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)CC2)CC1 1889466017 DTPSVZWAONWZLA-UHFFFAOYSA-N 439.564 1.003 30 10 IDEE O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCC#CCN1CCCC1 1889778875 PTJLABZNUJYWFB-SFHVURJKSA-N 448.552 1.835 30 10 IDEE N#Cc1cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)ccn1 1890368306 GNJNCSCXCBTZOV-UHFFFAOYSA-N 429.419 1.579 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1964924005 MQWSEDAHPMPKJC-YSTOQKLRSA-N 426.517 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128733177 VUHIHJQDFPYQDX-ZWKOTPCHSA-N 446.353 1.972 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 2247963654 YSMLSVSFHKJIQI-DGCLKSJQSA-N 440.293 1.893 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255811623 SEFKEFDTJSKGNC-WDEREUQCSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255827165 VTWRHVNAQTVVAB-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255855006 JOIASCUFHVBCPA-KGLIPLIRSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCOC1 2255861189 AIKNPNCASHVXMG-NRFANRHFSA-N 435.330 1.728 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)nc2)OC1(C)C 2255870098 IBYLKRCNKYXZHG-GOSISDBHSA-N 427.232 1.664 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267575605 HSDSEFJFRHFHEH-KGLIPLIRSA-N 447.345 1.196 30 10 IDEE CC1(C)OB(c2cncc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2268976341 WDGZUQHHFZPYLQ-UHFFFAOYSA-N 439.321 1.697 30 10 IDEE CC1(C)OB(c2sncc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2315692967 CYJBIKMDNIKUML-QFIPXVFZSA-N 443.378 1.809 30 10 IDEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)cc1O 2328261572 AXSLBGWBKMHSGI-UHFFFAOYSA-N 429.458 1.737 30 10 IDEE C#CCOC[C@H](O)CN(Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)CC(C)C 36207173 WHZIEQGLQQNLJZ-OAHLLOKOSA-N 435.546 1.938 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)c3cccc(OC)c3)n2N)cn1 59914039 GJGFBCWFUADGSL-AWQFTUOYSA-N 430.494 1.264 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@H]1c1ccc(O)cc1 72472502 DZIMLKHDAFQETO-QAPCUYQASA-N 445.435 1.844 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COS(C)(=O)=O 118932188 TZEYKLAAPSZABE-CHKNUKQCSA-N 438.542 1.542 30 10 IDEE COc1cc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)ncn1 461349782 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435.532 1.331 30 10 IDEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)c1 544835003 SBKWDSDGTAKXTN-MRXNPFEDSA-N 435.484 1.672 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCc2c(C)nn(C)c2C)C1=O 726887516 FWSFCHYSZFDEJT-INIZCTEOSA-N 430.534 1.751 30 10 IDEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730140741 XUMVWKJLDWLLHC-KRWDZBQOSA-N 449.552 1.412 30 10 IDEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CN(C(=O)OC(C)(C)C)C1 747964950 ZDMCQGCIHDCENQ-AWEZNQCLSA-N 436.534 1.693 30 10 IDEE CN(Cc1ccccc1)C(=O)Cc1noc(C/N=C2/NS(=O)(=O)c3ccccc32)n1 771646682 QCNVVICHHDCSQD-UHFFFAOYSA-N 425.470 1.509 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2cnccn2)C1=O 774582444 MRAKBPMLPSZZLR-GOSISDBHSA-N 444.536 1.858 30 10 IDEE C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 781398653 AEGQUTLFBUTJEM-OAHLLOKOSA-N 441.509 1.528 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1 788887349 WOWLJNOTEZHRIB-CQSZACIVSA-N 439.511 1.729 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 789123571 OQLMQQHIBQBCPZ-SFHVURJKSA-N 426.473 1.843 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccsc1 790435129 YDPAHMYOIXBAIK-UHFFFAOYSA-N 435.534 1.637 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)c(C)cc1F 794026486 OKNIUOSPNFYWNX-UHFFFAOYSA-N 429.433 1.904 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 800776068 XXQVCTMDZMZEKH-QGZVFWFLSA-N 448.549 1.409 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 802512613 FVZJVZLHUKBMGA-FQEVSTJZSA-N 437.504 1.786 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H]2CCCO2)CC1 802682613 WKHZWWHGLCVFSQ-KRWDZBQOSA-N 433.516 1.126 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 816290916 WNXZAKRLSGPRIG-UHFFFAOYSA-N 428.186 1.397 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 914679793 IZDZCAMIHURXOS-ZIAGYGMSSA-N 443.481 1.494 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915450281 LXKZAEVCZBYKEQ-MGPLVRAMSA-N 446.323 1.696 30 10 IDEE Cc1nnc(NC(=O)CSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)s1 1084464339 GAHAIHRIACOLSF-UHFFFAOYSA-N 449.570 1.723 30 10 IDEE C#CC[C@H](NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC 1141997854 CIBKEURFOWTCFX-LEWJYISDSA-N 436.464 1.567 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 1144758709 LOAOGSKRPNJDKO-MRXNPFEDSA-N 426.336 1.593 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)Cc3ccc(O)cc3)CC2)cc1 1152176579 RITZQXWVKYOJAU-LJQANCHMSA-N 443.525 1.384 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cccc(C#N)n4)C3)[C@@H]2C1 1152888796 WMCRDSORIODKDV-UAGQMJEPSA-N 427.461 1.608 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc(Br)cc3C#N)CC2)C[C@@H](C)O1 1162126005 FEIAVYKNXFRDDO-BETUJISGSA-N 444.355 1.192 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@]3(CO)CCCC[C@]3(CO)C2)CC1 1176767326 FWFJJQBMTOTPOS-QIJUGHKUSA-N 432.590 1.304 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F 1185754726 XGCBUTZICQZZIS-LLVKDONJSA-N 426.438 1.551 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286301010 ZOGKGJKUNKKGFS-SXLOBPIMSA-N 442.589 1.926 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286386591 DHVYAIGOTPOSCK-FUHWJXTLSA-N 428.562 1.450 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1286411685 ZYMSQEDYDBNINM-HSZRJFAPSA-N 436.585 1.545 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1286434281 WDGMNFRKHYWDGY-IBGZPJMESA-N 434.500 1.617 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCc2n[nH]c(C)n2)CC1 1286484133 ISLWUGXEUXRGHH-UHFFFAOYSA-N 434.548 1.844 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286556949 SFDVFIVLOSXQJM-QRQLOZEOSA-N 426.521 1.581 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC=C)C1 1286700618 PQHQWUMAPJMGRS-IRXDYDNUSA-N 425.555 1.359 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1286786535 GGXGFQYOXYOWPG-UHFFFAOYSA-N 432.532 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286820700 PLPKQUVRGABBJW-IAGOWNOFSA-N 439.582 1.125 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1288985766 CCSBAAJJYCNFGL-CZIZESTLSA-N 432.488 1.997 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nnnn3CC2)c1 1291722597 RDNBIXRODFRPKR-AZCDHQAESA-N 445.549 1.857 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)n[nH]2)c1C 1295707574 QWVHEVQUCLYALJ-UHFFFAOYSA-N 446.577 1.411 30 10 IDEE CCn1cnnc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1295953418 GHKYRTPFNOWKOM-RHSMWYFYSA-N 426.456 1.946 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1298089163 SBZUCBCRJZLXBX-IBGZPJMESA-N 446.577 1.408 30 10 IDEE CN(CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1298711671 AVMNSVFVBIOMQI-QGZVFWFLSA-N 427.509 1.860 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)C[C@H]1O 1299413780 RSSFHHRIFCDDMQ-RTBURBONSA-N 440.548 1.765 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1300494089 YJYHUGBILFVHMX-SFHVURJKSA-N 433.582 1.037 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1300495218 FNMIAAALPFRJGR-UWJYYQICSA-N 433.578 1.114 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H](O)C1 1300527306 DYAGZEMEKXFEPK-ZWKOTPCHSA-N 440.573 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1300577789 BSQPRPDPQGGZQD-PMACEKPBSA-N 431.606 1.908 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(COCCOC)cc2)CC1 1300700874 YJZKITMRESCXLF-JOCHJYFZSA-N 439.560 1.749 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCOC1 1300755511 VDGNSDFXRCYBOD-OAHLLOKOSA-N 434.591 1.830 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300779607 YWNCUQJKLQQAIG-SCTDSRPQSA-N 435.594 1.864 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1301491626 USLXVUNJKSETII-KRWDZBQOSA-N 426.521 1.664 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCCN(CC)C(=O)C1 1301514183 GDKYFIHDHCSGKU-UHFFFAOYSA-N 440.548 1.780 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301519978 AMFYXZPAOARGJJ-MBOZVWFJSA-N 446.596 1.994 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1302208925 OQLIYTXEUFAOIX-HXUWFJFHSA-N 426.521 1.975 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2nncn2C)C1 1303202690 FXUMFNJQCFRRAT-ZBFHGGJFSA-N 430.534 1.429 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCCS2(=O)=O)cs1 1304664566 WMWVEYUWACVWAF-UHFFFAOYSA-N 449.606 1.799 30 10 IDEE CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1313380099 IBWZMJCIEIYHJW-KRWDZBQOSA-N 427.505 1.920 30 10 IDEE CCOCc1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1314329610 XQOHTBAOXZVVSC-ZBBYCGENSA-N 444.536 1.472 30 10 IDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CCSCC1 1351265067 ASZCMQRUCGTWCA-UHFFFAOYSA-N 437.572 1.561 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1358966286 LOYNLKTYMXLPNR-RBUKOAKNSA-N 433.578 1.116 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1359009218 KPVVOWDDYBTXOQ-KRWDZBQOSA-N 425.518 1.269 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(SC)CCOCC2)CC1 1359039992 DLOOFUSBZRUZSP-OALUTQOASA-N 449.621 1.670 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2csc(COC)n2)CC1 1359043680 DFODVGDPGNVOSW-UHFFFAOYSA-N 439.545 1.890 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C 1359064153 MNIFLEIHTSZQNT-FOIQADDNSA-N 431.566 1.390 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1359329145 ZXXDFUIMXFERFL-OAQYLSRUSA-N 448.545 1.550 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1359749726 XVWIHAYXQFCIOT-KDDVOAFDSA-N 425.493 1.661 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC1CN(S(C)(=O)=O)C1 1448167203 WPHJKRRDEWUEKY-GOSISDBHSA-N 448.545 1.400 30 10 IDEE N#CCc1ccccc1CC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1453807334 BQWCLZWFOIXPKE-UHFFFAOYSA-N 426.542 1.418 30 10 IDEE Cc1nc(=NC(=O)c2cn(C)nc2I)n(-c2ccc(C#N)cc2)[nH]1 1456833736 JILWXVAUQVEIKE-UHFFFAOYSA-N 433.213 1.460 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C[C@@H]3CCCOC3)C(=O)OC)ccc2c1=O 1457973507 YBKRQRWSKVUPJO-SUMWQHHRSA-N 431.514 1.959 30 10 IDEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCC[C@H](OC)C1 1461288731 RUEZOFIUSVYXGW-SOLBZPMBSA-N 437.518 1.355 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)s1 1472259272 WPUJKPRUWWAMGM-ZDUSSCGKSA-N 438.531 1.623 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)cc1Br 1504203415 QGDXISHIEGIIAY-ZDUSSCGKSA-N 434.294 1.970 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1507554237 NSZYDPQQGYETOX-UHFFFAOYSA-N 425.493 1.024 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507726687 KHNWZOBQVBFOHA-IBGZPJMESA-N 443.573 1.090 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCC(F)F)CCOC1 1516214430 NPWOGBVIEUICFX-JXFKEZNVSA-N 440.495 1.388 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)(F)F 1517127570 GXULDVJKXMQHMJ-UHFFFAOYSA-N 430.394 1.922 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)c2cccc(O)c2)cn1 1517367439 GCZFMUFCOQQINQ-NRFANRHFSA-N 438.467 1.646 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)C1=O 1527209479 FARDYFJHRCODMG-CVEARBPZSA-N 427.457 1.650 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1539013262 IIPDWOKNYXWJEQ-NEPJUHHUSA-N 426.436 1.555 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539221315 ZPHCSEWWAJNWSI-SFHVURJKSA-N 437.610 1.214 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1539221532 PJZKWSGSUQSDFD-QZTJIDSGSA-N 432.550 1.352 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)NCC)CCC1 1539251135 YXCSWSRZFYBYQV-UHFFFAOYSA-N 443.515 1.300 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1539415771 GVDDQYPDJGUGET-QGZVFWFLSA-N 448.545 1.332 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CCOC2)CC1 1539434664 RYHLAAWYTZLIFX-HXUWFJFHSA-N 446.349 1.614 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539712744 IXYYVRSAMOGNNI-GDBMZVCRSA-N 428.961 1.834 30 10 IDEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1540115278 CYRIYUZRHLSMCM-NRFANRHFSA-N 448.545 1.570 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1540201709 YURFGKMEALGSDL-XMSQKQJNSA-N 427.505 1.908 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1541111190 GSQXGYNTOZKVTB-PSKUBERUSA-N 439.545 1.699 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCOCC2)n1Cc1ccc(C#N)o1 1541207037 ZKZCAQLLIINRAE-KRWDZBQOSA-N 444.492 1.936 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncc(N4CCCC4)n3)CC2)cc1 1543120702 CXAFPVJBSXETPL-UHFFFAOYSA-N 426.502 1.095 30 10 IDEE Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543184356 JQLKLAUDCSKFRS-AMVIDYIJSA-N 445.524 1.462 30 10 IDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1543464073 ZVUGQWAJOXULEM-QGZVFWFLSA-N 437.518 1.849 30 10 IDEE CCN1CCN(CCCn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1547736919 XHHJNIUAYSSDPM-LJQANCHMSA-N 444.609 1.390 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)CCn2cc(C)cn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367757 LNBVBMPWZRYIBT-GOSISDBHSA-N 448.449 1.936 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1554385760 IIORLSGGSDIVTF-LPHOPBHVSA-N 426.521 1.831 30 10 IDEE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1557234548 ZCAIOUZBIVSCKT-CXAGYDPISA-N 425.482 1.255 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1557503942 OYIYOEKYJLUXHE-KGLIPLIRSA-N 435.916 1.855 30 10 IDEE C=CC1(CC(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)CN(C(=O)OC(C)(C)C)C1 1558750732 JDTYHBGXOPMTGD-OAHLLOKOSA-N 432.525 1.199 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1558817157 CUCDSQXGAOPBHP-CQSZACIVSA-N 436.958 1.829 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1559732674 OZYVMQXPCUZWIA-UHFFFAOYSA-N 443.466 1.992 30 10 IDEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1563000880 QHFRVDZBBATBPV-NEPJUHHUSA-N 427.445 1.274 30 10 IDEE Cc1ccc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 1569256471 YYMFBVCZVZPSNQ-INIZCTEOSA-N 434.342 1.910 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588064388 HINCHFUECLVHTP-SFHVURJKSA-N 444.586 1.533 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588254466 WHSGQLLWLSRVNT-RBUKOAKNSA-N 433.578 1.482 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCN(CC)CC1 1588445095 GNQUQBCXZZMZNU-SFHVURJKSA-N 443.621 1.755 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)[C@H](C)CC)CC1 1588884724 LKPWXZRSIKEYBL-QGZVFWFLSA-N 431.585 1.112 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1589060798 YVXRPDROINAXTE-UONOGXRCSA-N 430.500 1.668 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1589547575 VCLJFGHOGWXBBT-BZSNNMDCSA-N 437.566 1.359 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1593691489 WPKMPAJDCWGEJS-UHFFFAOYSA-N 425.493 1.544 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1593746383 CUZMVVMZSKBQBG-GOSISDBHSA-N 446.577 1.495 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cc[nH]n1 1594962258 KCSKUOYZIRBUOH-UHFFFAOYSA-N 436.524 1.227 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595490773 ZUEYMABXVCNWEN-QGZVFWFLSA-N 436.314 1.040 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1595569355 FUYXURRBVCGBHH-KRWDZBQOSA-N 427.505 1.373 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595805416 OTQUBRWCDKTKHB-HXUWFJFHSA-N 426.583 1.852 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1596791938 URPHHVQMIXZYCX-LLVKDONJSA-N 444.359 1.191 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1598080420 NKAZLJZGOPGOEG-INIZCTEOSA-N 430.484 1.887 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1614069774 FQARULNZZAVZBJ-GOSISDBHSA-N 444.561 1.746 30 10 IDEE CCn1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cn1 1615724217 DSHOCBQGDMQBMJ-OAHLLOKOSA-N 426.506 1.263 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](COCCOC)C1 1615741360 BQQQRYYUWIYMIL-GOSISDBHSA-N 436.520 1.966 30 10 IDEE C#CCn1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cn1 1618800771 RRZBCFUCGSBTNL-QUCCMNQESA-N 430.530 1.080 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1618815080 AYJPMQGSEPPJDU-QGZVFWFLSA-N 441.536 1.022 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCOCC1 1619452877 GPPBEPZFGOGAFJ-MSOLQXFVSA-N 442.520 1.315 30 10 IDEE C=CCC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1623969941 XHKASPVLEFYLQP-AWEZNQCLSA-N 447.351 1.527 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1624338830 SRJAMAHVVBFJBG-UHFFFAOYSA-N 435.452 1.987 30 10 IDEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626655747 KQIXWHUPSKLSHE-NQCMUKECSA-N 432.527 1.354 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1626788541 AMDQLNHLHZFUNM-LIRRHRJNSA-N 449.554 1.717 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@@H]1c1ccccc1 1629293257 LHVONFFFDUDVOI-RTBURBONSA-N 441.509 1.826 30 10 IDEE C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[C@H](O)CN(C)C(=O)OC(C)(C)C 1630585970 ZYCIYPPJAXALNP-HLLBOEOZSA-N 432.525 1.249 30 10 IDEE Cc1c(C(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cnn1CCC#N 1633335154 AFLPWULUATXCCH-QGZVFWFLSA-N 444.536 1.789 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)CC1 1633490356 SVFKONCJVQRUAM-FQEVSTJZSA-N 444.561 1.036 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1634260148 SMAOXPXNISTCOL-UHFFFAOYSA-N 432.527 1.911 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1638625055 LFFBOWSEWGZJPX-UHFFFAOYSA-N 426.399 1.487 30 10 IDEE COc1cn(C)nc1[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1639303152 FCTHNVCSSJFZDI-AWEZNQCLSA-N 433.534 1.905 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1640587845 BPTGOGKFMMWXQA-UHFFFAOYSA-N 447.557 1.929 30 10 IDEE COc1ncc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(C)c1Br 1641140241 GWSGTHFUEODQSP-UHFFFAOYSA-N 439.291 1.950 30 10 IDEE CCOC(=O)[C@@]1(F)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC12CCC2 1641276356 MNLNEJMIUPQLBO-FQEVSTJZSA-N 437.493 1.399 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 1643023847 SRKJXFKAEDHCTR-SJORKVTESA-N 439.534 1.251 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1645274472 QJZCFMBHKVQUKE-QAPCUYQASA-N 439.965 1.087 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1648042182 GJCAEKDYMUAZAB-HDJSIYSDSA-N 436.534 1.677 30 10 IDEE O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCC#C[C@H]1CCCCO1 1653543902 GUYNXFWYLGZHIL-QGZVFWFLSA-N 436.530 1.595 30 10 IDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1653628882 OHYMNFRXWKJCSN-MSOLQXFVSA-N 441.532 1.798 30 10 IDEE N#CC1(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCOCC1 1653634046 FQQDQOCZBJAMOQ-JOCHJYFZSA-N 446.507 1.936 30 10 IDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1664371184 AUVRYOACQMIGAM-NSHDSACASA-N 449.266 1.409 30 10 IDEE C#C[C@@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 1678393857 CMZULLJIDNJBRA-CYBMUJFWSA-N 428.294 1.585 30 10 IDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCC1 1683688298 AGAZIWYOLZDWSB-WOJBJXKFSA-N 449.577 1.596 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1689824814 XYVPAFLULNJCQR-SFHVURJKSA-N 438.532 1.854 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689845133 QJIIJLUCVCICOS-RCCFBDPRSA-N 430.578 1.946 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941281 LMSOLDCCETYFKD-VGOFRKELSA-N 444.536 1.205 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1689990419 OCDSTQIHEYHHMV-IRXDYDNUSA-N 440.591 1.163 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1690103301 BVDYIWDIIHSMOG-AVRDEDQJSA-N 425.489 1.355 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690135376 VHXMESQQGXMHRM-IAGOWNOFSA-N 444.580 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(=O)NC2CCCCC2)CC1 1690150287 BRRJYDQXUMNTNG-UHFFFAOYSA-N 426.565 1.645 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1690156624 ZOCDHYFXRSVQNC-DLBZAZTESA-N 440.639 1.319 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C)C1 1690671005 NIDKEERGBNSZLU-SJORKVTESA-N 448.568 1.920 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690747219 WKJMEHKDKSVENN-GJZGRUSLSA-N 443.595 1.376 30 10 IDEE CC(C)c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1691658973 RMYWDYNVOMMECT-DYTRJAOYSA-N 437.504 1.663 30 10 IDEE C[C@@H]1COCCN1CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1693857139 DYSYHZHHMRQVFJ-GOSISDBHSA-N 438.580 1.890 30 10 IDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCOC1(C)C 1693861330 BKSMMAZLIAUIJK-MRXNPFEDSA-N 447.561 1.882 30 10 IDEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1F 1696609998 HPQMJOOFSLJSOX-JKSUJKDBSA-N 448.524 1.162 30 10 IDEE CNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696909279 WLYLDUQJAXEZFG-KRWDZBQOSA-N 442.593 1.583 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1696915234 XQMIRCHAPJZJID-WMLDXEAASA-N 448.474 1.971 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCNS(C)(=O)=O 1705485178 FNYOQBJJEACLQJ-OAHLLOKOSA-N 435.550 1.748 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1705559194 UDMVCPQXAXSJDW-INIZCTEOSA-N 433.534 1.301 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705570442 NRFQQOVXOFCOLL-QGZVFWFLSA-N 433.582 1.255 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1705612388 GGVWOZWNASQCDD-LJQANCHMSA-N 429.546 1.784 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1705647217 AOXIWZUCGFWKTB-UYAOXDASSA-N 428.581 1.480 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)C 1705674531 KYPJQCUEAJRSFH-VQIMIIECSA-N 425.555 1.028 30 10 IDEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705738146 NBHAGWXLJCBCOT-GOSISDBHSA-N 426.521 1.706 30 10 IDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705819579 OUNVZGWRTYLZDQ-SFTDATJTSA-N 432.613 1.979 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1710895990 HXKPPQGCCXXZHJ-MRXNPFEDSA-N 448.549 1.283 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1712686070 DKLYZGBORJULQR-IEBWSBKVSA-N 445.545 1.895 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCN(C)C(=O)OC(C)(C)C)n1 1722427476 JUYMHSXXNZDZRL-UHFFFAOYSA-N 431.541 1.936 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCCC)CC1 1722433716 DTQLVJYIEDZKSL-UHFFFAOYSA-N 445.589 1.921 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(OC)CCCCC2)CC1 1722445896 DRWDHJWNEXTKRO-UHFFFAOYSA-N 439.564 1.994 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOC(C)C)CC1 1722450111 XUWKWCZVLWDSDI-UHFFFAOYSA-N 427.553 1.531 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1 1722728521 QZURLYNDQBDTAX-INIZCTEOSA-N 430.596 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722729394 JUERDUPBDPBPNM-CEXWTWQISA-N 431.562 1.726 30 10 IDEE CCCS(=O)(=O)NC1CCN(c2nnc(COCC)n2Cc2ccc(C#N)o2)CC1 1728244670 OBMLUKJNHDMIME-UHFFFAOYSA-N 436.538 1.626 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1729232184 BQPCSZBAYVYAKM-WRONEBCDSA-N 447.586 1.600 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1729350699 AAGBIHNMIGKFGH-FXAWDEMLSA-N 431.518 1.246 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1729545862 MBXLTUOCPRQWHY-SFHVURJKSA-N 446.533 1.059 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1740549681 GNCQMHNOXKDJCA-FUHWJXTLSA-N 433.553 1.909 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCS(C)(=O)=O)c1 1740563191 QXZGBBFINUOCPA-UHFFFAOYSA-N 440.529 1.764 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(=O)NC 1740571600 SKIBRAUIRSYNJK-UHFFFAOYSA-N 431.566 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1740636128 VRRYTJZRWIGIHR-UHFFFAOYSA-N 443.515 1.252 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1CC 1740657448 SFWRXMKMFXPOBH-UFYCRDLUSA-N 447.605 1.900 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740722345 HIYWTJVORZBOKW-INIZCTEOSA-N 427.596 1.185 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1740774344 QUIFZYRPPVSBBD-QGZVFWFLSA-N 437.570 1.219 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1740963430 KOZOYVJIUGFGAL-KRWDZBQOSA-N 427.505 1.857 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(C)(=O)=O)C1 1741983796 MHVWGYOQLWGIEJ-LJQANCHMSA-N 438.504 1.826 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[C@@H]1NC(=O)NC1=O 1748648757 CPSXCMJBCFOVDC-ZBFHGGJFSA-N 432.488 1.781 30 10 IDEE COc1ccc(OC)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c1 1748855419 AMOGOKCSLYKZTR-UONOGXRCSA-N 436.538 1.692 30 10 IDEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749411713 DQTYTGFYKFWDIT-HOTGVXAUSA-N 442.495 1.670 30 10 IDEE COCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1749775529 XVVDOXTXRCTBMM-UHFFFAOYSA-N 435.536 1.445 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760188840 MZZJHRDXLGFKMA-ZWKOTPCHSA-N 444.561 1.711 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)C(=O)NCC 1760245885 NRULSBTVSANGTQ-UHFFFAOYSA-N 427.505 1.922 30 10 IDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1)C1CC1 1760476684 CKOGYWINVVTKEP-MRXNPFEDSA-N 444.540 1.918 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(C)(=O)=O 1763745109 IDVZOFPOLWVAAS-MRXNPFEDSA-N 431.566 1.820 30 10 IDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)OC 1764230286 FFRVVPPMRFTAST-MSOLQXFVSA-N 437.504 1.714 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1766679212 CVINJYOAPZQVAA-LJQANCHMSA-N 437.497 1.839 30 10 IDEE CCOCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1768074620 NHTKLPLPLBUZND-SFHVURJKSA-N 442.568 1.839 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCCN1CCC[C@@H]1CO 1771289072 MSJNGXQPRFQIHQ-HBMCJLEFSA-N 446.596 1.979 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1771360905 GLFBOLSQDWTCOT-CVEARBPZSA-N 436.563 1.083 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)C[C@H](C)O1 1772791436 UKOQDIQZCPYJCJ-KBPBESRZSA-N 444.465 1.853 30 10 IDEE COC(=O)N1CCC[C@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852147336 LEFSUIGFZKGMHP-ICSRJNTNSA-N 431.489 1.659 30 10 IDEE C=CCN(C(=O)Cn1ncn(-c2ccc(OC(F)(F)F)cc2)c1=O)[C@H]1CCN(C)C1=O 1852599225 YTWLFRKHGZVILM-HNNXBMFYSA-N 439.394 1.178 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1857093455 RDBJJWIVLWAEIT-CYBMUJFWSA-N 433.436 1.827 30 10 IDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C1)CC2 1857211956 DOPSQGJSJUNJRK-ZWKOTPCHSA-N 429.542 1.851 30 10 IDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCOc3ccccc3)CC2=O)cc1C#N 1857438015 MJMQFVYSXQQWLK-UHFFFAOYSA-N 427.482 1.560 30 10 IDEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)nc1 1858439841 DHMZRLOIQDIXBQ-GOSISDBHSA-N 441.513 1.582 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCN(C)C 1870546267 MOYMGLQCDLJGMK-FQEVSTJZSA-N 432.565 1.258 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2009894352 SZQPPRDSIRSAAW-LHSJRXKWSA-N 439.509 1.779 30 10 IDEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(Br)c1=O 2122546726 BIJOZRBQKGLQTN-OLZOCXBDSA-N 427.299 1.685 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C(=O)C1 2124534829 KACAWCNTENBRML-UHFFFAOYSA-N 449.357 1.856 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2247909310 HYMKTSFTBMEKLK-UONOGXRCSA-N 438.355 1.757 30 10 IDEE Cc1nn(C)c(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255632791 RIKSQACGYGRKCK-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255693725 JCFQBGOACWLHPG-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255706832 OPHJLIQNMKYMGB-UHFFFAOYSA-N 435.330 1.462 30 10 IDEE CCCN(CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255839404 VLRJMBGVODJUIE-UHFFFAOYSA-N 437.350 1.491 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843724 KWFBOXZMCAGCJA-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256891037 JXJBFWRASNDKRX-HUUCEWRRSA-N 437.321 1.984 30 10 IDEE Cn1cc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267128415 QLIJIRZLNZDULP-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267267011 UFNBCLYGZLAEPS-PEBXRYMYSA-N 444.341 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 2267269472 FCSNVIPERPFCQF-UHFFFAOYSA-N 449.361 1.682 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267275501 OUGPYNMPUVBMIX-QKDCVEJESA-N 444.341 1.619 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267599590 RQOUUYBKVCYMGK-JSGCOSHPSA-N 443.275 1.996 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268631732 BVRUIIOQXMINTG-YJBOKZPZSA-N 448.369 1.919 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C 2337199211 SJOHHVPCIUXVKG-SOUVJXGZSA-N 446.357 1.705 30 10 IDEE C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 28623810 GVURTQNUJQVNAH-UHFFFAOYSA-N 436.412 1.313 30 10 IDEE CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C(\O)C(=O)NCc2ccccc2)cc1 33884766 XGUCVTKLNCNNCP-UHFFFAOYSA-N 433.442 1.150 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440375114 CLEFRPPVIQHMDO-UHFFFAOYSA-N 441.472 1.361 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(N4CCOCC4)CC(OCC)C3)cc2C1=O 443868029 MLWXOWIOPHXAJC-UHFFFAOYSA-N 427.501 1.468 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)cnc21 473567398 FVWASFHHDCQSJV-QGZVFWFLSA-N 425.880 1.192 30 10 IDEE CCc1cnc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 482391727 SQXLDGIBPDNUHK-CQSZACIVSA-N 433.559 1.593 30 10 IDEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489111533 MEBNBRDOOZXRPV-UHFFFAOYSA-N 428.514 1.736 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 492782304 GJXKYGBTXLXOES-MOPGFXCFSA-N 429.565 1.863 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1 502569203 FMQURSYDTSRQNJ-IBGZPJMESA-N 440.525 1.505 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2)cc1 507088459 QUAAZPZLNILUOW-FQEVSTJZSA-N 437.518 1.446 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 508998866 FMZNWWMQAZIIAW-UXHICEINSA-N 438.532 1.480 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1C 517988726 MUZDEXYOEMTGAD-UHFFFAOYSA-N 439.537 1.232 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCCSC 541287946 CYRVMDRAMPRZJE-UHFFFAOYSA-N 445.595 1.159 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 542409228 UCFSUNOFXFSIMF-VQTJNVASSA-N 432.484 1.943 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 549253087 YSGZSFGDBGQJQB-GOSISDBHSA-N 442.476 1.813 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 559002947 SXDAWRUCZRNSGF-MSOLQXFVSA-N 439.582 1.773 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1 578809685 BBQRZSHFLGKKPY-UHFFFAOYSA-N 432.481 1.961 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(CC)CC)C1 581837024 BSPNPNCMOYGABZ-QZTJIDSGSA-N 440.614 1.355 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)C1=O 583836664 CIXANUHRPNLHSG-JTQLQIEISA-N 429.355 1.205 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@H]1CCCO1 603798970 PYPAGKYGLWOUPD-OAHLLOKOSA-N 431.583 1.878 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 685550826 BANNMNQUTGXMBJ-QGZVFWFLSA-N 439.488 1.638 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(c2ccccc2)C1=O 733992611 MEPYSWLKWQAGMR-QGZVFWFLSA-N 426.498 1.427 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 734292526 RWVJGUWESLKZLY-SFHVURJKSA-N 425.466 1.992 30 10 IDEE C=CC[C@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccncc1 734669691 UAFIFGGUHMGZKL-ZDUSSCGKSA-N 445.325 1.923 30 10 IDEE C#CC[C@@H](NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757275402 JCVIKOWOIOMJJC-HXUWFJFHSA-N 449.463 1.234 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCCCC1 760400773 OQZAEWFZJYSROF-NRFANRHFSA-N 444.513 1.300 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nnnn1C(C)(C)C 766174270 UXCCZEKYCGAGEX-AWEZNQCLSA-N 434.522 1.769 30 10 IDEE N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 766871531 ASZPRZQKPOKCLB-MSOLQXFVSA-N 447.513 1.001 30 10 IDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 767694875 GVQUFJDMEOUYTC-INIZCTEOSA-N 436.530 1.868 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1C[C@H]1CCCO1 769636860 LRNXAKCGNLVLDR-MRXNPFEDSA-N 442.585 1.848 30 10 IDEE O=C(NC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1 782720144 ADDRPPKSJCHQBH-NRTINQSCSA-N 440.504 1.899 30 10 IDEE COCCN(Cc1ccnn1C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785709105 HOBZPGUQZWVESY-NMWGTECJSA-N 448.549 1.913 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CCC2CS(=O)(=O)C2)C1=O 786688603 SNKWGRJRMMHURJ-OAHLLOKOSA-N 427.523 1.636 30 10 IDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)cn1 793470084 VRBIVOZEQPBFFL-OAHLLOKOSA-N 445.504 1.439 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H]2CCCO2)CC1 802683345 URKWSHBPKFDRDE-SFHVURJKSA-N 447.543 1.609 30 10 IDEE C=CCOCCn1c(-c2cnccn2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192380 PITJWWJPQOZDFT-UHFFFAOYSA-N 431.543 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@@H]1CCOC1 812394692 WCARSDRHVVCRLX-IBGZPJMESA-N 441.557 1.517 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(NS(C)(=O)=O)c1 918090805 YGGUBZBIENGPHE-OAHLLOKOSA-N 428.518 1.918 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CCc4cnccn4)CC3)CC2=O)cc1Cl 1175292851 XMCVDWCYCSCCAI-QGZVFWFLSA-N 438.919 1.741 30 10 IDEE CN1C[C@@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCC1=O 1194647772 CILJJQJXPXJOJJ-IRXDYDNUSA-N 427.549 1.909 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccc(F)cc1 1230478828 PRURVFYIMUQEIQ-HXUWFJFHSA-N 430.505 1.862 30 10 IDEE C=CCCSCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1278581716 SHEHGCZQJIIWFI-UHFFFAOYSA-N 427.592 1.813 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1286461113 NKBJFAHILOPZAQ-WIYYLYMNSA-N 448.520 1.458 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1286464454 BAQJIOWCDDNKHV-RTBURBONSA-N 428.537 1.659 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC23CCOCC3)CC1 1286469752 KMXRPANQCYYMTG-SFHVURJKSA-N 428.581 1.768 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC)C1 1286509613 UQXZZRSDSAQAIJ-ROUUACIJSA-N 439.651 1.715 30 10 IDEE C=CC1CCN(c2nnc(COCC)n2CCS(=O)(=O)N2CCSCC2)CC1 1286666030 RPKJQFLTNJWOCX-UHFFFAOYSA-N 429.612 1.596 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1286772413 CZNPNFLHNREDIK-HNNXBMFYSA-N 435.550 1.734 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1286831883 LHJOYYQVZUARIK-JYJNAYRXSA-N 441.623 1.622 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[C@H]2C)CC1 1288014183 JFDARHOCDLKEJV-APWZRJJASA-N 435.532 1.646 30 10 IDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@]2(CCOC2)O1 1289030483 AYOJMPDRQFEKDB-QHCPKHFHSA-N 441.532 1.990 30 10 IDEE CC[C@@H](C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291772248 MZMIOLBQHZEDMT-KDOFPFPSSA-N 438.536 1.494 30 10 IDEE CCN(CCC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1295796415 ATMTWDUAXDFFIX-UDJKBAMHSA-N 427.509 1.382 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc([C@H]2CCCO2)n[nH]1 1300004192 DRENZGBOPAAABU-OAHLLOKOSA-N 446.533 1.572 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1300503548 DNNPXESACGQTHZ-IAGOWNOFSA-N 446.529 1.281 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1300553758 REMCVRNHTGOYMI-UHFFFAOYSA-N 425.581 1.003 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1300705870 DHQFWZOFUHRNOK-IBGZPJMESA-N 427.597 1.276 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1300762718 MBCCJPZWWCLJPN-KRWDZBQOSA-N 439.593 1.996 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCOCC1)C1CC1 1301312371 ANEJWBUYXBQTBF-UHFFFAOYSA-N 425.493 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301585573 CVMGRMGOQGNSKQ-RTBURBONSA-N 431.562 1.728 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1302456882 DXJNKBHEHQZUMC-AWEZNQCLSA-N 440.323 1.481 30 10 IDEE CCOC(=O)C1([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCOCC1 1308122443 URAAGDMBUYHIBA-MSOLQXFVSA-N 448.589 1.795 30 10 IDEE CC(C)(CCS(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1309395649 ADMJFWJFDZNWOG-INIZCTEOSA-N 427.548 1.186 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1314400955 YZQCPBCZMRVGIM-LEWJYISDSA-N 440.548 1.548 30 10 IDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316344286 HMURHXVHUZOCFS-AEFFLSMTSA-N 436.582 1.173 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1358912944 BMDAVSARKZTAPC-BBWFWOEESA-N 441.623 1.745 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1358929719 GMCDQMUSSKTUNP-ZWKOTPCHSA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1Cc1cn(C2COC2)nn1 1358942370 SHTZXXLBTBIZHZ-UHFFFAOYSA-N 428.294 1.988 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(COC)CCOCC1 1358970850 YYLPTCCBZDDSOI-QHCPKHFHSA-N 430.549 1.835 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C2OCCO2)c1 1358997306 NMAAKRHBJNDWAW-UHFFFAOYSA-N 433.512 1.957 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccccc1 1359018258 JPIOWYWKBKUWDI-HSZRJFAPSA-N 434.500 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)CC1 1359034899 FZVVOBXUYXZPCZ-OAQYLSRUSA-N 436.560 1.286 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1359038340 SMODFGJCBBXBJS-HXUWFJFHSA-N 436.560 1.932 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(OCCOC)CCOCC2)CC1 1359043916 NRMVFVIFQXXNBA-UHFFFAOYSA-N 445.564 1.334 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1359057089 RZALURSIJXZWNI-BBWFWOEESA-N 441.623 1.460 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359299575 ISQWFKJJNSPZMS-RBUKOAKNSA-N 442.568 1.599 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc(OC(F)(F)F)cc2Br)c(=O)nc1O 1453842160 LABNJIOTSJHHOZ-UHFFFAOYSA-N 447.167 1.912 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 1455114610 GFNMKKLDVDVING-UHFFFAOYSA-N 440.550 1.935 30 10 IDEE COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1456613705 DXPVHJGOCURZKY-VJAMOUOBSA-N 447.513 1.309 30 10 IDEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCC[C@H](OC)C1 1461288732 RUEZOFIUSVYXGW-XYJFISCASA-N 437.518 1.355 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccccc3F)c3c2CCCC3)CC1 1464850834 XEBSABRTMQCCLF-UHFFFAOYSA-N 437.519 1.788 30 10 IDEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1464956600 YGVKJCUHLFMYTN-DOTOQJQBSA-N 439.559 1.419 30 10 IDEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OCC 1468126373 UHXQIULQDLVPAH-MRXNPFEDSA-N 427.523 1.706 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc3ccc(Br)cn23)cc1 1468161497 DNONAWFHNFDGID-UHFFFAOYSA-N 434.275 1.656 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 1471091416 MPFCRJVEYGOKBW-HXUWFJFHSA-N 428.514 1.792 30 10 IDEE C#CCN(C(=O)c1ccc(CS(N)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881169 IBNJNZBCLPZEJR-UHFFFAOYSA-N 435.546 1.950 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CC(=O)N(CC)C3)nnc12 1472594876 HFZOAKWNBOCJGJ-CQSZACIVSA-N 440.529 1.307 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC[C@@H]2CCOC2)c1 1505317270 KSRZHGKEKFDVED-SFHVURJKSA-N 445.545 1.495 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@]2(O)CCOC2)c1 1507552086 KCHABAQBSPDUFE-XMMPIXPASA-N 446.511 1.472 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCSC1 1507648279 MQUVZDRGSLBSDB-HXUWFJFHSA-N 444.586 1.179 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)CC1 1507728929 BPGNSHNFNOSCPF-ZDUSSCGKSA-N 437.513 1.188 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507879642 GHDAJHWWXNEUDO-QIEZACGCSA-N 442.520 1.613 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCS(=O)(=O)CC2)CC1 1507895916 FAILSMAIQKKIIP-CQSZACIVSA-N 445.611 1.116 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1509957193 VOCAWDJDGVCAGX-HZPDHXFCSA-N 442.611 1.289 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1512857726 NTUGYCOZHBTLAG-IXZGEZKWSA-N 444.536 1.702 30 10 IDEE Cn1nnc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@@H](C#N)C2)n1 1517425376 CLYKWIMJXDDPAE-NSHDSACASA-N 448.260 1.147 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C[C@H]1OC 1519499468 MXAZPYBRDMWXMM-AQNXPRMDSA-N 427.505 1.862 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2c(Br)cc(F)c(F)c2F)C1=O 1525829744 YLSMCTZFFCMNHR-UHFFFAOYSA-N 435.152 1.886 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1OC 1536346558 OUDVTXNEPAKAMW-HUUCEWRRSA-N 432.477 1.462 30 10 IDEE C#CCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@@H]1CCCc2ccccc21 1538322024 ARRZCNPPJWPKRC-FXAWDEMLSA-N 427.526 1.691 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1538962361 IIFQCPOKQCEBIK-GOSISDBHSA-N 438.576 1.879 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1539124820 IDPGJSHLOHINOX-SJLPKXTDSA-N 437.566 1.030 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H]1C 1539258440 XCXGSDHWQYIMDY-SFHVURJKSA-N 439.589 1.795 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1539369290 IUUXKOMUVUAZFT-MRXNPFEDSA-N 437.591 1.980 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539429893 DROYRJBUNAURFI-LJQANCHMSA-N 446.596 1.406 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1539491176 MZNGFEHIUBPNFW-UHFFFAOYSA-N 442.593 1.516 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O 1539612855 RHXDVFVVBSQMIV-SJORKVTESA-N 439.582 1.366 30 10 IDEE C=CCN(c1nnc(COc2ccccc2OC)n1CC(=O)N1CCOCC1)C1CC1 1540116048 MAUBJKGQTOVNFV-UHFFFAOYSA-N 427.505 1.879 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1540200939 LPVGLKGFTPIIGU-QZTJIDSGSA-N 448.593 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1540867388 USYXMJNUOSOCOY-SFHVURJKSA-N 437.504 1.834 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540902083 ABKQIYLPHSILNI-IAGOWNOFSA-N 437.566 1.322 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1541275981 MGSXNUNLYXEGFB-MRXNPFEDSA-N 426.477 1.565 30 10 IDEE C=CCN(C(=O)c1cc(F)cc(I)c1N)[C@@H]1CCS(=O)(=O)C1 1542217335 YFZRFZKMUOFXLG-SNVBAGLBSA-N 438.262 1.828 30 10 IDEE CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1543125221 ZTGWRYMNVPKQHH-VCIAZXQLSA-N 446.554 1.736 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)COCCO1 1555556650 IYWBQCAEXTVWSL-QFIPXVFZSA-N 443.504 1.888 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1565590400 ZTLBGQTWHAHIGG-ZBTAVZRMSA-N 432.565 1.473 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(c3cccnn3)CC2)C1 1584229981 XDWJMWDPYOQXAW-UHFFFAOYSA-N 427.306 1.896 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1587626267 JOBDAVDAZUQGRL-PKOBYXMFSA-N 436.564 1.272 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1588069522 PSELYYYVNNKJSO-SFHVURJKSA-N 447.605 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)CCOC)CC1 1588924224 XRKSFQSBNUNISZ-QGZVFWFLSA-N 430.553 1.258 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2nnc(C)s2)CC1 1588930233 QQROXGMQPJZZJA-QGZVFWFLSA-N 443.577 1.888 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCOC2)C1 1589110745 YRHXCNNQMLXEMP-HXUWFJFHSA-N 447.586 1.632 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589567181 BDAFLTYBDRGOCN-PKOBYXMFSA-N 441.598 1.561 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1593800711 UBTRFNHLFGBURC-UHFFFAOYSA-N 426.912 1.860 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)[C@H]1CC 1595477657 XDIWZGQKVCHLHL-RHSMWYFYSA-N 430.484 1.574 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1595550345 CUCKIXWJZQQSAX-QRQLOZEOSA-N 443.573 1.865 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 1595659162 UGKRLCAOPUNVML-INIZCTEOSA-N 431.518 1.077 30 10 IDEE Cc1nc(=NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)n(-c2ccc(C#N)cc2)[nH]1 1610924897 HOVFZRZCNYLWCN-XYJFISCASA-N 425.518 1.534 30 10 IDEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CC1 1611721789 IDOOKWZSVRMZHN-GHTZIAJQSA-N 429.546 1.991 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CCOCC1)CC(=O)OC 1615396176 BPDLHILECOAEGX-HNNXBMFYSA-N 433.933 1.356 30 10 IDEE CC#CC(=O)NCCOCC1=C(C(=O)OCC)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1 1617897040 BKANPKBOTSTLKM-NRFANRHFSA-N 440.496 1.794 30 10 IDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1618682061 ZRSMUUACIILITR-XOBRGWDASA-N 429.864 1.509 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](F)COC 1619630216 QYSANSWRPKOOTN-XCRHUMRWSA-N 446.483 1.522 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CC(=O)NCC(F)(F)F)c1 1620348803 HLVXFTVQMMGEHN-UHFFFAOYSA-N 447.421 1.306 30 10 IDEE COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1620450930 KBGRHYPMWNQPKA-OAQYLSRUSA-N 442.541 1.368 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1625388015 SKGRRDSBFCOYDS-VFNWGFHPSA-N 435.480 1.270 30 10 IDEE CN(C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1625872437 BJDAUMNJHPBIOT-INIZCTEOSA-N 430.571 1.846 30 10 IDEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1627264060 AJIGSNVWJQKFRM-RJCBAWPRSA-N 444.513 1.243 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1632028396 XWSHEFVGXNCHSO-UHFFFAOYSA-N 449.573 1.967 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2CNS(C)(=O)=O)ccc1F 1632672410 SSNHGDOIASICNU-UHFFFAOYSA-N 441.506 1.592 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)OC(C)C)CC2)s1 1633658166 PHUPOHMPTZNBEU-UHFFFAOYSA-N 429.564 1.881 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](CO)Cc3ccoc3)CC2)cc1 1636788481 SRBFNAGBQHCTEX-GOSISDBHSA-N 431.514 1.519 30 10 IDEE COCCN(CC#N)C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1642102795 CDMLOQQMOPRGIC-QGZVFWFLSA-N 443.529 1.721 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC=C 1649540332 VLXIMNDZKWSJSI-CQSZACIVSA-N 429.550 1.307 30 10 IDEE COC(=O)C1(NCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCOCC1 1654457913 HKPIXWKYVFRXDP-MRXNPFEDSA-N 444.532 1.668 30 10 IDEE O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811947 SYTDNQFUKKPKSJ-UHFFFAOYSA-N 443.481 1.645 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 1655019693 GLNWMVQELYZSQC-BHDDXSALSA-N 429.540 1.066 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](OC(=O)N(C)C)C2)c(C#N)cn1CCOC 1670537133 BKULZAKRDXHITP-HNNXBMFYSA-N 435.481 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690042129 VTIBKHMQQVTDIC-AZUAARDMSA-N 440.573 1.940 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1690046404 BWNYVANXUKSGFM-RTBURBONSA-N 449.577 1.033 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1690059821 YOSBCTDXLJIHQW-CQSZACIVSA-N 449.524 1.179 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnn(C)n1 1690097181 CERJFQRZUWANNZ-UHFFFAOYSA-N 449.288 1.505 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1690156517 XPMGOXPIKVGSGA-GFCCVEGCSA-N 446.002 1.278 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1690189936 GWFZZOUHFWLZBL-FOIQADDNSA-N 427.534 1.576 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCOCC1 1690717264 AENGSZJVWSGHDA-UHFFFAOYSA-N 444.355 1.863 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CCC(F)F 1690723543 VJFBKVAYVFAMGY-UHFFFAOYSA-N 431.465 1.698 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(CC)C1 1690724478 PUOMSRWDZNVAOR-QAPCUYQASA-N 430.596 1.407 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1694448573 KPPSAQZLPWDAOY-JTSKRJEESA-N 437.504 1.810 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)NC(C)(C)C 1696332981 WAISCFCAIZACCS-UHFFFAOYSA-N 440.552 1.713 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1705476423 ACQYSQFBKQJUCT-KBPBESRZSA-N 438.554 1.698 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@@H]1OC 1705551119 GZJRTSNDLMJYKS-SQNIBIBYSA-N 449.552 1.707 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1705564166 MEHSDNGXPTWHGC-AWEZNQCLSA-N 427.477 1.540 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1705598198 DFYZOAPHJMVPEW-HXUWFJFHSA-N 439.585 1.952 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1705616217 YWLADHZKVGIHEC-UHFFFAOYSA-N 426.546 1.801 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705664805 BQEZHMQKNKASPS-LAUBAEHRSA-N 435.594 1.777 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1705695405 WIWCMZXUNLBMAB-HKUYNNGSSA-N 432.569 1.845 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1)C1CC1 1705850124 HYUSXFJJWXOOBQ-UHFFFAOYSA-N 442.549 1.527 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1705876476 YWPRXJRPUUYUAE-KRWDZBQOSA-N 445.593 1.919 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)CCN2C1=O 1710173519 OKXTZCZRWQBVBV-GOSISDBHSA-N 437.504 1.714 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1712878318 CCUXAARWSMRHGN-IRXDYDNUSA-N 428.518 1.096 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CCS(C)(=O)=O 1722334606 ZQGPQNJKEBTFIM-UHFFFAOYSA-N 445.593 1.736 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722406612 SRCVLSIRHGRNDD-IBGZPJMESA-N 440.472 1.556 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1722435046 DYOBESXTCVZKCQ-PMACEKPBSA-N 425.581 1.538 30 10 IDEE C#CCSCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1722463787 MXNDROSNAAHOIC-LPHOPBHVSA-N 442.607 1.310 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722491602 BGZHIRPNXWINOW-QYZOEREBSA-N 441.598 1.445 30 10 IDEE C=C(Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1)c1ccccc1 1722539350 NLAMRNHUNBVFEV-LJQANCHMSA-N 426.565 1.963 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccco2)C1 1722690131 FYZABWUZEGLJQB-INIZCTEOSA-N 437.460 1.399 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1722695570 IGCPFLIDCVANER-UHFFFAOYSA-N 430.896 1.980 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1722701556 UUAKSNRIYIFHLS-UHFFFAOYSA-N 444.486 1.773 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722717917 OKVWWKZSCUWZDW-INIZCTEOSA-N 436.534 1.568 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722725604 OTFURPQXWNLCLZ-MRXNPFEDSA-N 444.561 1.436 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722729045 DGUPGVORSTZZLS-MSOLQXFVSA-N 444.561 1.112 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1722732591 NJGVPWLBPCVURI-CRAIPNDOSA-N 429.612 1.814 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1740552916 YLMSDPNYEIYQRZ-IAGOWNOFSA-N 435.532 1.371 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740865775 VSCNZRUDCQFOBP-INIZCTEOSA-N 447.565 1.123 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1740957518 QNAGEROWUKLXKW-UHFFFAOYSA-N 434.479 1.913 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740958480 QEEYJPYEPWYMKO-UHFFFAOYSA-N 430.582 1.978 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1740992173 CFBGTZXIJIBFKH-SFHVURJKSA-N 445.589 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740993513 DKKFXVCXCUMEKH-OLZOCXBDSA-N 426.461 1.571 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CC(F)(F)C1 1741662915 LCCZFUWPVYOSDV-UHFFFAOYSA-N 431.447 1.997 30 10 IDEE CCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1745194594 RZHJJRNUMGAMJC-ZBPHCFQXSA-N 432.569 1.730 30 10 IDEE CCN(c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1745968849 KDJDOGZGUVUFDK-UHHPSXQGSA-N 448.549 1.085 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cnn(CC)c2)c1 1748689359 ASAYGMJWRWQUEO-UHFFFAOYSA-N 448.531 1.737 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1748788384 BNAAFSUCTVSDCZ-ROUUACIJSA-N 449.552 1.852 30 10 IDEE C#CCN(c1nnc(C)n1CC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1748805410 RKCLZECBXFWQNK-MRXNPFEDSA-N 433.500 1.488 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748848451 FLHZPZLMZJUZHT-UHFFFAOYSA-N 448.552 1.635 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(OCCOC)CCOCC1 1748883179 VOVPCSIGPNGDPR-UHFFFAOYSA-N 426.521 1.354 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1748892902 XUKCUSGOYHDIGT-UGKGYDQZSA-N 435.528 1.974 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1748962610 MGRWNKAPPSQHGT-IBGZPJMESA-N 432.546 1.461 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1749051775 NBNQMEOOJUBYMN-HXUWFJFHSA-N 442.545 1.742 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCCCO2)CC1 1749303280 HCOZBMNGWYHQQW-ROUUACIJSA-N 439.582 1.727 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1749401638 BFKYHVLEMWULKR-MSOLQXFVSA-N 441.598 1.829 30 10 IDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749460417 RNQCIEVRPGAXEN-KRWDZBQOSA-N 442.501 1.623 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749461170 OAZMGQNPOZWCJW-JKSUJKDBSA-N 444.561 1.577 30 10 IDEE CC(C)(C)OCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750514767 FGAJWOBHFNRUPX-QGZVFWFLSA-N 438.536 1.917 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2nsnc2c1 1751208178 DHADOTFRYGXDTQ-LBPRGKRZSA-N 446.562 1.681 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1752007702 SALVWYVIZFQLGK-OTWHNJEPSA-N 431.585 1.903 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1760117316 NXBFUNBYYFNIAU-VQIMIIECSA-N 447.561 1.434 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)Cc1ccccc1 1760177406 INRJKDCJJKKHAS-UHFFFAOYSA-N 426.546 1.824 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760190109 YFESDVGHDPIXOP-AEFFLSMTSA-N 435.594 1.867 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 1760242906 RSELSMUFYVLIAE-KCUHQSDYSA-N 443.573 1.560 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(OC)CCOC1 1760243461 LDDCAVWOMYLBCS-HSZRJFAPSA-N 441.507 1.985 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCN2CCN(C)C(C)(C)C2)n1 1760251561 CKCUETWBQXHSFO-UHFFFAOYSA-N 428.585 1.095 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCOc2ccc(OC)cc2)CC1 1760259740 GRGCJJPGXFOWJA-UHFFFAOYSA-N 435.532 1.912 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760300090 SEARZHCRPFGZLR-OCCSQVGLSA-N 439.358 1.820 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1)C1CC1 1760477082 OUKRDYIAXFHZKX-OKZBNKHCSA-N 437.610 1.834 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1760504741 ACWZVSKUNJIVOP-OAHLLOKOSA-N 425.942 1.916 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760526589 CPQDUGPGAWBKGY-UHFFFAOYSA-N 431.585 1.943 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760528034 PYDHWXBONYOMEG-NRFANRHFSA-N 444.923 1.529 30 10 IDEE CC(C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761249157 GHSJEFABCNZKOM-UHFFFAOYSA-N 446.515 1.714 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1766957945 BYRKUNMRLDYOFP-IBGZPJMESA-N 428.562 1.926 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)CCO1 1770746500 AOPWNLQWSHGQAY-LSDHHAIUSA-N 437.472 1.430 30 10 IDEE COCCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1771019584 ZMFQEYVEZQJBOK-KRWDZBQOSA-N 440.570 1.168 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 1772567139 OUGRVQPIPJPCLC-MRXNPFEDSA-N 446.581 1.699 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 1853216397 BYAYZJUUNGWVLJ-IBGZPJMESA-N 449.511 1.680 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1 1853402810 KUTRBWKQYZSAQB-UHFFFAOYSA-N 431.541 1.952 30 10 IDEE COc1ccc(C(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)cc1N1CCN(C)CC1 1867223450 ONSHHTZKBXPXRZ-IBGZPJMESA-N 437.500 1.048 30 10 IDEE CC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868783294 QIXSCOAJKZQFQE-CRAIPNDOSA-N 431.562 1.220 30 10 IDEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc2c[nH]nc2c1)N1C(=O)c2ccccc2C1=O 1870143028 SFGOXJZBANIEHC-LLVKDONJSA-N 426.396 1.638 30 10 IDEE Cc1ccnc(N=c2ccc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)n[nH]2)c1 1890281997 NUEKOXWWWVVMIC-UHFFFAOYSA-N 435.513 1.728 30 10 IDEE C=CC1(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 1993280583 OUZSCZVAYLCRNV-CABCVRRESA-N 425.526 1.896 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C=Cc2ccc3c(c2)OCO3)CC1 2040430361 QOCQLCOCZMNSMA-UHFFFAOYSA-N 425.466 1.833 30 10 IDEE Cc1ncc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cc1C#N 2174785842 CVJAXAJVHBMYRZ-RBUKOAKNSA-N 430.486 1.624 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2178285505 LPUAFWOKTYIEDU-UHFFFAOYSA-N 443.132 1.678 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255627644 WMZHETJBLHFVCF-CYBMUJFWSA-N 438.334 1.057 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1 2255769892 SNNBNFWQVZMRFU-KRWDZBQOSA-N 446.382 1.272 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2257490348 AQRHCGCGVMXBGV-HNNXBMFYSA-N 435.330 1.305 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266996631 PYZCWJBJUKJGPH-WMLDXEAASA-N 447.341 1.650 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267118799 NYIHLHNGOSPZFB-QGZVFWFLSA-N 439.369 1.851 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO[C@H]1C2 2267143178 DTPYHYLQIBNJPC-YPENRWOSSA-N 448.329 1.263 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267183300 MGRQYMSWFANFHB-RCDICMHDSA-N 446.357 1.849 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2267185405 UWGQGFOWWMBMEU-GJZGRUSLSA-N 446.357 1.658 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267263126 AXLNMSCIQYMCLZ-UONOGXRCSA-N 449.361 1.538 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H]1C1OCCO1 2267361473 BXINUHBGKTZGNL-CYBMUJFWSA-N 429.369 1.882 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCCOCCCO)cc2Cl)OC1(C)C 2282309414 FHRROPPNAJLHEX-UHFFFAOYSA-N 425.765 1.378 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1C 2337320362 YFSOGEUFFZVGGK-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)CC1 110576144 MMDRRHIGVSAEPU-FKBYEOEOSA-N 438.572 1.906 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@H]3CCCN(CCO)C3)nc2)OC1(C)C 204882656 PRKLDOHEVNZDAD-MRXNPFEDSA-N 439.387 1.034 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CCC1 430981774 XXKNCYRGROSJKS-UHFFFAOYSA-N 437.550 1.664 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)C2=O)cc1 488261439 XGXFPHLDKYFONE-LEWJYISDSA-N 431.496 1.932 30 10 IDEE COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 489087670 JMOWXUXAVMCTSM-UHFFFAOYSA-N 430.486 1.397 30 10 IDEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)n2)c1 501878266 ZBDUNGXSRBXNGF-MRXNPFEDSA-N 439.497 1.516 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508510954 SLSCEZKUEIUHHX-RUZDIDTESA-N 449.603 1.935 30 10 IDEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 514475086 LAYSGHGGEBFAHA-GOSISDBHSA-N 435.505 1.501 30 10 IDEE N#CCCN(C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)c1cccc(Cl)c1 590930134 ZIECLTVISVYRIS-UHFFFAOYSA-N 433.940 1.063 30 10 IDEE Cc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668990 WYOUFPQYEXOAQZ-UHFFFAOYSA-N 441.516 1.637 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(OC)c([N+](=O)[O-])c3)c2=O)c1 730250843 CBFKOGQZSYLSLO-UHFFFAOYSA-N 428.429 1.824 30 10 IDEE Cc1nc(=NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)n(-c2ccc(C#N)cc2)[nH]1 741946452 SLTLRXJYLNMFEB-UHFFFAOYSA-N 442.476 1.947 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 742408370 WCLDQKJKOYSETG-UHFFFAOYSA-N 434.543 1.612 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 742662463 AJORHRZETYJVIK-OOESYIKTSA-N 426.502 1.550 30 10 IDEE CS(=O)(=O)[C@H]1CC[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 752214417 BEVZJHKKORRCTQ-WMZOPIPTSA-N 440.543 1.468 30 10 IDEE COC(=O)[C@@H](OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C#N)c1 755188232 VHVNGMIRNIJQGH-WMZOPIPTSA-N 445.472 1.831 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)C1 758774221 ULIGVSZIPQIMHJ-YLFCFFPRSA-N 434.493 1.873 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@H]1CCCO1 772900083 LLXLFYJYJFGFDT-GOSISDBHSA-N 446.532 1.419 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 774248662 DWZMSUCVQBDWDN-KRWDZBQOSA-N 447.605 1.781 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)n1 790107624 GXKSASQBXCAYSP-FQEVSTJZSA-N 425.468 1.409 30 10 IDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)cn1 794596797 PVQJNNPEIRNPJV-UHFFFAOYSA-N 439.425 1.936 30 10 IDEE CCOC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCOCC1 795323239 FRHABZZSZKDOLI-OQKWZONESA-N 437.518 1.798 30 10 IDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 796098830 YMXTUGUWQGXACI-LJQANCHMSA-N 448.566 1.620 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)NCc3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796422977 XELWPGDJRLBCEK-WIYYLYMNSA-N 437.500 1.839 30 10 IDEE C[C@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 799858752 DLDZPWACNPPTBQ-ZBFHGGJFSA-N 437.541 1.160 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(O)(c2ccc(Cl)cc2)C1 802668967 JCBHFXAXKDHQAR-UHFFFAOYSA-N 433.917 1.889 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 804389654 IYJMTCUHLCNFRU-AWEZNQCLSA-N 444.513 1.311 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 810091286 NVCJTFDIIPAEPN-INIZCTEOSA-N 428.518 1.038 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)C)CC1 812210548 IFCBNDGJLQJMII-SFHVURJKSA-N 432.569 1.998 30 10 IDEE CN(CC(=O)NCc1ccc(C#N)cc1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192655 OEOYVTRNHYAUJN-UHFFFAOYSA-N 429.521 1.186 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)NCC3CCC3)CC2=O)cc1Cl 1136633868 FLZQMCYHLOXGIH-HNNXBMFYSA-N 438.937 1.400 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CN3CCOCC3)C2)s1 1139132503 MPDTXQIHAYHRKO-MRXNPFEDSA-N 427.592 1.326 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811524 OJUJPQUAQSYAPZ-HXUWFJFHSA-N 440.525 1.648 30 10 IDEE C=CCN(C(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCS(=O)(=O)C1 1142059773 YYYLVRHDNGKIAL-YWZLYKJASA-N 441.550 1.734 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c1 1142659917 ZLRXBZLOKDLJHH-CALCHBBNSA-N 434.420 1.541 30 10 IDEE Cc1nc(S(=O)(=O)NCC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cn1C 1153815230 QLOMCVBHQWEPRI-UHFFFAOYSA-N 426.348 1.092 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1154131313 NJZHGLLWVRDHIR-CQSZACIVSA-N 433.486 1.495 30 10 IDEE CS(=O)(=O)C[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1159248736 MYMZLAWCCGJVMQ-LBPRGKRZSA-N 426.336 1.650 30 10 IDEE COC(=O)[C@H](Cn1ccnc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1161210594 IMNNOSVZYLIVSW-WZHMAMEKSA-N 431.493 1.328 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1161798124 UVNBOQOBXZLYSG-HNNXBMFYSA-N 445.497 1.566 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1163263314 GNVQZOWSTPWAAV-VBKZILBWSA-N 436.497 1.517 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1286277985 JYFOZWRYKQBWGD-UONOGXRCSA-N 431.522 1.102 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286387186 BEOXGVVMNTXSSZ-UYAOXDASSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286389860 RWYAYSUFEDRNSR-KRWDZBQOSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1286394589 PCYYVCNJHMAOIZ-LJQANCHMSA-N 443.573 1.707 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC(C)CC2)CC1 1286473049 NVJHVZCEFDSSPH-QHCPKHFHSA-N 430.597 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC(=O)NC(C)C)CC1 1286494373 MUEAZMXXFNZKHA-UHFFFAOYSA-N 428.581 1.891 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286513036 PXBPAQCWAFWVBS-RZQQEMMASA-N 436.534 1.799 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286612968 ZXCOLRJQYDSCGU-KRWDZBQOSA-N 441.598 1.673 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cnccn2)CC1 1286791722 AJEGBPOIEKETIV-UHFFFAOYSA-N 448.531 1.584 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1 1288550592 CMTBYVWLGKNRBZ-QGZVFWFLSA-N 425.537 1.915 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1)C(=O)OC(C)(C)C 1292855976 BOPXMCXJYUUGNT-UHFFFAOYSA-N 434.581 1.792 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)c1cc[nH]n1 1299360583 JEZQRCDYHDNNCP-CQSZACIVSA-N 437.497 1.598 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)cc1 1300125188 BZDLDUADRWKADI-SFHVURJKSA-N 433.534 1.235 30 10 IDEE C#CCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424859 NNKUGMIRLBOMBJ-MIZPHKNDSA-N 431.581 1.889 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Cl)cn1 1300663662 GUHJWVXLEYATDZ-UHFFFAOYSA-N 431.884 1.642 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC(F)(F)CO2)CC1 1300719787 PZVFHVQVLOPSIJ-OAHLLOKOSA-N 431.447 1.125 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1300734214 UEZQCRBQWQOLSC-DLBZAZTESA-N 440.639 1.319 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1301297402 PUJFRFAVKGRBSX-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1301497175 QPDCFURWDXHBCK-UHFFFAOYSA-N 448.531 1.763 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1302596195 HBGWTDCRBIJETG-HXUWFJFHSA-N 432.546 1.490 30 10 IDEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCCCS(C)(=O)=O 1304852598 NGRHHECFFJUVML-UHFFFAOYSA-N 447.565 1.865 30 10 IDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1313998912 FFYBPRXNUUPPBD-KRWDZBQOSA-N 440.552 1.530 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1316096147 DFYXQFRBCPCVCA-NRFANRHFSA-N 445.545 1.229 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1NC(=O)CC1(C)C 1316101877 PGMFULCBYRXESW-QGZVFWFLSA-N 428.541 1.421 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1358892515 AWEUIUZITVMITD-XMSQKQJNSA-N 426.590 1.930 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358898293 PNTZJVRHDYZJPJ-SJLPKXTDSA-N 442.545 1.611 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1358919252 XTWIDYMERMAUMA-IBGZPJMESA-N 443.596 1.353 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1358957814 AUFMQSHUBKEUTE-INIZCTEOSA-N 444.517 1.797 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358965681 ZFCWSMDVXVTMQH-PKOBYXMFSA-N 429.546 1.317 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1358985087 ORMKNATXYFQQSM-SFHVURJKSA-N 434.610 1.616 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NC 1359016245 VIPQYIIWDZMJPH-JOCHJYFZSA-N 429.496 1.845 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)CC1 1359036045 LCDXXDVQXQMZOI-LJQANCHMSA-N 448.637 1.200 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359141448 HLNHVOSVHMWQJL-CHWSQXEVSA-N 426.930 1.936 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359207484 MEFOYFZOXPCNTM-UHFFFAOYSA-N 429.569 1.225 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359304502 ZJEMQOXMMTVYGS-QGZVFWFLSA-N 447.561 1.481 30 10 IDEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1359307701 SCVRKLZSHHFYAA-UHFFFAOYSA-N 442.545 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)[C@H](C)C1 1359331190 QAUJTKHMHQCAKB-GOSISDBHSA-N 448.593 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359331847 JFGSMLOTMZUVER-IEBWSBKVSA-N 448.593 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359334433 FNOYXLMZSIGYEN-QGZVFWFLSA-N 444.623 1.625 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)CC1 1455116435 YRTSGGIOOIGLHL-UHFFFAOYSA-N 445.520 1.116 30 10 IDEE N#Cc1ccc(OCC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Br 1458285865 DFTLYGJGRZHAMY-CXAGYDPISA-N 443.319 1.552 30 10 IDEE N#C[C@]12CN(C(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1463163192 MCIBZYPRSOULND-IUGCZABJSA-N 427.526 1.335 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1466064705 QUQJXPNXJRFSBT-LISAXSMJSA-N 426.521 1.888 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc3ccc(Br)cc3c2C)CC1 1471451453 SSCXAQQIYBCJRI-UHFFFAOYSA-N 440.319 1.729 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC[C@@H]1C 1504500876 IRTOKSOOGZNEQQ-FXAWDEMLSA-N 438.532 1.927 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507530373 XURAKVSEROYAAS-GDBMZVCRSA-N 425.459 1.790 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2ccn(C)n2)c1 1507550286 WJMJZPGITOWLAT-UHFFFAOYSA-N 441.499 1.768 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507640200 QBIFNDYYFOBSOF-XMSQKQJNSA-N 446.573 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccc(C(F)F)n1 1507644596 KWVPVHZPKPQTPP-UHFFFAOYSA-N 446.425 1.770 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1507653863 RUJITRVUTPYZEA-LJQANCHMSA-N 442.541 1.327 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCn2ccnc21 1507704138 QLECGPQIKRZSHA-XMSQKQJNSA-N 428.537 1.790 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1507752607 CPRNQAYLCVVRBO-UHFFFAOYSA-N 430.578 1.216 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507953188 DMQNCLCSUNTZQY-MRXNPFEDSA-N 438.598 1.777 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508087253 CCPUSTREEYYYPI-IBGZPJMESA-N 442.568 1.268 30 10 IDEE CCOCc1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1516597894 TZFZPAIMCXZVGL-QZQOTICOSA-N 443.552 1.406 30 10 IDEE CCOC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1516635113 AAKYPEZWAFQBJZ-SFHVURJKSA-N 446.577 1.961 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCn2cnnn2)cc1 1521094222 CCBPXJXVUDKQEI-HNNXBMFYSA-N 433.398 1.661 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1521759406 LJXKMSWRBLOIQM-OAHLLOKOSA-N 432.889 1.936 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1539035817 UVQIRHDSRYUKKI-DFQSSKMNSA-N 430.597 1.819 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1539178338 GYJBRWZYXJQWFW-LJQANCHMSA-N 443.573 1.703 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1539204982 DHCDEOCYINJPLA-ICSRJNTNSA-N 446.573 1.986 30 10 IDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1539220642 UKRBFLPXOVHMPQ-KRWDZBQOSA-N 434.949 1.674 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1539311497 PFOVUNKFGIOGDA-QGZVFWFLSA-N 429.521 1.971 30 10 IDEE C#C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1539807973 NQZFDDQMFHZJLJ-KRWDZBQOSA-N 426.922 1.519 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540026583 HSGMMWMOYJWUMG-IBGZPJMESA-N 426.521 1.760 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cccnc1OCC(F)(F)F)c1cc[nH]n1 1540839675 AXAOQXDDJQICOZ-UHFFFAOYSA-N 429.355 1.346 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C#N)C1 1540862764 IRGSSQGHQBVDDE-VQIMIIECSA-N 440.504 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540905195 RGIXLWXMLPHPDW-HNNXBMFYSA-N 432.612 1.481 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCC[C@]2(C)NC(=O)NC2=O)n1 1542720369 LSRHEBRSZNRBLY-KRWDZBQOSA-N 435.535 1.507 30 10 IDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)C 1554636399 GHESXWHUCNDIIS-LPHOPBHVSA-N 446.577 1.958 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cccc(Br)c1I 1556750510 NGGHBYCSDMQEEV-MRVPVSSYSA-N 425.020 1.774 30 10 IDEE COc1cc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)ccc1S(C)(=O)=O 1560234462 FRFVIFMJYRMIDW-AEFFLSMTSA-N 436.578 1.442 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 1561182656 FAKPPZFBCXYZFE-KRWDZBQOSA-N 435.546 1.710 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)C(=O)C1(C)C)c1cc[nH]n1 1569705402 KFRUAEDJJHMCED-UHFFFAOYSA-N 441.488 1.343 30 10 IDEE C[C@@H](CC(=O)NCc1cnc(C(F)(F)F)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1584387183 JFNGDCVJSRULIN-JTQLQIEISA-N 427.408 1.629 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCOCC1 1587811097 WTMAPHKOJZSFCF-LJQANCHMSA-N 448.541 1.403 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588025166 UMJJHVOJQDKZFT-MSOLQXFVSA-N 449.577 1.100 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1588028921 ARDKRCBWGPBUCD-IBGZPJMESA-N 443.573 1.826 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588055149 SJJCGTFFDSUTQY-WJFTUGDTSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1588068978 DHUQRZIJYJUAPL-PKOBYXMFSA-N 441.557 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1588233303 GODIEEZYAKGSRR-OAHLLOKOSA-N 429.493 1.119 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncn(C)n1 1588473520 OHNITAYXCNAUEK-QFIPXVFZSA-N 439.495 1.886 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCSC2)CC1 1588865299 SFGABRPJGLKMPE-INIZCTEOSA-N 430.603 1.778 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccnc2)CC1 1588884803 NMHWFQIKFMWGQD-UHFFFAOYSA-N 435.532 1.118 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588908134 KWZNBFBTWFFXOA-NHCUHLMSSA-N 437.544 1.962 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1589070675 WAMFBJIVMDTTGM-SJORKVTESA-N 441.623 1.256 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589528537 HCYCULACJOEJFZ-DFGXFYAUSA-N 432.525 1.487 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1593757436 DSWZYTJGZXENBQ-UHFFFAOYSA-N 447.609 1.437 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595556010 MCYORKDYJYUTTM-SFHVURJKSA-N 440.548 1.532 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1595934069 SSPTZXNIQSUPLJ-QHCPKHFHSA-N 435.532 1.742 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CCO1 1596640697 BCTOITASEFSBPG-OAQYLSRUSA-N 435.532 1.420 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1596781280 AGEICDAVHMRTLX-LSDHHAIUSA-N 448.549 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 1603607999 GIYVXOFLDJAMOM-UHFFFAOYSA-N 427.567 1.425 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1610337943 UUKKIHJLVUVICC-IIBYNOLFSA-N 434.541 1.339 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1612998628 PUOYDEDSGJDVKG-SJLPKXTDSA-N 444.561 1.446 30 10 IDEE CCN(CCCn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1615624840 DDEZWARAQJYRHQ-IBGZPJMESA-N 435.529 1.377 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1 1618295094 LMHUYSWHCUWKQL-HNNXBMFYSA-N 433.310 1.916 30 10 IDEE COC(=O)CN(CC#N)C(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1618330776 RVLFXAKWFOAKAV-INIZCTEOSA-N 430.461 1.603 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619602845 LMUVAYKNIFBAHB-WMZOPIPTSA-N 428.493 1.716 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1620354925 DSGRQANHVLYLSW-KRWDZBQOSA-N 437.891 1.793 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCOCC2)CCO1 1620356160 SWTCPNVUKNTTEY-CQSZACIVSA-N 446.458 1.158 30 10 IDEE N#CC1(C[C@H](O)CN2CCC(n3nncc3I)CC2)CCOCC1 1620421140 ASCAUJKBADJFKC-AWEZNQCLSA-N 445.305 1.591 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 1632394834 RIGIMNHQVSZBAB-UHFFFAOYSA-N 435.527 1.798 30 10 IDEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1636389686 GMBJAPVIZPPUGD-INIZCTEOSA-N 434.440 1.112 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 1636475616 PRRAOZGBRACCCF-UHFFFAOYSA-N 440.363 1.483 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3CCS(=O)(=O)CC3)C2)C1 1637944223 INPMOKHSCFOCQB-LFDOHDQPSA-N 425.551 1.714 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1F 1639168986 RMGUIRFRKOMPQC-WMZOPIPTSA-N 426.510 1.730 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CC[C@@](O)(CC#N)C3)c2C(F)F)C1 1639946778 RSBMUHJYWIMBOA-BUXKBTBVSA-N 440.451 1.888 30 10 IDEE O=C1CN(S(=O)(=O)c2cccc(C(=O)N(O)CCCCc3ccccc3)c2)CCN1 1641862006 OGLYFYVHNONAGP-UHFFFAOYSA-N 431.514 1.661 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 1642410588 IHMCJGXDKWAFCL-DVOMOZLQSA-N 442.921 1.433 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cc(Cl)ccn2)CC1 1645945288 CBAJQIXHFGMLMV-UHFFFAOYSA-N 433.921 1.512 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)c1 1653611563 JEOASZKQLPALDQ-ICSRJNTNSA-N 439.560 1.629 30 10 IDEE C[C@H](NC(=O)[C@@H](C)N1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(S(N)(=O)=O)cc1 1654466027 LEIAEMULAKPASV-JKSBSHDWSA-N 441.557 1.852 30 10 IDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1655004524 AXZZHMZBBBGLSW-GOSISDBHSA-N 441.463 1.359 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CCOCC1 1674589684 DAOZHDPAXOCRGM-KRWDZBQOSA-N 425.938 1.784 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OCCC)c(OC)c2)CC1 1675795820 HEEGKVKEDCVHQF-INIZCTEOSA-N 438.550 1.340 30 10 IDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1)C1CCOCC1 1684034846 FJUHEPQHTMHTHO-SFHVURJKSA-N 445.516 1.608 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1684989424 VVVRGNWBOSXJDN-UHFFFAOYSA-N 437.541 1.779 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(CS(C)(=O)=O)CC1 1689856107 JQJVLOARCUEYLG-INIZCTEOSA-N 426.546 1.799 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1689892674 KWIMEOCLACPZGD-KRWDZBQOSA-N 446.552 1.844 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1689892836 NZGMLABVEQNTIN-GOSISDBHSA-N 435.550 1.952 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1689928237 KAIQJLOREOWADP-HFSMHLIXSA-N 438.580 1.895 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1690019982 WCVIRTOPYAJFML-LJQANCHMSA-N 427.530 1.041 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCN1CCCS1(=O)=O 1690091149 KJFWWMIFEDWBPY-GOSISDBHSA-N 447.536 1.596 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690172356 CYHOZNIKPBFZCC-HOTGVXAUSA-N 444.565 1.418 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)NC 1690200449 YVSPLXATABQTGA-HXUWFJFHSA-N 433.534 1.504 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1692558556 GGDUXTRTFBWVGM-HXUWFJFHSA-N 437.548 1.642 30 10 IDEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)OC 1695114430 BUHZMFSOONWAIE-OALUTQOASA-N 442.520 1.495 30 10 IDEE CCO[C@]1(c2nnc(N(C)CC3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1696042086 QFVDELKAHOFAEX-ZSVKVYQISA-N 444.536 1.693 30 10 IDEE CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1696170399 GUDUWWBAOJAGPY-FOIQADDNSA-N 447.565 1.860 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@](C)(C#N)C2)n1 1696886171 CRPKDGPJKHXDJL-QGZVFWFLSA-N 445.329 1.748 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1698155789 LPBYKDIVJJSODE-MXLIYFDZSA-N 432.525 1.909 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)N(C)C 1698258444 OVOLMXSLQPPNPD-JTJHWIPRSA-N 438.532 1.834 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCNS(C)(=O)=O 1705485177 FNYOQBJJEACLQJ-HNNXBMFYSA-N 435.550 1.748 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[S@](=O)CC)c1 1705507385 ZPUVPBZVAFLJHE-NMEJYPJZSA-N 442.545 1.054 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1705568833 VUVWAXYJDRBWFV-HNNXBMFYSA-N 435.575 1.696 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1705634429 VJWXKDZHBRHFGA-INIZCTEOSA-N 444.517 1.043 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705656615 CRDAOYREGFRRGB-UHFFFAOYSA-N 442.589 1.530 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C 1705671560 OQIRMULWBACLDJ-OAQYLSRUSA-N 445.545 1.994 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1705674640 NJLYUYCOMHAGBQ-FUHIMQAGSA-N 437.566 1.030 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705681316 RQVCVXGNANXHNQ-OLZOCXBDSA-N 430.303 1.552 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705725911 XILQVRKFDXJWIT-ULQDDVLXSA-N 446.552 1.877 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1705799050 KDPQQHHMCQZZIR-QGZVFWFLSA-N 426.583 1.904 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(OCCN2CCCC2)CC1 1705899661 BNVDOSGPLYOQSB-UHFFFAOYSA-N 439.564 1.724 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3cccs3)CC2)nnc1[C@]1(OCC)CCOC1 1705909447 XNCUKGDMGQTZPI-NRFANRHFSA-N 446.577 1.621 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1706657179 DYWHQBDSOJTPGB-UHFFFAOYSA-N 443.577 1.682 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)C1CC1 1708531503 DABLHQPMQZJFCS-JKSUJKDBSA-N 437.552 1.695 30 10 IDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)CC1 1710343746 MSYWHHSMCZENMZ-UHFFFAOYSA-N 427.509 1.617 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1711756318 CUMVEMJJASVYOS-MRUHUIDDSA-N 431.468 1.944 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1712391082 ZQVQWIIWTRGKNK-JOCHJYFZSA-N 437.504 1.668 30 10 IDEE COCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1712614751 UYWCFNRCFKHPAM-MOPGFXCFSA-N 426.521 1.823 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1712883732 XULRSZDVIWEGGG-GVDBMIGSSA-N 448.321 1.976 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722361003 DGTNYKKYLFNSQZ-RXVVDRJESA-N 430.530 1.377 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722361656 IPNFBLTZSKSROH-LJQANCHMSA-N 439.541 1.749 30 10 IDEE C#CCN(c1nnc(C)n1CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCS(=O)(=O)C1 1722366439 RPHJMVDVQZJKIQ-MRXNPFEDSA-N 427.452 1.870 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722367469 WGTWKJOTJBNXPR-DENIHFKCSA-N 444.557 1.605 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722368486 SJHAKIPBBYBKFO-QGLXBCBXSA-N 436.578 1.614 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@@H]2OC)CC1 1722440568 KGQORBIZTRCIHE-MSOLQXFVSA-N 442.589 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C2CC2)N(C)C)CC1 1722446315 ROEBZJPGRFPMJK-NRFANRHFSA-N 435.576 1.955 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722519350 CIJZMTWDJOMRFV-SJORKVTESA-N 447.517 1.886 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1722583275 RNVPXNAUMWEWMG-SFHVURJKSA-N 435.594 1.889 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C(N)=O)nc1 1722636858 CBHYTWFFMRARMT-UHFFFAOYSA-N 440.533 1.403 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)NC(C)C 1722689534 UYSVYNUYOIXXQJ-UHFFFAOYSA-N 438.330 1.299 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccn2)CC1 1722693739 YYBQKSQTNZCDNY-UHFFFAOYSA-N 449.475 1.272 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722727568 PGGFMVJXAAHJCS-SFHVURJKSA-N 428.580 1.161 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722729256 HAVGFAKMWROOCW-UTKZUKDTSA-N 447.561 1.249 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1724686948 XCJPJPRBOYLZPC-KHOFPDMRSA-N 447.499 1.433 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@H]2COCCO2)cc1 1731185131 RLBNXCQCFKZOEP-HKUYNNGSSA-N 440.504 1.236 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1740549073 DJLZNPMJVCTVCA-UYAOXDASSA-N 445.589 1.928 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC 1740681775 VFGIEALVHMFUEZ-UHFFFAOYSA-N 434.518 1.237 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C2CCCCC2)CC1 1740694325 GMBOVCDHGDHZDZ-HXUWFJFHSA-N 427.597 1.639 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccco2)N(C)C)CC1 1740700525 CBIQICRIQLOBHE-ZJOUEHCJSA-N 442.564 1.653 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(C)(C)O)CC1 1740703567 XLZKFKYKAXKFLN-UHFFFAOYSA-N 440.504 1.980 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740883575 ZCTKZZNQRTZUTP-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1740888844 WXESWGQVRFMVAG-INIZCTEOSA-N 429.587 1.686 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC=C 1740899560 NPTSPFDNICSYKN-UHFFFAOYSA-N 431.566 1.675 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)cc2)C1 1740980037 NEVMFXHUPZQGCZ-OALUTQOASA-N 438.532 1.749 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC1CC1 1748679875 JZFUBBTYUJSOJO-HXUWFJFHSA-N 449.603 1.627 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 1748694591 JQCDRFBVHGZWAG-QGZVFWFLSA-N 444.561 1.178 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1748731954 OYNVLBMCTAYFKQ-QGZVFWFLSA-N 446.577 1.637 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1748752288 URKAKXDHPPCNCA-MSOLQXFVSA-N 431.566 1.643 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCCn1cnnn1 1748837296 BISFUECBPOLSCO-UHFFFAOYSA-N 425.294 1.857 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1748864383 WFLRIKHATOUAOY-UHFFFAOYSA-N 436.907 1.501 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1749040075 LPYYPAQWXQKKET-UHFFFAOYSA-N 444.580 1.633 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1749047589 AADMZHXNIHUBQK-UHFFFAOYSA-N 435.579 1.888 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749140397 OQGMZQHKJGGQFJ-JZXOWHBKSA-N 444.540 1.328 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1749193767 PKXGGZZOQOLSPB-HUUCEWRRSA-N 436.538 1.841 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749450316 BYNKAGGOARZGKX-INIZCTEOSA-N 448.549 1.532 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1749489143 RORXFNVHLJLEJG-KBPBESRZSA-N 431.509 1.669 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1760110483 DXBVNDSLQQCEPM-CQSZACIVSA-N 428.518 1.085 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1760220308 ZCIGXYUJDBPBBU-LPHOPBHVSA-N 448.483 1.242 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1760248317 ILLHFEDECHUHEM-IBGZPJMESA-N 438.532 1.200 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1760265035 LTPKCILURCBHGT-FQEVSTJZSA-N 443.640 1.641 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760283046 ZPVCMVVBANSBCP-UHFFFAOYSA-N 433.603 1.859 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1760464122 ABIIXSWYJGNGDF-AWEZNQCLSA-N 426.568 1.300 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1760527525 ZOXMCBKNLHICPC-MRXNPFEDSA-N 443.577 1.852 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1=CCCOC1 1761234461 PWRAZDJHZHFDRB-UHFFFAOYSA-N 436.520 1.356 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCOCC2)CCOC1 1772844928 YPGNLQIVALEQBW-QFIPXVFZSA-N 432.569 1.781 30 10 IDEE O=C1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1CCc1ccccc1 1851940920 PFORTLDAHGVYJD-CQSZACIVSA-N 431.436 1.948 30 10 IDEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3nc[nH]cc3C#N)c2C)C1 1853354275 JIOKQKYTQFSMCQ-ZDUSSCGKSA-N 435.410 1.805 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(C)c3)C(C)(C)C2=O)CC1=O 1854715392 HDFXDWNYDZKQNJ-INIZCTEOSA-N 433.530 1.168 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1=O 1854955835 SUZKAXKBBNQUCT-GOSISDBHSA-N 439.965 1.881 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CCC2=O)cc1 1855647867 FGUIDKORUHJMKR-GOSISDBHSA-N 429.542 1.838 30 10 IDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)CC1 1855838966 ZBUIYHPHHUDWCP-CQSZACIVSA-N 425.457 1.907 30 10 IDEE CN(C[C@@H]1CC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1856235670 NMMBZGPSORYSIH-WCQYABFASA-N 428.390 1.134 30 10 IDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C1)CC2 1857211954 DOPSQGJSJUNJRK-QZTJIDSGSA-N 429.542 1.851 30 10 IDEE N#Cc1cccc(C(=O)N2CC[C@H](NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)c1 1858298085 DYYLIBZUZCLGTA-SFHVURJKSA-N 438.509 1.878 30 10 IDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1866335838 VXLPCJVJOJQDPO-LBPRGKRZSA-N 429.882 1.190 30 10 IDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccncc2)cc1 1870155846 IPOZWHQMVLMREY-UHFFFAOYSA-N 432.488 1.858 30 10 IDEE CN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCN1CCCC1=O 1870347414 CLHLRDQKRJRDOU-UHFFFAOYSA-N 438.528 1.736 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N3CCOCC3)ncnc21 1873645120 JMBFKNSOQJJKHS-UHFFFAOYSA-N 446.467 1.932 30 10 IDEE C#CCN(CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)C(=O)OC(C)(C)C 1895864111 GXNUMPBGAIXOLU-JKSUJKDBSA-N 425.526 1.591 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 1910958960 CAFOVBIHNWTYMU-OWCLPIDISA-N 443.541 1.305 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 1985006341 BWERORUJQGRJQC-HRCADAONSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243369921 INQSYBGEQORIHR-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404229 IZTBLKJCIUVESQ-LBPRGKRZSA-N 440.375 1.995 30 10 IDEE CC(C)(C)OC(=O)NCC1CC(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248419725 GRJHOGOLBKAOIJ-UHFFFAOYSA-N 438.359 1.749 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255623641 PQRRQYCWYJATRN-UHFFFAOYSA-N 434.346 1.658 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255709509 XCMRMCSCZKPWNR-UHFFFAOYSA-N 438.330 1.928 30 10 IDEE CC1(C)OB(c2cccc(CS(=O)(=O)NCC(=O)NCc3ccccc3)c2)OC1(C)C 2255803592 QQIMMRFZUZJYSC-UHFFFAOYSA-N 444.362 1.722 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)[nH]n2)OC1(C)C 2255826758 RSBAXXFWYGJNRN-LLVKDONJSA-N 430.236 1.240 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255836724 DBXRCTALOCDNPW-QWRGUYRKSA-N 447.288 1.971 30 10 IDEE CN(Cc1ccccc1)C1(CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCC1 2267119263 TYHGMDFGELLCDF-UHFFFAOYSA-N 439.369 1.899 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267182446 GQCOOAHYUDPBIS-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267263920 LITCZOJFLBTHFR-NEPJUHHUSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267275278 MBFUCKHWCRHDTF-QGZVFWFLSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267278687 DYXPVHSGADUZAQ-SJORKVTESA-N 447.341 1.793 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267288731 GJXGDJATPRIUGO-HNNXBMFYSA-N 449.357 1.860 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267499496 USSKIERMQGIQRB-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267549960 SIYOGMMBTQMSHK-GOSISDBHSA-N 439.369 1.851 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2337204229 IPXPVPZITBCXIS-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 59886749 AQTFUXKGVFIKIP-FBCYGCLPSA-N 444.477 1.553 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 60839122 YTLVLVFVYWYFJE-UHFFFAOYSA-N 431.518 1.659 30 10 IDEE COc1ccc(N2CCN(CC(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)C2=O)cc1 238957362 YCKFFNICXGUWKG-GOSISDBHSA-N 436.472 1.669 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)C2=O)cc1 426241983 FAXKOXACVHJOLS-WOPUCXHBSA-N 432.524 1.862 30 10 IDEE Cc1ccc(-n2cnnc2)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 435389317 KAMHITYFEOQOSB-UHFFFAOYSA-N 436.497 1.594 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](CN2CCCCCC2)C1 460570436 DFUVHAUHVRLLQJ-HXUWFJFHSA-N 449.559 2.501 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 460802739 LBXPGJXKXAUNRV-QFBILLFUSA-N 427.571 1.583 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 461073508 IREQHDOCMMWCNU-RTWAWAEBSA-N 449.559 1.739 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)c3cc(-c4ccco4)nc4c(C(N)=O)ncn34)C2)cc1 461734899 FJFLPXCFODFBQX-UHFFFAOYSA-N 428.408 1.863 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC(=O)N(Cc4ccccc4)[C@@H]3C)CC2)c1C#N 466840791 JQQOSAKGHCKZAC-YLJYHZDGSA-N 435.532 1.621 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 481487393 BZIFPHSVOLMAFT-MRXNPFEDSA-N 446.573 1.913 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1C#N 489359126 QQDJLOAVOHBXAG-FQEVSTJZSA-N 425.514 1.374 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497580935 QDSWPSDRQHZECC-UHFFFAOYSA-N 435.534 1.647 30 10 IDEE N#CC1(NC(=O)CN(CC(=O)NC2CC2)CC(=O)NC2(C#N)CCCCC2)CCCCC1 507401755 LQLSKTSEAIEGQS-UHFFFAOYSA-N 442.564 1.252 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC=C)CC1 508488871 LITLHSKINOXPJF-UHFFFAOYSA-N 437.548 1.757 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](C)Oc2ccccc2C#N)c1 517305062 ZYTDBOGKEFPQBH-KBPBESRZSA-N 430.486 1.377 30 10 IDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 520226872 WNFACKAYNQDMMT-IBGZPJMESA-N 428.514 1.308 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 541075306 WQTOUFQEILKEBU-GFCCVEGCSA-N 448.526 1.086 30 10 IDEE CN(CCCC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1ccc(F)cc1 545462487 JBWVSEPMKTUSAQ-UHFFFAOYSA-N 445.520 1.842 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccccc3OC(F)(F)F)CC2)c1 585694915 CWUQZVQGKKDSLS-UHFFFAOYSA-N 433.390 1.817 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 590914095 XXEMXLOJWJRRPT-QGZVFWFLSA-N 441.553 1.373 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 590914179 WBEVAQOHSPJYIB-GOSISDBHSA-N 441.553 1.373 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1 590914695 RKYLELAKKKPHES-IBGZPJMESA-N 437.565 1.959 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C 603799296 JGSRZGAYYIADIF-UHFFFAOYSA-N 425.535 1.535 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)CC1 604178036 DYDSMMTUAVYXAI-UHFFFAOYSA-N 436.516 1.463 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 670233831 BYDLHNLBVROQRH-SJORKVTESA-N 437.522 1.358 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732674590 JSTBSNHRXGXCKQ-LJQANCHMSA-N 431.562 1.743 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)CCN1C1CC1 732699567 BJKSPNSDHBRIGZ-QGZVFWFLSA-N 434.338 1.951 30 10 IDEE COC(=O)[C@@H](OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 740197883 AKHWRWOLMHDXOT-FQEVSTJZSA-N 445.449 1.951 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)OCO4)c2=O)c1 763459263 ZPWVHZFHCTYGMC-UHFFFAOYSA-N 433.489 1.838 30 10 IDEE CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 771430232 FAXKDMSCJYWGTJ-MRCUWXFGSA-N 426.521 1.856 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)cc2C1=O 774930171 GYHJQBDWNUYXFT-AWEZNQCLSA-N 438.358 1.748 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2CN2CCC(O)CC2)n1 789060668 AKOJOGBAWLNTBV-UHFFFAOYSA-N 439.560 1.831 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 790220659 LMERCISVWXZGJV-FPOVZHCZSA-N 425.460 1.565 30 10 IDEE C#CCN(C(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1)[C@H]1CCS(=O)(=O)C1 790625323 SVBZKRNVNAQLOI-INIZCTEOSA-N 447.538 1.929 30 10 IDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cn1 793468407 JCWLMGSGUWSXFT-UHFFFAOYSA-N 447.520 1.038 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCNS(=O)(=O)c1ccccc1Cl 799025005 GZXZUARLPWWJGY-ZCXUNETKSA-N 440.909 1.041 30 10 IDEE C#CC[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 809572259 JRNKJDMZZVFOAT-WZONZLPQSA-N 433.549 1.877 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOC1 812418938 ZLNLRPKDNADLFK-BRWVUGGUSA-N 448.524 1.352 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 914679002 OKMSLQCIKMLWPJ-CQSZACIVSA-N 431.470 1.758 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 916777852 CQVTWFUIHQQRRR-HXUWFJFHSA-N 425.510 1.986 30 10 IDEE N#C[C@H](C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)C(=O)Nc1ccc2c(c1)OCCO2 916964783 AMKLXOSXKKLFFK-SPLQCWDRSA-N 444.513 1.831 30 10 IDEE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 918568260 HHCIFEBMOXLHKW-QGZVFWFLSA-N 442.497 1.363 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1cnn(-c2ccccc2)n1 918819318 PPYMNMDYIBPECK-UHFFFAOYSA-N 425.470 1.829 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C#N)cn1CC 1130010750 NKIIEVWUMGZXAV-ZSEKCTLFSA-N 429.477 1.996 30 10 IDEE C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1141324983 AYNIBXVPKZAXJE-KIMSCTMESA-N 428.464 1.910 30 10 IDEE N#Cc1cn(CCNC(=O)c2c(F)c(F)c(Br)c(F)c2F)c(=O)nc1O 1148392665 DIMOWXWFPIXCGL-UHFFFAOYSA-N 435.131 1.569 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1176687855 MMFYXYIXULUEJW-VXGBXAGGSA-N 433.343 1.867 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N(O)Cc2cccc3ccccc23)c1 1184340643 PQKYWUBLFOXDRH-UHFFFAOYSA-N 448.522 1.940 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1286285443 MVYHRLWQAVDMKE-XOBRGWDASA-N 429.550 1.174 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286327633 JVLIEFDJVYASFR-UHFFFAOYSA-N 430.578 1.976 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1286380103 BUQJPRZZOQNVFV-UHFFFAOYSA-N 426.565 1.961 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCOC1 1286401685 PYOXCHARSPTODE-SFHVURJKSA-N 441.557 1.695 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)COCCO1 1286459205 JJAIQSNVKPHHBK-SFHVURJKSA-N 438.326 1.927 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286515212 VGYINTZEOPUTKD-GOSISDBHSA-N 434.610 1.486 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(=O)N(C)C)CCCC2)CC1 1286638309 YMOGXPIMVCYITK-INIZCTEOSA-N 438.598 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286784246 ZNPOJJATKLMBRV-UHFFFAOYSA-N 443.939 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286814964 JBCAARAHYKMEPP-WMZOPIPTSA-N 445.545 1.269 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1 1286863003 ALWFRFMNJODXAL-UHFFFAOYSA-N 435.532 1.934 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)CCS2(=O)=O 1289581860 JHULASQFEFSCCE-GYPPFNJCSA-N 445.541 1.542 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)Cc2cccc(F)c2)n1 1289988010 GIBCXZNFVBRDIV-LJQANCHMSA-N 449.490 1.875 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H](C)N3CCOCC3)CC2)c1C#N 1290576131 APKZUMLPZHQSIA-QGZVFWFLSA-N 441.584 1.362 30 10 IDEE 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C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](OC)C1 1540898002 XSWMLMMOTVLBPF-GOSISDBHSA-N 447.561 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](C(N)=O)C1 1540898807 VOQNJAJBABTONF-QZTJIDSGSA-N 431.562 1.732 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1540902976 VGJUQEJMWYTDPC-GOSISDBHSA-N 449.581 1.281 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1 1540979990 QUJORIOWCIQPHJ-FQEVSTJZSA-N 438.532 1.928 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCCCO)CCOC1 1547895683 DONLEMYDBKHBQC-JOCHJYFZSA-N 442.520 1.628 30 10 IDEE CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1548313393 CDQNQENJYBNXPH-MSOLQXFVSA-N 444.561 1.595 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCC2)C1 1552391334 CMURQQFAPYYZGD-UHFFFAOYSA-N 430.534 1.515 30 10 IDEE CNC(=O)c1cccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c1 1554412365 CEVVFWPOCKZEIM-HXUWFJFHSA-N 448.531 1.471 30 10 IDEE CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccccc2C#N)CC1 1554478570 AVNYJTDBDYURPP-KRWDZBQOSA-N 441.536 1.336 30 10 IDEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(I)n1 1556132016 BUBFALROAOCFOJ-KOLCDFICSA-N 445.261 1.514 30 10 IDEE Cc1oc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cc1S(C)(=O)=O 1558973191 HBELGDANXTYWJH-UHFFFAOYSA-N 428.264 1.788 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1 1562354601 BCYWCIDRMQFXNV-INIZCTEOSA-N 440.497 1.001 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCS(=O)(=O)CC1 1583979771 FUIZITOXHKUKEL-MRXNPFEDSA-N 449.529 1.470 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1588054194 LIUCTXDFJBMQIH-ZWKOTPCHSA-N 436.578 1.963 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588068919 CEIOHFNSRPNAFO-GOSISDBHSA-N 430.578 1.957 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OCC)c1 1588138260 BHINOJKNGKYWNO-IBGZPJMESA-N 426.542 1.894 30 10 IDEE O=C([C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@@H]12)N1CCOCC1 1614389080 SOZXAFBBXYMNSJ-LEOABGAYSA-N 445.463 1.367 30 10 IDEE COc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1619302037 GUHFAOJBKAHSBF-YJBOKZPZSA-N 428.493 1.621 30 10 IDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1621715481 RUHLOEBWUJNFDP-XHSDSOJGSA-N 440.541 1.822 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 1622917034 AHMYUACRLFBKRI-UHFFFAOYSA-N 425.482 1.229 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)C2(C#N)CCSCC2)C1 1625808145 SYENKSJDJCOVPD-AWEZNQCLSA-N 431.580 1.564 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 1628751777 DEOUZJPAWQBXOU-ZRCAFCQKSA-N 431.489 1.552 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCN2C1=O 1629543293 OGJFUDBIWTYTFV-XJKSGUPXSA-N 429.864 1.059 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1632219491 XMUMUJCFRSHZOW-FQEVSTJZSA-N 429.498 1.385 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 1633365037 YUYVKRUYZGXXQW-IAGOWNOFSA-N 439.509 1.675 30 10 IDEE CC1(C(=O)N2CCN3CCOC[C@@]3(CO)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1639282265 FFGQFAMUXDMHPW-QFIPXVFZSA-N 432.952 1.724 30 10 IDEE CCC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)c2ccccc2)CC1 1639822260 YEOQBNNCFCZABW-PGRDOPGGSA-N 429.542 1.716 30 10 IDEE COC1(OC)CC2(CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C(C)C)C1 1640314378 HTFSNJWNDPANDI-GOSISDBHSA-N 435.546 1.751 30 10 IDEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1640408825 JEOGIVBABGZINI-VPTFNQTCSA-N 431.562 1.724 30 10 IDEE N#Cc1ccc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1F 1642207307 LNZTWCWBLQCWBY-UHFFFAOYSA-N 445.520 1.435 30 10 IDEE O=C1NCC[C@@H]2CCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]12 1644399679 OGGQDDATHFIBBD-KXBFYZLASA-N 432.546 1.413 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1648004938 HIRZGOQSDMYYBQ-UHFFFAOYSA-N 447.557 1.166 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)cc1 1658321236 TWIUYEKHKDLNGT-KBXCAEBGSA-N 427.548 1.392 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1 1664970902 BXLBITCALOKAKZ-FQEVSTJZSA-N 429.542 1.648 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1679898941 QEHQKLITXXBCJF-GOSISDBHSA-N 431.489 1.796 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1685365257 DXFCVXDVLFRGGX-UHFFFAOYSA-N 439.394 1.741 30 10 IDEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689922228 GSKKPCNHMNKWAS-UHFFFAOYSA-N 439.911 1.347 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689982846 VSEYLXZDONCZEQ-QGZVFWFLSA-N 449.964 1.704 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1690235832 FFWVCKBZVPGAQP-UYAOXDASSA-N 444.580 1.944 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690239580 YNINJXLTHSMTSU-MDMHHNQBSA-N 447.580 1.946 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1690665376 BEQXEGGYSVRMLD-UHFFFAOYSA-N 436.520 1.316 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)n(C)c2=O)C1 1690684765 NIHCQYSGHJBZGB-GOSISDBHSA-N 426.521 1.351 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cn(C2COC2)nn1 1694316374 MJOKHEMQQZDJCB-UHFFFAOYSA-N 427.513 1.148 30 10 IDEE CCCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1695203768 HPVUTBCHHYXFJM-INIZCTEOSA-N 431.566 1.730 30 10 IDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1695393641 MLAVXZCZVQIYPQ-QFIPXVFZSA-N 437.504 1.953 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1697023612 SLIWKJKOAUVXRZ-KRWDZBQOSA-N 440.533 1.093 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1O 1698440511 CZJMYHIHSUKALI-QAPCUYQASA-N 429.546 1.991 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1705589453 QJFXTWHDRCSLAN-UHFFFAOYSA-N 448.527 1.469 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705661768 IRXPXLMUVXVXQN-OAHLLOKOSA-N 427.596 1.009 30 10 IDEE C=C(C)COCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1705740852 YLIOKCOAJPJKLT-QHCPKHFHSA-N 447.580 1.972 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1705754634 CEZSNVPNHDPCJV-HNNXBMFYSA-N 428.946 1.494 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705905715 DSINXHMEJZNACL-HSZRJFAPSA-N 436.491 1.803 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705909015 JSYWHOTULQISCQ-HOSILWTGSA-N 447.458 1.460 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC)CC1 1705936971 DGMOMEBOQFCTDI-UHFFFAOYSA-N 439.563 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOCC2(CC2)C1 1705938118 NHUICMMAQULZOF-UHFFFAOYSA-N 434.566 1.357 30 10 IDEE CC(C)C(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706232639 JDIVHWUYAYNYFW-MRXNPFEDSA-N 437.552 1.695 30 10 IDEE Cc1ccoc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1707027945 CNEOQIAJPGYQRG-SFHVURJKSA-N 448.549 1.691 30 10 IDEE CCOc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)N2CCOCC2)cc1OC 1710507832 FCFJZECEFKCDRI-INIZCTEOSA-N 442.520 1.950 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1711016071 YTGBBKBVGAGNSW-QUCCMNQESA-N 437.548 1.357 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCOC1 1711045630 IFCIDBFAOQRTLN-PKOBYXMFSA-N 445.545 1.921 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1711340193 PEZCAZYQYOIPDW-ZWKOTPCHSA-N 435.532 1.694 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccsc2)nnc1N1CCC(CO)CC1 1712913017 QZDFCOFSEKXTGC-VXPUYCOJSA-N 442.545 1.666 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1722360088 YYCTYJOYDRBUBN-CVEARBPZSA-N 442.607 1.027 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1722377215 SSRMRWBNGJPPTO-XDOYNYLZSA-N 430.468 1.553 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1722386984 DJFYRXFPKGQOHH-UHFFFAOYSA-N 428.500 1.810 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1722389358 IHQHBQGZSXPFKX-UHFFFAOYSA-N 441.557 1.573 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1722400756 YKSFXZNLIABJGC-YADHBBJMSA-N 426.609 1.909 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H](C)C2)CC1 1722432424 XNRDIWHDLVKALU-IBGZPJMESA-N 436.564 1.413 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCSC2)CC1 1722440461 JKKRLYNZXDJOCS-QFIPXVFZSA-N 427.574 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722445017 RTXNDVZTMQXPDX-HXUWFJFHSA-N 430.597 1.724 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ncc(CC)s2)CC1 1722446469 XGGINQSNHMWNAJ-UHFFFAOYSA-N 438.561 1.712 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)CC)CC1 1722523118 BHRAISKNYHQAQD-SFHVURJKSA-N 440.614 1.498 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCOCC1 1722676795 LJIPWIHHXJPLCY-UHFFFAOYSA-N 437.504 1.845 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722683436 OQKNCQLNRZUBTG-LJQANCHMSA-N 436.559 1.550 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722692106 XCEKSXSMVRBGSZ-CYBMUJFWSA-N 430.475 1.989 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1F 1722862951 FZVISWHKYIIDKC-OLZOCXBDSA-N 425.490 1.097 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1723941080 FACWDFXKCKGAKO-FTRWYGJKSA-N 449.581 1.914 30 10 IDEE COC(=O)N1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1729786964 IXVACFHLCXEXQK-KRWDZBQOSA-N 445.549 1.841 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2C)CC1 1740690765 NFVJECUJFMDALT-GOSISDBHSA-N 430.578 1.309 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2COCCO2)CC1 1740700410 RVGPICYKQAVTQG-SFHVURJKSA-N 443.573 1.750 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)F 1740725591 NWTYGIFYLCCDKM-UXHICEINSA-N 425.480 1.692 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1740798859 CKGFCVIUHCQAQH-FGTMMUONSA-N 435.569 1.741 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740957403 MMISSJHTGOIZOA-OAQYLSRUSA-N 447.543 1.498 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1740961842 KERYMAZKBLOUIQ-UHFFFAOYSA-N 436.520 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740988809 QCGJYUJHCDZPHQ-AEFFLSMTSA-N 445.545 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1740994077 INKJGVGCQWXGOG-UHFFFAOYSA-N 437.610 1.964 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741193552 UKTGFGKVHREKRL-RMYFCYLKSA-N 429.525 1.095 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1O 1748332541 AEYVHCRHCVGKNB-LZJOCLMNSA-N 443.529 1.045 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1748818455 ZVZCYAJXPIXTQH-HZPDHXFCSA-N 446.520 1.471 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1748841920 BRHXLDKFXDIIRW-QZTJIDSGSA-N 430.512 1.816 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1748851251 APGIXSHXCZDRSO-IBGZPJMESA-N 430.512 1.526 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1748859589 VHYRSEKNTRUOKA-MSOLQXFVSA-N 447.536 1.321 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1748915056 NXBKRMPJURCONN-UHFFFAOYSA-N 444.330 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCN(C(C)=O)CC2)CC1 1748978641 QIYACXIYOKNBLP-SFHVURJKSA-N 432.569 1.016 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnnn1CC1CC1 1749471794 SPDJNWGDZUGEHX-UHFFFAOYSA-N 428.522 1.416 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749658161 HCTKZWCGANUWET-HSZRJFAPSA-N 446.515 1.604 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1O 1750335910 JZBWOLXQOXFUQH-LZQZEXGQSA-N 429.546 1.991 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCOC1 1760101767 VJPAKOTZTBMCSP-VBKZILBWSA-N 432.550 1.156 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1760120705 OPZGNDKRXURSPB-KRWDZBQOSA-N 426.546 1.775 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1760199077 NWEFPQFGVQNLMA-MRXNPFEDSA-N 428.514 1.470 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760219361 CEADVZKHLNIVSW-DXIQSLLYSA-N 446.573 1.371 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc2c(c1)C(=O)NCC2 1760249942 CCGYZDOMUSJKKO-UHFFFAOYSA-N 430.512 1.684 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCOCCCO)CC1 1760254865 NLTQDNXPXNLEJU-UHFFFAOYSA-N 434.544 1.956 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2OCC)CC1 1760260776 DOAWCSORPRKAPY-UHFFFAOYSA-N 436.560 1.797 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1760313830 RAYBBWVPOKGRIO-AOIWGVFYSA-N 432.569 1.893 30 10 IDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1760361213 HMEOWTFWWVOBDD-SFHVURJKSA-N 433.484 1.540 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760515194 QUXUIYMGJSCBPH-IBGZPJMESA-N 449.515 1.266 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760525950 YCFRIDVQLSBYIU-XOBRGWDASA-N 432.550 1.320 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN2CCN(C(C)=O)CC2)C1 1760545612 XQJDVKBRRVYFBJ-HXUWFJFHSA-N 425.537 1.286 30 10 IDEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760563221 KRQZRQFNYYEPAH-CQSZACIVSA-N 446.964 1.665 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1761366265 WLPMYBSPMPAIBB-CMBDLQSPSA-N 434.541 1.939 30 10 IDEE CCOCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1766520177 VVABVEUYMRURTN-MRXNPFEDSA-N 437.504 1.737 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1766611244 ZKNSKDHWRZCSOE-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1767250290 FZNBEQVZBRMAPF-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE CO[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1768225988 BLFYNOLMAUTAQP-NQIIRXRSSA-N 445.545 1.494 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1769124859 FOJFMFUWHFIXLM-RBUKOAKNSA-N 447.561 1.739 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1769586297 GLJNKJLAZDJYGU-QGZVFWFLSA-N 434.504 1.880 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1770352324 ZGBFZSDBVRNRDO-UHFFFAOYSA-N 446.558 1.961 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1772566637 OYATZUUQXYVFGO-CHWSQXEVSA-N 430.431 1.079 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CNC(=O)c2ccc(Cl)cc2)CC1 1852130031 UKQWEKVUPIYFDY-UHFFFAOYSA-N 427.892 1.702 30 10 IDEE C[C@@H]1COc2c(C(=O)O[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)cnn2C1 1852505990 UOVCNWCQULSMKN-QFBILLFUSA-N 426.473 1.720 30 10 IDEE CN(C)S(=O)(=O)CCCNC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 1853217462 KYLCKHJZKNPQCD-UHFFFAOYSA-N 429.546 1.721 30 10 IDEE Cc1noc(C)c1CN1CC[C@H](N(Cc2cnn(C)c2C)C(=O)c2cnc(C#N)nc2)C1 1853420162 AXFRXGBBRAZBPO-IBGZPJMESA-N 434.504 1.912 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)[C@H]4CCCS4)C3=O)CC2)CC1 1854370286 FKIBCYAZSZHTSZ-RBUKOAKNSA-N 432.590 1.874 30 10 IDEE CS(=O)(=O)[C@H]1CCN(C[C@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1856476278 LCSYCAGLDPCKQE-CVEARBPZSA-N 437.949 1.904 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nc1C 1859477037 ZYNAGXQWEDOWDJ-UHFFFAOYSA-N 430.398 1.937 30 10 IDEE C[C@@H](O)CNC(=O)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932289 ZINLIYHKSDKWCU-PBHICJAKSA-N 433.555 1.524 30 10 IDEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN(CC)CCO 1870643471 RCXVHOAVHXEBRF-UHFFFAOYSA-N 443.544 1.595 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccc1O 1874436224 RGBGWSSGNLGYIS-WYMPLXKRSA-N 438.513 1.911 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 1889552863 VGBYBSUASSCFGO-UHFFFAOYSA-N 425.982 1.761 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(COc4nccnc4C#N)CC3)ccc21 1891942332 LPUCZVGONJYIEP-UHFFFAOYSA-N 441.513 1.737 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC 2054376196 DNIXCJGLDIWKHF-GFCCVEGCSA-N 441.344 1.709 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC(CO)C1 2141667055 DVTVABUSFRPPLF-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255609605 ITZZFJXVBGCWQX-CYBMUJFWSA-N 436.318 1.390 30 10 IDEE Cn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2255611937 YKRSBWGFXDONJA-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255649696 LLWGLEUGIUCCAD-UKRRQHHQSA-N 436.314 1.536 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255692399 BRLQMQDEMUFVGF-UHFFFAOYSA-N 432.330 1.977 30 10 IDEE CCON(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2267550253 XBMXDWUPJCZRPQ-UHFFFAOYSA-N 448.329 1.789 30 10 IDEE NC(=O)CC[C@@H](NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)O 2297510323 HIXCLYZMFJEMTD-CQSZACIVSA-N 430.438 1.578 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2312642325 MNYUNINJPOWOJV-OAGGEKHMSA-N 435.330 1.134 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cccc([N+](=O)[O-])c1)n2C[C@H](O)c1ccccc1 2327754037 XTCWTEIHHIPWMK-INIZCTEOSA-N 449.427 1.923 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(F)cc1 2330749763 BOSBEADVADZHEF-UHFFFAOYSA-N 430.465 1.937 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]2CCN1C2 2368802606 FPXRUEDQEBMPPB-IRXDYDNUSA-N 430.530 1.455 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 15544531 HCVNXFPXOCMHPV-UHFFFAOYSA-N 442.585 1.950 30 10 IDEE COC(=O)/C=C1\SC(C(=NNc2ccccc2OC)C(=O)N2CCOCC2)=NC1=O 254572808 JISXUCNBMKUEFU-ODBWFVDQSA-N 432.458 1.051 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 433357628 YDMORSOBHOUBLL-VHSXEESVSA-N 432.296 1.055 30 10 IDEE CN(CCNC(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1cccs1 435192605 RHBUSEVYRXTAHX-UHFFFAOYSA-N 434.547 1.167 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 442909356 VBGUOKGRSFKGAI-UHFFFAOYSA-N 430.881 1.298 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@@H]1CCCO1 447268347 VATPLXNJAABUAK-LBPRGKRZSA-N 435.958 1.585 30 10 IDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCCOc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 476083316 HSQUIOCWXOQVLG-HZPDHXFCSA-N 426.477 1.591 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(c4ccccc4)CC3)C2=O)cc1 479721468 RACNBUXDACYUOJ-JOCHJYFZSA-N 445.523 1.955 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 483232262 GUCQRFBWDKOUKH-OTWHNJEPSA-N 428.489 1.806 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OCC)CC1 492356094 YKWHSLHUSHIQEQ-IBGZPJMESA-N 428.533 1.136 30 10 IDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 497355046 QECCTORBXLKTPX-UHFFFAOYSA-N 443.444 1.674 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 508910706 FCCJZFYOIPMQLJ-HNNXBMFYSA-N 438.579 1.638 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 508921486 LKQKLJCPQARCBN-RTBURBONSA-N 447.561 1.245 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2CCC)CC1 518830692 CKMXSKXILRAQMU-UHFFFAOYSA-N 430.940 1.933 30 10 IDEE COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 519985595 GPFPGFVUQLNWPI-UHFFFAOYSA-N 440.431 1.536 30 10 IDEE CCS(=O)(=O)N1CCC[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1 523356909 LHIGZWNHEOFBBF-RDJZCZTQSA-N 436.559 1.460 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)nc1 531884661 QVKPRUYPUIRONF-UHFFFAOYSA-N 440.569 1.064 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 539942912 ZPAWQQDUXIBRGD-UHFFFAOYSA-N 425.466 1.885 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC[C@@H](C(=O)O)C3)CC2)cc1Cl 548221083 OLJQKFGQDGWPSR-CQSZACIVSA-N 440.909 1.435 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 549670175 WYQMSMRPBFUMGS-ZWKOTPCHSA-N 449.581 1.534 30 10 IDEE CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 552174408 HCTCJDXNSFFKRM-UHFFFAOYSA-N 448.527 1.176 30 10 IDEE C=CCOc1ccccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 583571514 CGUXDRWMINMIEF-SFHVURJKSA-N 437.544 1.828 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 604308824 SIJQVKVEIRZWPR-SIKLNZKXSA-N 428.533 1.051 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)OCc2cc(Cl)ccc2OCC#N)cn1C 735348549 DFBKNIKZOSKQMF-UHFFFAOYSA-N 426.882 1.696 30 10 IDEE C[C@@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccc1C#N 746745079 JQDLBWADBHXEOQ-SZNDQCEHSA-N 446.463 1.904 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OC3CCN(c4ccncn4)CC3)C2=O)cc1 752578968 RPHLTZNIFQLFEH-GOSISDBHSA-N 434.456 1.765 30 10 IDEE O=C(O)CN1CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757486242 PLULEVANLSNLFA-UHFFFAOYSA-N 447.491 1.757 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccccc2OCC2CC2)c1=O 758056835 BIJKFFSEQMVSPF-UHFFFAOYSA-N 435.549 1.751 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 764740434 MLEXLXQEYFXDTH-UHFFFAOYSA-N 440.508 1.813 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CCN1C1CC1 768720064 GFCZJRNCCZNENI-ZDUSSCGKSA-N 433.394 1.423 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 769217219 WEMWJLYLRRSVBZ-UHFFFAOYSA-N 431.514 1.465 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)c1cc[nH]n1 772528283 ZMHBCKIFLKMPQU-UHFFFAOYSA-N 438.488 1.368 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc3c(C)cccn3c2=O)c1 774108077 LAJVQXALICGDMH-UHFFFAOYSA-N 430.464 1.490 30 10 IDEE CC(C)CN(C(=O)CON=C(N)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 782947945 GQPPFKIHNKBIJQ-OAHLLOKOSA-N 446.367 1.758 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 789323826 BAXNXDHAUDOORS-UHFFFAOYSA-N 427.549 1.759 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 800779932 FDBSQLQFMAYPSO-MELADBBJSA-N 428.559 1.424 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCS(=O)(=O)C(C)(C)C1 800783559 YPBCAFJROWWZFX-UHFFFAOYSA-N 433.534 1.904 30 10 IDEE CCOC(=O)C1(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOCC1 803831166 GSWIBSXQQOUFOX-UHFFFAOYSA-N 426.429 1.586 30 10 IDEE C#C[C@@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)c1ccc(Cl)cc1 810472073 CBSIKYACGYUKAI-QGZVFWFLSA-N 431.901 1.628 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)C)CC1 812177568 JFNXNPCETUGNMW-SFHVURJKSA-N 430.553 1.918 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 839378414 IGGYFXSDTDNDNW-UHFFFAOYSA-N 434.525 1.101 30 10 IDEE COc1ccc(C=NNc2nc(SCC(=O)NC3CC3)n[nH]2)cc1OCn1cccn1 1084304927 VTRGQEVIUNBWBD-UHFFFAOYSA-N 442.505 1.863 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)s1 1136221163 YDMUGSQBSMDFJC-IBGZPJMESA-N 448.526 1.448 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1138972849 TUBGLXIFQMHQQI-UHFFFAOYSA-N 431.836 1.741 30 10 IDEE C#C[C@@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1158491885 LDWFLXJVRVJXQJ-FQEVSTJZSA-N 439.965 1.871 30 10 IDEE C#CCC1(O)CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 1175669533 PYWUUXFNTOKMER-UHFFFAOYSA-N 433.553 1.026 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)sc(C)c2Br)CC1 1212213545 CZLKHBCAYAJHKF-UHFFFAOYSA-N 434.381 1.183 30 10 IDEE C#CC[C@H](CCOC)NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1253778974 HESFQKVWJWDWSA-HZPDHXFCSA-N 431.555 1.138 30 10 IDEE C=CCOc1ccccc1CN(C(=O)Cn1cnc(C(N)=O)n1)c1ccc2c(c1)OCCO2 1264221440 UNMZLMUIFQTMLR-UHFFFAOYSA-N 449.467 1.946 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1286376002 BZZIXVUECSXSGR-SFHVURJKSA-N 429.546 1.135 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1N1CCOCC1 1286379039 CPOSXMWJJGBFGC-UHFFFAOYSA-N 426.496 1.494 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286399057 XQYIMKCKMGCBTM-QFIPXVFZSA-N 446.555 1.202 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1286431807 RXOQNKKDZYUUPY-OAQYLSRUSA-N 434.544 1.915 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCOC2)CC1 1286489019 BWVVCBKWQNECOX-QFIPXVFZSA-N 443.935 1.716 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286567335 UWKXJTWLDMXNLJ-UYAOXDASSA-N 446.577 1.327 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1286601893 PQJAYXXYSWKMTP-UHFFFAOYSA-N 440.552 1.532 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1286762318 DTIKPTTWUMHPLL-UXHICEINSA-N 446.573 1.831 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 1292822041 DPZWKMIAWINYKG-HNNXBMFYSA-N 445.497 1.677 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 1294552276 CQIYLICTJAEHIU-QGZVKYPTSA-N 441.528 1.560 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C 1296144567 AQUOEPMHJJSUEW-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE CN(Cc1ccccn1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298375574 JYLDEQKBCMXCKL-QURGRASLSA-N 444.499 1.822 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 1300392630 DNEOWVFAWATBAA-PZJWPPBQSA-N 443.525 1.821 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300505649 DQSSERGKVAEVSC-RHQZKXFESA-N 436.578 1.960 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1300509658 RIAKVHAVIQPZTA-QGZVFWFLSA-N 438.557 1.994 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1300547885 SLTIGBYXJGEBQF-MSOLQXFVSA-N 429.521 1.838 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCOC1 1300663493 DGRYCUKUBROJFM-QGZVFWFLSA-N 436.516 1.705 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc2c1OCCCO2 1300674738 DTUSMJGGYRIPCY-UHFFFAOYSA-N 439.516 1.696 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1300682724 PTRKSZSTSJVOKR-IBGZPJMESA-N 437.592 1.999 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300777816 DIYDXNHAYOOGHX-HUUCEWRRSA-N 430.538 1.028 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CCOC 1300790463 RHVZVADRVHOEFH-FGZHOGPDSA-N 436.520 1.700 30 10 IDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1300828239 FSQIHRMZQPZROA-SCLBCKFNSA-N 431.470 1.507 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1300889012 OQBWADBXGNBZNR-QFUCXCTJSA-N 443.523 1.940 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1301251288 BCKCLHQPZRFOAZ-IBGZPJMESA-N 426.521 1.854 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccccc1 1301296890 KXIZTWANXJTXEV-LJQANCHMSA-N 448.593 1.365 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301491468 JUSCBYMMRRGLQK-FQEVSTJZSA-N 447.543 1.862 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1301968637 NWVJMENCFNCGTM-CVEARBPZSA-N 429.525 1.633 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1302502236 FXVZMTYUGKINSQ-JPYJTQIMSA-N 438.532 1.947 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cs1 1304665881 IHHNTSSVUPKASQ-GOSISDBHSA-N 438.554 1.901 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)N(C)C 1305000762 KOWGGTLOFUAPMO-ZIAGYGMSSA-N 440.932 1.421 30 10 IDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1309650603 NHIUXPQNHLKAIJ-IXDOHACOSA-N 428.576 1.406 30 10 IDEE COc1ccc(S(=O)(=O)NCC2(C#N)CCOCC2)cc1NC(=O)c1ccccn1 1309945324 FEUBDLNZJBYDNA-UHFFFAOYSA-N 430.486 1.941 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1314540412 GSAWPTNOSVESNT-OAHLLOKOSA-N 436.513 1.485 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1315056689 OTVLJOCILODXNC-UHFFFAOYSA-N 429.550 1.394 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1342213617 VXMUTMXURIPAQP-OAHLLOKOSA-N 440.518 1.142 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccc(-n3cncn3)n2)c1 1354741564 SQXHCONLYIOBEE-MOHJPFBDSA-N 425.474 1.727 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1358960909 OAKLDPUZCAPCBH-VQIMIIECSA-N 434.591 1.591 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(CCOC)c2)CC1 1359038513 YUZMBGRJNJMXRA-UHFFFAOYSA-N 449.559 1.812 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)CC1 1359039088 WRWZZYFUIMVJOT-UHFFFAOYSA-N 439.560 1.771 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2([S@@](C)=O)CC2)CC1 1359044056 SXKJDRKOIBSTHJ-SSEXGKCCSA-N 426.546 1.217 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359130778 VVIMBZDQKHZPDK-UHFFFAOYSA-N 441.580 1.621 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(CO)c1 1360214933 DQODHQAOHNDDJG-UHFFFAOYSA-N 447.499 1.492 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(NS(C)(=O)=O)CC3)C2)C1 1441011768 ONFPKPYBNRCGBS-CHWWFWEZSA-N 440.566 1.313 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1=O 1459181854 DBRCLZTZXYKEIT-UHFFFAOYSA-N 440.843 1.958 30 10 IDEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)C1CCOCC1 1470864980 LXAQRTKDVCYWKA-IRXDYDNUSA-N 435.521 1.466 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 1471450546 FAMQLUAFAJXUJP-UHFFFAOYSA-N 438.509 1.363 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)n1 1476627851 CGJUJAYZHGYLOG-UHFFFAOYSA-N 435.506 1.577 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1507517447 HPQMIXCYLMBEDL-KSFYIVLOSA-N 429.496 1.957 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC1 1507521446 MXFZEENMKIDBBJ-QGZVFWFLSA-N 430.578 1.749 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1507639054 VJAPSABSOUWGBC-NRFANRHFSA-N 434.544 1.104 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1cc[nH]n1 1507668968 PKIRMNYZKDGNSI-UHFFFAOYSA-N 431.456 1.290 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507724943 MVFYXJNBKKFZSK-UHFFFAOYSA-N 425.537 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508073758 LKFXLOKLFPHKKT-HNNXBMFYSA-N 426.587 1.344 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1509957093 XUCPXNWQZZCVLJ-SNVBAGLBSA-N 427.387 1.423 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)cc1C 1511010901 VVSFOMWHQJHUDD-FQEVSTJZSA-N 428.537 1.781 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517471469 YPCUKAGBCHEQAY-APFMSCDFSA-N 443.552 1.356 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccc(OCC#N)cc2)cc1 1518565745 CPWRADSOQBMJKZ-UHFFFAOYSA-N 430.482 1.536 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1=O 1519192768 JLIPKWBVNIHIAM-JENIJYKNSA-N 438.532 1.925 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539109198 KQIPARFERJNKHT-INIZCTEOSA-N 431.518 1.605 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539139231 HHETZNRLXLHZKC-UHFFFAOYSA-N 430.553 1.168 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCC)CC1 1539477487 OIVDCCGPCHYVSN-UHFFFAOYSA-N 428.493 1.008 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539517478 ONVBETJEEILBKL-QAPCUYQASA-N 448.570 1.780 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC[C@](C)(C#N)C3)CC2=O)cc1 1539935747 SGXSNFLNKBZXPI-IIBYNOLFSA-N 432.546 1.832 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C1CC1 1540053435 GCNALWPESLCJKL-UHFFFAOYSA-N 432.550 1.344 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540873237 RSCKKZOXHZYVNB-HSZRJFAPSA-N 435.532 1.615 30 10 IDEE CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1541092706 UVNHVCBCJZCVSH-INIZCTEOSA-N 425.541 1.574 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1542027099 JFKFOGGCKOJURP-UHFFFAOYSA-N 447.499 1.865 30 10 IDEE COCCOC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1555681152 PTNBIIVJQMRSOJ-QGZVFWFLSA-N 434.541 1.465 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1557239752 GAINPZPYVLMHRI-HXUWFJFHSA-N 442.541 1.834 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1564547068 GHGHLKJMEFQEGD-QGZVFWFLSA-N 447.561 1.603 30 10 IDEE Cn1cc(Br)cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1=O 1587532677 YXQFGEGHTKGWJP-UHFFFAOYSA-N 428.239 1.836 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1587581135 WKJNHGQPIYIBGL-LSDHHAIUSA-N 448.545 1.864 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588034426 FTZWQMCUOOEZQA-DLBZAZTESA-N 439.582 1.763 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N(C)C)CC1 1588908749 VZJRAKNYNBZHRE-UHFFFAOYSA-N 446.914 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)N2CCOCC2)CC1 1588930479 XFFKVWQJNYCTJL-UHFFFAOYSA-N 444.580 1.081 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1589069348 KDJSPXZMKIABJR-KBPBESRZSA-N 431.484 1.653 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCOCC1 1595467446 URQVZIDCPSECBG-UHFFFAOYSA-N 432.912 1.390 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)OC)CC2)cc1 1595608526 SRIOAPSNHLZVQL-UHFFFAOYSA-N 442.520 1.918 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1595640432 XKEPKGQPNDBSOE-LJQANCHMSA-N 447.561 1.824 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1 1595648496 DHMARXJYEUSEMH-HNNXBMFYSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)C)CC1 1595821230 AYKKYWSOWCHDIV-UHFFFAOYSA-N 435.598 1.271 30 10 IDEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1597164453 QADBUAFYAOWEMG-UXLLHSPISA-N 426.473 2.000 30 10 IDEE COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1602800267 XVFVCUSWCMZWML-FOVZNYCQSA-N 426.473 1.789 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC1CCOCC1 1608579513 OJDYIZXWGOWTMC-SFHVURJKSA-N 445.568 1.179 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)c1 1615747304 HLWXZQMUWLMWIP-UHFFFAOYSA-N 444.488 1.180 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 1616347335 PISPOPSXYHEULW-HTXNQAPBSA-N 446.510 1.805 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1)C1CCOCC1 1624610373 UFHUNKNWTRDBOO-KXBFYZLASA-N 431.489 1.544 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(S(N)(=O)=O)CC2)C1 1626941497 BIDZHCKLWGWUBS-UHFFFAOYSA-N 427.324 1.036 30 10 IDEE N#Cc1cccc(C2(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCOCC2)c1 1629646297 DBOKGHFVXWANOW-UHFFFAOYSA-N 425.466 1.525 30 10 IDEE CC(C)(C)OC(=O)C1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCOCC1 1630856821 QEWCKNBJSIYFCM-UHFFFAOYSA-N 440.493 1.991 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1)c1cc[nH]n1 1632548188 PTYBKFOFDTUNSR-UHFFFAOYSA-N 429.477 1.444 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)CC1 1635737750 XZKPUROEYASCPP-UHFFFAOYSA-N 448.451 1.964 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ccnc(F)c2)CC1 1635795892 ZHBUMDYJCONUBJ-UHFFFAOYSA-N 431.493 1.388 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1641371904 QOWYMVYLXLUOHO-UHFFFAOYSA-N 445.472 1.812 30 10 IDEE C#CCN(C(=O)CCc1nc(-c2nc[nH]n2)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1644790480 YKHCCZIQYQWNGB-UHFFFAOYSA-N 429.481 1.649 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1675724861 IIEJVVJDEYFTOT-BRWVUGGUSA-N 427.567 1.902 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c(C#N)cn1CCOC 1676108621 GFNFXBGNTRXMTF-SFHVURJKSA-N 446.552 1.427 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1684732647 XIAKEDCHPLUVKH-KRWDZBQOSA-N 429.502 1.267 30 10 IDEE C#CCCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1689941341 NAXZJDMVQZSERS-HNAYVOBHSA-N 443.470 1.848 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1689977675 ALJRMXICGHDFOJ-HZPDHXFCSA-N 439.607 1.186 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689985785 BHKKAAAKESFDKK-QGZVFWFLSA-N 446.577 1.011 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1689986662 UTTNLNFXHDHGPI-KRWDZBQOSA-N 442.570 1.974 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1690015517 OZJDOGIYINPHMV-UZLBHIALSA-N 431.418 1.752 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1690113778 USNKFFVCXFQJRO-DPLHUUCSSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690120239 MTWXDDPXIJBDGP-WJOKGBTCSA-N 436.585 1.966 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](COC)C1 1690254980 MNYXHOACURYIHO-HVTWWXFQSA-N 436.553 1.835 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690430261 HBIFRJWBNWFANI-SFHVURJKSA-N 444.580 1.907 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C 1690580778 FVNXZIGFHNRJSP-FQEVSTJZSA-N 426.569 1.872 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CC(N)=O)CC1 1690675008 NJXSLVXTNOEXGX-UHFFFAOYSA-N 426.521 1.560 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)C1 1690699538 GKHAGFFPIXDDNO-MOPGFXCFSA-N 432.546 1.502 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1690782937 HNSLHXLOOKHPEI-JPYJTQIMSA-N 435.532 1.600 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1690785919 AVDCBMGBOAMEPU-LJQANCHMSA-N 438.532 1.663 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3CCCCCO)CC2)c1C#N 1693406106 HXRXMUUALDVGBZ-KRWDZBQOSA-N 428.541 1.185 30 10 IDEE CCOC1CC(O)(Cn2c(N3CCC(CC#N)CC3)nnc2[C@]2(OCC)CCOC2)C1 1696198140 AFWZOHMQCHOSJN-UDJZJCJKSA-N 433.553 1.990 30 10 IDEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1696434779 UPIMJKVJHSFPTG-RBUKOAKNSA-N 445.545 1.666 30 10 IDEE CSCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698388829 GMTLATVEHQQEGC-ROUUACIJSA-N 447.586 1.820 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705510821 ZFABPNVWJTXLMB-IHRRRGAJSA-N 437.488 1.848 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC[C@H]1OC 1705551117 GZJRTSNDLMJYKS-FGTMMUONSA-N 449.552 1.707 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705564323 BRJYSQYNNKSQJV-OALUTQOASA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1705569193 DLSGFWSOICJDMG-IBGZPJMESA-N 439.545 1.155 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1705583372 WVDKUBYOMIFXCQ-GOSISDBHSA-N 439.520 1.441 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(C)(C)C)cs2)CC1 1705638501 MSYXCHUWYLVKFO-OAHLLOKOSA-N 427.578 1.787 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nc(C)cs2)CC1 1705639048 DWJPIQAZTKJYQM-RDJZCZTQSA-N 448.618 1.504 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705654815 UJCKRAHYIDPMCM-UHFFFAOYSA-N 444.561 1.787 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C(=O)NC 1705700744 XUCLGKWGIUBHJS-KHYOSLBOSA-N 444.536 1.805 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1705754591 BTEOBGZRJGSSLS-UONOGXRCSA-N 436.003 1.695 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1)C1CC1 1705854460 KRAMBNRNTHLHAF-JKSUJKDBSA-N 427.596 1.661 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CC1COC(C)(C)OC1 1705906073 RBHDUBAPAJSUFX-UHFFFAOYSA-N 434.566 1.771 30 10 IDEE CC(C)SCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1706714838 BAXZLKIBUIEVBH-YOEHRIQHSA-N 446.574 1.195 30 10 IDEE COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1712059644 FASDLSFXGVQHAG-NRFANRHFSA-N 435.548 1.748 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712283781 HGFDYICBLNCNLB-AEFFLSMTSA-N 431.518 1.103 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(COC)CCOCC1 1712647723 IFKOFRMEXNMAAO-BZSNNMDCSA-N 435.525 1.174 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2ccn(C)n2)c1 1722309881 QPUPKWWCVHUXPG-UHFFFAOYSA-N 443.515 1.711 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCO2 1722421597 MRITVQUNWBVTMQ-JOCHJYFZSA-N 428.489 1.793 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCS2)CC1 1722446077 LZNBRNUDOOBAIJ-QGZVFWFLSA-N 425.562 1.987 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccs2)CC1 1722566693 XAPCKLLUHUJCPL-HNNXBMFYSA-N 438.579 1.467 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1722635357 XCTVZIDECNYEQE-OAQYLSRUSA-N 449.577 1.897 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1722692246 XWJALHGJWWIZFC-FUHWJXTLSA-N 446.577 1.840 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CCO1 1727800259 GHTRQVDXSFMNST-SFHVURJKSA-N 430.534 1.467 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1729339292 HYMXMTJAYLHVSU-UHFFFAOYSA-N 449.563 1.903 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1729741320 HDYPXFPGCZJOGU-MSOLQXFVSA-N 430.534 1.229 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(C)C 1730955740 HUQABKYJKZZSMI-IHPCNDPISA-N 432.569 1.994 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1731181556 HZOWIQZOWFEZKZ-IBGZPJMESA-N 436.488 1.485 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1731186070 NRRBLYJZWVTIAO-FUHWJXTLSA-N 439.495 1.452 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740620170 BWBVFLMFUJPQOA-JWRCQZCYSA-N 447.586 1.268 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1740623718 ZOIBBAMDZUAPIA-HOTGVXAUSA-N 437.566 1.061 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740624765 ALZBZHQAELMXNI-XUVXKRRUSA-N 449.621 1.529 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740625531 QSRDURSMBRZSIT-KRWDZBQOSA-N 449.602 1.472 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1740637453 BRLZNIZPELJEJG-LJQANCHMSA-N 426.542 1.891 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1740664324 MGMWWXFNAXTTIC-UHFFFAOYSA-N 425.493 1.477 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1740671669 MAAWPTZYIWZNAU-QGZVFWFLSA-N 425.518 1.269 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCOC2)CC1 1740704583 TWNQSXOZOBFYKB-QFIPXVFZSA-N 427.480 1.201 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1740716691 WXKNYMLDQHETML-KRWDZBQOSA-N 426.546 1.592 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1740730928 LGUOZENISNTBEC-YLJYHZDGSA-N 448.549 1.619 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740995804 XUHBYJFFUZVNFH-DLBZAZTESA-N 439.582 1.424 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1740996833 RVXYVFXEJFCUKV-LSDHHAIUSA-N 440.599 1.241 30 10 IDEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1741122308 KIGZCCFCGUBBDS-UHFFFAOYSA-N 447.547 1.399 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 1748751145 CQBLLPPOZQAWNW-XLIONFOSSA-N 439.582 1.420 30 10 IDEE C=C(C)COCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1749239372 IMXGMDNAFDGXCI-HMFYCAOWSA-N 433.553 1.770 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)CC 1749471104 JPFLWYBTDGGENE-MHZLTWQESA-N 425.580 1.586 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1749488106 ISWVJRPXQSFQKU-SQGPQFPESA-N 439.582 1.438 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1749574653 BIIAUIRDRMMBHS-QFBILLFUSA-N 427.571 1.196 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCOC1 1749651919 BUYAMGGHIMSYQM-OAHLLOKOSA-N 447.565 1.074 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749660558 UEFMZETUBGFCHD-FXAWDEMLSA-N 435.532 1.276 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749676303 LPLZSNAEMDCUTI-QGZVFWFLSA-N 426.521 1.340 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749677929 POIKSDFJPHPYIZ-QGZVFWFLSA-N 426.521 1.430 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nnn(C)n2)C1 1749697960 PAYPZFLRWZXTEO-GJZGRUSLSA-N 428.472 1.910 30 10 IDEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1749705607 AASPUWWFABKPHW-APWZRJJASA-N 447.561 1.882 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1750083560 FHJAIFJMGOPFKX-QHCPKHFHSA-N 438.532 1.976 30 10 IDEE Cc1ccccc1-c1nnc(N2CCS(=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751674519 KIHRZWJZAUEFJY-ZZEZOPTASA-N 440.529 1.349 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1760207160 YXHDZQKAJJAEIY-UHFFFAOYSA-N 440.569 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1760268945 RZDRPYJVLWAOMH-SCTDSRPQSA-N 442.564 1.400 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760356496 OSTLSMVFISUCFX-KRWDZBQOSA-N 439.520 1.179 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1760494355 UYXIKWGVFFJLHB-LAUBAEHRSA-N 432.594 1.616 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1760523989 MKIHPLOVSQBWRO-SFHVURJKSA-N 426.521 1.818 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC1(C)C 1761488174 ZRGSSMZQHBZXBF-DOMZBBRYSA-N 445.549 1.469 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC2(CCOCC2)O1 1763090305 URTWETVNDRLPAE-SFHVURJKSA-N 441.532 1.990 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1769127895 JBGKQPCVVOWIDD-ICPLQIHGSA-N 438.532 1.973 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1769994459 JUXGBBGLFTURQR-RVKKMQEKSA-N 429.518 1.269 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1Cc1ccc(C#N)o1 1770065553 YYTUHTPGGGPGDM-RVKKMQEKSA-N 428.493 1.572 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1771004742 ADRDSTCBQPDTJW-HRAATJIYSA-N 445.545 1.229 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1771272953 ZBRCZDKTPLEDIC-HTAPYJJXSA-N 427.505 1.864 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772789311 DGYFROPCJKQICL-MRXNPFEDSA-N 434.495 1.841 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O 1853085521 SHWILNUEZTXHEH-OAQYLSRUSA-N 435.505 1.810 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c(O)c1 1862752343 XKQCEYDCRGZWFN-GOSISDBHSA-N 441.396 1.720 30 10 IDEE O=C(NCCCO)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931722 FWRRZQLAKACGSQ-QGZVFWFLSA-N 433.555 1.526 30 10 IDEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OC 1874341830 SZMKHXRHMAWRRS-FPQGOQEYSA-N 433.534 1.986 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3c(C)nc4c3CCCC4)CC2)CC1 1889339432 YTRFVOQIVQBAIZ-UHFFFAOYSA-N 441.620 1.719 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2025608123 ZBKADQMGUSALLZ-JXQTWKCFSA-N 425.335 1.886 30 10 IDEE C[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)N1CC(NC(=O)OC(C)(C)C)C1 2141664571 CXNBZBGRHCNXQT-CQSZACIVSA-N 446.357 1.917 30 10 IDEE C#CCn1ncc(NC[C@H]2CN(C)CCN2C(=O)OC(C)(C)C)c(Br)c1=O 2162334464 KLFDHCUZLKCVJO-ZDUSSCGKSA-N 440.342 1.602 30 10 IDEE N#CC1(CS(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)CCOCC1 2174780635 WSVIYOVQCQWCPZ-GOSISDBHSA-N 437.518 1.264 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243369920 INQSYBGEQORIHR-LLVKDONJSA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CO1 2243389711 KUBBSRBRIIVDNW-NSHDSACASA-N 425.316 1.723 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1 2255544187 VGVCIDZEJBSWPI-OAHLLOKOSA-N 436.314 1.633 30 10 IDEE Cn1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609593 IMWDHKOHDGIYSI-UONOGXRCSA-N 434.346 1.895 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267495043 XDIFCZBXAXDEDR-GOEBONIOSA-N 446.357 1.801 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)n1 2267545704 MOALDKGYZQUNST-MJBXVCDLSA-N 447.345 1.242 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1(CNC(=O)OC(C)(C)C)CCC1 2267546009 QKBZEVSRYFGYDF-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2267826746 LTQYWCLDACFDQB-JOCHJYFZSA-N 447.341 1.812 30 10 IDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267884722 SHAZXNOBTGAAKG-FOLVSLTJSA-N 444.341 1.713 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041399 WLOFIVZNLITBNN-LBPRGKRZSA-N 425.722 1.788 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2334272908 GIWSTUZSGGEPEN-BMFZPTHFSA-N 444.341 1.904 30 10 IDEE CCN(CC)CCOc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 17323804 VIFOVFXRJCHOJA-UHFFFAOYSA-N 427.509 1.137 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 32831396 HRALBFGCOHSAJY-DNVCBOLYSA-N 437.522 1.344 30 10 IDEE C#CCN(CC(=O)Nc1sc(C)c(CC)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 111191106 KLNDLUZCJZJFQJ-CQSZACIVSA-N 426.560 1.856 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(OCCC(=O)NC)CC2)cc1 429100228 SZRKBCWJDLZJCF-UHFFFAOYSA-N 438.550 1.642 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C)c1=O 447282574 IANPRLKBYFCROJ-UHFFFAOYSA-N 444.314 1.085 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1Cc1ccon1 478835840 AQAYXOCJVRXHIV-UHFFFAOYSA-N 438.484 1.453 30 10 IDEE COCc1nc([C@H]2COCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)no1 502006268 UAZRJXQXRPECJU-CYBMUJFWSA-N 443.279 1.612 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 502561557 QOAWKCVLLGWPHV-NRFANRHFSA-N 446.529 1.653 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)N1CCCCCC1 503624041 HEMVLVMSVAEIRI-UHFFFAOYSA-N 448.545 1.458 30 10 IDEE COc1ccc(CN2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c(OC)c1OC 509410758 ONRGTBABGOPGMS-HNNXBMFYSA-N 426.539 1.309 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)[nH]1 512702245 COQLXHDJDNSOOW-UHFFFAOYSA-N 446.467 1.110 30 10 IDEE N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 517826828 JZSLEOFIDIWQML-UHFFFAOYSA-N 425.454 1.645 30 10 IDEE CCCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 521682367 GQKMPCASJZHIGR-UHFFFAOYSA-N 443.529 1.958 30 10 IDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c(OC)c1 536378902 RBXVURQJTIQMQY-UHFFFAOYSA-N 439.515 1.686 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2Cc2ccccc2)cc1 558913811 OJCHBKYURLWBLQ-LJQANCHMSA-N 427.468 1.012 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 559639381 AKNPMUJZNOIQEC-SFHVURJKSA-N 425.554 1.754 30 10 IDEE CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2C[C@@H]1C 590763037 FMGVTQNJTTXVKY-HNNXBMFYSA-N 425.514 1.762 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 603799705 RWGCAMVDYHYJEQ-OAHLLOKOSA-N 445.491 1.492 30 10 IDEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 603800266 QJBWWNYKASOVCB-QGZVFWFLSA-N 448.552 1.353 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(F)cc1 603991106 XWMLPHVCDVIWGK-UHFFFAOYSA-N 449.463 1.548 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(F)c1 609254083 YGGPPVVCKPEERB-UHFFFAOYSA-N 447.448 1.822 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCN2CCOCC2)c1=O 612196789 DETLETGJAVDAME-UHFFFAOYSA-N 445.610 1.730 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCc2c(C)nn(C)c2C)C1=O 726887518 FWSFCHYSZFDEJT-MRXNPFEDSA-N 430.534 1.751 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 727418421 QUIOMEJJUQOEHU-UHFFFAOYSA-N 449.532 1.636 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 732439053 DUNYZXPAVDJGKV-NHKNDPDJSA-N 431.468 1.025 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(-c2ncccn2)c1 737979946 LDPCJYPTGPMKJZ-MRXNPFEDSA-N 439.501 1.754 30 10 IDEE COc1cc(OC)c(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 742552912 GYLAIWMKCBRZBS-CYBMUJFWSA-N 447.513 1.846 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 742820483 HAWYIDQDQQZVIB-QGZVFWFLSA-N 448.589 1.998 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1F 743229423 HMHFXTUGGOLYRZ-BBRMVZONSA-N 431.468 1.711 30 10 IDEE C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 744546766 SOUKWGLBQZLWHN-DOMZBBRYSA-N 443.319 1.283 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 749374417 DKQMIPHDSDUTTM-HUUCEWRRSA-N 425.557 1.319 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 774265113 IGHTWDIZBHGEKR-QGZVFWFLSA-N 433.578 1.473 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 777751294 CMIMBBZYSKTQPD-BBRMVZONSA-N 427.885 1.416 30 10 IDEE C=CCOCCNS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 779954515 RDWLRJBJAAJAFC-UHFFFAOYSA-N 425.244 1.559 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)cc1 780218471 QIZSAJQSUDYDOJ-SFHVURJKSA-N 446.257 1.652 30 10 IDEE Cn1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc2c(=O)n3ccccc3nc21 784547925 SZDGRFVFLIMYOD-UHFFFAOYSA-N 427.486 1.720 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)n1 788597000 WPIFEGZOHQQBMC-UHFFFAOYSA-N 445.545 1.980 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(Cn2c(C)nnc2-c2cccc(C#N)c2)C1 792713246 UQYWPAGNTNNEHC-IBGZPJMESA-N 432.550 1.455 30 10 IDEE CCOc1ccc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)cc1Br 798837856 DTHUVGSHFCIRDL-VIFPVBQESA-N 428.268 1.377 30 10 IDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800772851 SZYFTHOYVXRSGA-IBGZPJMESA-N 446.577 1.849 30 10 IDEE CO[C@@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)C1CC1 814707815 XHXLRPCABXONNM-OALUTQOASA-N 443.573 1.983 30 10 IDEE COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 853664927 CPXSGYVTOIEBTH-LSDHHAIUSA-N 445.497 1.654 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CCN(C(=O)CC#N)CC2)CC1 1137371816 YITZJLFEIYYMKA-UHFFFAOYSA-N 431.497 1.048 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 1142190911 JPSCKOFAAPTWLT-ZDUSSCGKSA-N 432.468 1.710 30 10 IDEE Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1S(=O)(=O)NCC#N 1162526301 DHTAWDCFTLGHRN-IAGOWNOFSA-N 448.545 1.878 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 1175515258 UWTHFOAUQDHAJO-UHFFFAOYSA-N 445.545 1.404 30 10 IDEE C=CCC1(O)CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CC1 1223902495 RVKIZLZKVNXAEX-LJQANCHMSA-N 431.533 1.973 30 10 IDEE Cc1noc([C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)C)n1 1251695883 JCSQXZRVWXDUAI-KRWDZBQOSA-N 432.506 1.663 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2=O)cn1 1268916342 IEIOYLRZQGLWDE-AWEZNQCLSA-N 437.435 1.718 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1286295300 IIMIGQJEUHBLMR-IEBWSBKVSA-N 447.561 1.456 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286316462 ISOGCUHYVFWNAR-INIZCTEOSA-N 429.546 1.819 30 10 IDEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286319594 NTZUZQTVGIYRLF-OAHLLOKOSA-N 426.908 1.549 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286415423 NKKHFFCKSXYVRJ-CEXWTWQISA-N 431.562 1.407 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2snnc2C)CC1 1286488687 QXGWOQWVLNRHCE-OAHLLOKOSA-N 447.565 1.176 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCn2ccnc2C)CC1 1286494536 VBWREBQRKOKCMH-IBGZPJMESA-N 425.537 1.343 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286504166 IYRGVYWFJNRHSL-OLZOCXBDSA-N 444.483 1.100 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286632031 CNPYMIKLLMBODS-UHFFFAOYSA-N 441.989 1.752 30 10 IDEE C=CCCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1286690995 AMOVSFCJJXYDLQ-JOCHJYFZSA-N 443.552 1.873 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1286806322 WTRRPWRRPYCSSZ-VGOFRKELSA-N 442.520 1.254 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1C(C)(C)C 1286824712 GYNAAOQKOKBFSQ-QGZVFWFLSA-N 436.582 1.971 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)N(C)C 1288606485 DWVSRVSSUOZZFA-MRXNPFEDSA-N 431.566 1.239 30 10 IDEE C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1288608096 VJJKKQMYMKJQQO-MAUKXSAKSA-N 427.465 1.303 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1291825560 BPJWSGCTHPNJTI-QFBILLFUSA-N 442.520 1.899 30 10 IDEE CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1292455887 AMAUBZAVLSCENV-ZCNNSNEGSA-N 437.548 1.823 30 10 IDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCNS(C)(=O)=O 1293066987 YCGKYJFRPQDYQZ-UHFFFAOYSA-N 431.566 1.368 30 10 IDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1299699127 PVZKGYDILRBVGA-HNNXBMFYSA-N 445.497 1.523 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1300311667 VFLLTZJCUBXLPB-IRXDYDNUSA-N 437.541 1.707 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1300455448 JSQABWDNLZSGIA-QHCPKHFHSA-N 438.532 1.922 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)nc1 1300459850 JHPAFPXDFVPLKB-UHFFFAOYSA-N 438.561 1.817 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1300528114 PZAPFICBIPOOAO-GOSISDBHSA-N 446.511 1.553 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1300681488 RJDDMHWUVUQUPT-INIZCTEOSA-N 432.550 1.073 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(N(C)C)CCCC2)CC1 1300711046 RQTKKLCQUBJDPJ-PMACEKPBSA-N 430.597 1.632 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301236968 LSXPYNHCUPXQKB-IBGZPJMESA-N 432.569 1.408 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301454409 VMGCHSJOLNRDSV-LLVKDONJSA-N 426.399 1.697 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301577103 FBSKRVRTMJEKRE-RHSMWYFYSA-N 433.509 1.400 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301577401 IZKRPNQDTZAWBT-FQEVSTJZSA-N 433.509 1.544 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1303009522 KLIHSCLPMZALGR-ZWKOTPCHSA-N 428.468 1.356 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1303643947 DTCGZZYIRKEJIA-WMLDXEAASA-N 430.534 1.484 30 10 IDEE C[C@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1305111354 BOQPMSAMVXVPRN-JKSBSHDWSA-N 447.559 1.730 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCCCN3C)nnc12 1306899670 JVGYCESHGUFODS-HNNXBMFYSA-N 426.546 1.923 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1310328026 CVDXGMLJZNZWRA-UHFFFAOYSA-N 448.423 1.838 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1316142506 JTWCFOSHELZRJN-UHFFFAOYSA-N 440.548 1.957 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1358890552 QZHFJUMMFDEDNK-HOCLYGCPSA-N 436.559 1.090 30 10 IDEE C#CCN(c1nnc(COCC)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358967188 FVBLPXQAGQCULW-LBPRGKRZSA-N 426.486 1.694 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1C 1359019092 KBUCUCKQLDNVKV-HNNXBMFYSA-N 439.969 1.984 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1359022776 MJEAIXVBUPZQFK-SFHVURJKSA-N 449.515 1.511 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccccc2OC)CC1 1359043725 FSGNVTSCHZFJMU-UHFFFAOYSA-N 445.527 1.952 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359062243 AARSHZDGSDXFHE-UFYCRDLUSA-N 449.621 1.527 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C 1359064154 MNIFLEIHTSZQNT-MGPUTAFESA-N 431.566 1.390 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@H](C)C1 1359082916 XIZYQKKUVJPUBN-LLVKDONJSA-N 437.298 1.581 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCCN(S(C)(=O)=O)CC1 1359105380 NRNPHYRKWRDZFZ-WMZOPIPTSA-N 427.571 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3nccnc3C)CC2)nnc1C(C)(C)C 1359335847 WVUOBJAXGJCNPD-UHFFFAOYSA-N 433.582 1.601 30 10 IDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)cnn1C 1360960151 CCPKFTXQQFYSGR-UHFFFAOYSA-N 439.545 1.920 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1 1435272129 QXAHSTPDDDVHKO-LJQANCHMSA-N 440.525 1.913 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)s1 1440880078 SLRHRUWLYXECKO-UHFFFAOYSA-N 447.535 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2ccc(C#N)cc2F)C1 1443562062 FGLUMTJYXJZSJG-HNNXBMFYSA-N 425.482 1.738 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1 1455568622 NMRAHORDSJGUDK-UHFFFAOYSA-N 438.513 1.648 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 1460774081 TUAIAVWKJIOGDF-XMMPIXPASA-N 439.512 1.998 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1)C(=O)OC 1463600504 VKWFWUMEIGLLTK-ZDUSSCGKSA-N 425.381 1.515 30 10 IDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)C1 1465872591 RVRSCZCYDONUNF-CALCHBBNSA-N 432.546 1.551 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1468476131 UHAWVCMQCTVGJQ-YHWKNFMLSA-N 435.424 1.075 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1470401230 QEEKFMIZZOBRII-UGSOOPFHSA-N 433.511 1.011 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1478861621 SBMFADXDISPZGF-OAHLLOKOSA-N 444.488 1.764 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CCO1 1504736923 XDUHASDEPLBOJV-NRFANRHFSA-N 438.532 1.842 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1504815033 KFVPWYKXRCKXPW-UXHICEINSA-N 437.548 1.500 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1504926927 ULHVPQAKDRMWDN-OAQYLSRUSA-N 438.532 1.842 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OC(F)F)c1 1505002153 WQRDXQVNMLNRQN-DZGCQCFKSA-N 438.435 1.776 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1507642412 UGLMDWFLARLLBG-FCHUYYIVSA-N 431.606 1.829 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)[C@@H](C)CCC 1507765498 SPNJGSWIVQKPGK-RZQQEMMASA-N 438.598 1.433 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1508086916 PWPXXPGSCBKEFR-UHFFFAOYSA-N 426.521 1.390 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508145214 KRQOJYMTDLBRPJ-WMZOPIPTSA-N 447.536 1.324 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1509803527 CCCNDLHVKPMCKX-SFTDATJTSA-N 436.532 1.923 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2cc(C)oc2C)n1 1511716749 GWISKMLPVHPMLP-GCJKJVERSA-N 439.520 1.986 30 10 IDEE C[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1512222045 PCWDWBSGIKUEAW-RHSMWYFYSA-N 434.522 1.360 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1513359210 YWCREVLQJVAVAU-INIZCTEOSA-N 439.520 1.911 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cnn(C)c1 1513367710 IKKNKHQKNTXEMA-UHFFFAOYSA-N 449.519 1.513 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CCO1 1514374620 AGKAHUKPTLVTEE-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N(CCC#N)CCOC)c1 1517496037 RATHMKKYUDYXIZ-IBGZPJMESA-N 426.521 1.946 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 1525838158 LWKROLMVPFGUGV-INIZCTEOSA-N 429.498 1.710 30 10 IDEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCO[C@](C)(C#N)C3)c2)CC1 1538538074 LOHIQNGBQRXMEE-LJQANCHMSA-N 440.953 1.421 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C(C)C 1539001837 KNSPBNBGPKICOO-MRXNPFEDSA-N 445.593 1.858 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539220970 MSMYTCSXKCCIPV-SJORKVTESA-N 437.566 1.061 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1539319574 BPQWPGKBCIZDQR-XMMPIXPASA-N 437.544 1.882 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1539807974 NQZFDDQMFHZJLJ-QGZVFWFLSA-N 426.922 1.519 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1540483944 HCMUSHFJEZGVJN-SFHVURJKSA-N 435.569 1.730 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1541991824 LWRSVWBFWCYSOL-NVSKLWTOSA-N 425.493 1.786 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1541997665 JTONCJDOAXRSMD-IAGOWNOFSA-N 442.545 1.355 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCn4ncc(I)c43)CC2=O)cc1 1542534809 YNYIEZJGSVBGSB-GFCCVEGCSA-N 447.236 1.759 30 10 IDEE CCc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1546427607 FPJWONBEDFOQHR-FMQUCBEESA-N 439.476 1.954 30 10 IDEE COC(OC)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1554673974 OCHOCWOBBOOSPD-GOSISDBHSA-N 440.504 1.583 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(O)cc1 1555663372 LBHSZCHHUBBSJL-LPHOPBHVSA-N 426.521 1.933 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555985273 LVOGJWQXEWAZIP-OSJDYMQXSA-N 429.456 1.488 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1 1561806555 YWDHORRASWEVMJ-LJQANCHMSA-N 430.530 1.177 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)c(C)n3)CC2)cc1 1585653222 BOKXMCFFJHAUFN-UHFFFAOYSA-N 443.529 1.152 30 10 IDEE C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1586715873 RXMAWBJSZUAMRY-UKRRQHHQSA-N 429.336 1.757 30 10 IDEE Cc1c(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cnn1CCC#N 1586759912 CGPJNFRNKAOBMB-GOSISDBHSA-N 427.480 1.692 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1588241157 LJRQOTJHZPPPTE-SFHVURJKSA-N 440.573 1.592 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NCc2ccco2)CC1 1588857973 WHFGPJAGQVEXNA-UHFFFAOYSA-N 448.527 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(=O)NCc2ccco2)CC1 1588885589 XNVFZWNTWZGMBQ-INIZCTEOSA-N 426.521 1.667 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1589053221 KEPSZIRTVIGWDO-SFHVURJKSA-N 436.541 1.652 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCSCC1 1595489430 GPEFLEGPJVUVDS-UHFFFAOYSA-N 425.356 1.902 30 10 IDEE CCOC(=O)N[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CC(C)C 1595583687 WNTOTRHWEGQHGZ-OAHLLOKOSA-N 438.550 1.782 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)N2CCOCC2)C1 1595699888 IPCSSJOCPYXGHD-IBGZPJMESA-N 427.505 1.594 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)C1 1595791238 XTXUFSNXQAXHGB-SFHVURJKSA-N 427.526 1.698 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1615904887 CSEYVOZYUOAVEI-QHCPKHFHSA-N 435.532 1.695 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1617385828 FGKBUNJADSIDKW-RBUKOAKNSA-N 444.561 1.761 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2F)C1 1620170651 HYEKTKBUHDDMSC-GOSISDBHSA-N 448.524 1.538 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)nc1 1624081766 HJNOKTSQKFCHBF-UHFFFAOYSA-N 443.533 1.779 30 10 IDEE CC1(C)NC(=O)N(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1627867344 XPMWQGJKFBNRPE-ZDUSSCGKSA-N 431.880 1.401 30 10 IDEE CCNC(=O)CN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1629103810 UTGCDGKYDDEDFX-FRIYVGAWSA-N 447.580 1.444 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1633445708 FQNJNRVPWCSKFU-QGZVFWFLSA-N 432.571 1.775 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1638977277 QNXYMQCHKFSKPX-ROUUACIJSA-N 436.553 1.528 30 10 IDEE C=CC[S@](=O)(=NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 1640208210 KJIDORJCFVGCMK-GDLZYMKVSA-N 447.538 1.660 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C 1640924762 UNPLBSABZICSRD-GOSISDBHSA-N 439.553 1.846 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2CSC2=NCCS2)CC1 1644282024 QKAPADUNWIAORR-UHFFFAOYSA-N 438.600 1.248 30 10 IDEE C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CCOCC1 1644568069 ZEQIIVQYOMNMBU-ROUUACIJSA-N 449.573 1.585 30 10 IDEE CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644636934 RMBNFLKMLTVVNL-NQCMUKECSA-N 439.559 1.684 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2nc(C)nc3sc(C(=O)OCC)c(C)c23)CC1 1651362198 ZZAWYOWSPVUDQK-UHFFFAOYSA-N 437.547 1.074 30 10 IDEE CN(C)CCC[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1654363220 JQGSELBCSUQAKY-FCHUYYIVSA-N 431.556 1.577 30 10 IDEE CCN(C(=O)CN1CCc2c(C#N)cccc21)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1654793176 DRWPFSMTKYXHIF-UHFFFAOYSA-N 444.495 1.867 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1C(=O)OC 1655080040 WPUYWVJECSUVIF-HZPDHXFCSA-N 426.391 1.067 30 10 IDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1665569687 FQGZQOCRLLLYKK-UHFFFAOYSA-N 428.601 1.909 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689860972 MBBKHBPLDQWHPF-ROUUACIJSA-N 431.562 1.639 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1689986829 XSPFTMYPCBKDLN-OAHLLOKOSA-N 428.518 1.807 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690017453 DQNXSWCPZIRASZ-IBGZPJMESA-N 441.557 1.891 30 10 IDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(=O)(=O)NC)CC1 1690113284 FMLHGTRIZRECEA-UHFFFAOYSA-N 442.589 1.053 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCOC)CC1 1690411950 YQXVSVMGIDTVIU-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1690669820 PUPCIGPNYGLOKX-OAHLLOKOSA-N 427.465 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@@]1(OCC)CCOC1 1690731142 AVNQNRQYGWIZHO-ABSDTBQOSA-N 442.582 1.392 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1693145301 CXXKSMRJNYWSSB-IBGZPJMESA-N 440.504 1.143 30 10 IDEE Cc1cccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1693181620 ISNMHHILPRIQLP-BSBNDGSWSA-N 437.504 1.790 30 10 IDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c1 1693300812 HKZJOQQPEVJNKB-SFHVURJKSA-N 425.518 1.645 30 10 IDEE C[C@H]1COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1693864082 BTOIFMPLZBQZOT-JKSUJKDBSA-N 432.475 1.597 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1696838868 HSIWVIWPOYAZEZ-UHFFFAOYSA-N 443.485 1.710 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)N(C)C)CCO1 1696961849 DYEFMSFWQFOEIT-PMACEKPBSA-N 439.564 1.744 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1698215400 NKUVLVXNXDTBHV-UXHICEINSA-N 438.532 1.975 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCOCCCO)c1 1698485423 YWUNCIJDMBKCEH-UHFFFAOYSA-N 440.548 1.517 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705533557 YKPANXFJLFJWFY-UZLBHIALSA-N 432.550 1.079 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@H]1C1CC1 1705588678 IIFBIINHPYOJHR-DJPFJPOOSA-N 433.578 1.556 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(Br)n1 1705625991 FCVDLIMUGAITIF-UHFFFAOYSA-N 430.310 1.970 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)CC1 1705639051 FBLPLVAIWYMKLY-HXUWFJFHSA-N 447.580 1.487 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705681315 RQVCVXGNANXHNQ-CHWSQXEVSA-N 430.303 1.552 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705901570 PLGIEVDLLMXQPU-IRXDYDNUSA-N 428.493 1.310 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705903851 WNKSBMUZUPVIFJ-UHFFFAOYSA-N 433.516 1.466 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCOC[C@@H]1C 1706315784 HMGZQNSNDQVXCX-MSOLQXFVSA-N 439.568 1.499 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1706746574 CBSSCKUGGCFMSQ-PMPSAXMXSA-N 442.611 1.635 30 10 IDEE Cc1coc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1707716609 QBKZFNHQMQJGIN-DYVFJYSZSA-N 436.538 1.465 30 10 IDEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710820550 DWYZUQLTFQHRCR-UHFFFAOYSA-N 437.548 1.744 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1711463136 AQLJFGXBWPMVQS-YLJYHZDGSA-N 435.484 1.936 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1712640090 VMOYNYPDQKTIHE-SPEDKVCISA-N 442.495 1.786 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCN2CCCS2(=O)=O)cc1 1712881732 GVAXTYWAXUUHPX-UHFFFAOYSA-N 448.574 1.317 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722329221 GGNICYKAARYJQF-GOSISDBHSA-N 429.488 1.762 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)N(C)C)CC1 1722445882 ZYPYRVZDEQTQFW-INIZCTEOSA-N 438.532 1.590 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1722537654 QDLVAJFTTAGIHS-OAHLLOKOSA-N 433.525 1.160 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1722549926 CKDZSXKCFKGJSC-CYBMUJFWSA-N 427.896 1.611 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1722667485 VKTGISFHOXOTRL-VQTJNVASSA-N 445.612 1.942 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1722701910 ALSSUFLUIBXITH-NVXWUHKLSA-N 434.541 1.387 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1722732986 UJMVRUDCGDCOER-OAHLLOKOSA-N 444.627 1.112 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCOC1 1723671283 OMJXYWPKWQHDKO-NRFANRHFSA-N 447.561 1.871 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1729673619 ZIASTQXBLMMDNT-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)C1 1731181463 HNJNHLYQRWQSQD-TXPKVOOTSA-N 425.530 1.971 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(CN3CCCC3=O)n2CCCCCO)CC1 1731185349 ZAZYONYAAGZUJU-UHFFFAOYSA-N 437.548 1.761 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740590799 JSRAGEVAZBMORK-JKSUJKDBSA-N 448.549 1.678 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740627357 GQIDLODDYMSNSA-WBVHZDCISA-N 436.509 1.658 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740671219 BFJFLWKFWUMDSA-INIZCTEOSA-N 437.566 1.507 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(C)c1 1740680544 GAHUEUWPIHNDNL-UHFFFAOYSA-N 432.326 1.914 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCN(C)C1 1740683988 HWGFXZLSYHZIRP-HSZRJFAPSA-N 436.516 1.753 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CC2)CC1 1740699949 ZZKDASNNZIHYDT-UHFFFAOYSA-N 446.349 1.900 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1740706324 VULKHTHXDUIHBC-HKUYNNGSSA-N 444.580 1.300 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740823317 AWJMAOZKTYGTLL-ZWKOTPCHSA-N 429.569 1.328 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)nc2)CC1 1740825739 STLQIBNAZBSCSF-GOSISDBHSA-N 432.550 1.519 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740991383 VPZKBVUYRZDBAW-CVEARBPZSA-N 425.555 1.083 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740994882 VSQOBNYYXQFCJW-RBUKOAKNSA-N 448.593 1.603 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCN(C)C1 1741648543 BHEYFCKLZSSGNX-XMMPIXPASA-N 449.559 1.648 30 10 IDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1747111173 FHEBDQBFZAYLMU-JOCHJYFZSA-N 442.543 1.842 30 10 IDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747738916 ZBAWXQHOSBZNCZ-LSDHQDQOSA-N 449.515 1.492 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1748760214 VTPKNNRPUFDNGM-UHFFFAOYSA-N 447.547 1.374 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)cc1 1748825800 GAHSFVMLFZCWSO-KRWDZBQOSA-N 429.546 1.797 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)CCOC 1748944740 CVUMUMXALASQML-AVRDEDQJSA-N 429.496 1.796 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCCC1 1748960272 GAVTWYCWIPKFDC-QGZVFWFLSA-N 428.537 1.824 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1748962355 FTZPOVASTKHRKA-LJQANCHMSA-N 447.561 1.496 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC1 1749016501 FRSOWOOMZSJZCX-GOSISDBHSA-N 444.486 1.654 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@H]1OC 1749598176 SQMVYBRHZOMSHP-MAUKXSAKSA-N 433.509 1.696 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749666072 GEFASDHVWOBHDM-AWEZNQCLSA-N 430.534 1.598 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCc2ccco2)C1 1749716905 DTLWLDOWGOVNQB-IBGZPJMESA-N 439.520 1.830 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)C(C)C 1749967863 TVXHBMQXTZJZPH-IVZQSRNASA-N 444.536 1.944 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1751927827 CDXKGPOOFFUZLW-LJQANCHMSA-N 448.506 1.663 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1752280332 WWXGCFFVNQNZJY-WGLILOHCSA-N 441.536 1.204 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1760174447 GFNYHAMWBSSVAJ-MJGOQNOKSA-N 447.561 1.456 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1760229689 BFEWAQVAWWNKOL-NRFANRHFSA-N 449.563 1.737 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cn(CCCCC)nc2C)CC1 1760260471 UAKHZFUMAIDVRU-FQEVSTJZSA-N 438.580 1.728 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2cnn(C)c2)CC1 1760269195 BEKZWQYFUURWSL-HXUWFJFHSA-N 439.564 1.852 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1760337840 WQNARCTYBQRRSL-SFHVURJKSA-N 440.614 1.499 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)N(C)C 1761395640 DXVCIGCWKCOMKX-MRXNPFEDSA-N 445.593 1.627 30 10 IDEE CCO[C@]1(c2nnc(N(CC)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1765848438 NNHVVNNCLFPGBT-FOIQADDNSA-N 449.533 1.457 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1767250307 GUOLTVAOVPZFLD-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CO)CC2)C1 1771357496 ADDCJCMSEUWGNL-SFHVURJKSA-N 444.561 1.307 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1772566657 QWDLRPYLBFFLQM-FHWLQOOXSA-N 443.596 1.622 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C)CC1 1772660250 MVSNEAXWYXNGNA-UHFFFAOYSA-N 440.533 1.678 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)CCN2C(=O)c3cccnc3C2=O)C[C@@H]1c1ccccc1Cl 1849100478 GSJIOCOWSNKPSG-BBRMVZONSA-N 444.900 1.900 30 10 IDEE CC(C)(C)n1ncc(C#N)c1NC(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851109101 MMNORYHVMFYCLB-SFHVURJKSA-N 429.546 1.790 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc4c(c3)NC(=O)[C@H]3CCCN43)CC2)nc1 1851445639 LQXOUBWQCDCECF-OAQYLSRUSA-N 446.511 1.853 30 10 IDEE C=CCNC(=S)NCCOC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 1852012192 WBVHOFBWHWTDPN-LBPRGKRZSA-N 426.336 1.995 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2C[C@@H]2C(=O)NCc2ccccc2)CC1 1852445750 YKKRDNBRCUUFOP-LEWJYISDSA-N 433.512 1.571 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)OC[C@@H](C)N3CCS(=O)(=O)CC3)n[nH]2)c1C 1853337583 ADXKOULOQMPUDN-CQSZACIVSA-N 435.550 1.742 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1854103421 NYPNIFOCLLNMSU-HUUCEWRRSA-N 431.514 1.672 30 10 IDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C2)CC1 1855839131 PGLCJYNDRCNSHQ-DZGCQCFKSA-N 427.402 1.741 30 10 IDEE C[C@H]1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CCS1(=O)=O 1856066202 YQBHNNPCJUNEDR-HOCLYGCPSA-N 437.949 1.904 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1ccccc1 1870357492 IILBATUZYWYZCI-UHFFFAOYSA-N 425.529 1.948 30 10 IDEE CCOc1cc(/C=N/n2c(C)nnc2SCC(N)=O)ccc1OCC(=O)N(CC)CC 1874531037 OKDGXWIZJFEIDE-SSDVNMTOSA-N 448.549 1.692 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987531099 MWOBJNLZHBFJDH-XHSDSOJGSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085656606 KKVGGMSFJSCMBX-UHFFFAOYSA-N 432.330 1.528 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2243405861 OHZRKTVXTLSWLZ-ZDUSSCGKSA-N 426.344 1.663 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255545428 PZIBRFFAHNESER-GJZGRUSLSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2255694096 LXEWIJIVQLJKFV-UHFFFAOYSA-N 433.314 1.404 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 2255818244 ILBJYZZIYOVDER-UHFFFAOYSA-N 432.330 1.412 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2256060737 IXNALDAYANDJFQ-ZDUSSCGKSA-N 434.302 1.447 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256064191 QOLXQHPLMXQNAR-ZSEKCTLFSA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256595616 NYGZNHZJGCFLAN-ZDUSSCGKSA-N 434.302 1.088 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)nc2)OC1(C)C 2256926768 DUNLNTYSEYVQHV-SFHVURJKSA-N 426.278 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C#N)C1 2267166412 RQRQVPJEEFNJSO-HNNXBMFYSA-N 443.313 1.361 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267177259 LMVCGSXBZZSXJL-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1 2267266665 RBYGZPAVQGVWOF-GOSISDBHSA-N 439.369 1.756 30 10 IDEE Cn1ncc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2267506015 QUMGMFOEANARIL-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE Cn1ncc(C(=O)NCCc2cnn(Cc3ccccc3)c2)c1B1OC(C)(C)C(C)(C)O1 2267511355 BHTZOAJCJITSMZ-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267882312 QQVOXHSTDCGCKE-UHFFFAOYSA-N 444.341 1.859 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)CC1CCC1)NC(=O)OCc1ccccc1 2286056306 WTWOLVCDIISZRA-GOSISDBHSA-N 437.518 1.800 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CN(C(=O)OC(C)(C)C)C1 2315533663 LRKPIYHXIJLGSB-CYBMUJFWSA-N 434.346 1.705 30 10 IDEE C#CCCN1C(=O)[C@@H]2[C@H](c3ccc(OCCC)cc3)N[C@@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 253375312 PGNDCYPFZQHZMM-VDNWNZSNSA-N 428.441 1.042 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1C[C@H]1CCCO1 427299898 AJYOXXCHCPLVFT-HXUWFJFHSA-N 449.576 1.773 30 10 IDEE Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443335347 SQZYDICTTLLTKQ-UHFFFAOYSA-N 427.505 1.784 30 10 IDEE Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c(O)cc21 461625282 UKBKMOAFSZHKGM-UHFFFAOYSA-N 428.470 1.912 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCCN3CCN(c4ccccc4)CC3)CC2)n1 544839951 KLRHZFLHBQGRIN-UHFFFAOYSA-N 433.560 1.997 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CCN1Cc1ccccc1 564477291 IQLJLNNZBKGOOI-INIZCTEOSA-N 435.459 1.287 30 10 IDEE C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@]2(CCCN([C@H](C)C(=O)N(C)CCC#N)C2)C1 574323518 XQSWWYBLDAUHCQ-ZRCGQRJVSA-N 430.597 1.686 30 10 IDEE C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)c1ccc(C#N)cc1 577302309 PBHHICAUCWKDOV-HNNXBMFYSA-N 438.509 1.339 30 10 IDEE C#CCN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 729334729 BSTCQIHKXNOFLO-LBPRGKRZSA-N 434.333 1.115 30 10 IDEE CN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2Cl)CC1 732707107 URPYEARJDHDRPB-KRWDZBQOSA-N 430.940 1.229 30 10 IDEE C#CCN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 744397212 DODWRRYRWXSSSD-KRWDZBQOSA-N 443.525 1.295 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1 753800047 LOIXQGBHXRLSAL-QJIFYWSCSA-N 440.522 1.324 30 10 IDEE C#CCC1(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CCCCC1 754530953 XXIPWUWEWDJDLS-IBGZPJMESA-N 425.577 1.923 30 10 IDEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)s1 769873975 RRDLKJODIXGSGA-UHFFFAOYSA-N 428.583 1.628 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 774487000 VLCYZBWIQYSQMK-BOUUXPLVSA-N 430.530 1.599 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCC2CS(=O)(=O)C2)C1=O 786683606 QYSYMMJHMPVAJZ-CQSZACIVSA-N 447.941 1.981 30 10 IDEE C[C@H](CS(C)(=O)=O)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790756665 GYPKYHZAIUHTJA-TZMCWYRMSA-N 446.620 1.181 30 10 IDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCc1ccc(C#N)c(F)c1 791315319 MFUAAALXSYHQOF-CYBMUJFWSA-N 433.461 1.809 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)CC1 792890219 JNYAQUWNYCPGQM-UHFFFAOYSA-N 437.566 1.270 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1 797429491 RYLZSQUORZXRFQ-XMHGGMMESA-N 431.927 1.687 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 805061828 NDXMWLXLRUIZPZ-MRXNPFEDSA-N 443.548 1.993 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 805784846 TXKBLEPRSUXUDN-KRWDZBQOSA-N 428.514 1.467 30 10 IDEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1 807929055 RJWJQFFIPFENMO-KRWDZBQOSA-N 443.577 1.632 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1 807934411 KEBHWNCJKHWQFQ-KRWDZBQOSA-N 429.550 1.323 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807936008 JTBCQHSJWQUDHG-MELADBBJSA-N 428.509 1.556 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc1OC 1084475054 ZAQKIPGBPTWURR-UHFFFAOYSA-N 431.478 1.457 30 10 IDEE CC(=O)Nc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc(O)c2)n1N 1084635494 XUCKBKYQTZCWOD-UHFFFAOYSA-N 440.489 1.833 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CC4(CCOCC4)CO3)C2=O)cc1 1132390933 UYJYAAVEXXSQBC-MSOLQXFVSA-N 426.473 1.465 30 10 IDEE C#CCOc1ccc(CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1141020444 IFFNNXOEVYLHNV-GOSISDBHSA-N 436.530 1.739 30 10 IDEE Cn1ccnc1[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)CO 1143511254 ZFUSFUJIOKLVLM-KRWDZBQOSA-N 433.534 1.115 30 10 IDEE N#Cc1ccccc1COc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1 1157916616 BMBRWAANIQBISL-IBGZPJMESA-N 428.514 1.925 30 10 IDEE O=C(C1CCN(C(=O)c2cccnc2)CC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161797107 IVZMPDGMNRAMTC-UHFFFAOYSA-N 436.468 1.838 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1S(=O)(=O)NCC#N 1179739445 LSSCOIIFVANDTA-JKSUJKDBSA-N 434.518 1.631 30 10 IDEE N#C[C@@]12CN(C(=O)NCc3cc(F)c(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1227949728 CDALSGXZPJQYST-BONVTDFDSA-N 434.262 1.807 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC2(C1)OCCO2 1286414652 BSRNPABQKJHBOJ-KRWDZBQOSA-N 439.541 1.886 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1286421022 AAPVBXJMGHYFSV-JOCHJYFZSA-N 429.521 1.624 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286438468 ZJHCQYDNRNLGEI-XLIONFOSSA-N 439.582 1.202 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1286475192 SSARUFONAXKWJL-UHFFFAOYSA-N 431.544 1.878 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286480311 VMITVJFXGMUHBY-SELNLUPBSA-N 427.597 1.495 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(N(C)C)CCCC2)CC1 1286494018 QYVSAOGJBPIJOM-IBGZPJMESA-N 428.581 1.622 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCNS(C)(=O)=O 1286561593 BZVGXTLCKSUZAW-WMZOPIPTSA-N 439.607 1.897 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1286562781 SJNJQYMBVNTNDG-WMZOPIPTSA-N 434.566 1.346 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286784371 GAPDKDYCSVVUNS-FQEVSTJZSA-N 449.964 1.916 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286787399 FLTNCSZTHZJRRF-IEBWSBKVSA-N 433.553 1.844 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1288524704 GDNPKELZCGMXBH-MAUKXSAKSA-N 448.549 1.298 30 10 IDEE CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1293117195 XLWCZYNGLSLCBK-QZTJIDSGSA-N 439.564 1.980 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CCOC)c1 1293226782 CTTHCTQMQMDHRS-IBGZPJMESA-N 434.504 1.423 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCc1ccco1 1300441513 QCLXIEBIBXHLSQ-UHFFFAOYSA-N 427.486 1.327 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300496313 PPXYFNXKOSZTFZ-MOPGFXCFSA-N 449.621 1.673 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1300710487 CWHBFUQPFZFZCH-LJQANCHMSA-N 429.546 1.337 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC[C@H]1C 1300811078 PVKCKPAZJXCAOC-QAPCUYQASA-N 432.550 1.617 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300823243 AFPHVMCJXDOEEQ-CYBMUJFWSA-N 440.346 1.365 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1301259469 MRSQWPNXYDNLED-UHFFFAOYSA-N 432.550 1.531 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1301578421 AISBKKNBCLDMTQ-IRXDYDNUSA-N 436.582 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301596661 VHTWJWZWIDURKM-XSLAGTTESA-N 442.582 1.607 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1301854302 VAHFBCVZSMXHSW-CVDCTZTESA-N 438.532 1.975 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 1302924000 HKACROMQTOYGRH-UHFFFAOYSA-N 436.278 1.153 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC[C@@H]1CCOC1 1306201087 ZHKDRVCLGHMINI-ROUUACIJSA-N 440.552 1.660 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1306547457 HJIUKFAPPFHHEB-INIZCTEOSA-N 428.562 1.938 30 10 IDEE C#CCNC(=O)CN1CCN(C[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 1307801551 ZKLVPODIGPAFJG-LJQANCHMSA-N 434.581 1.160 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1 1314262233 UTJUUBGZIXMXNK-UHFFFAOYSA-N 447.561 1.618 30 10 IDEE CCOCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314282730 FYSPFCWXKBYZQU-KRWDZBQOSA-N 439.520 1.827 30 10 IDEE C[C@H](CC(=O)Nc1ncn(Cc2cccnc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 1319120925 HTPBBXSLIGIVLW-CYBMUJFWSA-N 425.474 1.177 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCN(c4cnccc4C#N)CC3)c2)NC(=O)NC1=O 1326083493 GKIWSJKRJBIIJG-QFIPXVFZSA-N 433.472 1.040 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1358949023 RBIHPCRRIHMESO-IEBWSBKVSA-N 447.561 1.456 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nncn2CC)CC1 1359031810 QHWZWSMTSRBTEG-UHFFFAOYSA-N 436.520 1.377 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CC(C)(C)O)CC1 1359034261 JVLUZTBBBCZHIC-UHFFFAOYSA-N 449.559 1.591 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1359041726 GBQQQCGBTNJJFP-UHFFFAOYSA-N 447.543 1.697 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(N)=O)C1 1359076600 GTSIJAAUKJXLRE-LBPRGKRZSA-N 427.347 1.807 30 10 IDEE C=C(Br)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359088780 SSFNARWPXVOLLS-SUNYJGFJSA-N 440.342 1.554 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC(C)C)CC1 1359098229 YTWQDLOLRQBUJR-ZJOUEHCJSA-N 446.596 1.757 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359341998 MHGLYNYNXFDJOP-STQMWFEESA-N 446.499 1.653 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)s1 1448075823 FARHTTUWQXSLQZ-LLVKDONJSA-N 439.481 1.282 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1452937268 AKKXMDOQPYHTPX-GOSISDBHSA-N 426.542 1.916 30 10 IDEE N#CC1(C[C@H](O)CN2CCN(c3ncc(I)cn3)CC2)CCC1 1460579262 PMBFXIFHQILXNH-AWEZNQCLSA-N 427.290 1.648 30 10 IDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)CC1 1465076957 WABLGDNEWLWECC-INIZCTEOSA-N 449.529 1.252 30 10 IDEE C#CCC1(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCOCC1 1471318974 FUOUGIZSYRUVGK-MRXNPFEDSA-N 443.566 1.282 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 1471832374 CPPVBAJYPZSAOM-OAHLLOKOSA-N 428.352 1.331 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3ccc(N4CCNC4=O)cc3)CC2)o1 1473576429 CAIWMXMBIBPTEQ-OAHLLOKOSA-N 437.504 1.384 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)cs1 1492681582 BBQUCSWAIXLGIJ-HNNXBMFYSA-N 427.490 1.386 30 10 IDEE CCOC(=O)N1CCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1502491624 ATTIRFROOCWYPD-UHHPSXQGSA-N 445.524 1.597 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1504926926 ULHVPQAKDRMWDN-NRFANRHFSA-N 438.532 1.842 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507589420 KWMXCWSTENJEEK-UHFFFAOYSA-N 429.532 1.918 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507590890 FYIGQCYGNKVUCJ-LJQANCHMSA-N 441.580 1.214 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507627735 FUJHMWBTKOSEQG-CQSZACIVSA-N 446.533 1.919 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc(C(=O)N(C)C)c2)n1 1507717192 QISBMYXMYBDZFX-UHFFFAOYSA-N 435.532 1.819 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)s2)CC1 1507721808 MLIZAARPORHXEW-ZDUSSCGKSA-N 442.998 1.407 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1507721929 VJJRGBWUYJUSGR-FQEVSTJZSA-N 438.576 1.677 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)CC1 1507735379 UYDPKSQTINXEEW-DEOSSOPVSA-N 432.528 1.944 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508094495 YHERLXZPOWUBKP-JKSUJKDBSA-N 434.541 1.530 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1508095694 RIVMPEDIWFSYTK-UHFFFAOYSA-N 443.596 1.057 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1512427512 USBSFXAHWKWFED-DSGGYQJVSA-N 435.488 1.138 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514285572 HYQJSVONEZMLQU-NSHGMRRFSA-N 443.596 1.901 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1516005678 HUFCMHNHYGOPGA-UHFFFAOYSA-N 433.520 1.955 30 10 IDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1516124167 BRUDAYXFSXZTRD-GPMSIDNRSA-N 440.570 1.093 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1517123518 DBCIMMJIXZZTFI-MOPGFXCFSA-N 445.545 1.494 30 10 IDEE Cn1cnc(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)n1 1517401096 BFEAMGNVVINGOQ-AWEZNQCLSA-N 429.282 1.613 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CCO1 1517538048 LMPKZNYBUGJCIA-CVEARBPZSA-N 432.431 1.192 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)C1 1519531328 OSNYIKJDPMZFOH-UHFFFAOYSA-N 425.461 1.723 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CCN1S(C)(=O)=O 1520760734 DCSOHOZPJQCBKP-FUHWJXTLSA-N 444.561 1.713 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4C[C@H]3CO4)n2CC(=O)NCC(F)F)cc1 1521101601 DPIJUPWGHRJCAC-HOCLYGCPSA-N 432.431 1.478 30 10 IDEE N#CC1(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCSCC1 1523211820 HWFAJSAXKBESQU-CQSZACIVSA-N 443.572 1.127 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OCC 1531936720 JJOTYSNKZSDRKL-OAHLLOKOSA-N 447.941 1.883 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N(C)C 1538985764 DBJYVACLMIHRQQ-CYBMUJFWSA-N 425.942 1.956 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1539180027 VFELVPIJTVYUHF-GOSISDBHSA-N 433.534 1.068 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCS(C)(=O)=O 1539190470 KKDNGLCTGSNNQU-UHFFFAOYSA-N 444.605 1.147 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539226492 ZFSUABLOGWYWMU-WOJBJXKFSA-N 433.622 1.978 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1539429820 CTHKFZXDNNJVKY-QPPBQGQZSA-N 444.624 1.806 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCc2cccnc21 1541927881 RHWIXMOOLBGXRT-UVFQYZLESA-N 447.540 1.845 30 10 IDEE N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1F 1543999332 HTMKFKPERAALFB-UHFFFAOYSA-N 447.423 1.565 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1554230978 GETIMHURKUVJRS-GOSISDBHSA-N 436.520 1.854 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1555328049 CWWGMQIPTKPGMW-AWEZNQCLSA-N 444.517 1.869 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1555664674 SHMXWKJAZXDTPD-AEFFLSMTSA-N 447.584 1.341 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1555806317 GVTJFAAPHGMWHQ-DLBZAZTESA-N 428.518 1.109 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370630 QBXMQAFNIYXTPR-UHFFFAOYSA-N 435.546 1.826 30 10 IDEE C#C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1560210233 PNQUVPLKNVGILY-INIZCTEOSA-N 425.938 1.787 30 10 IDEE C#Cc1ccc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1569258110 RJIVWRMAIYUNSA-UHFFFAOYSA-N 439.537 1.597 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)c1 1570635013 FDJFGGCDDHZPLN-IBGZPJMESA-N 427.526 1.929 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1570654116 AUTPLQRAMVJAQL-OAHLLOKOSA-N 437.928 1.865 30 10 IDEE CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585132706 TTZGMZDXJYGOBE-KKSFZXQISA-N 428.514 1.917 30 10 IDEE Cn1ncc(C(F)(F)F)c1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1587109331 KUAKCTNURKJHFQ-AWEZNQCLSA-N 434.378 1.832 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1587497905 HRTJYYQWAFVXLU-OPAMFIHVSA-N 432.521 1.474 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1587638117 BTFJVQHKIPSASQ-SJLPKXTDSA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1587909308 IMXZQIKJBGNXMH-HUUCEWRRSA-N 443.533 1.811 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588262521 GERNJFXMDUXDRU-IAGOWNOFSA-N 436.582 1.080 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)C1 1595729679 NUMBBXRXIITMLD-MAUKXSAKSA-N 449.533 1.121 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1595830885 IWKVCWBIYCTFMJ-FQEVSTJZSA-N 449.508 1.908 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1595967604 BZZRZDSVIREIGZ-PGRDOPGGSA-N 440.573 1.989 30 10 IDEE CC(C)Cc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603474569 ZZQWVWBDACGXAQ-DKYWCIHHSA-N 428.537 1.866 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1610304550 FQVGJWQBWHQHDU-MRXNPFEDSA-N 444.565 1.583 30 10 IDEE C#CCN(CC(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1611419185 NRXAYOHUAMRKRI-OAHLLOKOSA-N 425.526 1.552 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1611620797 AAJYAZSYBQEIEW-PKOBYXMFSA-N 428.512 1.705 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1611766804 BTAGUUHNKOYKPB-DIYRITFWSA-N 425.493 1.438 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCC(F)F 1612657106 AUFXWAFBKJIJOL-CQSZACIVSA-N 434.447 1.677 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1614974520 GAOYOWIXRXWOHE-KRWDZBQOSA-N 425.537 1.500 30 10 IDEE CCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cn1 1615007941 GHFZLCAIEXVMEM-KRWDZBQOSA-N 425.493 1.475 30 10 IDEE CCN(CCCn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1)S(C)(=O)=O 1615624836 DCYIBLLLAJDFNN-IBGZPJMESA-N 446.577 1.962 30 10 IDEE COC[C@@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1619611157 FEJNBOVWDRXCGT-STQMWFEESA-N 427.278 1.759 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2OC(F)F)CCO1 1620355140 GXAFPSZQSZESGF-GJZGRUSLSA-N 432.431 1.802 30 10 IDEE CCOC(=O)[C@@H]1CCCN(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1625332341 MTERALQSBLPZRM-QGZVFWFLSA-N 438.532 1.650 30 10 IDEE C[C@H]1COCCN1C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1628856912 HZOUNYAJFCELTP-CVEARBPZSA-N 434.562 1.215 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)c1C#N 1638117248 PBHLCQLOWISFKD-SFHVURJKSA-N 426.477 1.409 30 10 IDEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)C1CCOCC1 1641857664 GCLFJLQJROUTHD-IAGOWNOFSA-N 440.587 1.832 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2OC2CCOCC2)CC1 1671236303 ZKJXFFYNQQACNS-UHFFFAOYSA-N 440.497 1.001 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCCc3cnc4c(Cl)cnn4c3)CC2)c1C#N 1673015834 SLFDSLUBYBHMEF-UHFFFAOYSA-N 427.900 1.371 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 1685279063 CPODUKMHVBNVHT-KRWDZBQOSA-N 427.530 1.604 30 10 IDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689997135 WMCNHNWESRUXLV-GOSISDBHSA-N 444.557 1.571 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1690028515 ZGVPBKWNEVGUEC-KRWDZBQOSA-N 426.521 1.725 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1690104349 UITYSVPKGCDXQE-MRXNPFEDSA-N 448.545 1.332 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 1690420979 VEORGAATPDJKGR-INIZCTEOSA-N 448.597 1.607 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC 1690596961 FQMUPPFJQZBUGX-SQNIBIBYSA-N 439.582 1.605 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690629129 FHNNXYFNFWHAAQ-ZDUSSCGKSA-N 426.493 1.679 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1690672098 HOHDFUZHYJDFAP-HNNXBMFYSA-N 432.475 1.554 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1690736842 QKSJGLBNTMVWET-INIZCTEOSA-N 433.559 1.997 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1691016111 LGEWHUBEEUIBOL-DAYGRLMNSA-N 433.534 1.490 30 10 IDEE CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695183349 XQLPGLWQRSHZIY-GOSISDBHSA-N 443.577 1.964 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1705477827 SIOPFLATYDVMJN-QWHCGFSZSA-N 427.477 1.996 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1705569163 CWBYYISNLPIQAL-IBGZPJMESA-N 427.530 1.237 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1705570747 UBBXPUJZHVLIDE-KRWDZBQOSA-N 433.578 1.164 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1705571388 ZEEDWYBXKHTPQV-GOSISDBHSA-N 449.577 1.480 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 1705589307 OWFGEXHYNYADMV-UHFFFAOYSA-N 448.575 1.416 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705659560 ACCBYTYUXNDHSN-IBGZPJMESA-N 447.605 1.961 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1705880622 KWNZZBKYGCJSHO-NVXWUHKLSA-N 433.534 1.492 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1705929122 ZYIIVSKQWOBZJS-IEBWSBKVSA-N 447.561 1.889 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)NC)CC1 1705935515 UIAVSFNEAUHERZ-UHFFFAOYSA-N 445.589 1.741 30 10 IDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)cnn1C 1707022771 IEFYQLCPYBCKNH-UHFFFAOYSA-N 434.504 1.202 30 10 IDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cnn1CC(C)C 1707031002 BTCBNUWUMQKVCW-UHFFFAOYSA-N 448.531 1.874 30 10 IDEE CCc1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709095319 VEIAMCHOSRRQND-AINLKENTSA-N 436.516 1.773 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359584 UTDBYRSSZZYUTE-GOSISDBHSA-N 433.578 1.934 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722360887 CLDZELIPCIYBPR-UTKZUKDTSA-N 432.546 1.741 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCS(=O)(=O)CC1 1722375076 JQILDZOGDZPBIZ-UHFFFAOYSA-N 427.486 1.751 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CC2)n1 1722429009 FOIKJGHXPKJSGF-KRWDZBQOSA-N 432.550 1.073 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C)CC1 1722692398 KUBQEEIBZTYPDU-UHFFFAOYSA-N 437.548 1.451 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCOC1 1722693032 BRGYYWUDDUHJCD-OAHLLOKOSA-N 433.534 1.124 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1722738452 JSOONXUROHQVKA-DLBZAZTESA-N 425.624 1.774 30 10 IDEE CC(C)c1nnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723149689 DKGNMVOJETUHPZ-JCBINSKWSA-N 444.536 1.702 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cs1 1725227929 WQPYRHLPBMKDPB-HIFRSBDPSA-N 437.595 1.654 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccc(F)cc2)CCO1 1731185863 GMAAYANUYOMYSV-GOSISDBHSA-N 428.468 1.851 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1740548124 DFARHJUAOUWIPZ-DLBZAZTESA-N 428.537 1.701 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(C)COCCO2)c1 1740564626 SMRCKMGYZSMDSX-JPYJTQIMSA-N 439.516 1.644 30 10 IDEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740584771 JYTSTIQBRONUJT-NVXWUHKLSA-N 440.479 1.118 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740598340 NASZFQWAHOWXGP-UFYCRDLUSA-N 444.580 1.158 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccco1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740625865 INVOPLPZTMCNJD-ROUUACIJSA-N 431.562 1.897 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740852726 RBYXDPGUBHMJHW-JTSKRJEESA-N 435.569 1.872 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1740932288 LCFKEJKJUDMMPI-SFHVURJKSA-N 438.598 1.275 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCS(C)(=O)=O 1740957053 ZRVZCGHLRUVICJ-UHFFFAOYSA-N 429.905 1.521 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1740966589 UOEVIIFHMBECTB-CRAIPNDOSA-N 443.504 1.503 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1741002365 HWGAOOYGFLJAEB-QGZVFWFLSA-N 427.640 1.877 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1741132760 JTMUBBDBMFGDPA-KSSFIOAISA-N 434.504 1.934 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741193554 UKTGFGKVHREKRL-UFOSLELVSA-N 429.525 1.095 30 10 IDEE Cc1cccc(C)c1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1742306967 CLNRCHPTOJTWQT-SJORKVTESA-N 448.549 1.313 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@H]1COCCO1 1743753936 PWUDRYCBKKPXQO-RCCFBDPRSA-N 440.552 1.974 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C[C@H]1O 1748334033 TWRPVOBBTMKJNB-GUDVDZBRSA-N 425.489 1.746 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748811551 IKQXIRHMNYCGJF-GOSISDBHSA-N 442.520 1.687 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1748922632 GGNDOMPLSGKHNU-QGZVFWFLSA-N 435.532 1.372 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CC2)CC1 1749014033 CEROPIVPTOQUTF-QGZVFWFLSA-N 433.578 1.336 30 10 IDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1749198689 RNNDFPJWIXNYTD-IBGZPJMESA-N 448.593 1.717 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCOC2)CC1 1749331646 RRHBOJAOJMFSMS-OAQYLSRUSA-N 432.546 1.902 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1749461811 XDEWIZHMDGZWBH-OAHLLOKOSA-N 432.550 1.529 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1749663842 RWQZXUJUJHRKIU-OAHLLOKOSA-N 439.549 1.377 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1749670420 QZVXGUALWVGDBF-HZPDHXFCSA-N 434.541 1.578 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749703346 GQLYYLDETLMKEV-WIYYLYMNSA-N 443.529 1.148 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)C[C@H]1OC 1750189994 GCDODXRMKZUBRY-PCCBWWKXSA-N 440.548 1.919 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1760207416 IEEOXBVFRUQFEP-MRXNPFEDSA-N 442.317 1.971 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760276125 TUZITXRKKPRAHM-UHFFFAOYSA-N 444.586 1.655 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760276823 QASLXBLKJCZETQ-OAHLLOKOSA-N 431.953 1.916 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1760695317 FRKNAHZTLAOSBW-CABCVRRESA-N 435.529 1.271 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760947146 BFGBIEGPDPIYAK-RXVVDRJESA-N 429.546 1.991 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1761545360 UGQPSRXPPPFQRV-BDIWWCJBSA-N 446.515 1.920 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767235455 ZMYFNGLBVUPYAA-NMQZXRHPSA-N 444.536 1.561 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1770160670 YQYMVZKRMMTLOE-UHFFFAOYSA-N 440.548 1.781 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1770309885 VTTIFLSECVFKEB-AWEZNQCLSA-N 436.925 1.690 30 10 IDEE COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853949131 YDIRFCSGQQGCPS-UHFFFAOYSA-N 433.873 1.894 30 10 IDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@H]1C 1854311686 KLFXYAQNSOREOD-HZPDHXFCSA-N 425.576 1.784 30 10 IDEE CN(CCN(C)S(C)(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172782606 UJJIGEIRKQJIRD-UHFFFAOYSA-N 448.192 1.471 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)C1 2247556333 GBLIDVKAXHPLCO-XXUFKVEXSA-N 437.537 1.949 30 10 IDEE CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C#CB1OC(C)(C)C(C)(C)O1 2247802951 YVJGDHUKIPHWDG-UHFFFAOYSA-N 426.319 1.295 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248403875 ITDQVURVBNZLPK-CQSZACIVSA-N 446.375 1.618 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248405831 TXIMHBFGAPQGAD-WLRWDXFRSA-N 436.343 1.455 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255699321 WWHRMPMUIBEIBB-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255838177 BJDUIXZNZJOXIO-STQMWFEESA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255841651 GBOHRXLHCBKXQX-HUUCEWRRSA-N 432.330 1.951 30 10 IDEE CN(CCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)Cc1ccccc1 2255940623 CMDXFDLWBVOKJI-UHFFFAOYSA-N 448.398 1.520 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256613529 JJKBTYWMFVBLLC-GFCCVEGCSA-N 434.302 1.088 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2259114207 YLDNHVNUSLOPBV-UHFFFAOYSA-N 435.330 1.368 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2266072170 KNWIMXZUAQBHFQ-UHFFFAOYSA-N 446.357 1.730 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267141842 ZNFUDCFBCABEKA-GYSYKLTISA-N 444.263 1.627 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2267260289 MDFHGWKVFYZTTN-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2267588880 RYPREQZEXBSEFW-KRWDZBQOSA-N 447.341 1.435 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268624254 SJHBSNWKGDFOQP-GOEBONIOSA-N 447.341 1.937 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2C1=O 28323630 LPUXIASQOSXBGF-CYBMUJFWSA-N 427.482 1.949 30 10 IDEE O=[N+]([O-])c1cc2c(cc1/C=N\Nc1nc(N3CCCC3)nc(N3CCOCC3)n1)OCO2 32923376 UTUDLYDQJLPVSW-JAIQZWGSSA-N 442.436 1.391 30 10 IDEE CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1c(N)nnc1SCC#N 40173426 GRDVGEMESMHLQB-HNNXBMFYSA-N 449.562 1.850 30 10 IDEE CSc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443834 LFAZAECGWXWYCA-LSDHHAIUSA-N 438.513 1.417 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2F)c(C)n1 102753932 AYBMDUBORUZDTD-GOBJLOIFSA-N 440.475 1.986 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)CC1 105264488 WNAHPZCSRKUSPQ-RBUKOAKNSA-N 426.561 1.999 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 238874940 NUSKBCXGCQVJSQ-INIZCTEOSA-N 439.497 1.416 30 10 IDEE CCC1(CC)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCS1(=O)=O 428820774 ARFGQINUTMWMMS-UHFFFAOYSA-N 427.548 1.226 30 10 IDEE Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C#N 441643223 BMUHMPOQUWZUNL-UHFFFAOYSA-N 437.481 1.210 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460367876 CLAQDDBTJLRNHR-UWJYYQICSA-N 433.578 1.995 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cc1 478742451 FEYVDWRIFXBCCU-OALUTQOASA-N 438.549 1.896 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 508791566 BOYHDIXIYGULRX-HXUWFJFHSA-N 427.534 1.941 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508882128 VDQBKLRUTCIHMO-HRAATJIYSA-N 446.529 1.551 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 508885534 QNVHITUKLVCKQE-FUHWJXTLSA-N 435.525 1.930 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3c(C)nn(C)c3C)C(F)(F)F)CC2)o1 508913905 JNZNREJUHRJSRQ-QGZVFWFLSA-N 439.442 1.747 30 10 IDEE COc1c(C)cc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 509418511 UOEMYDAYZSVXAX-UHFFFAOYSA-N 449.554 1.879 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1C[C@@H]1CCCO1 518720059 FHLILAKSCYMNBH-HNNXBMFYSA-N 446.598 1.527 30 10 IDEE CN1C(=O)CCc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 534601682 RWOZLAXJSYITPL-UHFFFAOYSA-N 438.509 1.614 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 542015628 OPUQASIKSSIIFZ-RGCFKVTRSA-N 439.859 1.888 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 549675399 HURCXGLVEVFHJD-MRXNPFEDSA-N 438.598 1.693 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H]2CCOC2)n1 549695613 KSYROYFXQPWSTJ-IBGZPJMESA-N 447.547 1.770 30 10 IDEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCCn1c(=O)c2c(ncn2C)n(C)c1=O 563309680 HVFHPUMNNJEZOA-UHFFFAOYSA-N 438.875 1.672 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 564613565 QUHAOGBPVYRIBK-QGZVFWFLSA-N 426.587 1.108 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 571251786 PCAIOXFMWRCTFM-CQSZACIVSA-N 446.451 1.144 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCN3CCOCC3)c2=O)o1 679754910 FOTIRMCJUWTMQV-UHFFFAOYSA-N 441.553 1.406 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717209 HIBMWSAMRKOQSU-OAHLLOKOSA-N 430.465 1.712 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C/c2cncc(C(=O)NC)c2)c1 731981463 AKWICJPKAQHRSM-BQYQJAHWSA-N 432.480 1.328 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCNc1ncccc1C#N 732503970 SGHJTYMIWXRYET-UHFFFAOYSA-N 430.486 1.552 30 10 IDEE N#C[C@H]1CN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CCN1C1CC1 732651485 BJJLZZVLLCYJGL-HNNXBMFYSA-N 433.306 1.763 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCN1C1CC1 732705758 GWSAZHPJPJIDTP-QFIPXVFZSA-N 436.560 1.356 30 10 IDEE CCC(=O)N1CCc2cc(C(=O)COC(=O)CCN/C(O)=C3\N=CC=CC3=O)ccc21 741341113 PHIKMHDSESPZDP-QURGRASLSA-N 425.441 1.628 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCNC(=O)N1CCc2ccccc2C1 744143524 DRGHOKPYJQOONP-UHFFFAOYSA-N 426.498 1.830 30 10 IDEE COc1ccc(COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)cc1C#N 746954873 UIFSTWFTEGJSGN-KZULUSFZSA-N 438.889 1.991 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 751676454 BEKNVHCFWVLDKQ-CABCVRRESA-N 425.445 1.650 30 10 IDEE Cc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1 756849828 TVGVKTMTWIRJSB-UHFFFAOYSA-N 446.479 1.178 30 10 IDEE C/C(=C/C(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772816293 UPERZMJVHSMIRX-SSZFMOIBSA-N 433.530 1.927 30 10 IDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C)[C@H]1CCS(=O)(=O)C1 774034138 FNSJHOIBBZYKJL-INIZCTEOSA-N 441.575 1.678 30 10 IDEE COc1cc(Br)c(F)cc1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 779892534 GTSWOPUZLGREJV-PFONDFGASA-N 448.270 1.402 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)Cc1ccc(F)c(F)c1 791488671 JIQDVYCSXFXYDN-CQSZACIVSA-N 437.468 1.361 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CC1 795025603 ADRHNBBQRSJKME-XZOQPEGZSA-N 438.572 1.791 30 10 IDEE O=C1N=C(NN=Cc2cc(I)c(Br)cc2F)NC1=O 799112053 OUVVNHROAHYPOW-UHFFFAOYSA-N 438.982 1.129 30 10 IDEE C#CCN=c1nc(N2CCC[C@H](OC(F)F)C2)[nH]c(N2CCC[C@@H](OC(F)F)C2)n1 804606472 PEAPMWKHWOOSEC-BETUJISGSA-N 432.422 1.755 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1 915617785 TWPOKPFBSPZIJI-UHFFFAOYSA-N 428.533 1.482 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)s1 1137521969 YBYRQXOIKJPDKG-CQSZACIVSA-N 425.576 1.805 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 1141370298 GXJUSSNTVGXWDR-JOCHJYFZSA-N 434.537 1.376 30 10 IDEE C=CCOC[C@H](NC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1155779221 IIJXDFJKJDUJOO-SPEDKVCISA-N 434.489 1.663 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 1156560084 FOAIFLPCWSNNPJ-SFHVURJKSA-N 447.948 1.610 30 10 IDEE COCCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nn1 1160153255 YRGLHZBAIWDJER-CQSZACIVSA-N 429.864 1.696 30 10 IDEE C=CCOc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1OC 1161587342 OZUOOJVCVQGPEC-OAHLLOKOSA-N 425.503 1.841 30 10 IDEE C=C[C@H](CO)NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1167654467 FQZNYPPXCRTAOH-OGHNNQOOSA-N 445.969 1.398 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1171471102 VRYKVYXRWUVUEB-MRXNPFEDSA-N 440.518 1.530 30 10 IDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1235528809 HYFBPNOPHZKBEZ-HXUWFJFHSA-N 445.589 1.862 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1286324006 NHTNRKOWCMUBBL-ROUUACIJSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1286385953 RQKYGDYXODXCRS-MRXNPFEDSA-N 431.566 1.394 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286509126 VTHDNIBPVBSORB-CSODHUTKSA-N 433.578 1.540 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1286569026 ZXXMVDYICMXCTG-AVRDEDQJSA-N 436.516 1.988 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286706353 NHEVQKIDMAZYAN-ULQDDVLXSA-N 426.587 1.154 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCCCCC2)CC1 1286786469 SXQBZPGMBVOXKT-IBGZPJMESA-N 443.596 1.624 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286962758 GJLITGHJORNCDR-CRAIPNDOSA-N 427.534 1.837 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1288302837 SOBSPNWOQPOEIM-JOCHJYFZSA-N 439.520 1.601 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1288987867 HHAXSJLNQORYPG-IBGZPJMESA-N 435.575 1.610 30 10 IDEE CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1294403171 FUVGUOMELGAEET-QGZVFWFLSA-N 425.493 1.581 30 10 IDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300353667 MNSGKFJGBJBASQ-UHFFFAOYSA-N 432.532 1.908 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300363375 YIQMJFPVQLNZAB-SFHVURJKSA-N 436.564 1.923 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC(C)C 1300584057 OUOKUYCIBDBHIW-UHFFFAOYSA-N 449.527 1.938 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1300990283 URRAWBBHCMZTTK-GOSISDBHSA-N 448.593 1.890 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301148473 OYXHMHPHNUKWAW-NYHFZMIOSA-N 443.552 1.646 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1301425256 FLFSFVPJFBITAQ-XMSQKQJNSA-N 433.553 1.768 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301588791 JLGSREIPJAYXCU-PKOBYXMFSA-N 448.593 1.923 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1F 1301610593 RVZGIPTZZDNUSF-CABCVRRESA-N 443.497 1.000 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1302469559 KISKPBJALYIZAZ-UHFFFAOYSA-N 445.545 1.495 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1302502237 FXVZMTYUGKINSQ-MBSDFSHPSA-N 438.532 1.947 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)c1cc[nH]n1 1303315637 CGTXEMUCVXTPCX-UHFFFAOYSA-N 435.868 1.812 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1314886718 VCSMRYJKJFOSAE-MRXNPFEDSA-N 430.534 1.212 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358955919 WFJGSGFDLAECKM-ZWKOTPCHSA-N 437.610 1.171 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1358986207 QEKMWQBHXNRSSQ-OAQYLSRUSA-N 434.562 1.218 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCNC(=O)C(C)C)CC1 1359030651 ARCMMYZXPXMETC-HSZRJFAPSA-N 446.596 1.236 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnccc2OC)CC1 1359030805 GKRKXAREHHCKEB-QFIPXVFZSA-N 426.521 1.137 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2nncn2-c2ccccc2)CC1 1359040667 CZZGIMFQILWKOC-UHFFFAOYSA-N 432.532 1.996 30 10 IDEE C=CCCOCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359229569 MVDFWSCWRVBKCE-YCRNBWNJSA-N 447.580 1.968 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1359265409 FATOWFZAQSIQHV-UXHICEINSA-N 443.596 1.596 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1359276380 AWZWGZLQSFOPGU-UHFFFAOYSA-N 437.504 1.812 30 10 IDEE Cn1c(=O)c2cc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)cnc2n(C)c1=O 1440760643 WJRSIXUKRSIFCT-UHFFFAOYSA-N 441.488 1.221 30 10 IDEE C#C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1452474364 HILPRIUBFNMQIJ-ZWKOTPCHSA-N 431.558 1.942 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3nn(-c4ccccc4C(F)(F)F)cc3O)C2)c(=O)nc1O 1457197435 FXQBYFZOAZBFIC-UHFFFAOYSA-N 446.345 1.428 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1 1466192085 UFVCVJLGDOZIOP-UHFFFAOYSA-N 444.536 1.916 30 10 IDEE COc1ncc(NC(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)cc1C#N 1471781019 IDTNYOVXPZKMNN-UHFFFAOYSA-N 431.518 1.753 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1503228619 OYRMROZDNDZGOH-UGKGYDQZSA-N 427.505 1.600 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1505148880 CIDOVDZLDQEDTL-DRKIFQHWSA-N 442.545 1.056 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1507561596 CKYQXWFIHAOHNJ-UHFFFAOYSA-N 445.545 1.995 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507564801 WYIXTEJRFVUCBT-OTWHNJEPSA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507638390 DYZURLJLMWZKGM-QGZVFWFLSA-N 432.546 1.563 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1OC 1507645279 ZDYPQPGIOASNFR-AZUAARDMSA-N 432.488 1.045 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)CC 1507661754 HEBVTTONNTUWBL-UHFFFAOYSA-N 431.338 1.987 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)nc2)CC1 1507723826 VYKYTDVFNBWJNE-LJQANCHMSA-N 436.564 1.274 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCOC[C@H]2C)CC1 1507724200 KKXWMHMGNFKNTC-LJQANCHMSA-N 426.540 1.484 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1507738486 PUXMUMDLHHWCJC-AZUAARDMSA-N 439.564 1.706 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC(O)CC1 1507761906 PPTBDVYXYLHIQP-HSZRJFAPSA-N 437.548 1.764 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507772317 OFIUFYWPDUSDCJ-WZONZLPQSA-N 436.516 1.385 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507773648 UWLZXXAGTGAZLF-YCRNBWNJSA-N 428.581 1.717 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507868678 NHQQCBFHCJZSTC-OAHLLOKOSA-N 436.969 1.956 30 10 IDEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1507928665 LOJZLPFUJNAEKY-GUDVDZBRSA-N 443.573 1.852 30 10 IDEE C=CCCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507938510 DTYXDYBRLKSDTO-SFHVURJKSA-N 438.532 1.403 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1508085396 HOFKYBBZJUREQU-QGZVFWFLSA-N 428.512 1.805 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508093605 VSEWWYLKBFIRIM-HKUYNNGSSA-N 438.532 1.491 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCS(=O)(=O)C2)C1 1508132032 PZUSTWMGYYCKGZ-QZTJIDSGSA-N 434.566 1.356 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1515676078 LDEATDRDJWXPIE-RWNPKEDZSA-N 437.504 1.872 30 10 IDEE CCN(CCC1CC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1515701178 VLUDDZDDQBQJHP-ZZEZOPTASA-N 441.536 1.667 30 10 IDEE COC(=O)c1cccc(OC)c1N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1516712649 GNJXMVUXOACEMN-UHFFFAOYSA-N 431.470 1.950 30 10 IDEE CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516961020 GOFKAMLJYTZCHY-GOSISDBHSA-N 438.536 1.591 30 10 IDEE COCC(C)(C)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1529535042 YUZNHDJLKPRFSH-GOSISDBHSA-N 427.505 1.332 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1539126594 YVJSHBNYMIUYRM-GOSISDBHSA-N 439.582 1.013 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1539178602 IWCWOHFJSNHTGJ-QGZVFWFLSA-N 436.557 1.234 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1539370341 VRDSGUJDNVFNJG-DLBZAZTESA-N 447.536 1.123 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(CC)C(C)C)CC1 1539480509 AORIRXMFOWCJBA-FQEVSTJZSA-N 430.597 1.868 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)C(=O)C1 1539615521 JQCBFAMMYKWKBT-JXFKEZNVSA-N 444.580 1.989 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1540067456 HIURJWKBTZPCJP-UHFFFAOYSA-N 444.513 1.264 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)C1 1540882207 DMFBTAXAFKNQRG-GOEBONIOSA-N 436.538 1.122 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(N)=O)C1 1540905075 RTGXJBUFFISGHB-SFHVURJKSA-N 431.562 1.480 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1543379356 ZFLOXXBOVWWWIZ-PWHSHALESA-N 428.533 1.983 30 10 IDEE CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546540949 DVVXFFOQSHRGBN-VXPUYCOJSA-N 429.569 1.925 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1554286687 HESXCYFAZNWUAY-IBGZPJMESA-N 445.545 1.945 30 10 IDEE COc1ccccc1O[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1555092969 BKNQBENDNDFUGL-OWCLPIDISA-N 426.477 1.434 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C2(CCC2)CC1 1558135963 AYPVSLWDRRLVOT-UHFFFAOYSA-N 431.493 1.603 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1568181512 ZHHRBHPBHCHQOD-MRXNPFEDSA-N 434.493 1.185 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1587679192 YBUVPIPULADRHA-SJORKVTESA-N 446.552 1.667 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1587765832 KZWYHCYKDPZWDL-IBGZPJMESA-N 436.564 1.957 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1588074175 KPAXWJZKLQZOQT-OALUTQOASA-N 443.573 1.956 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1588162050 HIXNUXPTEFEDPC-UHFFFAOYSA-N 432.528 1.912 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1588387598 VPJDRUDXAWGRQJ-INIZCTEOSA-N 439.582 1.897 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1588480643 APNCQGOIHMAXBC-LJQANCHMSA-N 441.507 1.940 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccccc2F)CC1 1588811189 CCGPESMKPCJAAW-FQEVSTJZSA-N 440.523 1.844 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2F)CC1 1588813530 YYUYCCGQZHZNAV-LJQANCHMSA-N 445.564 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCCC2=O)CC1 1588929926 JCHAEUNJRSTJRZ-LJQANCHMSA-N 442.564 1.150 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1589171544 JICJWHPNWMWEJI-FGZHOGPDSA-N 443.573 1.407 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1594963907 ZNGQIPICKPBOAQ-IBGZPJMESA-N 449.577 1.989 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1595798816 UBQFMVHGEBIZQI-GOSISDBHSA-N 434.566 1.848 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)COc1cccc(Br)c1C#N 1611093978 LNAUPSPDVALPGL-MRXNPFEDSA-N 437.338 1.758 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2Cc3ccccc3OCC2=O)cc1 1611581885 SUNGPCJXPPMWGX-UHFFFAOYSA-N 442.497 1.030 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1624628062 FHWNODLJFZWWNG-CABCVRRESA-N 431.555 1.046 30 10 IDEE N#Cc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(F)cc1F 1627092569 HBFLZKRWPZNQNT-UHFFFAOYSA-N 429.431 1.817 30 10 IDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)c1ccc(Br)cc1 1630460513 RYOJBGBFYWTRPU-OAHLLOKOSA-N 430.324 1.085 30 10 IDEE CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1631137527 FZHUXERXLKKODA-SJLPKXTDSA-N 448.545 1.543 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 1632966711 WCXCWEORBPGBAR-WMZOPIPTSA-N 440.363 1.339 30 10 IDEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1633929427 FFYNZDRXDHAANF-INIZCTEOSA-N 442.520 1.070 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CCc3c(C)nn(CCC#N)c3C)C2=O)cc1 1635977245 POMQWDVYLYZKGN-JOCHJYFZSA-N 438.488 1.853 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1637389949 OAYWBHLRCKPALN-MRXNPFEDSA-N 436.534 1.123 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)ccc1F 1637392454 UQBMIIKYCDGOGF-HNNXBMFYSA-N 436.465 1.764 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)c1 1637748360 DOLWJOVOTOMKJL-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(C(=O)OCC)cn2)cc1 1640557676 XBVLTVTYPLKWGZ-UHFFFAOYSA-N 430.486 1.012 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCO[C@]4(CCS(=O)(=O)C4)C3)c2C#N)C1 1646421132 WYSGPWDGFSZQIN-JLTOFOAXSA-N 437.587 1.963 30 10 IDEE C#CCN(C(=O)CN1CCC[C@H](C(=O)OC)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1651973749 VLJCAGLXPBTCOL-KRWDZBQOSA-N 435.521 1.259 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCCCC1 1652520923 HXPZBZLYANTDED-FTRWYGJKSA-N 425.551 1.857 30 10 IDEE C#C[C@H](NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)[C@@H]1CCCO1 1665314608 OBEPUYVKXMPWEE-HOTGVXAUSA-N 432.525 1.654 30 10 IDEE CC(C)C[C@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(=O)N1CCOCC1 1673886678 GDLMGZUUTXRCDW-IBGZPJMESA-N 431.512 1.802 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)c1 1674849393 GCFUJMMBHYYBRQ-UHFFFAOYSA-N 448.526 1.844 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Oc3ccccc3)nc2)CC1 1678308393 BFXSWDABPUBKBH-UHFFFAOYSA-N 429.502 1.169 30 10 IDEE C=C[C@@H](COC)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1680388408 CANJNNCLGBNPPW-KBPBESRZSA-N 429.258 1.675 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CC1 1681580760 NBZZFHYOOOWYJH-LXPRWKDFSA-N 427.505 1.316 30 10 IDEE C=CCN(CCc1ccco1)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1681824508 FGWDMLRXWVKCIS-UHFFFAOYSA-N 447.513 1.864 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)C2)c(=O)nc1O 1685093755 FWYSZKJFBKLEBI-UHFFFAOYSA-N 428.758 1.654 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1689910442 HAKPWSWSPMGQDW-OAHLLOKOSA-N 428.924 1.942 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1690123999 CBRNASYCQAHKFW-XUVXKRRUSA-N 449.621 1.387 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1690580550 AYZMUVNBJCBGNB-RTBURBONSA-N 441.580 1.001 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690664321 OULOVPBXRDRADR-UHFFFAOYSA-N 445.955 1.111 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1692850856 BHYLSMYOUYRPGW-KXBFYZLASA-N 434.566 1.356 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1697777162 ZMKJDTSPNTWPQY-KRWDZBQOSA-N 438.467 1.388 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CCO1 1697911941 LSAJPYUBUOEKEE-FQEVSTJZSA-N 425.489 1.927 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705508078 JAECSZNGSSSEJE-INIZCTEOSA-N 445.549 1.247 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1705583220 SNJZXRKFPRHSHN-MBSDFSHPSA-N 443.548 1.820 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705600738 KXZWCZMAZXKGIB-JOCHJYFZSA-N 426.542 1.076 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(CC)n2)CC1 1705639366 MNWSGAHWWXJZLK-MRXNPFEDSA-N 448.618 1.197 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnn(C)c2C)CC1 1705641710 PVUWKCMWDWYYDN-UHFFFAOYSA-N 433.560 1.917 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(CC)noc2C)CC1 1705644647 YETLGLNPTYWGET-UHFFFAOYSA-N 441.536 1.289 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)C(=O)C1 1705651792 HUNWCYXUMXSFIV-UHFFFAOYSA-N 425.518 1.103 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705651867 JZQRMYYCRPNPSK-QGZVFWFLSA-N 441.561 1.644 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1705924464 CYVDIJNQQNNICC-ZIAGYGMSSA-N 438.472 1.888 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705942869 HLWOWBDVEGWFDP-SFHVURJKSA-N 428.610 1.871 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1706080142 YZNVCCGJPSRLAD-SOUVJXGZSA-N 440.570 1.689 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1710238114 ASLXZPXEAPFGSN-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1712421421 BXWMMMYFIBFBCI-QFIPXVFZSA-N 439.520 1.426 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 1712465110 GUQYGVVQBRZTRT-INIZCTEOSA-N 434.504 1.375 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCS1(=O)=O 1712531554 TUXNOROULOSWSQ-MRXNPFEDSA-N 440.570 1.168 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1722359686 PNRWUWXFTVMETG-SFHVURJKSA-N 439.545 1.311 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722369084 VLPJOXPVILGDHE-MNAZLIDISA-N 433.578 1.853 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722461799 HBTAFHCPYUBJMC-ZBFHGGJFSA-N 432.575 1.935 30 10 IDEE C#CCSCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1722463788 MXNDROSNAAHOIC-QFBILLFUSA-N 442.607 1.310 30 10 IDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1 1722681558 MRHRFCGWVJTWNW-UHFFFAOYSA-N 437.552 1.873 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722700457 KBIXFCHBTJZZRA-UHFFFAOYSA-N 448.453 1.955 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1723643166 HKSOFHDCHVKTHG-UHFFFAOYSA-N 435.532 1.933 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCO[C@H]1C 1730760325 OBQZOJRWNFUCBZ-MGPUTAFESA-N 430.465 1.760 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CC=CCC1 1730870726 QSKAPHCGZQKETL-UYAOXDASSA-N 429.569 1.441 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1731183994 XQUJXZDLCPRSOS-IIBYNOLFSA-N 428.468 1.750 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1740689097 ONMLUWVVBWEDLG-OAQYLSRUSA-N 441.624 1.780 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1740693983 UEMKQYFJWOYZQD-NRFANRHFSA-N 436.608 1.369 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)N[C@@H](C)CC)CC1 1740697245 WZTFELQFHBHZFN-IBGZPJMESA-N 438.576 1.938 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740888495 TYEBPAICNAMHFH-KZNAEPCWSA-N 425.599 1.692 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccn4)n3CCCCCO)CC2)c1C#N 1742669605 OUVVJFMCJCSEDV-UHFFFAOYSA-N 449.563 1.667 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1747415172 OPJOAIKONBIIHI-FGTMMUONSA-N 442.545 1.407 30 10 IDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1747648349 VURNTQYDVAFTTB-JVMRMLDLSA-N 439.545 1.732 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1747865369 VLVAWCREASNVAF-QBNCKDSPSA-N 442.545 1.930 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1748103922 ASJLICUDQITJMU-IAGOWNOFSA-N 425.537 1.356 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1748659362 GHCXCJWLFOEARL-CQSZACIVSA-N 432.481 1.650 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1748790843 NNZGCCSDKMVWDZ-INIZCTEOSA-N 430.534 1.391 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748808572 LIWMZNRJMSKSQB-RTBURBONSA-N 427.530 1.868 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1748809695 PELMPWYSBBSFJH-UTKZUKDTSA-N 446.598 1.748 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1748824920 TYLSJQWUNKYBNW-IAGOWNOFSA-N 431.518 1.208 30 10 IDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1748898888 XILFOMQHDUMLDH-UHFFFAOYSA-N 449.646 1.852 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCN(C)C2)CC1 1748977726 AOMMKYBMGNVJOW-QFIPXVFZSA-N 446.502 1.368 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749088011 ZPCMMQBMRPVWKA-MJBXVCDLSA-N 448.387 1.802 30 10 IDEE C=C(C)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749207918 UWRYMRPRVREBLS-JOCHJYFZSA-N 433.553 1.582 30 10 IDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749579371 NJFLEJLHIDYZHX-SFHVURJKSA-N 433.582 1.600 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCn2c(nc3c2CCCC3)C1 1749651931 CACKWNRJJCCSLG-MRXNPFEDSA-N 443.552 1.400 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1749735268 QNOLMOZPQQBCLA-UHFFFAOYSA-N 429.590 1.731 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1749741224 UMOFWMNFLGTHKC-UHFFFAOYSA-N 430.582 1.493 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749744629 MKYYTTLUNXGOND-VXGBXAGGSA-N 443.517 1.575 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749753873 BKJZYAKWBMCHPB-QZTJIDSGSA-N 434.610 1.697 30 10 IDEE C#CCCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1760142544 GFLSPPDSIHSHLF-JOCHJYFZSA-N 433.553 1.417 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1760205450 BLVPSTSCAORZEK-SFHVURJKSA-N 441.557 1.874 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760227926 QBODOPPLLILXPT-LPHOPBHVSA-N 445.486 1.653 30 10 IDEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760239448 JGNCYSZGIAIOSI-FQEVSTJZSA-N 434.587 1.888 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1760262098 ZOEGSWBOJHJLQL-HXUWFJFHSA-N 436.560 1.932 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1760464287 DNQOXNZTRMKGNR-IERDGZPVSA-N 439.557 1.996 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760520501 PPWAGLOURSPFEG-FQEVSTJZSA-N 438.580 1.247 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccsc1 1760522851 ZQZRQGFJAVVOQB-HOTGVXAUSA-N 435.575 1.885 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760529173 YNHPARRRVCLKJD-HSQYWUDLSA-N 449.552 1.005 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1ccc(C#N)o1 1761495557 WIBWFYBWOYLMRD-NWDGAFQWSA-N 428.465 1.883 30 10 IDEE CCCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1764202305 YVMXQEJYDOJQGV-LJQANCHMSA-N 426.521 1.975 30 10 IDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1766563568 WUEWJFMGZOTQQX-QGZVFWFLSA-N 433.534 1.636 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1766756270 GSRBZUHWUTUITG-UHFFFAOYSA-N 442.549 1.468 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1767175040 WSIXHKLJWADONS-MSOLQXFVSA-N 435.532 1.694 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1771363624 JAYFQXDFZZZBHK-CQSZACIVSA-N 434.522 1.203 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2nccn2C(F)F)cc1 1771534474 CFPFUXXRVPZVCD-CQSZACIVSA-N 442.430 1.680 30 10 IDEE CCCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1772868977 FRIYXMCROGMQLP-FUHWJXTLSA-N 436.582 1.173 30 10 IDEE CC(C)[C@@H](C(=O)N=C1NN(c2ccc(Cl)cn2)C[C@H]1C)N1CCS(=O)(=O)CC1 1851739082 IFPFIJGWECXWQR-CJNGLKHVSA-N 427.958 1.376 30 10 IDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1851877730 MKXFXBWLRAVSJH-UHFFFAOYSA-N 435.509 1.649 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2C[C@H]2C(=O)N2CCc3ccccc32)CC1 1851938832 ZJELFFRYCLZSRL-RTWAWAEBSA-N 445.523 1.844 30 10 IDEE COCCN1C[C@@H](C(=O)OCCCc2cn3ncc(C#N)c3nc2C(F)(F)F)CC1=O 1852542285 HMOMBTQDADXBCC-ZDUSSCGKSA-N 439.394 1.590 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O 1853085519 SHWILNUEZTXHEH-NRFANRHFSA-N 435.505 1.810 30 10 IDEE C=CCC1(S(=O)(=O)N=C(NOCC(=O)N2CCOCC2)c2ccc(F)cc2)CC1 1853414940 BQHLVPIYGCTKPI-UHFFFAOYSA-N 425.482 1.391 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2cccnc2)c(C)c1 1853554899 PKAOSGCBHQPKJZ-UHFFFAOYSA-N 431.562 1.603 30 10 IDEE C=C1CCCN([C@H]2CCN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1854737854 KWGQZWHKINLILW-KRWDZBQOSA-N 431.514 1.391 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](CN(C)CCC#N)CCC2=O)cc1 1855539484 VYIHGJWUQIZWSA-KRWDZBQOSA-N 434.562 1.941 30 10 IDEE C=CCNC1=C(c2ccc(F)c(C)c2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863791366 OZFZJKJJIMARTI-UHFFFAOYSA-N 443.500 1.880 30 10 IDEE C[C@@H]1CN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCOCCO)C[C@@H](C)O1 1870349862 GNEOUGJFUONSKM-RTBURBONSA-N 441.528 1.917 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCc1cnc[nH]1 1870577451 UETIFGDNEWGRJX-UHFFFAOYSA-N 427.534 1.831 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(C(=O)c3cc4c(OC)ccc(OC)c4[nH]3)CC2)CC1=O 1872989812 UNESEKIXWFZPSL-HNNXBMFYSA-N 440.500 1.504 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccncc3Br)CC2)CC1 1889257482 IMGIDXZSVNCZGM-UHFFFAOYSA-N 435.366 1.716 30 10 IDEE CC#CCN(CC(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900620501 KZCSRINKKZTWFX-OAQYLSRUSA-N 425.526 1.735 30 10 IDEE C=CC1(NS(=O)(=O)c2nc(C)n(C)c2Br)CN(C(=O)OC(C)(C)C)C1 2075320188 RMKRDQJTDMFAJJ-UHFFFAOYSA-N 435.344 1.945 30 10 IDEE C=CCn1ncc(N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2133756385 WFXUYKDQKRAQMP-QGZVFWFLSA-N 429.315 1.976 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)C1 2213497487 IFYPWIJVXUHURY-ILXRZTDVSA-N 441.525 1.057 30 10 IDEE Cc1nc(C(=O)NOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243416213 CPKHOIBHGBBGAL-UHFFFAOYSA-N 427.332 1.937 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255543104 CGXGUOAMLAXKNB-UHFFFAOYSA-N 436.314 1.681 30 10 IDEE C=CC1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255598319 OBMYBBKSNQNEIU-UHFFFAOYSA-N 433.318 1.020 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255708860 ONPJGVXAHHUAHX-JKSUJKDBSA-N 435.330 1.678 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255817808 BHEQJNHJDJLECG-HUUCEWRRSA-N 436.314 1.536 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825781 FWCMJDASKJEXQI-GZBFAFLISA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255843077 BEFJAHWXZQGDJD-LRTDBIEQSA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 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C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337194486 MSEPDUMEDZJADF-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(N3CCC4(CC3)OCCO4)=NC(O)=C2[C@@H]1/C=C/c1ccccc1 72444397 AQWSVHHQRRDSFH-NGHLMZTLSA-N 433.468 1.962 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 254844408 JUTZGAXGVOZWTM-GJZGRUSLSA-N 428.507 1.720 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 440374672 BNTFDHRQTFVJEI-GOSISDBHSA-N 439.537 1.017 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC1CCC(C#N)CC1 441692273 UJBCSVSKESUPJU-LEOMRAHMSA-N 435.546 1.674 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CC2)c1C#N 472048513 LZFCMFNWXFIRAO-UHFFFAOYSA-N 437.483 1.411 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 482550887 CDVNUYADHLOICM-LIRRHRJNSA-N 444.488 1.281 30 10 IDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)ccc21 482552501 MCJKKFJEHFBOFJ-UHFFFAOYSA-N 431.496 1.998 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 490265502 AGHLASOWZAYRDB-RTBURBONSA-N 426.542 1.867 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 508889561 SYNLHAXQPKCGRQ-HZPDHXFCSA-N 447.565 1.633 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 541580237 YXDCYJQJCZHHNM-GOSISDBHSA-N 442.497 1.268 30 10 IDEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 549352426 ZSISGCYSKYPEDN-OAQYLSRUSA-N 440.548 1.986 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br 554810644 JSUOQXOLNZIOHJ-UHFFFAOYSA-N 448.295 1.586 30 10 IDEE COc1cc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)ccc1C#N 572213364 SUDGPJKGGUZGSX-QGZVFWFLSA-N 434.452 1.773 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O 589159325 OEPITPQBVZNYKG-UHFFFAOYSA-N 446.326 1.030 30 10 IDEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 603798590 ODCFNKYLGOTJFY-OAHLLOKOSA-N 441.534 1.563 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609257084 SBXVXZILZXRILA-UHFFFAOYSA-N 430.461 1.759 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2Cl)c(=O)n1C[C@@H]1CCCO1 611078433 FXIBMSSYNACOKM-ZDUSSCGKSA-N 438.336 1.645 30 10 IDEE CCNS(=O)(=O)c1cc(I)cc(B2OC(C)(C)C(C)(C)O2)c1 709874077 WTIVWIJHPBAGNA-UHFFFAOYSA-N 437.108 1.889 30 10 IDEE CC(C)CN(C(=O)COC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 728345081 AOTBFSKRAKUBRX-VQTJNVASSA-N 447.557 1.742 30 10 IDEE COc1ccc(CCN2C[C@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2=O)cc1OC 732650521 VMMQOELENXJGJW-MJGOQNOKSA-N 426.517 1.294 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NCCc1nc2ccccc2s1 741341394 BHQFAHFRMSQOLA-VXPUYCOJSA-N 428.470 1.415 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3ccc(=O)c4ccccc43)CC2)o1 744523665 INHMCMFCUAEYBI-UHFFFAOYSA-N 435.440 1.062 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 750429166 BHKKKCYWTXMQFC-UHFFFAOYSA-N 443.481 1.304 30 10 IDEE Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 753063359 SCVQWSMXJSSZBN-DDMHVWLISA-N 435.484 1.901 30 10 IDEE Cn1c(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nnc1C1CCC1 753726224 SETVZPQXKDZIJE-UHFFFAOYSA-N 444.561 1.998 30 10 IDEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c(=O)[nH]c21 757147140 CPCNJGSOMBEBND-RGDDUWESSA-N 432.488 1.718 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CCCCC1 760405102 KFNPMISTIDWCBV-YCPHGPKFSA-N 428.580 1.632 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NS(=O)(=O)C[C@@H](C)OC 764171267 KSGRKLBBLUIZJC-SNVBAGLBSA-N 435.296 1.579 30 10 IDEE COc1cc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)ncn1 764741250 RZXPRZRDUOQKCK-LSDHHAIUSA-N 431.497 1.076 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 786364691 GOLOTZHWYCVCQM-KRZCZQIBSA-N 445.516 1.401 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 794609840 SQHIKQCOSHTPAT-OAHLLOKOSA-N 447.520 1.324 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)NCc2cccc(C#N)c2)[C@@H]1c1cncn1C 796087078 JWDFCHGOHXKAPO-XMSQKQJNSA-N 437.500 1.841 30 10 IDEE C[C@H](C(=O)OCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)n1cnc(C#N)n1 798744349 SATQVYCWEANPSS-PBHICJAKSA-N 430.896 1.861 30 10 IDEE C[C@@H](C#N)OCCOC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 801828182 WAZCVUDTPRTPRH-NSHDSACASA-N 433.280 1.274 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1C#N 803130728 BSNHMNGGYCXEJZ-QGZVFWFLSA-N 436.512 1.720 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 809890143 UTJCJUVHFDCVFQ-IRXDYDNUSA-N 434.541 1.877 30 10 IDEE C#C[C@H](NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12)[C@@H]1CCCO1 811185519 NKTYKGGFGDUXHP-DEYBPWHFSA-N 430.504 1.763 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1CCCO1 812260318 WJWBQDXIXVCRIZ-QFIPXVFZSA-N 446.555 1.488 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)[C@@H]1CCS(=O)(=O)C1 918756409 SQCOJTPDLYPLBQ-JKSUJKDBSA-N 444.600 1.106 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Br)c(C#N)n2)[C@H]1c1nccn1C 1130040150 XTIBRUBOYAOHQU-GJZGRUSLSA-N 433.266 1.376 30 10 IDEE C=CC[S@@](=O)(=NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccccc1 1134654966 STPGCVGUUUCCFN-NDEPHWFRSA-N 437.543 1.899 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3CCN(S(=O)(=O)CC)CC3)n[nH]2)c1C 1153920247 PAKIFSYLDLNHKE-UHFFFAOYSA-N 434.566 1.868 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)=NO2)C1 1160060641 UIKFZCGCTWXINS-OAHLLOKOSA-N 427.461 1.699 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)OCC 1171439100 LNJJBEDFVJOYPW-QWHCGFSZSA-N 440.946 1.505 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1171843652 VIKOJDRSSOWPED-UHFFFAOYSA-N 438.459 1.729 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286348918 BFCDCWQPOOWSAE-RBUKOAKNSA-N 428.581 1.765 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC(F)F 1286360677 ILTFXABQGJHBQT-GFCCVEGCSA-N 443.476 1.616 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1286376069 DXXQNOALASQAQQ-FQEVSTJZSA-N 443.573 1.130 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCOCC1 1286462566 MWSBJPMNRIIZCP-UHFFFAOYSA-N 438.488 1.221 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCNc2ccccn2)CC1 1286493120 LPXWDUFCGCKXIH-IBGZPJMESA-N 437.548 1.645 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286506640 KNOYAJYNKORDSI-IAGOWNOFSA-N 441.623 1.304 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286536323 KUKPFHKEAGZRQN-CYBMUJFWSA-N 449.313 1.060 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1286557683 JWNXABUJYZZUJH-PGRDOPGGSA-N 440.548 1.540 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1286727295 OVHOZENGTIMKAD-SFHVURJKSA-N 435.550 1.485 30 10 IDEE O=C1C=COC2(CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)C1 1289362199 PFVJOFKLWGDFJV-UHFFFAOYSA-N 440.543 1.176 30 10 IDEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1291175069 ZWTQACKNLJTCAN-BUNKOAGESA-N 441.536 1.409 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1291230747 IDGFIKWSGFTMBR-RMYFCYLKSA-N 427.534 1.752 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCc1ccco1 1298283546 HCRFJYXQUXUJSK-UHFFFAOYSA-N 447.499 1.932 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 1299188699 XOVUWECIONGHLH-OAHLLOKOSA-N 445.453 1.878 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1299332478 CUBRPHKUAVFVIK-SFHVURJKSA-N 425.489 1.748 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300536286 UDZFTFJUCUDINW-NRFANRHFSA-N 433.560 1.440 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1300578288 KGLJYIINMBTOBI-JXFKEZNVSA-N 432.571 1.612 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1300815090 ZMLAWOWTCRUOGK-QTIQAUKSSA-N 439.520 1.671 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301169896 ISHBFYQDBXWSNC-UHFFFAOYSA-N 443.596 1.615 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1301349612 MDEQNOUMWSHEPO-AWEZNQCLSA-N 448.528 1.397 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1301439197 FUFWHZZATSAZQX-QHCPKHFHSA-N 448.531 1.721 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301521090 ZMRHJWXDVZLJNK-LJQANCHMSA-N 439.495 1.769 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1301695679 DJKLCQHLIVBHEV-SSEXGKCCSA-N 426.546 1.786 30 10 IDEE CC(C)Cc1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302870540 QBDHIAHASVDRFA-BVCVCMJASA-N 444.536 1.387 30 10 IDEE CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1315046893 NVIAERHTPCIMCN-RTBURBONSA-N 435.532 1.696 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)C2)CCOC1 1315268467 DBRXZGCBALCCOJ-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1315763264 BPLPLPQRROTLMQ-UHFFFAOYSA-N 439.564 1.700 30 10 IDEE CSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316470768 CGJBUQFPTIMRTL-INIZCTEOSA-N 426.550 1.855 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1358927697 GYMIJMOWDXOYJC-INIZCTEOSA-N 442.486 1.734 30 10 IDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358950563 PULVYLFKSLAOLK-OALUTQOASA-N 428.562 1.538 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C)C1=O 1359015576 YAUFTPKMECFDTR-HSZRJFAPSA-N 438.507 1.771 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@@H](C)OC)n1 1359018631 XIWHSSJMNSLURD-OAHLLOKOSA-N 432.550 1.812 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCN(C)C1 1359021736 ZLNLCMNCFDMHAD-JOCHJYFZSA-N 429.521 1.115 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 1359022844 ONCRFWIXQMEVJD-UHFFFAOYSA-N 442.545 1.358 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(C)(C)C)nc1 1359023361 IGDFBMFIIPJBAI-QGZVFWFLSA-N 426.521 1.936 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1359024056 DNYGIQLGSGDGRY-QZTJIDSGSA-N 437.610 1.387 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(NC(C)=O)c2)CC1 1359027959 BOQJOIBRRGTTCX-UHFFFAOYSA-N 435.532 1.276 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OCC)c2)CC1 1359034088 BXGQDFHSJLAGBN-UHFFFAOYSA-N 433.516 1.946 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccnc2OCC)CC1 1359040299 OPDULTAJEXESQH-PMACEKPBSA-N 440.548 1.599 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2nncn2C)CC1 1359046809 GTPLGCNYUJZMLN-UHFFFAOYSA-N 432.532 1.206 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(N2CCOCC2)CCOCC1 1436626748 FRXPOHRFURXOGE-UHFFFAOYSA-N 426.521 1.148 30 10 IDEE Cn1c(NCc2cc(Cl)cc(I)c2)c(C#N)c(=O)n(C)c1=O 1458443299 RGZQAYDDYXKVHY-UHFFFAOYSA-N 430.633 1.826 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 1460774080 TUAIAVWKJIOGDF-DEOSSOPVSA-N 439.512 1.998 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)nn1 1464237588 YQXQHBAEYCQBDQ-UHFFFAOYSA-N 429.296 1.882 30 10 IDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 1469762624 CTUZBIVMPAJLCT-UHFFFAOYSA-N 426.458 1.705 30 10 IDEE C=CCC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)C1 1471823392 WSLQHIXXKFNSAV-UHFFFAOYSA-N 446.573 1.830 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1499680548 ICAALUFJABEYPA-BKBKCADHSA-N 447.499 1.958 30 10 IDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1504808287 LLTFQPGKDRNWNM-VZCXRCSSSA-N 435.488 1.816 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1507539222 SMEAGVCAOGLPQW-QFBILLFUSA-N 447.561 1.264 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2cnnn2C)c1 1507550029 DNQUCAMBSOWBRS-UHFFFAOYSA-N 441.499 1.497 30 10 IDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1507568032 QCYDPMXXDLPDBL-DLBZAZTESA-N 446.552 1.702 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1507617360 UPZUQMKHTBZQTR-PBHICJAKSA-N 437.516 1.831 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507624539 BFXGTEOIIXWSAH-IAGOWNOFSA-N 436.509 1.565 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1507640599 UGNBJCAWUSOIER-AWEZNQCLSA-N 429.493 1.073 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1507714536 QMMMNIAUPMZHJF-IBGZPJMESA-N 436.516 1.729 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@](C)(O)CC)CC1 1507723867 XKRDTSHEONPDGE-OAQYLSRUSA-N 445.593 1.154 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)N2CCOCC2)CC1 1507728809 VHWOQSOZXDZZRO-NRFANRHFSA-N 438.576 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)O)CC1 1507735369 ULGRFFYTCAVMKP-UHFFFAOYSA-N 441.532 1.699 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccon1 1508091797 WNMTYPZNBMZNHE-UHFFFAOYSA-N 437.508 1.379 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1508421692 CBLUKFYZKDVVJB-KGLIPLIRSA-N 436.563 1.268 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)cs1 1511545422 IJKNERALYMPKPN-FCEWJHQRSA-N 445.593 1.862 30 10 IDEE CN(CCC(F)F)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1517263278 JXMUONAMNMBQMK-HNENSFHCSA-N 431.447 1.882 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C[C@@H]1C 1517702196 LCIGEAJHHFAHNT-DMPWYTOCSA-N 440.504 1.634 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1522367201 ODOCNERXUYIIAD-MRXNPFEDSA-N 427.461 1.418 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 1534105583 AVFFTKRULSNMSZ-SHUBJWRZSA-N 442.563 1.110 30 10 IDEE Cn1ncc(Br)c1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1535290966 RCDHUPFHORTKAL-CQSZACIVSA-N 445.277 1.576 30 10 IDEE N#C[C@@]12CN(C(=O)c3c(F)ccc(S(=O)(=O)CC4CC4)c3F)C[C@H]1CS(=O)(=O)C2 1538539982 PCPSLBUTXIXZKN-SGTLLEGYSA-N 444.481 1.159 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1538977058 SKAGTLLSRBRBCL-AWEZNQCLSA-N 431.566 1.483 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539101794 IPGUELRXLPIFCX-UHFFFAOYSA-N 433.516 1.403 30 10 IDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1539124238 LWHJZDYUYPMTIQ-UHFFFAOYSA-N 430.503 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCOC(C)C)CC1 1539477490 OMXSBHRXLLQIHP-UHFFFAOYSA-N 427.553 1.850 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 1539633298 YAVWYSIQRODFAO-OWSLCNJRSA-N 440.566 1.013 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)c1ccccc1 1539765863 LCENEPZMGSTTDG-CGTJXYLNSA-N 444.561 1.317 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(O)CCOC2)CC1 1539836262 QCJANAZKZXVTFX-NRFANRHFSA-N 447.561 1.503 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1540043797 IIIUFMPBWCOFNC-UHFFFAOYSA-N 442.911 1.637 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1540072232 ROZRUGQSSQMOPL-QGZVFWFLSA-N 448.568 1.874 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1540865291 ALPQXLPPEULRNJ-IBGZPJMESA-N 432.488 1.221 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC(=O)N1C 1544723299 LHRIUUZCIRBUEA-MRXNPFEDSA-N 435.532 1.790 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545868581 SSUJQQOEZVHUNN-RMYFCYLKSA-N 429.525 1.569 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(C)C)nc1 1555671710 SBPYNLRGOJMBID-AEFFLSMTSA-N 430.509 1.961 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC(O)CC2)CCO1 1555993733 QZRVBJGCUUPOGQ-KRWDZBQOSA-N 446.502 1.723 30 10 IDEE N#Cc1cn(CC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c(=O)nc1O 1557699298 JRWDBCDFKILZFK-UHFFFAOYSA-N 434.431 1.823 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1567051851 ICHOHHHJWCGEBE-UHFFFAOYSA-N 449.435 1.611 30 10 IDEE O=C(Cc1ccc(I)c(Br)c1)N[C@@H]1CCN(O)C1=O 1569561444 SKAIZVBDHPBASX-SNVBAGLBSA-N 439.047 1.703 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)C(=O)OC(C)(C)C)CC3)n[nH]2)c1C 1583308736 XBCVPRIEHVQMDL-UHFFFAOYSA-N 442.520 1.702 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1584881052 GCCCBGKFPGHBLN-HSZRJFAPSA-N 435.565 1.369 30 10 IDEE C=CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1586113469 RDTAOKUIQMAXNW-MRXNPFEDSA-N 426.535 1.308 30 10 IDEE Cc1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)ncc1C#N 1586236540 GPJKOWKPOAJLAJ-OAHLLOKOSA-N 426.454 1.838 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNC(=O)C(C)C 1587822976 IIVMLMLPDIOIIG-UHFFFAOYSA-N 431.562 1.970 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccccc2OCc2ccccc2)CC1 1588199764 YVHNTFFLHRDMJU-SEYXRHQNSA-N 439.537 1.891 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC=CCO2)CC1 1588884488 BTUTUFNNUVKNTR-LJQANCHMSA-N 442.564 1.507 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1593691495 WRCUDRSVJFKRSH-RTBURBONSA-N 434.585 1.556 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594668574 IESZIINGVMSIKR-MRXNPFEDSA-N 431.541 1.635 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595506719 KLMBGQWGVBAUFW-RDJZCZTQSA-N 443.460 1.379 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1ccccc1CC 1595530279 ZHCUITJBYQDFTK-UHFFFAOYSA-N 434.504 1.675 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1595550364 DENPECXJADXMJL-KRWDZBQOSA-N 442.495 1.072 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)C1 1595812004 KEGBMMXKCJUOFU-UHFFFAOYSA-N 444.561 1.733 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1596848864 DCPRBSLHSPWLLD-LHSJRXKWSA-N 441.561 1.876 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1611796101 SKJSSIUVDCOSTI-QBHGPPCGSA-N 430.509 1.661 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS2)c1 1620150199 GZHCCFIJYJBYQC-HZPDHXFCSA-N 433.559 1.973 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)CC1 1626966660 LDBBJDVBHLEJHO-UHFFFAOYSA-N 427.455 1.146 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1)C(=O)OC(C)(C)C 1628831247 UPSHLWOCJSADLE-MOPGFXCFSA-N 434.581 1.696 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)NCCn3cc(C#N)c(O)nc3=O)cc21 1633550047 JEHYQMQZXGRIRJ-UHFFFAOYSA-N 439.472 1.477 30 10 IDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1634491983 JKNHUNWKZZEEMZ-UHFFFAOYSA-N 436.530 1.398 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1639088520 FNHWFUZABKEQKP-UWWQBHOKSA-N 448.545 1.693 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1=O 1642858855 PKYIOTZITBSTTL-QDMKHBRRSA-N 434.493 1.258 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)C1=O 1647984152 HHUCRQCKRISYMZ-HXUWFJFHSA-N 447.491 1.890 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)C1CCN(S(=O)(=O)c3cccnc3)CC1)C2 1648291582 LJAVRCDMDFDFQU-UHFFFAOYSA-N 431.543 1.583 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1648939931 FSIZEJNWKHXUMV-UHFFFAOYSA-N 431.512 1.899 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](C)[C@@H](CO)C3)nnc12 1654744080 VOEGUTRWGIHHTJ-LSDHHAIUSA-N 427.530 1.799 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1654840923 NWVRPYIBQUDJRR-GOSISDBHSA-N 447.557 1.026 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 1671751262 PKYRTCNMKHDWEG-UHFFFAOYSA-N 427.592 1.435 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689986246 LRXDTWRXFQIZLG-KRWDZBQOSA-N 438.513 1.047 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1690082773 NSPBBIUVHCUZKO-UHFFFAOYSA-N 443.552 1.893 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCCN2CCC[C@@H]2CO)CC1 1690115811 UZQOCSKHYPOYHS-HXUWFJFHSA-N 426.565 1.839 30 10 IDEE C=C(Br)Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690234819 OLMPRQPXUQPKFZ-KDOFPFPSSA-N 442.358 1.929 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1690265442 OVMQHJGEYOKQRK-SJORKVTESA-N 441.598 1.829 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1690299080 DHAXIFPKFNVZSL-NRFANRHFSA-N 428.493 1.514 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1690358827 LOCUWEATRZVPBR-ROUUACIJSA-N 430.958 1.698 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690619950 JTYIYSNWLXRDEN-UHFFFAOYSA-N 445.524 1.668 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690664207 LFDALSHVVUSTDR-DOTOQJQBSA-N 428.924 1.958 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1690923352 SCRPXNOKLQAHFJ-UHFFFAOYSA-N 447.499 1.831 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1692541231 AOPLEEHSXGRLJL-LJQANCHMSA-N 439.520 1.030 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1692766382 UKQINZKOCGRWIP-LSDHHAIUSA-N 432.550 2.000 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1705602324 QCJMENDDVGUNPQ-UHFFFAOYSA-N 435.937 1.523 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1705633450 RFWJFNHLROOLLI-UHFFFAOYSA-N 435.620 1.975 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nncn2CC)CC1 1705634200 NCVHTKIFLIGZQG-UHFFFAOYSA-N 444.341 1.451 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCOC[C@@H]2CCOC2)CC1 1705644408 PUVOCASADKZFON-SFHVURJKSA-N 431.581 1.985 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705664551 SFLPSPSJGBCIAV-GOSISDBHSA-N 429.546 1.483 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1705693861 LMXWWGNQVNTOMO-FPCVCCKLSA-N 429.612 1.811 30 10 IDEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1705743535 ZPXLSTOZZRQTSR-LJQANCHMSA-N 431.562 1.967 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCCC1 1705883706 RRYIWMKFJMOTOK-UHFFFAOYSA-N 430.509 1.690 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1705890828 KUYDJHJPPLMPRS-HUUCEWRRSA-N 431.509 1.669 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS1 1706608166 HTWFRUXUVKALPE-OAHLLOKOSA-N 427.534 1.847 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C 1707550903 IAZRMXBFKNRIRT-MJGOQNOKSA-N 445.545 1.637 30 10 IDEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1708232997 LYAGUISEPFBTSX-HFKSAQAGSA-N 427.509 1.019 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1709850061 CICQLSJRAZCSBI-KRWDZBQOSA-N 439.520 1.347 30 10 IDEE CS[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1712734679 XTTHIWJVJXZVFF-GDBMZVCRSA-N 426.550 1.574 30 10 IDEE N#CCCN(CC1CC1)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1712887879 VUSFMMFNSIISJD-OAHLLOKOSA-N 427.534 1.678 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1722281363 YGDIHVWJASPJPK-LSDHHAIUSA-N 433.534 1.556 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1722289253 NPXWRQHNFUNBCS-KRWDZBQOSA-N 439.545 1.624 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(=O)NCC(F)F)c1 1722307606 QYASIDBELNAUPB-UHFFFAOYSA-N 430.459 1.668 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCCC2)CCOCC1 1722387115 GNQBRMATHLZZQL-SFTDATJTSA-N 441.576 1.720 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722435716 SHOKFBDEMLIRID-QGZVFWFLSA-N 429.546 1.144 30 10 IDEE C=C(C)CN(CC)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722515532 OHMDXWXFCBUFQJ-OAQYLSRUSA-N 434.562 1.852 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722522323 JGWAEMRTTGWGKP-IBGZPJMESA-N 443.596 1.718 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722608971 OXUNIKMEJZLJQY-JKSUJKDBSA-N 440.614 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722726065 YJLRZPXUFZQFMN-NRFANRHFSA-N 429.546 1.713 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722736964 OIZDVUFAFDQUBA-APWZRJJASA-N 428.555 1.145 30 10 IDEE CNC(=O)CCN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729712875 ABNPLERZKKHXAT-VXPUYCOJSA-N 429.525 1.110 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1730121785 CICLCITXFFTWLU-GHTZIAJQSA-N 440.548 1.521 30 10 IDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1730675072 XTPTZXSIWFBKHK-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1730762391 FUMXMHFOWUPXRY-RTBURBONSA-N 442.568 1.941 30 10 IDEE COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1730921740 FJGWJGDBTOJYSR-QGZVFWFLSA-N 425.555 1.363 30 10 IDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740583040 UWJPEJSHFPWHLY-UHFFFAOYSA-N 426.521 1.241 30 10 IDEE C=C(C)COCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740799746 VBTPPNRUAPLGPC-JOCHJYFZSA-N 448.568 1.517 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC(F)F)CC1 1740825945 VLCKLFCKFSOIRJ-OAHLLOKOSA-N 449.524 1.439 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1747767760 QMHJPXOBPXYAPJ-UHFFFAOYSA-N 443.533 1.248 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)N(C)C)CCO1 1748208476 BEFHODHQRABTEN-WOJBJXKFSA-N 439.564 1.744 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1748905782 JJLSDIOQSQLGHJ-MRXNPFEDSA-N 427.534 1.582 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1748983700 ZHZQAWSPDOIMTB-INIZCTEOSA-N 448.980 1.574 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nnc(C)s2)CC1 1749009151 FSPVAXRIUSNFOR-KRWDZBQOSA-N 443.577 1.541 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749038062 NOZVTXUAIJGDRT-UHFFFAOYSA-N 440.620 1.483 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749043556 IVDDRPCMQJSRMD-GJZGRUSLSA-N 427.596 1.025 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749241475 OWHYAGNTUZEHAP-AVRDEDQJSA-N 448.568 1.467 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1749401873 DZFDUFWZMJUCDT-ROUUACIJSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2ccnn2)CC1 1749658935 YVVGKCPYPLRQQP-UHFFFAOYSA-N 441.927 1.804 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1750078031 YVCSRQYKHHFUSO-BZUAXINKSA-N 431.518 1.616 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)cs1 1751783083 QJXDWOVNOFEGNS-SFHVURJKSA-N 431.566 1.475 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1752278568 LMUCRIBAEPCMRU-VQIMIIECSA-N 440.504 1.201 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760187961 MINMIDWUQPEFCU-AQNXPRMDSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1760193510 HIFATTKHKHDEOM-UHFFFAOYSA-N 427.468 1.406 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760204336 MDHZNOQXMNTSKE-UHFFFAOYSA-N 442.523 1.852 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2)CC1 1760253949 KYBGDJMQOGBTEJ-MRXNPFEDSA-N 434.541 1.025 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760272979 YRXOZCUBRNIGSB-CQSZACIVSA-N 432.516 1.856 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760273020 ZIQBIFQGIPHPCJ-JKSUJKDBSA-N 430.534 1.532 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760355313 FMINNUFKBZVKOX-CVEARBPZSA-N 433.509 1.839 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1760481285 SBVUGAKLTQMBEC-IBGZPJMESA-N 431.500 1.964 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760502227 SEXAUMNYYFYCBG-IBGZPJMESA-N 440.953 1.787 30 10 IDEE C=CCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513974 LOSYYVCMBUWQER-JOCHJYFZSA-N 443.552 1.938 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)C1 1760543090 MXMVYNYDMUFIDG-IAGOWNOFSA-N 435.550 1.809 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1761238621 UAKKANZFONZRTO-SJLPKXTDSA-N 437.504 1.198 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1762809025 HYZHJRXWVAWFDQ-NRFANRHFSA-N 428.516 1.749 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1Cc1ccc(C#N)o1 1764184008 NVERDGABEKIKJE-OAQYLSRUSA-N 441.492 1.740 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1766993607 AYGGMRZZJUMDRR-UTKZUKDTSA-N 445.545 1.921 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)OC(C)(C)C 1771189808 YCHSWZSTRUPJFU-IFXJQAMLSA-N 426.493 1.969 30 10 IDEE COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771275264 OBEXVNSEEVBCFA-HNNXBMFYSA-N 428.493 1.370 30 10 IDEE C=CCN(C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCN(C)C1=O 1848781115 FWWKEZJZRIICBC-CQSZACIVSA-N 434.345 1.907 30 10 IDEE Cc1c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nnn1-c1ccccc1F 1851259040 RCZACKHOJKMYAW-UHFFFAOYSA-N 435.463 1.961 30 10 IDEE Cc1nc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c(C#N)c(C)c1Br 1852391838 DGHGAYWWKSKFHB-UHFFFAOYSA-N 429.340 1.734 30 10 IDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCCN(C4CCSCC4)CC3)CC2=O)ccn1 1857269881 HVUAHESGXWBWPH-KRWDZBQOSA-N 427.574 1.845 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2OC)cc1 1859010991 KMXBOHUAROTLEJ-UHFFFAOYSA-N 446.481 1.481 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCCOC(C)C 1870355506 AYKYMWWYWVTCHV-UHFFFAOYSA-N 435.565 1.715 30 10 IDEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN(C)CCO 1870519807 HYUYQNLZGKMYRN-UHFFFAOYSA-N 425.570 1.774 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCCCC4)nn3)CC2)CC1 1889339040 IACREXJKACZJKX-UHFFFAOYSA-N 440.592 1.339 30 10 IDEE CN(CC(=O)Nc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1892074734 MAYIFOYOUCHPBG-UHFFFAOYSA-N 442.497 1.290 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073746531 JUNNHGMXUMCKFN-YPENRWOSSA-N 437.346 1.840 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124518740 BOWONKIULDLNEZ-SPLOXXLWSA-N 448.329 1.644 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2211762966 KIOIVUMRRVCZNS-NSHDSACASA-N 432.262 1.521 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598192 VIIDEWHRBGFPSN-GHMZBOCLSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255654317 VNDZVEFKKRBDGJ-HUUCEWRRSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255848199 XUZPSUMPFRWUGI-GJZGRUSLSA-N 436.314 1.991 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267006663 PCKMLZYBKOPBEF-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267500448 JDJRXRUEMQFLJR-GASCZTMLSA-N 446.357 1.658 30 10 IDEE C=CCC1(CO)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2287698048 CPQLYJZXIFLVMC-FQEVSTJZSA-N 438.521 1.991 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303113000 XKNJJGSDRIKJSM-ZUOKHONESA-N 425.335 1.840 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2315529341 UFDSKLOEOPYAHI-ZIAGYGMSSA-N 434.346 1.610 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)cc2C1=O 26181589 IFCCZYWCTAQSDY-UHFFFAOYSA-N 427.482 1.485 30 10 IDEE C=CCn1c(CN(CCN2CCOCC2)C(C)=O)cnc1S(=O)(=O)Cc1ccccc1 36031088 WEPCMYIGMVWPLI-UHFFFAOYSA-N 446.573 1.724 30 10 IDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(C(=O)OC)CC3)C2=O)cc1 96573474 JDSWULXXCOQPNI-HSZRJFAPSA-N 443.500 1.820 30 10 IDEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)cc1OC 253568329 LBVOLPZJXLUTPY-FYJGNVAPSA-N 433.538 1.524 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CCC1 430983292 CSJSZKDTKLMHQC-UHFFFAOYSA-N 431.521 1.626 30 10 IDEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 432194763 IXKWOEIHEPLUJK-UHFFFAOYSA-N 449.554 1.944 30 10 IDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 439866057 YUUIYPBPXHZUBU-UHFFFAOYSA-N 436.310 1.771 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 461310787 QTYPBUCNLJNKMK-UHFFFAOYSA-N 446.515 2.479 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4)[C@H]3C)CC2)c1C#N 466840789 JQQOSAKGHCKZAC-PXNSSMCTSA-N 435.532 1.621 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 471659948 SXKRWMZLCLIKDZ-UHFFFAOYSA-N 430.486 1.220 30 10 IDEE CCn1c(COc2cccnc2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 477075881 IEVIHUNUEIKBKL-UHFFFAOYSA-N 427.486 1.923 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 523860815 IETICXFTFNBBGX-MRXNPFEDSA-N 440.521 1.936 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540548698 GBXYLOMTZXARJK-NHCUHLMSSA-N 444.649 1.559 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 542069671 IFMXCFKNXAFXMX-ZFWWWQNUSA-N 447.904 1.371 30 10 IDEE CCOC(=O)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1C2CC3CC(C2)CC1C3 568890840 YYRNXNJUUKTOGG-XCWFVBJVSA-N 425.551 1.297 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 575793268 PMSQKRVXBBJOAF-GOSISDBHSA-N 436.497 1.985 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@@H]2CCCO2)c1=O 671653938 BJVNCFPFGSBGAR-INIZCTEOSA-N 426.542 1.393 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1=O 674477518 DGSXUSCYTXQDKW-CLOONOSVSA-N 444.491 1.862 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 730141087 MJOXPVCJEXHNIS-NVXWUHKLSA-N 433.578 1.519 30 10 IDEE O=C(/C=C\c1ccc(I)o1)NCCN/C(O)=C1/N=CC=CC1=O 732152405 AQJAAZXYGCXJEQ-DJXGOQNFSA-N 427.198 1.540 30 10 IDEE CC(C)OC(=O)N1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742669290 KZLJZOFLOOQRGX-AWEZNQCLSA-N 436.534 1.629 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1C#N 746921271 IFVIQTLPSZXGFY-OEMHODTASA-N 432.480 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3sccc3C#N)C2)CC1 748376150 MVMZTVGZSLHANC-UHFFFAOYSA-N 440.547 1.327 30 10 IDEE COc1c(F)cc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1S(N)(=O)=O 749532491 AMFHLBRAUYDULO-UHFFFAOYSA-N 446.504 1.681 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 751922018 LNTLNZRKZPHHDM-NVXWUHKLSA-N 433.578 1.437 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 753506697 SCRSQGMAZYHENH-INIZCTEOSA-N 430.288 1.922 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 769637453 GOVVDSXLPLREML-OAHLLOKOSA-N 446.616 1.264 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 781019602 GLXZYZXFBMBAMQ-FPOVZHCZSA-N 425.510 1.975 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCn2ccnn2)C1=O 784125741 RIZGZJQHKUAGCI-MRXNPFEDSA-N 429.506 1.394 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 806797750 ZGTNPHPHWMODSG-FQEVSTJZSA-N 429.542 1.733 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cn(CCO)nc2C2CCOCC2)C1 856675609 AYDLUYRRIINOGM-RDJZCZTQSA-N 433.509 1.258 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)sc2nc3n(c(=O)c12)CCC3 916178483 ZZYNGIMVIJVBRV-UHFFFAOYSA-N 428.495 1.844 30 10 IDEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1124649972 AYGUHJNJPPSOAJ-CYBMUJFWSA-N 433.490 1.175 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)C1 1137738858 ISYVRACXVZSKHL-GOSISDBHSA-N 447.333 1.653 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN([C@H]4CCOC4=O)CC3)C2)C1 1151969106 FTBCQRLGMROXPP-CCECRFFPSA-N 446.548 1.669 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(c3ncc(Br)cn3)C2)cc1 1152637329 HTJXCMRPPRIFIU-UHFFFAOYSA-N 435.303 1.390 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)s1 1161953811 XSDJMRJXHADIFT-UHFFFAOYSA-N 432.589 1.325 30 10 IDEE COC(=O)CCN1CC[C@H](N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1168940089 DLWYPHGWXUOZQQ-ROUUACIJSA-N 449.349 1.795 30 10 IDEE CN1CCN(C2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)CC1 1193810638 AJDOEGQABLYLJC-UHFFFAOYSA-N 427.368 1.721 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 1202497217 BJDJXVQUAQCAQI-UHFFFAOYSA-N 435.384 1.231 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2ccccc2Cn2cncn2)CC1 1213442313 GUKGXKLTTNBQTA-UHFFFAOYSA-N 426.477 1.848 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 1230514096 HFTUTKQSLYTHAF-WOJBJXKFSA-N 432.546 1.922 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1286386182 WDDAOYUQDMGADG-IRXDYDNUSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1286397155 XXRYVAWVWGJBJX-MOPGFXCFSA-N 429.546 1.898 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1286793148 TXJHMLYSBBCJOT-UHFFFAOYSA-N 431.512 1.830 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1286818062 SUYNFXOUCDHSLK-UHFFFAOYSA-N 437.953 1.803 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(C(=O)N(C)C)CCCC1 1288772996 HABOKHDEKSSYIR-HUUCEWRRSA-N 439.586 1.275 30 10 IDEE Cc1n[nH]cc1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1289165590 HVSGUWZVRGTDLL-YLJYHZDGSA-N 431.566 1.975 30 10 IDEE Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1289205157 NIVQSIWFFCDMQC-LPHOPBHVSA-N 429.458 1.158 30 10 IDEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1291077632 DSXZQDJUHHYNBE-HRAATJIYSA-N 444.561 1.449 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1298128924 ZTZYLRRVIAFDEE-FXAWDEMLSA-N 431.518 1.246 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)OC(C)(C)C 1300441253 IKDLTGCKFDZUPS-UHFFFAOYSA-N 433.534 1.943 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300498562 LTHRCJYYDGTRAQ-WMZOPIPTSA-N 434.537 1.917 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300629876 HTBNXUUXAKHUNL-GOSISDBHSA-N 435.532 1.471 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1300664023 NJFNMVJDHSKDSK-UHFFFAOYSA-N 430.534 1.404 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)NC(C)C)CC1 1300705803 CKHAFYSGWYVAHF-UHFFFAOYSA-N 444.605 1.146 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(O)c2)CC1 1300726750 PILWHTISYFEXAR-UHFFFAOYSA-N 430.512 1.984 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)OC)C1 1300756027 CDDLTRZBISTNHX-AWEZNQCLSA-N 431.518 1.762 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1300756235 JFWMFFUTEIKJCB-SJORKVTESA-N 428.566 1.645 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300845446 YIGFKUWAZBJLHU-AWEZNQCLSA-N 444.293 1.673 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301463064 LGONDEJFMRCTMS-UHFFFAOYSA-N 437.548 1.390 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)N(C)C)c2)C1 1301536736 ZIBPLMYJHAEEAJ-LJQANCHMSA-N 440.548 1.948 30 10 IDEE C=CCC1(O)CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1303790468 GFPCDIDVIOELLQ-UHFFFAOYSA-N 431.352 1.999 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@H]2CCCO2)c1 1303941783 LRIDOUQTUGXFTH-YTQUADARSA-N 434.514 1.171 30 10 IDEE N#C[C@@]12CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]1CS(=O)(=O)C2 1308101535 YNWKMZLRLBYWLA-XPTSAGLGSA-N 429.321 1.931 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C(=O)OC 1309574456 WZEVOMFTYLUILZ-ZDUSSCGKSA-N 430.269 1.383 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1313039050 FCYFKCFPMIPQAD-IBGZPJMESA-N 437.548 1.715 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1313498943 CDUPRCXSLZWNFR-LJQANCHMSA-N 441.511 1.993 30 10 IDEE CO[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1315227202 HZAKFJYMZQWRLP-MSOLQXFVSA-N 428.468 1.656 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1C[C@@H]1CCCO1 1323675996 ZPXTVLGJIWQXHZ-HNNXBMFYSA-N 446.598 1.696 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1350510486 TVHBPHMKWXWTBT-UHFFFAOYSA-N 449.529 1.407 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 1357767376 RDSOVGWOMCHRBF-VJDPLVQDSA-N 430.526 1.216 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1358880591 OZDNDIZHGCTGQM-RTBURBONSA-N 448.579 1.405 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)NCC)CC1 1358927216 QOTUFIMDIMYUGO-UHFFFAOYSA-N 446.559 1.802 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1O[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358956739 JZWHYWURWLJPAE-UXHICEINSA-N 444.557 1.738 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1358975137 DJRSIWMSULCUQM-UHFFFAOYSA-N 428.496 1.928 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1358994655 SVDLFMNNWVGKES-NHCUHLMSSA-N 439.585 1.946 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2CC(OCC)C2)CC1 1359030830 HLEMTLJPSWYQST-XPJNUEMQSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](COC)OC)CC1 1359039144 YEODHNUGPAFEMS-IBGZPJMESA-N 433.940 1.927 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C)OC)CC1 1359043630 BMYQXCONDAHBAE-OAHLLOKOSA-N 449.515 1.595 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C(=O)NC)cc1 1359306999 XOTIQYNUNVDAEC-QGZVFWFLSA-N 440.548 1.946 30 10 IDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359309074 HINZRCTUKDVPTF-UHFFFAOYSA-N 426.521 1.774 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1CCc2ccccc21 1360712944 DSBOMXZTOWIHPU-JQHSSLGASA-N 444.561 1.737 30 10 IDEE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(C(F)(F)F)cc1C=O 1456203475 AQJYTBULMGWCBK-YOEHRIQHSA-N 429.420 1.351 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)CC(=O)OC(C)(C)C 1460356477 QFWYSWUGMXHKTB-JOCHJYFZSA-N 428.489 1.152 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)CC2(C#N)CCOCC2)C1 1462719747 ICPNPLOBRWCPRX-OAHLLOKOSA-N 429.539 1.237 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1464752886 URCNWGLNPYZSOY-FQEVSTJZSA-N 434.500 1.522 30 10 IDEE C=CCOC[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)C(=O)OC 1467515459 IGMJYXJONPBAJV-BXFSZVDSSA-N 437.537 1.764 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1470618463 OUZDUWMYWCIJGE-KRWDZBQOSA-N 442.545 1.622 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(CN4CCNC4=O)CC3)ccc2c1=O 1472624854 YZCJACPWJCSGBA-UHFFFAOYSA-N 427.530 1.749 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1494544788 DPPYWTUVCHLCRG-LPHOPBHVSA-N 443.577 1.381 30 10 IDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)nn1C 1503794350 GIAUVIKVEPNCGY-UHFFFAOYSA-N 436.520 1.781 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1504403477 LHBWPMCJPNVTKR-BTYIYWSLSA-N 441.467 1.308 30 10 IDEE COCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1504833369 IRDLYJRKRSLVFD-UHFFFAOYSA-N 440.548 1.957 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCO1 1507520702 GDPXHPQZWDWYDT-AEFFLSMTSA-N 429.546 1.998 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)CC 1507533419 MLUZRSSSFAPNHT-OAHLLOKOSA-N 428.518 1.997 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1507630498 AHSCJBOOHSPGBI-HNNXBMFYSA-N 437.472 1.827 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1507630587 CQGDCZKMPYLQIP-JKSUJKDBSA-N 432.575 1.505 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507633468 DYTOPVKULGXAKW-KRWDZBQOSA-N 446.577 1.826 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)N(C)CC)CC1 1507724335 CDMRWUQURARYKO-UHFFFAOYSA-N 432.532 1.364 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1507731709 OXXHLCYDFXINKW-FGZHOGPDSA-N 443.640 1.201 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nnn(C)n2)CC1 1507734869 ARRBQAVQRFOMJK-UHFFFAOYSA-N 439.911 1.136 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1507847687 BZCPDWPJBKHEPT-RXVVDRJESA-N 431.541 1.956 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507968920 XQNLWVCMBWPOAN-HOTGVXAUSA-N 441.554 1.050 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1507998381 PNEGBPVQJHICKX-RTBURBONSA-N 427.505 1.846 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1508417133 HPLOAHKPGCPKKS-DLBZAZTESA-N 443.552 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1539430786 OEDNNRVJRCTFQG-QTEQDKRBSA-N 431.581 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N(C)C)CC1 1539484348 MDFKCBRGPFTAPQ-OAHLLOKOSA-N 429.594 1.550 30 10 IDEE C=CCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540020143 GXLGLGPXLKFHEL-JOCHJYFZSA-N 434.585 1.495 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1540034252 YTQLSBGFRKQXHJ-UHFFFAOYSA-N 449.515 1.996 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1540073443 QFRRPYAIYRRMAT-SFHVURJKSA-N 431.562 1.687 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540867088 KEUXLKDYKMWOIC-KRWDZBQOSA-N 436.516 1.893 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1547814580 QUDJVEHVHKNWPL-KIJUOZEOSA-N 443.508 1.397 30 10 IDEE COC[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555372494 BWFORLAQZVGWQC-UAFUQJIBSA-N 437.504 1.263 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1555556732 HCPJFLOEVJLFFA-ROUUACIJSA-N 442.568 1.989 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1555686685 RORANLKSFYFEKS-WMZOPIPTSA-N 447.561 1.992 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1555814763 KQSJFNADSHOURB-RHSMWYFYSA-N 434.522 1.408 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cccc(S(=O)(=O)NC[C@H]3CCCO3)c1)C2 1558676079 YICJFHOZADVYFH-CQSZACIVSA-N 446.554 1.858 30 10 IDEE C#CCC1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCOCC1 1563968069 YDXTUYHKMHFCGA-GOSISDBHSA-N 428.537 1.154 30 10 IDEE CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H]1CCN(O)C1=O 1569561876 YAYAISRLRIWITG-ZIAGYGMSSA-N 427.299 1.523 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)N2C(=O)OC(C)(C)C 1587317008 FUEDRPURNMEPMD-KFGODFMUSA-N 432.521 1.372 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1587803800 NSXANUOGXQTFOT-HDICACEKSA-N 425.537 1.884 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588070356 ZIHSCVBROGDYQB-SJORKVTESA-N 449.552 1.573 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1588166366 FFUOGMSOJOXKFK-SBUREZEXSA-N 440.548 1.901 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@H]1OC 1588218816 DEOWFNKPSZQNQD-VQIMIIECSA-N 425.489 1.520 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1588228697 KDHJKBHNPYNASS-IBGZPJMESA-N 425.558 1.757 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1589567169 AYLMGKDKSZUXMU-NSHGMRRFSA-N 427.553 1.823 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC)CC1 1595576963 DJGWVMMWIXADAH-UHFFFAOYSA-N 428.493 1.356 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1596848878 DCPRBSLHSPWLLD-SZNDQCEHSA-N 441.561 1.876 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N(C)C)c(F)c1 1611659365 QBICVNDOVNVRIE-ZIAGYGMSSA-N 437.545 1.880 30 10 IDEE C[C@](O)(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1611719923 FBNXBSSYLWLWQO-MDKPJZGXSA-N 445.545 1.207 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1618652857 BRZJDOAKXDSZTH-GOSISDBHSA-N 448.531 1.781 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C#N)CC1 1620167073 RWHACFQDISVRED-UHFFFAOYSA-N 447.517 1.475 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1623494379 HUQQYSOHLUUAOI-MRXNPFEDSA-N 444.513 1.374 30 10 IDEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1627264058 AJIGSNVWJQKFRM-MXLIYFDZSA-N 444.513 1.243 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 1630435974 FVUTXDWPIKPWAB-CQSZACIVSA-N 439.350 1.973 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1639270353 VIJJXBKWKLUZBI-QGZVFWFLSA-N 431.518 1.162 30 10 IDEE C=CCONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 1640821048 HEILCRJEVSEHBD-UHFFFAOYSA-N 436.534 1.634 30 10 IDEE CC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1C1CCN(Cc2ccccc2)CC1 1641101660 XDBYXGRRKCQAEW-NRFANRHFSA-N 435.528 1.970 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 1644209539 DSTSCCKCEOFTGT-UHFFFAOYSA-N 428.411 1.869 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC#C[C@@H]1CCCCO1 1648586623 PIAAOJUHMDSPSJ-SFHVURJKSA-N 449.573 1.324 30 10 IDEE COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1656772925 DDCHDPORIYEILW-UHFFFAOYSA-N 428.514 1.915 30 10 IDEE C#C[C@@H](NC(=O)Nc1cnn(CC(=O)NCCOC)c1)c1ccc(Br)cc1 1659677886 PUBQTWRMRCKFSE-MRXNPFEDSA-N 434.294 1.904 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H](Cn3ccccc3=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1672133347 QOVFOOGMDDWGST-WFXMLNOXSA-N 426.498 1.169 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 1676356043 BFTGBAROHBCYOP-QGZVFWFLSA-N 449.577 1.290 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NCc1ccc(C#N)c(Cl)c1 1686255752 UMYKWTIIBFSMOT-UHFFFAOYSA-N 427.892 1.786 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CF)c1 1689868578 KZZAIVHBXCONHU-UKPHBRMFSA-N 448.524 1.475 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCC(N)=O)CC1 1689882493 BSEJQWCQODMHML-UHFFFAOYSA-N 439.516 1.991 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689979818 HZOKCVWPDMBSBD-KUNJGFBQSA-N 426.608 1.504 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1689982279 KIPVTCUATUWUCZ-RXVVDRJESA-N 448.545 1.587 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1690091365 QSYVBFUHVWXPPH-KRWDZBQOSA-N 447.536 1.437 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCc3ccccc32)CC1 1690112411 XIZRLDWHDINFOY-YADARESESA-N 439.560 1.591 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1690113392 IEMMYTFQQNGFDB-XUZZJYLKSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccccc2OC)CC1 1690120150 JBYUQCFAUQDMOX-SFHVURJKSA-N 435.532 1.910 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](F)COC)CC1 1690140174 PAXVGPGVQXFLRF-SFHVURJKSA-N 429.496 1.904 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690740278 PDOXQQBRCVAUGW-GOSISDBHSA-N 444.609 1.341 30 10 IDEE CC(C)c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1691658974 RMYWDYNVOMMECT-UZYVYHOESA-N 437.504 1.663 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)n1 1693425240 ADCBFMKEDPFPRD-IIBYNOLFSA-N 430.532 1.550 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1=O 1696885686 OIMAWTXYUGEYNO-DYESRHJHSA-N 442.545 1.308 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)o1 1698488095 JSDNBEMOWWVWNM-QWHCGFSZSA-N 438.410 1.800 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCN1CCCS1(=O)=O 1705501787 OFHHSRISUQXCKH-QGZVFWFLSA-N 447.561 1.749 30 10 IDEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705517841 GPPQMKLVNWIGSU-SFHVURJKSA-N 440.935 1.473 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705564979 DPXOVKCXWHURFU-GOSISDBHSA-N 430.578 1.776 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1705570015 JMEOWIZYLRSMEZ-QGZVFWFLSA-N 445.593 1.470 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1705571023 UOEUMEWAZHPICB-ROUUACIJSA-N 444.557 1.943 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1705602954 JQMCJRNRZFPWLA-UHFFFAOYSA-N 432.550 1.174 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1705641817 VEAXTMNTWFRXRF-UHFFFAOYSA-N 434.470 1.907 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1705905519 YBMLNILFRHSZRR-UHFFFAOYSA-N 435.525 1.324 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1709850378 NAGUGGAFQFVCGL-XUVXKRRUSA-N 438.532 1.974 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1710124147 HYVNNYMHAOWQTC-YGKKUGEXSA-N 430.509 1.661 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCc2nccn2C1 1722423031 XAQMNCKAAARSMW-WMZHIEFXSA-N 442.564 1.864 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1722604038 SSOQDTULCOXRDU-MRXNPFEDSA-N 427.571 1.583 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1722609068 RLZKQVIXPKLVNB-OAHLLOKOSA-N 433.582 1.878 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1722650871 NCEVARUIQDYWBD-LSDHHAIUSA-N 447.508 1.190 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)C1 1722714751 PDVLSSRGKNEDSI-MAUKXSAKSA-N 442.495 1.580 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC(C)(C)C1 1722728663 SZJANEDPDQXFMR-HNNXBMFYSA-N 430.596 1.407 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722736268 XQQLTPAOQRVCPP-HZPDHXFCSA-N 446.529 1.953 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1723772126 JUGVIKSMGDJALU-HNNXBMFYSA-N 429.525 1.855 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCOCCN(C)C 1726641972 FSHGUPGYAHMCEB-QGZVFWFLSA-N 439.568 1.186 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1728794074 DYKMMZJYWNXFBM-RTWAWAEBSA-N 443.483 1.774 30 10 IDEE COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1730746629 GQKIBUNMIFCOQO-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1c(OC)cc(OC)cc1OC 1740598198 HXGIGUVLLIKBFH-UHFFFAOYSA-N 427.505 1.852 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1740618667 AKDHDDBQOCKDNE-DOTOQJQBSA-N 446.529 1.583 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2OC)CC1 1740705959 OWODJPQIVUZYFM-FQEVSTJZSA-N 437.544 1.999 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1740751642 NFIOLFKNWUMLKA-JQHSSLGASA-N 446.552 1.819 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1740751954 QHMNNLNBCPZMRG-QUCCMNQESA-N 434.585 1.267 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(N(C)C)CCSC2)CC1 1740833423 PHQZYMNJFJWMBE-HNAYVOBHSA-N 442.655 1.728 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1740926037 QGZHGDLBKPAGFQ-NRFANRHFSA-N 434.610 1.803 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740960746 ZHNNISVUDQRWRH-QGZVFWFLSA-N 433.557 1.058 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1741170345 HOUSJMQIZRJSHH-KRWDZBQOSA-N 443.577 1.604 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1744834528 MOVMJKYBRNSLOJ-SYPMDJANSA-N 427.509 1.380 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1748718531 KHDUJIGREJOLMN-LJQANCHMSA-N 430.578 1.833 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1748802121 LKFBWQCGZYGQEV-QGZVFWFLSA-N 447.536 1.980 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Cl)cn1 1748831283 JIOAXORKBASHKH-UHFFFAOYSA-N 442.932 1.972 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@@H]2C)CC1 1749917387 GFIVHUOROAUKIB-FXAWDEMLSA-N 437.548 1.357 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1750961099 SFFPWNQBQSOENG-UHFFFAOYSA-N 427.509 1.624 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC2CCCCC2)CCOC1 1751025857 JLWRLFAEGRVCBU-AVRDEDQJSA-N 446.552 1.496 30 10 IDEE C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1752384743 QKJAHXFBMVYIMD-NFFVOIMASA-N 436.516 1.815 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1760313832 RAYBBWVPOKGRIO-LNLFQRSKSA-N 432.569 1.893 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1760493777 APVPNSNWAAWEMO-UHFFFAOYSA-N 443.458 1.752 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760512028 YEMJMQXDZLXPTJ-DNVCBOLYSA-N 429.594 1.809 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(F)(F)F)CC1 1760524226 SGXXURHJNKJKEX-OAHLLOKOSA-N 430.475 1.549 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N(CCO)Cc1ccc(Br)s1 1760524603 CXSSNLZXOWBPHF-UHFFFAOYSA-N 428.356 1.966 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1760698191 DJLXFLYWYVTHQO-INIZCTEOSA-N 444.561 1.643 30 10 IDEE CC(C)CC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1761056271 BIGIMYICCYRYEB-DNVCBOLYSA-N 426.587 1.815 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1768173142 YELHCPBPLOWDHL-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770923952 MYWHFZFKHUTFTO-LZICOFPGSA-N 425.493 1.283 30 10 IDEE N#CCc1ccc(NC(=O)CN2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1851783562 CAUHZRXZTRVODO-UHFFFAOYSA-N 433.456 1.096 30 10 IDEE COCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1cc(C)ccc1F 1852507614 BEGVPKOPSZPDOR-UHFFFAOYSA-N 436.451 1.485 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1Cl 1853390340 UVNWDBTYUINYGK-AWEZNQCLSA-N 440.891 1.712 30 10 IDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1855312194 NVVRFMJORYMWPU-NVXWUHKLSA-N 431.514 1.411 30 10 IDEE COc1ccc2sc(N3CC(C(=O)N4C[C@@H](CN(C)CCC#N)CC4=O)C3)nc2c1 1855725149 SKLIADOMCMLIJJ-CQSZACIVSA-N 427.530 1.962 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)CCCc2ccccc2)C1 1858328767 PXGCVTGHTOMISX-IBGZPJMESA-N 433.555 1.873 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(C(=O)O)cc2)cc1OC 1862573154 VTGBGEHLWRPUGV-GOSISDBHSA-N 427.409 1.973 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c(O)c2)cc1F 1862637568 HAFIXLOQTSVAJC-IBGZPJMESA-N 444.415 1.960 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 1867821855 PVVXMOBKOOYHKD-IRXDYDNUSA-N 441.400 1.592 30 10 IDEE CN(C(=O)CCCCCN1C(=O)c2ccccc2C1=O)C1CN(c2nccnc2C#N)C1 1891298923 AGBOONCSFJDINC-UHFFFAOYSA-N 432.484 1.852 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1896046851 HWPSLWJLAPTWGI-OWCLPIDISA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900452697 AULFIKHIGCIDJV-LLVKDONJSA-N 427.332 1.058 30 10 IDEE C=CCn1ncc(NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106079801 IXUUNWPFUXZSMI-UHFFFAOYSA-N 429.315 1.976 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124520676 XIZRGEQGZWGGLV-OAQYLSRUSA-N 448.329 1.476 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124524541 TUZGMOMCVMKPGH-CRAIPNDOSA-N 448.369 1.919 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835069 FSVWDZHCWBEWQF-GFCCVEGCSA-N 441.359 1.400 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248404117 INEQHDQOMHRHNG-GFCCVEGCSA-N 438.359 1.845 30 10 IDEE Cc1cc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2248405496 RMBYWFQMVDBDCH-CQSZACIVSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255523590 IIQVIVQXAYGWFK-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255629625 YSGIRLIWYYQLSQ-ZDUSSCGKSA-N 436.362 1.918 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631501 ZSXGDAOWFOHZAX-BFHYXJOUSA-N 432.330 1.694 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255658438 DDWSOBZLYJGXDS-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255697607 CDPKUVXZMAORJV-GDBMZVCRSA-N 435.330 1.034 30 10 IDEE Cc1cc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255825774 FNZASYWXCIXIMF-KGLIPLIRSA-N 436.314 1.909 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256068040 WNTFCKBOVFERFT-CQSZACIVSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267224706 NCFVJHFLNQPEJI-IAGOWNOFSA-N 447.341 1.481 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@]1(C)CCN1C(=O)OC(C)(C)C 2267280860 RHTGPFSQBGUZMG-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE CCn1cc(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267498888 XLYYNBHRBVTKIA-ZIAGYGMSSA-N 446.357 1.797 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267519874 JTJQFXJVPGYIIV-IJEWVQPXSA-N 446.357 1.942 30 10 IDEE C=CC1(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCOCC1 2270530795 KHOOBTWGHQZQAS-MRXNPFEDSA-N 426.491 1.268 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2315420820 SFQQESDMALHTHY-UHFFFAOYSA-N 435.330 1.680 30 10 IDEE C[C@H](O)Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(O)nc(=O)n2C 2328607978 JGJNMLZZGHFALN-QMMMGPOBSA-N 437.254 1.131 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OCC)c(OC)c1 2330743726 FNKBSGPACHAXRM-UHFFFAOYSA-N 448.549 1.822 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2337179212 MYIHHUMDRDRDBE-HUUCEWRRSA-N 446.357 1.801 30 10 IDEE C[C@H](C(=O)NCCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925048 VUDUQSBQYNWFEL-GOSISDBHSA-N 426.542 1.612 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccn1 72472466 JXFNRQWTCLMDTK-CXAGYDPISA-N 430.424 1.772 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 109937327 MSWCPJKQSRNDKC-OAHLLOKOSA-N 427.486 1.263 30 10 IDEE C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 169300737 JIEVJXRUYDZFTD-RSFYPPKCSA-N 448.468 1.945 30 10 IDEE CCOc1ccccc1N1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21 254759841 RCLWSVRTJVJDSD-HIFRSBDPSA-N 426.516 1.942 30 10 IDEE C=CCN1C(=NC(=O)c2cc(OC)c(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@@H]21 254840110 DCMQEJLSFPIAEW-WFASDCNBSA-N 426.516 1.609 30 10 IDEE N#Cc1cnc(N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)cn1 302297226 OTSDJOHKMHJXBZ-UHFFFAOYSA-N 436.335 1.707 30 10 IDEE C[C@H]1CCN(c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccn2)C1 437415515 WJLUSAPRGXIXJU-KRWDZBQOSA-N 439.541 1.946 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccccc1C#N 440378596 LCKFSOWHIPQPIB-UHFFFAOYSA-N 448.504 1.328 30 10 IDEE CCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 478847198 BPFPDDNURCNVKY-MRXNPFEDSA-N 441.553 1.921 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1csc(N2CCCC2)n1 482194067 RNQOVEIKEOGBGQ-CQSZACIVSA-N 433.559 1.641 30 10 IDEE CNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 502479565 UJZVSVRXTQREMG-KRWDZBQOSA-N 430.511 1.620 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCOC)cc2C1=O 505412273 YWWXSDHHJXYHGX-FQEVSTJZSA-N 435.480 1.572 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Cc2ccccc2)C1 508965571 WQINEVQIHLADLH-RTBURBONSA-N 431.562 1.866 30 10 IDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 509010548 JUNATPUVTYZTAC-UHFFFAOYSA-N 447.547 1.403 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 514329913 QNEYJYJDXVHKDQ-HNNXBMFYSA-N 432.571 1.129 30 10 IDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c(C#N)c2N)cc1 530968599 RSQPATFXQWTHRB-IYBDPMFKSA-N 432.550 1.511 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 541225242 ILEBHPCSWPIBJT-KRWDZBQOSA-N 425.489 1.767 30 10 IDEE CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C#N)n2)CC1 549439225 AUXVEUNEIIECKR-HNNXBMFYSA-N 432.554 1.138 30 10 IDEE CCN1CCC(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 584368813 IPNLWBXZIFHFCT-FQEVSTJZSA-N 425.533 1.408 30 10 IDEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 603800651 XLHAKYQXLRARSQ-KRWDZBQOSA-N 441.553 1.515 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1C[C@@H]1CCCO1 610487213 JGFPGICRPULONB-BHYGNILZSA-N 441.553 1.833 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1=O 674477522 DGSXUSCYTXQDKW-KBMIEXCESA-N 444.491 1.862 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1-c1ccc(C(N)=O)cc1 726577286 MFHNMEAMMTZOJA-UHFFFAOYSA-N 442.500 1.813 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 727415748 ZEGJEUBKUHUXSD-UHFFFAOYSA-N 429.542 1.343 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 731861520 DUPDCZHPAAFIAR-LSDHQDQOSA-N 444.447 1.739 30 10 IDEE COCc1nc(OC)c2c(C)c(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)sc2n1 731862423 FTLKIZMORWNOBO-JQIJEIRASA-N 431.474 1.411 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)cn1 732563470 ZTIIDWHFXBRYDC-UHFFFAOYSA-N 444.520 1.113 30 10 IDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 732650596 YVNZHPDHZQVOLX-HYBUGGRVSA-N 431.496 1.806 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1 735866382 NNBLURUOZPJHPN-UHFFFAOYSA-N 431.518 1.334 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 751922294 NAEMBAUILINOCE-DOMZBBRYSA-N 439.969 1.474 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCCO2)cn1 756081116 PWYFUGYEFRYPMR-HRAATJIYSA-N 449.577 1.659 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ncn(C)n2)C1=O 768422387 RDOSNPMDWLPUIJ-HNNXBMFYSA-N 449.968 1.668 30 10 IDEE C=CCOCCn1c(-c2cnn(C)c2)csc1=NCc1ccc(S(N)(=O)=O)cc1 779740566 GMPOCPBFOAMBSH-UHFFFAOYSA-N 433.559 1.901 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2ncn(C)n2)cc1 780319652 YBIGEAQYCYETON-NVXWUHKLSA-N 443.577 1.884 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 783237133 VFNKJYZSYMDNDZ-UHFFFAOYSA-N 428.312 1.634 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(Br)c(F)cc1F 786330625 HHBMHOLPNGZHQC-BUHFOSPRSA-N 443.204 1.308 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)ccc1F 804120717 DAOVXLNKLZPQAK-INIZCTEOSA-N 446.460 1.803 30 10 IDEE Cn1cc(Br)c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1=O 1128015945 MIEPCMQQXHDHJD-MRXNPFEDSA-N 429.274 1.945 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2=O)cc1 1130215538 JWRRWDBXAZHSMN-WBVHZDCISA-N 425.466 1.262 30 10 IDEE N#C[C@@]12CN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1134055558 BEBJKDQBGXOKIJ-SVKFGRERSA-N 438.303 1.272 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NN2Cc3ccc(Br)cc3C2=O)cc1 1147873385 VNQWLVCTMUTSDL-UHFFFAOYSA-N 449.286 1.286 30 10 IDEE CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1167521214 NGRJYZGSZAVBIA-ISLYRVAYSA-N 425.420 1.892 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(O)(CN3CCCCC3)CC2)CC1 1176879163 DMGGYTYACSBJOX-HXUWFJFHSA-N 445.633 1.770 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1286353104 QVZRVNFJMRWRGU-IAGOWNOFSA-N 446.552 1.667 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1286391284 CHLPBPNJWKJNAW-HKUYNNGSSA-N 441.557 1.520 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccncc2)CC1 1286399072 XWVIZBXLJTVSNE-UHFFFAOYSA-N 448.575 1.096 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286435419 AJWDTJLXNZMTNJ-OAQYLSRUSA-N 445.545 1.156 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCNS(C)(=O)=O 1286463797 MVCZWDSZBAPQJX-UHFFFAOYSA-N 428.518 1.129 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC2(O)CCOCC2)CC1 1286492522 HTOSKAKMUKKVNM-IBGZPJMESA-N 445.564 1.417 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cc[nH]n1 1286516043 VAZFLWUWFPGOCL-YADHBBJMSA-N 441.536 1.464 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286614405 REBDCRUWUHVRPA-WWMYMODYSA-N 435.525 1.458 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286783067 FQWQQUJKWUZWGN-UHFFFAOYSA-N 445.955 1.990 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286788402 VVMIUSVTZYFUNM-MRXNPFEDSA-N 434.541 1.531 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCSC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286792730 GNZZBASLQCLZCH-LEWJYISDSA-N 435.594 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(C)cccc2C1 1286819419 JUAHMLQSUBFWDS-SFHVURJKSA-N 429.546 1.701 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286828399 MBGSKBHMRWLJMF-UHFFFAOYSA-N 442.593 1.399 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nnn(C)n2)cc1Br 1289606228 YIQKMWOEVGGYJQ-ZDUSSCGKSA-N 444.297 1.317 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(N)(=O)=O)ccc1Br 1300395811 DUFXXQBQNGPSID-UHFFFAOYSA-N 431.308 1.514 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300491894 JMFKXUVTSGAYAK-MHORFTMASA-N 444.561 1.565 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCOCC2)CC1 1300701433 SVQLLBYWWROATK-UHFFFAOYSA-N 426.540 1.486 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCOCC2)CC1 1300716377 LSNKECJUVGUZRU-QHCPKHFHSA-N 445.564 1.323 30 10 IDEE C=C(C)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300965590 SUIMFDKMAOFHQW-QHCPKHFHSA-N 447.580 1.970 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301508374 JGFMDDFPQPZCHH-NRFANRHFSA-N 430.578 1.534 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1301951545 AZNYOXDCYGTCRF-CABCVRRESA-N 444.565 1.993 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1Cc1ccc(C#N)o1 1302024072 KCOCQICIMCWXSG-HNNXBMFYSA-N 443.508 1.509 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnc2n1CCOC2 1304792158 ACXSTEKSGPNZDJ-UHFFFAOYSA-N 431.518 1.329 30 10 IDEE Cn1cc([C@H](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C2(CO)CCC2)cn1 1307800497 IERMFTIWPXFWLH-RXVVDRJESA-N 442.589 1.684 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1COCCO1 1314393797 PYCQNAJVHHOBQG-SFHVURJKSA-N 427.509 1.213 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1314510706 TWBLBCFPNDVEJE-UHFFFAOYSA-N 427.490 1.652 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1COCCO1 1316085552 BJKMIJHBBTXWQA-FQEVSTJZSA-N 437.504 1.619 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1316191356 UQTKIXVOVDLQFK-APWZRJJASA-N 439.582 1.957 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C)n1 1338123266 NQLZREKIHFMUQL-UHFFFAOYSA-N 428.518 1.368 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1342263347 PCJCVHIOXUYIBP-CABCVRRESA-N 426.491 1.413 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1358892513 AWEUIUZITVMITD-GCJKJVERSA-N 426.590 1.930 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1358961007 QCMCGZCVNPMGHK-SFHVURJKSA-N 439.545 1.631 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358968152 AFGKHARTJRHGQZ-LJQANCHMSA-N 430.512 1.640 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC=CO2)CC1 1359040083 HEVSXCJNGYOZTM-SFHVURJKSA-N 449.515 1.584 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(CC)CC)CC1 1359044217 ZVIUTVDFAKERBS-UHFFFAOYSA-N 426.569 1.376 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359061162 TXBKOHDFQUIQAX-IEBWSBKVSA-N 436.541 1.810 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359135704 LWUJEDJVGWVTHJ-KRWDZBQOSA-N 434.541 1.708 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359210187 MGEMWZAMHBGOSY-QGZVFWFLSA-N 444.561 1.871 30 10 IDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359229054 WXMYISBRWNGLKP-GOSISDBHSA-N 439.520 1.061 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1359239940 AUNKMRUMRLYMSN-HNNXBMFYSA-N 440.595 1.549 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(C)=O)CC1 1359304225 QSIMSYJYEIMCJA-UHFFFAOYSA-N 426.521 1.445 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359341996 MHGLYNYNXFDJOP-OLZOCXBDSA-N 446.499 1.653 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1360173081 LVATZTIZWXAPHG-UHFFFAOYSA-N 435.492 1.135 30 10 IDEE Nc1cn(Cc2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)nc1C(F)(F)F 1443538365 SBNBNJPVSZQAJP-MNDPQUGUSA-N 448.405 1.789 30 10 IDEE N#Cc1cn(CCC(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(=O)nc1O 1452287020 GWHAAGVZGKATQK-INIZCTEOSA-N 441.463 1.295 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1452774055 YXNJQBASTCXMDW-DIFFPNOSSA-N 446.451 1.031 30 10 IDEE CCN(CC)C(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1464896708 RSNZURSASJGQQH-UHFFFAOYSA-N 438.525 1.139 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)c1 1475751252 CTSWDHSRNSCULD-UHFFFAOYSA-N 431.518 1.354 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504694098 PORLZFWIGGDMLU-LZICOFPGSA-N 426.477 1.846 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1505038021 JAWIYPURNYMURN-ICSRJNTNSA-N 427.505 1.721 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1505130243 FFGZAJDYBDJAHA-FQEVSTJZSA-N 441.492 1.770 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1507559949 AKLHDCKPARBIRD-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nccnc2C)CC1 1507719316 NBUHJFVMHOZXHR-QHCPKHFHSA-N 439.564 1.415 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1507723599 OANDAWWDTVTSKO-NRFANRHFSA-N 434.523 1.932 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CC=C)CC1 1507740505 NEYYYRKFMYFYOQ-UHFFFAOYSA-N 426.565 1.969 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O 1511971570 PEGIYOWETLUCTG-INIZCTEOSA-N 444.561 1.699 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCS(C)(=O)=O)CCOC1 1516184998 RDOYJWSHIAMNIA-MOPGFXCFSA-N 443.545 1.587 30 10 IDEE CN(C)c1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1516994421 AADSCDOAJNOSIK-PKOBYXMFSA-N 444.561 1.218 30 10 IDEE CNC(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1517595471 QNEPSQOUPYLOSB-LSDHHAIUSA-N 435.529 1.461 30 10 IDEE COc1ccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1518154692 FDLAUVRGWBTEDG-XUTLUUPISA-N 438.488 1.707 30 10 IDEE CSCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1520426645 PEEMFFIJSHQIGZ-RHSMWYFYSA-N 446.574 1.196 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCCCO)C[C@H]1c1ccccc1 1521162176 NXVYPCXPOXNZIT-UXHICEINSA-N 438.532 1.543 30 10 IDEE Cc1c(C#N)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)nn1C 1529919557 GXHWWZAPIJXHSA-UHFFFAOYSA-N 429.506 1.309 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)cc1 1531717271 BHSORPSWEPEBGW-UHFFFAOYSA-N 439.541 1.703 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC(O)CC1 1539257634 MYEMMJPZXRRVAZ-UHFFFAOYSA-N 441.539 1.813 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539526225 LPWQRQAIMKCDAX-CQSZACIVSA-N 432.575 1.303 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CC(N)=O)C1 1540034093 WFJFHBOBBIQJFT-OAHLLOKOSA-N 430.509 1.690 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1541700919 MMMKTAHONFKHEJ-LJQANCHMSA-N 437.548 1.895 30 10 IDEE C[C@@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1541954253 FXLYSYSMZLUOJT-VBKZILBWSA-N 439.501 1.623 30 10 IDEE CC[C@@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1545503455 AQJKAAPURGUDNF-MEUCICPISA-N 429.525 1.377 30 10 IDEE CN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1552730808 AVTBEFSZMYVNET-QFIPXVFZSA-N 437.552 1.670 30 10 IDEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)CC1 1555990418 NTIMGMVYESILKQ-UHFFFAOYSA-N 425.884 1.887 30 10 IDEE C[C@H](NC(=O)[C@@H](C)N(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1559976199 MPNOYSURJFRTPK-MDOVXXIYSA-N 430.530 1.437 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCCN(CC(N)=O)CC1 1565641491 XMMQAXJARZKOCK-FQEVSTJZSA-N 441.532 1.412 30 10 IDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1569227615 FDSFYGUTRKUTHD-XHDOVSQSSA-N 435.521 1.826 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CCO2 1584241458 IAPWVXGHMHINSA-BATSVXPKSA-N 434.514 1.995 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 1584489395 SBUMSYBLBZPZQE-FQEVSTJZSA-N 442.560 1.754 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C(C)=O)CC1 1587600268 WSMFRQLCMNWFMD-KRWDZBQOSA-N 440.548 1.584 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(N)=O)C1 1587813865 WXGCSQIWZHGZIN-OAHLLOKOSA-N 429.550 1.272 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1588647325 URNWEZCLIOYLKI-QGZVFWFLSA-N 442.545 1.316 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2scnc2C)CC1 1588733485 VCOACKKXZANZIY-UHFFFAOYSA-N 429.594 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC)OC)CC1 1588890660 CXAFCQXCFOJFCN-WMZHIEFXSA-N 447.580 1.710 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1589481617 BANQYVPUVNDYJO-UFYCRDLUSA-N 444.580 1.800 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1589662823 BYZWUCRKVJDECU-JKSUJKDBSA-N 429.612 1.767 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1589662830 CACOJUQDDRLLPD-QGZVFWFLSA-N 438.529 1.596 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1595297792 XRDPIGCAYIEIQE-HNNXBMFYSA-N 425.555 1.225 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595522841 LJULFKLTOXKIFM-OAHLLOKOSA-N 439.524 1.160 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595737433 AZMZVKFNUXTLIN-PKOBYXMFSA-N 446.577 1.327 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCSC1 1595838008 IMIAOXOBBCZMFO-XHSDSOJGSA-N 430.596 1.545 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(OC)nc2OC)CCOC1 1616140193 GEWXNIJYNJBVAK-YCRPNKLZSA-N 430.509 1.987 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC[C@@H]2CCOC2)cc1 1620350388 FHUVPXALZBERTP-SFHVURJKSA-N 429.546 1.829 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)ccc21 1622300463 GWKLOFLVMZJEPT-UHFFFAOYSA-N 426.498 1.946 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)s1 1623848092 RFUZSIVDGVIEIW-UHFFFAOYSA-N 448.526 1.445 30 10 IDEE C[C@]1(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)NC(=O)NC1=O 1628791701 XCJGHBLUBNXYMU-YEJXKQKISA-N 443.891 1.401 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 1632183224 FWLCXPBWQIQBFC-FOIQADDNSA-N 429.498 1.431 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1639840613 PCJMGZJEJABRTC-OLZOCXBDSA-N 449.392 1.944 30 10 IDEE O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)N[C@H]1CCCN(O)C1=O 1641521796 SMMKLZRWTVBJPO-INIZCTEOSA-N 443.317 1.202 30 10 IDEE C#CCN(C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C1CCN(C)CC1 1645259462 NRPKXKPFJKSHQH-UHFFFAOYSA-N 432.590 1.975 30 10 IDEE Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1652520676 CGCPCMBYRDKQDM-JXFKEZNVSA-N 445.570 1.681 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)c1 1653955665 ICYKWEBITPMZFV-INIZCTEOSA-N 439.559 1.363 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1659652673 WTZPYCXLFUMQGV-QGZVFWFLSA-N 447.561 1.818 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)n1 1682496538 BZKDLANRGNSPLT-IBGZPJMESA-N 449.552 1.700 30 10 IDEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 1685166877 WVGGGXJPMMGLFL-UHFFFAOYSA-N 432.546 1.944 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1690003833 ZILMFKTVKJTZEA-PTUXOGIPSA-N 428.533 1.731 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(N2CCOCC2)CCSC1 1690057703 FVSXJTMDNKQMJF-QFIPXVFZSA-N 448.637 1.864 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C2CCCCC2)N(C)C)CC1 1690109631 YLOLLSBKFBJQPH-HXUWFJFHSA-N 429.613 1.682 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)CC(=O)NC(C)(C)C 1690726857 NUNVQSRARABJBN-UHFFFAOYSA-N 439.607 1.882 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1694328154 WPNHYWBKNAOFMM-CZAAIQMYSA-N 434.516 1.977 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1697714186 ONUXPSXIBPFRQE-SFHVURJKSA-N 438.532 1.975 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1697989025 WZESCLLSFICZJM-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1705587903 NSAVNTXZGJRZHL-SFHLNBCPSA-N 441.576 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1705589508 RFZWRQVZXSBSQL-HNNXBMFYSA-N 435.500 1.872 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)N2CCCCC2)CC1 1705649828 GGUKKTOOIMFFSS-UHFFFAOYSA-N 426.565 1.599 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNS(=O)(=O)CC)CC1 1705772534 PWTQOCAMCYZASW-UHFFFAOYSA-N 435.550 1.961 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)N2CCCC2)C1 1705924300 BUVQOFUGTBAEPN-IPMKNSEASA-N 437.610 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOCC2(CC2)C1 1705938880 LNFBUAJANJWMDU-IRXDYDNUSA-N 440.566 1.220 30 10 IDEE CC(C)c1nnc(N2CCC3(CC2)COC(=O)N3)n1CCN/C(O)=C1\N=CC=CC1=O 1706300509 KYUSAPZHBDMHIY-BMRADRMJSA-N 429.481 1.007 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1711425047 GIUVTRYAOFXRMM-SFHVURJKSA-N 448.549 1.139 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1712546693 KALRTYIFPOWVFS-RHSMWYFYSA-N 437.522 1.528 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1722291462 QQXJXLPHIGZNBQ-RDJZCZTQSA-N 429.525 1.826 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722369937 JAZTYVHDGJWDMR-MSOLQXFVSA-N 437.610 1.562 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722379792 YLZMSJWFCQCHIK-KRWDZBQOSA-N 428.504 1.309 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NCC 1722400980 HORQNLZIUIYXRH-UHFFFAOYSA-N 440.573 1.895 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722438306 VKXGPPZGYKMHKH-MOPGFXCFSA-N 440.523 1.021 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@](C)(O)CC)CC1 1722438580 ZOIMTXKROMYCHP-HSZRJFAPSA-N 438.580 1.368 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1722492480 SRHDKIOUGPCTPT-WWNBULGVSA-N 441.598 1.875 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722619437 CEISZULNNUAYRV-UHFFFAOYSA-N 429.569 1.111 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1)C1CC1 1722650795 LATNUQYZKMDEPV-WBVHZDCISA-N 425.555 1.192 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 1722695215 XCOBDYKDWHPQLZ-MRXNPFEDSA-N 440.504 1.329 30 10 IDEE CC(C)Oc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cn1 1723690343 DPZUFAANVWLNEJ-KRWDZBQOSA-N 425.493 1.360 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCOCC2)C1 1729342150 AEPKKHFZUHNVRE-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C(=O)OC(C)(C)C 1729518403 ACKJZVLDRYXQEW-XOBRGWDASA-N 435.504 1.928 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1729638675 YNEQTOYWFRIAQP-YADHBBJMSA-N 442.520 1.794 30 10 IDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1=O 1730779751 YODNTRBNBVSVOV-RTBURBONSA-N 430.553 1.797 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1740640722 UWMKSUFYAXBXMQ-MRXNPFEDSA-N 433.390 1.542 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2cccn2)CC1 1740838856 AAEOZHODVCUHNM-SFHVURJKSA-N 449.581 1.300 30 10 IDEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1)C1CC1 1740908640 FTDDZWGYGCDCFH-UHFFFAOYSA-N 427.505 1.976 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC(O)(C(F)(F)F)CC1 1740952650 KCIBJQXVEYHSOR-ZDUSSCGKSA-N 435.447 1.198 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740963469 LTKOOFUPTNAJTG-OAHLLOKOSA-N 445.549 1.046 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)NC)CC1 1740963857 ZGJNOESTGKTLHX-UHFFFAOYSA-N 441.536 1.238 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOCC2(CCC2)C1 1740992756 MXOCRYMXBCTQMF-UHFFFAOYSA-N 431.562 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1740993294 WHYFCLKYSSKUFG-MRXNPFEDSA-N 427.534 1.856 30 10 IDEE CN(C)[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCSC1 1747580875 DKQNWJQFMCFUJA-QFBILLFUSA-N 438.623 1.357 30 10 IDEE CO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C(F)(F)F 1748402754 JCOROHRFYUPOGP-WCQYABFASA-N 438.476 1.596 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1748719465 YXTKXVWVTOECMW-INIZCTEOSA-N 442.607 1.387 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748724841 JUGTXCCZMBMGQS-UHFFFAOYSA-N 438.536 1.464 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1748756840 XVLWHEVCFVNUEQ-DENIHFKCSA-N 435.576 1.666 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1748923053 RLULHOLMEDLZLU-LPHOPBHVSA-N 436.516 1.703 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C 1748959793 ZQJGPBRDYXYTPV-INIZCTEOSA-N 433.582 1.274 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749033174 ZVQQBTTUGRKTKG-GOSISDBHSA-N 429.594 1.594 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1749034219 XTUDBUZNQKUJBJ-QGZVFWFLSA-N 439.607 1.153 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749039691 ZDTISGYUNQEZCV-IBGZPJMESA-N 429.594 1.594 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749375767 HUUVSTYVYNEMOZ-HRAATJIYSA-N 444.467 1.744 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749457811 UXFMOXZAMISMQN-SFHVURJKSA-N 425.537 1.846 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749680741 PNWAAYCYJPCGNA-FQEVSTJZSA-N 449.559 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1749738194 INJAATFGIWUFBF-SFHVURJKSA-N 440.529 1.611 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnc2n1CCCCC2 1750942747 BPGPZUZFXOJNMZ-UHFFFAOYSA-N 425.541 1.913 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1751094251 GUGNXSMVLDPGNZ-LPHOPBHVSA-N 425.537 1.956 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760184994 NLDRYNSOQRVSMD-GOSISDBHSA-N 439.541 1.967 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1F 1760205568 DXMLCRVVTRSMBI-SJORKVTESA-N 430.505 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1760214113 CBWIGHOGJJQPEY-UHFFFAOYSA-N 433.390 1.815 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1760281999 UEBPIWQNFQJELE-QGZVFWFLSA-N 439.651 1.857 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1760352040 NIASYFSLFSJIQT-WMZOPIPTSA-N 441.598 1.734 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760518639 CMPONVOBDIFLOT-QQMNAOGKSA-N 436.516 1.892 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)n2)C1 1760541913 BRFPJUSOICUIFQ-MJGOQNOKSA-N 431.562 1.908 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1760549649 JHCPTBFBAGLEAX-SIKLNZKXSA-N 425.489 1.661 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1760686867 AMSIWBQGWRXRHT-QKKBWIMNSA-N 443.939 1.936 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760696786 UHXXOZHITAMIFS-XDNAFOTISA-N 436.582 1.582 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760755100 MXRLEVSNWVATSH-DNTCVELPSA-N 443.552 1.485 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1761448337 ZDEFLSFNHJINBG-VQIMIIECSA-N 447.561 1.882 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCCc1ccccc1 1762610813 HBZZRIKIPYWUHP-KRWDZBQOSA-N 445.531 1.322 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763805700 FMQFUBPAUOOBDG-UGROXHJXSA-N 444.536 1.702 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCOCC1 1766335611 IGOKPVAHCQZGIJ-UHFFFAOYSA-N 441.536 1.462 30 10 IDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)CC 1766396606 GENXTUMELCIVOY-UHFFFAOYSA-N 446.577 1.838 30 10 IDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1769226676 GVUJSHRQEFNKJX-OXJNMPFZSA-N 442.520 1.353 30 10 IDEE CNC(=O)CC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769270208 BYDHCWITISERII-VZCXRCSSSA-N 441.536 1.425 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1770360573 KHVKRYDWOFBNMG-UHFFFAOYSA-N 439.501 1.029 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1771564716 RNAXZBYTQDWYKU-ZPTIMJQQSA-N 426.399 1.449 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C(C)C)cc1 1772793254 VXOVOQQQEHKUMB-KRWDZBQOSA-N 432.454 1.753 30 10 IDEE COc1ccc(Cn2cc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)nn2)cc1 1852685680 NKBUPCPEAWCDMN-UHFFFAOYSA-N 431.396 1.819 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2cccc(F)c2)c(C)c1 1853410956 OYTPSLMJEWWXNX-UHFFFAOYSA-N 449.504 1.958 30 10 IDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2=O)cc1C#N 1853919819 VXOUNBZBQAFPRK-UHFFFAOYSA-N 433.436 1.959 30 10 IDEE CC(=O)NCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C(=O)O 1857889840 WGRHRSHAHICADC-UHFFFAOYSA-N 444.469 1.122 30 10 IDEE COCCN(CCOC)C(=O)[C@@H](C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868783502 SCEFDOVDMZATNR-AEFFLSMTSA-N 436.578 1.651 30 10 IDEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110909 NTLBPFORWHDNPO-UHFFFAOYSA-N 445.395 1.649 30 10 IDEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CSc2nnnn2C)cc1=O 1870302347 NYDLOKQYEHVSRA-UHFFFAOYSA-N 427.486 1.764 30 10 IDEE C=CCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870387601 LFIAGTBWJVERPR-UHFFFAOYSA-N 435.532 1.812 30 10 IDEE CCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874524672 AAKHPWQYKSASMZ-LPYMAVHISA-N 448.549 1.020 30 10 IDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(NCCN3CCOCC3)ncnc21 1875227866 OWZDZTHMZXTHLV-CALCHBBNSA-N 428.537 1.611 30 10 IDEE C[C@H](C#CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 1901984706 YANGIFPARMBIRF-KGLIPLIRSA-N 427.498 1.777 30 10 IDEE CC(C)(C#CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1)NC(=O)OC(C)(C)C 1993919989 VNKWZBIWANTDIB-LSDHHAIUSA-N 425.526 1.780 30 10 IDEE C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247950358 ASBIYOPLWMLQDW-INIZCTEOSA-N 432.351 1.953 30 10 IDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247951993 LGARILDKNSZZLF-UHFFFAOYSA-N 442.343 1.720 30 10 IDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247952381 MWNPKNWOHRVRSF-UHFFFAOYSA-N 434.245 1.037 30 10 IDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2248401944 PWXVHVDYHYJRTK-AWEZNQCLSA-N 440.371 1.891 30 10 IDEE Cn1nc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255623610 PHHSSAHGQOYFRU-CQSZACIVSA-N 434.346 1.706 30 10 IDEE CCc1nn(C)c(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626866 LIHWKYSQHYIOME-UONOGXRCSA-N 434.346 1.677 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255633206 XPZDRZWVDYWCJK-VNHYZAJKSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255656275 YQEGUUKTJZNKMK-UONOGXRCSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255857815 KOAOWJZUEMWUBB-XJCPWDRGSA-N 440.346 1.316 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CO1 2255953505 JTCIRBGAUYILJG-AWEZNQCLSA-N 434.298 1.972 30 10 IDEE C=C(CN(C)C(=O)Cn1cc(CNC(=O)OC(C)(C)C)nn1)B1OC(C)(C)C(C)(C)O1 2256616358 AOCPDWXRZCHWMP-UHFFFAOYSA-N 435.334 1.949 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267007840 BSXLWBFGSYFVLQ-GJZGRUSLSA-N 446.357 1.801 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(C)CN(C(=O)OC(C)(C)C)C1 2267577063 PVTGWQWXIWYQRC-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268668660 HLKRBWGQGISRGS-GOEBONIOSA-N 447.341 1.937 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2269835554 SKLPZBYWNNCKDC-OAHLLOKOSA-N 449.357 1.729 30 10 IDEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)c1 2330748036 TUCVCYAMNWYETO-UHFFFAOYSA-N 442.501 1.807 30 10 IDEE CC[C@@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(OC)c(OC)c1 16893842 WWBKIYNAZMUJRM-INIZCTEOSA-N 449.489 1.080 30 10 IDEE C=CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2c(OC)ccc(OC)c21 44359910 QHHBGUHCHYTPBF-ROHOOWMXSA-N 425.532 1.757 30 10 IDEE CCOC(=O)/C(C(=O)CS(=O)(=O)c1ccc(C)cc1)=C(\N)NC(=O)c1ccccc1 101624411 FSDFMVSUKRUNFW-VHEBQXMUSA-N 430.482 1.501 30 10 IDEE CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)[C@@H]1CC(=O)N(O)C1=O 207725919 UJORIKTZKAVMQQ-YDHLFZDLSA-N 427.498 1.400 30 10 IDEE CS(=O)(=O)CC[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 428868071 OMTNNXDQBGFCHR-ZWKOTPCHSA-N 438.619 1.746 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c1 440382599 NTXKAAXCOQGTFZ-SFHVURJKSA-N 426.538 1.963 30 10 IDEE C=CCN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1nc(C(=O)OCC)cs1 443868531 MYCCOIGPFXJZJT-RRCSTGOVSA-N 433.486 1.391 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)ccc21 471051628 ZTQWASGNRNXIQZ-LJQANCHMSA-N 438.406 1.734 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)CC2)cc1OCC 474435597 VMRWNVXOLAUVGN-UHFFFAOYSA-N 444.513 1.897 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(I)cc(C)c2C)CC1 479910369 FVTRHKQHIQXXQC-UHFFFAOYSA-N 441.313 1.968 30 10 IDEE Cn1cc(-c2nc([C@H]3COCCN3S(=O)(=O)Cc3ccc(C#N)cc3F)no2)cn1 480700063 BEWGCVOBPPWNHT-MRXNPFEDSA-N 432.437 1.384 30 10 IDEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)c1C 501503365 PCXKFKOHSLPFNG-UHFFFAOYSA-N 427.549 1.027 30 10 IDEE N#CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 525331553 XXYWANDBFOHDDP-INIZCTEOSA-N 441.351 1.270 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC[C@H](c3cccc(F)c3)N3CCOCC3)CC2)n1 546173401 QOFHDLSVKARYAM-OAQYLSRUSA-N 438.507 1.997 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccncc2OC)CC1 549698246 HGQAATCMFDDDER-OAHLLOKOSA-N 435.554 1.195 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)C[C@@H](C)O1 554972789 PJCROCYCOWYIOV-IYBDPMFKSA-N 443.529 1.162 30 10 IDEE CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@H]3CCCO3)c2=O)c1 603990125 MRSCTMYXFJTLMC-QGZVFWFLSA-N 427.526 1.127 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C#N)c2=O)c1 604002572 AXPMYIMFTVKFAQ-UHFFFAOYSA-N 430.489 1.418 30 10 IDEE COc1ccc(/C=N\Nc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1OC 606630938 SGJPWOMVSFMOPE-CFRMEGHHSA-N 448.483 1.945 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 730143021 SFLJXBSAFHLSFI-SFHVURJKSA-N 433.578 1.521 30 10 IDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)Cc1cc(C)no1 732648237 QLCAXOFYVBYUHH-KRWDZBQOSA-N 444.513 1.778 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)CCN1C1CC1 732705767 HDCCWQUTVSQSAW-GOSISDBHSA-N 443.463 1.624 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 735069193 NGELODJEYWNONN-MRXNPFEDSA-N 428.558 1.814 30 10 IDEE Cn1c(=O)c2nc(Br)n(Cc3cc(Cl)ccc3OCC#N)c2n(C)c1=O 735231236 XWTBGMMGFWWMNY-UHFFFAOYSA-N 438.669 1.800 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cccc(CS(N)(=O)=O)c1 748966181 BTHKSUXCDIJUMO-OAHLLOKOSA-N 445.497 1.976 30 10 IDEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 755025867 GRIBKZFODHKDHR-IBGZPJMESA-N 448.932 1.895 30 10 IDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC[C@H]2CCOC2)c1 756021613 CBIYIRMSXREZJG-JHBCHSCWSA-N 428.489 1.736 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(Cc3ccccc3)c2=O)c1 763437240 UPWHIVVXBUBJAI-UHFFFAOYSA-N 432.549 1.858 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765147022 ZJPFPWRXVCIVGA-CQSZACIVSA-N 433.493 1.712 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(CCOC)nn1C 769319380 PCNKCEXMEMUPCM-MRXNPFEDSA-N 433.534 1.845 30 10 IDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1)[C@H]1CCS(=O)(=O)C1 774166190 YHTJWSFIVIZKGT-AWEZNQCLSA-N 447.604 1.111 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 774261663 JHPCTJUTSRAXHI-XCRHUMRWSA-N 441.912 1.583 30 10 IDEE C=CC[C@]1(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CCCN1C(=O)OC(C)(C)C 791719760 LDKXCRXRXAABOS-ZMPRRUGASA-N 437.537 1.988 30 10 IDEE C(#CCN1CCO[C@@H](c2noc(C3CC3)n2)C1)CN1CCO[C@H](c2noc(C3CC3)n2)C1 792865433 BMLYWVZUOVIUPW-HDICACEKSA-N 440.504 1.658 30 10 IDEE C[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 795966439 BARKPJCBGGHZKT-AWEZNQCLSA-N 444.469 1.158 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1Br 797443276 SJEGTIIRASFXAS-NSHDSACASA-N 426.741 1.914 30 10 IDEE C#C[C@@H](NC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1 812936868 WKHFFRMAIOOQQE-FZKQIMNGSA-N 432.477 1.735 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 1127138154 CMZWRZPGOADVDL-BRWVUGGUSA-N 429.521 1.912 30 10 IDEE COCCNC(=O)C1(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1129646209 VTMFRVKPGZGLDG-UHFFFAOYSA-N 427.461 1.434 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1134056971 XIHMBDZDHIJURF-QFYYESIMSA-N 426.285 1.584 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H](C#N)C1 1137215011 KMTWIKUMBMAPRF-ZDUSSCGKSA-N 436.465 1.708 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1149518256 DVLISOWWKWJYQN-UVPYHEFZSA-N 437.924 1.946 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)cc1 1179342782 ZOKLVNHOJMPSOB-IBGZPJMESA-N 447.538 1.225 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@H](CO)Cc2ccc(OC)c(Br)c2)nn1 1252076291 CRUYCZMZVUXRQH-CQSZACIVSA-N 438.326 1.886 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@H]1CC 1286323956 MYCFNTGJDCJUNC-LJQANCHMSA-N 436.564 1.970 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC(N)=O 1286339431 LXSBUGKNABOYJP-HNNXBMFYSA-N 432.550 1.309 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286356231 MKCKLRCBLYNKKR-JKSUJKDBSA-N 426.546 1.740 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC(F)F 1286360679 ILTFXABQGJHBQT-LBPRGKRZSA-N 443.476 1.616 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286390693 BBRMVSXQHYDXTO-OAHLLOKOSA-N 433.500 1.666 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 1286397809 PWLYDGNBHBGOPB-UHFFFAOYSA-N 437.467 1.627 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1286400672 JDERQHJVNFQYFB-QFIPXVFZSA-N 432.488 1.027 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1286420353 OVEJJIZIGBZBNC-GOSISDBHSA-N 425.537 1.831 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(COCCOC)cc2)CC1 1286477048 NDDPJQKLELSWJI-UHFFFAOYSA-N 449.559 1.645 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([S@](C)=O)CC2)CC1 1286485559 PUNMXZWYDNRFKE-YUWQIPRYSA-N 433.622 1.863 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1286486038 GBQLUYHGCCCVEE-QMHKHESXSA-N 426.565 1.768 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1286509732 XFRPXTHSPGLDNB-HOTGVXAUSA-N 427.596 1.356 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)F 1286786835 JJLYOEFQUFIBRP-UHFFFAOYSA-N 441.508 1.632 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)ccc2C1 1286787280 FBTDRHPRGDVAGZ-MRXNPFEDSA-N 433.509 1.184 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(C)(=O)=O)C1 1286808938 OEVBBCCTTMIAJH-IBGZPJMESA-N 442.545 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CC)C1 1286817132 QEJZOGMLHRZQGG-KRWDZBQOSA-N 448.545 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286823910 ZZHPDBLEQZXSBZ-UHFFFAOYSA-N 439.582 1.746 30 10 IDEE N#C[C@]12CN(C(=O)C[C@H]3C(=O)Nc4c(Br)cccc43)C[C@H]1CS(=O)(=O)C2 1289437535 YIJQJULBMLYCTQ-GSDQYQHOSA-N 438.303 1.272 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1291175392 FVFFVILPUDUNTR-INIZCTEOSA-N 433.534 1.636 30 10 IDEE CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1296174175 PFVMIEZRDHWSGF-SAZZCXPWSA-N 429.525 1.186 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300492056 LJORJFWQZRRLBZ-QGZVFWFLSA-N 433.578 1.479 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300502876 ZBAWLZGSHLTTNF-RBUKOAKNSA-N 429.546 1.317 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1300671912 RJIGGVXJZDDYBT-SFHVURJKSA-N 434.518 1.311 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(F)ccc2F)CC1 1300722458 JZQZYYWKPHGSFF-GOSISDBHSA-N 442.470 1.522 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300845447 YIGFKUWAZBJLHU-CQSZACIVSA-N 444.293 1.673 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)CC1 1300862690 CFNVBQKKHMARJU-VQTJNVASSA-N 446.596 1.654 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1300992443 ZNRLHFGFZWXORI-HUUCEWRRSA-N 430.475 1.895 30 10 IDEE Cn1c(Cc2cccs2)nc2cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)ccc21 1301213471 PZHDJEYQOOQIGY-UHFFFAOYSA-N 434.481 1.790 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1301458627 DDJJAZPQEIVICW-GOSISDBHSA-N 435.594 1.841 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301520446 HBOVTLNDNKYWSE-IXDOHACOSA-N 446.552 1.735 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1301965510 LGFRQDTWRNOINR-CQSZACIVSA-N 436.538 1.817 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1302164978 DGFNGEMOKFBISD-GAJHUEQPSA-N 441.532 1.988 30 10 IDEE C=CCCC[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1303686021 MHLKZLHFXUHMBU-CABCVRRESA-N 432.539 1.425 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1 1303754787 BQDRMMGRUHGQFJ-MRCUWXFGSA-N 440.891 1.781 30 10 IDEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1303759633 CPWGPJWLDRJJPG-HNNXBMFYSA-N 439.520 1.914 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1304843775 ZJYAHFLPJGSADE-CPUCHLNUSA-N 434.880 1.130 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1305629535 UHVXZWNJFZOLLP-HJPURHCSSA-N 435.532 1.838 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)C1 1320324362 CCMFVEFTSKRWLL-KRWDZBQOSA-N 433.553 1.884 30 10 IDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)[C@@]4(C#N)CCCOC4)CC3)cccc2c1 1353390797 BRCZSBFEXXFVCH-OAQYLSRUSA-N 428.514 1.697 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1358871644 IMJSERRDCLRUBQ-HZPDHXFCSA-N 444.561 1.521 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1358920430 YVLLKNVJCPPOBR-ZIAGYGMSSA-N 436.504 1.375 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1359009219 KPVVOWDDYBTXOQ-QGZVFWFLSA-N 425.518 1.269 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1359053629 SLCLWGAFFPGJKS-UHFFFAOYSA-N 442.589 1.530 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(CC)c1 1359300386 ARVNBEXQFHTRIA-LJQANCHMSA-N 437.504 1.946 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1359331934 KWDZHTHKABHPRL-KRWDZBQOSA-N 428.518 1.338 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(C)(=O)=O)C1 1360783246 GJIVCJPQWCUIPC-FQEVSTJZSA-N 431.518 1.891 30 10 IDEE CN1CCC(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)CC1 1443740957 HZOMTQDTZNDGKL-SJORKVTESA-N 429.952 1.849 30 10 IDEE N#Cc1c(F)cc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F 1448183723 DSKKWMAKOSCFJP-UHFFFAOYSA-N 437.424 1.592 30 10 IDEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CCCc2ccccc21 1456267973 OFJORTZFJMXHFZ-HRAATJIYSA-N 439.537 1.992 30 10 IDEE N#CCCCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c2ccccc21 1456731638 PNZLXXKTSWPCKG-BXFSZVDSSA-N 442.541 1.886 30 10 IDEE COc1ccc2c(c1)C(=O)N(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)C2=O 1459168915 YWQRHFPJCZLTFE-HXUWFJFHSA-N 436.443 1.839 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nn1 1463748140 QUYATZZCDSTDDB-UHFFFAOYSA-N 435.506 1.018 30 10 IDEE C#CCN1CCCN(C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1465278443 LAPLEQYXYUPQLZ-PZJWPPBQSA-N 433.574 1.101 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1468118597 VEZIOMSZXJWRNF-JKSUJKDBSA-N 448.520 1.459 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1470960555 YTYGYDLSYHEDKV-MSOLQXFVSA-N 436.553 1.668 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1470993169 BQJXAWYIBNQELC-OAHLLOKOSA-N 430.933 1.219 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1503414718 HMMBQCUJLPTAMD-SFHVURJKSA-N 425.518 1.416 30 10 IDEE COCc1nocc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1504659241 NWZNUMBRWGLZFY-AWEZNQCLSA-N 434.522 1.493 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1507574515 OKIRDURSQAHFID-HZPDHXFCSA-N 446.581 1.223 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCNS(=O)(=O)Cc1ccon1 1507609225 QIBIHWGNKPCYFI-UHFFFAOYSA-N 428.518 1.685 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507628846 INBDCYSJPNPSKE-UULLZXFKSA-N 432.571 1.483 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507632044 INNLIOQRXWBOIT-QWHCGFSZSA-N 433.456 1.198 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1507680031 VWJRROZBNAQYNW-LSDHHAIUSA-N 442.586 1.603 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2COCCO2)CC1 1507723060 SLGCJOLGEYILQT-LJQANCHMSA-N 441.532 1.523 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1507723841 WHPLTMSRWQYOPC-XLIONFOSSA-N 438.532 1.461 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1507723842 WHPLTMSRWQYOPC-YLJYHZDGSA-N 438.532 1.461 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)CC1 1507731807 POIRJJYZXPKMSZ-MRXNPFEDSA-N 435.500 1.262 30 10 IDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCOC1 1508021122 RMFPNBZGLKKNGB-JOCHJYFZSA-N 425.537 1.782 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508095336 WLBVRMOUMJOKEJ-NRFANRHFSA-N 444.467 1.329 30 10 IDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)COCCO1 1510343421 DOMHQRCODQWPLN-NRFANRHFSA-N 445.545 1.636 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1515971780 HHASWLINHRUPMU-NHCUHLMSSA-N 436.532 1.923 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(N2CCOCC2)CC1 1519263527 VDZAJRPAUDIVEC-GOSISDBHSA-N 432.569 1.997 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)COC)c1 1539037682 IFFIWDKGKGFRCG-INIZCTEOSA-N 426.521 1.755 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(SC)CCN(C)CC1 1539237615 HBJFFQWVECSTSF-QFIPXVFZSA-N 431.606 1.830 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1539318469 RPGQNPARVJGLKQ-QGZVFWFLSA-N 437.500 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)NC)CC1 1539488569 MBQHWNQIELERPA-UHFFFAOYSA-N 438.532 1.267 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)OCO3)CC1 1539489242 JOCXKDYQYPWRQD-UHFFFAOYSA-N 425.489 1.557 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)CCOC 1539548202 HOGOQLVGJQPDBO-HSZRJFAPSA-N 449.563 1.881 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539626185 BHRZJGBDWQPCPR-PXNSSMCTSA-N 427.553 1.465 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OCC)CCOC1 1539931916 SJSPMQREFFMTDF-QFIPXVFZSA-N 435.569 1.828 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1539968143 WZEVILJKPGHLKS-QZTJIDSGSA-N 440.614 1.498 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CCS(=O)(=O)C1 1540747437 AQRKQFRLRFQWGD-MAUKXSAKSA-N 433.530 1.943 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540866592 SMWIXLGAMHXWGA-HXUWFJFHSA-N 432.887 1.899 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1540905066 RLSGHLKHHUMOEF-NRFANRHFSA-N 449.552 1.571 30 10 IDEE COc1ccc(COCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1554953576 RPPJZPAGRYIMGL-ROUUACIJSA-N 426.477 1.183 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1555801987 URYNHDKVYWHQBY-UHFFFAOYSA-N 430.534 1.358 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1556286887 CLODHJVEUYAMFG-WCCYLALTSA-N 448.564 1.869 30 10 IDEE CN(C)CCn1c(O)nc2ccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 1556457754 PAPUDYJNNVZQDV-FQEVSTJZSA-N 446.511 1.706 30 10 IDEE CC[C@H](CN1CCOCC1)NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1565374413 CHBICUHPFFKRTR-GOSISDBHSA-N 439.564 1.977 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 1569241195 RBCALKZFTXLIED-MRXNPFEDSA-N 427.482 1.015 30 10 IDEE COC(=O)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1cccc(OC)c1 1584634037 SJOJKTUGCYQLPQ-SFHVURJKSA-N 431.470 1.450 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[S@](=O)CC)c1 1587693493 TWUNFBCIJOFGHK-WTPASJBYSA-N 443.573 1.997 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1588040562 OKKLKTAVDYELCY-KXBFYZLASA-N 436.559 1.341 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588058769 BZZGQRQSNBUBBW-SFHVURJKSA-N 442.520 1.417 30 10 IDEE C#CCN(c1nnc(CC)n1CCn1c(O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588058992 HBTRWIKQSVEPCD-HNNXBMFYSA-N 428.518 1.223 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNc1nccc(C(F)(F)F)n1 1588073700 BRGLGHWMJODDBF-UHFFFAOYSA-N 434.426 1.410 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1588128775 SCMROEVUQIDQPN-QGZVFWFLSA-N 437.500 1.571 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1588128961 WBVSDVBOHJXGPS-GOSISDBHSA-N 443.511 1.925 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1588452250 OQMQQNGOKKJYJA-MRCUWXFGSA-N 438.463 1.982 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1593740745 DRMPIRTVKUWQNY-QGZVFWFLSA-N 429.500 1.683 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1594783773 IDKDLXGMFKUEFR-UHFFFAOYSA-N 447.584 1.737 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1594961602 CTTLMDYYHYABJX-KRWDZBQOSA-N 446.577 1.750 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 1595879003 TYXFXXKRTUQCDO-MRXNPFEDSA-N 428.566 1.573 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 1596375495 KDOJCFRNYYNKDU-HNNXBMFYSA-N 432.278 1.799 30 10 IDEE N#Cc1ncc(N2CCN(C(=O)c3ccccc3I)CC2)nc1C#N 1611839907 PYRRQUKZMKNRFN-UHFFFAOYSA-N 444.236 1.787 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)cc1C 1612108791 SVDQMOASSIWLGF-SFHVURJKSA-N 444.561 1.992 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613239818 IVXBHNDMYYMWOJ-AYAKEVCGSA-N 443.552 1.765 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)c1OC 1616488141 MRHZYOLBEMKJFL-DYVFJYSZSA-N 433.486 1.358 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCOCC3)n2Cc2ccc(C#N)o2)c1 1617705611 BMJQKVMKFMOYSG-UHFFFAOYSA-N 442.501 1.545 30 10 IDEE N#C[C@]12CN(C(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1618172044 XXUCRHXSTCYPOI-UHOSZYNNSA-N 441.475 1.838 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1620510772 GUGJRAWDNMAIFA-MRXNPFEDSA-N 427.505 1.745 30 10 IDEE C=CC(C)(C)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1627453000 NBYUMBOZARHXHF-HNNXBMFYSA-N 436.983 1.750 30 10 IDEE CS(=O)(=O)N1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1629488965 FXHDFZZIDLCORQ-UHFFFAOYSA-N 441.351 1.297 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(NC3CCOCC3)CC2)ccc1F 1632945857 PUJOWOOYPIEYLU-UHFFFAOYSA-N 425.526 1.663 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1Cc2cnccc2NC1=O 1633556965 ZYIDSDNPTCZWGC-KRWDZBQOSA-N 441.513 1.360 30 10 IDEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cccc1N1C(=O)CNC1=O 1634746930 OCIIQEXYYVXNIO-UHFFFAOYSA-N 430.417 1.740 30 10 IDEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1635334646 RDIJJAGQPAQJLT-UHFFFAOYSA-N 427.523 1.911 30 10 IDEE COc1ccc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1S(N)(=O)=O 1635835642 LTHNJMFIRAQMOS-SFHVURJKSA-N 430.486 1.497 30 10 IDEE C=CCOC[C@@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)C(=O)OC 1639555398 JMQKRJQYCGMISH-GFCCVEGCSA-N 437.543 1.979 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 1639611703 GMSUQYGUCPXTEQ-HOTGVXAUSA-N 436.534 1.645 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(NC3CCOCC3)CC2)CC1 1644488464 BFOZFNNBEYCYBT-FQEVSTJZSA-N 431.606 1.690 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1646449919 HUBDBGIQGDPXHW-SFHVURJKSA-N 429.498 1.701 30 10 IDEE Cc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1C#N 1653664738 NXKGXEYSRJAELD-UHFFFAOYSA-N 426.498 1.704 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H](C)COC 1654211769 WYHRBFAZNRSYGJ-OAHLLOKOSA-N 431.505 1.321 30 10 IDEE COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)c1 1655357470 CVFLQOGHIUBCCE-UHFFFAOYSA-N 439.491 1.925 30 10 IDEE COc1ccc(C[C@H](CO)CNC(=O)NCCn2cnc(C#N)n2)cc1Br 1680972745 FYFALPAHRYSAFN-ZDUSSCGKSA-N 437.298 1.071 30 10 IDEE CC(C)Oc1ccc([C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C)C)cc1 1683064942 SNLKUEQORLUYSI-FBBABVLZSA-N 434.562 1.656 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC1CC1 1689841514 IFEUVQLKEOEDEL-OAHLLOKOSA-N 430.530 1.999 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1689873519 MHHUVWLOHKNKTO-UHFFFAOYSA-N 428.581 1.866 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CC(OCC)C2)CC1 1690136577 HHYLJXXCFIUJHA-UHFFFAOYSA-N 444.580 1.587 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690170206 BRAOJLLGIRXVLI-JKSUJKDBSA-N 429.550 1.746 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1690565626 NZDOHMOYVRJUIL-LJQANCHMSA-N 443.573 1.899 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1690670086 YQHXSXCXQJPZCR-JIFYINTFSA-N 444.561 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1690724306 LRVQSCMHUYAIQV-ROUUACIJSA-N 437.610 1.693 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CC2CCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692507842 WHPPTWJOAGNJFM-ZZEZOPTASA-N 443.552 1.959 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1695433157 XGRJOISCDRTVTJ-QFIPXVFZSA-N 437.504 1.764 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccnc(OCC(F)(F)F)c2)cn1 1696854140 FWULNAZZTURHED-OAHLLOKOSA-N 448.409 1.792 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1697989024 WZESCLLSFICZJM-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc1 1698299766 HZSIWTIIWSQIDL-SFHVURJKSA-N 442.545 1.811 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1698495338 OHHKZRLKEDHUSU-KDDVOAFDSA-N 425.493 1.786 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1705477194 KHBNIBGFOICABF-AVYPCKFXSA-N 436.509 1.565 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@@H]1C 1705516831 JQOYKDKFIXTLET-BBWFWOEESA-N 441.623 1.745 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1705571052 WHAWFDQTWFVOGJ-HXUWFJFHSA-N 443.573 1.216 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCCCCC2)CC1 1705652506 BURNJPQFIGGQIH-HXUWFJFHSA-N 428.581 1.971 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1705669001 YUOIJAMOEOROBP-IFXJQAMLSA-N 440.570 1.405 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1705695796 ZMAKLCHEPRVIQE-QRVBRYPASA-N 434.585 1.554 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1705885592 XUIRUQUPNYQDDJ-VQIMIIECSA-N 448.545 1.864 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1COc2ccccc2O1 1705938970 OFGYFTJYSLWSNN-INIZCTEOSA-N 430.490 1.869 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1706038499 FAQJSZYTKBGNOF-JKSUJKDBSA-N 446.533 1.046 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1706073861 RPUWIXLZEWNABQ-FPTDNZKUSA-N 434.504 1.266 30 10 IDEE CCCNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1709830356 HLIPXGBZFNIMCZ-UHFFFAOYSA-N 447.547 1.793 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722435358 HDZXHZCQLSRCDE-FQEVSTJZSA-N 436.560 1.967 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1722476575 AVJOCRXXQXFOGK-OAHLLOKOSA-N 441.374 1.483 30 10 IDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1722487282 NUBUHUDIQJVCDR-ZDUSSCGKSA-N 441.355 1.494 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(N)=O)C1 1722493724 ZHOUGEATKFKKPD-ZOBUZTSGSA-N 425.493 1.218 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COc2ccccc2)C1 1722692630 TUTKOGZTRNTLDI-SFHVURJKSA-N 438.532 1.722 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)n(C)c2=O)C1 1722709199 KUTQZWPQMODFIV-GOSISDBHSA-N 449.515 1.762 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)C1 1722712854 AOJSNPOJWZJRRL-IPMKNSEASA-N 431.585 1.037 30 10 IDEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1727076183 GYZNYWSXRXAHIW-GOSISDBHSA-N 439.564 1.842 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1ccco1 1740634061 DHIKEDVHDLCMKZ-UHFFFAOYSA-N 431.452 1.812 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1740636775 CNJKUKBIXKIICZ-PMERELPUSA-N 444.586 1.222 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(C)cs1 1740685804 MMSSNLPRXGQVKS-GOEBONIOSA-N 437.591 1.835 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)CCC(C)C)CC1 1740705210 CQIBEICGRUUVPK-FDDCHVKYSA-N 444.580 1.382 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCC(N)=O)CC1 1740750711 TXQQBLKVRSNFEK-QUCCMNQESA-N 444.580 1.977 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1740759937 MVDZEAXLNNUVLK-VQIMIIECSA-N 434.566 1.231 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CCC)C1 1740953435 GHGYTNAKQRBOCR-KRWDZBQOSA-N 447.561 1.656 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1741994000 ZEXQGWFIXFGFLD-HSZRJFAPSA-N 435.532 1.692 30 10 IDEE C[C@@H]1N(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1743379246 ZEYNEIUZGLURBL-ZJYNUGOYSA-N 437.504 1.870 30 10 IDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1747339389 VNMRVIAMAPRRCA-KRWDZBQOSA-N 432.550 1.571 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1748049962 GTPHWWYKRPLDFN-QFIPXVFZSA-N 425.537 1.234 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCC(=O)N2)c1 1748694321 DVAGVXNWXWOKAV-HXUWFJFHSA-N 443.511 1.599 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1748731924 OIUVXGYWENFZSF-HNNXBMFYSA-N 425.555 1.424 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1748811731 KJYWXLGXROMSDU-IAGOWNOFSA-N 434.591 1.591 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CC1 1748991103 QILKBLVESBBZKJ-AWEZNQCLSA-N 448.453 1.036 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCN2CCCO)CC1 1748992944 KWTIZWOLVAXBNP-OAQYLSRUSA-N 440.567 1.610 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 1749126736 GHCAOBGHAQASLJ-UWJYYQICSA-N 442.564 1.996 30 10 IDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1749261918 CLCGPGUFGXONMM-MRXNPFEDSA-N 435.960 1.689 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1749664737 YLXCHYHHBYHSEI-UHFFFAOYSA-N 449.519 1.158 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1749756302 WHBSFFWAVOZHMH-JKSUJKDBSA-N 445.611 1.003 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1750079129 NQKTVTYWRMNSRL-INIZCTEOSA-N 439.520 1.522 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760192442 IVQAWHKQMUQOIQ-RBUKOAKNSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760207154 YSZNVPIZKKDLPR-FQEVSTJZSA-N 425.558 1.418 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(CC(C)C)CCO1 1760222093 WOXQSDFBZGCYME-HXUWFJFHSA-N 426.565 1.220 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(C)(C)C(=O)NC 1760243369 HLSWNKGNUHDFFE-UHFFFAOYSA-N 440.523 1.952 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1760249163 IPMSLSRLBQWDII-LJQANCHMSA-N 441.532 1.869 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCOCCCO)CC1 1760255003 ABQZOQQBQTWNDE-UHFFFAOYSA-N 448.365 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(N(C)C)CCOCC2)CC1 1760270374 WCMADHOXORGDDR-UHFFFAOYSA-N 444.624 1.943 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1760327577 IZKGPIIRQREWRT-NPPFBWRTSA-N 448.568 1.373 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760372606 PGPYGWGUFZFSGD-OAHLLOKOSA-N 428.946 1.461 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760433261 QUSWCOSXBJOMOV-SJORKVTESA-N 426.587 1.013 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@](F)(C#N)C1 1760528191 VGQNFTDILXPKNW-NRFANRHFSA-N 428.468 2.000 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCC(=O)N1 1761606029 PCJFITDLZSIYMP-DZGCQCFKSA-N 444.565 1.421 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@H](C2CC2)O1 1763065482 UKGAEPDNHHUCNN-PBFPGSCMSA-N 434.522 1.405 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1765381690 HAHZGAQAIRTIPM-GOSISDBHSA-N 433.520 1.879 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)cc1OC 1766281991 WSMFHRKMSFMYOY-GOSISDBHSA-N 442.520 1.997 30 10 IDEE CCN1CCN(CCCCn2c(C(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1767149583 BASUULCAUGNQDU-OAQYLSRUSA-N 428.629 1.996 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1767573534 ASYHSIHAFIGUDK-HNNXBMFYSA-N 444.561 1.460 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1768800491 AUXMGPIZDJIKFU-SAZZCXPWSA-N 430.509 1.519 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(CC(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@@H]21 1770271778 FUPQGLPBPKEEEU-XOSZIXPVSA-N 428.537 1.864 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1771335624 ALSRBJPGLRQRCF-SFHVURJKSA-N 445.545 1.779 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)CCO1 1771536830 CKFWRVIYAVSKNQ-KBPBESRZSA-N 449.313 1.007 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1772567237 ZIJOXGCEVWBUKR-IBGZPJMESA-N 438.532 1.784 30 10 IDEE CN1C=N[C@@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)C1 1851917921 QKLMOWYYNWUDKC-AZUAARDMSA-N 427.482 1.665 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1(C#N)CCOCC1 1853385173 BFLJVVLYBVUUOJ-GFCCVEGCSA-N 430.324 1.552 30 10 IDEE CN(C1CCN(CC(F)F)CC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856124672 HBEKOGRXKVKGHD-UHFFFAOYSA-N 440.472 1.366 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C12CCCC2 1856218715 LDXWORJCWZZRFY-UHFFFAOYSA-N 425.894 1.935 30 10 IDEE C=CCN1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(=O)C12CCCCC2 1856262269 VXLWOIPKGUKYIA-UHFFFAOYSA-N 431.514 1.391 30 10 IDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1=O 1856496528 IWMGJRJINQQNLT-CRAIPNDOSA-N 436.509 1.199 30 10 IDEE CS(=O)(=O)N(C1CC1)C1CCN([C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1856791345 ZWFKBDIXAKRWET-IBGZPJMESA-N 430.530 1.188 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869932282 ZAYMKGMWGRNGFK-QZTJIDSGSA-N 430.530 1.628 30 10 IDEE CCCCCCCCN1C[C@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1=O 1873016566 SSIUFPFLJBINIX-HXUWFJFHSA-N 436.597 1.198 30 10 IDEE COCCN1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1892044771 RFHWVSZYKBCGTM-LEWJYISDSA-N 430.574 1.742 30 10 IDEE C=CCN1C(=O)C(=Cc2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2040498250 GHTRZJSOLIODBV-UHFFFAOYSA-N 446.554 1.811 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124524191 PCBXOAMMVLRZGA-INIZCTEOSA-N 445.325 1.660 30 10 IDEE C#CCn1ncc(NC[C@H](CCOC)NC(=O)OC(C)(C)C)c(Br)c1=O 2225549138 AFGQRTTVXLDMAV-LBPRGKRZSA-N 429.315 1.981 30 10 IDEE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243676633 LPEVZWKPNDZLDO-SNVBAGLBSA-N 442.372 1.508 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248406386 XQBPOYHQINHAAC-NWDGAFQWSA-N 439.343 1.751 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542718 WMFLJORVBBADRP-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2255618857 KPDRTGKSZYSPOW-LSDHHAIUSA-N 432.330 1.933 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 2255693387 GXWHDDCPTPPKJB-QGZVFWFLSA-N 425.342 1.509 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2nn(C)nc2Br)C1 2266534818 OSJZCOLIHZYBRY-UHFFFAOYSA-N 426.315 1.843 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 2267263241 CLJOVJDZCBMMEV-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C 2267267563 XOQUMKMVMMBNLU-GOEBONIOSA-N 449.357 1.594 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1CCO 2267278186 ZHZNIPXOAPFYJH-INIZCTEOSA-N 449.357 1.758 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268671258 KNPVKCSGGAUZRA-HUUCEWRRSA-N 447.341 1.937 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](O)[C@H](F)C3)cc2Cl)OC1(C)C 2282307253 ZHLBYEZEQKMCBG-GHMZBOCLSA-N 425.740 1.794 30 10 IDEE CSC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284401382 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NCBPZCZZCVRFIQ-PMACEKPBSA-N 430.597 1.655 30 10 IDEE N#Cc1cc(S(=O)(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)ccc1F 518147349 KEWBCSQCFIUTEN-KRWDZBQOSA-N 430.505 1.873 30 10 IDEE C[C@H]1C[C@@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1C 532590309 PSQGMLWTJZYEES-IRXDYDNUSA-N 426.521 1.869 30 10 IDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 549690254 OKWAPMSFMMFMRM-UHFFFAOYSA-N 430.520 1.843 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCOC3)CC2)nc1 549980666 ZOEWTVFEPWYZDX-LJQANCHMSA-N 430.516 1.894 30 10 IDEE N#Cc1cscc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 550513296 HNBRTORNBDDEQT-UHFFFAOYSA-N 432.483 1.097 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 576354110 NPKFKQIKXLSIIL-GOSISDBHSA-N 438.598 1.252 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 576420616 YKHSXMSBMJTLEB-YJBOKZPZSA-N 438.525 1.968 30 10 IDEE N#C[C@]1(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CCSC1 589308976 BHMIYRYSADSLHL-BNSIRGCOSA-N 433.533 1.981 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 611552218 SCAVZEIEMXACFX-FGZHOGPDSA-N 431.556 1.481 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H]2CCCO2)C1 619853346 GZVJTYGFFYIZKT-LIRRHRJNSA-N 433.513 1.859 30 10 IDEE COc1ccc(-c2noc(CCCC(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2)cc1 731861406 AGWBKWUBEDKEJA-VZCXRCSSSA-N 425.445 1.711 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 746303993 BFYJRUVWOBREKR-IJYGLTAASA-N 448.426 1.816 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@H](C)O 757263859 HOEWBQORGOKOMI-WVFSVQOHSA-N 436.464 1.867 30 10 IDEE CC[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(F)F 766037669 LGDFKURLKXJEMQ-AWEZNQCLSA-N 428.505 1.693 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2cnccn2)C1=O 774581359 HLZSHHLSTNPRMV-GOSISDBHSA-N 426.546 1.719 30 10 IDEE CC(C)(C)OC(=O)N1CCC(SCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 778786790 FZSLYYGQBGMDIH-ZCXUNETKSA-N 438.550 1.762 30 10 IDEE Cc1sccc1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 787866543 XJORBFOZPFXTDQ-UHFFFAOYSA-N 447.538 1.547 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 794616420 KDKQAIYZPRFCTP-INIZCTEOSA-N 449.488 1.090 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)cn1 794624506 WWLSEEUQLCWMFP-OAHLLOKOSA-N 437.477 1.394 30 10 IDEE CC1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)C1 796420407 UDAQTURVIHRIIL-UHFFFAOYSA-N 428.308 1.456 30 10 IDEE C[C@H](C(=O)OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 798741523 SCWYUGVFZGEILD-CYBMUJFWSA-N 436.394 1.622 30 10 IDEE N#Cc1cccc(-n2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4cccs4)CC3)n2)c1 798799047 MJVDUHCPTGDKNR-UHFFFAOYSA-N 449.492 1.947 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1C#N 803135651 SEFWWKDWMHZZQF-HXUWFJFHSA-N 436.468 1.617 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 805782040 GSRCOMFCSLEKPS-LJQANCHMSA-N 426.542 1.800 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 913258323 HETFLWWOZQJZPJ-UKQZIRKASA-N 439.516 1.969 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)s1 1136221164 YDMUGSQBSMDFJC-LJQANCHMSA-N 448.526 1.448 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CONC(=O)OC(C)(C)C)c1 1136282140 ZQGXVNBQZRWBEZ-QNGOZBTKSA-N 426.495 1.894 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 1140248925 UXIYRAQAJQEJCI-RTBURBONSA-N 448.541 1.993 30 10 IDEE C#CCCN1CCN(C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1142803493 JEUGOKJJSRVVLI-UHFFFAOYSA-N 428.558 1.582 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1OC 1144586193 WPEJMVCOMJZVMZ-AWEZNQCLSA-N 425.413 1.641 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2cc(F)ccc2C#N)CC1 1162190148 PZEXDDXIOLMCNH-UHFFFAOYSA-N 437.518 1.920 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1 1162950045 VWUAUQWMZBJHLM-LJQANCHMSA-N 427.526 1.929 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1286294200 BZENRFFUWPNEDJ-OKZBNKHCSA-N 440.614 1.045 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286303048 XCXAARLPDRULNB-VNRULFPQSA-N 445.483 1.713 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1286376119 FUJDLWKZWLOCKD-GOSISDBHSA-N 432.550 1.017 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1286393355 KJCSHHZIHMIPFY-ZWKOTPCHSA-N 430.578 1.562 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1286412773 MWOAMVQBNOQBLI-UHFFFAOYSA-N 435.528 1.427 30 10 IDEE C#CCSCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286511599 BHRNTIFSEVVEFU-JOCHJYFZSA-N 449.621 1.598 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCOCC2)CC1 1286651402 CQBDFKYARPYHRO-INIZCTEOSA-N 426.587 1.013 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1 1286742825 VIMTUFWGPPMUTF-UHFFFAOYSA-N 444.499 1.658 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286822806 HRJQQFLCWPEJCJ-CABCVRRESA-N 427.534 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286824700 GSHOHASWGIHAQI-QFBILLFUSA-N 428.555 1.146 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287140651 YYLHMIUEXIFVQD-QGZVFWFLSA-N 425.493 1.437 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1292889942 QSWHHVBNDNGMEN-GOSISDBHSA-N 433.553 1.247 30 10 IDEE C#CC[C@]1(C(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)CCCN1C(=O)OC(C)(C)C 1295120463 ZJCAYMRFTISZQK-LAUBAEHRSA-N 435.525 1.469 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(Br)cn4ncnc34)C2=O)cc1 1297335073 MHBRJHSVUKUHDF-INIZCTEOSA-N 439.273 1.894 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1297602597 CNNSXLCTLRDBJX-UHFFFAOYSA-N 435.536 1.657 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)Cc1ccon1 1300294096 WJTJHVTUBQFDGN-HNNXBMFYSA-N 444.517 1.519 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCN2CCCC2)CC1 1300410471 NJIUPNIVSKJUPG-IBGZPJMESA-N 449.621 1.675 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1300550819 CTDGZPCHPXONLO-UHFFFAOYSA-N 432.550 1.557 30 10 IDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1301066185 OZTUBKWXXKFKOS-DLBZAZTESA-N 427.571 1.440 30 10 IDEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](OC)C2)cn1 1301854983 BVVRJJPGVZKNCP-FQEVSTJZSA-N 437.504 1.845 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c(OC)n1 1315497358 GDMTUJCEOXDYQU-YCRPNKLZSA-N 425.493 1.820 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(C)=O)CC1)OC 1315797483 BQPOPZBOBSKWPQ-HXUWFJFHSA-N 426.521 1.831 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1359044838 PROIPNWEPJEBDA-UTKZUKDTSA-N 437.544 1.849 30 10 IDEE C=C(C)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1359125098 PCCJAQVBGNXETP-KKSFZXQISA-N 432.525 1.273 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359227097 SNYGFGINSOYUTE-QZTJIDSGSA-N 429.525 1.616 30 10 IDEE C=CCSCCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359342198 RKLVGBHHQOQCMY-KRWDZBQOSA-N 441.623 1.706 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359613851 LCWATITUTWVYLJ-ZZEZOPTASA-N 443.552 1.623 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1455201158 BINSLFFMFGUXHI-LBPRGKRZSA-N 435.340 1.431 30 10 IDEE Cc1cc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n(CCC#N)n1 1464378483 IVJPDCSSGCOLPI-AWEZNQCLSA-N 425.511 1.468 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1)C1CCOCC1 1470865678 LYIVXEODGLPKRW-LJQANCHMSA-N 431.533 1.968 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nccc(Br)c3C2)cc1 1472582913 JKTMHBYSPLZQTQ-UHFFFAOYSA-N 434.315 1.954 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2[nH]cnc2Br)CC1 1474801524 HRFZHCIFYMNGGI-UHFFFAOYSA-N 427.284 1.420 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@@H]1CCSC1 1503411972 CYYKEYKRDNZPQU-QGZVFWFLSA-N 432.575 1.794 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1504386743 BWTDVVMRJOEFBB-INIZCTEOSA-N 431.518 1.507 30 10 IDEE COCC1=CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1504651562 WXNUZVQBYGQVPX-QURGRASLSA-N 449.515 1.573 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1504899369 QYZHBTQBSKPDDG-INIZCTEOSA-N 428.884 1.613 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCCC1=O 1505081030 BFWMKVCWZAPROH-NSHGMRRFSA-N 446.552 1.524 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1507536864 FKCQDLSGWKTPTR-HNAYVOBHSA-N 443.529 1.863 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1507616291 IFLGNGIQXGEDBL-JKSUJKDBSA-N 439.582 1.753 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1507637478 KJYXVJCACRCXFY-MLHJIOFPSA-N 440.566 1.054 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1507643809 ZKQVDBGFWLZLNU-MRXNPFEDSA-N 443.529 1.055 30 10 IDEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1507928369 IXCYCXOKWKPBCJ-OALUTQOASA-N 438.532 1.322 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1508034954 YEYXPZMRJLXUHN-VGSWGCGISA-N 429.521 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508081257 IKTWZXDNMCLBIZ-VQIMIIECSA-N 428.512 1.543 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 1508114892 MWAXOKZKXLEAJX-XXBNENTESA-N 443.548 1.767 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCNC(=O)C3CC3)CC2)c1C#N 1511663515 HJHFJFQQUARGGO-UHFFFAOYSA-N 425.541 1.168 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1517401005 DBIWJAUGHCSQDR-SJCJKPOMSA-N 434.298 1.243 30 10 IDEE C#C[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C1CCOCC1 1529521873 LHVUZVLRBJJFTJ-HNNXBMFYSA-N 436.438 1.904 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1531581741 WKODBJZUVAWLSA-UHFFFAOYSA-N 428.532 1.520 30 10 IDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C#N 1532405712 PAWQJYRRMVYMLA-UHFFFAOYSA-N 427.482 1.785 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1536179728 LYUHSVJHJBUHBW-GUXCAODWSA-N 435.933 1.589 30 10 IDEE Cn1c(=O)c2ccc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc2n(C)c1=O 1538342368 UVOMOIUTHUFBIE-OAHLLOKOSA-N 429.477 1.763 30 10 IDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1539111223 PJLPGIYDABQXHI-SFHVURJKSA-N 448.593 1.574 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539115890 IACRBIGRCXJASY-IAGOWNOFSA-N 436.516 1.846 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1539148470 LDFMGUXMSGEHJC-GFCCVEGCSA-N 446.455 1.342 30 10 IDEE CN(C)c1ccc([C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)N(C)C)cc1 1539233993 ADVWCSWXWCCPKG-SFHVURJKSA-N 429.546 1.210 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COc2ccccc2O1 1539397159 YWFYDFCNLATQMP-QGZVFWFLSA-N 448.483 1.851 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539416690 RWLCLBMGNJHUEX-LJQANCHMSA-N 432.546 1.461 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1539454560 SESYVBOBRIDLQM-UHFFFAOYSA-N 442.589 1.284 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](F)COC)CC1 1539489787 NOTRYODZDZJTJB-KRWDZBQOSA-N 447.486 1.947 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1540127167 RLANMVNUASPCRU-QGZVFWFLSA-N 429.546 1.999 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC2(CC2)C1 1540864740 JKPQVTFNCYJNKO-UHFFFAOYSA-N 445.545 1.268 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1540889844 VAHRIMXVHVPJBZ-MOPGFXCFSA-N 426.569 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1540897218 DIUWEBBNWQLYEH-PMPSAXMXSA-N 447.627 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540898373 ITCIBDBVDNGGHX-AWEZNQCLSA-N 437.953 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540901800 PPBORFVYJQFBLI-HXUWFJFHSA-N 430.534 1.108 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1OC 1540901932 VJHXHHWNSVUSTR-UHFFFAOYSA-N 428.518 1.981 30 10 IDEE Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1 1542824220 BAZSZNTWKGMVQL-UHFFFAOYSA-N 448.535 1.215 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](CN4CCOCC4)C3)C2)C1 1544873182 LXOJUOYFHABYMG-QTSFNNJRSA-N 432.565 1.954 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1547415092 NQXQQIDZZUTGGR-UHFFFAOYSA-N 437.548 1.332 30 10 IDEE CCn1cccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1=O 1547627510 XQHIXSCJXGZFFX-VXKWHMMOSA-N 444.511 1.991 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)C[C@H]1OC 1555787516 JICMNFFJNRXMNK-KDURUIRLSA-N 447.561 1.882 30 10 IDEE Cn1c(SC[C@H](O)COc2ccc(CC#N)cc2)nc2cc(S(N)(=O)=O)ccc21 1559330264 SNCHLVFJRCFVNY-CQSZACIVSA-N 432.527 1.819 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2C2CC2)CC1 1559845901 BJJHFSGXIDWLSR-UXHICEINSA-N 434.537 1.044 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2cnc(Br)cn2)C1 1564531576 VAXVEEJJWAGAPZ-JQWIXIFHSA-N 425.287 1.797 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 1568994848 FUBVUPBDJALILK-YOCVDRLZSA-N 438.484 1.095 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1587898053 DXOIJYCPOJKWLS-NRFANRHFSA-N 436.560 1.589 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1588089023 FZJBNLMFGBMZFZ-HSZRJFAPSA-N 427.549 1.256 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588228386 FFJYQARYPUOENY-MSOLQXFVSA-N 439.482 1.898 30 10 IDEE C#CCC1(O)CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1588766603 YFKRZLUNYMDGJA-UHFFFAOYSA-N 432.318 1.897 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1588806246 KVDQZLZUAMUDAG-XMSQKQJNSA-N 442.951 1.546 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588907695 DHFKYZJMZWNRIQ-BXKMTCNYSA-N 448.527 1.322 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1594783798 IXUFYXMLOUCPPN-SVMVAKDDSA-N 433.553 1.880 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCOCC1 1595297589 SSOOYIPYNCDVBI-UHFFFAOYSA-N 440.504 1.774 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595577183 KWNOUVWEKWFLGF-IRXDYDNUSA-N 427.461 1.582 30 10 IDEE CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1602883668 KPGDEMHCBSMGCV-DPPKGPFUSA-N 443.552 1.086 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1Cc1ccc(C#N)o1 1613327401 IVBCPNIMXAHNKB-INIZCTEOSA-N 429.525 1.189 30 10 IDEE CC/C=C/Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1614291013 QCVYAJAOBFPVND-LAQIPUCWSA-N 435.536 1.743 30 10 IDEE CCN(CC)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1615450563 UTIASLRVTGIZPA-NRFANRHFSA-N 447.515 1.806 30 10 IDEE CCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)N1CCCC[C@H]1C 1615573200 YRPGJWIBXGTEJV-VVUNRJAOSA-N 439.537 1.355 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1616831369 CZNQGEPXLVFRSL-PMACEKPBSA-N 437.562 1.244 30 10 IDEE N#C[C@]12CN(C(=O)COc3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1618171682 HTJLEKJXTFKJLH-XHDPSFHLSA-N 446.266 1.067 30 10 IDEE CO[C@](C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1618922095 GABBQYMOSLBLHZ-ZSZQSSIHSA-N 440.570 1.164 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1620168350 DBHAYZHOCKINNO-UHFFFAOYSA-N 442.545 1.635 30 10 IDEE N#Cc1ccc(CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 1620450722 BVKSSZFFLQFGLY-UHFFFAOYSA-N 429.502 1.563 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cn4cncn4)c3)CC2)cc1 1625121103 FRZUBXUWKZCJKD-UHFFFAOYSA-N 436.497 1.345 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCCOCC3)CC2)ccc1F 1629385755 FJOPLOPOIPZEQA-UHFFFAOYSA-N 425.526 1.617 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 1637870642 DPYNSOPBHDGSJJ-UTKZUKDTSA-N 431.489 1.442 30 10 IDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCc4c(CC#N)cccc4C3)ccc21 1638975193 HJOPEHOUFYLCTE-UHFFFAOYSA-N 432.484 1.642 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1648102122 MHSPKMOOWSFPPM-UHFFFAOYSA-N 426.495 1.325 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)N(C)C 1653538815 AAHOFVHEASWSCT-CVEARBPZSA-N 434.541 1.635 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCCC(F)(F)[C@H]3O)nnc12 1654638156 RUKNIZHDEZWYOR-CJNGLKHVSA-N 449.483 1.987 30 10 IDEE C#CC1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1654837592 ILCKWCSUTKOZRU-UHFFFAOYSA-N 425.938 1.645 30 10 IDEE COc1ccc([C@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1660309187 AKDSENRWIVTEEO-FVJLSDCUSA-N 433.530 1.237 30 10 IDEE COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)S(=O)(=O)N(C)CCC#N 1669334429 DOUKYFYIWOVWGA-AWEZNQCLSA-N 434.312 1.694 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1682200988 WFNIXOXNXXNYTA-AWEZNQCLSA-N 432.527 1.686 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1689930686 XESNSEZNEZUYPH-MSOLQXFVSA-N 448.593 1.176 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1689993407 CSDPRMCEXRRURZ-IBGZPJMESA-N 447.605 1.650 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(=O)OC)CC1 1690073996 OHWUMDVPIPQZGV-UHFFFAOYSA-N 428.493 1.944 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2CN2CCOCC2)CC1 1690133763 SJEORPGOAUSRDH-UHFFFAOYSA-N 438.576 1.450 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@H]2COCCO2)CC1 1690142199 JVSBPCYYCJTCAJ-SFHVURJKSA-N 426.521 1.055 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690170412 ICSTZBOAJAFRLT-QGZVFWFLSA-N 426.546 1.979 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1690620173 SLLIGVOSILVCQG-OAQYLSRUSA-N 447.609 1.525 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)C1 1690700355 QXWALHMBWYEYDY-JKSUJKDBSA-N 439.582 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690729140 HKXGDIMUICPSOJ-OALUTQOASA-N 448.593 1.746 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)[C@H](C)C1=O 1692424034 HKZYIKYQVQEBPZ-GOSISDBHSA-N 440.548 1.909 30 10 IDEE CC(C)SCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692630464 SGOIIISNVKMVNY-INIZCTEOSA-N 427.534 1.906 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)(F)C2)n1Cc1ccc(C#N)o1 1692825958 SQGKOFZIETVDLJ-LLVKDONJSA-N 428.465 1.883 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1696524364 PLAWQWFMDSFXBG-BGOLNKOXSA-N 442.545 1.214 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696587622 QKHYZRDXMOWUGL-SFHVURJKSA-N 438.536 1.244 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705515599 IGJRAPLMTOURIS-OALUTQOASA-N 441.580 1.166 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705571172 XLYVGVLKCAFPIY-LJQANCHMSA-N 443.573 1.168 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705791272 RRYJADDKQVXCTG-CABCVRRESA-N 429.525 1.304 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1705792191 OSMLENMPVBBVQI-OAHLLOKOSA-N 444.623 1.796 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705809741 BCAJSECHQKUTJF-UHFFFAOYSA-N 437.548 1.906 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1705884937 BKLAMTVCNZNHOP-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705944040 SSPMHWYPEIMFKT-IAGOWNOFSA-N 431.566 1.559 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1706670815 MLQPXYWOOSDFGV-RTWAWAEBSA-N 428.493 1.533 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(S(C)(=O)=O)cc2)CCOC1 1710422962 COCHLEHJKADZAI-HRAATJIYSA-N 447.561 1.978 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1712303381 GPHRKLIOXCLHEF-KNQAVFIVSA-N 427.505 1.741 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCOCC(F)(F)C(F)F)c1 1712878075 DLOPNGRZAJTRFN-UHFFFAOYSA-N 426.374 1.670 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N1CCOCC1 1722378610 GDVLASAYKMBMCH-LJQANCHMSA-N 435.557 1.886 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1722404533 CINPFIFIDMWKNB-JOCHJYFZSA-N 439.541 1.811 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1722443782 AKOLQZVZPROBQD-UHFFFAOYSA-N 434.544 1.702 30 10 IDEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722481184 ZIBSGMRIWNHGIG-AWEZNQCLSA-N 448.281 1.976 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(C)C)C1 1722694678 DOVIODYTAGTKEM-LJQANCHMSA-N 427.505 1.880 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1722861074 BCRCEGUUFZDLOM-CVEARBPZSA-N 439.511 1.466 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1722862524 CHIGYOVGENMRPS-ZDUSSCGKSA-N 438.941 1.502 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1723470541 HQZNQFNOUOFBMG-LAUBAEHRSA-N 433.532 1.313 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1727816599 IZXRKLCKJSEONO-FKIWZOAZSA-N 444.536 1.702 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)CCOC1 1728818505 QWYYSIRWIHMKSY-DBXWQHBBSA-N 435.525 1.102 30 10 IDEE CN(c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1729366294 GUAGDYFCQYOQEE-RAJOGRCSSA-N 428.518 1.682 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCCC2)CCO1 1731185834 GGXQDFDZUZXWBH-QGZVFWFLSA-N 444.923 1.895 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1740538240 KWNHEICQXYJNCP-SBUREZEXSA-N 441.532 1.827 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NCC 1740602061 DNWYKWUUMLBROP-UHFFFAOYSA-N 446.577 1.427 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1740696656 ZZOULFSIJIZVPP-NRFANRHFSA-N 429.657 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@H](C)C2)CC1 1740701081 TZVGSLKSOUPKOW-MSOLQXFVSA-N 426.565 1.916 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740710227 SNJRXDGCEYOKEQ-QGZVFWFLSA-N 432.594 1.764 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1740793242 QDNXPIPAKDWIKI-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)N(C)C)CC1 1740819880 IOKZTXVGYJULEA-UHFFFAOYSA-N 432.550 1.440 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740889938 NIMFLJFEOZYLAR-ZVVDCOBXSA-N 436.553 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1740953776 QLZAQUKYTVQAIP-OAQYLSRUSA-N 442.545 1.781 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1 1740960685 XVXPQBMKXVYYEH-MRXNPFEDSA-N 434.541 1.735 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1740991966 JIVJCOVPQXCOGW-MRXNPFEDSA-N 441.554 1.051 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)C1 1741982935 BQUKSEVGPGWFRW-LPHOPBHVSA-N 434.522 1.382 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCOC1 1742906404 IJPJQFGCWYQWPW-MJGOQNOKSA-N 438.532 1.927 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1748669674 HDBYFRQSRIUJQK-TZIWHRDSSA-N 440.548 1.919 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)NC)c1 1748694843 QPJWAPJHBBWXIL-UHFFFAOYSA-N 446.577 1.472 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1748816035 VYFMDGIMVAJHLK-HKUYNNGSSA-N 444.561 1.488 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1748822099 XPPHBIWYPPJMNY-SFHVURJKSA-N 430.578 1.728 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOc2ncccc2F)CC1 1748971641 XSIJSXWBMVITGB-UHFFFAOYSA-N 443.527 1.565 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2COC)CC1 1748978869 QZGQSJLKRFZDNO-XMMPIXPASA-N 439.560 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOC(C)C)CC1 1749003659 RFOXITNHDHUZRD-HSZRJFAPSA-N 447.580 1.710 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2nnc(C)s2)CC1 1749014974 QMRFKBJNWZMYOG-INIZCTEOSA-N 429.550 1.150 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)CC)CC1 1749015970 VBSHTPLAFKHVGQ-QFIPXVFZSA-N 427.553 1.267 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1749037387 CJJLESHKGFOORX-LPHOPBHVSA-N 441.623 1.604 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1749159019 NWZZIRBTKOLMBE-HNNXBMFYSA-N 430.596 1.407 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749220297 DEDTZACCRUGAPJ-QFIPXVFZSA-N 439.520 1.747 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1749663550 JKKGJOCXEATBNE-INIZCTEOSA-N 435.532 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1749664559 RNMVYSPTJGHTEF-UHFFFAOYSA-N 426.496 1.835 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1750075528 FNOLUWCXOVDTEM-ZIAGYGMSSA-N 436.504 1.660 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1760114787 SVWORPNDUZTTBD-SESVDKBCSA-N 436.560 1.978 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760130633 KNGUHLWFRFQHTG-JTDSTZFVSA-N 425.555 1.076 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1760188710 CDKVWGKQKFLZSO-SFHVURJKSA-N 428.562 1.367 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCS(C)(=O)=O 1760196203 PKNGSAXHQDQQNA-UHFFFAOYSA-N 439.310 1.964 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760232084 RZINEQFPXOZQOT-UHFFFAOYSA-N 433.564 1.723 30 10 IDEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCS(=O)(=O)C1 1760250768 MDSBOAXAOYTSIK-FQEVSTJZSA-N 430.574 1.974 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2([S@](C)=O)CCC2)CC1 1760261287 NHUHGDSXZXGZBT-HKBQPEDESA-N 441.601 1.956 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760912872 VVQBBEUAFGJESB-JLUOLNIDSA-N 443.552 1.086 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1765888693 DFKMCAFYRWWMNZ-YADHBBJMSA-N 446.552 1.309 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)CCO1 1769260904 JMUDLNNSFPVXPO-KZNAEPCWSA-N 442.520 1.661 30 10 IDEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1770074148 YJASHWGCNUHCAG-QGZVFWFLSA-N 446.552 1.571 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1771369940 UXNQIWRBXSRKLW-XHDOVSQSSA-N 430.490 1.883 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1772564700 XUVDYGWXBFVBFF-AEFFLSMTSA-N 446.577 1.471 30 10 IDEE CS(=O)(=O)c1ccccc1OCC(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1851754411 NSYYKQULLBYJQA-UHFFFAOYSA-N 433.530 1.470 30 10 IDEE COCc1nc(N2CCOCC2)ncc1C(=O)N=C1C[C@@H](C)N(c2ccc(Cl)cn2)N1 1851848135 WTMVORJJOSYEPV-CYBMUJFWSA-N 445.911 1.850 30 10 IDEE COc1ccc(N2C[C@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c(OC)c1 1852455307 JMDTXOSQAWQWSW-NVXWUHKLSA-N 438.440 1.687 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(CCC#N)CC2)c2ccccc2)cc1 1852649454 IDXYGSONUVUUFZ-OAQYLSRUSA-N 442.541 1.773 30 10 IDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1=O 1856496531 IWMGJRJINQQNLT-YJBOKZPZSA-N 436.509 1.199 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2csc(-n3cccc3)n2)C1=O 1856735834 PZIVDPLIWVJGOQ-IRXDYDNUSA-N 427.530 1.784 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)OCCOCCN2C(=O)c3ccccc3C2=O)c1 1860406246 QYTIVJKXVMOECX-UHFFFAOYSA-N 435.454 1.722 30 10 IDEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)cc1 1874433273 IDYRJBALVDNAAN-AUEPDCJTSA-N 442.501 1.807 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2248477474 JZXCYLZBKPAYNK-CQSZACIVSA-N 444.359 1.324 30 10 IDEE Cn1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255648612 NBVYPEZFPGRGOB-UHFFFAOYSA-N 434.346 1.802 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255694118 MEKIGQZEKFVKID-UHFFFAOYSA-N 434.342 1.945 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255700490 DGQASVSQTVJPKL-LSDHHAIUSA-N 435.330 1.414 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CC2 2255830469 GUTFFZIXQQDLEZ-AWEZNQCLSA-N 432.330 1.981 30 10 IDEE Cn1nc(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2255843880 NGFFRICOLWXKPJ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256613538 JJYOWVJOSPJXBA-QGZVFWFLSA-N 434.342 1.830 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1 2256619473 ZBZIXWIXIJQMDE-UHFFFAOYSA-N 437.346 1.808 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2256623131 AZOGCMOPMSLXFG-KRWDZBQOSA-N 432.326 1.714 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267519875 JTJQFXJVPGYIIV-YCPHGPKFSA-N 446.357 1.942 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2267599542 QYEKPXSFQXZOIW-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2287691960 DYUWONHNRZNFNG-YLJYHZDGSA-N 440.518 1.187 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC1 2315520256 RLVBFYTZGSMSHP-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@@H]1OCc1ccccc1 2337201586 WVIGYDUVLZIJCV-MSOLQXFVSA-N 441.337 1.823 30 10 IDEE CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 26820640 RLGAZGMPKZRWDF-UHFFFAOYSA-N 441.469 1.677 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccs2)[C@@H](C#N)C(=O)N3)C1 101441079 ZCNRFIPXDCQOJG-YRGRVCCFSA-N 427.486 1.835 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@@H]3CCCCN3CCO)nc2)OC1(C)C 204882414 AJFBFRAMXIUHRJ-KRWDZBQOSA-N 439.387 1.177 30 10 IDEE N#CCCn1ncc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1-c1ccccc1 429737507 SQPGHSPKKXZJIS-UHFFFAOYSA-N 436.516 1.080 30 10 IDEE N#CCCn1cc(C(=O)NC[C@H](O)CN2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 434449356 CILPISJFJPCMED-SFHVURJKSA-N 426.477 1.949 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)C2CCN(c3cnccn3)CC2)cc1 435252507 SUTSNQKPKIOHPF-UHFFFAOYSA-N 437.504 1.850 30 10 IDEE CCN1CCN(c2ccc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cc2F)CC1 472668268 GBHZWKSULZUJNF-UHFFFAOYSA-N 439.539 1.844 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2)nc1 512238560 GKDUZVKPAKUGQB-LJQANCHMSA-N 434.500 1.465 30 10 IDEE N#Cc1ccc(N2CCC(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CC2)c(F)c1 512325880 YMKOZPSQVPZDPN-UHFFFAOYSA-N 441.551 1.974 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cn(C)c(=O)n(C)c1=O 525150856 VQFNXSYTPKROCT-UHFFFAOYSA-N 437.250 1.134 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)n(-c2ccc(F)cc2)c1C 533432824 IUYKQNOCIOHDIH-MRXNPFEDSA-N 433.509 1.667 30 10 IDEE Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545515648 DZCJRTPDIJNKLT-UHFFFAOYSA-N 430.472 1.900 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 549291651 IAHHTWDGKMIPMH-KRWDZBQOSA-N 449.581 1.737 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 603801194 ZNZDEMYDTVQRPQ-AWEZNQCLSA-N 447.507 1.786 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670215439 QVDBHHFVNVHAQV-INIZCTEOSA-N 447.565 1.190 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 679533319 LLKOSCKMWWVLEZ-UHFFFAOYSA-N 439.534 1.517 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2c(C)cc(C)nc2O)C1=O 726115557 QXHBKCNWQXCGEV-JOGXUEJDSA-N 427.530 1.978 30 10 IDEE N#Cc1cc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1F 728575981 CXAHITRTIFZGMB-UHFFFAOYSA-N 426.447 1.486 30 10 IDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 731862361 DUQFEESWHVHOTA-XGXBSQSSSA-N 432.864 1.344 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 732152625 FGFBYUABXCKUOH-DPHDRGAJSA-N 429.452 1.712 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)CCN1C1CC1 732647927 MOZUNEACEFSJFZ-VVIORFSUSA-N 438.576 1.190 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)/C=C\c1cccc(Br)c1 735081094 KSYYGRWIRGYUHC-JFWSSZSXSA-N 426.292 1.866 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741339367 FXTQXJDLESEPMB-QURGRASLSA-N 437.456 1.887 30 10 IDEE C[C@H](CC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742576778 BEMFBVRUJNOYRD-HIFRSBDPSA-N 446.504 1.103 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 774171513 PCWYJCXXOFLEQS-SFTDATJTSA-N 432.590 1.197 30 10 IDEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccncc2)c1)[C@H]1CCS(=O)(=O)C1 774180427 RMFJEGOGWUEFNX-IBGZPJMESA-N 426.498 1.666 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(OC)CCC2)cn1 779755461 LUAIFUGVHFAUEI-INIZCTEOSA-N 436.582 1.472 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)c2C)nn1 781593996 XRHRQODWBCOUKD-UHFFFAOYSA-N 430.421 1.499 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)n1 788574813 BAEGAZZVQNQTFI-UHFFFAOYSA-N 449.508 1.876 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 788695002 AOFZTBUDZQERHD-HXUWFJFHSA-N 436.578 1.476 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)n1 788862214 POGHVTAQNZPUFS-SFHVURJKSA-N 426.521 1.495 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 803699040 OAQWRSMAWXQELF-UHFFFAOYSA-N 442.537 1.956 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 804446282 CKHZRAXIXIZPKA-NVWMPKGRSA-N 437.544 1.322 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C 917355824 DYEOKYNZJYCAOK-UHFFFAOYSA-N 449.580 1.977 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3nc4c(s3)COCC4)C2=O)cc1 1134196478 MASDUDJIFCJDEL-HNNXBMFYSA-N 425.470 1.609 30 10 IDEE C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1135889511 LOTCUKXHFQBJDI-INIZCTEOSA-N 442.520 1.070 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2sccc2S(N)(=O)=O)cc1 1136287569 KLDKHZFYASZWAE-RGEXLXHISA-N 442.544 1.461 30 10 IDEE N#Cc1cn(CC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c(=O)nc1O 1136952765 GKXAYRBGWATLMZ-UHFFFAOYSA-N 431.880 1.134 30 10 IDEE CNC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1ccc(F)cc1C 1143180231 ICTMLGYZVNSYGK-HNNXBMFYSA-N 449.479 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156669992 MPUUYAURSKSTHJ-DCGLDWPTSA-N 433.477 1.275 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2ncc(I)cn2)CC1 1175148335 ARFLOVSTCSOPPE-CYBMUJFWSA-N 442.305 1.211 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3Cc4cnccc4NC3=O)C2)C1 1176659722 YFHSUNMUFYOLMM-GDRCOGEISA-N 425.489 1.848 30 10 IDEE C=CCC1(O)CCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 1178198314 ICFMKUZBIPMOHP-UHFFFAOYSA-N 446.573 1.999 30 10 IDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nc2sccc2c1=O 1188282281 ALEVCDDEELZQNY-UHFFFAOYSA-N 442.588 1.276 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1286272350 BMHOADURENOITM-GJZGRUSLSA-N 432.550 1.144 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C 1286273460 ITZQFWFBAWIRRO-VFCRVFHLSA-N 431.924 1.859 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1286278301 MWLJYNSTHWDOPY-CABCVRRESA-N 436.607 1.466 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286279217 KMLAGVGRABPPAU-DYVFJYSZSA-N 426.477 1.408 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286396384 PNGMHNGEMCRALD-MAUKXSAKSA-N 434.566 1.049 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccc(C)cc2)CC1 1286482306 PUCSFBSXFNBRAD-UHFFFAOYSA-N 443.555 1.758 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286607453 GZOZSAJUKCLYFC-IRXDYDNUSA-N 434.566 1.500 30 10 IDEE C=CCCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286699427 CNZBJDLOCZINBZ-OWCLPIDISA-N 439.582 1.933 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1286785764 SABQPDJYTHJOIK-SFHVURJKSA-N 425.493 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 1286815019 ZEDFUWIMRWYTSE-INIZCTEOSA-N 435.554 1.092 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OC)C1 1286819443 KXFIHQYVUASXGL-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286821849 VYHUEEOGWJIBHN-LPHOPBHVSA-N 431.562 1.868 30 10 IDEE CO[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1299567132 BQEQHNSTMPEUGR-DLBZAZTESA-N 433.520 1.676 30 10 IDEE COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCCC1 1299809932 HWMATGMCGXOQNI-HZPDHXFCSA-N 440.570 1.309 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1300304602 UANBANCSNCIQSD-WMLDXEAASA-N 427.505 1.956 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CC)c1 1300331954 VDAWLHGIRKZNBW-QHCPKHFHSA-N 438.532 1.731 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300536287 UDZFTFJUCUDINW-OAQYLSRUSA-N 433.560 1.440 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1300700408 OQXAJUPHJNEVIW-PMACEKPBSA-N 448.637 1.056 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1300780621 VAKHZOGAQDEWPX-MGPUTAFESA-N 436.582 1.139 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1301565836 GUSUTGXDVVVWKT-PMACEKPBSA-N 446.596 1.539 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)cc1 1303061788 ZTZBZWDSDFBUGM-CALCHBBNSA-N 429.502 1.561 30 10 IDEE Cc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1304345839 IVAGRZOPYMMSEL-UDJKBAMHSA-N 439.476 1.293 30 10 IDEE CS(=O)(=O)c1ccc([C@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CCO2)cc1 1307956643 ZXFNAPKTWWWKJV-OAQYLSRUSA-N 438.505 1.763 30 10 IDEE O=C1C=COC2(CCN(C(=O)NCCNS(=O)(=O)c3ccc(F)cc3Cl)CC2)C1 1312569292 JACRHTNKQDBSAG-UHFFFAOYSA-N 445.900 1.805 30 10 IDEE CCN1CCN([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1313925910 BXLHUZDRLRIMER-IFMALSPDSA-N 437.592 1.818 30 10 IDEE CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2N(C(=O)OC)C3)c(C#N)cn1CCOC 1354104287 DHWVACZYERRLOT-FVQBIDKESA-N 430.461 1.764 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358874523 YCLPRESNAXBGMY-HRCADAONSA-N 433.475 1.723 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1358911453 UOJAFTLDIQPEJS-SFHVURJKSA-N 427.553 1.761 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1358927316 UTDMNDYPHZNMPP-HXUWFJFHSA-N 429.550 1.353 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1359045895 XODBBJJSDTXGPD-PMERELPUSA-N 427.574 1.733 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1359070022 CYKAAEVLUWKPAO-DBXWQHBBSA-N 433.578 1.431 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1359172680 FCLJRURIXVPHTQ-IBGZPJMESA-N 445.612 1.761 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCS(=O)(=O)C2)C1 1359323247 KQPNDPMHCCMICC-NVXWUHKLSA-N 437.591 1.850 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCOCC2)C1 1359323785 WUQDOHNMPIPZAO-LJQANCHMSA-N 426.521 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359332800 HKOCEPGICPGZDH-JTDSTZFVSA-N 448.545 1.599 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1360218567 IAMZDQYHPHFFKC-OAQYLSRUSA-N 431.585 1.782 30 10 IDEE Cc1ccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)cc1F 1361121985 ARHHARWOVCJMET-HNNXBMFYSA-N 441.511 1.874 30 10 IDEE C=CC1(CC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CN(C(=O)OC(C)(C)C)C1 1440776986 RMJYOLZMMDNAIB-UHFFFAOYSA-N 429.477 1.384 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)s1 1443987562 BTHGAMJSBUBVCV-INIZCTEOSA-N 441.619 1.905 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cccc(C(=O)N(C)C)c2)s1 1444020846 SLHZEJAQUZGTBN-UHFFFAOYSA-N 435.571 1.816 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)n[nH]2)c1C 1444254613 RKSFGTHRQHCFBK-UHFFFAOYSA-N 439.524 1.203 30 10 IDEE C#CC[C@]1(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)CCCN1C(=O)OC(C)(C)C 1451173635 YIHSDSITUUUAPE-RZQQEMMASA-N 426.535 1.194 30 10 IDEE CNC(=O)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccc(OC)c(F)c1 1452239077 YXBBFTXVSWLAHC-KRWDZBQOSA-N 426.448 1.157 30 10 IDEE COCCN(CCOC)C1CN(C(=O)COc2cccc(Br)c2C#N)C1 1452732177 BKSPLAFJFLRPOC-UHFFFAOYSA-N 426.311 1.505 30 10 IDEE C=CC[C@@]1(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1456437797 ZUWZLYQXDVZPAX-NYHFZMIOSA-N 447.536 1.527 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ncc(C#N)cc3Cl)ncnc1-2 1464934370 NMVQPNFTQFEWMK-UHFFFAOYSA-N 435.673 1.261 30 10 IDEE CN1/C(=C\C(=O)Cn2cnc3ccc(S(N)(=O)=O)cc3c2=O)C(C)(C)c2ccccc21 1473087758 JZILTPJWDROEIX-JMIUGGIZSA-N 438.509 1.925 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCOCC(F)(F)C(F)F)CC2)c1C#N 1492728255 YFIPDYUIIHCSIU-UHFFFAOYSA-N 444.437 1.744 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1503729544 WWYFXLNBXOCJQU-JOCHJYFZSA-N 425.537 1.357 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1507633349 RTSWATJXSNKACJ-JKSUJKDBSA-N 433.559 1.274 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(=O)Nc1c(C)cccc1C 1507701787 AXHRDANIXICWPL-UHFFFAOYSA-N 426.521 1.758 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNC(C)=O)CC1 1507721591 RFYNRGCJWYODTJ-UHFFFAOYSA-N 426.521 1.244 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1507771849 FACRNLASWNGJSL-WIYYLYMNSA-N 445.545 1.722 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](COC)C1 1507774756 BNEPQRRWLLQDEA-AWEZNQCLSA-N 430.347 1.957 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2cnnn2)CC1 1507878421 WYKJOEKDGFQWOK-UHFFFAOYSA-N 428.522 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC(C)C)CC1 1508073310 JLWNBQSILNKBDY-UHFFFAOYSA-N 447.971 1.843 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)N(C)C)C1 1508113465 YMXLZXBFIIHZAA-INIZCTEOSA-N 435.550 1.626 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCOC2)C1 1508117293 MUKWZZFJNNXUDW-JTSKRJEESA-N 430.505 1.895 30 10 IDEE C=CCSCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508167772 LDYWMLARUZMRQO-QFBILLFUSA-N 444.623 1.861 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1508416017 DAQFODZLWNHXIZ-RHSMWYFYSA-N 425.493 1.351 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1=O 1517408354 XXKZGDACYVYLDS-LAUBAEHRSA-N 442.545 1.308 30 10 IDEE CS(=O)(=O)NCCCn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1519605564 DAAKXXSNEHMRQO-HXUWFJFHSA-N 434.541 1.835 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)C2)nc1 1523932720 GHNAGOUEOUGCSE-PMACEKPBSA-N 436.468 1.971 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 1523933033 IXZAJWRKIJAUAC-DLBZAZTESA-N 428.489 1.513 30 10 IDEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539134589 XOGIYDDHENRMMN-UHFFFAOYSA-N 428.581 1.405 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC[C@H]2CCCCO2)CC1 1539466973 KMIHQPORCUVJAL-LJQANCHMSA-N 444.580 1.731 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[S@@](=O)CC)CC1 1539475656 LMPNHSKOOBXMJP-HKBQPEDESA-N 443.573 1.688 30 10 IDEE C#CCSCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539530903 PCVFSQWCCMDZOB-AVRDEDQJSA-N 447.605 1.886 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539611973 FVHJSLGGFRDKLY-BBWFWOEESA-N 437.566 1.119 30 10 IDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540007831 ZJRHJYZIHXTURF-UHFFFAOYSA-N 425.537 1.403 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1540869685 UPQDBGPGLVFTAO-RDJZCZTQSA-N 441.511 1.386 30 10 IDEE COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 1544208598 WCMVOAYIZWGVBR-UHFFFAOYSA-N 430.324 1.445 30 10 IDEE CN1C[C@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1554353394 XLMZDPUFLQIINC-HSZRJFAPSA-N 444.499 1.912 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NN2Cc3ccc(Br)cc3C2=O)c1 1559016941 RTSTYTURYMMPGD-UHFFFAOYSA-N 449.286 1.286 30 10 IDEE COc1ccc([C@H]2CCCN2C(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)cc1OC 1559452822 AZNDGRKJUKDYNZ-GOSISDBHSA-N 438.484 1.906 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CCCOCC(F)(F)F)CC2)c1 1559497714 IRSYEQJECKFKDN-UHFFFAOYSA-N 426.439 1.903 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)n(C2CCCCC2)c1C 1560169791 WMUXYEPTSNUOKF-QGZVFWFLSA-N 434.566 1.255 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 1585535577 ZPFKPPONKAYXBR-FGTMMUONSA-N 445.321 1.759 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCN(C3CC3)[C@H](C#N)C1)N2C(=O)OC(C)(C)C 1587317009 FUEDRPURNMEPMD-RSJGLCBASA-N 432.521 1.372 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1587640761 VABATCRWCLYYIK-JKSUJKDBSA-N 430.513 1.336 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588045777 QKZPSUBFMSUWSC-KGVIQGDOSA-N 444.557 1.420 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1588064516 JPJDTNKEHSFKKD-LJQANCHMSA-N 445.589 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588148936 BDCDRXXUUAJJQO-UHFFFAOYSA-N 445.527 1.591 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CCOC2)CC1 1588732789 GEUDYYSQGQFPAU-HSZRJFAPSA-N 438.532 1.054 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588876943 OVQCYBGITFNZOQ-LVBDUCALSA-N 431.581 1.492 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1588947296 MQGKKQURANQJSL-OAQYLSRUSA-N 444.624 1.943 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589288038 HXPISOXRGONCKD-GFCCVEGCSA-N 436.376 1.584 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1589381549 FNYUCZFHAWCPLY-INIZCTEOSA-N 447.341 1.998 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1594720533 OMCJPELJSRTXOS-UXHICEINSA-N 445.612 1.427 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595556161 PPSXSIBGKBUSSY-RDJZCZTQSA-N 428.924 1.539 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595602134 FLRXWZGTZLMTRC-MRXNPFEDSA-N 437.566 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cncn2)C1 1595799089 XDTGPZJXPUGZII-IRXDYDNUSA-N 435.554 1.554 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595799304 YOQUGXGUNLWAHH-JKSUJKDBSA-N 446.595 1.134 30 10 IDEE CCn1c(NC(=O)CCn2cc(C#N)c(O)nc2=O)nc2cc(Br)ccc21 1596537592 ATLRLVXNBLKSHP-UHFFFAOYSA-N 431.250 1.981 30 10 IDEE CCCCn1c(N)c(N(CCOC)C(=O)CN2Cc3cccc(C#N)c3C2)c(O)nc1=O 1619411047 QGDWDGSMQPPYOM-UHFFFAOYSA-N 440.504 1.198 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619602178 DAFTXKWTNGAFJW-OALUTQOASA-N 441.536 1.774 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)C1 1620347890 GCIVDQVJCIDKJW-INIZCTEOSA-N 436.385 1.759 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccccc2)C1)c1cc[nH]n1 1628056415 UYTFYFCWAYKDGT-JKSUJKDBSA-N 428.445 1.109 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1628661923 GHGGVJDCCWDGML-HEBQGLKUSA-N 446.507 1.853 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 1630055165 OQHRMAGCFSPMCZ-UHFFFAOYSA-N 443.569 1.908 30 10 IDEE COCCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1631259873 DDSXVIGJOKGHAB-HZPDHXFCSA-N 431.555 1.626 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](c4cc(O)nc(O)n4)C3)CC2=O)cc1Cl 1631833225 VRULQAWTNOLCCF-QWHCGFSZSA-N 427.848 1.782 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)s1 1632434499 NPKZVNNBAUQGCF-HZPDHXFCSA-N 426.560 1.742 30 10 IDEE C=CCn1ncc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)cc21 1636357756 HUYKLLZRZBQYPY-UHFFFAOYSA-N 439.497 1.595 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(Br)cc4nc(O)[nH]c34)C[C@H]1CS(=O)(=O)C2 1636512934 WJXQJVTVEYGEJQ-VXJOIVPMSA-N 425.264 1.041 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@H](C)C1 1637460969 PREHFCPMNYFYAB-ZRSCRABMSA-N 448.564 1.869 30 10 IDEE COC(=O)c1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c(Br)c1 1638649267 DXGJXHZKDJOCKR-UHFFFAOYSA-N 435.234 1.076 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 1639116457 VWLIFDDYQJTQDQ-HOCLYGCPSA-N 434.518 1.383 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)c1 1639125900 CDBQTBKSDIIZGD-UHFFFAOYSA-N 428.514 1.686 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)CC1 1644282043 QWDUUQUFTXGUHB-UHFFFAOYSA-N 436.534 1.027 30 10 IDEE CCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nnn1-c1cccc(Cl)c1 1648790258 BZMQZPMYSIZSPN-UHFFFAOYSA-N 425.836 1.314 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccccc2S(C)(=O)=O)s1 1651558271 WXUVPJBAGBYKPC-UHFFFAOYSA-N 442.584 1.517 30 10 IDEE Cn1c(=O)c(C(=O)CNC(C)(C)c2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 1659393789 CXUPHWNTMOQZQQ-UHFFFAOYSA-N 431.496 1.757 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2ccc(C(=O)OCC)cc2Br)nn1 1662631176 CGPJTERXVLKXJR-UHFFFAOYSA-N 429.296 1.882 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)ccc1OC 1678730610 ADIRGWSYHSKLMH-INIZCTEOSA-N 436.534 1.696 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCC1 1689840345 XWVGBYMBCYFJLE-HNNXBMFYSA-N 440.533 1.346 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1689945162 BEVNUQVNXDAMNW-KRWDZBQOSA-N 430.578 1.996 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689980830 XZGXMVLWBXDTFT-GOSISDBHSA-N 449.621 1.995 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689988873 XTQWKOFEZFVIIV-KRWDZBQOSA-N 431.493 1.560 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1690077083 IHCJPWWAZBARNO-IAGOWNOFSA-N 432.550 1.040 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(C)cn1 1690100925 ICJRXLVZMFNLFB-UHFFFAOYSA-N 432.488 1.885 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2CCS(=O)(=O)CC2)CC1 1690131300 XMVLMKWSDXKXBF-UHFFFAOYSA-N 433.603 1.510 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690188720 NXUKTAKRZPHYKN-MUGJNUQGSA-N 449.621 1.525 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690234561 IISGXCUZGROJFU-BPUTZDHNSA-N 442.358 1.968 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1690341139 GSCUSDPSUMHHHB-UHFFFAOYSA-N 427.896 1.925 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)C1 1690686433 NYVBWACWFSLHND-HOCLYGCPSA-N 449.533 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS(=O)CC2)nnc1C1(c2ccccc2)CCC1 1690731905 SQCVPAJSRMIVCN-UHFFFAOYSA-N 448.614 1.918 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1692658484 XQUBGKZOYASUAA-CYBMUJFWSA-N 438.941 1.672 30 10 IDEE Cc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693511464 MWRLXOTXMOINOC-VXPUYCOJSA-N 443.458 1.718 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1)S(C)(=O)=O 1695737546 BWKUQBIBIYVSOZ-SFHVURJKSA-N 446.577 1.961 30 10 IDEE CCOCc1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696291805 VXFSPKKGSDPRGA-PNBGARPFSA-N 444.536 1.736 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1696988623 FXEMEMHDIPWDCA-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1705479278 GXMUHEXEXNOGOG-GFCCVEGCSA-N 433.314 1.668 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1705632384 OJFNSOUDTWLWMW-NRFANRHFSA-N 437.592 1.783 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705761819 BPZSDVWHBRXEBV-ZPHPHTNESA-N 425.493 1.197 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)NC)CC1 1705776421 FZOXNQOXWLEAJA-LJQANCHMSA-N 427.571 1.270 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1706218533 IAAGQRXMLIVQNA-RBUKOAKNSA-N 435.532 1.836 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C)C1 1710902840 CCQGJCULKWZJAU-INIZCTEOSA-N 432.550 1.904 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1722346811 ANSPKZNXAPMFDP-FQEVSTJZSA-N 435.536 1.347 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1722397383 QBIIREJGEKPMBB-IBGZPJMESA-N 441.557 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722495787 YZGKXIBQLSIQRO-PNLZDCPESA-N 430.553 1.458 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722522457 QNDBNOKHOZEVMY-GOSISDBHSA-N 442.495 1.672 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1722537514 BUODWYBUGWTLLO-OALUTQOASA-N 435.569 1.899 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1722581571 DWGUMZKWFZKZJD-NVXWUHKLSA-N 440.614 1.843 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722699003 QIIKDDRVDQUPIY-NRFANRHFSA-N 449.559 1.668 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1=CCCOC1 1723911242 NQXJZVCJWVXLRB-OAHLLOKOSA-N 430.534 1.743 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1Cc1ccc(C#N)o1 1723945118 SDTQQURSMJFMPF-VBQJREDUSA-N 434.522 1.407 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H]1C 1726771588 HNZQXKLMXHABFN-XHWSFILQSA-N 432.550 1.986 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1729375758 HPHOIGZRQFIGKW-ZWKOTPCHSA-N 426.521 1.708 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1730418340 FXGPOGXMXUNDHJ-UHFFFAOYSA-N 434.504 1.317 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCS(=O)(=O)C1 1730933866 WGZUAQFHNDGBNK-QAETUUGQSA-N 425.555 1.423 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccn1C(F)F 1740602221 IFNFWWMNMNHZOM-UHFFFAOYSA-N 449.487 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC 1740633474 JHVDAFIQSWORQY-UHFFFAOYSA-N 436.335 1.330 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1740661812 JYMLXFMXKQUODN-MRXNPFEDSA-N 432.550 1.086 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1740900304 PCZQWMHGVLEPGO-SJORKVTESA-N 440.614 1.354 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1740934762 PXLLWEZSOGKYCV-JOCHJYFZSA-N 428.537 1.409 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCN(C)CC1 1740936738 HJLYOTUIKUJUKP-UHFFFAOYSA-N 436.626 1.980 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1740993112 SWIHLVWAFARWAB-KRWDZBQOSA-N 431.562 1.445 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1743402126 LIDOCCWBMYSLEG-LZICOFPGSA-N 429.525 1.423 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748686713 UYUCUXMIBDNZTH-MRXNPFEDSA-N 443.529 1.126 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1748814993 MPHPBILCSOXYBF-KRWDZBQOSA-N 439.545 1.365 30 10 IDEE C#CCN(CCOC)c1nnc(CC2CC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748964287 BFNFPDJVBKKCHO-UHFFFAOYSA-N 436.560 1.665 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1748971609 WVJIRILFTUZEPQ-HXUWFJFHSA-N 440.523 1.796 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@](C)(O)CCOC)CC1 1749009435 ALVDZWPSVZFFOF-QHCPKHFHSA-N 443.523 1.838 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)C(=O)NC)CC1 1749011085 UCYLXXAXGPXLLD-UHFFFAOYSA-N 436.560 1.992 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)OCC)CC1 1749015455 DVWHOFXISXKYSB-UHFFFAOYSA-N 441.580 1.921 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749131782 VORWPPRYSGUJOS-KSZLIROESA-N 439.582 1.235 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1749159138 PPJPHVJIUQCPBX-MOPGFXCFSA-N 439.626 1.939 30 10 IDEE COC[C@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749369970 IDYVCTDIQIEPCL-LJQANCHMSA-N 436.495 1.842 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1749637016 FRQQCCUGOPUDSF-QGZVFWFLSA-N 434.504 1.833 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749677191 QTGACTHJAJHACD-LJQANCHMSA-N 443.552 1.080 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750049315 HILHHZBBUXKGPB-RJCBAWPRSA-N 430.509 1.314 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)NC(C)C)C[C@H]21 1750158433 LHDKKQLBEAFLRQ-XUVXKRRUSA-N 438.532 1.972 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1751094664 MQMAAJHIQUVLKG-BRSBDYLESA-N 436.582 1.725 30 10 IDEE Cc1coc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751736475 DQYHPOBVUIGWRZ-SFHVURJKSA-N 448.549 1.609 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1760115640 BBSIRBLAEZAANE-WBVHZDCISA-N 433.603 1.758 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760185315 VFEAIXJUWCBEBT-SFHVURJKSA-N 445.589 1.996 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760187089 HRQJKBSONKPXSI-AQNXPRMDSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CCC1 1760207388 HGJCKCNLZSIRBL-GDLZYMKVSA-N 429.571 1.644 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCSC2)n1 1760251898 GZROTRMYWJROTL-NRFANRHFSA-N 441.561 1.624 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCS(=O)(=O)CC)CC1 1760264065 ADQWSMSRLJVRRJ-UHFFFAOYSA-N 445.589 1.609 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760356436 NHDQHZHWMYLOKV-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1760451041 YNTVYWSLGHPEJM-INIZCTEOSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1760521675 AQMKFEJYCNUUFV-ICSRJNTNSA-N 441.532 1.888 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1760533904 PBAHUBQEGIFINR-ZCNNSNEGSA-N 446.596 1.795 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1760553475 DEAMMWMGNUCBGM-MRXNPFEDSA-N 445.545 1.879 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1760558559 SFISBMUOEXCQTP-ARFHVFGLSA-N 439.582 1.109 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1769718088 JSLLUINPGSKEGS-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1770159608 LAZNACOYMLTQQQ-NRFANRHFSA-N 426.477 1.511 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)C[C@H]1OC 1770296214 CWGADEHHLPEICO-OYRHEFFESA-N 440.548 1.779 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1771222753 LVFQEFGUZKOHSG-APWZRJJASA-N 427.505 1.908 30 10 IDEE CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1772864522 UXONUNNIGNLOAT-UHFFFAOYSA-N 448.535 1.521 30 10 IDEE C=CCN1CCN(S(=O)(=O)C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC2)CC1 1848538991 AADICFGLMGXLGZ-UHFFFAOYSA-N 431.555 1.063 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)[C@H]1CCN(C)C1=O 1848937095 VXSOGDDDNMCDBE-DLBZAZTESA-N 443.928 1.878 30 10 IDEE CC(=O)c1cc(C#N)c(N(C)C(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)nc1C 1851668943 VUBJTGYCPWDHIQ-UHFFFAOYSA-N 440.525 1.971 30 10 IDEE C#CC[C@H](F)C(=O)N=c1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2[nH]1 1852639694 PYGPXYGFDMBKIG-SFHVURJKSA-N 440.454 1.527 30 10 IDEE C[C@@H]1CN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)C[C@@H](C)O1 1869951550 WBENYRLKTUUABM-CPUCHLNUSA-N 444.517 1.375 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618885 NWSZBIGHKIOSCN-UHFFFAOYSA-N 438.580 1.448 30 10 IDEE C=CCn1c(C(=O)NCCCOC(C)C)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873593148 HEQQLYAJNBVKPN-UHFFFAOYSA-N 428.537 1.864 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCN3CCOCC3)ncnc21 1875227971 TVIURNMLMJQMGK-UHFFFAOYSA-N 446.552 1.096 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 1993260286 UACKPBDLQJWQTH-AWEZNQCLSA-N 431.505 1.894 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C1 2006262865 IWLXIMOTKHEVNV-CYBMUJFWSA-N 427.361 1.919 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243422550 HOBFFCVYWLOZGE-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248401379 ICYNRQLJNKIYPL-GFCCVEGCSA-N 438.359 1.845 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248432622 YOIWUFADAIDRTD-NEPJUHHUSA-N 439.343 1.921 30 10 IDEE CC(C)[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255653717 NCPNKJVQLDZKDQ-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267118108 HZWFZKHADHLRPV-SFHVURJKSA-N 439.369 1.708 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167659 JKAWSYVFLYNCFI-DGCLKSJQSA-N 442.247 1.447 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2269706615 BXQDTSTZMUAKAD-QFIPXVFZSA-N 449.357 1.695 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@]2(Cl)CC2(F)F)OC1(C)C 2282845829 ZPVXFPMQEKAOOR-CYBMUJFWSA-N 428.719 1.878 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2329035235 PIAFHNHCNDCLRO-ZDUSSCGKSA-N 433.490 1.561 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2337247915 TZPKMBFSRLJJSA-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE N#Cc1ncc(C(=O)N2CCN(Cc3ccccc3I)CC2)cn1 32945 OBIQFAGIQPREHC-UHFFFAOYSA-N 433.253 1.911 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 46791600 BRPUAAGYEJSMCF-IAGOWNOFSA-N 442.541 1.537 30 10 IDEE CN(C)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254371901 HWZDHWODRQMPTN-HUUCEWRRSA-N 425.532 1.609 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)o1 480928996 CMOVFXZDRBWMHU-UHFFFAOYSA-N 448.504 1.538 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 481036429 NZNPEHSXXYKGJK-AWEZNQCLSA-N 440.547 1.404 30 10 IDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@H]2c2nnc(-c3cccs3)o2)n1 506546342 GSLLFYQTGMUHQH-ZDUSSCGKSA-N 441.473 1.986 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508844289 HYZARHDSTCDFLL-MRXNPFEDSA-N 449.515 1.855 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)c1 532900767 SUMUNWLMJBWNJF-OAQYLSRUSA-N 441.576 1.415 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)CC1 604198195 YBHSNQZYSNDUFD-UHFFFAOYSA-N 432.912 1.562 30 10 IDEE COC(=O)CCN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610799651 KHSORLIRGZBPHW-INIZCTEOSA-N 429.498 1.817 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(C2CCN(C(=O)C(C)C)CC2)C1=O 726111850 DXXQIAPZZSLHDB-UEAMBXKFSA-N 445.589 1.707 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCC(C)C)C1=O 726404304 VUIIWNJUVVULIU-BWORXHKJSA-N 440.591 1.706 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 735403837 ATSDLIKAJQYHRR-IBGZPJMESA-N 427.482 1.753 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 745814469 ZVBCBDWPPQOKJS-PVEMMZBWSA-N 445.442 1.345 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1C#N 755298242 YPIWTDMADXYVBD-UHFFFAOYSA-N 428.470 1.262 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(F)cc2F)C1 760318797 STPYKEHRFPFWCF-IUODEOHRSA-N 439.488 1.836 30 10 IDEE COC(=O)c1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)ccc1Br 775136134 OIYXNJZGZGRZDP-UHFFFAOYSA-N 446.261 1.669 30 10 IDEE COC(=O)N1CCC[C@H]([C@@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 775819082 ZWVSKWPNGQJKJH-FGTMMUONSA-N 433.578 1.913 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n1 788569008 PRYNHIYQQRMKNQ-UHFFFAOYSA-N 425.489 1.669 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)n1 788690674 XKBNNLIDDGXDRO-UHFFFAOYSA-N 437.508 1.369 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N([C@H]2C[C@@H]2C(F)F)C1=O 807937221 YMPHRFDBLHRLRG-VIOSCLIBSA-N 439.532 1.646 30 10 IDEE Cn1c(N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 813628137 NVGCKQASDQKFJA-PKOBYXMFSA-N 437.500 1.487 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnccc2C#N)CC1 814145943 RMSVDTWUDKUWOU-MRXNPFEDSA-N 431.493 1.448 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCCCCn2c(S)nc3ccccc3c2=O)CC1 816289301 CDUGOZYYYBXBAT-UHFFFAOYSA-N 427.530 1.830 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)c1C#N 856684952 MJXQBOSHPQBDCE-UHFFFAOYSA-N 430.534 1.368 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)c3ccc4c(c3)OCO4)n[nH]2)cn1 1084135626 CAXGATWEJZFHFM-UHFFFAOYSA-N 429.462 1.797 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)c1 1125488710 ATQUAMYAAYVPID-HXUWFJFHSA-N 441.528 1.133 30 10 IDEE N#C[C@@]12CN(C(=O)COc3cccc(I)c3)C[C@H]1CS(=O)(=O)C2 1134055644 CMCPBACJYZSMRN-NHYWBVRUSA-N 446.266 1.067 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3C[C@@H]3CCCO3)CC2)cc1 1134533586 JSPBZZKNVVLPDR-UXHICEINSA-N 447.557 1.755 30 10 IDEE C[C@H](CC(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1138619518 QDFOHGLHAOZFFF-KURKYZTESA-N 447.605 1.179 30 10 IDEE CCOCCOC[C@@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1139766728 RAQJZNASEBPSDI-NHUHVJRWSA-N 425.526 1.303 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)C1 1158832059 OGTLLGQNOIDARB-KRWDZBQOSA-N 438.347 1.793 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)CC1 1234607164 AENSZLLQYNDRAD-AVAKVYKDSA-N 425.493 1.774 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286323153 GJHGZMUYLXUPLY-MSOLQXFVSA-N 427.553 1.615 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286390280 ZYAALAWEMYAOQS-MSOLQXFVSA-N 447.561 1.486 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccc(C)cc2)CC1 1286482134 MKJUYLAGOHGHRF-UHFFFAOYSA-N 443.555 1.758 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1286488356 XMGNBINJHRXUKZ-UHFFFAOYSA-N 431.544 1.878 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286791222 VBMIZJULGMKDHH-QGZVFWFLSA-N 442.545 1.207 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1286792977 NXLHCONIQUVJPE-UHFFFAOYSA-N 426.521 1.388 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CS(C)(=O)=O)CC2)C1 1286798271 JDNWOPDMEGKYQO-OAHLLOKOSA-N 425.555 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cl)=C(Cl)C1 1286819710 SXSNIZMINOLUMB-ZDUSSCGKSA-N 434.349 1.729 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1288724446 AMPVNHVBKYPUTB-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1291205797 OABHKSUCGOKZFC-IGGDJGDASA-N 444.536 1.702 30 10 IDEE CCn1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)c1=O 1295949567 JEKSZPPLJHOQDQ-QGZVFWFLSA-N 425.518 1.593 30 10 IDEE C#CCCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OCC)CCOC1 1300425752 WUMLQRCHMANLRT-QFIPXVFZSA-N 425.537 1.769 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300479367 MPTBVOXQFHJRPU-QGZVFWFLSA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1300489346 MOOYSKMLXMNBQH-GOSISDBHSA-N 449.964 1.751 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1300495118 CXJVBUNHYLLSSQ-RTBURBONSA-N 429.546 1.551 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1300515836 BLBASEXMYIFLSL-VZCXRCSSSA-N 445.439 1.453 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1300534619 CNNVLQIZPGVTJA-GOSISDBHSA-N 442.564 1.944 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1300544915 DFHKISCWILMLCR-UHFFFAOYSA-N 441.557 1.180 30 10 IDEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)NC 1300559437 PTPLPWDIRXYNGJ-UHFFFAOYSA-N 425.558 1.760 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1300630516 CTHWIQRAYHBVIY-GOSISDBHSA-N 429.546 1.872 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1300671332 HVCSUPWDURVNBZ-GOSISDBHSA-N 443.523 1.892 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2CCN(C(C)=O)CC2)CC1 1300693484 ZINBDJDVMXANDM-UHFFFAOYSA-N 436.560 1.967 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1300806441 VLKSSCYCOHIUSX-MAUKXSAKSA-N 440.591 1.140 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301506946 SKSUKJDMDKCQLL-SFHVURJKSA-N 442.539 1.469 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301557984 SCORDUYWTXZZRN-RCCFBDPRSA-N 439.582 1.377 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1301579574 WONLHFSFLFLJFT-UHFFFAOYSA-N 446.577 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCCCC2)C1 1301585559 MXWPPMJTRXJWMN-MRXNPFEDSA-N 437.566 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C 1301595879 CWCAZPVXVGWFMP-OAHLLOKOSA-N 432.612 1.580 30 10 IDEE COCCOc1ncccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1302140561 OBKSLXXTASEYPM-LJQANCHMSA-N 435.488 1.461 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCOCCCO)c1 1302989326 KMVOPJPBSLDZFO-MRXNPFEDSA-N 425.411 1.983 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC(C)C 1303402312 IAWJEHAQGTXESV-UHFFFAOYSA-N 440.552 1.825 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1315102535 HZMOUYQVSPDCSG-LJQANCHMSA-N 436.516 1.990 30 10 IDEE CN1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 1319704748 QWGSVKATIXHCPD-PXNSSMCTSA-N 430.505 1.816 30 10 IDEE C=CCO[C@H]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)C1 1323783678 QIKHHHBIGSUOGT-SFHVURJKSA-N 431.514 1.986 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1357851537 JUHLGRWKPWRZDS-KRWDZBQOSA-N 438.550 1.977 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1358939224 SHEDHMOMLQSNHB-HNNXBMFYSA-N 436.509 1.566 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1358956320 DKQOCWGAUWQTCN-APWZRJJASA-N 442.969 1.698 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1358960490 FWSBBZIFOBDTNJ-KRWDZBQOSA-N 436.607 1.839 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1358961868 GPFLJYZOWSFFPE-IBGZPJMESA-N 441.557 1.514 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358965010 MCYUNPAGGTZYJS-DLBZAZTESA-N 437.591 1.686 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCSCC1 1358989034 MYWYRARSPNVBJP-UHFFFAOYSA-N 447.572 1.433 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC2(C1)OCCO2 1359027306 DRQJLKBAVZDAAC-QYZOEREBSA-N 434.537 1.631 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CCOCC2)CC1 1359044403 FPOQEWHKQASPCM-GOSISDBHSA-N 447.605 1.660 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359056503 GNCWIXUCEFCRIJ-WOJBJXKFSA-N 432.638 1.755 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359132251 RMJMOXZTRPXBRC-OALUTQOASA-N 443.552 1.541 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1359286546 AHPDNVFHKKCCEB-LJQANCHMSA-N 426.521 1.625 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1359291195 HVGFIRQQUNSGIZ-QFIPXVFZSA-N 439.520 1.151 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1cnn(C)c1 1359334198 WVIFAOMLBSGZFQ-IBGZPJMESA-N 441.561 1.940 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)n1 1448864034 ZCLLXXNPOQAVIR-GOSISDBHSA-N 428.493 1.706 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1464589196 HTYWNZUBVFHLNG-LJQANCHMSA-N 438.546 1.757 30 10 IDEE C=CCc1cc(CNC(=O)NCCc2nnc3c(=O)n(C)ccn23)cc(OC)c1OC 1468363113 KUCTVBUDAVHJTD-UHFFFAOYSA-N 426.477 1.216 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1471936083 SWRCBXDOHPBVBZ-HNNXBMFYSA-N 440.518 1.539 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3[C@@H]3C[C@H]3CF)CC2)c1C#N 1492726933 BMOSNVBGVBXCTK-GOEBONIOSA-N 429.504 1.187 30 10 IDEE CN1C(=O)N[C@H](C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)C1=O 1503643801 XIZQQYJKQSDJCA-QGZVFWFLSA-N 437.504 1.354 30 10 IDEE COC1(C(F)(F)Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1504010142 HYWSDJAMPWEWSZ-HNNXBMFYSA-N 440.495 1.941 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504575102 CHFGEFBDPWOWDR-CRAIPNDOSA-N 428.541 1.652 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(N)=O)cc2)C1 1505317252 FDQVCSAABKRHLF-FQEVSTJZSA-N 426.456 1.381 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507629685 WAUQZAPGWUURCC-MSOLQXFVSA-N 431.493 1.428 30 10 IDEE C#CCN(c1nnc(CC)n1CCCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1507633805 IEJSCFVCBRMPIV-OAQYLSRUSA-N 441.601 1.916 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC[S@@](=O)CC)CC1 1507731756 CGSJKFLFAHCXIC-PMERELPUSA-N 429.590 1.943 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCCC2)CC1 1507732157 CQUUDOQYLLDXOV-SFTDATJTSA-N 430.597 1.633 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507744917 YBLOOSBOGVOMQD-HNNXBMFYSA-N 443.533 1.569 30 10 IDEE C=C(Br)Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1507778714 GCUAXCASEPZSAO-UHFFFAOYSA-N 444.131 1.891 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1512389908 HRLDDFYVPDSIAZ-QGZVFWFLSA-N 448.531 1.762 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1513056423 BSNIZVKGUZOFON-RDJZCZTQSA-N 432.550 1.819 30 10 IDEE COCCOCCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519403980 HGELLHFLZVVTIP-UHFFFAOYSA-N 428.541 1.449 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C3CC3)n2CC(=O)NCC(F)(F)F)CC1 1521111557 ZNAJKSHEEMNUJI-UHFFFAOYSA-N 434.426 1.427 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539221622 QRVIEGZPMNXFTP-KURKYZTESA-N 447.561 1.305 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCSCC2)CC1 1539453585 MOVXPEKUKWJZSG-UHFFFAOYSA-N 428.581 1.812 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1539566433 KAVRVWOAYCZJIV-NHCUHLMSSA-N 428.562 1.328 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)C(=O)C1 1539758295 JUSOCVVTDRAATP-UHFFFAOYSA-N 444.561 1.673 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539804432 VPKDNQVZJOFQHD-JKSUJKDBSA-N 439.973 1.983 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1539944874 HRWIHQCEQMLALR-KRWDZBQOSA-N 426.583 1.904 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1540151377 GXJLGEWEXVMOGQ-LJQANCHMSA-N 445.593 1.669 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1540871863 VTGKFDIVVDEZCS-IEBWSBKVSA-N 433.553 1.639 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1540875192 DFZVYPHKFFEAOW-UHFFFAOYSA-N 433.601 1.112 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1540991291 KTNIGLGDNSQTEF-MVZUJROASA-N 443.552 1.450 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1541888500 CRDKFLLBPUUJTF-SIFCLUCFSA-N 433.534 1.226 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 1545824344 VCFGRICUQZXYFY-MRXNPFEDSA-N 433.287 1.980 30 10 IDEE CCc1nnc(N2CCN(CC(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546537063 FYWFISRJVCSACX-NXVVXOECSA-N 427.431 1.051 30 10 IDEE CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643255 QBXNWMMXHPZTPA-ZSOFBXJNSA-N 435.502 1.511 30 10 IDEE CCOC(=O)c1c(NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c(C#N)cn1CC 1562960228 GWNUBXLCXVKEFF-UHFFFAOYSA-N 439.538 1.187 30 10 IDEE CCNS(=O)(=O)c1cccc(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 1563913880 HPMPPBLXFDSABH-UHFFFAOYSA-N 442.545 1.720 30 10 IDEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCN(O)C1=O 1569564108 OIEXGZGUJJRZNV-TZMCWYRMSA-N 433.324 1.149 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1587639312 KWDKVHPZHRJLPU-SJLPKXTDSA-N 432.546 1.712 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1587879138 OCWBIGZRTWWVMV-HXUWFJFHSA-N 438.580 1.296 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588054192 LIUCTXDFJBMQIH-QZTJIDSGSA-N 436.578 1.963 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1588054616 OKTFKMWIZMFEEK-PKOBYXMFSA-N 429.546 1.898 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNc1nccc(C(F)(F)F)n1 1588159248 STHNBHRSVUBLEU-UHFFFAOYSA-N 446.437 1.394 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCO[C@@H]2CCOC2)CC1 1588913155 AFKHADXKOBZVGU-LJQANCHMSA-N 440.548 1.445 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589460487 QNSFVBKIAKPMPT-CQSZACIVSA-N 448.387 1.898 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589567581 FQHBIYGEKYYTOH-OPYAIIAOSA-N 446.596 1.585 30 10 IDEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1593769779 RJIJPFINGRCWBT-BWAGFHJFSA-N 436.553 1.907 30 10 IDEE C=C(Cl)Cn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1593889173 CBHSFWVFXRVPBD-HZSPNIEDSA-N 445.973 1.720 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 1594992743 QPJZPVCYXRUONE-NRFANRHFSA-N 426.565 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCS(C)(=O)=O 1595490276 OIBLRLGCGATKCA-UHFFFAOYSA-N 443.533 1.118 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595551962 YTRHPUMKTRTFHR-INIZCTEOSA-N 437.566 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)NC)CC1 1595805783 USHNXQOBPPVTPI-UHFFFAOYSA-N 446.577 1.240 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1596450025 WQBUZEMCDHBTAX-JVMRMLDLSA-N 429.525 1.108 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1596951434 HNCRSHNVVIAUMC-OAHLLOKOSA-N 426.477 1.565 30 10 IDEE CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1597839510 ABOYFRQIDMWOBU-KRWDZBQOSA-N 429.546 1.992 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)CC2)C1 1598208630 OXMGGSOIFOGZPF-GOSISDBHSA-N 434.514 1.622 30 10 IDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1608104320 LEGWWYJHOXRAIA-UHFFFAOYSA-N 436.530 1.372 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCCC2)n1 1612502148 CXHMKOJWHXRHAE-IBGZPJMESA-N 440.552 1.661 30 10 IDEE CS(=O)(=O)N1CC[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1631791232 XRVXYOPWQOCCLI-GFCCVEGCSA-N 441.351 1.155 30 10 IDEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1636622137 GRVHFCDLLFOMRL-GFCCVEGCSA-N 438.855 1.870 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C1CCOCC1)C1(CO)CCC1 1639198397 HVIHKFMOXOGBDT-IBGZPJMESA-N 435.546 1.189 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCS2 1640198962 ASIXOXLOFQPOLK-MLZJXEJWSA-N 437.543 1.059 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1645085006 IJBPPIXSLZJSMN-SFHVURJKSA-N 443.529 1.595 30 10 IDEE N#Cc1cn(C2CN(C(=O)CCCOc3cccc(Br)c3)C2)c(=O)nc1O 1648028668 JSDFYZMAULIGPI-UHFFFAOYSA-N 433.262 1.826 30 10 IDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1648118280 CRIPFAYVBOEVSQ-INIZCTEOSA-N 428.493 1.186 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)nc1 1689826556 QIFJMEMFJRZNOK-HOTGVXAUSA-N 433.582 1.636 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1690047397 QBGNVDJTZKBDRS-IBGZPJMESA-N 426.542 1.894 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1690077068 HYUZQHCSAHBEDA-ZWOKBUDYSA-N 439.582 1.418 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1690092732 SZWTXOREEFSFFV-KRWDZBQOSA-N 448.568 1.902 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(N(C)C)CCOCC2)CC1 1690128554 GAJYTBXHADSTQE-UHFFFAOYSA-N 428.606 1.796 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1690620172 SLLIGVOSILVCQG-NRFANRHFSA-N 447.609 1.525 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690627596 JGLSGFXUSOLKDP-INIZCTEOSA-N 429.912 1.604 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690676114 QFWXLDAWMOPHJG-SFHVURJKSA-N 440.548 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690720825 STNCLDJRFLUGAN-KRWDZBQOSA-N 446.577 1.826 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690744299 MCPIONVDSJHDLM-FRQCXROJSA-N 442.607 1.484 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3cccc(C(=O)N(C)C)c3)CC2)c1C#N 1693405698 DEDOUUGKKSXBKH-UHFFFAOYSA-N 447.547 1.577 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1695019509 WDIUBFDPKOWJNK-QQMHEVNUSA-N 443.552 1.813 30 10 IDEE COC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1697091032 ASQSKGMQUJUAMK-LJQANCHMSA-N 437.548 1.848 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1698060540 CAHPIKSIMXCUIQ-SFHVURJKSA-N 449.519 1.738 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1705477588 PZZVSRRLCYQCFC-HDMKZQKVSA-N 436.557 1.788 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)CC)CC1 1705633363 PJTATUFKLARASV-QGZVFWFLSA-N 449.552 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1705644695 ZHWKRDFXKUXTKC-RTBURBONSA-N 444.580 1.443 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1705667222 KISPDZKGNXRPET-WMZHIEFXSA-N 429.613 1.682 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705676185 QRKGSQJYANUJRW-WIYYLYMNSA-N 428.562 1.680 30 10 IDEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705832120 NOZGJNCDFXAQJP-KRWDZBQOSA-N 430.484 1.803 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](OC)C(C)(C)C1 1705901463 MFQFZHAWNKKVDT-MRXNPFEDSA-N 437.504 1.757 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1C(C)(C)C 1705909402 WENMDXNOQXFWJZ-UHFFFAOYSA-N 428.541 1.393 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1709938259 KYFDWJIOWUOFRB-RXVVDRJESA-N 445.545 1.636 30 10 IDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1710543729 OYCPZDXLOXVURK-FRQCXROJSA-N 440.504 1.824 30 10 IDEE CCOCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1710627333 FRZNEGTUIIDHMB-HOTGVXAUSA-N 442.586 1.270 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1722352289 HNQKXPYUXWWQCP-UHFFFAOYSA-N 426.502 1.488 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722367325 MQWCJVLPGZPPLT-IAGOWNOFSA-N 432.546 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1722392973 XKLMOXBVBKKQDE-HSZRJFAPSA-N 449.536 1.506 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N(C)C)CC1 1722441851 VSLKTUHEBXCWDM-MRXNPFEDSA-N 431.585 1.112 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)NC)CC1 1722442937 JFQAJPLTOARQAI-UHFFFAOYSA-N 428.924 1.700 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(=O)N(C)CC)CC1 1722450062 VWQMSKPFFPGQPN-UHFFFAOYSA-N 436.560 1.507 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722462144 RXGGVFCHTYNADN-UHFFFAOYSA-N 434.610 1.807 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722494919 SYBVYBFLJAPGTR-RTBURBONSA-N 444.580 1.800 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1722696080 AEKGPLXHDRHSBP-PMERELPUSA-N 426.546 1.960 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3CCCCCO)CC2)c1C#N 1725868811 RVRFJLNIQLEYPC-SFHVURJKSA-N 442.568 1.575 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(C)CN(C)C1=O 1727013480 UGWCLDAPSVCDTK-PONJGIIJSA-N 437.552 1.647 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1730696416 BRXZTKNWSIXADO-GOSISDBHSA-N 446.577 1.961 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1730949210 FCGJLSBFLGQPIP-LQBOVUBWSA-N 446.552 1.381 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1740551374 TYFRFEIMEMUJQF-VQIMIIECSA-N 425.489 1.497 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740571922 XKNHKCACCJNJBI-OAQYLSRUSA-N 443.577 1.743 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740627350 GQIDLODDYMSNSA-DOTOQJQBSA-N 436.509 1.658 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1740627926 LJUJFDVPSWTVPD-DOTOQJQBSA-N 435.937 1.853 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCCC1 1740687604 CTYLHCCAZOVUQA-UHFFFAOYSA-N 448.593 1.583 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1740694397 IQLQTPJVYNRADN-UHFFFAOYSA-N 448.531 1.121 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740720352 VTIHYYVKINKFHC-RBUKOAKNSA-N 446.621 1.314 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1740731480 BZTBMNJHJQPFLT-LAUBAEHRSA-N 435.594 1.283 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCOC 1740986966 LXWDMVVIMPXQNY-UHFFFAOYSA-N 446.371 1.730 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1740995327 IDXVBKWDOSIZJI-VQIMIIECSA-N 444.623 1.861 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1741657656 BHQPUSVOGVXRGQ-QGZVFWFLSA-N 440.405 1.910 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1747441528 KDHLNVZHKPXPPK-QAPCUYQASA-N 432.550 1.617 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748839528 XGMJFFXZBQMFNO-MJGOQNOKSA-N 426.546 1.550 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCNS(C)(=O)=O 1748914344 JGLXMTRZUUKBRI-UHFFFAOYSA-N 432.369 1.778 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCn3cc(C)nc32)CC1 1748977865 KQVJUPFSLVLKKP-WOJBJXKFSA-N 441.580 1.840 30 10 IDEE C=C(C)COCCn1c(CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1749231505 SVNZLWGBVDOKIE-UHFFFAOYSA-N 443.577 1.825 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749451686 CWNBBRWWGUNEGA-KRWDZBQOSA-N 425.493 1.406 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1749465706 WHEGISORMJRTMJ-CABCVRRESA-N 442.586 1.910 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749682860 BHMVJWDWXNKBPT-PPULILFRSA-N 449.552 1.079 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)S(=O)(=O)CC 1760199173 QROHKHWEYUWRJC-UHFFFAOYSA-N 443.529 1.418 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1760280756 ITUGRLXJFMEDLY-IRXDYDNUSA-N 426.608 1.800 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1CC 1760450263 HJQWCGLDXMGGIC-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1760462246 VKCQXGDILDWNND-UHFFFAOYSA-N 445.549 1.888 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1760464288 DNQOXNZTRMKGNR-IIBYNOLFSA-N 439.557 1.996 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1760688345 GHJVWGFRMPSAMO-LLVKDONJSA-N 429.344 1.687 30 10 IDEE CC/C=C/Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1763590146 BHSXVZUUYMRZPZ-BQYQJAHWSA-N 425.541 1.623 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CCO1 1765635257 BBSLZGRFIUBTNR-HXUWFJFHSA-N 436.520 1.996 30 10 IDEE CCN1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C2)CC1 1767136370 FOIRYGVFGQYBFG-KRWDZBQOSA-N 440.552 1.145 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)C1 1767251312 DZKMKAVFJDGJLH-RBUKOAKNSA-N 444.561 1.760 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1768171292 DABSHZHXMJOJLP-UHFFFAOYSA-N 447.490 1.357 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1768172212 KZHCOWSRVZYHSH-QFIPXVFZSA-N 442.589 1.843 30 10 IDEE COC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1770775803 HNWQQIJKMTVFJQ-GOSISDBHSA-N 435.488 1.460 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1771218546 QTMYHFRNPVUSER-QZTJIDSGSA-N 444.536 1.674 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC[C@H]2COCCO2)cc1 1771534717 MCMBVBZKZSQIPV-IBGZPJMESA-N 440.504 1.236 30 10 IDEE C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)[C@]2(O)COP(=O)(O)O 1848440131 VDOLADXQHJJIQS-CKBUFISISA-N 440.429 1.675 30 10 IDEE C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC 1852798623 DYEAPBRBPYBAOZ-KRWDZBQOSA-N 436.578 1.987 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)[C@H](C)C2=O)CC1=O 1854609466 BNBUMIQNLIIWRP-ZIAGYGMSSA-N 439.921 1.123 30 10 IDEE COc1cc(C)c(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858334077 BJJXOGQLLCYRAT-KRWDZBQOSA-N 449.554 1.925 30 10 IDEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cc(C)ccc1S(C)(=O)=O 1860995159 DTSYRPQCAGXNAY-QGZVFWFLSA-N 439.578 1.849 30 10 IDEE COc1ccc(OC)c(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874341870 UQYRIIHILFYAKD-FPQGOQEYSA-N 433.534 1.986 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 1985858590 HRBSBGJVTVFFRL-CABCVRRESA-N 428.530 1.965 30 10 IDEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124522892 YZSRJXQVYOQISO-UKRRQHHQSA-N 448.329 1.739 30 10 IDEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248444433 AHXQCGWXRZFLJY-WDEREUQCSA-N 442.347 1.126 30 10 IDEE Cc1cnc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255613021 XMXOIGQIFASNSK-AWEZNQCLSA-N 435.330 1.305 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)n1 2255653015 CMWMMWFZKHWUCW-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2255882443 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Cn1cc(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2272636686 NQDMNBJPIYTJFG-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE COc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 2322614573 YKWJQCGMRFYYND-LBPRGKRZSA-N 426.882 1.720 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2334312037 RSHQUMTUQRZIIV-KKUMJFAQSA-N 444.341 1.761 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2343642555 RGHKNNLPHVKEHJ-FPTDNZKUSA-N 446.357 1.991 30 10 IDEE C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCC(N)=O)c(OCC)c1)CC(=O)N2 21784631 HEPZQBHVBHWLGQ-GFCCVEGCSA-N 430.486 1.785 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 61077857 IMBDAVSNIZGGKQ-ZDUSSCGKSA-N 427.332 1.558 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 109937872 ASFHXWYFXJDZON-QFBILLFUSA-N 435.509 1.842 30 10 IDEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2c1 428281900 CJLZSHFPAVULMW-GOSISDBHSA-N 442.516 1.975 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)C2)nc1 428801306 BGMKNOZJLIIXKN-NRFANRHFSA-N 433.512 1.827 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1Cl 441977585 JBNQULYKLWJXAQ-LBPRGKRZSA-N 435.893 1.688 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3c(O)cccc32)CC1 466090504 BNCNGHSLEJCMOX-SFHVURJKSA-N 426.498 1.967 30 10 IDEE COc1cccc(-c2nc(=NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)s[nH]2)c1 471941865 RAGNJJLUKIODPR-UHFFFAOYSA-N 438.517 1.903 30 10 IDEE CC1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 478413682 CSWHTBZCQPHIBO-JTSKRJEESA-N 426.473 1.560 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 480606692 HUDOWCLTVJGETG-QGZVFWFLSA-N 431.967 1.429 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 482809370 MVTRAKFVWNKURL-UKRRQHHQSA-N 433.921 1.669 30 10 IDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 493506749 MIXZDMZBNBAROU-INIZCTEOSA-N 435.322 1.001 30 10 IDEE C=CCn1c(CCCc2ccccc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508862994 IEHYOVPLGMCVSF-UHFFFAOYSA-N 438.576 1.620 30 10 IDEE CSc1nc(O)c(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)cc1C#N 512823257 UVJSBFUJOXQLIB-UHFFFAOYSA-N 425.514 1.979 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 542789556 PPMNYBNYWOYHIE-HXUWFJFHSA-N 439.541 1.710 30 10 IDEE C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 557471567 BLMMXRLJMSIOLW-CRAIPNDOSA-N 428.514 1.987 30 10 IDEE CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2ccc(C#N)cn2)CC1 590573535 ADEHFQBEMSGLNV-UHFFFAOYSA-N 430.490 1.876 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@@H]1CCCO1 590914077 UNDGAKOHDBMKPF-WMZOPIPTSA-N 441.553 1.051 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(NS(=O)(=O)CCC)c2C)CC1 605416382 IONRSEBIJQNEKZ-UHFFFAOYSA-N 437.566 1.598 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 725746354 KHGASIMUWQYZTD-MRXNPFEDSA-N 427.482 1.142 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)ccc1F 731465238 WZCYUMPZMHOXPV-GOSISDBHSA-N 433.505 1.719 30 10 IDEE N#C[C@@H]1CN(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1C1CC1 732674784 MBCJXXFNRGACKG-LJQANCHMSA-N 431.562 1.469 30 10 IDEE Cc1nc(-c2ccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)cs1 737305229 FVQOAMUANFOUEH-ISLYRVAYSA-N 425.470 1.700 30 10 IDEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(C#N)cc1 740192176 NRZJOAWNJWTSED-KRWDZBQOSA-N 437.861 1.733 30 10 IDEE Cc1nc(=NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)n(-c2ccc(C#N)cc2)[nH]1 740688209 GIASMMIGGPPVGD-JOCHJYFZSA-N 429.440 1.275 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)s1 752192857 BDCLOBYOMVCCFR-CQSZACIVSA-N 446.598 1.383 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2cn3ccccc3n2)CC1 758662682 PDVRBIPLERICNE-UHFFFAOYSA-N 433.512 1.973 30 10 IDEE Cc1cc(C)nc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)n1 758752851 CLYFXZXBAXKJQX-SJORKVTESA-N 429.525 1.684 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)CC2)n1 760777373 DRAFKZCQOWRREO-UHFFFAOYSA-N 429.477 1.495 30 10 IDEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1cn(CCCC#N)c3ccccc13)c(=O)n2C 769545460 XTBNZWNISAUVQW-UHFFFAOYSA-N 448.483 1.939 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]2C1(C)C 783703190 SGAHBFQBLOEBOH-STXHMFSFSA-N 430.567 1.802 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc(-c3cccnc3)nc2O)n1 790106100 QRUPKIWBBKBAQC-UHFFFAOYSA-N 434.500 1.990 30 10 IDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)CCC1 790357833 UVEAMNGJFMNXCY-UHFFFAOYSA-N 440.587 1.978 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 800776724 HLLXMCWWBZVDBG-SFHVURJKSA-N 439.520 1.931 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCc3cccnc3C#N)cc2)CC1 813168091 IVXLAXCHIVPKHA-UHFFFAOYSA-N 428.470 1.163 30 10 IDEE COc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 918586410 UCDAYXVQXBYLQO-UHFFFAOYSA-N 431.470 1.360 30 10 IDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4c[nH]c5ccccc45)n3)[nH]c2n(C)c1=O 1084625350 PWEXIJRSHQGRPD-UHFFFAOYSA-N 436.461 1.157 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1 1115856520 DYEIGQJTTVYQAR-UHFFFAOYSA-N 433.530 1.704 30 10 IDEE COC(=O)CC1(NCC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CCS(=O)(=O)CC1 1116727536 WTSAMHDVQIOCSY-OAHLLOKOSA-N 442.497 1.324 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnn(-c4ccc(Br)cc4)n3)C[C@H]1CS(=O)(=O)C2 1134279913 RWSNOPLAGVQVCO-ZBEGNZNMSA-N 436.291 1.040 30 10 IDEE O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1134620077 AUWDKGVAXCRAQC-YUMQZZPRSA-N 445.270 1.701 30 10 IDEE COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1136671879 UKDDFIPWSJLRIQ-QTIQAUKSSA-N 444.488 1.904 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccnc(C#N)c1 1139855333 HIPHYXVDJLSDQC-SFHVURJKSA-N 430.486 1.299 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(OCC(F)(F)F)nn1 1166142486 QYDVFPAUMJGYMS-LLVKDONJSA-N 443.407 1.273 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1167364370 BIGVZMHWVLMQSM-YNAXMUEKSA-N 448.442 1.842 30 10 IDEE C[C@]1([C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C2)COC(=O)N1 1176242879 HXXDRWBMNOPTSH-GREBRCKQSA-N 443.523 1.745 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCCc3ccc(C#N)cc3)nn2)C1 1230918287 JFVPBXGNHGWLMB-UHFFFAOYSA-N 425.493 1.983 30 10 IDEE C=CCCn1cc(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)nn1 1271796013 MLZMEITZMOQHPL-UHFFFAOYSA-N 442.339 1.633 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1286377116 SEZIBJAIFMTQGH-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)OC(C)(C)C 1286400484 HAVBQSJIVPHYSQ-JOCHJYFZSA-N 431.537 1.918 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCC1 1286463824 UMNKDQSLNBXUJD-UHFFFAOYSA-N 435.536 1.491 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286504274 PJZBKXSGJCSBOZ-GOSISDBHSA-N 441.605 1.773 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCCO 1286525775 LYACUVPSTBBUNY-HSZRJFAPSA-N 439.564 1.843 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286687361 IUNILJQLVAXDMX-IAGOWNOFSA-N 444.623 1.940 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286782465 VXPJVTMPTRCQDK-YJBOKZPZSA-N 425.493 1.828 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286828190 ILKPCAASFDABKE-CQSZACIVSA-N 427.538 1.724 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccn3C)nnc2N(C)Cc2cccc(C#N)c2)CC1 1286890802 DMFALQINZDFFJP-UHFFFAOYSA-N 446.559 1.956 30 10 IDEE CC(C)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287207507 RDGLUXXPJQLRKU-XAIYEJPOSA-N 441.536 1.423 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1cccs1 1288825409 DQXOCDUOTMVFEM-ZLIFDBKOSA-N 442.542 1.299 30 10 IDEE C=C(C)Cn1c(SCC(=O)NC(C)(C)CNS(C)(=O)=O)nnc1-c1ccco1 1289118244 WZHWVAOSPMDEDY-UHFFFAOYSA-N 427.552 1.650 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O 1289677360 NMEIFUBMINKQKE-UHFFFAOYSA-N 434.493 1.259 30 10 IDEE CCN1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1296104479 CFIGXHGEGGPKCD-LSDHQDQOSA-N 449.515 1.530 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@](COC)(C(=O)OCC)C2)s1 1296827771 WSGCIECONRXDFH-IBGZPJMESA-N 444.575 1.573 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(OCC(N)=O)CC1 1300386130 LIJHVNIVNAQUPS-UHFFFAOYSA-N 449.353 1.930 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1300487857 MPBMKQKRIFGQPX-HNNXBMFYSA-N 425.461 1.249 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300491220 FFIKSWLMKUSFPG-AEFFLSMTSA-N 449.577 1.205 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn(-c3ccccc3)c2)CC1 1300683130 LOZRYTJWBBPONW-HXUWFJFHSA-N 449.559 1.991 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@H]2C[C@H]2C)CC1 1300689405 VJPPQZVBPOUIFK-APWZRJJASA-N 428.562 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnn(CC)c2)CC1 1300726268 MSJDORANHSLOQM-IBGZPJMESA-N 425.537 1.403 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C 1300762294 HXRDUOSLAFKTPT-IKGGRYGDSA-N 441.623 1.602 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1300872623 BUQOHHJYEOERLJ-AABGKKOBSA-N 436.516 1.749 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1301478866 QJWLFSIQCWMQTR-UHFFFAOYSA-N 431.585 1.275 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1301510024 RJUQERZCQJJNGX-UHFFFAOYSA-N 439.476 1.174 30 10 IDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301618265 NLBAPFXLXBUZFY-UHFFFAOYSA-N 427.578 1.970 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)C[C@H]1O 1315110848 ZTRZJNMNSQULML-WOJBJXKFSA-N 432.484 1.815 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCCN2CCC[C@H]2CO)CCO1 1316539905 HCLWQQGLWRECNA-OALUTQOASA-N 430.578 1.896 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1358929521 BUOWHLIGUFTPDM-GOSISDBHSA-N 429.546 1.590 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1358939959 LAROQZAIFHYGTJ-UTKZUKDTSA-N 441.523 1.744 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1358949033 RIWFJWOIHXFGTB-MRXNPFEDSA-N 439.488 1.201 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358960482 FRNUNHBAWVXZMD-AWEZNQCLSA-N 449.487 1.550 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358963658 LWXISVAPVJTKHS-HKUYNNGSSA-N 429.546 1.437 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(COC)CCOCC1 1358970849 YYLPTCCBZDDSOI-HSZRJFAPSA-N 430.549 1.835 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS(=O)(=O)C1 1359020304 YGTHIUZXMACZIG-MRXNPFEDSA-N 447.517 1.764 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCCC1(C)C 1359021476 QCFCEKNCZARXAK-LJQANCHMSA-N 436.520 1.822 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nccs2)C1 1359060177 MZJTZQBNLIATCN-HNNXBMFYSA-N 432.575 1.801 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1359104816 GFRNGFHGXXULRP-QSNWEANLSA-N 433.553 1.578 30 10 IDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)c1ccccc1 1359193800 JSJFRHFATUODFA-FUHWJXTLSA-N 446.577 1.575 30 10 IDEE C=CCNC(=O)CNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1446850841 ZCNYNXGDZRVJLE-ZBFHGGJFSA-N 443.363 1.461 30 10 IDEE CCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1455068634 RNUKIRPXYZPBEH-ZXYWRSMDSA-N 425.514 1.866 30 10 IDEE C#Cc1ccc(NC(=O)CCN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1 1459741826 KIVBRLYWZRJHQI-UHFFFAOYSA-N 447.495 1.388 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C(=O)OC)C1 1466318228 SKPMPBHIXLELGQ-SJLPKXTDSA-N 445.321 1.861 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 1468524120 AMVABQAACSCOAQ-GCJKJVERSA-N 445.516 1.832 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1471536014 NDWQCMXXBIWVNR-AWEZNQCLSA-N 447.351 1.527 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1nc(C#N)cs1 1472147074 WRGWSJJVJKUTJP-HNNXBMFYSA-N 436.515 1.361 30 10 IDEE C#CCOc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 1476472798 DMBQVLSXJUYZST-UHFFFAOYSA-N 430.486 1.436 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1503160470 WJMFRBLKSYVYPX-HYLQGWQCSA-N 430.509 1.171 30 10 IDEE CN(C)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1503404400 KXFPZRAFFZNZJY-NQIIRXRSSA-N 430.484 1.811 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1503526122 VKUSUYWYAOFSEG-CZIZESTLSA-N 427.484 1.994 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1507525532 HILVGZVUSHIOMY-JKSUJKDBSA-N 430.530 1.999 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1507573307 GJICYVRJJIQKFK-HRAATJIYSA-N 429.546 1.938 30 10 IDEE 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C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 1740991949 IXVLQBYIEAZESO-MRXNPFEDSA-N 444.623 1.798 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746713218 HEBCSZUKYNBEJO-QVKFZJNVSA-N 428.493 1.535 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(-n2cncn2)nc1 1748776861 SQZMCOOSBPAYFK-UHFFFAOYSA-N 448.512 1.442 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncccc2N(C)C)CC1 1748994495 IZRXSXSNBCPIHJ-UHFFFAOYSA-N 433.564 1.404 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2C[C@@H]2C)CC1 1749015732 LMFZPOQJTCTSMY-RDJZCZTQSA-N 440.573 1.891 30 10 IDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749028738 HBDKKSZHRCHWTR-UHFFFAOYSA-N 438.557 1.239 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749351837 AOOWWNODMZNAEM-UHFFFAOYSA-N 431.541 1.539 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749431132 ZMBLLHZMKHUJEU-QGZVFWFLSA-N 439.520 1.737 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1C 1749651556 XUMCBAYRRCDWTQ-HZPDHXFCSA-N 434.566 1.696 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1750056950 MWAACVWTFQZBMU-MJGOQNOKSA-N 445.545 1.493 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1750075035 AMKWCZWHJICKRM-CVEARBPZSA-N 449.556 1.661 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@H]2CO)CCO1 1750389039 VTMCXXQJWJHUBR-PMACEKPBSA-N 442.539 1.974 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1760118052 XJQDEMWMDQEPQJ-IEBWSBKVSA-N 443.573 1.523 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760137471 KLUJBXGSWZUIAJ-ZWKOTPCHSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1760186551 DJSYPXYHGNVBCI-JYJNAYRXSA-N 437.591 1.142 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1760216635 VNCFGHCJBSHHKO-INIZCTEOSA-N 443.529 1.294 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1760273603 ZXLKLSDMUIVGBW-KDURUIRLSA-N 446.596 1.280 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1760280291 JGQCHPFIOIICNB-KRWDZBQOSA-N 434.610 1.390 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1760282281 YZXMKXFINDWTET-IXDOHACOSA-N 439.607 1.356 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@@]1(OCC)CCOC1 1760528444 CMKCRKYNBZGGSD-HTAPYJJXSA-N 443.552 1.350 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760528614 IBHFTGBWGISIPN-JOCHJYFZSA-N 448.568 1.068 30 10 IDEE Cc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C 1761792448 NJHFUHWJULGUBF-AVRDEDQJSA-N 442.520 1.103 30 10 IDEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1763357434 CABFEWNYFKRFBJ-INIZCTEOSA-N 432.550 1.904 30 10 IDEE CC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1765185890 NNEXUIOSMKSJSS-PBHICJAKSA-N 434.522 1.360 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1767571340 GMEGSCZRFAFMQE-AWEZNQCLSA-N 430.534 1.212 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1769412485 YMGHCJTZXJPCLG-CVEARBPZSA-N 433.534 1.946 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1770204821 RNHQISXUAZSOLS-BOSXTWCSSA-N 437.566 1.567 30 10 IDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1770324816 BEQSZQVBUOHVSG-UHFFFAOYSA-N 433.559 1.210 30 10 IDEE CS(=O)(=O)CCCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770333187 OJQQNOJVDYBJSG-UHFFFAOYSA-N 444.561 1.980 30 10 IDEE COc1ccccc1O[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1770487249 FSEDBZAFGLFAIS-SJORKVTESA-N 440.504 1.719 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCSCC(F)(F)F)CCO1 1770746603 HWYUWYKSKIVESF-GFCCVEGCSA-N 441.439 1.950 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCc2ccco2)CCO1 1770748026 LPADNRPDHMGOLZ-OAHLLOKOSA-N 442.426 1.785 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[C@H]2C)CC1 1771162681 HIEOUJAQHRQWNH-YLJYHZDGSA-N 437.548 1.357 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O 1772791709 XNWUURPPNGXWCP-KRWDZBQOSA-N 430.376 1.371 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c(OC)c1 1852455309 JMDTXOSQAWQWSW-RDJZCZTQSA-N 438.440 1.687 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1CCC#N 1855911566 FNVTYEMAHYRYKM-KRWDZBQOSA-N 432.546 1.450 30 10 IDEE COc1ccc(CCN2C(=O)c3ccc(C(=O)N(CCC#N)CC(=O)O)cc3C2=O)cc1 1866304303 DSMBMPPNZUEDGR-UHFFFAOYSA-N 435.436 1.974 30 10 IDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccccn2)cc1 1870159682 OXZFLVQSOKVFSN-UHFFFAOYSA-N 432.488 1.858 30 10 IDEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871232527 FYXXUYVMTFFUGG-UHFFFAOYSA-N 435.502 1.626 30 10 IDEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)o2)cc1 1871287928 MICBBIIVPBCXKM-UHFFFAOYSA-N 446.510 1.690 30 10 IDEE C=C(Br)CS(=O)(=O)N(C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCOC1 2006228993 XCYIXCQBJCRPFZ-LBPRGKRZSA-N 425.345 1.935 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128725242 MCYQEZPSVTXQKO-QHCPKHFHSA-N 446.353 1.974 30 10 IDEE NCC#Cc1ccccc1CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2146009780 HLXUANFBXBFXSJ-UHFFFAOYSA-N 425.510 1.493 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCN)cc1 2164488911 ZDPIGFWAKZGSCO-NRFANRHFSA-N 429.473 1.763 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2243434597 AOCXZBKULIEPNN-KBPBESRZSA-N 432.348 1.074 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247845512 RPDPAMQOPJECIM-GFCCVEGCSA-N 441.359 1.400 30 10 IDEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247950327 DQFJTHUZCYZVEB-UHFFFAOYSA-N 439.343 1.278 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255625352 QDURKUKULLDZRN-UKRRQHHQSA-N 434.346 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2255651250 VLQGEBXUQJBFRH-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC1(C)OB(c2ccoc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255654653 ALFKCYRRRKLXEB-RYUDHWBXSA-N 428.216 1.957 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255828549 UIDPLDFPVMMNEY-YOWGUQMCSA-N 432.330 1.552 30 10 IDEE Cn1nc(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267133724 GHACPUQPNXZMHF-JOCHJYFZSA-N 446.357 1.945 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2267178099 XMMFFJAURCLADB-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267280472 PFFCOASDNOSAFT-NVXWUHKLSA-N 447.341 1.793 30 10 IDEE CO[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2267536399 JEWFIULMVXFZGP-HUUCEWRRSA-N 448.329 1.140 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267592384 DIAUCUKRZQFGNE-INIZCTEOSA-N 447.341 1.747 30 10 IDEE Cc1scc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2303616336 ZOEAMVCXWLEUDN-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE COc1ccccc1C=NNc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659682 QLBZVZZSOBEMAQ-GFCCVEGCSA-N 441.307 1.820 30 10 IDEE C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)CC1 28623822 JZLZKOVDYJLYAX-UHFFFAOYSA-N 443.573 1.721 30 10 IDEE COc1ccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 254346391 GKSYOPDGVJHWHC-RISCZKNCSA-N 428.488 1.170 30 10 IDEE Cn1c(CO)nnc1SCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 431230302 AOXSYNWKIMEUPG-ZDUSSCGKSA-N 430.534 1.769 30 10 IDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)CC2)c1C#N 472205022 JCOTUDNMNBIEJN-UHFFFAOYSA-N 438.897 1.981 30 10 IDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)c1 478183411 WOJMNUHWWHSWOL-UHFFFAOYSA-N 431.399 1.646 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 500608165 ANGKRHOFEPOPOR-UIAACRFSSA-N 441.509 1.640 30 10 IDEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 508807677 CQSDEBHIONSIAL-VWLOTQADSA-N 449.603 1.807 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 513086941 XILZNMYDZXLNEM-JTSKRJEESA-N 427.526 1.778 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 516632792 QGVRZYJLSHQBDB-APWZRJJASA-N 431.489 1.206 30 10 IDEE C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 518849827 AQGRDFUYDBCOCX-IPMKNSEASA-N 425.595 1.253 30 10 IDEE CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 522297766 ATTPYNJELUCLEU-AEFFLSMTSA-N 447.561 1.221 30 10 IDEE CCc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc([N+](=O)[O-])cc3C)c2=O)c1 542725050 UFGIYQZJCVBGBE-UHFFFAOYSA-N 448.504 1.927 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCO2)CC1 549910751 LDFZJLKZPUIGTN-ROUUACIJSA-N 425.493 1.138 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2)C1 558905331 BWLVLURZKZFEKS-GOSISDBHSA-N 430.534 1.399 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccco1 577326877 PZJCVSMGCKNAEQ-MRXNPFEDSA-N 425.511 1.043 30 10 IDEE Cc1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 612832837 VHQIMYKMGWIMAR-INIZCTEOSA-N 429.506 1.172 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 673732107 FVGASOGBNLKVBC-UHFFFAOYSA-N 439.516 1.054 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727814892 ORMHKVUWTNJBRG-UHFFFAOYSA-N 441.534 1.169 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1 732790368 SDXCLRGIPLGXEZ-LJQANCHMSA-N 429.473 1.615 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 733149880 WJMMQLFLTLJJFL-AABGKKOBSA-N 446.592 1.838 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 734268826 CTWQKDOVQUAGJA-HDICACEKSA-N 447.555 1.569 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccc(F)cc1 735069220 OUWWNXYMTBAUDF-UHFFFAOYSA-N 439.516 1.674 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(=O)N(C)C)c2=O)cn1 735069697 ZJBREYCNHBDXME-UHFFFAOYSA-N 443.573 1.113 30 10 IDEE CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 738377541 WSTMEGCBRPBQOL-QGZVFWFLSA-N 426.564 1.589 30 10 IDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742603412 HYPULCKTFBPCSS-HZPDHXFCSA-N 448.589 1.903 30 10 IDEE N#Cc1ccc(CNC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749287984 BMAKVBFXHQLAIA-INIZCTEOSA-N 433.511 1.632 30 10 IDEE Cn1cc(C#N)cc1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 751364920 RBIGRVYIDLMHQP-KRWDZBQOSA-N 429.521 1.828 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc(N4CC[C@@H](C)C4)c3)CC2)o1 752603315 UPTCKAWBJJJQRR-OAHLLOKOSA-N 438.488 1.602 30 10 IDEE C#CCOc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 754528789 PRHMVYPUGKCJJA-GOSISDBHSA-N 435.528 1.275 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)c2ccc(N3CCNC3=O)cc2)c1 754772293 AWZOJBIGUNKXFD-UHFFFAOYSA-N 449.286 1.969 30 10 IDEE CCOC(=O)c1cc(Br)cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 756965623 FJUVMTSSNMPVBR-HNNXBMFYSA-N 442.335 1.987 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccn(C)n2)C1=O 760454362 LZNHTGOYSAJPSF-SFHVURJKSA-N 428.562 1.662 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 763785187 SVDSJHIIPHUWDV-AEFFLSMTSA-N 433.486 1.436 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c(=O)n1C[C@H]1CCCO1 780292685 BEZYQFGUARENFI-LJQANCHMSA-N 435.484 1.499 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1 787314852 OXSGJAYFGGHSFD-UHFFFAOYSA-N 446.577 1.198 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 798975509 NHYMFEKSWFRTEI-KGLIPLIRSA-N 429.481 1.055 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 803698386 OKJWTZXGFIYMRD-UHFFFAOYSA-N 430.526 1.683 30 10 IDEE C#CCN(C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@H]1CCS(=O)(=O)C1 807513529 ANXGCNHOLSEPNU-HNNXBMFYSA-N 426.926 1.105 30 10 IDEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1 807935701 UZMSNGKHSDPYAN-SFHVURJKSA-N 443.577 1.577 30 10 IDEE Cn1cc(/C=C/C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(=O)n(C)c1=O 809741581 ZHOPILJNKJMUDH-BQYQJAHWSA-N 440.510 1.751 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1/N=C\c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1082567438 VLLQYXRHVIIXOF-WPZMCQQYSA-N 428.681 1.666 30 10 IDEE COc1cc([N+](=O)[O-])ccc1NN=C1C(=O)N(C(N)=S)N=C1c1ccc([N+](=O)[O-])cc1 1084519289 VGAKIPKBNNNXJG-UHFFFAOYSA-N 443.401 1.770 30 10 IDEE N#Cc1ccc2c(c1)N(C(=O)Cc1ccc(S(=O)(=O)N3CCOCC3)s1)CC(=O)N2 1129494479 VYKJMDLKAYXWLR-UHFFFAOYSA-N 446.510 1.168 30 10 IDEE CS(=O)(=O)c1ccc(NCCNC(=O)C(=O)/C=C/c2ccc(F)cc2)c([N+](=O)[O-])c1 1136035739 CPXBFPQANIZUHI-RUDMXATFSA-N 435.433 1.948 30 10 IDEE C[C@]1(C2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)NC(=O)NC1=O 1136994792 ISVNWSJBTKIJGK-GOSISDBHSA-N 435.278 1.536 30 10 IDEE COC(=O)C1(C#N)CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1211839170 AIQRTIJTISDMRP-SFHVURJKSA-N 449.529 1.896 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1286376632 MVYXOQGFTFTGTI-PKOBYXMFSA-N 429.546 1.410 30 10 IDEE C#CCN(c1nnc(CC)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286396676 XFKWAUVKOBXYAX-QGZVFWFLSA-N 432.546 1.945 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286397721 CBSXTMYYMGQUNP-ZCNNSNEGSA-N 444.557 1.677 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1286410143 SHMORQJKXAUNPC-ICSRJNTNSA-N 437.569 1.704 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCNS(C)(=O)=O 1286458613 ZRKOHQJYWWQQDU-UHFFFAOYSA-N 442.520 1.592 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(COC)CCC2)CC1 1286490650 ZVYDPMCEJZIMLH-UHFFFAOYSA-N 425.537 1.461 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286506037 FCGUVKYRLPVSME-GOSISDBHSA-N 432.594 1.876 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(CC(C)C)CCO1 1286514177 AXYANGCNSKZRDJ-AUSIDOKSSA-N 428.581 1.863 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286600558 BOZMGHXRKLBBGE-MRXNPFEDSA-N 427.571 1.413 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(O)cc2)CC1 1286645528 DXEMVJQTNVWDLJ-LJQANCHMSA-N 447.561 1.716 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1300276440 MSZKCRAFVYDFBM-NSHDSACASA-N 431.298 1.705 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1300303042 GCEYWEBDEMFBAT-MRXNPFEDSA-N 434.500 1.823 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC(C)(C)C1 1300545238 MGKGUDZMYXEDHF-UHFFFAOYSA-N 440.573 1.453 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NCC=C)CC1 1300727027 UNJNDPJXCDGOHR-UHFFFAOYSA-N 434.544 1.445 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1300873243 IMNKMKGTMRJHOO-NVXWUHKLSA-N 439.582 1.411 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1300888345 JDQAXDWIMXLKMP-XMSQKQJNSA-N 440.548 1.540 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(=O)(=O)CC 1300889048 ANBHSAFTIWIDBY-LPHOPBHVSA-N 439.582 1.253 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 1301223356 STICIYJOFIZMOX-XLIONFOSSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 1301482347 VOKVNRDJXDBBNB-GJZGRUSLSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1301501260 UKOSDZLVZBRWNR-OAHLLOKOSA-N 431.928 1.459 30 10 IDEE COC(=O)c1c(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc2n1CCC2 1301521388 HCCAIMDNDYZIJW-LLVKDONJSA-N 431.474 1.072 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccccc1F 1301584463 APEQBYZSLMRYIV-QGZVFWFLSA-N 435.525 1.996 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2(F)CCC2)C1 1302479601 NJRWVQBDVIRSER-RDTXWAMCSA-N 444.508 1.335 30 10 IDEE CC(F)(F)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1303785018 CFLJIEIZWFQYKP-OAHLLOKOSA-N 430.463 1.868 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCOCC1 1305532667 LVRLCAUMJXVQNA-KRWDZBQOSA-N 425.537 1.926 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1313971698 UKWCNHPZPWVRJX-FQEVSTJZSA-N 431.472 1.610 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1314480363 BWOHMMWUZKWUAX-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)Cc1nnc2n1CCOC2 1327853545 DUNDHZDEDJANNZ-UHFFFAOYSA-N 434.453 1.278 30 10 IDEE Cn1nc2c(c1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)CS(=O)(=O)CC2 1354274420 PYNNYTNVZMZYQB-UHFFFAOYSA-N 426.420 1.967 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncccc1N(C)C 1358880691 QUJULMDCYSTUGA-MRXNPFEDSA-N 428.504 1.888 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCS1(=O)=O 1358896795 MGUVMZWHXZWEMY-SFHVURJKSA-N 431.562 1.967 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1358897242 VVTIJTLYCIKHCM-HUUCEWRRSA-N 435.575 1.695 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(OC)CCOC2)CC1 1359030673 BIAZFHOASNMUCR-HSZRJFAPSA-N 441.532 1.523 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCC2)CC1 1359165228 KUQVRUCCYJDLFP-QGZVFWFLSA-N 439.582 1.727 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC(OCC(N)=O)CC1 1359310584 ZWNRXNYZCQYTPD-UHFFFAOYSA-N 449.515 1.819 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1359318179 YJXWPLHAKFWJJU-ZWKOTPCHSA-N 426.521 1.616 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCc1ccc(C#N)cn1 1450773191 JPYMWAATSPCYRF-USXIJHARSA-N 434.518 1.240 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cnn(-c2ccccc2)c1I 1458216598 WIEPEOWDBUVWJV-UHFFFAOYSA-N 445.282 1.808 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c1 1466592761 PVWQJIGKLIRWIQ-MRXNPFEDSA-N 445.472 1.972 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)C1 1469727746 BJDQDDPMJPZPAX-SOUVJXGZSA-N 432.481 1.789 30 10 IDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1472283521 TXKNCFSREWJAMS-DDHUMTCJSA-N 445.520 1.718 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1472400571 KGLXQDWUIYUUTK-IRXDYDNUSA-N 433.530 1.535 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@@]2(CCOC2)O1 1494252348 HMEGULTZMRANGW-WZONZLPQSA-N 440.548 1.779 30 10 IDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1503407935 KKYCNRLYSMEJJK-QRVBRYPASA-N 444.561 1.417 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C2CC2)cc(OC)c1OC 1504078333 HCMBOHGULHHAMH-AOMKIAJQSA-N 443.504 1.861 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507523346 KXDPJELHNTXEFC-NVXWUHKLSA-N 447.561 1.844 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1507721360 NQMOPNLKFOONHM-UHFFFAOYSA-N 438.923 1.507 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCS(C)(=O)=O)CC1 1507739998 HWDCMWRTFLFGRE-UHFFFAOYSA-N 443.573 1.074 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)CC1 1507782227 XJWNFGKZHCUHND-UHFFFAOYSA-N 437.298 1.583 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507836014 UCESFRDJZFMBCA-UHFFFAOYSA-N 445.568 1.445 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507982589 NHSLGZXJQGVRSC-IXDOHACOSA-N 425.599 1.690 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCOC1 1508035809 FSNRQNXLQLPVDM-JOCHJYFZSA-N 429.521 1.937 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1508084869 CVXZKMBIAONEQB-UHFFFAOYSA-N 443.596 1.371 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C#N)C1 1508135263 GTOFCBKSZZBLIK-MRXNPFEDSA-N 447.517 1.292 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CC(=O)N(C)C 1512364544 DJZVCXYYHIWKPH-INIZCTEOSA-N 431.504 1.410 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1512552711 IADCXRRRKRKYPX-IRXDYDNUSA-N 446.577 1.407 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1515954584 AKVDYAHNQFQKQP-UHFFFAOYSA-N 446.577 1.850 30 10 IDEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1517017064 SHRDGVQNTFNSMJ-KDURUIRLSA-N 426.521 1.878 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1521136622 GXGVLKAORBBTMN-SFHVURJKSA-N 449.508 1.550 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2ccc(C(N)=O)nc2)c1 1525956397 LRRRCOLFSGMIJE-PLRJNAJWSA-N 443.529 1.955 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1539213025 ZTSGXIQXMFBVAP-VGSWGCGISA-N 441.557 1.359 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1539267415 ZJBCIZSLVJTMGA-QGZVFWFLSA-N 444.536 1.186 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1539409080 NNTQINOMBSVWHM-UHFFFAOYSA-N 434.504 1.963 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1539491441 QHCZOIFOHWDMOE-UHFFFAOYSA-N 432.529 1.038 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)C 1539547955 AWOMBVQXKQQDRS-JOCHJYFZSA-N 433.520 1.685 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1539874817 KEINMFFPZQDCDJ-HXUWFJFHSA-N 441.598 1.660 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1540916652 DKQLJTKWRIYEDG-CABCVRRESA-N 427.596 1.191 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1 1543389792 XFNBJHSGOXMVJP-FQEVSTJZSA-N 431.489 1.926 30 10 IDEE CN(CCC(F)F)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554252538 ZEEAGACBMNXOBL-BMRADRMJSA-N 437.451 1.132 30 10 IDEE Cn1nc(I)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568507353 BQCJQWWPRNEHCE-CYBMUJFWSA-N 449.252 1.427 30 10 IDEE COC(=O)[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccnn1C 1570666721 KXTORBIUODQLCB-INIZCTEOSA-N 432.278 1.521 30 10 IDEE C#C[C@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC 1584770480 BGRXEQOZRGWCGG-KRWDZBQOSA-N 446.573 1.880 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 1588199374 NFROAIMWJSDBES-UHFFFAOYSA-N 439.497 1.358 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588646790 NHRMTSMKPRANML-HOTGVXAUSA-N 431.459 1.131 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1 1589134087 DLSXIJXSIYJBRC-HYBUGGRVSA-N 441.624 1.780 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589567583 FQHBIYGEKYYTOH-WFXMLNOXSA-N 446.596 1.585 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1594625111 DQJBZMNGCLMWPD-IXDOHACOSA-N 427.571 1.581 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 1594625113 DQJBZMNGCLMWPD-ULQDDVLXSA-N 427.571 1.581 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595772826 HIQLOPHUIBOVBY-UZLBHIALSA-N 436.534 1.832 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1595778066 VLSJUCAJNLVOLW-HOTGVXAUSA-N 442.549 1.614 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1611697670 YNEWUAXIBTZNHQ-XEZPLFJOSA-N 432.497 1.443 30 10 IDEE Cn1c(=O)[nH]c(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c(C#N)c1=O 1612722407 XTVYFTSADVKRGN-UHFFFAOYSA-N 431.496 1.846 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613267419 IAVUVHGFNZNQEN-PFANNTFUSA-N 430.509 1.707 30 10 IDEE CS(=O)(=O)CCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1620162520 CUNWJNZQJRKSHH-KRWDZBQOSA-N 428.518 1.445 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(NS(C)(=O)=O)cc2)s1 1625766488 KOXRLCGVMZPSHD-UHFFFAOYSA-N 443.572 1.443 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 1626833584 CIUBSRBBXWWXRC-ZOBUZTSGSA-N 434.562 1.692 30 10 IDEE N#C[C@@H]1CN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CCN1Cc1ccccc1 1627791741 FCQCAFWXSQOWCJ-MRXNPFEDSA-N 431.493 1.122 30 10 IDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1634049097 FHKZHUHOVCFXFP-INIZCTEOSA-N 449.577 1.500 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)ccc1F 1641376030 ICONPISEOYGXKP-RTBURBONSA-N 437.537 1.663 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C[C@@H](O)c3cccc(C#N)c3)CC2)c([N+](=O)[O-])c1 1644876150 IKDYSFVFBUEWKU-HXUWFJFHSA-N 430.486 1.726 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCNc2ccc(C(=O)OCC)cn2)c1 1648732896 GYNXBBUMHACJOF-UHFFFAOYSA-N 430.486 1.012 30 10 IDEE N#Cc1cccc(OCc2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)c1 1648787099 HPGGSFJXMOOILF-UHFFFAOYSA-N 427.420 1.968 30 10 IDEE CC(C)n1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c(O)nc1=O 1650867204 WZPBXYAIEHVMLR-DRCDNIGYSA-N 445.520 1.933 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ccsc2C#N)CC1 1654225699 CKGNWDQUNRIRMV-CQSZACIVSA-N 445.570 1.367 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1689928541 QFFZNYJDEBRHID-JKSUJKDBSA-N 426.525 1.471 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1689965656 ANSPYDATRVMFMH-LJQANCHMSA-N 447.561 1.458 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1690001986 WQOIOYUPTLIANP-ICSRJNTNSA-N 446.621 1.758 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1690098974 YHBWZYZCXWMBFK-XUTLUUPISA-N 438.463 1.697 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690175244 SKWLFBRQKFUZSU-KRWDZBQOSA-N 427.640 1.951 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1690622736 WVHRHGGMLAPVRY-LAUBAEHRSA-N 434.562 1.727 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690666851 IPVNSHJSNYKGNK-GOSISDBHSA-N 442.545 1.522 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1690993319 IEVNOSPYIMTZHQ-HNNXBMFYSA-N 445.549 1.000 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)CCCO2 1692766379 UKQINZKOCGRWIP-GJZGRUSLSA-N 432.550 2.000 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1698060517 BOZTYKRJWRTYLQ-MRXNPFEDSA-N 425.555 1.506 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)CC1 1698491481 CWLJGMYCWCKSCC-MRXNPFEDSA-N 434.566 1.356 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCS(C)(=O)=O 1705578391 QLLGXEXNABQMGC-UHFFFAOYSA-N 428.514 1.962 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1705582198 VSDPIEZTWBTOPG-GOSISDBHSA-N 442.564 1.992 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(C)nn(C)c2C)CC1 1705648438 SSFMCNANDLPQCH-SFHVURJKSA-N 425.537 1.146 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1705700751 XYHQCSYWLWLEPA-FUHWJXTLSA-N 434.566 1.615 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1705739669 MTKCXXBLBLLEMQ-UHFFFAOYSA-N 446.577 1.967 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705828740 XMTULFYAADXBKR-MRXNPFEDSA-N 437.508 1.465 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1711378052 GYGPKVULXYEIKU-UHFFFAOYSA-N 435.488 1.689 30 10 IDEE COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1711872681 BPIMAPZSBQFBRS-MGPUTAFESA-N 449.533 1.154 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCCS1(=O)=O 1712531553 TUXNOROULOSWSQ-INIZCTEOSA-N 440.570 1.168 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC(F)(F)C(F)F)C1 1712874823 CYRBBWACPBAZIY-MRXNPFEDSA-N 436.385 1.873 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722305894 FAXUTDJPFKPMGH-KRWDZBQOSA-N 436.520 1.769 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCC(O)CC1 1722357785 PGVKDWAARXAGKC-HDICACEKSA-N 446.596 1.965 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(CCOC)c1 1722469198 WEBBZEOBVXSCDU-YADHBBJMSA-N 428.537 1.814 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1722483152 NFPRAKTYMVEDOX-CQSZACIVSA-N 428.331 1.376 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722497856 FXSAXSXMYZESGT-NHCUHLMSSA-N 448.520 1.538 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1722516643 CETQNHPJGYJEOF-KRWDZBQOSA-N 442.630 1.601 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1722517964 QQMTXVNVBYHNGL-KRWDZBQOSA-N 425.555 1.360 30 10 IDEE C=C(Cl)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722558769 XSNDIIRVSRVEHU-CLCXKQKWSA-N 428.917 1.431 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722698714 KVPDCKYXZJOWGF-DLBZAZTESA-N 448.568 1.920 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1722793581 AFPKXGKMCFLNNK-UHFFFAOYSA-N 434.504 1.602 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1723604671 SMTVGGJSYJIMRB-VGOFRKELSA-N 439.568 1.949 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1726713286 VGHBFOMSTLJKQJ-ZEVGMECHSA-N 437.504 1.404 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1727643879 BTPWJDGZUGJUBY-DYESRHJHSA-N 428.493 1.546 30 10 IDEE CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1729204930 CFDLHLJYJVTRFT-CYBMUJFWSA-N 429.506 1.624 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1730872968 FAWMHXDGAVLYSE-QAPCUYQASA-N 428.493 1.072 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740600332 LPOOYXYAJCJVFG-CVDCTZTESA-N 443.548 1.975 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740620306 DHBUIQTXDBJZDN-SFHVURJKSA-N 444.561 1.129 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1740655890 GAJCANOMRVWVKB-SLFFLAALSA-N 431.606 1.764 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC[C@H]2CC)CC1 1740688516 GLTCOCLFDMRLCD-HXUWFJFHSA-N 427.597 1.534 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O 1740742891 FLEASOQZWSUPNF-UHFFFAOYSA-N 446.327 1.395 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740786491 FQKVVUQXLFOQDD-SFHVURJKSA-N 442.568 1.904 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740870777 VTXPJIZNFNYHRQ-MRXNPFEDSA-N 431.518 1.956 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCOCC2)C1 1740971006 SMWIMQGLVAUZKB-QZTJIDSGSA-N 441.536 1.427 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740991492 XSBXETNTBFBYMP-QZTJIDSGSA-N 434.566 1.297 30 10 IDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(S(C)(=O)=O)cc2)cn1 1748007548 FFIUJMAXESDKSG-UHFFFAOYSA-N 425.518 1.870 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC(C)C 1748671135 GHEFAWIRCBABCS-IRXDYDNUSA-N 443.639 1.848 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749457608 SPLKSBVYVJMKAY-GOSISDBHSA-N 445.593 1.909 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1749599819 MHPBZCUNKYGBLB-OAHLLOKOSA-N 425.942 1.916 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1749707357 DKYVFIPPPIHYLR-QYZOEREBSA-N 432.569 1.367 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)N(C)C)C1 1749711976 DZKOAUATKSIKSG-IPMKNSEASA-N 439.626 1.938 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749721648 QCVKBCWJYRBRRF-HOTGVXAUSA-N 425.555 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1749730678 MPWWOPNJMRLSSR-INIZCTEOSA-N 447.565 1.221 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1749744627 MKYYTTLUNXGOND-RYUDHWBXSA-N 443.517 1.575 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1749830376 JYYRQAVNHBVCTE-GOSISDBHSA-N 447.561 1.990 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@@H](C)O1 1752387731 KDWZIUWVUGTVBG-YVHKJVDXSA-N 426.521 1.409 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCS(=O)(=O)C1 1752728499 ITYBFKWXRIFCPK-ZIAGYGMSSA-N 430.534 1.761 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760154120 ANCHJVCMAMWOMR-IPMKNSEASA-N 435.594 1.141 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760197531 ZTWXZKSJNFUFHY-SFHVURJKSA-N 436.472 1.023 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1760215211 RPDLLQPOIAHJMR-IBGZPJMESA-N 443.515 1.298 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760261704 ATQJWQDPKGBDBK-NRFANRHFSA-N 437.592 1.520 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC)C1CC1 1760477249 UZHGEWBPBGFXTN-MRXNPFEDSA-N 427.571 1.581 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760516263 KCMWPGZYMNAULS-RRQGHBQHSA-N 433.896 1.935 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760521940 IDDGSPJZYLCXKH-CQSZACIVSA-N 430.469 1.030 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCO[C@H](C)C1 1760524365 WGTXYUONTKMDQQ-QGZVFWFLSA-N 440.552 1.370 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760527045 XKDHMMVBJKFSHV-MJGOQNOKSA-N 435.532 1.704 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCC)CC1 1760558222 JLIVJOQOGZSSKJ-QGZVFWFLSA-N 439.582 1.473 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1761550232 NEXKZKGTLONSNT-UZLBHIALSA-N 446.458 1.855 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1769995483 SOPYDWLXUYZDGI-AEFFLSMTSA-N 439.582 1.957 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1771249824 FNVDMTKSNXKQPB-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCOCCCO)cc1 1771532852 QAOPWSKDKVZYEZ-HXUWFJFHSA-N 440.548 1.374 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 1772791084 YJMUJARZJWQZAL-OAHLLOKOSA-N 425.422 1.354 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1857069963 DYEFTDMGMYXCIW-OAHLLOKOSA-N 429.473 1.829 30 10 IDEE N#CC1CCN([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)CC1 1857294668 YHPYFEZGMNIMFU-IBGZPJMESA-N 430.530 1.448 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccccc2C(=O)O)cc1OC 1862572421 FLEMYSXZOYKHRB-SFHVURJKSA-N 427.409 1.973 30 10 IDEE C=CCNC1=C(c2ccc(F)c(C)c2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863789576 OJPKDYXKZAQXGO-UHFFFAOYSA-N 429.473 1.837 30 10 IDEE CCCCCCCCC(=O)Nc1nc(N(CCO)CCO)nn1[C@H]1CCS(=O)(=O)C1 1869958510 CCZPYTOBWFWEEP-INIZCTEOSA-N 445.586 1.118 30 10 IDEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CC(O)C1 1870582384 ZSQWLRIOBOXIQA-UHFFFAOYSA-N 435.565 1.623 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CCCn3ncccc3=O)CC2)CC1 1890157558 FOXHUSOEXHUVOH-UHFFFAOYSA-N 443.592 1.061 30 10 IDEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(COc2nccnc2C#N)CC1 1891355352 FWARGBVNZZSYMN-MRXNPFEDSA-N 440.529 1.822 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)cs1 1891497333 QFEBWRVEQYEPMB-UHFFFAOYSA-N 438.517 1.212 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124516504 STHIMWPMQFJXOO-CABCVRRESA-N 448.329 1.475 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128731205 QUELFOMAJALFQB-UHFFFAOYSA-N 446.353 1.831 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248402490 XRTDCQQYCHRLHU-LBPRGKRZSA-N 441.359 1.334 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248412060 FUEYBJADMDYXID-IUODEOHRSA-N 440.371 1.938 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CC(NC(=O)OC(C)(C)C)C1 2255649656 LBSNUULRULSDSP-UHFFFAOYSA-N 434.346 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CO 2255751042 TXNDHXHZKRZMSW-UHFFFAOYSA-N 449.382 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864384 VMYCLKOSRKSGSY-HNNXBMFYSA-N 435.330 1.680 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256067437 PAUXAPRCUCLNKS-AWEZNQCLSA-N 432.330 1.763 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881259 GAYHPABMJBAOLW-CQSZACIVSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268653961 TWCLQBVSDVYEQV-SFHVURJKSA-N 446.353 1.756 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334270252 RFUJCEFKTVTYCF-OFQRWUPVSA-N 446.357 1.765 30 10 IDEE CC(C)(C)OC(=O)NCCN1C[C@H]2CN(CCOc3ccc(C#N)cc3F)C[C@@H](C1)O2 34604616 BLLNYXOLLAVTRF-HDICACEKSA-N 434.512 1.986 30 10 IDEE investigational C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1 45606620 SQWRJOYIGWWGDG-GOSISDBHSA-N 441.557 1.939 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 72443863 LDZAYCVMTMGMIQ-KBPBESRZSA-N 426.864 1.349 30 10 IDEE NC(=O)c1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 96348079 NWOFCKCXZDFZKY-UHFFFAOYSA-N 425.510 1.742 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 461734804 SPQHTJRXSAOJGS-UHFFFAOYSA-N 443.529 1.589 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 478741042 BAOHQROYGVEEOL-UHFFFAOYSA-N 445.610 1.812 30 10 IDEE CCS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486021216 SRCQCFBJTXGMOL-FQEVSTJZSA-N 425.510 1.812 30 10 IDEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O 487959609 RUNOAXXUWVBECC-IBGZPJMESA-N 429.473 1.876 30 10 IDEE COc1ccc([C@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)N2CCOCC2)cc1OC 489084831 YDBNKXMKNYHBTR-IBGZPJMESA-N 446.529 1.631 30 10 IDEE N#Cc1cc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1F 502036260 MTJXPTHKYXIQOE-ZWKOTPCHSA-N 428.489 1.575 30 10 IDEE N#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CC1 505959030 DCWKUIIDJPXYJO-LJQANCHMSA-N 432.546 1.730 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@@H]1CCCO1 514522470 AAWVXLIHRWDEAU-CABCVRRESA-N 447.582 1.113 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)cs1 514918297 VAYSAPFVCDFGBT-UHFFFAOYSA-N 428.514 1.831 30 10 IDEE C[C@]1(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)NC(=O)NC1=O 522455727 QBSJWBMGEQSYPL-JOCHJYFZSA-N 433.472 1.040 30 10 IDEE COc1cc(CNCCOc2ccc(C#N)cc2)ccc1OCC(=O)N1CCOCC1 525195615 YFZRKQICNQNNTJ-UHFFFAOYSA-N 425.485 1.973 30 10 IDEE CCS(=O)(=O)N1CCC([C@H](C)N(C)CCS(=O)(=O)c2cccc(C#N)c2)CC1 578674111 XOQZNOJOOPWOMH-INIZCTEOSA-N 427.592 1.714 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@@H]1CCCO1 590914086 VZHRORBSSXXZOF-AEFFLSMTSA-N 441.553 1.051 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1OC 614902970 QDYVQKOFPMBMIJ-INIZCTEOSA-N 442.537 1.834 30 10 IDEE CCOC(=O)c1c(NC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(C#N)cn1CCOC 619796578 KPYMBBUNPMNZJJ-BEFAXECRSA-N 448.520 1.872 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 728531570 HFUBBKFAXBKSFN-FHWLQOOXSA-N 432.565 1.448 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 732464747 ABHLWMNICXEQTE-XUTLUUPISA-N 443.479 1.390 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)CC1 734277433 CDROUSQAAHEKBN-SFHVURJKSA-N 429.521 1.506 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 757156038 FRZMEFXEZIUWAD-GTBONMDNSA-N 426.502 1.470 30 10 IDEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)N(C45CC6CC(CC(C6)C4)C5)C3=O)CC2)n1 760551507 MTTSCLXIYJCFQF-UHFFFAOYSA-N 448.527 1.792 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 767492621 URJQFJOIEIFKFY-HSZRJFAPSA-N 430.549 1.873 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 769089269 WBWBGBSSJLNDNF-OAQYLSRUSA-N 442.560 1.967 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 769611615 BATZUPSYPVDYMQ-HVCBDAARSA-N 425.407 1.889 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1 771073946 NMMZYGZUJSOJGQ-UHFFFAOYSA-N 425.532 1.227 30 10 IDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778757343 KYFMNUAXHLMRFW-GOSISDBHSA-N 431.445 1.958 30 10 IDEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C(=O)NC(C)C)n(C4CC4)c3=O)n2)c1 781136167 ICPYYLVDIFYNRG-UHFFFAOYSA-N 448.552 1.470 30 10 IDEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2ccc(S(C)(=O)=O)cc2)n1 789966093 DEOGMZQIJJJWCO-HNNXBMFYSA-N 446.558 1.711 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCC3)CC(=O)N2C(C)(C)C)cn1 796824118 OQZMHYUDHOGEHM-WBVHZDCISA-N 435.550 1.638 30 10 IDEE C[C@@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)n1cnc(C#N)n1 798747612 KVLJKTNDQXOODO-GXFFZTMASA-N 436.350 1.560 30 10 IDEE COc1ccc(CNC(=S)NN=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 917027075 ZWRPOWNWTNTPGT-MRXNPFEDSA-N 435.575 1.866 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 917767684 DVKQCORGADUHDG-MRXNPFEDSA-N 443.573 1.068 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1136085968 DTKRGXOEMAYJIM-QRQCRPRQSA-N 445.520 1.833 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CC1 1136632718 IMOAQXQHXFAMCY-UHFFFAOYSA-N 425.455 1.064 30 10 IDEE C#CCN1CCCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1136861927 QPJBORLWSZHHBP-UHFFFAOYSA-N 431.480 1.931 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 1141547941 ZMESAGAUZRUQMQ-UHFFFAOYSA-N 448.495 1.814 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccccc3CN3CCNC3=O)C2=O)cc1 1152733757 NHQQZXRJKYBUDL-IBGZPJMESA-N 446.467 1.927 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)cc1 1159159961 ZHJUVBDJQPLIQA-ZWKOTPCHSA-N 431.518 1.249 30 10 IDEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159490127 LOLYTHFSNAIPLN-KRWDZBQOSA-N 443.891 1.702 30 10 IDEE Cc1csc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1I 1159490142 LXKAFBKYBCRBNN-UHFFFAOYSA-N 442.238 1.492 30 10 IDEE CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccs1 1163188217 BMAKQOSOYSMDBD-GUYCJALGSA-N 434.543 1.498 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1C 1286291132 VWSLHZUYVUSJKD-OAHLLOKOSA-N 431.504 1.871 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1286294931 GUNFYYGTLGQDGI-HUUCEWRRSA-N 441.554 1.089 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)N(C)C2CCCCC2)CC1 1286471431 KBKMRCSWPLLWAU-LJQANCHMSA-N 446.596 1.548 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286560158 CFEJQVGNQHFPEL-HPFXQQBRSA-N 436.582 1.918 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1286645815 HGCCJZUTZDWNCN-IBGZPJMESA-N 438.532 1.940 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1286786457 SKRLARYTKABATG-IRXDYDNUSA-N 428.468 1.248 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286788606 ZPKFGRHAJJZTHZ-IBGZPJMESA-N 438.532 1.437 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)Nc1ccccn1 1286793347 CSQHOFDKKYFTNR-CYBMUJFWSA-N 443.418 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286817558 NTHSPGMHJXRCBI-UHFFFAOYSA-N 426.587 1.632 30 10 IDEE CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1291664497 DDDWNJSXYWIWRI-QAPCUYQASA-N 432.550 1.790 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1296994626 RRTQBWYHCIMOQL-KRWDZBQOSA-N 442.582 1.990 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1297716571 GFEXNQRJHBKPQN-VQTJNVASSA-N 439.582 1.883 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 1297918652 CPHBXGSDBLXUNY-NSHDSACASA-N 425.463 1.406 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300432544 LFTUQKQMFPSPHH-AWEZNQCLSA-N 437.426 1.258 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)N(C)C 1300562214 IAEPGEROQBEDMR-OAQYLSRUSA-N 446.577 1.899 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cccc(C)c1 1300665443 JLCPHPHUBLWJOD-HXUWFJFHSA-N 425.533 1.997 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2Br)CC1 1300681669 YEKAQDCWDGQELM-UHFFFAOYSA-N 445.365 1.982 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(O)(CCC)CCC)CC1 1300700821 XHSQVKUFIRYYKP-GOSISDBHSA-N 437.610 1.267 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300754911 YIYLELBMCCWNOY-IBGZPJMESA-N 425.606 1.923 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC[C@H]1C 1300804503 QASKDPDNVNINNY-BEFAXECRSA-N 434.504 1.831 30 10 IDEE C=CCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301452838 WNWXERQQRRBJTR-BZUAXINKSA-N 437.566 1.858 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1301568420 GKPYHUWLDPJJIQ-CQSZACIVSA-N 437.497 1.094 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1301596348 MEZUNFHHILUBNR-MAUKXSAKSA-N 430.596 1.473 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301596735 XJKGDWQYTFDVFN-MCIONIFRSA-N 438.472 1.886 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1302030021 QPFHMHKBBXHOFS-KUHUBIRLSA-N 436.513 1.936 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1302487336 POWPLXUOBRKSCY-MRXNPFEDSA-N 430.534 1.107 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@@](F)(C#N)C1 1302495293 PEYKKBJTONQBKA-HXUWFJFHSA-N 443.508 1.875 30 10 IDEE CC(C)CN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1303191283 XIAOILFYDNOQFH-VZCXRCSSSA-N 427.553 1.850 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1303469986 LOSYQRUINGZCFO-UHFFFAOYSA-N 441.517 1.695 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1305189205 ANSXMJUMLSMFLB-WGLILOHCSA-N 440.479 1.760 30 10 IDEE Cn1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cn1 1314905077 LOWKCWRKXTWGRS-BBWFWOEESA-N 442.524 1.559 30 10 IDEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1316045762 RCPDKEVIDKAKTI-UHFFFAOYSA-N 437.548 1.631 30 10 IDEE CCOC(=O)c1c(NC(=O)Cc2c(Br)cnn2C)c(C#N)cn1CCOC 1356402559 WOELFEFYDPAYRV-UHFFFAOYSA-N 438.282 1.860 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358965488 WDSZKHRRTXYFFT-MJGOQNOKSA-N 446.573 1.787 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965808 BLLWXLKREQHLGX-HBFSDRIKSA-N 433.622 1.978 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)c(OC)c2)CC1 1359037882 BCDMFKLSEGMFSG-UHFFFAOYSA-N 442.951 1.866 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2F)CC1 1359039975 CWRUEMNTBNGGGH-UHFFFAOYSA-N 444.486 1.709 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359296334 FQXDUZXFEKVLAS-MRXNPFEDSA-N 440.504 1.076 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359302380 FTNHMOATMFGMDE-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cccs2)CC1 1359331206 QUXZYCALOXLZNV-UHFFFAOYSA-N 445.574 1.724 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1436029846 PYRVRNRDIGBNCX-LJQANCHMSA-N 429.542 1.588 30 10 IDEE C=CCC1(O)CN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1455681793 KQEAYFVMIXWPEI-QGZVFWFLSA-N 442.541 1.872 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc2n1CCOC2 1456925928 SGCVMIUKUFOKBD-INIZCTEOSA-N 431.518 1.183 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2OCC)CC1 1469199641 KUMVVCGXGLIDJY-LJQANCHMSA-N 436.578 1.967 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1469536015 WNMQZVJRTHZEEY-UZLBHIALSA-N 442.541 1.568 30 10 IDEE N#Cc1cn(CC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(=O)nc1O 1469957395 SQQQHHZFDSZMNU-JSGCOSHPSA-N 441.410 1.003 30 10 IDEE C#CCN(C)CCCNC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1470097252 UQOUUJHYSFJESA-UHFFFAOYSA-N 445.383 1.290 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@@](CO)(c2ccccc2)C1 1472012414 RVRHRJCMOLXAGX-LMTLIKQPSA-N 427.526 1.714 30 10 IDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)c1=O 1502236055 GPPKEAVCAUZBEQ-UHFFFAOYSA-N 447.499 1.285 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1502284397 ACTHNOJYXAMIJZ-VAMGGRTRSA-N 438.532 1.661 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)OC)c1 1507549015 XQHNTLFETRZPHI-IBGZPJMESA-N 438.532 1.995 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(CO)c2)CC1 1507733122 PIUGRNTWTYTVJH-SFTDATJTSA-N 425.533 1.298 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507755737 CKJKQXOEVUVZPP-QGZVFWFLSA-N 426.546 1.746 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCOCC1 1507761017 DXOQRCINVUCJFS-FDDCHVKYSA-N 437.548 1.886 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1507835506 COJHTYHAGFLJJE-UHFFFAOYSA-N 445.593 1.886 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507928206 CCTQQZBVGTVABR-MRXNPFEDSA-N 429.525 1.343 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1508087832 FCANRGDPBOJQBE-MSOLQXFVSA-N 428.541 1.524 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1508125675 DTCDIMPWHAPNMO-HOTGVXAUSA-N 433.475 1.859 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508145212 KRQOJYMTDLBRPJ-FUHWJXTLSA-N 447.536 1.324 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1513056412 BSNIZVKGUZOFON-DOTOQJQBSA-N 432.550 1.819 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1514261798 GUAOPODUKIJASL-QFIPXVFZSA-N 426.521 1.663 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2COCCO2)c2ccccc2c1=O 1515942096 BMHLRLCFAFOYKV-HOTGVXAUSA-N 437.504 1.829 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)C1 1516400480 DTETXHTZIPPMFC-ZGOJQLDESA-N 431.468 1.655 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517597260 HIEPHYYAOFRCHW-RDJZCZTQSA-N 439.524 1.033 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1517620006 DXPRWICTJBLMIU-QGZVFWFLSA-N 439.501 1.025 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)ccc1F 1535033774 OZXNDKKTZMYMHL-UHFFFAOYSA-N 432.539 1.623 30 10 IDEE CN1C[C@H](C(=O)Nc2ccc(Br)c(C#N)n2)N(C(=O)OC(C)(C)C)CC1=O 1537244982 JSCJAJIFEBUBNK-GFCCVEGCSA-N 438.282 1.732 30 10 IDEE O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1537587454 WPGAIYKKBXFSDL-XAVMHZPKSA-N 446.266 1.933 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1538963741 STCNLZFTPCMUOY-INIZCTEOSA-N 444.561 1.271 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)NCC2CC2)c1 1539040386 SFPONHZHCCGTKZ-UHFFFAOYSA-N 443.511 1.923 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1539573526 AIWVAYVUMPCNFY-GFCCVEGCSA-N 440.302 1.594 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 1540861896 KPQLFZKRTFPPNA-UHFFFAOYSA-N 439.520 1.118 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1548326817 CQIGYJAMHUTMIJ-MAUKXSAKSA-N 428.534 1.286 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1554165382 SHMWLGFACUIPKL-KSZLIROESA-N 448.524 1.650 30 10 IDEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1554907435 CHHCMYFNRPRUMV-CVEARBPZSA-N 426.477 1.218 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)CC1 1556504172 NLEYYUSAHHCGOK-HXUWFJFHSA-N 440.544 1.415 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806023 BCAIQAGZVOXGHT-HNNXBMFYSA-N 429.477 1.241 30 10 IDEE COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)c(O)c2)c1 1569675705 GMGAOCLNNNBOGK-QGZVFWFLSA-N 429.429 1.772 30 10 IDEE N#Cc1ccc(OCc2ccc(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)o2)cc1 1584137480 SJIHFGMHFFQGNU-UHFFFAOYSA-N 446.463 1.893 30 10 IDEE CN(C)C[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1586903789 IZNLINOHCVCFFK-ZWKOTPCHSA-N 436.310 1.176 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1588060030 YBCCTJNWMNTKOY-AWEZNQCLSA-N 436.484 1.299 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCCS1(=O)=O 1588088956 DBQLGJBGATWGNZ-UHFFFAOYSA-N 437.569 1.856 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCOC)CC1 1588806417 PVHVBCATQUWMAQ-UHFFFAOYSA-N 435.532 1.467 30 10 IDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594793146 HFCGIYUTQSMGTJ-UHFFFAOYSA-N 428.493 1.960 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC(CO)CC1 1595821861 DEIAOBBSANXURX-UHFFFAOYSA-N 434.562 1.975 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)CC1 1611772513 XUIDHOSJQNKNOZ-CQSZACIVSA-N 431.509 1.982 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCCc1ccccc1 1612599606 LPPIRYGNPZWPGO-UHFFFAOYSA-N 430.516 1.539 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613216981 QDSWJJSBWFKBCK-HMWBCQRISA-N 430.509 1.707 30 10 IDEE CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1615133351 AOVXPCXLSLKXTD-UHFFFAOYSA-N 429.550 1.878 30 10 IDEE CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132090 QRHBLALYHKXFFS-OCAPTIKFSA-N 432.333 1.897 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1619995618 PECCSFKIUGOLLR-MXLIYFDZSA-N 444.536 1.909 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1620151515 XLTPUYRSURCYKX-KRWDZBQOSA-N 446.533 1.431 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)C1 1620154329 BOVUDJCIPUDMER-QGZVFWFLSA-N 445.936 1.990 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OCC 1622506686 VXABQEIVARVWCS-NSHDSACASA-N 447.311 1.677 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(-c4nncnn4)cc3)C2=O)cc1 1634919249 WIGQLLXWKONWSX-IBGZPJMESA-N 428.456 1.406 30 10 IDEE Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697109 IMPTWZBCHHDQED-GTNSWQLSSA-N 426.520 1.809 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)cc1 1635802154 LNFWSIBFQNSNSX-UHFFFAOYSA-N 432.477 1.827 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1641674925 NMRSEXZTAYYPGP-OAGGEKHMSA-N 430.571 1.940 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3c(cccc3S(=O)(=O)NC)C2)c1 1643070161 ZEFMDYHHVSJPLI-UHFFFAOYSA-N 426.498 1.282 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1650672487 LXSYOJBDLADEPP-RBUKOAKNSA-N 426.517 1.905 30 10 IDEE COc1ncc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C#N 1674321964 GBQUPYSXUMBBCK-KRWDZBQOSA-N 441.463 1.940 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1690059422 PSLXYWMQRWBNKZ-OAHLLOKOSA-N 429.550 1.706 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1690103856 HYEPXFWNYSICSS-GOSISDBHSA-N 431.562 1.403 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1690148403 FWXKGADVVVGGJI-QZTJIDSGSA-N 430.597 1.694 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690320425 SXURUGJNYZMQCX-IIBYNOLFSA-N 432.525 1.537 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690465398 ZHDFKIOBXZAUCS-VQIMIIECSA-N 442.607 1.552 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)C1 1695960936 WCZXQTQNRYNFCJ-MRXNPFEDSA-N 429.506 1.315 30 10 IDEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1698185146 VRIVDDTUUQLGDU-QZTJIDSGSA-N 440.504 1.340 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705476218 TYADDWRFARCOCY-CABCVRRESA-N 430.475 1.527 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705476221 TYADDWRFARCOCY-LSDHHAIUSA-N 430.475 1.527 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1705492045 KUGYTWHHVJIGDE-GOEBONIOSA-N 431.518 1.865 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1705534763 QYTHWUJVXLQZOE-HOTGVXAUSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705560353 FZSNKQNSULNOMQ-VQIMIIECSA-N 427.530 1.726 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1705717422 JZQFYUSDBDPLGY-KRWDZBQOSA-N 432.550 1.984 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705752064 HFFAFXJAHIAZBA-AWEZNQCLSA-N 425.946 1.595 30 10 IDEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1705795320 HGDURLUAURJDFM-RTBURBONSA-N 440.548 1.727 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@H]3CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908949 XZZNUJWCOUSFJB-SPEDKVCISA-N 433.553 1.484 30 10 IDEE CC(C)C(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1706232638 JDIVHWUYAYNYFW-INIZCTEOSA-N 437.552 1.695 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1710166946 QAKRJIXXIACXKZ-ZWKOTPCHSA-N 433.534 1.228 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCOCCCO)c1 1712878910 MRBIUVKDYKJLRX-PMACEKPBSA-N 427.505 1.600 30 10 IDEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722325630 AYFAAGOQDJTERI-HOTGVXAUSA-N 440.479 1.118 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CCOC 1722345444 ZGJQWZQFPUBFKD-FQEVSTJZSA-N 434.566 1.404 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)cc2C)CC1 1722438091 SVDBIOPADTWDTD-OAQYLSRUSA-N 441.601 1.795 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC1(C(N)=O)CCOCC1 1722472377 JPLIMPICFDOSSA-HXUWFJFHSA-N 428.562 1.908 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722494299 OILHHRJPUWTDCX-MKXGPGLRSA-N 433.553 1.782 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1722672913 CBJANUBNKASKII-SFHVURJKSA-N 431.562 1.504 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C)C1 1722693325 KCGCTVPVVVEMJF-MRXNPFEDSA-N 446.577 1.734 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1722693507 QBTQBOBWBYXBIX-DOTOQJQBSA-N 447.561 1.655 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC=C 1722707517 RGNQCRMJNSGMMZ-LJQANCHMSA-N 447.561 1.846 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1722712856 AOJSNPOJWZJRRL-QRVBRYPASA-N 431.585 1.037 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](COC)C1 1722729107 FNDLJDRIXVXVOU-OAHLLOKOSA-N 425.580 1.707 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1722864521 AXFNHMDIYRJJMJ-LHEBDHONSA-N 439.549 1.818 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1723783395 BRTGCMZVHDRPGJ-INIZCTEOSA-N 425.537 1.628 30 10 IDEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1728724655 BKIZQHFVWZWAJJ-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE CN(Cc1ccccc1)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1729414722 FKZODRDDRMFFOU-FQEVSTJZSA-N 431.500 1.651 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2ccn(C)n2)c1 1740563941 ZYLNEOFJVNOTGZ-UHFFFAOYSA-N 427.472 1.573 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1740573757 HIILOHRWWZAMNK-LJQANCHMSA-N 443.573 1.980 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N(C)C)CCSC1 1740641079 CKIYNAKRAQZYKL-OAQYLSRUSA-N 442.614 1.780 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)nn1C 1740669051 KQYMXBSBUBZQSG-UHFFFAOYSA-N 426.550 1.788 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1740671460 HVQKCKOUHDEMIC-PKOBYXMFSA-N 445.545 1.074 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(C(=O)NCC)CCC2)CC1 1740705104 AVZXZIDAUAVQOR-UHFFFAOYSA-N 428.581 1.749 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1740743451 WWQVKPMRTOUVDY-SNVBAGLBSA-N 439.314 1.733 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(N)=O)CC1 1740786802 OWTUFAYAAYYRRA-UHFFFAOYSA-N 427.509 1.610 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740957622 UXRNNCGRKOFSLQ-UHFFFAOYSA-N 425.453 1.522 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740966803 XNMXWNRJVBBUCK-SLFFLAALSA-N 445.612 1.427 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1 1740970034 YVWYARAYFPCUFM-KRWDZBQOSA-N 439.520 1.304 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(O)cc2)C1 1740972935 OYPGGSGUNSRXLT-CRAIPNDOSA-N 435.550 1.618 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747730057 CDDUTZAPOZENMX-RXVVDRJESA-N 445.545 1.230 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1747942350 NRKCXIQAFCVJOR-IBGZPJMESA-N 435.575 1.556 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2(O)CCO[C@H]2C)c1 1748691883 NMBRBLJIIZUMNU-XDHUDOTRSA-N 446.511 1.936 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1748840467 BIRFKEFYADRXBS-QHCPKHFHSA-N 443.555 1.756 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1748971240 JAOUKAAZNJRUJG-GOSISDBHSA-N 440.523 1.876 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749031546 ABTKLQQTFOHMSG-MRXNPFEDSA-N 436.607 1.416 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749670937 XMMMGJVWDLXQFR-QZTJIDSGSA-N 433.553 1.496 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749681220 YNOLQQCBRBRHMW-ZHRRBRCNSA-N 445.495 1.683 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1750057219 QOQLTRAHCOVVBF-IBGZPJMESA-N 426.521 1.831 30 10 IDEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCSCCCO)C2 1751307749 AUCBBMMITJUZET-OAQYLSRUSA-N 442.545 1.963 30 10 IDEE Cc1cccc(C)c1NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1751596328 AGCGPPXMMMASSP-KRWDZBQOSA-N 437.504 1.498 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCS(C)(=O)=O)c1 1760128497 JXMOGVFRMNAJHY-GOSISDBHSA-N 445.545 1.621 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1760144334 MDPRQLPLWJZAJQ-UHFFFAOYSA-N 437.548 1.887 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760190138 YLWDKMNTAPDUBC-MOPGFXCFSA-N 444.557 1.660 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760206602 GAOMWCAYCUZPGA-QFIPXVFZSA-N 446.555 1.374 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1760241718 HNVVFJYQOOJORD-YLJYHZDGSA-N 440.523 1.729 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760242475 DVPUAFKUWQZMRZ-JTSKRJEESA-N 440.504 1.350 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760273016 ZIQBIFQGIPHPCJ-HOTGVXAUSA-N 430.534 1.532 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760521035 HXPVPHUSHPXTQW-UHFFFAOYSA-N 436.520 1.569 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760525401 DUMQNOGYPQCLOY-INIZCTEOSA-N 437.591 1.636 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)[C@H]1CC 1760527840 KFZFPDZWNCSSIO-OAHLLOKOSA-N 444.561 1.596 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1760653596 DMZCNQNCHWNBAJ-CTNGQTDRSA-N 438.532 1.975 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1761261444 HCIWSGYOMBZTTR-UHFFFAOYSA-N 437.548 1.785 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1761263170 PKSXEYXNMBPPIN-UHFFFAOYSA-N 439.564 1.626 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1761363190 LJCGGGSTEFUQLY-HUUCEWRRSA-N 437.526 1.018 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1762701001 RQOCNDACGLYJJH-WMLDXEAASA-N 446.458 1.820 30 10 IDEE COC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1767966954 ICZKHIIDOCXTPT-HNNXBMFYSA-N 441.540 1.218 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1769559204 FCOLCVGFVSNZGI-JTSKRJEESA-N 442.568 1.835 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2C[C@H](F)C2)C1 1770350020 SJMMEMXRLVISFM-BRWVUGGUSA-N 440.545 1.489 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C1 1771252265 MWVVYIIUTFHPRD-SIKLNZKXSA-N 427.505 1.864 30 10 IDEE CN1CCN(c2nc(NC(=O)c3cc(Br)ccn3)c(C#N)cc2C#N)CC1 1851835472 PGMWLWXYPBOYFT-UHFFFAOYSA-N 426.278 1.987 30 10 IDEE CN1C=N[C@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)C1 1851917922 QKLMOWYYNWUDKC-ICSRJNTNSA-N 427.482 1.665 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CC[C@H](Sc3nnnn3C)C2)c2ccccc21 1852198595 WJXWNLOBHHEMFN-HNNXBMFYSA-N 427.534 1.991 30 10 IDEE CC[C@H](C)CC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855844787 HBUCAUZGFNNRLP-WMZOPIPTSA-N 432.546 1.428 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCC)cn1CCN1C(=O)CSC1=O 1870534253 VIMYAQUTKUUPNR-UHFFFAOYSA-N 448.545 1.233 30 10 IDEE C=CCOc1ccccc1OCC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 1873691963 JPQIPBDYWNZYIG-GOSISDBHSA-N 437.496 1.916 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCN(C)C)ncnc21 1875230923 SRHXKTKRUHENPN-UHFFFAOYSA-N 435.536 1.343 30 10 IDEE C[C@@H](Cn1cnc2c1CCCC2)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889339148 MTSSXTISKJHKPH-NRFANRHFSA-N 441.620 1.656 30 10 IDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(COc4ncccc4C#N)CC3)cc21 1891706213 WIWIAJHNAFZMHK-UHFFFAOYSA-N 428.470 1.878 30 10 IDEE CC(C)(C#CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O)NC(=O)OC(C)(C)C 2023915201 WHZPCWBIMBSHTA-CQSZACIVSA-N 439.509 1.826 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2060624905 DFBYQTABFZLSJA-HUUCEWRRSA-N 437.346 1.807 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624932 DRAMADJRMSBNOT-RHSMWYFYSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCO1 2124533302 OCKCNEGVWFDCSO-NRFANRHFSA-N 448.329 1.788 30 10 IDEE CCc1nn(C)c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626867 LIHWKYSQHYIOME-ZIAGYGMSSA-N 434.346 1.677 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628588 JWGUVJCEXDDUAJ-KGLIPLIRSA-N 432.330 1.933 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](F)C1 2255631878 FYWCJEBVRSUQRA-CHWSQXEVSA-N 438.309 1.786 30 10 IDEE CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2255665802 KLQXCGDDKFPHTL-UHFFFAOYSA-N 429.248 1.871 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818083 GIVPZHRNCMKMDT-KBPBESRZSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256729439 ROCSMMKTPUHGKT-XHSDSOJGSA-N 438.330 1.118 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2267182026 ALRWENBNGIXYEN-UHFFFAOYSA-N 449.313 1.031 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267189664 DFQFOICLVDMTJB-QHCPKHFHSA-N 440.353 1.466 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)n1 2267191306 ASAHNYICHSEPRN-SFHVURJKSA-N 439.369 1.756 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H]2COC[C@H]12 2267284455 CRUIIVKUUFCKEE-RBSFLKMASA-N 448.325 1.943 30 10 IDEE CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](CNC(=O)C(F)(F)F)C1 2267286940 RZMDYOPTDHWKHF-GFCCVEGCSA-N 445.247 1.014 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267556840 HTLJHMTUEQEZJA-OAHLLOKOSA-N 449.357 1.860 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2267592696 GCRPITGTJLOBMX-ZDUSSCGKSA-N 441.259 1.912 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2267596347 IWZXXCBCXRECSB-GOSISDBHSA-N 433.321 1.626 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2Cl)OC1(C)C 2282305888 FMSGVSBDMGNYCP-VIFPVBQESA-N 441.789 1.166 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2312854910 BUDKJMMNDFOTPB-YUELXQCFSA-N 432.330 1.457 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2341156614 GRIAMUHPXSXEIJ-DZKIICNBSA-N 446.357 1.847 30 10 IDEE Cc1nnc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)[nH]2)s1 20832562 VZGGJNHLEGOKAP-PJQLUOCWSA-N 435.451 1.755 30 10 IDEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1C 102526063 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539452396 AIICYGKSXCCJQX-IAGOWNOFSA-N 442.559 1.846 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554124346 QNMCVJJDXWZOAP-KBPBESRZSA-N 434.468 1.706 30 10 IDEE COc1cc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1C#N 572173873 WXIFGEPAPXMMCR-UHFFFAOYSA-N 445.497 1.713 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)CC1 589446623 DEYBCRVIFOTVOU-UHFFFAOYSA-N 441.576 1.397 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 731345255 JFUQFGPJECDGFO-UHFFFAOYSA-N 431.558 1.899 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 732152863 CDVJYPANHOOSQM-XUTLUUPISA-N 426.860 1.806 30 10 IDEE COC(=O)CCc1c(C)nc2c(c1C)c(=O)n(CN1CCN(C3CC3)[C@@H](C#N)C1)n2C 734244407 TWXDZVVTSNWOSN-KRWDZBQOSA-N 426.521 1.087 30 10 IDEE CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccn1 749643454 CHPQUDXRJRZCAJ-MRXNPFEDSA-N 448.483 1.371 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C(=O)O)[C@H](C)O 757263858 HOEWBQORGOKOMI-SZFUDVHCSA-N 436.464 1.867 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 765262710 LLJQZOJSAZTEJV-ZBFHGGJFSA-N 434.518 1.193 30 10 IDEE C#C[C@@H](NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)[C@H]1CCCO1 775331334 YLKKZLXUXGLRAH-HUUCEWRRSA-N 443.319 1.099 30 10 IDEE Cc1cccc(CS(=O)(=O)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 778823371 ADDQASHFEADYDJ-SFHVURJKSA-N 440.481 1.718 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 779379355 APUGNINVADHWTI-XJKSGUPXSA-N 444.340 1.931 30 10 IDEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCCO4)c3=O)n2)c1 781134936 XKHJBPRVNNPUOT-IBGZPJMESA-N 432.509 1.313 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 790686255 CEQVMFYZEIEDNW-GAJHUEQPSA-N 441.484 1.795 30 10 IDEE CC[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 795330361 YTKZQDICLKUCQZ-GOSISDBHSA-N 427.548 1.171 30 10 IDEE Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cnn1C 916948060 CRHFXXMWUHBYIL-QGZVFWFLSA-N 429.502 1.864 30 10 IDEE COC(=O)c1cccn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1=O 1125125361 GKKWBXBQSYLNAP-XLNRJJMWSA-N 446.485 1.086 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc4c(Br)cnn4c3)CC2)c1C#N 1128029741 DFQRPUDYMQXVSE-UHFFFAOYSA-N 428.294 1.973 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OCC 1132934386 HRSNXWXDQQWEDD-QGZVFWFLSA-N 432.477 1.891 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1 1136955325 FENVXFDLRJXOEM-VQIMIIECSA-N 440.525 1.646 30 10 IDEE C=CCOC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1139176525 ZFFBPYBNKVGXJF-AWEZNQCLSA-N 428.507 1.246 30 10 IDEE C=CCn1c(SCC(=O)N(C)CCS(N)(=O)=O)nnc1-c1ccc(Cl)cc1 1153995840 AWVKTAHZCTYMBV-UHFFFAOYSA-N 429.955 1.624 30 10 IDEE CN(C)CC#CCNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1170993487 BDHDCZKPBFMVIG-UHFFFAOYSA-N 433.508 1.663 30 10 IDEE CCOC(=O)c1nc(N)nc(N2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 1176771906 XEHQQVVMIZKYBZ-UHFFFAOYSA-N 434.422 1.823 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 1228147188 GWPXEYYCFDVTMX-UHFFFAOYSA-N 427.530 1.815 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C(C)(C)C1 1251290958 FLWPTTNUONHPJI-KSMMKXTCSA-N 426.539 1.212 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286312373 VDZBGMUAQYLIDW-UHFFFAOYSA-N 436.582 1.178 30 10 IDEE C#CCCCCn1c(COCC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286334252 HFKDBESRJBFXIK-SFHVURJKSA-N 439.582 1.249 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1286390850 AJENEWOHWKVPBT-GOSISDBHSA-N 429.546 1.070 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1286407518 KWIZNJYWPOCLCA-FGZHOGPDSA-N 430.556 1.867 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286667020 NBVLBJLVUCKOHK-UHFFFAOYSA-N 440.614 1.879 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1286959299 FHKWAQUZBCJJKD-DLBZAZTESA-N 449.519 1.922 30 10 IDEE N#Cc1c(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)nc2n1CCOC2 1289682976 FFYAPAUTAZDDTJ-CYBMUJFWSA-N 428.836 1.782 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1300493858 WOVJDYSQYKVFJF-MRXNPFEDSA-N 442.570 1.974 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301065483 FQIOKDWEKWKQTB-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1303555883 WFRVFSZODOVTAC-SFHVURJKSA-N 439.520 1.758 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1304236611 KAZZYTUOHVJNCE-GDBMZVCRSA-N 433.582 1.907 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)cc1C 1304378194 ABPYCOFDWCZDLD-FQEVSTJZSA-N 449.437 1.971 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1314760272 HCIPRFSJSOJDAS-UHFFFAOYSA-N 432.410 1.865 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1314868442 MLDDHUKCPMPXHQ-UHFFFAOYSA-N 428.522 1.089 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1315610579 ZXVVPFTWWBFNSE-RBUKOAKNSA-N 440.548 1.919 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1358959612 MISGTNMBGISEGA-KRWDZBQOSA-N 446.529 1.463 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358960874 NHHYHNBZCQLMEQ-HZPDHXFCSA-N 437.472 1.391 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964450 ZFSSDYXPQWDOEG-CVEARBPZSA-N 439.582 1.628 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358965641 YRAOQKDIPIRVFV-QGZVFWFLSA-N 449.602 1.566 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1358971815 JRDNPRJKZLANLX-XDOYNYLZSA-N 430.468 1.553 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2CC)CC1 1359035986 JZNWTJLXMBNJEI-HXUWFJFHSA-N 427.574 1.546 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1359070567 PHQIFMLAIRZGRF-LVCYWYKZSA-N 436.578 1.758 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359303323 KCOFIWUTIDQBTA-GOSISDBHSA-N 447.561 1.215 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2)CC1 1359304029 JBVGJDSPPAAMJK-UHFFFAOYSA-N 434.548 1.769 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1359305699 KRBVTOSBPKDKFD-UTKZUKDTSA-N 431.493 1.403 30 10 IDEE CCOC(=O)[C@H](COC)N(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1435926105 FIJDHTQCHNRLAS-MSOLQXFVSA-N 442.472 1.332 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)nn1 1464228367 LMUYZBDYCJVQNF-UHFFFAOYSA-N 449.352 1.499 30 10 IDEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OCC 1468126367 UHXQIULQDLVPAH-INIZCTEOSA-N 427.523 1.706 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 1479159988 QMQOZBRAGLITNK-QGZVFWFLSA-N 433.472 1.860 30 10 IDEE CC/C=C/Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499826952 HKORWRUTJKLAQV-XGACYXMMSA-N 428.518 1.681 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1503525857 LIDJWAOQVNDSMX-HTXNQAPBSA-N 426.456 1.446 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1503704364 FPSNGBFBNDUPAA-QGZVFWFLSA-N 439.564 1.746 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1503841216 NWGXASOTENROCM-OTWHNJEPSA-N 444.561 1.465 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507589649 YEIJOUWCVBNEOI-LPHOPBHVSA-N 445.545 1.722 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507633067 RLFVAHBXEJYNDO-IEBWSBKVSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1 1507645301 WYVLDSLTHSUSJF-UHFFFAOYSA-N 437.529 1.183 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(C)(=O)=O 1507661841 KKAXRZXHLGFMTO-UHFFFAOYSA-N 437.472 1.559 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cc(CO)nn1 1507680632 GRKHVCVPLBDBQE-UHFFFAOYSA-N 431.504 1.969 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1507688440 AINRAUNYNMTAAC-LJQANCHMSA-N 447.561 1.458 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507744547 SRWMHUZWOIXSDN-OAHLLOKOSA-N 427.596 1.186 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 1508079831 DOCZBYSFKHGCSY-UHFFFAOYSA-N 439.549 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C)C1 1508148880 LEBRLJFWPOEKKG-MRXNPFEDSA-N 436.534 1.692 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1508768837 NIGRRJRFPNQXEA-HSZRJFAPSA-N 435.532 1.600 30 10 IDEE CC(C)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1COCC12OCCO2 1528591002 SRVZCEORKCGULY-GOSISDBHSA-N 436.530 1.910 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCOCC1 1539001709 IETYMAGTLGGFQV-SFHVURJKSA-N 433.516 1.838 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1539013025 HQVZVMBCCCCOTD-IEBWSBKVSA-N 443.573 1.801 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539220364 REIQFTLNVARSTC-ICSRJNTNSA-N 445.589 1.779 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCN2CCCS2(=O)=O)CC1 1539441175 LNQBVJVMTXXEAU-UHFFFAOYSA-N 428.562 1.044 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(C)CCCO2)CC1 1539469709 UWMALERAKZAETM-XZOQPEGZSA-N 445.564 1.465 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1539751026 FXRGTEWQEVAPBC-FUHWJXTLSA-N 434.566 1.848 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1540878228 RRTZGOAOBJRZFU-JPYJTQIMSA-N 438.532 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCc3oncc3C2)nnc1[C@]1(OCC)CCOC1 1540908250 DNYWXLKHEFUHJD-IBGZPJMESA-N 437.522 1.082 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(CS(C)(=O)=O)c2)s1 1546202056 PZQLLKDBNXGWHP-UHFFFAOYSA-N 442.584 1.616 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccccc2C(=O)NCCC(N)=O)CC1 1546318132 XXCFBGLDPNXOFT-UHFFFAOYSA-N 442.516 1.881 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555692443 DUDKEJBRXMCBBX-UFVMTTLYSA-N 444.536 1.704 30 10 IDEE N#CCOc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1584654872 QFUJRERILHVHFH-UHFFFAOYSA-N 445.497 1.735 30 10 IDEE Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cc(C#N)c(O)nc2=O)c(C)c1 1584873339 GFLQEVOPURJKPL-MRXNPFEDSA-N 427.486 1.368 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588050283 QJEXQCCZYGOCRR-IEBWSBKVSA-N 430.578 1.697 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 1588199642 VTHFKJNSGNVWHG-UHFFFAOYSA-N 441.509 1.907 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCC[C@H]2C)CC1 1588954456 HTVHCWGMMBPRCS-LJQANCHMSA-N 435.576 1.714 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1589287542 AWCCNYBALKWXIP-CYBMUJFWSA-N 425.331 1.526 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1593799783 DMHCAFLXAKUYRY-UHFFFAOYSA-N 435.960 1.995 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N2CCNC2=O)CC1 1595561958 JFONGUVBLAOHAY-UHFFFAOYSA-N 429.550 1.227 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1595593429 DJSCIAUNKBSKIY-QFIPXVFZSA-N 442.520 1.130 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595799353 ZAZHQRZATXIFSU-RDJZCZTQSA-N 425.555 1.178 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCSC2(CCOCC2)C1 1595811923 HASNBOARJCJNPW-UHFFFAOYSA-N 426.608 1.934 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(C)C)C1 1595821714 CLRMYMQLEMKPLD-SFHVURJKSA-N 436.582 1.602 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccc(F)cn2)CC1 1595831431 QIZIWRFKOBVPFK-UHFFFAOYSA-N 438.529 1.276 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCS1(=O)=O 1603554328 QFXCSAGNFYCQGA-QGZVFWFLSA-N 444.561 1.979 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1611658251 AGRMCEZGMGMMIQ-LSDHHAIUSA-N 448.549 1.836 30 10 IDEE N#Cc1cc2c(n(CC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)c1=O)CCC2 1615015416 CTYISFAPPCLTCR-MRXNPFEDSA-N 431.539 1.486 30 10 IDEE CCN(CC(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1615298211 JMMCRJJZBDKMGO-QGZVFWFLSA-N 436.538 1.606 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1618040516 ALMCSFDTJJYXFV-GJJHYRHESA-N 437.562 1.746 30 10 IDEE CC1(C)C(=O)N[C@H]1C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1618148097 SIRDQOSZBOUZKL-IRLDBZIGSA-N 441.551 1.771 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1620001682 JHSOQSRVPOHQTO-PGRDOPGGSA-N 447.584 1.296 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)n1 1627778782 HXGSWJBVEPCFKB-UHFFFAOYSA-N 425.489 1.868 30 10 IDEE CN1C[C@@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1632183714 RBNNSCRZIJQTQL-ZWKOTPCHSA-N 428.489 1.536 30 10 IDEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1636193534 KRTLCFHTRAZCJY-GOSISDBHSA-N 430.549 1.808 30 10 IDEE COc1n[nH]c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1Br 1636240909 MORCVDYQHJALJV-MRVPVSSYSA-N 428.268 1.358 30 10 IDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)COc2cccc(Br)c2C#N)cn1 1636425719 XPYBMAGWQIVMQT-CYBMUJFWSA-N 438.282 1.389 30 10 IDEE COCc1ccc([C@H]2COCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 1638856652 ZCFHGWQQMKYGFE-RDTXWAMCSA-N 433.486 1.565 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 1645163993 SXWIFEDWHMLCPF-UZLBHIALSA-N 442.541 1.108 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 1647069096 SGXNUMMJXRBESE-MJGOQNOKSA-N 435.565 1.712 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(-c4ccc(OC(F)(F)F)cc4)[nH]n3)C[C@H]1CS(=O)(=O)C2 1648155683 NHJANOUSJGJLQA-YVEFUNNKSA-N 440.403 1.986 30 10 IDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F 1650957383 CDZSMOBJJKFEIX-LLVKDONJSA-N 434.308 1.920 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3cccc(OC)c3)nc3ccccc23)CC1 1655796583 YHUIQQMZAJQEMZ-UHFFFAOYSA-N 437.525 1.895 30 10 IDEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc21 1662001405 PTMOCGOUISCSEW-VXPUYCOJSA-N 446.529 1.526 30 10 IDEE CN(C)S(=O)(=O)C[C@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C(F)(F)F 1663862418 DUDYLFMPOVSEER-VIFPVBQESA-N 444.233 1.660 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1671751404 WHPBNTMOAZHYMC-UHFFFAOYSA-N 426.340 1.518 30 10 IDEE CN(c1cccc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1)S(C)(=O)=O 1685626986 ODANLGDMBKHMFT-GOSISDBHSA-N 429.502 1.712 30 10 IDEE C#CCOc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1686550373 RTEFYGBKWOZQEY-KRWDZBQOSA-N 442.516 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1689852114 AJARCOCUAFUSPO-RCCFBDPRSA-N 449.552 1.850 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1690433220 UEMBGDXBPTXGGJ-HNNXBMFYSA-N 432.612 1.653 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1690484830 FJNMPODJDGGGSU-GOSISDBHSA-N 440.614 1.498 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1697778944 DVQARHMEAXBKEI-ROUUACIJSA-N 441.511 1.802 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1705565205 TZTJBEYQOQLTNW-LJQANCHMSA-N 431.562 1.150 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1705582439 BDKZNIPWVCLIKI-FQEVSTJZSA-N 441.557 1.235 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCC(=O)N1CCOCC1 1705587440 VGPNMZYBUBXIAE-UHFFFAOYSA-N 425.464 1.318 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CC)CC1 1705647922 LPXIHJMYYGAOME-QGZVFWFLSA-N 435.594 1.582 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cnn(C)c1 1705680488 BUROTKJVAOFFAC-LBPRGKRZSA-N 446.375 1.557 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1705812169 RZSLIVSZJHQNRT-MRXNPFEDSA-N 438.598 1.836 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705829631 YAEIMODKNOANTP-OALUTQOASA-N 431.585 1.038 30 10 IDEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1705831047 FEVMFSNVEBEVBT-UHFFFAOYSA-N 428.537 1.932 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705868846 DBLGYONUOSRIMV-MRXNPFEDSA-N 445.549 1.385 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1705896574 RECYVKLYRJKYTI-UHFFFAOYSA-N 441.446 1.612 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2C[C@H]2C)C1 1705924923 HPIRTSGKMJBRQD-TWMKSMIVSA-N 425.555 1.048 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1706087622 DFXTUOVTCUJELX-UHFFFAOYSA-N 448.535 1.588 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1706641348 AQQDPLOTQRNMAZ-RBUKOAKNSA-N 442.520 1.229 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1712841017 ZQKPWDGGVYLQAK-RJNPEMNYSA-N 425.468 1.585 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@H]1OC 1722342642 UDKDHMNHNXDIMX-SJLPKXTDSA-N 431.924 1.982 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722364890 BPDDTACXNYKMGU-HAGHYFMRSA-N 449.621 1.529 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722367164 VHFVLLQQYHUSCA-DZLKFECGSA-N 428.624 1.966 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722367326 MQWCJVLPGZPPLT-IRXDYDNUSA-N 432.546 1.943 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)nc(N2CCCC2)c1 1722371094 TYOMXCRJXIOKDZ-UHFFFAOYSA-N 431.544 1.939 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CC)C1 1722375854 SRAJQDLGOIFABV-GOSISDBHSA-N 425.558 1.763 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1722383522 IQDQHRCULGUJQS-LJQANCHMSA-N 427.530 1.041 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1722389845 MRAOPKFDGZLNGI-KRWDZBQOSA-N 429.546 1.603 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1722389846 MRAOPKFDGZLNGI-QGZVFWFLSA-N 429.546 1.603 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722395710 OFFYZMMWBRPJBL-UHFFFAOYSA-N 448.531 1.396 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2Cc2cnnn2C)n1 1722427103 GKYUYGJGJZFQEO-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](CC(C)C)N(C)C)CC1 1722438683 YACVKDMNPCCPFI-GOSISDBHSA-N 441.580 1.737 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722459636 OFQHSBQDVTWOQA-MSOLQXFVSA-N 434.610 1.185 30 10 IDEE C=CCN(C)c1nnc(COc2ccccc2CC)n1CC1(O)CCS(=O)(=O)CC1 1722642615 JGZWDJNIIYXJOD-UHFFFAOYSA-N 434.562 1.981 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1726446430 OYZYXTYFFCGOAG-MRXNPFEDSA-N 435.532 1.790 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1726666202 HEOVHKOSPPGUGM-RDJZCZTQSA-N 430.534 1.323 30 10 IDEE CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1727897531 XXLFEMKWPOXKFN-YJBOKZPZSA-N 439.520 1.875 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(C)C)C[C@H]1O 1729783308 WAUXLCJTMBQXFX-WOJBJXKFSA-N 440.548 1.907 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1729907531 HDUFYLCXYRTUMQ-KGLIPLIRSA-N 426.468 1.656 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740533815 UNRQCLLLLJFUHN-IHRRRGAJSA-N 436.607 1.976 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1740618251 FWUJMHSIQLAYCV-MRXNPFEDSA-N 428.518 1.563 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740620567 DXVBHKVYGWEHPI-SFHVURJKSA-N 446.577 1.012 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc(C)cn2)CC1 1740692852 PUFNAKHEYLJTQK-QFIPXVFZSA-N 427.553 1.279 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740710052 PMASDGQCOIQKMK-XGHQBKJUSA-N 433.578 1.653 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740884498 CONHGEJGNLBEQG-CQSZACIVSA-N 437.522 1.222 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)NC)CC1 1740953357 CPOFBPOYIYKWMP-UHFFFAOYSA-N 449.519 1.099 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc(COC)n2)C1 1740983337 GMFGHBULDAHVKQ-MRXNPFEDSA-N 432.550 1.833 30 10 IDEE CCc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1744550030 WPLIQYMCUJHING-QZQOTICOSA-N 438.488 1.775 30 10 IDEE CCN(c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1745968848 KDJDOGZGUVUFDK-QFPXGYFVSA-N 448.549 1.085 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1748571911 IBIQFBFQMVEHKE-RTWAWAEBSA-N 428.468 1.883 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1748805485 SHXVSKRGYBHEEC-AEFFLSMTSA-N 448.545 1.383 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748815351 PHXOZWROCMFIFE-TWFHAPMSSA-N 436.578 1.350 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1748819078 KFPCZOASDCVBFG-MSOLQXFVSA-N 431.587 1.786 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1748819081 KFPCZOASDCVBFG-ZWKOTPCHSA-N 431.587 1.786 30 10 IDEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1CC1CCS(=O)(=O)CC1 1748965529 UEVZGPGJYCXHBG-UHFFFAOYSA-N 430.574 1.974 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749031572 BAMJTLQAGLCNJQ-UHFFFAOYSA-N 425.562 1.107 30 10 IDEE C=C(C)COCCn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749241186 HCUHCDLZTZWSIQ-CALCHBBNSA-N 448.568 1.920 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749434580 XLBXVWVTSRAJCN-OAQYLSRUSA-N 429.525 1.181 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1749590961 KDMLKPUQTQTELH-AEFFLSMTSA-N 447.561 1.882 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1750547023 OMAYTGIALLBPOU-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1751094253 GUGNXSMVLDPGNZ-VQIMIIECSA-N 425.537 1.956 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1751099063 TWERMLSJCDQCOQ-BZUAXINKSA-N 426.587 1.874 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1760196651 PZHMHSUFUYZQOX-DEOSSOPVSA-N 435.528 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1760220293 YUUCJWAOVSACTN-KRWDZBQOSA-N 433.559 1.184 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1nnc2n1CCC2 1760250419 HYPSLRXWFMZTDY-UHFFFAOYSA-N 427.459 1.819 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760367064 MUYINMJPNXRQCH-AWEZNQCLSA-N 435.978 1.615 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1760444871 TWMBROGBWSRBHH-AUSIDOKSSA-N 446.596 1.639 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1OC 1760461484 VTLFSWGGZCJHHN-RDJZCZTQSA-N 434.566 1.912 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760520511 QCWHFBZOHZYPEF-QGZVFWFLSA-N 438.536 1.225 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760562821 WZSYSBGISLCGLZ-INIZCTEOSA-N 427.534 1.732 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)C(=O)NC 1766089537 DRVKJORBZDRWBF-INIZCTEOSA-N 442.520 1.757 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1767251436 AJFFKAMOCQXSLD-GOSISDBHSA-N 440.533 1.117 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1769586320 GSNKRGVPDRHMMJ-KRWDZBQOSA-N 436.520 1.824 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1772842418 BWGKEXOLQVCHBL-CABCVRRESA-N 442.524 1.080 30 10 IDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)[C@@H]1CCN(C)C1=O 1852959912 LUMDUTXEIXRKCI-SJORKVTESA-N 427.954 1.888 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@@H](CN3CCN(C(=O)C4CC4)CC3)CC2=O)c1 1856197826 ZINYTZNZHSNAFJ-MRXNPFEDSA-N 428.920 1.949 30 10 IDEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2c(N(CCO)CCO)ncnc21 1873646475 LFGKGCQNULTZAZ-UHFFFAOYSA-N 426.433 1.569 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890426711 KTPGQXTWTHOUMS-UHFFFAOYSA-N 433.574 1.310 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060624548 ZGHFXUMXQZULIT-CQSZACIVSA-N 436.318 1.380 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255625353 QDURKUKULLDZRN-ZFWWWQNUSA-N 434.346 1.847 30 10 IDEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2255630077 FJEMJFOITRKJRZ-ZIAGYGMSSA-N 434.346 1.942 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2255647456 ZCRPFWPQSGUYBW-DZGCQCFKSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255791463 PKRFZBOCVQEDPO-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256668725 FIJDKZANZLPVIJ-LBPRGKRZSA-N 439.293 1.592 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)n1 2267188033 GUWGSRUPIWFGRG-GJZGRUSLSA-N 446.357 1.562 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2267251902 OLTMHTYDYQZSMT-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE CC1(C)OB(c2cncc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2267267969 NZDXCMRCUVKCSK-NRFANRHFSA-N 436.365 1.585 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267599700 UGDCFIFWOQPKGE-RHSMWYFYSA-N 449.357 1.282 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 2339880103 BEWHQVQMXWYTKP-MRXNPFEDSA-N 449.357 1.959 30 10 IDEE N#Cc1ccc(O[C@H]2CC[C@H](NS(=O)(=O)c3ccc(OCC(N)=O)cc3)CC2)nc1 238923997 ULQYPNAPPOGGPU-JCNLHEQBSA-N 430.486 1.486 30 10 IDEE Cc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccncc3)nc3c2c(O)nc(=O)n3C)cc1 254311687 KHXNSRRAOQASMY-MRXNPFEDSA-N 449.471 1.425 30 10 IDEE O=[N+]([O-])c1ccc(NN=Cc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1 254701932 KETOMZCPURKWAV-UHFFFAOYSA-N 434.430 1.790 30 10 IDEE CCOC(=O)[C@]1(C)C(=NNc2ccc(S(N)(=O)=O)cc2)C(=O)C(=O)N1c1ccccc1 254845001 IROMPQCBXOJPLO-FQEVSTJZSA-N 444.469 1.040 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CCO1 409482961 FYWAZWIXEGOBKQ-INIZCTEOSA-N 429.340 1.036 30 10 IDEE CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 439607595 SNDFUJXKILMPGV-UHFFFAOYSA-N 449.577 1.350 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC(n4cc(C(N)=O)nn4)C3)c2)c1 467089450 DGYCBNYQNCPUQR-UHFFFAOYSA-N 444.451 1.652 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 478747455 OQDQHVBMGJPXIF-ZDUSSCGKSA-N 441.509 1.993 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 479833678 AETFVIMACIEOOW-MRXNPFEDSA-N 432.546 1.476 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)CC1 492375381 KJLJIFBALLOLDT-UHFFFAOYSA-N 431.518 1.286 30 10 IDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508815383 AEHSJHDWXBHKRH-UHFFFAOYSA-N 443.533 1.566 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)C(C)(C)C1 517714614 WTLMSKQWMMYDJN-UHFFFAOYSA-N 438.575 1.938 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(C)C)c2=O)cc1C 517984629 FUBBVUSELGPRKZ-UHFFFAOYSA-N 425.554 1.973 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cccc2CC)c1=O 526038240 QPIGWYVMTARJNS-UHFFFAOYSA-N 429.517 1.429 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCOC2)c1=O 527279944 HZIIERGSCLAFIR-OAHLLOKOSA-N 426.542 1.596 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C1CCN(C)CC1 532708624 IAYUBKOSYYKPIH-UHFFFAOYSA-N 444.626 1.785 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)CC1 532740982 LKBVNTSFFMCXNZ-UHFFFAOYSA-N 448.593 1.013 30 10 IDEE CO[C@@H](C)c1noc(CN(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 537250288 BCBMYJPFQNNZIR-MAUKXSAKSA-N 430.484 1.757 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 537302353 YTUWTGPWPBKELT-AWEZNQCLSA-N 432.506 1.923 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 537472116 NUGKIUJGVTZTRE-AWEZNQCLSA-N 426.498 1.907 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc(Br)cn3)CC2)CC1 540349514 WCDVIDOFBCEHEO-SFHVURJKSA-N 449.397 1.658 30 10 IDEE COC(=O)C1(c2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)CC1 545470776 QSRIZBJVTBHTDR-UHFFFAOYSA-N 426.498 1.669 30 10 IDEE COC[C@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 560889535 GYKNFUNUOTWBJL-SFHVURJKSA-N 449.467 1.959 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)o1 588156258 QTBLSKLMFCCYTI-UHFFFAOYSA-N 433.489 1.772 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2noc(C(F)F)n2)CCC1 590432060 FWAAFWZIKIUAFS-JTQLQIEISA-N 425.417 1.741 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 730772901 YWJPXJSTDXUITI-IBGZPJMESA-N 431.535 1.923 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)N(C)c3ccccc3)sc(=Cc3ccoc3)c2=O)cn1 732796798 IJSMFTCGZUPDMJ-UHFFFAOYSA-N 445.504 1.874 30 10 IDEE COc1ccc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c(OC)c1OC 742174733 DKIJOCLVLFWPAH-UHFFFAOYSA-N 446.529 1.554 30 10 IDEE C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 742607402 PGVXWLLWISACMF-MHWRWJLKSA-N 435.546 1.182 30 10 IDEE N#C[C@@H](C(=O)CN(CC(=O)N1CCCC1)C[C@H]1CCCO1)c1nc(O)c2ccccc2n1 744424674 UHAJOQABJXYXNP-AEFFLSMTSA-N 437.500 1.615 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(CO)C(=O)O 757298222 ICSQRDIULPWSHI-RDPSFJRHSA-N 436.464 1.869 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(Oc3ccccc3)o2)c(=O)n1CCN1CCOCC1 779850303 JZZLSHQQNVDPCR-UHFFFAOYSA-N 448.504 1.654 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 782532626 YIGVLQKQVCZUKV-HNNXBMFYSA-N 438.525 1.984 30 10 IDEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 785524438 JHZVRRQQEKKMLU-UHFFFAOYSA-N 440.934 1.370 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c1=O 794581840 LSBKESKVTWKMEP-UHFFFAOYSA-N 431.533 1.533 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 804807414 GHBANQMGMVCYTK-FQEVSTJZSA-N 425.558 1.602 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 805131157 FAEBVTLJOTZDOV-HXUWFJFHSA-N 433.574 1.893 30 10 IDEE NCC/N=C(/Nc1ccc2c(c1)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 1088652454 RTEGBXSASWDXJF-UHFFFAOYSA-N 436.516 1.570 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 1139555872 DTTIOYQJBDPCAN-QGZVFWFLSA-N 441.525 1.869 30 10 IDEE O=C(CN1CCS(=O)(=O)[C@@H]2COCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1170997125 GMJTUQJMXKSORK-IAGOWNOFSA-N 430.448 1.061 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286321919 UXZHODDATHDFRK-INIZCTEOSA-N 443.577 1.709 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286385219 LGJKPIUDSNPOIJ-QGZVFWFLSA-N 433.509 1.806 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286395142 QWUKEBCEWVHKSB-LJQANCHMSA-N 445.589 1.456 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1286429069 ZQGDCVJOQQVBNS-UHFFFAOYSA-N 433.965 1.925 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1286455520 FOPIUKWTRJFFCY-AVRDEDQJSA-N 427.480 1.814 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)NCC)c2)CC1 1286476650 BYVGKBXXNDKHDT-UHFFFAOYSA-N 432.532 1.232 30 10 IDEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286543061 GVXMANAAOPPJPN-AWEZNQCLSA-N 437.342 1.066 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1286554084 WULUJSUYNLNVJC-OALUTQOASA-N 444.561 1.783 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1286582333 WSKZZBCCGZGWFA-SFHVURJKSA-N 449.581 1.355 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1286790987 RCSNMKOYTWPMEE-SFHVURJKSA-N 426.521 1.573 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286818872 QYPUMNARZDELNA-UTKZUKDTSA-N 449.577 1.659 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)S(C)(=O)=O 1286984003 ZJJKKVRVGAEFRV-XFQAVAEZSA-N 447.561 1.880 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1ccncc1 1288158731 SMWYNBLASSZUCE-UHFFFAOYSA-N 445.531 1.647 30 10 IDEE Cc1cccc(OCc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)c1 1290062940 QZRHUGIDFDTGDT-UHFFFAOYSA-N 447.499 1.789 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C[C@@H]1C 1296009137 DRVHLJHYJBMZIV-IRXDYDNUSA-N 425.537 1.784 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1296130292 CNUPWQYWYIONSS-IEBWSBKVSA-N 429.594 1.685 30 10 IDEE CCOC1CC(Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1296917703 GXQXWCLIZHULSW-LYGNXSNRSA-N 440.552 1.601 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)COc1cccc(Br)c1C#N 1298091673 CSHTYMBPCOLMDT-LLVKDONJSA-N 428.283 1.701 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1300497415 BDIXCQSCIHOJQZ-FQEVSTJZSA-N 444.532 1.981 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300502689 VXZVQOHYIINFRB-ZWKOTPCHSA-N 449.602 1.830 30 10 IDEE C=C(Cl)Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1301060197 CHYWEWMFZIXULY-MAUKXSAKSA-N 447.989 1.448 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1301350564 ZZJQUYOWEFRUOH-UHFFFAOYSA-N 435.525 1.890 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccncc1 1302092427 IZLTXHMNFLNPHL-YLJYHZDGSA-N 425.537 1.816 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1Cc1ccc(C#N)o1 1305788541 XXJURFFEWAJTIF-HNNXBMFYSA-N 425.493 1.520 30 10 IDEE CCO[C@@]1(c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1314086242 ZGDTVUZATFGRRS-LIRRHRJNSA-N 435.506 1.066 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315893925 ICOOQLOFCXMYCG-YGCDDZCOSA-N 439.520 1.673 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N(C)C 1316186918 SDGMWFGHAUWPHR-AWEZNQCLSA-N 443.508 1.015 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(C)(C)O 1316209473 QVWRTYYMPGXUEP-QGZVFWFLSA-N 428.537 1.971 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 1353197454 AXPJMEXJKOFYFR-HNNXBMFYSA-N 426.452 1.287 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCN(CC)CC1 1358887607 ZTYJVPOFSJRULL-SJORKVTESA-N 427.553 1.490 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1358919576 FRNNHSWFSLJLSZ-AWEZNQCLSA-N 436.504 1.376 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358958322 LOPAQTNVEHJFJF-CRAIPNDOSA-N 431.562 1.956 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358960989 PQATWAAKKORLAR-QGZVFWFLSA-N 431.562 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1359041237 QPAQZXIIOXJBJL-IBGZPJMESA-N 442.589 1.687 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2nc(C)no2)CC1 1359044632 KQLJWUBRNHGQPM-QGZVFWFLSA-N 427.509 1.072 30 10 IDEE C#CCSCCn1c(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1359062039 UMUKUOAHHZMTSF-IEBWSBKVSA-N 432.638 1.931 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1359288655 PMRIRKGIKBBLBI-INIZCTEOSA-N 429.594 1.953 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359302621 NUITWRKQIOJLPR-HDICACEKSA-N 427.553 1.112 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1 1359329548 MJDRZOFGDHSSIC-UHFFFAOYSA-N 444.344 1.789 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359334858 SMMTVYFJUZMXHU-RTBURBONSA-N 447.609 1.413 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(O)cc1 1360240228 DLBGVLKZQDFGAS-UHFFFAOYSA-N 446.515 1.763 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@](C)(O)C(C)C)CCOC1 1360348009 QZCVCKUNKSBNPZ-UEVCKROQSA-N 446.596 1.902 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N2CC[C@@](C)(C#N)C2)c1 1437898975 KFWJDPAFLCVDDP-HNNXBMFYSA-N 447.298 1.917 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4cc(F)ncn4)CC3)C2=O)cc1 1449976768 HWKGGOSIIACWQW-INIZCTEOSA-N 437.435 1.041 30 10 IDEE N#Cc1cn(CC(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c(=O)nc1O 1466967113 HYPGUUMLHGGDAG-AWEZNQCLSA-N 437.225 1.322 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1468452023 FQSPAZBIDZTVJJ-INIZCTEOSA-N 425.413 1.876 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNC(=O)OCc3ccccc3)C2=O)cc1 1471607503 DKODVWCITJEONV-HXUWFJFHSA-N 435.484 1.885 30 10 IDEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1472318942 ZUIOSBLULHBAPO-MUUNZHRXSA-N 444.554 1.550 30 10 IDEE COC(=O)[C@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@@H]1C(=O)OC 1478477600 LLMKPIYZARMLKG-GQGLESIBSA-N 430.461 1.247 30 10 IDEE CCN1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1502327520 PGJPFVSODJSUGG-JVMRMLDLSA-N 429.569 1.924 30 10 IDEE COc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(=O)N(C)C)cc1 1504199810 OTBWJYUSMYKXKS-UHFFFAOYSA-N 446.515 1.635 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1507545000 GVBAPQBPWNHJKJ-IRXDYDNUSA-N 429.496 1.949 30 10 IDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1507568037 QCYDPMXXDLPDBL-IAGOWNOFSA-N 446.552 1.702 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633023 RCYOHRBVZVKELV-IRXDYDNUSA-N 437.566 1.015 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C 1507660565 AUFURKBOILRALF-QGZVFWFLSA-N 441.605 1.960 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=C)Cl)CC1 1507723729 SEPJQRLWBWRIFN-UHFFFAOYSA-N 433.969 1.746 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](c2ccccc2)C1 1508059045 LDYPCCWOKILAKZ-OALUTQOASA-N 447.561 1.765 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2CCOC2)CC1 1508096456 GSWTWXRFZFSIAY-BJLQDIEVSA-N 433.553 1.557 30 10 IDEE COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1518547022 AUTNWTRLHKVYAG-JXFKEZNVSA-N 430.534 1.762 30 10 IDEE C=CCCn1cc(C(=O)NCC(=O)Nc2ccc(I)cc2)nn1 1521273360 AFYAZIDUUKXDAS-UHFFFAOYSA-N 425.230 1.827 30 10 IDEE C#C[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)c1ccc(Br)cc1 1525053975 HUYXIKDOBOPZTF-SZMVWBNQSA-N 445.317 1.962 30 10 IDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1c2ccccc2C[C@H]1C 1525892340 ZVKSDJFDRLAQCU-CVEARBPZSA-N 440.525 1.975 30 10 IDEE COC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1531652298 ZSGAFZPDHVYWFW-LJQANCHMSA-N 427.482 1.932 30 10 IDEE N#C[C@]12CN(C(=O)c3cn(-c4ccc(Br)cc4)nn3)C[C@H]1CS(=O)(=O)C2 1537005376 FKXFNTAXKADMRT-MEDUHNTESA-N 436.291 1.040 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCNS(C)(=O)=O 1539088919 AIHDNCPLSFIORP-UHFFFAOYSA-N 432.550 1.546 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1539223214 ZMVBHNDVTRPAKS-ICSRJNTNSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539231364 RPNVIDARWBGINI-GBESFXJTSA-N 435.594 1.631 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1540902561 MDLXMOBFSYLRLL-UHFFFAOYSA-N 434.566 1.765 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1541997667 JTONCJDOAXRSMD-SJORKVTESA-N 442.545 1.355 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1547193117 IVYNOPIKSWEZFU-KURKYZTESA-N 436.582 1.173 30 10 IDEE CNC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1554477816 HWDPPDMVAFRSNS-UHFFFAOYSA-N 429.912 1.738 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554697583 PYDXAGPFPMFNQK-KAGJPUAJSA-N 430.509 1.661 30 10 IDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1558140261 BMHKRBDCMDBDCV-LBPRGKRZSA-N 445.310 1.704 30 10 IDEE N#Cc1cccc2c1CCN2CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1559927028 FGLGTLMNUCWLMM-UHFFFAOYSA-N 440.525 1.258 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1561866569 MTYLNXXODGYDKQ-RTBURBONSA-N 436.530 1.202 30 10 IDEE C#CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1562052350 OEFNWWQECPMTAD-UHFFFAOYSA-N 436.534 1.077 30 10 IDEE COC(=O)[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1565594690 LQNVCNSHQNVATF-QZTJIDSGSA-N 429.473 1.793 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c1C#N 1567645844 JGRKWTYHYWXMHQ-VQIMIIECSA-N 437.422 1.060 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588045905 TUFUZOVDGOKJPB-KURKYZTESA-N 429.546 1.518 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1588050876 WVRMEWPJRUSEON-GOSISDBHSA-N 425.518 1.254 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1588069901 UVLAGORZEFKZKO-INIZCTEOSA-N 448.520 1.659 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588070059 VPXIAQUZJTWACQ-MOPGFXCFSA-N 444.561 1.112 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1588433204 NASWRYPDCNXIBN-HNNXBMFYSA-N 428.459 1.123 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCC(=O)N(C)C)CC1 1588791501 XADDYSFFKDOYGP-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)OC1(C)C 1593779091 RHTGVNJQOHSBCK-SFHVURJKSA-N 434.317 1.930 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(C#N)c(F)cc3F)cc2)CC1 1595645585 DGGUKAJOMLBRNY-UHFFFAOYSA-N 448.451 1.942 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)C1 1595765785 GSBNAYQFDPSZHT-UHFFFAOYSA-N 441.460 1.084 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccccc3F)C2)nc1 1596976578 AAMPDMMJYTZTEI-MRXNPFEDSA-N 431.493 1.864 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)cc1OC 1611489984 XCXFAUOSMCJHFQ-FQEVSTJZSA-N 437.518 1.246 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613434783 ULRXKPNDSJVWJP-CABCVRRESA-N 439.520 1.622 30 10 IDEE COc1cc(OC)c2c(c1)C(=O)N(C[C@@H](O)COc1ccc(CC#N)cc1)S2(=O)=O 1613771300 KQFCCRSMXVRJGP-CQSZACIVSA-N 432.454 1.354 30 10 IDEE N#Cc1csc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1 1617870341 JKDDBEBXPTVAES-UHFFFAOYSA-N 426.907 1.619 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)C1=O 1631403185 LSZGVFNSBQXVOU-UHFFFAOYSA-N 438.528 1.868 30 10 IDEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1632880427 PUJSCYSCZBMOJI-DQRAZIAOSA-N 425.441 1.685 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 1636475746 VUAIHUSGQILYLB-AWEZNQCLSA-N 444.351 1.137 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCCCc2ccccc21 1636519168 BFIMZGNPNMLSAV-INIZCTEOSA-N 440.525 1.711 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1637073280 BRRBGJGVSSEUHB-UHFFFAOYSA-N 449.556 1.315 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)CC2)c1C#N 1638532395 DTMCQYIXLOWODU-NVXWUHKLSA-N 445.568 1.935 30 10 IDEE C#CCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 1638678570 MURZHYZBBVJNRA-QGZVFWFLSA-N 439.965 1.625 30 10 IDEE C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1639932422 IXFVLPVROJDFEU-KDOFPFPSSA-N 443.529 1.824 30 10 IDEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028582 GNINALDFSPWECM-SFHVURJKSA-N 439.472 1.545 30 10 IDEE N#C[C@]12CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]1CS(=O)(=O)C2 1648500629 SUJANZYNTXIELO-LKFCYVNXSA-N 429.321 1.931 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)c1 1649670074 PDCTYSBNNPJEFN-KRWDZBQOSA-N 448.549 1.087 30 10 IDEE C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653072481 CKQVUNJPKIMYLG-VGTOOOLASA-N 430.313 1.508 30 10 IDEE COc1ccc2c(n1)N(C)CCN2CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1655636784 FSAYBWVOPAILAQ-FQEVSTJZSA-N 438.507 1.895 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](OC)c2ccccc2Cl)CC1 1680273146 NZNYIAARHVFZEB-WMLDXEAASA-N 428.942 1.211 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC4(CCC4)S(=O)(=O)CC3)C2=O)cc1 1681515121 FXXJIJCZFOEDPJ-GOSISDBHSA-N 430.530 1.806 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cc(CO)nn1 1689847321 XFXFZWSKAZDNOA-QGZVFWFLSA-N 431.504 1.763 30 10 IDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1689928899 ZIJBTTJFGPEQFF-GOSISDBHSA-N 441.536 1.990 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689988218 LEEUUGPSEVNAFT-PXNSSMCTSA-N 432.550 1.120 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)CC 1690037186 PBNVMZGRQVPRLY-NDEPHWFRSA-N 432.571 1.580 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1690090166 YBTOVSPGAUWCNV-LJQANCHMSA-N 447.474 1.550 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)c1ccccc1 1690100920 HWXJXRASCUJZIN-UHFFFAOYSA-N 426.502 1.295 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@H]1OC 1690104312 SMFHSVOLBXLUKB-WMQCIHAUSA-N 442.516 1.928 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2occc2C)n1 1690109604 XQBBACODQYCYRK-SFHVURJKSA-N 437.504 1.662 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690119597 LDKQGJJTYKHBBL-SFHVURJKSA-N 443.573 1.534 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](COC)OC)CC1 1690120099 GKCGXTNQWGHTNU-NRFANRHFSA-N 435.532 1.547 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690306705 BZOHQFZVCGZTJR-SFHVURJKSA-N 439.564 1.722 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccon1 1690669047 RZTFVPLLXAETID-UHFFFAOYSA-N 434.460 1.119 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690669329 AUTYMUKBGFPKCT-UHFFFAOYSA-N 426.525 1.281 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690720509 KZSPWZULSRKZLN-JOCHJYFZSA-N 445.589 1.847 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1690722655 QSTIVFHORNNMBR-UHFFFAOYSA-N 444.565 1.397 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1690723930 DRZNIBYJZYJJLW-UHFFFAOYSA-N 435.598 1.528 30 10 IDEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1694208105 BJWUKYSWERNGTF-KRWDZBQOSA-N 425.537 1.785 30 10 IDEE CN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1696650250 UWQSQWUKVQRIFR-QGZVFWFLSA-N 434.522 1.503 30 10 IDEE CO[C@@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1697225800 DRFLBXLOVHCFST-CXAGYDPISA-N 437.298 1.570 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCS(=O)(=O)C2)c1 1705507999 OXANOZPZNDKBOC-KRWDZBQOSA-N 445.545 1.306 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCS(=O)(=O)C1 1705559280 WHWIPSIGHHCXET-HRCADAONSA-N 437.566 1.553 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1705582516 CNSRJOWYTWJXQO-FQEVSTJZSA-N 441.557 1.235 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1705585731 JGNJJWUTWKUUAN-GHVJWSGMSA-N 444.495 1.765 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2CN2CCOCC2)CC1 1705644803 CFXWRXFPTKAKDA-UHFFFAOYSA-N 436.560 1.433 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1705647843 MTJNTLLDSMBGLV-ROUUACIJSA-N 437.548 1.906 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705675368 MCYRHFAZUDJRKY-YADHBBJMSA-N 428.558 1.719 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1705849854 YKQZMAGBOVVNPE-CQSZACIVSA-N 445.611 1.401 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722276694 IUUIHKXZLGMJHG-AOMKIAJQSA-N 449.552 1.682 30 10 IDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)CC1 1722310514 LFRPGKQQHMSLOK-UHFFFAOYSA-N 448.618 1.919 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1722368613 SEKUJYBVOVYMLE-XSLAGTTESA-N 433.578 1.682 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(CCOC)c1 1722399680 RBLARLLYYIXVEV-UHFFFAOYSA-N 442.527 1.871 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1722423632 KSENDDCOFOQRQD-QFIPXVFZSA-N 427.505 1.527 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccnc(SC)c2)CC1 1722450813 RMCWNUNBYBGEBU-UHFFFAOYSA-N 428.562 1.946 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722465392 KZUJTGBOKYTCSZ-QGZVFWFLSA-N 445.570 1.718 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1722640467 NRGUANRIOXOXJP-SFHVURJKSA-N 434.566 1.569 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1722692590 SEYSZALGRJEQQZ-PBNKOMEISA-N 446.577 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722726222 ZEYYWROXGIDRAG-HOTGVXAUSA-N 425.555 1.165 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1723778146 DJOYTLIIIDTBGC-PKOBYXMFSA-N 446.577 1.982 30 10 IDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)c(=O)n1C 1724354910 FANGIBZEPAKYQW-UHFFFAOYSA-N 431.500 1.574 30 10 IDEE CNC(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1729695129 KXUFBAOMDSKKKP-OAHLLOKOSA-N 446.533 1.046 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1740631991 FQSZZUNWNZYWHY-HSZRJFAPSA-N 431.500 1.632 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCN(C(C)C)CC1 1740634370 LQLCEWIFWLDRNT-UHFFFAOYSA-N 435.528 1.982 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1740644269 ZJEWHNFLRJGMEN-UHFFFAOYSA-N 437.500 1.221 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1740749894 GXQDZJNFCROUHD-IRXDYDNUSA-N 432.525 1.384 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 1740753068 FGYOQBGJGJLFAV-APWZRJJASA-N 445.545 1.266 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1740857988 GIANQDRORGDBTJ-MRXNPFEDSA-N 438.598 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(F)(F)F)CC1 1740956650 WTELGNFUGUWMHN-UHFFFAOYSA-N 438.454 1.940 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740961666 HFESEFUUUAPAQG-IBGZPJMESA-N 435.536 1.616 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1740981219 MLKOVYFKOLIAMB-RBUKOAKNSA-N 431.562 1.870 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1741003645 ZIOGJSLFSCVMST-INIZCTEOSA-N 443.639 1.999 30 10 IDEE Cc1c(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)cnn1C 1742068696 CHZZNWHLPVNATM-GOSISDBHSA-N 434.504 1.686 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1748785181 NDAAWGHYLSALJU-UHFFFAOYSA-N 442.545 1.569 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748811416 GPRZNFGLQGCRLR-ROUUACIJSA-N 443.577 1.094 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1748857737 DEUCFRUTKASNAV-IBGZPJMESA-N 435.484 1.146 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1749049346 JQBYVCDIKVXLOX-JOCHJYFZSA-N 441.557 1.980 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C)C1CC1 1749519940 UXCICBYGZKYGLG-SFHVURJKSA-N 449.581 1.430 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1749657694 AZYICKQQFLTMAY-UHFFFAOYSA-N 434.504 1.113 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749669398 KEASLHKLFFAHPR-HOTGVXAUSA-N 434.541 1.530 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccsc2)CC1 1749676391 OTVOJSPWNZFZFY-UHFFFAOYSA-N 437.573 1.950 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1750008052 NFOGEJONIQIEFX-RHSMWYFYSA-N 429.481 1.133 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760136120 CLFIYLRBIZCEBC-WOJBJXKFSA-N 427.597 1.637 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1760176072 YOFZXRXTCKYUDD-ZWKOTPCHSA-N 443.573 1.785 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](F)COC)CC1 1760269941 HOAMEIMDGNZMKH-LJQANCHMSA-N 431.487 1.958 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(COC)n1 1760289878 SSJPKAPJULLSSF-FZKQIMNGSA-N 438.579 1.532 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1760497740 PZRCDSYZDZIHFV-GASCZTMLSA-N 429.529 1.799 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1760518854 KCVVBRCADILZAK-UHFFFAOYSA-N 443.515 1.544 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760525574 KHICGNKKXREHGN-LJQANCHMSA-N 435.536 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1760559249 KYCIDLWPZDPQTP-DLBZAZTESA-N 439.582 1.616 30 10 IDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1765569720 GOYATKPAVBECRR-GOSISDBHSA-N 438.580 1.544 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1766722660 HONFVSADRMUHEQ-GOSISDBHSA-N 432.550 1.761 30 10 IDEE CCOCc1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767977908 KSEMCOPMIHBQAB-HNENSFHCSA-N 430.509 1.348 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1768798260 JNUSUFYLQIXKAX-VERZRFAGSA-N 444.536 1.909 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)c1 1769363551 QHNZENVYFMXLDL-GOSISDBHSA-N 444.561 1.868 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1(=O)=O 1769846612 AHSOORUJCMHWLH-GOSISDBHSA-N 432.550 1.598 30 10 IDEE C=CCN(Cc1cn(Cc2ccccc2)nn1)C(=O)CN1C(C)=CC(C)=NS1(=O)=O 1853601148 XLGYSBVZDOWVES-UHFFFAOYSA-N 428.518 1.766 30 10 IDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)c1 1854487660 LHLALWBPTAVPAO-QGZVFWFLSA-N 433.530 1.989 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C(=O)C23CCCCC3)cc1 1856583693 OGZGQPYLLPLHQJ-IBGZPJMESA-N 429.542 1.867 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)CCOc1ccccc1 1857135885 ABBIVJSXADOLTM-MRXNPFEDSA-N 427.482 1.640 30 10 IDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCC(=O)CC3)cc2)c1 1858662195 YFHHAWBWKXGUCW-UHFFFAOYSA-N 440.481 1.551 30 10 IDEE CN1CCC(=NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)NC1=O 1865880872 XMGARABVDFOBES-UHFFFAOYSA-N 434.408 1.795 30 10 IDEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870945401 YYGBDOJDEKPEBT-UHFFFAOYSA-N 434.518 1.197 30 10 IDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871690868 QPIVZSFGKZOMJP-UHFFFAOYSA-N 427.509 1.203 30 10 IDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N(CCOC)CCOC)ncnc21 1873594645 YLGGZCQTBPOSEL-UHFFFAOYSA-N 427.509 1.412 30 10 IDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC(COc3cc(C#N)ccn3)CC1)CS2 1891934849 YNQVPLGLNBBQCA-KRWDZBQOSA-N 425.514 1.858 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)nn1 2124523024 APAJNCLGHFAUFB-FOLVSLTJSA-N 447.345 1.967 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124537388 XSHQBKZSKUBWQM-ROUUACIJSA-N 446.353 1.972 30 10 IDEE Cc1nn(C)c(C(=O)NCCNC(=O)OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2243424514 SIESCGCTDCJOAP-UHFFFAOYSA-N 442.325 1.684 30 10 IDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2248403566 FFYPONXRWWNQQA-AWEZNQCLSA-N 440.371 1.891 30 10 IDEE Cn1cc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255623112 JIKKSBNTHOJOJL-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256612152 CHCCCOZBBNXEGX-OAHLLOKOSA-N 436.314 1.819 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2266756625 FDXOEOILDSXGMU-UHFFFAOYSA-N 446.357 1.872 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)cn1 2267098695 BXWMCVACSNICKQ-UHFFFAOYSA-N 446.317 1.682 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 2267113772 YUUBAUNVVORYJM-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2267154464 IRISOETZGMSCQE-UHFFFAOYSA-N 440.353 1.004 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2267180908 KVSFKSNTJUSENN-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2267489669 LXGHFAJEFLSKCL-KBMXLJTQSA-N 446.357 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)CC2)n1 2267549105 JXRKJCWEYPVKKP-SFHVURJKSA-N 439.369 1.899 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267581792 WCKZXLZOQWMZME-UHFFFAOYSA-N 445.325 1.190 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267882095 NZOGJIKEXRSKNP-CQSZACIVSA-N 448.329 1.142 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)nc2)OC1(C)C 2268978086 GPPKANSURYPMGX-QGZVFWFLSA-N 441.293 1.566 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](N)C(F)(F)F)cc2Cl)OC1(C)C 2282414445 SQOYEXSSCRLOSO-QMMMGPOBSA-N 434.698 1.869 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC2(CO)CN(C(=O)OC(C)(C)C)C2)[nH]1 2315398229 GTMFKPHKYBXEHD-UHFFFAOYSA-N 433.358 1.752 30 10 IDEE C=CCn1c(=S)sc2c(=O)n(CC(=O)NC[C@@H]3CN(CC(C)C)CCO3)cnc21 12517645 QHSGJSOXAPHXJS-CQSZACIVSA-N 437.591 1.648 30 10 IDEE C=CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCCO3 13795141 PVCLPCDJJVROLR-YSGBTYPNSA-N 437.543 1.901 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccs3)n2)cc1 20834245 DCSONXYPIRYCEJ-CAOOACKPSA-N 437.532 1.690 30 10 IDEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 103936672 YGXMAVAENZGQQP-HSDQKXRGSA-N 449.445 1.650 30 10 IDEE CC(C)(C)OC(=O)NCCN1C[C@H]2CN(C[C@@H](O)COc3ccc(C#N)cc3)C[C@@H](C1)O2 168718366 JRHUUZPSMQIWBQ-NRSPTQNISA-N 446.548 1.208 30 10 IDEE COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254843133 ACJVMERVPWWROC-QRTARXTBSA-N 440.543 1.480 30 10 IDEE CCCN[C@H](C#N)Cn1cnc(I)c1I 379780357 KUQVKOHDOHTODU-SSDOTTSWSA-N 430.031 1.984 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)CC2)c1C#N 436609725 SEHSKCPPZZKWJM-QGZVFWFLSA-N 425.514 1.982 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)ccc1C 446111391 JGMPVXJSKRKGAV-KRWDZBQOSA-N 439.537 1.188 30 10 IDEE COc1cccc(N2C[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC2=O)c1 464948811 AVNWJYGMQDNTHR-HZPDHXFCSA-N 435.488 1.382 30 10 IDEE CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 472466555 AFKHPXNMGMANGI-MRXNPFEDSA-N 436.534 1.694 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(O)(CN2CCOCC2)CC1 501113361 CFCJOGYQCWDAMX-IBGZPJMESA-N 430.549 1.489 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCC(=O)Nc2ccccc2)CC1 503652850 ZOGXQMIDCVFPES-UHFFFAOYSA-N 441.513 1.603 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 514644852 CIWXTUQPYCYSBL-OAHLLOKOSA-N 429.567 1.584 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)o1 532362546 PYDZOEWKQDSDRP-UHFFFAOYSA-N 449.532 1.475 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccnc2)c1=O 533120463 YVRTWGRUPGCVIN-UHFFFAOYSA-N 433.537 1.636 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544641248 ULAFCHQUYUWXGL-UHFFFAOYSA-N 444.513 1.191 30 10 IDEE C[C@@H]1Cc2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc2N1S(C)(=O)=O 546169161 DYGUNLOEERBLNL-OAHLLOKOSA-N 425.514 1.626 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCc4nc[nH]c4C3)nnc12 552536708 RIDOLWYTEDJFAE-ZDUSSCGKSA-N 435.513 1.719 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)CC3)CC1 557086972 GQKSKJNMURJJGO-LEWJYISDSA-N 448.571 1.722 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(CC)CC)CC1 558990721 FICJDZBYMOPVHN-HNNXBMFYSA-N 426.587 1.549 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 563714107 HCSKCCDZUGNJIP-UHFFFAOYSA-N 426.466 1.714 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CC2)c1=O 572348599 BBZYTZGUDHOPDS-UHFFFAOYSA-N 433.331 1.613 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c(F)c1 586860524 IJKDMZIFWIYPMU-UHFFFAOYSA-N 436.487 1.911 30 10 IDEE CN(CCN(CCN1CCCC1)C(=O)c1cc(C#N)cn1C)C(=O)c1cc(C#N)cn1C 588165173 BYZGQITYBJYASO-UHFFFAOYSA-N 435.532 1.417 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 603798261 LPNWGJLJPBQULD-MRXNPFEDSA-N 447.582 1.196 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 618202229 FMCXSNVKTHUVAS-QVKFZJNVSA-N 444.923 1.764 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 669804423 RLJSPEPFUAYNKR-RBUKOAKNSA-N 447.561 1.845 30 10 IDEE C#CCN(C(=O)CN(C)C(=O)c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 729335345 MFRARSJCNCAWPW-NSHDSACASA-N 433.349 1.232 30 10 IDEE C#CCN(CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 731213680 NJPVNCDSYYOYKL-HNNXBMFYSA-N 445.372 1.159 30 10 IDEE COc1ccc(Br)cc1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 731851011 CKDBCQNXGORBOA-PFONDFGASA-N 430.280 1.262 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 732153124 GAZUYPUMNBREPR-ZPHPHTNESA-N 426.454 1.838 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(Cc3ccccc3)c2=O)cn1 732562501 DAXPQOJTYQRJIR-UHFFFAOYSA-N 447.564 1.736 30 10 IDEE C[C@H](CS(C)(=O)=O)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 733201475 KUSNLCMKWKPTIO-GDBMZVCRSA-N 440.591 1.119 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)cn1 735068247 GKKYSTAWACMDTH-UHFFFAOYSA-N 439.585 1.655 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 748395727 PGNRADOQFDXIHK-QHCPKHFHSA-N 434.452 1.998 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1Cc1ccccc1 767956672 VGZJEHHYEWXRBI-UHFFFAOYSA-N 437.521 1.434 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)CCN1C1CC1 778611384 HMVDDXSZWTZBHK-YOEHRIQHSA-N 432.908 1.893 30 10 IDEE COCc1ccccc1S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 779307778 IZDHLRKBKVJNEV-UHFFFAOYSA-N 427.486 1.802 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCC(=O)NC2=O)c1 782563316 NKPYPXRVLYPNCQ-PUAIJGIWSA-N 435.506 1.206 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2CCc3cc(OC)c(OC)cc3C2)n1 790107613 GQFGDXVCIVSMJD-UHFFFAOYSA-N 426.517 1.567 30 10 IDEE O[C@@H](C[C@H]1COCCN1CC#CCN1CCOC[C@H]1C[C@@H](O)c1ccco1)c1ccco1 792872802 PORPAFRCSSOYKI-COPRSSIGSA-N 444.528 1.825 30 10 IDEE COC(=O)[C@@H](Cc1ccc(C)cc1)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 795556359 LVVGMZWPLWZGJJ-DNVCBOLYSA-N 430.482 1.861 30 10 IDEE CC(=NNC(=S)NCC(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 797401904 PCODABQTIBYPRK-UHFFFAOYSA-N 433.275 1.847 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 802600644 XOZPQTODAVZTMT-ILXRZTDVSA-N 442.586 1.814 30 10 IDEE C#CCN(CC)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1CCCO1 812268027 GOHRDENTAPOWQB-NRFANRHFSA-N 436.560 1.875 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 858069288 LEASZMJWPBFNPG-GOSISDBHSA-N 426.498 1.789 30 10 IDEE C[C@H](Sc1nc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cs1)C(N)=O 1126037192 HHMRZVNQQYIFCW-YOEHRIQHSA-N 429.571 1.888 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(N(C)C)ncc1Br 1127138133 CANORRKGFUSMCR-NSHDSACASA-N 431.298 1.318 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCCN4CCSC[C@H]34)C2=O)cc1 1133494124 KOHFGGNNMOOCFM-RCCFBDPRSA-N 427.530 1.459 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 1152967885 UHSJSMPTAMEBBC-VDZJLULYSA-N 447.557 1.124 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)cc1 1162487614 ICIBZXSDNBTCQK-CALCHBBNSA-N 434.420 1.802 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1S(=O)(=O)N1CCSCC1 1165508542 RZRIYDMKHFKNMB-UHFFFAOYSA-N 444.600 1.903 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)nn1 1193475282 BKZXMYYZQLMZHQ-UHFFFAOYSA-N 427.914 1.697 30 10 IDEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(Br)cc1C#N 1264226062 RPXLXRNHLNXTTQ-HNNXBMFYSA-N 442.335 1.015 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1286275804 UUVJDYQIBIUHHK-KBPBESRZSA-N 442.549 1.488 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C1CC1 1286278105 ADXHDYZZZLRYGW-OAHLLOKOSA-N 444.561 1.180 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1286297161 VAHXRLXZFQPPLN-GOEBONIOSA-N 430.513 1.221 30 10 IDEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286359806 KIDWJLHNUZCZFH-SJORKVTESA-N 443.552 1.977 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1286386914 JPPRCJILYRAAHM-IBGZPJMESA-N 445.589 1.458 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286392959 IHRQBRLVHJMWFL-LZNRXBQRSA-N 445.589 1.688 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(OCCO)c(OC)c2)CC1 1286472929 XMWBLJZEIWTJGJ-SFHVURJKSA-N 427.549 1.975 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)[C@H](C)CC)CC1 1286493114 DTKWFDSEKUFWOM-MJGOQNOKSA-N 444.580 1.427 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286791353 RRODUOQWFKSLFD-IBGZPJMESA-N 445.612 1.302 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1286810857 WROCLJVBHOUUSH-ICSRJNTNSA-N 441.532 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286823532 WAEDNAWYDTUGMD-LAUBAEHRSA-N 447.561 1.249 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1286969801 JATOXVMYCLNZRS-GOSISDBHSA-N 437.548 1.881 30 10 IDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)COCCO1 1289053039 TYWIKEULSZDDAB-WIYYLYMNSA-N 445.545 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)c1cccc(O)c1 1300327704 FKQMGGSWHXWDFC-QRFRQXIXSA-N 441.532 1.986 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(CN2CCOCC2)CCCCC1 1300505458 AJKKBBXPXGVAPK-UHFFFAOYSA-N 440.592 1.772 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300505481 BEWHMQJPDBIWOH-LSDHHAIUSA-N 436.563 1.159 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@@H](C)C1 1300532124 OFFOTEWMSVFWKX-SFHVURJKSA-N 438.532 1.580 30 10 IDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300546957 APVOIARPNIJHJH-FHWLQOOXSA-N 443.548 1.912 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1300663899 IUKROSBJFNVFSX-UHFFFAOYSA-N 440.529 1.414 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2cccs2)CC1 1300682309 GGWLFINLCHMFJK-UWJYYQICSA-N 433.578 1.727 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1300695729 HKKFDOFHFJSMRJ-UHFFFAOYSA-N 447.547 1.576 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOCC)CCC2)CC1 1300699777 HROFPBLFBBBPIK-LJQANCHMSA-N 449.621 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)CC)CC1 1300718491 QDQCMLAIXMLJBP-UHFFFAOYSA-N 433.534 1.247 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCc2c[nH]nc2C)CC1 1300731476 GDLQVRGBCAIAGE-LJQANCHMSA-N 425.537 1.760 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOCC1 1300891461 LCANGZNYYLKUSZ-IRLDBZIGSA-N 443.596 1.889 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2cnn(CC)c2)CC1 1301475482 SPGMJAAWHDQXFU-UHFFFAOYSA-N 428.541 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301491149 LRPGSNLBAWQFDO-QGZVFWFLSA-N 425.537 1.631 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1301496626 DQFJYUAERNGELZ-HTAPYJJXSA-N 426.521 1.725 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301609174 FALGDNHAEALASO-ZDUSSCGKSA-N 439.563 1.548 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cnc2ccccc21 1302100024 WOMWHJQKJVPQGY-DLBZAZTESA-N 425.493 1.781 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1302248942 ZOGLQCAJPZEVKQ-IPJJNNNSSA-N 427.505 1.662 30 10 IDEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305593367 WCYLHVQJCLTTIB-OAQYLSRUSA-N 433.509 1.781 30 10 IDEE N#CC1(C[C@@H](O)CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)CCOCC1 1307551319 GKOBUNNNUNJOOA-OAQYLSRUSA-N 426.561 1.655 30 10 IDEE C=CCn1cc(CNC(=O)NCC(=O)Nc2ccc(I)cc2)nn1 1312684286 BXBWQBXUMKIMEF-UHFFFAOYSA-N 440.245 1.507 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1313491288 DNKDJQVNGMBKIM-KRWDZBQOSA-N 442.520 1.996 30 10 IDEE CC[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1314566881 MSBFDSKNGHAAOV-WJOKGBTCSA-N 437.533 1.097 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1314638729 SZFNXHRSBYTEFC-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1316531967 WJFKNWGRZVVQKJ-ZWKOTPCHSA-N 432.475 1.744 30 10 IDEE COc1ccc(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1C#N 1349761739 LDNLPIONWRQUPV-UHFFFAOYSA-N 427.505 1.212 30 10 IDEE N#Cc1sccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1353503246 HTAAMMZFYKGCGM-GFCCVEGCSA-N 425.513 1.337 30 10 IDEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1358928863 MPOHTACWFMATQI-UHFFFAOYSA-N 432.550 1.989 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CC)CC1 1359041552 AMQNWJZFJZCUBZ-GOTSBHOMSA-N 447.580 1.446 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1359057090 RZALURSIJXZWNI-IXDOHACOSA-N 441.623 1.460 30 10 IDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359199675 CYBKVQMMYZVVOF-SFHVURJKSA-N 437.508 1.228 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1COCCO1 1359270388 NFORJELHWYZTID-MRXNPFEDSA-N 432.550 1.832 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1359281401 YJDPKVRCWDZCIQ-GOSISDBHSA-N 426.521 1.618 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1359303827 BXZUDOSPJQOTEO-QZTJIDSGSA-N 430.553 1.346 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC(C)C)CC1 1359455277 LGMYGCOKHXWKNH-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1)N(C)C 1360584743 ZLLKMSQYOVMIHB-GOSISDBHSA-N 447.547 1.795 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1360713045 FBSRPOQELJLZOM-UWIFEVILSA-N 448.524 1.875 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1443821107 OTDICJLIBOBFBM-DLBZAZTESA-N 430.977 1.545 30 10 IDEE 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N#C[C@@]12CN(C(=O)NCCc3cccc(OCC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1478505325 KULMXKISHNCGGU-YOEHRIQHSA-N 431.436 1.750 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1495702140 QUUCUMXYXRJNGI-DCOQFNDQSA-N 431.497 1.206 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1503377461 RIXVWHQFXOUZEH-UHFFFAOYSA-N 444.499 1.540 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1504883503 BDTZTSHAPLPXMC-PGRDOPGGSA-N 446.552 1.609 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1507631629 RFEKZUOVRJIVAE-ZBFHGGJFSA-N 438.504 1.741 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1507632402 KSNPAYOEOCQHEB-IRXDYDNUSA-N 433.578 1.682 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507635245 QNMSCZMXEIEGEN-SFHVURJKSA-N 444.557 1.419 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507635622 XXMAOSKRHADVDV-IBGZPJMESA-N 446.548 1.940 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507708139 FLMBZHQOIDIASX-KRWDZBQOSA-N 438.454 1.689 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1508081341 XGAIMJWXTZYWNB-UHFFFAOYSA-N 436.520 1.569 30 10 IDEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508390586 BMJOHRDYCWOHCV-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C#N)o1 1509684520 PDAFWJBQWYVISO-UHFFFAOYSA-N 445.487 1.523 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1(O)CC1 1510172394 CTQWSJWETFTYMT-OAHLLOKOSA-N 442.545 1.579 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1515392326 BDFXWZIFTSNALU-GHTZIAJQSA-N 447.561 1.618 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1517929186 KODRGGUTHATIRV-HNNXBMFYSA-N 428.518 1.258 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1519048520 FKYZBBDFXSPSOV-MOPGFXCFSA-N 440.504 1.899 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1519593943 NVSKSPLAGRYGRS-UHFFFAOYSA-N 427.490 1.307 30 10 IDEE COCCN(CC1CCN(C)CC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1534651623 PLNSASDARQRDEV-FQEVSTJZSA-N 441.532 1.580 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(I)cc3F)C[C@H]1CS(=O)(=O)C2 1538540270 TXQLBKBHTFAOIQ-XPTSAGLGSA-N 434.230 1.441 30 10 IDEE C#CCCCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539087034 QGJNZLVZPGJJMP-FPOVZHCZSA-N 430.597 1.997 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1539206559 RHYAIHSETNTIGM-IAGOWNOFSA-N 447.948 1.504 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1539295439 AGLYFLYROIXURW-UWJYYQICSA-N 429.546 1.259 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC 1539340777 QYFPAVSRDFGSMG-UHFFFAOYSA-N 437.953 1.756 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539531311 VYZMFDUADLBQLL-QFBILLFUSA-N 442.607 1.310 30 10 IDEE C=C(C)COCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1539758261 FHVZWPXVTITAIU-LPHOPBHVSA-N 428.555 1.146 30 10 IDEE C=CCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1540860944 VHQICYFDXNZBEN-HRAATJIYSA-N 429.525 1.514 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540873229 RNGVUYJOIPFRPD-QGZVFWFLSA-N 444.561 1.060 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1540900261 PTBJKPOESGNJFG-UHFFFAOYSA-N 439.545 1.663 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1540902074 ZTRVTDSLVLKXQZ-MRXNPFEDSA-N 447.565 1.079 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540902548 LWYNLIHPRKUQQH-BZUAXINKSA-N 448.611 1.031 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1540936729 FCZUJBIZHGHFTL-INIZCTEOSA-N 445.474 1.503 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)CCCO1 1541661826 PUUWCMGDWZYFJO-NRFANRHFSA-N 425.493 1.520 30 10 IDEE 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Cc1[nH]nc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1-c1cccc(Br)c1 1566246608 ICUVSQIRRGFMCN-UHFFFAOYSA-N 429.234 1.920 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1587621561 XDORQJGSSFWTBR-INIZCTEOSA-N 427.553 1.490 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1587638334 CZYVOJQFTMVBJV-HKUYNNGSSA-N 445.589 1.627 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1587707242 YJMAXBLXCHYNII-IAGOWNOFSA-N 438.598 1.433 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1587750434 WXHDMBMTVFBLNE-UHFFFAOYSA-N 431.566 1.789 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1587766416 UCQASDRBKSUQCU-AWEZNQCLSA-N 437.488 1.803 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCCC1 1587909556 NMHHFPHWSNLXPQ-IRXDYDNUSA-N 434.566 1.778 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OC)CCCC2)CC1 1588876488 BMROESHNRXRLEF-UHFFFAOYSA-N 442.564 1.439 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSCC#C)CC1 1588890811 GBIUMOTXBAFYJJ-QFIPXVFZSA-N 445.589 1.262 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)NC)CC1 1594218516 ILYNSSYLEABKLC-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1594720645 RUPPLLSQIBEFOR-UHFFFAOYSA-N 442.545 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1595523314 SUWOOEGRPQBMFT-UHFFFAOYSA-N 426.496 1.835 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 1595745645 UUBHVYCFKOENTQ-IBGZPJMESA-N 445.495 1.636 30 10 IDEE CCc1ccc(-c2nnc(N(CCC#N)CCOC)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1613765563 FUBGPHUTZKKIBE-NRFANRHFSA-N 447.561 1.424 30 10 IDEE CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1614795125 DMMJLEFVYFMIDV-RYRKJORJSA-N 426.525 1.789 30 10 IDEE Cn1ccc(N2CCC[C@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)n1 1618726870 CRKKSVQKPMOVQQ-KRWDZBQOSA-N 429.521 1.682 30 10 IDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1619828255 OAFZLFAUFKAMBC-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1620656774 XVYNYHYCACLVQU-QNBXZPKWSA-N 440.566 1.313 30 10 IDEE COc1cc(NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c(F)cc1C#N 1626517621 BQRLUAQMZXWUKD-UHFFFAOYSA-N 436.469 1.414 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1631043135 XGWFCLDDWZSIOH-PVAVHDDUSA-N 434.518 1.616 30 10 IDEE C=CC1(CC(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1631269892 QGSMKCZGIKZRNV-KRWDZBQOSA-N 441.594 1.521 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1638655992 GUWJEMISWUPXCE-AZUAARDMSA-N 436.574 1.864 30 10 IDEE N#Cc1csc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)n1 1645702763 KQJLUETXOLUUNT-UHFFFAOYSA-N 429.321 1.762 30 10 IDEE C[C@@H]1CN(CCCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1649559513 BLBJHSSMQHYKEB-GGPKGHCWSA-N 425.537 1.492 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)CC1 1650845981 DKDLJSNELBSPOT-UHFFFAOYSA-N 441.435 1.117 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)O1 1651405183 MXEAVZGXDFWIBC-SQNIBIBYSA-N 442.472 1.142 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 1653332128 CJHWGHRXCFRVMK-RBUKOAKNSA-N 433.350 1.815 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN[C@@H](CO)[C@H]1CCCOC1)CCCC2 1653886849 CPNZVPZVMBSICC-ZWOKBUDYSA-N 430.549 1.733 30 10 IDEE CN1CC[C@@H](N2CCC(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1=O 1662758883 BKUNTSQOJYJDRX-MRXNPFEDSA-N 430.452 1.550 30 10 IDEE C=C(C)CN1CCC(NC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1678369705 FTNXTNHNXSKNRW-UHFFFAOYSA-N 439.538 1.555 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1689827858 JNPDLBBUGQYTSA-KBPBESRZSA-N 440.570 1.213 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1689965949 HPCAZDCGXJCZOQ-SFHVURJKSA-N 429.546 1.194 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1690037247 RLSWMLGYXQQJFS-VGSWGCGISA-N 442.541 1.351 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690137269 RWMRBQIPTLRINB-INIZCTEOSA-N 435.594 1.366 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1690206468 RVKOEISLFCVHQH-LAUBAEHRSA-N 435.594 1.821 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690621839 BBCNOJKHBCNNNJ-HUUCEWRRSA-N 446.474 1.131 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CC 1690724408 OHLRPSJRQAZRBM-UHFFFAOYSA-N 433.582 1.899 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)C1 1690811899 BKPDVFNYTSJZQW-AEFFLSMTSA-N 429.550 1.621 30 10 IDEE CC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694162517 FSPXEZIJADIHMF-QFPXGYFVSA-N 429.525 1.523 30 10 IDEE CCc1nnc(N2CCN(C3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694746508 PGZVLIGSPSCXMP-QZQOTICOSA-N 427.553 1.822 30 10 IDEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1695661521 BIZJLLXNEMIXDL-APWZRJJASA-N 425.537 1.498 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1698454837 YEULWOULLWCKLY-UGKMNXKKSA-N 425.493 1.424 30 10 IDEE NC(=O)CCC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1698504194 RQQIRRLTOONICP-CZIZESTLSA-N 427.509 1.164 30 10 IDEE C#CCCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1705539071 IMGWRWCHSUBTJL-QFIPXVFZSA-N 428.537 1.962 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705562037 XKJBDZMLPKWIJB-IBGZPJMESA-N 429.546 1.098 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CS(C)(=O)=O)c1 1705617359 RKALSEYWINKTBI-UHFFFAOYSA-N 429.546 1.453 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705641102 QJWZZNBEJNQDAL-IBGZPJMESA-N 445.564 1.731 30 10 IDEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCNS(C)(=O)=O 1705721465 ASUSFSOTXDMPFU-UHFFFAOYSA-N 431.360 1.608 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1705737088 JRKURUSPRQPHIG-IBGZPJMESA-N 447.561 1.898 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705830170 KMSIHHDCJIYXFT-GOSISDBHSA-N 448.568 1.286 30 10 IDEE C=CCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705885806 OCSJKJHUWFUFAZ-RBSFLKMASA-N 425.555 1.714 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705906343 AUDXFMOMOSENGK-LJQANCHMSA-N 440.548 1.820 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(OC)C1 1705927732 DZZCJNYUDGZTJU-LJQANCHMSA-N 425.555 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(C(F)(F)F)CC1 1705934533 OTFWFQWLONRTJF-CYBMUJFWSA-N 433.456 1.529 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705936364 POSIVIOHJDEXFI-MSOLQXFVSA-N 439.582 1.425 30 10 IDEE CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1709915692 JGQKMCKWRVIVCF-ZZEZOPTASA-N 426.477 1.945 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(N(C)C)c2)CCOC1 1710482096 AJJREUYNXFGSOZ-SIKLNZKXSA-N 426.521 1.773 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H]1COCCO1 1712453552 RVZCJROERVNOCH-SFHVURJKSA-N 443.504 1.888 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1722290697 AXEWVGCZMYSYCK-HNNXBMFYSA-N 440.529 1.251 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1722292551 OEEJHKSCMOEPPY-CYBMUJFWSA-N 431.460 1.205 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722394891 JMKOTLNUAZWUSM-FQEVSTJZSA-N 432.933 1.611 30 10 IDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1722414663 FJYFYJBAMJOBSB-OAQYLSRUSA-N 427.530 1.359 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CCOCC2)CC1 1722432200 WPTGQGCYMPMCKO-SFHVURJKSA-N 443.523 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)CC1 1722447855 OACJHWWNUBPTDP-SFHVURJKSA-N 444.580 1.648 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1722490841 DTNMTTVPPKFBBQ-CLWJZODNSA-N 441.598 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1722510701 WTABMMZASIFGFW-KURKYZTESA-N 441.598 1.684 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1723022773 CTNUIWXFMHXMQU-UQWIAKSDSA-N 431.559 1.169 30 10 IDEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1729879822 HZMPEGMXQRCCTH-IAGOWNOFSA-N 439.520 1.825 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740636214 VNOKQZGPYSBOGL-SFHVURJKSA-N 427.516 1.914 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccsc2)CC1 1740698702 LELMDQWGYFMPTP-JOCHJYFZSA-N 439.589 1.864 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740884663 IGXIWASRHBADRA-SFHVURJKSA-N 449.581 1.276 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1)C1CC1 1740911382 ZZDKNTCOLSKXAQ-MJGOQNOKSA-N 437.610 1.692 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1740932094 HBBXGBTVQJHJPG-SJORKVTESA-N 425.555 1.216 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740957081 APKKTWRIRFZEMG-CQSZACIVSA-N 425.459 1.659 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1741876641 DDCFFPKNOHVQRW-LJQANCHMSA-N 440.548 1.924 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@]2(CCOC2)O1 1743243404 ARGLJKLAGDTNGL-MGPUTAFESA-N 431.518 1.246 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(C)CN(C)C2=O)c1 1748692751 NILYHKCBGTZFTL-UZUQRXQVSA-N 436.516 1.317 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1748829678 GTOFZNGHPXHIAX-QHCPKHFHSA-N 439.516 1.852 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1748841922 BRHXLDKFXDIIRW-ROUUACIJSA-N 430.512 1.816 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1749044096 NKHPWXVWTOKAQO-IBGZPJMESA-N 431.610 1.663 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1749048111 IVONKLOKQNJPRH-MRXNPFEDSA-N 425.624 1.946 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1749494364 QNBJPXGJGVKTCV-QGZVFWFLSA-N 446.556 1.970 30 10 IDEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1749525400 NUORHVVLPOKULN-UHFFFAOYSA-N 444.561 1.512 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1749555299 GOEZAUIPORXHSJ-DPPKGPFUSA-N 438.488 1.323 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1749555302 GOEZAUIPORXHSJ-UFVMTTLYSA-N 438.488 1.323 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCOCCS(C)(=O)=O)n1 1751846159 PPSJNTOUNJUIRI-UHFFFAOYSA-N 449.581 1.331 30 10 IDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760136260 SFJJZKLUMLLJPE-UHFFFAOYSA-N 425.537 1.058 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760192003 CLDDCZKGCCUNKM-RRFJBIMHSA-N 430.477 1.181 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1760196431 NNWJLDIRSNRPBH-QHCPKHFHSA-N 428.581 1.029 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)COC1 1760242236 WPNYJLHGNWVHKZ-QGZVFWFLSA-N 432.521 1.996 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)n1 1760253393 YGEDFGLSUVILDM-KRWDZBQOSA-N 435.488 1.778 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1760270729 XSKOZASQMNHGQA-UHFFFAOYSA-N 443.573 1.399 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760360181 UECDYODRQOMTLG-PGRDOPGGSA-N 433.553 1.768 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1760514906 OFIDLTWVJDJPMT-FGZHOGPDSA-N 430.553 1.506 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2c(F)cccc2OC)CC1 1760554651 JEUNFNVPJATIGA-UHFFFAOYSA-N 437.541 1.916 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1761356403 GLERNDWQRSMYNJ-INIZCTEOSA-N 445.549 1.231 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCn2ccnc21 1761473886 VJMFNPWKXDHAGO-RDJZCZTQSA-N 446.581 1.792 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCSC1(C)C 1761481618 AQBJHLCXCRWGJX-AHIWAGSCSA-N 430.575 1.862 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCSC1(C)C 1761481620 AQBJHLCXCRWGJX-GDZNZVCISA-N 430.575 1.862 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1765732477 UVXJPSCDKYVAMW-LJQANCHMSA-N 442.520 1.931 30 10 IDEE CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766691638 KEQOHAGISZCQSW-KRWDZBQOSA-N 434.591 1.542 30 10 IDEE CN(C)CCN1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CC1 1766925818 FTFVKROPURRYHA-UHFFFAOYSA-N 442.612 1.528 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)O 1771214783 WRLBDUURXROFKT-INIZCTEOSA-N 429.525 1.366 30 10 IDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1771353027 UYXRHFQCGFIPQP-AWEZNQCLSA-N 436.925 1.547 30 10 IDEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CC1 1771533824 AGWIPNRUJSTTED-UHFFFAOYSA-N 435.941 1.769 30 10 IDEE C=CCN1C[C@@H](C(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(C)cc32)CC1=O 1851051394 FNUIITIBOVVART-HNNXBMFYSA-N 444.513 1.086 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCCO3)C2)CC1 1855451729 JBFHRDRKYUOUFP-QZTJIDSGSA-N 431.514 1.513 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@@H](N(C)CCC#N)C3=O)C2)cc1 1856496778 OFFQCXLKPCZILV-PKOBYXMFSA-N 432.546 1.369 30 10 IDEE CCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)CN1C(=O)c2ccccc2C1=O 1861523005 MPVBFHRODVRHJE-LPHOPBHVSA-N 429.517 1.721 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862564008 QBFMRTLRWVZZNF-GOSISDBHSA-N 440.412 1.597 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871679238 GDTLHRVKPSGGKT-UHFFFAOYSA-N 434.928 1.720 30 10 IDEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(N3CCN(C)CC3)ncnc21 1873595082 OEAAKBPBWIHMKS-UHFFFAOYSA-N 425.581 1.975 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)CC1 1889612374 WPBNFJWJTOLSOY-UHFFFAOYSA-N 437.581 1.945 30 10 IDEE CC#CCN(CC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900617876 GIXVKTFAYPTQBG-NRFANRHFSA-N 425.526 1.735 30 10 IDEE CC[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2243665029 PESXTCVIQUHXHM-NSHDSACASA-N 426.348 1.891 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247912695 KXVHRFGYGJEPTR-MNOVXSKESA-N 440.737 1.768 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2255656150 WVBUWJOEJLBVNX-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC(NC(=O)OC(C)(C)C)C1 2255695680 JBEURIDPHHXDFX-UHFFFAOYSA-N 432.330 1.904 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CC(NC(=O)OC(C)(C)C)C1 2255696580 VYRMOHMFPJNVMI-UHFFFAOYSA-N 435.334 1.242 30 10 IDEE Cc1c(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834422 NIMIQJHOXYLBIK-CYBMUJFWSA-N 436.362 1.918 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)CC1 2255857101 FJVMIZKHSSKQJT-KRWDZBQOSA-N 433.358 1.775 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256600450 JJKBTYWMFVBLLC-GFCCVEGCSA-N 434.302 1.088 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256623826 HFSXCTZORMZQEZ-AWEZNQCLSA-N 439.293 1.998 30 10 IDEE Cc1c(C(=O)N(C)C[C@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267135089 YNJHSLVDSRPRSP-SFHVURJKSA-N 443.353 1.677 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2267600822 MOOGLHWTHQWSJX-CWRNSKLLSA-N 444.341 1.904 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2269717656 OIAYCCSSZFCHRP-INIZCTEOSA-N 449.357 1.647 30 10 IDEE Cn1nc(C(=O)NC2CCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041015 QTJHIWRWKHMXOK-UHFFFAOYSA-N 425.722 1.788 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2312855074 UCFQPDRQBLDEMW-YDHLFZDLSA-N 432.330 1.694 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1S[C@@H]1N=C2[C@H](N1)C(=O)N(C)C(=O)N2C 20220059 ULNSBGAHVYGIEF-YOEHRIQHSA-N 427.490 1.313 30 10 IDEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CCOC)c3)n2)s1 59886929 LERXKLRGYAUXJJ-OMCISZLKSA-N 436.527 1.238 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 254800830 LXMDAINMXWRSPQ-DOMZBBRYSA-N 440.499 1.267 30 10 IDEE COc1cccc(CN2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254873566 COWITFFQWCTXCF-LSDHHAIUSA-N 426.516 1.547 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 436244089 JLUNNEWODFWMSO-NXHRZFHOSA-N 432.546 1.522 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 460587688 VSQVZFAKBHIBIF-DLBZAZTESA-N 431.566 1.652 30 10 IDEE C[C@H](C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)n1cnc(C#N)n1 466988232 IOCMCCFJXJAJIX-CYBMUJFWSA-N 426.868 1.759 30 10 IDEE CC(C)OC(=O)CC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 472466544 AFKHPXNMGMANGI-INIZCTEOSA-N 436.534 1.694 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 478737653 MCESFZITNJYUQM-HNNXBMFYSA-N 427.526 1.531 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 486019214 VMEYUXOTSHFBGK-LBPRGKRZSA-N 428.513 1.577 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)CC1 503963175 MSEXDRHADOVCNX-GHTZIAJQSA-N 426.561 1.432 30 10 IDEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 514835902 VXDFYJVRTDQPRF-SFHVURJKSA-N 446.532 1.934 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3ccc(C)s3)cc2C1=O 533405771 RLPXROYZCWFMNI-UHFFFAOYSA-N 433.511 1.547 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2cn(-c3ccccc3)nn2)C(=O)O)ccc1Cl 548225206 UDVCLHJBTHEXDZ-QGZVFWFLSA-N 431.861 1.767 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCCO2)c1=O 552010250 QAJDRKHRCGRSAB-INIZCTEOSA-N 426.542 1.393 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(F)c1 585698271 AGRATKZRTZJBKD-UHFFFAOYSA-N 437.475 1.533 30 10 IDEE CN1CCC(N2CCC(CCN(C)C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 586864318 RFMIFNNYWULJSL-UHFFFAOYSA-N 443.567 1.968 30 10 IDEE N#Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(F)c1 609230819 ARIJZAOGIOYZJD-UHFFFAOYSA-N 433.461 1.843 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)C1=O 656413949 JVQXMXQWVYBBJY-ZRNYENFQSA-N 436.512 1.332 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669804362 XNIGYBIVPYRMQP-PXNSSMCTSA-N 445.612 1.761 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCN)cc1 703979487 PFJFJJQJIKSIJU-MRXNPFEDSA-N 425.510 1.664 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(OCC#N)cc1 727678802 GLMDFLSKYDWBDB-UHFFFAOYSA-N 429.498 1.848 30 10 IDEE C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465453 FMBVDYLZZOZIGO-ATQAJOFPSA-N 433.459 1.879 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCN1C1CC1 732706000 BALIOHPFZUMAOU-JTQLQIEISA-N 435.412 1.755 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C(C)C)cc3)c2=O)cn1 735069645 YSMMJELZHUERDN-UHFFFAOYSA-N 435.553 1.878 30 10 IDEE CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737305102 FAXIQJWDFOZMPP-NXVVXOECSA-N 440.378 1.685 30 10 IDEE CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2C1 737305242 FZNOTRWHWRNPLB-MSVBSMQLSA-N 439.516 1.628 30 10 IDEE C#CCN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 744397213 DODWRRYRWXSSSD-QGZVFWFLSA-N 443.525 1.295 30 10 IDEE COc1ccc(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 746964160 YJZLLRWNZWRUBM-UHFFFAOYSA-N 446.481 1.953 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)cc3C)C2=O)cc1 748414468 NLAIJJRJCVQCGE-QFIPXVFZSA-N 436.424 1.531 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 749863023 VJHUWAKXNBEKGU-HZPDHXFCSA-N 436.537 1.712 30 10 IDEE C[C@@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752157288 KROROSAUEUVGEU-CQSZACIVSA-N 435.527 1.558 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3c(CC)nn(C)c3CC)cc2C1=O 754635282 OUGUJOUHWKCPKZ-UHFFFAOYSA-N 430.486 1.446 30 10 IDEE O=C(NCC#CC(=O)N1CCO[C@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757472662 ZESKIZLTZFTLQJ-NRFANRHFSA-N 434.448 1.841 30 10 IDEE C[C@](C#N)(NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)C1CC1 768665809 QMGZVQWWVFKFHH-CQSZACIVSA-N 442.316 1.878 30 10 IDEE C#CCN(C(=O)NCC(=O)Nc1ccc(Br)cc1C)[C@H]1CCS(=O)(=O)C1 774145991 LEJAACUPLWFCQN-AWEZNQCLSA-N 442.335 1.528 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCCC1 779320222 SVVUWYLKNIJUEC-QGZVFWFLSA-N 437.518 1.848 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 790104451 OFVRXTFUEZIWAV-UHFFFAOYSA-N 444.557 1.592 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCSC2)cn1 790284674 FESKMZZCRBGXID-ZBFHGGJFSA-N 438.623 1.656 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 793407600 AFLUWHVYUOCSDU-UHFFFAOYSA-N 435.569 1.573 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)N1CCCCC1=O 793924887 NRLMOJMCAATJQX-RDJZCZTQSA-N 434.562 1.657 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN([C@@H]3CCOC3)C2)c1 1141878180 PFQBBDLOIKABPM-HBWVRPOVSA-N 434.562 1.939 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N(CCC#N)CCN2CCOCC2)C1 1142585684 CGEYPPXFOGBDOZ-NRFANRHFSA-N 440.516 1.036 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)nc1 1143527877 ABZKPBJXNFTVQS-AZUAARDMSA-N 434.418 1.849 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2ccncc2)c1 1150295099 NCFWZUXYMBNKMP-MOPGFXCFSA-N 430.482 1.274 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1156254496 PDCPPNJXWZKQCX-CVEARBPZSA-N 431.493 1.813 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1161394112 WMDROWUTJZPYNB-MRXNPFEDSA-N 442.947 1.901 30 10 IDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1175390862 UFLJJULDLNJJFZ-XLIONFOSSA-N 436.553 1.656 30 10 IDEE Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1221719036 HALLULRMVVFHHC-CQSZACIVSA-N 430.896 1.608 30 10 IDEE N#CC1(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCOCC1 1225037948 GUDDUSHZEWPFJU-QGZVFWFLSA-N 436.534 1.263 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1286284659 GACQMZDRKXIUGJ-HNNXBMFYSA-N 427.530 1.824 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc2c1OCCCO2)[C@@H]1CCS(=O)(=O)C1 1286394436 OOKIZAQIVYUSAU-QGZVFWFLSA-N 430.530 1.677 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CC=CCC2)CC1 1286484840 YCIIANTZNDIIHG-UHFFFAOYSA-N 436.560 1.883 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2([S@@](C)=O)CC2)CC1 1286487924 RUFSJCDALZUNHU-SSEXGKCCSA-N 429.546 1.723 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286567330 UWKXJTWLDMXNLJ-ICSRJNTNSA-N 446.577 1.327 30 10 IDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286721862 KETWZPLVLFKDGF-FQEVSTJZSA-N 428.518 1.303 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCO[C@@H](C)C2)C1 1286808532 LVAHQFYKBIXMRR-OTWHNJEPSA-N 432.569 1.511 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)C1 1286818552 YAYGZDHHTAUXCH-AWEZNQCLSA-N 437.497 1.094 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)s1 1293351678 RNPGTWKYPGJSQE-GOSISDBHSA-N 444.582 1.991 30 10 IDEE C#CCSCCNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1293737337 IVUVGULUSAZINX-FQEVSTJZSA-N 428.551 1.817 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1293867637 BMICSWUAMBXVPS-NJNPRVFISA-N 448.568 1.600 30 10 IDEE CCCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1294694960 WSYFWFVCJGAHRQ-VQTJNVASSA-N 442.612 1.857 30 10 IDEE CCCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CC(=O)N(C)C1=O 1296901617 OPGJNQPBEKGUOF-OJLPUSQMSA-N 432.521 1.769 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1299552862 MJRJXBCOPRYJCL-RDTXWAMCSA-N 437.504 1.618 30 10 IDEE CO[C@H](CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1299612196 POYWHJANZVMKDQ-NUEKZKHPSA-N 428.459 1.926 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1300430965 QYVLIKJVFLSXKA-UWJYYQICSA-N 432.546 1.654 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(N2CCOCC2)CC1 1300438679 RVSFVJUIRCCHHP-UHFFFAOYSA-N 433.354 1.980 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC 1300579887 ZFYVGXPCHYWCJC-UHFFFAOYSA-N 431.500 1.274 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)CC1 1300700919 YPSQOSJCPSRNRC-QGZVFWFLSA-N 447.536 1.154 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2CCCCO2)CC1 1300723072 PJVWORZZKSJAQK-ROUUACIJSA-N 428.537 1.154 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)OC(C)(C)C)CC1 1301106447 UWJHSFDWEJVABK-AWEZNQCLSA-N 442.586 1.815 30 10 IDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1301206067 WMCCAMKIPFAYQW-UHFFFAOYSA-N 433.530 1.989 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1301478059 GZOPCRPLKPQBRF-MRXNPFEDSA-N 439.520 1.116 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301482583 XKBHFFGQOAJTAJ-MSOLQXFVSA-N 431.562 1.746 30 10 IDEE COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301661071 RGTQPSFBGAXWPD-ICSRJNTNSA-N 441.536 1.632 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1302193090 GTBQIRFUQUWPFN-MRXNPFEDSA-N 428.493 1.516 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOCc1ccccc1 1302311660 OKJQOSIMOSXEMU-ZCNNSNEGSA-N 427.505 1.948 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCN(C)C1 1303419381 KBDCYTUTTZWCEO-SELNLUPBSA-N 437.548 1.226 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCS1 1305204504 ACPBUYUFHPJUHS-MRXNPFEDSA-N 442.545 1.529 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1305629537 UHVXZWNJFZOLLP-QMHKHESXSA-N 435.532 1.838 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2Cc3cccc(C#N)c3C2)cc1 1306868550 GNHVNXOJPSFBEI-UHFFFAOYSA-N 440.525 1.861 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1314517492 OEAXHGZGNPRBDC-HNNXBMFYSA-N 433.534 1.513 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1316262508 BCUZRCQGIHOHJD-LJQANCHMSA-N 438.532 1.975 30 10 IDEE COc1ccc(-c2nnc(SCC(=O)NCCN/C(O)=C3\N=CC=CC3=O)o2)cc1 1318663259 DRRNIJAZASRARR-WUKNDPDISA-N 429.458 1.480 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 1358912947 BMDAVSARKZTAPC-ZACQAIPSSA-N 441.623 1.745 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCS(=O)(=O)c1ccccc1 1359021816 BUSBYVWTLZLOJS-UHFFFAOYSA-N 425.514 1.900 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(O)c2)CC1 1359030843 IFBLJHWQRWAAMK-QHCPKHFHSA-N 441.532 1.448 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[S@](=O)C(C)(C)C)CC1 1359042958 AQFIRNUVRWEXFO-HKBQPEDESA-N 442.589 1.853 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359097878 VCTUWTHPMZSDAC-FUHWJXTLSA-N 449.581 1.132 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359130846 XVQZETCDCMAUEG-UHFFFAOYSA-N 434.566 1.841 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359283544 ZMLVSXLLQQTIGX-CRAIPNDOSA-N 435.550 1.878 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2)C1 1359331683 GCWPBUABWTUPNN-MSOLQXFVSA-N 429.546 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C 1359335205 DDNWHWWUYUWCIE-UHFFFAOYSA-N 439.626 1.725 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359336001 AWYDAVPIQGERQF-UHFFFAOYSA-N 440.577 1.929 30 10 IDEE CC1=C(C)C(=O)N(CCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 1441629751 JFEAUNYQEPWQGZ-XLNRJJMWSA-N 432.502 1.533 30 10 IDEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1454015845 XHYMTJDVOCDTSS-UHFFFAOYSA-N 441.981 1.778 30 10 IDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1470593615 PMUBXOCSHYVMMF-ZDUSSCGKSA-N 445.501 1.031 30 10 IDEE N#Cc1cn(CCNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c(=O)nc1O 1477806591 DKEXXIRLNHHRSE-UHFFFAOYSA-N 444.923 1.685 30 10 IDEE CN1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)NCC#CCO)CC1 1479162656 ZGDSOEXYQDZJFX-UHFFFAOYSA-N 441.345 1.343 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1479545870 YZZXRDDQPSTZPY-KRWDZBQOSA-N 434.493 1.491 30 10 IDEE CN(C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503402479 GYOPZLQPJDZPEM-NRFANRHFSA-N 441.555 1.763 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1503729546 WWYFXLNBXOCJQU-QFIPXVFZSA-N 425.537 1.357 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1cnnn1C 1505006136 GJFFTDXQCXRPDK-POAQFYNOSA-N 436.520 1.922 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1507715696 HHJFIHFYCGZVEE-FQEVSTJZSA-N 449.603 1.618 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCc2c[nH]nc2C)CC1 1507739497 INHGPLOPJHSORE-UHFFFAOYSA-N 446.559 1.894 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1507790607 BDCUJQUIHRJCTF-HKUYNNGSSA-N 440.552 1.514 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCOC1 1508035815 FSNRQNXLQLPVDM-QFIPXVFZSA-N 429.521 1.937 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508083016 YYJNBUHSEJCOEO-GOSISDBHSA-N 438.536 1.305 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1508099476 YVVROPGAUXRQAW-UHFFFAOYSA-N 426.587 1.128 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCn2nc(C)nc2C1 1508142911 CFGQZIKFCJDODX-UHFFFAOYSA-N 433.563 1.451 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCC[C@H]1C 1510155421 HXAQAZOHIQQATF-IAGOWNOFSA-N 445.593 1.881 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1(O)CC1 1510172391 CTQWSJWETFTYMT-HNNXBMFYSA-N 442.545 1.579 30 10 IDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1512677205 ONDLOEYXQJHJFF-GWJPWWOOSA-N 438.532 1.947 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517674379 VFKMTZXBURWRHZ-MGPWXQLLSA-N 430.509 1.392 30 10 IDEE Cn1nc2c(c1C(=O)NC1CCC(Oc3ccc(C#N)cn3)CC1)CS(=O)(=O)CC2 1518906755 MJUBYBLKNPXRET-UHFFFAOYSA-N 429.502 1.278 30 10 IDEE COCCN(C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1519121120 ASJINHOSMIHCIL-FQEVSTJZSA-N 428.537 1.781 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1=O 1519205599 DTULOADSTPHBBZ-QUCCMNQESA-N 438.532 1.663 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)CC3(C#N)CCOCC3)cc2)CC1 1521748386 UOCMVYRHAWUAOK-UHFFFAOYSA-N 435.502 1.020 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539212089 QZFQGUHFDBBNEL-HXUWFJFHSA-N 438.557 1.938 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1C1OCCO1)[C@@H]1CCS(=O)(=O)C1 1539221293 ZEJAAJJCFDMGTJ-QGZVFWFLSA-N 430.530 1.561 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)N2CCOCC2)CC1 1539482635 VXFRPDVFRHXONE-SFHVURJKSA-N 430.597 1.553 30 10 IDEE N#Cc1cn(CC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(=O)nc1O 1540344074 HINUJVIRCVBMSW-UHFFFAOYSA-N 444.491 1.995 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1540862852 KSPHTIDWBZGBLJ-OALUTQOASA-N 445.612 1.330 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540875623 RVHGQLJZYPSRGD-KRWDZBQOSA-N 444.511 1.603 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC)C2)C1 1540883691 CVWLNFGGPUAHGT-YESZJQIVSA-N 426.587 1.011 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1541053873 HNZBDESHDYKFCZ-SFHVURJKSA-N 433.520 1.839 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1541054739 ZXLDWOWVLPUYBH-SESVDKBCSA-N 438.532 1.709 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1CCN/C(O)=C1/N=CC=CC1=O 1541634940 SISOVGSTBZZIGC-STGLLQLASA-N 441.492 1.733 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CSCCSC3)CC2)cc1 1543121241 HEFVEOMKOIAOHS-UHFFFAOYSA-N 440.616 1.478 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1555784322 AUYPRPHADYUPBE-SFHVURJKSA-N 433.472 1.496 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1564601408 LTLMWQBHZIGDIJ-MTNXOHHFSA-N 443.548 1.558 30 10 IDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1565723351 YYOGUPFHKVUXRE-HNNXBMFYSA-N 441.351 1.297 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)CC1 1570205579 SRYLYMQOVRHFSW-IAGOWNOFSA-N 426.535 1.051 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCc1cc(S(N)(=O)=O)ccc1F 1583640246 XUXCDMRMNLJORD-UHFFFAOYSA-N 426.267 1.966 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 1584505805 ZUDQUELBRRDJMW-DOOHWEDMSA-N 448.545 1.741 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588040940 SMILVQLOMITKDL-INIZCTEOSA-N 433.534 1.390 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1588054978 QVQKOAIVTRQJAU-IRXDYDNUSA-N 448.549 1.471 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588065004 RBEWAYDFLWQJLM-SFHVURJKSA-N 435.619 1.897 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1588238272 OWEJFMNQJWBCHE-UHFFFAOYSA-N 435.500 1.501 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1588259337 ZRPRGXYUWDRYBT-HDICACEKSA-N 440.548 1.814 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2ccn(C)n2)CC1 1588871968 TZOKNPOIIWUOOP-UHFFFAOYSA-N 435.532 1.597 30 10 IDEE COC(=O)[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(C(F)(F)F)c1 1594654342 ZHOYMVDVSWXNMK-MWWIPNPYSA-N 425.363 1.952 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595544784 LFOWKRAFZQWDTR-INIZCTEOSA-N 434.541 1.879 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595784064 BDFCBJYHOIKFDG-INIZCTEOSA-N 427.534 1.668 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595871150 IDAVVYHKBHPCIC-SQNIBIBYSA-N 434.610 1.695 30 10 IDEE CC(C)Cc1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1603977915 SWJSPBQEMVSMCY-QZQOTICOSA-N 427.553 1.678 30 10 IDEE CC(C)COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1607714278 HIYAUHJXIBZAIT-IBGZPJMESA-N 429.569 1.753 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)c1 1612247916 FMFZVCBFRHDWIH-LJQANCHMSA-N 436.472 1.804 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C#N)cc2I)C1=O 1616827226 UZFJIAHSRUPSHA-UHFFFAOYSA-N 438.181 1.078 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3ccn(CCC#N)n3)CS(=O)(=O)[C@H]2C1 1618206375 XSNSVGJUISCMIX-ZNMIVQPWSA-N 437.522 1.405 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(C)(C)O 1619995723 UHDNQAPCZNOBBD-CQSZACIVSA-N 430.509 1.698 30 10 IDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(C(=O)CC#N)CC2)C1 1622396140 UGEPPRFDKLSKPD-AVRDEDQJSA-N 428.489 1.387 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 1624598521 IXFAJDWEUSOFMN-MRXNPFEDSA-N 429.473 1.901 30 10 IDEE N#Cc1c(CCCNC(=O)c2ccc3c(c2)C(=O)NCCO3)nn(-c2ccccc2)c1N 1625337189 ZKQGWPCNBIITEU-UHFFFAOYSA-N 430.468 1.811 30 10 IDEE N#Cc1c(NC(=O)CN2C(=O)COc3cc(Br)ccc32)nc2n1CCOC2 1627628018 HZVKBQWVHZHOHG-UHFFFAOYSA-N 432.234 1.412 30 10 IDEE COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)CC#N)CC2)c1 1630034742 UFOSGIGHUHNOKZ-SFHVURJKSA-N 430.505 1.715 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1631482718 HGILWAWETFKASB-QBPKDAKJSA-N 428.551 1.460 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccnc(C#N)c1 1634631034 JBLURAWDRHJJPB-UHFFFAOYSA-N 443.529 1.218 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 1634860522 QEBCXWDWVQWHEB-AOMKIAJQSA-N 444.488 1.800 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 1643920034 VKHQGVLFBRDPKB-RTBURBONSA-N 444.582 1.716 30 10 IDEE C=CCn1c(=S)sc2c(=O)n(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)cnc21 1652545870 YTKZSDYMZCECAJ-UHFFFAOYSA-N 449.480 1.654 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)c1 1654230308 NCLZCFKMACLGII-LJQANCHMSA-N 436.468 1.283 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(-c3cccc(Cl)c3)ns2)CC1 1660590875 TUWRTZFJJUIXLE-UHFFFAOYSA-N 440.938 1.476 30 10 IDEE C#CCC1(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCOCC1 1666003868 AWWXXYCJWLVJSE-UHFFFAOYSA-N 435.546 1.220 30 10 IDEE CN(C)S(=O)(=O)CCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1682841377 UPYXRWFCTVMJHE-HTQZYQBOSA-N 447.348 1.690 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCCNC2=O)cc1 1683048202 GGBRRXRTXZZYRA-MRXNPFEDSA-N 434.504 1.688 30 10 IDEE CS(=O)(=O)CCCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1683483102 NXUWWLYLUKRWBH-UHFFFAOYSA-N 430.534 1.605 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1685113491 JWONSFRLBCAYFM-UHFFFAOYSA-N 435.484 1.106 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C1CC1 1689949089 PVJMWSXTWIFVLZ-UHFFFAOYSA-N 429.550 1.142 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1690046498 CHFXVCQNOMZMLJ-SFHVURJKSA-N 433.578 1.292 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1690206723 YAWNXYANDLRQAH-FOIQADDNSA-N 431.518 1.082 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC 1690210927 NLMGZOUSYJZWJQ-LJQANCHMSA-N 435.575 1.696 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCSCC1 1690659439 SMVZYBHLBXSYAV-UHFFFAOYSA-N 434.953 1.717 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)C(C)(C)C)C1 1690684715 MFCVCZUIUKHPLL-HNNXBMFYSA-N 427.571 1.411 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690722184 ALTCJVBIDZSLKL-INIZCTEOSA-N 434.566 1.759 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1692786132 ZWDYPTAFWFNKQH-OLZOCXBDSA-N 432.497 1.443 30 10 IDEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1696403042 JAOYWCPBXOFQIV-UHFFFAOYSA-N 433.534 1.780 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)C1[C@@H]2CCC[C@@H]12 1696647737 WRKFQTGGRKSWAL-QZTJIDSGSA-N 444.561 1.903 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698302774 RKOBDGXCPVDSMQ-ZWKOTPCHSA-N 431.518 1.451 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cc(CO)nn1 1705479810 LXNXDQASOQPIBU-ZDUSSCGKSA-N 447.341 1.678 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705568437 NNPUYHMJMHIMKH-KZNAEPCWSA-N 433.578 1.463 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705663657 BFUKFFFYQWTYHL-KDURUIRLSA-N 427.530 1.945 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1705946640 NEADFJRDSOOVQQ-QGZVFWFLSA-N 425.624 1.631 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710746440 XDQXBEFVRKRCEZ-ZGTROFRASA-N 444.414 1.109 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1710826336 WOMUJTPSERDQOT-SFHVURJKSA-N 446.577 1.961 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@]2(O)CCOC2)c1 1722306916 HEKBMBAASVFZTN-XMMPIXPASA-N 446.511 1.472 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722338222 GGFDZJJESWLXMW-NRFANRHFSA-N 436.560 1.670 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722364886 ARLRGVOVFYFRKT-LJQANCHMSA-N 441.557 1.441 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722365498 FBFOMZCXDUDGRZ-BZUAXINKSA-N 444.504 1.223 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)CC1 1722583630 SJALZXJOJIUJIX-GOSISDBHSA-N 431.562 1.813 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722691823 ULZWTOKYYPZVMW-HOCLYGCPSA-N 425.493 1.231 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCC2)C1 1722702295 MXTMAYQBHDRNHB-UHFFFAOYSA-N 430.534 1.331 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cc1 1724247514 BMPXXKSKFAYMFW-JKSUJKDBSA-N 447.565 1.223 30 10 IDEE CC[C@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1727745164 PMAKCFOYWABHFM-WMLDXEAASA-N 434.522 1.503 30 10 IDEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc(OC)c1OC 1729993576 YMLBZMJISSFSOQ-IAGOWNOFSA-N 443.504 1.975 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCS(=O)(=O)C1 1730933868 WGZUAQFHNDGBNK-QZWWFDLISA-N 425.555 1.423 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(=O)(=O)CC 1740536484 HRDSGLIDVUVZGZ-HNNXBMFYSA-N 427.534 1.732 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1740553671 TVXGFFNPPZBUMT-HRCADAONSA-N 441.623 1.601 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1740618927 LOCCVKNDELEIPS-HKUYNNGSSA-N 448.545 1.242 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1740692030 QSNJFABUROCKMA-UHFFFAOYSA-N 446.603 1.598 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1740720129 PMNQPRSSEUFMHS-UHFFFAOYSA-N 432.594 1.462 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC2)CC1 1740839891 QDBZSGOATYFLEG-SFHVURJKSA-N 438.598 1.109 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1741006187 ZXSWIRSFJQIHQW-HUUCEWRRSA-N 446.602 1.904 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(C)(=O)=O)C1 1741983794 MHVWGYOQLWGIEJ-IBGZPJMESA-N 438.504 1.826 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@@H]1C 1747425390 GISIMCWUFBQORG-INIZCTEOSA-N 432.550 1.713 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1748773747 DMUVOYGHHHUZKY-UHFFFAOYSA-N 435.326 1.364 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1748860049 VHYRSEKNTRUOKA-ROUUACIJSA-N 447.536 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CSCCS2)CC1 1749009425 IOVCQOXXGFYXMG-ROUUACIJSA-N 449.646 1.987 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749019605 AKBNIEGGJGHOBM-SFHVURJKSA-N 442.593 1.930 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1749064632 DLTBVWVSMBRTNB-UZUQRXQVSA-N 439.516 1.649 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749457375 QDGOFGVAWVLQHL-KBPBESRZSA-N 444.458 1.327 30 10 IDEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(C)(=O)=O)C1CC1 1749516106 PWWWHJOGDNFEJT-UHFFFAOYSA-N 438.579 1.438 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1749613252 IADUIWPZFCPOSZ-JOCHJYFZSA-N 429.521 1.725 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1749646586 SJBMAKPARNHADP-AWEZNQCLSA-N 428.559 1.522 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)N2CCOCC2)C1 1749692905 CSNHWSMLLKRUCJ-RTBURBONSA-N 434.585 1.554 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1749933390 NGHFBRHXNRYFPC-LJQANCHMSA-N 447.499 1.831 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCNC(=O)c2cccs2)c1 1750381031 GTVAMVHEDMXLAA-INIZCTEOSA-N 435.513 1.620 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1750387064 RZNUNPDHBDCORO-UHFFFAOYSA-N 435.575 1.610 30 10 IDEE C#CCCCCn1c(N(CC#C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760142379 AUOIIZSSQBZBRO-WIYYLYMNSA-N 434.562 1.360 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1760186561 DJSYPXYHGNVBCI-XHSDSOJGSA-N 437.591 1.142 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(=O)(=O)CC 1760198891 LEYCDUHRXOXGQO-UHFFFAOYSA-N 436.541 1.896 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760218204 AJJLKSSRMHMZEP-WOJBJXKFSA-N 426.565 1.188 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1760261575 UBUHLDHBWFYLNJ-HYBUGGRVSA-N 441.624 1.666 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760261817 CTJPFYSSMMVOBU-MBSDFSHPSA-N 425.533 1.173 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760315559 GMXKVBVFZBVUKB-FSSWDIPSSA-N 432.613 1.799 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccsc2)CC1 1760525886 VMGXKEYHVXUPLW-UHFFFAOYSA-N 437.573 1.950 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CC1COC(C)(C)OC1 1760558060 DZBZGBKFCLEGPQ-MRXNPFEDSA-N 428.555 1.566 30 10 IDEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1760622398 IXEHTZLYKXOPHK-FQEVSTJZSA-N 429.569 1.466 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCn2ccnc2C1 1761480794 KBEFTFPDQZKQLP-RDJZCZTQSA-N 446.581 1.477 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)COCC2 1761483229 UXVUOBNZIONCJN-XOBRGWDASA-N 448.524 1.451 30 10 IDEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1762515334 ZAOCYUDPLVJAMX-ZDUSSCGKSA-N 445.549 1.613 30 10 IDEE CC[C@@H]1[C@@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1765033634 FUJPMQAIFXAMHA-QGTPRVQTSA-N 448.549 1.749 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1765679068 TZFKHXKKJKFXAD-PBHICJAKSA-N 434.522 1.203 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1767558286 HIOIHDSSOLQVNC-QFIPXVFZSA-N 439.520 1.203 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768032119 FURCAYQPCZGIBK-BSBNDGSWSA-N 437.504 1.729 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CC1=O 1771125694 BJXCJMITTOPMAH-CABCVRRESA-N 443.508 1.097 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 1848688893 XUGWXADDRYZWNE-UHFFFAOYSA-N 440.525 1.542 30 10 IDEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)NCC#CCN4CCCC4)C3)sc2c1 1850087434 CDXXBVHUOPOKRF-UHFFFAOYSA-N 432.571 1.351 30 10 IDEE C[C@@H]1CN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CCN1S(C)(=O)=O 1851059532 UMCJYXYOPXWIIH-MRXNPFEDSA-N 441.557 1.815 30 10 IDEE N#Cc1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)c(I)c1 1851282362 VLNPHIDFKGRPEZ-UHFFFAOYSA-N 431.255 1.525 30 10 IDEE N#Cc1ccc(C(=O)O[C@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)cc1F 1852671911 YXCXIGWDYRPLPX-FQEVSTJZSA-N 441.459 1.662 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)cc1F 1853785200 XWQNGSHYGWAEJD-UHFFFAOYSA-N 431.445 1.769 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(F)cc3F)C(=O)C2)cc1 1854037882 OZLOVPLPILDZCS-UHFFFAOYSA-N 433.436 1.829 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@@H]1C 1857064317 UTPMAXFOECIIBR-HNNXBMFYSA-N 427.482 1.937 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 1857122656 UQOPYHSRXPEXBS-CQSZACIVSA-N 425.466 1.555 30 10 IDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O 1861518440 ZXJAATFWAUZVTB-LAUBAEHRSA-N 447.491 1.982 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)C)cn1CCN1CCOCC1 1870478293 SHKFUUQJOSWSEQ-UHFFFAOYSA-N 433.549 1.685 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699614 ISAOZOQKZSZVMM-UHFFFAOYSA-N 428.504 1.655 30 10 IDEE CCOc1cc(/C=N/n2c(COC)nnc2SCC(N)=O)cc(Br)c1O 1874499136 KHEKRFGYDVGIMP-NGYBGAFCSA-N 444.311 1.751 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 2010380412 CQTLEPGPJJGYQZ-CYBMUJFWSA-N 446.289 1.911 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060640807 ZDUORTWGBMWUDH-FICVDOATSA-N 430.314 1.827 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2243406381 XTBBKBRFKHPTJW-CYBMUJFWSA-N 426.344 1.663 30 10 IDEE Cc1c(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255629734 AFAALJHZOJVMHN-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255657131 KOAOWJZUEMWUBB-QRJUGERDSA-N 440.346 1.316 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255695405 DNJVPDXVRKILMR-ZFWWWQNUSA-N 432.330 1.761 30 10 IDEE Cn1cc(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255819853 HVGWTXOQFAVGFF-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255821285 YMWNILPOLWXFIS-KGLIPLIRSA-N 434.346 1.705 30 10 IDEE Cc1nn(C)c(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255825256 WIXRIHBOUJFUCG-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255843588 IVUIMCNAUJEUOL-GJZGRUSLSA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256065678 ZPOQEOQPUQUOGD-OAQYLSRUSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256626012 FBVXFADIVURRBN-KBPBESRZSA-N 433.314 1.690 30 10 IDEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267091903 SRAZJRIQLMCHBG-NEPJUHHUSA-N 444.263 1.628 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267128262 WZWUHPSLCUQORG-GASCZTMLSA-N 446.357 1.943 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2267497521 MHBYOPHMIJKWCS-CQSZACIVSA-N 445.329 1.304 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2334263817 LXGHFAJEFLSKCL-BPUTZDHNSA-N 446.357 1.847 30 10 IDEE C=CCN1CCN(C(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)CC1 65183438 NIORMJRPKJAXGH-UHFFFAOYSA-N 425.514 1.959 30 10 IDEE CC(C)OC[C@H](O)Cn1c(NN=C/C=C\c2ccccc2)nc2c1c(=O)nc(O)n2C 254500607 XUOAWTHXVZNDPI-XBMBHFLESA-N 426.477 1.733 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1C[C@@H]1CCCO1 427299897 AJYOXXCHCPLVFT-FQEVSTJZSA-N 449.576 1.773 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447269587 BZBCZGQVMLMLPE-UHFFFAOYSA-N 444.463 1.050 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1)C1CC1 461808052 GKZMZJZOLXXVQR-SJORKVTESA-N 425.555 1.335 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 487511787 IEJNKLBGVFJKGI-VQTJNVASSA-N 432.484 1.549 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1=O 490217311 OJLHAYLXKFYHAA-SJLPKXTDSA-N 434.443 1.582 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(CCC)n(-c3ccccc3Cl)n2)CC1 492335728 IEPHQXXMGANHPW-UHFFFAOYSA-N 430.940 1.933 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(F)c1 502036386 XTMFUROXZVNSLI-DLBZAZTESA-N 446.479 1.714 30 10 IDEE CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC2=CC(=O)c3ccccc3C2=O)OC[C@H]1OC(C)=O 504082874 PBVBOLVTNHFTRS-BVOGOJNSSA-N 432.381 1.118 30 10 IDEE biogenic C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 506965864 XDFANRHOTVXBGY-KRWDZBQOSA-N 432.502 1.619 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 508648419 IKRWAUJDQQCOCJ-HNNXBMFYSA-N 441.301 1.651 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 508791351 AOJQWYFCYHKENW-WMZOPIPTSA-N 435.525 1.930 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2OC)CC1 509003922 ZJTUKLCOSURVPH-AWEZNQCLSA-N 438.529 1.549 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1 511500230 RVCHHIVIJBANHK-UHFFFAOYSA-N 428.378 1.910 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)OC)cc2OC(F)F)CC1 522843246 JIXNKJUVUKJDQY-UHFFFAOYSA-N 426.420 1.526 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(N)=O 527279836 DYJCLTJLLRJBIG-UHFFFAOYSA-N 441.553 1.529 30 10 IDEE Cn1ccnc(N2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)c1=O 541098842 PCNQLQNTUXFQKD-UHFFFAOYSA-N 438.879 1.845 30 10 IDEE N#Cc1c(F)cc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1F 550114344 CLILQLYABXMILX-UHFFFAOYSA-N 427.454 1.849 30 10 IDEE C=CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 567280610 LNFXEIRSLJRQOF-INIZCTEOSA-N 438.550 1.366 30 10 IDEE CCOC(=O)CC(C)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 606348335 LHHCVWBKTADSCH-UHFFFAOYSA-N 440.504 1.808 30 10 IDEE CN(CCS(=O)(=O)NCc1ccc(C#N)cc1F)S(=O)(=O)c1ccc(F)cc1 609233720 VDQOGNNSOUQKQF-UHFFFAOYSA-N 429.470 1.577 30 10 IDEE COc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1[C@@]1(C)NC(=O)NC1=O 609233782 XZWCYQQQWQCJGY-LJQANCHMSA-N 432.433 1.239 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@@H]1CCCO1 611916148 LDFWVRKKEIATGH-SFHVURJKSA-N 448.548 1.665 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCO3)CCN2C1=O 619851281 YLYVTFXMJYZEFA-MSOLQXFVSA-N 435.488 1.468 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)CC1 730096754 ULVVIXBPFSXKIX-UHFFFAOYSA-N 434.440 1.008 30 10 IDEE COc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)N2CCOCC2)cc1OC 732677030 QWHKEGDVBJENNA-WOJBJXKFSA-N 443.548 1.459 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 748063064 CPDZPOJHBKOEKF-UHFFFAOYSA-N 439.585 1.399 30 10 IDEE C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)Cc2cccc(C#N)c2)C1=O 750429349 BLQWZUDZSYDHCG-HSZRJFAPSA-N 434.452 1.618 30 10 IDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCc2cnn(-c3ccccc3)c2)C1=O 750963957 XSHUCIVKQGJXGK-HSZRJFAPSA-N 428.452 1.827 30 10 IDEE C[C@H](OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)Nc1ccccc1C#N 755187998 YJJDAHKWFTXPJA-WMLDXEAASA-N 444.488 1.944 30 10 IDEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c(=O)[nH]c21 757147114 CPCNJGSOMBEBND-FOSCPCJNSA-N 432.488 1.718 30 10 IDEE CCN1C(=O)c2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2S1(=O)=O 760780876 RQSCHGPVJCEZCM-UHFFFAOYSA-N 425.470 1.080 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O 768783172 UZOGFVNFACVPJO-FQEVSTJZSA-N 432.502 1.562 30 10 IDEE C[C@H](CC(=O)N1CC[C@@H](OCCN2CCCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 769278507 ZUHMTIKINBIBJX-QZTJIDSGSA-N 448.589 1.607 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1C#N 782019748 BKAQBERARNIMQI-WMZOPIPTSA-N 449.916 1.661 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCC2CS(=O)(=O)C2)C1=O 786686809 HRUZBLAZNOUBPA-QGZVFWFLSA-N 435.571 1.678 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 791207590 HJOUXZWMRMLWAC-LJQANCHMSA-N 429.473 1.268 30 10 IDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(Cl)ccc1OC 792775488 YWDIJZZLGLRATK-MRXNPFEDSA-N 442.969 1.994 30 10 IDEE C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 803922867 DVGDYCFJSGRJNF-LBPRGKRZSA-N 431.445 1.947 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 809892751 DQOPLKABACWFTB-QGZVFWFLSA-N 433.534 1.904 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)C(=O)OC 1139176361 XKRRCOVNYALVAB-HUUCEWRRSA-N 426.416 1.753 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)c1cccc(Br)c1 1152128975 SVTAEHXFIFDNFJ-UHFFFAOYSA-N 432.296 1.033 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1S(=O)(=O)NCC#N 1158288076 JPLOZOMVCPANRI-ZHALLVOQSA-N 445.545 1.921 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(CO)CCc2ccccc21 1164471155 ATNIQMMLZJWYHB-JOCHJYFZSA-N 427.526 1.498 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1167477085 CXJPINBFWCZQJF-UHFFFAOYSA-N 428.514 1.898 30 10 IDEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1178164383 RVZGLSYOLVPIFP-CQSZACIVSA-N 445.501 1.296 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1Br 1189839952 CGIMXDKJUVSGRB-CYBMUJFWSA-N 448.364 1.509 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1scnc1C(=O)OC 1194803339 WCFXIVGPBWIJRD-UHFFFAOYSA-N 443.547 1.953 30 10 IDEE N#C[C@@H](C(=O)CO[C@@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 1252577752 GNPATCNSRYFVFC-AEFFLSMTSA-N 435.502 1.314 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCN(CC)CC)c2ccccc2)CC1 1256405179 QGZWDGOGEKPVCF-FQEVSTJZSA-N 435.594 1.254 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)cc1 1264645408 QHGSDDJRPWIPMT-RJHYDAJSSA-N 432.506 1.380 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC1CC1 1286275913 PPYODSXBTUFADO-AWEZNQCLSA-N 443.577 1.531 30 10 IDEE C=C(Br)Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1286548449 OCNOQCHFFYZMFA-UHFFFAOYSA-N 439.358 1.411 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286781647 WILIOSNHXJPZIT-HNNXBMFYSA-N 449.556 1.164 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286785021 BXINIYNVWXIYKA-UHFFFAOYSA-N 429.525 1.643 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(N)=O)CC1 1286815600 XMXBYMOPSZTCAY-UHFFFAOYSA-N 433.534 1.256 30 10 IDEE CC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)N1CCOCC1 1294334866 TYSKWQLTBGHTLF-IZCOPSDLSA-N 434.537 1.527 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(OCCOC)CCOCC1 1300467323 FZMFABRQCIBNMV-UHFFFAOYSA-N 438.532 1.798 30 10 IDEE CC(=O)NCc1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1300632624 AFPHQDWAIGVXRW-CQSZACIVSA-N 428.514 1.456 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnn(CC)c2)CC1 1300726276 MSJDORANHSLOQM-LJQANCHMSA-N 425.537 1.403 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1301424226 IFBCRENGFDPWMA-AWEZNQCLSA-N 426.568 1.222 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1301438427 AAXZAHKIRYNVGG-QHCPKHFHSA-N 440.548 1.909 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301512137 MGZYVGANGFGVOD-YGCDDZCOSA-N 437.504 1.729 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1301592680 BVYVHTHCIIWXOU-SFHVURJKSA-N 445.545 1.804 30 10 IDEE COCCCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1301619893 GLMYXGIRPHXULK-HOTGVXAUSA-N 449.533 1.325 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1309311770 BAZALDQEQGMFMW-LBPRGKRZSA-N 447.318 1.882 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO1 1312485309 JNWQNGWWNMVSHU-NVXWUHKLSA-N 429.477 1.904 30 10 IDEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1315495926 BIYJJFFBZUDGGF-YJBOKZPZSA-N 448.549 1.406 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1cccnc1N1CCOCC1 1316103189 DSRMQESCLFOHSO-LJQANCHMSA-N 441.536 1.776 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)ccc1F 1320167510 XJPDUXLMIYZLCB-OAHLLOKOSA-N 442.512 1.966 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358962906 YYFDXAYNAXTLQV-HNNXBMFYSA-N 449.533 1.058 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1358965825 BPCKBEBJQGJZST-QGZVFWFLSA-N 433.578 1.463 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358976296 YNZBHEGZYRXXQF-UHFFFAOYSA-N 441.539 1.813 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1358979721 VUYSVHBDJJTSTG-FQEVSTJZSA-N 435.484 1.112 30 10 IDEE C=C(Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1359140717 KBNACPKCIAOTMO-UHFFFAOYSA-N 440.548 1.701 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359228760 NMXYNMDZBOMRQH-NRFANRHFSA-N 444.561 1.721 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)NC)CC1 1359305081 SHRVMIWNCYBVIM-UHFFFAOYSA-N 442.520 1.130 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1360700037 KVQDPXNDRPSIMU-HNNXBMFYSA-N 449.581 1.712 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3sccc3C#N)CC2)cc1 1437455509 QKTMRBNDAQUAFM-UHFFFAOYSA-N 434.543 1.510 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(Cc3ccccc3)c2CCC)CC1 1455114945 IWDMGYVNJVGQKQ-UHFFFAOYSA-N 429.546 1.109 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1460636218 KDZZSZBQGHIULG-HXUWFJFHSA-N 435.550 1.998 30 10 IDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1 1468083011 FFYPRFYYIPYWHU-JKSUJKDBSA-N 428.514 1.089 30 10 IDEE COCCOC1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 1470034085 WCAPTXDIOLGUCZ-LJQANCHMSA-N 430.505 1.171 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1470223399 UCPYXROUPRHUST-MRXNPFEDSA-N 438.509 1.919 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1470847555 SXMJNDFKCCYGBM-KRWDZBQOSA-N 434.537 1.326 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2cncc(C#N)c2)c1 1471967405 LBJGLNKBZSILHH-UHFFFAOYSA-N 429.502 1.030 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CNC2(c3ncccn3)CCOCC2)CC1 1473822462 JUSUUVKOYXLAPA-HXUWFJFHSA-N 438.507 1.620 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1505083689 ZVPDQIBUWGYBMV-LNLFQRSKSA-N 441.492 1.133 30 10 IDEE C#CCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507598724 HLONSQAALONMRD-ZJSXRUAMSA-N 444.624 1.948 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@H]2COCCO2)n1 1507716834 NKDRUNHPYSISNK-FQEVSTJZSA-N 428.537 1.834 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507728387 SFQUNSDLDHFJRQ-NRFANRHFSA-N 441.601 1.643 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507753478 GGQYLIOZCGVKBG-GJZGRUSLSA-N 434.566 1.699 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1507802972 AFYHHSBHELVREA-YLJYHZDGSA-N 431.537 1.771 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 1507868025 DGECAPBDBKVEPU-ILXRZTDVSA-N 433.962 1.367 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1)C1CC1 1507989814 AMQHRHQADUDXQC-ZDUSSCGKSA-N 436.513 1.821 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C)C1 1508075648 YUBHYQFSBCDWSY-CQSZACIVSA-N 431.493 1.498 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1508084280 LFSKXCQBHITYQS-UHFFFAOYSA-N 436.520 1.816 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)NC(C)C 1538977433 WBAVJDLXYXXPSG-VQIMIIECSA-N 427.571 1.104 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539094430 PRPBXXIOGBOBIU-GOSISDBHSA-N 433.553 1.491 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1539120396 UPIIKAVEXMBMSA-IBGZPJMESA-N 447.605 1.823 30 10 IDEE C#CCCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1539141053 RPWMDAGMCALWDY-QHCPKHFHSA-N 431.581 1.892 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539231603 UFCRCNUVZZTXRL-GDBMZVCRSA-N 435.575 1.824 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@](C)(CC)O1 1539265770 KIPVIAFVPAMDIO-LQWHRVPQSA-N 449.577 1.032 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1ccn(C)n1 1539413744 NUYBGORPOMSBGF-UHFFFAOYSA-N 432.488 1.656 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(N2CCOCC2)CC1 1539417576 MTKZRDSEMQMBJO-UHFFFAOYSA-N 427.524 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1539477178 JRKRYVBMHPPXAM-OPAMFIHVSA-N 425.537 1.498 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1540136531 IRBFZSFFLNBXBE-AVRDEDQJSA-N 428.512 1.628 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1540866777 ZRRLIRBZSZFJHB-OAQYLSRUSA-N 432.492 1.353 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O 1540867123 LHUNMSKLSCYCMT-UHFFFAOYSA-N 442.545 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1540903595 DEIXRZIKFNUODC-KRWDZBQOSA-N 448.545 1.478 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)N2CCOCC2)CCOC1 1541724506 SRNGBKWKSAGSAH-AVRDEDQJSA-N 432.569 1.779 30 10 IDEE CCCCn1nc(C)c(-c2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n[nH]2)c1C 1542978412 OXQLQRMGEBYWSJ-XUTLUUPISA-N 425.493 1.946 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 1544338253 AVQONISFLGVNDB-CQSZACIVSA-N 433.870 1.406 30 10 IDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCS(C)(=O)=O 1546538770 IEKQUEFWJFBSED-UHFFFAOYSA-N 446.577 1.096 30 10 IDEE COC(=O)c1ccc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(OC)c1 1556755835 VBWQQFASMMGNJS-UHFFFAOYSA-N 434.445 1.891 30 10 IDEE COCCN(CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C 1559032928 NZHXOBQTMJTFPM-UHFFFAOYSA-N 435.477 1.774 30 10 IDEE C#C[C@H]1COCCN1CC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1559900025 VQZOICIMTZWVJO-SFHVURJKSA-N 439.516 1.198 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1565653646 ZUAOFFRRGUQTJF-MRXNPFEDSA-N 444.536 1.148 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)ccc1F 1583873537 YDKPFSXTLRXSGB-LQDVMPOASA-N 430.523 1.376 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(OC)CCOC1 1587632965 QIHXBNITSYYSEK-VGOFRKELSA-N 425.537 1.716 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1587904621 LQUWGSWQTKRZSP-UHFFFAOYSA-N 442.911 1.105 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1587909346 JGRUWFPACGCMHJ-PXNSSMCTSA-N 444.605 1.795 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1587975049 KWZGVJMTYCJCNO-LPHOPBHVSA-N 436.516 1.796 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1588045358 JJIJJHIQBRNWAZ-GOSISDBHSA-N 448.614 1.996 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1588074863 ULCIJXWUQJNKJW-VQTJNVASSA-N 444.557 1.951 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588166820 QDDVNQLSGGMGPL-QGZVFWFLSA-N 445.520 1.351 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1588314329 ASDRUFNTBGRUDX-QGZVFWFLSA-N 427.505 1.957 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(F)c1)N(C)C 1588637958 LOVAJMXKZKOLCV-MOPGFXCFSA-N 428.512 1.757 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NC)C1 1589052987 BXQWFMUFEXNGQJ-CQSZACIVSA-N 430.534 1.335 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1593908170 HIBODKZQHGAREW-UHFFFAOYSA-N 444.989 1.451 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(OC)C1 1595506601 GNYPKHCZMNFCEI-OAQYLSRUSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595506720 KLMBGQWGVBAUFW-WBVHZDCISA-N 443.460 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OC)C1 1595759890 HGMXBGWRTBCHPP-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE C=CCNC(=O)CNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1597688926 MPZWKDDQXRJGNL-LLVKDONJSA-N 428.440 1.430 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)C2)c(=O)nc1O 1607498068 QOASGLUNUZYFBR-UHFFFAOYSA-N 444.373 1.781 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1627601381 LAGHYURALSNFGH-KSFYIVLOSA-N 428.489 1.664 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CCN(CC#N)CC3)ccc2NC1=O 1628350915 RLDRYZOEFOZZSI-GOSISDBHSA-N 427.505 1.746 30 10 IDEE CSCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nn[nH]n1 1633462560 YZIIMKHJUKAYBB-SGJMOYSZSA-N 435.554 1.897 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)C2)C1 1636446992 AMAOQGUWXXJMRI-YYHKSVKZSA-N 426.539 1.053 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1638075376 QLEKMVYHJYTJBA-INIZCTEOSA-N 431.480 1.978 30 10 IDEE CC(C)(C[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1)C(N)=O 1641018139 JCSOPAVGWVAOMO-AEFFLSMTSA-N 439.516 1.903 30 10 IDEE C[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1 1643818326 GJWDNUARTKTTOD-AWEZNQCLSA-N 449.554 1.439 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1648130597 UQDMOTYJIGDZAY-LBPRGKRZSA-N 433.324 1.142 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCC3(CC2)CNC(=O)c2ccccc2O3)c1 1648305525 XCMAEJNCXNLOEU-UHFFFAOYSA-N 425.510 1.989 30 10 IDEE O=C(NC[C@H](n1cncn1)C(F)(F)F)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1648767090 PPRJSDCNLINCBL-LURJTMIESA-N 436.263 1.957 30 10 IDEE C=CCOCCNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1656144544 ZFXMFYGEXBXODX-UHFFFAOYSA-N 439.271 1.867 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)CC1 1660459645 JJBLCSYYXBJIHS-UHFFFAOYSA-N 426.951 1.396 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])CC1 1675065289 NCHRVNFNDQXACU-UHFFFAOYSA-N 428.493 1.340 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)C2 1675444189 LOJYOVVYQHUEBQ-LJQANCHMSA-N 428.489 1.881 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2cnnn2C)c1 1689871696 BVUDQKFWQXXVRF-UHFFFAOYSA-N 441.499 1.497 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1C 1689965655 ANSPYDATRVMFMH-IBGZPJMESA-N 447.561 1.458 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690470993 QUYATJLAAWTRSS-MRXNPFEDSA-N 439.586 1.192 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690644442 LHRIVEXZYSFKTA-QYZOEREBSA-N 442.545 1.541 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2F)C1 1690669505 HLVNWAPAMLBTEI-IRXDYDNUSA-N 428.468 1.248 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1690677004 KOSDQBLPKFNJMM-VGOFRKELSA-N 443.552 1.035 30 10 IDEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690746611 DZSQBOMCNWYVAF-QZTJIDSGSA-N 445.545 1.661 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCOCC1 1692693357 BKIPHDTWTQECKS-LPHOPBHVSA-N 444.561 1.161 30 10 IDEE Cc1occc1CN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692930982 LOXJFBDQDZBWQN-MXLIYFDZSA-N 426.477 1.846 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1693219033 QTLWSWWRSLYPBV-KKSFZXQISA-N 441.467 1.596 30 10 IDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1697070204 HMLKDRPHRVHDLY-OAHLLOKOSA-N 439.520 1.995 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1705567091 UAHWFJNVBVFNHF-OAHLLOKOSA-N 428.543 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC 1705594106 QHMLMDNNFHGFKS-UHFFFAOYSA-N 428.514 1.614 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1705595691 BZGBGGGCDZJFBO-UHFFFAOYSA-N 443.511 1.181 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1705598642 NRZFUZJWCOHZHB-IBGZPJMESA-N 445.589 1.436 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705640006 BBUHOCACNDTUJP-IBGZPJMESA-N 445.564 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccco2)N(C)C)CC1 1705647822 LWRIYOIJYMAABM-LJQANCHMSA-N 448.531 1.597 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1705708110 XXVBHUQXRWVREC-HAGHYFMRSA-N 433.553 1.652 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2OCCC2(C)C)CC1 1705769459 SVSMUNMPHRPSMB-IAGOWNOFSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909535 ZTRUSQFFIGOGFU-QFIPXVFZSA-N 448.568 1.070 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1705911511 JNTVQCITDNRMSD-SFHVURJKSA-N 441.532 1.866 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1706069409 CCJOSMYFZLIBNJ-INIZCTEOSA-N 426.525 1.632 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1711471056 HQAZJQGQFQKVCK-UHFFFAOYSA-N 449.471 1.728 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1722371310 VGLWETHOBBANOI-IBGZPJMESA-N 446.573 1.717 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1722395273 XAKVYEGFKHYPLD-OAHLLOKOSA-N 429.322 1.788 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)NC(C)C)CC1 1722435122 GUXLCNZGYIJWGC-UHFFFAOYSA-N 446.577 1.037 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCO2)CC1 1722443134 CZXPDZQZQAQIEX-WMZHIEFXSA-N 445.564 1.465 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1722482885 DEPXMPBEWOYFDT-ZDUSSCGKSA-N 425.331 1.490 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1722862719 DUCXFJLPCJBWBV-LSDHHAIUSA-N 433.538 1.513 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2cnn(C)n2)CCOC1 1723677607 STTSKPNHZIZVIN-PMACEKPBSA-N 432.504 1.522 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCCS(C)(=O)=O)CC2)c1C#N 1725863393 ORZWYYUZWMUCPZ-UHFFFAOYSA-N 434.570 1.042 30 10 IDEE COCCOCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1730921695 DUTFXTZDQQSOBI-APWZRJJASA-N 429.477 1.572 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740617251 OOSJQSRIKXBATQ-MAUKXSAKSA-N 429.546 1.566 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628972 XREFPFSSHMMKLO-RTBURBONSA-N 437.610 1.706 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1740717113 KBEOGDBYYMDRHV-QGZVFWFLSA-N 449.606 1.055 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740718879 CZVSGNBWDGJGRY-QZTJIDSGSA-N 425.558 1.959 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC2CC2)CCOC1 1741724378 IQFVCLGVJXUIRW-JOCHJYFZSA-N 430.553 1.975 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC2CC2)CCOC1 1741724380 IQFVCLGVJXUIRW-QFIPXVFZSA-N 430.553 1.975 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCSCCCO 1741923613 WDQVMBZCCQYKPO-CQSZACIVSA-N 430.600 1.134 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCSC1(C)C 1741944084 KJYFIDRJSUGHOV-BFHYXJOUSA-N 428.584 1.149 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1747603265 UARQYAQSXJSWDZ-KRWDZBQOSA-N 437.457 1.187 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1748706932 VQTAQXDKZDRFMD-KRWDZBQOSA-N 433.520 1.816 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1748717603 DIDXGGADLDXGEY-SJORKVTESA-N 433.578 1.479 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1748751562 IVVMYCWWBNVEIS-NJDAHSKKSA-N 442.608 1.822 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1748765681 QCKSSPSORGCUFG-GIMINZRKSA-N 444.536 1.230 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748811573 IPEAJFDPHXAARA-CQSZACIVSA-N 444.483 1.894 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2-n2ccnc2)CC1 1748978623 PZHPIGNTDJLXIY-FQEVSTJZSA-N 449.559 1.991 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2ccnn2)CC1 1748978939 UNJFTIZMYBLWNH-GOSISDBHSA-N 438.511 1.994 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CN(C)C)CC1 1749001586 XHWQWUNNVJZEGM-UHFFFAOYSA-N 443.596 1.068 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749038865 MJHHWVPZWGKIJU-SJLPKXTDSA-N 448.618 1.349 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC(=O)N1CCOCC1 1749078130 FVCAUQQONJDWRI-HSZRJFAPSA-N 439.516 1.717 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1749097187 QPHUMUNTBLPHAI-DLBZAZTESA-N 429.477 1.400 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1749115113 LOMXXVFNAFFQJK-PKOBYXMFSA-N 432.569 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@H]1C 1749724037 GKFQWJHXUZCCDM-GFCCVEGCSA-N 444.355 1.862 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCC(C)(C)O)n1 1751852923 RDAZOVONXLQZFX-UHFFFAOYSA-N 449.563 1.894 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760095454 PFRHXJPLYZCWAH-WIYYLYMNSA-N 436.560 1.587 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1760235164 DNKKHWBTDSWAHW-LBPRGKRZSA-N 441.501 1.324 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1760251644 FLFFSVBVCGMSCO-HXUWFJFHSA-N 437.592 1.692 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCNC(=O)c2cccc(O)c2)CC1 1760258148 QDXVUSNUIKHVBM-UHFFFAOYSA-N 433.516 1.554 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(F)cc(OC)c2)CC1 1760263474 CHZRVZZAYJADFF-RXVVDRJESA-N 443.523 1.953 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1760464491 ILMZGSRWEHFOGW-INIZCTEOSA-N 425.942 1.935 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1760465255 ZZXTWGSAKKWQKA-SFHVURJKSA-N 435.550 1.485 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)C)CC1 1760526182 GZMAQZXRYNNVKL-UHFFFAOYSA-N 445.593 1.492 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1760527943 NEDKNCKYQAKASJ-UHFFFAOYSA-N 447.584 1.718 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)COCCO1 1761036356 RGWMCNUZNFQDGB-JOCHJYFZSA-N 425.537 1.875 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1761362148 ANLKIKIHHHJBIL-DOTOQJQBSA-N 432.550 1.801 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1763102203 HKULZTORIJRWJV-LZICOFPGSA-N 437.504 1.870 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766762153 VRGJDMJVEWHMBX-ZQHDKMAOSA-N 429.550 1.491 30 10 IDEE CN(c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1766958985 YCIRCDLGSGIVIA-HMWBCQRISA-N 443.895 1.745 30 10 IDEE CCOc1ncccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1767651559 VKGACDUXTRJCFN-BZSNNMDCSA-N 428.493 1.573 30 10 IDEE CNC(=O)CCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1769293964 OYAPAKHUAFYBNY-MXLIYFDZSA-N 445.524 1.009 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 1851579097 CGESNGILWRZAQZ-GOSISDBHSA-N 437.475 1.811 30 10 IDEE C#CCN(C)C(=O)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1OCC 1851915213 NSUUFUZPUCYLEW-UHFFFAOYSA-N 430.482 1.998 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)CSC2CCCC2)C1=O 1854337533 HPKZTBHIGDAAST-GOSISDBHSA-N 428.562 1.662 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C(C)(C)C2=O)CC1=O 1854443236 CICHTEXEYUIHCD-MRXNPFEDSA-N 433.530 1.168 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C3CC3)CC2=O)[C@@H]1c1ccc(C#N)cc1 1856674245 IQJWYBVPXWGGAO-SFTDATJTSA-N 426.542 1.785 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)cc1 1862605707 APQVJLPEOBQQQO-HXUWFJFHSA-N 438.436 1.878 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCS(C)(=O)=O 1868887606 XKJDVRKEBWGLHJ-IBGZPJMESA-N 436.530 1.275 30 10 IDEE C#CCOc1cn(CCCOC(C)C)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870562170 UCPLZGDMSDSYDU-UHFFFAOYSA-N 425.533 1.788 30 10 IDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1cc(OC)cc(OC)c1 1871260180 CKPLHEXBPFIAIW-UHFFFAOYSA-N 431.489 1.541 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874337978 PVTIZHAWUYMZMZ-NXSNIQIJSA-N 433.490 1.561 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CN(c3cnccn3)C2)[C@H]1c1ccc(C#N)cc1 1889549230 ZUOVDTUPPAPGIX-RTWAWAEBSA-N 436.541 1.747 30 10 IDEE C=CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(Br)c1=O 2126911869 WOFPXSMRPHPZTI-OLZOCXBDSA-N 429.315 1.974 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243389017 PXEFPDLVJLYDQW-LLVKDONJSA-N 427.332 1.058 30 10 IDEE C#CCN(CC(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2244376042 PBZHECRNBPEZNA-OAQYLSRUSA-N 425.526 1.735 30 10 IDEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248403320 GAMOSCJJOIKSPC-UHFFFAOYSA-N 441.359 1.600 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609789 KLNJIPAFIVDOMB-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628963 PEHFASNZTHYTKE-CHWSQXEVSA-N 438.309 1.786 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)n1 2255649502 KKFOFPJTAJRMMW-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255704983 OMUPHHPVCGGDOP-DZGCQCFKSA-N 436.314 1.848 30 10 IDEE Cn1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255829936 XMYYUPSQRUSPSD-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067256 MSSDCQLGNLOOLO-ZIAGYGMSSA-N 432.330 1.761 30 10 IDEE Cn1cc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1 2256929381 PWLXEWGMPGYCJJ-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267270450 LOKYSINQZKHZCR-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 2267272415 ZAGXMKGEWGJSBM-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267504236 PMVJBDDWLYRCOI-IIAWOOMASA-N 446.357 1.847 30 10 IDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2272083865 JVTDWYUDOAWOSN-VQIMIIECSA-N 426.491 1.099 30 10 IDEE C=CC[C@]1(CN)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287690086 GSBYWBFLDRXFKZ-NHCUHLMSSA-N 437.537 1.958 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1nccn1Cc1ccccc1 2337193457 VNNYUZUFLRISDO-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE C#CCN(CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 111048025 HWVPEGLJRMJJEJ-HXUWFJFHSA-N 428.558 1.287 30 10 IDEE N#CCC(=O)NC1CCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169852035 WXAYVRUFACSEFK-NRFANRHFSA-N 444.491 1.915 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCOCC3)cc2C1=O 463087399 LCCZCJOUCBYRKD-OAQYLSRUSA-N 447.491 1.669 30 10 IDEE CN(C)CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCS(=O)(=O)C1 467648794 BWSUSTNRRUVLOK-SFHVURJKSA-N 428.514 1.936 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(F)cccc2CC)c1=O 478735573 BCJIQVXCLKESLC-UHFFFAOYSA-N 429.517 1.453 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(C[C@@H]2CCCO2)c1=O 486820671 PYIKKMMBHHQQRY-KRWDZBQOSA-N 426.542 1.475 30 10 IDEE CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491830642 FEBMWFUVLWHFEJ-UHFFFAOYSA-N 440.550 1.210 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 506272589 REPIPMVJIABXED-GOSISDBHSA-N 432.952 1.639 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)NCc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506635331 MROXKLXVDVCQKB-OAQYLSRUSA-N 449.559 1.030 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CC1 524366048 LHPPXLSMHIEEDE-HXUWFJFHSA-N 433.516 1.757 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1-c1ccc(F)cc1 525686896 OJECOMDESTVQBX-UHFFFAOYSA-N 434.452 1.167 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1Cc1ccccc1 525778073 CPTSPPFQKAQSRP-UHFFFAOYSA-N 437.521 1.515 30 10 IDEE CCOc1ccc(-c2cn(C3CN(CCS(=O)(=O)c4ccc(C#N)cn4)C3)nn2)cc1 554786765 XVYDPOCQRDTNEY-UHFFFAOYSA-N 438.513 1.941 30 10 IDEE C=CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 558419979 ZLDPACQLRYQYEK-GDBMZVCRSA-N 425.507 1.319 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 572388220 RMJICKVQJBZIHT-CVEARBPZSA-N 429.612 1.909 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCCN(S(=O)(=O)N(C)C)CC1 582389342 HEIOCAXVSQJWKM-INIZCTEOSA-N 439.607 1.833 30 10 IDEE N#C[C@@]1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCSC1 603885489 APVDIDCCYINSPF-IBGZPJMESA-N 448.526 1.090 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)s1 726178927 QHWHOKKNDXGPFS-UHFFFAOYSA-N 446.598 1.125 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)[C@H]1CCS(=O)(=O)C1 729331297 LWTHRVJRRCKRCC-AEFFLSMTSA-N 438.571 1.512 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 733150098 AKWHAECAWQDIAF-SLYNCCJLSA-N 439.556 1.796 30 10 IDEE Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737304817 CNHMABDLTOFGHY-VHEBQXMUSA-N 443.529 1.129 30 10 IDEE C#CCN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCS(=O)(=O)C1 749283492 DRFYLJSBEVNFFC-PXNSSMCTSA-N 437.993 1.715 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)OCc2csc(CC(=O)NC)n2)ccc1F 754814695 UPYXFKUHOSFUAN-UHFFFAOYSA-N 427.479 1.392 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnc(CC)s2)c1=O 758078623 QKFROECXJHPTLN-UHFFFAOYSA-N 435.530 1.956 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CCCOCC 772897422 GYJNJDLEUBODSM-UHFFFAOYSA-N 448.548 1.690 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649429 PBCNUYAQPAKIBL-UHFFFAOYSA-N 428.558 1.616 30 10 IDEE N#Cc1cnn2c(O)cc(COC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)nc12 782463987 SJCMPJFQOGNHBZ-UHFFFAOYSA-N 435.421 1.712 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 785734508 WZADLICONAUKPN-FQEVSTJZSA-N 436.534 1.244 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)n1 789002674 TZWOLJUURYVQLQ-LJQANCHMSA-N 425.537 1.696 30 10 IDEE C=CC[C@@]1(C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCN1C(=O)OC(C)(C)C 790744069 YCUYCTYLADPFLG-IBGZPJMESA-N 442.538 1.556 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 800774366 WTDPMKSAIMFPDX-UHFFFAOYSA-N 428.493 1.186 30 10 IDEE COC[C@@]1(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CCN(C(=O)OC(C)(C)C)C1 810517711 LTTXGCBHZHQMPI-HXUWFJFHSA-N 437.518 1.778 30 10 IDEE COCCNC(=O)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1141289006 NFYURFUVVSKDEX-UHFFFAOYSA-N 449.349 1.758 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)c1 1141485482 DUEVUMYMNJSGNJ-UHFFFAOYSA-N 439.537 1.861 30 10 IDEE CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1143636581 YQAGVBAIZPYRAG-QILLFSRXSA-N 430.436 1.513 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 1161780777 JLUUHPVLBXTZNV-ZDUSSCGKSA-N 432.468 1.710 30 10 IDEE CN(CCc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1169894582 BRNHUIAQCGMHBL-UHFFFAOYSA-N 429.498 1.699 30 10 IDEE Cc1ccc(Oc2ccccc2NC(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1 1189977674 VOALVHMKRARKPG-UHFFFAOYSA-N 434.452 1.922 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1286273917 LFMVKPZZQZXLKJ-NJSLBKSFSA-N 439.969 1.907 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1286388747 BKFBSDAXVZSQOH-KRWDZBQOSA-N 430.534 1.179 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1286393309 JXBNGPPWRRBFGL-LJQANCHMSA-N 447.536 1.161 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1286448633 ZYJFZFJCXLYEBL-INIZCTEOSA-N 437.591 1.683 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1286463587 IUUQLGOZZRNSPN-OAHLLOKOSA-N 432.502 1.195 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCC2)CC1 1286474065 YVSCXVLUHZFLET-UHFFFAOYSA-N 441.532 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1286494960 WMIJCFDMWJGYPX-WSTZPKSXSA-N 429.565 1.953 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCOC)CC1 1286539249 XNYNXWOUIJEURS-CQSZACIVSA-N 428.331 1.770 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CCN(C)C)CC2)CC1 1286648402 ORRRGEKAWRODHE-UHFFFAOYSA-N 429.613 1.831 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286781727 YSFYWNKKYHCRMH-HNNXBMFYSA-N 444.540 1.574 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286789051 NYRBJNNJQQFWKI-GOSISDBHSA-N 431.562 1.493 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1286814779 GQACGABFXUKKKY-OAHLLOKOSA-N 437.953 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286820623 OLCPAXXEZYWVHY-MIALQEHNSA-N 440.566 1.156 30 10 IDEE CC(=O)N1CCN(CCn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC#N)CC1 1286889234 HKPRYDBKIKDGDR-KRWDZBQOSA-N 427.557 1.042 30 10 IDEE C[C@H](C(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 1287499671 VAFWEIMCTILQJG-NVXWUHKLSA-N 432.525 1.975 30 10 IDEE CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1291648946 DQLGLUVHZMEHPP-OOJJEUIESA-N 427.552 1.228 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1293867650 BMICSWUAMBXVPS-SPEDKVCISA-N 448.568 1.600 30 10 IDEE CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1294588406 FHHPJWBADIQCCG-CQSZACIVSA-N 435.529 1.636 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1300287238 WMEZHGHGJSDXML-CVEARBPZSA-N 440.533 1.204 30 10 IDEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(S(C)(=O)=O)CC1 1300419792 TYLJPEFVHDDKRW-UHFFFAOYSA-N 426.546 1.776 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCC[C@@H]1NC(=O)NC1=O 1300656186 AUFWRMZWJATMTR-INIZCTEOSA-N 436.472 1.766 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1300904551 UXIILZGNKVHIHB-UHFFFAOYSA-N 448.474 1.830 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301018334 ZSLLCZZUAYRORJ-CQSZACIVSA-N 444.989 1.622 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301036119 AVPJSKCYVPJOEK-INIZCTEOSA-N 429.912 1.407 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COCC)cc1 1301295771 ABQPSEAGWWPRNK-LJQANCHMSA-N 449.577 1.818 30 10 IDEE COc1cn(C)nc1[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1304055942 UMMMQVQIJSWCHQ-ZFWWWQNUSA-N 433.534 1.759 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2ccc(Br)cc2CC(=O)OC)cn1 1309664739 PVOWDGXUKUZYFJ-UHFFFAOYSA-N 426.292 1.473 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)C[C@H]1O 1315113631 XBTVLTATTQSWAP-YXJHDRRASA-N 429.477 1.124 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1316186549 JNYOUSNCDIXEBN-MRXNPFEDSA-N 442.520 1.964 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1C[C@H]1CCCO1 1317906191 DBSDVGVAOQCCHO-OAHLLOKOSA-N 446.598 1.698 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1320039890 QSLFRBMNLODURP-OAHLLOKOSA-N 445.944 1.589 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CC2)c(F)c1 1352239103 SAWUAXOOXQIVDG-OAHLLOKOSA-N 448.545 1.947 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)C1(OC)CCOCC1 1358946752 HFNFGXFDKIGZBI-UHFFFAOYSA-N 437.447 1.906 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358952675 UGRFUZWESHAUAL-KRWDZBQOSA-N 439.486 1.862 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CN(CC(C)C)CCO1 1358976866 UYBVETFKWSLIHE-GOSISDBHSA-N 438.532 1.435 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N(C)C 1358982349 SWPSIUPYSLSCAH-UHFFFAOYSA-N 429.546 1.438 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359091028 INYPDDOBCIDURG-UYAOXDASSA-N 427.553 1.948 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCOC2)CC1 1359179173 NUHFPWUEDVXOBJ-ROUUACIJSA-N 439.582 1.440 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1359255734 IYTBBSFCGUUSJL-OAQYLSRUSA-N 427.530 1.769 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1 1359330385 QBNCEMPRHNUWDZ-UHFFFAOYSA-N 442.549 1.001 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)CC)CC1 1359331892 KALIRTYQQSFZNP-KRWDZBQOSA-N 438.598 1.141 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359334857 SMMTVYFJUZMXHU-RBUKOAKNSA-N 447.609 1.413 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1359368166 DCOOXVSCONSFAL-SFHVURJKSA-N 442.545 1.310 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359630261 OJNUOMOEEWNXNY-MRXNPFEDSA-N 446.577 1.848 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)CC2)c1C#N 1447774641 BYTMQSKIBQMCBR-CQSZACIVSA-N 426.468 1.797 30 10 IDEE C[C@@H](Sc1nc(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1)C(N)=O 1448832734 BBNSAOWGWQUCRE-MLGOLLRUSA-N 443.554 1.440 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC#C[C@@H]1CCCCO1 1457035953 YWFSYVSLWBWYEG-ROUUACIJSA-N 440.949 1.562 30 10 IDEE C#CCN1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 1465276789 HKLXFODASWTAPQ-UHFFFAOYSA-N 428.352 1.285 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)Cc1ccc(F)cc1C 1478876450 QMMRFNKEEIGQAZ-SFHVURJKSA-N 438.507 1.837 30 10 IDEE CC[C@@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1496067886 XLMZGPJJVXDCHE-IGGDJGDASA-N 443.552 1.913 30 10 IDEE CCCN1CCCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1501008161 CDKSKDIAHNZOTN-QQMHEVNUSA-N 443.552 1.767 30 10 IDEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)cn1 1502225262 HBEIMRQNKJHYDF-GOSISDBHSA-N 434.504 1.860 30 10 IDEE CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1502240132 BVGSMNZQUNDQGX-QGZVFWFLSA-N 440.533 1.348 30 10 IDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1503195492 UPMIMKOBNJWJFT-SFHVURJKSA-N 446.577 1.961 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1503283057 CHPWFHVATYAOBA-IBGZPJMESA-N 436.513 1.259 30 10 IDEE CC[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503301596 VQXSLDPNZJQVQK-WYIRRWHOSA-N 430.534 1.476 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1503366847 GVSPKTGDMYTFGQ-IBGZPJMESA-N 437.548 1.882 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c1 1503740357 HGXZAMVQRJFFRJ-KBPBESRZSA-N 433.538 1.035 30 10 IDEE COC1(C(F)(F)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1504010604 KQLMJYZQSWZVJE-QGZVFWFLSA-N 444.458 1.689 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N(C)C)cc1OC 1504154927 FURHTIATWCZDFP-CQSZACIVSA-N 436.538 1.592 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(O)CC1 1507522194 UKLYEKLNWLPZLX-QGZVFWFLSA-N 445.589 1.653 30 10 IDEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507565758 GKRSVGCMDDJYON-UHFFFAOYSA-N 445.589 1.957 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632670 OYUZIHRBMPJUIG-IBGZPJMESA-N 435.594 1.285 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1507727747 SUTLATBOLLJZNE-HXUWFJFHSA-N 449.559 1.205 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507732899 VBVSWBNIAJQCRX-HTAPYJJXSA-N 445.951 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2(O)CCC2)CC1 1507733574 DFACRJVNVKRSNT-UHFFFAOYSA-N 444.580 1.467 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1507749333 YGUSOHFALQREKW-UHFFFAOYSA-N 436.541 1.977 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@H](C)CC 1507820360 CDHXOZHTVGYRCC-UWVAXJGDSA-N 443.614 1.811 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)NC(C)C)CC1 1507894321 ARNGTXWGCJSLFH-UHFFFAOYSA-N 447.565 1.656 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@@H]1N1CCOCC1 1512420147 NBDUZJINUHEBKD-PXNSSMCTSA-N 437.548 1.452 30 10 IDEE CS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C#N)CC1 1519522557 CNLJPWWTURZBEQ-UHFFFAOYSA-N 425.518 1.915 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c1 1525780738 AMOKOMASDPNKLX-RHJMSYDWSA-N 435.424 1.784 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1531588288 YCRIJQNOPJUZQL-LJQANCHMSA-N 442.493 1.940 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2nnnc2-c2ccsc2)c1 1534106055 NGESHTIUWWCUOH-LTGZKZEYSA-N 445.530 1.853 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)o1 1535299402 HLUMUEREFZPWRR-MRXNPFEDSA-N 433.509 1.823 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1535345869 BFRJLVJZUYIAKQ-OAHLLOKOSA-N 430.910 1.599 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539022818 LMDOMTSQWNCPEL-OAHLLOKOSA-N 436.541 1.652 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC[S@@](=O)CC)c1 1539042188 CPCFIPXPTPSGEN-ZQHDKMAOSA-N 429.546 1.607 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1539085873 SJDLACGOLZIGQT-MHTWAQMVSA-N 431.581 1.963 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1539260641 SIALSMPUCCVZNW-IBGZPJMESA-N 436.491 1.326 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1539260959 WTBBBSXGPHHZAL-AWEZNQCLSA-N 443.410 1.680 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cccn1 1539315373 KMVPLRBCOJSZIK-UHFFFAOYSA-N 440.511 1.942 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1539489390 MRTHZDIFVCERRR-MOPGFXCFSA-N 446.621 1.428 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC(N)=O 1539793259 AXYJHJMPLTZWIJ-LBPRGKRZSA-N 425.946 1.691 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539894820 VUXXQKDAWXNAMN-SFHVURJKSA-N 430.553 1.298 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCN(C)C1 1540176943 ICZAPJBKOITLDB-QHCPKHFHSA-N 426.565 1.718 30 10 IDEE COc1ccc([C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)N2CCCCC2)cc1 1540426046 GRQHZISCYOUCLX-IBGZPJMESA-N 425.489 1.563 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1540874355 CXNCRAKORXVNBY-LJQANCHMSA-N 435.532 1.705 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC[C@H]1CCOC1 1546527914 VGEHEUCHMPBYJX-GOSISDBHSA-N 442.568 1.524 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1547745634 GBUFJSSVWHXDLV-UHFFFAOYSA-N 427.509 1.908 30 10 IDEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1560135755 BAASUFATMMGTKM-HNNXBMFYSA-N 427.929 1.657 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1584305722 FYFJHRUMLRHVPZ-CQSZACIVSA-N 437.497 1.457 30 10 IDEE COc1cc2nc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c(=O)n(C)c2cc1OC 1585917114 VNHCASADNCVKCA-KRWDZBQOSA-N 447.495 1.801 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1588064205 CVSMGAGMSRRWLF-FQEVSTJZSA-N 436.541 1.528 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1588065197 VUQRSSSXVZVMOK-SFHVURJKSA-N 442.545 1.180 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1588263258 UHPPQVZKNSWNQH-UHFFFAOYSA-N 442.497 1.069 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1588752424 SDWCTHUQDMKSBF-XLIONFOSSA-N 439.507 1.498 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCO[C@@H]2CCOC2)CC1 1588779776 CIFZMKQVIIFAHJ-GOSISDBHSA-N 430.940 1.944 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nnn(C)n2)CC1 1588780333 LWURDHCMIWKBBN-UHFFFAOYSA-N 432.319 1.579 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589514200 DUDJOKCELWVCOF-BQFCYCMXSA-N 436.582 1.919 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cscn2)CC1 1595501327 PZWPMIFOGLIVGE-UHFFFAOYSA-N 427.534 1.927 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595506834 NVVRELNXAOCJJN-BBRMVZONSA-N 444.923 1.624 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595516594 HTFQLFUQIDQJJD-JOCHJYFZSA-N 442.520 1.356 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)C1 1595682095 WQAGQYHVEABPCF-AUSIDOKSSA-N 449.596 1.822 30 10 IDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 1598329201 HHPJXBNVGAKCKI-ATLSCFEFSA-N 447.557 1.989 30 10 IDEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(C(F)(F)F)cc2)N1C 1616139492 XSWAIOAWCGLRKR-GGPKGHCWSA-N 436.478 1.608 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc[nH]n1 1616286082 WGKXZFAHCIFHPO-AVRDEDQJSA-N 446.479 1.723 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1617461880 PYNLIDIQNFVGNF-INIZCTEOSA-N 435.525 1.930 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1=O 1618456638 WOSAHMPDPKARCL-NRFANRHFSA-N 442.545 1.308 30 10 IDEE CCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)[C@@H](C)C#N 1618763801 HKZHTWALMKXMJE-INIZCTEOSA-N 447.561 1.770 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1620071142 DZYILEPFYHQSEP-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1620501370 CJSWIBADHGKIRX-HKUYNNGSSA-N 425.620 1.846 30 10 IDEE CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1623535881 XAXSPLGPGXTWIX-MRXNPFEDSA-N 438.525 1.491 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1623771506 UJIVXSOSINJINR-UKRRQHHQSA-N 434.378 1.917 30 10 IDEE C#C[C@H](CO)NC(=O)c1ccc(I)c(I)c1 1625165353 KTIFVDQOZSAHNG-MRVPVSSYSA-N 441.006 1.620 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1628661924 GHGGVJDCCWDGML-HKGQRJEGSA-N 446.507 1.853 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 1634876164 GNEHWNXEJPPKHL-GOSISDBHSA-N 426.344 1.947 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1636967227 ZZMBNBGUMVXQRR-LJQANCHMSA-N 442.903 1.861 30 10 IDEE COC(=O)C[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1638509933 DPSQGVSYAINUBB-BFYDXBDKSA-N 435.546 1.797 30 10 IDEE Cc1ccc(C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)cc1S(=O)(=O)NCC#N 1641535681 OFWWRDFTTJQNKD-UHFFFAOYSA-N 430.534 1.537 30 10 IDEE N#Cc1cccc([C@H](NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(F)(F)F)c1 1644267395 FVVYLESOHGGTBC-SFHVURJKSA-N 440.447 1.758 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2ccc(F)cc2O1 1644269147 ZJEYJDQXGZKZCI-SGTLLEGYSA-N 447.444 1.331 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 1645683384 NTMWPOOKFNTJLM-HTZUNMPGSA-N 432.546 1.254 30 10 IDEE N#C[C@]12CN(C(=O)[C@]3(F)CCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1648155949 SONRYVWOZNIYFI-DBVUQKKJSA-N 435.477 1.134 30 10 IDEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)NCc1ccccn1 1649087535 MESUDFQQQIFVTF-HXUWFJFHSA-N 430.486 1.323 30 10 IDEE C[C@H]1CN(c2ccncc2)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1652167925 WXWUPJCLZNYWOY-OXJNMPFZSA-N 432.484 1.896 30 10 IDEE CCOC(=O)c1c(NC(=O)NCCC(C)(C)S(C)(=O)=O)c(C#N)cn1CCOC 1660530075 IBAIEJSYDXAEFY-UHFFFAOYSA-N 428.511 1.518 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1670845577 RWWMFORBFVLSOM-ZDUSSCGKSA-N 448.339 1.796 30 10 IDEE C#CCN(C(=O)N[C@@H](COC)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1684848889 NSQCXXCGGAQZQK-HOTGVXAUSA-N 429.336 1.969 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689998791 WQLYTOPKCMZMCB-VAMGGRTRSA-N 449.621 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690142857 VICAXOBYBOWFLK-WMZOPIPTSA-N 425.537 1.317 30 10 IDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690157699 MWNTWCBNTTWQPH-VQIMIIECSA-N 442.607 1.384 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1690174796 KLUZEXWDRUOLFZ-CRAIPNDOSA-N 427.530 1.824 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1690265455 PIYLNCGPMWNASG-QGZVFWFLSA-N 447.561 1.495 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690328895 PPNZVKRXHKRFIA-SCLBCKFNSA-N 443.932 1.878 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)CC#N)CC1 1690869982 XZKCDYJWGNZROH-OAHLLOKOSA-N 430.582 1.536 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1691334627 BEDCLGFSWDBBDV-VNTMZGSJSA-N 446.596 1.772 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1696767996 HISVHESNYAFABN-OAQYLSRUSA-N 445.545 1.229 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1697781288 IGBJSZFDODQEEI-MANSERQUSA-N 447.536 1.908 30 10 IDEE COCCOc1cc(C)ccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1698184826 RLEKOQWQKPOOEG-GOSISDBHSA-N 435.488 1.846 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnn2)c1 1698293530 GTRQDLKLDCIQKC-LJQANCHMSA-N 444.496 1.472 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705571195 WPKIDARJLALHJB-APWZRJJASA-N 433.553 1.585 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1705579758 RMYWECXHLIMCHK-UHFFFAOYSA-N 437.548 1.021 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1cccn1 1705580309 HOEJKHXSYQQCKD-UHFFFAOYSA-N 436.545 1.598 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705598758 QDHFYYOJCGAFHQ-LEWJYISDSA-N 440.592 1.578 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1705599251 WUISVTOXNJHVHC-IBGZPJMESA-N 431.562 1.574 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(COC)cc2)CC1 1705648542 UGYKSGSTUHRKAF-OAQYLSRUSA-N 437.544 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(N(C)C)CCCC2)CC1 1705649324 SXXUDYUFWXRWQX-UHFFFAOYSA-N 438.580 1.519 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(N)=O)c1 1705676965 WDMKVTCIZFXMEV-HSZRJFAPSA-N 436.516 1.305 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1705906776 OLDQFTBXMZOBKW-WMZOPIPTSA-N 428.512 1.971 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)C1 1705924259 BLVAZAWNCZMISB-ROUUACIJSA-N 439.582 1.583 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCOC1 1706894916 CCBYBXALMNHLEF-DKKFBQAASA-N 444.561 1.668 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708535727 AGLHVLSEODOCMM-QQMHEVNUSA-N 443.552 1.623 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCN1CCOCC1 1709142245 VEQAVFSHRXIQCR-SFHVURJKSA-N 439.568 1.330 30 10 IDEE CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc1 1711328899 ZREBPTLVJKBKGS-SFHVURJKSA-N 433.472 1.738 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1712648664 ZNPMNUFEFBCCCM-MANSERQUSA-N 435.525 1.317 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1722320119 SVOAPJUYLAGLQJ-GOSISDBHSA-N 436.564 1.923 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2([S@@](C)=O)CCC2)CC1 1722439062 NIJGGIYAIYOGHJ-WJOKGBTCSA-N 441.601 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccccc2)CC1 1722447222 GNPKMKYUTKVZOY-IBGZPJMESA-N 436.516 1.274 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722691494 XDTJAQIIVUQYDZ-UHFFFAOYSA-N 444.511 1.163 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1722700656 OXZUFXOBEMDZOU-UHFFFAOYSA-N 442.527 1.764 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)C)CC1 1722751192 QXCWWQXSCDNZNP-UHFFFAOYSA-N 448.549 1.985 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCCC2(C)C)CCOC1 1723689194 GQLOAWRPRJLHCB-ZPMCFJSWSA-N 433.553 1.989 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOc1ccccc1 1723935139 MHNYLTFPNZWDLX-BEFAXECRSA-N 436.513 1.799 30 10 IDEE CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1726800891 WWKVZWUIIOYYSQ-NRFANRHFSA-N 426.525 1.171 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1727096569 WIPLMHZULAGHSF-XCLFUZPHSA-N 431.472 1.753 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCC[C@H]1C 1730763375 VPYIFZIKLYXRCB-QVKFZJNVSA-N 430.509 1.923 30 10 IDEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730926204 FGCVAQOVXQEFGV-OAQYLSRUSA-N 440.548 1.639 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)F 1730949972 VWZGNRJPPIPGEL-IYJAJMOOSA-N 426.468 1.513 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740566321 SERKHCBRFZUMLP-GOSISDBHSA-N 445.545 1.103 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1740589337 VVVRCQCUIUFFHQ-GOSISDBHSA-N 449.515 1.040 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1740671154 AHHAHGVKYABNRH-APWZRJJASA-N 447.561 1.172 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(Cl)c2)CC1 1740694368 HXNAOAYYFIRWNN-GOSISDBHSA-N 428.924 1.717 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=C)Cl)CC1 1740696015 JWHHCPYAMYXIHM-UHFFFAOYSA-N 426.956 1.960 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1740717424 RWNZHZAQSDMZAC-INIZCTEOSA-N 425.624 1.467 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740857264 IWHHEBMHRRMJFY-LJQANCHMSA-N 443.596 1.613 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1740968475 JHHDBWVQIQHHGM-RTBURBONSA-N 427.505 1.694 30 10 IDEE CC(=O)NCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1741101593 MTIUHGSKCFZAQY-MRXNPFEDSA-N 446.533 1.046 30 10 IDEE CC(C)(C)C(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1741152153 KVWUQEACKUORDZ-UHFFFAOYSA-N 436.564 1.986 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1742651350 NSDGNRQKLWPCBE-ZZEZOPTASA-N 426.525 1.915 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)O1 1744988197 CQRDHLAQHMTAJO-JLSDUUJJSA-N 437.504 1.809 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1747386662 SQGZQEFNRZMROE-UHFFFAOYSA-N 446.533 1.431 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1748266419 FAJZWJPRGRCNDL-UHFFFAOYSA-N 441.536 1.606 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1748809111 QGXRJKPYZJEDIV-OAHLLOKOSA-N 433.534 1.245 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749455039 QZHLNQJRTULKCS-LJQANCHMSA-N 427.553 1.876 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749666551 MUHCKVQIJVDZMO-OAHLLOKOSA-N 444.561 1.898 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1749669546 LSMILEDDMVBRBW-SJORKVTESA-N 428.512 1.938 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1749680871 ULPZGVBMVVLRQS-UHFFFAOYSA-N 432.569 1.782 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749721914 WKTYKFATMXFPSB-UHFFFAOYSA-N 445.545 1.735 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750044331 HHEFYPUGAWRPCG-IGGDJGDASA-N 432.525 1.560 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCN(C)C 1750752656 QEYZTSRZCMDMOU-UHFFFAOYSA-N 426.569 1.648 30 10 IDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1751922421 BLBSNMFNRFQDRB-UHFFFAOYSA-N 444.561 1.115 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCCC1 1760112091 AJFNHSDDUOSEGT-KRWDZBQOSA-N 436.564 1.956 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)c(F)c1 1760250086 CZACNQBYSZEJHE-UHFFFAOYSA-N 428.512 1.740 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760376699 AQQPGBLRTAMPDF-MRXNPFEDSA-N 429.956 1.806 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760410024 QVYNDLAVFICWPM-UHFFFAOYSA-N 438.540 1.221 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760445371 HVQNSEYCIBBPRE-GJZGRUSLSA-N 428.449 1.632 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1760495647 TUKSOQJIYQCKOU-SJORKVTESA-N 425.555 1.216 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1760522063 KYRXJTRYPJEINN-KSSFIOAISA-N 433.459 1.940 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(C2OCCO2)c1 1761463717 LLXHLNYMPWJBLN-HUUCEWRRSA-N 448.549 1.720 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)C1=O 1767504828 DXIUAOKPFIWBLK-NRFANRHFSA-N 442.545 1.308 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1768888276 DDFFZDVFPSUWGJ-OAHLLOKOSA-N 433.534 1.896 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCN2CC=CCC2)cc1 1770740995 RDQYLPPDCAEZGZ-UHFFFAOYSA-N 442.545 1.225 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1771039696 JLUFUCYNYJTDPR-LJQANCHMSA-N 446.577 1.408 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)NCC#CCN2CCc3ccccc3C2)cc1 1850087728 FYVFTWCGNPVQSI-UHFFFAOYSA-N 427.526 1.151 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)CN2Cc3ccccc3C2=O)cc1 1852104323 IPPQPAJRAYYDMU-OAQYLSRUSA-N 435.480 1.837 30 10 IDEE CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C1 1852773594 APJQAGSPMURKSD-AWEZNQCLSA-N 441.435 1.917 30 10 IDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854038108 OKUMBPCDFQCERR-AWEZNQCLSA-N 431.445 1.524 30 10 IDEE CN1CCN(C(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)CC1 1858661433 HCEJHSVQYDCHIV-UHFFFAOYSA-N 441.513 1.134 30 10 IDEE CN(C)CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858976918 BQPSHBBBFXJDBV-UHFFFAOYSA-N 443.529 1.080 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873561695 VZPIPGPOWPDSCJ-UHFFFAOYSA-N 446.559 1.727 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c(OC)c1 1874431208 NAMKDKULTGQJMX-UFFVCSGVSA-N 434.522 1.471 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)CC1 1889620642 NEECGTKFUAKEMJ-UHFFFAOYSA-N 430.574 1.369 30 10 IDEE N#Cc1ccnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)c1 1889759970 FSJRALYEIXFOKD-MRXNPFEDSA-N 426.454 1.449 30 10 IDEE N#Cc1cc(Br)cn(C[C@H](O)CCCN2C(=O)c3ccccc3C2=O)c1=O 2213747902 FERUYUCHAHVBCD-CQSZACIVSA-N 430.258 1.920 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)n1 2243388874 OOYOKLYEGDKOKB-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE CC(C)(C)OC(=O)NC1CC(C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248419698 GEJFWDPDWZNJFH-UHFFFAOYSA-N 438.359 1.891 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255821904 HTWNYWSILUFWPM-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)n1 2255831951 FJMHABSIEBTAKS-UHFFFAOYSA-N 434.346 1.894 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256664144 YTWKWAFBCVITMO-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2259927283 WOPIUNREDWNMJS-ZSEKCTLFSA-N 432.330 1.696 30 10 IDEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCOC1 2272552495 JUWJFXPDALWSFG-OAHLLOKOSA-N 448.329 1.740 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2327829832 DXJINNKUYDOGTK-CYBMUJFWSA-N 445.505 1.760 30 10 IDEE Cn1nc(Br)c(Br)c1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367736912 RVDIIONTNMXQJW-QMMMGPOBSA-N 426.130 1.949 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1 15244015 KFHSVMWDBOIMIG-UHFFFAOYSA-N 437.499 1.745 30 10 IDEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccncc1 20835679 CLGNKXDXHXFBFN-SSDVNMTOSA-N 446.518 1.414 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 23266159 PMXGXWSVMOMWAQ-HSZRJFAPSA-N 430.549 1.191 30 10 IDEE C[C@@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 28645203 KBZLYBQUXSHMFV-WSKFYRRCSA-N 428.470 1.089 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)CC1 33497387 QOCQLCOCZMNSMA-VURMDHGXSA-N 425.466 1.833 30 10 IDEE Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 33923284 XJECPOXGOVEQQF-ZRWQFTNJSA-N 448.483 1.320 30 10 IDEE CCOc1cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc([N+](=O)[O-])c1OCC 169883587 VZCMHNSBJAAVPC-NVMNQCDNSA-N 437.434 1.532 30 10 IDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)CC2 467832821 VBMVLEDLNLNSMU-OAHLLOKOSA-N 425.455 1.983 30 10 IDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 468329704 NEHTVYGQUDDJFD-UHFFFAOYSA-N 442.541 1.931 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)CC1 474514259 IVBCTJLDOPANFJ-FGZHOGPDSA-N 443.592 1.295 30 10 IDEE COCCN1CCC[C@H]1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 477135587 RBRSQZCJPCQWTL-SFHVURJKSA-N 425.537 1.669 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)n1 479366932 NLQGKWROIIUNCX-UHFFFAOYSA-N 446.532 1.737 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 489236770 LUKFIGUFLGZHCG-HNAYVOBHSA-N 431.555 1.147 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N=c3cc(C)n4[nH]c(C(F)(F)F)nc4n3)cc2C1=O 497840109 WRWKYXMYJDQBET-UHFFFAOYSA-N 430.346 1.908 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508487606 GOIFUVIQKZYZSY-MRXNPFEDSA-N 425.493 1.187 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C#N)c3ccc(F)cc3)CC2)cc1 511599027 RFXWWJQOCGSVCX-FQEVSTJZSA-N 430.505 1.822 30 10 IDEE CCOC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 513539222 DGILQVOOOVOTMP-IBGZPJMESA-N 434.452 1.985 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C1CC1 517988899 SRCUPYSYOCTSLJ-UHFFFAOYSA-N 441.553 1.526 30 10 IDEE CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 534648330 SIKZIZGUXIQQCO-KRWDZBQOSA-N 449.504 1.564 30 10 IDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 542932379 RQTWNNPOLBAOBK-UHFFFAOYSA-N 440.521 1.744 30 10 IDEE C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 543875967 NHWZGTKJFBPURX-YFPAYBLXSA-N 439.859 1.887 30 10 IDEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 553571313 HMUCWSGZQDLPKN-ZDUSSCGKSA-N 425.919 1.953 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)C[C@@H](C)O1 554972788 PJCROCYCOWYIOV-HZPDHXFCSA-N 443.529 1.162 30 10 IDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 581077952 SJVRTWMCKHQSBF-UHFFFAOYSA-N 425.449 1.950 30 10 IDEE Cc1nsc(N2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)c1C#N 584751911 MVHIVRIWLVJFCT-UHFFFAOYSA-N 430.534 1.569 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1 589819727 CHGUXCIZINNVIX-UHFFFAOYSA-N 438.484 1.863 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCN2C1=O 610776444 CUIWDTRPRXYWGV-QGZVFWFLSA-N 448.439 1.179 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 641928802 YSDVZQZQQLPUSV-HZPDHXFCSA-N 432.498 1.277 30 10 IDEE N#C[C@H]1CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCN1C1CC1 732651515 BMFKPRXSRTVVDB-INIZCTEOSA-N 426.336 1.563 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 733890568 FXGRDNBFYHOTQD-CZIZESTLSA-N 442.501 1.359 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccc(C)cc1 735068880 HHRKYNBVPLDSTL-UHFFFAOYSA-N 435.553 1.843 30 10 IDEE COC(=O)[C@@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1cccc(C#N)c1 751656119 IFPOASRWBAWKMA-RTWAWAEBSA-N 447.447 1.791 30 10 IDEE C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 751725322 UUNZTKLCYIMSBI-NSHDSACASA-N 438.893 1.984 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 752195680 ZOQINTWTOWFVLD-CQSZACIVSA-N 444.582 1.233 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCS(=O)(=O)C(C)(C)C3)nc12 756884022 BOQYGDKKWJODMY-UHFFFAOYSA-N 433.559 1.833 30 10 IDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 757386288 IAZBXLCVQFPKHX-VTEUUUEMSA-N 432.502 1.251 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)cc1 758575926 CFTAFWLBXGCPGJ-INIZCTEOSA-N 445.500 1.925 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 765693978 ARSFHDZFOQAMMN-GOEBONIOSA-N 436.534 1.741 30 10 IDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 770276137 URSAHJWGPPQGBN-UKRRQHHQSA-N 441.481 1.958 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1=O 771414249 YXUUXZAMABBWGQ-JPYJTQIMSA-N 441.532 1.463 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](CO)c1cccc(Br)c1)c1cc[nH]n1 772517264 HKYHNJBJVNRWLK-AWEZNQCLSA-N 439.266 1.306 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cncc3ccccc23)c1=O 772898675 PMPCYRLXLZKQFH-UHFFFAOYSA-N 436.537 1.524 30 10 IDEE Cc1cc(C)c(N2CC[C@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)c(C)c1 788786472 ISYPOFIFQDSGGA-MXLIYFDZSA-N 425.489 1.543 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790361621 XEPIBEFMXWITMU-UHFFFAOYSA-N 443.532 1.291 30 10 IDEE CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790739059 XBKSAEPFFVKJNP-CQSZACIVSA-N 425.580 1.272 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)OCc1ccc(C#N)c(F)c1 791310859 XVZOQZUEYFEUIM-GOSISDBHSA-N 448.472 1.982 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 809920760 CCDLYSKXGLKYLJ-IRXDYDNUSA-N 434.541 1.293 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 813477940 RMIPURQZOZIMHL-LSDHHAIUSA-N 446.508 1.232 30 10 IDEE COCc1cnc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])s1 814687261 FAYUTRIGFQCPCD-UHFFFAOYSA-N 441.491 1.665 30 10 IDEE CCOC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1)C(C)=O 1084433652 OAVKEHHRQONICT-UHFFFAOYSA-N 425.492 1.821 30 10 IDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1C 1131762729 CADXALXHTQFZHK-UHFFFAOYSA-N 430.534 1.301 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)C1=O 1132102354 ZNZKIUUAHBUPAA-UHFFFAOYSA-N 428.445 1.373 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cnc(N3CCOCC3)s2)s1 1156127356 CEXQXDSGMFWXRR-UHFFFAOYSA-N 442.588 1.364 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(F)(F)F 1161775193 TTZTZIXOAIXVAL-ZIAGYGMSSA-N 433.408 1.037 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1165508923 YXYGNSWEWWSEFC-QXMHVHEDSA-N 441.528 1.704 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(C(=O)N3CCCC3)cc2)c1=O 1166614798 MWRRWVJPSGAZAS-UHFFFAOYSA-N 438.484 1.508 30 10 IDEE Cc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1S(=O)(=O)N1CCOCC1 1179869628 DJZKEXFXPGLUCH-UHFFFAOYSA-N 446.554 1.730 30 10 IDEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1227924871 RIXJUWRUEHFFBX-BATSVXPKSA-N 434.514 1.397 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCN4CCSC[C@@H]34)CC2)cc1 1248686028 OMOWVPQNCLCTLO-OALUTQOASA-N 449.602 1.154 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1286432833 ZJPVLKLLIXQLHS-DQRAZIAOSA-N 446.515 1.129 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCOCC2)CC1 1286478628 HJZMGNXQMHGENK-UHFFFAOYSA-N 426.540 1.486 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286627184 AQQWUSLRJAUCRW-LBPRGKRZSA-N 427.914 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286784876 WTCKXKGPEDJMDA-LJQANCHMSA-N 432.488 1.221 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1286793511 HAHODFSTEVAICU-GOSISDBHSA-N 432.569 1.907 30 10 IDEE Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cnn1CC(C)C 1289228046 FBQNQICUSPNRIG-HUUCEWRRSA-N 436.586 1.836 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(=O)OC(C)(C)C 1290936592 NGKJFDSLDDFYCU-UHFFFAOYSA-N 436.490 1.811 30 10 IDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298332575 PMGAPOBCDIRSKX-QOCHGBHMSA-N 449.515 1.807 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1298950484 QKKDMHBIOSIHHE-CALCHBBNSA-N 426.477 1.062 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1COCCO1 1300299288 NLSILFQODOFWJE-HOTGVXAUSA-N 432.550 1.502 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1300308356 BJNMFYPFDIAJFJ-HRCADAONSA-N 427.596 1.212 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300500715 CJZISNJBUFUYAU-NQIIRXRSSA-N 436.578 1.443 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300502042 PSOHSWDLTKKHAW-KRWDZBQOSA-N 449.602 1.426 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OC 1300516589 QGUIQUOJQHXQMQ-UHFFFAOYSA-N 435.509 1.873 30 10 IDEE COc1ccc(CC(=O)NCCC#C[Si](C)(C)C)cc1S(=O)(=O)N1CCOCC1 1300588379 JRDOYPFCZVBKQW-UHFFFAOYSA-N 438.622 1.646 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1300701353 PNRDEFKITBAPMM-CTNGQTDRSA-N 427.524 1.815 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1300715744 CIAHBNRABYBDIH-QFIPXVFZSA-N 436.560 1.626 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2COCCO2)CC1 1300718871 HETSCMKAZFABQZ-QGZVFWFLSA-N 443.935 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2CCOC2)CC1 1300728635 CHGXITYSKUSPFR-LJQANCHMSA-N 439.564 1.532 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1300789757 XJMRTWVRDQREFP-NJNPRVFISA-N 444.557 1.881 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300892623 UTSJNTMKCOFVTJ-ONTIZHBOSA-N 440.548 1.586 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)CC1 1301105240 FVAAVLYVSPWUEL-AWEZNQCLSA-N 426.587 1.453 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCC2(CC1)OCCO2 1301478444 KTEPOQXLPJKJIS-UHFFFAOYSA-N 448.568 1.621 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1301493211 WLVMXLLLKGBERA-UHFFFAOYSA-N 434.504 1.257 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)C1 1301539248 PFILQRRQJSYIIS-ZFWWWQNUSA-N 440.957 1.766 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1303639933 HHOSKFDWMQIFMQ-HOTGVXAUSA-N 436.582 1.758 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1309447776 LWWZBZNSCAXGPT-WCIQWLHISA-N 438.546 1.923 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 1312487120 VOFIOALTOPWCHF-WQASXFKFSA-N 440.500 1.854 30 10 IDEE CCO[C@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1314086227 ZGDTVUZATFGRRS-AUUYWEPGSA-N 435.506 1.066 30 10 IDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)CC1 1316535775 ZVIDGMYNXNMYBS-LJQANCHMSA-N 429.569 1.377 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1358885845 SEIXFRDRIAJKMQ-IAGOWNOFSA-N 435.532 1.371 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358888519 NVRSOBLCCHLVLT-MANSERQUSA-N 435.594 1.834 30 10 IDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1358906321 CZQMDMJALAEURK-KRWDZBQOSA-N 444.561 1.311 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOC2=O)cc1 1359022660 IFUGCZKDHWSFJG-UHFFFAOYSA-N 435.488 1.770 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC2CC2)CC1 1359037097 VPBHUJPSSCLPKS-UHFFFAOYSA-N 428.487 1.429 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1359060714 GBVRUXOXKFQPEO-LJQANCHMSA-N 427.530 1.947 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCCCO)C1CC1 1359083284 GTTJGXHJEGCZLP-ZDUSSCGKSA-N 433.372 1.830 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359183562 NWKYQLCLCAUKON-ZIAGYGMSSA-N 433.600 1.114 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1359300621 GTJPCCCLPWAEIN-HOCLYGCPSA-N 433.534 1.385 30 10 IDEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1360793267 CGTDVZOXAARSEQ-QFIPXVFZSA-N 433.520 1.913 30 10 IDEE C#CCN1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 1444337334 ISFZQBDVMJEXDU-UHFFFAOYSA-N 445.589 1.407 30 10 IDEE CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1445894028 RBEQEYOFXWYKJB-HNNXBMFYSA-N 447.488 1.805 30 10 IDEE C#C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1452474353 HILPRIUBFNMQIJ-ROUUACIJSA-N 431.558 1.942 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)CC1 1469372195 GBBPOJOIHREPJV-UHFFFAOYSA-N 426.970 1.704 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C[C@H]1CS(=O)(=O)C2 1469435034 MZCZVRAVJUKOOU-VNBZBWLYSA-N 440.884 1.164 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1nc(C#N)cs1 1472147041 WELPOUWJWLMOLI-AWEZNQCLSA-N 440.934 1.518 30 10 IDEE N#CCc1ccc(OC[C@@H](O)CN2CCn3ncc(I)c3C2)cc1 1473823517 JDUSVCVBANIRCE-AWEZNQCLSA-N 438.269 1.809 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cs1 1492681830 IEMLMZIJQPDAJL-CVEARBPZSA-N 436.563 1.330 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1503283063 CHPWFHVATYAOBA-LJQANCHMSA-N 436.513 1.259 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1507537977 JYSOCDSEIAGKKQ-CABCVRRESA-N 427.596 1.355 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1507633334 RTSWATJXSNKACJ-CVEARBPZSA-N 433.559 1.274 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC[S@](=O)CC)CC1 1507731757 CGSJKFLFAHCXIC-SSEXGKCCSA-N 429.590 1.943 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCCC 1507773769 WHPYUBPFPITVTB-YLJYHZDGSA-N 439.582 1.420 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1507807483 NJLILHKDBXNPCD-QWFCFKBJSA-N 432.569 1.369 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507868223 FVUDMBTYTCJLBN-INIZCTEOSA-N 447.952 1.526 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1507868253 GVCHWJTUWMKEQW-CQSZACIVSA-N 435.978 1.615 30 10 IDEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1516978741 DEFRFVPZNMZSDX-FQEVSTJZSA-N 437.548 1.628 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1519014267 IFLUFZMMSIZLMP-YGKKUGEXSA-N 430.509 1.519 30 10 IDEE N#CC1CCN(c2nnc(CCOc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1521122045 RWJUTEMUPCYNBH-SFHVURJKSA-N 437.504 1.628 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)C1=O 1527209481 FARDYFJHRCODMG-HOTGVXAUSA-N 427.457 1.650 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539076278 OXJXIPYRQRJDNG-UHFFFAOYSA-N 430.578 1.976 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539102044 QUIXPJKMPSWWDE-QGZVFWFLSA-N 442.545 1.318 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539212380 VQRKDUWKUBUJQE-LDLUVENISA-N 446.598 1.873 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1539306139 DDGCFMFOZIWKBY-JGCGQSQUSA-N 448.556 1.685 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1539369941 QBZGVQLLQBTUMY-QHCPKHFHSA-N 446.596 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(C)CN(C)C2=O)CC1 1539484575 VEJHIGVZIMCKEY-QFIPXVFZSA-N 440.573 1.375 30 10 IDEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NCCOC)CC1 1539575042 VPAMCGBMGUGBAO-CQSZACIVSA-N 443.390 1.585 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1540862845 KNMWZWBSNDDHEK-AWEZNQCLSA-N 440.483 1.780 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SCC)C1 1540871595 PEHBQTFDEHIBEO-CVEARBPZSA-N 441.623 1.594 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1540916848 ICZGVDKIRGCXAH-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OCC 1544345202 QPEMSOAVCGHHNY-CQSZACIVSA-N 436.939 1.907 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1552382971 PRWOXMRGNNNSJE-UHFFFAOYSA-N 447.565 1.107 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1555686314 MUHTWOPPBJMWAU-RBUKOAKNSA-N 427.505 1.974 30 10 IDEE CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C[C@H]1OC 1555791527 UQKCGIVIOOLEGJ-IYBDPMFKSA-N 442.501 1.633 30 10 IDEE C[C@@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1557434925 WOCMAEKOSJAOAO-CQDKDKBSSA-N 438.385 1.913 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1561866568 MTYLNXXODGYDKQ-RBUKOAKNSA-N 436.530 1.202 30 10 IDEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1561926028 DGQTXWUQEHQMPP-HXUWFJFHSA-N 426.542 1.530 30 10 IDEE C#CCONC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1584287630 VUWBPNLPTONAIV-WBMJQRKESA-N 429.926 1.416 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1588045798 QZEBQLBLVVVTFY-IBGZPJMESA-N 442.589 1.843 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588051141 ZWEFESQORDEYHC-LLGFUMIMSA-N 444.561 1.710 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588053672 HBGDYTRZFULMBJ-ZWKOTPCHSA-N 437.610 1.387 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1588064869 QKLNXJCEHFEZFF-VQTJNVASSA-N 449.621 1.214 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCOCC1 1588124447 MKKXQTBEKZLFTC-UHFFFAOYSA-N 443.511 1.453 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOCC)CC1 1589481623 BEFFLTMQOYACDZ-MOPGFXCFSA-N 434.585 1.556 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1595303769 ZCXOGQRWDXXDBC-HNNXBMFYSA-N 443.570 1.344 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1595603122 YKLHNIYVZJGXCT-RTBURBONSA-N 431.585 1.037 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)o1 1610946544 VWCYSNNJNIORNZ-SFHVURJKSA-N 433.486 1.832 30 10 IDEE CCN1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1615864731 DMOHHQDOTGTECG-BSBNDGSWSA-N 427.553 1.993 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)F)CC2)o1 1620350799 MDTPGAYJNZPFPJ-CYBMUJFWSA-N 440.476 1.080 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c1 1624304090 QVMWQNKIZHLSKZ-QRVBRYPASA-N 430.530 1.722 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)c1 1626206033 LZOPBPVBZGJXSW-UHFFFAOYSA-N 426.498 1.964 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCC[C@H]3C(=O)NCC(F)F)C2=O)cc1 1627778755 ZQSXOOGVMHYCAJ-HOTGVXAUSA-N 447.442 1.526 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 1634855106 FOFVJPSSRYITNB-LJQANCHMSA-N 440.525 1.186 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 1635679563 FRADBFPAUXWRAG-DOTOQJQBSA-N 429.868 1.063 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC3(C(=O)OC(C)(C)C)CCOCC3)CC2)c1C#N 1636395529 IYKLMVTZWMZHJS-UHFFFAOYSA-N 446.552 1.570 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1641843819 WGIBWUJNBOBRJE-ROUUACIJSA-N 442.541 1.877 30 10 IDEE CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1642252045 QSANLDAMWQGPBB-KRWDZBQOSA-N 448.589 1.607 30 10 IDEE COC(=O)[C@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 1644069862 KUWQPIKMJNLYRW-GHTZIAJQSA-N 431.493 1.265 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)OC 1645502637 GPQGELCVMLTGBI-NXOAAHMSSA-N 428.551 1.110 30 10 IDEE C#CCN1CCC(NC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1652173009 LSSJEIAOOIAYJW-PZJWPPBQSA-N 433.574 1.148 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@](C#N)(c2ccccn2)C1 1655280803 OOYZBCSFSIDRLA-KSFYIVLOSA-N 439.541 1.564 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)CC1 1671882094 GMQYYQOZXRIYCW-UHFFFAOYSA-N 438.463 1.657 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)nc(CC)n3C2CC2)CC1 1681984663 PKSYAKPYYMMQOK-UHFFFAOYSA-N 444.561 1.228 30 10 IDEE C=CCn1cc(CNC(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)nn1 1683256345 XBDSKSIFMKSLEA-UHFFFAOYSA-N 432.550 1.726 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1689955925 YTTIZHAUNPBNAF-XUTLUUPISA-N 436.472 1.558 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1690001542 MALFBIMIBRSGMY-AOCRQIFASA-N 435.594 1.945 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1690020970 CJOUQAPKIZWGBM-UHFFFAOYSA-N 427.455 1.469 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2CCCC)CC1 1690110350 ILHQLNPSSPRFAG-FQEVSTJZSA-N 429.613 1.826 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccco2)N(C)C)CC1 1690130834 NTJHQUGPDPJHEI-GOSISDBHSA-N 425.537 1.052 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCS(C)(=O)=O)CC1 1690132551 SLVUJZZDNRYKDK-UHFFFAOYSA-N 431.562 1.355 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1690327021 IDTUBOLRYMUJMN-UHFFFAOYSA-N 430.900 1.672 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 1690661021 SRKOYBYCSIYPDX-WMZOPIPTSA-N 446.577 1.260 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)C1 1690696389 BCUJZRJVKGNJPH-CVEARBPZSA-N 437.566 1.368 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690723936 DVCASFZISCPKBZ-UWVAXJGDSA-N 440.566 1.505 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1692567181 SFIJOIUVGGSHNS-SFHVURJKSA-N 438.536 1.290 30 10 IDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1694723707 VPFNVIRWEFKFLT-KRWDZBQOSA-N 436.520 1.417 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(COC)CCOCC2)CCOC1 1696052280 FQDVDZCFXPNCMI-RTWAWAEBSA-N 437.516 1.815 30 10 IDEE CN(C)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1696581454 LOXMXNUNPSAXFV-GOSISDBHSA-N 438.536 1.244 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC(=O)N2)CCO1 1698492513 CVYIRZTYZIPTNW-OLZOCXBDSA-N 431.294 1.715 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)nc1 1705477433 ODGLLXLMGBWBCG-MSOLQXFVSA-N 428.537 1.740 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705533554 YKPANXFJLFJWFY-JXFKEZNVSA-N 432.550 1.079 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705564324 BRJYSQYNNKSQJV-RBUKOAKNSA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705566952 SATUWYQAEVFRTB-UYAOXDASSA-N 442.589 1.615 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1705620861 JIBNPLGDNCOXBM-MRXNPFEDSA-N 436.557 1.758 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1705725838 UUUGKQUBSZIYDZ-INIZCTEOSA-N 440.957 1.872 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1705838468 QFXWMAWILPSGST-INIZCTEOSA-N 437.508 1.038 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br)C1CC1 1705853808 FCUDEIBJONQFEN-CQSZACIVSA-N 446.371 1.674 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1705898995 FJWCOFNIAUESTL-UHFFFAOYSA-N 427.484 1.380 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)C1 1705924114 AZQQGJRKONKDFZ-IPMKNSEASA-N 437.610 1.693 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1706936775 ALCLYENGIKCREL-IRXDYDNUSA-N 436.582 1.584 30 10 IDEE Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707886499 VWBAAYMXCYVUOS-ISLYRVAYSA-N 430.900 1.804 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1710326966 HLRXOCDBSLHHMG-IERDGZPVSA-N 425.468 1.469 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@H](CC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1710455422 PMOWYHGOGRONLW-AKXBSKNESA-N 444.536 1.693 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1711201018 UQUSZZMTGRCZJM-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(N2CCOCC2)CCSC1 1712663873 KLHXNVYLYTVSQX-OAQYLSRUSA-N 444.561 1.934 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCC[C@@H]1C 1722428409 YUXAWRVBGFSNPB-HRAATJIYSA-N 431.562 1.907 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722447284 HFFOSDOHQCNXFQ-ICSRJNTNSA-N 442.564 1.006 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722535263 CXXDTFMOYAWBRL-GOSISDBHSA-N 432.569 1.686 30 10 IDEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(=O)NC)CC1 1722561023 MNVCQQNHWMAHBW-UHFFFAOYSA-N 431.566 1.839 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722607903 NBGSFRYDKDLBDI-UHFFFAOYSA-N 433.538 1.363 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722698770 LZEXXXLFYYFSLS-OWCLPIDISA-N 439.582 1.122 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)C1 1722717624 CQBLKRHVAVXXKU-HOCLYGCPSA-N 437.522 1.144 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722725010 BYXKUOUILWYPMF-LSDHHAIUSA-N 443.595 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722728028 NBWRLWQDLOFIBX-QGZVFWFLSA-N 425.599 1.771 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1722730198 LDDAFACNYIXVMG-IBGZPJMESA-N 445.545 1.804 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@H](C(=O)OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1728805658 YINCNQNBPFEGBR-BTYIYWSLSA-N 429.477 1.833 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1729557223 WJTNFNKJCRHHRC-INIZCTEOSA-N 430.534 1.212 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740586247 UHBUQLMJMXNPMN-UHFFFAOYSA-N 434.566 1.563 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1740625803 PVGQNYCLSWQITJ-IBGZPJMESA-N 429.546 1.483 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1740671668 MAAWPTZYIWZNAU-KRWDZBQOSA-N 425.518 1.269 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1740888846 JJJUIDVZNLIFAS-IAGOWNOFSA-N 426.587 1.156 30 10 IDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCOC1 1740941922 WXHOLLVGVIFQQO-QFIPXVFZSA-N 443.552 1.242 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740990376 SNFCPXWVWIWDOI-FTRWYGJKSA-N 448.549 1.109 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(c2cnn(C)c2)CC1 1740990581 WBTHEDGQBWXXCR-UHFFFAOYSA-N 429.550 1.992 30 10 IDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C2CCC2)CC1 1741989552 MSZCMLBWONJUTC-UHFFFAOYSA-N 427.553 1.837 30 10 IDEE CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1745929062 YHLUQXATRFWOBS-ZPHPHTNESA-N 436.476 1.441 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1748706948 WBVFSVPAFKFISV-YLJYHZDGSA-N 436.520 1.964 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1748758140 SXFSSKOBPRIJHG-UHFFFAOYSA-N 429.546 1.854 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)CC 1748889477 LIUWUXIJKMZRHC-UHFFFAOYSA-N 429.502 1.076 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCO[C@H]2C)CC1 1748979363 YALXGFKXLUYJRZ-IFXJQAMLSA-N 449.353 1.331 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCS(C)(=O)=O)CC1 1748994343 YRWSJJRDNMEOCJ-UHFFFAOYSA-N 440.573 1.540 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCS(C)(=O)=O)CC1 1749000272 QKTCHKMSYDPHJH-UHFFFAOYSA-N 447.561 1.056 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1749255606 DLTAZEGGWBEFBS-UHFFFAOYSA-N 439.925 1.990 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCN(C)C1 1749532236 VIDOAZOHUYAXMV-QHCPKHFHSA-N 430.516 1.866 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)OC 1749537213 CDIQWFWPTRRLPV-HKUYNNGSSA-N 449.577 1.839 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1749577445 MZLZREBXCNBXOA-GCJKJVERSA-N 440.504 1.059 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760147031 DYQWTNMTKUUDTD-OAHLLOKOSA-N 438.575 1.631 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1760187170 ILLLQXWDORPWFY-IRXDYDNUSA-N 426.608 1.942 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cc(CO)nn1 1760200334 DIAVMTJIRGUBOL-UHFFFAOYSA-N 441.499 1.378 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1760233506 BBMNEPJYOLBXRU-MBSDFSHPSA-N 446.596 1.919 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1760235812 YGLWWRPZRXFHDE-IBGZPJMESA-N 447.561 1.458 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1760427900 KYQSRUOPDDELGM-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760449803 VLJMJLNKHBAYBX-MRXNPFEDSA-N 428.493 1.377 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1)C1CC1 1760470342 OHCCKZHZTCHIEX-CYBMUJFWSA-N 433.538 1.445 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccnn2)CC1 1760518511 WHEFSUGBVMFXPW-UHFFFAOYSA-N 439.911 1.412 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760560835 GXLCPZPFOCGRTB-CALCHBBNSA-N 436.559 1.829 30 10 IDEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760764888 NYYXJEXTSPTAIX-SFHVURJKSA-N 435.532 1.790 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1764690497 BBWHGDWTKCKVPA-QGZVFWFLSA-N 430.534 1.167 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1768452426 FILRLAJBZZCQFS-UHFFFAOYSA-N 437.548 1.454 30 10 IDEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1768712290 DFLRYPRWEYUTBQ-HXUWFJFHSA-N 427.486 1.596 30 10 IDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 1768917457 GMQDCDKLAQRRDW-ZWKOTPCHSA-N 427.484 1.229 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN2CCCCC2)cc1 1850124888 JAECJCKYOXDJAL-OAQYLSRUSA-N 433.574 1.844 30 10 IDEE O=C(C1CN(c2ncc(Cl)cn2)C1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852060298 ABYGXVKZKCXZGR-UHFFFAOYSA-N 425.820 1.827 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)cc2)CC1 1852468752 QABGQVBBORZDAJ-FQEVSTJZSA-N 449.467 1.235 30 10 IDEE C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854487461 JAEXJXABROOKAJ-AWEZNQCLSA-N 439.921 1.944 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1854499590 GUNLDYYQGCGBIH-MRXNPFEDSA-N 436.578 1.476 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)C1=O 1854519025 NRBNGOXCMHMWJB-MAUKXSAKSA-N 432.546 1.147 30 10 IDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)C1(C)C 1856395868 UYXVVIAQNXFEAF-UHFFFAOYSA-N 425.576 1.784 30 10 IDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)[C@H]1C 1856881664 MPWMMFIINAOGTJ-OAHLLOKOSA-N 427.482 1.558 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322792 UWEFWFXJSQUYQC-CYBMUJFWSA-N 438.406 1.807 30 10 IDEE C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869930373 YWROLJHIWCJNFT-MDZRGWNJSA-N 427.526 1.972 30 10 IDEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1870144158 QFBOAYYBAIVTND-UHFFFAOYSA-N 429.440 1.830 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1CCC(O)CC1 1870640886 DMZBFKWGPRIAIP-UHFFFAOYSA-N 441.528 1.695 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc2c(c1)OCCO2 1874430998 HRHCMVXSFVNDDB-SSDVNMTOSA-N 446.533 1.528 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1993341236 CQFQDSAHPPWIFL-HUUCEWRRSA-N 426.514 1.624 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2020787855 ZUDQBPBIHNOMJE-BTYIYWSLSA-N 438.525 1.720 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2136337104 AZQZKXKSODLNQF-ULQDDVLXSA-N 448.325 1.265 30 10 IDEE C=C(CNC(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1)B1OC(C)(C)C(C)(C)O1 2254014342 PRRLUWMBPYVSPB-PMPSAXMXSA-N 438.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705993 CCUHQWQCDSVLKY-JKSUJKDBSA-N 435.330 1.414 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822725 OTYQNMKUNQPPMP-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)n1 2267140234 OUZNSSBRPRVIDK-SNVBAGLBSA-N 447.305 1.665 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](CO)C1 2267287832 YEDYBZFOJDFZCI-GOEBONIOSA-N 449.357 1.662 30 10 IDEE CC(C)(C)OC(=O)NCc1ncc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)cn1 2267515359 NCFMJHKHNBRROE-UHFFFAOYSA-N 444.301 1.776 30 10 IDEE C#CC[C@H](CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2286042168 TZVGQOHTHSSHQD-MOPGFXCFSA-N 436.530 1.766 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)C1CC2(C1)OCCO2 2295335889 OTSKVGPRNMQBRG-UHFFFAOYSA-N 425.312 1.642 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1C[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2303326129 RYPGPNXBXFDZCN-YNEHKIRRSA-N 425.345 1.981 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C 2312652585 JSPLRHGNUVPSPS-XQQFMLRXSA-N 443.360 1.464 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)NN=C(C)c2ccc(NS(C)(=O)=O)cc2)c1 254794711 JPCAHHSSQOICNW-UHFFFAOYSA-N 427.504 1.778 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)c1C#N 435307050 PGPSNWJCAZDDIF-LBPRGKRZSA-N 427.534 1.469 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC 441222126 AWBWZOXAOMFXKW-OJXKADHTSA-N 443.500 1.755 30 10 IDEE C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 442306545 OQFLAEJJTSSEHZ-GOSISDBHSA-N 435.546 1.344 30 10 IDEE CC(C)CN1CC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 465017210 XKTOPVDCJYYNDE-GOSISDBHSA-N 433.578 1.552 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3cccnc3C#N)cc2)C[C@@H](C)O1 477056680 LDQPZFMKUNCNEK-HUUCEWRRSA-N 430.486 1.769 30 10 IDEE Cn1c(O)ncc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1=O 503270015 QHHXSWSKXUXJMA-HNNXBMFYSA-N 432.278 1.271 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC=C)CC1 508749141 VDXVPRDOUAODOE-UHFFFAOYSA-N 426.521 1.573 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H](C#N)c3ccc(F)cc3)CC2)c1 508830419 WMBLBHRPLIKGRI-HXUWFJFHSA-N 430.505 1.967 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546875731 IFIHBMXGMQFSSN-UHFFFAOYSA-N 427.530 1.946 30 10 IDEE CNC(=O)CCOC1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 553615272 HYRMWXLWPSKIGT-SFHVURJKSA-N 433.578 1.074 30 10 IDEE CCOc1cccc(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 561834039 QZCSPTKJHLFLII-NRFANRHFSA-N 434.496 1.927 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 604308822 SIJQVKVEIRZWPR-DENIHFKCSA-N 428.533 1.051 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(OC)c(OC)cc2Br)CC1 605411178 OWHGRMZICGIBEJ-UHFFFAOYSA-N 441.326 1.918 30 10 IDEE C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O 605697881 RQWDYYLBGRAYPM-ZPOLXVRWSA-N 438.498 1.593 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 609522201 ZOSDTIYESLEKMU-PKOBYXMFSA-N 435.546 1.064 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(F)cc1C#CCCO 703991307 SRHLMFMBMIEGIQ-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccnc(C)n2)cn1 730143449 BQRYSTPNUHWOTH-KRWDZBQOSA-N 444.565 1.201 30 10 IDEE C#CCN(CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 731212609 GOIQKLKXLWVLDA-AWEZNQCLSA-N 440.543 1.497 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1C 732561064 FCDXTCVVIJYXFA-UHFFFAOYSA-N 435.553 1.843 30 10 IDEE N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCN1C1CC1 732651057 SBRYXROYNPYZCL-NRFANRHFSA-N 442.585 1.775 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(O)nc3ccc(Br)cc23)CC1 737841231 BDODAZCLGQXHAY-UHFFFAOYSA-N 445.317 1.600 30 10 IDEE C[C@H](CC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1)/N=C1/NS(=O)(=O)c2ccccc21 742521995 MBANBDPCTXKSPH-TZMCWYRMSA-N 447.542 1.590 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 746314249 ASWIWCWCSYVNSG-PHODEOQFSA-N 430.427 1.552 30 10 IDEE COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 746876480 GOWOVDMQSVBEJK-UHFFFAOYSA-N 429.498 1.826 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 748066194 SAFCKYQCGHATJY-UHFFFAOYSA-N 426.494 1.200 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N(CCC#N)c1ccccc1 750299357 JLTOGQREBDPIKE-HNNXBMFYSA-N 433.461 1.983 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H]1CCN(c3sccc3C#N)C1=O)C2=O 751622750 NMQOSRQFKMTKCF-JGOZLAPISA-N 430.486 1.769 30 10 IDEE O=C(O)C#CCNC(=O)[C@@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757488191 YSJIMGLEOJGPJZ-IFMALSPDSA-N 434.448 1.887 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cccnn2)C1=O 766418158 YHCMLOIPPQWRRF-SFHVURJKSA-N 437.529 1.548 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(Cc2ccc(CC#N)cc2)CC1 784173012 TTZJQZBGUMOPLL-UHFFFAOYSA-N 447.582 1.971 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 790861890 JJOVSCQICRQEBE-GORDUTHDSA-N 438.387 1.850 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1 801617191 JXQWBNCOVNAKLB-USIMHWGNSA-N 436.534 1.911 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC(C)(F)F)C1=O 814709690 DYIQBNHHQPQPIY-BHQWEUPHSA-N 427.521 1.647 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 916178671 JMIRRSIKVIIBTC-UHFFFAOYSA-N 435.527 1.849 30 10 IDEE CCOc1ccccc1N1C[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1=O 916178886 SKQDJTXZYLQCQF-QGZVFWFLSA-N 427.482 1.956 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCCS(N)(=O)=O)c1 1141878334 UKDAYIWCEWLOTL-CAPFRKAQSA-N 430.552 1.287 30 10 IDEE N#C[C@@H](CCc1ccccc1)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1147646252 YIKKSJBTNDBAAF-JOCHJYFZSA-N 426.561 1.836 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1168642876 QCQRWVHCHYDSQL-UHFFFAOYSA-N 428.514 1.728 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1177759235 MNHKIERNEJSYQJ-ZWKOTPCHSA-N 439.965 1.087 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286285130 KUUDPPRMNYUXPW-SFHVURJKSA-N 433.564 1.722 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1286295381 IQOPFBADNOXDFU-QKLQHJQFSA-N 441.598 1.256 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(C)(=O)=O 1286460254 BVZXIIFUHXVYRQ-UHFFFAOYSA-N 433.534 1.278 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286466398 GIQAKMBHXBKQAE-FCHUYYIVSA-N 439.560 1.483 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CCn2cncn2)CC1 1286492627 NYUFYNMQWBVEKF-UHFFFAOYSA-N 448.531 1.423 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCOC)CC1 1286493445 VOMBPZUWVAYWNG-UHFFFAOYSA-N 427.553 1.532 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286511703 NPOZTDBHZBWORK-GOSISDBHSA-N 446.602 1.133 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286782886 CCKGBPIZNPSUFY-RDJZCZTQSA-N 445.520 1.505 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286784772 SVTQPVUVDJEIGC-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N(C)C 1288606172 ABBHLMQXKCJILQ-INIZCTEOSA-N 445.593 1.627 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1Cc1ccc(C#N)o1 1288809071 QKFQZIOMRMBPIK-CABCVRRESA-N 448.549 1.533 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCC2)cs1 1290435081 GLJUWGMEANSNJG-QGZVFWFLSA-N 429.550 1.765 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CCCS(N)(=O)=O)CC1 1293135739 AJVANVFPTCFJCL-OAHLLOKOSA-N 429.340 1.227 30 10 IDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)C(=O)/C=C/c2ccc(F)cc2)C1=O 1294118132 SWNQHUGNJWLTGB-RUDMXATFSA-N 438.415 1.540 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)OC)CCN2C1=O 1295891154 XASBZMNKSMZJJQ-QGZVFWFLSA-N 437.504 1.714 30 10 IDEE CN(c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1298181837 DJFMRCCMKJVABO-ZREAOVPFSA-N 436.516 1.815 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1298756305 LUFWFEORUYOKIF-LJQANCHMSA-N 426.448 1.346 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1300273312 PXVPWWPRVZLEIQ-HUUCEWRRSA-N 429.550 1.705 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300485090 WPZXCPZLFYUMQP-UTKZUKDTSA-N 436.578 1.746 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1300504513 ODSZADYNRWNEHT-CEXWTWQISA-N 430.578 1.983 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(F)F 1300527598 JAAKNKGEUIMUEY-UHFFFAOYSA-N 426.427 1.894 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1300586617 GGAQHZYSSCOIOJ-UHFFFAOYSA-N 428.496 1.639 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCOC1 1300665230 JMSVCOIWJSOCKD-IBGZPJMESA-N 435.322 1.945 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1300671204 DVINZONGPQYNEJ-IRXDYDNUSA-N 432.550 1.040 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CC2)CC1 1300710554 GEUCCZKXDCNYSJ-UHFFFAOYSA-N 442.564 1.297 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CC)s2)CC1 1300723590 XDFSQKLZXDDZPT-GOSISDBHSA-N 440.573 1.867 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1300761217 ALIFEFJXEQMVME-OAHLLOKOSA-N 426.608 1.940 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1300891352 KHPLWYQSYHGTGX-NQIIRXRSSA-N 444.580 1.686 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1C 1301501692 ZRSGRWPMVVTYSY-SJORKVTESA-N 431.562 1.988 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1302005066 XUVZMIIGRSEEKB-HUUCEWRRSA-N 433.534 1.511 30 10 IDEE Cc1nccn1CCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1304707660 NRCVMMUWXQNETA-WIYYLYMNSA-N 429.525 1.643 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H](C)O1 1305153117 BFWNRDVRRFSXGR-HZPDHXFCSA-N 433.534 1.492 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1312896910 ZIZMPRNDOSVSKF-JSGCOSHPSA-N 443.289 1.504 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@H]1CCCO1 1339624213 OPPURTUAMOKFOQ-HXUWFJFHSA-N 449.576 1.703 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccn3nnnc3c2)c1 1355959784 LFZBQXIZOGASAZ-XLNRJJMWSA-N 427.490 1.970 30 10 IDEE COC(=O)c1cnn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)c1 1358084922 SENSHJYDDHQDSL-NKFKGCMQSA-N 447.517 1.901 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCN(CC)CC1 1358887606 ZTYJVPOFSJRULL-IRXDYDNUSA-N 427.553 1.490 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCNC(=O)c2cc[nH]n2)c1 1358902356 LKRRBHRBQKTPDK-UHFFFAOYSA-N 446.515 1.755 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNS(=O)(=O)c1ccccc1 1358955392 LDPYPGXWLQNNKB-WMZOPIPTSA-N 433.534 1.050 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1358960411 DLUDWJLTNRZOHW-CQSZACIVSA-N 443.558 1.429 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358962302 NMWVKRDPDMRFCR-QWHCGFSZSA-N 447.483 1.444 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)[C@H](C)CC)CC1 1359032910 IHMGZVISJZHEIY-LJQANCHMSA-N 448.579 1.406 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1359038796 LEOHDGBRXGSBOM-DEOSSOPVSA-N 436.560 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc3c[nH]nc3c2)CC1 1359047462 HTSDUHMDZQEBRL-UHFFFAOYSA-N 435.532 1.899 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc3c(c2)OCO3)CC1 1359159134 NZABSHGUATUNCG-OAHLLOKOSA-N 449.533 1.852 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1359240834 YCTMNMKYULARFA-CQSZACIVSA-N 435.941 1.741 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359311927 KYPZFEBMQUVVNO-YESZJQIVSA-N 428.493 1.247 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)NC(C)C 1359329428 IWIBXMXHHRWZQG-UHFFFAOYSA-N 449.533 1.235 30 10 IDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359344741 HNATWXOYCHVCPY-UHFFFAOYSA-N 429.594 1.393 30 10 IDEE CC(C)NC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1360309892 QXZNPZZOZCIIMH-BWVDKLOVSA-N 443.552 1.623 30 10 IDEE Cn1nc(-c2cccnc2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1441015517 YJAGSNWNMMZGSP-UHFFFAOYSA-N 436.497 1.500 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1 1453838787 DUNHJYCIASTEAR-UHFFFAOYSA-N 447.340 1.615 30 10 IDEE C#CCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1455949467 YAYNEFHNAZNPST-UHFFFAOYSA-N 428.352 1.283 30 10 IDEE CC(=O)NCCc1ccc(C(=O)Cn2cc(C#N)c(I)n2)s1 1459141626 GFCBEZCFPGWCGD-UHFFFAOYSA-N 428.255 1.982 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2=O)cc1 1469763102 WCEQIIUOPUUPBZ-FCHUYYIVSA-N 448.527 1.649 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cc[nH]n1 1470391690 YBUCEZGWZHAPCK-CQSZACIVSA-N 429.260 1.850 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OC 1475577732 AEHKPFQHHBNUOY-GFCCVEGCSA-N 440.337 1.639 30 10 IDEE C#CCC[C@H](O)CNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1479052380 DDKZBUJQXZZIHJ-IBGZPJMESA-N 442.520 1.866 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1503227859 GLVVYISTJWZQCV-CVDCTZTESA-N 438.532 1.927 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1507623904 YWVDXTMYDHNCBW-INIZCTEOSA-N 430.596 1.243 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccccc1)N1CCOCC1 1507646448 PDBGQADMDVNFHR-JOCHJYFZSA-N 429.528 1.825 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1507672809 HZGFGFNRFOWZKP-UHFFFAOYSA-N 428.500 1.697 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN(C)CC)c2)CC1 1507716988 XOTKNQJLTWZZBS-UHFFFAOYSA-N 437.592 1.672 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCc3nccn3C2)CC1 1507741474 UKWMWXYVPWCDIK-QGZVFWFLSA-N 425.537 1.240 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507749967 DMACOCMKONGXQQ-FQEVSTJZSA-N 449.584 1.988 30 10 IDEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507779620 DLCFHOGHKMKVPT-GFCCVEGCSA-N 441.717 1.853 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)CC1 1507803302 FRQNBQNMGWBXJI-WBVHZDCISA-N 430.534 1.475 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1507842849 DFURJPOZASOUKX-QGZVFWFLSA-N 444.536 1.951 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507968375 SCUZNLAMFUVODH-CEWLAPEOSA-N 446.596 1.364 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508093608 VSEWWYLKBFIRIM-IEBWSBKVSA-N 438.532 1.491 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC=C(C)C)C1 1508125101 NVUZIQVYFGGQSF-ROUUACIJSA-N 439.582 1.749 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC[C@@H]1COCCO1 1516590424 YXOIKKPKFWQNBU-LJQANCHMSA-N 426.521 1.818 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1518277342 MLQBMICWOIKMJX-SJORKVTESA-N 443.504 1.975 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1519275855 MJVMPANKZJCAQM-GOEBONIOSA-N 443.508 1.555 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cc(C)c(C#N)cn1 1524982736 YNJSGKPWEQVPMA-UHFFFAOYSA-N 429.502 1.459 30 10 IDEE C#C[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C1CCOCC1 1529522170 QGYDQMREMSBYTB-HNNXBMFYSA-N 429.336 1.858 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1531322248 WIDUYWPORMBNGY-XIRDDKMYSA-N 428.532 1.072 30 10 IDEE C[C@@]1(C#N)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCO1 1536619642 RISUYTLZUJHVLY-MSOLQXFVSA-N 435.278 1.357 30 10 IDEE Cn1c2c(ccc1=O)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCC2 1537919329 KYEOCBBLJBFUPK-MSOLQXFVSA-N 433.468 1.656 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1538974969 VSWYJHLJKRPICH-ZIAGYGMSSA-N 436.607 1.924 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1539016751 VKSQTYFBRPQEKT-MOPGFXCFSA-N 449.621 1.673 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1539016811 VRGNLAJKLZNSMF-IXDOHACOSA-N 431.566 1.041 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](COC)OC)c1 1539039667 DZLOZFNRESWLRH-IBGZPJMESA-N 437.504 1.396 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1N1CCOCC1 1539200307 GEKWYNCKDVPNIX-FPOVZHCZSA-N 425.533 1.956 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539221683 RDCKGBRCLZLEMI-ROUUACIJSA-N 432.550 1.237 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539779519 ZVSPZWNBCWDAHN-MSOLQXFVSA-N 426.993 1.971 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1540073441 QFRRPYAIYRRMAT-GOSISDBHSA-N 431.562 1.687 30 10 IDEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1541474770 GJVPSTNXCXTUFY-UHFFFAOYSA-N 434.552 1.747 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)c(OC)c1 1554872676 PIIRKIUJTFGKGC-IAGOWNOFSA-N 429.477 1.497 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](CCCC#N)c2ccccc2)c1 1569670061 BVAXYUUNESDVPD-LJQANCHMSA-N 449.554 1.920 30 10 IDEE C=CC1(CC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CN(C(=O)OC(C)(C)C)C1 1586269585 DAZOCRNYKLPBTD-MRXNPFEDSA-N 445.582 1.404 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1586931562 NUNDVDJGJMJIEK-OAHLLOKOSA-N 446.367 1.623 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CCOC 1587567215 DEBNKXAOJUZDKQ-BTYIYWSLSA-N 448.593 1.792 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1587639465 LXUOMRPZPQBVHL-IAGOWNOFSA-N 439.582 1.154 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1587706813 SZWHRQWGICWWEP-INIZCTEOSA-N 438.598 1.433 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1588011881 NPVTZGXDHPYZON-GOSISDBHSA-N 431.562 1.967 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1588459453 WWQFGIYNSISUBT-KRWDZBQOSA-N 446.552 1.668 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2OCC[C@H]2C)n1 1588722896 IERIRMFMWOJHSQ-WSTZPKSXSA-N 428.537 1.690 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1588752734 UARJVYUOEKKTHE-URAOTHONSA-N 437.610 1.233 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCC)CC1 1588923770 LTMCGFBJCQWIPJ-UHFFFAOYSA-N 442.520 1.398 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1594839263 HPZIMRWXHNBILW-FQEVSTJZSA-N 433.534 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cc(C)on1 1595537452 RQVNYPDSMKPVSK-UHFFFAOYSA-N 434.460 1.829 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)CN(C)C2=O)C1 1595673502 HUHJUMLZWIAXIJ-BTYIYWSLSA-N 425.493 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(C)=O)CC1 1595799349 ZAXKQDMHPSCPNP-QGZVFWFLSA-N 425.555 1.179 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1595805260 MOVJQLYEDNALLP-UHFFFAOYSA-N 449.552 1.714 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597268258 BDZPCYFVOMXVJZ-ZSVKVYQISA-N 441.536 1.110 30 10 IDEE CC1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1612860879 OXWVYKAIQSKCQO-VXPUYCOJSA-N 427.509 1.163 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)C 1617266994 ACZAOGGPOVJZCF-INIZCTEOSA-N 446.577 1.991 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCSCCCO)CC1 1620352068 NJNKSJBRASLAIH-GOSISDBHSA-N 443.577 1.491 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 1623908874 PPHBDCYMQGAJRQ-QGZVFWFLSA-N 439.534 1.860 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4c3NC(=O)CO4)CC2)cc1 1624062075 KCFZCLQAKQLXLZ-UHFFFAOYSA-N 426.454 1.036 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cn2)CC1 1625736038 DNTRRCCGFFWFEV-UHFFFAOYSA-N 445.520 1.590 30 10 IDEE CN1CCCN(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1628270221 PTVGUFIGPMXOBG-UHFFFAOYSA-N 434.382 1.901 30 10 IDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1629159026 NKDCAJDSZZROFF-QKNQBKEWSA-N 449.573 1.641 30 10 IDEE CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1632880637 VPPLVARNLAFEPT-VZCCSQPZSA-N 428.489 1.970 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC3CCOCC3)CC2)s1 1632954088 MWLRJNMDDOKVBB-UHFFFAOYSA-N 427.592 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639174980 IGRJMXLZYFTQJB-IYOUNJFTSA-N 429.564 1.126 30 10 IDEE CC(C)(C)OC(=O)C1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 1639859906 NEIZUXOQEULNLW-UHFFFAOYSA-N 437.518 1.091 30 10 IDEE C#CC1(O)CN(C(=O)CCSCc2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 1640069909 IGSVHKUXYCBDKZ-UHFFFAOYSA-N 435.527 1.300 30 10 IDEE Cc1cccc(-n2ccnc2SCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1C 1640637006 RSVZNQJSANALOO-UHFFFAOYSA-N 436.497 1.799 30 10 IDEE Cn1c(=O)[nH]c(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)c(C#N)c1=O 1642792941 FBGBGCNOGXSKPB-GOEBONIOSA-N 429.452 1.581 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)CC2(CCOCC2)C1 1644275755 YJURNWARAVJKFJ-AEFFLSMTSA-N 449.573 1.674 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1645244265 HPRZAYHMWAIOAS-SJORKVTESA-N 438.550 1.415 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NOc1cccc(C#N)c1 1648727161 SKKPKLPMIQVJDP-KRWDZBQOSA-N 435.889 1.855 30 10 IDEE C=C(C)CN1CCC(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)CC1 1668488750 XZKHTHKTKVCAHS-CMVHYPBASA-N 427.567 1.225 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OCC 1669266571 GBZJQFOZJGMPNA-LBPRGKRZSA-N 437.287 1.863 30 10 IDEE CC(C)O[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 1676260294 VGAWUVOKFCYBJS-FQEVSTJZSA-N 436.534 1.158 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)CC1 1681398137 VUVKKJMEUIURBZ-UHFFFAOYSA-N 437.953 1.169 30 10 IDEE C#CC[C@@H](COC)NC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1684305146 XVNDDJHYNNIIMP-ROUUACIJSA-N 438.569 1.914 30 10 IDEE N#Cc1ncn(CCNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1686407275 HHONREJAJRQVJU-HTQZYQBOSA-N 432.275 1.962 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1689851867 WOECRZJNAMNITR-SJLPKXTDSA-N 432.546 1.712 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690172455 GISSQEYAAUSMTB-HOTGVXAUSA-N 427.596 1.356 30 10 IDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690230536 ICOGEOATENPMAF-MRXNPFEDSA-N 435.326 1.514 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690248302 MLNIVXKKKIYTEU-VALFRTSSSA-N 441.532 1.605 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1690506296 IXUMFPMUIRICSP-UHFFFAOYSA-N 431.504 1.921 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1690640819 IGFWZNPZHCYJSV-UHFFFAOYSA-N 437.504 1.332 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690674711 CDTMRQRYLLDNEB-IEBWSBKVSA-N 438.532 1.491 30 10 IDEE CC1(C)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1692865195 RKOKGPMZFLWIHG-VXPUYCOJSA-N 441.536 1.553 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCO1 1697888146 ANDJOQAOQQEMFW-PXNSSMCTSA-N 426.521 1.389 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1705551230 JSOKVGLSYZQEHK-ZDUSSCGKSA-N 432.937 1.838 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1705632486 RNXBHAHGKVSJJK-UHFFFAOYSA-N 429.590 1.946 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1705667638 YONVWHFFWVGRHX-LJQANCHMSA-N 425.624 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@]2(CCOC2)C1 1705697311 LDEFRTWIZSCDKV-NXWNEQKCSA-N 436.553 1.979 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705704479 VFJSANGQOINXFG-GGPKGHCWSA-N 428.537 1.606 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(F)cc(F)c2C1 1705894250 RHXSHSSWYLBTRJ-UHFFFAOYSA-N 430.459 1.657 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(N)=O)CC1 1705907210 DNKCBDMVFOERDG-UHFFFAOYSA-N 426.521 1.076 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1708292653 QZDOGZIVSBCJFU-GOSISDBHSA-N 434.508 1.389 30 10 IDEE CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1709974794 YJUWJNBYESOSLR-FPXVKDQESA-N 430.509 1.517 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1712581119 HBQQWRWRRFVNPC-MRXNPFEDSA-N 427.509 1.721 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCC2)C1 1712710441 GKVJRBOJYQRBRR-UHFFFAOYSA-N 430.534 1.515 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1712876783 UPPZJPJJCWEVQJ-FZMZJTMJSA-N 425.408 1.549 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCS(=O)(=O)CC)c1 1722307879 YCFJOXOTBWYHJW-UHFFFAOYSA-N 429.546 1.722 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722342220 UQCOXSDERALVEA-FHWLQOOXSA-N 431.537 1.243 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(NC(C)=O)cc2)CC1 1722437941 LUXKVDYVBIYPLU-UHFFFAOYSA-N 432.532 1.635 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1722446726 JVEIQXTWNGUIME-QFIPXVFZSA-N 438.488 1.485 30 10 IDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1722525481 JCLNHOSHIFWQMW-UHFFFAOYSA-N 448.593 1.717 30 10 IDEE COC[C@H](C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1730463305 QWMOQACVIWZBCN-JUXOCIIHSA-N 432.569 1.778 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1731188473 GKCPMVJXBVTVSB-AWEZNQCLSA-N 446.393 1.848 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740592738 GCTWBZWORWPGFH-HXUWFJFHSA-N 435.576 1.810 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1740610802 LSKDTSPBIAGZQB-HNNXBMFYSA-N 441.554 1.091 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1740627622 RNHUQACTDTYNQR-WOJBJXKFSA-N 449.621 1.531 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cnnn2C)CC1 1740693341 YRTHZSIBMRJBBK-UHFFFAOYSA-N 436.520 1.284 30 10 IDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1740695214 IYPZITKURQXCRQ-DEOSSOPVSA-N 436.560 1.980 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCO[C@@H]2CCOC2)CC1 1740697075 QNGGMCJOECDROJ-OAQYLSRUSA-N 427.524 1.959 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)n(C)c2=O)CC1 1740839107 GKYHYQYEIVXGGW-SFHVURJKSA-N 431.562 1.638 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1740900136 MSAVXUQIQOVINN-ZWKOTPCHSA-N 440.614 1.498 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CSCCS2)C1 1740973517 YUMJEKBFGIAMQF-RBSFLKMASA-N 447.652 1.518 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C)C1 1740988867 RUDDRPNELHWPCZ-OAHLLOKOSA-N 436.534 1.788 30 10 IDEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1)S(C)(=O)=O 1747659596 MQKOTHPVIWIZGI-UHFFFAOYSA-N 430.534 1.202 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1748641822 KRQSOROIOMFVAE-BWAGFHJFSA-N 449.621 1.596 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1748672303 RSRFPQRBUMVHKT-QAPCUYQASA-N 434.518 1.310 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(C)CCCO2)c1 1748693009 VFFONPFAKKGKPQ-MBSDFSHPSA-N 436.516 1.855 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccnc(N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1748805261 PTKSCDSNCBMYBW-LJQANCHMSA-N 428.562 1.647 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748825711 CQYUUKSUDXYYDY-IIBYNOLFSA-N 446.504 1.180 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1748859884 PNYGYYXRQFAQPW-IBGZPJMESA-N 434.500 1.535 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C1OCCO1 1748948551 QZVQGUFBFVTKBQ-UHFFFAOYSA-N 427.505 1.596 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOCCN(C)C)CC1 1748994398 FRPOJOZYRQQIQL-UHFFFAOYSA-N 435.576 1.615 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2CCOCC2)nnc1[C@]1(OCC)CCOC1 1749140308 NTOOGWCUWGTQPG-JTAQYXEDSA-N 449.596 1.680 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749683185 LKHDFTYGYBHURP-HRCADAONSA-N 434.541 1.781 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749761188 WYQLRJWEBWVJRH-ZWKOTPCHSA-N 434.610 1.477 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1760097886 LIJBCLFXCCZFCH-LSDHHAIUSA-N 442.545 1.951 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCOCC1 1760206509 BRHTZLRNXMDRRE-SFHVURJKSA-N 440.573 1.311 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NCCC)CC1 1760266832 NYRDQKAPAPAWNG-UHFFFAOYSA-N 447.543 1.699 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(OC)C2CC2)CC1 1760271027 ITHBOYNZQWAIAS-QHCPKHFHSA-N 442.564 1.181 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 1760284413 LTQYTJOQIQQHRI-UHFFFAOYSA-N 432.594 1.068 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760358205 SIXFZQSYZBBAMJ-TYPHKJRUSA-N 446.596 1.364 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760360798 MXYBUQXLXWMPGD-QZTJIDSGSA-N 439.582 1.727 30 10 IDEE C=C(Cl)Cn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760366554 CITJEZVMCXBROJ-MCIONIFRSA-N 431.946 1.466 30 10 IDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCCO)CC1 1760387997 BNIKCIWKXOMAOS-UHFFFAOYSA-N 434.566 1.794 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1760446281 MUZIPCCWHCWWNV-KRWDZBQOSA-N 431.518 1.670 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCS(=O)(=O)C1 1760503495 KCBBHYCPFGFHLB-AWEZNQCLSA-N 437.522 1.079 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760571718 PNPFLBJTHBARKM-ULQDDVLXSA-N 436.582 1.477 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760821283 KNLVSBXOKNSAFM-OAQYLSRUSA-N 445.545 1.515 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1762608970 AXOLERGUKOBBGO-INIZCTEOSA-N 442.911 1.426 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1768191979 MWGPIPBOFIXFEM-IBGZPJMESA-N 426.521 1.927 30 10 IDEE CO[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1769677907 CRKLMINOWRDMQT-SFHVURJKSA-N 439.520 1.606 30 10 IDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1770126304 HOZKJKLGVIVQFV-FQEVSTJZSA-N 437.504 1.752 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1770331151 NWSKUUSUFOOUNI-FQEVSTJZSA-N 431.518 1.247 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1770340963 YXKDBWNFFNHIJQ-GOSISDBHSA-N 448.524 1.512 30 10 IDEE COc1cccc(N2C[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1852522680 BKMNRMWDJQLXQH-LJQANCHMSA-N 449.511 1.680 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)Cc4ccsc4)C3=O)CC2)CC1 1853729793 DTPBXUGOSSMTES-LJQANCHMSA-N 428.558 1.892 30 10 IDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@H](C(F)(F)F)C3)ccc21 1854313930 PTJOFKJFHXSLKE-AWEZNQCLSA-N 431.392 1.358 30 10 IDEE CC1(C)C(=O)N(C(=O)Cc2cccnc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854517140 NZNSNXNLPUDSBT-UHFFFAOYSA-N 446.916 1.987 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccccc2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1F 1855022901 LEXHSCBKGPPYPY-AWEZNQCLSA-N 429.473 1.974 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12)[C@H]1CCS(=O)(=O)C1 1858243114 QRFTVJURGMKFKM-HNNXBMFYSA-N 437.481 1.717 30 10 IDEE CCN(CC)CCCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872707563 XDZGNHXXHISGEV-UHFFFAOYSA-N 446.533 1.971 30 10 IDEE CN(C)c1ncc(/C=N/N2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)cn1 1873793146 YPXMHHHKPIRGBL-XIMCHAMWSA-N 431.500 1.889 30 10 IDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1OC 1874238081 PVRNIMKSNWGPPD-LSHDLFTRSA-N 443.485 1.757 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)CC1 1889350845 FYTCYGQIQDYUCG-UHFFFAOYSA-N 428.581 1.193 30 10 IDEE COC(=O)C1(NCc2occc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2039821972 OMQYJGUPQOOBIC-UHFFFAOYSA-N 436.314 1.831 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401607 LOTAGBVHGALCNQ-UHFFFAOYSA-N 441.359 1.288 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2255542365 QJZMALGZZIDPBZ-HUUCEWRRSA-N 432.330 1.553 30 10 IDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2255601449 GKWJFPFOMHJAAG-OLZOCXBDSA-N 435.334 1.725 30 10 IDEE C[C@H]1[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255605517 MKCXGRNQCGFXDK-QWHCGFSZSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255631690 CQNNFUSIJYQPDL-KBPBESRZSA-N 432.330 1.933 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255824223 CZMVKZBFRAFAON-CQSZACIVSA-N 434.346 1.849 30 10 IDEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255826568 BLKVXVMXXFLMTB-ZYHUDNBSSA-N 430.236 1.238 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864399 VPOOWEWLZWJOFJ-YPMHNXCESA-N 429.248 1.843 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256600472 JPPGBFPJYZJBJD-OAHLLOKOSA-N 433.314 1.693 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267589040 UUENZAKCRREHBL-DEOSSOPVSA-N 437.349 1.748 30 10 IDEE Cc1cc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2268635340 PYVYADNVQMQVLI-UHFFFAOYSA-N 447.341 1.874 30 10 IDEE Cc1nccn1CCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466013572 VEFGBPOMECVAJU-UHFFFAOYSA-N 430.534 1.560 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C[C@H]1CCCO1 477313906 KJTDFHOIYLIFHU-OAHLLOKOSA-N 445.472 1.864 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 478754048 NMUMTFFPFNXLLA-DZGCQCFKSA-N 431.539 1.044 30 10 IDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481218737 OREKIFCZPWHLCI-HOTGVXAUSA-N 434.562 1.624 30 10 IDEE COc1cccc(N2CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 481540280 JRRTWSPSPYBNIX-FUHWJXTLSA-N 442.541 1.876 30 10 IDEE Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n[nH]1 482935820 MSWXJVCYQNNCIT-HNNXBMFYSA-N 431.500 1.534 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 486091042 FLKLSDJJOYKBBI-UHFFFAOYSA-N 431.500 1.990 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)C2)nc1 490987273 JEFWHHKSLOOCKF-ROUUACIJSA-N 441.513 1.579 30 10 IDEE Cc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cnn1-c1ccc(O)nn1 503698578 CKMRXOKHSUXIER-MRXNPFEDSA-N 435.469 1.702 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC1 508726227 RMXMOJHZUDKYTO-UHFFFAOYSA-N 438.866 1.918 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 508791348 AOJQWYFCYHKENW-FUHWJXTLSA-N 435.525 1.930 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 508867262 PGHSKHCKKJKTKG-LJQANCHMSA-N 432.569 1.371 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 522310040 VCFBYAHOTSBIGE-WOJBJXKFSA-N 443.592 1.425 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)n(Cc2ccccc2)c1C 532573431 SZVHNPDUETVCFZ-GOSISDBHSA-N 429.546 1.587 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc(Br)cn3)CC2)CC1 540349513 WCDVIDOFBCEHEO-GOSISDBHSA-N 449.397 1.658 30 10 IDEE COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546185093 ZWCFAAKMTQJKQZ-UHFFFAOYSA-N 444.469 1.037 30 10 IDEE COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546893650 ZIRSJCRLFOWIJU-UHFFFAOYSA-N 444.469 1.037 30 10 IDEE CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 586859636 DBQFGYKUMXKHIO-UHFFFAOYSA-N 443.523 1.153 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cn2)CC1 608924672 BKVCBQJUZYPSCT-UHFFFAOYSA-N 430.516 1.793 30 10 IDEE CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 614898207 BLDKRMCMELXQOM-UHFFFAOYSA-N 428.510 1.828 30 10 IDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727418161 ODEQULXFBXUILS-UHFFFAOYSA-N 441.468 1.977 30 10 IDEE C#CCN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 729335667 TVIPFTIOHQTWSM-UONOGXRCSA-N 429.325 1.995 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@@]2(C)CCOC2)C1=O 733078536 YYBYKILQCXAVTG-XEKWNIKBSA-N 447.605 1.419 30 10 IDEE CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CN(C(=O)OC(C)(C)C)C1 747963069 GEKCNAWCLIQCNH-UHFFFAOYSA-N 436.534 1.878 30 10 IDEE N#C[C@@H](C(=O)CN1CCN(Cc2nccn2C(F)F)CC1)c1nc(O)c2ccccc2n1 754862358 BCYKDRBLXAEFJV-HNNXBMFYSA-N 441.442 1.921 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 755835903 CKXGRKYZFHVXFS-VHEBQXMUSA-N 425.420 1.684 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCN(c2cccc(C#N)n2)CC1 761228825 MTVWKPMFIRLVQE-MRXNPFEDSA-N 434.953 1.793 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N(C)C(C)(C)C#N)C1=O 771440917 RNOFBGKMJUDCOU-OAQYLSRUSA-N 430.461 1.074 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cncc3ccccc23)c1=O 772898976 RATWYYSVQUJFKA-UHFFFAOYSA-N 448.548 1.690 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 774258743 CJPLNIOBJLOLMA-SFHVURJKSA-N 447.605 1.781 30 10 IDEE N#CC1(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCC1 784184223 CNKPLRCQASFCML-UHFFFAOYSA-N 439.921 1.846 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 788069032 UVSCIKYOPQBOPD-UHFFFAOYSA-N 432.487 1.900 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)s1 794578261 AEGOVQLKTYNBJQ-HUUCEWRRSA-N 445.566 1.353 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)c1ccc(F)cc1 794895731 MKYHJVCQHCLNAZ-RTBURBONSA-N 446.500 1.858 30 10 IDEE COc1ccc([C@H](CNC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)N2CCCCC2)cc1 798744902 NNPAOZVAXGMFGI-APWZRJJASA-N 440.504 1.606 30 10 IDEE CCOC(=O)c1c(NC(=O)COC(=O)c2cc(C#N)ccn2)sc(C(=O)N(C)C)c1C 803846270 XVKHFQODADXCDF-UHFFFAOYSA-N 444.469 1.997 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 1127138156 CMZWRZPGOADVDL-IXDOHACOSA-N 429.521 1.912 30 10 IDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 1129265015 YYNBAVZAQGFBDH-JOCHJYFZSA-N 429.440 1.853 30 10 IDEE CN1CCC(CNC(=O)Cc2ccc(Br)cc2C#N)(N2CCOCC2)CC1 1129720608 QGPQDBIAEJGPQE-UHFFFAOYSA-N 435.366 1.776 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)n[nH]2)c1C 1136134650 XHPISEDUTLROER-UHFFFAOYSA-N 427.509 1.286 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)CC2)cc1 1136149523 NSPPLVNIBQYQFM-NHCUHLMSSA-N 441.509 1.548 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c1 1136190097 RHRANVRTCABKLA-UHFFFAOYSA-N 444.488 1.687 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc2ccc(C)cn12 1142553719 CHHBWIKZMMXZKJ-MRXNPFEDSA-N 440.529 1.951 30 10 IDEE Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1157883893 CGCPCMBYRDKQDM-OXJNMPFZSA-N 445.570 1.681 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)s1 1178596997 ACQUIYLFMHWSRE-UAGQMJEPSA-N 444.575 1.176 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 1224764687 XMDJDAABDKUVMO-SJORKVTESA-N 445.582 1.691 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286285125 KUUDPPRMNYUXPW-GOSISDBHSA-N 433.564 1.722 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCCS(C)(=O)=O)c1 1286312069 QQECRSGBWOYTCK-UHFFFAOYSA-N 429.546 1.722 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1286431940 UBTKVFMCXHLYCB-OXQOHEQNSA-N 432.571 1.612 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cccn(CC)c2=O)CC1 1286482793 ZKSYCYJQJOSRNC-UHFFFAOYSA-N 446.555 1.863 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccco2)CC1 1286487294 FOOQHKLEHFCURO-HSZRJFAPSA-N 441.532 1.926 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1286701409 ZMJCMBVMVPEWKX-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCc2sccc2C1 1286819503 MTLCFRHDXLFEQM-OAHLLOKOSA-N 435.575 1.844 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC 1286819997 BHOIXINXPYRNED-UHFFFAOYSA-N 433.582 1.899 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1288505462 BRLNHESMQQJQDN-LSDHHAIUSA-N 431.522 1.489 30 10 IDEE CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)o1 1292684143 FPNZRUZFAGEAJJ-UHFFFAOYSA-N 443.533 1.709 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OCC)s1 1293852684 JKLQCJVBCZUWOR-JKSUJKDBSA-N 428.576 1.533 30 10 IDEE C#CCC[C@H](O)CNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1296955614 CSZWTGPCTJNQQG-OLZOCXBDSA-N 427.452 1.902 30 10 IDEE CN(CC1CCC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1298519948 JXIAYBRMGFKIBY-VXPUYCOJSA-N 427.509 1.163 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1300383852 IJTYDTMRBPBXEF-MRXNPFEDSA-N 432.550 1.334 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300481879 CDYQABJMIATAKN-GOSISDBHSA-N 447.536 1.237 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300487641 KPZIZXCPKQFLAP-UWJYYQICSA-N 431.562 1.725 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1300604319 GMBIQQUMLJOGMT-UHFFFAOYSA-N 433.314 1.669 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300754289 NKIQOOYLQGMWOV-QGZVFWFLSA-N 446.602 1.711 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1300756591 QOGBCMNVTKHEKC-KRWDZBQOSA-N 445.593 1.324 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1 1300886568 YWFMRCBPAKVSFJ-VCBZYWHSSA-N 445.524 1.419 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1300896140 ZHDCMNYIDXFKLT-GHDARCQNSA-N 436.553 1.763 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301152495 ZCPGLJLBUYWLMM-QGZVFWFLSA-N 432.569 1.558 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301586801 JOWRECAABJRQTJ-INIZCTEOSA-N 448.549 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301588012 BJSLHNRKRCWNQL-IKGGRYGDSA-N 437.566 1.083 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1302248941 ZOGLQCAJPZEVKQ-CNNODRBYSA-N 427.505 1.662 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)C1 1302290804 SUCITLUSIAJFPX-YVSFHVDLSA-N 448.524 1.193 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1302450746 CHAVDVCLRMPXRT-PMERELPUSA-N 428.562 1.936 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCS(C)(=O)=O 1302954158 GXHVEKVRUCXZOA-INIZCTEOSA-N 446.581 1.288 30 10 IDEE CNC(=O)CN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 1308094239 WQFMDFSBYAXEQL-UHFFFAOYSA-N 436.560 1.717 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)C1 1315095261 LSVJELMNUQQFPA-FQEVSTJZSA-N 438.532 1.928 30 10 IDEE CS[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316371933 CZBJDJZCQVLZFI-AWEZNQCLSA-N 445.597 1.408 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1358976997 ZMSWCPACJSGYMR-UHFFFAOYSA-N 444.495 1.438 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@@H]1C 1358997117 FNFRWOWRFYCBRU-IERDGZPVSA-N 427.530 1.272 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1359010169 IRRBOKBSVBAHTB-VGSWGCGISA-N 448.568 1.113 30 10 IDEE C=CCCOCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359229402 INMXQNMLPBUWMJ-KGVIQGDOSA-N 433.553 1.485 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)Cc1ccon1 1359298662 IHJYMPXQWHWQBE-UHFFFAOYSA-N 448.487 1.602 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359326935 NKEIUXWXASNGEW-ROUUACIJSA-N 436.582 1.803 30 10 IDEE COc1ccc(Br)cc1C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1439618733 YHBITLFQMMQANT-SJCJKPOMSA-N 439.331 1.886 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 1440532564 BTBJAJMAPIVITF-KGLIPLIRSA-N 426.351 1.801 30 10 IDEE Cc1nc(=NC(=O)c2nc(N(C)C)ncc2Br)n(-c2ccc(C#N)cc2)[nH]1 1456839631 VVKRCJWXRUTGHA-UHFFFAOYSA-N 427.266 1.740 30 10 IDEE N#Cc1cn(C2CN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C2)c(=O)nc1O 1457198854 KOAOMGNZOPWQPK-UHFFFAOYSA-N 442.785 1.773 30 10 IDEE N#C[C@@]12CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1460837620 UJPMBGMEWMGMTF-WMZOPIPTSA-N 425.432 1.043 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1466280830 QXNBCLWOWHSWKT-IBGZPJMESA-N 432.565 1.402 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCc2nnc3n2CCN(C)C3=O)s1 1471671603 VLZCQOIGTDPPJL-UHFFFAOYSA-N 440.982 1.875 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1479369974 INGPWOWZBBYXQU-BKEDOTJMSA-N 426.539 1.069 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@H]1OC 1505113880 CTFJRDNRAXFVDZ-GASCZTMLSA-N 438.410 1.345 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1507533600 LUIZIPXFYPZOMX-QKNQBKEWSA-N 435.576 1.898 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507628045 MVMLAYNTYOMDTN-MSOLQXFVSA-N 431.562 1.958 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507635674 YMZORPXBHBMSHI-IBGZPJMESA-N 449.621 1.896 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1507731471 JKARMAOPYUCPJZ-LAUBAEHRSA-N 449.477 1.987 30 10 IDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOCC1 1507958783 YSZCBAZFLSWQMS-UHFFFAOYSA-N 434.566 1.976 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1508071544 ADTZBDRTXARSMJ-WMZOPIPTSA-N 444.511 1.380 30 10 IDEE 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Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1C 2337186655 VVCRVLYXMRQUEB-LSDHHAIUSA-N 446.357 1.862 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc2ccccc12 72443918 YYFBSQGBRFKMER-QZTJIDSGSA-N 442.479 1.849 30 10 IDEE CS(=O)(=O)N(c1ccc(OCC/N=C(/N)NC2CCCCC2)cc1)S(C)(=O)=O 305768413 KIMFGIJCNFLKNY-UHFFFAOYSA-N 432.568 1.028 30 10 IDEE Cn1ncc(Cl)c1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 429822790 CUJXTIZHHGTTFF-UHFFFAOYSA-N 437.888 1.763 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 460392537 YTEQBNOZNMWWCZ-QFBILLFUSA-N 425.555 1.194 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ccc3ccccc3c2=O)CC1 468251751 RDRDNHMRNQNZSJ-UHFFFAOYSA-N 436.493 1.406 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 484543276 PJHKPJNNFGAEFQ-KRWDZBQOSA-N 441.578 1.167 30 10 IDEE CCN1C(=O)[C@H]2CN(C(C)=O)C[C@@H]2C12CCN(S(=O)(=O)c1ccccc1C#N)CC2 503716401 LPPINOUGATZHMJ-ROUUACIJSA-N 430.530 1.038 30 10 IDEE COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1OC 509292888 CLKFVUZHEJBGFC-GOSISDBHSA-N 425.441 1.726 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 512719211 ZRCKPQUYXMRZAB-UHFFFAOYSA-N 436.468 1.136 30 10 IDEE CSc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 536756398 LVZLPZIEILEWEI-UHFFFAOYSA-N 431.543 1.891 30 10 IDEE CN(C)C(=O)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 549459510 IPGOBRGHCAEURE-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)(=O)C(C)(C)C1 555220657 ZRJSABCQWWASOX-UHFFFAOYSA-N 428.522 1.510 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1=O 590233249 FOSRTCBOTIXUBX-YBTHPKLGSA-N 431.518 1.692 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(F)cc3)c2=O)cc1 603787305 VHIVPARJLMBWRS-UHFFFAOYSA-N 449.507 1.708 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCCN(C(=O)OC)C2)C1=O 726393708 QQSPDYMIAOOFAC-HOCLYGCPSA-N 429.502 1.857 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)cc1 729668223 BZEICPUPPXAWLV-UHFFFAOYSA-N 441.516 1.660 30 10 IDEE COc1ccccc1CC(=O)N1CCC(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732699488 AEWKJNBQKZPCAP-HXUWFJFHSA-N 425.533 1.610 30 10 IDEE CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)O[C@@H](C)C2 732910111 MGVYZVJWGJXLHA-RMLGOWPTSA-N 432.498 1.388 30 10 IDEE C#CCCNC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 733247723 ONVOVSKVYDPNSC-DYVFJYSZSA-N 427.954 1.874 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)ccc1OC 745819651 OFBVOBSIOQUUDM-KRWDZBQOSA-N 440.504 1.502 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 751684672 KOCDXBPCBXMMOA-HZPDHXFCSA-N 438.933 1.216 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 751684674 KOCDXBPCBXMMOA-JKSUJKDBSA-N 438.933 1.216 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC1)C2 755783244 VNSGHHVQSKVZTC-SFTDATJTSA-N 436.560 1.523 30 10 IDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 757371324 BDTVOISMZNLBFW-KKTNHOPESA-N 427.486 1.434 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)OCc2cc(Cl)ccc2OCC#N)c1 764027533 SANUUGQFQDNYBH-UHFFFAOYSA-N 427.866 1.852 30 10 IDEE C[C@@H](C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)S(=O)(=O)C1CCOCC1 767480894 GAOQROCHZXBQKF-NEPJUHHUSA-N 440.543 1.961 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(-c3ccccc3C#N)c2=O)cn1 772299452 LEVRSYCILILPRZ-UHFFFAOYSA-N 430.493 1.097 30 10 IDEE C[C@H](c1ncn(C)n1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790727141 MBQFCFOBOOQXMZ-TZMCWYRMSA-N 435.579 1.637 30 10 IDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(C)C 799042977 VERRWRCNXZBFQC-MRXNPFEDSA-N 429.336 1.858 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C#N 804707857 HMJPSTFGXJSQBB-HNNXBMFYSA-N 430.505 1.946 30 10 IDEE C#CCN(C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 808901273 CLCQYJBKGGMQAM-CYBMUJFWSA-N 429.901 1.970 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1 914680282 WZYQNAHTTVSGDE-CYBMUJFWSA-N 436.511 1.905 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)NCCO3)cc1 1125202008 AIMBFMNWRFGKOG-LYBHJNIJSA-N 442.497 1.874 30 10 IDEE C#CCN(C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)[C@H]1CCS(=O)(=O)C1 1125953577 HVNGTBCOKUWONO-CNNODRBYSA-N 430.526 1.684 30 10 IDEE C=CCC1(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CCOCC1 1140377353 FNYLPANYNBZHBK-GOSISDBHSA-N 429.565 1.322 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1153419204 FNLWPBSARXYAAF-HXUWFJFHSA-N 433.461 1.266 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 1177292078 CQRLMZRRKWPHBX-ROUUACIJSA-N 435.546 1.994 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl 1191254085 BUXQLETXWNNDDM-CYBMUJFWSA-N 434.923 1.341 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CC1 1254080426 VAZAVOIQXRADHT-UHFFFAOYSA-N 443.573 1.697 30 10 IDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)nn1 1264273968 ZGCRPWOXFJYJHD-UHFFFAOYSA-N 434.522 1.051 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1286304881 YJDJRJAELHDYDL-HNNXBMFYSA-N 432.525 1.152 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1286346706 CDUNWLOXANZSOA-QFIPXVFZSA-N 449.603 1.897 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286390521 AMJIVTNZSHNHAI-OTWHNJEPSA-N 435.594 1.488 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1286431554 PHPBNLNLHNGWBX-WOJBJXKFSA-N 431.606 1.765 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1286470483 WOSSFNVXNINHTP-IEBWSBKVSA-N 433.553 1.142 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1286483239 DFMQKEBVFLFTJL-HXUWFJFHSA-N 427.597 1.276 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286712028 WWHWVYHDFNBOCR-OAQYLSRUSA-N 426.525 1.757 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1CCOCC1 1286722215 RVHNTPYEXUTGQF-UHFFFAOYSA-N 447.609 1.971 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC(=O)N1CCOCC1 1286767690 YIDRLWKUZVUVQL-UHFFFAOYSA-N 436.516 1.991 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286784583 MNSVXIBLBVZATB-OAQYLSRUSA-N 445.545 1.271 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286785959 VJWQUMMEZGBXTJ-UHFFFAOYSA-N 441.433 1.665 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1286807322 BETILIIYYGYBBQ-RBUKOAKNSA-N 438.532 1.369 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1286844337 FJFOFBSQHVQLBW-QGZVFWFLSA-N 430.534 1.166 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N(C)C 1288606173 ABBHLMQXKCJILQ-MRXNPFEDSA-N 445.593 1.627 30 10 IDEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1(C)C 1291316165 OOEWOZQXBVUYSR-PBHICJAKSA-N 437.504 1.809 30 10 IDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1295811762 YYTKSMYGCUVRTK-PXNSSMCTSA-N 438.598 1.974 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)s1 1297738855 ACRHJJGNMBJOHC-YPMHNXCESA-N 426.482 1.774 30 10 IDEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1298377037 HTGDIRRJBNUROK-HXUWFJFHSA-N 427.486 1.596 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1300363037 BSVBVYKQDHBSSV-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1300489155 JRAKKOYBQHNHNS-KRWDZBQOSA-N 448.545 1.626 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1300575528 XVOIHWFSGHOVBH-UHFFFAOYSA-N 445.527 1.787 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCOCC1 1300654676 DHXVQOZRLSIZCP-GOSISDBHSA-N 441.532 1.523 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@]2(C)COCCO2)n1 1300681415 ORMGPLPVPSOESY-JOCHJYFZSA-N 439.520 1.561 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C(=O)NC)c2)CC1 1300697704 IAAUYCASPHEIKO-NRFANRHFSA-N 436.560 1.877 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1300734635 ZKBSOXQVRUMZTA-OAHLLOKOSA-N 428.628 1.175 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1300857653 PSFAGVNUWCBOCJ-RBUKOAKNSA-N 447.561 1.739 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)CC1 1301220051 WQCHMOWAMWZLKX-UHFFFAOYSA-N 430.482 1.802 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301507128 XLUFJULJAYBNAF-GSHUGGBRSA-N 426.521 1.339 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C 1301520723 MSNCOZHOKOIARJ-CVEARBPZSA-N 434.541 1.877 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(C)c2)C1 1301554967 QLWDRPAOSZBEKB-RBUKOAKNSA-N 438.532 1.749 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 1302924849 ULQVNMYJGGIZJI-UHFFFAOYSA-N 427.939 1.027 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1 1302925233 ZOCCQSQXLZIYKH-UHFFFAOYSA-N 440.525 1.189 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1303010053 RAWBCVXXNISADK-ZWKOTPCHSA-N 431.518 1.473 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OCC 1303111495 JQKDMFQHTJEDDT-MRXNPFEDSA-N 426.539 1.441 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCc2ccco2)n1 1304754666 QLCHRXJZJKAFGA-FQEVSTJZSA-N 426.456 1.491 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1306284939 YOBAKOKPTYQECL-LTDXQCTPSA-N 429.525 1.568 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)C1 1312624915 FYKNRKLGGIYENG-SFHVURJKSA-N 439.516 1.921 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1315066862 GIAILIIBTXWFPB-UHFFFAOYSA-N 442.549 1.353 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1315962832 GOTDPFJQUWZGNE-KSFYIVLOSA-N 442.520 1.881 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccccc2C#N)CC1 1316348657 DQOATXITCZBIAN-UHFFFAOYSA-N 439.545 1.906 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1316359403 VHRVQTXNRMPJPK-AWEZNQCLSA-N 429.506 1.094 30 10 IDEE Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1348904226 VGQHKCYWKZUDKH-QGZVFWFLSA-N 447.538 1.893 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1358961682 DACZUWXNOVYWQA-HNNXBMFYSA-N 439.488 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1358967410 JWZBVHLKQXCCJN-UHFFFAOYSA-N 440.617 1.949 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C)C1=O 1359002697 JNGATXHLPFRTAH-NRFANRHFSA-N 444.561 1.133 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1359010300 LQHSPPVGXORWQR-INIZCTEOSA-N 430.513 1.338 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359232211 OZKCSHYQYMEJHI-QFIPXVFZSA-N 446.552 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 1359330065 FLWQSEDPWBYRKZ-UHFFFAOYSA-N 446.577 1.242 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359347541 NDUODDNULAGHTA-LSDHHAIUSA-N 432.554 1.581 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(CO)c2)CCOC1 1360347929 POLZDDPIYUTUEU-KNQAVFIVSA-N 427.505 1.588 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(O)cc2)CCOC1 1360348045 RLILWIROPPJHAB-KNQAVFIVSA-N 427.505 1.996 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1360359623 HNYDDIVWTBVLQG-MRXNPFEDSA-N 444.351 1.468 30 10 IDEE CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)N(C(=O)OC(C)(C)C)CC1=O 1434986596 KCGWCFCRXYPCDP-GOSISDBHSA-N 445.495 1.424 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1454923167 GRTIRUGCAUTYHF-UHFFFAOYSA-N 444.307 1.419 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2O)CC1 1455114206 BIZOAJIPZOUIQL-UHFFFAOYSA-N 434.905 1.333 30 10 IDEE C#CCN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 1456088038 SQKHXQWORYAAET-OCCSQVGLSA-N 425.304 1.524 30 10 IDEE CCOC(=O)[C@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCOC1 1461895469 DXZVDTDJDLQTDW-VGSWGCGISA-N 442.472 1.239 30 10 IDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1472283520 TXKNCFSREWJAMS-BCPOHWRISA-N 445.520 1.718 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1507588297 INGWIDKHGOPTHI-MRXNPFEDSA-N 434.591 1.372 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507784027 ZIKIAJGOCMLLKS-XJKSGUPXSA-N 436.358 1.744 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1507805429 MSZOECUVAPSDMU-XYJFISCASA-N 439.520 1.608 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507808209 UDYVLUOBTIRREE-KZFRKFNSSA-N 433.553 1.700 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3cncc4ncnn34)CC2)nnc1C(C)(C)C 1507847561 AGBMALLJWSLWRX-UHFFFAOYSA-N 425.541 1.933 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1508089453 XHJWBFAYGWEACW-RDJZCZTQSA-N 426.521 1.607 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCNC(=O)CC2)cc1 1508097227 OYYGVIJOCYBHJS-UHFFFAOYSA-N 447.499 1.865 30 10 IDEE Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1511009932 CJERASHHVVEMBF-UHFFFAOYSA-N 427.486 1.913 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCSC1 1512357291 ATIBZJWVPCGMRV-KSFYIVLOSA-N 439.589 1.921 30 10 IDEE CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)CCOCC1 1513615688 DDAZIHQQPLBJMA-QGZVFWFLSA-N 439.582 1.753 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC(=O)N(C)C)CCOC1 1516141805 HVRZOYLDBAJYIQ-QFIPXVFZSA-N 426.521 1.917 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CCO1 1517534167 COTADKDOFCVEOZ-MRXNPFEDSA-N 434.447 1.440 30 10 IDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1518547867 DWRAMEPDSUPQDM-GOSISDBHSA-N 438.513 1.892 30 10 IDEE COCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1518891384 AZSSDPNTNXJJJA-RWNPKEDZSA-N 444.536 1.561 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539219432 CHNCKMUMAGNTCU-MOPGFXCFSA-N 446.577 1.513 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(F)c2)CC1 1539240080 WMTWXGGBUDSJMV-INIZCTEOSA-N 429.521 1.832 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1539296083 KUZXOOXWMYISJK-SFHVURJKSA-N 434.610 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539327666 COCWGPBPXPLGEP-GOSISDBHSA-N 443.548 1.752 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539635991 IQVMMAYDQFHWBG-DYXWJJEUSA-N 430.597 1.955 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539981675 IHQSVURMWHZFEM-MRXNPFEDSA-N 444.565 1.448 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1547703857 KFUWXWXNNVCVNW-QFBILLFUSA-N 444.609 1.389 30 10 IDEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1557110804 RPUJSLSAJHOOPJ-CFJPQMKISA-N 436.511 1.885 30 10 IDEE Cc1ccn2ncnc2c1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1562863901 DXIGTECLOLLUGT-UHFFFAOYSA-N 425.474 1.448 30 10 IDEE C#CCN(C(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1563309446 OOBNGGUUVARSLV-AWEZNQCLSA-N 437.522 1.288 30 10 IDEE C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COP(=O)(O)O 1565504201 JDOZJEUDSLGTLU-VMNLXTRJSA-N 440.429 1.675 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCO[C@H]3CNC(=O)OC(C)(C)C)CC2)c1C#N 1567645689 DMHOAACYKZZOCH-RDJZCZTQSA-N 432.525 1.179 30 10 IDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]1CCCN(O)C1=O)C2 1569676185 OVWZAQQUYNIDOD-ZFWWWQNUSA-N 435.477 1.866 30 10 IDEE COC(=O)Cc1ccccc1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584880059 MVOAVOWKUHNDIK-LJQANCHMSA-N 434.452 1.795 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1587632000 HPQRODDLUBJVGX-IAGOWNOFSA-N 443.556 1.927 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1587823518 TVBFBACHBXULPE-MRXNPFEDSA-N 444.561 1.276 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1587842246 NYNMWGBDAZLEFW-GOSISDBHSA-N 443.577 1.979 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](COC)C1 1587856641 ONWUVRSFDAPYNY-IBGZPJMESA-N 425.537 1.717 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1588575164 ZJLXUVIRSIOGGF-HTAPYJJXSA-N 431.512 1.710 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccoc1 1588629157 ZKPGGMDOUMIPHR-UHFFFAOYSA-N 428.518 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1 1588899161 LNNGGYXQXRMTGL-HXUWFJFHSA-N 436.516 1.444 30 10 IDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1588992965 AQIOPYCUOWHOCF-UHFFFAOYSA-N 444.380 1.637 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1589493485 HOLXDTDJSJDVFP-TVFCKZIOSA-N 441.598 1.731 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1594962968 OIMNWJHDPSEBOL-PXNSSMCTSA-N 435.550 1.141 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1C(C)(C)C 1595831300 OWRKXILMTCVQES-QGZVFWFLSA-N 425.599 1.335 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)CCS2(=O)=O 1618589965 SCZWYUCUKSPODM-JZLYGMAVSA-N 445.419 1.601 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1618626266 UEFUJWPFWJWWPG-HFUDNHEJSA-N 429.525 1.064 30 10 IDEE N#Cc1nc(NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)ccc1Br 1626723704 DWTMWDJOUGAWKY-UHFFFAOYSA-N 434.254 1.415 30 10 IDEE CNc1cc(I)ccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1627265314 NEHLFYKEUWRQHT-JQIJEIRASA-N 440.241 1.589 30 10 IDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1629280408 XUBWXQSITZVULQ-QWHCGFSZSA-N 433.408 1.037 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc(C)cs3)CC2)s1 1629750915 FCDONLMVJZQPJP-UHFFFAOYSA-N 426.589 1.869 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)C2)C1 1630866102 WVEYATKRNSOOHJ-LPRCSBTHSA-N 449.470 1.907 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCC(O)CC3)cc1)C2 1632703544 LENLBDJLJPMAIE-IBGZPJMESA-N 425.510 1.601 30 10 IDEE C=CC1(CC(=O)N[C@H](C(=O)OCC)[C@H](O)c2cccnc2)CN(C(=O)OC(C)(C)C)C1 1635488171 QITFSASDVSFPAR-ZWKOTPCHSA-N 433.505 1.976 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1637215549 ZHNPTPCVOIURHU-WBVHZDCISA-N 427.567 1.614 30 10 IDEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1640006489 HANIWAMUXGFSAZ-HXUWFJFHSA-N 426.542 1.612 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)C(=O)OC(C)(C)C 1640036984 PNYQLBDVIFHLKU-UHFFFAOYSA-N 442.563 1.155 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(F)(F)[C@H](C(=O)OCC)C2)ccc1F 1641786973 GJPPWAPCBAZEHL-ZDUSSCGKSA-N 434.436 1.951 30 10 IDEE N#Cc1cccc([C@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C(F)(F)F)c1 1643304172 DVZXRGHFQMMDHE-HKUYNNGSSA-N 438.450 1.991 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN2CC(F)(F)F)s1 1645008896 FBBORVOIADVYOS-GFCCVEGCSA-N 425.498 1.898 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)c2ccc(Br)cn2)cc1 1645319477 HBMABTDBIFDYLG-UHFFFAOYSA-N 436.287 1.630 30 10 IDEE COc1ccc(S(=O)(=O)NCCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1OC 1645737532 GTQZTRURIGLSIT-UHFFFAOYSA-N 438.502 1.237 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(CC(=O)OC)c2cccnc2)s1 1648315629 TUWYAVFAFRTFRS-IBGZPJMESA-N 437.543 1.745 30 10 IDEE Cc1cc(O)nc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)n1 1654809880 HZTLZLMLOPCPLZ-QGZVFWFLSA-N 441.561 1.083 30 10 IDEE CN(CCC#N)S(=O)(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1662357563 HXVQKOWJDIVJHX-HNNXBMFYSA-N 427.531 1.030 30 10 IDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 1663993214 HIOSVADJIRCHKM-OIISXLGYSA-N 430.571 1.717 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@H]3CN(C4CC4)C(=O)O3)c(C#N)c2N)cc1 1683605050 KRKCCYSFYPBUFR-KRWDZBQOSA-N 437.504 1.850 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1684021049 CUEJFSQFPNXKFR-UHFFFAOYSA-N 427.427 1.774 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986511 RGQZMUFQZFEJIH-QGZVFWFLSA-N 444.561 1.129 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1689990515 PLGAOHZJMUQONF-HZPDHXFCSA-N 442.607 1.243 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)OC)CC1 1690144187 OXBYPRXQBBZRAA-AWEZNQCLSA-N 428.493 1.007 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690181166 PTMFBAZTQWXUSG-QGZVFWFLSA-N 443.577 1.917 30 10 IDEE C=CCn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1690653058 AJPVGTMEYSZRDS-JBYIUTFZSA-N 435.569 1.872 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690675364 YGIFVUBHJUGEFW-LJQANCHMSA-N 440.548 1.881 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)C1 1690709630 JENBTSDTPPWEPR-GOSISDBHSA-N 432.550 1.081 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1692742712 JZKLINJHYQMVBC-YJBOKZPZSA-N 433.534 1.492 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693516020 MHMXBNFCCUMFGL-PXBNPBHZSA-N 444.442 1.969 30 10 IDEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOCC(F)F)cn1 1696853352 ZJQQSQKGJBNILH-UHFFFAOYSA-N 430.419 1.495 30 10 IDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705535893 BWSPMYAWTQHSPJ-UHFFFAOYSA-N 426.546 1.271 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1705599277 XBOWUQQLJRLQPQ-LJQANCHMSA-N 432.532 1.194 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1705612223 CFWQVOBLCOWIPR-HXUWFJFHSA-N 441.601 1.739 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705641610 MPSUWLXVXFPXEU-DQRAZIAOSA-N 437.548 1.292 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCCO)CC1 1705646163 ANLFTEAFBUOUTE-UHFFFAOYSA-N 440.504 1.982 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc(C)c2)CC1 1705651376 UXEPYHIHMLPNKX-UHFFFAOYSA-N 440.573 1.785 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC(C)C 1705672294 RZPMQPDOOGNZRR-HXUWFJFHSA-N 448.549 1.326 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1722360362 TZGTURZNDZZTPX-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1Cn1cccn1 1722419180 QXPABZGYKRHJFG-UHFFFAOYSA-N 447.543 1.893 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722446869 ANVSLKOANHRYCP-BJLQDIEVSA-N 440.548 1.176 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1 1722466668 CCFZILZHPRSXFG-TWQKQJGESA-N 427.596 1.182 30 10 IDEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722610498 AOOFABYBNGLZHA-UHFFFAOYSA-N 437.508 1.255 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCC[C@H](C)C2)CCOC1 1728815180 CWPUAGZHBRPXOJ-PSHVLCQKSA-N 432.569 1.779 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1731140515 NKZQJAPKKZLGNX-WQXAEMSNSA-N 440.479 1.818 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1740550706 JKFHMKNQLCGOMD-TZMCWYRMSA-N 443.982 1.832 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCS(=O)(=O)N(C)C)c1 1740562890 RZURUJAWSBJGSU-UHFFFAOYSA-N 446.577 1.523 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1740645005 BUTRSGYRAMFWPW-IXDOHACOSA-N 426.521 1.258 30 10 IDEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1)c1ccccc1 1740853824 APQRVLPMUOEWET-MOPGFXCFSA-N 443.573 1.866 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1740913421 CODFZRMOEQYTGU-GOSISDBHSA-N 426.521 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCCO2)CC1 1740991131 PCPJPOQJIJELCG-IAGOWNOFSA-N 437.566 1.225 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CCO1 1741103606 BXZZWAFRRVAJRJ-HXUWFJFHSA-N 435.463 1.740 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748812381 UQIVSHNUQSQWIP-OAHLLOKOSA-N 443.558 1.483 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N1CCOCC1 1748916729 BCFKJSKQSBCVGA-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748937364 IJXIGYRVFKRLQE-GOSISDBHSA-N 442.545 1.612 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1749097558 CRGGDJUVSVEJDG-ZIAGYGMSSA-N 428.331 1.768 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1749116026 YQHUXAYTHLAPMW-RBUKOAKNSA-N 432.569 1.750 30 10 IDEE COCC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1749251649 HKGQSWUBPSIELY-UHFFFAOYSA-N 438.463 1.816 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)C1 1749657968 IOBSFZUMOOMEJM-UHFFFAOYSA-N 431.928 1.600 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749676773 CWTVTNNMHNCRRV-ROUUACIJSA-N 425.489 1.870 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@](=O)CC)C1 1749701313 SNUWLNMBADHPKP-WTPASJBYSA-N 442.549 1.471 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1751092751 BGDIPGZSRWOVLE-CQSZACIVSA-N 428.522 1.307 30 10 IDEE Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1751917893 OHDOYLVLKIOBBN-OSCRUYLVSA-N 429.525 1.102 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1760098432 SJNFYVRUWPAMDG-SJORKVTESA-N 441.561 1.639 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1760099968 OSPCMDNWRYJPER-UWJYYQICSA-N 432.546 1.862 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760129622 TYUOIUMXTUWQPK-UHFFFAOYSA-N 441.580 1.062 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760176700 RCFPHGCSWPXFAX-UHFFFAOYSA-N 436.560 1.475 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1760183309 AGOOKPHKQAMDOI-MRXNPFEDSA-N 428.493 1.677 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760184275 IJUQGWYFVXDSLI-SIKLNZKXSA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1760187683 LIDNWGFCLSBDJK-SJLPKXTDSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1760196430 NNWJLDIRSNRPBH-HSZRJFAPSA-N 428.581 1.029 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1760209653 GDYNDEWQCUTKEP-KRWDZBQOSA-N 429.546 1.546 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1760261351 KCLNVDPSUJJKRH-GUDVDZBRSA-N 435.594 1.141 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1760273697 ADLLBLIFMIIZJK-RDJZCZTQSA-N 441.623 1.508 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760489865 LSSQFGXVDOIQAW-INIZCTEOSA-N 442.486 1.956 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760552434 NKJZAIMSXQCHHP-OAHLLOKOSA-N 448.524 1.241 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1760555699 KYDKCANPKLJHSQ-MRXNPFEDSA-N 437.566 1.227 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN(C)C1CCCCC1 1761236132 XMHNIJUVRITDKH-HXUWFJFHSA-N 442.612 1.857 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1OC 1764991815 ARBJWWOXRNPSGA-GOSISDBHSA-N 447.499 1.992 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1767898792 SFFADBQRWMUJTD-KRWDZBQOSA-N 434.456 1.725 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ncccc1N(C)C 1767931816 BNZXJMRIMIQTMJ-UHFFFAOYSA-N 447.547 1.917 30 10 IDEE CN(CCC(F)(F)F)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1768829981 CLOQXISIMBQYFI-QSJBWMMGSA-N 441.414 1.144 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)C[C@H]1O 1769457389 JGTUBHXREHSCAZ-ZHALLVOQSA-N 441.488 1.125 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@H]2C)CC1=O 1769899870 GQJOSFHHDOGYBL-UZUQRXQVSA-N 438.532 1.663 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCCO4)n3CCOCCCO)CC2)c1 1770741037 TWIOVYIAIDRSMH-LJQANCHMSA-N 441.536 1.512 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)OC 1770763102 QTLZDTQNIUTBKS-DZFGPLHGSA-N 440.548 1.635 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2COCCO2)CCO1 1771535958 DRONDLHNCWYROU-UONOGXRCSA-N 437.298 1.570 30 10 IDEE COCC(=O)N1CC(OC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)C1 1850347140 BBLWJTGCPBAPCK-UHFFFAOYSA-N 426.448 1.862 30 10 IDEE C=CCN(C(=O)Cn1ncn(-c2ccc(Br)cc2)c1=O)[C@H]1CCN(C)C1=O 1851168879 ICHUCKJOZRIHLW-HNNXBMFYSA-N 434.294 1.042 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)nc1 1852477973 WUVNTAMSOZPACS-UHFFFAOYSA-N 446.504 1.622 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCN(S(C)(=O)=O)[C@H](C)C3)CCC2=O)cc1C#N 1854251471 PPWHTOGHRONUNC-IAGOWNOFSA-N 432.546 1.211 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)C(=O)[C@@H]1C 1854312816 ORSBEOOOCQGFRF-LPHOPBHVSA-N 435.546 1.484 30 10 IDEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1857016902 NGDPPRQQABGZKC-JKSUJKDBSA-N 431.514 1.247 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)CCCc2ccccc2)C1 1858335972 QOAIXVNRKJSYLO-LJQANCHMSA-N 433.555 1.873 30 10 IDEE O=C([C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCC2(CC1)OCCO2 1869929840 OFFLKASBLRIVGD-LJQANCHMSA-N 441.509 1.832 30 10 IDEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870561681 XUCRAMZIXIAENS-UHFFFAOYSA-N 433.516 1.259 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 1889438848 KIEIRXGKRVZVOP-DEOSSOPVSA-N 441.572 1.863 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C)s3)CC2)CC1 1889484584 DMGWZUHCDFVZLC-UHFFFAOYSA-N 425.620 1.867 30 10 IDEE N#Cc1cccnc1OC1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1891863938 BODYAYGRQGHFLN-UHFFFAOYSA-N 435.396 1.527 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986129859 IUIMWEDPMITVFI-XHSDSOJGSA-N 425.526 1.780 30 10 IDEE C#CCn1ncc(N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106019389 GZMGEHQFCMXIKN-LLVKDONJSA-N 427.299 1.421 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608772 PAXDGCWXASVBBV-NVXWUHKLSA-N 425.342 1.365 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255809515 YTAOFOUUXLDURZ-UHFFFAOYSA-N 435.330 1.652 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255855005 JOIASCUFHVBCPA-KBPBESRZSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](CO)C1 2256896251 XWCFTXNKKBGKTK-OAHLLOKOSA-N 437.321 1.938 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267271112 PZUJQDOKTPVKDJ-DLBZAZTESA-N 447.341 1.745 30 10 IDEE C[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267543363 FIGIIZXBJQLSSE-KBPBESRZSA-N 449.361 1.490 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267546595 YUDOPSUVIBADHR-ZIAGYGMSSA-N 449.361 1.347 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)=C[C@@H]1O 2268718938 WKPHGZACOYUDID-GJZGRUSLSA-N 445.325 1.904 30 10 IDEE C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)c1ccc(C#N)cc1 2286033415 SPZWWFBBGAIGST-KBXCAEBGSA-N 431.470 1.918 30 10 IDEE C=CC(C)(C)[C@]12C[C@@H](O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@@]31N(OC)c1ccccc12 2294829649 HHLNXXASUKFCCX-SXSPYAJSSA-N 435.484 1.659 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2337203814 CKMGGGNUOVOCTP-RBSFLKMASA-N 446.357 1.705 30 10 IDEE C=CC(C)(C)[C@@]12C[C@@H](O)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 96032081 HHLNXXASUKFCCX-XFVHAVEISA-N 435.484 1.659 30 10 IDEE N/C(CN1CCN(C(=O)c2cc(Br)sc2Br)CC1)=N/O 236328060 DLTRHCOIBZPQSV-UHFFFAOYSA-N 426.134 1.777 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CCO1 409482965 FYWAZWIXEGOBKQ-MRXNPFEDSA-N 429.340 1.036 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ncn(Cc2cccc(F)c2)n1 444114637 XGKZMHVSOVNOAN-HNNXBMFYSA-N 435.467 1.547 30 10 IDEE COC(=O)c1ccnc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 444936595 MAASKRJQVDLBDQ-UHFFFAOYSA-N 429.458 1.278 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 460392536 YTEQBNOZNMWWCZ-LPHOPBHVSA-N 425.555 1.194 30 10 IDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 472502984 PJJNPPLNESOGTO-GOSISDBHSA-N 432.362 1.709 30 10 IDEE CC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@]2(CCOC2)O1 478413037 BUFRJVDBGDIVCK-QFIPXVFZSA-N 447.557 1.755 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 484539135 CNHABTGMQQNHQB-CQSZACIVSA-N 447.607 1.229 30 10 IDEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 504495888 IJAHJFHJMIXNSE-UHFFFAOYSA-N 437.460 1.728 30 10 IDEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 508835551 SQIKPNCNIBBMKN-HOTGVXAUSA-N 429.498 1.815 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2OC)c(=O)n1C 513724950 NIJHNLCPYBTABR-UHFFFAOYSA-N 436.331 1.247 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC2)cc1 532642482 MTWSUQOUQOZUNE-PMACEKPBSA-N 432.546 1.035 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1CC(N)=O 533040315 XYOPUBXZEBIJMK-UHFFFAOYSA-N 444.516 1.329 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 542941613 CCQCSPNAGZPNFH-KNCCTNLNSA-N 425.832 1.498 30 10 IDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc(O)c1 546101891 DLLXNNGMXJKLTN-PXNSSMCTSA-N 428.514 1.666 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549276149 RVQGDFYJFOAGHT-MRXNPFEDSA-N 427.534 1.350 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=C)C)CC1 549638826 UNOWBWRZNJUCIJ-UHFFFAOYSA-N 448.531 1.594 30 10 IDEE CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 552451091 FLDASEQURRZAJT-UHFFFAOYSA-N 440.525 1.068 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 554036143 NALRTELQUZDFGL-HXUWFJFHSA-N 448.593 1.046 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccc2)CC1 555198142 LTJJOFYNBONDSN-UHFFFAOYSA-N 445.571 1.931 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 559649148 KEBPTVJTJDPDBB-MGPUTAFESA-N 436.915 1.445 30 10 IDEE COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)c2)nn1 577523498 VLNRDMDZRKLRQN-UHFFFAOYSA-N 432.444 1.675 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 580368694 BNYLHYBYOFRVJB-FQEVSTJZSA-N 428.470 1.511 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 582329339 MHLINFAUFXOHTK-ULQDDVLXSA-N 427.571 1.438 30 10 IDEE N#Cc1ccc(CN(CCN2CCOCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 586176500 JVMMCZUCAKXIDH-UHFFFAOYSA-N 430.486 1.990 30 10 IDEE CCOC(=O)CC(C)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 606348195 XFNPFRIKDJTZPM-DMLHXRSHSA-N 438.488 1.888 30 10 IDEE C=CCn1c(=O)c2c(nc(N/N=C/c3cc(OC)ccc3Br)n2C)n(C)c1=O 606629620 BXYPRACJIVRLEQ-KEBDBYFISA-N 447.293 1.837 30 10 IDEE Cc1ccc(C)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)c1 727415755 ZNWSPSPLMIYOKE-UHFFFAOYSA-N 435.505 1.471 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)ccc2I)CC1 728530428 DVMQTTUMNHAPHX-UHFFFAOYSA-N 425.270 1.107 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)CCN1C1CC1 732705768 HDCCWQUTVSQSAW-SFHVURJKSA-N 443.463 1.624 30 10 IDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 757177592 NMIZCRFZFICATJ-CABCVRRESA-N 443.533 1.701 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 774215360 FESHKOUCIUJDNF-HOTGVXAUSA-N 443.447 1.643 30 10 IDEE CCn1c(COC(=O)[C@@H](O)c2ccc(C#N)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 780207825 ZJYSCZJXOYXIIF-FQEVSTJZSA-N 442.497 1.955 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)cc2C1=O 780625289 ALQZCRWLSNCEJC-UHFFFAOYSA-N 441.465 1.289 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)n1 788695053 BQFPLYGOZHKSDJ-UHFFFAOYSA-N 425.532 1.066 30 10 IDEE CC[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]2(CCOC2)O1 794303605 OPYLJMAEAYCECK-TVTNDZMWSA-N 449.573 1.936 30 10 IDEE CC(C)Cn1c(N2CCOCC2)nn(CN2CCN(c3ncccc3C#N)CC2)c1=S 798229169 DAEWCHUXFCUPDR-UHFFFAOYSA-N 442.593 1.953 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 809910541 UPGSZEDBWMUQJP-KRWDZBQOSA-N 434.541 1.831 30 10 IDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccc(F)cc1 812749662 ANBOFUBMSGBVMF-NRFANRHFSA-N 443.500 1.783 30 10 IDEE CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 816290797 PYIWQRMTHKYXKW-UHFFFAOYSA-N 426.926 1.567 30 10 IDEE CC(C)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916694949 WTLHMRSANGPOJH-RELWKKBWSA-N 435.550 1.832 30 10 IDEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2O)n1N 1084205605 YKIDIAXUWDEWMY-UHFFFAOYSA-N 443.489 1.979 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1116556734 RXZUCSBMABQPFD-ZIFCJYIRSA-N 437.562 1.700 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c([N+](=O)[O-])c1 1124979347 IPERACVLSJEDNH-UHFFFAOYSA-N 436.490 1.357 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCS2(=O)=O 1134650658 QADRDZABGNQFQS-YDQHMYHOSA-N 442.534 1.263 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2ncn(C)c2Br)c1 1157332363 NFHWQCRGKOBPHW-UHFFFAOYSA-N 425.308 1.067 30 10 IDEE C#CC1(O)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 1179978532 KENGSYABBLHHTP-CYBMUJFWSA-N 437.370 1.600 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)NCCCC#N)CC[C@@H]32)CC1 1226132257 DTTDOYDWVLDPJR-SJORKVTESA-N 434.541 1.867 30 10 IDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1251341337 AEXDWWIUWZRVCM-CGTJXYLNSA-N 441.484 1.645 30 10 IDEE C#CCN(C(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1254374755 GAAAJSGNLLYCLI-DOTOQJQBSA-N 427.567 1.854 30 10 IDEE Cc1nn(C)cc1C1=NO[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 1264633903 FFFKWHZLTZYPCC-SMKFHGBISA-N 444.517 1.673 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1286376084 FEEQAYWLKBHGNK-QGZVFWFLSA-N 439.488 1.201 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1286377741 DZLZTLOGIJZSOR-UHFFFAOYSA-N 432.546 1.483 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCOC2)CC1 1286472626 UYGWTYXPZPLALS-HTAPYJJXSA-N 445.951 1.978 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1286527959 UZBZUHNAPDRWFU-HXUWFJFHSA-N 435.525 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286779555 JARJWDXJBNZMSZ-BEFAXECRSA-N 445.520 1.505 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1286793777 LWBPEKYTJLTRQO-DGCLKSJQSA-N 441.464 1.003 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286815972 BOPFSSKJSRNCQG-UHFFFAOYSA-N 444.623 1.940 30 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COc1ccc(NC(=O)CN(C)[C@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1307993630 IYFNLJVQHQTWAJ-WBVHZDCISA-N 436.534 1.279 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)c1 1309081728 QNGSBJWGABLERO-UHFFFAOYSA-N 429.473 1.960 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)ccc1OC 1316298054 SNKBKSFBGYGGFA-YJLNNSPDSA-N 431.468 1.927 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 1335692571 IZOXHVKJZAFGQE-KPOBHBOGSA-N 430.505 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnn1 1358876632 NZKRMCIAJFAUMF-INIZCTEOSA-N 442.549 1.335 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1358916088 ZTSVGRIAHPSJQK-UHFFFAOYSA-N 427.553 1.542 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1358930214 QBPCFQBWBUPOAQ-IBGZPJMESA-N 442.564 1.136 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)[C@H](C)CC 1358941731 VWDHHNWBOWGSJS-QGZVFWFLSA-N 432.594 1.995 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1358955896 VWZBMAQAPONPTM-KRWDZBQOSA-N 447.536 1.539 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358960611 IKCZWVIFLCQHDN-OAHLLOKOSA-N 428.543 1.780 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCOCC1 1359015365 RCVFJJVRMASTAK-UHFFFAOYSA-N 441.507 1.835 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCn3ccnc3C2)CC1 1359029769 HMEVMQTVWBMZPE-OALUTQOASA-N 427.553 1.216 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2cnn(C)c2)CC1 1359030947 LEGHEEANTCBMCG-QHCPKHFHSA-N 441.580 1.440 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)CCOC)CC1 1359036364 VBITUUQSFQETDO-NRFANRHFSA-N 440.548 1.124 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1359037015 RHFYMXBMBBCPEP-HXUWFJFHSA-N 441.601 1.757 30 10 IDEE C=C(C)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125810 UHSHOOOGDJDMKB-XHSDSOJGSA-N 431.541 1.839 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359232210 OZKCSHYQYMEJHI-JOCHJYFZSA-N 446.552 1.807 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359301649 FWMBJKVAYNZNGL-XMMPIXPASA-N 449.559 1.965 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1359320896 XLTUQEBGMHJLLS-FCGDIQPGSA-N 446.596 1.898 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC2CCN(CC#N)CC2)cc1 1443996214 CLPDEPZBXBSRHI-FPOVZHCZSA-N 448.589 1.286 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 1454294381 HPEOLFPFQDCUPT-OPAMFIHVSA-N 440.537 1.879 30 10 IDEE Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2=O)n(C)n1 1457162759 BTQWVJOCSKQIDN-YOEHRIQHSA-N 440.891 1.528 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 1463860751 WDTRFHQIUQKUJB-UHFFFAOYSA-N 437.474 1.816 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1468118594 VEZIOMSZXJWRNF-CVEARBPZSA-N 448.520 1.459 30 10 IDEE C[C@H]1CN(Cc2ccccc2NC(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1475982296 ATIKXYUURBIXDV-GASCZTMLSA-N 426.477 1.251 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3(N4CCOCC4)CCOCC3)C2=O)cc1 1478419797 DMCVTWFTGVJTOW-HXUWFJFHSA-N 441.532 1.234 30 10 IDEE CCN1CCN(c2ccc(Cn3c(-c4cnn(C)c4)nnc3N(C)C[C@@H](C)C#N)cn2)CC1 1502316796 RFNSGNHKGZSBGT-SFHVURJKSA-N 448.579 1.860 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1503266111 FSJBEDLDBSZODK-SFHVURJKSA-N 438.598 1.974 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504585209 HLOPXRCAXPULDE-ZWKOTPCHSA-N 427.509 1.037 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1507617055 QMAXMCMWHHKJAL-QZTJIDSGSA-N 448.568 1.377 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1507632969 QYQBYYGNYHPNPT-HOTGVXAUSA-N 447.586 1.469 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507640196 QBIFNDYYFOBSOF-PGRDOPGGSA-N 446.573 1.953 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CSCCS1 1507704081 ONNODVXDMHTGNU-APWZRJJASA-N 426.608 1.865 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CCC)CC1 1507732546 WJYPIRYBIKHIDB-VQTJNVASSA-N 448.637 1.200 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(C)C)CC1 1507733750 KYFJWJFXOGGQOQ-UHFFFAOYSA-N 443.596 1.210 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507784025 ZIKIAJGOCMLLKS-CJNGLKHVSA-N 436.358 1.744 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1508018367 CZNDATIASKSXSN-CVEARBPZSA-N 428.580 1.183 30 10 IDEE C=CCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OCC)CCOC1 1508067670 NJDHFKVGWWIOLS-NRFANRHFSA-N 426.525 1.356 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1536289311 JUCSWYVYCLKJBB-GOSISDBHSA-N 430.461 1.553 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1539225833 QIAOLSXRQHEXMU-INIZCTEOSA-N 446.558 1.605 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1539260321 OLPOBADXBUCNNN-DLBZAZTESA-N 428.537 1.851 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC 1539314964 ANGADLKORLCJIK-SSEXGKCCSA-N 446.602 1.470 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1539389829 DNJPYMLIELVWAK-DYESRHJHSA-N 429.521 1.876 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCC[C@H](C)C2)CC1 1539484644 XQRJFHZOVRNLAD-FQEVSTJZSA-N 449.603 1.962 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1539534017 XIDSLUDBGOUAHF-IRXDYDNUSA-N 437.566 1.647 30 10 IDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)CCOCC1 1540429202 IRPWDUUHTMTQIS-UHFFFAOYSA-N 438.546 1.910 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1540868393 CSQVHJAXFURAHH-INIZCTEOSA-N 444.503 1.019 30 10 IDEE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1540977632 IKOXVLOJEDOBIS-NRFANRHFSA-N 428.493 1.500 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1543739601 IISHHERKGYVHTN-ROUUACIJSA-N 434.562 1.216 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1547525509 ASDPBPRKIJXKPO-UHFFFAOYSA-N 448.531 1.826 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1554819442 CXHYMLXTRLFNDM-HOTGVXAUSA-N 432.550 1.974 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@H]3CC[C@H]2C3)n1CCN/C(O)=C1\N=CC=CC1=O 1555624648 NRMPMTGBMFKQBJ-XWOXCUHHSA-N 430.509 1.517 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1557383561 BFCXJZRCPXEXJG-FPOVZHCZSA-N 443.525 1.821 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)C(C)(C)[C@@H]21 1557815964 RLELJPVZXBKZTK-FVQBIDKESA-N 431.493 1.361 30 10 IDEE C[C@@H](O)c1cn(C2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)nn1 1567351738 APQKHNZQKMYZND-LLVKDONJSA-N 431.294 1.485 30 10 IDEE C#C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 1584708077 KBULZWQPYXPMHD-OAHLLOKOSA-N 432.299 1.978 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c1 1587440462 KBLAOKVNTHDKRZ-UHFFFAOYSA-N 444.532 1.671 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2ncc(-c3cccc(OC)c3)[nH]2)C1=O 1587502970 QJJYMSWTXHKEOM-QGZVFWFLSA-N 437.456 1.726 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1587861634 OWVCSTSDXAOECA-FUHWJXTLSA-N 432.550 1.388 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587921861 LGIMBLRWMWYSHG-MBSDFSHPSA-N 440.548 1.668 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588045938 UHKXSRYITJIHSD-FIKGOQFSSA-N 431.562 1.764 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1588140671 ZTFKZMFVHJVZDG-CVEARBPZSA-N 443.495 1.137 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588197988 BCTMTQSZZGYGDY-LJQANCHMSA-N 436.541 1.561 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccc2c(c1)OCCO2 1588245399 CGNFPJFMHAOAHE-UHFFFAOYSA-N 433.512 1.877 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1588292904 GIIJQRWGUFYUHY-QGZVFWFLSA-N 439.516 1.671 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)CCOC)CC1 1588837011 PJPPWMMGYQTNEZ-NZQKXSOJSA-N 441.532 1.333 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCCCCC2)CC1 1588849076 XYIQDHYYZXNLHX-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCSCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1589126017 VHBHIQMBZQAHPD-KNQAVFIVSA-N 449.621 1.598 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1589406483 XKQCOXSYKQFWCE-CQSZACIVSA-N 428.331 1.376 30 10 IDEE CC(C)Cc1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603553635 HWBXOJURPBCCKU-XUTLUUPISA-N 437.504 1.666 30 10 IDEE CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607489210 NZBPHGIIORZUKH-AUUYWEPGSA-N 435.484 1.203 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1611307958 JMZQWWFJGQUAJY-NXEZZACHSA-N 426.287 1.906 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@H]1N1CCOCC1 1612917516 MISCPMKBNNJXAW-NQIIRXRSSA-N 440.548 1.373 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(CC(C)C)C(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1616257341 HDJVRMGVNDUAEQ-JOCHJYFZSA-N 442.520 1.748 30 10 IDEE CCS(=O)(=O)N(C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132091 QRHBLALYHKXFFS-YUMQZZPRSA-N 432.333 1.897 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1620158516 BKMCLVSXVIHIFJ-IBGZPJMESA-N 445.545 1.779 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCc1ccccc1)C(=O)Cn1cc(C#N)c(O)nc1=O 1627366829 NFDNIQZUURQUQR-UHFFFAOYSA-N 441.488 1.417 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)OC)nc1 1629251883 PSFNXNCLCVAITG-MRXNPFEDSA-N 444.513 1.782 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1631265775 TVMPEIAVJGEJCX-IBGZPJMESA-N 444.557 1.772 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1632082601 CPFHBTRKEJXXQM-YCRPNKLZSA-N 426.510 1.225 30 10 IDEE CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1633904217 SWRYZWCITSXURF-INIZCTEOSA-N 434.562 1.217 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cccnc1=O 1635986072 PTHSYRGXYZQVPZ-INIZCTEOSA-N 431.518 1.047 30 10 IDEE CCOC(=O)CON=C(C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)c1cc[nH]n1 1636009405 AIUGAPLBCKKEGI-LSDHHAIUSA-N 432.502 1.721 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1640201916 QWUZWLAALSKXGS-UHFFFAOYSA-N 432.565 1.307 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1643599205 ICOPHNYCQFIZEY-LHSJRXKWSA-N 447.488 1.655 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(I)cnn1C 1644214110 JKXJAFNURLADIN-GFCCVEGCSA-N 446.289 1.948 30 10 IDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)cn1 1645240377 WGJGDHYVTBYROU-GOSISDBHSA-N 425.470 1.949 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1646112679 OBGBSKTWWZGETR-HXUWFJFHSA-N 427.526 1.007 30 10 IDEE Cc1cc(NC(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1654888659 CEXLTTUPWNAMNF-IGCXYCKISA-N 426.336 1.955 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 1671641034 HRSCXBXVTBUZNG-HNNXBMFYSA-N 444.517 1.514 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C(F)(F)F 1672543021 ZBAPQZXIUKBLHI-NWDGAFQWSA-N 431.419 1.494 30 10 IDEE C#CCC1(O)CCN(C(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1684431942 OPRSZLSQLKWZAN-MRXNPFEDSA-N 429.521 1.834 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1689852023 YRBOBRPFFDQSEP-RDJZCZTQSA-N 448.545 1.066 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2nccs2)CC1 1690671555 YRSUCBYBAASIPL-INIZCTEOSA-N 431.566 1.995 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)CCC)CC1 1690673719 BLVOQZOPQWUNHA-UHFFFAOYSA-N 425.537 1.451 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1690679096 KKNOTGZZJOINDD-MAUKXSAKSA-N 446.533 1.230 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690723082 HAPPNSZNRAWRAT-UHFFFAOYSA-N 445.593 1.880 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(F)cn1 1692762995 DMDJVKKZZCUJJR-AWEZNQCLSA-N 443.508 1.979 30 10 IDEE Cc1cccc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1693210540 HQTNYDVAZMWBGM-SIKLNZKXSA-N 426.521 1.994 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1695438289 HKRWEOZMBPDSDE-KRWDZBQOSA-N 436.476 1.612 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1695645291 FNRLPQAONRUTCJ-KRWDZBQOSA-N 441.536 1.285 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705564890 FEHYTVCBICGXFC-QZTJIDSGSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC1(C(N)=O)CCOCC1 1705578024 CIXPTOQKSCYCOB-UHFFFAOYSA-N 428.496 1.848 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ncnn2-c2ccccc2)n1 1705632167 WSKLMNBYXPLKON-UHFFFAOYSA-N 431.504 1.698 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705660298 RNQFGGBFFXAZOL-OAHLLOKOSA-N 428.518 1.151 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1705662100 QGPNHBXOCGUGSE-QGZVFWFLSA-N 441.623 1.604 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1705819600 PKZSHWCEWZCWCA-ZWKOTPCHSA-N 438.598 1.252 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1705903424 VHTFJQMTYPMWHU-GOSISDBHSA-N 443.523 1.797 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](OC)C1 1705932818 KXOMWGBSOMMQOX-MRXNPFEDSA-N 434.518 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1705933858 UBGKUULXCXWJHD-MRXNPFEDSA-N 431.562 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705934763 WNLWNBHDWMKRDH-SFHVURJKSA-N 434.566 1.557 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1710778638 MWTHFPBZMORCSG-NQDNANIMSA-N 444.536 1.909 30 10 IDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 1712713672 GIHQAYJLZIVTKY-JWRCQZCYSA-N 447.586 1.741 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722336633 YZNAIUGPMMZVKF-OAQYLSRUSA-N 441.561 1.862 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1722383386 HKOFRXGGEHKQBA-QZTJIDSGSA-N 445.520 1.075 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCO 1722394630 ZCDCBHPUSNQERT-UHFFFAOYSA-N 428.562 1.864 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1722412201 WVGCWZIZMVVPJQ-VGOFRKELSA-N 425.537 1.452 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(F)(F)Br)CC1 1722430071 WGHJBZOLNQSEJR-UHFFFAOYSA-N 447.328 1.939 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncn(C)n2)CC1 1722450073 WLLHMLBKGBIGEG-UHFFFAOYSA-N 448.531 1.042 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722501372 XVSVWYXRHBNJEG-BSDSXHPESA-N 439.582 1.581 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722628761 AXWUZGPONRYLRV-DLBZAZTESA-N 439.582 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC(C)(C)C1 1722728665 SZJANEDPDQXFMR-OAHLLOKOSA-N 430.596 1.407 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1723778617 HHEHVLYWLQLATH-WBVHZDCISA-N 436.582 1.930 30 10 IDEE Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1724366686 CTCBCWXZUHPUFT-QGZVFWFLSA-N 438.463 1.780 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CCCO1 1726724370 HWFUGZAEFILEQZ-GOSISDBHSA-N 428.537 1.922 30 10 IDEE CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1727842862 IZPBGAFWNXVXBM-KOFUXLBCSA-N 432.550 1.988 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1731013197 CXYHYEKSZSJGJH-KRWDZBQOSA-N 444.561 1.761 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@H]1C 1740537409 DAHZURALSUXXLJ-HTZUNMPGSA-N 446.577 1.544 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740547632 ZLCGNVJZINEOCX-GOSISDBHSA-N 431.548 1.778 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740620859 SJYQACYRXNZPKO-QFBILLFUSA-N 426.546 1.394 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622031 SLRGQOLHEGTDLY-GOSISDBHSA-N 430.578 1.774 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622614 ZSMYKWAOEJHWRN-GOSISDBHSA-N 444.605 1.785 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(-n2cccn2)c1 1740688097 MLGNJHBHRYPVHK-UHFFFAOYSA-N 434.504 1.116 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1740757487 PJJRFERCKUIUQM-PXNSSMCTSA-N 426.521 1.616 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1740957627 UZLUWMMVESFGPX-UHFFFAOYSA-N 440.529 1.682 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1748638313 MRJHNTKNYBPNQH-OAHLLOKOSA-N 425.493 1.862 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1748730002 BKVPFWUISWZGLA-QZTJIDSGSA-N 430.553 1.295 30 10 IDEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1CC(=O)N1CCOCC1 1748969679 XHLOYXFFVPLYKO-UHFFFAOYSA-N 443.573 1.824 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1748977862 KQVJUPFSLVLKKP-PMACEKPBSA-N 441.580 1.840 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCCCO)CC1 1748989552 NDEWUODVHJIUDW-HXUWFJFHSA-N 443.573 1.661 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc(CC)n2)CC1 1749010413 RNMPMXCRHAOFGO-INIZCTEOSA-N 441.561 1.262 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1749119026 MKRICOAPBJYZOU-VQHPVUNQSA-N 441.598 1.873 30 10 IDEE C=C(Cl)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749284811 ONDUDESOHHAVJO-QGZVFWFLSA-N 433.962 1.153 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1749342707 MLVJKEADFSOMAZ-DLBZAZTESA-N 442.607 1.407 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749352289 KGYBDPBMMLBTCP-INIZCTEOSA-N 438.598 1.634 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1749600102 QCPHPXGQCDRGNH-ZWKOTPCHSA-N 432.546 1.823 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](C3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682575 VRBJBLUOMJAGCV-WMZHIEFXSA-N 447.580 1.874 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)C1 1749694678 UQUZKCFVMMNOHE-IAGOWNOFSA-N 437.566 1.263 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749743976 CFVLXWLNYHZBQV-OWCLPIDISA-N 428.628 1.480 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1760184841 ZKFIQAONVBMUEO-LJQANCHMSA-N 443.573 1.594 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1760226971 PXRDHXSDGZJPNV-DLBZAZTESA-N 430.505 1.970 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1760263067 MJQXXXXQXRVVQR-GOSISDBHSA-N 448.618 1.110 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCSC2)CC1 1760389759 SOHMPRPFQIEISU-IRXDYDNUSA-N 441.623 1.911 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1760523095 MCJSHDYVDNGTBM-LHEBDHONSA-N 441.561 1.916 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccs2)C1 1760534583 BRXHCDSKWKMVHL-UONOGXRCSA-N 426.568 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H]1c1nncn1C 1760551893 VSQBKBJEQMDNRV-HNNXBMFYSA-N 431.522 1.917 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1760563885 HMSNWELFFLEVKE-UHFFFAOYSA-N 439.545 1.438 30 10 IDEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1767030528 GOFWXUBLKHZVEP-UHFFFAOYSA-N 449.563 1.788 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1768904169 XOKLLQCQRKPPAD-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CC1=O 1769899932 HRHCPHGNYDJWHS-UHFFFAOYSA-N 435.488 1.765 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCCCN(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772788629 CJWXGTZSVYXCRF-HNNXBMFYSA-N 431.445 1.647 30 10 IDEE CN=C(C[N+](=O)[O-])N(C)C(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 1851182568 UCJCLYDASXYVHT-UHFFFAOYSA-N 436.472 1.800 30 10 IDEE COc1cc2nc(Cl)nc(N3CCN(C(=O)c4cnc(C#N)nc4)CC3)c2cc1OC 1852300128 IRLNDZVFLPDAMS-UHFFFAOYSA-N 439.863 1.924 30 10 IDEE C=CCC1C(=O)NC(=NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccc(C)cc2)NC1=O 1853354636 LUUHRKGJWTWRAN-HXUWFJFHSA-N 444.491 1.883 30 10 IDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2=O)cc1C#N 1853920055 ZVOMIDLNLPUNEW-UHFFFAOYSA-N 425.466 1.475 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)COc4cccnc4)C(=O)C3)C2)s1 1856347082 LUFDMVQTJRNZPW-MRXNPFEDSA-N 425.514 1.339 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1 1856397888 NRPWPGCYVLZFBD-DOTOQJQBSA-N 436.509 1.342 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)CC1=O 1856905346 VWJMMVRDNDUEFF-KGLIPLIRSA-N 428.894 1.531 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)Nc3ccc(C#N)cc3)C2)cc1 1858376518 PAEFLLPXIANKMJ-KRWDZBQOSA-N 426.498 1.909 30 10 IDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862633791 QLGLEQNZRNEHAM-MLCYQJTMSA-N 442.380 1.988 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 1870098590 MHSBAKGROHIOLC-UHFFFAOYSA-N 445.457 1.974 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688811 LWFZJCKJVVYGSW-UHFFFAOYSA-N 448.531 1.796 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712798 VGFQYMQKDONPPY-UHFFFAOYSA-N 425.537 1.772 30 10 IDEE C[C@@H]1C[C@H]1[C@@](N)(C#N)Cn1cnc(I)c1I 1905356409 GGMGOPTYIVYPQP-BRDIYROLSA-N 442.042 1.969 30 10 IDEE C=C(Br)CN(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2010359051 BDVRHOMBTYEKIR-GFCCVEGCSA-N 425.345 1.778 30 10 IDEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060627176 GNBXSRLNZGQNFQ-HXUWFJFHSA-N 436.318 1.644 30 10 IDEE C#CCn1ncc(NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106025810 MKVKKPALFPLTGS-UHFFFAOYSA-N 427.255 1.125 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224092016 DWODHQOPWFLONR-NRFANRHFSA-N 433.314 1.939 30 10 IDEE C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243701582 FDYYKIFYUZSMHN-NXEZZACHSA-N 430.311 1.449 30 10 IDEE C#CC1CC(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)(C(=O)O)C1 2247537662 DKBJZQYJPZALLT-BISSLNBESA-N 429.517 1.995 30 10 IDEE CC(C)[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255649708 LRQRZEQQABGOGO-HNNXBMFYSA-N 436.362 1.998 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC1 2255844152 RMRKHGGPGRDBKX-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2256680194 SLHZVYCRDMWRDR-UHFFFAOYSA-N 448.354 1.504 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267113127 PNWUTCBMRZWDCQ-KBPBESRZSA-N 449.361 1.680 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267263116 AUTSXTDPNBAULC-CQSZACIVSA-N 449.361 1.491 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267263556 HQRDQYGCXZJZGX-WDNDVIMCSA-N 447.345 1.052 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2267269148 CPVDRCLDGZHDBB-OKILXGFUSA-N 447.345 1.053 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267506225 UVUQSECMFKUHAJ-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267515090 JLMANVPDJJHUMQ-AAEUAGOBSA-N 444.263 1.248 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267548465 SEVRMCMJAMESLA-KGLIPLIRSA-N 449.361 1.538 30 10 IDEE C#Cc1cccc(N(C)S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 2286006988 BGAQSGUMLMHMBV-IBGZPJMESA-N 430.482 1.902 30 10 IDEE C#CCOc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286056568 CSUCVPZXGPOSGY-SFHVURJKSA-N 432.454 1.820 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(O)cc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296943134 XHUSNXCKEGMKPH-GOSISDBHSA-N 428.397 1.731 30 10 IDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339443754 NOJXHPJDWKENGY-UHFFFAOYSA-N 447.341 1.517 30 10 IDEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc(OC)c1OC 59310860 LEGUAVRDYXAKMB-FBCYGCLPSA-N 446.493 1.741 30 10 IDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 409552765 MTBSKXNMUVGOCO-AWEZNQCLSA-N 447.483 1.598 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1 436220758 MFEYQBFQSQNZOS-MSOLQXFVSA-N 432.546 1.790 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC2=O)c1 464948810 AVNWJYGMQDNTHR-HOTGVXAUSA-N 435.488 1.382 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(=O)c2ccccc2)CC1 475552721 DHEUQDNTKNKFJL-UHFFFAOYSA-N 427.526 1.526 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](COc2ccccc2)C1 481532092 ICWCPTKRILQKAL-LPHOPBHVSA-N 429.498 1.531 30 10 IDEE C[C@H](Sc1nnnn1C1CC1)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 503673263 UKFGVCQTOOIBKL-NHYWBVRUSA-N 429.531 1.900 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCN1CCOCC1 522538436 GMJQMLHVRXOXCR-OAHLLOKOSA-N 429.542 1.262 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccc(C)cc1 539597996 XFARKBURBUXOND-UHFFFAOYSA-N 448.548 1.949 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](CO)c3cccc(Br)c3)CC2)o1 541983305 ITNCLJHEXVRVCL-QGZVFWFLSA-N 448.321 1.589 30 10 IDEE C=CCn1c(Cc2noc(COc3cccc(C(=O)NC)c3)n2)nnc1N1CCOCC1 546350031 ILAFPSJMIOXGFP-UHFFFAOYSA-N 439.476 1.213 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(CCO)CC3)nnc12 559814751 RUFTYUOSCPUHMX-UHFFFAOYSA-N 427.530 1.943 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C2CC2)c1=O 571388596 ZZZZDRKKFRERTF-UHFFFAOYSA-N 435.347 1.859 30 10 IDEE COCCS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 576619950 IMJLUXHEIIEMAA-UHFFFAOYSA-N 429.502 1.727 30 10 IDEE CCOCCOCCOC(=O)C[S@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586353248 WRQASCPUFRYKEO-MUUNZHRXSA-N 428.532 1.392 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1 589838935 LZTQHMRZTKNIJH-OAQYLSRUSA-N 438.507 1.997 30 10 IDEE COc1cccc(C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)n2nnnc2C)c1 603733334 LSCNKEPJQVTBFR-HXUWFJFHSA-N 432.488 1.389 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 614902621 HPWACKADMXBHFV-MRXNPFEDSA-N 440.521 1.588 30 10 IDEE C#CCN(C(=O)c1nnn(-c2cccc(Br)c2)c1C)[C@H]1CCS(=O)(=O)C1 729335988 YUYWLPCLTMCSCH-HNNXBMFYSA-N 437.319 1.601 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc3cnn4ccccc34)c2=O)CC1 729669129 JEVLIJSJKFQVID-UHFFFAOYSA-N 449.580 1.942 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCc1noc(Cc2ccccc2)n1 731689991 XMNJCVLEILPMCX-UHFFFAOYSA-N 426.454 1.832 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(OC(F)F)c1 734146966 SDYZEAGGRPBLGG-OAHLLOKOSA-N 433.436 1.725 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 750384416 HNMFCZHANOCMKQ-QGZVFWFLSA-N 441.465 1.538 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCS2)cn1 757369796 FPFRTJYOCDLDMG-HZPDHXFCSA-N 438.623 1.798 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Oc3cnccn3)cc2)c1=O 758072661 WZUOYUBXJYYALZ-UHFFFAOYSA-N 442.500 1.998 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758076317 GCPJVGZUXSSKMG-UHFFFAOYSA-N 430.873 1.132 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 767681454 WPVZYKAWIUOUQY-OAHLLOKOSA-N 440.481 1.405 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCn2ccnn2)c1 784127022 SPWMAVSWJAYSRN-GOSISDBHSA-N 443.577 1.676 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)[C@@H]1c1cncn1C 796608859 SATPGWIBUKYTIP-YLJYHZDGSA-N 443.529 1.628 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1cc(C(F)(F)F)nc(-c2ccncc2)n1 814853923 MSQQERGJDUUYCY-UHFFFAOYSA-N 440.411 1.854 30 10 IDEE Cc1nn(C)c(C)c1CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 914767605 LNGVBFCZUDMJIG-UHFFFAOYSA-N 431.562 1.995 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1C 916777621 MYILIQDATPJWHV-UHFFFAOYSA-N 435.527 1.442 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1132193445 ZIDXVHPJJAXREA-YWZLYKJASA-N 437.880 1.653 30 10 IDEE N#CC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(F)(F)F 1133828209 SXCVYOMHUXZSSP-SMDDNHRTSA-N 431.392 1.584 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)C1=O 1134232937 LMEDDQCSVFLMPP-SZNDQCEHSA-N 434.493 1.259 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1140678735 IADJYRSCBLZYPA-HUUCEWRRSA-N 445.463 1.634 30 10 IDEE N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1160873503 QFVYYVZDJOQUFM-UONOGXRCSA-N 430.983 1.906 30 10 IDEE N#Cc1cn(C2CN(c3ncnc4ccc(I)cc34)C2)c(=O)nc1O 1163739533 IBLLKKPESGYWSJ-UHFFFAOYSA-N 446.208 1.430 30 10 IDEE Cc1ccc(C(=O)N2CCCSC[C@@H]2c2cnn(C)c2)cc1S(=O)(=O)NCC#N 1179328819 HYLIVJFBCFYEKX-QGZVFWFLSA-N 433.559 1.851 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)n1CCO 1189977596 UCKARQRITTXGAW-UHFFFAOYSA-N 430.770 1.493 30 10 IDEE CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@H](O)c1cccc(C#N)c1 1195877168 SNQRVTBHIZPRBR-QFIPXVFZSA-N 426.492 1.816 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(n2nncc2I)CC1 1196124195 LDKATGYQZUTDNC-MLGOLLRUSA-N 444.321 1.963 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)c(F)c1 1233658833 VCVDPENNGQVRDS-UHFFFAOYSA-N 435.456 1.516 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2cncn2)nc1 1286302530 NKIJYFLINAQVBL-OAHLLOKOSA-N 447.528 1.752 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccc2c[nH]nc2c1)[C@@H]1CCS(=O)(=O)C1 1286397744 UMEUKIOLYIAIAF-GOSISDBHSA-N 442.545 1.560 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1286409051 HWJHBZVUPGDZIJ-IAGOWNOFSA-N 449.577 1.414 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286411456 VICKTZPHKMVXEN-LJQANCHMSA-N 446.477 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1286431168 MFTJNWXZYLUQIF-SFHVURJKSA-N 449.577 1.033 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1286458047 IWDKJDOZIMZTBU-GOSISDBHSA-N 435.525 1.800 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1286464899 GVJWFTMMDLJIQV-KRWDZBQOSA-N 448.568 1.615 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286497030 YZFDSWGPUPICTJ-ARFHVFGLSA-N 427.596 1.260 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286559842 BATHNPZIONFMOP-JQHSSLGASA-N 434.566 1.673 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1286610720 AGVXLHYDPQUSMZ-UHFFFAOYSA-N 431.459 1.887 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(=O)NC)CC1 1286639617 BACYXSZLOGDCFG-UHFFFAOYSA-N 432.550 1.488 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1286688864 UJKVDHNNBWKOBF-ZDUSSCGKSA-N 425.477 1.966 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286779557 JARJWDXJBNZMSZ-DNVCBOLYSA-N 445.520 1.505 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCCCCC2)CC1 1286786470 SXQBZPGMBVOXKT-LJQANCHMSA-N 443.596 1.624 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286787794 JOXGEOIHQVOVDT-LSDHHAIUSA-N 430.475 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1 1286787967 NOFZTIWUHGFDRY-INIZCTEOSA-N 433.534 1.127 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286820795 RWKJDJPJCNNPBV-LJQANCHMSA-N 448.593 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286821727 TVNFEBDQEHAOPQ-RTBURBONSA-N 443.573 1.493 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1288724445 AMPVNHVBKYPUTB-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE COc1cc(Br)c(OC)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1289201309 KHOUPSYSARAIFF-QFYYESIMSA-N 429.292 1.477 30 10 IDEE Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cnn1CC(C)C 1289228045 FBQNQICUSPNRIG-GJZGRUSLSA-N 436.586 1.836 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)cc1 1290399667 FNQMZCKDQZPFOV-NRFANRHFSA-N 431.496 1.733 30 10 IDEE C[C@@H]1CCCCN1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1291096313 BPWRJZXVGFOIEJ-RTBURBONSA-N 429.569 1.897 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1300271160 HEXJFBPXVRWVNO-GVDBMIGSSA-N 430.578 1.797 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300498533 LJJHIICINCHVGX-SIKLNZKXSA-N 446.548 1.796 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300501345 KAPGDFICSSAQTR-OXJNMPFZSA-N 434.587 1.827 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300540929 GUROMCRBYJUQAU-SFHVURJKSA-N 432.450 1.600 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCSC2)CC1 1300706454 MVRWYMYJKDSCAW-HSZRJFAPSA-N 441.601 1.695 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1300707164 WNBNRCYTXIATNB-WMZHIEFXSA-N 425.533 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(C)COC2)CC1 1300730613 CRPJZJGSAYUFPY-UHFFFAOYSA-N 441.507 1.999 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300776011 DMSYRQZBALWVJF-MRXNPFEDSA-N 430.509 1.576 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1300823247 AGLJKFAUWKOQNN-ZDUSSCGKSA-N 440.346 1.319 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1301297584 QHABFNHZURQPIW-INIZCTEOSA-N 434.541 1.735 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301491306 ORYYVQHJOWQBQK-QGZVFWFLSA-N 427.553 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1301585682 AZRDFQNPZARDAD-MRXNPFEDSA-N 447.561 1.145 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301923475 NPKMXSIKQNCUNM-RTBURBONSA-N 437.504 1.205 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1302052821 PWIGPIHSJMCLHG-OXJNMPFZSA-N 434.541 1.414 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CCCCCO)CC2)CC1 1307967427 KAXVVJCDXWGVSJ-QFIPXVFZSA-N 431.556 1.315 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OC 1309762272 RXPXGCUUQUIDRW-MSOLQXFVSA-N 440.518 1.451 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1314626904 MZVSIRQSGJZWKR-KRWDZBQOSA-N 425.493 1.437 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1314993658 SALWOPOBGAPWNG-JXLCAQNNSA-N 427.509 1.034 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CCC2(F)CCC2)C1 1316356013 ZSJYOTMXIFJNRE-INIZCTEOSA-N 440.545 1.633 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1358877381 CRMWOOLAEYIDBT-QGZVFWFLSA-N 445.589 1.917 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1358904040 RVOLFGUHFKPYRE-UHFFFAOYSA-N 440.552 1.721 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1358930340 SWPUSINRLFWNBX-ZACQAIPSSA-N 433.509 1.561 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1359203661 STPYKWIFLNGPSR-GOSISDBHSA-N 434.566 1.999 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1)C1CC1 1359251570 ORFWVPKDMIFUIC-WMZOPIPTSA-N 438.598 1.108 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCNS(C)(=O)=O 1359287129 OEPRAESVCAYVOQ-UHFFFAOYSA-N 442.586 1.564 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359297223 JHXSZXXFZPNEDT-UHFFFAOYSA-N 449.515 1.943 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359305389 BRYMBLNTWIOAAE-NLWGTHIKSA-N 446.596 1.851 30 10 IDEE C#CCOc1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1 1360374045 LGGNAINTDRTIAG-QVKFZJNVSA-N 434.514 1.919 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 1466802519 QPBRELFJAPEKIZ-UHFFFAOYSA-N 433.493 1.800 30 10 IDEE COc1ccc([C@@H](NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)C2CC2)cc1 1473034452 GMYFRWNYKDYKIW-QHCPKHFHSA-N 436.512 1.828 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1502238815 GIWYGEBTYNLNGA-AWEZNQCLSA-N 428.522 1.346 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2sc(C)nc2C)CCOC1 1502728133 GLAPUDGZRBJJQR-JXFKEZNVSA-N 432.550 1.975 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCOCC1 1507522699 XPIWUZIBZYMNQJ-SJORKVTESA-N 431.562 1.527 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCOCC(=C)C)c1 1507551710 YKAFUJVHNCHHOZ-LJQANCHMSA-N 436.516 1.878 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1507642416 UGQUEJQILZRUSU-JOCHJYFZSA-N 426.521 1.356 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)C 1507659697 CTXONHHQVBZBCW-OTWHNJEPSA-N 435.594 1.802 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc(C)nc(N2CCCC2)c1 1507702278 HUSIQUSHKCFXMR-UHFFFAOYSA-N 439.564 1.854 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCOCC1 1507709759 ZJCNEBMQAMBVQR-UHFFFAOYSA-N 430.505 1.590 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSCC)CC1 1507885100 RPWKXOVKOZEMIA-MRXNPFEDSA-N 429.612 1.911 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508078502 YGAJEECSTHPKQQ-QFIPXVFZSA-N 443.573 1.825 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1508089114 ANTLTTXRDDFAMH-UHFFFAOYSA-N 427.534 1.702 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NCCC)C1 1508118995 TVAJEXJNMTVWKW-OAHLLOKOSA-N 430.509 1.703 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C)n2)C1 1508127244 UGKLDRBTFUGSJL-DOTOQJQBSA-N 437.591 1.969 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCNC2=O)CC1 1508135180 ZDMIHHWPINEZAJ-UHFFFAOYSA-N 448.549 1.441 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1508423583 IABUMZFYJNZSSQ-LRDDRELGSA-N 431.447 1.731 30 10 IDEE CCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516687979 QTDUUYBGMGGLRD-WMZOPIPTSA-N 436.582 1.173 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 1517607398 BCNBBMNOFATKHG-HKBQPEDESA-N 443.577 1.825 30 10 IDEE COC[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518692561 DNZIQKJJEPTPHC-ISARSNTHSA-N 446.577 1.914 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1519578645 IQEWDTCJKFJMKM-YJBOKZPZSA-N 448.549 1.798 30 10 IDEE N#Cc1ccc(OC(=O)CC2(n3cnnn3)CCOCC2)c(I)c1 1530759158 ZLOBWWLQCOLGCL-UHFFFAOYSA-N 439.213 1.651 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CCN(C)CC1 1538520201 SJZKYKXAXUZHQR-HDICACEKSA-N 433.574 1.654 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539216440 RXVHDCJMHSIXLP-IBGZPJMESA-N 441.557 1.521 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1539219841 FYFBQYFBXDCRMO-DLBZAZTESA-N 449.602 1.920 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1539295551 CQKJFKDLZPHNDX-KRWDZBQOSA-N 440.573 1.673 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539592356 DFFPJAYPWUAPLH-UHFFFAOYSA-N 429.344 1.654 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCO[C@H]2CCOC2)CC1 1539874003 ITZCDQHEPVRLSV-RDJZCZTQSA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1540866693 WWWPAXHOOBPNSZ-CQSZACIVSA-N 446.895 1.550 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1540884450 PJNCBIVKGDLQQW-MOXWOTFGSA-N 436.553 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCCCC2)CC1 1540901769 ONVSKMOPCBEYEQ-UHFFFAOYSA-N 445.593 1.791 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1540910052 WBBJJOULSPFYFX-AWEZNQCLSA-N 446.599 1.086 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1541801834 FCQRLEAHLHWGGV-CQSZACIVSA-N 434.504 1.457 30 10 IDEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CC1 1541954067 BIPXPLGKAGSLJK-OAQYLSRUSA-N 444.561 1.449 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555792145 GKKHOMHQWCHVIB-INIZCTEOSA-N 439.501 1.110 30 10 IDEE CN1C(=O)C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 1558806119 FCOQCJULUFWHQF-DYVFJYSZSA-N 445.838 1.216 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H](N4CCOCC4)CC3)C2=O)cc1 1564547147 HQSAATCSLXVGNJ-CTNGQTDRSA-N 425.533 1.950 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCCN(CC(N)=O)CC1 1565641492 XMMQAXJARZKOCK-HXUWFJFHSA-N 441.532 1.412 30 10 IDEE C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C(=O)Cc1cccc(Cl)c1 1566125671 AXFBQJHZCCTKDG-CQSZACIVSA-N 443.891 1.166 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1585232650 PONKQMXIKLDKOZ-UHFFFAOYSA-N 426.498 1.840 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1588059598 QTDCYCDMZLYCRR-CABCVRRESA-N 433.500 1.351 30 10 IDEE C#CCN(c1nnc(COCC)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1588075143 YYROQBLSKMAHFT-IBGZPJMESA-N 437.610 1.563 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1588228860 MTHVWNPXWNWWSW-LJQANCHMSA-N 436.541 1.762 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588899179 MCPJFLBTPZITFG-AOMKIAJQSA-N 427.505 1.352 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1589060811 ZACSMZSPXFWIEL-SFHVURJKSA-N 426.546 1.628 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1589089586 SZRAXENMLROJHP-QGZVFWFLSA-N 425.518 1.900 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1589216614 TUXBXUMRIPUCFZ-VQIMIIECSA-N 441.623 1.745 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1589481854 CVUWCAMQDMVKPT-VQHPVUNQSA-N 441.598 1.655 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1589484726 VVYDTGFKNUIZPJ-ZCNNSNEGSA-N 446.596 1.556 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1595705653 CQRNFJNRXAZSQR-UFVMTTLYSA-N 435.488 1.648 30 10 IDEE N#C[C@@]12CN(C(=O)c3cccc(I)c3O)C[C@H]1CS(=O)(=O)C2 1597372409 WNZWMIGYAVPJHK-XPTSAGLGSA-N 432.239 1.007 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1606693999 WDFSNQAXSDAEHA-NRFANRHFSA-N 448.545 1.839 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1609506632 DSTWPGLVEVFOCL-MRXNPFEDSA-N 446.533 1.009 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCCN3CC(F)(F)F)C2=O)cc1 1611409484 HNLPKQUMBKHJGM-JKSUJKDBSA-N 437.422 1.906 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCOCC1(C)C 1614028497 GDPAZCZWJHATRF-KRWDZBQOSA-N 439.568 1.328 30 10 IDEE CSc1nc(O)c(C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1C#N 1616949801 ADVJKVAHBWMKOA-IAQYHMDHSA-N 435.449 1.962 30 10 IDEE 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C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1740550504 QLAWRVDIMSXHTJ-AWEZNQCLSA-N 443.533 1.380 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncc(F)cn2)CC1 1740598425 PQAGXCDYHRHAPN-WMZOPIPTSA-N 429.500 1.671 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@H](CO)O1 1740680466 CLRVHQRKIIPPAJ-LSDHHAIUSA-N 438.326 1.662 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2F)CC1 1740694288 FIPYAZIKKCHPMZ-FUHWJXTLSA-N 426.496 1.591 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1740900100 MJHVCDROZIYKIY-OAHLLOKOSA-N 440.595 1.861 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1741920579 MJGXJFAOWQVSQE-VBKZILBWSA-N 449.581 1.029 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1747660312 KMHFUWKAYDDASE-SFHVURJKSA-N 443.529 1.699 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1748571910 IBIQFBFQMVEHKE-NHCUHLMSSA-N 428.468 1.883 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748811083 BIAIXWRSIZEHBA-KRWDZBQOSA-N 444.561 1.711 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748812082 PMRXOWCOGBQBKT-MOPGFXCFSA-N 445.545 1.162 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)C(C)C)CC1 1749015200 AONSCZLTJWXOKW-FQEVSTJZSA-N 441.580 1.777 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)COC)CC1 1749114723 GHIPJTJVSDJZCZ-QFBILLFUSA-N 448.568 1.129 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749456713 KOKWRHKSQDAYPG-IRXDYDNUSA-N 427.571 1.235 30 10 IDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749460418 RNQCIEVRPGAXEN-QGZVFWFLSA-N 442.501 1.623 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1749487632 FYEUJAOURQFPTL-KRWDZBQOSA-N 441.504 1.754 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS[C@@H](C(C)C)C1 1749731283 AQCRIFZJUUSAHC-HUUCEWRRSA-N 427.596 1.408 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CC)C1 1749736714 NOMOHSHEXGEGOQ-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)COCCO1 1751306408 MIBBXXFLQJXKFR-FQEVSTJZSA-N 430.534 1.815 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)C(C)C)c1 1760128783 SHQHLEXFNMLVFN-OALUTQOASA-N 438.532 1.956 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1760189691 LBWHENDGQKFUSW-GOSISDBHSA-N 444.586 1.822 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1760224884 BYFWPUOXXCMDSA-OAHLLOKOSA-N 432.550 1.098 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760357533 KPVWCEAKZXIFAV-NHCUHLMSSA-N 432.613 1.979 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1760688850 PFFAHFVADMTTMW-HLIPFELVSA-N 439.582 1.882 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1761238619 UAKKANZFONZRTO-AEFFLSMTSA-N 437.504 1.198 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1763201082 GANSWBHGPRUIFK-SFHVURJKSA-N 442.545 1.356 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1766880644 MKHIPILMXLNPCY-UHFFFAOYSA-N 444.499 1.540 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCC[C@@H]2CO)CCOC1 1767424874 KPQJMPVYTWWRAO-NFBKMPQASA-N 446.596 1.907 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1767942821 RQSYKSGNHCBHHA-MOPGFXCFSA-N 441.536 1.459 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1769251315 CXZXHEFBXKRTFJ-RTBURBONSA-N 426.521 1.642 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1770159360 JAGXVKGOTUKNCJ-NRFANRHFSA-N 445.545 1.495 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)n[nH]2)c1C 1851360677 WGOSIFKCIUXBPA-UHFFFAOYSA-N 448.593 1.659 30 10 IDEE N#Cc1ccc(-c2ccccc2)nc1C(=O)NCCN1CCN(S(=O)(=O)C2CC2)CC1 1852895190 VCJIUKKCZZQTEE-UHFFFAOYSA-N 439.541 1.460 30 10 IDEE COc1ccccc1C(=NOCCCN(C)C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853403376 AEHGKYZACLVRKM-UHFFFAOYSA-N 446.529 1.798 30 10 IDEE Cc1nc(N2CCN(C(=O)CCON=C(N)c3cccn3C)CC2)cc(C(F)(F)F)n1 1853542461 BUGCNTBMWVYYQF-UHFFFAOYSA-N 439.442 1.518 30 10 IDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1853758646 KHHMKZWTVSEXMW-MSOLQXFVSA-N 436.578 1.191 30 10 IDEE COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@H]1C 1855937909 NKPQZKONAQYMNX-CYBMUJFWSA-N 431.445 1.768 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1856552612 IYUOVOOZWHZOAU-AEFFLSMTSA-N 430.530 1.304 30 10 IDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(OC)c2)cc1 1858964034 YPYOHIHJUMQQKW-UHFFFAOYSA-N 434.470 1.991 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O 1861518443 ZXJAATFWAUZVTB-UTKZUKDTSA-N 447.491 1.982 30 10 IDEE N#Cc1ccc(COc2cn(Cc3cccnc3)c(CN(CCO)CCO)cc2=O)cc1 1870348547 CCHBBXBFKBJCNV-UHFFFAOYSA-N 434.496 1.529 30 10 IDEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(CCO)CC1 1870569272 WMVATXBDNIQYQN-UHFFFAOYSA-N 436.597 1.444 30 10 IDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873593770 HJKKJJMQCMNLIM-CALCHBBNSA-N 428.537 1.293 30 10 IDEE C=C[C@H](O)CS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892220672 ICPWOHVQYTUXNC-XOBRGWDASA-N 445.493 1.940 30 10 IDEE C[C@H](C#CC(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902007832 URGTVYABBYUJHY-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE N#CC1CC(O)(Cn2cnc(I)c2I)C1 1928654339 GCAAXRYYWVMPBZ-UHFFFAOYSA-N 428.999 1.757 30 10 IDEE Cc1cc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)sc1C#CCN 2202281141 PWZRAWVVHDSHKK-UHFFFAOYSA-N 445.566 1.863 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247917298 AVEFYYPWRMLUMP-OLZOCXBDSA-N 439.343 1.464 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2248416107 MAVGEJWPUJCFLS-UHFFFAOYSA-N 438.359 1.987 30 10 IDEE Cn1cc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2255655690 PPTSTNNRTZHRGY-QGZVFWFLSA-N 430.236 1.002 30 10 IDEE CN1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@@H](CNC(=O)C(F)(F)F)C1 2255798322 SJPCXGINZJWQDW-ZDUSSCGKSA-N 433.280 1.824 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2255827701 ZWVJCXWCDHZRAG-CYBMUJFWSA-N 431.302 1.294 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255847984 UZIKFQWSLBAAOL-OKILXGFUSA-N 437.346 1.792 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2256065237 XBJUHQJYEHVZLP-KBPBESRZSA-N 432.330 1.904 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)n1 2267112483 HIPRTYRIZHEBLN-NRFANRHFSA-N 449.361 1.634 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2267132768 UCEACAYRLIBSRL-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)OC1(C)C 2267464599 PQKLKUZRQOCDDN-ZDUSSCGKSA-N 429.369 1.821 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522759 WHMJURGOOSJAAT-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)nc2)OC1(C)C 2267596631 PDKLPPGHOUHQPM-HXUWFJFHSA-N 436.365 1.585 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCC23OCCO3)OC1(C)C 2267704915 BYFBYEBIIUCWDI-CYBMUJFWSA-N 430.357 1.157 30 10 IDEE Cc1nc(NC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268638610 JORMSUDVJQUEIN-UHFFFAOYSA-N 448.329 1.252 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2315601546 FXSDJRWCLKLCBV-HNNXBMFYSA-N 429.282 1.119 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OC(=O)Cn1cnc2c(cnn2C)c1=O 21400003 WYNRYDNEIGTUHU-UHFFFAOYSA-N 432.234 1.768 30 10 IDEE COc1ccc(Cc2nnc(N/N=C/c3c(CO)cnc(C)c3O)nc2O)cc1OC 27548629 HGYXNOSBGMJJPB-LSFURLLWSA-N 426.433 1.533 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 33233787 WULOBIKGPPOTFN-UHFFFAOYSA-N 429.521 1.891 30 10 IDEE CC(=O)Nc1cccc(OCC#CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 90732076 QXKLXCIDYUWIAW-UHFFFAOYSA-N 429.498 1.708 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 409575431 RPMQYFIFROGGNR-UHFFFAOYSA-N 432.344 1.073 30 10 IDEE CC(C)CN(C(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 440615389 HPWUPFJINYZVCN-SFTDATJTSA-N 432.590 1.541 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 441208168 RAIWFELWCXYUFO-QHWILLEASA-N 431.464 1.886 30 10 IDEE N#CC1CCC(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 442739669 QPHQXXWEGONYSM-UHFFFAOYSA-N 434.518 1.460 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 465041469 HPJOAJFSBMCGRL-KRWDZBQOSA-N 428.514 1.896 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC(=O)N1Cc1ccccc1 466797587 VOYBGSIJRCDLJZ-OXQOHEQNSA-N 440.525 1.798 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(C3CC3)C(=O)C1)CCCC2 501916478 NKBSCNKHSQORFH-KRWDZBQOSA-N 425.533 1.663 30 10 IDEE CN1CCN(c2cccc(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)CC1 502071768 OSOZGQOBAVUUDZ-UHFFFAOYSA-N 447.499 1.915 30 10 IDEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 508820450 RJXHTFZYSQSHEU-CVEARBPZSA-N 429.498 1.815 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 508882222 WFOIDTFPIHZXFL-SFHVURJKSA-N 427.505 1.976 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 570664491 MDZSOVLMXIELBN-UHFFFAOYSA-N 443.475 1.968 30 10 IDEE CCOC(=O)c1cnc(N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)s1 577298171 ICOLWRXJOCBULS-UHFFFAOYSA-N 435.531 1.182 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC)c(=O)n1C[C@@H]1CCCO1 603798616 OOWBLQLMPCFXGA-KRWDZBQOSA-N 439.537 1.293 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCCO1 603800434 VZAHEJMCYYSZDX-MRXNPFEDSA-N 429.929 1.524 30 10 IDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1=O 604523549 CZQPFVGRZREVME-UHFFFAOYSA-N 435.408 1.829 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)c(F)c1 729670448 SFNHVPBRESCAHS-UHFFFAOYSA-N 433.468 1.243 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cc1C 730138961 FTDKUQFHEWKCBZ-SFHVURJKSA-N 445.589 1.581 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 732154890 VNUSLMJFLWYLTP-LAVFMPCWSA-N 437.422 1.959 30 10 IDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)c1 733679936 INCOCENVLCMFBT-HXUWFJFHSA-N 434.477 1.799 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)[C@@H](O)C1CCOCC1)CCCC2 740972097 LGUHNWLBRQJEBV-KKSFZXQISA-N 445.516 1.687 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 751791939 BOIWTODKSWTVKB-DQRAZIAOSA-N 439.516 1.390 30 10 IDEE Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 756039864 GUVATLIUUFMNGZ-UFOSLELVSA-N 446.305 1.925 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)c1 757210705 ZBLNFZFFEWNFIP-IWKHNONTSA-N 443.504 1.356 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1CCO[C@@H]1C(=O)O 757479455 LDCGRPNTZLLXRA-UNMCSNQZSA-N 434.448 1.887 30 10 IDEE CON(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760400152 GISYNCPECGSELV-UHFFFAOYSA-N 429.520 1.402 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1C[C@@H]1CCCO1 769636837 LRNXAKCGNLVLDR-INIZCTEOSA-N 442.585 1.848 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)C#Cc2ccccc2)c(N)n(Cc2ccccc2)c1=O 773449634 ADIURDBCFUNGTR-UHFFFAOYSA-N 431.448 1.438 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O 773655186 DSLAPDRBQPMDRO-DNZUHHBVSA-N 447.289 1.587 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 780203372 BQFHZDFRDKIKIC-ICSRJNTNSA-N 426.450 1.479 30 10 IDEE C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 789456480 PYTXLHYXXFXGAF-SLFFLAALSA-N 425.529 1.884 30 10 IDEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 792746389 LRRZWRVQQSDRTR-QAPCUYQASA-N 430.530 1.827 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(F)cccc2CC)c1=O 794647625 RTJXYNKXCSMLEA-UHFFFAOYSA-N 441.553 1.323 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 802474120 HGWVBKIONVEQMG-QBEKEKFNSA-N 425.489 1.046 30 10 IDEE C=CCN1CC[C@H](OC(=O)[C@@H]2[C@H]3[C@H]4C=C[C@@H]([C@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]45)[C@H]32)C1=O 811362723 FORSBYNFXGBBNI-CVSBZSRJSA-N 446.503 1.796 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1131841873 BDPAQFIDNQNEDO-OALUTQOASA-N 431.537 1.986 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1162426960 SHMXVGZQVRORBU-CVEARBPZSA-N 434.518 1.447 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1214354263 JKFWWSZJMAJKMY-IRXDYDNUSA-N 434.562 1.704 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1286299131 SLIDYHHQXFWSTL-CABCVRRESA-N 442.545 1.582 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1286407763 QQRDZZQJGXFEBN-NRFANRHFSA-N 432.528 1.183 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286409472 RGTAOAROGQQOHZ-UHFFFAOYSA-N 435.513 1.107 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCn1cc(Br)cn1 1286459202 LVWBPNVDEIDBSE-UHFFFAOYSA-N 447.341 1.814 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N1CCOCC1 1286463626 RDUUTPUTNWOMCB-UHFFFAOYSA-N 447.923 1.552 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1286582163 SGJPZUXPLGLECL-ROUUACIJSA-N 441.598 1.973 30 10 IDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1286618333 ZGNVRNKBIRTPDN-MOPGFXCFSA-N 447.561 1.550 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286780374 DZAYPBWZABOWFQ-SFHVURJKSA-N 431.585 1.227 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286783864 OHLVYOLNTRPVJS-UHFFFAOYSA-N 443.939 1.744 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1288505459 BRLNHESMQQJQDN-CABCVRRESA-N 431.522 1.489 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(CCn3cncn3)CC2)C1 1293933275 SLCRMIDKXFKKKM-UHFFFAOYSA-N 444.337 1.193 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C1 1296329949 OHEUZPDHBJTZQM-SJORKVTESA-N 436.513 1.319 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1297030546 WIKMZQAFDTXSOI-SMDDNHRTSA-N 438.424 1.233 30 10 IDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1297516049 MSZDFYJDRAJVNE-GOSISDBHSA-N 432.550 1.713 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1300309584 HXPKZLLNRLUVJL-GJZGRUSLSA-N 430.513 1.221 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300499733 WHIMQUKHSMHWPH-INIZCTEOSA-N 443.558 1.099 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCN(C(C)C)CC2)CC1 1300693033 QEHBCIXJFGRKTI-UHFFFAOYSA-N 425.581 1.274 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(C)c2)CC1 1300700662 UGQXJAKTUKOKLQ-GOSISDBHSA-N 431.537 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@H](C)C2)CC1 1300726564 PSPHCNLHSAPBKR-JENIJYKNSA-N 447.605 1.582 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1300805524 GLJCMHZDIUTCKD-FXAWDEMLSA-N 433.534 1.553 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1300850037 VORXDFLOHDOVHG-IMJJTQAJSA-N 426.359 1.848 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1 1301092264 BTYJACVFYWMMRE-UHFFFAOYSA-N 443.503 1.030 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301261956 MDMIBPKEUOGVCY-QGZVFWFLSA-N 427.571 1.583 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CCOCC1 1301271605 XPISEXDWOBYHFK-MRXNPFEDSA-N 447.609 1.890 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1302025889 TZTDUJMLWGREAH-JKSUJKDBSA-N 428.493 1.716 30 10 IDEE CC(C)(C)c1csc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)n1 1302041038 CAGUQZRMQWCGTR-KGLIPLIRSA-N 429.550 1.955 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(=O)N(C)C 1302105784 HSVRWHMYKHIIJF-VQIMIIECSA-N 442.520 1.540 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)cc1O 1302137907 UNYQAMOHBCUKHT-UHFFFAOYSA-N 435.225 1.621 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCOCCCO 1303355443 UXYUNEOWJONRCP-UHFFFAOYSA-N 438.532 1.981 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1307784621 QSSQDYUHGIPQIO-MSOLQXFVSA-N 427.954 1.496 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 1310258947 BWEXTCDUYWEEQI-UHFFFAOYSA-N 438.463 1.657 30 10 IDEE CO[C@@H](C)c1noc(CN2CCCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)n1 1322348183 ADVOEPMLNQWMCZ-LBPRGKRZSA-N 432.506 1.819 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358967716 QOPHAWSIRFRGJY-KSZLIROESA-N 440.566 1.054 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359131607 ZIQXZKIBLVFDTE-OAQYLSRUSA-N 442.524 1.086 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(CC)n1 1359281463 AKCOFBXHZRKTLT-CQSZACIVSA-N 425.580 1.886 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C[C@H]1CCCO1 1359294064 JFHFFRDYGZYXRH-QGZVFWFLSA-N 447.561 1.656 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359294267 PBZOIOJQGXKWFY-CQSZACIVSA-N 440.382 1.923 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCO[C@H](C)C1 1359329547 MGHCFAYLXTXJMD-MRXNPFEDSA-N 448.545 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359333376 VYTGWTNDXTWIPD-GOSISDBHSA-N 439.626 1.769 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359335682 RRQYQUORWIAIJA-APWZRJJASA-N 428.555 1.190 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1359347069 CZNVPVUOGIJJPT-MRXNPFEDSA-N 429.612 1.957 30 10 IDEE CC(C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCC(=O)N(C)C 1359715478 BWYTWKLARXDFBI-UHFFFAOYSA-N 426.525 1.943 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCc1ccco1 1359849228 ITMURGITLFCBLI-UHFFFAOYSA-N 448.531 1.979 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)Cc1ccccc1 1360247514 ATLFGZCIUQOQAF-HKUYNNGSSA-N 425.537 1.666 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1360287276 HMQNIPMHVRTLDX-SFHVURJKSA-N 438.492 1.554 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)cc1 1452356829 LRXKTSGJBVAUGF-UHFFFAOYSA-N 429.502 1.306 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1464912799 ODKPOUDNFNIRAO-IPJJNNNSSA-N 430.574 1.748 30 10 IDEE COc1ccnc(N2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)n1 1470671918 LXLDHFQLJNMFRU-UHFFFAOYSA-N 435.532 1.853 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 1471261756 VIIFECJFMFOBIC-QFIPXVFZSA-N 428.294 1.828 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1471821029 TUCCCOAENILXAT-LIRRHRJNSA-N 444.513 1.662 30 10 IDEE C[C@H](CC#N)N(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1473273990 VCDNXHDVQXGVNF-OMJMQIJPSA-N 446.554 1.967 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC(Nc2ccccc2C#N)CC1 1473682912 GMEJQAATDBCUEL-UHFFFAOYSA-N 443.529 1.729 30 10 IDEE C#CC[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1475838806 NSHYBFVTVFSCDI-HOCLYGCPSA-N 425.532 1.029 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494251836 CGKPRXISTUCACB-APFMSCDFSA-N 433.472 1.568 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)nc1OC 1507618027 GGWVYUVKUBWZJW-UHFFFAOYSA-N 426.502 1.800 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1507631174 MPWWMJMWUXJMAI-SFHVURJKSA-N 429.546 1.926 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNC(=O)C(C)C)CC1 1507721903 VERWUVSYGGCNIS-UHFFFAOYSA-N 440.548 1.490 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@H]2COCCO2)CC1 1507732438 MULDCEOWIRBDDW-NRFANRHFSA-N 441.532 1.426 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1507836093 WZCRCQWEWXKWQH-QGZVFWFLSA-N 427.509 1.623 30 10 IDEE C=C(C)COCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507847467 GXJQXNYLCANLAJ-YLJYHZDGSA-N 442.582 1.535 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 1507943086 WJSHYPSSDIYIIB-GOSISDBHSA-N 431.562 1.836 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1508090263 FTQMQPXVHNGGAD-QGZVFWFLSA-N 426.521 1.443 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCOCC2)C1 1508118129 WTPWSVQRPMBSKJ-JQVVWYNYSA-N 435.569 1.432 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508137284 YUGBRHCHCUYRJK-GOSISDBHSA-N 440.529 1.229 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508141639 NQUKZAXFIROGQI-ROUUACIJSA-N 438.594 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2c(ccnc2O)C1 1508145154 YFCTYGDAOONYSH-UHFFFAOYSA-N 440.529 1.528 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1508412617 CJGBGSSUXVJTRG-KRWDZBQOSA-N 446.577 1.667 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1508796681 OPZIGMHQKHMXHS-QGZVFWFLSA-N 440.504 1.607 30 10 IDEE CC(C)Cc1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509176998 BMBQIPDOFAYUCG-MRCUWXFGSA-N 429.569 1.970 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1514229228 RNAXKRYQDKLBRP-IBGZPJMESA-N 448.535 1.779 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1516041473 IBPDVSRFHGWHGX-RBUKOAKNSA-N 440.504 1.635 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1516860057 HCPUWXPMCQKBGV-YACGTDEYSA-N 442.589 1.742 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)C2=O)cc1 1521759074 GNMDIKUISMDFOL-OALUTQOASA-N 431.452 1.311 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1527210875 BCUKZOGUPNCJEA-OLIJMITPSA-N 444.517 1.225 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1539326463 VYIOSTMOYYTUCO-KRWDZBQOSA-N 437.541 1.356 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N(C)CC)CC1 1539462466 VDSHMFAQRSQLAC-UHFFFAOYSA-N 426.521 1.099 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cn[nH]c2)CC1 1539489588 VDXJERJIAOWEAT-UHFFFAOYSA-N 435.536 1.071 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1540523123 VSPHXMFAGDPLLJ-UHFFFAOYSA-N 442.382 1.649 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCN1CCOCC1 1540866184 FSEBUWORYVONII-UHFFFAOYSA-N 436.919 1.808 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1540870054 DLTSAXRUFXKMLC-MRXNPFEDSA-N 425.555 1.225 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCn2nc(C)nc2C1 1540905074 RSJPSQMKERYTFR-UHFFFAOYSA-N 445.524 1.529 30 10 IDEE Cc1cc(F)ccc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1542222537 HUKFJCKOZVSTIS-PBHICJAKSA-N 436.513 1.307 30 10 IDEE CO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1554621753 XFGSBIUVWDSKCK-QLFBSQMISA-N 441.458 1.373 30 10 IDEE COCCNS(=O)(=O)c1cc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)ccc1OC 1556446007 SLGGLHKRZFKLSO-WEVVVXLNSA-N 436.461 1.980 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC(N[C@@H]2CCOC2)C1 1558550553 JETASUNYPCVFGC-YLJYHZDGSA-N 426.517 1.982 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 1562401571 APMIXNWGNKNAKA-UHFFFAOYSA-N 436.490 1.447 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 1568773708 FCMCSSNDJKEWDW-JKSUJKDBSA-N 428.961 1.834 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1587620421 DSCVVPVFGAYTSK-SFHVURJKSA-N 449.559 1.762 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1ccn(C)n1 1588078116 BIDQVFVGNYNESV-UHFFFAOYSA-N 435.919 1.911 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1588138610 GORLRSDWAZGQIP-NRFANRHFSA-N 435.528 1.974 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1588314897 UMVMGGTYQRKCTJ-UHFFFAOYSA-N 435.532 1.956 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1CCCO 1589260022 XIWKFCKSAKCXPX-IHFIDZABSA-N 431.581 1.841 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 1594798229 XNBLPILHQVBZRK-UHFFFAOYSA-N 430.417 1.427 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595576969 DLRVBLKGELBDKD-QFBILLFUSA-N 440.504 1.271 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1595702745 DNVGYFGKPNSRKO-UHFFFAOYSA-N 445.273 1.943 30 10 IDEE CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1597951681 UUUCAIUEBUOOLN-INIZCTEOSA-N 439.534 1.664 30 10 IDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1618435659 BIFZJXQCZHKBOG-CRAIPNDOSA-N 441.433 1.989 30 10 IDEE C#CCn1cc(CNC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cn1 1618800772 RRZBCFUCGSBTNL-UYAOXDASSA-N 430.530 1.080 30 10 IDEE CC(C)N1CCN(CCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 1624893300 VDXWXTZYJQCNNE-ATJXCDBQSA-N 435.594 1.854 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CC(=O)OC)C1CC1 1629352833 SHSGNIKTTBNYFS-WBVHZDCISA-N 435.546 1.989 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 1629382674 FBLPSUAKIKGERP-NQCMUKECSA-N 428.917 1.859 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1630864206 HWALVZICWCOJHE-LJQANCHMSA-N 431.558 1.562 30 10 IDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1634049098 FHKZHUHOVCFXFP-MRXNPFEDSA-N 449.577 1.500 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CSc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1635701014 HWFLTAUMWIYUED-SFHVURJKSA-N 444.538 1.215 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1637186717 XQNHBTBVLPGURM-SJORKVTESA-N 440.587 1.976 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1639159477 PWHXWZKPYZVKIA-UHFFFAOYSA-N 439.560 1.964 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 1640564579 BJYJNGXIUNGHLC-OAHLLOKOSA-N 448.545 1.694 30 10 IDEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 1643351059 PXPMOUMODHFVHR-RJCAOGMDSA-N 429.502 1.854 30 10 IDEE CCOC(=O)[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H](O)c1ccncc1 1648266226 GVKVFOXBQZPGTM-PWIZWCRZSA-N 426.448 1.700 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@]3(CO)C2)n(Cc2ccccc2)c1C 1648446905 VHBXHFYWDWCRBL-XMMPIXPASA-N 437.544 1.342 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)ccc1F 1651402019 KCRRTHDEEYWPRJ-HOTGVXAUSA-N 428.482 1.283 30 10 IDEE CCc1nc(C#N)cc(N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)n1 1652157814 VZQPXJIMUZORPA-OAGGEKHMSA-N 428.493 1.929 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1652521855 XUNHTPZCMFJGSY-SLUIBLPYSA-N 425.551 1.857 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCOCC1 1663235920 SUVFFUZJUFFJFD-IBGZPJMESA-N 426.560 1.568 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)C1 1671494573 ALZDSIYDFNHQGC-USXIJHARSA-N 434.518 1.714 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)C[C@@H](C)O1 1679884927 FGUQLTSHLIQENY-ZIAGYGMSSA-N 425.486 1.201 30 10 IDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1cccc(C#N)c1 1687592851 CEWKGBMQGXDVRF-KRWDZBQOSA-N 427.530 1.981 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1689852162 BKPOKJNAIOVGKU-HOTGVXAUSA-N 433.534 1.360 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2cccnc2)c1 1689870195 FFZSNUJLJSCCSA-HXUWFJFHSA-N 443.511 1.923 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689940349 WQKWJPVALIRVII-KRWDZBQOSA-N 440.479 1.882 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1690119467 GKENYEBFKJLJMT-BGYRXZFFSA-N 437.592 1.983 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCSCCCO 1692218451 FNZIDLGFQNCQFH-QGZVFWFLSA-N 444.609 1.969 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cs1 1693353606 RLTCOSIJDISGBL-KRWDZBQOSA-N 439.542 1.111 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1694328161 WPNHYWBKNAOFMM-NDXORKPFSA-N 434.516 1.977 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CC[C@H](CO)O1 1696349995 UNOIMZLRWJGUHD-XUVXKRRUSA-N 427.505 1.804 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1705492046 KUGYTWHHVJIGDE-HOCLYGCPSA-N 431.518 1.865 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1705589513 RFZWRQVZXSBSQL-OAHLLOKOSA-N 435.500 1.872 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1705598199 DGIWAONNTGRPNM-GOSISDBHSA-N 433.578 1.510 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1705598745 PVMXOVNSSKYUKV-AVRDEDQJSA-N 444.557 1.761 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO 1705717467 KVBUTCDANMQBAE-ROUUACIJSA-N 425.599 1.429 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705890153 ACJOHHFRSKSFSV-GOSISDBHSA-N 430.553 1.298 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(=O)OC)C1 1705907793 XPNBOTSMVLUJJK-SFHVURJKSA-N 436.516 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705934123 BSSSPEIDBCFEAE-DYESRHJHSA-N 447.561 1.634 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC(F)F 1706115984 KIHIWJYJSHPHLB-UHFFFAOYSA-N 432.479 1.550 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2cccc(Cl)c2)cn1 1711251338 FMVYPZRWHWQHSV-FXAWDEMLSA-N 427.896 1.968 30 10 IDEE COc1cc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1711671114 JMPOFZYKTSIYSW-FUHWJXTLSA-N 429.477 1.286 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1712094104 APBRKAWCTPLMMG-RTWAWAEBSA-N 440.548 1.637 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCS(=O)(=O)C1 1722302891 LRYSVUXTRWKXQM-HRAATJIYSA-N 448.545 1.263 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccnc1)C(C)C 1722373800 QTTLJQLMZUANKI-HKUYNNGSSA-N 428.562 1.796 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1722380130 FCKFBQGBDCIBGC-OSPHWJPCSA-N 446.511 1.288 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722383727 QQGMVRYLORIYRJ-PMACEKPBSA-N 426.565 1.188 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(C)COCCO2)n1 1722427861 PBRMTGMLSUEPLP-QFIPXVFZSA-N 430.553 1.864 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(N)=O)C1 1722493722 ZHOUGEATKFKKPD-UXLLHSPISA-N 425.493 1.218 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722694096 LCKJPADRYBPCSC-KRWDZBQOSA-N 435.532 1.812 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722695133 ULFJUDIIZKIVHA-SFHVURJKSA-N 440.548 1.999 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722725873 SKUVGAJRLMMKDP-GDBMZVCRSA-N 425.555 1.021 30 10 IDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722740496 PDYHUQFWVIDSAB-UHFFFAOYSA-N 438.579 1.715 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1 1729545385 DUNAWULFQSJJSA-UHFFFAOYSA-N 428.518 1.562 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)C1 1731182716 USWYEYGXZXGCNT-SFHVURJKSA-N 449.468 1.331 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740636143 UPRJSSHFHCSVLU-MRXNPFEDSA-N 431.949 1.953 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)CC1 1740691154 WAOWEYIFMDGXOT-LJQANCHMSA-N 444.605 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(COC)CCC2)CC1 1740700474 AWVPGZWAYPIDCN-UHFFFAOYSA-N 430.553 1.199 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCn2cnc3ccccc32)CC1 1740707704 MZESCWLLDUBREP-UHFFFAOYSA-N 435.532 1.830 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)COC)CC1 1740756074 FMTLABXFPIHOHF-XLIONFOSSA-N 428.537 1.560 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(N)=O)C1 1740951904 QBCGIOLTKQIUME-DLBZAZTESA-N 426.521 1.649 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1740960687 XXQPOZGOVSBTMS-MRXNPFEDSA-N 444.511 1.559 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740961117 MIKGPIDWKXNCMO-MRXNPFEDSA-N 446.502 1.754 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740985204 DHLMBKJHPPMXHF-KZNAEPCWSA-N 425.599 1.549 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)CCOC1 1741722726 HGZJPWQBXURVSY-GOSISDBHSA-N 444.458 1.737 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)C1 1741982937 BQUKSEVGPGWFRW-VQIMIIECSA-N 434.522 1.382 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCOCCCO 1743232775 GHNNZBDKGIYOOZ-INIZCTEOSA-N 426.525 1.006 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1743887622 RENBHHATIYOFIS-KFKAGJAMSA-N 435.532 1.836 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)C 1748648169 ZOQXRGITKXQDHC-OAHLLOKOSA-N 445.593 1.919 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1748903326 XDFZRJYQWHVQCR-HXUWFJFHSA-N 432.528 1.912 30 10 IDEE C#CCN1CCN(c2nnc(C3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1748990019 FTEABJYXQZOIKX-KRWDZBQOSA-N 426.487 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OC)C(C)(C)C)CC1 1749009903 XFTUZSHOXKOEKZ-GOSISDBHSA-N 425.537 1.762 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1749473659 MMTVPNFPQKONQE-QGZVFWFLSA-N 441.351 1.879 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1749649983 FTKLDVFWPZURBN-QGZVFWFLSA-N 426.496 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749660029 MLSYQBQHZXKNIE-QHCPKHFHSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749681098 WYMOZOSTUHEXKV-MRXNPFEDSA-N 444.511 1.793 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749683105 JDVDPSCDADGOFJ-GOSISDBHSA-N 440.504 1.100 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)NC)C1 1749696524 VDLYXAYPZPBMCR-INIZCTEOSA-N 436.494 1.184 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749721406 IVBRQWTXNWMNNJ-YLEKHRKWSA-N 428.493 1.437 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCn2cc(C)nc21 1749821673 DVJANZJFWKHLPK-SFHVURJKSA-N 440.552 1.963 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1749911494 NBZVOLKYNOYZFM-UHFFFAOYSA-N 449.519 1.087 30 10 IDEE CC(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1750036046 YVDAVOHJAYERFH-QGZVFWFLSA-N 445.531 1.848 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1760097350 DBHFGFLAAFGTAQ-HOTGVXAUSA-N 427.534 1.580 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1760216515 QLUIYVMQGDMBNP-GOSISDBHSA-N 428.496 2.000 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1760219665 KJXLFQKDWQBURT-GOSISDBHSA-N 426.546 1.540 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1760252790 KGMZQLCWGSGYAU-JTSKRJEESA-N 425.489 1.355 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2F)CC1 1760261254 JKDFEOHDWJFEEY-SFHVURJKSA-N 431.537 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCS2)CC1 1760268909 QZJJHPCKHXKZDC-IRXDYDNUSA-N 430.578 1.481 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1760288482 DIBHAXFUFOZPJS-VBKZILBWSA-N 445.549 1.282 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760523291 SKCVSAXXUAIWMX-UHFFFAOYSA-N 435.536 1.815 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1760526343 LNIBZJDWHQEDSP-GOSISDBHSA-N 436.520 1.938 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N1CCOCC1 1761872000 CMVNIKQFUIJTBM-QGZVFWFLSA-N 438.536 1.244 30 10 IDEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1765204295 IGXBYMWYQLPNPD-ZFDMEJTGSA-N 447.565 1.275 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1766615964 BMZAGQIXKHWCLU-OAQYLSRUSA-N 445.545 1.780 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCSC2)C1 1769064170 FVFMXZYUCPNZLV-LAUBAEHRSA-N 428.562 1.737 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1770190167 VVHRLMOBBXVSMQ-WMZOPIPTSA-N 425.493 1.284 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2Cl)nnc1N1CCOCC1 1770830746 AWVUKJRBSRRFLO-HTXNQAPBSA-N 428.880 1.962 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1771347118 AWCRWURQMRSLAP-QFBILLFUSA-N 433.559 1.308 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1771356316 FSSNBAHZYZCIPW-SFHVURJKSA-N 444.561 1.020 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1772660276 XREMDKQFLJANCD-QGZVFWFLSA-N 447.561 1.517 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN(C)C1CCCCC1 1772845276 SSGVFVNTDBBAPS-MRXNPFEDSA-N 437.614 1.893 30 10 IDEE C[C@@H](C(=O)N1CCC(N2CCC(C#N)CC2)CC1)N1C(=O)c2ccccc2S1(=O)=O 1849060304 ITZSXSRPIQRHEI-HNNXBMFYSA-N 430.530 1.446 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)cc1 1852624831 BBWCGHGMRNYFQB-UHFFFAOYSA-N 429.498 1.730 30 10 IDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 1855747466 RLOXFGVPTCQFSO-WOJBJXKFSA-N 429.542 1.580 30 10 IDEE CN(C[C@H]1CC(=O)N(C(=O)c2cncc(Cl)c2)C1)C1CN(c2nccnc2C#N)C1 1856261931 FMZLBFPGRLKQPM-CYBMUJFWSA-N 425.880 1.206 30 10 IDEE CCc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)s1 1858334437 HRUZNROYKBQWSD-CQSZACIVSA-N 425.557 1.924 30 10 IDEE COc1cc(C)c(C)cc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858336573 UGBFBLQGMZZQTN-KRWDZBQOSA-N 449.554 1.925 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862565359 VSZVKHHNJOHDBU-BBATYDOGSA-N 428.441 1.951 30 10 IDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689293 ZIEDVJBFVHTUGT-UHFFFAOYSA-N 449.519 1.191 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3CCN(CC)CC3)ncnc21 1873591940 XSDDMHJCEYVKQX-UHFFFAOYSA-N 439.564 1.502 30 10 IDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873594868 DYQYKYINUHBHOF-UHFFFAOYSA-N 447.543 1.810 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)c(F)c1 1891257953 PIVHBSWJDHJMGJ-UHFFFAOYSA-N 427.390 1.909 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 1891742580 GDULSJOSQITIAU-OAHLLOKOSA-N 441.469 1.234 30 10 IDEE COC(=O)c1cc(C(=O)OC)cc(N2CC(=O)C(c3nc(C)c(C(=O)OC)s3)=C2N)c1 2084270646 RVVNNSIOKIHLOA-UHFFFAOYSA-N 445.453 1.528 30 10 IDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCCO 2130103051 CXLNRYYYVWMQDI-CQSZACIVSA-N 432.523 1.759 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)C1 2247541673 YGJXKJODXFDMJU-DKXYKWQCSA-N 437.537 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248471039 NWBPLQKCLGJWAU-IBGZPJMESA-N 436.343 1.763 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCOC[C@@H]3OCc3ccccc3)[nH]n2)OC1(C)C 2255626608 IATUUFIHEHPHQK-AEFFLSMTSA-N 427.310 1.813 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255693860 JKAIBDZFZYZIMW-CHWSQXEVSA-N 435.334 1.005 30 10 IDEE C[C@@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255809751 CMWHOMONAVGRCS-ZYHUDNBSSA-N 447.288 1.971 30 10 IDEE Cc1cc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255825775 FNZASYWXCIXIMF-UONOGXRCSA-N 436.314 1.909 30 10 IDEE C[C@@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255841989 LLUMYHNRNIVLDQ-PWSUYJOCSA-N 447.288 1.971 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC2(C)C)n1 2267114708 CAFAIXKDVHDQNB-CYBMUJFWSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267265448 GGYNEWPTVFYENG-UHFFFAOYSA-N 447.341 1.340 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1 2267575892 KIGNRECVLNXIHN-ZSEKCTLFSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880949 DYPWRBMVLKMYBM-ZNMIVQPWSA-N 444.341 1.761 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881100 XNILFOBARJTFDZ-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315530779 BDKKQOXLAWAJJZ-KBPBESRZSA-N 434.346 1.847 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)O)n(C)c3ccc(OC)cc23)c1=O 2321656247 QJIGGJISCFWWOI-UHFFFAOYSA-N 445.457 1.113 30 10 IDEE Cn1cccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 2325917374 KQGTZZDZJBDRKG-MRXNPFEDSA-N 437.529 1.592 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2352400399 JNYGPQQHOWWPHD-UHFFFAOYSA-N 443.313 1.803 30 10 IDEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)ccc1O 21326528 SRAVHDXIMLNWDH-FSJBWODESA-N 441.517 1.951 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(O)c(O)c2)c(=O)n1-c1ccccc1 254289431 QOQOGZSQCDJDRK-UHFFFAOYSA-N 433.489 1.436 30 10 IDEE C=CC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 410069518 RRMHQNHPKPUSPX-DZGCQCFKSA-N 431.352 1.903 30 10 IDEE CN1C(=O)Cc2cc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 433395862 UDWLTWFGCNCAJW-UHFFFAOYSA-N 439.497 1.616 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCN(C)S(=O)(=O)c3cccs3)cc2C1=O 435378062 GXIVMUCWYZOTQD-UHFFFAOYSA-N 433.511 1.581 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)c1 440874025 BMQHRMCLMFROHE-UHFFFAOYSA-N 429.477 1.860 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 466760543 JWIVJHAUFXOSMQ-CRAIPNDOSA-N 429.521 1.487 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)CC1 474507651 XKHODFLVKHLGAT-NPHXMPSESA-N 427.593 1.772 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CCN1Cc1ccccc1 477009494 DIVFYXWBYKBSLU-GOSISDBHSA-N 431.539 1.415 30 10 IDEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 479125050 CDPHWDWLFLAFLI-SFHVURJKSA-N 427.548 1.554 30 10 IDEE CCCCCC(=O)NC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481217518 CWQXYPGFWFVGDC-MRXNPFEDSA-N 434.562 1.913 30 10 IDEE CNC(=O)C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 483425634 YCIKNOVVIZFKHR-RTBURBONSA-N 425.558 1.924 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508866275 ZBYWSPVJHMRSDH-IBGZPJMESA-N 436.516 1.990 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 555237794 OIIOSITUABYREF-GVDBMIGSSA-N 426.587 1.011 30 10 IDEE CC(C)N1C(=O)C[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 557994647 SDDCMGZNUHLJEH-QAPCUYQASA-N 433.875 1.992 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3cc(F)ccc32)CC1 568369645 YYKQQZMFDIONPF-UHFFFAOYSA-N 442.472 1.120 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3ccc(-n4cccn4)cc3)CC2)c1C#N 574790705 FVZLJJCOFRMCOE-MRXNPFEDSA-N 446.515 1.312 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC(N)=O)c2=O)cc1 589159359 OTTMJVSZYVOGRI-UHFFFAOYSA-N 447.516 1.352 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1C[C@H]1CCCO1 603797288 CNZGNMAOAGDXMR-MRXNPFEDSA-N 441.578 1.616 30 10 IDEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 603797311 DGXAQOPJWKRSDQ-MRXNPFEDSA-N 441.534 1.563 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1C 603798691 DJIOTJBZSPMZPO-UHFFFAOYSA-N 446.488 1.921 30 10 IDEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 603800262 QJBWWNYKASOVCB-KRWDZBQOSA-N 448.552 1.353 30 10 IDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 677952063 GDGXAXZSUSFQLU-GOSISDBHSA-N 430.530 1.466 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732649577 ZPNBMGMQAVFQOH-LJQANCHMSA-N 427.530 1.158 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)CCCS(C)(=O)=O 735924305 SMXGROAMLDNOHF-UHFFFAOYSA-N 426.310 1.863 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CCN(c2ccccc2)C1 741339980 CLJHORDQSGLKNH-XGNMISCSSA-N 426.473 1.089 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCCO2)c1=O 743729075 WKZKUZDUNSDOMW-OAHLLOKOSA-N 444.582 1.416 30 10 IDEE COc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 746702910 UVEGJARQYFXGNU-UHFFFAOYSA-N 444.513 1.587 30 10 IDEE C#CCN1CCN(C(=O)CN[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 755181122 HXAQIHKZOIVDTH-KNQAVFIVSA-N 434.943 1.897 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 757202740 XUYNHLLFRGJMNN-CAPFRKAQSA-N 442.563 1.540 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC(F)(F)C2)cn1 757916899 YJJRKCJYXVPQRD-AWEZNQCLSA-N 428.509 1.700 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 758076645 UTVXCNAJBDKAJW-UHFFFAOYSA-N 426.881 1.797 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](OCCN2CCCCC2)C1 769277016 QWRYXENMLYRCOO-SFHVURJKSA-N 448.589 1.609 30 10 IDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1F 781515653 BPTHAUKRJJDMCB-UHFFFAOYSA-N 437.474 1.606 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 784128233 NHFDLHGXBMFVQO-KRWDZBQOSA-N 436.965 1.989 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)Cc2cnn(C)c2)n(-c2ccc(F)cc2)c1C 786865755 VGTWNLKFTZHYCF-LJQANCHMSA-N 439.447 1.924 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3cccc(NS(C)(=O)=O)c3)CC2)c1C#N 788313808 PRCUBHOOMABJHJ-AWEZNQCLSA-N 445.549 1.565 30 10 IDEE O=C(OCC#Cc1ccccc1)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 791240550 BZLLKPOVKWOHNM-KRWDZBQOSA-N 438.299 1.683 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1Cl 807922823 XTCARMZPAKOHKP-UHFFFAOYSA-N 426.926 1.569 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(Cc2cnn(C)n2)C1=O 807937451 DHLQFIXTQDZRQU-WYOZQYPVSA-N 440.451 1.970 30 10 IDEE N#CCCNC(=O)COC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 811365101 WAOQZDJTOZBXBG-YEYGNOCGSA-N 433.464 1.039 30 10 IDEE COCCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 812127970 IZBRUULKQHVOQT-OXQOHEQNSA-N 446.515 1.977 30 10 IDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084386112 IXCATRMQMWPLGY-UHFFFAOYSA-N 441.473 1.646 30 10 IDEE O=[N+]([O-])c1ccc(C=NNS(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 1084476481 FDLYAQYCUHZUEZ-UHFFFAOYSA-N 435.418 1.652 30 10 IDEE C[C@H](CC(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1141343151 KQJMSOPVVDGHEN-KUHUBIRLSA-N 445.545 1.257 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1229291485 FIQQMYOJQKHFCS-UHFFFAOYSA-N 425.331 1.034 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)n1 1251516948 KWEKLWYPUYNHIA-UHFFFAOYSA-N 433.534 1.270 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1286386501 BNOWUOBGNOFNPS-LJQANCHMSA-N 431.562 1.150 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COC)C1 1286549247 WYCODIIQHKKECK-NXOAAHMSSA-N 427.571 1.342 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2)C1 1286788042 OUSGDAFMLKSAFJ-MSOLQXFVSA-N 445.545 1.060 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1286822276 CEGXDYITWPKTON-OAHLLOKOSA-N 425.555 1.005 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286822721 ODTVHASYPZXAEL-IBGZPJMESA-N 441.561 1.940 30 10 IDEE CC(=O)NCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1286953025 VGZWXTOOLAQZPQ-NVXWUHKLSA-N 449.556 1.851 30 10 IDEE N#C[C@@]12CN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1289203255 CWSLJJFCTWIOMK-GUYCJALGSA-N 430.935 1.291 30 10 IDEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC(N)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1290090913 BPDQEBQTCGZLEO-RLBWVDARSA-N 437.504 1.480 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)c1 1291814579 OMPDEFLQOZPKMG-UHFFFAOYSA-N 440.504 1.933 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1300483352 KXYQJYCHDAFEAI-KRWDZBQOSA-N 449.964 1.751 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300492262 MGQYPSCBGJVVLH-GOSISDBHSA-N 428.562 1.371 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1300511502 JNNIXLJNQXEPHY-MRXNPFEDSA-N 435.463 1.841 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](C)C1 1300579555 WZXWQJUBKORBQJ-FHWLQOOXSA-N 433.578 1.510 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(OCC)c2)CC1 1300681585 UYWHVKDVKRMNCY-UHFFFAOYSA-N 440.548 1.627 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnn(C)n2)CC1 1300691190 ZFWJJEALTJGONY-UHFFFAOYSA-N 448.354 1.096 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301033612 HKOVPDYPARDYDV-UHFFFAOYSA-N 426.912 1.857 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1301520358 XAHULWWXCHLSGC-UHFFFAOYSA-N 441.536 1.907 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)Cc2ccccc2)C1 1301553918 ABIBMQBNTADBOJ-RTBURBONSA-N 438.532 1.669 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1301773469 BJIHTBXRSUWVGM-OAQYLSRUSA-N 445.545 1.230 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C1 1302172761 FPAZVCCGPKJILD-LJQANCHMSA-N 426.521 1.973 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)[C@H]3CCC[C@H]3C#N)CC2)cc1 1302317898 FLRGQODJOVPDBG-ICSRJNTNSA-N 446.573 1.759 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1303042726 LQYVQZABPLRCTC-DLBZAZTESA-N 437.562 1.513 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)Nc3ccccc3OC)CC2)c1 1307602547 KWCFWGFZCACGMS-UHFFFAOYSA-N 449.511 1.581 30 10 IDEE C#CC1(O)CCN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 1307961017 FRKWUBZFWDXMOE-UHFFFAOYSA-N 439.965 1.913 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@H]43)CC2)o1 1308130949 UJWGDDCDYYFJBE-IAGOWNOFSA-N 430.509 1.197 30 10 IDEE C#CCN(C(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1312854276 FJCCBKMGJZHJKQ-FGTMMUONSA-N 443.491 1.849 30 10 IDEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1314047911 DYPGWHNVEYTLAI-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)COC 1316183394 DXXQVAYRZDYKLK-GJZGRUSLSA-N 430.509 1.820 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1F 1316491768 GCMXGKKSYPPECL-QAPCUYQASA-N 442.495 1.805 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1358930054 NIVCDTJPMYGITN-MSOLQXFVSA-N 435.594 1.726 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358962869 YLCDNFTYUNLONR-ZWKOTPCHSA-N 427.530 1.213 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358966517 QWFUADKEVHIIGW-QGZVFWFLSA-N 432.546 1.563 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NC 1359018339 MIKRDKDBPVHRQO-PXNSSMCTSA-N 429.496 1.917 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1359019609 ZRCRWEHPQVSTNW-HSZRJFAPSA-N 443.548 1.460 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1359227842 NRRJGMOEWWFLTP-JKSUJKDBSA-N 426.539 1.162 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359271111 LGRFXSNQLACDOO-OKZBNKHCSA-N 442.543 1.754 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCOCC1 1359294368 ROHCMPSMHQQBRW-UHFFFAOYSA-N 436.310 1.855 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1359310138 NMJHKWHIYGZYED-QGZVFWFLSA-N 447.561 1.366 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)S[C@@H](C)C1 1359334726 ORUSLKGUOFAZNL-GJZGRUSLSA-N 427.596 1.332 30 10 IDEE COC(=O)C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1446748070 ADWCAJVPCKBVPS-CQSZACIVSA-N 449.261 1.394 30 10 IDEE COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1455524722 CWAUEGRBUKHUAN-SZNDQCEHSA-N 432.498 1.729 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC(=O)N=S(C)(C)=O 1469265683 SKMIBWVFXHICSB-KRWDZBQOSA-N 434.518 1.763 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc(O)c4c(n3)CCOC4)ccc2c1=O 1471389344 BZARAXWOCHATGA-UHFFFAOYSA-N 425.470 1.370 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618681 CSYRZPSOYXAORZ-CQSZACIVSA-N 435.477 1.820 30 10 IDEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1475823935 MLQJWOVSWBHLCH-HNNXBMFYSA-N 440.522 1.172 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1 1478249544 CMTPHKYTEKONOO-UHFFFAOYSA-N 428.536 1.132 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1499969264 FICMBINOYIRWDH-XZOQPEGZSA-N 438.532 1.996 30 10 IDEE COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504831180 LAHKNUBZFHNSLN-ICSRJNTNSA-N 441.536 1.632 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1505078388 RZOKZCXLFYFFGT-AQRLUDHBSA-N 444.536 1.765 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCc1ccco1 1507525076 YCWKCXIAIQNFNY-HNNXBMFYSA-N 431.460 1.288 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1507745976 HVSPCXMCAIMRAM-XUWVNRHRSA-N 427.596 1.116 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507791577 NGUJPGBPQOELRM-UFYCRDLUSA-N 444.580 1.848 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CC1 1507883873 BELFIFJDANCDRL-MOPGFXCFSA-N 437.610 1.574 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC)CC1 1507885316 WXFQFYNIUKSJMJ-LJQANCHMSA-N 447.561 1.824 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(N)=O)CC1 1507945332 FWYJTJHBRUCFOX-UHFFFAOYSA-N 431.566 1.906 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CCCOC 1513972721 LSYQLOJNHJSJDG-IBGZPJMESA-N 425.537 1.500 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1cc(C)oc1C 1519325397 FWKZAUJDUWLWMW-LZJOCLMNSA-N 433.509 1.848 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1539044828 JMSGGLAXLANPJF-UHFFFAOYSA-N 431.504 1.846 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1539178333 GUZHNSFRDOXDCU-GOSISDBHSA-N 433.534 1.046 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539215836 JVQGBIBHTXUJEB-IPMKNSEASA-N 445.545 1.018 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2CCN(C(=O)OC)CC2)CC1 1539477150 IWBYLPBSLIUMKX-UHFFFAOYSA-N 442.564 1.990 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539847173 AUFCNUCTKLOFSC-INIZCTEOSA-N 442.607 1.694 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1540073793 SYWURWAMCFOXIR-SFHVURJKSA-N 433.578 1.791 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1540861755 FJJDUBSVXASJGY-UHFFFAOYSA-N 449.519 1.033 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540866959 GLXFSHNKHYCCMY-KRWDZBQOSA-N 428.518 1.132 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1540878227 RRTZGOAOBJRZFU-FDDCHVKYSA-N 438.532 1.805 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCCCC1 1541910937 GDNDNMGJINRQEN-KRWDZBQOSA-N 445.593 1.882 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCS(C)(=O)=O 1548188296 IFCVILPWDQWWNP-GOSISDBHSA-N 433.534 1.699 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1552920035 GLOOICRNBDBUCF-RBUKOAKNSA-N 445.545 1.636 30 10 IDEE C#CC[C@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1556832672 FSHLBFMTAOGJRP-GFCCVEGCSA-N 427.452 1.902 30 10 IDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1587847955 WMDYMUVSIUZBQH-INIZCTEOSA-N 433.516 1.961 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588030025 ODZMDSKCDGGRQZ-INIZCTEOSA-N 426.608 1.940 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1588050878 WWYFYSYZWGCYNX-HNNXBMFYSA-N 443.558 1.483 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1588314729 OVVOPGHXBRULAA-UHFFFAOYSA-N 431.504 1.804 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CCC(C)C)CC2)CC1 1588806399 PBGSFGBZNFYINH-OAQYLSRUSA-N 441.624 1.743 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1589110436 VPXOUTJMLLJESD-UHFFFAOYSA-N 447.609 1.351 30 10 IDEE C=CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC)c1ccccc1 1594543944 FQXKWLDRNZONHS-QZTJIDSGSA-N 435.550 1.969 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595556086 NEZYBMFRHDZXHR-NRFANRHFSA-N 428.924 1.683 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 1617364812 FKNNWVSNFNPCPF-HRCADAONSA-N 430.571 1.798 30 10 IDEE CNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1618835409 SCCDYBMGGQSTOJ-UHFFFAOYSA-N 426.506 1.608 30 10 IDEE N#Cc1c(CCCNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)nn(-c2ccc(F)cc2)c1N 1624381777 ZIOHGUPPJDUXIE-CVEARBPZSA-N 441.385 1.860 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1624813991 NKLYNJAGPHQEJA-UWVGGRQHSA-N 445.261 1.812 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1624817552 SGZSTNVRSZGMNZ-YLJYHZDGSA-N 440.481 1.903 30 10 IDEE N#C[C@H]1COCCN1C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1633529032 AQZLUBDGGFZKTI-YCRPNKLZSA-N 448.479 1.520 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cc(F)c(C#N)c(F)c2)CC1 1634795674 BUVIVAIZYRIPRT-UHFFFAOYSA-N 437.472 1.894 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1635713059 DTVNZSZWGTZTLM-LJIGWXMPSA-N 427.509 1.434 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2scc(Br)c2Br)CC1 1635993896 UFJKVZOXZLIRIF-UHFFFAOYSA-N 449.168 1.780 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1636771591 OJMWYHHOEXTLSC-OAQYLSRUSA-N 432.473 1.903 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1637215546 ZHNPTPCVOIURHU-DOTOQJQBSA-N 427.567 1.614 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)CCn1cc(C(N)=O)c(O)nc1=O 1637678907 WCOQNPOIJWGEML-UHFFFAOYSA-N 437.250 1.404 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCC4(CCOCC4)O3)CC2)cc1 1638753408 NDRZSEUMGFDVAE-GOSISDBHSA-N 448.545 1.302 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1638977275 QNXYMQCHKFSKPX-MSOLQXFVSA-N 436.553 1.528 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)c(=O)nc1O 1639332093 LEEJUAPMMLJVFR-UHFFFAOYSA-N 437.378 1.310 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC2(CC1)CCN2C(=O)OC(C)(C)C)c1cc[nH]n1 1639396855 RULWDYVXIKNNAG-UHFFFAOYSA-N 449.508 1.696 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)cc1 1640326063 HAAFSSBQLTVUHM-KRWDZBQOSA-N 434.518 1.450 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)OC)c1 1648091981 CBKXMMABTJXSAV-IBGZPJMESA-N 428.466 1.044 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)NCC#C[C@H]2CCCCO2)(S(C)(=O)=O)CC1 1648586725 RRUKEXXNWSGLFI-MRXNPFEDSA-N 428.551 1.489 30 10 IDEE CCOc1ccc(N(CCC#N)C(=O)Cn2nc(C(F)F)c(S(C)(=O)=O)n2)cc1 1652866595 FQGHCJQZYGGQTH-UHFFFAOYSA-N 427.433 1.965 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cccc(CN3CCS(=O)(=O)CC3)c1)C2 1653211175 RTLOYZUKFFDUGX-UHFFFAOYSA-N 430.555 1.631 30 10 IDEE CN(CCC#N)C(=O)CCN1CCNC(=O)[C@H]1c1ccc(I)cc1 1660469971 WYJYAEUMLZPTCA-MRXNPFEDSA-N 440.285 1.526 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1663768434 DJCZLHKPMQLGJD-SJORKVTESA-N 439.534 1.251 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 1664054643 AKHFHBYLIHHJCK-UHFFFAOYSA-N 440.469 1.126 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(CC(=O)OC)CC1 1671509696 BVHWVRFDVHRRNY-UHFFFAOYSA-N 428.551 1.994 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 1680685724 MNPJNXWBNKWXAT-OAHLLOKOSA-N 429.564 1.215 30 10 IDEE COc1cc(Br)ccc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1681643138 BDVLVNSCSLGSKP-BLLLJJGKSA-N 428.308 1.537 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCc3ncc(Br)n3C2)CC1 1685710911 LQCKCUZPUSUQNT-AWEZNQCLSA-N 430.310 1.759 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689986650 UOFMWLGYLRTLDM-GOSISDBHSA-N 439.541 1.967 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1690122260 LWLOWIAUFMCSKK-UHFFFAOYSA-N 443.573 1.783 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=O)NC2CCCCC2)CC1 1690142355 MGJDOUCPVREMKN-UHFFFAOYSA-N 449.559 1.755 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1690250343 GEXFPZLZVCGXBI-CRAIPNDOSA-N 437.591 1.850 30 10 IDEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690287475 DHYAERSFADTPKY-QGZVFWFLSA-N 448.568 1.920 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1690744079 JKLAMIBSLLGTOV-MRXNPFEDSA-N 441.623 1.452 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCC1 1691237474 SMBYPYDHYVCVAR-JKSUJKDBSA-N 448.524 1.230 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1692498431 FFWYIXYUFNYJMA-KRWDZBQOSA-N 425.537 1.645 30 10 IDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1695340145 DXFDYQKQFCLIRY-GOSISDBHSA-N 439.564 1.890 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)CC#N)CC1=O 1698078544 HEPFOMSPXLIOGC-GDBMZVCRSA-N 431.566 1.867 30 10 IDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705534034 XGUIXERKUDDXQJ-KRWDZBQOSA-N 429.525 1.785 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1705564048 KASFQOPLBFWEEQ-GCJKJVERSA-N 444.557 1.686 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CC)CC1 1705647921 LPXIHJMYYGAOME-KRWDZBQOSA-N 435.594 1.582 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1705754686 DCSYAFCHYVBXSH-HZPDHXFCSA-N 447.989 1.411 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1706850810 WVBXYKOKSONZPJ-DTWKUNHWSA-N 429.291 1.614 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1709901139 VNHCAQZIDWEZQF-QHCPKHFHSA-N 437.548 1.596 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCOCC2)CCOC1 1710456460 BIZBVUMZGLQYKI-RTWAWAEBSA-N 436.532 1.485 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1711147848 NQYRTQAVXLFZJP-UDJKBAMHSA-N 425.493 1.805 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1722326479 HWTOLQCPTMPECC-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C(=O)NC 1722330839 YCIVAOMZCYNNGF-HNNXBMFYSA-N 431.566 1.470 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722364011 WEFYGPRLGOJESN-JTSKRJEESA-N 444.557 1.741 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722384195 URDRMYKWSKPFIC-SJORKVTESA-N 425.455 1.508 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(OC)CCOC1 1722410192 VQLOHZSIBWMMDI-FQEVSTJZSA-N 432.550 1.503 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1722419879 DGTPUDPUQCXRNW-GOSISDBHSA-N 447.561 1.464 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCN(C)C1 1722420351 FXVBDBRFTGBPBX-XMMPIXPASA-N 434.544 1.954 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)N2CCOCC2)CC1 1722448542 VUGZOMFBVLWUPF-UHFFFAOYSA-N 442.564 1.150 30 10 IDEE C=C(Cl)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722558741 WZIJQAXBLXGHIT-FQEVSTJZSA-N 441.960 1.803 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1722689228 QOKKNRRXHDADAC-QRQCRPRQSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1722694797 JAHZETBAWFPZRJ-JOCHJYFZSA-N 443.504 1.260 30 10 IDEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1729603034 APNASSXAMPXYEH-QWRGUYRKSA-N 445.833 1.965 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1740533817 UNRQCLLLLJFUHN-RDBSUJKOSA-N 436.607 1.976 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625864 INVOPLPZTMCNJD-QZTJIDSGSA-N 431.562 1.897 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccn(-c2ccc(F)cc2)n1 1740639176 QYPJMHYWHGQVDP-HXUWFJFHSA-N 431.475 1.870 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCOC[C@H]2C)n1 1740689238 SLTSHICRBIABNQ-VAMGGRTRSA-N 442.564 1.937 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1740776380 VZOGGMLMIIPNEN-UHFFFAOYSA-N 439.607 1.976 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740885709 MLVRIXGVOXEIAG-RTBURBONSA-N 433.553 1.940 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(ccnc2O)C1 1740953723 PFDZRPFULRMAIB-UHFFFAOYSA-N 435.444 1.819 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1COCCO1 1741170374 ATHJRYLUOQTOIT-GOSISDBHSA-N 425.537 1.974 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1741284615 JFHHRIKQHHOEQQ-HSZRJFAPSA-N 435.532 1.695 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1741907403 ZTIACWVPZMWYIG-CRAIPNDOSA-N 448.549 1.202 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1744691921 BSGPBPCGHYPWSR-UHFFFAOYSA-N 443.577 1.791 30 10 IDEE CCOCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)NC 1747146212 LHKGTPPRVFSMGL-IBGZPJMESA-N 446.577 1.695 30 10 IDEE CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748000840 OPBNDLQUNMJNRR-FQEVSTJZSA-N 431.518 1.677 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1748228897 CQCNNVVCCYMDAA-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccn(C)n1 1748664947 LGDUYVMRQUAIBG-HNNXBMFYSA-N 426.550 1.672 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1748672374 SUCOMZNHEOZIIX-MRXNPFEDSA-N 431.566 1.345 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1748717755 HRRADCPFUOJCLY-OALUTQOASA-N 425.489 1.545 30 10 IDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1748744164 URAAJKKKDMCNAR-INIZCTEOSA-N 434.504 1.899 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1748847214 PIBNUKUFVKBFKO-SLQAJWMNSA-N 444.582 1.180 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2oc(CCC)nc2C)CC1 1748994201 CUVHDOKQCSMXGS-UHFFFAOYSA-N 425.537 1.453 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(C(N)=O)CCCC2)CC1 1749009534 JYVRTJOZCYXYMQ-UHFFFAOYSA-N 426.565 1.947 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749064432 VUJNOSJHSCVGOG-AUSIDOKSSA-N 436.564 1.670 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749210352 IBVFAKOHTIIJTR-GOSISDBHSA-N 429.525 1.418 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C 1749738042 CYSCVCSNZLFKLT-KRWDZBQOSA-N 436.582 1.744 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749755754 LGTGNEYBWDTIOG-KDOFPFPSSA-N 441.579 1.130 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760192620 KWYLJHKYCDFWEE-IPMKNSEASA-N 437.610 1.733 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1760235273 HYCUTUUPJFWZGT-LJQANCHMSA-N 447.561 1.322 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1760245427 DAZVTKVCYYNJTO-UHFFFAOYSA-N 435.576 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760268488 SGOIOKURGLINBS-IBGZPJMESA-N 449.559 1.564 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1760274820 NRTPNOGAJIMIIJ-MRXNPFEDSA-N 433.603 1.860 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760282177 XEXPIOHBYMKAOJ-QGZVFWFLSA-N 431.566 1.552 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 1760316239 OSJAGQIQFJTUOO-BLLLJJGKSA-N 435.326 1.953 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760510475 ZVIBASATVZETDC-NSHDSACASA-N 428.440 1.738 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccccc2CO)CC1 1760523470 ZHJPDPLRQMVPJJ-UHFFFAOYSA-N 435.532 1.857 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760947145 BFGBIEGPDPIYAK-NQIIRXRSSA-N 429.546 1.991 30 10 IDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1=O 1761129698 HBYUSPRHHITHJV-UHFFFAOYSA-N 449.519 1.210 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1761448365 ZNMOYSRAGTZVOO-MAUKXSAKSA-N 433.534 1.492 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1765671227 CAYMVVDVKNKDOL-GOSISDBHSA-N 432.550 1.497 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(C(=O)NC)c2)CCOC1 1765817383 DNMKVJKRZKLABW-ZHRRBRCNSA-N 426.521 1.934 30 10 IDEE CCOCc1nnc(N2CCCC[C@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767904065 LKGCQBAHBCVNDE-JVMRMLDLSA-N 432.525 1.594 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCOC1 1768578064 NPZCANGSUOOPEQ-GOSISDBHSA-N 445.545 1.779 30 10 IDEE COc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1O 1768688239 HQTKUGJLDVKVRQ-VGSWGCGISA-N 443.504 1.810 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)C1 1769160312 ZRJYANYSETXGNS-QHCPKHFHSA-N 439.564 1.747 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)Nc1ccccc1 1770050017 HSRFNMYHYKFRSA-FUHWJXTLSA-N 428.493 1.760 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCO[C@H](C#N)C2)c1 1851064973 MSRBCHPEFVUZTP-WOJBJXKFSA-N 427.526 1.944 30 10 IDEE COc1nc(=NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)c(C#N)c(C)[nH]1 1851459391 TWNUWZAFDZCEND-UHFFFAOYSA-N 437.504 1.036 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3nccc(C#N)n3)CC2)c1 1851775128 KSLJFJNAQYNXQE-LJQANCHMSA-N 440.529 1.159 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2C[C@@H]2C(=O)N2CCc3ccccc32)CC1 1851938830 ZJELFFRYCLZSRL-LEWJYISDSA-N 445.523 1.844 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)cc1F 1855734525 QYLDISAIYLJZHQ-ZDUSSCGKSA-N 431.445 1.768 30 10 IDEE CCn1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)c(C)n1 1856277977 DPIBRLACRPFKJB-MRXNPFEDSA-N 426.546 1.704 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(C)c(OC)cc3C)C2)CC1=O 1856788118 WMHWSHGEIHUUCB-HZPDHXFCSA-N 438.502 1.194 30 10 IDEE CC(=O)N1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868774304 DQBOIHBNQMCHGK-GOSISDBHSA-N 445.589 1.610 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2OC)CC1 1869930357 YGKKCPBMMKLYDQ-QGZVFWFLSA-N 442.541 1.861 30 10 IDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871619089 XJLOSBVYZMRTJP-UHFFFAOYSA-N 426.525 1.401 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2064130626 PQXGUNNXIZZNMC-UIEKQHFFSA-N 440.346 1.459 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255598665 YAZOKHYYUVBVCC-KGLIPLIRSA-N 432.330 1.790 30 10 IDEE CCc1nn(C)c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255629004 PMDOZUQVAMPLJK-ZDUSSCGKSA-N 436.362 1.925 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2255698868 SPHFCVAKQAOIKO-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255817871 CELCKWILDLIJBT-HIFRSBDPSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255827428 JYHWIYANSCTPOC-STQMWFEESA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255870779 ODLUIQUBWYSBHM-HUUCEWRRSA-N 433.314 1.403 30 10 IDEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2256057174 GSWUSLDUMDYHHO-CYBMUJFWSA-N 432.330 1.761 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2256623132 AZOGCMOPMSLXFG-QGZVFWFLSA-N 432.326 1.714 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2267523574 DNIRFYGMCZZAJO-GOSISDBHSA-N 444.263 1.485 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CCOC[C@@H]3OCc3ccccc3)nc2)OC1(C)C 2267549212 XYOSSVXZAYOJPF-OALUTQOASA-N 439.321 1.880 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCCN(Cc3ccccc3)C2)n1 2267550116 VDWQHIZECVRBDV-GOSISDBHSA-N 439.369 1.899 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269084189 BQDVULKGHXWOCI-QGZVFWFLSA-N 442.325 1.034 30 10 IDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@@H](O)c2ncc(I)s2)CCC1 2367823364 PKYPPEFOFFHGRK-PSASIEDQSA-N 426.301 1.079 30 10 IDEE NCC#Cc1cc(F)c(F)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2379880768 VGEMQEXXLYFADM-UHFFFAOYSA-N 433.436 1.703 30 10 IDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1 20527489 ZCKFLPYGJAZOHV-NGYBGAFCSA-N 434.507 1.648 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@@H]1c1ccc(O)cc1 72472503 DZIMLKHDAFQETO-CRAIPNDOSA-N 445.435 1.844 30 10 IDEE CN(CCC#N)C(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1 97656592 DUGOOPKJYRSYQX-YFHOEESVSA-N 431.470 1.687 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3cccs3)CC2)c1C#N 472287371 PJYWHMWUNAMGPE-GOSISDBHSA-N 426.546 1.544 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 473434392 MSYIXJQUNYEOAS-UHFFFAOYSA-N 445.497 1.906 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)s1 478742809 DZXXHCQHRYPOBC-HZPDHXFCSA-N 444.578 1.958 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)C2=O)cc1 488275183 WFPNMRICRHWEOZ-AZUAARDMSA-N 437.475 1.442 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)nc(C(C)C)n1 501549186 IOJDOPKGDITJIJ-UHFFFAOYSA-N 448.575 1.646 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1 520977431 POBYFRHMJXBAPO-KRWDZBQOSA-N 430.511 1.288 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)c(OC)c3)cc2C1=O 536074664 FLRTZVBKMLBTQE-UHFFFAOYSA-N 443.481 1.980 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCO2)CC1 549476351 OYFDTXMZAALLOU-NRFANRHFSA-N 438.576 1.781 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CC#CCN2[C@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)O1 556534148 OEBHFZITWSIKOL-RZSKGSBASA-N 448.560 1.357 30 10 IDEE CN1CCN(c2cc(C(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccn2)CC1 556923288 RAMQCROIFHKQGG-UHFFFAOYSA-N 447.499 1.915 30 10 IDEE Cc1[nH]nc(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1C#N 571250907 AKAFNKDYFVESLE-RFPOMQOQSA-N 427.464 2.008 30 10 IDEE C=CCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 573480417 YYQPLOYBJSFWOS-UHFFFAOYSA-N 425.551 1.296 30 10 IDEE N#Cc1cc(Br)cn(CC(=O)N2CCN(C(=O)c3cccs3)CC2)c1=O 578804859 OWZYVCXEWKGTQH-UHFFFAOYSA-N 435.303 1.529 30 10 IDEE COc1cc(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)c([N+](=O)[O-])cc1OC 589837475 PEFNKKIFQYLOEQ-UHFFFAOYSA-N 440.460 1.953 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@@H]1CCCO1 610574488 YSFZTJPXCRLHOG-SFHVURJKSA-N 437.565 1.995 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 731007807 UPXRBEGRDBTPAQ-SJLPKXTDSA-N 436.578 1.367 30 10 IDEE COc1ccc(C)cc1C1(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCOCC1 732453834 MMCPEVKCXZNVGI-MRCUWXFGSA-N 442.516 1.877 30 10 IDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)CCCOc1ccc(C#N)cc1OC 735769475 VTEVEYQYWXIRMG-HNNXBMFYSA-N 439.490 1.114 30 10 IDEE N#Cc1ccc(NC(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 746750339 PCJSIYIDIRDEFF-OAQYLSRUSA-N 432.436 1.516 30 10 IDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C#N 746773278 SOQYKCJEGOWRMK-UHFFFAOYSA-N 433.490 1.388 30 10 IDEE COc1ccc(COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)[C@H](C)O)cc1C#N 746952896 FSIXLXYMLIXZKW-YWZLYKJASA-N 432.498 1.955 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@H]2CCOC2)C1=O 751680273 WQCQGRSKFMIVJI-XJKSGUPXSA-N 426.489 1.753 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCCC1 779320219 SVVUWYLKNIJUEC-KRWDZBQOSA-N 437.518 1.848 30 10 IDEE C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccn2)CC1 780177263 MJNOCGMGUMGHTC-VFNWGFHPSA-N 431.493 1.319 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1-c1ccccc1 781654905 JUPDAKAAEREJKN-UHFFFAOYSA-N 446.532 1.725 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2c(Br)cnn2C)c1=O 782792613 JXCVDOMOVXMSDN-LLVKDONJSA-N 433.331 1.157 30 10 IDEE C[C@@H]1CC[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 795182438 FUVKRIVYQYRMDS-KBRIMQKVSA-N 431.562 1.583 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796678423 OAVZRTAUGVPFLV-IEBWSBKVSA-N 443.529 1.626 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)[C@H]1CCS(=O)(=O)C1 797448642 WTADONKHBOEHCT-AWEZNQCLSA-N 427.519 1.805 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C)c1 800767285 VMZOEURFHKQHMT-SFHVURJKSA-N 443.577 1.689 30 10 IDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812420180 UYDCQJOZRHVJEO-QAPCUYQASA-N 445.501 1.517 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 917767680 DTLAIBDUTMDIEA-HNNXBMFYSA-N 444.582 1.416 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 1140132321 DQSVOQBGJKEXNJ-UHFFFAOYSA-N 430.249 1.558 30 10 IDEE C#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 1143126527 DJJAEWSXGWJHGW-OAQYLSRUSA-N 439.537 1.790 30 10 IDEE C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1162140674 DFASVPUCYYCVGP-HUUCEWRRSA-N 435.546 1.942 30 10 IDEE CC(C)(C)NS(=O)(=O)CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1165559642 RCBCHSPQBPLZPB-UHFFFAOYSA-N 430.534 1.315 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](CO)c3ccc(F)cc3F)C2=O)cc1 1167611450 QXIMWTWRXDPYTH-MSOLQXFVSA-N 428.395 1.891 30 10 IDEE C=C(C)C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C(=O)OC 1187315681 LVVSYMVCCZPHTR-MRXNPFEDSA-N 426.495 1.451 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1 1194822289 SKUPEGWVOBWCCU-ZDUSSCGKSA-N 443.451 1.797 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1209136388 FQJXNUQGTUEROC-KRWDZBQOSA-N 435.550 1.563 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286298739 OHGIAUGGDYGSCI-VJANTYMQSA-N 429.544 1.976 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286328411 NJUKIFTZNUKPLT-UHFFFAOYSA-N 449.559 1.338 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1CC 1286462201 GOBQOVBJQZHKQB-UHFFFAOYSA-N 433.476 1.340 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1286479268 LEPIQDDIRLHOBO-UXHICEINSA-N 439.539 1.426 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286484983 STETWOPHXYEPOF-MSOLQXFVSA-N 442.589 1.576 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)CC 1286580188 VEVARQLWZZHXMU-UHFFFAOYSA-N 445.549 1.936 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286618921 JCNSULIPJBNBRP-GOSISDBHSA-N 436.004 1.871 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1286775674 SZYVFEUWTWSLTB-GOSISDBHSA-N 444.561 1.733 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(C)CC2)C1 1286810765 VODKBLQASPNRSI-SJORKVTESA-N 439.582 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1286821356 IDPKVXNIYGVKOK-OALUTQOASA-N 431.562 1.728 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286930909 SACADJLHROJGBK-SGRLSNSRSA-N 443.552 1.356 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1288083405 FTKQRHQVPKHIBH-DXQAYGFFSA-N 443.552 1.815 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCSCCCO 1291195503 SBAQMLZSHWIDRR-MRXNPFEDSA-N 442.593 1.723 30 10 IDEE CCN1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1296206814 TWEUMAATKKSVJG-GOSISDBHSA-N 444.971 1.750 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1299225794 DANNDIOTNDJAQT-PMERELPUSA-N 430.534 1.212 30 10 IDEE CC(C)(CN1CCOCC1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1299366579 MXILIXMPRWQJCF-UHFFFAOYSA-N 436.578 1.513 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300286189 FLEDDRWXSQGVOM-QRVBRYPASA-N 449.563 1.878 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@H]1COc2ccccc2O1 1300381872 WQKHJTBFDBDFHN-IRXDYDNUSA-N 447.561 1.968 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300485599 XLKYDIDDCAPXQE-QZTJIDSGSA-N 438.594 1.788 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1300521858 VMPUFSDDYNKIBX-UHFFFAOYSA-N 426.329 1.874 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1300631065 KZYOWJNWPVKUQO-CVEARBPZSA-N 441.623 1.602 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N2CCOCC2)CCSC1 1300641378 DIDCCZWHCYFCTL-IPJJNNNSSA-N 449.621 1.670 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(CCC)C2)CC1 1300719714 NBCPMNPKQPIHCH-LJQANCHMSA-N 437.592 1.981 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300960856 PNJJBDNJVDRHAD-UHFFFAOYSA-N 440.552 1.357 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1 1301499772 FVMXJHJUKUZCHE-CQSZACIVSA-N 449.499 1.651 30 10 IDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301559662 DWKAFKMMQXMTOB-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301578437 AQRXYRAKUXOGAF-KRWDZBQOSA-N 448.593 1.863 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301589161 OGZRFFDIMJZJJB-QZTJIDSGSA-N 439.582 1.125 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1301915056 WSESXBHNCKGSHC-OAQYLSRUSA-N 434.500 1.918 30 10 IDEE COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1302138356 QCCVXDAQKURYCQ-SFHVURJKSA-N 447.499 1.597 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 1307938840 OVORJACIWUNDKE-HXUWFJFHSA-N 438.912 1.738 30 10 IDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1309731871 BZMBTTWXHRMCTD-KRWDZBQOSA-N 428.576 1.876 30 10 IDEE 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C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359058009 QADFYUYQQANFID-SFHVURJKSA-N 432.638 1.976 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359133632 WNWAFKWEIDOHJX-QKLQHJQFSA-N 440.566 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359328660 KTVIZZKJQIKUAC-HDICACEKSA-N 436.534 1.405 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1360193175 RQNOIBBEBGVKQE-KRWDZBQOSA-N 441.511 1.640 30 10 IDEE N#CCN1CCC(CNC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1444000559 LFWLAGWKBFKFJB-UHFFFAOYSA-N 449.758 1.715 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4nnc(O)cc4C3)CC2)cc1 1448011976 HRKSEXKVJCEXFB-UHFFFAOYSA-N 427.486 1.039 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1454712736 MRSZMKCZOFNJEQ-LSDHHAIUSA-N 446.957 1.618 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1459463955 IQQMUGJERBZZSM-CQSZACIVSA-N 443.978 1.543 30 10 IDEE C#CCN(C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)[C@@H]1CCS(=O)(=O)C1 1459746027 XNNPBVXJKVVNGX-QZTJIDSGSA-N 444.475 1.289 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)cc1 1471123595 RGGQTJBRAFOCLD-RBUKOAKNSA-N 440.525 1.243 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1477972863 BPKBHEBQFDMXLD-GOSISDBHSA-N 444.536 1.570 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499723241 VNRSNJQROSTIAN-QAPCUYQASA-N 427.509 1.289 30 10 IDEE COCCCOc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1504836076 RGEUFBGBYAIBSG-UYAOXDASSA-N 427.505 1.974 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1505229991 VUPUYPAQDXABRU-KOFUXLBCSA-N 432.550 1.988 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507617931 DDXQYBZXVNDBDW-QGZVFWFLSA-N 428.518 1.080 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507635717 YUZGMOZKYCQWKS-LJQANCHMSA-N 435.594 1.362 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1507653928 SXYAITBSLYICMP-GOTSBHOMSA-N 433.556 1.860 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1507836124 XRYLCCXRSLVDOR-UHFFFAOYSA-N 430.475 1.791 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)(F)F)CC1 1507879905 YGXQIPWBESJULD-UHFFFAOYSA-N 447.425 1.756 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1507913745 AVOSQKOSJSQPAR-HUUCEWRRSA-N 427.571 1.880 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507917199 ZCPMTQKUEUHYFF-CVEARBPZSA-N 444.623 1.796 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1508423380 GRKRFFOEMTVSOG-LSDHHAIUSA-N 428.534 1.489 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508625506 JGUGLOKPYZAFHX-QHCPKHFHSA-N 435.532 1.980 30 10 IDEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)no1 1510636538 FDQUJEUEPVHATB-UHFFFAOYSA-N 435.492 1.354 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2COCCO2)c2ccccc2c1=O 1515942082 BMHLRLCFAFOYKV-CVEARBPZSA-N 437.504 1.829 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1518764879 XCJVTTYRSAZYGD-YOEHRIQHSA-N 445.474 1.551 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1521136760 HWDVOLYUNITJSX-KRWDZBQOSA-N 428.468 1.019 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)cc1 1531579112 CGHHKNINKSYYHO-QGZVFWFLSA-N 432.502 1.012 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1539015016 NMXMHZPNXGAHMC-CRAIPNDOSA-N 446.529 1.188 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1539078712 FKSMYGRGXCJECI-MRXNPFEDSA-N 426.546 1.884 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1539230305 LKCOQYLMYXBELJ-SFHVURJKSA-N 448.593 1.582 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc[nH]n1 1539563435 TZPAQHHOOCCZMG-SFHVURJKSA-N 447.467 1.022 30 10 IDEE CC(C)(C)Cc1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1/N=CC=CC1=O 1541170977 HFEDBDZKMAEQPB-FZXCKPRWSA-N 442.564 1.990 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)C1 1541223406 SWPMJICFSSOHGZ-FGTMMUONSA-N 445.568 1.873 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1541569048 GMJMXBWHYBESSB-RTBURBONSA-N 429.569 1.716 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)cc1 1543920673 DOMPELMVIBKNPZ-UHFFFAOYSA-N 429.502 1.584 30 10 IDEE C=CC1(CC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1545485218 DUEHTKPROUKCAA-GOSISDBHSA-N 434.581 1.955 30 10 IDEE CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1545822295 YWGSFZJQLOWEFB-HSALFYBXSA-N 432.569 1.995 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1554377528 DYQRASULCGCEET-INIZCTEOSA-N 439.520 1.203 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555147189 CWJYFGIKGQHAHQ-BKBKCADHSA-N 447.499 1.958 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555802506 KAANTLGGTRNBFB-QGZVFWFLSA-N 444.565 1.127 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(-c4ccccc4)n3CCOCCCO)CC2)nc1 1555990416 ZIRWLGMROLEFOZ-UHFFFAOYSA-N 433.516 1.937 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOCC1(C)C 1587985002 QJARYFCXMSNMGV-UHFFFAOYSA-N 438.580 1.632 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1588089024 FZJBNLMFGBMZFZ-QHCPKHFHSA-N 427.549 1.256 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnn1 1588219472 UMXHONOQKOMEMS-UHFFFAOYSA-N 441.499 1.337 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1588253629 BIBFSMFFGVVRIT-UHFFFAOYSA-N 442.541 1.906 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCn2nc(C)cc2C)CC1 1588751113 IPNVLSPSAJJCLW-HSZRJFAPSA-N 441.580 1.589 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOCc2ccccc2)CC1 1588923514 BXJSHJMTMZUVRO-UHFFFAOYSA-N 447.543 1.861 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589547891 WSHZJCIXFMGFME-SCTDSRPQSA-N 430.553 1.931 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 1595050392 GEXJPMGKALXOGX-YJBOKZPZSA-N 426.496 1.867 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1595115914 NPALXSGONIWXNL-SFHVURJKSA-N 431.562 1.899 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1595501497 WCSWAMAVKAHXAD-IBGZPJMESA-N 435.532 1.862 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](C(=O)NC)C1 1595595033 QLIBTKCYPUOMNH-GOSISDBHSA-N 440.548 1.684 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3ccnc3C2)C1 1595674167 NJOLTCKTOBMWSX-YESZJQIVSA-N 449.581 1.129 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)C1 1595739339 ZQWMDXFDXWTPMU-QGZVFWFLSA-N 437.591 1.747 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1595884911 WRNDQAKGWFCTOX-INIZCTEOSA-N 445.611 1.841 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1603097928 UGVVOLYSLDUWFQ-BWVDKLOVSA-N 439.520 1.671 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 1618760831 DVAQCBMMJWOCKU-MRXNPFEDSA-N 428.961 1.789 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1620099764 NEURZQNZOLORHA-FPXQBCRKSA-N 441.529 1.269 30 10 IDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br)C(=O)OC 1626188289 VCXOMGLSJSJKFB-HNNXBMFYSA-N 445.335 1.678 30 10 IDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(OC)c1Br 1627136692 MQZQOQYXDKPNDT-MEDUHNTESA-N 429.292 1.477 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)c1 1630252032 QAHBNOYHZHSNGR-KRWDZBQOSA-N 426.454 1.121 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)C1=O 1630512074 YIHORDNXIKWCBH-KRWDZBQOSA-N 427.848 1.514 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 1631653412 DFRDXZCADCBFJK-UHFFFAOYSA-N 442.541 1.630 30 10 IDEE C[C@@H](CC(=O)NCc1ccc(-c2nncnn2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1631905822 ZMKJPYOFOXZXRQ-ZDUSSCGKSA-N 437.485 1.067 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)c1 1631924757 MXZUZCUTENCNRU-KRWDZBQOSA-N 427.486 1.688 30 10 IDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)[C@@H]1CCCO1 1633396697 CGNFJQPWRKHQLK-JYJNAYRXSA-N 426.560 1.584 30 10 IDEE C=CCc1ccc(OCC(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c(OC)c1 1634511746 ZMDDCWJXIICONJ-SFHVURJKSA-N 433.530 1.924 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)s1 1636237394 MEQHCNMBJBFEHW-HNNXBMFYSA-N 440.465 1.709 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1636776976 YECKRCCCIBPVJW-LAUBAEHRSA-N 449.529 1.058 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640118494 LWHLLGBABRWNGX-YJBOKZPZSA-N 429.498 1.516 30 10 IDEE CCOC(=O)[C@]1(F)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC12CCC2 1641276072 AUMXEOSMCKTLLJ-HXUWFJFHSA-N 437.493 1.776 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)cc1 1651503754 WUCSUHPQPSBSKO-GUDVDZBRSA-N 449.573 1.423 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cnc(C#N)c(C#N)n2)C1 1651655013 ZKKIGGOBPQAIRW-CRAIPNDOSA-N 439.520 1.952 30 10 IDEE Cn1c(=O)c2ccccc2n2c(Cn3cc(C#N)c(I)n3)nnc12 1656672174 JITLRVJCGDTMLS-UHFFFAOYSA-N 431.197 1.302 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n(Cc2ccccc2)c1C 1660399329 QUORWLPKMFNMKJ-BEFAXECRSA-N 443.573 1.820 30 10 IDEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1663024360 ZKLVRSFTMFZVMM-UHFFFAOYSA-N 445.607 1.144 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672353946 UFSZTJMNIXUFRG-GOSISDBHSA-N 437.504 1.565 30 10 IDEE CC(=O)N1C[C@H]2CN(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)C[C@H]2C1 1673623221 NPZNGAUCMLVASH-NTCCNNMASA-N 433.534 1.441 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)C)c1 1689868452 HMXXDMCEIPQBAT-MRXNPFEDSA-N 425.537 1.423 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689986601 SZOTYINDFHTWNG-MRXNPFEDSA-N 441.513 1.925 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689989441 FPAVPEZQVVVGHH-HRAATJIYSA-N 434.562 1.994 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2cccc(C)c2)CC1 1690112285 UAFQIDRRSRJUIM-RTBURBONSA-N 444.605 1.756 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1690113530 MHOHDOARLBDXED-URXFXBBRSA-N 444.624 1.806 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C(=O)NC 1690178987 JXLAMNTUXOCXRS-MRXNPFEDSA-N 425.562 1.701 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1690528237 YITBHBQUNKVEEA-SFHVURJKSA-N 435.550 1.621 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690726895 PQXAXDVKBXCNFJ-IBGZPJMESA-N 446.577 1.169 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694162163 WADQTJOSXOXNQT-FYDXAPRSSA-N 441.536 1.375 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1696663940 ZPESHFZNOKWXDS-MRXNPFEDSA-N 439.520 1.358 30 10 IDEE COc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(=O)N(C)C)c1 1697522197 RKDWPPZOQZSRJV-UHFFFAOYSA-N 446.515 1.635 30 10 IDEE CS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1698320363 CUKCEUGGTJCUFO-UHFFFAOYSA-N 443.577 1.683 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705517560 YCRJSYRZPFCOPH-VAMGGRTRSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1705563495 YTIGGKLXCLGWRU-PMACEKPBSA-N 446.573 1.796 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705622735 RWECBMIAPRFCPR-PMOQBDJRSA-N 448.564 1.744 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1705629195 ZPANQQBPXCIRKK-GOSISDBHSA-N 445.545 1.273 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705658174 HBEJOCCDCINYCR-SFHVURJKSA-N 441.605 1.743 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)C1 1705926020 XGLSAXZPACCBMW-GJZGRUSLSA-N 449.524 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(C)(C)C)C1 1705927782 GHJVGVXKPQKCOR-HNNXBMFYSA-N 427.571 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1705939471 XZTZHNFXRJHUPL-UHFFFAOYSA-N 443.577 1.770 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1706075773 SIOHDJCPUGBCGB-HKUYNNGSSA-N 440.552 1.853 30 10 IDEE CC(C)CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1=O 1706510534 ZRHYLDRKSLKVEZ-LZICOFPGSA-N 441.536 1.375 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)cs1 1707761087 FTUJXSGCEPPKQA-FUHWJXTLSA-N 432.550 1.806 30 10 IDEE CCCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1709657794 UYYMPYIGJGNNTM-CRAIPNDOSA-N 439.520 1.875 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1711415890 CCLKOZPQHWIPMG-AEFFLSMTSA-N 446.533 1.205 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1711586796 DZGXLEMQEHIOEH-SUMWQHHRSA-N 442.442 1.502 30 10 IDEE COC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1)OC 1712149667 CDPXSVJNKRKMAO-KRWDZBQOSA-N 433.534 1.750 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1722398405 XVTURIZXVJTMIL-LJQANCHMSA-N 436.491 1.570 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNC(C)=O)CC1 1722694728 FYHXKTXNLRGJKI-UHFFFAOYSA-N 426.521 1.608 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCSCCCO 1723941749 IOPKCPWGKSGRSU-RHSMWYFYSA-N 430.600 1.134 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1(C)C 1730382939 AFLZVDFCISXLTA-QGZVFWFLSA-N 432.550 1.617 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CC1=O 1730775956 CUOARWATHCIASW-WBVHZDCISA-N 439.520 1.012 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1740591963 RUUIPZFPJXHGMY-KRWDZBQOSA-N 437.566 1.031 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740620641 GBMVEWJWTWETGZ-MRXNPFEDSA-N 447.536 1.626 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740624559 IBXCVUHVKSGNRX-RTBURBONSA-N 429.546 1.316 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1740671418 GWSOIYGFDUMPFW-INIZCTEOSA-N 427.571 1.133 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1740757716 RESKZLOXMDQZHU-GGPKGHCWSA-N 430.553 1.563 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740788839 YBNJCUMRSAFXSY-IRXDYDNUSA-N 441.598 1.612 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740957195 FJDLYBSOTUTKDS-MRXNPFEDSA-N 440.483 1.563 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1740965487 QCRHDXZMBJEUJP-GJZGRUSLSA-N 449.556 1.352 30 10 IDEE CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1743984632 FCEYXANHHNSCBP-OALUTQOASA-N 447.584 1.282 30 10 IDEE CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1747547519 DLBKBHUELSHILG-RTBURBONSA-N 446.515 1.957 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1748672521 UTXMUSSTKVYRAG-GJZGRUSLSA-N 439.582 1.941 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCn2ccnc2C)CC1 1748972102 BZIYKHRXBGFMIB-UHFFFAOYSA-N 447.547 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1749003565 NDZVCFKRHBSFKB-UHFFFAOYSA-N 446.540 1.991 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749039494 VMMXTQXYZGALBB-KRWDZBQOSA-N 441.557 1.816 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N(C)C[C@@H](C)C(=O)NC 1749083079 CCDHTSSPNKPSIH-LLVKDONJSA-N 429.363 1.923 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749084698 UBNRRFKGWVVILM-STQMWFEESA-N 446.309 1.549 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749223720 YOEJXPFTCJZNMS-QGZVFWFLSA-N 427.553 1.655 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1749665734 AXZVLECUHPQPRR-LJQANCHMSA-N 437.548 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749669187 CWGLBAPDSWGYQA-QZTJIDSGSA-N 440.552 1.370 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)O[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682329 RSOBSRYMJGZOHM-VQHPVUNQSA-N 448.568 1.965 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1749831574 CWVCEQZWRBILCK-UHFFFAOYSA-N 447.503 1.028 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1751023895 WRFHWWNZPIBJGV-QTQXBYQESA-N 444.536 1.834 30 10 IDEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CC1 1751247908 GASHPEBDHFQDMO-UZUQRXQVSA-N 438.532 1.982 30 10 IDEE C[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1752148251 CUYLKXNGGZXICK-DXQAYGFFSA-N 427.509 1.277 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 1760154607 GWJSNDZQKOAFLS-LJQANCHMSA-N 447.561 1.669 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1760204634 XMZGNOQDZDPAKF-UHFFFAOYSA-N 436.516 1.630 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1760212051 QRPXNZDJHIMWEA-OAQYLSRUSA-N 434.562 1.218 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)c2ccccc2)CC1 1760252933 YFZXADQNUPDHKM-UHFFFAOYSA-N 435.576 1.796 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760510892 UQDHBVNQMRBXKP-IAGOWNOFSA-N 449.552 1.939 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2ccc3c(c2)OCO3)nnc1[C@]1(OCC)CCOC1 1760527937 NACFZCNIWMCFEN-QFIPXVFZSA-N 443.504 1.598 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1760531078 BWCSRJDIERCQEQ-QGZVFWFLSA-N 438.532 1.681 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1760821037 BPOPHVJITKGABM-UHFFFAOYSA-N 433.534 1.513 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(O)cc3C2)n1Cc1ccc(C#N)o1 1761489098 UUWVLVUTSGUIHN-CYBMUJFWSA-N 442.501 1.670 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)C1 1761544570 HCLAAKKCMYSYIV-YLJYHZDGSA-N 446.533 1.470 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1764701955 PWKQIAXYHNRTJX-ICSRJNTNSA-N 426.521 1.988 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1767151411 QPWNQGPXYLFRGC-QFIPXVFZSA-N 446.575 1.374 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCO)C1CCN(S(C)(=O)=O)CC1 1768538938 BGQYWZDMFKUAAC-UHFFFAOYSA-N 446.577 1.840 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1769222320 LYKAHIUMJLPJHO-UHFFFAOYSA-N 428.562 1.895 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1769698054 HNJPTIUVJUVLIL-IBGZPJMESA-N 439.520 1.426 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC2(C1)OCCO2 1769846813 HYIWSGSXFLWVTA-QGZVFWFLSA-N 432.525 1.310 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)F)C1 1770727162 CHZRIAUTJVXRDB-LJQANCHMSA-N 436.394 1.540 30 10 IDEE COCCn1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1849875112 LMGLGMVQVZKLSS-UHFFFAOYSA-N 449.511 1.383 30 10 IDEE COc1ccc(N(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)C(=S)N=CN(C)C)cc1 1851190572 RHOKKBRUCLGPFB-AWEZNQCLSA-N 428.518 1.690 30 10 IDEE COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)n(C)n2)c1 1851801057 XSLRMWYVQVXCQG-UHFFFAOYSA-N 433.472 1.728 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1856555999 MJBVTZVLOBEBPP-IBGZPJMESA-N 432.546 1.694 30 10 IDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1856862700 VYTMIVJMWQFCBC-KRWDZBQOSA-N 439.965 1.435 30 10 IDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1856955515 NOCCJKAYOPSDOZ-MRXNPFEDSA-N 430.940 1.957 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862561382 OVHRFBHUDGYSGY-FQEVSTJZSA-N 437.452 1.754 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(=O)OC)o2)cn1CCOCCO 1870558931 PXLVSEWQFBXESK-UHFFFAOYSA-N 446.500 1.990 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN(C)C)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871509947 PASNIPIICVKORL-UHFFFAOYSA-N 446.581 1.227 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1879110350 XFGZGOJRKOENDW-GOSISDBHSA-N 448.369 1.920 30 10 IDEE C#CCOCCOCC[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882563375 TWXZOQRPELNQQQ-CQGGRAHPSA-N 425.503 1.560 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889568748 BQAAUDYDDCPYPQ-UHFFFAOYSA-N 438.594 1.491 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OCc2ccccc2)C1 1900427199 QRLGNOMFGPLFHD-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248402484 XQBPOYHQINHAAC-NWDGAFQWSA-N 439.343 1.751 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248432625 YOIWUFADAIDRTD-VXGBXAGGSA-N 439.343 1.921 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255526902 BOXOSBJIGGBYRM-CQSZACIVSA-N 438.305 1.740 30 10 IDEE Cc1ccc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255671789 WUYACCKBOWPTEO-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CCCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2255695278 YXTZIYSNLSBCKQ-UHFFFAOYSA-N 437.350 1.491 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)C1 2255798441 UOCBOGXZZKGPSV-UHFFFAOYSA-N 437.346 1.936 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2255821635 FSBYJZAXHBKUOT-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255880417 FTZKIGVSTCOPBW-KRWDZBQOSA-N 428.220 1.059 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2259345335 GBVQTOVQBOOOEL-ZFWWWQNUSA-N 434.346 1.752 30 10 IDEE CCn1cc(C(=O)N(C)C[C@@H](O)COCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267178113 XSALHKNREAXNQK-GOSISDBHSA-N 443.353 1.852 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267182447 GRIAMUHPXSXEIJ-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE Cn1cc(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)c(B2OC(C)(C)C(C)(C)O2)n1 2267196706 SOUJYUUKUBZAKN-UHFFFAOYSA-N 448.289 1.379 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267479990 SUSCRUCJGXLJTR-YOEHRIQHSA-N 447.341 1.338 30 10 IDEE C[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267610345 ZHZLKBRNPVZVRV-YPMHNXCESA-N 442.247 1.305 30 10 IDEE C=CCO[C@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270539021 ABRFRNRRXIXKAT-DLBZAZTESA-N 426.491 1.061 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2311825243 MXOFFPUHNVEDPR-QEJZJMRPSA-N 430.314 1.970 30 10 IDEE COc1ccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)cc1O 2328468685 GRTRFBWZZKVSKU-UHFFFAOYSA-N 442.457 1.951 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)c(OC)c1 2330742457 QWOYENOQAFBQTG-UHFFFAOYSA-N 434.522 1.432 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 438951682 JWIOFKQCPOSTGC-UXOAXIEHSA-N 446.403 1.691 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 478742889 FLUUBCGZEOBQKB-HZPDHXFCSA-N 430.551 1.649 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481626849 YFCZVGUBVVIXGG-IBGZPJMESA-N 429.473 1.529 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 503627367 UFUNYWWFNFDOQM-UHFFFAOYSA-N 430.464 1.723 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 532159564 QTSNFLBTBDLHSI-UHFFFAOYSA-N 429.384 1.389 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)CC2)n1 546178894 VFKWTTQIYYSBBN-IBGZPJMESA-N 431.562 1.586 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCOC3)CC2)cc1 574697883 AZCCNZVVMDDJIJ-SFTDATJTSA-N 438.532 1.596 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)s1 595529330 NTMONUHKTGLUJS-UHFFFAOYSA-N 429.567 1.494 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 603652558 QFSMDDBXUFHOAP-UHFFFAOYSA-N 426.502 1.748 30 10 IDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669817001 BDLRUOPZKPYPQL-OAHLLOKOSA-N 426.477 1.621 30 10 IDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 729330657 GXWDMBCEGDIQHE-OAHLLOKOSA-N 444.962 1.387 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730141417 JXOOBLATCBWRFA-CZUORRHYSA-N 437.541 1.350 30 10 IDEE CC(C)(C)OC(=O)NCCOCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 732553123 NFRHQUDLTMZOLT-INIZCTEOSA-N 434.518 1.940 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 734293341 RDZCCXKHSSKNQT-UHFFFAOYSA-N 449.510 1.006 30 10 IDEE N#Cc1ccc(-c2cccc(CNC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)c2)s1 740058773 BQEJZYVYSPLPAC-INIZCTEOSA-N 446.554 1.779 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@H]3CCOc4ccccc43)c2=O)cn1 742144492 ODBPDRJGAGUPJI-SFHVURJKSA-N 449.536 1.137 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCCO2)c1=O 743729065 WKZKUZDUNSDOMW-HNNXBMFYSA-N 444.582 1.416 30 10 IDEE Cc1cccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C#N 751034192 YAWALXNMDBFQPH-UHFFFAOYSA-N 436.534 1.567 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(C2CCC2)n1C 753970968 HPQFRTKIWYIYRJ-MRXNPFEDSA-N 444.561 1.996 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O 757312592 GKQNLYVLLDKJKI-UJUVCNOISA-N 448.475 1.963 30 10 IDEE CCc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1 771539114 AVTWAYSRNNYQRZ-INIZCTEOSA-N 427.534 1.615 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2ncn(C)n2)c1 780311059 DHRCOFBVGQDJPR-NVXWUHKLSA-N 443.577 1.884 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c(C)c1 782839656 UZXGRLDEWVICOW-INIZCTEOSA-N 444.565 1.027 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)s1 788045159 COHMXNXFUUOBBE-UHFFFAOYSA-N 449.558 1.861 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)n1 789170437 OGBTVMWAXXINMW-UHFFFAOYSA-N 433.534 1.125 30 10 IDEE Cn1cc(/C=C/C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 792589467 UCYLIOQSSLOLQC-IPLHWJFFSA-N 427.892 1.160 30 10 IDEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 792746393 LRRZWRVQQSDRTR-YJBOKZPZSA-N 430.530 1.827 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccccc2OCC2CC2)c1=O 794646155 VGZQMQPIJDRDPR-LJQANCHMSA-N 448.544 1.831 30 10 IDEE C[C@@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)n1cnc(C#N)n1 798405687 WZJFHFQDWHLDKW-HNNXBMFYSA-N 435.467 1.283 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 804539851 PPIUVOPYFRSIET-HIFRSBDPSA-N 441.575 1.366 30 10 IDEE C[C@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C1(S(C)(=O)=O)CC1 806219181 FZOINQFHNKNXTA-JEEMYIIMSA-N 442.563 1.587 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812199122 OIWVUUSTGQKGLF-GOSISDBHSA-N 447.517 1.907 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)c1OC 1127854156 NCUXKJVNNQQTGT-IUODEOHRSA-N 435.527 1.986 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C3)CC2)o1 1131119951 FOHDUKMGICZBMZ-TZMCWYRMSA-N 434.440 1.505 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1136758677 FFZZMDHBPCJGDF-WMZHIEFXSA-N 428.533 1.985 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)ccc1F 1151360526 ZFXNPPCBMJJAKY-INIZCTEOSA-N 445.476 1.828 30 10 IDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1175390864 UFLJJULDLNJJFZ-YLJYHZDGSA-N 436.553 1.656 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)CC1 1176135652 BEJJUTTWDAXPRA-HZPDHXFCSA-N 441.502 1.842 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)C1 1194690420 HGZCHQBGVXMKOS-LLVKDONJSA-N 433.299 1.751 30 10 IDEE C#CCN(C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1)[C@@H]1CCS(=O)(=O)C1 1218885470 YVILZMHEYXPVGM-MRXNPFEDSA-N 442.497 1.888 30 10 IDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1235528806 HYFBPNOPHZKBEZ-FQEVSTJZSA-N 445.589 1.862 30 10 IDEE Cn1ncc(CCCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 1251306337 CMYJZRCGQUVWBA-UHFFFAOYSA-N 425.472 1.458 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1286270250 JSTBSVIOKDNXKN-CQSZACIVSA-N 426.912 1.911 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1286376070 DXXQNOALASQAQQ-HXUWFJFHSA-N 443.573 1.130 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1286387467 QZVFDKHKULRPQN-OAHLLOKOSA-N 443.508 1.380 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286388105 YDVQNNUEIAGPRN-YQVWRLOYSA-N 431.562 1.961 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1286397873 QSVUOVYFSJPLSA-HNNXBMFYSA-N 447.511 1.971 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1286492726 IJUTYAXCKFRPBT-ICSRJNTNSA-N 428.581 1.480 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286607451 GZOZSAJUKCLYFC-IAGOWNOFSA-N 434.566 1.500 30 10 IDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286698619 CZYOMSWVHHHARF-MRXNPFEDSA-N 436.538 1.388 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1286773848 UESOHQBINFHNTJ-DNVCBOLYSA-N 440.591 1.788 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1286793999 SBVHDSKGCNXSRB-SZVBFZGTSA-N 432.569 1.556 30 10 IDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCNS(C)(=O)=O 1293068088 BYXSWNALYUOINT-UHFFFAOYSA-N 445.593 1.364 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2I)[C@@H](C#N)C1 1294436800 SYTVOKQQPFSFLK-VIFPVBQESA-N 431.234 1.599 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3c(I)n[nH]c3C)CC2)c1C#N 1296471225 BEHHNPDHIFRDOU-UHFFFAOYSA-N 439.261 1.199 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1297311175 RKEVEUYETZHRAD-QGZVFWFLSA-N 430.484 1.567 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(c4ncns4)CC3)C2)C1 1298234071 JZJCMJNSUGOXNN-RDYUPDBUSA-N 432.550 1.974 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCCN2CCOCC2)CC1 1300403669 OWNNUBILVJOEHZ-HXUWFJFHSA-N 428.581 1.971 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCNS(C)(=O)=O)CC1 1300683806 TVTIORCAGVYCBP-IBGZPJMESA-N 430.578 1.124 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301508324 IALCBOCZRLCYQX-KRWDZBQOSA-N 426.521 1.076 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1301617399 DXRWHTNNYQYFDN-OALUTQOASA-N 448.637 1.867 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1303410891 BDBYQDXFHOMRDB-HOTGVXAUSA-N 447.540 1.545 30 10 IDEE CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@@H](O)c1cccc(C#N)c1 1307910168 UQVMQPPBRFBPIK-JOCHJYFZSA-N 436.512 1.312 30 10 IDEE C#CCN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C1CSC1 1307918776 NZUBUECZRPJWSV-UHFFFAOYSA-N 433.599 1.801 30 10 IDEE COCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316004257 IRZSMEONWFOQMJ-KRWDZBQOSA-N 425.493 1.581 30 10 IDEE CS(=O)(=O)Cc1ccccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1356137437 PAKIGRJMBUMKOU-GOSISDBHSA-N 440.481 1.947 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1358890643 SJJUXWKVGNKHTL-WMZOPIPTSA-N 433.534 1.148 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1358960197 ZFLCKXMNPSNQOG-WIYYLYMNSA-N 432.546 1.359 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358960493 FXQXNTJSXHPFRW-RBUKOAKNSA-N 445.593 1.180 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358960924 OIARCRQELKDQJK-RBUKOAKNSA-N 429.546 1.926 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358963665 MALQBCZIGASIQZ-RTBURBONSA-N 444.557 1.774 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC(O)CC1 1358972033 QTFDLJDRRCHXKN-UHFFFAOYSA-N 437.544 1.882 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1358994320 KGKAKGKKHMKLFY-LMVRJCEZSA-N 430.574 1.584 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCCN1CCN(CC)CC1 1359062610 NJGPITJWVXGZLH-XMMPIXPASA-N 441.624 1.924 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1359277051 ASOVMESUNYZQFF-GOSISDBHSA-N 442.520 1.306 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 1359297220 JEAHGRNGZFKUSB-UHFFFAOYSA-N 426.521 1.703 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1359299786 NHCJBKSXYQDHKW-QGZVFWFLSA-N 426.521 1.858 30 10 IDEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359345961 WFLUHMGGAFLDTD-QGZVFWFLSA-N 435.525 1.867 30 10 IDEE CC1=C(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[C@@H](C)n2nnnc2N1C 1441632069 RAMAUJZGJOTXDY-GHOZOMOVSA-N 444.521 1.409 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)[C@]1(O)CCOC1 1452147657 JPKFCTNQQHXFCE-KKSFZXQISA-N 437.562 1.578 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 1455115852 SRZWSTTXDNUOEH-UHFFFAOYSA-N 438.706 1.467 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)n[nH]1 1456385888 ZXLYRHOGJLJELM-VIFPVBQESA-N 430.412 1.520 30 10 IDEE C[C@@H](CC(=O)NCc1cccnc1N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1470015780 HMEKLGWVAWPTDJ-HNNXBMFYSA-N 427.530 1.815 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCOCCCO)cc1 1505319651 GGHDIZMWTBRGSZ-QFIPXVFZSA-N 443.504 1.123 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1505322467 OMQUSEGGRQFHKY-GDBMZVCRSA-N 439.442 1.655 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1507589340 WDHOTJIGJJIUIY-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C#CCN(c1nnc(C)n1CC1(N2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1507628999 ZEMPOYAVDBVIQY-IBGZPJMESA-N 435.594 1.248 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1507669772 RFFPKEXFKHDFKT-MRXNPFEDSA-N 432.575 1.436 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1507717159 ZGQFHAWTMXJLMT-UYAOXDASSA-N 435.532 1.662 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCOC2)CC1 1507734243 JUJFFOPTQHEVGR-XMMPIXPASA-N 437.544 1.625 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](COCCOC)C1 1507782131 UJALDQRADJFDDE-ZIAGYGMSSA-N 428.331 1.627 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507942110 MBHRJODWAKAKJC-MRXNPFEDSA-N 438.575 1.938 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1508040347 WPOSIBBUEOLECZ-IAGOWNOFSA-N 432.546 1.995 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@@H]2CCCO2)nnc1[C@@]1(OC(C)C)CCOC1 1508096618 BDOUUHKOSAMAQS-KGVIQGDOSA-N 433.553 1.769 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)N(C)C)C1 1508115497 KABPIJUXGNWGBU-HNNXBMFYSA-N 440.957 1.666 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508412679 DGXWXUFIZPHHJP-NVXWUHKLSA-N 427.534 1.694 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516833892 LVMPTWQNGSXLIP-IBGZPJMESA-N 443.577 1.451 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516849195 BIEBIOALSMBCEJ-KRWDZBQOSA-N 449.606 1.046 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1519051710 APWYLDJTAOGHRM-OALUTQOASA-N 440.504 1.899 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CC=CCC2)CC1 1539430457 KCQYMGWNELQNHI-QHCPKHFHSA-N 428.581 1.336 30 10 IDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539506498 UZDIDASKJPVCSY-UHFFFAOYSA-N 426.590 1.830 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1539631515 LQBOUXXLKONKFJ-SCTDSRPQSA-N 446.577 1.630 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CCOC)CC2)nnc1[C@@]1(OCC)CCOC1 1539643524 WSPRBWWQSJGFAN-SXWKCWPCSA-N 449.596 1.680 30 10 IDEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@]1(OCC)CCOC1 1539733929 USXJTXPDWDARBA-HMFYCAOWSA-N 435.569 1.874 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1539744156 DGCVFJQNKLCXCY-QZTJIDSGSA-N 429.525 1.616 30 10 IDEE CCS(=O)(=O)NC1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540799947 ZWAJPALEIQZTMA-MRXNPFEDSA-N 430.571 1.894 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)OC 1540908131 CKAXMIJDEDNQLE-AWEZNQCLSA-N 429.543 1.949 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1540922743 WXWYTOGPWLRCCJ-WOJBJXKFSA-N 437.566 1.880 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1541657310 GZTQFLIQPICDRV-LJQANCHMSA-N 434.497 1.310 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc2cccc(Cl)c2n1C 1541678677 GUYMAGQEVFEFLP-ZDUSSCGKSA-N 442.911 1.733 30 10 IDEE COCCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1542840800 WFVYUJHBWITDKR-PMPSAXMXSA-N 429.539 1.045 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1555756988 IZIOXOWWGJLCTA-CGYMZZPOSA-N 448.499 1.323 30 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C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1588574365 FZQNKCPXAMGLQD-SJORKVTESA-N 440.614 1.095 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1cnc2c(Cl)cnn2c1 1588629020 UDVFDPJMRJYRJN-UHFFFAOYSA-N 439.911 1.703 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2oc(CC)nc2C)CC1 1588752453 SNUQKIRODUTHQL-HSZRJFAPSA-N 442.564 1.981 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCC(F)(F)F)CC1 1588848590 JDCNJTKVHRXJRP-UHFFFAOYSA-N 441.483 1.068 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)C(C)C)CC1 1588969218 XWTLTOFHBKVHMU-UFYCRDLUSA-N 447.580 1.639 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ncccc2F)CC1 1595544799 LRZOSLQVXDXJOR-QGZVFWFLSA-N 443.527 1.725 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc(C)n2)C1 1595673888 KZXMDCBTYBLAQN-CZUORRHYSA-N 440.595 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595784928 NZDIUPQADPYIGO-FUHWJXTLSA-N 434.566 1.031 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595805415 OTQUBRWCDKTKHB-FQEVSTJZSA-N 426.583 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595811939 HOMNEUCDADZYKS-UHFFFAOYSA-N 444.561 1.189 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1598090204 OSYUXXFTCUTLQM-QFIPXVFZSA-N 426.521 1.831 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1610416598 QJXNPZATIVGWJJ-ZSVKVYQISA-N 442.520 1.611 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1610433721 XOSIUUZJUZZGRO-QFIPXVFZSA-N 446.552 1.308 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H](CO)CN1CCOCC1 1617388887 YGJDQSDQQUNJNR-QUCCMNQESA-N 444.532 1.202 30 10 IDEE Cn1ncc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)n1 1618486342 AOTAYCBXDBXKBX-CQSZACIVSA-N 446.313 1.526 30 10 IDEE C=CCOC[C@H](NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)C(=O)OC 1634058605 ITWPPHBNVYOJJQ-HNNXBMFYSA-N 438.527 1.617 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1635733770 QZWDPALKBKKQOT-UHFFFAOYSA-N 432.468 1.075 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1cc[nH]n1 1635906091 XABZFIXVADMDEG-ZDUSSCGKSA-N 436.490 1.017 30 10 IDEE COC(=O)c1cnc([C@@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 1638487803 SGNSJULNKBOMNN-LLVKDONJSA-N 436.515 1.626 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)C2)nc1 1638911418 SSUYWDSQCGEADY-OALUTQOASA-N 425.464 1.215 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 1639116458 VWLIFDDYQJTQDQ-ZBFHGGJFSA-N 434.518 1.383 30 10 IDEE N#Cc1cn(CC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)c(=O)nc1O 1640077957 FRARPVXHNWSMIW-UHFFFAOYSA-N 446.261 1.458 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@@H](Cc3cccc(OC)c3)C2)ccc1F 1641825483 LTMLJVUGNRVTMK-SFHVURJKSA-N 447.532 1.955 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 1642820882 BUBSAUKRDJFPLZ-UHFFFAOYSA-N 449.554 1.645 30 10 IDEE N#Cc1cnn(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c1N 1647921267 XCOCORSVUBDIIV-UHFFFAOYSA-N 430.273 1.353 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3nccc4c(Br)cccc34)C2)c(=O)nc1O 1648028722 LNUOVMOGTFSRSN-UHFFFAOYSA-N 426.230 1.828 30 10 IDEE C=CCOc1c(Cl)cc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC 1656467138 VDEZHJBKKLSNRT-IRXDYDNUSA-N 430.954 1.501 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 1687426260 FTWWIGUAVRYMFA-SFHVURJKSA-N 432.594 1.248 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689989856 JDNKGJVUZQSCBZ-HOTGVXAUSA-N 449.602 1.670 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H]2COCCO2)CC1 1690139562 RJBATANKFDMTHK-SFHVURJKSA-N 427.505 1.618 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690306177 PLWBEEIFGCPVQP-UHFFFAOYSA-N 444.561 1.927 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1690508827 QKFCLXSRTOQWHB-SJLPKXTDSA-N 436.534 1.944 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690673168 QCQDTZRCKPPOPQ-UHFFFAOYSA-N 447.547 1.300 30 10 IDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)cnn1C 1692943328 AARUJYVNLARNLS-UHFFFAOYSA-N 425.518 1.388 30 10 IDEE CC[C@@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694162169 WADQTJOSXOXNQT-QZWALTAQSA-N 441.536 1.375 30 10 IDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1=O 1695854579 NBVBTATTZPQXMR-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(OC)CCOC2)cc1 1697492777 CTTAUAMQGWVSRL-GHTZIAJQSA-N 429.477 1.400 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cc(C)oc1C 1698058341 FDTCVIMRIOVFQX-JOCHJYFZSA-N 444.536 1.998 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698486826 SIONSXZHMFECEL-KCQYIYACSA-N 436.451 1.232 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNS(=O)(=O)c1ccccc1 1705503658 AWQBVOMXPDDYDT-AOIWGVFYSA-N 447.561 1.439 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cncn2)CC1 1705634296 QSUUYIWSFPMDLY-UHFFFAOYSA-N 430.314 1.083 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1705662105 QHBYMFFWKHZEHF-CYBMUJFWSA-N 442.998 1.570 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1705740492 NDQBGNRKVXKGJP-KNQAVFIVSA-N 446.552 1.834 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1705830161 KGIBMVKEHLYGEB-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1705904892 BLTRHJFQKAAKJE-UHFFFAOYSA-N 438.511 1.818 30 10 IDEE C=CCSCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1705949705 GOCODXZWIHCAOY-ZDUSSCGKSA-N 427.556 1.007 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1706038498 FAQJSZYTKBGNOF-HZPDHXFCSA-N 446.533 1.046 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CN1CCOCC1 1706405297 HNYJIIACGDLYQQ-QGZVFWFLSA-N 439.564 1.980 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)c1ccccc1 1706889498 GAWAAHJRGQPRRL-ZFWWWQNUSA-N 440.476 1.409 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1706935150 MXLMRQZOUMQAKN-FUHIMQAGSA-N 436.582 1.584 30 10 IDEE Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1707917375 VTIOCOOWNHUPDC-NXVVXOECSA-N 436.398 1.348 30 10 IDEE COCc1nocc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1712228214 WDYJBXXSYAPOJU-SCLBCKFNSA-N 437.526 1.201 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCOC1 1712443267 WVBWDGUSKXZUEG-DENIHFKCSA-N 427.505 1.806 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1722294568 HKNNGEIUYVRURQ-MOPGFXCFSA-N 436.626 1.056 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1722330219 QAPDFSNMHUKRKG-FQEVSTJZSA-N 447.543 1.710 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722397103 MZNPTAVJSCYRSP-FPOVZHCZSA-N 434.544 1.913 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)CCCO2)CC1 1722448889 BXTCLNXWPCCVCJ-HSZRJFAPSA-N 439.564 1.675 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1722509378 XDQMCLRIIGGGEC-ICSRJNTNSA-N 426.521 1.616 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722600659 RJUAVOFJESGERX-SFHVURJKSA-N 429.569 1.330 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)cc1 1722705447 YVBRRTOYATXHHS-UHFFFAOYSA-N 445.545 1.248 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1722724435 WUAOOOYHSQZVHY-UHFFFAOYSA-N 427.571 1.928 30 10 IDEE CC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cn1 1722802877 AQSTUKATPPLTHH-FQEVSTJZSA-N 426.456 1.244 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOC2=O)CCOC1 1723675864 JFHGJLNSANSVSM-UXHICEINSA-N 436.488 1.603 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1728903100 AVVNQUKEJYJJER-JTSKRJEESA-N 443.504 1.790 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1729738881 COVBGOAFKLDBKY-UHFFFAOYSA-N 429.550 1.040 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCCC2)CCO1 1731185833 GGXQDFDZUZXWBH-KRWDZBQOSA-N 444.923 1.895 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740566683 JEMNQGAVGLUMQH-HRAATJIYSA-N 449.552 1.929 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740605023 LNMRKYLXGKMQPE-HDICACEKSA-N 435.536 1.490 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(NC(C)=O)cc2)CC1 1740688157 BAUFTLXOLBUNHJ-UHFFFAOYSA-N 437.548 1.373 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2Cc2ccc(C)n(C)c2=O)n1 1740689430 WIZBZZIJQAFILG-UHFFFAOYSA-N 435.532 1.694 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)COC)CC1 1740695543 WBABOLAHLIMWFD-UHFFFAOYSA-N 449.559 1.620 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1740700916 NCYMETJOJMDJEM-ZWKOTPCHSA-N 444.580 1.587 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)cs1 1742591178 DZKAYSVFMJEXKX-GOSISDBHSA-N 445.593 1.598 30 10 IDEE CCOCCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1 1747370626 LHEJRFXQOQNSKC-JOCHJYFZSA-N 444.536 1.602 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1748666685 FZBYSYSDOVITFC-OALUTQOASA-N 428.581 1.970 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COc1ccccc1OC 1748790854 NRJTXIAQJUXFQC-SJORKVTESA-N 432.546 1.973 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CC1 1748840761 JBIIIXMCGVUZJN-UHFFFAOYSA-N 434.525 1.781 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1748923124 UUNPEMRRCDMZAY-GOSISDBHSA-N 449.559 1.498 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2occc2C)CC1 1748988840 CREKSUAJZFWNMW-GOSISDBHSA-N 426.521 1.259 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)COC)CC1 1749627139 FUCWQEWEYBMOHP-UHFFFAOYSA-N 448.568 1.874 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)N2CCOCC2)C1 1749715368 SEHDFDOXYFXYDD-HXUWFJFHSA-N 425.533 1.817 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C1 1751281057 ACKZNBUPRPGFHO-HSZRJFAPSA-N 435.532 1.825 30 10 IDEE C[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1752148253 CUYLKXNGGZXICK-QFPXGYFVSA-N 427.509 1.277 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760138282 VQZBONWDUOFCJI-ROUUACIJSA-N 433.578 1.575 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760175618 NRDAYNCUWCQJFD-QGZVFWFLSA-N 444.561 1.828 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN1CCCO 1760199529 YHYHCAAWTNCLLJ-FQEVSTJZSA-N 435.528 1.636 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(CC)noc2C)CC1 1760257403 VWGUDSJYQMVFLS-QHCPKHFHSA-N 442.564 1.981 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)CC)CC1 1760262066 HTJRMKXNNYNJJK-UHFFFAOYSA-N 431.562 1.067 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1760263446 BNEMEYMQDCBSBF-HXUWFJFHSA-N 442.564 1.545 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2nccc(C(F)F)n2)CC1 1760271611 DKVABPJAHAXVOM-UHFFFAOYSA-N 429.475 1.972 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1760285472 HOEAGPVERGSWDQ-MRXNPFEDSA-N 429.546 1.934 30 10 IDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1760360408 ATNHJTICNFUPAE-QZTJIDSGSA-N 427.505 1.490 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1760515160 BLVLMHOMEVWNOC-HUUCEWRRSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC1COC(C)(C)OC1 1760519722 MZQNODCXMUDJMT-UHFFFAOYSA-N 443.504 1.811 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1760521010 HEXKFOQUPIYDSA-RBUKOAKNSA-N 437.548 1.242 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1760526642 DYYQGTQCTJNXCN-IBGZPJMESA-N 440.548 1.479 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCO[C@H](C)C2)C1 1760544463 ALRPYCXZSXHYJW-QUCCMNQESA-N 429.569 1.961 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1765044406 GVVYPUAAHAOIMH-SKOAFDGASA-N 441.536 1.665 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1766714825 MCODXGMKMMJGOB-HOTGVXAUSA-N 432.550 1.760 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766877562 YITXOPZOVIGBLW-MRXNPFEDSA-N 441.511 1.598 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1767481898 FBWMJFBWCULZRO-NNMXDRDESA-N 448.568 1.016 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1767943328 ARLYGAFRBSEABP-UHFFFAOYSA-N 430.534 1.821 30 10 IDEE COc1ccncc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769012538 RGCCURSQVZDQGT-DYESRHJHSA-N 428.493 1.499 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCN2CCCO)CCO1 1770748071 WLADAPWDPQHAKB-OALUTQOASA-N 441.492 1.429 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1770977974 DFXFJLDEUREUBA-QFIPXVFZSA-N 442.520 1.075 30 10 IDEE CN1CCC(N2C[C@H](C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)CC2=O)CC1 1848905038 HBVNUGAYRJTKCR-LJQANCHMSA-N 425.533 1.513 30 10 IDEE C=CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1c(F)cccc1F)[C@@H]1CCN(C)C1=O 1849208477 SDVYTSZGRGIKHN-IAGOWNOFSA-N 443.516 1.903 30 10 IDEE N#Cc1ccc2c(n1)CCCN2C(=O)c1cn([C@H]2CCCN(C(=O)C(F)(F)F)C2)nn1 1849384992 FYEZKKFTNAPWNA-ZDUSSCGKSA-N 433.394 1.864 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2noc3ccc(Cl)cc23)C1=O 1854175323 MSJBPGBZHCEGRZ-DLBZAZTESA-N 430.892 1.870 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCc4ccccc4O3)C2)CC1 1857056166 KSXYBBJGHPDNCE-PKOBYXMFSA-N 431.514 1.321 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CCCOC2)CC1 1857364473 CBCJDNWGJJNQIW-MRXNPFEDSA-N 431.514 1.843 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(OC)c(O)c1 1874337997 QLLPTNRBCXGTAG-SCDDIDHTSA-N 447.517 1.864 30 10 IDEE O=C(N[C@@H](C[S@@](=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883403626 XQKVTYYYBALETK-WRGVRERRSA-N 427.478 1.723 30 10 IDEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(COc2nccnc2C#N)CC1 1891355351 FWARGBVNZZSYMN-INIZCTEOSA-N 440.529 1.822 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2251309944 CSGHYHFSGIZZGC-LHUXKHBRSA-N 444.359 1.372 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631767 DMMDVRWTKCXCQU-UHFFFAOYSA-N 432.290 1.131 30 10 IDEE CC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255693723 IZHQMQRWCRAEOE-UHFFFAOYSA-N 432.330 1.951 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267011888 MAIREECQGWJSJE-MOPGFXCFSA-N 441.337 1.823 30 10 IDEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267091906 SRAZJRIQLMCHBG-VXGBXAGGSA-N 444.263 1.628 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130340 NFOYISAFCMPOMZ-DZKIICNBSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267590549 QEEZOZRKAUIUEX-UHFFFAOYSA-N 449.357 1.730 30 10 IDEE CN1C[C@H](C(=O)N[C@@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2268643702 LEVBRDFVXBLRAT-HZPDHXFCSA-N 449.357 1.901 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2272632276 DUJIBCLRTPDGDS-RCDICMHDSA-N 444.341 1.763 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2Cl)OC1(C)C 2282305887 FMSGVSBDMGNYCP-SECBINFHSA-N 441.789 1.166 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2282599644 QBHAQJNFUOAIKC-LJQANCHMSA-N 449.364 1.878 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2327379848 IMMVWWSFAKVELP-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@H]4CS(=O)(=O)[C@H]4C3)c(Br)c2)OC1(C)C 2336518875 BECHZKGFSXSGNA-GWCFXTLKSA-N 429.145 1.377 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2367834677 UEXBHYHQGVFIRY-DXIQSLLYSA-N 434.558 1.755 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1OC 20292786 GXEXOQYSJLDQMH-FSJBWODESA-N 441.517 1.864 30 10 IDEE CCOCCC/N=C(/Nc1ccc(C(=O)O)cc1)N1CCN(CC(=O)NC(C)C)CC1 21046999 KTJHDYBWWKHDSE-UHFFFAOYSA-N 433.553 1.722 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2ccc(OC)cc2)CC1 58585806 YSOCBQCOSKUUGE-UHFFFAOYSA-N 429.546 1.419 30 10 IDEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)cc1 59817805 UTYRPKGTUGOOTO-UFWORHAWSA-N 427.494 1.982 30 10 IDEE Cc1ccc(S(=O)(=O)/N=C(\O)CN2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)cc1 96547018 NKDAAJWTFMYMLP-UHFFFAOYSA-N 436.534 1.683 30 10 IDEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 440183295 FNMFRKJNUUVWDF-UHFFFAOYSA-N 431.470 1.193 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 461322452 XVXBJHIXALIBEO-UHFFFAOYSA-N 432.502 1.685 30 10 IDEE CCO[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C12CCC2 466055238 MRJJTSIMXYIEFK-OALUTQOASA-N 432.546 1.922 30 10 IDEE N#CCN1CCN(C(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC1 486377788 STMYAGGVLOODBT-SOXBMFEASA-N 430.508 1.134 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 508496420 DKBKZRIRQVNRPH-ROUUACIJSA-N 433.534 1.375 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 508897787 YRVSOURPECFBNY-UHFFFAOYSA-N 434.460 1.860 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@@H]1CCCO1 514492070 OSRICRYWPWCEMQ-HNNXBMFYSA-N 445.516 1.266 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 526939043 GPULIAIVQHLMNG-QFIPXVFZSA-N 440.544 1.641 30 10 IDEE COC(=O)CN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)Cc1ccc(F)c(F)c1 532958687 WDYBSORQQCREKX-UHFFFAOYSA-N 447.442 1.457 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)n1 544878686 MFLLKJXUVHDOBP-UHFFFAOYSA-N 426.565 1.227 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccc(Cl)c3)CC2)n1 546929707 YMOQTQJFGBJXCN-UHFFFAOYSA-N 448.936 1.417 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 549278478 ASQZFIKJQPGACW-HNNXBMFYSA-N 426.568 1.588 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)nc1 555401397 VXPFMIZJLDFKSG-ROUUACIJSA-N 425.493 1.138 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 573508826 XPRBAGOWFXALKG-HXUWFJFHSA-N 445.612 1.321 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c(F)c1 586858976 NWTAVLALYIYEDU-NRFANRHFSA-N 449.486 1.263 30 10 IDEE Cc1nc([C@@H]2COCCN2CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)no1 611533478 GFWRTAMMPZNPOF-MOPGFXCFSA-N 428.468 1.300 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 612389087 CMPWBVNSVRELGR-KRWDZBQOSA-N 435.488 1.846 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)cc2C1=O 620448428 VEUFQJNBLJPBKI-CQSZACIVSA-N 428.470 1.585 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Cc3ccccc3OC)CC2)c1=O 726591788 NRMNVJDLYHVBNR-UHFFFAOYSA-N 426.517 1.465 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(CCc3cccnc3)c2=O)cc2c1OCCO2 727813646 BNRWEWAMGMYFHH-UHFFFAOYSA-N 446.488 1.354 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn3ccccc23)c1=O 729671155 PXRXZBOLBBRGDF-UHFFFAOYSA-N 436.537 1.856 30 10 IDEE C[C@@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 732651494 BKEUHSNEBJFMDT-FZMZJTMJSA-N 431.290 1.632 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)cn1 733077529 BHMLMSMZAKHTGT-IERDGZPVSA-N 449.577 1.516 30 10 IDEE CSC[C@H](C(=O)NS(=O)(=O)c1cc(C#N)ccc1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 734292466 QAQJJZUSKXIILS-BZUAXINKSA-N 449.554 1.578 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1nc(-c2ccccc2F)cs1 737304806 CFXYHNQVPDJMDH-FOCLMDBBSA-N 429.433 1.530 30 10 IDEE CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C1CCC[C@@H]1S(C)(=O)=O 741451381 NWBAJUFEAWQIHQ-HNNXBMFYSA-N 432.524 1.990 30 10 IDEE Cc1cc(C)c2c(=O)n(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)sc2n1 743347510 AUYSBAOSYOZQAQ-UHFFFAOYSA-N 443.554 1.911 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(OCC#N)cc2)cc1 747312699 JNINKAKESNYGJG-UHFFFAOYSA-N 441.469 1.344 30 10 IDEE Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 756780787 UOUQOZZNIJFKQV-QGZVFWFLSA-N 428.443 1.655 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2ccnc(O)c2C1 757649678 YLQJQGLIHJTMMD-UHFFFAOYSA-N 428.514 1.971 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 758661137 FDYVUWSKCXUPIV-CAPFRKAQSA-N 447.499 1.378 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1C 772280295 ZLZOGPWZNUJPIQ-UHFFFAOYSA-N 434.359 1.937 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CCS(=O)(=O)C1 774219391 HTONSWVZWHREQT-GJZGRUSLSA-N 427.473 1.699 30 10 IDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 780205676 NCAVDNSWXAJTRP-YPMLDQLKSA-N 435.358 1.696 30 10 IDEE Cc1ccc(-c2ncccc2NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 782598309 FPRZNOFTHOMMOS-ISLYRVAYSA-N 425.470 1.700 30 10 IDEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 783407334 AIEVGARWGBLVCS-KRWDZBQOSA-N 444.879 1.057 30 10 IDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)OCC(F)(F)F 788905750 VKQXCAXGDXANKA-SFHVURJKSA-N 426.347 1.800 30 10 IDEE CC(C)CN(C(=O)COC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 795822673 FDKKFQNQGZUOPC-OALUTQOASA-N 431.514 1.455 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 803521842 QONADTQFOHPYIY-IBGZPJMESA-N 427.526 1.418 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 803747456 REKNUMZHRRRUIZ-UHFFFAOYSA-N 439.491 1.261 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 809892769 DVXQGMLCEJFGTE-HZPDHXFCSA-N 432.525 1.584 30 10 IDEE C#C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(F)cc1 812747945 HLVYJUAVMWUYGC-OAQYLSRUSA-N 429.517 1.931 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(c2ncccn2)C1 917380355 ZOWOHAQMSSVBQP-OAHLLOKOSA-N 428.518 1.081 30 10 IDEE COc1ccc(CCNC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1084244765 OGWHHORWUNMELJ-UHFFFAOYSA-N 441.517 1.603 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 1128860895 AGDWRHTYIATMMX-OAQYLSRUSA-N 431.489 1.446 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCC[C@H]3NS(C)(=O)=O)ccc2c1=O 1147831817 IFNZOWNJILSNDB-HUUCEWRRSA-N 436.559 1.461 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC 1170815236 JLEQIPNLUBHSAY-GJZGRUSLSA-N 432.539 1.425 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)N3CCOCC3)CCCCC2)c1 1180813126 LQTSKAGIVBIJCN-UHFFFAOYSA-N 435.546 1.442 30 10 IDEE N#C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1197629394 GJFSGEWUXOXQQV-CQSZACIVSA-N 426.926 1.535 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1286291890 WOHCKYPPTGQONF-GFCCVEGCSA-N 426.340 1.715 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1286299134 SLIDYHHQXFWSTL-LSDHHAIUSA-N 442.545 1.582 30 10 IDEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286355394 NGKIENVWAZMXMV-UHFFFAOYSA-N 448.571 1.794 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286395736 UJCFONZLZQIVMP-QGZVFWFLSA-N 447.536 1.159 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@H]1C 1286438444 VZJZFZNWPCSTDE-KKSFZXQISA-N 447.561 1.195 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1286443138 ZWSJXXUVOJVYRT-UHFFFAOYSA-N 449.559 1.762 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286789984 YWNQDNAWKXWBCD-UXHICEINSA-N 441.532 1.564 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)CC)C1 1286806587 WDFAKPMGGGBAAM-KRWDZBQOSA-N 448.545 1.932 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCC2)C1 1286810207 OKJRQCCLMLOTGL-IAGOWNOFSA-N 439.582 1.583 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1286844335 FJFOFBSQHVQLBW-KRWDZBQOSA-N 430.534 1.166 30 10 IDEE CC(C)OCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1288382720 AVBAAKNBNGBXPY-AEFFLSMTSA-N 436.582 1.172 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1291248207 NVBDURZPENHGDF-SAZZCXPWSA-N 430.509 1.661 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1297836771 RSENDLRMOBKTNV-GJZGRUSLSA-N 445.463 1.634 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1298086283 AVZIJDUDNWWPBZ-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300498532 LJJHIICINCHVGX-KNQAVFIVSA-N 446.548 1.796 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300502401 SOJRYOPZVWVGGN-QGZVFWFLSA-N 434.587 1.862 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)CC1 1300695797 JZGKSGBMEGPPAW-UHFFFAOYSA-N 446.559 1.658 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(C)noc2C)CC1 1300722022 FZCMJBWXCODSLV-GOSISDBHSA-N 439.520 1.043 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1300948812 BKJIJOYJIKVHJO-LJQANCHMSA-N 443.596 1.624 30 10 IDEE COC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1301026381 LWQDRXCPRLEONX-DLBZAZTESA-N 446.502 1.985 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](OCC=C)C1 1301498649 RPWXZXKAEDMGOC-OAHLLOKOSA-N 435.488 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301592840 DPJHLGXMZHWGAL-IPMKNSEASA-N 448.593 1.459 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccsc2Br)CCO1 1303003272 DOCVJKPHQPUPNY-NWDGAFQWSA-N 437.323 1.830 30 10 IDEE N#C[C@@]12CN(c3ncnc4cc(I)sc34)C[C@H]1CS(=O)(=O)C2 1307214977 AYGATUHWNPGTRO-SDBXPKJASA-N 446.295 1.670 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1312540055 YOCHWOMUKROVTK-UHFFFAOYSA-N 434.440 1.920 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1314542127 YWRMOVUIBOTDIZ-HDICACEKSA-N 446.533 1.050 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1314562190 HOFVWVVHCSOGKA-IYBDPMFKSA-N 448.549 1.282 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1)OC 1315792044 CVBOENIEWANFCQ-FQEVSTJZSA-N 436.520 1.986 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccn(C)n1 1316205867 JEZHGCKJKDLAGE-APWZRJJASA-N 428.541 1.155 30 10 IDEE CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)CC1 1322235753 AMTUARWJWHVKOB-HXUWFJFHSA-N 445.523 1.866 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 1335692570 IZOXHVKJZAFGQE-GKCIPKSASA-N 430.505 1.926 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358962753 WBMFIGVJAKFGDN-QYZOEREBSA-N 435.594 1.487 30 10 IDEE C#CCN(c1nnc(CC)n1CCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1358963152 CQODASMFWQQMBJ-KRWDZBQOSA-N 426.546 1.826 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1358989589 INGINDLHJMAVNX-UHFFFAOYSA-N 427.530 1.452 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCC[C@@H]1NC(=O)NC1=O 1359063137 HXJOWDYIBQTHCA-YCRPNKLZSA-N 429.525 1.177 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1359269009 LLQFQQAJEUZPJC-NRFANRHFSA-N 448.545 1.690 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccc2)CC1 1359291360 NICJHHJWBJDGIQ-UHFFFAOYSA-N 439.564 1.825 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)C(=O)C2)cc1 1359306716 OLOZXLPBBVKPBA-UHFFFAOYSA-N 438.532 1.840 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)N2CCOCC2)C1 1359323774 WQFLSOKZWXMPCA-IBGZPJMESA-N 441.532 1.518 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 1434930497 XPVJRDJYLUSEJS-INIZCTEOSA-N 442.516 1.215 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OCC(C)C)CC2)s1 1442924017 CXRJZGDVMBRESN-UHFFFAOYSA-N 429.564 1.692 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)C1 1444734668 UNWDRLOBMSSXRQ-BFUOFWGJSA-N 446.305 1.251 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1450158491 PFCSVTKZNRIUCM-SECBINFHSA-N 434.172 1.769 30 10 IDEE CCOC(=O)CON=C(C(=O)N1Cc2ccccc2C2(CCN(C)CC2)C1)c1cc[nH]n1 1454257525 GQWOWHOMLYYTOQ-UHFFFAOYSA-N 439.516 1.699 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1458040048 SFCHJGIJKATZCA-IIBYNOLFSA-N 448.545 1.742 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 1461385614 JHHPZPFNBSEFGC-INIZCTEOSA-N 437.562 1.863 30 10 IDEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1470490940 UFGIXWSQZMBUDS-KRWDZBQOSA-N 439.520 1.650 30 10 IDEE C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1475293005 XJVRDLRHYBEMMA-JTQLQIEISA-N 439.271 1.683 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1=O 1478705138 AIJLITQYRYVLPZ-NHAHXKBOSA-N 448.520 1.457 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)C2)cc1 1478945626 VCOWRRUZILBMET-UHFFFAOYSA-N 440.525 1.766 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1501406936 IEYSGKORBYCTAQ-UHFFFAOYSA-N 437.548 1.990 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CCO1 1504724007 YSCYTYWUHUBNIW-PMACEKPBSA-N 427.505 1.864 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1505120331 BHNKRRPHPNEGTL-GOSISDBHSA-N 445.545 1.657 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1507538357 LSPMWEWXHYXPAG-HKUYNNGSSA-N 445.589 1.627 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507593602 RQGRNZGFRBHPJJ-SFHVURJKSA-N 442.589 1.842 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1507633483 FCIPCJMMJLENGU-MRXNPFEDSA-N 443.558 1.099 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1507659313 ZWEXQSNUGLCOLZ-FQEVSTJZSA-N 449.559 1.745 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507690810 XMMJORFIUTYUFW-KRWDZBQOSA-N 425.518 1.473 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1507804207 FAJHTBUJIVHVOP-HLIPFELVSA-N 430.553 1.344 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1507820693 KHPBQBRCTWWFLX-QGZVFWFLSA-N 437.570 1.219 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1516783815 IMDNIFWWAJDKJD-APWZRJJASA-N 447.561 1.882 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C[C@H]1O 1517687903 FDYZTCRWOQIAOF-BHIYHBOVSA-N 425.489 1.604 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1nnc2n1CCCCC2 1519166663 XESIFOLSUSXYMY-QGZVFWFLSA-N 428.541 1.905 30 10 IDEE C#C[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)c1ccc(Br)cc1 1525053973 HUYXIKDOBOPZTF-NJAFHUGGSA-N 445.317 1.962 30 10 IDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(N2CCNC2=O)cc1 1529885355 CUGYFGMGWAJREK-ZDUSSCGKSA-N 427.486 1.132 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4ccnc(F)c4)CC3)C2=O)cc1 1533349683 LVCHKZKPQKMRIQ-GOSISDBHSA-N 436.447 1.646 30 10 IDEE CC(C)(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1COCC12OCCO2 1535565661 IRORFDJKCBVQLY-QGZVFWFLSA-N 437.518 1.024 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnn(C)c1 1539101738 HDQYTPSTXPBZPR-UHFFFAOYSA-N 441.561 1.979 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1539219257 BPKYOQOPKSNOPY-ROUUACIJSA-N 432.550 1.433 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1539229488 DWUGDGKRMHSDLM-ROUUACIJSA-N 448.618 1.520 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1539370545 XGXMHENOKILGOV-INIZCTEOSA-N 443.639 1.992 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1539390769 VEWJRSCVHJDWNR-GOSISDBHSA-N 440.479 1.850 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539830290 RTMLVMVPYIFZBA-CZIZESTLSA-N 441.536 1.879 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1540862284 XLDVHEMWHFGLBX-UHFFFAOYSA-N 427.465 1.189 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1540885137 CEFCVTKTJSXQGW-SFHVURJKSA-N 430.534 1.537 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@@H]1O 1541866314 ICKHGRMDMBIZTE-OPYAIIAOSA-N 440.548 1.657 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1542624485 FLJMHCWXNKRZHA-IBGZPJMESA-N 436.468 1.549 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1543866531 XIDQCAHIRGKPAV-AHRSYUTCSA-N 449.573 1.920 30 10 IDEE CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1554177264 ZNECICOQTZBIBC-IDYLYPCZSA-N 438.488 1.998 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCO1 1555385267 DBWVSSPCVXWXLX-FQEVSTJZSA-N 440.548 1.779 30 10 IDEE C=CCNC(=O)CNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1566894752 PCWIAUDMQGOPJU-UHFFFAOYSA-N 442.467 1.820 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1586110818 DGZJTNTZDWQXMW-UHFFFAOYSA-N 440.525 1.778 30 10 IDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1587043765 HJZKZFGSMGHAHD-NRFANRHFSA-N 436.530 1.680 30 10 IDEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1587777922 VTUGJFRBPNGDHL-UHFFFAOYSA-N 445.593 1.587 30 10 IDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588058787 CHICFTHACBXAAX-QGZVFWFLSA-N 449.964 1.237 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1588064739 OCOABJXRRCJRKZ-RBUKOAKNSA-N 427.530 1.583 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588073760 DHCOLJOWRLOPAC-MJBXVCDLSA-N 436.456 1.191 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)N(C)C)c1 1588074541 OILMHNCEAPLRRW-UHFFFAOYSA-N 432.528 1.531 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1588385411 HODVLHZJYMFPRQ-MRXNPFEDSA-N 438.941 1.167 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@H]1C 1588459347 TTZMAMRWHXTXJO-SBUREZEXSA-N 441.507 1.833 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2ncc(C)s2)CC1 1588723668 ONMSZCWTJIZTHV-INIZCTEOSA-N 427.578 1.838 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1588732757 FWZBXGXCVGQFFN-AUSIDOKSSA-N 429.613 1.682 30 10 IDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594793477 ONQXGJLMKKLPAB-UHFFFAOYSA-N 442.520 1.366 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccnn2)CC1 1595516306 DJFRHAZPWZAQMF-UHFFFAOYSA-N 443.515 1.990 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1617368209 LRSMLNJGYUZLRP-MRXNPFEDSA-N 438.941 1.657 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1620045503 VVPBDYNKJMXAML-WMZHIEFXSA-N 438.532 1.927 30 10 IDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1620062630 CAULIRSNKSGMFZ-SIKLNZKXSA-N 443.504 1.122 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 1626918768 YDFOTEFAOROPET-HNNXBMFYSA-N 434.539 1.964 30 10 IDEE C#CCCN1CCC(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1629898364 WRKUIWJMUDDINR-KRWDZBQOSA-N 427.567 1.015 30 10 IDEE CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1632880635 VPPLVARNLAFEPT-LYHOESIGSA-N 428.489 1.970 30 10 IDEE C#C[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1636623263 OQCRRLTZWPVAOV-RYUVBPIJSA-N 434.492 1.871 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)CC1 1641767108 MUZWECLTBDLZFJ-UHFFFAOYSA-N 429.498 1.169 30 10 IDEE Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)cc1S(=O)(=O)NCC#N 1643029229 QTPSAQILDMPGLY-SFHVURJKSA-N 432.546 1.708 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 1643047053 LKHPCTUBWBSGCX-UHFFFAOYSA-N 445.497 1.633 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 1644284649 AROKVDWPBKVHIO-UHFFFAOYSA-N 434.905 1.753 30 10 IDEE N#C[C@@]12CN(CC(=O)NCCc3ccc(OC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1648416411 ZWWGOBPNVBSIJA-YOEHRIQHSA-N 431.436 1.114 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1648542164 GMLMUDXSKYNRAV-QGZVFWFLSA-N 431.489 1.402 30 10 IDEE C[C@@]1(C2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1652066136 KSUPYTCXSQXHLL-JTSKRJEESA-N 439.472 1.500 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(N3CCCCCC3)cc2)c(=O)n1CCO 1653036721 FFNKTIGGWNFJQO-UHFFFAOYSA-N 425.489 1.202 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1665153726 BAXRASOCHSEMPJ-SJORKVTESA-N 439.534 1.961 30 10 IDEE C#C[C@H](NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)[C@H]1CCCO1 1665314610 OBEPUYVKXMPWEE-JKSUJKDBSA-N 432.525 1.654 30 10 IDEE C#C[C@@H](NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1682356288 DQFHOSXHPINTRX-LSDHHAIUSA-N 430.324 1.083 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1685656726 BDTQOAARSLZZNH-UHFFFAOYSA-N 436.534 1.422 30 10 IDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1689916138 ASQAFJRMUDDGPL-UHFFFAOYSA-N 442.520 1.846 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1690189323 XATNBVDLHWQPJQ-OAQYLSRUSA-N 444.561 1.689 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 1690302676 JKFPIKIPSZBFGM-KRWDZBQOSA-N 448.545 1.941 30 10 IDEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 1690510822 GCKAEDLOZPAVJY-HXUWFJFHSA-N 438.532 1.825 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1 1690670433 BOCVRRWDJSGAOX-QZTJIDSGSA-N 429.546 1.824 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1691004543 SCOVXUQYKVQTCM-WOCWXWTJSA-N 437.566 1.504 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1692585772 NSCKLQLAXSZOTC-FPOVZHCZSA-N 437.516 1.692 30 10 IDEE Cc1cccc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1693210536 HQTNYDVAZMWBGM-DENIHFKCSA-N 426.521 1.994 30 10 IDEE CC[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694867355 KWOCXKBCWGGGDN-MODMUFLJSA-N 441.536 1.553 30 10 IDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)cn1 1695789180 FYEDXEZFRLUWQT-UHFFFAOYSA-N 443.533 1.474 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696478767 RLTAOXJFZNMVCV-UHFFFAOYSA-N 438.513 1.915 30 10 IDEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)C1CC1 1697156979 FQWPUCKRFLAZBR-HXUWFJFHSA-N 437.548 1.452 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(=O)N(C)C 1698232648 HVTUTSCSFWPGMU-ICSRJNTNSA-N 426.521 1.988 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)CCO1 1698491266 VXDXUHSHLDWASB-CQSZACIVSA-N 433.563 1.882 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705514929 NNQJMMFVDHLLNK-HNNXBMFYSA-N 433.534 1.823 30 10 IDEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705520141 JSZCIGIESYWQSJ-GOSISDBHSA-N 436.516 1.116 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1705549711 FOOIXWAXRNKLDQ-UHFFFAOYSA-N 442.545 1.475 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1705566482 NTAWZVGOSJNNHB-IRXDYDNUSA-N 447.561 1.706 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705567329 WQVUFCXAFOXMHW-ROUUACIJSA-N 427.530 1.213 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(C)cc1 1705573885 PUEUWTYEYNRNKQ-QZTJIDSGSA-N 429.546 1.737 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@@H]1OC 1705624017 NEWKBFFFXBJXAT-QUCCMNQESA-N 436.520 1.822 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1nccc(C(F)(F)F)n1 1705627115 WBTOTZWIRTYVFL-UHFFFAOYSA-N 432.410 1.873 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@@H]2C)n1 1705631514 HWOAIWJPSPJRAY-RCCFBDPRSA-N 446.577 1.319 30 10 IDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)CC)CC1 1705638467 LWCOKTZLYRXVRY-UHFFFAOYSA-N 426.546 1.616 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705640904 KAEAZENHCMYCBJ-NHCUHLMSSA-N 437.592 1.518 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1705863144 JFWUELSSXPGFSV-AWEZNQCLSA-N 425.530 1.991 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCn2nc(C)nc2C1 1705932876 MMRRKOKFJQRRRK-UHFFFAOYSA-N 427.534 1.774 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1711367401 MGPLGYAMAJVKIJ-INIZCTEOSA-N 427.490 1.098 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722341674 LLPOLIMWHOXUOD-UFYCRDLUSA-N 444.580 1.998 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1722371014 QMPFNDOMKSBOGI-UHFFFAOYSA-N 438.919 1.461 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722397852 VRZRRSMWCZPVMT-MOPGFXCFSA-N 434.548 1.746 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC(O)CC1 1722416333 LPIHVYLBARNPLY-UHFFFAOYSA-N 430.578 1.576 30 10 IDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722623600 JPEKXPVIYUKQOG-KRWDZBQOSA-N 444.561 1.880 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1722698254 CNWHWFGHFSOPMG-SFHVURJKSA-N 440.504 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Cn2cccn2)CC1 1722728577 XOVPDDZSAWOAOY-UHFFFAOYSA-N 442.549 1.449 30 10 IDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)C1CC1 1728504361 JCVKMWFOKKSTJG-UYAOXDASSA-N 438.532 1.661 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1729722883 CTUCZHMVTJVUHT-AOMKIAJQSA-N 440.504 1.249 30 10 IDEE COC[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730456327 GFWGWGKIAWSGIR-CQSZACIVSA-N 436.520 1.957 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1730955421 JNBIGPSTWSOGMO-VJANTYMQSA-N 432.569 1.851 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740593443 DUBSLNIBFYZDOK-MRXNPFEDSA-N 441.605 1.836 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1740774642 XCNOHVLKBGBROK-LPHOPBHVSA-N 427.571 1.174 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1740890765 IMYHUVRZYHHVQO-MRXNPFEDSA-N 429.550 1.804 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1740962070 ROQIMSZBHPYBFM-UHFFFAOYSA-N 442.527 1.764 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1743295492 JQCMQOIMEYXWDZ-VBQJREDUSA-N 434.522 1.216 30 10 IDEE CO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1748402744 JCOPTDSJYKULAQ-GRYCIOLGSA-N 426.465 1.452 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1748563970 ANPKTAXTLKRPKQ-XOBRGWDASA-N 449.533 1.108 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1748639118 BWYQCLJAMXNQAY-ULQDDVLXSA-N 430.578 1.797 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC1CCOCC1 1748785116 YYKWDKZSUHPWQS-UHFFFAOYSA-N 436.516 1.847 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)COC)CC1 1748979971 VFQIMVCVFSUBJX-KRWDZBQOSA-N 431.562 1.386 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1749116024 YQHUXAYTHLAPMW-MOPGFXCFSA-N 432.569 1.750 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749232144 DOPSSNUJNGPFQW-UHFFFAOYSA-N 427.553 1.067 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1749457624 NQYCBKQLUUZWCK-MSOLQXFVSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)=O)CC1 1749664619 UNIOZQAQRZVFOL-UHFFFAOYSA-N 447.337 1.678 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749666588 NFSGBDWIVUTERH-UHFFFAOYSA-N 441.536 1.865 30 10 IDEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750035434 NZVLNAWRRKRDKP-UHFFFAOYSA-N 433.520 1.403 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1751431336 BTELCGYMTLMGTQ-CRAIPNDOSA-N 447.565 1.040 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1760233706 ORAUSRWUQJUPGX-GOSISDBHSA-N 436.564 1.826 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccsc1 1760242733 MQYGAJXUTBBDIA-OAQYLSRUSA-N 440.529 1.981 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(-n2cccn2)c1 1760250341 GDRZXJLRRCBXKV-UHFFFAOYSA-N 445.531 1.855 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1760259911 IHUUVVKGQHTVSB-JOCHJYFZSA-N 446.559 1.802 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCCOC)CC1 1760260447 SODRRBQTNUGCNI-LJQANCHMSA-N 438.532 1.058 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC=C)CC1 1760261781 BYAJPRCKTXDOSN-UHFFFAOYSA-N 449.527 1.503 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCN(CC)CC2)CC1 1760266482 ZWQIBWCDUBVNQO-HXUWFJFHSA-N 443.640 1.785 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1760465129 XMCGDJPQVSSUSQ-KBPBESRZSA-N 433.625 1.082 30 10 IDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760476462 UAIPFEUJNIWCTN-QGZVFWFLSA-N 433.582 1.576 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1760483344 MWPXYADEHREWAF-CQSZACIVSA-N 438.529 1.308 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1760521355 QMRZHCLYOLPIQN-BPUTZDHNSA-N 430.534 1.559 30 10 IDEE C=CCSCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760568289 DWDLJPBKMCDLOC-LPHOPBHVSA-N 444.623 1.861 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1767061703 CNMFSUDRYAPIEX-AWEZNQCLSA-N 435.410 1.416 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1769140293 DRLMJNHOEQQIGC-OAHLLOKOSA-N 432.488 1.848 30 10 IDEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F 1769600342 JPPNFWYOSCWDCK-CVEARBPZSA-N 449.437 1.998 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1771040527 WXFBNBHGJOMTNO-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1848955323 PIAVAAXUEQYFCM-UHFFFAOYSA-N 446.573 1.988 30 10 IDEE CC(C)N(CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)C(C)C 1850013833 GDJSDIALEGECDW-INIZCTEOSA-N 440.532 1.334 30 10 IDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H](N1CCS(=O)(=O)CC1)C(C)(C)C 1851722924 PIIGRJSEDICCLU-CJNGLKHVSA-N 441.985 1.766 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1852966895 RVGQVNPJOUCACP-UHFFFAOYSA-N 429.498 1.787 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)Cn2cncn2)CC1 1854425918 RJQQOJYUOXULPV-UHFFFAOYSA-N 429.502 1.515 30 10 IDEE C[C@H]1C(=O)N(C(=O)CCc2ccccc2Br)CCN1S(=O)(=O)CC#N 1854721954 CHEAXHMDNOTILL-LBPRGKRZSA-N 428.308 1.294 30 10 IDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CC(S(=O)(=O)c4ccc(F)cc4)C3)C2=O)c1 1856462485 SIFYOKRPGOGZET-IBGZPJMESA-N 427.457 1.597 30 10 IDEE CC(=O)Nc1nnc(S(=O)(=O)N[C@@](C)(C#N)c2ccc(Br)cc2)s1 1858044144 IRRGKWNCFZRGNG-ZDUSSCGKSA-N 430.309 1.976 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CC)nn2C 1864323802 SNUAQFWSWBZFEX-GOSISDBHSA-N 439.516 1.494 30 10 IDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1870141825 MFDKMERQRSKPAM-UHFFFAOYSA-N 429.396 1.332 30 10 IDEE C#CCOc1cn(C[C@@H](C)O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870561914 ISXKVFRNKULBSY-GOSISDBHSA-N 439.512 1.288 30 10 IDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562319 XOGUFDGLRAFFSL-UHFFFAOYSA-N 426.565 1.992 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)cc2)CC1 1890073818 AJVIUKGZTLFNFT-OAQYLSRUSA-N 447.495 1.551 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1 1891882179 ZETTWGDHNLNNKS-SFHVURJKSA-N 444.488 1.783 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)NC(=O)OC(C)(C)C 1902005580 INUXDNNZMDZJRH-OWCLPIDISA-N 425.526 1.637 30 10 IDEE C[C@@H](C#CC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 1902015620 AHTIHSBSBLXHMS-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE C=C(Br)CS(=O)(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 2054336213 BMAYYDDYYFYDBI-UHFFFAOYSA-N 437.316 1.535 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2081010512 WRKMFCQOLGWAEG-VGWMRTNUSA-N 440.346 1.412 30 10 IDEE COCCn1nnnc1Sc1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172725257 MSFJVGJJSFBHOR-UHFFFAOYSA-N 442.148 1.927 30 10 IDEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2241773209 BBIAJGXZXHWEOY-FQEVSTJZSA-N 444.509 1.920 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247903075 DMKAECYKUJDKHA-DGCLKSJQSA-N 440.293 1.893 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2255628217 FKOBZGWYAKYWOT-DZGCQCFKSA-N 432.330 1.790 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255819902 IQQFKVUGOYNVTG-KBPBESRZSA-N 434.346 1.847 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3COCCN3Cc3ccccc3)[nH]n2)OC1(C)C 2255825855 GTMUEFZHTVBUKN-KRWDZBQOSA-N 426.326 1.340 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2255832990 VNFCQOVJSCDTOJ-GJZGRUSLSA-N 434.346 1.988 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256065369 XLWWCRJIMCNTCM-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265028 ZOXPRJXYRRCNMP-IIAWOOMASA-N 444.341 1.761 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267268891 AOWGAEOJACNIQK-IAGOWNOFSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2267585152 QVTCYLGMAOYKJR-KRWDZBQOSA-N 447.341 1.435 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881371 ZUDSBUBGDSRAQY-KGLIPLIRSA-N 448.329 1.140 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)ccc2F)OC1(C)C 2282506632 VLOKXDCWQNDVMV-INIZCTEOSA-N 427.303 1.651 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2337201351 UHETYIQBWVLNGU-QLFBSQMISA-N 446.357 1.847 30 10 IDEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n[nH]1 20424017 XPLVOUVRCXFEMZ-UFWORHAWSA-N 428.478 1.795 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)cc1 20906803 QNWKJCGERYQYII-DJKKODMXSA-N 447.502 1.335 30 10 IDEE C=CCNC(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1 65152060 OTZCDVDLRSARNG-UHFFFAOYSA-N 433.534 1.246 30 10 IDEE Cc1ccc(S(=O)(=O)NN=C2C[C@H](N3C(=O)c4ccccc4C3=O)[C@H]3CO[C@H]2O3)cc1 254438985 HNBAANRXJPVKLZ-UEXGIBASSA-N 441.465 1.439 30 10 IDEE COc1ccccc1N1C(=O)C(=NNc2ccc(S(=O)(=O)O)cc2)C(=O)NC1=S 263630213 OQIBHKZPNUFRPQ-UHFFFAOYSA-N 434.455 1.158 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446627094 DTMDKZYSPTXKGV-KKXNLOMOSA-N 442.564 1.885 30 10 IDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1 466109035 TVYOVLDKUPLTIF-AZUAARDMSA-N 427.549 1.959 30 10 IDEE CC1(C)C(=O)Nc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc21 493262305 VHTTXVFBPKQSLS-UHFFFAOYSA-N 438.509 1.935 30 10 IDEE C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CCC(=O)[C@]2(O)COP(=O)(O)O 504398641 VDOLADXQHJJIQS-WBUWLWIDSA-N 440.429 1.675 30 10 IDEE CCn1c(=O)c(C(=O)CN(C)Cc2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 506121159 GFRGXVDCJGKVAR-UHFFFAOYSA-N 431.496 1.847 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 508948443 ZXUXGQBUUVIHRW-IRXDYDNUSA-N 425.555 1.383 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 513560141 LJOLSNITEPMZIS-UHFFFAOYSA-N 439.559 1.450 30 10 IDEE C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513789005 BBTPERLXYVEWFZ-OAQYLSRUSA-N 441.465 1.570 30 10 IDEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 513790310 VUDLOOZDVQGYMO-OALUTQOASA-N 432.590 1.454 30 10 IDEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 516442228 MZJSPNIDXNKSMR-UHFFFAOYSA-N 441.557 1.814 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2C#N)c1=O 533120228 DOIJJMFKRPAIMX-UHFFFAOYSA-N 429.505 1.859 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)NCc3ccccc3CN3CCOCC3)CC2)n1 546919496 ZRXHOCOGXRLZRN-UHFFFAOYSA-N 434.544 1.224 30 10 IDEE N#Cc1nccnc1N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 585227170 OZFXLVDFHNEHCL-UHFFFAOYSA-N 429.502 1.704 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)CC1 596080022 WNDDXONAASWICZ-UHFFFAOYSA-N 428.514 1.641 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@H]1CCCO1 603798465 LOBPGCWDNHMINE-OAHLLOKOSA-N 447.582 1.115 30 10 IDEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 603800658 XLHAKYQXLRARSQ-QGZVFWFLSA-N 441.553 1.515 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCN1CCOCC1 726574461 GSBAYZMGGYSBMW-CQSZACIVSA-N 446.598 1.125 30 10 IDEE C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)c2sccc2C#N)C1=O 731719831 QFZPNAXNZKFELG-FQEVSTJZSA-N 426.454 1.751 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@](O)(C(F)(F)F)C1 741285393 JEPNUVPIMPQSTI-KRWDZBQOSA-N 433.452 1.811 30 10 IDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760619971 IXNSWXWZIMDGAR-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)C(C)(C)O1 764986227 BQUPWGRJGSKBKI-WZONZLPQSA-N 425.533 1.922 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCC(=O)c3cccc(F)c3)CC2)o1 767784432 HDFFEEFCYBYHPR-UHFFFAOYSA-N 428.420 1.849 30 10 IDEE C=CCOCCNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 780813107 FORVNDMMKFATOF-CYBMUJFWSA-N 447.351 1.839 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCCn2ccnn2)C1=O 784125740 RIZGZJQHKUAGCI-INIZCTEOSA-N 429.506 1.394 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=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)C1 787312854 AUWDNCUPMQEXRY-IQUBJULQSA-N 428.533 1.554 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)=NO1 789979721 UYSWAXSLYLNEGS-MSOLQXFVSA-N 427.505 1.893 30 10 IDEE CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 793003898 GYFAZADGNQHXNB-ZCXUNETKSA-N 433.509 1.769 30 10 IDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 793507138 BNFNVWUJHKUTGI-KKSFZXQISA-N 428.489 1.599 30 10 IDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 802454574 XZVAIZOHURCIKE-UTKZUKDTSA-N 437.548 1.452 30 10 IDEE COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802494488 CSWDMDGVQUCWAK-INIZCTEOSA-N 434.504 1.015 30 10 IDEE CCOC(=O)c1cnc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)nc1C 807979516 AMRNNXGLMJPVHK-UHFFFAOYSA-N 442.295 1.818 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 817542290 PUZBRSAHSYMILS-UHFFFAOYSA-N 449.529 1.060 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccccn1 1084034569 VKJMBJUWBXLBJR-UHFFFAOYSA-N 427.450 1.862 30 10 IDEE CCc1c(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1134507472 UINFNZDHBUJOTI-GOSISDBHSA-N 433.468 1.280 30 10 IDEE Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1135600103 SXAPHQXTJPGMSU-UHFFFAOYSA-N 441.381 1.674 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC)C(=O)OC 1155780209 ZJLMEYHSIDFOES-OAHLLOKOSA-N 432.477 1.505 30 10 IDEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157884561 IWSBBBNMHFAWCY-UMCXVIDHSA-N 427.523 1.144 30 10 IDEE C#CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1 1160147877 ZOBBORKWNBQVKG-HNNXBMFYSA-N 448.497 1.627 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 1164534049 CCRVDZHNVRFEFP-IMJJTQAJSA-N 437.518 1.073 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCCS(=O)(=O)C3CCOCC3)ccc2c1=O 1183495303 NHDGKWJADNOGEU-UHFFFAOYSA-N 437.543 1.195 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1286352881 OXCJARWFVVLYFD-SFHVURJKSA-N 431.518 1.286 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389757 QBCCTOIPUBTZKI-SFHVURJKSA-N 427.530 1.811 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)NC 1286399385 FXUQIUCWOHHTOH-SFHVURJKSA-N 429.546 1.657 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1286409054 HWJHBZVUPGDZIJ-IRXDYDNUSA-N 449.577 1.414 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NC(C)=O)CC1 1286792392 WQMPNHBERMTZKM-UHFFFAOYSA-N 426.521 1.573 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCO[C@@H](C)C2)C1 1286799449 WFUNCDRFKLRKTR-PMACEKPBSA-N 446.596 1.796 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1286823531 NVVOIYININQKBO-HRCADAONSA-N 429.612 1.670 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)CCOC1 1296615254 UQWXRWDCTXXQHG-NRFANRHFSA-N 428.493 1.236 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1300274080 UHVRWXBBAJITFW-IUVQAAGXSA-N 425.555 1.074 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1300464998 IRKHITGVHSPCBF-BHIYHBOVSA-N 447.536 1.938 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)CC)CC1 1300719070 NMNIKXKPZKZTDH-UHFFFAOYSA-N 429.546 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1301588631 ICGSTRXXZMLIRI-RTBURBONSA-N 437.610 1.695 30 10 IDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2cccc(COc3ccccc3C#N)c2)n1 1304087671 ZUEGXLJLPPRAKS-UHFFFAOYSA-N 425.470 1.730 30 10 IDEE C[C@@H]1CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1305048544 KBAODTVJEODNKA-RMYFCYLKSA-N 436.476 1.441 30 10 IDEE N#Cc1sccc1N1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1307926321 DBEFGUWMJMCVPR-UHFFFAOYSA-N 447.586 1.138 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1 1310132001 XGQDCSVVJHXZAX-SJORKVTESA-N 427.548 1.677 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 1313371220 MTELOPUUIFDUIC-UYAOXDASSA-N 432.546 1.779 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1315032157 AIGUCQKXXVRWCE-UHFFFAOYSA-N 430.534 1.356 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C[C@H](C)O1 1315932137 CAVYKCOTQPSJBB-LQWHRVPQSA-N 440.548 1.778 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1315971167 PBFYVDVIOJYVMK-NRFANRHFSA-N 430.509 1.923 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1358883832 CQKYLQNAWJEHKI-HNNXBMFYSA-N 427.534 1.435 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1358993002 CLKNJQKIOMDSOT-DVECYGJZSA-N 449.559 1.455 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(C)c2C)CC1 1359038274 PUUHAUCJHUOMQV-UHFFFAOYSA-N 438.561 1.115 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)CC1 1359165921 ZSPGLKCFMORIDF-INIZCTEOSA-N 428.580 1.161 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359183506 MSLHAOKFQHPINB-BFHYXJOUSA-N 427.527 1.605 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1359265079 XQZBHLWDRLASSL-GOSISDBHSA-N 429.569 1.806 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCNC(=O)C2)cc1 1359308895 BQCXVKRWVIOZMS-PXNSSMCTSA-N 427.505 1.551 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359343388 RWVSRJVGCQYXIL-MDZRGWNJSA-N 442.607 1.484 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)s1 1443449694 AIMGKLRRNNVFGD-UHFFFAOYSA-N 429.470 1.788 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CO2)C1 1453256191 HSVPSNRTPFPOHZ-IAGOWNOFSA-N 440.500 1.806 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1456475320 KMRLQWDKPDZLCA-HXUWFJFHSA-N 429.498 1.697 30 10 IDEE C[C@@H](CC(=O)N1CCC(N2CCCOC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1456480172 YNQAQVFZGKPQPE-AWEZNQCLSA-N 434.518 1.337 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](N3CCCC3=O)CC2)CC1 1460238421 FKJAYTHCCFSKDE-MOPGFXCFSA-N 429.590 1.934 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3cccc(COCC(F)(F)F)c3)C2)c(=O)nc1O 1469493875 YDECMAWXGMPHKZ-UHFFFAOYSA-N 437.378 1.666 30 10 IDEE CCOC(=O)[C@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCOC1 1469762120 CHKKYMIUGZSAHY-AVRDEDQJSA-N 428.489 1.713 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CCS2 1471532541 HABSSOYDKDRMAK-SDMXJPDVSA-N 444.561 1.786 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)O1 1478567419 IGPOWGLLQFXFEJ-QYZOEREBSA-N 428.489 1.221 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)CC1CC1 1499151739 DTQBEJXAGYVRAH-UHFFFAOYSA-N 429.550 1.259 30 10 IDEE CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1503504355 IQWUHYUCZIJEQK-VQTJNVASSA-N 435.488 1.695 30 10 IDEE COC[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504575104 CHFGEFBDPWOWDR-MAUKXSAKSA-N 428.541 1.652 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1507550229 VKXDVYWQNFIAPO-MWTRTKDXSA-N 447.499 1.331 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1507632727 PIJAJZHPJMDAOX-IRXDYDNUSA-N 440.591 1.163 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1507639820 MHJMUXAXABXQOS-HNNXBMFYSA-N 433.559 1.306 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1508100563 LQNCWBAXNWBZBH-OXQOHEQNSA-N 438.532 1.899 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC2CCOCC2)CCOC1 1516181236 GYSSHEGYSGBPDC-SFTDATJTSA-N 437.516 1.958 30 10 IDEE COC[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518692562 DNZIQKJJEPTPHC-JFRXWTBNSA-N 446.577 1.914 30 10 IDEE N#C[C@@]1(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CCCOC1 1523927241 JMYDVRDKNJXKML-NRFANRHFSA-N 427.892 1.855 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1538547627 NIEKTWWVTVUZDY-HSZRJFAPSA-N 428.533 1.964 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539078683 DPRXAQTYVNZNOB-GOSISDBHSA-N 433.582 1.461 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539222846 XJIVBJPUMOTTGB-ZWKOTPCHSA-N 445.520 1.238 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCN1CCOCC1 1539507665 YYRKHGAOUYZPTK-UHFFFAOYSA-N 429.546 1.809 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)CC 1539541173 BJRANAPXJYFPDS-WOJBJXKFSA-N 439.582 1.250 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539642699 JOLXRBTYGUDBDB-UEXGIBASSA-N 427.553 1.788 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1539751340 LKAAGTQZAUCOKQ-INIZCTEOSA-N 441.554 1.051 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1540187212 MEPUGTUPCSALMU-HNNXBMFYSA-N 431.522 1.185 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1540858403 VPIWVHINULDNRV-LSDHHAIUSA-N 435.554 1.195 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1 1540875205 DOWDAPLTNGIXQR-UHFFFAOYSA-N 430.484 1.390 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCOCC1 1541237592 AURCPYVLQXDERN-IPMKNSEASA-N 432.569 1.648 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1c1cnn(C)c1 1541650764 NHNYOVIUUWIIIM-QGZVFWFLSA-N 425.541 1.559 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1543310724 GBHUZKZPGZSZEW-QGZVFWFLSA-N 447.540 1.348 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1544248679 XOZVGXNRSXOCCP-QGZVFWFLSA-N 435.525 1.930 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1([S@@](C)=O)CC1 1548171119 GLUILHAYXQQBFG-SSEXGKCCSA-N 429.550 1.319 30 10 IDEE CN(C)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1552794992 GPMQFMCKAZWCOC-GOSISDBHSA-N 441.492 1.693 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCCCO)C1CCN(S(C)(=O)=O)CC1 1552922765 QXRWRHADOUHGKY-UHFFFAOYSA-N 446.577 1.840 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1558421730 JJMWOWPUGGXMJD-WBVHZDCISA-N 428.938 1.394 30 10 IDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CCC3(CC2)CC(=O)C=CO3)cn1 1558606572 ZPHRIDMNKKFTRI-UHFFFAOYSA-N 436.515 1.760 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)c1 1560037342 DNQNLSJEPZBJMS-JOCHJYFZSA-N 431.489 1.375 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1587500770 HIDNUICLSLBXAC-QZTJIDSGSA-N 448.495 1.991 30 10 IDEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1587835329 RUGNOXYLQBDJFU-LJQANCHMSA-N 427.505 1.717 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588050356 RRMSACAYZBTVCE-HKUYNNGSSA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588058859 DPQSQKGBVNXLML-JKSUJKDBSA-N 439.582 1.771 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1588129192 ZUZSQAFOXUCTKE-FCHUYYIVSA-N 446.555 1.307 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C1CC1 1588194126 PIFKJAIZALYQJF-QFIPXVFZSA-N 426.542 1.973 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1589125949 SODLLACBEWXRDN-VGOFRKELSA-N 447.605 1.792 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)Cc1ccon1 1594913408 JHOYRDIGHRJABP-UHFFFAOYSA-N 437.913 1.723 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595477691 XREVWYODHKZVIK-IVZQSRNASA-N 442.495 1.576 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(Cn2cncn2)CC1 1595561841 DKQSTIKPJRUDTO-UHFFFAOYSA-N 426.550 1.741 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(=O)N(C)C)CCCC2)C1 1595714438 NVDPPPFPEWUJHI-IAGOWNOFSA-N 430.553 1.659 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1 1595784997 PKRNHPZDNIRSEM-UHFFFAOYSA-N 447.561 1.613 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 1608226114 HVWSXZJPMJPNOP-KRWDZBQOSA-N 432.525 1.538 30 10 IDEE Cc1[nH]nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1I 1611246364 XXEJOUMRGYBKGR-UWVGGRQHSA-N 445.261 1.812 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613339168 VYILDUJYEJHZJM-OOADYSHXSA-N 445.568 1.475 30 10 IDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1617225998 MABRWESZSOXEAX-QNBXZPKWSA-N 440.566 1.313 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1618135621 GUTUXIJNLOQNAJ-HXUWFJFHSA-N 440.548 1.924 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1618378488 MEIZNPIKSYWTSB-INIZCTEOSA-N 449.292 1.565 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccnc(C#N)c3)CS(=O)(=O)[C@@H]2C1 1618800185 ABQGYDHXIJVRSA-DJIMGWMZSA-N 434.518 1.240 30 10 IDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H](O)CN(C)C(=O)OC(C)(C)C 1621715479 RUHLOEBWUJNFDP-HRCADAONSA-N 440.541 1.822 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CC2CCOCC2)ccc1F 1627333080 IDUSATCVLJOVIS-KRWDZBQOSA-N 426.510 1.948 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 1630017588 YOJBICLLJNHGLO-DOOHWEDMSA-N 448.545 1.741 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 1630908192 GJPWWQGOJBVROQ-QZTJIDSGSA-N 441.575 1.274 30 10 IDEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632361194 RHDNUCXLFFBLTI-IBGZPJMESA-N 447.488 1.227 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C(=O)OCc2ccccc2)cc1 1633280424 MJSCKHLTGNDMDM-LJQANCHMSA-N 430.482 1.598 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1641631647 PMHLFRKJPWIFAG-KRWDZBQOSA-N 426.542 1.941 30 10 IDEE Cn1c(N2C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1643149319 KTZWGUVGFOPHBE-ZYHUDNBSSA-N 431.415 1.095 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)n(Cc2ccccc2)c1C 1643673820 UZXJZNMMRMPAEH-UHFFFAOYSA-N 436.560 1.669 30 10 IDEE C#CCN(CC#N)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1645395458 PFSRCHDWHONQRR-GZTJUZNOSA-N 442.522 1.191 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)s1 1646195300 CSVLMZOBUOMGER-MRXNPFEDSA-N 425.576 1.805 30 10 IDEE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1646440150 XSWPUWHOYCVBOL-UEXGIBASSA-N 433.530 1.724 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc2c(c1)OCCCO2 1652093638 FJHILMRYVMBLKQ-UHFFFAOYSA-N 429.498 1.635 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)N(C)C 1653538827 AAHOFVHEASWSCT-HOTGVXAUSA-N 434.541 1.635 30 10 IDEE Cc1noc(C)c1COc1ccc(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1653760261 SUBRDHSNONYFIK-UHFFFAOYSA-N 435.440 1.630 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1655781285 RJSYCWPOXCRDSG-MSOLQXFVSA-N 448.545 1.605 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](C(=O)OC)[C@@H]2CCOC2)cc1 1658320826 NZLMHSBTTJXPAY-RHSMWYFYSA-N 425.507 1.440 30 10 IDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1659332870 BHGDFIVWEUIJNJ-FQEVSTJZSA-N 443.525 1.982 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)CC1 1669998346 HDSSDHIWGXITLI-UHFFFAOYSA-N 449.920 1.516 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1670762327 FKOBAVBPFBWOBT-INIZCTEOSA-N 447.561 1.710 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1689842657 GFUYZEHVBQTJMO-MPHHAOFMSA-N 434.456 1.658 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689916587 OFKWPHSZOAWGOL-FQEVSTJZSA-N 427.505 1.717 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689988954 ZJGPTABLUZNNAB-IEBWSBKVSA-N 445.593 1.037 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1690013542 SXCXFRGZZCOIFN-SFHVURJKSA-N 429.528 1.607 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOCC)C1 1690246369 SZZLNBUWBDCIDN-JPLJXNOCSA-N 433.553 1.842 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1690312822 DBTHEJDYUMYGKD-KURKYZTESA-N 441.598 1.686 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1)C1CC1 1690545490 SHDOOIDEFTZKDF-QGZVFWFLSA-N 438.598 1.250 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690658925 DSBAHGJZMYDWRF-CALCHBBNSA-N 426.477 1.011 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCc1cnccn1 1690674273 VKXCQEPHCSHQPQ-UHFFFAOYSA-N 431.504 1.288 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690715661 QPBZGOLAPGWZPD-UHFFFAOYSA-N 446.581 1.243 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690724305 LRVQSCMHUYAIQV-QZTJIDSGSA-N 437.610 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690731625 OJBOIRGWSNSZAM-IAGOWNOFSA-N 433.534 1.783 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1692593784 JCBFVKGKTBTIRU-XMSQKQJNSA-N 448.568 1.158 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1O 1693886162 ZIQVNGYLKJPZIR-JWKLYUKHSA-N 427.505 1.476 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1696429006 FVXUJPYRFAABST-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1696578123 FOGVWYOJUWABNJ-DYESRHJHSA-N 441.515 1.120 30 10 IDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1698278108 BIIUFSHNOSEZEP-SJLPKXTDSA-N 431.518 1.389 30 10 IDEE CS(=O)(=O)CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1698302527 MNBUFFLFMBOVRQ-UHFFFAOYSA-N 436.582 1.859 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1cc(CO)nn1 1705481746 MFCYPRUCDCKETE-OAHLLOKOSA-N 425.493 1.594 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705533400 XEWWZEPLZDHUQD-SFTDATJTSA-N 430.597 1.427 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705560351 FZSNKQNSULNOMQ-QFBILLFUSA-N 427.530 1.726 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705566006 LFWHIJZTXQFNJW-NQIIRXRSSA-N 448.593 1.493 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1705634728 HHDCKUYZYFHONG-XUZZJYLKSA-N 444.624 1.806 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1705730596 LZZDETRDHRRJSU-QZTJIDSGSA-N 440.614 1.546 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705762424 YFZMKWVABWUCAS-BZSNNMDCSA-N 425.961 1.913 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1705893514 LHDDQRJUMVEIFH-LQBOVUBWSA-N 432.569 1.105 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)(=O)CC1 1705906451 FTOYAKPFVPXGDF-UHFFFAOYSA-N 433.534 1.011 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccsc2)CC1 1705907276 GNMBQHIZIWRMDJ-UHFFFAOYSA-N 443.577 1.086 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCO[C@H]2C)C1 1705916051 IFQBPSAEWIUECJ-KKXYHZGYSA-N 436.553 1.640 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706431001 PVSRCHJFAVSVKS-HFJCDAHVSA-N 444.536 1.387 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CSCCS2)CCOC1 1706678134 CLZKCSKWIQYCDA-FRQCXROJSA-N 439.607 1.896 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1710899002 UZDYJEXKDYNPJC-UHFFFAOYSA-N 430.534 1.373 30 10 IDEE Cn1cnnc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1711269051 ACAMCOMWLDSQIM-LBPRGKRZSA-N 447.272 1.752 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCC[C@@H]1C 1712561216 HVNYDLXUULYLTD-ODULNIPZSA-N 432.569 1.730 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCN(CC)CC1 1722300212 XAZOTSGQTKQETN-SFHVURJKSA-N 443.621 1.755 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722315802 SJVALYDOHCYJFP-QGZVFWFLSA-N 438.492 1.663 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722335359 UFAFYQZMNJKZPJ-GOSISDBHSA-N 430.578 1.785 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1722364573 LWCRRJCMHGNLOI-HNNXBMFYSA-N 425.461 1.300 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2OCCC2(C)C)CC1 1722444678 MNCHQACZSVWOAT-IEBWSBKVSA-N 447.580 1.783 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CSCCS2)CC1 1722447688 LZFIZFUFWGHZOQ-HOTGVXAUSA-N 448.618 1.044 30 10 IDEE C=C(C)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722553208 ICZHULRAVHLRTR-HXUWFJFHSA-N 441.598 1.803 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722609741 ZTHZNDNMSRPXMD-HNAYVOBHSA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1722701695 AHDUJLNSOXVFNZ-SFHVURJKSA-N 437.504 1.136 30 10 IDEE CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1722858291 OIVKPERGMDSBCD-UHFFFAOYSA-N 429.550 1.926 30 10 IDEE COC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1729789869 NSMDXOCBMGNHAP-DCOQFNDQSA-N 431.497 1.205 30 10 IDEE CS[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1731038211 HKRLJAOUVCMTRH-BBRMVZONSA-N 443.581 1.221 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1 1740558396 SKRASACGAMWOJS-AWEZNQCLSA-N 430.534 1.010 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740620752 XQFPKBNAYYIQSW-HXUWFJFHSA-N 438.557 1.916 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1740655402 AVOGQTHWVWRQCC-GJZGRUSLSA-N 432.468 1.611 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(CC)nn(C)c2CC)CC1 1740698913 PSJQEFXKNCBIHY-UHFFFAOYSA-N 449.607 1.802 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)C2CCCC2)CC1 1740703788 AHVFVEMPNBAHJB-UHFFFAOYSA-N 438.580 1.519 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740730319 WDRJALMPOYKSMJ-PMAPCBKXSA-N 441.580 1.164 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740959432 VLCQWKGABZFPTH-INIZCTEOSA-N 432.550 1.354 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cs1 1742590676 ASFHOWWLVJCCFR-MOPGFXCFSA-N 445.593 1.719 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)cc1OC 1745809675 FXBCZRLJRPJMAT-ROUUACIJSA-N 443.504 1.887 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1748663866 ARIDOZCDOHZMOA-JGVYIQDASA-N 426.546 1.901 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748804195 FBNPAGNFPQOFIT-HZPDHXFCSA-N 439.582 1.941 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCCCCC2)CC1 1749001617 YAGOPIHEJAACFT-UHFFFAOYSA-N 444.580 1.467 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NC(C)C)CC1 1749009189 GDKKXXCYTLNVSP-GOSISDBHSA-N 430.553 1.053 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749207943 VWQCNYUVBISLJO-KKSFZXQISA-N 444.540 1.427 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749452008 KVHXQVBEWGEGLF-UHFFFAOYSA-N 441.580 1.621 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)C(C)C 1749557997 QEGZOTLWRFSYBP-QZTJIDSGSA-N 429.569 1.254 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)CC1=O 1749873524 ICRZHJOXECYYFR-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2[C@@H]2C[C@H]2CF)C1 1750209618 IGOFYFMISYRGRY-ARFHVFGLSA-N 426.518 1.272 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(F)(F)CC1 1750418112 IGFJNEIRAMZVAY-ZCXUNETKSA-N 449.462 1.162 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1750947959 BOYMPWKWLIGBHO-FQEVSTJZSA-N 448.524 1.722 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1750991992 DSMIKBBVWCAJNU-UHFFFAOYSA-N 447.499 1.897 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1752482264 JIUIRBYDNWFMLY-CABCVRRESA-N 446.533 1.188 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCCNC(C)=O)c1 1760127819 NBLCDZFOGOJUCN-UHFFFAOYSA-N 445.527 1.846 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1760175513 LGWQGZPNPKEEPF-FOIQADDNSA-N 437.566 1.524 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1760520681 WPQVOXDFVZSEDB-UHFFFAOYSA-N 447.499 1.318 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(CCN(C)C)CC2)C1 1760542060 JKSOLNIQVOYIBI-SFTDATJTSA-N 432.613 1.837 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1OC 1760546988 AOZNFQGZMZOSTE-UHFFFAOYSA-N 447.561 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760556881 SPBKVTSPRDVIJM-LAUBAEHRSA-N 447.561 1.249 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1760690667 FCBGWOWNNIRYMO-CYBMUJFWSA-N 434.522 1.426 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H](C)O1 1763179844 YABDSNZZQYPBBP-HOTGVXAUSA-N 445.545 1.920 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1764764811 FGJOLHKRYRKFEB-QGZVFWFLSA-N 430.534 1.355 30 10 IDEE CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1766286679 FINOQRVDVBUNLP-QAPCUYQASA-N 448.549 1.454 30 10 IDEE C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1771488658 DKLXWAHCOWRPCJ-BYONDENESA-N 430.509 1.253 30 10 IDEE N#Cc1ccc([C@H](CC(=O)NC[C@@H]2CN3CCN2CC3)N2Cc3ccccc3C2=O)cc1 1853061205 JPCXUUBIILRZDS-GGAORHGYSA-N 429.524 1.761 30 10 IDEE COc1cc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)ccc1I 1853075166 BEHCHTKNARJYHR-UHFFFAOYSA-N 449.252 1.924 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCC2OCCO2)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1853500415 PCTNHNSHLAFBMS-INIZCTEOSA-N 449.529 1.771 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1COCCO1 1854554073 HCBVXCWFTHZLIP-APWZRJJASA-N 434.514 1.637 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@H]2c2ccc(OC)cc2)C(=O)C1 1855296052 OXYRDRQVKIKGAL-SFTDATJTSA-N 429.542 1.700 30 10 IDEE CN(C[C@H]1CC(=O)N(C(=O)c2cc(Cl)ccn2)C1)C1CN(c2nccnc2C#N)C1 1856278797 VFISPJWDUQWFME-CYBMUJFWSA-N 425.880 1.206 30 10 IDEE CCCn1cc(C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)ccc1=O 1860887579 AGYXTWWSRVBWHX-UHFFFAOYSA-N 447.455 1.844 30 10 IDEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc(OC)c(O)c(OC)c2)c1 1862708151 NABXACSZQMNSFS-SFHVURJKSA-N 429.425 1.989 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 1869930302 XBCKZNCICUUTSF-GOSISDBHSA-N 430.505 1.992 30 10 IDEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870682157 PPNQAIQJEAXOOT-UHFFFAOYSA-N 426.521 1.052 30 10 IDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(O)cc2O)o1 1874433177 LXRBTNZODCTHQB-ODCIPOBUSA-N 445.457 1.880 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CN(c3cnccn3)C2)[C@@H]1c1ccc(C#N)cc1 1889549231 ZUOVDTUPPAPGIX-SFTDATJTSA-N 436.541 1.747 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 2006239012 PINVORKDVREBLX-YPFXGUDJSA-N 427.317 1.413 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@@H]21 2141670106 KSNPVZILDVMOQZ-YESZJQIVSA-N 445.325 1.954 30 10 IDEE CC1(C)OB(c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Br)c2)OC1(C)C 2172774495 OYFNFHPWYXSIQJ-UHFFFAOYSA-N 446.176 1.225 30 10 IDEE CCCn1nnc(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2194930919 SLPZFIVHSJMNJT-QWHCGFSZSA-N 442.362 1.895 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247906818 QRQNRISOEXFJIN-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248420015 LUJCXVOSHXHFBM-LLVKDONJSA-N 436.343 1.455 30 10 IDEE CC(C)(C)OC(=O)NO[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2248433826 QZDPKUVGVUIYHE-NSHDSACASA-N 440.331 1.433 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248437965 RZOOGYHLWPHZJT-NWDGAFQWSA-N 438.359 1.701 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2248481777 QAGOSSWUOPDHBV-NEPJUHHUSA-N 436.236 1.554 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255624158 CNICEUFAWBRZPV-OKILXGFUSA-N 434.346 1.752 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(COCc2ccccc2)C1 2255693869 JLEHULGJEHWJCC-UHFFFAOYSA-N 426.326 1.840 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 2255817857 BYFBGZBTWVHXNJ-CQSZACIVSA-N 434.346 1.849 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2255823693 XSGJKFCLNODWDE-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255878817 FVEHOXBWIVNMMM-OAHLLOKOSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N1CC(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(N)=O)C1 2256892764 BDCPDOKDLWXXHQ-UHFFFAOYSA-N 436.293 1.407 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001589 MZFAVLUJCHKQRS-CABCVRRESA-N 446.357 1.862 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267285539 JVFZPRZSIKNYTN-SVGFKBNWSA-N 447.341 1.724 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@H]3C3OCCO3)s2)OC1(C)C 2267377749 HFEVDGCBVNQYLL-ZDUSSCGKSA-N 429.369 1.963 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1cnn(Cc2ccccc2)c1 2267496243 WPQUMJWXVYVDDL-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE Cc1c(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267513857 RTIFISYYQAKHNG-UHFFFAOYSA-N 440.353 1.758 30 10 IDEE CO[C@](C)(CO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282313718 OSLOVLCHYHUDKW-HNNXBMFYSA-N 425.765 1.376 30 10 IDEE COc1cccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 2328074108 REUGIICBCMNVOH-UTKZUKDTSA-N 447.491 1.811 30 10 IDEE COc1ccccc1CNC(=O)CSc1nnc(N/N=C/c2cccc(O)c2)n1N 20914630 CCCUDBHEBCUJRH-LSHDLFTRSA-N 427.490 1.561 30 10 IDEE COC(=O)CSc1nnc(N)n1[C@H](C)C(=O)Nc1c(C#N)cnn1-c1ccccc1 40173574 JAFHPXXWANWMKU-LLVKDONJSA-N 426.462 1.382 30 10 IDEE Cc1ccn(N2CCc3ccccc32)c(=O)c1C#Cc1cnc(N2CC[C@H](C(N)=O)C2)nc1 89209880 OGALCTYUEBVKPX-FQEVSTJZSA-N 440.507 1.484 30 10 IDEE COc1nc(NN=Cc2ccc(Br)c([N+](=O)[O-])c2)nc(N2CCOCC2)n1 252609025 HPHPVFYHFDFDOR-UHFFFAOYSA-N 438.242 1.834 30 10 IDEE COC(=O)[C@H](CC(C)C)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 429113995 GABNFMIIVZKDHV-KRWDZBQOSA-N 443.504 1.974 30 10 IDEE C=C(C)CS(=O)(=O)NCc1ccccc1N1CCN(S(=O)(=O)CC(=C)C)CC1 435442759 KDZYCMFADDCRNW-UHFFFAOYSA-N 427.592 1.710 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)CC1 474507652 XKHODFLVKHLGAT-PMACEKPBSA-N 427.593 1.772 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 483516525 BHNCCJBWJIIFPN-OXJNMPFZSA-N 442.541 1.913 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3CN3CCOCC3)C2=O)cc1 508642622 XLNAFSLLQJADNX-SFTDATJTSA-N 425.533 1.950 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1C#N 514428970 VTAXTEOFJONKSM-RDTXWAMCSA-N 426.525 1.494 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)cc1 533297169 IBCXPHNSYIXGLR-INIZCTEOSA-N 445.545 1.536 30 10 IDEE C[C@H](C(=O)Nc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1)n1cnc(C#N)n1 538593065 UHUZZTYAYWLXRV-LLVKDONJSA-N 431.503 1.723 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCOCC 540698471 UAAKQDHLMHZLKH-UHFFFAOYSA-N 444.557 1.078 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546172886 TVUWYDYUWWXNLQ-UHFFFAOYSA-N 427.530 1.992 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 549272337 CXZFXZRITWJKAL-CQSZACIVSA-N 433.600 1.258 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCOC3)CC2)c(F)c1 550053132 GNDQLNHZWXNCNB-YLJYHZDGSA-N 442.495 1.740 30 10 IDEE COc1ccc(OC)c(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 550351305 FGWURUWCZFDEBN-HXUWFJFHSA-N 436.512 1.599 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 555255539 IERUKWDZTVHCJM-INIZCTEOSA-N 426.525 1.488 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCCO2)CC1 572345536 SPEWRDWWBRMVDR-MOPGFXCFSA-N 439.520 1.528 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669806373 IYOWLABIPAUYSL-AEFFLSMTSA-N 438.536 1.100 30 10 IDEE CN(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1I 694984817 JXYVFMKXYQOALL-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)cc1 730251965 KQKRAJDNPDJKAX-HSZRJFAPSA-N 434.500 1.595 30 10 IDEE C#CCOc1ccc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 741687746 HOWQFARXFXMRMK-UHFFFAOYSA-N 429.278 1.353 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 751624348 VDDZDIOUEBZLBW-MRXNPFEDSA-N 433.511 1.945 30 10 IDEE N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 760360646 BJKKXTAQYHEIGK-LBPRGKRZSA-N 433.417 1.966 30 10 IDEE C#CCN(C(=O)c1cc(F)c(F)cc1I)[C@H]1CCS(=O)(=O)C1 760430204 VTPXTODVEOPBFJ-VIFPVBQESA-N 439.221 1.832 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 767967386 DBTCMPDZGUBTIY-NRFANRHFSA-N 440.544 1.319 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nsc(N(C)C)n1 771310020 ANNGEGRFYAAYLR-CYBMUJFWSA-N 437.547 1.945 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2ncn(C)n2)c1 780311061 DHRCOFBVGQDJPR-RDJZCZTQSA-N 443.577 1.884 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 782049601 VZVKXUMCESTDOK-QBNCKDSPSA-N 432.502 1.336 30 10 IDEE Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 786538694 BFNMUUYLYFFTGD-IFMALSPDSA-N 444.491 1.796 30 10 IDEE C[C@]1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCN(C(=O)OCc2ccccc2)C1 794221078 DRXOALNGOWNERS-SQJPUDIVSA-N 426.473 1.820 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCSC2)cn1 794451401 VLVQJUTUBOJBPY-GJZGRUSLSA-N 437.591 1.595 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCOCC)c2=O)cn1 794611596 BXUMAUNACVYPJA-QGZVFWFLSA-N 444.557 1.052 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 798079799 FACSZGAKPDJTAF-VYDXJSESSA-N 435.546 1.988 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 809929660 YEZKSNTYWUFNLI-GJZGRUSLSA-N 443.570 1.642 30 10 IDEE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=NNC(N)=S)c3ccccc32)cc1 1080436688 UYSUMSKQEWJNMK-UHFFFAOYSA-N 425.470 1.386 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1129702828 MVQWZANFMWKUJN-UHFFFAOYSA-N 448.277 1.400 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1134256431 SIOCAPFLLPWFDE-UHFFFAOYSA-N 432.527 1.934 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c1 1136226628 GXUCRXROAICFLH-UHFFFAOYSA-N 431.558 1.110 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cnn(CC)c2)c1 1286310246 RSDYWXLRRGGFGD-UHFFFAOYSA-N 443.515 2.000 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286389468 KLUDECYMHNGHOO-RDJZCZTQSA-N 432.550 1.423 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1286394224 OBEYKIRRWCUIRT-HOTGVXAUSA-N 449.508 1.022 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286491314 MVPJBTVOHNMXBO-SFHVURJKSA-N 444.486 1.654 30 10 IDEE C#CCSCCn1c(N2CCN(c3ccc4nncn4n3)CC2)nnc1C(C)(C)C 1286512053 HYBDBASEWQLNBO-UHFFFAOYSA-N 425.566 1.706 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1286548089 LUCXPDKETRORKA-PKOBYXMFSA-N 430.553 1.587 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1 1286561094 BKCZKKKQYPWXIG-XDNAFOTISA-N 440.566 1.218 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286610717 AAKFMBYHSIGXJI-RBUKOAKNSA-N 433.553 1.940 30 10 IDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286631199 CPAPONOOQZPJKL-INIZCTEOSA-N 431.990 1.860 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](F)COC)C1 1286807473 CBHLRFOMFKZSAW-JKSUJKDBSA-N 442.495 1.958 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C 1286825219 OCVKPZVZQDUPMS-QGZVFWFLSA-N 437.610 1.919 30 10 IDEE Cc1n[nH]cc1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1289165588 HVSGUWZVRGTDLL-PXNSSMCTSA-N 431.566 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1300306924 AHLLRRFQONOIKP-JTSKRJEESA-N 425.537 1.716 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1300465405 MECSCHKSHRESOT-IBGZPJMESA-N 442.545 1.404 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCC 1300465820 QSILQZWDRJEGHS-LJQANCHMSA-N 447.561 1.265 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300494994 AYKOEWYQAIVERY-WOJBJXKFSA-N 428.558 1.960 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOc2ccccc2)CC1 1300682695 JAEGLJOMJGTEEX-GOSISDBHSA-N 446.577 1.113 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1300848649 HFEGRMIKPZMBBY-CYBMUJFWSA-N 436.376 1.612 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)OC(C)(C)C)CC1 1301067135 XALDVSRNUKMNEU-CQSZACIVSA-N 428.559 1.569 30 10 IDEE CC(C)CNC1(CO)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1301532134 JCTBCDKAZGHBEF-IBGZPJMESA-N 441.532 1.362 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCS2(=O)=O)C1 1301567163 VAYOWFFEXCTVMD-MOPGFXCFSA-N 448.593 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301577107 FBSKRVRTMJEKRE-WMLDXEAASA-N 433.509 1.400 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(NC(C)C)CC1 1301587467 PCHYXGQPWWAPKR-UHFFFAOYSA-N 432.594 1.832 30 10 IDEE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1301768189 TVZCOTDBXQGEEX-JXFKEZNVSA-N 425.537 1.903 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1302164980 DGFNGEMOKFBISD-SBUREZEXSA-N 441.532 1.988 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1315982265 SWRWKELUFSOPDW-GTCCEBARSA-N 429.521 1.723 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCO2)c1 1358901972 BTBIOHFTSVAINR-OALUTQOASA-N 436.516 1.855 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1358977610 QSLPNTUCZVFDHH-DQBMGFJSSA-N 441.576 1.862 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359089938 RZDIWXLTXSFNGL-IMBTUZDBSA-N 430.553 1.455 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1359133497 SXFQCHCMFVHJKK-PXNSSMCTSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359295720 LSRNYRKBGYEJJP-AWEZNQCLSA-N 447.902 1.596 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359296450 JSTDJVVGRPMVKJ-QGZVFWFLSA-N 439.520 1.296 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1359357866 OPNMWPJSKLLXPI-JPYJTQIMSA-N 435.532 1.600 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H]1COCCO1 1359717916 LSXFXOVJUIFVGL-SJORKVTESA-N 426.525 1.584 30 10 IDEE C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NCCc1ccccc1 1436612479 LVDCDMWMYOAMKZ-UZLBHIALSA-N 447.495 1.627 30 10 IDEE C#CCOCCN(C)C(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1457392854 DPQYRCHQOCVSLD-OAQYLSRUSA-N 426.510 1.442 30 10 IDEE Cc1cn2cc(CC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2s1 1464037489 RZACNGSMYFNVBJ-UHFFFAOYSA-N 429.527 1.652 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CC1 1470142398 RJIYLTNYTXYSGO-KRWDZBQOSA-N 439.520 1.470 30 10 IDEE Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472036654 YABYGEUGSIQLRU-XPIZARPCSA-N 433.530 1.958 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@@H](C(=O)OC)[C@H](c3ccc(Br)cc3)C2)CC1 1473570602 CXVDYPYQEYTDMO-RBUKOAKNSA-N 448.361 1.415 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1501004840 KEILWGNJWJUTKZ-KNKQGSTJSA-N 432.569 1.923 30 10 IDEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1504459846 IDRYHVBFTAYKIL-INIZCTEOSA-N 433.472 1.492 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OC(F)F)c1 1505002156 WQRDXQVNMLNRQN-HIFRSBDPSA-N 438.435 1.776 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1505135022 HIIYMZCTTMXQCC-HNNXBMFYSA-N 448.524 1.164 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCSCC1 1507710548 HWKCLDMAZLZRDI-FQEVSTJZSA-N 443.573 1.925 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@]2(C)CCCO2)n1 1507717227 RWNKCKKVUMOCCA-JOCHJYFZSA-N 436.520 1.787 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncc(F)cn2)CC1 1508078361 YDRNZHHULFCKGK-UHFFFAOYSA-N 426.456 1.404 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508125148 HQNZRCKPQFLIEP-UGNPLGLKSA-N 449.515 1.572 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508148227 GYJYZYVHTIVGPF-INIZCTEOSA-N 441.598 1.547 30 10 IDEE C=CCSCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508169195 YNSKTWMNJXEKRB-GOSISDBHSA-N 430.596 1.473 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1508410304 DYHCPUKVYFMOAP-JXFKEZNVSA-N 439.582 1.882 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(N(C)C)cc1 1510178899 VWNWKCORBWPIBY-INIZCTEOSA-N 445.593 1.937 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1517631886 FBNGDZCAUQODCZ-HBUWYVDXSA-N 428.534 1.188 30 10 IDEE COCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518678393 XQJCELVDFPKVSJ-UHFFFAOYSA-N 427.509 1.624 30 10 IDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1519170621 GIFBERYLTSGMAZ-QGZVFWFLSA-N 433.534 1.351 30 10 IDEE N#Cc1ccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1521083464 WOBFVALOOMINSK-CABCVRRESA-N 447.421 1.210 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cnnn1-c1ccccc1Br 1523993020 XFQRDWLIIYUIJK-UHFFFAOYSA-N 443.265 1.713 30 10 IDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1537003735 KRKXLMGXRXGNHJ-AOMKIAJQSA-N 431.489 1.785 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1538970134 ADNJWXQXLITWGB-NEPJUHHUSA-N 425.584 1.544 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1539219843 FYFBQYFBXDCRMO-IRXDYDNUSA-N 449.602 1.920 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539752026 ZLHSZAVMTKXQJF-HXUWFJFHSA-N 446.596 1.509 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1540004493 ACKMCAHVBXWHAE-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1540583996 PTGOAYNDSYWEPW-UHFFFAOYSA-N 437.518 1.932 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1540991288 KTNIGLGDNSQTEF-CVTQAYBASA-N 443.552 1.450 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1 1541118516 BVIAXYHOOZJBOY-HNNXBMFYSA-N 445.549 1.114 30 10 IDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)[C@@H](C)C1=O 1541565937 ICGARUISSDDIHX-KRWDZBQOSA-N 438.532 1.947 30 10 IDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1545120836 CLDJCFMNEZRPEH-SFHVURJKSA-N 426.521 1.676 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1545122987 FTHZWXIFMJAQGS-QFBILLFUSA-N 444.561 1.161 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)C2CC2)c2ccccc2c1=O 1547737051 AXAXTDQHLZKIFA-HNNXBMFYSA-N 448.531 1.797 30 10 IDEE CN(C)CCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1552865987 BNKOKJCPFASRLM-HXUWFJFHSA-N 448.531 1.843 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 1555992656 YJZKRXUENQCKIT-MRXNPFEDSA-N 440.595 1.248 30 10 IDEE CCOC(=O)Cc1cnc(N(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 1557004945 AISUTDRGQZGBGB-LBPRGKRZSA-N 436.515 1.450 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC(N[C@H]2CCOC2)C1 1558550543 JETASUNYPCVFGC-FXAWDEMLSA-N 426.517 1.982 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 1565574701 OOUCLMIDJQCFRU-HNNXBMFYSA-N 434.539 1.883 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1584781458 HQKDPXLVOFXXBH-SFHVURJKSA-N 427.505 1.682 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1588064197 CSMVKHZANLLCSP-GOSISDBHSA-N 442.545 1.259 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1588083254 CWSBJYKUSUGTMA-YESZJQIVSA-N 441.557 1.894 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1588605124 ZHHUUNAIJMBNEK-LJQANCHMSA-N 442.545 1.327 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)F)n1 1588724428 ZTHGPAWPFPJGAQ-AWEZNQCLSA-N 425.415 1.274 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC)c2)CC1 1588743314 ZJFQVUXFCNHBFX-KRWDZBQOSA-N 446.577 1.091 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C 1589070584 VCKFKLKJRSUGSF-JYJNAYRXSA-N 427.596 1.212 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1589216708 VTVBHMKOKMIXMP-WIYYLYMNSA-N 449.621 1.408 30 10 IDEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)C 1589460818 WHCHGPQLJWIYSG-GFCCVEGCSA-N 425.331 1.957 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCOC2)CC1 1594097155 MULLLDQCBYLIHC-SJORKVTESA-N 425.555 1.194 30 10 IDEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1595038318 SWRZJYSXTZQTCV-NRFANRHFSA-N 448.545 1.667 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCNS(C)(=O)=O 1595156461 MQPYSPISWYQGKT-HNNXBMFYSA-N 425.580 1.975 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595517511 ZUQQOEUFEFNLTO-FPOVZHCZSA-N 449.559 1.666 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCC)CC1 1595562143 OVBCIGAQJKYXPL-UHFFFAOYSA-N 425.537 1.309 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)[C@H]1C 1595577035 HAPXXBVQXVQGBC-KGLIPLIRSA-N 434.591 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1595798433 PIYUWNUFQPGIAD-PMPSAXMXSA-N 448.611 1.378 30 10 IDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1597053432 MCVRPDBAKSDEKU-SFHVURJKSA-N 434.514 1.125 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1610337870 UPIHJINKHSYGSF-QIEZACGCSA-N 444.536 1.834 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CC2(CCOCC2)C1 1611677103 IXEIXBVCTYMYIA-OAHLLOKOSA-N 436.582 1.835 30 10 IDEE CCc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cs1 1613866938 BYBPTKQTLTZGGA-STQMWFEESA-N 425.584 1.888 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1616265693 NEGMPPPCVKZFRG-QHCPKHFHSA-N 447.580 1.291 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1617398410 IFXKCXZMVHGTBK-NRFANRHFSA-N 446.577 1.947 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1618350071 FLUQVTWEXKXEPT-NDEPHWFRSA-N 435.575 1.599 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)cc1OC 1619211115 SKAGHQPJKOYMFV-MRXNPFEDSA-N 433.534 1.807 30 10 IDEE COc1ccccc1OC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1619439317 BFMLGQRKCMCEHA-DLBZAZTESA-N 442.520 1.869 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCOCCCO)CCO1 1620354897 MJWSJWCHIVBFKT-GFCCVEGCSA-N 442.339 1.897 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1626188460 ZMVGTXKXALWWEJ-GDBMZVCRSA-N 444.513 1.271 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc[nH]n1 1627036853 GHQJOYXLNOUNDE-GOSISDBHSA-N 427.505 1.722 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@H]2C1 1628746215 YTTLCFDPQTXIJN-FVQHAEBGSA-N 434.518 1.474 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1632565701 OIQSYKDPUKYVBS-UHFFFAOYSA-N 439.497 1.668 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)CC1 1632624196 ORQKLVSMWNKMAT-UHFFFAOYSA-N 435.550 1.065 30 10 IDEE Cn1cc(N2C[C@H](C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)CC2=O)cn1 1634568572 ARMHSUSMHAUBMU-VQIMIIECSA-N 426.908 1.835 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1635607950 ZKPCPLTUAAFJGG-CVEARBPZSA-N 432.864 1.954 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c(Br)nc2n1CCCC2 1636270205 AEEMGEKOEHPLPL-LBPRGKRZSA-N 430.310 1.994 30 10 IDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 1638463311 LGIYOQMRBIOHOE-QGZVFWFLSA-N 440.930 1.513 30 10 IDEE C[C@@H](CC(=O)N1CCc2c(sc(N)c2C#N)C1)NS(=O)(=O)c1cccnc1Cl 1639989072 HVNRJBNOXBNHOH-JTQLQIEISA-N 439.950 1.892 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cc4c3OCCO4)C2)c(=O)nc1O 1640637425 ZAOULVQDHATUTD-UHFFFAOYSA-N 433.218 1.051 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(CN3CCNC3=O)CC2)CC1 1648462746 DBNOKRXTQMILPM-NRFANRHFSA-N 442.539 1.272 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1649538318 BMISSYWRAVGILA-HXOBKFHXSA-N 441.532 1.914 30 10 IDEE C#CCC1(O)CCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 1650951925 VUOWROUYVNATLY-UHFFFAOYSA-N 437.241 1.257 30 10 IDEE N#Cc1cc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ncc1Br 1651392969 WBPFFTHCBBPPDG-UHFFFAOYSA-N 432.303 1.987 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(C)c2I)c1 1652514593 PWUQLOUWTWMFJT-UHFFFAOYSA-N 444.254 1.189 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC([C@H]4COC(=O)N4)CC3)C2=O)cc1 1653002904 RTOQCFKMQOWXLW-DLBZAZTESA-N 425.445 1.110 30 10 IDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CC2)c1C#N 1654988682 CAPKQDBZEQVTKB-UHFFFAOYSA-N 425.417 1.433 30 10 IDEE N#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1659395201 RCCKWQUNAQVFJK-MRXNPFEDSA-N 435.506 1.053 30 10 IDEE C=CCOc1ccccc1CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1678917260 YUKRQOCURXVJFT-BQIYRTECSA-N 436.530 1.950 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)CC1 1680822722 ZDEOJYBBOOSDQG-HXUWFJFHSA-N 427.530 1.274 30 10 IDEE C#CCCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1689906123 IQVQJKGQFISGEO-JOCHJYFZSA-N 425.537 1.850 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](C(F)F)N1CCOCC1 1690025609 XRGLQNPBUDUABC-IBGZPJMESA-N 445.518 1.569 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1690045772 QCIOWAONRVTMGG-OAQYLSRUSA-N 446.555 1.885 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1690132040 FENUHCXTKFWNSR-HXUWFJFHSA-N 449.559 1.205 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCCC2)CC1 1690146196 HYSNFIAQOGDQAZ-HXUWFJFHSA-N 428.581 1.624 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1690675132 PUKIWDRFCGZELE-UHFFFAOYSA-N 438.532 1.582 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1691008189 FOCFUAPPKLIVAX-NVXWUHKLSA-N 441.511 1.480 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1691515047 BATFQRYLFJZRQF-LJQANCHMSA-N 434.504 1.632 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1692591735 DYLDBNWEDRHKKA-AVRDEDQJSA-N 448.568 1.158 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@H](NC(=O)CC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696066735 HNTHYZSFNWOASS-ZHRRBRCNSA-N 442.520 1.938 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705532873 RTXXCCMWZURDLC-RTBURBONSA-N 445.593 1.719 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@@H]1CCOC1 1705546091 AAXLLJHMYXJSKD-QGZVFWFLSA-N 446.577 1.812 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1705567618 XQUBLKHMDXWLIT-CVEARBPZSA-N 448.549 1.335 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1705604085 FBVQABPRHHAQHR-CQSZACIVSA-N 428.522 1.181 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2OCCC2(C)C)CC1 1705635237 UPADXPFIWOMHDY-XXBNENTESA-N 431.581 1.889 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1705637591 DDBZDMGOZKKRTR-SFHVURJKSA-N 433.507 1.384 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705647459 FMFNXFYVTBCQTE-XUVXKRRUSA-N 427.549 1.729 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705662552 CIKXNWGARXWBDZ-QGZVFWFLSA-N 434.587 1.867 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCn1cccn1 1705895819 TTXKFPHYZUBXDE-UHFFFAOYSA-N 447.341 1.681 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705908650 SVPVCWKWYAOZQO-QZTJIDSGSA-N 441.488 1.836 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706129786 UVWQKTVQFNLVIP-PQORCFSTSA-N 429.525 1.095 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC(O)CC1 1706302303 SNPUEOIWCFGKNE-UHFFFAOYSA-N 425.537 1.783 30 10 IDEE CC(C)CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1706492609 XPWCTULSBUMYQW-LZICOFPGSA-N 429.525 1.626 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@](C)(O)c2ccccc2)CCOC1 1710482622 HXCSQKBUIXMQRF-AJSBUHFISA-N 441.532 1.957 30 10 IDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1710721538 FQMNQXDRQKSCJD-QHCPKHFHSA-N 437.548 1.881 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CC)c1 1722309148 JWAFXDUMEUREMG-VQTJNVASSA-N 449.559 1.770 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)OC(C)(C)C 1722427212 LCWKJRIQMBTWKS-UHFFFAOYSA-N 431.541 1.750 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1722429551 NIYBYOOGRJTCRY-FQEVSTJZSA-N 429.613 1.540 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722491304 JWEQSMPIMAWJDI-MDZRGWNJSA-N 439.520 1.574 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722527520 LWXAVMARYPBKPP-UHFFFAOYSA-N 444.580 1.946 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1722529142 PLLUDXSYVDJQAT-STQMWFEESA-N 441.476 1.249 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccc(O)cc2)CC1 1722692371 KBFPKSZPZMZJPY-UHFFFAOYSA-N 438.532 1.906 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722696235 GCLGFTUZBWYRMT-KRWDZBQOSA-N 439.476 1.525 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](OC)C1 1722699073 RADUJPULIIMMPQ-SFHVURJKSA-N 440.552 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722729296 IKBFWYVRXAJYNR-QZTJIDSGSA-N 446.529 1.892 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)c1ccccc1 1722868615 CMTULUCMVCBJEM-KRWDZBQOSA-N 444.561 1.860 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[S@@](=O)C(C)(C)C 1729033780 MJCTULGRXXNXSV-SSEXGKCCSA-N 432.550 1.897 30 10 IDEE COc1cc(C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1729960873 CPMAIQUSWMZYTN-SJORKVTESA-N 431.518 1.274 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1730202512 UWFMSJMQAWESTD-OTWHNJEPSA-N 429.477 1.134 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1730928263 CUBVFFQILBVSTP-QFIPXVFZSA-N 440.504 1.108 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CC1 1731185973 HZWMEMAZXPXDPF-UHFFFAOYSA-N 426.496 1.997 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740638337 GTWNQEHZZDWSFU-FGTMMUONSA-N 440.548 1.948 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)CCN1CCOC(C)(C)C1 1740956671 XMHUAVHMMWOIOF-UHFFFAOYSA-N 442.564 1.803 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740961748 YJNKVHULXYFYGB-SFHVURJKSA-N 428.512 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC(C)C)CC1 1740984989 AGRHVRKNDONBNF-UHFFFAOYSA-N 439.582 1.509 30 10 IDEE C=CCSCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1741004410 AAGDPBVHVWNHPS-MAUKXSAKSA-N 430.596 1.473 30 10 IDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1741982749 XTYWOZFUXXZPKO-IAGOWNOFSA-N 432.500 1.864 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1748646741 CZBRVRSMJNFQTL-JBYIUTFZSA-N 427.553 1.791 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748816346 ZHWNLVBCPCFBGA-QZTJIDSGSA-N 427.530 1.968 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1748892556 RAHJEDWFRAJPGA-RBUKOAKNSA-N 447.605 1.900 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1749066601 LJRAATMSAPJREO-VQIMIIECSA-N 435.575 1.713 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1749132181 ZMYITNBWYSNQQN-KSZLIROESA-N 439.582 1.235 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1749729172 CRRCCVMMJBIXAQ-FQEVSTJZSA-N 436.509 1.681 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1751313959 XANCHRBVYMQYML-UHFFFAOYSA-N 434.504 1.901 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760179203 OONKRBCAYFBKPK-MRXNPFEDSA-N 447.586 1.559 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760279780 FPAXFXBJEMRWAH-MSOLQXFVSA-N 443.577 1.314 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760524773 JAKHDYWRSDSNOB-AWEZNQCLSA-N 439.969 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(C2CCCC2)CC1 1760558088 GANYVVSAXJVQRV-UHFFFAOYSA-N 425.599 1.870 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1760690999 HYYRECPOWQUBND-OAHLLOKOSA-N 437.504 1.329 30 10 IDEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1763385946 GCUGLXMPHPTWLD-UTKZUKDTSA-N 445.545 1.657 30 10 IDEE CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)C1CCC1 1764789108 SMPOSNCVDDESTD-RKJYKYFPSA-N 441.536 1.771 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1769251312 CXZXHEFBXKRTFJ-RBUKOAKNSA-N 426.521 1.642 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1772566366 GCMGPOIVPYJNKG-ZACQAIPSSA-N 445.568 1.053 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)ccc21 1849544208 WAANUJSRYVCBFO-UHFFFAOYSA-N 444.557 1.758 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC#CCN2CCCCCC2)CC1 1851104840 COQCLUMORIJRCG-UHFFFAOYSA-N 436.578 1.688 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 1853316978 TZBLWXICMAPENL-RBBKRZOGSA-N 436.464 1.963 30 10 IDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)c1C 1853753667 AKRVNDUZPRRFKK-UHFFFAOYSA-N 426.498 1.860 30 10 IDEE C=CCC[C@H](C)C(=O)N1CC[C@H](N2CCCN(C3CCS(=O)(=O)CC3)CC2)C1=O 1854208109 AHWLTDBIYJPBNW-HKUYNNGSSA-N 425.595 1.301 30 10 IDEE CCOC(F)(F)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856849658 YXUDJGQXKAJRAF-HNNXBMFYSA-N 427.429 1.798 30 10 IDEE CC(C)OCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870350195 UQAAUHOMUALWEA-UHFFFAOYSA-N 443.544 1.901 30 10 IDEE O=S1(=O)CC[C@H](N/N=C/c2cc(Br)c(O)c(Br)c2O)C1 1873470784 QTKNONHUHHXKJF-ATKWMGEFSA-N 428.102 1.733 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)CC1 1891864201 SPMAXWHLUDTOGI-UHFFFAOYSA-N 436.497 1.951 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1895863822 BMUHMRRMOPTCFX-HRCADAONSA-N 425.526 1.637 30 10 IDEE C[C@@H](C#CC(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902014024 LYIFDWDALYNUBE-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE CN(C)CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2124538820 NYKWNEIHFFSQEM-UHFFFAOYSA-N 449.361 1.513 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2255647555 ADVPDCAPXCMPMW-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255661775 RFXQRBUXGWHIHR-LSDHHAIUSA-N 436.314 1.679 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255698582 JMSJETXAPXJTHZ-INIZCTEOSA-N 425.342 1.461 30 10 IDEE C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2256068886 GSWUSLDUMDYHHO-CYBMUJFWSA-N 432.330 1.761 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2COC2)C1 2267092180 VCPZFCQYCDCLTB-UHFFFAOYSA-N 448.329 1.169 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188535 NTICHCLYEOVQRG-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2267460665 MIFGTHYMYQKPPT-SQWLQELKSA-N 446.357 1.705 30 10 IDEE COc1cccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN2CCOCC2)c1 2296615739 OALJAVUHIFCABT-HXUWFJFHSA-N 440.500 1.789 30 10 IDEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccco1 2297741722 QDUWJOOCJWSDCB-SFHVURJKSA-N 427.413 1.942 30 10 IDEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2303214121 HMBUPBSLNJVRJG-INIZCTEOSA-N 440.541 1.967 30 10 IDEE COc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 11163419 MXSUFWRDVSOYCK-MRXNPFEDSA-N 429.498 1.867 30 10 IDEE C=CCNC(=O)c1cccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 15415407 ODRXSBVPJSKGLQ-LJQANCHMSA-N 448.483 1.893 30 10 IDEE biogenic CC[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)N1C=N[C@H]2[C@@H]1C(=O)N(C)C(=O)N2C 19938148 XUBMNDCCGCIINO-FVQBIDKESA-N 428.518 1.778 30 10 IDEE CC(=O)Nc1ccc(/C=c2/s/c(=C(/C#N)C(N)=O)n(-c3cc(C)ccc3C)c2=O)cc1 33499263 VJLAVLDKSLTZAW-JBZNWQLNSA-N 432.505 1.463 30 10 IDEE Cn1c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nnc1C1CCC1 461483964 VAJVBRHBPSQWLB-UHFFFAOYSA-N 442.545 1.671 30 10 IDEE CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)C1 471214496 BGAYFDAUDSVGIT-UYAOXDASSA-N 447.605 1.053 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C 474330646 PUTLVBZJUMRWPR-QGZVFWFLSA-N 448.548 1.565 30 10 IDEE CC1(C)C[C@]1(C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 484905112 FDGRAZWAHJCFFS-HXUWFJFHSA-N 430.486 1.383 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 487477805 NSFUPZWODCEFMR-LSDHHAIUSA-N 439.497 1.140 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 506217173 SINYAWHUXYNQKR-JOCHJYFZSA-N 429.521 1.498 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(Oc4ccc(C#N)cc4)CC3)CC2)o1 507769865 KBXUUTUWIKQKRS-UHFFFAOYSA-N 434.500 1.918 30 10 IDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(Cc2nc(COC)no2)CC1 508946274 RSLVWKIQPRCOIZ-GOSISDBHSA-N 437.504 1.992 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)CC2)c1 512753847 MNYOSWZPSULKCX-UHFFFAOYSA-N 435.521 1.818 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 533692617 MKXMWLXBMZUKID-CQSZACIVSA-N 449.935 1.909 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)c(F)c1 561833008 LRVHWNXCOSJBFX-LJQANCHMSA-N 435.459 1.268 30 10 IDEE CN1C(=O)N[C@@]2(CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)C2)C1=O 572129985 GASSAWDFQNLNNQ-JOCHJYFZSA-N 432.440 1.969 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 603797132 CEOHDXCUHFZAFP-UHFFFAOYSA-N 449.507 1.708 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C#N)cc2F)o1 609228776 GNIDNGALRXTVNA-INIZCTEOSA-N 449.460 1.937 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669806374 IYOWLABIPAUYSL-FUHWJXTLSA-N 438.536 1.100 30 10 IDEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664038 KGUICBAKHRHVHQ-GUERIMHUSA-N 448.614 1.897 30 10 IDEE Cc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1NS(=O)(=O)C(F)(F)F 747222362 AAINPJMLKRMCGO-PEZBUJJGSA-N 446.407 1.513 30 10 IDEE C#CCNS(=O)(=O)c1ccc(-c2nc(-c3ccc(N4CCN(C)CC4)nc3)no2)cc1 761494700 OHHCQJKQPPELKE-UHFFFAOYSA-N 438.513 1.462 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1 766404133 FMCSFPDCLDRQNI-SFHVURJKSA-N 426.546 1.985 30 10 IDEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)c1ccc2c(c1)OCO2 787748167 XYYGCUHSGWCMOC-UVARLRKDSA-N 445.497 1.471 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)n1 788821068 PTCGMZDUXVJEPY-QFIPXVFZSA-N 441.463 1.098 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccsc1 790433181 FWHSDVDYWVRJEG-UHFFFAOYSA-N 433.518 1.390 30 10 IDEE COC(=O)[C@H](OC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C#N)cc1 795839844 MIUSLMMNKBORQK-VQIMIIECSA-N 438.358 1.947 30 10 IDEE C=CC[C@]1(C(=O)NS(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 802160374 WZXGLQNVDZJFMK-CKFHNAJUSA-N 432.539 1.976 30 10 IDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)c1cccc(OC)n1 811065037 VBDNRKSEJBMRTM-HSZRJFAPSA-N 435.436 1.981 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 814140563 VRXSYMNXAKRNRD-HOTGVXAUSA-N 432.477 1.779 30 10 IDEE COc1ccc(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)c(OC)c1 916178782 NGRDQZCBYQEZQQ-MRXNPFEDSA-N 443.481 1.575 30 10 IDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3ccc([N+](=O)[O-])cc3)n2N)n1 1084627976 OZAZZQDZUVGIKY-UHFFFAOYSA-N 433.479 1.842 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1116573338 GBQKNIFSIFQOTM-OXJNMPFZSA-N 438.546 1.954 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCCCc2ccccc21 1134660691 MCMLJNXLLVWRMV-UHFFFAOYSA-N 426.498 1.211 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCCNc1ncccc1C#N 1136423955 DOCQDMUWXSZVGL-FAAHXZRKSA-N 435.406 1.467 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](c2cccc(Br)c2)N2CCCC2)CC1 1140132690 MQGLZEJRXWNIFM-FQEVSTJZSA-N 447.377 1.480 30 10 IDEE C#CC[C@]1(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CCCN1C(=O)OC(C)(C)C 1147823787 VIQGURRSUKZCTB-XZOQPEGZSA-N 435.565 1.511 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1286297495 BVGGXLIYYOAJRX-RDTXWAMCSA-N 439.545 1.780 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286301008 ZOGKGJKUNKKGFS-DFQSSKMNSA-N 442.589 1.926 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286386952 KNLNANDLFRCFPQ-GOSISDBHSA-N 441.561 1.277 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1286389274 HDFKBMOLYGRLMO-IBGZPJMESA-N 436.541 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)Cc1cccc(F)c1 1286414811 CKJIYGIPEPTWQT-UHFFFAOYSA-N 438.507 1.377 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1286419616 BJZOTAXBRBMGFK-HNAYVOBHSA-N 435.575 1.320 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1CC 1286508690 KLHBGGKKBBHDSG-ZACQAIPSSA-N 441.623 1.602 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1286516231 YSOCSQPYCKLOGE-PKTZIBPZSA-N 431.581 1.769 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1 1286778692 DECSHGRIFZPXOU-NVXWUHKLSA-N 432.550 1.532 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286788931 KFIIOSQPOUZFJM-UHFFFAOYSA-N 440.523 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCC(=O)NC 1286816382 KFOGLMJCCATFSF-UHFFFAOYSA-N 426.930 1.167 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1286964343 HJCDMWHTLVKIOE-LBPRGKRZSA-N 441.355 1.853 30 10 IDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)COCCO1 1289053037 TYWIKEULSZDDAB-NQIIRXRSSA-N 445.545 1.636 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1289081927 JMPMPCRYYUHZNF-INIZCTEOSA-N 427.509 1.974 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CC1 1300298431 COBWGYYFAQJKFS-IZPCHGGPSA-N 434.591 1.607 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1300409630 IZJHCAVKOAIFKF-CABCVRRESA-N 433.500 1.666 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1300465046 JXAFLFQJXDIWAU-JKSUJKDBSA-N 445.536 1.896 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300519871 CLCPXFRWPFPSEN-QFIPXVFZSA-N 448.571 1.969 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300682779 JTUUNEYUSNVKJH-YZZKKUAISA-N 443.523 1.852 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cc(C)nn2C)CC1 1300701362 PWOMIJJFXHARBL-UHFFFAOYSA-N 425.487 1.993 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301447311 BJVBASJEMCTYLE-OPAMFIHVSA-N 440.552 1.710 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301589128 NZNIVPLVJSRPTN-IRXDYDNUSA-N 440.566 1.157 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1 1302924019 HOLYKODTEXINNX-UHFFFAOYSA-N 434.905 1.753 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCCN2CCCCC2)CCO1 1303010530 XGKFBIHRVCGLOL-IBGZPJMESA-N 429.569 1.785 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1315800334 XFOCXGAQZFGMLF-MOPGFXCFSA-N 441.536 1.427 30 10 IDEE CON(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1316304164 WKJNSVQZGUWHGS-ZPHPHTNESA-N 439.476 1.671 30 10 IDEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1321798290 VQJDJXBXEOMVCH-UHFFFAOYSA-N 440.548 1.511 30 10 IDEE N#CCc1ccsc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1348904139 UCJCZXJNGVBNGM-CQSZACIVSA-N 439.540 1.532 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1358959613 MISGTNMBGISEGA-QGZVFWFLSA-N 446.529 1.463 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358961476 ZWWMLZKTDIBRTN-KRWDZBQOSA-N 446.577 1.815 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1358962826 XZWOXXRXXLFLLL-INIZCTEOSA-N 446.577 1.525 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358963929 QESUXQYYRVRSLU-FUHWJXTLSA-N 448.520 1.627 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358995716 CDMITALCSWZGCB-LJQANCHMSA-N 446.477 1.990 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1359023954 BMIVEDQKLJVOQZ-HXUWFJFHSA-N 431.581 1.903 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359057158 UDAMVSOELRSWBN-ROUUACIJSA-N 432.594 1.731 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1359067909 HLOAEMXZEVEWBM-HXUWFJFHSA-N 446.602 1.711 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1359133770 YZUPMLXISSRSDS-SFHVURJKSA-N 439.582 1.125 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCS(C)(=O)=O)CC1 1359165125 HLIQNGMBRAAWJN-INIZCTEOSA-N 430.596 1.552 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](CO)O1 1359233777 QPTPCJBBGZYPLX-DLBZAZTESA-N 435.550 1.358 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC[C@@H]1C 1359327232 WFBRKTGUCMCBNX-AWEZNQCLSA-N 436.563 1.468 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1360315085 BDFTWZZOYXSGCO-KRWDZBQOSA-N 436.513 1.065 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1360338930 NLKDDQKBYISBAF-YADHBBJMSA-N 430.553 1.927 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(O)cc2)CCOC1 1360348047 RLILWIROPPJHAB-UGKGYDQZSA-N 427.505 1.996 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1)c1cc[nH]n1 1467463113 FBGJPKRGXVJPON-GOSISDBHSA-N 437.456 1.413 30 10 IDEE CCCCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1470805885 WAVUBWGBFUVANI-QGZVFWFLSA-N 445.951 1.625 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)CCO2 1471326129 LQOJNEVJGMHKKO-LRZVDXDASA-N 426.517 1.886 30 10 IDEE CCCN1CC[C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1500961191 HHNBTHPDPJJYCG-NNMXDRDESA-N 432.569 1.779 30 10 IDEE CCOCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1503215815 XRIXEOQANAGFBU-JOCHJYFZSA-N 441.536 1.560 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N(CCC#N)CC2CC2)c1 1503827967 CKZQCNRUBRWPKE-SFHVURJKSA-N 444.561 1.868 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1505041453 WJESKQHUWYKEGA-PMACEKPBSA-N 438.532 1.975 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1507556174 FDDONONJKJQXQZ-MRXNPFEDSA-N 446.581 1.563 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507562392 XBSXIDQBBVDRGO-ZIAGYGMSSA-N 426.443 1.538 30 10 IDEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507569072 ZHKODXWVPFHMRD-UHFFFAOYSA-N 442.608 1.795 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507631203 MTABLSGCKBHPHG-ZDUSSCGKSA-N 431.440 1.826 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507639076 VJAPSABSOUWGBC-OAQYLSRUSA-N 434.544 1.104 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1507640821 WPMWECIJJSFQNQ-IBGZPJMESA-N 441.557 1.384 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F 1507689335 JXRZXPVIISOYTI-UHFFFAOYSA-N 432.479 1.293 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1507715697 HHJFIHFYCGZVEE-HXUWFJFHSA-N 449.603 1.618 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)CC1 1507748190 NOWNDTFYNHGKGY-UHFFFAOYSA-N 429.502 1.929 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507800829 QBZSAXHYAGCDIT-BUIAKZPTSA-N 428.493 1.077 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1507844078 BRXPXLHOOARJQT-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1508421619 BWYCTHHGZGLKOK-RVKKMQEKSA-N 442.611 1.493 30 10 IDEE Cc1cccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511127686 FGBIUXCMWFWPDV-QQMHEVNUSA-N 437.504 1.790 30 10 IDEE CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1534482117 UQYVHRQXDNFJNE-CJNGLKHVSA-N 438.937 1.822 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1539002212 AVWHIRWFYROSPU-QGZVFWFLSA-N 449.559 1.761 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1539017313 ZJQVIMQRBUMZGH-HIFRSBDPSA-N 438.579 1.136 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1539072531 SGXYJRXWIHNUAK-IRXDYDNUSA-N 441.623 1.746 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccn1C(F)F 1539167417 FIJPQOXINZBSIL-UHFFFAOYSA-N 434.476 1.948 30 10 IDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539220644 UKRBFLPXOVHMPQ-QGZVFWFLSA-N 434.949 1.674 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539220708 KZGLWJTYTGIRDB-SFHVURJKSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539225813 PYZCXWVYMVQUFO-GOSISDBHSA-N 435.594 1.506 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539318722 VWKXTYBYHVZVJN-OTWHNJEPSA-N 426.565 1.580 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539318803 YLVDBKJDJXIILP-AZUAARDMSA-N 447.543 1.361 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1539319573 BPQWPGKBCIZDQR-DEOSSOPVSA-N 437.544 1.882 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1539323771 LDEIWFKGUVBBHQ-OALUTQOASA-N 431.606 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1OC 1539333948 QIZOHRRXVSZGNV-MSOLQXFVSA-N 441.557 1.784 30 10 IDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1539960890 IRESWDVVWUEWSX-UHFFFAOYSA-N 442.545 1.783 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1540862744 IGJDMVJUBAYGQO-WSTZPKSXSA-N 445.612 1.473 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540868126 SKKBLUWUKUJKPI-ZDUSSCGKSA-N 437.426 1.147 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540875816 YNIIHCFZYBLQEZ-AEFFLSMTSA-N 440.504 1.402 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2CCOC2)CC1 1540898102 ZKPKUORCUOSDEH-KRWDZBQOSA-N 439.582 1.270 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1540961125 WHIAWZHQWVVZKU-NNMXDRDESA-N 446.552 1.306 30 10 IDEE Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cnn1CC(C)C 1542096918 AZHTVVRLIQOWTG-OAHLLOKOSA-N 448.597 1.838 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1554177679 KBHVECDYZXPNPX-XUTLUUPISA-N 430.472 1.898 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1554371035 FIQKYDKPPCNPKZ-QZTJIDSGSA-N 435.532 1.836 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555426856 NSEGWXHQJGMDKY-XMSQKQJNSA-N 442.520 1.842 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1555582544 MPDQTMXYGKTUPU-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCCC2)C1 1555986019 DIUJKIQJOJZHAH-NRFANRHFSA-N 431.516 1.635 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 1556099343 NQIAGQKETHBWRE-MRXNPFEDSA-N 430.486 1.339 30 10 IDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1558464267 FLKUHANUWWQRLH-OXQOHEQNSA-N 449.433 1.988 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1 1559358174 APIKGCQHAJURLA-UHFFFAOYSA-N 445.357 1.444 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OC 1561929257 MPALJCGOJDJJFN-LBPRGKRZSA-N 425.429 1.493 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1586185199 SSYJKGXNUCINOP-ZDUSSCGKSA-N 436.584 1.870 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1587392649 QJOAJZFODBGLBQ-JKSUJKDBSA-N 430.530 1.745 30 10 IDEE CCOC(=O)CN1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1587536772 WIPKIQHZMDLSBY-UHFFFAOYSA-N 449.349 1.854 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@]1(N2CCOCC2)CCSC1 1587651795 RBIOKDNASLRJOT-XMSQKQJNSA-N 426.590 1.930 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)C(C)(C)C 1588173601 FVDGZIZOAOTPKQ-PMERELPUSA-N 426.546 1.936 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1589493480 HOLXDTDJSJDVFP-MHORFTMASA-N 441.598 1.731 30 10 IDEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594788749 SCIQJZAFDOHEOQ-KRWDZBQOSA-N 444.923 1.338 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1594963927 ZWSGBBZWNCHMRK-INIZCTEOSA-N 436.534 1.230 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CC(N)=O)CC1 1595784094 CHSQSLKDQUMBAK-UHFFFAOYSA-N 447.561 1.646 30 10 IDEE COc1cc(N)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1S(C)(=O)=O 1610995952 OBQDQQLGVNMLQH-UHFFFAOYSA-N 432.477 1.654 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1612923059 ANEUEWUHBGDGAS-MEUCICPISA-N 437.504 1.870 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1=O 1618479301 AQQGUNXRGFLMON-QGZVFWFLSA-N 428.518 1.062 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620138453 IPPSKFGJJSISNK-DPHDRGAJSA-N 426.452 1.836 30 10 IDEE C#CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1626434189 FYFAZUQOQCYBKS-JWRWLIQVSA-N 435.546 1.422 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1628849590 JNWVRIBIHKLZDY-ICSRJNTNSA-N 426.517 1.868 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 1631091901 AGFBLLIPVKJOFW-OAHLLOKOSA-N 433.350 1.938 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 1631474258 SRPOOFLRBAPRDX-FQEVSTJZSA-N 433.512 1.916 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(CN3CCNC3=O)cc2)cc1 1632230430 PQKLVSNFMQQWRG-UHFFFAOYSA-N 426.498 1.315 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(c3ncc(Br)cn3)C2)c1 1632757189 OGQSQSUMWRBSQD-UHFFFAOYSA-N 435.303 1.390 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 1632961420 ZPCCJWQJGRJJRC-UHFFFAOYSA-N 438.706 1.467 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1 1644281805 MEIUICUVCCLSMQ-UHFFFAOYSA-N 436.534 1.407 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)cc1 1645427349 OGSIJMCTHFQOQE-KRWDZBQOSA-N 435.546 1.973 30 10 IDEE CC(=O)N[C@@](C)(C(=O)N1CCc2c(sc(N)c2C#N)C1)c1ccc(S(C)(=O)=O)cc1 1646254834 FRXQUIHGXYGNNR-HXUWFJFHSA-N 446.554 1.542 30 10 IDEE C#Cc1ccc(NC(=O)CCN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1653923396 LRIJTTWZODTZGP-UHFFFAOYSA-N 430.486 1.815 30 10 IDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1F 1655318389 AQGZYHUOOUBTPM-UHFFFAOYSA-N 447.510 1.445 30 10 IDEE C#CCC1(NC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CCOCC1 1666934898 BEKQRQLJTSIRAS-LJQANCHMSA-N 429.517 1.732 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)C1 1671489785 BDHYEGIJZQKQOT-WBVHZDCISA-N 443.504 1.619 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1681675285 OBVMWKTWXWZCJT-MRXNPFEDSA-N 427.567 1.856 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NC(C)C 1689861451 VMFGZUBBPVWYLD-HXUWFJFHSA-N 437.592 1.625 30 10 IDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1689931694 FRWZJMKLNGIVPJ-SFHVURJKSA-N 437.610 1.911 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1689986368 ODCKNGXLDVRSGG-GOSISDBHSA-N 438.513 1.419 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689990390 NUXWJOHAJMYBNE-RBUKOAKNSA-N 444.557 1.796 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690485100 LQMVXSHHRYPPNA-DOTOQJQBSA-N 449.581 1.721 30 10 IDEE C=CCN(c1nnc(CCOc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1690548731 MDCGBLJUFGOIIS-UHFFFAOYSA-N 446.573 1.994 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690672032 GEQQTBGYLRQPJL-HKUYNNGSSA-N 445.612 1.158 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1696807502 CSCUJMBFJOTGOO-UHFFFAOYSA-N 444.561 1.733 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cc(C)on1 1698150319 GAAZJPPHKDUIGS-AWEZNQCLSA-N 439.476 1.882 30 10 IDEE CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698339454 FSSFGGHSYJLECV-ZBFHGGJFSA-N 426.550 1.574 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(O)CCOCC2)CC1 1698492483 GUGRJWUNFLJDLF-UHFFFAOYSA-N 439.520 1.987 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1698492807 FXWYQNVFVOKOEU-HRCADAONSA-N 428.459 1.785 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1698493861 YQOCFZDLJZFMTB-HXUWFJFHSA-N 447.499 1.518 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705475541 MOQRJIYEDJKWGV-HKUYNNGSSA-N 440.548 1.947 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1705565294 GLTXGYLNCRZYCQ-OAHLLOKOSA-N 430.559 1.908 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2csc(C)n2)n1Cc1nnn(C)n1 1705619804 BYAYXJPSGHMRSC-UHFFFAOYSA-N 437.508 1.985 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc2c1OCCCO2 1705620676 BIKJKGZSLQQZLW-UHFFFAOYSA-N 427.505 1.712 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)CCOC)CC1 1705637415 WMNMDTIGCNKULX-QFIPXVFZSA-N 427.505 1.217 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705641080 PIWYGTMSXBOKQN-OYRHEFFESA-N 437.592 1.518 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@H](C)C1 1705900750 OAUWHWMZWBOYQV-OAHLLOKOSA-N 447.565 1.156 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1705924461 CYVDIJNQQNNICC-KBPBESRZSA-N 438.472 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@H]1CC 1705936107 KBWWEOKFOKQFPV-BZUAXINKSA-N 430.596 1.406 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1706463485 RKBIIYJKERYPIZ-GVDBMIGSSA-N 442.561 1.908 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1706632634 DFPLBFFSEDVCPS-HXUWFJFHSA-N 448.531 1.833 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C(C)C 1708954428 GQQCZJJPZAVZNY-SFHVURJKSA-N 426.521 1.920 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1712510119 BZHYKNMTXCVFMJ-APWZRJJASA-N 447.561 1.945 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2cn[nH]c2)c1 1722310073 SEXRFQCLKBNCGB-SFHVURJKSA-N 432.488 1.251 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722394892 JMKOTLNUAZWUSM-HXUWFJFHSA-N 432.933 1.611 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)nc1 1722402965 JELYUDFDXIVTOA-UHFFFAOYSA-N 439.564 1.936 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@]2(C)CN(C)C2=O)n1 1722429934 VEKGTAPKFBYVLO-QHCPKHFHSA-N 439.564 1.897 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C)COC2)CC1 1722433234 QBUPTPSMHJWCHI-UHFFFAOYSA-N 433.354 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)COC)CC1 1722695681 MAKZVJKETKSRKV-UHFFFAOYSA-N 426.521 1.105 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722697419 JOOWEBDJVQKUQZ-OAQYLSRUSA-N 449.559 1.441 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccco1 1722730252 MQVZNNSUTQUADR-MRXNPFEDSA-N 433.534 1.936 30 10 IDEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1723050935 YXJWFPXROVINJT-YJBOKZPZSA-N 426.518 1.409 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@@]2(O)CCSC2)cc1 1731181462 BTSFUVDHWRXVED-NRFANRHFSA-N 429.546 1.805 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740573515 DWYAXWNUDKNBCF-ZWKOTPCHSA-N 435.594 1.726 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1740592421 XKTXXHMPONROGG-ROUUACIJSA-N 443.552 1.998 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1740600710 QMHLXQKWFJIZPV-QFIPXVFZSA-N 427.505 1.525 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740624763 ALZBZHQAELMXNI-AQNXPRMDSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740658125 GXXUJBGUTRIOBZ-HXUWFJFHSA-N 444.539 1.917 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccnc2OCCOC)CC1 1740695136 GJUZCSNRMJFFTI-UHFFFAOYSA-N 447.543 1.872 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1740735665 YKDKNCRHEYJUTD-LRAJWGHMSA-N 441.540 1.613 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](C)(C(=O)NC)C1 1740752507 XKKGAPCKELUKKJ-SUWCGCSTSA-N 435.569 1.946 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCNS(C)(=O)=O)CC1 1740835952 KTSGJOQPIMBDKT-IBGZPJMESA-N 427.571 1.272 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740867751 UNWQBVDGRJDPFW-UHFFFAOYSA-N 428.541 1.816 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740880314 DUCKHXWGRCZPTK-ROUUACIJSA-N 442.520 1.902 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740885708 MLVRIXGVOXEIAG-RBUKOAKNSA-N 433.553 1.940 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1740951300 FAMWUICWLILATE-OAGGEKHMSA-N 428.541 1.598 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740995416 LBPBVLFQNKBLDQ-LJQANCHMSA-N 447.653 1.650 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNS(C)(=O)=O 1741196145 KEVOJLLFUVZGTM-UHFFFAOYSA-N 446.581 1.009 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)c1 1742166763 FTZSJLMCBWHZDO-LJQANCHMSA-N 436.513 1.465 30 10 IDEE CC[C@H]1CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O 1744924069 LKHWCAFPHKLKSK-REQNGYFYSA-N 444.536 1.907 30 10 IDEE CC/C=C\Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1745104419 IEBPGOQCZPITDD-WAYWQWQTSA-N 437.552 1.607 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCCC2)CCOC1 1746732639 ARJMBJJHGJHLLA-PGRDOPGGSA-N 446.552 1.452 30 10 IDEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)n1 1748022949 AIDVUACHMWOATD-LJQANCHMSA-N 439.545 1.806 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748117551 OOCGRIWVGMPWCY-LVHCJKAXSA-N 429.525 1.280 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748818204 XIMVTXNKMWIBIN-MSOLQXFVSA-N 438.594 1.689 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1748825050 VTYVHFYBYVRYMH-DLBZAZTESA-N 447.586 1.922 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCn1cc(Br)cn1 1748883257 YTKJRSBIKBIDEF-UHFFFAOYSA-N 427.310 1.801 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nc(C)cs2)CC1 1748977923 FHZCDMOTRBQPOG-OAQYLSRUSA-N 430.578 1.887 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749364296 PCHUZASDEFWROU-SJLPKXTDSA-N 443.596 1.621 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749658293 MTAJOEHJLKCJRT-XOBRGWDASA-N 432.912 1.680 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1749668889 FZVBRKFNZKBMFU-ARFHVFGLSA-N 434.541 1.434 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CCc2ccccc2)CC1 1749676453 QPTXYUJSZUUJNM-UHFFFAOYSA-N 445.571 1.931 30 10 IDEE CC(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1750036045 YVDAVOHJAYERFH-KRWDZBQOSA-N 445.531 1.848 30 10 IDEE CC(C)(C)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750458513 VQQXEQVOSKZZNH-BVFCJKAASA-N 444.536 1.560 30 10 IDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1750687479 HWGBLLVGLIYLCA-MOPGFXCFSA-N 446.577 1.863 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)cs1 1751762690 GIKUKXGKMUMJAB-CYBMUJFWSA-N 438.579 1.169 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760188194 NGIBLOGINGLABU-RBUKOAKNSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1760190023 XICRVZHWGPWHIC-QZTJIDSGSA-N 438.594 1.740 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N(C)C)CC1 1760270709 WZLZGZBINSPUQO-QGZVFWFLSA-N 426.540 1.924 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760306282 ATZXAYQUUZTZPK-NWDGAFQWSA-N 438.286 1.407 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1760313188 KLSZLVUEYPLSKW-IEBWSBKVSA-N 440.552 1.514 30 10 IDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760451633 OYUNOKOJUQNOAK-INIZCTEOSA-N 430.557 1.991 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760528383 AWSYKKBZZRLVMW-OAHLLOKOSA-N 430.469 1.378 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)C1 1765672153 JGKAYLDQUGJYBP-IBGZPJMESA-N 442.545 1.681 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)CC1 1765701917 CSZGORGNILXYKU-UHFFFAOYSA-N 446.533 1.530 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCSC1 1767061663 BXZSXUGQFYLIIH-OAQYLSRUSA-N 426.546 1.890 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1767251437 AJFFKAMOCQXSLD-SFHVURJKSA-N 440.533 1.117 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1770684777 HSHWOQMOMKKCQQ-UHFFFAOYSA-N 438.532 1.853 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1772567342 RINDEWHVXKUEIG-ZQHDKMAOSA-N 431.562 1.848 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)CCN2C(=O)c3cccnc3C2=O)C[C@@H]1c1ccccc1Cl 1849100480 GSJIOCOWSNKPSG-CJNGLKHVSA-N 444.900 1.900 30 10 IDEE N#C[C@@H]1CC12CCN(C(=O)[C@@H](Cc1c[nH]c3ccccc13)N1CCS(=O)(=O)CC1)CC2 1852729451 GWOKXTMNBIULJX-GHTZIAJQSA-N 440.569 1.962 30 10 IDEE C=CCC1(S(=O)(=O)NC(C)=NOCC(=O)N2CCN(c3ccccc3F)CC2)CC1 1853581957 MARYNFRXWAYGKL-UHFFFAOYSA-N 438.525 1.852 30 10 IDEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854693631 FOGBBUMQUZWFBC-GHMZBOCLSA-N 434.301 1.673 30 10 IDEE CN(C[C@H]1CC(=O)N(C(=O)c2ccnc(Cl)c2)C1)C1CN(c2nccnc2C#N)C1 1856278775 UQGKZKFTOBLCOX-CYBMUJFWSA-N 425.880 1.206 30 10 IDEE N#Cc1ccc(OCCN2CC[C@@H](N3CCN(C(=O)[C@H]4CCCS4)C(=O)C3)C2)cc1 1856728805 PVYZEDKUXJWRFS-UYAOXDASSA-N 428.558 1.578 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(Cl)ccc3C)C2)CC1=O 1856804734 FBVKIXSIMKEHHA-HIFRSBDPSA-N 428.894 1.531 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N(CCO)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1857960951 VISRMXVFOGSYFY-HXUWFJFHSA-N 447.488 1.546 30 10 IDEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC(C(N)=O)CC3)ncnc2n1CCCOC 1873559764 QEDBXHQAKAPJJA-UHFFFAOYSA-N 440.548 1.984 30 10 IDEE CN(CC1CCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1)c1ncccc1C#N 1891600665 PVGVQBPBOJOLLN-UHFFFAOYSA-N 441.513 1.935 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1985786346 KIQYKHNSXIITBC-LSDHHAIUSA-N 428.530 1.965 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2006231410 NHHRYOHCMIAIEK-CHWSQXEVSA-N 427.361 1.822 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2243217915 CMMTYVJRYPDNPD-OAHLLOKOSA-N 428.530 1.919 30 10 IDEE Cn1nc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2255625288 PIQNRUDYZDJNHS-BJJXKVORSA-N 432.330 1.457 30 10 IDEE Cn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2255648611 NBACBPXDUDDPAA-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255822798 PRNSYWDCJAZEJX-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE CCC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255865229 FLHBVYWSJUGKQD-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2267277883 VLNWZCVJBXILKM-UHFFFAOYSA-N 449.357 1.806 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2267543555 HTCAEBYOZQMHJH-UONOGXRCSA-N 449.361 1.538 30 10 IDEE C=CC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2315532366 GXANMSLSZGBPKL-UHFFFAOYSA-N 432.330 1.625 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CCO)COCc2ccccc2)n1 2320419206 LUQXAASXDRWOBU-QGZVFWFLSA-N 429.326 1.417 30 10 IDEE COc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 2327829863 OLYCQUBFZRAPPM-AWEZNQCLSA-N 430.534 1.861 30 10 IDEE CC1(C)CC(=O)C(=CN2CCNC(=O)[C@@H]2CC(=O)OCCOc2ccccc2)C(=O)C1 10120766 IUNNHPHRPKHGMA-SFHVURJKSA-N 428.485 1.641 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCC[C@H](C(=O)OCC)C3)cc2C1=O 22067486 MPISOPUXUWMKMK-HOCLYGCPSA-N 442.468 1.816 30 10 IDEE CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC(=O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 139536557 ZOWFVZVBZIZPRC-VHLFNVMMSA-N 448.487 1.646 30 10 IDEE in-vitro C[C@@H](C(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)n1cnc(C#N)n1 409829768 FTMSCSINVGLXHB-ZDUSSCGKSA-N 428.449 1.967 30 10 IDEE Cc1ccc(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)cc1S(=O)(=O)NCC#N 427995742 MATVIZADFHUWOA-CYUBZGNQSA-N 427.526 1.036 30 10 IDEE C=CCNC(=O)NC(=O)Cn1cc(C(=O)OCC)c(=O)c2ccc(Br)cc21 428032789 OWFMKCZZVGWKAC-UHFFFAOYSA-N 436.262 1.953 30 10 IDEE C=CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 448375500 OGZYAKFQIHSHCW-UHFFFAOYSA-N 425.507 1.127 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 460547051 MBKYCDUSTGZKMT-JKSUJKDBSA-N 429.612 1.909 30 10 IDEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CCOC)C(=O)C1 460691569 OUKASIKMQDRXOQ-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE Cc1ccc(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)cc1S(=O)(=O)NCC#N 496243997 KIIOPOJOFHWIAK-HNNXBMFYSA-N 439.497 1.325 30 10 IDEE CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 505267435 YWBASELGSIERAT-UHFFFAOYSA-N 425.533 1.484 30 10 IDEE CCc1nnc(N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c(C#N)c1CC 507914530 XKUWZNPSGWDLEF-FQEVSTJZSA-N 436.564 1.833 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)n1 533085918 PHXFXJMHYJVCDE-HNNXBMFYSA-N 439.537 1.612 30 10 IDEE CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C#N)n2)CC1 549439226 AUXVEUNEIIECKR-OAHLLOKOSA-N 432.554 1.138 30 10 IDEE CN1CCC(C#N)(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CC1 570731702 RIDYOJAIKFOQSA-ZEVCKCCMSA-N 444.535 1.570 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1C1CC1 581858086 ADXAPDKSQZRSPJ-UHFFFAOYSA-N 425.510 1.449 30 10 IDEE CCOC(=O)c1c(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)sc2c1CCCC2 586348876 HLFHGRMOFWSZJU-GDLZYMKVSA-N 439.559 1.863 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@H]1CCCO1 590914654 LALSQRSCOMKIHH-GOSISDBHSA-N 425.554 1.735 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 603798894 PHRSYGPJZCSFLR-MRXNPFEDSA-N 445.491 1.492 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(C)=O)C[C@@]5(C)CN4[C@@H]6[C@@]2(O)[C@H](O)[C@H]1[C@@H](OC(C)=O)[C@@H]73 725325745 FWYGVCOTAAEFJY-UVXYKNMHSA-N 429.513 1.021 30 10 IDEE CS(=O)(=O)CCN1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 731686541 ZAGPOKINMSYDOL-UHFFFAOYSA-N 434.562 1.620 30 10 IDEE C=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)C(=O)OCC 734026707 JEPSXMFPUQXWPQ-UHFFFAOYSA-N 443.474 1.001 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 742407250 FRKCWJBPRYUOIX-UHFFFAOYSA-N 426.442 1.179 30 10 IDEE C#CC[C@H](NC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757275400 JCVIKOWOIOMJJC-FQEVSTJZSA-N 449.463 1.234 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763383098 VMDKDOOIGPVXAF-UHFFFAOYSA-N 437.890 1.997 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F)c1cc[nH]n1 772340841 SSYAILMMQXTNAA-HNNXBMFYSA-N 430.387 1.464 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2cccc(N3CCOCC3)n2)C1 776179027 FGOAQBUZVXGVPF-DOTOQJQBSA-N 430.509 1.476 30 10 IDEE N#CC1(c2ccc(C(=O)NS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1 777339840 QWMUBQZGWSAYGT-UHFFFAOYSA-N 437.477 1.988 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 778641221 UMHSHAWPOAPMIL-HXUWFJFHSA-N 437.500 1.933 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c(=O)n1C1CC1 781136169 IHUXACOCVLHXRY-UHFFFAOYSA-N 448.552 1.472 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)OC)C[C@H](OCC)C2(C)C)ccc1F 781845521 NFLILFYKAUBHHO-OXJNMPFZSA-N 442.509 1.767 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(Cl)c1Br 792227983 GBYLDVAXNCRKDB-BUHFOSPRSA-N 441.669 1.684 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C 807716545 NYAXFDCNWKFMCA-ZQIUZPCESA-N 436.534 1.739 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 814613915 XALVODIHDPWPBQ-UHFFFAOYSA-N 430.461 1.699 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1159641084 BWLIUZJCINCBOM-ZDUSSCGKSA-N 448.339 1.636 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN([C@@H](C(N)=O)c1ccc(C#N)cc1)C2 1197759137 NGIKMLFWYJYLQF-OIMFZILRSA-N 442.516 1.863 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCOC[C@H]1OCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 1226547343 OTHCXVFRBIXCEE-RTBURBONSA-N 439.553 1.851 30 10 IDEE C#C[C@H](NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(Br)cc1 1230498593 GIKZBMCPAAZIHT-ZDUSSCGKSA-N 436.353 1.480 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2ncc(I)cn2)CC1 1251169434 IZYANVDHEHQRLG-OLZOCXBDSA-N 429.262 1.256 30 10 IDEE CN(c1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1)S(C)(=O)=O 1251517379 RMKDNTPLIDPNBT-UHFFFAOYSA-N 428.518 1.381 30 10 IDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1286340380 ZJTJUCLJUVWFTF-GOSISDBHSA-N 441.532 1.905 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C(N)=O)nc1 1286437803 MPWUTRVBYBOVGT-UHFFFAOYSA-N 438.513 1.350 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286606582 VFPGERJJTWSCIX-DMPWYTOCSA-N 446.552 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825709 VKMYKMYWEZAPJX-LPHOPBHVSA-N 428.555 1.145 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1288520734 VTXNXDOACZJCNI-CEXWTWQISA-N 431.585 1.853 30 10 IDEE CN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 1289437575 ZHTDDAXFUBRYRW-CLKWJJAWSA-N 439.896 1.395 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC(=O)NCc2ccccn2)C1 1295583281 RCSJUURUECTVAK-UHFFFAOYSA-N 442.317 1.975 30 10 IDEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1298714803 QFSDHJHXYQPMTE-OXJNMPFZSA-N 438.573 1.887 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCOCC1 1300654677 DHXVQOZRLSIZCP-SFHVURJKSA-N 441.532 1.523 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1300684924 CPAKEHBFWDMNRX-VIZSFHNOSA-N 431.581 1.889 30 10 IDEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301118648 DLYMIQNXSXOVAO-UHFFFAOYSA-N 445.549 1.794 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCOCC1 1301294870 UDALBXRYGPBQNQ-SFHVURJKSA-N 426.569 1.795 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1301588597 ICGSTRXXZMLIRI-MOPGFXCFSA-N 437.610 1.695 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301589144 OENAMWKBMNVPHU-DLBZAZTESA-N 434.566 1.500 30 10 IDEE Cn1cc(CC2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 1301623689 OWABVSRLHGWGSE-UHFFFAOYSA-N 429.546 1.720 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)C1 1302630781 PTQNRFVXYWHUKL-XCLFUZPHSA-N 430.848 1.485 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1303405486 VXDUWWNNWYAEPH-OALUTQOASA-N 445.568 1.179 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)N1CCOCC1 1303694218 DNHICJZSOQXVJV-KRWDZBQOSA-N 437.548 1.629 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305592858 REJVNJKSSCTJPN-RKLWJJNISA-N 429.477 1.143 30 10 IDEE COC(=O)[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCOC1 1305794266 PWMQOFRRSTZIKG-LRDDRELGSA-N 436.306 1.699 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(F)(F)F)c2ccccc2C)CC1 1312605389 WNCBLFIYKGBFKN-MRXNPFEDSA-N 432.468 1.783 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314634109 UIKCMLPENCAVRI-SFHVURJKSA-N 438.492 1.508 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1315744778 CLFLYLUSTGDTMX-TZIWHRDSSA-N 441.532 1.989 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1316343790 NYYVXQMPDMFPDA-KRWDZBQOSA-N 435.575 1.556 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3C)n(C[C@@H]3CCCO3)c2=O)cn1 1318430449 MTLULBIZZWOXFG-SFHVURJKSA-N 448.548 2.000 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1358920083 ROQGOIXDNFGUFP-IRXDYDNUSA-N 439.582 1.324 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358965489 WDSZKHRRTXYFFT-PKOBYXMFSA-N 446.573 1.787 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358977392 LGXYRTGDHVEWBN-IRXDYDNUSA-N 428.537 1.805 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1359009969 CLYOUTWKFKFMDG-GJZGRUSLSA-N 438.579 1.331 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1359013958 RSYWGWOPEXGNNC-UHFFFAOYSA-N 428.518 1.224 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1359062371 FRPWEUITVJWDSC-RDJZCZTQSA-N 442.607 1.382 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1359092172 XVLAVTPKCUCGGX-PDOICOKGSA-N 439.582 1.486 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCCN(S(C)(=O)=O)CC1 1359105378 NRNPHYRKWRDZFZ-FUHWJXTLSA-N 427.571 1.268 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359304515 ZNOXVBGBEJARFU-KRWDZBQOSA-N 426.521 1.443 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1359330132 IEEMUEPGYIGGOC-UHFFFAOYSA-N 442.549 1.001 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NC)CC1 1359333985 PWXSZNPJZUEMCM-UHFFFAOYSA-N 449.552 1.571 30 10 IDEE C#CCN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 1456088041 SQKHXQWORYAAET-TZMCWYRMSA-N 425.304 1.524 30 10 IDEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CCO[C@](C)(C#N)C2)cc1 1456479876 ZKJORTGTTFMROL-PKOBYXMFSA-N 441.575 1.626 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCN1CCCO 1505069764 JKFGYTPUIOHMQY-UFYCRDLUSA-N 446.596 1.979 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1505270053 CIGYFCDALHSFCT-AYOQOUSVSA-N 445.545 1.777 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1507617597 WQPSJZKKXDQHEE-APWZRJJASA-N 445.545 1.247 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507627647 KVJBCYWCNUSCGV-FUHWJXTLSA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507632124 XFFNCZNVLUVZCX-ROUUACIJSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1507632751 AIMAAFLYDBQXLP-GOSISDBHSA-N 428.562 1.511 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1507639593 ZVIROPRKSUFGNT-IBGZPJMESA-N 432.546 1.636 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN2CCCO)CC1 1507736686 PQJIIFSXSQIZCR-IBGZPJMESA-N 439.564 1.086 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1507852963 FQYRBVFBCCQXMS-LBPRGKRZSA-N 444.911 1.715 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507982692 QDUZRNDJDRXOBK-AWEZNQCLSA-N 443.533 1.498 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccs2)CC1 1508070873 FWRUBTZMJDPSAT-UHFFFAOYSA-N 445.593 1.887 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508091652 MZZZGORQMOZQRU-SFHVURJKSA-N 447.561 1.399 30 10 IDEE CC(C)COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1509450319 ZQCFEAJJQLSGPP-KRWDZBQOSA-N 441.492 1.657 30 10 IDEE CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1516967465 BVKRNOGOJXTNKX-UHFFFAOYSA-N 445.531 1.802 30 10 IDEE CN(CC1CCCCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1517217507 KNJOXJPQBIQZNG-QQMHEVNUSA-N 441.536 1.772 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1519067695 SLYXPLKYLBWFRK-KRWDZBQOSA-N 437.548 1.642 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)cc1 1521095961 UBDBJVBSJYTTSL-LEWJYISDSA-N 435.532 1.782 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1527788218 VSCKIPPHIHXXNE-UHFFFAOYSA-N 435.274 1.849 30 10 IDEE CS(=O)(=O)CC1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1 1529087715 UBEXABOGIGSNMM-INIZCTEOSA-N 432.502 1.094 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1539006432 YKKCXZJTFSDBJN-ZIAGYGMSSA-N 426.502 1.487 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539053108 ZIYLOOHTJHXGAP-IEBWSBKVSA-N 441.557 1.867 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c1 1539122363 VAUXLMXHNILVGM-CKJXQJPGSA-N 433.530 1.867 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1539171189 IRAJUUVNZLUZRD-UHFFFAOYSA-N 440.529 1.086 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1539770248 HSQGGEXVMYHXFR-INIZCTEOSA-N 435.960 1.849 30 10 IDEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)C1 1539811422 BFKNCAYRSYJUIR-UHFFFAOYSA-N 443.983 1.674 30 10 IDEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 1540128154 MXRIHHFCJUNFTE-IBGZPJMESA-N 426.498 1.500 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540872711 YHLJRSCNMIXFDR-ZDUSSCGKSA-N 439.488 1.073 30 10 IDEE CC(=O)NCC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541067034 CLGHUTJZSOMYMT-ZZEZOPTASA-N 427.509 1.034 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1541115845 FYUOZTNVSPITIZ-ZBFHGGJFSA-N 431.518 1.596 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1554128493 IMSBTTLJTWLVQG-UHFFFAOYSA-N 426.521 1.709 30 10 IDEE COC[C@@H](F)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1555274707 HVLAEDMEVJOPTP-JXFKEZNVSA-N 432.479 1.879 30 10 IDEE C=CCN1CCC(NC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1563959115 XTXZINMZXOCKAW-UHFFFAOYSA-N 425.511 1.165 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CC1 1565150727 HDGCHQIFJJAWSD-UHFFFAOYSA-N 447.605 1.084 30 10 IDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1565723352 YYOGUPFHKVUXRE-OAHLLOKOSA-N 441.351 1.297 30 10 IDEE Cc1nnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)n1C 1583247223 DLRUKSVOLMHPHL-OAHLLOKOSA-N 427.896 1.350 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1586931561 NUNDVDJGJMJIEK-HNNXBMFYSA-N 446.367 1.623 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588054951 QKQYCXIVFLFIIZ-SJORKVTESA-N 437.566 1.061 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1588064284 FKCQBLLCXIYAJX-OALUTQOASA-N 446.573 1.929 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1588646092 GRKSELUAAVIHHQ-FGZHOGPDSA-N 439.560 1.942 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)c(F)c2F)CC1 1588733465 UETPEEVZMCYSFB-UHFFFAOYSA-N 434.466 1.832 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@H]1C 1589242517 CFMPJDNPAVGAFK-RVHYNSKXSA-N 429.546 1.802 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589515791 RZSYNPMMIJRRQU-QYZOEREBSA-N 446.577 1.839 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1594784316 WRNFPZBJOVVERN-UHFFFAOYSA-N 432.569 1.802 30 10 IDEE COC(=O)[C@H]1[C@@H](C)Cc2ccccc2N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1597701529 SCPLFFFYIQIZRH-ORAYPTAESA-N 427.482 1.492 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1611620165 CYALHKDXSCBUNI-YLJYHZDGSA-N 426.542 1.721 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1628082194 ITGPFPVZKGRPSQ-AWEZNQCLSA-N 437.509 1.674 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1628907843 XTANFJRQQROLLR-CJNGLKHVSA-N 437.566 1.836 30 10 IDEE COC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1633420697 XHSUFQWPSGOKNQ-UHFFFAOYSA-N 427.482 1.782 30 10 IDEE COc1ccc(S(=O)(=O)NCCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1OC 1634254826 AZDZLFGJNGEJNA-UHFFFAOYSA-N 444.513 1.567 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 1636479644 CQQJGGMVBVTLHD-UHFFFAOYSA-N 425.308 1.156 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(Br)cc1I 1637460695 XALPDZJHHONDAS-VIFPVBQESA-N 425.020 1.774 30 10 IDEE C=CCn1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)nn1 1638491534 BLRANCQCDINAKM-MJGOQNOKSA-N 433.534 1.028 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@@](O)(CC#N)C2)C1 1643609612 OCBQADMPMQFVBZ-SFTDATJTSA-N 439.509 1.211 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN=S3(=O)CCCC3)CC2)cc1 1644051130 VHIAXFAOEXPAQJ-UHFFFAOYSA-N 438.575 1.337 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1644134540 BLQOIQRUVULDJB-UHFFFAOYSA-N 429.521 1.754 30 10 IDEE COC(=O)c1ccc(OC)c2c1CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C2 1648217943 JISBLNMLZQDBDC-HXUWFJFHSA-N 428.533 1.532 30 10 IDEE N#Cc1cn(C2CN(C(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)C2)c(=O)nc1O 1653760399 WJFHQTBKXWRZQO-UHFFFAOYSA-N 441.532 1.849 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 1655352540 BKQXHFXOJJZJHW-OAHLLOKOSA-N 433.349 1.910 30 10 IDEE CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)c1 1664432773 BULAUBBNUZBXEK-UHFFFAOYSA-N 426.545 1.039 30 10 IDEE Cc1cc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 1667358174 AQWZJHHESOGSJN-KRWDZBQOSA-N 429.506 1.172 30 10 IDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1669206247 CBCRAWSBRAWHBT-BNOWGMLFSA-N 426.461 1.013 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1676793253 CBUULKDYJAVIPZ-IRXDYDNUSA-N 427.567 1.856 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2=O)cc1 1682226184 DMVZNUKYSIUZTH-PTUXOGIPSA-N 426.517 1.216 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCC 1690013269 IQELXXOTHPLWJO-OAQYLSRUSA-N 428.562 1.862 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1690019193 CKFYRAQIMFNJRJ-INIZCTEOSA-N 445.545 1.604 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OC)c(OC)c1 1690029611 FKAKEHDCYNESSP-UHFFFAOYSA-N 439.516 1.953 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)cc(C)cc2C)CC1 1690112383 WZBVJIKYWJTUTF-LJQANCHMSA-N 444.605 1.617 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1692572499 KRISNMJZADQYRF-ZDUSSCGKSA-N 437.526 1.072 30 10 IDEE CC(C)NC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1692575143 WDAXIMIUCSAJGT-VZCXRCSSSA-N 438.536 1.766 30 10 IDEE CC(C)NC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1692575144 WDAXIMIUCSAJGT-XUTLUUPISA-N 438.536 1.766 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1696061859 YIKUNYORUDNJDD-IKYFQTQHSA-N 444.536 1.549 30 10 IDEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1696735530 PAGUEGMKUSVPNC-UHFFFAOYSA-N 436.513 1.462 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1705477570 PTFYFMOITYIOKV-ZIAGYGMSSA-N 445.549 1.290 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)CCOC)c1 1705507859 LMMSJLPDQGFWOA-XXBNENTESA-N 441.532 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705598761 QDHFYYOJCGAFHQ-SFTDATJTSA-N 440.592 1.578 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1705612805 PIGJVSYVFMHXAO-MRXNPFEDSA-N 429.612 1.460 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N(C)C2CC2)CC1 1705642521 WOIPONFKLZCMEL-QGZVFWFLSA-N 441.605 1.508 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705828122 CVAOOYOVMYPMBW-UHFFFAOYSA-N 441.536 1.106 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705829633 YAEIMODKNOANTP-RTBURBONSA-N 431.585 1.038 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1705849508 OGRUKEZNQJWUBO-CQSZACIVSA-N 442.586 1.910 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705901032 YFWBOMJNQZWHIO-HNNXBMFYSA-N 442.524 1.483 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706934558 BTMLAPKCYBOEAC-XBEJARPLSA-N 439.520 1.829 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)NC(C)C)n1 1707827574 UJOVLZOAXXATEP-UHFFFAOYSA-N 449.519 1.199 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1708275553 FUQHCEVTUADFKJ-BTYIYWSLSA-N 425.493 1.595 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)C[C@H]1O 1711460631 MMZNBLQQHSCDMM-IEBWSBKVSA-N 436.472 1.830 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1nncn1C 1712573950 GUHMDBNUSXLLJR-UHOSZYNNSA-N 436.520 1.922 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1712616347 WNTVAQMUCLAYKA-NRFANRHFSA-N 445.545 1.495 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCOCCCO)c1 1712878917 MRBIUVKDYKJLRX-WOJBJXKFSA-N 427.505 1.600 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(N2CCOCC2)n1 1722342219 UMKXLSXJKVYSIO-UHFFFAOYSA-N 425.537 1.546 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722358948 NRHZJQBTFPDQDH-QGZVFWFLSA-N 444.561 1.741 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722366617 JFCKMWDAUVUDGX-MOPGFXCFSA-N 444.557 1.660 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722558092 DPRIOIQPMQXEEF-HZPDHXFCSA-N 447.989 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC(C)C)CC1 1722726589 GVLGQXAKZYUHEO-MRXNPFEDSA-N 425.555 1.224 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCCCO)cs1 1725405792 CWWZIFVBNAMLTD-GOSISDBHSA-N 447.634 1.926 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1729232182 BQPCSZBAYVYAKM-AFJIDDCJSA-N 447.586 1.600 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1729304278 DUNWXWNYDBODBT-HSZRJFAPSA-N 448.531 1.781 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1729543004 QEQCFWSULKKJKK-QGZVFWFLSA-N 427.509 1.289 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1740532335 DMBBIZBISRDCKL-LSDHHAIUSA-N 433.534 1.360 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740602723 SCAMRFQYGUSETG-GOSISDBHSA-N 426.445 1.166 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1740616449 BFUQGEIWNAGWIS-SFTDATJTSA-N 443.573 1.114 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1740637397 AMJMINRNGPNSMC-QGZVFWFLSA-N 447.586 1.593 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)CC 1740647749 UALDENXJRRMBKX-UHFFFAOYSA-N 427.530 1.290 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC=C 1740650613 HKOLSXKJRLWZMX-UHFFFAOYSA-N 426.498 1.738 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1740671457 HVQKCKOUHDEMIC-HKUYNNGSSA-N 445.545 1.074 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740713062 DDNWPPCGGCAPQP-SFHVURJKSA-N 444.582 1.947 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740751228 ICCSDIAJGXFINH-FCEWJHQRSA-N 432.569 1.845 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1740751952 QHMNNLNBCPZMRG-AZUAARDMSA-N 434.585 1.267 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1740897837 WPVKDDVINKVCNC-UHFFFAOYSA-N 444.499 1.839 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740956461 SIBKYFSOEHVTSO-UHFFFAOYSA-N 441.511 1.724 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CC1COC(C)(C)OC1 1740991650 AVYZGFFWKPUPMN-INIZCTEOSA-N 428.555 1.218 30 10 IDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1741004127 PROBFUNFBHPMGL-INIZCTEOSA-N 436.607 1.653 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1741693064 DXVGLLIEJAQDEG-MRXNPFEDSA-N 430.534 1.212 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCOCC1 1744404138 FJNDXUKUQGFJPP-GOSISDBHSA-N 427.505 1.690 30 10 IDEE CCN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1746259634 MGNAVZZYZNTVTL-KRWDZBQOSA-N 434.522 1.360 30 10 IDEE CCOCc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1747182974 JPAUIZIHBNJQLR-NRFANRHFSA-N 449.515 1.676 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1747704077 AFKMRWXKCNCBCB-KRWDZBQOSA-N 444.561 1.951 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CCC1 1748664754 JEBJWDFMZJAODG-JGVYIQDASA-N 448.618 1.997 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnccc1OC 1748784754 SNHFWMNKDFONTP-UHFFFAOYSA-N 425.518 1.760 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1748818573 CIQAVUZGEASZKW-QZTJIDSGSA-N 438.500 1.619 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccc(N2CCOCC2)n1 1748852528 FVUXHORPQNMWIG-UHFFFAOYSA-N 427.512 1.617 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(OC)cc2)CC1 1748972736 PNHPHAGXXNYEMG-UHFFFAOYSA-N 445.527 1.932 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(O)CC(OCC)C2)CC1 1749008913 CWPCUXIVDVSHJE-UHFFFAOYSA-N 429.565 1.832 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749415962 XJFKNGAYNPLYOS-QGZVFWFLSA-N 438.575 1.938 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1749457296 IXWGPJHKKIAPHT-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1749489149 RORXFNVHLJLEJG-ZIAGYGMSSA-N 431.509 1.669 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749681140 XUXJCSILDXEVOU-KRWDZBQOSA-N 433.534 1.091 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749681848 JYTLXBSISGINAF-JPYJTQIMSA-N 447.580 1.752 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)CC1 1749690703 ZXKQDGVJRAXDOD-UHFFFAOYSA-N 438.532 1.682 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2Cc2ncn(C)n2)C1 1749719101 NVRDVIAYYPHTTM-INIZCTEOSA-N 425.493 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC3CCOCC3)CC2)nnc1C(C)(C)C 1749740177 RTZJRTSKIHAQGV-UHFFFAOYSA-N 439.626 1.725 30 10 IDEE C=CCSCCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1749763993 PDDVJSUQSBQCSP-AWEZNQCLSA-N 427.556 1.007 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1749830225 GVRLTYFRRWDRNI-HNNXBMFYSA-N 435.529 1.463 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1751095243 BFMMMFMNFKEQMX-MRXNPFEDSA-N 449.606 1.381 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N2CCOCC2)CCSC1 1760160570 HDRLSOSXSSUWMH-OAQYLSRUSA-N 434.610 1.474 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1760192082 DNMDLVNGLNPVNW-OALUTQOASA-N 435.594 1.458 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC[C@@H](C)C2)CC1 1760251886 KROCMWZGBWLXLP-LJQANCHMSA-N 429.613 1.684 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CCOC)CC1 1760254856 NGIHUMPTCPIRSM-XMMPIXPASA-N 449.559 1.878 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCO[C@H](C)C2)CC1 1760262916 GTEQBYIFPLQHPE-OAQYLSRUSA-N 437.592 1.520 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760275788 ISTFURWQMAJZNP-HNNXBMFYSA-N 447.586 1.382 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCNS(=O)(=O)CC)CC1 1760383403 PFYWMZLPPBNXCP-IBGZPJMESA-N 427.571 1.416 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760421438 OSUWGZNCBBNFLU-SFHVURJKSA-N 443.596 1.660 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760488021 JPJJYUJZDMYNSH-APWZRJJASA-N 438.575 1.933 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760522884 FJWGDVCPCLQLOG-CQSZACIVSA-N 428.518 1.352 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2CCC[C@H]21 1760554524 GJXHWPUJANSLPY-GVDBMIGSSA-N 442.607 1.550 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC(C)(C)O[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1761207754 WNNHUJKETAMKSB-OAQYLSRUSA-N 428.493 1.704 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1767175043 WSIXHKLJWADONS-ZWKOTPCHSA-N 435.532 1.694 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1 1768287804 WZJFONPAGILEDM-KRWDZBQOSA-N 426.543 1.702 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1768808030 PUJCZJOYGIEBTJ-SLNYWTKHSA-N 447.499 1.816 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1769677111 QWVRXRYIRQPFEP-GOSISDBHSA-N 433.534 1.779 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)OC2=O 1774174029 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XPHWNLUPLCADIS-UHFFFAOYSA-N 427.530 1.667 30 10 IDEE CC1(C)OB(C2=CCCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1929619055 BHCDPLRWWYVUAO-UHFFFAOYSA-N 446.334 1.876 30 10 IDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC(=O)NCc2ccccc2)OC1(C)C 2243415405 UGRKKGDPAHOFIN-UHFFFAOYSA-N 436.364 1.642 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248396101 VHGAJLKDPOHEFQ-JTQLQIEISA-N 440.331 1.150 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255544597 BWAPSJWSPUHCSV-LSDHHAIUSA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256891038 JXJBFWRASNDKRX-LSDHHAIUSA-N 437.321 1.984 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2259345123 CTXPTHUBUAZCNU-OLZOCXBDSA-N 435.334 1.147 30 10 IDEE C[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267001632 NPCGRPDYYAWNEQ-DOMZBBRYSA-N 441.259 1.910 30 10 IDEE CC1(C)OB([C@H]2C[C@@H](C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C3)C2)OC1(C)C 2267118175 IYSPKKZBJGGNHW-RVMXOQNASA-N 447.263 1.240 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267127554 JWXBOCRGCILUPT-WCQYABFASA-N 444.263 1.391 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267182443 GQCOOAHYUDPBIS-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267264519 SERNSFTYLYMJSL-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267456726 KWSGGBDMJIBYGR-GOEBONIOSA-N 446.357 1.801 30 10 IDEE Cn1ncc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2267510495 LVNBHIULUWYTSJ-HZPDHXFCSA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2CC2)C1 2267550122 VFUXSWPDDXZNRC-UHFFFAOYSA-N 444.341 2.000 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2269073146 GUNGQQRADOLRAX-LJQANCHMSA-N 439.321 1.696 30 10 IDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)C1CC2(C1)OCCO2 2295336126 RRYDPGUYOXKRRQ-LBPRGKRZSA-N 444.384 1.670 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2315420659 QCOBIWOTNNENTJ-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE O=c1c(Br)c(NN=Cc2ccccc2F)cnn1[C@@H]1CCS(=O)(=O)C1 2322659669 MMAXTJJYFNXJBK-LLVKDONJSA-N 429.271 1.951 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)CC1=O 2329012608 SSONQPKQUKGBHC-ZDUSSCGKSA-N 430.490 1.160 30 10 IDEE C#CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)noc1N1CCOCC1 36150897 ZAJOROVCSWCLBL-HXUWFJFHSA-N 429.517 1.637 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)c3ccc4c(c3)OCO4)n[nH]2)cn1 59886661 CAXGATWEJZFHFM-FBCYGCLPSA-N 429.462 1.797 30 10 IDEE CCc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444378 XHFCWPKYVSZTID-SJORKVTESA-N 435.484 1.899 30 10 IDEE CN(C)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254371900 HWZDHWODRQMPTN-GJZGRUSLSA-N 425.532 1.609 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ncc(Br)cn1 486519817 QHYZRCYMBQQSHD-GHMZBOCLSA-N 438.307 1.655 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 499185925 YHGSIKPSNQQQGV-FPOVZHCZSA-N 449.983 1.341 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(Br)ccc2C(=O)OC)c1=O 509778361 QUSXNTZBPQSREA-UHFFFAOYSA-N 436.262 1.141 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2nccs2)nc1C 526844554 JSCGJZKULPWQGQ-MHZLTWQESA-N 428.517 1.577 30 10 IDEE COCCN(C(=O)Cc1cccc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 531151572 VIJCWUPHLRIHHU-UHFFFAOYSA-N 433.468 1.673 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2CN2CCOCC2)CC1 537165544 KNGFPUMBZZGEOH-VQTJNVASSA-N 431.606 1.644 30 10 IDEE CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cc(OC)cc(C)n2)c1=O 537396404 GMTATFGFRYZSFD-UHFFFAOYSA-N 449.488 1.756 30 10 IDEE N#Cc1cc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nc2ccc([N+](=O)[O-])cc12 543436386 HUFVFSCNJWOXQV-INIZCTEOSA-N 431.474 1.645 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 559003316 AJPABWHVAWUSTP-ZCNNSNEGSA-N 446.596 1.569 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cn2)CC1 604093513 HGBLZALITIRFTD-UHFFFAOYSA-N 441.557 1.326 30 10 IDEE CN(Cc1ccccc1C#CCCO)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703975154 URGZBNBBKODXEX-UHFFFAOYSA-N 426.494 1.478 30 10 IDEE CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730140187 DQCWTBKJJNNHDW-MRXNPFEDSA-N 437.541 1.350 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(SC)cc1OC 741239323 PNUMHAVMVIPSSX-OAHLLOKOSA-N 443.550 1.855 30 10 IDEE Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cn1 745001679 DSBXUBKRONQKMH-UHFFFAOYSA-N 427.442 1.614 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)ccc2c1=O 752721773 FTOUPGZPCIWMBR-ASSNKEHSSA-N 441.513 1.322 30 10 IDEE Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1S(C)(=O)=O 759791488 WLLIEWMPOLQILS-UHFFFAOYSA-N 435.527 1.856 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 786814836 YNKLFGYKGUQLBU-OLZOCXBDSA-N 437.522 1.921 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2cnn(C)n2)cn1 807936714 QLQQTJVJTXBHFQ-LBPRGKRZSA-N 444.443 1.232 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCc2cccnc2OC)C1=O 809944510 YBIVWSGDNRGTMN-PVCXERSVSA-N 427.530 1.707 30 10 IDEE Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777449 BYTJDOPWXQEZNN-VCHYOVAHSA-N 426.433 1.637 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc2n1CCC2 918648502 ZRVQGZGWZSZFLR-OAHLLOKOSA-N 430.534 1.036 30 10 IDEE Cc1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 1132356387 IABAEPZRSHBGKF-UHFFFAOYSA-N 433.468 1.248 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)C1=O 1134232935 LMEDDQCSVFLMPP-QKKBWIMNSA-N 434.493 1.259 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)s1 1136872488 RHVSERUNTTZRSV-AWEZNQCLSA-N 447.538 1.599 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CC1 1137536846 APMRAVLIXKZJEY-DLBZAZTESA-N 427.567 1.471 30 10 IDEE CCOc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)nn1 1148538024 SXRRVTAQFQWSFC-UHFFFAOYSA-N 433.465 1.274 30 10 IDEE N#CC1(C[C@H](O)CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCOCC1 1169012731 ABZCWBQBUYJEGK-GOTSBHOMSA-N 440.588 1.867 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)c1 1180544130 UMPCJEOCMRBUKJ-ZWKOTPCHSA-N 431.518 1.249 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 1214686870 JDAPSDHOZZYAQX-WBVHZDCISA-N 427.548 1.677 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286276428 RFHRAUPUIRZTQC-MBOZVWFJSA-N 439.582 1.201 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286508654 OPEHHWYPJVWBHY-KRWDZBQOSA-N 425.624 1.705 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286819440 KUSWZJLKOQJQFS-INIZCTEOSA-N 430.596 1.550 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1288521313 ZLEAZNSFYLVHIS-WCXIOVBPSA-N 449.581 1.172 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2cn[nH]c2)c1 1300332375 CSAMHWVXQAEJNF-UHFFFAOYSA-N 427.472 1.757 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300486777 AZUWTZWHUPYLTP-OALUTQOASA-N 444.605 1.642 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1300590688 DFVMVVRPCOOPDW-UHFFFAOYSA-N 442.541 1.906 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCC(N)=O)CC1 1300863858 VJDBYYQHHGWTBH-IEBWSBKVSA-N 432.569 1.879 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300888165 IKWFXRIROUHPSU-UGKGYDQZSA-N 430.597 1.956 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300948890 HANWORJQMHCUHT-NEWSRXKRSA-N 429.569 1.184 30 10 IDEE C[C@@]1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)COc2ccccc2O1 1301395769 RCESAYJIDJOMEW-OAQYLSRUSA-N 429.498 1.852 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1301452582 UDIXYZUINYDKCV-LJQANCHMSA-N 437.548 1.793 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)NC(C)(C)C 1301484581 IUVUBDVSTVGVEP-UHFFFAOYSA-N 429.481 1.506 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1301613111 TUCDDJGZZYIEFR-INIZCTEOSA-N 429.612 1.767 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1302052820 PWIGPIHSJMCLHG-JXFKEZNVSA-N 434.541 1.414 30 10 IDEE CC(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1303081023 MLJJEJAIOPKLBQ-SFHVURJKSA-N 443.577 1.820 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1303543855 NOGKTGDQNFRMES-IBGZPJMESA-N 432.550 1.468 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1305266284 JWACQCZTILHJHW-FVGNFYTDSA-N 443.552 1.498 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccncc3C#N)CC2)cc1 1307368526 MKIDNQVIFAPVKY-UHFFFAOYSA-N 432.527 1.587 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCC(=O)Nc2ccc(I)cc2)C1 1312686329 RZMCZBMHZCFXCX-OAHLLOKOSA-N 440.285 1.627 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1315823165 DUJTWWUCQKWZBE-WBVHZDCISA-N 437.497 1.337 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)c2cn(CCO)nc2C2CCOCC2)cc(OC)c1OC 1328526614 XULMVXKJIAZKLA-QGZVFWFLSA-N 444.488 1.790 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1358975258 JJKBDMDRAULKTM-UHFFFAOYSA-N 447.561 1.536 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1358986194 PUHCHPPYZMINKQ-QHCPKHFHSA-N 440.548 1.746 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccccc2OC)CC1 1359034323 LSFAUWUNCZTOCO-SFHVURJKSA-N 433.516 1.966 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCCCC2)CC1 1359038409 VHVOJLCUJFAXIV-UHFFFAOYSA-N 438.580 1.298 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359303324 KCOFIWUTIDQBTA-SFHVURJKSA-N 447.561 1.215 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COC)C1 1359311070 PEXHWJFSFVNMIW-LJQANCHMSA-N 441.532 1.865 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359331392 XBIPPYONKXZDET-SJORKVTESA-N 435.550 1.489 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](COC(C)C)C1 1359331803 IKOAIMJVEJOWNI-MSOLQXFVSA-N 442.582 1.403 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCOc2ccc(S(N)(=O)=O)cc2F)c1 1460224827 IIYVBJRSXKCXHW-UHFFFAOYSA-N 448.476 1.113 30 10 IDEE C#CCC1(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CCOCC1 1462838351 GWWHEHFTSAIWIM-UHFFFAOYSA-N 429.336 1.758 30 10 IDEE N#Cc1ccc(Cl)c(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c1 1463038806 HSBVEIKKIFLDHM-UHFFFAOYSA-N 432.933 1.834 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)c1 1463750500 WPFQJSIZOBXDFU-UHFFFAOYSA-N 446.485 1.131 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCNC(=O)O2)CC1 1472171550 WFGZZSZNVRTFDV-MRXNPFEDSA-N 448.545 1.775 30 10 IDEE C[C@@H](CC(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1472209361 DXZBINDSHJNYQI-STQMWFEESA-N 438.506 1.171 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 1473615575 FCLCTDJVRZRCHJ-FXAWDEMLSA-N 426.517 1.739 30 10 IDEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)n1 1503660673 FAKTYKMVOPKIOO-UHFFFAOYSA-N 434.504 1.264 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1507621721 BUXPJWQNDZIIBH-ROUUACIJSA-N 435.594 1.821 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CSCCS2)CC1 1507716682 SUACLMIKHOITME-INIZCTEOSA-N 443.602 1.529 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1507731222 DDTHWZQOJFKGKN-MSOLQXFVSA-N 432.569 1.841 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507773718 VOTPWDVZJLXGPT-WZONZLPQSA-N 436.516 1.038 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1508090790 IQSUYPQBKFGIAL-QFIPXVFZSA-N 438.488 1.027 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1508092410 PPOQNQVDBWWZTL-AWEZNQCLSA-N 427.431 1.209 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1508094422 XUTBPPYFVYBERT-LJQANCHMSA-N 431.629 1.774 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1508148584 VARPJKZZXPYDAN-UHFFFAOYSA-N 444.565 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508149049 OBROSHLIEISBAD-UHFFFAOYSA-N 427.571 1.110 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1511691820 HIQDZAZNYXDDEY-INIZCTEOSA-N 439.524 1.258 30 10 IDEE C#CCOc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1533415008 ZYCLOLVWDVQTMT-UHFFFAOYSA-N 442.537 1.969 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539212826 TUZPMYKLEGRLPR-GOSISDBHSA-N 431.562 1.959 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539225895 SATZVAGZWYCCDF-AZUAARDMSA-N 442.589 1.375 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1539229489 DWUGDGKRMHSDLM-ZWKOTPCHSA-N 448.618 1.520 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1539231545 VZBFKVNMVPSHFF-IBGZPJMESA-N 430.578 1.957 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1539325913 PUNXXRRVASXNNO-GOSISDBHSA-N 435.594 1.900 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539506415 RWJMXHBYABEOPT-UHFFFAOYSA-N 436.607 1.510 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](C)C1 1539511194 UJOFBYRIXKBKCC-MRXNPFEDSA-N 446.577 1.529 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539621624 RVAXKNCPYZAMAK-VQTJNVASSA-N 444.580 1.508 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNS(C)(=O)=O)CC1 1539840471 UGLGDLJSFVHHGL-UHFFFAOYSA-N 443.537 1.017 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540867607 AXDIMTATAJVYMU-RTBURBONSA-N 427.505 1.640 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2nc(C)cc2C)C1 1540892020 CYVBXOWXFWIKBL-MOPGFXCFSA-N 448.593 1.865 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1540908224 DEVRUYCODKOYGJ-FQEVSTJZSA-N 449.508 1.908 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C 1545776290 BAYNBLKLZSRSTR-SUMWQHHRSA-N 438.492 1.600 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1552391324 CLIAXHIMSVUVRD-IBGZPJMESA-N 443.577 1.431 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)OC 1555247550 BRCODGHVBMHMSN-UYAOXDASSA-N 426.521 1.783 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCSCCCO)CCO1 1555994145 UVWRQCXONXVTAO-CQSZACIVSA-N 441.517 1.438 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1555995270 CUPKXMSAWSNLOC-MXLIYFDZSA-N 425.493 1.438 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1557383563 BFCXJZRCPXEXJG-TZIWHRDSSA-N 443.525 1.821 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)c(=O)nc1O 1564672656 DIPJJWMYAKSXDR-LSDHHAIUSA-N 430.262 1.705 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)C1CCOCC1 1565106837 YCAORCHDDZKUJM-RTBURBONSA-N 448.564 1.668 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OCC)c1cccc(C)c1C)c1cc[nH]n1 1567874564 DNKNMETYUCSOBQ-SFHVURJKSA-N 430.461 1.731 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1587555032 CIKBEFZGVLOAMX-VFNWGFHPSA-N 430.940 1.386 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1587562068 KUMOEIQFHKXHBO-SJORKVTESA-N 445.593 1.698 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1588140641 ZKKJKIRIFIFKKM-JKSUJKDBSA-N 441.504 1.119 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1588228383 FDMXJEHJVGLZGB-QGZVFWFLSA-N 430.505 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(F)c2)CC1 1588885262 UDYYXUFOJJFINV-UHFFFAOYSA-N 426.496 1.570 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1595522245 ABPRRVWFPFZAGV-UHFFFAOYSA-N 437.508 1.046 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595576970 DLRVBLKGELBDKD-VQIMIIECSA-N 440.504 1.271 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)cc1 1598415980 DULCIBDNXHIGGA-UHFFFAOYSA-N 427.482 1.522 30 10 IDEE CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1606575124 PDJBGNVYXMWWRG-QZQOTICOSA-N 443.552 1.308 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1617385826 FGKBUNJADSIDKW-MOPGFXCFSA-N 444.561 1.761 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@@H]1C 1619938568 AUMHUNAPIPMJED-FXAWDEMLSA-N 426.521 1.389 30 10 IDEE CSC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620185233 IXCHODYRMPIITF-OAHLLOKOSA-N 427.534 1.906 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(Cc3ccc(O)c(Cl)c3)CC2)CC1 1620513220 ZPVRONHRSFKUIS-HXUWFJFHSA-N 433.984 1.856 30 10 IDEE C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1626708358 LJXVGFLKLHTYBU-YJBOKZPZSA-N 431.537 1.902 30 10 IDEE C#C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCCC 1628627901 HGJFTVBTTTZJGD-QGZVFWFLSA-N 446.573 1.664 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 1632961403 ZCOMXGITZRDUCZ-UHFFFAOYSA-N 434.949 1.973 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(Br)cc(N3CCCC3)c2)c(=O)nc1O 1633550058 JRMGNSLAIBOLNC-UHFFFAOYSA-N 432.278 1.613 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCOCC1 1636512959 XIHLZZUXSJEPGY-YZVOILCLSA-N 441.550 1.093 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCNC(=O)OCc2ccccc2)C1 1639076768 CUIGCULGUUOFAX-IRXDYDNUSA-N 431.493 1.971 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1639148859 ZIXKSFMFVOXUKS-YRXWBPOGSA-N 448.564 1.972 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C1CCOCC1 1640925919 VKXQKKOESHDCFQ-GIVPXCGWSA-N 434.558 1.479 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)ccc1F 1650739892 SLPAJJPDQAWHMG-ZWKOTPCHSA-N 425.526 1.398 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1c1ccccc1 1659204742 CXWWEZSYAYNZRQ-RBUKOAKNSA-N 437.500 1.392 30 10 IDEE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1659361224 PZYFRLQVLDPVKZ-AZUAARDMSA-N 426.473 1.833 30 10 IDEE C#C[C@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 1662112830 LVLAARFKGABHGJ-IBGZPJMESA-N 430.457 1.732 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1663864425 TXCLLPKPKDBJNT-UHFFFAOYSA-N 445.872 1.133 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CC1 1670715989 SDMMBYHUAQRFGN-UHFFFAOYSA-N 438.460 1.076 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(N3CCN(C(C)=O)C3=O)c2C)CC1 1670792782 YVVLGHUSHHVQED-UHFFFAOYSA-N 425.489 1.777 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1689984021 JSXGGLKGQXLYRD-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689984395 OPTYJRDACLIHOL-HNNXBMFYSA-N 435.937 1.535 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689991096 VSUDXONSURPIOT-NSHGMRRFSA-N 449.621 1.672 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1690019248 DRPCSIHZVWLPOV-HXUWFJFHSA-N 437.569 1.684 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC(C)C 1690063472 FBUDAPROQIZCNW-UHFFFAOYSA-N 432.550 1.180 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1690207863 OUYDVDOGPKOZAF-OAQYLSRUSA-N 446.548 1.940 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1690659668 ZNXMTAJFXYNLNJ-SJKOYZFVSA-N 429.352 1.739 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)CN2CCOCC2)n1 1693425237 ADCBFMKEDPFPRD-IERDGZPVSA-N 430.532 1.550 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C(C)C 1696902215 CBBDVAJLOWFAOT-MRXNPFEDSA-N 425.537 1.797 30 10 IDEE 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C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705807893 REAMDPHENLHUBN-OAHLLOKOSA-N 444.486 1.650 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705828101 BPCLWLNWWDKWCI-OAQYLSRUSA-N 442.612 1.876 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1706171288 JLKYSJSSOXAGNA-QGZVFWFLSA-N 427.509 1.907 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)C[C@H]1O 1711459649 CIJOPKQBTYQKQV-JBYIUTFZSA-N 427.505 1.584 30 10 IDEE CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1711559208 ABZCSXUVEKTTBF-DLBZAZTESA-N 425.493 1.435 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722339315 YXBVINHMQMKZCA-IBGZPJMESA-N 444.547 1.930 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722386944 CEOBXDFPLDFGCX-SFHVURJKSA-N 449.563 1.380 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1722461425 OJYYPFQSQLBTRR-SJORKVTESA-N 441.623 1.460 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722697312 ZOQHDHZPVZYFAT-KRWDZBQOSA-N 431.562 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722729071 DUDOQBCARLRLSN-IBGZPJMESA-N 441.561 1.041 30 10 IDEE CCc1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1727495276 JZRSCCBUGKYROI-FMQUCBEESA-N 429.525 1.250 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(CO)c1 1730869362 NKNQIWOHFCHLBB-LAUBAEHRSA-N 440.548 1.719 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1740626235 KKUUNTVRSCFXJC-HOTGVXAUSA-N 447.561 1.743 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1740672240 ZPLDIPGELBGXLL-HZPDHXFCSA-N 439.582 1.943 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740744842 GQHHMCWFDDKMTR-CJNGLKHVSA-N 425.375 1.738 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@H]1CCCO1 1740752270 VCOFVTRWMQHWKZ-MLHJIOFPSA-N 441.598 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1740762842 WFKJBAOBIFNTJG-KURKYZTESA-N 439.582 1.438 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740800716 HSBICTSIGIAZOO-WMLDXEAASA-N 437.976 1.158 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740868596 OCDNSPNTLHUYKM-HNNXBMFYSA-N 426.587 1.549 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740953216 YSURVYIVCDUJDU-OPOADAIRSA-N 437.541 1.077 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@H](C)C1 1740959643 BIUAGZLTADYHKT-NVXWUHKLSA-N 445.545 1.270 30 10 IDEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCOC1(C)C 1743376166 PWAIDHSZSHKHCW-INIZCTEOSA-N 447.561 1.882 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)cn1 1748014936 SNOZDKAPSHMDPS-MJWGMMHASA-N 438.536 1.829 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748818033 UVFXHRUYCXZING-OALUTQOASA-N 429.546 1.437 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NC1CCCCC1 1748829792 JYOLRZDJWZRVSP-QHCPKHFHSA-N 427.549 1.842 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1748863655 CBOHBVFGPYBTSV-DLBZAZTESA-N 448.618 1.716 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccco2)CC1 1749009281 HHTJSQNUQJAEHU-VGOFRKELSA-N 427.505 1.249 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1749367449 WBZAZWRFWOBSSO-INIZCTEOSA-N 439.582 1.078 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1749687230 OMDONAZOFWUVKR-QFIPXVFZSA-N 426.521 1.731 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1749820208 ZYENCSLANYFWPO-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@]2(O)CCSC2)cc1 1750382410 FKZVUVODPLDCSI-OAQYLSRUSA-N 426.546 1.777 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N1CCOCC1 1760104744 FGSDHOSKMFFSAX-MRXNPFEDSA-N 427.505 1.669 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1760154802 JCRZAZOQCVQQIH-LJQANCHMSA-N 425.489 1.499 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1760210303 QBCSTXGSCMHRLO-QFBILLFUSA-N 447.536 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1760219674 KRWUXBKXZKIFFC-VQTJNVASSA-N 431.606 1.908 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CCOC)CC1 1760254855 NGIHUMPTCPIRSM-DEOSSOPVSA-N 449.559 1.878 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760436790 ZGLYBBWYWUTGBX-UHFFFAOYSA-N 426.569 1.779 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1760501528 SXSSIXUSYUTMLL-KRWDZBQOSA-N 444.561 1.985 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760523251 RBAQAYJISHBBGI-HOCLYGCPSA-N 442.524 1.387 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1C(C)(C)C 1760528862 OTHPCAWZKDQCHM-UHFFFAOYSA-N 426.521 1.546 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1760695305 FOPVBYAACOWPJP-DOTOQJQBSA-N 440.533 1.405 30 10 IDEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1761323142 CHUNVYJVQOHCNB-UHFFFAOYSA-N 435.536 1.541 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1761358594 AKIVRTSOTVZADK-OAHLLOKOSA-N 427.534 1.912 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)c1C#N 1762399791 CGHVVCIGEDVBAR-UHFFFAOYSA-N 445.531 1.828 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H](C2CC2)O1 1763081483 HTINPWHMEOWLKS-DNVCBOLYSA-N 444.561 1.760 30 10 IDEE CCCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1764201725 PLDXUKWYNQMGJC-IBGZPJMESA-N 429.569 1.897 30 10 IDEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1765231243 AWIYJIVCVWCBMJ-LJQANCHMSA-N 428.562 1.924 30 10 IDEE CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766717231 POTGFDBWCGIZAR-UHFFFAOYSA-N 431.522 1.020 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCC(C)C)CCO1 1769240221 DSOIJYDSPZNIPA-LJQANCHMSA-N 426.521 1.831 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1=O 1769899868 GQJOSFHHDOGYBL-HXOBKFHXSA-N 438.532 1.663 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)OC 1771297222 XYBBCCFZFXPJEQ-GLJUWKHASA-N 428.493 1.572 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1772660189 IRHMPRCFRGASMV-HIFRSBDPSA-N 425.942 1.801 30 10 IDEE COc1cccc(C#CCNC(=O)CCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 1850185125 PHHRGJXNLGDXIW-LJQANCHMSA-N 429.542 1.969 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2CC3(COC3)C2)cc1 1851580216 WMRUECPUTDJMNX-FQEVSTJZSA-N 441.509 1.315 30 10 IDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CCCN(C4CCSCC4)CC3)C2=O)ccn1 1855104610 PUHBGJCDCRMARJ-FQEVSTJZSA-N 427.574 1.988 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1 1856412583 TUUSTDVVOSLRLF-QAPCUYQASA-N 436.509 1.342 30 10 IDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1861174628 BIAWOPKHADWWOB-FQEVSTJZSA-N 428.577 1.859 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868595226 HJMMHAPWGPUOPF-HXUWFJFHSA-N 448.589 1.332 30 10 IDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN(CCO)Cc2ccccc2)cc1=O 1870559159 SVKMDWUTDRNGFZ-UHFFFAOYSA-N 437.540 1.867 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618886 OGFBUPRQWAHLIE-UHFFFAOYSA-N 431.548 1.845 30 10 IDEE N#Cc1cc(C(=O)N2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)ccn1 1890177061 FMLYUGOQOLDQGO-UHFFFAOYSA-N 425.456 1.805 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1902576779 OTOZVLDSJLWQRD-OAHLLOKOSA-N 426.514 1.577 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2243388917 FFTFCPWWWYBBEP-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2243419430 YYMKFDXGWYRWHK-IYBDPMFKSA-N 440.309 1.896 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406071 VPKAXTAJFZOFJE-NEPJUHHUSA-N 438.359 1.891 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255622571 BJYCBXFHRGSITA-UONOGXRCSA-N 434.346 1.847 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255629487 WMWREGOYOZETOG-HDJSIYSDSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255647691 CFONIWKWVNFPOB-CQSZACIVSA-N 436.314 1.945 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2255674818 QAPQPRMXEQDSHN-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255874170 KBFYICQYZBFUSR-ZDUSSCGKSA-N 435.334 1.196 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256613910 KLRYFKRUQJRQQQ-YOEHRIQHSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098123 WEVBJYAWLJXPOY-ZGKBOVNRSA-N 448.329 1.119 30 10 IDEE Cc1cnc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267114066 CTZUVOMAMUMKSB-UHFFFAOYSA-N 447.341 1.713 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267479833 QTEQZLNYIZGIEC-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE Cn1nc(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2267541792 ITRPSSSJLJZCBE-RCDICMHDSA-N 446.357 1.849 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2269838997 NPPSSNCYLKHAPU-HNNXBMFYSA-N 449.357 1.729 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)n1 2334272498 RMHRCLRDOHRAAW-MELADBBJSA-N 447.345 1.242 30 10 IDEE CS(=O)(=O)C1(C#C[C@@]2(OCC(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)CCC1 2367787409 LNNGUKXUILQPFQ-UWJYYQICSA-N 435.498 1.886 30 10 IDEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1c(F)cccc1F 20292376 ZDKHTTZOCQHHQK-QPSGOUHRSA-N 435.416 1.858 30 10 IDEE CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)s1 20424156 NYIQOZZAWIOXSL-PJQLUOCWSA-N 438.568 1.987 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc(C#N)cc2)CC1 56936182 QNDSKIISQSSQCQ-LJQANCHMSA-N 427.530 1.694 30 10 IDEE CCCCCCCC(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC[C@@H]1CCCO1 100170767 KAXQTJFSAHWZGU-HOTGVXAUSA-N 427.567 1.661 30 10 IDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CCCOc2ccc(C#N)cc2OC)C1 110253812 OPWQXQLPRYGONX-GOSISDBHSA-N 445.516 1.986 30 10 IDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 438743849 KAZFFCLFQGFWIP-OALUTQOASA-N 444.557 1.999 30 10 IDEE CCO[C@H]1C[C@](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)(C(=O)OC)C1(C)C 444560206 CVNNAYOIZQTQEY-JXFKEZNVSA-N 437.518 1.355 30 10 IDEE C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)NCc1cnn(-c2ccccc2)c1 447379015 FVSXHEZHTBWFTL-UHFFFAOYSA-N 426.502 1.617 30 10 IDEE Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503627396 URQSALDEAQXUPN-UHFFFAOYSA-N 440.525 1.672 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 514493595 JASXIPIJPKFSIK-LJQANCHMSA-N 438.509 1.192 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCO2)CC1 514878651 VETFXCOKBKIXHF-IRXDYDNUSA-N 425.555 1.337 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)CC1 522287732 DGWXHLZAGFDTKC-UHFFFAOYSA-N 432.912 1.562 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCOCC 527279918 XVUWVCIMHDFFHC-UHFFFAOYSA-N 431.533 1.677 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(C(N)=O)cc2)c1=O 532800238 FOCRMPWYQUFBSP-UHFFFAOYSA-N 447.520 1.087 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 533689078 BBUISYZTPSTOMS-QGZVFWFLSA-N 445.491 1.492 30 10 IDEE CCc1ccccc1-n1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)cc(C)n2)c1=O 537393692 FRLSZXFAVHUUAM-UHFFFAOYSA-N 434.521 1.423 30 10 IDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)cn2)c1 610480010 CMSHMSAUECHZNI-IBGZPJMESA-N 449.467 1.580 30 10 IDEE N#Cc1c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)sc2c1CCNC2 703978373 OACVMUIIHZJYPF-UHFFFAOYSA-N 430.511 1.693 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC(F)(F)F)C1=O 730143984 GMUSSEZYXXTZTC-BJJKHMRRSA-N 431.484 1.554 30 10 IDEE CCN(CC)CCOc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OC 732707189 VLVOOPXEVPGYAR-LJQANCHMSA-N 443.548 1.553 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1 734602212 BBZZJKSEEFHTHO-UHFFFAOYSA-N 425.420 1.032 30 10 IDEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCN(c2ccccc2)CC1 741339243 DAELAKGTDHODFZ-BZROSYFNSA-N 426.473 1.183 30 10 IDEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 750438411 GEAGEZVSCUZSEK-UHFFFAOYSA-N 443.451 1.916 30 10 IDEE C[C@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754772320 CECNJTPLAIBEFX-NSHDSACASA-N 436.287 1.944 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)ccc1F 767143706 DIANRALMEGTXBM-INIZCTEOSA-N 435.525 1.731 30 10 IDEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 769386993 DBLAORSQPWWZEH-UHFFFAOYSA-N 443.454 1.861 30 10 IDEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)N(C)CC)c1 774282519 VURHNXJLHIUFPR-GOSISDBHSA-N 447.605 1.727 30 10 IDEE COC(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1C1CC1 779971892 JMBGOASAFPLMPT-UHFFFAOYSA-N 428.470 1.101 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCOC3)c2=O)cn1 781662070 VCCVOEFMOIRAOQ-INIZCTEOSA-N 440.569 1.815 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCC2CS(=O)(=O)C2)c1 786842577 JIWDIBDKNYIMEB-SILNSSARSA-N 428.536 1.056 30 10 IDEE C[C@@H](C(=O)OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)n1cnc(C#N)n1 798744352 SATQVYCWEANPSS-WMLDXEAASA-N 430.896 1.861 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 808113303 DJCFBXNSJFUSQS-AWEZNQCLSA-N 431.470 1.667 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC(C)(C)c2nocc2C(=O)OC)ccc1F 808266646 LEJZUFXGRBSFHU-UHFFFAOYSA-N 425.438 1.730 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2c3c(nn2C)CCCC3)C1=O 812221772 DRPBEOAKNZMYQI-KRWDZBQOSA-N 442.545 1.970 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NCc2ccc(S(N)(=O)=O)cc2F)cc1 863999493 FCSXAFNZYWTOGX-PYCFMQQDSA-N 440.522 1.898 30 10 IDEE COc1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1C#N 1132759796 GGEASOXAUZHITB-JLTOFOAXSA-N 435.502 1.787 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc[nH]n1 1136473459 OFOPBZRBZIDOPU-GOSISDBHSA-N 441.488 1.043 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1142667419 IOGINSHTKKFKCM-XIRDDKMYSA-N 434.518 1.394 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 1184235403 KWFIHMOTMKLHMJ-IAGOWNOFSA-N 434.518 1.066 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@H]32)n(Cc2ccccc2)c1C 1197203059 QWUQORIRUUAJSD-IRLDBZIGSA-N 435.528 1.943 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC2(CC1)CO[C@H](CNC(=O)OC(C)(C)C)C2 1230746589 OKFOZOMRZKTEJJ-INIZCTEOSA-N 445.582 1.693 30 10 IDEE CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1COCC12OCCO2 1251791606 CZROTXWDEAWKGI-IBGZPJMESA-N 432.496 1.945 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1conc1COC 1286289028 JQRIDHHMNJIWCW-AWEZNQCLSA-N 433.472 1.833 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1286361124 LLMSJXNXWTUOKJ-UONOGXRCSA-N 428.559 1.261 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286370100 ZQQKQVQOMFNEFW-IYBDPMFKSA-N 428.537 1.963 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286388792 BUDOIFLKTOYGDE-CABCVRRESA-N 436.488 1.797 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCC1 1286409052 NWIBLYUBZCXGIU-UHFFFAOYSA-N 426.546 1.616 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCCN2CCCCC2)CC1 1286483646 RYOLBEADQFJXOR-UHFFFAOYSA-N 441.624 1.812 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCNC(C)=O)CC1 1286491111 FSEGIDUQEWNMQV-UHFFFAOYSA-N 436.560 1.669 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286548754 ZEKCZFDVAMIRAF-MSOLQXFVSA-N 442.358 1.929 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@@H]2C)CC1 1286646219 NPKPCCLQDBAMCE-ROUUACIJSA-N 438.598 1.252 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC2(CC2)c2ccccc21 1286781378 XMTXBEWZKKVKDJ-CQSZACIVSA-N 430.534 1.374 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1286786326 QYDRSWRZVMRMKU-UGSOOPFHSA-N 444.458 1.061 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCSC2(CCOCC2)C1 1286789573 FSMBHDRHZVDGCK-UHFFFAOYSA-N 445.593 1.544 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1288672669 AOVOWNFNJAQBAI-VGOFRKELSA-N 439.495 1.891 30 10 IDEE Cc1nc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)sc1C 1289138460 HBWOSUACRHMOIM-HNNXBMFYSA-N 438.517 1.970 30 10 IDEE N#Cc1cccc(OC2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)c1 1293143447 WJBXDXYQJSAVPI-UHFFFAOYSA-N 425.470 1.537 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)CCN2C1=O 1295890729 PTLAKXHMXFHBMM-GOSISDBHSA-N 437.504 1.714 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(=O)N2CCOCC2)c1 1300334531 OQQJHXHYYNGCAX-UHFFFAOYSA-N 436.516 1.146 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300391975 JDAGDTWOSPALIW-AWEZNQCLSA-N 447.326 1.812 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1300602818 JYPVTDRYQOOHDB-UHFFFAOYSA-N 431.566 1.484 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1300631032 KQZYCHRTVTWKBH-SFHVURJKSA-N 433.534 1.580 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301509025 ZKYTUPYXRYJEPA-HZPDHXFCSA-N 429.550 1.183 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301613173 VJBHCZJHPSCJGH-HOTGVXAUSA-N 446.581 1.971 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301959012 JWJICPAETXYHKI-JFIYKMOQSA-N 446.581 1.479 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301959016 JWJICPAETXYHKI-NUJGCVRESA-N 446.581 1.479 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 1303353347 DZWDJYWNIRCRCL-UHFFFAOYSA-N 444.561 1.749 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)C2)c(=O)nc1O 1305589087 CJUSQADZLARNMM-AWEZNQCLSA-N 441.875 1.410 30 10 IDEE CCCN(C)C[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1306783767 OYXBMJLERBPXFK-YGCDDZCOSA-N 427.553 1.850 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)Nc3cnc(OC)c(C#N)c3)CC2)cc1OC 1311194529 FIUOIYAASFPNKI-UHFFFAOYSA-N 425.445 1.969 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1313547176 FCBYOIXGVQVZMD-UHFFFAOYSA-N 437.548 1.990 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1315163900 CCCVMIOVMOCHCG-IERDGZPVSA-N 445.545 1.779 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1316250925 GOOYFPHQLJLNHT-LJQANCHMSA-N 441.532 1.848 30 10 IDEE N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCO)CCO1 1316540016 SPQLSWNASAASSS-GOSISDBHSA-N 426.525 1.343 30 10 IDEE Cc1ccc(C(=O)N2CCC(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1338908692 HHLJKZFEPPRNCA-FMQUCBEESA-N 425.489 1.425 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358918791 HQIFPIAYLNLABL-UHFFFAOYSA-N 445.568 1.184 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358962555 RWVFWSRKMINLAF-SQNIBIBYSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCOC1 1358978635 QTXWJGBSLOZSHN-HSZRJFAPSA-N 443.548 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1358994093 DYMRYNYMFSGNCA-FQEVSTJZSA-N 441.557 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCOC[C@H]2OC)CC1 1359042554 LFECCETVSPFNLO-UYAOXDASSA-N 441.532 1.864 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359048324 MKDHDEVUFLUPPT-UHFFFAOYSA-N 431.484 1.774 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359215652 GYPIAVNEEQHBKA-BZSNNMDCSA-N 439.582 1.440 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359221629 IKJBFRXMWKPQPH-VGOFRKELSA-N 442.520 1.902 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1359232532 XBTVFSFAYGGHFL-LEWJYISDSA-N 437.610 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359326995 PBMMPXUIULFYNX-ZWKOTPCHSA-N 425.599 1.549 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1359570470 DKFNRGLTRCSSBO-XOBRGWDASA-N 435.504 1.976 30 10 IDEE C[C@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1360835702 VULYLCAHYOHQLD-DYVFJYSZSA-N 437.298 1.570 30 10 IDEE C=CCn1cc(CNC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)nn1 1436932812 SXBTXEQOXARJSI-GFCCVEGCSA-N 427.324 1.953 30 10 IDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)NC(=O)Cn1cnnn1 1442970667 AGMNJDADAJPANH-NSHDSACASA-N 425.262 1.294 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)NCC2CCN(CC#N)CC2)CC1 1444005396 VSYWDMPGXYBZLC-UHFFFAOYSA-N 431.541 1.815 30 10 IDEE COc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)cc1OC 1457212162 HXWGKTSHIHOOCI-HXUWFJFHSA-N 445.497 1.454 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1c(Cl)cccc1-n1ccnc1)c1cc[nH]n1 1468367911 RKIUOLAFYSZPTG-UHFFFAOYSA-N 430.852 1.849 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 1471451150 ONUJTFSNISQYEW-UHFFFAOYSA-N 430.530 1.328 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)CSc2ccccc2OC)CC1 1477829209 AKHJBRYTWAGCHT-MRXNPFEDSA-N 440.591 1.218 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(C)c2Br)CC1 1478446081 PZGAWKCNABCJEK-UHFFFAOYSA-N 429.340 1.052 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1505145957 CEYPFJWXBZFBGB-INIZCTEOSA-N 438.941 1.190 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@@](C)=O)CCC2)CC1 1507732702 JQDGHPHOBHUDLQ-FGRKSUEESA-N 435.594 1.059 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC=C(C)C)CC1 1507739499 QLRKLCXHEMWRNV-SFHVURJKSA-N 433.578 1.502 30 10 IDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507833100 WPOFHOGNVQEERP-UHFFFAOYSA-N 436.520 1.897 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1507983601 QWCSHNOAKLHUIY-FGTMMUONSA-N 441.598 1.684 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1513978867 IXFWLUNJYYFKLV-GCJKJVERSA-N 440.504 1.249 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3csc(C#N)c3)CC2)cc1 1531666687 VHBXEPFMZMNRHU-UHFFFAOYSA-N 434.543 1.510 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1539101898 MBQALTWAZBCPOJ-IAGOWNOFSA-N 430.486 1.876 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1539131974 ASBMCCBORFCODC-SFTDATJTSA-N 441.624 1.809 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1539204145 ZERBPKFGTZEERS-KRWDZBQOSA-N 444.561 1.988 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCN1CC 1539250757 SPLROBPMCUAJER-OAQYLSRUSA-N 429.532 1.868 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1539454067 VSXHYUOWJXZKSX-UHFFFAOYSA-N 445.564 1.588 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2nccnc2C)CC1 1539461905 MKXRXDYTRQZWBU-UHFFFAOYSA-N 447.543 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(C(=O)NCC)CCC2)CC1 1539476344 WKVUFNWDYHTJNU-UHFFFAOYSA-N 449.559 1.612 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1539518164 WFQXISNDWXCOFA-OAHLLOKOSA-N 434.591 1.449 30 10 IDEE C#CCSCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1539530761 MVWCMYCXZHQQOO-VXKWHMMOSA-N 449.621 1.598 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539751957 YBWJNXHZZHTJLO-MSOLQXFVSA-N 446.552 1.879 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540857587 GSWPUUZIGYQMHS-SFHVURJKSA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)NC)CC1 1540873512 APAORTSVKHOHQY-UHFFFAOYSA-N 435.532 1.546 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1540884452 PJNCBIVKGDLQQW-VQQMMKBISA-N 436.553 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccco2)C1 1540902137 BJBUPYRZIOLREH-FUHWJXTLSA-N 436.534 1.944 30 10 IDEE CS(=O)(=O)NCCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1555819653 SVJDEYMZVBTEIT-QGZVFWFLSA-N 430.534 1.026 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(I)c2N)n1 1556461394 ZXISDYLONTWBSG-UHFFFAOYSA-N 438.269 1.992 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 1556897832 SNFYDHANOLIJKQ-CYBMUJFWSA-N 443.522 1.057 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)sc2C1 1557600752 AGFVTXSMGVOZQO-UHFFFAOYSA-N 445.501 1.605 30 10 IDEE N#Cc1cnccc1SCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1559438306 UAIXUKNKMBPHNK-UHFFFAOYSA-N 447.498 1.487 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC/C=C/c3ccc(Br)cc3)C2)c(=O)nc1O 1564813457 BVSHOMWIUBWRMA-OWOJBTEDSA-N 430.262 1.863 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1564890876 GEOHPPVNHXYXDB-QGZVFWFLSA-N 430.509 1.421 30 10 IDEE Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2=O 1566231606 RCDWBJXVDBMKPD-HUUCEWRRSA-N 426.473 1.951 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1587554924 AMXBUCWDJUNHQX-MSOLQXFVSA-N 425.537 1.740 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1587668001 QFGGNRISGCTHBI-INIZCTEOSA-N 428.518 1.222 30 10 IDEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1587854171 MSEBHPRNYIXPRT-MRXNPFEDSA-N 432.424 1.162 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1588049828 LSFJXZNEGRDMSL-AZUAARDMSA-N 442.589 1.699 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1588800252 BQPBNGLDPLOIOW-UHFFFAOYSA-N 449.506 1.265 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1593775706 CLLRSYOKOROULC-HXUWFJFHSA-N 446.596 1.857 30 10 IDEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594504615 YPCIWXHOCMOCPF-GOSISDBHSA-N 440.523 1.757 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1595496885 JSEOJJLKZTWYDO-UHFFFAOYSA-N 440.504 1.076 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCCN(CC)C(=O)C1 1595516536 GHCNUEAESZPHNG-UHFFFAOYSA-N 433.516 1.854 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)c1 1606642080 NLTQJLMPALKPEN-UHFFFAOYSA-N 429.429 1.651 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCCNS(C)(=O)=O)C1 1611767500 OAEGGQASGYRAEI-IBGZPJMESA-N 449.537 1.075 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 1612469633 CUZDMLDDTIQCLP-CQSZACIVSA-N 443.556 1.740 30 10 IDEE CO[C@@H]1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)N(C(=O)OCc2ccccc2)C1 1616348347 XTXXGTRPNUMXOK-GFGLJSBJSA-N 442.472 1.055 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OC)C1 1617369124 JNOZJLWWMLRUIU-SFHVURJKSA-N 432.550 1.761 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1618866079 DQCQJGPNUPNGHP-LJQANCHMSA-N 438.532 1.663 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)c1 1621611083 IDAZTVFEMJBSAQ-UHFFFAOYSA-N 449.576 1.111 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1624534721 XLRLSLCAUAKIPD-GOSISDBHSA-N 442.541 1.051 30 10 IDEE N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(I)c1 1626249821 NXFWGLUTNFABMA-UHFFFAOYSA-N 438.225 1.966 30 10 IDEE CC(C)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1COCC12OCCO2 1629675199 PTXMDCGYJBDABK-MRXNPFEDSA-N 426.466 1.268 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c1 1634259838 IUKXLABYKWHZHU-YZGWKJHDSA-N 444.557 1.291 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1634998508 HRFWCAPJBOMVMW-PMERELPUSA-N 439.578 1.123 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)s1 1636024554 SFHKGMQCEWTRJF-CYBMUJFWSA-N 441.497 1.134 30 10 IDEE C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1=O 1636223963 IYUUHXQYSXAFPI-GUYCJALGSA-N 427.436 1.218 30 10 IDEE N#CCCN1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1648963187 OUSTWYBMWWGVMB-UHFFFAOYSA-N 433.306 1.883 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)NCC2CC2)ccc1Br 1653466997 DBWBMPKWKDBDIE-AWEZNQCLSA-N 430.349 1.911 30 10 IDEE C#CCN(CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC)CC(=O)OC(C)(C)C 1654151066 BACKVDIGMWNTIG-UHFFFAOYSA-N 443.587 1.921 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)cc1 1654473707 OLUFFGWJUKTMJX-UHFFFAOYSA-N 427.523 1.110 30 10 IDEE C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656344615 WTXZGCPNKTXPBW-ZRGWGRIASA-N 425.938 1.436 30 10 IDEE C#CCN(C(=O)NC1CCN(CC(=O)NC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1675543952 HVGBMCBICJIKOS-UHFFFAOYSA-N 435.569 1.241 30 10 IDEE C#CCC1(O)CCN(C(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 1678732099 GASNLYVLFDYVBW-UHFFFAOYSA-N 427.592 1.881 30 10 IDEE C#CCN(c1nnc(C)n1CC1(N2CCSCC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689980374 QMOOPGACDDJBJK-GOSISDBHSA-N 437.635 1.575 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1689986319 NGDCSPKPSXJXAA-LJQANCHMSA-N 439.545 1.333 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(F)cc(OC)c2)CC1 1690112224 RRGNEXSDBJQHSZ-QGZVFWFLSA-N 431.512 1.953 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCCc2ccccc2)CC1 1690128910 LYVPUUBZMFAFKS-UHFFFAOYSA-N 443.555 1.378 30 10 IDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCOCC1 1690592966 OHIRFSCACARJEU-UHFFFAOYSA-N 428.493 1.466 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C#N 1690660771 OEBZEABCIIRZPV-AWEZNQCLSA-N 444.565 1.445 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(N)=O)C1 1690685084 VDCFNJMGNOCRCV-BJLQDIEVSA-N 441.532 1.927 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1696618411 CEGLBBNQRSRDRX-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)[C@H](C)CC#N)CC1=O 1698078551 HEPFOMSPXLIOGC-ZBFHGGJFSA-N 431.566 1.867 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1698213923 CDAVEUDYOYAGJB-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE N#Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)(=O)CC2)o1 1698487854 CGWUHOCZBGCPQC-UHFFFAOYSA-N 446.514 1.017 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705566184 LYAGFXPEYOZBFA-DLBZAZTESA-N 433.534 1.096 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1705566603 PLSKXDYQLLRWOZ-MOPGFXCFSA-N 435.594 1.139 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1705581379 ACDFLBTZSVEFRX-QGZVFWFLSA-N 428.537 1.554 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1705590189 DUYMDUGLHWIFFF-JOCHJYFZSA-N 431.537 1.918 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC[C@@H]1CCOC1 1705668346 JMVSQTRHIHMICS-FUHIMQAGSA-N 439.582 1.324 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705786402 NDOJIKAQXMCRLE-HZPDHXFCSA-N 440.614 1.986 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1705843210 ABAGALQTMFBDDE-IBGZPJMESA-N 448.593 1.760 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705903237 RPYSMCOPJNGZHN-IAGOWNOFSA-N 432.569 1.953 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1706019786 DVWMUUQSFUJANW-LJQANCHMSA-N 447.499 1.945 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1709850670 WSDSZDFGVGDUQL-MJGOQNOKSA-N 437.548 1.928 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H]3CCN(C(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710433042 VCHLGTBONANDFA-VGOFRKELSA-N 442.520 1.748 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1711350877 JVAJELFVGNOLQL-QOCHGBHMSA-N 449.515 1.434 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCSC1 1712454082 HODPLSDPPYWYFC-JKSUJKDBSA-N 427.596 1.690 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1722295523 WXKGGIWFUDTMMH-HNNXBMFYSA-N 435.488 1.492 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1722330843 YEEHPZHWQMDFPW-UHFFFAOYSA-N 435.488 1.494 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(C)COCCO2)CC1 1722448794 IEJAHNMFNNLVDW-QHCPKHFHSA-N 438.532 1.035 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722550157 FZIRRDBFBLNHSG-INIZCTEOSA-N 446.943 1.362 30 10 IDEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722599307 GOWYGNUBQTVNRI-GOSISDBHSA-N 432.569 1.655 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1722671789 CBPVQWROQQQUCH-LSDHHAIUSA-N 447.508 1.214 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1722868671 CVIGCFFFMYQEHJ-OAHLLOKOSA-N 428.518 1.902 30 10 IDEE Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726392850 AHIAKMOJPUDZTA-HEWTWTGNSA-N 445.524 1.606 30 10 IDEE CCC[C@H]1CN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1CCOC 1727983861 LOAXMUGUDZLLEP-SKQREZPOSA-N 431.541 1.050 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1729791249 FGUABFNHWKSDRY-MOPGFXCFSA-N 440.504 1.757 30 10 IDEE C#CCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1740596544 HTKQFEJNMZNELK-QHCPKHFHSA-N 435.532 1.937 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1740622174 AHBQXYFNAKYYLC-HKUYNNGSSA-N 433.578 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1740706466 UNXUHRSWLGIPGB-ZCNNSNEGSA-N 429.565 1.953 30 10 IDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1740905726 GEIWBHRZJBFTDX-JOCHJYFZSA-N 432.569 1.249 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1740961900 LTFDLQZZIRSNBU-QHCPKHFHSA-N 436.491 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1C(=O)N1CCCC1 1740995754 WOXVUCCMRNAKMK-UHFFFAOYSA-N 447.565 1.855 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1740995981 CRIAEKSKZFLWRF-HNNXBMFYSA-N 429.612 1.814 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1S(=O)(=O)N(C)C 1741123555 FSPPUUJHIGPBNP-HNNXBMFYSA-N 447.565 1.311 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1741123795 AZKVLBIYDRTFDJ-XXBNENTESA-N 447.628 1.941 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(F)F)CCOC1 1741733563 XIPVZLIIIDUDAK-HNAYVOBHSA-N 429.468 1.719 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1741982752 XTYWOZFUXXZPKO-IRXDYDNUSA-N 432.500 1.864 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743758807 ZXRLGIATXMEJRO-AOMYARPXSA-N 427.509 1.129 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748649505 OTCZBNPYYBGTSN-HZPDHXFCSA-N 447.561 1.702 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCc1ccco1 1748650610 AWNQMXMACLVLCV-OAHLLOKOSA-N 441.513 1.716 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[S@](=O)CC)c1 1748692212 DTHGAQWOFFCEEF-WJOKGBTCSA-N 437.529 1.560 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1748819960 VSFFBYUAEXKJRM-IBGZPJMESA-N 434.537 1.797 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748839529 XGMJFFXZBQMFNO-PKOBYXMFSA-N 426.546 1.550 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1748869170 WXPYOAWDUCAHOL-IBGZPJMESA-N 427.471 1.887 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1748925675 LLJKQBXRUGFNHE-GOSISDBHSA-N 435.594 1.285 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)N(C)CC)CC1 1749011206 YXPXTVKMTXOIFC-UHFFFAOYSA-N 438.532 1.398 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749115557 SLMBXUDHXGWXJJ-DHSIGJKJSA-N 440.342 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749655285 GWAIGBVDBZGJPF-OALUTQOASA-N 427.505 1.640 30 10 IDEE CS(=O)(=O)CCOCCn1c(CCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1750207804 WPTPBFRFTAWOEE-HXUWFJFHSA-N 435.525 1.566 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1760138243 USPYZQXCZFYPRD-SJORKVTESA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1760162556 ASEWLMOKAVQRHH-AWEZNQCLSA-N 431.497 1.331 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1760190331 ZSRCHBKPDNODKQ-LJQANCHMSA-N 448.637 1.198 30 10 IDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760192853 YNBGDDMOJQAIGZ-SFHVURJKSA-N 446.573 1.817 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1-c1ccccc1 1760243562 OGIKRLRKGSVCNT-UHFFFAOYSA-N 434.504 1.229 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1760249539 NKOQPDYUNCGFJP-QGZVFWFLSA-N 441.598 1.523 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1760469007 QQDYXJBDDPZNJF-UHFFFAOYSA-N 434.541 1.865 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760517932 CIAGZWMTPCFEEU-QGZVFWFLSA-N 438.532 1.751 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760677087 IWEDZIMSOQBOCM-LJQANCHMSA-N 435.532 1.838 30 10 IDEE CC1=CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762154304 PKOXHJGIHVZKHJ-HTXNQAPBSA-N 425.493 1.197 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763045982 NFARZGBOQZSYSU-DXQAYGFFSA-N 443.552 1.815 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1772566600 KJEVQEDODYRTGW-ULQDDVLXSA-N 445.568 1.053 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)[C@H](C)C2=O)CC1=O 1856358862 KDJYPVBXUCHEEL-WBVHZDCISA-N 433.530 1.032 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)CCCc2ccccc2)C1 1858328768 PXGCVTGHTOMISX-LJQANCHMSA-N 433.555 1.873 30 10 IDEE CCS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 1858448738 OJYJMJQNJRIYLR-UHFFFAOYSA-N 435.531 1.226 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(NC(C)=O)cc2)c(OC)c1 1870098409 CIMABQUSRYWWAF-UHFFFAOYSA-N 442.457 1.915 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(Br)o3)cc2C1=O 1870159036 BXJMBFZNVSMTKM-UHFFFAOYSA-N 441.201 1.973 30 10 IDEE N#Cc1cc(I)c([C@H](O)C(=O)O)c(I)c1 2060283925 SQPOQXLXCFKTCW-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060634842 DWUNNBAWOMGWDS-UHFFFAOYSA-N 434.302 1.350 30 10 IDEE C#CCNC(=O)CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237394485 ILGQOSPVPHLQDE-HNNXBMFYSA-N 438.322 1.751 30 10 IDEE CCN(CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2243685997 FWXJBSYRPNZDRJ-UHFFFAOYSA-N 426.348 1.845 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(Cc2ccccc2)C1 2255692914 DDTNJKQTGFMKAG-QGZVFWFLSA-N 425.342 1.461 30 10 IDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2255695991 NPXHLXQYMSBQRW-CHWSQXEVSA-N 430.314 1.371 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)n1 2256925381 UFNYQZJRDBDZKJ-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)nn1 2259056195 BYRPEEWCKDPNQC-GJZGRUSLSA-N 435.334 1.901 30 10 IDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@@H]3C3OCCO3)c2)OC1(C)C 2267372496 PIVPYPQIKLHLLQ-CQSZACIVSA-N 429.369 1.963 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267586052 FBAZVJPCRKXSIA-QHCPKHFHSA-N 438.337 1.143 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041398 WLOFIVZNLITBNN-GFCCVEGCSA-N 425.722 1.788 30 10 IDEE CC#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O)C(=O)OC(C)(C)C 2300577193 DSGMEQISCPJKLZ-OAHLLOKOSA-N 439.509 1.779 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303111001 FRAOGZQYSUVYRA-UONOGXRCSA-N 446.375 1.619 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2312855073 UCFQPDRQBLDEMW-GUTXKFCHSA-N 432.330 1.694 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1C 2337187798 JJKPOXGGYAYNTA-GJZGRUSLSA-N 448.373 1.918 30 10 IDEE C=CCc1ccccc1OCc1ccc(C(=O)NCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)o1 222458399 ZZQJWNCYGKBEAD-UHFFFAOYSA-N 449.467 1.791 30 10 IDEE CC(CSc1nc2nc(O)n(C)c(=O)c2n1C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254439802 WKURXQCBBYBMKF-UHFFFAOYSA-N 448.421 1.769 30 10 IDEE COC(=O)[C@@](C)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccc(F)cc1 463452610 CPBHYNZAPGWCAC-NRFANRHFSA-N 429.452 1.320 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 469030654 OHULDEFSPGTGFM-HKUYNNGSSA-N 448.504 1.917 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccccc1C#N 482551692 DIVWZPYKWGCBRW-UHFFFAOYSA-N 445.529 1.732 30 10 IDEE CNC(=O)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 484855421 YCGGFFWYFMRKMX-RBUKOAKNSA-N 433.468 1.757 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nn2)cc1 486516915 LAFUQOJNNBWVAM-NRFANRHFSA-N 445.483 1.748 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508887439 IVCZPDMLUVLOLZ-VBKZILBWSA-N 431.518 1.472 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 508929645 BDEHBQLNKBIFIH-SFHVURJKSA-N 431.562 1.965 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CC2)nc1 512238559 GKDUZVKPAKUGQB-IBGZPJMESA-N 434.500 1.465 30 10 IDEE CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1 516514073 GAVOCKFPYVHVPM-UHFFFAOYSA-N 425.576 1.969 30 10 IDEE CN(C)CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)(C)C 523911368 DKJBTICBXZXQHJ-IBGZPJMESA-N 435.594 1.941 30 10 IDEE Cn1cc(C#N)cc1C(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 534009497 HZWBCPZEMDKPIU-UHFFFAOYSA-N 427.486 1.670 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)CC1 537043068 QTOQGHRWVCQMJW-LEWJYISDSA-N 429.609 1.793 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 541496968 DFQVWQGSYOWTHU-UHFFFAOYSA-N 429.521 1.649 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCO2)CC1 549672021 MCAPHNNIPMIMFS-HXUWFJFHSA-N 439.564 1.257 30 10 IDEE Cc1cc(C)c(CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(O)n1 549791004 MMAHSIDFAXTPAY-UHFFFAOYSA-N 444.495 1.789 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 551730613 CVHDOMDYSSPPFF-SECBINFHSA-N 425.396 1.499 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(CNc3nc(C)cc(C#N)n3)CC2)cc1OC 580957992 SMNJRONFIWTEED-UHFFFAOYSA-N 431.518 2.187 30 10 IDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 585088992 XHQRHGNAMVEFSP-FQEVSTJZSA-N 449.509 1.462 30 10 IDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(OC)c(OC)c3OC)N2N1 588226993 CZPCYFWTZPUOPJ-FQEVSTJZSA-N 438.509 1.775 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1=O 590233233 AUNOTOWHORJZCW-ZMZPIMSZSA-N 448.277 1.096 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 618202228 FMCXSNVKTHUVAS-BTYIYWSLSA-N 444.923 1.764 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CCN2C1=O 619853121 DKGFULYSNKGPHE-ROUUACIJSA-N 435.488 1.468 30 10 IDEE C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 727012166 HDMFHFZROLOFRC-OAHLLOKOSA-N 437.452 1.350 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(C)C)c1 730138426 LUVQZRNGRDZRRW-LJQANCHMSA-N 447.605 1.946 30 10 IDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C1 732152613 FAABYCSIIHYYFW-AYAKEVCGSA-N 446.529 1.363 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC(=O)N2C)cc1 734963036 AUMXRRLGBSPMEY-QUCCMNQESA-N 427.482 1.732 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 735851614 BGJFGXNJJPUKKO-OYLHUBKDSA-N 427.379 1.478 30 10 IDEE Cc1c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnn1-c1ccc(Cl)cc1 742294716 AZAWVPDJXSHZSJ-ZCXUNETKSA-N 435.893 1.639 30 10 IDEE COCCn1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)c1C 748065016 GCBNHSZEIDKICR-UHFFFAOYSA-N 443.569 1.493 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752183571 DUSUMSZAUQBAKF-AWEZNQCLSA-N 435.527 1.726 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)OCc3ccccc3)CC2)n1 760622174 ZTYZSHLJHQVEAB-UHFFFAOYSA-N 429.502 1.331 30 10 IDEE C[C@@H](OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 767480898 GAOQROCHZXBQKF-VXGBXAGGSA-N 440.543 1.961 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)n1 789037393 LWPHHLFFRZEXEQ-NFBKMPQASA-N 439.560 1.964 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 790361182 SUEYRAQCTOIFST-UHFFFAOYSA-N 431.521 1.004 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)n1 791747258 HRFIBVNIILTNSS-OAQYLSRUSA-N 426.473 1.702 30 10 IDEE COc1ncc(COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)n1 798563833 GJTTWWLVWKQVJW-MRXNPFEDSA-N 432.502 1.990 30 10 IDEE C[C@@H](C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)n1cnc(C#N)n1 798743225 ZYNUMOUHOIMWBT-NSHDSACASA-N 438.366 1.370 30 10 IDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 798813390 SEYNLBJDVHGEDM-IBGZPJMESA-N 427.482 1.818 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 802600647 XOZPQTODAVZTMT-KKUMJFAQSA-N 442.586 1.814 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H]3C[C@@H]32)c1 815695372 CUCRMTLXWJRSRJ-RLFRPXQUSA-N 434.518 1.218 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 914604811 TZOUYMWFUBSQEN-UHFFFAOYSA-N 443.504 1.839 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1138991491 ORBWVSJIEPKTMC-BPQIPLTHSA-N 442.375 1.933 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1157759686 CTFNIDRUUVESQW-RQJABVFESA-N 441.406 1.277 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O)[C@H]1CCS(=O)(=O)C1 1251322921 OKSUKDPVJDGJFF-JTDSTZFVSA-N 435.521 1.710 30 10 IDEE CSc1nn(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C(N)=O 1265168027 HZQBMOKBAPVBTD-JTQLQIEISA-N 432.893 1.758 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1270241909 CQRRBFATUIIXDA-IAGOWNOFSA-N 432.502 1.189 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286323158 GJHGZMUYLXUPLY-ZWKOTPCHSA-N 427.553 1.615 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286325640 XOUOMIKHKJUENT-LJQANCHMSA-N 441.580 1.167 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286336853 YWTBEFIOFGPLPA-MRXNPFEDSA-N 426.525 1.227 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286357885 PPWIJBXBZWTDMB-UHFFFAOYSA-N 440.548 1.489 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386944 KEWKBEYQLYDJFJ-INIZCTEOSA-N 447.536 1.579 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286387352 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1300409112 PISJQRAMEMWCEN-UFYCRDLUSA-N 427.597 1.637 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300489337 MHLXRIGTVZZMAY-WBVHZDCISA-N 446.529 1.378 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1300597609 NSZFIXKGVGPNOR-NRFANRHFSA-N 430.940 1.388 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2ccccc21 1300654329 WRROATWFDZONSN-WMZOPIPTSA-N 431.562 1.704 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](F)COC)CC1 1300688691 JJBAAJKDIGKMID-QGZVFWFLSA-N 447.511 1.711 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1300699503 DPPBCNOBMBVYSO-MSOLQXFVSA-N 432.569 1.841 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)CC1 1300703091 AFUHZQUGYKHNDO-UHFFFAOYSA-N 433.491 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1300725882 LFFDNOAYXBBVFR-AZUAARDMSA-N 428.581 1.480 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300731732 HXLHLZJLYUKCTP-MRXNPFEDSA-N 439.607 1.284 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1300762038 GKXOPBIPRVUXGC-MRXNPFEDSA-N 427.596 1.214 30 10 IDEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301155556 PPDNFJGCZIKZQI-MRXNPFEDSA-N 428.562 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N2CCCNC2=O)CC1 1301491594 LVDPPXPSIVMUSL-UHFFFAOYSA-N 441.511 1.771 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccs1 1301500571 NOXBNEVJSOQKQP-CABCVRRESA-N 435.575 1.885 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCc2ccccc2C1 1303411139 HQNHKSBETIFWFN-FQEVSTJZSA-N 437.548 1.593 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 1308146505 AIDRPZOKEWSJGQ-INIZCTEOSA-N 441.561 1.700 30 10 IDEE CN(Cc1ccccc1S(N)(=O)=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1312485123 HUYNVDIJMJJSIC-SFHVURJKSA-N 441.513 1.543 30 10 IDEE COc1ccccc1NC(=O)C1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1319258774 DZBVLRMECZKBAA-LSDHQDQOSA-N 426.473 1.789 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1358949716 KWAHSORFVNAUFC-BTYIYWSLSA-N 432.525 1.134 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359057156 UDAMVSOELRSWBN-MSOLQXFVSA-N 432.594 1.731 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCOCC2)C1 1359126144 GVKWOELQPOIPSS-UHFFFAOYSA-N 442.520 1.904 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(OC)CCCC2)CC1 1359165227 KUQVRUCCYJDLFP-KRWDZBQOSA-N 439.582 1.727 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359292948 BQTKAUGQTCOXMG-QRQCRPRQSA-N 442.495 1.718 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cccc(OC)c2)CC1 1359298605 GFNLTEBWHQHOTN-LJQANCHMSA-N 438.532 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N(C)C(C)=O)CC1 1359330217 KXUQYBWTCKASST-UHFFFAOYSA-N 434.566 1.332 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1359335634 QHUBFMZLKJQHHY-WMZOPIPTSA-N 436.509 1.965 30 10 IDEE C=CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359345960 WFLUHMGGAFLDTD-KRWDZBQOSA-N 435.525 1.867 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1359473785 HWUBUXYIBYDDEF-JKSUJKDBSA-N 440.533 1.405 30 10 IDEE CC(C)CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1359962202 QRZUSFSMEZZJOS-IRXDYDNUSA-N 425.555 1.362 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1440987291 FPJAIZRADWCARC-UHFFFAOYSA-N 439.490 1.140 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1444583600 PIECUJLPNVIVFJ-LJQANCHMSA-N 426.561 1.814 30 10 IDEE COCCCn1nc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)ccc1=O 1457779987 NUOIITKPOBLASB-UHFFFAOYSA-N 436.266 1.076 30 10 IDEE CS(=O)(=O)Nc1ccc(C(=O)Cn2cc(C#N)c(I)n2)cc1 1459140382 FQYYCMVDAZPKSS-UHFFFAOYSA-N 430.227 1.614 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OC 1464541121 NVMZLMGLNWAUBZ-LLVKDONJSA-N 447.311 1.677 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)[C@@H](C#N)C1 1465696444 HPKSSBLANLFRKJ-NSHDSACASA-N 428.898 1.724 30 10 IDEE C#CC[C@@H](COC)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1470097534 XDHOSNGJRWTZCX-ZDUSSCGKSA-N 432.340 1.373 30 10 IDEE CS(=O)(=O)CC1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1470296314 HRDFIMBEZUESOM-UHFFFAOYSA-N 435.550 1.859 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC#CCN1C(=O)c2ccccc2C1=O 1472984526 LPPHZTSVFJHQQX-UHFFFAOYSA-N 439.449 1.144 30 10 IDEE CCN(CC(C)C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1501692928 KEYHMGKWEJCNIY-HTXNQAPBSA-N 429.525 1.523 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1507520704 GDPXHPQZWDWYDT-SJLPKXTDSA-N 429.546 1.998 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1507539326 UQFWUXDJYUZDCY-DZGCQCFKSA-N 439.488 1.725 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507632794 ASKWDYHJFSKLNY-SLQAJWMNSA-N 448.614 1.573 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1507642414 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SXAFEGSMWJSZBU-QGZVFWFLSA-N 431.587 1.786 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1539295438 AGLYFLYROIXURW-UTKZUKDTSA-N 429.546 1.259 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC 1539350876 CHXVTBZRLARYRK-UHFFFAOYSA-N 432.369 1.778 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCC(C)C)CC1 1539446441 CIDLWYGICFWTLP-NQIIRXRSSA-N 437.610 1.123 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCNS(C)(=O)=O 1539632594 SKUZATKYBZCEJA-ULQDDVLXSA-N 427.571 1.486 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)c1ccccc1 1539764899 BDIQBZSMQVKAPF-USXIJHARSA-N 447.517 1.716 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C(=O)NC)C1 1540894991 ITTFTXZNFMJFLP-OAHLLOKOSA-N 446.577 1.823 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(C(=O)OCC)c2cccnc2)ccc1F 1544212379 GJROGUSIYZSUPT-HXUWFJFHSA-N 435.477 1.893 30 10 IDEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC 1544352119 OQJLXDXPTZNKKP-PBHICJAKSA-N 439.490 1.620 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1547600353 ULEASRWAFSVFTF-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1552892512 IHUPUSWAWHUPQW-CEXWTWQISA-N 444.561 1.765 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554207738 AVWPQVDOWPVMLU-LTRYHMRKSA-N 449.462 1.237 30 10 IDEE COc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1555020235 FYHFTCAQNDBOQE-UZLBHIALSA-N 433.509 1.873 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCNC(=O)C2CCC2)cc1 1555988675 LHCRMVFPQGOATL-IBGZPJMESA-N 435.532 1.825 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1556399652 UBCWPHMNAPISKQ-QCBUCWTNSA-N 428.551 1.366 30 10 IDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1556406998 GWWWNPSYVIWBNA-UHFFFAOYSA-N 442.494 1.315 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1556797764 HPCAJQUDTLIJBB-OAHLLOKOSA-N 427.910 1.244 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)s1 1556883018 HYYFSGRBFGAPEA-USXIJHARSA-N 425.576 1.518 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1557933807 AJZQXIAFJIXHNU-HUUCEWRRSA-N 445.944 1.940 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)N2CCOc3ccccc32)s1 1558338167 GUSQUNZCTNBEQB-UHFFFAOYSA-N 435.527 1.297 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC(NC(=O)N3CCOCC3)CC2)ccc1C(F)(F)F 1561693908 IDCAKWQEWTXVIV-UHFFFAOYSA-N 446.451 1.772 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1568076582 LLIJYCWGSREUDO-XLAORIBOSA-N 447.532 1.162 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588034962 NVSCVDWMIPNCHK-GDBMZVCRSA-N 425.555 1.469 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588069213 JNTOBDGZNZFSAR-INIZCTEOSA-N 436.509 1.394 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)N1CCOCC1 1588128089 BYVQQYSVLKIBHB-UHFFFAOYSA-N 444.495 1.922 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1588265567 DGUDSOKGZXMLSV-HNNXBMFYSA-N 428.628 1.175 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1588385249 GWBQWGJSDSGZQX-INIZCTEOSA-N 425.518 1.269 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(N2CCCCC2)c1 1588574212 ALUZXXGWQVTTKW-UHFFFAOYSA-N 439.564 1.936 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C1CCCCC1 1588673660 WKGRXJOQTYVFDE-UHFFFAOYSA-N 430.553 1.278 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](OC)C1 1595466261 HSFDWJVKLJBPPJ-KRWDZBQOSA-N 446.939 1.779 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1595550553 FVBDXDRHGKNTJB-MRXNPFEDSA-N 428.541 1.176 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CC1COC(C)(C)OC1 1595798918 VKZFFLFRVAREGB-QGZVFWFLSA-N 442.582 1.956 30 10 IDEE CC(C)N1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1608052426 DNPFMWLRBFKINY-JOCHJYFZSA-N 443.596 1.879 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CCOC1 1610350197 SWOKCOSBISRAKR-PKTZIBPZSA-N 441.532 1.978 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cs1 1612412260 MHXQWOIYHSOHDY-GOEBONIOSA-N 436.563 1.187 30 10 IDEE CCc1ccc(-c2nnc(N(CCC#N)CCOC)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1613765564 FUBGPHUTZKKIBE-OAQYLSRUSA-N 447.561 1.424 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1615509760 UWNRLXZOZNPFPD-UHFFFAOYSA-N 442.549 1.516 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 1616681075 DNAGAOAVRBGAII-INIZCTEOSA-N 443.525 1.901 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1620174565 KGWOTSFZVQRZTF-UHFFFAOYSA-N 429.506 1.552 30 10 IDEE C=CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCS(=O)(=O)C1 1630846976 JLYZCTRQAHPOEY-INIZCTEOSA-N 438.347 1.959 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)s1 1631660956 FNOIDFDXEGICIE-OAHLLOKOSA-N 449.554 1.685 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn([C@H](CCC)C(=O)OCC)n2)c1 1632458097 UOZFKVQXANTXGQ-QGZVFWFLSA-N 432.502 1.951 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)s1 1636394035 IJTFYDADIZINFG-OCCSQVGLSA-N 448.526 1.484 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCC4(CCOCC4)O3)CC2)cc1 1638753409 NDRZSEUMGFDVAE-SFHVURJKSA-N 448.545 1.302 30 10 IDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1638968242 LYACXJHRDVYWJH-MSOLQXFVSA-N 435.278 1.093 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@]3(CO)CCc4ccccc43)C2=O)cc1 1639705292 VDZSJHLEEJUJDE-GBXCKJPGSA-N 432.480 1.756 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1(C(=O)OCc2ccccc2)CCC1)c1cc[nH]n1 1642349331 LVXXGTXZVAGZBY-UHFFFAOYSA-N 428.445 1.476 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1)c1cc[nH]n1 1644831903 APFIUWURCHRVFM-UHFFFAOYSA-N 449.508 1.553 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1645087841 KZQYCFSNHULBKC-DOTOQJQBSA-N 431.493 1.813 30 10 IDEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1645168429 CAPBMRNEVCILMQ-KURKYZTESA-N 449.529 1.321 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](C2CC2)CC[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028473 CELNUIBCNIWTFX-JKSUJKDBSA-N 429.477 1.382 30 10 IDEE CCCCn1c(N)c(N(CC)C(=O)CN2CCC3(CC2)CC(=O)C=CO3)c(O)nc1=O 1648473825 RSGGTBRTEKRBBD-UHFFFAOYSA-N 433.509 1.022 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1681498928 GHHDDGKAXNDASM-QZTJIDSGSA-N 426.477 1.207 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1689929984 IVEBURYFOJFSIB-QZTJIDSGSA-N 433.578 1.336 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689985857 CWHHBEZXGHBEFX-QZTJIDSGSA-N 430.578 1.697 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1690013540 SWGZURRFUQVAOA-UHFFFAOYSA-N 430.512 1.960 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCOCC1 1690052596 MDOSQUVEMYUCFX-UHFFFAOYSA-N 444.539 1.993 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=C)Br)CC1 1690144309 UARIPXLNIFMVTO-CQSZACIVSA-N 435.326 1.104 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690178582 CMSJFJOUZFNDBS-UHFFFAOYSA-N 441.586 1.657 30 10 IDEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1692720626 DVLMVEZOAYABGA-SFHVURJKSA-N 436.564 1.549 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(C)COCCO1 1694117420 KRFVDTVMPSWULQ-AOMKIAJQSA-N 442.568 1.837 30 10 IDEE CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1696133691 FKZHPZCVTDCZPM-FUHWJXTLSA-N 431.518 1.356 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696922241 VXYNJYWKCGPICS-RGJVZEKDSA-N 427.509 1.034 30 10 IDEE CO[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697118992 GHXYXYRICRGVPG-IRXDYDNUSA-N 433.520 1.676 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1698218218 OGCQRIGVXGRODB-GOSISDBHSA-N 433.534 1.493 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1705496110 ZWWXXXOPDBUZBC-HZPDHXFCSA-N 437.591 1.682 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705566194 LYAGFXPEYOZBFA-SJORKVTESA-N 433.534 1.096 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1705570315 ONWAWODRJLORGM-INIZCTEOSA-N 428.543 1.395 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1705602202 LZFAXWLLYOWLCS-QGZVFWFLSA-N 430.505 1.894 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CC 1705622586 MTFWAUJNBQZJND-OAQYLSRUSA-N 448.593 1.794 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2ccn(C)n2)n1 1705632190 XRAXNWABVCNJSG-FQEVSTJZSA-N 438.536 1.784 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(OC)CCOC2)CC1 1705636654 SMQJTEFVAZTNHS-HSZRJFAPSA-N 441.532 1.523 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCSC2)CC1 1705769426 RXPPRTHOSFMLAY-QFBILLFUSA-N 425.624 1.774 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1-n1cccn1 1705879519 BOKJTBWNNNRRSY-UHFFFAOYSA-N 436.520 1.782 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705894780 LBEAZIQHHZTTCA-JOCHJYFZSA-N 441.536 1.869 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705907242 FLPQPPMYACKBOV-FQEVSTJZSA-N 449.559 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](C)C1 1705937788 FEADFLPRKXUXBF-GJZGRUSLSA-N 437.591 1.963 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1705954162 IEDFGIOCTSPLTM-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1Cc1ccc(C#N)o1 1706894681 XENIBTWZRBLYJZ-GOEBONIOSA-N 448.549 1.654 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1710780019 FSOADWFGJZFOJU-GFGLJSBJSA-N 444.536 1.561 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)CC1 1712885171 BGSVMUUJDCJTGG-OAHLLOKOSA-N 431.509 1.982 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722505100 ISWYCSLILTWQPK-QAPCUYQASA-N 434.566 1.772 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)COC)CC1 1722551114 WSLBHMGTBSFUAK-UHFFFAOYSA-N 436.900 1.490 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1)C1CC1 1722650870 NCEVARUIQDYWBD-HUUCEWRRSA-N 447.508 1.190 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1722667373 NPICKHFWMPSYEF-UHFFFAOYSA-N 431.522 1.139 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(c2nccs2)CC1 1722697014 DKGCVTRGLQFATR-UHFFFAOYSA-N 425.522 1.211 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722857574 FXLQKNXFVWJDLJ-HXUWFJFHSA-N 437.548 1.868 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1730022401 DVNMBDQZULXQJC-BEVDRBHNSA-N 443.504 1.743 30 10 IDEE C#CCN(c1nnc(C)n1CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 1740617640 UTJIHQYMHMFHTB-FQEVSTJZSA-N 442.520 1.781 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1740625783 PKCNUYNJDNQMPE-RBUKOAKNSA-N 431.562 1.706 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)CC1 1740691153 WAOWEYIFMDGXOT-IBGZPJMESA-N 444.605 1.666 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2F)CC1 1740694287 FIPYAZIKKCHPMZ-AEFFLSMTSA-N 426.496 1.591 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1740697934 JGKIVJNYROFSLO-UHFFFAOYSA-N 427.574 1.579 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nncn2C)CC1 1740703405 REJKOEKXUURKIR-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1740939276 TWTQIPYDRYBUDY-UHFFFAOYSA-N 440.957 1.668 30 10 IDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCOC1 1740941921 WXHOLLVGVIFQQO-JOCHJYFZSA-N 443.552 1.242 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@@H]1CC 1740953869 UFHNCEHCSGVXCM-ZDUSSCGKSA-N 436.314 1.053 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncn(C)n2)C1 1740973717 CJDUZJHVPYUYTC-MRXNPFEDSA-N 443.533 1.307 30 10 IDEE CC(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1741342228 YFHXUGYUVWSJHU-PLGXQAJASA-N 427.509 1.175 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1743030642 HWWLEJANZSJYAF-XARZLDAJSA-N 438.532 1.982 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC[C@H](CO)O1 1743752811 BOSBZSJXYFRXFV-VSZNYVQBSA-N 440.552 1.708 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1746481291 FVGZBOPDTDKGCK-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCCc1ccccc1 1748640770 ADYPHAWQZIIWNX-MBSDFSHPSA-N 425.533 1.747 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1748751564 IVVMYCWWBNVEIS-QHAWAJNXSA-N 442.608 1.822 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1748766583 SAJPIPQZXGNQAL-FZKQIMNGSA-N 425.942 1.519 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748824049 HVMWXFNXNMGNCV-KRWDZBQOSA-N 448.545 1.507 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(C)CCCC2)CC1 1749015930 SECAEMUFJHASQS-UHFFFAOYSA-N 426.565 1.947 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1749128478 WMVYDCXQQOMPJY-ZWOKBUDYSA-N 430.553 1.515 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749669197 IEKLPHPSAJLPMN-IRXDYDNUSA-N 448.568 1.777 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1749670531 SRRAPAZCPILFJR-SFHVURJKSA-N 447.561 1.862 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1750354939 SHJXWCDBUAPSTE-FUHIMQAGSA-N 437.548 1.641 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1760116231 GKYWPODTBGDMOL-ZFWWWQNUSA-N 438.941 1.166 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760162711 FAQMAKMUQNLXNS-HOTGVXAUSA-N 430.534 1.011 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760184542 JKSIRROWQSHUJE-HUUCEWRRSA-N 439.488 1.335 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1760188802 DEPLFQXKECOAKN-IBGZPJMESA-N 437.525 1.645 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC(=O)N(C)C)CC1 1760261768 BQXPSNPLOKUQTO-UHFFFAOYSA-N 430.503 1.771 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)cc2)CC1 1760268384 IUXUWPOVTYNHSG-LJQANCHMSA-N 438.507 1.577 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760324251 JFUNALLGDBGHAJ-LPHOPBHVSA-N 441.598 1.656 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1763105097 IWQNKAQQVZZKFY-STGLLQLASA-N 425.493 1.803 30 10 IDEE CCN(CC)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1764870138 FBTKGOYBACTGDP-UHFFFAOYSA-N 444.561 1.700 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CCN2C1=O 1765297087 SGMRWHCZYXBRDO-YJBOKZPZSA-N 436.520 1.240 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1769357463 MTAQVWHQQJYHEG-UHFFFAOYSA-N 449.462 1.472 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1769710363 ZMEAOXGBRCARTN-HTAPYJJXSA-N 437.504 1.810 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770133412 ZDKUYUSAGOXMTK-RUNIHZNKSA-N 446.552 1.591 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1Cc1ccc(C#N)o1 1771221008 LMKCFNQFAXXDRZ-XOBRGWDASA-N 430.465 1.546 30 10 IDEE C=CCN(C(=O)c1cnc(N(C)C)c(I)c1)[C@@H]1CCN(C)C1=O 1848883525 CAGXGTLQORLJBF-CYBMUJFWSA-N 428.274 1.611 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)CC1 1850215745 NRDWILGEMXSRBY-UHFFFAOYSA-N 447.495 1.787 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCCN(CC(=O)N(C)C)CC2)c2ccccc21 1851329587 CHZUKPQJBHTNIC-UHFFFAOYSA-N 427.549 1.696 30 10 IDEE CN(C)C(=O)CCc1cccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1 1852534950 KOMWTSXGWWTZTA-UHFFFAOYSA-N 435.528 1.953 30 10 IDEE COc1ccccc1-n1nnc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1C 1853181183 DGDSVIQIXKCJBN-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)N=C(NOC[C@H]1CCCO1)c1cccn1C 1853526140 VIWYFNUIDZNMAN-OAHLLOKOSA-N 435.502 1.956 30 10 IDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854038109 OKUMBPCDFQCERR-CQSZACIVSA-N 431.445 1.524 30 10 IDEE C=CCN([C@H]1CCN(C(=O)Cc2noc3ccc(Cl)cc23)C1=O)[C@@H]1CCN(C)C1=O 1854175326 MSJBPGBZHCEGRZ-SJORKVTESA-N 430.892 1.870 30 10 IDEE CCC[C@@H](F)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854206736 RDDIXNZAKFXPQY-IAGOWNOFSA-N 436.509 1.130 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cn(C)nn1 1854555127 PCYNUURIIQASIJ-OAHLLOKOSA-N 429.502 1.664 30 10 IDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C2)CC1 1855841450 OQZQIAHGGVINRR-KRWDZBQOSA-N 435.521 1.990 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1 1867646634 SIISIKOVVRDZQR-FZKQIMNGSA-N 448.435 1.175 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CC(COc4cccnc4C#N)C3)cc2)CC1 1891896637 HOPKTRIPHKVTIL-UHFFFAOYSA-N 447.495 1.409 30 10 IDEE C[C@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)N(c1ccccc1)S(C)(=O)=O 1892191666 HZOOWWUVQLLKHJ-NVXWUHKLSA-N 429.502 1.573 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(Br)cc2C#N)[C@H](O)C1 2197490137 QCFSYSIEEUKDQQ-KDOFPFPSSA-N 440.294 1.992 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2243390536 XIIDUWJBFAZZAN-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243678131 FJMKUHFYIUKKHQ-NSHDSACASA-N 426.348 1.747 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255605515 MKCXGRNQCGFXDK-OLZOCXBDSA-N 435.334 1.242 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255627645 WMZHETJBLHFVCF-ZDUSSCGKSA-N 438.334 1.057 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 2255636006 OIUPKNPKYHYBQU-UHFFFAOYSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255673866 UHKZBCKJNSWECC-FOLVSLTJSA-N 429.326 1.976 30 10 IDEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2255835742 YEGZEGYGTMLCTA-UONOGXRCSA-N 436.314 1.597 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255846268 HRSPHSDHOQPPAD-AWEZNQCLSA-N 436.314 1.633 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255874811 YLOHDFVYKVWCKK-CHWSQXEVSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2256618807 SYUKSBDNPRECRT-INIZCTEOSA-N 438.305 1.627 30 10 IDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)nn1 2258953293 BCFDIHAUDYSDOV-OAHLLOKOSA-N 433.318 1.522 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267113318 RVYVZOZQEJLBDC-KBPBESRZSA-N 449.361 1.632 30 10 IDEE CO[C@](C)(CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267119248 TUKIWWWTTGMFMU-JOCHJYFZSA-N 444.341 1.466 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N[C@@H](CC#N)C(F)(F)F)NC(=O)OCc1ccccc1 2270494977 VLRPBLDOJFYGNP-STQMWFEESA-N 437.396 1.218 30 10 IDEE C=C[C@]1(C)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270533317 CVBPRCOIUBTICM-VQIMIIECSA-N 426.491 1.061 30 10 IDEE C[C@H](C#CC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1)NC(=O)OC(C)(C)C 2302415851 ULMQQHGMHINMGS-WCXIOVBPSA-N 437.537 1.589 30 10 IDEE C#CCOCCOCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364185290 XVVWQQQCKDADMP-UHFFFAOYSA-N 436.530 1.429 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cc2C1=O 25558259 SKYFYFFEFFUUKU-UHFFFAOYSA-N 433.464 1.871 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cn1 59913997 DROCAXVTNPNTPD-ZVBGSRNCSA-N 443.537 1.628 30 10 IDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 71530810 FXRDFFIUBIRVSU-CQSZACIVSA-N 438.531 1.822 30 10 IDEE CN(C)c1ccc(/C=C\C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 252610280 HZVQBEMHLWZTOD-DQPMBMRFSA-N 438.536 1.722 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2occc2C)c1=O 440376904 HGHHNZJXNPFYFU-UHFFFAOYSA-N 435.505 1.471 30 10 IDEE CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C)C1 471214493 BGAYFDAUDSVGIT-AZUAARDMSA-N 447.605 1.053 30 10 IDEE CN(C)S(=O)(=O)c1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 486506137 NCTFXQPHBZTGHU-UHFFFAOYSA-N 432.481 1.697 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)ccc1Cl 501987547 KMWIYMSSVZIJOQ-UHFFFAOYSA-N 437.930 1.977 30 10 IDEE Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506655925 YPLGPIQFMIULDW-AWEZNQCLSA-N 431.518 1.983 30 10 IDEE Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(c2ncccc2C#N)CC1 508455234 LWPIQWOYZIWXIY-UHFFFAOYSA-N 430.520 1.582 30 10 IDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508508838 LTFQSSRGJOECIA-IBGZPJMESA-N 447.561 1.629 30 10 IDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 544835593 URUWTNNQQDBBQR-MWTRTKDXSA-N 438.532 1.739 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccnc(C)n3)CC2)cc1 545420730 OXCOBRUGKSSCPG-UHFFFAOYSA-N 430.534 1.946 30 10 IDEE COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc(O)c1 546101894 DLLXNNGMXJKLTN-YLJYHZDGSA-N 428.514 1.666 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@]12CCCO2 546813433 PEJRXCGSJSMBDI-QKNQBKEWSA-N 448.545 1.301 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 549485845 GPWRZNCNPJBGHT-CVEARBPZSA-N 435.488 1.583 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 577132414 OQQLBXHXGGFZSQ-HBRVENNYSA-N 429.448 1.475 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)CC1 588767840 KTSUMQHIAXWHGE-HOTGVXAUSA-N 436.582 1.204 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)cc2)nc1 609507766 SACSRCSMIADVBF-IBGZPJMESA-N 444.513 1.964 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c1F 619695455 DAGVCMBZGCYYAU-UHFFFAOYSA-N 449.507 1.887 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCNC(C)=O)c1 730144946 UUFIPZBJOSWMMU-IBGZPJMESA-N 443.573 1.194 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(OCC)c2)C1 760323119 NHBFKNCAEDJFHO-WBVHZDCISA-N 447.561 1.957 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769637767 SXLOMUAZNHTGLH-UHFFFAOYSA-N 428.558 1.459 30 10 IDEE N#CC1(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCN(Cc2ccccc2)CC1 778114832 PDPXDWOYBXQQBP-NRFANRHFSA-N 448.502 1.920 30 10 IDEE C=CC[C@]1(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 790581735 NGJZBVXPKBYSDX-MGPUTAFESA-N 443.566 1.094 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC(=O)N2C(C)(C)C)cn1 796863730 REENQBMIEITHSO-SCLBCKFNSA-N 447.492 1.624 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(S(C)(=O)=O)nc3)cc2C1=O 803217811 ZQFVOMAQGAYOJU-UHFFFAOYSA-N 428.422 1.307 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccnc(C(F)(F)F)c2)cc1 808485626 WDWPWYNQEYWDHR-UHFFFAOYSA-N 427.360 1.676 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 810678881 IBJYXWOPHOXPEX-HNNXBMFYSA-N 427.454 1.577 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CCO1 813746827 UTTWJVXDRSTQIN-VAMGGRTRSA-N 448.545 1.482 30 10 IDEE COCCn1c(C)cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c1C 917799316 VYNPCOUOCLNOTG-UHFFFAOYSA-N 429.505 1.862 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@@](F)(C#N)C2)C1 1138252124 VCPBDLNHBURUIR-UXHICEINSA-N 427.473 1.798 30 10 IDEE CCOC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C)c1C 1138577511 FNLIQFUPGCXXEC-FQEVSTJZSA-N 429.498 1.874 30 10 IDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1152566215 USPFMPQYXCZDOI-HXUWFJFHSA-N 440.569 1.994 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 1175514968 LUUDELCFEAQNMI-UHFFFAOYSA-N 443.525 1.370 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(Cc3nn[nH]n3)CC2)CC1 1175845812 QLWMFCWEKVFGFS-LJQANCHMSA-N 426.500 1.002 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1188508586 XQSFZYHQTPALNC-QGZVFWFLSA-N 430.548 1.165 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)C1 1211877700 CEBSJZKTOWHTBZ-IKGGRYGDSA-N 428.555 1.425 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1286388702 UQXCFCYOQGPEEM-QGZVFWFLSA-N 429.546 1.344 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1286394173 HETJYOXDUOAODA-WIYYLYMNSA-N 446.577 1.336 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1OCC[C@H]1C 1286462607 OQPBSCIXMWGXEZ-VQIMIIECSA-N 436.516 1.703 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286505010 UMHANPIZICCHNY-KRWDZBQOSA-N 445.618 1.683 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1286554077 WULUJSUYNLNVJC-MOPGFXCFSA-N 444.561 1.783 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CCOC)C1 1286808402 LFPASYWZLMBCEZ-VFNWGFHPSA-N 433.509 1.575 30 10 IDEE Cc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1290193745 BXMOVGNVZPDRHS-FUHWJXTLSA-N 432.550 1.706 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)no1 1292703055 XDJLDIVMXPRZJU-UHFFFAOYSA-N 443.533 1.876 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 1293291951 YCIODCJAOVQBPY-ZQZVTAKBSA-N 431.514 1.969 30 10 IDEE COCCN(CC#N)C(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1298924359 GQWRZRDXYJKJEF-UHFFFAOYSA-N 444.513 1.736 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300409014 DYILPRARJPXTDS-QGZVFWFLSA-N 436.582 1.177 30 10 IDEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCN(C)C 1300510518 SRZVGUQEIOZEJH-IBGZPJMESA-N 439.564 1.708 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1300539017 WPNMMBBAOCPNGS-KRWDZBQOSA-N 431.562 1.092 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1300545015 FWDYKUNHCYFAQJ-IBGZPJMESA-N 429.484 1.411 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1300556862 NQNGVXGAVPIGPP-LMDPOFIKSA-N 435.594 1.947 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)C(C)(C)C 1300609899 ZLQDWWIOQIFSEC-UHFFFAOYSA-N 442.549 1.594 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCC(=O)NC)CC1 1300682056 DTSUMJOUUUBIRC-SFHVURJKSA-N 440.548 1.708 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cscn2)CC1 1300755259 PHGTYARLQDSMSZ-UHFFFAOYSA-N 426.575 1.880 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300756479 OFXMDVBMWLXNSR-CYBMUJFWSA-N 439.563 1.242 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300982437 IPCKCSLAOSVFKV-QFIPXVFZSA-N 441.536 1.691 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1303638920 CMWXOXWUUPEXPV-CVEARBPZSA-N 449.556 1.803 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1303847682 KGEXNIZFIZRCFQ-KBMXLJTQSA-N 433.452 1.895 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)ccc1F 1304383533 XMFYWFISEZEDRK-CYBMUJFWSA-N 429.470 1.571 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1314633002 AHMYOVYXAFPRSQ-LJQANCHMSA-N 434.497 1.269 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(C)c2C)c1 1358902019 CMIHFRHEQKLJOI-IBGZPJMESA-N 446.515 1.376 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1359008941 DPSMFNGSUIVVQQ-GOSISDBHSA-N 432.546 1.713 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1359024480 NZKDCHDJMPDITR-RBUKOAKNSA-N 437.610 1.388 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)nc1 1359073071 BKOMNOBQDBOFAY-JOCHJYFZSA-N 449.540 1.804 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1359127354 OJWUCFRZHMQPQN-QGZVFWFLSA-N 428.603 1.402 30 10 IDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1)c1ccccc1 1359138671 AFYMIBRFDRKZIN-RTBURBONSA-N 432.546 1.745 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCS(C)(=O)=O)CC1 1359175967 HLUUGUVVVXHCSB-UHFFFAOYSA-N 442.549 1.758 30 10 IDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359247360 ZWFAUNCUUKWSCW-PMACEKPBSA-N 440.566 1.023 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCC2)C1 1359300986 OFGSWIOOEYTSTQ-MRXNPFEDSA-N 437.566 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359332369 WAPZMJWARMRFAX-QGZVFWFLSA-N 436.582 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335428 LITGDTWGPWHDNB-XLIONFOSSA-N 442.582 1.535 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359337442 SGXAMIRACRNZSQ-VKJFTORMSA-N 445.611 1.192 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1359465371 AOWUYIMLJMQFSF-DLBZAZTESA-N 425.541 1.512 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCC1 1360215565 PWHLZNAQUJMMHL-UHFFFAOYSA-N 438.536 1.437 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1360295863 QBHRBIRZKUMNAT-IEBWSBKVSA-N 437.548 1.926 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1360468231 ZOCMNZASPJSBPM-IRXDYDNUSA-N 426.525 1.653 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCn2ccnc21 1360680725 HMYBEWOHINXNIV-SUNYJGFJSA-N 436.517 1.104 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1360797335 OKBNXHBPPFEXPC-WUKBZCGHSA-N 441.536 1.239 30 10 IDEE N#C[C@@]12CN(C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1439611033 MITYOVMUYCWASS-MZKRTTBSSA-N 437.521 1.945 30 10 IDEE CSc1nc(O)c(C(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1C#N 1462367023 QNFFLXQHIADFOI-CQSZACIVSA-N 434.518 1.833 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1 1472701536 VPSYFLWGMGCERR-UHFFFAOYSA-N 430.490 1.270 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C 1492320242 HRRPKVSFBVJXNZ-YCRPNKLZSA-N 447.561 1.619 30 10 IDEE Cc1nccnc1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1492715793 LMEBRPHEBADZIW-UTKZUKDTSA-N 427.509 1.389 30 10 IDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1=O 1502303615 DHANWMHDSYGYAO-GOSISDBHSA-N 435.532 1.790 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507638425 FKFWKJJQBIEMHQ-HXUWFJFHSA-N 442.585 1.995 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507773770 MGNPBDVJIWEBFK-OXQOHEQNSA-N 448.618 1.907 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1507842877 DVIJVCSPMZOWPY-OAHLLOKOSA-N 437.504 1.096 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508160090 DAIXAVWVCMZPFV-XHSDSOJGSA-N 430.596 1.340 30 10 IDEE CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1513519977 BZGNLOZZTHMFNG-KRWDZBQOSA-N 438.536 1.374 30 10 IDEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1516746858 QUEOVJKYNRLHHJ-SFHVURJKSA-N 444.561 1.415 30 10 IDEE COc1ccncc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1518547027 DNXXNWMJLDOEPK-OAHLLOKOSA-N 439.501 1.450 30 10 IDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1526236480 XZNSHLWJYHWNPH-DLBZAZTESA-N 432.502 1.189 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1539279186 XPMNTWWVYSWKRZ-UHFFFAOYSA-N 428.514 1.516 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCOC)CC1 1539476587 BYPCTRNVKGUUMA-UHFFFAOYSA-N 442.520 1.398 30 10 IDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539723147 YQBKPPSROPNWSH-SFHVURJKSA-N 441.598 1.625 30 10 IDEE C=CCN(c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1540108950 UORRVRDLDIUIMW-HNNXBMFYSA-N 427.596 1.315 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540866874 DCLSFQBTUYBJPN-WBVHZDCISA-N 429.521 1.862 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1540867592 AOMMJOWYDMERNO-INIZCTEOSA-N 438.492 1.727 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2nccs2)C1 1540872990 IPYZKQRJSUYENJ-OAHLLOKOSA-N 445.574 1.970 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1S(=O)(=O)NCC#N 1544508736 IFISCVLBWBOZOV-LJQANCHMSA-N 440.525 1.832 30 10 IDEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](C(=O)NC)C2)n1 1548367755 LLACFXRBHXWIMD-KRWDZBQOSA-N 434.422 1.870 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1554978714 DOVYUIXJTKHMNO-CRAIPNDOSA-N 447.517 1.029 30 10 IDEE COCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555720088 YAJQLYOMBZPZON-IBGZPJMESA-N 442.520 1.529 30 10 IDEE Cc1csc([C@](O)(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C(F)(F)F)n1 1557894888 FVLFHLJRGWEIJG-OAHLLOKOSA-N 430.412 1.662 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(CC)cc3)CC2)nn1 1564958411 RYBORUXHMMGLOL-QGZVFWFLSA-N 426.521 1.848 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CCN(C)CC1 1585116052 YJBFLNZLHZIEGX-LJQANCHMSA-N 427.545 1.651 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CCO)c1ccc(Cl)c(F)c1 1587321407 ZSKUBJWJJOIXDA-HNNXBMFYSA-N 425.869 1.758 30 10 IDEE C#CCN(c1nnc(CC)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1588059614 QYFZPUWNWYEZLV-INIZCTEOSA-N 425.624 1.295 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC2)cc1 1588158370 UZBMCDJYZIOSJK-UHFFFAOYSA-N 432.433 1.681 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc2[nH]ccc12 1588646897 OUMDQTOFZFJQNM-SFHVURJKSA-N 441.557 1.990 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccccc2)CC1 1588742784 UYFCNRMWFCDKTF-ROUUACIJSA-N 430.578 1.447 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1589651784 HALTVCJDDPBXPA-LAUBAEHRSA-N 434.610 1.840 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1589651802 HIASNFPWASQPBL-QGZVFWFLSA-N 446.577 1.930 30 10 IDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1593788666 CGBHKGZQMVNBIV-GOSISDBHSA-N 445.545 1.782 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1595577268 NDSCIUMFQXKOMF-OALUTQOASA-N 436.516 1.894 30 10 IDEE CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1612826986 FMZIYNREYJPGID-ZPHPHTNESA-N 427.509 1.277 30 10 IDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)s1 1613904039 FGKFXYPEXPSDTJ-UHFFFAOYSA-N 446.562 1.264 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1614261437 BYLZTKSNZDRBME-NVXWUHKLSA-N 448.549 1.282 30 10 IDEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1614318079 FWIBRPDHWOCUCZ-KRWDZBQOSA-N 448.535 1.521 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1619990553 VNZFPIAACJJMQI-YLJYHZDGSA-N 438.548 1.679 30 10 IDEE CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)c1OC 1622131244 COAAPYIJUCZXOR-UHFFFAOYSA-N 429.882 1.176 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)cc1 1624944396 AUFYEAOSRKNUME-LRDDRELGSA-N 438.531 1.722 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(OCC(F)(F)F)nn1 1632575808 RNFRTYNWTQQJMX-NSHDSACASA-N 443.407 1.273 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)OCC)([S@](C)=O)CC3)cc2C1=O 1635780117 JVGFQVFQKXTMAU-PMERELPUSA-N 432.498 1.385 30 10 IDEE CCOc1cccc(CN(CCO)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1638053651 QMEOBXPNGMHCLA-UHFFFAOYSA-N 445.541 1.925 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(CNC(=O)OC(C)(C)C)CCCOC3)CC2)c1C#N 1638691809 QDOOUNFBSWNKOV-JOCHJYFZSA-N 446.552 1.570 30 10 IDEE C#CC[C@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1)C(=O)OC 1642410395 CHCWWNLXCQQHDR-WFASDCNBSA-N 437.290 1.598 30 10 IDEE COc1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc(NS(C)(=O)=O)c1OC 1646250948 MJTLTYOPEBENNE-UHFFFAOYSA-N 436.515 1.789 30 10 IDEE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028581 GNINALDFSPWECM-GOSISDBHSA-N 439.472 1.545 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1649541436 QBPYRONRXJLFON-INIZCTEOSA-N 433.310 1.963 30 10 IDEE Cc1cccc(-c2nnc(S)n2CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1654727143 QIGBJLSIEZNEIB-UHFFFAOYSA-N 437.485 1.150 30 10 IDEE COc1ccc([C@@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)c1 1654974966 LRPRLJVXAHHYMC-UQASEVPWSA-N 433.530 1.237 30 10 IDEE C#CC[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1660118850 SBQLAGJAXJDFFO-HNNXBMFYSA-N 425.938 1.645 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)cc2CC)CC1 1667818354 MBSCBCAQMRDFOJ-UHFFFAOYSA-N 429.340 1.629 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1681194081 NAWSKIXCWBXIBI-CVEARBPZSA-N 444.351 1.809 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NCCN3CCCOCC3)c(C#N)c2N)cc1 1682924457 OPRJFWILVCXJNO-UHFFFAOYSA-N 425.537 1.589 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C3CCC3)[C@H]3CCCO3)CC2)cc1 1684235738 LKXSWKIMJUBTTD-WOJBJXKFSA-N 432.546 1.922 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C3CCC3)[C@@H]3CCOC3)CC2)cc1 1684689745 PUJSIHGFOZXJLZ-QUCCMNQESA-N 432.546 1.779 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CO1 1687764468 FTFSYINEUMEIOL-AWEZNQCLSA-N 432.481 1.806 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689938281 GQLKHDWCXHUPHD-GOSISDBHSA-N 442.541 1.906 30 10 IDEE C#CCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1689941877 WQRKVIBJWIFUPW-FQEVSTJZSA-N 439.582 1.204 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690174798 KLUZEXWDRUOLFZ-MAUKXSAKSA-N 427.530 1.824 30 10 IDEE C=C(C)COCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690320112 JWOSJJAKMUXYSK-OAQYLSRUSA-N 431.541 1.832 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1690622300 MIPMJMPKHOQLLN-VQIMIIECSA-N 443.639 1.256 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1696528679 ZUVBMCLSEVZNAF-INZIPBBXSA-N 446.581 1.138 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1696749864 LLANSCGCGDWENF-YGCDDZCOSA-N 437.504 1.872 30 10 IDEE COCCN1C[C@H](Cn2c(C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CC1=O 1698074147 BJPASSPEHDAVQP-QGZVFWFLSA-N 441.511 1.419 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@H]1C1CC1 1705588679 IIFBIINHPYOJHR-MDKPJZGXSA-N 433.578 1.556 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1705589565 SGKZWATYJDGEJJ-RTBURBONSA-N 434.610 1.472 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1705627015 QXHQBCSFJQTTJN-MRXNPFEDSA-N 449.515 1.040 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)CC1 1705831970 JHGDDQKUXYXIFW-UHFFFAOYSA-N 428.541 1.053 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1)C1CC1 1705853346 XEIBLSVSKWHACT-GOSISDBHSA-N 429.546 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705900490 FSKHKIPXUNUPLV-UHFFFAOYSA-N 435.414 1.426 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705907677 UAYQMFQJLLYMOB-GOSISDBHSA-N 443.552 1.216 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](OCCOC)C1 1705909220 QJJSNNIMXRIJBT-YQVWRLOYSA-N 435.569 1.741 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)c1ccccc1 1706889497 GAWAAHJRGQPRRL-UKRRQHHQSA-N 440.476 1.409 30 10 IDEE C[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)COCCO1 1706958959 JIUCOQISEFYPBJ-NRFANRHFSA-N 425.493 1.861 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1712565233 CETKTOQMJWJPHU-HKUYNNGSSA-N 431.541 1.940 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1712886694 BDKAMCLDJOOIQD-UHFFFAOYSA-N 429.912 1.982 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722308738 PVBFAQQVDHBQKL-SJORKVTESA-N 439.582 1.466 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1722351094 GOYQMCLPNNMRMG-IBGZPJMESA-N 447.561 1.458 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722361506 NTNMIHGQABKVLN-MRXNPFEDSA-N 439.488 1.639 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1722366932 LDIGLUPTFGTZPV-OALUTQOASA-N 444.557 1.856 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCOCC1 1722391930 YWCNCQALRCNPBO-NZQKXSOJSA-N 429.565 1.361 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722527587 OOMJDCPERQKDEM-HTAPYJJXSA-N 442.520 1.902 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722532377 KIOIIUBOCMANTN-RBUKOAKNSA-N 431.585 1.038 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722592823 ZSLBWAYNWJPMSR-SFHVURJKSA-N 432.569 1.959 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1722623298 CLFMFNZCGQFPRB-UHFFFAOYSA-N 433.534 1.220 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722691148 OOXBQXJTEJNYPW-UHFFFAOYSA-N 446.577 1.523 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC(N)=O)CC1 1722701476 QWTNODZONAUXPT-UHFFFAOYSA-N 435.532 1.675 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722858624 RZJAXZWERRUKQI-QHCPKHFHSA-N 437.548 1.644 30 10 IDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1727244242 ADRFGMWSZBAXAS-MAUKXSAKSA-N 432.550 1.712 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740616954 JNLDBAFFVCNUIE-INIZCTEOSA-N 442.607 1.386 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1740622141 VLQWHFALAMNTKR-HNNXBMFYSA-N 425.461 1.596 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1740624589 IFTYBGYOQMBAQU-LJQANCHMSA-N 440.504 1.473 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CC1 1740677056 DFQGSIMNZBEHIE-YCRPNKLZSA-N 449.552 1.828 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC[C@@H]2CC)CC1 1740688512 GLTCOCLFDMRLCD-FQEVSTJZSA-N 427.597 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCS(=O)(=O)Cc2ccccc2)CC1 1740706490 YXZDJSQWEXNRCQ-UHFFFAOYSA-N 443.573 1.421 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740714998 QBRPFZZZDIXZCN-UHFFFAOYSA-N 443.577 1.224 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCC)CC1 1740757824 RTIYVJOUVLBUFS-NQIIRXRSSA-N 441.580 1.523 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740781405 GYAWEOYXAKMKIA-MRXNPFEDSA-N 426.525 1.629 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740958126 IRALNVXKANWMHK-QGZVFWFLSA-N 431.585 1.275 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCOC[C@H]1C 1740993351 YKZZCDNKTRWDJL-CQSZACIVSA-N 426.489 1.973 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1741063677 HJQFBOTXKASPCB-OXJNMPFZSA-N 446.508 1.629 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1741123730 ANQMONRUHBXFJC-NWDGAFQWSA-N 445.471 1.946 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC[C@@H](O)C1 1741662217 AYNWTKWMQHIBCV-WMLDXEAASA-N 439.520 1.502 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1741796255 GYPYHJHEFHXUJS-OAHLLOKOSA-N 444.499 1.998 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1747441526 KDHLNVZHKPXPPK-CRAIPNDOSA-N 432.550 1.617 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748718698 MPDDXVCGQXGMAR-UHFFFAOYSA-N 437.548 1.241 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CCS(C)(=O)=O)C1CC1 1748754880 AFNALPLTYCVHRM-UHFFFAOYSA-N 426.546 1.943 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1748803186 VUQOGKGNWBIOOI-DLBZAZTESA-N 430.578 1.661 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1748977830 KGWYULIWSGSFMI-FDDCHVKYSA-N 442.539 1.379 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1748986667 GHCSLKGKHGNQBE-UHFFFAOYSA-N 431.544 1.973 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1749010543 SGWLKPHLRGGTMZ-CTNGQTDRSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749044515 RHWLJSLSKDRMHA-KGLIPLIRSA-N 431.484 1.923 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1749652420 NPUDTAPHEGPVME-IBGZPJMESA-N 447.337 1.712 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749669191 CWGLBAPDSWGYQA-ZWKOTPCHSA-N 440.552 1.370 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1750059805 BVQMXHLGLVVYCU-RBSFLKMASA-N 434.522 1.324 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N1CCOCC1 1750646116 NRBSVVBURKAKLY-UHFFFAOYSA-N 438.536 1.244 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760157450 PLJGJZRQCHMGFM-QUCCMNQESA-N 441.580 1.921 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1760186322 MBAFOIJUMOHHSO-SJORKVTESA-N 439.582 1.628 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1760210369 RDOFCTHJEHANGT-WBTXTPOCSA-N 435.594 1.947 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760272782 VQWMYYHHROVXGO-IRXDYDNUSA-N 425.562 1.965 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1760381566 QYTHUYXHOCEXMH-UHFFFAOYSA-N 432.550 1.551 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1760519493 GHHXNWSEVBBXHY-UHFFFAOYSA-N 437.548 1.940 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1760523425 XSZFYAAYMIQCGW-UHFFFAOYSA-N 444.437 1.003 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1760548610 LSOLNVBLZYILCE-UHFFFAOYSA-N 425.599 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1760548727 NVMZDMLONMOLFZ-JKSUJKDBSA-N 449.508 1.887 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760851254 NRPRVPJBYFXAHM-UZYVYHOESA-N 443.552 1.671 30 10 IDEE CC(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1761093009 BKGCVMGZYQZSIJ-LJQANCHMSA-N 429.569 1.753 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1761360246 IWOPBJGENIXPHU-YJBOKZPZSA-N 447.503 1.857 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762848121 DINBAGKNAAHLKX-QFPXGYFVSA-N 429.525 1.569 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1769322368 GPPXIUFDDFZHSW-UHFFFAOYSA-N 436.545 1.732 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)C1 1772792772 GOBYIDQVYIBPGH-LBPRGKRZSA-N 429.429 1.209 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CCC(=O)N3Cc3cccs3)CC2)nc1 1853219361 VRUNQDGBAKXPQZ-IBGZPJMESA-N 439.541 1.871 30 10 IDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)cc1 1856342903 IVVXAOFEIQIQPS-LJQANCHMSA-N 429.542 1.377 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1857093456 RDBJJWIVLWAEIT-ZDUSSCGKSA-N 433.436 1.827 30 10 IDEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc(OC)c1C 1889451200 BNYOZDLBIHSMNC-UHFFFAOYSA-N 429.561 1.884 30 10 IDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255659326 QPIVJUQCMNSMDB-CQSZACIVSA-N 434.346 1.801 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255823357 UEDZVBTVOYWHQZ-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE Cc1c(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829964 XYSXCAQUKHDTET-CYBMUJFWSA-N 436.362 1.918 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256622240 FBVXFADIVURRBN-ZIAGYGMSSA-N 433.314 1.690 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)n[nH]1 2267142042 OSXMGRWXKIVXSN-SNVBAGLBSA-N 447.305 1.665 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267544525 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1.243 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 743903920 YCRTUGKIEZGYFI-UHFFFAOYSA-N 429.370 1.836 30 10 IDEE CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 752214415 BEVZJHKKORRCTQ-FUHWJXTLSA-N 440.543 1.468 30 10 IDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 757177595 NMIZCRFZFICATJ-GJZGRUSLSA-N 443.533 1.701 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 757579849 HAULWKZMDGHZJV-RDJZCZTQSA-N 436.534 1.539 30 10 IDEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760791075 FKDKDISXYWFOKC-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc(Cl)c1 771540622 GRHOUGBVNIZBPZ-CQSZACIVSA-N 433.925 1.706 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(C[C@@H]3CCCO3)c2=O)cn1 772280021 UFFQTPZMJKGKEE-KRWDZBQOSA-N 438.484 1.347 30 10 IDEE C#CCN(C(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774241132 OZAXBAVMXOIJKL-HRCADAONSA-N 443.566 1.579 30 10 IDEE N#CC1(c2ccc(C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 777173965 XJFADIHQYAZQPN-RTBURBONSA-N 446.525 1.593 30 10 IDEE C#CCN(C(=O)CCOc1ccccc1I)[C@H]1CCS(=O)(=O)C1 783358991 VLRZBHDABZOAGQ-ZDUSSCGKSA-N 447.294 1.709 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cc(-n3ccnc3)cs2)CC1 783844388 DDNNBOBBFLWCNW-UHFFFAOYSA-N 431.547 1.711 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 785957796 ISEFYLIJJMKVKS-GOSISDBHSA-N 441.465 1.693 30 10 IDEE C=CC[C@@]1(C(=O)O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 791717067 OZVMHGREGGXWOI-QRQCRPRQSA-N 437.537 1.988 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 794579724 NIJFMFSHSWNGEQ-INIZCTEOSA-N 442.585 1.948 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)NC2(C#N)CCCCC2)[C@@H]1c1cncn1C 796087133 KNSFTNLXFROUBM-OXQOHEQNSA-N 429.521 1.996 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(CCS(C)(=O)=O)no1 904883708 LLPQMVFHDOKYTD-CYBMUJFWSA-N 426.520 1.483 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccncc3)n2)cc1 1084501112 MFAFWHYJPMENDW-UHFFFAOYSA-N 432.491 1.024 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1131941320 MTUMKMZOVVGAIF-KRWDZBQOSA-N 437.562 1.180 30 10 IDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OC 1132422416 SOWXXMPUSBWYLU-AUUYWEPGSA-N 425.844 1.870 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC4(CCOCC4)O3)C2=O)cc1 1134382041 MEFCEEWGURQEHU-QZTJIDSGSA-N 426.473 1.608 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)CC1 1138972272 KWFHLJAEXDOQDM-UHFFFAOYSA-N 447.576 1.907 30 10 IDEE C=CCOC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1139176526 ZFFBPYBNKVGXJF-CQSZACIVSA-N 428.507 1.246 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)s1 1147957003 LUGBIIKMTLCBGU-UHFFFAOYSA-N 426.520 1.498 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)[C@@H](C#N)C1 1149176034 FZRNORZVNZANFF-IRXDYDNUSA-N 432.477 1.245 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCC2(O)CCN(c3ccccc3)CC2)cc1 1170884480 DWOKZCOSOOWVPT-UHFFFAOYSA-N 441.553 1.750 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(S(=O)(=O)C4CCCC4)ccc3F)C[C@H]1CS(=O)(=O)C2 1178757572 UFHZCZLWWZYJDF-DJJJIMSYSA-N 440.518 1.552 30 10 IDEE C#CCOc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1200413601 HMZAHQSVGNMJQS-MSOLQXFVSA-N 449.529 1.949 30 10 IDEE C[C@H]1CN(c2cc(F)cc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)c2)C[C@@H](C)O1 1219351865 ALKXGWGRUTYIGU-BETUJISGSA-N 430.440 1.395 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1253401402 HYFHCQHFECWVSO-KSSFIOAISA-N 426.502 1.238 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1286352848 OKVGEVYCPYPCRZ-IAGOWNOFSA-N 446.552 1.667 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)CC)CC1 1286472960 FSDSAEHDNZQQPB-UHFFFAOYSA-N 432.506 1.043 30 10 IDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccccc1 1286614653 AFUCOQGKWSCMTO-GOSISDBHSA-N 446.577 1.648 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1286714600 QTNGVXGCSOYPCU-UONOGXRCSA-N 430.575 1.814 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286776085 CCUCZYWSMRVPSW-KZNAEPCWSA-N 435.525 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOC[C@@H]1C 1286820090 DTXVVPAMCGVTMI-YJBOKZPZSA-N 434.518 1.617 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1298086457 DQHYIXAPAFRYFE-VQTJNVASSA-N 426.521 1.847 30 10 IDEE CN(Cc1ncc(Cl)n1C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298451997 SCNOELJNTKVMID-LBPRGKRZSA-N 449.924 1.716 30 10 IDEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1299312061 NNHIZQUOAYFDAY-UHFFFAOYSA-N 431.522 1.020 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1299891686 WNXYVIOEUKHMPC-HXUWFJFHSA-N 426.535 1.053 30 10 IDEE CC[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCc1cccs1 1299897777 WSOSBLPWDZBHID-KRWDZBQOSA-N 434.543 1.765 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300268975 XRUAJHCYMKLRRU-NVXWUHKLSA-N 449.490 1.867 30 10 IDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1300357719 VRHYKUBDTVMVRY-MRXNPFEDSA-N 433.516 1.790 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1300365190 QZTFYJOLHKVGAM-HOTGVXAUSA-N 430.596 1.243 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1300372331 PWNXOJDQNKVODY-IBGZPJMESA-N 425.537 1.998 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1300534437 BRGPSBBFYSAWBU-HXUWFJFHSA-N 426.542 1.838 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCCC 1300537780 JWUMCPFBVKAGKP-WOJBJXKFSA-N 431.606 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1300555244 VRSRKBUOLCLCOL-QFIPXVFZSA-N 441.919 1.476 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)[C@@H](C)CC)CC1 1300710794 LLOKEMNAURGWJE-WMZOPIPTSA-N 432.569 1.443 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cnccn1 1300863180 KDABUTHMTPBWET-HKUYNNGSSA-N 425.537 1.964 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)CC1 1300895006 KUXJOTJGACPWPL-MHTWAQMVSA-N 449.596 1.752 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1300989886 HCOIMRRZLYIITD-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1301317239 UDSLXQUIHPNUFQ-OAQYLSRUSA-N 448.545 1.667 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)C1 1301558531 WTDFHPDYVILPEY-HZPDHXFCSA-N 439.582 1.124 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1N1CCOCC1 1305147708 DXBAJAUGNCHPTK-VQIMIIECSA-N 444.561 1.018 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C2)c(=O)nc1O 1312592798 RVQDPZXLOSXOBL-LSDHHAIUSA-N 430.262 1.705 30 10 IDEE N#Cc1c(CCCNC(=O)NC[C@H]2CCN2C2CCOCC2)nn(-c2ccccc2)c1N 1313342391 XBZFWSUTHFKECR-LJQANCHMSA-N 437.548 1.811 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1313547015 KOQUOVLNUOGOJV-QGZVFWFLSA-N 438.305 1.966 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1315961946 BUSRLTUZZWBIFL-DYESRHJHSA-N 426.477 1.245 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)NCCSCc3ccccc3C#N)CC2=O)cn1 1352845721 DCHYMQAFEBJLDX-SFHVURJKSA-N 427.530 1.804 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)nc1 1358900607 OEWUVOKIVZAQSR-LMNJBCLMSA-N 440.548 1.740 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358959706 OBNBMGVSFHZNGI-RBUKOAKNSA-N 427.530 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCO2)CC1 1359041844 KHWAGPGDTNXWKL-AVRDEDQJSA-N 431.537 1.075 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1359074337 ZHRMVMRUSIJSNL-HXUWFJFHSA-N 435.525 1.928 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1359265411 FATOWFZAQSIQHV-WOJBJXKFSA-N 443.596 1.596 30 10 IDEE CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1359603833 FALQUKNXWJKYJF-QGZVFWFLSA-N 444.561 1.149 30 10 IDEE C=CCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OCC 1449694173 KEIHMCSKTSDHOJ-MRVPVSSYSA-N 425.326 1.786 30 10 IDEE C[C@@H](CC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1454825968 BLQYMXZYPAUEQD-KBPBESRZSA-N 438.550 1.923 30 10 IDEE CC(=O)NCCc1ccc(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)s1 1459083970 BWWDILPUEQTBJD-UHFFFAOYSA-N 428.514 1.175 30 10 IDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 1472490510 KNZCXKCGZGCCHK-HXUWFJFHSA-N 439.534 1.489 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1505135025 HIIYMZCTTMXQCC-OAHLLOKOSA-N 448.524 1.164 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCOC2)CCO1 1505321367 PAAPMEWWRQJMOO-DLBZAZTESA-N 441.492 1.097 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1507612104 RBGGVCJRUWYJSR-UHFFFAOYSA-N 433.516 1.661 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507631143 MLYTVYJJJIEECU-IBGZPJMESA-N 447.609 1.424 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1507672093 UHRILRSJJZIDPQ-LJQANCHMSA-N 443.529 1.145 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1507688431 ABSBGBMGOMLPQH-HNNXBMFYSA-N 427.596 1.356 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2nnn(C)n2)CC1 1507734841 ZVUOJSVTVJZSDC-UHFFFAOYSA-N 433.520 1.045 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507835119 LRTBAFXZIOYOPE-YLJYHZDGSA-N 441.598 1.614 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1508005956 CTMIVCYWBLSFRH-KDOFPFPSSA-N 441.579 1.294 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCc3c2cnn3C)nnc1[C@@]1(OCC)CCOC1 1508092225 ALMFBXMEDUCAOD-VGOFRKELSA-N 443.552 1.480 30 10 IDEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1508157398 FDAVGMKTXFQBMQ-SFHVURJKSA-N 447.561 1.833 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1CC1 1510206060 BOPDVCUGGYNRIO-INIZCTEOSA-N 443.577 1.887 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1516964564 HGDTXUNYOSHTML-UHFFFAOYSA-N 441.536 1.558 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1517619999 DXPRWICTJBLMIU-KRWDZBQOSA-N 439.501 1.025 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1Cc1ccc2c(c1)C(=O)NCC2 1519167833 GSEFPRIHFJXAGE-UHFFFAOYSA-N 445.527 1.965 30 10 IDEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc(C)c1C#N 1531321136 NWHCJZJWGFKJMA-KRWDZBQOSA-N 447.538 1.893 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1532954146 HVNXVKBYFAHVRL-LJQANCHMSA-N 426.498 1.421 30 10 IDEE N#CCc1cccc2c1CCN(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1534519739 OLSDWHQDLHEKDO-UHFFFAOYSA-N 425.510 1.972 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCc2ccccc2)CC1 1539094333 OFSZSJYDQZYCBO-LJQANCHMSA-N 444.605 1.666 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1539126462 VSDUHZNJHINGNM-IBGZPJMESA-N 425.489 1.499 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)cn2)n1 1539424895 XUDKHLBSVKNVSL-QGZVFWFLSA-N 439.495 1.847 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCN(C)C2)CC1 1539462626 KARHTONCYBECFO-DNVFCKCGSA-N 430.597 1.019 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1539514178 OVILAXWCKLZTRC-MOPGFXCFSA-N 441.557 1.880 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC=C)cc1 1540878064 MWLUHYUXCRNCLZ-LJQANCHMSA-N 447.561 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](COC)C1 1540907143 MMJXKSXYXLKQDD-SFHVURJKSA-N 436.582 1.603 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1545122988 FTHZWXIFMJAQGS-VQIMIIECSA-N 444.561 1.161 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCOC4)C3)n2CCOCCCO)cc1 1555990645 FPTSPBDGAOBKOT-QFIPXVFZSA-N 427.505 1.745 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)CC1 1556808862 XKRRVFDIFYBHGN-UHFFFAOYSA-N 442.516 1.881 30 10 IDEE CC1(C)NC(=O)N(CCCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1557389122 AFYRTEMLORVKEY-UHFFFAOYSA-N 449.515 1.708 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(C)=C/c2ccc(OC(F)(F)F)cc2)CC1 1558075191 PFTZFSQAPJNARP-BUHFOSPRSA-N 431.436 1.600 30 10 IDEE CNC(=O)CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1ccccc1 1560087453 CWEZDZIWUOSACP-JOCHJYFZSA-N 437.519 1.783 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1565566928 NEPLRZXQRXWUKC-SFHVURJKSA-N 435.569 1.730 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588133624 JJYSTVXGLKOEIU-ZWKOTPCHSA-N 439.482 1.898 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1588482299 PYWZXDOVJYBFKT-AEFFLSMTSA-N 445.520 1.443 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N2CCOCC2)CC1 1588791055 LQAVUEGERGRULA-UHFFFAOYSA-N 428.924 1.213 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1589530367 VDPCUJYONLMJQZ-BJLQDIEVSA-N 429.569 1.817 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCC(=O)NC 1589570568 VOVFTPHEKRDGFU-DNVCBOLYSA-N 446.577 1.823 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1CC 1593746824 ODCOAQVMIMAASC-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE Cn1ncnc1C1(O)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1594068281 CZJSNBAEIAROIB-AWEZNQCLSA-N 428.880 1.203 30 10 IDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1)C1CC1 1595026582 PACJUMBODCYPHO-JOCHJYFZSA-N 433.553 1.722 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)C(C)(C)C)C1 1595715562 YGYSRSXPRYDIOC-HNNXBMFYSA-N 444.536 1.949 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1597985052 DYGJELUFMDVFRJ-YOEHRIQHSA-N 425.493 1.483 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1607506849 GEVCTTVFPGELMG-XUTLUUPISA-N 438.536 1.578 30 10 IDEE C#CCN1CCC(NC(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)CC1 1611662590 NRLGZQQFTMRWTJ-UHFFFAOYSA-N 426.521 1.170 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)c2ccccc2)n1 1612212307 GNBDATWLBWCPLD-KRWDZBQOSA-N 438.513 1.851 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1612942929 GYHILOPFDANADM-FTFAEBDGSA-N 444.536 1.702 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613337158 BJQDWPYJRRAERT-KUOYXJDGSA-N 427.509 1.129 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)CC2(C#N)CC2)CC1 1616098618 IYABVJUSOOBTGY-HNNXBMFYSA-N 425.507 1.044 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CN3CCOCC3)C2)s1 1617535005 MPDTXQIHAYHRKO-INIZCTEOSA-N 427.592 1.326 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1617800299 MPORUMVPUAYZRF-UHFFFAOYSA-N 444.561 1.745 30 10 IDEE COC[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619721734 MLVAAIAERZIYME-JHBCHSCWSA-N 437.504 1.263 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1c(C)nn(C)c1C 1620019325 MGSVDTUHRXFYHH-IEBWSBKVSA-N 442.568 1.577 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCS2)c1 1620150200 GZHCCFIJYJBYQC-JKSUJKDBSA-N 433.559 1.973 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)C1=O 1621997116 CMVAKDWJPUOKSX-UHFFFAOYSA-N 425.363 1.563 30 10 IDEE C[C@@H]1CN([C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)c2c(F)cccc2Cl)CCO1 1624769215 CNROFUHDUYARFL-MLGOLLRUSA-N 449.870 1.191 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)[C@H](C#N)C1 1624819237 GJPGGQSEIRSCFA-QZTJIDSGSA-N 428.489 1.648 30 10 IDEE Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cn1C 1627025508 DPGZBZDSHORXGU-UHFFFAOYSA-N 426.458 1.705 30 10 IDEE N#Cc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1F 1628481515 DBMXGEPSIWJXLY-UHFFFAOYSA-N 446.508 1.044 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC3(CO)CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O 1629715928 GMYSYDSJDGAYCD-UHFFFAOYSA-N 443.500 1.960 30 10 IDEE N#Cc1cn(CCC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c(=O)nc1O 1629794419 FTABXMQYFRFOSX-UHFFFAOYSA-N 431.758 1.473 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 1631474259 SRPOOFLRBAPRDX-HXUWFJFHSA-N 433.512 1.916 30 10 IDEE N#Cc1cn(CC(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c(=O)nc1O 1635763965 CIUIWFUKXHIHKI-ZDUSSCGKSA-N 426.383 1.093 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1637032981 FLRKXEICMNQILJ-OAHLLOKOSA-N 441.554 1.571 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)cc1 1637770209 UZMNRGSQBWXZIV-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 1641788110 RMVGIIXNZXBVML-UHFFFAOYSA-N 437.525 1.662 30 10 IDEE C=CCn1c(SCC(=O)N2CCO[C@@H](CC(N)=O)C2)nnc1-c1ccc(Cl)cc1 1642083091 SGLDSXXBTXVJJQ-HNNXBMFYSA-N 435.937 1.979 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1 1643959711 PBAYVYJLRNJOHA-UHFFFAOYSA-N 433.530 1.822 30 10 IDEE COCc1ccc([C@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)o1 1645043156 KEGVDMBZCMOUAQ-QGZVFWFLSA-N 433.486 1.750 30 10 IDEE CO[C@]1(CO)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1647428134 APSUUZLSCFUBIE-GAJHUEQPSA-N 430.549 1.829 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1649584716 QRQMUEHGLAOAOL-HKUYNNGSSA-N 438.532 1.995 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 1653704248 ZFBNHKHOBOOXID-DLBZAZTESA-N 446.388 1.759 30 10 IDEE N#CC1(NC(=O)CN2CCNC(=O)[C@@H]2c2ccc(I)cc2)CCC1 1654986525 HAWRECHPBOWBQZ-HNNXBMFYSA-N 438.269 1.327 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(OCC)nn3)CC2)c1 1664611493 FDTAXVXWAGUCHU-UHFFFAOYSA-N 431.518 1.302 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1674574386 DOPZHQOSOYOIOI-UHFFFAOYSA-N 427.427 1.728 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCCC1 1680664717 DVGVTMPWDGUMJB-FTRWYGJKSA-N 440.566 1.650 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 1687340103 GGZJDJKLDJOMQV-UHFFFAOYSA-N 445.520 1.680 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@@H]2C)c1 1689872262 SUDLDWYTJXWBHL-YXJHDRRASA-N 427.530 1.817 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1689946350 POZBJBKTBMLYMB-IAGOWNOFSA-N 446.577 1.493 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1689966646 YBCKGRFPPASJSD-LJQANCHMSA-N 442.545 1.404 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1689977673 ALJRMXICGHDFOJ-CVEARBPZSA-N 439.607 1.186 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCNS(C)(=O)=O 1690003701 VCXVEFZVGDWQNA-UHFFFAOYSA-N 436.541 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@H]2C)CC1 1690142854 VICAXOBYBOWFLK-AEFFLSMTSA-N 425.537 1.317 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690169582 HJDSQSLVKWWSOR-FQEVSTJZSA-N 442.637 1.650 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@H]1CO 1690189257 WOJBVAPSHPVHIE-WMZHIEFXSA-N 428.581 1.743 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690331196 SGUOJTOTALJWIX-KGLIPLIRSA-N 426.905 1.227 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1690363997 GVTAZHHFSPXOGI-HUUCEWRRSA-N 442.586 1.958 30 10 IDEE C=CCC(C)(C)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1690439894 RUHQMGSYPINPTB-YVHKJVDXSA-N 436.553 1.893 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)C1 1690699541 GKHAGFFPIXDDNO-RTBURBONSA-N 432.546 1.502 30 10 IDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1693854527 GCYLKDSJVAECDP-AZUAARDMSA-N 440.548 1.801 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1696989522 CTTGUFKXWPHHKE-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE COCCN(C)CCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698026795 FPKYRPAGHBQCIJ-LJQANCHMSA-N 441.536 1.633 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1705539186 LLUHYMAUPKAPAE-XXBNENTESA-N 444.580 1.926 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705563371 WGGPKJURPADRRK-AZUAARDMSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705571076 WMPXUPKJEDJMQC-YZGWKJHDSA-N 443.573 1.563 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1705598748 PVMXOVNSSKYUKV-XMSQKQJNSA-N 444.557 1.761 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705652480 AVJVPZZRCISRSU-QGZVFWFLSA-N 432.594 1.525 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705728974 GIBWDNQBROWFHQ-UHFFFAOYSA-N 447.584 1.691 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1705740494 NDQBGNRKVXKGJP-UGKGYDQZSA-N 446.552 1.834 30 10 IDEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1705745069 ZKIKJBCGXRXFRH-OALUTQOASA-N 432.546 1.950 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC[C@H]1C 1705932697 IPPHCQWGCXZKJH-OAHLLOKOSA-N 434.518 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1705935520 UTBUEVOZPHYOKZ-GOSISDBHSA-N 449.552 1.130 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(F)CCC1 1706887589 NQAVXTLXLQOLGO-HOCLYGCPSA-N 439.561 1.347 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1710838578 LLGSCHAZDBLABG-LEWJYISDSA-N 440.548 1.515 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1711019489 FAJOAGORKIGAHX-QGZVFWFLSA-N 444.561 1.713 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712352454 OHYAONCBAJOYAA-VXAPJYQHSA-N 430.509 1.171 30 10 IDEE COCCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1712490787 XTWOJCVMGSUOFQ-UHFFFAOYSA-N 427.534 1.915 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1722353259 NLAXDWFVHFSEHI-OAHLLOKOSA-N 438.463 1.559 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722371192 URDBYQMBVNGHMJ-LWYYNNOASA-N 449.621 1.877 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CCN(C)C)CC1 1722430274 CROVRSCSBRUMPO-UHFFFAOYSA-N 441.580 1.739 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1722437678 VVLKBKBMZXTMHZ-MSOLQXFVSA-N 438.532 1.461 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](OC)[C@H](OC)C1 1722493822 KHMZFQYEILFXFX-XQLPTFJDSA-N 431.331 1.761 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722625575 XAODFHDQFATIHF-ICSRJNTNSA-N 427.553 1.875 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722629816 YSFYCUIFFBVZFL-UHFFFAOYSA-N 439.520 1.377 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCOC1 1722675643 PYDPBJSBLBGFFM-QFIPXVFZSA-N 438.488 1.905 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(C)(=O)=O)C1 1722721683 KRZGMWQSVKQJAO-AWEZNQCLSA-N 441.504 1.478 30 10 IDEE CC(C)C(=O)NCCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1723073998 WYLPOYTWQVLWNB-QGZVFWFLSA-N 439.568 1.941 30 10 IDEE CC(C)CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1723436263 ADOHEUANNAOZIZ-MRCUWXFGSA-N 443.552 1.798 30 10 IDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCC1 1724040712 JJJWOHMOXXKSBI-QGZVFWFLSA-N 436.582 1.931 30 10 IDEE C[C@H]1CCCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1726545266 GTJHQMUSBMVLPA-YJBOKZPZSA-N 448.549 1.750 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1729107023 BJDBWIFOQKLJML-GOSISDBHSA-N 438.532 1.962 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1740554132 WRCKWVDOJOEGCO-NVXWUHKLSA-N 426.546 1.996 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1740618197 DSYMTMNWDDREGY-WIYYLYMNSA-N 427.530 1.604 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740624149 GHRYXYGZLPHXJP-QZTJIDSGSA-N 434.587 1.982 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1740625731 SKSCABICTFVNTO-KRWDZBQOSA-N 442.607 1.072 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1740645726 KVLOQWMGWCREQU-KRWDZBQOSA-N 448.593 1.142 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740795628 ZNKMEEXRWDDRBH-WMZOPIPTSA-N 431.541 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(N)=O)C1 1740959506 XYUFVOJKTDNADS-MRXNPFEDSA-N 435.488 1.604 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1741128591 YVAKFLZOTKYZDL-OCCSQVGLSA-N 425.449 1.258 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H]1C 1748344141 ASBLFMNSLXRNFU-HNNXBMFYSA-N 425.493 1.620 30 10 IDEE CO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C(F)(F)F 1748402752 JCOROHRFYUPOGP-DGCLKSJQSA-N 438.476 1.596 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1748812743 ZQZCREATPSJYOG-NVXWUHKLSA-N 434.591 1.449 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1748817678 NZFBRTXXLOJTLJ-FQEVSTJZSA-N 443.573 1.352 30 10 IDEE C#CCN1CCN(c2nnc(C3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1748990020 FTEABJYXQZOIKX-QGZVFWFLSA-N 426.487 1.564 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1 1749053370 HOAXWXSLZIRAOL-FOIQADDNSA-N 431.566 1.390 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749218218 IJPAMSIZWBYLKX-UHFFFAOYSA-N 449.515 1.930 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749275410 AURTWLHJEMLEBI-CVEARBPZSA-N 438.960 1.521 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(C)c1 1749650938 JTOGELSSRAYZOJ-WMZOPIPTSA-N 446.577 1.840 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749725464 VJDHIHAFNIFLTR-RBUKOAKNSA-N 443.573 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1749735446 STEFMNLNYZGADB-UHFFFAOYSA-N 437.610 1.916 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1751094213 GGKSTNLVBFLSTK-NVXWUHKLSA-N 440.533 1.548 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)N(C)C 1760101643 UHUBRCGLFCAWIB-HNNXBMFYSA-N 445.593 1.873 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1760185778 DHGFYOBTTDFBBZ-GOSISDBHSA-N 429.546 1.251 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1760261824 CVTCLZDLENEEHZ-LJQANCHMSA-N 447.509 1.903 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1760262110 ZYIWXPNJLGQGET-OAQYLSRUSA-N 449.603 1.676 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@@H](C)C2)CC1 1760264905 HSFMNWRGJPCMDA-IRXDYDNUSA-N 430.553 1.197 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1760291885 GYYNIUYIUFMCOX-OAQYLSRUSA-N 429.546 1.981 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC)C1 1760306481 DMIPIYQTJCIQNO-LBPRGKRZSA-N 440.298 1.766 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCN2CCCS2(=O)=O)C1 1760549624 INYGIMUESWBIHI-HXUWFJFHSA-N 445.589 1.880 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760552193 FTVHUVYADNWQSS-SFHVURJKSA-N 447.609 1.090 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1760552842 CEMHMDDSBPWJNL-IBGZPJMESA-N 433.465 1.717 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760847905 IHEKSOHNVRRWJJ-KDURUIRLSA-N 440.504 1.453 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N 1761579910 FAHLICKWQITMGJ-OAHLLOKOSA-N 427.509 1.832 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1764982920 BHSGDHICFDEFRQ-UHFFFAOYSA-N 427.553 1.980 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(C#N)o1 1770218564 XRBRTWJFBYXYOQ-KSSFIOAISA-N 436.463 1.902 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 1852830021 BIZAHUWTTHYCED-DENIHFKCSA-N 441.528 1.972 30 10 IDEE Cc1nc(C(=O)N2CCC[C@@H](n3ccc(=O)n(C)c3=O)C2)c(C#N)c(C)c1Br 1852982003 ZONKWJXNYXHULT-CYBMUJFWSA-N 446.305 1.670 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1854288016 ZRIPALKIZPDNGK-IEBWSBKVSA-N 432.546 1.450 30 10 IDEE COc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857038447 CUVFWVISPYNAIY-SFHVURJKSA-N 433.530 1.487 30 10 IDEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862592828 KYNQHJFLQIAQDF-IBGZPJMESA-N 438.436 1.893 30 10 IDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866627118 JRCZAZGHVIEKIV-IBGZPJMESA-N 442.497 1.218 30 10 IDEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870386833 GKYQBZSKBNGFML-QFIPXVFZSA-N 447.963 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2025607973 YHSSMTRPAJIWBA-CQSZACIVSA-N 425.335 1.696 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2124534039 GUYYVFJVWQYQTG-ZFWWWQNUSA-N 448.329 1.739 30 10 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CN(Cc1ccccc1)C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269045174 IDKSZBXKUZSBAX-KRWDZBQOSA-N 440.309 1.091 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)cc2F)OC1(C)C 2282325313 CSRFPWKUOLEYFQ-CYBMUJFWSA-N 427.303 1.508 30 10 IDEE CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(c3nccc(C#N)n3)CCO2)n1 2296587774 PFQHZRSOPPQVSS-GOSISDBHSA-N 430.472 1.548 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)c(OC)cc1OC 2330770418 HRGUMRNMQWCNJA-UHFFFAOYSA-N 437.478 1.087 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccccc1Cl 72443772 QTGZPMPNWXVWKK-TZMCWYRMSA-N 426.864 1.349 30 10 IDEE COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254500887 MVVZHBNGUZMTNL-YOEHRIQHSA-N 426.560 1.999 30 10 IDEE Cc1ccccc1-c1noc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)n1 301328328 CMQMZUYOYIZKGO-UHFFFAOYSA-N 438.513 1.886 30 10 IDEE COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)[C@@H](C)n1cnc(C#N)n1 409864058 JKJGUVBGGMPWAZ-YGRLFVJLSA-N 445.277 1.855 30 10 IDEE N#Cc1cc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1OC(F)(F)F 442199699 JQRFNQCJOWJDIR-UHFFFAOYSA-N 441.410 1.465 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCC 447778072 HWDHOICHPSBGFQ-UHFFFAOYSA-N 435.553 1.925 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C#N)cc2)cc1 460258720 FFLGUONDQBNUJI-UHFFFAOYSA-N 430.486 1.332 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)CC1 467370035 NSJWJHCSIXXVTO-UHFFFAOYSA-N 444.927 1.645 30 10 IDEE C=CCNC(=O)CNC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 474458932 VVFCFDJYCYFGNX-SJLPKXTDSA-N 430.505 1.272 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C#N 489815890 DHIFUJUHNBMEHY-GOSISDBHSA-N 446.504 1.397 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)Nc4sccc4C#N)CC3)C2=O)n(C)n1 506598685 YVLDICYPCQGOFI-QGZVFWFLSA-N 441.561 1.413 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 511360581 OHVQNODDWWSOBK-GFCCVEGCSA-N 436.353 1.413 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC(F)(F)F)CC1CC1 514971576 ALNBDKNOYJZFTP-AWEZNQCLSA-N 437.488 1.966 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 515631468 YCJPLHLAYHPVQP-UHFFFAOYSA-N 444.556 1.697 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 531148174 XZAZFJAURLSSFT-UHFFFAOYSA-N 445.497 1.630 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)O)cc3)CC2)c1 547909670 NHJZEYNTQRWGSL-UHFFFAOYSA-N 443.525 1.807 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)C1=O 565442354 CNFLMCHWMVDFAU-PBHICJAKSA-N 438.406 1.332 30 10 IDEE COCCN(CCC#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 610491838 MMGMPYTVQBVSRR-UHFFFAOYSA-N 446.323 1.191 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)CC1 613512726 PFIMWJZCPMWFME-FQEVSTJZSA-N 430.549 1.287 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCN)cc1 703979485 PFJFJJQJIKSIJU-INIZCTEOSA-N 425.510 1.664 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2c(C)cc(C)nc2O)C1=O 726115563 QXHBKCNWQXCGEV-NPNYCVGBSA-N 427.530 1.978 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 729330716 ICFJILXYJRVHGO-OAHLLOKOSA-N 443.502 1.326 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H](C(=O)N(C)C)C(C)C)nnc12 729693806 DVJVFYBODHFXMJ-QGZVFWFLSA-N 443.529 1.978 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC1CC1 730142216 QICLCEPRNGRXDI-KRWDZBQOSA-N 431.562 1.273 30 10 IDEE COc1ccc(C(=O)C2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732465552 HLVRIYMLEDTTRE-XUTLUUPISA-N 426.473 1.826 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CCN1C1CC1 732709062 ZEYMCFGLXPFLHC-IBGZPJMESA-N 433.516 1.809 30 10 IDEE C#CCOc1ccccc1CNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 734171253 GTOGCMZZSUWMIW-UHFFFAOYSA-N 442.541 1.639 30 10 IDEE CCC[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCc2sccc2C1 735856346 FZEYBWCJOXRDGG-FZFLATATSA-N 430.530 1.834 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H]1CCOc2ccccc21 742144670 RUXCXEZBGPNQEK-SFHVURJKSA-N 435.505 1.904 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 742893529 WACAXRMYAXYGLR-TXCZRRACSA-N 432.546 1.265 30 10 IDEE Cc1ccccc1Cc1nc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 751622080 AATZNIFWRZVLPI-UHFFFAOYSA-N 426.454 1.862 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1 763937662 NRPNNUMGLYCCBB-OTUOZYHDSA-N 435.506 1.558 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 774148480 NIBREWWNVBXSKE-HXUWFJFHSA-N 448.589 1.039 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774201548 RASIPKJRFBVCFT-DOTOQJQBSA-N 440.363 1.860 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774580028 ANYLUCXFRVHRKE-OIISXLGYSA-N 443.529 1.262 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc21 787568239 ALZZJUJAJGTIKG-UHFFFAOYSA-N 445.479 1.948 30 10 IDEE C#CCn1ccc(CN(CCOC)c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 788559569 HSDYRFHMOOTTEH-UHFFFAOYSA-N 427.461 1.550 30 10 IDEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(c2cnccn2)CC1 790211689 FLUBINADWMFMPK-UHFFFAOYSA-N 428.518 1.033 30 10 IDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2-c2ccsc2)CC1 790434410 QGWKFUCVFNMRCZ-UHFFFAOYSA-N 440.550 1.221 30 10 IDEE C=CC[C@@]1(C(=O)O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 791717063 OZVMHGREGGXWOI-NYHFZMIOSA-N 437.537 1.988 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC2=CCCOC2)C1=O 807934791 AKKKJWCBYMCWNH-IPQBESIJSA-N 445.589 1.339 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807941742 UPPQQPNWNFIPKR-MELADBBJSA-N 441.504 1.743 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)CC1 812274090 UHQXBZVEUZRPEA-IBGZPJMESA-N 438.488 1.998 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)ccc1F 820175287 WVKKJNMPCXZIHR-GOSISDBHSA-N 436.509 1.657 30 10 IDEE CSC[C@@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916775213 KZOIWOGWMNSHON-BBWFWOEESA-N 449.554 1.411 30 10 IDEE N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)CC2)c1 917870631 SIEQZOUORIMUSA-UHFFFAOYSA-N 439.419 1.965 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256346 BFCKLWUNPLBSRX-QGZVFWFLSA-N 435.569 1.729 30 10 IDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 1084338316 BHJKODVTRIKDFX-UHFFFAOYSA-N 427.446 1.603 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)cc1 1125155778 OUNQWKWUQOJAGC-HNNXBMFYSA-N 431.518 1.608 30 10 IDEE C#C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C1CCOCC1 1131469748 XWTSQQAAZXCQGC-CVEARBPZSA-N 438.502 1.154 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1132193443 ZIDXVHPJJAXREA-MGPUTAFESA-N 437.880 1.653 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)cc2C1=O 1133340966 WVLXYCZMNUMNSK-UHFFFAOYSA-N 425.422 1.447 30 10 IDEE C[C@H]1CN(Cc2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@H](C)O1 1136209325 GJTSWQIGUUTQQM-HOTGVXAUSA-N 425.489 1.136 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N(CCC#N)CCN3CCOCC3)=NO2)C1 1136458260 YULDOWGXRLKSHX-JOCHJYFZSA-N 449.552 1.607 30 10 IDEE C[C@@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1167523394 BMXZDRBMNZWUKX-GJZGRUSLSA-N 433.509 1.610 30 10 IDEE COC(=O)c1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(F)c1 1167814497 BQZKOZKOUBIHSN-LBPRGKRZSA-N 433.461 1.746 30 10 IDEE CCC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)c2ccccc2)CC1 1178757999 YEOQBNNCFCZABW-AVRDEDQJSA-N 429.542 1.716 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H](F)C1 1181756944 NQFXQWZRAVLXIT-JKSUJKDBSA-N 440.497 1.300 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1192633997 CTXKPIOMGHBIHY-RISCZKNCSA-N 434.392 1.692 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCC(=O)NC)CC1 1286475328 WZMVHYLKULXIMW-UHFFFAOYSA-N 445.365 1.907 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCOCCOC)CC1 1286489370 QCLYSLPIJJMFMA-UHFFFAOYSA-N 425.533 1.882 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1286509645 VKFREVASLBBOQK-IRXDYDNUSA-N 441.623 1.604 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286704862 HSMIGKLLDPNQSS-UHFFFAOYSA-N 432.569 1.990 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1286756261 JMPXVSWTDQUTHJ-UHFFFAOYSA-N 445.487 1.925 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCSC(F)(F)F 1288803706 DZVJBTBHETUIPJ-JTQLQIEISA-N 426.490 1.881 30 10 IDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1297452741 NFTCGDGPIWMIOL-RTBURBONSA-N 427.505 1.994 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)C[C@H]1O 1299412641 RYMARYZPGYSWKM-RTBURBONSA-N 427.505 1.730 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1300465865 RNUOIMDMUCEPOK-AWEZNQCLSA-N 429.468 1.938 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1300633239 FDDIOHPLIFRBIE-UHFFFAOYSA-N 425.533 1.814 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)N2CCCCC2)CC1 1300680729 CYTHXSYSQJQDIB-HXUWFJFHSA-N 427.597 1.534 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CCc2ccccc2)CC1 1301506256 IATNJENMSAHZIV-UHFFFAOYSA-N 445.571 1.931 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1OC 1301586469 SZXVZLKNCDQEOW-MRXNPFEDSA-N 433.534 1.475 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1301916989 PSQGGNLDQMVAGQ-UHFFFAOYSA-N 430.534 1.356 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cnc2ccccc21 1302100028 WOMWHJQKJVPQGY-IAGOWNOFSA-N 425.493 1.781 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1303772166 WEVQRZBINLWHBM-JCGIZDLHSA-N 433.534 1.226 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1312543358 NNECRFTXEDMNNE-MVBPIPQGSA-N 429.502 1.223 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 1314901097 VKRPPONWIBNNDW-VFNWGFHPSA-N 440.458 1.604 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1316264549 MMNSYNFZGIMZDT-GOSISDBHSA-N 433.534 1.493 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)F)CCO1 1316541249 UOMNNZXAOWKTDI-LBPRGKRZSA-N 426.449 1.628 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)c1 1357761234 MIEUTNPCTZSPCP-TVJQZGFISA-N 445.538 1.745 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1358952723 VOPLKVANTOGINT-UHFFFAOYSA-N 429.525 1.503 30 10 IDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358957120 QAUGHYVCZXFHTB-HZPDHXFCSA-N 448.520 1.709 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1358964709 FLGRJFZSQFJQKT-SFHVURJKSA-N 431.562 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2sc(C)nc2C)CC1 1359040166 KJHBOEQFJUKZKN-UHFFFAOYSA-N 443.577 1.504 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1359237545 CXOGNZDRHCNRMN-UHFFFAOYSA-N 445.549 1.407 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1452937356 AKKXMDOQPYHTPX-SFHVURJKSA-N 426.542 1.916 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1453582051 KYLJVOVKUUJSKO-UHFFFAOYSA-N 443.525 1.607 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 1466978941 NDGOPXJWUXNWLC-NRFANRHFSA-N 426.498 1.491 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](CS(C)(=O)=O)C3)C2)C1 1468357900 UEGREQLWCQZLEQ-JQCXZVQFSA-N 425.551 1.666 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc1ccc(CC#N)cc1 1469415504 YIPJIVOVNVJUPL-LJQANCHMSA-N 443.525 1.611 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[C@@H]1C(F)(F)F 1470101949 FUQQKKDVWVNWND-NWDGAFQWSA-N 431.419 1.637 30 10 IDEE C#CCN(C(=O)NCC1(S(=O)(=O)N(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1471360027 KLLFAPDNBKEJAL-UHFFFAOYSA-N 442.582 1.455 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1cc[nH]n1 1471723331 CTVGMGJWUTVPGJ-BTYIYWSLSA-N 449.508 1.742 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1S(=O)(=O)NCC#N 1472370141 APYNPWONDUWPJY-KRWDZBQOSA-N 448.545 1.926 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1503227619 APYQFNMKVVPYMP-FQEVSTJZSA-N 441.532 1.990 30 10 IDEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cn1 1503657438 FVRFUSBDCYNMTC-GOSISDBHSA-N 425.518 1.612 30 10 IDEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503816202 CDCLCEYNLUAUSX-HXUWFJFHSA-N 448.531 1.725 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)C(=O)C1 1507570492 POPZRVNTKVHDMM-UHFFFAOYSA-N 426.546 1.884 30 10 IDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507577212 PUQVSYUUEMRKRH-MRXNPFEDSA-N 440.504 1.598 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1507673076 PAOUKYLJHOQIIM-UHFFFAOYSA-N 440.529 1.575 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)O 1507707412 WHPMNNARBADWMW-UHFFFAOYSA-N 435.550 1.052 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507760656 CNQSKRJYDXUGPC-YSZBQJHXSA-N 445.564 1.417 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1508090321 HUFYRIWOIUEASY-INIZCTEOSA-N 441.492 1.319 30 10 IDEE C#CCOc1ccccc1CNC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1521849341 HRALCGCIGKOXGW-UHFFFAOYSA-N 435.523 1.447 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cnn1CCC#N 1538449840 VADNHAUPVDWDQQ-UHFFFAOYSA-N 429.502 1.107 30 10 IDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1538861979 NUALRRDSCPAVAL-FQEVSTJZSA-N 437.500 1.732 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(=O)N(C)CC)c1 1539040616 YZTBDFUIGBNVGA-UHFFFAOYSA-N 432.488 1.270 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539219786 FJTMJSGGAHRZDF-ROUUACIJSA-N 432.521 1.986 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539258208 UFKXQBLAYTWHJR-QGZVFWFLSA-N 433.438 1.461 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1539491812 WQGRXFAVOCMDON-INIZCTEOSA-N 442.593 1.704 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1539758610 PLXOEQKVLNJYQY-UHFFFAOYSA-N 432.569 1.877 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539823875 LGWGATAYLVDJOI-HOCLYGCPSA-N 447.989 1.663 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(=O)(=O)CC)C1 1540886507 FBAPSWFINSEXAX-OAHLLOKOSA-N 440.957 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCOC1 1540907316 SBEURRCZYYHPMX-SFHVURJKSA-N 436.582 1.603 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540907941 NEJRQYNAOLQYHM-FQEVSTJZSA-N 427.534 1.561 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1541158019 JFRWZFKWXQFXGV-UHFFFAOYSA-N 425.537 1.833 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)C1 1554531456 GDLQHOHUNVMGDV-LJQANCHMSA-N 438.532 1.927 30 10 IDEE COC(=O)c1cn(C2CN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2)nn1 1556139996 RANWQDXHWSYLIM-UHFFFAOYSA-N 426.282 1.369 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)c1 1561921011 SKFZLKFUUFXKFN-INIZCTEOSA-N 431.518 1.354 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1566153619 FVWWHLHWGZQYTM-DNVCBOLYSA-N 438.337 1.952 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)ccc1F 1569354587 BMZYMAOQRXUCSS-GOEBONIOSA-N 431.489 1.711 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 1570674019 PVBDKJZWHRAABR-AWEZNQCLSA-N 427.482 1.597 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ncccn2)CC1 1585200807 UNXXZFVEKNGDGB-INIZCTEOSA-N 438.960 1.751 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NOc3cccc(C#N)c3)cc2)CC1 1587205571 YXSIPJZDOUMAAG-UHFFFAOYSA-N 428.470 1.135 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1588035776 XTMUSJRUXNRMBN-BBWFWOEESA-N 442.607 1.382 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1588233954 XACRKWJQEOOXBS-FQEVSTJZSA-N 445.483 1.407 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1588872210 ZDLSPCGGKJKHGL-LEWJYISDSA-N 425.533 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccco2)CC1 1588913185 BITFKSRBEIVQOY-QHCPKHFHSA-N 434.500 1.807 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1589070232 QWPJZKQLZWIZCD-ROUUACIJSA-N 438.619 1.800 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1593741617 SZURUNDPJIBWDG-MRXNPFEDSA-N 431.566 1.913 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1595569198 BUCCSLLYKAOMCN-UHFFFAOYSA-N 447.543 1.412 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1595577622 YVTUFNZGSONNPR-JOCHJYFZSA-N 427.505 1.463 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC)[C@H](C)C1 1595593357 BNMMTBKYIFAGFD-QGZVFWFLSA-N 428.537 1.698 30 10 IDEE CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1597951682 UUUCAIUEBUOOLN-MRXNPFEDSA-N 439.534 1.664 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@@H]([C@@H]2CCCO2)C1 1611057569 ZPCFOGGBKRPOHP-LFGUQSLTSA-N 425.485 1.870 30 10 IDEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 1612988914 AJQVMHNEWTVFQK-HDICACEKSA-N 437.548 1.642 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c(F)cccc1-n1cccn1 1627729120 GSRGKGTXFVHMKA-CQSZACIVSA-N 427.461 1.866 30 10 IDEE C=C(CN(C)C)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1631735621 JVUAJSTVJIDNRX-UHFFFAOYSA-N 426.539 1.546 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c(OCc3ccccc3)c(F)c2)CC1 1632965927 GSCNIUFOUGIMMT-UHFFFAOYSA-N 449.479 1.769 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1 1636251617 WJAFHQDJQSCSRR-QGZVFWFLSA-N 435.546 1.973 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1644429547 WSIFHCFZRXRCGW-UHFFFAOYSA-N 432.542 1.667 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCOc3ccccc32)ccc1F 1644685775 ASJGUULIFNRAGW-UHFFFAOYSA-N 433.461 1.445 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(F)ccc3I)C2)c(=O)nc1O 1648787555 SBVAWZCIWCEGSS-UHFFFAOYSA-N 440.172 1.261 30 10 IDEE CCN(CCC#N)C(=O)CN(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1654258289 IFBKDTJRZMTOJE-SFHVURJKSA-N 437.585 1.928 30 10 IDEE C#CC[C@H]1CCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1679492168 LWQBSBUXIATYLA-INIZCTEOSA-N 435.546 1.912 30 10 IDEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1680092663 IBTFBQPIRKBALJ-UHFFFAOYSA-N 443.529 1.405 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689989857 JDNKGJVUZQSCBZ-HZPDHXFCSA-N 449.602 1.670 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1690102298 HWDJURUZQQLHOG-DENIHFKCSA-N 449.621 1.814 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690129071 OJPKOKNIWBNBPA-JGCGQSQUSA-N 448.596 1.946 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1690464540 DRIVWSHUPNPBRD-HZPDHXFCSA-N 429.612 1.909 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1690485036 JXTJPGKQOUWNOY-GOSISDBHSA-N 440.614 1.544 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1690508511 KGINXBLWRZPTMX-MRXNPFEDSA-N 441.554 1.051 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)C1 1690696391 BCUJZRJVKGNJPH-HZPDHXFCSA-N 437.566 1.368 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CCO1 1690965394 BUIDGOFRUHZNCF-YTQUADARSA-N 428.468 1.601 30 10 IDEE CC(C)N1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1692495059 YDJXOMOJFNOFIK-VZCXRCSSSA-N 438.536 1.720 30 10 IDEE CN1C[C@@](C)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1696874035 BHLFNLWXTOBGGT-UWJYYQICSA-N 442.545 1.167 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566296 MHCCOWCLDQNAGJ-RBUKOAKNSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705572052 PQHFJTLUXXACKU-QZTJIDSGSA-N 432.550 1.123 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(NC(C)=O)c2)CC1 1705634642 FARNRZPXZBKFEL-GOSISDBHSA-N 440.548 1.764 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1705635028 PGWQUGCLLMYBCZ-URXFXBBRSA-N 444.624 1.950 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1705677010 XSSCTRCFEWKHNJ-HSZRJFAPSA-N 438.507 1.962 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1705692628 OLLPWXKNFRODFA-KSSFIOAISA-N 442.358 1.894 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC)CC1 1705705441 HTLINXYYHSUWMI-UYAOXDASSA-N 425.537 1.707 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1705929123 ZYIIVSKQWOBZJS-PKOBYXMFSA-N 447.561 1.889 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C1 1706021120 FXGPCBHSDBKFBB-HXUWFJFHSA-N 433.520 1.683 30 10 IDEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1706154023 HQZUBLFXPWADRX-UHFFFAOYSA-N 444.561 1.602 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1712633386 QIIVKPNJXPKFHG-SQNIBIBYSA-N 437.566 1.567 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1722350071 KUKPMRIQIHCLAR-XDOYNYLZSA-N 442.483 1.727 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OCCO)c(OC)c1 1722354059 YRZKKEKDDNVNEN-UHFFFAOYSA-N 439.472 1.503 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722366299 QWGCCIKVTBPIGM-CVEARBPZSA-N 425.555 1.517 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 1722403055 KTHYFPLDHOBYOK-UHFFFAOYSA-N 438.576 1.881 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722435696 SCBUTQPQEPYBKH-QGZVFWFLSA-N 446.552 1.121 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCOCC2)CC1 1722435815 UIUFAUUCYVSLAP-UHFFFAOYSA-N 442.951 1.603 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722598293 CGEDHMWLNMVYHA-INIZCTEOSA-N 431.541 1.539 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1722630157 WUEFXDDWIKRRPD-ZDUSSCGKSA-N 441.476 1.202 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)C1 1722719023 PQSKNHXGBVDVBR-IAGOWNOFSA-N 432.550 1.303 30 10 IDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CCC2)CC1 1722798376 CHUWVOXEZUWHIP-UHFFFAOYSA-N 437.548 1.882 30 10 IDEE CCOCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccc(C#N)o1 1729060246 CIBZXUMINCFRMZ-UHFFFAOYSA-N 429.525 1.318 30 10 IDEE COC[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730453080 DXHSJRLFKWSKJB-MSOLQXFVSA-N 447.547 1.923 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1740554090 WBMDMYJXKCINSP-APWZRJJASA-N 449.552 1.841 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1740600914 PROVKDRFLCVSRP-HNNXBMFYSA-N 433.582 1.678 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740620527 WYTCRACHYOZYDU-FQEVSTJZSA-N 449.540 1.708 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1740646951 MDDNISXHTOKNLK-WZONZLPQSA-N 427.549 1.696 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1740695256 KURCDMGHVPQGKZ-UHFFFAOYSA-N 448.575 1.423 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NCCC)CC1 1740698199 UOGIEAHISGFQIZ-UHFFFAOYSA-N 425.493 1.525 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ncc(CC)s2)CC1 1740705957 OUNXLWHWXHLWTA-MRXNPFEDSA-N 428.562 1.815 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1740717548 VOUNXPOWMRDQTQ-QZTJIDSGSA-N 437.635 1.611 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740718534 PZBLXVAVEOUKOU-HZPDHXFCSA-N 427.596 1.057 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740719363 DADJMPRMJYFWOG-UHFFFAOYSA-N 440.617 1.640 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740761865 ZHQCQZIWPJOTEI-YQVWRLOYSA-N 425.599 1.928 30 10 IDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1740893552 OASNYRQQORBLRD-UHFFFAOYSA-N 445.520 1.842 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1740957551 RTKKRUNRBMKXMC-QGZVFWFLSA-N 437.504 1.647 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1740961395 BAJNHRDSSMIVNR-QHCPKHFHSA-N 436.491 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(CC)C1 1740986296 VXLNOMYDGITPKW-IBGZPJMESA-N 425.555 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1740987741 YGEILRQPJAWACW-UHFFFAOYSA-N 435.550 1.796 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1742905243 BXXXXMUHSRYFBQ-JGVYIQDASA-N 426.546 1.785 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CCO1 1748223747 VRCYTIIXAAKADL-LNLFQRSKSA-N 442.495 1.818 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)c1 1748692486 XLXKTXXXQJLGCA-UHFFFAOYSA-N 433.516 1.818 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1748962611 MGRWNKAPPSQHGT-LJQANCHMSA-N 432.546 1.461 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(=O)(=O)CC)CC1 1748999075 HPFJFVSHPCLRBS-UHFFFAOYSA-N 431.562 1.355 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(OCCOC)CCOCC1 1749073267 JJMDQRORTARHRA-JOCHJYFZSA-N 445.564 1.605 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749139193 CIXJPIZOWTUTRQ-LQBOVUBWSA-N 433.553 1.626 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1749659008 RCDSRKAEAVGGSW-UHFFFAOYSA-N 449.515 1.574 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1749663416 DJLMZZCMYDWPHY-UHFFFAOYSA-N 436.520 1.732 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749671877 MGEJFFCKZOEAIG-CVEARBPZSA-N 433.415 1.563 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCCc2ccccc2)C1 1749712638 KDEJUPQSYQUKBM-PMACEKPBSA-N 425.533 1.922 30 10 IDEE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1749842538 OKGNYFGVUIQOGD-DNZUHHBVSA-N 429.525 1.159 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760184496 XVMJHORYMYJVHX-GJZGRUSLSA-N 448.574 1.304 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1760188009 YVAIPCBKZZGDGI-MRXNPFEDSA-N 448.545 1.541 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)nn(C)c1C 1760198961 MAIJQAJKNNIMKV-UHFFFAOYSA-N 426.488 1.392 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1760206171 SLZBDOOCGONXSF-LJQANCHMSA-N 443.529 1.193 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1760211635 KTVDGNQXJSMMKX-ZJSXRUAMSA-N 443.592 1.750 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)C1CC1 1760246051 RHXWJHLHVQHRHU-UHFFFAOYSA-N 425.489 1.329 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC=C)CC1 1760258262 JGSANUQNGOKNKE-UHFFFAOYSA-N 433.965 1.955 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1760262286 WQRCMGGZIPEXLB-IBGZPJMESA-N 437.596 1.733 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760352577 SCXJGLQJLWNXNH-HZPDHXFCSA-N 429.587 1.732 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760426295 MSTNBBNYYVZTFY-UHFFFAOYSA-N 442.568 1.016 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760436177 KVJWKXOZXOYPPE-PXNSSMCTSA-N 426.569 1.634 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCCN2CCCC2)CC1 1760523363 VQTZXYMPTKLSET-UHFFFAOYSA-N 427.553 1.657 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1760557871 YKQHUQJOYWPETM-KRWDZBQOSA-N 431.518 1.555 30 10 IDEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1764221964 BHKVLBPYUIWZIT-SFHVURJKSA-N 439.520 1.759 30 10 IDEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N2CCN(CC)CC2)nc1 1766225533 JLQPZURCHVUYMD-GOSISDBHSA-N 426.569 1.996 30 10 IDEE CCN(CC)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1766643580 JWWABCBBBKTWSU-VZCXRCSSSA-N 427.553 1.993 30 10 IDEE CCN1CCN(CCCn2c(C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1767155814 AHPRRXYSZWCRQG-UHFFFAOYSA-N 440.571 1.952 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1767612669 GJMHXWKOCIRKMA-HXUWFJFHSA-N 431.447 1.160 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCC1 1768659571 FJWVWAROHFEFLD-GOSISDBHSA-N 429.546 1.993 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770133410 ZDKUYUSAGOXMTK-OZNQOIHVSA-N 446.552 1.591 30 10 IDEE COCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1770701085 VGORDAVUIOFMJF-UHFFFAOYSA-N 440.552 1.682 30 10 IDEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1771063365 JWBZTILFXVXAOI-QHCPKHFHSA-N 441.532 1.990 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CCCCN3C(=O)c3cccnc3)CC2)nc1 1851772084 FFXAGHLFFOEPNZ-NRFANRHFSA-N 448.527 1.708 30 10 IDEE O=C(c1cc(F)ccc1C(F)(F)F)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1853335157 XYSVLOWJPCPSDB-UHFFFAOYSA-N 437.337 1.999 30 10 IDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccccc3S(C)(=O)=O)C(=O)C2)C1 1855007068 NRPFUGGKVQWCAF-DLBZAZTESA-N 432.546 1.141 30 10 IDEE COc1ccc(Br)cc1CCC(=O)O[C@@H]1CON(S(=O)(=O)CC#N)C1 1855057634 VOCVNJDGEQVXDN-ZDUSSCGKSA-N 433.280 1.403 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)C1 1856412651 UYMQGAQOPQSJGH-QGZVFWFLSA-N 432.546 1.450 30 10 IDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1856637637 SDCZYECFQDVDCE-QGZVFWFLSA-N 436.578 1.478 30 10 IDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1)CC2 1857213123 CPNPMWOXEKQMOJ-GDBMZVCRSA-N 428.924 1.567 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2OC)cc1 1858965904 SVIYFBRMCAZVNG-UHFFFAOYSA-N 432.454 1.439 30 10 IDEE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868774984 WPNZVVZXBDZMBB-QGZVFWFLSA-N 445.589 1.643 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1 1869025780 AQAAYAFEIZIZDD-INIZCTEOSA-N 425.526 1.930 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N(C)C)cc2)cc1 1870095851 WJFAPKVWKXVGRO-UHFFFAOYSA-N 425.474 1.964 30 10 IDEE C=CCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871470677 RUIXKRAPDYVSCJ-UHFFFAOYSA-N 434.342 1.512 30 10 IDEE COc1ccc(-c2cc(=O)n(CC(=O)N3CC(COc4cccnc4C#N)C3)cn2)cc1 1891483588 KYMOZQIGHMJGNC-UHFFFAOYSA-N 431.452 1.723 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 1902434985 FYIMLUDBFRFOLX-RBUKOAKNSA-N 435.590 1.920 30 10 IDEE C=CC1(NC(=O)[C@@H]2[C@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1910961868 VMLPISFTAYHNJH-QLFBSQMISA-N 441.525 1.009 30 10 IDEE C[C@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1=NO 2108227638 JCIREBHJQGJKEL-QHRIQVFBSA-N 425.482 1.759 30 10 IDEE N#CC1CCN(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)CC1 2118167583 ORXQLMBPUSLGAX-HNNXBMFYSA-N 434.440 1.914 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124542268 BNGVZPNFBSRGSQ-ZFWWWQNUSA-N 448.329 1.644 30 10 IDEE C[C@@H](CCCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255608895 PZVWIHJFFPGOAC-ZDUSSCGKSA-N 437.350 1.538 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2255655951 UBVORVODCVPCIE-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2255680361 QYHBDVOGLCOTMM-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255697617 JMSJETXAPXJTHZ-MRXNPFEDSA-N 425.342 1.461 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255699322 WWHRMPMUIBEIBB-CQSZACIVSA-N 432.330 1.857 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCCOCc2ccccc2)n1 2255799392 HVNZPDWOZFBRKG-UHFFFAOYSA-N 449.382 1.995 30 10 IDEE Cc1c(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834283 MFDQTHOKAYBRMA-KGLIPLIRSA-N 434.346 1.671 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844246 TVRNIBPOESSUNF-SFHVURJKSA-N 427.310 1.426 30 10 IDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 2256600681 KKHGSZJQFKAJTG-OAHLLOKOSA-N 437.346 1.957 30 10 IDEE CCc1nn(C)c(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267144845 BRUUBWSDPCRANH-UKRRQHHQSA-N 448.373 1.925 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267188754 QHWJOATYDSBMDN-YPMHNXCESA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2267278235 ZWJYBXIGQSGAFE-HOCLYGCPSA-N 449.357 1.974 30 10 IDEE 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C#CCN(c1nnc(C2CCC2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507633988 WECGELWTEMYQSQ-SFHVURJKSA-N 445.520 1.950 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507732002 HJCIWQHAVWBPTJ-VGOFRKELSA-N 429.496 1.291 30 10 IDEE C=C(Br)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1507791958 CLZVHXARNXMBOB-BBRMVZONSA-N 449.371 1.462 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1507958088 ZQIYMKUXQZQXJW-GOSISDBHSA-N 429.525 1.209 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508137728 QKYGFUXJGNEVQI-KRWDZBQOSA-N 446.577 1.682 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1508138896 AHBODJLGBJHFPX-GOSISDBHSA-N 433.582 1.344 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1508798473 XUZZEZCQPIIYLZ-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1529946975 VXJNDQHHPMFOCO-UHFFFAOYSA-N 437.518 1.802 30 10 IDEE C[C@H](CC#N)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1531743684 LHFLAONSQBNVNC-CQSZACIVSA-N 428.352 1.917 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(CC#N)n3)cc2)CC1 1536301152 PXLNJNIVPGGTLS-UHFFFAOYSA-N 427.486 1.253 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1539118284 KZOONNLRSFHGMV-DHSIGJKJSA-N 439.946 1.252 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539132833 RPZJSFACARQHHY-UHFFFAOYSA-N 433.582 1.413 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1539260962 WTBBBSXGPHHZAL-CQSZACIVSA-N 443.410 1.680 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)COCC)CC1 1539466761 GBZATLRCOPJRSZ-UHFFFAOYSA-N 432.569 1.445 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539511476 XZKNTFJQUQUQEF-UHFFFAOYSA-N 448.618 1.875 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1540863362 VAFUMNZDSFWVMW-PBHICJAKSA-N 448.549 1.238 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1540870134 FQUYQRRGSSECIB-WCJKSRRJSA-N 446.552 1.578 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCOCC2)C1 1540881919 WVWIXOVTCSEHRT-RBUKOAKNSA-N 432.569 1.264 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCCCC2)C1 1540905507 WURPYZWICDFABK-FQEVSTJZSA-N 444.605 1.929 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1540906795 BRANNPRHDWHOCS-UHFFFAOYSA-N 446.577 1.126 30 10 IDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCS(C)(=O)=O 1541362649 URHWFLKHNWVITK-UHFFFAOYSA-N 447.565 1.056 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1547355864 ACPMCOYJKOUCJH-INIZCTEOSA-N 426.506 1.007 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC(=O)N1 1555546366 UFMLRQYDKJHCPD-VQTJNVASSA-N 438.532 1.975 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCOC(F)(F)F)cc1 1555989329 HJOFOQNEZPOEOG-OAHLLOKOSA-N 435.410 1.957 30 10 IDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1555992907 DPNXJDXIVZERQV-HOTGVXAUSA-N 428.459 1.928 30 10 IDEE CSc1ccc(CNC(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)cc1C#N 1558358759 CSSMFPDPDJNGSS-UHFFFAOYSA-N 438.513 1.631 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1568075929 BZYDQPJWHXZBBT-UHFFFAOYSA-N 429.318 1.745 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)[C@H]1c1cnn(C)c1 1586725212 UVSQMBKPHBWGMV-VAMGGRTRSA-N 432.440 1.608 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045498 LYERAOPOAZWYCE-DLBZAZTESA-N 431.562 1.531 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCNS(C)(=O)=O 1588094270 XFNJEZQWDGODTC-UHFFFAOYSA-N 436.335 1.330 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588263035 OONLZQUNTXASMJ-INIZCTEOSA-N 442.486 1.627 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CC1 1588836371 IDCLJEAFSCYHPB-UHFFFAOYSA-N 436.894 1.659 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(C)COCCO2)CC1 1588955226 RYIDABLREFQAQN-JOCHJYFZSA-N 443.573 1.702 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1593729256 JJPSTOGMCFOKFZ-SFHVURJKSA-N 429.569 1.961 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCSC)CC1 1594096583 FGMHPQOWCWJYQN-INIZCTEOSA-N 429.612 1.911 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1594127631 BZQJHUMZSJOANL-UHFFFAOYSA-N 442.545 1.921 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1594713684 JSRGLMLTXIZWCQ-FQEVSTJZSA-N 431.566 1.906 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1594857801 QIKVVKVBQFGWMU-MRXNPFEDSA-N 433.582 1.822 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)[C@@H]1C 1595577034 HAPXXBVQXVQGBC-KBPBESRZSA-N 434.591 1.902 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1595602256 IBDDVKMLCDLSDV-FRQCXROJSA-N 432.569 1.591 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)[C@@H](C)C1 1596184596 OUFOUKNYAIIBIB-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 1598131969 SMCNILQOXFQVJX-PXARDIRTSA-N 432.546 1.398 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1603004513 KCXCFXAKVDNRAK-ROUUACIJSA-N 448.549 1.749 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CC(=O)NCC(F)F)c1 1620348747 FJDNUIQUURDVFR-UONOGXRCSA-N 432.387 1.312 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 1624283240 HVUXLSSTWJFGKM-JYJNAYRXSA-N 440.525 1.708 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)s1 1626821662 IMEATUXXBLFSGR-QGZVFWFLSA-N 435.527 1.966 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 1630655926 RVCUYUGBVDMTRO-QFBILLFUSA-N 442.560 1.948 30 10 IDEE N#Cc1c(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)n[nH]c1C1CC1 1631863797 FGUKUEOIUIFCGQ-UHFFFAOYSA-N 435.531 1.866 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1633641251 UAZZEUZNZLYVFU-YVINXOLGSA-N 439.559 1.142 30 10 IDEE C=C[C@@H](O)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1633895133 SCIBHJAGXONUOR-QRVBRYPASA-N 429.473 1.366 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1635343604 TYUFQGLGDKJXIA-UHFFFAOYSA-N 439.559 1.771 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)ccc1F 1635426434 SGZGVHHPQTVFHM-MRXNPFEDSA-N 426.510 1.684 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)cn1 1638905826 DGEGCKGCDPVFLR-QZTJIDSGSA-N 437.504 1.252 30 10 IDEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1643403129 HHGRZVKWWQQCNA-KRWDZBQOSA-N 442.545 1.537 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCOC(F)(F)C(F)(F)F 1644887591 RUKOZKRKXAWUHT-UHFFFAOYSA-N 426.310 1.921 30 10 IDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1645772129 PZZXRSIIOODTDJ-UHFFFAOYSA-N 428.938 1.904 30 10 IDEE N#Cc1cn(CCNC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(=O)nc1O 1646148731 VSRHVWQACPAEPN-IBGZPJMESA-N 436.390 1.605 30 10 IDEE C#C[C@@H](NCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCCO1 1654218839 PQSPKKHDANKYDX-UXHICEINSA-N 435.546 1.041 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)CC1 1676177535 ANXBPHQBUNQDJS-IBGZPJMESA-N 447.605 1.356 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1683129710 CXMQCRSRPWFEDB-INIZCTEOSA-N 429.908 1.756 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1687349331 YATRCKIIXASUIG-UHFFFAOYSA-N 428.537 1.591 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689984129 LRYIFPHJFAQZOZ-HNNXBMFYSA-N 437.953 1.781 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689991764 CBLDFFZNJLIXOO-IBGZPJMESA-N 443.504 1.979 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1690001769 RTNXBZAXARGKDJ-UTKZUKDTSA-N 429.546 1.259 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1690092229 AOSRHDASQDBDAF-QFIPXVFZSA-N 437.504 1.022 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)C1 1690661188 WMSJUKFSGMJEAZ-WBVHZDCISA-N 432.550 1.184 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690667310 ZAAGHQXKPYMQBT-HXUWFJFHSA-N 449.559 1.668 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1690669882 RGOPEPCZOQGPRM-GOSISDBHSA-N 436.516 1.631 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690671384 UYHLFCVRGFOBOO-HNNXBMFYSA-N 432.475 1.689 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1690700346 QWYLLJZRCGOMDW-ROUUACIJSA-N 447.561 1.453 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCS2(=O)=O)C1 1690700467 SNTZYLXJOCYAMD-SJORKVTESA-N 425.555 1.337 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690722200 AUESOQIVPQYDJN-PKOBYXMFSA-N 448.593 1.421 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C#N)C1 1690730189 ZONCXWWLJCGABG-GOSISDBHSA-N 445.545 1.749 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690749659 LITXJVBOYPVRLW-IBGZPJMESA-N 439.607 1.335 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1698155790 LPBYKDIVJJSODE-OSCRUYLVSA-N 432.525 1.909 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@H](C)C1 1705556005 IAOWVNQVAOFSJE-CALCHBBNSA-N 430.578 1.838 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1705638340 HGLCFIVKISJFEM-UFYCRDLUSA-N 441.624 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 1705650383 QOIOQNWCPAAJDA-UHFFFAOYSA-N 426.496 1.062 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1705924463 CYVDIJNQQNNICC-UONOGXRCSA-N 438.472 1.888 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2CC)C1 1705929812 YKOFNZRTIMGVTP-OAHLLOKOSA-N 442.549 1.711 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1706075886 UMWWJWDITLSYLM-WBVHZDCISA-N 445.545 1.870 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1c1cnn(C)c1 1706851916 NFFJBYLCVNNXAV-BZUAXINKSA-N 449.585 1.029 30 10 IDEE CCNC(=O)c1ccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)cc1 1710323436 JQPIZADHNQBCDE-APWZRJJASA-N 442.520 1.529 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)C1 1712428320 HSCYJRQCOOXGRB-SFHVURJKSA-N 448.549 1.545 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1712565235 CETKTOQMJWJPHU-IEBWSBKVSA-N 431.541 1.940 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1722342791 YICUDIFHBOZDRJ-UHFFFAOYSA-N 438.513 1.588 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccnc(OC2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1722367619 WRWHTGHJDXKORF-SFHVURJKSA-N 429.546 1.978 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1722368189 PJXZCXQHZFMWAW-UZLBHIALSA-N 426.583 1.281 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1722395984 FCVYVXVNJKAKAO-HXUWFJFHSA-N 431.606 1.909 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1722426225 CZKFUNQIXSCWDU-GFCCVEGCSA-N 426.486 1.519 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CC=CCC2)CC1 1722448944 IYOPMVVYVOHUND-UHFFFAOYSA-N 433.560 1.492 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)N1CCOCC1 1722506000 BRSLRIIZRDMZOW-KNQAVFIVSA-N 440.548 1.540 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1722555538 LQTVVTNEXAKQCN-HOTGVXAUSA-N 444.989 1.038 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722584189 SBVUGZYZKALZDW-KGLIPLIRSA-N 426.543 1.131 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722704319 QRBHREICSCLPDY-XMSQKQJNSA-N 432.569 1.297 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1722908090 ORSLQLZWDYBJEO-UHFFFAOYSA-N 441.536 1.069 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)NC(C)C)cs1 1725223267 KYYQZDDYEIZGAU-ZDUSSCGKSA-N 425.584 1.558 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1727228261 JTJITFBDJBWLHH-INIZCTEOSA-N 443.552 1.866 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1730838009 AZPYIMBXUSTAQE-RDTXWAMCSA-N 431.534 1.657 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1740566445 HDQHMJHXHBBXIZ-IRXDYDNUSA-N 432.550 1.745 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1740620287 DGNHCIIZUWFSKY-SJORKVTESA-N 446.577 1.452 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CS(C)(=O)=O)CC1 1740660926 JHJLQSXHGLPIPE-ROUUACIJSA-N 434.562 1.290 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(N)=O)c2)CC1 1740701382 FKTBPTFYVLODGK-UHFFFAOYSA-N 446.511 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2oc(CCC)nc2C)CC1 1740704283 LBEBNFJBWZVAGI-UHFFFAOYSA-N 448.531 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740707104 OVHBHKXWXFTULQ-UUOWRZLLSA-N 436.560 1.781 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740765718 BXLXLSKNCHZOSR-WFXMLNOXSA-N 438.594 1.869 30 10 IDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740859400 LCIMUFBUDJHGGV-GOSISDBHSA-N 447.561 1.656 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740867305 FDNNRIISOWHGJN-FQEVSTJZSA-N 430.534 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1740954588 BOSPCQHCWZSVOP-OAHLLOKOSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1740966590 UOEVIIFHMBECTB-MAUKXSAKSA-N 443.504 1.503 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1745779994 FCUUFKONIGZSHZ-HNNXBMFYSA-N 432.550 1.861 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1746729592 XXXPYCHZIAXUMV-GCJKJVERSA-N 432.569 1.922 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CC#N 1747443359 BUPNYULETFUNRY-MRXNPFEDSA-N 442.549 1.808 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1747531946 YMGNCYNBYLYSHY-UHFFFAOYSA-N 445.531 1.802 30 10 IDEE CN(Cc1ccccn1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747755834 XIIVAIXWLLTINJ-XOMICKMZSA-N 437.504 1.730 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1748863914 KQKPNOHAYILZKI-MOPGFXCFSA-N 434.610 1.616 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749031645 DLIJGKKHQXQCPK-UHFFFAOYSA-N 439.589 1.451 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749033993 UFCBFEBXJUMMGY-MRXNPFEDSA-N 444.561 1.677 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749335914 VCJWTCBKMNOIFD-NRFANRHFSA-N 427.530 1.769 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1)C1CC1 1749519999 WJPOCFNHJMYOMA-WBVHZDCISA-N 425.555 1.192 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)C2CC2)CC1 1749664066 FSNHYWLLKWOVMY-UHFFFAOYSA-N 438.532 1.751 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1749670048 NWXMUTVHMYMJTN-HUUCEWRRSA-N 430.475 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1749683184 LKHDFTYGYBHURP-BZUAXINKSA-N 434.541 1.781 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOCC(F)F 1750954284 PCCGHLZIILJPIH-UHFFFAOYSA-N 449.462 1.623 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1751193118 JIMXBBVZOAKWPY-QAPCUYQASA-N 432.550 1.823 30 10 IDEE CC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)COC1 1751309106 XXFKLLDEFZAXQX-XHSDSOJGSA-N 432.525 1.814 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1760179056 KWSPHSNMFNVAHV-GASCZTMLSA-N 425.555 1.553 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189542 VHEUQSOZDKBTKU-AQNXPRMDSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1760206326 WRHKBQBROCETLD-GOSISDBHSA-N 427.530 1.485 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@@H](C)CCC 1760219587 ILINRUIOWLCJEO-ROUUACIJSA-N 433.578 1.196 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1760248920 FTSJKXHSUOWLMB-KXBFYZLASA-N 438.575 1.235 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC)c(OC)c2)CC1 1760260628 ZTEZZBMUTQRJJB-SFHVURJKSA-N 438.532 1.440 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760355100 YMJDTDHOPNUBSO-UHFFFAOYSA-N 441.536 1.106 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760360092 QIMXJDIAGMXYFN-MOPGFXCFSA-N 427.553 1.695 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760378946 CUCHNOCAICNLDH-OAHLLOKOSA-N 432.916 1.365 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760562700 SOQSSFKDGJJQHX-UHFFFAOYSA-N 425.584 1.116 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1760831117 WZXRFMQWGTWHGP-UHFFFAOYSA-N 448.535 1.588 30 10 IDEE Cc1nc(C)c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)s1 1762244145 BPAWMJDZKSPAFZ-YPMHNXCESA-N 425.584 1.800 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1762448436 WYHCTANPKJULTH-ANNUQZOISA-N 438.536 1.902 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1765671228 CAYMVVDVKNKDOL-SFHVURJKSA-N 432.550 1.497 30 10 IDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1766563567 WUEWJFMGZOTQQX-KRWDZBQOSA-N 433.534 1.636 30 10 IDEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1769017965 BMGSRAWUYZIJAH-HSZRJFAPSA-N 447.499 1.882 30 10 IDEE CO[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769062574 RTAHIIBQNZZWEG-UNEBPCJRSA-N 437.504 1.406 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1771201083 XMBZTWYDXPNYNG-MBOZVWFJSA-N 439.582 1.957 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CC1 1771360591 LQWMNGJQYWTVSU-UHFFFAOYSA-N 432.550 1.451 30 10 IDEE C#CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1CCOC)[C@H]1CCc2ccccc21 1852660280 ZIPGLZVAEFQOLP-IBGZPJMESA-N 434.496 1.448 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1855004745 NUDCOQQKLKYWTQ-ZDUSSCGKSA-N 433.436 1.827 30 10 IDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1870095185 CIPDPRGSOWTCSR-UHFFFAOYSA-N 439.457 1.857 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(N(C)C)cc2)CC1=O 1874337883 LARQVCQTFUUKEI-GTQIFZCBSA-N 429.550 1.528 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c(OCC)c1 1874432439 GGJRUZXNUIQTMB-LSHDLFTRSA-N 434.522 1.519 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnn([C@@H]4CCOC4)c3)CC2)CC1 1889377422 HEFRAYWUHJMJNI-JOCHJYFZSA-N 443.592 1.495 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010514009 USDXRZYWBHTFQZ-HSALFYBXSA-N 428.533 1.841 30 10 IDEE Cc1csc(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1C#CCO 2100766905 JVMGQVPQUXPVFB-UHFFFAOYSA-N 432.523 1.458 30 10 IDEE C#CCn1ncc(NCC2(COC)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2178020560 VJVKSCNGTCROHU-UHFFFAOYSA-N 441.326 1.934 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247894073 BZPFVMHFWWHBBI-JKSUJKDBSA-N 438.355 1.930 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1COC[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903692 IQSQTOVAKBFUIK-GJZGRUSLSA-N 446.375 1.633 30 10 IDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2248404060 JUJCEMCIVDAKJK-CQSZACIVSA-N 440.371 1.891 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255597968 UIDPLDFPVMMNEY-HUUCEWRRSA-N 432.330 1.552 30 10 IDEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255647240 VRBYUFPTBVWRSV-UHFFFAOYSA-N 432.330 1.859 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255659087 NCQDYSSKEVNUGD-UHFFFAOYSA-N 436.314 1.727 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CCNC(=O)OC(C)(C)C)C1 2255702002 ZQPRFNYJUXGJHI-UHFFFAOYSA-N 435.334 1.101 30 10 IDEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ncc1B1OC(C)(C)C(C)(C)O1 2256622097 CDEVVRSHFPIATL-TZMCWYRMSA-N 436.318 1.297 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929816 WNBGWYPCVHZTHJ-BBRMVZONSA-N 429.282 1.497 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256938159 QVRAACXYPLBSBF-MRXNPFEDSA-N 445.350 1.757 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2267260324 MLTPBQBNRLNBPD-INIZCTEOSA-N 449.357 1.690 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267588917 SHTUVYCMUVDSBW-INIZCTEOSA-N 449.357 1.681 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073983 OHASDSBCNAWHMI-RHSMWYFYSA-N 443.309 1.508 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269084187 BQDVULKGHXWOCI-KRWDZBQOSA-N 442.325 1.034 30 10 IDEE C=CCC1(CO)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2287698051 CPQLYJZXIFLVMC-HXUWFJFHSA-N 438.521 1.991 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300305120 PQAXXPIZUYGEGZ-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE C[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2315697737 WQYCQPMAVZLAPF-CMPLNLGQSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319757193 SKZHJMIFNFYIKF-ZJIFWQFVSA-N 440.346 1.412 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2c[nH]c3ccccc23)CC1=O 2329013155 MQBKXRXMRZRPDS-CYBMUJFWSA-N 425.518 1.943 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)cc1OC 2330710837 UBPBGDKOUZDYMM-UHFFFAOYSA-N 448.549 1.774 30 10 IDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(O)cc2O)o1 2330761556 LXRBTNZODCTHQB-UHFFFAOYSA-N 445.457 1.880 30 10 IDEE Cc1c(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2334262948 AACWXQXVPFPEDF-IIAWOOMASA-N 446.357 1.765 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)cc1 20806096 ZVJFFSKFUCJXGJ-UFWORHAWSA-N 432.491 1.412 30 10 IDEE C=CCNC(=O)CN1CCN(c2cnn(-c3ccccc3C(=O)OC)c(=O)c2Cl)CC1 29403411 JFKUNXGYUZUOBQ-UHFFFAOYSA-N 445.907 1.097 30 10 IDEE N#CCC(=O)N1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 169843491 OJRLFUDXMMXEMT-UHFFFAOYSA-N 433.262 1.020 30 10 IDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)cnn2-c2ccccn2)cc(OC)c1OC 170525891 AIUZWWGQLWUJNN-UHFFFAOYSA-N 436.428 1.533 30 10 IDEE COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 432710862 YBYAQJAWZDGJGY-UHFFFAOYSA-N 444.513 1.870 30 10 IDEE N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 435630529 XMCRGVDANJJSPJ-UHFFFAOYSA-N 441.444 1.041 30 10 IDEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462092088 VSIOONXGZVDOJM-QGZVFWFLSA-N 436.520 1.689 30 10 IDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)C1 481066699 CWRKMVJZZOXZDI-APWZRJJASA-N 436.553 1.840 30 10 IDEE CC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)nc1C 485743835 NIRYJHBUVWGZFY-UHFFFAOYSA-N 426.498 1.919 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cn2)C[C@@H](C)O1 499678983 RMJKKWXFZQNDOL-QZTJIDSGSA-N 435.532 1.994 30 10 IDEE CN(C)CCN1[C@H]2CCN(C(=O)C3(C#N)CC3)CC[C@H]2Oc2ccccc2S1(=O)=O 503717064 OTHFDWGFTSAOHG-DLBZAZTESA-N 432.546 1.295 30 10 IDEE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3C#N)C2=O)cc1 526674367 KJVOQKXOQOMXFF-UHFFFAOYSA-N 444.856 1.819 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2OC(F)F)c(=O)n1C[C@H]1CCCO1 532047296 IGDOMYWUTKZCJF-CQSZACIVSA-N 449.479 1.248 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cnc(C4CC4)nc3)CC2)cc1 534411759 QCZYQDHTQOQENT-UHFFFAOYSA-N 439.541 1.985 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)CC1 554762075 ANQZZRPSYRQKOM-UHFFFAOYSA-N 439.919 1.767 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)n1 571137379 YEDIBQPSKYSXSN-QGZVFWFLSA-N 439.537 1.755 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCc4nnc(C5CC5)n4C3)CC2)cc1 590061246 QBHRVJIZOCMAQK-KRWDZBQOSA-N 440.529 1.123 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 603800222 UNSRDZHBOPRCCS-SFHVURJKSA-N 439.537 1.269 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CCSC)c2nnc3ccccn23)CC1 609639428 NYNCGEHJFAAYMN-MRXNPFEDSA-N 431.566 1.153 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cocn2)C1=O 730724363 OXCJXQVGJOKROW-DVCONVQISA-N 430.534 1.180 30 10 IDEE COc1cc(OC)c(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c(OC)c1 731182432 FENSATHWIQRQEV-UHFFFAOYSA-N 433.486 1.753 30 10 IDEE O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465214 DVOLUOVVPUSNRF-VHEBQXMUSA-N 444.467 1.648 30 10 IDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732701321 WDHFRAPZBLYGCC-OAQYLSRUSA-N 439.564 1.101 30 10 IDEE N#C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 733252861 BLWVKZBEUORQEQ-AWEZNQCLSA-N 433.287 1.869 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C)cc3)c2=O)cn1 735068433 AZNAMEWVWYZALX-UHFFFAOYSA-N 435.553 1.842 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1nc(-c2ccccc2F)cs1 737304807 CFXYHNQVPDJMDH-NXVVXOECSA-N 429.433 1.530 30 10 IDEE N#Cc1ccsc1C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 748103978 RXAYJHWXYSJSMI-QPEQYQDCSA-N 445.522 1.921 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCCN2C(=O)COc3ccccc32)C1 758534184 CZPZVUOMISLBHR-HOTGVXAUSA-N 443.504 1.860 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)n(C)n1 770797636 ZSPJNLOPZDFZCV-YESZJQIVSA-N 431.541 1.756 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCc2nnnn2C)C1=O 771546014 WGTLZLANFAXFPF-LBPRGKRZSA-N 442.332 1.827 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 775973308 GCBMESIJUGKWQY-LSDHHAIUSA-N 437.518 1.074 30 10 IDEE C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 780205670 NCAVDNSWXAJTRP-MLCYQJTMSA-N 435.358 1.696 30 10 IDEE CC(=O)CCC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 786217084 HCXJVRMOSJZNKV-UHFFFAOYSA-N 449.529 1.330 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)n1 789321249 VERGAPNOVHULSB-UHFFFAOYSA-N 443.979 1.963 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 803434622 OKARGZNBCWWXGY-CQSZACIVSA-N 445.463 1.519 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1 803922928 QAZOCBGKBYILKZ-UHFFFAOYSA-N 445.472 1.278 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)N(Cc2cnn(C)n2)C1=O 807937448 DHLQFIXTQDZRQU-IHLBYEDJSA-N 440.451 1.970 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\CCCN(C)c2ccccc2)N(Cc2cnn(C)n2)C1=O 807938104 UXYBCIKMDCTBEJ-WXVFVKJXSA-N 429.550 1.278 30 10 IDEE Cc1ncc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1C#N 813686874 OXSMCFVXODGCJR-UHFFFAOYSA-N 449.432 1.913 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)n1 813750685 CFPLEUBISDWHLC-MOPGFXCFSA-N 437.504 1.886 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 916178020 GSYRQJNIEQPEDS-UHFFFAOYSA-N 447.538 1.993 30 10 IDEE CS(=O)(=O)N1CCCc2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)ccc21 916178319 QWYRPNBOQZLRGX-UHFFFAOYSA-N 433.511 1.530 30 10 IDEE C#Cc1ccc(S(=O)(=O)N(C[C@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)cc1 1188823990 PTIBFNSQKKJWSB-IBGZPJMESA-N 430.526 1.535 30 10 IDEE C=CC[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OCC 1189086501 BDBANUZMJQOCSE-MSOLQXFVSA-N 440.518 1.451 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1248605972 DKRZMEMEFOPOIM-UHFFFAOYSA-N 428.514 1.922 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286505307 XCLAWIKMGIWDND-INIZCTEOSA-N 445.618 1.996 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1286726521 FWLBXZKREZFJIR-INIZCTEOSA-N 425.530 1.608 30 10 IDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286760384 LARWUJMCJSOSSV-MRXNPFEDSA-N 442.486 1.842 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CCO1 1286940507 BLAMBKITDFTJEG-FQEVSTJZSA-N 434.504 1.134 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1286958560 ADDVXURSUWVAJN-QGZVFWFLSA-N 438.536 1.390 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H]1C 1295981024 QKUNCCBIQOBXRO-KKUMJFAQSA-N 435.554 1.320 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[S@](=O)CC)c1 1300333104 VTHUGYGFHOHEDQ-WJOKGBTCSA-N 439.545 1.503 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1300340212 WQJUJIGZIWKZCQ-HZPDHXFCSA-N 432.550 1.987 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1300422081 XSBZXQYFGPGASP-JKSUJKDBSA-N 426.546 1.930 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1300423152 JBJRMWWMFHHKEZ-UHFFFAOYSA-N 435.525 1.881 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cnnn2)CC1 1300701112 GZPABBFZXQGKSG-UHFFFAOYSA-N 425.928 1.354 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)CC1 1301124454 INFHKQTXHWBONT-MRXNPFEDSA-N 433.534 1.606 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@]3(CCC(=O)N3)C2)cc1 1301520610 JOUJVHHPBWEDHA-QHCPKHFHSA-N 438.532 1.888 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1 1301531349 JYKUEKPFZHRZOB-IBGZPJMESA-N 441.532 1.690 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNS(C)(=O)=O)C1 1301541935 GTTRVTXJTRMYCU-INIZCTEOSA-N 436.494 1.184 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1302031787 ZHHCBTQODHSDTI-UTKZUKDTSA-N 437.564 1.470 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC(=O)N1 1303064305 WHDPEDFICUNVQO-GOSISDBHSA-N 448.535 1.966 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](C(=O)OCC)C4(COC4)C3)ccc2c1=O 1303334717 JGRHCAXLYMUBCQ-OAHLLOKOSA-N 429.498 1.523 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1303935011 HPKWGQQNYZZAOJ-UZLBHIALSA-N 449.581 1.068 30 10 IDEE C#Cc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)cc1 1304802525 QJNTXUORIXNAAW-MQMQVCBVSA-N 446.550 2.000 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1309256706 CUTWLOKCRUTMSA-UHFFFAOYSA-N 433.527 1.067 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1314634417 HVIIKHGLHNELKJ-FQEVSTJZSA-N 448.531 1.997 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1314852661 JOZQRYZDMPKJTH-IBGZPJMESA-N 435.575 1.556 30 10 IDEE Cn1cc(-c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CC(=O)NCC(F)F)cn1 1314898516 HYPBDOBCVUWGDU-WBVHZDCISA-N 440.458 1.803 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)CC1=O 1314929871 CTSQAOIVKYTYIA-UHFFFAOYSA-N 430.534 1.123 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2CCOCCCO)cc1 1316532209 XEFIUNCHJYLUCQ-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358959704 OBNBMGVSFHZNGI-MOPGFXCFSA-N 427.530 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358973939 LCGLNUGYJMLKKD-QGZVFWFLSA-N 427.530 1.308 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cc2F)CC1 1359039933 BDTXCHVDHXEHNV-UHFFFAOYSA-N 444.486 1.709 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359059231 FXZAZNUPKHSHCV-OAQYLSRUSA-N 438.601 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359101199 LWBCLXJCSKQOQD-POAQFYNOSA-N 431.562 1.868 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OC)CC1 1359179013 JGAMBLACDGQFMW-MRXNPFEDSA-N 427.571 1.438 30 10 IDEE C=CCN(c1nnc(-c2cnccn2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1359249982 XIUINGGIMKCYRC-UHFFFAOYSA-N 425.518 1.780 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 1359320899 XLTUQEBGMHJLLS-OKYOBFRVSA-N 446.596 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCOC(C)(C)C1 1359330909 GVAZNCNWCLABNB-UHFFFAOYSA-N 437.522 1.222 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1359639548 HWLAEKRZDLFKET-UHFFFAOYSA-N 435.532 1.695 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCCC1 1360215809 XMYOFMHFFIDFPD-UHFFFAOYSA-N 438.536 1.437 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ncc4c(c3C#N)COCC4)CC2)cn1C 1436893472 CIBOGACSIKKSKE-UHFFFAOYSA-N 444.517 1.107 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1438400255 GRXARGILRUKNAJ-OAHLLOKOSA-N 448.900 1.651 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1=O 1447481220 XBCXWXPXRRFFND-LJQANCHMSA-N 442.516 1.911 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 1450911175 XYKDNYLQAVXEPV-AWEZNQCLSA-N 432.527 1.041 30 10 IDEE C#CCN(CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)OC(C)(C)C 1453076010 PTDUYSBBSBAQEP-UHFFFAOYSA-N 435.546 1.408 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H]4[C@H]3CCCN4CCO)C2)C1 1456862965 SKUKIRXRWJYORA-UBUCZLFOSA-N 432.565 1.831 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1501154211 DRBCEIJLLZGCCT-GOSISDBHSA-N 439.564 1.890 30 10 IDEE CCNC(=O)C1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1502402150 DAZHWAGPEJDJGR-INIZCTEOSA-N 429.550 1.669 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OCC)C(C)C 1507539874 XXAWKDHPDJHWRW-RCCFBDPRSA-N 441.598 1.520 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)C1CC1 1507616681 LWTICZIXBDDSKP-WOJBJXKFSA-N 443.573 1.874 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507633418 DMBNTNQANVADJI-OAHLLOKOSA-N 448.599 1.765 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1507652756 ISBIJHBTRIAJDY-SFHVURJKSA-N 441.486 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NC)c1 1507667786 RIUBEFXZKYYXAB-UHFFFAOYSA-N 444.495 1.877 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)C(C)C)CC1 1507729120 DXGGZQOFYTXGQY-UHFFFAOYSA-N 430.503 1.675 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508140181 GPUWGKYXSVRFFS-QRWLVFNGSA-N 439.582 1.471 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1[C@@H]1C[C@H]1CF 1510225453 CWYAVRVFDVONRE-RUGDWHBFSA-N 448.524 1.868 30 10 IDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1528153932 SMUQZDKAVLOYHF-QGZVFWFLSA-N 434.514 1.109 30 10 IDEE C=CCN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)[C@H]1CCS(=O)(=O)C1 1528605190 DNVAYVHHICHKNF-ZFWWWQNUSA-N 428.304 1.732 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3(C(=O)NCC4CC4)CCCC3)C2=O)cc1 1531432744 RVWNMDCNOJANAF-SFHVURJKSA-N 437.500 1.718 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1539071705 CZCCXRJBZYKRSY-SFHVURJKSA-N 432.550 1.446 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCOCC1 1539155083 REMSMHKGTKHJSZ-UHFFFAOYSA-N 431.562 1.530 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1539324279 SJKWRNNARDURKQ-NFBKMPQASA-N 443.617 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N(C)C2CC2)CC1 1539481150 IJLRKDIRHLNPMU-YLJYHZDGSA-N 428.581 1.968 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1539556350 BPZJLRAMLYINTJ-HDMKZQKVSA-N 427.596 1.355 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1539733598 GVQQIJZEQFHELZ-VGSWGCGISA-N 443.552 1.904 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1540072053 JDBHIYMYLFFVRE-SFHVURJKSA-N 434.566 1.370 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)CC1 1540864072 OCEHJKZCQQIBKF-UHFFFAOYSA-N 433.310 1.336 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540872174 FXJDJCQCELCVQQ-KRWDZBQOSA-N 447.561 1.193 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1540901365 BAWXEBFZXFFYQI-FQEVSTJZSA-N 436.582 1.921 30 10 IDEE C[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1544132594 MKEXVXUYMFOZBQ-CRAIPNDOSA-N 448.549 1.750 30 10 IDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1557511760 BCCZCMHPUXYNCH-UHFFFAOYSA-N 438.550 1.879 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC(Nc2cccc(C#N)c2)C1 1557721479 OORDCOZBYHFWFX-SFHVURJKSA-N 427.505 1.697 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)c2cncc(Br)c2)c1 1557914264 RGYAFAHPQMRGOW-UHFFFAOYSA-N 438.303 1.921 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2ncccn2)C1 1558523864 LJUNXQCNCFIIGT-RDJZCZTQSA-N 427.530 1.946 30 10 IDEE COC[C@]1(C(=O)OC)CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1560025072 DJWBIIFMIOYXFT-REWPJTCUSA-N 446.523 1.579 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)nn1 1561820337 HQSPRZGHLVJPOG-UHFFFAOYSA-N 427.284 1.677 30 10 IDEE Cn1ncc(C(F)(F)F)c1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1587109332 KUAKCTNURKJHFQ-CQSZACIVSA-N 434.378 1.832 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1C[C@]1(N2CCOCC2)CCSC1 1587562839 UHTZHRDWJQLVMU-WAOWUJCRSA-N 437.610 1.668 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1587638839 HOHKDSBCQFKMFJ-LPHOPBHVSA-N 447.561 1.516 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1589060227 PADKUYWROMZJLB-LAUBAEHRSA-N 429.521 1.833 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(CC)C(=O)C1 1589304649 IKVZRKYTTAQMHU-CQSZACIVSA-N 430.347 1.969 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC2CC2)CC1 1595821492 BXJLCCYYUJXBMG-UHFFFAOYSA-N 447.609 1.273 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 1596741996 SVLZUNYUFDCERF-GOSISDBHSA-N 441.594 1.957 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1615213276 IBAQDEBTCZVRTB-LJQANCHMSA-N 439.545 1.806 30 10 IDEE C[C@](O)(CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)C(F)(F)F 1616239777 VLYNEXHHCISITA-AWEZNQCLSA-N 427.395 1.813 30 10 IDEE CO[C@@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619484131 VQOCFLMTILVCHJ-KBXCAEBGSA-N 439.520 1.766 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619583423 GBVLJLLVJNGNLT-SQNIBIBYSA-N 440.552 1.831 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619837152 VLVFRIMDCDZTBK-QUCCMNQESA-N 431.585 1.317 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 1623724097 GDAIKHWIBCZTPD-QZTJIDSGSA-N 441.594 1.861 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cc3ncc(Br)cn3n2)C1 1624812865 ALTPXZLQUIWGHA-GXFFZTMASA-N 435.282 1.981 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1635977278 VVJCGIFTVPMYMA-MTSZKFMLSA-N 428.551 1.506 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@](C)(CO)Cc1ccc(Cl)cc1 1643894086 XAPXWRYPOIZHGH-VBKZILBWSA-N 435.933 1.988 30 10 IDEE C=CCC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 1644571250 WNJHZVHBVXIBNQ-LGMDPLHJSA-N 430.530 1.637 30 10 IDEE C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1648066060 GDVGKBZXSRMXFF-SPSXULPESA-N 436.306 1.775 30 10 IDEE CCOC(=O)[C@]1(C)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1649121969 OAUHCFMCVXCBDF-IBGZPJMESA-N 436.306 1.938 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)CC1 1650848888 MMIPDJUIWVPKEH-UHFFFAOYSA-N 447.463 1.421 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1652012519 AZYPNNQQFJBIRK-OIISXLGYSA-N 444.937 1.478 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1 1667321710 DPSROWGJGYETLT-ROUUACIJSA-N 439.534 1.877 30 10 IDEE COCCn1nnc2c1CCN(C(=O)NC1CCC(Oc3ncccc3C#N)CC1)C2 1681580434 BQJZHPYWSAURMD-UHFFFAOYSA-N 425.493 1.649 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)C1 1686054948 DZRIJQXWPSAWTN-FHWLQOOXSA-N 444.536 1.341 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1 1689835623 PUVBUYHFXCFRID-HRAATJIYSA-N 447.561 1.459 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1689948806 GRODOQQXAVROFX-VGSWGCGISA-N 440.552 1.500 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689977818 DLBWXTYAMHWFQW-LJQANCHMSA-N 441.557 1.756 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1689986438 QARMQKGYJRRLHJ-KRWDZBQOSA-N 445.545 1.107 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(=O)N(C)Cc2ccccc2)CC1 1690129381 VIVXCTKJYNLQQK-UHFFFAOYSA-N 443.555 1.678 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN2CCOCC2(C)C)CC1 1690144422 YXUQNOJLXPXMNM-UHFFFAOYSA-N 428.581 1.622 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1690596993 GPWMTWNWGDHLFH-ULQDDVLXSA-N 427.546 1.928 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC[C@@H](C2CCC2)C1 1690674937 KZKJFEGYBFCBFY-IBGZPJMESA-N 427.553 1.695 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690746717 IDVATATWABDHKJ-NVXWUHKLSA-N 436.607 1.276 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1CN1CC[C@H](O)C1 1690993100 FCGQLWGYZSHECR-XLIONFOSSA-N 439.564 1.627 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1691493264 CPSHIYWEIMICEX-OAQYLSRUSA-N 428.562 1.893 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCn2ccnc2C1 1694355451 UUROHDAGCKBNOZ-RDJZCZTQSA-N 426.525 1.384 30 10 IDEE CCCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1695180721 OUWJMDUTLHFAOY-GOSISDBHSA-N 428.541 1.889 30 10 IDEE CCN1CCN([C@H](C)Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1695873879 ZFCSMNUEBVTNNN-MIZPHKNDSA-N 447.628 1.941 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1705496083 ZIKSJGKBKDMRCF-YLJYHZDGSA-N 438.557 1.931 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1705546627 GOINURCHJIBVRM-KRWDZBQOSA-N 429.329 1.871 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1705551160 IAFDPUBAUQUBPI-LJQANCHMSA-N 431.562 1.540 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705568550 PRLSVVKKFMLACI-SFHVURJKSA-N 437.610 1.706 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705570368 MQSDXYIVYVUUTI-IAGOWNOFSA-N 442.607 1.071 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1705628372 DYCKGAUXSLENOE-UWJYYQICSA-N 438.594 1.598 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705639606 SBJASJRWIKONMM-RTWAWAEBSA-N 430.597 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1705648071 QWBGOJBPLRUKSO-BZSNNMDCSA-N 428.537 1.010 30 10 IDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(N)=O)C1 1705736285 PVXZXLQMNCZZIH-OAHLLOKOSA-N 447.565 1.143 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1)C1CC1 1705855146 WLWBWZISMYEYJL-KRWDZBQOSA-N 439.582 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC[C@H](C2CCC2)C1 1705934241 GHLBTSDDKYXOFO-SJORKVTESA-N 437.566 1.083 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1706970246 BXQJUOHPNWTSAH-INIZCTEOSA-N 449.519 1.685 30 10 IDEE Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1707917374 VTIOCOOWNHUPDC-FOCLMDBBSA-N 436.398 1.348 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)C[C@H]1OC 1712682032 SUKQBRGWNHLMBD-KDURUIRLSA-N 447.561 1.882 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN2CCCO)CCO1 1712884129 HEHJBPIPIJOAJY-DLBZAZTESA-N 446.502 1.723 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1722305516 RLKBRCGTYMCJNP-GOSISDBHSA-N 430.534 1.067 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)C 1722400382 OPMBMAKMYLDATR-UHFFFAOYSA-N 448.575 1.687 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1722401416 XBEGZFWUAKPGTI-QFIPXVFZSA-N 437.592 1.959 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCN1CCCS1(=O)=O 1722424487 OQFHSECXQDQZSI-UHFFFAOYSA-N 433.534 1.075 30 10 IDEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1722616099 JYKMLADCBARVQJ-SFHVURJKSA-N 433.534 1.838 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722690338 IELYALBRNTXKEI-MRXNPFEDSA-N 428.585 1.766 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1722702184 GTADNLGHQGHROB-YQVWRLOYSA-N 432.569 1.604 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1Cc2ccccc2C1 1722702472 LBAMRKZEECRAEV-RXVVDRJESA-N 425.533 1.908 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722729077 DUDOQBCARLRLSN-LJQANCHMSA-N 441.561 1.041 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)Nc1ccc(F)cc1 1722863146 HYQAZJUUUBNAJD-STQMWFEESA-N 437.501 1.262 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1722872094 KFSZGCOOVPUTBZ-ARFHVFGLSA-N 426.587 1.732 30 10 IDEE CCc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727630135 WFUQMCJCNXZCRU-VEGAHXMMSA-N 436.516 1.815 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(N(C)C)CCSC1 1730841858 OEFRFDITPUBVHO-AYOQOUSVSA-N 426.562 1.881 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740622772 IJMRKFUACJIVGW-MRXNPFEDSA-N 442.570 1.974 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740632774 WQTDGUZVXXJTSO-NQIIRXRSSA-N 434.562 1.216 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1740686283 VHBVDLGQEBEITA-JOCHJYFZSA-N 439.560 1.749 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740951762 NCIBYZNYPXPCOG-KRWDZBQOSA-N 439.520 1.481 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](COC(C)C)C1 1740955973 JUCOUUJNYCGMRN-QGZVFWFLSA-N 429.521 1.886 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741701131 FSQAYDCVCYCPTO-UHFFFAOYSA-N 445.531 1.382 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1744750151 FBKPBTNEWCKRBH-ZOKDDAQRSA-N 426.546 1.833 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748686901 YVGWBUCIAMPQGU-IAGOWNOFSA-N 447.561 1.748 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1748808927 JBCOKNMIKHHAFU-UFYCRDLUSA-N 444.557 1.623 30 10 IDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748820598 FLOWUNGIJJTLOI-HKUYNNGSSA-N 446.573 1.734 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 1748983729 AJUVZRCOJQBGKB-UHFFFAOYSA-N 426.540 1.950 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC(C)C)N(C)C)CC1 1749001157 KHYBBTKAGVVGLL-IBGZPJMESA-N 445.612 1.358 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749084694 UBNRRFKGWVVILM-OLZOCXBDSA-N 446.309 1.549 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749170568 PMIYYKQXGCXXGL-CVEARBPZSA-N 427.571 1.486 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749229637 NEMMORSKZQSLIU-LJQANCHMSA-N 448.568 1.687 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1749604530 TYWXHMUIKWWPET-VXKWHMMOSA-N 427.505 1.600 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749663410 DDDGVELBHOWNFZ-OAHLLOKOSA-N 444.561 1.608 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749670336 PYPXUUBQLXBVEG-ROUUACIJSA-N 429.525 1.616 30 10 IDEE COCCN1C[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1749857985 FCTSDIMXOJTABZ-HOTGVXAUSA-N 440.508 1.016 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1760188732 MCRZZTCFHOYIQX-LJQANCHMSA-N 436.541 1.913 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1760209655 GETKZBSULMEBAR-GOSISDBHSA-N 429.546 1.739 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccc(F)cc2)CC1 1760259587 NSHUYYDABIRUKP-PKOBYXMFSA-N 445.564 1.878 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760349158 BOZBUVJELLBYGX-JOCHJYFZSA-N 448.568 1.068 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760510920 VRWCCQXKKLQJLW-MRXNPFEDSA-N 431.541 1.792 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1760521356 QMRZHCLYOLPIQN-CWRNSKLLSA-N 430.534 1.559 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760532360 SYXQKMHNSDHJBW-IBGZPJMESA-N 437.504 1.243 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1760544058 VEWAEYYAIANKMB-QZTJIDSGSA-N 446.577 1.859 30 10 IDEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1764274734 HVNFKJVSWQSSSX-SFHVURJKSA-N 438.536 1.419 30 10 IDEE CCc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764897141 GDSWOPKGPIVVCP-QZQOTICOSA-N 449.515 1.329 30 10 IDEE CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CCN1CCOC 1765625205 PTZAGNBRZWVUKN-KRWDZBQOSA-N 443.552 1.866 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770601038 WRWRJOXRJBAGBI-HYHOCUEZSA-N 447.499 1.958 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1770675123 GSFBLDNDCLUDBO-UHFFFAOYSA-N 448.531 1.707 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCc2nccn2C1 1771109223 IWSHZPLZNNKLFC-QGZVFWFLSA-N 426.525 1.340 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1849167480 NUNKTMSJNKEZPX-LPHOPBHVSA-N 435.546 1.341 30 10 IDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(Cc4cc(F)cc(F)c4)C3)CO2)nc1 1852465571 NBAJCQZRDVKGCP-YJBOKZPZSA-N 428.395 1.944 30 10 IDEE Cc1ccc(-n2nnc(C(=O)O[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)n2)cc1 1852775767 JAZLOVAGJKHXSF-OAQYLSRUSA-N 448.483 1.779 30 10 IDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)ccn1 1854914605 JREHZCLBMMHPPA-GOSISDBHSA-N 430.530 1.375 30 10 IDEE COCc1nc(CCN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@H]2C)no1 1855155287 PKGCZRGHVIBJLU-CYBMUJFWSA-N 431.880 1.851 30 10 IDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1855312195 NVVRFMJORYMWPU-RDJZCZTQSA-N 431.514 1.411 30 10 IDEE CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856738699 NAJYZKCCSNTCRT-IRXDYDNUSA-N 426.539 1.162 30 10 IDEE N#C[C@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)[C@H]1CCCO1)CC2 1857231909 JUDRNVVINGZFBH-CRAIPNDOSA-N 429.498 1.596 30 10 IDEE COc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 1870137567 RDWCJVKOVNCDRW-UHFFFAOYSA-N 432.396 1.634 30 10 IDEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625148 DSDNCZLAUOTSKA-UHFFFAOYSA-N 442.568 1.899 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCc2cccnc2)sc2c1CCC2 1872649868 SDIUMGGFGHDZGR-UHFFFAOYSA-N 438.469 1.763 30 10 IDEE COc1ccccc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)NCc1ccco1 1874433268 HSEQJZSXMBITAO-AUEPDCJTSA-N 442.501 1.807 30 10 IDEE CN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)[C@H](C#N)C1 2010545849 AFLXDXYKFMIJRC-AUSIDOKSSA-N 427.549 1.822 30 10 IDEE C#CCN(C)C1CN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2016617681 YWVXVXOUTAXPCG-DEOSSOPVSA-N 426.561 1.932 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2085300821 WMGPAPAUWYNKNU-MGPQQGTHSA-N 437.346 1.696 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255525328 BTYHPXYGPYXAQD-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631237 VYSMBUCYMPCUFM-QWHCGFSZSA-N 438.309 1.786 30 10 IDEE CON(CCCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255823640 WVEKHGHKNFYLRR-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2255877794 NAASDILIAREZLP-OAHLLOKOSA-N 437.346 1.423 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267127992 VDYBUNFTFYXEER-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129598 CXEOAPIRQFVJOA-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267138848 YBBTZBSKQCHSJY-GJZGRUSLSA-N 446.357 1.801 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 2267265604 IFLYHHJIMFMVON-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE CO[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2267536401 JEWFIULMVXFZGP-LSDHHAIUSA-N 448.329 1.140 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267883108 AIBYYZMIAPRNIE-CABCVRRESA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2332883814 IVIFTKVOGMHTJA-MGPQQGTHSA-N 426.267 1.600 30 10 IDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2365206967 KKKBAMNQUUJXED-IBGZPJMESA-N 436.574 1.955 30 10 IDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 10063381 IZRMWSMKBNXTAT-UHFFFAOYSA-N 432.502 1.585 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OC)n2N)cc1O 21316558 OLGFNGDNKWAORU-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE C=CCN1CCN(Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)CC1 65235957 HLLFLKYNWUKGPO-UHFFFAOYSA-N 431.500 1.898 30 10 IDEE O=[N+]([O-])c1ccc(/C=C/C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 254507422 QIDAZPCGULXQRX-YFDYAFJSSA-N 440.464 1.564 30 10 IDEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccccc3)c2=O)=C(C#N)[C@@H]1c1ccccc1 254870031 RZJHQULBEIBGTI-IBGZPJMESA-N 429.501 1.901 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460801519 XJEATDNODXESKH-UHFFFAOYSA-N 438.598 1.777 30 10 IDEE CC1(C)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]2CCCO[C@H]21 466133112 MVRNAFOKSYERRW-BHIYHBOVSA-N 432.546 1.778 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N(CC(C)C)CC(F)(F)F 506946610 RBZSXWQVRCPKNM-UHFFFAOYSA-N 446.455 1.742 30 10 IDEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511998323 ZWEGYMSOXDOWFJ-IEBWSBKVSA-N 437.562 1.233 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1C#N 521289678 LFZNVUNERUPUMP-HOCLYGCPSA-N 431.562 1.833 30 10 IDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 522208684 XOQYRKKPHJTDAE-INIZCTEOSA-N 433.515 1.290 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 522674123 VPFNVTUARMYRAV-UHFFFAOYSA-N 428.535 1.372 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)cc1 527520119 VGUSBWNHRHJVCG-DYESRHJHSA-N 433.530 1.847 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 546741342 DZJWBSSLGISLLM-UHFFFAOYSA-N 434.949 1.731 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 549278200 SNRLKKMQHVPCIB-QGZVFWFLSA-N 426.587 1.154 30 10 IDEE CN1CCCN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673891 WZKXCIKTKBVIIR-CMEHAZOYSA-N 447.495 1.799 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 611089757 PKLPXCXTUOQUNW-UHFFFAOYSA-N 436.541 1.675 30 10 IDEE Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(C#N)cc2F)cc1C 611643401 NVLIOIOZEYYAQH-XLIONFOSSA-N 431.489 1.755 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 732467540 ZBALNZLRRASYRA-VHEBQXMUSA-N 435.887 1.833 30 10 IDEE COc1cccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 732494293 DGEGTUXHFXFUBH-PZJWPPBQSA-N 446.463 1.818 30 10 IDEE COC(=O)[C@@H](N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(C#N)cc1 740001390 SOKXAXBPHVBGLM-UGKGYDQZSA-N 436.516 1.658 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 741413697 IRLSTOUQPKMXMD-UHFFFAOYSA-N 445.321 1.905 30 10 IDEE N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 741444138 UEJMDMNEWHOXJU-MELADBBJSA-N 430.404 1.655 30 10 IDEE CCOC(=O)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742110868 NQPQPIWUSUCLRK-QGZVFWFLSA-N 429.498 1.578 30 10 IDEE COc1ccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N 746785066 LMDRSCXADMOTSM-UHFFFAOYSA-N 429.502 1.246 30 10 IDEE Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CCC2=O)cc1C 760988005 UPFAMEVJYTYDNM-AEFFLSMTSA-N 431.514 1.012 30 10 IDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 769936014 SYTLIECCMTTYEX-VLIAUNLRSA-N 433.871 1.445 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 790105407 ZEGCVMBVZBQJKI-MRXNPFEDSA-N 445.501 1.766 30 10 IDEE Cc1c(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)cnn1C 790751248 VPFWCRQRFJEEOU-INIZCTEOSA-N 434.591 1.990 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(Br)c1 795189039 ZMKLJYQFHZORHQ-OAHLLOKOSA-N 446.326 1.887 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)CC1(C#N)CCCC1 796242677 LWDYSEMWZNAWEK-HNNXBMFYSA-N 429.539 1.885 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2C[C@H]2C2CC2)C1=O 797426824 NWRQEOUJJALZSF-XVEWBOHBSA-N 436.559 1.069 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)=NO1 799002670 WCJNLCFHWSRJGA-IAGOWNOFSA-N 441.488 1.445 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(c2ccccc2F)CC1 803611002 YOILSSPVPMJTEV-UHFFFAOYSA-N 430.505 1.993 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C)n1 809842875 IAPIRSOLYPJLBF-UHFFFAOYSA-N 446.515 1.695 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccccc1C#N 917799972 UENXAMSRUUCHSA-UHFFFAOYSA-N 435.534 1.565 30 10 IDEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@H]2CCCO2)c1 918730165 ZJLRRKVHHINRIR-LJQANCHMSA-N 448.548 1.825 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(OCCO)CCOCC3)C2)C1 1138748345 VHOHYMXOHANCKO-BATSVXPKSA-N 437.537 1.448 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)C1 1150967834 FPPFNMZDAHXAKU-JQCXZVQFSA-N 440.566 1.171 30 10 IDEE Cn1nc(I)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1153859423 QMTIINAVAVDGDS-VHSXEESVSA-N 445.261 1.514 30 10 IDEE Cn1nc(I)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1153859424 QMTIINAVAVDGDS-ZJUUUORDSA-N 445.261 1.514 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1 1163047247 QAYYMRRPRRPOLC-AWEZNQCLSA-N 431.436 1.271 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-c3nncnn3)cc2)s1 1164459839 LQPSWTMWHXHEGC-UHFFFAOYSA-N 430.515 1.318 30 10 IDEE N#CC1(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCOCC1 1225037947 GUDDUSHZEWPFJU-KRWDZBQOSA-N 436.534 1.263 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc([C@H]3CCCN(C(=O)NCC#CCO)C3)[nH]n2)CC1 1235579449 CHRDTQOOGHVGAV-KRWDZBQOSA-N 446.552 1.352 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1286416881 SNGRJHYEHAIXMQ-UHFFFAOYSA-N 425.464 1.351 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCC1 1286440981 OVOBKSLYGDOLCL-UHFFFAOYSA-N 440.533 1.348 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(C)(=O)=O 1286443338 FCILYZPWJCMEJL-UHFFFAOYSA-N 428.518 1.999 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1286467284 SOCSURBXBFWTGB-KRWDZBQOSA-N 434.537 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1286480275 UTKJGJXLCPOQAD-PMACEKPBSA-N 427.597 1.495 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1286480309 VMITVJFXGMUHBY-MSYCTHLASA-N 427.597 1.495 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CC(N)=O)C1 1286503988 HMIWMKUYYZOXBA-CQSZACIVSA-N 430.534 1.464 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1286569027 ZXXMVDYICMXCTG-GCJKJVERSA-N 436.516 1.988 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286593031 GPYVGEVLUVYEJC-ROUUACIJSA-N 441.598 1.973 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1286749811 ZISXQTGELWYETJ-JKSUJKDBSA-N 438.575 1.850 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1287280437 PRFFKFGUGSDZPJ-LDSGZGKSSA-N 437.504 1.728 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1288532077 XNXZVOYJZLFXCQ-GVDBMIGSSA-N 441.598 1.996 30 10 IDEE Cc1[nH]c(C#N)cc1C(=O)NC[C@H](O)COc1ccc(I)cc1 1294800205 BOCHAQPXIFVNRD-ZDUSSCGKSA-N 425.226 1.969 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)C[C@H]1O 1299412895 HEUKUTBDBGCMGG-BHIYHBOVSA-N 425.489 1.604 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1300310761 OJRAFJJDHNZAJS-IEBWSBKVSA-N 446.577 1.405 30 10 IDEE CC(=O)NCc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1300633725 LOOWUBWUTQORGR-UHFFFAOYSA-N 428.514 1.458 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1300664070 NZUNRAOSWXHEQR-UHFFFAOYSA-N 445.430 1.061 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1300915211 JRCBRJPEKZROOF-SFHVURJKSA-N 435.550 1.767 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1301498743 SWQMLKLSCYIKCI-UHFFFAOYSA-N 426.496 1.996 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccs1 1301500581 NOXBNEVJSOQKQP-LSDHHAIUSA-N 435.575 1.885 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301508687 QRXIOUNWOAQEER-INIZCTEOSA-N 440.577 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C1CC1 1301575491 HLWLFEQWWZPGTH-UHFFFAOYSA-N 438.575 1.938 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1301593195 KHPPSIUIQFGZHU-INIZCTEOSA-N 447.517 1.195 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301637133 MEBNMMABMVBYBU-QFIPXVFZSA-N 437.504 1.668 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OC 1302428406 ILVVBGRKQNKTHG-LLVKDONJSA-N 439.715 1.988 30 10 IDEE CC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1306327003 YZWPHHWZLBVDCE-OSCRUYLVSA-N 441.536 1.667 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1307057275 XVXSRHYEHYQIAT-GPMSIDNRSA-N 441.577 1.595 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)CC1 1310841500 WOJBANRBIQQMAS-UHFFFAOYSA-N 430.534 1.613 30 10 IDEE CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1315046892 NVIAERHTPCIMCN-RBUKOAKNSA-N 435.532 1.696 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1318037097 LBGXFODILSTECG-KRWDZBQOSA-N 425.466 1.961 30 10 IDEE COC(=O)c1ccn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)n1 1354587342 OXNALCMXGWEARG-PTGBLXJZSA-N 447.517 1.901 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1358890414 PAIVHYVINCRSPS-APWZRJJASA-N 447.561 1.320 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358963231 DYKPSINCWUSILE-IAGOWNOFSA-N 448.549 1.123 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358964534 ASVIPLILONQDON-GOSISDBHSA-N 443.504 1.979 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1359039051 VNKXUICVNMJKNM-CYFREDJKSA-N 439.560 1.715 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCS1(=O)=O 1359716308 CCWDWQMUOAQSHO-UHFFFAOYSA-N 444.565 1.030 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3nnc4ccc(Cl)cn34)C2=O)cc1 1453810273 HUGFHZWSTPFZIV-HNNXBMFYSA-N 437.847 1.776 30 10 IDEE CONC(=O)C1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1455472550 KUGWCZFCNUEIOA-INIZCTEOSA-N 436.534 1.056 30 10 IDEE N#Cc1cn(C2CN(C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)C2)c(=O)nc1O 1457195616 ANCALNKIGPWDQK-UHFFFAOYSA-N 426.820 1.540 30 10 IDEE C[S@](=O)C1(C(=O)NCCNc2ncccc2C#N)CCN(C(=O)OC(C)(C)C)CC1 1464504432 FNZCOOKLKSSRAI-PMERELPUSA-N 435.550 1.630 30 10 IDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1468950595 COZPLSMJXXHPLZ-FQEVSTJZSA-N 433.560 1.996 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@]2(CCOC2)O1 1494252342 HMEGULTZMRANGW-JPYJTQIMSA-N 440.548 1.779 30 10 IDEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)o1 1498291650 BECRAKDYUIGGTG-MRXNPFEDSA-N 435.488 1.948 30 10 IDEE CC[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1499640908 VNCUWTALJQYHPE-REQNGYFYSA-N 444.536 1.765 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1505018096 CYBALAQGGORKPE-CVDCTZTESA-N 438.532 1.927 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1507539221 SMEAGVCAOGLPQW-LPHOPBHVSA-N 447.561 1.264 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1507630854 IXNOJPXGNSKXTC-INIZCTEOSA-N 428.543 1.780 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1507631297 NTEDTGFLOKEYRX-QGZVFWFLSA-N 428.518 1.563 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1507656888 LQFCDTNPPRFQPS-SFHVURJKSA-N 449.481 1.476 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1507669673 PIHVDQWSOMJMDA-FQEVSTJZSA-N 448.552 1.877 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1507936208 ZSAUYXNACWAAHX-OAHLLOKOSA-N 430.596 1.550 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507966613 AJFZXCYPLBXXHS-QZTJIDSGSA-N 439.582 1.379 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCN(C)C(=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1508103681 GFOKFQBKDUNWLB-QHCPKHFHSA-N 441.532 1.822 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@H]1C 1508135014 CRPWUPZDTAWDQR-CYBMUJFWSA-N 438.941 1.261 30 10 IDEE CSc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)ccn1 1520057516 CFHPBVOLRBKCSC-KDOFPFPSSA-N 436.538 1.787 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 1524950159 JFZFIMNEUKZVLC-RADWXHQJSA-N 445.541 1.943 30 10 IDEE CN1C[C@@H](C(=O)NCCSCc2ccccc2C#N)N(C(=O)OC(C)(C)C)CC1=O 1525250721 BXMBOKROMHQXRN-KRWDZBQOSA-N 432.546 1.985 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCC3(N4CCOCC4)CCOCC3)CC2=O)cc1Cl 1528288431 AXICEPCVIDJAPJ-QGZVFWFLSA-N 446.935 1.562 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1534654582 OGNACJOLXPGZJK-OAHLLOKOSA-N 448.549 1.050 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(C)(=O)=O 1539026639 XLBRPJCEWGEFKT-IBGZPJMESA-N 444.605 1.145 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539206249 NTFSSBTVPQMLAJ-QZTJIDSGSA-N 447.561 1.381 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539211747 OHOQFDARYJJMOK-MRXNPFEDSA-N 447.536 1.627 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539220142 QAUYUTAHJCHCNS-SFHVURJKSA-N 449.621 1.896 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539226215 VLXXUTAKYHZFCH-FQEVSTJZSA-N 436.541 1.528 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1539312479 QNUOCKFBHZJLOQ-UHFFFAOYSA-N 435.513 1.088 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC(=O)NCC(F)(F)F 1539399752 SAMUYOSRGSJHLC-UHFFFAOYSA-N 425.411 1.718 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCOCC1 1539406078 TYNXWYJFRGTWEL-UHFFFAOYSA-N 428.489 1.344 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1539429541 AFWQVESWTHVSNN-JPYJTQIMSA-N 445.539 1.804 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1539443936 BSSXWEZQVIYXLJ-KRWDZBQOSA-N 442.568 1.595 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(N)=O)nc2)CC1 1539484229 IGYPYIQHVIZCNS-UHFFFAOYSA-N 449.559 1.519 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1539729560 KGWFKFWPHAAPAJ-YQQAZPJKSA-N 427.571 1.485 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1539983562 ZNUCMGYSXDTLPV-MRXNPFEDSA-N 434.566 1.887 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCn2nc(C)nc2C1 1540862670 GTNVAVRJCFSCLN-AWEZNQCLSA-N 440.483 1.780 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1540868797 RTXLBPRXPVGKMD-MRXNPFEDSA-N 442.568 1.360 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C1Cc2ccccc2C1 1540896928 XAHULNYWLQGLPW-UHFFFAOYSA-N 443.573 1.719 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@H](CC)C1 1540898101 ZKILNCWQONYRHH-OAHLLOKOSA-N 427.596 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](C(N)=O)C1 1540898806 VOQNJAJBABTONF-MSOLQXFVSA-N 431.562 1.732 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1541088183 AYSNMFZZTCPFLG-HXUWFJFHSA-N 434.504 1.445 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1541117299 CPHMKCQGIHPKOR-UYAOXDASSA-N 438.580 1.802 30 10 IDEE C=CCCn1cc(C(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nn1 1543248068 UGWHNFISDBDMIC-UHFFFAOYSA-N 427.505 1.966 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1544630380 IHEZKMFMYDJWPU-OWCLPIDISA-N 435.546 1.589 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1545124979 CHUMAOOVSYSCJW-ZWKOTPCHSA-N 426.521 1.675 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555992301 MZMAGXKUSIUVEI-MRCUWXFGSA-N 432.488 1.530 30 10 IDEE C#CC1(O)CN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 1558690988 FAAAFIXTUDZBLQ-AWEZNQCLSA-N 437.370 1.600 30 10 IDEE C#C[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCOCC1 1563967824 STRIAWIMRPFYMQ-MOPGFXCFSA-N 428.537 1.010 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1567388517 ZBRZTZJOHMHSCY-HFZMZTSTSA-N 438.525 1.622 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1583488631 FWWFJYAFLWWKKZ-RDJZCZTQSA-N 427.320 1.716 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1587707222 YDGLBWVZYSZAIC-ULQDDVLXSA-N 425.555 1.076 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCC2)CC1 1594097199 NKRPQJBIWRAWGL-INIZCTEOSA-N 425.555 1.073 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1594669285 UVXHOQNHCVLZOZ-JOCHJYFZSA-N 445.568 1.977 30 10 IDEE CC(C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1607937968 AYHMHAMQUCZTMA-SFHVURJKSA-N 437.552 1.163 30 10 IDEE CCc1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)s1 1613904995 DQSACYOTPGDQRX-FZKQIMNGSA-N 435.579 1.772 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 1617773437 DTWSBDWYBNSRQB-OALUTQOASA-N 428.489 1.686 30 10 IDEE C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)Oc2ccccc2NC1=O 1625121001 BJYNXGIEJDDMKN-NRFANRHFSA-N 440.481 1.181 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)COB3O)cc1 1630687128 ITGVSGKDWZIBEN-GFMRDNFCSA-N 441.318 1.750 30 10 IDEE COC(OC)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1633875777 QDCLLJFXMHLMAP-LJQANCHMSA-N 431.514 1.982 30 10 IDEE N#Cc1cc(CNC(=O)c2ccc(I)cc2-n2cnnn2)ccn1 1634630800 GIFRMWKMUCDUGQ-UHFFFAOYSA-N 431.197 1.464 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)c1 1634702314 RBARUOINDCUBQI-CYBMUJFWSA-N 443.451 1.797 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)C2)C1 1636855504 OQVQDNBYGOUZIH-YZEMWESSSA-N 442.520 1.664 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)s1 1641247605 AEDRJXJDIMEQKZ-UHFFFAOYSA-N 444.575 1.762 30 10 IDEE N#CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1642916062 RGFDNDGOGSOOIJ-GOSISDBHSA-N 435.506 1.196 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(=O)n1C1CC1 1653013893 SMXHBSLYCHEANF-UHFFFAOYSA-N 430.386 1.712 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCC(N)=O)[C@H]2CCOc3ccccc32)c1 1655332481 VSSAZJFFZLUKIO-IBGZPJMESA-N 443.525 1.992 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 1656936971 ZETZODXPLGHZFQ-QGZVFWFLSA-N 425.551 1.414 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)cc1 1665968993 ILKZLYWHVHONIE-HNNXBMFYSA-N 444.579 1.286 30 10 IDEE CN(CCOCCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(=O)OC(C)(C)C 1674545158 PHWFKGAQAIPEEB-UHFFFAOYSA-N 432.525 1.668 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCc4nc(C#N)cs4)CC3)C2=O)n(C)n1 1684392704 DWDMJGPOZDYRQA-INIZCTEOSA-N 442.549 1.080 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1689833830 QZESAVRMIPFRBV-MRXNPFEDSA-N 439.545 1.829 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1689913771 VCYIHGSOCAGACN-ZBFHGGJFSA-N 447.565 1.946 30 10 IDEE C#CCCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1689941933 YAUJXHDSWXCILH-OFNKIYASSA-N 431.581 1.892 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1690092270 BUMCLWBBPPNWRN-UHFFFAOYSA-N 426.521 1.252 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2ccnc21 1690092567 NABWVIDGRWHZNV-KRWDZBQOSA-N 434.504 1.786 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690169799 OPOGQFFNNWLVPD-UHFFFAOYSA-N 431.529 1.695 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690278425 AKJPETAFSWIULI-SJLPKXTDSA-N 444.561 1.486 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690288148 KDFYLWCNJMBHMU-SJORKVTESA-N 439.582 1.319 30 10 IDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690530167 IJSSKCUSZVTCQP-INIZCTEOSA-N 429.550 1.420 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690667726 FSLLIQOWVYQJTA-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690670832 JYFOEPGMKYNRCJ-MJGOQNOKSA-N 432.569 1.511 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)Cc1cnn(C)c1 1690725345 NBVVNDQVLDQTGT-UHFFFAOYSA-N 432.525 1.979 30 10 IDEE CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1692420458 NOGVCLHBFHREOK-VHEBQXMUSA-N 443.552 1.407 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1693950109 DLCIKYKNUHJNRM-NHVMRTPLSA-N 446.596 1.976 30 10 IDEE Cn1nccc1CN(c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)C1CC1 1696887286 YFLHCJMNUFPVAY-UHFFFAOYSA-N 440.533 1.268 30 10 IDEE COc1ccccc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1697592776 DXZBLUNWONNVFO-KRWDZBQOSA-N 433.472 1.905 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705507657 BMJQMRWIRFRDBK-QGZVFWFLSA-N 438.598 1.328 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705568760 UUOUWGOECWBAGD-SJORKVTESA-N 448.545 1.527 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705582335 YZRHXUAOWJUVJS-QFIPXVFZSA-N 447.587 1.830 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)C(C)C)CC1 1705638228 CRZYJCGWQACDGH-QHCPKHFHSA-N 435.532 1.756 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705657174 VQXIFPCFUNQBHH-LJQANCHMSA-N 439.566 1.810 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN2CCCC2)CC1 1705768936 DKSUWJBXLIINPA-SFHVURJKSA-N 438.598 1.253 30 10 IDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705894021 LBEVKKHRFRQOHA-BZUAXINKSA-N 428.541 1.915 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705903035 OUXMPGIUILLBDO-MRXNPFEDSA-N 444.496 1.768 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705906611 KDCHBTRWNOXKFQ-OAHLLOKOSA-N 445.911 1.027 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC[C@@H]1C 1705932690 IPPHCQWGCXZKJH-HNNXBMFYSA-N 434.518 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](SCC)C1 1705934765 WOOCRTXVBQZREO-CVEARBPZSA-N 441.623 1.942 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705938128 NPEFGFAJRHCUFS-KRWDZBQOSA-N 437.570 1.465 30 10 IDEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1711100014 FYPIIFVXABYLTB-HXUWFJFHSA-N 427.486 1.596 30 10 IDEE COC(C)(C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1711492523 NFPIIYFXSWVORD-XMSQKQJNSA-N 432.569 1.920 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCOC2)CC1=O 1712468444 DDBLSDBEUPTDGI-RTBURBONSA-N 438.532 1.784 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(COC)CCOCC1 1722284057 VNCNOSLGZSTYOF-QGZVFWFLSA-N 436.520 1.822 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1722371688 XPOBGILLENSVIV-IBGZPJMESA-N 431.562 1.778 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1722382279 GVRACCITIRBPDA-GOSISDBHSA-N 427.530 1.135 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722450670 AZFBQAIBFBOPEB-UHFFFAOYSA-N 438.579 1.408 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722535955 AQMBNZMZGNEVFS-HXUWFJFHSA-N 429.569 1.821 30 10 IDEE C=C(C)COCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722538124 LIYVQEFOARWGFZ-DENIHFKCSA-N 435.569 1.432 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722695066 RKDZKBADBGYKCG-KDURUIRLSA-N 443.504 1.605 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCC)CC1 1722726101 ZOQJOYLJDGGRFM-UHFFFAOYSA-N 448.593 1.627 30 10 IDEE CC(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723632527 NRYLLPMUQWUCRR-UHFFFAOYSA-N 446.515 1.714 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H]1C 1728624161 WAKPXXKIMMYSFN-QGZVFWFLSA-N 425.537 1.785 30 10 IDEE CS(=O)(=O)CCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1731005771 WOWMIAFGEHTYOE-UHFFFAOYSA-N 443.577 1.964 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)Cc1ccccc1 1740556934 GTHOGOFJDYZFBN-SFHVURJKSA-N 443.573 1.864 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740685394 MXQTUQCDMQPRBZ-VQTJNVASSA-N 443.548 1.843 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCOC[C@H]2C)CC1 1740696973 NCGKGNSSGVVAIL-GOSISDBHSA-N 444.530 1.623 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1CCCO 1740733678 JURFNHWJTZSDKH-NZQKXSOJSA-N 425.581 1.979 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)n(C)c2=O)CC1 1740839106 GKYHYQYEIVXGGW-GOSISDBHSA-N 431.562 1.638 30 10 IDEE C=CCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@@]1(OCC)CCOC1 1740950045 JKMNRMZVYNJTRT-LJQANCHMSA-N 433.538 1.823 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)CC1 1740960130 LTKXUVLNBAZFKT-KRWDZBQOSA-N 428.512 1.940 30 10 IDEE CC(C)CCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1741525076 GBWHHDRBROPAOR-HXUWFJFHSA-N 443.596 1.887 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)c1 1742357407 IOBFNNHUABRAJM-LJQANCHMSA-N 436.513 1.547 30 10 IDEE Cc1nn(C)c(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1742657621 ANYROJDEASEJDE-KRWDZBQOSA-N 431.566 1.709 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)n1 1742712533 FEAKPDJDRMIMTM-RBUKOAKNSA-N 426.569 1.989 30 10 IDEE C[C@@H]1C[C@@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1742975221 ASQKUEHRSCJFKE-FHLIZLRMSA-N 430.534 1.700 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1748697806 NYOPLTYARNUADI-UHFFFAOYSA-N 431.504 1.846 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748717897 LENDNAODRTYLST-RXVVDRJESA-N 439.516 1.935 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O 1749147163 BOPZSRAKIXUYKB-IBGZPJMESA-N 427.571 1.368 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749246548 DMGXMFREZFWKLQ-UHFFFAOYSA-N 435.960 1.993 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749680285 HSJYWIFCZHFADG-INIZCTEOSA-N 441.561 1.395 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1750008051 NFOGEJONIQIEFX-PBHICJAKSA-N 429.481 1.133 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CC[C@H](CO)O2)c1 1760124819 BKJWCBOVAKHWPQ-LEWJYISDSA-N 446.511 1.936 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1760184834 ZKFIQAONVBMUEO-IBGZPJMESA-N 443.573 1.594 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760190322 ZSRCHBKPDNODKQ-IBGZPJMESA-N 448.637 1.198 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1760197013 OXUNAIVYGKDDSP-HXUWFJFHSA-N 430.555 1.289 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(SC)CCOCC2)CC1 1760262628 UERIVCNXSNFCJF-UHFFFAOYSA-N 426.590 1.931 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2CN2CCCC2=O)CC1 1760266274 UQEKEOLGZOMJHF-UHFFFAOYSA-N 434.544 1.723 30 10 IDEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1760454765 RMCQJAPALMHBBP-OAQYLSRUSA-N 427.530 1.974 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760523842 JCMYGSCPSVQKGF-KRWDZBQOSA-N 434.541 1.737 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1761232435 CEZLTMYANIAWPJ-UHFFFAOYSA-N 442.524 1.559 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1761366267 WLPMYBSPMPAIBB-PTDBIEIZSA-N 434.541 1.939 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1762698091 DVKBOOPHLSTICF-ZDUSSCGKSA-N 439.501 1.449 30 10 IDEE C[C@@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)C1 1762914206 AZQIKPCOITVDOD-QGZVFWFLSA-N 445.593 1.534 30 10 IDEE CCN1CCN(c2ccc(Cn3c(N4CCO[C@@H](C#N)C4)nnc3C(C)(C)C)cn2)CC1 1765508866 TZBBFDIFUJLEOO-IBGZPJMESA-N 438.580 1.890 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)C1 1767256816 YTIUKWRDOVCHQR-KRWDZBQOSA-N 441.517 1.680 30 10 IDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1767387968 PTQIKBLOONIJHO-OAQYLSRUSA-N 438.532 1.842 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1767497290 JULIVKFWNYWBRY-FUHWJXTLSA-N 437.479 1.496 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1768457861 FJTKNXUWZMWYGK-UHFFFAOYSA-N 448.506 1.689 30 10 IDEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769729001 VURUZTFRWRWLJQ-KRWDZBQOSA-N 427.484 1.603 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1770015237 DFVNDXBBCNYXEG-YUMLTWSLSA-N 432.525 1.765 30 10 IDEE CO[C@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1770580554 CHZSWIFJMJYQFV-PMACEKPBSA-N 438.532 1.927 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)ON2C(=O)c3ccccc3C2=O)C1 1772791168 NHJSVETWOMMVHV-LBPRGKRZSA-N 438.458 1.165 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc(-n3cncn3)nc2)cc1 1851950929 QAFOTRBZCOAOCL-FQEVSTJZSA-N 434.456 1.471 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 1858422304 QTGWALCZTSTZGK-QGZVFWFLSA-N 442.497 1.146 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862184065 ZYBFIYQXIQAGLV-AEFFLSMTSA-N 427.501 1.922 30 10 IDEE C=CCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2c(N(CCO)CCO)ncnc21 1873594684 YOZYWKAUEHFOIQ-UHFFFAOYSA-N 448.527 1.862 30 10 IDEE N#Cc1c(I)ccc(I)c1S(N)(=O)=O 2055358777 NIPYEIICJAOPMT-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C(=O)C1 2124537522 ZAASAFGARRCACC-HWWDLCQESA-N 449.357 1.616 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ncc(C#CCO)cn1 2158601142 VYPWOOKBUKHHQK-UHFFFAOYSA-N 428.470 1.029 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)O 2247253958 AOXUZLWRSUVHGF-LBPRGKRZSA-N 426.250 1.877 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248416072 LPDAXPLSSBYNPS-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2255523340 FVENBECLZOFNOP-ZDUSSCGKSA-N 438.305 1.740 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255650124 YEICFMUDZBBDOG-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255694865 VEJQPVXAVVXLNV-NRFANRHFSA-N 435.330 1.386 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)n1 2255842392 QVCCLUVBMOUNTI-UHFFFAOYSA-N 437.350 1.538 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)o2)OC1(C)C 2255847546 XYXHPUYPCZVHLL-HSZRJFAPSA-N 426.322 1.946 30 10 IDEE C[C@H](C(=O)NCC=CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2256679452 LNHDNQFJGVSJFJ-OAHLLOKOSA-N 437.346 1.758 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)n1 2267118697 MJDRCEHJQXBFIV-QGZVFWFLSA-N 439.369 1.755 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)n1 2267189242 XTMQSVGVGLFCRN-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2272083864 JVTDWYUDOAWOSN-QFBILLFUSA-N 426.491 1.099 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2F)c(C)n1 2296620569 AYBMDUBORUZDTD-FQEVSTJZSA-N 440.475 1.986 30 10 IDEE Nc1ccc(S(=O)(=O)NC2=NC(=CC(=O)c3ccc(Br)cc3)C(=O)N2)cc1 2297508292 PVPVIIIBXOLHKR-UHFFFAOYSA-N 449.286 1.562 30 10 IDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NCc2cnn(-c3ccccc3)c2)C1=O 21627442 GCEVKALOTWZHIR-HSZRJFAPSA-N 428.452 1.827 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 109934497 KQLHPYODPCKRFM-FGTMMUONSA-N 440.525 1.964 30 10 IDEE C#CCN(CC(=O)Nc1sc(C)c(CC)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 111191108 KLNDLUZCJZJFQJ-AWEZNQCLSA-N 426.560 1.856 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 410191308 CSVDVLFOIYRFHU-RDJZCZTQSA-N 439.969 1.761 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CC[C@H](Oc4ccc(C#N)cn4)C3)CC2)nc(C(C)C)n1 428775612 BUVUPJMJFVTYFU-FQEVSTJZSA-N 449.559 1.977 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 435714273 JLUFJJSDPABBBR-INIZCTEOSA-N 443.956 1.856 30 10 IDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 462099309 DUAGZNQHGWWUHQ-UHFFFAOYSA-N 425.474 1.711 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(-c4ccccc4)nn3)CC2)cc1 474382974 ZOAWMDKDANPJGC-UHFFFAOYSA-N 436.497 1.350 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NC1CCC(Oc3ccc(C#N)cn3)CC1)C2 474558334 LYTUANICXCYNQO-RUWAHJQLSA-N 428.489 1.864 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c(C#N)cn1CCOC 481467666 VBNQHIRBVRQURG-INIZCTEOSA-N 441.492 1.763 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 502523266 XIPRSSMOWSXACT-FQEVSTJZSA-N 439.509 1.920 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)N[C@@H](C)C(C)C)CC3)CC2)o1 507363504 SQLBMVZLFMDLIG-INIZCTEOSA-N 430.553 1.376 30 10 IDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508939157 QVIARADTUYACRN-UHFFFAOYSA-N 428.512 1.175 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@H]1CCCO1 521839352 UXABHDPEJFBEBA-QGZVFWFLSA-N 443.544 1.956 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] 530670254 KZWAVPUCAIVGOY-UHFFFAOYSA-N 444.469 1.551 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1-c1ccccc1C 532108814 XXYDGGCZESMFIS-UHFFFAOYSA-N 441.516 1.642 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)CC1 539428793 YTQRTYRKUKYSPJ-UHFFFAOYSA-N 433.406 1.813 30 10 IDEE N#Cc1c(CCCNC(=O)c2ccc(CN3CCOCC3)cn2)nn(-c2ccccc2)c1N 540323946 OTWABKRMMZURLF-UHFFFAOYSA-N 445.527 1.916 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)COc4ccccc4)C3)CC2)n1 544832939 YWQSNZPFPIIOCF-IBGZPJMESA-N 433.512 1.919 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3nnc(C4CC4)n3C[C@@H]3CCCO3)CC2)cc1 549897202 JLYPRBWBTKNTHM-SFHVURJKSA-N 442.545 1.717 30 10 IDEE CCCOc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OC 559691536 CATMVOBPEHHUGA-UHFFFAOYSA-N 437.500 1.716 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1 570473239 QIQAXJCCNIYREI-MRXNPFEDSA-N 444.579 1.429 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 603558184 GBJDJEVUHDJUTF-AWEZNQCLSA-N 431.470 1.691 30 10 IDEE COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609257156 VMEKWERSGKWTHC-UHFFFAOYSA-N 426.404 1.245 30 10 IDEE O=C(NCC#CCNC(=O)[C@H]1CCCN1c1nccs1)[C@@H]1CCCN1c1nccs1 681340293 FHQLWADQPNSMPV-IYBDPMFKSA-N 444.586 1.473 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 726178894 CJEVUYICRSVNGU-KRWDZBQOSA-N 442.585 1.948 30 10 IDEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 729332512 ZSSINAULISWMDO-GOSISDBHSA-N 432.523 1.750 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 731184799 NLTIRMDRDILFDL-INIZCTEOSA-N 436.534 1.926 30 10 IDEE Cc1c(F)cccc1-c1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)o1 734476212 YKILUUSMQJSORM-UHFFFAOYSA-N 436.468 1.732 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCC)sc(=Cc3cnn(CCC)c3)c2=O)c1 735068807 LQRMTIKYOBWCRT-UHFFFAOYSA-N 445.548 1.516 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 749312837 GPLUSQGDYHUJOL-CQSZACIVSA-N 443.547 1.614 30 10 IDEE CN1CCC(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)(N2CCCCC2)CC1 758541072 WQFZVAMNWPLCTG-RBUKOAKNSA-N 448.612 1.995 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1cc[nH]n1 772610902 PDKPUQMUFFJQSX-DZGCQCFKSA-N 437.497 1.455 30 10 IDEE CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)ccc21 780208099 ZMSZRHIYZPIGQJ-FQEVSTJZSA-N 428.466 1.730 30 10 IDEE COc1ccc(NCc2cnc3ccc(C#N)cn23)cc1S(=O)(=O)N1CCOCC1 796392395 DLFCJYMYTPVSIE-UHFFFAOYSA-N 427.486 1.848 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)ccc1OC 806803867 AVCKCVSLQYWDLZ-SJORKVTESA-N 438.550 1.989 30 10 IDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)n1 807931852 KPQGKVVSUHNGGC-OAHLLOKOSA-N 440.464 1.905 30 10 IDEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@H]1CCNC(=O)CC1 815910264 TVDPGPVQZRUTQW-CRAIPNDOSA-N 446.529 1.425 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(CCS(C)(=O)=O)no1 904883709 LLPQMVFHDOKYTD-ZDUSSCGKSA-N 426.520 1.483 30 10 IDEE Cc1c(NC(=O)CSCC(=O)Nc2n[nH]cc2C#N)c(=O)n(-c2ccccc2)n1C 1142808085 CPLKGUBKKLGGEL-UHFFFAOYSA-N 425.474 1.390 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1149971466 BUMRTMFIUHJEQT-KRWDZBQOSA-N 432.546 1.614 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)[C@H]1CCS(=O)(=O)C1 1251322922 OKSUKDPVJDGJFF-TXPKVOOTSA-N 435.521 1.710 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 1278478470 UDAIRQJVSOQHHU-UHFFFAOYSA-N 430.910 1.939 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286324446 PUMKRPJSZGJNNC-NHCUHLMSSA-N 436.560 1.934 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1286386765 HDSXMYXWGJJQGW-QGZVFWFLSA-N 441.517 1.291 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1286409463 MEUGMYZKNUBMDI-QGZVFWFLSA-N 425.514 1.282 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)CC)CC1 1286493569 DXFSCWSOQJDPOV-SPEDKVCISA-N 433.553 1.129 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NC)CC1 1286563375 JQMURIRUMUZUDW-FXAWDEMLSA-N 430.553 1.344 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1286716617 ISHKVPQIPZBQEK-JOCHJYFZSA-N 428.537 1.832 30 10 IDEE C=CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1286737650 SJPLBKUXIHDPCT-QFIPXVFZSA-N 446.573 1.776 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286787771 JISOXOVPKVZVGO-HZPDHXFCSA-N 434.541 1.925 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](CC(N)=O)C1 1286789033 NMTZDLSFCYCMEG-INIZCTEOSA-N 426.521 1.272 30 10 IDEE CC(=O)N1CCN(CCn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC#N)CC1 1286889235 HKPRYDBKIKDGDR-QGZVFWFLSA-N 427.557 1.042 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1Cc1ccc(C#N)o1 1288809073 QKFQZIOMRMBPIK-HUUCEWRRSA-N 448.549 1.533 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300499626 VRIBJKBHKRDBAC-DENIHFKCSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300504746 RLAUBVOUCHMPMH-VQTJNVASSA-N 445.589 1.744 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1300706701 RFRVMYJQGZTCKM-GOSISDBHSA-N 440.523 1.762 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC=C 1300779003 NGLLMGYQNOCVDK-HXUWFJFHSA-N 428.518 1.518 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1301251293 BCKCLHQPZRFOAZ-LJQANCHMSA-N 426.521 1.854 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1301293620 FAMXSIIIBADRSI-UHFFFAOYSA-N 433.520 1.617 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1301497372 UVIBJQOWLJJMSQ-UHFFFAOYSA-N 432.532 1.981 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCCOC1 1303808279 DDGGWPOANNPHDS-QAPCUYQASA-N 432.550 1.823 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1316535855 DXJCCBMWTMSMJB-OAQYLSRUSA-N 447.536 1.688 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2cccnc2)nnc1N1CCSCC1 1316568758 YLYASLOBHQKTCJ-HNENSFHCSA-N 425.518 1.344 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@H](N1CCOCC1)C(F)(F)F 1358874524 YCLPRESNAXBGMY-JYJNAYRXSA-N 433.475 1.723 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC 1358877923 MSTLTAMYOKUPBS-SNVBAGLBSA-N 432.369 1.776 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358967695 QHJDJLYBECKFLW-AZUAARDMSA-N 445.589 1.966 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1358984077 HJWJXMSISCPDDO-UHFFFAOYSA-N 438.576 1.622 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCCN2CCCC2)CC1 1359038169 MNEWSGBEDQYULP-UHFFFAOYSA-N 427.597 1.422 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)nnc1-c1ccco1 1455093872 LVICHGAOJGJOLL-YOEHRIQHSA-N 431.518 1.712 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CCN(c2ccccc2C#N)CC1 1470983611 OBUODJGDPDLTAT-HSZRJFAPSA-N 427.549 1.442 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(c2cnccc2C#N)CC1 1471557768 DGGSBEALLCKYES-UHFFFAOYSA-N 433.509 1.160 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(C)(C)CN3CCCC3)CC2)c1C#N 1492726985 DFSWIXYJXRLDIY-UHFFFAOYSA-N 425.585 1.949 30 10 IDEE CCOC1CC(O)(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1502961568 COHWPMWUYLJYLW-GSVIPDFHSA-N 427.505 1.824 30 10 IDEE CCOCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1503215817 XRIXEOQANAGFBU-QFIPXVFZSA-N 441.536 1.560 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1507660467 UTSOQFKXHSLXBS-UYAOXDASSA-N 448.637 1.862 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(N)=O)c2)CC1 1507724436 PFJODQCJCLJLGG-UHFFFAOYSA-N 429.528 1.361 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)CC1 1507728430 YENXTFJBMOLXIQ-UHFFFAOYSA-N 445.618 1.795 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1508048723 NJKRZLSCCVDBLV-KRWDZBQOSA-N 439.630 1.069 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1508073423 JSAHWNNUZRQJTA-SOLBZPMBSA-N 446.577 1.573 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(CC(N)=O)CC1 1508078822 JVQKPRZVLRIHEC-UHFFFAOYSA-N 433.516 1.887 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1508086049 XGEVMJPUGKMPMZ-UHFFFAOYSA-N 441.561 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1508135153 FCDRZRZWHDXNFY-JKSUJKDBSA-N 440.591 1.804 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1515994391 QQDMSSJCWBTMMI-UHFFFAOYSA-N 425.537 1.237 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1517516537 DEIDRRBVDXQBDZ-UXHICEINSA-N 438.532 1.831 30 10 IDEE COc1ccc(OC)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1518311869 BCCLYRJQHMEUIF-HUUCEWRRSA-N 433.534 1.984 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1518650659 HKRJKVLLLQLYGA-UHFFFAOYSA-N 434.504 1.317 30 10 IDEE N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)cc2Cl)c1 1520451370 GVNMSLGZANGJAE-INIZCTEOSA-N 433.873 1.642 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[S@@](=O)CC)c1 1539042185 CPCFIPXPTPSGEN-ZOKDDAQRSA-N 429.546 1.607 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1539459335 DRVNLJJJRWRBCG-WJOKGBTCSA-N 438.557 1.395 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCCN(C(C)=O)CC1 1540900035 JEAPRADHSRNJKZ-UHFFFAOYSA-N 431.562 1.913 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1540905855 WUEIFHVLOBQVMD-OAHLLOKOSA-N 448.611 1.032 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1543052029 LKFDDJBHBHRZSN-HRAATJIYSA-N 439.524 1.258 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1 1544293138 AFLURGGQPOIALN-HZPDHXFCSA-N 430.571 1.846 30 10 IDEE CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1546761394 UVHACWMWQZYVPO-SGRLSNSRSA-N 437.504 1.406 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1 1548334428 GLECXVQHMRGZPO-UHFFFAOYSA-N 440.533 1.573 30 10 IDEE COc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1555020234 FYHFTCAQNDBOQE-OXQOHEQNSA-N 433.509 1.873 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c1 1556990713 KCNWEEMIXKUUQP-UHFFFAOYSA-N 429.498 1.902 30 10 IDEE CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1564411194 CZYLHDLAMXKVCU-IBGZPJMESA-N 433.578 1.963 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1 1570771291 CCLVDPNNABHZQP-NHCUHLMSSA-N 427.526 1.821 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1584347292 CIQSHWLRAJYTRS-HNNXBMFYSA-N 446.504 1.319 30 10 IDEE C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1586715874 RXMAWBJSZUAMRY-ZFWWWQNUSA-N 429.336 1.757 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588040369 LWYMOUXDBXADCP-HXUWFJFHSA-N 438.557 1.539 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588053932 IXIXIYHXNMNBEN-YESZJQIVSA-N 449.577 1.061 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(CC(C)C)CCO1 1588170558 IQEPBFSFZBKQKN-HBMCJLEFSA-N 429.565 1.432 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1N1CCOCC1 1588214123 IZDGVUNWOBXMAL-UHFFFAOYSA-N 430.516 1.421 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1588228381 FDJUJFXQZGHWIC-YLJYHZDGSA-N 435.619 1.080 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)n1 1588638756 WSIOVBUFRWBAIU-HXUWFJFHSA-N 440.548 1.886 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@]2(O)CCOC2)CC1 1588872023 VVMKBBMBCYJYPD-HSZRJFAPSA-N 441.532 1.162 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1589059729 IKXVKEVOIFTLRW-INIZCTEOSA-N 437.529 1.881 30 10 IDEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593915336 ZYKNOWNQUDKHMU-HNNXBMFYSA-N 430.896 1.065 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1594013601 ITLYSNFBSHPCRV-QZTJIDSGSA-N 439.630 1.071 30 10 IDEE CC(C)(C)NC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1597433794 HMFPFWXFCJQNBL-OAHLLOKOSA-N 427.509 1.925 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1611527041 BVIYQDGYURGGCQ-RBUKOAKNSA-N 441.532 1.721 30 10 IDEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NC(=O)N5CCOCC5)CO[C@H]34)n2)c1 1616132261 LRIHDQKTFJAFSC-UAFMIMERSA-N 436.472 1.004 30 10 IDEE CCOCc1nnc(N2CCC(C#N)CC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1616748596 JXVYCYYGCOFJOW-UHFFFAOYSA-N 429.525 1.809 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1617696982 HROCOUZXBVBEGW-SFTDATJTSA-N 440.548 1.779 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CC(=O)NCC(F)(F)F)c1 1620348708 DBVZEZFWSUMILA-LJQANCHMSA-N 447.421 1.354 30 10 IDEE CC1=C(C)C(=O)N(CCC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1=O 1629236382 OZRXLHAQKGNUQE-UHFFFAOYSA-N 434.500 1.779 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1631187341 CXBMLNHLYASCTQ-KRWDZBQOSA-N 435.322 1.465 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]4CCNC(=O)[C@H]43)CC2)cc1 1633106307 JDDCPYQVUHHSAA-LPHOPBHVSA-N 430.530 1.086 30 10 IDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CCN(C)CC1 1635679684 BWGLGGSQOASMSG-UHFFFAOYSA-N 447.479 1.810 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)OCC)([S@@](C)=O)CC3)cc2C1=O 1635780118 JVGFQVFQKXTMAU-SSEXGKCCSA-N 432.498 1.385 30 10 IDEE C=CC[S@](=O)(=NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 1636975136 AGGMKXLSLFBLQZ-HJFSHJIFSA-N 435.527 1.692 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 1638401602 RVHVMRYBLPIMMV-MSOLQXFVSA-N 428.489 1.550 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)ccc1OC 1640718752 HOVBMWHLERUKGO-UHFFFAOYSA-N 429.498 1.911 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 1658788020 KVVMBGNUGYOESG-UHFFFAOYSA-N 429.590 1.814 30 10 IDEE Cc1c(S(=O)(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)sc2ccc(C#N)cc12 1665069631 FAJJFWJBNUPNRF-UHFFFAOYSA-N 430.515 1.798 30 10 IDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1680492283 DPUVBQCUDHRBRH-OXQOHEQNSA-N 430.530 1.990 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCC3(C#N)CCCC3)CC2)cc1 1683743837 FETAAGAMGGWAFH-UHFFFAOYSA-N 449.577 1.530 30 10 IDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(=O)N1c2ccccc2C[C@@H]1C 1686489102 FHEQWKVMBKBZNY-ULQDDVLXSA-N 433.516 1.935 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689986763 WTLRHBIODSECSB-QGZVFWFLSA-N 442.520 1.801 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690039421 FFOHHRSWEFNLFN-QHCPKHFHSA-N 449.536 1.506 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCN(C)C1 1690095312 MSGFVHFRYHPGNJ-NRFANRHFSA-N 435.475 1.699 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2Cn2cccn2)CC1 1690110524 PLNACNIYUIIRQR-UHFFFAOYSA-N 446.559 1.465 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nccc(C(F)F)n2)CC1 1690132195 KTODHWIYEZDURR-UHFFFAOYSA-N 441.490 1.671 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690137270 RWMRBQIPTLRINB-MRXNPFEDSA-N 435.594 1.366 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)C1 1690699509 GDHSUNCOVRNBRE-QZTJIDSGSA-N 434.566 1.328 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690749947 UZKWJXOZQGUYLD-GOSISDBHSA-N 434.610 1.621 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1693787619 IGGQDOHZMPFPPF-UDJKBAMHSA-N 425.493 1.425 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1696487911 GCRMQNGWMXRHTE-SFHVURJKSA-N 443.533 1.217 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1)OC 1697756769 GTKMPJHDXZDNOA-ICSRJNTNSA-N 426.521 1.831 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(F)c1 1698255436 SCNPYINHCCOKEI-BXWFABGCSA-N 431.468 1.927 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705522621 JSVFGFOAOAEEEB-UHFFFAOYSA-N 440.552 1.653 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705534832 STJCDFPXMBWULI-XLIONFOSSA-N 425.489 1.545 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnccn2)CC1 1705663734 CUBFTZNIHPUQCX-UHFFFAOYSA-N 437.577 1.623 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1705843460 FUUREEHAHQFLGN-QGZVFWFLSA-N 445.549 1.238 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1705889425 SQGZXNDIOJYYSH-UHFFFAOYSA-N 432.535 1.197 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(C#N)o1 1707651319 ZIBKIDVWYSNRLQ-UHFFFAOYSA-N 433.516 1.977 30 10 IDEE Cc1coc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1707716608 QBKZFNHQMQJGIN-CXAGYDPISA-N 436.538 1.465 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1722296524 QZBKOQZQBDZXNE-QAPCUYQASA-N 433.534 1.126 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCCS(C)(=O)=O)c1 1722307308 LLPPKNINODTHHH-UHFFFAOYSA-N 431.562 1.968 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1722431284 JBHXHLGOKSBZKA-UHFFFAOYSA-N 444.624 1.601 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCOC1 1722525806 AZMGMYLIPUHFTP-FQEVSTJZSA-N 434.566 1.792 30 10 IDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722683337 OPUPSVOJTMMAMR-HUUCEWRRSA-N 432.477 1.517 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CN2CCCCC2)C1 1722703003 SSGDAXUXRJHLKL-DYXWJJEUSA-N 446.596 1.617 30 10 IDEE Cc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1724303130 SNNBSKBZMHMICQ-UXRKVSLXSA-N 439.476 1.040 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)Nc1ccccc1 1726405593 BIVJHLBAFLJGGU-INIZCTEOSA-N 431.504 1.992 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1728629855 DPDCZVQJIWQXLZ-IBGZPJMESA-N 428.585 1.387 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(N(C)C)cc2)CCOC1 1728819934 XXIDTDDIPMSCSK-NFBKMPQASA-N 440.548 1.968 30 10 IDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1729345528 NVRIKFMSSKHILC-MJGOQNOKSA-N 444.561 1.999 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1729396342 DDPJGUCGHPBUGG-MSOLQXFVSA-N 437.504 1.668 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)on1 1740539146 NHFQPSBJVODXEY-CQSZACIVSA-N 428.518 1.998 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(=O)OC)CC1 1740542375 URZBBUAOUNLEAU-MRXNPFEDSA-N 449.519 1.857 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1740618483 ILHOFEMZRWEPEW-SFHVURJKSA-N 429.546 1.270 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1740621231 JMABREYDLUVMIQ-AWEZNQCLSA-N 436.335 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740750011 JXZAXQCPNJKGPI-ULQDDVLXSA-N 439.582 1.365 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1740773807 DQZBIVYGXGSFQV-QZTJIDSGSA-N 440.614 1.354 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1740799751 VDTBPIZTQXIMED-XMSQKQJNSA-N 433.553 1.724 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1741728581 VEYYDQYDOVTJEO-ZHNGQKSSSA-N 433.553 1.989 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1744755568 ACOQPTQPIULXDN-ROUUACIJSA-N 442.545 1.499 30 10 IDEE CCN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1746312618 BURDBMGHYFQSSN-INIZCTEOSA-N 447.540 1.500 30 10 IDEE CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1746363787 AGSNPWGUBSAQJZ-QGZVFWFLSA-N 440.533 1.348 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC)c1 1748692108 RKURWFDJTFRXHO-OAHLLOKOSA-N 432.550 1.745 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748810392 VLUNPQMKJWETIU-MOPGFXCFSA-N 444.557 1.686 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1748811099 BQKHMYFNCSAIIQ-INIZCTEOSA-N 444.467 1.688 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748821116 LWPXXUSZMBXKOU-LJQANCHMSA-N 446.577 1.193 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748823983 GPYBHXIKPJPHCK-JQVVWYNYSA-N 444.557 1.664 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1748929949 TVOIVHVPKCRBIK-HNNXBMFYSA-N 435.550 1.991 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCC[C@@H]2C)CC1 1748971664 YKZFYCYQSVZOAM-FQEVSTJZSA-N 427.597 1.534 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)CCCS2)CC1 1748972919 RSYYEJQHEHTHAI-NRFANRHFSA-N 425.562 1.966 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1748983280 LZRTYRCCQDNWQX-QGZVFWFLSA-N 448.980 1.716 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1748983724 AFZCLHIXEKDXMR-LJQANCHMSA-N 447.518 1.579 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749047437 WGFPJNRLTJLPTR-IBGZPJMESA-N 447.536 1.704 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1749211403 XWESNVBRHXINQE-UHFFFAOYSA-N 427.509 1.481 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1749683643 AMXSVLFWZGWTCA-FQEVSTJZSA-N 436.516 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749725532 WDZGBDPUAIJYSE-OXQOHEQNSA-N 436.534 1.832 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1749830211 GLHYEPJIBOHZJO-IRXDYDNUSA-N 447.565 1.006 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1750389432 ZTWLVBWZSHUZAF-UONOGXRCSA-N 437.472 1.311 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1750992219 MVBVILSRXIDBJA-QHCPKHFHSA-N 437.548 1.642 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C1CC1 1751125514 HXWTTZKFNLJSJE-HNAYVOBHSA-N 428.562 1.923 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1760186969 BOWYLMKCYFJATK-UHOSZYNNSA-N 444.561 1.287 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1760201793 JNAHIMNQULASBK-NHCUHLMSSA-N 432.528 1.376 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCOCC2CCOCC2)CC1 1760257675 DPFYJQHUYSCCGN-UHFFFAOYSA-N 426.565 1.872 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760264501 QHRPKTRUJIEVLR-WZONZLPQSA-N 441.532 1.161 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1767230734 BXALYDVMOIGENN-KRWDZBQOSA-N 434.504 1.833 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)C1 1770726672 IKIWUXGKZCFOFN-QRWLVFNGSA-N 445.886 1.582 30 10 IDEE Cc1c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nnn1Cc1ccccc1 1851355930 RXCCHYIYVDMHDD-UHFFFAOYSA-N 431.500 1.881 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1F 1855037752 ICZJSMJJMCOUEK-KDOFPFPSSA-N 436.509 1.071 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CSc2ncccn2)cc1=O 1870300656 OTUFSFSRAQTYPJ-UHFFFAOYSA-N 442.522 1.638 30 10 IDEE CCCCN(CCO)C(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872637243 SNLDDIIAYNTSKF-UHFFFAOYSA-N 447.517 1.672 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3CCC(CO)CC3)ncnc21 1873591028 ATKMETUERYYCIW-UHFFFAOYSA-N 440.548 1.568 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874273584 DXJINNKUYDOGTK-FCQRQVBFSA-N 445.505 1.760 30 10 IDEE CCO[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2146777284 IMNMTTVPMVYGOI-SFHVURJKSA-N 437.518 1.724 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#CCO)ccn1 2164497377 PHFVPCAKZLKPNJ-HXUWFJFHSA-N 431.445 1.192 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390043 OBZVRRHHSGINSZ-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2243676907 PESXTCVIQUHXHM-LLVKDONJSA-N 426.348 1.891 30 10 IDEE CCN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255669150 KFUSJIUKYYKLHS-UHFFFAOYSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255879384 OJVMHHKEPIUZNG-CHWSQXEVSA-N 430.314 1.371 30 10 IDEE Cc1cc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255880259 BYGPDNYWBXXBKI-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2256927573 LOCVJWAQPOODNU-KRWDZBQOSA-N 428.294 1.724 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1Cc1ccccc1 2267121768 BTYGQNLTPLZWMJ-IRXDYDNUSA-N 439.369 1.849 30 10 IDEE C[C@@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267269953 IIWYHCBWBIBZTR-TZMCWYRMSA-N 441.259 1.910 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2267598892 HIEWIAOGYCEOHZ-UHFFFAOYSA-N 447.345 1.197 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267605155 SPFUPAXBVFRHJM-AEFFLSMTSA-N 439.369 1.897 30 10 IDEE C=CC[C@@]1(CO)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2287689532 AMGBQQADPANDFK-YLJYHZDGSA-N 440.518 1.346 30 10 IDEE CO[C@@H]1C(=O)N(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1c1ccncc1 2297646191 DUIJISXHLNBVNV-UXHICEINSA-N 426.498 1.705 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(O)cc1O 2330718637 BIRIRBCVECVGCC-UHFFFAOYSA-N 440.485 1.938 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Cl)c(O)c(OC)c1 2330772822 WOXSHQOOAQBJEP-UHFFFAOYSA-N 427.870 1.429 30 10 IDEE C=C1CC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)(C(F)(F)F)C1 2342707088 SKSLUDQAOSFMDA-CYBMUJFWSA-N 436.408 1.937 30 10 IDEE COc1ccc(/C=C\C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 4468434 IHFYEZVVROUPGW-WCIBSUBMSA-N 433.515 1.184 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 482074859 ZBEMHFWHFAMFOQ-OAHLLOKOSA-N 439.497 1.407 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 503501777 MYUFPPPITXTUQL-SFHVURJKSA-N 433.468 1.635 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 508797267 YVTNBJYOXJCYSC-QYZOEREBSA-N 432.569 1.369 30 10 IDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508880612 MIAWHWOUVAKDBX-UHFFFAOYSA-N 440.548 1.066 30 10 IDEE CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511998322 ZWEGYMSOXDOWFJ-HKUYNNGSSA-N 437.562 1.233 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccc(F)cc1 512768196 XKSLTNIWOXWWLB-UHFFFAOYSA-N 439.516 1.674 30 10 IDEE N#Cc1ccc(N2CC[C@H](C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)C2)c(F)c1 517161418 VQFQJRNSIXXMHU-IBGZPJMESA-N 427.524 1.584 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541800378 YSEBFPCSVSQSGJ-UHFFFAOYSA-N 444.513 1.192 30 10 IDEE O=S1(=O)CCN(CC#CCN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@H]21 551394254 IYXROOFQUQWDRV-VNTMZGSJSA-N 428.620 1.073 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC)c(=O)n1C[C@@H]1CCCO1 553659771 FJTHFQSPRKLALD-KRWDZBQOSA-N 441.553 1.517 30 10 IDEE CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1cccc(Br)c1C#N 553880813 IVWFOPSZKQBUEP-UHFFFAOYSA-N 430.305 1.598 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 555263084 FPUIURKNMLBTLH-DLBZAZTESA-N 448.549 1.240 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1-c1ccc(F)cc1 568863377 VJKGFIHAYOBDER-UHFFFAOYSA-N 427.432 1.435 30 10 IDEE COc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F 573072299 DBEFZJGHNNAKFC-CYBMUJFWSA-N 428.468 1.274 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2nccc3ccccc23)c(=O)n1C[C@@H]1CCCO1 610128522 VXRMDJUUYQGHHO-KRWDZBQOSA-N 448.548 1.665 30 10 IDEE COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1OC 619569773 NEXYHPAGVVIJQQ-IBGZPJMESA-N 449.511 1.463 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 728531499 LBQZDWUEVIEXGF-MRXNPFEDSA-N 437.466 1.210 30 10 IDEE COCCOc1ccc(-n2nc(C)c(C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 735031966 NZKZXMDJVRQIOY-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE CN1CCC[C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1cccs1 741604497 DKXWGNVXOWWLSM-AUUYWEPGSA-N 432.571 1.986 30 10 IDEE NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)OCC#Cc3ccccc3Cl)CC2=O)c1 747065280 ORWDJADDLFFWFW-HNNXBMFYSA-N 432.885 1.935 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)COc2cccc(C#N)c2)cc1 747314451 JCGXTPRPIRYPCE-UHFFFAOYSA-N 427.442 1.150 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)C(C)(C)C1 757103966 SCXMKSVVZCMFBQ-OAHLLOKOSA-N 441.575 1.320 30 10 IDEE O=C1C[C@H]([C@H]2CCCCN2C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CN1 765286134 LQQQBZYGNLPDOC-FUHWJXTLSA-N 446.573 1.803 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cncc3ccccc23)c1=O 772899180 TYNFFMMFRNGFDE-UHFFFAOYSA-N 448.548 1.476 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774580031 ANYLUCXFRVHRKE-PVAVHDDUSA-N 443.529 1.262 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CCC2CS(=O)(=O)C2)C1=O 786681901 DJRLNTNDBCSFGC-OAHLLOKOSA-N 425.532 1.198 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@H](CO)c2cccnc2)c1 806218194 RYUTVUORMRYOAV-PWEHGMCJSA-N 431.518 1.792 30 10 IDEE C=C(COC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(=O)OCC 808655298 GCMGGOZYYHZPFY-UHFFFAOYSA-N 440.518 1.298 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)n1 812977748 QHWKYBFXSRAFTG-UHFFFAOYSA-N 437.460 1.564 30 10 IDEE CCN(C)Cc1cc(O[C@H]2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)ccn1 856636167 YCHUSRKHHRSNQU-ZREAOVPFSA-N 427.505 1.430 30 10 IDEE CN1CCC(NC(=O)Nc2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 1116178023 HSGNSDNYBGYAAG-QZQOTICOSA-N 440.504 1.757 30 10 IDEE CCOC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1125126042 OWIHPFDNFKPHDV-MPUISCFQSA-N 440.547 1.969 30 10 IDEE COc1ccc(CC(=O)NCc2ccc(C)c(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1133348628 DTWVEUYOOPPWGK-UHFFFAOYSA-N 443.525 1.755 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1134718212 FNSUELZZGMLUEB-QGZVFWFLSA-N 444.557 1.541 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 1142773057 HFCYAKMXAMTZLF-BJJXKVORSA-N 447.966 1.230 30 10 IDEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCN(CC(F)(F)CO)CC1 1143939596 LDHPODGYFUXMSF-UHFFFAOYSA-N 436.328 1.217 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(CCn4cncn4)CC3)C2)C1 1147842976 GKGCVFKPXKIPJP-DKTYTTGXSA-N 443.552 1.209 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)C1=O 1155857879 JATRTUMPHMCZCF-WBVHZDCISA-N 432.525 1.709 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1160234476 DBKPBUQXNXOIKQ-VLIAUNLRSA-N 435.550 1.732 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)o1 1176977666 MQMGLROIMGJATJ-HOTGVXAUSA-N 444.536 1.300 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(F)cc2I)CC1 1207302243 OQHUOBULURQNHU-UHFFFAOYSA-N 437.278 1.016 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3CC)CC2)nn1 1230272538 VWEZYIMKMZJNDC-QGZVFWFLSA-N 426.521 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1248670019 GCXBLYFYFBLJAV-LJQANCHMSA-N 444.536 1.811 30 10 IDEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1252548942 LIIMQZDXWWSGIS-LLVKDONJSA-N 444.897 1.193 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 1286350256 XZXQJXWYMJGWAB-GOSISDBHSA-N 435.525 1.800 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286389283 HHHNKQAKSHAWSI-SFHVURJKSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286389970 UJWQSKRELXWXJC-GOSISDBHSA-N 446.577 1.512 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286390263 ZKZNSLXJIZYOQB-QGZVFWFLSA-N 432.550 1.122 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286395265 MKDYCGVOKGFYBF-MRXNPFEDSA-N 446.529 1.017 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1286406208 SDEJMDAWJBMMHE-UHFFFAOYSA-N 442.317 1.639 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C 1286778710 DLUZTYBVVDCKQT-GJZGRUSLSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)OC)CC1 1286783742 KLOMMFWHQBPGBV-UHFFFAOYSA-N 443.504 1.654 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccccc2OC)CC1 1286785747 RPEUHHULHMOZJR-UHFFFAOYSA-N 449.559 1.917 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CN2CCOCC2)CC1 1286819835 XHUGANZDCGTDLI-UHFFFAOYSA-N 437.610 1.695 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1287280224 KZGRFUPZAWDRKL-IBGZPJMESA-N 447.561 1.739 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)n1 1289950472 DSUSDVBIEUIQNB-UHFFFAOYSA-N 444.561 1.718 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1296663210 HTTAUMWRMQGOPD-AVRDEDQJSA-N 440.504 1.067 30 10 IDEE CN(c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1298181835 DJFMRCCMKJVABO-UGNPLGLKSA-N 436.516 1.815 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300268103 NENDVFUQHRWIGZ-MRXNPFEDSA-N 441.536 1.227 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1300365504 YEWZSCFHAFEWLO-KRWDZBQOSA-N 441.598 1.666 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(C)CN(C)C2=O)n1 1300680471 CNKQXDVVSIFFAE-GCJKJVERSA-N 441.536 1.091 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1300990530 FSENGYGFZBOMDF-SFHVURJKSA-N 445.593 1.909 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301152165 VOUKBMXACFHJOT-IRXDYDNUSA-N 439.582 1.124 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1301481206 JCQUAEVWOSDFMO-MRXNPFEDSA-N 444.511 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H](C)CC(N)=O 1301483284 NFJGVLJIQJVSMB-LBPRGKRZSA-N 435.326 1.710 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301491712 VSHPBHPKPGQWHM-UHFFFAOYSA-N 438.561 1.729 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCC(N)=O)CC1 1301493165 VLNKKQLAPXHFEI-UHFFFAOYSA-N 431.928 1.778 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCSC2)C1 1301568138 OXTUCJLXQIUPSU-IBGZPJMESA-N 439.607 1.448 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301596660 VHTWJWZWIDURKM-XDNAFOTISA-N 442.582 1.607 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCCS2(=O)=O)cs1 1304670546 RDOXNKKNYORAGW-IBGZPJMESA-N 449.606 1.799 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@H](C)O1 1305207877 XQUVGTBKANRQPL-IRXDYDNUSA-N 427.505 1.884 30 10 IDEE CCc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1306171802 VJOZQVVRDQNGQT-MEUCICPISA-N 429.525 1.108 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CC2CC2)[C@H](C(N)=O)C2CC2)CC1 1308017752 NEFGPHWXOTVZKF-UNMCSNQZSA-N 427.524 1.510 30 10 IDEE COC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CCO1 1315955294 REKXDQLLCTYLBS-MRXNPFEDSA-N 442.501 1.634 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 1316227917 RFZVRIOIQWGPAA-SJLPKXTDSA-N 447.561 1.992 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)n1 1321396824 DPDLSAZCTXWNKR-UHFFFAOYSA-N 438.893 1.338 30 10 IDEE C=CCO[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1325253854 GSEKRHJGKNWZAH-SFHVURJKSA-N 435.546 1.103 30 10 IDEE C#CCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358935207 ATERQIMJORKKRS-JOCHJYFZSA-N 430.553 1.726 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1358969780 WSDHCQMVTCSATB-MSOLQXFVSA-N 440.573 1.412 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1359018767 BIIXXTZOFFFAHX-INIZCTEOSA-N 447.561 1.095 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(C)c2)CC1 1359040103 IGYHBXIKPSZXNQ-UHFFFAOYSA-N 440.573 1.898 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359135806 PFUVGPGZTGTXQF-UHFFFAOYSA-N 437.504 1.528 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359303298 JJXDZFPJLUPQHB-MBSDFSHPSA-N 425.533 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)C(C)(C)C1 1359326573 DEGZSMVXXWXKIF-HNNXBMFYSA-N 448.549 1.387 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1359330675 ZCHBBJKMMXMRIH-KRWDZBQOSA-N 442.545 1.937 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)N(C)C 1360542436 VXMCWBKOPHTCIV-KKSFZXQISA-N 428.562 1.782 30 10 IDEE C#CC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br)C(=O)OC 1451183289 VZHFPXDHEGBCFV-CABCVRRESA-N 441.347 1.982 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1460069076 UORMPAYREUSYDP-MOPGFXCFSA-N 449.573 1.376 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@@H](C#N)CCc3ccccc3)ncnc1-2 1464938884 SRRBYOBXBRNFRC-CQSZACIVSA-N 442.321 1.800 30 10 IDEE Cc1ccc(C(=O)N2CCN(c3nnc(C)n3C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1469682022 RWEWUVDJVGJPEE-UHFFFAOYSA-N 425.342 1.694 30 10 IDEE C#CCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C1CCN(C)CC1 1472033769 HVZACABFUWGOLG-UHFFFAOYSA-N 427.545 1.925 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCO[C@](C)(C#N)C3)cc2)C[C@@H](C)O1 1473838005 QFWULKLXSGTAIR-JXXFODFXSA-N 436.534 1.037 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1494603681 UVIZXHQZXLAZKN-HKUYNNGSSA-N 426.521 1.675 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C[C@@H]1C 1503889921 QZTFUVVWXRTBFH-DMPWYTOCSA-N 440.504 1.634 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cc1OC 1504204152 YGZVXLCMBWYWFD-DLBZAZTESA-N 429.477 1.497 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507622579 JUPLSKJBCTUCMM-JKSUJKDBSA-N 442.545 1.598 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507623682 VQPFLBIPGIZPKX-CVEARBPZSA-N 444.623 1.632 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507654266 CMVIROHVSFTYAF-IBGZPJMESA-N 441.557 1.520 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1507691050 ZUQDYUZFJSGYRK-HNNXBMFYSA-N 425.555 1.555 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507721083 YFBMYCBIOMNUJO-QTEQDKRBSA-N 447.580 1.125 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1507731788 OXXHLCYDFXINKW-YADHBBJMSA-N 443.640 1.201 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507732023 HJCIWQHAVWBPTJ-VGSWGCGISA-N 429.496 1.291 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CC)CCOCC2)CC1 1507734347 VXPNMECFOKMOIW-UHFFFAOYSA-N 444.580 1.589 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507753503 ODANCGZWXIZEGS-MRXNPFEDSA-N 430.578 1.262 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1507836873 CAWBLOLQXAXYCY-DLBZAZTESA-N 426.587 1.156 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1507844183 DLLZUCYBAMLUFP-KRWDZBQOSA-N 448.568 1.922 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1507954851 QRBWWFMGACUTIM-QFBILLFUSA-N 441.623 1.911 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1508094564 GYQRZCWBWMFKTM-SFHVURJKSA-N 440.523 1.911 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1509814168 FLHNWSMEPDXZQQ-MAUKXSAKSA-N 446.474 1.542 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1509814170 FLHNWSMEPDXZQQ-QAPCUYQASA-N 446.474 1.542 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@H]1CCOC1 1513925999 ZMUHXKLUZQDULD-GOSISDBHSA-N 425.537 1.877 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1517273492 ZCMNUPXLQVUMBQ-ZZEZOPTASA-N 433.476 1.269 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCNS(C)(=O)=O)c1 1539043018 MNPABIIKVAIXMZ-UHFFFAOYSA-N 446.577 1.472 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539155451 VOFBREXGYYLNGF-QFIPXVFZSA-N 446.573 1.981 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)COCCO2)CC1 1539438177 QNDDPKJMDRMFRB-NRFANRHFSA-N 426.477 1.414 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc([C@H](C)O)cc2)CC1 1539462418 GRXSNYIXFMOGHI-NYVOZVTQSA-N 439.560 1.859 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1539482679 WHQMGQFACINFMQ-NHCUHLMSSA-N 442.608 1.868 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539810263 QJHPKFHLFRHGBV-FQEVSTJZSA-N 429.912 1.831 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(COC)n2)CC1 1539875393 XFGKNUZNLCEPFZ-ZDUSSCGKSA-N 440.595 1.942 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1540200688 HFDHXBPWUWVDPE-SFHVURJKSA-N 439.626 1.941 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 1540590817 BPXSKZIEBSPANL-UHFFFAOYSA-N 441.922 1.748 30 10 IDEE N#Cc1c(CCCNC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)nn(-c2ccc(F)cc2)c1N 1540831937 AVVWPKHDQXVXEJ-FFGGFLGDSA-N 445.520 1.870 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540867511 YRYBDCUBWPLKEQ-OAHLLOKOSA-N 439.394 1.744 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1541274832 DKTXNCXUFSYTQV-OAHLLOKOSA-N 439.586 1.181 30 10 IDEE C#CCCOc1ccc(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 1542963946 QIKFISGPAYVARI-FQEVSTJZSA-N 434.558 1.440 30 10 IDEE CCOCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1548278018 XBKACVWUDGYWCL-QFIPXVFZSA-N 441.536 1.560 30 10 IDEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1555723123 OJKHGPHYORBEIL-IBGZPJMESA-N 426.521 1.643 30 10 IDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCOCC2)CC1 1555991908 AAAITEURGSZWEG-UHFFFAOYSA-N 430.534 1.551 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC 1562771915 IXAVSZURZLVPSQ-UHFFFAOYSA-N 440.518 1.924 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)CC1 1570205581 SRYLYMQOVRHFSW-SJORKVTESA-N 426.535 1.051 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1588128774 SCMROEVUQIDQPN-KRWDZBQOSA-N 437.500 1.571 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@H]1CO 1588171257 XPGULORRWNFGCY-FQEVSTJZSA-N 426.565 1.214 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)N(C)C)CC1 1588780953 YXYORHGKTPFCDB-UHFFFAOYSA-N 449.328 1.690 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1588812502 RUCRYRZIBHIPMC-LJQANCHMSA-N 425.533 1.993 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(=O)NC)c2)CC1 1588848271 BVGWMHMANQLKSL-UHFFFAOYSA-N 429.528 1.427 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)CCOC)CC1 1588924230 XWKVRNHNQXLLQR-QHCPKHFHSA-N 440.548 1.402 30 10 IDEE CS(=O)(=O)Cc1nc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)co1 1611213578 KZCYOKYONWEUSP-UHFFFAOYSA-N 425.470 1.601 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1611292079 JGQRAKBFSAPVGG-RDJZCZTQSA-N 433.534 1.892 30 10 IDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)C2=O 1611648599 BHUDHJUGIGJAAD-FPTDNZKUSA-N 442.472 1.391 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1617907291 CBQNYGNBUWYGKT-HXUWFJFHSA-N 426.502 1.331 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCOCC2)C1 1624432684 BHXIAFGLWFOTCP-GOSISDBHSA-N 448.589 1.609 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2NS(C)(=O)=O)s1 1624569192 XUAZWUIIGOWXJM-UHFFFAOYSA-N 443.572 1.443 30 10 IDEE C=CC[C@@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CCCN1C(=O)OC(C)(C)C 1628211811 HFMYCGNFPOGDMP-QFIPXVFZSA-N 448.568 1.845 30 10 IDEE COc1ccc(CNC(=O)/C=C\C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1633661906 AOJYAMRHHWUQPI-KABQWYEXSA-N 428.489 1.743 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2S(=O)(=O)CC)cc1 1634180989 VKVMNDPGTPRVMJ-UHFFFAOYSA-N 436.555 1.917 30 10 IDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(N2CCNC2=O)cc1 1638742247 GQIQZEYQJHOTND-HNNXBMFYSA-N 426.498 1.880 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1CC1CCCCC1 1643028609 HQMMBMFIWOQJTB-BEFAXECRSA-N 432.546 1.522 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N2CCC[C@H]3CCCC[C@H]32)c1=O 1652998315 NZMXVAHAOQIJTM-NVXWUHKLSA-N 430.505 1.405 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O 1653039319 FISCGQMOAABLGB-JTQLQIEISA-N 440.403 1.364 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3Cc4cccc(C#N)c4C3)CC2=O)C1 1687781970 FRRGDONUZLFANR-INIZCTEOSA-N 425.489 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1690143769 AYGINAZDWPKVER-MDZRGWNJSA-N 442.564 1.399 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1690527309 MYFZCSADYKHGKG-LJQANCHMSA-N 449.577 1.793 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1690611602 RTIHPPRBBOMTCA-UHFFFAOYSA-N 432.344 1.719 30 10 IDEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1691463137 CRECNBWXXSZVRL-SFHVURJKSA-N 447.547 1.982 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccc(C#N)o2)cs1 1693355047 WUQTVCHOQLNBTO-UHFFFAOYSA-N 441.517 1.618 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)c2ccccc2)CCOC1 1696023410 GBGFDJVEIHIEOP-LAUBAEHRSA-N 447.561 2.000 30 10 IDEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)CCO2)c1 1698485516 GMJUSIVDLHIYIG-DLBZAZTESA-N 446.458 1.960 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1705497471 BFOGAECSQLCFQN-IAGOWNOFSA-N 426.546 1.799 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CC(OCC)C1 1705500192 INGXGPBHTKCJBE-HGCBZUSOSA-N 444.580 1.128 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C(C)C)N1CCOCC1 1705545106 PAOIOMFXKRHOHK-HXUWFJFHSA-N 445.589 1.775 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC1CC1 1705600242 QXJGGMRGWSSTRT-UHFFFAOYSA-N 431.587 1.922 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)C(C)(C)C)CC1 1705643961 WMDKGPONVAMLFK-GOSISDBHSA-N 444.580 1.541 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1705647859 NLIFCLRDBPQPCY-STSQHVNTSA-N 442.564 1.543 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)CN2CCCC2)CC1 1705649637 DAXUGKNRKQNRMV-FQEVSTJZSA-N 449.603 1.962 30 10 IDEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705719854 NIMTYDXWXXFNQU-NRFANRHFSA-N 445.545 1.681 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1706935256 OFZNLUMIFUSNHW-YWZLYKJASA-N 446.533 1.220 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1711234678 ADOCTOABZWJNQA-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CCO1 1712287386 HCMCCQJYKSBRLL-NRFANRHFSA-N 440.548 1.781 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712674964 NQXVNWXPUWDCHY-JLUOLNIDSA-N 433.472 1.568 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1722366934 LDIGLUPTFGTZPV-RBUKOAKNSA-N 444.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1CCN(CC)CC1 1722382804 ODIDQQIHCFJVNP-UHFFFAOYSA-N 425.606 1.734 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2ccnn2)CC1 1722434407 QSZKNLJZLFCIJG-UHFFFAOYSA-N 436.520 1.399 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccccc2)CC1 1722447224 GNPKMKYUTKVZOY-LJQANCHMSA-N 436.516 1.274 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)C2CC2)CC1 1722449555 UTJYBUOMYVGQSD-SFHVURJKSA-N 435.576 1.712 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722527511 LSZKQMREKVQMGK-HNNXBMFYSA-N 427.465 1.159 30 10 IDEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)CC1 1722620802 UWASYNKWJZVJIA-UHFFFAOYSA-N 437.592 1.935 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1722680056 VGJZIHRBVLQFGB-PKOBYXMFSA-N 438.532 1.921 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1722692591 SEYSZALGRJEQQZ-QLCIJSRNSA-N 446.577 1.653 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1722861316 IPEHBNMKJKSLDW-MRXNPFEDSA-N 439.520 1.636 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCC(C)(C)O)CC2)c1C#N 1725866756 FJCXXSRJEKETGE-SFHVURJKSA-N 442.568 1.921 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC4(CC3)COC(=O)N4)n2CCOCCCO)cc1 1731180968 JPDKLFLCWPDONE-UHFFFAOYSA-N 426.477 1.295 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740576116 XVJYOLYWWJBAFV-RTBURBONSA-N 435.594 1.285 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCC(=O)NC 1740757581 PQHOJYANOOUICS-YWZLYKJASA-N 444.536 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCS(C)(=O)=O 1740957006 YDQGDLMIODAATO-UHFFFAOYSA-N 441.941 1.390 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740963541 NZJJUMNEYGBXNC-QHCPKHFHSA-N 440.548 1.739 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1743197255 HGFLUWNQPYWYHH-MRXNPFEDSA-N 435.532 1.790 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CCC(C)(C)O 1743232854 IGWVIAYGUTZOBR-IAGOWNOFSA-N 440.552 1.710 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1747219430 HLKINMOMGYYDDI-SNVBAGLBSA-N 433.822 1.997 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1748731974 PISSLLVUMQWDRB-PBHICJAKSA-N 434.570 1.352 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748818412 ZMFJIRHRPZOTJK-JKSUJKDBSA-N 436.484 1.735 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1748944909 ITRDDBCNTBFVSD-OALUTQOASA-N 427.480 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)COC)CC1 1749003299 DVZVBZSRAYLRKG-VGSWGCGISA-N 433.553 1.179 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1749222367 GIPDTBRAGHDAEZ-UHFFFAOYSA-N 438.532 1.993 30 10 IDEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749280716 QGFAORWCWYOESC-RHSMWYFYSA-N 436.896 1.978 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749376521 LCMIFPGMTNENFW-IRXDYDNUSA-N 430.484 1.805 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@](C)=O)CC2)C1 1749718254 UMLFISPXIQRKFL-FOGNVHKLSA-N 449.602 1.962 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749756199 URTQFHXIBLYNRI-CABCVRRESA-N 428.580 1.489 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccnc1-n1cccn1 1750060650 IEDLGXUAOQFCKC-GJZGRUSLSA-N 443.537 1.113 30 10 IDEE CS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](F)(C#N)C1 1750204881 DELUQOFJOHXFCY-IBGZPJMESA-N 429.481 1.822 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760135599 BQFJCVYDPQMSEQ-UHFFFAOYSA-N 432.536 1.722 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1760137290 HYSDNNBIIOZRQL-GOSISDBHSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNc1nccc(C(F)(F)F)n1 1760209074 UONWVMQCDSKPMV-UHFFFAOYSA-N 448.453 1.800 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1C 1760219607 IUZUGEZZUAZFOX-FHWLQOOXSA-N 433.578 1.510 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC(C)CC2)CC1 1760251840 JDYIJYSGUJPLBA-UHFFFAOYSA-N 436.564 1.413 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2scnc2C)CC1 1760270192 UEVVGEHBWBKZPS-KRWDZBQOSA-N 428.562 1.755 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760314203 UTVAPTVIWZIFPK-IHRRRGAJSA-N 442.314 1.552 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1760445815 WNYWGWKCCJNQCB-UHFFFAOYSA-N 446.596 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)OC)CC1 1760523165 OGFAJSDVSRSJII-UHFFFAOYSA-N 449.515 1.822 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1760689145 SMZSTXRFQCGYJR-ILXRZTDVSA-N 426.543 1.027 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1767713309 QSLJIZSSKMEMCG-JKSUJKDBSA-N 432.431 1.192 30 10 IDEE CCOCc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767828828 LYDQOJZBAFVWIY-BSMWSGRKSA-N 430.509 1.204 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1768593178 LYJAHGWYBHJZFK-UHFFFAOYSA-N 448.549 1.124 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1769357604 RIVGOWMRJDDGHT-INIZCTEOSA-N 431.472 1.175 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCC2)CCO1 1770751358 HENFQSRGHXCCMD-INIZCTEOSA-N 429.550 1.484 30 10 IDEE N#CCCN1CCN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2-c2ccncc2)CC1 1848529858 XCMDNXSNBZIPCU-UHFFFAOYSA-N 445.483 1.772 30 10 IDEE N#CC1CCN(C2CCN(C(=O)Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)CC2)CC1 1848561111 VWDOCPLWNUHETG-UHFFFAOYSA-N 449.511 1.866 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccc(C#N)c(F)c3)CC2)cc1 1852687630 ZNZAOICRUCABOB-UHFFFAOYSA-N 447.488 1.869 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cnn([C@H]3CCOC3)c2)cc1 1852775053 ORHVFOWIBCPEIF-PZJWPPBQSA-N 426.473 1.653 30 10 IDEE COc1ccc(OCC(=O)OCCN2CCN(c3ncccc3C#N)CC2)c(OC)n1 1852826385 SOYLVMRVOHKGSK-UHFFFAOYSA-N 427.461 1.110 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2sc(-n3cccc3)nc2C)C1=O 1854226924 SHFZIXIAQMIMAJ-HOTGVXAUSA-N 427.530 1.702 30 10 IDEE CN(C)CC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(CCC#N)c3ccccc3)ccc21 1855119867 XVOKKNSSNKYOPU-UHFFFAOYSA-N 426.498 1.773 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 1862756412 ODWMQVVLUGXDPX-SFHVURJKSA-N 426.381 1.937 30 10 IDEE N#Cc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCN3CCOCC3)C2=O)cc1 1863239187 ZBXFBLKVQQBTPY-UHFFFAOYSA-N 447.451 1.991 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(CC)cc1 1865729126 LSTXYQBWSSIYNS-KRWDZBQOSA-N 436.512 1.542 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 1866117557 XSWVZZNBGLSSNN-MRXNPFEDSA-N 425.401 1.965 30 10 IDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)Cc1ccc(NC(C)=O)cc1 1873710748 SLFHNSGFTNWXCB-UHFFFAOYSA-N 428.514 1.969 30 10 IDEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1 1874292944 UKAVXBDVCQDUOP-ZVBGSRNCSA-N 429.458 1.737 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCB2OC(C)(C)C(C)(C)O2)S(=O)(=O)C(C)(C)C1 2020877504 ITALCUMNHJIUEI-CYBMUJFWSA-N 446.375 1.547 30 10 IDEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634213 WTPLHWHMFDVJKV-UHFFFAOYSA-N 431.262 1.493 30 10 IDEE O=C(O)c1cc(S(=O)(=O)NCC#CBr)ccc1I 2077492594 OUJJIASWLJKAHC-UHFFFAOYSA-N 444.044 1.624 30 10 IDEE CN(C)C[C@H]1COCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172773404 ARGSBCHINPXRRW-AWEZNQCLSA-N 426.164 1.910 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2250779466 SYQOZPPFISFXKY-CYBMUJFWSA-N 447.479 1.636 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1 2255620455 BNICBJIUNAFPBS-UHFFFAOYSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2255658360 CAXWAKPTEAWKCX-UHFFFAOYSA-N 436.270 1.383 30 10 IDEE Cc1ccc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255679983 WUYACCKBOWPTEO-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255824700 MWISYLNRNRYJOC-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829575 RHPLQSBCYUORKH-KRWDZBQOSA-N 429.326 1.369 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267000287 VWJQGOLYJSPILF-HNNXBMFYSA-N 447.341 1.435 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267001159 HPXSRQJZMAMYBZ-IAGOWNOFSA-N 447.341 1.481 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2267270426 LIPBGTUAJRPSSO-LRTDBIEQSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267272643 BJDGGIXJUJREDV-QFIPXVFZSA-N 447.341 1.794 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2267273066 HOOZSAIGJGXFQG-MCIONIFRSA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CC(CO)C1 2268698324 AGQNIXBKMJLDAO-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2337203815 CKMGGGNUOVOCTP-RRFJBIMHSA-N 446.357 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2337205614 YNBQKUOJGGVFKV-QDMKHBRRSA-N 446.357 1.562 30 10 IDEE C#CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)[C@@H]1CCS(=O)(=O)C1 111047849 NDMQXZXIYGRCCA-CQSZACIVSA-N 449.554 1.888 30 10 IDEE CCCOc1c(OCC)cc(/C=N/NC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 169884303 MGXQNRKKVHVRLB-KGENOOAVSA-N 439.538 1.913 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(C4(C)CCCC4)on3)CC2)c1C#N 435309808 ZZKRCIYUXURUOO-UHFFFAOYSA-N 425.493 1.707 30 10 IDEE CSc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 443993017 IAJABTCBKSOYEQ-UHFFFAOYSA-N 437.568 1.975 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 478842875 GMEXVVJOKFDWNT-MRXNPFEDSA-N 446.532 1.929 30 10 IDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1cccc(OC)c1 481389674 AJNGWFGESUTROT-UHFFFAOYSA-N 445.545 1.549 30 10 IDEE COC(=O)COc1cccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 504721490 CEQWBJVEAMBSBM-GOSISDBHSA-N 436.424 1.954 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OCC)cn2)CC1 508482607 YZXNHIFTOGHQAQ-QGZVFWFLSA-N 428.493 1.450 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 508578792 MWKMLMZUVFFZKA-UHFFFAOYSA-N 429.458 1.964 30 10 IDEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508845361 NGSGYJCNGYBLOI-UHFFFAOYSA-N 443.515 1.737 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 511087526 YMTUJBGGGVLWCM-UHFFFAOYSA-N 429.505 1.585 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C1CC1 517985887 YKSBZHXAAXMJLI-OAHLLOKOSA-N 441.553 1.524 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCO2 522692904 BSOCTIWEXMOANI-UHFFFAOYSA-N 431.473 1.433 30 10 IDEE C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCN(c2cccc(C#N)n2)CC1 544835277 GXPRTHMISUAMTK-XMMPIXPASA-N 444.495 1.601 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 549666904 IZEQTCYVGIJFMZ-UHFFFAOYSA-N 438.540 1.537 30 10 IDEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549694215 YLUMKEWYACXABV-UHFFFAOYSA-N 442.539 1.950 30 10 IDEE COCc1nc([C@H]2COCCN2S(=O)(=O)c2cccc(Br)c2C#N)no1 577546634 XEPGOQPUANYSRN-GFCCVEGCSA-N 443.279 1.612 30 10 IDEE Cn1c(=O)c2c(ncn2CC(=O)N(Cc2ccccc2)c2ccccc2C#N)n(C)c1=O 580944395 GXHYARMTVIHXJH-UHFFFAOYSA-N 428.452 1.539 30 10 IDEE Cc1cc(C#N)cc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)n1 587096869 YRNHPNODCXCBSO-UHFFFAOYSA-N 447.904 1.757 30 10 IDEE CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn4ccccc34)c2=O)cc1 729670132 JFGSERHJDKYULO-UHFFFAOYSA-N 445.504 1.194 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 731070096 GOEXXFSXMRYMJP-QIAWRQBBSA-N 442.497 1.531 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 733124785 BJQZTUJXVJBGEB-LTGZKZEYSA-N 433.512 1.299 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)CC1 734277432 CDROUSQAAHEKBN-GOSISDBHSA-N 429.521 1.506 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 735069177 RBSLKYJSODINGC-UHFFFAOYSA-N 449.536 1.333 30 10 IDEE CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 740743835 ABKCKZKTXXQAJM-NXVVXOECSA-N 446.407 1.932 30 10 IDEE COC(=O)c1ccc(N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)[C@@H](C)C2)cc1 746192720 FXIOYSNMOOTQHV-IWKHNONTSA-N 426.473 1.427 30 10 IDEE COC(=O)[C@H](CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)OCc1ccccc1 747884243 QQCXRDKOULXCIE-MOPGFXCFSA-N 428.489 1.433 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1ccc(C)c(C)c1 749561855 QLACCOFAIPICLN-UKAVVXHISA-N 427.501 1.975 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCCN1C(=O)c2ccccc2C1=O 753881552 LMIREVMANNMKPO-UHFFFAOYSA-N 425.466 1.971 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755047784 JIWMXBNDHDLQMK-UHFFFAOYSA-N 436.562 1.881 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1 765543493 LWWFRGUNCOESPI-GOSISDBHSA-N 444.561 1.628 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CC1 767863252 GQNIFYZZLXNFNX-UHFFFAOYSA-N 435.572 1.301 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767880371 HVEPKHDFICVWIF-UHFFFAOYSA-N 436.562 1.976 30 10 IDEE C#CCN(C(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 774240519 KEDRNXZKGUARHF-NJYVYQBISA-N 433.574 1.498 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)ccc1F 781845520 NFLILFYKAUBHHO-JXFKEZNVSA-N 442.509 1.767 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 786364716 GOLOTZHWYCVCQM-WJDSVYFBSA-N 445.516 1.401 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(Br)cc3)n(C)c2=O)c1 788521684 BWOGLDRQIWVFAP-UHFFFAOYSA-N 428.311 1.934 30 10 IDEE C#CCN(c1nnc(COCc2ccccc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812287692 ZPCDBOZRNLTSPM-WOJBJXKFSA-N 444.557 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3cscc3C#N)C2)CC1 815733200 JXQGITISVAUHIV-UHFFFAOYSA-N 440.547 1.327 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c(=O)n1C[C@H]1CCCO1 837882628 WWYZYWCPSSVOIK-WOJBJXKFSA-N 437.521 1.673 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 916775479 CIBQRVCXLYIACZ-UHFFFAOYSA-N 441.509 1.822 30 10 IDEE O=[N+]([O-])c1cc(C=NNc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)ccc1O 1084655534 FHLXHZBUIAUEPQ-UHFFFAOYSA-N 436.432 1.934 30 10 IDEE CO[C@H]1CCn2cc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)nc2C1 1125188994 MIKKSUMJSKCXBS-CVIUTVQRSA-N 431.518 1.909 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3nc4c(s3)COCC4)C2=O)cc1 1134196481 MASDUDJIFCJDEL-OAHLLOKOSA-N 425.470 1.609 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 1160506417 GFDDQILMDDAKHE-LICLKQGHSA-N 435.465 1.536 30 10 IDEE C#CC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC 1161365115 OWIFDRJVRDDUQF-VQTJNVASSA-N 444.484 1.622 30 10 IDEE COc1cc(I)c(Cl)cc1CNc1[nH]c(=O)n(C)c(=O)c1C#N 1163179447 ODXNOBCNEFTMNW-UHFFFAOYSA-N 446.632 1.824 30 10 IDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1230419440 FEHKZNIOPGQNTI-DOWLUUCCSA-N 439.578 1.959 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1 1254354043 CHSNZBAQNOQBJX-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cnc(C(F)(F)F)nc3)C2=O)cc1 1278987599 ICJQODDIJBHNML-AWEZNQCLSA-N 432.362 1.888 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](F)COC)c1 1286309548 RYLDGQXESWFGOP-KRWDZBQOSA-N 442.495 1.555 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC 1286411055 YDYUQTMEABFUTO-OAHLLOKOSA-N 432.933 1.963 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286457800 WOMBEEKVUYXVID-SIKLNZKXSA-N 446.573 1.456 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCCCCC2=O)CC1 1286495217 SUFGWSMFYNHUKR-UHFFFAOYSA-N 444.580 1.573 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2COCCO2)C1 1286802509 UUIQYMILUXKDEG-QZTJIDSGSA-N 448.545 1.545 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286950091 BOTAHYKDAJAVIH-IBGZPJMESA-N 444.561 1.746 30 10 IDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1292208240 BBTQXURDWBBCPF-ARFHVFGLSA-N 439.524 1.031 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCO[C@H]2C)c1 1300334106 HVOSESPOQTWQDG-PRCFCKQXSA-N 439.516 1.378 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1300501630 MLGMOZUVIMJKEP-MSOLQXFVSA-N 431.587 1.644 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1300532117 OASZRQLPHGYFFV-UHFFFAOYSA-N 436.497 1.570 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC 1300561779 UDKMENBNIYDKGP-UHFFFAOYSA-N 425.489 1.570 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)C(=O)NCC)CC1 1300731161 DANDQRHIZZWEQB-QGZVFWFLSA-N 430.553 1.258 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1300813509 LFKYXSCVZBZEPU-WMZHIEFXSA-N 439.564 1.627 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301054793 WTRAHZIITRGVLP-IBGZPJMESA-N 443.527 1.448 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1301951620 BXMPIPYIWQAXDJ-GJZGRUSLSA-N 427.475 1.994 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1303760147 BIDKXAGVMDCTJG-CABCVRRESA-N 435.529 1.306 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)C1 1309842686 AEHBIPVOWJQZNZ-GFCCVEGCSA-N 437.490 1.035 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315815717 KWYIDTBLHYUASW-WBVHZDCISA-N 437.483 1.701 30 10 IDEE COC[C@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315822699 RRHBAXFRCSVPNO-LJQANCHMSA-N 436.495 1.842 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1316252396 KRPDPIZZQCETGO-SFHVURJKSA-N 436.520 1.975 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1316500904 PRUXDFPZHNKXTC-IHCANNCPSA-N 430.509 1.312 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358968060 YNWKCHQNGBUQAV-GOSISDBHSA-N 437.610 1.563 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1358968600 RQMBVVLTRFCFJT-UHFFFAOYSA-N 448.575 1.074 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1358991914 UAVZXADOVVWHRM-QGZVFWFLSA-N 432.484 1.070 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(=O)N(CCOC)C1 1359001980 JDJYBDNPYRXMLM-CQSZACIVSA-N 449.353 1.990 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCn1cccn1 1360237451 GCHLTUBHVQBLBG-UHFFFAOYSA-N 448.535 1.296 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCn2ccnc21 1360671986 KFEOWPXVPAVDTI-GOEBONIOSA-N 432.554 1.402 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccn2CCN2CCOCC2)CC1 1440679522 BXAAPKATZCBWRK-QFIPXVFZSA-N 425.508 1.982 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(OCC(=O)N(C)C)c2)s1 1441675882 VNSWHLMOEAGAOP-UHFFFAOYSA-N 437.543 1.861 30 10 IDEE N#Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1Br 1445484667 DEOPVCQXFGTMGB-MRXNPFEDSA-N 443.301 1.653 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OCC 1454708120 CMCAYVJJIYPTNI-KBPBESRZSA-N 430.288 1.504 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(=O)n(-c2ccccc2)n1C 1456040137 HXRNPXVHIVGLHX-OAHLLOKOSA-N 439.497 1.031 30 10 IDEE N#Cc1ccc(OCC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Br 1458285874 DFTLYGJGRZHAMY-DYVFJYSZSA-N 443.319 1.552 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)CC2=O)cn1 1462324529 DZAKZDVPNXZIKI-SFHVURJKSA-N 433.472 1.638 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)C(F)(F)C(F)(F)F 1471524635 DMVFNUINDDPUAD-NSHDSACASA-N 429.367 1.180 30 10 IDEE CS(C)(=O)=NC(=O)CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1479081185 AFBMXXACIGMAJJ-UHFFFAOYSA-N 429.506 1.034 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCOC1 1503431925 MUBLXBQDMQJZGK-INIZCTEOSA-N 431.518 1.531 30 10 IDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1503591703 YYGXBWURXSDVMZ-GOSISDBHSA-N 446.577 1.697 30 10 IDEE Cn1cc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1503657143 DEIFDLQKKZMRIQ-FQEVSTJZSA-N 432.488 1.824 30 10 IDEE COC1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1504464793 AULJKDTYZPGHMB-YHRBYZFPSA-N 442.561 1.926 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1505129329 DFRSFHHBZAZEFS-SFHVURJKSA-N 441.517 1.294 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507572322 GOOPQUWMRUVQCX-UHFFFAOYSA-N 438.536 1.923 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1507617361 UPZUQMKHTBZQTR-RHSMWYFYSA-N 437.516 1.831 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507633351 CWOHIOSZOYIZFW-KRWDZBQOSA-N 426.502 1.235 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1507653084 LKHGHJHBGGHXDI-IERDGZPVSA-N 446.960 1.814 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NCCC)CC1 1507730499 RAUKKZZATYYLNG-FQEVSTJZSA-N 438.532 1.462 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1507953181 DJRLKRFFOVMEJO-NXHRZFHOSA-N 439.582 1.581 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOCC2(CCC2)C1 1508142361 CCACQNALIWFRMT-UHFFFAOYSA-N 448.593 1.747 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1508162124 PFOPKOFVMOHWCN-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)COCCO1 1510343423 DOMHQRCODQWPLN-OAQYLSRUSA-N 445.545 1.636 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1512617283 MLMGMXVJJYEYLB-QQMHEVNUSA-N 441.536 1.567 30 10 IDEE COC[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518710067 CNACMQKPFGAVBE-DOXZYTNZSA-N 442.520 1.820 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C[C@H]1C 1519205866 GTEUOHSIOCSOQU-INZIPBBXSA-N 442.589 1.885 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC(C)C 1539012861 MLVNLBPGAAWJIL-AWEZNQCLSA-N 425.505 1.933 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnnn1CC1CC1 1539232742 NQMQYZOZOASKRG-UHFFFAOYSA-N 443.515 1.665 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1539413021 GVZNTESPIVWCMX-QGZVFWFLSA-N 448.568 1.567 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C(=O)NC 1539617569 XIJAAFHMGDTQQP-JZXOWHBKSA-N 441.536 1.725 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1540152563 XLJBFTYKDLEQLU-HTXNQAPBSA-N 425.493 1.219 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccco2)C1 1540897224 DLYBOHZTVNKEDO-INIZCTEOSA-N 437.522 1.188 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540900757 GUKMEYNBAVYHSZ-UHFFFAOYSA-N 432.550 1.323 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1541391529 DWOWVWGXLHKBNC-QGZVFWFLSA-N 432.550 1.760 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1547764337 FKGSUTGJCNGTSS-QHCPKHFHSA-N 437.548 1.644 30 10 IDEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1554759074 OEDIXNJDVISCGX-QZTJIDSGSA-N 443.504 1.329 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1558414805 NEXWCWPTGOXTQL-CKEIUWERSA-N 436.534 1.597 30 10 IDEE C#CC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)C1 1558691748 QHKNHKXRKRWRPO-UHFFFAOYSA-N 428.466 1.469 30 10 IDEE CN(C)C(=O)c1ccc(OC2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)nc1 1559988656 PKWJMZLJCZGVHT-UHFFFAOYSA-N 446.507 1.926 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCOc3ccccc3[C@@H]2CO)CC1 1560171013 OITGRXNDKQPZCE-OALUTQOASA-N 426.542 1.885 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1562072780 RALMUHXTVRLZGH-INIZCTEOSA-N 427.523 1.555 30 10 IDEE Cc1cc(C#N)cc(N(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C2CC2)n1 1587011068 FUDHJYXPOAMWEG-UHFFFAOYSA-N 429.458 1.986 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1588046143 YEZVFGAGEDKFOU-OAHLLOKOSA-N 443.508 1.371 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1588162651 WRDRJOJPUUUKRP-JOCHJYFZSA-N 442.541 1.096 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(O)cc2)CC1 1588947304 MZVXNOTVMYJAJC-UHFFFAOYSA-N 430.512 1.984 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1594992968 WMXXZQDXYJRVGT-YKSBVNFPSA-N 440.592 1.805 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)C1 1595674164 NJOLTCKTOBMWSX-BRWVUGGUSA-N 449.581 1.129 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCC3)C2)nnc1[C@]1(OCC)CCOC1 1595831066 KAUQQSSVAXFFER-FQEVSTJZSA-N 440.566 1.290 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1596806290 FNLJOVNQXTYDAZ-HUUCEWRRSA-N 446.533 1.551 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1OCC(F)F 1608399852 GYLHXCSZVCIUGY-IBGZPJMESA-N 437.426 1.945 30 10 IDEE CC(C)OCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1611003010 DOESHKSXZLZKGQ-IBGZPJMESA-N 429.569 1.896 30 10 IDEE Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612589808 NHFCZZZWVOKVAB-MRCUWXFGSA-N 449.515 1.465 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C 1615872152 KMSPVBHGKQPPDU-JRGCBEDISA-N 440.548 1.799 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1618347728 QCXKXPPQBXDWJC-OAQYLSRUSA-N 442.545 1.308 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619602842 LMUVAYKNIFBAHB-AEFFLSMTSA-N 428.493 1.716 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CCc1nnc2n1CCCCC2 1619912629 HYLFBTBPGLLQIB-QGZVFWFLSA-N 428.541 1.709 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@]2(COC)C(=O)OC)ccc1F 1623359075 AFTPIUKNJLWTRM-IBGZPJMESA-N 428.482 1.474 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)s1 1629139015 DATWEWXSHBSSMB-UHFFFAOYSA-N 447.582 1.801 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCC#Cc3ccccc3)CS(=O)(=O)[C@H]2C1 1629163508 BWNNNRTUNUNPAV-OTWHNJEPSA-N 432.542 1.825 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1634099717 JIGMNBOTINBTEE-JOCHJYFZSA-N 440.456 1.206 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(Cc3ccc(F)cc3)CCOCC2)cc1 1636359886 DDLPKDLUJHGRPM-UHFFFAOYSA-N 431.489 1.884 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 1638239806 TUUOFHHWHQEPND-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE CCOC(Cn1cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)nn1)OCC 1639555705 DWCNKXPFUDRHLZ-UHFFFAOYSA-N 426.521 1.943 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 1639981248 PPCANXNSYHCZFO-GFCCVEGCSA-N 439.419 1.898 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1645745998 OUZBIVIMJOFENB-XLIONFOSSA-N 434.562 1.900 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c(=O)n1CCO 1653037008 KJNIWNJRBXHETG-UHFFFAOYSA-N 444.797 1.431 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1653659135 LGGHAFYHJQJIIC-SJORKVTESA-N 443.953 1.623 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C 1661545063 PQAPGZPYQKSUPA-ZBFHGGJFSA-N 426.560 1.911 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CCOCC1 1664579742 GNHXXXFGCXLGEF-OAHLLOKOSA-N 440.465 1.234 30 10 IDEE Cc1c(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)sc2ccc(C#N)cc12 1666169672 CJBDEXCQWIGZHK-HNNXBMFYSA-N 439.584 1.575 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1680699945 JSQHEBFXSQESQJ-IKGGRYGDSA-N 445.582 1.691 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690022385 CJYLEAODSWQNSB-LJQANCHMSA-N 446.477 1.990 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1690113779 USNKFFVCXFQJRO-HFMPRLQTSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](OC)[C@H](C)CC)CC1 1690122529 UQEIOCSKOXHDJY-VQIMIIECSA-N 428.537 1.822 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690150570 MQTATFKPLFDNIP-IBGZPJMESA-N 441.624 1.222 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1690190576 ZOEVVHOBJIRLSQ-HXUWFJFHSA-N 449.964 1.898 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC 1690206503 SONDFVDSFSZCST-OXQOHEQNSA-N 439.582 1.418 30 10 IDEE C=C(Br)Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690234820 OLMPRQPXUQPKFZ-RDTXWAMCSA-N 442.358 1.929 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690385892 NFIMACGCHQYHTC-JCXSCKIOSA-N 442.520 1.685 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1690464767 KFAYJESMQWRDCI-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1690526628 AJGYPDUCVIAIAH-GOSISDBHSA-N 435.550 1.621 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C2Cc3ccccc3C2)nnc1[C@]1(OCC)CCOC1 1690676808 FEAMZVIUJJOOTK-QHCPKHFHSA-N 425.533 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690717935 VNZSPVRACUOSJD-DLBZAZTESA-N 448.501 1.669 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1691003116 CHFRNBQWNULVLX-SJLPKXTDSA-N 426.525 1.463 30 10 IDEE Cc1ccc(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1693114343 OLCZXEIXVHVIEZ-BSBNDGSWSA-N 435.488 1.832 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)c1 1693229140 FISLUQWTIZOASV-KRWDZBQOSA-N 436.476 1.047 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1696996284 RZQWZYXDIBNQKI-KRWDZBQOSA-N 439.520 1.216 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCC2)c1 1705504039 LFFKPMWMXSXIHK-UHFFFAOYSA-N 449.559 1.666 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@](C)(O)CCOC)c1 1705507857 LMMSJLPDQGFWOA-AUSIDOKSSA-N 441.532 1.973 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1705612161 AWNGXLZHFOGBLX-QGZVFWFLSA-N 443.529 1.645 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1705622097 XQKQVGOSCZRVKI-UHFFFAOYSA-N 449.519 1.378 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCCC(C)C)CC1 1705639552 QVXRXKDRMPJJCU-LJQANCHMSA-N 437.610 1.388 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(OC)CCOC2)CC1 1705646641 LJPPHVPPCYEHSF-JOCHJYFZSA-N 427.505 1.618 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CSCCS2)CC1 1705648841 AKYOVIGGUHEZGT-KRWDZBQOSA-N 445.618 1.493 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)NC 1705860023 MLWVGQJQBSVSPL-UHFFFAOYSA-N 440.533 1.292 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705906608 KCJJGLRRVPCWTR-LJQANCHMSA-N 435.532 1.644 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(F)CCC1 1706887587 NQAVXTLXLQOLGO-GDBMZVCRSA-N 439.561 1.347 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCSC(F)(F)F)CCO1 1712884900 VLHSIOXASLOSMD-SNVBAGLBSA-N 430.412 1.988 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1722367716 WYHVDDJMZWCDSK-IRXDYDNUSA-N 430.578 1.928 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1722427891 SWUMLLOOPHCDDL-ROUUACIJSA-N 449.552 1.852 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1722431655 OZZAFXIMPFTLTP-KRWDZBQOSA-N 435.532 1.900 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2ccnc2C)CC1 1722434207 NASHOVDCBCYAQK-UHFFFAOYSA-N 435.532 1.923 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 1722438966 JAIAVQZCOIUNNC-QHCPKHFHSA-N 425.533 1.438 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC=C(Br)C1 1722692201 HYJGKTYGSPGHNB-UHFFFAOYSA-N 439.358 1.988 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722693916 FHSPSLSUOCZBLO-QGZVFWFLSA-N 426.521 1.891 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCCC2(C)C)CCOC1 1723689182 GQLOAWRPRJLHCB-MTNREXPMSA-N 433.553 1.989 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1730730665 GGZGJETUOZIJMO-GOSISDBHSA-N 432.550 1.018 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740592915 MKJOELYQLTVDCB-FQEVSTJZSA-N 435.576 1.810 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1740622176 AHBQXYFNAKYYLC-MJGOQNOKSA-N 433.578 1.431 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCC2CC2)CC1 1740699884 XHWKAVBUHOPVNB-UHFFFAOYSA-N 436.560 1.755 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCn1cc(CO)nn1 1740736014 KJIGQPOYPWGISI-DJPFJPOOSA-N 429.525 1.168 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1740919538 JTJVDPJOEWHRBB-CQSZACIVSA-N 448.528 1.397 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1740964141 JAKZXYUXHHQFCO-QGZVFWFLSA-N 440.483 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)CC(C)(C)C1 1740991879 HLLCKWLIHSSZOA-HOTGVXAUSA-N 444.623 1.653 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1743783604 OMGGFZNPMUPWFX-MLHJIOFPSA-N 436.582 1.725 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCN2CCCC2)cc1 1748799042 NOKDZQJHIMLUOU-UHFFFAOYSA-N 436.560 1.993 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1748808114 ICGVPPYEXTYFEV-QGZVFWFLSA-N 445.545 1.059 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1748825762 FBDRYDGSAXDTKX-OAHLLOKOSA-N 442.520 1.824 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)c2ccsc2)CC1 1748978903 SPPGZJUVCRPVMU-UTKZUKDTSA-N 433.578 1.727 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)N(C)C)CC1 1748979880 QUKLZDXDVABDHI-UHFFFAOYSA-N 425.493 1.477 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(=O)NCCc2ccccc2)CC1 1749008584 DMLSTYGDMWRLNP-UHFFFAOYSA-N 434.544 1.480 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOCc2ccccc2)CC1 1749014451 KCSUAIMPAWHKET-OAQYLSRUSA-N 437.544 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccccn2)CC1 1749016744 MVKJTRYVCZVSHL-UHFFFAOYSA-N 429.528 1.867 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749460929 JTCPYHCKBCWRSJ-GJZGRUSLSA-N 447.517 1.976 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOc2ccccc2)CC1 1749663754 PKVYKGZQQNDDJO-UHFFFAOYSA-N 435.532 1.776 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1750061521 QSFLRHNWYUAPHS-XJKSGUPXSA-N 429.912 1.736 30 10 IDEE CC(C)C(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1750563594 KFKGIXJLFRAHRP-HNNXBMFYSA-N 445.549 1.161 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nccn1C(F)F 1751218756 GFNCHNBJRVSXGL-YVEFUNNKSA-N 442.496 1.658 30 10 IDEE Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1751908198 OZCBPUJUNKHWIX-CILBIJLJSA-N 426.452 1.350 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)CC(F)(F)F 1760222281 FDNJHFBNGMTEAE-IRXDYDNUSA-N 427.471 1.959 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1760242909 RSELSMUFYVLIAE-YGWPLHOASA-N 443.573 1.560 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760272783 VQWMYYHHROVXGO-SJORKVTESA-N 425.562 1.965 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760294814 HBMDEUTVTPDSEO-PSHVLCQKSA-N 449.621 1.672 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760321601 IJWIGZARISQBHF-TVFCKZIOSA-N 439.582 1.281 30 10 IDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760346760 FKRQXVIHDJBFBK-LJQANCHMSA-N 446.577 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760552693 YAKQDFQPFMDPEY-IRXDYDNUSA-N 448.501 1.669 30 10 IDEE C[C@@H]1C[C@@H](C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1762719112 LJAXBZXDBPTMNB-IIDMSEBBSA-N 448.549 1.606 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1769547754 AYZYMYFPFRGBHX-QHCPKHFHSA-N 440.548 1.957 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCSC1 1770043912 JYDZBPUWKANWOO-OXFYSEKESA-N 436.582 1.047 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1771112061 FFPOXGIRPAGING-SJORKVTESA-N 440.570 1.310 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)ON1C(=O)c2ccccc2C1=O 1772787508 KOHZXSOFFAKUDV-LBPRGKRZSA-N 438.458 1.165 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772791729 XWGHSRNTBWNWAA-MRXNPFEDSA-N 441.465 1.894 30 10 IDEE CN1CCC(N2C[C@H](C(=O)N3CCCc4nc(C#N)cc(Br)c43)CC2=O)CC1 1849433444 AYACWBDLVKXTLG-CYBMUJFWSA-N 446.349 1.938 30 10 IDEE Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N(C)C3CN(c4nccnc4C#N)C3)n2)cc1 1849829179 RFPGDBMUYCDMHQ-MRXNPFEDSA-N 429.484 1.789 30 10 IDEE N#Cc1ccc(C2CC2)nc1C(=O)O[C@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1852787024 RHYVZCPXSSTJEQ-AZUAARDMSA-N 430.464 1.999 30 10 IDEE C=CCN(C(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)[C@@H]1CCN(C)C1=O 1852959438 DWIGECNFQIRECG-GOSISDBHSA-N 428.514 1.522 30 10 IDEE COc1ccc(Br)c(S(=O)(=O)NC(=NOCC2OCCO2)C2CC2)c1 1853470095 ZYUDRIPMMIWWEH-UHFFFAOYSA-N 435.296 1.849 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C(=O)C2)c(F)c1 1854259792 KAXFJSJGXHYVHG-UHFFFAOYSA-N 428.855 1.448 30 10 IDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1C 1854418374 FDJKLKVUQGTSOT-KRWDZBQOSA-N 433.530 1.908 30 10 IDEE CC[C@H](C)CC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855844785 HBUCAUZGFNNRLP-FUHWJXTLSA-N 432.546 1.428 30 10 IDEE C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857043783 XPQRADWUEJACPE-GOEBONIOSA-N 437.493 1.533 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@H]1C 1857064098 PRYBCTZDMZOVSX-OAHLLOKOSA-N 427.482 1.937 30 10 IDEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)[C@H]3CCCO3)cc2)c1 1858663384 FWIDUVCQTMCHTQ-GOSISDBHSA-N 428.470 1.864 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](C(=O)O)C(C)C)c(C(=O)OCC)c1C 1860761571 ZAEBSDCPMLEESU-GFCCVEGCSA-N 440.474 1.740 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(O)c2)cc1F 1862640948 NGCVUPMALHSOAP-IBGZPJMESA-N 444.415 1.960 30 10 IDEE C=CC1(NC(=O)[C@H]2C[C@@](O)(CNC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993322148 IMYOICILENYGNA-HNSKJHPRSA-N 425.526 1.944 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CCC(=NO)CC1 2108230291 XVYBTIRFKJRLKL-YFKXAPIDSA-N 425.482 1.951 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243389611 KOOCPDJJHJPDOC-NSHDSACASA-N 427.332 1.058 30 10 IDEE C=C(CS(=O)(=O)NC[C@@H]1COCCN1Cc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247904655 OXDAQJKYJCRWQP-LJQANCHMSA-N 436.383 1.994 30 10 IDEE CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255649301 JBUXPTMBXCMTKO-OKILXGFUSA-N 434.346 1.988 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255654973 GLEQXTPWFSSWQF-OAQYLSRUSA-N 436.314 1.681 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2255816074 YQPXSOWBNWUWLH-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255821525 DDPIDTQZCBVFLR-UONOGXRCSA-N 432.330 1.553 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255825047 STPKXGRIRKRZLC-KBPBESRZSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864532 WYJLWCMBVVUSPP-LSDHHAIUSA-N 435.330 1.414 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)nn1 2259056196 BYRPEEWCKDPNQC-HUUCEWRRSA-N 435.334 1.901 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)n1 2267155865 ZWKLNHIODJMZBG-GOSISDBHSA-N 444.263 1.485 30 10 IDEE C[C@@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267269950 IIWYHCBWBIBZTR-OCCSQVGLSA-N 441.259 1.910 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267519171 GLKPVLGLVJCRNY-IIAWOOMASA-N 446.357 1.705 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2267596585 KOBFZDSXNOBPEG-UONOGXRCSA-N 447.345 1.338 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2269717598 KOXKVOUNEBDSTJ-HZPDHXFCSA-N 447.341 1.399 30 10 IDEE COC[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2305258700 TXZCDEFSSIGNGO-AVRDEDQJSA-N 432.521 1.691 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320554775 ITUCPEVYDXLETN-GXTWGEPZSA-N 438.309 1.738 30 10 IDEE COCCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)cc(OC)c1O 2331260230 QNMOLJKHCVAOMP-UHFFFAOYSA-N 444.311 1.403 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)c1 20528342 IHVYIMPQEBOWLO-UFFVCSGVSA-N 440.489 1.833 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 57830685 HYNKTBVXIUFFKQ-KRWDZBQOSA-N 429.521 1.891 30 10 IDEE Cc1ccc(S(=O)(=O)/N=C(/CN2CCOCC2)NN2C(=O)c3ccccc3C2=O)cc1 59074409 ROINOBYQDOOZNL-UHFFFAOYSA-N 442.497 1.215 30 10 IDEE Cc1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90729341 SSFYLPGSKIANCO-UHFFFAOYSA-N 428.510 1.828 30 10 IDEE COc1ccc(CCN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254818036 BDHNMUGIIQKEOJ-CABCVRRESA-N 426.516 1.200 30 10 IDEE COc1ccc(CCN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254818037 BDHNMUGIIQKEOJ-GJZGRUSLSA-N 426.516 1.200 30 10 IDEE COC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 426011996 AIFAHNFRWKMLND-UHFFFAOYSA-N 430.486 1.437 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 438194652 YAOUTMRMZIQLSS-UHFFFAOYSA-N 437.566 1.215 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)cc1 447214178 VLLDJUZBXNBSLD-UHFFFAOYSA-N 434.456 1.447 30 10 IDEE C[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1c1nccn2cnnc12 462095125 XTVIFHYMLPGQLM-AWEZNQCLSA-N 429.448 1.319 30 10 IDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)[C@]3(C#N)CCOC3)cc2)C1 471945239 VXDITWHDYHXGFR-FCEWJHQRSA-N 441.575 1.656 30 10 IDEE COc1cccc(N2CC[C@H](CNC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)c1 472117129 FMZNQXMOQIPMJA-GOSISDBHSA-N 437.548 1.967 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c(F)c1 473445329 SPYPZWBMCWIBLL-HOTGVXAUSA-N 435.408 1.542 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(F)c1 501990931 RXBVZTNMSQNTCE-UHFFFAOYSA-N 439.465 1.602 30 10 IDEE CC(C)NC(=O)CN(CC(=O)NC1(C#N)CCCCC1)CC(=O)NC1(C#N)CCCCC1 507345062 FTSMZLNWMKJZHE-UHFFFAOYSA-N 444.580 1.498 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 508694429 BQIVUTRCYZWGSS-DEOSSOPVSA-N 435.576 1.545 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 531903492 WJCKOTUDDQMWMT-HNNXBMFYSA-N 428.455 1.682 30 10 IDEE CCCCn1c(=O)n(Cc2ccc(OC)c(C#N)c2)c(=O)c2c1nc(CO)n2CCC 533911566 MFVAZMSZRVFTTG-UHFFFAOYSA-N 425.489 1.991 30 10 IDEE COCC[C@H](Cc1ccco1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 542308367 YUYZGVWPXDKGKV-GOSISDBHSA-N 446.529 1.815 30 10 IDEE C=CCOC[C@@H]1NC(=O)N([C@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)C1=O 552737306 JYFQJFVOKCOJNN-BZSNNMDCSA-N 443.500 1.793 30 10 IDEE COc1ccc(CCCNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1OC 557052813 WGDXLTWMQMIEBF-UHFFFAOYSA-N 436.512 1.973 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 578215025 HWLGZNLZTCLLQQ-GHTZIAJQSA-N 435.532 1.724 30 10 IDEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 611285229 DOPZPWLDLHLQLS-IBGZPJMESA-N 433.940 1.869 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 618873107 NONKODJYSFJDDQ-HUUCEWRRSA-N 441.509 1.659 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726543721 HHLYCXWUDAHPEG-UHFFFAOYSA-N 433.472 1.509 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 730141255 IUGLHEGTRYZGGQ-RDJZCZTQSA-N 433.578 1.519 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3OC)c2=O)cn1 732561552 PIQUGOLXAGQLJO-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(c1nnc(-c3cccc(C#N)c3)n1C[C@@H]1CCOC1)C2 752843871 DEPOPVCWIPTZNN-WCAVRKLYSA-N 437.500 1.869 30 10 IDEE C=CCn1c(-c2cnccn2)nn(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1=S 764863368 CSCCRQUIENWWMA-MRXNPFEDSA-N 429.550 1.585 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cc(-c3ccccc3)n[nH]2)CC1 767782259 NLHAXXLSNFILOP-UHFFFAOYSA-N 425.518 1.854 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 769717126 WTENPKITGBIVIZ-UHFFFAOYSA-N 438.259 1.732 30 10 IDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cnc3c(C)cccn3c2=O)cc1OC 773772426 VUXYTUAAOJMDRU-INIZCTEOSA-N 434.452 1.702 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 777851603 QRZBKFAIUBVYRV-AWEZNQCLSA-N 442.545 1.453 30 10 IDEE C=CCOCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 780248042 SURLISVABOLQOE-UHFFFAOYSA-N 438.287 1.474 30 10 IDEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)c3cccc(F)c3C#N)c(=O)[nH]c21 781593663 IXVXGRBCZKNEAM-SREVYHEPSA-N 429.433 1.835 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCC2(O)CCOCC2)C1=O 795179200 XUVZKMVVFNFTRF-SFHVURJKSA-N 448.589 1.618 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CNC(=O)OCc2ccccc2)n1C 809869855 CCYGRZMMXRGRBA-MRXNPFEDSA-N 447.503 1.618 30 10 IDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812200485 FHSVGTCHEDFBSF-GOSISDBHSA-N 447.517 1.907 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)cc1 816691460 RORNXCOMZKUHAT-SFHVURJKSA-N 431.470 1.088 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@H]1CCCO1 818219215 DIJUHTVBBKGLIY-GOSISDBHSA-N 446.532 1.419 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCNS(C)(=O)=O 914541347 QGOPYPFZHOWUIF-INIZCTEOSA-N 438.575 1.535 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 1129588842 PBDZJYJNEFGOGC-UHFFFAOYSA-N 448.277 1.400 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1132080252 FMDMWTCREJWJIU-SJLPKXTDSA-N 426.542 1.609 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1139239295 LVFMZUZTXWEXID-MRXNPFEDSA-N 432.525 1.709 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 1151412163 ULCSQGLSQNCORX-KOSHJBKYSA-N 445.479 1.396 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@@H](O)[C@H](Cc4ccccc4)C3)C2=O)cc1 1159073221 DMEBCJZCIUYQJZ-HMXCVIKNSA-N 432.480 1.825 30 10 IDEE Cc1ccc(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1S(=O)(=O)NCC#N 1161868647 IXZUTIWPHSLAQD-NRFANRHFSA-N 426.498 1.066 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1198326222 BAWXEXUNQKWJEB-XHDPSFHLSA-N 445.282 1.100 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)O 1286423122 RJUQEHHZASLPSF-UHFFFAOYSA-N 428.562 1.780 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@@H]1C 1286466109 CQOYXKZEARFBGE-KRWDZBQOSA-N 433.503 1.954 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1286476690 DWZLYKHLJTXPPY-SFHVURJKSA-N 442.568 1.737 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1286516013 AXOOLUQUYWSODJ-SCLBCKFNSA-N 437.595 1.673 30 10 IDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286612503 VKSDRUPCQPPYGS-UHFFFAOYSA-N 425.537 1.959 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1286638666 INJNIFIGSQXFER-HXUWFJFHSA-N 441.598 1.803 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C)C1CC1 1286737790 OLXQPDMZASZMIB-SFHVURJKSA-N 432.550 1.518 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1286760028 WNALJOQARVXXRD-UHFFFAOYSA-N 435.532 1.944 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(N)=O)CC1 1286778957 BYNUJFJOSHNUQQ-UHFFFAOYSA-N 434.504 1.339 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286794180 YSCWZDAPTZCIIC-CQSZACIVSA-N 446.537 1.138 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1286959304 FHKWAQUZBCJJKD-IRXDYDNUSA-N 449.519 1.922 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1286965583 LRUNLXMREVGADB-AWEZNQCLSA-N 435.488 1.943 30 10 IDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCCO1 1289049877 BHSNTYCJZGRCJV-OAQYLSRUSA-N 444.561 1.904 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N1CCOCC1 1291525014 YQCPPIKYWHNCSZ-CQSZACIVSA-N 425.493 1.185 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1293167591 GRFAZKOOHMRNDJ-AWEZNQCLSA-N 437.497 1.457 30 10 IDEE CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1296159630 NMKWBZLVSQHGOL-JROKQLJMSA-N 443.552 1.229 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1300479937 VTIFOSXNAIUEJQ-FGTMMUONSA-N 435.594 1.869 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1300537957 MBXNIFDQGJMELZ-SFHVURJKSA-N 449.483 1.010 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300584577 WUXNYEMWRZDPPL-NRFANRHFSA-N 446.960 1.535 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1300590467 CDEHROVSDXNRKK-SFHVURJKSA-N 440.573 1.453 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NS(C)(=O)=O)CC1 1300897223 PLAWPNGBCKDLRZ-CRAIPNDOSA-N 427.571 1.314 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1301579871 ZRUPBFRMTVQQOL-OAHLLOKOSA-N 426.502 1.756 30 10 IDEE CC(C)NC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1303443526 AELLNNZIBNGZFI-FQEVSTJZSA-N 447.902 1.828 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCCCc2ccccc21 1304283575 ZCQHFCZLTPITLP-MRXNPFEDSA-N 440.525 1.711 30 10 IDEE C[C@H](CC(=O)N1CCc2c(sc(N)c2C#N)C1)/N=C1/NS(=O)(=O)c2ccccc21 1304491421 YYIRIPKHXPWSAP-LLVKDONJSA-N 429.527 1.604 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H](CC(C)C)C(N)=O)nnc12 1306888046 WBOMLTPURCPMTC-INIZCTEOSA-N 442.545 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)C1 1312624914 FYKNRKLGGIYENG-GOSISDBHSA-N 439.516 1.921 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1314225425 LJBDJTHWGLJNNE-RCCFBDPRSA-N 443.504 1.524 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1358936889 AKWKQJBWYPLMEJ-ACRUOGEOSA-N 430.597 1.632 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358961755 DUFKYPBMVHRWHE-GPQLOAJWSA-N 449.577 1.061 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358963582 KNNKSGSPLUXMOH-HSALFYBXSA-N 449.621 1.529 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCC(=O)NC)nnc1[C@@]1(OC(C)C)CCOC1 1359105270 MCTKYOSJPZKWAU-LQBOVUBWSA-N 435.569 1.872 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359203324 NEJXLQRWSFQHQH-HOTGVXAUSA-N 436.538 1.806 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359219571 VPMRFJGMKYUKHQ-MRXNPFEDSA-N 428.541 1.941 30 10 IDEE C#CCN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)[C@H]1CCS(=O)(=O)C1 1435069876 TVEWSKXZHFMYAG-DZGCQCFKSA-N 426.288 1.180 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCc3c(CC#N)cccc3C2)cc1 1461961694 FUCRBMXXRXCLSO-UHFFFAOYSA-N 425.510 1.813 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1468036920 ACZPYKPXMJJDKW-LJQANCHMSA-N 443.548 1.791 30 10 IDEE COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1=O 1468671638 YVMFDUPCDYBRPL-IBGZPJMESA-N 437.500 1.654 30 10 IDEE CN(C)CC#CCNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1471035933 PBZHCFUJOPPOGZ-FUHWJXTLSA-N 441.391 1.724 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2cnc(C(F)(F)F)c2C1 1471596993 ATRYDWLCBZOLRB-UHFFFAOYSA-N 427.408 1.373 30 10 IDEE CCn1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(=O)c2cc(Cl)ccc21 1472600658 FBNZVHXUIQZLHJ-UHFFFAOYSA-N 425.832 1.506 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1501199166 HUUOBXLCOSMAAB-HNNXBMFYSA-N 434.508 1.176 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1503274230 PSNJGZPBWUKENM-UHFFFAOYSA-N 444.561 1.763 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1503367463 NPOMHBWQROEITR-QFIPXVFZSA-N 437.504 1.066 30 10 IDEE CN(C)CCOCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503402756 GWROLCVYGCZYNO-UHFFFAOYSA-N 434.504 1.453 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507637596 LFBZADAEHYWXBT-GOSISDBHSA-N 432.546 1.693 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCCOC)CC1 1507724771 JKDCJOMDVWAIJK-UHFFFAOYSA-N 435.532 1.507 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CC(F)(F)C2)CC1 1507734443 WYLGWSPXLLBINS-UHFFFAOYSA-N 434.491 1.525 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1507738489 PUXMUMDLHHWCJC-QUCCMNQESA-N 439.564 1.706 30 10 IDEE C=CCC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)C1 1507913413 RGEXOZYFJHLTHV-UHFFFAOYSA-N 431.566 1.777 30 10 IDEE CC(C)(C)C(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508460524 CQFDTMFGJFOZNC-UHFFFAOYSA-N 436.564 1.986 30 10 IDEE CC(C)Cc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509239801 ZADVMIHKHAHVRV-OGLOHFSISA-N 443.508 1.034 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1518519974 WVLAXDITDDCPFA-SFTDATJTSA-N 428.468 1.786 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1519163952 GHLSIHBJRBAABJ-LJQANCHMSA-N 438.532 1.873 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1519450885 RBTNHLXCEHUTPF-DZIWXPPMSA-N 433.534 1.700 30 10 IDEE C=CCCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)nn1 1523670007 HQCCORGEZRALEL-INIZCTEOSA-N 434.541 1.880 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1 1527476807 UXSWQWLPXOEPFN-KRWDZBQOSA-N 428.489 1.143 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C2 1535802510 ZIOOGZSMKPIPHV-DLQFXZFOSA-N 428.492 1.945 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1539013269 IIPDWOKNYXWJEQ-RYUDHWBXSA-N 426.436 1.555 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539222310 VLPNYAJAGGGYQG-UXHICEINSA-N 444.557 1.626 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)cc1 1539267429 ZVCVYNOFUQWGRR-IBGZPJMESA-N 426.542 1.894 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCOC2)n1 1539424579 SYGPYSYNGHISAT-IEBWSBKVSA-N 441.536 1.139 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncccc2N(C)C)CC1 1539429833 CTMUIWJDIJMXSK-QHCPKHFHSA-N 439.564 1.195 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539735202 HIMBPUKVFOMZCJ-UHFFFAOYSA-N 437.548 1.620 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1539774910 GRNMKUNYFISTRW-ZDUSSCGKSA-N 446.002 1.732 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCN(C(C)C)CC2)CC1 1539828285 HGFLBARXBBDJNG-KRWDZBQOSA-N 440.614 1.280 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1540054732 VMTQHJDDGDDUOL-MRXNPFEDSA-N 447.561 1.466 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC)C(=O)C1 1540864635 GTWUFWQWOVJBMV-UHFFFAOYSA-N 427.465 1.214 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540871056 CCMOHBFHOHJXCJ-HZPDHXFCSA-N 434.541 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCSC1 1540897454 JOKOVQLECZZTDS-AWEZNQCLSA-N 436.563 1.468 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)C)CC1 1540904203 JWJZDHNZXMCCLN-UHFFFAOYSA-N 446.577 1.169 30 10 IDEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1542053407 DAHXKAKUXDXAEU-UHFFFAOYSA-N 442.549 1.467 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1543315249 UGCXHWHYYZAPEQ-KRWDZBQOSA-N 449.529 1.147 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1555328051 CWWGMQIPTKPGMW-CQSZACIVSA-N 444.517 1.869 30 10 IDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1560072517 NOSQWMLCVREBTF-HUUCEWRRSA-N 436.603 1.630 30 10 IDEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)c1ccccc1 1570677782 NREHLCYGKHSWLC-RBUKOAKNSA-N 434.539 1.259 30 10 IDEE C[C@H](CC(=O)NCc1cnc(C(F)(F)F)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1584387184 JFNGDCVJSRULIN-SNVBAGLBSA-N 427.408 1.629 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)s1 1586164224 JWAULTBYHRYRRR-UHFFFAOYSA-N 445.526 1.678 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1588090621 ZOHOTCODORSMBJ-MZKRTTBSSA-N 429.565 1.502 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCCC2)CC1 1588890531 BIMKVOQRDOPXDF-QHCPKHFHSA-N 445.564 1.201 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1589530525 WGZIXPDJVBPOSV-YLJYHZDGSA-N 427.553 1.964 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1589663422 NHTFIMITRJLCBY-GOSISDBHSA-N 438.642 1.609 30 10 IDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1595398973 MPOXPTDMHUJFLQ-ZCNNSNEGSA-N 430.597 1.985 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1595831849 XWMYNRAOZCGSNX-FCEWJHQRSA-N 426.539 1.115 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597161862 SOQFMTPCOYORRC-ZNDAWEQMSA-N 444.536 1.486 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1606664028 NQEZXHUGMJYONC-BVCVCMJASA-N 444.536 1.387 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC23CN(C(=O)OC(C)(C)C)C3)c1 1607732466 HUAIVJREOMCBED-UHFFFAOYSA-N 437.518 1.570 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(F)cc(F)c(F)c1F 1609507385 QXSUHBBYYDYDDZ-SNVBAGLBSA-N 426.374 1.750 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613281677 GUQXQYXNSWYFSF-SFXXBHMCSA-N 429.525 1.423 30 10 IDEE Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617486567 FZKRRNLPMPFCBY-BONVTDFDSA-N 428.264 1.676 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@H](C)O1 1619733352 DHBDUIUZYGAIDB-QFBILLFUSA-N 427.505 1.598 30 10 IDEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1621176557 DBBXGVVOQNBSJC-UHFFFAOYSA-N 431.493 1.459 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1624705972 BKIVTMAZUSLVLX-UHFFFAOYSA-N 425.493 1.939 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 1625472228 GOBKCOVMAOEQMZ-QZTJIDSGSA-N 435.546 1.201 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)c(Br)c(Cl)c2)CC1 1632961157 UEKLLGSEPJSBPT-UHFFFAOYSA-N 434.743 1.636 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)c1 1634368145 UHUNEFMNWLPOQR-UHFFFAOYSA-N 444.513 1.798 30 10 IDEE CC(C)(C)OC(=O)N1CCC12CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 1638304190 QTNYLFMQXCUAQS-UHFFFAOYSA-N 448.545 1.727 30 10 IDEE O=C(CN1C(=O)C(F)(F)Oc2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1641857595 BHCNQHBVTPTHIJ-UHFFFAOYSA-N 445.378 1.909 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCc1nc(-c2ccccn2)cs1 1643880679 LIDRWCZKNSGTBG-UHFFFAOYSA-N 441.538 1.993 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)ccc1F 1652065614 CDYIRBZNELBLJM-IBGZPJMESA-N 425.482 1.641 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@H](O)CC3(C#N)CCC3)CC2)CC1 1655121880 YBXFFUNDYIYUBR-GOSISDBHSA-N 435.569 1.722 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(NS(N)(=O)=O)CC2)n(C2CCCCC2)c1C 1655284110 MQSOSVNMFDPKSK-UHFFFAOYSA-N 436.582 1.678 30 10 IDEE CCc1nc([C@@H]2C[C@@H](O)CN2CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n[nH]1 1656535786 IVKKJKSIHIVUAQ-QYZOEREBSA-N 441.511 1.023 30 10 IDEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc21 1660071924 JJSKENNPLAUSCT-YSGBTYPNSA-N 432.502 1.351 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCCN2C(=O)c3ccccc3C2=O)c1 1664598247 JNUFORPARTUUAV-UHFFFAOYSA-N 441.509 1.909 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)CC1 1685065802 MLZOOJWBVHAJRV-VQHPVUNQSA-N 425.551 1.606 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1689987938 FWSRIVKWNGRLDT-MRXNPFEDSA-N 443.533 1.212 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689988172 KNXDYXQAAFGMKA-ONIAQPFYSA-N 449.577 1.060 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1690019250 DRRNFNOMYHMION-QGZVFWFLSA-N 428.514 1.319 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1 1690087317 SGMTVKYBXUDMEN-QFIPXVFZSA-N 427.480 1.444 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690172641 KQEHBBRMQHBYJC-OALUTQOASA-N 446.621 1.281 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1690485283 ORBUCDIBUYCGIL-HNNXBMFYSA-N 440.595 1.713 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690676348 XHUMOMPNDLNUOO-GOSISDBHSA-N 439.495 1.475 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1690678110 LHQDFMBAQJZHBK-JLDZCNIISA-N 432.569 1.461 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690678382 UUESKGFKXVSVPL-JOCHJYFZSA-N 432.569 1.297 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1690731231 DMOUDJNWFOSQEV-ABSDTBQOSA-N 437.566 1.733 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)CC1 1692849624 INCFAPMNMWKLKR-UHFFFAOYSA-N 427.553 1.951 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1693247892 BLYOKXDWIJZGHI-IAGOWNOFSA-N 430.534 1.406 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1694328212 YBAMPKJXXSHQIS-NHCUHLMSSA-N 431.516 1.649 30 10 IDEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1694884578 DOXZLWKLUIULGG-INIZCTEOSA-N 429.546 1.993 30 10 IDEE CCCN(C)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1695292259 KBWCXHJSNCHQBR-JKSUJKDBSA-N 449.581 1.569 30 10 IDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1697096219 FQSHOIJOHISUFM-UHFFFAOYSA-N 442.520 1.449 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2cnnn2C)c1 1705506867 KYEJZOMMPMESMK-LJQANCHMSA-N 434.504 1.753 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1705559543 CHGKHYKSJAKJFI-KRWDZBQOSA-N 449.621 1.851 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1705583373 WVDKUBYOMIFXCQ-SFHVURJKSA-N 439.520 1.441 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC[C@H](CO)O1 1705624570 GUXIOONSNOROHZ-ZWKOTPCHSA-N 428.489 1.342 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2ccn(C)n2)n1 1705631422 DKTLRHBEAYOBMJ-UHFFFAOYSA-N 431.504 1.605 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1705710979 WALWKUSCWPTFIE-MRXNPFEDSA-N 428.603 1.402 30 10 IDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)N2CCSCC2)CC1 1705767315 IMTUJRMDTZHWGC-UHFFFAOYSA-N 437.595 1.214 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccn2)CC1 1705936270 MXRJHZTWBOLHFG-SFHVURJKSA-N 446.577 1.495 30 10 IDEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cnn1CC(C)C 1707028557 KOQNJKSHVLWVMW-OXJNMPFZSA-N 449.556 1.831 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1710989084 WFXLDKNLEHRZGE-GOSISDBHSA-N 427.484 1.555 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C[C@H]1O 1711460560 KHGLBHVIKCNQMX-IEBWSBKVSA-N 435.488 1.153 30 10 IDEE COCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712121871 CGOZGGJGKTUMQX-QGZVFWFLSA-N 438.536 1.495 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@H]2CCOC2)CCO1 1712886054 HBQUZUOBYMOLPV-JKSUJKDBSA-N 446.533 1.194 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722324629 VNJPOVGKRFCNPI-QRWLVFNGSA-N 435.525 1.539 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1722350496 BIYOPKOELOVCAB-YLJYHZDGSA-N 439.582 1.012 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1722362577 UZMZGZMRLUWCBN-AWEZNQCLSA-N 429.506 1.088 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1noc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1722370932 SCHUJHMIXPZCAS-OAHLLOKOSA-N 433.534 1.356 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1722375748 GPQWWHWSSZRHOM-UHFFFAOYSA-N 445.321 1.357 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1722387324 DLROLRJZQKYJPJ-HYFFOGBASA-N 429.521 1.273 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)CC2CC2)CC1 1722439267 VONXMYSFBCFWLG-UHFFFAOYSA-N 441.601 1.757 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722463083 UFSJKDWTQVSWCN-UHFFFAOYSA-N 443.577 1.654 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722492316 AYCFTPZZYUWUHX-NXHRZFHOSA-N 445.568 1.438 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)CC1 1722702856 PPUOGXGMOYXGEZ-IEBWSBKVSA-N 434.585 1.267 30 10 IDEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722740295 NCMSKLQBEZGYQF-UHFFFAOYSA-N 432.594 1.736 30 10 IDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1728676582 FAZZACMNZYGCSD-UHFFFAOYSA-N 441.536 1.743 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1729152999 GSSBUADNOHEINE-UHFFFAOYSA-N 439.520 1.427 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1730918959 KCRBOVGNBYFKIV-WZONZLPQSA-N 438.532 1.784 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C[C@H]1OC 1730988995 KQPFPFCKHRQSGJ-KDURUIRLSA-N 426.521 1.829 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1740638508 NHTSTXVARBONJG-ZWKOTPCHSA-N 442.541 1.729 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1740655656 FFMAQKWFNZESSK-HXUWFJFHSA-N 441.557 1.431 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)CC1 1740691969 FHHPMDXCQNGJQQ-UHFFFAOYSA-N 431.544 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)N(C)C)CC1 1740701421 GXLQVMVLYLLSAE-UHFFFAOYSA-N 434.500 1.745 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2csc(COC)n2)CC1 1740705976 PLKUQZXKFWDZGQ-INIZCTEOSA-N 444.561 1.399 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740710093 REEMSYSDHAZWDF-CVEARBPZSA-N 439.545 1.539 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740736993 WEVAKKWRVSFIBC-UKRRQHHQSA-N 441.374 1.482 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740888167 QBTXBHREMJQDHI-ROUUACIJSA-N 439.582 1.125 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1740951428 FYPNMBXKRLOVRY-UHFFFAOYSA-N 425.581 1.962 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1OC 1748669708 HTSQCSGDLIXTKF-IIBYNOLFSA-N 429.477 1.497 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C)C2=O)n1 1748971168 FZSVJDRRGFNDKW-QHCPKHFHSA-N 441.580 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1749016959 QZPHTDHYZRIIDT-FPOVZHCZSA-N 436.560 1.781 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1749129874 HTANNFNXHBXCEV-QYZOEREBSA-N 436.578 1.944 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1749342710 MLVJKEADFSOMAZ-SJORKVTESA-N 442.607 1.407 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749452431 ZORFJDPDDPNBCV-JOCHJYFZSA-N 441.536 1.691 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1749611654 BEAJTEIIBVQAIR-HTAPYJJXSA-N 443.504 1.516 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749705070 FZOPMUDNZMYZJF-SLNYWTKHSA-N 449.515 1.956 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1750034377 POZHCXKKEFOPRT-LJQANCHMSA-N 436.520 1.383 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1750078033 YVCSRQYKHHFUSO-OAGGEKHMSA-N 431.518 1.616 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccn2C(F)F)CCOC1 1751025864 JMAZSWFWAQCCJX-LIRRHRJNSA-N 437.451 1.687 30 10 IDEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1752268231 BWVVPAJXYVPOKD-KSZLIROESA-N 425.537 1.957 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760183689 QODDZLCAICOSAC-IRXDYDNUSA-N 434.518 1.279 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760192386 IHOJOKMRLQQMLB-VLOYRQLPSA-N 436.578 1.962 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760193207 WQKLZGYDIGEGPJ-QZTJIDSGSA-N 449.577 1.205 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760218201 AJJLKSSRMHMZEP-PMACEKPBSA-N 426.565 1.188 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCn1cnnn1 1760240718 ZUOUSNSJPWDJAQ-UHFFFAOYSA-N 437.483 1.370 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1760241918 OISDUHLVQHLBRK-LJQANCHMSA-N 447.536 1.800 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccc(C)cc1 1760249537 NKOFFRABHDDXCH-HXUWFJFHSA-N 425.533 1.997 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 1760249709 QYFPJYDCLAIKOK-ZWKOTPCHSA-N 449.552 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCn2cncn2)CC1 1760267829 BXQFJWAWMXGTFJ-UHFFFAOYSA-N 438.923 1.856 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)CC1 1760270179 SYLFYWQOEIDKJY-IBGZPJMESA-N 447.605 1.726 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1760312775 DHZVGEXCJOHEEG-IRXDYDNUSA-N 434.541 1.676 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760367065 MUYINMJPNXRQCH-CQSZACIVSA-N 435.978 1.615 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 1760516429 NCHAUWZBGHNJQD-CQSZACIVSA-N 430.484 1.561 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1761238620 UAKKANZFONZRTO-FUHWJXTLSA-N 437.504 1.198 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1762698081 DVKBOOPHLSTICF-CYBMUJFWSA-N 439.501 1.449 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCOC1 1766993540 AAQQNLPEYJVGNK-PMACEKPBSA-N 440.548 1.801 30 10 IDEE CCOCc1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767946786 OYBZEMQLXCIRDP-VXPUYCOJSA-N 431.541 1.119 30 10 IDEE COCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1769588656 BIZWRBKAQIHZNL-SJORKVTESA-N 437.566 1.506 30 10 IDEE COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1770306605 HZKKMYQDJFLNKD-RBUKOAKNSA-N 441.536 1.457 30 10 IDEE NC(=NOCCC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(Br)cc1 1853440201 BAFLQMVIRLYVSD-UHFFFAOYSA-N 439.354 1.799 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cn(C)nn1 1854555126 PCYNUURIIQASIJ-HNNXBMFYSA-N 429.502 1.664 30 10 IDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)cc2F)C1=O 1863657235 PUSJZTDPFHPMGZ-UHFFFAOYSA-N 447.463 1.710 30 10 IDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870666629 VFJRGYDOLDBBAD-UHFFFAOYSA-N 427.461 1.129 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2CCCCC2)nc1C 1872636678 AXIJJPBDUCRCCC-UHFFFAOYSA-N 449.489 1.750 30 10 IDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1ccc(I)cc1 1872657257 WFSUHNCFQMUDJH-UHFFFAOYSA-N 442.213 1.536 30 10 IDEE C[C@H]1CN(C(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)O1 1872678988 UYUWGMIFTKNDFF-QWRGUYRKSA-N 431.474 1.758 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CC(Oc2cccnc2C#N)C1 1891958554 QSVWJECVJMKSDO-INIZCTEOSA-N 431.474 1.001 30 10 IDEE CC(C)OCCCN=C(NC[C@@H]1COCCO1)N1CCN([C@H](C)c2ccccn2)CC1 2087917863 HRQZQJQDCFCNFB-NHCUHLMSSA-N 433.597 1.936 30 10 IDEE CC1(C)OB(c2cnc(N3CC[C@H](S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2123306074 PGXNEXQPHSKRHP-LBPRGKRZSA-N 431.161 1.767 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2124531226 BZNBZGDTDVXYCZ-HNNXBMFYSA-N 447.345 1.948 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124540619 JVZIQYSMKMQPNS-HNNXBMFYSA-N 447.345 1.265 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128733175 VUHIHJQDFPYQDX-QZTJIDSGSA-N 446.353 1.972 30 10 IDEE C#CCn1ncc(NC[C@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2162293093 HOWLGZWDRHLNEU-QWHCGFSZSA-N 441.326 1.981 30 10 IDEE CC[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2243665028 PESXTCVIQUHXHM-LLVKDONJSA-N 426.348 1.891 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248411769 BXTJVHGBNIHTNV-SWLSCSKDSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)n[nH]1 2255626341 FLXLEYFMDVLCMO-UHFFFAOYSA-N 433.278 1.104 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]1C2 2255628289 GEOCEORNKAHBIP-KCQAQPDRSA-N 432.330 1.837 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2255653174 FPWYYTCVVWWYHF-KBPBESRZSA-N 434.346 1.847 30 10 IDEE C[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255808933 PYOQZBSSJFYGJE-WDEREUQCSA-N 447.288 1.971 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255811622 SEFKEFDTJSKGNC-QWRGUYRKSA-N 447.288 1.971 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1NC(=O)OC(C)(C)C 2255818796 QKDQACKPRBBVTG-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE Cc1c(C(=O)N(OCc2ccccc2)C2CNC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823487 WAPRJRPFHSHPGY-UHFFFAOYSA-N 426.326 1.574 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255841652 GBOHRXLHCBKXQX-LSDHHAIUSA-N 432.330 1.951 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256625234 UEYXJDMQTPIAIQ-AWEZNQCLSA-N 436.318 1.562 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267192774 WCBNKOCEGTZHEY-HNNXBMFYSA-N 446.357 1.933 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 2267268122 PWAUWRHYLICUAN-HSZRJFAPSA-N 439.369 1.756 30 10 IDEE COCCN(CCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267269959 IRSOZGAHQDVQFA-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267456727 KWSGGBDMJIBYGR-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492119 OEFYTUNIDXOLKG-CABCVRRESA-N 448.373 1.952 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@@H]2C1 2267570575 WFBOMBQMCYWJLT-IAGOWNOFSA-N 447.341 1.774 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267870811 IMDIKIMTBBIFNK-JLCFBVMHSA-N 444.341 1.763 30 10 IDEE CN1C[C@@H](C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2319724140 LRSYEQZPVHJAIQ-CABCVRRESA-N 437.346 1.759 30 10 IDEE Cn1c(=O)c2c(nc(NN=Cc3ccccc3)n2C[C@@H](O)COc2ccccc2)n(C)c1=O 2327749722 XJECPOXGOVEQQF-QGZVFWFLSA-N 448.483 1.320 30 10 IDEE Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(F)c1C#CCO 2381159980 VDLVPXIOAFVVJA-UHFFFAOYSA-N 430.457 1.906 30 10 IDEE COc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nnc[nH]3)[nH]2)cc(OC)c1OC 20909680 FCBQKSXADMQEPI-NGYBGAFCSA-N 433.454 1.125 30 10 IDEE O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 31248667 DTNZACAYXKCJQO-UHFFFAOYSA-N 439.537 1.421 30 10 IDEE Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295007 YFLAZXUZFCFFJK-MRXNPFEDSA-N 430.534 1.242 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@@H]1c1ccncc1 72461217 VXCPNXQNDYUGAR-CRAIPNDOSA-N 444.451 1.924 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 108935967 IZOVWPYJZGTDNC-LBPRGKRZSA-N 443.367 1.075 30 10 IDEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 111047712 HDYMRWORENQYMZ-GOSISDBHSA-N 425.510 2.000 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccc(I)cc2)CCO1 409500645 NNNXHMYHEHSFBR-HUUCEWRRSA-N 447.298 1.897 30 10 IDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)c3c(Cl)cnn3C)c(C#N)c2N)cc1 429856244 XGCZEXPHMVCXQU-UHFFFAOYSA-N 433.925 1.933 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 436244088 JLUNNEWODFWMSO-JQHSSLGASA-N 432.546 1.522 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476806251 LFOLLJQMBXZDPE-YOEHRIQHSA-N 430.530 1.915 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481589735 VOOWQXSDVTWHKQ-LJQANCHMSA-N 431.489 1.821 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489011187 FBYZACDEAIUGDH-UHFFFAOYSA-N 448.526 1.160 30 10 IDEE CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489726659 SIEJQIUKKRKWEJ-UHFFFAOYSA-N 443.529 1.605 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 492437877 YBQHXCSGQZVHOQ-AWEZNQCLSA-N 439.343 1.793 30 10 IDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508812515 WNYXMHIZJFLNOQ-UHFFFAOYSA-N 449.540 1.832 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 508864894 RBJBYDZYPOYBOX-LJQANCHMSA-N 427.505 1.831 30 10 IDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 522232272 LANDTRQGQCIGBB-WOJBJXKFSA-N 447.495 1.579 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 541193722 JXOOFQYFFROZQB-OALUTQOASA-N 449.515 1.278 30 10 IDEE CC(CN1CCN(c2cccc(C#N)n2)CC1)CN1CCN(c2cccc(C#N)n2)CC1 545502173 BSJMNYQUQXVZKS-UHFFFAOYSA-N 430.560 1.800 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CC2)n1 546919805 UHRKBZYALKZYOJ-UHFFFAOYSA-N 433.516 1.452 30 10 IDEE CCCNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546930583 RMZSTIZFORMDKV-UHFFFAOYSA-N 428.518 1.996 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 563328461 KXKNNAZHMJEHOS-UXHICEINSA-N 445.479 1.092 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccccc1C 590943668 WQDOKUVKNLSXAH-UHFFFAOYSA-N 440.550 1.238 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](O)CC(F)(F)C3)nnc12 682589848 QHHBEACOKOESRD-LBPRGKRZSA-N 435.456 1.551 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 728916119 USXJDPDKVZOQAC-LJQANCHMSA-N 441.532 1.675 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCCN1CCN(c2ccccc2Cl)CC1 746163568 CATUCVUTAPCJFQ-QURGRASLSA-N 445.951 1.885 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccn(C)c2)C1=O 748095534 NLJXFPBIOLJGKV-FOFUNRBPSA-N 442.589 1.531 30 10 IDEE C=CCn1c(CCN2CCCCC2)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 751934274 LHXMTXZLIVVBRC-UHFFFAOYSA-N 442.655 1.553 30 10 IDEE COC(=O)c1cccc(COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1C#N 756188359 WUAUEMHDBTUTQM-OAQYLSRUSA-N 447.447 1.864 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN(S(=O)(=O)C(F)(F)F)CC3)CC2)n1 760678599 STQOOHGGDJFOKU-UHFFFAOYSA-N 446.455 1.099 30 10 IDEE C#CCN(C(=O)N[C@H](CC)c1ccccc1OCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 774181364 UVLULLFNSORSKO-FUHWJXTLSA-N 435.546 1.437 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 786480214 UHHYORDGSGSFMF-UKRRQHHQSA-N 436.577 1.016 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)C(=O)NCCNc2ncccc2C#N)C1 787777073 GZKUBFVFZQFADT-HNNXBMFYSA-N 430.509 1.245 30 10 IDEE C#CCN1CCN(C(=O)CN[C@@](C)(CC(=O)OC)c2ccc(Br)cc2)CC1 796498320 SWXYWGLCOHCNKF-FQEVSTJZSA-N 436.350 1.594 30 10 IDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812307287 CVIDKLOIANRFGU-ZWKOTPCHSA-N 445.501 1.659 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1 858005232 FPALZOYFNBDZRJ-CQSZACIVSA-N 443.481 1.741 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 913258321 HETFLWWOZQJZPJ-CDLBBTFPSA-N 439.516 1.969 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(F)(F)c2ccccc2C#N)CC1 1146284572 NMYGEQNIVNYKLR-UHFFFAOYSA-N 448.495 1.903 30 10 IDEE C#CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1146919571 GEAYDVOBWRPGPY-UHFFFAOYSA-N 435.889 1.046 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1S(=O)(=O)NCC#N 1175675338 DDDDLOADTNQHCE-QAQDUYKDSA-N 429.502 1.707 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC3CN(c4ccc(C(F)(F)F)cc4)C3)C2)c(=O)nc1O 1251157682 HCEOERXEXPQXQN-UHFFFAOYSA-N 434.378 1.294 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCOCC1 1286515943 UGOVDVBSXCYFQH-PMOQBDJRSA-N 431.581 1.891 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1 1286546812 LQYWGWOYQZETMN-SZMVWBNQSA-N 439.582 1.652 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286606468 QPHBCPVAEHIVCX-HOTGVXAUSA-N 445.524 1.906 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1286726079 ATDFJRVHWCZOHH-KRWDZBQOSA-N 436.538 1.148 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1286775077 YRRZLBIWMFFMGA-MRXNPFEDSA-N 447.561 1.975 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286787860 KNLYYIBGLDNJBA-KRWDZBQOSA-N 442.495 1.186 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286792064 LMZZSGPTQJABJZ-AOMKIAJQSA-N 445.495 1.683 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)cc1 1288169827 KOJUHTWYCJQWRK-LJQANCHMSA-N 439.520 1.030 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1288528784 BTVOMEANYPSTPX-KBPBESRZSA-N 436.563 1.443 30 10 IDEE Cc1c(Cl)cccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1289269405 YQXBINNIZZCULS-HOTGVXAUSA-N 435.937 1.919 30 10 IDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1298886098 CTDGXFCHAUTGIO-GUXCAODWSA-N 438.573 1.743 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1300284950 WEWFVZJIAWYLEJ-IRXDYDNUSA-N 431.562 1.527 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@H]1CO 1300532337 RYKHBNIZPYPKMN-SFHVURJKSA-N 438.532 1.316 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1300630517 CTHWIQRAYHBVIY-SFHVURJKSA-N 429.546 1.872 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1300701119 HFJHLWYDKUKKCC-HXUWFJFHSA-N 429.613 1.175 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1300712541 UIGQAEFNPLQYPR-UHFFFAOYSA-N 443.640 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCSCC2)CC1 1300732779 PEGFVJVNXFRITD-GOSISDBHSA-N 432.594 1.144 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1300914785 GUBUTFNJWSRVTA-OAHLLOKOSA-N 440.595 1.713 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1301489970 ILIUGPORUMVAKY-NRFANRHFSA-N 446.939 1.872 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)N2CCSCC2)C1 1301556792 MBSGNESJQGTGBR-QGZVFWFLSA-N 443.639 1.637 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301578195 ZLCLZFCBRRZXID-HOTGVXAUSA-N 433.534 1.695 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1301586771 JESRUZVRNGBCDJ-MRXNPFEDSA-N 425.599 1.818 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1301652636 NISIHKUBIHYDNF-WMZHIEFXSA-N 438.532 1.927 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NCC(F)F)CCO1 1303001616 FPHOHMURAAEUEU-CQSZACIVSA-N 442.430 1.445 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1303183059 HKQKNLXJUGUCDT-UHFFFAOYSA-N 445.593 1.486 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1304409463 AVZQHSUIKNDHQU-HXUWFJFHSA-N 448.524 1.643 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCO1 1315006742 HAJKEVDMNLEMJI-LJQANCHMSA-N 446.515 1.277 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1316264739 RZXODDABPLHSBS-VGOFRKELSA-N 427.505 1.864 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(N)=O)c2)cc1 1319187987 NWBQXSUCWCECKP-HEHNFIMWSA-N 436.515 1.399 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N2CCOCC2)CCSC1 1358870158 HDCYDXRTWGXOSF-HTAPYJJXSA-N 448.637 1.862 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCC1 1358971947 OHPSVGCBXQQFGR-UHFFFAOYSA-N 427.486 1.893 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1n[nH]c(C)n1 1359022923 QXFBKLGIDBDVAU-UHFFFAOYSA-N 431.504 1.886 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1359024251 IZZFSMQUDXQGRS-OALUTQOASA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2cccs2)CC1 1359030865 JABBMHFUOKXSFG-VXKWHMMOSA-N 445.589 1.655 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1359038339 SMODFGJCBBXBJS-FQEVSTJZSA-N 436.560 1.932 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCOCC2)CC1 1359039801 WPVAADCHHPAHHP-UHFFFAOYSA-N 429.496 1.293 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)CCC)CC1 1359041793 IRYFPKVFWDAYDF-XZOQPEGZSA-N 447.580 1.447 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359047977 AEUUQNDPTARWGH-OAHLLOKOSA-N 436.582 1.886 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1359089258 FUGNXLVJAGBGQE-KBPBESRZSA-N 443.346 1.372 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359455274 LAZIKYPZVSSSPW-OAQYLSRUSA-N 448.531 1.753 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1359554627 QPDACWSWYWNDDX-SJORKVTESA-N 432.525 1.768 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCSC2)CCOC1 1360339388 TVFRLACNYJQADG-GUDVDZBRSA-N 425.530 1.629 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(-c4ccccn4)n3)CC2)cc1 1464034319 NANALLKKNGUEOU-UHFFFAOYSA-N 434.481 1.557 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1469435798 RCSJGUMFKGQHMY-GUDXXQAFSA-N 434.518 1.349 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)CC1 1469922370 OXOZRYOEMHBEPY-HOTGVXAUSA-N 445.482 1.711 30 10 IDEE C[C@H](CC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1470491569 MTBFDDLCDHYCGH-IAGOWNOFSA-N 448.589 1.606 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)Cc1ccccc1 1472036762 YSRFGRKNZCLFGO-SVMVAKDDSA-N 447.557 1.909 30 10 IDEE CN(C)[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)CCSC1 1503389489 DQOXMUKOLQEZEE-NHCUHLMSSA-N 431.610 1.968 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCN(CC)CC1 1507512636 ICRJBIRFZWWKGP-IBGZPJMESA-N 438.580 1.801 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1507631350 OUDKJMUJLCSLLT-LAUBAEHRSA-N 445.545 1.081 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC2CC2)CC1 1507722614 BWPUSAFTLGFOQX-UHFFFAOYSA-N 438.532 1.244 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1507819105 ODGUZGKOCLWQNZ-HXUWFJFHSA-N 441.598 1.757 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507838824 JEHJYIOJAXIOOR-LJQANCHMSA-N 444.492 1.787 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1508071896 NHDOHIMTRVOSML-PKOBYXMFSA-N 438.532 1.783 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cncn2)C1 1508132443 UMURKHHWXSTZIZ-OAHLLOKOSA-N 428.522 1.343 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(c2nc(C)no2)CC1 1508137817 RPUYZCVURAVQIY-UHFFFAOYSA-N 431.522 1.949 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1508140260 LKMWANLUHGAHKK-OCCSQVGLSA-N 448.471 1.435 30 10 IDEE CCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516687978 QTDUUYBGMGGLRD-SJLPKXTDSA-N 436.582 1.173 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCC1 1519158956 ICDIRCKQWIDMTR-UHFFFAOYSA-N 433.534 1.630 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1519373981 LOBACOPVHYHXGE-NQIIRXRSSA-N 429.546 1.926 30 10 IDEE CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1520014937 ABJKRYNOTKCRPN-QGZVFWFLSA-N 431.566 1.781 30 10 IDEE Cn1c(C#N)ccc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1531787358 SORMOWAUAYBOLN-JSGCOSHPSA-N 428.411 1.890 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)[C@@]3(C#N)CC34CCCC4)cc2)CC1 1538128989 WJZHUTHYKURKOS-NRFANRHFSA-N 431.514 1.783 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1539016389 UCIBQJKUIJWPOQ-PKOBYXMFSA-N 445.589 1.627 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1539211210 JEGUSIIGUPCCIE-SFHVURJKSA-N 430.578 1.555 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1539239664 OALFLTZYOAQLOQ-MSOLQXFVSA-N 428.562 1.486 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1539369386 KTDOSRVGKUBRKA-SFHVURJKSA-N 439.545 1.577 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1539557567 XEROLQRHEWBCHD-WAOWUJCRSA-N 433.578 1.959 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1539951547 RKULPCWNTXIHLN-INIZCTEOSA-N 443.566 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)CC1 1540865688 OZASOEPOQMGRNT-UHFFFAOYSA-N 438.351 1.579 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCn2nc(C)nc2C1 1540900497 XTZODHGSOWEPMQ-UHFFFAOYSA-N 443.533 1.475 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2c(ccnc2O)C1 1540905163 UDVGYOSICWKRMV-UHFFFAOYSA-N 440.529 1.528 30 10 IDEE COC[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555372827 LDVCIKWVTDNUEG-DVSFIDLUSA-N 442.545 1.930 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCC(O)CC1 1555628700 KKYKMEBSRBMDJP-SFHVURJKSA-N 434.585 1.979 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc2c1OCCCO2 1555671281 PTYRSADWLVAKOV-WMZOPIPTSA-N 443.504 1.940 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)C(=O)NC(C)C)nnc12 1558995306 GORIDMZMKOANRQ-ZDUSSCGKSA-N 428.518 1.352 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCC4(CCC4)CO3)CC2)cc1 1565353753 WUTJEDAZBAEUSK-GOSISDBHSA-N 432.546 1.923 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1567645718 FGKVTCXYBSUJNR-JOCHJYFZSA-N 446.552 1.401 30 10 IDEE N#CC1(CC(=O)N2CCN(c3ncc(I)cn3)CC2)CCOCC1 1586810823 LIFZQVNIXQHPOH-UHFFFAOYSA-N 441.273 1.440 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN/C(O)=C1\N=CC=CC1=O 1587549984 HEOMXBPPDFGLQJ-HMWBCQRISA-N 427.509 1.181 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1587638078 BGKDBQNRBLBUJW-MAUKXSAKSA-N 433.534 1.126 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1588138263 BHUJJYUMAPHGCZ-KRWDZBQOSA-N 444.536 1.138 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1588174628 YIGCWPGGBZQQOC-UHFFFAOYSA-N 442.483 1.790 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1588384844 CQIZXGAUUFBCKF-IBGZPJMESA-N 431.562 1.622 30 10 IDEE C=C(Cl)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1593931815 AFDXYKLGQTVISK-QGZVFWFLSA-N 433.962 1.201 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)OC(C)(C)C)CC1 1594015230 ZCPNHNWHZVQNET-OAHLLOKOSA-N 442.586 1.960 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595594659 NYMXWPMSUWUOAO-KRWDZBQOSA-N 447.561 1.345 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](COC(C)C)C1 1595789208 PKALSBDTTGHUMO-GOSISDBHSA-N 449.577 1.880 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(CCC)CC1 1595798857 UQNOWSTZJXFNAO-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)nnc1C(C)(C)C 1595831538 RSNLOKDCHRAGHY-YRNRMSPPSA-N 426.583 1.949 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1)S(C)(=O)=O 1596869982 UHMPPQBPTJWKKU-JTDSTZFVSA-N 447.561 1.880 30 10 IDEE C=CC[C@H]1CCN1C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1603352894 IHIYEQCHVYKZPI-GXTWGEPZSA-N 433.452 1.795 30 10 IDEE N#C[C@@]12CN(C(=O)COCCc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1611165435 OTSVAJQVLRPEKM-YOEHRIQHSA-N 427.320 1.405 30 10 IDEE COCCS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1611648721 GUTDBVWSETZDEZ-UHFFFAOYSA-N 446.481 1.624 30 10 IDEE COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1619245478 HDLGRVFMTAEUNI-QGZVFWFLSA-N 428.493 1.405 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCC2)c1 1620150232 HYSKHNNFOYONOG-FQEVSTJZSA-N 432.525 1.886 30 10 IDEE N#Cc1ccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCSCCCO)cc1 1620349727 RVSMIHBXRXKXPJ-MSOLQXFVSA-N 426.546 1.647 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)cc1 1625680557 ALYNQILDPGPCEH-VAMGGRTRSA-N 437.500 1.363 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1627790754 SJNVMIWNQGCYAS-INIZCTEOSA-N 444.513 1.574 30 10 IDEE N#CCOc1cccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)c1 1628995827 DXYYWHPGFLVZGO-UHFFFAOYSA-N 435.527 1.726 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)nn1 1634470854 QGXNHJXTGFEYOZ-MRXNPFEDSA-N 432.525 1.538 30 10 IDEE Cn1cc(N2C[C@@H](C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)CC2=O)cn1 1634568571 ARMHSUSMHAUBMU-QFBILLFUSA-N 426.908 1.835 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O 1635587602 AIJLITQYRYVLPZ-CGFWXXMQSA-N 448.520 1.457 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1=O 1635691267 TUGXBLOAOAUJJR-CYBMUJFWSA-N 444.271 1.168 30 10 IDEE C#C[C@H](CO)NC(=O)COc1c(I)cc(Cl)c2cccnc12 1637747142 XMIAQSAPZKQKOH-SECBINFHSA-N 430.629 1.982 30 10 IDEE COC(=O)C[C@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCCOC1 1639043353 YMTNPGOXZJDIAD-LJQANCHMSA-N 436.306 1.985 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CCOCC1)C1(CO)CCC1 1639198399 HVIHKFMOXOGBDT-LJQANCHMSA-N 435.546 1.189 30 10 IDEE C#CCC1(O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1644428547 HZKJTXKTNRAPTM-MRXNPFEDSA-N 432.498 1.001 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c1 1654219744 IOUZGMHXANDBIO-BGYRXZFFSA-N 430.464 1.433 30 10 IDEE C=CCOc1c(Cl)cc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC 1656467137 VDEZHJBKKLSNRT-IAGOWNOFSA-N 430.954 1.501 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c(C#N)cn1CCOC 1676108620 GFNFXBGNTRXMTF-GOSISDBHSA-N 446.552 1.427 30 10 IDEE C[C@H]1C[C@@H](CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN1Cc1ccccc1 1680697980 VQYKHKDRPFELDX-ZJDLJICXSA-N 430.574 1.867 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1682987454 GRCROORQFIFDGD-QGZVFWFLSA-N 430.509 1.421 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@@H](C)CC 1689966576 WDUXKRWWSMAJGQ-DLBZAZTESA-N 448.568 1.961 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690298435 XSWQYNVAPKUMDU-WMZHIEFXSA-N 448.612 1.932 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 1690471985 AJBHUAILDLAWDO-OAHLLOKOSA-N 439.611 1.633 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690473665 CSBZYNPOMJUHKU-OAQYLSRUSA-N 446.577 1.863 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1690485284 ORBUCDIBUYCGIL-OAHLLOKOSA-N 440.595 1.713 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@H]21 1690508083 AUCJUGSPRMEQQF-ZACQAIPSSA-N 425.555 1.192 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CS(C)(=O)=O)CC1 1690519881 ASYZCEUUGSIKAA-UHFFFAOYSA-N 428.522 1.368 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1690527306 MYFZCSADYKHGKG-IBGZPJMESA-N 449.577 1.793 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCc2c(ccnc2O)C1 1690676899 IBJCAEYPUAUBLU-UHFFFAOYSA-N 438.463 1.962 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690719581 PRVLXEVHUQWJHO-PBHICJAKSA-N 446.512 1.316 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CCN1CCOC(C)(C)C1 1690732244 XSNHILYEIKUEMS-QGZVFWFLSA-N 441.598 1.277 30 10 IDEE CCc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694694783 SZEKCULYPHHLFV-QZQOTICOSA-N 436.516 1.855 30 10 IDEE CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1695630471 WLUJDBTYWKFGNH-OGLOHFSISA-N 432.525 1.691 30 10 IDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)(F)F)CC1 1698488014 ARUTZIGVPABOKB-UHFFFAOYSA-N 436.398 1.344 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705492697 VLJHICOIWMRNHI-XHSDSOJGSA-N 439.582 1.941 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1705507566 GSWHPWGYQNRLDA-SFHVURJKSA-N 441.557 1.722 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705572083 QEUPUCPOHNUJAJ-UHFFFAOYSA-N 448.571 1.494 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1705612128 ADOBGQBNYLAJSS-QZTJIDSGSA-N 440.614 1.047 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCOCC1 1705618510 JTZWKHXPRZRHPI-UHFFFAOYSA-N 429.496 1.737 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2csc(COC)n2)CC1 1705635477 ZOSKBXASHJMVMR-NRFANRHFSA-N 446.577 1.337 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1705702583 ICQVVGMLFFEHHH-AZUAARDMSA-N 426.521 1.616 30 10 IDEE C=C(C)COCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1705740703 UIZPGDMOKPPSSG-UGKGYDQZSA-N 430.553 1.699 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC[C@H]2C)CC1 1705769644 YTBHTASSJJNZDK-SQNIBIBYSA-N 439.582 1.440 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)C1 1705917465 WQDBREGEPPXYCZ-GDBMZVCRSA-N 436.538 1.122 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1711340190 PEZCAZYQYOIPDW-MSOLQXFVSA-N 435.532 1.694 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1712639810 LHPNMPKYYNLCFI-XGHQBKJUSA-N 428.468 1.591 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722358363 AVNHJBQOLHWVDK-SJLPKXTDSA-N 430.530 1.617 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722447459 IBKDWJONWXQDDC-MRXNPFEDSA-N 433.578 1.336 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722571483 BTZVDGREBPUPLU-LZJOCLMNSA-N 438.594 1.903 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2cnccc2c1 1722685727 KYXRJJBSMJDDDN-IBGZPJMESA-N 442.545 1.982 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722704315 QPGOHGWDYBDVJY-IYBDPMFKSA-N 448.568 1.966 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)C[C@H]1C 1722706169 MMGPKOQBNDBEHP-MRXNPFEDSA-N 442.520 1.225 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCO2)C1 1723007349 HVPXLOHKUBRDIJ-YVSFHVDLSA-N 432.525 1.957 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)n1 1726138247 KLFIAKXLZPGXSH-RBUKOAKNSA-N 429.525 1.312 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1726514832 MQEWWKNADRRMCO-ZIAGYGMSSA-N 429.550 1.775 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1728419943 USEHLUISZQNUED-SFHVURJKSA-N 442.520 1.761 30 10 IDEE COc1ccc(COCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1730177012 YXVQARZQIYDVGR-MOPGFXCFSA-N 440.504 1.573 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1730725755 DURXZHXMMDTJJJ-UHFFFAOYSA-N 441.536 1.673 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740575456 SOMBNXRVPNVWNM-QGZVFWFLSA-N 448.549 1.226 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624878 BLAYSGITBBXZEB-QZTJIDSGSA-N 437.610 1.214 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1740640813 XBMQBEPZXIAAIT-QHCPKHFHSA-N 448.571 1.891 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCSC2)C1 1740985135 CALFYQQMBCLIEA-GOSISDBHSA-N 427.596 1.351 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1746334796 FDNVXEPLOGEIDH-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)c1 1748157254 MCFAFWGEIKMBIN-QFBILLFUSA-N 442.520 1.333 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1748667696 YKGSITYILLMSDQ-IPELMVKDSA-N 436.516 1.853 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCS1(=O)=O 1748840721 HQWONVUMUHCTRW-UHFFFAOYSA-N 436.541 1.545 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1748887956 KCFAXYRRHKXLES-UHFFFAOYSA-N 434.456 1.492 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)COCCO1 1748920430 MZGWXFBZJNJVCH-FQEVSTJZSA-N 432.550 1.503 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OCC)CC1 1748971465 QPMIJVMMUVAEMA-UHFFFAOYSA-N 436.560 1.911 30 10 IDEE COc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(C#N)o1 1748995694 FHLAOHFTMAJHEP-UHFFFAOYSA-N 436.472 1.937 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749252556 SEZHEBDAKJSRJZ-MRXNPFEDSA-N 448.959 1.995 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749723602 AFMNRTZBRNHOMP-SFHVURJKSA-N 449.577 1.606 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1749756561 ZKDHQSIQCZRHCV-MRXNPFEDSA-N 449.606 1.216 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCN2CCCC2)c1 1760127555 CXQUDURXCXLKNV-UHFFFAOYSA-N 449.559 1.553 30 10 IDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760132715 MRIDKRGIOZAQJR-IBGZPJMESA-N 426.477 1.998 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760157632 WIGFDMKLDFHPBC-LJQANCHMSA-N 436.516 1.786 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCSC2)n1 1760253161 WQOLBWUJYSFGOK-QGZVFWFLSA-N 440.577 1.914 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1760260995 FWMPESLXKZRANJ-QFIPXVFZSA-N 432.638 1.440 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2OCC[C@H]2C)CC1 1760265139 OYKFVZLOHXQCIP-VQIMIIECSA-N 444.580 1.587 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760512019 XXEPGVWGJCPUCO-NRFANRHFSA-N 425.581 1.681 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760519016 OVAKMCCVQXTDRO-GOSISDBHSA-N 428.537 1.697 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1760527801 JDTNMZBBNYQOAO-OAHLLOKOSA-N 430.484 1.390 30 10 IDEE CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760946790 SJLIESOJTMWKML-LFWLKJPASA-N 441.536 1.628 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nncn2C)cc1Br 1761760849 VTMTWUISSQLUKV-CQSZACIVSA-N 443.309 1.922 30 10 IDEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1764221962 BHKVLBPYUIWZIT-GOSISDBHSA-N 439.520 1.759 30 10 IDEE CCOCCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766536948 DCTHIGOXBIKUNV-UHFFFAOYSA-N 449.563 1.931 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1769034154 BCFULDOTOKWYCG-QGZVFWFLSA-N 431.566 1.838 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCOCC1 1769696243 WRVIOAWMKUSAAR-HNNXBMFYSA-N 438.479 1.800 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1770676280 HKBNGRVAFUWTCD-UHFFFAOYSA-N 434.447 1.393 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1770790743 BJIUPVLOIRRMBR-DLBZAZTESA-N 427.484 1.412 30 10 IDEE Cc1ccc(N(C(=O)CN2CCOCC2)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1848471812 UZNLSCOIGMRCRL-UHFFFAOYSA-N 445.545 1.666 30 10 IDEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1849720055 AIVUGYRKBHVDJS-SFHVURJKSA-N 432.546 1.775 30 10 IDEE C=CCN(C(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O)[C@@H]1CCN(C)C1=O 1849757142 BLNWCFNJFKPEIP-QGZVFWFLSA-N 426.473 1.173 30 10 IDEE C=CCN(C(=O)Cn1ncn2nc(-c3cc(C)ccc3C)cc2c1=O)[C@@H]1CCN(C)C1=O 1852009591 VEFGJMFXQYQFKX-LJQANCHMSA-N 434.500 1.420 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3nnc4n3CCCC4)CC2)cc1 1853571169 NYHGBKRVMXBVNT-UHFFFAOYSA-N 425.537 1.294 30 10 IDEE C=C(C)CN1CCN(C(=O)CCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)C(=O)[C@H]1C 1854648828 QJEFUVLJVMFLNP-MSOLQXFVSA-N 436.578 1.428 30 10 IDEE COc1ccc2ccccc2c1CCC(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O 1854722017 DVRMKRYDXFINAB-HNNXBMFYSA-N 429.498 1.694 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)C(=O)C1 1855396386 VGWIJFDWLWJQSO-IBGZPJMESA-N 433.574 1.930 30 10 IDEE Cc1cc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)ccc1F 1856602574 HPNLDULFZLTHKE-SFHVURJKSA-N 437.493 1.980 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 1858075580 NKAVOEDBFROPLC-UHFFFAOYSA-N 448.526 1.405 30 10 IDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871620013 ZAIKXGDXJFYMCV-UHFFFAOYSA-N 431.497 1.627 30 10 IDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562554 IRQRJIRYFHZMQN-UHFFFAOYSA-N 430.509 1.350 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN3CCOCC3)SCC(=O)N2C2CC2)cc1 1889236267 SOZKDBHDZZORIX-YADHBBJMSA-N 443.569 1.295 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1909082358 PFZCIYWSWZVFOR-ILXRZTDVSA-N 439.509 1.872 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1984990669 NMWBCOOAZXVKGM-HRCADAONSA-N 425.526 1.637 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216454271 OALOJOKDSBYTHA-IAQYHMDHSA-N 427.361 1.822 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248411833 CIINMGWMMGOPGS-UHFFFAOYSA-N 430.257 1.355 30 10 IDEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255529584 MKRXWFAEPJTDOR-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255596276 LUAXYZRQYUGFSL-KBPBESRZSA-N 432.330 1.648 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255622570 BJYCBXFHRGSITA-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626349 FOZXQYZYSXBVBN-LRTDBIEQSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255633039 VQNHZZLBVZWEMK-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255839252 SPNHFKTWKHGMAL-AWEZNQCLSA-N 432.330 1.763 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2255878237 VKGMDBZEDBEBMM-HOTGVXAUSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2267107118 JHXOPJCDHXRKAZ-INIZCTEOSA-N 449.357 1.501 30 10 IDEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267267302 JHEJYBRRMSWTBL-WCQYABFASA-N 442.247 1.305 30 10 IDEE CC[S@](=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267708569 MIJHFXCKXWVNCQ-DEOSSOPVSA-N 427.806 1.748 30 10 IDEE C=C(CS(=O)(=O)N1CCSC[C@@H]1S(=O)(=O)CC)B1OC(C)(C)C(C)(C)O1 2282512846 WCDWFSSKLSGNTC-ZDUSSCGKSA-N 425.403 1.313 30 10 IDEE COc1nc(N(C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317501182 DJIXAJKMIXHIDO-CQSZACIVSA-N 437.346 1.711 30 10 IDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccnc1 2325917961 HVCNLWLEJZPNCB-KRWDZBQOSA-N 435.513 1.649 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO[C@@H]1C2 2334265319 DAQJESJZRMQJDQ-MCFFVMPBSA-N 447.341 1.868 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2337203874 CZSIDJVENGIUQD-ROUUACIJSA-N 436.365 1.970 30 10 IDEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)cc1 20292325 MGHLFVVKBDOIDP-LSHDLFTRSA-N 427.490 1.566 30 10 IDEE C#CCOC[C@@H](O)CN(Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)CC(C)C 36207172 WHZIEQGLQQNLJZ-HNNXBMFYSA-N 435.546 1.938 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 427988543 DSXIZJYXRLHZLQ-AWEZNQCLSA-N 428.518 1.174 30 10 IDEE COc1ccc(Cn2nccc2NC(=O)C(=O)NCC2(CC#N)CC2)c(OC)c1OC 430318049 HSNGRQFPDXVRBH-UHFFFAOYSA-N 427.461 1.706 30 10 IDEE CCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 477951498 WLTUPUMMFCZZEV-UHFFFAOYSA-N 428.518 1.283 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3CCN(c4ccccc4)CC3)CC2)nc1 484236516 VKCWSYWAXMDGEK-UHFFFAOYSA-N 432.528 1.635 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1 487879436 LKKCWIVIEUSJLR-CYBMUJFWSA-N 430.328 1.713 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 503623396 BZCRGTJDBHAAAX-UHFFFAOYSA-N 432.546 1.378 30 10 IDEE COc1ccc(C#N)cc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 504811290 UOKROMKZYKIRAA-UHFFFAOYSA-N 440.481 1.109 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2F)CC1 507501678 GEUKJKBTDDJGDI-UHFFFAOYSA-N 427.454 1.532 30 10 IDEE C=CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 508818944 VNPHCLAHHNJMIS-SFHVURJKSA-N 444.495 1.951 30 10 IDEE CC(C)CN(C(=O)CNc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCS(=O)(=O)C1 510133775 KCWHKCLYVSCMSF-HNNXBMFYSA-N 433.509 1.967 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCc2nnc3ccccn23)n1 513315988 KRPZGADDMGBXEA-UHFFFAOYSA-N 432.419 1.613 30 10 IDEE N#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 519907717 XKSGWSFUVIECAU-UHFFFAOYSA-N 443.485 1.089 30 10 IDEE CCc1nn(C)c(CC)c1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 533626523 GAXHQMWKXBKPQW-UHFFFAOYSA-N 444.561 1.633 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCc3cccnc3)c2=O)c1 540695106 VHPNGRVHVHGCEV-UHFFFAOYSA-N 448.548 1.988 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1-c1ccccc1C#N 610928799 IDPPPQKIZORUMO-UHFFFAOYSA-N 426.910 1.735 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742106679 XIHKSRANGSKOEI-SFHVURJKSA-N 443.525 1.968 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)OCC[C@H]2C1 765262705 LLJQZOJSAZTEJV-HOCLYGCPSA-N 434.518 1.193 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cccnn2)C1=O 766418153 YHCMLOIPPQWRRF-GOSISDBHSA-N 437.529 1.548 30 10 IDEE COc1ccc(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 767679473 HZHHYPFZFDTOQP-CYBMUJFWSA-N 432.454 1.668 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cc1F 768422847 VAUHKHAEMBIQJW-INIZCTEOSA-N 447.540 1.462 30 10 IDEE CCC1(CC)CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 779361233 QYWICHRFNLROQW-AWEZNQCLSA-N 441.575 1.320 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 802497817 WWYVCCPGJNTTNL-XLIONFOSSA-N 426.521 1.532 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@H](CO)c2cccnc2)cc1 806220200 VIJCHSICDZZZBE-KGWRKDBXSA-N 431.518 1.792 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 812177891 SGZJRSAUUBFRNP-KSFYIVLOSA-N 446.552 1.879 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 814145893 RDAVYHARQLTMNU-HSZRJFAPSA-N 435.484 1.687 30 10 IDEE Cc1ccc(O[C@@H]2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 858056727 FHDBTYNQJZJTRG-JKSUJKDBSA-N 428.514 1.887 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)Cn2c(O)nc3ccccc3c2=O)CC1 915404988 JJIKPGKBQKMWJI-HEOKHYPTSA-N 426.473 1.965 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 917509653 YPTDGWXNNUXGCS-KRWDZBQOSA-N 428.470 1.372 30 10 IDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1132004462 GFPONVJOAXLXNS-IBGZPJMESA-N 429.498 1.527 30 10 IDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1-c1ccc(OC(C)C)cc1 1134056617 STPQWKKZTHRDAF-BTYIYWSLSA-N 443.529 1.627 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccn(CCN4CCNC4=O)n3)CC2=O)cc1Cl 1134186809 DRAIZBGUDNXNDM-CQSZACIVSA-N 441.879 1.425 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCCCCCS(N)(=O)=O)cc1 1141821315 PWIRBQOSMYLPHC-FXBPSFAMSA-N 444.579 1.677 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)Oc3cc(F)ccc32)cc1 1144510564 KZYCHWBLCZDFTB-SFHVURJKSA-N 434.445 1.871 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc([C@H]3CCCN(CC(=O)NCC#N)C3)[nH]n2)CC1 1174796903 CDNZNAAUSTWPTC-INIZCTEOSA-N 431.541 1.286 30 10 IDEE C=CCOc1c(Br)cc(CNC2CN(S(=O)(=O)N(C)C)C2)cc1OC 1179294526 CYGKMXIUADIECH-UHFFFAOYSA-N 434.356 1.603 30 10 IDEE CS(=O)(=O)c1cnn(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 1190184588 BKOGCWZGHZFCHV-AWEZNQCLSA-N 431.518 1.656 30 10 IDEE CS(=O)(=O)c1cnn(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1 1190184597 BKOGCWZGHZFCHV-CQSZACIVSA-N 431.518 1.656 30 10 IDEE C#CCN(C(=O)N[C@H](CC)C(=O)N1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1222867062 DHBFTUSCJYBBQO-GOSISDBHSA-N 436.553 1.668 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1286272349 BMHOADURENOITM-CABCVRRESA-N 432.550 1.144 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286328031 LPTWJTKPSMUEKU-HSZRJFAPSA-N 435.532 1.882 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286379614 YKRGQVYPAGFNAD-HNNXBMFYSA-N 428.459 1.123 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286396387 PNGMHNGEMCRALD-QAPCUYQASA-N 434.566 1.049 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)OCC)CC1 1286493722 GISQFNXTRLNXFJ-OALUTQOASA-N 447.580 1.783 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286712260 UYXCJDIDOXXUJY-KRWDZBQOSA-N 427.571 1.237 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)cs1 1290435566 UTOGSJGWAAOBKM-OALUTQOASA-N 445.593 1.600 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1293215670 DTGJQOZKVZRORA-KRWDZBQOSA-N 444.561 1.745 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CSCCN1Cc1ccccc1)c1cc[nH]n1 1296344893 OBIHZUWHKPWPRS-KRWDZBQOSA-N 445.545 1.427 30 10 IDEE CN(C)CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1298086321 BQMPIBBMIRFCON-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1299626673 FHBSNNMJVLYVEQ-KRWDZBQOSA-N 442.516 1.789 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)cc1OC 1299991908 FQRGTWVCOQDGPZ-AWEZNQCLSA-N 438.492 1.854 30 10 IDEE C#CCCCn1c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nnc1C(C)(C)C 1300424344 DUKLMUFYIPZSES-UHFFFAOYSA-N 438.580 1.942 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 1300635863 ZBNKIZZOQJVFMY-QFIPXVFZSA-N 438.576 1.518 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1300716765 QOQRAJOUGYZOGO-KRWDZBQOSA-N 442.486 1.206 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCN2CCCO)CC1 1300724711 CHUMZAXYBHKYGJ-FQEVSTJZSA-N 430.597 1.289 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1300843696 DTKOFCJTAOCAJO-HUUCEWRRSA-N 439.358 1.296 30 10 IDEE C=CC1(CC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CN(C(=O)OC(C)(C)C)C1 1300849229 UNZDDMMTUVQNNV-HNNXBMFYSA-N 427.509 1.632 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 1300891205 KBTSHPAJVCBYGQ-GHTZIAJQSA-N 430.553 1.440 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1)C1CC1 1301314599 XYTXGGGNBGRFAI-QOKNQOGYSA-N 425.555 1.381 30 10 IDEE COCC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301328592 LGMRZFLHKWXCEG-CZIZESTLSA-N 425.493 1.662 30 10 IDEE C=CCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@@]1(OCC)CCOC1 1301472894 YAZAOCVMLFIGDN-JOCHJYFZSA-N 425.489 1.849 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1301484805 NRGCWDRTEBSAGX-QGZVFWFLSA-N 447.561 1.512 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1302502647 JXZKNLONTHJERT-DHIUTWEWSA-N 438.532 1.852 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1303934233 PYMPTKFDTFGOTJ-MBOZVWFJSA-N 436.582 1.726 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(C)n1 1314740799 BDAFDVPHGDWKIC-UHFFFAOYSA-N 447.528 1.954 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1358871693 JBUJKSXBDVELBA-VXGBXAGGSA-N 428.465 1.391 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1ccco1 1358880414 LMEOMMSXJNGWMV-HNNXBMFYSA-N 431.460 1.402 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358892736 GCBGHINKEUZPRC-SXLOBPIMSA-N 442.589 1.926 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1358933538 WSQDBRMVWYRTNR-LJQANCHMSA-N 425.537 1.381 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358946710 GDYZEOGFJQAYRS-QGZVFWFLSA-N 441.536 1.018 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959456 JFIUTNBUPIPWFA-GOSISDBHSA-N 429.546 1.440 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1358965980 FUXHZDQXFMIFBL-INIZCTEOSA-N 446.577 1.210 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1358976973 YRKUTAKORMDCAQ-UHFFFAOYSA-N 445.483 1.107 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1358977623 QZMLGXQNRDGBQJ-QGZVFWFLSA-N 447.586 1.941 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(=O)N(C)C)CC1 1359032044 ZBPSVKWQULZVLF-INIZCTEOSA-N 426.590 1.975 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359083240 FRMLRRIWRLJUBN-ZNMIVQPWSA-N 444.399 1.762 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1359270490 QZMKRGAIDQABBR-UHFFFAOYSA-N 442.545 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CCC)C1 1359334424 FFUGYHBZFKFBQL-INIZCTEOSA-N 425.555 1.007 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1360783706 QEHYRQKLSUKDCH-FQEVSTJZSA-N 427.534 1.886 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccsc2S(N)(=O)=O)cc1 1441665646 MXNUTEBOQFNGSD-XMHGGMMESA-N 442.544 1.461 30 10 IDEE C#C[C@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1460312697 YQABARWCNBSWMW-HNNXBMFYSA-N 425.938 1.645 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(Cc3nc[nH]n3)CC2)n(-c2ccc(F)cc2)c1C 1460327104 ATJFDGRJXNAYMO-UHFFFAOYSA-N 436.495 1.979 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 1464263817 BPEJMSWPLSWFGO-FQEVSTJZSA-N 429.565 2.000 30 10 IDEE CC(C)(C)N1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 1469407241 ZBCJFOFELYGXTR-INIZCTEOSA-N 434.562 1.801 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)OC)CC1 1471450647 FZHJRCXJHSUPNL-UHFFFAOYSA-N 441.509 1.366 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C2(CC2)C1 1472631927 CMWSRRZNKLNFRB-MRXNPFEDSA-N 434.518 1.352 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1503273138 MVSYDWUSMFKRIW-UHFFFAOYSA-N 446.577 1.887 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1507529041 PFCHGKMIIQIRSR-SGTLLEGYSA-N 426.901 1.745 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@H]1C 1507654198 XPBLPBBQFBLLHC-WOJBJXKFSA-N 431.606 1.908 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1507720571 UVOZZVZHBLQOFW-SXWKCWPCSA-N 447.580 1.486 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCN(CC)C2)CC1 1507884905 NGOYNSUWJFZJFR-ROUUACIJSA-N 438.598 1.109 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1508135181 FJLOOZDLXJXAJJ-UHFFFAOYSA-N 441.561 1.606 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1516946284 FZZFUKJWHZWIKQ-SPEDKVCISA-N 447.559 1.557 30 10 IDEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(C#N)c1Br 1524435878 QHLQWRGLKPUDHY-GFCCVEGCSA-N 428.308 1.086 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1539126504 WRHPHCBDUTWZDR-BZSNNMDCSA-N 437.566 1.030 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1539177943 CDOLTYZMCZZNCR-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CC(OCC)C1 1539332307 LOUKIXUAZAXWMF-UHFFFAOYSA-N 432.528 1.910 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOCC)CC1 1539890898 VJZVGCYPILQUKY-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540036543 OPRPIJWWVOSDON-ZWKOTPCHSA-N 446.552 1.879 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](OC)[C@H](OC)C1 1540867312 ROCZLNMDEQYXFF-HDICACEKSA-N 431.493 1.115 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540905975 XTGSXUUQAPMXDL-UHFFFAOYSA-N 449.581 1.054 30 10 IDEE C=C(Br)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1542487057 BGAZBANCQUTPOE-FRRDWIJNSA-N 437.356 1.681 30 10 IDEE CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)CC(F)(F)F 1554294253 PMEQXEQGRVVIKD-WBVHZDCISA-N 441.502 1.843 30 10 IDEE COC(=O)CC[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OC(C)(C)C 1557308985 CJVFEZRCOIOUBE-HNNXBMFYSA-N 442.465 1.516 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 1557428376 FBROMHIWZCJXSX-OAQYLSRUSA-N 427.526 1.356 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1=O 1561513645 MWEZUCUADDRONW-LBPRGKRZSA-N 434.287 1.095 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4sccc4S(N)(=O)=O)CC3)n[nH]2)cc1 1583847770 DJJYMJFSUNIYEI-UHFFFAOYSA-N 442.526 1.620 30 10 IDEE Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1585138481 ICQTYJIJOBWVGS-UGSOOPFHSA-N 449.330 1.954 30 10 IDEE N#Cc1cn(CCC(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c(=O)nc1O 1585321007 CEVVQMGRWJSRJC-UHFFFAOYSA-N 429.908 1.989 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2cnn(CCC#N)c2C)cc1 1587052263 MMGFKEXOUWLJBH-OAHLLOKOSA-N 427.461 1.665 30 10 IDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OC 1587305230 FQGYOACXQWLXIE-SECBINFHSA-N 425.326 1.413 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1587990281 UZMOPGFMFVKMEF-INIZCTEOSA-N 442.520 1.817 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCN2CC)CC1 1588733042 LCLLEPCHGYWTIK-HXUWFJFHSA-N 429.613 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C(C)C)N2CCCC2)CC1 1588968340 IVHBSKWOBIHNNM-FQEVSTJZSA-N 430.597 1.901 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CC(N)=O)C1 1589109495 CIURYLLBPZATQC-OAHLLOKOSA-N 446.602 1.728 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589514281 FSFGCDDZIHEUCW-JZXOWHBKSA-N 434.566 1.725 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1593690317 KCWPATZFSIUEJQ-FPOVZHCZSA-N 446.596 1.713 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1CC 1593746827 ODCOAQVMIMAASC-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)C1 1595664606 HSILHXKGZLKRAC-UTKZUKDTSA-N 434.610 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595798706 SHEZHVFIONNQGP-SOUVJXGZSA-N 426.495 1.235 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1598160643 ROYWVDNLQNVKDN-UHFFFAOYSA-N 426.498 1.342 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1627215059 XDVODNXCARFESM-INIZCTEOSA-N 443.976 1.534 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3n[nH]cc3C(=O)OCC)C2)c1 1634177980 OQZHDUGCTJECJE-OAHLLOKOSA-N 432.502 1.680 30 10 IDEE CN1CCn2ncc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)c2S1(=O)=O 1634967996 RLJJZAZADVNGAD-UHFFFAOYSA-N 433.465 1.212 30 10 IDEE C=CCC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OCC 1635698728 NXQWHXCSTAMXKJ-JTQLQIEISA-N 439.353 1.803 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1F 1639168982 RMGUIRFRKOMPQC-AEFFLSMTSA-N 426.510 1.730 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1639840085 ISHMZMKBZHSEMW-WBVHZDCISA-N 430.364 1.933 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 1639962574 OQTWUYKEOUEPFT-LJQANCHMSA-N 429.498 1.385 30 10 IDEE C[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1640637432 ZEAMJIHEQHRNDD-CABCVRRESA-N 445.520 1.877 30 10 IDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1643360211 OTAOHBNAQJCTKK-INIZCTEOSA-N 432.496 1.947 30 10 IDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cn1 1645239526 KECXDLLDGSPUSQ-IBGZPJMESA-N 443.529 1.789 30 10 IDEE NS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)sc1Br 1645738096 XECOLDMZKXMKEQ-UHFFFAOYSA-N 435.321 1.636 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2Cl)C1 1646381867 JHKWOWDOFFONKY-UHFFFAOYSA-N 430.913 1.907 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1648384758 GPDZESYCTFJVQI-DOTOQJQBSA-N 443.525 1.794 30 10 IDEE N#C[C@]12CN(CCC(=O)Nc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1654974527 DTAAZLDARSAHML-MEDUHNTESA-N 430.299 1.787 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C[C@@H]12 1655097629 OBEOARNMPXJCJA-ZCNNSNEGSA-N 442.541 1.648 30 10 IDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1660389558 PIMZTENRWFXYIE-HXUWFJFHSA-N 428.514 1.821 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNc1nccc(C(F)(F)F)n1 1689824874 ZPKHJISPJAFIKM-CYBMUJFWSA-N 436.442 1.893 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1689835808 SVSGVMFEDCGXAV-SJORKVTESA-N 441.532 1.915 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1689965993 IHSAEUVEJINAHP-LJQANCHMSA-N 447.561 1.322 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1689980388 QWSIFFDEBGGCEN-AEFFLSMTSA-N 448.545 1.383 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1689987895 DZZXSTXMLRQIII-INIZCTEOSA-N 432.550 1.425 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689989026 ALOBFWXNPKOOCK-WOJBJXKFSA-N 449.621 1.675 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1690020134 ZHMHCRKUWYOHNO-MRXNPFEDSA-N 433.559 1.102 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1690047709 XJSGZDSFLHZCLE-HAGHYFMRSA-N 445.589 1.510 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)=O)C1 1690101205 RUQZJELJYOIMKK-KRWDZBQOSA-N 442.520 1.350 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690506684 XQQZPDTXSZGYQA-FQEVSTJZSA-N 428.585 1.488 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690671545 YNCATTLFWCTSFT-RBUKOAKNSA-N 442.568 1.947 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCS(=O)(=O)CC2)C1 1690684504 HBNJCAOMRLBCHZ-MRXNPFEDSA-N 425.555 1.022 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1691001245 FSEPZZJKPBEVNV-UZLBHIALSA-N 428.566 1.539 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)c2ccccc2)CCOC1 1696023413 GBGFDJVEIHIEOP-UWJYYQICSA-N 447.561 2.000 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)NC(C)C)c1 1705504678 CNNYBYOTTAHURJ-UHFFFAOYSA-N 434.504 1.259 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705515601 IGJRAPLMTOURIS-RTBURBONSA-N 441.580 1.166 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1705517362 UNFUOBYHLOFUDN-HZPDHXFCSA-N 445.536 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705649069 JFFPTABWRHSXNT-SFHVURJKSA-N 435.532 1.221 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCC(=O)N(CC)CC)CC1 1705652953 SVXQTGMURQVKDD-LJQANCHMSA-N 444.580 1.744 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1705824284 LRXCYDHSCYSVRY-RDJZCZTQSA-N 427.571 1.486 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1705880623 KWNZZBKYGCJSHO-RDJZCZTQSA-N 433.534 1.492 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1705899551 WZSMSDTUMVXHHY-UHFFFAOYSA-N 432.532 1.981 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705900858 RVSQLRRBEBDARF-GOSISDBHSA-N 425.537 1.252 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1709013320 FIFJQWGHCPYWJD-KRWDZBQOSA-N 448.531 1.871 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1709413632 BBQOLLZISTVLOA-QGZVFWFLSA-N 434.508 1.274 30 10 IDEE COC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1712159974 FGEFWGZVZMHYHE-SFHVURJKSA-N 435.488 1.460 30 10 IDEE COCCN(C)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1712410548 ORTUIDDGTRGOQU-CZIZESTLSA-N 426.477 1.563 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2ccco2)CCO1 1712884733 RFMBGZNCGUTMKF-AWEZNQCLSA-N 442.426 1.899 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(COC)CCOCC1 1722284047 VNCNOSLGZSTYOF-KRWDZBQOSA-N 436.520 1.822 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@H](C)C1 1722386910 AQAULFVCQVWHCS-HKBOAZHASA-N 429.565 1.576 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OC(F)F)CC1 1722429515 MWRCKUJEHSBWSA-UHFFFAOYSA-N 432.475 1.821 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@@H](OC)C(F)(F)F)CC1 1722450853 SCSUIWIWNNJOKX-OAHLLOKOSA-N 431.459 1.748 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722620104 IWZZZJSRVSXVLG-QGZVFWFLSA-N 434.541 1.822 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1722644154 OPNWNNPLYRAGBI-UHFFFAOYSA-N 432.550 1.461 30 10 IDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1722854214 NYHLJDLBBKFLDG-UHFFFAOYSA-N 448.531 1.848 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1722996610 QZRYJIQVOORGKS-OAHLLOKOSA-N 433.513 1.158 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1723236315 HOOCOIIULCGYOK-NRASPWIFSA-N 430.509 1.170 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1723619677 AAODMYBWELLLDL-LBPRGKRZSA-N 438.414 1.197 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1730637429 FMJYXNVRBNLVPQ-RXVVDRJESA-N 426.477 1.245 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1740563529 TYAKOHPNZZOLPY-KFWWJZLASA-N 425.555 1.551 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1740611181 WHTQICVDDKBISO-KRWDZBQOSA-N 429.525 1.746 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740623179 POJIVZKQMXHWTN-GOSISDBHSA-N 431.566 1.324 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1740639488 CILMFRDKNAOFCV-GFCCVEGCSA-N 440.422 1.858 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740682856 LMVQGQVSIKDASH-LJQANCHMSA-N 442.545 1.327 30 10 IDEE C=CCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949922 XVZCQHKBESJJEE-AVRDEDQJSA-N 432.569 1.248 30 10 IDEE CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741389569 GKFJXJIQUBZUON-GHTZIAJQSA-N 429.546 1.849 30 10 IDEE Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742820904 VNLUOGWZYDTBGF-ZGTROFRASA-N 428.415 1.661 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1747730704 LQAQYHYWAZJUFT-FQEVSTJZSA-N 438.532 1.929 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748790773 MCLTXEAGIRZLOX-QZTJIDSGSA-N 447.561 1.225 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1748922536 BWRBGYWFCJRZQZ-QHCPKHFHSA-N 436.516 1.676 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc2c1OCO2 1748970376 BBQSEFMQZBVQDS-PXNSSMCTSA-N 428.489 1.865 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)NC(C)(C)C)CC1 1749009096 MTKAEPREEMAZPT-UHFFFAOYSA-N 425.537 1.544 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749676587 VWSFTWAXDLZULG-PNLZDCPESA-N 426.521 1.339 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1750064291 ZRPXOYKBQLFGSH-BHYGNILZSA-N 433.534 1.484 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1760116247 GLCNGVOJZPWXJQ-QFBILLFUSA-N 431.562 1.680 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1760173066 IVBVHQXXXCOPGB-IBGZPJMESA-N 435.575 1.133 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760186268 LNZPXXMUZWOIPW-GOSISDBHSA-N 431.562 1.333 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccsc1 1760242732 MQYGAJXUTBBDIA-NRFANRHFSA-N 440.529 1.981 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1760294623 BVUVTRNVYKELCD-SIKLNZKXSA-N 443.573 1.960 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)CC1 1760310803 NJCRRRCTWZYSCH-UHFFFAOYSA-N 441.374 1.468 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COCC)C1 1760316017 LFGNNWLQTGMMMX-TVFCKZIOSA-N 441.598 1.732 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1760480101 KXKONFMAIXNZNT-UHFFFAOYSA-N 431.504 1.642 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1761368086 KNKUTSJTFZTGEX-HGENEIFLSA-N 441.467 1.311 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1763200996 DPLCIYKNKNUCOE-FUHWJXTLSA-N 442.545 1.356 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1763950357 XBNWXQBEPPLPQN-KRWDZBQOSA-N 437.548 1.378 30 10 IDEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1766575013 JJYJDVLNSOKCJU-NXHRZFHOSA-N 432.550 1.668 30 10 IDEE COCCN(C)CCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771077826 DJFQHTOBAFHESX-UHFFFAOYSA-N 425.537 1.734 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cc(OCC(F)(F)F)ncn2)CC1 1852266955 SKMRQGBGGPERKT-UHFFFAOYSA-N 436.394 1.663 30 10 IDEE O=C([C@H]1CC=CC[C@H]1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1CCOCC1 1853026708 DLGSWGIAPSGKON-QWHCGFSZSA-N 437.440 1.298 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H](C)Oc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854646208 WHIFTIBQZNHBDA-JKSUJKDBSA-N 427.482 1.774 30 10 IDEE Cc1ccc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1F 1856603222 MDEQCKMRMVYATI-GOSISDBHSA-N 437.493 1.980 30 10 IDEE C=CCN(C[C@H](O)c1cccc(OC)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1857999609 QPNRFIYOHWQWNG-FQEVSTJZSA-N 444.509 1.843 30 10 IDEE COc1cc(C(=O)N[C@@H](CO)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc(OC)c1OC 1867338335 ZACQZUQZFNQEQL-SJORKVTESA-N 427.457 1.493 30 10 IDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)cc1 1870107261 AKQDENQHZAMZKC-UHFFFAOYSA-N 441.429 1.730 30 10 IDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619252 FGXOJOGIMQHNDC-UHFFFAOYSA-N 426.481 1.229 30 10 IDEE COCCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)cc(OC)c1O 1874470969 QNMOLJKHCVAOMP-CNHKJKLMSA-N 444.311 1.403 30 10 IDEE CCOc1ccccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(CC)CC2)CC1 1890557057 YAYYKUHWICBMOS-UHFFFAOYSA-N 449.617 1.896 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065457816 CBSPOKYDHJRELL-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243390170 PXEFPDLVJLYDQW-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC=CB1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2248479059 RYTJLRQAHBMRMZ-CQSZACIVSA-N 444.359 1.228 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248565686 PNEBLOIQYZQBGJ-OAHLLOKOSA-N 432.307 1.842 30 10 IDEE COC(=O)C1(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2255365751 CMRBASSUTLVTLY-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255646344 UYWDAIUPEUDLEN-OAQYLSRUSA-N 432.330 1.905 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2255694082 LMBFSLZHTIVNBL-OLZOCXBDSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](O)C1 2255707338 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CC1(C)OB(c2nccnc2C(=O)NCCc2nccn2Cc2ccccc2)OC1(C)C 2267874754 AVIOEFTVQQFETD-UHFFFAOYSA-N 433.321 1.993 30 10 IDEE CC1(C)OB(c2cc3c(s2)CCN(S(=O)(=O)C2CC4(C2)OCCO4)C3)OC1(C)C 2295339352 HXKJPQWHUAYAKC-UHFFFAOYSA-N 441.380 1.641 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C 2303326127 RYPGPNXBXFDZCN-RWMBFGLXSA-N 425.345 1.981 30 10 IDEE CCN(CC)C(=O)COc1ccc(C=NNC(=S)NCCCN2CCOCC2)cc1 2330421759 SDYJIHSPUATVNV-UHFFFAOYSA-N 435.594 1.454 30 10 IDEE CN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H](CNC(=O)C(F)(F)F)C1 2345725535 YJQFWMISCPSIGY-LBPRGKRZSA-N 446.254 1.319 30 10 IDEE COc1ccccc1-n1nncc1CN1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 15090 OBFCVAHJGOGLEK-UHFFFAOYSA-N 431.500 1.904 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(F)F)CC3)CC2)cc1 109521946 RNFOAFONXXNNNX-UHFFFAOYSA-N 426.489 1.368 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)c1 440457155 XIZOELNAJUSGCI-UHFFFAOYSA-N 437.521 1.978 30 10 IDEE CCOC1CC(CNC(=O)N2CCN(c3ncccc3C#N)CC2)(N2CCOCC2)C1 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POIAGKGKFKIPEM-UHFFFAOYSA-N 440.485 1.746 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3cnn(Cc4ccccc4)c3)CC2)c1 585726444 CPXXSSNUSFZFBI-UHFFFAOYSA-N 429.484 1.163 30 10 IDEE CCOc1cc(C(=O)N[C@H]2CCN[C@@H](C(=O)/C=C/C(=O)O)C2)cc(OCC)c1OCC 585830122 LQOCIIVMWITOOL-APPUJDCNSA-N 434.489 1.943 30 10 IDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)N2N1 588227056 KFFOODRUPGQLRY-GOSISDBHSA-N 437.437 1.386 30 10 IDEE COc1cc2nc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c(=O)n(C)c2cc1OC 590410705 VBEXCYFTSQWZCS-UHFFFAOYSA-N 447.495 1.780 30 10 IDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)s1 611341194 LKBMCDBRSVROTA-UHFFFAOYSA-N 431.536 1.719 30 10 IDEE Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)c1C 727415536 UOQBPPQPKYWVAI-UHFFFAOYSA-N 435.505 1.471 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3ccc(CC#N)cc3)ncnc1-2 729549824 RTPVKGIQHNLQMU-UHFFFAOYSA-N 429.282 1.799 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730709442 SHHHUUCINRUTKC-INIZCTEOSA-N 426.502 1.881 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 732648402 ULTHNCWOSZKZKK-MAUKXSAKSA-N 447.517 1.194 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)Cc3ccccc3)C2=O)cc1 733854462 WOFWDPVLKZRNSE-QGZVFWFLSA-N 426.454 1.409 30 10 IDEE COC(=O)c1c(Br)ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1C 753829344 QPBVJAVUHLNKOH-ZDUSSCGKSA-N 449.305 1.681 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)C1 758445914 QJNIVTGGONHSRK-OCCSQVGLSA-N 447.458 1.988 30 10 IDEE CC(=NNC(=S)NCCCN(C)C)c1cc2c(cc1Br)NC(=O)CO2 767377119 FYZFVDHGRQKDJO-UHFFFAOYSA-N 428.356 1.920 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(OC)nc3)c2=O)cn1 772320064 ZQONRRILBJEFGR-UHFFFAOYSA-N 433.493 1.472 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 780281392 UXLZQZAHQSJKTA-PTGBLXJZSA-N 436.534 1.537 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnc(N(C)C)nc1 780765051 VLBKQNCAEVXPMF-KRWDZBQOSA-N 444.561 1.799 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3c[nH]ccc3=NC(=O)OC(C)(C)C)CC2)c1C#N 788535087 AAZRYAKCKKSVSQ-UHFFFAOYSA-N 425.493 1.727 30 10 IDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)Cc1ccc(C#N)cc1F 790819699 KXGSGFOPFKIBRB-UHFFFAOYSA-N 446.504 1.934 30 10 IDEE COC(=O)c1c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)sc2c1CC[C@@H](C)C2 798746051 YBNLUKGVYLDEOZ-GHMZBOCLSA-N 431.474 1.866 30 10 IDEE C#CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 798804615 FBKBTWQURPIQCW-UHFFFAOYSA-N 426.292 1.069 30 10 IDEE COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802494282 ACEGPHSRPJLHOJ-IBGZPJMESA-N 437.552 1.275 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 809894004 WUNQLPYLFPVOTP-SJORKVTESA-N 446.552 1.974 30 10 IDEE Cc1ccc(I)c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c1 813982333 IGSYIFHPVXRNII-UHFFFAOYSA-N 427.223 1.985 30 10 IDEE Cn1ncc(CCCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)n1 814707748 VIVSSRDFSBQRKA-SFHVURJKSA-N 437.529 1.920 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2CCOC[C@H]2C1 1153915078 AOKYUBTXWPAOCL-UYAOXDASSA-N 426.517 1.936 30 10 IDEE Cc1ccc(-c2nnc(S)n2CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1178756660 CMDIIVKKXHBDQL-KXBFYZLASA-N 431.543 1.329 30 10 IDEE Cc1cc(S(=O)(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)ccc1C#N 1193257212 BTLYCJRQHFJDDY-UHFFFAOYSA-N 433.555 1.576 30 10 IDEE Cc1cccc(Cc2cnc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)s2)c1 1198326550 GTDHSONBGZAINY-OXJNMPFZSA-N 430.555 1.851 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 1208375190 BUOXVJDQLLFPNN-UHFFFAOYSA-N 435.571 1.855 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)CC1 1222048124 WOTMVCVWPAJIIM-RHSMWYFYSA-N 428.942 1.211 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1286382448 JFSWBMHZHDSLMU-UWJYYQICSA-N 438.594 1.993 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286389356 INKNYWUEMAXINZ-DLBZAZTESA-N 430.534 1.321 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1286401761 URYZHQUTFCQHPJ-UHFFFAOYSA-N 441.561 1.098 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccn(CC)c2=O)CC1 1286475925 LLGJIRTUUKZCQY-UHFFFAOYSA-N 432.528 1.939 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286509206 NTDCURXUDQEQPK-JKSUJKDBSA-N 426.608 1.798 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1286711476 OJNVEVDVTBVHLO-UHFFFAOYSA-N 433.520 1.865 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc2O1 1286727732 YLLFHCMSGMWOAJ-MAUKXSAKSA-N 449.533 1.073 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@]2(CCOC2)C1 1286782037 IPMULBJWMBZTNU-HXUWFJFHSA-N 428.449 1.151 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1286785278 IESOLTULQJAINR-MRXNPFEDSA-N 440.577 1.926 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286824153 VLZGVAYMSQVAPB-GOSISDBHSA-N 435.642 1.552 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@H]1C 1286828905 AHRUGPRGSWYYTB-CQSZACIVSA-N 432.550 1.982 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1293227489 GZDLQRCYWCOJLF-KRWDZBQOSA-N 442.545 1.356 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1296299965 UZXVMOWPPUIGFD-KRWDZBQOSA-N 428.489 1.542 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1299577146 REONOVVOYFBVLG-QGZVFWFLSA-N 434.504 1.880 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)c1 1299951391 HIVAUNKQCGSGCO-UZLBHIALSA-N 442.520 1.412 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300888595 LBGRFLSKJZWASB-HBFSDRIKSA-N 431.562 1.868 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301197465 UIERSWRVYZMALL-IRXDYDNUSA-N 437.570 1.265 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1301295859 BAWUVLUKWDGXOD-MRXNPFEDSA-N 427.571 1.440 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1301297405 PUJFRFAVKGRBSX-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1301535046 HGQPMTLMYOVCQP-OALUTQOASA-N 434.585 1.554 30 10 IDEE CC(C)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1301952073 GHSKUQUVEFPHPP-IXDOHACOSA-N 425.603 1.605 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCc2ccco2)CCO1 1303001496 BGAUCXGJYARYAU-OAHLLOKOSA-N 427.852 1.632 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)cs1 1304666423 PHRZMHLAEOPPRZ-QGZVFWFLSA-N 441.558 1.404 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)O2)[C@@H]1C 1312627651 WUOUKYIHFVEQMP-NCRVWVENSA-N 426.517 1.931 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccs1 1316209602 LFNAVMGOMCQKRI-LSDHHAIUSA-N 434.522 1.222 30 10 IDEE Cc1cc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)NCCN2CCOCC2)cc1 1322710900 KHJMGKCQBJURDB-UHFFFAOYSA-O 442.565 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC 1358877922 MSTLTAMYOKUPBS-JTQLQIEISA-N 432.369 1.776 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1358960724 KMLZREVIPICNCD-JENIJYKNSA-N 429.546 1.881 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccn(Cc2ccccc2)n1 1358981552 OKRUIPANHORFNU-UHFFFAOYSA-N 427.512 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[S@](=O)C(C)(C)C)CC1 1359043864 MFKQTBMDGSOIRR-HKBQPEDESA-N 442.589 1.853 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1359099460 OBCIFVKUHWSUBU-NSHGMRRFSA-N 432.569 1.021 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359136902 YOSPJVOAPUVERT-XLIONFOSSA-N 442.582 1.535 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359230128 HFABSOCZEYHAQX-XWSJACJDSA-N 433.553 1.557 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1359258927 HKNGLNLCZSBQSL-QGZVFWFLSA-N 427.534 1.550 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359303102 DKOUUZZUFGNMPF-JPYJTQIMSA-N 441.532 1.586 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnc(C(C)C)nc1 1359304322 VFHVTEGTBFXJRB-UHFFFAOYSA-N 437.552 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCS[C@@H](C)[C@H]1C 1359334956 VWGLHXSYWOOAAE-CABCVRRESA-N 427.596 1.332 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1359396655 HMONRBGMQZUYBP-GOSISDBHSA-N 437.548 1.882 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(c2cc(C#N)cc(C)n2)C2CC2)c1 1437529869 ZHDBKVALLHQUTG-UHFFFAOYSA-N 443.529 1.650 30 10 IDEE COc1cc(CNC(=O)Cn2nc(Br)c(Br)n2)ccc1C#N 1449085258 RZPIEVFRKPUTKR-UHFFFAOYSA-N 429.072 2.000 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)CNC(=O)N2C 1452023003 DVCJOGDSAZVLNQ-INIZCTEOSA-N 447.561 1.300 30 10 IDEE C#CC1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CC1 1453840491 OQMKPVPFWGAORO-QGZVFWFLSA-N 447.557 1.057 30 10 IDEE N#CCC(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1460123525 KLOJFRZFCBLTPQ-KRWDZBQOSA-N 438.532 1.414 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)cc21 1467381314 HBVJDOAULNEPGL-FXUPRZHBSA-N 431.518 1.555 30 10 IDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1473741700 LNHLJFGELANSDY-LJQANCHMSA-N 438.532 1.593 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1507536292 BJAHARUPFKRHOV-RZQQEMMASA-N 439.582 1.010 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@]2(C)CN(C)C2=O)c1 1507549714 MCCJJVJSVLZJFN-XMMPIXPASA-N 443.511 1.875 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1507572109 YBLXCORVGQBVSF-UHFFFAOYSA-N 429.546 1.967 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1508008441 ONKJTPLGTARIFO-OAHLLOKOSA-N 437.591 1.961 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1508008984 SXICJNYJTBLSFV-QGZVFWFLSA-N 435.525 1.996 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1508080090 KCKXIBANCBBWGT-LJQANCHMSA-N 437.504 1.265 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1508080422 OGMOXQJALLWNSL-UHFFFAOYSA-N 432.492 1.198 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508095631 YTFKZQMWNHKHJN-QHCPKHFHSA-N 438.532 1.581 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1508415559 BZULJWMQMIVYMZ-AWEZNQCLSA-N 429.506 1.745 30 10 IDEE C[C@H](N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1)C(F)(F)F 1510142508 IOIATBGUSZVBSJ-SWLSCSKDSA-N 437.426 1.815 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1515095083 FCIMQBIIEQAZLU-HNNXBMFYSA-N 449.519 1.750 30 10 IDEE C#CCN(c1nnc(C)n1CCCc1ccnc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1539205726 JTMAJCSRHSMWPV-SFHVURJKSA-N 430.578 1.934 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539218971 ARUJFZVONXTCME-IEBWSBKVSA-N 429.546 1.355 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539220333 ITKOSDRIBKPIFE-GUDVDZBRSA-N 435.594 1.141 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1539370344 VRDSGUJDNVFNJG-SJORKVTESA-N 447.536 1.123 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(=O)(=O)NC)CC1 1539431390 UPIXYPLJAISJRT-LJQANCHMSA-N 430.578 1.124 30 10 IDEE C#CCSCCn1c(N(CCCOC)[C@H]2CCS(=O)(=O)C2)nnc1C(C)(C)C 1539531258 TZIXESCKXSYKMJ-INIZCTEOSA-N 428.624 1.972 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](COC)C1 1540907142 MMJXKSXYXLKQDD-GOSISDBHSA-N 436.582 1.603 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N(C)C 1554162446 AQKAINJNKHUMQN-UHFFFAOYSA-N 428.522 1.078 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1554283005 AZRHWPZOURPNOP-MUUNZHRXSA-N 435.575 1.599 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)C[C@H]1O 1554545282 KYMSDQKBNVFASB-RTBURBONSA-N 427.505 1.992 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1555794155 JILKQYWRJPHGFU-CVEARBPZSA-N 432.506 1.146 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2n1CCN(C)C2=O 1558348285 MEACJXZIVJJEHZ-LBPRGKRZSA-N 426.905 1.358 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)nn1 1561675485 NPPZUINYBOSRKV-UHFFFAOYSA-N 440.323 1.980 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1CCS(=O)(=O)CC1 1561922735 VXVRUECJKATRRA-UHFFFAOYSA-N 434.580 1.228 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)CC1 1563557238 UMYJDTKLNAHKBO-HXUWFJFHSA-N 430.505 1.710 30 10 IDEE C#CC[C@H](CO)NC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1564648591 KUAUCDHRJZOUDG-SJORKVTESA-N 441.313 1.939 30 10 IDEE C#CCN(C(=O)c1cnn(C[C@H](O)CO)c1)[C@@H]1CCOc2ccc(Br)cc21 1565764034 AEJUFZYDLZPAOF-DOTOQJQBSA-N 434.290 1.598 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1587562817 UDBSTRVZSPCGTR-KBPBESRZSA-N 428.559 1.213 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1587861633 OWVCSTSDXAOECA-AEFFLSMTSA-N 432.550 1.388 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1587921952 NKGOBORIWIKJBO-DEOSSOPVSA-N 439.560 1.880 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588041113 USVIRZILXDLBDS-GOSISDBHSA-N 440.529 1.362 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1588083780 JUXLKGJURVPOFK-OTWHNJEPSA-N 434.610 1.329 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1588245585 JYZQZGKJPBALBG-UHFFFAOYSA-N 448.527 1.389 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589394411 FJJUZXNIRDZJRJ-VXGBXAGGSA-N 434.360 1.397 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1594803076 NCYCZHZWBPCKIP-UHFFFAOYSA-N 429.525 1.440 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1595133170 CPWNFOYBLWCILR-QFIPXVFZSA-N 429.496 1.884 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595536926 JCRYCMRIPLGECY-RHSMWYFYSA-N 437.504 1.757 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595544020 FCCLXXCREVPRJK-WBVHZDCISA-N 444.540 1.049 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)CCOC1 1610894599 KHFQMGLRGATNCR-KNQAVFIVSA-N 432.569 1.658 30 10 IDEE Cc1nc(=NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)n(-c2ccc(C#N)cc2)[nH]1 1610924895 HOVFZRZCNYLWCN-RYRKJORJSA-N 425.518 1.534 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1617697398 HUESLTPTPGAPIE-UHFFFAOYSA-N 439.520 1.474 30 10 IDEE Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CCOCC(F)F)CC2 1618488574 OJRXQJTXFQILND-UHFFFAOYSA-N 441.442 1.755 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COc2ccccc2O1 1620024729 KLEFOYRNOOPRMH-BRWVUGGUSA-N 429.477 1.571 30 10 IDEE C=CCCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1621769798 WNKGOMBOPBGNID-UHFFFAOYSA-N 437.543 1.630 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)ccc1F 1626580398 MVVBCBXBURLBCG-CGTJXYLNSA-N 442.509 1.325 30 10 IDEE C#CCC1(O)CCN(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)CC1 1628160592 APERSCPDOFORJK-UHFFFAOYSA-N 446.552 1.734 30 10 IDEE CC(C)OCCOC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1629776735 QQIWEODLCMKFPF-INIZCTEOSA-N 437.562 1.936 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 1629846043 KZWGXXSVEJJHRG-UHFFFAOYSA-N 429.517 1.873 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(C#N)nc3)C2)CC1 1630759616 AAGZBGGQAFEXGK-SFHVURJKSA-N 441.532 1.814 30 10 IDEE C#CC[C@]1(C(=O)N[C@H]2CCN(c3nc(C)cc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1634684165 UAXNZACMRZOQRT-KSFYIVLOSA-N 429.521 1.979 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 1636475682 SBBGBIRTFCUDKH-UHFFFAOYSA-N 441.435 1.117 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1640376060 KEFKQPJDLBVXPW-ARFHVFGLSA-N 430.571 1.798 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCC#C[C@@H]2CCCCO2)cc1 1640380147 CAFCKYQVMFWIGK-SVFBPWRDSA-N 434.558 1.623 30 10 IDEE COc1ccc(C(=O)N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)c(OC)c1 1641571329 CBFQKSPBUWJGAO-SFHVURJKSA-N 425.485 1.773 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1642903558 SOFKHRXWWLRUSN-CQSZACIVSA-N 448.545 1.947 30 10 IDEE N#Cc1ccc(C2(NCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CCOCC2)cc1 1644129057 KXNCWQFJYOKSQY-UHFFFAOYSA-N 440.525 1.390 30 10 IDEE Cn1cc(C(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)c(=O)n(C)c1=O 1644726547 HSMSSOPWUYYXPK-UHFFFAOYSA-N 435.289 1.789 30 10 IDEE CSCC[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)NC(=O)OC(C)(C)C 1648028803 OLBAOHYTHDVGJT-ZDUSSCGKSA-N 437.522 1.240 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c(C#N)cn1CC 1671036585 DFPWWQZECWUAAE-ZDUSSCGKSA-N 425.511 1.349 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C[C@H]1CS(=O)(=O)C2 1681070767 ANKYJKDNNZSTMU-LXZKKBNFSA-N 439.335 1.875 30 10 IDEE COCC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1682545767 GMNKRNSYKBFNLC-HNNXBMFYSA-N 439.394 1.916 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689978469 WEECKQSIAQGPON-MRXNPFEDSA-N 428.518 1.352 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689986659 UQXOSTILQZYZLV-KKSFZXQISA-N 432.521 1.872 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@H](C)C1 1690056570 XZRXOKGTEDZRLH-FSSWDIPSSA-N 443.592 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCCC2)CC1 1690154053 INCIPFBEEAHKAU-HXUWFJFHSA-N 428.581 1.971 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1692346899 ROSYBBDBPGANDT-PXNSSMCTSA-N 439.582 1.752 30 10 IDEE Cc1ncsc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1692915347 DPNVDZXTTWPVAW-LRDDRELGSA-N 427.531 1.338 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)COC)CCOC1 1696056310 HTACQEKPGVGKHG-NYHFZMIOSA-N 442.520 1.748 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1697666538 BNOCBGVSOSHYNR-PKOBYXMFSA-N 444.561 1.713 30 10 IDEE COC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1697765507 NVLQRECYYJTPRL-ROUUACIJSA-N 431.566 1.472 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1697780038 OJYLLDRJPOZHCZ-DOTOQJQBSA-N 445.474 1.551 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1697926847 UDKCUQSNAJRAKH-FCHUYYIVSA-N 427.505 1.600 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1705494529 BIYCGHRGIHGALH-GVDBMIGSSA-N 437.541 1.706 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705567099 UCUSXTLKZWNVBF-MSOLQXFVSA-N 443.577 1.236 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1705568336 LHSFVQKXOLJRNH-MRXNPFEDSA-N 437.541 1.310 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1705568367 MFJLYONQZBJTRM-IBGZPJMESA-N 446.577 1.359 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC(F)(F)F)nc1 1705571978 MYFGEERLXQEUMT-UHFFFAOYSA-N 434.422 1.874 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(O)CC1 1705624642 JLXGTXLKDDWVSW-UHFFFAOYSA-N 441.532 1.607 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705663685 ODNYJGKEXOSTQM-HXUWFJFHSA-N 427.574 1.771 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705665220 NJYZOKUQDBLEHK-KNQAVFIVSA-N 444.605 1.862 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705886992 JXGFPQIMAMJRDI-STQMWFEESA-N 425.515 1.159 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1705893798 GVBMPKUDIGQSNQ-IBGZPJMESA-N 438.532 1.864 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1706218209 ABHSSWVAIWBJIV-SFHVURJKSA-N 433.520 1.735 30 10 IDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 1710188499 HMBAKEGAXYJNPH-MRXNPFEDSA-N 434.504 1.660 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CCC1 1711045512 DIOKWLZTKBAFPB-QGZVFWFLSA-N 444.561 1.999 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C#N)o1 1711380269 LYDIYHOZAUPBDG-UHFFFAOYSA-N 425.449 1.481 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1722369305 XLQIIIZKSCYULQ-QGZVFWFLSA-N 445.545 1.504 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1722391283 ZTQYSMVSBDHRLC-HNNXBMFYSA-N 435.500 1.872 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1722405508 MCISLMDCXFPJKC-QHCPKHFHSA-N 440.548 1.670 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722428969 DMKWZJXGQIXGLK-UYAOXDASSA-N 428.581 1.933 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722454631 FMMQFAYBHKGWKU-UHFFFAOYSA-N 427.578 1.384 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1COCCO1 1727014725 ZFFCXOAEIYVQRJ-BRWVUGGUSA-N 426.525 1.584 30 10 IDEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727625199 HLFWIRIZAUZHRT-XKXPVHLMSA-N 447.499 1.816 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1728260872 LNZRQTDDUJRMMA-UHFFFAOYSA-N 445.531 1.720 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1729201851 AEBQEERLLWTKJA-UHFFFAOYSA-N 445.545 1.637 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1729409024 UWBYLQUTHOEBOR-GOSISDBHSA-N 433.472 1.647 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)C[C@H]1O 1729783052 PMOLIDXATIKRMM-IAGOWNOFSA-N 438.513 1.876 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCN2CC=CCC2)c1 1731179751 XJWSMYZOGSQHKK-UHFFFAOYSA-N 435.532 1.549 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CCOC2)CC1 1740698745 UXTOJXWRTUVRKA-HXUWFJFHSA-N 446.349 1.614 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1740887259 FTIWAKZRSSTBBS-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1740924072 FSJAHSUKRIAJLP-LJQANCHMSA-N 443.596 1.491 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740944186 YGINTKNPNHJNAC-FQEVSTJZSA-N 446.533 1.412 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1 1740959763 DPYBDUFLKLJIAV-OAHLLOKOSA-N 433.509 1.184 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740963603 PWYKUOCANQALBO-ZWKOTPCHSA-N 438.532 1.491 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1741003262 QIHMRMOCBQEKSU-OAGGEKHMSA-N 441.623 1.765 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2(O)CCO[C@H]2C)c1 1748691880 NMBRBLJIIZUMNU-BXKMTCNYSA-N 446.511 1.936 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748819982 WGDQSHPRKPXITB-AZUAARDMSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1OC 1748825039 NXZJEZSGJLINPE-UHFFFAOYSA-N 437.500 1.661 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCn1cc(CO)nn1 1748945382 RWOBSDNJRXCOAM-SFHVURJKSA-N 439.495 1.735 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccs2)CC1 1748991547 ZTSPJMHCKUKXAK-QGZVFWFLSA-N 428.562 1.419 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1)C1CC1 1749519531 MCIVALUQXXWYKT-GOSISDBHSA-N 432.550 1.404 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H](C)O1 1749576996 JORXSOIZFVDQAK-PWIZWCRZSA-N 443.504 1.384 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749657710 BJGBXCHZNMGOJB-LSDHHAIUSA-N 430.534 1.377 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1749669537 LSMILEDDMVBRBW-DLBZAZTESA-N 428.512 1.938 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1749670650 UODVUOSBCLUAOY-IAGOWNOFSA-N 446.458 1.388 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1749679794 BDDRZQQKSULFTD-QGZVFWFLSA-N 444.511 1.651 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1750196786 FMBQDADQKOTQKE-FQEVSTJZSA-N 447.586 1.698 30 10 IDEE CC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1751291714 DUJIWOGROCMMSE-NRFANRHFSA-N 429.546 1.993 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1760116593 INXYGSFSVWBAQP-HOTGVXAUSA-N 444.540 1.704 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2(C)CN(C)C2=O)c1 1760126412 XXAHPGXUBIAYIJ-XMMPIXPASA-N 443.511 1.875 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760137378 RUMMIDOQWSOTIW-HNNXBMFYSA-N 428.566 1.773 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760151826 PUJMKXRDMNBVKM-GOSISDBHSA-N 438.580 1.661 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(OC)CCOC2)n1 1760253280 XTUZUIKEDFGSSS-QFIPXVFZSA-N 430.553 1.864 30 10 IDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760359492 PTMUPTRKVYUWPU-UHFFFAOYSA-N 446.596 1.777 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CCC)C1 1760548336 DMOSTLADKZWZLQ-MRXNPFEDSA-N 425.555 1.120 30 10 IDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCCS1(=O)=O 1763095334 AQXDRWJYYCRPAO-UHFFFAOYSA-N 447.540 1.213 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNS(=O)(=O)CC 1763654416 HHULLXOWBIPNAK-CQSZACIVSA-N 447.565 1.656 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO)[C@H]1CCOC1 1766993541 AAQQNLPEYJVGNK-UXHICEINSA-N 440.548 1.801 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1769922779 VVZKFTVDYOJNQS-ROUUACIJSA-N 440.504 1.606 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CCO1 1770748901 SXNWKKZOEOJEJY-QZTJIDSGSA-N 447.586 1.842 30 10 IDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1771353028 UYXRHFQCGFIPQP-CQSZACIVSA-N 436.925 1.547 30 10 IDEE N#Cc1cc2cc(I)cnc2nc1NC(=O)[C@H]1CCn2cnnc2C1 1852583738 IEAVEIKESBLMNU-VIFPVBQESA-N 445.224 1.899 30 10 IDEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862595048 YJEIFIVGNDTOID-IBGZPJMESA-N 426.425 1.821 30 10 IDEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1cccc(N(C)C)c1)N1C(=O)c2ccccc2C1=O 1870142903 MZJPHTAERRCXLI-CYBMUJFWSA-N 429.440 1.828 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1Cc1cccnc1 1870521155 HEOVMQPRNHVLKC-UHFFFAOYSA-N 426.517 1.607 30 10 IDEE CCCCCCCCNC(=O)c1cc2c(N(CCO)CCO)ncnc2n1CCOC 1873589396 IRLAMAKXDVMVCE-UHFFFAOYSA-N 435.569 1.959 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)CC1 1889437309 PKPXQCXQLNFVNQ-UHFFFAOYSA-N 440.588 1.395 30 10 IDEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](N)C#CC1(S(C)(=O)=O)CC1 1902431220 NOGJLHKEEQCXLN-IBGZPJMESA-N 435.590 1.921 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1993269238 CXSQVLCWQVJSBP-KGLIPLIRSA-N 426.514 1.622 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2009980224 SIKAOLWBVFORTI-SPLOXXLWSA-N 439.509 1.874 30 10 IDEE C#CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(Br)c1=O 2172898181 BPNSMXSEMLIKPN-STQMWFEESA-N 441.326 1.669 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212241024 VWPZXZJIROZYCX-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE C=CCCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247952142 NHVBKUBUJCCALW-UHFFFAOYSA-N 432.355 1.881 30 10 IDEE C=C(CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2247962578 PWQLOPIYJJWURD-GJZGRUSLSA-N 446.375 1.321 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H](C(=O)O)C1 2254791521 HBBKSXKWXDAHPO-HNNXBMFYSA-N 433.314 1.891 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626538 HGHKQSWFXHVNCZ-MNOVXSKESA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)NC1CC2(C1)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255631624 BPKJCBCLJBNLHP-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255827328 IRXYUNOMPXQEMD-UHFFFAOYSA-N 434.346 1.920 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]1NC(=O)C(F)(F)F 2255833951 CDCLKLQKRASKNU-PWSUYJOCSA-N 447.288 1.971 30 10 IDEE C[C@@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255841990 LLUMYHNRNIVLDQ-ZYHUDNBSSA-N 447.288 1.971 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255873397 KVXDSNJTXMXEKQ-CABCVRRESA-N 435.330 1.346 30 10 IDEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139421 GFSXSPWZSPZUHO-RYUDHWBXSA-N 444.263 1.628 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267215349 CPSKURJVNJORTF-HNNXBMFYSA-N 449.357 1.729 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267594818 AHQRTYMLIYYXGZ-UONOGXRCSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873005 MRFILUVOEMBHMJ-CABCVRRESA-N 444.341 2.000 30 10 IDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NS(C)(=O)=O)c(Cl)c2)OC1(C)C 2269037910 UOUSTPIOINDDDH-UHFFFAOYSA-N 430.140 1.531 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2334262876 VDYBUNFTFYXEER-IIAWOOMASA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2334314425 YPGLXCYSAGLJTI-KFWWJZLASA-N 444.341 1.761 30 10 IDEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(C(=O)OC)ccc21 13789645 RWXMZVZPYSZQCL-FMQUCBEESA-N 435.527 1.222 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)ccc3O)n2)o1 59878746 UGQUYGQNSZITLG-FBCYGCLPSA-N 432.466 1.319 30 10 IDEE N#Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)ccc1[N+](=O)[O-] 302738543 QCPVUVZAYNKALG-UHFFFAOYSA-N 427.364 1.790 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 494349037 LXVFWOZCXFWYEI-LJQANCHMSA-N 425.407 1.965 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(F)cc1 508498440 RTUYGJLYEPWETB-QGZVFWFLSA-N 439.513 1.451 30 10 IDEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 508820451 RJXHTFZYSQSHEU-HOTGVXAUSA-N 429.498 1.815 30 10 IDEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508916598 HBRVBVHZKGBCBV-UHFFFAOYSA-N 447.425 1.485 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C 532221561 TUXKVNGOGUQKCX-DNVCBOLYSA-N 428.514 1.041 30 10 IDEE C=CCNC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 538593766 IGKGMDNITJLFOX-AWEZNQCLSA-N 430.324 1.021 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)N3CCC[C@@H](C(=O)O)C3)CC2)c(F)c1 548549541 IUBYJXPEUBOAME-CYBMUJFWSA-N 442.444 1.059 30 10 IDEE CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 549458723 BUXPYFLBNZZFPT-SFHVURJKSA-N 432.550 1.775 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)CC1 567640771 HTBNSYAZFQDOCE-QGZVFWFLSA-N 443.548 1.034 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)/C=C/c2ccc(F)cc2)C1 585824356 PNIJJMZWOJMLCH-FXJRYOPJSA-N 435.455 1.941 30 10 IDEE COC(=O)c1ccc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)[C@@H](C)C2)cc1 586860918 TYPQHRXKQXUDCE-HNNXBMFYSA-N 438.459 1.837 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c(F)c1 586862751 BEZLZEWMJAGRJI-UHFFFAOYSA-N 426.423 1.366 30 10 IDEE C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)NC(=O)C1CCCC1 608901900 CPCGGZBUFFCOLY-MRXNPFEDSA-N 432.546 1.476 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Cc1ccc(OCC#N)cc1 732059512 LYJIYKNWJJZVQU-UHFFFAOYSA-N 430.505 1.669 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cn1 735069575 WWBTUMJRUCRUAG-KRWDZBQOSA-N 426.542 1.568 30 10 IDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1=O 749817697 BQMJMUWJTHEAKP-FQEVSTJZSA-N 444.444 1.507 30 10 IDEE CCC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 770332370 OHUGFTBPZXKOCF-LBPRGKRZSA-N 430.324 1.892 30 10 IDEE C=C(COC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C(=O)OCC 771409702 CXVWYHAPYDHGCQ-SFHVURJKSA-N 439.262 1.879 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)n1 788863954 KHFBBKJCZQEWMX-NRFANRHFSA-N 438.576 1.885 30 10 IDEE C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 790714380 JHXJOWKINNNVJQ-IRXDYDNUSA-N 431.562 1.892 30 10 IDEE C=CC[C@@]1(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CCCN1C(=O)OC(C)(C)C 791716223 BTVXSAXICFZMBG-NRFANRHFSA-N 447.492 1.349 30 10 IDEE C[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 795969204 IGVUHXAMQLNRAK-AWEZNQCLSA-N 444.469 1.158 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)ccc1F 802243946 JPGAIDYXKXCKMW-CRAIPNDOSA-N 426.510 1.588 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)n1 802368241 RTJXUJWHWMMBLT-FQEVSTJZSA-N 425.489 1.876 30 10 IDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 805909636 FLYGHPMAIPISOB-OAHLLOKOSA-N 430.461 1.388 30 10 IDEE C=CCC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 814320635 ZCBZVXKRQVETCD-UHFFFAOYSA-N 428.576 1.834 30 10 IDEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)s1 1084186185 SJMQDECNLBNNDX-UHFFFAOYSA-N 436.552 1.845 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cc(C#N)ccc2F)C1 1133630215 HTDFYXYGECRXNT-CQSZACIVSA-N 425.482 1.851 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(CS(N)(=O)=O)cc3)CC2=O)cc1Cl 1135962161 HYXDOFIPTZJQMK-CQSZACIVSA-N 432.889 1.992 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)C1 1136523154 KILFPZAVMYPXTO-MOPGFXCFSA-N 433.350 1.815 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN(S(C)(=O)=O)C2)c1 1141878533 ZLGYGZZWWFLYON-LVZFUZTISA-N 442.563 1.110 30 10 IDEE CC[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)N1CCOCC1 1148891759 FNXBVCFKDVBDRD-MRXNPFEDSA-N 435.322 1.511 30 10 IDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1152566214 USPFMPQYXCZDOI-FQEVSTJZSA-N 440.569 1.994 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)s1 1171270697 KBYWPHYILSZSNF-HIFRSBDPSA-N 430.548 1.229 30 10 IDEE COc1ccc(-c2nnc(S)n2CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1184394047 SAGMREPKSJQASC-IFXJQAMLSA-N 447.542 1.029 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1286395834 SNQACULEMSYEIL-BQJIDLTASA-N 438.594 1.423 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)Cc1ccccc1 1286398584 LETUYPZXWYTVMW-UHFFFAOYSA-N 427.530 1.104 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)N(CC)CC)CC1 1286474209 FHBHEOHMKFKULH-LJQANCHMSA-N 448.579 1.406 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CC=CCC2)CC1 1286474375 IJIHVXSPCVZNSZ-UHFFFAOYSA-N 436.560 1.979 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286683179 LEJQGQXUIAAUGX-JTDSTZFVSA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286780292 DLICGOHCSRMPOR-SFHVURJKSA-N 426.521 1.166 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286786763 ZFQLDALKIAWOIA-UHFFFAOYSA-N 437.548 1.609 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1286787336 RWJMMUWKAAJAOL-IBGZPJMESA-N 433.516 1.875 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286787985 NYXLDHQSFUTQOT-IEBWSBKVSA-N 446.596 1.851 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286791361 RYCVTOYLGBWJBK-NYHFZMIOSA-N 447.486 1.834 30 10 IDEE CC(C)N1C(=O)C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1c1ccc(Cl)c(F)c1 1295563147 RPEBPFBWSSTKAX-QAPCUYQASA-N 447.854 1.480 30 10 IDEE CN(C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1298089440 XCJIPGDNXHGHJB-CQSZACIVSA-N 438.330 1.343 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCSCC1 1300432311 GKBHOOBKJFAMIS-UHFFFAOYSA-N 432.981 1.980 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1300465823 QSZCTFNSUQMJRA-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1300479914 VCNGPLVENPTOMX-OAHLLOKOSA-N 439.607 1.282 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1300641086 AMSBAEOXRBUXMJ-NRFANRHFSA-N 434.537 1.904 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H](C)C1 1300655195 RLVGCPCLWFHOSV-LJQANCHMSA-N 449.563 1.739 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1300685163 IFLBZFWEBVFVGA-ZJSXRUAMSA-N 444.624 1.950 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1300725810 DQURMLFYHLUDTI-QGZVFWFLSA-N 438.523 1.162 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300897780 VELJRBJCNDEWNP-BQFCYCMXSA-N 432.525 1.269 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1301045413 UINMRSWEGQGFCL-MAUKXSAKSA-N 445.973 1.370 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(C)(=O)=O)C1 1301543539 LYENLCYLFTXJJU-CYBMUJFWSA-N 444.355 1.862 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCS2(=O)=O)C1 1301566652 PCWHIVUZBCIHBM-SFHVURJKSA-N 432.550 1.081 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C(C)C)N1CCOCC1 1303361469 BLFZIBIHHYKJPO-LJQANCHMSA-N 431.585 1.903 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(CC(=O)NC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305439670 PCCCNPYGZRLKLD-APFMSCDFSA-N 443.552 1.671 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1 1310004744 VZCZABVIODQVIL-UHFFFAOYSA-N 447.542 1.618 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1315121477 RMLYJDKPRAGKQS-KRWDZBQOSA-N 437.504 1.620 30 10 IDEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCOCCS(C)(=O)=O 1315599496 RZZBUWLJUVJMQO-UHFFFAOYSA-N 433.534 1.755 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1337677241 GAJCNRCXHIKZKZ-PKOBYXMFSA-N 449.573 1.874 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1358957000 OEHYQDZOJILUOY-CVEARBPZSA-N 448.593 1.771 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1358965148 OVIFEMWAJGRJNG-IBGZPJMESA-N 439.545 1.096 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1358979806 YGVSCDDXLYPDDN-RBUKOAKNSA-N 449.577 1.033 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1359023258 FIRMECBDVMIZRC-LJQANCHMSA-N 444.580 1.350 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2COCCO2)CC1 1359031723 NLLJPJVOPSSYQW-SFHVURJKSA-N 446.349 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1359041172 OPRUPOKHDHLBNV-SFHVURJKSA-N 437.552 1.053 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1359048185 ICEXOQKCMWFNOE-UHFFFAOYSA-N 440.577 1.306 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2)C1CC1 1359247027 QNTFRQBJZILKIL-GJZGRUSLSA-N 425.555 1.586 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359291628 XZUBYIMRIZYFFP-RXVVDRJESA-N 446.596 1.759 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359296289 DNMLJMNJTXZUFU-LJQANCHMSA-N 433.516 1.710 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359304501 ZJEMQOXMMTVYGS-KRWDZBQOSA-N 447.561 1.481 30 10 IDEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359343820 CFYJINKPCAUYAK-SFHVURJKSA-N 440.573 1.244 30 10 IDEE CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccn1 1359596201 DIQLQRHCYPQFAA-HOTGVXAUSA-N 430.534 1.282 30 10 IDEE Cn1ccnc1N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1445623164 BQQMWVIQVQUNCK-UHFFFAOYSA-N 429.322 1.839 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1450336761 FBBFBRKPPIJULO-KXKDPZRNSA-N 435.424 1.452 30 10 IDEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1463199872 RGBBXBNYMOJPSE-LJQANCHMSA-N 443.481 1.627 30 10 IDEE COc1cc(CNC(=O)NCc2c(I)cnn2C)ccc1C#N 1470081704 DJTKBEVAQSUQRE-UHFFFAOYSA-N 425.230 1.904 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1470401229 QEEKFMIZZOBRII-SCLBCKFNSA-N 433.511 1.011 30 10 IDEE C#CCN(C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCN(C)CC1 1470521868 FPHVPQMYDTYVHI-UHFFFAOYSA-N 425.577 1.623 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCSC)CCO1 1503783074 OIYSPFHLEYJSBC-GOSISDBHSA-N 444.561 1.823 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1507639594 ZVIROPRKSUFGNT-LJQANCHMSA-N 432.546 1.636 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1507667123 KZIXEULQDKEKNA-FQEVSTJZSA-N 438.576 1.727 30 10 IDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507691480 IIOWNIGSCTYMIP-HNNXBMFYSA-N 437.516 1.888 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507728836 AKKPXAHDLIKXHN-MRXNPFEDSA-N 449.527 1.337 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@@H]2C1 1507747396 HDTVZNXPOUSLAY-SFHVURJKSA-N 428.518 1.741 30 10 IDEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507756078 YCAWBOOINARKBO-XLIONFOSSA-N 430.622 1.901 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 1508013992 UFXODMKJKQNZOK-UHFFFAOYSA-N 445.545 1.930 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508072712 ROKBXIORURMNIQ-CABCVRRESA-N 449.556 1.068 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508084276 LARXGHGRIOQDKZ-GOSISDBHSA-N 425.537 1.307 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508814179 HOMRWCHNIWITJC-LJQANCHMSA-N 435.532 1.790 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(C)CN(C)C1=O 1513021644 YRXQZZROVINSDK-QRQCRPRQSA-N 439.568 1.510 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1515392354 BDFXWZIFTSNALU-NQIIRXRSSA-N 447.561 1.618 30 10 IDEE C[C@H](Sc1nc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1)C(N)=O 1521758507 AHIROWXFDGANAN-BLLLJJGKSA-N 443.554 1.835 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnn(Cc4ccccc4)c3Br)C[C@H]1CS(=O)(=O)C2 1538539417 GTNRCVSGINWDNI-KSSFIOAISA-N 449.330 1.704 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1539116948 OJNRPTOBTQZTTB-OAQYLSRUSA-N 435.576 1.901 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1539257667 VPIVLKRGCDSLBK-QFIPXVFZSA-N 437.525 1.059 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1539279046 RQAWMJMRVHMUAD-UHFFFAOYSA-N 446.504 1.009 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1539305297 WJMJPNDOPBRCTA-INIZCTEOSA-N 427.486 1.751 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1539400383 DRAJTTZSLIOOTM-NFBKMPQASA-N 447.580 1.663 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccco2)CC1 1539428646 VHIXFRVQVWIVSB-QFIPXVFZSA-N 435.488 1.181 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539633274 XVKPYHSQSQLKDX-WCIQWLHISA-N 433.553 1.495 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCSC2)CC1 1539889927 DUPDBSSCIFDSHX-IRXDYDNUSA-N 441.623 1.767 30 10 IDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1)C1CC1 1540107909 FTEFTUAFLJYOCE-HTAPYJJXSA-N 449.552 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540868292 ZHZFVUWOZIBSHX-UHFFFAOYSA-N 427.509 1.699 30 10 IDEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1540950687 GUKVPUVSAQEPBM-NRFANRHFSA-N 449.515 1.716 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541092905 ZHFGDDTXPGBBIF-LJQANCHMSA-N 438.536 1.639 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1541283644 GLGFLSIKMGCULH-RTBURBONSA-N 435.532 1.836 30 10 IDEE CC(C)OCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1541763969 RYNWQUOKZUKKHI-UHFFFAOYSA-N 438.536 1.419 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1 1559265784 BQKFVOUBLUYDGZ-UHFFFAOYSA-N 428.470 1.415 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOC(C)C 1587638215 CMXNXNYGEATODU-IAGOWNOFSA-N 427.571 1.274 30 10 IDEE C#CCN(c1nnc(CC)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1588060101 ZMCFRXXCOUFHLQ-MRXNPFEDSA-N 437.566 1.334 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1588082817 ADSKFAKBNNQGFQ-QGZVFWFLSA-N 443.573 1.948 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1595877973 FDBSCTAOMFIKLL-QGZVFWFLSA-N 434.610 1.492 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)n[nH]2)c1C 1610063541 FKHJGCLOYROFFZ-IBGZPJMESA-N 425.537 1.630 30 10 IDEE C[C@H]1CCS(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1615729975 LRCXBAZOXHOBGB-DQLYFJKKSA-N 425.551 1.809 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@H]1C[C@@H]1C 1620018245 BTVFIMRQYWDJNU-CUSZFKRNSA-N 426.525 1.960 30 10 IDEE CC(C)N1CCN(CCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 1624893312 VDXWXTZYJQCNNE-BSYVCWPDSA-N 435.594 1.854 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 1625384643 RHADHXPGBLXTMB-UHFFFAOYSA-N 439.394 1.534 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 1627831258 OPRULAUWSAXUKU-WNNBVUDTSA-N 428.551 1.596 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@](C)(c2ccc(F)cc2)C(F)(F)F)CC1 1627862587 PXFIUGAVIHYZBX-MRXNPFEDSA-N 436.431 1.398 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCCOC1 1629069124 PQYHVBIVBPLMDO-QFIPXVFZSA-N 429.521 1.923 30 10 IDEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1633904218 SWRYZWCITSXURF-MRXNPFEDSA-N 434.562 1.217 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)CC1 1636480534 RDGSLQBPXZFSTC-UHFFFAOYSA-N 449.479 1.866 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1641400503 LXXKUYKCPXJTIT-SJORKVTESA-N 442.472 1.332 30 10 IDEE Cn1c(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c(C#N)c(=O)n(C)c1=O 1643316164 FUUHEDGJCSPFCT-DLBZAZTESA-N 425.489 1.771 30 10 IDEE Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC#CCN1C(=O)c2ccccc2C1=O 1643574104 XOSRWRNHBQVGQU-CQSZACIVSA-N 444.538 1.184 30 10 IDEE C=C(Cl)C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1648780324 WXTSDDPGQPXSLN-JSGCOSHPSA-N 427.910 1.694 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cn3c(S)nnc3-c3ccc(Cl)cc3)C2)c(=O)nc1O 1651150267 YGHLIMOPCZZHHP-UHFFFAOYSA-N 443.876 1.105 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1654141361 CGEKFJXKILIFML-RKDXNWHRSA-N 427.317 1.902 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 1659512094 FZHOLJMEJCNDHX-KZNAEPCWSA-N 425.549 1.616 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)CC1 1678929415 BBCNGHFGJIOJMV-SFHVURJKSA-N 440.541 1.414 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689982021 GKEPBXPEOOFRIA-KRWDZBQOSA-N 432.546 1.741 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1689998809 XDNDGQKTAWWBDA-GOSISDBHSA-N 440.548 1.986 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1690032876 LETRLYPESMALPA-IAGOWNOFSA-N 427.530 1.527 30 10 IDEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690157612 KRULNTQTQLBWJB-MAUKXSAKSA-N 447.536 1.875 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1690526660 BHKSSJQOCWMRQM-SFHVURJKSA-N 435.550 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690665460 DTNZJZZWSQXGHS-KRWDZBQOSA-N 428.537 1.413 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccs2)CC1 1690672795 DGCZTCUQJGMKFF-UHFFFAOYSA-N 437.573 1.950 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1690697412 UYKTVZBQTWEBGP-IBGZPJMESA-N 428.585 1.486 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(C)COCCO1 1691871563 VGWJYXTZCWKAAO-HRAATJIYSA-N 426.525 1.584 30 10 IDEE Cc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c(C)c1 1693077152 AQOPHHVNRXTPQV-RBUKOAKNSA-N 429.546 1.769 30 10 IDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)OC 1694387512 HZMHQWQBXDFQDM-KRWDZBQOSA-N 437.504 1.762 30 10 IDEE CCN(C)C(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695498122 RHXNXUYKOIFACO-AWEZNQCLSA-N 443.508 1.015 30 10 IDEE Cn1cc([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C2)cn1 1696855450 KQIYSTQPRBMQHE-QGZVFWFLSA-N 425.518 1.589 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696922242 VXYNJYWKCGPICS-VUANCPLDSA-N 427.509 1.034 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CCO1 1696972272 DGYBPSKKTWLQAE-HXUWFJFHSA-N 447.499 1.432 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1698302773 RKOBDGXCPVDSMQ-QZTJIDSGSA-N 431.518 1.451 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCS(=O)(=O)C1 1705479729 KZHANADQNGAKQC-QVKFZJNVSA-N 440.529 1.343 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705517559 YCRJSYRZPFCOPH-AQNXPRMDSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1705563518 YYFNFDKKRCDIFX-HXUWFJFHSA-N 449.540 1.730 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705570683 SLLVAJQOWHWMHE-DYESRHJHSA-N 433.578 1.116 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1705599244 WSMXQYWGYNYVAR-HXUWFJFHSA-N 431.606 1.765 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705623715 BFPSNRVOTNDNED-NRFANRHFSA-N 432.546 1.143 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCN2CCCC)CC1 1705642509 WGUNUKMLNJLRCZ-OAQYLSRUSA-N 441.624 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCCCC2)CC1 1705648103 NUCPALYPGJOYNT-FQEVSTJZSA-N 428.581 1.624 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1705668819 UWMHMZSLQJSVIC-CXAGYDPISA-N 425.946 1.431 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1)C1CC1 1705853495 BVGTZUBGWYHKGF-IAGOWNOFSA-N 425.555 1.191 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1705906166 VRRFDOBGXHAKAR-UHFFFAOYSA-N 449.559 1.957 30 10 IDEE C=CCOc1ccc(Cn2c(N3CC[C@@H](C(N)=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1705911092 YJIXROZWNGGYDP-WZONZLPQSA-N 441.532 1.855 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)NC)C1 1705923177 AIRBUAXLFBDHIB-AWEZNQCLSA-N 441.504 1.478 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1711317641 DGVKICBNNJWGSX-NHCUHLMSSA-N 426.546 1.647 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712164906 RIXSUXIFLGZJFQ-ZWKOTPCHSA-N 430.484 1.850 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1722413908 SJPGQTYELWGAJV-HNNXBMFYSA-N 438.579 1.138 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722494298 OILHHRJPUWTDCX-HCXYKTFWSA-N 433.553 1.782 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CCC)C(=O)C1 1722506672 VBRXKHGCDNSYLL-PGRDOPGGSA-N 444.580 1.830 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1722698917 PETQXGWNRIQJBG-CYBMUJFWSA-N 434.447 1.437 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1726637096 GMDVIBXSIBNCEO-OAHLLOKOSA-N 433.520 1.878 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1728800951 BMAWHAYQCYNRNF-OALUTQOASA-N 425.555 1.495 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C[C@@H]1C 1729791478 JYGJAHFEYVWKCW-BTYIYWSLSA-N 426.477 1.245 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1730200798 DRAGDZDIVJIWGU-MSOLQXFVSA-N 440.504 1.509 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1730785128 FFPXYHUWAUXLHN-UHFFFAOYSA-N 444.561 1.162 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1740608240 CTUJGXFHLCWISU-CQSZACIVSA-N 435.269 1.952 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1740610153 SZLTYUMPKPGYAD-GOSISDBHSA-N 429.546 1.135 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CC1 1740677052 DFQGSIMNZBEHIE-QVKFZJNVSA-N 449.552 1.828 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1740759935 MVDZEAXLNNUVLK-QFBILLFUSA-N 434.566 1.231 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740873614 CWSYNXRGDJWKLU-GOSISDBHSA-N 431.585 1.576 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1741196838 ZJWWEIYMLWVCIJ-CVEARBPZSA-N 428.541 1.031 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC[C@H](CO)O1 1743752812 BOSBZSJXYFRXFV-XLAORIBOSA-N 440.552 1.708 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1746536948 MLHAMIZYFSYZDH-OALUTQOASA-N 442.545 1.680 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)c1 1748289727 PDISKUKTQICCRU-DOTOQJQBSA-N 432.550 1.867 30 10 IDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1748337586 FEGWBDKRCLVSRR-UHFFFAOYSA-N 437.504 1.574 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1748830050 NXSIWZILDMORDD-REWPJTCUSA-N 429.565 1.360 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCOCC1 1748917260 SFADTPUMRNQAJC-UHFFFAOYSA-N 427.505 1.704 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1748984082 LPBBCHRTAJUCLT-LJQANCHMSA-N 427.574 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2cccs2)CC1 1749019535 YFCQLKAUGNPTEK-OAQYLSRUSA-N 431.562 1.750 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccsc2)CC1 1749034109 WFOGDUYPXMCANG-KRWDZBQOSA-N 430.603 1.979 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1749489193 SBYGZSVSQJKLEB-QAPCUYQASA-N 441.579 1.202 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1)C1CC1 1749508229 LJQILMMTELFEJE-HNNXBMFYSA-N 426.587 1.154 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccs1 1749721437 JXPVDWKQYDVGHD-UHFFFAOYSA-N 437.591 1.855 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1752278635 LTRKTTXPWCJRFX-OPAMFIHVSA-N 440.504 1.201 30 10 IDEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760159498 IKOOAFBOQNISSI-KRWDZBQOSA-N 438.557 1.439 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1760189310 HJZCOHBWGJFXDR-IBGZPJMESA-N 443.573 1.850 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1760217469 CDCVXQWONAYMJD-AWEZNQCLSA-N 446.437 1.613 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nnc(C)s2)CC1 1760255248 WQHAEZURMJSPCM-UHFFFAOYSA-N 447.366 1.999 30 10 IDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760346759 FKRQXVIHDJBFBK-IBGZPJMESA-N 446.577 1.471 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760358559 WPKSIUGTMNGNFW-IAGOWNOFSA-N 432.525 1.141 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760552342 KRAFIBQNVIEDQE-OXQOHEQNSA-N 435.550 1.648 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1760839870 GELGBKBALPBHFD-LJQANCHMSA-N 435.532 1.836 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1760853210 HOAKCHBOPBKPTO-UHFFFAOYSA-N 425.537 1.940 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1761395627 DAPTUBALQSWISP-APWZRJJASA-N 444.561 1.161 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCOCC1 1761395629 DAPTUBALQSWISP-QFBILLFUSA-N 444.561 1.161 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCCCO)n1 1762454210 BQPWHVAOUAINFN-IBGZPJMESA-N 444.609 1.432 30 10 IDEE CCCNC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1764584772 VNJBXBHEOAUEAR-AVRDEDQJSA-N 445.568 1.021 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1767481895 FBWMJFBWCULZRO-CNNODRBYSA-N 448.568 1.016 30 10 IDEE COC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1770958804 UYKKLUNCRXKIJC-SBOQUQFBSA-N 446.552 1.633 30 10 IDEE CC(C)C[C@@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)N1C(=O)c2ccccc2C1=O 1849515699 UUDYVSURHJSYNJ-IBGZPJMESA-N 432.484 1.706 30 10 IDEE CCc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc2c(c1)OCCO2 1850576818 WDDGFVQVUHYBJY-UHFFFAOYSA-N 445.483 1.830 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4F)C3)CC2)n1 1851296439 GWMCIAZNQYCKTD-ZDUSSCGKSA-N 428.855 1.842 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CCC(=O)N2Cc2ccccc2)CC1 1851912161 RXHRFFFFLHQCFR-OAQYLSRUSA-N 433.512 1.810 30 10 IDEE Cn1nc(C(F)(F)F)c(C#N)c1N(Cc1ccccc1)C(=O)CN1CCCS1(=O)=O 1851981418 SLIPDYHXGALCQB-UHFFFAOYSA-N 441.435 1.879 30 10 IDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)CO2)nc1 1852449966 YYSNWDTZUGMGIY-WBVHZDCISA-N 428.395 1.944 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N([C@H](C)C(=O)O)C3=O)cc1 1867484425 JMSLGAYMOHRZTQ-FZKQIMNGSA-N 448.435 1.175 30 10 IDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644419 SCXQXWRZVBCGKA-UHFFFAOYSA-N 427.465 1.617 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3CCC(O)CC3)ncnc21 1873591843 TWOWTJNXWYLGOF-UHFFFAOYSA-N 426.521 1.321 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCN(CC)CC)ncnc21 1875229046 MGOJXJQWTBJWRV-UHFFFAOYSA-N 427.553 1.675 30 10 IDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 1891233318 WSCPGKXYHMSPRJ-UHFFFAOYSA-N 427.530 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124542813 JVMSWUXJFBEKQF-HUUCEWRRSA-N 448.329 1.644 30 10 IDEE C=C(CS(=O)(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243417149 QHXSNFKARREBMT-UHFFFAOYSA-N 432.348 1.075 30 10 IDEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243675453 WRUTVVAKBAYRHM-LLVKDONJSA-N 427.332 1.903 30 10 IDEE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255840403 MIMIHDHBXYLCAF-KRWDZBQOSA-N 428.342 1.774 30 10 IDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255875198 UAVMDHVBWSKJSA-ZDUSSCGKSA-N 437.350 1.442 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2267099371 KCKCMNQBFQUQFH-RRFJBIMHSA-N 448.329 1.073 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267272755 CQRCSJBVJZXUEF-WMZOPIPTSA-N 439.369 1.612 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267275360 NBAXSOJGAVLCQA-YCPHGPKFSA-N 444.341 1.904 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2267597199 OZEGKAJPDCBBCS-BFHYXJOUSA-N 447.345 1.242 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2272635696 DLEWBVCKEMPPHO-YEJXKQKISA-N 447.345 1.101 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2315633504 NASFJVTXSXFKFO-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2334261952 NRLOTPINSVBUEU-FPCVCCKLSA-N 449.357 1.805 30 10 IDEE COc1[nH]c(=N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786588 NPLJZTIRNIJZFB-AWEZNQCLSA-N 449.357 1.594 30 10 IDEE Cc1c(C(=O)N[C@@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2343518911 JFLKMEKLUZCSPY-SFHVURJKSA-N 443.353 1.725 30 10 IDEE CN1CCC(C#N)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364285963 NLQKEVDQUHNGSR-UHFFFAOYSA-N 432.546 1.750 30 10 IDEE C#Cc1cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1OC 2370293010 WVVJXVUJWDTLKW-QGZVFWFLSA-N 432.454 1.798 30 10 IDEE Cc1ccc(S(=O)(=O)/N=C(/CN2CCCC2)NN2C(=O)c3ccccc3C2=O)cc1 59074407 VFRQYVRFPBEBFR-UHFFFAOYSA-N 426.498 1.979 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)c1 60195873 XAQCJRRCMQANOZ-UHFFFAOYSA-N 435.527 1.262 30 10 IDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCN1CCO 427401228 VAIWSNIVXHGWAH-MRXNPFEDSA-N 440.475 1.740 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCCOc1ccc(C#N)cc1OC 439923799 SEJRRUDXWQOXSZ-IONDEXAJSA-N 430.457 1.677 30 10 IDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cnccc2C(F)(F)F)c1C#N 443142028 HAHIXYBITYOWTN-UHFFFAOYSA-N 430.412 1.575 30 10 IDEE N#Cc1ccc(OCCNC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cc1 465915525 AOMHRCYLSPDHKN-UHFFFAOYSA-N 427.549 1.961 30 10 IDEE CC(C)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 471010220 WXJJQGHPYJPIQR-HXUWFJFHSA-N 444.561 1.142 30 10 IDEE N#Cc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1F 488858660 VCYBQOPLGVSHJT-UHFFFAOYSA-N 445.519 1.258 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 492785326 SSVVFQGWXNOKEU-PKOBYXMFSA-N 436.516 1.737 30 10 IDEE CN(Cc1cnc(N(C)C)nc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 507745626 XRKQOWUMBZXGPV-UHFFFAOYSA-N 442.545 1.474 30 10 IDEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C)c1=O 513744303 JIIQDNJATNVTOJ-UHFFFAOYSA-N 448.342 1.343 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O 524283003 YFYZRJAQXMDUQA-UHFFFAOYSA-N 446.326 1.030 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)CC2)n1 546930687 SOVAUZOLBOATON-UHFFFAOYSA-N 434.544 1.942 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1 609436168 HPLFCFBINNRXRQ-GOSISDBHSA-N 427.482 1.766 30 10 IDEE N#Cc1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(F)c1 609574088 NRNIGAYDVFLZCR-GOSISDBHSA-N 439.495 1.792 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 726042172 FKYQHGVADNPETR-UHFFFAOYSA-N 441.415 1.936 30 10 IDEE CCN1CCN(Cc2ccccc2CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732445709 CKWXGTDTOYQCIM-DQRAZIAOSA-N 440.548 1.150 30 10 IDEE CCCc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742174997 IMPIJWGVGNUOKF-UHFFFAOYSA-N 448.570 1.669 30 10 IDEE CN(C)C(=O)C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccc(Cl)cc21 743909363 YPFCKWLMIYHHFD-PBHICJAKSA-N 443.935 1.447 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757487634 UTUZDXNPJFZTOR-BTYIYWSLSA-N 436.464 1.869 30 10 IDEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)c1F 761164128 SXWXNKLHFKJQGO-UHFFFAOYSA-N 442.222 1.760 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(-c4ccccc4)n[nH]3)nc2)CC1 767756837 XGLCJWFEZLQNKT-UHFFFAOYSA-N 425.518 1.854 30 10 IDEE C[C@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(Br)cc1 770504000 NDIPBIJWGJHMAJ-IUODEOHRSA-N 427.320 1.909 30 10 IDEE C#CCN(C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 778561161 DAWSQOQNIPIITD-OAHLLOKOSA-N 430.592 1.768 30 10 IDEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccco2)CC1 780180558 SRJLEMWVTTWIKH-NYHFZMIOSA-N 447.488 1.757 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C 782393792 RUIUFDFLCRQAGQ-XLDJFRKUSA-N 439.509 1.640 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H](O)Cc2cnn(C)c2)c1 786794980 CLKOLLQBEPNMBP-YBAYSFDISA-N 433.534 1.555 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)ccc2c1=O 787663845 XFTFNZPZDWJJIA-NEPJUHHUSA-N 432.502 1.057 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H]2CCOC2)CCN1C1CC1 802759342 JJRKXHGUHMWLQX-DOTOQJQBSA-N 446.515 1.807 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1C#N 805201234 BVZJYIRPUGBRQL-INIZCTEOSA-N 426.860 1.758 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 812179063 ONOBVSGOPSBWNM-INIZCTEOSA-N 434.541 1.864 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)c1 1136029352 WEYGKLDIEHWIIA-UHFFFAOYSA-N 428.466 1.639 30 10 IDEE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc(C(=O)NO)cc1 1155846886 JGTVBNZTFBXCMV-UHFFFAOYSA-N 446.257 1.871 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 1158008171 AFHFTSNAUJSUDQ-AWEZNQCLSA-N 444.366 1.442 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)CC2)cc1 1160522057 NXHBQBXKYQOFTQ-PKOBYXMFSA-N 449.529 1.092 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)cc1 1161664361 DSPLAKGOIDFUGB-UHFFFAOYSA-N 437.543 1.962 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1175917880 RTNHZLHTVALREY-SFHVURJKSA-N 437.562 1.051 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 1178208258 PCMYMFZVVQWMBZ-UHFFFAOYSA-N 448.545 1.518 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2nnc(-c3cc4ccccc4cc3OC)o2)CC1 1192977163 UZDRTFRXEJQYPK-UHFFFAOYSA-N 441.513 1.484 30 10 IDEE C#C[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1198526856 VUVZTNBRPCCNBT-SFHVURJKSA-N 449.573 1.921 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ncc(C#N)cc3C)CC2)cc1 1278549658 ZAUIVIJJDRVVDP-UHFFFAOYSA-N 443.529 1.152 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1286396794 ICYAZENIPVVAAS-INIZCTEOSA-N 443.529 1.171 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)OC(C)(C)C 1286400486 HAVBQSJIVPHYSQ-QFIPXVFZSA-N 431.537 1.918 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286461751 WSAXKTUYJDTKBJ-OALUTQOASA-N 432.569 1.099 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(OCCO)c(OC)c2)CC1 1286472928 XMWBLJZEIWTJGJ-GOSISDBHSA-N 427.549 1.975 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1286484479 OWHJSVLPVKFKPP-WZONZLPQSA-N 441.532 1.161 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286484941 RDNUJTYKVGYHSP-HXUWFJFHSA-N 436.560 1.835 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286503556 HEIXVKJUAGQJRO-UHFFFAOYSA-N 425.518 1.227 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286555517 YEWAVDGGLUKOEC-IPLXSBJHSA-N 433.553 1.698 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)[C@H](C)C1 1286876243 JOPQEZYKNDZFKH-BEFAXECRSA-N 435.532 1.788 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1287115903 MZAVWWTXKFKLOP-LJQANCHMSA-N 433.520 1.849 30 10 IDEE COc1ccc(CCN2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)cc1OC 1289362002 MQYOZPSAJAGUSX-SFHVURJKSA-N 442.512 1.959 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc(C)s1 1293241775 GEHKZCYADQOWJP-MRXNPFEDSA-N 438.517 1.652 30 10 IDEE COC(=O)CCN(CC(OC)OC)C(=O)COc1ccc(C#N)c(Br)c1 1296244107 GLLHUEPGDBDVLN-UHFFFAOYSA-N 429.267 1.710 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1300303252 HXGXLRCGPXEXNT-AWEZNQCLSA-N 433.534 1.821 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1300393375 VLWNDOCMKPLQHS-MOPGFXCFSA-N 444.532 1.956 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1300497324 APPHZFKCGOEAGE-LJQANCHMSA-N 439.545 1.096 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1300603639 VHETURIWPAEOOY-OAQYLSRUSA-N 432.546 1.842 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(N2CCCC2)CCOCC1 1300664931 WHOSHCYAHDVCMD-UHFFFAOYSA-N 425.537 1.466 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N(CC)CCS(C)(=O)=O)c1ccccc1 1301009931 GAEBGEHBCXFNKB-UHFFFAOYSA-N 431.562 1.985 30 10 IDEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301209377 RSMVIDQRVFHXHA-CQSZACIVSA-N 432.887 1.851 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCCO)CCN1C1CC1 1303001882 MSDWLLVDRJAWQW-GOSISDBHSA-N 438.536 1.655 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(O)CCN(C)C1 1305520420 CJFYZLLKSPROIU-ZHRRBRCNSA-N 441.584 1.098 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1312725951 MTALNJLIORKNQA-UHFFFAOYSA-N 440.525 1.876 30 10 IDEE CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1314639463 DAPDSSIBMZOGFG-UHFFFAOYSA-N 432.488 1.743 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1315103043 LUNFHNNOIRMOMP-KSFYIVLOSA-N 438.488 1.206 30 10 IDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1320045315 BYINRDCRUJHPFR-GFCCVEGCSA-N 428.454 1.493 30 10 IDEE O=C(NCc1c(F)cc(F)c(F)c1F)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 1345211177 AFPKAJRFSOCEOS-UHFFFAOYSA-N 443.319 1.919 30 10 IDEE CSc1ccc(N2C[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1 1354428313 LUKVWKZIEIEAMA-CYBMUJFWSA-N 426.502 1.831 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358937272 OCNOEKKEYNAKPZ-YESZJQIVSA-N 446.552 1.510 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358960430 DVOGJUWAPBVIRW-ROUUACIJSA-N 445.545 1.162 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358965233 QNDZYOPMALKAON-UWJYYQICSA-N 434.537 1.796 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCn2ccnc2C1 1358971825 JZPAZRXYYSKSIA-GOSISDBHSA-N 448.552 1.881 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1358978497 OIKAFLWDURWNLO-IAGOWNOFSA-N 449.577 1.556 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359059855 CGTYYVITDBAZHH-FQEVSTJZSA-N 448.618 1.521 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359137320 MJPUYOGGIKNQSF-JPLJXNOCSA-N 433.553 1.842 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](OCC=C)C1 1359296686 QQFSVWBLHJJGDM-QGZVFWFLSA-N 425.489 1.800 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@H]1C 1359300802 KJBNJBJGCWFOJW-WBVHZDCISA-N 429.546 1.606 30 10 IDEE CC(C)(C)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359516181 SJBJPRFGUZDBRN-RUNIHZNKSA-N 427.553 1.777 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1c1ccc(Cl)cc1 1452619126 DBHXXAYBCKXBFL-JKSUJKDBSA-N 430.848 1.279 30 10 IDEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 1457058544 DTUZBNKYBCOHTO-SSEXGKCCSA-N 429.550 1.753 30 10 IDEE COC(=O)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H]1C(=O)OC 1460932231 FMKXOLUXXIGAOX-APHBMKBZSA-N 433.530 1.967 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nc1 1460955929 BHBDUNWXACCYON-DZGCQCFKSA-N 437.465 1.168 30 10 IDEE CN1C[C@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)N(C(=O)OC(C)(C)C)CC1=O 1463091641 CTOKESZUFCLGEX-QZTJIDSGSA-N 428.489 1.536 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(=O)OC 1471895407 PCCREZHNSHWGNQ-QEEYODRMSA-N 444.550 1.282 30 10 IDEE C#C[C@@H](NC(=O)NCCc1nnc2c(=O)n(C)ccn12)c1ccc(Br)cc1 1478895621 DZRBODWIFIZGFM-CQSZACIVSA-N 429.278 1.407 30 10 IDEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1502349410 XDEDBHMPXQIBKW-UHFFFAOYSA-N 436.564 1.171 30 10 IDEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1502407561 HUAWAZIZTPNGSD-IBGZPJMESA-N 449.515 1.764 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504815312 TUZINJUBKSLMDA-HXUWFJFHSA-N 438.580 1.793 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1507544702 AUIYODSHIJTVEY-ANNUQZOISA-N 438.463 1.981 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507627582 DVMHKECMUKOZCF-IIBYNOLFSA-N 432.546 1.741 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507629517 NCWJBPMHVSMACZ-ZWKOTPCHSA-N 430.578 1.697 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)CC 1507644466 IPMVRRWDKIHODU-GDLZYMKVSA-N 447.586 1.037 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@@H]1C 1507654197 XPBLPBBQFBLLHC-VQTJNVASSA-N 431.606 1.908 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[C@@H]2COCCO2)CC1 1507732440 MULDCEOWIRBDDW-OAQYLSRUSA-N 441.532 1.426 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507927124 XRRHWOGZCINTNJ-MAUKXSAKSA-N 445.611 1.260 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCn2nc(C)nc2C1 1508148345 RMVKLAVUDLIZCY-UHFFFAOYSA-N 425.522 1.765 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1515795252 CYFIOHFDZWKBED-UHFFFAOYSA-N 433.520 1.958 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)n1 1520239505 PBRBPPRPLAWYPC-UHFFFAOYSA-N 430.468 1.708 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NC3CCN(CC(=O)OC(C)(C)C)CC3)CC2)o1 1532301367 HMMYYIUMGQANJV-UHFFFAOYSA-N 431.537 1.993 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1539068238 QSQHIIIDFKAARM-UHFFFAOYSA-N 433.520 1.972 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1539125580 OLBJLJDKBSMUOM-FUHWJXTLSA-N 433.534 1.959 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CC[C@H](O)C1 1539145782 RNKBGRVKSGQRGR-NRFANRHFSA-N 438.576 1.881 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539341019 XCYQDHZIMURUTJ-UHFFFAOYSA-N 438.580 1.461 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1539413019 GVZNTESPIVWCMX-KRWDZBQOSA-N 448.568 1.567 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539434845 VQQNDEOYEQQEJH-GOSISDBHSA-N 443.573 1.534 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539615016 FBLWWBBCLBJDAF-WCIYBSDLSA-N 433.553 1.842 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539752025 ZLHSZAVMTKXQJF-FQEVSTJZSA-N 446.596 1.509 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(C(F)(F)F)CC1 1540862055 PRVUYBGVKXOFDD-UHFFFAOYSA-N 435.410 1.926 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1540869273 HTLKFEBTFXTKHX-RBUKOAKNSA-N 438.532 1.369 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(=O)(=O)CC)C1 1540886506 FBAPSWFINSEXAX-HNNXBMFYSA-N 440.957 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1540905936 XIFARWGKVDKDON-UHFFFAOYSA-N 425.599 1.772 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1541053890 HXUPZVJSMFDLAW-ICPLQIHGSA-N 438.532 1.709 30 10 IDEE CN(CCc1nccs1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554264717 ARVYONIUCDQYHN-HNENSFHCSA-N 427.534 1.892 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1556458028 XGHFAFWFKXQNFB-WZONZLPQSA-N 442.516 1.537 30 10 IDEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643399 VENKAOWCMRPLOE-RIFZZMRRSA-N 437.949 1.881 30 10 IDEE C#CCN(C(=O)N[C@@H]1COc2cccc(Br)c2C1)[C@H]1CCS(=O)(=O)C1 1565259058 PWCYSZBLPRWDCL-STQMWFEESA-N 427.320 1.585 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)s1 1567096275 XXMDCTMONBGWQZ-UHFFFAOYSA-N 429.564 1.738 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1587765659 IYBNBMNSTSYDQL-LAUBAEHRSA-N 446.577 1.469 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587856172 HUEVVABJYLRVIM-GOSISDBHSA-N 441.536 1.643 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCSC2)CC1 1588930540 YQJLRSICLRNFRM-LAUBAEHRSA-N 433.578 1.354 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1594962124 ISRVUZMYRLUPAT-MRXNPFEDSA-N 435.525 1.680 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)OC(C)(C)C1 1595466674 LIGXGNQFOPPWAT-UHFFFAOYSA-N 427.509 1.621 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1595594774 PFHCDQPCXKQMOM-KRWDZBQOSA-N 428.512 1.973 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)s1 1597473700 GLTKYDCZJPQJQH-KRWDZBQOSA-N 434.539 1.881 30 10 IDEE NC(=O)[C@H]1CC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)=NN1c1ccccc1 1611648762 IIGIMXDYQVMLKV-GOSISDBHSA-N 435.440 1.011 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1611686419 GJGRKCQYPCRSQL-QERJWTBHSA-N 440.545 1.271 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCCC3)C2)n1Cc1ccc(C#N)o1 1611688894 HJNUGWQCUSTEJK-CVEARBPZSA-N 447.565 1.466 30 10 IDEE O=C(NCc1ccccc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1616175090 NPTYKQOPPXSAQK-KRUJCJHPSA-N 441.509 1.535 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@@H](COC)O[C@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1616182023 SDWWTZGZSWMADR-FYINFDKHSA-N 431.493 1.683 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc(-c3cccc(C#N)c3)no1)CCS2(=O)=O 1616811287 UFBHZBVJHKBFLA-ZGOJQLDESA-N 443.481 1.842 30 10 IDEE C#CCCN(CCOC)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1618713275 YRRWGDOHZFTOCY-UHFFFAOYSA-N 447.513 1.073 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1619671115 XBESXUADVHTJLY-QHCPKHFHSA-N 438.532 1.578 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1620175781 ZCVCFYPTQPGAGR-UHFFFAOYSA-N 427.490 1.307 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](CO)c3cccc(C(F)(F)F)c3)CC2)o1 1620497063 CUCJQHCXPZJREY-QGZVFWFLSA-N 437.422 1.845 30 10 IDEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1620573352 IZERJXGPOWPWRP-LJQANCHMSA-N 429.586 1.744 30 10 IDEE O=C(CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NCC(=O)N1CCCC1 1620633761 ZRMCVIQFHDYMSI-UWVGGRQHSA-N 437.331 1.828 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)cc1 1627363071 AXZBSQYDQMDKDK-UHFFFAOYSA-N 434.905 1.973 30 10 IDEE CCC[C@H](C(=O)OCC)n1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 1632458185 VLQMLNPVGYWBKD-OAHLLOKOSA-N 447.517 1.855 30 10 IDEE CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1632880634 VPPLVARNLAFEPT-GHNGSUTGSA-N 428.489 1.970 30 10 IDEE N#Cc1cn(CC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(=O)nc1O 1635948878 JOYZFFQKTXGGFV-NSHDSACASA-N 435.362 1.020 30 10 IDEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512356 CGTOZPDCJZSEFD-ABSDTBQOSA-N 435.571 1.243 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)OCc3ccccc3)CCC2)c1 1638749532 QGIKWAUDPJURKB-UHFFFAOYSA-N 426.494 1.994 30 10 IDEE C[C@H](CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1639491585 WTBMLNSUBFEZTL-RKDXNWHRSA-N 430.412 1.518 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 1643372282 DTHUDRMUOKIGPC-UHFFFAOYSA-N 433.427 1.488 30 10 IDEE CN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCC[C@H]1C#N 1647994034 XRHWKBFJDRVJLO-VQTJNVASSA-N 434.562 1.895 30 10 IDEE CN(C)CC1(O)CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1648047214 COZZBTGQASTAEU-UHFFFAOYSA-N 427.505 1.938 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ncc(C(=O)OC)s2)s1 1653082763 OFSLQMZPFITPBL-UHFFFAOYSA-N 429.545 1.357 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCc2c(CC#N)cccc2C1 1659652128 NOZUPBRTCXMVPP-UHFFFAOYSA-N 447.582 1.835 30 10 IDEE C#Cc1cccc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 1674420369 ARNAOFKLIFLOLF-UHFFFAOYSA-N 427.526 1.829 30 10 IDEE C=C1CCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CC1 1679509130 XTZJQOXXIRDBSQ-UHFFFAOYSA-N 431.536 1.153 30 10 IDEE C#CCN(C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H]1CCS(=O)(=O)C1 1684108207 YORKDJWBNGEEAR-GJZGRUSLSA-N 449.520 1.711 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1684359751 BRRPKRQHSIBHLI-JOCHJYFZSA-N 433.560 1.601 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(O)CCSC2)c1 1689870765 ZNKJECQLYUTSGK-JOCHJYFZSA-N 449.540 1.659 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2cccc(C)c2)CC1 1690112283 UAFQIDRRSRJUIM-OALUTQOASA-N 444.605 1.756 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(COC)CCOCC2)CC1 1690134715 CHHZYWANGKDHNA-PMACEKPBSA-N 447.580 1.201 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)C1 1690700352 QXWALHMBWYEYDY-CVEARBPZSA-N 439.582 1.266 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1692849342 WJLIPEGVDHUBJP-MRCUWXFGSA-N 446.515 1.920 30 10 IDEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)OC 1695114435 BUHZMFSOONWAIE-RTBURBONSA-N 442.520 1.495 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1698246550 UGELZDUWTNLZLY-UQASEVPWSA-N 429.500 1.953 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1698306460 GVAUBPRSDULAJB-UHFFFAOYSA-N 428.562 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC2CC2)c1 1705476788 FEVARUAMRGOGPW-GJZGRUSLSA-N 432.550 1.578 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705562554 FHXBFNYFCUKAEN-WBVHZDCISA-N 445.545 1.388 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705570461 PKOFHLHEYNVKGB-MOPGFXCFSA-N 427.530 1.236 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1705626344 RWUQRHKJNOEPJB-UHFFFAOYSA-N 440.529 1.383 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1705638691 UBBGNJDOWUGHFG-QGZVFWFLSA-N 448.449 1.931 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705659397 UXOWWKYXIHXRMA-INIZCTEOSA-N 444.561 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705930811 WMFNDNUWNPAKPC-MOPGFXCFSA-N 438.642 1.609 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1706059009 UNVWXQFBAAWOQN-UHFFFAOYSA-N 433.520 1.403 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1706832003 DTGPLRRCSORFOJ-OAHLLOKOSA-N 442.549 1.447 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1706935151 MXLMRQZOUMQAKN-MBOZVWFJSA-N 436.582 1.584 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1707219022 GPWZXFUSWHXFLI-NLWGTHIKSA-N 427.505 1.743 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1708149140 HBGNMFZCYOPYHV-KRWDZBQOSA-N 437.548 1.594 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C#N)cc1 1710899243 CPWIUPMHUMONQR-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)C1 1711340442 VCCHXIUHCWQQTE-IBGZPJMESA-N 426.521 1.832 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCOCC(F)F)cc1 1712880425 JCBPBFHNELYLJA-UHFFFAOYSA-N 434.447 1.712 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1722307998 CZZHQRCLMDBBSI-KRWDZBQOSA-N 446.577 1.724 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722363597 GONPMNZKWFBYNW-NQIIRXRSSA-N 438.594 1.993 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722369564 BEWNLFLTKGNHCF-KRWDZBQOSA-N 436.509 1.637 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1722373214 KRKAWDCAHMIOQP-HUUCEWRRSA-N 446.602 1.591 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1722491242 JBPBHXBXGKERSQ-JTOWHCCKSA-N 426.518 1.311 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722550161 FZIRRDBFBLNHSG-MRXNPFEDSA-N 446.943 1.362 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1722581093 ANGFLXYNGGXBTP-HNNXBMFYSA-N 442.586 1.769 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1722682286 ZEIITGWROOBZLA-SJORKVTESA-N 434.566 1.278 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722698992 QCZMMRAYDNSJQZ-UHFFFAOYSA-N 440.614 1.467 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1723780489 RPGLIGILTOVDHF-HUUCEWRRSA-N 428.534 1.632 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1Cc1ccc(C#N)o1 1723923669 ATMNYRZTVCCJEP-UONOGXRCSA-N 434.522 1.407 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCn2ccnc2C)CCO1 1729678589 FGBLDENNCDMIHA-FQEVSTJZSA-N 448.531 1.753 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1731180068 ABSAGCSOHHBYHH-LJQANCHMSA-N 444.492 1.198 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1740558297 RPPBDWINPFYJRM-LJQANCHMSA-N 436.560 1.739 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740618998 FGXDSVUKBIJXRV-ROUUACIJSA-N 431.493 1.428 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(=O)N(CCOC)C1 1740634973 JOASEAATVIZHOJ-INIZCTEOSA-N 426.908 1.561 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740750157 MOJXVNWSPBGYCE-ZACQAIPSSA-N 445.524 1.667 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740843892 SGMSMVCFTDCBFF-LIRRHRJNSA-N 440.570 1.522 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1740897589 NKBDKEAZPCXWBZ-UHFFFAOYSA-N 447.503 1.450 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740975617 CPVRXROVVZWPKM-MSOLQXFVSA-N 446.577 1.711 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F 1741798240 GHWGHYVBWUYUNG-GFCCVEGCSA-N 440.476 1.468 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1742905240 BXXXXMUHSRYFBQ-INCQDFKNSA-N 426.546 1.785 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1743362990 KZEMOLMSAVQWMZ-MAUKXSAKSA-N 427.465 1.303 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1746286038 BIPHOHVWCHTEFJ-HYLQGWQCSA-N 430.509 1.314 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748117553 OOCGRIWVGMPWCY-SYLQMPFCSA-N 429.525 1.280 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1748638812 WWYMWULHAZSBAI-KRWDZBQOSA-N 446.515 1.663 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2C[C@@H]2C)c1 1748692809 OYKCJQACRIFUDJ-JQHSSLGASA-N 441.557 1.892 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748823734 AROYRUQIQZEPCT-CEXWTWQISA-N 435.594 1.488 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1748984081 LPBBCHRTAJUCLT-IBGZPJMESA-N 427.574 1.834 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2nncn2C)CC1 1749000086 MQGBGWCYUQYWOS-UHFFFAOYSA-N 438.561 1.511 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749246350 AFVMJYOHLMVNSN-CQSZACIVSA-N 436.948 1.997 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1749828786 HEWFPJAWQSJKBG-UHFFFAOYSA-N 431.447 1.257 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C)COC1 1749998464 VGLPWRQYXTYXEA-QGZVFWFLSA-N 441.536 1.632 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1751094341 IDKJMBZOJOKGLE-IAGOWNOFSA-N 432.550 1.889 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1Cc1ccc(C#N)o1 1751229114 XYNQSVVRGBYXSF-CQSZACIVSA-N 426.502 1.964 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCO[C@H]2C)c1 1760128131 ZMBZWKICNBKKMZ-XKDCRVNJSA-N 439.516 1.726 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1760138624 CWCZUSICNDAYBB-HXUWFJFHSA-N 439.516 1.889 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1760163240 PUSAGGPUMJAJBC-HKUYNNGSSA-N 430.578 1.795 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760182153 HGAORASULZYNOW-QGZVFWFLSA-N 437.610 1.313 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1760235272 HYCUTUUPJFWZGT-IBGZPJMESA-N 447.561 1.322 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1760423020 WPUCKMTUZPBJNN-HNNXBMFYSA-N 427.575 1.096 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1760525467 HBKBJPROXLAJMV-IYBDPMFKSA-N 447.609 1.481 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1760554846 OTJGHLJWRJQKSE-UHFFFAOYSA-N 437.610 1.963 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760555354 DGRLCMIHEKUDCF-RCCFBDPRSA-N 425.599 1.692 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568542 LSVNHICZULPUDY-OXQOHEQNSA-N 436.582 1.452 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760571717 PNPFLBJTHBARKM-BBWFWOEESA-N 436.582 1.477 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1760685486 YDSPZIUINZTUBG-FQEVSTJZSA-N 437.548 1.929 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760761208 QNSNELRIMGUYKS-MRXNPFEDSA-N 443.552 1.850 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1760830164 LSFLEOYQFXGCOC-KRWDZBQOSA-N 425.493 1.437 30 10 IDEE C[C@@H]1CCC[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762827340 SZEITMYYYDFWRL-AURUSVBOSA-N 441.536 1.771 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1766819529 LZRCDYFMRVRYHH-BSBNDGSWSA-N 437.504 1.872 30 10 IDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767067896 HIGPJCYIRWBNPU-UZYVYHOESA-N 435.488 1.417 30 10 IDEE CO[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769059331 DFCYDVWGJBOCKN-XSAFGROZSA-N 430.509 1.314 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1769419063 FBPFKXYUDHVLMN-GOSISDBHSA-N 436.520 1.854 30 10 IDEE COCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1771124169 FJCIPCLGJJGPDI-NRFANRHFSA-N 426.525 1.422 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(C)C)nc1 1771305214 WJXFYIOVIMRUGO-NSHGMRRFSA-N 442.520 1.961 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C#N)C1 1771358753 PMKSFFMELWSJDJ-MRXNPFEDSA-N 445.501 1.481 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1772660578 ZZDXTBVXOBDXFD-UHFFFAOYSA-N 443.573 1.995 30 10 IDEE C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1849022141 XTYRNPJNIYWYFK-AWEZNQCLSA-N 440.516 1.858 30 10 IDEE C[C@H]1CC(=NC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)NN1c1ccc(Cl)cn1 1851776300 YFOMEONYKSCBNL-LBPRGKRZSA-N 425.942 1.968 30 10 IDEE N#Cc1c(-c2ccccc2)ccnc1C(=O)NCCN1CCN(S(=O)(=O)C2CC2)CC1 1852568284 YMWJKTPOZHPJSL-UHFFFAOYSA-N 439.541 1.460 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CCC2=O)cc1 1853789468 ICRFDVGXEDNRJZ-QGZVFWFLSA-N 432.546 1.551 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCN(Cc3ccc(C#N)cc3)[C@H](C)C2=O)cc1 1855643887 KKQPCJQCFXANND-QGZVFWFLSA-N 425.510 1.900 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1=O 1856792829 XOOBOIPZYIFMCN-GOEBONIOSA-N 428.894 1.363 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1ccncc1 1870355321 RUPBXIJEIAPCTP-UHFFFAOYSA-N 426.517 1.343 30 10 IDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCN(CC)CC2)cc1=O 1870384976 BIRATYWBVUPECI-UHFFFAOYSA-N 446.573 1.246 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN(CCOC)CCOC 1870396243 VCXYJQXOAUEIJJ-UHFFFAOYSA-N 443.544 1.824 30 10 IDEE CCN(CC)CCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872649739 MDRCMFHSJBKWSS-UHFFFAOYSA-N 446.533 1.509 30 10 IDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(C(C)=O)CC2)nc1C(F)(F)F 1872800384 SNCBASOUJYFPER-NSHDSACASA-N 432.424 1.679 30 10 IDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2cccc(OC)c2)C1=O 1873044398 DXFGHUOPOANACB-UHFFFAOYSA-N 427.482 1.398 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661342 NBFOYUGKMNNLOE-UHFFFAOYSA-N 436.516 1.993 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Oc1cc(Br)cnc1C#N 2078082151 HPMUUUCWGLQOOP-DGCLKSJQSA-N 432.296 1.785 30 10 IDEE C=C(CS(=O)(=O)N1CCOC[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247901156 GEPBJDDQTWFOKY-OAHLLOKOSA-N 446.375 1.729 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2251463267 YLIBXFYUGKRAMA-LLVKDONJSA-N 429.333 1.963 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255544759 FEOALTTZCYYGAB-KBPBESRZSA-N 432.330 1.553 30 10 IDEE C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255602473 SVJKUSYERQOAMM-CMPLNLGQSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255626800 KQQCZARBSDJFFN-ZSEKCTLFSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255656549 CBUJAXORRIBRJA-UHFFFAOYSA-N 436.314 1.727 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255701232 OEWGZEZSAPDYDH-HOTGVXAUSA-N 433.314 1.403 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2256613865 JYSIZUQETRIJGD-INIZCTEOSA-N 439.362 1.956 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267479987 SUSCRUCJGXLJTR-PBHICJAKSA-N 447.341 1.338 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2269074581 RPWUCMWWHMLRIQ-QFIPXVFZSA-N 440.309 1.168 30 10 IDEE Cc1ccnc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2270593436 ZGHRWDLOMADRRY-UHFFFAOYSA-N 441.259 1.972 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=[S@@]3(=O)CC[C@@H](N)C3)cc2Cl)OC1(C)C 2282316788 HZDQAISIFLWDGB-UVJXUPGXSA-N 440.805 1.588 30 10 IDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCCC1 2286056548 CMGFWWGWCMZSJC-RBUKOAKNSA-N 436.530 1.956 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)n1 2296612478 FSBGYPVRMFZPOY-HXUWFJFHSA-N 440.475 1.986 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)n1C 2315597103 AGSDDPOWFZIPHY-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1C 2337321741 OAEQMKITNVVCMB-FICVDOATSA-N 446.357 1.623 30 10 IDEE C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O 8551485 JOVLCJDINAUYJW-MKIDGPAKSA-N 442.530 1.609 30 10 IDEE in-vitro C#CCN1C(=O)[C@@H]2[C@H](c3ccc(OCCC)cc3)N[C@@](CCSC)(C(=O)O)[C@@H]2C1=O 253377570 XLTWKFMTAJULHO-VDNWNZSNSA-N 430.526 1.931 30 10 IDEE CCC(=O)NCc1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OC 443709763 OJPPKTYXPYOIHB-UHFFFAOYSA-N 443.529 1.499 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@]4(CNC(=O)C4)C3)nnc12 447701372 QVXZEBDJHWIISV-OAQYLSRUSA-N 438.513 1.061 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 460281712 NYOARJDNONIHGJ-UHFFFAOYSA-N 442.541 1.368 30 10 IDEE COc1ccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 461654975 CTDVMHUWDICAKV-UHFFFAOYSA-N 444.513 1.967 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCOCC3)cc2C1=O 463087398 LCCZCJOUCBYRKD-NRFANRHFSA-N 447.491 1.669 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)nn2)cc1 464809836 OWRUXLJEQOTLTO-HNNXBMFYSA-N 433.476 1.358 30 10 IDEE N#CC1(CS(=O)(=O)NC2CCC(NS(=O)(=O)CC3(C#N)CCC3)CC2)CCC1 474584460 XMYOCUGVFUFLIE-UHFFFAOYSA-N 428.580 1.524 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCO1 479388302 BLLLNNKDEFQKAB-HOCLYGCPSA-N 427.526 1.611 30 10 IDEE N#CCN1CCC[C@@H](CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 479904796 WAUVTZZYTDLBMA-AWEZNQCLSA-N 435.322 1.916 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 483780611 YMSQHLNYIUVZBC-INIZCTEOSA-N 439.482 1.914 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@H]1CCCO1 486839257 LOJFJHXQLLBJEV-OAHLLOKOSA-N 449.935 1.909 30 10 IDEE CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 504150947 DUUBHLZKSGLCQG-UHFFFAOYSA-N 434.543 1.982 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 509001129 LXMXVDNHDHKZMB-OTWHNJEPSA-N 432.569 1.179 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1Br 511058944 VPJZXCPTFSKOGB-UHFFFAOYSA-N 426.214 1.716 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1-c1ccc(F)cc1 532011863 OGSDFBJJVTXVMX-UHFFFAOYSA-N 433.386 1.704 30 10 IDEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)c1 546903401 IMTLBPJYJULYKC-UHFFFAOYSA-N 441.557 1.896 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCN2C1=O 615858079 HDRVHIJPPSUJTB-GOSISDBHSA-N 438.488 1.770 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 711709681 WDAKSASIOMKBBG-CQSZACIVSA-N 427.317 1.669 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCN1CCOC 727860185 WHBRMGJVOZSWQI-AEFFLSMTSA-N 436.578 1.511 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1C 730140273 FDQKJRQXONGOIE-SFHVURJKSA-N 445.589 1.581 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 732152415 BATKHVMFPHZVJL-JLUOLNIDSA-N 426.473 1.820 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)s1 742174433 BUBXLJVJLJLYRO-UHFFFAOYSA-N 428.561 1.910 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 742290645 FDMJYFQOGNBXCM-UHFFFAOYSA-N 438.506 1.116 30 10 IDEE C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742658674 AIPDZCBMKKXUSE-CRAIPNDOSA-N 440.525 1.768 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)CCC4)c2=O)cn1 748063867 ZGRNYCQCRFNTCF-UHFFFAOYSA-N 430.533 1.993 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 749856719 KCDKNQTXPYXZBH-HNNXBMFYSA-N 434.521 1.466 30 10 IDEE COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 764527539 HCFACXGVNQTXNT-INIZCTEOSA-N 428.514 1.582 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCOc2ccc(C#N)cc2)[C@H](C)O)cc1C 777303382 VXWVRAITANLNFI-OXJNMPFZSA-N 432.498 1.825 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 779189596 STOWQRDLJZEAGH-SFHVURJKSA-N 431.470 1.695 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H](O)Cc2cnn(C)c2)cc1 786802017 PSQDSCGQNSCHTK-YBAYSFDISA-N 433.534 1.555 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCc1ccccc1)S(=O)(=O)N1CCO[C@H](C#N)C1 790440841 LKEAAPZOEDYODD-GOSISDBHSA-N 438.550 1.525 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc1 793430772 LQVPROBJVWBZHH-ZDUSSCGKSA-N 449.460 1.806 30 10 IDEE CCOc1ccc(Br)cc1S(=O)(=O)N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 798826273 SCTRJZOCVRTUOU-SNVBAGLBSA-N 442.295 1.719 30 10 IDEE CCOC(=O)C1(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCOCC1 802826877 PUXUOSBNIMMAPV-UHFFFAOYSA-N 434.392 1.742 30 10 IDEE Cc1nc2sc3c(c2c(=O)n1N=Cc1nccn1S(=O)(=O)N(C)C)CCCCC3 814729148 CMUAMWNMRQJDIG-UHFFFAOYSA-N 434.547 1.769 30 10 IDEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)NCc1ccccc1 1084490377 OSEJBEVNSQFQIN-UHFFFAOYSA-N 426.462 1.755 30 10 IDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1125703133 DQFYHPMOAKVLBR-UHFFFAOYSA-N 427.486 1.551 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)c4cscn4)[C@@H](C)C3)CC2)o1 1129614699 YHONXIYACUPINA-ZDUSSCGKSA-N 428.518 1.901 30 10 IDEE CS(=O)(=O)c1ccccc1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1129758155 OWPYIYRFFZSFRZ-KRWDZBQOSA-N 440.481 1.483 30 10 IDEE C=C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 1136769292 HLFLJGJIDHYWLF-GOSISDBHSA-N 441.509 1.820 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 1158008172 AFHFTSNAUJSUDQ-CQSZACIVSA-N 444.366 1.442 30 10 IDEE CCOC(=O)c1cn(C)nc1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1160248532 HIGMRNSVMFBWLA-UHFFFAOYSA-N 447.517 1.834 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1177758457 ACTRVXAKAALGGF-IRFCIJBXSA-N 433.574 1.148 30 10 IDEE C#CCNC(=O)C1CCN(Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1 1205509119 DENTYSHLZWVZHB-CQSZACIVSA-N 436.350 1.924 30 10 IDEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1228479104 LNOPCWBQQPYAMW-UHFFFAOYSA-N 443.591 1.627 30 10 IDEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286333573 LNGWNUUIQGKYIZ-UHFFFAOYSA-N 426.565 1.742 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCSC2)CC1 1286474568 MRVPRMMUXOHAOZ-JOCHJYFZSA-N 443.573 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)OC)CC1 1286486632 PHUSJJRBXBCJIX-UHFFFAOYSA-N 439.520 1.316 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1286548086 LUCXPDKETRORKA-MJGOQNOKSA-N 430.553 1.587 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286559843 BATHNPZIONFMOP-NJAFHUGGSA-N 434.566 1.673 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](COc2ccccc2)C1 1286784973 ABWDJENEHDSYNH-LJQANCHMSA-N 436.516 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825708 VKMYKMYWEZAPJX-APWZRJJASA-N 428.555 1.145 30 10 IDEE COC(=O)c1ccccc1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1289234468 NMMFJAUZZFFIJX-IBGZPJMESA-N 434.452 1.909 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1300300564 HTBWXIXHERGPNR-STQMWFEESA-N 449.392 1.802 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300498751 MTWYDYKPNISLKU-FQEVSTJZSA-N 442.589 1.377 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@H]1C 1300655291 VDPCABXJIRSLHZ-KSFYIVLOSA-N 430.505 1.588 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1300663972 MCERQCMXDZZLTG-UHFFFAOYSA-N 431.493 1.023 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](CC)OC)CC1 1300698580 VNZOGAJBXPAEED-KRWDZBQOSA-N 435.532 1.372 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H]2C)CC1 1300710819 MJBVQYAKCSZNEK-MJGOQNOKSA-N 426.565 1.916 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1301086820 ZSMHSMMHDSXMGX-CVEARBPZSA-N 428.580 1.304 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1301346715 JCRYLFTYWIITAI-LAUBAEHRSA-N 449.577 1.886 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)C(C)C 1301366557 FCQVTEDXAYLJQF-ROUUACIJSA-N 429.569 1.206 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](CCOC)C1 1301498056 IXTHQCVIXQBVSU-HNNXBMFYSA-N 437.504 1.759 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(N)=O)C1 1301531688 UCQGIGPLNFWBSO-QHCPKHFHSA-N 438.532 1.715 30 10 IDEE C#CCN(CC(=O)N1CCO[C@](COC)(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1301753859 GEKCHJZBBLDVHX-OAQYLSRUSA-N 426.510 1.442 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1301952173 HVEGNEZQJBAPFD-IGCXYCKISA-N 426.568 1.453 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 1302291165 CULLSEDBTKUUTL-UHFFFAOYSA-N 435.893 1.716 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302628102 JGPDIIUCDYHWIE-UDJKBAMHSA-N 427.509 1.129 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccncc2)nnc1N1CCSCC1 1303095127 BDVWVDIDYDUTDH-HNENSFHCSA-N 425.518 1.344 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1303556195 CNHWLAKADFFJRS-AWEZNQCLSA-N 433.452 1.467 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](COC)[C@@H]1CCCOC1 1303724807 DCLOKKJCIOGGNU-BPQIPLTHSA-N 437.562 1.842 30 10 IDEE CCOCc1nnc(N2CCc3ccc(O)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1314355390 IBNJSAHXELZNRB-QZQOTICOSA-N 438.488 1.609 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1314484493 VRPVTYPGIZQCDW-LJQANCHMSA-N 444.561 1.858 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1314683791 VNWMXHAQCMECMF-HOTGVXAUSA-N 437.472 1.864 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCN(C)[C@H]3c3ccc(F)cc3)CC2)o1 1324155825 AIKSXXGDXUSUGR-RXVVDRJESA-N 426.496 1.677 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1357659074 KJLIYOGVFBLANU-UHFFFAOYSA-N 442.516 1.831 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1358883833 CQKYLQNAWJEHKI-OAHLLOKOSA-N 427.534 1.435 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2conc2COC)CC1 1359029801 IBCYAPPQXBGHFW-JOCHJYFZSA-N 444.536 1.257 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359051683 GUPFDABIPCSUIX-HNNXBMFYSA-N 440.533 1.745 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359302225 ZUIVNCFDHFOPQC-HXUWFJFHSA-N 438.576 1.638 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]1c1nncn1C 1359302689 QGHKJRWYFCFQGA-OAHLLOKOSA-N 427.538 1.406 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1359311748 HKEQJKGELCDNIE-DOTOQJQBSA-N 439.582 1.413 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCCCO2)C1 1359313096 GNMQOUDLYRPCAS-IXDOHACOSA-N 427.571 1.629 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCn1cc([C@H]2CCOC2)cn1 1360193087 OZJLTBJMVRVPQR-KRWDZBQOSA-N 426.525 1.557 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)c1 1440645095 OMVJMJVHOCEPMG-UHFFFAOYSA-N 430.486 1.426 30 10 IDEE Cc1c(O)nc(CCN(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)nc1O 1456244000 KUDSJQYTKALYLC-UHFFFAOYSA-N 446.305 1.968 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1CCOCC1 1465025026 VHURDQYLBXXSFC-FQEVSTJZSA-N 428.533 1.910 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CCCN(CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1468465204 UVENUNLVFDBGGQ-CQSZACIVSA-N 432.468 1.801 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2ccc(Cl)cc2Cl)CC1 1478094152 UHIZSWKGELXIMF-UHFFFAOYSA-N 433.361 1.721 30 10 IDEE CN(C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1503403364 XVNCGBGLWYHCFK-UHFFFAOYSA-N 426.525 1.634 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C2CC2)cc(OC)c1OC 1504078334 HCMBOHGULHHAMH-KSFYIVLOSA-N 443.504 1.861 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCn2cc(Br)cn2)CCO1 1505323359 FQENWPRWGJLJEG-INIZCTEOSA-N 443.309 1.652 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1507588164 GTTFREUFYYGFNT-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC(O)CC1 1507643980 YAILGRFSQUTYAD-UHFFFAOYSA-N 445.365 1.955 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507652489 JPOOVCZZLNRUOC-RTWAWAEBSA-N 432.528 1.203 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](OC)C(F)(F)F)CC1 1507726333 IFDNFGFJOSNDDT-OAHLLOKOSA-N 428.459 1.123 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNC(=O)C(C)C)CC1 1507728852 VQCKUEJFGLEVJC-UHFFFAOYSA-N 438.576 1.599 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1507746912 VBYZLGLOPQYFEZ-HZPDHXFCSA-N 441.623 1.386 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1507791962 CLZVHXARNXMBOB-CJNGLKHVSA-N 449.371 1.462 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C(N)=O)c2)CC1 1507898502 YJCNZLRAHCVFAI-OAHLLOKOSA-N 446.577 1.632 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507927128 XRRHWOGZCINTNJ-YJBOKZPZSA-N 445.611 1.260 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508145208 KQJMZCAHLIUIIT-QGZVFWFLSA-N 449.552 1.571 30 10 IDEE COCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1519239694 PNXLMBGDCSITKX-MRXNPFEDSA-N 428.493 1.274 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1519437259 TZZRKHGGWOABPU-OSAWLIQMSA-N 445.524 1.120 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC2CCOCC2)c1 1521083138 SMUFRPXWYABDBB-UHFFFAOYSA-N 445.545 1.637 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@@H]2CO)CCO1 1521136087 BMGPCHMITRQEHT-UXHICEINSA-N 425.537 1.230 30 10 IDEE Cn1nc(I)cc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1522319259 PRZBGFBJSRMCCK-CYBMUJFWSA-N 449.252 1.822 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 1531151487 GKYRTSVQDOUCPN-UHFFFAOYSA-N 435.322 1.466 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CCCc1ccccc1)C2 1532963661 FXYOXXYPLWUNDW-FCHUYYIVSA-N 432.524 1.915 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1533848684 FCYCMGOMCFWGOR-LBPRGKRZSA-N 435.410 1.374 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(CC#N)cc2)o1 1537510051 FDEFYHAMDYRJSB-QGZVFWFLSA-N 445.497 1.992 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)Cc1ccon1 1539022392 JEVSEHPADUNQJC-CQSZACIVSA-N 434.547 1.496 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1539216799 XIFDGGJPEHEFPN-QGZVFWFLSA-N 435.550 1.261 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1539230177 CGIZTZKSEZFQAE-AVRDEDQJSA-N 444.557 1.275 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539772857 OJMLDZOALODKSN-UHFFFAOYSA-N 444.883 1.199 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539948082 SZERQLRFHNRCAN-UHFFFAOYSA-N 431.585 1.517 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N 1540868335 AUXSIJOGYUIZMJ-CQSZACIVSA-N 430.538 1.279 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2ccccc2)C1 1540903122 YVPZNOPCPKGYLB-RTBURBONSA-N 443.573 1.899 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1541105206 GJGDKIRCAMGVSR-JFIYKMOQSA-N 433.582 1.787 30 10 IDEE NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1545342432 OTGNALIYSGAKPI-SFHVURJKSA-N 449.404 1.915 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1547882997 CHIUJQXZGLYDQO-JOCHJYFZSA-N 426.521 1.726 30 10 IDEE CO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1554621756 XFGSBIUVWDSKCK-SOUVJXGZSA-N 441.458 1.373 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1556977283 JEPANCBJPZUCIX-AWEZNQCLSA-N 438.978 1.409 30 10 IDEE N#Cc1cc(Br)c(OC(=O)Cn2cnc(C(N)=O)n2)c(Br)c1 1584746118 FYFKANVIEXAUEN-UHFFFAOYSA-N 429.028 1.379 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588049867 MKSWZGQXNCXZCK-SZVBFZGTSA-N 429.546 1.700 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588055233 UFBKVAMHYHZQBX-UYAOXDASSA-N 443.573 1.545 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588065395 YDPQODYKKZYBQJ-GOSISDBHSA-N 431.562 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1588166398 GAEPJKJBPYHWSD-OAQYLSRUSA-N 444.582 1.501 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOCC2(C)C)CC1 1588801171 XTXXLSVFZQJXQJ-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccco2)CC1 1588913286 GKQHGUSAHPGUHP-HSZRJFAPSA-N 434.500 1.807 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1589070087 QJYHCGQDMFRWKK-OWCLPIDISA-N 439.607 1.070 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1589484136 RIRVSPOQDWZDHM-ZWKOTPCHSA-N 430.553 1.458 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1593691184 UCFVEOTWWRBAAH-GOSISDBHSA-N 432.569 1.848 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595185452 ZDPJLWMDGRHRAS-NRFANRHFSA-N 448.545 1.690 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1595595164 UAEJCMYQOSRLID-UHFFFAOYSA-N 430.484 1.403 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595602549 NEWUJEMFNLUJFH-QGZVFWFLSA-N 428.468 1.424 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NC(C)C)C1 1595700379 NJOMEEBBYAYNQS-SFHVURJKSA-N 437.508 1.227 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)OCCCO2 1611658249 AGRMCEZGMGMMIQ-GJZGRUSLSA-N 448.549 1.836 30 10 IDEE O=C1CN(S(=O)(=O)c2cccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)c2)CCN1 1625533413 DATMDGDEQOEYAJ-TWGQIWQCSA-N 431.445 1.167 30 10 IDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 1625572226 GDGYZUHWYGMOAT-JKSUJKDBSA-N 430.452 1.639 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1626694750 HPACCCRWECCISE-FHWLQOOXSA-N 442.516 1.705 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CC1 1628350995 UQJSKBIBXYNRSB-UHFFFAOYSA-N 433.574 1.654 30 10 IDEE CSCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nn[nH]n1 1633462559 YZIIMKHJUKAYBB-AWTNTWDUSA-N 435.554 1.897 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCN3C3CCCCC3)CC2)cc1 1636997969 FQCCEMAZWKSODP-FQEVSTJZSA-N 445.589 1.981 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1639130746 WGUMLOGWQMPCFJ-UHFFFAOYSA-N 436.354 1.280 30 10 IDEE N#Cc1cn(CCNC(=O)c2nn(-c3ccccc3)cc2Br)c(=O)nc1O 1641033907 KOUSDQKUGQNJLN-UHFFFAOYSA-N 429.234 1.199 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)n1CCO 1641368821 XNKHSZRHTCESBJ-JTQLQIEISA-N 425.272 1.367 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 1664807616 FGJGYQBLEHKWSS-UHFFFAOYSA-N 445.497 1.633 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)n1 1676568683 MPYRTBRPUAHAMJ-KRWDZBQOSA-N 444.536 1.268 30 10 IDEE C#C[C@H](NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 1677377289 GMACSKJPEQKSLM-MOPGFXCFSA-N 435.366 1.829 30 10 IDEE C#CCN(C(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1678861971 HPYYLCNFMXSXTO-AWEZNQCLSA-N 439.538 1.407 30 10 IDEE O=C1CN(CCNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCN1 1681276387 CBCPTWBPTPEJIJ-DTORHVGOSA-N 438.319 1.231 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1681285649 NQYOVVKHBIPMPB-SJORKVTESA-N 433.505 1.913 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986302 MXIGZMWBUHJCFH-AEFFLSMTSA-N 433.578 1.971 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C2CC2)N(C)C)CC1 1690148664 OMPBFLROICCFLN-OAQYLSRUSA-N 435.576 1.570 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1690171270 YOEBKUGQKLQXAA-SJORKVTESA-N 432.594 1.728 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccnn2)CC1 1690228055 MJXPBDBROKPSNH-CYBMUJFWSA-N 433.314 1.254 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690667275 XNRYJXJWWOOPCQ-QGZVFWFLSA-N 446.577 1.321 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2nccs2)CC1 1690671556 YRSUCBYBAASIPL-MRXNPFEDSA-N 431.566 1.995 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1NC(=O)CC1(C)C 1691871044 MXJRKUNHZCDJHF-WBVHZDCISA-N 437.552 1.693 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C(N)=O)nc2)CCOC1 1692585475 LJJAQPKDTJMIDT-VFNWGFHPSA-N 427.509 1.599 30 10 IDEE C[C@H](Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C)N1CCOCC1 1692784743 MLVSVHVCSWVGJR-GOSISDBHSA-N 438.580 1.890 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)n1 1693425227 ADCBFMKEDPFPRD-HRAATJIYSA-N 430.532 1.550 30 10 IDEE Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1693510276 UVYONZQPDDDFRP-NFFVOIMASA-N 435.532 1.824 30 10 IDEE C[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1693795465 JSBZPVXACPXDGW-DPHDRGAJSA-N 427.509 1.129 30 10 IDEE COC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697875190 BPVXKXCXUBMZND-SGRLSNSRSA-N 437.504 1.263 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC=C(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1698144194 NSGUNAPQKHDDEM-RJCBAWPRSA-N 430.509 1.685 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698494575 WXJATGHYVQFDIK-AEFFLSMTSA-N 435.463 1.552 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1705476424 ACQYSQFBKQJUCT-KGLIPLIRSA-N 438.554 1.698 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705518665 OUXDXSUFPBBQSV-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705524886 UMKQUFRCQMDJNA-CQSZACIVSA-N 435.554 1.551 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1705620724 DRPJLONESTWIHX-UHFFFAOYSA-N 434.504 1.434 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccc(F)cc1 1705630001 CBNGPNHXQFJUGV-JOCHJYFZSA-N 429.496 1.533 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1705639846 XQDSXZMVYAZASG-TZIWHRDSSA-N 426.540 1.979 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(OC)CCOC2)CC1 1705640207 ITWVYMOQHDQPDN-QFIPXVFZSA-N 431.487 1.708 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705737584 VVQTXDHBTPAXKC-IBGZPJMESA-N 440.548 1.800 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705811596 GLTPVJMTMJQOAW-GXTWGEPZSA-N 425.515 1.124 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705818311 GBTARLWJZPYWOO-AWEZNQCLSA-N 430.538 1.902 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1705843758 NHGDNFKJBWICPM-GOSISDBHSA-N 433.578 1.791 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1705863730 CTUSNCQPOKNNMO-ZDUSSCGKSA-N 436.567 1.319 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705903497 XAPKPQAJDWPTKN-INIZCTEOSA-N 433.557 1.452 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCO[C@H]2C)C1 1705916056 IFQBPSAEWIUECJ-UDKICSLYSA-N 436.553 1.640 30 10 IDEE CC1(C)COCCN1CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1706957011 CRHCXEXTOSPZRC-QGZVFWFLSA-N 444.511 1.836 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1711397000 ADWRXYSDFMLCBV-IBGZPJMESA-N 435.532 1.695 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1722359042 PCYQDLBZQNHOKT-QGZVFWFLSA-N 430.530 1.848 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C)C(C)(C)C1 1722371357 WCPNGFYVXBACGN-UHFFFAOYSA-N 427.597 1.295 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc2c1OCCCO2 1722448142 NOSPUUUJJMJGIZ-KRWDZBQOSA-N 425.489 1.525 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1722461149 DNGNYUXMMRZQAQ-UHFFFAOYSA-N 439.593 1.566 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722505365 KBSWEMLBOJUACX-NSHGMRRFSA-N 426.521 1.663 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722613923 VHDVBCHVFNCCQK-OAQYLSRUSA-N 442.612 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CC)C1 1722688712 JNVLHSHMOVOHPR-CQSZACIVSA-N 437.342 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722725007 BYXKUOUILWYPMF-CABCVRRESA-N 443.595 1.142 30 10 IDEE CC(=O)NCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1722856763 YPDXPVYADLAGIQ-NVXWUHKLSA-N 449.556 1.709 30 10 IDEE C[C@@H]1CCCC[C@@H]1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1726531176 GCPVMRFBVYWGND-TVFCKZIOSA-N 437.566 1.504 30 10 IDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 1727632695 JPCSVIMCISXLND-MSOLQXFVSA-N 429.546 1.524 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCC(CC#N)CC1 1729219001 GKOUDUTVSBKOBE-UHFFFAOYSA-N 431.566 1.723 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1740640602 QXHCCFIZOLZYQW-QGZVFWFLSA-N 449.577 1.510 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740656910 RMXANXVQGXXILN-QGZVFWFLSA-N 446.602 1.378 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740685396 MXQTUQCDMQPRBZ-WOJBJXKFSA-N 443.548 1.843 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740712319 DBQQATIKALCZOL-UHFFFAOYSA-N 428.562 1.614 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1740729768 LTAKUZSAKPSUOY-OAQYLSRUSA-N 437.529 1.617 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)COC)CC1 1740755654 BSGHTXTYCQZXSY-OXQOHEQNSA-N 441.536 1.448 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1740858743 ZDPUXLPWLDGJMY-KRWDZBQOSA-N 448.597 1.670 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740888497 TYEBPAICNAMHFH-RCCFBDPRSA-N 425.599 1.692 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740959911 HDQBJSIBXFPMFF-FDDCHVKYSA-N 425.533 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740989501 OVHJPUKCZWZDHZ-QGZVFWFLSA-N 444.517 1.815 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1743384493 ONKUHECGNGCRJW-QRQCRPRQSA-N 426.521 1.708 30 10 IDEE CN(c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1747633603 MYRKMWYOTGVSTC-MEUCICPISA-N 427.509 1.525 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1748697808 OBYCTQKGUBFPKD-KRWDZBQOSA-N 443.552 1.473 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748811425 GRJKJBPYASTEMB-OALUTQOASA-N 444.605 1.642 30 10 IDEE C=C(Br)Cn1c(-c2ccccc2OC)nnc1N(C)CCNS(C)(=O)=O 1749098579 FVHOLHCUDFMKJH-UHFFFAOYSA-N 444.355 1.848 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](COCCOC)C1 1749109691 VTYIKTQPRAGJMB-HNNXBMFYSA-N 442.358 1.798 30 10 IDEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749363654 LPAJEARREAAPCS-KRWDZBQOSA-N 425.472 1.256 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OCC)cc1 1749669391 KDLHHJHUSBMVTQ-KRWDZBQOSA-N 447.561 1.518 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749680287 HSJYWIFCZHFADG-MRXNPFEDSA-N 441.561 1.395 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749751831 BRENLGHRKWRGDZ-INIZCTEOSA-N 449.606 1.659 30 10 IDEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1750899496 CXKBRAORXLOWOL-UHFFFAOYSA-N 447.547 1.890 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(=O)N1CCOCC1 1760167364 MEDGWSWOIDXNIO-UHFFFAOYSA-N 432.322 1.944 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760185096 PMSZDBGASOJKBX-QFBILLFUSA-N 427.530 1.726 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760192423 ITAHCRLMGVDXRC-HSALFYBXSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@](O)(c1ccccc1)C(F)(F)F 1760193008 RCTHXNFQNARKJM-FQEVSTJZSA-N 433.434 1.939 30 10 IDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1Cc1cn(C2COC2)nn1 1760221791 LCOUPAXDPCZFMM-UHFFFAOYSA-N 431.500 1.574 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CC1 1760264411 MNPIUAKNDJPWIT-NRFANRHFSA-N 443.523 1.947 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760372584 ONMJZSWDKHQHJE-KXBFYZLASA-N 444.971 1.867 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760568913 XBNNFWGUNHYHMH-MRXNPFEDSA-N 429.612 1.909 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1=O 1761122025 WITHEOUOXWINEH-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCS(C)(=O)=O)CCOC1 1761287137 LSAKPCLHSQPNPN-IBGZPJMESA-N 425.555 1.493 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1763035701 PSCWLDHELLNSJD-MRXNPFEDSA-N 444.561 1.699 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1764982996 YWPFERMMILSYAG-UHFFFAOYSA-N 448.531 1.843 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1C 1765537814 HCINUUNXCOGSBA-HXOBKFHXSA-N 437.548 1.737 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1766670558 FGEDEQCNQHNCFX-MUUNZHRXSA-N 435.575 1.599 30 10 IDEE CN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1767206584 FWONNGBYQDPMAH-UHFFFAOYSA-N 429.546 1.993 30 10 IDEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1768759024 BLHLZPSLOOUHQD-UHFFFAOYSA-N 445.545 1.515 30 10 IDEE C#C[C@@H]1COCCN1C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772511056 IRBNWQRMIOHYQF-CABCVRRESA-N 434.459 1.514 30 10 IDEE O=C(NCC#CCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1850019757 IGZMVNWLJDRYFM-UHFFFAOYSA-N 439.965 1.193 30 10 IDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)cc1 1853757634 VLQFARFAFKJDMY-UHFFFAOYSA-N 426.498 1.924 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2=O)cc1 1853820672 YJCLSGKFZJMUNP-UHFFFAOYSA-N 431.901 1.955 30 10 IDEE Cc1ccc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1F 1856603223 MDEQCKMRMVYATI-SFHVURJKSA-N 437.493 1.980 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c(O)c1 1862741079 LAFXLCQVRUKHNM-SFHVURJKSA-N 441.396 1.720 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1c(C#N)cnn1-c1ccccc1F 1866235566 BBLHUMXNJOULTI-AWEZNQCLSA-N 430.440 1.980 30 10 IDEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)c1 1874309506 ZJSVETCCMKFFPL-SSDVNMTOSA-N 427.486 1.943 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)CC1=O 1874337166 FYFXCCVXHGLAAP-DKNGMTOASA-N 444.517 1.233 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1 1892016265 LTTUMPNEPVIZTO-HNNXBMFYSA-N 427.411 1.768 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 1904856671 ZITKBGQFWIITBB-UHFFFAOYSA-N 425.482 1.485 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC(C#N)C2)CCN1C(=O)OC(C)(C)C 1982311173 HESXNLIIAFUBNH-UHFFFAOYSA-N 445.542 1.391 30 10 IDEE Cc1ncc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1C#N 2174778763 AUDWSHKNUCXPKX-SFHVURJKSA-N 430.486 1.578 30 10 IDEE Cc1cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247841543 JMBXCWBUNCVSIU-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCCN)Cc1ccccc1 2247882541 QGVFGRJKRHSENA-UHFFFAOYSA-N 434.371 1.259 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254801984 AJDMXESHFLAIKE-UHFFFAOYSA-N 436.293 1.089 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255545773 VMTAPZNNDYDORZ-CQSZACIVSA-N 434.346 1.849 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255652291 RZKDEZGUYIRVOU-DZGCQCFKSA-N 434.346 1.847 30 10 IDEE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255751787 CUBIOHMYHSRSIV-UHFFFAOYSA-N 448.398 1.472 30 10 IDEE C=C(CN(C)C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256616906 FVFQKQSQPRMOIF-OAHLLOKOSA-N 437.346 1.710 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1COCCN1Cc1ccccc1 2267280341 OUJRPHDRMNGMEJ-HXUWFJFHSA-N 439.365 1.955 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)n1 2267497623 DTYRFNQXNTUPKX-ROUUACIJSA-N 436.365 1.970 30 10 IDEE Cc1nc(NC(=O)c2cc(=NC(=O)OC(C)(C)C)[nH][nH]2)ncc1B1OC(C)(C)C(C)(C)O1 2268634253 XNPJEHJBJJDMOW-UHFFFAOYSA-N 444.301 1.829 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[S@@](=O)CC3)cc2Cl)OC1(C)C 2282304930 RAULELNVIQEALL-RUZDIDTESA-N 439.817 1.844 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccn1 2296610742 FOHOJFNURZHUIY-FQEVSTJZSA-N 439.516 1.576 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2315636991 BWBNYRWDCQDHGJ-MRXNPFEDSA-N 445.350 1.757 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F 102748653 ACXFEQILUBEQRC-LAFOYAEKSA-N 428.464 1.920 30 10 IDEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccncc1 102756571 GSRXTMRXRUJFMD-HQMFNGAOSA-N 436.468 1.900 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)C2=O)cc1 426372771 PIOQGOXOFBWXHW-KOKUJZTLSA-N 432.524 1.467 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)cc2)c1=O 440386922 UERYQCWBMZADCI-UHFFFAOYSA-N 439.468 1.301 30 10 IDEE Cn1cc(C#N)cc1C(=O)NC[C@H](O)COc1ccc(I)cc1 471595368 HVVDNYDNXSARCI-ZDUSSCGKSA-N 425.226 1.671 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)c1 479590443 DBFBOZOTFHUDGM-HNNXBMFYSA-N 426.498 1.679 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 480071941 QAUFUCSSGGJXME-JKSUJKDBSA-N 432.488 1.367 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 480103403 BOHYYCOAWYOGJG-MRXNPFEDSA-N 447.561 1.412 30 10 IDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486621676 VEKZHCNQQZYOKD-GOSISDBHSA-N 427.482 1.733 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 508494462 PRVRQPGOCJHFMP-UHFFFAOYSA-N 446.577 1.686 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 508497875 NYECFSGISOZALP-MJGOQNOKSA-N 447.561 1.800 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OCCC(=O)NC)CC1 508843492 DFWJWPQWCLXEKU-UHFFFAOYSA-N 437.504 1.901 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 508885535 QNVHITUKLVCKQE-SJLPKXTDSA-N 435.525 1.930 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 524122731 MRBICXSCNZVMTQ-CYBMUJFWSA-N 449.454 1.311 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2CN2CCOCC2)CC1 538266761 KKWFZLYCAJMAGU-XZOQPEGZSA-N 443.567 1.721 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1-c1ccccc1C 543862269 MFMGIGDIJQCIBJ-UHFFFAOYSA-N 426.479 1.426 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2C[C@H]2CCCO2)cc1 561019648 COLACPGSXDNXLA-KNQAVFIVSA-N 425.489 1.903 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 561548819 MSXSAGSXGDRUOP-HOTGVXAUSA-N 427.482 1.764 30 10 IDEE N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCC1 564358033 PKUYSDHQGHHDHO-UHFFFAOYSA-N 426.347 1.885 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 565393897 RDOKKUGJCGTNGG-HXUWFJFHSA-N 429.484 1.852 30 10 IDEE Cc1cc(N2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)n2ncnc2n1 582377227 YDYUWUVIVFVURZ-KRWDZBQOSA-N 434.479 1.619 30 10 IDEE Cc1ccc2c(O)c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc2n1 603781660 MWALHJGDVPDJPB-UHFFFAOYSA-N 437.481 1.662 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@@H]1CCCO1 603798464 LOBPGCWDNHMINE-HNNXBMFYSA-N 447.582 1.115 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC(F)(F)F)C1=O 730143987 GMUSSEZYXXTZTC-QVINMUBDSA-N 431.484 1.554 30 10 IDEE CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC 730318281 RXTYQUSPVCWFHM-MRXNPFEDSA-N 436.534 1.806 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 732152757 AIPUASBAQNSJPM-FRTIYWTKSA-N 437.283 1.989 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1C 734292397 MGBYALIOPJERSL-UHFFFAOYSA-N 435.527 1.609 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)C(C)(C)C1 757110793 DWRNBMAEAYOJOG-HNNXBMFYSA-N 441.575 1.175 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc1 780208867 FITNYVAICCDNSQ-DEOSSOPVSA-N 449.507 1.875 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 784124890 FDYREDJSDLFBLM-IBGZPJMESA-N 430.574 1.953 30 10 IDEE C[C@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCC1 787656222 VZFTWHFSWZAVFP-UONOGXRCSA-N 425.532 1.785 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccnc(OC3CCOCC3)c2)n1 789005468 AUYJKEAVQYVLCU-UHFFFAOYSA-N 427.505 1.827 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)n1 790108661 AGIRZXFIIWOWEU-FQEVSTJZSA-N 425.468 1.409 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796608875 SLJHNGFCDKSLRJ-PKOBYXMFSA-N 443.529 1.626 30 10 IDEE COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)[C@H](C)n1cnc(C#N)n1 798859742 NGOQWHDVFKCIBD-MNOVXSKESA-N 427.870 1.283 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1 805229948 GSGCSYRSNICJJQ-HNNXBMFYSA-N 438.436 1.713 30 10 IDEE COc1cc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)ccc1C#N 812250721 QDIQFIWMQVUZIC-QRGKHIHXSA-N 432.480 1.986 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1-c1ccccc1C 812274652 IKVAPCBMXTUQDT-UHFFFAOYSA-N 429.452 1.128 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc1 919845626 JIHYBQPEXLZMAA-XDJHFCHBSA-N 430.552 1.156 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nnnn3CC2)cc1 1141966460 DBLVYPDUMDHECX-GUYLDNPGSA-N 445.549 1.857 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)o1 1178404842 DAULAACSBFJQGO-YOEHRIQHSA-N 447.513 1.843 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3cccc(C)c3)c2CCC)CC1 1217216172 WKVIDRHUIWHWLG-UHFFFAOYSA-N 444.561 1.750 30 10 IDEE CC#CC[C@@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1253301008 IKXLZFLJOUZCKR-SFHVURJKSA-N 438.569 1.698 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1286297494 BVGGXLIYYOAJRX-KSSFIOAISA-N 439.545 1.780 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCS(C)(=O)=O)c1 1286309211 IDNDATVISXGHFX-UHFFFAOYSA-N 438.513 1.441 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1 1286321503 QFIGPFBBWZZCKY-UHFFFAOYSA-N 434.591 1.610 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286341236 CMWGQBVAUMUPMY-OAHLLOKOSA-N 433.534 1.709 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1N1CCOCC1 1286406876 KOKAHEBMFQOUBR-UHFFFAOYSA-N 433.491 1.775 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1286408921 GVDNRJICPAZRNF-GOSISDBHSA-N 449.483 1.010 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](COC)OC)CC1 1286491296 MCLAVXXWAZUPPN-FQEVSTJZSA-N 443.523 1.635 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)CC1 1286551893 NVSSAPCBTWRFRZ-WMZOPIPTSA-N 435.550 1.909 30 10 IDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286697774 UAOXOJUJHYQIJW-IBGZPJMESA-N 446.577 1.937 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccc(O)c1 1286781029 MYDPTNFQFTXQRF-KBPBESRZSA-N 436.538 1.094 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC[C@H]21 1286782412 TXWDQGJVMLSCOZ-SJLPKXTDSA-N 444.561 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286818762 NNBRWUJOJONPGE-HOTGVXAUSA-N 432.550 1.132 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286823895 RIJCMDOJZIKELS-CQSZACIVSA-N 436.563 1.468 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1286969337 PAUMZIKMRQQAEE-CRAIPNDOSA-N 445.545 1.870 30 10 IDEE CC1=CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1290247086 UDINAGYGOHWTPG-VXPUYCOJSA-N 425.493 1.083 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H](C2CC2)O1 1291224288 VLNOKFKMLMMBFN-HNAYVOBHSA-N 444.561 1.760 30 10 IDEE CC[S@](=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297812756 FXXWJHZVABUOKG-JWRCQZCYSA-N 433.607 1.579 30 10 IDEE N#C[C@H](CO)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1297879474 APGLLKAVIDBVMU-XYHYMSPGSA-N 426.317 1.651 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1300309713 IJHJWAZBOWHSDV-DLBZAZTESA-N 448.568 1.959 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300495966 LVNXWJCROQCIRR-QYZOEREBSA-N 436.578 1.758 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccsc1)N(C)C 1300651044 ZRAPIJDHLGDYMX-SFHVURJKSA-N 430.578 1.965 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)COCCO1 1300654859 JPNCZJFBBDGHKX-QFIPXVFZSA-N 428.489 1.608 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC 1300808159 SPIZAKVTKAKMJV-OAQYLSRUSA-N 426.546 1.943 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301047385 GQMULRAOKXXMDW-OAHLLOKOSA-N 427.900 1.548 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301510477 YGUZUZVRZBGDLL-QGZVFWFLSA-N 426.521 1.259 30 10 IDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301615783 WFQSTLKDXQPLHU-UHFFFAOYSA-N 438.561 1.770 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1301951622 BXMPIPYIWQAXDJ-LSDHHAIUSA-N 427.475 1.994 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1303005143 YARVPIWPDCGHEI-UONOGXRCSA-N 437.426 1.952 30 10 IDEE Cn1cc([C@H](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C2(CO)CCC2)cn1 1307800495 IERMFTIWPXFWLH-NQIIRXRSSA-N 442.589 1.684 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCOC4)n3CCSCCCO)CC2)c1 1316533634 YGGCBBFPIFJUAG-SFHVURJKSA-N 443.577 1.491 30 10 IDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318287582 SVOUTMLDGOKDDW-HKUYNNGSSA-N 437.544 1.503 30 10 IDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 1354360267 IEAYYKQTPPEJCP-UXEGYOSNSA-N 437.518 1.796 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 1358929917 KXRGJRLTHIHTKZ-JYJNAYRXSA-N 427.596 1.355 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC(C)(C)C1 1359005011 RVXXUVBEOBZZHI-UHFFFAOYSA-N 435.536 1.491 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1359012562 ROPOKGVCSKPAJO-UHFFFAOYSA-N 446.573 1.471 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1359023364 IIRKOOMNEAZDGD-NYHFZMIOSA-N 438.488 1.220 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1359024057 DNYGIQLGSGDGRY-ROUUACIJSA-N 437.610 1.387 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)c2occc2C)CC1 1359033648 KGZBGMICXRZLBS-UHFFFAOYSA-N 433.516 1.817 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1359052560 JCOSRUUTUINJPX-UHFFFAOYSA-N 434.953 1.655 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1359094524 BZPJXXNRNZLGKI-WMZOPIPTSA-N 432.550 1.403 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359293256 LFTHUUYGFKJLPW-NSHDSACASA-N 436.314 1.005 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](COCC)C1 1359296748 SQTQYABNKVBJPG-MRXNPFEDSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCc2nn(C)c(=O)cc2C1 1359297336 MXQIZFIWMVONMT-UHFFFAOYSA-N 439.907 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](N2CCCC2)C1 1359333946 OXXNOEVSXKMWRJ-FQEVSTJZSA-N 444.605 1.929 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359639402 BMYBLOITDXVSOW-UHFFFAOYSA-N 447.547 1.649 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 1450274051 UTRPXAFACPAYMB-INIZCTEOSA-N 425.413 1.876 30 10 IDEE CCOC(=O)C1([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCOCC1 1456553782 UCKWXQXOQLBNEL-OAHLLOKOSA-N 437.518 1.275 30 10 IDEE N#Cc1cnc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(Br)c1 1458103648 AGSUEGIEROPZOR-UHFFFAOYSA-N 432.303 1.987 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)CN1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1460771978 PSVWVRZWWIERGT-DVSDUFGPSA-N 436.553 1.773 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1466320008 NGASVCQLFARIEH-CQSZACIVSA-N 427.527 1.181 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 1468536844 FUQUHVGYDINXMI-NRFANRHFSA-N 435.484 1.639 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)C(=O)NC)c1 1507552041 JQRKFBKKGVOUFL-GOSISDBHSA-N 438.532 1.958 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507592845 ZGKPHIUPWOQHDC-HZPDHXFCSA-N 432.525 1.373 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507632896 QGOCQOCOBQRIOM-HXUWFJFHSA-N 448.637 1.200 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507659251 YKJMMOXJWDQYRR-QFIPXVFZSA-N 448.571 1.780 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@H](F)C2)CC1 1507733824 MGKOLGZHHKPLBK-FUHWJXTLSA-N 430.528 1.618 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CC=CCC2)CC1 1507740386 RWDJSWZUMYBLQC-UHFFFAOYSA-N 433.560 1.492 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C 1508094413 XSAKABVKXWNMNN-JKSUJKDBSA-N 434.541 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCC)CC1 1508138272 ZOHNRXJVXYBYRA-UHFFFAOYSA-N 446.577 1.684 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1515958727 KLINTEZRQZGSCB-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCS(C)(=O)=O)CCOC1 1516185005 RDOYJWSHIAMNIA-RBUKOAKNSA-N 443.545 1.587 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(F)c2)CC1 1539240081 WMTWXGGBUDSJMV-MRXNPFEDSA-N 429.521 1.832 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCCO)CC1 1539467321 RILZJFXVKLUXFE-UHFFFAOYSA-N 430.553 1.033 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)CCOC)CC1 1539480793 FESKUGSWICQSPY-GCJKJVERSA-N 433.553 1.273 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1540072430 LHUIMNBNQYZLAS-KRWDZBQOSA-N 440.614 1.355 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1540194329 KLRNAQJSCJWSKP-GOSISDBHSA-N 441.941 1.182 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCCOCC)CC1 1540857288 MRYPMUNFEYSBTI-UHFFFAOYSA-N 444.536 1.951 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1540863155 QFVHYQPWSAFOJT-KSFYIVLOSA-N 445.495 1.855 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1540864022 MWQFOUPGYZHABX-MRXNPFEDSA-N 433.516 1.771 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1540872050 APJPFMNTMZTSKH-HXUWFJFHSA-N 426.565 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCO1 1540898108 ZQSLGAYRPVBBKJ-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE CCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NCCOC)C1 1548368117 USGUQRIKWJWXPM-INIZCTEOSA-N 427.427 1.560 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1554353386 XCJZDRGWWFCWNO-FOIQADDNSA-N 432.431 1.754 30 10 IDEE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1557133600 QTWBKQLOHFTFOU-AEFFLSMTSA-N 442.541 1.876 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1 1557928686 FCRPUQDILSVUDV-KDURUIRLSA-N 441.322 1.938 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1562440021 ACYZUMVZDWODBP-KLSXAPCHSA-N 438.477 1.858 30 10 IDEE CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566243538 BDSMLMYZFVZPBC-AEFFLSMTSA-N 437.924 1.825 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1C[C@@]1(N2CCOCC2)CCSC1 1587562838 UHTZHRDWJQLVMU-UEXGIBASSA-N 437.610 1.668 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1587861267 IYMVBIZZBOZNCG-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 1588199187 IPZDXRKSXPDJIY-UHFFFAOYSA-N 430.511 1.782 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1588387486 UTRATCKQPXANQX-HZPDHXFCSA-N 427.596 1.214 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1588800464 HREVHBHEPZSCMJ-OAQYLSRUSA-N 436.608 1.369 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)CC1 1588848211 ABWORUYDGWCIHS-UHFFFAOYSA-N 433.516 1.480 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCC(F)F)CC1 1588930516 YEMFPAGNZBUOEM-INIZCTEOSA-N 425.480 1.767 30 10 IDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589043486 ZJJAQMGVJDYGAH-QGZVFWFLSA-N 442.520 1.923 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595477258 SMPKKFNLYWDWTH-HZPDHXFCSA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595593910 JXBBWOXSOUNQCP-AQOAWAETSA-N 433.553 1.625 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCC[C@@H]1C 1608453912 OIBQVXOZZNDOBC-RCDICMHDSA-N 439.520 1.502 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1611659364 QBICVNDOVNVRIE-UONOGXRCSA-N 437.545 1.880 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H]1CCOC1 1616923048 VSWUSKMPNJDSRS-DLBZAZTESA-N 426.525 1.618 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1617703210 SXCOTWVEKRBRLN-GOSISDBHSA-N 434.928 1.817 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1618787999 BPPKPLXAEQYLHZ-UHFFFAOYSA-N 431.504 1.378 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619602844 LMUVAYKNIFBAHB-SJLPKXTDSA-N 428.493 1.716 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC(S(N)(=O)=O)CC1 1626942258 RPGWWMUIWMTVFM-SFHVURJKSA-N 448.545 1.672 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@]1(OCCO)CCOC1 1628967074 KYUAHDBMEQPLPG-CVDCTZTESA-N 445.516 1.677 30 10 IDEE Cc1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1629991743 NUMGKFUDCZLAGW-HSZRJFAPSA-N 441.337 1.745 30 10 IDEE C=CC1(CC(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1631269893 QGSMKCZGIKZRNV-QGZVFWFLSA-N 441.594 1.521 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)CC1 1632623626 GLNFAHORXOBSSB-NRFANRHFSA-N 434.899 1.646 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1635887709 GJDQZVUXBFCPCG-UHFFFAOYSA-N 436.534 1.898 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(Oc2cncc(Cl)c2)CC1)c1cc[nH]n1 1636848953 VNKOTQNEAXBJGS-UHFFFAOYSA-N 435.868 1.812 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 1637909790 WHHWXLIRLAZJOJ-QGZVFWFLSA-N 427.505 1.182 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)cc1 1643568541 UOJAHNMPQHDHON-CALCHBBNSA-N 427.486 1.008 30 10 IDEE C#CCN(C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C1CCN(C)CC1 1645259732 VMJLMAUHDJPWPM-UHFFFAOYSA-N 428.352 1.575 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1646252884 WLXISWMJUZQJEI-SOLBZPMBSA-N 426.560 1.478 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)c1cc[nH]n1 1647955516 JELIVCWCZREOQW-KRWDZBQOSA-N 444.488 1.763 30 10 IDEE Cn1ccnc1[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c(F)c1 1649120315 DOKOTKOIYWGFHA-LJQANCHMSA-N 445.451 1.754 30 10 IDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NC[C@@H]3CCCN(CC#N)C3)cnn2c1 1650833756 GZBGBCNLHXZGQA-INIZCTEOSA-N 441.536 1.762 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2ccc(Br)cc2CC(=O)OC)nn1 1655733071 UCGVQKPXQGDUFI-UHFFFAOYSA-N 429.296 1.421 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)C1 1665314277 KCGFWTCDVVEZNG-KRWDZBQOSA-N 445.568 1.571 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)cc1 1673398724 PZKBZAZGOYWCDJ-NRFANRHFSA-N 444.513 1.845 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)Cc1ccc(OC)c(F)c1 1673912712 IPNCOSUOYRXGGM-QUCCMNQESA-N 442.491 1.986 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c(F)c1 1682200201 CGOURZLMAFDWQH-MRXNPFEDSA-N 444.488 1.764 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1684245974 AKKHFTCSJZOAOX-HZPDHXFCSA-N 425.526 1.946 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1689847542 BQGNZZHKDQFAJU-QMHKHESXSA-N 435.532 1.199 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1689991206 YBQQOYBVEHCXQP-ROUUACIJSA-N 432.550 1.004 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)COCC2)[C@H]1CCS(=O)(=O)C1 1689996383 HYSAVYBSTIRVSA-FQEVSTJZSA-N 444.557 1.562 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1690120274 ONPARRIBOCDFEX-UHFFFAOYSA-N 447.543 1.544 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690715460 LZRVVBPBAWKJSF-MRXNPFEDSA-N 445.611 1.007 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCCCO 1692535783 FCBMDIUPOJNOKD-UHFFFAOYSA-N 440.552 1.562 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1693812103 WSJARYMIESUHRT-TWRKSUKDSA-N 430.509 1.660 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCOC1 1696647290 OJNVLCVQLHWZIL-QGZVFWFLSA-N 445.545 1.779 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705569091 ZENKAYNTOPMEKV-GHTZIAJQSA-N 432.546 1.349 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1(=O)=O 1705629954 BACBIDNURIJDIB-GOSISDBHSA-N 434.566 1.193 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(C)CCO[C@@H]2C2CC2)CC1 1705634611 DARPAARINSJVCH-NOXFTYBFSA-N 431.581 1.963 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705738473 YZYSNUOSPBBNHE-GOSISDBHSA-N 444.561 1.733 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1705835464 LODUHXPWFFICEE-FQEVSTJZSA-N 435.550 1.509 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1705876328 VEWUHCFHSRZZST-MAUKXSAKSA-N 438.488 1.957 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 1705894843 MSGPPAYVKBBRNI-INIZCTEOSA-N 440.504 1.789 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1C 1707542651 HUULVDSRUOGTDW-YADHBBJMSA-N 428.512 1.983 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1711074111 UEEMNWFEEDYKBJ-MOPGFXCFSA-N 445.545 1.494 30 10 IDEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1712386276 WHJNDKKTBDMXTD-SFHVURJKSA-N 447.561 1.618 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1712878314 CCUXAARWSMRHGN-DLBZAZTESA-N 428.518 1.096 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1722406292 MUHSVJWAHKRFAY-UHFFFAOYSA-N 443.504 1.289 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCCS2)CC1 1722442153 ZGYDZZGCZHMMRZ-NRFANRHFSA-N 432.594 1.668 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722477234 DAXODEOCNMHTIZ-SGMGOOAPSA-N 448.387 1.801 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722495361 GXKAAVPKZJUHBA-NUJGCVRESA-N 446.939 1.926 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722523522 XTTPSKZLKMRXJD-HNNXBMFYSA-N 445.611 1.055 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722698768 LZEXXXLFYYFSLS-BZUAXINKSA-N 439.582 1.122 30 10 IDEE CC(C)NC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1723652674 UBEHFTNRKZOSRG-CQSZACIVSA-N 435.554 1.368 30 10 IDEE CC[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1727745161 PMAKCFOYWABHFM-PBHICJAKSA-N 434.522 1.503 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1730949812 RVXGDDPUZDPDJH-MXBUBSDBSA-N 446.596 1.979 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC2CCS(=O)(=O)CC2)CCO1 1731186876 HMDPIIIDLXKDLW-QGZVFWFLSA-N 433.509 1.562 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740580518 AKXQXOTUDQVTFA-QGZVFWFLSA-N 444.923 1.226 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1740655416 BEJNGAFEVSCQPA-IBGZPJMESA-N 428.514 1.688 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740737310 HJNRYOWKYKMLMY-RYUDHWBXSA-N 426.271 1.537 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740953845 SMBCKBHSHYEZIB-KSFYIVLOSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740960305 PCKXAYQLVFFIBP-QGZVFWFLSA-N 439.495 1.422 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740991758 CXMGJYPNJCLIDQ-SJORKVTESA-N 439.582 1.268 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)C 1746334860 GSZGWKGOUSODIL-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(N)=O)CCCC1 1747194300 YUNTXGXWBVEUPQ-UHFFFAOYSA-N 438.536 1.454 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H](C)C#N 1748291656 CUSNFQVDTJQXOW-LBPRGKRZSA-N 426.930 1.752 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1748640306 SLWHFKCEVVIKRR-BZSNNMDCSA-N 444.605 1.793 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)C)c1 1748692960 UBMDGAGMZZJWMB-UHFFFAOYSA-N 448.531 1.650 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748809146 JRDMQKQTAGDEOZ-ICSRJNTNSA-N 427.574 1.914 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1748892034 IBMAVVAGTXWJDN-MSOLQXFVSA-N 432.546 1.186 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(N)=O)cc1 1748968176 CYIUZOXEMOFMAQ-UHFFFAOYSA-N 425.493 1.025 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2csc(C)n2)CC1 1748971442 PSLBXSAZMRQNIU-UHFFFAOYSA-N 429.594 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1749005283 URAGSYPGQLDFMN-PMACEKPBSA-N 443.640 1.783 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749269740 VKLWEBQSKTVKRB-MRXNPFEDSA-N 431.928 1.745 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749331010 BKQKUIIISZENOA-HXUWFJFHSA-N 447.517 1.805 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@@H]1OC 1749598178 SQMVYBRHZOMSHP-QAPCUYQASA-N 433.509 1.696 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H]1C 1749655383 JNEBUMNBFHFAGN-JKSUJKDBSA-N 446.577 1.732 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSC[C@@H]1C 1749668896 GASVRWNLMHZWDB-INIZCTEOSA-N 442.593 1.696 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC(C)(C)CN1CCOCC1 1749670516 SIMRQTVULQYVDP-GOSISDBHSA-N 434.585 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](COC)C1 1749736425 ISICOVRVVKODSU-INIZCTEOSA-N 441.579 1.086 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1750204485 DFIMHYRBKLCMQJ-CQSZACIVSA-N 429.424 1.629 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCN1CCCO 1750645059 FUGQKGLACJFKTD-FQEVSTJZSA-N 438.580 1.842 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)cs1 1751762691 GIKUKXGKMUMJAB-ZDUSSCGKSA-N 438.579 1.169 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1760184700 KVLMACLAWFTXJK-MRXNPFEDSA-N 432.502 1.337 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1760203350 BFPMRPQYLAFAOJ-UHFFFAOYSA-N 448.495 1.160 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1760830859 OESGSMNTMQYSPW-UHFFFAOYSA-N 448.535 1.588 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1767230653 ALUKFIUVLHBGMA-SFHVURJKSA-N 447.561 1.741 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1767641082 DBFJWTAMHYRWAU-AWEZNQCLSA-N 445.549 1.036 30 10 IDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1767943483 XOTYIGCFGRXZHY-NVXWUHKLSA-N 433.557 1.904 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)F 1769880931 GPFQAIPUXQGVPR-GFCCVEGCSA-N 440.838 1.717 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1771223372 VRVILIPAMRGEHM-KXBFYZLASA-N 428.493 1.738 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1771305157 UQHBCWPRMVHVNM-YHDCXSKOSA-N 448.568 1.230 30 10 IDEE C[C@@H]1Oc2ccccc2N(CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)C1=O 1851469716 UKKURSBNJVTSHP-KRWDZBQOSA-N 435.484 1.433 30 10 IDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1854535801 VYHBICKNGDAPNK-UHFFFAOYSA-N 434.424 1.683 30 10 IDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)c1C 1855931888 JKKNYZFPPJOVTF-SFHVURJKSA-N 432.546 1.268 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1856412619 UMAXLIFKOJLTGE-ZWKOTPCHSA-N 432.546 1.450 30 10 IDEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@@H](Oc3nccnc3C#N)C1)CS2 1891283874 JLMROYUEMSCZNK-LSDHHAIUSA-N 426.502 1.629 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2255675601 DDKCOAKIFBAXLO-HNNXBMFYSA-N 437.346 1.423 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2255692600 BXIRTUBZUNDGLV-ZDUSSCGKSA-N 435.334 1.196 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2255876035 JDXIIBROSXNTDD-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)CC1CC1 2267269923 IKEIOYJEXVITKT-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1B1OC(C)(C)C(C)(C)O1 2267506619 AURSCRRUXZMEHN-GOSISDBHSA-N 440.353 1.350 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516393 CWPFMZZULYSKQE-RTBURBONSA-N 441.337 1.823 30 10 IDEE Cc1c(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267530400 ZOQCUFGKEIVECA-PEBXRYMYSA-N 446.357 1.767 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N=c1[nH]nc(CNC(=O)OC(C)(C)C)o1 2267573602 LESGODBVUDVXQN-UHFFFAOYSA-N 447.301 1.406 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268654036 UTFBAZHJNSFGLB-GOSISDBHSA-N 446.353 1.756 30 10 IDEE C=CCN(CC(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270527543 LCKWLTBPBDGRTE-AWEZNQCLSA-N 438.424 1.835 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2315527863 AJGGYBYDANDKKR-ZIAGYGMSSA-N 434.346 1.752 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc2c(c1)OCCO2 2330785719 VYMYDHUPIOWXET-UHFFFAOYSA-N 447.517 1.859 30 10 IDEE C[C@@H]1C(=NO)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1C 2344455672 WKSFGDGVGSBZHS-JMERFSKESA-N 425.482 1.901 30 10 IDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)c1 20527469 UXYJXZGIEZLRHY-SSDVNMTOSA-N 427.490 1.561 30 10 IDEE CN(C)C(=O)c1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 96348372 LACPHGQCKXTXLR-UHFFFAOYSA-N 439.537 1.954 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 109937324 MSWCPJKQSRNDKC-HNNXBMFYSA-N 427.486 1.263 30 10 IDEE C[C@@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409884063 DPQGNVCPVHMQQT-XJKSGUPXSA-N 428.294 1.882 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)cc2)CC1 427100589 LYNWSCYMNWJGQT-UHFFFAOYSA-N 438.506 1.434 30 10 IDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(C)(C)C)s3)c(=O)n2C)CC1 431223816 KYLCZWUCESUQJL-UHFFFAOYSA-N 444.626 1.473 30 10 IDEE C=CCn1c(Cc2noc(-c3cc(NC(C)=O)ccc3O)n2)nnc1N1CCOCC1 436906703 DUZFODXMGKGHGL-UHFFFAOYSA-N 425.449 1.606 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCN(c2cnccn2)CC1 447666540 UIGDYQNJZDQOGU-UHFFFAOYSA-N 428.518 1.410 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)cc1Cl 473457217 ZQSBFXPKFRVDBF-IRXDYDNUSA-N 433.873 1.917 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 478847499 FWCJGVQHCIHKDB-RBUKOAKNSA-N 438.549 1.978 30 10 IDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 483685354 UETYENPSEQCXAE-UHFFFAOYSA-N 437.460 1.950 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 515313890 GSMXNJLUUODKEF-AEFFLSMTSA-N 449.581 1.305 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 549279087 FBEGCSNAGFDCMF-GJZGRUSLSA-N 426.587 1.596 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 573508825 XPRBAGOWFXALKG-FQEVSTJZSA-N 445.612 1.321 30 10 IDEE COCc1nc([C@@H]2COCCN2S(=O)(=O)c2cccc(Br)c2C#N)no1 577546635 XEPGOQPUANYSRN-LBPRGKRZSA-N 443.279 1.612 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1C[C@H]1CCCO1 610487219 JGFPGICRPULONB-USXIJHARSA-N 441.553 1.833 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 642710644 UEUYTNSXBXSCJO-UHFFFAOYSA-N 437.508 1.905 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cn2c(C)c(Br)c3ccccc32)CC1 729257151 UMWVLMACUMGTLF-UHFFFAOYSA-N 445.361 1.996 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(F)c1OC 730810746 UONBGIXGDHTQMJ-LLVKDONJSA-N 440.312 1.408 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(C)C)c2=O)cn1 735068864 GZKZVYKAEALNSX-UHFFFAOYSA-N 427.574 1.734 30 10 IDEE COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)c1ccc(C#N)cc1 740178110 HZBYRHNQMGPRQO-UGSOOPFHSA-N 432.454 1.691 30 10 IDEE CCc1c(C(=O)O[C@H](C(=O)OC)c2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754347624 SYTAFCHYLBYRRZ-KRWDZBQOSA-N 436.424 1.137 30 10 IDEE COc1cc(N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc(OC)c1OC 758937911 ZOGBIARWGHYZRR-UHFFFAOYSA-N 432.502 1.558 30 10 IDEE CCc1cc(C)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 768134846 NBGUGAUZIQCICK-UHFFFAOYSA-N 445.497 1.712 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(OC)c1 777692753 QVPGQZJSNFBBJF-ZDUSSCGKSA-N 441.506 1.846 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 780179666 YLAFIHDSCOYLMG-JOCHJYFZSA-N 435.521 1.652 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ncc(C(F)(F)F)s3)nc2)CC1 788420041 QRDOIBSVLSLIKZ-UHFFFAOYSA-N 434.469 1.939 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)n1 790108142 VGSARSRGZPAZMR-UHFFFAOYSA-N 433.468 1.129 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802571360 WRQMUAURBOCOND-YCRPNKLZSA-N 445.545 1.862 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 808717744 MIIGFDAZKHNKFD-UHFFFAOYSA-N 441.469 1.919 30 10 IDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC)[C@H]1CCS(=O)(=O)C1 812042506 FCDALAJNTKIIEI-HNNXBMFYSA-N 440.529 1.322 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(c2ncccn2)C1 917380354 ZOWOHAQMSSVBQP-HNNXBMFYSA-N 428.518 1.081 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1137204889 PNDUGBYRMBGPQK-SJORKVTESA-N 429.583 1.261 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cn1nc(Br)c(Br)n1 1137592086 XOZHUNKQKFZKKM-UHFFFAOYSA-N 446.107 1.071 30 10 IDEE C=CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)cc1 1140346696 WKVVKDRFPMVRKB-UHFFFAOYSA-N 437.905 1.598 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1154702785 SWNXDFAXVDPBHY-VOTSOKGWSA-N 433.452 1.711 30 10 IDEE N#Cc1cn(C2CN(C(=O)/C=C\c3ccc(I)o3)C2)c(=O)nc1O 1159490253 NYXVRAWPJHDKEW-RQOWECAXSA-N 438.181 1.115 30 10 IDEE CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1175401336 UWMZMSNLCJLJBZ-GOSISDBHSA-N 442.520 1.842 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1178757508 SIRSBBSHBHWQDO-QYWGDWMGSA-N 437.562 1.810 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)c(F)c1 1212168320 BTDIIGPJWDLRGP-UHFFFAOYSA-N 430.505 1.873 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1251951980 WLBUYFXLIQSJSQ-GJRWTSMGSA-N 426.539 1.260 30 10 IDEE N#C[C@@H]1CN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CCN1Cc1ccccc1 1265115354 IJUHQFAKINOWBT-IEBWSBKVSA-N 444.582 1.824 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286461697 VPQZCSLDLIAJRL-OALUTQOASA-N 446.596 1.488 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1286465433 NEVCTZAWKVAZAC-GOSISDBHSA-N 434.504 1.253 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1286473808 XVXFYKADPJLXMW-OIBXWCBGSA-N 431.581 1.625 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286507044 UPIMTFWVBROPIE-IBGZPJMESA-N 448.637 1.877 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286555521 YEWAVDGGLUKOEC-JNIAIEOXSA-N 433.553 1.698 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)C1 1286668383 QNINMMAEFSITJY-MRXNPFEDSA-N 440.614 1.795 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1286792509 ZYIBUUJIZAKIHS-UHFFFAOYSA-N 430.484 1.261 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCOCC2)C1 1286811761 HTZAENCVWYXLRI-VQTJNVASSA-N 446.596 1.539 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1288323579 SZSZTLDVKLXPCZ-IERDGZPVSA-N 434.541 1.210 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1299211012 XYFLTCTUIRUWRF-LJQANCHMSA-N 448.531 1.790 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1300430054 GNWFTKMISSJCQK-GFCCVEGCSA-N 426.340 1.769 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCN(C(C)=O)CC1 1300441274 IXFHYHFMHQYCRJ-UHFFFAOYSA-N 445.365 1.941 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1300650298 SKRTZNGZKZCGIN-KRWDZBQOSA-N 440.504 1.555 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H]1C 1300665309 ZAOHAUAXQDQWGT-SFHVURJKSA-N 449.559 1.762 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC)CC1 1300688677 ISJCUAZUSXTWAY-UHFFFAOYSA-N 430.578 1.751 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNC(C)=O)CC1 1300695568 DLFWMMUDCZKDCM-UHFFFAOYSA-N 432.532 1.412 30 10 IDEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1301322986 CEYLTVGIPLBNDP-UHFFFAOYSA-N 427.534 1.812 30 10 IDEE 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CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)NOC)CC1 1644118188 ONVLKVGMVDMWQB-INIZCTEOSA-N 436.534 1.200 30 10 IDEE C#CCN(CC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)C(=O)OC(C)(C)C 1648426331 XNLOZYDYIUNHTM-CYBMUJFWSA-N 437.294 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1653851563 TZCHXZSMPTYUSS-UHFFFAOYSA-N 434.518 1.714 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)cc1 1665876518 OCBDWTBANPOHMR-UHFFFAOYSA-N 435.546 1.915 30 10 IDEE C#CCN(C(=O)Nc1[nH]nnc1C(=O)NC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1673696722 LYWGHAYQUDXTER-UHFFFAOYSA-N 431.497 1.564 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 1686549099 WHCNRECXSZGNKX-UHFFFAOYSA-N 442.541 1.639 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc(Br)cn1 1690025144 GONNTTQEAUAKAG-UHFFFAOYSA-N 441.337 1.872 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1690572008 PWYQOJNKJQZLEL-IAGOWNOFSA-N 447.536 1.791 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690674332 XGCGWTAEKGJSAF-OAHLLOKOSA-N 431.566 1.431 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](C)C1 1690732291 YQQNXIVWQXFYTF-QAETUUGQSA-N 428.555 1.217 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1691001251 FXGLQURIXOZGAO-RHSMWYFYSA-N 448.531 1.703 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CCOc3ccccc3)n2CCCNS(C)(=O)=O)C1 1692846949 SZGCVBJMTJSJKC-OAQYLSRUSA-N 446.577 1.969 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C1 1697060874 UGRXIWUCJZQTJL-CYBMUJFWSA-N 440.485 1.782 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCCOC(F)F)c1 1698483881 AKOYTTWFPJQHLK-UHFFFAOYSA-N 434.447 1.917 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCC(=O)N3)n1CCCOCC(F)F)C2 1698486251 VURUFDIEEBRIKQ-OAHLLOKOSA-N 447.446 1.436 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1NC(=O)CC1(C)C 1705489315 NBGSRCUXGNGZTK-ZBFHGGJFSA-N 443.577 1.611 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)NC1CC1 1705545312 VXYACNMGGHMWHQ-UHFFFAOYSA-N 444.561 1.324 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1705709514 QKGTYEICDVBCPV-UWVAXJGDSA-N 442.582 1.392 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCO2)CC1 1705781777 HSCWIEHOJGLCNS-ROUUACIJSA-N 437.566 1.359 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1705865897 AIDNLZARYNPUFA-HNAYVOBHSA-N 438.575 1.586 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccon1 1705895410 GJTZWLDKEPEOMA-UHFFFAOYSA-N 434.298 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1705899267 MXROZONCYNXLRC-UHFFFAOYSA-N 440.548 1.535 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C2CCCC2)CC1 1705909302 SOOAIMKGYXBXJE-RXVVDRJESA-N 446.596 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)F)CC1 1705934163 CUAZZKBOLYBMSV-UHFFFAOYSA-N 440.520 1.636 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1706029288 GYNTUHRMKVGLMI-UHFFFAOYSA-N 437.504 1.764 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNc1ccccn1 1706880145 PHKUVEIYJVZYLQ-OXJNMPFZSA-N 446.581 1.916 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOCC3CCOCC3)CC2)c1C#N 1707807906 QVGBJPXTKYGTNF-UHFFFAOYSA-N 442.568 1.660 30 10 IDEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CC1 1710296682 ICFADNCXDMZWAX-UHFFFAOYSA-N 436.564 1.171 30 10 IDEE CN(C)C(=O)CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1710977332 BPSDBIDDLTYEQR-AWEZNQCLSA-N 436.476 1.191 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1711406362 DZJNYIKEFDJVCF-UHFFFAOYSA-N 449.519 1.373 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)C1(OC)CCOCC1 1722302207 QDIBCEWKYPPSOV-OAHLLOKOSA-N 425.480 1.689 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722425403 XKYHMFIMYVMGLT-MRXNPFEDSA-N 431.541 1.925 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1722455304 SGHWDCGOVZXQDJ-UHFFFAOYSA-N 434.953 1.655 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722508061 KEEMQMLCPCQXRE-VBEQINLCSA-N 434.537 1.861 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722609737 ZTHZNDNMSRPXMD-BEFAXECRSA-N 427.571 1.629 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722683749 YYZKFKIOEZATNT-JKSUJKDBSA-N 433.490 1.496 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722702791 REVGYCXEEXEKRW-JKSUJKDBSA-N 443.577 1.245 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722703189 WDVQPDZWOJJINA-UWVAXJGDSA-N 443.552 1.422 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1726771585 HNZQXKLMXHABFN-IVFVUYGTSA-N 432.550 1.986 30 10 IDEE COC[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730456326 GFWGWGKIAWSGIR-AWEZNQCLSA-N 436.520 1.957 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1730761119 HWBVXWYUUXVCOM-SFHVURJKSA-N 446.577 1.902 30 10 IDEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740588461 UYYOLMKCWFDCIQ-UHFFFAOYSA-N 440.523 1.478 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1740616621 DHPPQFIBCCBFMW-HOTGVXAUSA-N 447.517 1.142 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1740617074 LIPSFMAJBJURAZ-UTKZUKDTSA-N 436.578 1.747 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1740638446 JJYGVMWSXYMLMD-QFIPXVFZSA-N 445.571 1.120 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1)N1CCOCC1 1740642388 WDVVIUJRVAGKJZ-JOCHJYFZSA-N 446.555 1.547 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NCC 1740667751 OZDFGCPRIWEQSI-UHFFFAOYSA-N 445.593 1.860 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1740671699 MMKDPMMZAKPECG-JKSUJKDBSA-N 427.571 1.132 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740700033 CXRZQKHRUUVLBE-LEWJYISDSA-N 439.560 1.715 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740706606 XXPKULPCWMWWNL-HXUWFJFHSA-N 428.581 1.478 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1740932688 UBMODELWJFPLJJ-RBUKOAKNSA-N 437.610 1.715 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740958756 UHIQOIBASUSLJG-GOSISDBHSA-N 430.553 1.803 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)n(C)c2=O)C1 1740980777 MQZVSKDOOPOYBS-QZTJIDSGSA-N 447.561 1.017 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(=O)N(C)C)CCCC2)C1 1740983365 GWRZHJXYDHPASC-SFHVURJKSA-N 444.580 1.830 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(C)(=O)=O)cc1C 1742249384 CLUVOLATVYXTQQ-IBGZPJMESA-N 434.497 1.634 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOCC2(C)C)cs1 1742591360 GYYFLLBFLZSJGR-QGZVFWFLSA-N 431.566 1.473 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@H]2C1 1748724077 JCNIXYVMVJGYRY-OAHLLOKOSA-N 428.518 1.714 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748818490 BZEQRBHHJMOSSY-KRWDZBQOSA-N 430.559 1.339 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nncn2CC)CC1 1748994796 RPLCNZRKLWEVNZ-UHFFFAOYSA-N 434.548 1.889 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749037137 BFIYNHOZTZEVDG-IAGOWNOFSA-N 441.623 1.652 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC(C)C)CC1 1749666050 FLYJHQXXTDWMNX-UHFFFAOYSA-N 427.553 1.498 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749676160 GVMRZQYQVCWUQA-QGZVFWFLSA-N 445.593 1.095 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCC3)C[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1749681520 CWXDYJDAVNQNAR-WZONZLPQSA-N 446.596 1.543 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCS(=O)CC1 1749725899 WAOMRVDAUJJZEJ-SFHVURJKSA-N 436.603 1.990 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1750005620 CFFJOTUVQWFAIA-JKSUJKDBSA-N 438.529 1.646 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1750521367 SOPKDBQNNMJAKA-RPNZERQGSA-N 447.515 1.627 30 10 IDEE Cc1noc(C)c1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1751952818 NGLHPYSBCLHGAP-UWJYYQICSA-N 430.509 1.895 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760135195 MDYFJXMLIKWOSA-ROUUACIJSA-N 425.537 1.906 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1760175473 KKBYEHXQJJODSA-JTDSTZFVSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1760182366 JCLPKVYVBDKOSS-AEFFLSMTSA-N 431.562 1.648 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760190924 WVKKALRSMKJRQX-FQEVSTJZSA-N 440.573 1.153 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1760192482 JIKXUIWJXAOWDI-IPMKNSEASA-N 435.594 1.488 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)C(C)C 1760201854 KSTAVHVVSFCPCE-UHFFFAOYSA-N 431.544 1.995 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(F)c2)CC1 1760263552 GJYCDHBZOWPVET-RXVVDRJESA-N 443.523 1.953 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1760464768 OLQCPLDSSSKYFX-SFHVURJKSA-N 435.550 1.599 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1760465041 VIZSTBHACVRBJD-KRWDZBQOSA-N 439.513 1.429 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1760529184 YTMAQTNEWONOSL-SFHVURJKSA-N 443.573 1.674 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1761362156 AOIWBJSWYIBCAR-KRWDZBQOSA-N 440.552 1.732 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccccc1F 1764845089 NOIUXOMHBLAFOE-UHFFFAOYSA-N 435.463 1.945 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCC[C@H]2CO)CCOC1 1767424877 KPQJMPVYTWWRAO-REWPJTCUSA-N 446.596 1.907 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CC#N)c1 1767839276 DIQZZRQHDMXKCS-MRXNPFEDSA-N 439.545 1.959 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1770133147 WGDHJQLAQHPXPU-GCJKJVERSA-N 427.505 1.457 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1770751615 IUVPVLRLBMSWCA-STQMWFEESA-N 438.460 1.423 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1770754150 BYIBJGRIYBAUDW-UHFFFAOYSA-N 439.476 1.842 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1771100293 MDQTYCFTSLFVCS-QHAWAJNXSA-N 441.532 1.847 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1772566974 VEYYFSWDDGSGLP-UONOGXRCSA-N 444.458 1.327 30 10 IDEE C=CCN(C(=O)CSCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCN(C)C1=O 1852209433 YZEQTDPRQLBQDK-IBGZPJMESA-N 448.564 1.453 30 10 IDEE O=C(c1ccc(F)c(F)c1)N1CC(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)C1 1853085194 KHVFIYYIEJYPDY-UHFFFAOYSA-N 439.362 1.907 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C(=O)C2)C1 1853632169 FRTXLMDKLZIQQZ-SJORKVTESA-N 434.924 1.447 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2nccc(Cl)c2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642646 UHWNIAPUFICNHB-LLVKDONJSA-N 436.852 1.808 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CC2(CCOCC2)C1 1855952925 CYGKJCKBCFHEBU-UHFFFAOYSA-N 431.514 1.843 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)CC1=O 1856099079 SLMQIIWOUVNOLK-MRXNPFEDSA-N 427.473 1.365 30 10 IDEE CN(CCC#N)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1=O 1856533456 MTEVKWZOEGRKSB-LJQANCHMSA-N 432.546 1.838 30 10 IDEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 1870143128 YLUBRNRLOUFAPE-UHFFFAOYSA-N 430.424 1.999 30 10 IDEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870385031 DVSWTZLUUDSKOR-UHFFFAOYSA-N 433.549 1.474 30 10 IDEE C=CC1(NC(=O)[C@@H]2[C@@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2022908796 VMLPISFTAYHNJH-ILXRZTDVSA-N 441.525 1.009 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247833947 OHDYTNYPFRUOPM-UHFFFAOYSA-N 441.359 1.402 30 10 IDEE C=C(CS(=O)(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247903111 DULSGURHTKGEHW-AWEZNQCLSA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2247908205 PEWXLRAOMASACP-QWHCGFSZSA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCC1 2248401809 OHZDKXRXBXWETL-LBPRGKRZSA-N 438.359 1.891 30 10 IDEE COC[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248445500 MVYLMWGVJKQBPL-NSHDSACASA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255653484 JIKHRTJNLKKIRM-CABCVRRESA-N 436.314 1.679 30 10 IDEE Cc1nc(S(=O)(=O)N2CC(OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255952124 OVJOMFQOYAGQFS-UHFFFAOYSA-N 447.366 1.617 30 10 IDEE Cc1ccc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2264095397 DBFZZLVRMOGYQO-QGZVFWFLSA-N 434.342 1.796 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C=CCN1C(=O)OC(C)(C)C 2267517492 UPOILIATAMYQSI-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NCCc3nccn3Cc3ccccc3)nc2)OC1(C)C 2267547667 MZTZMGGEPVMQIN-UHFFFAOYSA-N 433.321 1.993 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)n1 2267549534 MXAZCUVGSCNRKU-KBPBESRZSA-N 447.345 1.338 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2267561385 OQUWXVKFTORJNE-OIISXLGYSA-N 447.341 1.678 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269073011 FGJORRUIRLVCLA-YOEHRIQHSA-N 441.293 1.564 30 10 IDEE N#CCCN(Cc1ccco1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286040388 NBRLAKXCBCUEER-KRWDZBQOSA-N 435.458 1.705 30 10 IDEE C#Cc1ccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)cc1 2286041806 VXYVVXPMSOETJK-LJQANCHMSA-N 430.482 1.555 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2315522942 KRFRIBOKFLSCSI-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2315607502 WFHYYQOUVHZIHS-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccn1C 2329012557 DTNKVICVYFGINW-OAHLLOKOSA-N 431.566 1.841 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2334263810 KVSFKSNTJUSENN-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccs2)[C@@H](C#N)C(=O)N3)CC1 101442469 YLACLKCNHLRSAV-OCCSQVGLSA-N 427.486 1.835 30 10 IDEE CC(=O)OC[C@@H]1O[C@H](n2cnc(C#N)c2C#C[Si](C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 253492123 OURBYMJWHWPAPA-MUGJNUQGSA-N 447.520 1.308 30 10 IDEE COc1ccc(Cc2nnc(NN=Cc3c(CO)cnc(C)c3O)nc2O)cc1OC 254393531 HGYXNOSBGMJJPB-UHFFFAOYSA-N 426.433 1.533 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)CC1 460222308 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30 10 IDEE N#Cc1cccc(N2CCN(c3cnn(-c4ccccn4)c(=O)c3Br)CC2)n1 549178083 UPJCCAPGPLFFBB-UHFFFAOYSA-N 438.289 1.983 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCCO1 603801198 ZQICWHPKGQOOMN-GOSISDBHSA-N 441.553 1.517 30 10 IDEE CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N(O)[C@@H](C)C(N)=O 642880842 IKKWXPYZMMPKQO-SZMVWBNQSA-N 448.520 1.410 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1=O 674477474 COOCCUULNGTKPT-XDHUDOTRSA-N 445.479 1.257 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730144159 XVFSHROXAIWBOZ-AWEZNQCLSA-N 425.942 1.085 30 10 IDEE CCN1CCN(Cc2ccccc2CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732445710 CKWXGTDTOYQCIM-QURGRASLSA-N 440.548 1.150 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OCc1cccnc1 732705760 GWTCFXPGYATDMZ-LJQANCHMSA-N 435.484 1.806 30 10 IDEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 744007706 QMWJVOITIOKRPL-UHFFFAOYSA-N 433.511 1.666 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746742991 FVTIRGZXHWEMDB-HLNIAZEUSA-N 440.500 1.448 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnc1-c1ccco1 765488011 DMFYFJHXKLNFJB-ZPHPHTNESA-N 442.501 1.849 30 10 IDEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)[C@@H]1CCS(=O)(=O)C1 774261565 ANADEXFCHZBOIC-CEXWTWQISA-N 439.965 1.544 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 774287416 UAAUNKDSYTUASF-QGZVFWFLSA-N 449.577 1.173 30 10 IDEE CC(C)[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 799128012 GFYTWEDPZJOQIZ-NRFANRHFSA-N 445.545 1.179 30 10 IDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)NCCCC)ccc1C)[C@H]1CCS(=O)(=O)C1 799472497 UPKNPBXWJRALTD-INIZCTEOSA-N 441.575 1.728 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCCO2)n1 812442241 WBEPBZUAPVLPKG-UXHICEINSA-N 444.536 1.418 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1=O 874063874 AFBDBBBNDXHKMF-GOSISDBHSA-N 445.563 1.954 30 10 IDEE N#Cc1cn(CCC(=O)NCc2cc(Br)ccc2OC(F)F)c(=O)nc1O 1143176462 BKOWHZHVXWCCEA-UHFFFAOYSA-N 443.204 1.891 30 10 IDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1149175996 FFAGOLLVGINOMQ-DOOKAGJSSA-N 428.489 1.839 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n[nH]2)c1C 1151860417 DFSVZVSWFRQNCK-IBGZPJMESA-N 425.537 1.455 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2CCOC[C@@H]2C1 1153915076 AOKYUBTXWPAOCL-ICSRJNTNSA-N 426.517 1.936 30 10 IDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 1210354686 HDADVJAPEQQKBH-UHFFFAOYSA-N 440.481 1.537 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286350054 TUXPIEFUORVPCZ-HXUWFJFHSA-N 428.581 1.720 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2snnc2C)CC1 1286473679 WARFDQNBFFZUOV-FQEVSTJZSA-N 431.566 1.282 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)CC1 1286646398 QKRRMXFMOZTGNR-SFHVURJKSA-N 433.534 1.886 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1286793280 BRKYQPUDYJYHEQ-MRXNPFEDSA-N 426.521 1.696 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1286831991 GLPBIACMSSBQIA-HNNXBMFYSA-N 427.596 1.204 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286833084 UXGFABDELRPRQE-HZPDHXFCSA-N 441.623 1.594 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCSC1 1287470874 FYCVJMDMTIJUOV-NRFANRHFSA-N 427.578 1.938 30 10 IDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1 1288002138 ORKCQMAFVWXCEM-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1288524247 ANNAEMZVILPLEY-KZNAEPCWSA-N 438.598 1.155 30 10 IDEE Cc1ccccc1-c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290114397 XYJJYUUGSWUTOU-QYPNQAIESA-N 449.515 1.482 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1=O 1295009061 XDPXISBURSCLGP-INIZCTEOSA-N 431.445 1.667 30 10 IDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1298064864 BHWHFAXGJOJWPK-BEIWTESXSA-N 431.514 1.214 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCS1(=O)=O 1300287115 UJTSKJKCUXMBDO-YJBOKZPZSA-N 440.533 1.346 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1300322263 RZFNKCFPXOVVIU-CQSZACIVSA-N 425.942 1.860 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(=O)NCCC)c1 1300334520 NZTBXINECDJDDP-SFHVURJKSA-N 438.532 1.755 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1300394464 RKNBUIIVXONIKU-UHFFFAOYSA-N 425.489 1.425 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300484594 QRBRIVFZHMFTDL-DOTOQJQBSA-N 439.582 1.716 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300495046 CBTVLRSKDKFOLZ-ZRSRNVLSSA-N 436.578 1.612 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1300622226 YNODFADTWZHZHZ-UHFFFAOYSA-N 427.553 1.408 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300755218 OQFKXOLOHADHBK-MRXNPFEDSA-N 427.578 1.429 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301009770 CUZUJCBSZMQCIK-UHFFFAOYSA-N 447.927 1.962 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301057974 XZJMFAOWVGISQD-HNNXBMFYSA-N 427.488 1.498 30 10 IDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301185422 CQMOQZOAFHTYKT-UHFFFAOYSA-N 426.525 1.265 30 10 IDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1301219813 KSXJYKHNWMNTLA-UHFFFAOYSA-N 444.517 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301576147 AGKSMFMKIONFEE-DLBZAZTESA-N 448.501 1.669 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](C(F)(F)F)C1 1301578571 FBKJEVOLHGZNNQ-AWEZNQCLSA-N 433.456 1.652 30 10 IDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CC1 1301704794 VWYUDVFTZOHFTB-UHFFFAOYSA-N 442.520 1.186 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1302195134 LXOKLIMIWSUFBU-GEQKSPFYSA-N 441.532 1.846 30 10 IDEE C[C@@H]1CN(c2ccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@@H](C)O1 1308127629 GUIPNSLQPUSIBA-PZTGFMGMSA-N 432.546 1.109 30 10 IDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1309650602 NHIUXPQNHLKAIJ-BRWVUGGUSA-N 428.576 1.406 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1314784089 PTSWBTLYZYQIOP-FBMGVBCBSA-N 444.446 1.743 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C1 1316146804 ODUVEKHLITWZOE-VQIMIIECSA-N 440.548 1.955 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CSCCS2)CCO1 1316535045 CIUJPAOFOABNOJ-KBPBESRZSA-N 431.547 1.503 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1358885018 BDFHLGGOPHTFDH-INIZCTEOSA-N 433.516 1.996 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1358918642 BNLLANSJGPCQNU-RTBURBONSA-N 437.548 1.886 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358967783 RZTXUQQDKPIMDZ-HSALFYBXSA-N 449.621 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1358997692 AUZRZTPLIFCUJC-UHFFFAOYSA-N 437.500 1.187 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359051309 SFYXEVUREVSCJM-QGZVFWFLSA-N 441.517 1.776 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(CNC(C)=O)CC1 1359297481 SAMVLPPROFDRQO-UHFFFAOYSA-N 426.521 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1359335411 KXXLVEDSVHJXCR-HXUWFJFHSA-N 441.598 1.061 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1359480672 ATKNKBLQMNJODQ-UONOGXRCSA-N 428.522 1.251 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1360472194 YBPMPWLUUYQZPD-ZFWWWQNUSA-N 439.476 1.443 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 1450624649 PNCGSTQHWIDWCX-INIZCTEOSA-N 431.514 1.506 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](O)c2cc(OC)ccc2OC)cc1 1455537866 SMNVEMVCMJARJY-VBKZILBWSA-N 432.498 1.467 30 10 IDEE Cn1c(NC[C@@H](CO)Cc2cc(Br)ccc2F)c(C#N)c(=O)n(C)c1=O 1458376855 BQXJPNVCMHCPBE-JTQLQIEISA-N 425.258 1.120 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nc1 1460955967 BHBDUNWXACCYON-UKRRQHHQSA-N 437.465 1.168 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191786 LZOQVWKCRBLHCK-SGXKBVARSA-N 445.541 1.918 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1472259900 CCYAHDRSICEUCQ-LHSJRXKWSA-N 448.545 1.631 30 10 IDEE CC(C)(CNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)[C@@H]1COCC12OCCO2 1478796697 FCFQUFRMAJBDOQ-ROUUACIJSA-N 429.521 1.955 30 10 IDEE C[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493639352 SXISGUIKEYDTQW-FVGNFYTDSA-N 441.536 1.553 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1N1CCOCC1 1499681837 UPIRXVAEPJDNEN-ICSRJNTNSA-N 437.548 1.452 30 10 IDEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503280994 FOOJYTOFERFDDG-LJQANCHMSA-N 444.561 1.934 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC[C@H]1C 1504500895 IRTOKSOOGZNEQQ-XLIONFOSSA-N 438.532 1.927 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](COC)C2)CC1=O 1504899636 GYIRAFKCJZSMMX-RTBURBONSA-N 438.532 1.784 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507561279 TYVYQPUAIHVMGC-KRWDZBQOSA-N 433.520 1.936 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)nn1C 1507605910 YKFRRYILYRGQSD-UHFFFAOYSA-N 426.550 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1507671768 PCOQCIUUTWAQKY-QURGRASLSA-N 429.484 1.253 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CCN1CCOC 1514376193 FBHZKAAJMIHAAL-FQEVSTJZSA-N 449.563 1.931 30 10 IDEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CC1 1515901825 BXBBSNIDWAHZBR-LJQANCHMSA-N 439.564 1.591 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1517393088 DWIAMTNYZKNVGT-KRWDZBQOSA-N 431.566 1.695 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1518751449 OYHSRJBYXNBXFK-WOJBJXKFSA-N 428.512 1.960 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1535263017 ZHXVQABESLBNLL-UHFFFAOYSA-N 435.527 1.924 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1539011502 CANOSWRGBIVENZ-XLIONFOSSA-N 445.589 1.874 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539211759 KXHDNIIUNNWFIF-IBGZPJMESA-N 439.541 1.749 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1539251279 AIBKHEKAXHFLDA-QGZVFWFLSA-N 442.541 1.860 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1539258557 XXZLNERNUWKISA-GOSISDBHSA-N 429.528 1.749 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)on2)CC1 1539890227 KLYYPSKCWJIVII-KRWDZBQOSA-N 436.538 1.358 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540865728 QDAZZHAIKIWERJ-GOSISDBHSA-N 437.548 1.759 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540870308 JYFOEPGMKYNRCJ-HKUYNNGSSA-N 432.569 1.511 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1541569045 GMJMXBWHYBESSB-MOPGFXCFSA-N 429.569 1.716 30 10 IDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)cn1 1547618765 BUVXLPQAEICMDZ-UHFFFAOYSA-N 427.534 1.952 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)CCn2cc(C)cn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367758 LNBVBMPWZRYIBT-SFHVURJKSA-N 448.449 1.936 30 10 IDEE CN(CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)CC(F)(F)F 1554294250 PMEQXEQGRVVIKD-DOTOQJQBSA-N 441.502 1.843 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CCOCCCO)c1 1555987199 CHPIFRWUFMWQSC-UHFFFAOYSA-N 427.505 1.602 30 10 IDEE N#CCCN(CC1CC1)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1555995156 BKOMKEZFOAESSF-OAQYLSRUSA-N 447.536 1.688 30 10 IDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1559039770 KHYJWRDCVKORCD-CSODHUTKSA-N 433.530 1.519 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](NC(=O)c4ccccc4)C3)CC2)o1 1559560558 NFBLGAOBJDSSMY-LJQANCHMSA-N 436.516 1.398 30 10 IDEE Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c12 1585292036 ASVRTBFCFXVDMY-UHFFFAOYSA-N 435.488 1.936 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1587580454 PXASILCCTYTWET-YOEHRIQHSA-N 429.546 1.721 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC=CO2)c1 1587693292 QYFOJVUHLRGFRE-RTBURBONSA-N 434.500 1.978 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588049968 OOMFTXLEWZKBQJ-KRWDZBQOSA-N 425.514 1.979 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588075122 YDMQWBAFEYKFSU-WOJBJXKFSA-N 443.573 1.893 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1588733084 MICJCPBWHCXOAG-QFIPXVFZSA-N 428.537 1.289 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(OC)CCOC2)CC1 1588871679 MWZRYLKMWHBWJN-QHCPKHFHSA-N 425.533 1.726 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1588871957 TVQSDFIYXKBUQU-UHFFFAOYSA-N 431.562 1.163 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@@H](C)CCC 1589216650 UIIOKPAAVCTOBB-CSODHUTKSA-N 435.594 1.725 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1594430332 LGZYYRLZXOQCNM-LJQANCHMSA-N 447.609 1.966 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCCC2)C1 1595466091 DVJDRELTTVRKMT-UHFFFAOYSA-N 425.493 1.377 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595760484 NKYCQDSMAOXTSA-OAHLLOKOSA-N 447.627 1.253 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1596375729 UTIWATLCTGKHSG-HXUWFJFHSA-N 436.488 1.230 30 10 IDEE N#Cc1cc(Br)c(OC(=O)CN2CCC(=O)NC2=O)c(Br)c1 1611102168 CQWMPWSJQBBFNC-UHFFFAOYSA-N 431.040 1.931 30 10 IDEE C[C@@H]1CSCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613017027 LYMVYGWBUIEHSU-MCYOWCNASA-N 432.550 1.640 30 10 IDEE CC[C@@H](C)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1/N=CC=CC1=O 1613206386 GAUWWCSZIZOHII-UHIWFOFYSA-N 428.537 1.915 30 10 IDEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1619648387 FMNYEMUXADNTEZ-CVEARBPZSA-N 425.555 1.362 30 10 IDEE CCO[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1CNC(=O)OC(C)(C)C 1619818487 BEYXBINQLWQJDF-IAGOWNOFSA-N 438.550 1.589 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1619989617 HTJQWTSATJSETB-IIMDRIAPSA-N 438.548 1.943 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1620041464 JKDLEDHWTZMPKP-MSOLQXFVSA-N 428.493 1.717 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](c3nnc(N)o3)C2)CC1 1620460363 PYCMDGJEMDGOSH-WMZOPIPTSA-N 427.484 1.379 30 10 IDEE Cn1ncc(I)c1C(=O)Nc1ccccc1-n1ncc(C#N)c1N 1623696976 IAPAVIQZUQRVTN-UHFFFAOYSA-N 433.213 1.917 30 10 IDEE CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1626182957 NZPGMBAMXLAXGD-ZDUSSCGKSA-N 431.511 1.057 30 10 IDEE COc1ccc([C@@H](CN2CCCC2)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1630881203 DFKKTWZTNKAVGO-OAQYLSRUSA-N 442.541 1.798 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)nn2)C1 1635638678 YKUVIRGUAQKTKR-SJORKVTESA-N 429.525 1.662 30 10 IDEE CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463178 CGBYGAFFTHQXMT-HTQZYQBOSA-N 447.348 1.354 30 10 IDEE COC(=O)C[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1637937338 GDJKRXGEXFEECL-XOBRGWDASA-N 430.486 1.215 30 10 IDEE O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)[C@H]2N1 1639054174 ABJVZWIHYIWHIB-RYRKJORJSA-N 446.529 1.616 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 1640703738 GSRYHQTVDJMENL-FQEVSTJZSA-N 433.917 1.889 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C[C@H](O)c3cccc(C#N)c3)C2=O)cc1 1644583624 QIPXJOXHHWGZSH-WMZHIEFXSA-N 436.468 1.526 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CC1 1659022080 VELHKEYGVYHQBQ-UHFFFAOYSA-N 426.498 1.535 30 10 IDEE C=CCn1cc(CNC(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)nn1 1683483390 YIHLYXKAJNXZMM-OAHLLOKOSA-N 428.497 1.551 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1687206044 KQHPXJXGEBLGKZ-AWEZNQCLSA-N 433.452 1.760 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnnn1C 1689860788 HKSJJCCXURGNEQ-IBGZPJMESA-N 433.564 1.278 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1689861598 XQCZRXZZRLDUKP-IRXDYDNUSA-N 437.552 1.359 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1689998173 DRIXOPSSWRPCHD-INDMIFKZSA-N 434.562 1.738 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1690003184 GFKDCRXGQZMHSJ-JOCHJYFZSA-N 431.537 1.870 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1690154492 PAIISUBTVGEDEG-UHFFFAOYSA-N 438.561 1.376 30 10 IDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1690273371 TXLRIVPNSJNTFM-UHFFFAOYSA-N 440.957 1.423 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1690667296 YHUFHKCLNXFWRV-UHFFFAOYSA-N 433.516 1.710 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)cc1C 1693118816 DZBPGSHPXZITDP-SFHVURJKSA-N 437.504 1.402 30 10 IDEE CO[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(F)(F)F 1697142106 OPXHPYTVXFKRAN-OAHLLOKOSA-N 438.410 1.632 30 10 IDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 1697443569 CDOODWZUEOBPDD-GOSISDBHSA-N 438.513 1.892 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1697781289 IGBJSZFDODQEEI-MKXGPGLRSA-N 447.536 1.908 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCOCC(F)F)CC2)nc1 1698489466 RMRMTSQGBTVXNZ-INIZCTEOSA-N 433.463 1.657 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccn(C)n1 1705500653 RHGBZONPIVBOOG-HXUWFJFHSA-N 432.576 1.883 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1705562538 FDVGTUMVNCSFSW-MRXNPFEDSA-N 446.529 1.726 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1705571671 FIVVSKMQBPZLIW-IBGZPJMESA-N 437.610 1.563 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C 1705581508 DDRAQVPSKDOEFA-UHFFFAOYSA-N 442.564 1.944 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1705583184 RYMMMXRHWNMUBH-QUCCMNQESA-N 443.548 1.695 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705663905 SAMGKWILWAZDTJ-UHFFFAOYSA-N 425.624 1.847 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1705737589 VWGKPNKKXQXSJY-ZACQAIPSSA-N 439.582 1.438 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705846965 ZOOSWCKIVBUTAE-OALUTQOASA-N 447.609 1.966 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705903644 ZPFLQQVLDCLPTJ-GOSISDBHSA-N 445.568 1.202 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCO[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909541 ZWOMADGXBRSALU-YESZJQIVSA-N 448.568 1.966 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(OC(C)(C)C)CC1 1705928025 LETCTFPGWOBQLI-UHFFFAOYSA-N 441.598 1.801 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1710308509 HXROXHJMIVTNKI-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1712183410 OTLFGOOHPSNFHY-IERDGZPVSA-N 428.468 1.430 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1712884099 GMELGYOSPZQGSK-SJLPKXTDSA-N 433.509 1.562 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1722295734 LLJHNJAIEPOCOL-MJGOQNOKSA-N 429.546 1.782 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CC2)CC1 1722447133 FUHUHIWYLAHUAN-KRWDZBQOSA-N 449.577 1.063 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCCN2CCOCC2)CC1 1722447587 MUIWFSHAANONMU-UHFFFAOYSA-N 444.624 1.945 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722495284 WOEHIHQVIRGOBM-QRQLOZEOSA-N 427.553 1.574 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1722516961 FVGRSBRVZRDMOW-IBGZPJMESA-N 445.589 1.942 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722535315 FOAJLMSXUWVCRD-NRFANRHFSA-N 448.593 1.747 30 10 IDEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722536678 PYUSTWDWTQDLGN-SVMVAKDDSA-N 433.553 1.626 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1)C1CC1 1722650581 FTWJWBJOYXZWBO-MRXNPFEDSA-N 437.566 1.813 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1722680895 COZPAQHIVIYYCD-JKSUJKDBSA-N 445.611 1.003 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ncc(Cl)n1C 1722728228 SRHPUWTZANGMAQ-UHFFFAOYSA-N 436.929 1.359 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722772362 VGDFCBBXYRGDBU-MRCUWXFGSA-N 441.536 1.204 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCCO 1729397060 PZPHBQSNXWFRAA-GOSISDBHSA-N 433.534 1.087 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1729485979 HDNLASXAPFDBLG-HNNXBMFYSA-N 434.447 1.583 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1F 1731142680 VIQWMPWGHCVGQV-PBHICJAKSA-N 433.509 1.551 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CCOCCCO)cc1 1731180573 GNJBZTPAPAJUJS-UHFFFAOYSA-N 438.532 1.807 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740571154 KWQJTLFCLLALLS-QGZVFWFLSA-N 436.582 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1740638561 NXFPRVNRHRQTAI-KKSFZXQISA-N 430.505 1.300 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1740732257 WZJMLPLHQOHGPA-WIYYLYMNSA-N 444.561 1.355 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1740882840 ZULRAOFPPCEVSH-NRFANRHFSA-N 437.508 1.215 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1740932474 OUSNMZVLISOLPG-SFHVURJKSA-N 447.565 1.131 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1740951141 QIAPYMMDYJEMEU-DLBZAZTESA-N 430.553 1.600 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1740964459 PHFVVRXCYHIBQF-JOCHJYFZSA-N 427.505 1.785 30 10 IDEE CC(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1741410705 RVNVLMPLZMTPAR-ALARNLJQSA-N 430.509 1.517 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1748752503 YEPNUTAKCIAYKP-OALUTQOASA-N 437.610 1.531 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1748756763 VEIBEQOFICQIRV-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1748811895 NMDPXURUXNSHFY-MRXNPFEDSA-N 426.502 1.352 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1748814756 IXLDWOCXIHLUAN-DOTOQJQBSA-N 449.483 1.182 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1748950082 DVZDNONCHDETCB-UHFFFAOYSA-N 433.314 1.424 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)CC=C)CC1 1748984256 OLYLXPCWFFAMFI-UHFFFAOYSA-N 429.546 1.310 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1748989523 MXBKMJSPHACTFB-IBGZPJMESA-N 437.548 1.679 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749043052 CWZOUBDYJPJIJQ-LJQANCHMSA-N 440.577 1.818 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1749114315 ABGYJQAPHPSFAM-IEBWSBKVSA-N 432.569 1.846 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1749368411 HZXCWJYWUANDBU-INIZCTEOSA-N 427.571 1.440 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749434579 XLBXVWVTSRAJCN-NRFANRHFSA-N 429.525 1.181 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1749475944 VAIOWFOSTHUZNC-HNNXBMFYSA-N 428.522 1.368 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1749489373 UHIMXFKOFSKLMX-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749664293 JNRGZYZVTGXPLF-KRWDZBQOSA-N 425.537 1.328 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749761147 VTJCEVNCCCYSHQ-SFHVURJKSA-N 445.593 1.730 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC(C)CC1 1750154957 VQSNLOZKSVPYJC-ZCNNSNEGSA-N 432.569 1.853 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1750385127 CRGKSKKCRAUXDY-CABCVRRESA-N 425.459 1.853 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1750387095 RALPUJAUQZLLTF-ZHALLVOQSA-N 442.495 1.384 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1750966064 BHIVMEZRLFTNTG-HKUYNNGSSA-N 445.568 1.036 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1760098429 SJNFYVRUWPAMDG-DLBZAZTESA-N 441.561 1.639 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1760105327 NVWPBGXYHMESNP-SJLPKXTDSA-N 433.520 1.637 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cnn(C)c2C)c1 1760127412 YNTCVRJSDFWZLH-UHFFFAOYSA-N 448.531 1.563 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760130634 KNGUHLWFRFQHTG-TXPKVOOTSA-N 425.555 1.076 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760144964 FUQGEGUSROSIQR-FPXQBCRKSA-N 425.555 1.074 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760188678 QFLDTKSVDSWWAT-RBUKOAKNSA-N 437.610 1.877 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1760202017 QJAYMPSCUNXVEY-GOSISDBHSA-N 445.527 1.514 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccn(C)n1 1760218471 HNFQPFYZDZKFMD-UHFFFAOYSA-N 429.532 1.697 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCC(=O)N2CCCCCC2)CC1 1760256920 LUMSVYMQMAYQFF-HXUWFJFHSA-N 446.596 1.550 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760357072 DDNLXDAFNHJYHX-HKUYNNGSSA-N 448.593 1.575 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760440313 HBZITZWUXXJSPV-ZWKOTPCHSA-N 435.594 1.889 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1760478992 BDFJIMFMFJSIDB-GOSISDBHSA-N 442.545 1.728 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 1760554439 DQRUCPDODHVEAD-OAGGEKHMSA-N 428.580 1.160 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760761654 ZFQRUKVBAOZFEX-FZFLATATSA-N 441.536 1.204 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(N)=O)c2)C1 1761542385 HAEYWZWORDTVRR-QFIPXVFZSA-N 432.488 1.778 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1762268554 WKBHTZQDAXQPNP-MRXNPFEDSA-N 427.509 1.814 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1767332113 MCISHNJTMROUIF-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1767663302 NYOAFKUMDCCRLC-XMMQZVGTSA-N 441.536 1.425 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCCO 1768633211 DNKKYDHWZPBJCZ-PMACEKPBSA-N 437.548 1.584 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1(C)C 1769117242 YXUIQHVWDQZQSO-CVDCTZTESA-N 440.548 1.657 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1770190314 XWZNLTJOCYSOMW-IRXDYDNUSA-N 437.566 1.567 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1771122401 ARJSXIHEIQFFAE-JOCHJYFZSA-N 434.504 1.410 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 1772790413 CEQSPCGGOZZPEG-INIZCTEOSA-N 439.449 1.744 30 10 IDEE N#Cc1ccc(C(=O)Nc2n[nH]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 1851423304 RFFYMNDNQQCHKN-UHFFFAOYSA-N 431.456 1.980 30 10 IDEE N#Cc1ccc(CC(=O)Nc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n[nH]2)cc1 1851446006 VOPAOKLLCOFBEX-UHFFFAOYSA-N 445.483 1.908 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1854249128 LDFJYDKWISFKCE-QZTJIDSGSA-N 436.509 1.342 30 10 IDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@@H]2C)c1 1854695311 ZKRRWYYQTTZMJW-HNNXBMFYSA-N 427.482 1.937 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)CC1=O 1856806355 ZSTJJPFEWLZWPO-RDJZCZTQSA-N 436.530 1.866 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3OCCc4ccccc43)C2)CC1 1857062040 CZZQSXFNEMSLDN-PXNSSMCTSA-N 431.514 1.241 30 10 IDEE C=CCOc1cn(CCOCCO)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870386847 GZSOJSYQRWOAIJ-UHFFFAOYSA-N 427.545 1.740 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545518 OBAIJSDHTDFZJD-UHFFFAOYSA-N 427.528 1.911 30 10 IDEE COc1ccc(OC)c(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874341871 UQYRIIHILFYAKD-UGVMZYNRSA-N 433.534 1.986 30 10 IDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)cc1O 1874434457 GFRDNFPYOXAOOU-SSDVNMTOSA-N 448.549 1.948 30 10 IDEE COc1ccc(OCCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890276291 WIUFNFWLFDVHMR-UHFFFAOYSA-N 429.561 1.723 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1890418423 DAVOJKJFOKTGPB-UHFFFAOYSA-N 441.544 1.775 30 10 IDEE C#CCO[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 1891838783 WXTBOEJGBDGKMC-ICSRJNTNSA-N 433.530 1.439 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2056831616 VJLSPUGQWJGNFY-UHFFFAOYSA-N 439.372 1.919 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128733174 VUHIHJQDFPYQDX-MSOLQXFVSA-N 446.353 1.972 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(Cl)c(C#CCO)n1 2232370138 BPIVMFNJSTVLQY-UHFFFAOYSA-N 433.873 1.507 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)n1 2255613267 XYVMERPLBHBEDO-KRWDZBQOSA-N 425.342 1.366 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)n1 2255635619 IWVJSLKZVODLPV-UHFFFAOYSA-N 436.318 1.483 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255703192 PSTRCZYCHKWGOS-WCQYABFASA-N 429.248 1.986 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255830198 BMXMKBORAWRWFR-NSHDSACASA-N 448.251 1.894 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@@H]1OCc1ccccc1 2255941775 KDBXGROSHGMSDP-ROUUACIJSA-N 447.366 1.745 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2256621484 VJENJTQIIQQZFX-UHFFFAOYSA-N 433.314 1.691 30 10 IDEE Cc1cnc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2267117081 WWVNELIWQSCGJV-JKSUJKDBSA-N 447.341 1.399 30 10 IDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2267157668 ZTAGLOANSYZGIM-UHFFFAOYSA-N 442.243 1.745 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2267556774 YZZKTOWLFNFIPS-OAGGEKHMSA-N 448.325 1.943 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267558603 DPACTIFJMYOXRY-UHFFFAOYSA-N 449.313 1.126 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267597499 QUWWWSTWCVITNO-UHFFFAOYSA-N 446.353 1.945 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267872362 SNMFNOWBUMUNEB-GJZGRUSLSA-N 444.341 1.857 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCC[C@@H](O)C(F)F)cc2Cl)OC1(C)C 2282305233 VZXJISBVXKHOHX-SECBINFHSA-N 431.719 1.995 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2298736324 HMKYZXUAMLUTLA-OXPBRNASSA-N 426.319 1.021 30 10 IDEE Cc1scc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2303616337 ZOEAMVCXWLEUDN-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NCCOCCN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2304824333 ZOEITBVTQHMWKJ-UHFFFAOYSA-N 425.310 1.895 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2315529339 UFDSKLOEOPYAHI-KGLIPLIRSA-N 434.346 1.610 30 10 IDEE O=C(O)C=CC(=O)[C@@H]1CNCC[C@@H]1NC(=O)c1ccc(I)cc1 2328239592 ZEZHPTYOGSSQMY-OLZOCXBDSA-N 428.226 1.209 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2341159286 UMEUWQXAZUDJOB-OFQRWUPVSA-N 446.357 1.847 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 27901343 JKWNBKMNRGPWNO-LJQANCHMSA-N 430.549 1.287 30 10 IDEE O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 97061161 NAIWVRCBVGVQSG-GOSISDBHSA-N 437.462 1.744 30 10 IDEE CN(C)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254371899 HWZDHWODRQMPTN-CABCVRRESA-N 425.532 1.609 30 10 IDEE C[C@@H](C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1)n1cnc(C#N)n1 409676431 RVYGOBKCKYJGNM-VIFPVBQESA-N 433.213 2.344 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1 437645851 LJBKKSJXIJMCRW-UHFFFAOYSA-N 437.566 1.215 30 10 IDEE C=CCCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 448378732 VHYNOYLSEVPUET-UHFFFAOYSA-N 425.507 1.127 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1)C1CC1 461808050 GKZMZJZOLXXVQR-IAGOWNOFSA-N 425.555 1.335 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 467416352 BASFZZWMZYZVJY-UHFFFAOYSA-N 439.497 1.091 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 478850869 FFDLCEXJDOWSKN-UHFFFAOYSA-N 427.501 1.308 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(S(=O)(=O)C(C)(C)C)CC3)cc2C1=O 495155609 ZOXWPWYUMOVJLL-UHFFFAOYSA-N 433.530 1.791 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]2CCCO2)c1=O 505700921 SJUWZGABCHQSBJ-HNNXBMFYSA-N 428.558 1.639 30 10 IDEE C=CCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508491362 SOPQKTOJXLEAQW-UHFFFAOYSA-N 435.513 1.909 30 10 IDEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508861040 AORUJRKBDBPYST-UHFFFAOYSA-N 446.577 1.393 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 508885802 UCQJCXOXMQLHTF-YQVWRLOYSA-N 447.609 1.619 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 508918143 LMSSXLKJIIXWID-HNNXBMFYSA-N 438.579 1.185 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 508965567 WQINEVQIHLADLH-RBUKOAKNSA-N 431.562 1.866 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 508998055 BVRYTJDFTAUADF-UHFFFAOYSA-N 435.536 1.784 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(CC(C)C)cc2)c(=O)n1C[C@H]1CCCO1 532032539 NHDJRVPYTPHAEK-GOSISDBHSA-N 425.554 1.536 30 10 IDEE CS(=O)(=O)Nc1ccc(OCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 538016354 BSFIVRMJTZJJTR-UHFFFAOYSA-N 429.907 1.940 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 538252924 XQCJXYCJSUXTML-INIZCTEOSA-N 426.496 1.875 30 10 IDEE C=CCn1c(Cc2noc(Cn3ccc(=O)c4ccccc43)n2)nnc1N1CCOCC1 546349208 MMHATGNGEHTPRL-UHFFFAOYSA-N 433.472 1.638 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC(c3nc(CCOCC4CCOCC4)no3)C2)cc1 575549953 OIDRNRMDYKBHMH-UHFFFAOYSA-N 432.502 1.715 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 576420615 YKHSXMSBMJTLEB-QAPCUYQASA-N 438.525 1.968 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 670222193 JRUQCHGMIQPZIA-IRFCIJBXSA-N 448.612 1.957 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 732427398 CZXORHOPIKKZMU-MRCUWXFGSA-N 425.489 1.890 30 10 IDEE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734291526 SWMLJSCIEXXGFL-UHFFFAOYSA-N 432.849 1.623 30 10 IDEE C#CCN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 735040875 XNUXLUZBWFDVIP-OYLFLEFRSA-N 446.388 1.986 30 10 IDEE CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747495340 LVMXQBQYABOELJ-AWEZNQCLSA-N 444.513 1.899 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)[C@H](C#N)c1nc2ccccc2s1 749549187 CBDUJKCCLLFWRH-QBNAXSHUSA-N 427.482 1.898 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)cc1 758584325 PXWAEVHQABQAMW-RDTXWAMCSA-N 441.492 1.834 30 10 IDEE C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760552335 RNEOFQGEVNIFBF-DEOSSOPVSA-N 430.512 1.989 30 10 IDEE CC(C)CN(C(=O)COC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 767638433 XGSQBYGLCWBPPN-KRWDZBQOSA-N 436.530 1.931 30 10 IDEE CC(C)n1ncc2c1C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 772455753 ALTKWZCGTHBTRA-GDBMZVCRSA-N 429.546 1.955 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 774051721 FGLUXEDJTUREGQ-RHSMWYFYSA-N 435.502 1.022 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CC(C)C 781649016 MHZKXGKNPXFYQR-UHFFFAOYSA-N 426.542 1.392 30 10 IDEE COC(=O)N1CCC(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 782783369 KQUCUIFFKVVFME-UHFFFAOYSA-N 430.852 1.683 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 804454620 RQEVNMVVQNHMEE-KRWDZBQOSA-N 433.555 1.413 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 809894150 ZJFZVTNPJRVSRZ-MOPGFXCFSA-N 431.562 1.222 30 10 IDEE COc1cc(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)ccc1C#N 810870372 NCKWRIPBLQGYHN-UHFFFAOYSA-N 431.250 1.089 30 10 IDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812200487 FHSVGTCHEDFBSF-SFHVURJKSA-N 447.517 1.907 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1C[C@H]1CCCO1 837857425 WVRQWAWBZMHSPE-OAHLLOKOSA-N 443.912 1.930 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 913258322 HETFLWWOZQJZPJ-GUDRCDGBSA-N 439.516 1.969 30 10 IDEE Cn1nc(I)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1153859422 QMTIINAVAVDGDS-UWVGGRQHSA-N 445.261 1.514 30 10 IDEE N#CCc1ccc(OC[C@@H](O)CN2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1196519363 ZZMQZSTXJBGNIX-NRFANRHFSA-N 437.544 1.999 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OC 1213735483 YNDXUWIDSFQNAT-GFCCVEGCSA-N 431.312 1.976 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1214205728 LECLZADAHMCXSX-JKSUJKDBSA-N 425.532 1.172 30 10 IDEE COc1ccc(C[C@H](C)CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC 1225338771 SEVIIIYQCNIQAQ-ZDUSSCGKSA-N 427.461 1.283 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCCc2ccc(C#N)cc2)CC1 1227401855 DQMWKGUEOIMGPT-UHFFFAOYSA-N 441.557 1.536 30 10 IDEE CCOC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1264645169 LNXFASBMCZGNMJ-QOBDKFOYSA-N 440.547 1.969 30 10 IDEE C#CCC1(C(=O)NC[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@@H]42)C3)CCOCC1 1282845971 COUUEGFULPNCJS-CSAJWQFHSA-N 426.557 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCNC(=O)OC(C)(C)C 1286277061 AOGGRNBZGKRIPJ-GJZGRUSLSA-N 442.586 1.651 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1286386796 HQMKFLFVQCOQKC-KRWDZBQOSA-N 425.514 1.664 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1286397451 ZMCGCMGXWLSVLY-MOPGFXCFSA-N 433.578 1.408 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1286407069 BNVHGUUZEMHRSR-IBGZPJMESA-N 439.541 1.307 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1286422704 OKDNOJJVWIKKDK-QFIPXVFZSA-N 425.489 1.303 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1286430006 FMMXLUIVXUPTNF-XMMPIXPASA-N 446.559 1.393 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)C1 1286802773 BMWYCEFTRSRBME-HNNXBMFYSA-N 442.911 1.928 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(NC(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296611777 IDLKCGJHODZIQW-OAQYLSRUSA-N 428.493 1.548 30 10 IDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)c(OC)n1 1300195724 FHQBDHQLQPVXKJ-QHCPKHFHSA-N 447.499 1.979 30 10 IDEE COc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(C#N)o1 1300509965 AETHAEJARZOQRG-UHFFFAOYSA-N 449.515 1.677 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOC(F)(F)F)CC1 1300710545 FTBGVFISBCHZBE-HOTGVXAUSA-N 431.459 1.684 30 10 IDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1300852933 GDAPWMHOVAGRPM-UHFFFAOYSA-N 435.326 1.468 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1300972939 SCCYMCQINUNQPL-UHFFFAOYSA-N 441.536 1.871 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)CC1 1301485090 QOUMFPHEIISNMP-UHFFFAOYSA-N 439.488 1.886 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(C#N)c(O)c4)C3)[C@@H]2C1 1302897057 CNEMHRGDXYXMSE-NUJGCVRESA-N 442.472 1.918 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCCN2CCCCC2)CCO1 1303010531 XGKFBIHRVCGLOL-LJQANCHMSA-N 429.569 1.785 30 10 IDEE CCOc1cc(CNc2[nH]nc(N3CCOCC3)c2C#N)ccc1O[C@H](C)C(=O)N(C)C 1308515293 CGLMGGZHQCOCGO-OAHLLOKOSA-N 442.520 1.984 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cnn3cc(Br)cnc23)c1 1309081721 QKANEMHKUFUWQG-UHFFFAOYSA-N 434.275 1.390 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1315355485 NVKQBNBFMFIFKR-FXAWDEMLSA-N 443.504 1.887 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCCNC(C)=O)C[C@H]21 1316303258 OQNQLBPYTDDQDO-PWRODBHTSA-N 438.532 1.974 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 1318287744 ZRMXNECLBYKEPK-NRFANRHFSA-N 442.497 1.136 30 10 IDEE CCOC(=O)CCN(CC1CC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1357796197 ZXLURVNDBBMTBO-GOSISDBHSA-N 426.473 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1358885900 TYOWCURVFMYEOD-HJPURHCSSA-N 436.516 1.938 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358978033 BTCIDXZBDWHNLO-HXUWFJFHSA-N 432.528 1.204 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)COC)CC1 1359041899 LTXCQHAUVJJSEY-MBSDFSHPSA-N 447.580 1.567 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)C2CC2)CC1 1359046024 AZGCYVMZGJWRGV-QFIPXVFZSA-N 442.589 1.761 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359054798 IHOFNMYPCKFXKB-CABCVRRESA-N 433.534 1.612 30 10 IDEE C=CCCCn1c(COCC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1359219766 BWEQSRWSRBQIOW-UHFFFAOYSA-N 442.568 1.734 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCOCC1 1359300656 HOXBAZKJZGGHIQ-UHFFFAOYSA-N 448.568 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359333568 BXIVKEIVCXRKNZ-GOSISDBHSA-N 447.536 1.420 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1360367730 KRBBVFWPQKYOHE-RJCBAWPRSA-N 432.525 1.558 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)c1 1435194527 KNCAKLRAOBBEDX-UHFFFAOYSA-N 432.889 1.608 30 10 IDEE CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1447615524 YALWLYQVUHCWCR-ZDUSSCGKSA-N 433.465 1.824 30 10 IDEE C[C@H](Sc1nc(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1)C(N)=O 1448832725 BBNSAOWGWQUCRE-BLLLJJGKSA-N 443.554 1.440 30 10 IDEE C=CCCOCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451446062 LRIAASRDIGDDAR-QZTJIDSGSA-N 436.553 1.973 30 10 IDEE COC(=O)C1CC2(C1)CN(C[C@H](O)CC1(C#N)CCOCC1)C[C@@H]2C(=O)OC(C)(C)C 1460754005 MVPYEDNVXNPFHJ-SRXHXZOOSA-N 436.549 1.901 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)C2)c(=O)nc1O 1469870105 URQQYRJTMVWAPA-ZDUSSCGKSA-N 448.405 1.685 30 10 IDEE COC(=O)[C@H](Cc1ccccc1O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1470336765 ZOBSOTRYTGOFHE-SFHVURJKSA-N 430.482 1.984 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)c1 1475711963 TXKHPNCLEFXLTN-WDSOQIARSA-N 436.530 1.724 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1503366850 GVSPKTGDMYTFGQ-LJQANCHMSA-N 437.548 1.882 30 10 IDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCSCCCO)c1 1505319181 WQOXWBUGEFWIFS-ROUUACIJSA-N 426.546 1.647 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1507514371 CSNLLEPDOKCHES-CABCVRRESA-N 432.550 1.096 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507535843 IOOREMGBPMGRBM-HNNXBMFYSA-N 436.965 1.920 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1507680389 ARIPPEGXWKTTPH-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)cc2)CC1 1507733681 HWOOITHEXYTCBC-UHFFFAOYSA-N 440.523 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1507739325 PBZLYSGTOVDFHZ-RBUKOAKNSA-N 440.548 1.644 30 10 IDEE C=C(Cl)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507872204 BDSHGIPEXDXWLF-FQEVSTJZSA-N 440.976 1.329 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1507984068 TUKBCZYFCXODPA-INIZCTEOSA-N 425.580 1.905 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1508058335 XLSJOSWIRWVLLI-LSDHHAIUSA-N 430.509 1.559 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1508112492 PPWWWKYRKLHPLJ-IIBYNOLFSA-N 448.545 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2CCCC[C@H]2C1 1508143797 KJNZFFFIQKNBKO-IBGZPJMESA-N 430.578 1.539 30 10 IDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508163711 DMVMTMLMPCBHIJ-UHFFFAOYSA-N 436.607 1.655 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1510117909 XNYZFLTVTNRSDB-FHLIZLRMSA-N 433.534 1.226 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1517026427 XLPWHELVTRCEKC-DFNIBXOVSA-N 444.561 1.305 30 10 IDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)n(C)c2)C1 1538583097 MTGYMQKMKDGHAQ-INIZCTEOSA-N 435.546 1.924 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539206970 YFJLVCPUIOPAAG-RTBURBONSA-N 447.561 1.188 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC(F)F 1539257708 NOMHPXPWCLXAPY-UHFFFAOYSA-N 440.454 1.937 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC)c1OC 1539291157 MVFOZLJPTNJPMR-UHFFFAOYSA-N 439.516 1.953 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(OC)CCOC2)CC1 1539484564 UVPVWEXEPUWAIR-QHCPKHFHSA-N 438.532 1.035 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539533684 SJQAPYFMIBCQLL-RCCFBDPRSA-N 435.594 1.864 30 10 IDEE Cn1cc(N2C[C@@H](C(=O)Oc3ccc(C#N)cc3I)CC2=O)cn1 1540189580 FECSHKAXQDMVBI-NSHDSACASA-N 436.209 1.855 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1540869297 IGYBWXZWYXOIOE-LSDHHAIUSA-N 442.524 1.422 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC2CCOCC2)CC1 1540872930 GIWGSTQWOJFVSL-UHFFFAOYSA-N 444.605 1.781 30 10 IDEE CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1543687112 XHSYGCLOTFQUJW-UHFFFAOYSA-N 435.433 1.752 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)c1 1544812662 VGGREXBWTPWXPR-HKBQPEDESA-N 447.557 1.871 30 10 IDEE COc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1554907443 CHHCMYFNRPRUMV-JKSUJKDBSA-N 426.477 1.218 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CN(C)C1=O 1555544368 COQQJUYXQCBYCB-HSZRJFAPSA-N 448.531 1.682 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1555674144 RRNXKEFGWYEDMZ-VWKPWSFCSA-N 431.493 1.899 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1555710007 HFJIIGCAMQABDL-FDDCHVKYSA-N 438.532 1.784 30 10 IDEE COC(=O)[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1ccnn1C 1557171827 IQPGVJAUVIOEJC-BNRUBQPISA-N 431.493 1.537 30 10 IDEE Cn1ccnc1[C@](O)(CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1559033101 VZNDYRNKUMCLMZ-GOSISDBHSA-N 440.378 1.464 30 10 IDEE C[C@]1(c2ccc(I)cc2)NC(=O)N(Cc2ncc(C#N)cn2)C1=O 1559371654 VAWUQNAXWXQQMA-MRXNPFEDSA-N 433.209 1.920 30 10 IDEE N#Cc1cn(CC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c(=O)nc1O 1583861985 MVGIDCXAIURTIF-UHFFFAOYSA-N 428.246 1.649 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 1587500780 HULYVJQNQLWFNR-NRFANRHFSA-N 445.516 1.543 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1587638172 CJKINQOYAJPTBI-UAGQMJEPSA-N 447.536 1.121 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587808636 URPJAIMTGUTISH-DOTOQJQBSA-N 432.525 1.182 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1587975363 YRRYWIHNAHPXAZ-UHFFFAOYSA-N 440.529 1.322 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588064583 KZEXHZBXEMPFPA-IBGZPJMESA-N 443.573 1.586 30 10 IDEE C#CCN(CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)C(=O)OC(C)(C)C 1588157908 KQZIIFDVLBFXNY-UHFFFAOYSA-N 441.575 1.888 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCOCC(F)(F)C(F)F)CC1 1588800496 JABRLTTWDOEZEF-UHFFFAOYSA-N 428.434 1.956 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCCCS(C)(=O)=O)CC1 1588884435 ANLBFEYOURRDET-UHFFFAOYSA-N 437.610 1.756 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)CC1 1594608890 YHFFBOVIUQUDRR-UHFFFAOYSA-N 436.538 1.444 30 10 IDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1594896575 ZEGDKGZNSGTAHB-OAHLLOKOSA-N 435.550 1.866 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1596602945 IJNVCYVDJYKKSN-CQSZACIVSA-N 430.571 1.940 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H]3CN(CC(C)C)CCO3)CC2)c1C#N 1612469724 DUFOCNHVPSUUQY-LJQANCHMSA-N 441.584 1.184 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1613428795 CBHPMMUGQDZOEP-QFBILLFUSA-N 426.521 1.973 30 10 IDEE CCOc1ccc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1616328898 NSTPRQDJMBVNEQ-MGPUTAFESA-N 430.486 1.465 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC(F)(F)CO1 1616914155 PWHPWLDBRABIBX-MRXNPFEDSA-N 433.463 1.832 30 10 IDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1618682059 ZRSMUUACIILITR-VBKZILBWSA-N 429.864 1.509 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)C(C)C)C[C@H]1O 1618885036 ZAGBXTGZTLMXOG-WOJBJXKFSA-N 440.548 1.907 30 10 IDEE COC1CCN(C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1619506846 DKFQMACKSIXSMN-IERDGZPVSA-N 433.532 1.561 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(C4CCCC4)n3CC(=O)NCC(F)F)CC2)nc1 1620350487 GSUHBJHYFUMEHS-UHFFFAOYSA-N 444.490 1.910 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 1626598517 SMHZUIAKGMUJBD-ZHRRBRCNSA-N 444.488 1.800 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CC1 1627099251 ZRHBUQGXDREAHC-UHFFFAOYSA-N 448.564 1.670 30 10 IDEE Cn1cc(C[C@@H](CO)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1635265434 LBLBIYTZICNAKX-KYMGHPBBSA-N 431.537 1.474 30 10 IDEE C=CCOc1ccc(CC(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1641002767 WWOIPNZQHBGGQE-UHFFFAOYSA-N 443.569 1.917 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H](O)Cn1ccnn1 1642304094 DSVGYURHKXAPAG-SJLPKXTDSA-N 426.477 1.161 30 10 IDEE C#CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CSC1 1645212270 KZILHOFBGFQJNY-VNQPRFMTSA-N 428.576 1.234 30 10 IDEE C=CCCC[C@@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1683733500 CGWRTJIJSCZXCO-GOSISDBHSA-N 426.521 1.756 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCC1 1685264884 UHUVRASDYQDKIG-UHFFFAOYSA-N 434.566 1.425 30 10 IDEE C#CCCCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1689886859 ITZXODKHHSLRJD-UHFFFAOYSA-N 426.565 1.899 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689993123 WANBTHPWFQLORI-DLBZAZTESA-N 432.546 1.943 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690117798 WCJMYORQNDYCQZ-ZWKOTPCHSA-N 430.940 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC(C)CC2)CC1 1690122584 WFQCAOXJAZLPEL-HXUWFJFHSA-N 427.597 1.497 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690246173 RVGSSZJMUKNGNF-MHORFTMASA-N 439.582 1.233 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690247671 DINFTTFUMOIQAI-SCTDSRPQSA-N 425.599 1.930 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1)C1CC1 1690537964 YTRKZYBMQPSJKZ-HNNXBMFYSA-N 438.598 1.692 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1690669558 ISFTVFWUSKOMCN-UHFFFAOYSA-N 433.476 1.266 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1692742256 HPMCPLVERVEONP-WNNBVUDTSA-N 449.602 1.987 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1695772076 NASHURNLTOQDQW-LJQANCHMSA-N 445.545 1.945 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1705590472 MGJPGCOQPPYDFI-QHCPKHFHSA-N 429.565 1.504 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)no1 1705623394 QHLTVWCXNIRNON-UHFFFAOYSA-N 429.502 1.779 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)ccc2OC)CC1 1705632196 XUDIZPGTJZFHRS-UHFFFAOYSA-N 426.496 1.465 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(C)nn(C)c2C)CC1 1705643505 IMEFBBGFCZCTID-ICSRJNTNSA-N 427.553 1.156 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)C(C)C)CC1 1705648089 NMMLKDZFPYUYRC-GOSISDBHSA-N 430.553 1.258 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)OC)C1 1705692272 DXLCPVYVLYQWAU-RDBSUJKOSA-N 429.315 1.910 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1705693863 LMXWWGNQVNTOMO-JJXSEGSLSA-N 429.612 1.811 30 10 IDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705760120 APTHWIUKSLQJDF-IFXJQAMLSA-N 438.916 1.155 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1705900837 RIXWEBSLHRTPJU-OAQYLSRUSA-N 425.468 1.218 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705902783 JQJDDVWBKNFGLX-HNNXBMFYSA-N 444.496 1.421 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1705906262 YFJPBXOTUIBXSP-UHFFFAOYSA-N 448.453 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)C1 1705931352 NGCWIXWOONNIKH-HNNXBMFYSA-N 438.575 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC)[C@H](C)C1 1705933491 IULYYLULWLYYDO-QGZVFWFLSA-N 428.562 1.948 30 10 IDEE Cc1nc(CCn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)n[nH]1 1707770721 CQMHFGPCOPQDOB-HNNXBMFYSA-N 435.540 1.523 30 10 IDEE CCSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1710964492 WLYMVTZXBZCTHL-NVXWUHKLSA-N 438.623 1.500 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1711975623 IAMYUNNGMURXAA-JOCHJYFZSA-N 442.495 1.568 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCS(=O)(=O)C1 1722302897 LRYSVUXTRWKXQM-IIBYNOLFSA-N 448.545 1.263 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722319204 IZOFNXBMYCCRGU-HXUWFJFHSA-N 435.532 1.834 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722332254 HCCLDAHLTFJGIP-KRWDZBQOSA-N 429.550 1.019 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722352973 MKJUUWXAQHAORS-NXOAAHMSSA-N 428.537 1.802 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722359687 ABPLTPHUIXGRRT-WMZOPIPTSA-N 444.561 1.272 30 10 IDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722412855 PTEKSKXDHIXZNP-VQTJNVASSA-N 442.589 1.928 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCc2cn[nH]c2)CC1 1722433513 YDSGNNBGARPZSG-UHFFFAOYSA-N 443.353 1.767 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CSCCS2)CC1 1722447687 LZFIZFUFWGHZOQ-CVEARBPZSA-N 448.618 1.044 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722464705 PMHKKURBMZAVIL-IAGOWNOFSA-N 441.623 1.604 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1722664424 ZISXQTGELWYETJ-CVEARBPZSA-N 438.575 1.850 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 1722700937 ZPQHAZBMSVPJTD-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1722712838 AIGMSCOXTZMARU-VAMGGRTRSA-N 445.612 1.284 30 10 IDEE CC(C)=CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1723049474 SKSJIFFVDPFQHP-DLBZAZTESA-N 435.536 1.962 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1723678167 CQBZIPSQQRXDES-PXNSSMCTSA-N 449.533 1.455 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCCO4)n3CCC(C)(C)O)CC2)c1C#N 1725866755 FJCXXSRJEKETGE-GOSISDBHSA-N 442.568 1.921 30 10 IDEE CCCOc1ncccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1728227249 HETMBGDLNVNLFS-QGZVFWFLSA-N 448.487 1.886 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1728664138 CWDUGZOVWCQFTE-UHFFFAOYSA-N 434.504 1.420 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1729636293 CFWPJIYVKAAOPG-OYHNWAKOSA-N 426.521 1.708 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740621276 KRQICTYEEKDUGE-BZSNNMDCSA-N 429.546 1.639 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(N(C)C)CCSC2)CC1 1740699115 URUFBHDSKKGEKX-JOCHJYFZSA-N 442.637 1.332 30 10 IDEE C=CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1740853836 ASSBQXREBRHRJW-VQTJNVASSA-N 436.560 1.984 30 10 IDEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CC1 1741950478 AVFISAXISFUSMK-GHTZIAJQSA-N 429.546 1.991 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1744834531 MOVMJKYBRNSLOJ-XVOXRGJOSA-N 427.509 1.380 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1745711332 AGMXICHXBGUQRE-SQGPQFPESA-N 438.573 1.887 30 10 IDEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1)S(C)(=O)=O 1747845755 KEEXTQOMMDTBRF-KRWDZBQOSA-N 444.561 1.449 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1748196197 BLJWWQSOQPIAKW-WOJBJXKFSA-N 438.532 1.831 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1748656000 JPHCABVSTVOVFL-RXVVDRJESA-N 449.563 1.736 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1748724924 MPAVDPIQCGCFNX-UHFFFAOYSA-N 447.609 1.709 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1748816017 VQXRTABXPISZCZ-DLBZAZTESA-N 437.566 1.063 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)n1 1748939991 BJYFVQRIHRVSKK-RXVVDRJESA-N 440.548 1.742 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC=CCO1 1748950664 MXXKEPBFVRWRBV-SFHVURJKSA-N 430.530 1.780 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1749657837 HHAAQNUZKABHMX-ZDUSSCGKSA-N 433.875 1.254 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C[C@@H]1CCCO1 1749658200 LRJKETMYEYZUPX-SFHVURJKSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749676396 PDMWDOBENDCQDW-IBGZPJMESA-N 437.548 1.309 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccnc2C)C1 1749697975 PDUKICLHHOQHSZ-CVEARBPZSA-N 435.554 1.011 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnccc2OC)C1 1749711854 DACPOKYDAWHEPN-DOTOQJQBSA-N 433.534 1.413 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCS(C)(=O)=O 1749808888 VWFMLSLNRPPJNI-GOSISDBHSA-N 433.534 1.699 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1750088932 KJQVEINBCOJNCD-HDMKZQKVSA-N 433.534 1.490 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1751006028 BYONLIMPIOGEMV-QRWLVFNGSA-N 430.513 1.210 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1751164315 LNKJEQURFWZKMS-LPHOPBHVSA-N 441.492 1.550 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1760197012 OXUNAIVYGKDDSP-FQEVSTJZSA-N 430.555 1.289 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1760262388 XABICBBDWKLIRH-XUVXKRRUSA-N 449.621 1.531 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1760331398 SHXZSAKMLDGVQJ-QGZVFWFLSA-N 446.577 1.876 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760355643 QTECIFFZHNXOFB-UHFFFAOYSA-N 439.520 1.762 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760360503 DPPCXWSDFIJIJE-JTAQYXEDSA-N 449.596 1.896 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760453773 IRUYEMNVABMITO-CQSZACIVSA-N 439.442 1.811 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1760541496 CTJSPHHWYXKJMA-KURKYZTESA-N 441.523 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760548885 RJQUEIZFMPLHEO-QRVBRYPASA-N 439.626 1.939 30 10 IDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCN(C)CCOC 1764909107 FDDPBUWHLNIOHA-UHFFFAOYSA-N 428.541 1.482 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(C)=O)CC1 1766975338 HXNYYNPNXGXJTK-UHFFFAOYSA-N 433.520 1.829 30 10 IDEE CO[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1769595071 IZJRKEKNDOWAOG-OLZOCXBDSA-N 439.398 1.622 30 10 IDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1771326807 ADRMBNGNXZUKHT-GOSISDBHSA-N 436.472 1.977 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2cc(C(=O)ON3C(=O)c4ccccc4C3=O)nn2)C1 1772788770 GITQYTVUGMARGC-LBPRGKRZSA-N 427.417 1.828 30 10 IDEE COc1cccc(CN2C[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)c1 1851527671 LQVWOVGOJVYGSK-ZDUSSCGKSA-N 447.435 1.914 30 10 IDEE N#Cc1ccc(CNC(=O)CCCCCN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1852272674 PTGYVUHFVSZFGP-NRFANRHFSA-N 432.590 1.540 30 10 IDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1853390346 VANNYWOZRKBBIS-CQSZACIVSA-N 440.891 1.712 30 10 IDEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 1853544928 IZUCFGBAWDJXQL-UHFFFAOYSA-N 425.415 1.210 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1854588324 AIPAGNYRRFJFQR-RTBURBONSA-N 435.521 1.780 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1855104177 DLNDKLNFPAEWSB-PKOBYXMFSA-N 429.542 1.912 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858327435 QAPRHUYMDPVVSM-KRWDZBQOSA-N 448.526 1.258 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nc(O)cc(CC)n3)CC2)nc1C 1859431165 QUPQGMVTJBHBDS-UHFFFAOYSA-N 446.533 1.613 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CC[C@@H](N)C(=O)O)sc2c1 1866020388 OBSBMXIHXBPLNQ-CYBMUJFWSA-N 438.531 1.790 30 10 IDEE C=CCOc1cn(CCOCCO)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870386791 DMBNEWYVGLRRGL-UHFFFAOYSA-N 443.544 1.753 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccc(OC)cc2)cn1CCO 1870649029 BLNIIGKNFKTAMA-UHFFFAOYSA-N 441.528 1.718 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCCN3c3ccccn3)CC2)CC1 1889383599 IEIAUTNGAVWJRD-QFIPXVFZSA-N 425.577 1.309 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CO1 1900475436 UQTLIUPHQSZKHJ-NSHDSACASA-N 425.316 1.723 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2022828539 XYERHRIQYQWTAN-ZIAGYGMSSA-N 442.488 1.278 30 10 IDEE CC1(C)OC[C@@H]([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2nncs2)O1 2033813519 COECPOWSWYJGOQ-JSGCOSHPSA-N 431.426 1.829 30 10 IDEE C=CCC1(C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2247131679 IMVMNTMUUDUKIP-UHFFFAOYSA-N 443.541 1.164 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247894070 BZPFVMHFWWHBBI-CVEARBPZSA-N 438.355 1.930 30 10 IDEE C=C(CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)B1OC(C)(C)C(C)(C)O1 2247962580 PWQLOPIYJJWURD-LSDHHAIUSA-N 446.375 1.321 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404758 MTRSPEKEDZABTB-SECBINFHSA-N 448.301 1.746 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)ns2)OC1(C)C 2248564350 LERCYRMSTJJTKR-OAHLLOKOSA-N 432.307 1.842 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255641911 YJLGJKOJJKMUMD-QWRGUYRKSA-N 445.272 1.820 30 10 IDEE C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255793670 AFQOQVIRNJSMSE-MRXNPFEDSA-N 448.398 1.518 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255826681 RCRVKHNWKFIBFM-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256069663 PAUXAPRCUCLNKS-CQSZACIVSA-N 432.330 1.763 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2256615387 UFZNLYXITMRUKZ-AWEZNQCLSA-N 433.314 1.955 30 10 IDEE CC1(C)OB([C@H]2C[C@@H]2C(=O)N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)OC1(C)C 2267099637 MJSZMJUIEHQOOK-KBPBESRZSA-N 446.275 1.843 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)nc2)OC1(C)C 2267169365 XTVIHTBIXGQRCB-UHFFFAOYSA-N 442.247 1.307 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)COC1 2267280283 OGPVNORRUUITKT-UHFFFAOYSA-N 447.341 1.652 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(CCNC(=O)OC(C)(C)C)C1 2267600064 ZYRUBHLNNGOULF-UHFFFAOYSA-N 449.361 1.538 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319668802 JTJWURJNXDAQMZ-UVUXSLJKSA-N 440.346 1.412 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2334270808 SMRDGGRGEBNDPD-QRTARXTBSA-N 446.357 1.847 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)n1C 2337188543 RFZVUXDFKRZFRR-LSDHHAIUSA-N 446.357 1.862 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)n1C 2337402854 FVZMZWXVBLBQFU-UHFFFAOYSA-N 440.353 1.758 30 10 IDEE CC(=O)OC[C@@H]1O[C@H](n2cnc(C#N)c2C#C[Si](C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253492124 OURBYMJWHWPAPA-YRPNKDGESA-N 447.520 1.308 30 10 IDEE Cc1ccc(OC[C@H](O)Cn2c(NN=Cc3cccnc3)nc3c2c(O)nc(=O)n3C)cc1 254310457 VEIIRHXVHNFLHI-MRXNPFEDSA-N 449.471 1.425 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430992465 TVIQSVRGRKXOOO-UHFFFAOYSA-N 445.548 1.622 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 438056211 QPSIZEIECWYLGL-QAPCUYQASA-N 438.506 1.592 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1C[C@@H]1CCCO1 461159072 LQNFFDPSBOBRLS-WMZOPIPTSA-N 431.504 1.896 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 478759341 XICZCCPBNPTFNN-FUHWJXTLSA-N 442.512 1.727 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 482785737 DQEFFHNJEWNHLP-MRXNPFEDSA-N 444.517 1.330 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C#N 489097462 DXYINUMECOYVNU-GJZGRUSLSA-N 428.514 1.990 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 508823015 APJDEKODZWDJBB-SJORKVTESA-N 425.555 1.192 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 509148188 ASKGLHJRRWSVPS-UHFFFAOYSA-N 447.517 1.853 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 511357459 CLEAJQWVNHVUMA-GFCCVEGCSA-N 425.454 1.669 30 10 IDEE C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 517318335 HTCWOYKHDWBZFL-UHFFFAOYSA-N 431.562 1.615 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 522531219 AYPHLJSOVZNABH-UHFFFAOYSA-N 435.530 1.932 30 10 IDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)n1 523463022 XOWYZHBAODYGRB-CQSZACIVSA-N 428.518 1.913 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 574221740 JRKJCYQQJFUIGF-FQEVSTJZSA-N 435.532 1.420 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 588151525 VISRMTUEABXSKZ-AWEZNQCLSA-N 440.521 1.994 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@@H]1CCCO1 590915973 CQYVHMCXWIXHSQ-LBPRGKRZSA-N 437.974 1.833 30 10 IDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 619780040 ALHCTGNJJZKTQY-GVDBMIGSSA-N 437.949 1.938 30 10 IDEE C=CCN(CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 663172636 YOTFVTYMLJBWEY-HNNXBMFYSA-N 434.605 1.597 30 10 IDEE CC[C@H](C#N)N1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 703984648 PHAFJORRNQLHMO-MRXNPFEDSA-N 432.546 1.558 30 10 IDEE C#CCN(C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 729332696 VCPIVMKBWGAYDV-MRXNPFEDSA-N 441.534 1.774 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732649744 QSVWFIPDRFKHCN-CTNGQTDRSA-N 444.557 1.631 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)cc1 733675856 NDFITNUWVNDWQB-NRFANRHFSA-N 448.504 1.941 30 10 IDEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 746329482 HPZFJZYNVUNCBA-QURGRASLSA-N 427.505 1.692 30 10 IDEE Cc1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 749531586 YBQFJLRKHIJIFE-UHFFFAOYSA-N 432.484 1.211 30 10 IDEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749622032 LNFLPZSYETYDBE-INIZCTEOSA-N 443.525 1.953 30 10 IDEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 767998403 HUZIPAPOCZCIHC-VHEBQXMUSA-N 427.461 1.115 30 10 IDEE C#C[C@H](NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)[C@@H]1CCCO1 775331330 YLKKZLXUXGLRAH-GJZGRUSLSA-N 443.319 1.099 30 10 IDEE COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)cc1 782247805 GJPRUCRUYUWIQJ-UHFFFAOYSA-N 431.473 1.537 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782884918 RQOFIYJSGJGXKX-BXKDBHETSA-N 434.415 1.960 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)n1 788849621 SBCJSZLOEGYLPO-IBGZPJMESA-N 431.562 1.809 30 10 IDEE C=CCOC(=O)N1CCC(OC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 790840758 XWQZTQLLVLKHQM-MRXNPFEDSA-N 439.509 1.832 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1C#N 793732573 ITTXLCHULITQQU-GOSISDBHSA-N 449.511 1.201 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802612809 OFEDKTMOFYDZJK-KRWDZBQOSA-N 439.443 1.572 30 10 IDEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)o1 1084068877 NMHRQLWBZQEAGL-UHFFFAOYSA-N 429.462 1.841 30 10 IDEE NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccncc2)CC1 1084521312 LWQMOUWZUFCPBF-UHFFFAOYSA-N 432.462 1.322 30 10 IDEE N#C[C@@]12CN(C(=O)c3c(F)cccc3I)C[C@H]1CS(=O)(=O)C2 1134276434 WNUIIKPFKHRIEY-XPTSAGLGSA-N 434.230 1.441 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@@H]2CCCCN2CCO)CC1 1141281248 SIWYEVKNKYXZLX-KRWDZBQOSA-N 427.505 1.986 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cn(C2CCC2)nn1 1144297452 DJHDPLXSPLNSMD-KRWDZBQOSA-N 430.534 1.773 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 1151709103 KPSGDMVBGPOYJG-OAHLLOKOSA-N 445.944 1.940 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1153419202 FNLWPBSARXYAAF-FQEVSTJZSA-N 433.461 1.266 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 1166845788 OUIQYTBXQAQHBL-UHFFFAOYSA-N 431.445 1.347 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1233927123 DFWBKBFLZURQHE-INIZCTEOSA-N 439.534 1.148 30 10 IDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1251341339 AEXDWWIUWZRVCM-KBAYOESNSA-N 441.484 1.645 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1286343946 XFBYYJOMMYBLAL-GFCCVEGCSA-N 449.562 1.648 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1286523386 URGWHSTWYZWBAV-CNNODRBYSA-N 449.621 1.673 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)[C@@H](C)CC)CC1 1286645326 BEBKVBIZXQGBKS-ZWKOTPCHSA-N 440.614 1.498 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 1286769318 RHEDMAXNNXLOBN-INIZCTEOSA-N 425.530 1.872 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1286786043 MZEVPGSTJGPJBV-JKDFXYPNSA-N 427.336 1.552 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1286970910 YKBJSOSRDXPDQA-BZUAXINKSA-N 440.570 1.022 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1287218448 YJFMAZAPWXWUKE-MRXNPFEDSA-N 429.550 1.429 30 10 IDEE CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C=O 1290637465 QZWFZISOGCWCMI-UHFFFAOYSA-N 426.498 1.583 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1293867649 BMICSWUAMBXVPS-NPPFBWRTSA-N 448.568 1.600 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1300535874 PRGKEMQVZYOTEF-KRWDZBQOSA-N 449.577 1.510 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2cnn(CCOC)c2)CC1 1300700895 AROBIUYQVUYEPP-UHFFFAOYSA-N 433.560 1.824 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300707161 WNBNRCYTXIATNB-CVDCTZTESA-N 425.533 1.195 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1300760384 AEAILKUIJAODMB-KZNAEPCWSA-N 435.594 1.516 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1300816269 LAMUKDMDENIYLM-HSZRJFAPSA-N 439.516 1.717 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1)C1CC1 1301326544 BZLIQRRXVBYCOJ-HOCLYGCPSA-N 427.596 1.519 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1301496853 ITFLCHSTVCABRD-UHFFFAOYSA-N 440.552 1.512 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2sc(C)nc2C)C1 1301537506 BFNRHXDELYXTLE-ZFWWWQNUSA-N 440.595 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1301596038 FYWNTOMEIHSKSV-XLIONFOSSA-N 442.582 1.535 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1301611284 ARQYOFZLBZYONA-OWCLPIDISA-N 429.612 1.622 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1303651663 CRCVPIQZMCFUHY-CZUORRHYSA-N 434.447 1.853 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1304908358 AAJHXNGTAOVBTN-QLCIJSRNSA-N 442.545 1.307 30 10 IDEE Cn1cc(N2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2=O)cn1 1309256772 GNPNOKVFWHKFSU-UHFFFAOYSA-N 442.270 1.231 30 10 IDEE C#CCN(C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1321765385 BFFYMDZCKKOUDO-INIZCTEOSA-N 435.481 1.459 30 10 IDEE COCCNC(=O)CSc1ccccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1351736137 PDXUGBOMVNJYHL-UHFFFAOYSA-N 444.517 1.225 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ncc(Br)cn2)c1 1357767132 KWBWKTVIHHLIEY-UHFFFAOYSA-N 429.274 1.726 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)nc1 1358977477 MZPUBARPNVJTRY-HXUWFJFHSA-N 431.544 1.982 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)s1 1359019457 VXFDTIUDAAZNDG-GFCCVEGCSA-N 431.971 1.738 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)noc1C 1359023733 ULIIHWRKOYYJDY-UHFFFAOYSA-N 426.477 1.999 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nccnc2C)CC1 1359045109 XGUAXYPSFJULCL-IBGZPJMESA-N 437.548 1.479 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCOC2)CC1 1359047920 YODYASRWPFIPGF-KRWDZBQOSA-N 441.507 1.999 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1359058057 RMPJFEFEJCOHTB-QGZVFWFLSA-N 436.559 1.638 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359126377 NSEMSGAONQWJGM-ULQDDVLXSA-N 427.571 1.344 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1359227840 NRRJGMOEWWFLTP-HOTGVXAUSA-N 426.539 1.162 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC(OCC)C1 1359233668 NDQVYBREIIQORO-UHFFFAOYSA-N 449.577 1.748 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359296434 JDRWAHZRGNDJTD-UHFFFAOYSA-N 439.564 1.238 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359297973 IQZIZHZYBKLDRE-INIZCTEOSA-N 438.561 1.982 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359309687 ATYGAXGTGXEMEP-SFHVURJKSA-N 442.545 1.915 30 10 IDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359603257 LBCKYSNVODXSCO-QFIPXVFZSA-N 437.504 1.402 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1360295864 QBHRBIRZKUMNAT-MJGOQNOKSA-N 437.548 1.926 30 10 IDEE C#C[C@@H](NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1436651597 QXNOQKWGVMKPJG-OAHLLOKOSA-N 441.285 1.807 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1463611767 ZOMRNAJSEFFYER-PWSUYJOCSA-N 431.312 1.760 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3)c2)CC1 1463913382 AINJUUPZGGYKIO-UHFFFAOYSA-N 427.526 1.418 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3n[nH]cc3C(=O)OCC)C2)cc1 1470593244 MWOMBWIAJJDPKH-HNNXBMFYSA-N 432.502 1.680 30 10 IDEE CC(C)(CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)CS(C)(=O)=O 1471761925 QKGUZVIJVICULK-UHFFFAOYSA-N 443.591 1.473 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCOCC2)n1 1492748546 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CHROSHWSEBINHZ-HZPDHXFCSA-N 445.973 1.165 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)C1 1508118779 SETLMQKKJQRPKO-OAHLLOKOSA-N 447.565 1.156 30 10 IDEE Cc1cccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1510677676 DRFDDUNRTHKNAE-RYRKJORJSA-N 448.549 1.393 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CCO1 1517538052 LMPKZNYBUGJCIA-HZPDHXFCSA-N 432.431 1.192 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C2CC2)C[C@H]1O 1517688978 DUUCJFSMSJVSCG-QKYXUNIQSA-N 438.532 1.660 30 10 IDEE CC1(C)NC(=O)N(CCCNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1=O 1519123072 AKRKZOXCMXOZPU-UHFFFAOYSA-N 428.493 1.663 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1519162311 DGBGMUVDPPUOIT-FGTMMUONSA-N 447.584 1.483 30 10 IDEE COc1ccc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc1S(=O)(=O)NC(C)C 1525912992 GJWFODCEBWMLOS-UHFFFAOYSA-N 430.486 1.974 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1539014168 LGBPJFVODOXIPQ-IAGOWNOFSA-N 429.546 1.894 30 10 IDEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539134172 RCUAAVDZSJEEJP-GOSISDBHSA-N 436.516 1.034 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539215955 LXXYCBPXVHARKF-IBGZPJMESA-N 436.541 1.995 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCOC1=O 1539405596 FKBDASQSRSHBFG-UHFFFAOYSA-N 441.488 1.645 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CC1 1539453896 UAQATQPXJXHMMX-IBGZPJMESA-N 442.995 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)CC1 1539466764 GGUCJTATJUZQBW-UHFFFAOYSA-N 439.520 1.052 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1539514553 SGWZSXQHEPPMFH-SFHVURJKSA-N 444.605 1.825 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 1539633299 YAVWYSIQRODFAO-TVFCKZIOSA-N 440.566 1.013 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540026871 LBYVTENKXPILME-UHFFFAOYSA-N 443.552 1.050 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1540853650 HJLSARWUIVRQSC-OLZOCXBDSA-N 425.515 1.159 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1540863317 TZXAPPMGKYCXDP-AOMKIAJQSA-N 445.495 1.855 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540875844 ZOLKWIROGWSDNA-SJORKVTESA-N 428.512 1.971 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1541665562 GOGLRAAJWURYMG-OAHLLOKOSA-N 425.493 1.520 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCC(CO)CC2)cc1 1544855722 XVFAJPAPZZKXRA-BSYVCWPDSA-N 436.578 1.922 30 10 IDEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)NC)c2ccccc2c1=O 1547212518 BVBCLGQFCLDIDI-HNNXBMFYSA-N 436.520 1.797 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1552383636 RHVPZTBHBLMLOS-DFNIBXOVSA-N 444.561 1.353 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C[C@H](C)O1 1555384983 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1645726944 LYOWCIZKASPSEG-FDQGKXFDSA-N 435.527 1.248 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 1647985794 CWNJTDBENMGYQS-MJGOQNOKSA-N 435.546 1.601 30 10 IDEE C=CCN1CC[C@H](N(C)c2ncnc3c2ncn3C2CN(C(=O)OC(C)(C)C)C2)C1=O 1651012563 KEUQSTSABSOXRI-HNNXBMFYSA-N 427.509 1.841 30 10 IDEE CCc1cccc(CC)c1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652134050 LAVKLBBMFUWUGO-UHFFFAOYSA-N 440.500 1.987 30 10 IDEE C#CC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1 1653281565 RKDMGBIKCOLNKD-UHFFFAOYSA-N 435.845 1.869 30 10 IDEE C#CCN(C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)[C@H]1CCS(=O)(=O)C1 1675137323 CXAPNEVQEAJJER-NSHDSACASA-N 431.392 1.691 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1683230660 WLBUYFXLIQSJSQ-MMMWYMCRSA-N 426.539 1.260 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 1686281968 LPBFQOQAAOCTCG-JCNLHEQBSA-N 444.479 1.746 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1689996753 NQVOBAONCJZQHF-KRWDZBQOSA-N 430.530 1.317 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCOC2)CC1 1690137025 MLISMUTXIVZLTH-QGZVFWFLSA-N 444.580 1.589 30 10 IDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690219277 AIHJDDHLQHVAEJ-UHFFFAOYSA-N 427.347 1.483 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1690624103 GOUXKJZUSHUILH-UHFFFAOYSA-N 434.541 1.518 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1690673578 YBRWAFVNTUSOIT-UHFFFAOYSA-N 427.553 1.113 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C)C(C)(C)C2)C1 1690697413 UYKTVZBQTWEBGP-LJQANCHMSA-N 428.585 1.486 30 10 IDEE Cc1noc(C)c1CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693530764 BDMZVSQNHSIYCN-VXPUYCOJSA-N 425.493 1.998 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCN1CCC[C@@H]1CO 1694733817 IBWPJGJVPZWUIY-HXUWFJFHSA-N 438.580 1.671 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1697784833 CNWMEKOBAGJQAF-MRXNPFEDSA-N 426.456 1.633 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCC1 1698166163 KILKLMHKLPHMFR-QGZVFWFLSA-N 441.536 1.510 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC2CCS(=O)(=O)CC2)c1 1698485343 CEBGOZHQRIHDKN-UHFFFAOYSA-N 433.559 1.210 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1705495182 LRLBHENIAPDWKL-KKUMJFAQSA-N 443.520 1.504 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCN1CCN(C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1705560421 KQCZATDQBGMVOJ-SFHVURJKSA-N 436.626 1.054 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)CCOC)CC1 1705649305 SIOPUPWNYXGPFU-JOCHJYFZSA-N 426.521 1.093 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1705666202 RSFCTQZIHRGJOK-UHFFFAOYSA-N 436.559 1.467 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705681318 RQVCVXGNANXHNQ-STQMWFEESA-N 430.303 1.552 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCOCC2)CC1 1705763235 QVLTTWZMWRONKJ-IAGOWNOFSA-N 426.587 1.013 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705825299 PPBDGVRIHMAZDH-UHFFFAOYSA-N 432.569 1.802 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1706746620 CNSHDEKTODERED-YOEHRIQHSA-N 436.513 1.537 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)cc1 1712879461 BANGWGJSQPISEH-MRXNPFEDSA-N 433.438 1.780 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1722358428 BNHTVMIWHJHFJV-OAHLLOKOSA-N 429.506 1.142 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722359540 OIVLZWMQQJCLFV-SJLPKXTDSA-N 447.561 1.194 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1722415744 GKEPTTKZUPJHAC-OAHLLOKOSA-N 435.575 1.696 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1722459891 TVGFSEXWSFIBRO-QGZVFWFLSA-N 437.635 1.611 30 10 IDEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722536626 PYUSTWDWTQDLGN-NJNPRVFISA-N 433.553 1.626 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722574899 SPXCJSKHWCNSNL-BHYGNILZSA-N 427.571 1.342 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(O)c2)CC1 1722728324 PSLCBRYMULBMOU-QGZVFWFLSA-N 447.561 1.415 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)cn1 1730773982 GAYQDNGRWQCXIO-MRXNPFEDSA-N 434.504 1.375 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCSCC2)CCO1 1731188764 IJEVZAXJPNTXAM-OAHLLOKOSA-N 434.516 1.925 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCCO)CCN1C1CC1 1731190568 QYSWHGXVTPWVTD-LJQANCHMSA-N 441.492 1.429 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccsc2)nnc1N1CCCOCC1 1731217060 CPNQYVLWIRLPRN-VHEBQXMUSA-N 428.518 1.684 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740532080 XRCGEMJZDUPWBV-BBWFWOEESA-N 436.582 1.078 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1740619367 IEDYLGYCTPTCJS-HKUYNNGSSA-N 448.545 1.242 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740619600 POEUBRUKSWNMGI-QGZVFWFLSA-N 447.517 1.641 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1740628253 WUZIQYBMMGXSBN-MOPGFXCFSA-N 446.577 1.463 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCNS(C)(=O)=O 1740676781 MIFTWTJQSDRMOV-QGZVFWFLSA-N 435.525 1.500 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740686055 OBCWTKPTDCVPCG-NTLWEQJWSA-N 436.578 1.207 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2nnc(CC)s2)CC1 1740704627 QGOOXVVPUCDZRA-UHFFFAOYSA-N 438.561 1.712 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740786386 BKOQLUVQJKKWIS-RTBURBONSA-N 432.569 1.264 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740873411 AFYIZLGGUOZKQU-INIZCTEOSA-N 426.525 1.629 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740960534 UJXOVIAUHBKYJX-IXDOHACOSA-N 448.568 1.824 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1741002793 LSVPQUDAGKNUCX-HZPDHXFCSA-N 427.596 1.204 30 10 IDEE C=CCSCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1741004461 BCNIHXVTKVZAEU-IBGZPJMESA-N 425.555 1.738 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 1747656009 FHUVYVFDJVBETG-SJORKVTESA-N 431.518 1.389 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1748699163 LNTLATWKHOYRAB-INIZCTEOSA-N 439.582 1.814 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748816051 WIAWWIYCEFWYSE-INIZCTEOSA-N 440.591 1.140 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1748831736 WFZLLYHEQFHUBL-HJPURHCSSA-N 440.500 1.584 30 10 IDEE C#CCCCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1760142378 AUOIIZSSQBZBRO-RXVVDRJESA-N 434.562 1.360 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1760294341 UMBVPMBSXKRUAV-AUSIDOKSSA-N 427.597 1.639 30 10 IDEE C=C(Br)Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314086 IVRQBPPPUYJFNA-GUYCJALGSA-N 428.331 1.539 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCSC2)CC1 1760389760 SOHMPRPFQIEISU-SJORKVTESA-N 441.623 1.911 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C)C1CC1 1760476895 JOVNDIZYLAOEKG-OIISXLGYSA-N 425.555 1.191 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1760532241 PSRSLWAUROXJBN-QGZVFWFLSA-N 440.504 1.670 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760912874 VVQBBEUAFGJESB-UFVMTTLYSA-N 443.552 1.086 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762597217 MTOLWKBSOHDTGP-QURGRASLSA-N 435.532 1.825 30 10 IDEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(F)c1 1766886277 HWGFGAWDQPDFIV-RBUKOAKNSA-N 441.511 1.685 30 10 IDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1771027302 UGGGBURGQYBDLR-HXUWFJFHSA-N 437.548 1.850 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1772567245 QWKIWBOVJSPXMZ-RBUKOAKNSA-N 443.552 1.541 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1772842586 SKTLYVHNTHSXDX-HZPDHXFCSA-N 429.525 1.570 30 10 IDEE C[C@H]1CC(=NC(=O)[C@H](N2CCS(=O)(=O)CC2)C(C)(C)C)NN1c1ccc(Cl)cn1 1851723119 SJJAXYQGSGAACI-GUYCJALGSA-N 441.985 1.908 30 10 IDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)CO2)nc1 1852449964 YYSNWDTZUGMGIY-NVXWUHKLSA-N 428.395 1.944 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1=O 1856804348 VVJQZUHSJQCUHS-GXTWGEPZSA-N 444.893 1.231 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862179638 PDQCSEGRAGQCLE-SJLPKXTDSA-N 427.501 1.922 30 10 IDEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c(O)c1 1862627252 LDFXGMZXXANPTL-IBGZPJMESA-N 426.425 1.966 30 10 IDEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869928485 LLONKEMRDGOTTL-INIZCTEOSA-N 440.481 1.758 30 10 IDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCCC1 1869934105 YWRBUHZJFHMWAW-KRWDZBQOSA-N 438.619 1.839 30 10 IDEE CC(=O)Oc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870154400 XDTXSAUHMWVHPS-UHFFFAOYSA-N 430.380 1.542 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 1880104822 OEHFOOXPITUABR-HUUCEWRRSA-N 448.329 1.787 30 10 IDEE C=C(CNC(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1910269848 NFEWTJOCGDOQOK-QLFBSQMISA-N 426.319 1.021 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247777476 NMUVYFMZSKMWKW-UHFFFAOYSA-N 441.359 1.713 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247954423 YNKNFFIZOYTNIY-LSDHHAIUSA-N 439.343 1.325 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248420016 LUJCXVOSHXHFBM-NSHDSACASA-N 436.343 1.455 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255655316 KQZAWTWLZKYWDB-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CO[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255665581 HYGVXRFJWWASFI-ZIAGYGMSSA-N 436.318 1.073 30 10 IDEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255671706 VTEAZQQOKQJWGP-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2255700451 CQPAWOQBWPOVIY-UHFFFAOYSA-N 430.314 1.611 30 10 IDEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]1NC(=O)C(F)(F)F 2267167226 CRGLPAPCCJEQBF-WCQYABFASA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2267274374 ZMGDFWFFCWELOY-IRXDYDNUSA-N 447.341 1.481 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2267536840 MNAAUUYTUNTQIT-ZDUSSCGKSA-N 447.345 1.386 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269049182 FGJORRUIRLVCLA-PBHICJAKSA-N 441.293 1.564 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC(C3OCCO3)CC2)OC1(C)C 2282510288 WUVOJJXRVXTCPN-UHFFFAOYSA-N 443.396 1.962 30 10 IDEE C=CC[C@@]1(CN)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287690087 GSBYWBFLDRXFKZ-RTWAWAEBSA-N 437.537 1.958 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)n1 2315344041 AMFPWEBZAUANGP-UHFFFAOYSA-N 432.330 1.258 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364178334 NGJLLGUUWQJDRW-SFHVURJKSA-N 431.558 1.860 30 10 IDEE C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C2=C1CN(CC(=O)NC[C@@H]1CCCO1)C2=O 35969047 RHSQUEVFPIWSQL-JXFKEZNVSA-N 428.464 1.470 30 10 IDEE CCOc1ccccc1[C@@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@@H]1C#N 72443719 WBCGJYHYNIFXNH-ZBFHGGJFSA-N 436.472 1.094 30 10 IDEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2cccnc2)cc1 170356519 QQLFLXKNPRQEAN-SFHVURJKSA-N 436.449 1.907 30 10 IDEE CN(Cc1ccccc1)C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 261396766 BVSQPGDQHOZTEY-NRFANRHFSA-N 428.558 1.357 30 10 IDEE CN1CCOc2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc21 472910444 YIRRDDUEWYFALE-UHFFFAOYSA-N 441.513 1.925 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)ccc1F 488922252 XDXNFVMIMBKZHT-UHFFFAOYSA-N 427.461 1.853 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 508462926 BIBGRXIMRJTNAL-QAPCUYQASA-N 439.472 1.053 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508470275 CAYQNHULFUJJII-UHFFFAOYSA-N 435.532 1.938 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(C(=O)OCC)s2)CC1 508948335 CNJHQVPKUKIONH-UHFFFAOYSA-N 445.549 1.660 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C 534787461 HOWQMLZOOCWGRK-IBGZPJMESA-N 427.553 1.359 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1 555247173 GRDWEDMXAWAEPL-GOSISDBHSA-N 435.550 1.702 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)C2)nc1 557474396 LEOYYIBYDQILGF-AWEZNQCLSA-N 440.261 1.985 30 10 IDEE COc1ccc(NC(=O)CSc2ccccc2C(=O)NCC(=O)NCC#N)cc1OC 561394304 NYYLMSKJPWTHDO-UHFFFAOYSA-N 442.497 1.804 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 563480786 AMKHHIZRNOBGNR-LBPRGKRZSA-N 425.511 1.868 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1cccc(C)c1 573771193 NVMRTXMQPSNBTP-UHFFFAOYSA-N 441.516 1.642 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@@H]1CCCO1 610928982 CYWVMJLJCNMTSX-AWEZNQCLSA-N 449.985 1.929 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671412 IXNZQAKWEICFIH-NVXWUHKLSA-N 436.537 1.855 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCCCN1C(=O)c2ccccc2C1=O 754012672 DHJJCCKMVDIMMJ-UHFFFAOYSA-N 441.465 1.838 30 10 IDEE C=CCn1c(C)cc(C(=O)COC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)c1C 754347757 VANFYOWUVYCGQH-UHFFFAOYSA-N 438.484 1.839 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](O)C(=O)O 757271208 HLSAKVRDPUEDDM-NHCUHLMSSA-N 436.464 1.869 30 10 IDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 757845960 FZKIOEXHROZRHE-OAHLLOKOSA-N 428.511 1.183 30 10 IDEE COc1ccc(CCNC(C)=O)cc1S(=O)(=O)NC(=O)[C@H](C)Oc1ccccc1C#N 767573991 LQBMHVRWUPIVTE-AWEZNQCLSA-N 445.497 1.518 30 10 IDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 774147418 IHBAXDCYQGCEAF-KRWDZBQOSA-N 441.575 1.049 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)n1 788695126 DZPIOUNCYAAVBC-UHFFFAOYSA-N 426.882 1.189 30 10 IDEE C=CC[C@@]1(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 794086608 KZXJLVRXQTUJPV-FQEVSTJZSA-N 444.598 1.673 30 10 IDEE COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)[C@H](C)n1cnc(C#N)n1 798859743 NGOQWHDVFKCIBD-QWRGUYRKSA-N 427.870 1.283 30 10 IDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 802585429 DGQACWWHCQUBSQ-UHFFFAOYSA-N 433.582 1.549 30 10 IDEE C[C@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C1(S(C)(=O)=O)CC1 806219182 FZOINQFHNKNXTA-JPDJOPTESA-N 442.563 1.587 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1 808113544 IEVJOKPNQORBDH-LBPRGKRZSA-N 437.499 1.728 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)[C@H](C#N)C1 856663542 WDQMAAXGYHTCSJ-MRXNPFEDSA-N 433.509 1.354 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)cc1 1084339695 ZVWZXNBXCSHFBL-UHFFFAOYSA-N 426.506 1.640 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 1128569526 PYDLYCMNUHFIJG-CQSZACIVSA-N 444.351 1.833 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H](OCC)C1(C)C)C(=O)OC 1139175779 LUWIOWPRQHNROK-GXZWQRSESA-N 428.526 1.945 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2O)c1 1140273461 WJIVQRFQJFSESC-GJZGRUSLSA-N 429.498 1.977 30 10 IDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCc4sc(S(N)(=O)=O)cc4C3)C2)c(F)c1 1148078863 LFOUGUWADYTLNO-ZDUSSCGKSA-N 434.518 1.817 30 10 IDEE CN(C)C[C@]1(O)CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1156611652 IKUZHIHMCSUVOG-OAQYLSRUSA-N 426.477 1.901 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OCC 1171428562 ANBJQNYHKUIQNL-LBPRGKRZSA-N 439.715 1.901 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1286297159 VAHXRLXZFQPPLN-GDBMZVCRSA-N 430.513 1.221 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286328471 OECUZUIHWLKJHV-UHFFFAOYSA-N 436.607 1.955 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1286394638 JVRGRLHVNIZPMK-IBGZPJMESA-N 432.546 1.636 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1286421699 GOOGCKZVRCQXLN-HSZRJFAPSA-N 437.548 1.759 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1286424492 WOLJCFLYIQHGTG-HXUWFJFHSA-N 432.933 1.611 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1286485092 CKRXGVFJWLBAAU-FSSWDIPSSA-N 444.624 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1286492536 IBADXCBMWFKYTD-QWFCFKBJSA-N 429.565 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1 1286561095 BKCZKKKQYPWXIG-XSLAGTTESA-N 440.566 1.218 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1286581111 FYARFXFWMULDLL-JKSUJKDBSA-N 429.612 1.909 30 10 IDEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 1286615072 FMVQDDMQSHQMDY-MJGOQNOKSA-N 426.521 1.929 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC[C@@H]2CCOC2)CC1 1286638133 VHWVRFSLVUOGKI-SJORKVTESA-N 427.571 1.488 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CC(N)=O)CC1 1286779609 KKZKOWWVBQMUKN-UHFFFAOYSA-N 442.520 1.356 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCO[C@@H](C)C2)C1 1286799763 AANLUTYXGPUIMX-XLAORIBOSA-N 441.598 1.875 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1=O 1289938173 YGNYJMXXUTZMNZ-IBGZPJMESA-N 438.406 1.286 30 10 IDEE Cc1ccccc1Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290159129 SBUATDQJMDUMPP-SLNYWTKHSA-N 449.515 1.015 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1300272012 KBRQLSOUCWRHOG-KBPBESRZSA-N 428.522 1.180 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 1300392629 DNEOWVFAWATBAA-FPOVZHCZSA-N 443.525 1.821 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 1300393946 KFDPCUOYKBJRGH-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1300489626 QMEIEZHCNJBUPM-FQEVSTJZSA-N 449.540 1.649 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnn1 1300527130 BVIOBXFNLUMFCE-UHFFFAOYSA-N 441.499 1.430 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300693540 ZXFFHRXHFJHZEM-INIZCTEOSA-N 433.965 1.788 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(SC)c2)CC1 1300706123 IWOHQUVOHQEZOQ-UHFFFAOYSA-N 425.562 1.321 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(C)c2ccccc2)CC1 1300706723 RKEUJRYVVUPJOX-HXUWFJFHSA-N 435.576 1.681 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCOC2)C1 1300824475 SZAJNWQHOSPLOK-QGZVFWFLSA-N 426.315 1.418 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301173885 LJQXDFAEZAVOPV-UHFFFAOYSA-N 440.552 1.492 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301189407 VSZRDMXWRCMTDY-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1301579165 OVLHULJRNGHDSF-KRWDZBQOSA-N 429.550 1.959 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)CC1 1302925172 YCIYWLXPGPSCNL-UHFFFAOYSA-N 444.479 1.531 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)cc1 1303563954 GRXVFBQXVFNDMF-UHFFFAOYSA-N 443.591 1.521 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@H]2CCCO2)c1 1303940429 AHWMLICYZCXPQC-YTQUADARSA-N 436.530 1.724 30 10 IDEE Nc1nc(NCCNS(=O)(=O)c2ccc(F)cc2F)nc(C(F)(F)C(F)(F)F)n1 1307102956 OALMRKLCLTXPLN-UHFFFAOYSA-N 448.324 1.777 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1313557324 FWKSSESMXYSCLX-LJQANCHMSA-N 437.548 1.882 30 10 IDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318287591 SVOUTMLDGOKDDW-IEBWSBKVSA-N 437.544 1.503 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1328404800 CDOCONMKFQBJNB-QGZVFWFLSA-N 426.498 1.687 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)O1 1351075612 HHPHNGKCBCMPEF-HOJZTQIQSA-N 437.518 1.939 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1354359765 AJSHBVPPDVEFKF-CGUCZKFASA-N 444.517 1.225 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1358930156 PKHQOXQLVFZONQ-HOTGVXAUSA-N 425.555 1.028 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1358980806 KRZAEGKYYIXKRX-SFHVURJKSA-N 436.541 1.414 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 1359044349 DCPZCJIEWCKINE-OAQYLSRUSA-N 442.608 1.748 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N(CC)CC)CC1 1359046073 CSUMFHDGEBYZNJ-LJQANCHMSA-N 437.592 1.960 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCC(=O)NC 1359295034 MUORDVQNQUAKBQ-UHFFFAOYSA-N 449.353 1.891 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2nccs2)CC1 1359299921 PRUJMPZRRFEQPF-MRXNPFEDSA-N 431.566 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1359334599 KZRVGCDKULXXLD-IBGZPJMESA-N 429.546 1.783 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCOC1 1360324973 VSMUFWFSINXPQP-PKTZIBPZSA-N 441.532 1.978 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)N2CCCc3ccccc32)s1 1442144906 FNHRSJNUOUOALA-UHFFFAOYSA-N 433.555 1.851 30 10 IDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1451312184 YWNDOGIGZZDCFR-WBVHZDCISA-N 426.477 1.025 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc21 1456203628 BZFRBPOGKKLHQW-JTSKRJEESA-N 445.541 1.923 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1464559457 YMRHDMQSKZJBRM-UHFFFAOYSA-N 437.403 1.108 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1469612247 SYWNGFCFVROZRL-ZRBLBEILSA-N 447.539 1.832 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)s1 1471385953 LTVFJSLFLDYNDT-IRXDYDNUSA-N 427.592 1.249 30 10 IDEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1B1OC(C)(C)C(C)(C)O1 1472191957 OJEXDXBLJJXYSD-HRAATJIYSA-N 430.335 1.305 30 10 IDEE N#CC1(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 1472338901 JWWCRCZCVBNVQF-UHFFFAOYSA-N 437.518 1.343 30 10 IDEE Cn1c(N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 1472904428 NHWQJCCYBPOKHF-HNNXBMFYSA-N 431.537 1.867 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(OCCOC)c(Br)c2)C1 1475667635 PMIJGSHMQKEUSK-CQSZACIVSA-N 431.352 1.850 30 10 IDEE N#C[C@@]12CN(C(=O)NCCc3ccc(OCCN4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1478322783 MRWSJPFBOIAMSB-UGKGYDQZSA-N 446.573 1.283 30 10 IDEE CCc1nc(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)no1 1498378482 YCYYAPIRAXZWAT-PMACEKPBSA-N 433.488 1.949 30 10 IDEE CCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1502420707 AFLDBSWWMUFMJH-JOCHJYFZSA-N 439.495 1.640 30 10 IDEE CN(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1503404401 KXFPZRAFFZNZJY-RXVVDRJESA-N 430.484 1.811 30 10 IDEE CN(Cc1ccoc1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1503507644 QQYJJEIXKUYXPW-FMQUCBEESA-N 439.476 1.156 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCOCCCO)CC2)c(F)c1 1505317904 DGQVYBYQRYAVTI-SFHVURJKSA-N 444.511 1.518 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CC)c1 1507520978 ITQGXTCHPIRCIX-INIZCTEOSA-N 441.561 1.918 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](OC)C2CC2)c1 1507546665 HFVRYZFYARRCJQ-IBGZPJMESA-N 438.532 1.898 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC 1507589691 YNOHHXPMHKRUGV-HZPDHXFCSA-N 429.612 1.602 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1507613359 ZAKYZJNNVCVQCB-UHFFFAOYSA-N 440.529 1.086 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1507650883 WLCHVSVPWPEWHT-UGKGYDQZSA-N 429.590 1.453 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNS(C)(=O)=O)CC1 1507733398 XJZAVBATMFBIKV-UHFFFAOYSA-N 448.618 1.183 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507936289 AMCWNGCDCUSJCL-AZUAARDMSA-N 443.596 1.469 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1508098802 RWABDDSCMYWINB-SJLPKXTDSA-N 432.569 1.809 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1508105235 MTBCEYNRDKRMTI-QGZVFWFLSA-N 426.521 1.731 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)C1 1508126244 RDBJRYTWTBCPMB-SJORKVTESA-N 449.552 1.893 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1508152225 JZPSRGODRIPVBR-GDBMZVCRSA-N 439.611 1.883 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1508389858 PXMMADZMEZNXBN-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CN(CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1F 1517290468 HOWQBPHHPXYRNH-QGZVFWFLSA-N 441.511 1.908 30 10 IDEE COCC1=CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1518822507 SNYIFTOUSRTNST-JLUOLNIDSA-N 442.520 1.481 30 10 IDEE COCCOCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1519399550 JLAXJXUMZAKCNW-LJQANCHMSA-N 441.536 1.428 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(I)c2)C1=O 1529614014 PRWGHXZYSUVKDF-UHFFFAOYSA-N 447.616 1.860 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CCOC 1539002163 QORJNWHJGNQLJE-MRXNPFEDSA-N 433.582 1.274 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539132321 IFEJFVGKHFHAOH-QGZVFWFLSA-N 436.524 1.085 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539221632 QTYJVXBDUQJVDQ-QZTJIDSGSA-N 433.509 1.729 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539230491 HZVOMAMYQOMPRX-VQTJNVASSA-N 444.557 1.973 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1539360049 YFGZBZQCEOUKMU-OAQYLSRUSA-N 425.514 1.502 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CC=CCC2)CC1 1539430455 KCQYMGWNELQNHI-HSZRJFAPSA-N 428.581 1.336 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)CC1 1539445665 BTQFXEVKPIIQAV-MRXNPFEDSA-N 445.474 1.072 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1539520870 VETBBGLMMWZZDE-KRWDZBQOSA-N 426.546 1.458 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CC2)C(=O)C1 1540866718 XYPDZJSHMHDDRK-UHFFFAOYSA-N 432.887 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2)CC1 1540901406 CGJYGAQDJRSSSH-UHFFFAOYSA-N 441.561 1.606 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1541106599 ZGVCOMYGHBULSC-UTKZUKDTSA-N 443.573 1.894 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1541112505 IABUGGVCKHFOHT-QZWWFDLISA-N 449.581 1.029 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1544248678 XOZVGXNRSXOCCP-KRWDZBQOSA-N 435.525 1.930 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545389853 OSOIVENYXHSVST-QNFQYOLSSA-N 427.509 1.033 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1554405727 GYFCLEYBEHZDKY-QHCPKHFHSA-N 448.531 1.781 30 10 IDEE COCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555218596 QBGUPCBFAFKLHJ-MRXNPFEDSA-N 425.493 1.437 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2c(s1)COCC2 1558481748 ZMXYNKGUKLXPEX-HNNXBMFYSA-N 448.570 1.985 30 10 IDEE CCCN(C(=O)[C@H](C)N1CCN(c2ccc(F)cc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 1560077265 GHFZRZCDVOUVFG-LPHOPBHVSA-N 436.553 1.634 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1561089905 ALGLTZRKELVOAZ-OALUTQOASA-N 434.562 1.920 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)cc1 1565227253 CSDKWLIIRCEKJG-CTNGQTDRSA-N 449.559 1.778 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N3CCN(C(=O)CC#N)CC3)CCC2)C1 1566317883 MFBFIPZLMQPZCB-JOCHJYFZSA-N 434.537 1.503 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1587561308 CLVUNKLEJDRSLZ-HZPDHXFCSA-N 427.534 1.580 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(NC(C)=O)CC1 1587848186 ZEGJEMGDFVHCFQ-UHFFFAOYSA-N 443.577 1.757 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1588044932 DBUHBYDSMBBLSD-AWEZNQCLSA-N 425.461 1.249 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1611331587 KHNUAUNBZUYVAK-QGZVFWFLSA-N 425.537 1.629 30 10 IDEE CCc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1Cc1ccc(C#N)o1 1613955643 UGWXOTFKOADPGJ-UHFFFAOYSA-N 439.520 1.294 30 10 IDEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614465090 ADHLLVLYTWRLEA-UMGHAKIESA-N 447.572 1.762 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619774458 BRHDWODELUBDJG-LHSJRXKWSA-N 428.493 1.104 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cn(C2CCC2)nn1 1628160524 UFEOZRMGJKEUDS-KRWDZBQOSA-N 430.534 1.917 30 10 IDEE COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1628547592 HIQRWIYENGMARE-QGZVFWFLSA-N 433.486 1.914 30 10 IDEE COc1cc(-c2noc(CCC(=O)N3CCN(C(=O)CC#N)CC3)n2)cc(Cl)c1OC 1631231616 QLAJCZDWVRCNSS-UHFFFAOYSA-N 447.879 1.924 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 1636107597 KWBTWBUXYFYCJL-HNNXBMFYSA-N 444.550 1.262 30 10 IDEE N#Cc1cn(C2CN(C(=O)CCCOc3ccccc3Br)C2)c(=O)nc1O 1637506121 PAHDQBXRYCYPIL-UHFFFAOYSA-N 433.262 1.826 30 10 IDEE C#CCN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638327504 HXBCGSMPXFUGCS-UHFFFAOYSA-N 434.537 1.958 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)ccc1F 1638598575 LFOGSVOHTJKHEK-AWEZNQCLSA-N 431.511 1.149 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)CCS2(=O)=O 1638897915 POOMKGAITKMSCD-UISNHOIMSA-N 449.529 1.132 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCNC(=O)OCc2ccccc2)[C@H](C#N)C1 1639076767 CUIGCULGUUOFAX-IAGOWNOFSA-N 431.493 1.971 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1640084657 DJSSLOASSMTFSX-GOEBONIOSA-N 428.489 1.662 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccccc3Br)n2)CC1 1640201944 RXDJJAJZHFONFV-UHFFFAOYSA-N 444.333 1.450 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CN2CCCC2=O)C1 1641789820 HBONVVQNDSFQGR-AEFFLSMTSA-N 446.573 1.755 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c1 1642686486 GYOZTSQPXYSZMT-RTBURBONSA-N 442.541 1.796 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2nc(O)c(C#N)cc2C)CC12CN(C(=O)OC(C)(C)C)C2 1645414216 SXOBZSXPWARCHQ-AWEZNQCLSA-N 430.461 1.449 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 1647791469 IWYLZAMILHQLPJ-QGZVFWFLSA-N 426.498 1.308 30 10 IDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@](C#N)(c2ccccn2)C1 1647980704 IKBPEZKDYFHEAZ-VGOFRKELSA-N 441.557 1.334 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 1653922132 KKEZFYSHFGCFLJ-OAHLLOKOSA-N 428.514 1.917 30 10 IDEE CN(C)[S@](C)(=O)=NCC1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1655054317 AZHAZJSFZOZUID-WJOKGBTCSA-N 443.577 1.969 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1666053070 CNQCOAUZUDOUBH-UXHICEINSA-N 435.546 1.041 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)CC1 1667045144 WXWMPSHXNUWZKK-UHFFFAOYSA-N 429.502 1.799 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 1679303369 BAIUQNCSJDRRSJ-FQEVSTJZSA-N 433.578 1.008 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)c(=O)nc1O 1684691333 AKZJMMXTFPAFCU-RRFJBIMHSA-N 430.262 1.221 30 10 IDEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689917697 CRNKSDUWDBMLHK-LJQANCHMSA-N 434.544 1.803 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690673742 CFAPMUJUKLGDCK-QGZVFWFLSA-N 443.596 1.102 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1690717357 CTVRVIKFYAHGHR-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1693812108 WSJARYMIESUHRT-YTVJILMNSA-N 430.509 1.660 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1696785281 HSORWMRHOKFIIM-UHFFFAOYSA-N 425.518 1.720 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1705546552 LYTOHKKRJFJYCT-HSZRJFAPSA-N 425.533 1.885 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1705565279 GGHRKCAGYWUBQI-IBGZPJMESA-N 427.530 1.789 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705640368 ORLIZOVOEXIAEE-LAUBAEHRSA-N 445.514 1.954 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)NC)c2)CC1 1705642460 VEEKNHXVZLBXQL-UHFFFAOYSA-N 446.559 1.303 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(=O)(=O)CC 1705693665 JJFJIXMEAZRXPE-DLBZAZTESA-N 439.582 1.366 30 10 IDEE CC(C)[C@@H]1C[C@H]1n1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706875195 IQZLCPYJRYCAJW-YLQAJVPDSA-N 445.549 1.640 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC(F)(F)C(F)F)CCO1 1712884184 IADHUJVGUQVMNG-CQSZACIVSA-N 428.390 1.910 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722300526 CWZWDHHDNIEHAB-QGZVFWFLSA-N 446.573 1.470 30 10 IDEE C#CCCCCn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1722318815 FUVSFYARXVUFMT-IBGZPJMESA-N 435.594 1.665 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1722350751 CTHJXAQGQXZKFE-IBGZPJMESA-N 446.577 1.207 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722360188 DUHWHLVUNCUZMF-AVRDEDQJSA-N 443.573 1.908 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722367905 OYWUJEUEWJDWHH-IAGOWNOFSA-N 433.534 1.452 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@@H](C)C1 1722407893 VLPIJHRPKXPJSQ-IBGZPJMESA-N 449.563 1.881 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCCC2)CC1 1722428766 AHMQIZWVJVMYEI-UHFFFAOYSA-N 441.580 1.062 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722696444 NQHUKWSCABCGQX-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@](C)(O)CC)CCOC1 1728797781 QAQFQEFHKAPEKR-YADHBBJMSA-N 442.520 1.626 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740589996 HQPILUAPEJGEOV-FQEVSTJZSA-N 428.581 1.720 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1740610203 UKPHUSYIOLDJOS-GOSISDBHSA-N 429.546 1.412 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1741000624 UPRCRIPDTWRMBN-MRXNPFEDSA-N 442.549 1.421 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1741133267 PKMZDDQTOMWHMY-RDJZCZTQSA-N 444.540 1.964 30 10 IDEE CC(C)N1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741628197 OXZXDGQONTZJOY-MRCUWXFGSA-N 427.553 1.678 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1741801388 AGJHUVCVHPPLFL-BRWVUGGUSA-N 447.565 1.319 30 10 IDEE Cc1cccc(C)c1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1742306964 CLNRCHPTOJTWQT-DLBZAZTESA-N 448.549 1.313 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNS(C)(=O)=O 1743745530 AUGBVKRCVAXRNE-MRXNPFEDSA-N 446.581 1.324 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1748791680 ZVOMJQZYNWYUEV-INIZCTEOSA-N 448.545 1.518 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2(O)CCCC2)n1 1748970755 QPJWHCVVNINMPJ-UHFFFAOYSA-N 438.536 1.466 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCNC(=O)C2CCC2)CC1 1749005244 UBLUGNXPDFEHMK-UHFFFAOYSA-N 428.581 1.848 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749033792 MTNLKYSUHXUURW-LSDHHAIUSA-N 432.575 1.938 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1749455046 RHADVSAUXJEUHE-JOCHJYFZSA-N 437.504 1.888 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1749599818 MHPBZCUNKYGBLB-HNNXBMFYSA-N 425.942 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1749664706 XPNPTWDUBIWWSJ-OAHLLOKOSA-N 429.525 1.689 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749683309 OYGOFIJTUYHORJ-HZPDHXFCSA-N 434.541 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(N(C)C(C)=O)CC1 1749735920 DCOKZRYGRRPOSE-UHFFFAOYSA-N 446.577 1.312 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1750948073 DBDJDJPMTDIAQD-MRUHUIDDSA-N 435.548 1.746 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(=O)N(C)C)cs1 1751781673 JAOGZKDLMBDCHQ-KRWDZBQOSA-N 428.566 1.289 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCNS(C)(=O)=O 1760146475 NNTNUAKQDISJOI-UHFFFAOYSA-N 443.371 1.445 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760181942 FLWLVTKXFSSAMZ-ROUUACIJSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1760184462 XONHNLJSBYILJJ-FUHWJXTLSA-N 434.566 1.310 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl 1760249281 YQXZQVIMKMHRJJ-UTKZUKDTSA-N 431.924 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC=CCC1 1760554661 JMNUFHJHBBDUQR-IRXDYDNUSA-N 442.607 1.574 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CCO1 1760669185 VBHCKBANIRRILY-KRWDZBQOSA-N 441.879 1.848 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1765732472 UVXJPSCDKYVAMW-IBGZPJMESA-N 442.520 1.931 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766864839 HNXGYNALMCGMJK-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1767234035 UKTSQPQCMNNGJZ-UHFFFAOYSA-N 427.509 1.067 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC[C@@H]1C 1769086136 ONFNRNJZPDPHMW-LPHOPBHVSA-N 444.561 1.713 30 10 IDEE O=C(Cn1c(C2CC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)NCC(F)(F)F 1770811251 GXERCEJLILNKCW-UHFFFAOYSA-N 446.371 1.856 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1771353337 GSHDJARDHZMGEX-AEFFLSMTSA-N 442.545 1.214 30 10 IDEE C=CCC1(S(=O)(=O)N=C(NOCc2cc(=O)n3ccccc3n2)c2cccn2C)CC1 1853457432 ZGFSRFYKQMZASU-UHFFFAOYSA-N 441.513 1.940 30 10 IDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1 1855734519 QWXRSAJDGSXFKP-OAHLLOKOSA-N 427.482 1.558 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCN(CC)CC)c(C(=O)OCC)c1C 1860760826 DSBGFLDPKZRYNJ-UHFFFAOYSA-N 439.534 1.973 30 10 IDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CC3CCS(=O)(=O)CC3)sc2c1 1866195656 OMTYPVVDXBHKJO-UHFFFAOYSA-N 443.572 1.914 30 10 IDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)CN1C(=O)c2ccccc2C1=O 1873710837 WJODLTZPXODADH-UHFFFAOYSA-N 440.481 1.064 30 10 IDEE Cn1cc(Br)c(S(=O)(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)n1 2121895948 KWTHKTNXVAFVME-NXEZZACHSA-N 432.149 1.895 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247918043 HVJIIQWSEOQICD-QWHCGFSZSA-N 439.343 1.464 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247921966 YPSONZYDOSRQKN-STQMWFEESA-N 439.343 1.152 30 10 IDEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255544890 HLNVWJLPHYRDKY-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE CCON(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255619716 RPQVJUJQQKIDCC-UHFFFAOYSA-N 436.318 1.722 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2CC[C@H]21 2255630524 LJARTBMXMWZZPS-LSDHHAIUSA-N 432.330 1.933 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266994603 XCWMXDDPGFAETN-UHFFFAOYSA-N 443.313 1.803 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267151681 ZPFCCONKANIEBV-IMJJTQAJSA-N 446.357 1.940 30 10 IDEE Cc1ccnc(C(=O)NCCOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267509036 OMOYMGDMBRXPNR-UHFFFAOYSA-N 449.357 1.960 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2267536838 MNAAUUYTUNTQIT-CYBMUJFWSA-N 447.345 1.386 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267548370 RETWCDRJMMZZST-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE CC[C@@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN(C(=O)OC(C)(C)C)C1 2267597582 RGTJNVOPSDLKNM-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267605280 LSFNHZSCRIBPDI-HOCLYGCPSA-N 444.341 1.857 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2269067466 RCUNNWUQFAFQTR-QGZVFWFLSA-N 443.309 1.602 30 10 IDEE CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN(C(=O)OC(C)(C)C)C1 2315531033 NOSBDONNGQLWOS-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2cc(Br)ccc2OC)c1=O 2321656132 DNJDAJIHFCRHDN-UHFFFAOYSA-N 427.280 1.686 30 10 IDEE C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 22895607 BUUMDJSAXBSCKA-MRXNPFEDSA-N 426.494 1.728 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 109937936 ZGUYGWFUYRBEMW-MRXNPFEDSA-N 441.513 1.653 30 10 IDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409642603 ZEYIBVIHRJDXHN-QGZVFWFLSA-N 431.541 1.104 30 10 IDEE Cc1ccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1S(=O)(=O)NCC#N 427170752 NFNWUVYLSRMMAK-LJQANCHMSA-N 434.562 1.514 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)cc1C#N 461358757 AGITXEZDLHOPGC-UHFFFAOYSA-N 431.473 1.722 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CC2)c1C#N 472017414 OUFHMEKRHINCBQ-UHFFFAOYSA-N 439.524 1.210 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 472760860 AXBKXWGRAKONNH-UHFFFAOYSA-N 434.909 1.015 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3ccnc(C#N)c3)CC2)cc1OC 475922586 TXVACGAZWUEVFI-UHFFFAOYSA-N 444.513 1.801 30 10 IDEE CC[C@@H](CO)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 478424412 BUUYBOQRIKXBIM-KRWDZBQOSA-N 427.505 1.938 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cs1 478752714 GVYKSCVUWAWOMT-GOEBONIOSA-N 445.566 1.353 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCN(c4ccncc4)CC3)cc2C1=O 498513033 FTYHDMYOMFHSLU-UHFFFAOYSA-N 433.512 1.806 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2OC)CC1 508906996 KCFSJKSZMAYRIS-LJQANCHMSA-N 442.520 1.321 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCn2nnc([C@H](NC(=O)c3ccccc3)C3CC3)n2)c1 513785093 FUYMLBZVFBOGNQ-LJQANCHMSA-N 436.497 1.900 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccccc1 531884504 XLIUCWFVRZKEGZ-UHFFFAOYSA-N 448.548 1.317 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 549265733 IRLOACSYTBPZOE-RTBURBONSA-N 447.561 1.765 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 549279089 FBEGCSNAGFDCMF-LSDHHAIUSA-N 426.587 1.596 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCCO3)CC2)nc1 555485998 YHZSSCFPFLSOCR-OALUTQOASA-N 439.520 1.528 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 555947053 CPJDZOJKBKRESS-UHFFFAOYSA-N 430.305 1.447 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 559896887 CKKSJUUAPHCJQN-KRWDZBQOSA-N 443.956 1.868 30 10 IDEE C=CCNC(=O)CN1CCN(c2ncnc3cccc(I)c23)CC1 573857233 UYNYWSAGHOLYLA-UHFFFAOYSA-N 437.285 1.659 30 10 IDEE C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(NC(C)=O)ccc1OCC 583925163 HFEIEHNTLILLLI-GOSISDBHSA-N 430.548 1.798 30 10 IDEE C=CCNC(=S)NCCNC(=O)c1cc(OC)c(OC)c(OC)c1Br 586403914 GIVKWKIEGPJZFJ-UHFFFAOYSA-N 432.340 1.855 30 10 IDEE CC(C)CN(C(=O)Cn1cc(Br)cc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 589258793 MWCSXVWFWCAECU-AWEZNQCLSA-N 430.324 1.154 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@H]1CCCO1 590915832 VZLWIOOKXGNXEZ-GFCCVEGCSA-N 435.958 1.585 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc2c(c1)OCO2 604995081 ZLDYTDZPVCPSBP-UHFFFAOYSA-N 437.502 1.956 30 10 IDEE Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 608879389 JUEZXHBUOCUVBD-QGZVFWFLSA-N 430.511 1.668 30 10 IDEE Cc1cc(S(=O)(=O)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)s1 733859649 ZZUPZHPXCYXVQK-OAHLLOKOSA-N 446.510 1.947 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cn1 734600481 CQAHWMRKZSZPON-UHFFFAOYSA-N 442.497 1.601 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccnn1Cc1cccs1 741341477 CHCUJRHTABKIEI-HNENSFHCSA-N 429.458 1.391 30 10 IDEE COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C#N 747071565 ZJZKKOJDIZEZRI-UHFFFAOYSA-N 442.541 1.498 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)ccc2c1=O 752721782 FTOUPGZPCIWMBR-ZSEKCTLFSA-N 441.513 1.322 30 10 IDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCc1ccc(OC)c(C#N)c1 761310640 IEQHZBKKFGWYAT-UHFFFAOYSA-N 439.515 1.816 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(I)ccc1F 762212933 HDAMZUDATHTRMD-FYWRMAATSA-N 429.189 1.687 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1NC(=O)OC(C)(C)C 765673182 KSOOVMAIRBQOMD-RHSMWYFYSA-N 436.534 1.864 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c(C)c1 768420494 GDELFKMGOOHFHM-QGZVFWFLSA-N 443.577 1.632 30 10 IDEE C#CCN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 774211925 VXDOADZYJXMCIZ-DOTOQJQBSA-N 437.537 1.680 30 10 IDEE CCn1c(COC(=O)[C@H](O)c2ccc(C#N)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 780207828 ZJYSCZJXOYXIIF-HXUWFJFHSA-N 442.497 1.955 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(F)cc(F)c1Br 785987249 GWVWOEYONUNYFL-BUHFOSPRSA-N 443.204 1.308 30 10 IDEE C=CC[C@]1(C(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 791716111 BIYPMONQSHVISJ-OPAMFIHVSA-N 437.537 1.955 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1Br 798429709 JDKPPCSKLGYAKW-LLVKDONJSA-N 426.741 1.914 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C)[C@H]1CCS(=O)(=O)C1 809881203 ZSONAOUAIUVZJN-ZDUSSCGKSA-N 439.335 1.880 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3ccc(C#N)c(F)c3)ncnc1-2 810252321 BTSOPOCQDAXSLD-UHFFFAOYSA-N 433.245 1.744 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 812178669 CXBBIRDQAZZJPS-HZPDHXFCSA-N 448.524 1.803 30 10 IDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812307284 CVIDKLOIANRFGU-ROUUACIJSA-N 445.501 1.659 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccc(F)cc1 812938286 KWPIWFIPYNVAPX-SFHVURJKSA-N 431.493 1.798 30 10 IDEE Cc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)cc1F 839359153 DVPBNIDDUDQJGE-UHFFFAOYSA-N 428.452 1.954 30 10 IDEE CCN(C)Cc1cc(O[C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)ccn1 856585633 KRDLGQIJKUKGEP-PKTZIBPZSA-N 442.608 1.679 30 10 IDEE N[C@H]1CCCC[C@@H]1N/C(=N/CCc1ccc(O)cc1)Nc1ccc(S(N)(=O)=O)cc1 1088685234 UXGRSEGLRRBJSJ-PMACEKPBSA-N 431.562 1.910 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1 1146718630 DCWLXNVGDMKWMI-FQEVSTJZSA-N 429.542 1.648 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1ccc(C)c(B3OC(C)(C)C(C)(C)O3)c1)C2 1156576745 VSDDMNLFDVTZOR-GAJHUEQPSA-N 429.322 1.946 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)Cc3cccc(OC)c3)CC2)c1 1167244105 GPUYLAXLZWRLAB-UHFFFAOYSA-N 434.496 1.712 30 10 IDEE Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1189977868 YZTOMKLUGAVZNN-UHFFFAOYSA-N 440.544 1.456 30 10 IDEE CCOC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1264645170 LNXFASBMCZGNMJ-VHAMKEJYSA-N 440.547 1.969 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1OC 1286280058 SOALSMOSUCVZRY-WDYCEAGBSA-N 432.546 1.858 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1c[nH]nc1C 1286370734 QCJLFWARRMCPHX-UHFFFAOYSA-N 426.550 1.972 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1286394228 OBEYKIRRWCUIRT-JKSUJKDBSA-N 449.508 1.022 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1286419161 XTIQQBHXTQKONI-UHFFFAOYSA-N 439.339 1.048 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286499986 MWJIUILACXHMMW-INIZCTEOSA-N 442.545 1.543 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCOC1 1286567261 SYZONXZOLQEXHO-OAQYLSRUSA-N 449.577 1.749 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286785557 GNQSIDHBQINUGK-SJLPKXTDSA-N 432.569 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286787510 VQNCHDNFWACHLT-GOSISDBHSA-N 432.532 1.748 30 10 IDEE C=CCSCCn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286832471 UEWSDVRIJOENIW-UHFFFAOYSA-N 434.610 1.700 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1286920468 WQNPMOCLEBETPD-UHFFFAOYSA-N 426.521 1.996 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1286966570 ATFRESMMXBCGAD-ARFHVFGLSA-N 447.540 1.461 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)(F)F 1287432255 KDIZYODUOZNEGP-UHFFFAOYSA-N 437.426 1.690 30 10 IDEE CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1287741742 OJBKVSLOPDCDNA-OAHLLOKOSA-N 427.509 1.622 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1288517784 GEUADYAGHKJFTN-PXNSSMCTSA-N 437.548 1.848 30 10 IDEE COc1cc([C@H](C#N)NC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)cc(OC)c1OC 1292362988 YZWVZMMBUJFEII-WMLDXEAASA-N 425.507 1.500 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1292525257 QWXGOHYQYAVEAF-LQTLECTNSA-N 447.499 1.763 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)C1 1296689292 JIYQJTRGRSIKCR-CQSZACIVSA-N 434.323 1.587 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1COCCO1 1300299290 NLSILFQODOFWJE-JKSUJKDBSA-N 432.550 1.502 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1300479972 WJOCNMLFHDXBFJ-YESZJQIVSA-N 442.545 1.769 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1300488067 ONEIQASFVYXQNR-INIZCTEOSA-N 427.534 1.299 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300489404 NHVUZZZXQRLSJY-WIYYLYMNSA-N 427.530 1.604 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1300496630 SOOULIYCEUYSPB-IAGOWNOFSA-N 426.608 1.942 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1300497295 YCAYUOYKWOOTMH-ZWKOTPCHSA-N 430.530 1.357 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C)nc2)CC1 1300727344 XQAOSYDFDVVPPY-UHFFFAOYSA-N 429.528 1.981 30 10 IDEE C#CCSCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1300778261 QOCAVSVVMNIUSJ-JOCHJYFZSA-N 447.605 1.745 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@H]2C(=C)C)C1 1301538167 FWEMJKCBLMSSRR-MLHJIOFPSA-N 439.582 1.651 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)cs1 1304651812 OHIRVKZCJSVRFR-XJKSGUPXSA-N 437.595 1.796 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OC 1309762278 RXPXGCUUQUIDRW-ZWKOTPCHSA-N 440.518 1.451 30 10 IDEE CN1CCN(c2ccc(Br)cc2NC(=O)NCCn2cnc(C#N)n2)CC1=O 1310986513 AUUAQSOHQANWJR-UHFFFAOYSA-N 447.297 1.012 30 10 IDEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)N2CCO[C@@](C)(C#N)C2)CC1 1312733441 KEEFRIJICLAGMH-IERDGZPVSA-N 434.562 1.940 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC[C@@H]2CCOC2)cc1 1316529812 DOXVLYMEDJHOHT-SFHVURJKSA-N 445.545 1.495 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1358959667 NLATVEFPZGLCAL-QGZVFWFLSA-N 442.520 1.998 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCS(=O)(=O)C1 1358971397 SZNWSXFWMHWDNK-QGZVFWFLSA-N 434.525 1.843 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1358995841 IAPCPRHXJQYRFA-UHFFFAOYSA-N 448.552 1.705 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1359021157 DOQLHTDVPJTYHN-UHFFFAOYSA-N 432.912 1.328 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(C)CN(C)C2=O)CC1 1359047192 VVIGJRGJNRDTHR-QHCPKHFHSA-N 426.565 1.455 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359096510 CPRLPTWCMKYLMD-RYRKJORJSA-N 447.565 1.234 30 10 IDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359124561 NCHMIPFWXIYUQS-UHFFFAOYSA-N 442.495 1.500 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3ccc4nncn4n3)CC2)nnc1C(C)(C)C 1359137395 OLUVSZFNLCXVPT-UHFFFAOYSA-N 425.541 1.933 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1359291656 ZFFJYYLRWDKYQA-UHFFFAOYSA-N 433.516 1.884 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC=C(Br)C2)nnc1[C@]1(OCC)CCOC1 1359305551 GMYOCZJWGKQKPO-SFHVURJKSA-N 440.342 1.721 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359311926 KYPZFEBMQUVVNO-IXDOHACOSA-N 428.493 1.247 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)OC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359335208 DIOXLHOVGJDZGR-OKILXGFUSA-N 429.543 1.647 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1360475988 GIFZNBFZNVTRBE-KFWWJZLASA-N 443.474 1.621 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1448355931 NTPLUVJWAKRHAF-AUSIDOKSSA-N 427.501 1.137 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)CC1 1449080927 CVLIBEBLJUYCHG-UHFFFAOYSA-N 444.539 1.759 30 10 IDEE C#CC[C@@]1(C(=O)NCc2nnc3ccc(N(C)C)nn23)CCCN1C(=O)OC(C)(C)C 1456226523 DPAPOFNSDGPOER-NRFANRHFSA-N 427.509 1.600 30 10 IDEE CCOC(=O)C1([C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1456545582 DHHGAVQTPFZEGC-GJZGRUSLSA-N 437.518 1.090 30 10 IDEE Cc1ccccc1C[C@@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1459208487 FGYHANXZWSHUAV-MRXNPFEDSA-N 440.500 1.279 30 10 IDEE CS(=O)(=O)c1ccc([C@@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)CCO2)cc1 1473670528 NHKJFFLANFTUFC-FQEVSTJZSA-N 434.539 1.809 30 10 IDEE COc1ccc(NC(=O)CN2CCc3c(sc(N)c3C#N)C2)cc1S(=O)(=O)N(C)C 1473857830 CXMXCLDLWQTYFJ-UHFFFAOYSA-N 449.558 1.458 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1507653082 LKHGHJHBGGHXDI-HRAATJIYSA-N 446.960 1.814 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1507654409 FATKNGUMZWAMOA-UHFFFAOYSA-N 432.484 1.084 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1N1CCOCC1 1507710787 VIKTZQHJHBIFAJ-UHFFFAOYSA-N 449.559 1.958 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)CC1 1507725350 UDGUZOSIZOZOGS-UHFFFAOYSA-N 438.536 1.785 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1507962686 VUAYJTRGUFLDAW-SFHVURJKSA-N 443.552 1.749 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1507997616 CEQZFJJSNAGDQV-XUVXKRRUSA-N 441.532 1.970 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1509955594 SQMFEYREHCWJTI-ZIAGYGMSSA-N 449.537 1.168 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1513977792 CUOWYYVIJBIHTQ-PGRDOPGGSA-N 440.504 1.249 30 10 IDEE CCCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1514540538 KATANIPLNXKFSP-SFHVURJKSA-N 438.536 1.639 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517471470 YPCUKAGBCHEQAY-AYAKEVCGSA-N 443.552 1.356 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCSCCCO)c1 1521076356 WORQMQBRJJTOEU-OAQYLSRUSA-N 426.546 1.649 30 10 IDEE C#C[C@H]1COCCN1C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CCCC 1528148116 SSJGBAKTJRHJDE-INIZCTEOSA-N 429.521 1.692 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2c(Br)cnn2C)c1 1528411660 GXDYKKTWWXOQTL-UHFFFAOYSA-N 445.317 1.598 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cc1 1535243171 QVNOJCAVOXPJTI-OAQYLSRUSA-N 442.479 1.984 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1538971423 HBDULABPMMHVJC-NWDGAFQWSA-N 430.456 1.808 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539212119 RVTBNWGZXJZLGG-ZWKOTPCHSA-N 429.546 1.926 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539222843 XJIVBJPUMOTTGB-MSOLQXFVSA-N 445.520 1.238 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCOC2)CC1 1539462078 BNEPNVKTRLGROE-GBESFXJTSA-N 444.580 1.841 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)[C@@H](C)CC)CC1 1539462848 MKJAIAZMWDQGEI-HKUYNNGSSA-N 444.580 1.541 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)F)CC1 1539882602 QGAYARZWJHFMEP-UHFFFAOYSA-N 443.462 1.705 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540040036 MINYNFIHASILIE-HXUWFJFHSA-N 440.548 1.684 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1540067226 ADXGWLZQUFWUFA-UHFFFAOYSA-N 449.529 1.595 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1540863318 TZXAPPMGKYCXDP-KSFYIVLOSA-N 445.495 1.855 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc(Cl)nc2C1 1540873818 KVULLZUCXGMHLL-UHFFFAOYSA-N 429.912 1.314 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)C1 1540892014 CXMCVXPSGGZPKZ-CVEARBPZSA-N 439.582 1.124 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541177534 HWLXSSRFLZUVHI-VHEBQXMUSA-N 425.493 1.944 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@](C)(O)c1ccco1 1541925356 AZZUMRSUOSJQKU-LIRRHRJNSA-N 436.538 1.519 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3cc(S(=O)(=O)NC4CC4)ccc3O)CC2=O)cc1 1546114443 NBNOTVHHBMVVEK-CQSZACIVSA-N 440.481 1.696 30 10 IDEE COC[C@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555280796 OKYYDNVWVUCYMG-QGZVFWFLSA-N 440.483 1.659 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc(-c4cnccn4)n3CCOCCCO)CC2)cc1 1555989194 BRQWGFAWYOEJDU-UHFFFAOYSA-N 448.531 1.328 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1555992764 BIXUCDWLCCUTNL-DZGCQCFKSA-N 446.449 1.876 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 1556885430 DVDAYSWKPZRTNW-UHFFFAOYSA-N 433.511 1.885 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1557105159 KIQJHNARAMHVCY-XIRDDKMYSA-N 428.938 1.580 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)S(=O)(=O)c1ccc(C#N)cc1F 1561644908 BIALUFSFLSQPCA-UHFFFAOYSA-N 431.442 1.183 30 10 IDEE N#Cc1c(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)[nH]c2ccccc12 1585253979 GTOVWUOCSDFQEN-MRXNPFEDSA-N 430.530 1.391 30 10 IDEE C#CCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1587872221 BCPSSLYWBZUCDU-UHFFFAOYSA-N 434.591 1.920 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1588011908 OHHRLLCMEWMTAP-INIZCTEOSA-N 425.459 1.472 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(COC)CCOCC1 1588109477 FMHLQUPWMANVIV-UHFFFAOYSA-N 446.515 1.437 30 10 IDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1588975664 IONNRFXKTSYPSE-QGZVFWFLSA-N 432.594 1.429 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCS(=O)(=O)C1 1589609058 UAPWMKSBZWUDBQ-LJQANCHMSA-N 435.506 1.805 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2sccc2C1 1609506649 FGGQAYGUDQCXBR-MRXNPFEDSA-N 429.550 1.265 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1609975814 UPTZXBZWHNZRKY-RJCBAWPRSA-N 445.524 1.007 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1610981988 UYCWMLSXLRIQOX-VRTBNJGNSA-N 446.552 1.732 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCC(F)F 1616923243 XQHUMVDMCYVVEJ-CQSZACIVSA-N 436.467 1.473 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)CC1 1626966607 JBAYSMJYVXAAOM-DYXWJJEUSA-N 446.592 1.696 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)N=S(C)(C)=O 1627102639 JBCMPIYQUJMXJY-UHFFFAOYSA-N 432.296 1.469 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC 1628003886 DGOSEOQXINRSKC-OAHLLOKOSA-N 439.534 1.990 30 10 IDEE CC(C)(CC#N)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1629553497 CTSYEMUAFDZPIM-HNNXBMFYSA-N 449.982 1.478 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cncc(OC)c3)CC2)s1 1631146510 YXBISRQTXGQKKS-UHFFFAOYSA-N 436.559 1.507 30 10 IDEE C=C[C@@H](COC)NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1634542300 CMSMKHWGQNLXLY-INIZCTEOSA-N 425.530 1.187 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)c1 1637259316 SVDMAJWSWJVVRB-UHFFFAOYSA-N 427.482 1.923 30 10 IDEE C#CCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nnn(C)n3)c2)cc1 1639451525 OXEMZKBLLFUKQP-UHFFFAOYSA-N 426.458 1.665 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CO)(C(F)(F)F)CC1 1639843013 AFSZXZMLPQKOOV-UHFFFAOYSA-N 433.452 1.669 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOC2(CCN(C)CC2)C1 1639853764 SZJHQXLUVHKPGC-GOSISDBHSA-N 448.589 1.607 30 10 IDEE C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155464 HTDZVZINRZTBMX-FHSNZYRGSA-N 425.507 1.283 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 1651801980 PAFCRNQMFXEUKM-AWEZNQCLSA-N 440.363 1.717 30 10 IDEE CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 1653144460 BOLDXKJMMJDRHO-DOTOQJQBSA-N 448.545 1.399 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1653964784 VWXPFPDXUDAAEQ-BTYIYWSLSA-N 431.493 1.364 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1654503972 SXPZKVQJICKGJK-RTWAWAEBSA-N 433.574 1.331 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 1659339060 YIYTWQHBKOEPGK-UHFFFAOYSA-N 426.466 1.641 30 10 IDEE N#Cc1cc(S(=O)(=O)NC[C@]2(N3CCOCC3)CCSC2)ccc1Br 1660993872 AXLJZODCLUJHBY-MRXNPFEDSA-N 446.392 1.807 30 10 IDEE C#CC[C@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1674841757 TZSOLFIZDMGOOM-MRXNPFEDSA-N 428.493 1.475 30 10 IDEE O=C1C=COC2(CCN(C(=O)NCCNC(=O)c3ccc(Br)cn3)CC2)C1 1683797964 LFPQNCQQWKMAMO-UHFFFAOYSA-N 437.294 1.621 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1690001770 RTNXBZAXARGKDJ-UWJYYQICSA-N 429.546 1.259 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1690019905 UJZGSCFIMAWOHX-SFHVURJKSA-N 435.509 1.956 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCSC1 1690104275 RNGBKHFNMIJIKO-RXVVDRJESA-N 430.530 1.745 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1690251355 TXKWILXIJVUXEG-HNAYVOBHSA-N 444.561 1.529 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690308168 DIHVAUSVZKPWMW-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1690548547 FMNNZPVHIVCQBW-INIZCTEOSA-N 442.486 1.818 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690720679 PTFOJDMVYALPHR-LJQANCHMSA-N 445.589 1.704 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1691259952 VASFYSSOPQZOCB-HNNXBMFYSA-N 428.497 1.769 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1696847564 LCXATIDUZRZGAA-NSHDSACASA-N 444.293 1.871 30 10 IDEE COCCCN(C)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697988722 LKPZAZAUGOWAOG-IBGZPJMESA-N 426.569 1.428 30 10 IDEE C#CCN(c1nnc(C)n1CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1705560545 HYYMACNTPQAPBO-QGZVFWFLSA-N 430.530 1.920 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1COCCO1 1705605859 TVZZOEHDESENBI-MRXNPFEDSA-N 432.550 1.422 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1705620317 QSUNJHGAXCGSRB-GOSISDBHSA-N 449.552 1.842 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1705631027 OQZSDIVYVZUVRN-IXDOHACOSA-N 446.552 1.271 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCN2CCOCC2)CC1 1705634233 OCCCWKVQDCPULC-UHFFFAOYSA-N 438.576 1.821 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1705884560 RNNBVNOUSSFUOK-IBGZPJMESA-N 449.577 1.607 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705899104 IAFNGDBEFPIYQW-UHFFFAOYSA-N 437.548 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2CCC[C@@H]21 1705930173 HMMPXPRPCCQZLP-JYJNAYRXSA-N 445.611 1.258 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)c1ccccc1 1706889495 GAWAAHJRGQPRRL-DZGCQCFKSA-N 440.476 1.409 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(N)=O)nc1 1711072604 GECBTYSXYFWHBM-UHFFFAOYSA-N 427.472 1.729 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1711074233 YWPOPZZXHQYIJC-FQEVSTJZSA-N 440.573 1.950 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1 1722275525 CFNSYEJCULMYEY-OAHLLOKOSA-N 427.534 1.435 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nccc(C(F)(F)F)n2)CC1 1722437849 JTCCWPBNAMLDJW-UHFFFAOYSA-N 445.453 1.485 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1722476270 ZPGPZETXILRKBH-OXJNMPFZSA-N 439.582 1.418 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N2CCOCC2)CC1 1722562444 ARBUQKYZOLXPHO-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1722681814 SXRMWXSHLUHQSO-MRXNPFEDSA-N 439.557 1.996 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722692107 XCEKSXSMVRBGSZ-ZDUSSCGKSA-N 430.475 1.989 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCC1 1722693690 XPEARUWMIDWOCP-UHFFFAOYSA-N 432.550 1.486 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722701575 VTRQAVYTOMXFNJ-GOSISDBHSA-N 435.532 1.929 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1729201947 BHSUFXNZKLWNJN-AWEZNQCLSA-N 439.563 1.522 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1729428758 OVNBHODRWJRTBM-KRWDZBQOSA-N 433.476 1.175 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740598467 RBTFBPPMDRGVOE-NRFANRHFSA-N 436.560 1.965 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740620923 IAJYWSFPKDXLHJ-WMZOPIPTSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740625468 FTKKNAGKXJOJEJ-RTBURBONSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740627865 SXUWOPRQWLRUOD-ROUUACIJSA-N 432.550 1.123 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1740661215 VDXHUCSGHLRETB-UHFFFAOYSA-N 444.580 1.244 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2cnn(C)n2)CC1 1740697540 IMDKEXBEJSSTHV-UHFFFAOYSA-N 435.492 1.370 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2([S@](C)=O)CC2)CC1 1740700395 RLTFIKVFVLCCHF-HKBQPEDESA-N 443.573 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1740707101 OVHBHKXWXFTULQ-HOYKHHGWSA-N 436.560 1.781 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740716559 UDXYBCPQLIJBOA-UHFFFAOYSA-N 444.605 1.462 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1740957902 DBFHFBFOVUEJMP-GOSISDBHSA-N 440.552 1.261 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCc2ccco2)CCOC1 1741713173 FRIVKMOUDCOLQE-IERDGZPVSA-N 430.509 1.966 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1748700167 YUJWISIFHUPLRX-FCEWJHQRSA-N 425.555 1.076 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1748829853 LECCJPBEGBQKPX-RUZDIDTESA-N 447.539 1.726 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1748892613 SUHWDTHYBSEYBW-HZPDHXFCSA-N 447.586 1.855 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C(C)(C)C)no2)CC1 1748971217 IDJYHZPESXIKGS-UHFFFAOYSA-N 425.537 1.603 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCC)CC1 1749668850 FSPBVLLLVCGQOK-IAGOWNOFSA-N 439.582 1.268 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1749830378 JYYRQAVNHBVCTE-SFHVURJKSA-N 447.561 1.990 30 10 IDEE CS(=O)(=O)CCOCCn1c(CCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1750207803 WPTPBFRFTAWOEE-FQEVSTJZSA-N 435.525 1.566 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)o1 1750382236 DWTRBVLGQWPVPA-INIZCTEOSA-N 433.534 1.682 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cncn2)CC1 1760131444 SKGYCWZGHVPDIM-MRXNPFEDSA-N 434.570 1.200 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1760261442 LTLWBWASKASBMC-FQEVSTJZSA-N 437.592 1.900 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1760465035 VIVVEHBEQKHTMH-CVEARBPZSA-N 435.554 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)C 1760553636 XDJSRBIILFFOGN-UHFFFAOYSA-N 430.534 1.378 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1761042683 PGNNPBGRVZVRCA-LJQANCHMSA-N 446.577 1.865 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)C1 1761132743 FBZQUUDBMXNGHT-IRXDYDNUSA-N 443.552 1.958 30 10 IDEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)n1 1769605643 IEDDOMPQXNXFDV-UHFFFAOYSA-N 438.492 1.550 30 10 IDEE COCCN(CCC#N)c1nnc(C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1771109361 NLLVVPJZVKHYCA-BZSNNMDCSA-N 434.541 1.977 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772789823 FEHAVNAXEVOIIL-UHFFFAOYSA-N 443.481 1.905 30 10 IDEE CN1C=N[C@@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)C1 1851917924 QKLMOWYYNWUDKC-UYAOXDASSA-N 427.482 1.665 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c(F)c1 1851936015 KCMRAGCSHIGPLL-UHFFFAOYSA-N 432.477 1.475 30 10 IDEE CCc1nc2c(n1CC(=O)Nc1nc(N3CCN(C)CC3)c(C#N)cc1C#N)CCCC2 1852761725 YPUJSKFAUBUSTH-UHFFFAOYSA-N 432.532 1.853 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1854248671 IHLKGSVPGAKZIR-DLBZAZTESA-N 436.509 1.342 30 10 IDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)c1 1854642832 YSOYCCMQYDVYRM-HNNXBMFYSA-N 427.482 1.558 30 10 IDEE Cc1cc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)c(C)cc1Cl 1855003157 NBZUYKZAYKUNRJ-HNNXBMFYSA-N 438.937 1.304 30 10 IDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cnn(C(F)F)c4)C(=O)C3)C2)s1 1856292247 VFASQHXHRPLWNY-AWEZNQCLSA-N 434.472 1.770 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1=O 1856802562 JNAMIDSAMDPJIT-GXTWGEPZSA-N 448.419 1.588 30 10 IDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1857217844 SUYUURAMGMKIEN-KRWDZBQOSA-N 436.578 1.191 30 10 IDEE CCn1cc(C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)ccc1=O 1860852689 LTPNCPGOWCLZKM-UHFFFAOYSA-N 433.428 1.454 30 10 IDEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)NCCN1C(=O)CSC1=O 1871285722 VDKROUZFHGOCGO-UHFFFAOYSA-N 426.863 1.840 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1895843824 CJFICAXKVOYJQJ-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060632668 DQCZKMWAVPNPFH-HOTGVXAUSA-N 435.374 1.994 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCO)c1 2164496440 KOAWCNGXIDZNKK-OAQYLSRUSA-N 430.457 1.797 30 10 IDEE C#CC1CC(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)(C(=O)O)C1 2255195731 CTWUIONZRAQWNK-WBWVDOBWSA-N 444.484 1.996 30 10 IDEE C[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255839603 XTPWBUGCHHKQSH-ZDUSSCGKSA-N 437.350 1.347 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)nc2)OC1(C)C 2267169702 ZYCRUNNDLPKTOY-GFCCVEGCSA-N 442.247 1.307 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267267474 KFEYAJPEIJFLST-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2267280895 ROMFNOXGDPLQDC-RBUKOAKNSA-N 439.321 1.880 30 10 IDEE CN1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267554156 WSYOHZWWYMGBJD-HNNXBMFYSA-N 449.357 1.860 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267594419 BYJJTFDGQDNIAD-WMLDXEAASA-N 447.341 1.338 30 10 IDEE Cc1c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2269064148 UGCBXSLLAPFTPP-MRXNPFEDSA-N 443.309 1.428 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2298373906 JUFNKBBRORKWRR-MJBXVCDLSA-N 426.319 1.070 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@H](CC(N)=O)C1 2320264357 WPFNNODEYWSAIG-RBSFLKMASA-N 437.346 1.792 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(OC)c1 2330718142 NAMKDKULTGQJMX-UHFFFAOYSA-N 434.522 1.471 30 10 IDEE COCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)c(O)c(OC)c1 2331566224 YTNZMGOVPSCSIH-UHFFFAOYSA-N 430.284 1.361 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2334313103 GJBLTNNFDLWUQS-RBSFLKMASA-N 444.341 1.904 30 10 IDEE CC(=O)OCC[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccc(Br)cc32)NC1=O 39843811 RKUYSTLFESZZIU-NSHDSACASA-N 425.264 1.646 30 10 IDEE CCC/C(C)=N/Nc1nc(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)n[nH]1 59890258 IYCHXBBHFFLYCL-DEDYPNTBSA-N 435.558 1.775 30 10 IDEE Cc1ccc(-c2noc(CN3CCN(c4ccc(S(N)(=O)=O)cc4C#N)CC3)n2)cc1 301191961 IKWJLHHJSOMPQK-UHFFFAOYSA-N 438.513 1.886 30 10 IDEE C[C@@H]1CCc2nc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)sc2C1 434818993 WNZLLZCRJLEPCL-CHWSQXEVSA-N 425.518 1.605 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1=O 440265481 ALNPDTFUCORIDP-AWEZNQCLSA-N 438.278 1.420 30 10 IDEE O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476801584 DMOGHTYUMZKMLE-JOCHJYFZSA-N 431.492 1.921 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 477043937 AXNMVSXQEYVXJJ-SCCNAQOGSA-N 442.626 1.678 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)OCC)C1=O 481184809 FUCLKVTUHSHZRN-QFIPXVFZSA-N 427.457 1.130 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487517622 SRFKBLHUVNYXBB-FHWLQOOXSA-N 428.489 1.411 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505017991 DEUNIYIHBCUWAI-UHFFFAOYSA-N 449.577 1.874 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508896805 UHSPNXQTIJRPHJ-KRWDZBQOSA-N 446.577 1.274 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cn2)C[C@@H](C)O1 516556408 DOJFRFCVTXBNQF-QZTJIDSGSA-N 435.532 1.994 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 521994664 BXPCGQZMDABGPF-UHFFFAOYSA-N 429.502 1.367 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 522286688 RTGUBYGQEIBZCW-QGZVFWFLSA-N 435.519 1.559 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 574562942 JCUBBPPGUQNJJA-INIZCTEOSA-N 438.303 1.449 30 10 IDEE O=C1ONN(c2ccccc2)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCC(O)CC1 585673698 PWDCOTFMYRFSJT-MKIGIDJNSA-N 434.452 1.618 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@H]1CCCO1 609431481 ZRJPMZKMJQDLIP-QGZVFWFLSA-N 446.532 1.419 30 10 IDEE Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)cn1 610162621 MYHXPCSXRBCCGP-UHFFFAOYSA-N 443.938 1.077 30 10 IDEE N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOC[C@H]2C2CC2)C[C@@H]2CCCO2)cc1 611220343 WFYWEONTECPICL-ICSRJNTNSA-N 433.530 1.365 30 10 IDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 619077093 ABRAVSJHMQRWGR-LJQANCHMSA-N 447.499 1.709 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729670131 JDQJOXATHCZRRY-UHFFFAOYSA-N 449.561 1.697 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC(C)C 730137683 HACPJLUOISELEP-KRWDZBQOSA-N 449.577 1.219 30 10 IDEE CN(CCOC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)S(=O)(=O)N1CCOCC1 732505005 MQHZGBINMKVNJA-UHFFFAOYSA-N 446.485 1.411 30 10 IDEE N#Cc1cc(COC(=O)c2cc(I)ccc2-n2cnnn2)ccn1 746959087 CTNDNUIYGCSBIN-UHFFFAOYSA-N 432.181 1.891 30 10 IDEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768420043 CEIKHRSRDSMYPU-QGZVFWFLSA-N 443.577 1.632 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(OC)c1 778075009 SIRHHAMROOUYKP-JSGCOSHPSA-N 441.506 1.750 30 10 IDEE COC(=O)[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccn(C)n1 787808847 UXGKGDGWGHJMJM-GOSISDBHSA-N 447.517 1.050 30 10 IDEE C=CC[C@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 790299200 MGTRTTKBRDZMFC-FOIQADDNSA-N 443.566 1.142 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1C#N 793364548 WWKAJTPPAMDGFJ-PYCFMQQDSA-N 433.515 1.875 30 10 IDEE C#C[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(F)cc1 794911048 QGDJIWOBYHTBQJ-PMACEKPBSA-N 445.516 1.846 30 10 IDEE CCOC(=O)C1(COC)CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 796566699 FJWDOLQONFGDTJ-INIZCTEOSA-N 426.473 1.803 30 10 IDEE C[C@@]1(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCC(=O)NC1 798777110 DVNNJROLECJTAE-NPMXOYFQSA-N 442.516 1.816 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1=O 805088515 VZTLGISKGONXJG-NSHDSACASA-N 426.438 1.388 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 805843838 UAWREAQWVIZTSP-UHFFFAOYSA-N 447.538 1.048 30 10 IDEE C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCSc2ccccc21 853721544 GLOTXBDSLRZSMG-AWEZNQCLSA-N 445.522 1.907 30 10 IDEE N#CC(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CCN1CCOCC1 916201424 OGJLMHVBMPZPLC-UHFFFAOYSA-N 435.336 1.575 30 10 IDEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 916775311 PMDGRWOIXJLTRI-UHFFFAOYSA-N 435.527 1.847 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)cn1 1084266756 UJQBZJCTNSWUPI-UHFFFAOYSA-N 441.521 1.868 30 10 IDEE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NN=C(C#N)C(=O)N3CCOCC3)cc2)n1 1088727175 QSVNORSDNZFKTI-UHFFFAOYSA-N 443.489 1.045 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 1136672176 DHSVGUSKMAAGEI-XEVXXXDWSA-N 434.246 1.173 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(F)(F)C(F)F)CC2)s1 1146889304 VNMNQDLOKLYZNX-UHFFFAOYSA-N 443.488 1.800 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)c1 1167265632 OTDCBCVJHIJEGU-UHFFFAOYSA-N 430.473 1.285 30 10 IDEE CN1CCN(C2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)CC1 1213443754 AYALVXZGTUQCHE-UHFFFAOYSA-N 427.368 1.721 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c(C#N)cn1CCOC 1216501864 GNHQOORMVBMCEU-CQSZACIVSA-N 440.522 1.471 30 10 IDEE C=CCC1(O)CCN(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CC1 1221807962 ISACTDHSOSFSHT-UHFFFAOYSA-N 438.330 1.024 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1OCC)[C@H]1CCS(=O)(=O)C1 1230191099 DTBBQPYVZSRSSV-QHAWAJNXSA-N 433.574 1.355 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1286306341 SFZGKOQDDIKOBY-DBHNTLKXSA-N 432.569 1.573 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286350216 XKGHIHLOJMYVSK-HOTGVXAUSA-N 435.575 1.936 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@H]1C 1286358158 BUOOZMSCTSUQFQ-MRXNPFEDSA-N 430.940 1.652 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1286362751 FIZOANLXXBCWTJ-QHCPKHFHSA-N 425.533 1.885 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286389881 SCMLJWOPSDITSX-HXUWFJFHSA-N 438.557 1.856 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1286392335 GQGQNECABYUSLH-CQSZACIVSA-N 427.452 1.929 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286392978 JSPDZSPVNGADKG-QYZOEREBSA-N 435.594 1.139 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286393953 MOWLLGFJINUOSO-HKUYNNGSSA-N 445.589 1.454 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1286408305 BTMLWHBJMLMIKA-HUUCEWRRSA-N 433.559 1.465 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1286446077 DAWCZSOFOACUCA-KRWDZBQOSA-N 437.953 1.772 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(OC)CCCC1 1286463071 HEMWAXSNBKHLEV-UHFFFAOYSA-N 436.520 1.966 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1286467398 PFEUNSKGKBKJIM-QGZVFWFLSA-N 448.545 1.332 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCn2cc(Cl)cn2)CC1 1286489688 CFZXLRCHLJSLGM-UHFFFAOYSA-N 440.939 1.800 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(N(C)C)CCCC2)CC1 1286494022 QYVSAOGJBPIJOM-LJQANCHMSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2COc3ccccc3O2)CC1 1286494794 PYJUUPPPCARDFO-SFHVURJKSA-N 439.516 1.620 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1286722741 RRNNPKGBBLLHSP-UHFFFAOYSA-N 437.504 1.156 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC)C1 1286816495 FTVBWUANCWBOSA-CABCVRRESA-N 433.600 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCC2)C1 1286820494 MIQXCJBPFFBPQN-OAHLLOKOSA-N 428.580 1.161 30 10 IDEE CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)Cn1cc(C#N)c(O)nc1=O 1293310546 IAECULBXXYUXDZ-UHFFFAOYSA-N 434.452 1.937 30 10 IDEE CCOCc1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297308955 GZKFKIPHPIFKIA-QBNCKDSPSA-N 429.525 1.016 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1300479325 LSWNJYXDFKIOAF-HNNXBMFYSA-N 427.596 1.186 30 10 IDEE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1300634223 PHEIZNLVPCASNM-NVXWUHKLSA-N 428.514 1.629 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1300692814 NCJCOBKXQHZCBS-IBGZPJMESA-N 427.574 1.976 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1300722134 HZXFVAZPXAIMKU-UHFFFAOYSA-N 442.608 1.747 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301508398 JXLMEFAGWKPGPG-UHFFFAOYSA-N 443.596 1.057 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301588050 BSPLRBKRPSKEJD-FQEVSTJZSA-N 425.599 1.378 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCN2CCCCCC2=O)cc1 1302988936 FETNQJYEJRLMLV-LJQANCHMSA-N 435.532 1.921 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccccn3)n1CCOCCCO)C2 1302988942 FISXOKYBCKCRAS-UHFFFAOYSA-N 435.488 1.198 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(C(F)(F)F)ccn2)CCO1 1303001681 GTXIWSOPTABDPH-MRXNPFEDSA-N 449.437 1.899 30 10 IDEE CN1CCn2c(CCNC(=O)c3cccc(OCc4ccccc4C#N)c3)nnc2C1=O 1303244297 COAWQYWAKGPRPT-UHFFFAOYSA-N 430.468 1.787 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1304722826 DAKUTCSIEPVJLS-UHFFFAOYSA-N 434.548 1.984 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O 1309080321 ZSXAGBVFSRNFIX-MRXNPFEDSA-N 438.571 1.532 30 10 IDEE Cc1cnc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c1 1312925995 GUSSREDLYCQERQ-UHFFFAOYSA-N 427.530 1.829 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1314531379 ZSVQKQJDZIAYSH-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(=O)(=O)CC 1358940885 QEYRQTLLHTUDJA-UHFFFAOYSA-N 429.344 1.435 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358963583 KNNKSGSPLUXMOH-VAMGGRTRSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCOC 1358976060 OYDUNMQYPVIOGU-NRFANRHFSA-N 444.561 1.099 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1359023277 GBKHWMYVZVESKO-SFHVURJKSA-N 432.569 1.205 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(O)c2)CC1 1359046528 VMVMAWMLYQUBRL-UHFFFAOYSA-N 430.512 1.984 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1359048573 VRTRRIYFLMAHFB-UHFFFAOYSA-N 441.561 1.644 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1359305092 SQXMKCHONNQLHC-GOSISDBHSA-N 436.520 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(NC(C)=O)CC1 1359330102 GYOLEINCLPAKBS-UHFFFAOYSA-N 447.561 1.659 30 10 IDEE Cc1ccc(I)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439796715 OIWAGAKKQODJRS-XHDPSFHLSA-N 430.267 1.610 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)c1cccc(C#CCO)c1)c1ccc(S(C)(=O)=O)cc1 1448537409 LFQKZTKLNCJHTF-QFIPXVFZSA-N 429.494 1.642 30 10 IDEE COc1c(F)cc(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1S(N)(=O)=O 1454675711 DTOHSVFZKBHZOY-HXUWFJFHSA-N 432.477 1.503 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)c1 1456090953 BVNNNVOWMQPQRG-UHFFFAOYSA-N 441.513 1.695 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1458096952 ZZADHMQYTSSSOS-UHFFFAOYSA-N 429.521 1.569 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2Cl)CC1 1462532526 IKRRYCYJXNKXPW-UHFFFAOYSA-N 438.985 1.733 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 1462874146 MSMUKLHRMWJXRJ-ZDUSSCGKSA-N 430.935 1.426 30 10 IDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1=O 1466737719 RTYUUTIBBMGCIZ-HOCLYGCPSA-N 446.504 1.679 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1468015992 GPZUDVCFOYGFSQ-HUUCEWRRSA-N 443.447 1.081 30 10 IDEE C#CCSCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1469000918 AJADTFUGMWIWSA-DLBZAZTESA-N 436.578 1.747 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)[C@H]2C1 1471265165 OXXHBRPHUBZYSU-QZTJIDSGSA-N 426.521 1.898 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1471810469 YTMHEJMCAOZULY-SJORKVTESA-N 425.526 1.762 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(F)(C(F)(F)F)C(F)(F)F 1472602973 NHXOAVMAYJWWGG-ZETCQYMHSA-N 442.357 1.653 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CCO1 1503783953 SSNNCYBDXOQRNQ-SFHVURJKSA-N 442.520 1.495 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1F 1505276991 TYLFKOMXRLZHJG-HFTRVMKXSA-N 433.509 1.958 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CN2CCCC2=O)nnc1N1CCCCCCC1 1505353024 FPGCNWAOWGVTBV-MRCUWXFGSA-N 441.536 1.697 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507630861 IYTQBKCWBMDZQO-ZDUSSCGKSA-N 442.467 1.950 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1507669066 GYJCVBLSGCUOMD-SFHVURJKSA-N 449.540 1.272 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@]2(C)COCCO2)n1 1507716120 GZIQQOKXQAWFCJ-AVRDEDQJSA-N 444.536 1.070 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507844410 JNXRJPUFSVPQJJ-UXHICEINSA-N 446.596 1.508 30 10 IDEE C=C(C)COCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507847629 BCBSRNQDONPVAI-QFIPXVFZSA-N 435.569 1.970 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)CC1 1507897370 PWFISBYZFHZNQW-CQSZACIVSA-N 436.586 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC(C)(C)C1 1508148553 UPEIVBPCMAPNHR-HOTGVXAUSA-N 428.555 1.218 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1508152312 KNEWACZOMKQPDC-ZDUSSCGKSA-N 431.584 1.197 30 10 IDEE CC(C)OCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1509875950 KSFLCBGPQJWGNB-MSOLQXFVSA-N 440.552 1.974 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2Cc2ccc(C#N)o2)n1 1511135092 XBZMBCBUEWGLQJ-UHFFFAOYSA-N 448.531 1.808 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)C[C@H]1C 1519222288 FPAQTAOCBPRLTH-QZTJIDSGSA-N 428.537 1.921 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cn2ccccc2n1 1519327589 PYIMTLOZDBXUHT-AEFFLSMTSA-N 425.493 1.621 30 10 IDEE COCCOC1(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1519340168 IDDCABZUYZJSFS-QGZVFWFLSA-N 431.493 1.788 30 10 IDEE C[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1521786621 WNOBJDLFVCEMFO-AWEZNQCLSA-N 439.476 1.545 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1535553043 PEWBDBONKICYTE-OAHLLOKOSA-N 425.938 1.140 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1539126507 WRHPHCBDUTWZDR-SQNIBIBYSA-N 437.566 1.030 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539231112 OOVRZXDYVSDVFX-HZPDHXFCSA-N 433.534 1.663 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)CC1 1539477186 JVGOTCHNSRKZHV-GOEBONIOSA-N 434.491 1.630 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539626889 GZAWFIYKLAGZQA-SCTDSRPQSA-N 427.509 1.058 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H](C)C(=O)NC 1539645420 NSCVWUFWVCRQAA-GFEQUFNTSA-N 435.569 1.802 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539981668 IEIJMDIVQUYOKV-MRXNPFEDSA-N 438.598 1.836 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540021026 ZMMAOVAKWXMRLP-GCJKJVERSA-N 433.553 1.881 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1540200887 KARRCUIQPWIFCB-UHFFFAOYSA-N 435.475 1.645 30 10 IDEE CN1C(=O)CO[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H]1c1cccnc1 1540550165 JAAOCSONIWBOTH-NNWRFLSQSA-N 437.475 1.528 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCN(C)C2)C1 1540892570 ODTPDMDNPMUBDW-AOMKIAJQSA-N 433.503 1.995 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540902085 ABKQIYLPHSILNI-SJORKVTESA-N 437.566 1.322 30 10 IDEE CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 1545776275 AWWAXYUKDSECPB-SWLSCSKDSA-N 430.324 1.534 30 10 IDEE CC[C@H]1CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1546677903 KYRFIKGNPQXEAE-DNTCVELPSA-N 427.509 1.306 30 10 IDEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)C1CC1 1547581425 IGSDBVZBPRHEGX-UYAOXDASSA-N 438.532 1.661 30 10 IDEE COCCCN(C)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555483932 MTWUTJWMNSAWBV-UHFFFAOYSA-N 448.531 1.843 30 10 IDEE COCCCOc1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1555505448 NOGVSCHXJXICTP-LJQANCHMSA-N 435.488 1.927 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1555812606 DZPLSKQRENABHE-UHFFFAOYSA-N 444.561 1.640 30 10 IDEE CCOC(=O)c1ccc(N2CC(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)nc1 1556164990 WOZZYJMLOPYSQY-UHFFFAOYSA-N 446.460 1.313 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(n3cc(N(C)C)cn3)CC2)s1 1556785658 AEMDKDSBBXDCPF-UHFFFAOYSA-N 437.591 1.881 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)nn1 1564958282 LMEHZTCITGUULT-UHFFFAOYSA-N 433.310 1.781 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)c1 1565621358 YWZTYHFLCKLZCU-UHFFFAOYSA-N 434.539 1.809 30 10 IDEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OCC 1569184552 QXFGFDWYPVATOT-CQSZACIVSA-N 433.324 1.985 30 10 IDEE C#CCN(CC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)C(=O)OC(C)(C)C 1583737692 YUKVRKBUUSYMPF-UHFFFAOYSA-N 444.532 1.892 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1587988697 AXZFKRSQSFAMDD-AEFFLSMTSA-N 449.602 1.861 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)[C@H](C)CC)CC1 1588930508 YAEYEYXKJMSPTC-QUCCMNQESA-N 430.597 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595784121 CZDAEUGDATXZLW-MRXNPFEDSA-N 446.577 1.379 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1nnn(C)n1 1602821443 AGCFZNGNFARQSO-UHFFFAOYSA-N 426.916 1.825 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1611307959 JMZQWWFJGQUAJY-UWVGGRQHSA-N 426.287 1.906 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1C 1617290985 DLKIBHTVAJZFQE-UHFFFAOYSA-N 427.534 1.778 30 10 IDEE N#Cc1cn(CC(=O)NCc2ccc(I)c(Cl)c2)c(=O)nc1O 1617853506 WXYAOOYUFZXPGI-UHFFFAOYSA-N 444.616 1.395 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 1633140592 FXZYXGVGIGMIQO-UHFFFAOYSA-N 425.938 1.513 30 10 IDEE CC(C)[C@@H](CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1633594492 QEYWEKKXRHNNDO-QGZVFWFLSA-N 438.550 1.892 30 10 IDEE C#C[C@H](CO)NC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OCC)cc1 1636623247 OIPWIGIIJQBOHS-CQSZACIVSA-N 448.497 1.627 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1642991860 HOUOTOGLBXFNDL-UHFFFAOYSA-N 445.483 1.519 30 10 IDEE CCN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)[C@H](C)C#N 1643951790 DUOAMMBKJPEJHZ-ZLYHGVDXSA-N 446.554 1.967 30 10 IDEE COC(=O)c1nc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1Cl 1645139671 MBJCIURZSWDCFP-LLVKDONJSA-N 436.877 1.376 30 10 IDEE C#CCNC(=O)CN1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1 1645867429 KUMIKJYGRJHNGP-CTNGQTDRSA-N 428.533 1.211 30 10 IDEE COc1cc(CCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1O 1647745499 DEYRBISIULXIEB-UHFFFAOYSA-N 433.486 1.197 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)Cn3nc(Br)c(Br)n3)C2)c1 1647935635 MYGXAAAKXQTRBD-UHFFFAOYSA-N 440.099 1.998 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1648998630 IFTKPCMZKXWGMW-JOCHJYFZSA-N 441.553 1.799 30 10 IDEE CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCC(C#N)(C(=O)OC)CC1 1653618925 FHOUHNXHOCRPRQ-UHFFFAOYSA-N 442.559 1.423 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)ccc1C(F)(F)F 1662479384 BRKZTFQNVRRUAW-UHFFFAOYSA-N 437.465 1.766 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C(=O)OCC 1663611029 HHVDYPVFHKLQJB-AWEZNQCLSA-N 442.918 1.940 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 1665080350 FHBCIQSUOSEROP-ZWNOBZJWSA-N 434.392 1.692 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CC1 1669234813 FIFZAZCLOPXXQP-UHFFFAOYSA-N 436.534 1.170 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)nn2)C1 1675450307 MJBVHQRTYVJQSN-QGZVFWFLSA-N 437.504 1.908 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 1678440567 DBZONEVMXSDXFU-UHFFFAOYSA-N 433.328 1.403 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1 1679112544 BVFQVFAXKCFQNA-MRXNPFEDSA-N 439.969 1.104 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)COC)CC1 1689882841 NTAPZPOCHKTVFG-UHFFFAOYSA-N 439.516 1.815 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1690131945 BEXVVHQWFLDNFR-OAQYLSRUSA-N 433.560 1.826 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1690265440 OVMQHJGEYOKQRK-IAGOWNOFSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1690659039 IFBGWXPLOLZYAC-SFHVURJKSA-N 442.520 1.305 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1690659100 JTZIAOMWDPYBTN-OAHLLOKOSA-N 449.556 1.070 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)N(C)C)C1 1690706888 LVAUXVSXGLZGQF-IBGZPJMESA-N 433.578 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1OC 1690722779 VEBMKLLAPKTUSM-UHFFFAOYSA-N 430.534 1.924 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1692661975 GHPPPGQDKPSXGW-WMZOPIPTSA-N 439.582 1.752 30 10 IDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC)[C@H]1CCS(=O)(=O)C1 1705567746 YVSFIKIAHXIPFR-SFHVURJKSA-N 443.577 1.489 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1705589147 NSJIZIUABISSST-IAGOWNOFSA-N 447.536 1.958 30 10 IDEE C=C(C)COCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1705740700 UIZPGDMOKPPSSG-DENIHFKCSA-N 430.553 1.699 30 10 IDEE CC(C)C(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706231560 AMXADHZTDSVMGE-UHFFFAOYSA-N 436.564 1.986 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCn2cc(C)nc21 1712566116 KJFBXILGRTVZFY-KURKYZTESA-N 429.525 1.813 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O 1712833904 QDBQJHYIZPSCTA-AYBZRNKSSA-N 444.561 1.305 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1712875767 HIQBXQMFLJTRIN-KRWDZBQOSA-N 439.538 1.312 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1712877507 MTBLMWVABMYPBS-YWZLYKJASA-N 445.430 1.426 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2(O)CC2)c1 1712877662 RLBWDTBSCTXPTQ-HNNXBMFYSA-N 434.422 1.846 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722369196 ZLTRHBJWDAEVCH-IEBWSBKVSA-N 435.594 1.283 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1722402747 PUWRMYPAFOSSJP-GFCCVEGCSA-N 428.465 1.393 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCO[C@H]2CCOC2)CC1 1722433434 VDFOOYRFFDOGDE-REWPJTCUSA-N 447.580 1.270 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2CCN(CCN(C)C)CC2)CC1 1722448556 ZECCMHCJMDUZSG-UHFFFAOYSA-N 429.613 1.080 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1722582302 HFDSUTUGMXGQKZ-CABCVRRESA-N 426.587 1.453 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1722677879 GXJKUFIHRLHUDZ-UHFFFAOYSA-N 449.533 1.348 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2F)CC1 1722727668 KEPYNDULKLJWSM-KRWDZBQOSA-N 449.552 1.849 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC(=O)N1C 1726672293 QNKZSWQIQFYDTL-INIZCTEOSA-N 435.532 1.790 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2Cl)CCO1 1731188545 HQLJSHYGDDCCKK-STQMWFEESA-N 439.900 1.750 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1740548907 AVYIJXISFYSULQ-OAHLLOKOSA-N 446.508 1.574 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1740550246 IGJJCDPQIAZBTJ-LPHOPBHVSA-N 443.573 1.583 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1740642297 NQJQXXVVRBABKC-UHFFFAOYSA-N 434.525 1.315 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740663986 XGUAPLVLLYZZIS-QFIPXVFZSA-N 449.552 1.683 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740702392 NLTJSSHNHIYIMI-IBGZPJMESA-N 443.640 1.567 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2C)CC1 1740705226 DGALSCDDZQINPQ-HXUWFJFHSA-N 434.544 1.746 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCCS(C)(=O)=O 1740763607 NOOTVJPAMYJQGC-LPHOPBHVSA-N 439.582 1.253 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740791703 APNUVZDTRCEION-IAGOWNOFSA-N 432.569 1.953 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCC[C@@H](O)C1 1741662216 AYNWTKWMQHIBCV-RHSMWYFYSA-N 439.520 1.502 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cnn(-c2ccccc2)c1 1741678301 DBNNODAYWIUDOW-LJQANCHMSA-N 434.504 1.573 30 10 IDEE CN(C)C(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCCC1 1747523217 ACPUSOAIGMLPRF-KRWDZBQOSA-N 448.593 1.569 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCn1cnnn1 1748946312 FDJWBQUXJRSZPK-UHFFFAOYSA-N 437.483 1.256 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1748973027 VJJJTFKUQXKWQC-UHFFFAOYSA-N 445.589 1.813 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCC[C@@H]2CO)CC1 1748990278 GNEMOHUSWJWMPO-NHCUHLMSSA-N 430.597 1.512 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)C(C)C)CC1 1749329644 QSNUJDGFXZZDPD-OAHLLOKOSA-N 426.587 1.453 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1749489544 YFQDLDKJKNUVCI-MRXNPFEDSA-N 432.550 1.944 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749677061 MFXDGMSPRJTKPL-HSZRJFAPSA-N 438.532 1.787 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CCN(C)CC2)C1 1749708137 HYAOEXXYZGVGJR-IRXDYDNUSA-N 434.610 1.838 30 10 IDEE C[S@@](=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1750222878 IFNLVNDQXZCAFR-WTPASJBYSA-N 442.545 1.170 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1760116389 GYGVNYMMMBVPIK-CJNGLKHVSA-N 438.579 1.077 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1760116903 KYTRLOSPQHBTTH-QAPCUYQASA-N 439.545 1.576 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1760170599 IWFYGHKCMHCECG-QGZVFWFLSA-N 435.532 1.230 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760188648 PUAWKOWUVXLBMS-NYUBLWNDSA-N 438.594 1.596 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1760194734 PCYNSDVDKIHQPX-HNNXBMFYSA-N 442.520 1.824 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1760207353 GDCWVCBSWMPNRH-UHFFFAOYSA-N 432.528 1.912 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](OCC)C2CCCC2)CC1 1760260478 ULJBPXPPFWUDBI-PMACEKPBSA-N 428.581 1.970 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760279788 FPAXFXBJEMRWAH-ROUUACIJSA-N 443.577 1.314 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760296048 KFTRLFDWAMDOMA-YADHBBJMSA-N 444.557 1.419 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760372582 ONMJZSWDKHQHJE-DNVCBOLYSA-N 444.971 1.867 30 10 IDEE C=CCCOCCn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760453529 YYOVPYWAWNBRJW-CALCHBBNSA-N 448.568 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760553022 JKHCHEMMJLSXLN-CYBMUJFWSA-N 438.941 1.261 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](c1ccsc1)N(C)C 1761463121 FMYIXLYLOBVTBX-OFQRWUPVSA-N 439.611 1.991 30 10 IDEE CCO[C@@]1(c2nnc(N(CC)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1765848440 NNHVVNNCLFPGBT-QRWLVFNGSA-N 449.533 1.457 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1766927266 CJPKHOYFDWDQLZ-PGRDOPGGSA-N 441.511 1.660 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)C1=O 1767504829 DXIUAOKPFIWBLK-OAQYLSRUSA-N 442.545 1.308 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1767822452 CNQCPZBHBSMUSZ-GOSISDBHSA-N 425.493 1.084 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768005382 HHTAVUONOZVQBG-GFGLJSBJSA-N 444.536 1.561 30 10 IDEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768712289 DFLRYPRWEYUTBQ-FQEVSTJZSA-N 427.486 1.596 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC3(CC2)COC(=O)N3)n1Cc1ccc(C#N)o1 1771192183 DTIIKRWVGRNPQW-AWEZNQCLSA-N 430.465 1.594 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1771251655 VACUNLUFGAJPSD-DENIHFKCSA-N 427.505 1.864 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCCCO)CC1 1771534309 WAPYCJHFBYZYJX-LJQANCHMSA-N 441.536 1.164 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](Cc1ccccc1)OC 1772564404 WKAYJUIFGSEQFZ-RBUKOAKNSA-N 449.577 1.491 30 10 IDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)CC1 1848552160 UDOZSLUQUQFTHE-DLBZAZTESA-N 428.489 1.860 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1 1851616575 LDFYYSJIGUKRDV-UHFFFAOYSA-N 443.529 1.183 30 10 IDEE CN(C)[C@H](C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N)c1cnn(C)c1 1852758576 ISEZWIYDISXEID-HNNXBMFYSA-N 437.957 1.370 30 10 IDEE N#CCS(=O)(=O)N1C[C@H](OC(=O)CN(Cc2ccccc2)Cc2ccccc2)CO1 1853609644 XYCVAQKHKLEWGF-FQEVSTJZSA-N 429.498 1.701 30 10 IDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)c3ncc(Cl)cn3)C2=O)C1 1854957642 LLXODXPQLJZRHN-MRXNPFEDSA-N 426.864 1.681 30 10 IDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1857235355 IXBFSJDLVJBGMT-ZWKOTPCHSA-N 430.574 1.937 30 10 IDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)cc1 1870143421 LHLRUGXUFKIOKY-UHFFFAOYSA-N 426.414 1.491 30 10 IDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O 1874273886 LZEITJRUGNPASJ-IAAMAZNWSA-N 446.533 1.566 30 10 IDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891737356 SZAQIOHFZAZCRP-PXNSSMCTSA-N 448.545 1.694 30 10 IDEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1902065727 DOGOQXZDNQPSOO-LSDHHAIUSA-N 426.514 1.888 30 10 IDEE C=CCn1ncc(N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106019370 GXOVXMZOEQJHBL-LLVKDONJSA-N 429.315 1.974 30 10 IDEE C#CCCN1CCC[C@@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2204041918 SQGZZPDHQXSVGQ-IIBYNOLFSA-N 435.521 1.418 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243386873 JEMKIYUIWMZUAY-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2243390090 OMTKIHICUFDJDK-UHFFFAOYSA-N 425.316 1.723 30 10 IDEE CC(C)(C)OC(=O)NCC(F)(F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243701299 BLTIXZPBNWXAKF-UHFFFAOYSA-N 434.274 1.358 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247908687 YGQCEWPLHMQGFK-IBGZPJMESA-N 441.359 1.448 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248414893 QXQHPEWVBSNKCS-CYBMUJFWSA-N 441.359 1.598 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843630 JOUHZZDQSDJSJA-QWRGUYRKSA-N 447.288 1.971 30 10 IDEE CN1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H](CNC(=O)C(F)(F)F)C1 2255870160 FFTXFGPZPZSDBM-JXQTWKCFSA-N 433.280 1.680 30 10 IDEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2256061746 KPVQKZQLPISCQX-ZIAGYGMSSA-N 432.330 1.761 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN(Cc2ccccc2)C3)n1 2267191505 DKVKPUPXPKAMDO-ROUUACIJSA-N 437.353 1.461 30 10 IDEE C[C@H](C#CC(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1)NC(=O)OC(C)(C)C 2302415849 ULMQQHGMHINMGS-QBPKDAKJSA-N 437.537 1.589 30 10 IDEE Cc1c(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2334270117 DVXHKOHLXCDWLV-OFQRWUPVSA-N 446.357 1.765 30 10 IDEE CC(C)COc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 14035133 ZIILOXCBRWVZKI-UHFFFAOYSA-N 449.558 1.810 30 10 IDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20827552 RQDRWRBMSIBEEG-DNTJNYDQSA-N 429.510 1.955 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccccn2)n1N)c1ccc2c(c1)OCO2 21318146 UYHQIEMVUJTKLS-SSDVNMTOSA-N 426.462 1.683 30 10 IDEE CCOC(=O)C(C#N)=NNc1c(S(=O)(=O)Cc2ccco2)csc1C(=O)OC 254506978 PJNTXSMRHSCSPA-UHFFFAOYSA-N 425.444 1.956 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)n[nH]1 440764325 UNFJUEMRBJWNBE-AWEZNQCLSA-N 427.534 1.790 30 10 IDEE CCc1cnc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)s1 461403744 CDTNTEBGDAYAQQ-UHFFFAOYSA-N 433.559 1.860 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)cn1 462088582 OAFLVERKKBXTNX-UHFFFAOYSA-N 446.519 1.653 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 465118218 DKELBVFGACVONC-KBPBESRZSA-N 426.427 1.717 30 10 IDEE C[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO[C@H]1C1CC1 467274371 WPNAGRIJFHDEGY-FPOVZHCZSA-N 432.546 1.779 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Nc4ccn(CCC#N)n4)CC3)C2=O)n(C)n1 506402171 BFXZECBCAPDYBK-QGZVFWFLSA-N 439.524 1.184 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN2CCOC[C@@H]2C1 508841150 PCYDTCSJVWIVJR-QFIPXVFZSA-N 437.592 1.350 30 10 IDEE C=CCn1c(CCC2CCCCC2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508887834 KVPYJIRFPXDDDY-UHFFFAOYSA-N 430.597 1.958 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 508951905 OHSCCDKJOXWPMF-UHFFFAOYSA-N 430.459 1.941 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1 510137635 XQZDZIDCZBMJMJ-LJQANCHMSA-N 426.498 1.804 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cs1 516374016 CBCKJGDOKAQREM-OAHLLOKOSA-N 444.582 1.233 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 523256909 ZRGHOFZAVFQHMX-QGZVFWFLSA-N 425.554 1.360 30 10 IDEE CCOc1c(OC)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)cc1OC 523735622 GDUKREQRYTZVSD-UHFFFAOYSA-N 428.510 1.735 30 10 IDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 533297915 MUKCIYGVGFKBGD-UHFFFAOYSA-N 437.562 1.579 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 568074746 PALHQIPCUJQBJB-ULQDDVLXSA-N 425.555 1.050 30 10 IDEE CN(C)CCn1cc(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 611893076 QFUQVUJRPZQDKE-UHFFFAOYSA-N 426.868 1.733 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(Cl)cc1 727416026 CVQMBIPULDJCLQ-UHFFFAOYSA-N 441.896 1.507 30 10 IDEE COC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1cccc(F)c1 729976896 PFKRYMRNNGQMHA-AWEZNQCLSA-N 433.461 1.012 30 10 IDEE Cc1nc(=NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)n(-c2ccc(C#N)cc2)[nH]1 741945573 FRTDYHHBGSUXOX-UHFFFAOYSA-N 442.476 1.947 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCN(c2ccccc2C#N)CC1 755215129 QHLXWZVOTXBURY-LJQANCHMSA-N 441.532 1.723 30 10 IDEE C#CCN(C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 756096288 FOGMXRBDZGZMQE-HZPDHXFCSA-N 438.347 1.931 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(C[C@@H]3CCCO3)c2=O)cn1 772280035 UFMQBMHCFXLKGF-KRWDZBQOSA-N 426.542 1.894 30 10 IDEE C#CCN(C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 774235209 LNUIYENUAJARKV-CQSZACIVSA-N 427.910 1.509 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3c3noc(COC)n3)ccc2c1=O 780749234 DIJPOUPYAXZJNQ-OAHLLOKOSA-N 443.485 1.614 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCCO2)c1=O 782793423 QPAZDUXNTIPBKX-GFCCVEGCSA-N 434.319 1.002 30 10 IDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)NC1(C#N)CCC1 784232327 CJCRSFFJCWSDIO-GFCCVEGCSA-N 443.319 1.965 30 10 IDEE Cc1ccc(C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)NCC#N 787746254 GZXYWXNEVZJKIR-DJJJIMSYSA-N 431.470 1.378 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccccc2OCC2CC2)c1=O 794646153 VGZQMQPIJDRDPR-IBGZPJMESA-N 448.544 1.831 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cc(C#N)oc1C 797887141 AQJBYDKTWQLBKY-LBPRGKRZSA-N 435.458 1.903 30 10 IDEE CCO[C@@H]1C[C@](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)(C(=O)O)C1(C)C 799250552 KUSFEYZXHANYAK-QRWLVFNGSA-N 437.518 1.280 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cnnn2C)csc1=Nc1ccccc1C#N 803181124 BQMHHTSLMKGLAT-UHFFFAOYSA-N 431.547 1.779 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 809920761 CCDLYSKXGLKYLJ-SJORKVTESA-N 434.541 1.293 30 10 IDEE C#C[C@H](NC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(Cl)cc1 810469767 AULSVBUMSGXSAM-KRWDZBQOSA-N 437.891 1.942 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 812185845 DETHJXFDZHJAIZ-OAHLLOKOSA-N 443.570 1.643 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c(=O)n1C[C@H]1CCCO1 837882624 WWYZYWCPSSVOIK-UXHICEINSA-N 437.521 1.673 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCN(C(C)C)C[C@H]3c3cnn(C)c3)CC2)c1C#N 849580582 BPADNPHLFJADLK-FPOVZHCZSA-N 438.580 1.496 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 1136215055 XFDORRKCPMKRKR-CVEARBPZSA-N 430.571 1.751 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CONC(=O)OC(C)(C)C)c1 1136282141 ZQGXVNBQZRWBEZ-RCCKNPSSSA-N 426.495 1.894 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)s1 1136397199 XSVBTUWBESCEDY-UHFFFAOYSA-N 435.571 1.908 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CNC(=O)NCc2ccco2)n1 1143258955 CXNNGPGLJKPBMH-UHFFFAOYSA-N 433.519 1.831 30 10 IDEE C#C[C@](C)(CC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1158491704 GNIJBRIOFLNELW-JOCHJYFZSA-N 446.573 1.928 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)s1 1159734098 MDWOEGOFYMQWBP-UHFFFAOYSA-N 441.575 1.977 30 10 IDEE N#CCc1ccccc1S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1208391972 FFOHFFUPYGVANC-GOSISDBHSA-N 449.554 1.688 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286393098 KBYFYDIQDMARIM-OALUTQOASA-N 444.557 1.796 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 1286396092 VFFVTRSCKMWJBN-SFHVURJKSA-N 439.545 1.609 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCn1cc(Br)cn1 1286438816 IMDUMGRDNLROLV-UHFFFAOYSA-N 425.294 1.857 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2OC)CC1 1286470290 WQZFAVMZFVTNMI-UHFFFAOYSA-N 445.527 1.932 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)N[C@H](C)CC)CC1 1286481627 HTBRWSYHBWCTJO-LJQANCHMSA-N 448.575 1.577 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286504182 NODYRFWUPOSFBM-UHFFFAOYSA-N 443.621 1.640 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286608170 ZCYUXEQKEADYCA-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1286818781 NTSZERINKBPLKD-HNNXBMFYSA-N 442.545 1.729 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286824671 ZRTJOCWQBLUSGB-HRCADAONSA-N 429.612 1.955 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCNC(=O)c1cccc(O)c1 1286961812 XZMFFABZGNQOIU-HNNXBMFYSA-N 427.509 1.538 30 10 IDEE CC1(C)CN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CCO1 1289042467 FFSSOGVELUQJKD-UHFFFAOYSA-N 437.548 1.629 30 10 IDEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCN(C(=O)CC#N)CC2)c1O 1294721820 HNJQZSXHALLJQY-UHFFFAOYSA-N 446.463 1.695 30 10 IDEE CCCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1294759813 ICFFVTIZTBOZCT-IBGZPJMESA-N 437.548 1.929 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1299049956 CRIIPIGUMIUHAH-IERDGZPVSA-N 425.468 1.273 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@@H]1CCOC1 1300286224 GJORSOAQALUPJX-MSOLQXFVSA-N 436.520 1.822 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1300526475 HLEAYTWLEHDNBA-UHFFFAOYSA-N 434.544 1.683 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1300673786 YYUXVOIDIBBSOA-UHFFFAOYSA-N 426.521 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN2CCCC2)CC1 1300725888 LFFDNOAYXBBVFR-UYAOXDASSA-N 428.581 1.480 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300830285 DTSABQAYRFGUFB-KBPBESRZSA-N 443.346 1.467 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301505932 CNSCCCMJKXHTAS-PMACEKPBSA-N 425.533 1.864 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CCO1 1303003148 CXANYNQUCMNXKC-OALUTQOASA-N 429.546 1.932 30 10 IDEE N#Cc1cn(CCC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)c(=O)nc1O 1303805346 GDTJSRODIMDNJZ-ZDUSSCGKSA-N 433.266 1.517 30 10 IDEE CSCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1316462108 WWSFGWKKEKYTQM-HUUCEWRRSA-N 430.600 1.350 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC=CO1 1358971858 LEAAEVBMRWBDFR-IBGZPJMESA-N 439.541 1.961 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)CC)CC1 1359032503 QQLWMKRDUZRHFG-UHFFFAOYSA-N 439.944 1.928 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359336235 IWNMJQCVSXHMIV-SFHVURJKSA-N 434.610 1.592 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOCC(F)F 1360240765 PEBIDBWXYWPDCA-OAHLLOKOSA-N 425.484 1.265 30 10 IDEE CCOC(=O)[C@@](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)(C1CC1)C(F)(F)F 1437664837 ISYNAHPVJIYFCB-KRWDZBQOSA-N 447.435 1.883 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 1465712218 FPCYQBXTYOEOAJ-UHFFFAOYSA-N 431.474 1.586 30 10 IDEE N#C[C@@]12CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1471198494 WBMZAYNAKIFRPV-NHYWBVRUSA-N 443.279 1.437 30 10 IDEE C#CCNC(=O)CN1CCN(c2c([N+](=O)[O-])cnc3cc(Br)ccc23)CC1 1472797941 RIOAAYVAAIAHEC-UHFFFAOYSA-N 432.278 1.777 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)CC1 1476415624 CECYDCDKRBJWSY-UHFFFAOYSA-N 446.514 1.568 30 10 IDEE O=C(NCCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1cc[nH]n1 1478291983 JDKXDICQTUBBMW-OCAPTIKFSA-N 449.302 1.952 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1C 1492234870 HKCOLUBQYXALOA-AWEZNQCLSA-N 447.565 1.635 30 10 IDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1503169324 ADFKOKHJBXQIMH-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1507637128 HXKWYVNNRWOINL-FHWLQOOXSA-N 436.578 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCNC(=O)c2cccs2)CC1 1507741619 YBAHDYUCRKNXIE-UHFFFAOYSA-N 444.561 1.272 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1507964413 DZQYGNHLEJUFLU-YESZJQIVSA-N 425.555 1.192 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1508084027 FMVZQXJBBLDZHE-QGZVFWFLSA-N 439.545 1.909 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508090661 OYBJFTXICOGTIH-XLIONFOSSA-N 443.596 1.227 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCNS(C)(=O)=O 1508707881 CJAOPGPTCDIGHK-IAGOWNOFSA-N 438.598 1.876 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508851345 GCBQFRVSBXCNGK-GEQKSPFYSA-N 438.532 1.851 30 10 IDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)c(=O)n1C 1510896964 FLHHVMGQACGYKQ-MRXNPFEDSA-N 449.515 1.484 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCc2ccccc21 1513407893 FTCZTSRMCAQFHU-FDDCHVKYSA-N 438.532 1.759 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1517123982 FSAFDLGAPFVAPW-ZWKOTPCHSA-N 431.518 1.104 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1519325395 FWKZAUJDUWLWMW-LLGFUMIMSA-N 433.509 1.848 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCCC[C@@H]4C3)n2CCOCCCO)cc1 1521111409 XNPORGWTOGSKNO-HXUWFJFHSA-N 440.548 1.802 30 10 IDEE C=CCN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)[C@H]1CCS(=O)(=O)C1 1528605087 DNVAYVHHICHKNF-DZGCQCFKSA-N 428.304 1.732 30 10 IDEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)O1 1538455731 FWHIUWFUIPVYLD-SXLOBPIMSA-N 427.505 1.572 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(CN4CCNC4=O)CC3)CC2=O)cc1Cl 1538844580 STUQQURQVQRXER-MRXNPFEDSA-N 429.908 1.828 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1539089119 IITSQQQGIUBFEI-MRXNPFEDSA-N 440.552 1.973 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1occc1C 1539232947 VKKWZUXDMSNMTH-UHFFFAOYSA-N 445.483 1.720 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1539251277 AIBKHEKAXHFLDA-KRWDZBQOSA-N 442.541 1.860 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1539743929 AKGDYGSJNUCORR-HNNXBMFYSA-N 430.475 1.896 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1539953015 NONCRTGSNKMUJS-INIZCTEOSA-N 448.597 1.670 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1540070968 BRFYQRKMRVWMQU-GOSISDBHSA-N 440.614 1.355 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCS[C@@H](C(C)C)C1 1540907413 WCVKJEQOYWHMDW-MRXNPFEDSA-N 441.623 1.579 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1541559324 JSTCURGESNQABE-UHFFFAOYSA-N 445.593 1.534 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1541711651 CLFQPKOJDAKMEC-UHFFFAOYSA-N 444.565 1.077 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3cccnc3)n2CCOCCS(C)(=O)=O)CC1 1541993491 UJVIORKIUQTCTA-UHFFFAOYSA-N 432.550 1.455 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 1542894969 UMOPFGYUCSCULO-UHFFFAOYSA-N 441.459 1.255 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)CCn2cccn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367745 KWIPMQVNBGREKJ-KRWDZBQOSA-N 434.422 1.627 30 10 IDEE CN(CC(F)(F)F)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554140717 LHTNOVISDUEASP-XQTVBXIXSA-N 428.415 1.697 30 10 IDEE CO[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554590601 ASBDFGSUNGYVEZ-AHCXZYCDSA-N 432.550 1.667 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1OC 1554869201 RJJXTBUWNYJCLQ-VFNWGFHPSA-N 426.477 1.169 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1 1554979171 KRGMITDENBLWSB-WIYYLYMNSA-N 429.477 1.400 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1555667967 BNWVRNTWKDRURC-RDJZCZTQSA-N 432.500 1.984 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c(=O)n1C1CC1 1559452835 BQUHFBQJFMTOOF-UHFFFAOYSA-N 441.532 1.213 30 10 IDEE CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585132201 MIDBTYDDDNNQNW-LRYKZCBQSA-N 429.542 1.383 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccco2)CC1 1588913287 GKQHGUSAHPGUHP-QHCPKHFHSA-N 434.500 1.807 30 10 IDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OCC 1589370792 GCEAACAIXMBBFO-CQSZACIVSA-N 438.424 1.878 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595399445 YXDFEWPTBYHKDV-INIZCTEOSA-N 426.525 1.915 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1c(C)nn(C)c1C 1595789681 ZSIISWCQAOZLCE-UHFFFAOYSA-N 430.538 1.323 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1597414419 HCGLDULIVCNLMB-MRXNPFEDSA-N 440.504 1.750 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)c1 1611457418 WQSLWUMQDKLDMQ-UHFFFAOYSA-N 447.451 1.843 30 10 IDEE COCC1(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1619639728 FUURUDFUWBCDBK-IAGOWNOFSA-N 437.566 1.506 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1620101982 FQCHJSDGQMFXBJ-LEDOBFOHSA-N 446.596 1.979 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1620180748 FGSYXTYWMZBZQL-BGOLNKOXSA-N 444.536 1.883 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C3CCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1620346756 HKQURNGVAPMQEU-NRFANRHFSA-N 425.468 1.251 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)n1 1623890355 ZGFNCVPWJPBWCX-AWEZNQCLSA-N 428.811 1.661 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(O[C@H]4CCOC4)CC3)C2=O)cc1 1626172700 XNGYRSIPMFLLTM-RBUKOAKNSA-N 426.473 1.560 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1628547685 IJOZCTZRBMFMDL-HNNXBMFYSA-N 433.442 1.326 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 1628680673 QZQSQGUPQBOQOF-UHFFFAOYSA-N 437.518 1.117 30 10 IDEE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1631612143 IYBDQQWJRYTHSC-IBGZPJMESA-N 425.489 1.484 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C1=O 1634836959 GPBWPNQKCGTXKW-BMFZPTHFSA-N 448.520 1.504 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)ccc1F 1635263652 BLAKKQMCLLTMEJ-UHFFFAOYSA-N 425.526 1.617 30 10 IDEE C[C@H](CC(=O)N1CCCSC[C@@H]1c1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 1636223420 HRNQHEQVHIVTCI-RHSMWYFYSA-N 447.586 1.944 30 10 IDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1636304566 PXUHXVKOKINKAK-SREVYHEPSA-N 439.512 1.764 30 10 IDEE Cc1nsc(N2CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)c1C#N 1638053950 QBPFQRXLNIKOJD-UHFFFAOYSA-N 441.513 1.355 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)CCS2(=O)=O 1638897912 POOMKGAITKMSCD-BKVYSMKUSA-N 449.529 1.132 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1F 1639168984 RMGUIRFRKOMPQC-FUHWJXTLSA-N 426.510 1.730 30 10 IDEE C#CC[C@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1641840080 XRQVYZIZRZSKQG-HZPDHXFCSA-N 428.938 1.956 30 10 IDEE CC(=O)NCC(=O)N1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1644101525 DLVBSWRUXRZYGW-HNNXBMFYSA-N 445.589 1.886 30 10 IDEE C[C@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 1645296758 OWDCXJQXRFXQQG-WMLDXEAASA-N 439.559 1.041 30 10 IDEE C#CCNC(=O)CN1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1 1645867433 KUMIKJYGRJHNGP-PZJWPPBQSA-N 428.533 1.211 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc(O)c3c(n2)CCOC3)C1 1650749507 XNNZFLIMRRIGGP-UHFFFAOYSA-N 444.289 1.642 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 1657804140 DHLAEMTVZWGWTJ-GFCCVEGCSA-N 425.518 1.147 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CC1 1665603656 PKBOWLQAVQPBKK-UHFFFAOYSA-N 441.340 1.915 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)CC2)cn1 1675398234 QGECPMBMYDBZRF-IRJFHVNHSA-N 425.514 1.790 30 10 IDEE CO[C@@]1(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CCS(=O)(=O)C1 1676220818 YCCHHIYWDDPOGX-OAQYLSRUSA-N 443.529 1.142 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1)C1CCOCC1 1684188738 VYHXYVQTJBWCCA-WOJBJXKFSA-N 431.558 1.981 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1689982413 MVGWIELUCGGKRM-IBGZPJMESA-N 442.541 1.927 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1(c2ccccn2)CCC1)[C@H]1CCS(=O)(=O)C1 1689995785 ABXVUCRNYVKXGG-SFHVURJKSA-N 443.573 1.958 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CC)CC1 1690132691 WPIJGWYVUUSHMS-OAQYLSRUSA-N 433.560 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690724461 POSWNASQGPNAEU-HNNXBMFYSA-N 445.611 1.007 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1690746658 GIHNOUNCBURMJA-KRWDZBQOSA-N 441.623 1.933 30 10 IDEE Cc1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693511115 GMGLBACRGBETCY-HMDOMZECSA-N 438.488 1.397 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1698006628 ZGXFTDOKUICSDM-UHFFFAOYSA-N 434.504 1.882 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN(C(C)C)C1 1698256172 ZQQAFSQHOLYVEZ-FYQPLNBISA-N 432.569 1.851 30 10 IDEE CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1698317375 GPOWLALLZKXMII-IBGZPJMESA-N 444.561 1.619 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCSC1 1705556375 GXVGYIVAIMQMKX-HSZRJFAPSA-N 440.617 1.580 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705570755 QQFBWSLOLDWPAT-GOSISDBHSA-N 429.546 1.196 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(CC)CCS(C)(=O)=O 1705694073 NQVJSQPLKYIQOF-JKSUJKDBSA-N 427.571 1.268 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705740077 AWNJWTTVIVVKHW-DYESRHJHSA-N 435.525 1.552 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705747100 FDFVCQUBOFSFLO-SCLBCKFNSA-N 443.932 1.878 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705818872 YBCQIRIQILDGKO-ROUUACIJSA-N 429.569 1.328 30 10 IDEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705819245 HQLBZZPFHQWGIY-UHFFFAOYSA-N 430.557 1.300 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1705841077 MNUUGPKMCHOMCX-UHFFFAOYSA-N 433.472 1.724 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1705867993 ZAUNBKGAVOMAOK-VQTJNVASSA-N 441.580 1.941 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705903530 XOELKWYFRYBHTD-HOTGVXAUSA-N 445.524 1.906 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705918930 SUJLZRNJASRZFN-QQMHEVNUSA-N 435.488 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705930516 PJLQZBHXIKPSTE-INIZCTEOSA-N 444.565 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1705935521 UTBUEVOZPHYOKZ-SFHVURJKSA-N 449.552 1.130 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705937494 VWRIHRFWIBATSL-IBGZPJMESA-N 437.610 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1C(C)(C)C 1705938808 JUHWHDKOCICWFZ-UHFFFAOYSA-N 433.582 1.601 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722369311 XMOSKNYWDUHOPS-AQNXPRMDSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCOCC1 1722387902 QYADXRDLEUWHKO-LJQANCHMSA-N 435.532 1.357 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC(F)F 1722418213 JECTVBGPCFVDCB-UHFFFAOYSA-N 431.422 1.839 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1722422131 VXCRSBFKOJOPTC-SFHVURJKSA-N 448.545 1.240 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N1CCOCC1 1722511518 ALLOITILLLYYFK-UHFFFAOYSA-N 437.508 1.182 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722525260 YKEOHFZOIIYSQL-INIZCTEOSA-N 425.555 1.007 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1722603668 LAKXHXRDYYKHQR-HOTGVXAUSA-N 429.612 1.909 30 10 IDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1722651383 KEVIHCWUZJTXFF-QZQOTICOSA-N 436.520 1.821 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722725404 LAMWNXMIYPJWNN-ROUUACIJSA-N 447.536 1.932 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1722736572 BBCANBSYPTYZAO-UHFFFAOYSA-N 436.582 1.165 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1723076373 NXEJXKAFQZHAIG-QGZVFWFLSA-N 436.582 1.473 30 10 IDEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1728118948 GPGPNTOBXUECBL-SFHVURJKSA-N 428.562 1.783 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)CN(C)C 1729071721 UVZKYMPUSPODIW-UHFFFAOYSA-N 426.569 1.996 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1730696803 HTTCQMSSOZKXLW-UHFFFAOYSA-N 446.515 1.674 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(=O)N(C)C)c1 1740557517 LIBOGJDXZCFNEL-QGZVFWFLSA-N 438.532 1.374 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCNC(=O)c1cc[nH]n1 1740605360 BJULIWQFQMSZRJ-UHFFFAOYSA-N 428.294 1.930 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)(F)F 1740632545 LOPSAVIKYSPNNC-UHFFFAOYSA-N 443.227 1.787 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1740655628 DYECUVCDIOITFV-GOSISDBHSA-N 447.586 1.492 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1740697568 JRYMTPXYYCUTHA-AOMKIAJQSA-N 447.486 1.842 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@H]2OC)CC1 1740701193 XRTDPVJIJUBDGP-MSOLQXFVSA-N 430.553 1.197 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740718478 PJJCRTHBYUYCLD-INIZCTEOSA-N 441.623 1.447 30 10 IDEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C)C1CC1 1740910196 LPLRHRLOGUFBAZ-SFHVURJKSA-N 433.534 1.837 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740953215 YSURVYIVCDUJDU-NWZZKEMCSA-N 437.541 1.077 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1741129590 FMDRRVVBKXOHMW-HNNXBMFYSA-N 431.504 1.764 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C2CC2)C1 1741233649 YUPNVQSFEJPOSL-DYXJYMTDSA-N 446.552 1.939 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H](C3CC3)N(C)C)CC2)c1C#N 1742668882 FMAKMZGTXOQYKX-LJQANCHMSA-N 425.585 1.982 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CCC(C)(C)O 1743231407 CKNGQCWICVDLQW-KRWDZBQOSA-N 447.547 1.802 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748821132 MDQOPIMOGVSZBK-OAHLLOKOSA-N 433.500 1.351 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1748868502 XYAPJSSLJJLHEQ-INIZCTEOSA-N 433.509 1.569 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2C)CC1 1748989751 OGYQFVFFLGNPLB-IBGZPJMESA-N 445.564 1.626 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](C)OC)CC1 1749014815 PFXGVSASMBTNRT-OXJNMPFZSA-N 439.516 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749736911 SJPSDTHAYGZNRY-GOSISDBHSA-N 441.561 1.592 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1760097225 BWCCTHGSEWREMA-NEPJUHHUSA-N 444.359 1.005 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1760117752 SUUQNXIARQIBHJ-IAGOWNOFSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190343 ZVVVVGVHNUZIAE-QYZOEREBSA-N 437.610 1.385 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1760206502 BNQPMBVPAAVLEH-QGZVFWFLSA-N 426.546 1.063 30 10 IDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CC1(N2CCOCC2)CC(OCC)C1 1760222031 UPTIOOHMPJYNNJ-UHFFFAOYSA-N 425.577 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCSC2)CC1 1760271057 KFSCIHAVJMAZNJ-INIZCTEOSA-N 430.578 1.119 30 10 IDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1760361212 HMEOWTFWWVOBDD-GOSISDBHSA-N 433.484 1.540 30 10 IDEE C=CCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1760444667 NCPVFNZJFBECMQ-JTSKRJEESA-N 446.552 1.663 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760526725 RWVQDDAHXULZQS-HZPDHXFCSA-N 444.561 1.435 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)n2)C1 1760541915 BRFPJUSOICUIFQ-PKOBYXMFSA-N 431.562 1.908 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1761362535 CWWQFRAKFVTNFM-ILXRZTDVSA-N 428.584 1.245 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1761368087 KNKUTSJTFZTGEX-IRXVASQBSA-N 441.467 1.311 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)on1 1762683496 DEGZSULNCBUQJC-GOSISDBHSA-N 442.501 1.697 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1 1763037413 ZDDYEOBXMQSORQ-IEBWSBKVSA-N 438.532 1.927 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1767504221 ZOZBAGQZTJLSLR-DNVCBOLYSA-N 445.321 1.915 30 10 IDEE COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@@H]1C 1769496978 AAJHFTQEWYBKMM-AWEZNQCLSA-N 427.465 1.190 30 10 IDEE CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1770521489 MWVGZPHHXLASHP-HFUDNHEJSA-N 447.565 1.275 30 10 IDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)CC1=O 1853872588 RBGJYTVXNTUGLQ-HNNXBMFYSA-N 425.457 1.795 30 10 IDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854414173 NMNNZDHPOUEFCW-OAHLLOKOSA-N 437.493 1.820 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2cccc(OCc3ccccc3)c2)CCN1S(=O)(=O)CC#N 1854721947 CAWAVBBTZGFLKG-INIZCTEOSA-N 427.482 1.792 30 10 IDEE C=C[C@H]1CCCCN1[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855411567 HSBBCOONIOFAMD-DOTOQJQBSA-N 431.514 1.389 30 10 IDEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1cc(C)ccc1S(C)(=O)=O 1860995158 DTSYRPQCAGXNAY-KRWDZBQOSA-N 439.578 1.849 30 10 IDEE C=CCNC(=O)[C@@](C)(CC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593783 MIPUQSNZHHOELI-UZUQRXQVSA-N 431.533 1.682 30 10 IDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CSc1nccn1C 1870290592 BDJLHUMPTNCXCW-UHFFFAOYSA-N 433.578 1.897 30 10 IDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870535124 HWOANXBSCFRLTR-OALUTQOASA-N 434.581 1.480 30 10 IDEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870562334 AROWLVXPSRKIEV-UHFFFAOYSA-N 439.512 1.612 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1(O)CCC1 2022938432 XKWILKYHBVFNRP-CABCVRRESA-N 438.525 1.766 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2215657640 FDJHNHPLKYOOJF-LBPRGKRZSA-N 446.289 1.911 30 10 IDEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247954167 YSORGNWCKZNKNM-ZDUSSCGKSA-N 441.359 1.572 30 10 IDEE Cn1nc(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255625129 NBVIPUPMGSTLSR-NRFANRHFSA-N 434.346 1.849 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255649399 SWZYWGPZTNZSBS-CQSZACIVSA-N 434.346 1.849 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2255650298 YULCSQVKJNCCOC-HIFRSBDPSA-N 434.346 1.847 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2255692598 BXIRTUBZUNDGLV-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255699223 OIRKSXKXLBYJAA-HOTGVXAUSA-N 433.314 1.091 30 10 IDEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)COCc1ccccc1 2255748447 CPEQIOBYXSEEQZ-INIZCTEOSA-N 449.382 1.851 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255823358 UEDZVBTVOYWHQZ-UONOGXRCSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2256678971 IHEXCKNJXPKNFH-XHSDSOJGSA-N 436.314 1.141 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@@H](O)C1 2256889022 OUNDQJHTIRUVSN-OAHLLOKOSA-N 437.321 1.938 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CCC(=O)O)Cc2ccccc2)n1 2256910990 WGCNPUCGXWVJIY-UHFFFAOYSA-N 449.338 1.385 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2257589140 DAEAYHDFSFWCER-CYBMUJFWSA-N 438.334 1.057 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267012618 XFVNOBNIOLJTFH-OAHLLOKOSA-N 448.325 1.775 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267136334 JJTBDGBYKYOIMY-SRMUXQRQSA-N 448.329 1.119 30 10 IDEE CN1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2267181778 XDBZGNUYKWETLA-OAHLLOKOSA-N 449.357 1.860 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267197899 PXXWJRIPUTUNGU-ZIAGYGMSSA-N 446.357 1.623 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)c(F)c2)OC1(C)C 2282325877 KYDHDGVVRAUZQQ-CYBMUJFWSA-N 427.303 1.508 30 10 IDEE C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282840783 JHTVMFMXPSISBW-VIFPVBQESA-N 443.805 1.412 30 10 IDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCCC1 2286056547 CMGFWWGWCMZSJC-OALUTQOASA-N 436.530 1.956 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 15328413 UWGYVLZTWKKOOZ-UHFFFAOYSA-N 449.510 1.040 30 10 IDEE CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 16775697 JCHUUHNZPZYCHV-OAQYLSRUSA-N 440.525 1.659 30 10 IDEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCN3CCOCC3)cc2)c2ccccc21 33272763 BKOJFHRVPIIJJK-UHFFFAOYSA-N 448.523 1.460 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1 63314529 CWKIAIBXYNCCAW-NRFANRHFSA-N 448.527 1.894 30 10 IDEE CC[C@@H](O)[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 96031656 OBFKEHNWUXWRPI-NMOHYSPVSA-N 446.540 1.688 30 10 IDEE in-vitro C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2cc(OC)ccc2Br)CC1 409539407 ZBZWEFYJBROINI-UHFFFAOYSA-N 446.367 1.207 30 10 IDEE COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)[C@H](C)n1cnc(C#N)n1 409864055 JKJGUVBGGMPWAZ-HZMBPMFUSA-N 445.277 1.855 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C[C@@H]1CCCO1 445591138 JRFLICGNEVMMSA-HNNXBMFYSA-N 449.935 1.911 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)n1 447246586 HEHRFQLWOIDUFN-UHFFFAOYSA-N 427.486 1.042 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 462102364 MWHJLAOENKTJCN-UHFFFAOYSA-N 437.485 1.677 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H]3CCC[C@@H]3[C@H]1C(N)=O)CCCC2 469835795 GJGZRQFVJSLJKY-DOWNOZBLSA-N 439.560 1.942 30 10 IDEE N#CCc1ccccc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 475803540 KJFJALLGGNSSNY-UHFFFAOYSA-N 437.499 1.280 30 10 IDEE Cn1cc([C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C(F)(F)F)cn1 487750226 MGKNVRSPQWSGHR-GOEBONIOSA-N 434.378 1.917 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN([C@@H](C)C(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506641917 IGHLWDYFUCQGNI-GHTZIAJQSA-N 449.559 1.740 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 510872105 MYPSZIDFLRWXTC-UHFFFAOYSA-N 440.529 1.542 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 511454256 NJPWOISBGVPUGX-UHFFFAOYSA-N 442.516 1.986 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 514439918 GYXSVTLNPKGJGS-UXHICEINSA-N 437.592 1.919 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cnc3sccc3c2=O)cc1 523357804 SNFZELVVTLOJCJ-OAHLLOKOSA-N 425.495 1.870 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)o1 531938527 IECXNYBOVKVWKX-UHFFFAOYSA-N 449.532 1.823 30 10 IDEE Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 552885681 GCYGHADULQMLDN-UHFFFAOYSA-N 447.337 1.950 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCCCO1 559223647 HZHYNUXOOAKDRP-GOSISDBHSA-N 438.536 1.579 30 10 IDEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609255599 DXMCUDYJFBYNPG-UHFFFAOYSA-N 440.431 1.433 30 10 IDEE C#CCN(C(=O)c1nnn(-c2cccc(Br)c2)c1C)[C@@H]1CCS(=O)(=O)C1 729335989 YUYWLPCLTMCSCH-OAHLLOKOSA-N 437.319 1.601 30 10 IDEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O)Nc1cnccn1 730716923 BUSWZVZDXCXRDP-OAHLLOKOSA-N 442.476 1.855 30 10 IDEE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732467654 WDDNTXSABFMPMM-RJCBAWPRSA-N 427.461 1.334 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2ccnc(C#N)c2)c1 747009315 SFDSFZIBNCGNJR-UHFFFAOYSA-N 432.502 1.745 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 749929156 JJKBRTOMTYLPIZ-QGZVFWFLSA-N 432.521 1.225 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccccc3)c2=O)c[nH]1 753359409 RQADDHHFJXCSEZ-UHFFFAOYSA-N 435.505 1.801 30 10 IDEE CN1CCO[C@H]([C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccc(Cl)cc2)C1 766035833 DMZSFJHYZKCKIT-ONSBYIPCSA-N 432.908 1.744 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 770652722 YUYOTURVZAZWLP-AWEZNQCLSA-N 446.616 1.264 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC)c1cc[nH]n1 772329972 MTLPLEHQHWMCLY-NVXWUHKLSA-N 434.493 1.664 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2nc(C(=O)OCC)cs2)ccc1F 787344686 QUQSYARVDCSZJV-UHFFFAOYSA-N 441.506 1.896 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)n1 788903686 ICNIVUZHDCOJAQ-UHFFFAOYSA-N 439.516 1.347 30 10 IDEE C=CC[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)c1ccncc1 805807948 PFIJAXHTECUKIR-LJQANCHMSA-N 440.525 1.418 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(C)C)c1 813562986 FTYFQBOQQCDTFI-YJBOKZPZSA-N 447.605 1.944 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)c1cccnc1 813717579 NIKTXGGTKDPMSF-WMZOPIPTSA-N 430.530 1.427 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)N3CCC[C@H](C(N)=O)C3)C(C)C)cc2C1=O 876538325 OYOWLGGDLLNUMS-MAUKXSAKSA-N 441.484 1.374 30 10 IDEE COc1ccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 916178957 WVSKRSHAYZTYFI-UHFFFAOYSA-N 437.499 1.077 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)NCCCC)c1)[C@H]1CCS(=O)(=O)C1 1116473535 MCCNMMYYLFCPJH-INIZCTEOSA-N 427.548 1.419 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)cc1 1132656416 HDTFXUHCLWMUHZ-UHFFFAOYSA-N 442.497 1.884 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](CC#N)C(F)(F)F)c2)CC1 1133828218 TYUGZPLRXKNKLY-OAHLLOKOSA-N 432.424 1.114 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 1175514648 CAJKSJMYMNLYBX-UHFFFAOYSA-N 440.550 1.935 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1[C@@H](C(=O)OC)C1(F)F 1176390071 KBPFAJRAGAQENL-GUTXKFCHSA-N 443.472 1.454 30 10 IDEE N#Cc1cc2c(n(CC(=O)NCCCN3CCCC3=O)c1=O)CCN(Cc1ccccc1)C2 1189781166 ZVENMGIJIBRDTE-UHFFFAOYSA-N 447.539 1.407 30 10 IDEE C#C[C@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)c1ccc(Br)cc1 1211982402 UVMONAJNTXAWQU-HNNXBMFYSA-N 430.324 1.732 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1214354261 JKFWWSZJMAJKMY-CALCHBBNSA-N 434.562 1.704 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCN4CCSC[C@@H]34)CC2)cc1 1248686023 OMOWVPQNCLCTLO-MOPGFXCFSA-N 449.602 1.154 30 10 IDEE N#CCOc1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 1251830454 HPOYEVDFVPNQJF-UHFFFAOYSA-N 435.527 1.852 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)n1 1271204502 MENOCGIZSWNYSL-OAHLLOKOSA-N 436.559 1.093 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1286397190 RUUQVYHXAWXOTQ-HNNXBMFYSA-N 433.559 1.137 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1286421388 XPOKGMSXSICPGW-HOCLYGCPSA-N 434.591 1.920 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1286431476 OASSNOBLCQFPGA-FQEVSTJZSA-N 435.528 1.760 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCc2nccn2C1 1286459764 PSHVZELYTVSBGT-XMSQKQJNSA-N 428.537 1.475 30 10 IDEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1286635026 HYKJZGHAJRNZTO-JXFKEZNVSA-N 439.944 1.510 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCC(O)CC2)CC1 1286651424 DLNGGNGNDGYDBK-MRXNPFEDSA-N 440.614 1.138 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1286711891 QNUSUMCHWWCHQS-LJQANCHMSA-N 448.593 1.886 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@]3(CNC(=O)C3)C2)cc1 1286793950 QOVQQMWUFUJROZ-HSZRJFAPSA-N 438.532 1.746 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1286968176 OQUNOBBWAUQDPI-YJYMSZOUSA-N 439.488 1.293 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1291303634 XTPMUGXGDVBWGA-RDCVWBNRSA-N 443.895 1.745 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)s1 1292433892 ZEMRBSTUFYCSLZ-QGZVFWFLSA-N 433.555 1.672 30 10 IDEE N#CC1(CC(=O)NC[C@H](O)COc2ccc(I)cc2)CCOCC1 1294794687 NKJNYCXEUVDIFA-AWEZNQCLSA-N 444.269 1.858 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@@H]2CCOC2)CCOC1 1296605814 KIFUBPVBHBSOSO-IOMROCGXSA-N 437.516 1.815 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1 1300268176 OHUTUEVWPIXTBM-HNNXBMFYSA-N 425.480 1.803 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1N1CCOCC1 1300553744 QXPIMVXHSAIKKA-UHFFFAOYSA-N 434.544 1.764 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C(C)(C)C)no2)CC1 1300706888 UCYXKRXAKCFZPM-UHFFFAOYSA-N 425.537 1.490 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1300725807 DQURMLFYHLUDTI-KRWDZBQOSA-N 438.523 1.162 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300989530 PHJLWWMIQYSVRV-KRWDZBQOSA-N 441.598 1.625 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301457807 BEIHDRINLHCJOH-HNAYVOBHSA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCCCC2)CC1 1301496682 FLYXHUPJNCEDJN-UHFFFAOYSA-N 426.569 1.683 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1301854303 VAHFBCVZSMXHSW-WMZHIEFXSA-N 438.532 1.975 30 10 IDEE CC(C)C(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302444019 YPJIMAOTCXHCFN-HXUWFJFHSA-N 436.564 1.603 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(C(=O)OC)C[C@@H]1S(C)(=O)=O 1303251285 YYJBLIQYMXOTSB-BWACUDIHSA-N 438.930 1.115 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1313314878 JDQXKRATKNODGG-HLLBOEOZSA-N 429.525 1.824 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3-n3cnnn3)CC2)nc1 1355820350 BZMZTTLUJNIKEG-UHFFFAOYSA-N 439.277 1.654 30 10 IDEE CCN(CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)S(C)(=O)=O 1358258736 HBDNKXIIRMXTHD-CQSZACIVSA-N 426.926 1.352 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1358904206 YVBJWKLQQRUQAB-MRXNPFEDSA-N 430.534 1.742 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1358913618 SLYUIDKONQDNEO-KRWDZBQOSA-N 448.618 1.762 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1358913732 WUZKESJTZYDGDC-HXUWFJFHSA-N 439.516 1.889 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOC2=O)cc1 1358967322 IBJNCJNIOQSTTF-UHFFFAOYSA-N 432.484 1.592 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1358999414 QKLKGNMQNMCHAG-CMOCDZPBSA-N 443.592 1.964 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1359024706 SZVMDLHNPKIQKK-OALUTQOASA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)CC1 1359031770 OSUJZXKJWMNMBI-UHFFFAOYSA-N 430.516 1.463 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@@H]21 1359133191 MVTMZZXHCMTWRQ-SQNIBIBYSA-N 439.582 1.583 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1359158287 MBJUEBSUOSIOKJ-MRXNPFEDSA-N 426.512 1.929 30 10 IDEE C=CCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290135 JUGLCPASVBCUFA-KKSFZXQISA-N 432.525 1.271 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1359297971 INLCRBXWYDRQMB-UHFFFAOYSA-N 436.520 1.673 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]([C@H]2CCCO2)C1 1439561384 CJXISOSRYNUBMU-NZSAHSFTSA-N 449.529 1.451 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 1455114682 HNQURWMOPVNKQW-UHFFFAOYSA-N 438.962 1.618 30 10 IDEE N#Cc1cc(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1Br 1456319731 FZJHBJSTRRMYFS-QGZVFWFLSA-N 435.322 1.973 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)cc2C1=O 1456333370 LPFPBLQAXBNUCT-QFIPXVFZSA-N 429.473 1.570 30 10 IDEE C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1456437805 ZUWZLYQXDVZPAX-QRQCRPRQSA-N 447.536 1.527 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)NCc2ccc(C#N)cn2)(C(=O)OC(C)(C)C)C1 1460674286 YGIKBNJYWWWZBW-JOCHJYFZSA-N 446.504 1.917 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 1466939387 KABNXPVWTYWCTM-LPHOPBHVSA-N 439.516 1.949 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[C@H]1C(F)(F)F 1470101946 FUQQKKDVWVNWND-NEPJUHHUSA-N 431.419 1.637 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H]2c3ccccc3OC[C@H]2CO)CC1 1473870878 RKMQMHOUEKXSAO-TVTNDZMWSA-N 426.542 1.789 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNC(=O)OC(C)(C)C 1492912531 ZMHQPOACAKRNPP-OAHLLOKOSA-N 441.540 1.878 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1494135617 GEDSEXHDQFZYSN-IXDOHACOSA-N 440.552 1.492 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507590076 BYAJBBKZUKISRE-WOJBJXKFSA-N 448.637 1.198 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507631573 QSZOVTLTGUMGCG-HOTGVXAUSA-N 432.575 1.648 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1507667029 NEXHZSLIWGJIAZ-UHFFFAOYSA-N 434.525 1.693 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1507749075 VUCSEJGBEJQNPL-UHFFFAOYSA-N 436.559 1.564 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1507753066 IFKSGZMVBIPKRK-RTBURBONSA-N 430.578 1.890 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1507772051 KZEKVZLIVXDXQW-JOCHJYFZSA-N 427.480 1.847 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCNC(=O)CC1 1508072389 JLPUFGJFNISUHT-AWEZNQCLSA-N 428.562 1.760 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508095448 PAVPFRRPNKMCCY-IBGZPJMESA-N 449.515 1.152 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1508098219 YRKOSJCSXPZCAF-HUUCEWRRSA-N 431.497 1.516 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)cs1 1511545434 IJKNERALYMPKPN-TXPKVOOTSA-N 445.593 1.862 30 10 IDEE CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)CC1 1515939778 DMQYSAXJBNGSFM-UHFFFAOYSA-N 430.601 1.574 30 10 IDEE CCOCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)CC1 1516766123 BTGYCLRPGQOLHI-UHFFFAOYSA-N 440.548 1.924 30 10 IDEE CN(CCC1CC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1517281190 KKKVBYAHNJADOD-FMQUCBEESA-N 427.509 1.163 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCCC1 1519318467 IXQCKRBJKLEXEN-HKUYNNGSSA-N 432.569 1.874 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)C1 1521056956 SYTGBMQOWNSGRX-DYESRHJHSA-N 433.532 1.193 30 10 IDEE 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CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1743452054 LYFKPUWTWAIFEX-HSZRJFAPSA-N 440.548 1.957 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1748791485 TYUAVFJAJALKOJ-AWEZNQCLSA-N 443.451 1.634 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817240 HJKVAAXRZRIFJL-MSOLQXFVSA-N 433.578 1.999 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(CC)C2CC2)CC1 1748979342 XVWLMGFAZGYDDC-HSZRJFAPSA-N 430.597 1.558 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCN(CC)CC2)CC1 1748983936 IEQFOSMNMJPIAM-UHFFFAOYSA-N 439.583 1.867 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCCc2ccccc2)CC1 1748984464 RSSMDVMZWJVMNY-UHFFFAOYSA-N 429.528 1.454 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)(F)F)CC1 1748987032 OWBPNJFXWNQEKP-UHFFFAOYSA-N 440.426 1.688 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749363323 AQWOBUSMGQGIKF-IRXDYDNUSA-N 430.553 1.659 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCCS2)C1 1749697395 JUBLANXFLYNIBC-IIDMSEBBSA-N 429.612 1.955 30 10 IDEE COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749797870 AFYRYFWMYKGQLJ-NRFANRHFSA-N 447.561 1.475 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCS(=O)(=O)C1 1749827766 KHUZFCROKFGFRU-CQSZACIVSA-N 438.941 1.795 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1752007703 SALVWYVIZFQLGK-QRVBRYPASA-N 431.585 1.903 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760145983 ZCRIKWSARFKCJI-UONOGXRCSA-N 437.488 1.849 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCS2)CC1 1760266159 RCDQQPFKYBPXCA-PGRDOPGGSA-N 447.605 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCN(C)C2)CC1 1760268472 SBNUIFCHUFSACQ-QHCPKHFHSA-N 440.523 1.117 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760311826 BKUUQOOAZDUZFK-AWEZNQCLSA-N 441.374 1.512 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760526219 IEVHTXWVWDKOFO-JPYJTQIMSA-N 441.532 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760547011 BLJPQDARRJTSSP-HOTGVXAUSA-N 425.555 1.119 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1760686866 AMSIWBQGWRXRHT-LHSJRXKWSA-N 443.939 1.936 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nnc(C)s1 1762302894 POHHKAGKNYCQAD-OAHLLOKOSA-N 432.554 1.718 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1769324787 BYAXZAOPESJIDW-UHFFFAOYSA-N 435.532 1.934 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769390727 KSJKIARDQJFJMO-HMWBCQRISA-N 439.476 1.189 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C[C@@H]1C 1769478379 ZMYXLVNJIDQEAQ-LPHOPBHVSA-N 440.504 1.899 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCSC1 1770043914 JYDZBPUWKANWOO-SYNHAJSKSA-N 436.582 1.047 30 10 IDEE 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COc1cc(OC)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 486621097 QMCXDUWOJZPYLF-QGZVFWFLSA-N 445.497 1.663 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487517630 SRFKBLHUVNYXBB-IPMKNSEASA-N 428.489 1.411 30 10 IDEE C[C@@H]1CC[C@](CO)(N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 495227932 CGBIQIBKXNZXOH-ZHRRBRCNSA-N 427.505 1.938 30 10 IDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508938984 PEWRVACEKUXNTR-UHFFFAOYSA-N 435.532 1.678 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 511767122 ATWFNWPRLXHVDH-HXUWFJFHSA-N 426.542 1.900 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)n1 531906909 CALQPFUXNYIUKE-QGZVFWFLSA-N 439.537 1.755 30 10 IDEE N#Cc1cc(NC(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)ccc1F 533640982 KWHXWFJXWSCZAD-UHFFFAOYSA-N 444.488 1.878 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccc(C)c(F)c1 538497456 VSRYSGTVTYAUKB-UHFFFAOYSA-N 438.484 1.308 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 541225243 ILEBHPCSWPIBJT-QGZVFWFLSA-N 425.489 1.767 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccccc1 573369213 YQGBYLAAOPWDAT-GOSISDBHSA-N 435.550 1.450 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccncc2OC)CC1 575808077 GSZPYLNSJLBTEF-MRXNPFEDSA-N 432.550 1.487 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)/C=C/c2cccc(F)c2)C1 585824774 ZCYQMPTWRUDKLW-QNICDLNXSA-N 435.455 1.941 30 10 IDEE Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1S(=O)(=O)NCC#N 608867980 KUYGIQVHKNNGFI-UHFFFAOYSA-N 432.546 1.662 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 615340229 CZPRXHYFTCGJDI-UHFFFAOYSA-N 426.340 1.980 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2-c2ccccc2)c(=O)n1CC(N)=O 727161422 YLFUBYXXXJMSNO-UHFFFAOYSA-N 443.528 1.934 30 10 IDEE N#C[C@@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 731203153 KVNXYJWLDLMCQH-CQSZACIVSA-N 428.308 1.502 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 732676409 ASXKAJABWXPVFD-INIZCTEOSA-N 439.607 1.703 30 10 IDEE COC(=O)[C@@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1ccc(C#N)cc1 740239979 ZVWTWYUMBIMIDO-SFTDATJTSA-N 447.447 1.791 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)cc1C#N 747495908 UHPFJCUOLUZOMM-UHFFFAOYSA-N 432.436 1.828 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)Cc2ccco2)cc1 748527054 WWEZJNXKQPBURX-GOSISDBHSA-N 447.538 1.365 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 754390685 XEUQCXQKOPGZPK-MRXNPFEDSA-N 436.534 1.635 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O)c1cc[nH]n1 772639827 ISJCGFNHPRJPEF-KRWDZBQOSA-N 441.488 1.540 30 10 IDEE COC(=O)c1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)ccc1Br 775141170 QSZHEEBHRHPOSA-UHFFFAOYSA-N 446.261 1.669 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2C(=O)N2CCOCC2)n1 788561305 RDFUIZAHGSWSMW-UHFFFAOYSA-N 425.489 1.669 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)n1 788815015 SQMPNNMGCFTTFM-UHFFFAOYSA-N 436.509 1.631 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccsc1 790427510 FUAPYBBFJVKGGB-UHFFFAOYSA-N 447.545 1.734 30 10 IDEE C=CC[C@@]1(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790489037 JOZIZGIANSNGLV-FQEVSTJZSA-N 444.598 1.026 30 10 IDEE CCCOc1nc(C)ccc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 791739771 URLWTWDLAMOLKU-UHFFFAOYSA-N 427.461 1.853 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CC3)c2=O)c(C)n1 794610104 YFRRPJBEKRSPOW-OAHLLOKOSA-N 439.537 1.764 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 803523667 JJBQKQIRTKXRQR-AWEZNQCLSA-N 428.290 1.643 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3COC)cc2C1=O 806092381 YFDKLVJCHGYSHQ-UHFFFAOYSA-N 428.466 1.875 30 10 IDEE COc1cc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)ccc1C#N 1128779611 XOOMRVOFTCQTND-IIBYNOLFSA-N 449.529 1.465 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(OC)c(OC)cc1I 1132451397 DYUSTCANYZBQGN-UHFFFAOYSA-N 432.214 1.837 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1 1143086226 BKDRUUJFALXBKR-OAHLLOKOSA-N 431.436 1.533 30 10 IDEE COC1(OC)CC2(CN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@H]2C(C)C)C1 1163812386 GSSQXTHIZZVDIB-QAPCUYQASA-N 435.546 1.861 30 10 IDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1171836256 TWCAQWVIAVFNJJ-UHFFFAOYSA-N 432.477 1.842 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(n2nncc2I)CC1 1196124194 LDKATGYQZUTDNC-LRDDRELGSA-N 444.321 1.963 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1286287556 FVMBTQNSXBXKQP-BTYIYWSLSA-N 425.514 1.501 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286299266 UVLRMKVUUUSFRQ-XHSDSOJGSA-N 439.582 1.894 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2COCCO2)c1 1286309920 OZRBSEBCWFBAGP-LJQANCHMSA-N 432.484 1.812 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1286387842 IXGWELTUWFQHPC-IAGOWNOFSA-N 447.948 1.504 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286397718 CBSXTMYYMGQUNP-UFYCRDLUSA-N 444.557 1.677 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1286447546 LLCUSDAKNYCSNJ-MRXNPFEDSA-N 445.536 1.896 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1286466675 IJSJAOAVCFIXJL-GOSISDBHSA-N 447.561 1.497 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NC)CC1 1286506476 VLGZNYWGYNIBFZ-UHFFFAOYSA-N 434.516 1.975 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1286628783 GGQBETZVUIMYMI-LSDHHAIUSA-N 433.962 1.226 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286779562 JARJWDXJBNZMSZ-KXBFYZLASA-N 445.520 1.505 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCS(=O)(=O)CC 1286780489 WALPZXGYVKTKQC-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1287018899 GIBWABPQOXRVAZ-ABSDTBQOSA-N 430.553 1.971 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)s1 1294915794 LVQWHWBAQNQUGC-GJZGRUSLSA-N 432.589 1.323 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC3CCN([C@H]4CCOC4=O)CC3)ccc2c1=O 1295430833 VYJDWHKWTABNHJ-KRWDZBQOSA-N 428.514 1.381 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300481369 AABKPMZLKWMVGW-QFBILLFUSA-N 443.573 1.760 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1300496731 UMGAKWAGEVZYEB-GUDVDZBRSA-N 435.594 1.141 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1300609421 OXSIGRGJVFOSLL-UHFFFAOYSA-N 433.520 1.783 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1300928900 PWIFNSKKINOZNA-KGLIPLIRSA-N 439.542 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301576717 AKGRVKJAFACLDW-OAQYLSRUSA-N 445.545 1.885 30 10 IDEE N#Cc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1349654810 YACVZJBIVFUHPA-VMPITWQZSA-N 439.493 1.876 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1358872630 WWCIEOIZJHAJLH-BXWFABGCSA-N 448.593 1.658 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1359019663 CBYJFSCVDFTRAE-INIZCTEOSA-N 448.545 1.483 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1359022524 DCSGKPPNRYFYFP-OAQYLSRUSA-N 443.529 1.062 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C)COC1 1359023827 XWWWETMOIUVTIZ-UHFFFAOYSA-N 436.516 1.797 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@H]2COCCO2)n1 1359028514 VCQYORSKZSNNQH-IBGZPJMESA-N 430.553 1.765 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)NC)C1 1359091085 JBBBHSCPBNLHBQ-MANSERQUSA-N 435.569 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1359094521 BZPJXXNRNZLGKI-AEFFLSMTSA-N 432.550 1.403 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359126095 FTEJPKGWUKVALU-SPEDKVCISA-N 433.553 1.880 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359230111 GKTAUJXDXCPCEA-OZIGNCPNSA-N 436.553 1.979 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359303502 QSQSFXSXSFSJNL-INIZCTEOSA-N 442.545 1.276 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359304135 NOGOTVMMCJNNDS-HSZRJFAPSA-N 438.532 1.635 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359341997 MHGLYNYNXFDJOP-QWHCGFSZSA-N 446.499 1.653 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1359424517 FSHRDUBIWRIWBF-ZWKOTPCHSA-N 437.504 1.112 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1359461764 IIWPGKOVMFDJQM-IBGZPJMESA-N 449.519 1.688 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)N[C@@H](C)CC)CC3)n[nH]2)c1C 1441044264 DCHNVFBKKJMSOL-HNNXBMFYSA-N 427.553 1.749 30 10 IDEE CN(C)C(=O)Cn1ccc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1442845467 JNFQAVPDGMOIDF-DBWCEAHUSA-N 430.509 1.697 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC3(C(=O)N4CCOCC4)CCCCC3)cc2C1=O 1463382327 IITBRASJIHEMDW-UHFFFAOYSA-N 425.485 1.760 30 10 IDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)O1 1464066800 MXNNAKZYSSENGB-QFBILLFUSA-N 425.489 1.876 30 10 IDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(C)n1-c1ccc(C#N)cc1 1466865964 DEIUVCMFPIMURZ-UHFFFAOYSA-N 438.513 1.836 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C1 1469544091 GBICSXUPMXHTOO-GOSISDBHSA-N 429.480 1.867 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 1470285120 HTLKGCFQGAMYCQ-IAGOWNOFSA-N 439.509 1.675 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(c2ccncc2)CC1 1472363548 UQRNXXVXGCSMNB-UHFFFAOYSA-N 427.530 1.686 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)C1 1503680665 YBKRKMQUQRTWTP-LIRRHRJNSA-N 447.337 1.503 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCOCCS(C)(=O)=O 1504408084 VBOXLIMYCMCCGO-UHFFFAOYSA-N 447.561 1.679 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507544917 FWOMMYXUJBXEPS-SJORKVTESA-N 447.561 1.605 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1507616161 HHYOIQHNRDHNMH-AWEZNQCLSA-N 425.555 1.553 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1507661390 UFQYHHRKTIEFFH-NQIIRXRSSA-N 434.562 1.218 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1507721096 YFXOZCYPHOCXAP-XXBNENTESA-N 445.564 1.875 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2nccnc2C)CC1 1507737952 DNVPGFIMPCZBIV-FQEVSTJZSA-N 437.548 1.827 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507804182 JBEKWNOFAUVQTJ-MLYOOKFZSA-N 433.553 1.794 30 10 IDEE C=CCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507953118 GGYHOUPOFLPCGC-FXAWDEMLSA-N 441.598 1.755 30 10 IDEE C=CCCOCCn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507964993 OHFHQHRVNUTZNJ-QGZVFWFLSA-N 427.571 1.064 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(N3CCN(C(C)C)CC3)CC2)nnc1C(C)(C)C 1508097068 GNJBJZYOUNLUSA-UHFFFAOYSA-N 431.629 1.873 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1508139003 BQCXHOMORHORPK-HOTGVXAUSA-N 447.565 1.077 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)COc2cccc(I)c2)CC1 1521309631 KOOKBHAMUGHBHW-UHFFFAOYSA-N 428.226 1.975 30 10 IDEE C[C@]1(C#N)CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCO1 1536619649 RISUYTLZUJHVLY-ZWKOTPCHSA-N 435.278 1.357 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539203489 QTXXQIBURKNSCB-WMZOPIPTSA-N 435.594 1.867 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1539225219 MFSIBDWHHMFKEN-FQEVSTJZSA-N 436.541 1.528 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2CC)CC1 1539484141 DOYHAWULYFYRKU-OAQYLSRUSA-N 435.576 1.714 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539760047 SFXFOFNZIINLOE-FIKGOQFSSA-N 435.525 1.626 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1540074452 YUYRSLITOZUSOV-LPHOPBHVSA-N 427.505 1.908 30 10 IDEE C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1540591318 VCNKHKNLGLAQTI-WMLDXEAASA-N 447.536 1.936 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(COC)CC1 1540866500 PCEGAUCIUAPNIF-UHFFFAOYSA-N 437.508 1.086 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ncnn1CC(F)F 1540868951 XFWDXBKOACKNFZ-UHFFFAOYSA-N 431.451 1.444 30 10 IDEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CCN2CCCS2(=O)=O)cs1 1542905023 BZJDVHSDSPZJJT-UHFFFAOYSA-N 449.606 1.799 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1554130917 URVJNCITLWZSDU-GOSISDBHSA-N 442.520 1.495 30 10 IDEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN1S(C)(=O)=O 1555039617 DENIMYLVOGBBIK-JKSUJKDBSA-N 432.550 1.974 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555421297 DCVJRQSZKQGNAL-QFIPXVFZSA-N 436.520 1.654 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCSCCCO)CC2)nc1 1555991561 QXSVZVMQVZZLSR-GOSISDBHSA-N 443.577 1.491 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCc3ncc(Br)n3C2)c1 1562012927 KGIZMWPJLCFXEI-CYBMUJFWSA-N 439.335 1.855 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](CO)C(=O)OCc3ccccc3)CC2=O)cc1Cl 1567184177 CQACCOHVSXPMCZ-QFBILLFUSA-N 441.871 1.785 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCOCC1 1587970264 SMXIZUJQTAMONN-QGZVFWFLSA-N 445.593 1.276 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1588030604 YEBBFRYMXBNURX-QGZVFWFLSA-N 435.594 1.509 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588055781 ZBORBJVYHRYWLY-WOJBJXKFSA-N 449.621 1.675 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1588084780 WTIUPCIASALMMU-HXUWFJFHSA-N 440.569 1.833 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(N)=O)CC1 1589482191 HGFWLFPPTZAUCI-FUHWJXTLSA-N 432.569 1.879 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595831852 XWMYNRAOZCGSNX-MDZRGWNJSA-N 426.539 1.115 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(C)C)CCO1 1618710127 QBHUGLYSYVJBDL-LJQANCHMSA-N 442.520 1.495 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1618879066 FKESSEIWMGQDQJ-JVMRMLDLSA-N 442.520 1.537 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@]1(N2CCOCC2)CCSC1 1625586789 UFICWNXKYFUJPW-OXQOHEQNSA-N 426.583 1.898 30 10 IDEE CCC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)N1CCc2sccc2C1 1627884409 HJKIHRSNSMFQHA-HNNXBMFYSA-N 429.502 1.142 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCN/C(O)=C4\N=CC=CC4=O)CC3)n[nH]2)cc1 1628705902 AEUFPYPDJTVXDK-GHVJWSGMSA-N 445.483 1.513 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN(S(C)(=O)=O)C2)cc1 1630687462 VCHRPDJWHAQSQC-JZJYNLBNSA-N 442.563 1.110 30 10 IDEE C=CCCC[C@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 1638401605 RVHVMRYBLPIMMV-ZWKOTPCHSA-N 428.489 1.550 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN(CC(F)F)C1 1643441871 VIGWBEHJCIGPHM-ZBFHGGJFSA-N 442.532 1.987 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1643859012 WGKFPGKVUHQNQU-CQSZACIVSA-N 443.547 1.203 30 10 IDEE COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(OC)c1 1645472193 PCWGYJAGJUFCCE-ACJLOTCBSA-N 431.470 1.264 30 10 IDEE CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1645906078 AVFXNHLVRJCXHZ-UHFFFAOYSA-N 448.476 1.814 30 10 IDEE COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCN(CCC#N)CC2)c1 1648962943 FPWQXITYBWLUCO-UHFFFAOYSA-N 444.513 1.873 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCCN(S(=O)(=O)c2ccccc2)CC1 1652344580 FDCCFRVLZUFMOH-UHFFFAOYSA-N 437.521 1.683 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO 1653329138 ADXGPEXGSGCYOV-OTWHNJEPSA-N 448.589 1.197 30 10 IDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1Cc2cccc(C#N)c2C1 1654086706 KSZODOWGZGSNAA-MRXNPFEDSA-N 440.525 1.922 30 10 IDEE Cc1cc(O)nc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)n1 1654809879 HZTLZLMLOPCPLZ-KRWDZBQOSA-N 441.561 1.083 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660309894 LEXJUBGWMQOFJD-WWMYMODYSA-N 427.530 1.686 30 10 IDEE CC(C)(CC#N)CNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1673507713 DDROCEBNPXCQGX-UHFFFAOYSA-N 436.534 1.804 30 10 IDEE N#Cc1nc(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1Br 1679661130 CQCXATDYXCPCKO-NSHDSACASA-N 446.327 1.326 30 10 IDEE C[C@@H]1C[C@@H](CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN1Cc1ccccc1 1680697978 VQYKHKDRPFELDX-RPUPUWCGSA-N 430.574 1.867 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1684150853 NZUHLCPSVSJMNR-IEBWSBKVSA-N 435.532 1.851 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCn1cc(CO)nn1 1689842203 WGCZEHWTQZXYBJ-HNNXBMFYSA-N 425.493 1.594 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O 1689861319 SSRBQTFOIIXKQN-NLFFAJNJSA-N 449.603 1.579 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689987763 BTUPOTSPSCWIFR-ROUUACIJSA-N 443.577 1.094 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1690037051 KGOXJDZFGJCUKS-RBUKOAKNSA-N 442.541 1.351 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N(C)C)CC1 1690117547 LDFYFEJTAYXJBY-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690646657 YIWKPBWXSWCOHD-INIZCTEOSA-N 425.580 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(C)=O)CC1 1690719685 QJHPPFXUFXPMKQ-UHFFFAOYSA-N 431.562 1.777 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCNS(C)(=O)=O 1705545443 AKTGBIPJLDOOOS-UHFFFAOYSA-N 432.369 1.778 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705562740 IYLOFDWSYOLTQW-SFHVURJKSA-N 431.562 1.958 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705567649 XXBCGOQCWTUIPM-KRWDZBQOSA-N 432.594 1.892 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1705580178 FHAGDXDGZGAWQI-FGZHOGPDSA-N 446.555 1.593 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(C)c2)CC1 1705634051 HVEPNFNNKQIDLP-UHFFFAOYSA-N 429.326 1.573 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOC(C)C)CC1 1705638321 GPPKISOKLCHNTM-UHFFFAOYSA-N 449.559 1.855 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)C(C)C)CC1 1705649978 IXYTXVPOMVYJBI-UHFFFAOYSA-N 428.581 1.749 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705664157 WGDVMVYLBHTWLX-UHFFFAOYSA-N 447.630 1.948 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cc[nH]n1 1705861908 SHNHERHGJOUGMO-KRWDZBQOSA-N 434.504 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@H](C)C1 1705938741 IJHDMHPAQFVPOE-IKGGRYGDSA-N 428.555 1.218 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722316727 LWQMOHFWRHUXIO-GOSISDBHSA-N 446.577 1.602 30 10 IDEE C#CCCCCn1c(CC2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1722318817 FUVSFYARXVUFMT-LJQANCHMSA-N 435.594 1.665 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1722361356 MIFYVENSWJDPQX-QGZVFWFLSA-N 428.562 1.451 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)no1 1722376214 YNCJMAWKOKIZMB-UHFFFAOYSA-N 438.513 1.613 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2ccccn2)CC1 1722430844 BMPMQBLATUAXML-UHFFFAOYSA-N 445.531 1.578 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2cccc(C)c2)CC1 1722431174 MXHPUFPMEANESO-SFHVURJKSA-N 446.577 1.031 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)[C@H](C)CC)CC1 1722432931 JHAZGSNFKXBYAP-NFBKMPQASA-N 432.613 1.804 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722628689 YYWRQTANWRMXCV-MOPGFXCFSA-N 432.569 1.371 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1723022770 CTNUIWXFMHXMQU-CUXSNCEQSA-N 431.559 1.169 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)CCN2C1=O 1728527519 SBAHCPUMNDINPK-CQSZACIVSA-N 433.394 1.852 30 10 IDEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1729388674 BZYRLQGFLWASPI-UHFFFAOYSA-N 446.455 1.667 30 10 IDEE CN(Cc1cscn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1729438605 HUFZHKQKZWBLFC-IBGZPJMESA-N 444.542 1.459 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC2=CCCCC2)C1 1731012630 JUYPQVJMQSKJQE-SFHVURJKSA-N 434.566 1.851 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740620967 ITEVCSLXKVOFSA-ZFWWWQNUSA-N 445.467 1.867 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740625464 FTKKNAGKXJOJEJ-OALUTQOASA-N 437.610 1.529 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1740679582 DIQOQYRPKLTVSG-DENIHFKCSA-N 433.553 1.275 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 1740759628 DLUIYQWGVMMXQT-BQFCYCMXSA-N 431.541 1.062 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCNS(C)(=O)=O)C1 1740978507 WMNMBHQGXXXTQJ-QGZVFWFLSA-N 442.545 1.824 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1743783605 OMGGFZNPMUPWFX-WNRNVDISSA-N 436.582 1.725 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1744750150 FBKPBTNEWCKRBH-NOVUIFNWSA-N 426.546 1.833 30 10 IDEE CCN(CC1CCC1)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1746264198 LZFUZPGGIWHFAJ-ZPHPHTNESA-N 429.525 1.569 30 10 IDEE CCS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1747421848 SERLWUVQXYDWBR-QZTJIDSGSA-N 429.518 1.195 30 10 IDEE Cn1cccc1-c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCOCCCO 1748038036 NNSKJVOKZBJMHS-UHFFFAOYSA-N 435.532 1.881 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCS1(=O)=O 1748851231 AEKLGQOUHYHSSA-HXUWFJFHSA-N 426.542 1.940 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1748860118 UBRHRIWAIYYUBC-UHFFFAOYSA-N 431.493 1.105 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1748880293 QEFVNOHQTGEMHQ-UHFFFAOYSA-N 430.505 1.487 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)Cc1ccccc1 1748906373 DIZDUPLYQWKHPW-UHFFFAOYSA-N 443.573 1.979 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](COC)OC 1748940299 HKMQGVZVXNRAGZ-LJQANCHMSA-N 429.496 1.954 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nnc(C)s2)CC1 1749014976 QMRFKBJNWZMYOG-MRXNPFEDSA-N 429.550 1.150 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749120049 ZRSMDKTUEOIAMT-BMFAXAFESA-N 442.520 1.757 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749143931 OVTRIRNQNWDMSD-VQTJNVASSA-N 442.582 1.271 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CNC(C)=O)CC1 1749677245 SSFZFUMASQVIBT-UHFFFAOYSA-N 449.559 1.936 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749725530 WDZGBDPUAIJYSE-OXJNMPFZSA-N 436.534 1.832 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(N)=O)C1 1749736643 MWDBOHQKKJGGSH-ZDUSSCGKSA-N 439.488 1.060 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(OC)C2)nnc1[C@@]1(OCC)CCOC1 1749739522 FBODBFZWVMYDAU-VQTJNVASSA-N 442.582 1.536 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749745299 YMLJQCSOXJVANY-HRCADAONSA-N 429.612 1.813 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCn1cncn1 1749806207 HQJGXANESPJWND-FQEVSTJZSA-N 436.520 1.988 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 1750382133 BZBURKVPQYQVIA-MRXNPFEDSA-N 449.437 1.016 30 10 IDEE CC(C)c1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750630790 YQDHPGQXRWRCGC-XOMICKMZSA-N 437.504 1.981 30 10 IDEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1752394654 ATDZGICJCKZIBC-HDICACEKSA-N 429.569 1.753 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCS(=O)(=O)C1 1752728497 ITYBFKWXRIFCPK-KGLIPLIRSA-N 430.534 1.761 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1760118174 ZIVUTVWOJMBZQV-GJZGRUSLSA-N 433.509 1.207 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1760184917 ZXAMJHGTRRUUPE-MRXNPFEDSA-N 447.561 1.663 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760189798 LUTBXOCWUVBNLI-LJQANCHMSA-N 429.546 1.317 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1760249345 ZHYWPESEZLRORE-ROUUACIJSA-N 446.502 1.896 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 1760255162 DHFOWVQGGOZJKS-UHFFFAOYSA-N 431.422 1.250 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(COC)cc2)CC1 1760268675 ODUCWWUITZMFAT-UHFFFAOYSA-N 447.543 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCOC[C@@H]2C)CC1 1760269518 KMROLQJNRMCXGG-ICSRJNTNSA-N 444.580 1.206 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1760337886 XRLVNVMDCXTCPF-JKSUJKDBSA-N 445.611 1.007 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760400955 USZTWWLNNUWOMY-JKSUJKDBSA-N 442.486 1.895 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](COC)C1 1760514379 CWFSSGZLGIGDJK-MRXNPFEDSA-N 427.509 1.481 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1760525129 VKCKORILZLIRET-CQSZACIVSA-N 432.475 1.541 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(OCC(N)=O)CC1 1760534150 ZJEQMVJIROHDTO-SFHVURJKSA-N 441.532 1.866 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)COCCO1 1766407102 GYPRWNNDDJGSCQ-OAQYLSRUSA-N 427.509 1.213 30 10 IDEE CO[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1769605588 OVGXUELHCZQJPN-CVEARBPZSA-N 438.458 1.823 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@@H](C)O1 1770676098 DQLCHWHIZGAUKD-LVCYWYKZSA-N 440.548 1.778 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1771056481 ZEPHSHZECCBPTJ-UHFFFAOYSA-N 428.493 1.060 30 10 IDEE COc1nc(C)c(I)c(C)c1C(=O)N1CCN(CCC#N)CC1 1850654770 FNUBCZIFTNTZMI-UHFFFAOYSA-N 428.274 1.983 30 10 IDEE CS(=O)(=O)N[C@H]1CCCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1850807443 NUEMKAVWOUWEOO-SFHVURJKSA-N 441.557 1.863 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)C(=O)C1 1855296051 OXYRDRQVKIKGAL-RTWAWAEBSA-N 429.542 1.700 30 10 IDEE CN(C[C@@H]1CC(=O)N(C(=O)CSC2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1856262316 IQNVUKXBTHSCEE-HNNXBMFYSA-N 428.562 1.520 30 10 IDEE COCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858977506 NOZIHQAUXYTYGA-UHFFFAOYSA-N 430.486 1.165 30 10 IDEE C=CCOc1cn(CCOCCO)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870386853 HGFHRFVRAWHJOD-UHFFFAOYSA-N 431.508 1.883 30 10 IDEE Cc1nc(I)c(NC(=O)CC#N)c(I)n1 1975071543 QTOCFZNBZPCZGL-UHFFFAOYSA-N 427.971 1.846 30 10 IDEE C#CCNC(=O)CNC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2014938706 PHNLCCIHZUANDM-QHCPKHFHSA-N 429.517 1.696 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523799 KRANDGFQQHCQJE-MRXNPFEDSA-N 447.341 1.371 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2243413095 ZOEAQDDCYLQLSG-UHFFFAOYSA-N 427.332 1.184 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H](CN(C)Cc2ccccc2)C(=O)O)C1 2247544380 PEIGYRHZUGQNHE-BISSLNBESA-N 429.517 1.995 30 10 IDEE Cc1cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247851757 JMBXCWBUNCVSIU-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2C[C@@H]21 2255627791 YPFCJPVODWGHMB-IPYPFGDCSA-N 432.330 1.837 30 10 IDEE Cc1c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255629287 TWRQILKNOBBXNQ-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 2255696667 XNGZMUBOONWOBI-CYBMUJFWSA-N 435.334 1.244 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255816068 YOFILHVJOVSJFD-CQSZACIVSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCO1 2255828381 SOJWUOANPBTBTD-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256065639 ZCNDVIGYJODLPP-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267518729 CXISEATZQOZABA-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)O 2269075219 VANSBBRYUAOYSZ-KSSFIOAISA-N 443.309 1.508 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2312855304 KOAOWJZUEMWUBB-JKJDWNRSSA-N 440.346 1.316 30 10 IDEE C[C@@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2315694656 BYQRTFPUZMTXDR-ZYHUDNBSSA-N 447.288 1.971 30 10 IDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1C(=O)O 2328471473 MJTYPXLSOCRQTR-UHFFFAOYSA-N 440.441 1.935 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2337203813 CKMGGGNUOVOCTP-QLFBSQMISA-N 446.357 1.705 30 10 IDEE N#Cc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 28844554 ZAZJYGNOIIDNHO-UHFFFAOYSA-N 443.485 1.802 30 10 IDEE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 59309889 VSKXSKOPMSANRE-ODCIPOBUSA-N 442.505 1.738 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(OC)cc3)n[nH]2)cn1 59886615 QNDZTTOQULYUCU-DJKKODMXSA-N 430.494 1.833 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 219944011 GWNJFRKVFNSQPJ-MRXNPFEDSA-N 427.486 1.426 30 10 IDEE O=C1CC(=NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21 254704174 JYAUCIQOPHOKCN-UHFFFAOYSA-N 444.538 1.985 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)c2cc(C#N)c(SC)nc2O)c1 434342161 PTJHBNWTDNMDMM-UHFFFAOYSA-N 441.473 1.646 30 10 IDEE N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1 442307909 AAKWKTZCNGMPIY-QGZVFWFLSA-N 445.472 1.905 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443337113 WSEQGWYYYVVKHU-QQFBHYJXSA-N 428.489 1.753 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 445732196 GYDASHYOPMZDSS-QGZVFWFLSA-N 435.527 1.698 30 10 IDEE CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 475801424 YJAKZBAFVGBZRA-UHFFFAOYSA-N 437.890 1.997 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C 477184436 FAVKYICZPJNYRS-UHFFFAOYSA-N 439.424 1.889 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 479048735 URCHGGDCFCADAT-YJBOKZPZSA-N 437.479 1.509 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)c1C#N 479612647 CLKIWUWKYWJDDD-UHFFFAOYSA-N 435.532 1.034 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CCO1 490423665 QMVNDSUTZFLROP-LVCYWYKZSA-N 447.488 1.636 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 508823012 APJDEKODZWDJBB-DLBZAZTESA-N 425.555 1.192 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCCO1 514334229 ZRJPGXQIDQYWSJ-MRXNPFEDSA-N 431.945 1.771 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 523040269 IFCSDQXJKPWXLE-QFIPXVFZSA-N 447.539 1.479 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@@](C)(C#N)CC(C)C)c1OC 534596239 PULQCXVMUYLEMD-HXUWFJFHSA-N 439.534 1.783 30 10 IDEE CCc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(OC)cc(C)n3)c2=O)cc1 553805018 VXKXYSYUJWFAEC-UHFFFAOYSA-N 434.521 1.423 30 10 IDEE CCN(CC)CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 568542874 SBJTYMZZZXZOPF-LJQANCHMSA-N 436.578 1.168 30 10 IDEE C=CCNC(=O)Cc1noc([C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)n1 573848738 ZJLHFUCIHCVWEE-KHIPRMOQSA-N 444.491 1.861 30 10 IDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 584185100 VCRHDPDTIOQVTK-UHFFFAOYSA-N 438.532 1.403 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 585827668 GEHGACARJUFSGH-YGQKLEOUSA-N 436.468 1.844 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1sccc1C#CCN 703977564 HWCXXLFEKRMXIP-UHFFFAOYSA-N 445.566 1.800 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccnn3)CC2)c1 726073181 AEQOARIRQVGFOW-CLCOLTQESA-N 443.533 1.644 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CS(=O)(=O)NC(C)(C)C 731729142 XXEHAPMOFZSHTD-AWEZNQCLSA-N 425.507 1.591 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)C[C@@H](C)O1 732446592 SXEOPWLKBFXXAJ-HFKSAQAGSA-N 428.493 1.021 30 10 IDEE COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccc(C#N)cc1 740214447 NEMZLWJQIMBONS-KRWDZBQOSA-N 434.426 1.243 30 10 IDEE COC(=O)[C@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1ccc(C#N)cc1 740239976 ZVWTWYUMBIMIDO-LEWJYISDSA-N 447.447 1.791 30 10 IDEE C[C@@H](CC(=O)Nc1cccc(N2CCOCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742565647 CRSZYNSPPJQWII-HNNXBMFYSA-N 428.514 1.979 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc1 744633106 CEJSCWPRWMJWKX-KRWDZBQOSA-N 436.486 1.333 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)CC1 747981919 ZPXHWMBIBFTSSZ-UHFFFAOYSA-N 440.544 1.861 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 751921608 GJVSCBDETVCAQR-CVEARBPZSA-N 433.578 1.437 30 10 IDEE CCOC(=O)C1=C(CN2CCN(c3cccc(C#N)n3)CC2)NC(=O)N[C@@H]1c1ccco1 760913781 UJVFKWMUIFEOKS-HXUWFJFHSA-N 436.472 1.540 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 767627719 BEHJLUZVLMNBEI-OAHLLOKOSA-N 440.481 1.405 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 767873579 VADTUJMKEKDNOI-SFHVURJKSA-N 440.569 1.958 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(OC)c1 777692752 QVPGQZJSNFBBJF-CYBMUJFWSA-N 441.506 1.846 30 10 IDEE COc1ccc([C@@H](CNC(=O)[C@H](O)c2ccc(C#N)cc2)N2CCOCC2)cc1OC 780864027 VJIDRBNVOWBBGJ-DENIHFKCSA-N 425.485 1.799 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(OCCOC)c3)cc2C1=O 802892565 XWNLYXXRRBJRSE-UHFFFAOYSA-N 444.465 1.613 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)cc1C#N 804120469 OOSDTSTYMNALBD-UHFFFAOYSA-N 449.511 1.168 30 10 IDEE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 804674323 BBUNJVACJJUNQY-OAHLLOKOSA-N 436.534 1.585 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 806268472 HYKOUEGMRNYACC-LJQANCHMSA-N 441.557 1.919 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807935211 CQXJYWQRJMZTGN-KKUMJFAQSA-N 442.536 1.946 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=Nn1cnnc1SCc1ccc(Cl)cc1 814769720 VEGACXJCFVNDKE-UHFFFAOYSA-N 425.927 1.957 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cn1 1084465618 LRTJQLZYCYSZJX-AWEZNQCLSA-N 443.537 1.250 30 10 IDEE CC(C)(c1nnc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)o1)S(C)(=O)=O 1135836720 UNYSYUXGTCIDFU-UHFFFAOYSA-N 431.518 1.569 30 10 IDEE C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1142202058 DALJCIDQLINGAK-NJAFHUGGSA-N 434.537 1.419 30 10 IDEE CS(=O)(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1C(F)(F)F 1166608956 AAELZFMXCFHJJE-DGCLKSJQSA-N 442.412 1.170 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1175931570 FTYZIOXDBZNXLD-MOPGFXCFSA-N 437.585 1.486 30 10 IDEE N#C[C@]12CN(C(=O)NCCc3cnc(SC4CCCC4)nc3)C[C@H]1CS(=O)(=O)C2 1229191035 JSBWCRNBMMVWHL-HNAYVOBHSA-N 435.575 1.634 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)CC2)c1C#N 1251501200 ODMXXKCWSYECIC-NRFANRHFSA-N 438.580 1.801 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3cc(-c4ccc(F)cc4F)on3)C2)c(=O)nc1O 1254909685 MWYKAXPQLFEKAG-UHFFFAOYSA-N 428.355 1.520 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1286341375 DMPPGAZUYBTHOA-QGZVFWFLSA-N 444.561 1.463 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1286365609 ZWNLWRVGPJQQKX-KRWDZBQOSA-N 427.505 1.955 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1286387249 BWDDNGLTGAAMTF-MRXNPFEDSA-N 437.953 1.783 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1286406671 DBUOKYGBCLTKTI-UHFFFAOYSA-N 429.484 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)C2CC2)CC1 1286493141 SRGGEUNYNASCDX-QHCPKHFHSA-N 439.564 1.267 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1286725612 XEGWUFAPFQRXJX-UHFFFAOYSA-N 431.566 1.652 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1286779391 HSBYAHOYCZFIGL-CHWSQXEVSA-N 437.342 1.962 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1288506337 GNKDDUMTGGPLCN-HUUCEWRRSA-N 447.521 1.873 30 10 IDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 1290836974 JCIKUBUNZTVJBV-ROUUACIJSA-N 437.562 1.292 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1291193628 GIYOYUXKIWJDAC-KSFYIVLOSA-N 426.521 1.803 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1291194959 HTISERPWWAPATM-VVBPWWLESA-N 440.552 1.492 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)[C@H](C#N)C1 1294435953 KQVMYESKLAOKKQ-ZRGWGRIASA-N 443.422 1.769 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(=O)OC)s3)CC2)cc1 1298977909 FODXUFCGPPMOGW-UHFFFAOYSA-N 449.554 1.961 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)C[C@H]1O 1299412121 CDJJLVKMYGELDW-HSALFYBXSA-N 438.532 1.517 30 10 IDEE CO[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1299567134 BQEQHNSTMPEUGR-IAGOWNOFSA-N 433.520 1.676 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C)c1cc[nH]n1 1299654438 JPXSLJZMKSLKPK-UONOGXRCSA-N 435.481 1.304 30 10 IDEE CCOC(=O)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1300402140 SLUKOVMBLGMTJE-ZDUSSCGKSA-N 435.424 1.506 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCc1n[nH]c(C)n1 1300641709 JANBPZBGIIQFBS-UHFFFAOYSA-N 436.495 1.962 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)CC=C)CC1 1300690955 TYKKSZRFAGSVSO-UHFFFAOYSA-N 427.574 1.864 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1300770255 QNLPTEHPQLYQKJ-UHFFFAOYSA-N 446.602 1.741 30 10 IDEE C=C(Cl)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1301060128 AMEJBSNMICJZFT-QGZVFWFLSA-N 433.962 1.154 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301148474 OYXHMHPHNUKWAW-OYHNWAKOSA-N 443.552 1.646 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1301217859 GQEDQGNMMIKBBM-OAHLLOKOSA-N 431.566 1.871 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1301298189 ZTTYMTIMGCATRU-KSSFIOAISA-N 441.579 1.202 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1301348994 DPIOINAHDUOUPE-UHFFFAOYSA-N 442.541 1.770 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1301861938 BJOUANVYBSCQGD-OXQOHEQNSA-N 432.525 1.867 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)c1 1302429065 DEYVTTBFYPJYGF-IBGZPJMESA-N 437.497 1.190 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCNC2=O)CC1 1303307539 DMINGPXLWPJXEG-MRXNPFEDSA-N 432.546 1.413 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO1 1312485311 JNWQNGWWNMVSHU-WBVHZDCISA-N 429.477 1.904 30 10 IDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1314844168 CQWLFRUEHJVVEF-UHFFFAOYSA-N 432.550 1.451 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1316186548 JNYOUSNCDIXEBN-INIZCTEOSA-N 442.520 1.964 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1358960343 CDABRZJODJKWLS-LSDHHAIUSA-N 443.558 1.622 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358965703 ZPBOBAVBQDHYPP-QGZVFWFLSA-N 442.570 1.704 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1358978793 UUWTYTBDLYJLJG-NHCUHLMSSA-N 439.585 1.864 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCN(C)C1 1359021737 ZLNLCMNCFDMHAD-QFIPXVFZSA-N 429.521 1.115 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCS2)n1 1359028214 KWVCQEFBGGTOJL-ROUUACIJSA-N 443.577 1.608 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1359084397 GHUCENCPKPVWGJ-CYBMUJFWSA-N 431.356 1.706 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC 1359099462 OCQHTTDUWLTPMB-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nnc(C)s1 1359239995 CPUOQVBIMSLSMR-CQSZACIVSA-N 441.583 1.026 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1359321235 CEGDCSLQYNAQQT-SJORKVTESA-N 449.552 1.857 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC)C1 1359321895 NHHCPXIILYFEGM-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)CC1 1359331690 GFHXWUMCBDEIBM-SFHVURJKSA-N 425.599 1.899 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1)S(C)(=O)=O 1359480671 ATKNKBLQMNJODQ-KGLIPLIRSA-N 428.522 1.251 30 10 IDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1440746431 NNRWABGPRMZITC-HJWRWDBZSA-N 435.484 1.953 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)C1=O 1448522831 VLEIYKIIIHOUMV-FQKPHLNHSA-N 427.423 1.217 30 10 IDEE CC(=O)N1C[C@@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)Oc2ccccc21 1457777542 CMYNJQGMUNGIAH-INIZCTEOSA-N 445.273 1.984 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 1457929600 XFJXRVLWVMCVNY-OALUTQOASA-N 445.545 1.491 30 10 IDEE C#Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 1460890205 NXFURCNSGPNVCY-UHFFFAOYSA-N 427.526 1.685 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2cccnc2N2CCC[C@@H]2C1 1471267493 VFIAHPGGMKIHFO-CRAIPNDOSA-N 425.514 1.631 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)CCO2 1471326128 LQOJNEVJGMHKKO-KQVJYAISSA-N 426.517 1.886 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CNC2(c3ncc(Br)cn3)CCC2)CC1 1473819713 NLPSCFOJPKFBPI-MRXNPFEDSA-N 435.370 1.900 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1477972865 BPKBHEBQFDMXLD-SFHVURJKSA-N 444.536 1.570 30 10 IDEE C#C[C@H](NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1478896391 NHYUNAYMZVXAOZ-DOTOQJQBSA-N 427.320 1.723 30 10 IDEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1494517450 DHOLRBBIICPNDN-UTKZUKDTSA-N 433.532 1.457 30 10 IDEE CCN(C)C(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1501413347 AGOHRORLIDOSTN-UHFFFAOYSA-N 448.531 1.800 30 10 IDEE CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503207863 CNCJPYHNPAKSFK-WMZOPIPTSA-N 426.525 1.933 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c1 1503740359 HGXZAMVQRJFFRJ-UONOGXRCSA-N 433.538 1.035 30 10 IDEE COCC1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1504617430 BCFIIQGZUSYJDB-OAHLLOKOSA-N 433.534 1.946 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@H](C)CC 1507604903 OHOWTKGARMYHCQ-OAHLLOKOSA-N 445.593 1.921 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1507630137 UGYVRIJJXNQJLB-LAUBAEHRSA-N 441.513 1.468 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1507633152 CVTVHIBPFPHTOM-HXUWFJFHSA-N 438.557 1.760 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)C(C)C)CC1 1507721338 NDFRZXKLDYALSY-QFIPXVFZSA-N 435.536 1.083 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCC(=O)N2)CC1 1507735539 YDRPPVQVAHTYHL-HXUWFJFHSA-N 434.544 1.752 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nccc(OC)n2)CC1 1507808788 HUEBTAIVCJCHOE-FXAWDEMLSA-N 443.552 1.921 30 10 IDEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836448 LJFKCFYRQSOJRS-AUSIDOKSSA-N 446.596 1.639 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cscn2)CC1 1508090898 PXXCGGHRXQXWQH-INIZCTEOSA-N 431.566 1.253 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCOC2)C1 1508112742 BXXRVTOENAYAST-KSSFIOAISA-N 438.326 1.968 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1516805393 IZXYKELPXDMWMX-HNNXBMFYSA-N 446.533 1.528 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1516845716 AYPIQLAFFWRZSQ-LJQANCHMSA-N 449.537 1.075 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1518764877 XCJVTTYRSAZYGD-WMLDXEAASA-N 445.474 1.551 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1521136041 AKPNCUCECSFBSP-WOJBJXKFSA-N 425.537 1.230 30 10 IDEE N#CCN1CCC(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1537522696 FXVDNHSJUOPHOV-UHFFFAOYSA-N 432.322 1.624 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1539117755 WNFLSJVMJDEBDS-RHSMWYFYSA-N 430.534 1.487 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539124571 GZGJXZUYMBSLNF-MSOLQXFVSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)C 1539266214 NRUWGIOPKZJITJ-UHFFFAOYSA-N 434.548 1.297 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSCCCO)CC1 1539441454 PLDXGXDAWISXFZ-UHFFFAOYSA-N 443.573 1.587 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O 1539612852 RHXDVFVVBSQMIV-DLBZAZTESA-N 439.582 1.366 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 1540577347 RJHBPHYMDWIZQK-CVEARBPZSA-N 425.482 1.931 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1540873772 JFDXIYZXBDSYLG-RTBURBONSA-N 438.532 1.449 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccccn2)CC1 1540901211 WNTGBUVHURJHPB-UHFFFAOYSA-N 441.561 1.606 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCN(C)C(C)C)CC2)c1C#N 1543001855 FMNRNUAKBFDBNV-UHFFFAOYSA-N 425.585 1.811 30 10 IDEE COC(=O)[C@@H](O)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1545994400 XTQYWLUJZCRXCE-KRWDZBQOSA-N 436.306 1.529 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1555055009 BMGXPDYYGUVXRK-CVEARBPZSA-N 431.518 1.650 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1556586213 PSGZTHDGYSVHCZ-NRFANRHFSA-N 434.493 1.838 30 10 IDEE CCOC(=O)[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H](O)c1cccnc1 1557912471 MEDKXGYWRNEOLV-QZTJIDSGSA-N 448.273 1.876 30 10 IDEE C[C@@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1558676074 LYQWJJPFGGWHTJ-LBPRGKRZSA-N 433.534 1.554 30 10 IDEE C#CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1564067923 VTCLAMXQDWVHKV-UHFFFAOYSA-N 442.541 1.560 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1584437883 WJLKEHASWFSFGF-OPAMFIHVSA-N 428.489 1.664 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)O)c1 1587697139 KLQCIGPJBNWLKD-PXNSSMCTSA-N 441.532 1.829 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1587989759 OJQWJMPWEQKDTL-IBGZPJMESA-N 446.577 1.103 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1593809272 XLUDPOSDRYPJQV-HOCLYGCPSA-N 431.928 1.835 30 10 IDEE C=CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1594661570 VIVCKOXNKPBOIV-HXUWFJFHSA-N 441.598 1.757 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccccc1 1594962970 OIMNWJHDPSEBOL-XLIONFOSSA-N 435.550 1.141 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1595522991 LSFQJXWNYSTDPI-UHFFFAOYSA-N 440.577 1.646 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1596823282 RYCGSWQTXPSLOD-OPYAIIAOSA-N 434.610 1.976 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCN2Cc3ccccc3OCC2=O)ccc1F 1597613694 KMLWBAXOPMPODB-UHFFFAOYSA-N 447.488 1.441 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1603081210 VTBVROHPYKSGTI-ZWKOTPCHSA-N 437.504 1.666 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1618865991 BGBHYLUVVBVMSY-QGZVFWFLSA-N 438.532 1.927 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619583421 GBVLJLLVJNGNLT-KURKYZTESA-N 440.552 1.831 30 10 IDEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(Br)c1 1623138699 IGSBNTDKKBKTOR-HOTGVXAUSA-N 447.264 1.943 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)CC1 1627790471 OTOHSTYREPFECB-QETWGEEDSA-N 442.560 1.933 30 10 IDEE C#C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(Br)cc1 1628543800 ZLGKYAAZZXOXST-XHDPSFHLSA-N 425.308 1.340 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1632657951 APEDFBTWGZCICR-UHFFFAOYSA-N 434.543 1.198 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1633161915 SWCUJFLYSQZZQO-DEOSSOPVSA-N 432.480 1.318 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1634352775 IVKRNVOIZJIFGL-QMTMVMCOSA-N 426.539 1.356 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)[C@@H]3CCN(C)C3)nnc12 1641740887 OIIGFFCDZMRDMR-OAHLLOKOSA-N 426.546 1.875 30 10 IDEE COc1cccc(CC(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1 1644445763 QJEQWFSPKPXTKN-UHFFFAOYSA-N 431.492 1.682 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)CC1 1650846072 IUEUOIIQODTQPJ-UHFFFAOYSA-N 443.525 1.778 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CCO)CCOCC(F)(F)F)CC1 1652480855 TUVRXLZUWXJIJO-GOSISDBHSA-N 446.445 1.408 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CC2)CC(=O)C=CO3)CC1 1654945191 WNDAIQVLZBXDCI-OAQYLSRUSA-N 426.492 1.872 30 10 IDEE CN(CCN(C)S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(S(N)(=O)=O)cc1 1662186386 CVLGGVYEPFWTJV-UHFFFAOYSA-N 444.485 1.241 30 10 IDEE C=CCc1cc(CNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC 1666799240 CSFUZBRKYLPFRX-AWEZNQCLSA-N 432.564 1.133 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 1669828761 IKFGTZQXVHLDKV-UHFFFAOYSA-N 434.743 1.158 30 10 IDEE CCNC(=O)COc1ccc(CNC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1OC 1674769711 FDTPFFYGDVCLJO-UHFFFAOYSA-N 432.477 1.198 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NCc3cnc4n3CCOC4)c(C#N)c2N)cc1 1676665757 URZXQPJKYRYCKS-UHFFFAOYSA-N 434.504 1.793 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C12CCC2 1682731436 AVGJAYWMSKQLBX-KHYOSLBOSA-N 438.550 1.498 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 1684363096 LIDRKKFFHBTTCM-PZJWPPBQSA-N 448.575 1.385 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CO1 1685567662 FTFSYINEUMEIOL-CQSZACIVSA-N 432.481 1.806 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)n1 1686399364 PYDWMWGSCCIDHF-UHFFFAOYSA-N 431.518 1.130 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1689885763 VBYIINQSXSDYGF-UHFFFAOYSA-N 430.516 1.964 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689920726 IFDNLSDWPOQVAH-SFHVURJKSA-N 427.505 1.717 30 10 IDEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)NCC)CC1 1689936879 HOSIRBWZTUAFBU-UHFFFAOYSA-N 433.560 1.953 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1690003796 YHJRFWHCGWTCJH-HSZRJFAPSA-N 437.548 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccsc1 1690008605 LXDURXMRVLRTDO-QFIPXVFZSA-N 444.524 1.963 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690422006 ABOWVFIZGBWOOB-QGZVFWFLSA-N 438.532 1.703 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690665370 AZAHLHCMJYXPJP-SFHVURJKSA-N 440.548 1.414 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690669028 RBCNQWBJQVYRFK-IBGZPJMESA-N 436.520 1.745 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccco2)N(C)C)C1 1690700772 XOWRWPWCHVRFER-KSZLIROESA-N 449.577 1.857 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC#N)CC1 1694606615 BECLUUOAUKKCBL-UHFFFAOYSA-N 428.541 1.899 30 10 IDEE CCc1nnc(N(C)CC(=O)Nc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1694627822 XIVLWSVAJGFEHE-MRCUWXFGSA-N 437.504 1.750 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCN1CCC[C@H]1CO 1694733807 IBWPJGJVPZWUIY-FQEVSTJZSA-N 438.580 1.671 30 10 IDEE CCCNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695426248 CUWDWAZYUDEVLB-UHFFFAOYSA-N 445.531 1.850 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1697784832 CNWMEKOBAGJQAF-INIZCTEOSA-N 426.456 1.633 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1698223916 WUNUWMOBZNSGRG-GOSISDBHSA-N 433.534 1.493 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C(C)C)N1CCOCC1 1698231269 WKQHOAATHBMHSQ-MUGJNUQGSA-N 434.585 1.955 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1698488663 HAEWTKCMDIKSTM-UZLBHIALSA-N 444.492 1.605 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1705510166 UGPJBFYJMWXDFB-MRXNPFEDSA-N 429.546 1.819 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705533233 WAJBBVUJADAIKM-OAHLLOKOSA-N 449.606 1.334 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705563053 PUFHPBLUFYFCPM-MJGOQNOKSA-N 430.530 1.759 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705567083 TXHILVVNKLXOKD-GUDVDZBRSA-N 437.610 1.529 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1705583183 RYMMMXRHWNMUBH-ICSRJNTNSA-N 443.548 1.695 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705613835 QKSXRSTVLVCJHQ-GOSISDBHSA-N 431.562 1.930 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705653064 XRIQSSYAQGXKFH-UHFFFAOYSA-N 437.529 1.415 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705665757 CRPYWBIQJDXMNZ-ICSRJNTNSA-N 448.637 1.560 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccco2)C1 1705934318 IMCIYVSJWLSRQR-HOCLYGCPSA-N 435.506 1.001 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1708518071 XLYFSSILJNSCCP-MRXNPFEDSA-N 427.509 1.879 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)CCOC 1708522819 HGPLUKRUTIYPDA-ZHRRBRCNSA-N 444.584 1.819 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1712183409 OTLFGOOHPSNFHY-HRAATJIYSA-N 428.468 1.430 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)C1 1712877676 RUMOYAYPANCTIU-IFXJQAMLSA-N 434.497 1.517 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1722363581 ANOZZFILPLPFAB-GOSISDBHSA-N 426.502 1.235 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722375045 JAAVVKLVIPBELX-KRWDZBQOSA-N 427.530 1.308 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1722384118 QDFXGJFRKSKTQZ-UHFFFAOYSA-N 433.965 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1722442717 AEWDTCGDBWAETG-NRFANRHFSA-N 448.527 1.588 30 10 IDEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722530634 GNTWFAREDHOTPJ-QGZVFWFLSA-N 444.923 1.338 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)CC1)C(C)C 1722663493 YTYFPGGDHNNAOY-LJQANCHMSA-N 443.596 1.539 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)CC 1727010074 UNASFQPFQQNYRN-MRXNPFEDSA-N 431.566 1.820 30 10 IDEE CCCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1=O 1728156545 YJFYCCOXWLZZIO-OAHLLOKOSA-N 446.533 1.142 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCn2ccnc2C)CCOC1 1728817984 OSADCCBZRDFSIJ-RXVVDRJESA-N 429.525 1.644 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729377644 KJKUZOVHRVMAQB-CZIZESTLSA-N 443.552 1.813 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1729399728 VBDFNGAGUKTSSK-GOSISDBHSA-N 445.545 1.577 30 10 IDEE COC(=O)N1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CC1 1729786272 BCDXTMGYCZIMCD-UHFFFAOYSA-N 429.525 1.619 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)Cc1ccccc1 1740613130 UZUIFNKECAQOCG-UHFFFAOYSA-N 429.546 1.475 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(OC)CCOC1 1740632752 ODMHXMCKLGKNES-LJQANCHMSA-N 432.322 1.924 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)CC1 1740696572 XYUKDHBAVMZCMW-HNNXBMFYSA-N 433.450 1.844 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1740751955 QHMNNLNBCPZMRG-UYAOXDASSA-N 434.585 1.267 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OCC)CCOC1 1740799032 FNNVIXLSABVOTF-SVMVAKDDSA-N 433.553 1.580 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1740988977 VWHCCOKQPCHGOZ-QGZVFWFLSA-N 428.518 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2c(cccc2OC)C1 1740989822 AHUHETWVJADDFU-UHFFFAOYSA-N 440.529 1.907 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](C)C1 1740991990 KIYXYLANQVYIMP-CVEARBPZSA-N 430.596 1.407 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1741002105 GAZYARHSLUOTCO-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE C=CCSCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1741004456 AVCLEZQYBSRWHF-HXUWFJFHSA-N 438.598 1.699 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCc2ccco2)CCOC1 1741124466 FJXGNNAYVDKXHV-KKSFZXQISA-N 430.509 1.824 30 10 IDEE CN1C[C@](C)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1=O 1748045753 KKYBLNALWKNXAZ-HSZRJFAPSA-N 436.564 1.938 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748882897 KSNGQLHWAAOZGW-GOSISDBHSA-N 433.491 1.625 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1748948297 LHCXQIGHCMSYQS-GOSISDBHSA-N 440.552 1.003 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCO[C@@H]2CCOC2)CC1 1749009451 JDOVFFJQURFGIB-VQTJNVASSA-N 445.564 1.334 30 10 IDEE C=C(Br)Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1749112151 CLVGPTKIKSQRNX-ROUUACIJSA-N 440.342 1.555 30 10 IDEE COCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1750037929 DEMHGGLODHZACE-GOSISDBHSA-N 447.499 1.597 30 10 IDEE COCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1750041017 OOLZZXRQPRKLIZ-LJQANCHMSA-N 440.504 1.203 30 10 IDEE CC(C)(C)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750458516 VQQXEQVOSKZZNH-NRASPWIFSA-N 444.536 1.560 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1751277238 RTBHOWSRZYEZOF-HNNXBMFYSA-N 436.520 1.970 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760184389 WPEYIONBJBVIDK-IXDOHACOSA-N 442.607 1.243 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1760188731 MCRZZTCFHOYIQX-IBGZPJMESA-N 436.541 1.913 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1760277765 SPMSVUWYHZQOSF-UHFFFAOYSA-N 444.561 1.790 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760511877 MUVRUUFJCPIJOJ-UHFFFAOYSA-N 436.564 1.693 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760527825 JWQHRHZHVYYJJD-INIZCTEOSA-N 444.923 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc21 1760548486 HVGCPRXPLPDBGI-CQSZACIVSA-N 439.563 1.183 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760557149 BGTCXHNAOINOHE-FQEVSTJZSA-N 437.566 1.643 30 10 IDEE CC(C)Cc1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1761012800 NZLMOLOGDFWGRU-GOSISDBHSA-N 425.493 1.756 30 10 IDEE CC(C)N(C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1761161098 GBAKURQHVQIJSO-UHFFFAOYSA-N 434.552 1.945 30 10 IDEE CC(C)N(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761169034 MKEDSDUDAGCBPF-UHFFFAOYSA-N 438.536 1.389 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1763950702 CRCJXZHGOKZXSU-WIYYLYMNSA-N 445.545 1.372 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1769098678 FSWDSLSTVWJBRV-UHFFFAOYSA-N 431.497 1.144 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC1 1769279065 CNYOWXLQSYVHIQ-UHFFFAOYSA-N 437.548 1.644 30 10 IDEE COCc1nocc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1769390501 RKIXGPMJJBSYHY-IFXJQAMLSA-N 434.522 1.493 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1770051927 QINLRDMKJIFKRM-LPHOPBHVSA-N 442.520 1.481 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770730662 BZANLXAEXILZPX-PCYKQNFTSA-N 441.492 1.899 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1772564424 YWXVFCODMXVYIT-MSOLQXFVSA-N 440.614 1.354 30 10 IDEE CCC[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1772860251 XKVFASNMPJMQFP-PBHICJAKSA-N 436.538 1.749 30 10 IDEE COc1ccc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(OC)n1 1851665992 YWYXIUNKIRGWEJ-GOSISDBHSA-N 427.457 1.907 30 10 IDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1896112037 YUXKENHRLITFGB-HUUCEWRRSA-N 425.526 1.944 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678816 SETRSRJEWGWCPN-AWEZNQCLSA-N 446.313 1.055 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243384301 NERQPLJAFXRCBX-ZDUSSCGKSA-N 426.344 1.663 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(CNC(=O)OC(C)(C)C)COC2)C1 2247549346 MNQGSZOEMINHDH-UHFFFAOYSA-N 437.537 1.951 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 2255625141 NFALNNVYOGILLB-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2255658334 BRYMLZRVYIXNIY-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255880017 YOGDRGYFSIKVAX-UHFFFAOYSA-N 432.326 1.697 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995531 IXEIITKYWGKEGB-LSDHHAIUSA-N 446.357 1.862 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267124093 HKDPBXHAUCLRDR-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267221635 WVLJWSYOKRPITO-JOCHJYFZSA-N 447.341 1.483 30 10 IDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)sc1B1OC(C)(C)C(C)(C)O1 2267706283 VEBOOTRTQSUWEZ-CYBMUJFWSA-N 429.369 1.739 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1 2296610038 SGARDXNBRHPBLO-LJQANCHMSA-N 428.464 1.920 30 10 IDEE COc1nc(N(CCO)CCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317501651 MXGDGYDICBDHIX-UHFFFAOYSA-N 437.346 1.713 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1C 2362572919 AOOKQPWVEPVGIM-IBGZPJMESA-N 449.364 1.878 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCC(C(=O)OC)CC3)cc2C1=O 22067516 KGBPNSQCXMZGLR-ZDUSSCGKSA-N 428.441 1.426 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@H]1c1ccncc1 72461215 VXCPNXQNDYUGAR-QAPCUYQASA-N 444.451 1.924 30 10 IDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1F 102744078 CYLFXSRXESBYLJ-LCPUNJGISA-N 441.459 1.983 30 10 IDEE COC(=O)[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 428567516 BRXYMNBLXZZHSZ-RNODOKPDSA-N 433.461 1.569 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4snc(C)c4C#N)CC3)C2)n(C)n1 460665460 ZCDZFNJTYZORGI-INIZCTEOSA-N 428.566 1.866 30 10 IDEE COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 475301487 IWCFAURJXQZBAF-UHFFFAOYSA-N 431.445 1.631 30 10 IDEE N#Cc1ccc(OC2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 507858116 DDPIGQPDQHYOMK-UHFFFAOYSA-N 442.541 1.408 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(CC(F)(F)F)C(=O)C2)CC1 512792399 KNCCGGSKKTZKTK-CQSZACIVSA-N 429.468 1.163 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 522673410 PKVMSMHEDRDIJO-UHFFFAOYSA-N 435.484 1.837 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1Cl 548697739 GUYUQQATIKRKHZ-UHFFFAOYSA-N 425.854 1.359 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 568102136 VHPQXPPGKFECCQ-OAQYLSRUSA-N 433.512 1.370 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccs3)n2CC)CC1 680516902 GYGZXQLDJCBDGW-UHFFFAOYSA-N 434.591 1.565 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C)c(F)c1 727416008 CIHSVQSNEOSAGM-UHFFFAOYSA-N 427.457 1.205 30 10 IDEE C#CCN(C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)[C@@H]1CCS(=O)(=O)C1 729333925 CNIYPTJRFYEPDV-GOSISDBHSA-N 429.498 1.620 30 10 IDEE CCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn3ccccc23)c1=O 729672089 WMHJDYPKOJFCRW-UHFFFAOYSA-N 430.493 1.504 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C2CCN(CCC(=O)N(C)C)CC2)C1=O 731485811 BERQKIGQELBPEF-GOSISDBHSA-N 445.589 1.697 30 10 IDEE N#C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CCN1C1CC1 732647847 LEEARIQOUUQAAD-FGZHOGPDSA-N 432.528 1.311 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCc3ccnc(C#N)c3)c2)CC1 746978245 ZKXQUIJUROHOIN-UHFFFAOYSA-N 428.470 1.163 30 10 IDEE C#CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 747574157 OKCGFVJOMLBOSO-UHFFFAOYSA-N 426.903 1.907 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cc(=O)c(O)cn1C 750013445 MWKOOSNEVGFDAE-UHFFFAOYSA-N 436.262 1.819 30 10 IDEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)CSCC#N)c1F 761162208 CIWQPTZUEBPNOV-UHFFFAOYSA-N 425.257 1.436 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767747184 WBRIWGCWILTSNC-AVOUXACISA-N 437.493 1.392 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)C1 802143039 KNJKRDGMBTVLHA-WLBHNISZSA-N 447.536 1.945 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 809890092 TUKQSMWBUWEBFW-AWEZNQCLSA-N 427.527 1.007 30 10 IDEE COc1ccc(Br)cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 916197485 UXOYMKPNVBUVBY-HNNXBMFYSA-N 446.326 1.887 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1CCS(=O)(=O)C1 918755150 TYSBRNOVBABJOV-INIZCTEOSA-N 436.511 1.021 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](S(C)(=O)=O)C3)C2)C1 1138059661 RVKCAKDMBIBQMU-FZTQNYJHSA-N 425.551 1.809 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)ccc21 1143720420 SIYCSUMZLKBDOP-QFIPXVFZSA-N 445.523 1.934 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)C2)c1 1149463170 XSAXTOUCGFPYGB-HXUWFJFHSA-N 440.525 1.952 30 10 IDEE N#C[C@]12CN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1157885735 VJISRZAZYISALP-BLLLJJGKSA-N 428.919 1.043 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(=O)NC(C)C)C1 1168188010 VSDNZXBYIOITMB-FUHWJXTLSA-N 448.589 1.903 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C[C@H]2CCCOC2)C(=O)OC)s1 1171270698 KBYWPHYILSZSNF-UKRRQHHQSA-N 430.548 1.229 30 10 IDEE CC(C)(C)OC(=O)[C@]1(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOC1 1171805194 PZSBPSIAKLYCKB-CVDCTZTESA-N 446.523 1.625 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)s1 1179538540 YSIQSBYPFQPHBR-NSHDSACASA-N 437.474 1.996 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1286495998 KPBIJXUWTDFLAM-SJLPKXTDSA-N 449.602 1.833 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1286522430 KBFMTTAUEPIFRW-DBVUQKKJSA-N 437.635 1.610 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286621670 HFXZFDNFSQRMTK-OAHLLOKOSA-N 449.943 1.575 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1286717885 ONCCRZSSBALQNG-UHFFFAOYSA-N 431.360 1.560 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286792816 JAJVTQQYPGTUED-QZTJIDSGSA-N 440.548 1.841 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1286923955 CBHIYGHKJNQWJQ-IBGZPJMESA-N 435.532 1.695 30 10 IDEE CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291349023 DEASMRBOKOJPGS-CYBMUJFWSA-N 447.565 1.859 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@H]1O 1299412399 LSVYKDZWINUDFT-AUOLZGSSSA-N 443.529 1.088 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300372332 PWNXOJDQNKVODY-LJQANCHMSA-N 425.537 1.998 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCCC1 1300432074 BBVLDFXALASHGF-UHFFFAOYSA-N 428.924 1.977 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300489334 MHLXRIGTVZZMAY-DOTOQJQBSA-N 446.529 1.378 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300497374 YLTFILMHSKQDPM-SJORKVTESA-N 448.520 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnnn1CC1CC1 1300564548 XOZDDTVMNLDUSB-UHFFFAOYSA-N 431.460 1.761 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(NC(C)=O)nc2)CC1 1300681874 BXWPLODNFJIRDF-QGZVFWFLSA-N 441.536 1.159 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(=O)NC)c2)CC1 1300695894 OMYGRZRKMNMTLG-UHFFFAOYSA-N 432.532 1.036 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1300706520 OXLJWAVKHGLZRT-NRFANRHFSA-N 441.624 1.524 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN(CC)CC)CC1 1300719579 HIZJEBLYQMIDEM-UHFFFAOYSA-N 425.581 1.981 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1300768084 FIRAVBABMGHSOK-UHFFFAOYSA-N 434.562 1.606 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1300876095 RPIBMKJBBMJQFJ-OAGGEKHMSA-N 427.571 1.485 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300990842 YZGDDRIVOYSHRF-OPAMFIHVSA-N 446.552 1.579 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1301043764 CXSYPMSOAAUGDA-INIZCTEOSA-N 447.005 1.142 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301137650 UOSYSDCPSROQHF-UHFFFAOYSA-N 447.584 1.192 30 10 IDEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301252965 UBQZNXJFAXVLOC-UHFFFAOYSA-N 446.596 1.509 30 10 IDEE COC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1301414009 JXJOBGYDVZTSOO-LNMJFAINSA-N 431.493 1.755 30 10 IDEE C=CCn1c(C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1301434304 IPQMVXMBUOCIMR-HNNXBMFYSA-N 425.555 1.681 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c([N+](=O)[O-])c1 1302586493 SDYYSQBSMYCAOG-UHFFFAOYSA-N 432.433 1.971 30 10 IDEE COC[C@@]1(C(=O)OC)CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1307958194 RZYQQDFKIPQQSD-LAUBAEHRSA-N 434.562 1.501 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 1312093885 SDORDBQGUGJLEY-QGZVFWFLSA-N 438.619 1.862 30 10 IDEE C#CCN1CCC(NC(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1313359598 YEKYLWHSDITSCL-KRWDZBQOSA-N 428.537 1.671 30 10 IDEE CN(C)C(=O)CCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314636469 WRTNWJSPBORVSX-SFHVURJKSA-N 439.520 1.923 30 10 IDEE COCCCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1316034689 CQTCEVKWWPXMGX-HNNXBMFYSA-N 444.517 1.816 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCNc2ccccn2)c1 1316530257 GWHRDTVPUFVOJO-UHFFFAOYSA-N 437.529 1.949 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)C1 1323783677 QIKHHHBIGSUOGT-GOSISDBHSA-N 431.514 1.986 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCCC 1358886198 ZPNFFFPQVRUROY-HNNXBMFYSA-N 431.566 1.612 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cncn1 1358993206 ICTQKTHPHDOIDM-UHFFFAOYSA-N 430.520 1.207 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1359037442 JODPJATVGFXNOK-JOCHJYFZSA-N 437.592 1.376 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359222427 IKRABQUAZQTTTI-QWHCGFSZSA-N 441.476 1.249 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359298301 UXVVJBDYCKWTCF-UHFFFAOYSA-N 426.525 1.121 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1359473511 DFEZWFYRQRQZGC-MAUKXSAKSA-N 426.477 1.245 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359516378 YKQAPNXFTKBLMJ-BBWFWOEESA-N 436.582 1.509 30 10 IDEE Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cnn1CC(C)C 1360953361 RKIVLISJJMTCRN-CABCVRRESA-N 436.586 1.693 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H](C#N)C3CCCC3)ccc2F)CC1 1438858655 HFTYYFICASMHSP-SFHVURJKSA-N 436.509 1.491 30 10 IDEE COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1455532601 RULMEBGGGSXHKG-BLVKFPJESA-N 436.461 1.992 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OC 1463601190 ZJPIQFZKGJGDLA-GFCCVEGCSA-N 436.280 1.258 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2N2CCOCC2)cc1 1468196917 YLHWLWCGRXVUAM-UHFFFAOYSA-N 427.526 1.407 30 10 IDEE COc1ccc(CN(CCO)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1471526520 PPNSPXTVXZHZJL-UHFFFAOYSA-N 431.514 1.535 30 10 IDEE Cc1cc(O)nc(N2CC[C@H](NC(=O)COc3cccc(Br)c3C#N)C2)n1 1471856972 COFCLQFSNMNCKY-LBPRGKRZSA-N 432.278 1.899 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2sccc2C#N)C1=O 1473581475 ACJXMOVZMPJUFA-OAHLLOKOSA-N 449.514 1.544 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)C1 1475667506 MCWDSEDJIGGJGM-FATZIPQQSA-N 434.381 1.838 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(OC)cc1 1505081122 DDQYCPFBXBXPFM-DBVUQKKJSA-N 443.504 1.818 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1507611136 JSIGJDXWVLCAGK-UHFFFAOYSA-N 428.518 1.179 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507632980 QZTJXIXPSLUBOW-HUUCEWRRSA-N 436.563 1.007 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1507658889 QWSNDKYGVPUBOK-HXUWFJFHSA-N 448.575 1.414 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2COCCO2)CC1 1507735916 AWQSDVMYKQOSHV-GOSISDBHSA-N 439.516 1.335 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507863349 CYULWZKEJACZLK-INIZCTEOSA-N 435.960 1.116 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507914393 JEKYEVDEVZVFJI-QGZVFWFLSA-N 445.568 1.406 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)N2CCOCC2)C1 1508132619 WYGLKZZTFLVNBD-FQEVSTJZSA-N 441.532 1.806 30 10 IDEE C#CCO[C@@H](C)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1529817942 PLHBTISLWQISGX-HNNXBMFYSA-N 443.363 1.405 30 10 IDEE C=CCN(CCOC)C(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1538845387 NBFLNKKEEGOOIE-OAQYLSRUSA-N 428.526 1.995 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(CC)nn(C)c1OC 1539176990 XKYVUUNNEYXKSH-UHFFFAOYSA-N 449.563 1.874 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1539180269 YTEXCNPEGIZJPR-CYBMUJFWSA-N 440.472 1.908 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1539215634 HLGRTJITXQTBET-HNNXBMFYSA-N 432.550 1.062 30 10 IDEE C=C(C)COCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1539758263 FHVZWPXVTITAIU-VQIMIIECSA-N 428.555 1.146 30 10 IDEE C=CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539971661 NWGQWSPJIMKSDH-UHFFFAOYSA-N 430.553 1.094 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC(=O)N2)C1 1540897087 ZSMIOWJESMRIOY-APWZRJJASA-N 427.505 1.926 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1540898063 YZPDGYBEABGIML-BGYRXZFFSA-N 437.566 1.024 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1541664907 QTCXGYXCQHBZAP-JTSKRJEESA-N 440.552 1.947 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1545706834 YZLUYWJSHLCYHB-LZQZEXGQSA-N 440.504 1.595 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1554371036 FIQKYDKPPCNPKZ-ROUUACIJSA-N 435.532 1.836 30 10 IDEE CNC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1554485938 HZGITJHXBAIDGY-UHFFFAOYSA-N 444.543 1.907 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1555280291 FUZGDNKJIPHSSW-MSOLQXFVSA-N 442.495 1.914 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC#N)CC1 1555816902 VYMDHTHJDDVFIM-UHFFFAOYSA-N 427.534 1.886 30 10 IDEE C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1561686967 QARHODWJCGLOPX-QGZVFWFLSA-N 426.560 1.440 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 1564547698 UOMXHUNMBWXMGT-GOSISDBHSA-N 449.471 1.889 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)n1 1565316731 AEDSNDZYQJWKCV-UHFFFAOYSA-N 442.524 1.631 30 10 IDEE CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1567248871 BXXKFMVAEAJXHA-MOPGFXCFSA-N 430.553 1.006 30 10 IDEE CCOC(=O)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1585600071 LBUWTOJZTOGDHD-ZIAGYGMSSA-N 440.378 1.764 30 10 IDEE Cn1cc(I)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1586483176 ZMFSPWWSDTWZSA-LLVKDONJSA-N 435.225 1.888 30 10 IDEE CN(C)CC#CCNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1587078698 GBABOVOSDHFUBB-SFHVURJKSA-N 441.557 1.404 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c(=O)nc1O 1587590578 FLUDXZOCRJTBEM-INIZCTEOSA-N 430.770 1.430 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCOCC1 1587662361 NBRPJKHCLBXGMM-INIZCTEOSA-N 430.578 1.838 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1587834239 OEGDRFQBXOIKKJ-LJQANCHMSA-N 427.505 1.860 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1588049706 KWPXQDZQSZKPLV-HOCLYGCPSA-N 445.511 1.666 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(CC)CC1 1588171003 QOKFUCHGKMCYJY-HKBOAZHASA-N 428.581 1.101 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1588233240 DXSSFQQIHNPOPI-RTBURBONSA-N 431.562 1.430 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1589097798 YANCYLLXKHCYOW-UHFFFAOYSA-N 427.574 1.725 30 10 IDEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1589125767 QJZMAHZKANHFBK-QFIPXVFZSA-N 449.621 1.990 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1593722378 PQFBVEXALRZXKB-UHFFFAOYSA-N 434.518 1.544 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1595218103 HCKABTQTKZPFRE-SFHVURJKSA-N 433.534 1.860 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)C)C1 1595577295 OCHGRZSNJWGFQA-HNNXBMFYSA-N 432.550 1.433 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1595804968 JLVOYYDBDXPPQS-QGZVFWFLSA-N 447.609 1.999 30 10 IDEE CCc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1614032661 LWZQXLXKGXHVMF-UHFFFAOYSA-N 433.516 1.792 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCN(c2nnc(C(F)(F)F)s2)CC1 1617317057 MZMVNBHEBYFFOK-UHFFFAOYSA-N 435.431 1.979 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCOCC1 1617909070 ZATJNJZKYKPZDD-FQEVSTJZSA-N 437.548 1.850 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1618540641 SQPTYIYBQXDWTM-XXADUYMVSA-N 441.492 1.191 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1620174896 WTHSWUXEPMYDJJ-INIZCTEOSA-N 448.549 1.451 30 10 IDEE N#Cc1ccnc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)c1 1627179247 GWOWOIQGRNYBLF-HNNXBMFYSA-N 432.221 1.871 30 10 IDEE C=CCC[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)C(=O)OCC 1627752664 SIAMKUMPNHAFJU-CYBMUJFWSA-N 426.520 1.910 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1COC(=O)NC1CCCC1)c1cc[nH]n1 1629245746 PNTFVHMBELYDMN-INIZCTEOSA-N 449.508 1.743 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1629976278 DYXKFDQPIBUAAY-UHFFFAOYSA-N 426.498 1.840 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc(Cl)c(I)c2)c(=O)nc1O 1630030568 NEKRUMFITHMHLC-UHFFFAOYSA-N 444.616 1.509 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1636288084 DSCUEIRAWYJVTE-FQEVSTJZSA-N 427.482 1.639 30 10 IDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C(=O)OC 1637694038 RAPFPZQBRXNLCV-INIZCTEOSA-N 430.885 1.561 30 10 IDEE COC(=O)c1cn(C2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)nn1 1638245575 LVAXFPJGGJJGTB-UHFFFAOYSA-N 445.520 1.879 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)cc1 1640178430 GMDTVTJIKCZVJU-OAQYLSRUSA-N 440.481 1.247 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(Cc4nn[nH]n4)CC3)C2)C1 1651238543 HXVMNSQFXCNFJM-ZGOJQLDESA-N 429.525 1.768 30 10 IDEE COC(=O)c1cnc([C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)s1 1655187492 XFEHLPLJGMLRJH-IRXDYDNUSA-N 433.578 1.801 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1)C1CCOCC1 1684034844 FJUHEPQHTMHTHO-GOSISDBHSA-N 445.516 1.608 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)NC[C@@H](O)COc1ccc(I)cc1 1684426100 TXNMYYYWTQWGHQ-LSDHHAIUSA-N 446.285 1.759 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689927841 DFLHWVBWWSWIQD-HOJAQTOUSA-N 441.580 1.022 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1689977748 BVTGKJJNTNCYCI-ZNMIVQPWSA-N 445.524 1.106 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1689990418 OCDSTQIHEYHHMV-IAGOWNOFSA-N 440.591 1.163 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)n1 1690109506 UJMHBGATOJDSMO-UHFFFAOYSA-N 446.515 1.388 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2csc(C)n2)CC1 1690110229 DAPPOJJECHGZDC-UHFFFAOYSA-N 436.545 1.688 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1690169759 NNJMNLJLRHQBIG-UHFFFAOYSA-N 433.545 1.638 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1690235917 GFVOJOWLYHCNIB-BBWFWOEESA-N 441.598 1.657 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690507565 PLHGAQWENWSXLF-INIZCTEOSA-N 425.555 1.225 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690669847 QJTBIPWTQHQVFY-UHFFFAOYSA-N 431.585 1.228 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(C)(=O)=O)C1 1690705820 DUFSXIGCLBXRLI-AWEZNQCLSA-N 426.489 1.973 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)N(C)C)C1 1690706889 LVAUXVSXGLZGQF-LJQANCHMSA-N 433.578 1.850 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690760768 AIUOWLKLAAZTBA-CZIZESTLSA-N 429.525 1.375 30 10 IDEE CC(C)(C)c1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)on1 1691119522 OVTKQHDXXUVBIQ-UHFFFAOYSA-N 435.488 1.999 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1697048235 AMJCAJGVWWIBGY-INIZCTEOSA-N 429.502 1.393 30 10 IDEE COCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cs1 1697829361 HCECLLOJUHZBNY-NEPJUHHUSA-N 427.556 1.135 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1698078548 HEPFOMSPXLIOGC-HOCLYGCPSA-N 431.566 1.867 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1705494499 AVCURIZOVSRXNC-VQIMIIECSA-N 447.561 1.920 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1705524622 PWCQXNAPVLHLCG-MRXNPFEDSA-N 432.550 1.334 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560064 IBXOSQXRTMKNFA-QZTJIDSGSA-N 435.594 1.821 30 10 IDEE C#CCN(c1nnc(C)n1CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1705561706 SKRNZFCDWIFYHP-KRWDZBQOSA-N 447.527 1.878 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705571719 GQLNQLKGXOWISH-RBUKOAKNSA-N 437.610 1.875 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1705589873 WVJADTBILJJMMV-AZUAARDMSA-N 442.589 1.654 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC)nc2OC)CC1 1705650821 ZHISTYBVCNZZCH-UHFFFAOYSA-N 438.532 1.657 30 10 IDEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705685675 GVQIZQCKRZDFFT-CYBMUJFWSA-N 435.330 1.986 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1705692626 OLLPWXKNFRODFA-KBXCAEBGSA-N 442.358 1.894 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705708076 XBULRKCOFXMAOI-LZNRXBQRSA-N 433.553 1.578 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705899320 PAAZRLKYXLDATO-INIZCTEOSA-N 436.520 1.822 30 10 IDEE C=CCOc1ccc(Cn2c(N3CC[C@@H](C(N)=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1705911090 YJIXROZWNGGYDP-JPYJTQIMSA-N 441.532 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(C(C)(C)C)CC1 1705932643 XIAUPYNDADICIC-UHFFFAOYSA-N 433.582 1.647 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1Cc1ccc(C#N)o1 1708765386 DBHSQJZROJFNRL-KBXCAEBGSA-N 439.520 1.766 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CCN1S(C)(=O)=O 1712846489 GAAVEFUUXUWHDI-INIZCTEOSA-N 432.550 1.449 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1722297169 YCAHNCNYTFOAOB-JKSUJKDBSA-N 427.571 1.132 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCn2ccnc2C)c1 1722308649 CMIQBIZSUXABLJ-UHFFFAOYSA-N 441.499 1.996 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1722363652 GWMODTRSYKOQKG-CRAIPNDOSA-N 428.942 1.309 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1722366899 SVRTWMWUDPIHAB-HXUWFJFHSA-N 440.573 1.153 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccc(C)cc2)CC1 1722435492 OPNINQMTYMBTTN-UHFFFAOYSA-N 431.544 1.777 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722465894 WGLFEJZDTVXLKC-INIZCTEOSA-N 438.550 1.986 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722501339 OQEVFTMBGGLVEN-VDNWNZSNSA-N 433.553 1.613 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722608818 MKUFTRPUNPSWLN-MRXNPFEDSA-N 440.614 1.938 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722627537 XKHGHVZOBJTTTH-UHFFFAOYSA-N 442.564 1.952 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722628797 HDRIQCQBQYYUPF-IBGZPJMESA-N 446.596 1.683 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1722641277 ZKIYDTSNBAXRQX-MSOLQXFVSA-N 446.577 1.748 30 10 IDEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1726702621 IKSNEVVYTVDIBN-IWHJNQCMSA-N 429.525 1.060 30 10 IDEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1727848598 JGKMXEFGKXCABI-ARJAWSKDSA-N 449.559 1.764 30 10 IDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)c1ccc(C)s1 1729022731 FYPWWEOLGRLYDC-QGZVFWFLSA-N 442.542 1.605 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729610430 KPHBBWVDZLFONW-MRXNPFEDSA-N 442.955 1.942 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)C)CC1 1729740518 ADGGBSWYCJSAMT-UHFFFAOYSA-N 431.566 1.286 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1730999035 ODNGNHKQDMWDOI-KRWDZBQOSA-N 431.518 1.267 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1731012109 BXBUXAMJNDCYQT-DOTOQJQBSA-N 434.497 1.341 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1740548906 AVYIJXISFYSULQ-HNNXBMFYSA-N 446.508 1.574 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1740608301 NWYLPRFGOCJOFZ-AWEZNQCLSA-N 440.495 1.843 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740624520 JMLFJPQTMPJLIJ-QZTJIDSGSA-N 432.546 1.561 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1740672058 WCZJZEQFQPJQLC-GOSISDBHSA-N 435.525 1.452 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1740672239 ZPLDIPGELBGXLL-HOTGVXAUSA-N 439.582 1.943 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740791468 HWCZIUDASHSXFZ-UHFFFAOYSA-N 440.552 1.072 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)CC1 1740833559 SQSXDAPNIYHTOV-GFCCVEGCSA-N 425.584 1.753 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1740857277 JEBDUGUWPMTQKI-UHFFFAOYSA-N 428.541 1.898 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740870776 VTXPJIZNFNYHRQ-INIZCTEOSA-N 431.518 1.956 30 10 IDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740884183 SBAFKWLDRZXTKW-UHFFFAOYSA-N 430.534 1.491 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740956294 OKJWOYPBYQQQFH-GOSISDBHSA-N 442.539 1.935 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1740959422 VBWONFODYGYFHL-HOTGVXAUSA-N 444.536 1.949 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1740961233 PSVOZQFWSOSYEA-HXUWFJFHSA-N 438.576 1.638 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC2(C)C)C1 1740981916 RDIYXKXLSLXPHL-ZACQAIPSSA-N 439.582 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cccnn2)CC1 1740989173 CUKFZESFUGYJIB-UHFFFAOYSA-N 439.545 1.663 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1741003462 VHVWPQGHIUMJSY-CQSZACIVSA-N 429.612 1.450 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1741288231 ABAOJHFJZNAQPJ-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1748819080 KFPCZOASDCVBFG-ROUUACIJSA-N 431.587 1.786 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC(F)(F)F 1748835869 LCBNNFVQMZXKGO-UHFFFAOYSA-N 430.394 1.920 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1748867523 IMONTDHUTUTWFJ-QPPBQGQZSA-N 443.592 1.750 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1748929478 KBXPKLFTRBSVJV-DAWZGUTISA-N 439.582 1.276 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1748929728 OPLKJVVGWMGZCT-GOSISDBHSA-N 429.546 1.841 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)COC)CC1 1749003297 DVZVBZSRAYLRKG-JTSKRJEESA-N 433.553 1.179 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749097534 CJNYSWNAEADYME-OCCSQVGLSA-N 437.342 1.633 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749207559 MYXLRNUDKOJJCJ-WMZHIEFXSA-N 446.596 1.638 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCc3ccccc32)CC1 1749287158 YCMATXRBDLNFBS-IIBYNOLFSA-N 431.562 1.879 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C)C1CC1 1749519648 ONWCFTWCRWODIQ-ZWKOTPCHSA-N 438.598 1.106 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@H](C(N)=O)C1 1749659177 WSYZUEJWBPGOSY-KGLIPLIRSA-N 428.562 1.745 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1749756184 UKRUICOYPLRRED-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)C1 1750491407 ZAWDLPOECUUGTD-CVEARBPZSA-N 432.525 1.646 30 10 IDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1760180925 NCJPUBZVMZSEFK-OALUTQOASA-N 443.573 1.583 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1760241917 OISDUHLVQHLBRK-IBGZPJMESA-N 447.536 1.800 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCC1 1760250064 BSOPKCDHVUMLJA-UHFFFAOYSA-N 434.566 1.193 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(CC)noc2C)CC1 1760251518 BUDUTPCIQPSFHG-UHFFFAOYSA-N 427.553 1.859 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760316725 WHXCRNHHDKHVGW-MOPGFXCFSA-N 441.598 1.445 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760433239 CPIWUPBLRSTQMU-GOSISDBHSA-N 447.561 1.656 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1760516630 RTGOLQTVUWEPAC-JTQLQIEISA-N 437.353 1.090 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1760566368 SATBFYWCQJLBGB-IRXDYDNUSA-N 444.623 1.730 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCSC1 1770043915 JYDZBPUWKANWOO-WRWLIDTKSA-N 436.582 1.047 30 10 IDEE C#C[C@@H]1COCCN1C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772511058 IRBNWQRMIOHYQF-HUUCEWRRSA-N 434.459 1.514 30 10 IDEE CC(C)(C)N1C[C@@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1=O 1851234448 IGAYVWOSNNGUGN-AZUAARDMSA-N 429.517 1.828 30 10 IDEE N#CC1(c2ccccc2)CCN([C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2=O)CC1 1853773531 NQMTTWDAPLRUAX-PKOBYXMFSA-N 429.542 1.496 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1853782977 SUBYFHQIKNUXGB-UHFFFAOYSA-N 447.900 1.822 30 10 IDEE Cc1cc(C)n(CC(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)n1 1856379698 COQGKOYMULRAIQ-KRWDZBQOSA-N 426.546 1.378 30 10 IDEE N#Cc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866590380 YXFBULJJIYRXKS-PXNSSMCTSA-N 441.509 1.755 30 10 IDEE Cc1nc(C2=C(N)N(C[C@@H](c3ccc(O)cc3)N(C)C)CC2=O)sc1C(=O)N(C)C 1872795909 DIQWZNDORCEFOH-HNNXBMFYSA-N 429.546 1.674 30 10 IDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1890805219 XKGFCNOOSOQOGH-OAQYLSRUSA-N 448.589 1.650 30 10 IDEE CCCn1c(C(=O)NCC#CCN(C)Cc2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 1891357554 HRLMGAXBUUHDTM-UHFFFAOYSA-N 435.528 1.314 30 10 IDEE N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1891648566 SHOKDGIHQSAFPM-UHFFFAOYSA-N 440.481 1.839 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1910963759 XFPIFGYNLAKRGL-PMPSAXMXSA-N 438.525 1.718 30 10 IDEE N#Cc1ccc(I)c(S(N)(=O)=O)c1I 2055360390 RRZAQRPHMSGKJM-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE C[C@@H](CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2243678814 OIKNTBIPQCUPDE-NSHDSACASA-N 426.348 1.891 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248404590 NJSYQVRQULGUOF-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251301726 ITDQVURVBNZLPK-MARXPDLDSA-N 446.375 1.618 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC12CC(NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255604171 KDEIGFNKUUNDQY-BJJGWYPJSA-N 432.330 1.885 30 10 IDEE Cc1nc(S(=O)(=O)N(CCCN)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255801148 ZAFLFFPAXDIQGW-UHFFFAOYSA-N 448.398 1.567 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2255872968 HKMHPMGHMKVAOB-QWHCGFSZSA-N 427.232 1.312 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(CNC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2255949913 CVTUXDQAYPDLJY-UHFFFAOYSA-N 448.272 1.285 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2256624169 KMFAYRNNLJBSSE-MRXNPFEDSA-N 438.305 1.627 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256928995 YOAOZKVVOZTADP-OAHLLOKOSA-N 427.266 1.176 30 10 IDEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267146042 KJAPJJKYUSHDFD-LSDHHAIUSA-N 446.357 1.862 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2282599640 QBHAQJNFUOAIKC-IBGZPJMESA-N 449.364 1.878 30 10 IDEE COC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284414564 RNRKUQICWQTPLW-SECBINFHSA-N 425.721 1.079 30 10 IDEE COCCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)c(O)c(OC)c1 2331273771 RXDGHIBTHVMWBY-UHFFFAOYSA-N 444.311 1.403 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)NCc3ccccc3)o2)c1=O 101351146 NCMXSFYWUXRJJP-UHFFFAOYSA-N 427.486 1.413 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)CC2)n1 443044811 GQQCTADEONXCDC-UHFFFAOYSA-N 430.881 1.298 30 10 IDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)c2)CC1 443330154 JLKBIADTZPWYSD-UHFFFAOYSA-N 447.561 1.007 30 10 IDEE Cc1nsc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)c1C#N 461188010 CSEYRURVUKCANY-HLLBOEOZSA-N 434.591 1.698 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 469209844 KEVCJRAJOADWPW-KRWDZBQOSA-N 447.542 1.727 30 10 IDEE C[C@@H]1[C@@H](C(F)(F)F)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 470956847 DXVDMDQLOZJCQT-ZBFHGGJFSA-N 444.479 1.664 30 10 IDEE CC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 478373591 HCPNFDHHUBYYDZ-HMFYCAOWSA-N 426.473 1.560 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 480118280 PPSCGQLJDCEZQS-RDTXWAMCSA-N 444.538 1.765 30 10 IDEE Cn1c(=O)oc2cc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 481622537 IEWDWBOTSIWSEL-UHFFFAOYSA-N 441.469 1.542 30 10 IDEE N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1nccc2ccccc12 483210388 LSYNZMXSXYQLJP-IBGZPJMESA-N 434.477 1.845 30 10 IDEE CN1C(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)C12CCCCC2 485991577 QTWFBXURELCXTP-GOSISDBHSA-N 437.500 1.372 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1C#N 489083499 YWWTZVLQWGKFIY-UHFFFAOYSA-N 434.543 1.915 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@@H]1CCCO1 505104492 WNRJXZNTBZKAHB-LBPRGKRZSA-N 435.958 1.609 30 10 IDEE CC(C)N(CCCNC(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)S(C)(=O)=O 507803644 AZDFTFDJCWFNRF-UHFFFAOYSA-N 436.578 1.578 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 508497873 NYECFSGISOZALP-HKUYNNGSSA-N 447.561 1.800 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 508505450 NNPUIXRMYGPHOB-KRWDZBQOSA-N 428.518 1.637 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 508834387 UIECMNLXCUMVOX-AZUAARDMSA-N 441.532 1.977 30 10 IDEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CC[C@H](C(=O)OC)C1 508955825 KEXCOFOURYKBCI-KRWDZBQOSA-N 445.545 1.915 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 512417798 GTPWAJBUUGAKPI-MSOLQXFVSA-N 449.515 1.248 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 521673807 YUYWBLDCYBUDAY-HNNXBMFYSA-N 445.491 1.492 30 10 IDEE CSC[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 521945774 JJTJGTGESCQGLA-KSZLIROESA-N 441.557 1.509 30 10 IDEE C=C(C)CN1CCC(NC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)CC1 524669113 OSQQJQLMIJSILY-UHFFFAOYSA-N 435.594 1.467 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 541288072 FQWBYIXEYBCIPK-UHFFFAOYSA-N 425.539 1.372 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@H]2CCCCO2)cc1 570989871 RNKDPITZGCMZBW-PZJWPPBQSA-N 438.532 1.819 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)c(F)c1 573581629 LTMQNZZMHJERSJ-FXAWDEMLSA-N 442.495 1.882 30 10 IDEE COc1cccc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)c1 577309710 LWWGPSWXPXOVBJ-QGZVFWFLSA-N 428.514 1.488 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCNC(=O)C[C@H]3c3ccccc3)CC2)nc1 587663840 CGFXUHCVZSSOSR-FQEVSTJZSA-N 446.511 1.128 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CC(=O)NCC(=O)OC)cc3)cc2C1=O 603760620 CZQVZECBZMBVSK-UHFFFAOYSA-N 435.436 1.553 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1-c1ccccc1C#N 604002384 SBPGGFVTHILSPW-UHFFFAOYSA-N 432.530 1.742 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H]3C(=O)NC)nnc12 613786743 IOQLNPVMXAVDEL-HNNXBMFYSA-N 426.502 1.059 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 731862202 ADEHDZYKUNSSMP-BIBRTQAFSA-N 440.500 1.337 30 10 IDEE N#CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 731958143 LBXKFBLZFBFLAY-UHFFFAOYSA-N 444.469 1.573 30 10 IDEE O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCCN/C(O)=C1\N=CC=CC1=O 735116326 HRDKXQJXWKVFEP-XTQSDGFTSA-N 434.452 1.851 30 10 IDEE C=CCOCCCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 742550577 AAMJZPYRNODVLN-UHFFFAOYSA-N 444.575 1.214 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746281813 GSLXHMUMTKDZDM-BLRPHQBRSA-N 426.473 1.850 30 10 IDEE COc1ccc(COC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C#N 747064294 MGEDOEFWKTYZCQ-UHFFFAOYSA-N 443.525 1.925 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 771203747 JJSWBPBZAIWNQH-KRWDZBQOSA-N 437.315 1.824 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)C1=O 771581984 IDERLFZMAJJMCC-MWTRTKDXSA-N 440.500 1.928 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)CCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 774059348 UZRCGSAZLCSEFJ-MRXNPFEDSA-N 428.532 1.151 30 10 IDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 780752274 UPINQZXEPPFSRO-UHFFFAOYSA-N 438.897 1.274 30 10 IDEE CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 781517951 JMEYBLVIDNNSMP-AWEZNQCLSA-N 449.305 1.763 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)C1 787312859 AUWDNCUPMQEXRY-SWARKGPGSA-N 428.533 1.554 30 10 IDEE C=CC[C@]1(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 790342404 OYIFHPDGDMQVKS-HSZRJFAPSA-N 444.532 1.864 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 792139547 ZUTKZNGJTSBXLJ-LJQANCHMSA-N 446.523 1.328 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 795071581 CQGITOLGIAOJEA-AWEZNQCLSA-N 446.344 1.635 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(C[C@@H]2CCCCN2S(C)(=O)=O)C1=O 795183976 RKEJYPOXQSAIEO-UONOGXRCSA-N 444.604 1.630 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2cccnc2OC)C1=O 809944586 YWMTWHWHRXMTGV-INIZCTEOSA-N 441.513 1.499 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)C1 916887763 YLKLPUIDNQODRX-ZWKOTPCHSA-N 444.513 1.717 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 919034439 RUJFUZMLLPAVTK-CYBMUJFWSA-N 433.408 1.181 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)c(OC)c1 1084421650 CAEBALUWYSDRQQ-UHFFFAOYSA-N 442.505 1.971 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)N3CCc4ccccc4C3)n[nH]2)cn1 1084508974 JKLJUYHVRQILPO-UHFFFAOYSA-N 440.533 1.771 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)Nc2c(C)c(C#N)nn2-c2cccnc2)CC1 1129156742 RRRAKTBIDGGGDD-UHFFFAOYSA-N 440.504 1.724 30 10 IDEE COC(=O)CCN1CC[C@H](N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1168940091 DLWYPHGWXUOZQQ-ZWKOTPCHSA-N 449.349 1.795 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C[C@H](O)COc2ccccc2C#N)C1 1175069276 CODFWIGTLFNZES-KRWDZBQOSA-N 430.505 1.109 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1181103417 KQDNHOHEXLEYSU-PBHICJAKSA-N 429.420 1.256 30 10 IDEE Cc1nc(N2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2)n[nH]1 1194503205 BSOQBVQLPVEQRE-UHFFFAOYSA-N 429.275 1.397 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)N3CCO[C@@H](C#N)C3)c2)nn1 1233822725 XRJBYAJMMZIRPJ-SFHVURJKSA-N 441.492 1.726 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286298740 OHGIAUGGDYGSCI-XWSJACJDSA-N 429.544 1.976 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCNS(=O)(=O)CC 1286368775 QKQZGZIWQYWDJD-UHFFFAOYSA-N 432.369 1.778 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286424810 MBUYVDBMNKUTOK-LJQANCHMSA-N 433.921 1.006 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1286426042 HPGVCSJSMRIGNG-UHFFFAOYSA-N 445.527 1.616 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCN(C)CCOC)CC1 1286490393 SWZYGGVUGAGMCQ-UHFFFAOYSA-N 442.539 1.628 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NCC2CC2)CC1 1286491027 BGIPPODSXGUBJI-UHFFFAOYSA-N 448.571 1.669 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)(C)C)CC1 1286646205 NHGNQKGRZJDCJT-MRXNPFEDSA-N 427.571 1.583 30 10 IDEE C=CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286690689 VCQDIKIZYXQEFM-HTAPYJJXSA-N 446.552 1.759 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(N)=O)CC1 1286710290 SFXWCSXNLMRUTL-UHFFFAOYSA-N 430.509 1.690 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1286722617 NKWURIBKDNFRKK-UHFFFAOYSA-N 433.472 1.837 30 10 IDEE C=CCn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1286777834 NCGDUNJBRFASFQ-QFIPXVFZSA-N 443.552 1.940 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1286783752 KRTLCTPOAIDFJT-CRAIPNDOSA-N 437.508 1.084 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1286807060 IVGCFZOOGOUUOP-MJGOQNOKSA-N 431.562 1.870 30 10 IDEE Cc1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290804129 OQWFLKVGNVHZKQ-CILBIJLJSA-N 426.452 1.350 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1 1291832343 MHKRFISVGMWZIZ-JZJYNLBNSA-N 444.579 1.500 30 10 IDEE C[C@H](CC(=O)Nc1c[nH]c(C(=O)N2CCCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1296057694 CNFWTDDPBACRNG-CYBMUJFWSA-N 429.502 1.707 30 10 IDEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1298868506 FKHMLOHEDDCGIR-UHFFFAOYSA-N 432.410 1.887 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1300363000 BNNSSXQSQOIRJB-IRXDYDNUSA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1300478936 HCDUYCFCKHQSAC-OAGGEKHMSA-N 425.530 1.181 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)c1ccccc1 1300642820 UXXTXYHBAIJBKX-HKUYNNGSSA-N 432.546 1.936 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2COCCO2)CC1 1300685145 IAQPDSFPIBXZNC-INIZCTEOSA-N 449.353 1.596 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nnc(CC)s2)CC1 1300685470 OQPPZFVQIMMJHX-OAQYLSRUSA-N 445.593 1.536 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300897146 OKNVKKAPSXGKDW-ZRCGQRJVSA-N 447.580 1.970 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301221580 LMXVGDXAEHWLAO-FGTMMUONSA-N 425.599 1.692 30 10 IDEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1301331442 KLRUBODJHKEGML-HXUWFJFHSA-N 436.509 1.701 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1301362544 FUMHYSSWTRAGOC-GOEBONIOSA-N 435.575 1.918 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2n[nH]c(C)n2)C1 1301543408 LGLPMTSWUIEGDI-UWJYYQICSA-N 431.541 1.769 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](CC#N)C(F)(F)F)cc1 1303847684 KGEXNIZFIZRCFQ-VNQPRFMTSA-N 433.452 1.895 30 10 IDEE C=CCn1cc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)cc2n1 1304006807 IFSCHZPRFBJFMZ-UHFFFAOYSA-N 439.497 1.595 30 10 IDEE Cc1c(C)c(S(=O)(=O)NN/C=N/CCC[C@H](N)C(=O)O)c(C)c2c1OC(C)(C)CC2 1307291737 UEUUNGMXSQSSGG-INIZCTEOSA-N 440.566 1.719 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1313894945 DZHBQSMHGKZYIP-RTBURBONSA-N 428.562 1.924 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1314894887 HVYZEQOOQZVKCV-SJKOYZFVSA-N 436.289 1.767 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 1358414023 FGVLQXOAIJTPOG-OAHLLOKOSA-N 425.507 1.455 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(C)S(=O)(=O)CC 1358947211 VQZBRKJMLQHVFU-UHFFFAOYSA-N 443.533 1.335 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCSC1 1359021070 ANWBTHLUXYLBAP-OAQYLSRUSA-N 430.530 1.670 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359037599 PKPRAUXFWZKRTK-JOCHJYFZSA-N 437.592 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N(CC)CC)CC1 1359043163 JKMRZEZIGUBXEY-GOSISDBHSA-N 425.581 1.980 30 10 IDEE C=CCCOCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OCC)CCOC1 1359229465 JWFLCIPTTLEPMS-OAQYLSRUSA-N 435.525 1.602 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1359240143 GXVVYCLBNFCOFL-INIZCTEOSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1359293865 BYBGEAPAGQCNGD-HUUCEWRRSA-N 449.602 1.981 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1359432636 SMIPLDIXMMHCHU-FDDCHVKYSA-N 435.532 1.648 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1360471266 DZROSUYNDPADNT-ZDUSSCGKSA-N 426.930 1.793 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1360480619 DEDSZDSYEOKDAX-RDJZCZTQSA-N 428.518 1.902 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c1 1441891971 WLOHVHVTTCJECG-JOCHJYFZSA-N 431.464 1.698 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O 1455189216 DWZAVTBDMGWCAC-UFOSLELVSA-N 447.289 1.735 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)CCOC1 1460460771 HXKCELLQXZLASI-FDDCHVKYSA-N 444.532 1.280 30 10 IDEE C=CCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1464916800 KHDIEPFGRMPPBH-KBAYOESNSA-N 441.594 1.423 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)C1 1469727743 BJDQDDPMJPZPAX-RRFJBIMHSA-N 432.481 1.789 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN(C(=O)NCCn3cnc(C#N)n3)CC2)CO1 1470101939 FRKQVWSNQMFWAP-OAHLLOKOSA-N 433.513 1.255 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c(=O)n1CCO 1473079736 XINIZWNBTDINPH-UHFFFAOYSA-N 425.272 1.148 30 10 IDEE C=CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@H](C)COC 1473636806 JTGHNWBRSIMAMF-OAHLLOKOSA-N 445.969 1.822 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2)nc1 1478308531 QQCKVFRCIOMBLG-HLIPFELVSA-N 433.534 1.275 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1 1479312947 KRNHIUUCSYPQPF-QGZVFWFLSA-N 449.533 1.017 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCSC1 1503108115 CMTDZULKNSYXQD-CVEARBPZSA-N 428.566 1.944 30 10 IDEE CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1503818083 UESZHOPNOXHYKQ-HXUWFJFHSA-N 449.559 1.867 30 10 IDEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1507554522 SLJHCSZOKSRJAY-INIZCTEOSA-N 428.924 1.977 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1507630437 YTVSIIYCOBAELJ-SFHVURJKSA-N 441.557 1.406 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC 1507702279 SNRXDCHUXSNXDA-QGZVFWFLSA-N 435.525 1.500 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccccc2F)CC1 1507726122 FKVBRDOTEGHXGA-GOSISDBHSA-N 440.523 1.762 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1508040534 YVLPLKQWFPOVAO-RYLXDESZSA-N 438.594 1.760 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@H]2C)C1 1508117423 UFGLXGILJMBKSF-TXTKFYIRSA-N 449.596 1.821 30 10 IDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1517733336 HZXGQZYGFDZHBT-INIZCTEOSA-N 433.534 1.777 30 10 IDEE COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(OC)c1 1532276924 XIKZOPWYSXRSSW-SFHVURJKSA-N 431.470 1.531 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)CCOC3)C1=O 1535596997 BDSYBFLGKMOKBL-UHFFFAOYSA-N 449.485 1.691 30 10 IDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539190578 NDHMESGJYNQWTQ-GOSISDBHSA-N 431.562 1.423 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539215824 JTYVOJPOJPUKBC-AZUAARDMSA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1539220522 KFXHMOITYYBCTR-QGZVFWFLSA-N 433.534 1.745 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1539260642 SIALSMPUCCVZNW-LJQANCHMSA-N 436.491 1.326 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1540073229 OXVWNNQGZLLYTH-LJQANCHMSA-N 447.561 1.411 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1540073986 VZNAZICRVQYOCZ-GOSISDBHSA-N 433.578 1.791 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540866049 BAINHDIGMKKPRD-WBMJQRKESA-N 432.887 1.755 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CC(N)=O 1540900143 MHFNFWBSNCBKKM-GFCCVEGCSA-N 426.930 1.294 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cnnn2)cc1C 1542469246 WZYJYWCNSDCLDD-FQEVSTJZSA-N 425.472 1.993 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 1542895045 YBVCOUHYIDBUQN-UHFFFAOYSA-N 435.315 1.471 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)O 1555745303 DKNZNDQOOGWUKO-GUYCJALGSA-N 428.493 1.308 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C[C@@H]3CCCCN3C2=O)s1 1557629789 DQKFNIUBZDJJBL-AWEZNQCLSA-N 426.564 1.161 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1558124028 XWZSGWBCYDBIFG-LHSJRXKWSA-N 447.488 1.655 30 10 IDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 1558938798 UZKXNZGLMXECGK-HXUWFJFHSA-N 439.534 1.489 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)C(C)(C)C 1560156532 QKAGXDLGAVJWNX-UHFFFAOYSA-N 437.562 1.270 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)nn1 1561675061 AQKUIUGCAYKJSG-UHFFFAOYSA-N 428.474 1.599 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1564590116 PDOUYJWKBFJSFF-ZTENYAIWSA-N 426.539 1.402 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1570032570 WCQLAZAPAPUBLA-SFHVURJKSA-N 441.575 1.465 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCOC 1587567218 DEBNKXAOJUZDKQ-YCRPNKLZSA-N 448.593 1.792 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1588065024 RQZQRDLEOUIFQQ-FUHWJXTLSA-N 442.545 1.178 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(CC)nn(C)c2CC)CC1 1588811259 DMEWPSYXHCWMMU-SFHVURJKSA-N 425.581 1.834 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1589048259 ZYZBJNFOFQMDBW-KRWDZBQOSA-N 429.594 1.676 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1589171392 DOKYGYZUODFWCN-FCHUYYIVSA-N 441.557 1.819 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1589494597 NBDMHTIPVQDIJX-MLHJIOFPSA-N 434.541 1.197 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1594497810 MMJVGLQJBJFDGT-OAHLLOKOSA-N 437.566 1.861 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595556685 YYGNEBMERZFJEB-SUMWQHHRSA-N 430.459 1.164 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595799300 YOQUGXGUNLWAHH-CVEARBPZSA-N 446.595 1.134 30 10 IDEE C=CC[C@H]1CCN1C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1603352895 IHIYEQCHVYKZPI-JSGCOSHPSA-N 433.452 1.795 30 10 IDEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2cc(-c3ccccn3)nn2)c1 1616125972 ASXNSOQREQEXNX-WTGUMLROSA-N 433.497 1.906 30 10 IDEE CN1CCN(C(=O)N2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)CC1 1616256120 FNFOHKMJSQZUEH-UHFFFAOYSA-N 437.500 1.855 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCC(c3nccc(N4CCOCC4)n3)CC2)c1 1620459453 QRHCVTCIVJYGDB-UHFFFAOYSA-N 441.557 1.838 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 1628679914 DHFZWLSNXFJJTK-UHFFFAOYSA-N 434.436 1.787 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)c1 1631442582 CMXHTYISVDFFLX-HNNXBMFYSA-N 443.547 1.213 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OCC)c2cccc(O)c2)s1 1635959589 KXTPOEZCYUXNAD-GOSISDBHSA-N 438.527 1.881 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636692236 WEYKCSRZPYFRLD-BPRAZLKKSA-N 433.530 1.289 30 10 IDEE CO[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)NO)cc2)N(C(=O)OCc2ccccc2)C1 1639590958 GHBJIENBGAITNL-RTBURBONSA-N 427.457 1.848 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NS(=O)(=O)NC)cc2)s1 1639705271 AFECKROQAQEXQN-UHFFFAOYSA-N 444.560 1.270 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H](O)C1 1643930633 FMIYCBLTDCOZSS-CVEARBPZSA-N 441.481 1.223 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 1645415875 SRUQXSIEVMLONY-LNEUUDGLSA-N 448.317 1.702 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2c[nH]c3ncc(Br)cc23)c1=O 1651693364 AIWSQJZPVXEPGU-UHFFFAOYSA-N 446.261 1.065 30 10 IDEE COC(=O)[C@@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]2C[C@H]21 1652415365 SOMXHNWDKCDFSI-HCXYKTFWSA-N 431.514 1.273 30 10 IDEE C=CCC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1654999103 PLWAZHYNBVAUTQ-QGZVFWFLSA-N 436.534 1.858 30 10 IDEE C#CC1(O)CCN(C(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)CC1 1671628419 QJUKHVAKBSZEMA-UHFFFAOYSA-N 435.322 1.720 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)CC2)c1 1674055697 RSVYMZSBGRZHIJ-HXUWFJFHSA-N 425.533 1.195 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1690045983 UYIQVSPOGUOCKJ-IBGZPJMESA-N 441.557 1.591 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1690087265 QERAQFAAOIZIPY-IYBDPMFKSA-N 439.582 1.943 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H]1C(C)C 1690622383 OBIFAFOSFIZPOS-RCCFBDPRSA-N 426.583 1.880 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690669943 STVNWARLTFPYDA-OAHLLOKOSA-N 432.916 1.223 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1F)C1CC1 1690671530 YEQUAUQAVASQJE-INIZCTEOSA-N 447.536 1.791 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690672034 GEQQTBGYLRQPJL-MJGOQNOKSA-N 445.612 1.158 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1C(C)(C)C 1690732313 ZFMBEUUVLASAQN-UHFFFAOYSA-N 436.582 1.795 30 10 IDEE CC(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690979950 SAXJHGPPQVRYOI-QGZVFWFLSA-N 443.502 1.850 30 10 IDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1691579276 CCFDNUYRUWGQFP-NHCUHLMSSA-N 435.532 1.902 30 10 IDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)OC 1694387533 HZMHQWQBXDFQDM-QGZVFWFLSA-N 437.504 1.762 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1696940147 GFPRLUPXZGCMSC-ROUUACIJSA-N 435.532 1.694 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1705475641 UGOKODPHADOLNK-OAHLLOKOSA-N 438.513 1.835 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCC(O)CC1 1705540913 RJXXJZDHUCZCJH-UHFFFAOYSA-N 444.967 1.778 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705565375 HCKIGHZQHOXWBH-MRXNPFEDSA-N 443.558 1.369 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705587597 BFAXMCDIBLAIDQ-SRYPRDQNSA-N 428.533 1.803 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CCCC2)CC1 1705631888 CYCMLPDCFZVOII-IBGZPJMESA-N 436.564 1.413 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCC[C@H]2C)CC1 1705648739 XKBNIMYPBKBHER-UYAOXDASSA-N 428.581 1.970 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1705679238 GSFNGMOYMCEWIU-UHFFFAOYSA-N 439.358 1.870 30 10 IDEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705759775 UUMGERWBIRXKHD-MRXNPFEDSA-N 444.923 1.373 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1705829869 DPZAOPZPPOWIHS-IBGZPJMESA-N 447.561 1.898 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1705900707 MVLWKKDSFLQQDN-SJORKVTESA-N 440.552 1.559 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1706672075 XHOIMIDOQWWIHN-VOQZNFBZSA-N 433.553 1.989 30 10 IDEE Cn1cccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1711266287 IKWFQOAYJWNSCK-OAHLLOKOSA-N 443.533 1.562 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCC[C@@H]2NC(=O)NC2=O)c1 1722306066 XCSVUAMFPPYHSK-KRWDZBQOSA-N 437.504 1.446 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2CC)c1 1722309146 JWAFXDUMEUREMG-UXHICEINSA-N 449.559 1.770 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1722324616 VGTPUSBXYHZLRU-OAHLLOKOSA-N 435.529 1.162 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722369086 VLPJOXPVILGDHE-ODZFXCKXSA-N 433.578 1.853 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722450974 DVLXBSVLYOOGQY-XHSDSOJGSA-N 427.596 1.260 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1722475612 WCIAVGSKTUBTCC-RHSMWYFYSA-N 449.499 1.946 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722701654 YZKATKXNBIORDU-MBSDFSHPSA-N 425.533 1.750 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1722861076 BCRCEGUUFZDLOM-HZPDHXFCSA-N 439.511 1.466 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccoc2)n1CCN/C(O)=C1\N=CC=CC1=O 1723564418 DHKKNAVAFDZINR-FBMGVBCBSA-N 427.465 1.172 30 10 IDEE CCc1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1727495277 JZRSCCBUGKYROI-VXPUYCOJSA-N 429.525 1.250 30 10 IDEE CCc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1727608044 YXXIWQIHVHMONC-FMQUCBEESA-N 440.483 1.228 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS(=O)(=O)C1 1729033853 OPRBBSCLGKOXGC-AWEZNQCLSA-N 446.533 1.174 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1729748838 FTXPXVYWSBYRDN-HXUWFJFHSA-N 438.532 1.928 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1730943308 IHVDOVBENHOPBJ-OSPWBOOKSA-N 444.536 1.621 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCCCCO)cc1 1731184908 LAYBFFLJNVNXJW-MJGOQNOKSA-N 440.504 1.826 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740587555 NYPBBYGZYOQBPG-SJORKVTESA-N 446.577 1.892 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCC2)CC1 1740839890 QDBZSGOATYFLEG-GOSISDBHSA-N 438.598 1.109 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740843768 PPQFPFZZVVBDMT-HRCADAONSA-N 438.598 1.548 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1740932706 UMPWKJAUKZSXMP-CVEARBPZSA-N 427.596 1.543 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740953844 SMBCKBHSHYEZIB-AOMKIAJQSA-N 427.505 1.640 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1741813265 SUJMDRILULDGQE-FUHWJXTLSA-N 448.531 1.888 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1741813267 SUJMDRILULDGQE-WMZOPIPTSA-N 448.531 1.888 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1744757352 UGSUCUUXSYPCJJ-AXNLMSORSA-N 435.488 1.186 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748798557 JNIOQNAUHVGKGA-GOSISDBHSA-N 431.562 1.967 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748815443 QMCYOTXTPFODQO-ZIFCJYIRSA-N 435.594 1.282 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1748824863 KZXCPUHFOCKDLI-NRFANRHFSA-N 434.544 1.390 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCCC 1748843020 XWLHCJFZJPVGFG-UHFFFAOYSA-N 431.544 1.997 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1748959794 ZQJGPBRDYXYTPV-MRXNPFEDSA-N 433.582 1.274 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749368074 AINBMMWCNOJCHI-HZPDHXFCSA-N 436.582 1.339 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1749575579 UUJABPOMTONRTO-HNNXBMFYSA-N 428.580 1.183 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749669399 KEASLHKLFFAHPR-HZPDHXFCSA-N 434.541 1.530 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749670036 NWIOVVUIBZKBGR-DLBZAZTESA-N 426.525 1.186 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(CC)CC2)C1 1749692898 CSEPDERMPHMBLI-RBUKOAKNSA-N 433.601 1.224 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCN2CCCS2(=O)=O)CCO1 1750386109 HGTUSBJYSMRCFG-AWEZNQCLSA-N 436.925 1.363 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCc1ccco1 1750647262 JNADQLCHTADBPY-MRXNPFEDSA-N 449.519 1.688 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1=O 1750837057 VXPDIYCUWXKAKW-UHFFFAOYSA-N 439.564 1.700 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCc2ccccc21 1751231810 GZHPRXVBWASCAM-CGTJXYLNSA-N 444.561 1.737 30 10 IDEE C#CCN(c1nnc(C)n1CC1(CN2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760180733 KGEKBZDXTQHDSA-HXUWFJFHSA-N 449.621 1.496 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760188565 BWEJQTMLFOIFKN-HXUWFJFHSA-N 442.589 1.377 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1760191851 OFEPDMUULUWDOK-LJQANCHMSA-N 443.573 1.216 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccccc1F 1760193686 MJKSUUWRQNAFKV-UHFFFAOYSA-N 445.458 1.567 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1760245967 PHPFGAUQSFSJCF-LJQANCHMSA-N 427.530 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCO2)CC1 1760272138 ZZVKJMCGUPJXBZ-SFHVURJKSA-N 428.562 1.779 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760287588 XXFZCSUKYMDOFR-SJLPKXTDSA-N 432.594 1.285 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760356738 VXWAJIVAHZYSGW-QZTJIDSGSA-N 428.541 1.872 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760517648 UDORGCXZRVJCTL-KRWDZBQOSA-N 438.532 1.751 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760520879 CFDGQFKGTQZEJP-IBGZPJMESA-N 439.564 1.499 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1760548837 QVOAGFWTWBTYFW-CVEARBPZSA-N 449.581 1.506 30 10 IDEE CN(C)CCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766934279 LMYDMNZRCCPVAY-OAQYLSRUSA-N 448.531 1.763 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1767571341 GMEGSCZRFAFMQE-CQSZACIVSA-N 430.534 1.212 30 10 IDEE COC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C[C@@H]1C 1767958937 VXZDZDXLTWMXTR-INIZCTEOSA-N 438.492 1.930 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)C1 1769059611 HNDPFBFRLMXFIV-HSZRJFAPSA-N 440.548 1.719 30 10 IDEE COCc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)c1 1769354243 NEBUNEODKHTBHH-UFYCRDLUSA-N 427.505 1.926 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CN1CCCCC1 1770218708 ZJEPVQYRMUKRNT-MUGJNUQGSA-N 432.569 1.853 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)C1 1771347490 ICAJXSNVTPAFNU-LJQANCHMSA-N 428.562 1.926 30 10 IDEE C=CCN(C(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCN(C)C1=O 1848762771 VVELUNWNZYEUIF-OAHLLOKOSA-N 433.452 1.619 30 10 IDEE N#CC1CCN(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)CC1 1848845542 NIIQVVIGHAHKOC-UHFFFAOYSA-N 446.573 1.548 30 10 IDEE Cc1nc(N2CCN(C(=O)CCON=C(N)c3ccncc3)CC2)cc(C(F)(F)F)n1 1853547465 JKCBJCVIAFTAIF-UHFFFAOYSA-N 437.426 1.575 30 10 IDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 1855747464 RLOXFGVPTCQFSO-UXHICEINSA-N 429.542 1.580 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1C[C@@H](C)O 1870549239 FZLKENBHDHAGSX-UYAOXDASSA-N 433.549 1.419 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCCN(C)C 1870671049 SIILNPQSTMFLPS-UHFFFAOYSA-N 435.565 1.933 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cs1 1889515742 NOKWQKIGAPJOOL-UHFFFAOYSA-N 441.561 1.720 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)CC1 1889642284 HLDZKBFOMQWLEQ-UHFFFAOYSA-N 447.601 1.432 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 1891534865 VAJSBVCULDBOKI-UHFFFAOYSA-N 445.455 1.319 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2022955965 YNHYYOHYGYCOFY-HGSUQPQSSA-N 426.319 1.069 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(F)cc1C#CCO 2145940253 YNFGMQHKRTXJEE-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2211148932 NHULYLUDADJNRX-FXUDXRNXSA-N 425.526 1.752 30 10 IDEE COCCN(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2248401839 OSZYDAOJLFJGOU-UHFFFAOYSA-N 442.347 1.081 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255623609 PHHSSAHGQOYFRU-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2256055762 CVKRXOJHLKQTCT-YEJXKQKISA-N 430.314 1.515 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2257590980 TYCABLCQKIVBEF-CQSZACIVSA-N 438.330 1.927 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)n1 2267187080 SLPSGLGAHNOCDU-MZBDJJRSSA-N 446.357 1.705 30 10 IDEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267265129 AVVLMLJGSSYUAN-QGZVFWFLSA-N 439.369 1.851 30 10 IDEE CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267272442 ZPTUDZFSYLXHDW-SFHVURJKSA-N 439.369 1.708 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267548551 SMRDGGRGEBNDPD-KMFMINBZSA-N 446.357 1.847 30 10 IDEE C[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267590343 NOGFNQUVQRMGOX-TZMCWYRMSA-N 441.259 1.910 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2271396520 YIBIOKOTQQFCBU-UONOGXRCSA-N 449.361 1.632 30 10 IDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2287685202 DYUWONHNRZNFNG-YLJYHZDGSA-N 440.518 1.187 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N=Cc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 2294853639 WJHCKBGRAPMEIX-VHSXEESVSA-N 428.681 1.666 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1O 2329035336 PVTIZHAWUYMZMZ-ZDUSSCGKSA-N 433.490 1.561 30 10 IDEE Nn1c(N/N=C/c2ccccc2O)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20527307 DWPBAVRTJNIDHI-DJKKODMXSA-N 428.434 1.783 30 10 IDEE COc1ccc(C=N/N=c2\[nH]c3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c(OC)c1 254344200 ULTRYTGKLAKRKR-UHFFFAOYSA-N 448.483 1.367 30 10 IDEE COc1ccc(OC)c(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254625941 XLYPMEZEIRYZNL-HIFRSBDPSA-N 442.515 1.560 30 10 IDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@@H]1COC(C)=O 257477913 LUXJXSFHXOVGTA-WSFSTNEWSA-N 448.512 1.973 30 10 IDEE biogenic C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 410242936 VLQOULNXGUYWGQ-KRWDZBQOSA-N 442.541 1.374 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1CCC(C#N)CC1 442972042 JVZCPYQIABTWHU-HTWSVDAQSA-N 441.575 1.214 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 478746309 LSTCBJNGIUQLAG-WMZOPIPTSA-N 442.512 1.727 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)nc1 478757569 YLWYUVHGFZEXBT-FUHWJXTLSA-N 439.537 1.291 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@@H]1CCCO1 480941581 YHDSXGZSWCFQCC-HOCLYGCPSA-N 430.526 1.946 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N(CC)Cc1ccccc1 506961788 MHVHPAJVFLUCJM-UHFFFAOYSA-N 426.502 1.744 30 10 IDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 512240599 BDVMPGWEPAMSRL-UHFFFAOYSA-N 431.489 1.658 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c(C(F)(F)F)c1 513377713 MRTJVPYKOVBKOY-UHFFFAOYSA-N 437.465 1.812 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 514591771 CGKFSWTVUJOQSW-UHFFFAOYSA-N 448.451 1.099 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C(=O)OC)C3)nnc12 521870424 SREYDSQEBBURHE-CYBMUJFWSA-N 427.486 1.344 30 10 IDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)cc1 522322616 NOOMHMXBLVRBKP-UHFFFAOYSA-N 448.523 1.754 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 537153914 HSHNVDBDTGKOEU-HNNXBMFYSA-N 436.563 1.559 30 10 IDEE CCOC(=O)c1cn(C)nc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 543314020 UTQWRYCOJMWSEB-UHFFFAOYSA-N 446.489 1.007 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546197981 PZBQSUXNSXPUJS-UHFFFAOYSA-N 443.529 1.149 30 10 IDEE CCn1c(=O)c(C(=O)CNC2(c3cccc(C#N)c3)CC2)c(N)n(Cc2ccccc2)c1=O 551713335 WMLPUDNBYDWWHV-UHFFFAOYSA-N 443.507 1.994 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 564759581 AGNKFBDUBVSWFJ-UHFFFAOYSA-N 440.469 1.080 30 10 IDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 581457190 KTNVPLVNOCMTHV-SFHVURJKSA-N 428.537 1.164 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3C[C@H](C[C@H]4COCC(=O)N4)c4ccccc43)cc2)c1N 588775993 XOQPMWVRYMNKOL-WMZOPIPTSA-N 442.479 1.975 30 10 IDEE N#Cc1ccc(CN2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)cc1 604467902 MXNUWCUZCZPAKW-UHFFFAOYSA-N 437.569 1.722 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 732677200 SBWZBSZPJNNNQD-OAHLLOKOSA-N 425.580 1.660 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C(=O)OC)sc2ccccc12 751022052 ZLQFEFUJSMJCPK-LBPRGKRZSA-N 427.525 1.499 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N([C@@H]2CCOC2)C1=O 751680272 WQCQGRSKFMIVJI-CZUORRHYSA-N 426.489 1.753 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@H]2CCOC2)C1=O 751693029 CTOVVXRTZUJSHP-WMLDXEAASA-N 434.518 1.204 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754634334 BTLROESILXANPT-FYWRMAATSA-N 427.186 1.753 30 10 IDEE O=C(NCC#CC(=O)N1CC[C@](O)(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470215 DJJZHZJAZDQPMH-XMMPIXPASA-N 434.448 1.577 30 10 IDEE CC[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 762723710 YMYKXAMEJSZVPJ-LBPRGKRZSA-N 430.324 1.892 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(S(C)(=O)=O)cs2)c1 768123755 AIFURPGRGALCNF-UHFFFAOYSA-N 432.523 1.639 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)C1=O 771446663 MTMFDNJZHQOUAB-QKKBWIMNSA-N 430.461 1.074 30 10 IDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 773314829 QCKYFBSJNARBQD-CQSZACIVSA-N 429.520 1.111 30 10 IDEE C=CCC[C@@H](C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1)c1ccccc1 778632607 UFNLAXKOFLXMPO-HXUWFJFHSA-N 438.528 1.831 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(C(C2CC2)C2CC2)c1=O 782761019 FQFFKVCBYSNCQV-UHFFFAOYSA-N 430.331 1.794 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786687743 GVTICFSMAPMVJA-SFHVURJKSA-N 445.566 1.703 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)n1 788814434 FAEVQXYAGUWDOJ-FAQVEIGNSA-N 429.521 1.238 30 10 IDEE COC(=O)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 793383992 MZJFLHNUWWBSTG-UHFFFAOYSA-N 443.481 1.884 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)cc1F 813697889 NVWVYOCHTGCOGK-SFHVURJKSA-N 445.472 1.872 30 10 IDEE CCn1ncc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 815909487 BFNBREYASWLRJO-INIZCTEOSA-N 430.490 1.434 30 10 IDEE C#CCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)[C@@H]1CCS(=O)(=O)C1 1125884763 YHGXMNSZQKZINU-MRXNPFEDSA-N 440.477 1.647 30 10 IDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1127456570 HREXHLVSVUVVMS-OAGGEKHMSA-N 439.509 1.917 30 10 IDEE C#CCN(C(=O)c1cc(F)cc(I)c1N)[C@H]1CCS(=O)(=O)C1 1142047086 XAGJDGYNIQXJOJ-JTQLQIEISA-N 436.246 1.275 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1165508159 MQWNKSDHPOOITL-OAQYLSRUSA-N 426.485 1.766 30 10 IDEE C#CCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1286360627 UYPLBMRINXQLKB-QHCPKHFHSA-N 441.580 1.789 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1286389458 KIUXBXHARCHEEG-KRWDZBQOSA-N 430.530 1.848 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)N2CCCC2)CC1 1286471191 JWRKEFXKRGCNRC-LJQANCHMSA-N 439.564 1.602 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCc2ccco2)CC1 1286482155 MRBZCDJGAXDBHB-UHFFFAOYSA-N 439.545 1.298 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCN2CCCO)CC1 1286489752 ARLWHKUSGLEMLV-HXUWFJFHSA-N 428.581 1.358 30 10 IDEE C=CCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286705087 PFZXVZLMYSWHKN-BBWFWOEESA-N 448.568 1.966 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOCC)CC1 1286784579 MNDPXPWNQDKXDR-UHFFFAOYSA-N 449.559 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286814778 GQACGABFXUKKKY-HNNXBMFYSA-N 437.953 1.901 30 10 IDEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1288740506 UWNSCKZFTHPRMF-MRXNPFEDSA-N 441.465 1.372 30 10 IDEE CC[C@@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291759909 MNGMYSGJTZHAKJ-OAHLLOKOSA-N 440.552 1.682 30 10 IDEE CC(C)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)N1CCOCC1 1299869076 FEWUCPAHCPWPCU-KRWDZBQOSA-N 425.482 1.126 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1300303427 IVOYFBZWXKFOTA-ZWKOTPCHSA-N 449.559 1.618 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300539089 XUTXEGWWMOAMHT-OTWHNJEPSA-N 447.605 1.141 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1300556099 BXIKMQYQVVQAPG-HNNXBMFYSA-N 433.509 1.547 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2nnc(C)s2)CC1 1300681662 XSXIMMCVQDZLHW-UHFFFAOYSA-N 428.566 1.062 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC)c2)CC1 1300728570 AFMSMCGRSZWZME-UHFFFAOYSA-N 449.563 1.370 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1300801026 GHIZORBOBIJTGJ-JPZYQRIQSA-N 438.557 1.953 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)C 1300874715 NMPAFRNXBKFKTF-VQIMIIECSA-N 441.536 1.867 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C2CC2)C1 1301567743 LCRGHFRMZGPDEC-MRXNPFEDSA-N 430.534 1.763 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1301585799 OKRPSPYBOBXREV-UHFFFAOYSA-N 431.566 1.653 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CCO1 1303009049 CZOHMEMOUDEUAJ-QGZVFWFLSA-N 433.896 1.781 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1303441021 IEWSURRWEMJNIA-ZZEZOPTASA-N 429.525 1.423 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1303635509 HFPDTXUEBCDSQE-VLIAUNLRSA-N 444.565 1.455 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCS1 1305204503 ACPBUYUFHPJUHS-INIZCTEOSA-N 442.545 1.529 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C(=O)OC 1309574455 WZEVOMFTYLUILZ-CYBMUJFWSA-N 430.269 1.383 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCC2)C1 1314552810 PVTXALWOADDKAD-UHFFFAOYSA-N 444.561 1.905 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)c2ccccc21 1314900545 PFSBNDGZSQOBOS-FQEVSTJZSA-N 445.524 1.818 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1315722421 ZSLOPXRUNMHSSR-LVOTYXHCSA-N 439.520 1.671 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1316191357 UQTKIXVOVDLQFK-LPHOPBHVSA-N 439.582 1.957 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCOC2)CCO1 1316540566 WSZLTACKHKXHMG-SCLBCKFNSA-N 434.294 1.588 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1358965092 NOPVRPFYWOVKAZ-IBGZPJMESA-N 444.605 1.478 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1358965149 OVIFEMWAJGRJNG-LJQANCHMSA-N 439.545 1.096 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H]2CCOC2)CC1 1359040403 SXPBRIWPIWLTGP-QGZVFWFLSA-N 444.580 1.589 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1359064647 XQEZCDIFJAKPOJ-WHSLLNHNSA-N 445.545 1.720 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359326993 PBMMPXUIULFYNX-QZTJIDSGSA-N 425.599 1.549 30 10 IDEE N#Cc1cn(CCC(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c(=O)nc1O 1449767901 UVDFCFIEEFGEFD-CQSZACIVSA-N 440.410 1.484 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H](CCF)C3)nnc12 1457966500 GHGGOHNDYUYVFJ-AWEZNQCLSA-N 431.493 1.909 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(c2ncc(I)cn2)CC1 1460580766 XEPGCSVKBAQZHM-LBPRGKRZSA-N 440.289 1.154 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 1467273450 DLPGXFZAYYFFMO-HNNXBMFYSA-N 446.566 1.863 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)C1 1469727738 BJDQDDPMJPZPAX-KKUMJFAQSA-N 432.481 1.789 30 10 IDEE N#Cc1cc([N+](=O)[O-])c(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1F 1472763767 SNMNKQKGVGYXFH-UHFFFAOYSA-N 425.364 1.561 30 10 IDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1473836529 BHWHPLPMKDYGKU-OAHLLOKOSA-N 438.511 1.928 30 10 IDEE O=C1C=COC2(CCN(C(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)CC2)C1 1478524428 QFEQFVMNWASNNM-UHFFFAOYSA-N 429.445 1.290 30 10 IDEE CC(C)(CNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)[C@H]1COCC12OCCO2 1478796696 FCFQUFRMAJBDOQ-QZTJIDSGSA-N 429.521 1.955 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1499680550 ICAALUFJABEYPA-LQTLECTNSA-N 447.499 1.958 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCSC1 1503108121 CMTDZULKNSYXQD-JKSUJKDBSA-N 428.566 1.944 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1)N1CCOCC1 1507541423 JUQUULFNHMPRMN-TZIWHRDSSA-N 436.560 1.932 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1507544595 YRTQZKKVYGJCFO-LSDHHAIUSA-N 435.575 1.552 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C)C(C)(C)C1 1507611362 PMCRJDMZKZIWOP-UHFFFAOYSA-N 434.552 1.016 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Cl)cn1 1507654224 ATKRRICCRSMUSI-UHFFFAOYSA-N 427.921 1.893 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 1507728814 VHWOQSOZXDZZRO-OAQYLSRUSA-N 438.576 1.376 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCOCC2)C1 1507743672 IMSVHSXBYFAQCR-UHFFFAOYSA-N 435.594 1.949 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1 1507821240 XBARNPXOLWXDLX-SJORKVTESA-N 427.571 1.438 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1508000343 XFBANVKHWLMOTO-GOSISDBHSA-N 427.530 1.769 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC=C(C)C)C1 1508125093 NVUZIQVYFGGQSF-MSOLQXFVSA-N 439.582 1.749 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1508399694 GKGVDXCXBZCUGR-ZWKOTPCHSA-N 440.460 1.369 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC(=O)N1C 1512497143 HCSQAVSPHBNQOS-CQSZACIVSA-N 434.447 1.677 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1516857619 GJNBSLLISCFSHH-WJOKGBTCSA-N 436.545 1.702 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1517005044 BNFXYRKAMPHMNR-LJQANCHMSA-N 436.564 1.961 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2Cl)CCO1 1521128955 HVXCOASNOMWDCU-HZPDHXFCSA-N 435.937 1.805 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539230570 OIOHNOFYHBSFCA-QZTJIDSGSA-N 432.546 1.827 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)nc1 1539333587 GWSXWAACVFABLB-UHFFFAOYSA-N 447.524 1.275 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539615011 FBLWWBBCLBJDAF-JXOCDABTSA-N 433.553 1.842 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1539669128 LQKWZLXVFVHIEU-XLIONFOSSA-N 441.598 1.829 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1539744155 DGCVFJQNKLCXCY-MSOLQXFVSA-N 429.525 1.616 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1539803355 HYQFUTREWJEJIF-LUXYFRNMSA-N 430.958 1.705 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1539981028 CNOYQCUMZHIMSE-OOHWJJMZSA-N 426.587 1.738 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1540861890 KHQYPLJKACDDHR-HNNXBMFYSA-N 446.581 1.058 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540866459 NWHLWGMFYLHOAO-JKSUJKDBSA-N 432.912 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1540869000 YYXVRVGXEVQCAH-UHFFFAOYSA-N 448.531 1.509 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1541049575 MBQFMGSQNSILRN-QYWGDWMGSA-N 449.529 1.846 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1541109474 GSULMWKOXQUGCD-LBPRGKRZSA-N 438.410 1.991 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1555055011 BMGXPDYYGUVXRK-HZPDHXFCSA-N 431.518 1.650 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1556140448 CZXFPFHFRRQFDR-KRWDZBQOSA-N 426.498 1.964 30 10 IDEE Cc1c(C(=O)N2CCN(CCC#N)CC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1557980260 DCPDLBJFNSTNDQ-UHFFFAOYSA-N 431.541 1.830 30 10 IDEE CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1558511727 XRORRZSZGRYVMT-XPIZARPCSA-N 431.514 1.087 30 10 IDEE C#C[C@H](NC(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1)C1CCOCC1 1563912626 ULCILVWRNWYNJC-NRFANRHFSA-N 448.608 1.991 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1565661888 PHJCLYOPPBRQKS-KURKYZTESA-N 449.349 1.971 30 10 IDEE Cn1cc(I)c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1586483177 ZMFSPWWSDTWZSA-NSHDSACASA-N 435.225 1.888 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1588030221 RDSGCBAVXZLFKP-RDJZCZTQSA-N 442.607 1.243 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCCC1 1588647572 XIAIPMMZMSJALZ-UHFFFAOYSA-N 439.564 1.843 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1588790978 JDPIARPSKXINFC-UHFFFAOYSA-N 426.484 1.114 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1589069901 OQVFIARGOGTDQY-QGZVFWFLSA-N 443.639 1.848 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 1595467751 YSRZSFTZFXAWQB-GOSISDBHSA-N 442.520 1.003 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595658968 OURRTWAIFOPWLA-MSOLQXFVSA-N 438.532 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595812188 PABLNUUFONXGKK-RTBURBONSA-N 447.561 1.249 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595883879 CNKDAOQXTSXTQN-GOSISDBHSA-N 435.594 1.776 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1610906787 VJSWXHUXLLIQSX-UHFFFAOYSA-N 439.310 1.992 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1613709320 ODSNGJXGDLYPQA-NRFANRHFSA-N 447.561 1.883 30 10 IDEE CCOC(=O)[C@H]1S/C(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)N(C)[C@H]1C 1614995103 ZKKOPMSGSACQMX-BXHQQFBRSA-N 439.559 1.965 30 10 IDEE CC(C)n1cc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c(O)nc1=O 1632996492 AFGHOQISKFPFJY-UHFFFAOYSA-N 446.305 1.917 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1cc(F)c(C#N)c(F)c1 1633679408 LBXPOMYXJSJLJN-UHFFFAOYSA-N 442.465 1.585 30 10 IDEE COC(=O)c1cnc([C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)s1 1633937633 JGCDUSOOYBMWMC-AWEZNQCLSA-N 448.526 1.486 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1637215548 ZHNPTPCVOIURHU-RDJZCZTQSA-N 427.567 1.614 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2)[nH]1 1639637771 FWZWZIVXWVWLSX-OAQYLSRUSA-N 446.463 1.966 30 10 IDEE C#CCOCCN(C)C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1648264359 KOXPQUFKTUSXGI-QFIPXVFZSA-N 449.507 1.877 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C[C@H](CN(C)Cc2ccccc2)c2ccccc2)CC1 1654025550 LVHMJLXNWHJLGH-DEOSSOPVSA-N 440.613 1.987 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OCC 1670885762 BIIADNCSTDSALN-LBPRGKRZSA-N 428.891 1.550 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(n2nncc2I)CC1 1683482799 AXPBGZQEIOWOJI-AAEUAGOBSA-N 431.278 1.820 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCNS(=O)(=O)Cc1ccon1 1689854450 AIRXOGUWOBOSPJ-OAHLLOKOSA-N 446.508 1.574 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689984130 LRYIFPHJFAQZOZ-OAHLLOKOSA-N 437.953 1.781 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689988874 XTQWKOFEZFVIIV-QGZVFWFLSA-N 431.493 1.560 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@](C)(O)CCOC)CC1 1690120302 PLGDIFJUTPHLNQ-XMMPIXPASA-N 449.559 1.674 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCOC2)CC1 1690132864 ZDKPEVUIJMZHNN-HSZRJFAPSA-N 425.533 1.381 30 10 IDEE C#CCSCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186382 ORFPEIVDZDPQSW-OAGGEKHMSA-N 448.593 1.727 30 10 IDEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690478520 ZYESFJRPTOHOOM-HNNXBMFYSA-N 440.504 1.076 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1690619840 FXSOHEVGFNXXQJ-UHFFFAOYSA-N 435.550 1.227 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690621840 BBCNOJKHBCNNNJ-LSDHHAIUSA-N 446.474 1.131 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCCS(C)(=O)=O 1690663230 QHSFEQXXXMTHNV-UHFFFAOYSA-N 431.518 1.864 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1690719205 IEBDNZNSHJRSJQ-MRXNPFEDSA-N 434.518 1.554 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1690723792 BEEZNEXXOTZFNY-FXAWDEMLSA-N 447.492 1.833 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCO[C@H]1CCOC1 1691871687 XYFMXXRUZVKXCI-ROUUACIJSA-N 440.552 1.974 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)cn1 1698069868 BYNBDTXBXNILEU-UHFFFAOYSA-N 448.531 1.813 30 10 IDEE COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1698225048 SMOPTBYGYZCEHQ-MOPGFXCFSA-N 440.504 1.342 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1705496080 ZIKSJGKBKDMRCF-FXAWDEMLSA-N 438.557 1.931 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1705552397 YKRKRPLRMOJFKX-KRWDZBQOSA-N 432.546 1.900 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705569774 HEDMSPLTDUJSRG-MRXNPFEDSA-N 439.582 1.628 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N(C)C 1705602265 ONIMYGTZYAZDIR-UHFFFAOYSA-N 433.509 1.351 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C(C)C)cs2)CC1 1705639664 UDGJDTBXIIUDQM-MRXNPFEDSA-N 448.618 1.564 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)O[C@H](C)C1 1705680799 HSJNHXADERHTSD-AGIUHOORSA-N 436.376 1.801 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705696032 DTRMZHHRLSTOIT-UPZYVNNASA-N 430.597 1.947 30 10 IDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705839269 ULRBECHUXUWBBR-OAHLLOKOSA-N 433.534 1.620 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1705857246 RUUNJQLIODLBHB-AVRDEDQJSA-N 427.505 1.582 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnccn1 1705930997 BJKZWAWOYREHEP-UHFFFAOYSA-N 443.489 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCNC(=O)[C@H]1CC 1705931418 PDSYZQCWTHGXFP-MRXNPFEDSA-N 437.953 1.914 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1706748248 HFEOBAYRNKFUCK-YOEHRIQHSA-N 430.534 1.614 30 10 IDEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CCOC1(C)C 1708269477 BHNKVBDBGGLKSO-INIZCTEOSA-N 436.520 1.995 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1712422242 QDUMFIDDMYXGRA-QUCCMNQESA-N 437.548 1.357 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1712698341 IFTJKQGZMFKLSY-SFHVURJKSA-N 425.461 1.873 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(C)CN(C)C2=O)c1 1722308490 BEPZDHAOCAUAMQ-HSZRJFAPSA-N 446.515 1.213 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CC=CCC2)c1 1722309215 LEWJZPJPNPVALE-UHFFFAOYSA-N 444.543 1.997 30 10 IDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722312846 LEYDQKDQUCYKIE-UHFFFAOYSA-N 438.536 1.939 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1722365065 BXZIGTRJMGMRMF-KRWDZBQOSA-N 430.578 1.613 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722366752 JPNQMCYDXOQKAK-SFHVURJKSA-N 439.545 1.251 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722367490 WGTWKJOTJBNXPR-SIKLNZKXSA-N 444.557 1.605 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722369939 JAZTYVHDGJWDMR-QZTJIDSGSA-N 437.610 1.562 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1722397140 NMTWKSPJHKCPGC-KRWDZBQOSA-N 431.587 1.959 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)COC)CC1 1722437994 MPIIEEQSFHBPCK-KRWDZBQOSA-N 435.532 1.230 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCCCS(C)(=O)=O)CC1 1722439906 UGWWGJXNYMUWDG-UHFFFAOYSA-N 430.578 1.234 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOC)CCCC2)CC1 1722439998 AKAJXNSBZVWRCY-UHFFFAOYSA-N 428.581 1.753 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1722452626 VGRDGTHSDTXJIQ-OAHLLOKOSA-N 429.612 1.508 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](OCCOC)C1 1722487440 OKUZYDNZUIEMEH-AWEZNQCLSA-N 428.331 1.551 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N(C)C)c(F)c1 1722863537 KWPIYBYQTIXAPV-KBPBESRZSA-N 437.545 1.738 30 10 IDEE CCN(C)C(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1728260233 BJPXBBMIMAGPPT-OAHLLOKOSA-N 436.520 1.892 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1740533887 VAJRHGIFHLPMGH-LSDHHAIUSA-N 429.550 1.855 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1740615028 PBUZSDFLSQWBPS-UHFFFAOYSA-N 425.518 1.802 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740618069 BLXZXBHPWJIHEL-QGZVFWFLSA-N 428.518 1.738 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740621280 KXUKIAKIJGELPN-AWEZNQCLSA-N 431.547 1.303 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1740671230 BJJWOTWQISBTLS-SQNIBIBYSA-N 437.566 1.052 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740683978 SUBLCZVQPDSEFL-MRXNPFEDSA-N 441.458 1.028 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2C)CC1 1740705636 KCHCIRUFWASZND-HXUWFJFHSA-N 434.544 1.860 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740889937 NIMFLJFEOZYLAR-OZIGNCPNSA-N 436.553 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1740954038 ZTXYMXIRUQFSGF-CALCHBBNSA-N 429.546 1.743 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740955950 JDNDRBFNWGXDCO-MRXNPFEDSA-N 449.519 1.088 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(=O)OC)C1 1740988566 JATWDWHJTNZKCY-CQSZACIVSA-N 439.925 1.594 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1C(C)(C)C 1740993523 DNFHDVZSXCICJD-JXFKEZNVSA-N 426.583 1.951 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1C(C)(C)C 1740995366 JFENHWOYIWKSMM-HXUWFJFHSA-N 436.582 1.662 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1741142337 LGEWHUBEEUIBOL-RLFYNMQTSA-N 433.534 1.490 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CCO1 1748223748 VRCYTIIXAAKADL-ZHALLVOQSA-N 442.495 1.818 30 10 IDEE COC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1748348691 GCGRAOVCQVBNGV-MJWGMMHASA-N 445.524 1.280 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1748751935 OQKXAYRKYMOZQM-SFHVURJKSA-N 433.534 1.366 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748771390 IYCHLYDFSVQPCR-OAHLLOKOSA-N 436.509 1.566 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748810670 ZIBFTCBTFXFXFV-ICSRJNTNSA-N 442.541 1.926 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748817847 RKDFOYJVRIIEKF-RTBURBONSA-N 444.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1COCCO1 1748840982 OJULSMSXYUUVTD-QGZVFWFLSA-N 442.545 1.117 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748890737 VITHOLQQQPCTRF-OAQYLSRUSA-N 446.555 1.594 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1748964725 IEBHDZHJAFUIEY-UHFFFAOYSA-N 446.573 1.788 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)C(C)(C)C)CC1 1749019575 ABFMPDWLIFCXAH-QGZVFWFLSA-N 430.553 1.258 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)C(C)C)CC1 1749020035 JFDDDUBZMJTQKZ-SFYKDHMMSA-N 447.580 1.375 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCOC 1749063629 ANBDIAMNAOJTGO-OAQYLSRUSA-N 446.577 1.893 30 10 IDEE COCCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749593393 NBIAPNRXOQWKAP-KRWDZBQOSA-N 439.520 1.827 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)c2ccccc2)C1 1749705540 IXYSBGWOOPAYDL-SFHVURJKSA-N 442.545 1.934 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749726726 CDRMPNFSFFTTAO-OAHLLOKOSA-N 426.564 1.415 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1749729842 UIYNCNAOANLMER-GOSISDBHSA-N 445.549 1.196 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760102235 GMLSBDBNWPPZNW-BFUOFWGJSA-N 440.472 1.554 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(C)nc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1760180644 ITYSFVITWSXWEW-IBGZPJMESA-N 428.562 1.565 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760375688 UCNZZCRDLIAASC-WBVHZDCISA-N 449.987 1.551 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760527539 ZXFZTUDFYBSAJR-LJQANCHMSA-N 449.559 1.888 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)C1 1760533602 JFNRONCVEZHUQB-GOSISDBHSA-N 438.532 1.532 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCCS2(=O)=O)C1 1760546178 KFQZHHGXXRWMRN-HXUWFJFHSA-N 445.589 1.994 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1760556223 XBNSECZGOFIOJE-XMSQKQJNSA-N 446.573 1.789 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1760696205 GABLDAXFSDSRSF-MRXNPFEDSA-N 444.565 1.440 30 10 IDEE CC(C)CC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1761056272 BIGIMYICCYRYEB-HNAYVOBHSA-N 426.587 1.815 30 10 IDEE CCC(O)(CC)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1764297239 FUKIVDVPZSMZQC-UHFFFAOYSA-N 433.520 1.879 30 10 IDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1766519719 ZLRTYXXBROZYIC-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE CCN(CC)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1766643581 JWWABCBBBKTWSU-XUTLUUPISA-N 427.553 1.993 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1768538998 DFKGHIAARBTKSH-JWRCQZCYSA-N 447.586 1.741 30 10 IDEE CCn1c(CCC(=O)ON2C(=O)c3ccccc3C2=O)nc2cc(S(N)(=O)=O)ccc21 1772790141 KEMCSXQCEHDMRS-UHFFFAOYSA-N 442.453 1.391 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3cc(F)c(F)cc3F)C(=O)O2)CC1 1856598122 XMFDSJDLWLYXGQ-HNNXBMFYSA-N 431.392 1.630 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862565527 ZNDVQPWYRNBGKG-SFHVURJKSA-N 428.441 1.952 30 10 IDEE COc1ccc(OC)c(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCNC(C)=O)C2=O)c1 1863375312 LYOYKMCADIFQEX-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE CCCCCCCCn1cc(OCC(=O)OCC)c(=O)cc1CN(CCO)CCO 1870694570 JKEYINPUFVHSKF-UHFFFAOYSA-N 426.554 1.937 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701692 ZXAVCOMSFQPZAX-UHFFFAOYSA-N 449.563 1.648 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)cs1 1890011578 UHHWULBRJPGIFH-UHFFFAOYSA-N 436.497 1.450 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cc(Br)ccc2C#N)[C@H](O)C1 2197488101 JTKDLPSUVMFLGI-KDOFPFPSSA-N 440.294 1.992 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248397986 PTCRHKRIZPVQCT-LBPRGKRZSA-N 436.343 1.621 30 10 IDEE CC[C@H](CN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255603866 ASBMEBUGNGFFPN-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255615806 LTWGSYAJPUYGHR-KBPBESRZSA-N 432.330 1.646 30 10 IDEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255629288 TWRQILKNOBBXNQ-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255703085 OOGGXDKZXXZSET-KGLIPLIRSA-N 436.314 1.848 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2256067533 QBAVTUWBMMELAW-ZIAGYGMSSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256626013 FBVXFADIVURRBN-ZIAGYGMSSA-N 433.314 1.690 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1NC(=O)C(F)(F)F 2267126441 AWIRGCSAHSNJSY-WCQYABFASA-N 444.263 1.248 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267500552 KMNIKGUGFOHVJS-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2267542975 ZWNLATZASWDWTD-YEJXKQKISA-N 447.345 1.244 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2267598510 AVRINEZYRIINTQ-MGPQQGTHSA-N 447.345 1.100 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)O 2269033519 ZOHNBPORCICBQY-KRWDZBQOSA-N 442.325 1.034 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269047041 MJWAEERRQZFIES-GOEBONIOSA-N 441.293 1.564 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2315534356 RSQBJTPUVONZLQ-QGZVFWFLSA-N 430.236 1.002 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)C(N)=O 2317130147 WKXDAXHTGXLXLE-INIZCTEOSA-N 431.298 1.615 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2334270758 PPSLSIDWMXXPOY-IIAWOOMASA-N 446.357 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C 2337197932 CYTFELBHZMXQHW-YIONKMFJSA-N 446.357 1.705 30 10 IDEE C#C[C@@H](C)N1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364181044 VVGZPIQQPCYYKM-GOSISDBHSA-N 431.558 1.812 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1OC 20292737 AWYXJRYJKPRKDI-UFFVCSGVSA-N 428.478 1.581 30 10 IDEE O=C(/C(=C(\S)NCCN1CCOCC1)[n+]1cccc(CO)c1)c1ccc2c(c1)CCC2 22694716 LVRKSXAIXCTSOR-UHFFFAOYSA-O 440.589 1.816 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(N3CCC4(CC3)OCCO4)=NC(O)=C2[C@H]1/C=C/c1ccccc1 72444396 AQWSVHHQRRDSFH-SGUAIBKKSA-N 433.468 1.962 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 102757099 UEVDJUWWDZUGPY-HQMFNGAOSA-N 425.489 1.186 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 303436115 DMPQDLYWWBDIHS-MRXNPFEDSA-N 428.493 1.749 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@@H](C)O1 436089600 CBDLLWPCMUVLSP-CALCHBBNSA-N 432.546 1.088 30 10 IDEE CCc1ncsc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 438090625 BEVPFIICIJXKBE-UHFFFAOYSA-N 433.515 1.049 30 10 IDEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)ccc1C#N 460595168 HBHYJELPQXPTMX-UHFFFAOYSA-N 444.332 1.986 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 462086381 WLLPECHAROCIHW-UHFFFAOYSA-N 445.439 1.858 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccccc1C#N 481977753 AAMLZHCLTCSIMD-UHFFFAOYSA-N 443.513 1.486 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(N3CCCC3)n2)CC1 511933133 XHAYJPREUUWHRZ-UHFFFAOYSA-N 426.502 1.095 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 537172675 SNTHXMBGEQWCJD-MOPGFXCFSA-N 445.589 1.028 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1 543481909 ZGGOXPYWQQJPJB-FQEVSTJZSA-N 446.960 1.830 30 10 IDEE C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2cccc(C#N)n2)CC1 546916266 DUAUBPBIRNLOAP-CYBMUJFWSA-N 446.433 1.636 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)C)CC1 549459811 SNQSYCZHQJUVLY-UHFFFAOYSA-N 445.593 1.350 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(F)c2Cn2cccc(C)c2=O)CC1 583049032 LSNPCOGTEPCCRB-UHFFFAOYSA-N 441.507 1.796 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@@H]1CCCO1 618638107 YAXMFKCGGMXKNT-IBGZPJMESA-N 448.548 1.666 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 670233829 BYDLHNLBVROQRH-IAGOWNOFSA-N 437.522 1.358 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nncn2C2CC2)C1 732086180 ZDXCFNCSRPTJSA-HNNXBMFYSA-N 442.545 1.838 30 10 IDEE C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732152806 BAZFPZCQLWDWOM-APFMSCDFSA-N 446.529 1.506 30 10 IDEE CCOC(=O)[C@@H](CC1CC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 752382437 IMLOANLTFUDPOE-LJQANCHMSA-N 433.530 1.807 30 10 IDEE O=C(OCc1nnnn1CC(F)(F)F)c1c(C(F)(F)F)nn(CCO)c1C(F)F 758521468 GQUBQWIGMPGDQK-UHFFFAOYSA-N 438.235 1.738 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 769720523 RMBPHKQVTOGWML-UHFFFAOYSA-N 445.229 1.494 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771448210 UAIOSGONOZPFFL-QRQCRPRQSA-N 444.488 1.322 30 10 IDEE C#CCOC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 773996940 UTDLMOGCTFKLOD-UHFFFAOYSA-N 442.921 1.528 30 10 IDEE N#Cc1ccc(C2(C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 781394755 ORNMMYPTHNCFMU-MOPGFXCFSA-N 446.525 1.328 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 789243931 ISVMBAIIZZLUDL-NRFANRHFSA-N 434.500 1.347 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)C[C@H]1N1CCOCC1 802454559 XRYWPJHBCCFABE-PZJWPPBQSA-N 440.548 1.922 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 812175311 MYBGAYMSGUJMHH-JKSUJKDBSA-N 434.541 1.830 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NNC(=S)Nc3ccccc3C#N)nc2)CC1 915997261 HGNUNBCRQPGKRQ-UHFFFAOYSA-N 431.547 1.203 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CCCN1C(=O)OC(C)(C)C 1126465082 UWYFJZQGECFWEP-OPAMFIHVSA-N 429.521 1.825 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1 1136955324 FENVXFDLRJXOEM-QFBILLFUSA-N 440.525 1.646 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 1151412162 ULCSQGLSQNCORX-HOYKHHGWSA-N 445.479 1.396 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1153313517 MMSBKBGYLRHYFB-MRXNPFEDSA-N 426.535 1.548 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Cl)c(Br)cc2OC)CC1 1157010249 ZGJDGGKKDJMMSY-UHFFFAOYSA-N 428.714 1.618 30 10 IDEE COc1ccc(CN(CCCO)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1158746209 XPRYOYCUTKIOKE-UHFFFAOYSA-N 431.514 1.830 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)C2)nc1 1178466863 YMLZUVDUSPURHL-HZPDHXFCSA-N 445.570 1.957 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C[C@H](O)CC1(C#N)CCOCC1 1194132133 FKOJQGFWBMITCP-SJORKVTESA-N 425.526 1.542 30 10 IDEE C#CC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)CC1 1196429388 IAQLWRVRBQPDRU-LGMDPLHJSA-N 447.944 1.953 30 10 IDEE C#CCSCCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1228392820 LLSCRJNIRVMWCU-HNNXBMFYSA-N 425.551 1.985 30 10 IDEE COC(=O)CC1(NC(=O)c2cccc(C#N)c2Br)CCS(=O)(=O)CC1 1269490828 CERASSBAXPVVCO-UHFFFAOYSA-N 429.292 1.561 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1286395141 QWUKEBCEWVHKSB-IBGZPJMESA-N 445.589 1.456 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286396661 WXXLLIYGJVWNFB-AVRDEDQJSA-N 446.573 1.665 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1286523398 UXAVADIRVOFPAU-DYESRHJHSA-N 449.577 1.651 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1286767602 WUKSSHQEPWMKSX-OAHLLOKOSA-N 434.518 1.747 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1286794216 ZXYBZHHQIBHNKQ-KRWDZBQOSA-N 431.585 1.011 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C)C1 1286824302 APMGJKVYEHMXND-PMPSAXMXSA-N 430.596 1.545 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1292375190 ZEDFZTBLMBTVSW-GOSISDBHSA-N 443.548 1.543 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 1297218004 OTAOIEYDVJWEAI-OAHLLOKOSA-N 433.509 1.994 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1299561704 MJIBQMFIQHTEAC-BRWVUGGUSA-N 426.525 1.584 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300491324 HAEDADULXNUWFB-RBUKOAKNSA-N 441.557 1.407 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1300596765 VXQMRKZGSAOEGQ-UHFFFAOYSA-N 429.546 1.567 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccccc2F)CC1 1300703700 PUUFJZDQUJGPKX-UHFFFAOYSA-N 447.518 1.588 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 1300992075 SYBBSZDDUPXCKN-QGZVFWFLSA-N 426.525 1.247 30 10 IDEE N#Cc1cn(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)nc1O 1301210601 AYGQIGQVDHSDSG-AWEZNQCLSA-N 429.864 1.143 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1301297948 WLUVBFLJXIPPJV-INIZCTEOSA-N 441.504 1.754 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1301477679 CVNSJJJSKFGKRB-SJLPKXTDSA-N 446.577 1.493 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1301501396 WBGMXUGXJTZMIJ-IAGOWNOFSA-N 427.505 1.751 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301506369 JPRIUBDJDVECCA-OAHLLOKOSA-N 437.470 1.639 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)CC1 1301530203 QDEYSNSJXJLTFG-UHFFFAOYSA-N 426.521 1.698 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3nccn3C2)C1 1301537569 BZWWHMMOLMIMBJ-BRWVUGGUSA-N 449.581 1.129 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCS(=O)(=O)C2)C1 1301567446 WQOOCTVPFSXUER-RTBURBONSA-N 448.593 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301578501 CJEVQZPZNFBQHY-DYESRHJHSA-N 447.561 1.634 30 10 IDEE CS(=O)(=O)C1(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1302427193 HXWVEYWSNWABPW-QGZVFWFLSA-N 449.508 1.692 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1303496897 LLRGBORCTBNUEJ-FGZHOGPDSA-N 442.495 1.908 30 10 IDEE Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1304678292 BZTDXDFUEYVYLH-ZDUSSCGKSA-N 446.313 1.444 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2Br)nn1 1309750765 XZBUTMYPBUYOMW-UHFFFAOYSA-N 429.296 1.882 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ncccc2S(C)(=O)=O)cc1 1354818159 OYWNTMYEMUJIFN-LTGZKZEYSA-N 436.515 1.550 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2Cc2nnnn2CC2CC2)c1 1358901896 ZKCWMSOSFHZERR-UHFFFAOYSA-N 433.520 1.903 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CC1(O)CCS(=O)(=O)CC1 1358954007 RLHIEOIDMSILPZ-UHFFFAOYSA-N 432.546 1.429 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358959792 PTXNSEZFKOWBJY-INIZCTEOSA-N 432.546 1.741 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1358961085 RHQSJQNFFJMGAQ-OAHLLOKOSA-N 445.574 1.373 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1358961560 BHAROPBGJJPCNI-MOPGFXCFSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1358978206 GEDUJFQEXFNPDQ-KRWDZBQOSA-N 430.505 1.587 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnn(CCOC)c2)CC1 1359034017 ZCYVYLSLCZFTPT-UHFFFAOYSA-N 435.532 1.600 30 10 IDEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1359138392 SRYXFEYQJSKTEZ-IEBWSBKVSA-N 429.521 1.667 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)CCCS(C)(=O)=O)c1ccccc1 1359140381 ZLNNDJVCPDOATR-UHFFFAOYSA-N 431.562 1.985 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359205638 DZKBISKJFPIBCA-MRXNPFEDSA-N 429.525 1.230 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C 1359291277 KSKAYYWNOXXOEJ-UHFFFAOYSA-N 443.899 1.251 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359333822 LCDLAVLILJHUHQ-LJQANCHMSA-N 445.589 1.996 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1359570468 DKFNRGLTRCSSBO-VBKZILBWSA-N 435.504 1.976 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1360338929 NLKDDQKBYISBAF-VXKWHMMOSA-N 430.553 1.927 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CCC[C@H]1C#N 1460604488 CTVUVHUTGDQEBU-YOEHRIQHSA-N 426.489 1.422 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)s1 1463640902 NKMIWUACAXPZFE-UHFFFAOYSA-N 443.572 1.610 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1470223395 UCPYXROUPRHUST-INIZCTEOSA-N 438.509 1.919 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 1471120238 GEFDWKRDHDUZOQ-QGZVFWFLSA-N 432.546 1.882 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1)C1CCN(S(C)(=O)=O)CC1 1503412116 FUVLJHZWUXHGPB-UHFFFAOYSA-N 444.561 1.592 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1503927986 CIRVFQIDNJRXKZ-LIRRHRJNSA-N 436.513 1.672 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C2CC2)cc(OC)c1OC 1504078335 HCMBOHGULHHAMH-OPAMFIHVSA-N 443.504 1.861 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1504803224 AXGNGEDVXIZBPP-LJQANCHMSA-N 426.521 1.676 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1507622543 IUSVUSJQNHGCBK-MRXNPFEDSA-N 447.586 1.559 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507634309 JPVUNPZHAVCZHG-LJQANCHMSA-N 443.573 1.850 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1507634757 MGNQIRBEOSUHEK-HXUWFJFHSA-N 433.622 1.979 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1507635950 WONQSFDLPUKUOC-HXUWFJFHSA-N 436.541 1.528 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1507689251 GVEKFFQTQRXIEU-HNNXBMFYSA-N 429.529 1.424 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507763136 OFLBMCQKZIXWCQ-RTWAWAEBSA-N 430.530 1.495 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507833137 XZTNGGRAHKLCAF-KRWDZBQOSA-N 429.550 1.977 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1507991912 XKVCJVHUXYRFRG-UHFFFAOYSA-N 446.533 1.020 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1508076799 WAACXSCFPPMXOX-KRWDZBQOSA-N 438.598 1.535 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)C1 1508110467 STOLFKHPROXWAS-INIZCTEOSA-N 428.493 1.248 30 10 IDEE CC1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1510318532 JWNRERSFZKRBMO-HFUDNHEJSA-N 448.549 1.085 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c1 1515986582 AXMREADKWKXQQF-LSDHHAIUSA-N 447.565 1.425 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1519062273 PVUUXXKHNSYTRF-XLIONFOSSA-N 438.598 1.279 30 10 IDEE N#C[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1529449531 XDBDJGPFWMJGGY-BFYDXBDKSA-N 434.518 1.397 30 10 IDEE CCn1c(CCC(=O)N2CCO[C@@](C)(C#N)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 1536619794 SNKXDTYDKSNRHL-FQEVSTJZSA-N 433.534 1.380 30 10 IDEE CN(Cc1cc(C#N)cs1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1538505645 DPVUKPQWKMWTPD-UHFFFAOYSA-N 425.557 1.903 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1538975731 CQXJZXJEEOLJLL-VGSWGCGISA-N 446.573 1.981 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539203487 QTXXQIBURKNSCB-FUHWJXTLSA-N 435.594 1.867 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539223041 YVFDJISUCOZRJR-MOPGFXCFSA-N 444.557 1.878 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1539416679 RKTCTXUWZPFVQK-MRXNPFEDSA-N 437.591 1.582 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCC(F)F)CC1 1539459490 HSVDLTWRLQZOAT-UHFFFAOYSA-N 438.504 1.307 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCCC2=O)CC1 1539462922 PVOIAEWXKOGMPL-FPOVZHCZSA-N 444.580 1.160 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCc2cn[nH]c2)CC1 1539481840 GVDIWLCJGAYVGU-UHFFFAOYSA-N 435.507 1.940 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS(=O)(=O)C1 1541454922 JPUJUIRYHGRJOC-OAHLLOKOSA-N 444.561 1.836 30 10 IDEE CC(C)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1541907644 BCODQZFZNFYGQN-IXDOHACOSA-N 425.603 1.747 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1545544459 XDXOFOCRWQDQIS-MRXNPFEDSA-N 446.581 1.276 30 10 IDEE COCCNC(=O)[C@@H]1CN(C(=O)NC(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368075 QCABGCBOYDCRIL-KRWDZBQOSA-N 441.454 1.948 30 10 IDEE COC(=O)[C@@]1(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H]1S(C)(=O)=O 1558186255 ZTPAJKXZPKJJPT-SIKLNZKXSA-N 442.493 1.843 30 10 IDEE C=CCC[C@@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1569184168 LOTOIVBNMRHMLJ-DRUFCSCSSA-N 429.517 1.914 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)nn2CC(=O)OCC)s1 1583291111 AGQPMVCBNYYGGG-UHFFFAOYSA-N 426.520 1.462 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CCO)c1ccc(Cl)c(F)c1 1587321408 ZSKUBJWJJOIXDA-OAHLLOKOSA-N 425.869 1.758 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1587878546 ACBHVHFCJSTFGF-INIZCTEOSA-N 427.509 1.898 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1588034105 BDBMDXRUBUQXJI-IIMDRIAPSA-N 436.578 1.918 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1-n1cccn1 1588079017 PSALGHVCPZDNEK-UHFFFAOYSA-N 430.516 1.898 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1588399330 OJKRIOJJYRIDSY-WEACTYFJSA-N 448.483 1.777 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1588976342 UYNYIXONDTUION-UHFFFAOYSA-N 428.566 1.208 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1593660714 STGYWAZDTNMNDT-AZUAARDMSA-N 443.596 1.356 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1593696269 MOLGBMCQAPIERZ-QAPCUYQASA-N 429.612 1.814 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1594857820 QUHZCINJJKZLFZ-ZDUSSCGKSA-N 428.559 1.377 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(O)c1 1595785393 ZEDSCLABWHVBGG-UHFFFAOYSA-N 446.533 1.630 30 10 IDEE CCc1ccccc1-n1cnnc1SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1597371373 CWGZVHNSPBLDNU-KXBFYZLASA-N 431.543 1.319 30 10 IDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(n2cnc(C(N)=O)c2N)CC1 1617900549 CBYSEAGOUBJMOI-AWEZNQCLSA-N 427.484 1.676 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1618092551 HSFOUMPUZAQOKJ-RXVVDRJESA-N 445.545 1.372 30 10 IDEE Cn1cc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)cn1 1618396822 IDXKNGDAZGOYQC-UHFFFAOYSA-N 437.508 1.822 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1626364583 RSPNUYDZHZOQNZ-QYZOEREBSA-N 438.546 1.814 30 10 IDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3nc4n(c3C#N)CCOC4)CC2)c1 1627627851 CFCQGWLIOUDQHP-UHFFFAOYSA-N 439.472 1.793 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)N2CCc3ccccc3C2)s1 1627705763 KVMKDYGFLOTPGA-UHFFFAOYSA-N 433.555 1.456 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1637389280 FJKBTTDKHXLZJJ-KRWDZBQOSA-N 446.552 1.956 30 10 IDEE C#CCCN(CCOC)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1638340916 SYLBCZKHQYSFDJ-INIZCTEOSA-N 431.555 1.092 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1n[nH]cc1C#N 1638656208 GYZUIISNVWKECP-ZDUSSCGKSA-N 426.296 1.985 30 10 IDEE CCS(=O)(=O)NCc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1639049867 MOCMYAHMZSLGEJ-UHFFFAOYSA-N 445.497 1.644 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)CC1 1639067867 DBPRIVMNOZKXGD-HXUWFJFHSA-N 441.557 1.203 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cccc(OCC(F)(F)F)n1)c1cc[nH]n1 1640132991 IONVHAAWVYGYDE-UHFFFAOYSA-N 429.355 1.346 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(CN=[S@@](C)(=O)N(C)C)CC3)CC2)o1 1647833167 JYPGYKHVKKSUKH-SSEXGKCCSA-N 436.582 1.884 30 10 IDEE CCn1c(=O)c2ccccc2n2c(Cn3cc(C#N)c(I)n3)nnc12 1652061286 XUBINLSCZNRGQI-UHFFFAOYSA-N 445.224 1.785 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811584 JKPNTUUWQRWNBO-DLBZAZTESA-N 447.488 1.820 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](C(=O)OC)[C@@H]2CCOC2)cc1 1658320825 NZLMHSBTTJXPAY-PBHICJAKSA-N 425.507 1.440 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 1658787518 BKIQHRBHLVJYPL-UHFFFAOYSA-N 441.554 1.020 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)C1 1679943834 CGFDXRQQDJWASW-XRMFNRFGSA-N 426.539 1.400 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)C1 1685177486 WDQYXBDAZIRJJE-HNNXBMFYSA-N 427.505 1.982 30 10 IDEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1)C1CCOCC1 1687126156 HFEAJXKEOUGLIG-NRFANRHFSA-N 428.533 1.779 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1689992860 QBSAQZOWFMIPHL-SFHVURJKSA-N 431.562 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690023797 GVTUSVLTAQJQIW-UHFFFAOYSA-N 446.536 1.267 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCSCC1 1690189963 HNAKJQHWILFBDY-OAQYLSRUSA-N 425.562 1.966 30 10 IDEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690297758 FXOORGJAUSPEBE-FDDCHVKYSA-N 446.596 1.684 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1690672099 HOHDFUZHYJDFAP-OAHLLOKOSA-N 432.475 1.554 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(CC)C1 1690724479 PUOMSRWDZNVAOR-YJBOKZPZSA-N 430.596 1.407 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1F 1693017414 JRYWEBYSECVSKU-SJLPKXTDSA-N 428.468 1.736 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1693749988 VAGYSSHVQQRQLX-SFHVURJKSA-N 437.548 1.596 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1COCCO1 1694132514 ZFFCXOAEIYVQRJ-ZACQAIPSSA-N 426.525 1.584 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)C[C@H]1O 1697064572 QHNVSBZIBXNEQU-NSISKUIASA-N 438.532 1.661 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1697762280 HJBLEAISXNMZQR-QZTJIDSGSA-N 444.511 1.781 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1698295693 MDLGVJXKXXBBEH-MOPGFXCFSA-N 445.545 1.636 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCCC2)CCO1 1698492979 HVUCIOXJUSIURB-CQSZACIVSA-N 430.459 1.922 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1705477774 RTAIKVSKTWVTNY-KGLIPLIRSA-N 449.524 1.177 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705510823 ZFABPNVWJTXLMB-RDBSUJKOSA-N 437.488 1.848 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1705550372 XDODGPDHNOAGKV-DLBZAZTESA-N 436.516 1.845 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)CC 1705619483 RUWRMISDTJSZGW-MGPUTAFESA-N 437.541 1.828 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705637650 GPMOTXQTVOMJRM-UHFFFAOYSA-N 429.528 1.893 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC(=O)NCCC)CC1 1705650057 JZQISGGRERUYKA-UHFFFAOYSA-N 428.581 1.893 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705902555 GYSPQFOFNZWKOI-SFHVURJKSA-N 440.552 1.208 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(c2ccnn2C)CC1 1705935805 DFPYRFNXCRRTGV-SFHVURJKSA-N 448.593 1.890 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705942707 BAJPFVCLCVTHCH-UHFFFAOYSA-N 427.513 1.910 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O 1708149119 GJWFZGNJWAPJGC-MRXNPFEDSA-N 444.561 1.699 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(C)(C)O 1712646941 JTECPHIAFMFHME-ICSRJNTNSA-N 440.548 1.971 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1712648541 WJMQREDXXFYYJV-PYWIUJKZSA-N 433.534 1.700 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1722316946 OWEKNEBNUJMYMK-GOSISDBHSA-N 433.534 1.580 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1722363096 YXHQMMUEANGBDC-GOSISDBHSA-N 433.582 1.037 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722367146 UXKKTZLLUMAOHH-IBGZPJMESA-N 430.574 1.965 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1722371555 XWMRDVWZFFRPIE-OAQYLSRUSA-N 447.587 1.700 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722396431 GFRPDCYWOMOCSC-FQEVSTJZSA-N 439.585 1.922 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722439355 YWSDUFCBDPPRLQ-UHFFFAOYSA-N 437.592 1.254 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722626429 MNGQDEOCOJBXTD-UHFFFAOYSA-N 443.552 1.451 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1722692882 ZVSDGSVTFNMDIV-UHFFFAOYSA-N 436.516 1.816 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CCC(=O)N1 1722737048 RASYGKIXDCBHRO-MRXNPFEDSA-N 433.538 1.570 30 10 IDEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1723001362 ZRXZBQJNTALMMQ-CALCHBBNSA-N 426.477 1.903 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1723066154 QIVYRJHSSDZYBZ-VQTJNVASSA-N 438.532 1.973 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)n1 1726138248 KLFIAKXLZPGXSH-RTBURBONSA-N 429.525 1.312 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC[C@H]1C 1730387406 LNRZJKCKQGUASJ-XLIONFOSSA-N 438.532 1.927 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1740552979 PQFZFXCBURXFKA-JSGCOSHPSA-N 425.461 1.683 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1740618196 DSYMTMNWDDREGY-RXVVDRJESA-N 427.530 1.604 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740620883 HDAOFJRCMKYEDR-WOJBJXKFSA-N 444.605 1.943 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@](C)(O)CCOC)CC1 1740697069 QKIDBMPQRDVVKO-QFIPXVFZSA-N 433.503 1.690 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1740866170 YQIWMZNBPJVYGY-YLJYHZDGSA-N 439.582 1.584 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1nncn1C 1740990350 RKRMPPGHDABIGF-QGZVFWFLSA-N 442.549 1.719 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1741001678 AWOHZKGQCIMJPN-RDBSUJKOSA-N 428.536 1.214 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1741002734 LPKMHHIXSDNTRM-IRXDYDNUSA-N 441.623 1.767 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1741285598 ZRUWPZCCKAKWOV-HSZRJFAPSA-N 435.532 1.838 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1741517398 BRPUBKIDFVZAHJ-YLJYHZDGSA-N 439.582 1.488 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1741796254 GYPYHJHEFHXUJS-HNNXBMFYSA-N 444.499 1.998 30 10 IDEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 1741950479 AVFISAXISFUSMK-NQIIRXRSSA-N 429.546 1.991 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@H]1O 1748332529 AAQUNAAALBSXDI-QZTJIDSGSA-N 440.504 1.092 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1C 1748665821 VITOBXQUIWKJON-HNNXBMFYSA-N 431.504 1.700 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748812366 UHXZKNQKDKNFIX-HTAPYJJXSA-N 443.573 1.908 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749115784 VYOLXUDBYZXDMM-IKGGRYGDSA-N 445.524 1.667 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749672540 XHILTVMFQUFZHN-KRWDZBQOSA-N 440.523 1.805 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1749680350 JRGALJDSDNXTHR-INIZCTEOSA-N 442.520 1.130 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncc(CC)s2)C1 1749698138 QQFQDVDTGUTZSQ-ZIAGYGMSSA-N 440.595 1.737 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1750992218 MVBVILSRXIDBJA-HSZRJFAPSA-N 437.548 1.642 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1760199132 PWZOHLIQTRNYRP-MRXNPFEDSA-N 428.514 1.470 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1760204595 WGIIARVEQJZPMM-FCQUAONHSA-N 444.495 1.477 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1760225129 IPFBYNYCIMETOG-JMGYQRAPSA-N 437.591 1.275 30 10 IDEE C=CCCOCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1760453365 UGJQXJPQROXYQJ-HMFYCAOWSA-N 433.553 1.770 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760562836 XHARQBRARQDEOF-INIZCTEOSA-N 427.534 1.732 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1766651786 ORLMTFKZFOTYOC-IIBYNOLFSA-N 447.561 1.882 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1766845013 KWVRRPZJWFKJAF-WOJBJXKFSA-N 438.532 1.845 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1COCCO1 1767445444 QNIDBWOEKNADCT-GUYCJALGSA-N 439.289 1.903 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC2CC2)CC1 1767846984 DXSDEUPKGGQWDT-UHFFFAOYSA-N 444.561 1.761 30 10 IDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1767973676 BDSDDJSEBCBHGJ-HNNXBMFYSA-N 432.550 1.712 30 10 IDEE C=CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccccc1F)[C@H]1CCN(C)C1=O 1848787902 OSDYGWIKYLXTAV-SJORKVTESA-N 425.526 1.764 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 1849273675 YFIHQHXZFVRKFN-UHFFFAOYSA-N 438.859 1.951 30 10 IDEE N#C[C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)CCO1 1851045677 KXKUPXPFXWIGES-GOEBONIOSA-N 442.335 1.743 30 10 IDEE CC(C)(CN1CCN(c2ccc(-n3cncn3)nn2)CC1)C(=O)Nc1ccc(C#N)cc1 1851515587 ULSABFPGKIXGIU-UHFFFAOYSA-N 431.504 1.716 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)O[C@@H]3C[C@@H]4C(=O)N(Cc5ccccc5)CC(=O)N4C3)cnc21 1852723386 YTFKKUVCRWSDOF-UYAOXDASSA-N 443.463 1.614 30 10 IDEE N#CCC1CCN([C@H]2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856549852 HITSZDNIGWQKTR-HKUYNNGSSA-N 436.578 1.334 30 10 IDEE COc1cc(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 1860732324 DZSZZVUTGTVPNP-RMKNXTFCSA-N 434.470 1.259 30 10 IDEE CCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)CN1C(=O)c2ccccc2C1=O 1861523006 MPVBFHRODVRHJE-QFBILLFUSA-N 429.517 1.721 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2CC 1864319063 LXDSQMCWKCZTKR-LJQANCHMSA-N 439.516 1.723 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1=O 1874279346 ABDRRUZXLYFJBF-RNDVCUHJSA-N 448.505 1.973 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1965767154 VLQCUVUJCDPNIC-JTQLQIEISA-N 434.316 1.316 30 10 IDEE C=C[C@@]1(CO)COCCN1C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2079209229 WLIUJKGMGPAFJI-FDDCHVKYSA-N 448.516 1.789 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2255601103 WBJSYTMMFLASCE-UHFFFAOYSA-N 434.342 1.842 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255608752 ALOOBGUHLBJMRP-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255628135 DHAIIUDDBGARKV-STQMWFEESA-N 432.330 1.694 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255645348 OSLHENZQVATCMV-HNNXBMFYSA-N 432.330 1.857 30 10 IDEE CC[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255750707 OKNJLOWCUXCBAN-KRWDZBQOSA-N 449.382 1.681 30 10 IDEE COC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2255825807 GEWJZYRPKMKWTG-UHFFFAOYSA-N 427.310 1.843 30 10 IDEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256068291 ZNNRDWGNVIBCSA-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)nc2)OC1(C)C 2258230155 UNXONCXUMHVYHF-UHFFFAOYSA-N 427.232 1.664 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2259181805 ZRKHVTMIUWZTTK-QGZVFWFLSA-N 433.358 1.821 30 10 IDEE CN(Cc1ccccc1)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2267605655 WXXJPBWTRNQSLF-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccccn1 2325918052 RURQPLPMILTVFJ-MRXNPFEDSA-N 435.513 1.649 30 10 IDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@H](O)c2cc(Br)c(Br)o2)CC1 2367825277 PDHWBWWNTCPGBK-WCBMZHEXSA-N 427.114 1.746 30 10 IDEE O=C1/C(=N/n2c(=O)[nH][nH]c2=O)c2cc(Br)ccc2N1Cc1ccc(F)cc1 59159644 IJTIDVLCFOTIFO-HYARGMPZSA-N 432.209 1.566 30 10 IDEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1 59892512 BMVBPRYPBUTDDT-QGMBQPNBSA-N 443.584 1.798 30 10 IDEE Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)cc4)CC3)ccc21 65032571 ZCRWHTDSXKGVRB-UHFFFAOYSA-N 442.522 1.618 30 10 IDEE COc1ccc(C2=C(N3CCN(CCO)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170034461 WJALYKODZVYEFB-UHFFFAOYSA-N 432.480 1.461 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)NC)cc3)cc2C1=O 410067284 UFTDZFIFNMVMAV-CYBMUJFWSA-N 427.482 1.868 30 10 IDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 427403366 HWKSMETVMUAUAG-INIZCTEOSA-N 438.484 1.823 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3c(F)cccc32)CC1 460592034 KZCJDYQPBGSCSE-UHFFFAOYSA-N 442.472 1.120 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCN1CCOCC1 478748762 TWZKCYRQPLBDJG-UHFFFAOYSA-N 443.569 1.652 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 488239535 CLZRVXICOQWJSW-IBGZPJMESA-N 428.489 1.809 30 10 IDEE N#CCCCOc1cccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 497661960 XHFWSAHWOALFCQ-UHFFFAOYSA-N 441.532 1.368 30 10 IDEE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 503627052 SJXSWMHTZYFROQ-UHFFFAOYSA-N 442.497 1.694 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cc1S(=O)(=O)NCC#N 513917449 WMMIPNQIBWCUAN-JOCHJYFZSA-N 427.526 1.963 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 517305064 ZYTDBOGKEFPQBH-UONOGXRCSA-N 430.486 1.377 30 10 IDEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544889921 GUUNSDZHTNLIJB-OAHLLOKOSA-N 428.518 1.454 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)C[C@@H](C)O1 546883351 LFBZALVFMNLSIR-QZTJIDSGSA-N 435.532 1.994 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 549644425 OZCDJTJROXYEKR-LJQANCHMSA-N 445.495 1.809 30 10 IDEE N#Cc1ccnc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)c1 559270206 HQPRPHSQWSHHHI-UHFFFAOYSA-N 427.468 1.887 30 10 IDEE N#Cc1cccc(C(=O)N2CCC[C@H](NC(=O)CCN3C(=O)c4ccccc4C3=O)C2)c1 586025423 ZRLAQDSFPSFXQD-SFHVURJKSA-N 430.464 1.965 30 10 IDEE Cc1c(C#N)c(NC(=O)CN(C)CCN2CCCS2(=O)=O)n(Cc2ccco2)c1C 610615025 KPJKRWNHARTMGK-UHFFFAOYSA-N 433.534 1.524 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)CCN2C1=O 610776443 CUIWDTRPRXYWGV-KRWDZBQOSA-N 448.439 1.179 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 612196806 HHWHMAOJNYKKGW-UHFFFAOYSA-N 425.554 1.360 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 730141092 MJOXPVCJEXHNIS-WBVHZDCISA-N 433.578 1.519 30 10 IDEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 746636022 ANJOZGHGRMIHQM-QGZVFWFLSA-N 426.542 1.848 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)CCN1C1CC1 765187023 YQWQXTSTBFQPKU-SNVBAGLBSA-N 426.296 1.392 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767884837 NKEYGGGRKXHEOI-UHFFFAOYSA-N 433.518 1.353 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(-c3ccccc3C)c2=O)cn1 772278740 NIQXFLOKNLHMAR-MRXNPFEDSA-N 449.536 1.159 30 10 IDEE COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 774666079 TYGMZJXEPXCICE-SFTDATJTSA-N 427.549 1.790 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 777284194 BUNPDGNVTCTQQL-KRWDZBQOSA-N 437.518 1.920 30 10 IDEE C[C@H](CC(=O)N1CCC2(C1)Oc1ccccc1O2)/N=C1/NS(=O)(=O)c2ccccc21 808470894 MCJQCSYZUYMYBI-CQSZACIVSA-N 427.482 1.904 30 10 IDEE CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n[nH]2)cn1 1084107910 AVBPFKAVNWKCKT-UHFFFAOYSA-N 428.478 1.985 30 10 IDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1CCOCC1 1131257008 JZOHOPOERKQNCG-NRFANRHFSA-N 432.542 1.835 30 10 IDEE Cn1c(=O)oc2ccc(CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc21 1132207619 XIXGPFXIUREHHI-MRXNPFEDSA-N 433.424 1.525 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC1 1200175192 TWAABAYGDKHOCK-UHFFFAOYSA-N 425.942 1.557 30 10 IDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1213917151 DINDZXUWWDRMDR-INIZCTEOSA-N 430.571 1.815 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1286387525 GCCCIYLWSMZKMF-IXDOHACOSA-N 434.518 1.013 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286392713 JSPDZSPVNGADKG-GUDVDZBRSA-N 435.594 1.139 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1286433473 VDZRJEFGWZNPKS-UHFFFAOYSA-N 432.569 1.146 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@](C)=O)CC2)CC1 1286478541 GDCLTSDGVXUCDF-PMERELPUSA-N 433.528 1.813 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[S@](=O)CC)CC1 1286479076 JXMNOCOLLKYUOM-WJOKGBTCSA-N 439.545 1.118 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286711708 OTQRKFBTQNKLBY-UXHICEINSA-N 446.596 1.508 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1286797807 BOLQJFICCGIFTJ-KRWDZBQOSA-N 447.561 1.649 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1286815392 UARGYRLEQUCOSR-KRWDZBQOSA-N 429.502 1.417 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C[C@H]1C 1296009136 DRVHLJHYJBMZIV-IAGOWNOFSA-N 425.537 1.784 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)CC1 1297320884 BJNDGAYFSYMWIM-CEXWTWQISA-N 426.908 1.479 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1298534893 AIRTVJMYABHYST-XOMICKMZSA-N 439.520 1.815 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300267903 MBNNZJREUFSXGV-IRXDYDNUSA-N 437.552 1.473 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)CC1 1300700691 UNKPCLPIBUJLFI-LJQANCHMSA-N 448.637 1.200 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1301496827 HUBRUFWWUNXOPF-HNNXBMFYSA-N 441.565 1.321 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnn(C)n2)C1 1301541764 COVDBRJBYIRUCV-CQSZACIVSA-N 430.900 1.960 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1301952043 FYIFPCXPRIOJHI-RHSMWYFYSA-N 432.912 1.873 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2NCC(F)(F)F)CC1 1302924007 HLUJWAPKHXMERW-UHFFFAOYSA-N 438.859 1.540 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(N4CCCS4(=O)=O)CC3)CC2)c1 1312944147 BCVCRUWQLSCYMU-UHFFFAOYSA-N 445.589 1.732 30 10 IDEE CCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1313982761 AELSNQIFUMVVRF-NRFANRHFSA-N 427.484 1.656 30 10 IDEE CC[S@](=O)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314575922 HTOALGUNTDOGHF-HKBQPEDESA-N 437.529 1.567 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1316035273 WASJGQJQELHHTR-UHFFFAOYSA-N 434.504 1.978 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1316360210 QSQJVYOIZBYISQ-LJQANCHMSA-N 447.496 1.110 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1358913243 JENGCXFZBNRZFE-GOSISDBHSA-N 435.594 1.285 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCCC1 1358948387 BJNJBSMQPBVTCK-GOSISDBHSA-N 439.582 1.420 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1c(C)cccc1C 1359024074 DWESZERXGCNGCB-IBGZPJMESA-N 446.573 1.962 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1359024462 NQRLZLOXRSXIGO-FQEVSTJZSA-N 446.573 1.851 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1359027198 ZHFCUFXXVKCWMA-GOSISDBHSA-N 443.529 1.249 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2conc2COC)CC1 1359029802 IBCYAPPQXBGHFW-QFIPXVFZSA-N 444.536 1.257 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC)CC1 1359034751 BSJSHMLPDJXSCZ-QGZVFWFLSA-N 428.924 1.695 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359226395 DZJOEDPXJNOEJA-HKUYNNGSSA-N 432.569 1.511 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359640182 DOGDJMMQIBESMU-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE CC1(C(=O)NCc2nnc3n2CCNC3=O)CCN(c2ccc(Cl)cc2C#N)CC1 1438918349 WDWSFQQGNUICMC-UHFFFAOYSA-N 427.896 1.469 30 10 IDEE CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439797515 QRNLWQGAJZRQDD-XWFZLUIHSA-N 442.541 1.248 30 10 IDEE COc1ccc(CCN2C[C@@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)cc1OC 1440048104 YNCUSWHSKGMBFN-HNNXBMFYSA-N 439.472 1.332 30 10 IDEE N#CCC(=O)N1CCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CC1 1445685415 GUWDQPNIWAFWDV-UHFFFAOYSA-N 436.509 1.391 30 10 IDEE COC(=O)CCNC(=O)CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1462066566 URZZFZNPTLCQAM-UHFFFAOYSA-N 425.489 1.880 30 10 IDEE COc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CCN(c2cnccc2C#N)CC1 1466612037 HIVJTDDYKQCSSK-UHFFFAOYSA-N 430.490 1.687 30 10 IDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c(C)n1-c1ccc(C#N)cc1 1468891932 AMUCDTBUUMGTMR-UHFFFAOYSA-N 429.546 1.966 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 1476058722 HTCWGSOFVVVNSH-UHFFFAOYSA-N 439.497 1.968 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1479158482 IEQWMLIMPOHJBE-RTBURBONSA-N 444.532 1.956 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cs1 1492674846 ISVRCFISIFUKPR-RDTXWAMCSA-N 438.554 1.901 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1504896080 NIHUKRGSRXRUMG-HXUWFJFHSA-N 431.518 1.390 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1507616568 KWSBCNKRUGBGGW-UKRRQHHQSA-N 438.579 1.249 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1507638392 QGQPEHBQKLQDCB-HOTGVXAUSA-N 426.608 1.973 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1507653088 LKHGHJHBGGHXDI-IIBYNOLFSA-N 446.960 1.814 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1507675634 CZSPPPXLQRZBBJ-DENIHFKCSA-N 429.590 1.800 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 1507746094 KRPWMSXNPYANQT-ZDUSSCGKSA-N 442.998 1.940 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507746957 HFZMKKKQPXBCLU-INIZCTEOSA-N 442.545 1.543 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCN(C(C)=O)CC1 1508092819 RJQGKNKEGXNLET-UHFFFAOYSA-N 440.548 1.835 30 10 IDEE C=CCSCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OCC)CCOC1 1508167368 IHOFLCSKGJWKMD-NRFANRHFSA-N 445.593 1.966 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1509782003 XJPIADGNMNMNOS-QAPCUYQASA-N 432.550 1.352 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)CCOC1 1509817016 OJJXILNPUWUONN-XQBPLPMBSA-N 449.552 1.491 30 10 IDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1519031282 VPAOTXVSRWTHTC-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H](C)O1 1520816932 NGKAGQOWROUILT-ACZWYYKOSA-N 427.505 1.882 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCn2cnnn2)cc1 1521094227 CCBPXJXVUDKQEI-OAHLLOKOSA-N 433.398 1.661 30 10 IDEE Cn1nc(I)cc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1522319265 PRZBGFBJSRMCCK-ZDUSSCGKSA-N 449.252 1.822 30 10 IDEE CN(CCOCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1532656244 OKTWVKFVRCJEOW-QGZVFWFLSA-N 430.505 1.911 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1Cl 1535134481 UPJADRAKEOEEOG-AWEZNQCLSA-N 436.855 1.977 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539213324 XVFSYXSUXOHQHH-LJQANCHMSA-N 439.541 1.749 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccn(C)n2)CC1 1539484641 XNGSSXSFANLFBT-UHFFFAOYSA-N 432.532 1.206 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539798450 HSIIGVWXVBEWCG-FUHWJXTLSA-N 443.939 1.330 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1540074224 WTEQQTSBORDLGY-GOSISDBHSA-N 435.550 1.599 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1540170752 PXLRUMNBWXARIB-ZACQAIPSSA-N 427.546 1.928 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SCC)C1 1540871596 PEHBQTFDEHIBEO-HOTGVXAUSA-N 441.623 1.594 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1540871862 VTGKFDIVVDEZCS-HKUYNNGSSA-N 433.553 1.639 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)CCO1 1541073746 CQNHJAYWCWCXOI-OAQYLSRUSA-N 438.532 1.975 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1541118621 DONZBMXXQHTKSF-CQSZACIVSA-N 427.538 1.627 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(=O)N(C)CC)CCOC1 1547861360 GQSINCZWPUWTGB-JOCHJYFZSA-N 426.521 1.917 30 10 IDEE CN1C[C@@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1554353395 XLMZDPUFLQIINC-QHCPKHFHSA-N 444.499 1.912 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)n(C)c1C(=O)NCCO 1556495690 NMJAPYRJXXTOFQ-LBPRGKRZSA-N 429.905 1.425 30 10 IDEE C=C[C@@](C)(O)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1557167081 ONBCLEGGNWFTFI-LJQANCHMSA-N 440.522 1.211 30 10 IDEE C=CC[S@@](=O)(=NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccccc1 1558718269 CEYKTPODPQYWJK-PBYQXAPXSA-N 431.489 1.968 30 10 IDEE C#CCOc1ccc(CNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1 1562355975 SVMDKWCIZOBKGS-UHFFFAOYSA-N 443.529 1.497 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C)CC1 1587898502 QHDNRNQUSDDQJU-OALUTQOASA-N 425.537 1.841 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1 1588638198 PJUAHIQDASEDCE-LLVKDONJSA-N 428.440 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1588811135 ASQCTELBGRYGJR-HXUWFJFHSA-N 443.573 1.130 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CC(OCC)C2)CC1 1588848838 NUVMIKIJWUNCHR-UHFFFAOYSA-N 427.524 1.693 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCCC(C)(C)C2)CC1 1588968672 OOEQEWPPPPXZTM-UHFFFAOYSA-N 430.597 1.902 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1589069619 MSKGFLRIJHTPRX-QAPCUYQASA-N 427.530 1.872 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1589097799 YAYGFJRTJHCGPO-UHFFFAOYSA-N 444.630 1.697 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1595501495 WBNYIYPPWSZYTQ-UHFFFAOYSA-N 439.564 1.020 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1615092570 IFZXGXKHFHKTPZ-HNNXBMFYSA-N 444.492 1.178 30 10 IDEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1617045873 HDXSELVVZFSBLR-HNAYVOBHSA-N 442.561 1.927 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1617969048 BMCPNAIFSCTOGJ-UHFFFAOYSA-N 434.504 1.469 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CCO1 1618708559 BACLYJAHTINZIO-QGZVFWFLSA-N 446.458 1.725 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)c1 1625969434 AFNXJSYRCFDSMR-CAPFRKAQSA-N 425.532 1.263 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(I)cc1-n1cnnn1 1626364508 PKVHKHYAAFEXPN-ABAIWWIYSA-N 439.257 1.978 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1628849591 JNWVRIBIHKLZDY-QUCCMNQESA-N 426.517 1.868 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1629919349 UNYNAQZDKGGXJW-MRXNPFEDSA-N 436.383 1.696 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)cc1 1632291852 FZIWEVMAHPYTLN-OAQYLSRUSA-N 441.553 1.537 30 10 IDEE C[C@@H](CC(=O)NCC1CCN(C2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1632599187 CBZGMHLDBSMVQE-INIZCTEOSA-N 448.589 1.511 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CC#N)n1 1636654262 DRMJYTIKFLNGLB-KRWDZBQOSA-N 430.486 1.816 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1636967226 ZZMBNBGUMVXQRR-IBGZPJMESA-N 442.903 1.861 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1637675054 KITVCJZOQJAFGL-IRXDYDNUSA-N 433.530 1.535 30 10 IDEE Cc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1638299456 UEMROXDIXTXSMM-QGZVFWFLSA-N 427.505 1.886 30 10 IDEE C#CCCN(CCOC)C(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1638958899 ZOBNOLFQWBRQBL-UHFFFAOYSA-N 443.485 1.581 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1640864567 ZRSFHSADNWQNOM-XIRDDKMYSA-N 444.937 1.478 30 10 IDEE CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1641283308 PJQMTPSSCGVAMY-IEBWSBKVSA-N 437.500 1.526 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1641631648 PMHLFRKJPWIFAG-QGZVFWFLSA-N 426.542 1.941 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1 1642832321 WBRNTWNMIBNWFQ-NRFANRHFSA-N 426.498 1.148 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1645455129 XWXFMAIMQHBIDO-QGZVFWFLSA-N 441.594 1.909 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cnc(C#N)c(C#N)n2)C1 1651655016 ZKKIGGOBPQAIRW-YJBOKZPZSA-N 439.520 1.952 30 10 IDEE Cc1nc(=NC(=O)CCc2c(C)nc3[nH]n(C)c(=O)c3c2C)n(-c2ccc(C#N)cc2)[nH]1 1654343749 FJQSUCJUXRZNRN-UHFFFAOYSA-N 430.472 1.632 30 10 IDEE C=CCC1(O)CCN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CC1 1676960378 YCOVNOXYYLIXIE-UHFFFAOYSA-N 430.549 1.960 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CCN(C2CCOCC2)CC1 1683926641 XATRWYWPZVKQEJ-KRWDZBQOSA-N 427.553 1.459 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 1684705871 KXXJFIQKYCTPKL-UHFFFAOYSA-N 432.484 1.900 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689983514 CLHLZCFVWIYPDV-CQSZACIVSA-N 438.912 1.889 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1689986192 KNPAMEQWLFZTGW-GOSISDBHSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1690011338 LGXXUOYQVGEUFE-UHFFFAOYSA-N 432.933 1.611 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnnn1CC1CC1 1690062663 YIAWUEQWLFYDTJ-UHFFFAOYSA-N 444.341 1.950 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(CC)C2)CC1 1690131944 BEXVVHQWFLDNFR-NRFANRHFSA-N 433.560 1.826 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCCC2(C)C)CC1 1690132829 XWEDKTRTJIRZJL-HSZRJFAPSA-N 425.581 1.836 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1690137531 CCLRSFHUMUWMLN-UHFFFAOYSA-N 426.496 1.430 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690469507 ROLOGIORUUXAJB-UHFFFAOYSA-N 440.552 1.996 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1690565443 JYOKUDVMINTEQT-DENIHFKCSA-N 445.589 1.439 30 10 IDEE C[C@H](c1ccccc1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1692647033 QPLURUWOQRBXSJ-ZCGOPPHJSA-N 449.515 1.953 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1693812099 WSJARYMIESUHRT-LIZYVENYSA-N 430.509 1.660 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1696655413 ULCNPMOAGVZRDY-UHFFFAOYSA-N 444.561 1.745 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1698170366 KZFBPJLBGYVGGD-OXJNMPFZSA-N 427.505 1.852 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1705496109 ZWWXXXOPDBUZBC-HOTGVXAUSA-N 437.591 1.682 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705524885 UMKQUFRCQMDJNA-AWEZNQCLSA-N 435.554 1.551 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(NC(C)=O)CC1 1705533523 YHRPZPSKDLRMHI-UHFFFAOYSA-N 436.564 1.970 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705565335 HSYOQEHKSMYKFN-GJZGRUSLSA-N 436.563 1.355 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)C1CCCCC1 1705587952 PSKMAUYRHGSOBI-RXVVDRJESA-N 427.549 1.866 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1705612151 AMHLPZNUPKSKBO-UYAOXDASSA-N 443.573 1.801 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705635545 BLEVYYYBEZFYHM-QGZVFWFLSA-N 432.550 1.026 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705640726 CDCYDYFIGPQZPW-FQEVSTJZSA-N 436.560 1.547 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705650138 LXNHJCHFUAHVBJ-UHFFFAOYSA-N 433.578 1.021 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705737727 YHWRVOUCJDEWDH-SFHVURJKSA-N 431.541 1.778 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1705861998 VXHDIXBOECUUIX-QGZVFWFLSA-N 427.534 1.550 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCN(C)C(=O)C1 1705898433 LPMAGXAPCIZHGB-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC(C)C)CC1 1705907826 YRXUXRHAXZDVSI-UHFFFAOYSA-N 446.577 1.966 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705932622 XATDDVJAHBLDRM-SFHVURJKSA-N 448.593 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1705938314 VEWHBIKZIBRGHN-UHFFFAOYSA-N 439.925 1.048 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1708619827 YAEAPHPRFFIFQZ-WMLDXEAASA-N 427.465 1.887 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1710307608 FWWNMLJAKVQOCF-HNNXBMFYSA-N 425.537 1.797 30 10 IDEE CN(C)CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711015438 AXBFFAVHLBAPIA-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCCN2CCC[C@H]2CO)c1 1712878557 HOCUDHYEEXUPEP-FQEVSTJZSA-N 442.589 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1722447248 KCNNMMZYXIWMCY-UHFFFAOYSA-N 448.571 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722696972 VVRBSBHQUUMWOX-WMLDXEAASA-N 428.924 1.958 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722700969 ASCFKKLKOYZYHM-PKOBYXMFSA-N 438.532 1.089 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2cccc(N3CCOCC3)n2)C1 1722723383 YCXXOXHPKARYAK-LJQANCHMSA-N 428.537 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722729047 DGUPGVORSTZZLS-QZTJIDSGSA-N 444.561 1.112 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722737065 RQNWWHGWSYVNLH-CYBMUJFWSA-N 448.515 1.840 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(CO)c1 1730869350 NKNQIWOHFCHLBB-DYESRHJHSA-N 440.548 1.719 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCn2cc(Br)cn2)C1 1731179798 GFINYKRGNMCAJB-MRXNPFEDSA-N 432.261 1.836 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1740570600 GBFWHSCSOSRSAE-YJBOKZPZSA-N 444.561 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC=C)CC1 1740692815 OAMJUBZVRGSIJU-UHFFFAOYSA-N 434.953 1.350 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(O)(CC)CC)CC1 1740698026 PTXRFQHHRAHUIF-UHFFFAOYSA-N 445.589 1.655 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740946529 XQCPPENWUBFYFF-INIZCTEOSA-N 434.497 1.065 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1740950961 NVZLMLGDWAZDKD-UHFFFAOYSA-N 448.531 1.015 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740954209 GBZFDIUUPRVZMN-UHFFFAOYSA-N 445.483 1.674 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1740993816 CWSXUVNUDPDYNQ-QGZVFWFLSA-N 448.545 1.766 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1741886651 SGJRJIMPCCUXOC-YOEHRIQHSA-N 444.561 1.601 30 10 IDEE CC1=CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1742465806 XGGWWDVQTUENOR-CZIZESTLSA-N 448.487 1.608 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748811813 LUKKSAFBKKVZKR-SFHVURJKSA-N 445.589 1.921 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749031812 JUEZTAJOCGETTH-PKOBYXMFSA-N 429.594 1.592 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1749600024 PMGNHSRNBPEWBG-CVEARBPZSA-N 433.475 1.684 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1749600100 QCPHPXGQCDRGNH-QZTJIDSGSA-N 432.546 1.823 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749676866 GLXDBPHENKNFCU-UHFFFAOYSA-N 435.513 1.768 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1749739613 HRBRVWIPQDTDOR-VQIMIIECSA-N 428.555 1.146 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1750379615 GJSPYYKGRYZBNR-UZLBHIALSA-N 448.524 1.504 30 10 IDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760156320 CHHKCBLNYYGSPM-UHFFFAOYSA-N 448.571 1.748 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760285080 YNWKKLRVFGGALZ-AZUAARDMSA-N 426.590 1.787 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760321806 KKQROQONOOZSFG-ZVDOUQERSA-N 446.596 1.364 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1760412745 QJKMOGUWXJEOTA-HOTGVXAUSA-N 427.571 1.438 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1760464274 DMZPCOXFGBWNMP-AEFFLSMTSA-N 433.534 1.237 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCS(=O)(=O)C1 1760505460 UVWXEONUNMYANV-HNNXBMFYSA-N 425.580 1.707 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761898608 PGCRFXOYDKKRCW-YGCDDZCOSA-N 427.553 1.850 30 10 IDEE Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1762361415 GLPGVSVVEPUJKH-UHFFFAOYSA-N 447.547 1.820 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764772176 ACPDKDVRHRDOAJ-VQNZUBHPSA-N 430.509 1.141 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1766692920 XXBPLKHMNLVEID-UHFFFAOYSA-N 430.578 1.744 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1768538995 DFKGHIAARBTKSH-ADKRDUOOSA-N 447.586 1.741 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1768813309 DCGCCZQRMYWSEI-YSIASYRMSA-N 427.505 1.741 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCOCC2)CCO1 1770749089 UJVXXPRPZDTSKH-QGZVFWFLSA-N 431.928 1.835 30 10 IDEE CS(=O)(=O)N1CCN(CCOC(=O)c2cccc([C@@H](C#N)c3ccccc3)n2)CC1 1851789368 LHAXASXUYIQVQQ-SFHVURJKSA-N 428.514 1.471 30 10 IDEE Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)c(C)c1 1855220282 HRQQCXBWFGLXNF-MRXNPFEDSA-N 426.498 1.940 30 10 IDEE Cc1nccn1CCC(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856360336 GVQQBPCQNVMMLZ-QGZVFWFLSA-N 426.546 1.460 30 10 IDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C(=O)C2)C1 1856868894 WKEZRVXOXLDMBQ-SFHVURJKSA-N 437.537 1.311 30 10 IDEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862633705 NXZVBVKVEKCRQW-SFHVURJKSA-N 442.380 1.990 30 10 IDEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871566263 OHYJHSHIYLNOTD-CQSZACIVSA-N 430.509 1.456 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)n[nH]2)c1C 1891684933 UBEBYXLGIZIUDZ-UHFFFAOYSA-N 434.566 1.868 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902018106 WQCDYMHOYFFKDW-BZUAXINKSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1985786959 UUBJECBAOHWDAG-GJZGRUSLSA-N 428.530 1.965 30 10 IDEE C=CC1(NC(=O)[C@@H]2C[C@H](O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993277640 KWUSIMDHWDGCTQ-CABCVRRESA-N 425.526 1.896 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2064130627 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Cn1cc(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267133816 HLLQKEHWJPZPKK-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(NC(=O)OC(C)(C)C)CCOC1 2267270846 OBJULMHPMLXKPS-JOCHJYFZSA-N 449.357 1.738 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C 2267280384 OWESHWDBQANAGM-MJBXVCDLSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)=C[C@@H]1O 2268714820 MIXFMVOGLQYJKR-CVEARBPZSA-N 445.325 1.904 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2301662873 SZZRDKCRDXKCBV-GFCCVEGCSA-N 441.359 1.712 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[nH]1 2315387865 MYPZDFCSROOQEM-NVXWUHKLSA-N 433.358 1.751 30 10 IDEE C#CCn1ncc(NCCOC2CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2337152141 XJALWMAIQPPOKZ-UHFFFAOYSA-N 427.299 1.687 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2337192255 JTZVSAJUUDMGOJ-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE CC(C)[C@@H]1C[C@](O)(C(=O)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OCc1ccccc1 2370885837 NYCAOVHKFIQAQF-PGRDOPGGSA-N 433.526 1.934 30 10 IDEE C=CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc3c(cc21)OCCO3 13789723 GZENOSUWLBLNOT-FMQUCBEESA-N 437.543 1.759 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOc3ccccc32)CC1 30594493 GWKLXDLESVIQFP-UHFFFAOYSA-N 426.498 1.290 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 102746252 OCFUBTKEFHFCFR-GOBJLOIFSA-N 439.516 1.576 30 10 IDEE Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460770621 QEAWNFNAGPCNRN-UHFFFAOYSA-N 431.499 1.960 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)C1=O 482845819 ICODLRIDLSPNHK-LJQANCHMSA-N 443.544 1.413 30 10 IDEE C=CCCC[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 487772787 VMNOLDPFPKTBIJ-HKUYNNGSSA-N 444.580 1.229 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 504714639 FHELSOJUKWXTND-FUHWJXTLSA-N 433.472 1.338 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)cs1 518720163 HTPZWSKFEFYQFF-OAHLLOKOSA-N 446.598 1.383 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@@H]1CCCO1 518729234 AJARXDBGHRIDOD-KRWDZBQOSA-N 446.532 1.442 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 537839393 HESJANJWNWBDNG-UHFFFAOYSA-N 447.538 1.578 30 10 IDEE C=CC[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 543082068 YPICLAVTWVVOAO-HNNXBMFYSA-N 427.523 1.093 30 10 IDEE CN1CCN(Cc2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)CC1 546171359 AMDMXXVDISNICH-UHFFFAOYSA-N 433.560 1.732 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(OCC(F)(F)F)nc3)CC2)n1 546885686 SNZZOAWIPMQNTC-UHFFFAOYSA-N 427.408 1.800 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3C[C@H](C[C@@H]4COCC(=O)N4)c4ccccc43)cc2)c1N 588775988 XOQPMWVRYMNKOL-FUHWJXTLSA-N 442.479 1.975 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 608981909 UKNKDIVTQFPUPR-UHFFFAOYSA-N 434.543 1.694 30 10 IDEE C#CCN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 729335056 ZBHAOWNLFMRORM-HNNXBMFYSA-N 442.335 1.610 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2cc3c(cc2OCC)C[C@H](C)O3)CC1 733150574 NXSKZHYUSNLSHO-DVBCCOPCSA-N 425.529 1.706 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)NC(C)(C)C 740495172 LTOAZBLCUFIKLS-QGZVFWFLSA-N 447.561 1.209 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 744779593 UGBBARQNDGLZMA-OLZOCXBDSA-N 429.520 1.235 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1 750152137 FQEYNCGSWSKEKG-UHFFFAOYSA-N 426.901 1.636 30 10 IDEE COc1cc(Br)cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 760559009 AICOVPRABAVMKZ-CCEZHUSRSA-N 430.280 1.262 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cnn3ccccc23)c1=O 772280581 WNDNMNIIFIXTSR-UHFFFAOYSA-N 448.479 1.729 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 772481433 KEBKBEFWDOLTIE-PHODEOQFSA-N 439.394 1.790 30 10 IDEE Cc1ccc(I)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 773307420 ANPBHVRHNJJSRH-CQSZACIVSA-N 438.269 1.737 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 775689693 GJCNOXFIJZFQRT-LBPRGKRZSA-N 434.333 1.463 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)/C=C/c3cc4cnn(C(C)C)c4[nH]c3=O)CC2)c1C#N 788535368 BPUBMZFODGJUCD-AATRIKPKSA-N 434.504 1.581 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 789123569 OQLMQQHIBQBCPZ-GOSISDBHSA-N 426.473 1.843 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 918118465 SLRMKMWNJVDQPQ-FQEVSTJZSA-N 447.543 1.687 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C[C@@H]1CCCO1 920832981 UIXRQDASEINBSJ-AWEZNQCLSA-N 448.407 1.625 30 10 IDEE Cc1c(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cnc2c1c(=O)n(C)c(=O)n2C 1132691094 TWVZYQSOOYPBRX-HNNXBMFYSA-N 431.374 1.846 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 1141286167 KLFFZGXRDHAYIT-OAHLLOKOSA-N 445.488 1.876 30 10 IDEE CC(C)(CN1CCOCC1)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1141569254 DQEAXONZWVENNA-UHFFFAOYSA-N 428.512 1.872 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)C(=O)OC 1141994983 FBOMHUVFPYBCTI-CQSZACIVSA-N 445.335 1.821 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1143720032 LNPVKAJQHNRRDN-KXBFYZLASA-N 444.561 1.313 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(OC(C)C)CCOC1 1156353168 QFWGGLZZGRESQF-LAUBAEHRSA-N 437.562 1.984 30 10 IDEE C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@@H]2CCCN(O)C2=O)C[C@@H](C)O1 1159642154 UDWAFTUZLZQGCJ-CKEIUWERSA-N 445.545 1.832 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)s2)CC1 1220244844 YGMSNDOELGUAQZ-UHFFFAOYSA-N 442.954 1.263 30 10 IDEE CN(C)C[C@](C)(C#N)NC(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 1271757537 JOOFQJHQQUSIKY-QFIPXVFZSA-N 440.573 1.921 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCS(=O)(=O)C1 1286276921 ZSNCGSGKLMGVAM-VXGBXAGGSA-N 426.340 1.928 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1286376075 FAAMPYBQQAOQSW-INIZCTEOSA-N 447.527 1.914 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286389134 YNYROZGJKRBXOE-CABCVRRESA-N 441.916 1.605 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286394784 WSWMBLXNYHVPJF-RBUKOAKNSA-N 429.546 1.317 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(COC)c2)CC1 1286470450 YYLVZZKJNREEHK-UHFFFAOYSA-N 445.527 1.875 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1286776680 QVGSXVBOHZJVBL-MRXNPFEDSA-N 444.540 1.389 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2C)C1 1286780721 PWIUHCYISBCRPT-DLBZAZTESA-N 446.577 1.493 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1 1286787773 JJYQIWFXWZFXLC-CABCVRRESA-N 427.596 1.060 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286923005 XOIJVRPBROYOJM-RJCBAWPRSA-N 429.525 1.280 30 10 IDEE CC1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1289024554 VKZIGJNEMUCTAZ-RMYFCYLKSA-N 427.509 1.382 30 10 IDEE C#CC[C@@]1(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)CCCN1C(=O)OC(C)(C)C 1289807077 OLTDBTBLDCHFTA-NRFANRHFSA-N 440.562 1.586 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)N(CC)CC)CC3)n[nH]2)c1C 1290375244 XCHKLHRRYKIWHG-UHFFFAOYSA-N 427.553 1.702 30 10 IDEE CCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)cs1 1292741361 JQOVZQGVEAMFDY-UHFFFAOYSA-N 445.574 1.869 30 10 IDEE CCN1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1296104480 CFIGXHGEGGPKCD-XDOYNYLZSA-N 449.515 1.530 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1296166328 GDDOEKGTJCFGSD-ZFWWWQNUSA-N 449.508 1.627 30 10 IDEE COc1ccc2c(c1)CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1298281393 WIOHOMKFSRTAEV-UHFFFAOYSA-N 429.498 1.935 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1300539123 YNICUDKOLPYBEX-AWEZNQCLSA-N 437.447 1.715 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1302016169 QMHGETLXAQRHRG-QHCPKHFHSA-N 435.532 1.695 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCOCC2)CCO1 1303009283 HLRKZFLZHSHSAW-IBGZPJMESA-N 446.939 1.962 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)CNc2ccc(C#N)cc2)C1 1303451907 ABRZRTNBZRAEQZ-QGZVFWFLSA-N 436.534 1.511 30 10 IDEE C#CC1(O)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1304596377 OOXHNHZAVRNFIW-NSHDSACASA-N 433.349 1.118 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)NCC3(C#N)CCOCC3)c3nccn32)C1 1313358494 JQUUHJKRLPHNSK-OAHLLOKOSA-N 430.509 1.893 30 10 IDEE CN(CC(F)(F)F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1314720972 YHBDRLAXFRFSDD-CYBMUJFWSA-N 448.427 1.122 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)C)C1 1315072302 NLNZXMUBXRENJX-QGZVFWFLSA-N 432.550 1.760 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1348986637 QXKVUTDBANUPJR-GOSISDBHSA-N 442.520 1.118 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1358960342 CDABRZJODJKWLS-HUUCEWRRSA-N 443.558 1.622 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1358960829 MOZGDKBPNKXNSS-UZLBHIALSA-N 445.570 1.869 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358961261 VKISUSOCRPSYAB-GUXCAODWSA-N 432.550 1.159 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CC 1358971662 DNXNZYFUHFOMSW-LJQANCHMSA-N 425.558 1.906 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC 1358978377 KYIAFCLJLWAQID-UHFFFAOYSA-N 434.548 1.297 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1358979656 TYCKIQKWRJCNFL-GOSISDBHSA-N 426.498 1.441 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(C)cn1 1359020071 QEXSQKPLCGDZLY-UHFFFAOYSA-N 442.545 1.640 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1359021094 BGCXBIJENSXVCN-SFHVURJKSA-N 447.499 1.568 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359055680 MFKFHKVSJIKQFY-ROUUACIJSA-N 432.594 1.144 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359089522 KNGRQLXJSQHHLT-QSNWEANLSA-N 433.553 1.782 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOCC1 1359132273 RYVCTFRCZQSMMM-UHFFFAOYSA-N 432.525 1.367 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359297207 ISTPEVMDZCAJBX-KRWDZBQOSA-N 440.548 1.997 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@]1(OC(C)C)CCOC1 1359306109 WALMDZXWWJIXBX-KKSFZXQISA-N 444.540 1.091 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359332422 XDQCAPCDMDEHLA-BBWFWOEESA-N 428.555 1.013 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359343748 ZTITXLXOVIGTIY-OWCLPIDISA-N 439.607 1.156 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1359634488 UOIYXXCOMFNIGL-GOSISDBHSA-N 430.484 1.887 30 10 IDEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OC 1455836508 LSMZGXTXAYJCDC-KRWDZBQOSA-N 428.482 1.474 30 10 IDEE C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccc(F)cc1 1459210115 JRGMDTAZSNBTDU-ZDUSSCGKSA-N 430.436 1.240 30 10 IDEE N#Cc1sc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)nc1Cl 1460001798 HUWRORGCEKQOHC-UHFFFAOYSA-N 432.936 1.932 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OC 1468872952 MDRZEMADJKKVMZ-DZGCQCFKSA-N 428.894 1.092 30 10 IDEE C#C[C@H](NC(=O)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(C)C)C1CCOCC1 1470864306 GRXZXNAIRNGLSG-FPOVZHCZSA-N 431.533 1.303 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)nc1 1471984283 SWNUYHFAKSOHJO-PMACEKPBSA-N 440.548 1.069 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cnccn2)n1CC(F)(F)F 1494135775 HBWHZXULNAZBDL-GFCCVEGCSA-N 430.398 1.674 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1503240394 ZQSRHQBZHQFGES-VFNWGFHPSA-N 444.561 1.554 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1504822989 GUNBCCKZMOWNLS-UHFFFAOYSA-N 439.520 1.427 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1nccnc1C 1504995240 QJNJWXFDCPICMU-MJGOQNOKSA-N 440.552 1.520 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1505027357 OYHBAIHNOJOHCE-JJCDCTGGSA-N 429.546 1.970 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1505075039 WITIBLFBYHTFOG-WJPUGNRLSA-N 442.524 1.285 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507624538 BFXGTEOIIXWSAH-DLBZAZTESA-N 436.509 1.565 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507632315 ZCMCRAIETIRRPI-OALUTQOASA-N 447.609 1.282 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)COC)CC1 1507739613 CVDSAMZACNIXQR-UHFFFAOYSA-N 441.580 1.778 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507803838 HIMPDQZWAUNQIA-TZIWHRDSSA-N 446.596 1.364 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1507833246 FWIJHZWIADXHTN-UHFFFAOYSA-N 426.481 1.606 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1507982315 MAHLYUQWSIIUMC-KGLIPLIRSA-N 426.568 1.493 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1508118184 QFMUATXYXVNYCT-ICSRJNTNSA-N 441.580 1.997 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1517453047 OUYBKXOVGFWYDS-HNNXBMFYSA-N 435.488 1.544 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519050462 WFDARYSVJBAWGX-JOCHJYFZSA-N 448.575 1.962 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CCO1 1521128325 BCIBJLLUBIWXTD-SJLPKXTDSA-N 431.518 1.378 30 10 IDEE C#CCN(C(=O)C[C@H]1C(=O)Nc2c(Br)cccc21)[C@H]1CCS(=O)(=O)C1 1537469581 YPRFNVHRDIKJOM-WCQYABFASA-N 425.304 1.524 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1538547694 PYLMLLZMSWZQMV-UHFFFAOYSA-N 443.485 1.089 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1539171164 HKITTXITLKZCNR-QHCPKHFHSA-N 435.532 1.201 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)N(C)C)CCCC1 1539232373 AIXVCMREPMFDIE-UHFFFAOYSA-N 433.516 1.647 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCN(CC)CC1 1539252169 ZQTNAIATASLOHU-HXUWFJFHSA-N 448.571 1.815 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1539257345 IGADUCHIPOUDRI-QZTJIDSGSA-N 430.512 1.937 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1539295552 CQKJFKDLZPHNDX-QGZVFWFLSA-N 440.573 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1539295692 DYJCQPSIMRATPK-KRWDZBQOSA-N 429.546 1.717 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1539751855 WLHGVCQRODLAFW-SJORKVTESA-N 439.582 1.268 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1539951549 RKULPCWNTXIHLN-MRXNPFEDSA-N 443.566 1.770 30 10 IDEE COC(=O)[C@H]1CCCN(CC(=O)Oc2ccc(C#N)cc2I)C1=O 1540190484 VLCDBWKIANPIAB-NSHDSACASA-N 442.209 1.480 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540866031 ALDDFGJXCOHEAO-MRXNPFEDSA-N 429.912 1.457 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CC(N)=O)CC1 1540867100 KLDRYAMREMRBIC-UHFFFAOYSA-N 433.516 1.887 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540868893 VOZAKHYXWCFDEZ-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1540870662 STALPOUELBJLRI-JKSUJKDBSA-N 445.524 1.559 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540872913 FOMSAPOFXXFFTP-QAPCUYQASA-N 445.593 1.093 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1541275980 MGSXNUNLYXEGFB-INIZCTEOSA-N 426.477 1.565 30 10 IDEE Nc1c(I)cc(F)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978772 XKBXPOZAHCGEBK-SQFISAMPSA-N 444.204 1.269 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 1544079242 RHSJCBWMCDIXSV-UHFFFAOYSA-N 447.557 1.041 30 10 IDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCNC(=O)C(C)C 1546527405 DURREBRHJHZJKT-UHFFFAOYSA-N 426.525 1.676 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1557459098 IYWAMOAQVQOACA-HNNXBMFYSA-N 448.570 1.586 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1B1OC(C)(C)C(C)(C)O1 1586848517 ALNPCDNEJXPEFY-UHFFFAOYSA-N 436.364 1.933 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588046061 WENUEDABCCWSRQ-LJQANCHMSA-N 442.589 1.841 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(=O)NCC)CC1 1588849075 XYBPNKMPXUVMPJ-UHFFFAOYSA-N 448.575 1.434 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589089002 MKZPSQLJKNRNQD-UHFFFAOYSA-N 434.591 1.148 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1589116035 BRFWDYOTGIZWQG-INIZCTEOSA-N 429.546 1.899 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1589494175 KNURKHFFOMXITI-YVSFHVDLSA-N 427.571 1.485 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1593691102 QVHNSLFQWRYBQQ-HXUWFJFHSA-N 437.566 1.122 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595555547 BVVSIKLREAOWIV-VGOFRKELSA-N 426.521 1.340 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595884774 SSWIRKHWIDWFTM-IAGOWNOFSA-N 441.623 1.404 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H]1N1CCOCC1 1612917346 LGZOAJMNFZQMAI-APWZRJJASA-N 444.561 1.018 30 10 IDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1613342493 INUCCIVWQMFYGW-HZPDHXFCSA-N 429.525 1.775 30 10 IDEE CCCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1614585157 UNVAYPIREPXRMQ-ZWKOTPCHSA-N 440.552 1.975 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1624906927 YCPVVNMDQNLTAP-AWEZNQCLSA-N 425.850 1.566 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)s1 1630218742 ONHJXFJUWGDFER-UHFFFAOYSA-N 449.602 1.947 30 10 IDEE C[C@@H](CC(=O)NCc1cc(O)nc(C2CCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 1634469428 RLIREPXQDSAUHA-LBPRGKRZSA-N 429.502 1.583 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304339 LUQSIMLTZLLHHZ-OEAJRASXSA-N 440.418 1.836 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@]3(CO)CCc4ccccc43)C2=O)cc1 1639705294 VDZSJHLEEJUJDE-HYBUGGRVSA-N 432.480 1.756 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cccc2c1OCCO2 1645256749 LJTZHBLYMCMJLO-UHFFFAOYSA-N 429.498 1.635 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3c[nH]cc(I)c3=O)CC2=O)cc1 1645566246 BYODQCCERDXFDK-NSHDSACASA-N 448.220 1.843 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)C2)c(=O)nc1O 1648028789 ODJDYCCEEWAKTH-HXUWFJFHSA-N 443.463 1.765 30 10 IDEE C[C@@H]1CCc2ccccc2N1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652998961 ZVBIZZLVEMYNCI-OAHLLOKOSA-N 438.484 1.591 30 10 IDEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1654036867 NXEAVWYUPRLNDZ-OAHLLOKOSA-N 427.929 1.657 30 10 IDEE C#CCN(CCNS(=O)(=O)c1cnn(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1655586858 FHNNVXJPQZHMIR-UHFFFAOYSA-N 425.555 1.033 30 10 IDEE COC(=O)[C@]1(N2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)CCOC1 1659497984 HIZZFSHVSGWFIY-SZNDQCEHSA-N 432.546 1.385 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)cc2OCC)CC1 1667808028 SRWWIUAUNRAESP-UHFFFAOYSA-N 445.339 1.465 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 1677094913 UJOXNQHXCXRXKZ-NSHDSACASA-N 437.324 1.988 30 10 IDEE CS(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682021274 CVGLBEKSAKIRHT-SFHVURJKSA-N 426.498 1.562 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1689988383 NYGGFFYVDCRELS-KRWDZBQOSA-N 432.550 1.425 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690019878 TVQJXVXVMHXZOF-GOSISDBHSA-N 427.530 1.153 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(N(C)C)CCOCC2)CC1 1690114956 MOQAYYOTEXKIKR-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC(C)CC2)CC1 1690130569 IJJAHCCXFYMJHV-UHFFFAOYSA-N 441.624 1.668 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CC 1690621881 CALYEXVIBPUPSD-ZWKOTPCHSA-N 425.599 1.693 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1690653435 QSLKCRJMJSWCAQ-CVDCTZTESA-N 446.596 1.639 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1690655187 JYKVWWAYTQITFL-INIZCTEOSA-N 443.577 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1690669233 YOQLMCHKJZOILF-INIZCTEOSA-N 440.552 1.416 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1690676906 IIXCBHUGEARHJP-UHFFFAOYSA-N 427.549 1.999 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690740418 UWRCTHSLGNZCHZ-INIZCTEOSA-N 429.594 1.982 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1691004126 OUYAHOPVBFVYKO-RHSMWYFYSA-N 434.522 1.326 30 10 IDEE CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1693736720 CHENLTNYGPDXFM-ROUUACIJSA-N 436.582 1.031 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)c2ccccc2)CCOC1 1696023412 GBGFDJVEIHIEOP-UTKZUKDTSA-N 447.561 2.000 30 10 IDEE CCOCc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696291803 VXFSPKKGSDPRGA-OQLSDQBISA-N 444.536 1.736 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1696806219 KWACBSZJBPORKB-UHFFFAOYSA-N 439.520 1.656 30 10 IDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1698278145 CJLSOOXTMGUBSB-LJQANCHMSA-N 445.545 1.779 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1705495506 QSJPLTTWPUCHTD-QWHCGFSZSA-N 437.488 1.657 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1705533744 ZLMYBOYHOMOXPU-SFTDATJTSA-N 439.560 1.757 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2cnn(C)c2)n1 1705631321 AESOPBNMXXFUGC-IBGZPJMESA-N 438.536 1.437 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C(=O)NC 1705700743 XUCLGKWGIUBHJS-DOXZYTNZSA-N 444.536 1.805 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2scnc2C)C1 1705915359 JXTIOBVFOMSLFH-CABCVRRESA-N 440.595 1.677 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1706069356 AUPVMMZWGIEXLQ-ZWKOTPCHSA-N 444.584 1.053 30 10 IDEE CCCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709682499 JITVIORLNNWNHV-RURFIKTLSA-N 432.525 1.691 30 10 IDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1=O 1710259045 XYTMKTWZISRCGY-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(N(C)C)c2)CCOC1 1710482095 AJJREUYNXFGSOZ-KNQAVFIVSA-N 426.521 1.773 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)OC 1712152405 BVKIHEFEUOSFAM-WVBUVRCRSA-N 427.505 1.862 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1722368185 PJXZCXQHZFMWAW-OXJNMPFZSA-N 426.583 1.281 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCS1(=O)=O 1722426838 DFMCLMPIWRASHX-KSZLIROESA-N 440.566 1.055 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H](C)C2)CC1 1722432425 XNRDIWHDLVKALU-LJQANCHMSA-N 436.564 1.413 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1722441470 RFIKNWIEKWHJBN-UHFFFAOYSA-N 448.493 1.887 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1722623188 YOJMGUJOJUGNOQ-CQSZACIVSA-N 436.538 1.144 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1)C1CC1 1722646449 IAEGDJJOASVOHO-NSHDSACASA-N 427.481 1.819 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722698923 PGICQKYFPGSWSI-FOIQADDNSA-N 439.582 1.124 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1722700719 RQKFEHSZEOEYKD-GOSISDBHSA-N 434.500 1.842 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)CCO1 1731190071 ORVUOILELRKPSC-FUHWJXTLSA-N 433.509 1.681 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccccc2)CC1 1740598633 YCINIMKOBZTHGO-UHFFFAOYSA-N 435.576 1.796 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)NC)CC1 1740691820 NVODFRCNFHOIBN-UHFFFAOYSA-N 440.932 1.042 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)F)CC1 1740700749 GORQBKLXEPTDQA-UHFFFAOYSA-N 435.410 1.454 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740992833 OKECPSXHHZLSIO-DYESRHJHSA-N 447.561 1.249 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1741063676 HJQFBOTXKASPCB-JXFKEZNVSA-N 446.508 1.629 30 10 IDEE CC(C)(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741239805 HHAJBTUYSPUFFP-WBVHZDCISA-N 436.582 1.172 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1747607074 KPRVVJJKFROIOL-IBGZPJMESA-N 449.537 1.027 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1OC 1748669707 HTSQCSGDLIXTKF-IERDGZPVSA-N 429.477 1.497 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1748745612 UVPGPDYHAGPGQJ-QGZVFWFLSA-N 436.516 1.847 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1 1748776988 UXDUDMILWQVNSW-QGZVFWFLSA-N 433.534 1.070 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748810671 ZIBFTCBTFXFXFV-QUCCMNQESA-N 442.541 1.926 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748811417 GPRZNFGLQGCRLR-ZWKOTPCHSA-N 443.577 1.094 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748820903 JDQVPFKPDSXIKL-LJQANCHMSA-N 448.593 1.582 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1748929213 GSKBOXTXSBTXBS-OAHLLOKOSA-N 435.516 1.914 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1749020214 OQPUHZGLIJEMPM-QGZVFWFLSA-N 444.561 1.922 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749354632 VPUVWFXXIPNFPC-KGLIPLIRSA-N 433.600 1.114 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749367104 QBBSFQGXWOZXSP-INIZCTEOSA-N 430.553 1.312 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 1749401607 AOFTXMVZDRTERN-KSZLIROESA-N 441.598 1.971 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749457431 RJGYGFXUMBSUDT-IBGZPJMESA-N 442.568 1.268 30 10 IDEE C=CCn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749642665 ZTHDZLAKIXISOU-RBSFLKMASA-N 441.554 1.127 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)cc2C1 1749669351 JUSFLLSVUSLZEM-HNNXBMFYSA-N 449.964 1.699 30 10 IDEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750108935 VQQQHYLJSWYWQN-GOSISDBHSA-N 427.509 1.038 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1760136773 BQJFVIWJCRCWJQ-YLJYHZDGSA-N 439.582 1.420 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSCC(C)C)CC1 1760261591 OBCMPOPPQADWEG-GOSISDBHSA-N 439.651 1.715 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760273018 ZIQBIFQGIPHPCJ-HZPDHXFCSA-N 430.534 1.532 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccc(C)c2)CC1 1760382267 MUQXUSZPOFNDAJ-KRWDZBQOSA-N 446.577 1.783 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760448688 MJZJZESZVOCEAW-UHFFFAOYSA-N 430.557 1.855 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760511902 OFNALQUVXROIKO-UHFFFAOYSA-N 449.562 1.460 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C2CCC2)CC1 1760528156 UDSAFNXUGPLTJT-UHFFFAOYSA-N 440.548 1.842 30 10 IDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761037708 OIHQKLJGCARMMA-QBEKEKFNSA-N 438.536 1.180 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCO[C@@H]1C 1761244583 PPWOXXDXUXSEFI-NZQNYPKQSA-N 438.532 1.700 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1764562707 HKKWLKDTBQGOLK-NRFANRHFSA-N 442.545 1.358 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)C[C@H]1O 1767920158 NNOJDZRNHLCAAU-QKYXUNIQSA-N 438.532 1.660 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1769409667 BVEHBDIMEBAEQD-VFNWGFHPSA-N 429.477 1.831 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)CCO1 1770746492 AOPWNLQWSHGQAY-CABCVRRESA-N 437.472 1.430 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(CC3CC3)n2CCSCCCO)CC1 1771534148 PAHIAYPRHUQHND-UHFFFAOYSA-N 427.578 1.939 30 10 IDEE C=CCN(C(=O)c1cnc(N(C)C)c(I)c1)[C@H]1CCN(C)C1=O 1848883526 CAGXGTLQORLJBF-ZDUSSCGKSA-N 428.274 1.611 30 10 IDEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CC(Oc4cccnc4C#N)C3)n2)c1 1849826082 GPRKLMDXVRZVDJ-UHFFFAOYSA-N 447.451 1.484 30 10 IDEE Cn1c(NC(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)cc(=O)n(C)c1=O 1853079414 ATCGBQYVPCOAPA-LJQANCHMSA-N 443.463 1.682 30 10 IDEE C=CCN1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)CC1 1853341807 YBGICFCJWMSNKB-UHFFFAOYSA-N 439.299 1.614 30 10 IDEE N#C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1853389531 JHHQIWQVSMKASO-FZMZJTMJSA-N 426.292 1.501 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(F)cc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734417 OMVWSEMWIXQXMO-ZDUSSCGKSA-N 433.436 1.827 30 10 IDEE CC(=O)Nc1ccc(-c2nc([C@@H](C#N)C(=O)CN3CCN(CCO)CC3)sc2C)cc1 1872797177 BWTZKOAAVDHVTM-IBGZPJMESA-N 441.557 1.863 30 10 IDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)c(O)c1 1874471014 SSTXZYJNBVSQLH-DJKKODMXSA-N 434.503 1.948 30 10 IDEE CC(C)COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cn1 1890068053 ACAAGVJSLZBCMH-UHFFFAOYSA-N 428.577 1.988 30 10 IDEE C=CCO[C@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](O)[C@H](OC(=O)C(C)(C)C)[C@H]1NC(C)=O 1911531586 VKRXRSNZDUEZJR-HHARLNAUSA-N 429.510 1.327 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1ncc(Br)cc1C#N 2118200198 BOJQGPSAQKCZJH-KRWDZBQOSA-N 427.299 1.808 30 10 IDEE 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1.938 30 10 IDEE Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)cc1S(=O)(=O)NCC#N 482341764 CMXIOXDFCUSSNQ-HNNXBMFYSA-N 437.468 1.656 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 485933889 PNTBOURFCHYSTJ-INIZCTEOSA-N 449.935 1.911 30 10 IDEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)N1CCN(c2ncccc2C#N)CC1 489363787 WQOQIBYYDGHVCV-UHFFFAOYSA-N 429.502 1.861 30 10 IDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)N4CCSCC4)n(C)c3=O)cc2s1 491583049 FOHDUVLWFGQZDX-UHFFFAOYSA-N 442.591 1.443 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 508889559 SYNLHAXQPKCGRQ-CVEARBPZSA-N 447.565 1.633 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)CC1 512714142 NDUDJFQUBUFXGO-OAQYLSRUSA-N 439.560 1.298 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 514329420 BIGUYPFIHWSAAW-INIZCTEOSA-N 442.497 1.026 30 10 IDEE Cc1cnn(Cc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)no2)c1 535895888 QCJNLJMDGQFBSG-UHFFFAOYSA-N 440.485 1.246 30 10 IDEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549257145 VWHLPKRBRUEROH-UHFFFAOYSA-N 427.557 1.702 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(N)=O 589159134 IDBVBMWILPXDOX-UHFFFAOYSA-N 447.516 1.407 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1=O 590233248 FOSRTCBOTIXUBX-PRWKNARSSA-N 431.518 1.692 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 603798535 MSPLIFAKASXEEX-MRXNPFEDSA-N 442.497 1.025 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccccc1C#N 604002071 KGUKJHPOIWHJSG-UHFFFAOYSA-N 448.454 1.854 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H](C(=O)OC)C3)nnc12 608909891 CJZFLYGSXGLMQA-AWEZNQCLSA-N 441.513 1.734 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465515 HAMJDRNQTUWZSF-IAFNSTAXSA-N 435.525 1.848 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665134 XXFHBTDHGLXZFT-HKUYNNGSSA-N 436.603 1.594 30 10 IDEE 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CCCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771582747 NGSCCCBWYFISJV-NYHFZMIOSA-N 428.489 1.786 30 10 IDEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1[C@@H]2CCCO[C@@H]21 780309632 NFHXCUKDBWMAAF-JPLJXNOCSA-N 431.514 1.934 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@H]1CCCO1 782588661 LXUSTBQIGQWQRG-CQSZACIVSA-N 444.582 1.452 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)c3cc(Br)ccc32)n1 788366853 PQIVHWFKTHTDRA-UHFFFAOYSA-N 431.290 1.914 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@H](O)c2ccccc2)cc1Br 788443113 SQPHXGROHMKMIN-LSDHHAIUSA-N 425.260 1.786 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NC[C@@H]3CN(CC(C)C)CCO3)CC2)o1 796278689 JSQCFLPDWVNJOA-GOSISDBHSA-N 447.536 1.087 30 10 IDEE Cc1nsc(N2CCN(C(=O)C3=NO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 812271774 SPKUVEFYASMWCI-ZDUSSCGKSA-N 434.522 1.641 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856615860 FFQJPDCARXQIDS-RCCFBDPRSA-N 429.521 1.951 30 10 IDEE CCN(C)Cc1cc(O[C@H]2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)ccn1 856636165 YCHUSRKHHRSNQU-VEGAHXMMSA-N 427.505 1.430 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 917804111 DDOWAPMESSWYJZ-KQWNVCNZSA-N 449.533 1.549 30 10 IDEE CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1124611326 GAUPMBGGXRJMRS-KRWDZBQOSA-N 438.550 1.939 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C4(C#N)CCSCC4)CC3)C2=O)n(C)n1 1128002614 YXSTYIUFOFFJHA-QGZVFWFLSA-N 430.578 1.405 30 10 IDEE Cc1occc1C(=O)Nc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1134645747 UEKNXROTTDYEPA-KPZWWZAWSA-N 434.499 1.236 30 10 IDEE Cn1cc(C(=O)NCCNc2ccc(C#N)cn2)c(CN2C(=O)c3ccccc3C2=O)n1 1136174555 SSQCDSUISFGFLE-UHFFFAOYSA-N 429.440 1.325 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NCC)cc2)c1 1137311663 RNLXBMVMISVGQK-UHFFFAOYSA-N 434.539 1.712 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 1143501311 ZSSOMEJIVFIEOM-VQIMIIECSA-N 435.546 1.332 30 10 IDEE O=Cc1cnc2c(Br)cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn12 1144429196 OEGQEBJTPLCXQJ-VKAVYKQESA-N 432.234 1.166 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 1171268978 ALUAESNLTNFZRA-PPRRPXPPSA-N 437.587 1.796 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)s1 1171743374 BUNISHZNCAJNOW-INIZCTEOSA-N 428.576 1.942 30 10 IDEE COCCOC1(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCOCC1 1225937279 IXGVMQLBRUTALF-CVEARBPZSA-N 426.514 1.257 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)CC#N)CC2)cc1 1229841626 DPSHEJFMSPCJGM-UHFFFAOYSA-N 436.534 1.819 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1286297492 BVGGXLIYYOAJRX-KDOFPFPSSA-N 439.545 1.780 30 10 IDEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1286333979 DYXQVPITQNPMNE-IBGZPJMESA-N 427.505 1.620 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1286448531 XJLIFWWXDCEUCD-IBGZPJMESA-N 425.537 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1286495277 ZFTRDUUVKQWGFE-GAJHUEQPSA-N 444.580 1.163 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1286522240 IGWFGCPNVUTLQK-LVCYWYKZSA-N 436.578 1.616 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1286538112 JCKGRVCXKJDVEK-CYBMUJFWSA-N 428.331 1.973 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1286628429 HMNLGDRHMWBJDO-OAHLLOKOSA-N 431.990 1.480 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286705005 MTILSXIIDLPVRE-FPOVZHCZSA-N 446.596 1.713 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286792371 VXQHTWIWBNJMRR-MRXNPFEDSA-N 442.520 1.130 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1286801895 JTHRQMNBHQCTQV-IBGZPJMESA-N 436.516 1.880 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)C1 1286809642 KGVUCZSBLIRBHK-HOTGVXAUSA-N 436.538 1.286 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)cc1 1288169826 KOJUHTWYCJQWRK-IBGZPJMESA-N 439.520 1.030 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(c3nccs3)CC2)s1 1292120846 RREPUOXWHLVMJR-UHFFFAOYSA-N 426.589 1.950 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 1292822044 DPZWKMIAWINYKG-OAHLLOKOSA-N 445.497 1.677 30 10 IDEE CCCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1294380999 OCCQAQICADVKOA-SFHVURJKSA-N 439.520 1.751 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1294879444 BFNFGBMCDXHESD-UHFFFAOYSA-N 435.532 1.838 30 10 IDEE CCN1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296206815 TWEUMAATKKSVJG-SFHVURJKSA-N 444.971 1.750 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1298101422 AOPOVIPCLIINIJ-AWEZNQCLSA-N 429.506 1.047 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1300276731 QEGNDEMYVITBFP-LLVKDONJSA-N 429.344 1.385 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301478098 HZFGAOVYLFQXIV-QGZVFWFLSA-N 428.541 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1301595807 BAEWWOXKCXNPFA-YLJYHZDGSA-N 441.598 1.061 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1302139826 KJMCMUMKBOLDBV-KRWDZBQOSA-N 439.520 1.828 30 10 IDEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1302504812 CJNPHLARERFWTF-JJCDCTGGSA-N 431.497 1.669 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO 1303436571 HHWHYJMOSLHRJQ-HXUWFJFHSA-N 439.564 1.624 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1303651662 CRCVPIQZMCFUHY-CJNGLKHVSA-N 434.447 1.853 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 1308016272 CSKGIEHGQVUNSJ-UHFFFAOYSA-N 426.498 1.629 30 10 IDEE Cc1ccc([C@H](Cn2ccnc2)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)c1 1312350753 LWVIVUGQXDURSI-HFSMHLIXSA-N 427.530 1.821 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)cc1 1312921507 NMWFBAKJWZRODR-UHFFFAOYSA-N 428.514 1.977 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(S(C)(=O)=O)cc2)cn1 1314898097 FZWQSKYGDOFJBA-QGZVFWFLSA-N 441.517 1.054 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1358874898 GBXLAVWVTNHLLO-CSODHUTKSA-N 441.523 1.744 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1358977768 VNBWPVRPKBIVAZ-ROUUACIJSA-N 426.471 1.883 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1358994559 QBIVNJKQDPSDCA-GOSISDBHSA-N 449.540 1.272 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359053952 FRLWYMGZANGKHO-UHFFFAOYSA-N 442.593 1.771 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359061823 NDRMCLPEVCQQCP-UHFFFAOYSA-N 431.610 1.854 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1359121604 YSUWFDLZKRCVIF-AZUAARDMSA-N 440.548 1.367 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)c1ccc(C)cc1 1359326456 AFYIOTJPWBIMBK-OAHLLOKOSA-N 441.579 1.565 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1359329144 ZXXDFUIMXFERFL-NRFANRHFSA-N 448.545 1.550 30 10 IDEE Cc1ccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)cc1S(=O)(=O)NCC#N 1452352176 BMFDOLHIVDHKGK-UHFFFAOYSA-N 429.502 1.224 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)cc1S(=O)(=O)NCC#N 1453167479 QMNGHSQCCKJMRH-UHFFFAOYSA-N 443.407 1.458 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H]1NC(=O)C(F)(F)F 1454057482 QRNNVSWSIDXBPI-YGRLFVJLSA-N 435.399 1.652 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1455202382 ICWKZDBLLDLIKS-HNNXBMFYSA-N 429.970 1.723 30 10 IDEE CCc1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499009918 WUKVBDLONVIDQT-XUTLUUPISA-N 436.520 1.391 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1507721093 YFXOZCYPHOCXAP-AUSIDOKSSA-N 445.564 1.875 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NC(C)C)CC1 1507743075 YMODXHNXPFGGNA-UHFFFAOYSA-N 436.560 1.668 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1507943449 IJYPKLZOQRTJRZ-HNNXBMFYSA-N 439.586 1.239 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1507984464 XKMHKGQJVHVZIO-LPHOPBHVSA-N 429.587 1.420 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508091644 WEUBDZTYOYHOLM-SJORKVTESA-N 448.568 1.920 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCC(F)(F)F)C1 1508128570 OLRCQMRFZSNIMH-DZKIICNBSA-N 447.458 1.462 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)CC)C1 1508130929 XQLKVUFORXOFPV-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1509957190 VOCAWDJDGVCAGX-HOTGVXAUSA-N 442.611 1.289 30 10 IDEE CCc1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513869528 LWXNEKOSIKZJCU-SQJPUDIVSA-N 440.479 1.604 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C 1528153957 TVHABSKWAXPRDR-MRXNPFEDSA-N 429.521 1.548 30 10 IDEE Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1531787364 SORMOWAUAYBOLN-TZMCWYRMSA-N 428.411 1.890 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539053511 UDWNQXHEGZAARF-DLBZAZTESA-N 433.582 1.809 30 10 IDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539221033 XYUUMVSOCLAIOT-FCEWJHQRSA-N 446.529 1.452 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539224842 IYXCTZMOHDLUNJ-UXHICEINSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539284282 LGPVTJQXLQMCJN-OAQYLSRUSA-N 432.528 1.551 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCCC1 1539406315 YJMZNYJDQPIKNA-UHFFFAOYSA-N 425.489 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1539484304 KJPVXPNFXVYVDG-UHFFFAOYSA-N 429.484 1.743 30 10 IDEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539505559 YOAXBIBBORSHMS-GOSISDBHSA-N 438.557 1.021 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1539744833 YFFUUWIPHXLFGU-GOSISDBHSA-N 436.520 1.415 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)c3ccco3)CC2)s1 1540623838 AYCZWJQYKRDZIG-UHFFFAOYSA-N 437.543 1.769 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1540877024 IMTZXDYLVBESCI-QHCPKHFHSA-N 438.532 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1540901791 PKDQOWPXIADGCR-UHFFFAOYSA-N 446.533 1.737 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCOC2)C1 1540907400 VLPNJBYHXQNHFU-HXUWFJFHSA-N 434.566 1.357 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1564846809 CHIUFIBGSLTSMN-UHFFFAOYSA-N 430.933 1.450 30 10 IDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1565064146 YVZCDZNVUVOWJB-HCXYKTFWSA-N 428.599 1.803 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccnc1C 1587931941 GJFKXYBUFYSZON-UHFFFAOYSA-N 439.545 1.606 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1588055055 RWRNMSOUSIQFGK-OALUTQOASA-N 438.594 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1588185821 NUZUQZHRRWWQHG-OAQYLSRUSA-N 436.578 1.606 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1588245852 SLSRKBOYDGLCRY-HXUWFJFHSA-N 440.569 1.970 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1588266306 OBZVKIHWTCJTSX-SJORKVTESA-N 430.578 1.799 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1588574938 WROGODAFTPJCMA-SJLPKXTDSA-N 446.577 1.489 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(O)CCN(C(C)C)CC2)CC1 1588968760 PWOKBQCBHIBSDU-UHFFFAOYSA-N 446.596 1.016 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1595788953 LRNDTHFYYDZIKZ-UHFFFAOYSA-N 436.582 1.484 30 10 IDEE CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613493666 ZDUOZRJIPKGUCK-KRWDZBQOSA-N 439.520 1.969 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCCn1cc(CO)nn1 1619413080 DZCFFICFWHVXID-UHFFFAOYSA-N 436.520 1.792 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1619852641 RMFNARJWTLVYCE-UHFFFAOYSA-N 435.488 1.422 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)C1 1620345549 FBJHDZQGWJXQBR-HNNXBMFYSA-N 435.265 1.554 30 10 IDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1627232069 KZQFHONGYYPSIC-PMACEKPBSA-N 445.479 1.463 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)ccc1Br 1632218549 DVAXCCGKEZVBLG-MRXNPFEDSA-N 438.303 1.774 30 10 IDEE CCN(CC)CC(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1632980000 LYKBNPRYLGSAIQ-UHFFFAOYSA-N 434.581 1.650 30 10 IDEE Cc1cc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nn1CCC#N 1633072005 ZWOGEHBDYQASAK-CQSZACIVSA-N 425.511 1.468 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 1635092515 UHPIIIZAQJALPF-QGZVFWFLSA-N 447.540 1.597 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1635607953 ZKPCPLTUAAFJGG-JKSUJKDBSA-N 432.864 1.954 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2cnc3c(c2)NC(=O)CN3C)c(=O)c1C#N 1638643742 CVIONVAQRFUWFC-UHFFFAOYSA-N 431.250 1.267 30 10 IDEE C=CCNc1ncc(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 1638910342 VWCBOMDFPBWKCQ-UHFFFAOYSA-N 425.492 1.700 30 10 IDEE COC(=O)c1cnc(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 1639830166 XVKBPVGJEMQGDO-UHFFFAOYSA-N 436.515 1.107 30 10 IDEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1643596277 HWANZPIZAKXARQ-IBGZPJMESA-N 429.586 1.744 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)COC1 1646043829 CGWBCNRIMCEUBS-AWEZNQCLSA-N 426.514 1.983 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2cccnc2N2CCC[C@H]2C1 1649195100 GECLTYYTAIEUJF-QAPCUYQASA-N 425.514 1.631 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)n1CCO 1652166644 GZJMWHXOMHHTBB-UHFFFAOYSA-N 434.452 1.400 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1=O 1652960473 UUOIAXNRPOVRMY-OAQYLSRUSA-N 430.464 1.048 30 10 IDEE N#Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(=O)c1 1652962059 GTHJITGOCLPSGA-UHFFFAOYSA-N 440.525 1.132 30 10 IDEE C#CCC1(NC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)CCOCC1 1659014117 MOEVJCLHLPSBPJ-UHFFFAOYSA-N 427.549 1.591 30 10 IDEE C#CCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1679098140 YBCKJHKEMHGJKF-LJQANCHMSA-N 435.613 1.914 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1689932295 XBQJXZFXXZMTQG-QFBILLFUSA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690000772 BFRWQASQQVLMDP-KNQAVFIVSA-N 426.542 1.442 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1690034859 UOEWBXSBYALGKQ-HSZRJFAPSA-N 427.549 1.842 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1690109199 JZXLYDYMSWSWRY-IBGZPJMESA-N 427.597 1.390 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690188233 FXNKVKVPJXXFOI-LJQANCHMSA-N 429.594 1.942 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1690250513 ILALCXJEJVPIOR-SPEDKVCISA-N 444.580 1.877 30 10 IDEE C=C(C)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690298395 WMTMVMBRICLZKL-WCXIOVBPSA-N 449.552 1.985 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1690313607 YVHWLTAUDOIOAX-JCYILVPMSA-N 445.561 1.388 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690668910 NESFTNCHHHLGGV-KDURUIRLSA-N 438.488 1.752 30 10 IDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1692876218 DDDPNTLFVRCOHX-KSSFIOAISA-N 426.518 1.243 30 10 IDEE CCOCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1696390794 AAEZZTWGSJBRFV-IBGZPJMESA-N 438.532 1.975 30 10 IDEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1696816954 XCXZHHLZVKIFHN-WMZOPIPTSA-N 436.582 1.173 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COC)CC1=O 1698085069 FNYSYKNIHZIFLW-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE COCCOCCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698224668 JKFOICKNWDQJIL-GOSISDBHSA-N 428.493 1.718 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCCCC2)cc1 1698487980 IFBPSUVALIAZCW-UHFFFAOYSA-N 428.562 1.928 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCN(CC)CC1 1705550384 XUKXSRJOVSLZKS-UHFFFAOYSA-N 448.575 1.289 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705566689 PKTGLWZOQSGTCU-INIZCTEOSA-N 434.591 1.965 30 10 IDEE C#CCN(c1nnc(CC)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705569700 GAMIOPGSMNZLSI-HNNXBMFYSA-N 439.582 1.771 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705571378 YNZAKARSNOALCR-RBUKOAKNSA-N 448.520 1.050 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccn(C)n2)CC1 1705650703 WUYGKWGLZPYVCQ-UHFFFAOYSA-N 438.561 1.381 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2CCOCC2)CC1 1705650874 BDRMANJAWMDRKL-UHFFFAOYSA-N 442.564 1.183 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC2)CC1 1705652587 FSYAUVALXCIMQM-PMACEKPBSA-N 444.580 1.064 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1705751892 AXSRDBRYTYXBMQ-MRXNPFEDSA-N 448.959 1.151 30 10 IDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1705830123 JPMGJHUTNPAKDU-LJQANCHMSA-N 442.520 1.845 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](OC)C(C)(C)C1 1705901462 MFQFZHAWNKKVDT-INIZCTEOSA-N 437.504 1.757 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1706056940 BGCPWNYUYINBRY-LJQANCHMSA-N 436.520 1.383 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOCC2)CCOC1 1706671357 DMONCZIRXZPCRG-SFTDATJTSA-N 436.532 1.483 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C#N)c1 1711416028 GSWCPDHELCYBSB-AWEZNQCLSA-N 426.506 1.287 30 10 IDEE COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1712467521 GBNZNWUSZGSCSG-IIBYNOLFSA-N 431.541 1.041 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CCC 1722427781 ZJWIMJUFEBHQLP-ZACQAIPSSA-N 425.555 1.058 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722445182 SXKLSWXAHBYBHR-STSQHVNTSA-N 447.580 1.519 30 10 IDEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1722564748 FROVDKIFPULWGV-UHFFFAOYSA-N 443.533 1.642 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722600307 MJZZAUBCLCJKSS-MRXNPFEDSA-N 426.525 1.711 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1722726458 FQYHZFMRAAYRGM-UHFFFAOYSA-N 426.546 1.955 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC[C@@H]1CCOC1 1726406273 NVGADIVPYMHKGW-WMZOPIPTSA-N 426.525 1.407 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCCOC2)C1 1729222976 VFGFVRJCWSXWLB-OAQYLSRUSA-N 444.561 1.763 30 10 IDEE COCCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1730921734 FJGWJGDBTOJYSR-KRWDZBQOSA-N 425.555 1.363 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCN1CCN(Cc2ccccc2)CC1 1740545920 TXBGHUDZTCGMOY-HXUWFJFHSA-N 432.576 1.954 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1740583622 UXYIHBGXFMANOY-INIZCTEOSA-N 443.577 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC(=O)N(C)C)CC1 1740706539 ZPZUTEMDSARNTR-SFHVURJKSA-N 430.553 1.006 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740867306 FDNNRIISOWHGJN-HXUWFJFHSA-N 430.534 1.907 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740868365 JUBOSLUFJIMUCD-OAHLLOKOSA-N 442.586 1.912 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740956404 LIMJBVYASCUXAV-GDBMZVCRSA-N 433.896 1.261 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740959981 IHLQSQJEMBQIHT-ZCNNSNEGSA-N 445.612 1.079 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 1740966110 PLSNOFQCCLUGCU-SOLBZPMBSA-N 442.568 1.969 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740992101 ARBXYWKIAOAPLR-INIZCTEOSA-N 449.552 1.666 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1741876640 DDCFFPKNOHVQRW-IBGZPJMESA-N 440.548 1.924 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@H]1C 1743173745 AKCXLAZXGZTDEA-IRXDYDNUSA-N 444.561 1.999 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ncc(CC)s2)CCOC1 1746732866 BZPBFGYENJXOMW-MGPUTAFESA-N 432.550 1.921 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748901885 CPFBJMHCCGVWQM-LJQANCHMSA-N 441.557 1.891 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1748962763 PNKSANCBNAEJLH-HXUWFJFHSA-N 446.573 1.851 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749043558 IVDDRPCMQJSRMD-HUUCEWRRSA-N 427.596 1.025 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1749229893 QNBOFYALLDQCHW-ZWKOTPCHSA-N 441.598 1.686 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1751278537 ICCIWUYBIHHSIE-KGLIPLIRSA-N 429.493 1.734 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760119863 DXWYOFMZXKFNDK-NFFVOIMASA-N 434.500 1.884 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760145981 ZCRIKWSARFKCJI-KBPBESRZSA-N 437.488 1.849 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1760192697 WVJJLWOYFUSVGI-IBGZPJMESA-N 430.578 1.924 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCC2)CC1 1760269576 LUNLSVQLTCTQQA-SFHVURJKSA-N 447.605 1.726 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)CC2CC2)CC1 1760269961 QNCXBJCNFMACGL-UHFFFAOYSA-N 433.578 1.336 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760279518 BCGOKHCMVYJJTL-KRWDZBQOSA-N 436.545 1.189 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1760450839 UDYRTYSVHNBQBM-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760451105 ZWSGBFNUAJCENZ-UXHICEINSA-N 446.596 1.855 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1760495708 VGPQVHZLQYZHTD-HNNXBMFYSA-N 427.596 1.685 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1760504770 BBSQDQYVALMCME-MBOZVWFJSA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@@H](C)C1 1760520263 IHBASYNZCTTWMV-KRWDZBQOSA-N 428.537 1.413 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)C)C1 1760521901 HDFLASBAIRKEMJ-RBUKOAKNSA-N 427.505 1.954 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1760524005 MVWVXJLSQLUUTH-GOSISDBHSA-N 436.520 1.415 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)CCOC1 1761287903 XUULDNBFRCJJBE-JOCHJYFZSA-N 446.552 1.308 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1761361128 AZGKCYUTGONVSJ-DJJJIMSYSA-N 439.488 1.435 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@@H]1CCCO1 1766335521 DRGYMNHZWMFLDR-SFHVURJKSA-N 442.520 1.935 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769393276 TYODUTXDWSYOQI-KIJUOZEOSA-N 428.493 1.461 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1849167481 NUNKTMSJNKEZPX-QFBILLFUSA-N 435.546 1.341 30 10 IDEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CC(Oc4cccnc4C#N)C3)n2)cc1OC 1849826882 REGVLJNSUHTNCF-UHFFFAOYSA-N 447.451 1.484 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 1852655156 VIZWXPNHZUOFFD-KRWDZBQOSA-N 442.379 1.932 30 10 IDEE C[C@@H](CC(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1ccnc1 1856305939 FGOMYSOQIRTIPI-DLBZAZTESA-N 426.546 1.713 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(C)n1 1870008056 DONJPKFGDQQPOS-UHFFFAOYSA-N 425.405 1.136 30 10 IDEE CCOC(=O)c1sc(C2=C(N)N(CCCN3CCCC3=O)CC2=O)nc1C(F)(F)F 1873528329 SBUDKFVIHNEESN-UHFFFAOYSA-N 446.451 1.863 30 10 IDEE C=CCC1(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1984990955 QODRXTPWBXJVOG-UHFFFAOYSA-N 425.526 1.898 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248400850 BOVNJXJWRCZJLJ-UHFFFAOYSA-N 440.371 1.893 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248414894 QXQHPEWVBSNKCS-ZDUSSCGKSA-N 441.359 1.598 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCO1 2255628373 HDOVRRDHDWHZLV-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)ns2)OC1(C)C 2255837679 SWVCKTUALDPGBR-LLVKDONJSA-N 447.288 1.973 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255842746 WYSDELKKWAETOL-KBPBESRZSA-N 434.346 1.610 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256891035 JXJBFWRASNDKRX-CABCVRRESA-N 437.321 1.984 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267138927 YZUMULSHDWQRDL-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE CCc1nn(C)c(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267143820 NGRAFGSJBYHKQS-DZGCQCFKSA-N 448.373 1.925 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267222571 BVOCTOHYDYBPMT-WFASDCNBSA-N 441.259 1.910 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2267260202 KWHFJNSZJBVNHZ-OKILXGFUSA-N 449.361 1.538 30 10 IDEE Cn1cc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2267495061 XIYHUUACWDDJKZ-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE Cn1cc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267522899 ZNMGGLQLRBSTQZ-UHFFFAOYSA-N 446.357 1.943 30 10 IDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(=O)(=O)C1CC2(C1)OCCO2 2277960207 FQHRRBMWBRNWLJ-UHFFFAOYSA-N 429.369 1.714 30 10 IDEE N#Cc1ccc2c(c1)CCN2S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286029135 KKMHDSULDZEDCD-KRWDZBQOSA-N 429.454 1.630 30 10 IDEE Cn1nc(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2334270802 SGZBLLFBUFNBCM-IJEWVQPXSA-N 446.357 1.847 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 2337206002 GUQZUFSTLZUMEN-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE C[C@@H](NC(=O)CSc1nnc(N/N=C/c2ccc(O)cc2O)n1N)c1ccccc1 20292383 VFDHVYCHZBCBQX-FZTAQKCPSA-N 427.490 1.819 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)c(OC)c1 21324864 CAEBALUWYSDRQQ-FSJBWODESA-N 442.505 1.971 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 426819674 YYYDGASJPDQYSF-GOSISDBHSA-N 448.545 1.302 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 436240309 QQRDMNRTAAQCBH-JQHSSLGASA-N 432.546 1.522 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446630251 FAKGNRJTVVZEBT-UHFFFAOYSA-N 426.521 1.273 30 10 IDEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 462086030 VNPKKLUXRRJCBO-QGZVFWFLSA-N 431.504 1.866 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488830329 SSOWXOZLUXGJSE-UHFFFAOYSA-N 442.494 1.388 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1C#N 489079329 SFXIXEQXZZFCKE-UHFFFAOYSA-N 426.545 1.455 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCO)Cc2cc(Br)cs2)CC1 494289708 DXDJXJMYVLQHTK-KRWDZBQOSA-N 443.411 1.997 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 500944606 RCYBTRITIFNSRT-UHFFFAOYSA-N 427.482 1.549 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 512718120 JCELVCNENUZRHY-UHFFFAOYSA-N 433.559 1.446 30 10 IDEE CCCNC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 525472465 QCBXXEBEIIBNBU-UHFFFAOYSA-N 440.525 1.845 30 10 IDEE COCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 538135318 SXEJMPLRBZYTAN-UHFFFAOYSA-N 435.527 1.400 30 10 IDEE COC(=O)c1ccccc1OCCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 542926947 BRYMXAIIHWSECJ-UHFFFAOYSA-N 429.498 1.730 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 549639611 OVBJADSEIVWYCT-UHFFFAOYSA-N 428.541 1.898 30 10 IDEE N#Cc1ncn(CCNC(=O)NCc2ccc(I)cc2Cl)n1 554129517 HYNUCHIOHBESKD-UHFFFAOYSA-N 430.637 1.907 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(C#N)c(OC)c2)c1 558555665 MKQNLNSHEKRFKG-UHFFFAOYSA-N 432.502 1.075 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(S(=O)(=O)N(C)C)CC1 580604312 FKRKOMUOMFXSMP-INIZCTEOSA-N 439.607 1.691 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c(F)c1 586824776 KMPNHYQQYMBFAJ-HXUWFJFHSA-N 428.439 1.642 30 10 IDEE COC(=O)[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)Cc1cccc(F)c1 609414430 HHXGMPKTYYZUES-QGZVFWFLSA-N 447.488 1.698 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccccc2)C1 619819043 BSJCVEQHSYLXQA-LPHOPBHVSA-N 434.497 1.101 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cc1C 679753511 SYHZLOLYEQHYEN-UHFFFAOYSA-N 439.537 1.283 30 10 IDEE CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C 729670561 WCYJWPZQZGZABT-UHFFFAOYSA-N 445.504 1.635 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)N1CCN(Cc2ccccc2)CC1 733857721 PUVABSFDKIUMMH-KRWDZBQOSA-N 428.514 1.504 30 10 IDEE C[C@H](CC(=O)NCc1nccn1CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 742628662 SRLUYWQNVFIHHX-LLVKDONJSA-N 429.424 1.579 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 751922019 LNTLNZRKZPHHDM-WBVHZDCISA-N 433.578 1.437 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 753058792 FHUFQSPXBBSAIJ-NSYZGTTESA-N 435.484 1.652 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3)c2=O)c[nH]1 753356421 CKPMLALPHRDLLW-UHFFFAOYSA-N 433.489 1.886 30 10 IDEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ncn(C)n2)C1=O 768422995 WDBGGRZIIBZCGL-MRXNPFEDSA-N 447.540 1.544 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774233513 JOEXQXWQOAPJMD-IXDOHACOSA-N 427.567 1.902 30 10 IDEE Cc1ccc(NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 780213055 CBXHWLLZXBMISU-LJQANCHMSA-N 431.470 1.332 30 10 IDEE CC(C)c1nnc2n1CCN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)[C@H]2C 784691970 AUVSURQXTYYPGD-KGLIPLIRSA-N 430.534 1.822 30 10 IDEE C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 803698751 ZAKDSYBCAKEFRO-QGZVFWFLSA-N 446.525 1.549 30 10 IDEE C#CCN=c1nc(N2CCC(c3ncc[nH]3)CC2)[nH]c(N2CCC(c3ncc[nH]3)CC2)n1 804398392 WVAQXPZNOKWDQQ-UHFFFAOYSA-N 432.536 1.553 30 10 IDEE CSC[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 916774689 BZSKLBWQOCFFMV-BRWVUGGUSA-N 449.554 1.411 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)n1C[C@@H]1CCCO1 917768350 KUZCZQAMMYBQSD-SFHVURJKSA-N 437.912 1.955 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1CCN(S(C)(=O)=O)CC1 928979059 CMUOMJNTSINDLS-HNNXBMFYSA-N 437.518 1.545 30 10 IDEE Cc1ccc(C(=O)CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)cc1 1084538177 LJBBSCCAVXHWGM-UHFFFAOYSA-N 428.522 1.527 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1 1129126897 LZKCDGHFGPTWST-VGOFRKELSA-N 448.541 1.597 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccc(C#N)s1 1129864871 BPQJTHBIZROLLA-UHFFFAOYSA-N 448.570 1.885 30 10 IDEE CC[C@H](C#N)N(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1134207995 AGLFJDAQBAXZAE-CQSZACIVSA-N 425.507 1.489 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1136924884 AICHKXQATYVDCV-QPJJXVBHSA-N 431.508 1.485 30 10 IDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(=O)/C=C\c1ccc(F)cc1 1142426865 UJURYUCHJXNUAT-WCIBSUBMSA-N 435.433 1.753 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1165489182 JCVIEYKMQXONIJ-HKUYNNGSSA-N 432.521 1.716 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1286323298 JOJOZWIFDRGGKZ-SFHVURJKSA-N 443.577 1.409 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286361913 UZJDOBJYLPYFBT-IIBYNOLFSA-N 448.545 1.436 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1286374885 QTQFUQNFDRJQEL-IBGZPJMESA-N 436.564 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCOCC1 1286419505 ZMGPNUQEMUGKRK-UHFFFAOYSA-N 428.581 1.770 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2C[C@H]2C)n1 1286469648 KXNGQPBUUDBIKX-SJLPKXTDSA-N 434.504 1.989 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC(C)C)CC1 1286494789 PURSPGRYJGHALS-OALUTQOASA-N 433.553 1.393 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286711924 REFVAGRUZISRCY-MOPGFXCFSA-N 432.569 1.118 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C)c2ccccc2C1 1286781067 USCFEEVVBVQCIF-KRWDZBQOSA-N 428.537 1.761 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286782895 CJMNYHXYNKXVGH-RDJZCZTQSA-N 443.460 1.379 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286786327 BQJPZFMMVJMRSN-JOCHJYFZSA-N 434.504 1.135 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286788308 ULQZPTXAUYDLQZ-IRXDYDNUSA-N 448.568 1.968 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1286893764 GYVPHCNNWSHAHI-AWEZNQCLSA-N 445.549 1.635 30 10 IDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290889210 XRKCRJHZJLOESK-GEXZYOHASA-N 433.472 1.563 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 1294213400 YYHILPRBGXMTOG-SOLBZPMBSA-N 447.536 1.764 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1295606405 ABPKPBFYWTXXQU-DYESRHJHSA-N 440.562 1.489 30 10 IDEE CN(C[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1298553294 ABIOSDCKUGGAGY-MAUKXSAKSA-N 448.549 1.750 30 10 IDEE C=CCn1cc(CNC(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)nn1 1299675453 SMGOTCBFIHJEMU-UHFFFAOYSA-N 427.509 1.846 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1300295253 BYRRZZLPYFGLPJ-GOSISDBHSA-N 428.493 1.463 30 10 IDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1300464464 FTPFELUFWHNYGJ-GOSISDBHSA-N 433.534 1.532 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1300983967 TYHWEWYBHISNEN-UHFFFAOYSA-N 428.541 1.655 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2ccc(O)cc2C1 1301478073 HMVUITFUCJJPEG-UHFFFAOYSA-N 426.521 1.767 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC2(CC1)OCCO2 1301509902 PJUUPBHHZKBTNW-UHFFFAOYSA-N 443.552 1.564 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301578504 CJEVQZPZNFBQHY-UWJYYQICSA-N 447.561 1.634 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1301806265 ALDUKFFAIDAQNC-OAHLLOKOSA-N 449.556 1.899 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1302138826 BTSDPVDSABIDLJ-SFHVURJKSA-N 439.520 1.828 30 10 IDEE COc1n[nH]c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1Br 1302793001 DZNJPXQFZDFUKG-QMMMGPOBSA-N 428.268 1.358 30 10 IDEE C#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1309162877 ADYKYRCZPAMSOU-SFHVURJKSA-N 427.530 1.242 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1314885630 CAJOLKQDMYLRTP-UHFFFAOYSA-N 435.460 1.937 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1315979818 GGGXCJBTQSVRCH-FCHUYYIVSA-N 442.520 1.218 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1316191358 UQTKIXVOVDLQFK-QFBILLFUSA-N 439.582 1.957 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1358919253 XTWIDYMERMAUMA-LJQANCHMSA-N 443.596 1.353 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1359018468 QYRWUOIKDQSPGG-SFHVURJKSA-N 441.536 1.001 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1cnn(C)n1 1359021627 VLKSJIKSQKADBE-UHFFFAOYSA-N 437.504 1.564 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1359024498 ONBODTPGSKEIFJ-INIZCTEOSA-N 436.509 1.462 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359083238 FRMLRRIWRLJUBN-RBSFLKMASA-N 444.399 1.762 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359133633 WNWAFKWEIDOHJX-SQGPQFPESA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)C)CC1 1359298967 QLTHVTFZLMHPTK-UHFFFAOYSA-N 436.520 1.427 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1359306559 KMWGWJXAHSCMOP-QGZVFWFLSA-N 443.508 1.127 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359330059 FHYDNKWMVVLWQN-AWEZNQCLSA-N 431.440 1.708 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 1437438405 CDSYXUQBAXSBLE-UHFFFAOYSA-N 449.573 1.250 30 10 IDEE N#Cc1cc(F)c(OC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(Br)c1 1461774128 DUYONSPRMONVRY-UXOAXIEHSA-N 437.221 1.918 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1469435801 RCSJGUMFKGQHMY-UOJCXKCYSA-N 434.518 1.349 30 10 IDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1470593603 PMUBXOCSHYVMMF-CYBMUJFWSA-N 445.501 1.031 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCC[C@H]1C 1503108376 FOVWINDGJPDVLZ-JLHGSKIFSA-N 440.552 1.742 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1503618972 BPVPKZUUYUNAPP-QFIPXVFZSA-N 426.521 1.391 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cc1 1504230157 CMOUBMMFHMSFEQ-OAQYLSRUSA-N 448.527 1.856 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CCO1 1504724008 YSCYTYWUHUBNIW-UXHICEINSA-N 427.505 1.864 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504815311 TUZINJUBKSLMDA-FQEVSTJZSA-N 438.580 1.793 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507737038 XGSNGSMLEXSYLL-UHFFFAOYSA-N 429.546 1.167 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC2(C)C)CC1 1507739065 LUCUFAGZAQQRKN-IRXDYDNUSA-N 433.578 1.192 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1507863408 FEZXYMGUTZBUQG-IUODEOHRSA-N 438.941 1.827 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1507978299 IRLCFCMMPNNZFH-UHFFFAOYSA-N 437.548 1.925 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 1508074436 NBPOVOKVZWDQAH-CABCVRRESA-N 431.468 1.859 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1508115589 BRGGTJDNEUQZFP-PMACEKPBSA-N 429.569 1.817 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)CC1 1508156162 VJMXKMLSQQHWSI-UHFFFAOYSA-N 434.566 1.693 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508533312 TVKHEELWESXNRI-MCYOWCNASA-N 441.536 1.064 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2Cc2ccc(C(N)=O)nc2)n1 1511681944 GLCYYCPXNHCXPA-UHFFFAOYSA-N 433.520 1.812 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516849213 BIEBIOALSMBCEJ-QGZVFWFLSA-N 449.606 1.046 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1539178092 DQSDFIMUVIIEQK-MRXNPFEDSA-N 439.582 1.772 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539219405 CEVNIPCVISPUAJ-XGHQBKJUSA-N 448.545 1.647 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539221574 QCBDLKPKQCBFLR-RTBURBONSA-N 444.557 1.796 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539229711 HKJFZRHWBBYASQ-LJQANCHMSA-N 443.573 1.215 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1cc(CO)nn1 1539249974 HEXRGUNTMHQMBW-UHFFFAOYSA-N 439.907 1.854 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1539489269 KFGQCBYIRLOZPP-UHFFFAOYSA-N 444.527 1.955 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1539626271 CBJKTDMBHWELHO-WMZOPIPTSA-N 429.525 1.938 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1540871922 XGEJNPFBZPSSTN-SFHVURJKSA-N 443.523 1.797 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2nc(C)cc2C)C1 1540892021 CYVBXOWXFWIKBL-OALUTQOASA-N 448.593 1.865 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 1540976334 BSHIEMUAPMLJNS-OAQYLSRUSA-N 425.466 1.791 30 10 IDEE CN(Cc1ncc(Cl)n1C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1554198123 CTVMQGTVVDGTSL-UHFFFAOYSA-N 433.925 1.885 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccsc2)C1 1555812272 CBQUWMXPQGWFFN-MRXNPFEDSA-N 436.563 1.461 30 10 IDEE N#Cc1ccc(C2(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CCC2)cc1 1557225768 AWENUAJWCUPHAN-UHFFFAOYSA-N 438.509 1.488 30 10 IDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)C1 1558140260 BMHKRBDCMDBDCV-GFCCVEGCSA-N 445.310 1.704 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1=O 1561513766 REOLPMLAULMSRZ-QGZVFWFLSA-N 433.530 1.357 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@@H]3C[C@H]3CCOC3)C2=O)cc1 1585475931 CRTQIYRPTCZFNM-NZSAHSFTSA-N 426.473 1.417 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)CC 1587579965 LTRKWTUAQXOKSW-AWEZNQCLSA-N 436.534 1.864 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1587759211 QLXGRTUZDOWGPC-LJQANCHMSA-N 436.516 1.701 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccn(CC)c1=O 1587932378 QUNVSOCJPMVNAK-UHFFFAOYSA-N 425.514 1.648 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1588054251 MPKUVGVFPUUQBQ-CVEARBPZSA-N 449.602 1.866 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588064142 BJJUFMZMSJBORV-MRXNPFEDSA-N 434.591 1.846 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1588144026 QSKJYWIXFJSMJX-UHFFFAOYSA-N 430.505 1.021 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(=O)(=O)CC 1588259165 SSQUUXXVQFQDMM-RTBURBONSA-N 449.621 1.989 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1594732220 AAFYYYGMOLYYJG-MSOLQXFVSA-N 441.598 1.830 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1595297322 OTIZRLLOHICELR-UHFFFAOYSA-N 432.525 1.949 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1595659372 WXLPZIFAXCAAKH-ICSRJNTNSA-N 441.532 1.736 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1598207438 BQXYBHSCMLVSCX-KRWDZBQOSA-N 435.521 1.757 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1610131132 SULIUTWOHQNHCK-OAQYLSRUSA-N 449.559 1.808 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1610904784 VYKRSTOVDUBOBH-IERDGZPVSA-N 432.525 1.093 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)C1 1612938961 UKXVVYSVHUEHAW-TUPYQCFKSA-N 441.536 1.628 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC 1615666405 FOEDXLJVTSZJBS-RBUKOAKNSA-N 447.561 1.739 30 10 IDEE CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1617326940 GGHKDUAOQZDZMA-MRXNPFEDSA-N 428.518 1.514 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCCNS(C)(=O)=O 1617909080 ZFJWOPZOGGATEE-UHFFFAOYSA-N 439.545 1.711 30 10 IDEE CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1F 1618232930 GEDLOSXKUQVGMN-NVXWUHKLSA-N 427.484 1.624 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCn3c(Cc4ccccc4F)nnc3C2)CC1 1619799881 SRWVCHUBMYBFCA-HXUWFJFHSA-N 439.539 1.516 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)OC)c1 1624375277 PKUQWUNTPUGPOW-LJQANCHMSA-N 433.457 1.973 30 10 IDEE CC1(C)CCc2sc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)c(C#N)c21 1626504740 AYSAEBJUGUJOKE-LLVKDONJSA-N 434.543 1.948 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 1627015565 VWROMKLLUDHPNW-UHFFFAOYSA-N 431.251 1.938 30 10 IDEE C[C@H](CC(=O)NC[C@@H](c1ccccc1)c1nc[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 1627460931 AHNCCFBRENOENW-PBHICJAKSA-N 438.513 1.570 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](n3cccn3)C(F)(F)F)CC2)cc1 1629484545 ARFOPHVZGKHTQV-MRXNPFEDSA-N 441.435 1.781 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 1630614607 NSPBFFNHEPVCPR-QGZVFWFLSA-N 427.526 1.863 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](c4cc(O)nc(O)n4)C3)CC2=O)cc1Cl 1631833223 VRULQAWTNOLCCF-CHWSQXEVSA-N 427.848 1.782 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)s1 1631843509 FKPBEMUQLZHJPI-HNNXBMFYSA-N 448.526 1.144 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CC2)CCOC1 1633317967 YKXMPRRBAVOVKM-NRFANRHFSA-N 432.546 1.447 30 10 IDEE C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1=O 1636223961 IYUUHXQYSXAFPI-CXAGYDPISA-N 427.436 1.218 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1637890861 PVLJBIZFFJCIMG-INIZCTEOSA-N 437.537 1.696 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@H](C)SC[C@H]3C(=O)NCCC(=O)OC)cc2C1=O 1638590144 CDEKQVILGGRPRU-LRDDRELGSA-N 445.497 1.052 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC3(CCO)CN(C(=O)OC(C)(C)C)C3)cc2C1=O 1642994595 QODZCYHKOLPUIP-UHFFFAOYSA-N 429.473 1.570 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1648275864 PHIZXEUMBGGQHK-ZWKOTPCHSA-N 443.610 1.957 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(n3c(O)nc4cccnc43)CC2)CC1 1648327352 FJLQYYABWZCRKU-IBGZPJMESA-N 425.537 1.466 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1651805510 LTMOONCTMHAFNB-GBXCKJPGSA-N 444.535 1.714 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1 1652449454 MUKOGPOMRZEZAP-UHFFFAOYSA-N 439.560 1.725 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)NCC1(N2CCOCC2)CCOCC1 1664326932 CMXUULLDPGZFNJ-UHFFFAOYSA-N 444.351 1.480 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[C@@H]1N1CCN(C)CC1 1668051450 BUDDLRWSFAOZIU-YOEHRIQHSA-N 441.395 1.967 30 10 IDEE CCN1C[C@H](CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 1674196790 PKZUIOCMSACTJN-AWEZNQCLSA-N 427.484 1.565 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 1675691852 GFBRQPAMXGGTIA-UHFFFAOYSA-N 447.908 1.014 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690170968 SPQDYDZUVIYYJK-ZDUSSCGKSA-N 448.490 1.618 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690669436 FPORUXOTUPHKFD-MRXNPFEDSA-N 434.541 1.578 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690743947 HPUCLOZBBFBHAG-IAGOWNOFSA-N 441.623 1.452 30 10 IDEE CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1690967964 UEIJKUMOLYAIRC-FQEVSTJZSA-N 447.902 1.830 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1CN1CC[C@H](O)C1 1690993099 FCGQLWGYZSHECR-PXNSSMCTSA-N 439.564 1.627 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1705495923 XOCJGVGYNRJCPQ-LPHOPBHVSA-N 447.561 1.516 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)N1CCOCC1 1705530863 XNFBYOMJEVXNIV-UHFFFAOYSA-N 433.516 1.839 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1705567742 YVRWNDUWMDJTSN-OALUTQOASA-N 437.610 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1705589243 MXGQHPBTIVIAFC-LJQANCHMSA-N 441.919 1.740 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1705729990 DYUWVYHVDYHDME-APWZRJJASA-N 429.587 1.876 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705879909 OYPXZUGBFKMNJQ-PGRDOPGGSA-N 433.553 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705899563 XMOQLAIKRXGYJK-WBVHZDCISA-N 443.504 1.259 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705899970 LWNTWNLSSMZPIZ-GOEBONIOSA-N 429.525 1.925 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1705904540 RGLBBKWRZUOVCI-JKSUJKDBSA-N 447.540 1.627 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705931783 AENJAQJYTQYTIG-UHFFFAOYSA-N 444.561 1.436 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1711015984 VTDKDOCZGOFFBV-RTWAWAEBSA-N 440.548 1.779 30 10 IDEE CN(C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1711049004 QLWIPQXTAQETRV-UHFFFAOYSA-N 429.506 1.646 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1711421435 AKFHJIGIJQUJTF-QGZVFWFLSA-N 432.506 1.080 30 10 IDEE COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1711872680 BPIMAPZSBQFBRS-FOIQADDNSA-N 449.533 1.154 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1712832916 DYXICDJITIACDS-IJSVZKGHSA-N 447.499 1.550 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 1722317259 ROVYYPAGYJQQGO-KSZLIROESA-N 439.582 1.418 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722325893 MQCYRVHBVIFSOK-OAHLLOKOSA-N 435.326 1.790 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722327163 MVBMVYZOZVPCMP-HOTGVXAUSA-N 442.549 1.592 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1722352991 RCYPRNUWQRILMB-KRWDZBQOSA-N 445.570 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1722391473 NMOLSEXFLGYKOE-XUZZJYLKSA-N 443.592 1.750 30 10 IDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722412854 PTEKSKXDHIXZNP-UXHICEINSA-N 442.589 1.928 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1722459128 CSQAVQNXYKYLNV-QGZVFWFLSA-N 447.586 1.282 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1722517676 MOEPCPJQQKNLPG-DLBZAZTESA-N 425.555 1.706 30 10 IDEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722552998 YKNLHBWSFCEQNQ-LBPRGKRZSA-N 436.850 1.047 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1)C1CC1 1722647240 RTZUFTIYYBUSFE-OAHLLOKOSA-N 426.587 1.154 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722683746 YYZKFKIOEZATNT-CVEARBPZSA-N 433.490 1.496 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722697239 HPPKZJBMHOIAGQ-HNNXBMFYSA-N 444.540 1.426 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722698820 MZCRTOKQNWTYFW-GFCCVEGCSA-N 425.415 1.320 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722725695 QSADJSRJDXARHI-DLBZAZTESA-N 437.566 1.263 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1728792000 PSVJTLBBXOIFKO-NRFANRHFSA-N 428.493 1.535 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1729637160 FAXMVEQCJQFQGS-SFYKDHMMSA-N 438.532 1.831 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1730879333 ZXJDQMBQSCDOPM-NRJQMVOHSA-N 427.505 1.565 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1740552487 OFSJDWKFCHFWQC-LSDHHAIUSA-N 446.520 1.469 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@]2(O)CCN(C)C2)c1 1740561378 DITYBZHEKUACNM-DEOSSOPVSA-N 447.543 1.406 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1740616780 GTBZEUYBJZYRAX-FGTMMUONSA-N 436.578 1.962 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740623763 AJSSMIVGMUKLLD-VQTJNVASSA-N 433.622 1.979 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1740645008 BXZODZXETCRUQL-RTBURBONSA-N 449.621 1.941 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1740899431 MKGYJQGAMCQRHK-OALUTQOASA-N 448.593 1.536 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740984324 ZTXXOHCCQSXFDV-CVEARBPZSA-N 445.549 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)C1 1740993216 ZPBZMUFYSPAILE-KRWDZBQOSA-N 445.593 1.899 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1743349857 ZAKXBQHNFIVDJG-MAUKXSAKSA-N 429.550 1.039 30 10 IDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748758147 TWHQFAVJZWSRPP-UHFFFAOYSA-N 445.589 1.957 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748820000 WVZXGFQOIXPXCH-FQEVSTJZSA-N 443.573 1.707 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1748829806 KGBJDXYRVPCIQN-RUZDIDTESA-N 449.555 1.888 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1748916736 BNJLCRBEIDFNNU-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CN(C)C1=O 1748949723 AAGCCHSHBOLFBM-QFIPXVFZSA-N 427.505 1.527 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCS1(=O)=O 1749475737 NAUBOMJFNXMKNG-KRWDZBQOSA-N 428.522 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1C 1749651557 XUMCBAYRRCDWTQ-JKSUJKDBSA-N 434.566 1.696 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1749680979 UZZTXVCNKQQQET-KRWDZBQOSA-N 426.521 1.606 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CN(C)C1=O 1749824878 PEZWVFZELLDIRF-HXUWFJFHSA-N 427.465 1.698 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1749978103 AVVNZVCNKMCYQS-SFHVURJKSA-N 435.532 1.695 30 10 IDEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1751147888 DASUNDYZRQEKQR-SFHVURJKSA-N 431.548 1.807 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1760180952 NLNKWFRHLZDKKB-DOTOQJQBSA-N 438.575 1.739 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760185816 DYCRUYCUZBIJKI-MOPGFXCFSA-N 433.553 1.909 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1760226386 RPAZKGJMYBHHKC-NRFANRHFSA-N 443.577 1.484 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1760280758 ITUGRLXJFMEDLY-SJORKVTESA-N 426.608 1.800 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1760464715 NGYZCEQSXFHHOW-KRWDZBQOSA-N 441.504 1.754 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1760510474 ZVIBASATVZETDC-LLVKDONJSA-N 428.440 1.738 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760527920 MGKPHXPSUOSICU-NRFANRHFSA-N 428.468 1.157 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(CO)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760528606 HQKPKRBHDIHVET-CALCHBBNSA-N 448.568 1.560 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1762700614 PVCDWUNRLYTPQL-AOMKIAJQSA-N 440.504 1.201 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CC1 1765500037 MDISEBUVDBNHCL-DLBZAZTESA-N 442.568 1.770 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCCNS(C)(=O)=O 1768634210 MPQKVIVTYUVSRY-UHFFFAOYSA-N 428.522 1.126 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1768980848 PMVWVIQHWFBBAJ-BTYIYWSLSA-N 426.477 1.073 30 10 IDEE COCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771052634 CGUQMSRIUXGLSA-KRWDZBQOSA-N 433.520 1.677 30 10 IDEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1771235021 YDLPZEKLVOPCEI-RBUKOAKNSA-N 427.505 1.893 30 10 IDEE N#Cc1ccccc1OC[C@H](CS(=O)(=O)c1ccccc1)OC(=O)CN1CCOCC1 1852234182 ROSSBNHEEMEDHV-LJQANCHMSA-N 444.509 1.655 30 10 IDEE COc1cccc(C#N)c1OCC(=O)NCc1nc2ccccc2n1CCN1CCOCC1 1852533710 VKHCHRJUMUYPTK-UHFFFAOYSA-N 449.511 1.944 30 10 IDEE C#CCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 1852688395 FRZOKVKNNJBPON-CQSZACIVSA-N 428.352 1.283 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)C(=O)[C@@H]1C 1854312818 ORSBEOOOCQGFRF-QFBILLFUSA-N 435.546 1.484 30 10 IDEE COc1cccc2c1SC[C@H](C(=O)N1CCN([C@H]3CCN(CCC#N)C3)CC1=O)C2 1855028964 JNLHBHFYGRPOOZ-MSOLQXFVSA-N 428.558 1.618 30 10 IDEE CCOCCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858965597 ULCCQDZWKPAPAG-UHFFFAOYSA-N 431.470 1.940 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCCCCC2)cc1=O 1870560131 ITYWTVZEBHLZEG-UHFFFAOYSA-N 429.542 1.932 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-n4ccnc4)ccn3)CC2)CC1 1889564472 ZWXLHFDBCCDQBD-UHFFFAOYSA-N 436.560 1.529 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1984789094 RRWQBDSOBADRPK-KBPBESRZSA-N 427.498 1.777 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2025610371 KBJUSUZBMZQGHB-ROUUACIJSA-N 429.521 1.382 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124522371 SCDUPNRODNTDQO-CRAIPNDOSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2246499975 VSTWSOPQOROJTA-ZCNNSNEGSA-N 428.533 1.983 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248440352 GRJHOGOLBKAOIJ-HAQNSBGRSA-N 438.359 1.749 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255530545 UHVIFGMTPGKJMR-KKUMJFAQSA-N 440.346 1.460 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255628832 NPYBOIVRHHSVPS-ZDUSSCGKSA-N 438.334 1.009 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705127 QJXVVWVFBXFILO-HNNXBMFYSA-N 435.330 1.680 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256061381 KOPOVLRWAXSIOQ-CQSZACIVSA-N 432.330 1.905 30 10 IDEE CC1(C)OB(c2csnc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256922639 HOLATUPMGZFWTG-UHFFFAOYSA-N 445.350 1.759 30 10 IDEE Cn1cc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267132837 VEOTVTYGBLIPPC-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267175090 JGKSQPYQLCJGOQ-WCQYABFASA-N 442.247 1.447 30 10 IDEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@@H]1NC(=O)OC(C)(C)C 2267264842 XKARKAWGYAIKHG-DOTOQJQBSA-N 449.357 1.688 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267280470 PFFCOASDNOSAFT-DOTOQJQBSA-N 447.341 1.793 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267586889 QCSTWFCNEMBCOA-HOCLYGCPSA-N 447.341 1.338 30 10 IDEE O=C(N[C@H]1CS(=O)(=O)C[C@H]1N=Cc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2294853630 VLLQYXRHVIIXOF-MNOVXSKESA-N 428.681 1.666 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)[C@@H](O)C1 2322306465 JZISJVATHNNRSO-BBRMVZONSA-N 437.321 1.582 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334261377 OIIIXFKLGIEMKI-HKZYLEAXSA-N 448.329 1.263 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2334270223 PPBNFLXNFFSROD-BPUTZDHNSA-N 446.357 1.847 30 10 IDEE COc1nc(NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339788389 OJSZIMMUISPIAL-UHFFFAOYSA-N 449.313 1.875 30 10 IDEE CC1(C)CC(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)CC(C)(C)N1 20915705 YDVCJXGAFOLPCY-SSDVNMTOSA-N 446.581 1.661 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N4CCCC[C@H]4C)CC3)cc2C1=O 29362004 DKDJWECVQYZPSG-QGZVFWFLSA-N 438.528 1.627 30 10 IDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)C(=O)C1=O 64956426 IWLGQCMVBSFOGJ-UHFFFAOYSA-N 425.938 1.658 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)CC1 105269587 XVAVPSQJNPAQGO-GOSISDBHSA-N 448.589 1.310 30 10 IDEE COc1cc([C@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)ccc1OCC#N 108322389 TVCKSXAXCLKWHR-GOSISDBHSA-N 433.424 1.720 30 10 IDEE C=CC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 410063677 AQVDCUOBQSVEAX-VXGBXAGGSA-N 437.381 1.965 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1 448365874 ZIGHFBKDQPQUHZ-UHFFFAOYSA-N 448.508 2.554 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460955279 DQYSKZVPBIWADT-UHFFFAOYSA-N 448.535 1.684 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 476784719 CGRMZAXKUWJDFY-UHFFFAOYSA-N 438.450 1.892 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)CC1 479918422 XCNYFHNAEZOCPD-UHFFFAOYSA-N 425.411 1.364 30 10 IDEE COc1cc2c(cc1OC)CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 481116265 HNZOZSHWLPQPSS-HNNXBMFYSA-N 443.525 1.870 30 10 IDEE CN(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 493705609 JPLPOYQMJCWAIL-UHFFFAOYSA-N 434.543 1.319 30 10 IDEE CC(=O)NCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 503205344 CDXNAXUITDWIRU-UHFFFAOYSA-N 441.513 1.733 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 514645298 HYWPKCLBTMEVJR-SFHVURJKSA-N 432.505 1.626 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)n1 546177580 SWZZPQDZYOBBIT-UHFFFAOYSA-N 447.542 1.004 30 10 IDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)C1 546213053 ORFPVHVWKPPPGK-IBGZPJMESA-N 438.576 1.572 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H]2CCCO2)n1 549480125 FPXJGGGWCZRZJU-FQEVSTJZSA-N 447.547 1.912 30 10 IDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)Cc1nnnn1C 549636551 CBRTVJSGQYJAOC-UHFFFAOYSA-N 436.568 1.379 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C[C@H]2CCCO2)c1 559121883 KYTQRJFTDJPGSK-OAQYLSRUSA-N 449.559 1.740 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)CC1 565471873 RKBRGPNEHHVWSX-UHFFFAOYSA-N 449.451 1.101 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CCOC)C(=O)C1 565684601 SBUZARGBCOSFFF-UHFFFAOYSA-N 437.504 1.063 30 10 IDEE C=CCOc1ccccc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 583571513 CGUXDRWMINMIEF-GOSISDBHSA-N 437.544 1.828 30 10 IDEE C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 588640173 AQIYDWMIYJWUBC-INIZCTEOSA-N 427.530 1.794 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 672522211 HYENUASJDZIYLM-MRXNPFEDSA-N 433.534 1.438 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)cc1 726564012 XVNPSBFCBDDABD-QGZVFWFLSA-N 427.526 1.863 30 10 IDEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669899 VLDJXJBUOBKMTM-UHFFFAOYSA-N 443.536 1.762 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC(=O)NC2CC2)C1=O 730137964 AXUQOAAHUKRFDJ-INIZCTEOSA-N 435.525 1.104 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(Oc2ccncc2)C1 730832227 GXBLMRKKZVPFFJ-UHFFFAOYSA-N 428.514 1.970 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 744705691 RDHBNBAUHKLBFD-AWEZNQCLSA-N 435.488 1.922 30 10 IDEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)cc1 751924596 YKAUPSVOGVGQOW-RHSMWYFYSA-N 433.578 1.383 30 10 IDEE CCc1c(C(=O)O[C@@H](C(=O)OC)c2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754347626 SYTAFCHYLBYRRZ-QGZVFWFLSA-N 436.424 1.137 30 10 IDEE COc1cc(Br)cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 760559010 AICOVPRABAVMKZ-PFONDFGASA-N 430.280 1.262 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NS(=O)(=O)C[C@H](C)OC 764171266 KSGRKLBBLUIZJC-JTQLQIEISA-N 435.296 1.579 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)c1 765733424 YLQWVQFCZBBUTI-HKOYGPOVSA-N 444.517 1.538 30 10 IDEE C#CCN(C(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 774195870 DMQNWRDHECMKKA-PXNSSMCTSA-N 446.573 1.836 30 10 IDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(-n4ccnc4)cs3)c2=O)cn1 783955717 TZMVBJODXQJLQP-UHFFFAOYSA-N 432.490 1.576 30 10 IDEE C=CC[C@@]1(C(=O)NCCS(=O)(=O)N2CCSCC2)CCCN1C(=O)OC(C)(C)C 790597442 SAZCYWHWEQDNEJ-IBGZPJMESA-N 447.623 1.827 30 10 IDEE C#CCN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCS(=O)(=O)C1 800746451 VKSWDRIAQWGUSY-QMTHXVAHSA-N 431.283 1.854 30 10 IDEE CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 803922256 NIEKEVUJALCRGN-UHFFFAOYSA-N 441.444 1.852 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 804389656 IYJMTCUHLCNFRU-CQSZACIVSA-N 444.513 1.311 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 810042517 YREHAAIZMSLWTJ-OAHLLOKOSA-N 431.495 1.701 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)OCC(=O)NCCN3CCc4ccccc43)cc2)c1N 919548907 DHBBCZLUUDJTAE-UHFFFAOYSA-N 430.468 1.662 30 10 IDEE COc1cccc(-n2cc(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)nn2)c1 1143451909 HRIAFAPPTULMJN-UHFFFAOYSA-N 426.458 1.639 30 10 IDEE C#C[C@@H](CO)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1159762677 PQYWNSCYUDWUBW-NRFANRHFSA-N 428.554 1.956 30 10 IDEE COC(=O)c1occc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1167189031 MDPKVXUFTBFSFC-UHFFFAOYSA-N 431.470 1.655 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC 1170815242 JLEQIPNLUBHSAY-LSDHHAIUSA-N 432.539 1.425 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1195463311 KKPQKDWVVYCALJ-KRWDZBQOSA-N 434.518 1.163 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2N2CCc3ccccc32)CC1 1214513154 VBICNTNVOIWOHD-UHFFFAOYSA-N 439.541 1.998 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1286272295 AWTKEXYNZHOTTB-QWHCGFSZSA-N 427.477 1.996 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286339157 JJEWUMKACYIVCJ-IBGZPJMESA-N 438.557 1.939 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1286376001 BZZIXVUECSXSGR-GOSISDBHSA-N 429.546 1.135 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1286390006 VBQOIMPNPOZTPT-KRWDZBQOSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286397472 ZQAICCCMULKSMK-RBUKOAKNSA-N 437.610 1.529 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2snnc2C)CC1 1286484857 YOHPKTPONBMJMO-UHFFFAOYSA-N 427.509 1.960 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286545963 DINNUISQIDMKFD-OAGGEKHMSA-N 425.555 1.021 30 10 IDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286698618 CZYOMSWVHHHARF-INIZCTEOSA-N 436.538 1.388 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1286725346 RKBUVANCBTYDFT-QGZVFWFLSA-N 445.593 1.899 30 10 IDEE CC(C)CN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1=O 1287749484 ONSFUCCRPJFDTA-MXLIYFDZSA-N 443.552 1.621 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1288304255 CPUANJBRTCYQOS-PKOBYXMFSA-N 441.529 1.338 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCSC(F)(F)F 1288803709 DZVJBTBHETUIPJ-SNVBAGLBSA-N 426.490 1.881 30 10 IDEE C[C@H]1CCc2nc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)c(C#N)cc2C1 1289755556 AMMRVOLQYBGLKH-SWLSCSKDSA-N 429.502 1.182 30 10 IDEE CCOCCOC[C@@H](O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1297308944 CZEYTRDKWHGXEP-ICSRJNTNSA-N 447.532 1.923 30 10 IDEE CN(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1298094451 BTNPMUXJPOKEBL-NHCUHLMSSA-N 440.548 1.810 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c(F)c1 1300208200 CPLBHGCAASZVMX-LIRRHRJNSA-N 437.472 1.818 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1300416711 IGBATKPZSWYTAB-UHFFFAOYSA-N 426.546 1.943 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1300430963 QYVLIKJVFLSXKA-LAUBAEHRSA-N 432.546 1.654 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@](=O)CC 1300471682 LKFSJYYMCFIPDS-SSEXGKCCSA-N 428.606 1.481 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300481847 BYVLAKPLGBBFFD-DYESRHJHSA-N 436.578 1.747 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(C)C)N1CCOCC1 1300527752 KKOBDZJEGIGQIH-LJQANCHMSA-N 438.532 1.435 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCC[C@@H]1NC(=O)NC1=O 1300657877 SRPZPYJXOJNTJO-INIZCTEOSA-N 430.896 1.673 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCC(OC)CC2)CC1 1300682538 OCUIFVPCAYGOMC-UHFFFAOYSA-N 437.548 1.886 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1300888342 JDQAXDWIMXLKMP-PGRDOPGGSA-N 440.548 1.540 30 10 IDEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1301166375 VCAMYYCUGRNOAR-MOPGFXCFSA-N 443.573 1.819 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C 1301595878 CWCAZPVXVGWFMP-HNNXBMFYSA-N 432.612 1.580 30 10 IDEE CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1)N1CCOCC1 1302527866 FAHIXSJTIPIJIQ-OAQYLSRUSA-N 440.548 1.922 30 10 IDEE C=CCCC[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1303686306 PJFZOBPGHQXACG-CVEARBPZSA-N 425.526 1.764 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1304148476 KLNJHVYCBJXLKS-LSDHHAIUSA-N 435.525 1.430 30 10 IDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1309650604 NHIUXPQNHLKAIJ-YESZJQIVSA-N 428.576 1.406 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CCO2)c1 1313316463 YARVTIAQTRUQKW-HNNXBMFYSA-N 437.378 1.666 30 10 IDEE CO[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1315227212 HZAKFJYMZQWRLP-ZWKOTPCHSA-N 428.468 1.656 30 10 IDEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1315818679 IXVHUSCRFUUNSX-UGSOOPFHSA-N 439.492 1.665 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 1323361176 AMNAKELXKXNQIU-RUNIHZNKSA-N 429.521 1.337 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358962528 RHTLHOZVOGDHQB-IBGZPJMESA-N 430.578 1.929 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1CC 1358976640 LZUYZCHJDVRIKA-UHFFFAOYSA-N 441.499 1.407 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1359010098 GPTWXCWJPURUIH-GJZGRUSLSA-N 431.509 1.506 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359031183 SPPKREJNNIOPNG-VLVHOKLOSA-N 431.581 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnnn2C)CC1 1359041896 LRIOUYMTWOIXRA-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 1359304787 JHTPHVQXPBAMRI-UHFFFAOYSA-N 443.504 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359330043 FCYXMMJLGBJJJG-KRWDZBQOSA-N 448.549 1.656 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1359440929 RAEPZTLZSLGZRX-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1360477033 UWTUSYPLXBAYTO-GJZGRUSLSA-N 428.559 1.164 30 10 IDEE C=CCN(C(=O)Cn1cccc(C(=O)OC)c1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1435899429 HCGZOOSHDQDEHY-IBGZPJMESA-N 426.469 1.824 30 10 IDEE C#CC[C@]1(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)CCCN1C(=O)OC(C)(C)C 1451173639 YIHSDSITUUUAPE-TWOQFEAHSA-N 426.535 1.194 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)s1 1452155244 WGZDKRQZBOEDRK-KRWDZBQOSA-N 447.582 1.920 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1460027758 OWHLYGIMKTZQGS-HNNXBMFYSA-N 425.441 1.381 30 10 IDEE COC(=O)c1cnc(CC2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)s1 1460701128 HXIOXTRZRTZUHK-SFHVURJKSA-N 447.605 1.877 30 10 IDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)c1 1465196587 AOJATMXPWAEJKU-KXBFYZLASA-N 426.448 1.797 30 10 IDEE CCOC(=O)c1c(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c(C#N)cn1CCOC 1466104341 FYCZCJMBJUJOMV-INIZCTEOSA-N 434.541 1.188 30 10 IDEE COc1ccc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Cl)c1OC 1470293217 UPAKJLUSZLLOMI-UGSOOPFHSA-N 427.910 1.479 30 10 IDEE N#CCCN(C(=O)CCC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1)c1ccccc1 1471428751 FIIKLAIMOKQRJO-UHFFFAOYSA-N 440.525 1.946 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H]1CCC[C@@H]1C#N 1473707273 IRXMMDVCLMCQCM-CTNGQTDRSA-N 430.574 1.632 30 10 IDEE C#CCN(C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CCS(=O)(=O)C1 1477033777 UKPDITGSYMUXHQ-LLVKDONJSA-N 442.291 1.434 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 1477682923 MJKDEDLGUKNRDK-CQSZACIVSA-N 443.367 1.175 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1504815035 KFVPWYKXRCKXPW-WOJBJXKFSA-N 437.548 1.500 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1507616288 IFLGNGIQXGEDBL-CVEARBPZSA-N 439.582 1.753 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630936 AGMGPIPNWATLIK-VAMGGRTRSA-N 449.621 1.673 30 10 IDEE C#CCN(CC)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507690466 YZIVMXBXIMMGTP-MSOLQXFVSA-N 430.578 1.947 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc([C@H](C)O)cc2)CC1 1507720596 UXEBBSHBGDDKMG-RBUKOAKNSA-N 427.549 1.859 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCSC2)CC1 1507740972 RJQOUFSSVNPNSN-KRWDZBQOSA-N 444.605 1.510 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507752851 AJXMFVCLGXILRD-IRXDYDNUSA-N 430.578 1.338 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507756986 SSPKGEACDYPJQQ-SFHVURJKSA-N 431.537 1.716 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1507928200 CCHCDQBMMNATLO-UHFFFAOYSA-N 438.540 1.537 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508144741 GHRVKYGSKYTGEQ-INIZCTEOSA-N 437.610 1.963 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1508409014 AHAWSORYTKBWCV-IJEWVQPXSA-N 439.611 1.849 30 10 IDEE Cc1c(CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1510463222 YUGAJWKFPKQNMP-ISLYRVAYSA-N 426.525 1.780 30 10 IDEE CCN1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515857239 YJQXIYSCSPQTIM-DFQSSKMNSA-N 431.585 1.663 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 1517927435 CHSFHHKODILCMM-SJLPKXTDSA-N 436.491 1.616 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1519517718 RPAWIBAOWKINRA-KRWDZBQOSA-N 430.534 1.343 30 10 IDEE NC(=O)[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1521263313 SQQCPYHQXDWRFA-XOMICKMZSA-N 441.536 1.239 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1539225894 RZGREBPIBJYOGT-QGZVFWFLSA-N 437.591 1.687 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCC2 1539241979 LJRZOZRNGAXGBI-UHFFFAOYSA-N 425.294 1.695 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1539258204 TZIXOPWGCWDFGN-UHFFFAOYSA-N 434.525 1.700 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(O)(CC)CC 1539408818 DNOKHLHCVFSUQX-UHFFFAOYSA-N 438.532 1.829 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](CC)OC)CC1 1539445978 MLARJOJPEJRQMM-GOSISDBHSA-N 449.559 1.855 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)nn(C)c2CC)CC1 1539460150 YFYNIRCVOHEWRW-UHFFFAOYSA-N 438.580 1.062 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([S@](C)=O)CC2)CC1 1539461723 JKRPCWVVIZWDMS-PMERELPUSA-N 431.537 1.663 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nnc(CC)s2)CC1 1539482308 SFSMOSKFWBMCGL-MRXNPFEDSA-N 443.577 1.948 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539512910 HFFUMCHTGXRXTA-MOPGFXCFSA-N 445.637 1.200 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539721557 CAIRZYCPIPYVLK-OAQYLSRUSA-N 431.541 1.495 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1539751139 HHNADGBNAVVFBX-OKZBNKHCSA-N 425.599 1.692 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1540019545 BCDFIAWULRBOHB-ULQDDVLXSA-N 427.571 1.486 30 10 IDEE C=CCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1540860890 RPLFTRRPCRJATH-OAQYLSRUSA-N 430.509 1.811 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1548326821 CQIGYJAMHUTMIJ-YJBOKZPZSA-N 428.534 1.286 30 10 IDEE CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1548335315 AAADIBXMTWOZSP-UHFFFAOYSA-N 443.577 1.683 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCC1(O)CCOCC1 1554150944 CCPQGBRTJCOIJM-UHFFFAOYSA-N 438.532 1.840 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1554164944 CHBDYWSTSMGQMA-ROUUACIJSA-N 442.545 1.562 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1554490163 WDGGNOFJYFDAAD-UHFFFAOYSA-N 433.472 1.528 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1556635274 DEWDQCLIAVXIHT-PVEMMZBWSA-N 428.436 1.664 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1564590113 PDOUYJWKBFJSFF-HRLGVUPISA-N 426.539 1.402 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1587555932 KWJKBKBKLQDHLL-INIZCTEOSA-N 447.499 1.909 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@@]1(N2CCOCC2)CCSC1 1587562840 UHTZHRDWJQLVMU-WFXMLNOXSA-N 437.610 1.668 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1587678358 SABQXQGDDPBQJX-OXJNMPFZSA-N 434.587 1.886 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)(F)C(F)F 1587946099 UWLAGDISJXALHT-UHFFFAOYSA-N 438.389 1.907 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1588046128 YBLSTTOMXOMTNQ-KRWDZBQOSA-N 442.520 1.916 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588055505 WQZUARKDOOXLMM-KURKYZTESA-N 438.594 1.860 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1594520849 DKRBCIMIGPVQSS-SFHVURJKSA-N 444.580 1.830 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 1594644115 CJSAYOXQQKTJNE-WBMJQRKESA-N 431.474 1.086 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1594948320 DYZPHZOOVJNVCQ-LTIDMASMSA-N 446.552 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](OCC)C1 1595537745 XJWQAOAVZCMQMR-HNNXBMFYSA-N 437.504 1.901 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1595871567 USIKDGPYSPVFSC-UHFFFAOYSA-N 448.549 1.396 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)COB3O)c1 1596611077 FSJBJUJCQBBAAA-HIXSDJFHSA-N 441.318 1.750 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)s1 1597473701 GLTKYDCZJPQJQH-QGZVFWFLSA-N 434.539 1.881 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)NCc1ccccc1 1612598329 HKLZZASCVCUMMD-UHFFFAOYSA-N 430.516 1.886 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1613434544 RUWQFJQXCGTEDB-LNLFQRSKSA-N 429.569 1.653 30 10 IDEE CCN1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1615807010 BDNMVYJRUSXCCJ-LJQANCHMSA-N 437.548 1.915 30 10 IDEE COc1ccc(CC(=O)N[C@@H](CC#N)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 1616997476 DPDLKYMUYZACMO-HNNXBMFYSA-N 435.424 1.219 30 10 IDEE N#C[C@]12CN(C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)C[C@H]1CS(=O)(=O)C2 1618171709 IZRMDQXZNIPHEQ-SCLBCKFNSA-N 441.962 1.650 30 10 IDEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@@H]1CN(C)CCO1 1621798444 KCJGFQNEYRHEPE-RDJZCZTQSA-N 443.363 1.868 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1625082356 GLEDZLSIOYBVJF-INIZCTEOSA-N 425.413 1.876 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1625147813 LCQGWKIRYKZGLV-UHFFFAOYSA-N 442.501 1.307 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c1 1628916538 YMSXBIPBQAMHMA-UHFFFAOYSA-N 448.522 1.025 30 10 IDEE CN(CCn1cc(Br)cn1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1629240554 PLSAQFXYRLBKQJ-UHFFFAOYSA-N 429.271 1.854 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1630712496 HKLPKEGZFWEEOM-SJORKVTESA-N 428.493 1.247 30 10 IDEE Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1S(=O)(=O)NCC#N 1630741383 QUNOQZGNRZKIJA-OAHLLOKOSA-N 441.513 1.818 30 10 IDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1632328720 SFZSDDPMNOTBNR-QRQCRPRQSA-N 427.480 1.847 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 1632449024 PEJIVSVPPORJKK-KBPBESRZSA-N 430.548 1.306 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(F)cc2OC(F)F)CC1 1633928210 YYHGEBVHIHDDMA-GFCCVEGCSA-N 434.440 1.283 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@]2(C)CN(C)C[C@@]2(C)C1 1634385633 AZDAXFRCFUGCKO-HSQYWUDLSA-N 432.590 1.940 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCc2ccccn2)Cc2cccnc2)cc1 1634417066 BSPSWTOILRJQNK-UHFFFAOYSA-N 435.509 1.898 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)s1 1636242499 PXIFTTKOMJUEKL-OAHLLOKOSA-N 448.526 1.655 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3cccc(Cl)c3)nc2C)CC1 1636475323 CVVHBGWMGQFCEC-UHFFFAOYSA-N 438.962 1.997 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc3[nH]cc(I)c3c2)c(=O)nc1O 1646147760 LWGKWSSMGUENJH-UHFFFAOYSA-N 449.208 1.336 30 10 IDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1647297246 SERHCRIESACBHA-IBGZPJMESA-N 446.305 1.702 30 10 IDEE CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC[C@@H]1C1CC1 1648028472 CELNUIBCNIWTFX-HZPDHXFCSA-N 429.477 1.382 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 1648734640 UDLBLFJQLIIFKY-PPRRPXPPSA-N 437.587 1.652 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCNC2=O)cc1 1650988911 AEGDJBWNMSUNQE-UHFFFAOYSA-N 441.513 1.351 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2cnc(C#N)c(C#N)n2)C1 1651655014 ZKKIGGOBPQAIRW-MAUKXSAKSA-N 439.520 1.952 30 10 IDEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1652172980 KWCXGVUTATVMJE-UHFFFAOYSA-N 437.871 1.851 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 1655256309 SQRBWGMXHUPPAE-CGTJXYLNSA-N 428.430 1.637 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)CC1 1669383096 LJSUMLIMLIICDQ-UHFFFAOYSA-N 434.440 1.553 30 10 IDEE C=CCn1cc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc2n1 1675013016 OFNGRNYGIYNAQZ-HXUWFJFHSA-N 434.500 1.947 30 10 IDEE C#CCN(C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1686512655 CQAYQUMFAGNESF-NRFANRHFSA-N 446.573 1.441 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1689835807 SVSGVMFEDCGXAV-IRXDYDNUSA-N 441.532 1.915 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1689924936 ZPDSAHCVMHNRPI-HNNXBMFYSA-N 425.518 1.993 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1689930615 VVCCIPIOLIJUJK-CABCVRRESA-N 431.509 1.506 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1690066324 DWHLJHVMNKWJCS-LJQANCHMSA-N 448.579 1.406 30 10 IDEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1690325683 FIJZAFHXKNFUNY-FQEVSTJZSA-N 435.532 1.804 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690328243 HWIROUILXWIFRE-CHWSQXEVSA-N 446.986 1.984 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690497174 JFLCWTHDRSSSNO-PMRDEQMMSA-N 427.571 1.078 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C 1690580779 FVNXZIGFHNRJSP-HXUWFJFHSA-N 426.569 1.872 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)C1 1696940956 NDLFOHKFSGDZNU-LJQANCHMSA-N 426.521 1.832 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1705476863 GGNRATVPJFAGTM-UONOGXRCSA-N 428.559 1.261 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705529651 BQDCEWMSHJCCGY-UHFFFAOYSA-N 435.536 1.472 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1705571996 NUKDNIDXGQOWLO-UHFFFAOYSA-N 436.907 1.526 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CC1 1705582360 ZSXOJZDXVPZPNZ-HKBQPEDESA-N 437.573 1.436 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N(C)C 1705601215 BRSUEUNRHNPKMI-UHFFFAOYSA-N 429.546 1.520 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1705612130 ADOBGQBNYLAJSS-ZWKOTPCHSA-N 440.614 1.047 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@@H]1C 1705657279 ZHUSFYUAYQGVQR-HNNXBMFYSA-N 427.530 1.750 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1705695407 WIWCMZXUNLBMAB-IEBWSBKVSA-N 432.569 1.845 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)CC1 1705769586 WUWZHJBQEJLQSR-MRXNPFEDSA-N 447.536 1.906 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705819939 XJSCABVCALJFPJ-HZPDHXFCSA-N 430.596 1.550 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705896639 SRAZLNHDVVTKCK-SFHVURJKSA-N 430.516 1.921 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1705932145 MXRFCKVRPRLLCW-SFHVURJKSA-N 445.593 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705934375 KDRPOARJYNDNEC-UHFFFAOYSA-N 435.510 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705936234 MEOIVBVFZQHRKC-AOCRQIFASA-N 439.582 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705937843 GJRKXZZEYTUJLF-HXUWFJFHSA-N 438.525 1.652 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)c1 1710327072 QTBFTSDNKTZWPW-APWZRJJASA-N 442.520 1.529 30 10 IDEE CCO[C@]1(c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(C#N)o2)CCOC1 1710425259 YTKSXTKYDJHPOE-OAQYLSRUSA-N 430.509 1.794 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC[C@@H]1C 1712635549 UCRLDUUJRFAZSE-FHWLQOOXSA-N 432.569 1.853 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(F)F)C1 1712912663 CZECDYXOYHKHCP-OOESYIKTSA-N 444.446 1.743 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1722298411 ZPUGDKDEYGWRPH-XGNMISCSSA-N 444.499 1.501 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722327162 MVBMVYZOZVPCMP-CVEARBPZSA-N 442.549 1.592 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN2CC)CC1 1722447515 IYOOZTUMULGAKC-PMACEKPBSA-N 428.581 1.622 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722491252 JFNCHUZLLHKWKQ-SCTDSRPQSA-N 444.580 1.700 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)CC1 1722504705 OROWFJIVNKRTFA-NQIIRXRSSA-N 432.569 1.150 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1722670566 PGYGIFQPIQEVSB-UHFFFAOYSA-N 446.573 1.996 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1722692130 DYZHBLBGHQFJBI-UHFFFAOYSA-N 439.476 1.287 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722697727 NYVQQFZZKCOGAP-HNNXBMFYSA-N 438.467 1.619 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)C1 1722714488 NPNFUMPMIKMDEK-SJORKVTESA-N 428.468 1.788 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(CC)noc2C)C1 1722719276 SEVIFNUQLVSCTO-JKSUJKDBSA-N 435.550 1.869 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCCCC2 1729706782 GNIOVOPEKYSNNE-UHFFFAOYSA-N 433.520 1.755 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1730998410 MUHOSEHOHDWCLK-UHFFFAOYSA-N 449.602 1.946 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CN2CCOCC2)CC1 1740598048 CBZOUHYEKZEUNG-SFTDATJTSA-N 431.581 1.964 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740617252 OOSJQSRIKXBATQ-QAPCUYQASA-N 429.546 1.566 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1740618701 ATQQCOBDLSFTMA-KRWDZBQOSA-N 447.948 1.527 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740622466 DEUJZJVPGUQSSD-KRWDZBQOSA-N 444.561 1.190 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740627076 XOXXFUXYPYNIOW-GOSISDBHSA-N 447.536 1.159 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1740790900 ZBFLRXIHIIUSEW-SFHVURJKSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740966900 YPOREIWQNSCYRV-OAHLLOKOSA-N 446.581 1.562 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(=O)NCC)cc2)C1 1740970155 FUALKRWEOBZIRZ-IBGZPJMESA-N 440.548 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740992702 LUORTLLBEDHBQT-QGZVFWFLSA-N 449.508 1.250 30 10 IDEE Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742820902 VNLUOGWZYDTBGF-PVEMMZBWSA-N 428.415 1.661 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)CCO1 1748222095 DQZBICAUFQKZNE-HXUWFJFHSA-N 447.499 1.318 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1748671567 KTCBHHDDWXEFKQ-SOUVJXGZSA-N 431.509 1.504 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748812084 PMRXOWCOGBQBKT-RBUKOAKNSA-N 445.545 1.162 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748888049 MVUVEORBOSLNCA-HXUWFJFHSA-N 442.527 1.938 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@H]21 1749038262 PLGQRGJCMHWRAX-BBWFWOEESA-N 439.607 1.356 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1749193768 PKXGGZZOQOLSPB-LSDHHAIUSA-N 436.538 1.841 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1749391155 MKVYHHWMKWWCKK-INIZCTEOSA-N 438.598 1.693 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1749599794 LRPQPZUJXCXDOL-ZWKOTPCHSA-N 439.582 1.078 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749676039 BOHJAMFTILNWGF-GOSISDBHSA-N 435.532 1.907 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccc(OC)c2)C1 1749705018 FNQKWAZMQYXURR-LJQANCHMSA-N 449.515 1.955 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1749707146 AOLNTNKFIPDALO-YEVIJXJFSA-N 443.573 1.937 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749715142 PYLOJQMUGIGKDR-MSOLQXFVSA-N 442.495 1.778 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749730528 HLXBFXHYABZPKZ-INIZCTEOSA-N 449.581 1.022 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760185579 ZSYRBLSHTMHDMQ-YMGMXPECSA-N 434.587 1.649 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760188888 DMPANUWPDQTIRX-NQIIRXRSSA-N 431.562 1.298 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1760194833 RGKVNTMOXUFBPO-CQSZACIVSA-N 435.937 1.671 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1760233331 KWCKCRYZWIFHTG-HZPDHXFCSA-N 427.596 1.356 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1760233362 LSHWWQQKZFJBCU-LJQANCHMSA-N 438.557 1.933 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)C1CCC1 1760288472 CYXOLDKSAOPVGA-MGPUTAFESA-N 436.582 1.187 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccs2)CC1 1760526619 DGSXWZSBLUPPIK-UHFFFAOYSA-N 429.550 1.091 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1760551213 XJJBKVRHOXSOHL-UHFFFAOYSA-N 437.953 1.690 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1767438490 GJALRULECPHHPP-HKUYNNGSSA-N 441.529 1.339 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)C[C@H]1O 1767921775 PEQDRBYJSCMAAW-UYAOXDASSA-N 449.515 1.576 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1769119869 GPLNOCOSGIRYPL-USLWUYTKSA-N 430.509 1.517 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1770741082 VSRRYSJUBYIFRZ-DLBZAZTESA-N 430.415 1.882 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cc(C)nn1C 1771220616 YRQHBGXFKXJABV-VQIMIIECSA-N 428.541 1.269 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1772567241 ZIJOXGCEVWBUKR-LJQANCHMSA-N 438.532 1.784 30 10 IDEE C=CCN(C(=O)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)c1ncccn1 1851766322 PLJGLJGSVBKHEV-FQEVSTJZSA-N 439.541 1.819 30 10 IDEE CC1(C)C(=O)N(C(=O)Cc2ccc(Br)cc2)CCN1S(=O)(=O)CC#N 1856092255 JZLXVNDAKCEZTO-UHFFFAOYSA-N 428.308 1.294 30 10 IDEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870386512 SSEHZMUKDSIPKV-UHFFFAOYSA-N 427.545 1.774 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870570411 BWIPPXMCZDHHFG-ZIAGYGMSSA-N 433.534 1.821 30 10 IDEE N#Cc1c(I)cc([C@@H](O)C(=O)O)cc1I 2060283398 HELGYEGFGHRKHE-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2136171977 MSXCKVGTVIWOKR-IHRRRGAJSA-N 426.267 1.600 30 10 IDEE C#CCNC(=O)CNC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237386906 ZCRYDAJOSGTEFJ-HNNXBMFYSA-N 438.322 1.751 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248411852 CQAYCTIYRXWYEW-LJQANCHMSA-N 438.359 1.845 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2256664505 DJTKHXGORSCGNG-UHFFFAOYSA-N 433.314 1.861 30 10 IDEE C[C@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267269946 IIWYHCBWBIBZTR-GXTWGEPZSA-N 441.259 1.910 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2267280896 ROMFNOXGDPLQDC-RTBURBONSA-N 439.321 1.880 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267519382 HGAMHFISKIRGOS-UHFFFAOYSA-N 448.329 1.171 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2269049424 HFXXKWPBCFRDRF-QHCPKHFHSA-N 439.321 1.773 30 10 IDEE N#CCCN(CC(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270523659 ZVXRCUIDQMJOSC-ZDUSSCGKSA-N 437.396 1.474 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CCO)C(F)F)cc2Cl)OC1(C)C 2282316941 KAHVWZRLLLTSAI-SECBINFHSA-N 431.719 1.995 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@]2(Cl)CC2(F)F)OC1(C)C 2282845830 ZPVXFPMQEKAOOR-ZDUSSCGKSA-N 428.719 1.878 30 10 IDEE C=CC[C@@]1(CO)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287710755 WSOHZWXKMRVIPV-NHCUHLMSSA-N 438.521 1.991 30 10 IDEE C=C(CS(=O)(=O)NCCOC1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2300199482 YWWSISBVIUPHFW-UHFFFAOYSA-N 446.375 1.729 30 10 IDEE COc1[nH]c(=NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787660 DBMJKCHJXICJPB-XMMPIXPASA-N 439.365 1.860 30 10 IDEE CCn1cc(C(=O)N[C@H](CCO)COCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2343500355 PXMSESICAMZLTC-GOSISDBHSA-N 443.353 1.900 30 10 IDEE O=C(C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39843481 MVPBHLMBRPRDIG-CQSZACIVSA-N 438.425 1.867 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(cc3C#N)CCCC4)CC2)cn1C 484180047 ZLQVCNUJAUOWGL-UHFFFAOYSA-N 442.545 1.913 30 10 IDEE Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1C(=O)N1CCOCC1 487162388 VBPFDZDWMGNWMB-UHFFFAOYSA-N 441.509 1.893 30 10 IDEE CCc1c(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cnc2c1c(=O)n(C)c(=O)n2C 491854747 QBDBONTWYHXEKL-UHFFFAOYSA-N 443.467 1.386 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 505945858 AFXAJVQMFFCVRN-NYHFZMIOSA-N 431.489 1.689 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 511665789 MAHUPPFKURPVDH-UHFFFAOYSA-N 433.518 1.353 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CC2)n1 544863923 IVSWMZCIBIPGIS-UHFFFAOYSA-N 432.528 1.731 30 10 IDEE N#C[C@@H]1CSCCN1C(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 577330444 RMKYQRHHTHBKJX-ZSXPZZPQSA-N 433.533 1.933 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H]2CCCO2)C1 619853344 GZVJTYGFFYIZKT-IFXJQAMLSA-N 433.513 1.859 30 10 IDEE C#CCC[C@H](O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br 717903304 JDHLUYAMMHPCNB-VIFPVBQESA-N 426.130 1.846 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 728345442 IUNUQNPJRHIWMF-RTWAWAEBSA-N 428.533 1.543 30 10 IDEE CCN(C(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@H]1CCS(=O)(=O)C1 729831820 BDNXYQBTWHONRH-CABCVRRESA-N 433.486 1.831 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)c1C 731204290 FOEPESKZLWYFAK-UHFFFAOYSA-N 444.578 1.444 30 10 IDEE CCN(CC)CCOc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1OC 732707186 VLVOOPXEVPGYAR-IBGZPJMESA-N 443.548 1.553 30 10 IDEE C#CCCNC(=O)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 733672858 FQLNLIHFLSEFCX-UHFFFAOYSA-N 427.482 1.729 30 10 IDEE COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 734814675 FNDBYKHNOXOCHY-DMEQXSTQSA-N 444.488 1.904 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)c2cccc(C#N)c2)[C@H](C)O)cc1C 748216812 HSELJSFOTUPDOK-MGPUTAFESA-N 430.482 1.629 30 10 IDEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NS(=O)(=O)Cc1ccccc1C#N 750678817 QMJINTHREQTDHN-FQEVSTJZSA-N 442.472 1.872 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)/C=C/c2ccncn2)CC1 754918164 DCDFFUFKGDJWDJ-ONEGZZNKSA-N 434.412 1.501 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756883848 LMUDXMVFTMGAIZ-GUTXKFCHSA-N 440.497 1.368 30 10 IDEE CNC(=O)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 758488803 UZBCNDLZHAWLSM-LYBHJNIJSA-N 444.513 1.877 30 10 IDEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768423224 XVZGGHZHVGTYQI-QGZVFWFLSA-N 443.577 1.577 30 10 IDEE CCC1(CC)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 779366999 UOFGSBWHTUHJHA-UHFFFAOYSA-N 441.575 1.321 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)n1 790103976 FLJBLSIFMNRIPA-GOSISDBHSA-N 447.561 1.485 30 10 IDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 802454575 XZVAIZOHURCIKE-UWJYYQICSA-N 437.548 1.452 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1 858005231 FPALZOYFNBDZRJ-AWEZNQCLSA-N 443.481 1.741 30 10 IDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2n1CCCCC2 914605402 SCUCLSKCHYZZDM-CQSZACIVSA-N 430.534 1.701 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)ccc1F 1133069422 BLKUOBFPHGXYFZ-IYBDPMFKSA-N 447.492 1.700 30 10 IDEE N#Cc1cn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)nc1O 1157813223 BQFCDOMYZNQOJF-YUMQZZPRSA-N 446.254 1.450 30 10 IDEE CCOc1ccc(Br)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1F 1181000505 PITMPLBSMSZGRU-UHFFFAOYSA-N 437.225 1.818 30 10 IDEE Cc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(-n2cc(Cl)cn2)n1 1234386950 MQKSPRFJCPPXIV-KBXCAEBGSA-N 434.909 1.309 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCS(=O)(=O)NC)c1 1286312400 XPEZDSLEPQIYLZ-UHFFFAOYSA-N 444.561 1.541 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286336656 MODHXWJXTVCWTO-UHFFFAOYSA-N 438.580 1.344 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCN(C(C)C)CC1 1286397495 AFRNZEOMVDUHAS-UHFFFAOYSA-N 428.581 1.505 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1286408611 DVIHYLKSISKAAX-KRWDZBQOSA-N 444.536 1.184 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1286431628 WHXGYJKZRVVLRQ-QGZVFWFLSA-N 437.500 1.766 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1286441365 WMNBQBKCFIHUSN-UHFFFAOYSA-N 433.520 1.687 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1286496014 KXRKJTBXJDNGSI-MRXNPFEDSA-N 441.623 1.652 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286504555 RYCIAWODXGCZRH-SFHVURJKSA-N 427.578 1.382 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286545965 DINNUISQIDMKFD-XHSDSOJGSA-N 425.555 1.021 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286618769 HNUOAJSLQGVVTB-INIZCTEOSA-N 431.928 1.979 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1286712324 WKEBEGQYIOREAO-KRWDZBQOSA-N 439.582 1.125 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1)C1CC1 1286732618 WMDOKICVTCLGDS-CQSZACIVSA-N 443.537 1.067 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1286787169 QARPTNOAKNYSTN-UHFFFAOYSA-N 436.520 1.580 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)C1 1286810041 XTHWZLLBSWMGQM-PMACEKPBSA-N 445.612 1.284 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286818513 JRWMGCFSEMMSEZ-MRXNPFEDSA-N 447.565 1.077 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCN1CCC[C@H]1CO 1288126105 NEKBIUPAWXQBSD-PGRDOPGGSA-N 431.585 1.783 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1291617463 AAVWFHSNMXQUBK-HOIFWPIMSA-N 425.537 1.925 30 10 IDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)c2)CC1 1292020396 OXYNRECYCQWZTB-YFHOEESVSA-N 431.489 1.983 30 10 IDEE CCN1CCN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296210847 JAPCHJSBCJWMJM-IBGZPJMESA-N 429.594 1.687 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1299000566 GOSHDTYLHPQVBW-KSFYIVLOSA-N 442.520 1.353 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1300380940 KMEBOIXNLIHGMZ-GDBMZVCRSA-N 435.554 1.452 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1300652660 CUCGFVYGKUAHTP-JTSKRJEESA-N 433.553 1.319 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301017001 DWGBTKGZFZUXBL-OLZOCXBDSA-N 448.977 1.744 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1302098315 GKMHTNXRVMTQMG-QGZVFWFLSA-N 432.550 1.574 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)cc1OC 1304148437 JORXDWPQCZNSNO-IQIBNGDESA-N 426.473 1.468 30 10 IDEE CO[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1315227208 HZAKFJYMZQWRLP-QZTJIDSGSA-N 428.468 1.656 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)cc(OC)c1OC 1315303770 BMMZBBVXQGFELX-QGZVFWFLSA-N 442.520 1.795 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315815715 KWYIDTBLHYUASW-RDJZCZTQSA-N 437.483 1.701 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1322289801 LDHUEWVDCFYOTB-HJPURHCSSA-N 431.452 1.282 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H]2CCOC2)CCN1C1CC1 1332159047 AZCOVCTUGTWIOO-QFBILLFUSA-N 436.516 1.929 30 10 IDEE N#Cc1ccc(OCC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1Br 1354581238 GPPDNRXMGVLZEQ-UHFFFAOYSA-N 430.262 1.669 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCn1cncn1 1358886083 XJGMBAIFZFQBSW-MRXNPFEDSA-N 431.504 1.986 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358967012 BJBPJZKCHCNXAN-RBUKOAKNSA-N 432.546 1.829 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Cl)c1 1358978905 XTFDDILNBUZZAL-MRXNPFEDSA-N 432.933 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1358988597 WCMQEKBKZQCUIP-XTQSDGFTSA-N 439.479 1.806 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1359018022 AHUUHQZZGAJXFJ-UHFFFAOYSA-N 433.578 1.960 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359053048 ZPKLEULAKHLOMM-INIZCTEOSA-N 449.602 1.790 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359106066 XGFLSVFNHHOKAE-KNQAVFIVSA-N 446.596 1.540 30 10 IDEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O)C1CC1 1359250258 GAJALWJGWVSNDB-UHFFFAOYSA-N 431.566 1.652 30 10 IDEE N#C[C@]12CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@H]1CS(=O)(=O)C2 1439799303 YYSMKUHWMONAIB-YVEFUNNKSA-N 435.303 1.645 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(C#N)c3)CC2)cc1OC 1448865663 NMSYJUVCDBYXLK-UHFFFAOYSA-N 444.513 1.688 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1449476472 AOGGKRVZSGOARQ-HOTGVXAUSA-N 442.459 1.966 30 10 IDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1450329668 JPMWYBMVQGJQNW-NSHDSACASA-N 428.297 1.591 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)s1 1451496010 XQTZTGDFXIIYAQ-HXUWFJFHSA-N 433.555 1.411 30 10 IDEE CNC(=O)CN1CCCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 1460807305 LJOXZRJKUOLLFM-UHFFFAOYSA-N 448.571 1.920 30 10 IDEE CCCN1C[C@@H](CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 1470569197 HEXPYNWDLGVHBP-OAHLLOKOSA-N 426.477 1.896 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 1471451179 PEMKDWRIVIFCSQ-UHFFFAOYSA-N 438.509 1.363 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c1 1475490940 CVJSMUZCJSXVRR-ZIAGYGMSSA-N 440.465 1.198 30 10 IDEE C[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1494563099 FTAXAXGSJGTRNY-FUHWJXTLSA-N 445.545 1.636 30 10 IDEE CCCN1CCCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1501008162 CDKSKDIAHNZOTN-XOMICKMZSA-N 443.552 1.767 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1502689195 WQMJFHGVAZFAJE-ONGXBYRLSA-N 445.524 1.048 30 10 IDEE COCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504826776 WCIAKDWGPZSSNW-FUHWJXTLSA-N 426.525 1.933 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1507556720 CWLGXQRLPPXBTD-OAQYLSRUSA-N 429.546 1.854 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1CCS(=O)(=O)CC1 1507604459 BZOOAPAARLZRMC-UHFFFAOYSA-N 449.964 1.756 30 10 IDEE 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CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1516875950 AIYKDPWCZLIIGO-VTGBYBNISA-N 445.501 1.611 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1517109706 MWMPRNDKDBCGFZ-QGZVFWFLSA-N 430.472 1.712 30 10 IDEE COc1cccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1518416937 MHCPVTBWSORIDC-MSOLQXFVSA-N 426.477 1.436 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)c1 1519510203 QNFNKGLDUULTCD-JXFKEZNVSA-N 449.508 1.596 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1521082166 DRZBUNTWXGPVOU-QZTJIDSGSA-N 426.502 1.513 30 10 IDEE Cc1c(C(=O)Nc2ccc(Br)c(C#N)n2)cnc2c1c(=O)n(C)c(=O)n2C 1537244845 FXUMYIRVLMXTII-UHFFFAOYSA-N 429.234 1.222 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1539016807 VRGNLAJKLZNSMF-BRWVUGGUSA-N 431.566 1.041 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC(F)(F)C1(OC)CCOCC1 1539311930 CFVDKGMZQSWGEM-UHFFFAOYSA-N 432.475 1.972 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CC2)CC1 1539469663 TXHWQDLUJSUBAC-PKTZIBPZSA-N 445.564 1.057 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1540868528 IQQQYQSSLMYWEP-KDURUIRLSA-N 440.596 1.570 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540880085 WVVYIPKAJHQTRY-INIZCTEOSA-N 426.521 1.696 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1540887841 FGPPLUHVGCKGGB-YGCDDZCOSA-N 437.504 1.591 30 10 IDEE C#CC[C@@H](COC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1543469784 NMVGEFXODQBUJV-KRWDZBQOSA-N 446.573 1.835 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC(=O)N1C 1545061594 UKGOBXRYAKBFKG-RHSMWYFYSA-N 446.458 1.820 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555996904 WPEMAKVSNPFHPM-UFVMTTLYSA-N 439.520 1.829 30 10 IDEE COC(=O)c1cn(C2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)nn1 1556140326 ZRKNPFDLUMCNAX-UHFFFAOYSA-N 445.277 1.219 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1556399651 UBCWPHMNAPISKQ-KSVNGYGVSA-N 428.551 1.366 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCSC[C@@H]1c1cnn(C)c1 1558592800 LFGOXFAGMVSOHT-KBXCAEBGSA-N 433.559 1.665 30 10 IDEE CS(=O)(=O)c1cccc(NC(=O)Cn2cc(C#N)c(I)n2)c1 1559429626 DMZLVOCNJQWSMO-UHFFFAOYSA-N 430.227 1.402 30 10 IDEE C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)CC1 1559559462 RRUJZSCAVQVHQB-LJQANCHMSA-N 446.979 1.337 30 10 IDEE C#CCC1(NCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)CCOCC1 1560154774 SGRPDBWRKDJZCA-UHFFFAOYSA-N 446.573 1.739 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)s1 1570507780 PMXURPAPUFIXKX-IIAWOOMASA-N 441.575 1.738 30 10 IDEE COC(=O)[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccccc1Br 1584136968 DMOHPIHMIXJCKF-MWWIPNPYSA-N 436.262 1.696 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1584481645 AVUCUNSWAKEKNT-UHFFFAOYSA-N 434.543 1.195 30 10 IDEE C=CC1(CC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CN(C(=O)OC(C)(C)C)C1 1586269583 DAZOCRNYKLPBTD-INIZCTEOSA-N 445.582 1.404 30 10 IDEE C#CC[C@@H](COC)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1587392694 RCVVMSRLSDJALI-SJORKVTESA-N 435.546 1.225 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1587638107 BQOIDARLBMVWSM-DYESRHJHSA-N 438.532 1.413 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588050357 RRMSACAYZBTVCE-IEBWSBKVSA-N 428.562 1.451 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@@](=O)CC 1588079278 VATFKLKQVWZNAI-LJAQVGFWSA-N 431.949 1.703 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1589528160 CYADBLXCZGBEPD-LMMKCTJWSA-N 430.553 1.515 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(C(C)=O)CC1 1595506516 BZIBRRUZMWHQCY-UHFFFAOYSA-N 442.520 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1595812050 LQWNSHKEYZFGHD-MOPGFXCFSA-N 431.562 1.870 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595838199 NEVNRXTUMVXYDU-UHFFFAOYSA-N 427.534 1.870 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1597806557 NKRVYYUVSZPTHR-IBGZPJMESA-N 441.481 1.225 30 10 IDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)O2)CO1 1598098384 VNWCFDUTZSMGOD-SAJUPQAESA-N 426.473 1.606 30 10 IDEE C[C@]1(C#N)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CCO1 1598178253 LWFFATSJQPHNAA-KDOFPFPSSA-N 427.910 1.552 30 10 IDEE CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1617620111 RSNIKAVMVFULIE-FQEVSTJZSA-N 449.559 1.819 30 10 IDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1617711732 FOJUFRJYMQTDMJ-GOSISDBHSA-N 444.561 1.714 30 10 IDEE C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1618518819 CZBBHNOATOLSQA-QSSVHEDJSA-N 432.274 1.681 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@@H](C)O1 1619733353 DHBDUIUZYGAIDB-VQIMIIECSA-N 427.505 1.598 30 10 IDEE COCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1619821865 JTTHGMGLQHJVFZ-QFBILLFUSA-N 440.570 1.168 30 10 IDEE O=C1CN(S(=O)(=O)c2cccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)c2)CCN1 1625533412 DATMDGDEQOEYAJ-RMKNXTFCSA-N 431.445 1.167 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc1 1626004262 OGMYUYSQIMPGJL-OAZPQLMHSA-N 440.522 1.324 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)C1=O 1628383504 BRSFEKGBIGYOFG-OAHLLOKOSA-N 442.472 1.446 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1628662775 RNJWSJBVZQCGMI-QZTJIDSGSA-N 430.505 1.566 30 10 IDEE C#CC[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1630396795 JTBMQRSRCRZZAK-BBRMVZONSA-N 445.463 1.490 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCCNC3=O)cc2)c1 1630468210 QBIANSJSMAFJGV-UHFFFAOYSA-N 430.461 1.973 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CCN2CCSCC2)cc1)c1cc[nH]n1 1631523079 ZVZAMYMSHBJKJW-UHFFFAOYSA-N 445.545 1.924 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1637514300 SARUSYRODDIGRT-AWEZNQCLSA-N 431.493 1.631 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1639158320 GHKGYAYWSVMZGG-QGZVFWFLSA-N 445.004 1.935 30 10 IDEE COc1cccc(N(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(=O)OC(C)(C)C)c1 1639822258 XZWVQBRMGZAWSN-YCRPNKLZSA-N 449.529 1.833 30 10 IDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1640254281 TUWNXIRYUCIRTJ-QFIPXVFZSA-N 427.310 1.852 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)C1 1642078744 WQSBZYBOONAFFX-CCECRFFPSA-N 446.548 1.669 30 10 IDEE COCCOCCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1644171022 RJQBZVBUURLYQQ-QGZVFWFLSA-N 434.924 1.372 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](Cn3cc(CN4CCOCC4)cc(C#N)c3=O)O2)C1 1652849279 VTGRHGOKMQWODH-LJQANCHMSA-N 444.532 1.721 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4nccc(Br)c4C3)CC2)o1 1654824818 IHBAHXHWVWXRTE-UHFFFAOYSA-N 445.321 1.719 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC[C@@H](CO)[C@H]1CO)CCCC2 1655214181 DREKQSKDJMZQFC-XGHQBKJUSA-N 430.549 1.421 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1n[nH]cc1C(=O)OC 1665506057 CHOOFSNLLBEXMU-UHFFFAOYSA-N 426.495 1.220 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)cc1 1673398114 DYUYSWPCEJONMO-OAHLLOKOSA-N 432.506 1.389 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ncc(Cl)s3)CC2)cc1 1684983714 CHXDEXFWWCGVPW-UHFFFAOYSA-N 425.923 1.884 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(CCN(C)C)CC1 1689961401 WNRGRZYSMCUIBB-UHFFFAOYSA-N 448.575 1.937 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689990639 QTYSQINRWFICFS-IRXDYDNUSA-N 447.561 1.706 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCn1cc(Br)cn1 1690083047 YNQGHTPYTQNSRJ-UHFFFAOYSA-N 434.342 1.909 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(C)COCCO2)CC1 1690142530 PTBCDWRXJASFSI-JOCHJYFZSA-N 426.521 1.055 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1690662263 WWVFILPJKLTPDB-OAHLLOKOSA-N 431.294 1.739 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690663889 HRHVNOLPCYWRSJ-MSOLQXFVSA-N 428.537 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)CC1 1690725203 IJYOJZXYJSUMOI-UHFFFAOYSA-N 439.488 1.074 30 10 IDEE Cc1ncsc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1692915346 DPNVDZXTTWPVAW-BLLLJJGKSA-N 427.531 1.338 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1696021581 BRJXTBBBTQBLFJ-FRQCXROJSA-N 425.555 1.493 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696478937 XSNWTBFTVZOHRA-UHFFFAOYSA-N 439.501 1.310 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1698222875 ACHQTWGLMAZBAL-UHFFFAOYSA-N 448.531 1.905 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1698314387 HKKLZZIYMPNYCX-UHFFFAOYSA-N 441.517 1.295 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1705568799 VKOGVRUOHHFCET-GOSISDBHSA-N 432.546 1.829 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1705626642 DLDUVYPKPJTWFF-NRFANRHFSA-N 446.577 1.485 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC2(O)CCOCC2)CC1 1705641018 NHPSCFXLIOTJTD-UHFFFAOYSA-N 427.524 1.695 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705688601 SOVFXZKHWHBPEC-CYBMUJFWSA-N 434.360 1.162 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2nccnc2C)CC1 1705899172 JYLGKOXFJGTKKF-UHFFFAOYSA-N 436.495 1.811 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705906842 QJGLRVWBUWPVSE-GOSISDBHSA-N 447.561 1.481 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706105204 AWWDUPNZFICISO-SVQNHAPJSA-N 428.537 1.965 30 10 IDEE CC(C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706434508 AHOLILWLAAELOI-IGGDJGDASA-N 443.552 1.815 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC#C)CC1 1722328763 YIEIYXOIOHNQBR-UHFFFAOYSA-N 439.589 1.715 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1722341890 FOROBMCCMFWQHU-RHSMWYFYSA-N 438.985 1.914 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCOCC1 1722370099 GGZMJMJVSSSKIY-UHFFFAOYSA-N 434.544 1.942 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1722403371 ZBXISCVBUPBPGU-HNNXBMFYSA-N 429.550 1.857 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722559202 NWKNQNASQBJKDA-KKUMJFAQSA-N 438.916 1.227 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722625574 XAODFHDQFATIHF-AZUAARDMSA-N 427.553 1.875 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1722692850 YXKAQOOTLIQKOD-QGZVFWFLSA-N 429.569 1.127 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722706267 PRVVOTGLFRVJCU-UHFFFAOYSA-N 444.511 1.655 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCCC2)C1 1722710457 JCAZVMHTJWTJJO-HZPDHXFCSA-N 427.571 1.365 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)F 1722987010 JFZVZOGDOKNQGH-OLZOCXBDSA-N 446.430 1.878 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1724017628 CXUHHUIGRNOBIE-IIBYNOLFSA-N 442.545 1.343 30 10 IDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cnn1C 1724147318 BURBKHFNATWUEF-QFIPXVFZSA-N 434.504 1.521 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1727229565 FNCQDADMNPLOSV-PGRDOPGGSA-N 444.511 1.972 30 10 IDEE COCCOCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1730913712 IVUSILFBJGZDMZ-LJQANCHMSA-N 442.520 1.929 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740580517 AKXQXOTUDQVTFA-KRWDZBQOSA-N 444.923 1.226 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1740672018 UXOKOXNFCAHTLL-DLBZAZTESA-N 425.555 1.030 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccccn2)CC1 1740707307 XOAXSZDEDODIQH-UHFFFAOYSA-N 429.528 1.867 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740720956 SCMSRPPCLITTDM-UHFFFAOYSA-N 439.589 1.031 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740800717 HSBICTSIGIAZOO-YOEHRIQHSA-N 437.976 1.158 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740843197 ASFUFGXGXVSXCA-JYJNAYRXSA-N 438.598 1.738 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740888168 QBTXBHREMJQDHI-ZWKOTPCHSA-N 439.582 1.125 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C(C)=O)CC1 1740940822 UCOXFBDZPVTGSS-UHFFFAOYSA-N 427.553 1.451 30 10 IDEE C=CCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1[C@]1(OCC)CCOC1 1740950044 JKMNRMZVYNJTRT-IBGZPJMESA-N 433.538 1.823 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740954686 QTBGZEAVWCXXHN-SFHVURJKSA-N 437.504 1.834 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740954994 USJKAHGXDYJPLI-QGZVFWFLSA-N 436.516 1.893 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740957986 GLIAPXCXNWVGNB-SFHVURJKSA-N 440.552 1.555 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740963040 XMKDUFODYWKCJU-UHFFFAOYSA-N 434.548 1.906 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741991745 MWVADWGPVAAZCN-RGJVZEKDSA-N 427.509 1.164 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743687047 IGXRBNLNABYFOK-WUTJBMLESA-N 429.525 1.280 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747418767 HIRISVBAVKCTCJ-UHFFFAOYSA-N 442.501 1.816 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1748639027 AZMMFEJGWMDMKF-GJZGRUSLSA-N 428.628 1.174 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2ccnc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1748803942 BHMGOFPWHSLIBG-GOSISDBHSA-N 425.518 1.151 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748882759 FEPLGLXDTXZWDY-HSZRJFAPSA-N 443.555 1.756 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1749494784 WQZIWZPHDXGMQQ-KRWDZBQOSA-N 426.587 1.109 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)CCO1 1750386412 GQXAJJPJOGTXBA-SFHVURJKSA-N 432.525 1.076 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1751284532 IEXAOIPIBPSQQI-WMZOPIPTSA-N 435.532 1.823 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC(F)F 1760103105 YIVNYHBTLMXAHM-AWEZNQCLSA-N 441.504 1.935 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1760189784 WTJUPKTUWPWNMW-DLBZAZTESA-N 449.602 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(OCC(N)=O)c2)CC1 1760257705 FPWPKUWQFUUKMD-UHFFFAOYSA-N 431.500 1.008 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(O)c2)CC1 1760272050 WZWKMVWHFANKLT-UHFFFAOYSA-N 430.512 1.984 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760299645 BZEFBZFVRXULEK-SFHVURJKSA-N 439.358 1.822 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CC1 1760396988 MHYZOVIYRWZHNF-OAHLLOKOSA-N 433.582 1.800 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCO[C@@H](c2ccccc2)C1 1760514501 HMSZKGJHZRJTSV-GOSISDBHSA-N 426.521 1.687 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1760522062 KYRXJTRYPJEINN-KDOFPFPSSA-N 433.459 1.940 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H]1C 1760531933 FOQBEQMHDGPSRF-HOTGVXAUSA-N 435.550 1.727 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](C)CN3CCCCC3)CC2)c1C#N 1762399740 ANNKCBPVYJMHSI-KRWDZBQOSA-N 425.585 1.949 30 10 IDEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCOCCS(C)(=O)=O 1764950483 NZISFYAXXNCZAC-GOSISDBHSA-N 433.534 1.351 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CCN2C1=O 1765297084 SGMRWHCZYXBRDO-CRAIPNDOSA-N 436.520 1.240 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1765727983 DNSSGDIHGHUQNB-KRWDZBQOSA-N 446.533 1.576 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1766584068 HQFAGVUMMBPNLD-LAUBAEHRSA-N 439.564 1.888 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cc(C)nn1C 1771220615 YRQHBGXFKXJABV-QFBILLFUSA-N 428.541 1.269 30 10 IDEE COCCOC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1771256345 DLTGGZLRAWFFGV-HNNXBMFYSA-N 449.533 1.325 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1772790643 FNRBHZQCNPUAAY-UHFFFAOYSA-N 439.449 1.602 30 10 IDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1851064235 ONDMFIFSGOUYED-QGZVFWFLSA-N 427.530 1.473 30 10 IDEE CC(C)(C)[C@@H](C(=O)Nc1ncc(Br)cc1C#N)N1CCS(=O)(=O)CC1 1851190181 LBDTUEPWVJGLJG-CYBMUJFWSA-N 429.340 1.799 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)CC1 1855470549 GQYFLBUYJHQMPS-ROUUACIJSA-N 436.578 1.191 30 10 IDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1F 1857494373 JVQJLSACFXCJSS-UHFFFAOYSA-N 434.424 1.683 30 10 IDEE COc1cc(C)c(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858334079 BJJXOGQLLCYRAT-QGZVFWFLSA-N 449.554 1.925 30 10 IDEE CC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868783296 QIXSCOAJKZQFQE-QAPCUYQASA-N 431.562 1.220 30 10 IDEE C#CCN(CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)C(=O)OC(C)(C)C 1909082105 NMFAJAJSUZACFK-CABCVRRESA-N 439.509 1.826 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@H]2OCC[C@H]2N1C(=O)OC(C)(C)C 2006228233 MNNQEHDKFOPFMB-YNEHKIRRSA-N 425.345 1.981 30 10 IDEE C[C@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1=NO 2108227639 JCIREBHJQGJKEL-QUJCMNEKSA-N 425.482 1.759 30 10 IDEE N#Cc1c(F)cc(Br)cc1N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2174809788 DPKRUBJDGFFPGY-VXNVDRBHSA-N 437.191 1.819 30 10 IDEE C#CC(CC)(CC)NC(=O)C[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195298223 LQPHNTCTCDTISW-BJLXPSRBSA-N 436.530 1.813 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243384883 YITPDQOVOSDEJF-ZDUSSCGKSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243399073 JTCCHNLYSCIFQN-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE Cc1nc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247835567 MNRPCVOPGJLTHP-LBPRGKRZSA-N 441.359 1.366 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255605296 PPSSNLGDZFZQCF-LLVKDONJSA-N 430.236 1.382 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1CNC(=O)OC(C)(C)C 2255627140 OIYNJIGMAHWDBJ-KBPBESRZSA-N 434.346 1.942 30 10 IDEE COC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255629560 XMWHKALDSWNGQU-UHFFFAOYSA-N 436.318 1.075 30 10 IDEE CON(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255653566 KPPRCQPKSZBKKJ-UHFFFAOYSA-N 436.318 1.342 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255654899 FOKJVPKAPZUVRH-UONOGXRCSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255696542 VMVPYKCZFZIJHJ-UHFFFAOYSA-N 435.330 1.652 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255881866 DYBDLIJNPOAASF-HUUCEWRRSA-N 433.314 1.091 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1CNC(=O)OC(C)(C)C 2267126603 BXPJGWJOQTUDCZ-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE Cc1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267142866 AACWXQXVPFPEDF-LZWOXQAQSA-N 446.357 1.765 30 10 IDEE Cc1nc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268637431 MMGZDBSLCISTSJ-ZFWWWQNUSA-N 448.329 1.393 30 10 IDEE C=CC1(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCOCC1 2270530794 KHOOBTWGHQZQAS-INIZCTEOSA-N 426.491 1.268 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2312862009 KBMAJMIXBOFPGU-HPFXQQBRSA-N 434.342 1.601 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(CC(=O)O)Cc1ccccc1 2337195678 BAFMRQPJVVFZIZ-UHFFFAOYSA-N 442.325 1.036 30 10 IDEE Cc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@]3(O)c3ccccc32)c(C)c1 1926242 VZZFJYNEEOXWHU-UPPUFSLMSA-N 428.510 1.849 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)Nc2nccs2)n1N)c1ccc2c(c1)OCO2 21318371 CTDGWPMLBZVDOY-AWQFTUOYSA-N 432.491 1.744 30 10 IDEE COc1cccc(C(=O)/N=C(\NCCN2CCOCC2)Nc2ccc3c(c2)OCCO3)c1 46135071 VVDZPHLTXYHOKL-UHFFFAOYSA-N 440.500 1.997 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 109937979 GLCHNPTYUDYMLP-SFHVURJKSA-N 444.538 1.962 30 10 IDEE C=CCc1cc(CNC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc(OC)c1OC 410213870 IALKHQFYFXMOOP-DLBZAZTESA-N 425.551 1.949 30 10 IDEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462092087 VSIOONXGZVDOJM-KRWDZBQOSA-N 436.520 1.689 30 10 IDEE CNc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cccc1[N+](=O)[O-] 462904653 XFWKDWNMDIQRBA-UHFFFAOYSA-N 429.458 1.655 30 10 IDEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 464543554 AVPQZLJRYBSCFE-LSBZLQRGSA-N 430.530 1.084 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C 467836974 VGPOGHFPMFYBJI-FTRWYGJKSA-N 440.525 1.531 30 10 IDEE Cc1nn(C)c(N2CCN(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)c1C#N 472164501 SWAGAEBHYYVCKT-UHFFFAOYSA-N 449.559 1.143 30 10 IDEE COCCOC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 474211576 VQICAMUNQXXWIT-UHFFFAOYSA-N 435.546 1.613 30 10 IDEE COC(=O)C[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 476761374 URXHZLMUWDOCGK-SZNDQCEHSA-N 447.488 1.959 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(Cc3nccn3C)CC2)c(C#N)cn1CCOC 481476423 MEXGIXCCQINCON-UHFFFAOYSA-N 443.508 1.266 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@H]2COCC[C@@]2(C(=O)OC)C1 483076267 RKTODTYDGLJWLQ-HTAPYJJXSA-N 432.521 1.463 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)C2=O)cc1 488261440 XGXFPHLDKYFONE-NHCUHLMSSA-N 431.496 1.932 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2c(=O)nc(O)c3ccccc32)cc1 502424412 KNJXPCPJIGZUAA-SFHVURJKSA-N 449.492 1.904 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505736151 MMNHCKKUATWTCK-LJQANCHMSA-N 440.522 1.386 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)COc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506815239 CBIQVNUNVBMEBB-HXUWFJFHSA-N 436.516 1.319 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCc4cccc(C#N)c4)CC3)C2=O)n(C)n1 508048390 XXCDVDLMJKRCDM-FQEVSTJZSA-N 435.532 1.623 30 10 IDEE C=CCN1CCC(NC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 508499679 XMOLPZVXRUMYDR-FQEVSTJZSA-N 443.596 1.202 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)o1 532108852 MNDOULUHTOSXQY-UHFFFAOYSA-N 441.553 1.270 30 10 IDEE C[C@@H](NC(=O)[C@@H](C)N(C)CCOCc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 558176354 RGRXXQMREBEVTH-IAGOWNOFSA-N 444.557 1.920 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1 575370649 DWYUWPZRMFSKDW-UHFFFAOYSA-N 449.577 1.847 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)n1 582880266 WWXOAJUNXAIVMD-UHFFFAOYSA-N 438.553 1.452 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 591114161 FBLZYYDTRWBOBV-QGZVFWFLSA-N 436.965 1.302 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H](C)c1cccs1 727418017 VSIGMBXOFWCKBG-AWEZNQCLSA-N 443.550 1.829 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)CC1 728532342 VULWINCAXBIMPF-FKBYEOEOSA-N 436.556 1.354 30 10 IDEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)c1 733688155 JYJMBQTWOGBTQN-OAQYLSRUSA-N 448.504 1.941 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)n(C)c1 734291268 LNYXEGJURSXGDQ-UHFFFAOYSA-N 438.531 1.354 30 10 IDEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1S(=O)(=O)NC(C)(C)C 740496614 YGMLNECATKQBGM-INIZCTEOSA-N 447.561 1.209 30 10 IDEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(=O)O 757201925 RCUDLBMIZXPYEQ-LEWJYISDSA-N 436.464 1.869 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC2)n1 760777617 MESOECWBLKLIGL-UHFFFAOYSA-N 448.527 1.556 30 10 IDEE N#CC(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1CCN1CCOCC1 762990472 OUFJPFPYOLZSCJ-UHFFFAOYSA-N 441.513 1.017 30 10 IDEE C#CCN(C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 774047985 HVKOBDJHMHGHHG-ZWKOTPCHSA-N 434.518 1.641 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 774284193 MWIDRHUMYQFFMS-QGZVFWFLSA-N 444.561 1.036 30 10 IDEE COC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(O)c1 775795546 GCYDQLDPQJFZEY-GOSISDBHSA-N 431.470 1.241 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc1C 781593846 NUZIFYZVCVKKCH-UHFFFAOYSA-N 439.490 1.440 30 10 IDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 788696255 NDHMZNANCLDGMF-UHFFFAOYSA-N 436.559 1.512 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccs2)CCN1C1CC1 802700745 BDKVYSWMSOFNCC-GDBMZVCRSA-N 432.575 1.467 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](S(=O)(=O)N(C)C)C3)ccc2c1=O 804190346 VTVRVJMVXGOXIV-AWEZNQCLSA-N 436.559 1.367 30 10 IDEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 917035589 FGKAXVRWBQXMBP-NEPXVJNWSA-N 430.530 1.746 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCCN4CCSC[C@@H]34)C2=O)cc1 1133494121 KOHFGGNNMOOCFM-KSZLIROESA-N 427.530 1.459 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1141145152 MLYVYKMYTMTSMQ-FQEVSTJZSA-N 442.541 1.368 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)nn1 1142655476 FAYXRZUFYCAXFU-UHFFFAOYSA-N 427.486 1.578 30 10 IDEE Cc1ccc(C(=O)N2CCN(c3cnc(O)nc3N)CC2)cc1B1OC(C)(C)C(C)(C)O1 1154430857 BBEGHNIJXLVHIN-UHFFFAOYSA-N 439.325 1.334 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)C1 1157893483 JJUZSGNZZARNEM-NVUPZSDDSA-N 448.545 1.170 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)nc(C)n3C(CO)CO)c1 1157949637 KHBHMCMWULBPEM-UHFFFAOYSA-N 444.513 1.587 30 10 IDEE N#Cc1cn(C2CN(C(=O)C(F)(F)c3ncccc3Br)C2)c(=O)nc1O 1159489534 FZCBWBKEFXMYDN-UHFFFAOYSA-N 426.177 1.153 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C#Cc3ccccc3)CC2)cc1 1165628997 FXVHJIPQHCJTMJ-UHFFFAOYSA-N 427.526 1.315 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@](C)(C#N)C2)c1 1167598054 PHAURNHGNSHKLM-MRXNPFEDSA-N 430.324 1.750 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CN2CCC(C)CC2)CC1 1227865191 YWTNLLQJWMXBHO-UHFFFAOYSA-N 447.605 1.213 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(=O)OC)C1 1286348196 VMNDKMMBCFSXQR-OAHLLOKOSA-N 430.534 1.651 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286389287 HJKGEOHTSTZKEU-IAGOWNOFSA-N 431.493 1.043 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286397663 BPBCAVLCURYLJB-WMZHIEFXSA-N 427.549 1.998 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1286431055 RIWKRTHUZMJLIW-UHFFFAOYSA-N 445.527 1.262 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286462773 VNKKPHWIJSQLKC-SFHVURJKSA-N 448.531 1.490 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1286476621 ATDRYIFVSHJLRT-OALUTQOASA-N 425.581 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1286778961 BZLRKERDACMMPK-CQSZACIVSA-N 447.337 1.712 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286781649 WIVUHXAWIVVHPA-CVEARBPZSA-N 441.536 1.867 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286819064 YLKFDLOBNDGYCV-QGZVFWFLSA-N 444.565 1.527 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1286959378 GDGNZQBEJKVSBI-HZPDHXFCSA-N 446.581 1.528 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3ccc(C)c(C#N)c3)CC2)c1 1288686467 YASDXIVMIHRULY-UHFFFAOYSA-N 426.542 1.943 30 10 IDEE CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1289683354 JAYFTKQMLSVVGJ-UHFFFAOYSA-N 425.264 1.703 30 10 IDEE CCO[C@@]1(c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CC(=O)N(C)C)CCOC1 1296679133 LEKAABKZJZFJFF-MSYCTHLASA-N 438.532 1.762 30 10 IDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)n1 1300224154 BAOBUXAJZZCLAM-QFIPXVFZSA-N 439.520 1.991 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(CCC)CC2)CC1 1300726604 QRGKILCUDSAXRR-NRFANRHFSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300768909 ZIOBBETXHDGMCY-IBGZPJMESA-N 429.594 1.811 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1300777951 HYENBGMZIWIACP-GUXCAODWSA-N 435.550 1.231 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCNS(C)(=O)=O 1300882961 ZNSRCZHPBHXZEW-APWZRJJASA-N 449.577 1.920 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1300915361 NTUOMBRCRZSGRD-QGZVFWFLSA-N 437.570 1.104 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1301424031 GNOLRSHORYFBPF-BEFAXECRSA-N 440.591 1.788 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 1301509912 PQKOCUUDGOGGIU-LJQANCHMSA-N 438.532 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301577836 ONABPCMRPQRZNM-MRXNPFEDSA-N 445.545 1.366 30 10 IDEE Cc1c(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cnn1C 1304093232 WMABFVMTAPAEJO-AWEZNQCLSA-N 429.506 1.372 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCc3cccnc3)c2)CC1 1310136560 WDHVWWMOUZUOAR-UHFFFAOYSA-N 429.502 1.278 30 10 IDEE Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1CCCCCO)CC2 1314930798 KRNLXRDEVBZGTF-UHFFFAOYSA-N 449.515 1.548 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCCO1 1319517152 KRFASDSCNIJKGQ-GOSISDBHSA-N 448.548 1.999 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358962868 YLCDNFTYUNLONR-ROUUACIJSA-N 427.530 1.213 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(COc4ccccc4)o3)n2CC(=O)N(C)C)CC1 1359032406 NDKAYLKWRCCFIO-UHFFFAOYSA-N 448.527 1.961 30 10 IDEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359085191 FJTDREYIAGKMME-OAHLLOKOSA-N 447.337 2.000 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359304762 ISOPKBZEPSEMJF-QFIPXVFZSA-N 440.504 1.027 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1359305560 GVFPBAZHBKZVJZ-UHFFFAOYSA-N 434.953 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359327039 QHFQHKXEBAFGJV-UHFFFAOYSA-N 445.589 1.894 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCCOC2)C1 1359334246 YAQZEOVDLZDAEB-OAQYLSRUSA-N 431.562 1.872 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1359478307 QKFYIERVSQBFOR-YUWJWYLASA-N 434.541 1.796 30 10 IDEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1NS(C)(=O)=O 1441421155 LQHXODJRTJOSLA-LBPRGKRZSA-N 439.490 1.985 30 10 IDEE CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc2C)cc1 1450159019 RLTMWZGMWWAENE-KRWDZBQOSA-N 433.486 1.914 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)CC1 1455115295 NOBNZPFVYNBBHM-ROUUACIJSA-N 446.573 1.165 30 10 IDEE C#CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1455811068 MLCZJLRYHPWVQC-UHFFFAOYSA-N 429.477 1.072 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCN(c3ccc(C#N)cc3F)CC2)CCC1 1459436584 PRNMEGHHLFQBJL-LJQANCHMSA-N 438.569 1.821 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@H](O)c3nccn3C)CC2)s1 1466252276 ILEJHSRHXVXUPO-SFHVURJKSA-N 438.575 1.461 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1)C(=O)OC 1468873692 SQUHCZYNVTUHMS-UAGQMJEPSA-N 436.530 1.847 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1469764018 DZCIJJKSNGZUGE-IAGOWNOFSA-N 436.472 1.871 30 10 IDEE CN(C)C(=O)c1ccc(OC2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)nc1 1473633118 MTCAJVNNRHRRCM-UHFFFAOYSA-N 442.541 1.972 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCc2ccccc2S(C)(=O)=O)C1 1478402562 CAQRXWSPMUNJND-JKSUJKDBSA-N 436.534 1.691 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1494479135 PRJOEAGRGSRCON-IYBDPMFKSA-N 432.550 1.760 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H]1O 1503882082 RAKMGBBLEWKKQQ-JQERWDHBSA-N 439.516 1.992 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c(OC)c1 1504202270 FBMWFDRFYDFYMU-QAPCUYQASA-N 440.504 1.606 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1505136086 ARMTYFKVEVNXRL-QGZVFWFLSA-N 430.534 1.325 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507512269 DSSAWHKXEDPPRM-CABCVRRESA-N 428.459 1.235 30 10 IDEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1507570781 JIZQSZMEJADFJL-UHFFFAOYSA-N 447.561 1.751 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507617930 DDXQYBZXVNDBDW-KRWDZBQOSA-N 428.518 1.080 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1507690189 QSKRZNQVODDVQL-IBGZPJMESA-N 449.552 1.842 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1507722502 YUZADCCFZOZPEX-AABGKKOBSA-N 448.637 1.751 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)OC(C)(C)C)CC1 1507724126 HSQRYXYJWUWCOW-UHFFFAOYSA-N 425.537 1.544 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507965638 ULGCJZVDUOSKPS-FGTMMUONSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1508092664 SGSUJIZXOWYBGI-CABCVRRESA-N 431.497 1.169 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1517021109 IUWNJJSJMXTSEC-IBGZPJMESA-N 435.536 1.865 30 10 IDEE CN(CC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517079918 CPNKLDMMLWZLAX-FBMGVBCBSA-N 429.525 1.523 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnc(C)s1 1517624136 CUKOZZSDLHENQB-UHFFFAOYSA-N 431.547 1.767 30 10 IDEE COCC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518969279 QLVBIQHVSWSSLR-QHCPKHFHSA-N 449.515 1.586 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1538973565 NUSOHTHMNYUBFK-MEDUHNTESA-N 442.339 1.043 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1539002209 AVWHIRWFYROSPU-KRWDZBQOSA-N 449.559 1.761 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1539172401 YTMBDQCOBGIGAX-UHFFFAOYSA-N 431.456 1.171 30 10 IDEE C#CCN(c1nnc(C)n1CC1(N(C)C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1539206232 NPBVJKXCJMFDNY-FQEVSTJZSA-N 427.574 1.312 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539211261 KHTZISQYXTXFJR-OAHLLOKOSA-N 433.509 1.236 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1539390770 VEWJRSCVHJDWNR-SFHVURJKSA-N 440.479 1.850 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(N2CCOCC2)c1 1539415725 GHDXAWIDZAXPTO-HXUWFJFHSA-N 425.533 1.753 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cc(F)cc(F)c2)CC1 1539447888 YODLCQMOBUIMMI-KRWDZBQOSA-N 449.527 1.456 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1539566435 KAVRVWOAYCZJIV-RTWAWAEBSA-N 428.562 1.328 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539626902 HCJADZWQOOVWMV-MOPGFXCFSA-N 446.577 1.793 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539627717 LBJIBUSOOLIWBP-MTNOOBJLSA-N 446.552 1.925 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539705096 OITFBWVQOLJOKY-QGZVFWFLSA-N 449.581 1.301 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1 1541888625 GCEMXYYNSZTHOY-HNNXBMFYSA-N 427.534 1.662 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CCC(C)(C)O)CC2)c1C#N 1543002407 ZROYWPUKGHCIMY-QGZVFWFLSA-N 428.541 1.531 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Br)cc2-n2cnnn2)n1 1568522305 ZNXSTFBRCNEBIE-UHFFFAOYSA-N 444.293 1.543 30 10 IDEE CNS(=O)(=O)N1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 1568985598 FIMJKYURWDJHDT-UHFFFAOYSA-N 430.534 1.303 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1570238720 BWIBDNHECSWCRV-FQEVSTJZSA-N 444.598 1.719 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1587633290 UAPJWQBCMBUFEE-JKSUJKDBSA-N 427.596 1.009 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1587766503 VZJBLZYDNPHPJA-VQTJNVASSA-N 449.621 1.532 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCCC1 1588139752 QSMVMHMXJMQUKM-LJQANCHMSA-N 433.578 1.654 30 10 IDEE C#CCC1(O)CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1588765671 LNOABHHWWOCNFC-HSZRJFAPSA-N 445.519 1.877 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1593690710 NEFBSGMNSHRJMM-GOSISDBHSA-N 431.541 1.419 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1595467276 QXJFNLDZDOVNTH-HNNXBMFYSA-N 449.556 1.212 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1595501452 UIZQTPZUZAOXLP-HXUWFJFHSA-N 438.576 1.968 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1595545240 SNXZFAHMCGVTNK-ZDUSSCGKSA-N 443.533 1.821 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(=O)N(C)C)CCCC2)C1 1595714441 NVDPPPFPEWUJHI-SJORKVTESA-N 430.553 1.659 30 10 IDEE CC(C)c1nnc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1598486029 OVXFJLDCKDTFFM-XZHYIPMRSA-N 443.552 1.085 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1611307858 IDJJBAGAWDSVCY-HNNXBMFYSA-N 428.628 1.984 30 10 IDEE C[C@](O)(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1611719924 FBNXBSSYLWLWQO-MMOPVJDHSA-N 445.545 1.207 30 10 IDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1613342489 INUCCIVWQMFYGW-CVEARBPZSA-N 429.525 1.775 30 10 IDEE COCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1620077665 CPHLXLCPMXGHRB-FQEVSTJZSA-N 435.488 1.848 30 10 IDEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1620292406 BGUHJKXBXPUFQQ-MRXNPFEDSA-N 443.581 1.223 30 10 IDEE C#CCN(C(=O)c1cc(Cl)c(Br)c(OC)c1N)[C@H]1CCS(=O)(=O)C1 1625362763 CXPPRKJOFOMJOP-VIFPVBQESA-N 435.727 1.956 30 10 IDEE Cc1c(NC(=O)N2CCN(c3cnccc3C#N)CC2)cccc1S(=O)(=O)N(C)C 1625581964 CCIFNAGTRJSSQT-UHFFFAOYSA-N 428.518 1.866 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1)C(=O)OC(C)(C)C 1628831249 UPSHLWOCJSADLE-RBUKOAKNSA-N 434.581 1.696 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1 1632965551 ALTZLSOHMFCIBS-UHFFFAOYSA-N 434.905 1.753 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NCc2ccc(C#N)cn2)CC1 1635890132 PBDDCSNHONRSKC-SFHVURJKSA-N 442.520 1.707 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)nn1 1636330586 IQXKBQPWZCCHBU-OAHLLOKOSA-N 434.497 1.016 30 10 IDEE O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N[C@H]1CCCN(O)C1=O 1636546879 ZTKAIKIWXIBUIG-HOTGVXAUSA-N 449.508 1.852 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)c1 1636886616 XVMHWPIRAOUOCL-MUUNZHRXSA-N 442.559 1.067 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1637004706 MGKWBUIPDZJRSL-HRAATJIYSA-N 443.573 1.710 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1638705637 JGDGHWFFDXDCDZ-IAGOWNOFSA-N 437.537 1.906 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN(C2CC2)C(=O)O1 1639115570 BKEOGEZBFINXAA-OAHLLOKOSA-N 434.518 1.385 30 10 IDEE CCOC(=O)[C@]1(F)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC12CCC2 1641276357 MNLNEJMIUPQLBO-HXUWFJFHSA-N 437.493 1.399 30 10 IDEE C=CCN1CC[C@H](N(C)C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1=O 1645435378 YEVQPCDFQZTNSZ-MSOLQXFVSA-N 428.489 1.117 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnn(C)c1C(F)F 1653287106 INEUKXONHQFZHI-NSHDSACASA-N 426.449 1.989 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)C1=O 1654148713 JAFJVPMMDQQFGK-WMZHIEFXSA-N 435.484 1.412 30 10 IDEE N#C[C@]12CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1655915032 YCAQEJWDIMJSHN-TVQRCGJNSA-N 439.393 1.263 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1656828675 VMOAKBZGZFBRHS-UHFFFAOYSA-N 443.481 1.799 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1681597867 HZOXVPWCPQLLPB-SFHVURJKSA-N 435.569 1.195 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3)C[C@H]1CS(=O)(=O)C2 1683238651 ILWICAAOCUGYNY-YEWDVWPNSA-N 426.901 1.638 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1689989243 CINMZJWDUNEPDN-RBUKOAKNSA-N 446.577 1.165 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1690001768 RTNXBZAXARGKDJ-LAUBAEHRSA-N 429.546 1.259 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)nc(N2CCCC2)c1 1690102114 CSMGTMRKKOYUPX-IBGZPJMESA-N 437.548 1.667 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690321469 BXRKUCXSYVNFAD-RBUKOAKNSA-N 432.569 1.465 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)CC1 1690411710 SFXHLTAVYRGMOF-SFHVURJKSA-N 433.534 1.742 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690509069 WBIYRSNIJMNZBF-ZHRRBRCNSA-N 446.552 1.579 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1693782916 GBLKZYGAVHRLBU-MAUKXSAKSA-N 430.534 1.466 30 10 IDEE CCN1CCN([C@H](C)Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1695873883 ZFCSMNUEBVTNNN-MZKRTTBSSA-N 447.628 1.941 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c(OC)c1 1697361882 UMMBSANDOLMKPJ-RTWAWAEBSA-N 428.468 1.883 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705507948 NBKSGZHCMAXXBM-JOCHJYFZSA-N 425.537 1.803 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1705596196 WQBPEURAPOYLSH-UHFFFAOYSA-N 427.530 1.051 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@@H]1OC 1705624016 NEWKBFFFXBJXAT-ICSRJNTNSA-N 436.520 1.822 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N1CCCC1 1705627578 KUNALRHHJUKZTH-ROUUACIJSA-N 426.521 1.745 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cccn2)cc1 1705630493 VGOYVEIBYAHBJP-UHFFFAOYSA-N 433.516 1.721 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)CC1 1705641892 YERHGNSXIXTLMF-UHFFFAOYSA-N 440.573 1.471 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CC2)CC1 1705645490 VQTFTMYZVORGLW-OAHLLOKOSA-N 448.593 1.044 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705660162 OHZVGXMYXIKBSN-OAHLLOKOSA-N 447.634 1.599 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1705843644 KMLZMPJGZZMSET-ZFWWWQNUSA-N 440.595 1.802 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705846967 ZOOSWCKIVBUTAE-RTBURBONSA-N 447.609 1.966 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1705878421 OVJPCKIDHGNPRP-KNQAVFIVSA-N 446.573 1.567 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705898263 GWVPQZGNYOISHQ-LSDHHAIUSA-N 429.912 1.543 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC(CC)(CC)C1 1705934675 URACAYFKAIDNSL-HNNXBMFYSA-N 441.623 1.942 30 10 IDEE Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1707933046 ASKIXEXHPIBREJ-UHFFFAOYSA-N 443.533 1.997 30 10 IDEE CCO[C@]1(c2nnc(N3CCCN(CC)C(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710474932 SJOJETFXXGELTM-OAQYLSRUSA-N 428.493 1.502 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1722302899 LRYSVUXTRWKXQM-KKSFZXQISA-N 448.545 1.263 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722318611 FEJJLVGKOICSOQ-QZTJIDSGSA-N 428.537 1.742 30 10 IDEE C#CCCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722323292 SMKZLZMFZHZSCX-SIKLNZKXSA-N 433.553 1.464 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1722344145 HAQLAWRFQMNGFV-INIZCTEOSA-N 427.534 1.386 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1722369850 BCKCSXNMOAXXDF-UHFFFAOYSA-N 429.488 1.364 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722479174 GEBXDIRJYZIQFD-CXAGYDPISA-N 444.330 1.942 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1722592846 ADBZHUMCYQIJNA-GCJKJVERSA-N 435.569 1.874 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1722641131 XWUKDKPNFNHFJT-JKSUJKDBSA-N 425.530 1.870 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722696331 JEOHOCFXHJTNPW-INIZCTEOSA-N 426.496 1.978 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)NCC)CC1 1722726068 YLWOGHMQVXJEPA-UHFFFAOYSA-N 446.577 1.706 30 10 IDEE COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730705636 AGHKIHXNQSHNDL-KSSFIOAISA-N 428.493 1.574 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740577249 WWRLXWDDNMETFZ-QGZVFWFLSA-N 440.552 1.779 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@H]1CCOC1 1740607537 UZCFODJALZCJMY-QGZVFWFLSA-N 446.577 1.751 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740624635 JDNZRZCFPKGJFJ-KPLVRAHFSA-N 445.589 1.688 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740627001 OBWXIVCDFLOOBG-GUDVDZBRSA-N 444.557 1.876 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)nc2)CC1 1740695612 YPKFSUJGOPGBCL-UHFFFAOYSA-N 430.516 1.805 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCS(C)(=O)=O 1740737252 FLNHLFQFVQDFPL-UHFFFAOYSA-N 434.360 1.294 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@H]2C1 1740739594 WKEGGZBJMZSGTJ-OLZOCXBDSA-N 429.319 1.125 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C(=O)NC 1740969594 SOVWLOMAIJJQGM-DOTOQJQBSA-N 426.521 1.661 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740989805 YOSCGRVKFLOMRH-KRWDZBQOSA-N 434.566 1.189 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1741001650 AGHABBSXRBGFPX-LTIDMASMSA-N 426.608 1.961 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1741003532 WKQNLEDMMBGUMW-YCRPNKLZSA-N 448.593 1.906 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC[C@H](C)N1CCCCC1 1741903971 GHCUCUZIESLTLM-IKGGRYGDSA-N 425.603 1.891 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1748731977 PISSLLVUMQWDRB-YOEHRIQHSA-N 434.570 1.352 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748802382 OTEQTPGIYVYBIS-QGZVFWFLSA-N 437.610 1.313 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1748922596 DRYZHWNUZAJFNJ-XMMPIXPASA-N 449.559 1.762 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCNS(C)(=O)=O)CC1 1748979666 IMEYQQHWVPBEMH-UHFFFAOYSA-N 442.545 1.386 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC(C)(C)C)CC1 1748994315 DLFJDEGWTVKCRP-UHFFFAOYSA-N 426.569 1.200 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1749428150 ZUEQJKAPWHDSCZ-OWCLPIDISA-N 429.612 1.907 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749457809 UXFMOXZAMISMQN-GOSISDBHSA-N 425.537 1.846 30 10 IDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O)C1CC1 1749515723 ARMMJLQBEAZJKK-UHFFFAOYSA-N 428.518 1.391 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1749830080 DLCNYVGINIHVFP-CABCVRRESA-N 435.529 1.509 30 10 IDEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)N1CCOCC1 1750595270 BXLPAPZCWHHYJR-IBGZPJMESA-N 429.569 1.497 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1751036714 CFYYQWLABQRRRV-WMZHIEFXSA-N 438.532 1.925 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1760122721 QYPPBLHLZWTHEV-DYESRHJHSA-N 432.546 1.481 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)COC)c1 1760127409 YLYSJDRLDCYTMA-KRWDZBQOSA-N 438.532 1.853 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O 1760214354 KVJWYYMPLFXFQD-UHFFFAOYSA-N 429.502 1.076 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1760219850 QATWNNQLDLHFTE-DENIHFKCSA-N 435.528 1.974 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1760219923 SKFCAUYGHXPCGY-RTBURBONSA-N 444.580 2.000 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC(C)(C)C2)CC1 1760257795 AEIXWXMVICPVMI-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760281600 UVOWWVQCGKFQFN-MRXNPFEDSA-N 426.550 1.021 30 10 IDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1760357139 FHTVPINCZWHAPL-GOSISDBHSA-N 436.534 1.864 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760376716 AZUJVRZQVFHAME-UHFFFAOYSA-N 429.956 1.761 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1cccc(O)c1 1760549199 YPMFQKWQSOTLFO-OAHLLOKOSA-N 435.550 1.920 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1760698396 IDQOLASPQOKRRX-GJZGRUSLSA-N 443.474 1.259 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H]1C 1767131644 FGMWXFQENIFIPG-HNNXBMFYSA-N 447.490 1.640 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1769133895 IAJSTNAMJRDSJX-VQTJNVASSA-N 438.532 1.960 30 10 IDEE C=CCN1C(=O)C(=c2sc3nc(=O)c(C)nn3c2=O)c2cc(Br)ccc21 1772719187 JMSLDVLOKMGTRE-UHFFFAOYSA-N 431.271 1.033 30 10 IDEE C#CC[C@H](C)C(=O)N(c1ccccc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 1850378642 QYLKDLOVKVFLTQ-SFHVURJKSA-N 436.516 1.869 30 10 IDEE COCCN1C[C@@H](C(=O)N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)CC1=O 1850487576 CEEINGHNFQBRJF-KRWDZBQOSA-N 429.498 1.433 30 10 IDEE N#Cc1c(NC(=O)[C@@H]2CN3CCN2CC3)n(CCc2ccccc2)c(=O)c2cccnc12 1852578814 AQSUGWCARHTSSH-FQEVSTJZSA-N 428.496 1.449 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 1853316979 TZBLWXICMAPENL-UNMCSNQZSA-N 436.464 1.963 30 10 IDEE CN(C)CCON=C(Cc1cccc(F)c1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853404364 UVANQLYKFZVAHC-UHFFFAOYSA-N 434.493 1.733 30 10 IDEE CN1CCC(=NC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)NC1=O 1866006052 LLZCUFAZOXUIGD-OAHLLOKOSA-N 432.477 1.983 30 10 IDEE COc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870156114 VXVYMWBYKSGZKX-UHFFFAOYSA-N 432.396 1.391 30 10 IDEE CCOC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCO)CC1 1870350404 DXTUXNIUXFQWSV-UHFFFAOYSA-N 440.500 1.565 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCCN2C(=O)c3ccccc3C2=O)cn1CCO 1870377818 XNYOLHFHDGPKFR-UHFFFAOYSA-N 437.496 1.690 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN(CCO)CCO 1870698461 FVMLURXKZURRAB-UHFFFAOYSA-N 445.516 1.237 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)ccc21 1889365459 NREHOEZOAFFGJA-MRXNPFEDSA-N 428.533 1.973 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)=C[C@H]1O 2022935101 OHJHMIKZKNOJMB-BZUAXINKSA-N 436.509 1.542 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060637446 LEKJLZRRQGPJJF-KCQAQPDRSA-N 440.321 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085662339 XGYXWKJUQJEPBA-HUUCEWRRSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128722107 SKIRAXGCPHXKEQ-INIZCTEOSA-N 447.341 1.371 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1C#CCO 2164496937 NROSZUURWXSXQK-OAQYLSRUSA-N 430.457 1.797 30 10 IDEE CC(C)(C)OC(=O)N1CC(OC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243702149 LLRSPSISLAPWAW-UHFFFAOYSA-N 426.304 1.427 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(N)=O)C1 2254643359 FNQYTAOEUYVPSY-NRFANRHFSA-N 433.314 1.625 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255616771 RAEMXJSYODUVQJ-STQMWFEESA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255626226 CXAYQGUPTYQHMG-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629665 ZLPJJCFZNNENPG-UONOGXRCSA-N 434.346 1.942 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255696635 XBNBGHXIEHVIKW-UONOGXRCSA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2255879872 WRCLASICUMXFMP-BJWYYQGGSA-N 429.326 1.976 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267125894 IVRAXAVVQWSTDQ-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267195293 JLTKSGMQXCQTFY-CQSZACIVSA-N 449.361 1.586 30 10 IDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)OC1(C)C 2267369901 DCLIGJNCDZQCPW-CYBMUJFWSA-N 429.369 1.821 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267487720 QDBDLVWCVYQMAK-DZKIICNBSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267592928 HQZMKTBESFFGSX-GJZGRUSLSA-N 444.341 1.715 30 10 IDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267873804 SHAZXNOBTGAAKG-FOLVSLTJSA-N 444.341 1.713 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC[S@@]1=O 2282306900 ULJOQOIVLCKWHH-JUTIIYIPSA-N 439.817 1.842 30 10 IDEE O=[N+]([O-])c1cccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)c1 2293103957 LMSLAIDMZYDXDX-HXUWFJFHSA-N 445.453 1.140 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)n1C 2337276497 HSTGSAUNNYUPLN-UHFFFAOYSA-N 436.365 1.986 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccncc1 21324512 FPUKZFXSKDQSBX-FSJBWODESA-N 440.489 1.725 30 10 IDEE O=C1/C(=N/n2c(=O)[nH][nH]c2=O)c2cc(Br)ccc2N1CCc1ccccc1 59157070 BSFHVAQSTKWTKN-PXLXIMEGSA-N 428.246 1.469 30 10 IDEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)c1 59914442 ZVEYBIUTPPGDPF-UFFVCSGVSA-N 444.521 1.227 30 10 IDEE N#CCC(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169860243 HNTDMLHRFJYPKE-OAQYLSRUSA-N 444.491 1.915 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)C2=O)cc1 426241980 FAXKOXACVHJOLS-GDAPPMFXSA-N 432.524 1.862 30 10 IDEE C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 431247630 OKSQTCKNQWRVDL-QIEVIBBNSA-N 440.500 1.948 30 10 IDEE CCOC(=O)c1cnc(N2CCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)s1 440330672 VPEIDHBXRLNURY-UHFFFAOYSA-N 433.515 1.976 30 10 IDEE CC(C)CN(C(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 440615369 HPWUPFJINYZVCN-LEWJYISDSA-N 432.590 1.541 30 10 IDEE Cc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1C#N 443964728 NSOJKVPLOFEVBM-UHFFFAOYSA-N 441.556 1.428 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(C)c2=O)cc1[N+](=O)[O-] 446150728 ATTYYRUXVAEJBU-UHFFFAOYSA-N 439.424 1.889 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447269642 CFKPPOSKDSAOAY-UHFFFAOYSA-N 426.448 1.520 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(C)C 447778681 KBMJXFKBNNNGKG-UHFFFAOYSA-N 435.553 1.781 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)c2C)nn1 461739726 YSATZANSSBVAPZ-UHFFFAOYSA-N 429.444 2.383 30 10 IDEE CN(CCC#N)S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 474391606 JGAOFKBZXNBFQV-SJORKVTESA-N 436.534 1.350 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(F)c1 480729044 MKZBEPIEQAIQFI-UHFFFAOYSA-N 435.502 1.604 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CCS(=O)(=O)c1cccc(C#N)c1 513786053 YSGRTZITYNQRKW-UHFFFAOYSA-N 435.483 1.190 30 10 IDEE CSC[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 521945773 JJTJGTGESCQGLA-FGTMMUONSA-N 441.557 1.509 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 523579693 BPYVISBCLLECLG-UHFFFAOYSA-N 445.610 1.812 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 549285083 DQOVFMMKZDEKAP-GOSISDBHSA-N 435.550 1.832 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 557076248 FRIUABLSUNVBII-KRWDZBQOSA-N 427.548 1.260 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 559008319 FTZRIRBNDWZLSE-DLBZAZTESA-N 427.571 1.438 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CC2)C1=O 559143136 XJEGRDWPPLLVJB-KRWDZBQOSA-N 435.488 1.516 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCCCO1 559223648 HZHYNUXOOAKDRP-SFHVURJKSA-N 438.536 1.579 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC 583804892 FSKWSEUKXOVAGG-APWZRJJASA-N 449.577 1.873 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccccn2)C1=O 730143361 AJRVSXHDNQAQTO-KYVIQDPYSA-N 440.573 1.587 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 734293452 WFFPBPFGGYXVKT-UHFFFAOYSA-N 447.538 1.773 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749856952 QGROWJVRCTWDHL-HNNXBMFYSA-N 426.542 1.425 30 10 IDEE CC(C)(C)OC(=O)N1CCN2C(=O)N(CN3CCN(c4ncccc4C#N)CC3)C[C@@H]2C1 751593945 SGEAJIWGPRRNNE-SFHVURJKSA-N 441.536 1.390 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 751927179 XHZBWEYAHJGGDQ-RHSMWYFYSA-N 444.561 1.082 30 10 IDEE CN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)Nc1ccc(N2CCOCC2)cc1 754350504 UYUJBIXXKZDKOO-UHFFFAOYSA-N 442.541 1.739 30 10 IDEE Cn1ccnc1[C@](O)(CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(F)(F)F 760657312 NTYFDJMFHNRDRT-GOSISDBHSA-N 437.426 1.359 30 10 IDEE CON(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 760917394 BQUWBHSLQWPXAQ-UHFFFAOYSA-N 430.490 1.489 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1 763937881 MVLPEBXOEBNVIN-OTUOZYHDSA-N 435.506 1.558 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 765695632 GJINONMOSDGTSK-GOEBONIOSA-N 436.534 1.741 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(Cn4cc5c(c(C#N)c4=O)CCC5)CC3)C2=O)n(C)n1 766631778 JKCBVWZFOPTZLJ-OAQYLSRUSA-N 449.559 1.021 30 10 IDEE CC(C)[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 766641433 YTVLUNKYDLVIEM-HNNXBMFYSA-N 430.324 1.748 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1cc[nH]n1 772147108 ZFKXMQHAOGJRSE-CQSZACIVSA-N 427.461 1.698 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 777005899 SOBAIVZQBKZVRV-HNNXBMFYSA-N 438.525 1.984 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnn(CC3CC3)c2)c1 777622142 UVYHHOGIBDLIRF-UHFFFAOYSA-N 428.514 1.329 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn1ccccc1=O 790681346 BFHWNTQTJVUUMH-AOMKIAJQSA-N 427.457 1.486 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802581278 MEUWVQKZZJMDAP-KRWDZBQOSA-N 430.516 1.945 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 802593617 MBGBYUREMWNCNP-LJQANCHMSA-N 442.520 1.622 30 10 IDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1OC 805092581 NVFIARUOBYFPPJ-UHFFFAOYSA-N 446.485 1.268 30 10 IDEE C[C@@H](CC(=O)N1CCC2(C1)Oc1ccccc1O2)/N=C1/NS(=O)(=O)c2ccccc21 808470893 MCJQCSYZUYMYBI-AWEZNQCLSA-N 427.482 1.904 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cncn3)n2)cc1 1125202247 IGDAAKVHBRVRLM-MOHJPFBDSA-N 425.474 1.727 30 10 IDEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@](C)(C#N)CN(C)C 1128703928 QZKCJJALVIUQRS-PKOBYXMFSA-N 434.338 1.938 30 10 IDEE CC[C@@H](Sc1nc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cs1)C(N)=O 1136107757 PQMQCARESLCKTR-OAHLLOKOSA-N 430.559 1.657 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1136575043 KEQOSHKTOSYAEC-HMDCTGQHSA-N 440.466 1.664 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)C2)C1 1138059662 RVKCAKDMBIBQMU-KMFGOTIKSA-N 425.551 1.809 30 10 IDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1152697373 YEOQPAFWUVGGMV-CQSZACIVSA-N 438.278 1.178 30 10 IDEE C#CC1(O)CN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)C1 1158398836 YYNMTSCZSCCWTM-HOCLYGCPSA-N 426.332 1.249 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)C2=O)cc1 1226111448 JCWQJGADVGKLBV-MOPGFXCFSA-N 430.530 1.662 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286350053 TUXPIEFUORVPCZ-FQEVSTJZSA-N 428.581 1.720 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286383693 YXSUOASTYSQYQD-LMNJBCLMSA-N 440.548 1.740 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)CC 1286431487 OGSXPFOPWJCHOR-HKBQPEDESA-N 439.589 1.684 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286434715 UTNWVLXNEGLACS-NRFANRHFSA-N 446.504 1.009 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@H]1NC(=O)CC1(C)C 1286469906 MTTNRZDWXWBSTE-GOSISDBHSA-N 429.496 1.997 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NCC)CC1 1286473843 YPDQFZWLBNNLIU-QHCPKHFHSA-N 446.596 1.236 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)n2CC(C)(C)O)CC1 1286478422 BKSDVHZCBXMORX-UHFFFAOYSA-N 449.559 1.762 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC[S@@](=O)CC)CC1 1286479075 JXMNOCOLLKYUOM-HKBQPEDESA-N 439.545 1.118 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1286522176 IGWFGCPNVUTLQK-BBTUJRGHSA-N 436.578 1.616 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nccs1 1286546775 LPDYSIVLLKXFMO-DZKIICNBSA-N 440.595 1.962 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286683526 SWAKRDGCXFSDSK-IRXDYDNUSA-N 438.598 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286824752 IDONJYZOUNZXRG-FUHWJXTLSA-N 434.566 1.848 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@@H]1C 1291176269 XHKYVUXUOREWQM-HZPDHXFCSA-N 432.550 1.903 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCC(=O)NCCCc2c[nH]nc2C)c1 1293442626 SOOAYTSFAJDIJN-UHFFFAOYSA-N 430.530 1.384 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300340225 WUYOYALJNYGGPQ-WBVHZDCISA-N 435.554 1.003 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1300422079 XSBZXQYFGPGASP-HOTGVXAUSA-N 426.546 1.930 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300491988 KOMHPSFMYGZDNK-NVXWUHKLSA-N 447.948 1.558 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1300537393 GKQLSTUMCKRVHR-SFHVURJKSA-N 439.541 1.509 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1300637624 IKIYWQMNCQPPKY-DQRAZIAOSA-N 445.483 1.715 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@@](C)(C#N)C3)CC2)cc1 1301266449 WDGCWHUUXXUGPK-NRFANRHFSA-N 432.546 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301586954 KVZMYSXEQDUQPX-UHFFFAOYSA-N 435.525 1.429 30 10 IDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1301768191 TVZCOTDBXQGEEX-OXQOHEQNSA-N 425.537 1.903 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)N(C)C 1303693942 BSRZMJZIBIKYEF-OAHLLOKOSA-N 436.520 1.287 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1303770742 BPDGPGDQLKONAB-XOBRGWDASA-N 430.534 1.164 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCCCN3C)nnc12 1306899671 JVGYCESHGUFODS-OAHLLOKOSA-N 426.546 1.923 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1309437256 RLBYCPUGUVFZBO-LJQANCHMSA-N 447.557 1.436 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 1309802818 YVEHAPORFVBFPG-UHFFFAOYSA-N 440.374 1.384 30 10 IDEE CN(C)CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1314670399 DWDNPEBYDHLNOD-LJQANCHMSA-N 434.504 1.453 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1358915704 MPXKIQWJAHFYAL-OAHLLOKOSA-N 435.575 1.696 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 1359023232 DSXOTQCUNJQRBB-GHTZIAJQSA-N 436.560 1.762 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCC=C)CC1 1359034564 WCOIHXQEZDXNMU-UHFFFAOYSA-N 433.516 1.942 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)C(C)(C)C)CC1 1359044178 YIAKTCDORYAMDH-GOSISDBHSA-N 427.553 1.706 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N(C)C[C@@H](C)C#N)CC1 1359401911 HYVMDENIKFGKPP-KRWDZBQOSA-N 427.528 1.768 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359553037 LWDAIXVKDYDFCO-QGZVFWFLSA-N 439.520 1.969 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)o1 1437013191 PLTDFWOXDPMLOK-HNNXBMFYSA-N 430.486 1.422 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)o1 1460717833 LIULIXFPZGMSPL-GOSISDBHSA-N 438.488 1.461 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4n(c3C#N)CCOC4)CC2)cc1 1463333197 FNUUTPHNRSZUJN-UHFFFAOYSA-N 429.502 1.633 30 10 IDEE C[C@@](Cn1cccn1)(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(N)=O 1472313351 KMVSFQCSOYYJLT-SFHVURJKSA-N 431.294 1.014 30 10 IDEE CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850728 RMBNFLKMLTVVNL-WTOJCKNJSA-N 439.559 1.684 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)=O)ccc2Br)CC1 1477018881 ZHZSUIJSQZOVGJ-UHFFFAOYSA-N 443.323 1.269 30 10 IDEE CCCN(CCC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1500845119 ZVNFHDDFNUVXAM-QGZVFWFLSA-N 436.538 1.750 30 10 IDEE CN(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1503404399 KXFPZRAFFZNZJY-GHTZIAJQSA-N 430.484 1.811 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1505078393 RZOKZCXLFYFFGT-REQNGYFYSA-N 444.536 1.765 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccco1 1507644550 KAMFAPVTZDLZFE-QFIPXVFZSA-N 428.456 1.494 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CC2)CC1 1507734363 WIZXYVRKFBVECU-UHFFFAOYSA-N 430.578 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCOCC2)CC1 1507739163 NVPPVYYTXXBJRI-GOSISDBHSA-N 431.537 1.027 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507853422 GAQZZTKDAIHUHQ-AWEZNQCLSA-N 437.932 1.422 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCN(CC)C2)CC1 1507884904 NGOYNSUWJFZJFR-QZTJIDSGSA-N 438.598 1.109 30 10 IDEE C=CC[C@@H](Cn1c(COCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1507928371 IXCYCXOKWKPBCJ-RBUKOAKNSA-N 438.532 1.322 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1507942830 FMJFXDPKNCDHRG-YIOZNXECSA-N 427.571 1.627 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnccn2)CC1 1507964945 IYDGZBGKKDUSLL-UHFFFAOYSA-N 426.525 1.110 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1Cc1nnn(C)n1 1507997929 ZXDUUZBWEQZDJC-UHFFFAOYSA-N 437.508 1.174 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)CC1 1508080869 SEHPKEUVZCLBTI-UHFFFAOYSA-N 431.566 1.777 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1(O)CC1 1509686852 ZWVARYUXSJSREV-UHFFFAOYSA-N 443.939 1.793 30 10 IDEE C#C[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 1535484037 VLYPFFHNTSXURJ-INSJMTBZSA-N 431.286 1.792 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1539202799 LJLUIELAEGIWBJ-WMZOPIPTSA-N 435.594 1.725 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1539233025 XYRHCZFOICHAMN-UHFFFAOYSA-N 447.543 1.643 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC=C 1539257549 LTEGPKCPNSWMGQ-UHFFFAOYSA-N 434.525 1.804 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)OC)CC1 1539452134 LQLVCPWFFNSUJA-ROUUACIJSA-N 448.568 1.377 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539484178 FVVLEOPNBMTWII-OAQYLSRUSA-N 442.608 1.553 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1539614503 ADEQHOYYRSRIMN-NXOAAHMSSA-N 427.571 1.485 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1540867989 OLKOECAQXPSDSG-UHFFFAOYSA-N 432.550 1.027 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2)C1 1540883489 AOSLUIBWVFUNGF-XHSDSOJGSA-N 429.612 1.955 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1540964959 SOUTYQTYMIAFBD-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE C=CC1(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1544079075 DOWYGUUHHOCBJX-IAGOWNOFSA-N 442.578 1.994 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1555581370 GIBGHXOEHDAZSK-HXUWFJFHSA-N 426.521 1.391 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1=O 1555583234 YQDFLWYUDXCVIW-UHFFFAOYSA-N 434.447 1.393 30 10 IDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1555986434 KVIQTIMPTQGGPU-LSDHHAIUSA-N 447.421 1.210 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccc[nH]3)n1CCSCCCO)C2 1555987740 MVUUGZDYRRZGEG-UHFFFAOYSA-N 425.518 1.924 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1555992803 BXPNHVCXONFFHY-RTBURBONSA-N 445.545 1.863 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2ccccc2)cc1Br 1565630206 UUHBQBKDBBFTAR-VLGSPTGOSA-N 430.262 1.891 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)C1=O 1586016121 OFACJMMUUWBXDH-UHFFFAOYSA-N 435.484 1.760 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1588059267 LAPFEUBYBJJTFP-QZTJIDSGSA-N 444.605 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1588174635 YJTAWONYOUIEDL-UHFFFAOYSA-N 441.495 1.796 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595595521 WYRNLFWQASDKFG-SJORKVTESA-N 443.460 1.282 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CCO1 1596640694 BCTOITASEFSBPG-NRFANRHFSA-N 435.532 1.420 30 10 IDEE N#Cc1cc(Br)c(OC(=O)c2cn(CC(N)=O)nn2)c(Br)c1 1611102186 CZWABQUQZYDSRC-UHFFFAOYSA-N 429.028 1.379 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)C[C@H]1CS(=O)(=O)C2 1611161002 ZVNNYXFHOZVPJD-LIRRHRJNSA-N 434.495 1.264 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc([C@@H]4CCOC4)n[nH]3)C2)C1 1611592705 VGIBTUUZSQIWNP-IVASOFTHSA-N 430.509 1.712 30 10 IDEE CC1(C)C[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1611780926 DEECFWPHGBZOGU-IAGOWNOFSA-N 436.582 1.787 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1614174469 PALHTOJGAZLBAB-MEUCICPISA-N 443.552 1.959 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1ccncc1 1616922509 CCZGESUODRFWKM-KRWDZBQOSA-N 433.520 1.829 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)N1CCOCC1 1620098350 WSVIFDUFKZOTBZ-IHPCNDPISA-N 432.569 1.853 30 10 IDEE CSC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620185232 IXCHODYRMPIITF-HNNXBMFYSA-N 427.534 1.906 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1622518671 JBAKLOPFODXBFW-ZBFHGGJFSA-N 435.477 1.858 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(OCC(N)=O)c(OC)c3)n[nH]2)c1C 1625879153 DVAUARYBXITQMN-UHFFFAOYSA-N 438.488 1.879 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1626364580 RSPNUYDZHZOQNZ-FHWLQOOXSA-N 438.546 1.814 30 10 IDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1629218057 CDVPLTHKQOFFNE-MLGOLLRUSA-N 446.472 1.963 30 10 IDEE C[C@@H](CC(=O)N1CCN(Cc2cncs2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1631263598 DCEHVHBGFMREQQ-AWEZNQCLSA-N 433.559 1.305 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 1634689430 IKUJNVJMROZEBY-MRXNPFEDSA-N 443.525 1.901 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1635488825 YNNINQSBQKSHLQ-FQEVSTJZSA-N 430.486 1.444 30 10 IDEE COc1n[nH]c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1Br 1636240910 MORCVDYQHJALJV-QMMMGPOBSA-N 428.268 1.358 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c(=O)nc1O 1636573873 LRUNJIAHVKYOEJ-UHFFFAOYSA-N 428.277 1.990 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC#C[C@@H]2CCCCO2)CC1 1637186853 ZVXMFIJNPFQJTJ-SFHVURJKSA-N 448.541 1.563 30 10 IDEE C=CC[S@@](=O)(=NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 1640208212 KJIDORJCFVGCMK-LJAQVGFWSA-N 447.538 1.660 30 10 IDEE C#CCN(C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CSC1 1640233535 CQEHLVDHKCKKHS-UHFFFAOYSA-N 438.571 1.874 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc1 1651503753 WUCSUHPQPSBSKO-CEXWTWQISA-N 449.573 1.423 30 10 IDEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H](C)CN1CCO 1659063987 HQBVBFSRKYWLNF-QRVBRYPASA-N 443.592 1.743 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCC3CCC(S(C)(=O)=O)CC3)CC2)c1C#N 1684133968 UGKNVKRWDXHYDX-UHFFFAOYSA-N 425.580 1.758 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1689831664 PBSACPFOPSGMEJ-HRAATJIYSA-N 432.546 1.840 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1689944373 PLJDLISQLBCEOB-UHFFFAOYSA-N 425.493 1.862 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1689948245 UEYOIORVMDAOKY-APWZRJJASA-N 445.486 1.651 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689986657 UQXOSTILQZYZLV-IERDGZPVSA-N 432.521 1.872 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689988592 RZYWIUKFGHNYCC-CQSZACIVSA-N 427.477 1.572 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992999 SUGBALLKHGONBR-RBUKOAKNSA-N 445.589 1.952 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690172358 CYHOZNIKPBFZCC-JKSUJKDBSA-N 444.565 1.418 30 10 IDEE C=C(Br)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1690235221 ZPMMPRHALDXJJL-QZTJIDSGSA-N 440.342 1.698 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1690315770 MLLMIIPMKVDSRB-UHFFFAOYSA-N 425.537 1.851 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690470771 KXNIIBRJXVRJSU-HUUCEWRRSA-N 433.600 1.258 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)N(C)C 1690527205 KZDQHAUIVGXEDE-DOTOQJQBSA-N 438.554 1.129 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690672033 GEQQTBGYLRQPJL-IEBWSBKVSA-N 445.612 1.158 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690729268 KIZUNVOCTIPPGR-OAHLLOKOSA-N 441.579 1.758 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1691004541 SCOVXUQYKVQTCM-PDOICOKGSA-N 437.566 1.504 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1696656172 GMKAAZPJEMEUTP-UHFFFAOYSA-N 447.565 1.107 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1697023064 FIJSBHUPALUHJP-QGZVFWFLSA-N 440.533 1.093 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCC=CO2)c1 1698293503 GANUOGIEGWNELB-IRXDYDNUSA-N 429.502 1.770 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1705558998 NVYPYPBXYVBTFN-SFHVURJKSA-N 429.546 1.400 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1705562276 ZGYVUVLOIMWSOU-INIZCTEOSA-N 444.623 1.417 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705566344 MSXBZVXXFMZXNA-MOPGFXCFSA-N 435.594 1.632 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705569260 AEHCQQLLWKTTEB-MRXNPFEDSA-N 442.607 1.071 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNS(C)(=O)=O)CC1 1705771385 RGWWOHUMNTZXNX-UHFFFAOYSA-N 438.579 1.365 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705806102 WVEPSPSXQWBTIN-QGZVFWFLSA-N 435.594 1.985 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705824201 JBYLPMYJUHMTMY-OALUTQOASA-N 448.568 1.543 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1705867269 KTCBDVZFFLQYLQ-RTBURBONSA-N 443.596 1.247 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705902482 FTHOPHBNORJTMO-MRXNPFEDSA-N 427.505 1.664 30 10 IDEE CC(C)(C)OC(=O)NC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)COC1 1706162271 VSFBRSVJRKPTFQ-CVEARBPZSA-N 448.524 1.195 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1709902356 LREBYSCZLMNFSG-QHCPKHFHSA-N 437.548 1.596 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1710330548 ZPAUQIXETDEIJX-UHFFFAOYSA-N 435.532 1.422 30 10 IDEE COCC1=CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712219627 QHGLWFZGZBYAJH-XUTLUUPISA-N 435.488 1.649 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1722283472 VGOURKDECYPLQC-HNNXBMFYSA-N 427.534 1.435 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCN(C)C1 1722427557 PHQOORHEMCVYHX-HSZRJFAPSA-N 427.549 1.627 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1722438368 PYJKJWYVVBJBFL-UHFFFAOYSA-N 435.507 1.526 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1722602733 BVBZJYOIXAQFQW-QGZVFWFLSA-N 433.582 1.597 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722693214 GWDBFHBOQFHPFG-INIZCTEOSA-N 441.492 1.651 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722705548 DOCOSFMEKKDJQL-NRFANRHFSA-N 444.467 1.329 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[C@@H]21 1722730170 KMMDLYZIOQRWPX-CABCVRRESA-N 435.575 1.859 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCSCC1 1723940421 BZEDFQUKXVGSGZ-MAUKXSAKSA-N 441.627 1.067 30 10 IDEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1730926203 FGCVAQOVXQEFGV-NRFANRHFSA-N 440.548 1.639 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(CCCO)CC1 1731217506 GCRBKHZUERURCG-JLUOLNIDSA-N 444.536 1.297 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCN(CC)CC2)CC1 1740697699 CTJMYUFNCKZYGK-UHFFFAOYSA-N 436.608 1.047 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740721127 XPQGNPIIRCEQME-KRWDZBQOSA-N 437.573 1.940 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740961919 MFVGSWMJYUKERP-XMMPIXPASA-N 432.528 1.972 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740963374 IZDJMNWPFOAIQQ-SFHVURJKSA-N 437.552 1.689 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740990495 BFISMIZDEYPFDV-IBGZPJMESA-N 442.607 1.552 30 10 IDEE CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1741248433 XKXUYAKUKMEGLI-GOSISDBHSA-N 441.492 1.693 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1743197254 HGFLUWNQPYWYHH-INIZCTEOSA-N 435.532 1.790 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1748697776 MYFUIBNFCUIODO-LJQANCHMSA-N 438.532 1.902 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1748765834 VZPGBFZNSLINCR-JLMWRMLUSA-N 428.537 1.901 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1748826691 YRGPTVDXMGLNBH-GOSISDBHSA-N 440.573 1.414 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)CCC)CC1 1748979560 FGPBDWQUALJJOP-QFIPXVFZSA-N 445.589 1.655 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749127483 MMKZHNYAQLSFQB-RBUKOAKNSA-N 444.580 1.700 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1749213326 IXIIVMPKTUFRIX-ZACQAIPSSA-N 428.603 1.400 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCN(CC)CC2)CC1 1749286293 HNBLGYYVRRXKCU-GOSISDBHSA-N 439.630 1.072 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1749727504 WFOJIYSUJGLKSR-OAQYLSRUSA-N 443.529 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(cccc2OC)C1 1749731655 HIRKMGUWPFUUSP-QGZVFWFLSA-N 445.545 1.401 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1749756550 ZHNRIAXNAFSJEZ-GJZGRUSLSA-N 437.595 1.569 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760135193 MDYFJXMLIKWOSA-MSOLQXFVSA-N 425.537 1.906 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1760185524 YSAAINGKDDPDFX-INIZCTEOSA-N 440.529 1.874 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760186673 PYNXPSRJWIRMKB-IRXDYDNUSA-N 432.546 1.943 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1760205637 GMTOYVQPFYPREW-SFTDATJTSA-N 449.559 1.576 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCOCC1 1760206508 BRHTZLRNXMDRRE-GOSISDBHSA-N 440.573 1.311 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1760218918 QCKCNTXAACCNJM-QGZVFWFLSA-N 436.603 1.555 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1760233508 BBMNEPJYOLBXRU-WZONZLPQSA-N 446.596 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)c2ccccc2F)CC1 1760260371 QDFDRPFJCCMPKY-LJQANCHMSA-N 439.539 1.650 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)cc(OC)c2)CC1 1760261033 JETQOOBYWINTOL-UHFFFAOYSA-N 426.496 1.352 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1760527190 OMHBNYQRFYXGPS-WOJBJXKFSA-N 425.533 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccon1 1760548692 NCIBUBUEILGZND-UHFFFAOYSA-N 431.478 1.151 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760558524 RCRRFQJIFFDXDP-UHFFFAOYSA-N 445.549 1.009 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1766584069 HQFAGVUMMBPNLD-UWJYYQICSA-N 439.564 1.888 30 10 IDEE COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767983652 YUPVXFXOZXLQML-UHFFFAOYSA-N 425.493 1.360 30 10 IDEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 1768086561 FINKJPWVWARXCZ-LJQANCHMSA-N 444.561 1.760 30 10 IDEE COc1ccncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1769007678 AGCAMCCHOXWOHI-INIZCTEOSA-N 430.534 1.762 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1769994641 KVYBLMKZRADJDA-KSSFIOAISA-N 429.518 1.269 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1771368501 HWJXELJPFKLFLW-MRXNPFEDSA-N 430.534 1.371 30 10 IDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)C1 1850827582 ORUHVFVKSKIRKS-QGZVFWFLSA-N 445.520 1.612 30 10 IDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861504691 JYJWFBFFADZACU-GHTZIAJQSA-N 447.491 1.403 30 10 IDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1861520965 UWYKPEDBEWOINL-QFBILLFUSA-N 425.485 1.493 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 1870142544 GJDNOBLUCSJORT-GFCCVEGCSA-N 446.423 1.779 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060637448 LEKJLZRRQGPJJF-YJNKXOJESA-N 440.321 1.857 30 10 IDEE C#CCn1ncc(NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106021902 LSVNNHXTLXDULW-KRWDZBQOSA-N 427.299 1.423 30 10 IDEE C#CCOCC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211447627 RXOGUIMNSKLTDO-UHFFFAOYSA-N 425.526 1.953 30 10 IDEE CC(C)(C)OC(=O)Nc1ncc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)o1 2248442282 WDWSBMFRKTXSQQ-UHFFFAOYSA-N 437.287 1.847 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255658101 YRKGTSURMZYWCU-KGLIPLIRSA-N 434.346 1.610 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255828912 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446931645 RLPJQJVSEPRWHD-KRWDZBQOSA-N 425.541 1.143 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)cc1 463861630 RMMAEPUPQMCUSG-UHFFFAOYSA-N 427.482 1.501 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@H]1CCCO1 470448603 SGGIZGCYBUPSCL-CQSZACIVSA-N 447.919 1.663 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C(C)(C)C)cn1 479579868 VENGANQBGUBIMF-NQIIRXRSSA-N 435.532 1.724 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)cc1 490915316 VODBQGFHBKNIJH-UHFFFAOYSA-N 431.518 1.561 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 501114414 WJHBXVDBRWFRHP-LJQANCHMSA-N 433.578 1.121 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCC[C@@H]3CN3CCOCC3)C2=O)cc1 505517078 VOSHNQVKMSMHGC-UXHICEINSA-N 439.516 1.477 30 10 IDEE COc1c(F)cc(CC(=O)N2CCN(c3ccccc3C#N)CC2)cc1S(N)(=O)=O 505620180 GHLARKPCPWCSIU-UHFFFAOYSA-N 432.477 1.245 30 10 IDEE COCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 515439865 GDTKICWHNNRNTK-UHFFFAOYSA-N 429.907 1.937 30 10 IDEE C[C@H]1Cc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc2O1 521582663 QOZMGNJMDQUAOR-HNNXBMFYSA-N 447.538 1.577 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1c[nH]c2ccc(Br)cc2c1=O 543431554 KLVWWLVZKVVRMV-UHFFFAOYSA-N 433.306 1.979 30 10 IDEE COC(=O)c1ccc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)[C@H](C)C2)cc1 586860919 TYPQHRXKQXUDCE-OAHLLOKOSA-N 438.459 1.837 30 10 IDEE C[C@@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)o1 610487924 WRQIFECBBUGAIH-XOKHGSTOSA-N 439.537 1.587 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2Cl)c1=O 623010697 XKVKYLXKRCBLMD-UHFFFAOYSA-N 429.929 1.524 30 10 IDEE C#CCN(C(=O)CSc1nnc(C)n1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 729330769 DNYSKFPWEVUFJY-HNNXBMFYSA-N 434.543 1.325 30 10 IDEE C#CCN(C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)[C@H]1CCS(=O)(=O)C1 729334536 SIZUHOJMOWUTLJ-FPOVZHCZSA-N 438.505 1.891 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2CCC2)C1=O 730145076 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ALTUVSQCHPMPKV-OXQOHEQNSA-N 427.567 1.856 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(C2CCC2)n1C 753970961 HPQFRTKIWYIYRJ-INIZCTEOSA-N 444.561 1.996 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(c3nnc4n3CCC4)CC2)C1 758765988 DDFOOUHHRUWURV-JKSUJKDBSA-N 429.525 1.872 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C[C@@H]3CCCO3)c2=O)c1 763436063 SKULCKHAIXTHMB-SFHVURJKSA-N 437.496 1.952 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1=O 763954717 ICAPBDOKFPFAFX-ZDUSSCGKSA-N 429.212 1.728 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766792485 GYFQGJXSRQXXOF-IEBXDZTQSA-N 435.843 1.410 30 10 IDEE CCN(Cc1ccccc1)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767679927 OQMKJLGYSPUBLH-MRXNPFEDSA-N 429.498 1.817 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CC1 767884664 YZMDHGOOHRKJNZ-UHFFFAOYSA-N 449.599 1.692 30 10 IDEE CC(C)n1ncc2c1C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 772458690 REQCKRXVHWLGDN-INIZCTEOSA-N 429.546 1.956 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C#N)n2)CC1 786774940 FWKPUXXGZYSFHR-UHFFFAOYSA-N 434.543 1.485 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)n1 789245119 MGGVJNRWUQQMMA-UHFFFAOYSA-N 438.937 1.931 30 10 IDEE C[C@H](/N=C1/S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1)c1cccs1 807940132 DNMKBKPOKXUMPT-PDXWTLFMSA-N 449.606 1.506 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 808113846 MGZJYNROLFSTFJ-AWEZNQCLSA-N 431.470 1.667 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1n1cccn1 819390411 CKLQMLYOHRGTMJ-AMVTXUCVSA-N 431.518 1.235 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCN(C(C)C)C[C@H]3c3cnn(C)c3)CC2)c1C#N 849580576 BPADNPHLFJADLK-CTNGQTDRSA-N 438.580 1.496 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c(OC)c1OC 917795813 ZJUJEUSCMKXZCZ-UHFFFAOYSA-N 444.472 1.823 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4ccccc4Cl)n3)n2C)n(C)c1=O 1084017616 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C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1286322958 IGOJYMUHRZNIAY-CVEARBPZSA-N 427.596 1.356 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286338378 CEUXSJCCEOGUMF-UHFFFAOYSA-N 425.493 1.477 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286444959 DDUJSJMNTHXZJV-OTWHNJEPSA-N 435.594 1.836 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCOCC2)C1 1286707369 YPBLEWNUIJZGPC-UHFFFAOYSA-N 442.520 1.904 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286711706 OTQRKFBTQNKLBY-PMACEKPBSA-N 446.596 1.508 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)C1 1286814329 PXWVNTPWDFVDQN-BBWFWOEESA-N 448.568 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1286824350 BKLNSUARJMDLHT-SQGPQFPESA-N 442.582 1.535 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1 1286853597 IGEDWVXUTBYASP-AWEZNQCLSA-N 427.509 1.860 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1288524577 FTILJJFXWYRFQJ-HNNXBMFYSA-N 435.525 1.686 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(C(C)(C)C)no1 1288825712 KCAVBKBKFDATQL-KPZWWZAWSA-N 439.517 1.664 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(CN3CCOCC3)c2)s1 1291678983 RZSZINOLMSVCCZ-UHFFFAOYSA-N 449.598 1.904 30 10 IDEE Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(CCC#N)CCN2CCOCC2)c1 1292292717 NSLDQVLDKRZASY-UHFFFAOYSA-N 426.477 1.836 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300325438 ZSFICSIADDYEGJ-HOTGVXAUSA-N 435.525 1.736 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1300489045 IGXAZFBTFIHUBK-SFHVURJKSA-N 429.546 1.488 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1300710881 ORJNJPROQSVPQL-TUFLPTIASA-N 431.581 1.818 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCc2cnn(C)c2)CC1 1300719725 NTZJANNTXUKQIO-UHFFFAOYSA-N 432.532 1.672 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCc2cnn(C)c2)CC1 1300719812 QUCFUALOQWQULC-UHFFFAOYSA-N 432.532 1.672 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300754148 KFQTUOXTNIAQOE-LJQANCHMSA-N 427.622 1.866 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)COC(=O)N2 1300856303 AKRRWZHCJQBWTF-UHFFFAOYSA-N 439.314 1.388 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301485016 PWJZOQYHHYMMIR-SBUREZEXSA-N 436.516 1.893 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1302510746 JASZKESKOOIZMG-AHLOJKHESA-N 429.546 1.828 30 10 IDEE CN1CCN(C(=O)CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1305896137 PIMIZDXDPHXWEO-FQEVSTJZSA-N 441.532 1.283 30 10 IDEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1308115470 YNBOCPLVUFTCAX-HRAATJIYSA-N 442.541 1.326 30 10 IDEE COC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315135720 GQVDOIUFDOYSHP-UHFFFAOYSA-N 437.552 1.949 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)CC1=O 1316124858 AZOPXZPFXZETRO-UHFFFAOYSA-N 431.500 1.749 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1358922391 CYXWYIBGRRFHTL-UHFFFAOYSA-N 437.504 1.667 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1358949161 UKRQSZORASPDEA-FQEVSTJZSA-N 427.574 1.698 30 10 IDEE C#CCN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1358957118 QAUGHYVCZXFHTB-CVEARBPZSA-N 448.520 1.709 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358961263 VKISUSOCRPSYAB-YRNRMSPPSA-N 432.550 1.159 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 1359023235 DSXOTQCUNJQRBB-WIYYLYMNSA-N 436.560 1.762 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NC(C)C)CC1 1359029979 LTBDUGPWVOFLHX-QGZVFWFLSA-N 428.512 1.837 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359050945 HVPOEMPZNHSYFM-GOSISDBHSA-N 445.545 1.280 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359133819 ZTVRLCGIWFJPCM-RBUKOAKNSA-N 432.569 1.957 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1359188552 PRRIGIGKVMFBIB-QGZVFWFLSA-N 445.593 1.899 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359293825 BATZDYZJDLWHHR-HNNXBMFYSA-N 446.458 1.660 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359300026 RREANPWPYDNCDX-HNNXBMFYSA-N 437.504 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCO[C@H](C)C1 1359333655 FVHAYLIXCKQBRB-CQSZACIVSA-N 425.580 1.850 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC(c2ccccc2)C1 1360713435 HQLLJLOTZXLAOA-NHFHULPWSA-N 444.561 1.811 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1 1445631905 WJMSWYOSHLXQGY-SFHVURJKSA-N 431.558 1.252 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3C(CO)CO)cc1 1449521983 UVDIUUGXWOJQKV-UHFFFAOYSA-N 442.497 1.034 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1452935341 PVWQWGFAMDTJLS-FLIBITNWSA-N 431.489 1.587 30 10 IDEE CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1456479871 ZKJORTGTTFMROL-MJGOQNOKSA-N 441.575 1.626 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)C[C@@H](C)O1 1464126533 SMNVYSNVQVZMOZ-HUUCEWRRSA-N 431.518 1.151 30 10 IDEE Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1469884433 FZHGNWHMCOMBTE-UHFFFAOYSA-N 432.484 1.863 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1473488513 OERCKJXCVSIARQ-YADHBBJMSA-N 443.569 1.996 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501421475 QHHUXRUXBBNFGP-GOSISDBHSA-N 438.536 1.244 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1502969487 FEKCTBGLMVDUTM-XOMICKMZSA-N 437.504 1.872 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1505144110 IWIOZRBGXFFJFB-IBGZPJMESA-N 443.577 1.431 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1507513590 ANWMIZGMBDHOGQ-IRXDYDNUSA-N 445.593 1.780 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC(C)C 1507522642 XHRQCGUHLFHWLR-HNNXBMFYSA-N 432.550 1.178 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507627020 HYPBLFFQFPOMBO-CVEARBPZSA-N 448.545 1.624 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC2)CC1 1507735887 JEUYBOVSONBRHV-WZONZLPQSA-N 445.564 1.321 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1508072909 HXNOHZCOSATFPV-HNNXBMFYSA-N 445.499 1.321 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC1CCOCC1 1513925397 VEYCXOXMSJKICE-KRWDZBQOSA-N 440.552 1.803 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1515497121 YVGRXGSVJWIBIY-UHFFFAOYSA-N 425.537 1.734 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1519205302 CGFXVBMRJTXBRM-VGOFRKELSA-N 426.521 1.125 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCOC[C@@H]1OC 1519321367 TTZLJJXKLDEOOJ-BWPNAZKDSA-N 448.568 1.230 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1539178771 KFXUEHHARMFPDG-PEGYKEAPSA-N 425.555 1.425 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C(C)C 1539178845 KQWYQHBTRGVUPQ-DLBZAZTESA-N 427.571 1.132 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@](C)(O)c2ccccc2)CC1 1539428952 YPVYPHDAWSIGPD-DEOSSOPVSA-N 436.560 1.567 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)OC(C)(C)C)CC1 1539463015 RCOCMXOQJPXLQP-ROUUACIJSA-N 448.568 1.282 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2C[C@H](F)C2)CC1 1539466576 CGLKJVLTKKRIKD-SAABIXHNSA-N 430.528 1.618 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2OCCC2(C)C)CC1 1539477402 LMKOBQXPFTXAKH-DLBZAZTESA-N 428.537 1.010 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539981817 JHJVWEKFEVMULZ-JSGCOSHPSA-N 425.515 1.124 30 10 IDEE CN1C[C@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540470895 IBJPKKVJIBWHAM-RTBURBONSA-N 441.532 1.473 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1540853652 HJLSARWUIVRQSC-STQMWFEESA-N 425.515 1.159 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1540871225 GZWBXCQYKZHUCC-JKSUJKDBSA-N 444.502 1.795 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(CN2CCCC2)cc1 1541678784 IUIRULRLHSBEHB-FQEVSTJZSA-N 437.548 1.789 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1C(F)(F)C12CCC2 1541945425 GUWSNYMXULIYHL-YNEHKIRRSA-N 430.481 1.052 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1545939710 IMUNMQHQHITIGX-VLGSPTGOSA-N 447.565 1.276 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NC3(C#N)CCCCC3)CS(=O)(=O)[C@H]2C1 1546233789 OLPAJDZVDBUNHX-XHSDSOJGSA-N 425.551 1.999 30 10 IDEE CCOC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547816919 DQDWCXLKBOCCLJ-UHFFFAOYSA-N 427.509 1.766 30 10 IDEE CN(C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1554124603 BQNIAIQTUXIBEP-GOSISDBHSA-N 448.549 1.893 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccco2)C[C@H]1O 1554548985 CAWAXWRZKSCKIU-VQIMIIECSA-N 437.456 1.730 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cc1cccc(Cl)c1 1558203089 GIGCZQLWCXGMFV-MRXNPFEDSA-N 435.933 1.879 30 10 IDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1558866255 JDCWQRIVIUYYJK-UHFFFAOYSA-N 427.954 1.388 30 10 IDEE C#CC[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1570662406 YNAOPHKXXYCIJN-WMZOPIPTSA-N 426.560 1.030 30 10 IDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(CCC#N)c1C 1586525616 XOPZVWOLGPNRPS-UHFFFAOYSA-N 431.518 1.941 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1587862343 VGYPZKQOIBSBNH-MRXNPFEDSA-N 437.566 1.569 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1587879083 OCWBIGZRTWWVMV-FQEVSTJZSA-N 438.580 1.296 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1589484723 VVYDTGFKNUIZPJ-UFYCRDLUSA-N 446.596 1.556 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)[C@H](C)C1 1595516560 HADJKMLHKCGICH-GOSISDBHSA-N 449.559 1.952 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595555877 KCNBCDXULWOMSN-IBGZPJMESA-N 436.560 1.975 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)C1 1595739338 ZQWMDXFDXWTPMU-KRWDZBQOSA-N 437.591 1.747 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595805380 OGWNPLYOIVKQII-FQEVSTJZSA-N 436.582 1.563 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](N4CCCC4=O)CC3)C2=O)cc1 1597352756 CGFGTACSTWFVME-MJGOQNOKSA-N 437.500 1.767 30 10 IDEE C#CCn1/c(=N\C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OCC)ccc21 1614154428 WVXKGXLBIKMBNG-IWKHNONTSA-N 449.554 1.612 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCOC)CCOC1 1616213232 HRZQZXIEMMIEBT-OAQYLSRUSA-N 428.493 1.502 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)N(C)C 1620097382 AFAHHVUWEMXNTN-IRXDYDNUSA-N 440.570 1.024 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOCC)C(=O)OC 1622226502 ULEQLZURWNXEAJ-CYBMUJFWSA-N 434.308 1.708 30 10 IDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)cc1 1625082767 SFDRAVWQONKETH-SFHVURJKSA-N 437.562 1.881 30 10 IDEE C=CCOC[C@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)C(=O)OC 1626208862 YGFXROUSNLBFCZ-KRWDZBQOSA-N 426.425 1.858 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1626424346 IGSQRYMINZOVCG-FZKQIMNGSA-N 432.443 1.983 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cc(F)ncn4)CC3)CC2=O)cc1Cl 1628114147 COJBPMYRSGIIKR-AWEZNQCLSA-N 428.855 1.842 30 10 IDEE CNc1ncnc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc12 1629484569 BELYGIPYLSMHOQ-UHFFFAOYSA-N 436.497 1.690 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1629869702 CLLTZIHBXKPRNO-QZTJIDSGSA-N 435.546 1.904 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@H]3C)CC1 1634876691 ZOKVMHUUBRAVQW-KRWDZBQOSA-N 443.548 1.307 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)c1cc[nH]n1 1637012462 GBHVPFHWHGWHQM-QGZVFWFLSA-N 446.414 1.611 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1637828129 KJNGDZKGJIDBJG-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc2S1(=O)=O 1639961306 BWCKKBSGNDPPAW-SFHVURJKSA-N 443.481 1.155 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1644291213 AHOWHORZJZXCJB-HSZRJFAPSA-N 439.537 1.835 30 10 IDEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1648217319 PNNUXGLDWXJCTE-KUHUBIRLSA-N 443.481 1.360 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1653901125 BMECAIZHQYUQMG-QGZVFWFLSA-N 442.520 1.591 30 10 IDEE Cc1ccc(NC(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 1654885828 SPZIRBSGEHTQAX-IGCXYCKISA-N 426.336 1.955 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1689915073 OXLNNLJPHHVPQU-UHFFFAOYSA-N 435.326 1.920 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1689990909 TVVOPUJVQJVULK-MSOLQXFVSA-N 438.594 1.862 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689994122 RKTQVGPNCMLARG-UXHICEINSA-N 449.621 1.214 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CCC)C1 1690008543 IYZLJLUUEWPNEO-LJQANCHMSA-N 429.532 1.726 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCN(C(=O)OC)CC2)CC1 1690122320 NMWWTCJGUDFZQO-UHFFFAOYSA-N 437.548 1.882 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(N(C)C)CCC2)CC1 1690148715 RBCZYFGWCRNGPY-UHFFFAOYSA-N 435.576 1.714 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1690189845 DMFVKNARCBJSRZ-CRAIPNDOSA-N 441.623 1.793 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1690235831 FFWVCKBZVPGAQP-QUCCMNQESA-N 444.580 1.944 30 10 IDEE Cc1c(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1692930118 XJNGGAJGDLGSMJ-CZIZESTLSA-N 435.492 1.478 30 10 IDEE Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1693386685 CFDKZODFKORKFE-OAHLLOKOSA-N 442.549 1.602 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CN1CCN(CC)CC1 1694697491 CHUAMIGMOLCLBU-KRWDZBQOSA-N 438.580 1.649 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCOCC1 1694778037 BUDOWSOVUWLTLL-PXNSSMCTSA-N 437.548 1.500 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1696526426 GYNXXBRHHROBOU-CKVARHJQSA-N 444.565 1.275 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)CC1 1697707524 BLEFMGUGXARODB-UHFFFAOYSA-N 435.463 1.694 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1705529025 ARLKCCRXKWYQAX-UHFFFAOYSA-N 447.561 1.894 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705566191 LYAGFXPEYOZBFA-IAGOWNOFSA-N 433.534 1.096 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1705581589 GEYYKQVMADFHDX-MBSDFSHPSA-N 443.548 1.617 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[C@@H](O)C2)n1 1705631556 IRDVSBZMSXXHCF-QKNQBKEWSA-N 442.564 1.816 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2snnc2C)CC1 1705643280 ZEFSFMLYCGZHBN-UHFFFAOYSA-N 439.545 1.829 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705699196 DIUUBGATCQJRDW-WTGUMLROSA-N 433.553 1.842 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705756454 BYMZESKIQRRGIH-UHFFFAOYSA-N 431.928 1.190 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705791227 QMPSCZNRMIKDBX-NVXWUHKLSA-N 443.552 1.598 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1)C1CC1 1705855094 VQRCFPYUCTUQOX-GOSISDBHSA-N 449.581 1.132 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705879908 OYPXZUGBFKMNJQ-GCJKJVERSA-N 433.553 1.881 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1705884441 OWGDWPOWOHQNOR-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2C[C@@]2(N3CCOCC3)CCSC2)C1 1705929622 UJRFCEVKLAOLRO-NQIIRXRSSA-N 437.610 1.804 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705940250 YYEBWQUOYPBZDD-MRXNPFEDSA-N 432.594 1.928 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C3CC3)C2=O)CCOC1 1706068642 NUQPATIVMGLISF-XGRCMKMKSA-N 430.553 1.925 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1722380094 CQVKPZURKGOUMI-LJQANCHMSA-N 443.555 1.997 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cnnn1 1722387299 DDLSRSGUOJQNNB-KRWDZBQOSA-N 439.524 1.500 30 10 IDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1722461133 DAZMADQIJGTWCY-UHFFFAOYSA-N 442.589 1.900 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722527666 QNPJTWLRSKWTFW-SFHVURJKSA-N 430.553 1.698 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1722693546 RYMOSEKUNUSPSQ-NRFANRHFSA-N 444.467 1.715 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1722694620 BTHSHFQKNRXKQE-UHFFFAOYSA-N 449.559 1.668 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1722694820 JRNCHJNRUMZTOD-UHFFFAOYSA-N 426.521 1.703 30 10 IDEE COCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1730783229 LORUILSAARJHKG-RJCBAWPRSA-N 431.541 1.085 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1740616123 SVWTZGKZPNWNLE-INIZCTEOSA-N 439.607 1.282 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(N(C)C)c2)CC1 1740706603 XUGWKJJDLKHUCU-HXUWFJFHSA-N 449.559 1.309 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(C)CCCS2)CC1 1740708468 QPOOFIUGRBCACA-JOCHJYFZSA-N 444.605 1.652 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1740959731 DEYAAWSMWRNFBB-ZWKOTPCHSA-N 432.569 1.607 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1740964211 LATAJJNLINFTDQ-KRWDZBQOSA-N 446.939 1.918 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744066399 WFHANLUQEUDMMF-MEUCICPISA-N 443.552 1.959 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746459518 CYPVCDQDAWWOME-ICSRJNTNSA-N 438.580 1.651 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1748697884 ALAJTFSIIUQGFR-AEFFLSMTSA-N 449.581 1.486 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1748719466 YXTKXVWVTOECMW-MRXNPFEDSA-N 442.607 1.387 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@]2(C)CCCO2)n1 1748971424 OUTWHVZCBITXGW-PGRDOPGGSA-N 428.537 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOC(C)C)CC1 1749003660 RFOXITNHDHUZRD-QHCPKHFHSA-N 447.580 1.710 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749039527 WEIBIELFGKWKPG-GOSISDBHSA-N 433.578 1.224 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCNS(C)(=O)=O 1749064250 QTONAAWEZULBQE-OAQYLSRUSA-N 426.546 1.978 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749229636 NEMMORSKZQSLIU-IBGZPJMESA-N 448.568 1.687 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(N)=O)CCCC2)C1 1749692923 DBBAUHAZDXGFDC-MRXNPFEDSA-N 439.520 1.752 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749729422 JBHNFSGCQXPWST-OAHLLOKOSA-N 433.509 1.496 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C)COC1 1750030002 RKJKWGIZCVHSRG-KRWDZBQOSA-N 441.536 1.632 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1750068363 BEUGDLLUCCSAEG-YJBOKZPZSA-N 439.520 1.340 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1750075037 AMKWCZWHJICKRM-HZPDHXFCSA-N 449.556 1.661 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1750077558 HWWJMPGEAMXJBS-KRWDZBQOSA-N 439.545 1.838 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2[C@@H]2C[C@H]2CF)C1 1750209732 JUIXHJNBLOXALP-ARFHVFGLSA-N 426.518 1.272 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1751090251 ZOUDJXBVOMLWOK-IAGOWNOFSA-N 425.541 1.655 30 10 IDEE Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1751863964 JRKNSBHWYHCOCN-BZNIZROVSA-N 442.546 1.123 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1760116592 INXYGSFSVWBAQP-CVEARBPZSA-N 444.540 1.704 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760185179 RFQQZWBUOSURGA-MRXNPFEDSA-N 428.493 1.493 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760187068 TWRYVEDWYPWRCA-CVEARBPZSA-N 439.582 1.723 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760188890 DMPANUWPDQTIRX-RXVVDRJESA-N 431.562 1.298 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760190226 URRZRMXQSOWFLV-QGZVFWFLSA-N 432.550 1.425 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@@H](C)CC 1760215423 ZRSKASYWHBKEDX-SFHVURJKSA-N 445.531 1.689 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1760234241 UNTXFMOAXHUJCU-MRXNPFEDSA-N 431.518 1.866 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1760349596 RBOUANUNYYPXHP-GCJKJVERSA-N 432.569 1.249 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760560253 ZPQWKKVGMWIFID-KRWDZBQOSA-N 431.566 1.535 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760562510 MBGDKQABKORFJH-UHFFFAOYSA-N 445.593 1.673 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1Cc1ccc(C#N)o1 1763065472 UKGAEPDNHHUCNN-IGCXYCKISA-N 434.522 1.405 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1766813670 AJWLWKNFNKHVRZ-IBGZPJMESA-N 444.561 1.858 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCC[C@@H]1NC(=O)NC1=O 1767062632 XFHBWOPDEWKQGZ-KRWDZBQOSA-N 432.488 1.780 30 10 IDEE CO[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769059332 DFCYDVWGJBOCKN-YUMLTWSLSA-N 430.509 1.314 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1769409665 BVEHBDIMEBAEQD-QVKFZJNVSA-N 429.477 1.831 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1771534165 PJNIDVJPYRSLEE-VQTJNVASSA-N 438.488 1.653 30 10 IDEE CN1C(=O)N(C)[C@@]2(CCN(C(=O)C3CCN(c4c(C#N)cnc5ccccc45)CC3)C2)C1=O 1850489425 LZPHRTOTTGQGFL-XMMPIXPASA-N 446.511 1.818 30 10 IDEE C[C@H]1CN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCN1S(C)(=O)=O 1856940812 GRTSITJOBGGBIY-SUMWQHHRSA-N 438.937 1.113 30 10 IDEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110842 KWASPAOKPDUFJK-UHFFFAOYSA-N 449.358 1.480 30 10 IDEE C=CCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564164 YEDAFUXAPAFNNT-UHFFFAOYSA-N 432.525 1.682 30 10 IDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(N(CCOC)CCOC)ncnc21 1873562501 GPUYHGLEFSIYIF-UHFFFAOYSA-N 431.537 1.561 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874274557 SKOYNNWEVJHULT-DKNGMTOASA-N 444.517 1.550 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3cccc(OC)c3)CC2)CC1 1890276253 VJNPFQJMXMYJLR-UHFFFAOYSA-N 429.561 1.723 30 10 IDEE CN(C(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)C1CN(c2nccnc2C#N)C1 1891241586 XICNFSQITKAVET-CYBMUJFWSA-N 437.529 1.168 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2010132171 NOZFFOJMPDNHSQ-UHFFFAOYSA-N 437.537 1.735 30 10 IDEE COC(=O)[C@@H](CC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)NC(=O)OC(C)(C)C 2060637031 FYOYKCBYNIVHCI-MGPQQGTHSA-N 438.330 1.993 30 10 IDEE CN(C)C[C@@H]1COCCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172773405 ARGSBCHINPXRRW-CQSZACIVSA-N 426.164 1.910 30 10 IDEE COC(=O)C1(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2224138096 WYHKYCRKYFVFRU-UHFFFAOYSA-N 434.298 1.922 30 10 IDEE Cn1nc(C(=O)N(OCc2ccccc2)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255666669 XGFBSPIDFWWSSW-UHFFFAOYSA-N 446.744 1.919 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC(OCc2ccccc2)C1 2255754156 ZWUVTJDQMPWUGE-UHFFFAOYSA-N 447.366 1.745 30 10 IDEE C[C@@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255811204 ALQFKTIQTOGUNM-CYBMUJFWSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825850 GQHKXRIGLFVMKA-ZSEKCTLFSA-N 432.330 1.696 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2255826694 CJYOPWFRFIOQSJ-VHDGCEQUSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255848198 XUZPSUMPFRWUGI-CABCVRRESA-N 436.314 1.991 30 10 IDEE C[C@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2255932737 FKHFCRHQEHGYCS-MRXNPFEDSA-N 449.382 1.851 30 10 IDEE CC(C)(C)OC(=O)NOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2255975307 AJMKKGJVOKXGSH-UHFFFAOYSA-N 438.286 1.583 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2259345790 LNLMEYCEGADACJ-ZFWWWQNUSA-N 432.330 1.809 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267098771 CXEQAGJPIPWIMF-GOSISDBHSA-N 440.353 1.730 30 10 IDEE CN(Cc1ccccc1)C1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2267118322 JNMBRHMMDSTMJK-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502213 KLGCQQWUKLLDJA-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE CC1(C)OB(c2ccc(O)c(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c2)OC1(C)C 2267801428 DZPAXFVYVINVPF-QWHCGFSZSA-N 440.227 1.679 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269081739 FGJORRUIRLVCLA-WMLDXEAASA-N 441.293 1.564 30 10 IDEE CCn1cc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)nc1B1OC(C)(C)C(C)(C)O1 2270599907 PXDDYRGKVMDFGR-UHFFFAOYSA-N 444.263 1.485 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2327842637 SKOYNNWEVJHULT-AWEZNQCLSA-N 444.517 1.550 30 10 IDEE CC1(C)Cc2cccc(OCC#CCNS(=O)(=O)CCN3C(=O)CCCC3=O)c2O1 90733761 ZMEJKAFZFLHAAI-UHFFFAOYSA-N 434.514 1.241 30 10 IDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(C(=O)O)CC3)C2=O)cc1 96573414 BUPPVRGQVOEOMO-JOCHJYFZSA-N 429.473 1.732 30 10 IDEE CC1=NN(C(N)=S)C(=O)/C1=N\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 100150445 GUECLQGHKOGNJE-HMAPJEAMSA-N 446.518 1.124 30 10 IDEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)s1 431232234 OXFKMFLBEAMHJF-UHFFFAOYSA-N 443.594 1.966 30 10 IDEE COC(=O)CC1(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CCS(=O)(=O)CC1 439368740 DQIYJTNHYTVOPF-UHFFFAOYSA-N 430.486 1.293 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CC1 447281396 QVCKKOLXHPZPMH-SNVBAGLBSA-N 435.347 1.859 30 10 IDEE Cc1nsc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)c1C#N 461188013 CSEYRURVUKCANY-YQQAZPJKSA-N 434.591 1.698 30 10 IDEE Cc1cccc2c1OC[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2 462633607 UVZWOJCFZIEWJG-LJQANCHMSA-N 440.525 1.886 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 482839876 VDFIUOSHILQXAR-HIFRSBDPSA-N 434.468 1.898 30 10 IDEE Cn1ccnc1-c1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C)n1 484945884 LFFMGTIXHCPBCZ-OAHLLOKOSA-N 432.444 1.536 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)C2=O)cc1 486924317 JKQFXMGBTCJWBC-HXUWFJFHSA-N 449.515 1.736 30 10 IDEE Cn1nc(O)c2c(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc(C3CC3)nc21 490253171 QXJHKFQFSFBBLZ-QGZVFWFLSA-N 430.468 1.954 30 10 IDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC(C)(C#N)CC3)c(Br)cc21 503847436 RIMQFUVKKCSATM-UHFFFAOYSA-N 427.324 1.954 30 10 IDEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(c2nccn(C)c2=O)CC1 508872233 IPZJMIMTAHVHQV-UHFFFAOYSA-N 425.468 1.603 30 10 IDEE N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 509635681 FUQDVQKIDRPJIO-GFCCVEGCSA-N 429.520 1.748 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@H]1CCCO1 514522474 AAWVXLIHRWDEAU-LSDHHAIUSA-N 447.582 1.113 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543929993 CTYIKQJEVLMVPH-AWEZNQCLSA-N 429.868 1.256 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)n1 544831662 JRPNCQAOHPACQD-INIZCTEOSA-N 433.468 1.426 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCCCN3C(=O)c4ccccc4C3=O)CC2)n1 546926621 GXWKTCZFFAQJJF-UHFFFAOYSA-N 432.484 1.861 30 10 IDEE CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 555325107 HMELLJJFMBDYSR-QGZVFWFLSA-N 440.570 1.168 30 10 IDEE N#Cc1cccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc4nc(O)oc4c3)C2)c1 586071699 CPNIOCYLNADABQ-OAHLLOKOSA-N 426.454 1.988 30 10 IDEE CCOc1ccnc(N2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586862319 SARUSCMRUJWJPM-UHFFFAOYSA-N 426.452 1.241 30 10 IDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(OC)c(OC)c3OC)N2N1 588226994 CZPCYFWTZPUOPJ-HXUWFJFHSA-N 438.509 1.775 30 10 IDEE CC(C)CN(C(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 591415427 GKDPSAIPJPOFGQ-JOCHJYFZSA-N 446.617 1.738 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(=O)N(C)C 618433472 BUXWATVORAUGPA-UHFFFAOYSA-N 447.516 1.393 30 10 IDEE CSc1ccccc1NC(=O)CN(C)C(=O)CN1CCN(c2ncccc2C#N)CC1 619510148 VDZZLICUFAUROQ-UHFFFAOYSA-N 438.557 1.894 30 10 IDEE C#CCN(C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)[C@H]1CCS(=O)(=O)C1 729335038 YMEZGXOHWNNIIA-SFHVURJKSA-N 448.541 1.205 30 10 IDEE CCN(C(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@H]1CCS(=O)(=O)C1 729831822 BDNXYQBTWHONRH-GJZGRUSLSA-N 433.486 1.831 30 10 IDEE CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C#N)nc2)sc(C(=O)N(C)C)c1C 734601589 WPVRKUQFLKZYLI-UHFFFAOYSA-N 444.469 1.997 30 10 IDEE C[C@@H](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742503413 YEJCFLINPJNAMW-HNNXBMFYSA-N 432.546 1.365 30 10 IDEE CC(C)c1c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnn1-c1ccccc1 753836678 DNNYERULVXKALO-CZIZESTLSA-N 436.472 1.577 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 756648701 YNTXMCFFZGIAIH-QWHCGFSZSA-N 447.351 1.573 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)[C@H](C#N)C1 758639804 GWWOTOBPNCMBSQ-NVXWUHKLSA-N 434.518 1.189 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@H]2CCCO2)cc1 764978423 ZEURJDBVRCDXHD-GOSISDBHSA-N 434.521 1.517 30 10 IDEE C#CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 765664908 KCPINCJPWSOSSO-GFCCVEGCSA-N 448.238 1.462 30 10 IDEE N#C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)CCN1C1CC1 772449316 WKAVIMSAEPQBPN-QGZVFWFLSA-N 429.502 1.962 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C)[C@H]1CCS(=O)(=O)C1 774043350 MGUWTNDEZIQCBU-HNNXBMFYSA-N 425.532 1.090 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 775973307 GCBMESIJUGKWQY-GJZGRUSLSA-N 437.518 1.074 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)ccc2c1=O 782053984 VCLVHCSFCWHCRU-UHFFFAOYSA-N 448.570 1.558 30 10 IDEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1-c1ccc(C(N)=O)cc1 782711807 NBTPVRHTCKTOCI-UHFFFAOYSA-N 433.399 1.174 30 10 IDEE CC(C)c1nnc2n1CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)[C@@H]2C 784695494 GYVMNFZCZSYTQH-CQSZACIVSA-N 430.534 1.824 30 10 IDEE C[C@@H](CC(=O)N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)/N=C1/NS(=O)(=O)c2ccccc21 787748163 XYYGCUHSGWCMOC-QAJFTPDKSA-N 445.497 1.471 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 789242768 UEXJSRLWRPEMLQ-FQEVSTJZSA-N 427.480 1.615 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)c2cccc(F)c2C#N)[C@@H]1c1cncn1C 796864576 VTXRBFRVUYALDX-BFUOFWGJSA-N 447.492 1.626 30 10 IDEE CCn1c(COC(=O)[C@@H](C)n2cnc(C#N)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 798742177 IGOOBIQJBKQSBX-GFCCVEGCSA-N 431.478 1.074 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 803700914 FAHKTHHIABQNLW-UHFFFAOYSA-N 436.917 1.379 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C)CC2)o1 805802171 QHXWJJFRJKXIKG-HOCLYGCPSA-N 432.525 1.491 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 806467933 OWZPJYBZUUEVQS-SFHVURJKSA-N 426.498 1.369 30 10 IDEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)cc1 813563665 YKAUPSVOGVGQOW-WMLDXEAASA-N 433.578 1.383 30 10 IDEE CC(C)(C)OC(=O)NCC1(C=NNC(=S)NCCCN2CCOCC2)CCOCC1 814213249 DQBOWBBODMKBIT-UHFFFAOYSA-N 443.614 1.480 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 918818319 PDHXGLORQGJGDL-GFCCVEGCSA-N 447.435 1.459 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 921172204 FRTALGNQLMZYOC-UHFFFAOYSA-N 440.481 1.672 30 10 IDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)nn1 1124137437 IZMVEJVXAWSTHB-UHFFFAOYSA-N 448.549 1.805 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 1136206204 BDUYNTSBBSBXQQ-XDIYQJDNSA-N 435.546 1.232 30 10 IDEE Cn1nc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Br)c1C(F)(F)F 1136672498 PBQPPALWYFUWRZ-XFXZXTDPSA-N 436.188 1.458 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1138972177 IYCHDYTVDXAHIC-QFIPXVFZSA-N 432.521 1.520 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)s1 1141325898 XYCJQBHPWDEPGJ-KRWDZBQOSA-N 425.576 1.518 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1153313574 ORYPSLBQJMXBHZ-INIZCTEOSA-N 425.507 1.747 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)CC1 1194906248 OLUFAOUZTVQPDF-UHFFFAOYSA-N 444.023 1.704 30 10 IDEE C#CC1(O)CN(C(=O)NC[C@@H]2CCCN2Cc2ccc(I)cc2)C1 1227187556 LXNNNSXVDJEOBX-INIZCTEOSA-N 439.297 1.645 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 1248407756 XSHIFWVBCHNOCG-WKILWMFISA-N 446.529 1.225 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1286466894 KZTZQRYZBXNNKK-SJORKVTESA-N 435.550 1.162 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[S@](=O)CC)CC1 1286485140 WBNUTNGKGWAEPB-SSEXGKCCSA-N 429.590 1.998 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)CC1 1286561222 ANAKSMRMMBASPO-CTNGQTDRSA-N 427.553 1.789 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1286776138 FRVMPEYSUUAAOV-QAPCUYQASA-N 433.534 1.585 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(c2nc(C)no2)CC1 1286824747 HVDAJQNPZDVBCQ-MRXNPFEDSA-N 436.538 1.806 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1286964898 FPYVLGIGJICXSG-HNNXBMFYSA-N 441.561 1.903 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1287070049 PHGUNNKKVJJNFB-KRWDZBQOSA-N 427.509 1.907 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3cnn(CCOC)c3)C2)cc1 1290545916 KDMSUCDZGRZKCZ-HNNXBMFYSA-N 426.477 1.829 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)n(C)n1 1290571288 HXIBGHFOABLTKA-IBGZPJMESA-N 439.545 1.920 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O 1293227809 IRYHJPSMDFXRNT-SFHVURJKSA-N 444.561 1.746 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1293540477 DVTCSBMLOSCPPR-FPDPHYFHSA-N 445.545 1.370 30 10 IDEE COC(=O)CC1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCOCC1 1294122911 AVFAASJDGQYJJK-UHFFFAOYSA-N 436.306 1.985 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1300307526 GBZRARBSGFPVCB-RHSMWYFYSA-N 425.518 1.472 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300479741 RRMWKNDRVGQKRL-KURKYZTESA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1300493155 RNGWIFCVFLGBBY-OAHLLOKOSA-N 431.518 1.599 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1300651040 ZQXNDGRLCZNFQC-JPYJTQIMSA-N 441.532 1.773 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1300680722 CYMRGXYJXRSFDH-UHFFFAOYSA-N 442.593 1.467 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2CCOCC2)CC1 1300707834 LFPIEHGZXNPDNL-UHFFFAOYSA-N 442.589 1.842 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1301047660 MNCSRUPZDWDODD-AWEZNQCLSA-N 430.987 1.904 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1301120302 NAEGWBJNBVJYIF-IRXDYDNUSA-N 438.523 1.988 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1301613325 WAKUFRIQTOPRCA-CABCVRRESA-N 428.584 1.269 30 10 IDEE CC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1306327002 YZWPHHWZLBVDCE-MXLIYFDZSA-N 441.536 1.667 30 10 IDEE CCOC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1314025379 QLUZNKGLSWJJNO-VHEBQXMUSA-N 445.524 1.282 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC#N 1314557448 FYCGSSQPFUJPCS-CQSZACIVSA-N 434.522 1.394 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1315067534 BQILUMRMTPCXPL-MSOLQXFVSA-N 437.529 1.633 30 10 IDEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCC(=O)N1CCOCC1 1315615758 IDLKDFVJIUJQGC-QGZVFWFLSA-N 426.521 1.865 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCN(c4cnccc4C#N)CC3)c2)NC(=O)NC1=O 1326083490 GKIWSJKRJBIIJG-JOCHJYFZSA-N 433.472 1.040 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1358934429 BCOWHTXZHJYELA-UHFFFAOYSA-N 449.515 1.866 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1358949719 KWAHSORFVNAUFC-YCRPNKLZSA-N 432.525 1.134 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OC 1358974235 WFTXLGYRFZPFMD-UHFFFAOYSA-N 425.456 1.446 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](COC)OC)CC1 1359028486 UKJONDLAXXNOHP-HXUWFJFHSA-N 440.548 1.564 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOCC(F)F)CC1 1359037626 QILHLMFPFRLAMU-UHFFFAOYSA-N 443.502 1.944 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)OC)C1 1359135495 FQLGPWXBFRMJTM-HNNXBMFYSA-N 433.534 1.862 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1359298271 TXEJZGQOSGUESC-HXUWFJFHSA-N 435.532 1.819 30 10 IDEE CC(C)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359725034 YUSMJEJKWPMOCI-QEGOHHEBSA-N 430.509 1.312 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 1438352551 YSDDAVDOROIXAG-XMMPIXPASA-N 447.495 1.683 30 10 IDEE O=C(CCN1C(=O)NC2(CCCC2)C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1457998326 CICAKXFVARKBOD-UHFFFAOYSA-N 428.445 1.145 30 10 IDEE CON(C)C(=O)[C@H](CCSC)NC(=O)COc1cccc(Br)c1C#N 1458190463 ZRLNVPOWYLACFZ-ZDUSSCGKSA-N 430.324 1.957 30 10 IDEE Cc1cc(C)n(-c2ccc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)c(C(F)(F)F)c2)n1 1464500330 AKXRONLOVLQFKK-UHFFFAOYSA-N 446.389 1.958 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1467813930 GSVXHVQLSQDGDB-UFYCRDLUSA-N 446.592 1.838 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)s1 1469476406 DCJRGOODRBUIPM-QGZVFWFLSA-N 434.543 1.990 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)n[nH]2)c1C 1471537659 KMFNJYPWNRNYSV-IBGZPJMESA-N 441.580 1.602 30 10 IDEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1493852656 ANCBWEHNZGTKNK-QGZVFWFLSA-N 446.577 1.694 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCSC2)C1 1503829380 BNZPBHIHDIELMY-LJQANCHMSA-N 432.575 1.699 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504819313 HWKJTARHGDVXOG-INIZCTEOSA-N 441.536 1.285 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1507617600 WQPSJZKKXDQHEE-VQIMIIECSA-N 445.545 1.247 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1507709824 BLCHYROWSRQTMZ-INIZCTEOSA-N 429.525 1.982 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507843919 YIWHQPAXUKAPHQ-QGZVFWFLSA-N 434.541 1.879 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507942295 CGHMWULFHLSQQA-MRXNPFEDSA-N 447.565 1.212 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508118452 RFRGCKUPFYPARY-DLBZAZTESA-N 427.509 1.011 30 10 IDEE CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508254054 UQHJNVBSOWUKJG-QZQOTICOSA-N 441.536 1.206 30 10 IDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1(C)C 1512564911 FWDASKJUUCICLH-VFNWGFHPSA-N 445.545 1.370 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H]1C 1515812335 FJFHVNKYLLPHFV-CVEARBPZSA-N 431.566 1.285 30 10 IDEE COC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1518724510 ZCDSWEWCFHVBRT-OALUTQOASA-N 441.492 1.691 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1519243222 UXRRPBNUUUMCKA-LJQANCHMSA-N 444.511 1.780 30 10 IDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1519467689 RJTLSIQMBXAKHE-IBGZPJMESA-N 441.536 1.669 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1519533886 OQPPDIOIQZPYPS-UHFFFAOYSA-N 441.517 1.249 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CC1 1521115447 VXVVOAMAOCUMBN-KRWDZBQOSA-N 437.566 1.506 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CCO1 1521128323 BCIBJLLUBIWXTD-AEFFLSMTSA-N 431.518 1.378 30 10 IDEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538539919 OSOLCABSIQPPBE-BTYIYWSLSA-N 430.482 1.439 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1539126626 ZBEDIGMFDFFVSO-SFHVURJKSA-N 446.552 1.668 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539467512 SMXLWIASLGYSDP-HXUWFJFHSA-N 444.624 1.898 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2([S@@](C)=O)CC2)CC1 1539484578 VHQVJWNBUQHECB-SSEXGKCCSA-N 445.614 1.807 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540013005 HFSBQCJAXRKWMO-AWEZNQCLSA-N 428.459 1.872 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1540522559 BIXCZXIFBWUESO-UHFFFAOYSA-N 439.541 1.775 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2F)C1 1540882798 OMYBBKJKMVCMLV-BBRMVZONSA-N 441.504 1.996 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N3CCOCC3)CC2)CCOC1 1541105703 LYUFAMGUZCUESH-PGRDOPGGSA-N 432.569 1.779 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)N2CCOCC2)CCOC1 1541724507 SRNGBKWKSAGSAH-GCJKJVERSA-N 432.569 1.779 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCSCC(F)(F)F 1541908473 OERIGTVTPMARRB-QWRGUYRKSA-N 428.506 1.922 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCCn1nc2n(c1=O)CCCC2 1543123684 CRBRNWFGECWXAZ-MRXNPFEDSA-N 434.541 1.865 30 10 IDEE COCCC(=O)N1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1545688598 FBLTZXYZJQFDRZ-WCCYLALTSA-N 448.564 1.917 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1547321762 XLUZEXKKNDUQFM-MJGOQNOKSA-N 437.548 1.880 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1555262535 OXEDDQCIAUJASN-NHCUHLMSSA-N 440.548 1.985 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1555699745 HFVMGBHPHSASDF-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1557382694 FBOZBGVXVRRWCC-UHFFFAOYSA-N 442.541 1.894 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1588050867 WLZLFOVVVRQUNZ-ZWKOTPCHSA-N 444.561 1.158 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1588138753 IQBROFCGXRHNCD-SFHVURJKSA-N 449.483 1.010 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1588309927 IQIHEMYKMYHMNY-UHFFFAOYSA-N 434.591 1.487 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1589069597 MGMLKSNDKHUSFL-UHFFFAOYSA-N 440.577 1.145 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1589559473 RTFIVAQJUBCKCN-XMSQKQJNSA-N 440.548 1.716 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1593736057 WAXGWENLLJPCCG-LJQANCHMSA-N 426.525 1.682 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1593747406 VSHSBRAXYWTNHK-ULQDDVLXSA-N 425.555 1.192 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1595212980 WITBVUQDZAWULW-QGZVFWFLSA-N 430.534 1.364 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1595290766 KLWDFNQCWVLFPI-MRXNPFEDSA-N 443.474 1.581 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)OC)CC1 1595497213 UBKAYJGAHMEMCF-UHFFFAOYSA-N 443.504 1.654 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1595545325 VOXXWUINFYMOFH-AWEZNQCLSA-N 448.474 1.827 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1595545591 YZEAZPOSRVQHCN-HNNXBMFYSA-N 444.561 1.545 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1 1595760754 RVYHPKFULAGZFV-CABCVRRESA-N 433.600 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595824064 WFNXLQXSNXGAHO-ROUUACIJSA-N 446.529 1.778 30 10 IDEE Cc1nc(=NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)n(-c2ccc(C#N)cc2)[nH]1 1610924894 HOVFZRZCNYLWCN-BQFCYCMXSA-N 425.518 1.534 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1618536256 PTJBFBQIPPWRMK-VQIMIIECSA-N 426.521 1.831 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1618857029 DYLSTBKAMHVLLP-IJYGLTAASA-N 430.509 1.392 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1620066253 LYXJBAUNNNHVDG-SFHVURJKSA-N 436.520 1.975 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1620154513 DQZHHSVDHWHHSX-QGZVFWFLSA-N 444.517 1.282 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1 1620175603 UFGBMVGWNRPNPZ-UHFFFAOYSA-N 444.561 1.905 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCOCCCO)cc1 1620350059 ANUMAJWASSLJIY-UHFFFAOYSA-N 438.454 1.900 30 10 IDEE C#CCC1(O)CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)CC1 1620532947 ZGRUQDKIINFRJY-UHFFFAOYSA-N 446.573 1.427 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)CC1 1626966610 JBAYSMJYVXAAOM-ZVDOUQERSA-N 446.592 1.696 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)CC1 1628146397 HZTARCRDGCHNDP-UHFFFAOYSA-N 440.544 1.882 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1 1630386455 UYKDSDAQCSOJGO-HKOYGPOVSA-N 444.517 1.378 30 10 IDEE COc1ccc(N2C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1 1632493015 HOMXIKWUROBBAY-HOCLYGCPSA-N 442.497 1.155 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 1636479437 APRRYGCEAOSDKU-UHFFFAOYSA-N 438.706 1.467 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1641400502 LXXKUYKCPXJTIT-IRXDYDNUSA-N 442.472 1.332 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2Cc3ccccc3OCC2=O)cc1 1644505685 IHGDFUSPESIKMB-UHFFFAOYSA-N 429.498 1.302 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@H]2CCO)n(Cc2ccco2)c1C 1644597478 YBOSRPSAXCULER-MRXNPFEDSA-N 434.518 1.038 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCC2(CCOCC2)O1 1648093838 KCJGRTNJOVUWIS-AEFFLSMTSA-N 449.573 1.984 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648414598 SKQOPTHDSBQPHV-IERDGZPVSA-N 448.545 1.742 30 10 IDEE Cc1ccc(C(=O)N2Cc3cccnc3N3CCC[C@H]3C2)cc1S(=O)(=O)NCC#N 1649196208 UIZVVQODXSDSFW-SFHVURJKSA-N 425.514 1.817 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N[C@H](c2ccccc2)C2CC2)c1=O 1652136099 IUNRTOHJJCZJLA-HXUWFJFHSA-N 438.484 1.491 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1653658689 CGVJFUYDQAQBLL-UXHICEINSA-N 437.562 1.594 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCOC[C@H]3CNS(C)(=O)=O)c2C#N)C1 1654419109 ZFRLHWRBKZDUQS-UONOGXRCSA-N 440.591 1.323 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1 1655430792 GMMOFVXGBDBOGC-HSZRJFAPSA-N 439.537 1.835 30 10 IDEE CN(CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)Cc1cc(C#N)cs1 1656279847 OUMHYGPVVDJWAA-UHFFFAOYSA-N 427.573 1.776 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cccnc3Cl)C2=O)c1 1656384707 HRXMGXDAEQIRKC-FQEVSTJZSA-N 425.832 1.832 30 10 IDEE C=CCn1cc(CNC(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)nn1 1682725546 OEVTYBKKPAGVOQ-INIZCTEOSA-N 446.577 1.892 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1689989519 GJEVACREQVBICS-RTBURBONSA-N 444.557 1.856 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@](C)(CC)O1 1690077067 HYUZQHCSAHBEDA-UWVAXJGDSA-N 439.582 1.418 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1690077930 ZWWIQZMGPWIPGU-OAQYLSRUSA-N 427.578 1.780 30 10 IDEE C#CCSCCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690186381 ORFPEIVDZDPQSW-HRCADAONSA-N 448.593 1.727 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690313267 PBXFGNFAGYLSRX-MSOLQXFVSA-N 439.582 1.078 30 10 IDEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690358971 PKCVAPRBOHFPCE-RIFZZMRRSA-N 425.961 1.840 30 10 IDEE C=C(Cl)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690359064 ROGDMHKNMAXAKD-IBGZPJMESA-N 427.933 1.366 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1COCCO1)C1CC1 1690539496 BMSDJFHSBZLSNM-GOSISDBHSA-N 447.561 1.766 30 10 IDEE C=CCn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1690653057 AJPVGTMEYSZRDS-HMFYCAOWSA-N 435.569 1.872 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1690682487 PWRHJEBCJZSEQD-SZMVWBNQSA-N 447.561 1.869 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)COCCO2)C1 1690687439 BJXXIKJPEVKLBO-QIJUGHKUSA-N 436.553 1.906 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1691567775 DCWBXCRNZCEHGV-HSZRJFAPSA-N 438.532 1.947 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1695697415 SZVGMUDZVPDDFU-UHFFFAOYSA-N 442.549 1.516 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1695964137 VCEXYQSHNJAKHB-UHFFFAOYSA-N 428.493 1.494 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1696701477 QGFFZMBFVHOMQZ-UHFFFAOYSA-N 440.529 1.909 30 10 IDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)CC(F)(F)F 1696811200 HDTHRRJEIXGEHF-MRXNPFEDSA-N 448.453 1.525 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1697780957 DHKUGMAIUTVRNJ-ZWKOTPCHSA-N 429.500 1.750 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705522835 NKGUUMYMERRQSN-UHFFFAOYSA-N 428.459 1.725 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1705563496 YTIGGKLXCLGWRU-UXHICEINSA-N 446.573 1.796 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705829768 BUCVXDGIQWYDAU-QGZVFWFLSA-N 427.571 1.630 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705903448 WMDMDEAFJIHYBN-HZPDHXFCSA-N 432.550 1.817 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1705907088 ZKCRZDCMGKSBRC-UHFFFAOYSA-N 445.474 1.418 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2occc2C)C1 1705922770 RXRLNNQHVCJHRA-SJORKVTESA-N 442.520 1.732 30 10 IDEE CC(C)(O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1706198136 FJPDMGNPEZXBOJ-MRXNPFEDSA-N 432.912 1.751 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1706426024 FFQADMUHCLAVRJ-FQEVSTJZSA-N 437.548 1.554 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F 1711049373 DYAQDKFAWRQXGB-UHFFFAOYSA-N 434.447 1.741 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1711235432 VZHKVTHKPIMHGD-QGZVFWFLSA-N 439.545 1.757 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1722296662 TYERUDYRIRTLEP-HRPDOCRFSA-N 429.546 1.782 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1722298410 ZPUGDKDEYGWRPH-VNRULFPQSA-N 444.499 1.501 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1722359654 VLPGWWTULCGDSJ-XSLAGTTESA-N 433.578 1.479 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1722368611 SEKUJYBVOVYMLE-XDNAFOTISA-N 433.578 1.682 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1722370041 FSBVEXVTJMTAON-UHFFFAOYSA-N 446.555 1.467 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722553818 IBELEDJFFZCMJT-GOSISDBHSA-N 446.987 1.635 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722626127 JSVLMYOLFUQQDS-FQEVSTJZSA-N 441.580 1.619 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC)C1CC1 1722650521 CXHBMLJPIMFHMC-AWEZNQCLSA-N 434.566 1.688 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722850735 HWJKYSHNQYEMGX-UHFFFAOYSA-N 435.532 1.792 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1729396247 AZJOTJNXZFHHTP-HXUWFJFHSA-N 437.548 1.584 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)O 1729568028 ZYHBWWNKCLXPFM-HNNXBMFYSA-N 448.369 1.994 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740550140 PHZJQWVNGIEWBW-OLZOCXBDSA-N 426.468 1.847 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740621724 OKGWUQRXCRPVNT-NQIIRXRSSA-N 429.546 1.782 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1740689304 UWVKWELEYDDAGE-OAHLLOKOSA-N 428.459 1.237 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)c2nccs2)CC1 1740692576 MEUQAVIUCADVHZ-DYESRHJHSA-N 430.578 1.946 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1 1740724382 AZUDUWTUBBQNKH-IPELMVKDSA-N 440.639 1.318 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1740946538 YANUHMWSIVVRSP-QGZVFWFLSA-N 428.468 1.282 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1740951348 VTQAYBXAHDFHCA-UHFFFAOYSA-N 445.527 1.982 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740959552 ZNCVZAQQEGONRX-QKKBWIMNSA-N 440.508 1.141 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1740962707 MFQRRHDMIPICPA-UHFFFAOYSA-N 426.496 1.521 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCNC(=O)C1 1740988852 RLEVJTWBSLJIJC-UHFFFAOYSA-N 426.502 1.030 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 1746947192 ACPNGAKFELMHNQ-AZOSJMHDSA-N 447.561 1.616 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nncn1C 1748006558 NDTDFJKWKCJNBT-MRXNPFEDSA-N 434.277 1.665 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1748315653 FGOZTMDRLWIIHQ-ROUUACIJSA-N 443.529 1.783 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1748772369 NDVMVBSDSIJEHD-MRXNPFEDSA-N 431.566 1.310 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1748772727 PMDDWPVOZULDBT-CYBMUJFWSA-N 436.504 1.232 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748812642 YOLUZMBOVTYDLW-BQFCYCMXSA-N 432.550 1.423 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN(C)C)cc1 1748825234 RZOCHFALDRPDEN-UHFFFAOYSA-N 434.544 1.576 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749034096 WCAWHJVUNRYSNR-HOTGVXAUSA-N 432.594 1.727 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)CC1 1749667104 SXDULIOGNKAWHN-UHFFFAOYSA-N 426.502 1.471 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1749681070 WJWMAWOXQOVNTG-INIZCTEOSA-N 432.912 1.528 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682580 VVVVKJSLKONFEX-HRCADAONSA-N 434.541 1.576 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1749731829 LQBXVPIPEVUJCC-UHFFFAOYSA-N 436.607 1.843 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1749756549 ZHNRIAXNAFSJEZ-CABCVRRESA-N 437.595 1.569 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760114858 VAJHWSDIKOBCHA-IEBWSBKVSA-N 435.532 1.036 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1760221432 WAYZXNZOXTUSFE-UHFFFAOYSA-N 438.495 1.522 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760554721 KWJNKDXNDUFWNP-UZLBHIALSA-N 426.583 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)C)CC1 1760557853 XWDLVTFKONAYAD-UHFFFAOYSA-N 449.625 1.707 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1761237917 FBWFAKVVYUAUJM-PMACEKPBSA-N 437.548 1.982 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1762033883 CTLUXJYGYWSPHL-HZPDHXFCSA-N 446.577 1.991 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1770751614 IUVPVLRLBMSWCA-QWHCGFSZSA-N 438.460 1.423 30 10 IDEE COCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1771055673 WPFDARLYJZGDOS-OAQYLSRUSA-N 439.564 1.408 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCCCCCC1 1771564579 NLFPLFUCCIODJT-CZIZESTLSA-N 441.536 1.811 30 10 IDEE CC(=O)c1c(C)nn(CC(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1C 1851231298 JLPYSGDTYIJDIS-NRFANRHFSA-N 440.500 1.897 30 10 IDEE CN1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CCC1=O 1852166785 HYQUOBSJTMCXRT-HXUWFJFHSA-N 440.525 1.139 30 10 IDEE N#Cc1ccc(OC[C@H](CS(=O)(=O)c2ccccc2)OCC(=O)N2CCOCC2)cc1 1852224795 TYYSNWCQTMSEJA-HXUWFJFHSA-N 444.509 1.655 30 10 IDEE C[C@H](CCC#N)N1CCC([C@@H]2CC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1853944157 YUFWHRLWFJNKKR-NVXWUHKLSA-N 436.578 1.190 30 10 IDEE CN([C@@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cccc(C#N)c1 1855345509 KCKNHVSIXKXIQS-QGZVFWFLSA-N 425.466 1.697 30 10 IDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 1861268762 UMLPWUYKAHMKIP-KRWDZBQOSA-N 430.892 1.216 30 10 IDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 1872627970 DCQVGZPHSRUNIS-UHFFFAOYSA-N 431.405 1.747 30 10 IDEE COc1ccc(C2(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)CC2)cc1 1889412623 RKVUUNDAHKMITL-UHFFFAOYSA-N 425.573 1.985 30 10 IDEE CCOC(=O)c1c(S(C)(=O)=O)nn(-c2ccncc2C#N)c1I 2080364397 GRFYIMPNAZEVBI-UHFFFAOYSA-N 446.226 1.324 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085653714 ADGWLUWLQXYXLE-UHFFFAOYSA-N 433.314 1.691 30 10 IDEE CO[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2124520138 RHFKVOSVPDQNGH-HUUCEWRRSA-N 448.329 1.739 30 10 IDEE C[C@@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2248406253 WHSWAFGZIACKFP-VXGBXAGGSA-N 438.359 1.986 30 10 IDEE C=C(Br)CS(=O)(=O)N=c1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH]s1 2253359991 BDCKCIYTXGNHNL-UHFFFAOYSA-N 439.357 1.945 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626951 MCLRYJRKPZOPEM-MNOVXSKESA-N 430.236 1.381 30 10 IDEE C=CC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2255797130 CBSNGLCHLUBIES-UHFFFAOYSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255876563 CYYVOUDDUFUNBD-UHFFFAOYSA-N 434.342 1.945 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267183519 GVXDJNFCAABYAK-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 2267269598 GIIZACSERQUMTD-SFHVURJKSA-N 439.369 1.899 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267553578 ZVKFFIMXDAVLON-PEBXRYMYSA-N 444.341 1.763 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873466 YUCPUKUKSPFUNE-NEPJUHHUSA-N 442.247 1.447 30 10 IDEE C=CC(C)(C)[C@]12C[C@H](O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@@]31N(OC)c1ccccc12 2294829647 HHLNXXASUKFCCX-CDNPAEQRSA-N 435.484 1.659 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1F 2296614888 ACXFEQILUBEQRC-IBGZPJMESA-N 428.464 1.920 30 10 IDEE CC#CCN(CC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300538621 HEDKZTGPPWKCNG-IRXDYDNUSA-N 439.553 1.981 30 10 IDEE COc1cccc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1OC 2325610516 CVNUUPIVGXBWSG-UHFFFAOYSA-N 432.454 1.750 30 10 IDEE C#CC(CO)(CO)N[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2379594913 BJOIKTMOPRZGJF-NSHDSACASA-N 427.114 1.519 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(CCCCC)c(=O)c3ccccc23)CC1 57830855 WPWLKHMMDCLABC-UHFFFAOYSA-N 425.533 1.647 30 10 IDEE COc1cc(/C=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)cc(OC)c1OC 253576387 VTPWMAZZLWYRPB-RGVLZGJSSA-N 449.537 1.143 30 10 IDEE Cn1c(N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c(C#N)c(=O)n(C)c1=O 301624743 PIUNXWDGVWGTPC-JTQLQIEISA-N 428.802 1.714 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccnn2-c2ccccc2)c1=O 447787167 OZKWSUMQDPRLKE-UHFFFAOYSA-N 435.553 1.925 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2=O)c1 481279348 ULZLWUCWAZKKRC-HOCLYGCPSA-N 442.497 1.155 30 10 IDEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508749007 UCMYTNLBDOSXEI-UHFFFAOYSA-N 449.559 1.517 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 508797266 YVTNBJYOXJCYSC-QRVBRYPASA-N 432.569 1.369 30 10 IDEE N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 509635686 FUQDVQKIDRPJIO-LBPRGKRZSA-N 429.520 1.748 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cs1 513787098 SWOHYTPOCPPYKG-UHFFFAOYSA-N 440.572 1.103 30 10 IDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1 523356910 LHIGZWNHEOFBBF-WBVHZDCISA-N 436.559 1.460 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 523919143 AEDOKGPLRNRPBS-NRFANRHFSA-N 426.565 1.328 30 10 IDEE CCOC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 523984180 HHHWPMZNSBDJQW-UHFFFAOYSA-N 436.468 1.787 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1-c1ccc(F)cc1 531598323 QQMOCGQVOSCOQT-UHFFFAOYSA-N 445.479 1.473 30 10 IDEE C=CC[C@@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 543833973 HOUYZBHXNBBLNR-INIZCTEOSA-N 441.550 1.341 30 10 IDEE COc1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1S(=O)(=O)N(C)C 546929506 GKXONTATOLPUKG-UHFFFAOYSA-N 444.517 1.566 30 10 IDEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 552706917 VEGHTKCMTJXJIZ-SXLOBPIMSA-N 434.558 1.977 30 10 IDEE CCN1CCN(c2ccccc2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 553563131 DLOJDLXNZCKVDV-UHFFFAOYSA-N 427.530 1.617 30 10 IDEE COc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1C#N 570438555 JEKDLRXEYLSNSC-UHFFFAOYSA-N 435.527 1.830 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccco3)n2C[C@@H]2CCOC2)CC1 582618676 GDSHNKJBNHKKCH-SFHVURJKSA-N 428.537 1.117 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C 590943165 SHBGIMGXFRMUJF-HNNXBMFYSA-N 439.562 1.923 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 608474574 OAOBZUPTAUNDHO-UHFFFAOYSA-N 439.537 1.017 30 10 IDEE Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 726316532 VCRJWDDTTHJDBR-XQNSMLJCSA-N 432.506 1.427 30 10 IDEE CCCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccoc2)c1=O 727414762 AUWXIYCWEZRMRF-UHFFFAOYSA-N 437.477 1.826 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Cl 727682433 WNQDPACRNZRZCJ-LLVKDONJSA-N 426.741 1.914 30 10 IDEE C=CCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)n1ccc(=[N+](C)C)cc1 728555357 DGYIFAFEBCKVDP-UHFFFAOYSA-O 433.579 1.690 30 10 IDEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 748064254 NHNORAUFTWIDOD-UHFFFAOYSA-N 430.599 1.886 30 10 IDEE N#Cc1cccnc1N1CCN(Cn2nc(Br)nc2Br)CC1 751593033 MNBPDPHAKBOPRZ-UHFFFAOYSA-N 427.104 1.849 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2(C)CC2)C1=O 751924050 LVRKPYJXVUWNJM-INIZCTEOSA-N 431.562 1.585 30 10 IDEE C#CCOc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 780138137 VRCMEGAZUCTHHJ-UHFFFAOYSA-N 439.493 1.240 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 781663249 IXRXPUOCOGDZNR-UHFFFAOYSA-N 445.504 1.856 30 10 IDEE COc1cc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)c(OC)cc1Br 781700506 KYSALYMZSLUHFL-UHFFFAOYSA-N 428.264 1.795 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)n1 788819178 CGWZODIGRHTDKU-KRWDZBQOSA-N 440.500 1.562 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 790118289 SVGCNCYQLLYKQT-QGZVFWFLSA-N 433.534 1.571 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cc(Cl)ccc2OC)N(CCc2nnnn2C)C1=O 792757961 PVLHSULOKPXJCM-CYBMUJFWSA-N 437.913 1.182 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 803523333 NJTAVUFFOUCADY-LJQANCHMSA-N 425.510 1.172 30 10 IDEE COc1cc(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)ccc1C#N 810869531 FGRWHTFALGODPO-UHFFFAOYSA-N 430.305 1.968 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nnc1N1CCNC(=O)CC1 812181520 NVZUMZBSLJTSFU-UHFFFAOYSA-N 446.577 1.878 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnccc2C#N)CC1 814145937 RMSVDTWUDKUWOU-INIZCTEOSA-N 431.493 1.448 30 10 IDEE CN1CC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](c2cnn(C)c2)C1 849498095 RZAYBQGKMFLZHR-MSOLQXFVSA-N 449.515 1.924 30 10 IDEE C#CC1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCCC1 1133023982 ISIRFJLMRHDIGX-UHFFFAOYSA-N 429.498 1.637 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 1136215058 XFDORRKCPMKRKR-JKSUJKDBSA-N 430.571 1.751 30 10 IDEE CON(C)C[C@H](O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1137575924 HMYPOCGZPCICMZ-PBHICJAKSA-N 446.895 1.254 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 1149432177 LXYIGEQBRUQLPP-UHFFFAOYSA-N 438.513 1.816 30 10 IDEE C=C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1183334283 VMKLIYWTAAKFQE-MRXNPFEDSA-N 441.575 1.302 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 1192216434 YUSUUWJOVUAVIM-UHFFFAOYSA-N 445.559 1.466 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1194692362 WQDQKKXHKBIKRG-QGZVFWFLSA-N 425.576 1.237 30 10 IDEE CS(=O)(=O)c1ccccc1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1221728174 BEFBJZQPKLJJGJ-UHFFFAOYSA-N 427.530 1.867 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)C[C@H]1CS(=O)(=O)C2 1226743911 DTSITQSIECRDKN-DEYYWGMASA-N 442.463 1.864 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1254416922 XENPMDNMVPFIOE-TZIWHRDSSA-N 449.559 1.778 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(=O)(=O)CC 1286285870 RADGKYOEJHRSMF-KRWDZBQOSA-N 441.561 1.918 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1286417143 XFODHWGFDOOYFY-UHFFFAOYSA-N 437.891 1.794 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1286450398 RFSJZLSEMUOYEP-HNNXBMFYSA-N 435.575 1.554 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1286467653 RONYDRJLSHJSSD-KRWDZBQOSA-N 448.545 1.332 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(CC)CC)N(C)C)CC1 1286483230 DCPSDRUCBMZLIP-HXUWFJFHSA-N 429.613 1.522 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286709599 YXDILSCUAAQQFP-IAGOWNOFSA-N 444.488 1.627 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286710520 ZEQAZKLANCBEAX-HOTGVXAUSA-N 434.541 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286817573 NYCSWXJNKJRKBU-XLIONFOSSA-N 425.599 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286819063 YLKFDLOBNDGYCV-KRWDZBQOSA-N 444.565 1.527 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@@H](COC(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1291666715 BXUTYBODQZVGJZ-NMQZXRHPSA-N 446.552 1.948 30 10 IDEE CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1292981612 JXNFYXJSKMQXTG-IAFNSTAXSA-N 445.524 1.470 30 10 IDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1299540991 DMMSCQWVMLFXCY-FUHWJXTLSA-N 446.577 1.959 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1300298434 COBWGYYFAQJKFS-ONSXPEOJSA-N 434.591 1.607 30 10 IDEE C#CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424652 KMLKMSKFYHWWJV-QFIPXVFZSA-N 441.536 1.319 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2CC)CC1 1300710504 DHZFPRLWMSHXEO-LJQANCHMSA-N 443.596 1.257 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(N(C)C)CCSC2)CC1 1301065434 FCBHBZWOLQNOKA-MAUKXSAKSA-N 428.628 1.482 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1301372393 YNOVOIQRNXZOHY-UHFFFAOYSA-N 446.533 1.044 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301507032 UIRBLZCSYQXTBQ-HXOBKFHXSA-N 441.532 1.564 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1301515692 XYAUFBDVOUNZKH-QGZVFWFLSA-N 442.495 1.500 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301589844 YNLPPZKULQPKBW-MBOZVWFJSA-N 440.566 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301596109 IBAHJBCHVCMGCB-IAGOWNOFSA-N 439.582 1.471 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1301773245 ZDJIFSWLDQBPEV-MRCUWXFGSA-N 435.488 1.638 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1302494294 HFYIJAHIQIFGLQ-MSOLQXFVSA-N 439.545 1.956 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1303228736 PVFROXCQFVWHGO-NMQZXRHPSA-N 444.536 1.560 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)C1=O 1305877790 JPVOQENLZOVWKG-KKUMJFAQSA-N 434.493 1.258 30 10 IDEE C#CC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1312977827 RBYJPBYFDCSIMZ-UHFFFAOYSA-N 434.562 1.202 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1315046890 NVIAERHTPCIMCN-MOPGFXCFSA-N 435.532 1.696 30 10 IDEE CSC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1316435844 FYBISCCKYMGIGY-YLJYHZDGSA-N 447.586 1.698 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358962318 NUCSBOCOVGGNKJ-MSOLQXFVSA-N 449.577 1.063 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1358998977 YRHUXISUGONCRY-QZTJIDSGSA-N 435.594 1.599 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncnn2C(C)(C)C)CC1 1359029497 ZFAHAHJVICZMRL-UHFFFAOYSA-N 448.535 1.075 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1359044837 PROIPNWEPJEBDA-LAUBAEHRSA-N 437.544 1.849 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1359100642 DUFPPOOWDZBXSR-ICSRJNTNSA-N 425.537 1.707 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359152985 PGXKNFCVIJAVPE-QGZVFWFLSA-N 429.912 1.783 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1359293448 QFLORKAKLFECMC-IBGZPJMESA-N 439.564 1.974 30 10 IDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCC(O)CC1 1359715592 FUJRYSLGPFBMPW-UHFFFAOYSA-N 438.580 1.842 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1360469782 HCFUVRWRUXCXPV-QRWLVFNGSA-N 433.534 1.892 30 10 IDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1361284598 HVYWUWYXTGJBKH-WMZOPIPTSA-N 432.550 1.706 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)CC1 1443352341 CYBVGEVWDZCTDC-HSZRJFAPSA-N 436.597 1.847 30 10 IDEE COC[C@@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCCN1C(=O)OC(C)(C)C 1443537890 ROYYLYLWYDMORP-LVWMNBHTSA-N 436.509 1.435 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1460229430 FJHXIFDPAVOZSE-ROUUACIJSA-N 433.530 1.494 30 10 IDEE Cc1c(S(N)(=O)=O)sc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1Cl 1463852467 PGTVWJPOSPHQSN-UHFFFAOYSA-N 425.923 1.586 30 10 IDEE CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)ccn1 1464054002 BFHYAFINCRQRMQ-AWEZNQCLSA-N 436.440 1.823 30 10 IDEE C=CCN(C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)[C@@H]1CCS(=O)(=O)C1 1466039940 BFTCYRAPXNCPGJ-CABCVRRESA-N 430.552 1.067 30 10 IDEE C=CCC[C@@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1468124482 DBXLGHMJFZQTKJ-GOSISDBHSA-N 438.546 1.898 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)N3CCN(c4cnccc4C#N)CC3)[C@H]2C1 1471263541 BJFIRDJINFUVKZ-QZTJIDSGSA-N 426.521 1.898 30 10 IDEE Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1492715558 BQRCAURZJSXYQX-UHFFFAOYSA-N 448.531 1.641 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507631530 QJQYYPSMHVJCJG-QGZVFWFLSA-N 430.578 1.774 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1507632590 NVTRRUGGPZWFNF-RBUKOAKNSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCCCCC1 1507641924 MVDHAARQSOJQMN-HSZRJFAPSA-N 427.549 1.796 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507667778 WJXMWOSHPGOZSV-SFHVURJKSA-N 441.557 1.698 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCCN1CCN(CC)CC1 1507760145 UHIDPVLKSJBHMF-HSZRJFAPSA-N 429.613 1.826 30 10 IDEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507933948 BXUUMNXAILSWSM-GOSISDBHSA-N 432.569 1.702 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1507983383 QDRIKGWIHMLJET-GOSISDBHSA-N 449.577 1.929 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1508041347 MVRXGRSJCQQSST-GOSISDBHSA-N 441.536 1.148 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)C)C1 1508123300 HOCSJCYYGSNINO-DLBZAZTESA-N 427.571 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(Cc1ccnn1C)C1CC1 1508137238 LCHWANQOGBGYMB-UHFFFAOYSA-N 427.534 1.843 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1508400193 HWYIRROMBYINGF-UHFFFAOYSA-N 441.536 1.606 30 10 IDEE CC1CCN(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1512355893 VEDKEXRYWHZVPZ-KNQAVFIVSA-N 432.569 1.779 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1nccs1 1515864527 JPSHAJNUSPXYEV-UHFFFAOYSA-N 432.527 1.276 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1516792585 BESUPGZZKLEDRY-FQEVSTJZSA-N 433.534 1.493 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1=O 1517408352 XXKZGDACYVYLDS-DYESRHJHSA-N 442.545 1.308 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CC1 1521143249 HNFPRBQXUYXMNY-GOSISDBHSA-N 448.593 1.713 30 10 IDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOCC1 1532405787 RVDFVUVCRQCJHW-UHFFFAOYSA-N 435.502 1.001 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](F)COC)CC1 1539434163 BBWXVJXWLFKNRK-OAHLLOKOSA-N 439.333 1.786 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1539750792 CLRKLXKRNBYOAM-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539758050 BCYSWJALWQJSSU-LJQANCHMSA-N 445.545 1.945 30 10 IDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)C(=O)C1 1539816939 ICDXVCQALIDAPF-UHFFFAOYSA-N 438.941 1.317 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1540073434 QDMRPATWSAPFQX-QGZVFWFLSA-N 447.561 1.804 30 10 IDEE CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1 1540730478 FCUWLTSCUPJIFP-OAHLLOKOSA-N 446.916 1.789 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540863611 ZIMKTWUKQIEAMS-ZWKOTPCHSA-N 431.585 1.227 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1540898381 IWXLXWCKIHILAW-MRXNPFEDSA-N 427.571 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC(C)(C)[C@@H]1C 1540907732 GSMKPLVQNNUTJW-ULQDDVLXSA-N 442.582 1.607 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540913397 MHCYMTQNFQMROI-UHFFFAOYSA-N 425.584 1.070 30 10 IDEE CC(C)(CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)NS(C)(=O)=O 1542973387 LSQCUNFBVWKECK-SHYRYGCCSA-N 428.555 1.217 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)CC2=O)cc1Cl 1544604921 PFPJJOCVHWYGRD-MTJIALIYSA-N 429.864 1.059 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1547783669 FDZPHNJJKXNIHF-SFHVURJKSA-N 441.517 1.295 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555996903 WPEMAKVSNPFHPM-RWNPKEDZSA-N 439.520 1.829 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](Oc4ccnc(C(=O)NC)c4)C3)cc2C1=O 1556861817 LBEWWMVUBONJOC-KRWDZBQOSA-N 448.479 1.907 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1567949961 PCOQQROUCYLALE-VBQJREDUSA-N 438.937 1.399 30 10 IDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1583653376 PVFXMMOUEDIDQX-INIZCTEOSA-N 426.466 1.744 30 10 IDEE C=CCC1(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CCOCC1 1587324492 DBKKVRBQNVVHRM-UHFFFAOYSA-N 435.546 1.884 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1587638398 DNLSVRLXZUEEER-IRXDYDNUSA-N 439.582 1.276 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1587706815 SZWHRQWGICWWEP-MRXNPFEDSA-N 438.598 1.433 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COC[C@H]3c3ccccc3)CC2)cc1 1588158619 WVMCVOZGXYBBFD-SFTDATJTSA-N 425.510 1.821 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCOCC1 1588258602 FFYFPDUIYMLXDR-PMACEKPBSA-N 429.565 1.576 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)C(C)C)CC1 1588806205 JMBYIYIVUKIQBV-DEOSSOPVSA-N 449.559 1.354 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1594497181 BPZPKQINBVNULU-YESZJQIVSA-N 439.582 1.581 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1 1595759921 HNRQJXHXDZPIQL-CQSZACIVSA-N 433.600 1.258 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595884609 OQMCAMSGRDJMFU-INIZCTEOSA-N 429.612 1.467 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1596483439 AGGOQVSVKRHKGU-QGZVFWFLSA-N 442.545 1.356 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1611476398 MGYPGXNOKPSQKI-UHFFFAOYSA-N 437.500 1.099 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](C)N(C)C 1611671852 GLSGHEHCXBVVFA-CVEARBPZSA-N 445.593 1.879 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1612998626 PUOYDEDSGJDVKG-AEFFLSMTSA-N 444.561 1.446 30 10 IDEE CN1CCN(C(=O)CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1616218165 HTGNBZUIYCEYQT-PSCUFVCCSA-N 433.553 1.054 30 10 IDEE COc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)c1 1619330384 AYTAHVHFMUWAGZ-MRXNPFEDSA-N 439.520 1.577 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619602179 DAFTXKWTNGAFJW-RBUKOAKNSA-N 441.536 1.774 30 10 IDEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1619915080 HBRXVGIYQIGYBP-IBGZPJMESA-N 447.561 1.883 30 10 IDEE COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2C#N)CC1 1619923199 UOKZNNZDMPKYCD-ICSRJNTNSA-N 426.521 1.847 30 10 IDEE C[C@H](NC(=O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(=O)N(C)C 1620633156 JHJZQYVCHLVELV-CIUDSAMLSA-N 425.320 1.682 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OCC 1622449202 NQEXYHYQVLOSGG-LBPRGKRZSA-N 439.715 1.901 30 10 IDEE Cc1nc(NC(=O)COc2ccc(C#N)c(Br)c2)c(C(=O)NCCO)n1C 1623446761 ZSZHVTZLUXLURQ-UHFFFAOYSA-N 436.266 1.102 30 10 IDEE CN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(C#N)c(Cl)c1 1624013021 FJQJEJFWULFPFN-UHFFFAOYSA-N 432.889 1.609 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1)C(=O)OC(C)(C)C 1627786178 ZCXOOGPEPNZOPW-UHFFFAOYSA-N 429.517 1.915 30 10 IDEE C#CC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1)C(=O)OC 1629617619 VHDOBTGDJOWAMX-SNVBAGLBSA-N 440.275 1.975 30 10 IDEE C#CC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1630864205 HWALVZICWCOJHE-IBGZPJMESA-N 431.558 1.562 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1 1631151263 GBFPVOPYAUWRAZ-UHFFFAOYSA-N 431.445 1.427 30 10 IDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1632328717 SFZSDDPMNOTBNR-IVZQSRNASA-N 427.480 1.847 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1)[C@H]1CCCO1 1634470419 SPIZFVWWTSABJQ-ZIAGYGMSSA-N 425.436 1.920 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 1634673728 KKFUBXGQJHQZJW-UHFFFAOYSA-N 439.519 1.723 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C)(N3CCOCC3)CC2)s1 1643322275 IXYAHIAEZVIGBM-UHFFFAOYSA-N 427.592 1.468 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 1643372408 KGVGZMQWTQCHJU-UHFFFAOYSA-N 442.328 1.405 30 10 IDEE C#CCC1(NCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CCOCC1 1644567771 WSQBYSNSJRDVHG-UHFFFAOYSA-N 445.585 1.912 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4sc(S(N)(=O)=O)cc4C3)cc2C1=O 1645896843 FAWZSTXLLHMGOZ-UHFFFAOYSA-N 431.495 1.376 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1646082963 XUMNBNWRDMEJAZ-OAHLLOKOSA-N 428.514 1.632 30 10 IDEE N#Cc1cn(CCC(=O)NCCN=[S@](=O)(c2ccccc2)C(F)(F)F)c(=O)nc1O 1650892870 VZUYQAFFWCLVTG-PMERELPUSA-N 443.407 1.374 30 10 IDEE Cn1c(N2CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1652051730 IAZGGDOLLJRWHQ-WCQYABFASA-N 445.442 1.485 30 10 IDEE N#C[C@]12CN(C(=O)c3cc4ccc(C(F)(F)F)cc4nc3O)C[C@H]1CS(=O)(=O)C2 1653072600 HBICGIOTRDFMHZ-YVEFUNNKSA-N 425.388 1.970 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 1654466349 WRWNMPPVBIHEME-NRFANRHFSA-N 425.514 1.175 30 10 IDEE CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCC1 1663381082 GYCHEJVQCFBUHK-QGZVFWFLSA-N 432.543 1.072 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1663768429 DJCZLHKPMQLGJD-DLBZAZTESA-N 439.534 1.251 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(n2nncc2I)CC1)[C@@H]1CCCO1 1671889560 IXCPDQWXXLTPIM-OLZOCXBDSA-N 429.262 1.410 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC1 1678330997 AYOIATKSOAIIEY-UHFFFAOYSA-N 428.514 1.774 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689889052 XQEOXHCDUZZPOH-GOSISDBHSA-N 437.548 1.796 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1689993286 ZURJOTQPYMIPCM-QGZVFWFLSA-N 431.518 1.694 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1689998304 INRGQNCPOHRQJU-FQEVSTJZSA-N 448.575 1.272 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1690048783 OCKNUTOSNYBLTM-QGZVFWFLSA-N 431.537 1.820 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOC2=O)CC1 1690115280 ZNLXJYNVSONWBS-UHFFFAOYSA-N 439.476 1.451 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690155395 JLPVZPNCEWOQRF-CABCVRRESA-N 441.517 1.227 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1 1690411228 IGJZUOHHWXCCPN-HNNXBMFYSA-N 428.580 1.160 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CS(C)(=O)=O)CC2)C1 1690711657 FVFMRQAUPPFQOO-SFHVURJKSA-N 448.593 1.746 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1691477558 VUSSJQOODQYXMR-QGZVFWFLSA-N 427.465 1.744 30 10 IDEE CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1692417746 AITUEXIDZWHGNU-INIZCTEOSA-N 439.520 1.720 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCCNS(C)(=O)=O 1696676191 JJNWEVQVAJIWAK-UHFFFAOYSA-N 439.545 1.711 30 10 IDEE CN1C[C@](C)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1696874032 BHLFNLWXTOBGGT-DYESRHJHSA-N 442.545 1.167 30 10 IDEE COCCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1698182063 SRALDPGIQZSKDJ-LJQANCHMSA-N 438.504 1.070 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1705476475 ARACTGYJWCBDMJ-DLBZAZTESA-N 445.593 1.658 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2nncn2CC)c1 1705506768 HZKGFHJKZJMGPH-GOSISDBHSA-N 448.531 1.888 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2=CCCOC2)c1 1705507454 BRZWQKMYUXOBKD-UHFFFAOYSA-N 448.527 1.803 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705516641 GLSRZGBTMSWULB-MRXNPFEDSA-N 447.540 1.239 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)nn1C 1705628202 ABZCZKJNMRFRTQ-UHFFFAOYSA-N 449.563 1.628 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1705631031 OZIBXQFNYUASRZ-KRWDZBQOSA-N 446.552 1.738 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1705754846 GWSWEPYHCZLLPZ-ZIAGYGMSSA-N 436.003 1.695 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C 1705909327 TZBUGXPCLNCRKH-SFHVURJKSA-N 445.612 1.401 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705933335 CRBQKUPCTUSJDL-NRFANRHFSA-N 447.561 1.517 30 10 IDEE CC[C@H](C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1\N=CC=CC1=O 1708475439 ZALPYZMZOIEXAL-LZICOFPGSA-N 441.536 1.425 30 10 IDEE CCCN1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1709783121 IKNSLAQAMGPWMN-AEFFLSMTSA-N 437.614 1.893 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1709937867 CFLUDXLRCIYMQA-SFHVURJKSA-N 444.561 1.745 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1710824957 CXALYAVOZCEGJX-GOSISDBHSA-N 439.564 1.890 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722418968 JOUHOXKSIFXQEE-MRXNPFEDSA-N 442.486 1.484 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)NC 1722421646 JQXASTDWXUASGY-UHFFFAOYSA-N 442.520 1.592 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC=C 1722422472 SBUYFSWNIRSNQE-QGZVFWFLSA-N 445.520 1.261 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1CCOCC1 1722423821 QFGIEQGZSYGHEC-UHFFFAOYSA-N 436.520 1.824 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2CCOCC2)CC1 1722439414 AVJZNSKZDFGEPJ-UHFFFAOYSA-N 428.606 1.796 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)NC(C)C 1722466568 ZZODBJBCHZAJBJ-HXUWFJFHSA-N 445.549 1.245 30 10 IDEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722526635 ZWVLJTNLULCLEV-QZTJIDSGSA-N 444.580 1.700 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1722713461 BVPYRADHZIWMPR-IBGZPJMESA-N 436.516 1.880 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(CCC)C(=O)C1 1722726635 DKKNOJQNUYETLK-UHFFFAOYSA-N 446.577 1.698 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)no1 1724222287 WHULJZJEBCZMMD-UHFFFAOYSA-N 444.517 1.944 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C[C@H]1OC 1730988635 DZEDMJRALIUQCL-SLFFLAALSA-N 427.505 1.862 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCCCCO)CC2)nc1 1731183600 STVWTGWAENEBNC-IBGZPJMESA-N 425.537 1.928 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740589997 HQPILUAPEJGEOV-HXUWFJFHSA-N 428.581 1.720 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740591286 NMCLVJZMJAAWKV-IBGZPJMESA-N 441.557 1.556 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1740653740 WYFFEWSQZPYJNR-GOSISDBHSA-N 438.532 1.437 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740850301 GOHQPJMLLOFAQH-INIZCTEOSA-N 443.552 1.476 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCS(=O)(=O)C1 1740896736 GVRXRAABVULHIZ-CQSZACIVSA-N 438.579 1.295 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1740968637 DCLVTLWGNDSJND-IBGZPJMESA-N 435.488 1.299 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1748830426 VXWPGLROWNXKBZ-HSZRJFAPSA-N 429.565 1.502 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1748962289 DJRFJLVQJFJMNB-LLVKDONJSA-N 441.298 1.254 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)c2ccccc2)CC1 1748984026 JCKRCGPXIJTTFB-UHFFFAOYSA-N 436.541 1.569 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccco2)CC1 1749003726 TYBVOLABCNDWQH-JOCHJYFZSA-N 427.505 1.537 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749034011 UILTWUSJVJKCJL-UTKZUKDTSA-N 429.521 1.833 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1749251424 FGBWBJJXGBZSDA-ZDUSSCGKSA-N 428.950 1.149 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1749391156 MKVYHHWMKWWCKK-MRXNPFEDSA-N 438.598 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1C 1749651555 XUMCBAYRRCDWTQ-HOTGVXAUSA-N 434.566 1.696 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1749671128 YNVANTQXHIEWLC-IBGZPJMESA-N 440.548 1.557 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1750148669 PWJXYAROHVWORH-KSSFIOAISA-N 449.533 1.528 30 10 IDEE CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1750262360 AUDKKOFPNGQMOW-PBHICJAKSA-N 443.570 1.534 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cccnc3)n1CCSCCCO)C2 1750381894 JPFNCKCZWXUNKZ-UHFFFAOYSA-N 437.529 1.991 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1750382485 GWGCOJYGNQWPRY-UHFFFAOYSA-N 437.472 1.602 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCCO)CC1 1750384728 LYTOWIDMTFFXDL-SFHVURJKSA-N 438.536 1.375 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CC(F)(F)F 1760104756 FPMWYZLZMJYQPC-CQSZACIVSA-N 433.442 1.873 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1760113213 REKVVBXDQFRSQE-KRWDZBQOSA-N 438.536 1.752 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCNC(=O)C2CC2)c1 1760125995 OTACFHVKUCHNSQ-UHFFFAOYSA-N 444.499 1.318 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1760181695 ADBLMADYSZREFY-MRXNPFEDSA-N 430.530 1.979 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760189102 NMURXESDDSXLPQ-HKUYNNGSSA-N 431.562 1.946 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)cc1 1760223599 HZIYHXQYUOILKW-UHFFFAOYSA-N 432.528 1.602 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760512934 AWFFVEQTKCVHDB-LEDOBFOHSA-N 446.596 1.495 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761040813 BSVURWWSTNZMRT-UPTRSRDDSA-N 442.442 1.771 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1761042682 PGNNPBGRVZVRCA-IBGZPJMESA-N 446.577 1.865 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)n1 1761958950 GYIUTECJUWNKOU-INIZCTEOSA-N 430.534 1.735 30 10 IDEE CC[C@H]1CCCCN1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1763335913 FADUYHIJQXEDIN-HAGHYFMRSA-N 432.569 1.995 30 10 IDEE CCOC1CC(O)(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1767700792 UNOMJHGOWNGUAI-GZXVYXBTSA-N 437.516 1.691 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1770355425 FKPPFPPOMIMGLC-UHFFFAOYSA-N 430.534 1.373 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[C@H](C3)C4O)n2CCOCCCO)cc1 1771534539 FNWCZBVBHGKCMM-QIDMFYOTSA-N 441.532 1.725 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC#CCN(C(C)C)C(C)C)CC1 1850566471 SOUIGEDDLGRSCB-UHFFFAOYSA-N 438.594 1.931 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC#CCN1CCOCC1 1851728825 RDGVVWSSKRHQML-SFHVURJKSA-N 427.954 1.095 30 10 IDEE Cc1nn(C[C@@H](C)C(=O)N2CCN(c3nccc(C#N)n3)CC2)c(C)c1Br 1853402182 ROHQFZVYAATEAH-GFCCVEGCSA-N 432.326 1.909 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CCN(S(C)(=O)=O)[C@@H](C)C3)C2=O)cc1C#N 1853953781 IJVSQFPHNGUZGR-QFBILLFUSA-N 432.546 1.354 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1 1856398135 UNCCLGUGALLKRO-MAUKXSAKSA-N 436.509 1.342 30 10 IDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1856962691 HSCIUXIMYFMTBT-KRWDZBQOSA-N 435.521 1.990 30 10 IDEE CC(=O)NCCNC(=O)Nc1ncccc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1858788942 QTQWXLOXZMJZRM-UHFFFAOYSA-N 442.501 1.779 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCO)ccc1O 1862575271 UAQDPYYRJZZOAR-LJQANCHMSA-N 429.425 1.989 30 10 IDEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCNC=O)C2=O)c(OC)c1 1863421324 ACTJXDFPOZJFKQ-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE C=CCN1C[C@H](C(=O)N(CCN2CCOCC2)Cc2cccc(OC)c2OC)CC1=O 1872964821 BCVMLJGUVUEGHV-LJQANCHMSA-N 431.533 1.399 30 10 IDEE COc1ccc(F)cc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889628011 LLMUMUAOVMDNFX-UHFFFAOYSA-N 439.553 1.255 30 10 IDEE C#CCOC1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1892080433 SDPSMZWSJDTULF-KRWDZBQOSA-N 441.347 1.853 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 1984785800 HFLURJZRCIWHIZ-RBZFPXEDSA-N 425.482 1.483 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987532722 MWOBJNLZHBFJDH-OWCLPIDISA-N 425.526 1.780 30 10 IDEE C#CCN(CC(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1993455757 DPYBKQHBPZEWIL-OAQYLSRUSA-N 425.526 1.735 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010523927 PNWWCLSACDUTKP-AABGKKOBSA-N 428.533 1.983 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)NCC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2015034570 QKUBKQWYHCNYKD-XVQYUUQNSA-N 437.537 1.924 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCN)n1 2164487607 OCBHHQSNUYAWOU-FQEVSTJZSA-N 430.461 1.158 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255541999 LLADLUWQVISDFA-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]12CCN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255629508 WVQMQCBBGBLQBQ-OAQYLSRUSA-N 432.330 1.934 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2255842318 PROFOMMTJYWJMU-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256664095 YHOZCXBSGADIPA-OAHLLOKOSA-N 435.330 1.984 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)C2)C1 2258961730 XLHWVYJVIPTQTC-UHFFFAOYSA-N 433.358 1.679 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2259346393 SUBRVHSOHYAGHF-UKRRQHHQSA-N 434.346 1.752 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267128217 WPDYLGSRFNUFCE-HOTGVXAUSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC12CC2 2267162013 KBGLDFQPNVLOTM-OAHLLOKOSA-N 444.341 1.905 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1CNC(=O)OC(C)(C)C 2267184596 NLEUNTPTDNJIRJ-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1 2267213870 IIRRDTMBNATURC-CYBMUJFWSA-N 449.361 1.632 30 10 IDEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1(O)CN(C(=O)OC(C)(C)C)C1 2267266582 QJDZGUZORWNJCD-AWEZNQCLSA-N 449.357 1.424 30 10 IDEE CCCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2267603957 BUPFSEFMNYBWNW-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267605567 OWVXRKNMIANNGI-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268628220 DYZNRWXAYDEZRN-HOCLYGCPSA-N 447.341 1.937 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)n1 2269069005 SUUGLRIFQSJAOC-INIZCTEOSA-N 443.309 1.509 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 2315607518 WJNDPPYUVRKCSO-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2317606242 SYVDTNDFMUGXTE-CYBMUJFWSA-N 436.318 1.045 30 10 IDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)c(O)c(OC)c1 2331260435 ILGWWLXXRZNNMV-UHFFFAOYSA-N 437.522 1.690 30 10 IDEE CC(C)[C@@H]1C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OCc1ccccc1 2370879633 VLWOAQAYYINXRT-IPJJNNNSSA-N 436.574 1.939 30 10 IDEE Cc1ccc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)cc1[N+](=O)[O-] 22694873 YEZJEWDADGLCIM-UHFFFAOYSA-O 445.521 1.757 30 10 IDEE Cn1c(=O)c(-c2noc(CCC(=O)Nc3ccccc3C#N)n2)nn(-c2ccccc2)c1=O 35401940 ZHNQQRNGWNCGBT-UHFFFAOYSA-N 443.423 1.424 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H](N4C6)[C@]2(O)[C@@H](OC(C)=O)[C@@H]1[C@H](O)[C@H]73 257501925 OGNUSOJAYIHLNS-RZALLGQSSA-N 429.513 1.021 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 427166106 AKNVXNGQQTUGCL-MJGOQNOKSA-N 434.562 1.328 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CCC2)c1=O 430990159 QQOIOSFZSRZMNW-UHFFFAOYSA-N 438.509 1.977 30 10 IDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 446177674 QQBAVNUZTKVDAD-WMLDXEAASA-N 433.896 2.275 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(c2cnccn2)CC1 468898672 GLUHTSQWMFNXNA-OAHLLOKOSA-N 428.518 1.142 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)cn1C 482801297 OFUVFRPELQZWIR-FQEVSTJZSA-N 445.545 1.537 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 486654019 QVEVUIOGFWZMNH-SFHVURJKSA-N 427.482 1.733 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)n2)cc1 491361136 PCFYBSQXQDFGFV-SFHVURJKSA-N 429.440 1.058 30 10 IDEE CCOc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCCC1 505219397 ZROIVBZCOIXEIQ-UHFFFAOYSA-N 448.545 1.961 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 505970847 LJPHRGZRHUYTBF-NQIIRXRSSA-N 430.549 1.647 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 507730552 FSXBIYHXJKTIAV-GLCVTWPJSA-N 435.613 1.465 30 10 IDEE C[C@](O)(CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512910109 LLCPIFCDVOBXMY-QFIPXVFZSA-N 427.526 1.775 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 514648423 ROKXEKSGHIWVDG-UHFFFAOYSA-N 443.544 1.499 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)n1cnc(C#N)n1 538401928 HVZRVFLKTGDQKX-NSHDSACASA-N 443.316 1.551 30 10 IDEE Cc1cnc(Cn2c(=CC(=O)C3CC3)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)nc1 577915967 YCRPOQCXHCSLAJ-UHFFFAOYSA-N 438.459 1.795 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC)CC1 578526866 JNUFVNLOFDVVIB-UHFFFAOYSA-N 436.358 1.490 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@H](CC)C(=O)OCCOCC)nc1C 586301976 GDFZATMVRLKRTM-MUWSIPGASA-N 446.547 1.840 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609045446 LGNYOQLBLAHOMO-LJQANCHMSA-N 434.562 1.186 30 10 IDEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 731887587 CPJPGIHLQQPZFA-JIQGDJCJSA-N 430.530 1.489 30 10 IDEE C[N+](C)=c1ccn(/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)NC[C@H]2CCCO2)cc1 732178121 XLLPLIUJFCHCDO-GOSISDBHSA-O 442.565 1.802 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)Cc3ccccc3)C2=O)cc1 733854453 WOFWDPVLKZRNSE-KRWDZBQOSA-N 426.454 1.409 30 10 IDEE C=C(Br)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 747674535 DPPXTZBTIFJEFF-UHFFFAOYSA-N 437.381 1.613 30 10 IDEE C#CCN(C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 753369142 ALTUVSQCHPMPKV-UZLBHIALSA-N 427.567 1.856 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 755538715 SZWWAGVOGNHOTC-QAPCUYQASA-N 443.504 1.337 30 10 IDEE C[C@](O)(CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 757470088 AHRDSCRNUUEKOG-XMMPIXPASA-N 436.464 1.870 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 759913517 BCJUYHPMHOSCCM-HLNJFSBGSA-N 449.577 1.828 30 10 IDEE CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 767741824 UFLLBSXNUZPQHC-QGZVFWFLSA-N 445.524 1.526 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 781019475 JGQGEZKREXAIBP-PKTZIBPZSA-N 432.524 1.927 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781136317 KNQBZZYPMJQZSE-KRWDZBQOSA-N 445.548 1.859 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H](O)Cc2cnn(C)c2)c1 786794977 CLKOLLQBEPNMBP-BUIMCUSZSA-N 433.534 1.555 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2CN2CCOCC2)n1 788851815 VHEOCKOAIYIXQF-UHFFFAOYSA-N 425.533 1.707 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC3CCCC3)CC2)cn1 801293638 SNJYLKXMQDKAAV-HXUWFJFHSA-N 440.548 1.323 30 10 IDEE COc1ccc(Br)c(CS(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 802255277 NEKAVVXRZIGFTC-SECBINFHSA-N 428.268 1.128 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 802600650 XOZPQTODAVZTMT-SOUVJXGZSA-N 442.586 1.814 30 10 IDEE CC(C)CN(C(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 803923404 YIXCVIOMWVTADS-SFHVURJKSA-N 436.505 1.944 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856610944 KDZWMGGTOPZFPJ-UHFFFAOYSA-N 427.480 1.743 30 10 IDEE C[C@H]1CN(Cc2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1136209327 GJTSWQIGUUTQQM-IYBDPMFKSA-N 425.489 1.136 30 10 IDEE C=CCOc1ccc(CC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 1136683696 LNUFNAIDIFHQTH-UHFFFAOYSA-N 445.321 1.835 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 1136755733 GABBGZUAVSQSFU-UHFFFAOYSA-N 433.436 1.860 30 10 IDEE Cc1ccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)NCC#N 1140905682 FSGPYQGEKXWHLE-JKSUJKDBSA-N 440.525 1.893 30 10 IDEE C=C(C)C[C@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1151604327 KGRXBBMMCPPUBT-IBGZPJMESA-N 448.545 1.693 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 1163652028 ILZVCUWXKLZXNA-JOCHJYFZSA-N 443.507 1.667 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2O[C@@H](C)COC)CC1 1216709405 OJWKWUGIHLIMIN-AWEZNQCLSA-N 444.941 1.371 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286325639 XOUOMIKHKJUENT-IBGZPJMESA-N 441.580 1.167 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1286448139 QGYNQZBTRKGNTN-GOSISDBHSA-N 429.546 1.378 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1286469371 UBHXMSQAZAXQBY-UHFFFAOYSA-N 436.516 1.295 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286609900 UGKSDCVBSUNBNI-IEBWSBKVSA-N 432.496 1.961 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCOC2)CC1 1286664209 URCCCGPNOARQQM-ZWKOTPCHSA-N 439.582 1.440 30 10 IDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1286699997 XANLPELZZGHGTJ-SFHVURJKSA-N 440.552 1.370 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286700521 IVCSTHGRYIRNPS-MOPGFXCFSA-N 443.596 1.718 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286777484 BYIBZJAJSMUSFP-QFIPXVFZSA-N 432.569 1.249 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCOC2)cc1 1286794493 IPOLUVIYFSHGIL-NVXWUHKLSA-N 435.550 1.727 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1ccc(C#N)o1 1288782111 SHCFDOZWFATVOZ-ZDUSSCGKSA-N 430.490 1.743 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1289435960 HJXHZAWLCYCZJI-XGHQBKJUSA-N 433.530 1.692 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1291617464 AAVWFHSNMXQUBK-JKSBSHDWSA-N 425.537 1.925 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1293807666 APDYVFKNXZVHDF-JOCHJYFZSA-N 426.521 1.839 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1298011022 FSHYPMBGFNTYDJ-IBGZPJMESA-N 436.472 1.988 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1298728525 VWCBBGVFVHIVTJ-LJQANCHMSA-N 437.548 1.642 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1COCCO1 1298802720 QNIDBWOEKNADCT-DYVFJYSZSA-N 439.289 1.903 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C1 1299032336 GFYFJJFRTZNPBZ-QFIPXVFZSA-N 426.521 1.852 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300489567 PFERLWOOKUVSPT-LJQANCHMSA-N 439.545 1.333 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300490888 CQBILKANKFOVEQ-JFIYKMOQSA-N 432.550 1.120 30 10 IDEE CC(=O)NCc1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1300632623 AFPHQDWAIGVXRW-AWEZNQCLSA-N 428.514 1.456 30 10 IDEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1300694944 IEQPLDVTUNRTHX-UHFFFAOYSA-N 447.499 1.882 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1300972756 PQNOSUKEXZPUOB-LJQANCHMSA-N 446.596 1.796 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300983073 DFPOMFRPVJPHEG-UHFFFAOYSA-N 435.554 1.236 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1301491319 PNYWUDPEPFGLRO-UHFFFAOYSA-N 437.548 1.947 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCS(C)(=O)=O 1301509179 BLEJZXKMDAUCJI-UHFFFAOYSA-N 430.534 1.064 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301514657 LDMJETPOYNUWPT-NRFANRHFSA-N 430.484 1.261 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c(Br)c(Cl)c2)CC1 1302924147 IOXRCCLVIWHCSG-UHFFFAOYSA-N 438.706 1.467 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOc2ccc(F)cc2)CCO1 1303003277 DSJMNICAPBWXQM-MSOLQXFVSA-N 428.468 1.956 30 10 IDEE CCCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1307055114 OSCRYQINKLQMTG-ZWKOTPCHSA-N 438.536 1.919 30 10 IDEE COC1(OC)CCOC[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1308046250 KBGGXPWLDRAWQF-UZLBHIALSA-N 446.548 1.724 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)OC)c2ccccc2c1=O 1313964370 CFFDJNGRVVYUJJ-HNNXBMFYSA-N 437.504 1.829 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1314138050 HYCBYHDUQDIMQI-VGSWGCGISA-N 444.536 1.600 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1316355640 IIJYNVNWXVGLBY-GOSISDBHSA-N 436.469 1.055 30 10 IDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O 1351079068 BCAFNLYXWZSFAQ-UHFFFAOYSA-N 434.489 1.925 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1358889813 HCIATBKJCIDMBL-IAGOWNOFSA-N 439.582 1.418 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCN1CCCO 1358941156 ZUMXBFYNBMHWPR-INIZCTEOSA-N 435.370 1.962 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358958397 NHUHYZHOZBNKBR-QZTJIDSGSA-N 447.517 1.905 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1CCN(CCN(C)C)CC1 1358997269 LSDCPEQIIGDAFM-UHFFFAOYSA-N 439.608 1.137 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1359024647 RYZCEQZINMXWNS-HNNXBMFYSA-N 436.509 1.462 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1359231557 ZIMPHTRHGYCYDJ-INIZCTEOSA-N 434.566 1.395 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CN(C)C1=O 1359279815 UCVZRXHBMBYQMI-OAQYLSRUSA-N 437.508 1.038 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CCC)C(=O)C1 1359332008 MKKRLMKSMQYVGX-QGZVFWFLSA-N 439.582 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)[C@H](C)C1 1359332010 MLIIQTQLUSCZOP-QZTJIDSGSA-N 441.598 1.277 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1359539653 QNBGTQWOKQAPBV-RBUKOAKNSA-N 439.564 2.000 30 10 IDEE C=CCN(C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)[C@@H]1CCS(=O)(=O)C1 1435070222 XHIWEMLPTACSAX-GFCCVEGCSA-N 429.401 1.235 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC1 1439454919 ORGYZXNCGOORJZ-OAHLLOKOSA-N 447.435 1.835 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1463589503 NFZUBLHWXLYVBI-LJQANCHMSA-N 449.573 1.967 30 10 IDEE CCN1CCN(C(=O)c2ccc(NC(=O)N3CCC(C#N)(C(=O)OC)CC3)cc2)CC1 1465466364 FKVBAOYTWXLSGK-UHFFFAOYSA-N 427.505 1.775 30 10 IDEE CCCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1501040114 FBNHATSXCTWEFW-VKJFTORMSA-N 427.550 1.205 30 10 IDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1502619420 VMUUPYZFFGIXHS-KUHUBIRLSA-N 437.522 1.312 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1503218736 QNQVVTSNIQSHOD-HKBQPEDESA-N 442.589 1.886 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507628050 MVMLAYNTYOMDTN-ZWKOTPCHSA-N 431.562 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1507651608 RQHSTFMWYXLQEB-UHFFFAOYSA-N 434.525 1.315 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1507658973 SUDQOMSPXCIOIZ-LJQANCHMSA-N 435.532 1.378 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1COCCO1 1508015316 QYSCYDRKFQITLH-SFHVURJKSA-N 447.561 1.789 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1508080414 ANSMRETVUOKDQZ-QGZVFWFLSA-N 439.495 1.797 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC[C@@H]2C)C1 1508126586 IFUQUZUFINKYIQ-HAGHYFMRSA-N 435.569 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(OC)CC1 1508132174 VNEKXPYFVKYAPW-HXUWFJFHSA-N 439.582 1.510 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508137994 UQGRBXRBDOOQTR-SFHVURJKSA-N 446.577 1.682 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1508160446 GKUXAPXSSPXNHQ-BBWFWOEESA-N 425.624 1.772 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1512589020 YSIGDXKLCLUTBL-CKFHNAJUSA-N 448.321 1.976 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)C1 1521063497 RXZBNOURYZLKPA-YLJYHZDGSA-N 433.509 1.839 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1539200631 MROCKHPTGWWOBL-CVEARBPZSA-N 437.591 1.036 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539211349 HZGAQSSZWMPVQT-NVXWUHKLSA-N 448.545 1.624 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1539556896 JQRNNBICOWMOGE-GHTZIAJQSA-N 447.536 1.791 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(COC)n2)CC1 1539828661 NFWREVSWENTFGO-ZDUSSCGKSA-N 426.568 1.696 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1539981880 JVHUMIAXBFKUND-MRXNPFEDSA-N 434.570 1.280 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C)C1CC1 1540108653 KVKMNRPIUQVIEV-IRXDYDNUSA-N 439.582 1.581 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCC(=O)N(C)C 1544582081 FOTCFSNZZISOHS-MRXNPFEDSA-N 446.519 1.195 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1548334310 DNAFQOQWLQRNRI-MRXNPFEDSA-N 432.550 1.761 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1554127816 LKSVLRRLKJMNQC-GOSISDBHSA-N 426.521 1.973 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1587562065 KUMOEIQFHKXHBO-DLBZAZTESA-N 445.593 1.698 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1587639303 KWDKVHPZHRJLPU-AEFFLSMTSA-N 432.546 1.712 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1587831694 RMNZOHTUJVBZCE-KRWDZBQOSA-N 447.561 1.894 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1588085109 ZMNMIUFLBFVZLC-CEXWTWQISA-N 448.637 1.718 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2)CC1 1588923551 DKMLGEHNORXWHU-LJQANCHMSA-N 441.580 1.071 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1588930529 YNXCCMVGJPKYAQ-GEQKSPFYSA-N 431.581 1.935 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCC(=O)NC 1589570569 VOVFTPHEKRDGFU-HNAYVOBHSA-N 446.577 1.823 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1593689681 CZERQEXXHQFLOY-JKSUJKDBSA-N 427.571 1.365 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1594783824 JQAMVIRWUZHFSX-JKSUJKDBSA-N 429.587 1.732 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1595465954 BTMCSHWJRPOAOA-GOSISDBHSA-N 437.504 1.168 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1595544528 JNYMKYDSMBGTAG-HOTGVXAUSA-N 434.541 1.435 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595595517 WYRNLFWQASDKFG-IAGOWNOFSA-N 443.460 1.282 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)C1 1595729538 NERPWKSNQSBSQD-MAUKXSAKSA-N 449.533 1.121 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595805333 NJPPSYHEHFJNNR-HNNXBMFYSA-N 435.525 1.276 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1)S(C)(=O)=O 1596869970 UHMPPQBPTJWKKU-GJYPPUQNSA-N 447.561 1.880 30 10 IDEE COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1610918828 UARULZTZRJLJGK-HNNXBMFYSA-N 432.278 1.381 30 10 IDEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1612799896 JTOVPCNGLDPNHW-INIZCTEOSA-N 432.550 1.904 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1\N=CC=CC1=O 1613206387 GAUWWCSZIZOHII-YHTLWOBKSA-N 428.537 1.915 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(C(=O)N(C)C)C(F)(F)F)ccc1F 1617100655 BIRNWGZSMYRVNT-OAHLLOKOSA-N 425.404 1.429 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)C(=O)OC(C)(C)C 1618560491 LHGDHFAUXTYFCM-NRFANRHFSA-N 430.461 1.364 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)C[C@H]1O 1618887969 CDRWRVBEVYRRLQ-SJLPKXTDSA-N 425.489 1.889 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1 1619317401 FSBYWNHZRMZVNE-GQWLDOHISA-N 431.468 1.848 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCn2ncc(I)c2C1 1620610054 HZUXBZAYALTGSW-UHFFFAOYSA-N 446.248 1.603 30 10 IDEE CN1CC[C@H](N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)C1=O 1622285590 CBACWAWRNQVXSG-INIZCTEOSA-N 430.452 1.550 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC 1622605825 RVNALDRMYXBKCN-FPLPWBNLSA-N 436.530 1.608 30 10 IDEE N#Cc1cn(CCC(=O)N[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(=O)nc1O 1623564016 CFFYXOKQLRDBAL-IBGZPJMESA-N 436.390 1.747 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 1623722495 YNYOBERNQSVWII-IXDOHACOSA-N 430.567 1.898 30 10 IDEE CCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1626285677 TYMUTFCEYMDAPW-HGNXGAGXSA-N 444.579 1.546 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)C1 1628332012 DXGQAPDITNUDHG-WOJBJXKFSA-N 430.549 1.474 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1630239943 AFDPNVJNRFAAMY-UHFFFAOYSA-N 448.545 1.850 30 10 IDEE CCO[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1CNC(=O)OC(C)(C)C 1632096822 ZNWWKUPVMKGXJW-FWSWYPJWSA-N 436.509 1.291 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1643547572 HIWWJVPZFPLRFV-FQEVSTJZSA-N 430.549 1.639 30 10 IDEE C[C@H]1CN(Cc2ccc(CN(C)C(=O)Cn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1644183055 XRIWHHXXIPOGBK-IYBDPMFKSA-N 425.489 1.088 30 10 IDEE C=CCOc1c(Cl)cc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC 1656467121 VDEZHJBKKLSNRT-DLBZAZTESA-N 430.954 1.501 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1661899423 BACIYGJHLASTRP-UHFFFAOYSA-N 425.532 1.630 30 10 IDEE Cc1cc(O)nc(N2CC[C@@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)n1 1664188864 DUGYGQGLUNMZNL-CYBMUJFWSA-N 427.408 1.938 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1670882390 NBFFYEUYULECSY-INIZCTEOSA-N 445.582 1.693 30 10 IDEE C#CCN1CCC(NC(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)CC1 1673738877 KRJBEFBQNDIQLC-UHFFFAOYSA-N 445.568 1.571 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1680177949 HUHSLVPITWTIAD-UHFFFAOYSA-N 444.479 1.532 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCC(C#N)(C(=O)OC)CC1)Cc1ccc(OC)c(F)c1 1682261903 BWRSTYULCCVWPH-HNNXBMFYSA-N 434.468 1.227 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)nc1 1684169956 XLHCHWMKEZTJRK-UHFFFAOYSA-N 447.543 1.687 30 10 IDEE C#CCN(C(=O)NCCN(Cc1ccccc1)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1685105707 LFZWWSITCDNXMY-FQEVSTJZSA-N 426.542 1.920 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689994110 RFBRQWYLDFYIGV-LJQANCHMSA-N 447.605 1.696 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCOCC1 1690209480 ZKUBDWXMCGYLPS-OAQYLSRUSA-N 428.562 1.875 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690244237 VFFUGGYENKAUJP-VQIMIIECSA-N 446.577 1.839 30 10 IDEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690459684 YAENGINZEYDLRS-UHFFFAOYSA-N 437.548 1.967 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690497536 SNVUNSYGXCLBDF-HTAPYJJXSA-N 442.520 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1690725402 OSTKYNAJBJMYTC-FQEVSTJZSA-N 435.525 1.311 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1690727189 WNBTZLRVCQDIRI-UHFFFAOYSA-N 445.589 1.723 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1692661428 DKSBYEUJZUHJRF-INIZCTEOSA-N 437.552 1.717 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1692672820 GULHQPZFEHREIT-VFNWGFHPSA-N 428.493 1.234 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(F)cn1 1692762996 DMDJVKKZZCUJJR-CQSZACIVSA-N 443.508 1.979 30 10 IDEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCO1 1693579721 IAUFUBISMOCUAO-IEBWSBKVSA-N 438.532 1.927 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1696461744 LKZMUXUAEOLGAH-VQIMIIECSA-N 447.561 1.882 30 10 IDEE COC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1697092404 HTLSMZFWYJSFCP-QGZVFWFLSA-N 426.525 1.606 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1698170370 KZFBPJLBGYVGGD-UZLBHIALSA-N 427.505 1.852 30 10 IDEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1698185147 VRIVDDTUUQLGDU-ROUUACIJSA-N 440.504 1.340 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705562801 KPMKQCNXZRDFJC-KRWDZBQOSA-N 448.545 1.405 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCOCC2)c1 1705616691 FDBHOOPZLAVDDL-UHFFFAOYSA-N 436.560 1.741 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1705627719 OCMZCDQZVPGNEZ-HXUWFJFHSA-N 433.516 1.608 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)CNC(=O)C2 1705832946 ODYKJTHRZJPFHT-HKUYNNGSSA-N 433.553 1.701 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1705902571 HLNUWEKHIWDDLL-RBUKOAKNSA-N 443.573 1.551 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1705941598 OTGNKDNSFDXHFP-FQEVSTJZSA-N 439.549 1.542 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1707891800 CCYWBVCBQWKBPC-UHFFFAOYSA-N 441.492 1.415 30 10 IDEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 1708243486 ABKKJVYNUJVYJB-QZTJIDSGSA-N 437.548 1.594 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1709819747 CKIRUMYINWCBKD-MRXNPFEDSA-N 439.520 1.656 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(COC)c2)CCOC1 1710482503 GHEOWISYNFYSFY-KNQAVFIVSA-N 427.505 1.854 30 10 IDEE CO[C@@H](CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1711533307 OQQDENFKIZKAMQ-ZBFHGGJFSA-N 436.442 1.879 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1722304468 XVARWVSCEPBYKY-IRXDYDNUSA-N 429.496 1.949 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722332407 KLBNHIGHYYORKH-INIZCTEOSA-N 436.582 1.224 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722341924 GUPLPSYWYHKLLA-CABCVRRESA-N 442.586 1.507 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722369197 ZLTRHBJWDAEVCH-MJGOQNOKSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1722381740 AZWCZOKNGHLTCX-LJQANCHMSA-N 434.525 1.487 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1722387325 DLROLRJZQKYJPJ-JKSBSHDWSA-N 429.521 1.273 30 10 IDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1722415163 OFJOBCJFDDZFAH-UHFFFAOYSA-N 441.557 1.680 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2nccnc2C)CC1 1722446388 USYIWIRCHYDRSI-UHFFFAOYSA-N 430.516 1.647 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722504937 IMEWAYXBKDQUHJ-CIWUYKSXSA-N 429.521 1.625 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCCN(CC)CC)CC1 1722565865 DNHAIESFPCVNIX-SFHVURJKSA-N 425.599 1.695 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1)C1CC1 1722650793 LATNUQYZKMDEPV-NVXWUHKLSA-N 425.555 1.192 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1722690268 CXKFQWYGADOWQN-QFIPXVFZSA-N 432.569 1.251 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](OCCOC)C1 1722695963 WNJQFMQBINQZFL-MRXNPFEDSA-N 434.928 1.928 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](OC)C1 1722699072 RADUJPULIIMMPQ-GOSISDBHSA-N 440.552 1.370 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722700308 DVSBIFABFHTNAF-UHFFFAOYSA-N 425.537 1.261 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1722711542 FYSFQPWXSPRHMR-ICSRJNTNSA-N 427.553 1.873 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCSC2)nnc1[C@]1(OC(C)C)CCOC1 1722731532 NAZWNYSHXVKXML-LPHOPBHVSA-N 444.623 1.861 30 10 IDEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1727237894 BMYUOXDXINMFEI-QGZVFWFLSA-N 426.525 1.435 30 10 IDEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCOCC1 1730510051 BIYAPRPTMOCRKX-HNNXBMFYSA-N 440.570 1.071 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCOC1 1730750814 ROCTVTWLODJTOE-NZQKXSOJSA-N 441.532 1.848 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCO1 1730844821 LJLKMIGSJQYQCX-RHSMWYFYSA-N 428.493 1.716 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)F)c1 1730995135 KCIDKAUKLFKNEW-AWEZNQCLSA-N 441.460 1.707 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1740554216 XKOAHUXHQDHVER-PXNSSMCTSA-N 438.557 1.931 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1740592422 XKTXXHMPONROGG-ZWKOTPCHSA-N 443.552 1.998 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740592737 GCTWBZWORWPGFH-FQEVSTJZSA-N 435.576 1.810 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOCC1 1740598986 LYOZASSUQQIVBR-UHFFFAOYSA-N 430.940 1.653 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1740615847 MIXAIPLHVMXQIL-CVEARBPZSA-N 439.607 1.329 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740624120 COBWFBQBNJIFAW-HBFSDRIKSA-N 443.573 1.563 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740624147 GHRYXYGZLPHXJP-MSOLQXFVSA-N 434.587 1.982 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740624184 DHSTZVSYHRWRMS-LJQANCHMSA-N 439.545 1.155 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1740634323 KZOCHLWKOMSMEP-INIZCTEOSA-N 426.498 1.224 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1740639825 FZFPGMQDBZFHMJ-MSOLQXFVSA-N 426.546 1.336 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1740653312 IMPJUYRHTRPLKZ-OAQYLSRUSA-N 432.528 1.577 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1740653741 WYFFEWSQZPYJNR-SFHVURJKSA-N 438.532 1.437 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCc2ccccc21 1740688088 MIRNCZAGOZONSZ-IBGZPJMESA-N 436.560 1.938 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1740726099 XYUDGWJAGBGBHC-JLTOFOAXSA-N 448.524 1.658 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](OC)C1 1740750620 DQNTXODAYSERIE-AVEIZBFRSA-N 441.598 1.731 30 10 IDEE C=C(C)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1740786176 SEAHARMRJXCRHJ-QGZVFWFLSA-N 435.554 1.927 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1740891022 OXLHAWFMNMIQNQ-KRWDZBQOSA-N 448.593 1.391 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741985538 RTVGELDRLHUEFO-LSGABVIPSA-N 432.488 1.997 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1748671933 OKHQBBGITOESBB-QAPCUYQASA-N 435.525 1.451 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)no2)c1 1748693140 YTDWKECVLNNEBQ-GOSISDBHSA-N 433.472 1.630 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1748859046 BHEMTWMSVNAYNS-UHFFFAOYSA-N 435.406 1.617 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1748906060 OPNCJMMKQRBUOS-LBPRGKRZSA-N 430.456 1.810 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1748962123 AKPJCRAFOYIIRU-GCJKJVERSA-N 444.557 1.100 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749039048 OZCNREPHLYVJLC-HZPDHXFCSA-N 432.550 1.359 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1 1749053350 HBPHRHXAJZIQTI-YCRPNKLZSA-N 444.561 1.288 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1749193718 MYNUNOHAFZTALE-LBPRGKRZSA-N 430.456 1.992 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)[C@@H](C)CCC)CC1 1749286947 VTVGMSYVMFFPAB-HOTGVXAUSA-N 426.587 1.597 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCOC1 1749650679 FHGBAXJIJNYJAO-MRXNPFEDSA-N 432.912 1.389 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749663411 DEGZBANJDNYVDL-GOSISDBHSA-N 438.536 1.225 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1749680824 SEQDPAODBXKEGX-OAHLLOKOSA-N 431.493 1.188 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749739576 GTNRDKKJSLTSSB-MRXNPFEDSA-N 428.555 1.190 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749756162 UAKQTCILFSUUPM-JKSUJKDBSA-N 434.566 1.564 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)c1ccccc1 1750005659 CQABKBAGXLSPBW-IAGOWNOFSA-N 449.533 1.205 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C1CC1 1751125510 HXWTTZKFNLJSJE-BEFAXECRSA-N 428.562 1.923 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)c1 1751407370 PAPIIOHCFMJHMU-FQEVSTJZSA-N 428.537 1.781 30 10 IDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1751922352 AAWNCYNJRJSQQW-GOSISDBHSA-N 443.577 1.456 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1760210943 XPVVALSGUWEPKT-UHFFFAOYSA-N 441.919 1.832 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F 1760273194 KZFVIBDZHFUYPL-UHFFFAOYSA-N 438.508 1.374 30 10 IDEE C=C(C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760349620 SONJLUKZFHLSOH-LJQANCHMSA-N 427.571 1.413 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOCCCO)CC1 1760384371 UYAQUMTULDXNTK-UHFFFAOYSA-N 449.577 1.751 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC1CC1 1760457394 QHSJFMWNQHJGKE-UHFFFAOYSA-N 432.550 1.344 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760526735 GKPMIUSGNPINFV-OAQYLSRUSA-N 443.640 1.918 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(F)cc3C2)nnc1[C@]1(OCC)CCOC1 1760528430 BVUZQAREQIEOQO-QFIPXVFZSA-N 429.496 1.934 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1Cc1ccc(C#N)o1 1762250795 GEMMACDCJUCYNY-OAQYLSRUSA-N 425.493 1.426 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1769127893 JBGKQPCVVOWIDD-BVZALQNUSA-N 438.532 1.973 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H](C)O1 1769490518 DXOOTPCPXRQTPN-CHOVKTHHSA-N 427.505 1.597 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](COC)C2)CC1=O 1771126482 FOVUUPSRLCDRFW-MOPGFXCFSA-N 438.532 1.784 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1771222933 OIWPPSRZXKKVEO-QWZAPTKDSA-N 447.561 1.658 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1772566539 DMBQSHFNQAOVKV-LJQANCHMSA-N 437.548 1.475 30 10 IDEE O=C(NCC#CCN1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1850100621 YPVWQOQYHSEGQX-MRXNPFEDSA-N 438.516 1.091 30 10 IDEE CC(C)(C)[C@H](C(=O)Nc1ccc(C#N)nc1Br)N1CCS(=O)(=O)CC1 1851747313 AJAXFMBQOXMEFJ-ZDUSSCGKSA-N 429.340 1.799 30 10 IDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)C1CCN(S(=O)(=O)C2CC2)CC1 1851775425 GPJMFMQAHHGDMN-GFCCVEGCSA-N 425.942 1.825 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3nc4nccnc4cc3Br)CC2)n1 1851789631 UAJKYIJOPFAJRV-UHFFFAOYSA-N 425.250 1.411 30 10 IDEE N#Cc1c(NC(=O)Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)nc2n1CCCC2 1852336746 NXGDDDMNUBHDFV-UHFFFAOYSA-N 447.377 1.976 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4C3)C(=O)C2)cc1 1854038540 VTNIRGFSNIXAPT-QGZVFWFLSA-N 425.466 1.169 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)C(=O)C23CCCCC3)cc1 1856300099 ZCZMKHFQYWIDMZ-GOSISDBHSA-N 431.514 1.800 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(C)c(Cl)cc3C)C2)CC1=O 1856774819 WCGUDUPUYGAYIG-GJZGRUSLSA-N 442.921 1.839 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)[C@@H]4CCCS4)C3)CC2)CC1 1857127594 SSJROGJSUBZXSR-MJGOQNOKSA-N 432.590 1.731 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(C)=O)c2)cc1 1858965509 VDHUNDUWZMLLIE-UHFFFAOYSA-N 429.454 1.623 30 10 IDEE CCOc1cc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1OC 1860735434 SDNJUVAOMFRYHK-UXBLZVDNSA-N 432.498 1.683 30 10 IDEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155531 RINHLCYLOJAUOH-UHFFFAOYSA-N 435.331 1.421 30 10 IDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873561290 JORSBTTZOWRXSK-UHFFFAOYSA-N 436.491 1.900 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)CC1 1889301581 WDOOLRYEOSXETL-UHFFFAOYSA-N 441.498 1.701 30 10 IDEE COc1cccc2c1OC[C@@H](C(=O)N1CCC(OCC#CCN3CCN(C)CC3)CC1)C2 1889438983 RIDLRPATHQMOPA-NRFANRHFSA-N 441.572 1.505 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1891574438 QZWYTCGHQXZPHA-WBVHZDCISA-N 449.467 1.542 30 10 IDEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1891578599 XFUUICIPBXVSLW-HXUWFJFHSA-N 431.492 1.946 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1984990672 NMWBCOOAZXVKGM-XHSDSOJGSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2020787856 ZUDQBPBIHNOMJE-QVKFZJNVSA-N 438.525 1.720 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2131507153 FLZMKUMKHPBKCX-QGZVFWFLSA-N 448.369 1.778 30 10 IDEE CC(C)(C)OC(=O)NCc1n[nH]c(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)n1 2255626458 GJKPKSCBCOALAA-UHFFFAOYSA-N 433.278 1.104 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629539 XFXDBHBNRZDMQX-NFAWXSAZSA-N 432.330 1.837 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255632419 MSZSCZMXEMVKPZ-LLVKDONJSA-N 430.236 1.382 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2255665390 FQSOLAAIVNEFAH-GJZGRUSLSA-N 436.314 1.679 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)OC(C)(C)C 2255709427 WIELOSXAYABANU-CQSZACIVSA-N 438.330 1.879 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2255829554 QYESSWCBPUBQNT-UHFFFAOYSA-N 426.322 1.864 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255843751 LLHUDKIBVFCLQZ-OAHLLOKOSA-N 430.314 1.681 30 10 IDEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)n1 2255857501 IZOAVHLEMZXREK-UHFFFAOYSA-N 432.286 1.458 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2256928278 JPBXLWOVUKEQGT-INIZCTEOSA-N 445.350 1.757 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCOc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C(=O)C1 2265851477 KRUITVCTKTVJBF-UHFFFAOYSA-N 447.341 1.839 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267126065 JJPAHVSXSGQKQP-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cn1nc(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)cc1B1OC(C)(C)C(C)(C)O1 2267126078 JOCTYVRNIPQNSD-UHFFFAOYSA-N 448.289 1.379 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178084 XITXEQDMUUGAEH-RCDICMHDSA-N 446.357 1.849 30 10 IDEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267505662 LVHQFCMCGHMADX-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268640757 YUZYFFWOIJXUGH-INIZCTEOSA-N 446.357 1.870 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)CCN(Cc2ccccc2)C1 2319991946 XZXYVOXVFFYMDG-DCLXLUIPSA-N 439.560 1.964 30 10 IDEE CCOc1ccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 2325717763 FWTSKKGKPQSYCF-UHFFFAOYSA-N 432.498 1.683 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)c(O)c1 2330749909 FEEBZCPNHOXJCZ-UHFFFAOYSA-N 444.473 1.209 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337303215 FENSALGKZMGDMS-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1 20827544 NHIHLUSMFBZQDR-DNTJNYDQSA-N 429.510 1.955 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)ccc2c1=O 23315732 HTDMRGSCZAQFDH-INIZCTEOSA-N 442.541 1.582 30 10 IDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 27902264 GBWRYZZRFRTKOY-INIZCTEOSA-N 437.382 1.716 30 10 IDEE Cc1cc(C(=O)CN2CCN(c3ncccc3C#N)CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 96993239 ITPXSVQTUXIAIX-LJQANCHMSA-N 441.557 1.736 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)CC1 105264495 WNAHPZCSRKUSPQ-OALUTQOASA-N 426.561 1.999 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)NCc2ccc(I)cc2Cl)CCO1 410416882 IFRBBQKDTAPBNV-NSHDSACASA-N 441.678 1.503 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447279189 QPONNFSUNPPNCK-UHFFFAOYSA-N 428.464 1.595 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC[C@H]1COc2ccccc2O1 460716283 NEHQJDYVZGUUQM-INIZCTEOSA-N 432.440 1.732 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478741513 CEXYRQHAIISMAQ-OALUTQOASA-N 438.549 1.896 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(F)c1 480719969 ZBWXGXBQXKEEIF-PMACEKPBSA-N 442.516 1.716 30 10 IDEE COc1cccc(NC(=O)COc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)c1 503628177 YESLHPGXCCCJMC-UHFFFAOYSA-N 436.468 1.911 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C#N 505699010 FRXCFINCUWZWOV-CQSZACIVSA-N 431.521 1.931 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 512718246 KSWCWNBVSLEKRG-UHFFFAOYSA-N 442.541 1.547 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)oc3ccccc23)c(=O)n1C[C@H]1CCCO1 534881928 JKXQSSDDIBGNCC-GFCCVEGCSA-N 443.912 1.737 30 10 IDEE Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(-c3ccccc3C#N)cc1)c(=O)n2C 536885960 MIABLAYLWLOEKA-UHFFFAOYSA-N 428.452 1.289 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCOC1 541082839 MGOQTFSAGPSEIL-GFCCVEGCSA-N 445.522 1.788 30 10 IDEE CN1CCN(C(=O)c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)CC1 544840442 TVDIDHQCGOGBDC-UHFFFAOYSA-N 447.543 1.373 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)CC2)n1 544877876 WTYMMCMOJIBLAH-UHFFFAOYSA-N 438.576 1.716 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCO2)CC1 550038982 SDIQXDVDCNVBRG-IBGZPJMESA-N 444.605 1.924 30 10 IDEE N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)c1 574934895 LWZCEBPJZFYBNJ-OAQYLSRUSA-N 432.480 1.850 30 10 IDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)C1 586859160 UOEIYJAHWVPWKS-QFBILLFUSA-N 443.523 1.153 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c(F)c1 614611459 CNKPCTDVGSBIJK-UHFFFAOYSA-N 428.395 1.564 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H]2CCCO2)C1 619853343 GZVJTYGFFYIZKT-AUUYWEPGSA-N 433.513 1.859 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669806762 UQSUJTPFZOYIPY-OXJNMPFZSA-N 426.569 1.315 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 727121263 WDOHLPJQVWAIOC-HXUWFJFHSA-N 442.560 1.795 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccc(C)n2)cn1 730143719 DBJFESVASLFPRM-SFHVURJKSA-N 443.577 1.806 30 10 IDEE COC(=O)[C@@H](OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(C#N)cc1 740205165 SRHDRNJKDRYJAG-NRFANRHFSA-N 433.420 1.387 30 10 IDEE CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C1CCC[C@H]1S(C)(=O)=O 741451383 NWBAJUFEAWQIHQ-OAHLLOKOSA-N 432.524 1.990 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cncc3ccccc23)c1=O 758050542 QGKXWUHNRXHYDB-UHFFFAOYSA-N 446.532 1.137 30 10 IDEE Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1NC(=O)c1cccs1 759332042 BWOONYPXKYDZMX-OAHLLOKOSA-N 445.522 1.888 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@H]1CCCO1 761837560 ZDWVEHHQILEZED-CQSZACIVSA-N 444.582 1.450 30 10 IDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)s1 765146016 QYGKDCFAVRLESI-UHFFFAOYSA-N 426.523 1.892 30 10 IDEE N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 766871543 ASZPRZQKPOKCLB-QZTJIDSGSA-N 447.513 1.001 30 10 IDEE C#CCN(C(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774170146 DWWCSYHNSAROOU-MAUKXSAKSA-N 433.530 1.237 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 778045424 PENMJVTYUPTAPU-YJBOKZPZSA-N 435.546 1.973 30 10 IDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 787057053 SONXNLOFCTZXBE-FUHWJXTLSA-N 427.461 1.848 30 10 IDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1c(Br)cnn1C 789969187 UYPNTFDUIUITID-JTQLQIEISA-N 439.343 1.659 30 10 IDEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1 807929058 RJWJQFFIPFENMO-QGZVFWFLSA-N 443.577 1.632 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 809890029 RUGRRMWQGPKTLK-OAHLLOKOSA-N 430.513 1.693 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 814612067 DHBLGLORDDXFHK-UHFFFAOYSA-N 444.494 1.181 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)s1 917799514 OAUBLIIRPGGPEJ-UHFFFAOYSA-N 449.561 1.811 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 918986709 RSJBVCVWGBIMQY-QZTJIDSGSA-N 435.502 1.205 30 10 IDEE CNC(=O)CCSc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1083907731 ZDQORORHHLNOOI-UHFFFAOYSA-N 430.494 1.721 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1 1154958119 AGXKNCLYAGKFAH-IAGOWNOFSA-N 439.603 1.501 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1157817856 JTJAUJBWENKUTE-ZACQAIPSSA-N 425.407 1.666 30 10 IDEE C#CC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 1167531345 MINHYUKDXBUQLX-IBGZPJMESA-N 448.585 1.504 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2cc(Cl)ccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1178342935 AXOGYJNFERKEQK-AWEZNQCLSA-N 447.948 1.901 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 1188725942 MNCBFJSXMKUVJE-UHFFFAOYSA-N 429.234 1.222 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1286296096 LODHVINYMCYNRQ-AVRDEDQJSA-N 426.590 1.930 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1C 1286396801 IEDCOBXGSKHUCH-ROUUACIJSA-N 429.546 1.737 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CCC1 1286410729 VWCIYICBUANTFN-GOSISDBHSA-N 433.578 1.654 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1286446104 DNEJOVXQBWZZOH-GOSISDBHSA-N 439.582 1.420 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCCC)CC1 1286477262 UNVINFNYOWAMFQ-UHFFFAOYSA-N 432.532 1.412 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1286517984 XOCUXOUWZZPSSV-TWOQFEAHSA-N 434.566 1.776 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286536324 KUKPFHKEAGZRQN-ZDUSSCGKSA-N 449.313 1.060 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)NC(C)C)C1 1286810366 QAMMHBMATSJJOW-DLBZAZTESA-N 427.571 1.629 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1296087295 DPAJDCQQGZVPOO-WOJBJXKFSA-N 437.548 1.642 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 1297515899 CNCUHVOZNIZRMU-UHFFFAOYSA-N 431.290 1.611 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300409013 DYILPRARJPXTDS-KRWDZBQOSA-N 436.582 1.177 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1-c1ccccc1 1300471470 CPSXQDORRXBMCE-UHFFFAOYSA-N 432.513 1.968 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300499577 VFMJLNPZJZSJPV-LJQANCHMSA-N 443.573 1.445 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1300511977 DSMWBALUTORMSH-QZTJIDSGSA-N 426.521 1.651 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCOCC2)CC1 1301130231 SXOXPFNUOZCWAX-UHFFFAOYSA-N 427.553 1.791 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301196705 IFIUCJKHPCOMLL-UHFFFAOYSA-N 438.536 1.292 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1301425899 ZPIZBLTXCNWCFL-SFHVURJKSA-N 444.561 1.938 30 10 IDEE COCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302225577 VNKQJIRFHUKBJH-UHFFFAOYSA-N 436.520 1.540 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OCC 1309506815 HZQOGDFZBKYQCX-LBPRGKRZSA-N 425.429 1.493 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1314814263 CMBQIGODCWQMQK-KRWDZBQOSA-N 445.545 1.229 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCN1CCCO 1316281346 LCZABYQHRKSOIO-UFYCRDLUSA-N 432.569 1.589 30 10 IDEE C#CCN(C(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1)[C@H]1CCS(=O)(=O)C1 1324855956 GNMMRWQKUNOGFN-KRWDZBQOSA-N 430.486 1.703 30 10 IDEE O=C(N[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1)c1ccccc1 1354263940 PUDLOVVXMKGJNX-INIZCTEOSA-N 426.498 1.146 30 10 IDEE COCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1354712707 FSDZPYAEVCYZFT-MRXNPFEDSA-N 432.908 1.566 30 10 IDEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1358418891 FKYRYJKPTQMTCR-MRXNPFEDSA-N 442.520 1.070 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC(OC)CC1 1358967684 PZXRQIKKFAFDGS-UHFFFAOYSA-N 426.565 1.476 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1359037396 HVSSVHRMHJSSNE-JOCHJYFZSA-N 437.592 1.376 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1359076802 MTHWLWWOJBDTPA-UONOGXRCSA-N 447.403 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359331984 LSKYYXIDHHZAHH-GOSISDBHSA-N 437.610 1.695 30 10 IDEE CN1CCN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1(C)C 1448376448 XZJULEFNJFJOLD-OTQYULQBSA-N 433.597 1.915 30 10 IDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1469229685 DMJNDIVJKQWKEF-UHFFFAOYSA-N 445.497 1.790 30 10 IDEE Cn1nccc1[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OC(C)(C)C 1469768811 BXBTYFCTGUYVFL-INIZCTEOSA-N 436.465 1.669 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)[C@H]3CN(C)CCN3C)c(C#N)c2N)cc1 1471602833 SYQFKGNZDVEFRD-LAUBAEHRSA-N 438.580 1.501 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1501432478 RURWYPKNQIAQFD-UHFFFAOYSA-N 441.536 1.558 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503542489 LTORECFMNXLVNB-HYLQGWQCSA-N 430.509 1.314 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)NCCC)CC1 1507727584 QLTMEFWNVGUSSL-UHFFFAOYSA-N 433.560 1.953 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NC(C)C)CC1 1507740760 YSUYGLRKNHAIBX-UHFFFAOYSA-N 436.560 1.554 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1508144000 MCNLFCGWPIKJAU-GOSISDBHSA-N 446.577 1.360 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@@](C)=O)CC1 1509215909 ZSIGSHNJLCSAFZ-SSEXGKCCSA-N 427.578 1.981 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1518517256 BITUIQZJEYDIHI-INIZCTEOSA-N 442.520 1.757 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1519451936 ZFXSVDUVUBJPFI-LNLFQRSKSA-N 427.509 1.240 30 10 IDEE COC(=O)c1ccn(CCCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 1527274608 UFPXLTFVSOQCNJ-PTGBLXJZSA-N 447.517 1.901 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(C[C@H]3CCCO3)c3ccnnc3)C2=O)cc1 1530976041 QDLMGSXBWCIXAG-RTBURBONSA-N 434.456 1.765 30 10 IDEE C#Cc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)c1 1536110330 UZGWGEUCNGIQTD-QGZVFWFLSA-N 430.482 1.907 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539219340 IYTBHISMLBMWTM-HXUWFJFHSA-N 445.564 1.731 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1539430785 OEDNNRVJRCTFQG-MZKRTTBSSA-N 431.581 1.747 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)O)CC1 1539447380 RICLTZTXTGMZCF-UHFFFAOYSA-N 446.596 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([S@](C)=O)CC2)CC1 1539480951 HDWOSQZXMDAKKM-ZOKDDAQRSA-N 433.578 1.397 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539976663 CCAZCIVYJBDVEX-UHFFFAOYSA-N 441.536 1.924 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1540868363 BMRSVKRYNAGQMW-OAHLLOKOSA-N 442.524 1.388 30 10 IDEE CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978548 RZVGNCZSCUJXNP-FXBHHXAOSA-N 430.461 1.757 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1O 1554546143 SFIZCRHMOUAFEL-LEWJJULVSA-N 439.516 1.728 30 10 IDEE COCCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1555484190 RGNCOMZJSLLVQG-UHFFFAOYSA-N 426.569 1.963 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1555989757 DZAAXORHOFTPKD-KRWDZBQOSA-N 425.468 1.736 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)NCc2ccc(C(=O)NO)cc2)CC1 1556382004 PYFHZEIXXZYUSR-UHFFFAOYSA-N 444.492 1.899 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)s1 1556883017 HYYFSGRBFGAPEA-HYVNUMGLSA-N 425.576 1.518 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 1557044975 ZUZRVOSGLFPWBI-UHFFFAOYSA-N 441.553 1.616 30 10 IDEE COc1ccnc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1F 1557537679 FOIXAIAKPOQAQH-CQSZACIVSA-N 434.493 1.999 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)C#Cc3ccc4c(c3)OCO4)CC2=O)C1 1558694227 LVAJZPHSJGHEKR-OAHLLOKOSA-N 427.457 1.103 30 10 IDEE C#CCC1(O)CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1560098798 SKADZFLYZZGRHY-GOSISDBHSA-N 449.573 1.193 30 10 IDEE COc1ccc2nc([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 1567878840 BVKGNJCJTVLQMO-OLZOCXBDSA-N 427.486 1.987 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)ccc1F 1583629690 ORXAFDPLNGJJIV-UHFFFAOYSA-N 432.539 1.623 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1588049152 AWGHVLBCAVLDTH-FQEVSTJZSA-N 438.557 1.970 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588064799 PHGSAPGXBQPDIK-QUCCMNQESA-N 442.589 1.375 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1N1CCOCC1 1588120704 RWPMKIWTXPTSTO-UHFFFAOYSA-N 429.528 1.945 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1588170436 GQTQUSSZHZRVHZ-HYFFOGBASA-N 445.589 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1588181531 WLQYGCDKYDFUBW-MRXNPFEDSA-N 432.550 1.648 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2nccs2)CC1 1588885669 YGXPARIQMSOQPD-HNNXBMFYSA-N 443.577 1.642 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589404098 HBBUHUTWRVRRQB-HUUCEWRRSA-N 428.331 1.770 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1nncn1C 1589442917 GASWDJQKNSLICS-ZDUSSCGKSA-N 435.330 1.779 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1593769159 LUUGKWQLYUPTJP-GCJKJVERSA-N 433.553 1.722 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1595218334 IETMYBBSFVZFSO-KRWDZBQOSA-N 448.549 1.241 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(N)=O)C1 1595490303 PFKXZGMZRBFTRT-INIZCTEOSA-N 434.504 1.339 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCn2nc(C)nc2C1 1595556104 NYHARZXUZSCQOF-UHFFFAOYSA-N 428.447 1.369 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1596830761 DZOPKZOWQZHAPR-OAHLLOKOSA-N 432.475 1.992 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)ccc1F 1603411648 UMGBXKZAJBVBQL-AWEZNQCLSA-N 436.465 1.538 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1606966184 FBTHEJDYUTXJRZ-WVDZOPJMSA-N 441.623 1.857 30 10 IDEE C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1612962460 BMOSDORNJQMJOX-DNTCVELPSA-N 439.545 1.732 30 10 IDEE O=C([C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@@H]12)N1CCOCC1 1614389082 SOZXAFBBXYMNSJ-YXMSTPNBSA-N 445.463 1.367 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(=O)N(CC)CC 1616825217 ARNSJXDREWXBBI-UHFFFAOYSA-N 441.536 1.998 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)cc1[N+](=O)[O-] 1618201720 HHPSMORLOBNKGD-UHFFFAOYSA-N 435.483 1.550 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1618879067 FKESSEIWMGQDQJ-QBNCKDSPSA-N 442.520 1.537 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1619770544 IAUNEXZMEJHDIL-HTAPYJJXSA-N 426.521 1.696 30 10 IDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1624062255 NRDCUWLKYWPFHL-UHFFFAOYSA-N 448.545 1.839 30 10 IDEE C[C@]1(C(=O)N[C@H](C#N)CO)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1624090585 HZQDYBLIWLEOJK-JRLRZGBRSA-N 435.480 1.761 30 10 IDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1624590154 JDADZJIAWQYRRW-UHFFFAOYSA-N 427.523 1.024 30 10 IDEE N#C[C@]12CN(C(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1627136759 OPVAPIVNDDYVQK-MGPLVRAMSA-N 443.382 1.436 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 1628787222 UEUWVTLCNHYCEB-UHFFFAOYSA-N 447.542 1.332 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)NCC(C)C)s1 1629007015 DVGSDUDLSPTEEW-AWEZNQCLSA-N 431.605 1.429 30 10 IDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 1629885376 VXPCBZSMQHRRKP-OALUTQOASA-N 447.451 1.610 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(N2CCNC2=O)cc1 1630740559 DXMSZSDOXUTYMG-HUUCEWRRSA-N 441.513 1.632 30 10 IDEE Cc1c(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1631330390 BIURGGAVQLCNDX-KRWDZBQOSA-N 432.484 1.163 30 10 IDEE COc1ccc(C(=O)NCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1[N+](=O)[O-] 1632328819 WFDOJUFRZAVQJC-UHFFFAOYSA-N 441.419 1.693 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[S@@](=O)C[C@@H]3c3cnn(C)c3)n[nH]2)c1C 1632819038 IYUXXHWWZJMMTC-VPTFNQTCSA-N 427.534 1.755 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)C1 1632871892 NWAMGPFTTNMJJJ-SJORKVTESA-N 433.306 1.263 30 10 IDEE N#C[C@@]12CN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)C[C@H]1CS(=O)(=O)C2 1635692641 JPJSHYQQSLZPMK-GTNSWQLSSA-N 436.540 1.396 30 10 IDEE COCCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1637302037 PCDGFKBHTLHVAL-KBPBESRZSA-N 429.926 1.750 30 10 IDEE C#CCN(CC(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1)C(=O)OC(C)(C)C 1639623226 YCGBOPOXVQSUNM-UHFFFAOYSA-N 435.546 1.910 30 10 IDEE Cc1nc(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)n[nH]1 1639623560 LZUKMOPPUBSVLS-UHFFFAOYSA-N 430.310 1.532 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](n3ccnn3)CC2)CC1 1643996285 UCUUOPPUVDRTAF-LEWJYISDSA-N 425.512 1.853 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CCN(C)CC1 1645259777 XDMODLMPAQPASU-UHFFFAOYSA-N 433.452 1.420 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)s1 1645855388 JREJEHSTDTZKDH-JSGCOSHPSA-N 448.526 1.484 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1650672486 LXSYOJBDLADEPP-OALUTQOASA-N 426.517 1.905 30 10 IDEE CN1CC[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)[C@H](c2cnn(C)c2)C1 1651223772 UOELBHSRHVMEPM-OALUTQOASA-N 425.489 1.360 30 10 IDEE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc2c(c(C#N)c1=O)CCCC2 1652860802 BHADDUQDFYMNKT-OAQYLSRUSA-N 432.480 1.981 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)c1 1653499897 MUGZLXFYAABYEF-JTQLQIEISA-N 439.856 1.281 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCCCc3ccccc32)c1 1654839842 SVTZECYYVMPWKS-UHFFFAOYSA-N 426.498 1.322 30 10 IDEE CN1CCN(C(=O)CN2CCC(N(C)c3cc(C#N)c(Br)cn3)CC2)CC1 1655107477 UPXPRRGCAJBMIO-UHFFFAOYSA-N 435.370 1.390 30 10 IDEE C=CCOc1ccccc1CN(C(=O)Cn1cc(C(N)=O)nn1)c1ccc2c(c1)OCO2 1656403290 QXXJWVCULVKEKL-UHFFFAOYSA-N 435.440 1.904 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1666229743 JEHXVNWRJJAZFD-RTBURBONSA-N 438.546 1.755 30 10 IDEE C#CCN(C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCN(C)CC1 1668117457 QATVNRZUYAKKLH-UHFFFAOYSA-N 431.968 1.728 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CCO2)cc1 1684706546 XDHZIGQONMEGEV-HXUWFJFHSA-N 433.468 1.893 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCS(C)(=O)=O 1690008677 MDXNQAWILZCPCM-UHFFFAOYSA-N 439.310 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F 1690036777 AQPMCWDQASLCQA-UHFFFAOYSA-N 449.483 1.193 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(=O)N(C)Cc2ccccc2)CC1 1690128810 KHOOIFJCMIDYHE-UHFFFAOYSA-N 443.555 1.678 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)CC1 1690132697 WYWGBARIDQGZDI-UHFFFAOYSA-N 435.557 1.663 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cncn2)C1 1690218371 DEWZBEUPSUHLDY-AWEZNQCLSA-N 435.330 1.856 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1690254903 KWWKFIFCUVLYDS-GREBRCKQSA-N 447.580 1.970 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1690328008 CKZBGZLTMCKTKF-CQSZACIVSA-N 443.961 1.259 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1690615844 URIFLMKWXJBQRN-QGZVFWFLSA-N 446.462 1.984 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690673601 YHGPWBOSGICQBJ-UHFFFAOYSA-N 441.536 1.481 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCn1cnnn1 1691099491 YLKUKTTZMCDTID-UHFFFAOYSA-N 438.515 1.990 30 10 IDEE CC(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692136459 BTJXZDNAUBGKAF-VXPUYCOJSA-N 429.525 1.095 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCNC(=O)c1cc[nH]n1 1696689040 CWAAROYMXIPXRJ-UHFFFAOYSA-N 441.499 1.925 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C(C)C)N1CCCC1 1698254223 IVBXRSVWXBPYBL-NMLBUPMWSA-N 432.569 1.851 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1698302260 GXPUFOKWLJFZRT-GOSISDBHSA-N 428.518 1.760 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1698494020 DPGIIIINDIYEAW-SFHVURJKSA-N 432.488 1.935 30 10 IDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705526862 QYISHTOEZWWHFI-SFHVURJKSA-N 443.504 1.336 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)c(OC)c1 1705541736 QABMKEDYILCGSS-OAHLLOKOSA-N 449.577 1.953 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705563777 FDSFQWGJRJMTQE-GOSISDBHSA-N 439.545 1.333 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1705598307 GSMUIMUYABNHAP-ROUUACIJSA-N 426.546 1.102 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1705607164 SJEYIVSKLHFDLW-QFIPXVFZSA-N 429.521 1.497 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@@H]1OC 1705623672 ZTHGLDRDMVIPKX-HKUYNNGSSA-N 429.477 1.991 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)C)CC1 1705646219 UQWVHLQZTPLFGJ-UHFFFAOYSA-N 428.924 1.653 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1705649454 YEHOGFVLLWAOMN-UYAOXDASSA-N 437.548 1.626 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705658815 BQTYPXKJFNLMQC-HXUWFJFHSA-N 430.534 1.335 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705665864 GIQDRKRGJYMCJH-SFHVURJKSA-N 429.546 1.483 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1705734624 VWMCDZBHVRZTGR-UHFFFAOYSA-N 433.520 1.865 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705819940 XJSCABVCALJFPJ-JKSUJKDBSA-N 430.596 1.550 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705828373 LQHXHWYLCMGVKW-NRFANRHFSA-N 440.508 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705932564 GWEJMBYYEHFVEZ-MRXNPFEDSA-N 438.575 1.478 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706153490 PLPIFBKXQBEIKG-CQSZACIVSA-N 439.520 1.622 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCS(C)(=O)=O 1706315574 DPIUKHNWITYUDV-OAHLLOKOSA-N 432.554 1.213 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709902901 DFRCMUPUXFINQH-MRXNPFEDSA-N 446.519 1.195 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1712304722 RUTHWADQTIKENO-SZVBFZGTSA-N 440.504 1.247 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1CC 1722349970 HWHZASBUZXQWOK-UHFFFAOYSA-N 431.504 1.965 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722362370 APRLDAKULCMZEZ-SFTDATJTSA-N 443.573 1.287 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1722382646 JBGGGWZKTUSBGZ-SFHVURJKSA-N 427.530 1.484 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1722387284 JBTXTFHILUGNND-UHFFFAOYSA-N 448.575 1.414 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722702413 JORYZBOPDJYHCV-KCYZZUKISA-N 433.509 1.613 30 10 IDEE CC(C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723162348 DQHUPUYGBLGNNR-XUTLUUPISA-N 441.536 1.519 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723585901 QQPWWTSSBZUFIA-IUTYPILCSA-N 429.525 1.425 30 10 IDEE COc1cc(C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1729960871 CPMAIQUSWMZYTN-IAGOWNOFSA-N 431.518 1.274 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1=O 1730775950 CUOARWATHCIASW-RDJZCZTQSA-N 439.520 1.012 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1740591373 OOGYIRYYNJKOSV-SZMVWBNQSA-N 437.566 1.028 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1740689715 HGMBOOMWZWZRKV-KRWDZBQOSA-N 430.578 1.437 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1740716958 FLWQBQMUAOWYFJ-MRXNPFEDSA-N 439.607 1.358 30 10 IDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(=O)(=O)NC)CC1 1740826075 XJAYIJOPRQGQSQ-UHFFFAOYSA-N 446.581 1.158 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1740895012 PRKHNRBNLIIJPM-UHFFFAOYSA-N 436.534 1.524 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC2)CC1 1748990157 UOVDZIBXUUXJSA-SFHVURJKSA-N 430.553 1.752 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1749572826 CSQXSUZWKCHXBQ-UHFFFAOYSA-N 437.595 1.236 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760153041 GJIDQJVMHJXZFH-CQSZACIVSA-N 426.443 1.538 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1 1760197520 ZIGRDTARYOCAFH-UHFFFAOYSA-N 435.509 1.873 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(C)=O 1760212963 KPGNQDXTZPONEC-UHFFFAOYSA-N 427.530 1.338 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1760262341 MCOPUNXSSDQXTM-GOSISDBHSA-N 447.509 1.903 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2ccsc2)CC1 1760273330 PGAKVLYXIAGAGM-OAQYLSRUSA-N 431.562 1.750 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1760324785 MYFWJRNAUXYGJC-XLIONFOSSA-N 446.552 1.660 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C)C1 1760531854 CCCVQKHIIIWIPD-HZPDHXFCSA-N 435.550 1.727 30 10 IDEE CC(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760680471 DADLJSAXQWGNGR-UHFFFAOYSA-N 441.584 1.633 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760680807 QSSCDLCBAIJUNV-GOSISDBHSA-N 425.493 1.581 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)C1 1761132483 BCVVCZODYMYFLC-FXAWDEMLSA-N 439.564 1.874 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1761362157 AOIWBJSWYIBCAR-QGZVFWFLSA-N 440.552 1.732 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ncn(-c2ccccc2)n1 1761462807 ASAXQEUYOHZRQB-CABCVRRESA-N 443.537 1.256 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1762701003 RQOCNDACGLYJJH-YOEHRIQHSA-N 446.458 1.820 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)C(C)(C)C 1763033926 ABRSLNNKBGDMPW-HNNXBMFYSA-N 444.561 1.697 30 10 IDEE CC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1765145599 MSCAUOMOPUPPBV-YKHTYXQRSA-N 448.549 1.085 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCCN1CCC[C@H]1CO 1771289019 MSJNGXQPRFQIHQ-ACRUOGEOSA-N 446.596 1.979 30 10 IDEE Cn1c(=O)c2cc(C(=O)N3CCC4(CC3)C[C@H]4C#N)n(Cc3ccccc3)c2n(C)c1=O 1849066653 XFMJKLTYBFDQBC-KRWDZBQOSA-N 431.496 1.853 30 10 IDEE Cc1c(Cl)cccc1N(C(=O)CN1CCNS1(=O)=O)c1nccc(N(C)C)c1C#N 1851660531 CBUDXTNTXLARHM-UHFFFAOYSA-N 448.936 1.796 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc4ccccc34)C2)CC1=O 1856804728 DWIRTKDSYINOHS-IRXDYDNUSA-N 430.482 1.722 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OCC)c(F)c3)C2)CC1=O 1856808934 MVGHIDIYFLYULY-KGLIPLIRSA-N 442.465 1.107 30 10 IDEE COC[C@H](C)OC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1859014088 YESJZOXPTWJRKM-HNNXBMFYSA-N 445.497 1.981 30 10 IDEE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(C#N)cc1 1867191354 QJDGXINCECHAOA-SFHVURJKSA-N 448.435 1.909 30 10 IDEE Cc1c(Br)cc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c(=O)n1C 1891171588 UFMKGKNOABZQQM-LBPRGKRZSA-N 432.278 1.802 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 2054376670 KBUHEAVVRINWOO-BJDJZHNGSA-N 431.274 1.956 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cc(C#CCN)cs1 2164488276 VDTCAPATGNHFHQ-HXUWFJFHSA-N 449.529 1.502 30 10 IDEE C#CCCN1CCC[C@@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2204035945 HMUPYWKUWOYWIJ-QGZVFWFLSA-N 431.558 1.716 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)COC1 2247905424 HWPBISSNIGCRNX-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255611182 GTYCCTDZIAJYLS-CYBMUJFWSA-N 435.334 1.244 30 10 IDEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)ncc1B1OC(C)(C)C(C)(C)O1 2256627759 CDEVVRSHFPIATL-JSGCOSHPSA-N 436.318 1.297 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267514302 XHFBSWZYXWDWPL-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268708651 DMHDFHYHVJNFRZ-GOSISDBHSA-N 448.369 1.920 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2334270222 PMVJBDDWLYRCOI-IJEWVQPXSA-N 446.357 1.847 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 72443864 LDZAYCVMTMGMIQ-UONOGXRCSA-N 426.864 1.349 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 409837481 TYXFQOJNWCNYRV-FZMZJTMJSA-N 425.454 1.573 30 10 IDEE COCCOc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427337943 XGMLFPARYZJKHW-UHFFFAOYSA-N 425.488 1.491 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)cc1 439739093 AMVPULDZMKLFEX-UHFFFAOYSA-N 431.496 1.968 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486489321 SFRRCDGJWVGASN-IERDGZPVSA-N 444.495 1.757 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488265327 QGRLOLDOQJPABU-VQTJNVASSA-N 436.516 1.793 30 10 IDEE C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 503673262 UKFGVCQTOOIBKL-IAQYHMDHSA-N 429.531 1.900 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)C3CCN(c4ccc5nnnn5n4)CC3)CC2)cc1 504704661 YUNUBISOVDAQST-UHFFFAOYSA-N 432.488 1.677 30 10 IDEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508508245 WICBCPJFPZCBRJ-UHFFFAOYSA-N 440.548 1.332 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 509001132 LXMXVDNHDHKZMB-QRVBRYPASA-N 432.569 1.179 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C1CC1 517352828 CMRMTZSDTJGQGD-UHFFFAOYSA-N 428.470 1.191 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@H]3[C@H]3CCCCC3=O)C2=O)cc1 544790189 DNXDWGGQLJZBQU-QRVBRYPASA-N 438.484 1.750 30 10 IDEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 549290951 SZJWGBSMPDPQPE-UHFFFAOYSA-N 440.508 1.198 30 10 IDEE C[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 557471570 BLMMXRLJMSIOLW-YJBOKZPZSA-N 428.514 1.987 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1ccccc1C 574872929 HNFHLPUIYLEGQW-UHFFFAOYSA-N 441.516 1.642 30 10 IDEE N#CCCN(C(=O)CCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1 581956368 KPIFNEKSLYCYMJ-UHFFFAOYSA-N 432.546 1.740 30 10 IDEE CCCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c1 589158015 RBEDVWOGLJJKDP-UHFFFAOYSA-N 425.510 1.056 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccccc1C#N 604002356 PSPQOTKFVSWTQG-UHFFFAOYSA-N 442.500 1.585 30 10 IDEE COc1cccc(/C=N\Nc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)c1O 606629594 BWULVVFOOAWUBW-FMCGGJTJSA-N 434.456 1.642 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 609459103 RXECHYQXBICLAO-GOSISDBHSA-N 436.582 1.120 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c1OC 614903158 ZFJNQNTVZSPWNR-MRXNPFEDSA-N 442.537 1.834 30 10 IDEE C#CCN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@H]1CCS(=O)(=O)C1 729331789 PGYNGMMPWZHKBI-SFHVURJKSA-N 436.489 1.745 30 10 IDEE COc1ccc(-c2noc(CCCC(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2)cc1 731861407 AGWBKWUBEDKEJA-XUTLUUPISA-N 425.445 1.711 30 10 IDEE Cn1cc(N2CC[C@H](OC(=O)CSc3nc(O)cc(C(F)(F)F)c3C#N)C2=O)cn1 732317039 YXYIIBMGBXXXQO-LBPRGKRZSA-N 441.391 1.852 30 10 IDEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC[C@@H]2CCCO2)c1 737304946 DMNSENBVSKSYJM-DNTCVELPSA-N 442.472 1.134 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 747993335 GKHGOBBHZSUKCW-IRXDYDNUSA-N 426.517 1.227 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 748065971 OSXJBTZLFJOPQU-UHFFFAOYSA-N 430.482 1.117 30 10 IDEE C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 767695353 KISAOKXJJNVIRK-HNNXBMFYSA-N 440.518 1.800 30 10 IDEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771536247 CXFKZKYAYPCBBB-MRXNPFEDSA-N 427.534 1.670 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(cc1Br)NC(=O)CO2 782405262 NPMBLUXAOZOUFY-QMMMGPOBSA-N 426.223 1.337 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)n1 788968573 PQQCJVBQADTETD-MRXNPFEDSA-N 433.534 1.344 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cc(Br)ccc1O)c1cc[nH]n1 804732940 GALQTXZEYDXEMS-UHFFFAOYSA-N 425.239 1.478 30 10 IDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)n1 807931851 KPQGKVVSUHNGGC-HNNXBMFYSA-N 440.464 1.905 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 808480333 PEACFYHUNLZMEA-UHFFFAOYSA-N 426.454 1.960 30 10 IDEE Cc1ccc(NC(=O)COC(=O)c2cscc2C#N)cc1S(=O)(=O)N1CCOCC1 814613533 PEZJZPXBXYJHDT-UHFFFAOYSA-N 449.510 1.745 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2c(O)nc3ccccc3c2=O)C1=O 914830308 MKIHYISSKAFWAE-OAQYLSRUSA-N 429.477 1.804 30 10 IDEE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777764 SGNCGKHMJXLDPX-UHFFFAOYSA-N 432.849 1.456 30 10 IDEE CC1=NN(C(N)=S)C(=O)C1=NNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 1084022869 GUECLQGHKOGNJE-UHFFFAOYSA-N 446.518 1.124 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084236136 VETYSBNCUNKKEF-UHFFFAOYSA-N 428.434 1.783 30 10 IDEE CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1cc(C#N)ccn1 1128192598 RYYYQPLHGNTFKO-HNNXBMFYSA-N 426.454 1.553 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1148701331 SZDAXFZOXVFFMN-MRXNPFEDSA-N 442.541 1.503 30 10 IDEE C[C@H](O)CN1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1154894699 SDVSKKPCWZWOAJ-JXFKEZNVSA-N 428.533 1.918 30 10 IDEE COC(=O)c1cc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1168538119 OETUNDYCTUASOK-INIZCTEOSA-N 444.513 1.638 30 10 IDEE C#CCN(C)CCCNC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1216724186 ONHQQYXGDBSJFH-UHFFFAOYSA-N 431.541 1.610 30 10 IDEE C=CCO[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1256631850 UPAYDXORSCKAQQ-KRWDZBQOSA-N 439.509 1.096 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](F)COC)c1 1286308688 BZUDESGOHPMCLV-RDJZCZTQSA-N 428.468 1.270 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286393791 SBMKSOFGDCPIGW-XLIONFOSSA-N 442.589 1.373 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1286419676 CLJDDUGJIXPZMO-SFHVURJKSA-N 428.562 1.488 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](C)C1 1286819283 GDRHGHBELBNGLI-OKILXGFUSA-N 437.522 1.220 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)c1ccccc1 1288825338 CCSYGAZPFUNPRR-HNAYVOBHSA-N 435.529 1.467 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)nn1 1289999245 DJWRMGBDFRZCBN-UHFFFAOYSA-N 440.323 1.373 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1291294197 GHZMVMCCSPPECD-QFBILLFUSA-N 443.577 1.381 30 10 IDEE CCN1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N2CCC(C#N)CC2)CC1 1296210316 DXKDQMKRDXDGEN-UHFFFAOYSA-N 439.612 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)c2cccs2)CC1 1300682308 GGWLFINLCHMFJK-UTKZUKDTSA-N 433.578 1.727 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2OCC)CC1 1300700098 LSRNBFNNBCCKRF-LJQANCHMSA-N 443.573 1.382 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nncn2CC)CC1 1300709659 ALWBXTMKTDIDDW-UHFFFAOYSA-N 436.520 1.281 30 10 IDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300999943 LNPFWBRDEHLVAC-KRWDZBQOSA-N 442.520 1.672 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1301578479 BUAIPNFIIMFBHQ-INIZCTEOSA-N 440.529 1.766 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301585660 AOTMWGFTWPUYFX-UHFFFAOYSA-N 430.596 1.379 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccc2F)nnc1N1CCOCC1 1303095463 FIBQOWSOGGRPKW-FMQUCBEESA-N 426.452 1.371 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H](CC#N)C3)CC2)cc1 1307922999 FLSCTIPARGXYTR-SFHVURJKSA-N 432.546 1.348 30 10 IDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1312376273 FKNVDJOEGMBZCX-UHFFFAOYSA-N 433.578 1.840 30 10 IDEE CCN1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1313957075 CGAQCMUQJWSJKL-OAQYLSRUSA-N 439.564 1.710 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1315734394 CVCAPGQFGTVAQV-WOJBJXKFSA-N 438.532 1.960 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCNS(C)(=O)=O 1316288079 UYDPGBFUVSXXMN-IRXDYDNUSA-N 440.570 1.071 30 10 IDEE COc1cc(OC)cc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1320865281 ZDPNRHZXFIRREO-CQSZACIVSA-N 429.454 1.433 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCOCCCO)cc1 1342136515 ANRYWJDKOSSQPS-RELWKKBWSA-N 426.539 1.800 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1358890451 PONIRGAPMWLOFF-PKOBYXMFSA-N 442.589 1.950 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1358961538 APJIXRLBPCEATI-CVEARBPZSA-N 439.607 1.389 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1358974909 WHOHZNHFGYTIDO-UHFFFAOYSA-N 436.335 1.330 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1C 1358976573 JFSYWROLQNUCME-UHFFFAOYSA-N 441.499 1.315 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCN(CC)CC1 1359007385 HRXJVFHCPAIHPS-UHFFFAOYSA-N 427.553 1.493 30 10 IDEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359062114 WIAUBCRFOKOLLJ-UTKZUKDTSA-N 435.594 1.742 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359215654 GYPIAVNEEQHBKA-KURKYZTESA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC)[C@H](C)C1 1359300499 DBWVDVOLXUYJEI-APWZRJJASA-N 426.521 1.623 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359303549 SOBARGQWQLGRFW-SFHVURJKSA-N 430.553 1.141 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(N)=O)cc2)C1 1359325177 ZPYUPEQCNLURIX-SFHVURJKSA-N 439.520 1.721 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1359461765 IIWPGKOVMFDJQM-LJQANCHMSA-N 449.519 1.688 30 10 IDEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1359724056 FLVHYFTVHHRIAA-ROUUACIJSA-N 437.504 1.839 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)C1 1360034729 HCULTOBIUAKCTE-HXUWFJFHSA-N 442.589 1.742 30 10 IDEE C=CCCn1cc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)nn1 1435315938 ZBFNTXLQXGKWDJ-UHFFFAOYSA-N 440.476 1.781 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c(=O)nc1O 1442116739 DDUJWDVPDBURRU-UHFFFAOYSA-N 445.483 1.176 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)COc2cccc(Br)c2C#N)cn1 1449502537 BTCYTWITJOAXNA-AWEZNQCLSA-N 446.305 1.854 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cc(F)c(Br)cc2F)C1=O 1461660231 VCFICLQXBJSCQU-MRVPVSSYSA-N 430.205 1.881 30 10 IDEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CC#N)CC1 1465872288 IINWZRAIHHVQEW-HSZRJFAPSA-N 442.516 1.946 30 10 IDEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1467494699 FQOILKPGKCUVFB-GOSISDBHSA-N 438.440 1.266 30 10 IDEE Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)cc1S(=O)(=O)NCC#N 1469449477 GBHUJARBXSIBCE-LJQANCHMSA-N 439.501 1.041 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)ccc1F 1470436540 VWLGLMJRJMDOCT-MRXNPFEDSA-N 446.460 1.813 30 10 IDEE C=CC[C@H]1CCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1478306582 RLYGDNCEYALDAU-HNNXBMFYSA-N 445.563 1.399 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN(CC)S(C)(=O)=O 1507536693 GBNRTQBTYKVHDI-QGZVFWFLSA-N 443.577 1.646 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1507618306 JOSVQLZIRYVVBS-UHFFFAOYSA-N 432.333 1.783 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1507628441 HNSPNCRNYIDKRE-IBGZPJMESA-N 427.530 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CC=C)CC1 1507737881 CKKCGAJNICUKAB-SFHVURJKSA-N 447.605 1.748 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCSC2(CCOCC2)C1 1507741224 NDCULOBCWIUYRO-UHFFFAOYSA-N 435.619 1.983 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507969033 ZRYKMFBHKYOPDK-IAGOWNOFSA-N 432.525 1.238 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1508078542 ZDYLCKWZYGDWMK-UHFFFAOYSA-N 448.483 1.881 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1508091495 LXYBUHKPWGCKTA-GOSISDBHSA-N 440.548 1.963 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1[C@@]1(OCC)CCOC1 1508096671 BLXJZJDKUNSDAK-PGRDOPGGSA-N 433.553 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508132050 ULFGFCDKFGTWKH-SJORKVTESA-N 439.582 1.220 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1508153046 GIALLDPRYLLBSV-QGZVFWFLSA-N 443.621 1.992 30 10 IDEE CCOCc1nnc(N2C[C@H](C)O[C@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516490595 LTUPENBYFSWTIB-UVXWHEEHSA-N 430.509 1.345 30 10 IDEE COC[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1518707641 DAHVPOQTQLHXBD-MSOLQXFVSA-N 447.547 1.923 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2OC)CC1=O 1519205156 ABZHCTKWQDYYES-VQTJNVASSA-N 438.532 1.927 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OC 1535347087 NSOMGVLEKHAXQD-GOEBONIOSA-N 436.486 1.248 30 10 IDEE O=C(N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(n2cnnn2)CCOCC1 1536954184 RLUWQBISPCLZJT-DTORHVGOSA-N 449.302 1.808 30 10 IDEE N#C[C@]12CN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1539117708 BQRCRLRLPBYKCL-SIKLNZKXSA-N 429.542 1.255 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539219418 CGXKQBUTTQGMKF-QUCCMNQESA-N 443.573 1.745 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2cccn2)c1 1539391301 BPJSQDYFVSLPME-UHFFFAOYSA-N 447.543 1.893 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2C2CCCCC2)CC1 1539427968 KVIAGELUHDEHEJ-OAQYLSRUSA-N 441.624 1.969 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(O)(CC)CC)CC1 1539490268 URYFFDPJAWITHY-OALUTQOASA-N 447.580 1.519 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540035394 BKGCIDIKONMCSD-RTWAWAEBSA-N 432.613 1.979 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCC(=O)N1CCOCC1 1540139622 JCTWBSHJPFNUOE-UHFFFAOYSA-N 446.577 1.919 30 10 IDEE COC(=O)[C@@H]1CCCN(CC(=O)Oc2ccc(C#N)cc2I)C1=O 1540190483 VLCDBWKIANPIAB-LLVKDONJSA-N 442.209 1.480 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1541798305 GVPJELBOXKFJGW-CZUORRHYSA-N 429.912 1.878 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)CC1 1546343734 FGMUKYJWRBSGIC-IBGZPJMESA-N 433.549 1.877 30 10 IDEE CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1546893963 DSSGICLTUSYCKQ-HQEVYLJUSA-N 443.552 1.634 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCOC)CCN2C1=O 1547606710 XPYVUJBECZPWMS-GOSISDBHSA-N 437.504 1.716 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)C(=O)NC 1548298798 BYKHUFDCTSRYRX-OAHLLOKOSA-N 446.577 1.848 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1555663021 IKTBAHCDGVWUHJ-SBHAEUEKSA-N 445.612 1.911 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1555710008 HFJIIGCAMQABDL-JPYJTQIMSA-N 438.532 1.784 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)C(C)(C)C 1555728920 XDZYQXZOJMVTDY-PMPSAXMXSA-N 427.571 1.811 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCOCC1 1555810360 DDYYSQGFIKIZLC-GOSISDBHSA-N 430.534 1.467 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)CCOC1 1557560239 QXVFZSLAYJWZIF-HSZRJFAPSA-N 439.468 1.820 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)C1 1558328853 GLIVSNXKQDVBQE-XRHIAGSSSA-N 435.615 1.912 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCC#C[C@@H]1CCCCO1 1558751346 SHDJMHUBNZBQJI-HNNXBMFYSA-N 429.336 1.806 30 10 IDEE CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1CN(C)C 1564689472 HQLBFVOFESDGIZ-NJDAHSKKSA-N 426.565 1.040 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1587766502 VZJBLZYDNPHPJA-PMACEKPBSA-N 449.621 1.532 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1587862273 UIPYUNYGFPLIIX-LJQANCHMSA-N 447.605 1.823 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588041115 USVIRZILXDLBDS-SFHVURJKSA-N 440.529 1.362 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=C)Br 1588613207 UXBHUZRWJWHFCB-UHFFFAOYSA-N 443.309 1.915 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(C)(C)N2CCC(OC)CC2)CC1 1588947380 PWCRWNKOXLKCTG-UHFFFAOYSA-N 430.597 1.696 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1CCCO 1589164125 QNANTXHFSVAQTC-WWPVKYPJSA-N 431.581 1.769 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1589296629 VYKXKRHVRXBZIX-SFHVURJKSA-N 446.309 1.693 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1589547889 WSHZJCIXFMGFME-LNLFQRSKSA-N 430.553 1.931 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCC2)CC1 1594097200 NKRPQJBIWRAWGL-MRXNPFEDSA-N 425.555 1.073 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2csc(C)n2)C1 1595673887 KZXMDCBTYBLAQN-CJNGLKHVSA-N 440.595 1.677 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NC3(C#N)CCSCC3)CS(=O)(=O)[C@H]2C1 1596303274 IXRALEPEMOTAKS-ZNMIVQPWSA-N 443.591 1.562 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCSCC1 1596797682 BWJXVCVRRGCRPJ-MRXNPFEDSA-N 448.618 1.993 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(C)CN(C)C1=O 1603683188 ODPMLQNHWFOVNO-ZHRRBRCNSA-N 437.552 1.332 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)n(C)n1 1612467661 DGZDIRHYMAKVSW-KRWDZBQOSA-N 425.518 1.530 30 10 IDEE Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1625914291 GRVGKJQJZSFELN-FMQUCBEESA-N 427.461 1.254 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1)c1cc[nH]n1 1628266603 LQWFXWFONXBWCO-UHFFFAOYSA-N 431.497 1.416 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1633298315 OXSUKCCVQSEIQE-UHFFFAOYSA-N 444.453 1.259 30 10 IDEE COc1ccc(CNC(=O)/C=C\C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1633661904 AOJYAMRHHWUQPI-FTJRJAGUSA-N 428.489 1.743 30 10 IDEE C[C@@H](CC(=O)NCc1nc(-c2ccccc2)no1)/N=C1/NS(=O)(=O)c2ccccc21 1633728402 BTKXHMCPUYPJFK-ZDUSSCGKSA-N 425.470 1.870 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1634782478 KUYCBQPNPUAJSU-SJORKVTESA-N 427.567 1.015 30 10 IDEE Cc1cc(NC(=O)[C@H](C)SCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)no1 1639049890 MXTAYXPORXPNFR-ZDUSSCGKSA-N 446.485 1.947 30 10 IDEE O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1641858421 YTTAPXWYEPEQNN-QGZVFWFLSA-N 428.466 1.852 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)CC1 1644281860 ODZFPXNLQNSHKH-UHFFFAOYSA-N 443.298 1.295 30 10 IDEE N#C[C@@]12CN(CC(=O)NCc3cccc(COCc4ccco4)c3)C[C@H]1CS(=O)(=O)C2 1644636821 OKLCHCJYWUYNCA-UGKGYDQZSA-N 443.525 1.483 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)cc1 1646112069 XRXLKJXJIKCUIE-LJQANCHMSA-N 428.466 1.347 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1=O 1652998314 NZMXVAHAOQIJTM-DOTOQJQBSA-N 430.505 1.405 30 10 IDEE C[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 1653057798 YDHJLRIPNRZAFY-INIZCTEOSA-N 425.510 1.887 30 10 IDEE Cn1nnnc1CCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1653555849 OLIYTIQWQPINKA-GOSISDBHSA-N 425.493 1.665 30 10 IDEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCC1(F)F 1654391093 SFWGQIVISZBLRU-JKSUJKDBSA-N 440.516 1.977 30 10 IDEE CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1660944180 DXPDLMYYBFJTNO-UHFFFAOYSA-N 425.536 1.139 30 10 IDEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN(c3ccsc3C#N)CC2)C1 1670341070 ADDJTQCJEZKAMC-UHFFFAOYSA-N 426.564 1.938 30 10 IDEE C#CCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689940748 BVOVKFZLRCKAOP-XMSQKQJNSA-N 430.553 1.772 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)CC1 1690117558 LNLQDDGUEWDRBF-UHFFFAOYSA-N 443.939 1.031 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cc2)CC1 1690134851 IJVQYIWNICEAIU-UHFFFAOYSA-N 426.496 1.570 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1690365969 MGTROMPBLWTOOA-FQEVSTJZSA-N 441.598 1.758 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690670077 YGVGPHJCWXVUHX-PXNSSMCTSA-N 443.596 1.227 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1690724163 JDWNTNHISJRMHR-CQSZACIVSA-N 437.488 1.067 30 10 IDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1693389684 BFYRABDCXBJVTE-QFIPXVFZSA-N 434.504 1.636 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCCO1 1696501240 BBHQMDBMDAHGAQ-SFHVURJKSA-N 432.550 1.761 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1705547278 BGVAWXLCWNHCDI-UHFFFAOYSA-N 435.575 1.402 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705562359 ATIUYDHRAFFENM-INIZCTEOSA-N 448.545 1.360 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(SCC)c2)CC1 1705632349 NCBBZFFYLNTOQS-UHFFFAOYSA-N 427.578 1.727 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1705666316 BIVHWNZFCNDFMF-LPTQZCDUSA-N 449.552 1.927 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC 1705700460 UCDUZMACXXARCT-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705735348 OBVCQTCHDWTSNL-MSOLQXFVSA-N 441.598 1.878 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705832386 WISFRICCPZFZIA-GOSISDBHSA-N 430.553 1.584 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1 1705903450 WMOPEOKYCXEEJX-UHFFFAOYSA-N 434.541 1.531 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1705930690 TXOYKQWQSRFUGU-UHFFFAOYSA-N 447.561 1.281 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@H]1CCC(=O)N1 1706596770 YXNAMQQRSZLNPX-LJQANCHMSA-N 433.516 1.860 30 10 IDEE Cc1csc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)n1 1707717004 COQSOQXFYGCHOR-XBFCOCLRSA-N 439.567 1.186 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1712167182 GIUKPDUNIWNNEZ-QGZVFWFLSA-N 438.467 1.388 30 10 IDEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1712360876 LGHZZCOVPFKOAK-UHFFFAOYSA-N 433.534 1.780 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](C(F)F)N1CCOCC1 1722352540 HTYVVBQRAIXNGA-HNNXBMFYSA-N 436.463 1.431 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1722394714 CDOSACDNOICZKM-UHFFFAOYSA-N 427.310 1.801 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)n1 1722398255 UWRQKNSHOFAJTM-UHFFFAOYSA-N 441.499 1.818 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1722426919 OLEDHRJEOHIHLG-QZTJIDSGSA-N 437.566 1.053 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1722426921 OLEDHRJEOHIHLG-ZWKOTPCHSA-N 437.566 1.053 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)CC1 1722442573 VPBJKSAUVODNII-UHFFFAOYSA-N 436.560 1.755 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722460848 ZUSHDXPCLVBLEK-OALUTQOASA-N 448.637 1.575 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1722473469 FFVOTIKYIQBERG-GHTZIAJQSA-N 444.561 1.241 30 10 IDEE C=C(Cl)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722558260 JACGBNUXIWXCBN-LJQANCHMSA-N 426.949 1.923 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722689975 CCWOSCJAWOUFGC-JKSUJKDBSA-N 428.541 1.491 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722701777 DAPWHNFSJSDCJE-UHFFFAOYSA-N 440.552 1.124 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722721549 UODJSHTYKZFPSQ-MOPGFXCFSA-N 430.553 1.440 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1722870627 RDZKTGZPQOBPHA-ZFWWWQNUSA-N 429.456 1.580 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1722999290 MHFZJKTZIWCHKA-HXUWFJFHSA-N 435.504 1.757 30 10 IDEE CCc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1727608045 YXXIWQIHVHMONC-VXPUYCOJSA-N 440.483 1.228 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1729185169 UFCZOTWJTSODNR-AWEZNQCLSA-N 434.522 1.286 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 1730707676 GCZMRWUUWBLZIO-KRWDZBQOSA-N 437.548 1.815 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CC1 1731185376 AGCXJOCPLWTCEG-QGZVFWFLSA-N 434.566 1.323 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1740640115 ZBNTVHPUEHZZPZ-RBUKOAKNSA-N 431.606 1.764 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)CC2CC2)CC1 1740693859 PARVQZMITFYSNR-UHFFFAOYSA-N 427.574 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740706817 DYQSOEOAQIVZMO-IBGZPJMESA-N 449.559 1.144 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C(N)=O)CCOCC2)CC1 1740827981 SAHZORRTTXKKFH-UHFFFAOYSA-N 444.561 1.708 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 1740952495 GGUYLIFHZUWYBA-OAHLLOKOSA-N 430.484 1.528 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740978587 YIXQAVOUYJGUCM-SFHVURJKSA-N 432.546 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740987896 ZUYCQUFRYNILIA-NVXWUHKLSA-N 449.964 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@@H](C)C1 1740994079 IPIDCYZZOQLVHT-HNNXBMFYSA-N 438.623 1.765 30 10 IDEE CC(C)Cc1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741479932 SZOKBFMQMXPSIV-MRCUWXFGSA-N 427.553 1.535 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1741983229 IERDEZURDUPKAQ-VQIMIIECSA-N 437.566 1.242 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC=CCO1 1744090985 LHWVSCAAFUHPPJ-OALUTQOASA-N 427.553 1.718 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1746540741 ZKFAWRXHVPRPMZ-SJORKVTESA-N 434.522 1.551 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1748724823 JFBHNSUKFJHSMO-SFHVURJKSA-N 448.593 1.208 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748817456 KXSVFNBRVYTDDG-RXAIFQJESA-N 426.608 1.405 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cn(C2COC2)nn1 1748882375 PSQMQYJUXJVLPM-UHFFFAOYSA-N 432.444 1.527 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1748886847 NLBWIZULIBPMJJ-UHFFFAOYSA-N 445.527 1.616 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1748965396 SDKUFIZQNDVGNM-QGZVKYPTSA-N 425.533 1.370 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2C)CC1 1748990655 YYAFPTNYHPWVSE-FQEVSTJZSA-N 427.574 1.601 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1749465708 WHEGISORMJRTMJ-HUUCEWRRSA-N 442.586 1.910 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1751296648 NAWCLTNBIXIVRK-LTRYHMRKSA-N 445.549 1.087 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1760174226 FHMBBRGSEBNDNZ-GOSISDBHSA-N 433.534 1.127 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cn(C)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760185641 AGRMOWQTLOYZGC-LJQANCHMSA-N 438.557 1.916 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)N(C)C)c1 1760209196 YNWLPLQZQMWQBG-UHFFFAOYSA-N 446.555 1.922 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1760248848 RPHAVFMGZGMVKN-FQEVSTJZSA-N 433.516 1.608 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)nn2C)CC1 1760256894 LGXBHVKEIMYQAC-QFIPXVFZSA-N 427.553 1.164 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1760357020 BVWYCVMNVQYNOS-QGZVFWFLSA-N 439.582 1.222 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1760358190 SFLRWCPGGXXDGS-HNNXBMFYSA-N 427.571 1.124 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760407441 DIAAAKCPZMHZFN-HNNXBMFYSA-N 431.541 1.491 30 10 IDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760440261 FNGOFNFUPGBLAA-LJQANCHMSA-N 444.580 1.689 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1763512512 DMKJMMCOSYWLIF-IEBWSBKVSA-N 444.561 1.713 30 10 IDEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1768061209 VBZGJSKRBGWANL-YWPYICTPSA-N 439.435 1.590 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1769094415 HEVSZAUCHSPLSD-CQSZACIVSA-N 432.550 1.458 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)c1 1769186773 GUPZGXWACRVXET-NPPFBWRTSA-N 442.495 1.852 30 10 IDEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)CC1 1770754485 GUTWKZHMLQYHTH-OAHLLOKOSA-N 427.534 1.678 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1cc(Cl)cn1 1771218472 CTHQXKWFBJBAIE-MAUKXSAKSA-N 448.959 1.729 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC(=O)NCC(F)(F)F)cc1 1771531811 DFZMGGIBOGCRKN-UHFFFAOYSA-N 449.437 1.587 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](COCC(=O)N2Cc2ccccc2)C1 1849799466 VIANJFQFWCMDJU-VQTJNVASSA-N 425.510 1.996 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2C(=O)NC[C@H]2C2CCCCC2)CC1 1852170021 YCSNRILFSNSVMS-VQTJNVASSA-N 425.533 1.561 30 10 IDEE COc1ccc(CN2CCn3nc(C(=O)N(C)C(=S)N=CN(C)C)cc3C2=O)cc1 1852195655 RHKATXCZMMLTDS-UHFFFAOYSA-N 428.518 1.495 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(CCOCCOc3ccc(C#N)cc3)CC2)cc1 1852692054 QQOSCMKCJMBHSM-UHFFFAOYSA-N 445.541 1.969 30 10 IDEE N#C[C@H]1CC12CCN(C(=O)[C@@H](Cc1c[nH]c3ccccc13)N1CCS(=O)(=O)CC1)CC2 1852729454 GWOKXTMNBIULJX-WIYYLYMNSA-N 440.569 1.962 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCOCC2)C2(C)CCN(C)CC2)CC1 1853420408 GUZHOQSJEIUMGR-UHFFFAOYSA-N 428.599 1.409 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2cc(Br)ccc2Cl)CCN1S(=O)(=O)CC#N 1854694277 NTVOZNQNZFXCLJ-SECBINFHSA-N 434.699 1.629 30 10 IDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1=O)CC2 1855022734 HHIHBMCCGVNXIO-WBVHZDCISA-N 428.924 1.709 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)CC1=O 1855753802 MLWLXBJCKDNCLU-MSOLQXFVSA-N 425.595 1.996 30 10 IDEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)N2CCN(c3ncccn3)CC2)CC1 1860617044 ZIJZOJDLIZDWMD-JOCHJYFZSA-N 437.544 1.874 30 10 IDEE N#Cc1nnn(-c2ccccc2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155384 KJEOZSKUSDQXMC-UHFFFAOYSA-N 431.368 1.672 30 10 IDEE C[C@@H](C#CC(=O)NCCn1cnc(I)c1)NC(=O)OC(C)(C)C 1902015743 BNZPYQXEIYBOCK-NSHDSACASA-N 432.262 1.521 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 1985090909 ADMXLMJEOWRXAG-LBPRGKRZSA-N 432.262 1.521 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010545656 XVIXTZMAQZTLCV-VQTJNVASSA-N 427.549 1.822 30 10 IDEE C#CCN(CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)C(=O)OC(C)(C)C 2015024031 NMFAJAJSUZACFK-GJZGRUSLSA-N 439.509 1.826 30 10 IDEE Cn1cc(Br)c(S(=O)(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)n1 2121895954 KWTHKTNXVAFVME-UWVGGRQHSA-N 432.149 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124520675 XIZRGEQGZWGGLV-NRFANRHFSA-N 448.329 1.476 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)[nH]n2)OC1(C)C 2255631978 GZEVEQYGBUORDF-QFIPXVFZSA-N 426.326 1.076 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255650549 ZYPCTBRTWFEDGE-KBPBESRZSA-N 434.346 1.610 30 10 IDEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255697100 DFLOIHWHEJRTPC-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)COC1 2255869510 CISRMERWFRJFAN-UHFFFAOYSA-N 433.314 1.404 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2259345788 LNLMEYCEGADACJ-HIFRSBDPSA-N 432.330 1.809 30 10 IDEE C[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1C(=O)OC(C)(C)C 2267221419 VITOSCJYVXXXMV-UONOGXRCSA-N 449.361 1.632 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267535960 FBPSVRSGNONTJW-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267605568 OWVXRKNMIANNGI-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881372 ZUDSBUBGDSRAQY-UONOGXRCSA-N 448.329 1.140 30 10 IDEE C=CC1(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCOCC1 2270529764 KHOOBTWGHQZQAS-MRXNPFEDSA-N 426.491 1.268 30 10 IDEE CN([C@@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270539581 RZJRUGJXENLGHJ-OLZOCXBDSA-N 437.396 1.472 30 10 IDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2272076360 JVTDWYUDOAWOSN-QFBILLFUSA-N 426.491 1.099 30 10 IDEE C#CC[C@H](CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2286052071 TZVGQOHTHSSHQD-MOPGFXCFSA-N 436.530 1.766 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1 2296613832 LYYBYYBPHSTYTH-IBGZPJMESA-N 428.489 1.774 30 10 IDEE CC1(C)OB(c2sncc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2300340808 DILFJEZJENERSC-UHFFFAOYSA-N 433.261 1.725 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2315419052 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COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(CCO)[C@H](C)C2)cc1 426485875 XRMYMBBTLDPREC-MRXNPFEDSA-N 425.533 1.911 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)C2)nc1 428801311 BGMKNOZJLIIXKN-OAQYLSRUSA-N 433.512 1.827 30 10 IDEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 430491384 HZRHWKHTJBGNBD-QGZVFWFLSA-N 430.486 1.096 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)C1=O 432220982 KUEDWCLVYXYXBQ-KRWDZBQOSA-N 429.564 1.028 30 10 IDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440387348 UKTYNJOWPLEMPD-SFHVURJKSA-N 431.473 1.939 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN([C@H](C)c2ccccc2)CC1 465480662 WWOTUFXUDGRMDM-VQTJNVASSA-N 433.560 1.764 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)CC1 467852959 RBTAQUFMXQQBEL-JHNDHUHGSA-N 443.447 1.747 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 469291946 VJMCZGUJWMMKBP-IBGZPJMESA-N 449.502 1.085 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 476225995 OSSLCTVTUISHKG-NRFANRHFSA-N 448.527 1.718 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(I)c2)CC1 477495470 RAZCCZGJFHNYIM-UHFFFAOYSA-N 443.285 1.360 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CC1 477540186 ICAOBWXOVJZUES-UHFFFAOYSA-N 432.484 1.861 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 503606446 FCRZSCMDYXJJBV-CMJOXMDJSA-N 441.484 1.772 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@H]1CCCO1 505699542 JIIYSDACBSMOFI-QGZVFWFLSA-N 437.521 1.863 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 506930643 XCKJLTLOFMMTOT-UHFFFAOYSA-N 447.542 1.859 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 524020569 ICTFIAURUPJITP-UHFFFAOYSA-N 440.887 1.691 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCN(CCC(=O)N(C)C)CC2)nnc1-c1ccco1 531966465 GJSGCBVGEPJIPQ-UHFFFAOYSA-N 446.577 1.829 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)cc2C1=O 554090087 PGOVLPBXYQVVNU-INIZCTEOSA-N 439.493 1.662 30 10 IDEE C[C@H](c1cccc(F)c1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 584023724 AISITXDRNDHYII-MRXNPFEDSA-N 430.505 1.881 30 10 IDEE C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)NC(=O)C1CCCCC1 608930565 ANYYISVHLDERPF-KRWDZBQOSA-N 446.573 1.866 30 10 IDEE CCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608931907 YIWBUBOOCGNQGO-MRXNPFEDSA-N 436.559 1.093 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)CC1 728530701 ODSJFWDHAIRWLX-UHFFFAOYSA-N 434.525 1.503 30 10 IDEE C#CCNC(=O)CN1CCN(c2nc(CN3CCCC3)nc3sc(C)c(C)c23)CC1 728567741 YDJOVAPIXRJJAX-UHFFFAOYSA-N 426.590 1.775 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)[C@H]1CCS(=O)(=O)C1 729331409 MXSLEPPWCZKPMA-WMZOPIPTSA-N 438.571 1.512 30 10 IDEE C#CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 729333304 VHQACOWSTQIKHX-HKUYNNGSSA-N 445.541 1.612 30 10 IDEE N#C[C@@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCN1C1CC1 732649618 LVDDFUKUNBTRRR-CQSZACIVSA-N 431.290 1.634 30 10 IDEE CSCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccoc2)c1=O 732663559 ZLRMRXARKQHKHO-UHFFFAOYSA-N 435.596 1.334 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCc3ccccc3)c2=O)cn1 735069619 XTWSPJPYMAWCTR-UHFFFAOYSA-N 449.580 1.787 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CCNc2ccc(S(N)(=O)=O)cc2C#N)s1 742402273 IYOAIQXZZNLOMJ-UHFFFAOYSA-N 442.588 1.952 30 10 IDEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 765054640 QAWCEHUWQFXYHI-UHFFFAOYSA-N 438.561 1.926 30 10 IDEE C#CCN(C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1CCS(=O)(=O)C1 774024001 JADQPCUVRBMDQY-HNNXBMFYSA-N 434.543 1.787 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2cnn(CC3CC3)c2)CC1 777872694 GNJDBJJSLYUOBF-UHFFFAOYSA-N 428.474 1.924 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)c1 782563318 NKPYPXRVLYPNCQ-XKBVJOOISA-N 435.506 1.206 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786683692 SSNCPXAYQFBJTN-HNNXBMFYSA-N 425.532 1.198 30 10 IDEE N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c[nH]1 786903568 XWIOPOLVKKINGM-WDZFZDKYSA-N 428.470 1.188 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)n1 788333404 ZDZJAFFZINUDLH-GOSISDBHSA-N 426.473 1.314 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 790207656 CCZYWQZQDGRNKH-UHFFFAOYSA-N 448.770 1.548 30 10 IDEE C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)C1=O 790893071 FCMQPXUUJAIWGZ-CVDCTZTESA-N 436.516 1.793 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCCC(F)(F)F 794671566 CKSDOCACRJFAKH-UHFFFAOYSA-N 449.458 1.539 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 813562061 SSXOGSTXUDCPHR-ZFWWWQNUSA-N 426.502 1.880 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084082091 IDVWEWJYROLDLA-UHFFFAOYSA-N 428.434 1.783 30 10 IDEE CN1CCC(NC(=O)Nc2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 1116178022 HSGNSDNYBGYAAG-MRCUWXFGSA-N 440.504 1.757 30 10 IDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)O1 1125125147 DAKOSTKILNOKCR-WLCURSBZSA-N 437.518 1.939 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 1137114997 WJOARUPUTOUSHA-UONOGXRCSA-N 425.917 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@@](F)(C#N)C2)C1 1138252126 VCPBDLNHBURUIR-WOJBJXKFSA-N 427.473 1.798 30 10 IDEE C#Cc1cccc(CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)c1 1142211106 IMQLYKHAOZYCRT-FQEVSTJZSA-N 427.526 1.514 30 10 IDEE Cc1cc2c(cc1NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)sc(=O)n2C 1146824664 KWULUEWWGKJVTC-UHFFFAOYSA-N 430.511 1.976 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)Cc1ccc(O)cc1 1152176586 RRBJRDJTMPNJLV-VQIMIIECSA-N 445.541 1.709 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN1C1CCOCC1 1156912461 WNDRQFBFBJWCGA-GOSISDBHSA-N 448.589 1.655 30 10 IDEE C[C@@](CO)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 1167332365 FSFJLJDMRQNROQ-SFHVURJKSA-N 441.431 1.879 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)CC1 1194096660 LSCPVVDQWLBWHY-UHFFFAOYSA-N 446.554 1.105 30 10 IDEE CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCN(CCC#N)CC2)cc1Br 1213446283 FMWUXCLHODKBAZ-UHFFFAOYSA-N 429.340 1.936 30 10 IDEE C#CCN(C(=O)N[C@H]1CCOC[C@H]1OCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 1226547341 OTHCXVFRBIXCEE-RBUKOAKNSA-N 439.553 1.851 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1286295394 ISRGIMJNTFVLCO-PBHICJAKSA-N 437.953 1.771 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1286397036 REZWAZLVCQLZGS-QGZVFWFLSA-N 449.602 1.997 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCOc1cccc(C(F)(F)F)n1 1286416629 TXMIXOYHZYAJFV-UHFFFAOYSA-N 446.433 1.966 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)N(C)C)CC1 1286470355 YBDFDXWIOZIQDP-UHFFFAOYSA-N 437.548 1.381 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)CC1 1286562502 GQVKJNODJDDDSK-IFMALSPDSA-N 443.596 1.889 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1286691412 ZGKYTQNCBUIMQA-UHFFFAOYSA-N 440.552 1.882 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1286792952 NFOYHIXHOBOFQS-UHFFFAOYSA-N 429.521 1.739 30 10 IDEE Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290872256 WJFKRRGKMVMGNX-KXEGMRRWSA-N 427.431 1.186 30 10 IDEE CCOc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1293082322 BVMUCPYWJPZMDI-UHFFFAOYSA-N 432.477 1.879 30 10 IDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1293250223 GDPOLEHLLUWFSW-DXNFXHBHSA-N 429.525 1.568 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1300363618 FIEMYHYXINDRHB-MOPGFXCFSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300481853 BYVLAKPLGBBFFD-UWJYYQICSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300492335 MXPHEBJMZDVYFG-SFHVURJKSA-N 433.578 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300596896 YRTWJHOXGSAKTD-MXBUBSDBSA-N 428.533 1.803 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1300654535 YVYZJJLQOPBOBK-INIZCTEOSA-N 442.545 1.571 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1300657770 PEEDNWXVAWACFN-KRWDZBQOSA-N 448.541 1.992 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1300699519 DUGHUABJOGZJDV-OAQYLSRUSA-N 436.560 1.725 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1300701118 HFJHLWYDKUKKCC-FQEVSTJZSA-N 429.613 1.175 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300765233 BYTFYWNSGQQFOS-UHFFFAOYSA-N 448.618 1.491 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(OC)cc1 1300780615 UYISJAYCMHPPNX-HRAATJIYSA-N 447.561 1.968 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1300801027 GHIZORBOBIJTGJ-UVDDSOTQSA-N 438.557 1.953 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1301016863 CHKDTYZPWVQYJM-CQSZACIVSA-N 440.961 1.066 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1301499242 AMTLRHBIGHAXDP-IBGZPJMESA-N 426.521 1.854 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)C1 1302978306 BIOPPGHKUOIQIB-LJQANCHMSA-N 428.428 1.210 30 10 IDEE C[C@H](CC(=O)N[C@H]1CC[C@H](c2nccc(O)n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1304820864 VFAWCYJZUNSJHH-RBSFLKMASA-N 443.529 1.842 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)OCC 1309760438 GOBSSNFKIAFPTE-OAHLLOKOSA-N 436.939 1.579 30 10 IDEE COc1cc(OC)c(C[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OC)c1 1312721817 PHHXBACMTDYMHO-YRVVQQKDSA-N 437.518 1.223 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2cccc(C(F)(F)F)n2)cn1 1314898204 HJKMXTWAHFYREX-CQSZACIVSA-N 448.409 1.900 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1315073846 ACLTXCVQJPMHQI-GOSISDBHSA-N 425.489 1.748 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOC[C@@H]2CCOC2)cc1 1316533333 MCVJKDPFELPPSU-SFHVURJKSA-N 440.504 1.108 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 1323361174 AMNAKELXKXNQIU-NXDJFEHLSA-N 429.521 1.337 30 10 IDEE CC(C)N1CC[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)[C@@H](c2cnn(C)c2)C1 1349466058 ZMXNGODIBXMWFH-SJLPKXTDSA-N 426.525 1.304 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1358928206 WFLLCFRJWUQOJQ-KRWDZBQOSA-N 438.536 1.466 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1359010593 UNNBWEOJUZWECO-OAHLLOKOSA-N 425.555 1.507 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)COCCO2)CC1 1359038284 QCZJDIDVGWEXLE-QHCPKHFHSA-N 425.533 1.726 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[S@](=O)CC)CC1 1359043621 BATMOECHEVJNAT-SSEXGKCCSA-N 428.562 1.383 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCCC2)CC1 1359046478 SXXSUXQMRXWJKI-UHFFFAOYSA-N 442.589 1.905 30 10 IDEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1359167850 WYQYOLXEZWVLFJ-UHFFFAOYSA-N 446.573 1.996 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1359240884 ZHALMUYCYIKXPM-IBGZPJMESA-N 449.577 1.875 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N2CCOCC2)CCSC1 1359245107 CCMXGADAYWVURU-WFXMLNOXSA-N 437.610 1.832 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1359281839 KTXCELLILMMCGK-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359283547 ZMLVSXLLQQTIGX-YJBOKZPZSA-N 435.550 1.878 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359291335 MNNFRZDVYDYQPP-INIZCTEOSA-N 449.519 1.475 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359297732 AATZCRQOSWLFFD-UHFFFAOYSA-N 427.509 1.699 30 10 IDEE N#CCC(=O)N1CCN(C(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CC1 1445694284 SYBNWDCJZTWITM-OBGWFSINSA-N 433.497 1.984 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2=O)cc1 1447630652 XTKXKYZRMUSCAA-GOSISDBHSA-N 447.426 1.671 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)[C@@H](C)O)cc1 1453810746 ZWPHTHGBOBYQAD-IERDGZPVSA-N 442.541 1.696 30 10 IDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1461765814 HXARKWLDWBEBLM-PZJWPPBQSA-N 445.479 1.771 30 10 IDEE COC(=O)c1ccc(OC)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1463488538 DRDGYGDKAMQWDG-SWLSCSKDSA-N 439.490 1.519 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 1470044269 XEKJAIKWAMNQNC-ZDUSSCGKSA-N 434.440 1.441 30 10 IDEE CCNS(=O)(=O)c1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1472617908 GRPAVVBZWUULKV-UHFFFAOYSA-N 431.470 1.503 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H](O)c2ccccc21 1473851175 YLNORXGCOWSZHB-ASTRLGPVSA-N 433.530 1.714 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1501004842 KEILWGNJWJUTKZ-XQBPLPMBSA-N 432.569 1.923 30 10 IDEE CNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1 1503739848 ICPHHYCVKVTULK-NRFANRHFSA-N 425.468 1.364 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1 1507515484 HRDDILPCVJRTQL-HUUCEWRRSA-N 435.550 1.606 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1507533223 LPWFORIWQKHCRO-OAHLLOKOSA-N 433.516 1.659 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1507617105 QRONATSPROSTKV-HZPDHXFCSA-N 446.552 1.571 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1507631118 MHCUZNWWEXDSDS-OAHLLOKOSA-N 447.471 1.607 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1507643494 WBTMMPHWTUYWNT-IAGOWNOFSA-N 427.530 1.527 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507651350 MSRMSLFSCXKDSV-FQEVSTJZSA-N 441.543 1.837 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507732857 YHERDKGOQVMZDJ-HXUWFJFHSA-N 427.597 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1507739715 UUBPANJBWIJYFJ-AQNXPRMDSA-N 429.565 1.809 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507753203 JBUMBFXJJZHNDN-UYAOXDASSA-N 432.638 1.832 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCOCC1 1507982407 MPZQGVIWRJDMMX-UHFFFAOYSA-N 440.552 1.356 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCCC[C@H]2C1 1508072956 LGPCFQWKLPSVRO-SFHVURJKSA-N 440.548 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508081252 IKTWZXDNMCLBIZ-APWZRJJASA-N 428.512 1.543 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nnc1C(C)(C)C 1508099166 VKWAWKMUEGGBNC-RTBURBONSA-N 431.629 1.873 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1508390105 UTIBAANMMHGTLD-GOSISDBHSA-N 436.476 1.612 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508399690 GKGVDXCXBZCUGR-QZTJIDSGSA-N 440.460 1.369 30 10 IDEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@]2(CCOC2)O1 1512389548 SLASPYOJICZPIR-GGGYYKIISA-N 444.536 1.486 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1515098812 FYUUSSDWYIDATB-OAQYLSRUSA-N 442.545 1.358 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1518956485 BUDFHZITQKUSLZ-JOCHJYFZSA-N 427.505 1.994 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1519355195 JOPVPTPUNAIQTC-HXUWFJFHSA-N 426.521 1.975 30 10 IDEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1519509934 OUPYZKMAALDTAM-IRXDYDNUSA-N 431.518 1.353 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1530737066 YXOUMUMYAKLBIT-QGZVFWFLSA-N 437.562 1.322 30 10 IDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1537003736 KRKXLMGXRXGNHJ-KSFYIVLOSA-N 431.489 1.785 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539226015 SGLIXTQAZIXHQU-QUCCMNQESA-N 449.621 1.358 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1539257712 WBACIHHUEKVWEX-UHFFFAOYSA-N 430.512 1.792 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)COCC)CC1 1539445721 CZEPUFQBONMWPT-UHFFFAOYSA-N 428.537 1.824 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1539476988 IMLBKYYMLPBCSY-AZUAARDMSA-N 437.548 1.762 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539496120 CENUAHRDMOBYKE-FRRDWIJNSA-N 439.529 1.889 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539521040 WERIJXCFHDCXNH-UHFFFAOYSA-N 448.618 1.538 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1540007128 YGNAMTLHHSUKNB-ULQDDVLXSA-N 427.571 1.581 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2NC(=O)CC2(C)C)C1 1540896246 JCNMBUXTVFAHAY-BMFAXAFESA-N 433.553 1.698 30 10 IDEE CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1540977633 IKOXVLOJEDOBIS-OAQYLSRUSA-N 428.493 1.500 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](n3cccn3)C(F)(F)F)C2=O)cc1 1542561251 COYVPDWGEOPXRQ-GJZGRUSLSA-N 434.378 1.880 30 10 IDEE CN(CCc1nccs1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554264718 ARVYONIUCDQYHN-VHEBQXMUSA-N 427.534 1.892 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(C)CN(C)C1=O 1555546195 ZICWDYDOKGYDQU-HSZRJFAPSA-N 446.515 1.738 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1555626352 JLANOLRCERNNIZ-OAHLLOKOSA-N 427.571 1.955 30 10 IDEE COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1583832092 MSIZOOZPCBBAIZ-MLGOLLRUSA-N 432.889 1.922 30 10 IDEE CN(c1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1)S(C)(=O)=O 1586138094 WWTKONQOOBIMKA-KRWDZBQOSA-N 426.498 1.623 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1587765468 GYEIMQNAAVDPKW-FGZHOGPDSA-N 444.624 1.817 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1587979046 HJQXIQWYUGUYRU-KRWDZBQOSA-N 434.548 1.689 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1588645815 CJHPOTBBIKKMMR-CEXWTWQISA-N 437.610 1.387 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCOC(C)(C)C1 1595529892 LJHDDCDSWKPLKV-UHFFFAOYSA-N 427.553 1.498 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1595593556 GBYVLLSPPQDHNR-UHFFFAOYSA-N 432.550 1.531 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1595603138 YUMOPSXGOUONSL-MRXNPFEDSA-N 444.561 1.764 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595831212 NWWMDMHZJBOUEH-QGZVFWFLSA-N 444.517 1.265 30 10 IDEE CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1598152256 GMVNXPGJYDYBHR-OAHLLOKOSA-N 442.495 1.369 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1620095166 RGGVSLDUGHFOLV-IHPCNDPISA-N 432.569 1.710 30 10 IDEE CN(CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)C1=NS(=O)(=O)c2ccccc21 1624731088 OYOOUJPRXGEBGM-UHFFFAOYSA-N 434.481 1.822 30 10 IDEE C#CCN(C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1626775325 PZCAKLNNXFCRIL-CQSZACIVSA-N 435.399 1.658 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1627256440 XDGJRXGRZVOXDM-YKWSONSWSA-N 433.461 1.460 30 10 IDEE N#Cc1c(NC(=O)c2ccc3ncc(I)n3c2)nc2n1CCOC2 1627628725 YLEASDGLHCPPEM-UHFFFAOYSA-N 434.197 1.790 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1632250173 PYZDQWJVCRTMNT-ZQHDKMAOSA-N 440.610 1.827 30 10 IDEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1633323776 DNOBQMHIEJSUBF-UHFFFAOYSA-N 430.509 1.625 30 10 IDEE COc1cc(Cl)c(Br)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1633549893 DBJDXOHCYOJHHX-UHFFFAOYSA-N 427.642 1.675 30 10 IDEE CN1CCN(CCCN(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1633795055 SDTDYJFDZSGGBT-UHFFFAOYSA-N 434.382 1.853 30 10 IDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1634053188 MVSUWWFQHSMAGD-SFHVURJKSA-N 447.561 1.173 30 10 IDEE Cn1cc(CNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c(-c2ccc(C#N)cc2)n1 1634174423 GBSBIFLDKRRXNO-UHFFFAOYSA-N 428.518 1.278 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1OC 1634339721 MHAFNJSUBSKNQV-NRFANRHFSA-N 429.498 1.550 30 10 IDEE N#C[C@@]12CN(C(=O)NCCc3ccc(OCC(F)(F)F)nc3)C[C@H]1CS(=O)(=O)C2 1634533647 WNXOWDSQHMMZBD-BBRMVZONSA-N 432.424 1.145 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNS(=O)(=O)c2cccs2)CC1 1636729868 GDZQKWQGMDBHGH-UHFFFAOYSA-N 441.575 1.793 30 10 IDEE O=C(NCCOC(F)(F)C(F)(F)F)NCc1cn(CC(F)(F)F)c(=O)nc1O 1638152128 PUGJGAZZVMQUKI-UHFFFAOYSA-N 428.236 1.482 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1 1639880996 RWCRUSFBUJJFKL-AWEZNQCLSA-N 433.452 1.824 30 10 IDEE C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1639973445 AMBOGBSSVSAQBR-IPELMVKDSA-N 444.532 1.639 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1649538319 BMISSYWRAVGILA-SBUREZEXSA-N 441.532 1.914 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1653037341 YGTLIMLJIFWBLJ-OAQYLSRUSA-N 449.463 1.650 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@@H](O)c1cccc(C#N)c1 1654148818 LVSRYHLMIKRESQ-OAQYLSRUSA-N 442.541 1.057 30 10 IDEE CN(C)CCC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1654363221 JQGSELBCSUQAKY-FGZHOGPDSA-N 431.556 1.577 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3cc(C(=O)OCC)nn3C[C@H]2C)c1 1666222086 SKNKAUHMBQGROB-CQSZACIVSA-N 432.502 1.569 30 10 IDEE C#CCCOC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1666271897 NSCLAMKBCLNKLS-UHFFFAOYSA-N 427.866 1.137 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3ccc(OC)cc3)cc2)CC1 1668926171 UZXDRBRZAMTTIS-UHFFFAOYSA-N 442.541 1.657 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1689875091 JSGAGBPAJLRCSO-MRXNPFEDSA-N 433.582 1.809 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1689946521 ROPVHXAPPSQMDG-CABCVRRESA-N 442.586 1.603 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1690085454 ATBCSYJBBHPBIT-UHFFFAOYSA-N 440.548 1.489 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690153997 GRJNQRVGKBAMPW-SFHVURJKSA-N 444.605 1.623 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C1 1698203043 WALAYWFHJXQZSP-LJQANCHMSA-N 426.521 1.927 30 10 IDEE CS(=O)(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1698304085 IVMZQOGRNATGQW-UHFFFAOYSA-N 434.522 1.571 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705525054 XOCOCYCOBCJHLX-LBPRGKRZSA-N 445.471 1.537 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1705563183 SCGRGRUJDRKBKG-INIZCTEOSA-N 438.575 1.589 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1 1705572315 XMYSSMPMRCIZHC-UHFFFAOYSA-N 435.475 1.418 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1705572381 ZHVKHAFNMIVELQ-VIQHNZTISA-N 426.514 1.159 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)COCCO1 1705627013 QVQIXJIWEMNHIM-QFIPXVFZSA-N 438.488 1.485 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)cccc2C)CC1 1705639011 DHAQWZMZODMZFJ-FQEVSTJZSA-N 441.601 1.795 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCC)CC1 1705648245 TWQCQKUSTJHETD-OALUTQOASA-N 441.580 1.069 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705652812 ONRPFCPOVLVWJZ-UHFFFAOYSA-N 432.594 1.575 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)CCOC 1705666434 FTSMTPSHRUQNAV-JOCHJYFZSA-N 425.537 1.886 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1705709008 JXIUVBMUKFLLHW-IIBYNOLFSA-N 427.505 1.783 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1705731486 VVHZMPRXVSTCOD-CYBMUJFWSA-N 448.387 1.970 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1705907608 RPOBPDZPMZYBBE-SFHVURJKSA-N 426.565 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 1705932888 MYRHTJYUJDPYED-LJQANCHMSA-N 437.953 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1Nc1ccn(C)n1 1705938259 SOJXCNWQTMWDIJ-UHFFFAOYSA-N 427.490 1.807 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C1 1706021119 FXGPCBHSDBKFBB-FQEVSTJZSA-N 433.520 1.683 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1\N=CC=CC1=O 1708475441 ZALPYZMZOIEXAL-UDJKBAMHSA-N 441.536 1.425 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCNS(=O)(=O)CC)c1 1722308978 IKSUKBDVTCSSRP-UHFFFAOYSA-N 444.561 1.541 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722334404 BHLGSRWOVZMZMG-GOSISDBHSA-N 428.562 1.875 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722367478 NLMBORFBDGRSMB-RTBURBONSA-N 435.594 1.285 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1722380794 YKNZRXYOCXUTMH-UHFFFAOYSA-N 445.527 1.616 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1722419957 DXKOESZNJCDMPG-GOSISDBHSA-N 426.496 1.877 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCOC2)n1 1722428654 ZSAWEVJDJMRYMK-GOSISDBHSA-N 438.536 1.588 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2oc(CCC)nc2C)CC1 1722432746 CNCJXMMIGLLEJB-HSZRJFAPSA-N 442.564 1.983 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cccn2)CC1 1722448692 XJZXPVXJUKBVLB-IBGZPJMESA-N 425.537 1.772 30 10 IDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722457254 VEBGQSDXUDWQLT-HNNXBMFYSA-N 437.566 1.969 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1722509384 XDQMCLRIIGGGEC-UYAOXDASSA-N 426.521 1.616 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)nn(C)c2C)CC1 1722566069 JAPMBCSMFFLBMV-GOSISDBHSA-N 449.581 1.166 30 10 IDEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC)C1CC1 1722651159 QLWPKFAYOLSZOB-GOSISDBHSA-N 433.534 1.885 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722697086 FQQUNSDZCMYUGL-IEBWSBKVSA-N 425.537 1.189 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOCC1 1722728209 SCNHFZHKIXQFGX-UHFFFAOYSA-N 428.518 1.568 30 10 IDEE CC(=O)N1CCN(CCn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1722798802 HPRMNRKDNSNEOG-PGRDOPGGSA-N 447.584 1.079 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)no1 1724220819 GOBPLKUDKTUJKI-UHFFFAOYSA-N 445.505 1.059 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1729717789 HPVCOTXOEBDTBP-IBGZPJMESA-N 445.531 1.848 30 10 IDEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1729742143 BICSCGPYCKUHSX-UHFFFAOYSA-N 446.577 1.945 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1730697401 NFCZTYSJYNZZHB-UHFFFAOYSA-N 439.520 1.427 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740592511 YTZVVNMNOWVLNP-QZTJIDSGSA-N 443.577 1.489 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCCC1=O 1740644797 UTUKRPLVFHDQKS-FPOVZHCZSA-N 427.549 1.868 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1740657128 QFOSSSQUKCAXSP-HXUWFJFHSA-N 426.542 1.860 30 10 IDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1740670342 KYDNUFCZYDWIDS-UHFFFAOYSA-N 438.500 1.546 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCOC2)CC1 1740707331 YPNJNCDNFIOBDW-XMMPIXPASA-N 437.544 1.295 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740721120 XLNUDQUKLYOTLG-UHFFFAOYSA-N 436.545 1.217 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740883827 HKLYEZVCPXRFSU-MRXNPFEDSA-N 433.534 1.253 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740987427 GXXRRHYPNXKOOG-INIZCTEOSA-N 442.545 1.475 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740991385 VPZKBVUYRZDBAW-HZPDHXFCSA-N 425.555 1.083 30 10 IDEE Cc1cccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742314818 AIPGDSAJPBKETK-BSBNDGSWSA-N 437.504 1.648 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1748678061 PRBAVEIJNVLSQS-XGNMISCSSA-N 434.500 1.862 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)C(=O)C1 1748760087 SSUXIABOWNGTDT-UHFFFAOYSA-N 428.562 1.988 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1748809593 OFVQFGHYHQGBSD-KRWDZBQOSA-N 430.530 1.617 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1748810107 ZHONRZUUYHEDLF-KRWDZBQOSA-N 428.518 1.449 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1748814254 BUGHOSDSRGGYLQ-ZWKOTPCHSA-N 435.594 1.631 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(OC)CCOC1 1748876812 UGDXLQUAOKSVPW-QFIPXVFZSA-N 432.488 1.189 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1748987424 XLTOZLKKXAHIEV-UHFFFAOYSA-N 438.557 1.621 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC)CC2)CC1 1748990212 WAGNZVCQNCMSFT-HXUWFJFHSA-N 448.637 1.057 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749429390 LCTHKSGNGZICIM-JKSUJKDBSA-N 426.525 1.593 30 10 IDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749642448 GJMPFGXYYYZWPY-LJQANCHMSA-N 440.504 1.818 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccs2)CC1 1749649975 FJDRRZCYAHWNKI-UHFFFAOYSA-N 429.550 1.204 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(C)(C)CN1CCOCC1 1749670518 SIMRQTVULQYVDP-SFHVURJKSA-N 434.585 1.617 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCSCCCO)CCO1 1750388949 UNXWALOONLDBKJ-CQSZACIVSA-N 436.563 1.114 30 10 IDEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cs1 1751426088 YRYFKPKRNMZHIZ-CZUORRHYSA-N 438.579 1.625 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1751778194 DOGDFAZGRANAED-MGPUTAFESA-N 442.549 1.752 30 10 IDEE C#CCN(c1nnc(C)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760180259 BDBLYHIOUJKYMJ-MRXNPFEDSA-N 425.555 1.470 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760186579 OWJFQPRCUIVJRL-SFHVURJKSA-N 449.621 1.896 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1760187637 KSDJPQOHKVPLPU-ROUUACIJSA-N 444.561 1.140 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189356 IFEZNQSBHDOECD-DENIHFKCSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1760209302 CFTZDTWRXSYALY-UHFFFAOYSA-N 437.978 1.846 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1760253651 SWBXGEWLIGXOCS-KRWDZBQOSA-N 448.568 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCn2cc(Br)cn2)CC1 1760268178 DXRUPBSEDINCNM-UHFFFAOYSA-N 446.353 1.781 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C 1760336994 LITFOHYPFIAIPK-IAGOWNOFSA-N 429.587 1.684 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1760504821 CLWMAXRAUURRAE-OALUTQOASA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CC)C1 1760517105 CMGJHEFNANQJAR-MRXNPFEDSA-N 433.534 1.266 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760527726 GTHXBPASRJZYSS-ZHRRBRCNSA-N 445.495 1.683 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)C1 1760593414 VDJNYYAPIPRVGA-GOEBONIOSA-N 427.509 1.860 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)C[C@H]1O 1767921432 GJGKBSBHYWJYCA-RTBURBONSA-N 425.489 1.604 30 10 IDEE CN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1768544084 QSVNOFSTOHGOLO-UFOSLELVSA-N 427.534 1.752 30 10 IDEE CNC(=O)CC1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769270499 JIHCAHSYEACVSF-MRCUWXFGSA-N 443.552 1.356 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1770980966 HOFATYKAKWSRPS-KNQAVFIVSA-N 437.504 1.647 30 10 IDEE C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1849854273 QGCSZWJIRPAJBI-AWEZNQCLSA-N 434.468 1.852 30 10 IDEE C#CCCN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2cc(C)ccc2C)CC1 1851082525 RLHUIVUJVOTKOX-LJQANCHMSA-N 437.631 1.871 30 10 IDEE Cc1cc(C)c(C#N)c(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 1851886146 YMNMVJSKIVECMF-UHFFFAOYSA-N 446.504 1.873 30 10 IDEE CN(C(=O)CCn1cc(Br)cn1)c1snc(N2CCOCC2)c1C#N 1852637451 ROCHTSJRBKSGHR-UHFFFAOYSA-N 425.312 1.863 30 10 IDEE C=CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)CC1 1852653146 FSTJYQDUSLSBGX-JOCHJYFZSA-N 443.569 1.915 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)CC1=O 1854880696 GCYFEXAVGYQPIZ-SJLPKXTDSA-N 433.940 1.411 30 10 IDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2cn3ccsc3n2)C1)[C@H]1CCN(C)C1=O 1857042759 DZTWOTVDWGVZGJ-RDJZCZTQSA-N 429.546 1.422 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cnc4ccccc4c3)C2)CC1 1857062748 PADTWUKDRGNFNO-SFHVURJKSA-N 426.498 1.789 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1CCOCC1 1870434565 SBGCXEUQLHBQIK-UHFFFAOYSA-N 427.457 1.613 30 10 IDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871679077 CIOBAEMNAMKXIK-UHFFFAOYSA-N 431.928 1.847 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3N3CCCCC3)CC2)CC1 1889405474 MCDHDIHKUQCHIK-UHFFFAOYSA-N 439.604 1.944 30 10 IDEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC[C@H](Oc3nccnc3C#N)C1)CS2 1891283871 JLMROYUEMSCZNK-CABCVRRESA-N 426.502 1.629 30 10 IDEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(COc2nccnc2C#N)CC1 1891307281 KPWSNUKJJDFZKC-OAHLLOKOSA-N 426.502 1.568 30 10 IDEE C#CCN(CC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1984786435 PIFGKACMBVWPCB-CQSZACIVSA-N 427.498 1.731 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C[C@@]2(O)COCCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1999431001 QQZSTIMKGMTZTP-IERDGZPVSA-N 440.541 1.430 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CCC(=NO)CC1 2108230288 XVYBTIRFKJRLKL-GAGCMDECSA-N 425.482 1.951 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(Br)cc2C#N)[C@H](O)C1 2197490139 QCFSYSIEEUKDQQ-RDTXWAMCSA-N 440.294 1.992 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2243675311 UTYAMMUEBLFDAI-ZDUSSCGKSA-N 426.344 1.549 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247918041 HVJIIQWSEOQICD-CHWSQXEVSA-N 439.343 1.464 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2255527779 RCRXUEDTXOJQAN-CYBMUJFWSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255534119 CKASQOKUTDWVGB-QLPKVWCKSA-N 429.326 1.976 30 10 IDEE C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2255647314 WVMYAIGHEKLXGJ-CYBMUJFWSA-N 432.330 1.761 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255649273 ILENPIHKEWSTAL-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255654938 FZXCUUMUMJACRH-UONOGXRCSA-N 434.346 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC(OCc2ccccc2)C1 2255736978 XJMNARQRZXGTQK-UHFFFAOYSA-N 448.354 1.140 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)ccc2F)OC1(C)C 2255791589 RSGNHFGMMCYTSP-UHFFFAOYSA-N 430.207 1.875 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843628 JOUHZZDQSDJSJA-GHMZBOCLSA-N 447.288 1.971 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@H]1NC(=O)OC(C)(C)C 2267263305 DLTLBRPFVBEQES-UONOGXRCSA-N 449.361 1.490 30 10 IDEE C[C@@H]1C[C@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2267266477 PUEAMTOWMZWGGZ-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267282257 ANNVLEUHVBDHDC-CQSZACIVSA-N 448.325 1.775 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267282792 HGYKLVCIHKKNGT-HNNXBMFYSA-N 449.357 1.860 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267501610 ADUNPHFMNCEIHS-HOTGVXAUSA-N 446.357 1.943 30 10 IDEE Cc1c(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267506352 WQYFUSJQBZGKEB-HUUCEWRRSA-N 448.373 1.918 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267609372 OZMYBXUALLJSES-LBPRGKRZSA-N 442.247 1.449 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267877871 YJUVXQNWFPYXFM-UHFFFAOYSA-N 444.341 1.715 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2271685101 IZHMDYZOZMOJFK-UHFFFAOYSA-N 447.341 1.435 30 10 IDEE C#CC(CO)(CO)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2290376417 ZAEVLKQREPYYMP-UHFFFAOYSA-N 427.114 1.155 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)c(C)n1 2296613055 PHSFAVIHQGYIGZ-FQEVSTJZSA-N 437.500 1.632 30 10 IDEE COc1ccc(-c2ccc(=O)n(CCNC(=O)COc3ccccc3C#N)n2)cc1OC 13602404 VQTUHDWCUJZWJN-UHFFFAOYSA-N 434.452 1.994 30 10 IDEE C#CCOC[C@@H](O)CN(CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 36161571 DZFDVRXUYBROFD-HOTGVXAUSA-N 433.574 1.959 30 10 IDEE N#Cc1cc(I)c(OC[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 391811614 ZTXLYGGXNDQIMX-LLVKDONJSA-N 433.202 1.143 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460367870 CLAQDDBTJLRNHR-DYESRHJHSA-N 433.578 1.995 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 478752066 CMNHBWJHXYWZAJ-HUUCEWRRSA-N 430.551 1.649 30 10 IDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1=O 482527306 DCGHXWWXLHXMNZ-FGZHOGPDSA-N 437.588 1.994 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC[C@@H]3CN3CCOCC3)C2=O)cc1 488246838 ISAJONBRCARVPS-RTWAWAEBSA-N 425.533 1.555 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCS(=O)(=O)N1CCSCC1 504371237 PSOHJEOKBBTNEQ-UHFFFAOYSA-N 428.536 1.671 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2)c1=O 514332262 BHDYSGYRVQQWBE-UHFFFAOYSA-N 427.526 1.138 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C1CC1 517985177 PQOMLKSXIZBYFV-UHFFFAOYSA-N 439.537 1.299 30 10 IDEE N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1 521807383 JVMZNGXFACZIFJ-GOSISDBHSA-N 427.482 1.766 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)nc1 550873675 DOXJKGJDGNQQIV-UHFFFAOYSA-N 429.484 1.163 30 10 IDEE CN(C)CC1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 557396373 WSJHUVFESZTAQI-UUKMXZOPSA-N 425.533 1.012 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 569053789 HWWCYQJQVWXEOP-GOSISDBHSA-N 435.525 1.807 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1C 589758746 HINIVPAADDHQSG-QGZVFWFLSA-N 439.537 1.188 30 10 IDEE Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)cc1S(=O)(=O)NCC#N 609529845 LSPOGWJONZYTGY-SFHVURJKSA-N 426.498 1.674 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H](C)c1ccccc1 727417903 LCDAGUAUNYXPHX-MRXNPFEDSA-N 437.521 1.768 30 10 IDEE CS(=O)(=O)N(c1cccc(C(=O)/C=C\c2ccc(-n3cncn3)cc2)c1)S(C)(=O)=O 729823853 SAKQKAHRZWSKAP-FLIBITNWSA-N 446.510 1.889 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2scnc2C)cn1 730143408 BLMWYRPYGDAOAX-HNNXBMFYSA-N 449.606 1.868 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 732152947 HXOBDVBYGQBGKZ-ZZEZOPTASA-N 432.502 1.117 30 10 IDEE CN(C)C1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2F)CC1 732706852 SBMUYRUFVAWOOA-IBGZPJMESA-N 442.539 1.493 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 746314250 ASWIWCWCSYVNSG-VLUKHXRESA-N 430.427 1.552 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C[C@@H]1CCCO1 753360126 UEHNVEIKSICXPS-ZFWWWQNUSA-N 443.525 1.322 30 10 IDEE COC(=O)[C@@H](OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1 755188366 ZMDOZOFQIOIKQF-WMZOPIPTSA-N 445.472 1.831 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 761626937 AFWWCKHNAHEHOG-WSRQSJKRSA-N 436.538 1.425 30 10 IDEE CCc1c(C)nn(-c2cccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2)c1C 766652885 ZFEDQRWXJMHOGP-LJQANCHMSA-N 428.514 1.631 30 10 IDEE CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 771430234 FAXKDMSCJYWGTJ-QZQOTICOSA-N 426.521 1.856 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CCCN(CC#N)C2)C1=O 771587022 VYCSGKKHYVQOLB-KSFYIVLOSA-N 427.505 1.122 30 10 IDEE C#CCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC)[C@H]1CCS(=O)(=O)C1 774055711 YPWRAHZUBXEBEM-SFHVURJKSA-N 434.562 1.491 30 10 IDEE C#CCN(C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1)[C@H]1CCS(=O)(=O)C1 774265876 UAPHIMIGIJXNMJ-QFIPXVFZSA-N 444.601 1.551 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 775811874 NAZUYBRCRPIGOB-HFSMHLIXSA-N 445.539 1.991 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C1 780919214 BNWGWNCWSBWNFT-MSOLQXFVSA-N 430.505 1.471 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cn1 784126785 SPBXBBXTARCARE-HNNXBMFYSA-N 429.506 1.372 30 10 IDEE C#CCn1ccc(CN(CCOC)Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)n1 788369686 LKDPRNZWSWAYQJ-UHFFFAOYSA-N 437.529 1.653 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 788813636 ONFPWHLTIFZDFW-HXUWFJFHSA-N 438.528 1.809 30 10 IDEE C[C@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790839597 QOYGHXVQJQBNNK-NSHDSACASA-N 436.287 1.944 30 10 IDEE C[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)n1cnc(C#N)n1 798353221 COBOKHDPKQBCQE-LYGDGENHSA-N 440.441 1.292 30 10 IDEE CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCO1 807248538 AXBMNIMAYLYLBI-KRWDZBQOSA-N 426.498 1.266 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)cc1Br 809124427 APEMWRDRZMDQQM-UQPYNNQESA-N 445.266 1.506 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 812177890 SGZJRSAUUBFRNP-AOMKIAJQSA-N 446.552 1.879 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(CCS(C)(=O)=O)no1 904883447 HGCXDMOHILSEIR-ZDUSSCGKSA-N 426.520 1.627 30 10 IDEE COc1cc2c(cc1OC)CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 919894965 RXDXVQWMDZZYHK-UHFFFAOYSA-N 429.498 1.370 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1 1127138155 CMZWRZPGOADVDL-IKGGRYGDSA-N 429.521 1.912 30 10 IDEE C=CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCOCC1 1130902033 HIOJJVMLDRQSEU-INIZCTEOSA-N 434.514 1.865 30 10 IDEE C#C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C1CCOCC1 1131469750 XWTSQQAAZXCQGC-HZPDHXFCSA-N 438.502 1.154 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nc(CCC)n(-c3ccccc3F)n2)CC1 1136632730 JDBNZWKXQCDMRW-UHFFFAOYSA-N 426.496 1.256 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)C1 1138067817 NTSLPLSTOXQTAX-QYSXUHOCSA-N 431.537 1.836 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1146956359 HXSCVSYPXAXTOS-UHFFFAOYSA-N 425.445 1.752 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 1148719762 GXBDTBXYLYDEJZ-UHFFFAOYSA-N 446.504 1.351 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)c1 1159016193 BWLYWZKXDOBXRC-UHFFFAOYSA-N 429.429 1.895 30 10 IDEE C#CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC 1161365114 OWIFDRJVRDDUQF-UXHICEINSA-N 444.484 1.622 30 10 IDEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1Cl 1189868961 KOSNCVAVGYZTJZ-CYBMUJFWSA-N 446.891 1.754 30 10 IDEE CC#CC[C@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1253301006 IKXLZFLJOUZCKR-GOSISDBHSA-N 438.569 1.698 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 1255069356 DAYZMHWXQZMPMA-LDLYASANSA-N 431.537 1.787 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286323194 GNVNONCFGZDFTJ-IAGOWNOFSA-N 426.525 1.508 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1286324613 QGGIZOQDLAOMMC-HOTGVXAUSA-N 427.596 1.356 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1286369162 FXSIMSSKTZYNPP-QHCPKHFHSA-N 433.516 1.784 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286386862 IRFNBGSRVMAREM-VQTJNVASSA-N 444.557 1.767 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1286448571 YFPALYAUVJHOOG-INIZCTEOSA-N 434.541 1.571 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286611003 FFJIBLHOMPZJMN-LJQANCHMSA-N 443.552 1.404 30 10 IDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CC1 1286647562 JNPRXPVGTHZVAJ-UHFFFAOYSA-N 448.618 1.799 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)CC1 1286822887 OPOAPSMBCWCBQP-UHFFFAOYSA-N 447.561 1.169 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286832325 JYQGHBCFMJPISH-VBKZILBWSA-N 434.566 1.516 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1Cc1ccc(C#N)o1 1288125867 UYMWBFXEJPATRO-MRXNPFEDSA-N 439.520 1.672 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1288530324 FBNSOJWTRVSQIF-QGZVFWFLSA-N 437.504 1.716 30 10 IDEE Cc1ccccc1Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290159127 SBUATDQJMDUMPP-MBOBHEEDSA-N 449.515 1.015 30 10 IDEE CCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cs1 1292736349 BELSDAJWLRPDHK-INIZCTEOSA-N 428.566 1.660 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1293560439 JVVCGFPBFNZLCY-QAPCUYQASA-N 432.550 1.760 30 10 IDEE CCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1293819484 BMDBKTGSRLHHFN-XMSQKQJNSA-N 440.552 1.732 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1296145560 FKOFJVOTTJAXCR-QAPCUYQASA-N 436.520 1.335 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1297777111 HYVNYOKUCHVGGC-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1298025575 FBEOGSCKNLIMAF-FGTMMUONSA-N 427.484 1.400 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1300488669 ULHWSVCBQVORQB-HNNXBMFYSA-N 429.506 1.224 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2([S@](C)=O)CCC2)CC1 1300719903 UYMANCXEFPIKBP-HKBQPEDESA-N 442.589 1.551 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1300870832 ANJLQTURNXIEQP-HKUYNNGSSA-N 432.569 1.702 30 10 IDEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1301079211 BWSOBADNCPVQLV-UHFFFAOYSA-N 429.506 1.300 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2(=O)=O)CC1 1301125942 RAXGGYIFNAKCJZ-IAGOWNOFSA-N 442.607 1.550 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1301297601 QXZSULYIBVRMEL-HOLBHBGLSA-N 427.571 1.977 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N2CCCC2=O)CC1 1301508604 NWIOMNIRPDAYRT-UHFFFAOYSA-N 428.562 1.824 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCCO)CC1 1302999720 CSLYLCUUZOUOCO-LJQANCHMSA-N 426.521 1.379 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCCN(CC(=O)N(C)C)CC2)nnc1-c1ccco1 1303550423 PBEDBKMLMKLRMM-UHFFFAOYSA-N 446.577 1.829 30 10 IDEE CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)o1 1306007550 GPWTXVOKWOFECU-KUHUBIRLSA-N 435.554 1.926 30 10 IDEE CCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306188825 RHFKCKDOGJSQQN-ZCXUNETKSA-N 445.524 1.424 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C[C@H]1CS(=O)(=O)C2 1312316010 MZCZVRAVJUKOOU-IUUKEHGRSA-N 440.884 1.164 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1315034554 WQDYOPJEEUPCPJ-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCCCCO)CC2)nc1 1316533958 KAGKVUKOQBYVQW-IBGZPJMESA-N 425.537 1.928 30 10 IDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1358936433 NASAQSRVIZDDSU-FDDCHVKYSA-N 444.580 1.133 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1358955283 JDASMEVNBYCDNX-INIZCTEOSA-N 433.534 1.465 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359003471 MJJMUGDVAVKQTK-HNNXBMFYSA-N 432.506 1.594 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1359018523 SNVAHIVBSVCMKM-QHCPKHFHSA-N 440.548 1.300 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1359064117 LHQHUJXMNFMHRD-QLVMHMETSA-N 429.546 1.884 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359208614 PTBRIMKPGNNJQT-MSOLQXFVSA-N 439.630 1.071 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359334432 FNOYXLMZSIGYEN-KRWDZBQOSA-N 444.623 1.625 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCOC1 1360237359 BXOFYIQTHUXIBZ-SFHVURJKSA-N 438.536 1.436 30 10 IDEE Cc1ccc(C(=O)NCCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1361119533 CHWYJYDZABXGDX-UHFFFAOYSA-N 447.547 1.565 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)C1 1444734671 UNWDRLOBMSSXRQ-DJJJIMSYSA-N 446.305 1.251 30 10 IDEE CN1CCO[C@@H]([C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1447133797 APXOFYYNGANQDU-AEFFLSMTSA-N 431.880 1.052 30 10 IDEE C#Cc1ccc(CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1449797808 LCCDZUMHKZQLSH-HXUWFJFHSA-N 427.526 1.514 30 10 IDEE COc1ccc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)cc1 1457878611 QJLCQOWEDLQGQX-QGZVFWFLSA-N 428.514 1.488 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnc2c(cnn2C)c1 1464517701 SYCIRJMGDIKLPX-UHFFFAOYSA-N 433.534 1.992 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cs1 1492681832 IEMLMZIJQPDAJL-HZPDHXFCSA-N 436.563 1.330 30 10 IDEE CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1501881331 GEMKCEYDKHLJKA-UHFFFAOYSA-N 433.534 1.515 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1507538047 KFYMKMCUGNJGEZ-BZUAXINKSA-N 432.525 1.323 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507630214 UTPPCPWMMNDXFL-ROUUACIJSA-N 428.562 1.451 30 10 IDEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507938436 CHGDWYRJJQSMAV-INIZCTEOSA-N 429.550 1.137 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1508076772 VPPCMFFNTWCBTN-OAHLLOKOSA-N 445.499 1.321 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508079390 TYAYBBOOKYVRKL-KRWDZBQOSA-N 434.460 1.388 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1508094418 XUTBPPYFVYBERT-IBGZPJMESA-N 431.629 1.774 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1508144002 MCNLFCGWPIKJAU-SFHVURJKSA-N 446.577 1.360 30 10 IDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1513056427 BSNIZVKGUZOFON-WBVHZDCISA-N 432.550 1.819 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1515957905 DLKRJWLIZGHWGL-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE CCOCc1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516554498 VEJPKUGUVWNHPR-UNEBPCJRSA-N 443.552 1.406 30 10 IDEE CN1CCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc2)CC1 1536924576 IHCFEDXUKSFOFS-UHFFFAOYSA-N 441.557 1.560 30 10 IDEE COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537005811 MXBZVZCIHCKDNQ-YVEFUNNKSA-N 425.488 1.344 30 10 IDEE CCC(C#N)(CC)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1537118759 OTVFDFYIEDXXLK-UHFFFAOYSA-N 431.536 1.237 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1OC 1539001622 GDOANUVXGULNPZ-LZLYRXPVSA-N 446.577 1.748 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1539123997 BADBILOJTFNISL-ROUUACIJSA-N 449.552 1.852 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539212782 XYALXUXVVKWNMR-AZUAARDMSA-N 443.573 1.293 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCNS(=O)(=O)CC 1539563107 GNNYNIXVEKLTOZ-OAQYLSRUSA-N 431.562 1.831 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2nccs2)C1 1540872989 IPYZKQRJSUYENJ-HNNXBMFYSA-N 445.574 1.970 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1 1541118517 BVIAXYHOOZJBOY-OAHLLOKOSA-N 445.549 1.114 30 10 IDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1545124977 CHUMAOOVSYSCJW-QZTJIDSGSA-N 426.521 1.675 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1555806256 DWIYIYHYGPLMIB-IRXDYDNUSA-N 428.518 1.109 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c1 1557167687 VUDXCBBAIUXWAT-UHFFFAOYSA-N 425.510 1.913 30 10 IDEE CC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1564421891 SBBBVLZPDMAADV-MGPUTAFESA-N 440.566 1.603 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cc[nH]n1 1567855864 XZGOIPWKAPHFNI-OAHLLOKOSA-N 437.497 1.455 30 10 IDEE Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(=O)oc2ccc(Br)cc12 1585295560 HEYCKTCDPBFRCT-UHFFFAOYSA-N 445.229 1.428 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1588244314 FPPFPBJPFATQKQ-WBVHZDCISA-N 445.951 1.623 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1nccc(C(F)(F)F)n1 1588574853 UOXGMPKSTVPTRI-UHFFFAOYSA-N 439.442 1.554 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1588613061 RHSCSONLOWGGAT-UHFFFAOYSA-N 433.520 1.269 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCC(=O)NC2CC2)CC1 1588908314 OMHRZIIYNDLHBT-UHFFFAOYSA-N 434.544 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CC(OCC)C2)CC1 1588923477 APAQIBZDMYIIEL-NKELODKYSA-N 442.564 1.400 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1593887353 YTGUSBRFRDOHGK-CABCVRRESA-N 429.974 1.674 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(c2ncccc2F)CC1 1595522995 LUAMROSQWBYMGS-UHFFFAOYSA-N 438.511 1.837 30 10 IDEE CC(C)c1ccnc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1611030126 LJXQIRTZDFQQIQ-UHFFFAOYSA-N 431.493 1.999 30 10 IDEE Cn1nc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C(F)(F)F 1616988470 ZESBFZGTCMHBBF-AWEZNQCLSA-N 434.378 1.832 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1618948507 WZCRJPHGLKSKKM-BTYIYWSLSA-N 426.477 1.795 30 10 IDEE COCCCN(C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1619838811 YDPWHSJTCDPQDP-QFIPXVFZSA-N 440.527 1.927 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1620053526 OPVSRFDPZWPFST-RTBURBONSA-N 438.532 1.973 30 10 IDEE C#C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCCC 1628627900 HGJFTVBTTTZJGD-KRWDZBQOSA-N 446.573 1.664 30 10 IDEE CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1633526628 YGSZPFGYSAFSSC-HTAPYJJXSA-N 431.489 1.823 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H](CO)CN1CCCC1 1636962666 WONABCVNXUMMSX-QUCCMNQESA-N 428.533 1.965 30 10 IDEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637512822 GVQHSGADQNLLSH-UHFFFAOYSA-N 436.424 1.260 30 10 IDEE CCCCN(O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1639067235 PUHCCTQUQLOBBH-UHFFFAOYSA-N 431.942 1.971 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(F)=C\c2ccc(F)c(C(F)(F)F)c2)CC1 1643372733 YUXDNADVYXPMSW-RVDMUPIBSA-N 437.390 1.767 30 10 IDEE C#CCN(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1644788384 RIDBXEWHRWKUOS-UHFFFAOYSA-N 431.537 1.633 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1647999002 WUEQMJWBKBGDJD-RTBURBONSA-N 442.516 1.974 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1656530044 NKFYBWWZVRCBBW-LIRRHRJNSA-N 440.443 1.728 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 1662923693 IBSAHBDBHNLBQH-UHFFFAOYSA-N 440.831 1.856 30 10 IDEE N#Cc1sc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)nc1Cl 1678315383 FMGCANPHSRFUJL-UHFFFAOYSA-N 446.864 1.651 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1681514582 AEUPEEXQVURNJE-SFHVURJKSA-N 437.504 1.960 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1cncn1 1689847505 AYRKBMYMMMXMTA-MRXNPFEDSA-N 431.504 1.815 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1689854864 JKKGHZQDGOEBQO-RNQSCQIESA-N 438.576 1.992 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1689929673 BOWOWFBVHCIUBO-SJORKVTESA-N 448.618 1.933 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689986656 UQXOSTILQZYZLV-HRAATJIYSA-N 432.521 1.872 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689992487 LFYNSKKWQBCFKG-WIYYLYMNSA-N 429.546 1.052 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1scnc1C 1690659659 ZLALYXUCLWIHMX-UHFFFAOYSA-N 426.506 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(F)cc1 1690723097 HRBAJDTZYTXIME-QGZVFWFLSA-N 435.525 1.996 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCSCCCO 1693553222 XMHZRHGJGGKQNC-INIZCTEOSA-N 444.561 1.511 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1695442379 AXRVBEAWVJXXRG-UHFFFAOYSA-N 435.492 1.175 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)CC1 1695930723 GSUZNLWNMOZNPG-FQEVSTJZSA-N 435.532 1.768 30 10 IDEE COCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cs1 1697829368 HCECLLOJUHZBNY-VXGBXAGGSA-N 427.556 1.135 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1697997218 NGIQDMPNDCONQS-GOSISDBHSA-N 437.504 1.620 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)F)C1 1698483409 BNBNZONVVRDCQH-HXUWFJFHSA-N 444.421 1.954 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(Br)cn2)CCO1 1698492659 DXJYYMOBUWPXFU-UKRRQHHQSA-N 436.314 1.560 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705476219 TYADDWRFARCOCY-GJZGRUSLSA-N 430.475 1.527 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1705561724 SSLNDSWOOPPSJX-UGKGYDQZSA-N 441.557 1.995 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](COC)OC 1705574894 RDPYORLDPYIFCY-QGZVFWFLSA-N 444.561 1.281 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1705581902 OCTPFANESAQVRZ-QHCPKHFHSA-N 432.532 1.003 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1705613400 ZMSOFWZJFWEBBI-AWEZNQCLSA-N 425.461 1.684 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC[C@H]1OC 1705623673 ZTHGLDRDMVIPKX-IEBWSBKVSA-N 429.477 1.991 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705664804 BQEZHMQKNKASPS-DYESRHJHSA-N 435.594 1.777 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1705694424 QRWWCWQLIDUXRL-MDZRGWNJSA-N 439.520 1.574 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705704481 VFJSANGQOINXFG-NSHGMRRFSA-N 428.537 1.606 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705824963 FQRNDAGFTRDKEN-UHFFFAOYSA-N 432.569 1.990 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705935105 HLHQFBHMASJKRI-FUHWJXTLSA-N 447.536 1.324 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1706038497 FAQJSZYTKBGNOF-HOTGVXAUSA-N 446.533 1.046 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](F)COC 1708733855 JJZLRSBRHCWSHT-OAHLLOKOSA-N 445.499 1.716 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CCOCC2)CCOC1 1710484881 WNKQLGYZVCUAKX-KNQAVFIVSA-N 449.552 1.492 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1CC 1722285694 YQBXAENDAMGWAK-AWEZNQCLSA-N 426.912 1.979 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1722618379 QIODYNXEHKGJKU-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722725808 SPJWCWODSBUSGZ-KRWDZBQOSA-N 432.550 1.246 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1723773372 FDCOQNYBPNXYAD-YCRPNKLZSA-N 440.529 1.781 30 10 IDEE C[C@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1726733474 BCRMTADYSSUUBV-WSTZPKSXSA-N 425.537 1.492 30 10 IDEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1728118947 GPGPNTOBXUECBL-GOSISDBHSA-N 428.562 1.783 30 10 IDEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1730116906 SQCUCMNPZGCOEH-YADHBBJMSA-N 426.496 1.992 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1730482292 AHHLHBHDWVGQPR-YLJYHZDGSA-N 433.509 1.816 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Br)cn1 1740609582 PZASBSDULUTCMR-UHFFFAOYSA-N 432.282 1.734 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1740624028 CJYJFDFTGRDBKI-SFHVURJKSA-N 426.546 1.943 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740627649 RQXIFZWVAKTBRS-HKUYNNGSSA-N 432.521 1.791 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCOCC1 1740667922 VDRBBHUQXUSXIU-QGZVFWFLSA-N 445.593 1.418 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1740671207 BAVGPCMFGNRYPX-IBGZPJMESA-N 447.561 1.518 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740766434 HYEYDKKQQNQNHP-VQIMIIECSA-N 441.598 1.656 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)CC2CC2)CC1 1740833051 KKTYPINSUNQDID-CQSZACIVSA-N 445.611 1.116 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740868597 OCDNSPNTLHUYKM-OAHLLOKOSA-N 426.587 1.549 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740963839 YNQHOJZWDJPGSY-QFIPXVFZSA-N 443.552 1.216 30 10 IDEE C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1741855998 LXHNAFKTWIBDJN-IXDOHACOSA-N 449.556 1.265 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCS(C)(=O)=O 1747129963 KTXRGYPJXGNMPF-UHFFFAOYSA-N 448.549 1.564 30 10 IDEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1747142755 FUUQVPNWGSONLW-AVRDEDQJSA-N 431.585 1.887 30 10 IDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1747648350 VURNTQYDVAFTTB-QBNCKDSPSA-N 439.545 1.732 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@@H]1C 1748345348 OWHIRZGZMAEOAY-AOMKIAJQSA-N 440.504 1.899 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CC[C@H](CO)O2)c1 1748692437 HMPMECTUCXLDQW-RBUKOAKNSA-N 447.499 1.331 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1748698987 KQGMJQZJYYCCRB-ZWKOTPCHSA-N 449.581 1.102 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1749213321 IXIIVMPKTUFRIX-BBWFWOEESA-N 428.603 1.400 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)CC1 1749342559 IQFMYDQZSHIWAL-SFHVURJKSA-N 435.550 1.963 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2n1 1749488376 JLKVFMGPPZMGHU-QGZVFWFLSA-N 445.549 1.124 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1749638856 DGOWQFYEAPXMJX-INIZCTEOSA-N 432.550 1.619 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749725404 SOWDVNGZZQHQMK-UHFFFAOYSA-N 447.561 1.942 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1749736261 HJJJSLBFUKZKSE-SFHVURJKSA-N 449.552 1.714 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](F)COC 1749967180 PSOYRJOLSSFXTE-XJKSGUPXSA-N 434.472 1.522 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760114857 VAJHWSDIKOBCHA-HKUYNNGSSA-N 435.532 1.036 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1760157203 IGRIDZAWQXKZST-UHFFFAOYSA-N 433.578 1.752 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760217133 PZMZBSKCMNGMOW-SFHVURJKSA-N 449.481 1.795 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1760495553 RARONZGQQMNWRY-QGZVFWFLSA-N 440.533 1.383 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](CN3CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1760528580 HABJHTDAJVQGMY-XXBNENTESA-N 446.596 1.545 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760554827 NZSWSKNVXZEWTI-UHFFFAOYSA-N 446.577 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760554833 ODLLKQIPBILNNN-CABCVRRESA-N 434.628 1.725 30 10 IDEE COc1ccncc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1769007679 AGCAMCCHOXWOHI-MRXNPFEDSA-N 430.534 1.762 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1770741084 VSRRYSJUBYIFRZ-IRXDYDNUSA-N 430.415 1.882 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1771040111 PPMVDMREHNHNSR-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1771063364 JWBZTILFXVXAOI-HSZRJFAPSA-N 441.532 1.990 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCOCC2)CCO1 1771539035 LRIMPRKMKYAGLR-HXUWFJFHSA-N 444.511 1.837 30 10 IDEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1850297199 UQTAHSGNAFUTOT-SFHVURJKSA-N 427.929 1.848 30 10 IDEE C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854418191 CBRJVBLHCSOAQS-OAHLLOKOSA-N 437.493 1.820 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1854466494 KWRJSCKRZPZNMR-ROUUACIJSA-N 435.521 1.780 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cn1cncn1 1854529614 MDDQLJGJNWHOAM-MRXNPFEDSA-N 429.502 1.513 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2nccc(Cl)c2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642647 UHWNIAPUFICNHB-NSHDSACASA-N 436.852 1.808 30 10 IDEE N#Cc1ccc(C(=O)CN2CC[C@H](N3CCN(C(=O)[C@@H]4CCCS4)C(=O)C3)C2)cc1 1856107781 HYXQXGLMDSNBTO-ICSRJNTNSA-N 426.542 1.382 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)C1(C)C 1856115766 NKPWKHZDPQEDCC-INIZCTEOSA-N 438.550 1.470 30 10 IDEE COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)C1 1858319353 HLFVAFLWJMUJSD-QGZVFWFLSA-N 449.554 1.925 30 10 IDEE C=CCNC(=O)[C@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861612209 MSTGIGPHIDCQMJ-WMZOPIPTSA-N 447.557 1.756 30 10 IDEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCNC=O)C2=O)c(OC)c1 1863415989 LKOXBEWKCIBBDF-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE CC(=O)N1CCN(C(=O)[C@@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)CC1 1869929307 FZOJBWXUANKROQ-IBGZPJMESA-N 426.498 1.157 30 10 IDEE CC(=O)Nc1ccc(-c2nc([C@H](C#N)C(=O)CN3CCN(CCO)CC3)sc2C)cc1 1872797178 BWTZKOAAVDHVTM-LJQANCHMSA-N 441.557 1.863 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873561212 UDZQAQUTSBKTJS-QZTJIDSGSA-N 426.565 1.850 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874274615 NVIIFIWNJOTSQV-UWPAOYMWSA-N 445.505 1.760 30 10 IDEE C=CCC1(NC(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1910918592 WBFWJUHDVCXFBD-KKUMJFAQSA-N 441.525 1.009 30 10 IDEE C=C[C@]1(CO)COCCN1C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2022245090 BGTPRVGRYIRYFP-XXBNENTESA-N 433.549 1.788 30 10 IDEE CCO[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2164487534 NLCMZHRJZNNGKG-VQIMIIECSA-N 441.481 1.282 30 10 IDEE N#Cc1ccc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)c(F)c1Br 2174810853 QZTZPJRLNUIGJS-BDAKNGLRSA-N 437.191 1.819 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(C#CCCO)c(F)c1F 2239848820 XSLVQIZMVMCVAL-UHFFFAOYSA-N 434.420 1.737 30 10 IDEE CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243677851 ARMWLOFYCFGIDH-NSHDSACASA-N 426.348 1.891 30 10 IDEE CC(C)(C)OC(=O)NOCCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684683 FJYBWJCZXRGMRL-UHFFFAOYSA-N 428.320 1.434 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2255675352 ZTNVAOWPRQOTKL-INIZCTEOSA-N 434.342 1.910 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255826106 KKTXTNBKAVOXBT-UKRRQHHQSA-N 434.346 1.752 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)ns2)OC1(C)C 2255837587 RQCHUGHJLDWQES-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE Cn1ncc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2256928580 KZWPAFZCQUFFQN-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267009553 NANGDBADYKJCSA-OALUTQOASA-N 436.365 1.923 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267128445 QWCUHDGYRVPIBA-CABCVRRESA-N 448.373 1.952 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2267541518 FDDVYFJKRYOPEE-MJBXVCDLSA-N 447.345 1.242 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267546592 YUDOPSUVIBADHR-KBPBESRZSA-N 449.361 1.347 30 10 IDEE C=CC[C@@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)F 2270529567 XBVSOZTWIXVRBJ-RDTXWAMCSA-N 434.461 1.974 30 10 IDEE C=CCCC1(C(=O)O)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2281053654 PPADAFFGGCTDKB-LJQANCHMSA-N 438.477 1.693 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 2315601338 CHFVHXSUKKWBFG-CQSZACIVSA-N 434.346 1.849 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1OC 20292826 FWQJGEFGWCHBRY-FBCYGCLPSA-N 448.534 1.951 30 10 IDEE CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(C(=O)c2ccc(C#N)cc2)CC1 23425486 MEJCWDCGCUGXFS-UHFFFAOYSA-N 447.499 1.763 30 10 IDEE CCCCNC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@H]2CCCO2)CC1 46022161 LRZRHPMMQZOTJD-HXUWFJFHSA-N 445.564 1.675 30 10 IDEE COc1ccc(OC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59888379 YQGSKZWYTKASSU-KEBDBYFISA-N 445.505 1.763 30 10 IDEE CCOC(=O)/C(=N/Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1)C(C)=O 100206425 OAVKEHHRQONICT-XMHGGMMESA-N 425.492 1.821 30 10 IDEE Cc1nnc(N/N=C(C(=N\Nc2nnc(C)n2N)\c2ccccc2)/c2ccccc2)n1N 100387637 AVAINYLDBKRJMH-WTHRLWDASA-N 430.480 1.247 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccccc3O)o2)c1=O 101350998 BTQKWJLENHJINY-UHFFFAOYSA-N 429.458 1.441 30 10 IDEE CCOc1ccccc1N1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@@H]21 254759840 RCLWSVRTJVJDSD-DZGCQCFKSA-N 426.516 1.942 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 461317425 JEXRTGZMQFUXOR-INIZCTEOSA-N 441.579 1.360 30 10 IDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)[C@@]3(C#N)CCOC3)cc2)C1 471945241 VXDITWHDYHXGFR-JTDSTZFVSA-N 441.575 1.656 30 10 IDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 472578111 FIKSGZXCSPMWCN-LBPRGKRZSA-N 433.465 1.482 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1cncn1C 475109494 LJPZFFTYBDPHFV-XMSQKQJNSA-N 435.532 1.725 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 480071932 QAUFUCSSGGJXME-HOTGVXAUSA-N 432.488 1.367 30 10 IDEE COc1ccc(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 481106367 AAZQIPMAQRYOIV-OAHLLOKOSA-N 431.514 1.991 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c(C#N)cn1CCOC 481495544 TZIJIKCPEUPIIH-MRXNPFEDSA-N 447.492 1.084 30 10 IDEE Cc1ccc([C@@H](C)[C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 493001746 BCVIQBUDOPTRQS-DYESRHJHSA-N 427.526 1.864 30 10 IDEE CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CC1 503268119 DCRXWRUTFIUVCS-LJQANCHMSA-N 434.382 1.795 30 10 IDEE C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N/OCC(=O)O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO 504679465 WXAWNCDYPXVODT-GEEQKHSFSA-N 435.517 1.670 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)COc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506815234 CBIQVNUNVBMEBB-FQEVSTJZSA-N 436.516 1.319 30 10 IDEE C=CCN(CC(F)(F)F)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 519902344 SFTDRMZJNBUBKU-UHFFFAOYSA-N 447.479 1.877 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCN1CCOCC1 523256466 JHTJVSSDRURQTP-GOSISDBHSA-N 439.581 1.669 30 10 IDEE Cc1nsc(N2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)c1C#N 580133580 RMQPEAMUMHRGOG-UHFFFAOYSA-N 444.586 1.491 30 10 IDEE N#Cc1cccc(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc4nc(O)oc4c3)C2)c1 586071694 CPNIOCYLNADABQ-HNNXBMFYSA-N 426.454 1.988 30 10 IDEE N#Cc1ccc(Cn2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2=O)cc1 586551889 IRDPMYHASQAGTI-UHFFFAOYSA-N 436.493 1.388 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 590914094 XXEMXLOJWJRRPT-KRWDZBQOSA-N 441.553 1.373 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)ccc1F 609199093 BJGVAQXIKJNXJU-OAHLLOKOSA-N 441.481 1.968 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CCN1C1CC1 732707126 UXTDWYMTCCRWBH-CYBMUJFWSA-N 429.374 1.498 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc3c(c2)CCCN3C)CC1 734749998 IEZREOQCJLTYJX-UHFFFAOYSA-N 428.562 1.846 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)c1 740199147 MKYONUDWYLXSEI-LJQANCHMSA-N 446.481 1.863 30 10 IDEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(C#N)cc1 740238326 MGRZSZFFDHYDQV-KRWDZBQOSA-N 449.510 1.695 30 10 IDEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N(CCC#N)c1ccc(F)cc1 741341442 BVEMXILSUITVIS-YISVQYQQSA-N 428.420 1.921 30 10 IDEE COc1ccc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1C#N 746774850 DDLYQJRVVDTEHQ-QGZVFWFLSA-N 434.452 1.773 30 10 IDEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N 746985651 TWPJDFHFRVRJBM-UHFFFAOYSA-N 432.454 1.750 30 10 IDEE C[C@H](NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 753966093 GUUXMKROIMTLNU-MUQPTAPYSA-N 428.489 1.529 30 10 IDEE COC(=O)c1cccc(COC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1C#N 755190289 QFEKQIXGOAJOBL-QGZVFWFLSA-N 445.472 1.904 30 10 IDEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 760626197 IOYFEMHKANIZFA-PBHICJAKSA-N 444.513 1.189 30 10 IDEE C=CC[C@]1(C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCCN1C(=O)OC(C)(C)C 790694022 AMIYSQXBOWRXEB-JOCHJYFZSA-N 431.537 1.775 30 10 IDEE C[C@H](CS(C)(=O)=O)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790756663 GYPKYHZAIUHTJA-OCCSQVGLSA-N 446.620 1.181 30 10 IDEE CC(C)c1nn(C)cc1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 797393692 UQMZTNSTCMLQQA-ULJHMMPZSA-N 446.533 1.934 30 10 IDEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)CC1 800438896 KPOTZLGWOYFEDY-FQEVSTJZSA-N 427.549 1.453 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 802553181 BZBQZCVZPJTYCY-UHFFFAOYSA-N 427.509 1.742 30 10 IDEE Cc1ncc(S(=O)(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1C#N 813697455 BQYTUTVAVXEHLP-UHFFFAOYSA-N 447.476 1.951 30 10 IDEE CN1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@@H](c2cnn(C)c2)C1 849498376 SPTQVQSRCQVZEN-TZIWHRDSSA-N 446.559 1.844 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC([C@H](O)c2cc(F)ccc2F)CC1 1142034241 ODCZDNYENXJIBY-FQEVSTJZSA-N 449.479 1.976 30 10 IDEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)C1CCOCC1 1148194030 ILDVXSICAVQDAX-MSOLQXFVSA-N 440.949 1.418 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 1148929980 YXZLGJAWFBTKLQ-DOMZBBRYSA-N 431.436 1.127 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)C2=O)cc1 1154116250 CCQAIOSWGHQBJB-ROUUACIJSA-N 439.493 1.795 30 10 IDEE O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N[C@@H]1CCN(O)C1=O 1159325441 WDUZMMYPJWWHKO-LSDHHAIUSA-N 435.481 1.462 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1180032527 LWHLLGBABRWNGX-MAUKXSAKSA-N 429.498 1.516 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OCC 1193572638 FNANSWYTTWOGJC-MRVPVSSYSA-N 447.682 1.377 30 10 IDEE CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CN(C)C 1226111062 HGRLKKXUIORAMQ-SFHLNBCPSA-N 426.565 1.434 30 10 IDEE C=CCc1ccc(OCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)c(OC)c1 1275707742 XFJOLMPPSJWNCK-MRXNPFEDSA-N 439.530 1.770 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286346333 RNJLVUYHYUDHEY-QGZVFWFLSA-N 445.545 1.648 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1286387858 VJELKAYVHSSTIP-KRWDZBQOSA-N 439.545 1.365 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286393997 NGKANKOFMFEDNY-QGZVFWFLSA-N 435.594 1.410 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1286414894 DRVCVGAXWVLWQP-UHFFFAOYSA-N 426.521 1.340 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NC2CCCCC2)CC1 1286494657 VWDYBILWBPGXRP-SFHVURJKSA-N 442.564 1.197 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286611341 JPJCPRMCSSJKLO-IRXDYDNUSA-N 432.525 1.585 30 10 IDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286612614 HRNKLEFWGKJSAE-KRWDZBQOSA-N 430.484 1.803 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286621855 JNTMDMDGQQODKO-JKSUJKDBSA-N 427.933 1.582 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCOC2)CC1 1286664140 URCCCGPNOARQQM-MSOLQXFVSA-N 439.582 1.440 30 10 IDEE C#CCn1cc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cn1 1297369036 BOJCDORKUBOYHS-UHFFFAOYSA-N 438.465 1.976 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1298086458 DQHYIXAPAFRYFE-WOJBJXKFSA-N 426.521 1.847 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1298128927 ZTZYLRRVIAFDEE-YLJYHZDGSA-N 431.518 1.246 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1299006755 MOHYTABXQTWYLL-XPNMMBGKSA-N 429.525 1.064 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300479539 ORZJLOXHIUKYEZ-INIZCTEOSA-N 442.545 1.742 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1300502674 VUMODKKNOYNMBV-SFHVURJKSA-N 449.602 1.853 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2COCCO2)n1 1300680803 FHWGQLULJQWDBE-PMACEKPBSA-N 444.536 1.418 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(C)(C)O)CC1 1300695662 FDSMJFLUOPQEAE-UHFFFAOYSA-N 445.593 1.154 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)CC1 1300710451 BDWYFSXWRSZHTJ-KRWDZBQOSA-N 445.568 1.241 30 10 IDEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300767602 AMMMVJIASXQMRP-LJQANCHMSA-N 427.574 1.771 30 10 IDEE C#CCSCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1300778400 VILGLLBRSHEGTF-KNQAVFIVSA-N 449.621 1.455 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1301043827 DVNIICJVVQLILA-CQSZACIVSA-N 446.986 1.765 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1301845803 ADPUDJFFFCXACG-MRXNPFEDSA-N 425.537 1.784 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1314548204 JMVDEYLRUBGUIS-UHFFFAOYSA-N 427.534 1.886 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3ccccc3C#N)CC2)CCS(=O)(=O)CC1 1357548236 SGZPMTNWYDTZLU-UHFFFAOYSA-N 447.557 1.744 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cnn(C)c2)c1 1358902372 LULVVKCKTCSPQK-UHFFFAOYSA-N 429.488 1.517 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1359010147 HPIGRVXRGONOKN-HXUWFJFHSA-N 445.589 1.930 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2Cc2nnn(C)n2)CC1 1359032839 FPNSVOFPJZEUIF-UHFFFAOYSA-N 449.563 1.697 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCC(=O)N1CCOCC1 1359063503 VHZAZENJFIFLDY-JOCHJYFZSA-N 430.553 1.438 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nnc(C)s1 1359239994 CPUOQVBIMSLSMR-AWEZNQCLSA-N 441.583 1.026 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCCCC2)C1 1359292558 SBMAUSZIWXMXHS-UHFFFAOYSA-N 439.520 1.767 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)ccc1F 1359331995 MAFALZJLQSRPPO-QGZVFWFLSA-N 435.525 1.914 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1450981787 ARZWYVXUZMGLLI-INIZCTEOSA-N 429.477 1.746 30 10 IDEE Cc1cnc(OC2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)nc1 1452652710 FYHLVKKAZFAEQK-IBGZPJMESA-N 448.483 1.932 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3nc(O)c(C(N)=O)cc32)c1 1464030397 KHNFNHYGZWNROV-QGZVFWFLSA-N 427.482 1.491 30 10 IDEE N#CCCN1CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1464914223 GFKKOPDIIKKGOI-UHFFFAOYSA-N 441.941 1.424 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1 1469509189 HLDFANBMEQSRDZ-UHFFFAOYSA-N 445.261 1.790 30 10 IDEE Cn1nccc1[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OC(C)(C)C 1469768813 BXBTYFCTGUYVFL-MRXNPFEDSA-N 436.465 1.669 30 10 IDEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1470031961 BUAZKKTTYGABBJ-HNAYVOBHSA-N 437.422 1.512 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1 1471305017 HEGOUJQMFSEORG-UHFFFAOYSA-N 435.528 1.953 30 10 IDEE 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CCCNC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1764584774 VNJBXBHEOAUEAR-PGRDOPGGSA-N 445.568 1.021 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(C(=O)NC)c2)CCOC1 1765817381 DNMKVJKRZKLABW-KSFYIVLOSA-N 426.521 1.934 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1768526284 LXITVEYQLPJTEM-IBGZPJMESA-N 443.577 1.383 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1768634636 TUAGUYBUAKQXBX-HXUWFJFHSA-N 438.532 1.929 30 10 IDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1)S(C)(=O)=O 1768789049 HAZGKHNWLJSLGU-QGZVFWFLSA-N 444.561 1.449 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1772566596 KJEVQEDODYRTGW-BBWFWOEESA-N 445.568 1.053 30 10 IDEE N#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(=O)c2ccccc2)CC1 1848458805 NNHIAOUXXMOHDC-UHFFFAOYSA-N 440.525 1.254 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)[C@H]1C 1854258735 MSTKAARXJWSHNA-DYVFJYSZSA-N 443.928 1.878 30 10 IDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)[C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 1855747465 RLOXFGVPTCQFSO-VQTJNVASSA-N 429.542 1.580 30 10 IDEE N#Cc1ccc(C(=O)N2C(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 1856891512 CUGVEGBKZPECIL-UHFFFAOYSA-N 425.466 1.699 30 10 IDEE CC(=O)NCCC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1cccc(C#N)c1 1866803347 SPXULYFRMQCOLJ-OAQYLSRUSA-N 436.468 1.676 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 1866805840 NPJYPPYEKSWWON-AWEZNQCLSA-N 442.497 1.824 30 10 IDEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN(CCO)CCO)cc1=O 1870387753 RMYVILOUNDJVSQ-NRFANRHFSA-N 431.533 1.208 30 10 IDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561795 YWBAXBMKEJPGSE-UHFFFAOYSA-N 439.564 1.452 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)cc1 1890581287 CAAIMVZQXZARIM-UHFFFAOYSA-N 449.617 1.896 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)CC1 1891084684 IIDQASXXDQJHIT-NRFANRHFSA-N 440.588 1.453 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1892325882 WAOYQBKETZSJKB-HDICACEKSA-N 433.530 1.147 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2081009470 OGRXQYGVWFJARN-ARFHVFGLSA-N 438.330 1.118 30 10 IDEE COC(=O)C[C@H]1CSC(=NCc2nn(C)c(Cl)c2I)N1 2174387835 IENIMMGHWKRDTJ-LURJTMIESA-N 428.683 1.802 30 10 IDEE COc1cc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1C#N 2195271400 IKDVLUQGCJRBCQ-KRWDZBQOSA-N 432.454 1.861 30 10 IDEE C=C(CN(C)C(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248445235 JWRGWQRKIBNJDK-AWEZNQCLSA-N 425.335 1.791 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251299048 HMKYZXUAMLUTLA-VRIJBHBRSA-N 426.319 1.021 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2255827703 ZWVJCXWCDHZRAG-ZDUSSCGKSA-N 431.302 1.294 30 10 IDEE CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255877365 WWZIOMPUNJWXGJ-JOCHJYFZSA-N 428.342 1.918 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267005239 LOHCFYLMRMDJJL-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2267239139 NVIOYDRLNHDMSB-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)n1 2267542976 ZWNLATZASWDWTD-ZSEKCTLFSA-N 447.345 1.244 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267543554 HTCAEBYOZQMHJH-KGLIPLIRSA-N 449.361 1.538 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267880288 AALZRCYJXAVJHS-JLCFBVMHSA-N 444.341 1.905 30 10 IDEE COC[C@H](O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311776 NAVXJOBLJPRQCA-SNVBAGLBSA-N 425.765 1.376 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(CNC(=O)OC(C)(C)C)C1 2315534007 PKNASKQVUAOIRE-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC#CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2316096329 ASEMCDJCIZJION-UHFFFAOYSA-N 430.314 1.975 30 10 IDEE COc1[nH]c(=NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)ccc1B1OC(C)(C)C(C)(C)O1 2339788871 WPCNSPGHNFYICE-QFIPXVFZSA-N 449.357 1.907 30 10 IDEE COc1cccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@H](c2cccc(OC)c2)C=3C#N)c1 20274046 XCFOXSRBTBDQJE-SZVPOVDMSA-N 442.431 1.666 30 10 IDEE C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COP(=O)(O)O 95803208 BGSOJVFOEQLVMH-UHGZNKHPSA-N 442.445 1.899 30 10 IDEE Cc1ccsc1[C@@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@H]1C#N 101442917 FXZUNWZCVPSYBA-STQMWFEESA-N 427.486 1.707 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)c(C)n1 102752927 PETGKDQTJIIEOH-LCPUNJGISA-N 440.475 1.986 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cc1 109886750 IVXUQKJTFJPPEE-RBUKOAKNSA-N 448.508 1.518 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/CCO)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530403 ADHLLVLYTWRLEA-HASHLZBASA-N 447.572 1.762 30 10 IDEE biogenic C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 267326325 JIEVJXRUYDZFTD-JZHIIOQBSA-N 448.468 1.945 30 10 IDEE biogenic CCOC(=O)[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 466775708 GNSOEWSDQSTAIQ-SFHVURJKSA-N 437.518 1.043 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 478740724 ANVGXYMOIZBXFJ-OAHLLOKOSA-N 435.480 1.932 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1csc(N2CCCC2)n1 482197893 ILWPPOQDBUTJTA-AWEZNQCLSA-N 433.559 1.641 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C2CC2)C(=O)C1 508833958 RHXSXGSVIWGOAA-UHFFFAOYSA-N 429.550 1.544 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1C 509010129 DTXQERYFALCMOT-SFHVURJKSA-N 435.550 1.621 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 513802990 XZZILKOVLUNBKN-UHFFFAOYSA-N 436.472 1.754 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@@H]1CCCO1 517557873 VJIXRIOVQZAFSW-INIZCTEOSA-N 427.501 1.342 30 10 IDEE CCN(CC(=O)NCc1cccs1)C(=O)CN1CCN(c2cccc(C#N)n2)CC1 545505680 VYVQYCRZJATGFL-UHFFFAOYSA-N 426.546 1.302 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CC1 545855585 HCVGBCCOTZGQHY-UHFFFAOYSA-N 435.956 1.306 30 10 IDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2CC1 561289094 RGRBOGXKVCRFNB-UHFFFAOYSA-N 439.541 1.411 30 10 IDEE C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1ccnc1 561701995 FWBPZWYTESNKDD-UXPWSPDFSA-N 434.500 1.476 30 10 IDEE COc1ccc([C@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F 573072301 DBEFZJGHNNAKFC-ZDUSSCGKSA-N 428.468 1.274 30 10 IDEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)CC1 590304125 IHYUUAOQBUOPQM-INIZCTEOSA-N 448.545 1.931 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(OC)cc1 603799412 CMYGCONVEIASOJ-UHFFFAOYSA-N 431.517 1.772 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCCCOCC)CC3)cc2C1=O 613688863 ZSCMYQDVFLXQRG-UHFFFAOYSA-N 427.501 1.864 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729459444 RMBNFPUFRIVWPL-NSHDSACASA-N 444.293 1.367 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@@H]1CCCO1 735068853 GRTLVYYERVNRPZ-KRWDZBQOSA-N 443.573 1.115 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 743115865 ZWTTWHFEDIUVGV-QXOCDPQASA-N 433.534 1.630 30 10 IDEE COc1ccc(CNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1C#N 747331298 SJGWPZLJTHLWTE-GASCZTMLSA-N 426.477 1.721 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCc2cnc(C3CC3)nc2)C1=O 755562916 OKENNVPKGFBMIA-UEAMBXKFSA-N 438.557 1.970 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 758077020 LQCOMRNLVRKFKW-UHFFFAOYSA-N 426.567 1.323 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CCOC 772900623 MBVWZNFIWLDKBO-UHFFFAOYSA-N 436.537 1.524 30 10 IDEE COCCN(Cc1ccnn1C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785709103 HOBZPGUQZWVESY-FCDQGJHFSA-N 448.549 1.913 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n1 795373019 FKJDTSCNPYXJFX-CTNGQTDRSA-N 440.548 1.613 30 10 IDEE CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCN(c3ncccc3C#N)CC2)c1 797127612 ZTHNRLYUIFFRKO-UHFFFAOYSA-N 430.559 1.723 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)n1 808786412 PZVOZFAZVGMXAG-UHFFFAOYSA-N 445.541 1.514 30 10 IDEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)nn1 811178524 NCTSMHGNKZNGAM-FSPWUOQZSA-N 429.408 1.085 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 811832427 RQJVHOZGYULGQX-UHFFFAOYSA-N 425.466 1.392 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 812182279 GJZSENRROBICSM-HOTGVXAUSA-N 434.541 1.877 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCO1 812307119 BSERRVVAWZFIFN-YESZJQIVSA-N 448.524 1.494 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812526932 VBPARBXARYFHEL-IBGZPJMESA-N 438.502 1.499 30 10 IDEE COc1cc(NC(=O)c2ccco2)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 1137371104 GMVWNFSITANYSM-UHFFFAOYSA-N 426.429 1.747 30 10 IDEE C=CCOC[C@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC)C(=O)OC 1155780208 ZJLMEYHSIDFOES-HNNXBMFYSA-N 432.477 1.505 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CCO2 1158799146 ULQFWCAJYZWZQS-WOJBJXKFSA-N 437.518 1.229 30 10 IDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(O)C2=O)ccc1Br 1159641080 BOYWTNFLJWWTGH-LBPRGKRZSA-N 448.339 1.636 30 10 IDEE CN1C[C@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1=O 1170614014 GIQZKWFCDQSGDF-OAHLLOKOSA-N 426.477 1.007 30 10 IDEE C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1181001486 USDDAZIVCDEDJM-GBYQGRNTSA-N 429.477 1.263 30 10 IDEE CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1185163978 HMDWLEQBZROMFR-JTQLQIEISA-N 425.301 1.658 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Br)ccc1C(=O)OC 1211185539 GYQZCVBMKIEJNW-UHFFFAOYSA-N 426.310 1.115 30 10 IDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)(C)C 1252761940 XORLXRPQKGFILK-LJQANCHMSA-N 436.578 1.494 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286386457 AAWYAVFHFNYSAY-SFHVURJKSA-N 440.529 1.814 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286438145 BQAJOYCRYMRJQO-QGZVFWFLSA-N 433.438 1.461 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1286547839 QIAYCCHIDDAVQM-ZACQAIPSSA-N 439.582 1.486 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(N)=O)CC1 1286565023 ODHDOZYCDFWPHP-LAUBAEHRSA-N 430.553 1.474 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286608250 ORWTUEKRTOUYRO-QZTJIDSGSA-N 438.594 1.904 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286618538 CFYLBIZCKGFBAA-MRXNPFEDSA-N 432.912 1.851 30 10 IDEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286705599 ASJLWWOYUVWSEF-SFHVURJKSA-N 432.569 1.655 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)c2ccccc2C1 1286781068 USCFEEVVBVQCIF-QGZVFWFLSA-N 428.537 1.761 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286789149 PLLJAKYVPJHEBZ-UHFFFAOYSA-N 433.516 1.598 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1286806323 WTRRPWRRPYCSSZ-VGSWGCGISA-N 442.520 1.254 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1286858682 DJINPAINDUUARI-AVRDEDQJSA-N 427.553 1.789 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1295812970 HTPNUODOSAMETK-OAHLLOKOSA-N 441.509 1.697 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@H]2CCOC2)CCOC1 1296605815 KIFUBPVBHBSOSO-JRGCBEDISA-N 437.516 1.815 30 10 IDEE COCCCn1nc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1=O 1297323047 PTJUKQSLQDUGCQ-LJQANCHMSA-N 429.908 1.956 30 10 IDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(Br)cc1 1298540524 ZRIKRACDUWNGBS-CQSZACIVSA-N 425.308 1.260 30 10 IDEE O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)N[C@@H]1CCCN(O)C1=O 1298541517 JDNKCVAXMMOMCI-SECBINFHSA-N 443.279 1.790 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C(F)F)N1CCOCC1 1300319795 CZRSTQVRSGUDGF-SJLPKXTDSA-N 435.523 1.954 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccc(N3CCOCC3)nc2)c1 1300332100 WRUDXVJBPFDOER-UHFFFAOYSA-N 445.527 1.923 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1300488743 VPDVQHCPTZGLCJ-SFHVURJKSA-N 437.529 1.308 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC(=O)NC2CC2)CC1 1300686035 WFJPZGPAAVJIQT-HSZRJFAPSA-N 444.580 1.133 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1300700548 SHTWJMCXUDYTQZ-GOSISDBHSA-N 440.514 1.812 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300767877 GWIBSYYJLWUCQC-QGZVFWFLSA-N 430.578 1.850 30 10 IDEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 1300996295 CAVWYJZNRJARCQ-HXUWFJFHSA-N 438.532 1.825 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301442041 PZIAZXVEGVCGCU-LAUBAEHRSA-N 445.955 1.958 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1301588699 IKFIXAPUHWGCJZ-MRXNPFEDSA-N 446.595 1.134 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301613172 VJBHCZJHPSCJGH-CVEARBPZSA-N 446.581 1.971 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1303512309 ZHARLFCZVOGOMC-LJQANCHMSA-N 435.506 1.066 30 10 IDEE CC(C)OCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1303566754 JZKDZLRIRSPRHH-KNQAVFIVSA-N 432.569 1.920 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1303654961 ZQNCEEVSDVBVDK-LTFJSZEESA-N 443.533 1.157 30 10 IDEE N#CCCN(C(=O)CCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1)c1ccccc1 1305693535 ZSSQDFXURXFGHW-UHFFFAOYSA-N 433.530 1.520 30 10 IDEE C#C[C@H]1CCCCN1CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1308144095 YSEKQPFTYASPRG-SFHVURJKSA-N 439.516 1.047 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)c1 1312920168 ARPPZRVPTFZLAU-UHFFFAOYSA-N 440.525 1.824 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1315813237 BIKQHEYDYQKCPQ-SJLPKXTDSA-N 427.484 1.842 30 10 IDEE CC(C)(C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(C#N)cc1 1353450350 ZISOGLJBEWDUTL-UHFFFAOYSA-N 426.498 1.595 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1358948685 IDRZMBQSAQFVAG-HUUCEWRRSA-N 425.555 1.553 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358960649 IWQBFNQXBJITER-SFHVURJKSA-N 428.493 1.493 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](COC)OC)CC1 1359034245 JFIKLFAUHZDJQE-MRXNPFEDSA-N 437.504 1.011 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1359113905 SXKZTNXUVZQWLD-MRXNPFEDSA-N 429.612 1.563 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359126683 VOSZQANZNSEPAG-VPSFDDGASA-N 427.571 1.078 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1359160321 RENROAIWRZKBCV-QFIPXVFZSA-N 432.569 1.251 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC1CC1 1359233789 QXDXWTDXZKRFNG-UHFFFAOYSA-N 438.575 1.796 30 10 IDEE C=CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359290733 NYNNNVSYDSGYIL-KKSFZXQISA-N 437.541 1.846 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](N2CCCC2)C1 1359291288 KXAARIACIJHLMC-SFHVURJKSA-N 431.585 1.563 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(OC)cc3C2)nnc1[C@]1(OCC)CCOC1 1359305328 AIZNOUVIDIAGML-QHCPKHFHSA-N 441.532 1.804 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1359315942 FJXMHQOABCBKCB-SIKLNZKXSA-N 446.573 1.838 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@@H]3C[C@@H]3CCCO3)C2=O)cc1 1439728006 MGGQGAHUYGFZJS-GBESFXJTSA-N 426.473 1.560 30 10 IDEE CC(C)(C)n1nnc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1469637687 WXMKVCCOYWPONR-UHFFFAOYSA-N 433.538 1.343 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)C1 1469727895 CQVZCDISEPYYGK-LBUQITIBSA-N 427.505 1.584 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1470618464 OUZDUWMYWCIJGE-QGZVFWFLSA-N 442.545 1.622 30 10 IDEE C#CC[C@@H](COC)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1477969326 GEROIKIWFHDBGJ-INIZCTEOSA-N 439.534 1.194 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1 1478284675 NAWSTGKYUWPEHB-NXOAAHMSSA-N 427.567 1.874 30 10 IDEE COCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504826778 WCIAKDWGPZSSNW-SJLPKXTDSA-N 426.525 1.933 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1507533518 NRNWBVMARRRHFC-GOSISDBHSA-N 449.559 1.855 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1507576321 WQOXFKIFORDCFP-AWEZNQCLSA-N 439.973 1.993 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1507643808 ZKQVDBGFWLZLNU-INIZCTEOSA-N 443.529 1.055 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508091927 OJPBYQATZWNOKJ-IAGOWNOFSA-N 438.444 1.145 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508093612 VSEWWYLKBFIRIM-PKOBYXMFSA-N 438.532 1.491 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508152853 SHVFLPYZLRBBID-KBPBESRZSA-N 446.599 1.084 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1510112591 JQCVXOYJKNTFOF-VLIAUNLRSA-N 430.534 1.164 30 10 IDEE Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1510830487 LHUCFJRGOLENKW-ZFUGZCFHSA-N 426.477 1.580 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1519600230 UTFVYFMFGYTFIW-UHFFFAOYSA-N 429.550 1.293 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1539124079 BVCCDXGARIDUBW-GOSISDBHSA-N 446.577 1.521 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539212009 QOWJMSXBPXDKMW-LJQANCHMSA-N 449.540 1.534 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1539261127 YKRXLXKRXJZEQG-WOJBJXKFSA-N 433.512 1.826 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2CC(F)(F)C2)n1 1539423771 FSKPNAGDFNMEGP-KRWDZBQOSA-N 447.490 1.757 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](CNC(C)=O)C1 1539578836 CDNAZRXXERRSHK-UKRRQHHQSA-N 446.346 1.252 30 10 IDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539744565 PYWXSFXOBNDGHG-UHFFFAOYSA-N 444.580 1.689 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1540092562 MHXDHWVIPPAASU-UHFFFAOYSA-N 444.561 1.625 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1540894149 RMFWAAHSENKELU-OALUTQOASA-N 431.562 1.870 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)s1 1544349205 YCSMJAVWFKKUIS-UHFFFAOYSA-N 449.554 1.866 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1544911872 PNDFWHVPWAWOFR-ZWKOTPCHSA-N 435.569 1.904 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)C1CC1 1545532968 ADWWJSCCGGZKFF-OAHLLOKOSA-N 439.568 1.558 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1555809591 XAADRXPZPDRQKP-IBGZPJMESA-N 442.545 1.634 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1555984710 ASALIUBSOAFIJX-GOSISDBHSA-N 437.501 1.485 30 10 IDEE COC(=O)Cn1ccc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1562396687 COQJZVCEJBMULL-UHFFFAOYSA-N 434.460 1.672 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)(C)C1 1565408862 FLWPTTNUONHPJI-CKFHNAJUSA-N 426.539 1.212 30 10 IDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2ccc(C#N)n2C)c1 1586927008 REFNJMIXTAWVEA-UHFFFAOYSA-N 425.308 1.676 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)n1 1587683690 MSHVLUFNNQUXAQ-WFXMLNOXSA-N 440.548 1.740 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)c1 1587693397 SBELUDHZTKITDI-XMMPIXPASA-N 438.576 1.990 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1588064867 QKLNXJCEHFEZFF-PMACEKPBSA-N 449.621 1.214 30 10 IDEE Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1588148324 HYLBOJWCNGBFHE-UAGQMJEPSA-N 429.477 1.849 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N(C)C)CC1 1588908272 MPOSNBDASMUIRM-HNNXBMFYSA-N 429.956 1.909 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@H]2C1 1589494593 NBDMHTIPVQDIJX-BDXSIMOUSA-N 434.541 1.197 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595544049 FKOSHEBUMCLQHV-CQSZACIVSA-N 429.443 1.822 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595545631 ZUOYBJKKYXQQGW-ROUUACIJSA-N 432.569 1.164 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(C)COCCO1 1609519016 GUIGMQYHFMEKHV-MSYCTHLASA-N 438.532 1.965 30 10 IDEE C[C@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CCO1 1611489630 QVIVUQGGYDCNPC-KRWDZBQOSA-N 448.328 1.769 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1615973712 VXRNAPWTPOLGEN-IRXDYDNUSA-N 436.513 1.319 30 10 IDEE C[C@@](O)(CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)C(F)(F)F 1616239780 VLYNEXHHCISITA-CQSZACIVSA-N 427.395 1.813 30 10 IDEE COCCn1nnc2c1CCN(C(=O)c1ccc(C)c(B3OC(C)(C)C(C)(C)O3)c1)C2 1624886433 ZRSGSYKNIVFSOB-UHFFFAOYSA-N 426.326 1.731 30 10 IDEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1624906133 BATLCCJWPDOFOT-SJCJKPOMSA-N 433.461 1.686 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2[C@H]3c4cc(Br)ccc4C[C@H]32)CC1 1628146137 BJADCHSCTFELCW-YZGWKJHDSA-N 430.346 1.619 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1629077122 JGHCYWZZNXHSAF-AWEZNQCLSA-N 429.905 1.620 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1630585348 MIVIZLOKTCRDDI-WMZOPIPTSA-N 436.383 1.742 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 1630614542 NSPBFFNHEPVCPR-KRWDZBQOSA-N 427.526 1.863 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]1C2 1632301524 UCBKGTSQHHLCEH-WIEQDCTASA-N 433.530 1.743 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)C1CCN(C)CC1 1635679669 BGMZTDDSQJDPDB-UHFFFAOYSA-N 428.352 1.283 30 10 IDEE COC(=O)c1cn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1645939091 ZVVRQHJFPWEGTA-KNVOCYPGSA-N 436.259 1.694 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1 1648373538 QSXGQASDUZGEQQ-IBGZPJMESA-N 430.530 1.177 30 10 IDEE C#CCN(C(=O)c1coc(S(=O)(=O)NC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973709 UIFOZYQWODKYIW-UHFFFAOYSA-N 425.507 1.663 30 10 IDEE COc1cc(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c(OC)cc1Cl 1651996507 CHJPQYGTVQSFNF-UHFFFAOYSA-N 446.891 1.861 30 10 IDEE C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1652587228 JLCYHDXVSKKLIR-UHFFFAOYSA-N 427.570 1.357 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3cc(C#N)nc(C4CC4)n3)CC2)cc1 1655164243 MLMVJRKIPHMENI-UHFFFAOYSA-N 426.546 1.635 30 10 IDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)n1 1655207328 JAEYDOPSDKNRKC-UHFFFAOYSA-N 443.298 1.728 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1672952803 ZIGFRXMWGQPMQU-UHFFFAOYSA-N 428.514 1.378 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3snc(C)c3C#N)CC1)CCO2 1676004385 JGRYDWCCOJWABB-CHWWFWEZSA-N 433.534 1.656 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1 1677401519 FFZJYXGVWGBVAH-QFBILLFUSA-N 430.505 1.214 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 1683469038 KAPFGSLHWYEJIV-SFHVURJKSA-N 429.521 1.922 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CCS2 1685588856 AVPBYJKJSWKWPN-TZQQIIETSA-N 446.577 1.649 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1690265354 NCOBLAUUUJLWBF-IBGZPJMESA-N 448.593 1.960 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690663163 OBGGUMHBGZQZBG-UHFFFAOYSA-N 446.515 1.738 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690723982 FSLMTPBTBOIRAN-LJQANCHMSA-N 448.593 1.804 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697927194 DZTMNGWKYDECOH-JOCHJYFZSA-N 437.504 1.606 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705492694 VLJHICOIWMRNHI-ARFHVFGLSA-N 439.582 1.941 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3noc4c3COCC4)n2CCOC)c1 1705505138 JOAVLLQFHNZPDQ-UHFFFAOYSA-N 436.472 1.708 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705543746 QXRZRGFZEOQOLV-UHFFFAOYSA-N 435.525 1.928 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1705558720 GRKWJXKYICYVHZ-GOSISDBHSA-N 445.520 1.328 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705566538 NZIHTZJAQUXYCP-INIZCTEOSA-N 442.607 1.386 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705566612 POVMDCMFEOWIGY-SYNHAJSKSA-N 434.566 1.102 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(S(C)(=O)=O)CCCC2)n1 1705630679 CEIQAIZBNCPUIM-UHFFFAOYSA-N 434.566 1.427 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCCCS2(=O)=O)n1 1705631443 FNMHZOXXHYXNBN-SFHVURJKSA-N 434.566 1.291 30 10 IDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705830786 AEGMHQBGPHRYOZ-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1cc[nH]n1 1705841072 MMGKPSKDXDRQDZ-UHFFFAOYSA-N 443.537 1.014 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705899714 DLWIOQYRPPTSCW-UHFFFAOYSA-N 449.515 1.254 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC)C(=O)C2)cc1 1705911803 QMSPYLKMYPAVGR-IBGZPJMESA-N 438.532 1.901 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCCCC2)C1 1705917344 WERJJVZDNXLRJO-IAGOWNOFSA-N 441.598 1.755 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C3CC3)C2=O)CCOC1 1706068641 NUQPATIVMGLISF-URZJWIJPSA-N 430.553 1.925 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1706075618 QEWXEDCYUGNXNS-QYZOEREBSA-N 431.585 1.711 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1706463354 PLTVNKQRKNALEO-VQIMIIECSA-N 425.555 1.445 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1706749639 ZRWBFVMQXMSZSK-ILXRZTDVSA-N 425.484 1.324 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1711393244 DVFYNHVEPZEZQE-GOSISDBHSA-N 448.531 1.760 30 10 IDEE N#CCC1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712885847 ZYZBJQSCLPWCAW-XUTLUUPISA-N 432.488 1.997 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1722286946 LMSXELUWKUVTLP-AWEZNQCLSA-N 432.502 1.071 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1722392448 MKDPJSRESYINEM-INIZCTEOSA-N 426.498 1.571 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2CCOC2=O)CC1 1722447136 GAJIXVCULAXDCN-UHFFFAOYSA-N 428.537 1.744 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cncn2)C1 1722464581 KUGQJIKZMIAARC-BZSNNMDCSA-N 431.566 1.802 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(=O)NCCc1ccccc1 1722476393 TUFQNAFZVATMAT-XMMPIXPASA-N 434.544 1.752 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1722485711 QJQFQMATHCXZKY-KGLIPLIRSA-N 449.371 1.331 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722582916 LYXLEYUKQFHASS-HUUCEWRRSA-N 447.627 1.504 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC(C)CC1 1722681297 JEBPFHZHDQHGKT-SFHVURJKSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1722692517 PBFVGSQLCAPPSA-LJQANCHMSA-N 438.532 1.703 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1722693016 BJKNDHARCRZYFH-HOTGVXAUSA-N 446.577 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1722726049 XUABGAOEFMUYIL-HNNXBMFYSA-N 435.525 1.647 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCCS1(=O)=O 1723191119 KNPAHKOFOWCNDX-UHFFFAOYSA-N 444.565 1.030 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1729162226 MMQDIIRJAAHIAI-UHFFFAOYSA-N 436.520 1.825 30 10 IDEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1729314629 GGRZIPRPNISYTM-RBUKOAKNSA-N 440.504 1.374 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1729538574 XYUXPTAMGFVMDM-UHFFFAOYSA-N 428.522 1.089 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@H](C)O1 1730591670 DXUCVUHBCDAYDS-QFBILLFUSA-N 426.521 1.925 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740560549 LCMKBGFCXMVDMD-KKSFZXQISA-N 432.546 1.079 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC)C1CC1 1740910930 UPAIXNYFFJCSNK-GOSISDBHSA-N 448.549 1.218 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)N(C)C)C1 1740977200 SFGSDGQALTWISI-DLBZAZTESA-N 447.609 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1 1740993956 KZLPRESSJAZLNA-UHFFFAOYSA-N 431.518 1.555 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CCO1 1748205860 AHVOVXMXJBBNCW-QUCCMNQESA-N 449.515 1.664 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1748671209 GYGQDEJELDBQCS-CVEARBPZSA-N 434.541 1.569 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748814443 GGWCSUVNFVOCSL-MOPGFXCFSA-N 442.589 1.760 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1(C)C 1749196588 PURDOTREOSDOTB-LAUBAEHRSA-N 445.545 1.228 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749242001 YUTDYNPYINJWOL-FCHUYYIVSA-N 449.552 1.942 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749391948 VZCWQHAOYIXCMF-AWEZNQCLSA-N 445.549 1.780 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749473658 MMTVPNFPQKONQE-KRWDZBQOSA-N 441.351 1.879 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F 1749671006 XSDPNTDJAYCVSR-OAHLLOKOSA-N 435.525 1.566 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749729298 GFGKCJHGHOQQDR-UHFFFAOYSA-N 448.593 1.579 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCCO)CCO1 1750387402 YGKHEGUXIJADBE-CYBMUJFWSA-N 425.287 1.163 30 10 IDEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760143420 GINHNFBMLHDHNX-KZNAEPCWSA-N 442.564 1.147 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1760184466 XONHNLJSBYILJJ-WMZOPIPTSA-N 434.566 1.310 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760190488 WTQHKOISSZNHJD-VQTJNVASSA-N 442.589 1.841 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1760209993 LKNYXRAFSOTOMI-DLBZAZTESA-N 429.550 1.125 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1760357271 HLRXRGGQWVWEQJ-KRWDZBQOSA-N 425.555 1.360 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760450830 UBSQNVHZKCTBAZ-IRXDYDNUSA-N 444.540 1.297 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1760455612 UELPLMZVTSDPRQ-OAQYLSRUSA-N 449.577 1.831 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760523538 BGDDOKYLSKTOGJ-DLBZAZTESA-N 448.568 1.825 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)C1 1761544569 HCLAAKKCMYSYIV-XLIONFOSSA-N 446.533 1.470 30 10 IDEE Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1761751566 WIGBSYNDIGWZEZ-CZIZESTLSA-N 426.477 1.582 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1csc(COC)n1 1764187014 BDBDARMAHYLWIN-HNNXBMFYSA-N 433.538 1.576 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1764680163 GHQMVCJFGQODHR-UHFFFAOYSA-N 444.561 1.699 30 10 IDEE CCO[C@]1(c2nnc(N(C)CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1767385399 IVKFKIDBLQEHMT-RURFIKTLSA-N 432.525 1.549 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1767847139 GJIJIGUXEMRYEW-UHFFFAOYSA-N 448.940 1.389 30 10 IDEE CCSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768407885 REVFEVHFERSDHT-INIZCTEOSA-N 427.534 1.907 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1770751282 FFHZTLNVEWAYTJ-ARFHVFGLSA-N 426.468 1.214 30 10 IDEE COc1cccc(C#N)c1OCC(=O)NCC(=O)N1CCN(c2ccccc2F)CC1 1851695611 DONKMTPJCSQJLS-UHFFFAOYSA-N 426.448 1.550 30 10 IDEE C=CCC1(S(=O)(=O)N(CCn2nnc3ccccc3c2=O)Cc2cnn(C)c2C)CC1 1853442151 SJNRIHFTYSUTEM-UHFFFAOYSA-N 442.545 1.774 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@@H]1C 1854752215 ZHMHMUFBQMKDOU-JKSUJKDBSA-N 425.576 1.784 30 10 IDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1856540053 HHKJMSJTEHHAGA-MAUKXSAKSA-N 433.505 1.743 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCN(S(=O)(=O)C4CC4)CC3)CCC2=O)c1 1856620908 HGUDCMKREHHAGX-QGZVFWFLSA-N 430.530 1.047 30 10 IDEE Cc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1C 1870146242 KILANESWZWTXGP-UHFFFAOYSA-N 430.424 1.999 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN(CC)CCO 1870391948 XQIJENPEKBJLTH-UHFFFAOYSA-N 445.516 1.883 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1C[C@@H](C)O 1870549236 FZLKENBHDHAGSX-QUCCMNQESA-N 433.549 1.419 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870563518 FCZOFOFWVCIZHC-UHFFFAOYSA-N 442.947 1.972 30 10 IDEE O=C(CSc1nncn1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccco1 1874537839 ZLBPPGWTILMHRH-ODCIPOBUSA-N 444.429 1.841 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)CC1 1890999181 UTXIHFJLACAGHW-UHFFFAOYSA-N 441.572 1.996 30 10 IDEE C[C@@H](C#N)C(=O)Nc1c(I)ncnc1I 1974855577 VHSGUXGYJCUFTC-BYPYZUCNSA-N 427.971 1.784 30 10 IDEE NCC#Cc1ccsc1CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2089788850 OMJHSLXGHCTVLA-UHFFFAOYSA-N 431.539 1.554 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCN)c1 2164487367 LRGGOLDJELTKIB-NRFANRHFSA-N 429.473 1.763 30 10 IDEE Cn1cc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255623582 OZGCTLUNPWEPMU-CQSZACIVSA-N 434.346 1.706 30 10 IDEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255627385 RYWWYMHSBRZHTH-ZDUSSCGKSA-N 436.318 1.722 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2255636205 QYFDZQPGJFPHEG-HIFRSBDPSA-N 434.346 1.845 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCN(C)C(=O)OC(C)(C)C 2255640061 WVZFRNFENSVLGF-UHFFFAOYSA-N 436.362 1.967 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256059531 LKHDKLCWTBOKML-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE Cc1nc(NC(=O)N2CC(NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256635196 HUGNNDKCGRIMSA-UHFFFAOYSA-N 433.318 1.825 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267162513 PTYNIQLCJVDECL-PEBXRYMYSA-N 444.341 1.905 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)n1 2267544001 NVERDGKGBNBYJM-NRFANRHFSA-N 449.361 1.491 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267594797 AFKFJECIPWWZTI-KBPBESRZSA-N 447.345 1.196 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267597172 ORZKVEGBJBXDGP-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC(C3OCCO3)CC2)OC1(C)C 2282840601 OPMAKIBQLCFJJP-UHFFFAOYSA-N 444.384 1.357 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 2296623789 KVPVXWZOOIFLJI-SFHVURJKSA-N 430.530 1.852 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(NC(=O)OC(C)(C)C)CC1 2315522440 IWACPVPXVUWABI-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 169820147 MBCHGJXLDWJKAV-UHFFFAOYSA-N 447.289 1.410 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1C[C@H]1CCCO1 471190937 LMGAJGOZJWEAIB-QGZVFWFLSA-N 429.542 1.664 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 472018339 TTYYXLSJDLRVAM-IBGZPJMESA-N 437.525 1.497 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 479875240 VSKSIUZTUXLUQF-UHFFFAOYSA-N 433.516 1.126 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cc1 510137634 XQZDZIDCZBMJMJ-IBGZPJMESA-N 426.498 1.804 30 10 IDEE COc1cc2c(cc1OC)CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 514216421 VFEVOBOEFHAPRC-UHFFFAOYSA-N 439.516 1.621 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)n1 542066594 ATCBGMNWLQMHRS-UHFFFAOYSA-N 428.880 1.901 30 10 IDEE C[C@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCCC1 544330253 HPQPIQZQYQOYFQ-GOSISDBHSA-N 433.578 1.839 30 10 IDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545504591 VQLKLHJCMYDETG-UHFFFAOYSA-N 428.518 1.994 30 10 IDEE C[C@@H]1CN(C(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CCN1CCO 551491795 AVWPWGBTIQFKLA-MRXNPFEDSA-N 438.532 1.505 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 555244897 UPPQEOQKVXNCIQ-OAHLLOKOSA-N 440.595 1.842 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 559005844 ZTBVJZZTBKVGOR-KGLIPLIRSA-N 426.568 1.807 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 590914301 DMLYGTCZERZFJD-OAHLLOKOSA-N 442.497 1.026 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1 609739205 HOLSBZPLMIVHBO-MRXNPFEDSA-N 429.517 1.564 30 10 IDEE N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOC[C@H]2C2CC2)C[C@H]2CCCO2)cc1 611220344 WFYWEONTECPICL-QUCCMNQESA-N 433.530 1.365 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)CC1 728531963 VNFOYSJMAXAARB-UHFFFAOYSA-N 441.963 1.887 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 731401370 NRLPNFJSPMDSMM-SFHVURJKSA-N 433.530 1.633 30 10 IDEE COC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc2c1CCCCC2 746039252 UYFSNARASXFAIL-AWEZNQCLSA-N 430.530 1.941 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(F)F)C1=O 751924831 OJBWKAGKCZSRQP-CYBMUJFWSA-N 427.477 1.050 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 758157299 XVKSVLMVWDZVEE-RBUKOAKNSA-N 434.581 1.744 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OCCCO)CC1 758348622 UAWMNZQSZSYGKW-SFHVURJKSA-N 437.562 1.674 30 10 IDEE C#CCOCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 762713341 NKCUFLNDAPGXLG-UHFFFAOYSA-N 432.292 1.277 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 764741547 UTUDFDLBXOHTCQ-UHFFFAOYSA-N 443.411 1.574 30 10 IDEE COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCN(C3CC3)[C@H](C#N)C1)CC2 765517457 UEUPMZBPAGTPCG-LJQANCHMSA-N 426.517 1.567 30 10 IDEE O=C1N=C(NN=Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)NC1=O 765592485 GOENLXOWHIEFFT-UHFFFAOYSA-N 444.451 1.696 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1CCN1CCOCC1 767880417 NHTDUNHXABDHEL-UHFFFAOYSA-N 441.582 1.383 30 10 IDEE COc1cc2c(c(OC)c1OC)CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)CC2 771758659 HDYSPSIHNZWQOS-QOCHGBHMSA-N 429.473 1.556 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCCn2ccnn2)C1=O 784120099 XRDBTBMCJUFPTI-KRWDZBQOSA-N 447.540 1.507 30 10 IDEE C#CCN(C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)[C@@H]1CCS(=O)(=O)C1 787144190 OYGCSZLJVWRCEN-OAHLLOKOSA-N 438.575 1.953 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 809893917 WFAGLPAOSZYWSN-HUUCEWRRSA-N 434.497 1.413 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)C)CC1 812210547 IFCBNDGJLQJMII-GOSISDBHSA-N 432.569 1.998 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)cc1 856591681 COUVKPLCZYZCJA-UHFFFAOYSA-N 437.544 1.989 30 10 IDEE C[C@@H](Sc1ncccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCC1 1116031007 CIJPSQUIYCRAES-UFOSLELVSA-N 443.529 1.441 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)ccc21 1148315240 VKRVHWCFKPYWOJ-UHFFFAOYSA-N 431.496 1.998 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)CC1 1152967569 LNEHECOZGZRRAG-UHFFFAOYSA-N 446.554 1.250 30 10 IDEE C#CC[C@H](CCOC)NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1169293287 RPVWWLXYENYPEG-NCOADZHNSA-N 428.551 1.201 30 10 IDEE CC1(C)CC(=O)NCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1196961879 MNYLIXWAEDWINE-INIZCTEOSA-N 427.549 1.957 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)n1 1254361776 BOSPRMTZGTUVBK-HSZRJFAPSA-N 439.560 1.884 30 10 IDEE Cc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc(S(=O)(=O)N(C)C)c1C 1264321652 BKBSHJRTRNMCGS-UHFFFAOYSA-N 432.506 1.237 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1286299345 VFIWUFRPAMDLEK-GOSISDBHSA-N 440.621 1.959 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCOCC1 1286469085 PYWLMOPYPHPEPZ-UHFFFAOYSA-N 429.569 1.337 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCC)CC1 1286471215 HPXUSWZPYFTZTP-KRWDZBQOSA-N 446.577 1.091 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@H]2COCCO2)n1 1286472076 UQSYYTFTMGLSCE-NRFANRHFSA-N 436.516 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1286492534 IBADXCBMWFKYTD-CMKODMSKSA-N 429.565 1.953 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1286547383 OLMNRJOKVVFIOX-ZWKOTPCHSA-N 433.553 1.783 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286592076 GYYLUEQNSNYVGM-INIZCTEOSA-N 435.554 1.188 30 10 IDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1286606094 GOOYYEGCMRENNH-KRWDZBQOSA-N 449.515 1.996 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286607967 WPNZTTRNANGVEA-UHFFFAOYSA-N 449.519 1.148 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286782057 JFEFACOAVINTDC-FQEVSTJZSA-N 435.532 1.420 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1286789034 NMTZDLSFCYCMEG-MRXNPFEDSA-N 426.521 1.272 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286789961 YRSSBGNCPPCFKK-UHFFFAOYSA-N 445.527 1.529 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1287248652 FIXISVIXQMSIPU-GOSISDBHSA-N 432.550 1.903 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CC4(CCOCC4)CO3)CC2)cc1 1287936464 NMSMNUKGYUMRMY-LJQANCHMSA-N 447.557 1.661 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1288516820 FCBHMDYGKCOGNG-HNNXBMFYSA-N 435.579 1.457 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N(C)Cc3ccccc3)CCCCC2)C1=O 1288585806 RLJSDDOOBXDUSR-UHFFFAOYSA-N 426.517 1.914 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2CCCNS(C)(=O)=O)cc1C 1289721698 OYCYQSORURIOJM-MRXNPFEDSA-N 447.565 1.825 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)CC1 1299280621 YUSQYLIVWFWQOX-UHFFFAOYSA-N 440.552 1.246 30 10 IDEE C#CCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1300424931 PIEGMSVRWAZQLY-HSZRJFAPSA-N 445.564 1.419 30 10 IDEE C#CCN(c1nnc(C)n1CCN(CCC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300483699 LDOQVDNTUVZXAX-QGZVFWFLSA-N 439.582 1.860 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300495227 FWDJBBSZELUZIS-CVEARBPZSA-N 433.534 1.316 30 10 IDEE C#CCN(c1nnc(CC)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300499834 XUVKVZVYFOUETB-GOSISDBHSA-N 429.546 1.174 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1300675155 MPGUIMYTJGUTFZ-UHFFFAOYSA-N 447.923 1.455 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300732382 AYHONBDMDMHKEY-KGLIPLIRSA-N 428.474 1.406 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1301423935 DVGLSBOCBXUVML-INIZCTEOSA-N 437.591 1.984 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301489971 ILIUGPORUMVAKY-OAQYLSRUSA-N 446.939 1.872 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301492003 URGQHXKYBLXXNJ-HXUWFJFHSA-N 435.532 1.966 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C)c3ccccc3C2)nnc1[C@@]1(OCC)CCOC1 1301519643 REOOCMRPSWTUFU-HSZRJFAPSA-N 440.548 1.689 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1301520507 ZMVTZRZFHLIVIY-UHFFFAOYSA-N 447.561 1.560 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1301585809 BOELRJPWYSVTOM-KRWDZBQOSA-N 442.549 1.335 30 10 IDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1301622422 LHFHSYWKBDXYLA-UHFFFAOYSA-N 442.524 1.516 30 10 IDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1306014833 KBHJQKRDXOROGD-UHFFFAOYSA-N 433.324 1.096 30 10 IDEE N#Cc1ncn(CCNS(=O)(=O)c2cc(Br)cc(Br)c2)n1 1309477797 AEUGWFNZZQEYDY-UHFFFAOYSA-N 435.101 1.653 30 10 IDEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CNC(=O)NCC(=O)NCC#N)cc2)CC1 1312663186 YNBHXIFMLFQARE-UHFFFAOYSA-N 444.536 1.178 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CCN2CCCS2(=O)=O)c(C(=O)OCC)c1C 1352311204 HACKOYRNKSSNJR-UHFFFAOYSA-N 444.531 1.940 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CNC(=O)c3ccccc32)cc1 1355744182 IZSAASPSGUGMQF-SMKFHGBISA-N 426.498 1.965 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(n3cnnn3)CCCCC2)c1 1357483271 DSSDFZOEVKNZSW-XLNRJJMWSA-N 431.522 1.784 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1358890766 VOKHUZOIEONHKP-CRAIPNDOSA-N 429.546 1.870 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1358890854 WIQCGHBCXUWUED-RDJZCZTQSA-N 432.546 1.898 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964453 ZFSSDYXPQWDOEG-JKSUJKDBSA-N 439.582 1.628 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358973670 AHEKQBBOFFUDDN-OAHLLOKOSA-N 432.937 1.348 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)CC1 1359036044 LCDXXDVQXQMZOI-IBGZPJMESA-N 448.637 1.200 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359076496 CXACNDIXDOWFTQ-MELADBBJSA-N 447.403 1.470 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359097686 SAUZCNDJJMETJV-PKOBYXMFSA-N 446.577 1.839 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1359263976 RADLTKCHMLYJLQ-AWEZNQCLSA-N 433.563 1.611 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359294411 SMLWXQIEVFDMCX-SJORKVTESA-N 439.476 1.403 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1359318176 YJXWPLHAKFWJJU-MSOLQXFVSA-N 426.521 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCOC2)C1 1359336387 OCTIRYYNFIWEJJ-ZWOKBUDYSA-N 440.566 1.220 30 10 IDEE C=CCSCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359343819 CFYJINKPCAUYAK-GOSISDBHSA-N 440.573 1.244 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)c1 1443244567 AEBGTVXLWQLESJ-UHFFFAOYSA-N 445.472 1.480 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CS1(=O)=O 1452960203 IEQNEXGTVZPIHH-QTHJGGCBSA-N 425.551 1.855 30 10 IDEE C=CCN(C(=O)c1cc(S(N)(=O)=O)cnc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1466893380 XJBAJWDWMDHETK-IBGZPJMESA-N 431.514 1.840 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1470583944 RVZRHODKAUWXFY-OTWHNJEPSA-N 430.553 1.142 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CCS2 1471532540 HABSSOYDKDRMAK-KHQOZGCUSA-N 444.561 1.786 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nccs2)c1 1507550238 IDWIEGBIACZHLE-MRXNPFEDSA-N 435.513 1.790 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1507580551 HLSSSCDHTMKZGL-SFHVURJKSA-N 433.520 1.829 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1507643659 XRFMSLXVVQRLEK-INIZCTEOSA-N 439.545 1.319 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507863422 FMCWBUHLIKSPFY-HNNXBMFYSA-N 430.896 1.650 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1507978778 SJFKEDNAIYBMRB-UHFFFAOYSA-N 430.472 1.356 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)NC)CC1 1508071057 ALUMAEFDBFKHCE-UHFFFAOYSA-N 449.462 1.310 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539201962 DCMHMFQHWDIIIQ-IRXDYDNUSA-N 437.610 1.755 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1539221680 RDCKGBRCLZLEMI-QZTJIDSGSA-N 432.550 1.237 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539224388 GFQLWSWCGHCWDY-WIYYLYMNSA-N 436.578 1.443 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540865970 XYWJFYIIODZZSR-ZDUSSCGKSA-N 447.337 1.677 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)C1 1540892235 IBXIBWNHGVSELB-GJZGRUSLSA-N 438.579 1.364 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1541803073 BWZSLRXTSUHPNA-IXDOHACOSA-N 425.555 1.362 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1546528759 AQKBCTPXFYWLGV-UHFFFAOYSA-N 429.550 1.259 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCOC(F)(F)F)cc1 1555989328 HJOFOQNEZPOEOG-HNNXBMFYSA-N 435.410 1.957 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1557933806 AJZQXIAFJIXHNU-GJZGRUSLSA-N 445.944 1.940 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)cc1 1558267929 VDZBLVFIHHOTJE-QGZVFWFLSA-N 441.509 1.447 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)CC1 1559906944 BZQUDPHSCLHFBB-LEWJYISDSA-N 448.608 1.548 30 10 IDEE Cc1ccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1570310533 CORLHSJMSZHCBQ-UHFFFAOYSA-N 448.394 1.934 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3C[C@@H](F)CN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1585660499 MKZLBIXOTWRXLA-TVKQPGBESA-N 435.477 1.132 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)C2)C1 1586613620 NFXXEZULEGAPND-QXGUJMOYSA-N 443.591 1.719 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1587580453 PXASILCCTYTWET-WMLDXEAASA-N 429.546 1.721 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1588054252 MPKUVGVFPUUQBQ-HOTGVXAUSA-N 449.602 1.866 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1588233280 FYEYZDFZPMJZBN-GOSISDBHSA-N 447.586 1.378 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1588276076 HPRDJMCJJYRQMM-UHFFFAOYSA-N 427.534 1.734 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N(C)C 1588559422 GGKJZJJYYKERJJ-QGZVFWFLSA-N 430.578 1.965 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1588768210 BQYNIBWPWCWPHL-HSZRJFAPSA-N 447.587 1.929 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@H](C)OC)n2)CC1 1588806312 MNTQYCDRPNRCQY-HOCLYGCPSA-N 429.550 1.197 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)OC)CC1 1588962064 SMYYBCPSVKRCRJ-GOSISDBHSA-N 425.533 1.900 30 10 IDEE C=C(Br)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589459726 CZFRHFMQZQVSLQ-INIZCTEOSA-N 449.371 1.462 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595442048 AQVGKFWFJVECKS-IBGZPJMESA-N 428.512 1.925 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1595544149 FRJGJTJRSSBIFS-MOPGFXCFSA-N 432.569 1.371 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC)[C@H](C)C1 1595776737 DSQWDLPJBBTLDB-QGZVFWFLSA-N 428.562 1.948 30 10 IDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1597108356 BMCDATRADBMWNV-NJAFHUGGSA-N 436.472 1.533 30 10 IDEE C[C@@H]1CCS(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1615729976 LRCXBAZOXHOBGB-JQCXZVQFSA-N 425.551 1.809 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@H](C)C#N 1618839575 AMGQYPYBEJXWFU-SNVBAGLBSA-N 447.384 1.914 30 10 IDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)C(F)(F)F 1619102458 BFAVJCWRNAGLPU-MSOLQXFVSA-N 446.445 1.406 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)(F)F)CCO1 1620354935 MVQBIVXJGPCFQA-LBPRGKRZSA-N 425.371 1.581 30 10 IDEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCC(=O)N2CCOCC2)CCO1 1620356527 ASNDSDIMWWEIOX-FQEVSTJZSA-N 438.532 1.431 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)C1 1625522920 DGAZPEDWHSTTIL-FZTQNYJHSA-N 440.566 1.313 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)CC1 1628146134 BJADCHSCTFELCW-DFQSSKMNSA-N 430.346 1.619 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 1629485831 QOPCYXYDRSBCNW-GDBMZVCRSA-N 431.436 1.891 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 1633191770 WLDRZPOJSCYAAB-HSZRJFAPSA-N 428.533 1.445 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)C1 1638392974 STDALFAIWAOVAM-MRXNPFEDSA-N 426.489 1.078 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1640985513 DNUQNFWGWPFKKZ-INIZCTEOSA-N 439.534 1.722 30 10 IDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N 1642563614 GCVXKQJDUGQFIQ-WBVHZDCISA-N 448.545 1.257 30 10 IDEE C#CCNC(=O)CN1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 1642750267 YUDHEQXHEYMBEC-UHFFFAOYSA-N 434.342 1.215 30 10 IDEE CNC(=O)CN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 1644582813 ZCJQLXBCOZEDOU-UHFFFAOYSA-N 426.521 1.310 30 10 IDEE C#CCNC(=O)CN1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1647834379 MWRRDHYLYSPNHR-QGZVFWFLSA-N 430.553 1.396 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653073235 VNDWXGYOSCPFDN-AUSJPIAWSA-N 427.567 1.959 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1663136045 BAOMDPCEKGQYBO-QAPCUYQASA-N 445.994 1.677 30 10 IDEE CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 1665855260 HBBDDICZDSCCKV-UHFFFAOYSA-N 436.472 1.948 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1 1673803098 HBCZCAXZKZZUDD-UHFFFAOYSA-N 447.561 1.366 30 10 IDEE CCOC(=O)CS[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(F)(F)F 1683622144 SFQVIMNEGZVXQN-GFCCVEGCSA-N 436.460 1.665 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689990848 SPMGZXWNCSWUQR-IEBWSBKVSA-N 446.577 1.545 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnnn1CC1CC1 1690036126 WIXRXBDBBAKIBI-UHFFFAOYSA-N 446.515 1.870 30 10 IDEE C=CCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1690493555 LLDWRNIKQOWPFX-IBGZPJMESA-N 427.571 1.414 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690673898 IMTKYLWHAAANDO-SFHVURJKSA-N 445.593 1.237 30 10 IDEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1690680288 NVACIIFURUNYRP-NRFANRHFSA-N 448.527 1.828 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690724847 XGBRJJFOLYVAIA-RTBURBONSA-N 437.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@H]1C 1690729347 MQKCVLVSPXXZTE-CQSZACIVSA-N 439.563 1.096 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1690995726 MPNHITNNOLMZRK-GDBMZVCRSA-N 445.549 1.070 30 10 IDEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)c1=O 1695798433 KDGVLXXXRKJAMO-OALUTQOASA-N 426.521 1.972 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](OC)C1CC1 1698150301 FYMPYEPIYGOTFQ-AUUYWEPGSA-N 442.520 1.962 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1698317058 AIEHZUZNEMZFSW-GOSISDBHSA-N 442.467 1.528 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1NC(=O)CC1(C)C 1705489313 NBGSRCUXGNGZTK-GOEBONIOSA-N 443.577 1.611 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705567694 YFXCFVIBUUHZBZ-UONOGXRCSA-N 434.484 1.997 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705568438 NNPUYHMJMHIMKH-RCCFBDPRSA-N 433.578 1.463 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705652868 QDMHBBJMAWTKTF-SFHVURJKSA-N 432.594 1.039 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)COC)CC1 1705700150 PGNNZNQPVSZXIT-QFBILLFUSA-N 427.509 1.011 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705741370 NTCQBULFMKZWFK-ZVVDCOBXSA-N 436.553 1.979 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccc(C)cc2)CC1 1705763246 QYZVFVSNTORAKK-KRWDZBQOSA-N 446.577 1.783 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1 1705856894 JZWOAQZAPWHEBM-LJQANCHMSA-N 441.532 1.842 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705897570 OUCZBYTXEIXTIM-KRWDZBQOSA-N 442.568 1.999 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705899876 JMIMGHSQKXMVSP-MJGOQNOKSA-N 440.548 1.413 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705907064 YQTRWIVDICIABU-RHSMWYFYSA-N 444.923 1.528 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1 1705913295 KFTWPKXNFLQFOD-KRWDZBQOSA-N 445.545 1.072 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705932947 PFSNWZVCGBCUKH-NVXWUHKLSA-N 445.545 1.269 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705939724 KYIQOECRRYDUNN-UHFFFAOYSA-N 447.609 1.771 30 10 IDEE CC(C)(C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706118165 JKCCLKOWQUNDFJ-QZJMSCLXSA-N 443.508 1.133 30 10 IDEE CN(C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711015916 SSJZEVPCVFFFFA-UHFFFAOYSA-N 435.536 1.445 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC2CC2)c1 1712686697 BWPOMOKAIWURSO-HXUWFJFHSA-N 446.508 1.317 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCOC2)cc1 1712880423 IXGUSFWGEUMBGX-QGZVFWFLSA-N 440.504 1.236 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1722429241 OWAOCCFFXCMHEL-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCC(=O)N2)CC1 1722449098 MMIVOKLIABZIPC-QGZVFWFLSA-N 426.546 1.175 30 10 IDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722457255 VEBGQSDXUDWQLT-OAHLLOKOSA-N 437.566 1.969 30 10 IDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1722635356 XCTVZIDECNYEQE-NRFANRHFSA-N 449.577 1.897 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722751759 UEVUPGQGDUFMEC-INIZCTEOSA-N 447.561 1.646 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCC(=O)N3)n1CCCCCCO)C2 1731180274 GEXWQLVSJBITMD-QGZVFWFLSA-N 425.493 1.317 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740533359 REMMTLWPHIALIT-QLFBSQMISA-N 442.586 1.507 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@H]2C)c1 1740562743 NCWSZMFMCJDYII-XLIONFOSSA-N 449.559 1.770 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740576434 XGKZEQYKOIOKTE-MOPGFXCFSA-N 435.594 1.980 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)nc2)CC1 1740825740 STLQIBNAZBSCSF-SFHVURJKSA-N 432.550 1.519 30 10 IDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1740875030 OQBBMTWERRAORL-UHFFFAOYSA-N 437.504 1.855 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740885564 JQFRZKBYHYXHLS-QGZVFWFLSA-N 431.541 1.160 30 10 IDEE C=CCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740950125 PLZNOAOCWJAPID-LJQANCHMSA-N 427.571 1.270 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1745953289 DUDBSUXAIZHFJI-IBGZPJMESA-N 439.545 1.806 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1746536950 MLHAMIZYFSYZDH-RTBURBONSA-N 442.545 1.680 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748817457 KXSVFNBRVYTDDG-YVORESIASA-N 426.608 1.405 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](F)COC)CC1 1748986944 NDLUCAMHEYQXJR-HNNXBMFYSA-N 425.468 1.334 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749268449 ALFJLGCDKQABDH-UONOGXRCSA-N 427.958 1.428 30 10 IDEE C=C(Cl)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1749281397 BCAUABOCAYQYTJ-SFHVURJKSA-N 447.989 1.591 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C)C1CC1 1749519308 IWHHHNBZMHGZIR-IAGOWNOFSA-N 427.571 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1749730908 VGVQGKXCZQWZRH-CQSZACIVSA-N 441.517 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](COC)C1 1749738576 QLULXLNOMVVDIY-INIZCTEOSA-N 426.564 1.383 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1750075071 BBOMKFNUZRAPBN-QAPCUYQASA-N 448.549 1.155 30 10 IDEE Cc1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751905841 XEUYOENRQBPMLZ-VXPUYCOJSA-N 427.509 1.094 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCCO1 1752387496 HCRZDCIRMBZLJJ-FUHWJXTLSA-N 445.545 1.779 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760191473 IEXYBNVRQVYUGX-SFHVURJKSA-N 445.520 1.215 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1C 1760198752 HWVGORQUXWDFKR-UHFFFAOYSA-N 440.305 1.966 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1760324326 JMXICXCZVMAHGG-JTSKRJEESA-N 440.548 1.716 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760356391 MOGLLBMXEXQMTA-INIZCTEOSA-N 434.541 1.879 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNS(=O)(=O)CC)CC1 1760404909 JRSQEQUTHDXGGW-UHFFFAOYSA-N 435.598 1.872 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760512933 AWFFVEQTKCVHDB-JXHRLWIKSA-N 446.596 1.495 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1 1760515537 XCECTZIVWKKVTQ-HNNXBMFYSA-N 427.509 1.479 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCNC2=O)CC1 1760518383 SSNDNSGLUXMBHH-UHFFFAOYSA-N 444.927 1.290 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760524878 MEYZCDYFPCJKGQ-FXAWDEMLSA-N 442.539 1.467 30 10 IDEE CC(C)(C)Cc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760745579 AUGUQRFDSHWNDS-BFHZPYKDSA-N 441.536 1.108 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1760836201 RWKMWZXHSKEFMJ-RTBURBONSA-N 435.532 1.836 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCSCCCO 1763044118 MOJUEJAGFOFDJA-HNNXBMFYSA-N 428.566 1.648 30 10 IDEE CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1764006057 QBUCEFRLJCYBBK-UHFFFAOYSA-N 434.508 1.342 30 10 IDEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1766872850 LXAVQMWSDCDROO-UHFFFAOYSA-N 440.552 1.682 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H](C)O1 1769490299 WTLRKSUAKMDEJH-NMLACTOBSA-N 427.505 1.597 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1770288155 CJLSOOXTMGUBSB-IBGZPJMESA-N 445.545 1.779 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1771039716 KEIYRWUKRFBAMR-LJQANCHMSA-N 425.537 1.487 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](N3CCOCC3)[C@H](C)C2)n1Cc1ccc(C#N)o1 1771172449 QEAKYCRUGLBWIV-MBOZVWFJSA-N 444.536 1.672 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCC#CCN1CCc2ccccc2C1 1850091794 KKAVVGHZVPZDOO-KRWDZBQOSA-N 429.517 1.670 30 10 IDEE C[C@H]1C(=O)N(C(=O)COc2cncc(Cl)n2)CCN1CCOc1ccc(C#N)cc1 1855879691 NRMZDNJUDFSHGM-AWEZNQCLSA-N 429.864 1.519 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCN1CCC#N 1856193505 PNJPGJMAHZHSHB-JKSUJKDBSA-N 436.509 1.199 30 10 IDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1=O 1856466570 VKJBMOVVJMNCLJ-IAGOWNOFSA-N 438.937 1.466 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)CC1 1857294890 CPXYLVDDHAFVOC-AEFFLSMTSA-N 436.578 1.049 30 10 IDEE C[C@H](O)CNC(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932291 ZINLIYHKSDKWCU-WMLDXEAASA-N 433.555 1.524 30 10 IDEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN1CCOCC1 1870643236 LNEGLQJMJSWZBM-UHFFFAOYSA-N 441.528 1.613 30 10 IDEE C=CCn1nc(C(=O)N2CCN(C(=O)OCC)CC2)c(I)c1C 1871337391 ZUWRHEFZHZZLNY-UHFFFAOYSA-N 432.262 1.896 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc(I)n[nH]1 1985067182 PIJJNZVQZZNTKH-JTQLQIEISA-N 430.246 1.748 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2107454946 BJRUGUVIQRMNKC-NXEZZACHSA-N 432.149 1.895 30 10 IDEE C#CCNC(=O)CNC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237382027 ILGQOSPVPHLQDE-OAHLLOKOSA-N 438.322 1.751 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2247904132 MLTXDIAJVKERPJ-UHFFFAOYSA-N 444.334 1.928 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)n1 2255610019 XFEYITGYWZFUOH-QGZVFWFLSA-N 425.342 1.509 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255633204 XPZDRZWVDYWCJK-KCQAQPDRSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696930 BBSSCMGFWJLHBS-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE C[C@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255809749 CMWHOMONAVGRCS-JQWIXIFHSA-N 447.288 1.971 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255823732 YBFASWVFYZCZFN-OKILXGFUSA-N 434.346 1.752 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255825050 STPKXGRIRKRZLC-ZIAGYGMSSA-N 434.346 1.813 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2255854270 ABFXOBZZZBTRBR-LJQANCHMSA-N 425.338 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864529 WYJLWCMBVVUSPP-CABCVRRESA-N 435.330 1.414 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1CNC(=O)OC(C)(C)C 2267126604 BXPJGWJOQTUDCZ-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267274429 AEBRZZMPSYXBJS-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2267523355 AEVJTSCANJQACZ-HUUCEWRRSA-N 446.357 1.862 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267551211 JQENPRANISXDDG-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CNCCSC3)cc2Cl)OC1(C)C 2282847240 WKOIUYFPQVZOGN-SNVBAGLBSA-N 438.833 1.684 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccc1O 2330747992 FMFFYCOYPCEBHH-UHFFFAOYSA-N 431.503 1.689 30 10 IDEE CCOc1cccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72443909 XNGMGHIFJILEBZ-CVEARBPZSA-N 436.472 1.094 30 10 IDEE COc1cc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)ccc1OCC#N 108322392 TVCKSXAXCLKWHR-SFHVURJKSA-N 433.424 1.720 30 10 IDEE CN(C)CCN1[C@@H]2CCN(C(=O)C3(C#N)CC3)CC[C@H]2Oc2ccccc2S1(=O)=O 248007576 OTHFDWGFTSAOHG-IAGOWNOFSA-N 432.546 1.295 30 10 IDEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 429257564 OALKKBFNWNYBHW-GOSISDBHSA-N 430.486 1.178 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC2(CCO)CCCCC2)CC1 440898293 DEDPUUYXGLTJPX-UHFFFAOYSA-N 434.562 1.066 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2CCC(C#N)CC2)c1 441690303 QBAYEPOSMXEBRM-UHFFFAOYSA-N 434.562 1.893 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 443480556 CGNTYXZMHPFYEW-HNNXBMFYSA-N 428.308 1.379 30 10 IDEE CCO[C@@H]1C[C@](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)(C(=O)OC)C1(C)C 444564409 ZZTDYSIETPGBPT-UZLBHIALSA-N 437.518 1.274 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCNC(=O)CC1 460951263 JQLLKRPFVZPBOO-UHFFFAOYSA-N 444.561 1.632 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1)c1ccccc1 488122469 VOOCTEDVLNHRER-IBGZPJMESA-N 446.532 1.650 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1F 488970673 JHCVXKDXRMHBLR-UHFFFAOYSA-N 427.454 1.532 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 514648413 AUYVXCNJAKRFMG-INIZCTEOSA-N 429.517 1.647 30 10 IDEE CSc1nc(O)c(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1C#N 554822164 YMEIVACZCPPHKB-UHFFFAOYSA-N 444.897 1.882 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 558457054 RATSUGMBIBZYSE-GOSISDBHSA-N 432.550 1.253 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(c4cc(N)c([N+](=O)[O-])c(C#N)c4)CC3)C2=O)n(C)n1 575032484 QPNNNZFNKJKSDK-GOSISDBHSA-N 438.492 1.408 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1C[C@@H]1CCCO1 584462856 LKXDIGITAHONQX-AWEZNQCLSA-N 440.550 1.256 30 10 IDEE COCCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 609931413 NTVLMRMIPHCRDR-UHFFFAOYSA-N 432.506 1.330 30 10 IDEE C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ncccc2C#N)CC1 619510086 MFJOUGPOHXMEAO-CYBMUJFWSA-N 446.433 1.636 30 10 IDEE COc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1 727868495 SGPBWGVKOFDDKZ-LYBHJNIJSA-N 444.513 1.877 30 10 IDEE N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCN1C1CC1 732649101 PGDIEJYVTIZIMO-INIZCTEOSA-N 438.500 1.564 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CCN1C1CC1 732708863 WGDHOIMLEGXLCN-NRFANRHFSA-N 431.496 1.754 30 10 IDEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC[C@H]2CCCO2)c1 737304950 DMNSENBVSKSYJM-MVZUJROASA-N 442.472 1.134 30 10 IDEE C#CCSCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 739826043 LSDDEUKADCWDBG-UHFFFAOYSA-N 433.349 1.285 30 10 IDEE C#CCN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 749283495 DRFYLJSBEVNFFC-YLJYHZDGSA-N 437.993 1.715 30 10 IDEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCOC2)C1=O 751681800 DKNKHLCSEYVSCS-FUHWJXTLSA-N 429.546 1.737 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H]1CCS(=O)(=O)C1 774264383 VXAYCOZJONRCNW-OCCSQVGLSA-N 427.885 1.416 30 10 IDEE C=CCn1c(C)nn(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1=S 780765561 MXIZSJNVVCFPHO-GOSISDBHSA-N 444.609 1.721 30 10 IDEE N#Cc1ccc(C2(C(=O)OCC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 781391351 COAKSKJLCNUFQW-UHFFFAOYSA-N 447.491 1.922 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 782532141 YNDQUJPHNQFBPZ-OAHLLOKOSA-N 430.509 1.411 30 10 IDEE C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 783633929 QFQHVQSWQLAXDA-CJNGLKHVSA-N 429.454 1.594 30 10 IDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 788076274 AIDTXKSPICJHKF-RMKNXTFCSA-N 429.502 1.297 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)n1cnc(C#N)n1 798354464 XDAVDYBBFBVAGZ-GFCCVEGCSA-N 442.423 1.263 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H]2CCOC2)CCN1C1CC1 802759344 JJRKXHGUHMWLQX-RDJZCZTQSA-N 446.515 1.807 30 10 IDEE COc1cc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1C#N 811879265 SZKKOPAYYNVVBV-UHFFFAOYSA-N 434.440 1.928 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCc2cccnc2C#N)CC1 813161526 GJYRQZUTOWTTAE-UHFFFAOYSA-N 443.481 1.884 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)Cc1ccc(C#N)cc1F)CCO2 814397743 MWOXEORWRBUJFP-UHFFFAOYSA-N 425.482 1.849 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)cc2c1OCCO2 839233165 WJCOJYKRURRRIW-UHFFFAOYSA-N 431.473 1.765 30 10 IDEE C#CCN(C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)[C@H]1CCS(=O)(=O)C1 918756031 KTBDRSNGMQFVHF-AWEZNQCLSA-N 433.555 1.376 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)NC3(c4cccc(C#N)c4)CCOCC3)CC2=O)cn1 1131146317 JCUJOHZHINZIAV-SFHVURJKSA-N 437.500 1.576 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)s1 1141459366 KFXQGVJBZBZUIZ-ZDUSSCGKSA-N 437.518 1.816 30 10 IDEE C#CCN(C)CCCNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1141581006 PYMKSZVEPHMJEG-QFIPXVFZSA-N 439.553 1.406 30 10 IDEE C=CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCOCC1 1146466166 QQBNCLMMCAQWKN-ZACQAIPSSA-N 442.578 1.898 30 10 IDEE CCS(=O)(=O)N(C)c1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1147762941 BVAMZFGLNFBNNP-UHFFFAOYSA-N 435.527 1.898 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2ccncc2)c1 1150295104 NCFWZUXYMBNKMP-RTBURBONSA-N 430.482 1.274 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 1152968021 XKGRDCPLZRIJBL-UHFFFAOYSA-N 432.527 1.226 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCCC[C@H]12 1157893971 WCWGTIWVAHFOGT-LVNJIZSUSA-N 437.562 1.953 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(CO)(NCC4CC4)CC3)ccc2c1=O 1161568278 WTTXJDHIIDUKPN-UHFFFAOYSA-N 428.558 1.838 30 10 IDEE Cc1c(O)nc(CCN(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1O 1178893302 IJIZLINRBQNUAV-ZDUSSCGKSA-N 429.864 1.775 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 1194290498 HCQVXAQDIPSJLQ-INIZCTEOSA-N 439.607 1.880 30 10 IDEE N#Cc1cn(CCNC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c(=O)nc1O 1203222193 AQRWYJVRIPNGBX-UHFFFAOYSA-N 433.350 1.847 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]32)c(=O)nc1O 1235705131 MVDJTDRVSNWPPF-RBSFLKMASA-N 430.262 1.221 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Br)cn1 1286378460 TUZPEKNEPPECJQ-UHFFFAOYSA-N 448.350 1.998 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1286390103 XBKPKMHCGGOXMO-QGZVFWFLSA-N 444.561 1.303 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286395734 UJCFONZLZQIVMP-KRWDZBQOSA-N 447.536 1.159 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1286479657 NTOMMEBYGSXGNC-XMSQKQJNSA-N 442.951 1.546 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)[C@@H](C)CC)CC1 1286645324 BEBKVBIZXQGBKS-ROUUACIJSA-N 440.614 1.498 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1286746213 RULHVPWQMOKHBI-IBGZPJMESA-N 446.573 1.914 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1286778709 DLUZTYBVVDCKQT-CABCVRRESA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCCCO1 1286789561 FQNYTLMFYQJVSV-OAHLLOKOSA-N 432.550 1.577 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@]1(OCC)CCOC1 1286793794 MFQAFJYHBHVFDJ-KSSFIOAISA-N 437.451 1.753 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1286820804 RZPMYVUALFBPJI-UHFFFAOYSA-N 433.582 1.597 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1297664487 VHVPNJJUENXUAD-WIYYLYMNSA-N 448.571 1.700 30 10 IDEE COc1ccc(COCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1300235605 HXYXECQRPBHIAF-LJQANCHMSA-N 440.504 1.355 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCOCCS(C)(=O)=O 1300315507 YOIGWRVOHFAPDH-INIZCTEOSA-N 430.534 1.036 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1300497494 ZGRGFDZTEGPHTA-DLBZAZTESA-N 442.607 1.262 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1300580589 DZLATFQAWZYIQD-QGZVFWFLSA-N 428.537 1.949 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1300726568 PSPHCNLHSAPBKR-ZHALLVOQSA-N 447.605 1.582 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cnccn1 1300877388 XMUYLWOYJQYXKI-JZXOWHBKSA-N 449.581 1.338 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OC 1309762276 RXPXGCUUQUIDRW-ROUUACIJSA-N 440.518 1.451 30 10 IDEE CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315155083 GCAPYOAVZSAEMD-HNNXBMFYSA-N 429.500 1.789 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1358917817 BYHPKZRRSNUVQB-WMZOPIPTSA-N 439.582 1.324 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358960985 PNCSFGFSENGWOH-SQNIBIBYSA-N 431.562 1.583 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358961084 RHQSJQNFFJMGAQ-HNNXBMFYSA-N 445.574 1.373 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358964466 ZLAJEROBVXACTN-ROUUACIJSA-N 432.550 1.004 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1358968859 ASGOVYQSTRZYKG-MRXNPFEDSA-N 427.530 1.334 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1358982594 CHEPJKFAAOYXOX-QFIPXVFZSA-N 442.541 1.042 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1358994615 SDDAYLGWQDXJQS-GOSISDBHSA-N 447.586 1.492 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1ccnc1C 1359023819 XSEIFJDWVWMSQW-UHFFFAOYSA-N 432.488 1.885 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359033368 ZMAPJFXCSDNXDR-FQEVSTJZSA-N 438.557 1.539 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1359064115 LHQHUJXMNFMHRD-LDBYXDLTSA-N 429.546 1.884 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359132566 AJWLJYCCVANLNA-HXUWFJFHSA-N 447.580 1.840 30 10 IDEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359224292 MEVOBOKSBSAVBH-KRWDZBQOSA-N 442.520 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359294375 RRKWCYWIYWSJQJ-HXUWFJFHSA-N 441.448 1.186 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359303014 BBYHVDGGLADOKM-LJQANCHMSA-N 437.548 1.312 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359330358 OVCUSFRTEUBGCS-HXUWFJFHSA-N 434.566 1.175 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1439726906 MKCHLLYBIRDBMI-UHFFFAOYSA-N 443.525 1.823 30 10 IDEE C#Cc1cccc(CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1 1451442672 RJFNQBTWZGKEOX-UHFFFAOYSA-N 427.526 1.745 30 10 IDEE Cn1nc(I)cc1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454874355 GFRTWUXPCLQPCO-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE Cc1ccc(-n2cnnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1C 1456203741 CINVSEXKIRYPBT-KXBFYZLASA-N 431.543 1.373 30 10 IDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1467990940 GQZSVPWLHDNVOB-OAHLLOKOSA-N 428.507 1.300 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ncc3c(n2)CCOC3)C1 1469830322 RVCCHXPPSVQUOR-UHFFFAOYSA-N 428.290 1.936 30 10 IDEE C#CCN(C)CCCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1470355744 IVZBDYAWJABCDK-QGZVFWFLSA-N 436.553 1.574 30 10 IDEE C#CC(C)(C)N(C)CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1473378520 IDWAPPIVVVAXKL-UHFFFAOYSA-N 425.533 1.912 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1497618422 RLCPENQKPFBUAV-AQMPTVPWSA-N 437.504 1.872 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCSC1 1503103395 DRAJPNXQMRDVEU-HXUWFJFHSA-N 429.550 1.276 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1507630855 IXNOJPXGNSKXTC-MRXNPFEDSA-N 428.543 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1507666858 HDYOZICUFGGFDD-YTTGMZPUSA-N 448.552 1.566 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1507844077 BRXPXLHOOARJQT-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508081253 IKTWZXDNMCLBIZ-LPHOPBHVSA-N 428.512 1.543 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)C1 1508105104 LLKVAIZRZQYDQW-UHFFFAOYSA-N 447.499 1.817 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1509846566 FOUOYWQJCQGRSG-UNEBPCJRSA-N 444.536 1.387 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1515392367 BIBQIDHAQNDNOF-PXNSSMCTSA-N 447.586 1.698 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1518849553 QBXZOAVBWIYCFO-WFJJUKAGSA-N 444.536 1.561 30 10 IDEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1519055243 YDFLNPVVTDMYBF-SFHVURJKSA-N 445.545 1.372 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1519605496 BIECRCYFRZOWOX-IBGZPJMESA-N 444.561 1.761 30 10 IDEE C#Cc1ccc([C@H](OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C(F)(F)F)cc1 1525703821 FYWTYUDNKITOFK-YOEHRIQHSA-N 442.415 1.980 30 10 IDEE C#CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)[C@H]1CCS(=O)(=O)C1 1530297891 PUJLNCTYJLCSMX-KRWDZBQOSA-N 430.530 1.879 30 10 IDEE C#CCN(C(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21)[C@H]1CCS(=O)(=O)C1 1537469579 YPRFNVHRDIKJOM-AAEUAGOBSA-N 425.304 1.524 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1539045482 VLOXEQXAABWSNI-UHFFFAOYSA-N 429.569 1.948 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539212784 XYALXUXVVKWNMR-ICSRJNTNSA-N 443.573 1.293 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1539630735 GULIXKRXCXHZOR-WMZOPIPTSA-N 425.599 1.930 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540869001 YZJRVPQVTCWKRB-UHFFFAOYSA-N 442.524 1.342 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1541803165 DJDXKRUSVUQGBV-CRAIPNDOSA-N 446.533 1.564 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3cccc(C#CCO)c3)cc2)CC1 1546289271 DQTMLLBLVUDZQJ-UHFFFAOYSA-N 449.551 1.546 30 10 IDEE CCn1cc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cn1 1547614641 POLZCMSOANGLKN-HNNXBMFYSA-N 429.506 1.546 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccsc2)n1CCNS(C)(=O)=O 1554165560 YHMRDQNZAMFLAN-UHFFFAOYSA-N 430.559 1.988 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1554869200 RJJXTBUWNYJCLQ-QVKFZJNVSA-N 426.477 1.169 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC[C@H]1C 1555173592 UUZBXBPOWFZYSW-UZLBHIALSA-N 436.520 1.852 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)F)CC1 1555991678 ZVROSEXDAGHCDT-OAHLLOKOSA-N 446.462 1.104 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NN2Cc3ccc(Br)cc3C2=O)cc1 1557547100 NAPGLPGPGOZGRG-UHFFFAOYSA-N 448.298 1.923 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)cccc3C#N)CC2)cc1 1561105957 UGUFVDVAFNAFSF-UHFFFAOYSA-N 447.538 1.765 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1588064173 CDEAAGPHLTZRJO-KRWDZBQOSA-N 435.500 1.936 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588149357 PBRUXVZEPPCGPF-GOSISDBHSA-N 432.450 1.600 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COC[C@@H]3c3ccccc3)CC2)cc1 1588158615 WVMCVOZGXYBBFD-NHCUHLMSSA-N 425.510 1.821 30 10 IDEE C#CCN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1596141684 FCWAEMUJYWSZJZ-UHFFFAOYSA-N 439.509 1.948 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)C1 1611766861 CTTXLXBHZIAJQU-RDTXWAMCSA-N 437.957 1.860 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC 1619597571 VROFKHGRKURMCX-YJBOKZPZSA-N 428.493 1.755 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)cc1 1620350408 FJKYTEUNNVAQQV-SFHVURJKSA-N 426.502 1.370 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC(CS(C)(=O)=O)CC2)c(C#N)cn1CCOC 1623545034 ATICMCKMHMNBPM-UHFFFAOYSA-N 440.522 1.471 30 10 IDEE N#CC[C@@]1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 1630965694 AYHBAQBPBACQLM-JOCHJYFZSA-N 425.510 1.924 30 10 IDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C)NC2=O)c1 1631562555 AXLQTSGQEVLOND-SFHVURJKSA-N 448.932 1.796 30 10 IDEE O=C(NO)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 1635200464 AMJDLJGMFKQGMW-CYBMUJFWSA-N 443.934 1.990 30 10 IDEE C=CC[S@@](=O)(=NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccccc1 1636976433 XYHPCUOVEXQAIM-WNNBVUDTSA-N 447.538 1.927 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1638075377 QLEKMVYHJYTJBA-MRXNPFEDSA-N 431.480 1.978 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 1639968793 OIQIIRAGTMMVKS-UHFFFAOYSA-N 437.449 1.600 30 10 IDEE Cc1c(C#N)c(=O)n(C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c(=O)n1C1CC1 1641346803 DWGSXZYTGSXVPV-AOMKIAJQSA-N 430.505 1.941 30 10 IDEE C=C[C@H](CO)NC(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1642070155 PMBMAMNANQPFSL-LLVKDONJSA-N 425.532 1.756 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)c1 1644639531 RGXJWEHHTZGXJF-OAQYLSRUSA-N 425.554 1.987 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)ccc1F 1645689073 SCZZGRWSFIWQHB-AUUYWEPGSA-N 425.482 1.641 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 1654771793 CHFJBBKMIQWGPL-UHFFFAOYSA-N 425.510 1.989 30 10 IDEE Cc1ccc(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1654984217 JKUSYAUZPJTLLP-LJQANCHMSA-N 430.530 1.721 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689864766 HZGUOROTLVMCEU-IRXDYDNUSA-N 447.561 1.605 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CCCO1 1690100796 CHKWQXDCRDLMOJ-QHCPKHFHSA-N 436.516 1.847 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1693219025 QTLWSWWRSLYPBV-HRAATJIYSA-N 441.467 1.596 30 10 IDEE CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1698304724 CLACAXIVZRMMFH-SQNIBIBYSA-N 442.545 1.407 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705508254 SBAZVDNLKLPREQ-HNNXBMFYSA-N 440.470 1.822 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705569642 IYZLGMLMOZOUHD-AZUAARDMSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1705573819 ONXAWAISHIBOOA-QGZVFWFLSA-N 445.520 1.666 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1705612178 BKRBLMVUXWAZMD-KRWDZBQOSA-N 429.546 1.895 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705640731 CHPGTSMOOYWLLX-UHFFFAOYSA-N 435.576 1.668 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705708654 FPARXNXTGXYARS-UHOSZYNNSA-N 446.552 1.562 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705830060 IQKQNGBYGVRYMU-IAGOWNOFSA-N 434.566 1.500 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1705843737 MOKGBHKLIBUESX-VQIMIIECSA-N 441.623 1.010 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC)C1CC1 1705853441 ATKUTXIKBPIPKQ-QFBILLFUSA-N 427.571 1.317 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705900266 XBCMGQLBNAAHPD-UHFFFAOYSA-N 435.536 1.319 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705908654 SVPVCWKWYAOZQO-ZWKOTPCHSA-N 441.488 1.836 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1705912318 GOZUKJPXIMIOQJ-NVXWUHKLSA-N 446.533 1.230 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705932897 NFPHPOUENVBXPC-IBGZPJMESA-N 426.546 1.722 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705946378 GRQZMFXUBLAUGC-IKGGRYGDSA-N 442.607 1.484 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCC[C@H]1C 1712561219 HVNYDLXUULYLTD-VRVBVOGLSA-N 432.569 1.730 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)CC 1722277482 NBVOURXTUYTXHI-OAHLLOKOSA-N 432.550 1.132 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722340478 ACXBBBJTRDZHCH-CVDCTZTESA-N 445.564 1.560 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)C(C)(C)C 1722386957 CTXPMIFRUQQARK-UHFFFAOYSA-N 435.594 1.873 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1722413770 RIEMDJMSVHJKBX-IBGZPJMESA-N 443.573 1.584 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(CC)c2)CC1 1722435964 SSPQBXAUWCUUKV-UHFFFAOYSA-N 435.532 1.982 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1722501337 OQEVFTMBGGLVEN-MSQSPTIYSA-N 433.553 1.613 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722532217 GBQYFDHJQGBRFU-RTBURBONSA-N 432.569 1.371 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722534935 SSFCBXQGPQUXNS-AWEZNQCLSA-N 441.458 1.776 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1722687444 ZSDYGBDIKZUBMR-UHFFFAOYSA-N 431.544 1.888 30 10 IDEE C=CCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1722691047 OYRNTZZMEGFGRD-CVDCTZTESA-N 440.548 1.465 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1722726247 ZUVYNVXPDWMBFK-GOSISDBHSA-N 436.582 1.721 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1722739990 ZNIUPWPGLMTZGY-JKSUJKDBSA-N 429.612 1.767 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCCCO 1723964342 SFPYHVSPEQVFNM-UHOSZYNNSA-N 446.577 1.794 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1726514825 MQEWWKNADRRMCO-KBPBESRZSA-N 429.550 1.775 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1728207002 ASHDUPLZJSHCOD-QFIPXVFZSA-N 440.504 1.251 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CCO1 1730590122 VTFVXOSJORFFSX-LJQANCHMSA-N 426.521 1.831 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1731188006 AUFUPYFIVLLJIE-LJQANCHMSA-N 435.463 1.567 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCCN1CCN(c2ccncc2)CC1 1740612663 XKECUWSIWHCJBR-UHFFFAOYSA-N 430.560 1.941 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740620847 SDDPOSOTMZVYCS-SFHVURJKSA-N 444.557 1.886 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1740640147 ZGMCBMIWNAQVGW-RTBURBONSA-N 443.573 1.929 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740678582 OSXBUKOTWRWGLU-WNRNVDISSA-N 425.533 1.469 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1740685827 MYDWOXWOVWNAIG-SFHVURJKSA-N 437.610 1.388 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCC=C)CC1 1740689275 UHTYVNCOUYVQMW-UHFFFAOYSA-N 434.544 1.882 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(C)(=O)=O)CC1 1740703596 YFLOSZLDBCTECR-UHFFFAOYSA-N 449.964 1.609 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 1740709122 ASKVDSABWITIRV-UHFFFAOYSA-N 441.561 1.774 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740710076 QFVUZZJEDBRMEH-UHFFFAOYSA-N 436.582 1.840 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740712909 YGTGUHRPJMQQFA-UHFFFAOYSA-N 442.545 1.140 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740717871 BTZOPMXTKXMFNT-GOSISDBHSA-N 434.610 1.185 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740750968 WKBKMXWUFUVMOL-SUNYJGFJSA-N 442.358 1.873 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740759233 BEHZYZOHYKCCTI-LXZJYRNTSA-N 444.580 1.951 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1740963193 COUJTFZRFWFIQJ-LJQANCHMSA-N 440.548 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(CO)CC1 1740992154 BUBWYTMJCIWGDY-UHFFFAOYSA-N 425.580 1.443 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1747624220 UIPBLELNZIHDHF-QZTJIDSGSA-N 431.518 1.246 30 10 IDEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1748273855 ONHTYRJFTPPMTI-INIZCTEOSA-N 441.511 1.646 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1OC 1748669706 HTSQCSGDLIXTKF-HRAATJIYSA-N 429.477 1.497 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748817276 HSIVNHGRHPIOFC-CEXWTWQISA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1748860112 WISHIUIAEBDMIC-QGZVFWFLSA-N 433.559 1.102 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1748887073 RQRNYJQCXHFUOZ-UHFFFAOYSA-N 445.527 1.662 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1749009879 MHVSNTSVTZSZRG-UXHICEINSA-N 430.597 1.724 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCSC2)CC1 1749010899 RYSBTBZDELSNRE-JOCHJYFZSA-N 425.558 1.779 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749682861 BHMVJWDWXNKBPT-SXKCCIOGSA-N 449.552 1.079 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749727193 PHDFQHBIKPXAOK-NRFANRHFSA-N 445.545 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1 1749735744 VVZAIVLIUXQLFC-ZDUSSCGKSA-N 438.522 1.017 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1751284849 KYTRIUGGSCTLQC-JKSUJKDBSA-N 425.449 1.497 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1752353005 VLPJUFVIHMIADM-SJTPKYKMSA-N 430.509 1.314 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC(OCC)C1 1760110299 NSMBYYJFVHMONL-FQWCMUAHSA-N 446.577 1.626 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760184741 KZPWWDBZVUEZIN-IBGZPJMESA-N 443.573 1.676 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCCC(C)(C)C2)CC1 1760256764 KLIYZUJCSUGGCX-HXUWFJFHSA-N 432.613 1.879 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1760259286 JYGGPMWQZPKOLS-OAQYLSRUSA-N 438.576 1.526 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@H]2CO)CC1 1760382786 YFPCARFMNCMUAJ-MSOLQXFVSA-N 440.614 1.282 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760504771 BBSQDQYVALMCME-UWVAXJGDSA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760527384 VBGPDKGSXKXAJK-GCJKJVERSA-N 443.552 1.216 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760554321 ZPXWRQARCTUZOA-MRXNPFEDSA-N 432.550 1.212 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1761449631 FFIGJIFBAOQPSI-HNNXBMFYSA-N 448.549 1.076 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1767494680 ADDHXUWUCWAUBU-WDEJMAQOSA-N 448.499 1.251 30 10 IDEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1768740525 DNAMOOWGIZGJJK-GOSISDBHSA-N 441.517 1.865 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCOCC1 1770460333 FXVMSYCUVCAOLX-LJQANCHMSA-N 426.521 1.329 30 10 IDEE C=CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1)[C@H]1CCN(C)C1=O 1849167112 JMNNGZMRZUPOEX-RBUKOAKNSA-N 435.546 1.484 30 10 IDEE CCN1CCN(CC(=O)Nc2nc3c(C#N)nnn3c3cc(C(F)(F)F)cnc23)CC1 1852639800 UAWDTQCXXWPCOD-UHFFFAOYSA-N 433.398 1.139 30 10 IDEE Cn1cnc2c1CC[C@@H](C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N)C2 1853167471 CAMKBPWLHZOUTR-CYBMUJFWSA-N 434.953 1.872 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)cc1 1853621861 AWZQOIITGYKJAE-UHFFFAOYSA-N 427.482 1.559 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)cc1C 1854642131 NWZQXKDRIZSTNA-HNNXBMFYSA-N 427.482 1.937 30 10 IDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)CCc1ccccc1 1854748338 HXSXGGVGWFUOKR-UHFFFAOYSA-N 426.498 1.589 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1Cl 1865730050 XCGSKQSLHBFZNI-HNNXBMFYSA-N 442.903 1.633 30 10 IDEE CC(=O)NCCC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(C#N)cc1 1866803398 UZLSCBCIBUBLMS-NRFANRHFSA-N 436.468 1.676 30 10 IDEE Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCN1CCOCC1 1870089274 LKMSMLWOKHUMJO-UHFFFAOYSA-N 442.541 1.928 30 10 IDEE COc1cc(C(=O)NCC(=O)Nc2c(C#N)nnn2-c2ccccc2)cc(OC)c1OC 1870140362 NMDYQERBCXJRMN-UHFFFAOYSA-N 436.428 1.533 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1872919804 KEGPGCZXOUAUEF-MRXNPFEDSA-N 445.516 1.606 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873561956 HCTVGLDDAACIKP-UHFFFAOYSA-N 439.564 1.485 30 10 IDEE C#CCOCCOCC[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882549975 TWXZOQRPELNQQQ-JWRCQZCYSA-N 425.503 1.560 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2011939635 OYJJPIIQVRESTI-XXBNENTESA-N 428.533 1.985 30 10 IDEE CC[C@H](C#N)N1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164488830 YSFOGOQLMGVLRE-FOIQADDNSA-N 436.509 1.260 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255524318 QGGQUBABPFHZLD-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255610380 NLSKXEFZVOMDAM-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255623390 MLGADDUEZIPZDA-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2255679630 HZTXESKEOMHYCG-OLZOCXBDSA-N 435.334 1.290 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828751 WYMWBMVRQQXDED-KBPBESRZSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255870777 ODLUIQUBWYSBHM-CABCVRRESA-N 433.314 1.403 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)n1 2267189547 BTZKNVUWXGHRFU-RYUDHWBXSA-N 442.247 1.097 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2267239141 NVIOYDRLNHDMSB-RCDICMHDSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267266405 CMAJYXYQGZVQSK-AEFFLSMTSA-N 446.353 1.943 30 10 IDEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 2267283970 WCUJZRWBBKOQEZ-MRXNPFEDSA-N 448.373 1.595 30 10 IDEE N#Cc1cccc2c1CN(S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2286057593 PQWDUHFTHWLLOK-SFHVURJKSA-N 429.454 1.583 30 10 IDEE Cc1cc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)ccc1Cl 105480634 LVDLBYKAIPDCNB-UHFFFAOYSA-N 442.863 1.582 30 10 IDEE N#Cc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)c1 257185188 WELXIAAPJJBPTC-UHFFFAOYSA-N 440.525 1.601 30 10 IDEE Cc1cc2c(N3CCN(CC(=O)N4CCN([C@H](C#N)C(C)C)CC4)CC3)ncnc2s1 444696465 IIIQPRXSRICHPQ-LJQANCHMSA-N 441.605 1.814 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC(=O)N1Cc1ccccc1 466797585 VOYBGSIJRCDLJZ-JXFKEZNVSA-N 440.525 1.798 30 10 IDEE CN(C)CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCS(=O)(=O)C1 467648787 BWSUSTNRRUVLOK-GOSISDBHSA-N 428.514 1.936 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCc4ccccc4C3)CC2)cc1 471395896 HHKRDGZEJTXODC-UHFFFAOYSA-N 438.553 1.840 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN3c3ncnc4ccccc34)CC2)c1C#N 472988324 AIABSIVLJMFYEY-HXUWFJFHSA-N 430.516 1.861 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3cc(C#N)ccn3)CC2=O)cc1 477418382 VTQMAOQBBJOEPO-MRXNPFEDSA-N 441.513 1.975 30 10 IDEE COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 481016106 AQEVGMASAUDNMY-OAHLLOKOSA-N 437.474 1.770 30 10 IDEE Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503624886 LMBXIIGPXITUAB-UHFFFAOYSA-N 430.486 1.265 30 10 IDEE COc1c(F)cc(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 505148686 LEMNMZLTTKKQMD-UHFFFAOYSA-N 447.488 1.966 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 511079895 GOJGHTKRILTYHQ-KRWDZBQOSA-N 431.480 1.529 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(C(=O)N3CCCC3)CC2)CC1 537257995 AHJPZNIFDSFWHS-IBGZPJMESA-N 429.590 1.791 30 10 IDEE CC(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549843899 ZMNAJCLWTVHJKK-GOSISDBHSA-N 444.561 1.821 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1Br 558777580 IMGATYBKWDHEAO-UHFFFAOYSA-N 448.364 1.509 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)C2)nc1 562866407 NZOFHBMRHPTUOL-VGSWGCGISA-N 445.479 1.409 30 10 IDEE N#C[C@@H]1CN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CCN1C1CC1 732651487 BJJLZZVLLCYJGL-OAHLLOKOSA-N 433.306 1.763 30 10 IDEE COC(=O)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)c1ccc(C#N)cc1 740178108 HZBYRHNQMGPRQO-SCLBCKFNSA-N 432.454 1.691 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCc2nnnn2C)C1=O 771541457 MBNWFIXQGCHBHL-LBPRGKRZSA-N 442.332 1.827 30 10 IDEE NC(=O)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cc1 784125101 MSBFVVZMQLAVIT-INIZCTEOSA-N 441.517 1.068 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n1 791018840 XYTCSLZAWMTZFM-OAHLLOKOSA-N 443.435 1.592 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCCCC(F)(F)F 794673550 RYCUTYFUCXRJMC-UHFFFAOYSA-N 443.447 1.501 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccccc1 802328575 UFYIOYFPNYKSJJ-APWZRJJASA-N 443.577 1.308 30 10 IDEE Cc1cc(C)c(N2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)c(C)c1 811415961 YLARVGZBSVFWOR-LJQANCHMSA-N 440.525 1.684 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 917687779 DRYYUCWSJUTKMR-LIKLMLJFSA-N 436.559 1.892 30 10 IDEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n[nH]1 1083924011 XPLVOUVRCXFEMZ-UHFFFAOYSA-N 428.478 1.795 30 10 IDEE CCCCn1c(N)c(N(CCOC)C(=O)c2cc(C#N)cc(N(C)C)c2)c(O)nc1=O 1124300370 FOMMTCWATPAOPT-UHFFFAOYSA-N 428.493 1.562 30 10 IDEE COC1(OC)CCOC[C@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1148245379 BUPZXLHNYFEYQU-QGZVFWFLSA-N 439.534 1.180 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC(O)(C(N)=O)CC1 1155732928 GYROBWVZRZMBMU-KRWDZBQOSA-N 428.489 1.231 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1163651967 GTQIQFBYZLNGLT-FQEVSTJZSA-N 442.541 1.834 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cn1C 1176612492 UMIDNKWAGYQCKD-UHFFFAOYSA-N 440.375 1.482 30 10 IDEE CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 1208513577 LIKRWUJMXMCHPF-KRWDZBQOSA-N 425.411 1.542 30 10 IDEE C=CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 1221491023 VDPDMVYPFCUIGF-GOSISDBHSA-N 437.562 1.757 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)n1 1222551254 AMCZZRRVQBIQFP-GOSISDBHSA-N 442.442 1.248 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)[C@H]1c1ccnn1C 1266809839 WRKJPKHAFDTFPM-OLMNPRSZSA-N 446.305 1.852 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCn2cncn2)c1 1286308513 AJXURQVGMWDEAL-UHFFFAOYSA-N 429.488 1.632 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1286324787 RHPPBBHLADNSMZ-ROUUACIJSA-N 439.582 1.420 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1286400937 LUADUAMIMWHZDW-XXBNENTESA-N 437.548 1.406 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1286464458 BATABCHBMPNBSG-SFHVURJKSA-N 442.495 1.193 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccc(C)cc2)CC1 1286481864 JPTAQYDVSIOWSO-UHFFFAOYSA-N 443.555 1.758 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286710151 OCCYGNGLUHXFBV-HXUWFJFHSA-N 446.596 1.857 30 10 IDEE C=CCCOCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OCC)CCOC1 1286716568 PMSZJMILJANLOX-SVMVAKDDSA-N 433.553 1.580 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1286744347 HUJLPOTZTNICPA-CQSZACIVSA-N 448.528 1.397 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCOC2)cc1 1286794492 IPOLUVIYFSHGIL-DOTOQJQBSA-N 435.550 1.727 30 10 IDEE CC[C@H](O)Cn1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nn1 1293136035 BSJSWXGWISJESY-FUHWJXTLSA-N 447.337 1.834 30 10 IDEE CCOCc1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1Cc1ccc(C#N)o1 1297293980 WCHISBNRDVWSJY-INIZCTEOSA-N 429.525 1.364 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)c1 1299950928 FSELUJGFADYOSF-OXQOHEQNSA-N 442.520 1.412 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1300344744 HTQTYFCBATVATD-SFHVURJKSA-N 441.557 1.963 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1300482462 FORTUXBNNUNZDR-YJBOKZPZSA-N 437.516 1.794 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1300621508 MKROMHYGDFGWGX-ZWKOTPCHSA-N 426.521 1.664 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)NCCC)CC1 1300718107 AWJJRAQYLROWGC-UHFFFAOYSA-N 426.521 1.729 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 1301130601 CQZPCPKYUPRENB-RDJZCZTQSA-N 448.589 1.903 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1301257886 FVESXZJLBXDUMI-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1301272112 BRHSFXYLPTWWGO-AWEZNQCLSA-N 435.554 1.652 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(=O)N1 1301334624 PJLVTAKORWPALL-QGZVFWFLSA-N 426.521 1.896 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCS(=O)(=O)C2)C1 1301567443 WQOOCTVPFSXUER-MOPGFXCFSA-N 448.593 1.746 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCNC3=O)cc2)c1 1302522522 XVYVKLONEUFMTI-UHFFFAOYSA-N 428.514 1.606 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1314567267 ITZIZANMDBJQKQ-WENCNXQZSA-N 428.518 1.616 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1320064034 TZETXFMNVMVQDK-IAGOWNOFSA-N 428.938 1.677 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CNC(=O)c3ccccc32)c1 1354286286 QBRRTDIABHCLHS-LNUHTHKGSA-N 426.498 1.965 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1358976302 YTLNDCABTKPNGH-JOCHJYFZSA-N 429.528 1.652 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCN(C)C1 1359019712 DTXWAMNAXNFGCD-QHCPKHFHSA-N 435.532 1.488 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359043253 NMUALQQACLZLGO-QUCCMNQESA-N 440.548 1.301 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 1359302223 ZTVZRHLOKBMJIX-UHFFFAOYSA-N 440.523 1.805 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)Cc1ccccc1 1359470559 AGWJXMFNQKINJJ-MRXNPFEDSA-N 425.518 1.946 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C#N)o1 1360241675 WAXLNHAWDQUIRA-INIZCTEOSA-N 441.536 1.619 30 10 IDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1437631113 HYOLDTFHIINPQG-OAQYLSRUSA-N 449.529 1.140 30 10 IDEE CS(=O)(=O)Nc1cccc(F)c1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1445559891 GLLKTDLAYDIWKP-UHFFFAOYSA-N 443.453 1.564 30 10 IDEE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)cc1 1453215383 LUIAAWJNMJWEAC-RDJZCZTQSA-N 428.514 1.629 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1457380870 BDJGFXWZNSXCDS-UHFFFAOYSA-N 445.335 1.192 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1464128421 KUYIPPNQPHTEKM-KTKRTIGZSA-N 427.482 1.493 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)CC2)cn1 1464966596 ADXAHSFZZFNQHG-UHFFFAOYSA-N 449.515 1.578 30 10 IDEE N#Cc1cn(CCNC(=O)C2CCN(c3noc4ccc(Cl)cc34)CC2)c(=O)nc1O 1470359980 ACLBUVDEQWIPHQ-UHFFFAOYSA-N 442.863 1.648 30 10 IDEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1475892546 STKFDINBGPCKMO-NVXWUHKLSA-N 435.502 1.126 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 1502962446 MIUBXVSXYLKIGI-YGDDZIOGSA-N 441.532 1.866 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1504610534 CIAKTSRQEGYVON-LZLYRXPVSA-N 428.468 1.428 30 10 IDEE CO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505111776 OUJDSGYRUQBZJE-IJYGLTAASA-N 428.518 1.682 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2COCCO2)CCO1 1505321627 CYRISZBZHSCVPZ-NEPJUHHUSA-N 440.323 1.913 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1507588036 DYJLQRXNYVARQR-OAHLLOKOSA-N 447.483 1.723 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cc(OC)ccc2n1C 1507638012 NTXQLMVSTQIWNA-UHFFFAOYSA-N 431.500 1.531 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1507711172 PJVOGCCRGBXQLM-IRXDYDNUSA-N 446.529 1.106 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)C(C)(C)C)CC1 1507736529 MCWSNKTYQDUXTH-UHFFFAOYSA-N 439.564 1.412 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1507954982 TVBZMZQHZPAJRB-KRWDZBQOSA-N 439.582 1.727 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1508090330 HUFYRIWOIUEASY-MRXNPFEDSA-N 441.492 1.319 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1517039092 SGXPMJPBCQLENS-DPPKGPFUSA-N 433.472 1.568 30 10 IDEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCSCCCO 1517395206 JFZXOSWSJPBGJE-UHFFFAOYSA-N 439.545 1.934 30 10 IDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1528123710 WEQSVGGHKWCHGW-HUUCEWRRSA-N 435.488 1.883 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCCn2ccc(C(=O)OC)n2)c1 1528411245 ASJKRKYNTKIMEC-UHFFFAOYSA-N 438.484 1.323 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCN(C)C 1538973950 QEWPCJLVSJRGQZ-MRXNPFEDSA-N 447.609 1.583 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCN2CCOC[C@@H]2C)c1 1539046267 PCDRJMZMVSBFFB-SFHVURJKSA-N 440.548 1.592 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539311483 OONGHLHJYOIPLW-OAQYLSRUSA-N 435.576 1.689 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1539427658 GJKNYADCIZVXSI-ICSRJNTNSA-N 437.548 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1539429825 CTHKFZXDNNJVKY-ZJSXRUAMSA-N 444.624 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCS2)CC1 1539468975 LGHRZSYDHHDUBD-AEFFLSMTSA-N 435.594 1.864 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1539475783 NZWSOPQZJFFFGL-QUCCMNQESA-N 438.532 1.357 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)N(C)C)CC1 1539477479 OCAWYTAIAZVVIB-MOPGFXCFSA-N 443.596 1.171 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1539491004 KBRRYPLIXOLJAM-UHFFFAOYSA-N 448.622 1.659 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539512575 DBPUNUAWDCLEPL-QVKFZJNVSA-N 446.577 1.353 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCNC(=O)C1CCC1 1539628715 SQWCUUWNLXGULW-GGPKGHCWSA-N 444.580 1.953 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540029174 YQWUJMUZOPAIKB-IBGZPJMESA-N 449.515 1.882 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1540928625 GHZPWVVRTQRJEQ-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1541116704 UAELMAUFSNLIQY-IXDOHACOSA-N 425.555 1.362 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2CC)CC1 1558073016 IRKUCKJJLVAKNQ-UHFFFAOYSA-N 435.937 1.314 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)s1 1558411834 WSNSTDSHSWHRNT-ACJLOTCBSA-N 427.548 1.492 30 10 IDEE CCOC(=O)c1c(NC(=O)NC2CCN(CCN(C)C)CC2)c(C#N)cn1CCOC 1562590909 CEHDRHKXFDRNTL-UHFFFAOYSA-N 434.541 1.330 30 10 IDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c(Cl)c1 1564723520 AKBORYSGQIPLMZ-HNNXBMFYSA-N 445.911 1.433 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1565276685 UETCFLSAEZCIAD-UHFFFAOYSA-N 435.594 1.882 30 10 IDEE C#CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@@H]1CCOc2ccc(Br)cc21 1565764507 PHLGTUULSJNUPA-OAHLLOKOSA-N 444.351 1.473 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCOCCO)C3CCC3)CC2)cc1 1584346444 PZKBSNHFMRWESH-UHFFFAOYSA-N 435.546 1.349 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCc2n[nH]c(C)n2)c1 1587689142 CEKQDPLWABGRMA-UHFFFAOYSA-N 442.487 1.461 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1587766093 OBTBMKQKJKCTDU-AEFFLSMTSA-N 432.550 1.295 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1587869419 LXQNUXYAWOUGGN-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1588040523 NZTVDALEODIDPY-IBGZPJMESA-N 427.530 1.870 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588055230 UFBKVAMHYHZQBX-AZUAARDMSA-N 443.573 1.545 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cn[nH]c2)CC1 1588908392 QHPMYKCUXPGNMY-UHFFFAOYSA-N 428.500 1.748 30 10 IDEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1594687627 VCZQZBZWSXQHGI-UHFFFAOYSA-N 437.508 1.255 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594813721 XQNWMQWIHGZBFR-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595772570 CSFSUCVLRWHCPN-INIZCTEOSA-N 447.561 1.942 30 10 IDEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1595854868 PTSYUOYSPWHCHC-GOSISDBHSA-N 440.573 1.574 30 10 IDEE COC(=O)C1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOCC1 1611370310 FPFMPJDPECJRQL-JXORXQGFSA-N 435.521 1.859 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613339169 VYILDUJYEJHZJM-SFEXGQDGSA-N 445.568 1.475 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c1=O 1614781510 ZJHHACGNICFNDD-UHFFFAOYSA-N 436.827 1.655 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1619912010 NZWZHKDDNLPKPE-KRWDZBQOSA-N 435.492 1.429 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)(F)F)CCO1 1620354934 MVQBIVXJGPCFQA-GFCCVEGCSA-N 425.371 1.581 30 10 IDEE COc1ccc([C@@H](CO)N(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1624111685 FYHJWXLOXURRCM-GOSISDBHSA-N 431.514 1.706 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CC2)c1C#N 1625440223 AXFBNPWECJUXMC-QGZVFWFLSA-N 429.502 1.259 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)s1 1635457518 ZIKUNRSXAUGYKP-OAHLLOKOSA-N 447.542 1.679 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 1636480369 OHRCGOGWZFQXID-UHFFFAOYSA-N 441.435 1.117 30 10 IDEE N#CCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1638989103 GMJIBCIWEGZLJE-UHFFFAOYSA-N 429.498 1.899 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccc(Br)cc1 1639175439 RIYJQTQYZYGBTF-UGSOOPFHSA-N 449.330 1.954 30 10 IDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCc2c(sc(N)c2C#N)C1 1639992816 IUINHPZVUUMIGW-KRWDZBQOSA-N 426.420 1.718 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1641788193 VXTUVYPYYDBPAJ-HNNXBMFYSA-N 425.514 1.867 30 10 IDEE C[C@H](CC(=O)N1CCN(c2ccc(C#N)cc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1642565226 FWWJLQZIFQEECS-MRXNPFEDSA-N 437.525 1.724 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 1643372701 XQFOZKBZXARINN-GJZGRUSLSA-N 431.436 1.301 30 10 IDEE CC1(C)CS(=O)(=O)CCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1645386142 GFIFKTQKLOYUSN-INIZCTEOSA-N 448.589 1.865 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1647944917 WCXFYTFACBCRLN-NRFANRHFSA-N 448.608 1.502 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCOC[C@@H]3CNS(C)(=O)=O)c2C#N)C1 1654419108 ZFRLHWRBKZDUQS-KGLIPLIRSA-N 440.591 1.323 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1666229742 JEHXVNWRJJAZFD-RBUKOAKNSA-N 438.546 1.755 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1673203783 YKINTRBVQQOAGW-UHFFFAOYSA-N 446.495 1.676 30 10 IDEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1674098835 FTRATAUZPHMZFH-RBUKOAKNSA-N 435.594 1.968 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(C)(=O)=O)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1674105729 UCFJGEMLFOFXDN-UHFFFAOYSA-N 437.522 1.747 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689827384 DIDPLBXJAWDDLT-MDOVXXIYSA-N 436.509 1.565 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1689852024 YRBOBRPFFDQSEP-WBVHZDCISA-N 448.545 1.066 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC)CC1 1689881344 NYDFRWMELOMYHJ-UHFFFAOYSA-N 434.508 1.186 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1690019360 GNPYQGGWFHHNTQ-HXUWFJFHSA-N 426.542 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1690035577 DBOQYBFAXKPNKO-UHFFFAOYSA-N 428.298 1.575 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690179035 KJXSXWDIBUQNQO-QGZVFWFLSA-N 425.518 1.900 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1690245679 LPGNRYDNCJASMQ-LMMKCTJWSA-N 448.593 1.840 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1690514973 BPUXBNPSGDVLGY-LOKFHWFJSA-N 425.580 1.437 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1690603914 KOGAXPIWTPKQEP-LJQANCHMSA-N 445.589 1.940 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1 1690682164 GSCKAMVINVTKNK-NVXWUHKLSA-N 435.550 1.727 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCCC3)CCOCC2)C1 1690684616 JLEVMAVRXXCPOC-LJQANCHMSA-N 446.596 1.843 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1695424591 FGOUKUZVZZSPTF-QFIPXVFZSA-N 437.504 1.764 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc(CO)nn2)C1 1698483898 LLJZDTBKYZZPDB-FQEVSTJZSA-N 446.437 1.763 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1698487698 XAWNLPSQAWKKBP-UONOGXRCSA-N 432.387 1.312 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705532682 QBCROHZNXFCADT-IBGZPJMESA-N 428.581 1.766 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1705601087 XRYCMHWYSIOQQU-UHFFFAOYSA-N 439.541 1.315 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1705603584 QTSRSNCVWZDQJI-FGTMMUONSA-N 440.548 1.648 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCC2)n1CCS(=O)(=O)N1CCSCC1 1705627762 OVULSIXXZPQDSP-UHFFFAOYSA-N 427.596 1.010 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705694473 RGIGJYKUCJOGNS-ZACQAIPSSA-N 439.582 1.411 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCOCC2)CC1 1705762926 LIGKFYBMNFOCQG-KRWDZBQOSA-N 426.587 1.157 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1705843652 KPADNFQEDRHRTR-IBGZPJMESA-N 449.577 1.875 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1705898270 HATLKNHELFAEAL-QGZVFWFLSA-N 440.504 1.773 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2ccc(O)cc2)CC1 1705907829 ZBCOFVIQUCWHRX-UHFFFAOYSA-N 438.532 1.792 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOCC1 1705930766 VKJDFJKJKUYWIR-UHFFFAOYSA-N 433.534 1.585 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(C(F)(F)F)CC1 1705934534 OTFWFQWLONRTJF-ZDUSSCGKSA-N 433.456 1.529 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCOC2)CC1 1706002385 BTGUQMILTCNEGJ-HXUWFJFHSA-N 437.548 1.454 30 10 IDEE CCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(=O)NC)C2)cs1 1709002720 ZWYZVOOOSXYDST-KRWDZBQOSA-N 437.529 1.835 30 10 IDEE CN(C)CCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1711016119 AHKMTOWGGFTMSA-FQEVSTJZSA-N 436.520 1.438 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(C)=O)c1 1712648519 WCMGYXNPFJAHGG-IHPCNDPISA-N 440.504 1.738 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCCn2cc(CO)nn2)c1 1722310708 ZOXATKZFBYCYOZ-UHFFFAOYSA-N 448.531 1.776 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(C)c1C 1722393290 YQIYKXLDOKRTHI-UHFFFAOYSA-N 426.488 1.474 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1722448706 XQXMAAJOYWKQBV-YSIASYRMSA-N 429.565 1.811 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722463048 SXCFPZMQWBDZCD-UHFFFAOYSA-N 439.545 1.151 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722522393 NMOUZUJOMXKDCC-IBGZPJMESA-N 444.580 1.689 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722697303 HRMKNMRGHJPZMW-UHFFFAOYSA-N 440.552 1.210 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1722702504 LSSHBQCXZRVQIB-JFIYKMOQSA-N 433.553 1.888 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)C1 1722719024 PQSKNHXGBVDVBR-IRXDYDNUSA-N 432.550 1.303 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C1CC1 1722727918 PUPPYTVHYFPZJL-UHFFFAOYSA-N 442.545 1.782 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1722865007 CLLPXZQNJNRKRE-HNNXBMFYSA-N 425.518 1.826 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1ccco1)N(C)C 1723941083 FACWDFXKCKGAKO-YRNRMSPPSA-N 449.581 1.914 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1724549876 GSUMHMATOWYKIX-RTBURBONSA-N 445.545 1.862 30 10 IDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1728495298 ANGAIJYEPUTVAV-CRAIPNDOSA-N 428.534 1.286 30 10 IDEE CO[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1729879824 HZMPEGMXQRCCTH-SJORKVTESA-N 439.520 1.825 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c(OC)c1 1730091825 YJYKYGBJHKPJNG-YCRPNKLZSA-N 426.477 1.169 30 10 IDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1730778133 MOWXMDOCMIKEAL-MSOLQXFVSA-N 430.553 1.797 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1740532889 MMPAWDRVWLSGQR-CVEARBPZSA-N 427.534 1.580 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1740546816 LICCELJGNIITLM-LBPRGKRZSA-N 447.421 1.328 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1740610554 FIIIWYRNJWYOMN-INIZCTEOSA-N 425.461 1.007 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740621533 NDEOWAUFPSNJDQ-QGZVFWFLSA-N 442.545 1.758 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)NC(C)C)CC1 1740692532 KRIMWMMHRGUMFJ-UHFFFAOYSA-N 440.548 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1740703854 CECAIHXBMZNNIF-ROUUACIJSA-N 439.564 1.850 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1740766284 FNSAUSASAQIOSH-CRAIPNDOSA-N 430.644 1.728 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740792923 NDMNKNFWYGADNR-SFHVURJKSA-N 425.537 1.846 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740918053 JWLGHEPMTJGVMZ-UGKGYDQZSA-N 446.573 1.914 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccs1 1740951511 HOIOVYODZWLBAD-UONOGXRCSA-N 438.579 1.594 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740956361 PXUYYGJFKJYGDR-UHFFFAOYSA-N 445.527 1.995 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1740957891 CXQIRLBXGGJDBH-JKSUJKDBSA-N 443.577 1.989 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740959913 HDQBJSIBXFPMFF-MBSDFSHPSA-N 425.533 1.881 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740961198 OJIGSUUCVAOSMQ-QHCPKHFHSA-N 442.539 1.611 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740963461 LMKZOZMNXUEMRZ-LJQANCHMSA-N 437.552 1.788 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)CC1 1740965448 PJVDDMGOXLXZNK-UHFFFAOYSA-N 430.534 1.208 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1740993335 YBKRTDZXZVVFJL-HXUWFJFHSA-N 433.509 1.920 30 10 IDEE CC(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741117964 ORADNHMBJIQXQT-IBGZPJMESA-N 425.512 1.711 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(O)CCCCC1 1747187309 HMWBJCHWYZHNLA-UHFFFAOYSA-N 442.568 1.750 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1748751761 LLXCMVVBLWINPF-SJORKVTESA-N 448.568 1.818 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748811180 CWHHBEZXGHBEFX-ZWKOTPCHSA-N 430.578 1.697 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(-n2cccn2)c1 1748875520 RCTQPPBTNJXCAQ-UHFFFAOYSA-N 428.500 1.606 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nncn2CC)CC1 1748992858 INELGQRCYLWQMM-UHFFFAOYSA-N 426.475 1.562 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)NCC2CC2)CC1 1748999061 GZCLGAXBEJEDDK-UHFFFAOYSA-N 436.560 1.701 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCN(C)C2)CC1 1749010213 ILEIHEPUUFMIDF-DEOSSOPVSA-N 436.560 1.286 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CCC)CC1 1749343121 XLVAQKRSGQJENL-XLIONFOSSA-N 441.598 1.565 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1749659043 SHXQAWSBELXUFB-UHFFFAOYSA-N 435.532 1.420 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749659716 IIRNNWZUNNXQIP-MRXNPFEDSA-N 442.520 1.227 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749729685 OFTMATIWQAATGQ-IRXDYDNUSA-N 430.534 1.188 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749734707 LBHDXUDMDDGAPU-IRXDYDNUSA-N 439.582 1.124 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1749756183 UKRUICOYPLRRED-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1760282102 WBRLCZHGSZZCOQ-MRXNPFEDSA-N 442.607 1.382 30 10 IDEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760285581 KPXZJRPEBAHKHA-IBGZPJMESA-N 443.573 1.792 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1760357272 HLRXRGGQWVWEQJ-QGZVFWFLSA-N 425.555 1.360 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCOC)CC1 1760389070 BBZAJLQFBQQPRL-KRWDZBQOSA-N 427.571 1.584 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760448975 WNBHBFNVGXNPJY-UHFFFAOYSA-N 441.536 1.507 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760559770 SVSRWKADJJIIHZ-AWEZNQCLSA-N 436.563 1.468 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760560133 YSTLXETVWUJKLI-OWSLCNJRSA-N 442.582 1.464 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1760841017 GJWFFXLUCDUJHP-UHFFFAOYSA-N 439.520 1.654 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1762385225 XDQABRVYQSHCKO-HNNXBMFYSA-N 443.533 1.680 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1765033635 FUJPMQAIFXAMHA-ZTFGCOKTSA-N 448.549 1.749 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CCN2C1=O 1766927672 NKYOVDBYKBOGFD-KRWDZBQOSA-N 437.504 1.450 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1768809388 NKJPELIMIOLAOM-DSGGYQJVSA-N 438.488 1.705 30 10 IDEE COCc1nocc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769394406 WCDMWCWNFLPWQI-VQTJNVASSA-N 434.472 1.943 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1770339068 FYHDIRXHKGEINR-MJGOQNOKSA-N 445.545 1.779 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC[C@@H]1C 1770634650 VIQYXPIYHJRLGZ-LPHOPBHVSA-N 438.532 1.960 30 10 IDEE Cn1ccnc(N2CCC[C@H](N(Cc3ccc(-n4ccnc4)cc3)C(=O)CC#N)C2)c1=O 1853467937 AAWPMCDXEUDDBP-FQEVSTJZSA-N 431.500 1.877 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2=O)cc1 1853744515 FPEOQCSAHUQFFZ-UHFFFAOYSA-N 435.864 1.953 30 10 IDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1857217945 SUYUURAMGMKIEN-QGZVFWFLSA-N 436.578 1.191 30 10 IDEE CC(=O)N1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868783297 QIXSCOAJKZQFQE-YJBOKZPZSA-N 431.562 1.220 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccccn4)nn3C)CC2)CC1 1889437286 NVKDOYFUPPASJY-UHFFFAOYSA-N 436.560 1.354 30 10 IDEE COc1ccccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889675072 OLKLLKLEPLLENB-UHFFFAOYSA-N 449.617 1.894 30 10 IDEE CC#CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C(=O)OC(C)(C)C 1900622562 UCBHRTOEWNCNDA-HOTGVXAUSA-N 425.526 1.733 30 10 IDEE CC[C@H](C#N)S(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1962358722 PZBPTAHYEQJJKC-CQSZACIVSA-N 434.559 1.970 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634118 VQGXZZMSQDFISG-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Oc1cc(Br)cnc1C#N 2078082150 HPMUUUCWGLQOOP-AAEUAGOBSA-N 432.296 1.785 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247921964 YPSONZYDOSRQKN-OLZOCXBDSA-N 439.343 1.152 30 10 IDEE CC[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248478966 AJLVCJWGPZSXGL-WLRWDXFRSA-N 438.359 1.891 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255654800 DDWSOBZLYJGXDS-CQSZACIVSA-N 434.346 1.801 30 10 IDEE Cc1nn(C)c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255828627 VNNANPOPNHVOCI-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE CON(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255830281 CTPCADNAFKSRID-UHFFFAOYSA-N 436.318 1.342 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267005230 LMKOIRJVHGZOKU-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2267013745 OPGCBCMAMQNMMU-UHFFFAOYSA-N 449.313 1.031 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267137532 RFUJCEFKTVTYCF-LZWOXQAQSA-N 446.357 1.765 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267596060 YSKDVVKCKIWFKE-INIZCTEOSA-N 447.341 1.747 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267597169 ORZKVEGBJBXDGP-KBPBESRZSA-N 449.361 1.490 30 10 IDEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267879682 KBHAESWHEUKAGS-VXGBXAGGSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268637608 NLTWHVIHIZOXKO-INIZCTEOSA-N 446.357 1.918 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268640078 UCWXHKQQKYJPAX-OAHLLOKOSA-N 449.313 1.776 30 10 IDEE Cc1nc(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268714556 KYAPKPNHFHOYMX-NRFANRHFSA-N 448.329 1.395 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)=C[C@H]1O 2268718939 WKPHGZACOYUDID-HUUCEWRRSA-N 445.325 1.904 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCN(CC(=O)O)Cc1ccccc1 2268976044 UATMTRCRXOFZPY-UHFFFAOYSA-N 441.337 1.641 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)O 2269085756 VANSBBRYUAOYSZ-KBXCAEBGSA-N 443.309 1.508 30 10 IDEE C=CCO[C@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270525174 ABRFRNRRXIXKAT-IRXDYDNUSA-N 426.491 1.061 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2290350922 GWFQSLAAWWHVKP-HNNXBMFYSA-N 441.322 1.358 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cc(F)c(C#CCCO)c(F)c1 2366923795 WJPKLQQPUMGWQM-UHFFFAOYSA-N 434.420 1.737 30 10 IDEE C#CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 13794907 ZOZMMVUGYIKWRJ-MODMUFLJSA-N 449.554 1.754 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)c1 21315763 RSVWIOQUKHRAPY-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COc2c(Cl)cccc2Cl)c1=O 30531676 MUQPBRUWVZESFB-GFCCVEGCSA-N 428.272 1.290 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 32831401 HRALBFGCOHSAJY-HNAYVOBHSA-N 437.522 1.344 30 10 IDEE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 33386000 YIYXXCKANTYZRF-WJDWOHSUSA-N 431.587 1.928 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 250053792 KQLHPYODPCKRFM-KURKYZTESA-N 440.525 1.964 30 10 IDEE COCCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 303431967 CJBYUMKYPCVTGT-GOSISDBHSA-N 446.491 1.699 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCCc2ccccc21 429887679 IWRJACHSFPIRMO-QGZVFWFLSA-N 438.513 1.889 30 10 IDEE C[S@](=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 435388353 FLDWCDDQXOJFQK-NDEPHWFRSA-N 431.539 1.371 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)n[nH]1 440763763 SEACJLHKVCUHIT-AWEZNQCLSA-N 427.534 1.648 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)n(C)n1 444524038 MTZYVVWUWHHZRS-KRWDZBQOSA-N 430.534 1.238 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 446528805 XQNBLVQNSVSQFE-UHFFFAOYSA-N 428.411 1.641 30 10 IDEE COCc1nc([C@@H]2COCCN2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)no1 446631571 NMKWYVZVQJLTSF-JCYILVPMSA-N 442.476 1.956 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccn(Cc3ccccc3)n2)CC1 475276165 ABQGHJFCSFYCHS-UHFFFAOYSA-N 435.509 1.950 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 483127741 XPJKSZASDAMOHF-XLIONFOSSA-N 426.542 1.958 30 10 IDEE COC(=O)c1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc1C1CC1 503515026 FIJAFYZWRQDBID-UHFFFAOYSA-N 427.482 1.848 30 10 IDEE N#CCC(=O)N1CCN(C(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 503617430 XFZVTAGUCYGCFO-UHFFFAOYSA-N 439.541 1.774 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)N[C@H](C)C(C)C)CC3)CC2)o1 507363508 SQLBMVZLFMDLIG-MRXNPFEDSA-N 430.553 1.376 30 10 IDEE Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508439945 DVBCRXYYGFCZJY-UHFFFAOYSA-N 436.907 1.992 30 10 IDEE CCc1c(C(=O)N(CCOC)Cc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 513677465 XGHOTPOKICRCQR-UHFFFAOYSA-N 435.484 1.355 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc1 544140205 PCYSLZKGFMNJFE-GOSISDBHSA-N 427.486 1.199 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 553781780 PKDZLNUYRRHPDK-KLSXAPCHSA-N 427.486 1.167 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)c1 589513695 TWRNALQXMULIFB-SFHVURJKSA-N 438.509 1.788 30 10 IDEE Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 609314634 SXXMRDOYKNACBJ-UHFFFAOYSA-N 434.543 1.485 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730142380 RCWDPJWGEHOQON-IBGZPJMESA-N 447.605 1.829 30 10 IDEE COc1ccc(N2CCN(CCCNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732700749 MKHDSFPRXHIBHC-NRFANRHFSA-N 426.565 1.589 30 10 IDEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1C#N 747023774 WAZDGSWYGREBAU-UHFFFAOYSA-N 429.454 1.044 30 10 IDEE COc1ccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cc1C#N 747446789 HGBPSGLEAOSLPB-UHFFFAOYSA-N 435.527 1.643 30 10 IDEE C#CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 751274246 QXYZFJSRZXBUKO-NSHDSACASA-N 448.238 1.462 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1 753800036 LOIXQGBHXRLSAL-JZRFMTABSA-N 440.522 1.324 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(C(C)(C)C)c2C)c1=O 755626627 AQOBBSXCCPQNHU-UHFFFAOYSA-N 442.585 1.997 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)CCN1C1CC1 756779301 HTKVJSAINDSDFH-OAHLLOKOSA-N 443.305 1.772 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@H]1CCCO1 771913711 MNEPNDNHNHRZMR-CYBMUJFWSA-N 435.958 1.609 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c(C)n1 781649025 MMMMYMTUZLZDTI-INIZCTEOSA-N 441.553 1.837 30 10 IDEE C[C@@H](CONC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 783659772 AYXCUTAPQOMNNR-OLZOCXBDSA-N 440.522 1.465 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 796178965 DXNOMAKWLXTDLA-UHFFFAOYSA-N 434.923 1.343 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)CC1 796617217 ZZXKFUQUBPKNSE-IBGZPJMESA-N 448.589 1.959 30 10 IDEE C=CCN(C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 798182700 COIOTFWXNYCBLX-DLBZAZTESA-N 429.583 1.425 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)C1 806782349 XWOHBFQZOYMNDM-ZJIOXEHGSA-N 447.536 1.945 30 10 IDEE C#C[C@@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccc(F)cc1 813061996 ZLKWCLAXKOFFTM-CYBMUJFWSA-N 446.284 1.724 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CCN1CCOCC1 916201717 XITONIBYKRXGQJ-UHFFFAOYSA-N 445.342 1.031 30 10 IDEE CC(C)CN(CC(F)(F)F)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 918818134 YTMLZBBHVUBNHL-UHFFFAOYSA-N 435.424 1.427 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)NCc2ccccc2)n[nH]1 1084021451 YCUQPLALFNCTKU-UHFFFAOYSA-N 442.549 1.855 30 10 IDEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)n1 1116149938 BIWKOYXVVNNGQK-LBPRGKRZSA-N 432.506 1.819 30 10 IDEE C#CCN(C(=O)c1ccc(NS(C)(=O)=O)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1155366869 IFNAHBSYLWOQEW-UHFFFAOYSA-N 436.534 1.928 30 10 IDEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156669802 IWSBBBNMHFAWCY-MNUAXYBXSA-N 427.523 1.144 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2sc3ccccc3c2Cl)CC1 1194097251 POFOPKVBCYGWDO-UHFFFAOYSA-N 433.964 1.329 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1286278072 LAGDQVQPHMRHLN-ZWKOTPCHSA-N 444.605 1.795 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1286294923 GUNFYYGTLGQDGI-CABCVRRESA-N 441.554 1.089 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286338027 CJOGVLLJEMZNJS-UHFFFAOYSA-N 434.504 1.957 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286339162 JJEWUMKACYIVCJ-LJQANCHMSA-N 438.557 1.939 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1286446105 DNEJOVXQBWZZOH-SFHVURJKSA-N 439.582 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC1 1286490874 VSJYMUJNNYAJRF-AWEZNQCLSA-N 440.470 1.784 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1286778926 MCUHDAWRHSTLIH-UHFFFAOYSA-N 426.477 1.181 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)NC)CC1 1286816358 JWXLUTKDOGMQTI-UHFFFAOYSA-N 446.577 1.570 30 10 IDEE CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1286855091 CSVKQMVEQBCHSM-SFHVURJKSA-N 434.566 1.179 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NC(C)C)cs1 1290432775 OUWUZYKIAVNKGB-QGZVFWFLSA-N 428.566 1.335 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)n1 1290646485 HYNFAHDASMJTEM-LJQANCHMSA-N 429.525 1.454 30 10 IDEE COc1cc(N)c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1S(C)(=O)=O 1292725392 WPZNHKBOSLBCOS-UHFFFAOYSA-N 429.502 1.346 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)C1 1296329534 KGQKXUZHSRBXTC-INIZCTEOSA-N 430.490 1.878 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C1 1296329947 OHEUZPDHBJTZQM-IAGOWNOFSA-N 436.513 1.319 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1300487157 HAJRHKPNRLARIV-INIZCTEOSA-N 443.508 1.393 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1300671333 HVCSUPWDURVNBZ-SFHVURJKSA-N 443.523 1.892 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nncn1-c1ccccc1 1300675154 MONBWOQROKIQMZ-UHFFFAOYSA-N 445.531 1.855 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCOCCS(C)(=O)=O)CC1 1300692455 FWDZISJQQUFDFG-UHFFFAOYSA-N 431.562 1.070 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(CC)(CC)OC)CC1 1300719514 DSJBESVABCYFFV-UHFFFAOYSA-N 427.553 1.850 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1300756174 HNDQGFMDGWNUFN-KRWDZBQOSA-N 430.578 1.577 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300843968 LVUVURFDEBYKIE-GJZGRUSLSA-N 428.331 1.422 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1300885962 ULOVKRMGTMJPIH-ZACQAIPSSA-N 427.571 1.438 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1301312838 NYBTUFVOPPAVLG-GASCZTMLSA-N 442.586 1.562 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1301406500 YJLBOUVFQQJSMO-INIZCTEOSA-N 444.540 1.942 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301503161 UWMAOOOBWUGZFE-AZUAARDMSA-N 445.612 1.158 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@]3(CCC(=O)N3)C2)cc1 1301520609 JOUJVHHPBWEDHA-HSZRJFAPSA-N 438.532 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2F)CC1 1301578505 CKRVNYJAJCDMRG-UHFFFAOYSA-N 445.524 1.735 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1302106714 YGZXGNRYZGRSBF-MNEFBYGVSA-N 431.493 1.899 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1302585002 ATDDWCBFONNAPX-OAHLLOKOSA-N 441.488 1.585 30 10 IDEE NC(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1303024667 LLFJREJWRONWLS-JXLCAQNNSA-N 427.509 1.164 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1303638925 CMWXOXWUUPEXPV-HOTGVXAUSA-N 449.556 1.803 30 10 IDEE CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1304175360 GANCGPSWGAJPJQ-IBGZPJMESA-N 443.525 1.906 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)C[C@@H](C)O1 1306929857 POQROAPMKNZOBZ-CHWSQXEVSA-N 433.456 1.448 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1314019439 GPPRAEXOTBDZLR-QFIPXVFZSA-N 439.520 1.162 30 10 IDEE COc1ccccc1CC(=O)N1CCC(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318500478 HTRHLPWKMPOQMU-GHVJWSGMSA-N 440.500 1.261 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)c1 1354749789 MOEYTCAFJURUGX-MXAZQTAVSA-N 446.451 1.753 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cnn1CCC#N 1355142045 SNFBBVYJMYBNFN-UHFFFAOYSA-N 427.939 1.967 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358963303 GCEDTUPRZZHELD-QZTJIDSGSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358967032 BYRHUDCRXXVZEN-MOPGFXCFSA-N 437.610 1.562 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1359018750 ATGGDZLRWRRCSY-QGZVFWFLSA-N 445.495 1.502 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCN1CCN(C(C)=O)CC1 1359022290 VAOVCUCQRVLOSI-UHFFFAOYSA-N 444.967 1.849 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1359063415 RZSMNJCUTQPMKY-FOIQADDNSA-N 428.518 1.352 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359132794 FQRFILUGNDTNJH-WOJBJXKFSA-N 446.596 1.855 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(CC)CCS(C)(=O)=O 1359297468 RGECKDGVTUIIDK-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359315943 FJXMHQOABCBKCB-UGKGYDQZSA-N 446.573 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCOC2(CCOCC2)C1 1359329462 JLPDKFRUHVYRPI-UHFFFAOYSA-N 432.546 1.932 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCc2nccn2C1 1360672176 NDIYZLXCAOYERT-GOEBONIOSA-N 432.554 1.087 30 10 IDEE C=CCN(C(=O)CN1CCC[C@H](C(=O)OC)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1435899059 CGHBAOHBSNOCTR-RBUKOAKNSA-N 430.501 1.587 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)C1=O 1439044582 LKULVLSRTCOWHI-CYBMUJFWSA-N 427.335 1.013 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)s1 1441926812 HUEYYKRWFXZMDZ-UHFFFAOYSA-N 425.488 1.988 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 1443536931 NGJUGLIUDCGCPJ-ZGKFLROHSA-N 444.491 1.896 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1447348696 QWRYEUDIUJUIRP-CVEARBPZSA-N 434.489 1.995 30 10 IDEE C#C[C@H](CO)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 1468483908 TXXCXXMQARAVIZ-MRXNPFEDSA-N 432.498 1.400 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)s1 1469484369 MCJSXQLKZGGNFT-QAPCUYQASA-N 428.576 1.581 30 10 IDEE CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n[nH]1 1472386218 YODDZVMTWODUIO-XPKDYRNWSA-N 428.880 1.580 30 10 IDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1473479145 CEVURUJZVHEFIU-RTWAWAEBSA-N 429.542 1.606 30 10 IDEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1496187630 HFMOKYIDDBROAN-KRWDZBQOSA-N 425.537 1.737 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1502372245 GPHAOKBHHUERRO-KRWDZBQOSA-N 436.520 1.193 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)CC1 1504935642 HVEOXBBDGIKWBZ-MRXNPFEDSA-N 426.521 1.831 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507633269 FIYGTMPCIUKXDD-MRXNPFEDSA-N 444.623 1.317 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507636105 YWGJYCXLGYUQEV-PXNSSMCTSA-N 434.587 1.718 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1507641794 DCUHXORTNQJMFA-QGZVFWFLSA-N 441.557 1.702 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1507979919 CYCUTJQBKCBQAF-KRWDZBQOSA-N 437.570 1.219 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](COC)C1 1508070941 GSGRJEQMWOKMBS-GOSISDBHSA-N 442.520 1.301 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1508080012 HGPWZECXXKCGIS-UHFFFAOYSA-N 434.479 1.913 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)C1 1508122230 CVUIXACYCOUCMU-KGLIPLIRSA-N 438.579 1.424 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1508137610 OGAONCFSQOUUFT-LSDHHAIUSA-N 441.579 1.199 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1508409017 AHAWSORYTKBWCV-YCPHGPKFSA-N 439.611 1.849 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508664585 OQBJMQKQXZYTRJ-SJLPKXTDSA-N 445.568 1.873 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cn2ccccc2n1 1519327590 PYIMTLOZDBXUHT-FUHWJXTLSA-N 425.493 1.621 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccnc(N3CCOCC3)n2)c1 1534105876 HQGRWSWOICQFAS-HKOYGPOVSA-N 444.517 1.378 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1539013154 IAAWAKRTUOQZKE-HUUCEWRRSA-N 432.502 1.446 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1539013191 IDLOSOINLBPRNI-LNLFQRSKSA-N 447.561 1.536 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539215956 LXXYCBPXVHARKF-LJQANCHMSA-N 436.541 1.995 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H](C)C1 1539250782 SYGMHZCEZOGKBJ-LJQANCHMSA-N 429.532 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(C)=O 1539257881 OSGZWGNROFWPAC-UHFFFAOYSA-N 445.527 1.835 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCC(=O)N1CCOCC1 1539405732 KAEJCKAQUCFZSL-UHFFFAOYSA-N 448.527 1.828 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1539415285 CBRCUOXPQPMPRE-KRWDZBQOSA-N 449.552 1.520 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(N3CCOCC3)CCCCC2)CC1 1539482521 MLEZQEFHMHALOG-UHFFFAOYSA-N 442.608 1.841 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539527258 ZCXVOLCGLGSGLL-OAQYLSRUSA-N 429.546 1.934 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539752642 VCXPMQRUGMUSFC-FQEVSTJZSA-N 440.548 1.684 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccco2)CC1 1539874891 QZCNPFNSIQRISJ-CQSZACIVSA-N 436.538 1.314 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540004759 FYBDYLLAFVBZKD-MOPGFXCFSA-N 436.626 1.363 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(COC)CC1 1540865052 UCSQYHXPTOWHMW-UHFFFAOYSA-N 447.561 1.514 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1540872525 RRDRSQRNSLYBPU-NRFANRHFSA-N 432.475 1.412 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)C1 1540892237 IBXIBWNHGVSELB-LSDHHAIUSA-N 438.579 1.364 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540904289 LJDQRBCWWIPJCN-OALUTQOASA-N 447.561 1.249 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1540908628 ZXTZZCAENVZWOV-MRXNPFEDSA-N 433.582 1.474 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCS(=O)(=O)C1 1541455484 YVKPQWKBSPNUPX-AWEZNQCLSA-N 430.534 1.446 30 10 IDEE N#Cc1cccnc1NCCNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1542362097 KHQBPOAZNFSMSX-UHFFFAOYSA-N 435.531 1.002 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(CS(C)(=O)=O)CC3)C2)C1 1545289577 BJMRVDITQWDLMF-CHWWFWEZSA-N 425.551 1.714 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)c(F)c1 1546180504 VBSYGTVRZUWDDG-UHFFFAOYSA-N 438.459 1.729 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1546856351 BSLZSRRYNFMCCW-INIZCTEOSA-N 428.562 1.938 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547242298 AQASKTBGNLSVHC-GOSISDBHSA-N 438.536 1.292 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC2)c1 1555794000 FKSQMDRVILXALY-GOSISDBHSA-N 444.561 1.563 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1558111028 XUCXQLZWFBYUGM-CYBMUJFWSA-N 438.440 1.487 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)CC1 1565313601 OQOHXWROSYWISY-FRIYVGAWSA-N 433.549 1.827 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H](C)C(=O)N4CCCC4)CC3)n[nH]2)c1C 1566299396 JXWKMHXYWGYFNP-GOSISDBHSA-N 439.564 1.845 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)NC(C)(C)Cc3ccc(C#N)cc3)cnc21 1584902423 YSNRXHMJJNXAGT-UHFFFAOYSA-N 443.305 1.902 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1587878560 AKTXJKWUGCOMQJ-HXUWFJFHSA-N 435.576 1.368 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(C)S(=O)(=O)CC 1588024913 QADUHCUFQWIOGH-IAGOWNOFSA-N 425.599 1.938 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588049563 IICZJJUPEOKAKU-QGZVFWFLSA-N 427.534 1.266 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1588265613 FJADOZSGYZOIOQ-KRWDZBQOSA-N 441.561 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NC(C)C)CC1 1588899500 QFYWVRBJGIDBDQ-UHFFFAOYSA-N 436.560 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1588947386 QCTOARITDKBHCU-UHFFFAOYSA-N 443.573 1.399 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1589662827 CACOJUQDDRLLPD-KRWDZBQOSA-N 438.529 1.596 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1610403795 UIDIHYLLWIPBGF-FGZHOGPDSA-N 430.553 1.927 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C1 1622345062 GNHGUYWUNUQTRQ-QZTJIDSGSA-N 442.582 1.815 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnc(Sc3ccccn3)c2)CC1 1623036945 CXFWLUMAVHPLGC-UHFFFAOYSA-N 432.531 1.245 30 10 IDEE CC(=O)N/C(=C\c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624062030 IMOGJBICKZBSEJ-UYRXBGFRSA-N 444.538 1.630 30 10 IDEE CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1624755840 HOYDNTGUEKWZCN-UHFFFAOYSA-N 429.370 1.578 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)CCN2CCN(C)CC2)s1 1625436340 IJYDZPZBHUYYFE-UHFFFAOYSA-N 428.624 1.287 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC(S(N)(=O)=O)CC1 1626942252 RPGWWMUIWMTVFM-GOSISDBHSA-N 448.545 1.672 30 10 IDEE O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1630551102 QUEBFRBFHHZIEY-UHFFFAOYSA-N 426.494 1.314 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 1632710916 GYKCBJWXWPRWRS-IBGZPJMESA-N 428.533 1.736 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CN3CC[C@@H](c4ccccc4)NC3=O)C2=O)cc1 1634584330 LEXXIKDIQHHQRZ-SFTDATJTSA-N 431.496 1.932 30 10 IDEE CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463180 CGBYGAFFTHQXMT-YUMQZZPRSA-N 447.348 1.354 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1638075580 SCMJQXFRICHDHX-GOSISDBHSA-N 447.557 1.072 30 10 IDEE C[C@@]1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CCO1 1654932785 PKESIZSXXWXDNA-NXZBIGBUSA-N 432.477 1.593 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)c1 1665684072 MNVZCFOYWSEGTI-UHFFFAOYSA-N 441.513 1.695 30 10 IDEE C#C[C@H](NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1669427543 PHZVBRLBJVFBJJ-WFASDCNBSA-N 435.365 1.324 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccc(C)cc3)c2CCC)CC1 1676350028 AGWCNHBERZQINL-UHFFFAOYSA-N 444.561 1.750 30 10 IDEE CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1677622419 FZHVGYQHZULAMO-UHFFFAOYSA-N 446.895 1.769 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCc4ncc(Br)n4C3)CC2)c1 1687854646 IFRUATSAIOIRAQ-AWEZNQCLSA-N 430.310 1.759 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1689930616 VVCCIPIOLIJUJK-GJZGRUSLSA-N 431.509 1.506 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1689989049 AQCDVEXCIRZJIG-IRXDYDNUSA-N 426.608 1.942 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1689991345 ZWJDEPGGUBLZFS-IAGOWNOFSA-N 448.520 1.605 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCNS(=O)(=O)CC)CC1 1690128541 FNGWDRIHDFDYBN-UHFFFAOYSA-N 448.568 1.093 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)C2CC2)CC1 1690134897 JQGMXDUNTKOYED-RTBURBONSA-N 428.581 1.478 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCCC2)CC1 1690146308 KTZDRLRXTFSTKV-SFHVURJKSA-N 433.578 1.336 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1690167919 QBTYIVLITCRTKE-QGZVFWFLSA-N 444.582 1.947 30 10 IDEE C=CCCOCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690512194 PJYRGYWVXKHWMY-FGZHOGPDSA-N 436.553 1.907 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1690526992 HUAFAEDKJPACGS-QGZVFWFLSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1690673114 OQGSDTATOGICMR-UHFFFAOYSA-N 430.940 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690727242 XXRUEHSYCVVQOF-SFHVURJKSA-N 445.589 1.721 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1690784655 WJBYEWRLFNWSFH-SESVDKBCSA-N 438.532 1.661 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1691325042 AAIGKEGPFRQFJI-MYGHRHJXSA-N 441.561 1.793 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695433459 TUVBIDLXEMLPBE-GOSISDBHSA-N 438.536 1.639 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c(OC)c1 1697381279 KHOHEOBVXPZUCM-QZTJIDSGSA-N 443.504 1.887 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1698308968 HGYHOIKBHVPPSM-LJQANCHMSA-N 439.488 1.511 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1698319439 GANADKOTFLMZSD-WJOKGBTCSA-N 442.545 1.199 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)C2CC2)c1 1705505976 XAHZPSKKAZZWEM-FQEVSTJZSA-N 449.559 1.770 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1705559507 BPLIXDYMAGINCX-IRXDYDNUSA-N 445.593 1.785 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705567508 YETIWTFUXXZDHZ-QGZVFWFLSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705569070 CSCVPYBANPRQMD-JYRCXFKTSA-N 438.619 1.549 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1705628444 GWBYPJGKDLYANL-ZDUSSCGKSA-N 440.476 1.042 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C(=O)NC)c1 1705628534 KAGRLAOQNJVVMO-HXUWFJFHSA-N 425.533 1.860 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(C1)OCc1ccccc12 1705898027 ZAMGGTGXRDHUOO-GAJHUEQPSA-N 441.532 1.940 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCCO2)CCOC1 1706678346 DRPIYUMYOHOKJV-WOIUINJBSA-N 449.552 1.633 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C2CC2)c1 1706890183 MIEWIZYZAGMQKM-RDTXWAMCSA-N 430.534 1.543 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1706935255 OFZNLUMIFUSNHW-QRWLVFNGSA-N 446.533 1.220 30 10 IDEE COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712388225 PMRSWQJUEBDEHG-UHFFFAOYSA-N 447.503 1.555 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1712853437 CIIOOSBQWZNGGX-GAJHUEQPSA-N 440.548 1.799 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364952 BBTURCARXVSIIK-UXHICEINSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1N1CCOCC1 1722387145 SPYNPRXKLRILBX-UHFFFAOYSA-N 444.543 1.492 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3ccccc32)CC1 1722431541 MMPVLNZHRQETRU-HKUYNNGSSA-N 442.589 1.374 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCn2cnnn2)CC1 1722442635 XAYRLWQSHGFWAN-UHFFFAOYSA-N 435.536 1.306 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722464869 USOVPKMXJXXPLR-UZLBHIALSA-N 435.550 1.326 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722500024 OWHDSTSNVCEWFL-SFHLNBCPSA-N 446.596 1.757 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1722508995 LINIWZMHEGVRQN-PXNSSMCTSA-N 446.577 1.327 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)[C@H](C)CC)C1 1722719451 UMGOCKNCERXTKO-FGTMMUONSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(Cc1ccnn1C)C1CC1 1722726554 GKFQTEQDSHNJAR-INIZCTEOSA-N 434.566 1.675 30 10 IDEE Cc1csc(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)n1 1725053004 RZMOKQHVIMWHCV-INIZCTEOSA-N 429.550 1.917 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)C#N)CC1 1728604395 AMABEQPIFJWFJF-YLJYHZDGSA-N 427.601 1.762 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1730635455 UOZVJZKQRPTLEK-KCESLBEFSA-N 438.532 1.760 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 1730707677 GCZMRWUUWBLZIO-QGZVFWFLSA-N 437.548 1.815 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccccc1F 1740684937 GHUMROROMDAIEF-KRWDZBQOSA-N 429.496 1.827 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ncn(C)n2)CC1 1740690718 LXPRPZZTEHMROE-IBGZPJMESA-N 434.548 1.967 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)nc2)CC1 1740708625 WRYMNBYRQNUQEL-UHFFFAOYSA-N 446.559 1.857 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1740759033 FARYRFFPHAYSIX-PKOBYXMFSA-N 425.599 1.930 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740760931 STXAWOCHWOBJQZ-HBFSDRIKSA-N 431.562 1.868 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740961232 PSVOZQFWSOSYEA-FQEVSTJZSA-N 438.576 1.638 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740963449 LGEZMIGSWYXDSU-RBUKOAKNSA-N 438.532 1.715 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCS(=O)(=O)C2)CCOC1 1741123940 CFUWTANFNGSUQE-UWVAXJGDSA-N 439.582 1.739 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C#N)CC2)n1CC(=O)N(C)C 1742049058 IFIXGSJOAWGOOZ-UHFFFAOYSA-N 444.565 1.375 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H](C)O1 1743246096 VBPHWQZHAHRXOO-HZPDHXFCSA-N 433.534 1.492 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1748674056 OFFMPXIMGGIWPC-SJORKVTESA-N 444.540 1.726 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCNC(C)=O 1748680925 YWLMDUUSKFPDGJ-HXUWFJFHSA-N 437.592 1.627 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748686394 OHUWBBBEXSCASP-KUHUBIRLSA-N 438.937 1.518 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)n1 1748971167 FZSVJDRRGFNDKW-HSZRJFAPSA-N 441.580 1.828 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ncn(C)n2)CC1 1748983612 VHTYEYHDVPXMGN-UHFFFAOYSA-N 426.912 1.539 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CSCCS2)CC1 1749009423 IOVCQOXXGFYXMG-QZTJIDSGSA-N 449.646 1.987 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749660948 WUPMQYIBNWDHSW-UHFFFAOYSA-N 447.478 1.375 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccccc2C)CC1 1749663470 GJKSFLZWYIBKNM-UHFFFAOYSA-N 432.532 1.668 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(N)=O)CCCC2)C1 1749692922 DBBAUHAZDXGFDC-INIZCTEOSA-N 439.520 1.752 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749702555 ODQVHHDTXGKIGP-VQTJNVASSA-N 431.585 1.665 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CC2)CC1 1749730807 RFGBWIVXDPEEEK-UHFFFAOYSA-N 430.578 1.781 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1C(C)(C)C 1749739648 IQHWWDWLPOTYEZ-GOSISDBHSA-N 438.642 1.393 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1750473480 HUUDUYSPLXONDG-RBUKOAKNSA-N 439.564 2.000 30 10 IDEE Cc1nnc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)s1 1751868605 BSHJYZOOGYIRGC-MLGOLLRUSA-N 425.515 1.025 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760187963 MINMIDWUQPEFCU-VAMGGRTRSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1760202618 IUOUDJWGFAWGBF-CQSZACIVSA-N 432.406 1.795 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)C1 1760593416 VDJNYYAPIPRVGA-ZBFHGGJFSA-N 427.509 1.860 30 10 IDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)COCCO1 1761577190 MFIAUUJKUZSGEB-FGZHOGPDSA-N 440.504 1.236 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1765376052 BODMXESSGLYPCG-RBUKOAKNSA-N 435.532 1.980 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1767149729 GPOKUKZSHMEINX-PGRDOPGGSA-N 446.575 1.116 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)C(C)(C)C 1767422822 CWQXWMKUQFLSDP-MUUNZHRXSA-N 437.591 1.845 30 10 IDEE COCc1nocc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1769390502 RKIXGPMJJBSYHY-KUHUBIRLSA-N 434.522 1.493 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC=C(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1769979332 VCILVMPBBLBTPL-MXLIYFDZSA-N 430.509 1.685 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770730663 BZANLXAEXILZPX-ZGAGMJPPSA-N 441.492 1.899 30 10 IDEE N#CC1CCN(CCNC(=O)C2CCN(Cc3cnnn3-c3ccccc3F)CC2)CC1 1850671515 WBEZCSQJLFNNDZ-UHFFFAOYSA-N 439.539 1.970 30 10 IDEE CN(C)S(=O)(=O)CCNC(=O)C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O 1851813262 HCHNMBSIENJVNY-HXUWFJFHSA-N 440.525 1.653 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2CC(F)(F)C2)cc1 1851986110 TWLBCCHSHREOJU-SFHVURJKSA-N 435.452 1.934 30 10 IDEE Cn1[nH]c(=NC(=O)c2ccccc2OCC#N)nc1N1CCN(c2ccc(F)cc2)CC1 1852723658 JGSFHBOIKJKFSX-UHFFFAOYSA-N 435.463 1.857 30 10 IDEE COc1cccc(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 1852746096 NYDTYIQNMOXJRQ-LJQANCHMSA-N 449.511 1.680 30 10 IDEE O=C([C@@H]1CC=CC[C@@H]1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1CCOCC1 1853026706 DLGSWGIAPSGKON-OLZOCXBDSA-N 437.440 1.298 30 10 IDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)c1 1854642833 YSOYCCMQYDVYRM-OAHLLOKOSA-N 427.482 1.558 30 10 IDEE CC1(C)C(=O)N(C(=O)c2ccc(Br)cc2F)CCN1S(=O)(=O)CC#N 1856152278 BQTXBQSUQROWTM-UHFFFAOYSA-N 432.271 1.505 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CCN(C(=O)c4cccc(C#N)c4)C3)ccc21 1858298231 IQBVXMMPFWIZEO-OAHLLOKOSA-N 426.454 1.196 30 10 IDEE CN(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870350054 OBABSONGAUSYOL-UHFFFAOYSA-N 437.544 1.558 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(C(C)=O)CC1)n2CCOC 1873558444 QZLRMFMACODGJJ-UHFFFAOYSA-N 426.521 1.560 30 10 IDEE COc1ccc(OC)c(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874338279 OORIIDGMPUXCFA-BMZJSHLCSA-N 446.533 1.479 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccc1O 1874433126 FMFFYCOYPCEBHH-DNTJNYDQSA-N 431.503 1.689 30 10 IDEE C=CC1(NC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)CN(C(=O)OC(C)(C)C)C1 1993334649 LBRIBUJNPHSXFD-UHFFFAOYSA-N 425.526 1.944 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010512648 CPJZQJOYUSZACZ-QZTJIDSGSA-N 432.496 1.543 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085655856 BORAFRFMOHQWTH-GJZGRUSLSA-N 433.314 1.859 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141666720 ANGKFIJYVDDDNZ-UHFFFAOYSA-N 446.357 1.776 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247863522 SEYDWOUWSQMJOV-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](O)C1 2248433386 JYNHCNWIEUSXKI-BXHXUVEDSA-N 439.343 1.799 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248445060 HMKYZXUAMLUTLA-SOUVJXGZSA-N 426.319 1.021 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255530547 UHVIFGMTPGKJMR-SOUVJXGZSA-N 440.346 1.460 30 10 IDEE Cc1cc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2255622755 DXSUDMFVNYEDLJ-UHFFFAOYSA-N 436.314 1.599 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2255648226 KMSZNLXROFVXCW-CABCVRRESA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2255702908 MRNZTJXOTNPXET-HNNXBMFYSA-N 435.330 1.680 30 10 IDEE Cc1nc(S(=O)(=O)N[C@H](C)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255804181 ZYQHBPAAXAFRLA-OAHLLOKOSA-N 449.382 1.911 30 10 IDEE Cn1nc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843723 KWFBOXZMCAGCJA-KBPBESRZSA-N 434.346 1.895 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)n1 2256924351 UFNYQZJRDBDZKJ-INIZCTEOSA-N 429.282 1.119 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2257591016 UIHWLLRDGXPMRE-ZDUSSCGKSA-N 438.334 1.057 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267120594 MTGFCDIQIIIVHN-IIAWOOMASA-N 446.357 1.705 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(Cc2ccccc2)CC1 2267599978 YHVSZZAZVBDSPA-SFHVURJKSA-N 439.369 1.899 30 10 IDEE C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)c1ccc(C#N)cc1 2286021864 SPZWWFBBGAIGST-KSSFIOAISA-N 431.470 1.918 30 10 IDEE CN1C(=O)N(C)[C@]2(O)c3ccccc3C(=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@]12O 2297707621 FBLGRDBPYWFAER-ROUUACIJSA-N 428.361 1.164 30 10 IDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)NCCN2C(=O)CSC2=O)cc1 2325709551 BIGAIALVDOREJB-UHFFFAOYSA-N 447.513 1.328 30 10 IDEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1cc(OC)c(O)c(OC)c1 2331548611 ZVVUVTSBWZYDKG-UHFFFAOYSA-N 437.522 1.990 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2334270538 VDYBUNFTFYXEER-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2337192350 LBTPNEUDJWQERY-RBSFLKMASA-N 446.357 1.847 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2337203004 RKQCMESWOKUKLP-ZNMIVQPWSA-N 446.357 1.847 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N)c1ccccn1 21324979 LEDYIUONZATWHL-SRZZPIQSSA-N 427.450 1.862 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)c1=O 101351069 SONOEPPEWAXHTN-UHFFFAOYSA-N 438.469 1.534 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 409478248 LROAQVLOEITJAA-RDJZCZTQSA-N 432.905 1.447 30 10 IDEE CC(C)N1C(=O)C[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409515335 TTYVFFPWXIFDAO-SKDZVZGDSA-N 444.916 1.588 30 10 IDEE COCCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)S(=O)(=O)c1ccc(C#N)cc1 447698314 KLUBSTZLEZWVJU-OAHLLOKOSA-N 433.452 1.996 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)cc2OC)c1 474711952 MMWNMLVKJSABTD-IBGZPJMESA-N 448.497 1.812 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1S(=O)(=O)NCC#N 482591206 NELSNBNKTAONHZ-SFHVURJKSA-N 444.488 1.467 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489206088 UNXFJHXPZFAGMF-KBXCAEBGSA-N 444.488 1.281 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CSCN3C(=O)c3ccccc3)C2=O)cc1 489245958 CLZQBEGPEVPEHH-WOJBJXKFSA-N 434.521 1.991 30 10 IDEE C[C@H]1CC[C@](CO)(N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 495227921 CGBIQIBKXNZXOH-AOMKIAJQSA-N 427.505 1.938 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1-c1ccccc1C#N 517985472 FTLXIJPBDMBEBB-UHFFFAOYSA-N 449.561 1.819 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C 532221562 TUXKVNGOGUQKCX-HNAYVOBHSA-N 428.514 1.041 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 549658416 VLYJTIZMVFXPSX-IBGZPJMESA-N 441.488 1.633 30 10 IDEE N#Cc1c(CCCN=c2[nH]c(=NCCO)c3ccccc3[nH]2)nn(-c2ccccc2)c1N 555635648 JANWVGSQWWRALP-UHFFFAOYSA-N 428.500 1.562 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 558996415 DGNHLBKTIDJTPM-GOSISDBHSA-N 449.581 1.300 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cscc2C(F)(F)F)c(=O)n1C[C@@H]1CCCO1 564551682 DTZLIGIIPZDROW-NSHDSACASA-N 443.472 1.418 30 10 IDEE CONN(O)CC(=O)N=C1C=CC=C/C1=N/S(=O)(=O)c1cccc(C(F)(F)F)c1 575193140 URHQBCDCEANIRO-GYAYBZGZSA-N 432.380 1.686 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 604175932 KQDCPMDRKAKCEJ-MRXNPFEDSA-N 428.537 1.661 30 10 IDEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)c2)cc1 609944536 XVJSVVNEZFZDTC-UHFFFAOYSA-N 442.497 1.831 30 10 IDEE CCc1cc(C#CCN)ccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703980756 ZKQZUJMRROHGCI-UHFFFAOYSA-N 425.510 1.987 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ccccc2)C1=O 731652567 QUEIDSIPSJGMFN-KRWDZBQOSA-N 426.498 1.427 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 751554285 LIHLIPOKLBBJPP-UHFFFAOYSA-N 442.537 1.754 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766792483 GYFQGJXSRQXXOF-FJTVPBJSSA-N 435.843 1.410 30 10 IDEE CCc1c(C(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)cnc2c1c(=O)n(C)c(=O)n2C 774335149 POBSRZUITCQSAW-CYBMUJFWSA-N 428.395 1.764 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1F 780178058 XHJMMGCKPLVBFD-LJQANCHMSA-N 442.465 1.973 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)OCc3cc(O)n4ncc(C#N)c4n3)CC(=O)N2C(C)(C)C)cn1 796424350 LPBYAIBMSCRCBF-QAPCUYQASA-N 437.460 1.472 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 800781886 CXJWDDVXLBATKM-UHFFFAOYSA-N 441.536 1.101 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 803523668 JJBQKQIRTKXRQR-CQSZACIVSA-N 428.290 1.643 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809808916 AWVHJCKDEKEUGN-SECBINFHSA-N 427.287 1.713 30 10 IDEE CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 816750139 IOVBDRLZVUEHSK-MOPGFXCFSA-N 448.589 1.607 30 10 IDEE COc1ccccc1CNC(=O)CSc1nnc(NN=Cc2cccc(O)c2)n1N 1084539335 CCCUDBHEBCUJRH-UHFFFAOYSA-N 427.490 1.561 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4nc(CO)[nH]c34)CC2)cc1 1136149804 ZPDZTDQEETZANW-UHFFFAOYSA-N 425.470 1.074 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1136335214 RVHHNVVYOPPZQT-QUCCMNQESA-N 425.460 1.885 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(COC)CCN(C(=O)OC(C)(C)C)C2)n1 1139834172 YDQDUHODEDFNHO-JOCHJYFZSA-N 434.537 1.765 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 1152967373 GPACWEUGOFJHHB-UHFFFAOYSA-N 444.488 1.303 30 10 IDEE C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1161580015 BUGRVHRYFPWVHF-LJQANCHMSA-N 427.526 1.724 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1286291893 WOHCKYPPTGQONF-LBPRGKRZSA-N 426.340 1.715 30 10 IDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286396729 YPGMFBWJEYOHBA-KSZLIROESA-N 437.610 1.355 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2OC)C1 1286407786 RGVUCNLAVFYXBQ-RBUKOAKNSA-N 432.528 1.837 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1286479826 NXEDJGGPCRKBCD-WSTZPKSXSA-N 428.581 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2nnc3n2CCCCC3)CC1 1286491874 AWXLPCOUVPCSCM-UHFFFAOYSA-N 438.580 1.809 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286494618 VSUFEWYNTSRFOI-ROUUACIJSA-N 442.564 1.400 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286784067 VRZLWFHBQYPUOW-XLIONFOSSA-N 440.548 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OC)C1 1286820010 BPJUZWBTXIOIED-QAPCUYQASA-N 434.518 1.617 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1Cc1cn(C2COC2)nn1 1286971599 KERYBFOOKPNAKB-CQSZACIVSA-N 426.456 1.803 30 10 IDEE CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1292221386 AOAPWIMDDXULTB-BBRMVZONSA-N 446.533 1.140 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1296305994 CEIRSPVBRIPLCC-GOSISDBHSA-N 425.493 1.084 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1299909801 CPNDYJFJUPLTDM-WAWZGNHOSA-N 433.896 1.876 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1300430034 FXIHVGYBGGAXDG-ZDUSSCGKSA-N 440.367 1.963 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCO2)n1 1300681527 SQMRIWDWWFJHHM-AZUAARDMSA-N 428.537 1.834 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)CCCC)CC1 1300690421 ALDYAAVGXSXSQJ-UHFFFAOYSA-N 448.579 1.408 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1300700739 VIJTZPYBXSFWSP-FQEVSTJZSA-N 444.624 1.817 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC(O)CC2)CC1 1300727329 WUYPIPBZDTYLNW-UHFFFAOYSA-N 444.624 1.679 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1)C1CC1 1301326545 BZLIQRRXVBYCOJ-ZBFHGGJFSA-N 427.596 1.519 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCN(C)C(=O)C1 1301578254 UNPDYRHRUUERHB-UHFFFAOYSA-N 440.529 1.373 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)CC)CC1 1301578467 BKONOXDKPHUARE-UHFFFAOYSA-N 435.598 1.590 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)C2)nc1 1303899729 KWYQPGRPQBYQEZ-SJLPKXTDSA-N 435.488 1.547 30 10 IDEE CC1(C)CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1303962232 FAWQDJFHOIVUTD-UHFFFAOYSA-N 437.548 1.787 30 10 IDEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1309419680 BSEZWEPVPMIRNJ-OOHWJJMZSA-N 427.548 1.387 30 10 IDEE C[C@]1([C@H]2CCCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)COC(=O)N1 1312485335 JTEUKJNCVDLEEW-SGXKBVARSA-N 425.489 1.974 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1313547014 KOQUOVLNUOGOJV-KRWDZBQOSA-N 438.305 1.966 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CC1 1313989425 ABHAFDIASQNVFB-UHFFFAOYSA-N 437.548 1.380 30 10 IDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1315495921 BIYJJFFBZUDGGF-MAUKXSAKSA-N 448.549 1.406 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)nc2)C1 1316527696 ODPTXMQJXPVNLX-IBGZPJMESA-N 426.843 1.978 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCCOCC1 1316567459 MLRADSUBAQJOSJ-MRCUWXFGSA-N 440.479 1.761 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CC(=O)N(CCOC)C1 1358940650 GNUXCJKXOSLERA-AWEZNQCLSA-N 449.353 1.610 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358963928 QESUXQYYRVRSLU-AEFFLSMTSA-N 448.520 1.627 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1358968967 CYNQHJMTILWIMY-QGZVFWFLSA-N 438.557 1.994 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1359024883 XWTFQNPKWBSEPI-GOSISDBHSA-N 431.562 1.602 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359054529 YOLUTTYEYGVXEA-LJQANCHMSA-N 441.605 1.393 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCNS(C)(=O)=O 1359100660 DYTOEILTWLLBFT-PKOBYXMFSA-N 434.566 1.231 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1359202830 CNDLYCBGJYFZCG-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1359246699 IUJDSRFAZYMVGO-QHCPKHFHSA-N 446.596 1.638 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1359294359 RHBXHFIUDLTJSW-CYBMUJFWSA-N 449.284 1.878 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1359305228 WXIGLTLFDWZUTP-HNNXBMFYSA-N 431.468 1.688 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)CC1 1455115296 NOBNZPFVYNBBHM-ZWKOTPCHSA-N 446.573 1.165 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)c(=O)c1C#N 1457777124 AYALNWWMMPEWML-GFCCVEGCSA-N 447.293 1.346 30 10 IDEE C#Cc1ccc([C@H](OC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C(F)(F)F)cc1 1460038821 DLLKGJSDIFLKFB-INIZCTEOSA-N 434.374 1.652 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCOCC1 1464127764 XVLJSGDKCGPDBC-LJQANCHMSA-N 426.560 1.568 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)c1 1470872875 GDKMKQQBOWFCPS-FQEVSTJZSA-N 427.526 1.509 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1470981978 AGUGJTPPLQNYGB-SFHVURJKSA-N 426.565 1.769 30 10 IDEE CC1(C)OB(C2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)OC1(C)C 1471647443 BEFHJPZJJSBBQW-UHFFFAOYSA-N 448.354 1.926 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCS(=O)(=O)CCO1 1472396620 HUDLGGRVWNGNRR-KRWDZBQOSA-N 435.502 1.581 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C[C@@H]1C 1503889931 QZTFUVVWXRTBFH-WCJKSRRJSA-N 440.504 1.634 30 10 IDEE COc1ccccc1O[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1504426056 IDCLRIOHZMBFGQ-SJORKVTESA-N 440.504 1.605 30 10 IDEE C#CCN(c1nnc(C)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507624669 CUYFHWGJKNCREO-CYBMUJFWSA-N 428.440 1.265 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCSC2)n1 1507715656 AYDONLJXNSIRSO-DYESRHJHSA-N 446.577 1.133 30 10 IDEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)CC1 1507787060 BAMMPWCYJHDGBN-UHFFFAOYSA-N 430.310 1.752 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1507808172 QKDXBSJALVGOGT-JLMWRMLUSA-N 427.553 1.823 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508167177 JBWRXUPBYNOGFE-KRWDZBQOSA-N 448.593 1.147 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1509631398 WWPOMSQPOWIBNT-UHFFFAOYSA-N 446.519 1.658 30 10 IDEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1512700841 OEFRZWKWWOKUIG-VZKMNXCRSA-N 441.532 1.974 30 10 IDEE CN(CC1CC(F)C1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517201209 HQMGDYPXKHHYDO-JHBUPBBMSA-N 432.500 1.883 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1519190453 CKFLGIFSIYXBLQ-IBGZPJMESA-N 448.531 1.682 30 10 IDEE Cn1ncc(I)c1C(=O)N1CCN(c2ccsc2C#N)CC1 1532372801 RVCFSBIRUVBFBX-UHFFFAOYSA-N 427.271 1.920 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCCC1 1539193804 LQAKSPQZXXBKLG-UHFFFAOYSA-N 435.575 1.696 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539216966 YIYPKKWCMOWREU-KRWDZBQOSA-N 425.514 1.957 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC 1539301205 MLRIGLJWLOKNRF-UHFFFAOYSA-N 437.529 1.347 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1539429823 CTHKFZXDNNJVKY-XUZZJYLKSA-N 444.624 1.806 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 1539498409 SYWGUZPXWUNMAY-LBPRGKRZSA-N 437.513 1.954 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539614639 AWTREFCBNDLHJO-YRXWBPOGSA-N 448.568 1.539 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1539802939 CJIJHIVZNHFEQM-AWEZNQCLSA-N 429.974 1.674 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1540171099 VNJYSWHNRBBQKT-INIZCTEOSA-N 444.540 1.942 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)CC1 1540549914 BUJZWFZWGYFXMM-KRWDZBQOSA-N 442.476 1.143 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1540862721 HWTPCPGOCPYJHB-OAHLLOKOSA-N 438.540 1.097 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1540893971 NWNOKLLLLQEKPB-SFHVURJKSA-N 449.552 1.825 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)OC)CC1 1540902523 LJIOOIXQSSITNK-MRXNPFEDSA-N 426.539 1.510 30 10 IDEE C=CC1(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1544079074 DOWYGUUHHOCBJX-DLBZAZTESA-N 442.578 1.994 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(CN3CCOCC3)cs2)s1 1544638463 HSDRPYIKDMOJMP-UHFFFAOYSA-N 442.588 1.682 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCOC2)C1 1548334706 JCDXZTJXMSCEFS-NRFANRHFSA-N 444.561 1.763 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1557503943 OYIYOEKYJLUXHE-UONOGXRCSA-N 435.916 1.855 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 1558112287 DUEMWYOEVTXTAJ-ZWKOTPCHSA-N 440.443 1.862 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1558709665 FODXEEHHMMVGFO-OCCSQVGLSA-N 445.501 1.138 30 10 IDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1560072518 NOSQWMLCVREBTF-LSDHHAIUSA-N 436.603 1.630 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568505872 YLQXJFWIMKTBGS-STSQHVNTSA-N 442.516 1.536 30 10 IDEE CN(CCCn1cnc2c(N)ncnc21)C(=O)CCC(=O)N(CCC#N)c1ccccc1 1570454256 AIASFSGFFPLINV-UHFFFAOYSA-N 434.504 1.984 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1587638986 IQAYRUYKHVVOSR-DOTOQJQBSA-N 434.541 1.571 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1587765738 JIHGVRICYNJECG-SFHVURJKSA-N 435.594 1.726 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588050623 UAKNSRPGGOXAEX-QGZVFWFLSA-N 444.561 1.192 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588053670 HBGDYTRZFULMBJ-QZTJIDSGSA-N 437.610 1.387 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1588139143 MLAOJXRIZRCLDF-QZTJIDSGSA-N 442.541 1.729 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccn(CC)c1=O 1588628774 OVDRAPGKAKEGTL-UHFFFAOYSA-N 438.488 1.322 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589096960 JAFIHTJYARRZGR-RTBURBONSA-N 428.558 1.790 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1593696332 NOEBLLPLXCHTQD-NVXWUHKLSA-N 437.570 1.556 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1593741079 IYXAAWREBQIUEC-SFHVURJKSA-N 429.525 1.441 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCOC2)CC1 1594097154 MULLLDQCBYLIHC-IRXDYDNUSA-N 425.555 1.194 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595593911 JXBBWOXSOUNQCP-CECAUBDESA-N 433.553 1.625 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)Br)C1 1595674589 QYDOLZUMAFCPTC-STQMWFEESA-N 434.360 1.578 30 10 IDEE C#CCN(C(=O)C1CCC2(CC1)NC(=O)NC2=O)C1CCN(C(=O)OC(C)(C)C)CC1 1596146658 AIKKBTNJXJKAIG-UHFFFAOYSA-N 432.521 1.616 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1596782548 JAILZRVFFDUQKC-BDAKNGLRSA-N 429.291 1.472 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1596830760 DZOPKZOWQZHAPR-HNNXBMFYSA-N 432.475 1.992 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)cc1C 1612108790 SVDQMOASSIWLGF-GOSISDBHSA-N 444.561 1.992 30 10 IDEE CCCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1614585152 UNVAYPIREPXRMQ-QZTJIDSGSA-N 440.552 1.975 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1616222228 AUHQHCOYUHHNNT-PKTZIBPZSA-N 446.596 1.907 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CCO1 1620356792 IUAVNNDPGWYSKR-RBUKOAKNSA-N 431.468 1.921 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)[C@@H](C#N)C1 1621714764 CHTYNAYNCHUMHP-LSDHHAIUSA-N 435.502 1.583 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CC1 1622493568 IHRLTELMXAZYNI-UHFFFAOYSA-N 429.296 1.039 30 10 IDEE C#C[C@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 1625165501 OLASIPYKBIVWGU-CYBMUJFWSA-N 429.429 1.604 30 10 IDEE CCn1cc(C(=O)N(CC#N)CC#N)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1626566587 BQUXGVVTXNDWEH-UHFFFAOYSA-N 426.908 1.916 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1629716804 RDNGRXQVLGLXCG-FQEVSTJZSA-N 427.526 1.872 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CN(C(=O)OCc3ccccc3)C2)s1 1629738444 PUIKMMDFUUZSIP-UHFFFAOYSA-N 449.554 1.892 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2cc(C#N)ccc2F)C1 1629979565 SSXWMSVYFPIEKV-HNNXBMFYSA-N 425.482 1.738 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCN2C(=O)COc3ccccc32)c1 1630371534 GSNYSMQFLKVUQT-UHFFFAOYSA-N 431.445 1.668 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@@H]2COC(=O)N2)CC1 1639743414 OEHKFKINXWBUIC-IRXDYDNUSA-N 448.545 1.487 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1640916207 MXTGSBGUHHSMOF-OAQYLSRUSA-N 443.525 1.693 30 10 IDEE C[C@H](CC(=O)NCCc1cccc2c1OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 1646412496 NBCMZWITSFTRHR-CQSZACIVSA-N 429.498 1.634 30 10 IDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1651055238 SPKMDRZCSHPZHH-JKSUJKDBSA-N 425.526 1.764 30 10 IDEE C#C[C@H](NCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCCO1 1654218840 PQSPKKHDANKYDX-VQTJNVASSA-N 435.546 1.041 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1654437384 OUJHGCIOVOWOHZ-UHFFFAOYSA-N 446.495 1.034 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1664903886 MGRLYRVKLJLZHT-UHFFFAOYSA-N 442.559 1.437 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C(=O)OC 1670893189 GZISXUUWHDZACQ-LBPRGKRZSA-N 442.462 1.446 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCc3nnc(N4CCCC4)cc3C2)C1 1681432989 AUUSGCRKTYFTPG-FUHWJXTLSA-N 441.536 1.904 30 10 IDEE Cn1cc(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c(-c2ccc(C#N)cc2)n1 1681499350 KEVFCPSXRBFGQZ-UHFFFAOYSA-N 429.424 1.735 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1689858199 JDJBFXNHSRGPFP-MRXNPFEDSA-N 429.546 1.869 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1690076951 FFVNJUAWNBRMDO-GOSISDBHSA-N 429.546 1.390 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CC1 1690122670 YOVZFLJXHHDGEO-SFHVURJKSA-N 446.914 1.856 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NCC)CC1 1690461154 VLIKJCGTTGQTBO-UHFFFAOYSA-N 443.552 1.620 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690507607 QKUDAODAMASMCY-UTKZUKDTSA-N 429.525 1.307 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCS(=O)(=O)CC2)C1 1690710349 RAXJDMYTJDIOKK-QGZVFWFLSA-N 437.566 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690723653 XUHALFRQEACGSB-INIZCTEOSA-N 447.565 1.154 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1692593781 JCBFVKGKTBTIRU-PGRDOPGGSA-N 448.568 1.158 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC 1694329294 KIDXUPPAVSBEKM-UHFFFAOYSA-N 427.509 1.768 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1694966782 DBBZJKXJIGBBOD-SFHVURJKSA-N 427.505 1.885 30 10 IDEE COCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1697999704 GIENADOWVQLLTI-GOSISDBHSA-N 448.549 1.156 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cscc2C)CC1 1705647599 ISNOINJRIHUPLD-KRWDZBQOSA-N 426.546 1.613 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705702325 GWFWAIPWUKANFM-BQFCYCMXSA-N 429.525 1.937 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1705702585 ICQVVGMLFFEHHH-ICSRJNTNSA-N 426.521 1.616 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705725895 WZLIVBKQKJHJAC-CVEARBPZSA-N 442.549 1.133 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705881230 HFCAHHKHPXFNFS-VGOFRKELSA-N 442.520 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1705932129 MMJWTDKCLGJIST-KRWDZBQOSA-N 434.566 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@@H]1C 1705935912 GLTAGONRRYXYLG-SOUVJXGZSA-N 448.636 1.111 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C2CC2)c1 1706890181 MIEWIZYZAGMQKM-KSSFIOAISA-N 430.534 1.543 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1708241503 OLIIDTICDUYISF-QPQFLAEFSA-N 432.550 1.986 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)CC1 1712886512 VLJOENPRBITWSZ-KRWDZBQOSA-N 425.493 1.861 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722361373 MLSLXTOYIIMANK-SFHVURJKSA-N 440.529 1.254 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1722380067 BNOQZVQHLZOVFL-QGZVFWFLSA-N 432.484 1.862 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NCC 1722386649 FZUHKTQVMKLHJA-UHFFFAOYSA-N 426.546 1.505 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722419949 DRDAEMIOBAXCQA-UTKZUKDTSA-N 448.520 1.111 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1722475751 HBPJXIKKVUMSRO-HXUWFJFHSA-N 433.578 1.750 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722527568 NZJMRSLTUKIHQJ-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1722533327 OROCLZMYLDHLTD-HNNXBMFYSA-N 432.475 1.954 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1723777942 BXQXAAXLKAYWTL-YOEHRIQHSA-N 440.533 1.752 30 10 IDEE Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)on1 1726439308 DTFMKGIMZJKGHA-MRXNPFEDSA-N 428.474 1.422 30 10 IDEE CCN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N 1728262380 HAKCZWQEBCNUOE-INIZCTEOSA-N 425.541 1.669 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1740533885 VAJRHGIFHLPMGH-GJZGRUSLSA-N 429.550 1.855 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCNS(C)(=O)=O 1740537369 UDMJHMSAMYEDKI-ZDUSSCGKSA-N 427.477 1.944 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1740689147 PXDVCBMYPCGNSI-QGZVFWFLSA-N 428.512 1.778 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)CCN1CCOC(C)(C)C1 1740961923 MVPRXJWXNUTDBR-UHFFFAOYSA-N 444.555 1.857 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740964803 IUFCEHPNWCKILG-HSZRJFAPSA-N 448.612 1.932 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1748751141 CQBLLPPOZQAWNW-FXAWDEMLSA-N 439.582 1.420 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1748771081 HDTGYDSDMCBSNX-QFIPXVFZSA-N 426.521 1.280 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748814969 MGLPWTXILKISJM-MJGOQNOKSA-N 435.594 1.283 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1748993458 YOWRCQHVIRAWCT-FPOVZHCZSA-N 427.524 1.815 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCC2(O)CCOCC2)CC1 1748994999 VPMNQHWESOOZBP-UHFFFAOYSA-N 439.560 1.586 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1749020458 TWWVIGRVWQJSNH-UHFFFAOYSA-N 432.594 1.764 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749234762 IXECSHJQIUSXRH-LJQANCHMSA-N 442.568 1.773 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749428041 XNNFNUPRAIFJEM-MOPGFXCFSA-N 448.593 1.865 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1749565752 QPVQSKCSDUMOJE-INIZCTEOSA-N 440.533 1.534 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2oncc2C1 1749655073 CCRQGQRBMHICNF-UHFFFAOYSA-N 432.282 1.889 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749667001 RSXDTVWTMIFPPU-KRWDZBQOSA-N 425.537 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1749731330 BMFUFWGVKHMZNH-QZTJIDSGSA-N 445.545 1.877 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOCC1 1750736315 VJXHWQKOXSAISV-UHFFFAOYSA-N 425.537 1.734 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1751008150 IDBJOUVJRYCDQQ-QRWLVFNGSA-N 449.533 1.455 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1760122722 QYPPBLHLZWTHEV-LAUBAEHRSA-N 432.546 1.481 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760135792 JFPTWXWWLHZFAA-QGZVFWFLSA-N 433.582 1.590 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1C 1760219610 IUZUGEZZUAZFOX-QYZOEREBSA-N 433.578 1.510 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nnc(CC)s2)CC1 1760268786 OUOISMATNVMKTF-UHFFFAOYSA-N 439.549 1.107 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1760268944 RZDRPYJVLWAOMH-LNLFQRSKSA-N 442.564 1.400 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760375686 UCNZZCRDLIAASC-NVXWUHKLSA-N 449.987 1.551 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1760494937 ALKRXGXBMNMBPW-GOSISDBHSA-N 437.610 1.594 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760522692 AXUPDKZKHVNBFA-PNLZDCPESA-N 426.521 1.723 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCC2)C1 1760535557 SWEUEPFLNYGEDU-DLBZAZTESA-N 440.614 1.544 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760548104 YFWDUDXHRCDCAI-YESZJQIVSA-N 425.555 1.192 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC(C)(C)O1 1763082328 ORIQKCAUVYSQNX-INIZCTEOSA-N 447.561 1.882 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CC(F)(F)F 1763113081 FIWOXIVGLIWGRT-SWLSCSKDSA-N 437.426 1.815 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1767946090 VTYTZGGGHUFEBD-GOSISDBHSA-N 426.477 1.511 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCCNS(C)(=O)=O 1768633828 JCVRHANWQMLRAD-SFHVURJKSA-N 432.550 1.619 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1769619010 AESJKUXLXBCKKN-KRWDZBQOSA-N 436.520 1.854 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1770785866 IMWSCSJIYSEOFV-GDBMZVCRSA-N 438.529 1.776 30 10 IDEE COCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771275266 OBEXVNSEEVBCFA-OAHLLOKOSA-N 428.493 1.370 30 10 IDEE CC[C@H](C)[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772789690 DFONCBDKVFHODM-YVEFUNNKSA-N 441.465 1.894 30 10 IDEE C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853952594 CXSZGWONAWGVRX-CQSZACIVSA-N 431.445 1.524 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855869946 KFSXHTWBBHUKTH-QGZVFWFLSA-N 433.530 1.470 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@H]1C 1857064318 UTPMAXFOECIIBR-OAHLLOKOSA-N 427.482 1.937 30 10 IDEE COC(=O)c1c(C)oc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C#N 1859760124 CKJKKWCLYWSIAB-UHFFFAOYSA-N 433.442 1.520 30 10 IDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCC(O)CC3)ncnc21 1873596326 RITBDTXLVBUTMT-UHFFFAOYSA-N 444.517 1.004 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124520998 AUTLFOPXQUHCHI-CRAIPNDOSA-N 448.369 1.919 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)[nH]n2)OC1(C)C 2243384869 YARANHYLAGEVNW-UHFFFAOYSA-N 440.309 1.804 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247834357 UTZHNORRLVUSME-RYUDHWBXSA-N 439.343 1.152 30 10 IDEE C[C@H](COCc1ccccc1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247954606 ZPJLGRDOTBKRRV-OAHLLOKOSA-N 435.355 1.603 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2248416476 SRLKLIMBOVACMI-VIFPVBQESA-N 448.301 1.746 30 10 IDEE Cn1cc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255650231 OMGZKZBAIVKJPG-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255707668 ZGYRKUFRNZXVGV-CZUORRHYSA-N 435.330 1.583 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267159752 LKRJPYJVNRCCFO-OAGGEKHMSA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2267172635 CKLHTGYUKCEONR-GOEBONIOSA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267266407 CMAJYXYQGZVQSK-FUHWJXTLSA-N 446.353 1.943 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)nc2)OC1(C)C 2267549532 MWWGAFJCQPVKRO-CYBMUJFWSA-N 442.247 1.449 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267883368 DOBPZAGNTWSUAG-OAQYLSRUSA-N 448.329 1.189 30 10 IDEE CN(CC(F)(F)CO)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282317036 LLLYLLPWXUUNCX-UHFFFAOYSA-N 431.719 1.949 30 10 IDEE N#Cc1ccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2286057782 RKKHUJRYUCGPKV-KRWDZBQOSA-N 435.433 1.496 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@@H](C#N)CC12CC2)NC(=O)OCc1ccccc1 2288539208 GXYARORTBSDZCY-SJORKVTESA-N 435.502 1.552 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2337325085 CFXCSIUKTNCKJX-RCDICMHDSA-N 446.357 1.767 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2340993677 ZJRVYNHSRUBKRI-OFQRWUPVSA-N 446.357 1.847 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C#N)c1)C(=O)CO2 8598422 YSNFUZAVGJAMMC-UHFFFAOYSA-N 442.497 1.953 30 10 IDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 27902737 LZQSAXNMURZOKO-HXUWFJFHSA-N 427.593 1.076 30 10 IDEE CC(=O)OC[C@@H]1O[C@H](Oc2cccc(C)c2)[C@H](/N=C(/C)O)[C@H](OC(C)=O)[C@H]1OC(C)=O 328590646 LERJREBRRWXADA-SSTJLMRISA-N 437.445 1.870 30 10 IDEE C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 438538984 GXMKGLCDBCAURH-INIZCTEOSA-N 427.530 1.656 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 466375135 QKFKVIOZAJGRSH-HNNXBMFYSA-N 439.354 1.846 30 10 IDEE N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)CC2)cc1 476999789 WKJOMYIZHMZGEH-UHFFFAOYSA-N 431.539 1.395 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H](COc4ccccc4)C3)n2)cc1 484465249 ZLHFOMYDKFXHKR-FQEVSTJZSA-N 446.467 1.443 30 10 IDEE N#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C1CC1 505981585 LTYHGBDQCHGPMM-IBGZPJMESA-N 432.546 1.730 30 10 IDEE CN1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508651094 FJWFWAAZNBWUDB-VXKWHMMOSA-N 438.576 1.865 30 10 IDEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 508845888 DLAUPZHBXLNMNV-MRXNPFEDSA-N 444.561 1.583 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(Cc2nc(C)no2)CC1 508911357 AJPAILNIGQOWEA-UHFFFAOYSA-N 443.533 1.548 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 532546722 QOIBJLNHMWRRFP-FQEVSTJZSA-N 439.541 1.394 30 10 IDEE CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccncc1C#N 548151938 PHQZJRRFZIQNDO-UHFFFAOYSA-N 449.920 1.702 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 560403036 OPJKXSIJXRBXEZ-UHFFFAOYSA-N 440.525 1.392 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NCc2ccc(C#N)c(OC)c2)c1 565278336 DSRKQHAJGPSHEW-UHFFFAOYSA-N 437.460 1.901 30 10 IDEE C=CCOc1ccc(NCC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1-n1cnnn1 586269281 RZPZKRDQXQGDGR-UHFFFAOYSA-N 428.474 1.453 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2Cl)c1=O 676038327 IAHJKPYETRTBKE-UHFFFAOYSA-N 447.919 1.663 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCc1cccs1 727814599 JAFJBBOVOKIGEU-UHFFFAOYSA-N 430.518 1.821 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(NS(=O)(=O)c2cccs2)CC1 731904852 OXABFQRIERWARQ-UHFFFAOYSA-N 426.545 1.214 30 10 IDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732698645 CPEGNZQBPQICKL-GOSISDBHSA-N 426.521 1.287 30 10 IDEE COc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Cc1ccccc1 737305127 FFKWNAKCJRFLIL-QURGRASLSA-N 448.479 1.867 30 10 IDEE CN(C)C[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470344 GMULDJBICBODKI-OAQYLSRUSA-N 435.480 1.660 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)OCC[C@@H]4C3)CC2)cc1 764480500 SMXAMFGGMGDBRG-QGZVFWFLSA-N 432.502 1.012 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 770889112 BRDJTUVTBMHTDI-QGZVFWFLSA-N 444.557 1.366 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1cc[nH]n1 772610909 PDKPUQMUFFJQSX-ZFWWWQNUSA-N 437.497 1.455 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 779583172 ACPLHHAAYAUUAO-MRXNPFEDSA-N 432.502 1.517 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 784123194 BNECZJMCUQFMSR-SFHVURJKSA-N 434.537 1.783 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCc3ccc(C#N)c(F)c3)cc2)CC1 791278968 ANMRIGAGQIHTAQ-UHFFFAOYSA-N 445.472 1.907 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1C 807930087 PPQAKXDOPALAPB-SFHVURJKSA-N 443.577 1.632 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(-c3ccc(F)cc3)c2=O)cn1 839203288 QZYPLFKMTLIKBO-UHFFFAOYSA-N 445.479 1.913 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccnc(OCCN(C)C)c2)c1 1125418706 JUGMKQJKUYQCIM-UHFFFAOYSA-N 436.512 1.509 30 10 IDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1126549208 BXZNFKXUBTXACE-JOCHJYFZSA-N 429.440 1.604 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1131841874 BDPAQFIDNQNEDO-RBUKOAKNSA-N 431.537 1.986 30 10 IDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(C)CC1 1134044388 WAYUEKHZESZHJC-UHFFFAOYSA-N 433.574 1.196 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)CN(C(=O)OC(C)(C)C)c2cccc(OC)c2)CC1 1140133366 YHGWMJLMAMFJHD-UHFFFAOYSA-N 444.532 1.330 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OCC)C2CCOCC2)s1 1152930150 LQMRJUIYMXZCSY-QGZVFWFLSA-N 430.548 1.229 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(N3CC[C@@H](O)C3)CC2)CC1 1174741525 BINQIZLMUHYTSH-YADHBBJMSA-N 429.540 1.066 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H](O)c2ccccc21 1198086158 YLNORXGCOWSZHB-YRFFXBIPSA-N 433.530 1.714 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1286294199 BZENRFFUWPNEDJ-KSZLIROESA-N 440.614 1.045 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2CCOCC2)c1 1286309336 JVKNFITWZYFZOI-LJQANCHMSA-N 436.516 1.712 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286314213 MAJZLIIPQBIYMT-QGZVFWFLSA-N 425.493 1.070 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286324485 QSFZXTWWCPNLHT-KRWDZBQOSA-N 436.582 1.283 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(=O)COC)CC1 1286346090 OJZBGMWTGHKFTM-UHFFFAOYSA-N 425.489 1.819 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1286348150 GUWPRUHBUZOYRJ-UHFFFAOYSA-N 442.545 1.476 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCC(OC)CC2)CC1 1286480615 NVZCTCSUYVESFB-IOJLRTSASA-N 449.621 1.531 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(CCC)C2)CC1 1286491299 MFNUQXAFSFVLAF-HXUWFJFHSA-N 449.603 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1286491365 OQELNCMAGYVDHA-UHFFFAOYSA-N 429.484 1.743 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1289085126 IKYUYSIXXLHNBM-DLBZAZTESA-N 428.493 1.970 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)Cn1cnc(C#N)n1 1300177217 HOYIUTCAENXOIA-UHFFFAOYSA-N 426.481 1.184 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCCS1(=O)=O 1300324966 PONXCFYDBISLMZ-MRXNPFEDSA-N 433.534 1.359 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1300509238 HTLFDUKYJZSQBO-JKSUJKDBSA-N 433.509 1.568 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCCC 1300537776 JWUMCPFBVKAGKP-UXHICEINSA-N 431.606 1.908 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1300643230 ZGHGWEOOTPHOFI-IYBDPMFKSA-N 439.582 1.943 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](Cn2ccnn2)C1 1300645847 CKIWUBLYKBNFGK-RDJZCZTQSA-N 430.534 1.424 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc(OC(F)F)c(Br)c2)c(=O)nc1O 1301213301 NBDNIMDLWHRPFC-UHFFFAOYSA-N 429.177 1.614 30 10 IDEE CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1=O 1303177658 FZRUVZWKIGHOMV-UHFFFAOYSA-N 448.487 1.743 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(N)=O)c1 1305788797 CBKWEYYXHUHLNJ-QGZVFWFLSA-N 425.493 1.072 30 10 IDEE N#Cc1cccc(CN2CCC(NS(=O)(=O)C3CN(C(=O)C4CCCC4)C3)CC2)c1 1309635157 GKBBANLBLCHVPZ-UHFFFAOYSA-N 430.574 1.843 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCC[C@@H]4CCCS4(=O)=O)CC3)n[nH]2)cc1 1313217465 AUTFOXSRVWMTFS-SFHVURJKSA-N 442.545 1.747 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314634766 NCAUNTYPNIRZBF-UHFFFAOYSA-N 432.488 1.743 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1315163902 CCCVMIOVMOCHCG-KKSFZXQISA-N 445.545 1.779 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C[C@H](C)O1 1315932140 CAVYKCOTQPSJBB-WFXMLNOXSA-N 440.548 1.778 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(CCC#N)c1C 1349794494 PBWWARCDTQCYFG-UHFFFAOYSA-N 447.517 1.777 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC(OCC)C1 1358937816 INDCTQPFFXDDBB-UHFFFAOYSA-N 431.924 1.861 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1358971826 JZPAZRXYYSKSIA-SFHVURJKSA-N 448.552 1.881 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1359037867 ANYJJNNCYCVYPW-UHFFFAOYSA-N 443.573 1.232 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](OCC)C(C)C)CC1 1359044867 QKVVCDLYXCDRBX-RBUKOAKNSA-N 444.580 1.646 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359060531 YEVFDVHTPPELNM-KRWDZBQOSA-N 436.607 1.520 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359228707 MAHWFMHYTVFNSV-HNNXBMFYSA-N 446.533 1.503 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1359281870 LIINZHRYHNCDCI-KRWDZBQOSA-N 444.561 1.823 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359292774 XIJPFTSRDYYPCX-DAYGRLMNSA-N 442.495 1.574 30 10 IDEE Cn1nccc1[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1452803328 WFGHPZUOTJLVJD-QGZVFWFLSA-N 447.517 1.048 30 10 IDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1461626733 BMOCUYDVMHQQQJ-DOTOQJQBSA-N 436.486 1.331 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1462702176 KEXTYWUOIWYQCJ-LJQANCHMSA-N 440.525 1.619 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)c(OC(C)C)c2)CC1 1471450514 CKNWEPGNEZSSSQ-UHFFFAOYSA-N 444.351 1.462 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CC1 1476246871 OCXWZHIFKNEXFX-UHFFFAOYSA-N 448.480 1.370 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)C1CCOCC1 1479007585 LMWWMJQENVADAK-OAHLLOKOSA-N 449.558 1.136 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)n1 1492753596 CSXFGFMVKGNYPJ-UXHICEINSA-N 426.569 1.989 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1505079832 NUYIYTTVKYKVBS-MPGHIAIKSA-N 444.492 1.792 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1505323489 YKEPBBSPTZMVMM-PKOBYXMFSA-N 442.495 1.399 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC 1507521395 MLDIIRLNIYFUTL-LLVKDONJSA-N 444.330 1.854 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1507534518 QGFDCTPPEFFYQR-DZFGPLHGSA-N 436.560 1.692 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1507630771 HDMLYLSEHYAFDG-SFHVURJKSA-N 441.561 1.804 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)F 1507636318 CDGPMAFSKPCMLO-UHFFFAOYSA-N 428.443 1.601 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1507655761 OISUXPWCVIKHBW-XMMPIXPASA-N 433.512 1.949 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NC(C)C)CC1 1507723886 YBZOKGQIRVGYMR-UHFFFAOYSA-N 433.516 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507736776 SZRQWOZYEYCMRR-MSOLQXFVSA-N 444.580 1.252 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C2CC2)N(C)C)CC1 1507739214 BNESICJODIYRGG-NRFANRHFSA-N 435.576 1.570 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507739759 KKYOYPXEVGZPTI-AOMKIAJQSA-N 443.573 1.436 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC=CO2)CC1 1507741105 LIQLWTUDHIPDTF-UFYCRDLUSA-N 443.548 1.661 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507783178 CPCUXKXGEVRHHN-UONOGXRCSA-N 448.387 1.551 30 10 IDEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507836449 LJFKCFYRQSOJRS-CVDCTZTESA-N 446.596 1.639 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1508006926 YKVKHUARWGXKNI-OAQYLSRUSA-N 430.578 1.835 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(CCC)CC1 1508071498 JZRDWQGEERQMRG-UHFFFAOYSA-N 440.552 1.538 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098362 OOAKNSADLZQBEA-NPPFBWRTSA-N 449.552 1.005 30 10 IDEE CC[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514112177 RHFHJLXRHQRILT-CVTQAYBASA-N 427.509 1.163 30 10 IDEE CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1515110350 IDGOJMBVEDZTBN-NRFANRHFSA-N 441.515 1.420 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1517648272 JAZVXBWQPMCWLW-IAGOWNOFSA-N 438.488 1.397 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2=O)cc1Cl 1531316232 IKBMTYOMWIWTLG-LLVKDONJSA-N 437.827 1.658 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CN(CC(C)C)CCO1 1539002663 GOZJNNCURIZDNH-DLBZAZTESA-N 428.537 1.821 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539377538 SDNBAWHGAPFIHF-QZTJIDSGSA-N 448.593 1.064 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1539429821 CTHKFZXDNNJVKY-URXFXBBRSA-N 444.624 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539467511 SMXLWIASLGYSDP-FQEVSTJZSA-N 444.624 1.898 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1539760245 ZKEPRJQRKNEDAA-FGSXEWAUSA-N 433.553 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1540905024 QAJVMKJWJVFUHD-UHFFFAOYSA-N 436.582 1.696 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1540917043 MJWKSCRZBFAVFZ-KRWDZBQOSA-N 449.602 1.835 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1540922742 WXWYTOGPWLRCCJ-VQTJNVASSA-N 437.566 1.880 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1541260122 YHMNHKIUSPIFPV-LJQANCHMSA-N 435.532 1.790 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2nnn(C)n2)cc1C 1542425901 DFXXNIQSWHORTM-NRFANRHFSA-N 434.508 1.849 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)c1cc[nH]n1 1542487038 ALNLOSZHJPXCHM-IBGZPJMESA-N 427.505 1.955 30 10 IDEE Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543274500 YOFDYPKGDSCTPS-MJWGMMHASA-N 441.467 1.695 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)cc1S(=O)(=O)NCC#N 1544508735 IFISCVLBWBOZOV-IBGZPJMESA-N 440.525 1.832 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1555545010 ASFSUKQMHPOHBI-SFHVURJKSA-N 439.520 1.278 30 10 IDEE COCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1555569718 DMPGXBQHGRIFBP-LJQANCHMSA-N 434.504 1.628 30 10 IDEE COCCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1555685691 WIKIGUZQXCCEKQ-OAQYLSRUSA-N 430.484 1.932 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCN1CCCC1 1555753585 SGRSGPJLYIMHEE-UFYCRDLUSA-N 432.569 1.997 30 10 IDEE CSCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1555934873 MDSANWYEIUESNZ-CQSZACIVSA-N 425.518 1.674 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCO2)nnc1N1CCC(CCCO)CC1 1556023306 YTNCUPNKPJVNBY-BWVDKLOVSA-N 444.536 1.645 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)C1 1556619788 UFYMBVZFSMJCBY-DLBZAZTESA-N 438.347 1.935 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1557384422 ORKBAPZRGOYTFA-LJQANCHMSA-N 446.529 1.756 30 10 IDEE C#C[C@@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1569253923 XGQSGNSWBRGORQ-NRFANRHFSA-N 435.546 1.226 30 10 IDEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1570455937 DLDNWRNJCWAQTA-CVEARBPZSA-N 427.505 1.936 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588035696 XFXYKQSVCQXTSP-CRAIPNDOSA-N 447.517 1.763 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588064781 PDTYSCKNUZKDDW-RBUKOAKNSA-N 431.562 1.562 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1588128555 OJOZHTNSJSGKAM-SJORKVTESA-N 428.537 1.948 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1588673661 WLJKESRCPVSCJC-INIZCTEOSA-N 442.486 1.371 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](COC)OC)CC1 1588761886 BNHOKOITHYOBGV-HNNXBMFYSA-N 437.342 1.452 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)nc2OC)CC1 1588848863 OWNDEPXGAJURDY-UHFFFAOYSA-N 433.516 1.480 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1588864946 MQBWFMSNKXDFPM-HSZRJFAPSA-N 436.516 1.289 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589097550 SMBQVKPISGSCEP-UHFFFAOYSA-N 425.624 1.847 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589581784 WIHNFLWJUNTMPS-KSZLIROESA-N 439.582 1.583 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C2CC2)N(C)C)CC1 1594096863 JOPRXBJEKOROKR-MSOLQXFVSA-N 438.598 1.108 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1595219786 XQZCOXJAAGCSPB-OAHLLOKOSA-N 434.566 1.711 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1595577354 QGQZPMLJRQGURH-KRWDZBQOSA-N 426.521 1.560 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)C1 1595729541 NERPWKSNQSBSQD-QAPCUYQASA-N 449.533 1.121 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595812422 SNERTUFBZTUVGB-UTKZUKDTSA-N 447.561 1.249 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595821676 CGNDHNITNAZWIY-KRWDZBQOSA-N 447.561 1.433 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1C(C)(C)C 1595831290 OUDFDHKRIMKWNO-CALCHBBNSA-N 427.615 1.722 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1C(C)(C)C 1595831298 OWRKXILMTCVQES-KRWDZBQOSA-N 425.599 1.335 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1596869975 UHMPPQBPTJWKKU-GPMSIDNRSA-N 447.561 1.880 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N(CCC#N)CCN3CCOCC3)=NO2)C1 1598065256 BUTNCIULJLDZEE-NRFANRHFSA-N 435.525 1.217 30 10 IDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 1611098723 AGMNJDADAJPANH-LLVKDONJSA-N 425.262 1.294 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncn(C)n2)cc1Br 1612044719 ATPWRYJGIUNHFB-AWEZNQCLSA-N 443.309 1.922 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1612998627 PUOYDEDSGJDVKG-FUHWJXTLSA-N 444.561 1.446 30 10 IDEE CCOc1ccc(NC(=O)Cn2ccc(C#N)cc2=O)cc1S(=O)(=O)N(CC)CC 1614711590 APCJUVLPDKOEQD-UHFFFAOYSA-N 432.502 1.788 30 10 IDEE CCOCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1616748570 IWEDGFYKOGOKTH-ROUUACIJSA-N 436.582 1.759 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCNC(=O)CC2)n1Cc1ccc(C#N)o1 1618378979 UWCPHIOSXWHADP-UHFFFAOYSA-N 444.293 1.885 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)s1 1624273101 ZXLULZIONBMGTO-KRWDZBQOSA-N 432.589 1.182 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)nc(Br)c1 1627266066 XNTCCWRVOZCUQK-OWBHPGMISA-N 444.083 1.863 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)C1=O 1630512075 YIHORDNXIKWCBH-QGZVFWFLSA-N 427.848 1.514 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 1633867399 QVOWHRGYUSYVOK-MRXNPFEDSA-N 431.474 1.353 30 10 IDEE C#CCCN1CCC(NC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1634350443 CACBAOPXFIDBIJ-DZUCGIPZSA-N 425.451 1.576 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 1641789821 HBONVVQNDSFQGR-WMZOPIPTSA-N 446.573 1.755 30 10 IDEE COc1ccccc1[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 1642721083 FVHZNMMRXAEOEA-YWZLYKJASA-N 429.498 1.834 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1643888684 OJAPTDSBTIFHEM-OXQOHEQNSA-N 437.525 1.834 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN=S1(=O)CCCC1 1644050206 JPFVUMFECSZNRH-UHFFFAOYSA-N 440.591 1.664 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 1644284711 CZPCPPPBEGNWNI-UHFFFAOYSA-N 436.331 1.828 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)[C@@H](C)O)cc1 1644588144 XXNQQAWLATVULZ-YSGRDPCXSA-N 431.514 1.086 30 10 IDEE NS(=O)(=O)c1n[nH]cc1C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645936687 FUKJQNWSQMKRCP-WDSKDSINSA-N 442.288 1.300 30 10 IDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1661703374 ITZXORFHQPZLTG-JTQLQIEISA-N 439.271 1.602 30 10 IDEE Cn1cc(CNC(=O)NCCNS(=O)(=O)c2cccs2)c(-c2ccc(C#N)cc2)n1 1680576696 GYELKOVGWISYDK-UHFFFAOYSA-N 444.542 1.798 30 10 IDEE CC(C)(C)OC(=O)C1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CCOCC1 1683367719 ATXVSPDFXCFWHP-UHFFFAOYSA-N 429.521 1.923 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)C1 1686054797 DJFFVBKOSKDJSR-FJIDUMEYSA-N 442.520 1.305 30 10 IDEE N#Cc1csc(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 1687729993 YPWWZTOUFKCGAT-UHFFFAOYSA-N 431.503 1.107 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1689833175 DYZFHZNRSYMLRB-KIMHZCHSSA-N 430.505 1.969 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689993236 YNZAKARSNOALCR-OALUTQOASA-N 448.520 1.050 30 10 IDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(N)=O)C1 1690157414 GKLWNKJBUQFUHE-LBPRGKRZSA-N 437.367 1.724 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690182576 CSXLKPYYFDKNFV-AWEZNQCLSA-N 432.575 1.303 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C#N)C1 1690677446 WZPBWFFZBFMOIO-INIZCTEOSA-N 426.477 1.287 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690970365 DTYQXABLCOUBQF-OAQYLSRUSA-N 442.545 1.358 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1 1691015773 GAXBHVBPIUYEIM-KBPBESRZSA-N 428.522 1.251 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1691421828 CFBOTRKBNXSWAV-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1693857817 BQURHSPNWYMFJC-OAHLLOKOSA-N 435.575 1.820 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(F)(F)Br)CC1 1705635108 RKGBZELQIUDISK-INIZCTEOSA-N 448.312 1.673 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(CC)CC)CC1 1705769273 NSKKCVHYJYACEH-ZWKOTPCHSA-N 440.614 1.498 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1705832651 DMYFUBMGRVHHCA-LEWJYISDSA-N 435.525 1.554 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1705833433 GRBWGFWRZHHQKD-SFHVURJKSA-N 426.569 1.821 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705894995 QILSOMNSEUMMTA-ZDUSSCGKSA-N 432.554 1.800 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705896494 OIMAANJXUFOQQT-CYBMUJFWSA-N 447.337 1.677 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)C1 1705901082 ZZNVWHQHTRMTOL-GASCZTMLSA-N 437.504 1.108 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705903385 UNOHBGRIMVBKQM-WIEQDCTASA-N 432.525 1.188 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC=CCC1 1706888098 XASHQLTYZCHNHB-JZXOWHBKSA-N 433.582 1.421 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)CC1 1706936801 BOXGQEUOMGBWLY-ZNMIVQPWSA-N 426.518 1.272 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722321375 DLFONQBYFNSGBG-KRWDZBQOSA-N 446.552 1.657 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722366303 QWGCCIKVTBPIGM-HOTGVXAUSA-N 425.555 1.517 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1722398152 YJRLRZGJYCEQCQ-MOPGFXCFSA-N 440.573 1.726 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](F)COC)CC1 1722432122 SZMSYFYYVSVLSX-GOSISDBHSA-N 448.930 1.601 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCn2ccnc2C)CC1 1722445459 QULZDTCGYPQBOI-UHFFFAOYSA-N 432.532 1.901 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)CN2CCOCC2)CC1 1722446953 DVYGEUXSVWLKLY-IBGZPJMESA-N 430.597 1.411 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1722689883 BGJUXLVHBAXXSB-QAPCUYQASA-N 444.511 1.964 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722696711 DERRYQFKXFUNBQ-HUUCEWRRSA-N 444.561 1.986 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722698510 GLOFBEPJKPGBMA-INIZCTEOSA-N 442.520 1.384 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CN2CCCCC2)C1 1722703004 SSGDAXUXRJHLKL-ZJOUEHCJSA-N 446.596 1.617 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1723191174 LNOBZISAIATADA-UHFFFAOYSA-N 443.577 1.820 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC(O)CC1 1723308416 SNBXTRRVSSLGPL-UHFFFAOYSA-N 439.564 1.858 30 10 IDEE CN(c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1729366292 GUAGDYFCQYOQEE-IJYGLTAASA-N 428.518 1.682 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)CC1 1729669523 IZRBNQHBDXQRAG-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(SC)CCOCC1 1730871820 BJEUTIHPOPWOFJ-JKSUJKDBSA-N 425.555 1.643 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1740617305 PGJKFDCABNSOTI-HXUWFJFHSA-N 445.589 1.592 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)Nc1ccc(F)cc1 1740629757 YPOMQMHLDIFFQP-UHFFFAOYSA-N 431.431 1.776 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cncn2)nc1 1740660971 KXOFLIXFERFGRQ-FPOVZHCZSA-N 446.515 1.489 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1740671459 HVQKCKOUHDEMIC-MJGOQNOKSA-N 445.545 1.074 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740692246 UDPDMGAAAVVHPE-SFHVURJKSA-N 426.521 1.097 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)c2ccccc2F)CC1 1740702380 NGHRXQQVLAEWFZ-UHFFFAOYSA-N 440.523 1.936 30 10 IDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1740748095 GZXYAOZZMVCAEU-UHFFFAOYSA-N 444.380 1.747 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740805270 NBZRNZJEJFVYJG-UHFFFAOYSA-N 448.955 1.591 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1740937899 RWMMDHXOSSRZQA-GOSISDBHSA-N 429.521 1.859 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)C1 1740979008 GCXKHRXRVUCSOT-RBUKOAKNSA-N 438.532 1.613 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1747447568 HUNNGSPVPCHGFK-WMZOPIPTSA-N 446.533 1.036 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)c1 1748572098 LAULBSCXQVCORG-NRFANRHFSA-N 432.500 1.982 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnnn1CC1CC1 1748684605 MVRHPXBGIFMUBG-CYBMUJFWSA-N 425.522 1.172 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)N(C)C)c1 1748694618 KEAQGIOORUJKBV-UHFFFAOYSA-N 431.500 1.408 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1748790456 YSKQYTKNBOBEML-HRAATJIYSA-N 435.525 1.461 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748811805 LQVQXZBVTHTBQK-OAHLLOKOSA-N 448.549 1.425 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cn[nH]c1 1748950915 PQGPNJBKVKDBQQ-UHFFFAOYSA-N 428.518 1.400 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nncn2CC)CC1 1748999088 HYYMUANUELUYDR-UHFFFAOYSA-N 440.939 1.925 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCSC2)CC1 1749006713 XUDVGWXQKKBHKU-NRFANRHFSA-N 429.546 1.680 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC=CO2)CC1 1749015577 HMJHGXZMXJIETL-FQEVSTJZSA-N 437.548 1.798 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1749049945 TUYLTZFWKJATJY-UXHICEINSA-N 435.550 1.328 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1 1749065057 SLOHEEDZRJBHRB-SELNLUPBSA-N 427.597 1.495 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1749065773 BIXOCYPURFIXKG-ABSDTBQOSA-N 437.566 1.030 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749127481 MMKZHNYAQLSFQB-MOPGFXCFSA-N 444.580 1.700 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749241582 QDRMKEYKHBUREJ-VXKWHMMOSA-N 436.553 1.907 30 10 IDEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749417405 FYDBTCUAUWHFDE-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749462521 ZSEFWSBGUPVHCJ-IIBYNOLFSA-N 432.525 1.537 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749670042 NWIOVVUIBZKBGR-IRXDYDNUSA-N 426.525 1.186 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749671867 LVCLNVNKEQNDAL-GOSISDBHSA-N 431.562 1.493 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](F)COC)C1 1749701465 UPNZFDSWLFKSMF-FUHWJXTLSA-N 428.472 1.687 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1750380816 ZCPADXNLPVQRSA-CKJXQJPGSA-N 430.459 1.707 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1750384808 PQZFXAXIKCUVRI-UHFFFAOYSA-N 438.469 1.477 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1751004337 YUTXESAFAOPBMH-UHFFFAOYSA-N 433.538 1.264 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1751164317 LNKJEQURFWZKMS-QFBILLFUSA-N 441.492 1.550 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1751927826 CDXKGPOOFFUZLW-IBGZPJMESA-N 448.506 1.663 30 10 IDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC 1760166238 WSYDMFDYXSPNAU-UHFFFAOYSA-N 430.303 1.465 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760179059 LAYAEJACHXRMJC-JPLJXNOCSA-N 445.543 1.418 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760187437 DFGDQMSUBNDGQQ-HXUWFJFHSA-N 438.557 1.938 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)cccc1OC 1760205626 GJZGKEFQPGTLRX-OAHLLOKOSA-N 432.933 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1760222917 DDQCLOIBTWIEQL-UHFFFAOYSA-N 444.495 1.871 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC(C)(C)C2)CC1 1760269823 PSFISNSISUHWCU-GOSISDBHSA-N 447.605 1.582 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(OC)c2OC)CC1 1760273114 IUUCQBSJECKEIR-UHFFFAOYSA-N 441.532 1.846 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760285320 BVQKZENWTJFSHR-IRXDYDNUSA-N 441.557 1.947 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760327601 JLEOYNRWHGRTIK-NSHGMRRFSA-N 432.569 1.321 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1760359801 LCGPQFQNWZZTSB-UHFFFAOYSA-N 444.515 1.249 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760523781 HQEUWLBNLCWLDW-CYBMUJFWSA-N 443.533 1.821 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760532240 PSRSLWAUROXJBN-KRWDZBQOSA-N 440.504 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1760556543 HIVMBXOUIJFBIV-UHFFFAOYSA-N 446.577 1.169 30 10 IDEE Cc1nccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1762348371 PXBVGRDHHSOYSF-OAHLLOKOSA-N 434.570 1.614 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCO1 1765635454 CUXLTVQUTRAIDG-GOSISDBHSA-N 434.504 1.975 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1770205188 YSBNLRAWLHXJOD-GHDARCQNSA-N 432.569 1.853 30 10 IDEE Cn1c(=O)ccn(CC2CCN(CC(C)(C)C(=O)Nc3ccc(CC#N)cc3)CC2)c1=O 1851212217 KTXNGBLJIKJMCY-UHFFFAOYSA-N 437.544 1.990 30 10 IDEE N#CCCN(Cc1cccnc1)C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851284959 ONKGYBNDBKQXGL-OAQYLSRUSA-N 426.542 1.666 30 10 IDEE CC[N+]1(C)CCC(N(C(=O)CC#N)C2CCN(c3nccn4c(C)nnc34)CC2)CC1 1853403437 BQHURFPVBMPWFN-UHFFFAOYSA-N 425.561 1.773 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)[C@H](C)C2=O)CC1=O 1855722636 CQTXHILLRWOYJQ-IAGOWNOFSA-N 433.530 1.086 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(Cl)ccc3C)C2)CC1=O 1856804735 FBVKIXSIMKEHHA-UKRRQHHQSA-N 428.894 1.531 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3COc4ccccc4C3)C2)CC1 1857053780 VOPNZCGAKVDQGG-ROUUACIJSA-N 431.514 1.178 30 10 IDEE N#C[C@@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)[C@H]1CCCO1)CC2 1857231910 JUDRNVVINGZFBH-MAUKXSAKSA-N 429.498 1.596 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862567288 OTEZANNHADZYAS-GOSISDBHSA-N 428.441 1.865 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)cc21 1889365758 TWJDPXRUNIGGTC-MRXNPFEDSA-N 428.533 1.973 30 10 IDEE O=C(NCC#CCN1CCCC1)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1890639798 RKGWNQNGHTUBDD-LJQANCHMSA-N 434.518 1.353 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 1985011515 OLFVZBIWLNSDCG-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE C=CCN(CC(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1987168493 ISUHRZUEYRRGAG-HNNXBMFYSA-N 425.526 1.992 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987539626 VRLDSKXYVSUJQJ-PMPSAXMXSA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)N(CC(N)=O)C1CCN(C(=O)OC(C)(C)C)CC1 2054373364 VRHGDZPGSBCSRD-UHFFFAOYSA-N 440.360 1.412 30 10 IDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCCO 2130101966 XDAGXUUXLWIUHJ-CYBMUJFWSA-N 433.511 1.154 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1CC#N 2225637974 VANYVSOPXHABCH-SJCJKPOMSA-N 429.420 1.964 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243372948 RUQXRHZQKQUHCT-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE C=C(CS(=O)(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247911357 VRFLADZNPQLTJX-HNNXBMFYSA-N 448.391 1.663 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405793 WYFVKUUXCASYKO-FZMZJTMJSA-N 441.359 1.333 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2(CO)CCC2)n1 2255607885 FAKAMGIBZFRXEH-UHFFFAOYSA-N 426.326 1.672 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255622706 DBTPZONRNKUJPV-CQSZACIVSA-N 434.346 1.849 30 10 IDEE C=CC1(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2255651092 GWLCEXSJGPYBJD-UHFFFAOYSA-N 432.330 1.625 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2255857669 KAHIFFFLRVDQPZ-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256741553 KXAUWXVATHODMJ-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256911773 HEKLJCOSSRHOCY-QGZVFWFLSA-N 428.294 1.894 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2258280982 IFBHWFKGQFDRRA-UHFFFAOYSA-N 441.309 1.180 30 10 IDEE COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2261073183 XMVYNENXCKVVPW-HNNXBMFYSA-N 438.330 1.974 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)n1 2267113580 VYQOFDUZOPNDTQ-BXWNDJAQSA-N 447.345 1.290 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267120596 MTGFCDIQIIIVHN-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267139297 DPQIVSYJBGAPQE-QHCPKHFHSA-N 440.353 1.418 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267176529 AWLIMJCXTMEXLP-GASCZTMLSA-N 446.357 1.943 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267521704 SZCFKIYOMXOPEK-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267725875 GKCYBKMLYPVVBE-NVXWUHKLSA-N 448.325 1.401 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2272636687 NQDMNBJPIYTJFG-RCDICMHDSA-N 446.357 1.706 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2272637297 UJMCDBAWBWRDSU-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)ccc1OC 2330796598 LYRIYNDEPYRZKY-UHFFFAOYSA-N 435.506 1.859 30 10 IDEE CC1(C)OB(c2ccc(CN3C[C@@H]4CS(=O)(=O)[C@H]4C3)cc2Br)OC1(C)C 2377421348 AVUDFSOGXOYEGI-CJNGLKHVSA-N 442.184 1.977 30 10 IDEE O=C(O)CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 11907329 JYZYYGUCDGBFJQ-ZSGLKTKSSA-N 440.499 1.314 30 10 IDEE N#Cc1cccc(CN2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)c1 257179165 IABXIEXXTMHXJZ-UHFFFAOYSA-N 426.542 1.961 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N[C@H]1CCCc2ccccc21 429887677 IWRJACHSFPIRMO-KRWDZBQOSA-N 438.513 1.889 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCCO2)c1=O 440386518 SQMHSEMUFSHQKB-MRXNPFEDSA-N 427.526 1.552 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1 467600211 IEDRBLOVXLYRFH-UHFFFAOYSA-N 436.516 1.949 30 10 IDEE Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 478834369 DNEAHSLTULGLCG-CYBMUJFWSA-N 426.523 1.193 30 10 IDEE COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cc(C)c3=O)CC2)cc1 489112323 XYWOPRPCTLOZQE-IBGZPJMESA-N 425.445 1.483 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)ccc1Cl 504059800 MSAHTVBOCSEONZ-MRXNPFEDSA-N 443.956 1.832 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508720803 ZNKOIMCEQAJZBA-UHFFFAOYSA-N 441.492 1.020 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1F 519667038 YXRVROXNTAYKOG-LBPRGKRZSA-N 434.424 1.153 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1-c1ccccc1C#N 547947547 QFBIPAQBONCRQB-UHFFFAOYSA-N 438.871 1.812 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(C)C)CC1 555347541 HHHLNOHHWNKYSR-UHFFFAOYSA-N 427.509 1.934 30 10 IDEE C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1ccnc1 561701992 FWBPZWYTESNKDD-LSTHTHJFSA-N 434.500 1.476 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 603789712 AUGJFDSFKAABJM-UHFFFAOYSA-N 439.924 1.818 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 728531498 LBQZDWUEVIEXGF-INIZCTEOSA-N 437.466 1.210 30 10 IDEE C#CCN(C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 729331428 NCQCINWGIZZBBH-KRWDZBQOSA-N 432.571 1.934 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730139438 BKJHUHSKCGMJMQ-IBGZPJMESA-N 447.605 1.829 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730140183 DNAPRTLNDRTATF-SFHVURJKSA-N 433.578 1.439 30 10 IDEE C#CCN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 731213535 FZQJLQAJELJJGP-GFCCVEGCSA-N 433.843 1.957 30 10 IDEE N#C[C@@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1nnc2n1CCCCC2 732496457 WABXFNDOJQNKJV-PXNSSMCTSA-N 432.484 1.656 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)N(C)c3ccccc3)sc(=Cc3ccoc3)c2=O)CC1 732796876 KQMJFNGNAPFFNT-UHFFFAOYSA-N 448.548 1.936 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 744779594 UGBBARQNDGLZMA-QWHCGFSZSA-N 429.520 1.235 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc2c(c1)OCO2 767891377 PFQPMLDTIJMGRV-UHFFFAOYSA-N 437.502 1.956 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 769612800 GDFPAINHBTYTGV-IWHJNQCMSA-N 425.407 1.889 30 10 IDEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)N(C)CC)c1 774282524 VURHNXJLHIUFPR-SFHVURJKSA-N 447.605 1.727 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 775544035 CMQMNKPWFIYYIS-HIFRSBDPSA-N 431.522 1.059 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1 789323923 CZIFBJDVQHBLEY-UHFFFAOYSA-N 429.546 1.643 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(NC(=O)c2ccccc2C)CC1)c1cc[nH]n1 789956303 FXGGTAGTCLKHOI-UHFFFAOYSA-N 441.488 1.423 30 10 IDEE N#Cc1ccnc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 803847396 CZQBOTXPLUICGG-UHFFFAOYSA-N 442.497 1.601 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 804961642 FAHKEIYNZQCVNE-LLVKDONJSA-N 447.478 1.344 30 10 IDEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1140573548 MMXKVLDBMZPMMM-CRAIPNDOSA-N 439.578 1.560 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C(=O)OC)Oc3cc(F)ccc32)cc1 1144510563 KZYCHWBLCZDFTB-GOSISDBHSA-N 434.445 1.871 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3cc(C#N)cs3)CC2)cc1 1157478840 ZWRJPCPUTWZDJB-UHFFFAOYSA-N 432.571 1.893 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)cc1 1166428550 QSYVJNKKZPTSHH-UHFFFAOYSA-N 438.527 1.827 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@@H]3CSCCN3Cc3ccccc3)C2)c(=O)nc1O 1226163451 JFXRAMIJXJHPGO-QGZVFWFLSA-N 440.529 1.004 30 10 IDEE CC[C@@H](Sc1nc(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1)C(N)=O 1274416527 AZNYLSDDLVLCGT-LSDHHAIUSA-N 431.543 1.988 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1286295376 IQOPFBADNOXDFU-ABSDTBQOSA-N 441.598 1.256 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 1286487316 ULWONDAGTMCQQH-UHFFFAOYSA-N 432.532 1.996 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)CCS(C)(=O)=O 1286499290 KGVYNEYDGOGGLY-UHFFFAOYSA-N 436.559 1.911 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1286772318 AYZLBRFVIIZRBM-GOSISDBHSA-N 440.504 1.873 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1286785964 KZEHWZLFZGMZPJ-INIZCTEOSA-N 442.520 1.493 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286818105 BSVLRHFIPFJDRZ-UHFFFAOYSA-N 432.550 1.246 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 1286889831 MWGFTJDXPVZKKS-QZTJIDSGSA-N 437.548 1.594 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1286965584 LRUNLXMREVGADB-CQSZACIVSA-N 435.488 1.943 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1288524246 ANNAEMZVILPLEY-KURKYZTESA-N 438.598 1.155 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)c1 1289512378 BIMYCSLXTJAXRH-KRWDZBQOSA-N 433.534 1.637 30 10 IDEE Cc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1290193746 BXMOVGNVZPDRHS-SJLPKXTDSA-N 432.550 1.706 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1290860510 BYOHPMGGMOPUOX-UKRRQHHQSA-N 438.937 1.352 30 10 IDEE CN(CC1CCC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1298519946 JXIAYBRMGFKIBY-FMQUCBEESA-N 427.509 1.163 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3CCOC)s1 1298631983 ROJJDFAKJHURIB-SJPCQFCGSA-N 441.619 1.855 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1300300634 ISANRWQGGDOQPW-HNNXBMFYSA-N 430.482 1.763 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1=O 1300398566 GRAVIHUEFAERFD-WZONZLPQSA-N 436.468 1.526 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300481916 CQPFMFCKEHXEQW-AWEZNQCLSA-N 432.531 1.681 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)OC 1300657846 SOVDGTCWAIRMAV-HNNXBMFYSA-N 434.566 1.668 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)CC1 1300862689 CFNVBQKKHMARJU-UXHICEINSA-N 446.596 1.654 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300983978 UHLWDIAZRTUFEB-QGZVFWFLSA-N 442.568 1.060 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1301135823 UHOQRWQOUFGEJP-ULQDDVLXSA-N 432.525 1.393 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301578522 CSLLSGZTBZUKEF-KRWDZBQOSA-N 441.561 1.977 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1301920716 NEJZVBWDKZNTOF-UHFFFAOYSA-N 445.531 1.768 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1303654962 ZQNCEEVSDVBVDK-NIVDNSEKSA-N 443.533 1.157 30 10 IDEE COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1S(=O)(=O)N(C)C 1303899078 LVHDDVBGUGHXIQ-QGZVFWFLSA-N 443.529 1.929 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NC3CCN(CC#N)CC3)nn2)CC1 1306540190 PXLPPVRCVWWYRE-QGZVFWFLSA-N 431.541 1.958 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1314533990 GLTLJXAJGJSGSF-UHFFFAOYSA-N 431.566 1.604 30 10 IDEE CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1314658682 FOSAGRULIGCBLI-HXUWFJFHSA-N 444.499 1.967 30 10 IDEE COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1315949620 CRPLFLNBKDGQEJ-LPHOPBHVSA-N 425.493 1.893 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(C)(=O)=O 1316103228 FAEPKXWEDKLVKZ-HZPDHXFCSA-N 427.571 1.608 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1316239387 RJFYTPNLFBJINF-LJQANCHMSA-N 427.505 1.600 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1316539768 GJMKISDXVSELGM-QGZVFWFLSA-N 434.566 1.611 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1359030185 PYGCPUZVDOGLHZ-MBSDFSHPSA-N 442.539 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1359044645 LCZLGINKERFGQK-UXHICEINSA-N 428.581 1.478 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359089939 RZDIWXLTXSFNGL-NTDBWNAOSA-N 430.553 1.455 30 10 IDEE C=CCn1c(COc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359289943 WPEVHFCCUZUCGY-SFHVURJKSA-N 428.468 1.949 30 10 IDEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1359344463 YKOYIDCIBBYBDP-GOSISDBHSA-N 431.562 1.748 30 10 IDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br)C(=O)OC 1451183725 WEXYQQYYEFJITE-HNNXBMFYSA-N 445.335 1.774 30 10 IDEE COC(=O)c1cccc(N2CC(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C2=O)c1 1458995333 GCQANIHGAHOUSY-UHFFFAOYSA-N 431.404 1.541 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3cc(OC)cc(OC)c3S2(=O)=O)c1 1459071212 GWRMXOLFJGMUJV-UHFFFAOYSA-N 443.437 1.178 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(I)s1 1462879613 YTZSQZALWZDXQX-SECBINFHSA-N 445.325 1.164 30 10 IDEE NC(=O)C1=NO[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1470135694 JQWNZTOZCQCMNH-QYNIQEEDSA-N 438.275 1.429 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 1470156354 SAPYNQHUMQUEDY-MRXNPFEDSA-N 448.932 1.400 30 10 IDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1471237382 SHOPCKHIEBOZGS-MRXNPFEDSA-N 435.506 1.053 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CC(c4cc(C(=O)OC)n[nH]4)C3)ccc2c1=O 1472630644 GCLWYIGPOCCMEB-UHFFFAOYSA-N 425.470 1.621 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)cn1 1475477439 YSOFHAJTWVWGFW-UHFFFAOYSA-N 443.279 1.983 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNC(=O)OC(C)(C)C 1492912526 ZMHQPOACAKRNPP-HNNXBMFYSA-N 441.540 1.878 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)F 1507520963 IPNPJELZTCWBGA-GFCCVEGCSA-N 437.447 1.810 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1507686629 DTUXTEDQEQBGRJ-UHFFFAOYSA-N 433.534 1.823 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ncccc2N(C)C)CC1 1507736162 GJIPNRILDKYAHQ-UHFFFAOYSA-N 446.559 1.759 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507847187 HTSXNPJOGWNCEO-INIZCTEOSA-N 431.497 1.263 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1508091169 LXBUFDOWRYFDNJ-KRWDZBQOSA-N 426.521 1.776 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc4c(c3)OCO4)nnc2N(C)C[C@@H](C)C#N)CC1 1508278219 GBGGNTQMIZUEQE-INIZCTEOSA-N 439.520 1.434 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1514221641 WLQBTXHDWNEUEE-MRXNPFEDSA-N 439.520 1.912 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1515056441 FDULODJKHZHTEZ-KRWDZBQOSA-N 430.534 1.356 30 10 IDEE CNS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1517632724 JJHQXFWFUZPBOH-IBGZPJMESA-N 432.525 1.739 30 10 IDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1524435415 GUWVQFWFNJWZQC-KRWDZBQOSA-N 435.546 1.675 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C(=O)C1 1536664886 NRYJOBAKJYLJQG-SFHVURJKSA-N 428.489 1.537 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1539012788 GIPWNGMHZFQDOC-YESZJQIVSA-N 432.550 1.039 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1539149736 ZSPVURXBPYJFNA-KRWDZBQOSA-N 428.512 1.791 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1539154806 NQDBFEQYRPONDS-UWJYYQICSA-N 430.530 1.756 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)c1ccco1 1539167657 HTQLCSADXGGWCZ-HXUWFJFHSA-N 428.518 1.808 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OCC)C(C)C 1539178846 KQWYQHBTRGVUPQ-IAGOWNOFSA-N 427.571 1.132 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1539249949 GOFPXPDNPCUMRI-CZIZESTLSA-N 435.875 1.593 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1539346802 KHVXZGUIFOQNBB-UHFFFAOYSA-N 429.344 1.055 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539514306 PLJQAOVJVMJJAQ-UZLBHIALSA-N 429.550 1.081 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540866217 HFTTUJVQZMBOOA-CABCVRRESA-N 435.550 1.514 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540867669 DAGMTAOWLQQUKU-UHFFFAOYSA-N 433.447 1.921 30 10 IDEE CC(C)Cc1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1541436412 UEWOBLPVKWVQGX-ZEVGMECHSA-N 441.536 1.250 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)c1 1544463699 BCCZAMLZGXBBAR-IBGZPJMESA-N 440.521 1.893 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1547795718 MSEYOVLZBFRDCP-QFIPXVFZSA-N 440.504 1.901 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1547891386 BUNAIFYCHWBIJC-UXHICEINSA-N 432.456 1.282 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1552718852 PAHWDJIXBYPWMD-SFHVURJKSA-N 438.536 1.244 30 10 IDEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)NC(C)(C)C)cn1 1554331203 HETOWQWSIVPDDL-UHFFFAOYSA-N 449.519 1.518 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CC(O)(CC#N)C3)c2C(F)F)C1 1556250188 JOVIWWWLWKSTKU-NSHDSACASA-N 426.424 1.498 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 1559975979 DWFNMDFEPHTSEH-IBGZPJMESA-N 429.561 1.800 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1570505416 DLGOTPGHPJIOJC-JZAWBGDQSA-N 428.551 1.364 30 10 IDEE COC(=O)c1sc(I)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 1586053992 VFTVYIANMMTAJU-ZCFIWIBFSA-N 431.215 1.802 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1588074822 SQNJBJRMXUWHKU-SJLPKXTDSA-N 430.534 1.097 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1589110231 RGEFBJUUGTUFGI-UTKZUKDTSA-N 433.578 1.541 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1589163638 MCWBALSUWFKGAF-FGZHOGPDSA-N 431.537 1.170 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1589481615 BANQYVPUVNDYJO-AABGKKOBSA-N 444.580 1.800 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1594942959 IGYBQEGLUYKUKO-UHFFFAOYSA-N 428.518 1.391 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1595021124 UQQSDBUGDZDJRK-DZGCQCFKSA-N 431.584 1.010 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 1595550642 GGZAMMSIZCVDDS-MRXNPFEDSA-N 433.534 1.127 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1595562175 PNOUTVWBRDQXTJ-MRXNPFEDSA-N 435.532 1.709 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](Cn2cccn2)C1 1595773236 VIWOVHUTJFUGQU-KRWDZBQOSA-N 446.533 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1595812053 LQWNSHKEYZFGHD-RTBURBONSA-N 431.562 1.870 30 10 IDEE CC(C)(C)c1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)on1 1597174581 CLSNSBVPPMLQEV-ORAYPTAESA-N 436.513 1.956 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCc4ccccc4NC3=O)C2=O)cc1 1611419640 SEHHOQDXSWCXBV-RBUKOAKNSA-N 431.452 1.833 30 10 IDEE CN(CCNC(=O)C1CCN(Cc2cc(O)n3ncc(C#N)c3n2)CC1)Cc1ccccc1 1615712439 DVPSNYBVFPOFOZ-UHFFFAOYSA-N 447.543 1.767 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1616197043 VBANLKXPOPFABD-YCRPNKLZSA-N 445.524 1.048 30 10 IDEE CS(=O)(=O)C1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCCC1 1617879384 OLXGKDXPOOTEAH-QGZVFWFLSA-N 446.529 1.627 30 10 IDEE C[C@@]1(C2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)NC(=O)NC1=O 1618696820 VABANFPRJSOFLN-SFHVURJKSA-N 435.278 1.536 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1619695097 SZVJFXIWKKSWRS-WMZOPIPTSA-N 437.504 1.668 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1620094898 JNQZBHQYZZPXSI-OALUTQOASA-N 426.521 1.798 30 10 IDEE CNC(=O)NC[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1620498174 HESXSTOAZXFZLD-PMACEKPBSA-N 430.528 1.318 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cc(CC#N)ccn3)CS(=O)(=O)[C@@H]2C1 1631054779 IZCLSUOEZNHHCM-BZUAXINKSA-N 434.518 1.756 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1634554686 GMCXVDKJMDZGAM-GOSISDBHSA-N 447.557 1.088 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(-c4nncnn4)cc3)C2=O)cc1 1634919250 WIGQLLXWKONWSX-LJQANCHMSA-N 428.456 1.406 30 10 IDEE C#CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cn1 1635750051 XAPJDEZFNLYAQW-MRXNPFEDSA-N 431.474 1.142 30 10 IDEE C#CC[C@H](NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)C(=O)OC 1638832964 YPQGGUIYHGKYBK-RYUDHWBXSA-N 441.435 1.692 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CN=[S@](C)(=O)N(C)C)CC3)cc2C1=O 1640408121 FCYWWYDKQIJJRY-PMERELPUSA-N 432.546 1.895 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccnc2N2CCC(O)CC2)s1 1642603830 ACLRIDKVBYIOST-UHFFFAOYSA-N 436.559 1.750 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 1645152066 PFQJONMGXIWHAZ-INIZCTEOSA-N 429.498 1.695 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)ccc1C 1647980632 GJSHVPWHTOWEGO-OAQYLSRUSA-N 427.530 1.794 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1664414822 SCRORAIYCXOBCS-UHFFFAOYSA-N 427.592 1.234 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)n1 1681306095 LSXOMFOQUBYEOL-UHFFFAOYSA-N 440.504 1.135 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1682433062 LDJQKUKDPPPGNH-CVEARBPZSA-N 425.507 1.063 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(S(C)(=O)=O)cc1 1689848459 VVSNTWHJHSSPQG-CQSZACIVSA-N 441.513 1.916 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689888107 AUZIRWWAEWMLAY-IBGZPJMESA-N 430.553 1.550 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1689931637 DKCMVZFHYYGTMA-HNNXBMFYSA-N 427.596 1.356 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689989458 FSYHDUXUXVGXSU-WWMYMODYSA-N 448.545 1.300 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1689992838 PLNOKWOATAWBPL-WMZOPIPTSA-N 431.587 1.644 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689993119 VYTBTCONURGCIH-GOSISDBHSA-N 429.546 1.196 30 10 IDEE C#CCSCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1690186003 JRVXWIGPJIRMBY-LAUBAEHRSA-N 433.578 1.498 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCCOC)CC1 1690218334 CNFOZMTZGNTYQV-UHFFFAOYSA-N 430.347 1.957 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690288145 KDFYLWCNJMBHMU-DLBZAZTESA-N 439.582 1.319 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1690365970 MGTROMPBLWTOOA-HXUWFJFHSA-N 441.598 1.758 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCOC)CC1 1690411949 YQXVSVMGIDTVIU-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690481972 VDOJMDNJTPJDJL-MRXNPFEDSA-N 442.524 1.253 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690506081 BWMGYWNGOHQMFP-IBGZPJMESA-N 427.553 1.609 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1690622635 UJVRDIAWHIYANK-KRWDZBQOSA-N 439.582 1.222 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 1690671392 VFBSXVBLCHWUHC-AWEZNQCLSA-N 449.499 1.651 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC(C)(C)C2)C1 1690688714 ZOTZECZYFWTPEY-CVDCTZTESA-N 449.596 1.822 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1692845487 GJDHUSQZNTWVBH-BDIWWCJBSA-N 446.515 1.920 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(C)C1 1696505409 NCGRIGUTUXGUCA-UHFFFAOYSA-N 430.534 1.824 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705476335 XMWHBJPYOPVICY-MRXNPFEDSA-N 445.545 1.455 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1705562058 XKUHNCJFDSBRTR-NQIIRXRSSA-N 436.578 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1705594095 QANCRMVVILGQBP-UHFFFAOYSA-N 435.484 1.038 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1705602269 ORIHJCSDOICJNU-SFHVURJKSA-N 438.536 1.990 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1705632929 FKBQKRLBZBWDGM-UGKGYDQZSA-N 432.638 1.755 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(C)COCCO2)CC1 1705634355 SHRIHILUWUYUBO-QHCPKHFHSA-N 441.532 1.523 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)CCCOC)CC1 1705643387 DLMCGQUBWBHTHJ-NHCUHLMSSA-N 446.640 1.920 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1705834155 FHYFPJLOHGPHJV-KBPBESRZSA-N 435.550 1.891 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1705881582 UGVVIFLVSPUZPX-QHCPKHFHSA-N 442.564 1.853 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1705883771 UTXUOGFJHQUICW-UHFFFAOYSA-N 446.552 1.755 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1705932408 SVFKDXBQYISCKG-QGZVFWFLSA-N 443.533 1.332 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705934482 NUSUMDPTEPKKEW-UHFFFAOYSA-N 435.594 1.985 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1706746571 CBSSCKUGGCFMSQ-OAGGEKHMSA-N 442.611 1.635 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708152586 GFTZNMYNWZDDMV-DRSNIGMVSA-N 440.552 1.566 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1708248930 IXLIGCNSNKRSAP-QFBILLFUSA-N 443.577 1.429 30 10 IDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCOC1)S(C)(=O)=O 1710140494 BIIDYXUZYGLACV-GOSISDBHSA-N 446.577 1.961 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)no2)c1 1722305480 HXIFIJSWDNAYGQ-UHFFFAOYSA-N 447.499 1.915 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCN(CC)CC1 1722345849 KFDCOMWELWCXHU-UHFFFAOYSA-N 444.605 1.446 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722363764 BUSKNIIXGYNFHS-KRWDZBQOSA-N 434.537 1.796 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722368348 QFXIXGZNXYVFTG-QRVBRYPASA-N 435.594 1.631 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1722383348 HDTLDJQXUSWBAS-UGKGYDQZSA-N 435.528 1.710 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCC(C)CC2)CC1 1722441988 VPHVMEYKQMBYLB-FQEVSTJZSA-N 427.597 1.276 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@@H]1CC 1722500419 QSWLBCAYTLLMHH-VMXHOPILSA-N 433.553 1.698 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1722500570 JOYHSHVVJQUEGX-HZPDHXFCSA-N 427.571 1.834 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C)nc2)CC1 1722581551 JDSLSJDAEVIAAG-LJQANCHMSA-N 446.577 1.765 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722693230 HMKFLTKGPJUXQY-CYBMUJFWSA-N 448.325 1.149 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(C)C)CC1 1722694679 DPXJBHDNWVDVIQ-UHFFFAOYSA-N 426.521 1.897 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1722698627 IWVXVHWJGFSVTE-CYBMUJFWSA-N 438.941 1.167 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722702414 JORYZBOPDJYHCV-PNBKFKSVSA-N 433.509 1.613 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCOCC(F)F)CC2)c1C#N 1725868753 QVDRAMIARQAJRF-UHFFFAOYSA-N 434.495 1.753 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1729926834 BBWMQVHJPBKGMU-HXUWFJFHSA-N 433.534 1.779 30 10 IDEE COCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730707154 RMUHMTLWJYLOAP-QGZVFWFLSA-N 433.520 1.677 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1740575522 TUUKFMJBSROBIA-KRWDZBQOSA-N 434.566 1.545 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCn2cc(Br)cn2)CC1 1740705569 JBXKQPTWZJMOLJ-UHFFFAOYSA-N 448.369 1.856 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740709368 FTYFSKSUDANYPX-HNNXBMFYSA-N 447.565 1.867 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@]1(OCC)CCOC1 1740766545 IOQOZKXXHZHWNX-QLDGJZPUSA-N 435.569 1.730 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1740926061 QPLZWZACMVBSAI-HZPDHXFCSA-N 425.555 1.610 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncccc2N(C)C)C1 1740972641 KTMWLXDSZIMESA-HZPDHXFCSA-N 449.581 1.179 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740985144 CKHYZNZKGKAZAV-UHFFFAOYSA-N 437.570 1.406 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748805914 YJHXQEMLJAKCPV-OALUTQOASA-N 437.610 1.531 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748819756 SXWANGBFKUXURR-VQTJNVASSA-N 442.589 1.231 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1748830295 TZMBOIJPLGQAEV-ZJSXRUAMSA-N 442.608 1.418 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1748983723 AFZCLHIXEKDXMR-IBGZPJMESA-N 447.518 1.579 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC)CC1 1749027452 ZNJUWTMDXNGWTG-UHFFFAOYSA-N 442.545 1.544 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1749470700 BCBVQKKNROOPNX-LJQANCHMSA-N 437.591 1.686 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(C)n1 1749586408 UFCCVWBPRKFSMN-UHFFFAOYSA-N 433.476 1.930 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCOC2)C1 1750206236 AHBOTTFGVXVOJO-NRFANRHFSA-N 445.545 1.495 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1751090445 DIDZSMZZRIGCCS-CQSZACIVSA-N 447.496 1.930 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760151718 LVVOFTQBSAPUOU-UHFFFAOYSA-N 425.522 1.799 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)CC1 1760152648 TVCVYDTXLBQRDA-UHFFFAOYSA-N 445.549 1.540 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NCC)c1 1760221741 ILQQZRXCVMQFHH-UHFFFAOYSA-N 432.528 1.661 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N1CCOCC1 1760247188 RQJLUTKRUANSJT-UHFFFAOYSA-N 425.533 1.842 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760285319 BVQKZENWTJFSHR-IAGOWNOFSA-N 441.557 1.947 30 10 IDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)COC)CC1)c1ccccc1 1760360530 FORSQVUKNCHKGA-UHFFFAOYSA-N 440.548 1.861 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760452174 GRLFJWMZKQZVBC-FQEVSTJZSA-N 440.548 1.684 30 10 IDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760506441 SFZAFSAVLTWMOG-MRXNPFEDSA-N 448.568 1.128 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1760516377 LXZBMBAEFDWGNI-HOTGVXAUSA-N 438.540 1.247 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760552048 AEJJVLIHRVCQJB-MAUKXSAKSA-N 447.536 1.742 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)CCOC1 1761273385 BFFSBBHPXSMJGH-LPHOPBHVSA-N 440.570 1.093 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1766651787 ORLMTFKZFOTYOC-KKSFZXQISA-N 447.561 1.882 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1770344529 WZRZWRWKQQIWEB-UHFFFAOYSA-N 432.550 1.995 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCCOCC(F)F)cc1 1770740789 NOIRUXLHXQEJPA-CALCHBBNSA-N 435.431 1.962 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC2=CCCOC2)cc1 1770741001 RHRYYYCGGHUYMH-UHFFFAOYSA-N 429.502 1.310 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@]4(C3)C(=O)N(C)C(=O)N4C)n[nH]2)c1C 1849293387 TYKHJJUWLQODKS-NRFANRHFSA-N 425.493 1.575 30 10 IDEE CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C1CN(c2nccnc2C#N)C1 1849512763 JALNMIMQVQZREV-MRXNPFEDSA-N 440.529 1.096 30 10 IDEE COCc1nc(N2CCOCC2)ncc1C(=O)N(Cc1ccc(C#N)cc1)c1cnccn1 1851847499 BNIWXVPDTUIZJL-UHFFFAOYSA-N 445.483 1.968 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cn(C[C@@H]3CCOC3)nn2)cc1 1852302331 AABXSNAGZRUINC-AZUAARDMSA-N 441.488 1.123 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1854286313 GDXDNJTWBKCRLX-RBUKOAKNSA-N 432.546 1.593 30 10 IDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)OC1=O 1855061518 LOFHSWPFEGXJDD-INIZCTEOSA-N 427.429 1.768 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1C[C@H]1CCCO1 1870543901 WUEMCDXSPAOEAZ-NHCUHLMSSA-N 445.560 1.875 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870570406 BWIPPXMCZDHHFG-KBPBESRZSA-N 433.534 1.821 30 10 IDEE C=CCN=c1nc(Nc2ccc(N3CCCCC3)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871608063 PJLUGDOAMFAGRZ-UHFFFAOYSA-N 438.580 1.740 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCc3ccc(F)cc3)ncnc21 1875227823 NHFVSBWMNBVOSI-UHFFFAOYSA-N 427.480 1.838 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)C3CCN(C(=O)OC)CC3)CC2)CC1 1891137583 OLBWCRYHSLCMHH-UHFFFAOYSA-N 434.581 1.113 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 2054376673 KBUHEAVVRINWOO-YFKTTZPYSA-N 431.274 1.956 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2213510020 XKFPNSVIPXSUFH-JJXSEGSLSA-N 443.541 1.303 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(Cl)c(C#CCCO)n1 2232368850 GWVLSKGRQZIRCT-UHFFFAOYSA-N 433.873 1.507 30 10 IDEE Cn1nc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2255624302 DBLXTSZQHVNXJH-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CCc1nn(C)c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255629198 SDIVWHWKXOFKAX-ZDUSSCGKSA-N 436.362 1.925 30 10 IDEE Cn1cc(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822951 QTCMQCRFMWQSTD-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(F)(F)F 2255826559 QMVSFMKLGOMRAR-NSHDSACASA-N 448.251 1.894 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2256058891 JWJIZVSGNKPCAV-AWEZNQCLSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256732319 AOBHWGHDKADXPI-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE C[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267117330 DLFSFSZYHCRWHB-KRWDZBQOSA-N 439.369 1.851 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267147850 UMNWTSHKTYEVDI-KBPBESRZSA-N 446.357 1.623 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCCc2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2268719433 DSPWJCMJSWEVBR-UHFFFAOYSA-N 446.353 1.938 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1C 2315525741 XFLNHHFTSVOYSA-KBPBESRZSA-N 434.346 1.813 30 10 IDEE CO[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2364183143 BHUQBWUWHPGPOG-GOSISDBHSA-N 437.518 1.724 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 24621763 AUVNQBPGPBYWQZ-AWEZNQCLSA-N 441.454 1.662 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 110021035 FDAJXTSYUNVCBC-MSOLQXFVSA-N 437.566 1.385 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 327144266 SWTCWZSOIWQRCZ-VIFPVBQESA-N 426.299 1.503 30 10 IDEE CCN(C1CCN(c2cc(C)nc(C(C)C)n2)CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 410120835 MPSAXAPJDMTCKN-GOSISDBHSA-N 436.582 1.668 30 10 IDEE C[C@@H]1CCN(c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccn2)C1 437415517 WJLUSAPRGXIXJU-QGZVFWFLSA-N 439.541 1.946 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)CC1 468271041 SWAYQMXMAAXHPG-UHFFFAOYSA-N 442.907 1.442 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)C1=O 479115138 LJADIFBWMJZLQN-CYBMUJFWSA-N 427.335 1.170 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 484567719 HXGBPQUCQCYSRM-UHFFFAOYSA-N 433.558 1.977 30 10 IDEE COc1cc([C@H](C#N)NC(=O)c2ccnc(N3CCN(C)CC3)c2)cc(OC)c1OC 487701713 JJPKQPJUVWCLHO-KRWDZBQOSA-N 425.489 1.854 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cnc(N3CCOCC3)s2)CC1 506789718 WHDPSVYQFYPXSD-UHFFFAOYSA-N 433.559 1.358 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(C2CC2)C(=O)C1 508815554 BULKBYZNIYATCH-UHFFFAOYSA-N 449.559 1.233 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 508854992 FPZNITCLEFZUAW-ZDUSSCGKSA-N 434.478 1.484 30 10 IDEE C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 510312646 AQPKYCJJSSBZGE-JPLJXNOCSA-N 430.574 1.805 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)c1 517892560 YKHVEKCTRQMJDU-UHFFFAOYSA-N 435.527 1.262 30 10 IDEE C[C@@H]1C[C@@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1C 532590310 PSQGMLWTJZYEES-SJORKVTESA-N 426.521 1.869 30 10 IDEE COc1cccc(C[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)n2nnnc2C)c1 545462070 COOYYAAYHXWJHQ-HXUWFJFHSA-N 432.488 1.389 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)n1 545506694 WBRJXIQAHQTBAO-UHFFFAOYSA-N 432.528 1.496 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccccc1C#N 604002950 NIXFXCSFGAUJIR-UHFFFAOYSA-N 449.561 1.955 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cccnc2OC)C1=O 726399868 GDHNLLQKNHFYRO-HNNXBMFYSA-N 427.486 1.457 30 10 IDEE COc1cc(OC)cc(N2C[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)c1 752184572 KMDOPTNBRUSOJT-HNNXBMFYSA-N 443.481 1.742 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2)CC1 760371565 OHDOFWUSXJHOFB-UHFFFAOYSA-N 428.514 1.706 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)cc2OC)cc1 771525358 NBPDBZNIYMFBSD-IBGZPJMESA-N 446.481 1.259 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C)[C@H]1CCS(=O)(=O)C1 774043355 MHYPQCWGPDPBFB-HNNXBMFYSA-N 441.575 1.726 30 10 IDEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)ccc1OC 774764831 FZTYBYRNGRGKOF-OAHLLOKOSA-N 434.518 1.895 30 10 IDEE N#CCOc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 780831119 JMXGEMLUIZYSNB-UHFFFAOYSA-N 426.498 1.875 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 787543735 GRXLKHJCNMXKSD-GOEBONIOSA-N 439.472 1.352 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)n1 789324290 ICAVRJFITUYFNS-UHFFFAOYSA-N 443.592 1.652 30 10 IDEE Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 794482893 SWIPEOVKBOTDFH-RIYZIHGNSA-N 446.558 1.118 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C 803567592 RWFUKXQRWNNOHA-QILLFSRXSA-N 439.578 1.414 30 10 IDEE C#CC[C@@]1(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 809644948 ZLDLCMDGRHHWHD-QFIPXVFZSA-N 428.489 1.633 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812526934 VBPARBXARYFHEL-LJQANCHMSA-N 438.502 1.499 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 812935152 XYFZTTLQXAHACB-JTDSTZFVSA-N 438.525 1.181 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 815476554 BKPZTHKAMQAGBQ-HNNXBMFYSA-N 428.411 1.602 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 916185477 VVDFCFVQMYAQGW-ZDUSSCGKSA-N 427.438 1.068 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(Cc2ccccc2C#N)CC1 917138151 ZONLQQCQFGAKRQ-UHFFFAOYSA-N 433.555 1.777 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)s3)c2)CC1 1129861822 TWVWLHJQPJQUSF-UHFFFAOYSA-N 432.527 1.403 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1131309526 PLQAHDJNMFIGLG-FQEVSTJZSA-N 432.502 1.531 30 10 IDEE C#CCCOc1ccc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1137922334 RHPXJEWEZJVBPA-UHFFFAOYSA-N 442.493 1.663 30 10 IDEE C#CCN1CCCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1147283909 XXGSDWJAUGZKGX-UHFFFAOYSA-N 432.318 1.993 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1153262804 QROQXWJJNYPLNV-ICSRJNTNSA-N 434.558 1.311 30 10 IDEE CC1(C)C[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1157725960 RVBXTYATLLNGPB-HOCLYGCPSA-N 432.502 1.235 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](O)CC(C)(C)C3)nnc12 1161735744 DKKBBEWBYHHBSR-CQSZACIVSA-N 427.530 1.942 30 10 IDEE CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1162686470 HTJJFEATUAIBOU-LJQANCHMSA-N 429.473 1.826 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)CC1 1175515027 OPIIEFCXFGWEBY-IBGZPJMESA-N 441.553 1.657 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)CC1 1213514527 CTQJJHDOZCVFNO-UHFFFAOYSA-N 434.283 1.914 30 10 IDEE C#CCN(C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1)[C@H]1CCS(=O)(=O)C1 1218885469 YVILZMHEYXPVGM-INIZCTEOSA-N 442.497 1.888 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286322461 FDFLAFVPRPUMFD-WAOWUJCRSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1286392163 AYFPZLVRYXUPND-SJORKVTESA-N 430.530 1.618 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1286431192 MPVROIRLUGKJBY-NRFANRHFSA-N 449.559 1.721 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1286466935 MDRIFDFLGBWQFR-GOSISDBHSA-N 432.546 1.514 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)Nc3ccccn3)n2[C@H]2C[C@@H]2C)n1 1286469650 KXNGQPBUUDBIKX-WMZOPIPTSA-N 434.504 1.989 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@@H](C)OC)CC1 1286480469 XWMBRNKFGQRZKZ-GOSISDBHSA-N 449.559 1.855 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1286628780 GGQBETZVUIMYMI-CABCVRRESA-N 433.962 1.226 30 10 IDEE C=CCNC(=O)Cn1c(C)nnc1N(CCO)Cc1cc(Br)ccc1F 1286778627 CJCJJMFMNLJUJW-UHFFFAOYSA-N 426.290 1.789 30 10 IDEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1288380015 HAQXNMOLWGQVDV-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1291146100 WUYRYSWTMJSOLO-YUMLTWSLSA-N 441.536 1.523 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H](C)C1 1300654617 BBLIFMRQEJJMHC-ROUUACIJSA-N 436.520 1.822 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCN(CC)CC1 1300665127 IPIPBVNTYLIKSJ-HXUWFJFHSA-N 435.576 1.929 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CC)CCS(C)(=O)=O 1300892176 QCNBRULRCLEYLI-APWZRJJASA-N 439.582 1.253 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301481389 LGAPGUPLXGPPPA-CABCVRRESA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301502346 GCMKHJZWGGGOGK-IVZQSRNASA-N 447.486 1.834 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 1302740641 LHKAQEWJBQYKMJ-SNRMKQJTSA-N 441.509 1.863 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncccc2N(C)C)CCOC1 1303504156 FXBQVPRANKHVNI-JTSKRJEESA-N 441.536 1.557 30 10 IDEE CCN1CCN(C2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)CC1 1304054112 FIJIYTZLEIVTHN-UHFFFAOYSA-N 432.366 1.605 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3C[C@H](C)N(C)C)CC2)c1C#N 1304730824 DVLNBBXZGVNYEX-MAUKXSAKSA-N 427.557 1.320 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)s1 1305341722 JBNRRVSBTOCDTO-HXUWFJFHSA-N 448.570 1.672 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1OC)C(=O)OC 1309442323 CYOUCMICSYGRGX-LLVKDONJSA-N 426.260 1.619 30 10 IDEE Cn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCCO)c2ccccc2c1=O 1314930759 KIKNTSXFWAHNJR-UHFFFAOYSA-N 437.504 1.331 30 10 IDEE COCCOCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1316258543 FVEMGYYYXFEBDY-LJQANCHMSA-N 441.536 1.776 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCOC2)CCO1 1316540562 WSZLTACKHKXHMG-ACJLOTCBSA-N 434.294 1.588 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)CCO1 1316540715 NGTRRHDGNOUVIE-GFCCVEGCSA-N 434.394 1.046 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2CN(CC)CC)CC1 1359035591 YIMFFLLFTSBMIN-JOCHJYFZSA-N 449.603 1.875 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1359036588 AKYWTPUICSNBLL-QHCPKHFHSA-N 449.647 1.959 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359225402 XLDOHKVCEZSMIT-UHFFFAOYSA-N 434.566 1.793 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1359281402 YJDPKVRCWDZCIQ-SFHVURJKSA-N 426.521 1.618 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1359291209 IEWYFSIFLPFZNA-SFHVURJKSA-N 442.495 1.533 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)[C@H](C)C1=O 1360017010 AJFVIYARWBYUAN-QGZVFWFLSA-N 448.535 1.587 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)[C@@H](C)C1=O 1360018226 NTIJLNHBFVSZMP-BXKMTCNYSA-N 449.559 1.988 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[S@@](=O)C(C)(C)C 1360677545 FEIYQBIEUDMQAI-GMYLUUGSSA-N 444.627 1.566 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCCCS3(=O)=O)C2)C1 1446729599 AJQPHXMUHJXSGO-KMFGOTIKSA-N 425.551 1.857 30 10 IDEE C=CCOC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OC 1448497932 UHQJFIGFVSYGOZ-AWEZNQCLSA-N 434.308 1.224 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1450156840 MDTQOZRGCUFGCU-RISCZKNCSA-N 428.258 1.547 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1450471037 KIOIFJRBZFKTTO-HNNXBMFYSA-N 431.543 1.203 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1452935339 PVWQWGFAMDTJLS-DHZHZOJOSA-N 431.489 1.587 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CO2)C1 1453251624 CJGNWDODWACXBO-MRXNPFEDSA-N 438.488 1.834 30 10 IDEE CC1(C)C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN(C(=O)OC(C)(C)C)C1 1454577057 HNSBDZVCFRKILL-HNNXBMFYSA-N 433.509 1.753 30 10 IDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OC 1462163508 KXJIZCIFSFNPKE-INIZCTEOSA-N 430.910 1.599 30 10 IDEE C=CCN(C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCS(=O)(=O)C1 1464401805 RFXJFVOTUOHZTH-AUUYWEPGSA-N 427.523 1.344 30 10 IDEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1465238039 OKVZUOUHBOQZLM-MRXNPFEDSA-N 438.550 1.366 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@@H]1CCCN(O)C1=O)C(=O)OC(C)(C)C 1468452607 ISZPHKXXLKRPBC-CYBMUJFWSA-N 430.502 1.245 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CC1 1477743577 ZWIPBWKIKZEPTG-UHFFFAOYSA-N 447.492 1.308 30 10 IDEE COC(=O)c1ccc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)c1 1478707911 AEIMGOFXFMLBBD-OAHLLOKOSA-N 438.488 1.606 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1494477412 HADJZRDARABMJX-SOLBZPMBSA-N 445.545 1.777 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO 1499306790 FQJULDRLKOVQJD-PMACEKPBSA-N 437.548 1.378 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1)OC 1504580812 HVGJJJDUFMKNBY-LJQANCHMSA-N 434.504 1.595 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1505021699 YIJYFQALZZJHPH-WGGBDISSSA-N 441.532 1.988 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCS(=O)(=O)C3)n1CC(F)(F)F)C2 1505317150 JMSWBLFRTCVCNT-JTQLQIEISA-N 442.423 1.277 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)F)CCN1C1CC1 1505321017 CWLLKDVXCQOPTK-OAHLLOKOSA-N 446.462 1.731 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1507616354 JKSWCLIWGXRRIX-UYAOXDASSA-N 443.573 1.801 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507714875 YYYJYGLHVCLENK-IAGOWNOFSA-N 445.486 1.869 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@](C)(O)CC)CC1 1507723906 YXBKBYNVJCJOAY-DEOSSOPVSA-N 449.559 1.591 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2([S@](C)=O)CCC2)CC1 1507738928 ICZSTLXYEQUVDW-ZQHDKMAOSA-N 433.578 1.049 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@H]1C 1507998837 UCGSCMDWJNIPSR-BTCOZLQPSA-N 441.532 1.970 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1508059047 LDYPCCWOKILAKZ-RTBURBONSA-N 447.561 1.765 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CCO1 1508374216 GNVMOSNFJVDTJX-FQEVSTJZSA-N 434.504 1.134 30 10 IDEE CCCNC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1515071568 DNPMTWXBRRZNLJ-MAUKXSAKSA-N 426.477 1.436 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1519450889 RBTNHLXCEHUTPF-VERUCKTNSA-N 433.534 1.700 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CCCC1 1519503672 DNSUPCXUKVXZEI-QGZVFWFLSA-N 442.545 1.486 30 10 IDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCC(C#N)(c2ccccn2)CC1 1524193087 CSOAMTRUGYGPBH-UHFFFAOYSA-N 436.516 1.739 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)ccc1F 1528696540 CBUOZKJVYXVIGZ-UHFFFAOYSA-N 442.490 1.954 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 1531717905 GMHNDZJARHFKDS-DEOSSOPVSA-N 431.496 1.983 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccnc(N3CCOCC3)n2)c1 1534105877 HQGRWSWOICQFAS-MOHJPFBDSA-N 444.517 1.378 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1537403477 WHQQIXLXHYETLV-UHFFFAOYSA-N 430.534 1.121 30 10 IDEE C#CCN(C(=O)[C@H](NC(C)=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1537469386 QPSPYPDMPRIYFA-JKSUJKDBSA-N 427.320 1.275 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539204981 DHCDEOCYINJPLA-AZUAARDMSA-N 446.573 1.986 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1539299909 PQMODCDDGAYJJR-HSZRJFAPSA-N 427.549 1.796 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1539505273 ABZFJIZZJNXSOQ-QGZVFWFLSA-N 443.529 1.382 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1539517113 IQOVUTATJHHPCW-HZPDHXFCSA-N 427.596 1.214 30 10 IDEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1539733931 USXJTXPDWDARBA-NJNPRVFISA-N 435.569 1.874 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540020403 UQNWFCOKJHCLSE-OAQYLSRUSA-N 427.509 1.481 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1 1540724998 DRROWTHWBAONAH-UHFFFAOYSA-N 442.497 1.476 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1540871958 YNFSMSDYULDFQH-KRWDZBQOSA-N 438.532 1.108 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)C1 1540882208 DMFBTAXAFKNQRG-HOCLYGCPSA-N 436.538 1.122 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1540899858 CKPQNPIIMQNPPK-UHFFFAOYSA-N 444.561 1.186 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540903793 HZRFLTZQHVANDO-SFHVURJKSA-N 439.626 1.767 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1541044215 QDBCKKYGLCIVCD-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1545170612 FLKAYQAMZWTTDX-MBSDFSHPSA-N 435.532 1.790 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1547218519 QEPWIVPJIUIZGV-HNNXBMFYSA-N 427.509 1.672 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 1556354677 QTWYWVSUSKHPKQ-HNNXBMFYSA-N 445.472 1.533 30 10 IDEE O=C(C[C@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1)NCc1ccc(F)cc1 1557192946 WGCLTXKABZTAQV-LBNMDVIHSA-N 442.491 1.987 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 1557384586 SMMHNPBWEPYZIR-NRFANRHFSA-N 436.493 1.982 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1 1557570800 XTPQUGWNRRDXLO-UHFFFAOYSA-N 438.552 1.391 30 10 IDEE C=CCN1CC[C@H](N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1559909633 JWNFIQUEEFJMKJ-QYZOEREBSA-N 447.580 1.641 30 10 IDEE C[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](C)CN1CCO 1570455944 DLDNWRNJCWAQTA-HOTGVXAUSA-N 427.505 1.936 30 10 IDEE Cc1cc(C#N)cnc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1586810425 CWRFWJWOURAGDT-UHFFFAOYSA-N 434.241 1.619 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC=CO2)c1 1587693204 QYFOJVUHLRGFRE-OALUTQOASA-N 434.500 1.978 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1587985106 SLWLGEKLAHHOIV-SFHVURJKSA-N 443.577 1.489 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1588035575 VKZJWMOTGVVYJI-IAGOWNOFSA-N 425.555 1.374 30 10 IDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588058786 CHICFTHACBXAAX-KRWDZBQOSA-N 449.964 1.237 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)CC)CC1 1588891519 PSXCEYLRJPNHSM-FCHUYYIVSA-N 433.553 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCC[C@H]2C)CC1 1588930306 SFQZHZIFGPSOPJ-QUCCMNQESA-N 428.581 1.622 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1CC 1593746825 ODCOAQVMIMAASC-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1594720205 FSGSTQDSJLCKMT-IBGZPJMESA-N 426.569 1.993 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1606664031 NQEZXHUGMJYONC-CJPRGTFYSA-N 444.536 1.387 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1Cc1ccc(C#N)o1 1611684118 GXRXBIJGXWNNTF-ZBFHGGJFSA-N 448.549 1.654 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)C1=O 1618560602 MADHVQGIKIQSJQ-BTYIYWSLSA-N 432.525 1.865 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1620354652 BJFWSUUKPXQROC-OALUTQOASA-N 445.545 1.516 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)c1 1620378132 CNCQKCMZGTVCOF-UHFFFAOYSA-N 449.511 1.956 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(F)ccc(C(=O)OC)c3C2)c1 1632962399 LVDZEIJEYVBBDR-UHFFFAOYSA-N 430.457 1.722 30 10 IDEE Cn1cc(Br)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1=O 1634589319 ZRYSRXQXSNXAAV-INIZCTEOSA-N 429.274 1.550 30 10 IDEE C[C@@](O)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)c(Br)c1 1637513338 NSBRUHFTRIWXQS-KRWDZBQOSA-N 437.225 1.013 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1639210475 FEXVUHGIXOCBSY-ABAIWWIYSA-N 426.336 1.839 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CCS2 1640200059 YCPCYYNTQPRUHT-XAUUPUKJSA-N 437.543 1.170 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 1640844370 CORSPHXRHVWCAU-OWCLPIDISA-N 440.525 1.708 30 10 IDEE C#C[C@H](NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C1CCOCC1 1640925922 VKXQKKOESHDCFQ-SESVDKBCSA-N 434.558 1.479 30 10 IDEE N#C[C@@]12CN([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1644636956 SGZQGUFESRJHLC-NUTKFTJISA-N 429.420 1.561 30 10 IDEE C#CCN1CCC(NC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CC1 1672736126 AZMQKUIKFLVLIS-UHFFFAOYSA-N 439.604 1.755 30 10 IDEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1675939291 YYVLGWCKHMJRID-SFTDATJTSA-N 433.512 1.900 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CCN(Cc2ccncc2)CC1 1682521557 GXYSXYVLXWGWAZ-SFHVURJKSA-N 434.548 1.876 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)C2)nc1 1684219466 ALSCTAAHMHIXSM-ZDUSSCGKSA-N 438.366 1.141 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 1687793540 BDBVZKKMYYKWLV-BZUAXINKSA-N 429.525 1.872 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1689847540 BQGNZZHKDQFAJU-HJPURHCSSA-N 435.532 1.199 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1689852802 KUCMXJXIMUBTRR-OXJNMPFZSA-N 443.573 1.995 30 10 IDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689980088 LLRXSOLXSABGKZ-DOTOQJQBSA-N 448.520 1.709 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1689990737 RDHAVLWCUMPXPR-YRPNKDGESA-N 448.589 1.780 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689993212 XXTSXJALYFZCSL-LRXVAGHRSA-N 443.573 1.442 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1690595247 RSDNWGSRUHKQJH-LPHOPBHVSA-N 425.624 1.796 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)[C@H](C)C1 1690839952 ABQSAJZLBHLSHI-BEFAXECRSA-N 435.532 1.788 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)CN2CCOCC2)CCOC1 1690996279 YVAMBQYSUXLKKY-KNKQGSTJSA-N 434.585 1.883 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1696046333 HWADANKMYGLDQU-SIKLNZKXSA-N 430.553 1.929 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1696578124 FOGVWYOJUWABNJ-LAUBAEHRSA-N 441.515 1.120 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1697823749 VWAZPDTVPCPQAI-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1698222694 SUNDBDZCIDHEAT-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705562391 BGDNVBCFHHEDAB-INIZCTEOSA-N 447.561 1.636 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1705612994 ULDLCLNELGMFRA-GOSISDBHSA-N 430.530 1.733 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)OCCc2sccc21 1705627292 BYJCEHXPTCQHJK-KKSFZXQISA-N 429.546 1.865 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cccnn2)CC1 1705652511 BWPBIFOSZMVPQP-UHFFFAOYSA-N 440.577 1.751 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1705693916 MBKHIUWDFNLRNV-ZACQAIPSSA-N 428.541 1.868 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705699194 DIUUBGATCQJRDW-FYQPLNBISA-N 433.553 1.842 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1705716339 HQTMSTPNLZFRKF-SQNIBIBYSA-N 441.598 1.565 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705751917 BWMKSQGQBMFYCX-ZDUSSCGKSA-N 437.957 1.658 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705762258 SCQWNPKELRDPCK-YOEHRIQHSA-N 435.916 1.341 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)COC)CC1 1705782431 WYNZFHNPWSUNSP-RDJZCZTQSA-N 427.571 1.296 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1705824708 YKJFRPBGDIDKHM-PGRDOPGGSA-N 433.553 1.724 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705905656 CECRKTBTHVMMQB-WOJBJXKFSA-N 439.564 1.113 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)C1 1705921959 CJSAHSXBSKTHBK-GOSISDBHSA-N 426.569 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(C(N)=O)CC1 1705933139 VSEBXNJMMDFDRL-UHFFFAOYSA-N 433.534 1.256 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1705943516 CSIGIWYYGVWZOB-GOSISDBHSA-N 434.610 1.697 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1706075885 UMWWJWDITLSYLM-RDJZCZTQSA-N 445.545 1.870 30 10 IDEE CCO[C@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1710436187 FWAIWKDRKPVELG-LJQANCHMSA-N 437.522 1.314 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(F)c1 1711835222 HPZGJGBIHIKESN-ZDUSSCGKSA-N 436.513 1.824 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1712884100 GMELGYOSPZQGSK-WMZOPIPTSA-N 433.509 1.562 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1722352900 QSPBAJSZDBTUSH-CQSZACIVSA-N 428.518 1.193 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNc1nccc(C(F)(F)F)n1 1722371294 URECGNXLNYUMEQ-UHFFFAOYSA-N 446.437 1.508 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1722420573 HWADATFJVFNNMU-HOTGVXAUSA-N 433.534 1.151 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CC2)CC1 1722431803 OBPNJDXQBVMQEQ-GOSISDBHSA-N 442.589 1.375 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCCCC3)CC1 1722560303 VHVWSJGVXFGXAB-OAHLLOKOSA-N 434.570 1.411 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722579505 GQAHTJLKWKFRDA-MRXNPFEDSA-N 429.956 1.806 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722582917 LYXLEYUKQFHASS-LSDHHAIUSA-N 447.627 1.504 30 10 IDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 1722606347 LYVIPSDLRWVDIF-HNNXBMFYSA-N 432.550 1.577 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCc2ccccc2)CC1 1722699469 UZMKLOKZZHWJHS-OAQYLSRUSA-N 438.576 1.839 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703717 FPPHLVLDPUIPBC-YADHBBJMSA-N 433.553 1.628 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CC2)C1 1722727615 KAOJTCXDVRZOPR-JKSUJKDBSA-N 428.580 1.017 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1722749150 FBDMRVQMDNVGTM-OAHLLOKOSA-N 428.518 1.084 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722770463 LBFBFPIDOMWTQR-LJQANCHMSA-N 435.532 1.790 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccccc3F)nnc2N(C)[C@H](C)CC#N)CC1 1722795637 DBTFXHQTYGNUIK-QGZVFWFLSA-N 427.528 1.910 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1727423674 SYAKHJDTZLTBHQ-IPMKNSEASA-N 427.505 1.688 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740598660 ZDRUFNOWZNMXNQ-MRXNPFEDSA-N 444.502 1.919 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(C)cs1 1740685799 MMSSNLPRXGQVKS-GDBMZVCRSA-N 437.591 1.835 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1740704596 UHXCTPUUHHIRHY-UHFFFAOYSA-N 448.449 1.589 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740746292 HSGCLCSEHQICFR-AWEZNQCLSA-N 437.386 1.928 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1740767421 OQEVFTMBGGLVEN-QLDGJZPUSA-N 433.553 1.613 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740791263 ZOAZCJOPZAVNTL-UHFFFAOYSA-N 436.582 1.737 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1740941214 FJQJZEVCDFLFTG-JKSUJKDBSA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)C)CC1 1740959429 VJWVECBCPRXFCN-UHFFFAOYSA-N 429.525 1.229 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1740963192 COUJTFZRFWFIQJ-IBGZPJMESA-N 440.548 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC(C)(C)C)CC1 1740991373 VIHWVLDDDPQZRX-INIZCTEOSA-N 439.582 1.614 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1747534699 GKUPAKJMFYKRDH-UHFFFAOYSA-N 435.454 1.979 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCCc1ccccc1 1748640771 ADYPHAWQZIIWNX-WZONZLPQSA-N 425.533 1.747 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1748757707 ICQPPLPVILVJGH-NRFANRHFSA-N 449.603 1.723 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1748929827 QFZJXUTZGFFJAJ-SFHVURJKSA-N 435.525 1.452 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1748993968 SGQYYMVKIHSNDU-SFHVURJKSA-N 448.618 1.356 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCC(=O)NC2CC2)CC1 1749016949 QXCCASVIAFJCPO-UHFFFAOYSA-N 449.559 1.289 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C(C)C)CC1 1749304186 WSWHFLZJBNIVQC-VQIMIIECSA-N 427.571 1.174 30 10 IDEE COCCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749654957 BDMQFIBKBPAYHK-QZTJIDSGSA-N 440.552 1.975 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1749683183 LKHDFTYGYBHURP-ARFHVFGLSA-N 434.541 1.781 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1750846305 AORLWTOQCVPZPH-AUSIDOKSSA-N 443.596 1.887 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCCCC2=O)CC1 1760256730 JNMMTADPNWPYGU-QHCPKHFHSA-N 444.580 1.088 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760279617 CQDFTHCWWYVORR-UHFFFAOYSA-N 436.563 1.162 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1760280563 KPJHCCLGTAUZJN-SFHVURJKSA-N 432.594 1.144 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1760445120 AMLDJMATWCJGJK-UHFFFAOYSA-N 449.519 1.635 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccccn1 1760517936 CMAODNCIMJHHAD-UHFFFAOYSA-N 430.476 1.254 30 10 IDEE Cc1n[nH]cc1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1761607206 BXXOGJBUKCZPBF-BEFAXECRSA-N 434.570 1.683 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)c2cccc(O)c2)n1 1761959788 KLZCOLSURWFFGU-IBGZPJMESA-N 447.499 1.903 30 10 IDEE CCO[C@]1(c2nnc(N(CC)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1765848439 NNHVVNNCLFPGBT-MGPUTAFESA-N 449.533 1.457 30 10 IDEE COCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1770159725 PNIUTFIBTBOAME-HNNXBMFYSA-N 425.493 1.451 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOc2ccc(F)cc2)CCO1 1770751753 MFTRFGYNVWRGPF-GOSISDBHSA-N 428.468 1.737 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCCCCC1 1770831323 UOCNQCQBKJZCRU-ZPHPHTNESA-N 427.509 1.421 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2sccc2C1 1771222104 FPXLLIBDABBWLH-WMZOPIPTSA-N 446.577 1.851 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC(Oc4cccnc4C#N)C3)C2)cc1 1849509837 ZRIYJUYYGCYPGR-KRWDZBQOSA-N 440.525 1.952 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCC(C#N)CC3)CC2)cc1 1852176815 ALIRXBDIQOCODD-UHFFFAOYSA-N 434.562 1.448 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)C1 1855396361 UJFYHOUWUMYQSF-ZDUSSCGKSA-N 431.967 1.802 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C2CC3(COC3)C2)CC1 1855837985 OSSUILYROHZXIT-UHFFFAOYSA-N 429.498 1.453 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1F 1857100004 DPYNJFKHYXHHCD-HNNXBMFYSA-N 429.473 1.829 30 10 IDEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(=O)cc1C(=O)O 1857890505 ZNPBBQOUBRXCHC-UHFFFAOYSA-N 431.470 1.789 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCN(CC)CC1 1870547708 KWUYZYRTRUQFLD-FQEVSTJZSA-N 432.565 1.188 30 10 IDEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870681373 DWRRKSKWJHYQOF-UHFFFAOYSA-N 425.533 1.657 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cs1 1889515652 KKDGONXPKZGTRW-UHFFFAOYSA-N 441.561 1.720 30 10 IDEE COc1ccc(OC)c(NC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889548329 AYOYDGZAEHZQCX-UHFFFAOYSA-N 430.549 1.968 30 10 IDEE C#CCN(C)C1CN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2016617682 YWVXVXOUTAXPCG-XMMPIXPASA-N 426.561 1.932 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)n1 2255649746 WACQCIWJLGHLHX-AWEZNQCLSA-N 435.330 1.305 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2255823690 XRLPOARIEUOWNK-CQSZACIVSA-N 434.346 1.801 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2255843070 BDCYDGOYWWUZIZ-MRXNPFEDSA-N 425.342 1.461 30 10 IDEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255844604 ZGFDDFMKAPDTND-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256064176 QLFRNPNIHWKTEX-CQSZACIVSA-N 432.330 1.763 30 10 IDEE Cc1cnc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2267117079 WWVNELIWQSCGJV-HZPDHXFCSA-N 447.341 1.399 30 10 IDEE Cc1ccnc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267510593 NCTXLBWMOKXORC-LSDHHAIUSA-N 447.341 1.711 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2267531638 SZWQYXGOJNAXEM-QZTJIDSGSA-N 436.365 1.888 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2267599562 RILBYSNCVQXWLQ-ZDUSSCGKSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267827421 UTCYVAILOTYURN-FGTMMUONSA-N 449.357 1.321 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2272649928 NQDMNBJPIYTJFG-RCDICMHDSA-N 446.357 1.706 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)OC1(C)C 2282839637 GXXSTCZXEWTUIC-CYBMUJFWSA-N 444.384 1.357 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2317676331 QNGAHVFZBDELAL-AWEZNQCLSA-N 436.318 1.045 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 72444376 AIKLEMOFSXCUEG-GJZGRUSLSA-N 441.875 1.990 30 10 IDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 111047890 VHOBSUREAXFRET-UONOGXRCSA-N 438.571 1.720 30 10 IDEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(c5ccc(CC(=O)O)cc5)CC4=O)nc3c2)CC1 170178866 SPZKYCSDRAXULS-UHFFFAOYSA-N 446.511 1.658 30 10 IDEE NC(=S)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccc2c(c1)OCO2 254834352 DVRNLHRMJVKRNN-MRXNPFEDSA-N 442.413 1.243 30 10 IDEE CCN(C)C(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 409514001 PONQNVVRTIEQBX-UHFFFAOYSA-N 440.525 1.797 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 437628348 WAQCAXBROODPTE-YOEHRIQHSA-N 429.564 1.549 30 10 IDEE COc1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 447266221 WBOICDRBPYCMPW-UHFFFAOYSA-N 446.460 1.178 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccccc1 460555677 QQPTWFZVTZYKKJ-LJQANCHMSA-N 449.577 1.840 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 464103386 XATLSYFLNUIULQ-IBGZPJMESA-N 432.502 1.624 30 10 IDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cc(C#N)c(SC)nc3O)C2=O)c1 477605569 KSYYDCPCEVMGPK-INIZCTEOSA-N 428.470 1.933 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(N2CCCCC2)CCN(C)CC1 482370593 UPXDZQCXMNZTJL-GOSISDBHSA-N 447.605 1.292 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 482550884 CDVNUYADHLOICM-KUHUBIRLSA-N 444.488 1.281 30 10 IDEE Cn1cc(-c2nc([C@H]3COCCN3S(=O)(=O)c3ccc(Cl)c(C#N)c3)no2)cn1 503092211 UUVZWYSTINXILM-OAHLLOKOSA-N 434.865 1.757 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@@H]1CCCO1 505700012 MDJFNEPUEUFKEJ-KRWDZBQOSA-N 437.521 1.864 30 10 IDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 508892969 FJPCOYCYIXQITE-UHFFFAOYSA-N 448.556 1.842 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(Cc2nc(C)no2)CC1 508931667 QAXWUUGSWURFNA-UHFFFAOYSA-N 433.476 1.794 30 10 IDEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510621714 FMPGXCUUWRJUBG-KRWDZBQOSA-N 431.884 1.045 30 10 IDEE CCc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cnc2c1c(=O)n(C)c(=O)n2C 513801684 AMTZNTYXFQXVQF-UHFFFAOYSA-N 444.413 1.995 30 10 IDEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 516940904 TYNOIXAXPLPHJP-MRXNPFEDSA-N 429.498 1.674 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CCN1Cc1ccccc1 523435286 SXEVCOSAISRILT-JOCHJYFZSA-N 438.576 1.350 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 532880610 MGATVFJUGWILLV-UHFFFAOYSA-N 433.599 1.944 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN3CCOC[C@@H]3C1)CCCC2 544521470 WHDHHSFSEATVHG-ROUUACIJSA-N 427.549 1.372 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 549504277 BVGYXMBPWRBZRQ-DYESRHJHSA-N 449.559 1.785 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCc2ccc3ccccc3n2)CC1 586844085 AULQBXULWZEKDH-UHFFFAOYSA-N 444.495 1.979 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2noc(C(F)F)n2)CCC1 590431855 AQSSIURHJKYOOI-JTQLQIEISA-N 425.417 1.741 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C#N)cc2F)c1 609229587 CPRJQLBFDUFSCD-UHFFFAOYSA-N 446.504 1.714 30 10 IDEE COC(=O)CCN(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610799652 KHSORLIRGZBPHW-MRXNPFEDSA-N 429.498 1.817 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cc2C1=O 641893215 UGVNIERIWKLGOB-UHFFFAOYSA-N 447.447 1.796 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(-c2ccccc2C#N)c1=O 679753690 ZSDOYPLMXYAKCX-UHFFFAOYSA-N 429.505 1.767 30 10 IDEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC)[C@H]1CCS(=O)(=O)C1 731213372 ALLDYZJPAFJLPU-HNNXBMFYSA-N 448.463 1.791 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1SC(F)(F)F 737305108 FBHCUHFSNWWOIE-YPKPFQOOSA-N 428.392 1.880 30 10 IDEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O 741454517 JRGVUSPXOQIPRP-QGZVFWFLSA-N 449.552 1.494 30 10 IDEE CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 748784474 HPEPPFLTIZMZQN-MRXNPFEDSA-N 426.454 1.422 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCc2nnnn2C)cc1 772254100 GTSBQZFHKJGYPW-OQKWZONESA-N 434.526 1.167 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCc2nnnn2C)cc1 772254102 GTSBQZFHKJGYPW-XLNRJJMWSA-N 434.526 1.167 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774233516 JOEXQXWQOAPJMD-YESZJQIVSA-N 427.567 1.902 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 780854352 CNYCUPIDGGPTHQ-GOSISDBHSA-N 437.880 1.917 30 10 IDEE Cc1nn(C)c(N2CCN(CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 796033558 QTTSANIVXXQASU-UHFFFAOYSA-N 445.568 1.192 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CSC2(C)C)cn1 802719782 ACYGEQUBNHHHDD-LSDHHAIUSA-N 438.623 1.796 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 812179523 URQRDRLLJCZDBL-HOTGVXAUSA-N 434.541 1.864 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCOC 920395585 XPARYBRBLVIWLT-UHFFFAOYSA-N 439.537 1.150 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4ccc(Cl)cc4)n3)n2C)n(C)c1=O 1084443067 NJSOABHXPQUYTO-UHFFFAOYSA-N 445.896 1.339 30 10 IDEE C=CCOc1ccc(CC(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1 1144085398 UVFDSZLKTVSAND-UHFFFAOYSA-N 428.577 1.491 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1 1146690412 LLBNYSAWNJBDOL-KKSFZXQISA-N 436.530 1.581 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC2=O)cc1Cl 1151300607 WLFGOCQOVIJORX-OCCSQVGLSA-N 433.814 1.699 30 10 IDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1171622351 KWBORRNYFNWPFM-SFHVURJKSA-N 447.561 1.269 30 10 IDEE N#C[C@@]12CN(CC(=O)NCCOc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1176431865 LAFFVXLFWNSYAQ-YOEHRIQHSA-N 431.436 1.071 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)cc1 1180287350 SIMGSIHUUFYJNX-UHFFFAOYSA-N 447.538 1.694 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cc(C#N)c(=O)c3nc(C)ccc32)C1=O 1189024994 IYXKQMHIDZOUPN-QHCPKHFHSA-N 444.451 1.465 30 10 IDEE C=CCn1ncc2ccc(NC(=O)NCC(=O)Nc3cccc(S(=O)(=O)NC)c3)cc21 1209767559 JVVMXFMUELLQIJ-UHFFFAOYSA-N 442.501 1.891 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1214205727 LECLZADAHMCXSX-HZPDHXFCSA-N 425.532 1.172 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COCCOCC)c2C)CC1 1215460570 SWWHFEXSAZZDAM-UHFFFAOYSA-N 438.550 1.165 30 10 IDEE Cc1ccc([C@@H](Cn2ccnc2)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)c1 1224681659 LWVIVUGQXDURSI-DSKINZAPSA-N 427.530 1.821 30 10 IDEE CO[C@H]1c2ccccc2C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1230177801 GBFOJDQVXSJFDJ-RTWAWAEBSA-N 440.525 1.887 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1286306346 SFZGKOQDDIKOBY-FSNCLGKMSA-N 432.569 1.573 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1286389460 KJUHAYHIHNHBBZ-IBGZPJMESA-N 436.541 1.913 30 10 IDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1286390785 CKWQYQURKHISFM-LPHOPBHVSA-N 446.529 1.454 30 10 IDEE C#CCN(c1nnc(CC)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286394572 PBYJDUUOZNTJNH-FQEVSTJZSA-N 429.590 1.989 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1286396871 JGOYOKGHRPIWKM-SSEXGKCCSA-N 443.960 1.845 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2nccs2)n1 1286472415 XRAXBHAIVPRHNG-INIZCTEOSA-N 427.534 1.770 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286592293 XLHAQQMTMUHYKE-UHFFFAOYSA-N 443.508 1.961 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1286804138 LUYZEVZZJCRVLY-JLHGSKIFSA-N 433.553 1.626 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCn1cnc2ccccc21 1286959008 CLRWQAMFKMCCQL-HOTGVXAUSA-N 444.565 1.924 30 10 IDEE C#CCCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1300424969 QJXSNSNXPOXTIJ-XLIONFOSSA-N 439.582 1.109 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1300490625 AAWFVEJAGLKHGA-QGZVFWFLSA-N 431.566 1.094 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnnn1CC1CC1 1300520688 MRPMAEYPVZOGJE-UHFFFAOYSA-N 432.488 1.480 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(CC)S(C)(=O)=O)CC1 1300698599 VWXBJHFPVACANY-UHFFFAOYSA-N 445.593 1.075 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CC)s2)CC1 1300723591 XDFSQKLZXDDZPT-SFHVURJKSA-N 440.573 1.867 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1301584628 CLXPDWXZHSDYNH-HNNXBMFYSA-N 449.581 1.721 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1303469715 JFZCFUZUAZTYTK-QGZVFWFLSA-N 441.920 1.763 30 10 IDEE C[C@@H](O)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1303889835 HXTFKVULKJKNPH-HUUCEWRRSA-N 432.550 1.730 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1305328099 CUQRABIIFCWXLA-GZOOOWMASA-N 439.520 1.561 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 1311613670 OPTNZTKNEXXZFD-VQTJNVASSA-N 428.533 1.257 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C[C@H]1OC 1316332611 BHCYIZOBTOHKCW-BGYRXZFFSA-N 425.489 1.925 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(=O)(=O)CC 1358891722 LJCFRDVGOBBKSN-AWEZNQCLSA-N 425.505 1.934 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1358910227 IBEFQIKTCIUJCX-UHFFFAOYSA-N 433.516 1.697 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2nnc3n2CCCCC3)n1 1359028392 QREGHPFIMVUOPP-UHFFFAOYSA-N 437.552 1.689 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359028924 JJBVLUBYMMIOCB-REPLKXPHSA-N 437.548 1.884 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359048617 WUSLHPIQJYJBKL-MJGOQNOKSA-N 448.637 1.720 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2CCS(=O)(=O)CC2)C1 1359322765 BRNLRULXMTVAQV-LJQANCHMSA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(C)(C)C)C1 1359326883 LWOKHVQQPPQZDS-HUUCEWRRSA-N 447.627 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1359331935 KWDZHTHKABHPRL-QGZVFWFLSA-N 428.518 1.338 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCS(C)(=O)=O 1359532782 BRVDWASMKMUZDU-UHFFFAOYSA-N 432.550 1.836 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1461390881 SFFYHJATAXXIDX-UHFFFAOYSA-N 425.463 1.019 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c1 1463895093 UNHFRNBFYLJSBC-UHFFFAOYSA-N 443.569 1.908 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1469535004 NIWXWKHZQWPSDX-IBGZPJMESA-N 441.532 1.675 30 10 IDEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1471984028 NKDYDGAKBKYPGP-GOSISDBHSA-N 427.530 1.897 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)cc1 1472138828 REQGBZYJAICGLB-HXUWFJFHSA-N 446.550 1.600 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CNC2(c3ncc(Br)cn3)CCC2)CC1 1473819712 NLPSCFOJPKFBPI-INIZCTEOSA-N 435.370 1.900 30 10 IDEE CCOC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1502551792 UGOGQYBVZXFLRI-MRXNPFEDSA-N 425.493 1.579 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1504781014 FDSJHIDLNMYUCU-MRXNPFEDSA-N 434.504 1.833 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCCC1 1505083595 YLTXKZXBRWDDOJ-FHWLQOOXSA-N 432.569 1.995 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccs2)c1 1505121347 GSRTZYOPZNVNEB-CQSZACIVSA-N 430.515 1.582 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)C(C)C)CC1 1507721334 NDFRZXKLDYALSY-JOCHJYFZSA-N 435.536 1.083 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 1507731731 BRHNEYGHBQKUBU-UHFFFAOYSA-N 442.539 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCSC2)CC1 1507735677 FBXAIXHRCIIAAS-HTAPYJJXSA-N 447.605 1.649 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 1507739728 UWTQGYUBRZDROV-UHFFFAOYSA-N 438.576 1.888 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1507752811 GPDGDSBRXKZVBV-UHFFFAOYSA-N 443.577 1.386 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507754403 XIPADWRFBRQKGB-SFHVURJKSA-N 445.570 1.718 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O 1507819102 ODGUZGKOCLWQNZ-FQEVSTJZSA-N 441.598 1.757 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1507967162 CMYMSIHNDNLMIU-HNNXBMFYSA-N 432.550 1.686 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1508058333 XLSJOSWIRWVLLI-GJZGRUSLSA-N 430.509 1.559 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(N2CCNC2=O)CC1 1508083034 ZNOHZYMQBJWAGR-UHFFFAOYSA-N 439.520 1.250 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)CCC)CC1 1508086520 MBJZRUVJWXQRRO-UHFFFAOYSA-N 425.537 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1508134934 AJZZVYMRNDRZAY-KRWDZBQOSA-N 448.545 1.944 30 10 IDEE CCN(CC)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1515572543 AEKAATAZNHMKPD-IBGZPJMESA-N 439.564 1.985 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1518860004 DMEQNYIHCHBMOI-GOSISDBHSA-N 444.561 1.715 30 10 IDEE C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1525892343 ZVKSDJFDRLAQCU-JKSUJKDBSA-N 440.525 1.975 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)CC1 1529424886 LNRHNNFMJZZOHO-UHFFFAOYSA-N 441.532 1.918 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539120694 YKGSYCUOHCRHIK-SFHVURJKSA-N 443.577 1.489 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1539365998 UHKPWOICXNIVIS-RZFJCUDFSA-N 431.581 1.902 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1539392175 MVGNZRKXMIKXIG-KRWDZBQOSA-N 435.525 1.452 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1540904155 KWMPOOMQMAEJHO-HNNXBMFYSA-N 438.554 1.737 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CC(=O)N(c4cnn(C)c4)C3)c(C#N)c2N)cc1 1545163637 MBTDPGHJXQCSLH-MRXNPFEDSA-N 446.515 1.470 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C 1547710816 BAEFFNRYDWYYLP-FUHWJXTLSA-N 428.562 1.782 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC=C(C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1547897655 AUCBLRBAWYDUFW-OEAGWNGGSA-N 442.520 1.613 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1555802089 XXYQWKMQWLBKTQ-HDICACEKSA-N 431.518 1.593 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CCC4)[C@H](F)C3)CC2)cc1 1556464467 UAWUVUZJFRIZOR-WOJBJXKFSA-N 434.537 1.604 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)C(C)(C)[C@@H]21 1557815970 RLELJPVZXBKZTK-VNQPRFMTSA-N 431.493 1.361 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1561956803 CCQMFQLRVZSHKZ-UHFFFAOYSA-N 425.576 1.189 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](C3CC3)C3(CO)CCOCC3)C2=O)cc1 1570873135 CBMGFPHSZIIKSJ-UYAOXDASSA-N 440.500 1.447 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1 1584463065 IUKRUKOJOLEOSS-FCHUYYIVSA-N 439.537 1.324 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1587562147 LUGAMGUCBIWKRB-KSMMKXTCSA-N 439.969 1.907 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587662140 LHOLLAYBMVTZPL-KSZLIROESA-N 448.593 1.063 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587889310 XKWQLRNPSVYSFR-UHFFFAOYSA-N 447.561 1.797 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064807 PILRAAUIGRNZAP-DENIHFKCSA-N 428.558 1.765 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC(C)C)N(C)C 1588110102 VDIHCULMEDXDCX-OAQYLSRUSA-N 431.548 1.970 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)CC1 1588199752 YJQXPSIWESAFCD-UHFFFAOYSA-N 440.497 1.622 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595569998 UGGKNHKNVWZPGA-GOSISDBHSA-N 438.532 1.185 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1595884059 GSIHOYQJMCWOEB-CRAIPNDOSA-N 428.580 1.095 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1598358627 YFQPLBBHHUQELN-UHFFFAOYSA-N 441.575 1.744 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1611314647 MGBVNVXIYDCEQE-WBVHZDCISA-N 441.511 1.622 30 10 IDEE C[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)COCCO1 1611765916 WIPGLLRKENBZQV-SFTDATJTSA-N 425.493 1.861 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613281678 GUQXQYXNSWYFSF-SIRIWSTISA-N 429.525 1.423 30 10 IDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1618521406 MCEVXEHNBWOYPR-XJKSGUPXSA-N 427.295 1.572 30 10 IDEE C#CCn1cc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cn1 1618800507 LNJAIJJEXDAKQD-HXUWFJFHSA-N 428.514 1.579 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1619878093 AEVUKNQCYXEIHA-MSOLQXFVSA-N 426.477 1.509 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1619979429 QECTZXLNLFYGBC-IHCANNCPSA-N 430.509 1.517 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)C1 1620347606 YFPHUTJNUYRGJP-XLIONFOSSA-N 438.573 1.888 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)nc1 1620653232 UQNWTJUNRGCLLJ-UKRRQHHQSA-N 437.465 1.168 30 10 IDEE CC#CCN(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1622727332 DKRRHJBVRUTRJG-UHFFFAOYSA-N 435.594 1.956 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 1629485833 QOPCYXYDRSBCNW-HOCLYGCPSA-N 431.436 1.891 30 10 IDEE COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CCC2 1632428366 NXWAPMDHBMAFGN-GOSISDBHSA-N 441.509 1.859 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)C2)C1 1632963426 KWAJCIPFFVXYCT-OWVFDLHLSA-N 437.562 1.951 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CC[C@H](O)C2)CC1 1633355663 MFJZCCZNXLIZNX-HKUYNNGSSA-N 448.589 1.342 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3sc(N(CC)CC)nc3s2)CC1 1636475817 YJAOCRSVKPGSMW-UHFFFAOYSA-N 441.604 1.429 30 10 IDEE C[C@@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1639961813 IFXOFRJOVDZUCG-MAUKXSAKSA-N 430.505 1.518 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1639969199 VWDZYTNLZAAJCE-MRXNPFEDSA-N 437.537 1.696 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1643610714 YHPMPSYUTVCOAT-KRWDZBQOSA-N 441.557 1.293 30 10 IDEE O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125757 PNWAOAKMLDTFHZ-SRQGCSHVSA-N 425.272 1.029 30 10 IDEE Cn1c(SCC#CCN2C(=O)c3ccccc3C2=O)nnc1[C@@H]1CCS(=O)(=O)C1 1652545444 PUFIVWKAGDFVPF-CYBMUJFWSA-N 430.511 1.109 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1654604201 PGUVEMLJSPZHMP-FJIDUMEYSA-N 449.552 1.509 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3ccc4nc(C(F)(F)F)[nH]c4c3)C[C@H]1CS(=O)(=O)C2 1654974636 GEHHMXADRSBSQU-MGPLVRAMSA-N 427.408 1.390 30 10 IDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)ccc1F 1656002558 FIXORQZPUZOHCE-UHFFFAOYSA-N 429.520 1.673 30 10 IDEE C#CCN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1675071372 YXDNRVYHLDVDSJ-ZKXLYKBJSA-N 439.578 1.995 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccc(-c4nncnn4)cc3)C2=O)cc1 1680024545 IXZVCCGDXOEUMV-LJQANCHMSA-N 428.456 1.800 30 10 IDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)N1c2ccccc2C[C@@H]1C 1686489100 FHEQWKVMBKBZNY-BBWFWOEESA-N 433.516 1.935 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2)c1C#N 1687338183 OIQQAUOPZHJFAG-UHFFFAOYSA-N 436.520 1.157 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1689867003 OLNYBFTZSCAHDQ-OAHLLOKOSA-N 437.591 1.928 30 10 IDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689923497 VAEZVHCOBMEFHT-UHFFFAOYSA-N 438.532 1.540 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1689945494 FHFXFOFRMBALDN-QGZVFWFLSA-N 430.578 1.602 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)(C)C)cs1 1689999839 JMTLSWRPHJGPCG-AWEZNQCLSA-N 434.591 1.763 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690144436 ZLQMJGFWSKWHAY-SFHVURJKSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C2CC2)N(C)C)CC1 1690148663 OMPBFLROICCFLN-NRFANRHFSA-N 435.576 1.570 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1690246531 VJTKQXHWTKUERD-GGPKGHCWSA-N 433.553 1.796 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690251211 QSPZPEGIPAQCBR-UEXGIBASSA-N 427.553 1.788 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690311021 BFIMIDDJAOYEAS-MRXNPFEDSA-N 427.571 1.283 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@H](C)C1 1690670535 DOPNPSFSLWOJFT-CALCHBBNSA-N 440.552 1.368 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690672055 GMFSPIWNIQJCCP-VGSWGCGISA-N 440.504 1.055 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690681370 OGZOOUZRGPFGSD-QHCPKHFHSA-N 438.532 1.746 30 10 IDEE CC(=O)NCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690984536 XJJLFDKVWNKXAW-DENIHFKCSA-N 445.568 1.021 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1693644505 BCJMEFGAMDSWCL-QEEYODRMSA-N 430.534 1.549 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1696526428 GYNXXBRHHROBOU-RLTKGDLXSA-N 444.565 1.275 30 10 IDEE COCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697726847 HSYIHQKMFMEYKF-UHFFFAOYSA-N 440.552 1.682 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698494577 WXJATGHYVQFDIK-FUHWJXTLSA-N 435.463 1.552 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705543813 UDDAUKAGEXFPTQ-UHFFFAOYSA-N 447.543 1.543 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnnn1C 1705576448 LIMDNWDNJJPENR-UHFFFAOYSA-N 440.305 1.966 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1705604028 DEURUQOKIFNFPB-HNNXBMFYSA-N 442.586 1.605 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 1705609393 BRADEKFXMQQBTC-UHFFFAOYSA-N 431.298 1.748 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1705624902 SLBWUWUEQOEVNV-LSDHQDQOSA-N 434.500 1.866 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1705698304 RYLYCHMXXQGELH-HZMVEIRTSA-N 441.598 1.731 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1705754744 FHWYHUCGRBPDDO-OAHLLOKOSA-N 426.930 1.395 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705804199 SOXISVFAGXXMMX-LJQANCHMSA-N 426.569 1.778 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705937618 ZBRKGYTWSSGOTE-SFHVURJKSA-N 444.561 1.066 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc2[nH]ccc12 1706889773 IRFHOUXLRSRBRD-HOCLYGCPSA-N 443.533 1.341 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C(C)(C)C 1710735459 JZSGXNOIMXBMII-UHFFFAOYSA-N 440.552 1.570 30 10 IDEE CN(C)c1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1711002836 GCSPRTGFIKBETC-IBGZPJMESA-N 446.515 1.963 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1722358844 MKJDKCVRPNXCEE-GOSISDBHSA-N 447.561 1.497 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722363023 YLRXICDYFDLJBY-SJORKVTESA-N 434.566 1.366 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1722365854 GGVRQRUGPLRZDQ-DOTOQJQBSA-N 436.484 1.735 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1722680839 BINSTHIWSUZAQN-CYBMUJFWSA-N 426.568 1.281 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722738262 DSCYNTXTEFSFQZ-DFQSSKMNSA-N 448.637 1.690 30 10 IDEE CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1722857020 WLQMPEPZIZZDFB-UHFFFAOYSA-N 444.543 1.988 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1730878869 XEIBODRJOUJRMG-DOTOQJQBSA-N 449.533 1.183 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1740616783 GTBZEUYBJZYRAX-SQNIBIBYSA-N 436.578 1.962 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1740622710 HHMLWAFILVOIQQ-GJZGRUSLSA-N 433.559 1.274 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1740651134 ZREAZHWZIALJMX-QGZVFWFLSA-N 440.525 1.614 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(COC)CCOCC2)CC1 1740692913 RMYSUJGRWSRDGB-HSZRJFAPSA-N 447.580 1.129 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@H]1CCCO1 1740752271 VCOFVTRWMQHWKZ-TVFCKZIOSA-N 441.598 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740760927 STXAWOCHWOBJQZ-BJLQDIEVSA-N 431.562 1.868 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740786531 HENWVAFSXAHEKO-IAGOWNOFSA-N 439.520 1.766 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1740811654 YFEKKKLIABKWOE-ZDUSSCGKSA-N 439.916 1.845 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1740970449 LPXHWMNPHJBPDX-CVEARBPZSA-N 446.533 1.141 30 10 IDEE CC(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1741627258 WOWWAMNIXCPJHS-MRXNPFEDSA-N 432.550 1.614 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1[C@@H]1C[C@@H]1C 1741939652 AMKUKUQRQRNSGX-TXPKVOOTSA-N 443.577 1.663 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C 1748345604 PHSZTBPESKZQOU-NYHFZMIOSA-N 437.504 1.572 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1748757490 DOOAZTHOMYHOKO-IBGZPJMESA-N 438.536 1.320 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCCC2)CC1 1748977741 BBQPVXJYWJNWAK-QHCPKHFHSA-N 430.597 1.560 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCN4C(=O)C(=O)NC[C@H]4C3)nnc2C(C)(C)C)cc1 1749687664 XAGXJAAHSGPIJG-KRWDZBQOSA-N 438.532 1.336 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749735710 VDAFKXJZLZLTNN-QGZVFWFLSA-N 425.599 1.818 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1C1OCCO1 1750008519 ORYCPJDLMBXKTD-AEFFLSMTSA-N 443.504 1.825 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCCO2 1750009889 ZEKPPVBTSBMCKR-RDJZCZTQSA-N 429.477 1.550 30 10 IDEE CC(C)OCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1750075906 JPJKCZQBLAXGAY-JKSUJKDBSA-N 428.559 1.022 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H]1CCOC1 1750954544 RYDJVACFBXMMNO-CQSZACIVSA-N 425.493 1.378 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC(=O)N2)c1 1760129219 ZXFOVASUJPKFAH-MOPGFXCFSA-N 436.516 1.855 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1760185187 RTFYDWFVKKGDRV-MRXNPFEDSA-N 449.964 1.751 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760189377 IHPTYZLBWUIJCN-WIYYLYMNSA-N 429.546 1.460 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1760191994 CKWBAGBLBNUREP-UHFFFAOYSA-N 425.514 1.061 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncc(CC)s2)CC1 1760268447 JYVHDBIRWXIPRA-INIZCTEOSA-N 441.561 1.262 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1760282101 WBRLCZHGSZZCOQ-INIZCTEOSA-N 442.607 1.382 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1 1760464856 QOMKZAIDYUPCSI-DAWZGUTISA-N 441.598 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](OC)C1 1760556720 OAFDOCNWSDTTTH-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1761524797 WCHUYSFGTMTNPA-OXTHUFEASA-N 428.468 1.764 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1767020261 IOVSOXGSNJOUSM-UHFFFAOYSA-N 437.508 1.256 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCNS(C)(=O)=O 1767984850 PNAMRHPZMAAHPB-MSOLQXFVSA-N 432.550 1.497 30 10 IDEE Cn1cccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCCO 1769043686 OGZDEHMVOUJFQM-UHFFFAOYSA-N 436.520 1.276 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N(C)C 1770039682 CNWLJROLCGGXHJ-KRWDZBQOSA-N 441.536 1.289 30 10 IDEE CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772793263 WMICDOPHSSNQOL-INIZCTEOSA-N 427.438 1.504 30 10 IDEE Cc1ccc(-c2noc(C3=NN(CC(=O)N4CCN(CCC#N)CC4)C(=O)CC3)n2)cc1 1848452863 CCQAPVWAMHNKRY-UHFFFAOYSA-N 435.488 1.429 30 10 IDEE Cc1nc(C(=O)N2CCN(S(=O)(=O)C(C)C)CC2)c(C#N)c(C)c1Br 1852890090 MARNLSCVNVSOLA-UHFFFAOYSA-N 429.340 1.829 30 10 IDEE Cc1noc(C)c1CN1CC[C@@H](N(Cc2cnn(C)c2C)C(=O)c2cnc(C#N)nc2)C1 1853420163 AXFRXGBBRAZBPO-LJQANCHMSA-N 434.504 1.912 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CSc2nccn2C)cc1=O 1870300615 MYVBVJWMGHZBHZ-UHFFFAOYSA-N 444.538 1.582 30 10 IDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)C2)c1 1890096051 HIXNGQBEMCQKMJ-AEFFLSMTSA-N 444.488 1.925 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c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c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390468 WCPSVOAOAXJTMG-LLVKDONJSA-N 427.332 1.058 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C1COC1 2247881346 WKEMEHQCKVMCOE-UHFFFAOYSA-N 433.339 1.309 30 10 IDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247950173 CQVWEBGMQKYDEO-UHFFFAOYSA-N 443.331 1.115 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248439885 CXRZBSVVJIUVRH-OAHLLOKOSA-N 440.371 1.939 30 10 IDEE Cc1c(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255535142 QOUPGZIIHSEXQH-CYBMUJFWSA-N 436.318 1.308 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)n1 2255651495 XFFAFTTXFPSYBJ-UHFFFAOYSA-N 438.309 1.408 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2255815272 LKXFKEBYVWBRAU-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818694 OTNYRRPRAWAYGI-HNNXBMFYSA-N 436.362 1.998 30 10 IDEE Cc1c(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834490 NTLNGNRJJPKHEO-ZIAGYGMSSA-N 434.346 1.671 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067995 VWMYCABSVOZFGX-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267099548 LLRGAFZZRIBTEF-JTQLQIEISA-N 447.305 1.665 30 10 IDEE CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267179250 NJIVEKBAEBKGOZ-NUEKZKHPSA-N 446.357 1.940 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267220053 IXNLJRJDLULJGD-HZPDHXFCSA-N 449.357 1.829 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267542877 YJTRNJAHIKAZSC-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@H]1OCc1ccccc1 2267602699 QHEVAMDUDGKBSD-DLBZAZTESA-N 442.325 1.218 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)nc2)OC1(C)C 2268979446 NSRFNFQVPANLMK-UHFFFAOYSA-N 440.309 1.092 30 10 IDEE CNCC[S@@](C)(=O)=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282831318 IOYJILVDMQIVPK-RUZDIDTESA-N 442.821 1.707 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)n1C 2315699413 RCLPOTLPKLUTGL-UHFFFAOYSA-N 436.362 1.967 30 10 IDEE CC(=O)N[C@@H](CS)C(=O)N(C)Cc1c(Br)c(Br)nn1C 2364347978 LUULIPFLSOJLCQ-ZETCQYMHSA-N 428.150 1.338 30 10 IDEE C#Cc1cnn(C2CN(S(=O)(=O)CC(C)(C)CN3C(=O)c4ccccc4C3=O)C2)c1 2364902837 OWQVTLWXZZUNQD-UHFFFAOYSA-N 426.498 1.373 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371194894 BGRDIMITOVVMFR-WIYYLYMNSA-N 434.514 1.365 30 10 IDEE COCCCn1c(=C(C#N)C#N)s/c(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1=O 9467515 YDWVTGYSWVVXNR-XDHOZWIPSA-N 439.497 1.481 30 10 IDEE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 17729397 XTZREFCHABXCLP-HNNXBMFYSA-N 426.429 1.898 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)ccc1Cl 433479127 VBWOPFNXATXKJI-CQSZACIVSA-N 445.884 1.897 30 10 IDEE CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nnc2ccccn12 481524233 ZIDZKQZJEDWMAZ-RDTXWAMCSA-N 426.502 1.781 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)C2 483094148 XEDBYTNITMPXHD-GREBRCKQSA-N 444.507 1.046 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 483474231 JMMCOCWJHZEAPP-MRXNPFEDSA-N 447.561 1.438 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN([C@H](C)C(=O)Nc4ccccc4C#N)CC3)C2=O)n(C)n1 506576443 JPQLVFDUUVPVJS-WIYYLYMNSA-N 449.559 1.740 30 10 IDEE CN(C)CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)(C)C 523911369 DKJBTICBXZXQHJ-LJQANCHMSA-N 435.594 1.941 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)oc3ccccc23)c(=O)n1C[C@H]1CCCO1 533879731 RZQGGPHUWVBQMI-MRXNPFEDSA-N 449.532 1.949 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 538496788 FVERQBKUMYGQHF-UHFFFAOYSA-N 429.542 1.777 30 10 IDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 555305816 YXJVTDPLIIBCLQ-QGZVFWFLSA-N 436.468 1.692 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 603800243 UVJCPIIEIBCDMR-QGZVFWFLSA-N 439.537 1.223 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3c(ccn3CC(=O)OCC)c2)CC1 609844792 KWEAGIRPLVFZKK-UHFFFAOYSA-N 427.505 1.656 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3cnccc23)c1=O 611916203 PMTJYUAOKIOZQP-UHFFFAOYSA-N 436.537 1.524 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1-c1ccc(F)cc1 618638232 LUMILTZLCQDTNC-UHFFFAOYSA-N 430.464 1.835 30 10 IDEE C[C@@H](CN1CCCC1=O)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143221 SANFZKDTJONQGP-WMZOPIPTSA-N 445.589 1.697 30 10 IDEE C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2F)C[C@@H](C)O1 732708934 WTLVTXFCMIDAJK-IIDMSEBBSA-N 429.496 1.577 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCN2CCOCC2)c1=O 743725098 CVWPFFQGCHOOBQ-UHFFFAOYSA-N 446.598 1.125 30 10 IDEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749622034 LNFLPZSYETYDBE-MRXNPFEDSA-N 443.525 1.953 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCc2cnc(C3CC3)nc2)cn1 755563140 DWELYFOJHXFMMQ-INIZCTEOSA-N 427.534 1.881 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc([C@H]3CCCO3)s2)c1=O 758062886 YJIMSRLHHYGDJG-MRXNPFEDSA-N 425.535 1.723 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccco2)cn1 763463512 ZREKLLMUCNUMKG-QGZVFWFLSA-N 432.550 1.738 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1 765146092 SJFIMVQALSRDPI-UHFFFAOYSA-N 447.476 1.074 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCSC[C@@H]2CCO)cc1 768969844 PMEFRGPKSAWLLN-WATITHJCSA-N 426.564 1.831 30 10 IDEE C#CCN(C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 782079350 ZXKNSXAYLZFNHH-IBGZPJMESA-N 432.546 1.005 30 10 IDEE C[C@@H](CC(=O)N1CCC(Oc2cnccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 785367957 ZGCRLFMWTYDJFE-AWEZNQCLSA-N 429.502 1.364 30 10 IDEE C[C@@H](CN(C)S(C)(=O)=O)OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 786608214 DHIRRXNFILHJMB-AWEZNQCLSA-N 445.563 1.109 30 10 IDEE C#CCN(C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 793410047 MDVXMLTWTNOOCK-QGZVFWFLSA-N 425.551 1.776 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 794764797 GSZOBZSXLHXTCE-CMPZQBNXSA-N 449.529 1.090 30 10 IDEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802612263 DZEHMTKLBJARRA-IRXDYDNUSA-N 436.468 1.712 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 809896003 CHPDOLUPUSNKIE-INIZCTEOSA-N 432.525 1.584 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(Cc2nc(C#N)cs2)CC1 811456651 FCSVWFFHNKZLDI-UHFFFAOYSA-N 440.572 1.233 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1CCOC 812118111 MUUZCZXBQQCRAR-UHFFFAOYSA-N 427.530 1.449 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOCC)n(C3CCC3)c2=O)cn1 814251912 WZWAPVXRZJRMPV-UHFFFAOYSA-N 443.573 1.287 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnc2c(Br)cccn12 819838408 YXIIRGHJCYGHJR-UHFFFAOYSA-N 434.275 1.774 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(COc3cccc(F)c3)cc2)C1=O 1130147043 HKBKJFBKXQHKAV-UHFFFAOYSA-N 425.416 1.998 30 10 IDEE C#CC[C@H]1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1131460640 RRNYVTINWUOCDV-AWEZNQCLSA-N 441.347 1.955 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccccc2S(C)(=O)=O)ccc1F 1133578860 VSYKJBOJIYTLNO-UHFFFAOYSA-N 440.518 1.666 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 1146718631 DCWLXNVGDMKWMI-HXUWFJFHSA-N 429.542 1.648 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1OC 1158216273 RMKBHUSROWWMEJ-UHFFFAOYSA-N 435.527 1.968 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCO[C@@H]3CC3(F)F)nnc12 1161625036 XFMBPDUQEJHBPM-CQSZACIVSA-N 435.456 1.863 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)[C@@H](O)C(F)(F)F)nnc12 1161719330 DTFKPYCOKDYNQN-QMTHXVAHSA-N 441.435 1.750 30 10 IDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CCN(S(N)(=O)=O)CC2)cc1C 1168566695 VDFDXOGUQAAKCR-UHFFFAOYSA-N 430.534 1.478 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)s1 1179538524 YSIQSBYPFQPHBR-LLVKDONJSA-N 437.474 1.996 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286338248 JRQZQFLNLOPBHF-UHFFFAOYSA-N 441.499 1.932 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286389467 KLUDECYMHNGHOO-NVXWUHKLSA-N 432.550 1.423 30 10 IDEE C#CCN(c1nnc(CC)n1CC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1286391821 DXIRZYJEWLEBIR-HXUWFJFHSA-N 441.601 1.566 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1286446514 GYMKDVDZLNNDHT-KKSFZXQISA-N 435.525 1.197 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCOC2)CC1 1286488784 UDPPIRXGWFILTL-MBSDFSHPSA-N 445.564 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](F)COC)CC1 1286489491 VCHLMAZQMYYWAQ-INIZCTEOSA-N 434.903 1.944 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1 1286546806 LQYWGWOYQZETMN-JQHSSLGASA-N 439.582 1.652 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2C)C1 1286788436 WLTBHONRNBDCTB-ZWKOTPCHSA-N 443.573 1.785 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286790763 OSHSCUNHYSSEGS-HZPDHXFCSA-N 445.593 1.491 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1286960092 CCIWKFDRKVNBER-NSHDSACASA-N 444.359 1.571 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CC2)CC1 1288013812 FTRQIHPIXDDIIM-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1291317485 PRFSMOYKLDRAQW-LZICOFPGSA-N 437.504 1.870 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1300308931 RFOBQZSQDLBDGN-SJORKVTESA-N 446.577 1.442 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1300364886 OKMCFKUJZSHCCO-SFHVURJKSA-N 435.550 1.952 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1300394154 MPKUEGVZNGCKCW-INIZCTEOSA-N 442.549 1.594 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1300410727 PYVUSRWFSPFHES-HUUCEWRRSA-N 433.500 1.666 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1300503551 DNNPXESACGQTHZ-SJORKVTESA-N 446.529 1.281 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1300665505 KKZRDIJQMVXVQO-FQEVSTJZSA-N 437.548 1.627 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN(C)C(C)C)CC1 1300685063 FPXKOUYXTZXNKY-QHCPKHFHSA-N 432.613 1.804 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1300756232 JFWMFFUTEIKJCB-DLBZAZTESA-N 428.566 1.645 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCOC)C1 1300843703 HYUUBVSXMPGNHO-KBPBESRZSA-N 428.331 1.770 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1301458629 DDJJAZPQEIVICW-SFHVURJKSA-N 435.594 1.841 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1301499233 AJVPIHNFYJAVMY-LJQANCHMSA-N 435.532 1.673 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1c(C)noc1C 1301510380 WGUDSHXFNASFHA-UHFFFAOYSA-N 443.533 1.813 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301578138 SMICXSXTQGIZHR-KRWDZBQOSA-N 449.558 1.041 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1302212010 NNPSFRGRQIZYAL-LJQANCHMSA-N 439.520 1.426 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1303933247 HRFYLHTXXYOFQT-YWZLYKJASA-N 434.566 1.369 30 10 IDEE C#CCC1(NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CCOCC1 1309872291 PRIQLQZTXRAYJZ-UHFFFAOYSA-N 442.335 1.490 30 10 IDEE N#C[C@@]12CN(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)C[C@H]1CS(=O)(=O)C2 1312593746 CBJUSOIXINIUQR-KXBFYZLASA-N 438.937 1.256 30 10 IDEE C[C@@H]1[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1312893562 CPGPIRFSVTZGQQ-NXEZDXNNSA-N 426.539 1.354 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1314818787 UHAFMFHHJFCCQJ-QTIQAUKSSA-N 430.509 1.519 30 10 IDEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1315818678 IXVHUSCRFUUNSX-SCLBCKFNSA-N 439.492 1.665 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 1339031448 FIYSWBSVUYMXCY-UHFFFAOYSA-N 443.529 1.529 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccccc2)CC1 1359028885 ICVMYPJKSNKDMX-SFHVURJKSA-N 430.578 1.276 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359077703 JGCBYUILUVPBMD-STQMWFEESA-N 437.360 1.534 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC 1359109070 OCMOXXQZCYJYEC-UHFFFAOYSA-N 441.579 1.300 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359296449 JSTDJVVGRPMVKJ-KRWDZBQOSA-N 439.520 1.296 30 10 IDEE N#CCCN(C(=O)CCC(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1)c1ccccc1 1454452155 ZVIZWJOSKGUODP-HXUWFJFHSA-N 446.573 1.435 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1454712712 MRSZMKCZOFNJEQ-CABCVRRESA-N 446.957 1.618 30 10 IDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1456988291 ZQABTXUATCKZCN-AMGRQBIBSA-N 436.509 1.387 30 10 IDEE C=CCN(C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@@H](C)COC 1467766188 LIUKXJHYKNPQMQ-KRWDZBQOSA-N 425.551 1.581 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCC2)CC1 1471450943 LSFDSGCACRHBIE-QGZVFWFLSA-N 442.582 1.072 30 10 IDEE CCOc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(OCC)c1OCC 1472371958 ZKRUMURXJYNTIT-UHFFFAOYSA-N 428.445 1.714 30 10 IDEE C=CCCCN(CC)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1475838725 LHFOVGNIYRYIRX-MRXNPFEDSA-N 429.564 1.972 30 10 IDEE CN(C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1503404725 OJWSMIVHCWAVHU-NRFANRHFSA-N 449.559 1.973 30 10 IDEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1504262074 GJRBUVAZOQWAES-MRXNPFEDSA-N 449.471 1.720 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCOC2)CCO1 1505321368 PAAPMEWWRQJMOO-IAGOWNOFSA-N 441.492 1.097 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1507531773 DAWVBGUCHGKZBA-IRXDYDNUSA-N 436.516 1.938 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1507622418 IUCLGZAUOMAJBX-KRWDZBQOSA-N 447.561 1.750 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1507668898 FHBCELVQFCQITD-NHCUHLMSSA-N 440.569 1.901 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507811299 PODYIXNJBULCNY-QSNWEANLSA-N 433.553 1.612 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1507832092 MBVFJIGVZVJHEP-KRWDZBQOSA-N 434.566 1.683 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508163218 VMTVCKMAPPCOSR-HOTGVXAUSA-N 429.612 1.467 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1512362980 RYGQCNOKXRNPIQ-AOMYARPXSA-N 427.509 1.129 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1515953579 FAVHJSDAHMXNLJ-INIZCTEOSA-N 439.568 1.941 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1516954251 RHUNKQRFHKHWTC-UHFFFAOYSA-N 445.531 1.802 30 10 IDEE CS(=O)(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519519691 CSQGWGMWDZXAOY-QGZVFWFLSA-N 445.549 1.158 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCNS(C)(=O)=O 1539161205 CYVDZRJWKUSXND-UHFFFAOYSA-N 444.330 1.855 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1539216491 SUFVAHULXSEQNO-QGZVFWFLSA-N 444.586 1.918 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539222083 SVNDSBXHSDTHEQ-WMLDXEAASA-N 447.586 1.528 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)CC 1539390629 TUSJAWKCDFIFKK-UHFFFAOYSA-N 430.509 1.892 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C(=O)NC)c2)CC1 1539467567 VKMYSYCLSVFZFK-UHFFFAOYSA-N 436.560 1.949 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1539541941 POXICHBESRQVLG-FYYLOGMGSA-N 445.564 1.593 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1539674251 OUASQUVXNQAOAZ-OAQYLSRUSA-N 444.561 1.469 30 10 IDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)COC)CC1 1539990484 LHNLZDPECCXOMM-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1)C1CC1 1540107604 BWUQBPSXASVGKK-GOSISDBHSA-N 433.534 1.520 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)COC(=O)N4)CC2)cc1 1540728694 QZFVRICRBOEGRU-UHFFFAOYSA-N 426.454 1.767 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861356 NGMHWRABIVICDR-XMSQKQJNSA-N 434.585 1.541 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2OC)C1 1540881891 VVQBQZPSOMIVMN-OAHLLOKOSA-N 431.541 1.550 30 10 IDEE CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1546850302 GVQQGZMWMWYDGC-QFIPXVFZSA-N 439.520 1.487 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1548314267 AORXIXDKBLTDTK-SFHVURJKSA-N 433.534 1.493 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCS1(=O)=O 1555557781 CKXRPHLSQKBUJL-DLBZAZTESA-N 425.555 1.853 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)CC1 1584999980 IAEMRDOMIABZRW-CEXWTWQISA-N 432.565 1.306 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(C#N)nc1 1585725397 IJCUAHINOWUBGC-HOCLYGCPSA-N 440.422 1.876 30 10 IDEE Cc1nn(CC(=O)Oc2c(Br)cc(C#N)cc2Br)c(=O)n1C 1585974942 TXORQAJXIDLTPN-UHFFFAOYSA-N 430.056 1.893 30 10 IDEE Cc1c(C#N)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)nn1C 1586036797 FHNBHTYGTPZMMC-UHFFFAOYSA-N 426.296 1.622 30 10 IDEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1587827008 BLDSAETZWFSAEB-UHFFFAOYSA-N 433.520 1.256 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1588040561 OKKLKTAVDYELCY-HNAYVOBHSA-N 436.559 1.341 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588045018 FNRHYPNPZQLXLO-GUNSETOZSA-N 449.602 1.212 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1588049110 AHNIGDBFMAUSRG-OXQOHEQNSA-N 448.618 1.337 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1588637718 JUWVHXYVYMOPPG-QAPCUYQASA-N 439.516 1.696 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCCN2CCC[C@H]2CO)CC1 1588800694 MVOLGFBTPRSPJF-FQEVSTJZSA-N 425.581 1.276 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1589381437 BVVINUJIVGVZKH-UHFFFAOYSA-N 443.371 1.991 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595477261 SMPKKFNLYWDWTH-JKSUJKDBSA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cnccn1 1595545580 YVQIAWCTOOKJEQ-UHFFFAOYSA-N 448.535 1.181 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1596812822 BVMPUIQSKDJIAG-AWEZNQCLSA-N 436.476 1.049 30 10 IDEE CS(=O)(=O)Cc1noc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1610920538 AMGLKGFHVMWRJT-UHFFFAOYSA-N 440.279 1.323 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CSCCS1 1611686161 BFTXQSJZKVWLSM-ZOWXZIJZSA-N 434.588 1.179 30 10 IDEE CCN(CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1615368125 HVXJGVILOBORJO-QIJZPMMNSA-N 445.612 1.909 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(OC)nc2OC)CCOC1 1616140191 GEWXNIJYNJBVAK-QVKFZJNVSA-N 430.509 1.987 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1635949272 WDNBQPBFVVHJOI-UHFFFAOYSA-N 445.453 1.745 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCS(=O)(=O)C[C@H]3c3cnn(C)c3)cc2C1=O 1638032692 PZKPZKDYGHCPKS-SFHVURJKSA-N 442.497 1.204 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CC2=O)cn1 1638905828 DGEGCKGCDPVFLR-ZWKOTPCHSA-N 437.504 1.252 30 10 IDEE C#CCN(CC#N)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1639282049 XRAWPBNLRONREW-UHFFFAOYSA-N 437.294 1.734 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1 1639675608 BWGGOSCXBATSEV-UHFFFAOYSA-N 435.509 1.898 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCN=[S@@](=O)(c2ccccc2)C(F)(F)F)C1=O 1643428197 BTMJWLKJKGDCRS-SSEXGKCCSA-N 446.407 1.126 30 10 IDEE C=CC[C@@]1(C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1644787983 WWQAXRFZKLVICN-KPOBHBOGSA-N 444.550 1.425 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1645837000 NHTKZZPKDCOQSN-CQSZACIVSA-N 443.481 1.433 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2 1648155965 UBWPZCGUHOIPHO-NWZZKEMCSA-N 437.562 1.951 30 10 IDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H]2CCCC[C@H]12 1659334350 RGFRVIMBPKSSLV-ZHALLVOQSA-N 429.521 1.557 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2)cc1 1682369862 YLYCLHVHZCDVTB-UHFFFAOYSA-N 435.502 1.115 30 10 IDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccc(Br)cc1 1685188655 KCDUARICBIWULQ-HNNXBMFYSA-N 441.307 1.530 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1690019200 CSINFEUMWRTEIS-JOCHJYFZSA-N 448.527 1.028 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 1690110779 ZDESJXKSCVMQEN-UHFFFAOYSA-N 433.557 1.086 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1690236856 RWJGXIDVECCIMS-UYAOXDASSA-N 444.580 1.848 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C[C@H]1O 1697065269 ILBMHATYRQGHHW-QZTJIDSGSA-N 440.504 1.092 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(=O)NC 1705525702 RQPJZZRFVZFTDW-UHFFFAOYSA-N 431.566 1.532 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1705561396 PTYXOHFTCLOFDP-OAQYLSRUSA-N 443.573 1.094 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1705571583 BVBMWQXZBSMLHW-FQEVSTJZSA-N 448.527 1.655 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC(O)CC1 1705578056 DIJJCEKZSUJPHC-UHFFFAOYSA-N 435.528 1.636 30 10 IDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1)c1ccccc1 1705742888 IENJNENUFQOBEP-SFHVURJKSA-N 447.561 1.550 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705902784 JQJDDVWBKNFGLX-OAHLLOKOSA-N 444.496 1.421 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705931977 HAXDGMYPMFFHLL-UHFFFAOYSA-N 449.581 1.163 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705932756 YUZOWEXGSYCORW-UHFFFAOYSA-N 444.561 1.436 30 10 IDEE CC[C@@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708562337 NUSQIDODMJOCNE-OSCRUYLVSA-N 444.536 1.704 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1711027917 FWCZRINOSRXCRV-KRWDZBQOSA-N 444.517 1.282 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1712183394 ONCDJXMVSMBIDC-PVAVHDDUSA-N 431.424 1.827 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1722317930 YQWOBVHQMKWTBP-QGZVFWFLSA-N 425.555 1.725 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1722351171 HUICVAHGAPHIBU-AEFFLSMTSA-N 433.534 1.148 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1722369481 ZUWSLXHFNFKJRB-ZWKOTPCHSA-N 445.545 1.598 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1722371270 IKOLJXCKYJYVLN-INIZCTEOSA-N 439.607 1.169 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1722384107 UFTNJJAIUPBZEI-GOSISDBHSA-N 427.530 1.485 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCC(=O)NC 1722386691 HSGXMKFTHUDRFV-UHFFFAOYSA-N 430.306 1.829 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCSC)CC1 1722438562 ZDYKTKWHVZVRMT-UHFFFAOYSA-N 440.621 1.960 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722532216 GBQYFDHJQGBRFU-MOPGFXCFSA-N 432.569 1.371 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(C)C)C1CC1 1722651651 XKBUHHYXKAHHFL-KRWDZBQOSA-N 426.587 1.106 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2CCCO2)CC1 1722702121 DRFRZMGUCWCGDE-NSHGMRRFSA-N 433.553 1.700 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722754323 FXOJALHFYYTOSP-BSBNDGSWSA-N 441.536 1.377 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1724017627 CXUHHUIGRNOBIE-IERDGZPVSA-N 442.545 1.343 30 10 IDEE C[C@@H]1CCCC[C@@H]1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1726531178 GCPVMRFBVYWGND-XDNAFOTISA-N 437.566 1.504 30 10 IDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1730537577 PGPILWVGAMYVDA-UHFFFAOYSA-N 428.474 1.234 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@](C)(O)c1ccco1 1730871671 VPGFHLQKNWZAOG-RADWXHQJSA-N 444.536 1.679 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622682 GOHMGVCROHFTTG-QGZVFWFLSA-N 429.546 1.580 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740655108 YAFKHHHTGTWASI-QFIPXVFZSA-N 447.587 1.670 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1740688786 JPCCZNVDJWKBOX-UXHICEINSA-N 428.581 1.721 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 1740753069 FGYOQBGJGJLFAV-LPHOPBHVSA-N 445.545 1.266 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740823898 QLWPDNRZJVEOBA-SFHVURJKSA-N 429.546 1.979 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740943174 UVKBKYYDRLBDIK-UHFFFAOYSA-N 436.476 1.807 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1741271088 YCYJYZNYWOEWHR-UHFFFAOYSA-N 426.521 1.520 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1742022477 DAKSSMXBMZQKRU-UHFFFAOYSA-N 434.504 1.901 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)C[C@H]1O 1748333962 QGARALFKLLDZFJ-IAGOWNOFSA-N 449.458 1.849 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@@H]1C 1748353246 RCIDMYIZJBMNSV-HNNXBMFYSA-N 426.477 1.531 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1748666626 FFAWKZTUOWSDSY-QUCCMNQESA-N 436.564 1.294 30 10 IDEE C#CCCCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1748753307 DNFMPHSFHSIJAU-UHFFFAOYSA-N 428.581 1.830 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1748864509 YLHIPMULTRKZEZ-AEFFLSMTSA-N 427.530 1.355 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1748945143 LTLQJGHPEYMMJX-GCJKJVERSA-N 426.496 1.075 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCCCO1 1748956250 ARLBMFHCAFADOS-FQEVSTJZSA-N 436.520 1.966 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NCc2ccco2)CC1 1748995033 WSAVGKJOZBGCDR-UHFFFAOYSA-N 448.527 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1749004442 IZMOKRJKRIFOAV-UHFFFAOYSA-N 443.573 1.819 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749039656 YGOKLYVEKMCUNC-GOSISDBHSA-N 432.594 1.287 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749214513 ZCHNMKGZFWCCOY-IKGGRYGDSA-N 426.587 1.154 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749220302 DNKQUDJRPKWZLJ-UHFFFAOYSA-N 443.552 1.050 30 10 IDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1749244074 DXNASXWACCCODY-KRWDZBQOSA-N 430.534 1.024 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(CC)(CC)OC)CC1 1749303824 PYDYCONIJCGJSA-QGZVFWFLSA-N 441.598 1.973 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749456431 FJFMVFHSGZNOKS-MRXNPFEDSA-N 432.525 1.633 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1749669330 GWYGTSJIUYPHDP-ROUUACIJSA-N 432.569 1.955 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(CC)C(=O)C1 1749678220 ZPHPAJKBKWHMEL-UHFFFAOYSA-N 426.521 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(CC(N)=O)CC1 1749729844 UKRFJPZCJXFJHF-UHFFFAOYSA-N 431.562 1.946 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1750101091 NERKMHJHOXLYQH-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1752191410 BOTKNYLJWPNDHS-INIZCTEOSA-N 430.534 1.753 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nnn(C)n1 1760244708 DQFOKVWNIWACNE-CQSZACIVSA-N 426.550 1.789 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3c(s2)C[C@H](C)CC3)CC1 1760252243 OEQYGEFPGWHIHH-MRXNPFEDSA-N 441.605 1.801 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760278714 DZPJGSVQNOGHMB-KRWDZBQOSA-N 441.561 1.417 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1760464757 OGBGKQRJUVAJKY-LBPRGKRZSA-N 429.344 1.462 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760511932 QQRNCOPGONRWHF-GOSISDBHSA-N 436.564 1.739 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1760804829 AKCOZZGIJBHBNF-SSEXGKCCSA-N 430.534 1.212 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CCN1CC(F)(F)F 1763077337 GTCDOGRZGRBYBQ-CQSZACIVSA-N 435.454 1.978 30 10 IDEE Cn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)c2ccccc2c1=O 1767526672 HBTVHGDMFHUFTM-OAQYLSRUSA-N 441.467 1.033 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1(C)C 1769117241 YXUIQHVWDQZQSO-AUSIDOKSSA-N 440.548 1.657 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1770646633 KUCVACILHWZMFO-WPGVHLAOSA-N 430.509 1.170 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cccc(-n3cnnn3)c2)cc1 1852217362 LOUWGSXFHSLIHW-NRFANRHFSA-N 434.456 1.471 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1 1852535373 ZKYORNWTJYVZHS-OAQYLSRUSA-N 448.527 1.708 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1855427142 KJHGZBIGUJFXOH-LSDHHAIUSA-N 431.514 1.529 30 10 IDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(C#N)c2)C(=O)[C@H]1C 1856881589 RPLSQFOQTXLPBX-OAHLLOKOSA-N 427.482 1.937 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2C1=O 1870154432 YRNMHBRJXCGHEM-RUDMXATFSA-N 443.379 1.925 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1879109239 MAGAYOFFKKUIQB-GOSISDBHSA-N 448.369 1.920 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060640842 ZNSRMELZKCVINW-UHFFFAOYSA-N 430.274 1.520 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C1COC1 2085655537 YLSRVEMNYVQGNZ-INIZCTEOSA-N 433.314 1.859 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124542267 BNGVZPNFBSRGSQ-UKRRQHHQSA-N 448.329 1.644 30 10 IDEE C[C@H](c1nscc1C#CCN)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186578435 SSQKBTPSQWKAKM-CQSZACIVSA-N 446.554 1.462 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2248403448 GOQUXKMWTXRRDV-GFCCVEGCSA-N 441.721 1.858 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2255611228 RXMJMAJFQDURDP-UKRRQHHQSA-N 434.346 1.845 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255644211 GTERKVDOFXCBDK-YEJXKQKISA-N 430.314 1.515 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1 2255839805 ZCDDLKNYHSFBTE-ZDUSSCGKSA-N 435.334 1.147 30 10 IDEE C[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)Cc1ccccc1 2255877464 YPHUWAVAWXKDTE-MRXNPFEDSA-N 427.358 1.755 30 10 IDEE Cn1ncc(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2267496549 BIMNNDSCIFGYBY-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267536132 HADKPKDVDOBUCR-SOUVJXGZSA-N 446.357 1.705 30 10 IDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCC23OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2267708433 JQBKOKDZTFWBLL-CYBMUJFWSA-N 429.369 1.930 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@@](C#N)(C2CC2)C1)NC(=O)OCc1ccccc1 2286039362 MVRXRBCGXOVXHF-PXNSSMCTSA-N 435.502 1.410 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2317677460 VQTLXVHVOSBTLI-INIZCTEOSA-N 435.330 1.650 30 10 IDEE Cc1cc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320564470 MBHQCJXXGXWDJK-KRWDZBQOSA-N 434.342 1.796 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 29703245 KJTJKQHXMINZLO-NRFANRHFSA-N 448.011 1.513 30 10 IDEE Cc1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)[C@@H](CCCN=C(N)N)C(=O)O)cc1 55161810 SYEJEDZKIDCORZ-AWEZNQCLSA-N 428.511 1.428 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)OCc2ccccc2)n[nH]1 59887938 HQAVTXXMTDDNDI-KEBDBYFISA-N 429.506 1.892 30 10 IDEE CC[C@@H](O)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 96031654 OBFKEHNWUXWRPI-XEFUZICDSA-N 446.540 1.688 30 10 IDEE in-vitro COc1ccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)c(Br)c1OC 169883698 YCVRORLZGVDWBA-IDUWFGFVSA-N 443.279 1.606 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCO1 409595377 MFXRJNBHJMMJBX-KRWDZBQOSA-N 432.468 1.729 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431217763 JPVFEIIUCHHALQ-UHFFFAOYSA-N 433.599 1.944 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 460547050 MBKYCDUSTGZKMT-HZPDHXFCSA-N 429.612 1.909 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)C1=O 474280948 ZFSHVTZYFNOKCG-UHFFFAOYSA-N 438.362 1.443 30 10 IDEE CN1C(=O)N(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)C12CCCCC2 485991578 QTWFBXURELCXTP-SFHVURJKSA-N 437.500 1.372 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(N4CCCC4)nc3)C2=O)cc1 505278986 BRMMPNXNPGHOTH-IBGZPJMESA-N 432.484 1.804 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1 505891341 KYGIUKPEROYTSY-UHFFFAOYSA-N 440.485 1.929 30 10 IDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508885738 STDHMUZGIVNQSO-UHFFFAOYSA-N 446.533 1.958 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc([S@](=O)CC(=O)NCc2cccc(C#N)c2)nc1 521707564 CTWGFEOQSNBXHB-MUUNZHRXSA-N 434.543 1.408 30 10 IDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 522232270 LANDTRQGQCIGBB-UXHICEINSA-N 447.495 1.579 30 10 IDEE CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)[C@@H]2C1 537243200 NVTDUTDWUGAYBX-YSFYHYPLSA-N 430.524 1.803 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCCO2)c1=O 557725202 LWHDSOBYRZKQOM-IBGZPJMESA-N 437.565 1.959 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)c(F)c1 586860490 HMXHVBNRWPZWSF-UHFFFAOYSA-N 443.523 1.154 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 603797337 BWPVERROZJOKKO-QGZVFWFLSA-N 429.517 1.647 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCCC[C@H]3O)nnc12 607137095 IMYRXSOQXNUOEQ-WMLDXEAASA-N 427.530 1.990 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1-c1ccccc1C 609074621 JNPSTHCIAJBPTE-UHFFFAOYSA-N 429.423 1.874 30 10 IDEE CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc21 609255619 GJFNWDHFOYDUIC-UHFFFAOYSA-N 425.420 1.422 30 10 IDEE CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732468173 FKOFZICATULVLY-MKSIGINJSA-N 426.521 1.604 30 10 IDEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1C(=O)N1CCSCC1 732707259 YITQFRISWFDLNK-KRWDZBQOSA-N 441.557 1.321 30 10 IDEE C[C@@H](CS(C)(=O)=O)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 733202198 PAHNDDQYXGJTOB-XHDPSFHLSA-N 427.523 1.859 30 10 IDEE C[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1cccc(C#N)c1 746749992 OOIRULBENBXPFW-LHSJRXKWSA-N 446.463 1.904 30 10 IDEE CCc1c(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754352074 XDKTYKOSAUOQKA-KRWDZBQOSA-N 436.424 1.137 30 10 IDEE C#CCN(C(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[C@@H]1CCS(=O)(=O)C1 760146213 VXENYRDREBKSIX-OAHLLOKOSA-N 439.534 1.181 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCN(c2cccc(C#N)n2)CC1 761228822 MTVWKPMFIRLVQE-INIZCTEOSA-N 434.953 1.793 30 10 IDEE C#CCN(C(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774182670 YNSGMBASXMJICE-OAQYLSRUSA-N 432.590 1.421 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)ccc1F 777312401 BGLCLUMFPOSQCY-IAGOWNOFSA-N 427.567 1.942 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)C(=O)C1 777394333 ZXHONPWNNAJBCD-UYAOXDASSA-N 442.516 1.662 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3cccc(C(=O)OC)c3)cc2C1=O 789577435 IMTNLVIZOZRTLK-UHFFFAOYSA-N 442.449 1.515 30 10 IDEE C#CCN(C(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 806468648 DSOFIMTXRLKBCY-HLLBOEOZSA-N 428.518 1.884 30 10 IDEE COC(=O)/C=C/c1ccc(OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 863861515 ZWUNIDLLBLTEJN-CSKARUKUSA-N 430.438 1.526 30 10 IDEE C=CCO[C@H]1CCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1116611284 YWQPYHXCJJYPGY-SFHVURJKSA-N 432.546 1.873 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCS(=O)(=O)CCc2ccccc2)c1 1139005192 KIIISPLPQNUFMB-UHFFFAOYSA-N 438.502 1.510 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)c1 1147751678 FZUMSZHLBQYXLO-HNNXBMFYSA-N 445.472 1.533 30 10 IDEE Cc1ccc(C(=O)N2CCC(CN=S(C)(C)=O)CC2)cc1S(=O)(=O)NCC#N 1156189001 AGGZIYOZISDLCZ-UHFFFAOYSA-N 426.564 1.377 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)CC3(CCOCC3)C2)CC1 1175651270 LNOVKDOVELJEGH-LEWJYISDSA-N 430.524 1.398 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F 1195262201 YZAMLMUQNHFVEW-UHFFFAOYSA-N 431.555 1.696 30 10 IDEE C[C@H]1CC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CS1(=O)=O 1252736103 HJUKMNBMVZLTEO-KBPBESRZSA-N 433.490 1.604 30 10 IDEE CC(C)(C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 1264557388 GQXPHIONAFYKAF-UHFFFAOYSA-N 441.557 1.499 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 1264635103 WKBZKGXYGKBXGI-MJGNJUIGSA-N 439.559 1.794 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1286274780 PAVGKMWQTIYXBM-HZPDHXFCSA-N 441.561 1.795 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286386889 IZVJGBHUMRCIBS-QGZVFWFLSA-N 442.570 1.974 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286480915 QYPWKPHAQHNRNZ-RBUKOAKNSA-N 444.580 1.937 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286499988 MWJIUILACXHMMW-MRXNPFEDSA-N 442.545 1.543 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286556950 SFDVFIVLOSXQJM-UHOSZYNNSA-N 426.521 1.581 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1286582162 SGJPZUXPLGLECL-QZTJIDSGSA-N 441.598 1.973 30 10 IDEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1286611993 UKSNXJCMRSADKM-UHFFFAOYSA-N 434.562 1.899 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286714727 UXYXWJNGKDRTEZ-MRXNPFEDSA-N 431.497 1.263 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(CC)[C@H](C)C1 1286792582 CJJPBTULUZEWAO-QGZVFWFLSA-N 428.537 1.698 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)OC1CCCC1 1286820741 QKXISRWJWQGOAJ-AWEZNQCLSA-N 432.568 1.091 30 10 IDEE CC(C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287667722 SLRRZLMTHZUSLY-IBGZPJMESA-N 429.569 1.640 30 10 IDEE CN1CCn2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2C1 1288138179 WISWMSWZXOKLJD-UHFFFAOYSA-N 428.518 1.240 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2c(F)cc(C#N)cc2F)C1 1288730709 LZZHSNJZUOTVBA-ZDUSSCGKSA-N 443.472 1.990 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4n(c3C#N)CCOC4)C2)s1 1289683038 GSQMLBHNJXDOPH-CYBMUJFWSA-N 435.531 1.694 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1295812969 HTPNUODOSAMETK-HNNXBMFYSA-N 441.509 1.697 30 10 IDEE CN1C[C@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1296993952 GAUZQSMBWLJSFZ-MRXNPFEDSA-N 427.505 1.543 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1300307525 GBZRARBSGFPVCB-PBHICJAKSA-N 425.518 1.472 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300381522 SWKNAWUQUUFFJI-QFIPXVFZSA-N 440.935 1.991 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1300430223 KADSBVQJMMCMLN-ZDUSSCGKSA-N 427.477 1.916 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 1300484015 NYFOVJOLTBBCBB-KDOFPFPSSA-N 430.530 1.594 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1300502987 ZMYCTQSSIWRRMK-HXUWFJFHSA-N 436.541 1.642 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300700672 UGXCBBMWXKILHJ-RTWAWAEBSA-N 430.597 1.284 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(CC)(CC)OC)CC1 1300710525 DYJZWFNZCVOUMO-UHFFFAOYSA-N 444.580 1.685 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C)n(C)c2=O)CC1 1300732827 PVRLYMJWEFWBKG-LJQANCHMSA-N 438.532 1.151 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2Cl)CC1 1301496424 ACVYIMUIQLCNTK-UHFFFAOYSA-N 440.939 1.961 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nncn2-c2ccccc2)C1 1301535462 LDAKJYPOEBHAOA-SFHVURJKSA-N 436.520 1.827 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 1302362789 MUTWFARYWRWIGC-HXUWFJFHSA-N 430.486 1.393 30 10 IDEE N#Cc1ccccc1N1CCCN(c2nnc([C@@H]3CCOC3)n2CCOCCCO)CC1 1302999857 DRFQVORCOUNWJB-HXUWFJFHSA-N 440.548 1.769 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 1305141752 DHQDDJUQKIYWAZ-NUJGCVRESA-N 444.561 1.712 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1305791470 NLEPCPYLAZCYGF-ZBFHGGJFSA-N 449.556 1.838 30 10 IDEE N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)c2sccc12 1307382744 LFGOSCJQKZWVEH-UHFFFAOYSA-N 442.522 1.468 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC(=O)NCC23COC3)n(Cc2ccc(F)cc2)c1C 1308054470 JQQMSPAGJOFIQE-UHFFFAOYSA-N 425.464 1.303 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CSCCS2)CCO1 1316535048 CIUJPAOFOABNOJ-ZIAGYGMSSA-N 431.547 1.503 30 10 IDEE NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)C1 1318818475 FCMUBTOKLQUGNN-BLRPHQBRSA-N 425.489 1.239 30 10 IDEE NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)C1 1318818478 FCMUBTOKLQUGNN-UMIVRTMYSA-N 425.489 1.239 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358955746 SOZAIRYCBKBTBB-CQSZACIVSA-N 447.483 1.483 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1359041137 OESHGJLQFCRWHU-UHFFFAOYSA-N 438.532 1.068 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCOC1 1359090795 GJVBIEJKDXFSGL-TVFCKZIOSA-N 441.598 1.732 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359182913 XQJXJMVBNVLNJF-UHFFFAOYSA-N 438.598 1.588 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359298577 DWVRLLOLQAWWCY-INIZCTEOSA-N 449.515 1.994 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359301905 PAGNLNQRNBBDAB-JPYJTQIMSA-N 425.533 1.864 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCOC1 1360324972 VSMUFWFSINXPQP-GOTSBHOMSA-N 441.532 1.978 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(O)cc2)CCOC1 1360348044 RLILWIROPPJHAB-DENIHFKCSA-N 427.505 1.996 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3c(C)nn(CCCC)c3C)[nH]n2)CC1 1443359630 XXSHOIXYHYNLMF-UHFFFAOYSA-N 439.564 1.587 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1448303834 SWBDVZYWFQWXJZ-FQEVSTJZSA-N 437.497 1.457 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c1 1465236849 CSNXUVCTNADLFG-UHFFFAOYSA-N 426.494 1.032 30 10 IDEE CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1466254759 MMLDJQODVMNFTF-JXFKEZNVSA-N 438.532 1.673 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 1470343905 RTPHPELOZXWHND-UHFFFAOYSA-N 433.516 1.578 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1503240379 ZQSRHQBZHQFGES-BTYIYWSLSA-N 444.561 1.554 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCCNS(C)(=O)=O)c1 1507550656 NYJRLESQCZBJKH-UHFFFAOYSA-N 444.561 1.541 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC)C(=O)C1 1507563285 UTJNAJNCZLZQQI-UHFFFAOYSA-N 433.520 1.783 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507630860 IYTQBKCWBMDZQO-CYBMUJFWSA-N 442.467 1.950 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1507631626 RFEKZUOVRJIVAE-GOEBONIOSA-N 438.504 1.741 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507638389 DYZURLJLMWZKGM-KRWDZBQOSA-N 432.546 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccc(C)cc2)CC1 1507722340 UVZGGWYARGVRRZ-MOPGFXCFSA-N 444.605 1.756 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC(O)CC2)CC1 1507733500 ASDDPEBNSWIKBJ-UHFFFAOYSA-N 430.597 1.388 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](CC)N2CCCC2)CC1 1507737958 DWVWXOLQFGXFPR-PMACEKPBSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOCC(F)F)CC1 1507739670 TUHVSIPOGPWZFX-INIZCTEOSA-N 425.480 1.420 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 1507746093 KRPWMSXNPYANQT-CYBMUJFWSA-N 442.998 1.940 30 10 IDEE C=CCCOCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OCC)CCOC1 1507966811 XHKSKVGDSDAWDR-QFIPXVFZSA-N 433.553 1.629 30 10 IDEE C[C@@H](N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1)C(F)(F)F 1510142496 IOIATBGUSZVBSJ-IUODEOHRSA-N 437.426 1.815 30 10 IDEE CO[C@H](CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1517806973 ZKJHUGSNZDQYSX-HUUCEWRRSA-N 427.431 1.836 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(Cn3cncn3)c2)c1 1518825054 HAFWFAIOBREAPS-UHFFFAOYSA-N 429.480 1.813 30 10 IDEE CS(=O)(=O)CC1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1 1529087716 UBEXABOGIGSNMM-MRXNPFEDSA-N 432.502 1.094 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539229678 GRNYYGDQYARDPN-DENIHFKCSA-N 430.574 1.851 30 10 IDEE 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C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(=C)Cl)NC(=O)OC(C)(C)C)CC1 1627014939 HAAZABNWBCEXOB-INIZCTEOSA-N 426.945 1.306 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 1631272743 XFEZCYABOPFPFN-CQSZACIVSA-N 443.344 1.876 30 10 IDEE CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)no1 1634306997 LCRYJFMMYRNHGS-UHFFFAOYSA-N 449.508 1.761 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1636007978 DAUIMOOINBXBDU-AOMKIAJQSA-N 428.489 1.399 30 10 IDEE C#CC[C@H](CO)NC(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1637985407 ADLCTGUOJXNOJZ-GFCCVEGCSA-N 437.543 1.593 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1644649015 LKDMKDIUOHJJRA-UHFFFAOYSA-N 426.457 1.730 30 10 IDEE C[C@@H]1Cn2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2CN1C(=O)OC(C)(C)C 1648155400 FBRDVWGXXZITSR-LAPQFRIASA-N 449.533 1.033 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1651805925 XKHVWTZITGJRND-MRXNPFEDSA-N 427.567 1.015 30 10 IDEE CN1C(=O)c2ccc(NC(=O)Cn3cc(C#N)c(I)n3)cc2C1=O 1652060754 IQCZEVYZYGZCBT-UHFFFAOYSA-N 435.181 1.224 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1678722849 VOJHVNOUVXWPOZ-UHFFFAOYSA-N 427.445 1.287 30 10 IDEE C[C@]1([C@H]2CCCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)COC(=O)N1 1682226618 NJJNCRGOHNNDMD-NPPFBWRTSA-N 425.489 1.579 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689986247 LRXDTWRXFQIZLG-QGZVFWFLSA-N 438.513 1.047 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C1CC1 1690013594 VSVBNXJNRFKJET-QGZVFWFLSA-N 439.589 1.794 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1690015729 WEZPVEKORXBQHU-XLIONFOSSA-N 432.528 1.879 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690022452 FUWCSJWFSXPEHF-GOSISDBHSA-N 441.557 1.232 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690067732 IMWVPEUNQHREDV-INIZCTEOSA-N 447.561 1.703 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1690205971 DGNPDJXMKIXYQE-FRQCXROJSA-N 440.591 1.140 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690485102 LQMVXSHHRYPPNA-RDJZCZTQSA-N 449.581 1.721 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690511135 QQBBZIVVRVTRCH-RXVVDRJESA-N 443.596 1.889 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690511811 BHHRIADAQVRHRM-MHORFTMASA-N 435.525 1.530 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1690526678 BSZDAMFGEWJKTC-GFCCVEGCSA-N 427.449 1.160 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)NC 1690561200 HCCVNTTYHYYEKR-UHFFFAOYSA-N 432.550 1.256 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690644441 LHRIVEXZYSFKTA-CEXWTWQISA-N 442.545 1.541 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690659189 MHUKODPXTSWVRC-TZMCWYRMSA-N 446.474 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1690665969 VKYZDBPVLWRNTF-OAHLLOKOSA-N 442.520 1.322 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1690717432 FTGADNMUZZZGHO-UHFFFAOYSA-N 442.545 1.380 30 10 IDEE CCS(=O)(=O)NCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1696505046 GOHMFKNCKGVOBZ-UHFFFAOYSA-N 446.581 1.108 30 10 IDEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1696772987 AFRMTGJXVJMQSG-QGZVFWFLSA-N 443.451 1.755 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1696891558 DKWHDKPCCGHVLS-UHFFFAOYSA-N 425.537 1.940 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1698200793 BBCDJZSLBCYMDO-HXUWFJFHSA-N 427.505 1.864 30 10 IDEE CS(=O)(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1698304723 CLACAXIVZRMMFH-FGTMMUONSA-N 442.545 1.407 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1705489521 QOLIOILIAYZILY-QXAHSBQVSA-N 427.553 1.406 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705514198 NJHFGQFXPFOQDV-UHFFFAOYSA-N 425.537 1.557 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1705522810 MPADEUUHUBDUNX-WOJBJXKFSA-N 429.613 1.825 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705533669 QHDOVWRSVICMDN-RTBURBONSA-N 441.580 1.166 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1705564642 BYDHEQKZCUPWGB-CYBMUJFWSA-N 447.471 1.676 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1705587019 FJNPLIJNHFECIT-IEGUWTFLSA-N 443.548 1.963 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1705640727 CDCYDYFIGPQZPW-HXUWFJFHSA-N 436.560 1.547 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@@H]2COCCO2)CC1 1705643497 IFUDYZPXVHTJAV-VAMGGRTRSA-N 431.581 1.757 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705744356 AFJJGPDQROPQDB-OAHLLOKOSA-N 425.965 1.206 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cncn2)C1 1705920054 PBIOUOXDZRGKSE-QGZVFWFLSA-N 443.533 1.422 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(CCC)C(=O)C1 1705932188 OMYMJLIZQGQTLE-UHFFFAOYSA-N 432.550 1.390 30 10 IDEE CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706239810 MHMXCCOSOGKKAU-SFHVURJKSA-N 439.520 1.827 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1709906360 ZMQJCDWQZXMZNH-JKSUJKDBSA-N 449.556 1.803 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1722365184 LRPQNGUKQYVYOQ-GOSISDBHSA-N 443.504 1.979 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1OC 1722397501 KOBRTQJQICFTQC-UHFFFAOYSA-N 448.483 1.929 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722405451 NJHBZGPQUVGWOW-MRXNPFEDSA-N 426.477 1.808 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722412129 VVRQQDFSMUTDPT-JKSUJKDBSA-N 439.582 1.801 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC 1722426658 LVPJUFALDUBPLF-KRWDZBQOSA-N 437.541 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(O)cc2)CC1 1722448877 BPXGJRJREXSKBE-UHFFFAOYSA-N 447.543 1.859 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(N(C)C)CCC2)CC1 1722449375 QMOMEJVAOLTOBX-UHFFFAOYSA-N 435.576 1.714 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1722692561 REJKDDUIZYWPDW-KRWDZBQOSA-N 440.548 1.979 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703830 JDAPHUSMGHIOGE-KDOFPFPSSA-N 447.458 1.388 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1722738453 JSOONXUROHQVKA-IAGOWNOFSA-N 425.624 1.774 30 10 IDEE CC(C)c1nnc(N2CC(C)(C)O[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723149688 DKGNMVOJETUHPZ-IBBQJSRESA-N 444.536 1.702 30 10 IDEE C[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1726738947 BLQMNJCGSNBMRF-QBPKDAKJSA-N 440.570 1.022 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)C1 1729597338 CBTRJFMKCVDBOG-REWPJTCUSA-N 440.548 1.801 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1729670594 UYGRQIJHZMSQMG-SFHVURJKSA-N 435.532 1.694 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(C(=O)OC)CC1 1730840813 LAEBRSUENJQUNN-QRWLVFNGSA-N 438.504 1.922 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1740550489 IRTAVZQWXIKCLA-WMZOPIPTSA-N 436.564 1.825 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCN1CCN(Cc2ccccc2)CC1 1740637094 PVYJIMSNTPHCAY-UHFFFAOYSA-N 440.555 1.626 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1740640295 JZXUXCDDDMRNHE-IBGZPJMESA-N 439.541 1.003 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)CC1 1740696036 KTGWQAKJAOIEQH-INIZCTEOSA-N 447.536 1.131 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN2CCCC2)CC1 1740696312 QTKVIRCVTJTYOZ-IBGZPJMESA-N 448.637 1.057 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740834230 NYVRBKNPQWWRST-SFHVURJKSA-N 430.553 1.411 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)(F)F 1740897135 VZVOTPJWMPXQIQ-UHFFFAOYSA-N 445.471 1.539 30 10 IDEE CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1742036672 MZOJWXQCNKLGCK-NRFANRHFSA-N 427.530 1.913 30 10 IDEE Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742787594 RIMLGNUNFAVRLH-QURGRASLSA-N 436.516 1.989 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1CC 1748651009 HHCAICNOPAERDG-OAHLLOKOSA-N 442.549 1.313 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCS(=O)(=O)CC=C)c1 1748692200 DOOHUPGLRPFAPY-UHFFFAOYSA-N 427.530 1.813 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1748697094 CSKHHQCYVNXCSK-UHFFFAOYSA-N 436.520 1.723 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748820480 CLYBVKUPCIYMCW-INIZCTEOSA-N 434.591 1.650 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1748840641 DTHIKIYJXWCMQF-IBGZPJMESA-N 439.589 1.651 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1748847737 WPBJPPSDHJTYFF-LBPRGKRZSA-N 443.476 1.777 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1748945145 LTLQJGHPEYMMJX-XMSQKQJNSA-N 426.496 1.075 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCC(O)CC2)CC1 1748992871 JAWZWUCQOIQIDO-UHFFFAOYSA-N 440.567 1.610 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1(C)C 1749193084 FCHVCFXUEKVJAG-LJQANCHMSA-N 438.532 1.927 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCS(C)(=O)=O 1749256013 QWPXZLHBTBBBJD-UHFFFAOYSA-N 446.982 1.972 30 10 IDEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749408940 NVKUHKGUFRTGKZ-LJQANCHMSA-N 432.569 1.467 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749421754 PTSFRSQHTSHVMO-QGZVFWFLSA-N 428.522 1.510 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749587038 FWOCBJDHIHCJDG-FQEVSTJZSA-N 444.517 1.113 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749659998 LRXPEXRZDGSXSP-OAHLLOKOSA-N 442.520 1.322 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCCS2)C1 1749697394 JUBLANXFLYNIBC-HDMKZQKVSA-N 429.612 1.955 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c(c1)OCCO2 1750007716 LJRJNJFJRUMDKN-SJLPKXTDSA-N 443.504 1.745 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1750087993 CHUZGYZERKSMQJ-JKSUJKDBSA-N 442.549 1.756 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCSC2)cc1 1750384627 HUMICYSTBPSYIT-INIZCTEOSA-N 433.559 1.717 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOC2=O)CCO1 1750385811 AWOXBUVEBVXZGF-INIZCTEOSA-N 427.421 1.424 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(F)c(F)c1 1751215798 AWTTXSNTPKEVDG-KZULUSFZSA-N 442.467 1.851 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)F 1760176733 SAKYSWSVLCLMLW-UHFFFAOYSA-N 445.518 1.094 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1760233503 BBMNEPJYOLBXRU-FDDCHVKYSA-N 446.596 1.919 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCOC)C1 1760335716 PUWPOPCHZKZWJC-LXZJYRNTSA-N 433.553 1.842 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1760464773 OTDIRAIPJDWOKU-GOSISDBHSA-N 440.614 1.355 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(C)(C)O)c2)CCOC1 1765923575 PTNOUWFPKPNXIN-XXBNENTESA-N 441.532 1.935 30 10 IDEE Cn1cc([C@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)cn1 1769010332 AROBTZWGKMTJDL-GOSISDBHSA-N 440.533 1.441 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1772660272 XREMDKQFLJANCD-KRWDZBQOSA-N 447.561 1.517 30 10 IDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C)[C@@H]1CCN(C)C1=O 1849196816 GWZYXTGZPIRQSG-IAGOWNOFSA-N 427.954 1.888 30 10 IDEE O=C1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)N(C(=O)c2ccc(F)cc2)C1 1851677780 SRFJVIVBDNTSIE-CYBMUJFWSA-N 449.382 1.480 30 10 IDEE Cc1nn2c(C)c(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)N3CCOCC3)cnc2c1C#N 1852993170 JINWVZNKVLAVCK-IBGZPJMESA-N 448.483 1.750 30 10 IDEE N#Cc1ccc(C(=O)N2CCCC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1854906331 RMISTHGLRBAPQN-LJQANCHMSA-N 429.542 1.980 30 10 IDEE COc1ccc(Cl)cc1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857042168 SSWJWTFSGIDPEL-AWEZNQCLSA-N 439.921 1.903 30 10 IDEE CO[C@]1(C(F)(F)F)CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC#N)C1 1857332484 ZPPIUJDDEATYPR-QGZVFWFLSA-N 445.419 1.748 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862179630 PDQCSEGRAGQCLE-AEFFLSMTSA-N 427.501 1.922 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1CCOCCO 1870503840 HVLVXDKMJGVAPS-UHFFFAOYSA-N 448.545 1.505 30 10 IDEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891307753 XNCXVUPEOLJDJB-HUUCEWRRSA-N 426.502 1.574 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107462716 BJRUGUVIQRMNKC-IWIIMEHWSA-N 432.149 1.895 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2216871315 QAJOCIITBSJQFI-HPFXQQBRSA-N 437.537 1.495 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224081682 SZTLABRUKUXISD-HLLBOEOZSA-N 435.330 1.134 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248401131 FUEYBJADMDYXID-WFASDCNBSA-N 440.371 1.938 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255650374 CEALNAMLFJYXJU-DZGCQCFKSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255706011 CHDGCKOCDPTRGX-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255839159 QYYFEEQRGDTCOO-UHFFFAOYSA-N 432.330 1.977 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCN1Cc1ccccc1 2255949157 VAHPHKZGIRXSOC-QGZVFWFLSA-N 446.382 1.272 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2258230240 VVISYABKXPIQED-CYBMUJFWSA-N 429.248 1.987 30 10 IDEE Cc1ccnc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2267152939 PLJYPTIBLBZXOS-UHFFFAOYSA-N 447.341 1.713 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1O 2267290853 IQNATKYXSXPZSW-FRFSOERESA-N 449.357 1.708 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881249 YPGLXCYSAGLJTI-QLFBSQMISA-N 444.341 1.761 30 10 IDEE COC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284393953 RNRKUQICWQTPLW-SECBINFHSA-N 425.721 1.079 30 10 IDEE CN1C[C@@H](C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2319724141 LRSYEQZPVHJAIQ-GJZGRUSLSA-N 437.346 1.759 30 10 IDEE C#CC1CC(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2364209634 UZOXZCVEZWSLCT-UHFFFAOYSA-N 432.498 1.629 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 409814492 XRIAYUVHKWDTQF-RISCZKNCSA-N 436.353 1.317 30 10 IDEE N#Cc1ccc2ncc(CNC3CN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)n2c1 428423254 TXBZWFWYNQQIQV-UHFFFAOYSA-N 425.470 1.140 30 10 IDEE Cc1oc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 440582149 ULFGPPNMKZQZJJ-HNNXBMFYSA-N 448.526 1.864 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1C 462422269 SLTKIISLNYDYHK-UHFFFAOYSA-N 427.526 1.430 30 10 IDEE C[C@H](CCc1cccn1C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466125896 VVCHULWFOGRKCJ-QGZVFWFLSA-N 429.546 1.934 30 10 IDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)CC2 467832820 VBMVLEDLNLNSMU-HNNXBMFYSA-N 425.455 1.983 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 482155938 HAXYIMZZEFMFRD-AUUYWEPGSA-N 444.488 1.628 30 10 IDEE C[C@@H]1OCC[C@H]1N(CCO)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 483279544 GMVDESQKEZWYRW-SQGPQFPESA-N 430.549 1.828 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@H]1CCCO1 486846771 ZAUIOINDGSEBGU-OAHLLOKOSA-N 447.919 1.687 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCNC(=O)C[C@H]3c3ccccc3)C2=O)cc1 488261442 XGXFPHLDKYFONE-SFTDATJTSA-N 431.496 1.932 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)C1=O 511755928 SNLCPCPDCLQXCH-LEWJYISDSA-N 446.507 1.748 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@H]1CCCO1 514475350 WSAWUFDKQDGROJ-GOSISDBHSA-N 425.554 1.817 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)c1 514916490 VCHNDGBABYOGKA-GOSISDBHSA-N 425.554 1.673 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 519169870 BBPDYROFCYDJBQ-UHFFFAOYSA-N 432.427 1.602 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 523476410 NIQSXGUCRMWUMG-UHFFFAOYSA-N 440.521 1.605 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(COC)o3)c2=O)cn1 531684046 ZIUDDDNZVJJRHM-UHFFFAOYSA-N 438.509 1.727 30 10 IDEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 540454931 PBZKPXGVWPQWRE-SFHVURJKSA-N 429.500 1.918 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 581203799 FQJLFRJRQDCXDR-DYESRHJHSA-N 449.559 1.785 30 10 IDEE CN(C)CCCNC(=O)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673902 XQVPBPOXXOMFRA-IFXNMOKESA-N 435.484 1.703 30 10 IDEE Cn1c(=O)c2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)n(C)c2n(C)c1=O 609588526 PJEVHRGXQBILFV-CYBMUJFWSA-N 430.262 1.333 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCc4ccccc4[C@H]3C(N)=O)C2=O)cc1 609609958 GLCVQOLMBUGEEH-ICSRJNTNSA-N 431.452 1.375 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670222192 JRUQCHGMIQPZIA-DYXWJJEUSA-N 448.612 1.957 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)c1 729673495 SJWAGRMWQWWTTM-UHFFFAOYSA-N 430.551 1.135 30 10 IDEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCNC(C)=O)c1 730138293 KRMSMAWNMOWPFA-SFHVURJKSA-N 433.578 1.385 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@@H]2CCCO2)C1=O 730144715 RFOFBJHYRQCTQQ-SIYQDOFTSA-N 433.578 1.171 30 10 IDEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(C#N)cc1 740204585 KRLRJMHFEJHJNF-HXUWFJFHSA-N 444.465 1.887 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCC(OCc2ccccc2)CC1 741341240 ISGUHLVUGFLJOF-GHVJWSGMSA-N 441.484 1.654 30 10 IDEE COCCOc1ccccc1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 751553855 QZSVJEVPCZUPNP-UHFFFAOYSA-N 428.473 1.823 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755186290 QSSQOKLOTSJASR-PDSXEYIOSA-N 438.525 1.488 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 765908218 YRVWCMQVLHWENL-LESCRADOSA-N 433.486 1.169 30 10 IDEE CC[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(F)F 766039351 OKSRKHOUKHZHBK-ZIAGYGMSSA-N 428.505 1.692 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O 774286862 QVQOELUTZUYRDR-QGZVFWFLSA-N 436.578 1.856 30 10 IDEE NC(=NOCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(CN2CCOCC2)cc1 774821021 SKMFSDIPLLTZHJ-QGZVFWFLSA-N 428.455 1.957 30 10 IDEE CN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1c(Br)cnn1C 781938673 GYVFQSSEQANSDN-UHFFFAOYSA-N 435.307 1.930 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)n1 788534175 QELLNRBHFVHGRS-NRFANRHFSA-N 438.532 1.647 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccnc(C#N)c1 795972109 XXRDXRGEZGOUHI-LBPRGKRZSA-N 432.458 1.396 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796678424 OAVZRTAUGVPFLV-MJGOQNOKSA-N 443.529 1.626 30 10 IDEE C=CCC1(S(=O)(=O)NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 810985419 LGARMDHSROEIEP-AWEZNQCLSA-N 431.536 1.247 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n[nH]2)cn1 1084591895 OTZKWXKCHNQDQD-UHFFFAOYSA-N 443.537 1.890 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 1116378101 YQUYRWMQMYJENA-HNNXBMFYSA-N 443.500 1.042 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)nc3)CC2)CC1 1131220004 HFDKTQZBHVAKOZ-UHFFFAOYSA-N 428.493 1.384 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1nc(C#N)cs1 1134255850 BPZCBHHJXLOQIW-UHFFFAOYSA-N 449.558 1.280 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 1136596377 GBZWNPLQMHGOMT-IBGZPJMESA-N 430.549 1.901 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1137537398 NGPMCHQBCYVVHM-VFNWGFHPSA-N 430.509 1.147 30 10 IDEE N#Cc1cccc2c1CN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C2 1144339215 YVTMFSFERFSCAI-LPHOPBHVSA-N 431.901 1.878 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 1152968089 YJUUQUIJDXQHMZ-UHFFFAOYSA-N 449.536 1.765 30 10 IDEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1159489861 JSNBMXCSYBIONP-UHFFFAOYSA-N 425.445 1.794 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 1175515356 YMKFMGLPVSDAQR-UHFFFAOYSA-N 435.937 1.119 30 10 IDEE C=CCN1CCC(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1186643404 LPBWDDYTEQEFEZ-UXHICEINSA-N 437.562 1.592 30 10 IDEE COc1cc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1C#N 1248505656 OWDDZCYTKAGQID-UHFFFAOYSA-N 428.514 1.801 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286329181 RWPVBVUYBJBHTL-FQEVSTJZSA-N 435.532 1.661 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286606467 QPHBCPVAEHIVCX-CVEARBPZSA-N 445.524 1.906 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCS2(=O)=O)CC1 1286650717 XBUDZWIYBUNYHE-IRXDYDNUSA-N 425.555 1.194 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SCC)C1 1286779257 HIRMKVKOOZWRSE-CABCVRRESA-N 444.627 1.303 30 10 IDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(C)C(=O)C1 1286824005 TWBQVSKGMVNYNQ-UHFFFAOYSA-N 449.602 1.758 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287011063 DCLJMWUUROHCTB-PQORCFSTSA-N 430.509 1.098 30 10 IDEE Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290857425 OAHFMZXCDCYXJJ-MGPWXQLLSA-N 445.524 1.559 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1296130296 CNUPWQYWYIONSS-PKOBYXMFSA-N 429.594 1.685 30 10 IDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1300415275 CWEMPRCYWXJYIH-RBUKOAKNSA-N 437.500 1.955 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1300495461 HYKOPGKTQIYYGP-HZPDHXFCSA-N 426.608 1.940 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300503165 AWYIIYGWHOUGMP-UGKGYDQZSA-N 446.573 1.739 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300504467 NSYPLKJJFPXMQS-GOSISDBHSA-N 446.573 1.872 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1300539154 ZPUATFRALATWPN-SFHVURJKSA-N 431.562 1.046 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1300988386 BWQHYPRMNKQVLV-ARFHVFGLSA-N 448.611 1.031 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(C)(OC)C2)cc1 1301518940 NSJXDEBBCCNYIN-HNNXBMFYSA-N 435.550 1.727 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1301526117 MJMXMSWCBVUNBX-CTNGQTDRSA-N 441.532 1.736 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)s1 1302751761 XCNGEXHXNKUMGX-HNNXBMFYSA-N 439.481 1.424 30 10 IDEE CC(C)CC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1303007874 AJAJVOLCBCLHJU-QVKFZJNVSA-N 430.509 1.922 30 10 IDEE C=C(C)C[C@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1303111287 FYVBAXOTOYZGNC-ZWKOTPCHSA-N 428.489 1.550 30 10 IDEE C#CCn1ccc(CN(CC)[C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)n1 1307735685 HKMCMPKDARECLW-HNNXBMFYSA-N 426.473 1.939 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 1307991109 JDRLILUMLDDGQY-GJZGRUSLSA-N 439.559 1.539 30 10 IDEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1313711813 HNZAJLAYTCWOMH-NRFANRHFSA-N 439.564 1.890 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)C1 1314008292 FUGIQOHGTNBMLL-MAUKXSAKSA-N 448.549 1.282 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1314710995 UYHOCTFBAJJOAU-VHEBQXMUSA-N 445.568 1.744 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1358961563 BHAROPBGJJPCNI-RTBURBONSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358973669 AHEKQBBOFFUDDN-HNNXBMFYSA-N 432.937 1.348 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1359023257 FIRMECBDVMIZRC-IBGZPJMESA-N 444.580 1.350 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CCOC)c1 1359070994 ZTOXGKFTEHTLNT-YLJYHZDGSA-N 432.550 1.064 30 10 IDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359217540 CMDGODRRXKUQFW-UHFFFAOYSA-N 425.537 1.403 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359303129 FJTSYWBUWYDQEZ-QGZVFWFLSA-N 427.534 1.335 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC=CCO1 1360237661 LXAMCWRFEVTASH-SFHVURJKSA-N 436.520 1.355 30 10 IDEE C=CCCC[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1455836854 MHHZDGRUWDMLME-AWEZNQCLSA-N 433.324 1.742 30 10 IDEE CN(C)c1nc(N)nc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 1459895060 GUVTUSAYBJJEON-OAHLLOKOSA-N 431.342 1.665 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1 1460264839 GBALIIWGWFOQNE-UHFFFAOYSA-N 430.505 1.668 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 1461385199 HPXVWIMUECFLDE-HSZRJFAPSA-N 425.485 1.789 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)CC1 1461693095 LJLMKGCHGAVVJJ-UHFFFAOYSA-N 449.552 1.514 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1463450584 ASHJSFSSHYWDMG-SFHVURJKSA-N 436.534 1.729 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1464029470 RTWQYDXATNSIKL-UHFFFAOYSA-N 434.514 1.670 30 10 IDEE COC[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCCN1C(=O)OC(C)(C)C 1472371225 OZQSTEUBCXNNHB-OAQYLSRUSA-N 447.492 1.010 30 10 IDEE Cn1c(=O)[nH]c(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c(C#N)c1=O 1472739591 CVRBFMLTKWTNHA-HNNXBMFYSA-N 429.278 1.095 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(CN3CCNC3=O)CC2)cc1 1475974459 VPKZFSPLBDVSSU-UHFFFAOYSA-N 435.550 1.762 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N[C@@H](C)CC 1503108721 KDVVUAIGBVBOKH-KRWDZBQOSA-N 440.552 1.713 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1503689371 GWMZTOGFPLSPFP-GOSISDBHSA-N 437.548 1.894 30 10 IDEE COC[C@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504615859 YQCPMSYCFZZYGH-GOSISDBHSA-N 436.495 1.842 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCCO4)n3CC(=O)NCC(F)F)CCO2)c1 1505318580 YSJZEIUVHCYDCD-SJORKVTESA-N 446.458 1.960 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCC(OC)CC1 1507658493 CDLYRXFMFFCIJW-FPOVZHCZSA-N 443.592 1.964 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1507677423 ZNOFUWPDRHPOII-NRFANRHFSA-N 432.594 1.182 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507755904 RLPYAVHCCSPQOH-INIZCTEOSA-N 425.624 1.847 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(OCC(N)=O)CC1 1508051570 RFSBFPUYTUJYPZ-UHFFFAOYSA-N 447.565 1.203 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1508137603 OGAONCFSQOUUFT-CABCVRRESA-N 441.579 1.199 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1508416024 DAQFODZLWNHXIZ-YOEHRIQHSA-N 425.493 1.351 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1515009481 DASWGYFCXVVZNC-RTBURBONSA-N 435.532 1.838 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(C)(=O)=O)c2ccccc2c1=O 1515942308 CIZJRYYQKBWBFH-CQSZACIVSA-N 443.533 1.458 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1=O 1517419405 YLJDTTGJQXWJII-MRXNPFEDSA-N 432.431 1.431 30 10 IDEE COc1ccc(CCc2nnc(N(C)OC)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1518195377 DJTXHMSIOWZAFJ-FMQUCBEESA-N 426.477 1.596 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1519393862 NNUNZPXYLPDWRO-ROUUACIJSA-N 427.461 1.984 30 10 IDEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSCC2)CC1 1519503938 HIRHPTZWWOZSKR-UHFFFAOYSA-N 433.559 1.859 30 10 IDEE CSCc1n[nH]c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1535179034 BUIYWKNYWYEKFU-UHFFFAOYSA-N 434.547 1.256 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1539124609 HAGAOAUILOOSDY-SJORKVTESA-N 425.555 1.030 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C(=O)NC 1539617571 XIJAAFHMGDTQQP-RYRKJORJSA-N 441.536 1.725 30 10 IDEE C=CCN(C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)[C@H]1CCS(=O)(=O)C1 1542217203 SXVJDJYXZDAHKA-AWEZNQCLSA-N 426.539 1.901 30 10 IDEE CCOC(=O)C1=C(COCCNC(=O)CC#N)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1 1543951945 OFBPBORVVFYJKT-HXUWFJFHSA-N 441.484 1.684 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](OC)C(F)(F)F 1545928802 KFXZDEQFAQAUQZ-KGLIPLIRSA-N 432.447 1.893 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1548334268 FBMPWXBUFOGQJX-OAHLLOKOSA-N 448.549 1.642 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CCO1 1554451253 COXMZIRNPPJLNR-AOIWGVFYSA-N 442.495 1.818 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCC(=O)NC2CC2)cc1 1555988575 HUSWWRZFWFLUPW-QGZVFWFLSA-N 435.532 1.967 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(F)c2)CCO1 1555992027 DSWWGLCRZDKVOT-OAHLLOKOSA-N 432.431 1.600 30 10 IDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc([N+](=O)[O-])c1 1557978308 SRFJAVMSDYYTRE-UHFFFAOYSA-N 432.433 1.971 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)Cc2c(Br)cnn2C)c(=O)c1C#N 1558973069 AUKZDFXCDQPBQZ-UHFFFAOYSA-N 443.099 1.908 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)n1 1587561925 JATYZKNJYGSGQU-ZWKOTPCHSA-N 428.537 1.740 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1587562067 KUMOEIQFHKXHBO-IRXDYDNUSA-N 445.593 1.698 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1587898151 ILWHESNQDXPPRE-HXUWFJFHSA-N 435.576 1.794 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1588024443 CYUVYULOKDINSE-IBGZPJMESA-N 443.573 1.708 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)c2occc2C)CC1 1588800791 ORKUUJNTUSOTJV-UHFFFAOYSA-N 436.520 1.155 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1588836034 CQPCAQKPLRVFEC-FMQUCBEESA-N 425.537 1.148 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1589053220 KEPSZIRTVIGWDO-GOSISDBHSA-N 436.541 1.652 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1589078768 ZRLQXPQGYQWPRS-UHFFFAOYSA-N 432.638 1.978 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C 1594895413 ILWRFTPUIVFARJ-UHFFFAOYSA-N 429.550 1.908 30 10 IDEE CN(C)S(=O)(=O)C1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1596280682 UEZRNIBUCXHPPW-XAUUPUKJSA-N 440.566 1.313 30 10 IDEE CC(=O)NCC1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1596612850 YBZOVHYXLCDIHK-MRCUWXFGSA-N 443.552 1.356 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)s1 1610971209 FSTXPPZUDLIDKO-QGZVFWFLSA-N 447.582 1.920 30 10 IDEE C#CCCN(CC(F)(F)F)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1611137420 IUWDTOSSITXHAC-CYBMUJFWSA-N 426.457 1.825 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCCO1 1612918340 ZDMBLFDIXMEPLV-INIZCTEOSA-N 433.534 1.493 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1614261439 BYLZTKSNZDRBME-WBVHZDCISA-N 448.549 1.282 30 10 IDEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614465089 ADHLLVLYTWRLEA-DFONPATRSA-N 447.572 1.762 30 10 IDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1617225999 MABRWESZSOXEAX-SIRSKZSMSA-N 440.566 1.313 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CC1 1618828984 BWTMFVLQKAMZLD-NRFANRHFSA-N 427.509 1.066 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1624729315 XMRQLBDFLAVGSE-FDDCHVKYSA-N 441.532 1.875 30 10 IDEE COC(=O)CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1CCOCC1 1630114627 RJMDADYGLUCLMN-JXORXQGFSA-N 435.521 1.954 30 10 IDEE CN1CCN(CCCOc2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 1632045393 POUSVIFZQZTLTR-FCQUAONHSA-N 441.532 1.558 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1633493041 IBVRAZCKNCMDSR-UHFFFAOYSA-N 441.513 1.596 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn2c1CCCC2 1639300327 JXKBGBKOWSFDRF-KRWDZBQOSA-N 429.546 1.989 30 10 IDEE CN(C)c1n[nH]c(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1640558700 SDZQYMNODXVKLM-UHFFFAOYSA-N 445.549 1.096 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CS(=O)(=O)c2ccccc21 1641306450 IEXKVQBRXAHXEP-CQSZACIVSA-N 447.538 1.193 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1645034501 WZSQGYUKYBMGFG-OAHLLOKOSA-N 449.554 1.378 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4ccnn4c3C(F)F)CC2)cc1 1648442389 BPTIWKGOCOSUDD-UHFFFAOYSA-N 446.439 1.685 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1649561308 BJIBZEXEAVTOPS-PXNSSMCTSA-N 437.504 1.178 30 10 IDEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 1655634052 GKDGZTKCFRRSSD-UHFFFAOYSA-N 443.516 1.201 30 10 IDEE C=CCCS(=O)(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1655643383 XNKUBTMLVLKAQG-IRXDYDNUSA-N 442.582 1.760 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)CC1 1673883922 RUMZIDWZNCCOPJ-UHFFFAOYSA-N 447.561 1.285 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 1681851750 KJONSGWUMSPZHE-SNVBAGLBSA-N 425.458 1.018 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC(=O)N(CCOC)C1 1689833490 KRXJGQKZSTVKMZ-KGLIPLIRSA-N 449.353 1.989 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1689913215 JRYQESZZIAQETH-SVFBPWRDSA-N 446.596 1.404 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689930779 ZEXURWHDIIGISY-GOSISDBHSA-N 443.577 1.489 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689986762 WTLRHBIODSECSB-KRWDZBQOSA-N 442.520 1.801 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690135377 VHXMESQQGXMHRM-IRXDYDNUSA-N 444.580 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCS(C)(=O)=O)CC1 1690140023 IYQDQUMNBGAYGF-UHFFFAOYSA-N 449.964 1.609 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1690243564 MNNBXAHXWHBRLR-OXQOHEQNSA-N 428.537 1.986 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1690309594 FBKSDDICWPDPMH-QGZVFWFLSA-N 437.504 1.901 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H]21 1690508080 AUCJUGSPRMEQQF-BBWFWOEESA-N 425.555 1.192 30 10 IDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690516724 QUTJTKQNTMBLRS-LPHOPBHVSA-N 427.571 1.222 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1690563260 LSKGUSUNBHOBMC-OAQYLSRUSA-N 442.545 1.421 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NC(=O)COC)CC1 1690661681 DEFQXVAQSUOTEB-UHFFFAOYSA-N 446.939 1.632 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1 1690682163 GSCKAMVINVTKNK-DOTOQJQBSA-N 435.550 1.727 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696585401 PVRYDHDGCWEVQF-QGZVFWFLSA-N 425.493 1.533 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCNC(=O)c1cc[nH]n1 1705548224 ZSDZRBWSQUZUJG-UHFFFAOYSA-N 428.294 1.930 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1705567135 UXDVCTTZORCRSF-KRWDZBQOSA-N 440.529 1.742 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1705574702 LEPUHSRFLGYZRW-HSZRJFAPSA-N 429.565 1.502 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1705587995 RGYZWMTZALKCFV-RTBURBONSA-N 449.621 1.941 30 10 IDEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(C)(=O)=O 1705590708 UEOPEFJMXWJKIS-UHFFFAOYSA-N 425.558 1.760 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)nn(C)c1C 1705593007 BXDHRTIEJDLHOM-UHFFFAOYSA-N 440.515 1.782 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)c2cccs2)CC1 1705644115 GVJIQRDYMGFMKR-UHFFFAOYSA-N 428.562 1.859 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccn(C)n2)CC1 1705651203 NNUYTPYOFGUYCC-UHFFFAOYSA-N 447.543 1.913 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705660111 MYXXSGCKQDNNTH-CABCVRRESA-N 445.549 1.680 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C)s1 1705662065 PBDYJBQWYYEKDG-AWEZNQCLSA-N 425.605 1.948 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705663116 WUJQQALYQZOTSM-UHFFFAOYSA-N 434.591 1.102 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1705679048 AAUXCMWKNAGLIP-LBPRGKRZSA-N 427.347 1.772 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCO[C@@H]2C)C1 1705916057 IFQBPSAEWIUECJ-YHBROIRLSA-N 436.553 1.640 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1711085410 GGQDYGGZASUAKS-KRWDZBQOSA-N 433.476 1.175 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H](C)C2)CCO1 1711362741 FEGOFYDQYNMGEZ-PXNSSMCTSA-N 437.548 1.500 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1711393245 DVFYNHVEPZEZQE-SFHVURJKSA-N 448.531 1.760 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722326093 QYJVSXIDEMXJEY-MRXNPFEDSA-N 429.546 1.819 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1722360550 AKIFPIDGDIZJPS-GOSISDBHSA-N 425.518 1.254 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722365788 FJZWHQNHNHDYER-LVCYWYKZSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1 1722387091 FZSNVGAVSYNHPO-UHFFFAOYSA-N 438.507 1.757 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1722413965 UEHQYGQOHNRUSN-MJGOQNOKSA-N 447.561 1.538 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)CC1 1722438357 WPFCIFADAKXPBY-PMACEKPBSA-N 448.637 1.200 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722482501 AYDGMEQXLKXLPY-SUNYJGFJSA-N 440.342 1.912 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)C2CCC2)CC1 1722574369 LJJCILYOZFBLLU-HNNXBMFYSA-N 438.598 1.597 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1722631098 CUCMPXYXPSFJJT-INIZCTEOSA-N 446.577 1.681 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)CC1 1722693210 GTFOVUSLVMDVJX-UHFFFAOYSA-N 446.577 1.734 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1723236303 HOOCOIIULCGYOK-BVFCJKAASA-N 430.509 1.170 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C#N)CC2)CC1=O 1730779763 YRKMMIMVQTZBIB-QGZVFWFLSA-N 443.577 1.869 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CN3CCCC3=O)n1CCOCC(F)F)C2 1731180289 GRNWOCLFMBRJDS-UHFFFAOYSA-N 447.446 1.217 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1740615585 HMWCKABWIFQGCF-HNNXBMFYSA-N 448.574 1.305 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740621488 MBMFWUWLYFKAOB-QGZVFWFLSA-N 427.534 1.115 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCN1CCCS1(=O)=O 1740641998 QFXAWFWNIYDMMU-UHFFFAOYSA-N 427.530 1.274 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1740685049 ARUNKQFYEKADMB-OALUTQOASA-N 443.573 1.781 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1740900347 PLXRZJYJOVRXKC-IBGZPJMESA-N 444.561 1.957 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740961865 KSPHCDCAWIGGRF-GOSISDBHSA-N 436.520 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)cc(OC)c1 1740990511 BQFRXVMYCJGXRW-KRWDZBQOSA-N 449.533 1.615 30 10 IDEE C[C@]1(N2CCOCC2)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1742015136 FGZGYHGJYYYZEX-NRFANRHFSA-N 444.561 1.162 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1743206745 HGFSKACDZOKTAS-QGZVFWFLSA-N 437.548 1.880 30 10 IDEE CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745387154 GUCMLKYLHOUBEJ-QGZVFWFLSA-N 437.552 1.967 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1746362604 BUKWSKMWGCQKRQ-HNNXBMFYSA-N 430.419 1.935 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748824462 CCEMXQJFEZUONL-INIZCTEOSA-N 440.470 1.142 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1748825916 IJXJZYOHJQRLCM-QGZVFWFLSA-N 437.529 1.195 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)CN2CCCCC2)CC1 1749001259 OGVOIJPZMBWHKQ-FKBYEOEOSA-N 444.624 1.879 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749207558 MYXLRNUDKOJJCJ-CVDCTZTESA-N 446.596 1.638 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 1749427120 LPCYABGNWDGESO-SJORKVTESA-N 427.571 1.440 30 10 IDEE CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1750262363 AUDKKOFPNGQMOW-YOEHRIQHSA-N 443.570 1.534 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc(CO)nn2)CCO1 1750388140 KSEUUWGLULKXIB-OAHLLOKOSA-N 444.446 1.050 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1760188804 DEPLFQXKECOAKN-LJQANCHMSA-N 437.525 1.645 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760189834 WZBJVMYRYLWWNK-ZTFGCOKTSA-N 447.561 1.817 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760201760 ZWAWCBBUYBRLHE-PMACEKPBSA-N 432.507 1.759 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760526507 ATSWIPBOXYHZJF-UHFFFAOYSA-N 443.511 1.900 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCOC2)C1 1760547158 FSGTVFNNGUZGSD-VGOFRKELSA-N 430.505 1.798 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760565394 WKAYHDZBCBBXAE-HOTGVXAUSA-N 429.612 1.909 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@@H](C)C#N)CC1 1760621801 AUKGDPBQQUDBTM-INIZCTEOSA-N 445.518 1.907 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1761238622 UAKKANZFONZRTO-WMZOPIPTSA-N 437.504 1.198 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762696510 FIBSFUBYHHIJQQ-CVTQAYBASA-N 441.536 1.204 30 10 IDEE CCN(CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766681763 ODJCTSRVSIDOEK-UHFFFAOYSA-N 435.536 1.945 30 10 IDEE Cn1nncc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1767535552 PERUWQUSAXAVQI-LAPQFRIASA-N 445.503 1.668 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1768782594 DZEWGIUBXFQWAX-SFHVURJKSA-N 432.550 1.713 30 10 IDEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769735084 RTUSIKIUVKTWQR-UHFFFAOYSA-N 441.511 1.774 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1769994461 JUXGBBGLFTURQR-VKJFTORMSA-N 429.518 1.269 30 10 IDEE CSC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1770396396 HTHAOZAWSAOVPS-CXAGYDPISA-N 446.574 1.195 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCSCCCO)c1 1770735037 BWAXZHWEPRBLFZ-QGZVFWFLSA-N 427.534 1.146 30 10 IDEE COC[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1770764885 GCHZMTDAYDQZMN-IBGZPJMESA-N 434.504 1.595 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H]1OC 1771337452 HTNDQGXZPZRYLW-BGYRXZFFSA-N 426.521 1.389 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1772566994 KMEVXLQPSFLOQZ-KRWDZBQOSA-N 445.568 1.201 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1)[C@H]1CCN(C)C1=O 1849199638 NURYIIKHSOKOET-DLBZAZTESA-N 425.938 1.738 30 10 IDEE C=CCN(C(=O)Cn1cnc2c([nH]c3cc(OC)c(OC)cc32)c1=O)[C@H]1CCN(C)C1=O 1850410508 UISWGOWBNJICDH-HNNXBMFYSA-N 439.472 1.140 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1Cl 1853390341 UVNWDBTYUINYGK-CQSZACIVSA-N 440.891 1.712 30 10 IDEE N#CC1(c2ccccc2)CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CCS(=O)(=O)C3)C2)CC1 1855839900 KAEKHUJOFMAMJM-ROUUACIJSA-N 429.542 1.354 30 10 IDEE C=CCn1nc(C)c(I)c1C(=O)N1CCN(c2ncccn2)CC1 1871336675 QDJXWXZJVUPDAO-UHFFFAOYSA-N 438.273 1.735 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN3CCCCC3)OCC(=O)N2C(C)C)cc1 1889303434 QJRFMGUORNWQTL-GOTSBHOMSA-N 427.545 1.978 30 10 IDEE CCOc1ccccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889658406 XKFTVMSRGDWNPC-UHFFFAOYSA-N 435.590 1.506 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccc4c(c3)OCO4)CC2)CC1 1890206501 VECGNVIZFPDXAC-UHFFFAOYSA-N 429.517 1.053 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 2006233220 HBHGVDHLDKTYKZ-RWMBFGLXSA-N 425.345 1.839 30 10 IDEE C=CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2116269664 NXVXNNYSQSICJR-DGCLKSJQSA-N 429.315 1.974 30 10 IDEE C=CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2116269665 NXVXNNYSQSICJR-WCQYABFASA-N 429.315 1.974 30 10 IDEE C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCN 2186639951 ZFBUPSBXXSDXKM-CQSZACIVSA-N 446.554 1.510 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247834641 ZAKHFSUZVYZTMQ-MRXNPFEDSA-N 433.261 1.725 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413498 XQBPOYHQINHAAC-VXGBXAGGSA-N 439.343 1.751 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248442391 SNYXDZGHVNBKHD-GFCCVEGCSA-N 436.343 1.811 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2255649187 QWGDSCWHIGAQSM-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255822773 PMFKBGIVDKMYNQ-UHFFFAOYSA-N 438.330 1.928 30 10 IDEE Cc1c(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834487 NTLNGNRJJPKHEO-KBPBESRZSA-N 434.346 1.671 30 10 IDEE Cn1nc(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255838694 JZDJQTNCQADNRQ-UHFFFAOYSA-N 436.362 2.000 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256621418 UTMNAKOIOGXOST-FZMZJTMJSA-N 439.293 1.733 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267004485 FTRLZEJIFRDMFA-UHFFFAOYSA-N 449.357 1.730 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267522551 WUGFFHQZUGZWGV-MOPGFXCFSA-N 438.337 1.434 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@@H]1NC(=O)C(F)(F)F 2267552224 QUHVTGNITNHDID-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@]2(C)CCN2C(=O)OC(C)(C)C)n1 2267573970 PGTCUBUBANMGPW-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2267604927 JMMZXDUZLZKBGP-ZIAGYGMSSA-N 449.361 1.680 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CSC[C@H]1CC(=NO)C2 2270268237 AVLMCBOYALUZKS-HUUCEWRRSA-N 437.543 1.803 30 10 IDEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1F 2296610770 UGBONJWOVWSRGF-FQEVSTJZSA-N 441.459 1.983 30 10 IDEE COc1cccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 2328074107 REUGIICBCMNVOH-LAUBAEHRSA-N 447.491 1.811 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337303216 FENSALGKZMGDMS-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2356120388 KMALWUOFDFAFCZ-RBSFLKMASA-N 440.294 1.990 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)cc1 21318808 KUYVGHCVDBEKMT-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE CCOC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)c2C#N)C1 44357435 LHFMGLRYZZBXHC-CYBMUJFWSA-N 426.520 1.497 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc(O)cc2)C1 203567418 OQDWPLYVFWQKBP-VNQPRFMTSA-N 437.456 1.479 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)cc2C1=O 461059567 CEYMDVQZXAAEFJ-UHFFFAOYSA-N 439.493 1.939 30 10 IDEE COc1cc(CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)ccc1C#N 462479880 ZKCBMKSPOBJAHE-UHFFFAOYSA-N 431.500 2.120 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C)c2=O)o1 471199242 NTZSDBVCOFVRNP-UHFFFAOYSA-N 449.532 1.725 30 10 IDEE N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N=c3cc([C@@H]4CCCO4)[nH][nH]3)[nH]2)c(Cl)c1 472983662 DNSCPKZSGIKOCM-HNNXBMFYSA-N 425.836 1.393 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NCCc3nnc4n3CCC4)c(C#N)c2N)cc1 478129127 SHZFJDJCVSKPSW-UHFFFAOYSA-N 433.520 1.647 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 478743822 GYGORIKKGZFCQM-UHFFFAOYSA-N 446.598 1.207 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccc(F)cc1 481985215 XQGUCKHHLJXGDO-UHFFFAOYSA-N 438.509 1.999 30 10 IDEE N#CCCN(CC1CC1)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 505179649 KTIHCBIKYBVRRW-UHFFFAOYSA-N 442.335 1.955 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN(C2CC2)C(=O)C1 508935997 QFJRNBFCRVVEOH-UHFFFAOYSA-N 444.561 1.404 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 538390301 PSVYWXUAIQFERH-OALUTQOASA-N 442.589 1.881 30 10 IDEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549326201 KIKVEURQFDQGBW-UHFFFAOYSA-N 446.577 1.529 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c1 575912039 BRUZACWJSINHLA-UHFFFAOYSA-N 440.525 1.505 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 580681620 XVMBHFNGHLAEAF-UHFFFAOYSA-N 432.546 1.524 30 10 IDEE CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 585710103 OFANQOVIHXOWQE-UHFFFAOYSA-N 437.475 1.018 30 10 IDEE COc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1-n1nnnc1C1CC1 610656900 FZHIYAYUNWDTHA-UHFFFAOYSA-N 435.419 1.814 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 731974175 BDWJRRZLDPHTHB-YLXJKYAJSA-N 441.513 1.906 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 732155753 DVFZKTJYXUYOOW-MHMQGTJDSA-N 437.283 1.989 30 10 IDEE COC(=O)CN1CCN(c2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732700283 OMYUCGWWFCYGLU-FQEVSTJZSA-N 426.521 1.186 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@]2(C)CCOC2)C1=O 733077763 KRWWVBRWQOSMAK-GCJKJVERSA-N 443.573 1.984 30 10 IDEE COc1ccc(-c2nnc(S)n2CC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 761039012 VGQOPUYGTHIPLB-UHFFFAOYSA-N 435.513 1.858 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OCCCO)CC1 771555090 IZZCILSIFJXDSG-SFHVURJKSA-N 437.562 1.530 30 10 IDEE C#CCNC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 775767095 KOIFARZSKDOIET-UHFFFAOYSA-N 441.937 1.101 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@@H](O)c2ccco2)CC1 775976444 FKQUERUGMQAYHM-GUDVDZBRSA-N 444.557 1.874 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 782049599 VZVKXUMCESTDOK-DVSFIDLUSA-N 432.502 1.336 30 10 IDEE C#CCN(C(=O)CCOc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 783359850 ZRJSMYIYSDIUBJ-CQSZACIVSA-N 447.294 1.709 30 10 IDEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 790046309 NXYDPYDONNNZCJ-KRWDZBQOSA-N 434.518 1.592 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)cn1 807936939 UGCYZQDAOILOQM-KRWDZBQOSA-N 434.566 1.249 30 10 IDEE COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 853664922 CPXSGYVTOIEBTH-CABCVRRESA-N 445.497 1.654 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1C[C@@H]1CCCO1 1115869978 PKGWULSBCVDBNM-HNNXBMFYSA-N 444.582 1.474 30 10 IDEE N#C[C@]1(C(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)CCCOC1 1124800082 QFDXKCLWMZLBKJ-SIBGDRKGSA-N 429.454 1.888 30 10 IDEE CN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 1134057055 ZHTDDAXFUBRYRW-TZOHYUNLSA-N 439.896 1.395 30 10 IDEE C=CCCn1cc(CN2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)nn1 1207269985 HNZFPBFTXCABNH-KURKYZTESA-N 432.525 1.869 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Sc3ccccc3)c2)CC1 1212213845 MSCJIPTXODIAJC-UHFFFAOYSA-N 429.567 1.894 30 10 IDEE C#C[C@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccc(F)cc1 1252439717 NSABLKACKOCLRC-FQEVSTJZSA-N 430.505 1.940 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286386777 HGWFYAKBNNNWHG-HXUWFJFHSA-N 442.589 1.841 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286406740 GNLXLHZSKVSHAG-UHFFFAOYSA-N 425.493 1.045 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1286447097 JAHSFNGYJVZKBD-KRWDZBQOSA-N 433.534 1.108 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C 1286454201 HRGMMJDKTQAMFR-HOTGVXAUSA-N 436.557 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1286458766 CMVJXBYLIALEAY-UHFFFAOYSA-N 433.516 1.706 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286459900 WEJALGCKCKPPQT-QZTJIDSGSA-N 429.569 1.652 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CN2CCCC2)CC1 1286489904 HLYMSHGYCGDBGC-SFHVURJKSA-N 436.564 1.433 30 10 IDEE CN(C)CCc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1290636314 LDFDOLIIJHJLQH-UHFFFAOYSA-N 426.542 1.809 30 10 IDEE C=C(CCN(C)C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1299351472 QJJYCFAGRSLOMQ-RTBURBONSA-N 449.596 1.889 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1 1299802192 QIFUDIPSNUVDRQ-FQEVSTJZSA-N 441.484 1.969 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1300077132 LSRQGMMAHHCVIW-BBWFWOEESA-N 429.477 1.231 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)Cc1ccon1 1300286714 NDIASGNDVUEDHW-CYBMUJFWSA-N 449.924 1.559 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2cccc(N3CCOCC3)n2)c1 1300330487 AYDUDKLDAQNHIB-UHFFFAOYSA-N 445.527 1.923 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCN(CC)CC1 1300540945 HDZBALLOLNZNTR-OAQYLSRUSA-N 444.587 1.615 30 10 IDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300546961 APVOIARPNIJHJH-QYZOEREBSA-N 443.548 1.912 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCOC2)C1 1300863924 WKJSEZRASADGMP-RLFYNMQTSA-N 443.342 1.906 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301134822 ADWGYVKOKVEILU-QGZVFWFLSA-N 436.538 1.640 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1301295886 BRKGQQYKDPMJOL-GOSISDBHSA-N 435.550 1.702 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)N1CCSCC1 1301312437 BWTLVEXXDAVLBP-HOTGVXAUSA-N 445.611 1.003 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1301596804 ZERMKBMSBTZNSA-VQIMIIECSA-N 444.623 1.863 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1301953709 TZRDHTVMTUOZOA-HZPDHXFCSA-N 433.582 1.793 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305680404 KQZOBMQCYFEMAK-WXVFVKJXSA-N 449.515 1.283 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 1311613671 OPTNZTKNEXXZFD-WOJBJXKFSA-N 428.533 1.257 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1312972386 WAXNXJYHFKGSJY-UHFFFAOYSA-N 435.428 1.232 30 10 IDEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1313192139 YPCBNQDHKIDRDE-UHFFFAOYSA-N 439.843 1.370 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1315021274 UDIBGRBTQVYBHD-HSZRJFAPSA-N 435.532 1.648 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1320322217 SVXZVMRBHMTGHW-HNNXBMFYSA-N 429.489 1.075 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCOCC1 1358881129 ZJIFILOVLNLZDM-QGZVFWFLSA-N 435.536 1.490 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1358896780 LYPVDMOYATYBFF-INIZCTEOSA-N 443.552 1.891 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1358956323 DKQOCWGAUWQTCN-VQIMIIECSA-N 442.969 1.698 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(CC)CCC)CC1 1359044750 NQAZBOAWHAAWJP-HXUWFJFHSA-N 430.597 1.870 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359256875 SLCWVYCTRBWKJT-QFIPXVFZSA-N 441.557 1.844 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1359275019 ILFIZANEDCUWPL-SFHVURJKSA-N 441.561 1.592 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1359278931 LWACIVIEIDZCSX-HNNXBMFYSA-N 435.506 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCCNC2=O)CC1 1359330209 KRGYLHVGLUGSAP-UHFFFAOYSA-N 447.565 1.258 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359342881 GVCSWHRFNJATER-MSOLQXFVSA-N 448.637 1.880 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1359353289 WDIBSXQBXIYHOH-OAHLLOKOSA-N 446.533 1.140 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1441053281 ZMFUGNIPYDUPLJ-SFHVURJKSA-N 434.581 1.696 30 10 IDEE COCCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C(C)(C)C1 1460328130 GQELCKRDQNRCRJ-NRFANRHFSA-N 431.556 1.577 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3F)C2=O)cc1 1463631039 GDYHEXPLIBHHDM-AWEZNQCLSA-N 430.417 1.211 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OC 1464541128 NVMZLMGLNWAUBZ-NSHDSACASA-N 447.311 1.677 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCN(CCOC)C(=O)OC(C)(C)C)c1 1466616027 HXUUDZDAIILIRE-UHFFFAOYSA-N 439.534 1.211 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1S(=O)(=O)NCC#N 1468526616 PFLDKHLVDQNLAD-GHTZIAJQSA-N 431.489 1.737 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1469547512 XRHOPVDCFZYMDM-YJLNNSPDSA-N 448.570 1.385 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1 1470872877 GDKMKQQBOWFCPS-HXUWFJFHSA-N 427.526 1.509 30 10 IDEE Cc1ccc(C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)cc1S(=O)(=O)NCC#N 1472372323 CCCBIHJOZGXUQZ-UHFFFAOYSA-N 426.454 1.703 30 10 IDEE CN1CCN(Cc2ccc(CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)CC1 1477392644 AKGJMXHGFKUUGK-UHFFFAOYSA-N 433.560 1.732 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)n1 1478185247 ANQJMTFVWWIJRL-UHFFFAOYSA-N 446.529 1.336 30 10 IDEE CN1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1503685045 MPOLXVREMLATST-QGZVFWFLSA-N 444.971 1.748 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1504531758 RPHZUCIIWDSRIS-UHFFFAOYSA-N 434.447 1.393 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CN3CCCC3=O)n1CCCCCCO)C2 1505317415 MBGTURPKGWQDSN-UHFFFAOYSA-N 439.520 1.488 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1507515748 IIYXYOMSAMLHKE-HOTGVXAUSA-N 440.614 1.236 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1507537981 JYSOCDSEIAGKKQ-HUUCEWRRSA-N 427.596 1.355 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1507553928 JVIJGUFCUGERFN-UHFFFAOYSA-N 428.581 1.866 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1507628985 QWPMFPFPMAAXPJ-KRWDZBQOSA-N 445.545 1.532 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)CC=C)CC1 1507723984 BYVGBUVDWXSSMZ-UHFFFAOYSA-N 447.992 1.878 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1507980728 IAWADTZUOLEUNA-CABCVRRESA-N 429.612 1.765 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508081989 QSIQFXKYFGYFNE-RDJZCZTQSA-N 441.536 1.992 30 10 IDEE CC(C)Cc1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509173812 ZRPRHLJKJLGEMD-FVGNFYTDSA-N 441.536 1.204 30 10 IDEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)n1 1511470883 FQIOOGSHZLPDLP-UHFFFAOYSA-N 437.529 1.925 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1517428827 IBTFLSLJSYCMLC-UHFFFAOYSA-N 425.537 1.357 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)c1 1518058333 YSTVFMPLZCNXAG-GOSISDBHSA-N 433.534 1.807 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@H]2C)cc1OC 1518129599 FWDNOGWJCCUJEI-SZFUDVHCSA-N 431.468 1.944 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OC 1535097285 BQUPCXSNRIVDFH-AWEZNQCLSA-N 429.926 1.760 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1539065321 FJLIGLRZOKHFPB-FQEVSTJZSA-N 449.559 1.793 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)nc1 1539149075 QDRWUSGJPIVKBI-LBPRGKRZSA-N 446.455 1.342 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1539239129 IDAQJWVRZNXPKL-INIZCTEOSA-N 427.530 1.139 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCO2)n1 1539424002 JCNKIERLWRZMTG-UYAOXDASSA-N 428.537 1.834 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539752612 TYOQOSCJLQQZMC-UHFFFAOYSA-N 441.561 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1540905622 ULAODUWYYLGZFL-VQTJNVASSA-N 446.573 1.831 30 10 IDEE CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1541566329 UFRJDFMUIBORMA-MRXNPFEDSA-N 439.520 1.607 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1541657155 BVPGKUJURQSTAA-FQEVSTJZSA-N 433.532 1.503 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1541926991 CBZQGFAVWNPTHU-BMIPRAEKSA-N 440.545 1.535 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1546770369 VUEBCBJEJVCLTK-KRWDZBQOSA-N 448.549 1.283 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1555557966 IEJJZBRRURMFSQ-OAHLLOKOSA-N 448.549 1.462 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@]2(CCSC2)C1 1557145790 LLYUSFDYSLLJRV-OXJNMPFZSA-N 437.587 1.874 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCC2(CC1)CC(=O)C=CO2)Cc1ccc(OC)c(F)c1 1564978459 VSEGBJRSMWDKCU-MRXNPFEDSA-N 433.480 1.786 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1585654979 MHIDCVBOLLZVKS-HNAYVOBHSA-N 439.559 1.036 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1 1587556664 RELUDCYLPJPEOM-CQSZACIVSA-N 449.964 1.897 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1588124113 CXIJOEBDGOWVBK-QHCPKHFHSA-N 436.585 1.929 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1589089397 RKXMLGBZILBNME-HXUWFJFHSA-N 426.590 1.931 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCCCCC2)C1 1595465934 BLOKTYZFOFUOBJ-UHFFFAOYSA-N 430.553 1.746 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC(C)CC2)C1 1595721342 FBMMEDRFDGEACV-MOPGFXCFSA-N 437.610 1.693 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1616222501 BQAKSGXORYFDSL-IFMALSPDSA-N 446.552 1.342 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 1616871945 QWOXEIPPFPORLG-LJQANCHMSA-N 430.549 1.901 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)CC1 1618244220 QBVGGVDTGKUPLI-NRFANRHFSA-N 435.525 1.124 30 10 IDEE COC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1619598960 CDGIUIUFHDPEME-HZPDHXFCSA-N 437.508 1.311 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@H]1C 1619937576 OYPRPMJAGAQSOO-WIYYLYMNSA-N 440.548 1.779 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H]3CCC[C@H]3C#N)CC2)cc1 1620488038 MWDPNZBYXXPCLC-ICSRJNTNSA-N 432.546 1.346 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H]3CCC[C@@H]3C#N)CC2)cc1 1620488040 MWDPNZBYXXPCLC-UYAOXDASSA-N 432.546 1.346 30 10 IDEE C=CCOc1c(Cl)cc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)cc1OC 1621457334 BNOFAJNUHUPABG-ZFWWWQNUSA-N 437.880 1.581 30 10 IDEE CNC(=O)CN1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1625088188 DFSFVLOBMOVEDD-UHFFFAOYSA-N 434.338 1.084 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCn1ccnc1)C1CCSCC1 1635229884 BCSWZANNAGPANK-MRXNPFEDSA-N 447.586 1.846 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1636796778 PSXGTYLVSPROCU-UHFFFAOYSA-N 429.546 1.483 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1 1639232281 HRZQMXFWYVKKLA-OAQYLSRUSA-N 440.481 1.247 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)c1 1639597304 SEJMCZMRRDWMEA-HXUWFJFHSA-N 446.550 1.600 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O 1659843687 BZQZDUJXAXOWIQ-FOWTUZBSSA-N 448.476 1.367 30 10 IDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1669196435 QCMQZUPGWIEBAK-IXDOHACOSA-N 430.592 1.959 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(C(=O)NCCC(N)=O)cc3)CC2)cc1 1671876645 BMHFHYLLCBBOHP-UHFFFAOYSA-N 434.500 1.513 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1675972794 ZRJUEJTVBPPWMD-CVEARBPZSA-N 431.555 1.397 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 1681515819 MMABDVOTYJTHCP-IERDGZPVSA-N 425.445 1.157 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1689866484 DCKPXNOIQZJQRS-NXOAAHMSSA-N 445.486 1.723 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1689930072 KHROKHCPJBRYRQ-MSOLQXFVSA-N 443.552 1.998 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689993126 WANBTHPWFQLORI-SJORKVTESA-N 432.546 1.943 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C2CC2)cs1 1690103642 FLDVBTMDQNKBDO-HNNXBMFYSA-N 435.575 1.648 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1690184864 PCQCGFGPIXEDIH-MRXNPFEDSA-N 429.546 1.899 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690366206 SVOPHBFBAHFFEN-YLJYHZDGSA-N 439.582 1.511 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1690659666 ZNXMTAJFXYNLNJ-PXAZEXFGSA-N 429.352 1.739 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)NC)CC1 1690665557 HVCDUPFGLWSWRR-UHFFFAOYSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690673191 REFKBXKKPCGAGC-UHFFFAOYSA-N 437.548 1.547 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)C1 1690709936 NAIFZRYZMDNYJT-KRWDZBQOSA-N 431.562 1.994 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690729169 IBLGWJOOTXRNLP-UHFFFAOYSA-N 439.582 1.397 30 10 IDEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1690746612 DZSQBOMCNWYVAF-ROUUACIJSA-N 445.545 1.661 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1693782915 GBLKZYGAVHRLBU-CRAIPNDOSA-N 430.534 1.466 30 10 IDEE CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C1CCCC1 1695550439 CBKRXCKFBMVONZ-SFHVURJKSA-N 448.549 1.893 30 10 IDEE COc1ccc(OC)c(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1697473040 AUUIRHCBEJRYRO-MSOLQXFVSA-N 440.504 1.608 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1698060790 HADKNWHEYFVGEL-KRWDZBQOSA-N 431.541 1.388 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1698311686 DIRDQZGMXOYADU-UHFFFAOYSA-N 440.476 1.528 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCO)C1 1698483395 BDTQSEXVENCAOK-HXUWFJFHSA-N 427.440 1.435 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCSC1 1705480865 YUPZWXBHRVOQIC-XOBRGWDASA-N 448.618 1.873 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705533555 YKPANXFJLFJWFY-OXJNMPFZSA-N 432.550 1.079 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc3O2)CC1 1705763270 RMWIUULYGNXZRS-HZPDHXFCSA-N 433.534 1.885 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1705894399 XJSREYCPCWDMID-BJLQDIEVSA-N 446.596 1.757 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCn1cccn1 1705895563 LCLHULSUEJICKF-UHFFFAOYSA-N 433.314 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705934703 VAARJXAUKLAIKS-UHFFFAOYSA-N 447.565 1.272 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1705937519 WRAHUPSGAPYIJD-AWEZNQCLSA-N 435.516 1.904 30 10 IDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1708780739 GVKNFIJIRBEQKZ-IBGZPJMESA-N 425.537 1.452 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1710456892 GQCOXYYEKKZGEG-RTWAWAEBSA-N 430.484 1.602 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(CC)C1CC1 1722346470 RAXQIEFJPWUNQM-UHFFFAOYSA-N 430.578 1.749 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1722362087 RXQDBNSCASYVFM-INIZCTEOSA-N 442.545 1.817 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722421596 MQOKSSUWKSUJHR-YYIAUSFCSA-N 427.571 1.178 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1722427297 NBWIOTWYNJHNGF-AUSIDOKSSA-N 430.597 1.997 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1722444537 APYNMPLPEOYBLO-UHFFFAOYSA-N 447.543 1.555 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722501375 XVSVWYXRHBNJEG-MLHJIOFPSA-N 439.582 1.581 30 10 IDEE C=CCCCCn1c(C2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722603267 HRAQMSQJPUFABV-UHFFFAOYSA-N 442.568 1.759 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722693683 XKTJOKIVTHWFMA-AEFFLSMTSA-N 440.548 1.937 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](COC)C1 1722695926 VGWWMIRWMLXFSA-INIZCTEOSA-N 437.508 1.086 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1723089062 YCTXOCKSVFDFSJ-JOCHJYFZSA-N 437.504 1.620 30 10 IDEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1726824298 CZESNOYHJQOEDQ-ALIIGJLFSA-N 441.532 1.974 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOCC2)CCO1 1731185861 GLUUTYJXFUJHGQ-SFHVURJKSA-N 427.465 1.304 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740585836 FIVRZUGPJLHFTK-HXUWFJFHSA-N 425.581 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1740648200 DLCJIKLPMSEOOK-INIZCTEOSA-N 447.536 1.742 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1740653164 CCHPEDZLLGEMGC-KRWDZBQOSA-N 436.907 1.631 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740781310 BLIVPAUGHITSCE-SFHVURJKSA-N 441.511 1.705 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740962393 BXBFULODUIDORZ-KRWDZBQOSA-N 440.548 1.431 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740989134 AXBCJHYYBBYTKJ-GOSISDBHSA-N 446.577 1.242 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740993902 FTUXXILTJHZHTH-QZTJIDSGSA-N 435.594 1.859 30 10 IDEE Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742793259 DNTBRBSYQMFMKC-ZDBRSUKYSA-N 445.524 1.464 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(CS(C)(=O)=O)CC1 1748773775 FVRFYONKHOJGAK-UHFFFAOYSA-N 440.367 1.940 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC=C 1748790754 LJBQUBAGJVQFPV-UHFFFAOYSA-N 429.550 1.122 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748811399 GIJRCDAMSYYTLF-PKOBYXMFSA-N 446.577 1.813 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1748816280 YNZJANMVKXFGJM-KRWDZBQOSA-N 432.550 1.887 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1748891983 XIZUKJDCLOYPPG-UHFFFAOYSA-N 440.525 1.756 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CC(F)(F)F 1748917447 YYDPUOCRKNVAMQ-UHFFFAOYSA-N 433.442 1.874 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCC2)CC1 1748994452 ICQXSPQRCMOUOH-UHFFFAOYSA-N 441.605 1.511 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749668623 BCRFOLQFXFOYMN-CABCVRRESA-N 430.475 1.547 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCCO1 1752387498 HCRZDCIRMBZLJJ-WMZOPIPTSA-N 445.545 1.779 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCN(C)C 1760112035 ZPECTHZCXOXTCK-KRWDZBQOSA-N 437.548 1.711 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1NC(=O)CC1(C)C 1760161002 TYFVKKUJACAQCE-MRXNPFEDSA-N 428.924 1.846 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1760175964 WDDAJQNSJLWJSW-LJQANCHMSA-N 443.573 1.443 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1760178956 HRBIJNITAPPCGT-GASCZTMLSA-N 440.570 1.058 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1760188438 PDXLNDSDYLKMGI-MSOLQXFVSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1760191023 ZLPLHEGSQYNBKJ-SFHVURJKSA-N 427.530 1.005 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1760193058 SAGNSVAJPYATFA-ULQDDVLXSA-N 440.566 1.054 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCc2nccnc2C)CC1 1760261805 WUQDKSGAUJTPAM-UHFFFAOYSA-N 431.544 1.996 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760380427 BNZDEBVIKIDUEA-HOTGVXAUSA-N 447.989 1.520 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCNC2=O)CC1 1760523070 LKCSNQVDQJAKEH-UHFFFAOYSA-N 438.536 1.335 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760528369 ANXDZKZJMTVTRM-QFIPXVFZSA-N 433.553 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccnn2C)CC1 1760548537 IWUHWCVNMOFYLT-UHFFFAOYSA-N 449.581 1.135 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C)C1 1760553201 OBPYKRLFBJWTPL-OAHLLOKOSA-N 436.534 1.788 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1760708824 OSXAQAJHUNTADJ-UHFFFAOYSA-N 439.520 1.722 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1761269934 GLTSXUKMDPXGEQ-HZPDHXFCSA-N 432.550 1.758 30 10 IDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)CCC1 1769327136 JHRQVAJKCIYINH-RTBURBONSA-N 439.516 1.994 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1771245840 AMJARIADZOVLPI-LJQANCHMSA-N 427.505 1.885 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1772793015 RRHUNOYNURCTHF-UHFFFAOYSA-N 434.401 1.215 30 10 IDEE CN1C=N[C@@H](C(=O)O[C@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)C1 1851918700 VZTDZFKBRVQMNY-IEBWSBKVSA-N 427.482 1.665 30 10 IDEE CN1C[C@H](CO[C@@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)OCC1=O 1853360572 DGXUNEYJCSIYFK-MOPGFXCFSA-N 444.509 1.653 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(=NOCCN1CCOCC1)C(C)(C)C 1853487227 MAHBJTGKNDIMRC-UHFFFAOYSA-N 441.550 1.768 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)c2nccc(Cl)c2F)C(=O)C12CCCCC2 1854404484 OMGXRRPFPYCOAM-UHFFFAOYSA-N 428.873 1.715 30 10 IDEE C=C(C)CN1CCN(C(=O)CCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)C(=O)[C@@H]1C 1854648830 QJEFUVLJVMFLNP-ROUUACIJSA-N 436.578 1.428 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(CCC#N)[C@H](C)C3=O)C2)cc1 1856199706 XDZROTFYUTVAES-MSOLQXFVSA-N 432.546 1.369 30 10 IDEE CCN(CCO)C(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869927950 JHBAVIPHBMIBNX-GOSISDBHSA-N 447.582 1.868 30 10 IDEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870144016 KPLVZLGTXDZUTK-UHFFFAOYSA-N 426.396 1.640 30 10 IDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706922 NUWGPMRXIXTMLM-UHFFFAOYSA-N 443.464 1.317 30 10 IDEE COC(=O)CSc1nnc(C)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874533745 ZLIYRADKCCBEKK-FYJGNVAPSA-N 449.533 1.453 30 10 IDEE COC(=O)C1(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2224099972 MLWAKPAUAOFAFI-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE Cc1c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255529585 MKRXWFAEPJTDOR-CQSZACIVSA-N 434.346 1.767 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255601657 HMLQMGBHHXGXJK-CMPLNLGQSA-N 430.236 1.381 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255610383 CDYKZDOSVGWYIH-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255624228 WQFZPWYDMNVPQG-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)[nH]n2)OC1(C)C 2255627563 VDXWRQNQQOWVPU-KRWDZBQOSA-N 426.326 1.340 30 10 IDEE Cn1cc(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255653505 JQMREHKYZABDKC-KGLIPLIRSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2255813160 MCXYELIUWNFOFC-HNNXBMFYSA-N 436.314 1.633 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844011 PDOBJHHOKJWGOS-KBPBESRZSA-N 432.330 1.666 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2267176629 CEAUXPDBOJYAMD-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183415 GDJXGNUJSNLRCV-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267275765 SCVGEYVEWBRPPM-UHFFFAOYSA-N 449.357 1.730 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267549789 PUMMIUYNPZEGRW-HZPDHXFCSA-N 444.341 1.619 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 102741893 SGARDXNBRHPBLO-HQMFNGAOSA-N 428.464 1.920 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)n1cnc(C#N)n1 409583482 UUMINUZUIFFJKA-LLVKDONJSA-N 443.316 1.551 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCOC)[C@H]3CCOC3)nnc12 428553896 YTQUYJPUDGSIBG-HNNXBMFYSA-N 443.529 1.586 30 10 IDEE CCOC(=O)[C@@](C)(NCC(=O)Nc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 430273460 NMCJGIJCAQJVSG-NRFANRHFSA-N 429.498 1.968 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 439933388 NZAIZAAGMSZTHD-BDXSIMOUSA-N 448.497 1.329 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 473842990 YKNNQGIJNVPBSY-UHFFFAOYSA-N 438.553 1.842 30 10 IDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OC)n2)c1=O 479373776 VIXGQELQPIGZJA-UHFFFAOYSA-N 433.489 1.894 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 494766660 BQBLOECPLHNNNU-UZLBHIALSA-N 427.549 1.909 30 10 IDEE N#Cc1cc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)ccc1F 504784124 FJFSBDGZSVMSCQ-UHFFFAOYSA-N 428.445 1.239 30 10 IDEE COc1cc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc2c1OCCO2 506152632 YNLAUFVGBSPGPI-UHFFFAOYSA-N 429.498 1.845 30 10 IDEE Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(OC[C@H]2CCOC2)c1 583115136 JTZVOYQOOGGQCG-SFHVURJKSA-N 443.525 1.877 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(F)cc1 603786807 OYGSEBJPIWGNSC-UHFFFAOYSA-N 441.459 1.443 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 603797643 FEDWFLHNQROGCT-INIZCTEOSA-N 427.501 1.353 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1C[C@@H]1CCCO1 603989540 CSGMYXSWKGMDSH-KRWDZBQOSA-N 435.505 1.598 30 10 IDEE Cn1c(=O)c2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)n(C)c2n(C)c1=O 609588527 PJEVHRGXQBILFV-ZDUSSCGKSA-N 430.262 1.333 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729669924 WRJPMDNVQRNCIJ-UHFFFAOYSA-N 444.516 1.980 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730142440 RIASALCNDFDYAZ-KRWDZBQOSA-N 437.541 1.351 30 10 IDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 762613097 QSVLIRMCKOUMIF-CZUORRHYSA-N 446.529 1.926 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccn(C)n2)C1=O 765546430 WUEXQINPRJZYFK-QGZVFWFLSA-N 432.525 1.759 30 10 IDEE COc1cc(C#N)ccc1COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 766864395 RCIDCMGNEYLTHH-MGPUTAFESA-N 432.498 1.955 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccccc1C(=O)c1ccccc1 772662811 CFKNVVQHWMLZBW-XUTLUUPISA-N 425.466 1.722 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@H]1CCCO1 772900072 LDHZIHCGKNWFRR-GOSISDBHSA-N 448.548 1.665 30 10 IDEE CC(C)(C#N)CS(=O)(=O)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 776144141 XUOMGYIROVDSJK-UHFFFAOYSA-N 442.291 1.431 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2S1(=O)=O 776350090 IAYQLFGDZZFBEC-UHFFFAOYSA-N 440.481 1.875 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 779661770 YBLZUCCGBVLTEQ-RDJZCZTQSA-N 429.525 1.878 30 10 IDEE C[C@H](C(=O)OCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)n1cnc(C#N)n1 798743524 ILJIYXXNAIAMJX-CQSZACIVSA-N 425.445 1.611 30 10 IDEE C[C@@H](C(=O)NS(=O)(=O)c1cccc2cncc(Br)c12)n1cnc(C#N)n1 798863531 GDNVNJQUVFYYDL-VIFPVBQESA-N 435.263 1.527 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C)CC1 800745769 CNTZDVLUNRWYCE-KRWDZBQOSA-N 447.584 1.354 30 10 IDEE C#CCN(C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 808901278 CLCQYJBKGGMQAM-ZDUSSCGKSA-N 429.901 1.970 30 10 IDEE C[C@H](CC(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C)/N=C1/NS(=O)(=O)c2ccccc21 812384443 NSRFJJVAQQXIKP-LLVKDONJSA-N 443.485 1.038 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 825186004 UVWQCRHTWAEPFW-KRWDZBQOSA-N 436.530 1.762 30 10 IDEE O=C(CCSCc1nc(O)c2ccccc2n1)NCCN/C(O)=C1\N=CC=CC1=O 1116108565 AMNSYRNFQYTAAR-CZIZESTLSA-N 427.486 1.601 30 10 IDEE CN1C[C@@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1136603883 NURALZASXZRASI-IBGZPJMESA-N 441.532 1.675 30 10 IDEE C=CCN(C(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCS(=O)(=O)C1 1142059772 YYYLVRHDNGKIAL-QRWLVFNGSA-N 441.550 1.734 30 10 IDEE C[C@H](Sc1nc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1)C(N)=O 1153865487 GBLMHAUVMYXJJM-GMXVVIOVSA-N 439.563 1.527 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2[nH]nc(OC)c2Br)s1 1175054091 LNQWXFHNWLPUNA-UHFFFAOYSA-N 435.325 1.888 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@@H]1N1CCN(C)CC1 1210977801 HWCDQDVESVRXRI-KDOFPFPSSA-N 441.395 1.967 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1 1286274304 LHMQSJZKKFXJQT-LBPRGKRZSA-N 445.325 1.657 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1286401503 RFODNCYUTHVVBA-OAQYLSRUSA-N 434.562 1.216 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(C(N)=O)CCOCC1 1286409654 SGKIMDARDHIDBC-UHFFFAOYSA-N 444.495 1.955 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1286431496 OPIGRXAMWHTACJ-FQEVSTJZSA-N 426.542 1.860 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286565887 QFNWJQPSLFIZMM-KNQAVFIVSA-N 430.597 1.858 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ncccn2)CC1 1286788858 IOGUNQWOGASRER-UHFFFAOYSA-N 432.532 1.596 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C2CCCC2)CC1 1286789415 DHJVRPQSXMIPGL-UHFFFAOYSA-N 429.569 1.157 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1286977330 HUDXFJXQVHBGJJ-HOTGVXAUSA-N 442.549 1.756 30 10 IDEE Cc1c(Cl)cccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1289269403 YQXBINNIZZCULS-CVEARBPZSA-N 435.937 1.919 30 10 IDEE C[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1291116432 MTTOHKCBKRYSLI-NYAYQYMKSA-N 427.509 1.382 30 10 IDEE CCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1=O 1296119246 QAYMQYLEEWTEOG-KXBFYZLASA-N 428.493 1.574 30 10 IDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC1(C)C 1298105036 JYNNQKJEQNFASO-UHFFFAOYSA-N 432.550 1.999 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298580352 SROIENFFWZDULX-RWNPKEDZSA-N 444.536 1.561 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300268253 PYYHNTYTRSYWOF-QGZVFWFLSA-N 438.532 1.487 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300357032 HHPQUXTZOGSYIH-HNNXBMFYSA-N 440.470 1.928 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300505559 CQOSFMGGOZLRLD-ZIAGYGMSSA-N 436.456 1.683 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)no1 1300606240 JRPJQMLTUUETQH-UHFFFAOYSA-N 428.518 2.000 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1300631210 NNOXKCDJTZURGJ-FQEVSTJZSA-N 438.557 1.933 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2Cc2ncn(C)n2)n1 1300681025 JZNQLDSLMYLASR-UHFFFAOYSA-N 449.494 1.744 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@H]2COCCO2)n1 1300681475 QWOPWVOSCVDPPP-HXUWFJFHSA-N 437.504 1.238 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1300926178 YCNUZDHWHGPLGK-UHFFFAOYSA-N 427.509 1.785 30 10 IDEE COCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCC1 1301142821 IFEKLPFBROZIKD-CVEARBPZSA-N 440.570 1.024 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@@H](F)C1 1301497405 VODXXHXHYQZFKE-KGLIPLIRSA-N 435.529 1.335 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(C)(=O)=O)C1 1303933010 FDONBWMSHWPHJA-FQEVSTJZSA-N 441.517 1.769 30 10 IDEE CCCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1307055113 OSCRYQINKLQMTG-ROUUACIJSA-N 438.536 1.919 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c(=O)n1CCO 1307389376 QUZIMUVTGRXTMS-HXUWFJFHSA-N 438.528 1.844 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C2 1313190887 OEUGYYWCAIECBV-INIZCTEOSA-N 445.467 1.186 30 10 IDEE CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1313814208 CTTKMTBMKRBQQC-GOSISDBHSA-N 438.536 1.494 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1314683792 VNWMXHAQCMECMF-HZPDHXFCSA-N 437.472 1.864 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CC1 1316207178 ZVRLPAILXPAGNC-MRXNPFEDSA-N 427.509 1.120 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1323360833 IWEGCXUHPBFVBP-MRXNPFEDSA-N 426.450 1.741 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1358960727 KMLZREVIPICNCD-YQVWRLOYSA-N 429.546 1.881 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358962483 QNICUHMZWCIPMY-SFHVURJKSA-N 436.578 1.758 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1358998875 WIIQCFUOCCBYGF-HMFYCAOWSA-N 448.589 1.209 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CC2)n1 1359028095 HEXNZPVBSVJLDW-KRWDZBQOSA-N 446.577 1.463 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCC(=O)NC)nnc1[C@]1(OC(C)C)CCOC1 1359105271 MCTKYOSJPZKWAU-LZNRXBQRSA-N 435.569 1.872 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1)C1CC1 1359251440 LJTWHKQYAMUGKV-HNNXBMFYSA-N 428.580 1.160 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359304564 BGRJVZMAUOAVEL-PBHICJAKSA-N 444.467 1.233 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1359514319 DKAKWNWILRFTEW-UHFFFAOYSA-N 448.535 1.322 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3nscc3I)CC2)c1C#N 1447780799 JLNURBCSEDLCGP-UHFFFAOYSA-N 442.286 1.624 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(=O)n(-c2ccccc2)n1C 1456040132 HXRNPXVHIVGLHX-HNNXBMFYSA-N 439.497 1.031 30 10 IDEE COC(=O)C1CC2(C1)CN(C[C@H](O)CC1(C#N)CCOCC1)C[C@H]2C(=O)OC(C)(C)C 1460754021 MVPYEDNVXNPFHJ-VQFNIZELSA-N 436.549 1.901 30 10 IDEE CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)O1 1466486942 VRCSWTVMXOSVLS-DOTOQJQBSA-N 435.322 1.509 30 10 IDEE CN1CC[C@](Cc2ccccc2)(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1467707537 PUMQVBLMCXGINL-BWKNWUBXSA-N 430.508 1.867 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 1470511042 IHPGOKVPGVOARV-NRFANRHFSA-N 434.544 1.733 30 10 IDEE CCOC(=O)CS[C@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1479165443 JTFVUGGDDJXXKG-LYZGCBJASA-N 438.428 1.039 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1505021697 YIJYFQALZZJHPH-LLBVYWAGSA-N 441.532 1.988 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCOC2)c1 1507550813 PQTWDCKRTADEPN-CVDCTZTESA-N 439.516 1.727 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507597131 VSDNRHHUPZIJBH-BZSNNMDCSA-N 444.536 1.182 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C)n(C)c1=O 1507604334 ABSQUPKDVSSQHK-UHFFFAOYSA-N 438.919 1.986 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507632978 QZTJXIXPSLUBOW-GJZGRUSLSA-N 436.563 1.007 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507633158 BYGOBZMGLLWBIU-OAQYLSRUSA-N 441.601 1.967 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1507650978 YILSWCJKKANHRZ-MOPGFXCFSA-N 443.548 1.881 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)c2cc[nH]n2)CC1 1507722781 INRBPDWYIBTLHI-UHFFFAOYSA-N 438.923 1.507 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN(C)Cc2ccc(F)cc2)CC1 1507723367 FXAJOYABSNWOLZ-UHFFFAOYSA-N 434.523 1.761 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)C(C)C)CC1 1507733233 QKOHKAUXJAHLMK-GOSISDBHSA-N 430.553 1.151 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1507754888 PTKCVKUYPMUEGD-HZPDHXFCSA-N 445.618 1.935 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1507758979 WVAYRAURHHFMFL-IOMROCGXSA-N 436.578 1.681 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507791578 NGUJPGBPQOELRM-ZCNNSNEGSA-N 444.580 1.848 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507829525 ATMGGNZBCVVGSF-QRVBRYPASA-N 443.596 1.432 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1507961920 IUVHEPOJNBRNNN-LJQANCHMSA-N 438.532 1.984 30 10 IDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1508155841 RKJKWSXRVNCFJY-UHFFFAOYSA-N 448.574 1.994 30 10 IDEE CCc1nnc(N2CCN(Cc3cccc(C)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513929164 JBWCBYRNUCNEBQ-GHVJWSGMSA-N 449.559 1.998 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)cc1 1516330853 HJBGTUHHZLDQKZ-WBODNSOJSA-N 446.451 1.753 30 10 IDEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)COC)CC2)CC1 1518979327 BIUFZYISOZTKFZ-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE CCc1c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C 1533085077 XQEIEJIIOSPLAX-UHFFFAOYSA-N 447.495 1.502 30 10 IDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1537003737 KRKXLMGXRXGNHJ-OPAMFIHVSA-N 431.489 1.785 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1538993612 OCEZYXBVLHSDMO-INIZCTEOSA-N 425.489 1.423 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1539072134 LPORSXYTDLFWCT-LJQANCHMSA-N 445.545 1.676 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1539295434 AGLYFLYROIXURW-DYESRHJHSA-N 429.546 1.259 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539512310 BLMUUQZOUSKBKM-LJQANCHMSA-N 448.637 1.877 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1539803764 NATMLHONOZWWDT-QWHCGFSZSA-N 439.916 1.845 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1539873702 BHLNHQDYPGAYHI-XOBRGWDASA-N 436.582 1.302 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1540074516 ZHSQGSAOQXMOSE-RTBURBONSA-N 439.626 1.939 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1540916554 YKSRJACWFKZADR-GOSISDBHSA-N 434.610 1.697 30 10 IDEE C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1544534937 NNCMSWWNQXJYPD-MKXGPGLRSA-N 432.569 1.789 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)CC1 1562363678 GAHQSHPIGNPLIU-UHFFFAOYSA-N 435.550 1.597 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)C1=O 1585502031 WBGROCILXXHNBI-ZNMIVQPWSA-N 436.509 1.361 30 10 IDEE CC(C)(C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1)c1ccc(C#N)cc1 1586684131 REUIYHKKEFBMSV-UHFFFAOYSA-N 426.561 1.913 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1587561115 BDHFEXDGDNBTMD-NEPJUHHUSA-N 430.456 1.808 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1587620234 BWACHQWOTOVNKQ-DLBZAZTESA-N 436.516 1.846 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1587723669 QQLWFHBVXAZTOO-GOSISDBHSA-N 440.533 1.348 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588050838 VUMIJXRWCIRGDD-RBUKOAKNSA-N 446.577 1.655 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1588083358 FRTRSNOGMJWWDG-KRWDZBQOSA-N 438.557 1.994 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588133622 JJYSTVXGLKOEIU-QZTJIDSGSA-N 439.482 1.898 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1588140680 ZTFKZMFVHJVZDG-HZPDHXFCSA-N 443.495 1.137 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CC 1588595716 ZMJLAOFAFKTETL-IBGZPJMESA-N 445.589 1.919 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1588645816 CJHPOTBBIKKMMR-GBESFXJTSA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2conc2COC)CC1 1588955456 XSEAKJUPBPBBMZ-UHFFFAOYSA-N 449.515 1.412 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(-n3cncn3)c2)CC1 1594015112 YKZLRDVQGAPUDF-MRXNPFEDSA-N 442.549 1.674 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595884095 HOXNFPRIVQYDGB-CABCVRRESA-N 427.596 1.062 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C 1595884915 WXPBOBQBNXWWIS-OAGGEKHMSA-N 429.612 1.765 30 10 IDEE CCOC(=O)c1cn(CC)nc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1603615221 YFNAQVKNUKLZIT-UHFFFAOYSA-N 433.490 1.537 30 10 IDEE CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613098549 DQMQOENSBLMPSW-JLCFBVMHSA-N 441.536 1.748 30 10 IDEE COCCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1617834782 XZXVVSOJODVTSW-QGZVFWFLSA-N 446.935 1.956 30 10 IDEE CN(Cc1ccoc1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1617987298 VQUAMCZENDAWJT-ZPHPHTNESA-N 439.476 1.270 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCc1ccnc(C#N)c1 1618800188 ABQGYDHXIJVRSA-USXIJHARSA-N 434.518 1.240 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1623617065 YCYVGCLJRRWKML-HXUWFJFHSA-N 441.381 1.673 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC1 1627015492 RUZKAUTXKJXQAD-UHFFFAOYSA-N 444.276 1.948 30 10 IDEE CCC(CC)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)N1CCOCC1 1629139715 QKJDZDHALFVBFP-LJQANCHMSA-N 425.526 1.990 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21)c1cc[nH]n1 1632428632 RKXGGNGQJLVKSL-MRXNPFEDSA-N 442.472 1.716 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1632586206 HRZRXMFGSZCPDU-IJEWVQPXSA-N 431.493 1.362 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCc2c(C)noc2C)CC1 1632960902 QBOQNXSGPVJMBU-UHFFFAOYSA-N 448.570 1.809 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1634998509 HRFWCAPJBOMVMW-SSEXGKCCSA-N 439.578 1.123 30 10 IDEE C=CCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3nnn(C)n3)c2)cc1 1636040765 DXMBQBZGRTUJSG-UHFFFAOYSA-N 428.474 1.757 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2)C1 1636304229 JQEQZOGEZVGYLY-GOSISDBHSA-N 434.514 1.622 30 10 IDEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1639373820 WNYCZAYUOCNXAC-PMPSAXMXSA-N 434.562 1.752 30 10 IDEE C#CCN(CC#N)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1645395457 PFSRCHDWHONQRR-BOPFTXTBSA-N 442.522 1.191 30 10 IDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NCC#C[C@@H]3CCCCO3)ccc21 1649135699 YCZUDNVPQJGRNN-INIZCTEOSA-N 427.505 1.645 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)C[C@H]1CS(=O)(=O)C2 1660452847 QZNVSGXQZKDDOL-IFXJQAMLSA-N 434.518 1.682 30 10 IDEE COC(=O)c1ccc(OC)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1660692707 DAMSSAQIXUUIIT-CYBMUJFWSA-N 439.490 1.615 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1665513079 MJCRZMAMYMPWFT-INIZCTEOSA-N 430.530 1.311 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1681805897 ZFMXYVOCVWUNIZ-FAEJEUNOSA-N 435.550 1.614 30 10 IDEE CC(C)(CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1COCC12OCCO2 1683842990 GAYNRWGNRRPZIR-GOSISDBHSA-N 429.521 1.637 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689989251 CJQGDVUZDVWFPO-LMGGTIKBSA-N 440.591 1.058 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C)nc2)CC1 1690131940 BARGUZQYEYSLJT-UHFFFAOYSA-N 435.557 1.777 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2ccn(C)n2)CC1 1690139306 GZDKBJONFRBWSX-UHFFFAOYSA-N 447.543 1.896 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1690673390 UZSDLTSZDDICOD-UHFFFAOYSA-N 428.512 1.757 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690725593 VORSFOLCNDTJGB-IRXDYDNUSA-N 426.583 1.852 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1C 1693121769 KXSGWFLFCXRQCU-RTBURBONSA-N 440.504 1.682 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2occc2C)CCO1 1696971992 AAMLLVZMBCPWDZ-LJQANCHMSA-N 436.472 1.630 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1697023613 SLIWKJKOAUVXRZ-QGZVFWFLSA-N 440.533 1.093 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1705558785 ICTMAFFOTBMWLV-MRXNPFEDSA-N 439.582 1.106 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCc2ccccc2C1 1705585160 MGERVPLWASPNEA-HXUWFJFHSA-N 430.556 1.920 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(-n2cncn2)c1 1705587579 ATCFHFAHVSQIKZ-FPOVZHCZSA-N 431.500 1.704 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705611002 MLGSVWSCWBFRIF-FUHWJXTLSA-N 429.550 1.399 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2cc(Cl)cn2)CC1 1705632019 FSHMGPPTSAWHAV-UHFFFAOYSA-N 432.960 1.502 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1705637590 DDBZDMGOZKKRTR-GOSISDBHSA-N 433.507 1.384 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(C)CCCO2)CC1 1705645671 ZSWBSZBLDMTUDW-VGSWGCGISA-N 433.553 1.537 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(-n3cncn3)c2)CC1 1705653019 WNEOLPJEOFROQE-UHFFFAOYSA-N 448.531 1.409 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705705376 HANDHLLSFLZGHA-HBFSDRIKSA-N 431.562 1.868 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1705843759 NHGDNFKJBWICPM-SFHVURJKSA-N 433.578 1.791 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1706076408 COIWSXJSWGPTKF-QGZVFWFLSA-N 439.545 1.838 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1709829534 SNMBTKQSGZXEJN-RBUKOAKNSA-N 435.532 1.790 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1711378848 ZMXIRXZROGWFHJ-HSZRJFAPSA-N 435.532 1.790 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722364330 FUXFXFMDHPNGEK-CABCVRRESA-N 425.555 1.380 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](Cc2ccccc2)OC)CC1 1722428781 APZMQAOPRLCYGI-NRFANRHFSA-N 436.560 1.527 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Cl)c(OC)c2)CC1 1722437093 PNBSPKQYHNDBGD-SFHVURJKSA-N 442.951 1.889 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)COC2)CC1 1722441742 TZSCELFYJOLEFI-HDICACEKSA-N 444.580 1.841 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722537624 PKKWEOHYRAXZAF-IXDOHACOSA-N 437.566 1.020 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722697313 ZOQHDHZPVZYFAT-QGZVFWFLSA-N 431.562 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722725080 DWPCDQUCOVVMPP-QGZVFWFLSA-N 429.550 1.061 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CC#N)CC1 1722796048 QGVYUQYEQQCNOU-HNNXBMFYSA-N 430.944 1.896 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CCCO1 1726724373 HWFUGZAEFILEQZ-SFHVURJKSA-N 428.537 1.922 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCn2ccnc2C)CCOC1 1728817985 OSADCCBZRDFSIJ-WIYYLYMNSA-N 429.525 1.644 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1740538178 DKPIELMEUYBTQQ-HNNXBMFYSA-N 431.518 1.649 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1740610536 DYDFNRHFQULJSC-ZDUSSCGKSA-N 442.467 1.037 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1740672125 XDBQFCZLCNAXRO-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)COCCO1 1740680771 NGURNEGNSMYDAB-JOCHJYFZSA-N 430.505 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(O)cc2)CC1 1740701033 RYIJREPTDIDTJP-UHFFFAOYSA-N 436.516 1.234 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1740863166 QJFUOMSKYGBJPP-JKSUJKDBSA-N 429.612 1.909 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740889257 YFXIHWAMJCMRHJ-SFHVURJKSA-N 428.541 1.288 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1740995524 OMPGBGBTRHLJDB-LJQANCHMSA-N 447.561 1.763 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1741131641 VBVZRUFUFRCOPB-MAUKXSAKSA-N 441.511 1.849 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1 1743196468 CEDUWXANTHPYMQ-KSFYIVLOSA-N 439.589 1.921 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743687045 IGXRBNLNABYFOK-BOJWAVRLSA-N 429.525 1.280 30 10 IDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CCOC1 1748495636 HAGSZLWFXAMQHD-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1748671566 KTCBHHDDWXEFKQ-RRFJBIMHSA-N 431.509 1.504 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1748732278 XQJCYMWXFFNKJL-INIZCTEOSA-N 438.598 1.385 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749047518 YAFLDTHNGSIIRY-SFHVURJKSA-N 445.545 1.183 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1749933389 NGHFBRHXNRYFPC-IBGZPJMESA-N 447.499 1.831 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(OC)nc1 1750027193 IGRKJHOPSHUDNW-APWZRJJASA-N 441.536 1.631 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760158175 FUHCGHKHCSXRMX-UHFFFAOYSA-N 449.515 1.866 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1760183786 SYXYVBBTTZORTE-QGZVFWFLSA-N 437.610 1.049 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC=CCC1 1760244843 JAQKBKFJOOWAJP-UHFFFAOYSA-N 443.573 1.697 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2cccc(OC)c2)CC1 1760257661 DDVQNAFECYZVPG-UHFFFAOYSA-N 447.543 1.477 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccco2)C1 1760550160 TYIMASHBHASSND-SFHVURJKSA-N 439.520 1.944 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1760554742 LNDQPUUNRRKCDQ-HNNXBMFYSA-N 449.581 1.585 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1760556737 ONSDALOVXIWVPO-QGZVFWFLSA-N 440.529 1.680 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1761542441 HWLIEHHKGVPZRD-JPYJTQIMSA-N 435.532 1.718 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)c2cccc(O)c2)n1 1761959793 KLZCOLSURWFFGU-LJQANCHMSA-N 447.499 1.903 30 10 IDEE CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1762349141 AVNLHZQZFLOTGG-KRWDZBQOSA-N 437.552 1.949 30 10 IDEE CN(c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1766972010 PWSGXKOVTWPYEV-QFPXGYFVSA-N 448.549 1.085 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1769056320 HYIBERYSZWCYQR-OAQYLSRUSA-N 437.548 1.596 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCc2ccncc2)cc1 1771532517 DHARLJMLMCRBSK-UHFFFAOYSA-N 431.500 1.925 30 10 IDEE COc1ccc2c(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc(OC)nc2n1 1853100137 UHBQEBNHQVUFAJ-UHFFFAOYSA-N 448.483 1.893 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCN(C)C)c(C(=O)OCC)c1C 1860760905 HTJBLUOLMOIDTG-UHFFFAOYSA-N 425.507 1.582 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCC(C)C)nc1C 1872649425 YIPIFXLBQNADTJ-UHFFFAOYSA-N 437.478 1.510 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)CC1=O 1872918175 UYIXYSULEOUPAN-MRXNPFEDSA-N 445.516 1.924 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2025610370 KBJUSUZBMZQGHB-QZTJIDSGSA-N 429.521 1.382 30 10 IDEE CN[C@@](C#N)(Cn1cnc2c(I)ncnc21)C1(Br)CC1 2206649509 ZLDJHKSCPWXYRF-LBPRGKRZSA-N 447.078 1.840 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2255530915 WRRBGUPERQPLCS-UHFFFAOYSA-N 438.330 1.846 30 10 IDEE C[C@H]1[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255625350 QDURKUKULLDZRN-DZGCQCFKSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632026 HLDQEUOLEDOKCE-OLZOCXBDSA-N 438.309 1.786 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1 2255640723 YRRZBZKLRSLZGJ-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255652666 XVUCBTZFVRBBFC-UHFFFAOYSA-N 430.314 1.611 30 10 IDEE Cn1ncc(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255829676 SZHAKIVJKZGNQD-OAQYLSRUSA-N 434.346 1.849 30 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C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(C)=O)C[C@H]3C)nnc12 477984698 DLLMINUSJNWKHB-CQSZACIVSA-N 440.529 1.402 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](COc4ccccc4)C3)CC2)o1 484551704 KBNKQUJLYWRQPG-LJQANCHMSA-N 425.489 1.283 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC#N)Cc1cccnc1 490171988 ARIYTZQFSXEAEX-UHFFFAOYSA-N 428.514 1.967 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(C(=O)OCC)sc3ccsc23)C1=O 500077573 WIXXOGRQMBUWON-UHFFFAOYSA-N 435.483 1.733 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)cc2C1=O 512990334 DILWJKSRZGYOCD-KRWDZBQOSA-N 433.464 1.878 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1C[C@@H]1CCCO1 514517039 VUTZYZBYSQOVCL-ZDUSSCGKSA-N 438.336 1.645 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 520840228 FYCLOIPIRSGPDS-AEFFLSMTSA-N 445.589 1.936 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccccc1 530653390 VRVWXTQCPXLWET-UHFFFAOYSA-N 432.530 1.697 30 10 IDEE 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COc1ccc(CCCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 560701753 JVOOKAFHTZXZFA-UHFFFAOYSA-N 437.500 1.368 30 10 IDEE COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2cccc(C#N)c2)c(O)nc1=O 576645526 STTSDOSVPKTQIC-UHFFFAOYSA-N 433.468 1.825 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1ccccc1Br 619436233 HOBSECQBYTWGNG-RDTXWAMCSA-N 449.305 1.746 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668274 FHUDURRVRPERFV-UHFFFAOYSA-N 443.532 1.635 30 10 IDEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665146 YNYHEJLIOFSVQD-MSOLQXFVSA-N 431.518 1.645 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1N1CCCCC1=O 732706475 KSMVNBQQWIQQTC-KRWDZBQOSA-N 425.489 1.349 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 734808527 PDPDGARCVUOQCB-FQEVSTJZSA-N 446.548 1.707 30 10 IDEE CCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 754351174 PJTFROAPSVNKFH-LBPRGKRZSA-N 435.440 1.250 30 10 IDEE 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443.932 1.815 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2ccccc2)CC1 1300723087 PNMFXPIDYRLHML-PXNSSMCTSA-N 434.544 1.999 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301257610 BUVGAPGDPYJZRD-QZTJIDSGSA-N 443.552 1.772 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1)C1CC1 1301326543 BZLIQRRXVBYCOJ-GOEBONIOSA-N 427.596 1.519 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1301407750 PWNKOISQRYXINM-LJQANCHMSA-N 428.493 1.107 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1301463082 MCPFNCRZPUTOGK-UHFFFAOYSA-N 445.574 1.726 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301491368 HQOJJJCWZIEEJM-MRXNPFEDSA-N 447.561 1.659 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCN(CC)CC2)C1 1301554726 LRTRZGAAQYZUSP-LJQANCHMSA-N 426.569 1.544 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1301567512 XQWBDJVFWXCFJA-NFBKMPQASA-N 443.548 1.714 30 10 IDEE 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IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 1442966078 PSTSZDRQKHZKRL-NSHDSACASA-N 442.592 1.410 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1CCC(CC#N)CC1 1447586531 QFXZTJCENCLWOL-GVDBMIGSSA-N 425.551 1.809 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC 1454716931 LNNKGMORPOPUGG-OAHLLOKOSA-N 426.491 1.140 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)C1 1460936279 ANMLEUVUJQQRDK-KRWDZBQOSA-N 431.562 1.962 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccc1 1469642695 BARYPNLOFBPKKV-HNNXBMFYSA-N 429.498 1.753 30 10 IDEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@]1(O)CCCOC1 1470421517 GUXYXMYJJZRXQZ-QFIPXVFZSA-N 449.573 1.643 30 10 IDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493231830 GKQSYADXINJIJY-SYPMDJANSA-N 427.509 1.238 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)CCCOC 1499165063 RZTCWPFUSHRIAP-KRWDZBQOSA-N 427.557 1.186 30 10 IDEE 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CON=CC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1618329071 FOYCIAKKHVSFNZ-UHFFFAOYSA-N 448.501 1.903 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCCN(C)C)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1621639120 CPIXLEDRZMFFGR-QGZVFWFLSA-N 448.593 1.657 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1627692104 GNGPCBBJLNZOFR-APWZRJJASA-N 445.951 1.623 30 10 IDEE CNC(=O)N[C@@H]1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1632538792 WKNLUDFXYVUPNT-SJLPKXTDSA-N 427.505 1.922 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NOc1cccc(C#N)c1 1635506217 DNOGVXGAIRKGJD-QGZVFWFLSA-N 431.470 1.210 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1635692879 OSJKLAGQAKCNLH-SIFCLUCFSA-N 434.493 1.466 30 10 IDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1645502789 HXAUSWJHDSLEED-KSFYIVLOSA-N 431.489 1.785 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2cccnc2N2CCC[C@H]2C1 1649195101 GECLTYYTAIEUJF-YJBOKZPZSA-N 425.514 1.631 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cc(Br)cc1F 1660902956 YJRMNJQGFSIIAP-JTQLQIEISA-N 428.276 1.538 30 10 IDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1672353951 UGWCMILARLOWKB-HNAYVOBHSA-N 437.422 1.369 30 10 IDEE C=CCN1CCC(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1677128916 YQTCYKMMZPWODG-KRWDZBQOSA-N 444.598 1.360 30 10 IDEE CN1C[C@H](CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 1685325785 UUCCEXHFUVCWGA-CQSZACIVSA-N 427.484 1.565 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1689825688 BGPSMJDMNPXDFO-RWMBFGLXSA-N 426.568 1.558 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689990638 QTYSQINRWFICFS-IAGOWNOFSA-N 447.561 1.706 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](OC)[C@H](C)CC)CC1 1690122526 UQEIOCSKOXHDJY-APWZRJJASA-N 428.537 1.822 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690311973 YDQUDKBAOLHGFS-QUCCMNQESA-N 446.596 1.902 30 10 IDEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690478221 PSDPEKZASIGSDX-UHFFFAOYSA-N 433.516 1.710 30 10 IDEE C=CCN(c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1690542493 QXTIZAIXIQHOJS-UHFFFAOYSA-N 436.607 1.817 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1690644458 MVBDOGOVVIIROX-IBGZPJMESA-N 447.561 1.677 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)C1 1690811900 BKPDVFNYTSJZQW-FUHWJXTLSA-N 429.550 1.621 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1692663984 VSKRVUDGRGCOSO-INIZCTEOSA-N 439.520 1.778 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC#N)CC1 1695872813 DVMNAEABLUEABK-AZUAARDMSA-N 427.601 1.904 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCO[C@@H]1CCOC1 1696298137 CHDSFHSQAQYXBC-QGZVFWFLSA-N 428.493 1.545 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1696441615 XFEJGOJOARFDJV-MBSDFSHPSA-N 440.548 1.515 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1696847562 LCXATIDUZRZGAA-LLVKDONJSA-N 444.293 1.871 30 10 IDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1697972337 PSTRNCUKCISALD-UHFFFAOYSA-N 437.548 1.644 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C(F)(F)C12CCC2 1698061818 VLEHYBDIXWIXKD-GJZGRUSLSA-N 443.520 1.982 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1705596558 ICCSMINLJDCYAO-OAQYLSRUSA-N 427.512 1.985 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(C)(=O)=O 1705617492 WPWFACTWHCXNHA-UHFFFAOYSA-N 444.605 1.147 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1705629751 UCQGFSKDGZVRAI-LJQANCHMSA-N 446.573 1.931 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC(F)(F)F)n1 1705631156 VEJVUMWPLQJPGA-UHFFFAOYSA-N 439.442 1.559 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1705667221 KISPDZKGNXRPET-AUSIDOKSSA-N 429.613 1.682 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOC[C@@H]1CCOC1 1705668345 JMVSQTRHIHMICS-ABSDTBQOSA-N 439.582 1.324 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(N)=O)cc2)CC1 1705762749 HKKSXDUHBJQQOM-CQSZACIVSA-N 433.538 1.584 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1705825234 NJAFDAUMJXLNCV-UHFFFAOYSA-N 432.569 1.848 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705843398 DMOCPYPZVZDLGI-WOJBJXKFSA-N 445.589 1.417 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1705869970 KNCKQMKANXSLNV-FRQCXROJSA-N 425.555 1.405 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(C)n1 1705884689 VPPHHEFQYGFDNI-HNNXBMFYSA-N 425.580 1.827 30 10 IDEE C=CCn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705893520 LPNYVTPJMCBINT-HSZRJFAPSA-N 446.596 1.687 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCCCO 1706422415 WVWZORFUAZGQFI-KRWDZBQOSA-N 428.541 1.252 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1708219590 DIGZMODSXORDKD-MODMUFLJSA-N 437.504 1.406 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCS(=O)(=O)Cc1ccccc1 1710744574 HLQNJQISJWFBOZ-GOSISDBHSA-N 433.534 1.548 30 10 IDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1712058174 AHLZYXHHUOGMMK-DENIHFKCSA-N 426.521 1.411 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC[C@@H]1C 1712072377 OUUJUYWCZGCNCI-MAUKXSAKSA-N 432.550 1.569 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722339761 CYJHLEVYGWROSK-GOSISDBHSA-N 440.479 1.882 30 10 IDEE C#CCCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722340719 GPFKUDFSIAXNGV-FCHUYYIVSA-N 428.537 1.829 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722366304 QWGCCIKVTBPIGM-HZPDHXFCSA-N 425.555 1.517 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(C3CC3)CC2)CC1 1722429192 ILGRNLSYJAZJQL-UHFFFAOYSA-N 441.624 1.826 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722465895 WGLFEJZDTVXLKC-MRXNPFEDSA-N 438.550 1.986 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1722502995 UYQSIXKPEFYLEB-QLDGJZPUSA-N 434.537 1.911 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722536355 UQQSNRRGBUUBMP-UHFFFAOYSA-N 447.584 1.623 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1722624413 CONKTVKCMDRHDW-OAHLLOKOSA-N 437.504 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCSC2)nnc1[C@]1(OC(C)C)CCOC1 1722731531 NAZWNYSHXVKXML-APWZRJJASA-N 444.623 1.861 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1722739033 SGBOFYKVHZEXNF-INIZCTEOSA-N 449.606 1.216 30 10 IDEE CC(C)OCCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1723733879 YWCYQZVHBFHNCP-UHFFFAOYSA-N 441.536 1.460 30 10 IDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)C1CC1 1729319080 CDDHDBNSFXQCND-LJQANCHMSA-N 428.562 1.638 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCN2CCSCC2)c1 1731178557 AMQUTPZHTNTRDU-SFHVURJKSA-N 439.589 1.957 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740589165 QGUYSEUIQWJVPD-IXDOHACOSA-N 428.537 1.946 30 10 IDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1740615404 CYTYMOFGAQFAHI-QGZVFWFLSA-N 447.948 1.823 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@H]2CO)CC1 1740696007 IZNUOBVFHUXFKU-SFTDATJTSA-N 430.597 1.164 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(OC)c2)CC1 1740701188 XLTPPAYFEJSINY-FPOVZHCZSA-N 425.533 1.814 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740792515 YVKHETTWFJLPPV-UHFFFAOYSA-N 442.568 1.998 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740956680 XVGCJPIKRWSKCV-UHFFFAOYSA-N 425.537 1.726 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)C(F)(F)F 1741924250 UWUVTILBZQXZBD-QMTHXVAHSA-N 426.440 1.919 30 10 IDEE C[C@@H]1N(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1743379243 ZEYNEIUZGLURBL-LZICOFPGSA-N 437.504 1.870 30 10 IDEE CCN(c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1745968847 KDJDOGZGUVUFDK-KIJUOZEOSA-N 448.549 1.085 30 10 IDEE CNC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1748276164 VDLNJGZKHFQAPD-UHFFFAOYSA-N 448.506 1.737 30 10 IDEE C#CCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1748763825 AZDBEVNTUVWWSV-OAQYLSRUSA-N 429.500 1.599 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1OC 1748784148 CRNSJHCTXCXYKK-DOTOQJQBSA-N 432.550 1.359 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1748869120 UPLMVIRACGZWCG-UHFFFAOYSA-N 441.561 1.146 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1748925971 PQDCJFFLNPFJKX-HNNXBMFYSA-N 446.520 1.471 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1748962315 DWPJQVFVNHSADM-GOSISDBHSA-N 432.546 1.710 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[S@@](=O)CC)CC1 1748999204 LVLICLMVEDFGOP-PMERELPUSA-N 431.562 1.390 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCN(CC)C2)CC1 1749008954 DQKYVOMEKZRLMC-UYAOXDASSA-N 428.581 1.827 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 1749010894 RTIJRWRHQZXDSW-UHFFFAOYSA-N 436.495 1.719 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749039495 VMMXTQXYZGALBB-QGZVFWFLSA-N 441.557 1.816 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1749187710 ZBTVBLABUAJUJK-SFHVURJKSA-N 432.569 1.953 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1749669735 JQSFBQFZCZLBGS-FUHWJXTLSA-N 426.496 1.740 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1749670653 UODVUOSBCLUAOY-IRXDYDNUSA-N 446.458 1.388 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2cccn2)CC1 1749683596 YUVKJKDECARTSF-ICSRJNTNSA-N 443.552 1.417 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1749729846 ULLNLYIMRXAVJW-OAHLLOKOSA-N 435.525 1.777 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1749756185 UKRUICOYPLRRED-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749771896 BNWOWWPARHYIBJ-PXNSSMCTSA-N 428.537 1.635 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760184671 KQRXVSWYKHPQAH-PXNSSMCTSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1760191122 AZPUWJAPAJOYCH-JFDDCEBESA-N 447.586 1.863 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](COC)OC)CC1 1760254694 GMOZKCYVWFXKKH-LJQANCHMSA-N 435.532 1.752 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760327600 JLEOYNRWHGRTIK-NLWGTHIKSA-N 432.569 1.321 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1760504913 FYLVGTZRKYDGLR-QKLQHJQFSA-N 430.505 1.969 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cncn2)C1 1760524971 PIRRALTZQSCPNZ-SFHVURJKSA-N 436.520 1.613 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760528035 PYDHWXBONYOMEG-OAQYLSRUSA-N 444.923 1.529 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)C(=O)NC 1760552899 FJDZJUNHGJYALZ-CQSZACIVSA-N 449.533 1.093 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1760692576 BNLPEBXVBUWEML-JKSUJKDBSA-N 442.611 1.147 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1764457038 DONJHUTXCDJLFB-YRPNKDGESA-N 432.569 1.995 30 10 IDEE CCN1CCN(c2ccc(Cn3c(CC(C)C)nnc3N3CCO[C@@H](C#N)C3)cn2)CC1 1767110097 WDNGEEJQUNXEHT-FQEVSTJZSA-N 438.580 1.791 30 10 IDEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1769012047 APDSATQGCVWSHX-QHCPKHFHSA-N 447.499 1.882 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)cn1 1769869975 HRASRFKROFZIBG-BGYRXZFFSA-N 437.504 1.558 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCCN2CCC[C@H]2CO)cc1 1770740466 QRSIDBHICPEJCG-FQEVSTJZSA-N 437.548 1.380 30 10 IDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)ON3C(=O)c4ccccc4C3=O)n(C)c2)C1 1772789616 CAGHKCSLLMTQRU-ZDUSSCGKSA-N 431.470 1.814 30 10 IDEE C=C[C@@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1850714207 DIDSXYXHPZFMRL-OAHLLOKOSA-N 430.530 1.530 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CN2CCCCC2)CC1 1855869559 COUOLWRDAVRBPW-UHFFFAOYSA-N 430.530 1.512 30 10 IDEE CN(C)C1CCN(C(=O)[C@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928328 USHUUCFQUOOVMH-FQEVSTJZSA-N 440.569 1.889 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 1870095919 ZOLMIULHUQJVNY-UHFFFAOYSA-N 442.457 1.915 30 10 IDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622481 QKXGRNYFUVVZIX-UHFFFAOYSA-N 429.525 1.423 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626393 SLQCAPBVKMGYQY-UHFFFAOYSA-N 428.504 1.655 30 10 IDEE O=C(N[C@H](C[S@](=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883403624 XQKVTYYYBALETK-PRAQEBQASA-N 427.478 1.723 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2015030354 DMVUAAFEXZHJDV-WDEREUQCSA-N 427.317 1.667 30 10 IDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nn1 2060785847 MEEDRVDLJMQGTQ-IEBWSBKVSA-N 439.520 1.617 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073754155 JUNNHGMXUMCKFN-QTCYRWPVSA-N 437.346 1.840 30 10 IDEE CC1(C)OB(c2cnc(N3CCCS(=O)(=O)CC3)c(Br)c2)OC1(C)C 2116072574 GAWYASVCXHLWDZ-UHFFFAOYSA-N 431.161 1.768 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905866 JYJOIMBSHALTII-NEPJUHHUSA-N 439.343 1.464 30 10 IDEE Cn1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2255655278 KDSNJXVAJMLGOI-AWEZNQCLSA-N 434.346 1.752 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2255844314 UUDVRRITDXFINF-ZFWWWQNUSA-N 432.330 1.904 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267011890 MAIREECQGWJSJE-RBUKOAKNSA-N 441.337 1.823 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)n1 2267116384 NYCKPKINWGMKJW-UHFFFAOYSA-N 447.345 1.340 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267138929 YZUMULSHDWQRDL-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2267143873 OCIVNONGIKKFKH-RBUKOAKNSA-N 438.337 1.434 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267183598 GXOKWFYFNPVUHZ-OALUTQOASA-N 436.365 1.923 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267267213 IXZCGJJWBVXRDQ-HOCLYGCPSA-N 444.341 1.857 30 10 IDEE C[C@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[S@](C)=O 2267353670 MJTHBDQDJOVIBC-ITSYKEIMSA-N 427.806 1.746 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267503801 JMFRMDDGJWTVPF-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2272636685 NQDMNBJPIYTJFG-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE CCOC(=O)[C@@H](C)N1C(=O)C(=NNC(N)=S)c2cc(I)ccc21 2295064345 YFLVZNHHWGAQSI-SSDOTTSWSA-N 446.270 1.127 30 10 IDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)ccc1O 2330785711 SZIYPTFNGODIIU-UHFFFAOYSA-N 435.506 1.802 30 10 IDEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1C 59829912 WGDFXHSUEJXLEM-FBCYGCLPSA-N 446.566 1.933 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n(C)n1 436284782 NOJFBQMMZMRXBB-QGZVFWFLSA-N 430.534 1.319 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 464861604 UVRMNPYSFBZMEP-KRWDZBQOSA-N 444.543 1.978 30 10 IDEE N#Cc1cc(N2CCO[C@]3(CCOC3)C2)cc(N2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-] 469559286 WLWMHNJRBFWFHM-RTWAWAEBSA-N 430.461 1.458 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 480953090 LTBCONRSAORBIX-UHFFFAOYSA-N 441.509 1.890 30 10 IDEE N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502034411 UHEHXUWCZPPGSU-OALUTQOASA-N 428.489 1.575 30 10 IDEE CO[C@H](C)c1noc(CN(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 537250290 BCBMYJPFQNNZIR-QAPCUYQASA-N 430.484 1.757 30 10 IDEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 549291197 VTQALNPHWZSJDI-KRWDZBQOSA-N 446.577 1.650 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@@H]1CCCO1 590914303 DXRGHWMXLYGNSJ-ZDUSSCGKSA-N 449.935 1.911 30 10 IDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)cc2)cc1 608798499 MRFFZVFQZBHGNE-UHFFFAOYSA-N 442.497 1.831 30 10 IDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CC1 611091651 NWJKNFOATUJRGG-CQSZACIVSA-N 442.944 1.936 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 732152948 CQVWWMWKMKKQIU-YOQQHEDESA-N 444.488 1.359 30 10 IDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)s1 736582229 JQRJHNMJGUUNHJ-UHFFFAOYSA-N 436.562 1.813 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1C#N 747495214 KHBJQKKXUADXAS-UHFFFAOYSA-N 436.468 1.223 30 10 IDEE C#CCN(C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 774247950 NWHJZGUIZNFNNB-KRWDZBQOSA-N 446.554 1.405 30 10 IDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc12 783006892 BNKJSBMRLYCRLM-AWEZNQCLSA-N 447.498 1.655 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 794579508 LBJXKZHLBLLBHR-LSDHHAIUSA-N 445.566 1.353 30 10 IDEE C[C@@H](C(=O)OCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)n1cnc(C#N)n1 798746438 UGYFJBQKQGYNDY-NSHDSACASA-N 438.275 1.305 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53 800255925 FNGFHJGTMJRQEM-WCARGRLMSA-N 437.496 1.822 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)ccc2c1=O 800668125 SOPJMSWRQYNXME-HIFRSBDPSA-N 436.559 1.319 30 10 IDEE Cc1ccc(S(=O)(=O)NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 807943367 TUFAZZCRRPFRJC-UHFFFAOYSA-N 432.321 1.717 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 809890004 RKRWVSYCBINCFC-MRXNPFEDSA-N 436.557 1.981 30 10 IDEE CN(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)S(=O)(=O)c1ccc(Cl)cc1 916179236 SCLZCZNYTOSBEW-UHFFFAOYSA-N 441.918 1.478 30 10 IDEE COCCOc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccccc3)c1=O)OCO2 920773307 MVVMECBIQRMKDC-UHFFFAOYSA-N 447.472 1.680 30 10 IDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1084452270 KBSVUNYVQHVLIQ-UHFFFAOYSA-N 439.410 1.238 30 10 IDEE CCOC(=O)N1CSC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1125126044 OWIHPFDNFKPHDV-QOBDKFOYSA-N 440.547 1.969 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c1 1140142153 PHFLYKOPHQROFP-UHFFFAOYSA-N 427.482 1.293 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 1143419486 NAHSWFVCSMADLN-HOCLYGCPSA-N 434.518 1.239 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1158009962 RUJRLZLUJILAAE-LZQZEXGQSA-N 447.557 1.982 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)ccc2c1=O 1158523931 QSOMALXXOJSZHK-AWEZNQCLSA-N 448.545 1.829 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1165489183 JCVIEYKMQXONIJ-MJGOQNOKSA-N 432.521 1.716 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1286285441 MVYHRLWQAVDMKE-VBKZILBWSA-N 429.550 1.174 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286396663 WXXLLIYGJVWNFB-PGRDOPGGSA-N 446.573 1.665 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC 1286404144 PNPCKEQVJNWMDF-UHFFFAOYSA-N 439.483 1.836 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1286466089 CIQKYQCCGNIPDV-UHFFFAOYSA-N 429.496 1.343 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccs2)N(C)C)CC1 1286471338 LENYAHQDSMCWGQ-GOSISDBHSA-N 441.605 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1286818674 MBUGQWROAIWTMC-UHFFFAOYSA-N 448.593 1.579 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCC2)CC1 1286818715 MXTPKYATJHPOFW-UHFFFAOYSA-N 433.582 1.344 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1288537119 CIAYHAPZBCRAKI-KRWDZBQOSA-N 425.537 1.629 30 10 IDEE CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1292455885 AMAUBZAVLSCENV-AQNXPRMDSA-N 437.548 1.823 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1296605606 HWVRENPGRRSWLR-RTWAWAEBSA-N 436.532 1.483 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300340211 WQJUJIGZIWKZCQ-HOTGVXAUSA-N 432.550 1.987 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 1300381495 FNZFKUSKCDEJFK-ICSRJNTNSA-N 425.537 1.922 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300423449 PYPMVFJUSFXXAG-UHFFFAOYSA-N 440.523 1.810 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300492243 MCZALPQYEFTTCB-INIZCTEOSA-N 430.534 1.321 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1300682775 JTUUNEYUSNVKJH-IUKKYPGJSA-N 443.523 1.852 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300742648 QIKLJZDSLFPSCM-SFHVURJKSA-N 442.589 1.956 30 10 IDEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCN(CC(F)(F)F)C1 1301583418 NVTPZWDYBWWHSO-HIFRSBDPSA-N 432.468 1.710 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1301584630 CLXPDWXZHSDYNH-OAHLLOKOSA-N 449.581 1.721 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301586882 KAFITLRWACOCIC-PKOBYXMFSA-N 430.578 1.538 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC1CC1 1303861617 HBRJFAKPCJMXKU-MRXNPFEDSA-N 443.577 1.887 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1304491963 WPVOQVRQONVYKP-UHFFFAOYSA-N 432.527 1.421 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1314890619 MNTSOFUWEVZGLK-SGRLSNSRSA-N 437.504 1.406 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1315355487 NVKQBNBFMFIFKR-XLIONFOSSA-N 443.504 1.887 30 10 IDEE CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1316359280 TZYUNAFHBKDTBW-MOPGFXCFSA-N 428.562 1.913 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1358957539 VSXRRRIMNQDDMR-WBVHZDCISA-N 442.607 1.243 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1358985736 GMDFVTYSVNYHDF-HSZRJFAPSA-N 427.549 1.652 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1358992871 ZDQRXQUZPKJDOE-ZWKOTPCHSA-N 428.537 1.853 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2COCCO2)CC1 1359046320 NIOQDHAAYHKACN-IBGZPJMESA-N 441.507 1.389 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1nnn(C)n1 1359257734 UJZJCNXITDVEQI-UHFFFAOYSA-N 432.492 1.037 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359295359 YVLSWAXLGZLWCB-SFHVURJKSA-N 434.504 1.159 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1359468118 FQLBIVZRNJNURP-LLVKDONJSA-N 444.359 1.523 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1360475806 DSYHLIRDQXZNRA-RYUDHWBXSA-N 441.451 1.836 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1360797336 OKBNXHBPPFEXPC-ZSVKVYQISA-N 441.536 1.239 30 10 IDEE CCOC(Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1)OCC 1448852981 YERKJEZRUWLFTQ-LJQANCHMSA-N 425.489 1.685 30 10 IDEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 1463790627 DWTUFFRULQDSNB-UHFFFAOYSA-N 430.486 1.397 30 10 IDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2cnc(C(F)(F)F)c(C#N)c2)cn1 1471827479 ZDACCHXGTXPHMW-CQSZACIVSA-N 427.408 1.708 30 10 IDEE COCCCN(C(=O)NC1CCN(c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 1479070726 GHLKIGZDXCNPGN-IBGZPJMESA-N 434.562 1.762 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)n1 1492746031 FXQMRDQSVOTYRX-JOCHJYFZSA-N 436.495 1.923 30 10 IDEE C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1494547934 AODRMKKYRAIEKC-APWZRJJASA-N 444.561 1.571 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1502694963 GWKCGQFKGSAMIT-XLIONFOSSA-N 449.533 1.457 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1503546573 UQJYJJTWTXRYHV-MSOLQXFVSA-N 437.504 1.810 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCSCCCO)CCN1C1CC1 1505323855 JJRBHOPNTWSQFC-LJQANCHMSA-N 427.578 1.556 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1507536100 AHXVAUQEPGEXID-JKSUJKDBSA-N 434.541 1.523 30 10 IDEE C#CCCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1507573083 BBXLKBOXMKSGCW-QFIPXVFZSA-N 443.527 1.989 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1507611356 PHQYWWVHYPHULM-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1507628445 HQILRJUOUPRMJD-FQEVSTJZSA-N 438.557 1.539 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507630721 GKRJILWNOIGCTH-LAUBAEHRSA-N 446.577 1.247 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1507750473 WHQWDDJIBSSUDR-UHFFFAOYSA-N 449.584 1.936 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NCC)CC1 1507803669 CJEPMEFRQNJYIB-YLJYHZDGSA-N 445.568 1.233 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)N(C)C 1509239903 DWDWGJMYGNUBBZ-LJQANCHMSA-N 446.577 1.818 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1539210215 BUHUFEYGEWNBQO-QGZVFWFLSA-N 427.534 1.001 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1539324113 PUTUMVFUVANKMF-WOJBJXKFSA-N 431.606 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2CCCCCC2=O)CC1 1539476780 DXSJSLBYWBKBRP-UHFFFAOYSA-N 426.565 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCn2ccnn2)CC1 1539484310 KOHAJLWBHIYMSU-UHFFFAOYSA-N 438.561 1.578 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)C(=O)C1 1539615524 JQCBFAMMYKWKBT-OXQOHEQNSA-N 444.580 1.989 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1540064542 XTVBVKDFZZDFBU-UHFFFAOYSA-N 428.518 1.415 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1)C1CC1 1540093981 AVRMWVJOGCNJSV-INIZCTEOSA-N 438.598 1.836 30 10 IDEE N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1540116417 YXDAABCATVLBHI-UHFFFAOYSA-N 442.497 1.274 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1540201708 YURFGKMEALGSDL-PGRDOPGGSA-N 427.505 1.908 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)C(C)C)CC1 1540867707 DYLPIBVFPCFIMC-UHFFFAOYSA-N 440.548 1.997 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540902943 URTYUPZBXIHTSH-LJQANCHMSA-N 437.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540903942 HQRKYOBPIZYKIL-SFHVURJKSA-N 446.577 1.360 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1554246648 OWKRIIBJCZWQRR-UHFFFAOYSA-N 433.534 1.697 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1555803606 UORCMDVDKCBNIJ-DFNIBXOVSA-N 429.546 1.849 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)C1=O 1557705045 DTFVILRXXLGNJS-UHFFFAOYSA-N 432.889 1.980 30 10 IDEE CN1C(=O)c2ccccc2[C@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1557940564 ZAHWVBIEJYLGLL-QGZVFWFLSA-N 426.498 1.448 30 10 IDEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1558656786 AKWFFFZLKJCLMO-AUUYWEPGSA-N 443.481 1.360 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 1570315840 QOXZQLPNVVRFTM-FUHWJXTLSA-N 433.530 1.680 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](C3CC3)C3(CO)CCOCC3)C2=O)cc1 1570873133 CBMGFPHSZIIKSJ-ICSRJNTNSA-N 440.500 1.447 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1=O 1585480805 XYBPLMHWESQMOK-UHFFFAOYSA-N 425.272 1.619 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)n1 1587561923 JATYZKNJYGSGQU-QZTJIDSGSA-N 428.537 1.740 30 10 IDEE C#CCCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1587894148 OHAXGDPILVJWRM-JOCHJYFZSA-N 425.537 1.769 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1587909526 MQPOOMFGIATNCE-MRXNPFEDSA-N 440.639 1.319 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1588185062 ABMPZSLZYRYYFE-VXKWHMMOSA-N 431.606 1.830 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCCC)CC1 1588791139 NOUBNIZZJAKNKJ-UHFFFAOYSA-N 445.365 1.989 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)[C@H]1CC 1595497093 POLSEKXOGAPRSS-OAHLLOKOSA-N 434.447 1.564 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595529687 DIQCTGPJAGKIHJ-SFHVURJKSA-N 436.520 1.361 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595569137 ANSPOTQHASIJNF-ROUUACIJSA-N 441.488 1.488 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595569274 DHLRKOMGUKBKCC-IBGZPJMESA-N 449.559 1.936 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1595569668 MTLCFOCTFBWMEX-SFHVURJKSA-N 440.552 1.358 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)C1 1595745857 XUYQCXIJRDGNNL-IXDOHACOSA-N 447.561 1.591 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595805508 PYHNWSKDQXHESL-XLIONFOSSA-N 426.583 1.852 30 10 IDEE O=C(CN1CCCS1(=O)=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598484121 WKIJNPZWGNFCCS-OCAPTIKFSA-N 430.317 1.651 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1611634166 VFIWNOPLMLARJZ-PBHICJAKSA-N 444.561 1.601 30 10 IDEE COc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1619475023 FNJQGQRLNONIIO-QGZVFWFLSA-N 430.534 1.762 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C2(CC2)C1 1623511012 MVJKMYPIOLHYPC-HNNXBMFYSA-N 434.518 1.241 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)c1 1625957589 RZKWJXYZPAFMPF-QGZVFWFLSA-N 438.596 1.574 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](C)CC#N)CC2)c([N+](=O)[O-])c1 1630840256 QJGSEANFCSQXJA-HNNXBMFYSA-N 437.522 1.824 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 1633340587 KASXQNZFXWHBIJ-HXUWFJFHSA-N 434.581 1.160 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1636571850 VVIAYKUHFCENCX-RTBURBONSA-N 437.566 1.188 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(CCN1CCOCC1)CC1CC1 1641198730 XJLSZGACSNOLIX-UHFFFAOYSA-N 434.562 1.076 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1Cc2ccccc2NC1=O 1642449710 FWGUERKFCDGHFS-GOSISDBHSA-N 440.525 1.965 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(N3CCNC3=O)cc2)cc1S(=O)(=O)NCC#N 1643562132 OCTDHIIBKUMBQY-UHFFFAOYSA-N 427.486 1.257 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](Nc2ncccn2)C1 1643608830 CCJJYLUKMYMAIG-WBVHZDCISA-N 442.545 1.643 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2nc(O)c3c(-c4ccco4)csc3n2)CC1 1654026074 WOINJJIXPRIYKX-UHFFFAOYSA-N 433.515 1.242 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1654152199 LBUCNNUJKFQEBR-FQEVSTJZSA-N 428.508 1.811 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OCC(F)(F)F)CC1 1670274194 KXEFPQUINPLBHU-UHFFFAOYSA-N 448.467 1.231 30 10 IDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(N2CCCCC2=O)cc1 1673239606 UAMMTJOGXLLMDJ-CQSZACIVSA-N 436.472 1.665 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1673635167 IZLYNHXKKCSHLJ-ZDUSSCGKSA-N 430.429 1.771 30 10 IDEE C#C[C@@H](C)NC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1683663693 DVWPTLIDQFYPAG-CQSZACIVSA-N 428.352 1.572 30 10 IDEE C=CCN1CCC(NC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1684042825 OVZUKLBBIVWKAK-UHFFFAOYSA-N 425.511 1.165 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1684732048 PTUSUVYYQBGMEO-GOSISDBHSA-N 442.545 1.690 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1689972325 LNHQFXOMKHCNQA-UHFFFAOYSA-N 429.834 1.924 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689986902 ZKCDELMVDSFJLM-KRWDZBQOSA-N 444.557 1.886 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCC(=O)NC2CC2)CC1 1690143858 DWKQNODSQIIFAY-UHFFFAOYSA-N 426.565 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1690143956 HOYDBFFIOMCFLK-RYQLBKOJSA-N 430.553 1.256 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1690298493 ZPTATDPOAACDEC-LPHOPBHVSA-N 427.571 1.272 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690345706 BCDZKDJOCMPLPQ-KBXCAEBGSA-N 440.957 1.418 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1690372117 ATPAMDRGNSHLIK-KRWDZBQOSA-N 444.561 1.684 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C)CC1 1690724973 ZYOLFPZBXNIEGU-CVEARBPZSA-N 430.596 1.407 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1691011419 XNHNWJZJDVMYFA-HRCADAONSA-N 429.529 1.936 30 10 IDEE CCOCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@H](F)COC 1696330709 RROAOVDDFJRLNS-HNNXBMFYSA-N 433.488 1.863 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCS1(=O)=O 1705498483 WTBCAMGOIKNVAC-WMZOPIPTSA-N 426.546 1.942 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705569560 HVYKMYDLLHOUOT-LJQANCHMSA-N 443.573 1.707 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1705613063 UZVYXEHOBYZTSV-MRXNPFEDSA-N 448.545 1.714 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705807074 SQGPRAUVMYLRKW-MOPGFXCFSA-N 443.596 1.718 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1706077612 KVSLQSDXYZLRNW-OAHLLOKOSA-N 429.550 1.885 30 10 IDEE C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 1708245307 IBWAHJARHMJKRR-QLDGJZPUSA-N 429.569 1.859 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1710898542 FQEXAVFHPUBABB-APWZRJJASA-N 443.577 1.429 30 10 IDEE CN(C)CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1711015258 UWRIUQYQELGQOR-AZUAARDMSA-N 426.521 1.847 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCOC1 1711025977 BCPRGOIYXHIRBE-WMZOPIPTSA-N 430.534 1.323 30 10 IDEE COC(=O)N1CCC(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1711465477 DBSMKXPOQUTVRW-GOSISDBHSA-N 425.493 1.471 30 10 IDEE COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712179448 NSHLZIALFSTWJH-LJQANCHMSA-N 436.495 1.842 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1722277460 NNOIRJIGHZYKIY-RRFJBIMHSA-N 447.561 1.727 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722337533 CUNGEJPJTALSSK-MRXNPFEDSA-N 426.546 1.884 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722363411 SNBGWPCFBCTWIF-YRISNDGFSA-N 430.530 1.112 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C1CC(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722369087 VLPJOXPVILGDHE-XGHPGWEVSA-N 433.578 1.853 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722369735 FMIYZKJJIMKGLN-IEBWSBKVSA-N 448.520 1.952 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1722382652 JEKLVMLBSRUJAJ-QGZVFWFLSA-N 428.537 1.602 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722390249 PJLMAQRVPYNNMO-SFHVURJKSA-N 429.546 1.739 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCn2cncn2)CC1 1722443462 SXUOOEYBFNWIFZ-UHFFFAOYSA-N 438.923 1.856 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(OC)c2)CC1 1722447557 MHUKEPKUJJMJOS-HXUWFJFHSA-N 437.544 1.999 30 10 IDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722606348 LYVIPSDLRWVDIF-OAHLLOKOSA-N 432.550 1.577 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1722699829 NLWWKLQOMWGBKG-UHFFFAOYSA-N 432.598 1.909 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1728630616 JLVIXJTYFFPEJY-UXHICEINSA-N 431.585 1.666 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)CC1 1728675690 FLWHGKXFUSCRBD-JOCHJYFZSA-N 441.536 1.456 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)C1CC1 1729566859 LMYVVYCLPSULKI-KSSFIOAISA-N 435.326 1.936 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)C1 1731181460 HNJNHLYQRWQSQD-GPMSIDNRSA-N 425.530 1.971 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740538024 JQDKOXMJDHQWEO-CVDCTZTESA-N 432.613 1.803 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740622912 KSNGQIUUNBOBDG-LJQANCHMSA-N 441.557 1.532 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(c2nc(C)no2)CC1 1740720054 PJIDTWQZLKNPHF-UHFFFAOYSA-N 429.550 1.842 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740957640 VKRIPWNCMQQICF-UHFFFAOYSA-N 428.541 1.170 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)NC)CC1 1740989830 YSWFZVCROUAEOV-UHFFFAOYSA-N 432.550 1.316 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741243851 YTVIFMZDHDNJBH-UHFFFAOYSA-N 444.561 1.979 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1745883239 CGCGHEJQQANUNR-UHFFFAOYSA-N 447.499 1.850 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1747971812 SSRNJFLWSQJXDY-NRFANRHFSA-N 440.548 1.781 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1748765682 QCKSSPSORGCUFG-YHEJKZAPSA-N 444.536 1.230 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748872356 ABAPCCRFZRWOMH-UHFFFAOYSA-N 437.525 1.219 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1748951069 SDJQWJCZKDGXQD-QFIPXVFZSA-N 449.552 1.495 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC(C)(C)C2)CC1 1748995207 ZMJAVGRAPPXHOS-UHFFFAOYSA-N 427.597 1.278 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749037834 GQXPVAOXAPVSKF-OLZOCXBDSA-N 438.497 1.314 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749114850 IAORQUFHFMIZPE-CQSZACIVSA-N 448.387 1.898 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1749230313 WSHCFWJCIYAEGN-SFHVURJKSA-N 439.582 1.750 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1749251423 FGBWBJJXGBZSDA-CYBMUJFWSA-N 428.950 1.149 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CN2CCOCC2)CC1 1749659210 YCCDAFSCOWISAU-UHFFFAOYSA-N 428.537 1.697 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1749704692 AAGSMMDAXHYORO-FUHWJXTLSA-N 449.506 1.872 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749755570 JPXKIHLDAWKZBV-ROUUACIJSA-N 435.594 1.919 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nncn1C 1749821544 CPBFUOUYQYXAOU-UHFFFAOYSA-N 437.508 1.691 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC=C 1760102611 NGUOCPXBLRJXRN-HNNXBMFYSA-N 436.559 1.407 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC(OCC)C1 1760113439 VCBXWMVRGMYLRK-IMHYJWESSA-N 439.564 1.840 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1760190805 ZROOEJNCBDNSNI-HOTGVXAUSA-N 446.602 1.894 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1760209137 WLVBQTBAAYHVRF-UHFFFAOYSA-N 440.529 1.213 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C 1760224487 MCJYKMGYXSTAIC-YCRPNKLZSA-N 431.924 1.861 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCOC2)CC1 1760254588 BUHRYZXJFHGDBX-OAQYLSRUSA-N 433.459 1.453 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCn2cc(CO)nn2)CC1 1760254970 RFPLYLNVKGZJMR-UHFFFAOYSA-N 440.939 1.528 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760373716 AOVXTEXKGQNCCW-ROUUACIJSA-N 430.940 1.883 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCOCC2)CC1 1760396559 FXZHSXBFAGVOJJ-MRXNPFEDSA-N 440.614 1.402 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1760514723 LORPAWKEGVVSCF-LJQANCHMSA-N 437.548 1.897 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1760557763 VUQWEKNWAUUWPK-UHFFFAOYSA-N 443.573 1.475 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760565661 CATLNZJBQORMNS-KSSFIOAISA-N 427.596 1.062 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760677506 IYKGLOMREQCKBW-FQEVSTJZSA-N 437.548 1.501 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760864793 AANIWRXRXDAKSK-GCJKJVERSA-N 425.537 1.782 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1762245594 GCTDXVUAVRMYBD-MRXNPFEDSA-N 434.522 1.333 30 10 IDEE CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)CC1 1765509162 YKTMKZMFOINWFG-ZVVDCOBXSA-N 449.575 1.470 30 10 IDEE CCNC(=O)N1CCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1767233509 ZPUHTQIKTIQCDO-QFPXGYFVSA-N 444.540 1.170 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1767959455 HIOUDFPVYSIPPE-UXHICEINSA-N 426.521 1.444 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1768976449 GNXYTHDQYJIWHR-GOSISDBHSA-N 431.518 1.555 30 10 IDEE COCc1nocc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1770874779 ZFKDNNSUFQAGAR-CYBMUJFWSA-N 448.281 1.947 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1 1772887719 VDONDQMQOCWBNC-UHFFFAOYSA-N 440.533 1.573 30 10 IDEE C=CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccccc1F)[C@@H]1CCN(C)C1=O 1848787900 OSDYGWIKYLXTAV-IAGOWNOFSA-N 425.526 1.764 30 10 IDEE N#Cc1ccc(OC[C@H](CS(=O)(=O)c2ccccc2)OC(=O)CN2CCOCC2)cc1 1852234353 XMQOIZXTKNPYRW-HXUWFJFHSA-N 444.509 1.655 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CC(S(=O)(=O)C4CCCCC4)C3)CC2=O)c1 1853972426 OJQGPUFDUMMTHK-QGZVFWFLSA-N 429.542 1.979 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855426715 HLANPYNWMGKAOA-HOTGVXAUSA-N 433.530 1.775 30 10 IDEE CC(C)(CC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O)C(F)(F)F 1856708431 XKJAKGWCJBCNBJ-LBPRGKRZSA-N 425.429 1.878 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N(CCO)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1857960950 VISRMXVFOGSYFY-FQEVSTJZSA-N 447.488 1.546 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(NC(C)=O)ccc3C)C2)CC1 1872932134 YQDJPAUSOJMLQP-GOSISDBHSA-N 426.517 1.847 30 10 IDEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(N(CCOC)CCOC)ncnc21 1873562540 IEOBPVWKVYIXOJ-IAGOWNOFSA-N 431.537 1.966 30 10 IDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873562798 UBPXOKPURUMNHZ-UHFFFAOYSA-N 448.527 1.769 30 10 IDEE CN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1C#N 2010547470 XMEOCVGXLPUXRD-AUSIDOKSSA-N 427.549 1.822 30 10 IDEE N#Cc1ccc(I)c(I)c1[C@H](O)C(=O)O 2060278752 KRCWPWFMMATYKM-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE C=C(CS(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)B1OC(C)(C)C(C)(C)O1 2247962493 ODKJXZGXVHAEES-IBGZPJMESA-N 436.383 1.994 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825783 FWCMJDASKJEXQI-YDHLFZDLSA-N 432.330 1.694 30 10 IDEE Cn1nc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2255843510 HYOAQCMOIZOTAG-HNNXBMFYSA-N 434.346 1.752 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256920993 WFXUAWUMZLXCDG-UHFFFAOYSA-N 425.294 1.981 30 10 IDEE Cc1ccc(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2264095396 DBFZZLVRMOGYQO-KRWDZBQOSA-N 434.342 1.796 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2264618649 OTAJJQBJUIUWNB-HUUCEWRRSA-N 448.329 1.475 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)n1 2267113508 UWPCYNGRZLIPHL-UHFFFAOYSA-N 449.361 1.539 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267278314 AXWIKWJIFIMVBV-JKSUJKDBSA-N 447.341 1.793 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267501074 SCFPWPZXPLTLSK-HKUYNNGSSA-N 441.337 1.823 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2267512405 MYJWRSVISOZHMJ-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267543855 LLMIUGLUTCQIKG-CQSZACIVSA-N 449.361 1.586 30 10 IDEE CN1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](CNC(=O)C(F)(F)F)C1 2268997582 HTJAVHSQFFXCOO-CYBMUJFWSA-N 446.254 1.319 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2312850996 FYPBQHXCSCRYRP-GUTXKFCHSA-N 432.330 1.694 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1C 2315527748 ZEQKARHIEPHWCY-ZIAGYGMSSA-N 434.346 1.671 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)n1C 2315635312 IJEUUANZXBDSGA-ZDUSSCGKSA-N 436.362 1.918 30 10 IDEE NC(=O)CSc1nnc(COc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329901719 CHRROIWYBRSVRC-UHFFFAOYSA-N 428.430 1.931 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)n1C 2337329907 IWLAFEKDMLMWAQ-SFHVURJKSA-N 444.263 1.311 30 10 IDEE C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)c1ccccc1)c1ccc(O)cc1 107101766 MMVXIKIRVKWRMI-GDQCRLHRSA-N 434.456 1.699 30 10 IDEE CN1CCN(CCOc2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)CC1 443326683 LGAFGCSYZBANIQ-UHFFFAOYSA-N 427.549 1.697 30 10 IDEE COCc1noc(CN2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)n1 444729756 GKPNNBWEIDOSIN-KRWDZBQOSA-N 442.520 1.678 30 10 IDEE COc1ccccc1N1CC[C@@H](N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 464865165 WLFBAMAVNOOBQM-LJQANCHMSA-N 440.525 1.679 30 10 IDEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)cc2Cl)c1 476513693 MSHOFFHQMMVONT-INIZCTEOSA-N 441.875 1.998 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(-c2ccccc2C)c1=O 478759371 XLWTVYTZGHOAPO-KRWDZBQOSA-N 448.548 1.923 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 479346661 JQNAMYLCWJTHIT-ICSRJNTNSA-N 435.532 1.724 30 10 IDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)c1 503626027 IHMLVKSCEUKXBD-UHFFFAOYSA-N 428.489 1.140 30 10 IDEE CNC(=O)c1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 504377977 IJSQIVSEZGDREN-UHFFFAOYSA-N 440.525 1.384 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@@H]1CCCO1 505699541 JIIYSDACBSMOFI-KRWDZBQOSA-N 437.521 1.863 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 506274594 XDLXJBNNKJZTRV-UHFFFAOYSA-N 436.491 1.862 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 513785238 IYAMHDPRRHAJFB-UHFFFAOYSA-N 438.553 1.539 30 10 IDEE C=CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544639372 DONBVLCQHBERNP-UHFFFAOYSA-N 447.476 1.849 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)C[C@H](C)O1 554972787 PJCROCYCOWYIOV-HOTGVXAUSA-N 443.529 1.162 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCOC3)CC2)n1 559243341 UHMAKBYKQAITKS-GOSISDBHSA-N 430.516 1.894 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H]3CCOC3)CC2)n1 566334316 PTIXMEKSIRCLTH-KRWDZBQOSA-N 436.520 1.144 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 573380800 BGKZHLWIJWKWMN-AWEZNQCLSA-N 437.488 1.966 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588216096 OLJOTCDRPJRUQX-HNNXBMFYSA-N 436.538 1.069 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@@H]1CCCO1 610929050 SWCYUQWPBDIWJK-ZDUSSCGKSA-N 437.974 1.831 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)C1=O 726042528 DGCYLVUJDTZEGQ-GJZGRUSLSA-N 437.452 1.926 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)Nc3ccccc3)sc(=Cc3ccoc3)c2=O)CC1 727418268 PMBCILAFMGYLPS-UHFFFAOYSA-N 434.521 1.911 30 10 IDEE C#CCNC(=O)CN1CCN(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 728570354 AGDQGSXNEHVTSZ-DEOSSOPVSA-N 430.552 1.528 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730143872 XCFOXUGIPHCVJF-IBGZPJMESA-N 447.605 1.829 30 10 IDEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)sc2nc3n(c(=O)c12)CCCCC3 731888150 GGIBABYFJPLFMG-FBMGVBCBSA-N 441.513 1.749 30 10 IDEE N#C[C@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 732908365 JKCQSWXHYJXYHH-LLVKDONJSA-N 428.392 1.021 30 10 IDEE CCOC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 741249774 YHPZOOWFHTVWDQ-OXQOHEQNSA-N 444.532 1.620 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H]1CCOc2ccccc21 742144676 SAQRYXVARUQDDH-GOSISDBHSA-N 433.489 1.680 30 10 IDEE CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 744788312 KGRRNOJUEAWRPR-KRWDZBQOSA-N 436.486 1.595 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NOCc2ccc(F)cc2)cc1 755561971 AZDBVVNNDAZKDE-HKOYGPOVSA-N 448.476 1.825 30 10 IDEE COc1cccc(C[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)n2nnnc2C)c1 760387578 CSNZSVQNDGNDIX-GOSISDBHSA-N 446.533 1.694 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cncc3ccccc23)c1=O 772903929 DRIXWHQPBFYPOL-UHFFFAOYSA-N 434.521 1.276 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 780854374 CNYCUPIDGGPTHQ-SFHVURJKSA-N 437.880 1.917 30 10 IDEE N#Cc1ccc(C2(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 781399553 LBGCMHZXHXLJCG-UHFFFAOYSA-N 427.482 1.139 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)N(C)C)c1 785360050 YWDSHZQGOKZHKB-KNTRCKAVSA-N 430.552 1.110 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=C3CCOc4ccc([N+](=O)[O-])cc43)nc2)CC1 788419139 GNORPKCYSANSOR-UHFFFAOYSA-N 446.489 1.525 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC)S/C2=N\CCc2ccccn2)C1 797814594 GYRZTSCGTKMDBE-BVZAETRVSA-N 432.546 1.792 30 10 IDEE Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 799254716 DNODWFDPTFLUCM-FBMGVBCBSA-N 442.863 1.415 30 10 IDEE CS(=O)(=O)N1CC[C@H](COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)C1 801202704 LKCUMWJFLPAZNJ-VIFPVBQESA-N 439.437 1.594 30 10 IDEE C#CCN(C(=O)Nc1cccc(C(=O)NC)c1Br)[C@@H]1CCS(=O)(=O)C1 806735069 JKLQXSBFESFZGD-LLVKDONJSA-N 428.308 1.463 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cc1 808113201 ASXZTFYUWSMINW-HNNXBMFYSA-N 445.497 1.975 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2nccc3sccc23)CC1 811533046 OEUSTPSTATUVHI-UHFFFAOYSA-N 441.538 1.684 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 916178474 ZIIYCNVMQLDGRO-UHFFFAOYSA-N 435.527 1.849 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2C1=O 916416216 OWTIQALFFQDQMD-UHFFFAOYSA-N 442.449 1.880 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1F 919075938 ZBHLXWXNKMHMJU-SJORKVTESA-N 440.493 1.617 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3nc(O)n(CC(F)(F)F)c3c2)CC1 1136632762 KVNMXWYIPXXTOV-UHFFFAOYSA-N 437.422 1.202 30 10 IDEE C#CCN(CC(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1)C(=O)OC(C)(C)C 1154209914 DHJUKDVDZZJXQE-UHFFFAOYSA-N 433.509 1.676 30 10 IDEE C#CCN(C(=O)CC1(n2cnnn2)CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1155366633 BZJNVRWGHDMJKN-UHFFFAOYSA-N 432.525 1.430 30 10 IDEE C#CCn1cc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cn1 1156662057 UWAWKJVZUDRJMA-QGZVFWFLSA-N 436.921 1.019 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1181103420 KQDNHOHEXLEYSU-YOEHRIQHSA-N 429.420 1.256 30 10 IDEE N#CCN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)C1CC1 1190692514 YXHJCIJDSFKELJ-YVLHZVERSA-N 444.538 1.721 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c1 1198534126 UUZWBEMCIHNYQS-HZPDHXFCSA-N 436.477 1.773 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1286302007 BGRQGMFEZLVVGI-QVKFZJNVSA-N 427.530 1.358 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1286479276 LEPIQDDIRLHOBO-WOJBJXKFSA-N 439.539 1.426 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCS(C)(=O)=O)CC1 1286483467 LPDXTGOQCINFTJ-UHFFFAOYSA-N 445.589 1.262 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(NC(N)=O)cc2)CC1 1286492539 IFCWXNGVLVAWFO-UHFFFAOYSA-N 437.548 1.981 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1286504784 PZRPDVFZDFHACY-KRWDZBQOSA-N 436.545 1.189 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286511443 LFGKBTXNFUPKOF-JOCHJYFZSA-N 436.541 1.812 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1286581108 FYARFXFWMULDLL-CVEARBPZSA-N 429.612 1.909 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1286727763 ZAXMDHYMEIKFGR-INIZCTEOSA-N 432.529 1.891 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286789971 YTWVPFZYYPPVGD-SJORKVTESA-N 440.504 1.114 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1286801890 JTCQPSNYIAFUCP-HXUWFJFHSA-N 436.516 1.847 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@@H](C)C1 1300310931 QCIIEMQMIWDKNU-XSLAGTTESA-N 439.582 1.274 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1300311663 VFLLTZJCUBXLPB-DLBZAZTESA-N 437.541 1.707 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1OC 1300399935 NFCGIPDOUJYORH-GOSISDBHSA-N 432.498 1.931 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1300671160 DDHVDPWHBPAFDR-SFHVURJKSA-N 432.546 1.518 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300675379 AUCSJHHPVRKTDS-WEMPKCCASA-N 434.537 1.426 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCc2nc(C)no2)CC1 1300703316 GDPHBFAILALAEU-UHFFFAOYSA-N 435.532 1.957 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300777817 DIYDXNHAYOOGHX-LSDHHAIUSA-N 430.538 1.028 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1 1300892868 VYISJJWQKQENRP-KNQAVFIVSA-N 444.580 1.734 30 10 IDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1 1301527120 URCHXIWXTAQOJO-QGZVFWFLSA-N 436.520 1.986 30 10 IDEE C=CCOc1ccccc1Cn1c(Nc2ccn(C)n2)nnc1[C@H](C)NS(C)(=O)=O 1301534440 ASCHGAPUTNJOOT-AWEZNQCLSA-N 431.522 1.979 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnn(C)n2)C1 1301541761 COVDBRJBYIRUCV-AWEZNQCLSA-N 430.900 1.960 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301579166 OVLHULJRNGHDSF-QGZVFWFLSA-N 429.550 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301588585 HXERQSUMNKAYIA-FUHWJXTLSA-N 434.566 1.185 30 10 IDEE COCCOc1ncccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1302140560 OBKSLXXTASEYPM-IBGZPJMESA-N 435.488 1.461 30 10 IDEE CCCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1307036236 NIUCJSNRAPEHGD-HZPDHXFCSA-N 425.603 1.749 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1313916189 XILFVMYFESNRHU-WOIUINJBSA-N 432.569 1.922 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358949183 UTQLYIRXPUURHY-SFHVURJKSA-N 439.545 1.495 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCn1cc(CO)nn1 1359065393 PPOUFYXNLHSGGD-YADHBBJMSA-N 443.552 1.485 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1OC 1359114143 ZBAJZJJMQNMEAV-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1359126664 VESJVWGUOKYYTC-UHFFFAOYSA-N 448.597 1.750 30 10 IDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1359144580 NAPNRDFLSSHTGX-UHFFFAOYSA-N 433.900 1.864 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCO3)CC1 1359159439 WHPWKMCEAMZDFP-HNNXBMFYSA-N 433.534 1.864 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N(C)C)C1CC1 1359247440 BSIPXUZDCPKFQQ-UHFFFAOYSA-N 446.577 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359296436 JDSXZDFRSMUBAM-LJQANCHMSA-N 432.488 1.430 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCCOC2)C1 1359303975 GYPDOTNHWKNLBN-OAQYLSRUSA-N 444.561 1.579 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1 1359333911 NRPWMBCGLWILBA-UHFFFAOYSA-N 449.552 1.701 30 10 IDEE COC(=O)C1CC2(C1)CN(C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]2C(=O)OC(C)(C)C 1460753968 MVPYEDNVXNPFHJ-POTGORPSSA-N 436.549 1.901 30 10 IDEE C#Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1 1460892047 XWDYDOLZOAUKDD-UHFFFAOYSA-N 425.510 1.451 30 10 IDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1460896204 ACXVLGGKZYBDQZ-GOSISDBHSA-N 429.521 1.736 30 10 IDEE N#Cc1cn(CCNC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c(=O)nc1O 1470360131 DLBHVMXYFZAWNV-LBPRGKRZSA-N 436.255 1.297 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]32)c(=O)nc1O 1470994837 HNZMFOAMPVMOKR-BPLDGKMQSA-N 430.262 1.221 30 10 IDEE CNS(=O)(=O)c1ccc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1472619080 VNLYVIZSBOTWKB-UHFFFAOYSA-N 431.470 1.041 30 10 IDEE C#CCN(Cc1csc(CN2C(=O)c3ccccc3C2=O)n1)[C@@H]1CCS(=O)(=O)C1 1473258795 NYGDXKMMNCLMKY-OAHLLOKOSA-N 429.523 1.562 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1501788559 KRYWKNPLWDELGC-LJQANCHMSA-N 441.536 1.633 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNC(C)=O)CC1 1507716176 NPMRGYVDVRNKPY-UHFFFAOYSA-N 437.548 1.429 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2Cc3ccccc3O2)CC1 1507718361 CQNRYNVYWNMVCL-ICSRJNTNSA-N 425.533 1.761 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(F)F)cc2)CC1 1507727876 UVTBLWRPUDHJPF-UHFFFAOYSA-N 444.486 1.805 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1507728566 ZPQRZCVVAZWPAL-UGKGYDQZSA-N 442.608 1.997 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)NC)CC1 1507900144 HFEJEVNZHOMFBF-UHFFFAOYSA-N 433.534 1.668 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507965472 GPNHTBIFUJYFOX-SJORKVTESA-N 432.525 1.489 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1515095919 KNCVYQAQMSYXAA-HSZRJFAPSA-N 437.548 1.644 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(I)n1 1515393134 OJRRQAPOTXPYMR-AWEZNQCLSA-N 449.252 1.822 30 10 IDEE Cn1cnc(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)n1 1517401097 BFEAMGNVVINGOQ-CQSZACIVSA-N 429.282 1.613 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1519368303 GHCDUOYWWLMSAQ-UHFFFAOYSA-N 448.474 1.830 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1524653299 QRETZHDIWCBOCX-AWEZNQCLSA-N 433.452 1.408 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 1532530048 XXFSMGWCSGGDON-KRWDZBQOSA-N 428.445 1.813 30 10 IDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)C 1538267236 QAGNVRBIHBFHIE-UHFFFAOYSA-N 439.965 1.823 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1539257663 VPIVLKRGCDSLBK-JOCHJYFZSA-N 437.525 1.059 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1539371156 PKAAIBPCPWZQNY-INIZCTEOSA-N 432.525 1.348 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)N2CCOCC2)CC1 1539429652 AZDFUPKLDVTVDI-OAQYLSRUSA-N 436.560 1.434 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1539516820 DPBHJAXAWAVAOX-DOTOQJQBSA-N 449.602 1.993 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1539632488 SCQQRGAJHBRFHE-WKULXVSPSA-N 440.566 1.011 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539743032 SFWYHXWDXCDNBP-UHFFFAOYSA-N 440.552 1.072 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1540877023 IMTZXDYLVBESCI-HSZRJFAPSA-N 438.532 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1540904249 LQBISBLADPARNL-UHFFFAOYSA-N 433.582 1.948 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1541728158 FVMMRLREXLCGCO-UDKICSLYSA-N 433.553 1.989 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1541803475 IPSXRGLNGAZLFV-CABCVRRESA-N 435.529 1.413 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNS(C)(=O)=O 1546316938 XVTNOPCDSWLSGK-KRWDZBQOSA-N 448.549 1.088 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1546856026 FKCSDNPLGLMFKF-NVXWUHKLSA-N 440.504 1.955 30 10 IDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cc(C)n(C)n1 1548369477 IJRVEFHNEOLPSB-QGZVFWFLSA-N 434.422 1.696 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCC[C@@H]1NC(=O)NC1=O 1554163218 OTKSJUPWEFVXHB-SFHVURJKSA-N 430.472 1.836 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1555419271 IJWKXRDSRKYIDX-AOMKIAJQSA-N 442.520 1.881 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCOCCCO)c1 1555987951 UXAGVHSLUYDVOI-NRFANRHFSA-N 445.545 1.231 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCOCC2)CCO1 1555992095 GMZPUAKYEVKSMC-LJQANCHMSA-N 441.492 1.694 30 10 IDEE N#Cc1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)ccn1 1562024007 HSZGCZLHLTYPBA-UHFFFAOYSA-N 434.543 1.996 30 10 IDEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C)C1CCN(C)CC1 1564717912 ZDKJAKRZKUTWIA-UHFFFAOYSA-N 426.970 1.666 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1OC 1584308813 XIXPZVISNORONY-HZPDHXFCSA-N 431.489 1.965 30 10 IDEE COC[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1584367168 DBHCRYMHKUMEOC-SFHVURJKSA-N 437.562 1.843 30 10 IDEE C=CCn1cc(C(=O)N2CCC(N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)CC2)nn1 1586559081 IVJJPMAUSCHBJI-SJORKVTESA-N 446.508 1.509 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1588039693 CDLZUOKNRINBHE-IBGZPJMESA-N 441.557 1.436 30 10 IDEE C#CCN(c1nnc(CC)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1588059024 HSAKHGZYVSPJEV-INIZCTEOSA-N 433.534 1.189 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1588385072 FCONAECJYJENHP-HNNXBMFYSA-N 438.579 1.138 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCNC(C)=O 1588472548 GKGPVEPIFAYRGN-UHFFFAOYSA-N 426.496 1.819 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1588593567 BQCGBRYNGAXMHP-UHFFFAOYSA-N 449.458 1.491 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1588924036 UPWWUWFMFZFFQB-UHFFFAOYSA-N 430.553 1.988 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589006692 GSSPYNNXXWGQLL-GOSISDBHSA-N 449.540 1.656 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1595577267 NDSCIUMFQXKOMF-MOPGFXCFSA-N 436.516 1.894 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(OC)CCOC2)C1 1595744289 LEMZWRFJUGKXHR-IIBYNOLFSA-N 447.561 1.856 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1595866639 SBVDINMWXDDSAA-QGZVFWFLSA-N 431.566 1.425 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H]([C@H]2CCCO2)C1 1597116542 DLLHNUTXRBFXEV-JEBQAFNWSA-N 438.477 1.696 30 10 IDEE CC(C)(C)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1597206239 SZQVHWPBBDNLJX-YOEHRIQHSA-N 433.534 1.944 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC2)C1 1597629238 BIMNCAFKKXHMKC-WCXIOVBPSA-N 432.525 1.814 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc[nH]n1 1616286087 WGKXZFAHCIFHPO-GCJKJVERSA-N 446.479 1.723 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCOCC2)C1 1624432686 BHXIAFGLWFOTCP-SFHVURJKSA-N 448.589 1.609 30 10 IDEE C#CCC1(NC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)CCOCC1 1624609268 CJZNSSPTSSFYSJ-INIZCTEOSA-N 431.489 1.689 30 10 IDEE C=CCN(C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)[C@@H]1CCS(=O)(=O)C1 1626456231 ICLZWXQKPJDJKP-KUHUBIRLSA-N 432.514 1.164 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(COc3cccc(C=O)c3)c2)CC1 1636475250 AAHMMJQLZPMWQG-UHFFFAOYSA-N 441.509 1.304 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1636856638 AUFAMUOZFWZDHL-QRVBRYPASA-N 436.574 1.977 30 10 IDEE COC1(OC)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@H]1O 1639790308 DUAKGSJGIABRGP-RTBURBONSA-N 445.516 1.975 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CC[C@](O)(CC#N)C3)c2C(F)F)C1 1639946780 RSBMUHJYWIMBOA-HXPMCKFVSA-N 440.451 1.888 30 10 IDEE O=C([C@@H]1CCCN(C(=O)c2ccncc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854533 GPUBIKYJBCQLMQ-QGZVFWFLSA-N 436.468 1.838 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccno2)CC1 1643391153 PTADYZUSRSQFFN-SFHVURJKSA-N 445.545 1.616 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1 1648259553 PUVGSYGZEWHAQE-HOJAQTOUSA-N 426.517 1.448 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 1652921651 FJRBWKWHZMEKKN-BSBNDGSWSA-N 430.892 1.977 30 10 IDEE CO[C@H](C)c1noc(CN2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)n1 1657490388 VYFJYWLDEDTFRV-QGZVFWFLSA-N 437.500 1.584 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689846868 OGBHQWXJBNTYRH-LZLYRXPVSA-N 429.550 1.397 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1689861316 SSRBQTFOIIXKQN-CJFMBICVSA-N 449.603 1.579 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CC1(C(N)=O)CCOCC1 1690097720 NGGTVCOBHVFYNU-UHFFFAOYSA-N 425.533 1.876 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ncnn2-c2ccccc2)CC1 1690152583 QDJNWUXQVDHOIM-UHFFFAOYSA-N 448.531 1.409 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1690168158 YPNVYUUSBYESMU-UHFFFAOYSA-N 428.562 1.686 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690170548 MHFKQJXOWVFMTB-SFHVURJKSA-N 438.557 1.757 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(C)(=O)=O 1690200027 IJUCIQJKNFOQHP-HXUWFJFHSA-N 431.518 1.258 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1690207989 UDECNHDOZOUUSF-HXUWFJFHSA-N 429.546 1.196 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1690595248 RSDNWGSRUHKQJH-QFBILLFUSA-N 425.624 1.796 30 10 IDEE CC(=O)NCC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690952226 FWVRGPXLHCOCPH-QZQOTICOSA-N 441.536 1.110 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1692839657 FHVWRABNHHTKHE-ZIAGYGMSSA-N 444.521 1.129 30 10 IDEE COC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1697092402 HTLSMZFWYJSFCP-KRWDZBQOSA-N 426.525 1.606 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)OC 1698254173 LMQBBPCFIXKRET-NEWSRXKRSA-N 441.536 1.630 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@H]1OC 1698292005 KUDHRADIEVSFSK-JQVVWYNYSA-N 443.504 1.384 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)COC)c1 1705508106 PFHJWWMCRBUALA-KRWDZBQOSA-N 438.532 1.739 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1705517463 WHQUOCYDZYPHGZ-ROUUACIJSA-N 439.582 1.420 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)on2)n1 1705632208 YBIZJLOYPRQBBP-GOSISDBHSA-N 439.520 2.000 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCCS(C)(=O)=O)CC1 1705640765 FIBKPTDZPRIXPL-UHFFFAOYSA-N 447.580 1.978 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)CC1 1705642321 PEPVYNQMYXFORJ-UHFFFAOYSA-N 439.589 1.287 30 10 IDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1705736854 DWGOTAGOTWTADQ-IBGZPJMESA-N 442.520 1.845 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705818312 GBTARLWJZPYWOO-CQSZACIVSA-N 430.538 1.902 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1705891863 ZQYJMVSHVDPAJH-GOSISDBHSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)OC)CC1 1705905113 KDJPHFDFPKFXRH-UHFFFAOYSA-N 427.505 1.569 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnccn2)CC1 1705948095 HYKNISLETDDURF-UHFFFAOYSA-N 428.566 1.436 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706587732 OTSPQYIBHPESOV-MXLIYFDZSA-N 441.536 1.735 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@@H]1C 1710285626 BJSNHZJLMDUQPY-KRWDZBQOSA-N 446.577 1.694 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCCCS(C)(=O)=O 1711072394 BKTWRTQEVZMPPY-SFHVURJKSA-N 444.561 1.952 30 10 IDEE CNC(=O)CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1 1711370704 KDWXXALTWCGTAV-HNNXBMFYSA-N 430.509 1.868 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)F 1712007192 DTQJBULUEQUOAD-LJQANCHMSA-N 438.410 1.689 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCOCC(F)F)CCO1 1712884862 UOQCKTDAHQCUFN-MRXNPFEDSA-N 431.447 1.917 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722353046 RNQJOMTZGJXCII-GJZGRUSLSA-N 425.555 1.505 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC(OCC)C1 1722405776 QFHOOAUMJSYSGQ-UHFFFAOYSA-N 432.546 1.738 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)C(C)C)CC1 1722437224 LKYUMBFGLZNJOQ-HXUWFJFHSA-N 438.532 1.318 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2CC)CC1 1722447520 IYOOZTUMULGAKC-WOJBJXKFSA-N 428.581 1.622 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1722454055 IBGOMNMNOLFYMZ-UHFFFAOYSA-N 429.546 1.615 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(N)=O)C1 1722492171 AKUDLLCSROYDAC-GDZNZVCISA-N 428.331 1.612 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCC2=O)C1 1722720674 OCFIZWAQXDQNCR-SFHVURJKSA-N 430.553 1.584 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC[C@@H]1CCOC1 1726406270 NVGADIVPYMHKGW-AEFFLSMTSA-N 426.525 1.407 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1726742546 KOOIGYLLUZVNRU-LPHOPBHVSA-N 443.577 1.429 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1731184686 HJKQYRLCYPHYPW-KRWDZBQOSA-N 431.518 1.390 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740549571 MBABEEWIXDDDIV-DYESRHJHSA-N 436.560 1.692 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740626102 JORKCUODPLJDPZ-SJLPKXTDSA-N 433.534 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ncn(C)n2)CC1 1740690719 LXPRPZZTEHMROE-LJQANCHMSA-N 434.548 1.967 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1740693435 YEQSBLDFSPRCDK-REWPJTCUSA-N 432.613 1.662 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1740749898 HAEYWWFMAWPMTA-HZPDHXFCSA-N 432.525 1.476 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740955679 CHYAFXKXKJCOFC-HNNXBMFYSA-N 426.496 1.881 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1741798533 HWLUYHUYNANBKX-CQSZACIVSA-N 443.537 1.111 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)C1 1741983145 GXIXNMUYSBGMFO-ZTFGCOKTSA-N 425.580 1.178 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)C(C)(C)C 1748784425 MYICQQGQXZKYQZ-SSEXGKCCSA-N 426.546 1.809 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC(F)(F)F)c1 1748791486 TYUAVFJAJALKOJ-CQSZACIVSA-N 443.451 1.634 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@H]2CCOC2)cn1 1748800051 YOSDFLCLVJQELD-INIZCTEOSA-N 439.545 1.740 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1748801763 FYZJFHLWSYBWRR-QGZVFWFLSA-N 431.562 1.432 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)C 1748921052 XDCVAHWCFCUNRP-UHFFFAOYSA-N 431.566 1.470 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCN(C(C)=O)CC2)CC1 1748978640 QIYACXIYOKNBLP-GOSISDBHSA-N 432.569 1.016 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749139192 CIXJPIZOWTUTRQ-JLMWRMLUSA-N 433.553 1.626 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749651191 PHKWHHRWZGTCED-LSDHHAIUSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C[C@H]1CCCO1 1749658197 LRJKETMYEYZUPX-GOSISDBHSA-N 437.508 1.228 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1760187098 TYVRWFTWEREAOP-QGZVFWFLSA-N 431.562 1.945 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)CC1 1760261946 SWXNWRCDLDERTC-HNNXBMFYSA-N 435.500 1.262 30 10 IDEE C#CCSCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760286853 XCQSZWIOOFVHFR-OAQYLSRUSA-N 435.594 1.744 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760287295 NABKHVRXJZWAOG-NTLWEQJWSA-N 436.578 1.753 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(CC)CC1 1760297555 ZLCYDKAOZXZSSB-WMZHIEFXSA-N 427.597 1.419 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760355001 VNYVVZLTRGOFRH-KRWDZBQOSA-N 437.508 1.465 30 10 IDEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1760425164 FXUDJFRAZWRSNM-QGZVFWFLSA-N 437.504 1.901 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760516914 XXZMGKDMIGPNGH-IIBYNOLFSA-N 437.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760525669 MYWTYRHKBLUEOR-NRFANRHFSA-N 446.577 1.710 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC(N)=O)cc1 1760530901 WPXPISYVIFWVNS-MRXNPFEDSA-N 426.521 1.827 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760568540 LSVNHICZULPUDY-JXFKEZNVSA-N 436.582 1.452 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1763244401 DZSPBMZNTXHPMH-UFOSLELVSA-N 425.518 1.808 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1764196896 VPFNHJTUTYYDQE-SFHVURJKSA-N 443.508 1.051 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1764307273 HTRZCSNPLHZXSZ-QFIPXVFZSA-N 438.532 1.996 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c(OC)n1 1770222690 HGPWCFPKXFQQPX-INIZCTEOSA-N 446.533 1.381 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1770326486 YZYPWDIXDQSRJK-MJGOQNOKSA-N 445.545 1.779 30 10 IDEE COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772788103 WTXOYQXHOZZRHK-INIZCTEOSA-N 426.381 1.599 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 1849507926 MCMMBKOXIXAYCQ-INIZCTEOSA-N 426.498 1.644 30 10 IDEE O=C(NCC#CCN1CCOCC1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 1850070190 SHFZVWOMYPVMHT-UHFFFAOYSA-N 431.489 1.692 30 10 IDEE C=C1CCCN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)cnc2OCC)CC1 1852084115 SEDYSDXKVPWIFK-UHFFFAOYSA-N 436.578 1.989 30 10 IDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CN2CCN1CC2)c1ccc(Br)cc1F 1852432477 PXANKVFASJYMTH-HNNXBMFYSA-N 442.358 1.796 30 10 IDEE N#Cc1ccc([C@@H](CC(=O)NC[C@@H]2CN3CCN2CC3)N2Cc3ccccc3C2=O)cc1 1853061204 JPCXUUBIILRZDS-FYYLOGMGSA-N 429.524 1.761 30 10 IDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccccc3S(C)(=O)=O)C(=O)C2)C1 1855007069 NRPFUGGKVQWCAF-IAGOWNOFSA-N 432.546 1.141 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c(O)c1 1862626565 DWASBGYVCRXOAB-LJQANCHMSA-N 440.408 1.541 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3nc[nH]c3c2)c(OC)c1 1870098677 QBOHHJMVZFXJAR-UHFFFAOYSA-N 425.430 1.833 30 10 IDEE Cn1ncc(I)c1CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2023966024 MKAJFZZHQHEZOB-UHFFFAOYSA-N 446.289 1.948 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124538659 LYPLAHSQUQCJPD-HNNXBMFYSA-N 448.329 1.740 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1cc(C#CCCO)cs1 2145937482 JHWBQPHBSKTGCV-UHFFFAOYSA-N 446.550 1.978 30 10 IDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254801544 SUKGNJUEPIJQLZ-UHFFFAOYSA-N 441.309 1.180 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)[nH]n2)OC1(C)C 2255629494 WQPWBWASXYJYKD-QWRGUYRKSA-N 428.220 1.087 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267113320 RVYVZOZQEJLBDC-UONOGXRCSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2267175973 SWFZBUVIKPDGPC-HNNXBMFYSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267591835 IVKUTHAIUPUYEA-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267807340 KAVITIFNSDYCMK-UHFFFAOYSA-N 448.325 1.403 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)=C[C@H]1O 2268718940 WKPHGZACOYUDID-LSDHHAIUSA-N 445.325 1.904 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(CNC(=O)OC(C)(C)C)C1 2315532584 UPMGCTOWIJALPK-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cc(C)ccc1O 2330748385 GWCOOEIJNVHPHK-UHFFFAOYSA-N 442.501 1.812 30 10 IDEE COc1nc(ON2C[C@H](NC(=O)OC(C)(C)C)CC2=O)ccc1B1OC(C)(C)C(C)(C)O1 2339835093 NWTPTCQXJPYVLR-CYBMUJFWSA-N 449.313 1.809 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)c1 21324629 UASLFMCHLBMJGR-FSJBWODESA-N 442.505 1.971 30 10 IDEE Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CCN(c1ccc(C#N)cn1)C2 69878368 ARGBUPVNCPNCBG-UHFFFAOYSA-N 429.484 1.878 30 10 IDEE CC(C)c1ccc2ncc(C#N)c(N3CCN(S(=O)(=O)N4CCN(C)CC4)CC3)c2c1 447686896 SIXWLSWWKDBONY-UHFFFAOYSA-N 442.589 1.844 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447788456 ONCMSXJLEMRQPI-UHFFFAOYSA-N 445.548 1.992 30 10 IDEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508486509 BWNZLZDZJWAYHQ-UHFFFAOYSA-N 433.516 1.550 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 513054051 ZMQIUKWOCJKIRF-UHFFFAOYSA-N 443.569 1.601 30 10 IDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 513472689 JUXRPSOXBRYKBN-HNNXBMFYSA-N 446.773 1.762 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)CC1 524957924 RUWZZOTWLBMOMT-UHFFFAOYSA-N 441.553 1.721 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cc1F 532756048 NHSAVJYHKTWGGA-HNNXBMFYSA-N 442.512 1.966 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CC(C)C)c2=O)c1 540696319 JTRKTBSHUCMZTI-UHFFFAOYSA-N 449.536 1.815 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CCS(C)(=O)=O 573750449 QYYXOQVOWRHIOY-HOCLYGCPSA-N 427.548 1.041 30 10 IDEE N#Cc1cc2c(nc1N1CCN(CCn3nc(-n4cccn4)ccc3=O)CC1)CCCC2 585587059 KLNYPORGKFDQIA-UHFFFAOYSA-N 430.516 1.397 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 603797794 HKLLAAPYPFAQHT-HNNXBMFYSA-N 431.464 1.172 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 619105630 CVEVGLZQGJHTEC-UHFFFAOYSA-N 427.530 1.587 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)cc1 623009072 XETSVQHRNILYGJ-UHFFFAOYSA-N 437.565 1.423 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732650284 MOVUPHDYXBMIJV-FCEWJHQRSA-N 432.546 1.297 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732700988 NSWONDWFXSUNPA-IBGZPJMESA-N 431.562 1.530 30 10 IDEE CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741340549 FXZNXIOLGFBOGV-VXPUYCOJSA-N 448.863 1.197 30 10 IDEE Cc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)s1 751788167 QSJAQKSPCCZHNQ-UHFFFAOYSA-N 448.526 1.322 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 757810928 QVIPLAKNUNHLCP-KSZLIROESA-N 432.587 1.456 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(CCC(=O)N(C)C)CC2)ccc1OC 761688984 UTPKDWJTGZYDJE-GOSISDBHSA-N 431.537 1.682 30 10 IDEE Cn1cc([C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(F)(F)F)cn1 773831268 INDAEGKLZKNOOV-HNNXBMFYSA-N 429.424 1.659 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCC2CS(=O)(=O)C2)cc1 786844115 UQUDFXWZCJRJNV-CAPFRKAQSA-N 428.536 1.056 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 790107385 BWMGDCUMDKVWQS-LJQANCHMSA-N 427.524 1.841 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2=CCCOC2)C1=O 807934876 OGXYFYLBFJEYDA-IBGZPJMESA-N 441.557 1.904 30 10 IDEE CO[C@@H]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 815386569 NSVGRSXWNJYWIN-QZTJIDSGSA-N 449.529 1.140 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)Nc1ncccn1 821881835 CFZSZLBYOVOGOS-HIFRSBDPSA-N 445.501 1.500 30 10 IDEE Cc1c(C(=O)Nc2ccc(Br)c(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 1129357548 AGIQZCLEUPDYKY-UHFFFAOYSA-N 428.246 1.827 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1135509539 VRPHJLABEWPRTG-CVDCTZTESA-N 428.533 1.963 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)cc1 1162950044 VWUAUQWMZBJHLM-IBGZPJMESA-N 427.526 1.929 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 1165507851 ILJGZXLKEIRHHM-UHFFFAOYSA-N 440.518 1.176 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(n2nncc2I)CC1 1196124196 LDKATGYQZUTDNC-WBMJQRKESA-N 444.321 1.963 30 10 IDEE C[C@]1(C2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1248375428 LUYYSTWTRKCGLA-PGRDOPGGSA-N 425.489 1.579 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286357952 DYOCWXCVSCDANI-ROUUACIJSA-N 439.582 1.181 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286389962 UICLJYUAUIONRR-BCOMRZATSA-N 447.586 1.186 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1286428170 BDTMGOXEIULQIF-FQEVSTJZSA-N 432.528 1.577 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CC(=O)N1CCOCC1 1286455509 FJIZTLNBMOAVGJ-UHFFFAOYSA-N 434.475 1.978 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(=O)NC2CCCCC2)CC1 1286494998 XAMXARLPGZHBIP-UHFFFAOYSA-N 428.581 1.891 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286789980 YWNQDNAWKXWBCD-PMACEKPBSA-N 441.532 1.564 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CCOC)[C@@H](CC)C2)nnc1C(C)(C)C 1286825213 NZAOKYCCECKHMP-KRWDZBQOSA-N 427.615 1.723 30 10 IDEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)O1 1289168006 UQGDFBAVCKTSEN-IHPCNDPISA-N 436.530 1.799 30 10 IDEE CCOC(=O)C(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1293881959 ZRFFCPLXOQTMHO-JXORXQGFSA-N 448.520 1.007 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)s1 1294967919 YMSMYLZRNMPOJB-UHFFFAOYSA-N 446.616 1.715 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1298283513 FZMBRCZTRWYMQD-LJQANCHMSA-N 439.545 1.975 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1300484555 UCMZKXMSKSFQNZ-KRWDZBQOSA-N 443.533 1.235 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1300494188 ZMTPYPFCGMDQKS-HNNXBMFYSA-N 439.488 1.557 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300498498 KPDGNZMSDDZUMY-MISYRCLQSA-N 443.573 1.706 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCO2)n1 1300681528 SQMRIWDWWFJHHM-ICSRJNTNSA-N 428.537 1.834 30 10 IDEE CC(C)(NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1cccc(C#N)c1 1300708536 MHQFAPNQVBNTCW-UHFFFAOYSA-N 426.498 1.344 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(CO)c2)CC1 1300719457 BRUGPQDXWMGOQP-UHFFFAOYSA-N 431.500 1.242 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1301192502 YUFLVMBIYODJQR-UHFFFAOYSA-N 441.553 1.825 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1301438423 AAXZAHKIRYNVGG-HSZRJFAPSA-N 440.548 1.909 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](COC)C1 1301496888 JTOSRLNEYAIIOH-LJQANCHMSA-N 437.504 1.285 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301921836 XSUPQDXSEANVLT-HXUWFJFHSA-N 437.548 1.501 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1302106710 YGZXGNRYZGRSBF-AYOQOUSVSA-N 431.493 1.899 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1 1302921880 XOKLZCLKSXVBDC-UHFFFAOYSA-N 447.944 1.998 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1302969844 HWYWJSLYNNASDE-KSZLIROESA-N 436.582 1.410 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCCO 1305118897 OBVMHOKUBKAHMQ-KRWDZBQOSA-N 426.521 1.948 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1305626537 CTZLHXIBQKUCIT-JKSUJKDBSA-N 425.537 1.940 30 10 IDEE COc1ccccc1OCc1nnc(N(C)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1315645458 AGTALTMOEHMRQH-QZQOTICOSA-N 438.488 1.991 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1316126479 YFLQBLTXVCYOHK-VQTJNVASSA-N 426.521 1.125 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCNC(=O)C2CC2)CCO1 1316537526 CLEKMGCCGNTSKU-CQSZACIVSA-N 445.321 1.963 30 10 IDEE COc1ccc(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)cc1C#N 1334261501 ZEIBQHOBASTRAC-UHFFFAOYSA-N 430.305 1.968 30 10 IDEE COC1(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CS(=O)(=O)C1 1354941632 BXJAADUWIKCYJB-CAPFRKAQSA-N 443.547 1.032 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CC2)nc1 1355327940 NOFVERQSTBZXBQ-HNNXBMFYSA-N 431.543 1.203 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2C)CC1 1358920271 WBLXGTJEJSJBEF-IBGZPJMESA-N 444.605 1.932 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358960192 ZCKJUEFIVHNWOY-GOSISDBHSA-N 440.529 1.896 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358977064 BOCGZCDSONPDAY-JOCHJYFZSA-N 446.555 1.941 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1358999398 PVLUDUQCHDBZTI-UHFFFAOYSA-N 425.537 1.620 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCO[C@H]2C)n1 1359027724 UJRZFYGVKFJIQW-HTAPYJJXSA-N 439.520 1.296 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCCC2)n1 1359028370 PTFFLSSGRZFBNI-GOSISDBHSA-N 441.536 1.017 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359028655 ZJYPMLQVXUMGRF-QGZVFWFLSA-N 447.584 1.427 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)C(C)(C)C)CC1 1359040352 QNTDQIULJKTWQL-KRWDZBQOSA-N 432.569 1.443 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1359056326 COYHOYVUJITJLF-IRXDYDNUSA-N 448.618 1.664 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359297974 IQZIZHZYBKLDRE-MRXNPFEDSA-N 438.561 1.982 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1448197845 SCXYSKXPQGCWDX-SJLPKXTDSA-N 436.383 1.742 30 10 IDEE C=CCC[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(=O)OCC 1449727259 PGXVAPTVGKPVBC-QEEYODRMSA-N 444.550 1.282 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1(C)C 1451938041 FIGUXQAFPBIDQD-LSDHHAIUSA-N 436.534 1.533 30 10 IDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)CCC1 1456399608 WEQPTBMHMGYANQ-UZUQRXQVSA-N 425.485 1.608 30 10 IDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)c1 1465196586 AOJATMXPWAEJKU-HNAYVOBHSA-N 426.448 1.797 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)c2ccc(I)cc2)CC1 1467814679 MSZNPFXLZHJZFM-AWEZNQCLSA-N 439.297 1.288 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1469814842 OAZXUQLESNGFKP-KRWDZBQOSA-N 430.482 1.763 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1471420735 HVBLJLUPMPAONF-BZNIZROVSA-N 443.451 1.995 30 10 IDEE CC[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)Oc1ccccc1C(F)(F)F 1478090555 FNEJPRHEIQVIOG-ZDUSSCGKSA-N 439.394 1.996 30 10 IDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1503590524 JPBNSXGQAOEZBI-GOSISDBHSA-N 446.577 1.697 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1504263288 GALYSHUKZOCAIN-KUHUBIRLSA-N 433.538 1.470 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1507631070 LIIKRCCXBWYGTN-HXUWFJFHSA-N 438.557 1.916 30 10 IDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)C1 1507843519 YYGGYXVRADULNF-UHFFFAOYSA-N 447.565 1.109 30 10 IDEE C=C(C)COCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507847459 GXJQXNYLCANLAJ-FXAWDEMLSA-N 442.582 1.535 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C)C1=O 1507999763 QVBBHMRGTWIWAJ-DEOSSOPVSA-N 447.543 1.943 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1508013078 KKWKUXGVASBDAZ-HXUWFJFHSA-N 432.502 1.402 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1508077175 XTUMYSFTKAYMNM-INIZCTEOSA-N 444.511 1.918 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2cc(C)oc2C)n1 1511716751 GWISKMLPVHPMLP-PGRDOPGGSA-N 439.520 1.986 30 10 IDEE CCOCc1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516548742 SLVVJSSYRMIHHJ-WXOYBGPJSA-N 430.509 1.346 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C1 1517511460 BPIVACDOGXMXMW-SBUREZEXSA-N 438.532 1.852 30 10 IDEE COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519174701 JGYBUMGSLQCSEY-UHFFFAOYSA-N 436.520 1.840 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 1523933034 IXZAJWRKIJAUAC-IAGOWNOFSA-N 428.489 1.513 30 10 IDEE C#CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C1CCN(C)CC1 1536121653 CLOIMFLIMKPLNM-UHFFFAOYSA-N 442.379 1.869 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539053388 QVMQHTIFCUWJPB-MAUKXSAKSA-N 448.597 1.742 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1539132997 TXGCJDOBIKKIQP-UHFFFAOYSA-N 427.553 1.532 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539499304 HYGNHABSLHDPJB-FQEVSTJZSA-N 426.502 1.936 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540866815 BFBKQIAELPYGEF-GOSISDBHSA-N 433.516 1.900 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC1COC(C)(C)OC1 1540877171 MTOSVRDDANIOSD-WMZOPIPTSA-N 437.541 1.140 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540901926 VCVBMPVVFMTNDR-MRXNPFEDSA-N 442.549 1.453 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1541283641 GLGFLSIKMGCULH-MOPGFXCFSA-N 435.532 1.836 30 10 IDEE COc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N(C)C 1555049397 JITZUYAFYUWOGD-UHFFFAOYSA-N 447.499 1.967 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1555483654 KCONRJIVMKYNPQ-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](Cn4ccnn4)C3)CC2)cc1 1557447975 GPPHBMTVGCPRLO-QGZVFWFLSA-N 428.518 1.099 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)c1 1559014461 CYFLCRWLZOUXEZ-JOCHJYFZSA-N 439.493 1.863 30 10 IDEE COC(=O)c1ccc2c(n1)CCCN2C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1587323066 VZSMEWFOUGVBSA-QGZVFWFLSA-N 447.451 1.924 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(=O)NC1CC1 1587904789 OMZORIXXUDJXKQ-UHFFFAOYSA-N 428.924 1.990 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1587989859 PKYGWYDRUSUVKM-SFHVURJKSA-N 445.614 1.851 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1589163640 MCWBALSUWFKGAF-YADHBBJMSA-N 431.537 1.170 30 10 IDEE COC(=O)c1ccc(OC)c2c1CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1594163089 AXGFRHWDSDNIPA-UHFFFAOYSA-N 442.493 1.853 30 10 IDEE CNS(=O)(=O)c1cccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1595454870 QOIGSXCMNDKICJ-UHFFFAOYSA-N 435.546 1.861 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1595530111 SZQBDOKHVDOZFV-UHFFFAOYSA-N 437.508 1.009 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCSC2)C1 1595664607 HSILHXKGZLKRAC-UWJYYQICSA-N 434.610 1.733 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCOCC2)C1 1595738767 UWOVJRNOWJMXAQ-SFHVURJKSA-N 426.521 1.327 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(OC)CCOC2)C1 1595744283 LEMZWRFJUGKXHR-HRAATJIYSA-N 447.561 1.856 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1596781947 FPVICAYFGTUQFX-BRWVUGGUSA-N 425.603 1.606 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCSCC1 1596797678 BWJXVCVRRGCRPJ-INIZCTEOSA-N 448.618 1.993 30 10 IDEE Cc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1612040320 CYZPLURCSZFYDD-ZJYNUGOYSA-N 426.477 1.988 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1612916452 BIHDHZZAEJBHSU-JDAKFOBDSA-N 447.499 1.958 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1613429345 GVPQNPVDCNOPHB-HOCLYGCPSA-N 426.477 1.707 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nc(C#N)cs2)cc1Br 1617870861 VBKRKIBZXFYTNI-UHFFFAOYSA-N 429.321 1.958 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1618846910 BQOFMHWHMFWAPO-KRWDZBQOSA-N 448.549 1.141 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)ccc1C#N 1625656022 XYZWDFRXCNIKBG-UHFFFAOYSA-N 441.469 1.295 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1626144307 ZMYWXGJKENHNBA-QGZVFWFLSA-N 427.567 1.710 30 10 IDEE CN(C)C(=O)NC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1628090482 BNGIUAZETYNOQT-UHFFFAOYSA-N 447.561 1.221 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1 1628681550 WVPSRMVQRHWOTQ-QGZVFWFLSA-N 440.587 1.890 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1633445479 BURFEPHGKRJBCA-ROUUACIJSA-N 430.505 1.679 30 10 IDEE C[C@@H]1CC(=NC(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)NO1 1637840329 FSBFPQMRYAETCQ-SNVBAGLBSA-N 443.298 1.988 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCc4sc(S(N)(=O)=O)cc4C3)CC2)o1 1640862934 MZOBPEQGNLMLFT-UHFFFAOYSA-N 435.531 1.365 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)sc2c1CCC2 1655683596 IBKJOWFBXGBYNL-BUXKBTBVSA-N 437.543 1.222 30 10 IDEE CCN(CCC#N)S(=O)(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1656731453 BHPIRXIPCMAJPC-INIZCTEOSA-N 430.571 1.863 30 10 IDEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)C1CCOCC1 1675739094 QTWCYUXVUAPNQR-WOJBJXKFSA-N 431.533 1.805 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2=O)cc1 1681300503 HFCHIBFZOYZDID-AJSBUHFISA-N 426.517 1.610 30 10 IDEE C#Cc1cccc(CNC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1683338879 DPEOMBGAWORMHO-SFHVURJKSA-N 435.546 1.891 30 10 IDEE CN(c1cccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1)S(C)(=O)=O 1687815459 OCMVSXSNRFKIKI-UHFFFAOYSA-N 428.518 1.381 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689864767 HZGUOROTLVMCEU-SJORKVTESA-N 447.561 1.605 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1689930687 XESNSEZNEZUYPH-QZTJIDSGSA-N 448.593 1.176 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1690101017 LBMUENIEEVFAPR-SFHVURJKSA-N 435.488 1.501 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1690148404 FWXKGADVVVGGJI-ROUUACIJSA-N 430.597 1.694 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690328245 HWIROUILXWIFRE-QWHCGFSZSA-N 446.986 1.984 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1690655271 MSQOURHWDROAKL-QFIPXVFZSA-N 442.495 1.053 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690663394 VIOPUTJVJPBHKB-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1690676113 QFWXLDAWMOPHJG-GOSISDBHSA-N 440.548 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cnccn1 1690719203 IDGIRRFYZWPTGG-UHFFFAOYSA-N 428.518 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C#N)C1 1690729517 OTLWNTDJWLELHF-GOSISDBHSA-N 431.518 1.495 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705538442 OXNNANQVPKGKHS-IBGZPJMESA-N 449.563 1.951 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705571460 ZORRCLJVSUGDHW-UZLBHIALSA-N 447.586 1.035 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1705604890 WESUHPDZPLMVHY-MRXNPFEDSA-N 441.561 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(O)c2)CC1 1705651182 MVSGQZWKKUJELD-UHFFFAOYSA-N 447.543 1.859 30 10 IDEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705754565 ATVWWDOHWLNLKJ-UHFFFAOYSA-N 438.960 1.127 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705814509 RDTMUHTXOHIVJA-SJLPKXTDSA-N 448.545 1.675 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)CC1 1705901257 GWVXNAIQVAVOEH-UHFFFAOYSA-N 429.525 1.086 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nncn2C)C1 1705917636 XBPAHVPXCJKLEP-MRXNPFEDSA-N 425.493 1.920 30 10 IDEE CCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1710832390 XHSHRGBNTNGJSA-KRWDZBQOSA-N 433.520 1.677 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1710872891 CMLGMGPSXZBWHA-AEFFLSMTSA-N 442.545 1.214 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1710889915 TUBATOFNHSRWOL-UHFFFAOYSA-N 441.517 1.761 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)C1 1712875263 AZYBAIMKQITUSY-APWZRJJASA-N 425.530 1.829 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722323066 ZRIMQASXAASYKI-LJQANCHMSA-N 437.548 1.178 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1722363612 ASHUBIWZWUKLBQ-UXHICEINSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1722394106 NLTUINCZMAPRAN-XDOYNYLZSA-N 429.484 1.638 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722460850 ZUSHDXPCLVBLEK-RTBURBONSA-N 448.637 1.575 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722463274 WXCYNSRCYAPWSQ-QGZVFWFLSA-N 427.578 1.995 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1722504012 XXHWASZEGYNGJR-XLIONFOSSA-N 430.597 1.957 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1722603669 LAKXHXRDYYKHQR-HZPDHXFCSA-N 429.612 1.909 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1722672482 RRBBSGMEHVXFBN-GOSISDBHSA-N 432.550 1.541 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CC(=O)N(CCOC)C1 1740643871 VFFUAFSXTNVHJI-HXUWFJFHSA-N 444.539 1.849 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1740655399 ATRIOVABVDSPRW-IBGZPJMESA-N 443.529 1.193 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740988831 QMYQTRFMBIZAPY-CQSZACIVSA-N 437.953 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740992703 LVDDHHFNRMZURX-HNNXBMFYSA-N 437.570 1.270 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)Cc1cccc(F)c1 1741134414 ADGHOJTVCUNXJJ-INIZCTEOSA-N 441.511 1.494 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cnn(-c2ccccc2)c1 1741678300 DBNNODAYWIUDOW-IBGZPJMESA-N 434.504 1.573 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1741806959 WLAMTWSPUMZMBG-LSDHHAIUSA-N 428.584 1.247 30 10 IDEE Cn1cnc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@H](C#N)C2)n1 1748038443 FTCKCAFKXNVYTF-GFCCVEGCSA-N 447.272 1.752 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1748638604 SHFYBVGNGZAYLN-DLBZAZTESA-N 433.520 1.786 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1748640307 SLWHFKCEVVIKRR-KSZLIROESA-N 444.605 1.793 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1748848704 OFKMXDNNXPJYIW-UHFFFAOYSA-N 431.949 1.631 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1748962354 FTZPOVASTKHRKA-IBGZPJMESA-N 447.561 1.496 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccc(C)cc2)CC1 1748989166 HBZJTMVPHVDOJY-IBGZPJMESA-N 443.573 1.323 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749232905 XBVXOQJHVJZDSC-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2CCC[C@@H]21 1749735249 QIBPGGVMWDBYQF-XHSDSOJGSA-N 428.580 1.160 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1Cc1ccc(C#N)o1 1749932699 UJMLUCDDIFIRQB-DOTOQJQBSA-N 430.509 1.820 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@@H]1CCCO1 1760171086 UYEZUYRNOSPOGY-KRWDZBQOSA-N 446.577 1.893 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C)nn2C)CC1 1760256893 LGXBHVKEIMYQAC-JOCHJYFZSA-N 427.553 1.164 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760335442 MVZSAUMBCFVCSE-LZLYRXPVSA-N 447.565 1.186 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760518177 LKLCNFDICNXBMD-HNNXBMFYSA-N 445.955 1.989 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1760695926 BUYDNZCVOSRFLG-HNNXBMFYSA-N 429.550 1.837 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760806580 SAUQCLNMSICZBF-IAGOWNOFSA-N 436.582 1.519 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCCOC)CCOC1 1767472123 BVYJHULRQMHSIO-JOCHJYFZSA-N 441.536 1.560 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1767545901 CHGKZIJSNPGNFR-UHFFFAOYSA-N 447.547 1.649 30 10 IDEE CO[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1769647258 LIPXAEMBBZEVNI-IBGZPJMESA-N 435.536 1.943 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1-n1cccn1 1770049661 FMRASISTDBZHCU-IEBWSBKVSA-N 437.504 1.965 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1770205167 YEEPBYGJMFVCPY-SGXKBVARSA-N 439.520 1.674 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)C1 1770726671 IKIWUXGKZCFOFN-FOIQADDNSA-N 445.886 1.582 30 10 IDEE O=C1CN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1770852805 KFKKNZHDBKPTKH-ZPHPHTNESA-N 441.879 1.061 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1771222768 MCAUWRCZKHLRSD-YLJYHZDGSA-N 428.537 1.841 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCn1ccnc1C 1771305062 RKIVRACQGFTHJO-FHWLQOOXSA-N 429.525 1.716 30 10 IDEE C#CC[C@H](F)C(=O)N(c1ccccc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 1850540993 DZROGMUMWLFTRH-SFHVURJKSA-N 440.479 1.571 30 10 IDEE CN(C(=O)CN1CCCn2nc(C(=O)N3CCC(C#N)CC3)cc2C1=O)c1ccccc1 1850625245 KHGGWRPVXGKNJV-UHFFFAOYSA-N 434.500 1.768 30 10 IDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)n1 1852727396 XMWMTVAYGAWWPJ-UHFFFAOYSA-N 431.440 1.379 30 10 IDEE CC(=NOCCN1CCc2ccccc2C1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853511926 QYJVWTHSVWNVIU-UHFFFAOYSA-N 428.514 1.868 30 10 IDEE Cc1ccc(N2C[C@H](C(=N)NOCCC(=O)N3CCN(CCC#N)CC3)CC2=O)cc1 1853596453 CMUIMARQOJYXIS-GOSISDBHSA-N 426.521 1.294 30 10 IDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1c(F)cccc1F 1854607583 OMYPQCOUCGSNFR-UHFFFAOYSA-N 434.424 1.683 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CCCC)C3(CCCC3)C2=O)CC1=O 1856446816 LPLAKLIHNRBMRS-INIZCTEOSA-N 425.551 1.134 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12)[C@H]1CCS(=O)(=O)C1 1858242055 OTOFLFLXFYIBGB-INIZCTEOSA-N 437.481 1.717 30 10 IDEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(O)CC2)cc1=O 1870561665 XEMVWOSBXWGVKS-QFIPXVFZSA-N 425.529 1.826 30 10 IDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCN2CCOCC2)cc1 1889793716 HMZFNVMSQDDGMF-OAQYLSRUSA-N 447.601 1.589 30 10 IDEE COc1c(F)c(F)cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1F 1890682710 QRPFKJLIODEPFX-UHFFFAOYSA-N 439.478 1.985 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO 2214638011 UJAIWMLJTOMFKI-NCOADZHNSA-N 437.537 1.589 30 10 IDEE C[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248404336 JPEKZIOBVMEOKP-WCQYABFASA-N 441.359 1.505 30 10 IDEE C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248405151 PFQYDTXBZCUOFZ-AAEUAGOBSA-N 441.359 1.505 30 10 IDEE CC1(C)OB(c2nscc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255842347 QCDRBIMJMJZOAA-JOCHJYFZSA-N 443.378 1.809 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2258229995 RPZLNCSCGYCCGE-UHFFFAOYSA-N 427.232 1.664 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267171622 NFRNHGQYTCBEQU-HUUCEWRRSA-N 448.329 1.188 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2267176824 FZRWWLJWPUDYKI-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267221550 SKLPAQXHUFKWQG-CQSZACIVSA-N 449.361 1.491 30 10 IDEE CCC1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2267273197 JPYORQBXSWJOLT-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2267498269 TVHIVOKXEHCILG-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267535920 DMKGDSIOOSEZTN-NUEKZKHPSA-N 444.341 1.761 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267605159 SPFUPAXBVFRHJM-WMZOPIPTSA-N 439.369 1.897 30 10 IDEE C[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2271459932 PWGKTYKXEYOEMT-MRXNPFEDSA-N 449.357 1.595 30 10 IDEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 2296923522 PBOKUHSHROIFIQ-FQEVSTJZSA-N 436.468 1.990 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2322294900 RPDMERAJNYSNIQ-AWEZNQCLSA-N 437.321 1.990 30 10 IDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(C(=O)O)cc1 2328468687 HIXJBWMVPXWDMV-UHFFFAOYSA-N 440.441 1.935 30 10 IDEE COc1[nH]c(=NCCC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339788972 YFFWCRCVEGFJFT-UHFFFAOYSA-N 449.357 1.595 30 10 IDEE C#CC1(N(C)C)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2370146341 FAZDCGXOVNYRPF-FQEVSTJZSA-N 435.521 1.370 30 10 IDEE COc1ccc(S(=O)(=O)NN=Cc2cc(OC)c(OC(C)=O)c(OC)c2)c(OC)c1 17102083 FJDVUPHUQMXTDE-UHFFFAOYSA-N 438.458 1.959 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 72444377 AIKLEMOFSXCUEG-LSDHHAIUSA-N 441.875 1.990 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)c(C)n1 102748628 JOCNCCPTYKZILA-VZCCSQPZSA-N 428.514 1.909 30 10 IDEE Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 105452406 CRFBAZYZDMWKFQ-UHFFFAOYSA-N 425.514 1.665 30 10 IDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 106069827 RAKQXRULTVGFBJ-UHFFFAOYSA-N 442.545 1.429 30 10 IDEE C#CCN(CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)[C@H]1CCS(=O)(=O)C1 251368174 WQVNZGYRLOWJBY-PGRDOPGGSA-N 434.558 1.784 30 10 IDEE CN(C)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254371902 HWZDHWODRQMPTN-LSDHHAIUSA-N 425.532 1.609 30 10 IDEE C=CCN1C(=NC(=O)c2cc(OC)c(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@@H]21 254840109 DCMQEJLSFPIAEW-SWLSCSKDSA-N 426.516 1.609 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCOc2ccc(F)cc21 460588429 GEXKCUZJQPVGKE-KRWDZBQOSA-N 434.431 2.555 30 10 IDEE O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 494352479 SNMVJOMEZOUVKU-ZDUSSCGKSA-N 433.280 1.825 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 504448211 HRGPJLIPXWXGTK-UHFFFAOYSA-N 436.516 1.598 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 506341124 VTPLWIWAMKSTCA-HSZRJFAPSA-N 446.523 1.961 30 10 IDEE COc1ccc(CN2CCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)cc1 506956959 YVHSJHGUSXKUGK-UHFFFAOYSA-N 434.544 1.428 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Br)s3)n2C)CC1 507978708 BSFSETYICOHYDS-UHFFFAOYSA-N 425.356 1.730 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 540695499 USMUAGCFKXZNFK-UHFFFAOYSA-N 426.542 1.594 30 10 IDEE CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 543144058 FBRFUNYYTVCCCL-UHFFFAOYSA-N 427.555 1.452 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 543967689 KGNZGKOEIGLVNG-INIZCTEOSA-N 436.451 1.929 30 10 IDEE COc1cc(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c([N+](=O)[O-])cc1OC 544886081 SQBHBTXRFLPUJU-UHFFFAOYSA-N 440.460 1.953 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)n1 544889124 WHSSYDMZEVAGBX-UHFFFAOYSA-N 433.516 1.134 30 10 IDEE Cc1nccc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n1 546816070 OXVIZFMDSGXXHY-SFHVURJKSA-N 433.472 1.211 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc2C1=O 552287518 JAHNIYOOHQAMIK-ZDUSSCGKSA-N 433.408 1.021 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@]4(CNC(=O)C4)C3)n2C[C@@H]2CCOC2)cc1 569990646 CRKLEXWAYMKHTN-MBSDFSHPSA-N 436.516 1.872 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@]4(CCCOC4)C3)CC2)cc1 574997197 HXYLAUNQRBCYQX-NRFANRHFSA-N 433.530 1.367 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC(=O)N(C)C3)nnc12 606409071 VXLZJLBOSDTGSD-CYBMUJFWSA-N 426.502 1.059 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)C1=O 726042530 DGCYLVUJDTZEGQ-HUUCEWRRSA-N 437.452 1.926 30 10 IDEE C#CCN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 729334791 VGJIUDJMIRYVAG-LJQANCHMSA-N 431.535 1.923 30 10 IDEE C#CCN(C(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC)[C@H]1CCS(=O)(=O)C1 730536440 MLGJPXFLEMFFKP-CVEARBPZSA-N 443.612 2.000 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 731212721 JKVRYDVMHHLZFE-JOCHJYFZSA-N 431.602 1.577 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465513 HAMJDRNQTUWZSF-DNZUHHBVSA-N 435.525 1.848 30 10 IDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 732495615 DVIXMYFJZNZMAB-TZIWHRDSSA-N 446.463 1.818 30 10 IDEE COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707266 YPRRNOCDLQXCHD-KRWDZBQOSA-N 425.489 1.068 30 10 IDEE C=C(Cl)CNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 736398712 DHMCCQCTEKCADZ-UHFFFAOYSA-N 435.955 1.167 30 10 IDEE O=C1CN(S(=O)(=O)c2ccc(C(=O)OCC#Cc3ccc(Cl)cc3)cc2)CCN1 749199493 RHLHKSMLJWGOQM-UHFFFAOYSA-N 432.885 1.669 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 754872432 BGAMEYFOQXCIJB-IEBWSBKVSA-N 434.899 1.922 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 756675552 FZWRNOHFUYVQHN-ZDUSSCGKSA-N 433.324 1.137 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C)c1cc[nH]n1 772641547 RWFSMIUBHREOGD-GASCZTMLSA-N 449.508 1.694 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc[nH]n1 772659336 OUGIMZZPRULGTC-UONOGXRCSA-N 437.497 1.455 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 788814072 ULBAEGVUGNRHNG-QGZVFWFLSA-N 438.484 1.316 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 790107815 LWSCXHJDBRSREQ-QGZVFWFLSA-N 432.546 1.545 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccccc3)c2=O)c1 794596435 NGYZRFRNBCASNG-IBGZPJMESA-N 433.533 1.795 30 10 IDEE C[C@@H](OCC(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1nccn1C 805940133 UHIVNFIOVMGNPP-SNVBAGLBSA-N 427.280 1.637 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 809357790 ILNWSQIFBYTZSV-UHFFFAOYSA-N 426.498 1.614 30 10 IDEE CO[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 815386571 NSVGRSXWNJYWIN-ZWKOTPCHSA-N 449.529 1.140 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1 916777968 ZZFAHLRSSMENER-UHFFFAOYSA-N 439.540 1.664 30 10 IDEE C[C@H](Sc1nc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cs1)C(N)=O 1126037191 HHMRZVNQQYIFCW-WMLDXEAASA-N 429.571 1.888 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1130316155 BMJKEYYUSPYRCK-UHFFFAOYSA-N 428.470 1.764 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CSCc3ccc(Br)cc32)C1=O 1130865044 IDDUBBOQYYUPKU-CYBMUJFWSA-N 438.303 1.830 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCOc2ccccc2I)CC1 1137371822 YRVPXXMQDSXQID-UHFFFAOYSA-N 427.242 1.645 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C2CC2)[C@@H](C)C#N)c1 1146385870 RTNMUUKGJBFILR-NSHDSACASA-N 430.324 1.890 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)COc1ccc(C#N)c(Br)c1 1147832387 VPZXTSMMPQWYOX-LJQANCHMSA-N 438.322 1.432 30 10 IDEE N#Cc1ncn(CCNC(=O)NCc2cc(Cl)cc(I)c2)n1 1248553547 VMLYIFCMMUKMBD-UHFFFAOYSA-N 430.637 1.907 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1265833338 BPQIZANCOBRNEO-OAHLLOKOSA-N 436.534 1.830 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1286272351 BMHOADURENOITM-HUUCEWRRSA-N 432.550 1.144 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1286382466 AUZCUQOAHUEZAE-MRXNPFEDSA-N 446.529 1.836 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1286422551 LZUZRWYYNZZSPI-QHCPKHFHSA-N 429.565 1.240 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1286472567 ZCYZRWQUURZEMA-QFIPXVFZSA-N 444.967 1.733 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286709788 DZJOEDPXJNOEJA-IEBWSBKVSA-N 432.569 1.511 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286714726 UXYXWJNGKDRTEZ-INIZCTEOSA-N 431.497 1.263 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286792083 LTOBDESCORUQSI-QGZVFWFLSA-N 439.520 1.024 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286794207 ZMHXGKAGXMMEHL-IAGOWNOFSA-N 431.541 1.014 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCN(C)C2)C1 1286813541 XDRCUACIYNWOQI-KKSFZXQISA-N 446.577 1.118 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286822489 DVDVSKLEHQCYLC-LVQVYYBASA-N 429.612 1.669 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CCO1 1286940215 ALHXWHPVYTVDGO-CEWLAPEOSA-N 438.532 1.709 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(Cc4cn[nH]c4)CC3)C2)C1 1299621543 HAANNNZTVKIWCV-WUZYXKQASA-N 428.537 1.841 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1300271162 HEXJFBPXVRWVNO-ULQDDVLXSA-N 430.578 1.797 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300403356 KKKOITPQMKQCOE-AWEZNQCLSA-N 426.443 1.538 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)CC1 1300685433 NQSCEIUPRSAJEH-CQSZACIVSA-N 432.326 1.070 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1301506753 RJKJUQCVWFBFPJ-IBGZPJMESA-N 447.547 1.461 30 10 IDEE COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1301718179 CUPRATYHAVNDLI-XLIONFOSSA-N 438.598 1.279 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1302055832 WWIFUXIIGHQRLQ-YWZLYKJASA-N 430.513 1.285 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCS(C)(=O)=O)CCOC1 1303493268 GQMWFDZLDZDHDI-HXUWFJFHSA-N 439.582 1.883 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccnc1-n1cccn1 1303802711 BJTAHQWRUSGADP-CABCVRRESA-N 443.537 1.256 30 10 IDEE Cc1cnn(CCn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)c1 1304602133 FWJFZNQKODMVAD-HNNXBMFYSA-N 445.325 1.980 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 1312538757 LVJFGYWFWBTEAD-UHYCVJNDSA-N 434.518 1.242 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314760808 UGXSTIDIENUFDJ-QZQOTICOSA-N 438.536 1.907 30 10 IDEE COC[C@H](Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1315809440 UYJVDIAFNRZPRD-DXIQSLLYSA-N 448.568 1.157 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1316233908 KHMMOYKJKRTLAE-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)C1 1320904236 GBEZBIYTNHNCRR-LBPRGKRZSA-N 426.463 1.625 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCOC2)cc1 1332161437 QHLAVMLODLKOSQ-QUCCMNQESA-N 433.516 1.942 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 1335692572 IZOXHVKJZAFGQE-PNHOKKKMSA-N 430.505 1.926 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCO2)CCN1C1CC1 1335739654 LCOWYMYMUXCZGI-MSOLQXFVSA-N 436.520 1.671 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1358927714 HOSMYWYKLFJPLW-INIZCTEOSA-N 426.546 1.975 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1358959601 MALOBXKQEVTHQJ-XMSQKQJNSA-N 446.573 1.668 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCCC2(C)C)CC1 1359027944 BFSMNBSILYLMCR-HSZRJFAPSA-N 437.548 1.622 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359104941 HSMRKCOZSGEALS-PZJWPPBQSA-N 447.580 1.871 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359122063 VYYQYHBMENOLQO-MRXNPFEDSA-N 436.538 1.388 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1359132838 GQPSGXUEZXYOEH-ROUUACIJSA-N 447.561 1.826 30 10 IDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1359246698 IUJDSRFAZYMVGO-HSZRJFAPSA-N 446.596 1.638 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](CCOC)C1 1359300369 AHEVVNBAKNLCOE-VQIMIIECSA-N 427.505 1.956 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1360169469 GLYRRPVGNQZTPD-HXUWFJFHSA-N 439.564 1.771 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1C(=O)OC 1440081478 SCBHLVMQSDVHLP-ZNMIVQPWSA-N 425.482 1.384 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 1454619352 YFRCODVGLUWAGS-KRWDZBQOSA-N 449.891 1.926 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(OC)c(OC)c3)C2)cc1 1457216562 ZELNJIHWYCMDHH-NRFANRHFSA-N 444.509 1.829 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@@]3(CO)C2)n(-c2cccc(F)c2)c1C 1460846424 FHJHRTFKSPZADF-QHCPKHFHSA-N 441.507 1.422 30 10 IDEE CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)s1 1463981572 NZJKZSXJGKASMC-CYBMUJFWSA-N 430.552 1.860 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc2=O)n1 1466018210 UCIIZTWXGDDQTH-UHFFFAOYSA-N 433.472 1.658 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCc1nnc2n1CCOC2 1467684837 JUTKBGRMQDNDMR-LJQANCHMSA-N 438.488 1.831 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1472259901 CCYAHDRSICEUCQ-SPLOXXLWSA-N 448.545 1.631 30 10 IDEE N#CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)F)CC1 1505320139 DTMFBSCTWUNNEK-UHFFFAOYSA-N 442.434 1.042 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1507660769 ZGESKMMDYRBVJI-GDBMZVCRSA-N 432.550 1.760 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)CC1 1507717000 XPJHXWKEBRSGQX-HKBQPEDESA-N 443.577 1.228 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1507778701 GASCQILSUCCOBJ-XJKSGUPXSA-N 448.387 1.804 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508092676 FEGRJSAZVVMKGN-HNNXBMFYSA-N 446.939 1.870 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCS1 1514136040 AXTWMVKXAVRDRC-FXAWDEMLSA-N 447.586 1.698 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1515793096 NKKKCDRFYYUVEN-HNNXBMFYSA-N 435.492 1.753 30 10 IDEE CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516857273 UNIANDLUEQZBBN-UHFFFAOYSA-N 447.565 1.341 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1521129840 OROCWXCDZWUMTC-BZUAXINKSA-N 444.458 1.164 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1539203432 PPZYXKCEFLZUJY-HZPDHXFCSA-N 447.527 1.912 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539225325 MWGDKBMETUYSTJ-GOSISDBHSA-N 433.578 1.260 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1539430826 OIKCVFPMENMPKY-REWPJTCUSA-N 430.597 1.417 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(N(C)C)CCOCC2)CC1 1539453172 FXYJPGKSRLVKPW-UHFFFAOYSA-N 440.567 1.874 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccnc2)C(C)C)CC1 1539459438 HFKSPZDVSJBJBC-NRFANRHFSA-N 435.576 1.991 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1540092869 SFTBAMRPURZNHV-MRXNPFEDSA-N 442.486 1.932 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1540120642 MKYKCXBNZPKLKL-QGZVFWFLSA-N 447.561 1.470 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(F)(F)F)CC1 1540868600 LDNCDQKJYBDHRU-UHFFFAOYSA-N 426.447 1.055 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1540869818 XPLLEFHLDOMKGH-UHFFFAOYSA-N 438.532 1.358 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1540870959 ARSXKYSTBBOSEW-CHWSQXEVSA-N 435.472 1.261 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1540872984 ILKXNDWMLFJYQV-UHFFFAOYSA-N 437.470 1.641 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1540873049 KXKJOTSJTJURJU-HSZRJFAPSA-N 436.491 1.803 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1541677057 OHKGBCAMEOBDHD-INIZCTEOSA-N 427.509 1.088 30 10 IDEE COc1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)ccc1OCC(F)(F)F 1543034716 FYXJTUICXQSSAI-UHFFFAOYSA-N 426.351 1.477 30 10 IDEE CCc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1546427608 FPJWONBEDFOQHR-VXPUYCOJSA-N 439.476 1.954 30 10 IDEE CCOC1CC(Cn2c([C@H](C)CC)nnc2N2CCO[C@H](C#N)C2)(N2CCOCC2)C1 1548017181 FDDCVJNSSYFYCM-CTDOOQEKSA-N 432.569 1.790 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)c2ccc(O)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367668 DNYFJGMJPXPKDL-INIZCTEOSA-N 433.390 1.755 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1552402355 KSBXELWCRRVRSK-INIZCTEOSA-N 427.531 1.015 30 10 IDEE COCCOCCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555722120 AQEQTWDVGOVGLE-QGZVFWFLSA-N 440.552 1.975 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)cc(F)c2Br)CC1 1562626858 JKWGDUPDEBJAOI-UHFFFAOYSA-N 437.266 1.344 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)cn3)CC2)CC1 1587743180 FYBJWJFFWGNISM-UHFFFAOYSA-N 428.493 1.384 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1 1587861274 JAVQLLULGYLCNZ-IBGZPJMESA-N 447.561 1.540 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588070051 VKEZNJJBBNXYSA-GOSISDBHSA-N 432.546 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@]1(N2CCOCC2)CCSC1 1588211330 YELXUXVOEGIFIP-HSZRJFAPSA-N 438.601 1.954 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1588574941 WZDUTRCPPDEVJO-UHFFFAOYSA-N 434.541 1.369 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(C(N)=O)CCOCC2)CC1 1588791281 QSXAJUBSNNIMEP-UHFFFAOYSA-N 442.951 1.636 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(CC)nn(C)c2CC)CC1 1588811258 DMEWPSYXHCWMMU-GOSISDBHSA-N 425.581 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccco2)CC1 1588913184 BITFKSRBEIVQOY-HSZRJFAPSA-N 434.500 1.807 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2nc(C)no2)CC1 1588930037 LVAZKXQKOYCKGE-GOSISDBHSA-N 441.536 1.462 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1595785336 XGOBYEHZHVPULT-MRXNPFEDSA-N 428.522 1.411 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1616201903 FSTNPFDIKDPONX-FQEVSTJZSA-N 437.566 1.637 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CCOC1 1616261170 HBLVVNCTRQUYGT-JPAWQOSXSA-N 448.568 1.158 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1cc[nH]n1 1618336257 OKFSWNDCLNCFEH-LPHOPBHVSA-N 443.504 1.099 30 10 IDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1618822598 PMPJPDBTGZIYQL-CTNGQTDRSA-N 437.606 1.900 30 10 IDEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1619470514 BPIOBSUWQBJTOV-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1622727660 PZDJPEVUXIUUGU-MRXNPFEDSA-N 439.582 1.137 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)COB3O)cc1 1630687129 ITGVSGKDWZIBEN-HIXSDJFHSA-N 441.318 1.750 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1632066685 AFGFRVPYYQQYGL-DLBZAZTESA-N 448.907 1.727 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 1634408527 IXTACRJWAMNFPK-WMZOPIPTSA-N 435.546 1.707 30 10 IDEE C#CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634817991 LEJXCTYHUBCFTN-UHFFFAOYSA-N 435.546 1.738 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1cnc2c(Cl)cnn2c1 1635562114 PKZSTHRJKDZXDD-CYBMUJFWSA-N 425.884 1.507 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)N1CCN(CCC#N)CC1)OC2=O 1638555651 SGMACIQXROQJTE-KRWDZBQOSA-N 449.552 1.560 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1639557704 UOBCBEWQZWNPFL-XHSDSOJGSA-N 428.576 1.995 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1639992134 PEGZELWPBDGXDS-SFHVURJKSA-N 447.536 1.007 30 10 IDEE CN1C(=O)[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)Cc2ccccc21 1645245433 BDATYOZCXKEXIR-INIZCTEOSA-N 426.498 1.209 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1645680174 ZEXBMNLJTGDILV-VGOFRKELSA-N 425.570 1.968 30 10 IDEE COC(=O)c1cc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 1647803342 GAPQSJJSMZRMFM-ZDUSSCGKSA-N 433.490 1.299 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1647804963 QQXDGINXFPBVKI-HZPDHXFCSA-N 447.540 1.363 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1652521853 XUNHTPZCMFJGSY-BWMZKYQQSA-N 425.551 1.857 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)c1 1653496751 VLJCGRDOBNBNQJ-UHFFFAOYSA-N 447.538 1.432 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c(C)s1 1653749581 SUQZEKBADVPVLT-QGZVFWFLSA-N 427.592 1.743 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)CC1 1654801118 GZZTWHAWHPNZHH-GCJKJVERSA-N 437.585 1.030 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1670882391 NBFFYEUYULECSY-MRXNPFEDSA-N 445.582 1.693 30 10 IDEE N#Cc1nc(NC(=O)NCCS(=O)(=O)N2CCSCC2)ccc1Br 1672168677 DRTFLBVHIAHGTC-UHFFFAOYSA-N 434.341 1.216 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1684870393 YSRROHCXXFTSTJ-UHFFFAOYSA-N 433.361 1.574 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)C1 1685176792 CVXCZVVJXGXMJU-IBGZPJMESA-N 430.549 1.637 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1689930514 SRBCUCNKMIIKQW-XMSQKQJNSA-N 428.558 2.000 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689944053 JVOMTEBWPXHNBT-GOSISDBHSA-N 438.532 1.712 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1689966629 XPAVAEWTIYVRJK-GRNWLOBZSA-N 434.456 1.386 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689986218 LDMZGFPGPGJJLU-GOSISDBHSA-N 431.562 1.727 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689986255 LVQSZMBXOKVLNL-SFHVURJKSA-N 432.594 1.641 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689993093 VKJGQCZCEQNOCH-FQEVSTJZSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1690017333 BVVRYCOCINHYQL-JOCHJYFZSA-N 437.573 1.393 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690470633 HKAYXRMASROTJV-MRXNPFEDSA-N 442.586 1.769 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690678281 QOGYCHNHWVMKEV-VXIBKDFQSA-N 444.580 1.461 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690744301 MCPIONVDSJHDLM-MDZRGWNJSA-N 442.607 1.484 30 10 IDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1692851392 FEEPGIOKVPAWEM-OXJNMPFZSA-N 436.582 1.931 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1693931532 BRGXHDRDCCVVHI-SBUREZEXSA-N 440.548 1.909 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1695505697 MTSRTBVSXMGECR-XUVXKRRUSA-N 438.532 1.926 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCOC1 1696647289 OJNVLCVQLHWZIL-KRWDZBQOSA-N 445.545 1.779 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1696903313 ORCRQYFVUOIMEU-OAHLLOKOSA-N 435.488 1.544 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1698297610 BAXHUJIDRNRFJN-GOSISDBHSA-N 446.602 1.489 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698486825 SIONSXZHMFECEL-IGCQWYOMSA-N 436.451 1.232 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1705598210 DQWAFRIVEBCFJG-QZTJIDSGSA-N 426.546 1.417 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1705629461 JPWNWAPUKIMPJI-UHFFFAOYSA-N 438.576 1.995 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)CC)CC1 1705633968 DJWWYXMQBVYPDI-UHFFFAOYSA-N 434.342 1.269 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NCCC)CC1 1705634075 ITGJOSOSRLDUCK-UHFFFAOYSA-N 432.532 1.617 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CC1 1705640536 VRYOXMBTGNOCHF-UHFFFAOYSA-N 442.951 1.136 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(C)CCCO2)CC1 1705645668 ZSWBSZBLDMTUDW-HTAPYJJXSA-N 433.553 1.537 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC1 1705647984 ONRVHNVYCRDELJ-FQEVSTJZSA-N 434.544 1.746 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1705661433 BGYFGCGCCCDUOJ-QAPCUYQASA-N 426.633 1.880 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1705707190 GOJIDKZNOGHNBC-SELNLUPBSA-N 447.580 1.874 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)NC)C1 1705922189 HXXLJBNYQPYYKK-HNNXBMFYSA-N 430.534 1.757 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705943107 OEMGJSBIHZVWQC-KRWDZBQOSA-N 443.577 1.969 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C1 1705966353 FZHLVMBLYCOOQM-YLJYHZDGSA-N 439.564 1.983 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1706462329 DHIOFYINTIDYKX-LPHOPBHVSA-N 441.623 1.814 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1706605659 ONXLEIPQXHMNSQ-UHFFFAOYSA-N 426.399 1.823 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1710375094 CNECOQHHHJHVRN-SFHVURJKSA-N 435.492 1.823 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1712091395 HOKDGCCRRITBBA-NNFUDEMPSA-N 440.570 1.070 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722315801 SJVALYDOHCYJFP-KRWDZBQOSA-N 438.492 1.663 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1722352731 PKWVESIXYZUZGO-UKRRQHHQSA-N 438.579 1.249 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)O)CC1 1722445751 XEZAJJNBIHKPFB-UHFFFAOYSA-N 439.516 1.453 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccccc1F 1722466491 WSJBWRCRIIVFSN-JOCHJYFZSA-N 426.496 1.978 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722500017 OWHDSTSNVCEWFL-QKNQBKEWSA-N 446.596 1.757 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722508498 SMGOYPNKUOUHJA-YLAKUSLOSA-N 430.553 1.705 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1722574964 UNYUYNDNLYOFEJ-KNBMTAEXSA-N 439.582 1.629 30 10 IDEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722610155 LMBKZEFHRKJQBM-QGZVFWFLSA-N 442.495 1.500 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722693646 VSSQIEXHNZEAHZ-SFHVURJKSA-N 440.548 1.999 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722706837 ZKOSGYMKCXWJNC-GOSISDBHSA-N 438.532 1.669 30 10 IDEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722741292 GSFZWKWPDXIRNX-KRWDZBQOSA-N 444.536 1.074 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2CCS(=O)(=O)CC2)CCOC1 1723662180 BNMPVQXEEQPRON-OXQOHEQNSA-N 439.582 1.882 30 10 IDEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1726434015 GZBKHRRURAEMGT-UHFFFAOYSA-N 441.517 1.552 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCCCCO)cc1 1731184698 HOPAPMPWYSAJPG-QFIPXVFZSA-N 427.505 1.887 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740588152 JYWJOGHQTXRWFP-UHFFFAOYSA-N 438.532 1.734 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621240 UZKBCKGTTHPGDF-SFHVURJKSA-N 443.573 1.749 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1740623661 YSLFEHUIRBXKBY-MPQSDHOMSA-N 436.578 1.492 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740627662 RSOBAPMWYRZHFQ-SFHVURJKSA-N 429.546 1.251 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740630508 IYONPMMXDDZMHK-LQWHRVPQSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCc2nccn2C1 1740641748 MWCZVWSHDFRRQX-QGZVFWFLSA-N 433.541 1.802 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1CC 1740657449 SFWRXMKMFXPOBH-ZCNNSNEGSA-N 447.605 1.900 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCn2nc(C)nc2C1 1740752064 SEDIUFCPTMCPNQ-AYBZRNKSSA-N 431.541 1.903 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740794475 BPBLZAMMOBXOLW-BBWFWOEESA-N 428.555 1.013 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCc2ccccc21 1740951331 FLHXPJJRYMTWNH-RHSMWYFYSA-N 432.550 1.314 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1740955153 WYIAAYVHWJJIQR-UHFFFAOYSA-N 437.548 1.666 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966101 VXVRYLABFACVKT-BBWFWOEESA-N 448.568 1.966 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740992377 GNBTUVAFYBRIBB-NRFANRHFSA-N 447.536 1.468 30 10 IDEE CC(C)N(C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741603218 KCDRCOZDFDSTSS-GOSISDBHSA-N 438.536 1.494 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccccc2)CCOC1 1741730609 CEWGQGPXGKYWGR-WWPVKYPJSA-N 441.532 1.955 30 10 IDEE Cn1cnc(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)n1 1748038808 SZSOCUMCPJPYME-GFCCVEGCSA-N 429.282 1.613 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748825233 WRYNKHMSDDZZQM-QAETUUGQSA-N 442.607 1.380 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1748922534 BWRBGYWFCJRZQZ-HSZRJFAPSA-N 436.516 1.676 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCCO)CC1 1748972414 IHKBWWZFAVDVOF-UHFFFAOYSA-N 444.967 1.779 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)NC(C)C)CC1 1749016630 IBTVURNGRHFCOX-UHFFFAOYSA-N 437.548 1.144 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(=O)NC 1749039641 XWUQGIRKKJAHTE-UHFFFAOYSA-N 442.593 1.391 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1749663551 JKKGJOCXEATBNE-MRXNPFEDSA-N 435.532 1.831 30 10 IDEE CS[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C 1750246197 DQFWOSNEQRIWNH-BFHYXJOUSA-N 430.600 1.395 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760160600 GCUQLLLVJHYLNK-FQEVSTJZSA-N 430.597 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1760269240 BZILMFIXOQWRTA-AVRDEDQJSA-N 446.621 1.185 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N(C)C)CC1 1760270708 WZLZGZBINSPUQO-KRWDZBQOSA-N 426.540 1.924 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(=O)(=O)CC 1760277261 FOQXJWRCIHLSSG-UHFFFAOYSA-N 436.559 1.911 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 1760316240 OSJAGQIQFJTUOO-LRDDRELGSA-N 435.326 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760324468 KQUBGTQKOQLUQV-JZXOWHBKSA-N 427.571 1.314 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(CCOCC2)C1 1760517999 FAGNFSVXWJLJTI-UHFFFAOYSA-N 432.912 1.682 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1760554618 IJQACXDHCOWYJQ-UHFFFAOYSA-N 432.525 1.779 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760568543 LSVNHICZULPUDY-UZLBHIALSA-N 436.582 1.452 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)C1 1761544567 HCLAAKKCMYSYIV-FXAWDEMLSA-N 446.533 1.470 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765254036 LBLIKBZZLJPTEP-MEUCICPISA-N 425.493 1.425 30 10 IDEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1769715036 ZWHXJFRZSCRIMS-CRAIPNDOSA-N 448.549 1.374 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1769735996 NUJAMVUZXRYUER-HXUWFJFHSA-N 440.548 1.924 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1770137119 HOYXMOIAKDXKMC-RTBURBONSA-N 438.532 1.715 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CCN1S(C)(=O)=O 1770657596 FJINAHXSGGOXMP-JTDSTZFVSA-N 444.561 1.712 30 10 IDEE 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C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OC(F)F)cc3)C2)CC1=O 1856808652 IAFDLEHPYZUNTE-JSGCOSHPSA-N 446.428 1.170 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1879734188 ZCZZJVMDADZUQZ-HLFMIMNKSA-N 449.357 1.807 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1984869632 OOGNVXOMSYJOQL-KBPBESRZSA-N 427.498 1.777 30 10 IDEE COCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2124538353 IVLQCBFMWWNZLO-UHFFFAOYSA-N 448.329 1.598 30 10 IDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2244993619 PLJSTSZZCIFRAV-GFCCVEGCSA-N 435.468 1.799 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603716 HWPKPPNSOQVXGZ-KCQAQPDRSA-N 432.330 1.694 30 10 IDEE Cn1cc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830460 GNRPLJXOHCISHM-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256624061 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N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)cc1 109934357 BICHOSNDEDSDDA-SFHVURJKSA-N 449.492 1.870 30 10 IDEE COc1ccc(N2C(=O)C[C@H](N3CCN(c4c(C#N)c(C)nn4C)CC3)C2=O)cc1Cl 472093324 ATEJCLYLBIZWEW-KRWDZBQOSA-N 442.907 1.716 30 10 IDEE Cc1c(C#N)c(NC(=O)CCN2CC[C@H](NS(C)(=O)=O)C2)n(Cc2ccco2)c1C 472251077 XDPYZCZBLNCUAL-INIZCTEOSA-N 433.534 1.570 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)o1 480956735 OITQMPDLKDBBHT-UHFFFAOYSA-N 435.505 1.729 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 481006309 XUGGKGRYWRXCSL-ZFWWWQNUSA-N 428.536 1.308 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 481491815 LRXADZDDCSWMTP-INIZCTEOSA-N 446.573 1.913 30 10 IDEE C=CCc1ccc(OC[C@@H](O)CN2CCN(c3ccnc(N(C)C)n3)CC2)c(OC)c1 532731532 RUFXRIJWFWHEKH-IBGZPJMESA-N 427.549 1.842 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 542421836 IQGVSUFHRQPZDJ-MRXNPFEDSA-N 426.477 1.630 30 10 IDEE CC(=O)c1ccc(C#N)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 544394199 JIQHMECGLFUWOQ-UHFFFAOYSA-N 440.481 1.603 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 571842769 MJOWFNLNZZVVRG-SFHVURJKSA-N 425.493 1.782 30 10 IDEE CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586860241 AFIVFAAXDLMEKA-UHFFFAOYSA-N 432.496 1.483 30 10 IDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 586863473 NXWPPDHKEGSDIB-UHFFFAOYSA-N 446.504 1.564 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccccc1C 603800065 RIZXIHTZVZOOEQ-UHFFFAOYSA-N 433.533 1.782 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CCOc2ccc(C#N)cc2OC)CC1 610133080 KGPLYWBXIAZETL-UHFFFAOYSA-N 430.530 1.676 30 10 IDEE N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CCN1C1CC1 732651615 DSMUEMQCOSNSJB-MRXNPFEDSA-N 437.953 1.334 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C#N)nc1 734602557 PXVZQQWVPYFANW-LBPRGKRZSA-N 432.458 1.396 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)Nc1ccc(CC#N)cc1 755185320 FYICAKPBCMHWEZ-QGZVFWFLSA-N 444.488 1.750 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C[C@H]1CCCO1 758561878 RWGFONRNHVQREC-CQSZACIVSA-N 444.582 1.474 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@H]2CCN(C(=O)NCC)C2)c1 760324373 XOFUSXZHJXAZLT-IRXDYDNUSA-N 427.530 1.539 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)CC2)c1C#N 788114427 PHYURAGIXSDNBT-RMKNXTFCSA-N 428.518 1.334 30 10 IDEE COc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(Cl)cc1C(=O)N(C)C 792985463 LQZFLQPEGOCLAB-CQSZACIVSA-N 433.896 1.188 30 10 IDEE CCOC(=O)C1=C(COC(=O)c2ccnc(C#N)c2)NC(=O)N[C@@H]1c1ccc(OC)cc1 795974926 BOCAGMRREGMODW-LJQANCHMSA-N 436.424 1.990 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 805782039 GSRCOMFCSLEKPS-IBGZPJMESA-N 426.542 1.800 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 809895009 NFYLFTAPGQANJQ-QGZVFWFLSA-N 448.549 1.409 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 809909557 FIDKEUNCFCIDJT-OAHLLOKOSA-N 436.513 1.661 30 10 IDEE C#CCN(C(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 813809327 RYLTYYKHHAGXQT-CVEARBPZSA-N 425.551 1.608 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1cnc2c(cnn2C)c1=O 928713411 PCUJABKIXSJIHA-AWEZNQCLSA-N 438.444 1.017 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)s1 1136872489 RHVSERUNTTZRSV-CQSZACIVSA-N 447.538 1.599 30 10 IDEE C=CCC1(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)CCCC1 1228269588 DIIKFOSOPAOVRJ-HDICACEKSA-N 428.599 1.804 30 10 IDEE Cn1cc(CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 1233990077 CKQVEEZMCGFMQX-QZTJIDSGSA-N 430.534 1.618 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 1256626160 JORLAMGRMOISOU-MSOLQXFVSA-N 447.605 1.985 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286388119 YLRUSRZIUIEZPZ-MRXNPFEDSA-N 445.520 1.237 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1286432066 WTERHDZDCUUTNN-GOSISDBHSA-N 433.578 1.654 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCC[C@@H]2C)n1 1286471214 KEAHCOBYZDFPSL-YCRNBWNJSA-N 442.564 1.816 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286506038 FCGUVKYRLPVSME-SFHVURJKSA-N 432.594 1.876 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1286606026 DTMVLXLTZCADAS-UHFFFAOYSA-N 427.553 1.499 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286637451 FEVSODROJXEUTJ-OAHLLOKOSA-N 445.611 1.402 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](OCC3CC3)C2)n1Cc1ccc(C#N)o1 1288843981 LJVVTAHLXCIUKK-RHSMWYFYSA-N 448.549 1.797 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1292033473 OWCMWPARUNAOPM-QFIPXVFZSA-N 427.553 1.947 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)cc1OC 1294939871 FXBCZRLJRPJMAT-QZTJIDSGSA-N 443.504 1.887 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1295173560 DINADQGQVBFSJI-INIZCTEOSA-N 426.506 1.007 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1298534895 AIRTVJMYABHYST-YGCDDZCOSA-N 439.520 1.815 30 10 IDEE COc1ccc(OC)c(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1300259854 CBRBMNYQMMAGQU-KRWDZBQOSA-N 426.477 1.195 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300490637 AFHNDMJQZGBBOP-IAGOWNOFSA-N 440.591 1.140 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1300972477 LMBRLBRMCHWIRY-UHFFFAOYSA-N 428.541 1.615 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1301017163 HBEQKHLQVNESOE-ZIAGYGMSSA-N 432.978 1.526 30 10 IDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCCOC)CC1 1301458183 HXQPLGIOJWHMAN-UHFFFAOYSA-N 434.491 1.218 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1301482923 FQSMAGIMGXBBHG-UHFFFAOYSA-N 426.521 1.561 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1301680900 FQEIDYKIPNZYKG-GOSISDBHSA-N 442.545 1.310 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 1302740640 LHKAQEWJBQYKMJ-ATZDWAIDSA-N 441.509 1.863 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(Br)csc2c1 1309080044 UTTQPPWPMYZZIO-JTQLQIEISA-N 449.373 1.870 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1314110827 AVZKIFGQSHSODX-NHCUHLMSSA-N 434.516 1.775 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1314814273 CMBQIGODCWQMQK-QGZVFWFLSA-N 445.545 1.229 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CSCCS2)CCO1 1316535047 CIUJPAOFOABNOJ-UONOGXRCSA-N 431.547 1.503 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCO2)CCN1C1CC1 1335739695 LCOWYMYMUXCZGI-ROUUACIJSA-N 436.520 1.671 30 10 IDEE O=C(N[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1)c1ccccc1 1354263941 PUDLOVVXMKGJNX-MRXNPFEDSA-N 426.498 1.146 30 10 IDEE 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C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 1359345452 GTKSRTZETBNAKO-UHFFFAOYSA-N 448.637 1.868 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(c4ncccn4)CC3)C2)C1 1463610172 YJPLVZPNRGYAGR-JQHMZKTJSA-N 426.521 1.912 30 10 IDEE C=C[C@](C)(O)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1463942730 HAKHQWGMMCTABE-HFZJLKNISA-N 436.486 1.802 30 10 IDEE CN(CCNS(C)(=O)=O)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1465020862 CTLDIUXQNHDTGK-QGZVFWFLSA-N 436.534 1.400 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1466822985 WNQSAVKLWIAULH-INIZCTEOSA-N 446.554 1.722 30 10 IDEE Cc1ccc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1469412637 YKSJSURGPNBRPB-NRFANRHFSA-N 435.351 1.324 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CCOC1 1470266412 GSDUPKVAIPQUOJ-IERDGZPVSA-N 438.525 1.050 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4ccnc(C#N)n4)CC[C@@H]32)CC1 1472805229 BQUIVSRTPKMAMZ-HOTGVXAUSA-N 427.509 1.720 30 10 IDEE COCC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504760990 OZQAFNMNUKRNRC-HSZRJFAPSA-N 449.515 1.586 30 10 IDEE COCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1504919142 YNWFWHKZJXSQBE-XOMICKMZSA-N 443.552 1.229 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1507515744 IIYXYOMSAMLHKE-CVEARBPZSA-N 440.614 1.236 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507580694 JYQAMFMBVUUIAP-SFHVURJKSA-N 427.505 1.717 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 1507633876 KHBZELHBODLAPL-SFHVURJKSA-N 449.621 1.358 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507637072 GUQHQNVUYRKZBN-UHFFFAOYSA-N 448.571 1.746 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1507653641 PFQQBWWDTDSJBM-MRXNPFEDSA-N 432.933 1.963 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CSCCS1 1507704083 ONNODVXDMHTGNU-QFBILLFUSA-N 426.608 1.865 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)c(OC)c1 1507711657 XVSULWAATRSIIY-IBGZPJMESA-N 446.573 1.826 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(SCC)c2)CC1 1507723360 FUCUKQVIMCYDDM-KRWDZBQOSA-N 425.562 1.540 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507731752 CEKWJVVUNXWIQY-RBBKRZOGSA-N 439.560 1.972 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1508020772 QIGIRJNDZRLZNE-UHFFFAOYSA-N 437.591 1.752 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(F)(F)F)CC1 1508142510 DLJQVEXAPLXVLQ-UHFFFAOYSA-N 449.499 1.780 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1508421046 SZHNXTWTVDNAKQ-CYBMUJFWSA-N 425.449 1.625 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1509821013 YEUNCBLQIQMWOZ-AVRDEDQJSA-N 446.552 1.450 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2cc(C)oc2C)n1 1511716753 GWISKMLPVHPMLP-XMSQKQJNSA-N 439.520 1.986 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1516850766 LCESDWYKYMYLRD-CEXWTWQISA-N 444.561 1.617 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1516856966 CPJQDFBALCXHRS-YACGTDEYSA-N 442.589 1.742 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1518765349 NLHYITACQNJGRZ-BHIYHBOVSA-N 442.495 1.961 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1521136039 AKPNCUCECSFBSP-UXHICEINSA-N 425.537 1.230 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)c1 1528411654 GTYBQPWMMMJOGN-CLFYSBASSA-N 445.475 1.904 30 10 IDEE CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)c(C#N)cn1CC 1529321786 GOSYDVBJLQREBU-UHFFFAOYSA-N 434.474 1.991 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(C[C@H]3CCCO3)c3ccnnc3)C2=O)cc1 1530976038 QDLMGSXBWCIXAG-MOPGFXCFSA-N 434.456 1.765 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cc1 1535243170 QVNOJCAVOXPJTI-NRFANRHFSA-N 442.479 1.984 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1539072529 SGXYJRXWIHNUAK-IAGOWNOFSA-N 441.623 1.746 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539079334 SBWPRBQNOOYQQV-HZPDHXFCSA-N 445.545 1.433 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539219038 GMCCRNQUBRQLBG-QGZVFWFLSA-N 447.536 1.113 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539219813 FPIUZUDRMNBOES-JKSUJKDBSA-N 435.575 1.960 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1539230422 HMLKABVJQQAINM-QGZVFWFLSA-N 428.537 1.890 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1539751138 HHNADGBNAVVFBX-KZNAEPCWSA-N 425.599 1.692 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)n[nH]2)c1C 1540686936 RTMHHROVXYGWML-UHFFFAOYSA-N 426.521 1.787 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1540904158 JPKBJJGHFDJSEO-GOSISDBHSA-N 432.546 1.777 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1543823151 ZTOQVOMIJRKENP-UHFFFAOYSA-N 434.424 1.409 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)NCCCOC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367621 AEPJXZOWTUAULO-MRXNPFEDSA-N 427.427 1.560 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1554301195 HGXRABHVDFZFIG-NRFANRHFSA-N 428.562 1.453 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555802610 MLTSCXBCKVNRDY-LJQANCHMSA-N 443.577 1.732 30 10 IDEE Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1S(=O)(=O)NCC#N 1570722830 FJHUWDKIKSUENO-HXUWFJFHSA-N 436.497 1.703 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1)c1cc[nH]n1 1585043344 MJWAYEDJZGXSMB-SFHVURJKSA-N 442.394 1.736 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C#N)cs3)CC2)cc1 1585654135 RFOUGZJYFWUCMS-UHFFFAOYSA-N 434.543 1.510 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2nncn2CC)c1 1587693177 QHGIGFYWYBZILZ-KRWDZBQOSA-N 434.504 1.498 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1587765343 FGNUTJSICAWEAM-FXAWDEMLSA-N 439.582 1.420 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1 1588280632 NRKIESZLPUPYLP-UHFFFAOYSA-N 427.534 1.437 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1588975221 FOTJQTJDGKYACP-HNNXBMFYSA-N 448.574 1.305 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)C(=O)C1 1589036617 LUIUILOWFUOELU-UHFFFAOYSA-N 443.529 1.335 30 10 IDEE C#CCSCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1589126019 VHBHIQMBZQAHPD-UGKGYDQZSA-N 449.621 1.598 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1595785335 XGOBYEHZHVPULT-INIZCTEOSA-N 428.522 1.411 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1595844881 IZWGFJMLJODKSI-KGLIPLIRSA-N 440.599 1.278 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595884776 SSWIRKHWIDWFTM-SJORKVTESA-N 441.623 1.404 30 10 IDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1614711185 BPTSEDMNUXKIKX-IBGZPJMESA-N 425.537 1.500 30 10 IDEE C#CCNC(=O)C[C@@H]1c2nc(NC(=O)COC)sc2C[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]12C 1616130662 QMGCLEBLJSVKJV-BEADPVLRSA-N 449.573 1.283 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1620025635 RBLOEDYFMZNRGM-BMQTXXJKSA-N 435.525 1.459 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)cc1 1622886593 LSEYIXSWOUSPQO-MRXNPFEDSA-N 429.564 1.924 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)c1 1626150702 ZEOBVTMDBWDNFZ-UHFFFAOYSA-N 438.488 1.762 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)C1 1626712789 AGWGGTOBQFYEAC-SUYXUUSGSA-N 432.565 1.954 30 10 IDEE COC(=O)CCN(CC#N)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1644204881 HGHIARFFUOYLDD-GFCCVEGCSA-N 430.914 1.306 30 10 IDEE C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648500621 SMIAHAWSTHSTOD-LQBOVUBWSA-N 430.574 1.026 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)O2)[C@H]1C 1652141200 WEVXRJJGCNCDCN-GXYOHSSGSA-N 435.546 1.594 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 1678132788 ZSXBXCOJQVQSLB-VQTJNVASSA-N 434.562 1.258 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2c(OC)ccc3ccccc23)CC1 1685110177 YWICULVMGQXHRX-UHFFFAOYSA-N 430.530 1.186 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1689856158 KQXDASROWUIGDZ-SFHVURJKSA-N 434.548 1.139 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1689867460 SNJMUCBKKCFDKW-HYJFEMIMSA-N 443.523 1.943 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689916684 RNKBXJCMSBZPPH-MRXNPFEDSA-N 436.559 1.385 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1689990910 TVVOPUJVQJVULK-QZTJIDSGSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CCCCC1 1689998126 CBILXDQDLVBARC-UHFFFAOYSA-N 438.576 1.622 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1690072328 CYKKPSYUYJCUAE-SFHVURJKSA-N 447.543 1.910 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)nc1 1690106141 LJYQUPRZOYWVCQ-UHFFFAOYSA-N 448.531 1.424 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1690155120 GFYYPIYGKLDAIR-MRXNPFEDSA-N 441.623 1.794 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690218410 FRRMFDHTORUNHV-SFHVURJKSA-N 446.309 1.550 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1692526799 ZKBPYVBEEZXFSI-FOIQADDNSA-N 430.488 1.259 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(C)(=O)=O)CCOC1 1692579036 FUENKUJHOZMKFF-RTBURBONSA-N 425.555 1.493 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)CN(C)C2=O)c2ccccc2c1=O 1695902628 QCBPIQUEKJXIAR-CMJOXMDJSA-N 448.531 1.892 30 10 IDEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1696816951 XCXZHHLZVKIFHN-AEFFLSMTSA-N 436.582 1.173 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1705551430 NKEYJMAGHSXJAH-MJGOQNOKSA-N 447.561 1.456 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN(CC)S(C)(=O)=O 1705553996 GROAYQFZQDQVII-UHFFFAOYSA-N 429.550 1.258 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705568435 NNPUYHMJMHIMKH-KSZLIROESA-N 433.578 1.463 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705570685 SLLVAJQOWHWMHE-UTKZUKDTSA-N 433.578 1.116 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705598378 IBNYXOFMRCBINN-UFYCRDLUSA-N 439.539 1.591 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCSC1 1705622448 IPASKBLMYRAQPJ-KRWDZBQOSA-N 440.367 1.990 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCc3nccn3C2)CC1 1705631901 DFKDUQPGJCFQOD-SFHVURJKSA-N 438.580 1.411 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705659998 KWXWNLPXUAKAKJ-GOSISDBHSA-N 434.610 1.533 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1705786401 NDOJIKAQXMCRLE-HOTGVXAUSA-N 440.614 1.986 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2occc2C)C1 1705922769 RXRLNNQHVCJHRA-IRXDYDNUSA-N 442.520 1.732 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccccc2C1 1705927742 FIUYXBGMYYTNPQ-UHFFFAOYSA-N 429.546 1.678 30 10 IDEE COC(C)(C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1711492520 NFPIIYFXSWVORD-AVRDEDQJSA-N 432.569 1.920 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722330143 PXPZWXIFOZUPHG-UHFFFAOYSA-N 445.545 1.947 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1722342262 NCPFALTVYYUYCC-INIZCTEOSA-N 449.964 1.756 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722368334 PYYOSWBMHHFPDQ-IBGZPJMESA-N 427.530 1.789 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722384849 YMRUDIYAADEDBQ-HZPDHXFCSA-N 435.550 1.166 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnn(C)c2)CC1 1722444344 XPIIQQKKYOEZIE-UHFFFAOYSA-N 448.487 1.601 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCn2nc(C)cc2C)CC1 1722447958 RMEVNEMONKJIDD-HXUWFJFHSA-N 439.564 1.651 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1722474179 MKILZFQAWUOXKK-YCRPNKLZSA-N 445.520 1.950 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1722726500 BYZQULDOJHNOJO-UHFFFAOYSA-N 446.533 1.737 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722729295 IKBFWYVRXAJYNR-MSOLQXFVSA-N 446.529 1.892 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722729298 IKBFWYVRXAJYNR-ZWKOTPCHSA-N 446.529 1.892 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NC)C1 1722740743 SHILHBVCAYWFDZ-CQSZACIVSA-N 432.550 1.887 30 10 IDEE CCC(O)(CC)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1727291622 GQWNZHHZOODOSW-GOSISDBHSA-N 425.537 1.926 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1730887792 LZBWMANYALBRBG-VGOFRKELSA-N 439.520 1.828 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1731011401 DHHSNSFZATUVBN-ZWKOTPCHSA-N 436.582 1.726 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1740546778 KZJSQGHOCXXYRX-CQSZACIVSA-N 442.483 1.192 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740626689 YNIYMBMHIDVWLA-IBGZPJMESA-N 441.557 1.886 30 10 IDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740627609 RICJGKXCYALGPZ-QFBILLFUSA-N 446.529 1.454 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740628417 QDWNFNWNQKEWII-IBGZPJMESA-N 437.610 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1740694663 QCGACPXWBJWMIG-DLBZAZTESA-N 445.568 1.145 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740962199 VQXFKVBBLFERPL-GOSISDBHSA-N 442.539 1.469 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740970450 LPXHWMNPHJBPDX-HOTGVXAUSA-N 446.533 1.141 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1C(C)(C)C 1740993524 DNFHDVZSXCICJD-OXJNMPFZSA-N 426.583 1.951 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1740993803 JHGJIGBPJHQXQB-PMACEKPBSA-N 437.566 1.661 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)CCO1 1741104222 GJUMKDFLUJRJQC-OAQYLSRUSA-N 438.532 1.975 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](N1CCOCC1)C(F)(F)F 1741123389 ARFGMEWFOYAIKW-ZIAGYGMSSA-N 431.463 1.275 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741268923 BCUSOYWGBMSXQD-ZCXUNETKSA-N 443.552 1.407 30 10 IDEE CC[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1743654469 DJUJMONYUVZNLG-CXAGYDPISA-N 425.490 1.341 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1746577758 CMEZONGWWBUALC-QGZVFWFLSA-N 435.492 1.708 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NCC#C)CC1 1748738653 LKULFSRQNTWEFG-UHFFFAOYSA-N 443.515 1.300 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749032562 LOVSGSJCASQCAB-UHFFFAOYSA-N 437.577 1.547 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1749038066 NWMRSEKHKUCBAS-KRWDZBQOSA-N 441.623 1.748 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1749199755 BZNMECKSYGPXJN-AJDGDAIWSA-N 437.504 1.728 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1749412283 LKLLZEKIJKNRRT-AWEZNQCLSA-N 438.520 1.929 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1749604528 TYWXHMUIKWWPET-FCHUYYIVSA-N 427.505 1.600 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1749663980 UVWJZZAZYFQHLS-UHFFFAOYSA-N 446.515 1.566 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749671679 GQLZPCBLXUZXCX-KRWDZBQOSA-N 441.511 1.351 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1749678129 WWIDOXWIRNSCBV-UHFFFAOYSA-N 441.458 1.336 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)COC)CC2)cc1 1749683861 IJLOSRQUAJQILI-UHFFFAOYSA-N 449.515 1.643 30 10 IDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1750036276 ONWRRCXLKRWWIY-UHFFFAOYSA-N 448.531 1.848 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1750998113 HNHDBQUOVNDTCV-UHFFFAOYSA-N 449.559 1.810 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)n1 1751831982 BFXKOJUHVBUVRG-OAHLLOKOSA-N 429.506 1.276 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1760204630 XIMPGDUGVDCHBZ-HSZRJFAPSA-N 436.585 1.545 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCOCC)CC1 1760255990 JTGMKWXKESPFCG-UHFFFAOYSA-N 435.536 1.493 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1760295405 SGFACPHQOBDBPB-LAUBAEHRSA-N 429.546 1.753 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1760300293 DECXCXHVOPYIFG-SWLSCSKDSA-N 436.376 1.802 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760356975 AWPCAXADIIJOBP-LJQANCHMSA-N 434.585 1.411 30 10 IDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760471336 SQAYVSHVCJLSAF-HXUWFJFHSA-N 440.566 1.025 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CCS(=O)(=O)CC 1760520498 PMUAPPVIMUKGMP-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760531594 UFJFYWFTYPFZAU-KRWDZBQOSA-N 438.532 1.794 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1760544059 VEWAEYYAIANKMB-ROUUACIJSA-N 446.577 1.859 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc([C@H](C)O)cc2)CCOC1 1767481115 AQKIXGBMQFDEMU-XWFZLUIHSA-N 427.505 1.761 30 10 IDEE COCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1769588655 BIZWRBKAQIHZNL-IRXDYDNUSA-N 437.566 1.506 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCC(=O)N2CCCCC2)cc1 1771533250 FDKVGUONQJSQMC-UHFFFAOYSA-N 426.546 1.788 30 10 IDEE C=CCN(C(=O)CCn1nc(-c2cc(OC)ccc2OC)ccc1=O)[C@@H]1CCN(C)C1=O 1850862056 HFBRMIGGFXMJNF-LJQANCHMSA-N 440.500 1.563 30 10 IDEE N#Cc1ccc(OC[C@@H](CS(=O)(=O)c2ccccc2)OC(=O)CN2CCOCC2)cc1 1852234352 XMQOIZXTKNPYRW-FQEVSTJZSA-N 444.509 1.655 30 10 IDEE Cn1nncc1CN(C(=O)c1ccccc1OCC#N)[C@@H]1CCc2nn(C)c(=O)cc2C1 1853466061 ASESPBRVMUZZNN-MRXNPFEDSA-N 433.472 1.011 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)CCC(F)(F)F)C3=O)CC2)CC1 1853729807 FFJBBBYGIHHQQF-INIZCTEOSA-N 428.455 1.931 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)C(=O)C2)C1 1853742665 YROALJWMNPYKRF-QFBILLFUSA-N 430.936 1.624 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCOC3)C2)CC1 1855452691 QACVJTIVEZKPGP-ZWKOTPCHSA-N 431.514 1.371 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(OCC)c(C)c3)C2)CC1=O 1856803430 LLSXMWIHLKXVKY-HZPDHXFCSA-N 438.502 1.276 30 10 IDEE CC(C)(C)c1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cn1 1857064477 YRDATANDABEYDA-KRWDZBQOSA-N 432.546 1.933 30 10 IDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC(Oc4ccccc4)C3)ccc21 1857461295 PNOVDSMCWZNOBY-UHFFFAOYSA-N 425.466 1.858 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 1862610238 GIGJYDJJGXGCSR-FQEVSTJZSA-N 439.420 1.800 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870009248 KTMJYSYXUSWXKN-UHFFFAOYSA-N 425.405 1.136 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(F)cc1Br 1891461656 ILQBQQZOBPPISM-UHFFFAOYSA-N 426.271 1.759 30 10 IDEE C#CCN(CC(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985010766 GHDFYQJBHRNOEY-OAQYLSRUSA-N 425.526 1.735 30 10 IDEE CC(C)(C)OC(=O)N=c1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[nH][nH]1 2060639751 LJITUVSFKAIRHN-UHFFFAOYSA-N 430.274 1.520 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2214625223 ANIPHNIULCZAFJ-AGIUHOORSA-N 425.345 1.384 30 10 IDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243666762 BMDDRYNVJQAVSM-NSHDSACASA-N 427.332 1.921 30 10 IDEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401720 NBJLANLRWYSTDW-LBPRGKRZSA-N 438.359 1.987 30 10 IDEE C[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255639547 GDPATLBRVCSJIU-JQWIXIFHSA-N 447.288 1.971 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2255832991 VNFCQOVJSCDTOJ-HUUCEWRRSA-N 434.346 1.988 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256660752 IKYDGXZJFJSYFK-KBPBESRZSA-N 433.314 1.859 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2259346391 SUBRVHSOHYAGHF-DZGCQCFKSA-N 434.346 1.752 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)n1 2267118696 MJDRCEHJQXBFIV-KRWDZBQOSA-N 439.369 1.755 30 10 IDEE Cn1ncc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267507212 KFIBVEXHYAVAOH-HSZRJFAPSA-N 440.353 1.086 30 10 IDEE CC[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267550069 UPMGFDASYNKGKH-SFHVURJKSA-N 439.369 1.851 30 10 IDEE Cc1nc(NC(=O)[C@H]2OCC[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268653250 LEUHCFQPILGFII-GJZGRUSLSA-N 448.329 1.705 30 10 IDEE Cn1nc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2269072336 XVEANDIJNBTJPK-UHFFFAOYSA-N 442.325 1.036 30 10 IDEE CC#CCN(CC(=O)NCCn1cnc(I)c1)C(=O)OC(C)(C)C 2300600512 KMHHBQIYGMKTHP-UHFFFAOYSA-N 446.289 1.864 30 10 IDEE CS(=O)(=O)C1(C#C[C@H](N)[C@H](O)c2ncc(I)s2)CCC1 2367823373 PKYPPEFOFFHGRK-WPRPVWTQSA-N 426.301 1.079 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 410242937 VLQOULNXGUYWGQ-QGZVFWFLSA-N 442.541 1.374 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1 462573312 LBDDNYMDZKFLJZ-UHFFFAOYSA-N 447.492 1.179 30 10 IDEE COc1cc(CC2CN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)cc(OC)c1 482842587 JILQXGLDSIWUEN-OAHLLOKOSA-N 443.525 1.943 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508506641 GACYSGURCYYMQE-HNNXBMFYSA-N 435.550 1.914 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1C[C@H]1CCCO1 516830275 QPHQWPRCAKWEJP-CQSZACIVSA-N 432.571 1.137 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cc2)nc1 518388227 WCFDEFYXLUEBRQ-UHFFFAOYSA-N 447.451 1.179 30 10 IDEE CS(=O)(=O)c1ccc(OCCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545463585 XSTMHPVHBLKBPI-UHFFFAOYSA-N 428.514 1.865 30 10 IDEE COc1ccc(CN2CC[C@H](NC(=O)c3cc(C#N)c(SC)nc3O)C2=O)c(OC)c1 568676713 OBACUIDATZYRAK-INIZCTEOSA-N 442.497 1.929 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(N)=O 589159070 GUVXZTNUYKFYQQ-UHFFFAOYSA-N 433.489 1.098 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccccc1C#N 604001950 INRKPXPCOBALJR-UHFFFAOYSA-N 444.516 1.345 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)CC1 728590264 ZFCBMVXUDRBUFQ-QPEQYQDCSA-N 426.336 1.117 30 10 IDEE COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 730251561 GXUVIIOUZQHMTL-UHFFFAOYSA-N 445.497 1.591 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)cn1 732795551 MJEXZTDBQRMOEY-UHFFFAOYSA-N 433.537 1.517 30 10 IDEE C[C@H](CS(C)(=O)=O)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 733202319 QAFLITOJVIHKIC-WBMJQRKESA-N 434.543 1.592 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@H](C)c3cccs3)c2=O)cn1 735069404 UOHOXCCXZYABRY-CYBMUJFWSA-N 427.555 1.436 30 10 IDEE C[C@@H](CC(=O)N(C)Cc1nc(-c2cccnc2)no1)/N=C1/NS(=O)(=O)c2ccccc21 742665882 RWUSPMKNGHTQDO-ZDUSSCGKSA-N 440.485 1.607 30 10 IDEE C[C@@H](CC(=O)OCCN(C)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 744120092 YDQQJNYOSNYWGF-ZDUSSCGKSA-N 425.507 1.914 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCc2ccc(OC)c(C#N)c2)c1 746993062 XEYQRADJHYYYHX-UHFFFAOYSA-N 433.486 1.502 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 774016457 ZAJJUTZMMWGGJH-MRXNPFEDSA-N 427.548 1.371 30 10 IDEE C#CCN(C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774233526 BVZHTFJPWQQCBR-FQEVSTJZSA-N 431.558 1.300 30 10 IDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 777351168 LKYQOXOXLLSKAK-UHFFFAOYSA-N 442.497 1.578 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 780205236 KJINPVDNPGCCIZ-HSZRJFAPSA-N 435.480 1.414 30 10 IDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C1 782668328 MZJQKPRFHNCQPC-UHFFFAOYSA-N 437.504 1.932 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1C 782838631 LLDKQKJZEIOHNJ-INIZCTEOSA-N 444.565 1.027 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)cc1OC 784198270 GUJVFILNPAUTNI-VURMDHGXSA-N 437.514 1.900 30 10 IDEE CCOC(=O)c1cc2cc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc2s1 795099920 DGFHUJQCUJLHMH-ZCXUNETKSA-N 449.510 1.883 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796608873 SLJHNGFCDKSLRJ-IEBWSBKVSA-N 443.529 1.626 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)S/C2=N\CCc2ccccn2)C1 797814596 GYRZTSCGTKMDBE-SYKUQSHFSA-N 432.546 1.792 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)=NO1 798883224 ARWUWRFVVWMDLF-CQSZACIVSA-N 444.492 1.742 30 10 IDEE COC(=O)CCS(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 917757690 WDEDWOMNIFEIKR-KNTRCKAVSA-N 431.536 1.584 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc2c1OCO2 917799560 NQGJKQLUJQVWSZ-UHFFFAOYSA-N 428.429 1.535 30 10 IDEE COc1ccc(CC(=O)Oc2cccc(OCC#N)c2)cc1S(=O)(=O)N1CCOCC1 1129661861 NOUFSDUQIGJTGN-UHFFFAOYSA-N 446.481 1.767 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)cn1 1130701274 PPSXDCSOGYVZTL-JSGCOSHPSA-N 426.395 1.947 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1132418544 ROWVQCKUXOKDCT-VBKZILBWSA-N 437.880 1.653 30 10 IDEE N#C[C@]12CN(C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1134645232 DMLZMSOSLWABJM-GHTZIAJQSA-N 444.534 1.671 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N[C@H](C)C(C)C)s1 1145002921 AKPHTXAFYJIYPV-HIFRSBDPSA-N 445.632 1.817 30 10 IDEE C#CCn1ccc(CN(CCOC)C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)n1 1194010383 WMPSNFCGGKKSCT-GOSISDBHSA-N 432.521 1.517 30 10 IDEE C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CCOCC1 1280098333 WWMLDIBNZKWHGB-WMZOPIPTSA-N 432.498 1.168 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1286386604 DSOMESPAMIGAEE-INIZCTEOSA-N 426.502 1.352 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286395542 RTPFFDRFVBHAPP-DOTOQJQBSA-N 435.575 1.416 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCSC1 1286400440 GDCAGKMZVNZAHY-GOSISDBHSA-N 434.363 1.987 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nc(C)c(C)s2)CC1 1286478882 DCISRGGUTVZSJQ-QGZVFWFLSA-N 448.618 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC23CCC(CC2)C3)CC1 1286485384 JVQRHKRVTDCMMP-UHFFFAOYSA-N 426.565 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C)CC1 1286488391 NDRXEZLKYCRSRW-FDDCHVKYSA-N 446.596 1.235 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286496343 QLWBALCSSNCAHU-BYICEURKSA-N 426.546 1.889 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286690530 RXRMBBAUHFQLNX-MSOLQXFVSA-N 432.569 1.848 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCN(C)C)CC1)C1CC1 1286731174 BRNDBSZYQOISAI-UHFFFAOYSA-N 429.613 1.943 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1286783803 MHXSWJDORHWNAB-UHFFFAOYSA-N 444.492 1.153 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 1286789318 CVYFULJMANDOBE-QHCPKHFHSA-N 438.532 1.455 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286792066 LMZZSGPTQJABJZ-OPAMFIHVSA-N 445.495 1.683 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccc(C(F)F)n2)n1 1290646200 GRQJSCOAIGXRCU-CQSZACIVSA-N 429.435 1.644 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1293250226 GDPOLEHLLUWFSW-YKHTYXQRSA-N 429.525 1.568 30 10 IDEE CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1297005081 FAYGZUNHKCBVBR-JKSUJKDBSA-N 442.586 1.412 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)ccc1F 1298035844 DTNXGLDOBVNIOJ-AWEZNQCLSA-N 433.452 1.666 30 10 IDEE CN(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1298092433 GIEPGMCKZZZUGS-OAQYLSRUSA-N 445.593 1.978 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)ccc1OC 1300018195 DANZIJYZIBOTQN-GOSISDBHSA-N 428.514 1.826 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1300487665 KXYOLDWPUAHRFH-HOTGVXAUSA-N 449.627 1.815 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1ccnc1C 1300534682 DDQPIDBKMLGTRM-UHFFFAOYSA-N 429.532 1.730 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1 1300665015 WPAHWJHPEGFIMO-UWJYYQICSA-N 431.924 1.876 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nnc(CC)s2)CC1 1300685469 OQPPZFVQIMMJHX-NRFANRHFSA-N 445.593 1.536 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1300709806 GWQMCYRBZQHAJM-HXUWFJFHSA-N 438.576 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2F)CC1 1300711249 UUSCBXKICOOCEE-UHFFFAOYSA-N 438.507 1.667 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300754728 GFIALGUPHVDNFE-LJQANCHMSA-N 440.573 1.843 30 10 IDEE C#CCSCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1300778262 QOCAVSVVMNIUSJ-QFIPXVFZSA-N 447.605 1.745 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1301452539 QSRFBJCFZBKDOD-GJZGRUSLSA-N 430.513 1.218 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1301485404 VVXYHJICQRTISP-LBPRGKRZSA-N 435.326 1.710 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2C[C@H]1CO2 1301585385 AHDHXKCAUDMEKW-HKUYNNGSSA-N 432.546 1.868 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(NC4CCOCC4)CC3)C2=O)cc1 1302915559 UBTRUIHTAQOUJS-FQEVSTJZSA-N 439.516 1.523 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1303329704 HDTQHISQQMDCSE-UHFFFAOYSA-N 435.488 1.947 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)C1 1303933676 ADSORIDLLOTFEG-LJQANCHMSA-N 432.435 1.437 30 10 IDEE COCCOC1(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1316223848 BGQPTRQNTIXANW-ZWKOTPCHSA-N 435.525 1.461 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)c1 1355669261 OJDKOHGNGLFJFF-SPJFCROGSA-N 430.490 1.365 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1358889576 DKPCFXVWOCONPK-JKSBSHDWSA-N 449.552 1.850 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1358910034 AJVZXPSFXWPHIM-UHFFFAOYSA-N 442.545 1.476 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358955916 WFJGSGFDLAECKM-MSOLQXFVSA-N 437.610 1.171 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2cccc(OC)c2)CC1 1359035390 SCHZUNVVYDAYRP-FQEVSTJZSA-N 438.532 1.462 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCS(C)(=O)=O)CC1 1359043547 YHMPKWIXAMOMEW-UHFFFAOYSA-N 429.546 1.264 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2Cl)CC1 1359044354 DDYUGZSYXUIQJJ-GOSISDBHSA-N 440.935 1.897 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359057105 SEOWOAJDGWJLPZ-RBUKOAKNSA-N 446.621 1.629 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359292777 XIJPFTSRDYYPCX-RLFYNMQTSA-N 442.495 1.574 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1359305369 BHBGBXSYXXSSJS-VGSWGCGISA-N 449.552 1.007 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1444958827 NWEHOVIYYJWTBX-IAGOWNOFSA-N 439.472 1.155 30 10 IDEE COc1ccc(C(=O)NCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1[N+](=O)[O-] 1452497966 KKJBWQKPXJQCLC-SFHVURJKSA-N 437.456 1.942 30 10 IDEE C#CCN1CCN(C(=O)Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)CC1 1458909533 VJQLBAQZOZVNRQ-UHFFFAOYSA-N 444.417 1.378 30 10 IDEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1460357229 ASTAUINHIJKSOL-SFHVURJKSA-N 449.573 1.579 30 10 IDEE N#C[C@]12CN(Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1460877190 AUIPHWSKSXPWNJ-ZUZCIYMTSA-N 446.842 1.705 30 10 IDEE N#Cc1cn(CC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(=O)nc1O 1469957397 SQQQHHZFDSZMNU-TZMCWYRMSA-N 441.410 1.003 30 10 IDEE C=CCn1cc2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cc2n1 1472037506 VGPGZWSIKIVNDE-UHFFFAOYSA-N 441.513 1.959 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1497465165 GWNNCLPHQXFYDE-QGZVFWFLSA-N 440.504 1.921 30 10 IDEE CCOC1CC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)C1 1502955038 BHYAUPBLMZFSOR-VUQFPLBCSA-N 439.520 1.985 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507518609 VWZPTYQGTNJZGW-MGPQQGTHSA-N 428.559 1.259 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C1CC1 1507521975 SMQGXBPVVJXMTN-YCRPNKLZSA-N 431.562 1.814 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507579415 WDEZXAOPUFMBJW-RBUKOAKNSA-N 432.569 1.158 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507630346 XGVOFCUHWYEPKU-IBGZPJMESA-N 444.605 1.642 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1507631523 QJMBEEGHWCYTSX-GOSISDBHSA-N 449.621 1.672 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCSC2)CC1 1507735680 FBXAIXHRCIIAAS-VGSWGCGISA-N 447.605 1.649 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(N)=O)cc2)C1 1508108918 NXVVDOXVZFQWEW-SFHVURJKSA-N 439.520 1.834 30 10 IDEE CN(c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1517055456 BEXYZYLKWLJOBA-JHBCHSCWSA-N 440.479 1.760 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1517319781 HROSFYPOYJIKJI-QGZVFWFLSA-N 425.518 1.584 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCCC1 1519318469 IXQCKRBJKLEXEN-IEBWSBKVSA-N 432.569 1.874 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)O1 1538456917 NCVRCXPGFLRZCZ-DJABAAGCSA-N 447.919 1.986 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1539237745 KEPRRJYEVBWNFR-JOCHJYFZSA-N 429.521 1.481 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1539370463 WJECLYNZAKTBKY-SFHVURJKSA-N 429.546 1.346 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncnn1C(C)(C)C 1539400977 OHFSEFKOPRMKKB-QFIPXVFZSA-N 445.568 1.800 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1539631104 IWXBFCIRZVOLIR-JQHSSLGASA-N 439.582 1.581 30 10 IDEE C#CCN(CC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1543388773 YDZSBJOSHVSQCE-UHFFFAOYSA-N 438.525 1.052 30 10 IDEE CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1545989762 KEOFWMVMCOZAFW-OKZBNKHCSA-N 440.552 1.974 30 10 IDEE COC(=O)CCSc1ncccc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1546139227 CNPJVEYUQWYMKI-UHFFFAOYSA-N 434.499 1.525 30 10 IDEE CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1546761395 UVHACWMWQZYVPO-UAFUQJIBSA-N 437.504 1.406 30 10 IDEE CCCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1546983441 XXKIJGYCJAUXLB-IBGZPJMESA-N 440.552 1.873 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1 1554979168 KRGMITDENBLWSB-GHTZIAJQSA-N 429.477 1.400 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1Cc2ccc(C#N)cc2C1 1557207510 SZJGXOVIEYGYEX-IBGZPJMESA-N 447.538 1.182 30 10 IDEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1560027145 SLHMXZDQHJPDGU-KRWDZBQOSA-N 437.562 1.435 30 10 IDEE C#C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1560210234 PNQUVPLKNVGILY-MRXNPFEDSA-N 425.938 1.787 30 10 IDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)c1C#N 1561476005 CUPMLENUBUNFBF-UHFFFAOYSA-N 430.534 1.706 30 10 IDEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CCOCC1 1586901056 QTLORNNCCNQCBF-UHFFFAOYSA-N 435.546 1.395 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(S(=O)(=O)NC)c1 1587683975 PZMGKYHOAGKRKU-AYBZRNKSSA-N 447.561 1.416 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)CC1 1588199508 ROQMNFALQQKZGM-UHFFFAOYSA-N 442.419 1.185 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](SC)C(C)(C)C)CC1 1588811785 MUTAQCUOJXDXFN-IRXDYDNUSA-N 439.651 1.713 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1593729469 LAKHPMLWBUHBKE-SFHVURJKSA-N 429.521 1.888 30 10 IDEE C=C(Cl)Cn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1593889175 CBHSFWVFXRVPBD-MGPQQGTHSA-N 445.973 1.720 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594483899 HLHXIPPYXAOYJP-UHFFFAOYSA-N 438.536 1.265 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1nnn(C)n1 1595276089 WROJUGLMMUAKJB-UHFFFAOYSA-N 433.314 1.918 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1595461433 UZBXIKVKMMSKFR-DYXWJJEUSA-N 446.596 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1595522399 DAFFVEJIQSANGV-UHFFFAOYSA-N 446.437 1.957 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1595530016 POPRGPWLQYMBRX-QHCPKHFHSA-N 435.532 1.701 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595603102 XTSYRIVFJBBZNZ-QWFCFKBJSA-N 446.596 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C=C)CC1 1595798032 LMYPRDNBPQJBHV-INIZCTEOSA-N 428.580 1.183 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1611307902 IUXUOGDMDCBVJY-WOCWXWTJSA-N 437.566 1.647 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CCCCCO 1612885467 SQBDNMQQRDQOLB-ZWKOTPCHSA-N 440.552 1.711 30 10 IDEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1618071736 RRGLNNYUNRATBN-NWDGAFQWSA-N 426.336 1.791 30 10 IDEE COC1(C(F)(F)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1619014856 LAUPFOVCBCDPIR-AWEZNQCLSA-N 428.484 1.986 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCC(=O)N1 1619912767 LSFHFJDJMXURPG-CRAIPNDOSA-N 426.477 1.436 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccccc2F)C1 1620170652 HYEKTKBUHDDMSC-SFHVURJKSA-N 448.524 1.538 30 10 IDEE C#C[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1627746017 HHGOWMZYWJPATJ-HXUWFJFHSA-N 445.585 1.788 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1628662777 RNJWSJBVZQCGMI-ZWKOTPCHSA-N 430.505 1.566 30 10 IDEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1630397053 LMLJTFHXOQOIHV-QGZVFWFLSA-N 435.521 1.311 30 10 IDEE O=C1CC(c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC(=O)N1 1636768137 FRQOLFKBDJYIJS-UHFFFAOYSA-N 440.481 1.274 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 1639769140 FGVLNNUBCWIPKE-OAHLLOKOSA-N 426.498 1.619 30 10 IDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1642451153 IIVYFMQLGCRFLF-UHFFFAOYSA-N 430.571 1.187 30 10 IDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221145 PLRYWYVCHYEDEY-UHFFFAOYSA-N 435.458 1.356 30 10 IDEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)cc1=O 1652827216 KNGXCQWGZCVAGM-INIZCTEOSA-N 432.440 1.554 30 10 IDEE COC(=O)C1CC2(C1)CN(CC(=O)N(CCC#N)CCC#N)C[C@H]2C(=O)OC(C)(C)C 1654755521 APLSCEFCJQOQRJ-JQHMZKTJSA-N 432.521 1.485 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)CC1 1670783186 ZJXJDBGIKKKEOE-UHFFFAOYSA-N 435.550 1.093 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ncccn3)cc2C)CC1 1673894155 OKYDTRNMDODPBX-UHFFFAOYSA-N 430.490 1.194 30 10 IDEE C#CCOCCNC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1685865793 PYVJQGFOLVHGFF-QZTJIDSGSA-N 449.552 1.213 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C1CCOCC1 1687126293 KFWQSMMNHRCNQP-IBGZPJMESA-N 426.583 1.251 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cn(C2COC2)nn1 1689824416 OYDYZCZWTMCKAA-INIZCTEOSA-N 434.504 1.816 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1689848662 ZIVSDROZKXZUHU-BXKMTCNYSA-N 449.559 1.590 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689972490 QRKMYMYZGULHQX-RTBURBONSA-N 445.593 1.413 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689983554 CWXRITAFXUFXMB-KRWDZBQOSA-N 432.546 1.741 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)nc1 1690025434 QLEMUSKVDZSIJW-UHFFFAOYSA-N 444.543 1.492 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1690110165 ABSKQCOMXCJLJP-UHFFFAOYSA-N 441.580 1.586 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)CC1 1690124678 QZAPRWARMXCFJM-SFHVURJKSA-N 435.594 1.021 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1690171267 YOEBKUGQKLQXAA-DLBZAZTESA-N 432.594 1.728 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1690218395 DYVGPTOOTDVODS-UHFFFAOYSA-N 427.347 1.774 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690284725 USCRMVLMDBQHRU-UHFFFAOYSA-N 436.538 1.348 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1690671290 SUWXWSBKDZKKOG-SJORKVTESA-N 427.505 1.751 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690672054 GMFSPIWNIQJCCP-VGOFRKELSA-N 440.504 1.055 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(CCC)C(=O)C1 1690719017 FNLOHHYXWUYSBE-UHFFFAOYSA-N 435.550 1.896 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(OC)CC1 1690729873 UMWJBJHAQJFBRE-FQEVSTJZSA-N 439.582 1.397 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1691005212 YHUZKEDFMPDJHO-GJZGRUSLSA-N 428.559 1.022 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCSCCCO 1693553230 XMHZRHGJGGKQNC-MRXNPFEDSA-N 444.561 1.511 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1693853126 OTLUCCATRCAELU-LPHOPBHVSA-N 428.562 1.924 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1695429531 BIUZZUZBPZKSPF-RBUKOAKNSA-N 435.532 1.980 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1698029291 QJMMLJOUCLWGGB-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE COCCn1cc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1698072986 CWSAWMOFPHHKLH-LJQANCHMSA-N 430.513 1.967 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(S(C)(=O)=O)CCCC1 1698230480 HIVDDZWGBXTKBR-ULQDDVLXSA-N 439.582 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705489267 MKZZHPXETVFYDQ-SZMVWBNQSA-N 425.516 1.483 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705567908 CIIMYYBNRORDOC-SFHVURJKSA-N 437.610 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C(C)C)N1CCOCC1 1705603591 QXXFMYGSIRGVGB-BDTNDASRSA-N 443.592 1.822 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2cnnn2)CC1 1705643006 PKYYMETYAKCEAA-UHFFFAOYSA-N 441.927 1.343 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](CC)N2CCCC2)CC1 1705647147 BGUGBCYGUQOUSO-IBGZPJMESA-N 436.564 1.575 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCOCC2)CC1 1705763234 QVLTTWZMWRONKJ-DLBZAZTESA-N 426.587 1.013 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1705773488 SDQOCWRXNASMMG-BJLQDIEVSA-N 433.553 1.653 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705825291 PFKNCXFPOJOHMX-IBGZPJMESA-N 443.552 1.517 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1OC 1705901772 WFFHOMWRGMRUCQ-UHFFFAOYSA-N 438.488 1.953 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1705903491 XACCXZHXWXZAGZ-DOTOQJQBSA-N 447.561 1.685 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](COC)C1 1705931049 CTZUIJDIFBANON-GOSISDBHSA-N 436.534 1.406 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCC(C#N)CC1 1710972177 DIKCCYSNSRGEPN-LJQANCHMSA-N 437.552 1.418 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722363007 YJEIOOXIIABENX-PKOBYXMFSA-N 430.578 1.697 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722364576 LWCRRJCMHGNLOI-OAHLLOKOSA-N 425.461 1.300 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1722365688 NOKVGMUIYLMCDV-INIZCTEOSA-N 443.558 1.099 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1722418876 GLNGBOJBJDTAAV-UHFFFAOYSA-N 435.488 1.067 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[S@@](=O)CC)CC1 1722429655 PSGVSWQPRPEHMY-HKBQPEDESA-N 442.589 1.671 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1722473250 BGZSHDYERUBKFO-CNNODRBYSA-N 449.621 1.409 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)CC1 1722477067 AJVQWBXMTJKRDM-GFCCVEGCSA-N 436.376 1.660 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1722504646 HHYBAQPJBKZBJY-QRFRQXIXSA-N 430.553 1.658 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722630335 DHVLWTGFIVXWBF-GOSISDBHSA-N 434.541 1.297 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1722667484 VKTGISFHOXOTRL-UXHICEINSA-N 445.612 1.942 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1722738454 JSOONXUROHQVKA-IRXDYDNUSA-N 425.624 1.774 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C2CCCC2)CCOC1 1723692485 OYKSSZSSLKFYMG-DENIHFKCSA-N 432.569 1.922 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1723778143 DJOYTLIIIDTBGC-HKUYNNGSSA-N 446.577 1.982 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2CCCNS(C)(=O)=O)cc1C 1724379862 INDDLWBAAIGMRU-CQSZACIVSA-N 447.565 1.682 30 10 IDEE COc1ccccc1CN(CCO)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1730307882 JUNVXIXEVXWNMF-SFHVURJKSA-N 436.472 1.750 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1740657586 TWYHQBLZLMEPGI-QZTJIDSGSA-N 440.525 1.483 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(C)S(=O)(=O)CC 1740666711 ZZUXUPJRDXCRPD-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1740672238 ZPLDIPGELBGXLL-CVEARBPZSA-N 439.582 1.943 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740697989 LJVHVGKZZAAZDY-IBGZPJMESA-N 442.589 1.181 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1740887257 FTIWAKZRSSTBBS-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCNC(=O)CC1 1740963715 USORYWXCLNFKJQ-UHFFFAOYSA-N 440.548 1.917 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1740993806 JHGJIGBPJHQXQB-WOJBJXKFSA-N 437.566 1.661 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1741123734 ANQMONRUHBXFJC-VXGBXAGGSA-N 445.471 1.946 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1741724045 OJUUBCNOYYKWQS-MSOLQXFVSA-N 429.518 1.195 30 10 IDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1744712697 MIBRXMFNONGCIC-MWDXBVQZSA-N 432.525 1.594 30 10 IDEE CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1747443706 CCHJZUHCJSXQJG-UHFFFAOYSA-N 446.581 1.009 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(OC)nc1 1748121711 HPQJRBUVALDVDU-MRXNPFEDSA-N 449.515 1.999 30 10 IDEE COC(OC)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1748455447 GAGXGCIJVRFTFC-QGZVFWFLSA-N 428.493 1.485 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1748812746 ZQZCREATPSJYOG-WBVHZDCISA-N 434.591 1.449 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749039501 VORGEKNOOFBUOL-GOSISDBHSA-N 448.593 1.113 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1749128477 WMVYDCXQQOMPJY-UWVAXJGDSA-N 430.553 1.515 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749368327 GKZOCVRYIAEVBI-ZACQAIPSSA-N 435.594 1.745 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1749464653 AZKNBMYZNZWKKV-INIZCTEOSA-N 429.550 1.804 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1749678083 VPXXLGMUFUPANT-SFHVURJKSA-N 437.552 1.559 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1760137155 FPUVKEBJTQQXEZ-CQSZACIVSA-N 441.508 1.477 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1760189001 FECIDIBVGRXSFF-SFHVURJKSA-N 426.502 1.235 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1CCN(C(=O)OC)CC1 1760251087 WICWMHKVZTWOQR-UHFFFAOYSA-N 426.521 1.828 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1760256449 HDHZNEUZVQYIQY-XMMPIXPASA-N 438.576 1.800 30 10 IDEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1760351381 FIRDKDKVZPZSBB-UHFFFAOYSA-N 445.520 1.842 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCOC1 1760517369 KTMQBEUBWGUBSK-MRXNPFEDSA-N 447.561 1.514 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1760523345 UYJKBOUFMTXRES-OAQYLSRUSA-N 425.468 1.218 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1760523988 MKIHPLOVSQBWRO-GOSISDBHSA-N 426.521 1.818 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCOCC1 1760548289 CLTHSKMJDLNTMR-UHFFFAOYSA-N 448.549 1.389 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1=CCCCC1 1761498712 IIMFMPKSWUWTOD-APWZRJJASA-N 447.609 1.955 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1767733303 BUOALBUSWDKMPH-UHFFFAOYSA-N 434.508 1.246 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1768280870 IQCFSSVLMDQKTN-UHFFFAOYSA-N 432.550 1.355 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1770056224 YIHJKHAOEHLHFU-VQIMIIECSA-N 427.505 1.977 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2(C(N)=O)CCCC2)cc1 1770740029 GYPVQDRDALAMKB-UHFFFAOYSA-N 428.518 1.097 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1771221820 BYGSHWMQVLOQFL-FUHWJXTLSA-N 434.541 1.522 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@H]4[C@@H](COCC(=O)N4C)C3)n[nH]2)c1C 1849760836 GZUHBRRKPQYNDQ-APWZRJJASA-N 426.521 1.785 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(C4CC4)ccc3C#N)CC2)cc1 1852347690 GUWLXDRTKNFLCA-UHFFFAOYSA-N 426.498 1.986 30 10 IDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N(Cc1cccc(F)c1)c1cccc(F)c1C#N 1853067587 XXFASLHCJCDPNX-LJQANCHMSA-N 433.436 1.973 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862564009 QBFMRTLRWVZZNF-SFHVURJKSA-N 440.412 1.597 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c(O)c1 1862627060 JEEWBALPVXEEIU-IBGZPJMESA-N 440.408 1.541 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(CC)cc1 1865729128 LSTXYQBWSSIYNS-QGZVFWFLSA-N 436.512 1.542 30 10 IDEE C=CCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873593390 BLKWICSNCNMFAD-QGZVFWFLSA-N 448.531 1.643 30 10 IDEE CCCOc1c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)cccc1OC 1874434064 LLASGOTXBNMLRU-UFFVCSGVSA-N 435.506 1.859 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@@H]2CN3CCN2CC3)[C@H]1c1ccc(C#N)cc1 1889363064 ALBBPMOZMPDXOX-NRSPTQNISA-N 427.574 1.068 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902018108 WQCDYMHOYFFKDW-OAGGEKHMSA-N 425.526 1.637 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 1962319515 RGZNHGZFPJFASL-HNNXBMFYSA-N 433.324 1.852 30 10 IDEE NCC#Cc1ccc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 2146010558 RJEWAHVOFCFCBH-UHFFFAOYSA-N 425.510 1.493 30 10 IDEE C[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247954163 YRJILZYWVVPFCR-OAHLLOKOSA-N 435.355 1.291 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248572154 MBTDGDAFSVVBLJ-AWEZNQCLSA-N 425.310 1.842 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255606107 UIDPLDFPVMMNEY-XMQYKBBCSA-N 432.330 1.552 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255611227 RXMJMAJFQDURDP-HIFRSBDPSA-N 434.346 1.845 30 10 IDEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C1CN(C(=O)OC(C)(C)C)C1 2255695757 KFKUVEDTICMMOT-UHFFFAOYSA-N 435.330 1.947 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2255806670 IQIUKTQLZJLZPZ-ZFWWWQNUSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844071 QCIGRCJAEYZWSN-UHFFFAOYSA-N 436.318 1.047 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256613671 JYHSBZJVJAHFOF-AWEZNQCLSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2259934425 WOPIUNREDWNMJS-YEJXKQKISA-N 432.330 1.696 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266996612 PSDNETNTUMZIRT-GASCZTMLSA-N 446.357 1.862 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2267228578 KYQFZELKWMTNQO-UONOGXRCSA-N 441.259 1.795 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1cccc(CC#N)c1)NC(=O)OCc1ccccc1 2286035217 TYVDYYWUDLLZHM-SFHVURJKSA-N 431.470 1.962 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2317677540 WQXVGOLMBJPYIQ-CQSZACIVSA-N 435.330 1.650 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1C 2337187797 JJKPOXGGYAYNTA-CABCVRRESA-N 448.373 1.918 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2337204230 IPXPVPZITBCXIS-RCDICMHDSA-N 446.357 1.706 30 10 IDEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2nncs2)n1N 20911510 FVHAYBJPLMMKKZ-YAXRCOADSA-N 435.543 1.414 30 10 IDEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n2)o1 59844358 VZMNRPMTTGBQOD-QGMBQPNBSA-N 445.465 1.855 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc21 427339609 WLJWBEMNDWBFFK-LJQANCHMSA-N 443.463 1.660 30 10 IDEE CN(C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc1 427790301 RKYJGUNXHDLAFZ-UHFFFAOYSA-N 426.495 1.338 30 10 IDEE N#Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)ccc1OC(F)(F)F 443295722 OACKDKZQGCCLSZ-AWEZNQCLSA-N 440.378 1.291 30 10 IDEE COCC[C@](C)(C#N)NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 464569672 NRUYNIPUVPCAKB-HDSGHUPDSA-N 433.508 1.901 30 10 IDEE N#Cc1c(CCCNC(=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)nn(-c2ccc(F)cc2)c1N 503280692 FVELOAVNPHWPFS-QMVVUROPSA-N 431.471 1.841 30 10 IDEE N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 504821756 QKZASQCTPLOIEK-UHFFFAOYSA-N 444.900 1.753 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)C2=O)cc1 508653849 GNHOFVVBVABGGB-YLJYHZDGSA-N 437.475 1.836 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](OCc4c(C)noc4C)C3)CC2)o1 547295131 WERRMKQJOYOFSX-QGZVFWFLSA-N 428.493 1.399 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 551307250 BHQSVACCJAKXBS-UHFFFAOYSA-N 426.498 1.055 30 10 IDEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 555242194 GDQWQSIBKUYGLA-UHFFFAOYSA-N 447.543 1.940 30 10 IDEE COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 576510054 LWBGKGMVXYNDGB-UHFFFAOYSA-N 437.424 1.317 30 10 IDEE C=CCN(CC=C)C(=O)N1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 585967821 UELKHUMNAZKLLF-GOSISDBHSA-N 434.562 1.925 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N 604000942 INHNKRWZSFLAKX-UHFFFAOYSA-N 430.464 1.715 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 611492484 UAPDYTWHJZVTGD-UHFFFAOYSA-N 445.472 1.866 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 680307516 DJCXDAZUUMEBOV-RJGXRXQPSA-N 439.604 1.917 30 10 IDEE CC#CC[C@@H](CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br 717759147 FPRJDYPDPNOYMK-VIFPVBQESA-N 426.130 1.846 30 10 IDEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@H]1CCS(=O)(=O)C1 729334735 UQVALUNYFFIEFO-AWEZNQCLSA-N 435.502 1.726 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795338 CDMYHIRCGKKKTR-KRWDZBQOSA-N 428.558 1.984 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 741213527 PZFZEQWLVIJQFX-LJQANCHMSA-N 431.535 1.923 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 745872886 DTNAPZJNWWDHSK-ZWKOTPCHSA-N 437.585 1.699 30 10 IDEE COCCOc1cc2c(cc1C=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)OCO2 746491355 BMSHRJHPVBGXPC-UHFFFAOYSA-N 437.430 1.802 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1 747763281 LFRMSGDIFCYEKU-ZDUSSCGKSA-N 440.474 1.385 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccc(F)cc3)c2)c1=O 758075865 MRWSNWFYRGXMMK-UHFFFAOYSA-N 432.480 1.740 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@@H]1CCCO1 761837556 ZDWVEHHQILEZED-AWEZNQCLSA-N 444.582 1.450 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1noc(Cc2ccccc2)n1 767632278 VNTRWPRSIIMDTK-AWEZNQCLSA-N 426.454 1.942 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1C 768421798 OOBWGRAJQWHKJV-QGZVFWFLSA-N 443.577 1.632 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(C(F)(F)F)nn(CC)c2C(F)F)CC1 769187212 XSDYONIAMKBKSZ-UHFFFAOYSA-N 435.397 1.757 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 781596839 AFIDXWCKOOZZRL-HEHGZKQESA-N 426.495 1.228 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 784127051 GILVGDHQULFLLU-KRWDZBQOSA-N 436.965 1.989 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1)c1cc[nH]n1 789976159 IFRQOYUUZSSCRA-OAHLLOKOSA-N 429.477 1.487 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n1 790104224 LXFWKXXIGINKCK-UHFFFAOYSA-N 438.509 1.853 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCCC3CS(=O)(=O)C3)CC2)cc1 790433970 WZRCPKSMNXECBU-UHFFFAOYSA-N 443.547 1.237 30 10 IDEE C=CC[C@@]1(C(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 791716114 BIYPMONQSHVISJ-ZHRRBRCNSA-N 437.537 1.955 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2C(C)C)c1=O 794645945 SCMZZYGKXURDMT-UHFFFAOYSA-N 432.505 1.715 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 795935069 YMHFIOKCVVADQZ-KRWDZBQOSA-N 443.552 1.328 30 10 IDEE CC(=NNS(=O)(=O)Cc1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 797401457 GKSXJRROEKYKNF-UHFFFAOYSA-N 446.348 1.940 30 10 IDEE C[C@H](C(=O)N(C)S(=O)(=O)c1ccc(I)cc1)n1cnc(C#N)n1 798830430 QIZOACHLLDFUEM-SECBINFHSA-N 445.242 1.163 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccs1 802702440 IKVCUDIRFXCTBS-UKRRQHHQSA-N 435.579 1.175 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1C#N 805028698 HOKDYIJCBSAROJ-UHFFFAOYSA-N 448.523 1.781 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2)c1cc[nH]n1 813541037 XTPNSDRECWWZFM-UHFFFAOYSA-N 449.508 1.696 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@H]1CCCO1 818222007 UWISHCLYQOBSSX-GOSISDBHSA-N 448.548 1.665 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccc(C#N)c1 917093766 OJUVROJCBDHRSK-LJQANCHMSA-N 429.498 1.904 30 10 IDEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CCOC)c3)n2)s1 1084114671 LERXKLRGYAUXJJ-UHFFFAOYSA-N 436.527 1.238 30 10 IDEE C#CCN(CC#C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1167464523 NJMSJJBPPGLIHE-LDADJPATSA-N 441.534 1.301 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 1175230570 XSJZTZHXORJTPU-LBPRGKRZSA-N 425.532 1.099 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 1187437297 FOMIVJYRTCVTNA-UHFFFAOYSA-N 426.424 1.147 30 10 IDEE C#CCN1CCC(NC(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)CC1 1225151210 XFLNQGRRNWOLST-UHFFFAOYSA-N 432.590 1.846 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286356701 TWCALTYITNPOPQ-SFHVURJKSA-N 442.589 1.984 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(Cl)cccc2OC)CC1 1286471319 LBULIPXQEREZLV-UHFFFAOYSA-N 442.951 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)CC)CC1 1286487245 LXOAXINISXLEIX-WJOKGBTCSA-N 438.557 1.551 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286513035 PXBPAQCWAFWVBS-FTRWYGJKSA-N 436.534 1.799 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286600556 BOZMGHXRKLBBGE-INIZCTEOSA-N 427.571 1.413 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 1286809649 UQUFGIHZALWDOH-MRXNPFEDSA-N 432.550 1.874 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1286831223 BKQBLKLWBIOIOF-MRXNPFEDSA-N 442.607 1.485 30 10 IDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1288394916 DDHXAPKINBDKTD-UHFFFAOYSA-N 434.504 1.828 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1=CCCCC1 1288862420 JKNWHUTYZAQTCH-QAPCUYQASA-N 433.582 1.565 30 10 IDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1290528439 HAEGSDJMJSCANC-UHFFFAOYSA-N 436.520 1.895 30 10 IDEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CC(=O)NCC(F)(F)F)C2 1290672581 AVSUVCYCRTUUMX-UHFFFAOYSA-N 445.409 1.415 30 10 IDEE CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1292981607 JXNFYXJSKMQXTG-DNZUHHBVSA-N 445.524 1.470 30 10 IDEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Cc1ccccc1 1298713506 FHRNSGZLAQAKHA-RTBURBONSA-N 444.561 1.041 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)CCO1 1299153599 AUXPXAMLFHCLAX-INIZCTEOSA-N 434.447 1.725 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1COCCO1 1300438001 COBKDNUGAKDJKY-INIZCTEOSA-N 432.550 1.422 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1300604600 MQAJNNQQUGDOPO-KRWDZBQOSA-N 426.477 1.410 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCn2cnnn2)CC1 1300719282 VELQFXDQFNBQGQ-UHFFFAOYSA-N 433.520 1.296 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300823244 AFPHVMCJXDOEEQ-ZDUSSCGKSA-N 440.346 1.365 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1300901306 XJZJARXGKPRUJV-MRXNPFEDSA-N 426.587 1.693 30 10 IDEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCNS(C)(=O)=O 1301204003 ZMUGTGQKXFSMNV-UHFFFAOYSA-N 445.387 1.998 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1301458582 CRAOLYIGIVCMPG-HNNXBMFYSA-N 433.534 1.666 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1301489854 FDZJXWQEBHPIPO-UHFFFAOYSA-N 426.521 1.988 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301506591 MSVHPAQCAQBAGY-JOCHJYFZSA-N 443.573 1.495 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C(=O)OC(C)(C)C)C1 1301555418 XBLGLOITXQQQOM-HOTGVXAUSA-N 434.541 1.877 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1302979480 QRWJMGYKGWTPJW-SPYBWZPUSA-N 428.459 1.580 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](COC)[C@H]1CCCOC1 1303724808 DCLOKKJCIOGGNU-RYQLBKOJSA-N 437.562 1.842 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1304008788 WGLABWNRBZYUJF-UHFFFAOYSA-N 447.499 1.817 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3C)CC2)c1C#N 1310869276 HQONUOOXSJKIRR-UHFFFAOYSA-N 445.549 1.513 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(F)ccc(Br)c2F)CC1 1311259735 APVWDOHCUARYRK-UHFFFAOYSA-N 437.266 1.344 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1312954406 UJCCWVBUHJDLAO-OAHLLOKOSA-N 428.555 1.065 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(F)c2F)C1 1324332495 DSVFITGGFSWFRI-FZMZJTMJSA-N 439.488 1.836 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1358890641 SJJUXWKVGNKHTL-FUHWJXTLSA-N 433.534 1.148 30 10 IDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(=O)(=O)CC 1358941828 ZJRVUUKNEVQULE-UHFFFAOYSA-N 444.330 1.855 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1358949345 ZCLQCFCWSHATQC-IBGZPJMESA-N 447.561 1.518 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358963700 MQKHESUGLDWGMM-MSOLQXFVSA-N 436.578 1.494 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1358964774 HFGOLIKYVXHOHL-IBGZPJMESA-N 445.614 1.819 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cncn1 1358978838 WELGIXCRWYOQCC-UHFFFAOYSA-N 438.536 1.757 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1358980492 XFFBRMOCANTPFK-UHFFFAOYSA-N 434.525 1.293 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N(C)C)CC1 1359032787 CODXQGSUEAARBX-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCN2CC)CC1 1359044742 NLXUDZQONLTMOD-UXHICEINSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2CCN(CC)CC2)CC1 1359045116 XLSNVAHODPYDSR-NRFANRHFSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359048124 GDBCMOFQSWKBTL-UHFFFAOYSA-N 438.561 1.376 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359057462 ZQKNIMYCJJSTQO-IEBWSBKVSA-N 446.621 1.675 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC(C)C)CC1 1359098228 YTWQDLOLRQBUJR-SBHAEUEKSA-N 446.596 1.757 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1359279332 BEWBZFUMCPBTDF-UHFFFAOYSA-N 434.928 1.914 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2o1 1359300917 MXAIPQXOYCIFJK-INIZCTEOSA-N 443.529 1.865 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)CC1CC1 1359717134 JOSQLJBHMWAXAY-UHFFFAOYSA-N 443.577 1.820 30 10 IDEE Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cnn1CC(C)C 1360953362 RKIVLISJJMTCRN-GJZGRUSLSA-N 436.586 1.693 30 10 IDEE COC[C@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCCN1C(=O)OC(C)(C)C 1443537883 ROYYLYLWYDMORP-IIUXCQHESA-N 436.509 1.435 30 10 IDEE Cc1cc(N2CC[C@@H](NC(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2=O)n(C)n1 1445062874 RZXMXJHUPOMQSW-GOSISDBHSA-N 438.337 1.871 30 10 IDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1 1449501315 HIIUWMPIRPPDSX-LJQANCHMSA-N 428.514 1.925 30 10 IDEE Cc1cc2nc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc(N(C)C)n2n1 1457933157 CTEXWLUXEPOZGG-CYBMUJFWSA-N 427.490 1.281 30 10 IDEE CCNS(=O)(=O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1464846220 QDEKFSNJNWSUFP-KRWDZBQOSA-N 436.534 1.448 30 10 IDEE C#C[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccc(Cl)cc1F 1478899967 ISVLTXONZKZVDE-INIZCTEOSA-N 434.855 1.156 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1503056321 ADTLOUDBCNJWBG-PBHICJAKSA-N 434.438 1.910 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1503694724 BAQOZLWTXHIGPH-AWEZNQCLSA-N 446.581 1.606 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1505041454 WJESKQHUWYKEGA-UXHICEINSA-N 438.532 1.975 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1505323636 HYVIYLXOYZQJGN-KRWDZBQOSA-N 444.467 1.007 30 10 IDEE NC(=O)CCC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1505333586 ZJKJBPJOEPDKFO-MRCUWXFGSA-N 441.536 1.239 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507632985 RBOCVCBGOAJQID-MJGOQNOKSA-N 432.521 1.986 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cn3ccsc3n2)CC1 1507715664 GHISRWNERFEHLT-UHFFFAOYSA-N 440.577 1.709 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)CC1 1507729943 LYMJBQIUBPYFHG-LJQANCHMSA-N 436.626 1.054 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507756673 PXWVECUFJSDOGP-QFIPXVFZSA-N 426.590 1.931 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1)C1CC1 1507992347 BYPSXRIRFVITNY-KRWDZBQOSA-N 425.555 1.192 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCNC(=O)CC1 1508072393 JLPUFGJFNISUHT-CQSZACIVSA-N 428.562 1.760 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1508092667 SGSUJIZXOWYBGI-HUUCEWRRSA-N 431.497 1.169 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1Cc1ccc(C#N)o1 1509655192 DHPXKAVCVLGCOR-MRXNPFEDSA-N 441.536 1.918 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1519070200 BEGWVUCGHUKWOC-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1519373984 LOBACOPVHYHXGE-RXVVDRJESA-N 429.546 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)C 1538983794 XUFRMUHMCFOTEX-INIZCTEOSA-N 446.577 1.426 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1539149738 ZSPVURXBPYJFNA-QGZVFWFLSA-N 428.512 1.791 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539220335 ITKOSDRIBKPIFE-OTWHNJEPSA-N 435.594 1.141 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539257350 RIHWZVMZFBDWPG-UHFFFAOYSA-N 433.516 1.611 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1539266906 VGTBOQJNPWHSTR-LJQANCHMSA-N 431.456 1.017 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1539430612 LZGCGMSXPJUSMQ-BJKOFHAPSA-N 439.560 1.593 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1539760246 ZKEPRJQRKNEDAA-KGVIQGDOSA-N 433.553 1.485 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)c1ccccc1 1539765938 LCENEPZMGSTTDG-SZMVWBNQSA-N 444.561 1.317 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1539772282 GKXRSJPHJSUMDT-UHFFFAOYSA-N 427.900 1.738 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 1540005813 OUNXCBYPESVMIX-GOSISDBHSA-N 438.598 1.109 30 10 IDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 1540863859 HLPZEMORJCRVBM-UHFFFAOYSA-N 428.512 1.869 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCN(C)C(=O)C1 1540864557 DJYKWSOPOYMQHZ-AWEZNQCLSA-N 428.562 1.712 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(COC)CC1 1540871174 GABJLCJCPKUTOT-IBGZPJMESA-N 427.505 1.956 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1540906951 HQLVGWSIANBTCE-QFIPXVFZSA-N 446.573 1.660 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1541470024 ASTNDTJSKPIBFA-JTSKRJEESA-N 425.537 1.610 30 10 IDEE C=CC[C@@]1(C(=O)Nc2cnn(CC(=O)NCCOC)c2)CCCN1C(=O)OC(C)(C)C 1545079284 ZGVVPBFIJOEYLO-NRFANRHFSA-N 435.525 1.930 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1548179909 ZOHLUNMXNNHJFX-HSZRJFAPSA-N 437.548 1.487 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC[C@H]1C 1555188934 UKDDSOKPXAIJSQ-CRAIPNDOSA-N 433.534 1.635 30 10 IDEE N#C[C@]12CN(C(=O)CCSCc3nc(O)c4ccccc4n3)C[C@H]1CS(=O)(=O)C2 1558643431 WCJUWTLKGHYWEH-ORAYPTAESA-N 432.527 1.355 30 10 IDEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(C)s1 1564390091 KKYZYKSDBAXYJK-UHFFFAOYSA-N 448.574 1.442 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1587627696 WHLJJUMTTDZHBO-CRAIPNDOSA-N 426.496 1.711 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588024354 ALVOLMWJRSXKLF-OAHLLOKOSA-N 449.602 1.715 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1588046129 YBLSTTOMXOMTNQ-QGZVFWFLSA-N 442.520 1.916 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCOC2)CC1 1588872038 WHDOAVWWQPOMAX-HSZRJFAPSA-N 425.533 1.326 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1588884696 KOUJKJLQHBAPRC-ROUUACIJSA-N 442.564 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H]2C)CC1 1588930022 LFVMISHFVVZURO-QXAKKESOSA-N 447.605 1.582 30 10 IDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1589042595 HNMRXBJINSHHDR-UHFFFAOYSA-N 442.564 1.851 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1595296608 GWLQMRCDAYZESI-MRXNPFEDSA-N 444.927 1.807 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1595603025 VSVQEPGHSKFGBB-GOSISDBHSA-N 442.495 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CO)CC1 1595824009 VCLZFLBIOTYAJD-UHFFFAOYSA-N 438.525 1.806 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595831851 XWMYNRAOZCGSNX-GPMSIDNRSA-N 426.539 1.115 30 10 IDEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC[C@H]21 1596129798 HXXTXUGOTGHUFA-OXFYSEKESA-N 447.557 1.943 30 10 IDEE O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NCC(F)(C(F)(F)F)C(F)(F)F 1611602163 MJGWPXNYYMPSFJ-UHFFFAOYSA-N 436.309 1.790 30 10 IDEE CCOCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1617046364 KTZPIAYKJMZZOZ-SFHVURJKSA-N 429.569 1.800 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1617594918 HKJLSPTYAODVQC-IBGZPJMESA-N 435.532 1.886 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 1617846614 ZFLWBFQWWMOXIV-HNNXBMFYSA-N 436.534 1.487 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1618895041 DZWQSJSZPSBWOV-QGZVFWFLSA-N 439.520 1.426 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)cc1 1619239572 HJOMEFJGSJKXIV-IBGZPJMESA-N 426.521 1.715 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1COc2ccccc2O1 1619913441 CSLXMCSJQWDXLC-QGZVFWFLSA-N 440.504 1.607 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(C#N)cc4[nH]3)CC2)cn1C 1623604489 IBYAMGXWBLLSEY-UHFFFAOYSA-N 427.490 1.516 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(CC(=O)OC)CCOCC2)s1 1627386448 GSCIRSQNTXPHFX-UHFFFAOYSA-N 430.548 1.231 30 10 IDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1630805565 XUDVONZIVHTZDK-ZDUSSCGKSA-N 434.338 1.335 30 10 IDEE C=CCOCCCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1636987794 RSBXQNFALGRWKA-UHFFFAOYSA-N 439.534 1.457 30 10 IDEE COc1cc(Br)cc2sc(NC(=O)Cn3cc(C#N)c(O)nc3=O)nc12 1647836071 RSEZNEOHLPIAOZ-UHFFFAOYSA-N 436.247 1.840 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 1654737307 GYSARDXXYKMTDN-WMZHIEFXSA-N 437.569 1.586 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@]23COCCN2C(=O)COC3)cc1 1658661551 UTNGAPXVVGFTDH-JOCHJYFZSA-N 428.489 1.250 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 1665355784 GIOQMLBIWQQTRI-AWEZNQCLSA-N 433.328 1.404 30 10 IDEE C=CC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1683683995 IGMDDGVRMKMQJK-UHFFFAOYSA-N 436.578 1.755 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)Nc3ccc(OCC)cc3)CC2)C1 1684082734 GTEMKSUYUHNZAI-HXUWFJFHSA-N 427.549 1.449 30 10 IDEE N#Cc1cccc([C@H]2CN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CCO2)c1 1684829650 IUSUXBLUNXMQJH-HXUWFJFHSA-N 433.468 1.893 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1689852864 LUAUUUJSKORPPX-SJORKVTESA-N 439.582 1.276 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1689907585 DKNZMIZFQNWNID-UHFFFAOYSA-N 428.459 1.725 30 10 IDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689907736 KHOMFPVHSAOLRK-GOSISDBHSA-N 448.549 1.573 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)cc1 1690019739 QIKMUVYNDFYNAG-INIZCTEOSA-N 434.468 1.903 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccnc1N1CCOCC1 1690104750 HVLQAHMVOQVMHB-UHFFFAOYSA-N 447.543 1.630 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1690113129 ACJOZWGHMSVGRQ-XMMPIXPASA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690125460 HRNYUAKFXJQCAR-UHFFFAOYSA-N 445.564 1.731 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690512058 KZNSYQIYRJHFAH-UWJYYQICSA-N 435.525 1.552 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1690572007 PWYQOJNKJQZLEL-DLBZAZTESA-N 447.536 1.791 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690674394 ZEYSTUOSZRTVLX-OAHLLOKOSA-N 426.550 1.663 30 10 IDEE CC(C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692400114 KCOSPJIOLKBCSC-WUKBZCGHSA-N 446.552 1.937 30 10 IDEE CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)C2)CC1 1695885003 ADFSEHCSYQIBIZ-HXUWFJFHSA-N 436.564 1.121 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1697956032 XGFSJDIWECBCAB-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1698079160 KQYTYVHFAYILMA-MGPUTAFESA-N 447.540 1.571 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](OC)C1CC1 1698150303 FYMPYEPIYGOTFQ-KUHUBIRLSA-N 442.520 1.962 30 10 IDEE CON(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1698263492 COCNXIJDRDMFMY-FYWRMAATSA-N 436.270 1.560 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCOC2)c1 1705503925 IPDXUHWBMGZSNX-GOSISDBHSA-N 438.532 1.899 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)CC)c1 1705508412 UYFQCUYFBGQHBL-QHCPKHFHSA-N 438.532 1.618 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705538298 IUZXWCBKHPTPCD-UHFFFAOYSA-N 440.470 1.709 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(N)(=O)=O)cc1 1705618649 OXTBBPCVCYNYOV-HKUYNNGSSA-N 447.561 1.352 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1705624452 BQTDECDIESEYRS-AOMKIAJQSA-N 430.505 1.588 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1705699717 KVOWHBPQPUOWDL-AQNXPRMDSA-N 447.580 1.742 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705835047 YJFFKWZABZTMRE-CVEARBPZSA-N 432.550 1.564 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705907302 HULJVOUTAZFWNK-QGZVFWFLSA-N 440.596 1.753 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 1705922309 KNULDRCOPJTTND-ROUUACIJSA-N 431.585 1.037 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 1705923479 HEWRNQROHGZNHV-INIZCTEOSA-N 426.583 1.588 30 10 IDEE Cc1n[nH]cc1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1706999584 ACHARZXNTYVHED-UHFFFAOYSA-N 439.545 1.962 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711074047 RGUYPIHLBGPOSH-ZBKJMMEJSA-N 447.499 1.816 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CC2=O)cn1 1711255952 QERGIFOJKAIZPS-UHFFFAOYSA-N 434.504 1.566 30 10 IDEE COc1cc2c(cc1OC)CN(c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O)CC2 1711709859 LUDPNGZHELUDLV-QZQOTICOSA-N 438.488 1.693 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCOC1=O 1712641504 KUGVPZKWHJOLRT-FIKGOQFSSA-N 432.525 1.974 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722366158 QASDQLZMHWZGJP-LPHOPBHVSA-N 434.537 1.917 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722375882 RVRXMTLUXYYTSO-UHFFFAOYSA-N 426.542 1.520 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722419945 DRDAEMIOBAXCQA-LAUBAEHRSA-N 448.520 1.111 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722426383 HFEJFZHRPKAYRH-LJQANCHMSA-N 445.589 1.545 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722500648 CNFLBKXTIURAPC-XWFZLUIHSA-N 430.553 1.344 30 10 IDEE C=C(Cn1c(Cc2ccncc2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1722539915 DGQOJHOLXOQRON-UHFFFAOYSA-N 426.546 1.963 30 10 IDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1722540040 AFKMDPOCVWBAPR-FQEVSTJZSA-N 443.573 1.952 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1722702590 MRAMGTLPAVQRQC-BFYDXBDKSA-N 432.525 1.140 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722725477 MDDRWBGFNGPLIH-QGZVFWFLSA-N 447.561 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(N)=O)CC1 1722749667 IKLMQGSUVOCXHE-UHFFFAOYSA-N 431.562 1.810 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1731184455 AVBRQFRRVVQKRU-RDJZCZTQSA-N 446.458 1.855 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1740653387 KUCAQKSFCKXLNZ-UHFFFAOYSA-N 430.468 1.616 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1 1740678155 CIVMYZQGMNZVAD-UHFFFAOYSA-N 441.536 1.644 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)CC1 1740693237 VEYZPBBHFOKIFQ-UHFFFAOYSA-N 444.341 1.473 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1740764699 IXXZTZHJFYHKGS-HQRMLTQVSA-N 433.553 1.842 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740852729 RBYXDPGUBHMJHW-VGSWGCGISA-N 435.569 1.872 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1740888841 JJJUIDVZNLIFAS-DLBZAZTESA-N 426.587 1.156 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1740891242 WHCVDZNXYKDPEQ-GFCCVEGCSA-N 448.471 1.895 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCn2nc(C)nc2C1 1740951250 DNYUDAYMUDMLCY-UHFFFAOYSA-N 449.519 1.370 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1741130572 AGRAHLUQBAJAHB-CVEARBPZSA-N 433.534 1.860 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCOCCCO 1743234331 IMNNTNRPNOQVCY-INIZCTEOSA-N 437.508 1.049 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1746577753 CMEZONGWWBUALC-KRWDZBQOSA-N 435.492 1.708 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cnn(C)c2C)c1 1748693108 YCMPQJCFQUZTAI-UHFFFAOYSA-N 441.499 1.882 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)CCOC 1748829094 TWUKYBJIXUZOFR-IBGZPJMESA-N 434.338 1.906 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(CO)c2)CC1 1748977711 AFYQZSYWUZBCSY-HSZRJFAPSA-N 425.533 1.226 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)N(C)C 1749073461 QATPTUCNNNVJAL-OAQYLSRUSA-N 431.562 1.783 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749730855 SVPTVGKFLABZOK-UHFFFAOYSA-N 432.550 1.369 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749745300 YMLJQCSOXJVANY-JYJNAYRXSA-N 429.612 1.813 30 10 IDEE CC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749994325 LPESAANSNZHQHX-HNENSFHCSA-N 443.552 1.455 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1750380819 ZCPADXNLPVQRSA-WHSLLNHNSA-N 430.459 1.707 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1751094340 IDKJMBZOJOKGLE-DLBZAZTESA-N 432.550 1.889 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1760172235 NDWGLVCTABAMLH-MRXNPFEDSA-N 429.529 1.539 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760183366 AYSQXROQOFQUJS-HXUWFJFHSA-N 439.541 1.870 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(CC)c1 1760214940 JBQVJXUWZMDKBU-UHFFFAOYSA-N 426.488 1.648 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](C(F)F)N1CCOCC1 1760237376 HQGQTKTXZRQLAK-SFHVURJKSA-N 435.523 1.955 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(CC)nn(C)c2OC)CC1 1760257963 CVWQIEUQZDEZLJ-UHFFFAOYSA-N 444.543 1.925 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1 1760315833 JJMYQWRISSLCHZ-ULQDDVLXSA-N 428.555 1.218 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1760504822 CLWMAXRAUURRAE-RBUKOAKNSA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760519736 NJNARCYTXIOVSF-INIZCTEOSA-N 432.550 1.074 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ncnc3ccsc23)CC1 1760550905 NCAUFIYUHWVROX-UHFFFAOYSA-N 433.563 1.519 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1760555698 KYDKCANPKLJHSQ-INIZCTEOSA-N 437.566 1.227 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)[C@H](C)C1=O 1761120558 BDANRQRINKVSQX-QGZVFWFLSA-N 448.535 1.587 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1761363188 LJCGGGSTEFUQLY-CABCVRRESA-N 437.526 1.018 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1764995068 DBHJSJNKOUAOHW-KRWDZBQOSA-N 442.545 1.499 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1766618673 JSLFDASADFHISJ-RXVVDRJESA-N 440.548 1.922 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1766853451 JQONLOTXRNYECW-RBUKOAKNSA-N 435.532 1.742 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H]1C 1767944041 XEKZXBAQEUAHRL-HNNXBMFYSA-N 446.533 1.528 30 10 IDEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1768061208 VBZGJSKRBGWANL-LALPHHSUSA-N 439.435 1.590 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1771534691 KXZSSHJGWLCIHP-QGZVFWFLSA-N 446.458 1.855 30 10 IDEE Cc1c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cnc(N(C)C)c1Br 1849852224 RQJSXOHHWKRMDH-UHFFFAOYSA-N 430.310 1.841 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N=c3[nH]n(-c4ccccc4)cc3C#N)cc2)CC1 1852015084 KIPIADCSUQDXNI-UHFFFAOYSA-N 442.479 1.722 30 10 IDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)ccn1 1853780778 BHROCNDNKAZFAH-UHFFFAOYSA-N 438.387 1.645 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C(C)(C)C2=O)CC1=O 1854443235 CICHTEXEYUIHCD-INIZCTEOSA-N 433.530 1.168 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)CCCc2ccccc2)C1 1858335970 QOAIXVNRKJSYLO-IBGZPJMESA-N 433.555 1.873 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCCO 1870569495 GYEWYUSFEYZDHT-UHFFFAOYSA-N 433.534 1.582 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 1890387751 VODBIVSLZSVCIR-UHFFFAOYSA-N 443.972 1.900 30 10 IDEE N#Cc1cccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)c1 1891534814 SSIXKXQUVLYLBG-UHFFFAOYSA-N 445.455 1.319 30 10 IDEE C#CCOC1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1892080435 SDPSMZWSJDTULF-QGZVFWFLSA-N 441.347 1.853 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)=C[C@@H]1O 1910967365 OHJHMIKZKNOJMB-XHSDSOJGSA-N 436.509 1.542 30 10 IDEE CN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C[C@@H]1C#N 2010547471 XMEOCVGXLPUXRD-CVDCTZTESA-N 427.549 1.822 30 10 IDEE CCOC1(C#N)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164487968 RQZAVAOFMSOMNO-LJQANCHMSA-N 437.493 1.735 30 10 IDEE CC[C@@H](C#N)N1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164488831 YSFOGOQLMGVLRE-MGPUTAFESA-N 436.509 1.260 30 10 IDEE C[C@H](CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2243678813 OIKNTBIPQCUPDE-LLVKDONJSA-N 426.348 1.891 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2248584524 YLJOBOMPRUEHAX-UHFFFAOYSA-N 432.307 1.656 30 10 IDEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1NC(=O)OC(C)(C)C 2255627462 TXYDUMFLCLIICR-KBPBESRZSA-N 436.318 1.073 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633075 VYSMBUCYMPCUFM-STQMWFEESA-N 438.309 1.786 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255654826 DUNRBFXHPKGHSV-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(OCc2ccccc2)C1 2255752622 KPIGQCPXSZXADV-UHFFFAOYSA-N 447.366 1.745 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818695 OTNYRRPRAWAYGI-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255843298 FLOHOUKLRIIMEA-UHFFFAOYSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255867219 ZIWXUANXEJKKJK-QFIPXVFZSA-N 434.342 1.991 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265029 ZOXPRJXYRRCNMP-IJEWVQPXSA-N 444.341 1.761 30 10 IDEE Cn1cc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2269073561 LUOJAFIZKSRNDA-INIZCTEOSA-N 443.309 1.509 30 10 IDEE C[S@](=O)CCNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282509964 RZEMCGIESYRTEC-VWLOTQADSA-N 442.195 1.949 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2310482818 PQXGUNNXIZZNMC-KDQUWOQTSA-N 440.346 1.459 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322303979 RZWFJQHKFMZHCQ-ZIAGYGMSSA-N 437.321 1.984 30 10 IDEE Cc1ccc(S(=O)(=O)NN=C2C[C@H](N3C(=O)c4ccccc4C3=O)[C@H]3CO[C@@H]2O3)cc1 254700910 HNBAANRXJPVKLZ-WAOWUJCRSA-N 441.465 1.439 30 10 IDEE CC(=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1 254796861 BNXSGNDGMNHMFK-UHFFFAOYSA-N 428.453 1.289 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1=O 409515887 VHLMDXAAKVTXRJ-HNNXBMFYSA-N 441.435 1.780 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)s1 435436596 GHMVUWXYDGRHQB-UHFFFAOYSA-N 433.558 1.181 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2CCC(C#N)CC2)c1 441150619 SFOHUPWDQAZANF-UHFFFAOYSA-N 434.562 1.833 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 446521380 GTGSABNSAYXTKZ-UHFFFAOYSA-N 437.504 1.362 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 460565434 HZPQDZHQQVWDAK-HXUWFJFHSA-N 446.596 1.713 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 478847500 FWCJGVQHCIHKDB-RTBURBONSA-N 438.549 1.978 30 10 IDEE N#C[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 499388089 KJIJNNSEQULTCH-CFVMTHIKSA-N 440.319 1.166 30 10 IDEE CSc1nc(O)c(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1C#N 500966556 BJWCHCPABAUOLN-UHFFFAOYSA-N 430.511 1.598 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1C 517496881 SYTONAGAXBYQEH-GOSISDBHSA-N 425.554 1.733 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 519067178 XJRJWPDFHGSPCF-KSSFIOAISA-N 426.525 1.376 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 522388312 GORJDJFNNJFCSU-UHFFFAOYSA-N 431.583 1.422 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@H]3[C@@H]3CCCCC3=O)C2=O)cc1 544790188 DNXDWGGQLJZBQU-OTWHNJEPSA-N 438.484 1.750 30 10 IDEE COC(=O)CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544840780 BTWUAOYHQFJCLZ-UHFFFAOYSA-N 430.486 1.406 30 10 IDEE N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)n2)c1 611053652 CPHNEDYZFHVNCO-UHFFFAOYSA-N 433.515 1.162 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 611644433 FUIHRZZHBIQUQY-LPHOPBHVSA-N 449.916 1.531 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCCN(C(=O)OC)C2)C1=O 726393709 QQSPDYMIAOOFAC-ZBFHGGJFSA-N 429.502 1.857 30 10 IDEE C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 732402195 OENYUTBXOYPOEO-YOEHRIQHSA-N 443.481 1.936 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C)cc3C)c2=O)cn1 735068906 ITMBDUDBQZBMDB-UHFFFAOYSA-N 447.564 1.904 30 10 IDEE C#CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCS(=O)(=O)C1 744398765 PPVOVJQQPZXNLH-HNNXBMFYSA-N 434.499 1.779 30 10 IDEE C[C@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1cccc(C#N)c1 746749995 OOIRULBENBXPFW-QKKBWIMNSA-N 446.463 1.904 30 10 IDEE C#CCN(C(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1)[C@H]1CCS(=O)(=O)C1 747367334 CCDRSKQOYOXCPT-ZDUSSCGKSA-N 438.449 1.519 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)c2ccc(C#N)cc2)C1 760983721 PLGJXTRGPMBPEO-KRWDZBQOSA-N 431.470 1.990 30 10 IDEE Cn1ncc2c(N3CCN(C(=O)COC(=O)C4(c5ccc(C#N)cc5)CC4)CC3)ncnc21 781398144 TXNIMDFWNMHHAB-UHFFFAOYSA-N 445.483 1.159 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@H]2CCCO2)c1=O 781648845 LDURGGOQIODTHN-QGZVFWFLSA-N 440.569 1.702 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 782049602 VZVKXUMCESTDOK-ZBBYCGENSA-N 432.502 1.336 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1 802353167 QGUPLVRRYWVJSF-GOSISDBHSA-N 429.521 1.126 30 10 IDEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)c2)s1 806711457 HTCUFMJREFENNB-KRWDZBQOSA-N 441.509 1.941 30 10 IDEE C#CCN(CC#C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@H]1CCCO1 812296629 OWMCEINVIJAMBA-LJQANCHMSA-N 441.557 1.659 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 814829697 GLQHGEYMEZKYLK-UHFFFAOYSA-N 448.530 1.784 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)CC1 920606344 AJUSZLKMZPMBLX-ABTIHDLSSA-N 443.504 1.052 30 10 IDEE C=CCN(C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1125884024 NTCWRVHPSMWAQB-CABCVRRESA-N 438.550 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1131198982 FXXDKFHCMIKSTN-MRXNPFEDSA-N 448.545 1.773 30 10 IDEE O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1134620076 AUWDKGVAXCRAQC-OCAPTIKFSA-N 445.270 1.701 30 10 IDEE Cn1nc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Br)c1C(F)(F)F 1136672497 PBQPPALWYFUWRZ-FMIVXFBMSA-N 436.188 1.458 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1140660783 FMPIHEZUBMWSHY-HIFRSBDPSA-N 426.395 1.656 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN([C@H]3CCOC3)C2)c1 1141878178 PFQBBDLOIKABPM-FGLUDEAJSA-N 434.562 1.939 30 10 IDEE CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(CCC#N)CC1 1152067838 GZRRXWSFAWLCDU-KFVRLDSISA-N 436.603 1.756 30 10 IDEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3ccc(Br)s3)CC2)C1 1157544896 MERXMRWTMZBRTR-UHFFFAOYSA-N 449.348 1.653 30 10 IDEE N#Cc1cccc(C2(NC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CCOCC2)c1 1167197327 SRLDWFYYNMWEPV-UHFFFAOYSA-N 430.464 1.952 30 10 IDEE C#CC[C@H](CCOC)NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1169293288 RPVWWLXYENYPEG-QBPKDAKJSA-N 428.551 1.201 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC 1170815239 JLEQIPNLUBHSAY-HUUCEWRRSA-N 432.539 1.425 30 10 IDEE C=C(C)c1cccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1210292749 RPXBUMQTQNQDNJ-QGZVFWFLSA-N 427.548 1.386 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 1211896619 FBHQDNGZMCSUJW-UHFFFAOYSA-N 434.539 1.962 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CS1(=O)=O 1230717580 IQHJUSCSKNZAPE-NVXWUHKLSA-N 427.530 1.904 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CCOC 1286274030 HYHIBNKPSNEIHK-MRXNPFEDSA-N 447.609 1.583 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(CC)nn(C)c1OC 1286411215 PENPMTISXMCAAL-UHFFFAOYSA-N 442.527 1.942 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COC)C1 1286549248 WYCODIIQHKKECK-TWMKSMIVSA-N 427.571 1.342 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1286778758 ALHVYYZBQRFFBN-HOTGVXAUSA-N 443.504 1.641 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1 1286798286 FKCQYZGXLVNOCR-IBGZPJMESA-N 441.532 1.690 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286831871 FVSUPHVBULKKGI-LJQANCHMSA-N 448.637 1.836 30 10 IDEE N#C[C@@]12CN(C(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1289201344 MCIBZYPRSOULND-HJGXXXIXSA-N 427.526 1.335 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1291617465 AAVWFHSNMXQUBK-PNLZDCPESA-N 425.537 1.925 30 10 IDEE CCOC1CC(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)(N2CCOCC2)C1 1296917316 AHWZEPWARAHXDU-PDDLGQBUSA-N 447.584 1.282 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(C(N)=O)CCOCC1 1297355763 UNZHXXBHOKWSSL-MOPGFXCFSA-N 438.532 1.840 30 10 IDEE CCc1nn(Cc2ccccc2)c(CC)c1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1299113606 COOGYOGQVGNULW-UHFFFAOYSA-N 434.500 1.897 30 10 IDEE C#CC[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1)C(=O)OC 1299179316 XFHYOANBZCXZDZ-KBMIEXCESA-N 445.475 1.847 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1300308092 MAQMXNFKRUXLDR-MJGOQNOKSA-N 438.557 1.931 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1nnc2n1CCCCC2 1300472797 JMCNXGULBZVOAC-UHFFFAOYSA-N 438.561 1.900 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1300482791 HUWSTIWULIRVCP-LJQANCHMSA-N 435.513 1.409 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300489336 MHLXRIGTVZZMAY-RDJZCZTQSA-N 446.529 1.378 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1300609286 MBGHOLQHZLFSHS-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1300691053 VXUGRWTZSGTIQW-HXUWFJFHSA-N 447.543 1.067 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2nccc(C(F)F)n2)CC1 1300726306 MVAQZXQBZMDZCV-HNNXBMFYSA-N 445.474 1.524 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1301297950 WLUVBFLJXIPPJV-MRXNPFEDSA-N 441.504 1.754 30 10 IDEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1301317238 UDSLXQUIHPNUFQ-NRFANRHFSA-N 448.545 1.667 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1301475438 RFCYCOUKUMXRJR-GOSISDBHSA-N 442.520 1.595 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301505896 CCPRUKNLOIORBG-GOSISDBHSA-N 437.548 1.309 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301512136 MGZYVGANGFGVOD-XOMICKMZSA-N 437.504 1.729 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1301593913 XNRIIAWMWTXXQA-UHFFFAOYSA-N 438.472 1.763 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1301989240 JQVQIMDILMZTQF-ZOCZFRKYSA-N 431.493 1.899 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1302402358 SRUQAHQTBHNAKY-UHFFFAOYSA-N 448.487 1.743 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1303635508 HFPDTXUEBCDSQE-VBKZILBWSA-N 444.565 1.455 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2ccc(S(C)(=O)=O)s2)c(=O)c1C#N 1306833368 DHZUMQBLJUTYQH-UHFFFAOYSA-N 430.305 1.948 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2ccnc(-c3ccc(Br)cc3)n2)CC1 1307193597 IANXSRQYNODXOS-UHFFFAOYSA-N 436.335 1.496 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 1312626932 QOVMRVTZGGPPJO-UWHLTILDSA-N 442.516 1.264 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1315104412 SHHKECIASJZCNU-PKOBYXMFSA-N 441.488 1.534 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 1315425704 APNAZNDUDZHQMQ-FQEVSTJZSA-N 439.564 1.708 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1315722410 ZSLOPXRUNMHSSR-AJDGDAIWSA-N 439.520 1.671 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1315798050 HFKIPVFXGQNEID-ROUUACIJSA-N 439.520 1.089 30 10 IDEE NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)C1 1318818476 FCMUBTOKLQUGNN-HZSHHLKBSA-N 425.489 1.239 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1358890767 VOKHUZOIEONHKP-MAUKXSAKSA-N 429.546 1.870 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cnnn1C 1358973727 CVWGZSDYGPNSJI-UHFFFAOYSA-N 440.305 1.966 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCC(=O)N(C)C 1359019833 IIAOCVDJVYZICP-UHFFFAOYSA-N 437.342 1.990 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCC1 1359021064 AGQSTJOMTIFLSN-UHFFFAOYSA-N 446.529 1.727 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359037434 JICSVOIBAMOCGU-UHFFFAOYSA-N 430.516 1.421 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359059923 FIAUTMVVRPMCSG-LSDHHAIUSA-N 444.586 1.351 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359077815 LUAPDSFCIYVPPV-GUYCJALGSA-N 425.375 1.874 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1359254893 HCUQMPZWXKBBHI-QGZVFWFLSA-N 447.561 1.518 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359337577 WBVMEEWAJBMPCP-ZNMIVQPWSA-N 442.611 1.055 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1359468119 FQLBIVZRNJNURP-NSHDSACASA-N 444.359 1.523 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 1470098775 PAKSSFAXGACJDE-UHFFFAOYSA-N 434.543 1.507 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC4(CC3)C[C@H](O)CCO4)C2=O)cc1 1472016540 MQJVZORWLCDBRL-QZTJIDSGSA-N 426.473 1.296 30 10 IDEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)[C@H]1C[C@H]2CC[C@H]1C2 1473069296 NGYFBDVKTBLMQL-WBTNSWJXSA-N 430.505 1.164 30 10 IDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1504572669 NQBDEAVJAUPBQC-POAQFYNOSA-N 438.532 1.974 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1507616262 HTQLQOFWCZASNZ-DLBZAZTESA-N 435.525 1.461 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1507617695 YPTKFCCPDQGFNR-MJGOQNOKSA-N 431.562 1.874 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1nnc2n1CCCCC2 1507703669 ZOLPJBMNAZQZLB-UHFFFAOYSA-N 428.541 1.063 30 10 IDEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1507783164 ABXSGZBSSZPKDW-UHFFFAOYSA-N 427.391 1.986 30 10 IDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(=O)NC)C1 1507959334 OXOMSDGLAYATHV-KRWDZBQOSA-N 430.465 1.397 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1508085003 DXQQEZKEDOQGKW-HOCLYGCPSA-N 443.577 1.934 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1508095662 QDYPYTMPPSPZNX-HXUWFJFHSA-N 435.532 1.467 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCOCC1 1508968733 JRSPBTADTLFCPN-UHFFFAOYSA-N 425.493 1.185 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1516961885 DMJONOZCLJSRON-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCC(=O)N1 1519160851 WIRJBMCSIPXZLJ-QGZVFWFLSA-N 434.504 1.980 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(C4CCC4)n3CC(=O)NCC(F)F)CC2)c1 1521109799 DYEPHNOSHGOLOP-UHFFFAOYSA-N 430.463 1.520 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC2CC2)nc1 1538974038 QRSLLUPOVPEMFX-LSDHHAIUSA-N 432.550 1.578 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1539669129 LQKWZLXVFVHIEU-YLJYHZDGSA-N 441.598 1.829 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539733886 SOJYXTLQQIGFLP-PXNSSMCTSA-N 441.598 1.660 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CC[C@@H]3COCCO3)CC2)c1C#N 1543001412 PDRGJQNCFXFRBR-QGZVFWFLSA-N 428.541 1.447 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543492362 NQIXNSZQUIOYJM-HMWBCQRISA-N 427.509 1.129 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554308344 RYIARPWCEVLCDC-RMYFCYLKSA-N 445.524 1.007 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCS(C)(=O)=O 1555740989 HVYFOXMMFQIKKA-HOTGVXAUSA-N 425.555 1.567 30 10 IDEE C#CC[C@@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CCCN1C(=O)OC(C)(C)C 1557712481 BPPIIRAJABFFOA-VVBPWWLESA-N 437.537 1.876 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)C1 1558328682 DVZDPUSTVRGNRK-HNNXBMFYSA-N 428.352 1.283 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1)c1cc[nH]n1 1558595696 YDLIJGLJPBHUFB-QGZVFWFLSA-N 448.501 1.082 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)CN2CCN(CC)CC2)s1 1570410076 PZMQIOQRXYMTMV-UHFFFAOYSA-N 428.624 1.287 30 10 IDEE C[C@H]1CO[C@H](C)CN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1584189165 BDQUBIXPUSBRPJ-DLBZAZTESA-N 434.562 1.184 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc4c(C#N)c[nH]c4c3)ncnc1-2 1585375746 RJQJXTVJVANBIW-UHFFFAOYSA-N 439.277 1.694 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588049767 LERJSENXDQUPDH-MRXNPFEDSA-N 444.561 1.206 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1588050593 SWKPBOWKFMLDOD-SFHVURJKSA-N 432.550 1.122 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1588069716 SSUJJMIJRZOZIF-INIZCTEOSA-N 436.509 1.659 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1588139170 MWIHLHLRKDZZJU-GOSISDBHSA-N 426.542 1.529 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(C(F)(F)F)c2)CC1 1588864609 HZZKWCQPKDDVRX-UHFFFAOYSA-N 447.465 1.618 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CC(F)(F)CO2)CC1 1588913907 SYJKTFGQCNJQLB-QGZVFWFLSA-N 430.459 1.730 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1594732222 AAFYYYGMOLYYJG-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)CC1 1595530292 ZSMMOFWWRNKJRJ-UHFFFAOYSA-N 434.504 1.102 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 1595776695 DCJVVYYAFBSJSN-UHFFFAOYSA-N 448.545 1.944 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1617622337 CKNPLFDTXKAZRM-HSZRJFAPSA-N 437.548 1.596 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1)[C@@H]1CCOC1 1617780015 IDNDTJSECGSAHE-QGZVFWFLSA-N 436.472 1.863 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1618137885 OSJAIRBYBDVVEG-VZCXRCSSSA-N 439.520 1.673 30 10 IDEE CN(CCC(F)(F)F)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1618149087 DYSKILVERPBHON-JQIJEIRASA-N 436.398 1.650 30 10 IDEE N#C[C@]12CN(C(=O)c3nc(Br)ccc3Br)C[C@H]1CS(=O)(=O)C2 1618171612 FDJOMBKTPUHZGY-ISVAXAHUSA-N 449.124 1.617 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1618636906 YRDALFOLFQANON-UBZKEQBWSA-N 449.515 1.434 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3nc4ncc(Br)cn4n3)C2)nc1 1638905662 ACSNAVGQDXLPLO-ZDUSSCGKSA-N 427.266 1.870 30 10 IDEE Cc1cccc2nc(CCNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cn12 1639644648 SFBRRKAWYZIWNC-UHFFFAOYSA-N 425.514 1.820 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 1643372702 XQFOZKBZXARINN-HUUCEWRRSA-N 431.436 1.301 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1 1644587595 OGISMJDACVQWGB-GOSISDBHSA-N 426.477 1.747 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1(C)C 1645427903 ZQUCHVYEABWLRI-HNNXBMFYSA-N 436.534 1.487 30 10 IDEE C#CCN1CCN(C(=O)CN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)OC)CC1 1648237467 DXCOOSVHRRPSKY-KRWDZBQOSA-N 427.423 1.036 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccn(C)n1 1649539854 RVZHXJIRDYKSGB-OAHLLOKOSA-N 440.577 1.981 30 10 IDEE COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1=O 1665565798 GHZPWLLNOTZUGI-HNNXBMFYSA-N 448.467 1.034 30 10 IDEE CCOC(=O)c1c(NC(=O)NCC(C)(C)[C@@]2(O)CCCOC2)c(C#N)cn1CCOC 1670537113 AQBPRBBSCJFHHM-OAQYLSRUSA-N 436.509 1.872 30 10 IDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1673983436 DMYHMPMGICAKKG-CYBMUJFWSA-N 435.326 1.876 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)SC)CC1 1690122428 QPYYTAPXPXYOON-INIZCTEOSA-N 437.573 1.699 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1690124611 OWYMCDMJUPXROM-HXUWFJFHSA-N 426.540 1.808 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCOC2)CC1 1690132233 LXLANXNOXFOGEH-KRWDZBQOSA-N 428.562 1.451 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690288247 OLYXSHSXLKIZCK-ULQDDVLXSA-N 425.555 1.192 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690320255 OPASGVWVBHCCOM-QGZVFWFLSA-N 427.571 1.412 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1690997013 BMUMZIDOCVYNRR-CQSZACIVSA-N 431.518 1.889 30 10 IDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705553851 AEFYCHCUWJQCBM-UHFFFAOYSA-N 429.528 1.682 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705564787 QCXMLYIDGWUAPV-RTBURBONSA-N 442.589 1.841 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 1705634724 HFRZKKMNDRYFLY-FQEVSTJZSA-N 444.605 1.467 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705895230 YPYLSMQAMILBCK-CHWSQXEVSA-N 437.426 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705937530 WWIFPRIMFIRSCB-SFHVURJKSA-N 445.593 1.727 30 10 IDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705943906 NPFBVWGUSUQDMI-UHFFFAOYSA-N 441.605 1.968 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1706058417 ADWSWHYATVZMJF-HSZRJFAPSA-N 448.531 1.828 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@H](C)O1 1708234654 RIDAJABWBWQYSC-KBPBESRZSA-N 434.447 1.724 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722364381 ZICFYZOYPMASJK-UGKGYDQZSA-N 441.557 1.850 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1722384618 WSNVZNUETXOZEL-SFHVURJKSA-N 427.530 1.223 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN(CC)CCC(F)(F)F)CC1 1722438565 ZHGLFCHHKFEZQP-KRWDZBQOSA-N 428.503 1.812 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722602488 CQFZBTHERAOEHU-NRFANRHFSA-N 426.525 1.849 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1722701822 FUKFUTGWFNTYQE-HOTGVXAUSA-N 444.561 1.577 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722704318 QRBHREICSCLPDY-PGRDOPGGSA-N 432.569 1.297 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723602253 LOWZVBVEHQBKJV-VLGSPTGOSA-N 429.525 1.569 30 10 IDEE CC1(C)CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1724024919 PTUOMQSEKNJGAQ-VXPUYCOJSA-N 441.536 1.553 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1729338821 FZPNXKPXODOONU-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE Cn1nncc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1729607090 VVSXTBUTQDLPHT-CYBMUJFWSA-N 429.282 1.613 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1730302341 WUDGVTINJPNFKD-RBUKOAKNSA-N 427.505 1.802 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1730537426 OQDXFENOHKLCHB-UHFFFAOYSA-N 430.490 1.480 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(=C)C 1740671227 BJJWOTWQISBTLS-BZSNNMDCSA-N 437.566 1.052 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCNc2ccccn2)CC1 1740704964 YNIZONCCUOCTPC-UHFFFAOYSA-N 445.531 1.598 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1740731778 HKLOZUXLCGKUMX-MGPUTAFESA-N 431.518 1.195 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740861313 ITYRUAOLPDURLL-KRWDZBQOSA-N 426.569 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCCCC1 1740991727 CKQUPUYTPVWAAS-OAHLLOKOSA-N 430.596 1.550 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)CCOC1 1741722730 HGZJPWQBXURVSY-SFHVURJKSA-N 444.458 1.737 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccsc1 1741941994 ZGPVHTKVBROSDZ-PBHICJAKSA-N 449.606 1.369 30 10 IDEE CCOCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1747312756 VRZJEYWDNSRVIK-KRWDZBQOSA-N 433.534 1.894 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748671056 GDKFBZVLRPSFIT-GDBMZVCRSA-N 437.566 1.505 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1748830292 TZMBOIJPLGQAEV-QPPBQGQZSA-N 442.608 1.418 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1748843618 HJAJHJOXVVPPJD-UGKGYDQZSA-N 429.590 1.800 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1748868728 GHQMZLZSFNZGMX-QFIPXVFZSA-N 425.489 1.416 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)cc2C)CC1 1748994594 KRWRPEYISIZYPZ-UHFFFAOYSA-N 435.576 1.578 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C[C@H](C)O1 1749553351 PWIYHRMQDUVGBS-XWFZLUIHSA-N 427.505 1.862 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)OC)CC1 1749680313 INLXJJWMFAYZFG-UHFFFAOYSA-N 427.505 1.857 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1750076486 OCHFVTRNIPUGJR-YXGRLTDGSA-N 444.561 1.920 30 10 IDEE CC(C)(O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750530826 LXVLBPHRQCNNIK-SFHVURJKSA-N 425.537 1.926 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1752437798 LBBGSRSOCRKMBB-LZICOFPGSA-N 439.520 1.814 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cn(CCCCC)nc2C)CC1 1760260472 UAKHZFUMAIDVRU-HXUWFJFHSA-N 438.580 1.728 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCOCC2)C1 1760547983 VOOBUFXLPRVJSM-MUGJNUQGSA-N 435.569 1.504 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(C)(C)O)c2)CCOC1 1765923573 PTNOUWFPKPNXIN-CVDCTZTESA-N 441.532 1.935 30 10 IDEE CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1767535190 GISYNJLCSUGYMV-QGZVFWFLSA-N 439.520 1.648 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COc2ccccc2O1 1769837407 LRUVTUIMLWYFMY-QGZVFWFLSA-N 440.504 1.721 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nc(C)cs1 1770045409 ZSATYPDHFDXDNG-DOTOQJQBSA-N 431.566 1.992 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CCN1S(C)(=O)=O 1771500543 XEJSYXHGZSINGZ-QFBILLFUSA-N 442.545 1.632 30 10 IDEE COc1cccc(C#N)c1OCC(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 1851143051 LOXZOQDIXGSRGM-GOSISDBHSA-N 439.468 1.864 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C(=O)C2)C1 1853632679 MURJMIGGKUCJFG-CQSZACIVSA-N 427.473 1.228 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 1858332546 BXBGNCDMNNSACQ-AWEZNQCLSA-N 425.919 1.953 30 10 IDEE CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c(O)c1 1862627253 LDFXGMZXXANPTL-LJQANCHMSA-N 426.425 1.966 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CN(CCO)CCO 1870716455 LWMMVOUBKTWVAG-UHFFFAOYSA-N 435.908 1.492 30 10 IDEE O=S1(=O)CC[C@@H](N/N=C/c2cc(Br)c(O)c(Br)c2O)C1 1873470785 QTKNONHUHHXKJF-SAIRAEFTSA-N 428.102 1.733 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2006228230 MNNQEHDKFOPFMB-AVGNSLFASA-N 425.345 1.981 30 10 IDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nn1 2060785846 MEEDRVDLJMQGTQ-HKUYNNGSSA-N 439.520 1.617 30 10 IDEE Cn1cc(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2243389669 WNEXXBRZYHTFHX-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248402115 SFIXMBDKHHKGRN-GFCCVEGCSA-N 441.359 1.334 30 10 IDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2248403033 CLJWEUXCUDZKAI-CQSZACIVSA-N 440.371 1.891 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255530544 UHVIFGMTPGKJMR-ILXRZTDVSA-N 440.346 1.460 30 10 IDEE COC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CN(C(=O)OC(C)(C)C)C1 2255658874 KKBNDEQMFVTGBJ-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255694930 WBHXKRVJXFDRLB-CYBMUJFWSA-N 437.350 1.538 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)COC1 2256670800 JYVNWCHSAFHGGI-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256680494 XQHKZHQPJUAWNX-OAHLLOKOSA-N 434.346 1.774 30 10 IDEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267113717 XZNGUQCJBDYIEU-CYBMUJFWSA-N 449.361 1.490 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267882186 OWMKWCOPRGCHJQ-RYUDHWBXSA-N 442.247 1.447 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268624256 SJHBSNWKGDFOQP-ZBFHGGJFSA-N 447.341 1.937 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2318494514 QZXGAKZGEKGBCH-YDHLFZDLSA-N 432.330 1.837 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)c(OC)c1 2330795051 UWMLZKBMGMDOGD-UHFFFAOYSA-N 435.506 1.859 30 10 IDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ncnc3c2cnn3C)CC1 28178371 BHWHLGUZAVPMFL-CYBMUJFWSA-N 436.545 1.934 30 10 IDEE N#Cc1c(CCCNC(=O)Cn2cnc3ccccc3c2=O)nn(-c2ccc(F)cc2)c1N 31797124 VNGSOSWCOOPIJG-UHFFFAOYSA-N 445.458 1.924 30 10 IDEE COCCC/N=C(/Nc1cccc(C(=O)O)c1)N1CCN(CC(=O)N2CCCC2)CC1 46021911 OXMHWSCIXMYFRM-UHFFFAOYSA-N 431.537 1.429 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cn1 59830081 JLKGLDSQRUPTNR-ZVBGSRNCSA-N 442.505 1.813 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2nnc3ccccc3c2=O)cc1 109894132 ORIZDGMKZAMEBA-SFHVURJKSA-N 434.481 1.593 30 10 IDEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(c5ccc6c(c5)OCCO6)CC4=O)nc3c2)CC1 170178793 HYEWIVOTOBYJST-UHFFFAOYSA-N 446.511 1.803 30 10 IDEE COc1ccccc1CN1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@@H]21 254824679 JDLUBAPAJFFQFJ-DZGCQCFKSA-N 426.516 1.547 30 10 IDEE CN(C)c1cc(C#N)cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 432053745 QSKKVENLGUHAMZ-UHFFFAOYSA-N 443.485 1.679 30 10 IDEE COC(=O)CC1(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCS(=O)(=O)CC1 439379295 ZEFGMUDANXIXRB-UHFFFAOYSA-N 443.481 1.986 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cc1 478157606 PYGBFCLXNCZDQH-UHFFFAOYSA-N 448.501 1.405 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1C[C@@H]1CCCO1 478753021 CGOSVLAPEKELHD-INIZCTEOSA-N 443.544 1.820 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 502773071 IVEVDHJSAZWQTA-MRXNPFEDSA-N 428.514 1.900 30 10 IDEE Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)c1 503645055 VTPNILMFIBTDHV-UHFFFAOYSA-N 426.498 1.994 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 506211469 SIKUSXMRZDLJSK-JOCHJYFZSA-N 429.521 1.661 30 10 IDEE C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 507438830 AMXAZUWNZSFZFV-UHFFFAOYSA-N 447.542 1.859 30 10 IDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 508463322 GGHZMSSKWOBHNE-UHFFFAOYSA-N 442.549 1.900 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](O)(C(F)(F)F)C1 508504728 AJOIBGOGOXVJHV-MRXNPFEDSA-N 430.456 1.928 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 510274274 WWFJLYGPKVHMSR-UHFFFAOYSA-N 437.543 1.946 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)CC2)nc1 521626861 KIVGCYZCQRSDGS-QFIPXVFZSA-N 444.495 1.078 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ccc(Br)cc2)CC1 522318404 AWAFHPPHQAAIEB-UHFFFAOYSA-N 425.327 1.457 30 10 IDEE CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)[C@H]2C1 537243198 NVTDUTDWUGAYBX-MBDNFAEBSA-N 430.524 1.803 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC(F)(F)F)c3)CC2)cc1 543267536 CMUQPFRCXSRFIL-UHFFFAOYSA-N 441.435 1.854 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C 544831698 ITGQVXLETDFSJQ-UHFFFAOYSA-N 427.530 1.539 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN2CCOC[C@@H]2C1 549691520 INGYZLXQUUVXNI-INIZCTEOSA-N 431.566 1.335 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 566401979 XDRUOKBPBDGERA-UHFFFAOYSA-N 426.473 1.498 30 10 IDEE CCN(CC)CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 568542870 SBJTYMZZZXZOPF-IBGZPJMESA-N 436.578 1.168 30 10 IDEE COC(=O)CC1(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCS(=O)(=O)CC1 574506939 AZTLBLUDXNLTKC-HNNXBMFYSA-N 437.493 1.150 30 10 IDEE CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(N=C(C)C)[C@H]1CCS(=O)(=O)C1 583925428 PRIQIDLIHFJDAQ-HNNXBMFYSA-N 431.536 1.617 30 10 IDEE C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1)N1C(=O)c2ccccc2C1=O 586017489 BSPWGSLKDZZFNM-QAPCUYQASA-N 430.464 1.964 30 10 IDEE CN(C(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1)C1CCCCC1 586862470 XRTQHTNJFOQQEN-UHFFFAOYSA-N 443.523 1.249 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CC(N)=O 589157046 GEABBZMBTTUMIE-UHFFFAOYSA-N 435.427 1.286 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1C 589157337 UXPONNYGLQOYGP-UHFFFAOYSA-N 427.526 1.139 30 10 IDEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1C#N 589626359 WRYHSRJDRPHUBQ-UHFFFAOYSA-N 439.497 1.655 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603797528 GPZZEYLWXSOPOA-UHFFFAOYSA-N 446.488 1.897 30 10 IDEE CCn1nc2c(cc1=O)CN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)CC2 611430080 YAKDKNCQOGXUBB-SFHVURJKSA-N 426.546 1.092 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 613785056 STNLXAFIJCUFNZ-UHFFFAOYSA-N 431.539 1.409 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OC)CC1 670209192 XBVYZPZBAJGCSA-IBGZPJMESA-N 427.505 1.913 30 10 IDEE N#Cc1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)ccc1Cl 732986549 XOOBMAAAQUCHHV-UHFFFAOYSA-N 427.882 1.754 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)cn1 735068465 CEXIBJYRFVJLJD-QGZVFWFLSA-N 428.558 1.814 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(C[C@H]2CCCO2)C1=O 735226429 YTVSBVWODNZLJV-CRAIPNDOSA-N 448.545 1.594 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(F)cc1 741457934 UXCGNOHDPVNOCO-QGZVFWFLSA-N 437.541 1.351 30 10 IDEE N#Cc1ccc(OCCNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)cc1 742104124 HVXQMUIEPIAJJK-UHFFFAOYSA-N 430.305 1.838 30 10 IDEE C[C@H](CC(=O)N[C@H](C)c1nnc2n1CCCCC2)/N=C1/NS(=O)(=O)c2ccccc21 742517179 DCBMHFALLARPNO-ZIAGYGMSSA-N 430.534 1.699 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2cccnc2N2CCCCC2)C1 749792765 RHVFXJAUEYUYDE-SFHVURJKSA-N 432.569 1.182 30 10 IDEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 757209660 LYSWQQHKYNJBAG-RTWAWAEBSA-N 436.464 1.869 30 10 IDEE CC(Cn1cc(Br)ccc1=O)=NNC(=S)NCCCN1CCOCC1 761750161 WVYWEWNORNTHLG-UHFFFAOYSA-N 430.372 1.173 30 10 IDEE CCC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)C1 761850091 PMTXZEPQKHUPJR-MSOLQXFVSA-N 445.589 1.697 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 767880833 KLFHMRRDLLOMNT-DEOSSOPVSA-N 442.560 1.710 30 10 IDEE Cn1cc(N2CC[C@H](ON=C(N)c3ccc(CNC(=O)OC(C)(C)C)cc3)C2=O)cn1 769841817 JRXPZVDXWQHOFA-KRWDZBQOSA-N 428.493 1.887 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CCOC 772897319 BSSGZDCYPJUVAD-UHFFFAOYSA-N 448.614 1.631 30 10 IDEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)[C@H]1CCS(=O)(=O)C1 774261568 ANADEXFCHZBOIC-IPMKNSEASA-N 439.965 1.544 30 10 IDEE COc1cc(Br)c(F)cc1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 779892533 GTSWOPUZLGREJV-CCEZHUSRSA-N 448.270 1.402 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)n1 788878739 GBSCBAIZJSKKHA-UHFFFAOYSA-N 433.534 1.125 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790749335 VEKZNYAAMGZIKZ-AWEZNQCLSA-N 425.580 1.226 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccccc3)c2=O)cn1 794595621 GRJOCJJJCKYQMX-IBGZPJMESA-N 448.548 1.673 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-c3cnn(C)c3)s2)c1=O 800848984 PCGAXPXRJCPUSM-UHFFFAOYSA-N 434.546 1.877 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 809889979 QVDPRAFFRDRTOX-BTYIYWSLSA-N 432.525 1.489 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@@H]1CCOC1 814250447 PVDGANGXGIWEMP-ZDUSSCGKSA-N 448.495 1.280 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N(C)C)CC1 842185310 FHZCWNRGCYBBES-KRWDZBQOSA-N 434.562 1.611 30 10 IDEE COC1(OC)CCOC[C@@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1148245378 BUPZXLHNYFEYQU-KRWDZBQOSA-N 439.534 1.180 30 10 IDEE COc1c(N)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(Cl)c1Br 1157893364 IPOKJJJNWPANHS-VXJOIVPMSA-N 448.726 1.704 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1174641516 KGDXLNMHZZUXIG-AUSIDOKSSA-N 444.532 1.642 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCc2sc(S(N)(=O)=O)cc2C1 1174741991 ISBPBCMQTSDLPS-UHFFFAOYSA-N 442.526 1.450 30 10 IDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286385606 OIWBXLRWHKIPBY-MOPGFXCFSA-N 428.558 1.972 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccnc1 1286400495 ATFCULRRXIWXRK-UHFFFAOYSA-N 448.552 1.906 30 10 IDEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1286635027 HYKJZGHAJRNZTO-OXJNMPFZSA-N 439.944 1.510 30 10 IDEE C=CCn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286777854 NJMLCTFJYFLJIY-JPYJTQIMSA-N 446.596 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](COC)C1 1286778968 CEUPUJZQLRTOPY-INIZCTEOSA-N 437.447 1.700 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCOCC2)C1 1286813497 VZVICYXCPXZNKC-UXHICEINSA-N 429.569 1.642 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286821345 HZFZORVPJJCESW-KRWDZBQOSA-N 436.582 1.779 30 10 IDEE CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1288201281 CMLMFVOJQQUFMN-GOSISDBHSA-N 444.561 1.603 30 10 IDEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1288600013 WIZQZUAOGZQNST-AWEZNQCLSA-N 447.503 1.410 30 10 IDEE CS(=O)(=O)c1ccccc1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1288686922 JKVOSOCJKIJAQS-UHFFFAOYSA-N 435.527 1.255 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC(F)F)CCOC1 1296651317 OMBKIGYMNLJNIT-UZLBHIALSA-N 440.495 1.736 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(Br)cn4ncnc34)C2=O)cc1 1297335100 MHBRJHSVUKUHDF-MRXNPFEDSA-N 439.273 1.894 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 1299885294 DCPNYXJGCKRQLL-HOTGVXAUSA-N 434.562 1.800 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1300309555 HURAWIYHCMTCCP-WFASDCNBSA-N 438.579 1.191 30 10 IDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300401173 OYMJXTMARODEQM-LJQANCHMSA-N 444.561 1.384 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1300410702 PWNXUALQVKNLMW-MOPGFXCFSA-N 446.577 1.312 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc2n1CCCCC2 1300596910 ZAOZJZTVJILSKG-RXVVDRJESA-N 437.548 1.831 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1300698717 YVUUWNHFITUXRB-VQTJNVASSA-N 439.539 1.426 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)C(=O)NC)CC1 1300722954 OAVJFRIWKHLENZ-UHFFFAOYSA-N 437.548 1.387 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)c2ccccc2C1 1301479237 XMRKYVUCECHYQW-UHFFFAOYSA-N 439.564 1.955 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1301490866 GZIDRKNGQKCTQO-UHFFFAOYSA-N 447.543 1.985 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301514225 GYMAJCRZIPERSF-ZBFHGGJFSA-N 444.467 1.233 30 10 IDEE CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1301952072 GHSKUQUVEFPHPP-IKGGRYGDSA-N 425.603 1.605 30 10 IDEE CC(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1302758855 YVWTVLGWQLOLNM-YGCDDZCOSA-N 441.536 1.628 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1303556154 BIYQKULGMIYQPR-LBPRGKRZSA-N 437.871 1.851 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1305855925 JGBCHWRQBLDJEI-MRXNPFEDSA-N 445.520 1.754 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)C[C@@H](C)O1 1306929856 POQROAPMKNZOBZ-BETUJISGSA-N 433.456 1.448 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCNS(=O)(=O)c3ccccc3)CC2=O)cc1Cl 1358311730 ZCPYCPHFGVRBQA-OAHLLOKOSA-N 446.916 1.659 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358937839 JCMAIXPAZHTDMV-JOCHJYFZSA-N 440.935 1.942 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1359024252 IZZFSMQUDXQGRS-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(OC)c2)CC1 1359028601 XSGVSNDWYCNTCS-UHFFFAOYSA-N 426.521 1.237 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C(=O)NC)CC1 1359030774 FKBIBUIKTOWFHO-UHFFFAOYSA-N 448.369 1.563 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCOC[C@H]2OC)CC1 1359043254 NMUALQQACLZLGO-UYAOXDASSA-N 440.548 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](OCC)C(C)C)CC1 1359044868 QKVVCDLYXCDRBX-RTBURBONSA-N 444.580 1.646 30 10 IDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359136652 QRSXMEXSMFNYBG-GOSISDBHSA-N 433.484 1.540 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359276491 FABNWNSJIILQEB-OAQYLSRUSA-N 443.529 1.718 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCCOC2)C1 1359303974 GYPDOTNHWKNLBN-NRFANRHFSA-N 444.561 1.579 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)cc1 1359307571 OWOPHBJXNRWREH-GOSISDBHSA-N 426.521 1.857 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1359334199 WVIFAOMLBSGZFQ-LJQANCHMSA-N 441.561 1.940 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359341002 IQRYTKOKQWCCAO-UHFFFAOYSA-N 430.538 1.118 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1359736713 KGCCRSFLPBQLHM-MODMUFLJSA-N 441.536 1.552 30 10 IDEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1441773138 MRSKLMRGEZVVPP-QGZVFWFLSA-N 441.513 1.417 30 10 IDEE C=CCCC[C@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1444647882 XXZRVGOTVDHSQB-SFTDATJTSA-N 447.601 1.574 30 10 IDEE C#C[C@H](NC(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1)C1CCOCC1 1470865674 LYIVXEODGLPKRW-IBGZPJMESA-N 431.533 1.968 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1472594857 GJNAYSPJOFSHQE-FQEVSTJZSA-N 429.498 1.854 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@H]1O 1503880956 KBAAPMFBZCGDIC-HZPDHXFCSA-N 435.431 1.459 30 10 IDEE COC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)OC 1504578270 HPHUUJJWENKEEF-CHWSQXEVSA-N 425.287 1.426 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(S(C)(=O)=O)CC2)c1 1507551491 FGTDCAYXRGFZPY-UHFFFAOYSA-N 445.545 1.448 30 10 IDEE C#CCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507598722 HLONSQAALONMRD-URXFXBBRSA-N 444.624 1.948 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1507680029 VWJRROZBNAQYNW-GJZGRUSLSA-N 442.586 1.603 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507754320 BMNKHEMJLOQGHE-UHFFFAOYSA-N 425.624 1.849 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1507807480 NJLILHKDBXNPCD-NSHGMRRFSA-N 432.569 1.369 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1507808187 QKDXBSJALVGOGT-LQBOVUBWSA-N 427.553 1.823 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507968379 SCUZNLAMFUVODH-NRSPTQNISA-N 446.596 1.364 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1508076770 VPPCMFFNTWCBTN-HNNXBMFYSA-N 445.499 1.321 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 1508078533 CRYCGGPXUDBXRE-UHFFFAOYSA-N 435.488 1.684 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1508084413 NWDBXWNVNKDGNI-HSZRJFAPSA-N 436.491 1.803 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC=C(C)C)C1 1508125104 NVUZIQVYFGGQSF-ZWKOTPCHSA-N 439.582 1.749 30 10 IDEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCNS(C)(=O)=O 1509014935 YUFPGISWVNSBJW-UHFFFAOYSA-N 445.593 1.535 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)cc1C 1511010914 VVSFOMWHQJHUDD-HXUWFJFHSA-N 428.537 1.781 30 10 IDEE CCN(CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1515599340 PBGKFFPFQGVDCD-RDTXWAMCSA-N 438.536 1.494 30 10 IDEE CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1516745346 OBETWJCWGDKLHK-QGZVFWFLSA-N 428.541 1.449 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1517500489 PUUVOKMYFQFFDY-SFHVURJKSA-N 428.562 1.895 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1518959697 DRFAJAWYLOAYLO-XLIONFOSSA-N 433.534 1.228 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1519384462 ROXGVQILNXWEDS-GOSISDBHSA-N 426.521 1.831 30 10 IDEE COCCOCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519399540 JINOAOWLWJFGFB-IBGZPJMESA-N 441.536 1.428 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(C#N)c3)CC2)cc1 1522118536 FNXUERFFJULTDY-UHFFFAOYSA-N 433.511 1.943 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539204003 XMYZQACDMPEHMJ-GOSISDBHSA-N 447.536 1.425 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCN(CC)CC1 1539252167 ZQTNAIATASLOHU-FQEVSTJZSA-N 448.571 1.815 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnnn1C 1539266050 LOACEKYJYTVNFZ-UHFFFAOYSA-N 438.536 1.642 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1539526421 ONKGCMUFVCQAHL-SFHVURJKSA-N 444.605 1.510 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1539634286 AOLYVPZVATZXAJ-SIKLNZKXSA-N 440.548 1.540 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2)CC1 1539889928 DUPDBSSCIFDSHX-SJORKVTESA-N 441.623 1.767 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCCC2)CC1 1540861796 GWVBCBOMLCKBRM-UHFFFAOYSA-N 431.585 1.563 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1540874757 RECRXJFWSHPYPV-HUUCEWRRSA-N 432.550 1.433 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2)C1 1540904469 NIBCWNCGAREXFN-OALUTQOASA-N 432.546 1.961 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1540910361 GPCDHBDPQXXSAU-UHFFFAOYSA-N 435.575 1.594 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1547355925 CGDQHPBWBGLLOY-GOSISDBHSA-N 442.545 1.356 30 10 IDEE Cn1cnnc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1554351955 JQSNUUDPIOOLEJ-LBPRGKRZSA-N 429.282 1.613 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554697584 PYDXAGPFPMFNQK-NVSKLWTOSA-N 430.509 1.661 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1555715476 AQCZPFCDQCPFLO-SFHVURJKSA-N 426.477 1.511 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C 1556155035 COCBHQQCSHXWRT-DOTOQJQBSA-N 439.553 1.988 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1556687831 WZHQMHNIXLITCE-UXHICEINSA-N 449.573 1.458 30 10 IDEE CC(C)C#CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1566656763 YCGUBJICQVXVGG-KRWDZBQOSA-N 435.546 1.896 30 10 IDEE CCCN1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)c(OCC)c2)CC1 1567687008 WCWSRJNCNZVPLD-UHFFFAOYSA-N 440.504 1.390 30 10 IDEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)nn1 1584319278 TUZPXDOOTUHGSG-UHFFFAOYSA-N 433.534 1.967 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1588120703 RSZCNKLRVUMEJH-OAQYLSRUSA-N 442.571 1.962 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 1589134131 GCQJNBZSJYNTTG-HKUYNNGSSA-N 443.577 1.485 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N(C)C)CC1 1594023011 BTCFWYNKENZTFT-IBGZPJMESA-N 427.571 1.367 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1594733017 LKUAGBVLBTWZPM-QGZVFWFLSA-N 444.561 1.504 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1594992966 WMXXZQDXYJRVGT-HYBUGGRVSA-N 440.592 1.805 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1595715265 UNSSTPOFIBJCEA-OALUTQOASA-N 438.532 1.717 30 10 IDEE COCc1ccc([C@H]2COCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)o1 1596898685 UQZFHGWXEZQBPZ-QGZVFWFLSA-N 447.513 1.845 30 10 IDEE COc1cnc([C@@H]2CCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1O 1603337353 UIPKEBXYCWMMKH-AWEZNQCLSA-N 445.501 1.373 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](C2CC2)O1 1612916620 CUZFYWULENFBKJ-KSSFIOAISA-N 430.534 1.370 30 10 IDEE C#CCC1(O)CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 1620532807 VJPOVHFZOOAPGT-UHFFFAOYSA-N 449.573 1.121 30 10 IDEE CC(=O)N/C(=C/c1cccs1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624062029 IMOGJBICKZBSEJ-CPNJWEJPSA-N 444.538 1.630 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)n1 1627669705 ANECVVUTAXRVOP-OAHLLOKOSA-N 428.565 1.211 30 10 IDEE COc1cc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCC(N)=O 1630266074 QVSQXNPMKGEPPX-UHFFFAOYSA-N 445.516 1.826 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 1631963638 BLSKGVFFZREAIH-JOCHJYFZSA-N 439.541 1.961 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1633261756 MHZLVKHITMMUGZ-QFBILLFUSA-N 442.541 1.624 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)c1cc[nH]n1 1637012461 GBHVPFHWHGWHQM-KRWDZBQOSA-N 446.414 1.611 30 10 IDEE CS(=O)(=O)N1CC(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1639782884 PLPBOFSAEZUCAT-YUMQZZPRSA-N 430.317 1.507 30 10 IDEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1 1641505977 CJOILTXORURIQH-DZGCQCFKSA-N 432.468 1.710 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cn1C 1643305238 PSXLWVNBYRCJBD-INIZCTEOSA-N 429.424 1.688 30 10 IDEE C#CC1(F)CN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)C1 1643706520 QAYNQLXSESQOMS-UHFFFAOYSA-N 441.528 1.990 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1645997895 SCJFLYGAFGHPPA-KPZWWZAWSA-N 440.547 1.107 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)c1 1653484858 VGNXNEQCJHEKQY-UHFFFAOYSA-N 437.543 1.477 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3F)C2=O)cc1 1661361824 ACFNCARFLDVYHZ-CQSZACIVSA-N 430.417 1.606 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 1673398757 QSTRWWGFVGBAQB-LJQANCHMSA-N 441.575 1.926 30 10 IDEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682226320 GWNFYLGVUOSVKA-NHCUHLMSSA-N 439.560 1.944 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1689991204 YBQQOYBVEHCXQP-MSOLQXFVSA-N 432.550 1.004 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1689998874 ZMMMAULHUVYESQ-UHFFFAOYSA-N 438.479 1.649 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1CC(=O)N1CCOCC1 1690093887 NFNABUFCKGVJBO-HXUWFJFHSA-N 425.533 1.765 30 10 IDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1690155751 NSXGWOHCANQFKT-QGZVFWFLSA-N 444.948 1.957 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690169678 KITMMHTUGIYUOQ-HXUWFJFHSA-N 427.534 1.454 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690675680 BRXCPACXDWJCAX-GOSISDBHSA-N 440.548 1.963 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1690684956 SHDXOCBCTFQPRT-CEXWTWQISA-N 434.585 1.697 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693516013 MHMXBNFCCUMFGL-MLSMBGFSSA-N 444.442 1.969 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1693850309 ARVLEZVPVXQKLO-AYAKEVCGSA-N 433.472 1.568 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1696999407 FFRBDFXSGSQQLE-UHFFFAOYSA-N 434.504 1.572 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnn1 1705490867 SHOXDYOEMLCAPK-MRXNPFEDSA-N 431.504 1.815 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(N)(=O)=O)cc1 1705500059 FKOKJKJNNFFTNK-MRXNPFEDSA-N 441.561 1.488 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705566065 LRQWDGYISKMEIR-CABCVRRESA-N 432.493 1.081 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCS(=O)(=O)CC1 1705593778 IKPQIJRJDGUXOC-UHFFFAOYSA-N 440.525 1.962 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1705876477 YWPRXJRPUUYUAE-QGZVFWFLSA-N 445.593 1.919 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1cnn(C)c1 1705909201 PYOZPNRQYXJIPB-IEZWGBDMSA-N 429.525 1.379 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1706069668 FYIFPCXPRIOJHI-PBHICJAKSA-N 432.912 1.873 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1706677026 WQYKIRVOBJXAFE-APOCOGJHSA-N 430.509 1.445 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1709829852 DZLDZQSQSJHYQQ-JKSUJKDBSA-N 446.577 1.991 30 10 IDEE CCOCCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@@H]1CC 1710836673 HDKLOFDPYBKPDI-KRWDZBQOSA-N 443.552 1.866 30 10 IDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C(=O)OC(C)(C)C 1711207930 HTIHYCFYQZOIQT-KRWDZBQOSA-N 439.520 1.995 30 10 IDEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCNC(=O)C(C)(C)C)cn1 1711248798 KHLNDGYTNJGHSE-UHFFFAOYSA-N 449.519 1.376 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1722287604 QWUAFNMBJMWFOB-MRXNPFEDSA-N 449.602 1.790 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722358364 AVNHJBQOLHWVDK-WMZOPIPTSA-N 430.530 1.617 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1722382635 IZJOMQBBDKPZHU-RTBURBONSA-N 441.557 1.683 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCC)CC1 1722438613 VAWGNRGBWZDWLR-UHFFFAOYSA-N 431.566 1.030 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CC(C)(C)C2)CC1 1722440815 KWMWBCLMBNDQLB-UHFFFAOYSA-N 426.565 1.916 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722448145 NPDXFIDNRFRGLG-IAGOWNOFSA-N 446.552 1.715 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1722449328 ULRLFTWJTAUFGA-HOTGVXAUSA-N 434.541 1.619 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)CC1 1722504710 OROWFJIVNKRTFA-WIYYLYMNSA-N 432.569 1.150 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCOCC1 1722512852 NBYRVPGQFIMCFG-UHFFFAOYSA-N 430.509 1.690 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722700747 SKFLEFGXYJISJA-MRXNPFEDSA-N 431.566 1.289 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 1722701571 VFCLGNZNXNBGSI-UHFFFAOYSA-N 440.548 1.649 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1722865216 FZCNYZPBGMDWRJ-HNNXBMFYSA-N 426.477 1.519 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1723780535 SHCHZKSBRJCMNA-YESZJQIVSA-N 446.581 1.321 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@H](OCCOC)C3)n2Cc2ccc(C#N)o2)CCOC1 1728798917 SZXSWLXPYRBPTH-UWJYYQICSA-N 431.493 1.685 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C#N)cc1 1729742712 HLWQNSNBJPCVGG-UHFFFAOYSA-N 425.518 1.706 30 10 IDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1730684610 VKEVKEXKDGTUSD-UHFFFAOYSA-N 433.534 1.229 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(SC)CCOCC1 1730871807 BJEUTIHPOPWOFJ-CVEARBPZSA-N 425.555 1.643 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740533357 REMMTLWPHIALIT-ILXRZTDVSA-N 442.586 1.507 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740594265 GSPUFXZKVUUTLZ-UHFFFAOYSA-N 427.553 1.542 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc2c(cc1OC)C[C@H](C)O2)[C@H]1CCS(=O)(=O)C1 1740625601 OOVJBVNUWYTOEO-YJBOKZPZSA-N 444.557 1.848 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1740652523 CHLWDCAXCLHJMM-DEOSSOPVSA-N 443.511 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC=C)CC1 1740703983 HWZBJQBDARSNTA-UHFFFAOYSA-N 440.935 1.867 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1740962736 MXBXKYZRHYRFPT-INIZCTEOSA-N 435.532 1.744 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1S(=O)(=O)N(C)C 1741123556 FSPPUUJHIGPBNP-OAHLLOKOSA-N 447.565 1.311 30 10 IDEE CC(C)c1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741360213 GEFCCJXEMINABK-UFVMTTLYSA-N 427.553 1.993 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1741693076 FJQJANGJHWPSEL-UHFFFAOYSA-N 437.426 1.456 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 1744691872 AKFUKWOHQVSKDW-IBGZPJMESA-N 437.596 1.460 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1748752391 WFGKRQIQRIPBBJ-SQNIBIBYSA-N 437.566 1.172 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748859491 UFMBJAITAMLOOQ-NQIIRXRSSA-N 449.511 1.358 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@H]1C 1748949726 AALJSXIWZSTATO-SCLBCKFNSA-N 438.326 1.662 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1748951019 RJFABNWKLADRLU-OAQYLSRUSA-N 431.541 1.411 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(SCC)c2)CC1 1748994843 UCEIDDLMUAXHHA-UHFFFAOYSA-N 439.589 1.711 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccco2)CC1 1749018820 GCMXOFRTAOIKHE-VGOFRKELSA-N 427.505 1.596 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749135360 DXNKWPDYFSVNIS-GJYPPUQNSA-N 437.566 1.005 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749402106 JNLDFRBFWBHUHW-HOTGVXAUSA-N 445.611 1.007 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@@H]1C 1749466883 AZXUIAVTKNCWBX-INIZCTEOSA-N 447.609 1.890 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749655283 GWAIGBVDBZGJPF-MOPGFXCFSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1749677434 ZGAFWACFVMBIJR-UHFFFAOYSA-N 429.569 1.697 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CCOC)C(=O)C1 1749729514 MENMFIFRXJMZEU-UHFFFAOYSA-N 447.561 1.149 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1749730740 OKDMHBCITNBFCH-OAHLLOKOSA-N 442.545 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749736690 NDCLTIWFIVGJLF-FUHWJXTLSA-N 435.550 1.105 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@H]1C 1749873362 FSVCOLCJPKFRSG-VGOFRKELSA-N 442.589 1.842 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCN1CCCO 1750645060 FUGQKGLACJFKTD-HXUWFJFHSA-N 438.580 1.842 30 10 IDEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)o1 1751487283 HTVBIZLSOZMJNX-LJQANCHMSA-N 433.534 1.916 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1752362391 RICKNTKTUUCHRS-VAMXVVNJSA-N 432.550 1.639 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC1CC1 1760122519 NBGVAROYKXSYAB-AWEZNQCLSA-N 435.575 1.552 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760190278 ZHTTWVSSYJXXHM-RTBURBONSA-N 444.557 1.774 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC(C)C 1760197327 SWRSOGJZPSBAJZ-UHFFFAOYSA-N 425.489 1.568 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCc1ccco1 1760198633 GFXZCJWFSWRTMO-UHFFFAOYSA-N 433.468 1.945 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1760238016 FNSGQWLHFQPXPW-UHFFFAOYSA-N 447.630 1.901 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760369928 AYVQCGCKDNVMKS-UHFFFAOYSA-N 439.907 1.496 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1F 1760515886 HONOMVOBVZCBOB-KBPBESRZSA-N 438.529 1.527 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)C1 1761132485 BCVVCZODYMYFLC-XLIONFOSSA-N 439.564 1.874 30 10 IDEE CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cn1 1766295452 DXQSHVGDQJEZQK-UZLBHIALSA-N 448.524 1.854 30 10 IDEE CCO[C@@]1(c2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1767424310 GTHRTILSVZQDKA-APOCOGJHSA-N 428.493 1.223 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1767869131 IREGAXIOSKOSEY-QGZVFWFLSA-N 446.533 1.145 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1768302451 ILKVPGAIWBHJDX-PBHICJAKSA-N 436.513 1.462 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768320677 JAIOFFDYRULVKE-HKBQPEDESA-N 437.529 1.952 30 10 IDEE CO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770286130 CVKPQGCSMJPZCI-VEGAHXMMSA-N 436.516 1.929 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1772564689 SCLODPLLCHYXPB-PKOBYXMFSA-N 431.562 1.963 30 10 IDEE Cc1ncn(CC(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(=O)c1C 1852110840 ACJNAESJFCKZSE-FQEVSTJZSA-N 426.473 1.055 30 10 IDEE CN1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CCC1=O 1852166784 HYQUOBSJTMCXRT-FQEVSTJZSA-N 440.525 1.139 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)O[C@@H]1c1cccc(OC)c1 1853274376 MJBFHSMBIRQVHM-WOJBJXKFSA-N 427.478 1.855 30 10 IDEE Cc1nn(C)c(C)c1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856347843 UBCWSOOIJPESIJ-INIZCTEOSA-N 426.546 1.529 30 10 IDEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3cc(Cl)ccc3Cl)C(=O)C2)C1 1856850317 NDWDASFGUOHTCW-ZDUSSCGKSA-N 445.328 1.205 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1861520963 UWYKPEDBEWOINL-APWZRJJASA-N 425.485 1.493 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1870144083 NHUQXELWUICGDG-UHFFFAOYSA-N 446.423 1.781 30 10 IDEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595391 AQEWHZBMQQNOEW-UHFFFAOYSA-N 436.520 1.336 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1O 1874336058 CJVICDLOBHAXCD-SLSPDHCBSA-N 447.517 1.864 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1=O 1874340791 UNYSVYQYKCJRHP-DGURAOSJSA-N 448.505 1.973 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(NC(C)=O)c3)CC2)CC1 1889512867 JFZHESHDMGSJPD-UHFFFAOYSA-N 426.561 1.907 30 10 IDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1890996414 TZGLQYSOBJBKFF-KRWDZBQOSA-N 431.562 1.585 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1985785040 UUBJECBAOHWDAG-HUUCEWRRSA-N 428.530 1.965 30 10 IDEE C=C(Br)CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCN(C)CC1 2014109734 JKDWAKJPURUIIO-UHFFFAOYSA-N 426.377 1.804 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060625952 QGNDDPDNSWSOEZ-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)(C(N)=O)C1 2103032853 WMACQKAJCRDKIU-UHFFFAOYSA-N 445.369 1.798 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626950 MCLRYJRKPZOPEM-GHMZBOCLSA-N 430.236 1.381 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255633203 XPZDRZWVDYWCJK-GZBFAFLISA-N 432.330 1.694 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255649893 MYIRFUUJALDHQH-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267113321 RVYVZOZQEJLBDC-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE Cc1nn(C)c(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2267148169 ZNTQGZGXLNPRFC-QZTJIDSGSA-N 436.365 1.888 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(Cc2ccccc2)CC1 2267280411 OZADCORFOQCTBZ-UHFFFAOYSA-N 439.369 1.756 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267503943 LKZXFSLXFPWMOV-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)n1 2267535803 BSEQGWUOBJYOSH-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267597489 QTQHTONYDFGRFR-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2340994857 NBAXSOJGAVLCQA-DZKIICNBSA-N 444.341 1.904 30 10 IDEE CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 14038902 AKZLVJCZKWNKHV-UHFFFAOYSA-N 435.531 1.563 30 10 IDEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)c1OC 20423983 BYKXEYSWKISCBX-ZVBGSRNCSA-N 444.521 1.718 30 10 IDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4cccc5ccccc45)[nH]3)nc2n(C)c1=O 104452134 PKRUYCYIWDTRQJ-UFFVCSGVSA-N 447.484 1.829 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 109935800 GSZZBXYGPQPVCS-GXTWGEPZSA-N 426.420 1.809 30 10 IDEE COC(=O)c1cc(I)cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 462113832 XVKYNXSSHFRHQF-MRVPVSSYSA-N 425.186 1.741 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(CO)nnc3C2)n(Cc2ccc(F)cc2)c1C 471047841 MNSVSCBGQAWZKV-UHFFFAOYSA-N 437.479 1.702 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2C[C@H]2CCCO2)cc1 505698878 CZECNUIYCNRQBZ-GOSISDBHSA-N 448.548 1.825 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 508505456 NNPUIXRMYGPHOB-QGZVFWFLSA-N 428.518 1.637 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@@H]2CCCO2)c1=O 512721409 VDXQIQUNRHYEBV-SFHVURJKSA-N 434.521 1.691 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 514305672 CWOQLPCZWHOTNY-UHFFFAOYSA-N 435.480 1.400 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(I)c2)CC1 522852187 KGOBMWJHXLVSIT-UHFFFAOYSA-N 428.274 1.743 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 523180996 QLBKSZDBQPWONI-UHFFFAOYSA-N 439.581 1.750 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccccc1 527028253 QNHMHGAIFXNMFO-UHFFFAOYSA-N 435.553 1.763 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 539373874 GNTVWQDMPSRRFT-QFIPXVFZSA-N 447.518 1.623 30 10 IDEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 542268991 YAARROKEJANJMO-UHFFFAOYSA-N 444.469 1.760 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 570208852 FWYOPTBQFGAFOZ-UHFFFAOYSA-N 432.477 1.333 30 10 IDEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 578486741 AVEKMOLTOASTON-UHFFFAOYSA-N 430.528 1.853 30 10 IDEE COc1ccc(CN2CC[C@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)c(OC)c1 588137641 SSBOJBWYAQOKGU-IBGZPJMESA-N 447.488 1.935 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1-c1ccc(F)cc1 611492419 ISJJVNWZEVQLTM-UHFFFAOYSA-N 442.403 1.334 30 10 IDEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 729331807 PTVWJBMBXONXBG-QGZVFWFLSA-N 426.560 1.288 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)CCN1C1CC1 732705935 JIKUVFMTBKAXDZ-HNNXBMFYSA-N 443.305 1.772 30 10 IDEE CCc1c(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)cnc2c1c(=O)n(C)c(=O)n2C 754022577 WIUCAANQDXAILQ-OAHLLOKOSA-N 437.456 1.206 30 10 IDEE CCOC(=O)c1cc(Br)cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 756965642 FJUVMTSSNMPVBR-OAHLLOKOSA-N 442.335 1.987 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 758053490 IAVHUYLWXMRHAH-UHFFFAOYSA-N 427.869 1.977 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCCCC2=O)cc1)c1cc[nH]n1 772144975 FCMQEDGYZQYBSD-UHFFFAOYSA-N 427.461 1.527 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)cn1 772305109 XOXWBWXPJNCJIG-UHFFFAOYSA-N 444.520 1.343 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCO1 773560021 QFBASLBMQNNGDZ-DLBZAZTESA-N 445.463 1.902 30 10 IDEE COC(=O)C1=C(COC(=O)[C@@H](O)c2ccc(C#N)cc2)N(C)C(=O)N[C@@H]1c1ccccc1 780204449 HYLUYJKFYTVQDA-UXHICEINSA-N 435.436 1.958 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccccc3C)c2=O)cn1 794583641 BQSKRKNRDZHMEO-GOSISDBHSA-N 448.548 1.923 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccccc3C#N)c2=O)cn1 794608186 JCIFYSSXFLJUGJ-QGZVFWFLSA-N 445.504 1.003 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796611102 ABMSJLZQDGGXPV-SJLPKXTDSA-N 429.502 1.485 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 807710992 NVMSVCZYSFIOMI-NRFANRHFSA-N 434.493 1.213 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cnn(C)n2)C1=O 807932051 OCFQUEHVOCNWGD-MRXNPFEDSA-N 449.968 1.668 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 809893726 SSBAGWCPUCFAHT-NVXWUHKLSA-N 434.541 1.830 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 812189458 ANVFUICKZPGEIF-MSOLQXFVSA-N 448.568 1.683 30 10 IDEE C[C@@H](OC(=O)c1cscc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 814611699 YPKGNMYHOXQLFG-CYBMUJFWSA-N 449.510 1.825 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3c[nH]nc3C#N)CC2)c1 1131483379 ARADCHWBXOPMNS-UHFFFAOYSA-N 444.517 1.150 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCCNc1ncccc1C#N 1136423954 DOCQDMUWXSZVGL-BEAPCOKYSA-N 435.406 1.467 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc(Br)cc3C#N)CC2)C[C@H](C)O1 1162126010 FEIAVYKNXFRDDO-STQMWFEESA-N 444.355 1.192 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)cc1S(=O)(=O)NCC#N 1179739440 LSSCOIIFVANDTA-CVEARBPZSA-N 434.518 1.631 30 10 IDEE C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1194505561 QKTOBQFUFXHVGH-NRFANRHFSA-N 437.562 1.825 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCOCCS(C)(=O)=O 1286296786 SBQSBWSDQWIEKL-CQSZACIVSA-N 426.489 1.666 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1286377152 SXABNHMRRZWISG-SFHVURJKSA-N 441.536 1.997 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1286385722 ZKAKPLPWTLESRM-GOSISDBHSA-N 436.497 1.788 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286394091 UGMIOJWZQYAZTR-LJQANCHMSA-N 430.578 1.761 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(OC)cc2F)CC1 1286471026 GEZHGPBEBJURPX-QGZVFWFLSA-N 431.512 1.953 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(NC(=O)OC)c2)CC1 1286477249 UAMHDKJXJXYKGD-UHFFFAOYSA-N 432.488 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)O)CC1 1286491878 AZDCMJZCOGHKCE-LJQANCHMSA-N 439.516 1.527 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1286602072 SUJZFMLKJBXABC-SFHVURJKSA-N 432.569 1.992 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286683180 LEJQGQXUIAAUGX-TXPKVOOTSA-N 427.571 1.629 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286692860 IMVNIZPGRBOMGG-YESZJQIVSA-N 426.587 1.011 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286783523 UFQYCJQPGSNAAU-MRXNPFEDSA-N 443.552 1.185 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286790984 RCSNMKOYTWPMEE-GOSISDBHSA-N 426.521 1.573 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCNS(C)(=O)=O)C1 1286803677 FYFMWGZSMAQVNM-AWEZNQCLSA-N 425.942 1.929 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1286807321 BETILIIYYGYBBQ-OALUTQOASA-N 438.532 1.369 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287136019 GCNSRORRWKGSLB-UHFFFAOYSA-N 448.535 1.044 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1288089148 RQCRLZJRSUZSNF-OAQYLSRUSA-N 427.509 1.230 30 10 IDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)c(C#N)cn1 1295369672 AEUPTTUKVGSJET-UHFFFAOYSA-N 429.502 1.967 30 10 IDEE C#CCOc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1298076329 SKQCKPVGRAKEFJ-UHFFFAOYSA-N 441.553 1.630 30 10 IDEE C[C@H](O)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)OCc1ccccc1 1298363807 RJRCSXUXBWWCSB-JXFKEZNVSA-N 444.509 1.987 30 10 IDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1300292214 WMCGBRPNYXHXQQ-OAHLLOKOSA-N 437.518 1.122 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN(C)S(=O)(=O)CC 1300460355 TZFIIKSCNMZXCH-UHFFFAOYSA-N 441.561 1.872 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1 1300574628 DRPMWDWFZHVSOO-UHFFFAOYSA-N 437.529 1.098 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1300580778 ILMCAMQRBSARBZ-OALUTQOASA-N 435.519 1.991 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)C1 1300872738 GXCPLNPHGUFVPO-YJBOKZPZSA-N 425.493 1.185 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301019320 SYLQSCWMOMHICV-JKSUJKDBSA-N 447.989 1.759 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1301151515 NIMJEBVDSYOZKF-DLBZAZTESA-N 441.598 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301578317 XBLVYNIYNKKTBY-MSOLQXFVSA-N 429.546 1.793 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301809271 ORZPHCVBHXPUDR-AVRDEDQJSA-N 446.552 1.495 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1301977844 RAVFZKFCLNOCQF-VGSWGCGISA-N 428.537 1.577 30 10 IDEE CCc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306185189 RPVRRKAKMKYWTK-ISLYRVAYSA-N 429.525 1.062 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OCCOC)c(Br)c2)C1=O 1309443528 BJFXMABOLNLXNM-HNNXBMFYSA-N 447.351 1.882 30 10 IDEE COc1cc(OC)c(C[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OC)c1 1312721811 PHHXBACMTDYMHO-CKNLXJGOSA-N 437.518 1.223 30 10 IDEE CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314453942 UGUJFJYHFNZYSC-GOSISDBHSA-N 438.536 1.639 30 10 IDEE CO[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315155488 HKMFESBNYWJGIZ-MRXNPFEDSA-N 447.503 1.554 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1358874225 UWFQTAPLFBDIDW-UZLBHIALSA-N 426.583 1.990 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1358949170 UNRYLOFGJKQZKI-ZDUSSCGKSA-N 447.508 1.410 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1358961362 XJIQIWCITDHWNI-DYESRHJHSA-N 445.545 1.081 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(C)C 1358988969 KCPQTQRHIFRRLN-UHFFFAOYSA-N 431.504 1.252 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1359010672 WBVPKEKQNJBUTJ-SFHVURJKSA-N 439.582 1.277 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Cl)ccc2OC)CC1 1359034750 BSJSHMLPDJXSCZ-KRWDZBQOSA-N 428.924 1.695 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1359064646 XQEZCDIFJAKPOJ-VWKPWSFCSA-N 445.545 1.720 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1359070359 LCWHBGXJBIIYHY-WMLDXEAASA-N 431.509 1.648 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCCS(C)(=O)=O 1359089801 PFCIBJISNJWCEF-HOTGVXAUSA-N 427.571 1.268 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2OCC[C@H]2C)CC1 1359179080 LIMGDXXPWGJRFZ-NXHRZFHOSA-N 439.582 1.438 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1359230821 GZVTYVSUTCCQTI-ZDUSSCGKSA-N 430.538 1.652 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2(O)CCOCC2)CCOC1 1360336138 NUJYMJCBFSYKEC-QFIPXVFZSA-N 433.553 1.990 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1435160504 SXUWZXKFGAEBFW-HNNXBMFYSA-N 434.497 1.268 30 10 IDEE C[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@H](O)CN1C(=O)OCc1ccccc1 1440762739 OPGSVLXSUHCMLS-RDPSFJRHSA-N 449.511 1.764 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455568468 ILGJMAVJSMROQB-HNNXBMFYSA-N 449.554 1.378 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1)c1cc[nH]n1 1456454573 GPHQYNPWENDMRZ-KRWDZBQOSA-N 430.461 1.893 30 10 IDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(Br)c1OC 1462996008 CIWODAYOWJAUIO-ZBEGNZNMSA-N 429.292 1.477 30 10 IDEE C=C(CN(C)C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1466272212 QUXUPFHNFLXNMP-UHFFFAOYSA-N 436.397 1.851 30 10 IDEE CCOC(=O)C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1 1469083012 KEZGWXYJKLBMJD-INIZCTEOSA-N 430.486 1.321 30 10 IDEE N#Cc1ccccc1OCC(=O)N1CCC[C@H](n2nncc2I)C1 1471494356 KBGJJSGCRYDFIF-ZDUSSCGKSA-N 437.241 1.997 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1476309381 RYSSLTDUSOAFMH-OAHLLOKOSA-N 426.539 1.222 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1478686232 SYLRUKIEDYQALO-LJQANCHMSA-N 433.464 1.905 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1479047764 IJXCJPGTKXHHPJ-YADHBBJMSA-N 434.544 1.932 30 10 IDEE CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1502407562 HUAWAZIZTPNGSD-LJQANCHMSA-N 449.515 1.764 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1503551055 BZFCDIQECRLJJK-LJQANCHMSA-N 438.532 1.928 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CCO1 1503783052 OGIZBBSKAZUSEQ-IEBWSBKVSA-N 440.504 1.107 30 10 IDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1507585927 QVKDJVATRKBJOU-UHFFFAOYSA-N 448.593 1.574 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507626743 BOTJWDVBSASESK-GDBMZVCRSA-N 432.502 1.335 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)COC 1507647642 FNNHVMKVFDNAIA-UHFFFAOYSA-N 428.562 1.984 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1507658797 OTYAQTMLTJUTJU-UHFFFAOYSA-N 436.907 1.501 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1507954983 TVBZMZQHZPAJRB-QGZVFWFLSA-N 439.582 1.727 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098351 OOAKNSADLZQBEA-FGSXEWAUSA-N 449.552 1.005 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 1508167142 HZSQFYUFVQQOGU-IBGZPJMESA-N 434.591 1.891 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCC(=O)N(C)C)o1 1510817003 FEWPOFIBEDMOEN-UHFFFAOYSA-N 434.504 1.918 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)C[C@H]1O 1517689277 LIZOVQILQNEDPD-QZTJIDSGSA-N 425.489 1.482 30 10 IDEE COCCN(C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1519099503 OIHJQEYCXBUULC-ZZEZOPTASA-N 426.477 1.563 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C(=O)N1c1cnn(C)c1 1531488324 ADUMDSGLGRZXOT-UVBSCNOISA-N 440.891 1.608 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1537761849 PIBHHDYCUUSQLF-UHFFFAOYSA-N 449.554 1.645 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1539216490 SUFVAHULXSEQNO-KRWDZBQOSA-N 444.586 1.918 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nnc(CC)s2)CC1 1539482305 SFSMOSKFWBMCGL-INIZCTEOSA-N 443.577 1.948 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1539803762 NATMLHONOZWWDT-CHWSQXEVSA-N 439.916 1.845 30 10 IDEE C=C(Cl)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1539823508 DTYZJBZOEVLXQC-FQEVSTJZSA-N 438.960 1.083 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1540879830 PIMSGDTWYHIVQV-MGPUTAFESA-N 448.524 1.943 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CO)CC1 1540899874 CWXMMJWNYBWPFW-UHFFFAOYSA-N 425.942 1.803 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1545689301 ACRMUCQWZIEDSC-QAPCUYQASA-N 439.520 1.073 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1552666754 DQCAQLSLZSTTBP-XMMPIXPASA-N 449.559 1.990 30 10 IDEE C#CCN(CC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C 1556788478 XHCODPZUUFYVAR-UHFFFAOYSA-N 438.550 1.099 30 10 IDEE COc1c(F)cc(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1S(N)(=O)=O 1570831689 SZQWJEOYBXDSPI-KRWDZBQOSA-N 446.504 1.633 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H](N1CCOCC1)C(F)(F)F 1588263636 YSPAOEHCYACDCU-INIZCTEOSA-N 444.502 1.919 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1595556099 NUUXYXTUYWSCAH-KRWDZBQOSA-N 446.983 1.981 30 10 IDEE C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1607271882 MTWQMQZQAQYSHM-FQEVSTJZSA-N 430.461 1.654 30 10 IDEE COC(=O)c1ccc(N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c(C#N)n1 1611997138 DLIGRNZVACOTHY-UHFFFAOYSA-N 428.470 1.106 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1613896973 RCJIGPCEKHJHKF-YRNRMSPPSA-N 443.552 1.637 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCOCCS(C)(=O)=O 1617906655 GXEPOOUFLFUSSP-GOSISDBHSA-N 433.534 1.699 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccc(C)o1 1618846945 DBCNLQITDZMQPW-UHFFFAOYSA-N 444.517 1.816 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1 1619317412 FSBYWNHZRMZVNE-JHVJFLLYSA-N 431.468 1.848 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncccc1N(C)C 1620110901 FJYPRSBXDUXEAF-BXWFABGCSA-N 427.509 1.240 30 10 IDEE CCCCCN(C(=O)CN1CCO[C@](C)(C#N)C1)c1c(O)nc(=O)n(CCCC)c1N 1620623143 MOUDIWXBXIGXSC-OAQYLSRUSA-N 434.541 1.469 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c1 1622827970 VBWZLRSUOJNMFZ-UHFFFAOYSA-N 428.507 1.696 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC#Cc3ccccc3)CS(=O)(=O)[C@@H]2C1 1629163506 BWNNNRTUNUNPAV-GUDVDZBRSA-N 432.542 1.825 30 10 IDEE C=CCC[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1636822880 VNPZFFRSWUIHEN-JKSUJKDBSA-N 425.526 1.906 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2COC3(CCOCC3)O2)C1 1637459788 DYXKNTZLWIEFBW-INIZCTEOSA-N 436.306 1.795 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ncccc2C1 1638086646 HVFSWYQSZRNYGQ-QGZVFWFLSA-N 428.514 1.956 30 10 IDEE CC(C)(C)N1C[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1641853381 FSPSQFBVPMTZIE-KRWDZBQOSA-N 446.573 1.722 30 10 IDEE COc1cc(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1O 1642308323 KEKIEVPEMVMSMV-UHFFFAOYSA-N 447.513 1.587 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1654371009 DAIUBPAIMJKZFE-JTQLQIEISA-N 440.316 1.162 30 10 IDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1659737814 YUTSEZVCUGAIST-KNKQGSTJSA-N 432.496 1.187 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1660553130 RZGFBWUXIITXBL-VQIMIIECSA-N 440.443 1.728 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 1668777239 ZHHYRJCOULWDTQ-IBGZPJMESA-N 433.578 1.232 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)C1=O 1680531489 IHFYKNOXRMJBQT-OAHLLOKOSA-N 428.536 1.354 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1685266453 AWZCCYOCJGPURN-ZWKOTPCHSA-N 448.564 1.716 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1689901328 JEKXHXZWHRNLJL-UHFFFAOYSA-N 448.527 1.936 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 1689910439 GZZLLRSTVBCCBE-UHFFFAOYSA-N 425.537 1.886 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1cnnn1C 1690096450 TXLVNFAAXBLHHM-UHFFFAOYSA-N 430.310 1.970 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ncn(-c2ccccc2)n1 1690106330 RHXOWGOYHAJNHQ-UHFFFAOYSA-N 434.504 1.116 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(O)(CC)CC)CC1 1690411711 SGKJHPBALQUBLJ-KRWDZBQOSA-N 441.598 1.565 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)CCC)CC1 1690724854 XHRGVXCDWYKOHE-INIZCTEOSA-N 439.582 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690727215 XHDYXEYUMCHBCN-MOPGFXCFSA-N 447.561 1.249 30 10 IDEE CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1696602806 HKWDEWCOMSLDIA-WOJBJXKFSA-N 444.540 1.805 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1705477193 KHBNIBGFOICABF-AUSJPIAWSA-N 436.509 1.565 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705534831 STJCDFPXMBWULI-PXNSSMCTSA-N 425.489 1.545 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705571762 HKIDCKHUDQBYJB-UONOGXRCSA-N 436.563 1.219 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1705573357 FIBIXUUFWDFTPI-HNNXBMFYSA-N 435.937 1.694 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1705580180 FHAGDXDGZGAWQI-YADHBBJMSA-N 446.555 1.593 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC)cc1 1705600677 IGQVUXSKGDQAIQ-UHFFFAOYSA-N 432.528 1.661 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1705612160 AWNGXLZHFOGBLX-KRWDZBQOSA-N 443.529 1.645 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1705647857 NLIFCLRDBPQPCY-IEGUWTFLSA-N 442.564 1.543 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2nccnc2C)CC1 1705650728 XCLSSWQXHCQNEU-UHFFFAOYSA-N 444.543 1.571 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705901568 PLGIEVDLLMXQPU-DLBZAZTESA-N 428.493 1.310 30 10 IDEE CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706064541 VSYIXTBQOFEJEP-SFHVURJKSA-N 441.511 1.699 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1706075227 KYISIDDDFUJRGL-QAPCUYQASA-N 439.520 1.031 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C 1711072898 MQNKUIDVFCFGHF-SFHVURJKSA-N 435.532 1.937 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)c1 1711703125 HUBPAYHKTPLFIV-RXVVDRJESA-N 429.477 1.497 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1712317215 DVVQTHONISDKIF-SUMWQHHRSA-N 439.314 1.552 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2noc(CC)n2)CC1 1722434006 HXTMXJHBDLHEBL-UHFFFAOYSA-N 426.912 1.937 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](COC)OC)CC1 1722443060 AZRXMNJZDJATDY-HXUWFJFHSA-N 441.532 1.581 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722536980 JQRVVEVBBSXOIP-ZWKOTPCHSA-N 439.582 1.125 30 10 IDEE COc1ccc(COCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1730173202 BVFMDEABTVEVHB-UWJYYQICSA-N 428.468 1.897 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1730761566 YRDGZXCAGYILRA-UWJYYQICSA-N 427.509 1.830 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)C)c1 1740562164 IRWWBCQDAGDLJU-KRWDZBQOSA-N 437.548 1.520 30 10 IDEE C#CCCCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740596451 FZRITLAEROGLTL-YLJYHZDGSA-N 439.582 1.250 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1740612717 YNWJFBDIFIAJQS-MRCUWXFGSA-N 430.472 1.112 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1740622534 ZEWKLVQLOTXFTG-HOTGVXAUSA-N 434.493 1.126 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740623570 WUPKDKOSFKXILA-QGZVFWFLSA-N 433.578 1.608 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OCCOC)cc2)CC1 1740705329 FOGXBZIGYHSUPN-UHFFFAOYSA-N 425.533 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC)CC1 1740705392 FZFTVTMBQNPQSV-UHFFFAOYSA-N 444.561 1.049 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C2CC2)CC1 1740838929 BRCWRXSNTQKWPO-ROUUACIJSA-N 439.582 1.438 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1740900668 WBSNBHHEJMOHKI-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](OC)C1 1740952570 IFXFHXMGKGGZKS-AWEZNQCLSA-N 437.342 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740988762 OSFRHUWXBLPDSN-IAGOWNOFSA-N 443.485 1.532 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1741130574 AGRAHLUQBAJAHB-HZPDHXFCSA-N 433.534 1.860 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1747964434 ANZLYKOZBOCKKJ-UHFFFAOYSA-N 432.410 1.828 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1748791116 OXHOYRUWSIKOJD-SQNIBIBYSA-N 439.582 1.132 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1748810521 XLAFQXMAGPUFGC-MRXNPFEDSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748819769 TVUKPQDTQYQQIK-RTBURBONSA-N 427.530 1.236 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1748819961 VSFFBYUAEXKJRM-LJQANCHMSA-N 434.537 1.797 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1748825219 RVCCJVDGTOTNHS-UHFFFAOYSA-N 438.507 1.513 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1748913927 CBBNTVJXFPHAET-UHFFFAOYSA-N 432.546 1.740 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCn2ccnc2C)CC1 1749008573 DCRDFHYBGRQWLL-UHFFFAOYSA-N 435.536 1.240 30 10 IDEE COC1CCN(C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1749185583 DAOWZHHDTGMJDT-FQEVSTJZSA-N 439.564 1.882 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCS1(=O)=O 1749475738 NAUBOMJFNXMKNG-QGZVFWFLSA-N 428.522 1.510 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O 1749587364 QOUGRSYABQCAOK-UHFFFAOYSA-N 445.549 1.542 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1749600101 QCPHPXGQCDRGNH-ROUUACIJSA-N 432.546 1.823 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1749652084 HMWMQVAHOKBFDK-JKSUJKDBSA-N 444.511 1.822 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCCN2CCCO)c1 1750380873 ACVOJCQZJQLIRX-WOJBJXKFSA-N 437.548 1.365 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)CCO1 1750386410 GQXAJJPJOGTXBA-GOSISDBHSA-N 432.525 1.076 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1751099232 XNUZISGKQVCAIH-FSTVOOFJSA-N 447.584 1.854 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760262777 AEAWFGHGJGKUQP-KRWDZBQOSA-N 448.618 1.214 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(OC)CCOC2)CC1 1760272101 YXPCDLMIUXMBJB-QFIPXVFZSA-N 443.573 1.702 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760677509 IYKGLOMREQCKBW-HXUWFJFHSA-N 437.548 1.501 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760843919 MJNIBJKGHYKXQZ-SFHVURJKSA-N 436.520 1.193 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCc2cccnc21 1761500981 DGACUOHSDQOWDK-UAGQMJEPSA-N 445.549 1.132 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)C1 1765671801 GPBZPMSBFYSYJC-KRWDZBQOSA-N 430.534 1.250 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@@H]1CCOC1 1767864361 RACFTVMMTOZADB-INIZCTEOSA-N 442.520 1.793 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1769111484 AGNBJDBLSJKTIS-UHFFFAOYSA-N 430.534 1.070 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1769367088 WBKKUTJOTDGHHG-YJBOKZPZSA-N 429.550 1.039 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@@H]1C 1769473770 FHRVFLZVUWLGIY-AOMKIAJQSA-N 439.520 1.160 30 10 IDEE CO[C@@]1(Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)CCOC1 1769783584 CIOVWLKHIXPCLW-JOCHJYFZSA-N 425.537 1.974 30 10 IDEE COCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1770159726 PNIUTFIBTBOAME-OAHLLOKOSA-N 425.493 1.451 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CC1 1770349829 IHLPHCMYZRNRFC-UHFFFAOYSA-N 446.577 1.887 30 10 IDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)ON2C(=O)c3ccccc3C2=O)cc1OC 1772791066 KKIBTDXSAQUZSS-JOCHJYFZSA-N 426.425 1.896 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)C[C@@H](C)O1 1772791438 UKOQDIQZCPYJCJ-OKILXGFUSA-N 444.465 1.853 30 10 IDEE C=CCC[C@H](C)CNC(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1850555213 KROCKBPRIJCGGB-HNNXBMFYSA-N 432.546 1.682 30 10 IDEE O=C(CSCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCC#Cc1cccnc1 1852938537 YMQONSMOTTXLPH-UHFFFAOYSA-N 426.517 1.770 30 10 IDEE C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CC[C@H](N2CCNC(=O)C2)C1 1852964441 MPZNFBHBHZEAKL-PXNSSMCTSA-N 442.523 1.824 30 10 IDEE CC(C)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854641413 DVWWZKILAQTSIC-VQIMIIECSA-N 432.546 1.569 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2cccc(OCc3ccccc3)c2)CCN1S(=O)(=O)CC#N 1854721948 CAWAVBBTZGFLKG-MRXNPFEDSA-N 427.482 1.792 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](NC(=O)c4cccc(C#N)c4)C3)ccc21 1858329415 IJFMDPKEFBJONU-LJQANCHMSA-N 438.509 1.660 30 10 IDEE N#Cc1cccc(C(=O)Nc2nc(N(CCO)CCO)nn2-c2cccc(Cl)c2)c1 1869954662 AUSKSWSODCHYJB-UHFFFAOYSA-N 426.864 1.836 30 10 IDEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870630544 UJMXVOYOFGSNKY-UHFFFAOYSA-N 439.560 1.999 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874338518 SSONQPKQUKGBHC-RTYWOJFRSA-N 430.490 1.160 30 10 IDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226766 PLHJDIVWSOCIGJ-UHFFFAOYSA-N 439.564 1.819 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCc3cnc[nH]3)ncnc21 1875230264 QZLBTAOFLLQHHA-UHFFFAOYSA-N 427.509 1.730 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc(I)n[nH]1 1985073297 PIJJNZVQZZNTKH-SNVBAGLBSA-N 430.246 1.748 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2009980223 SIKAOLWBVFORTI-QKKBWIMNSA-N 439.509 1.874 30 10 IDEE CO[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2124536526 RDNQJEXFKKAFKF-OAQYLSRUSA-N 448.329 1.740 30 10 IDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2248404058 JUJCEMCIVDAKJK-AWEZNQCLSA-N 440.371 1.891 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542119 NJHGABCYAQEPJE-OKILXGFUSA-N 434.346 1.752 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255624624 ZMRVAJDLZASXCI-UONOGXRCSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2255633183 XJKLLTFGRYSVGT-LRTDBIEQSA-N 432.330 1.838 30 10 IDEE C[C@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255644860 CTHMYIAEHDBOMX-WDEREUQCSA-N 447.288 1.971 30 10 IDEE Cc1c(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834286 MFDQTHOKAYBRMA-ZIAGYGMSSA-N 434.346 1.671 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2257591479 YDJPBLFFIQNNDP-CYBMUJFWSA-N 438.334 1.057 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267119902 BZWRGMSRCWDJOB-ZIAGYGMSSA-N 446.357 1.657 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 2267181857 YLHJPAGFDLGBIU-JOCHJYFZSA-N 446.357 1.945 30 10 IDEE CC1(C)OB(c2cncc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)c2)OC1(C)C 2267269543 FQMPIDGDBUCSRY-UHFFFAOYSA-N 441.259 1.912 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@H]1NC(=O)C(F)(F)F 2267271817 URPPMXNDUXXWGZ-GXTWGEPZSA-N 443.275 1.853 30 10 IDEE Cn1ncc(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)c1B1OC(C)(C)C(C)(C)O1 2267507655 RXJHLHOMSLVSHW-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267513836 RLSKWERYUGJPEK-GASCZTMLSA-N 446.357 1.943 30 10 IDEE CCc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 2296463504 CLOHYRZZMCLCQW-QFIPXVFZSA-N 428.510 1.794 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2303953997 AIGDPUFAKFPTGC-UHFFFAOYSA-N 426.319 1.025 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2311709942 CPFRIXZBHXRAFQ-BZUAXINKSA-N 438.330 1.118 30 10 IDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 9984130 WQDGJGQKFQJOTP-IBGZPJMESA-N 428.533 1.903 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 27560283 LKIYTNDSMORKSC-UHFFFAOYSA-N 448.571 1.883 30 10 IDEE C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 28645362 RQJOXMRJADDWJY-SEIPJRMCSA-N 428.420 1.115 30 10 IDEE O=C(O)c1cccc(N/C(=N/C[C@@H]2CCCO2)N2CCN(CC(=O)N3CCCC3)CC2)c1 46022166 SSRVXMCPAOULQM-FQEVSTJZSA-N 443.548 1.572 30 10 IDEE CCc1ccc(S(=O)(=O)/N=C2/C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1 104596408 CLOHYRZZMCLCQW-LAGVDGIJSA-N 428.510 1.794 30 10 IDEE COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254843131 ACJVMERVPWWROC-JLJPHGGASA-N 440.543 1.480 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1C[C@H]1CCOC1 461533969 IMKBOCVMYGAPEB-ZWKOTPCHSA-N 445.531 1.677 30 10 IDEE CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 478846165 XZKNGXNFQOUJHA-CQSZACIVSA-N 440.550 1.676 30 10 IDEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 494636903 MYSOOISMBXSXCG-UHFFFAOYSA-N 431.522 1.853 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 499056321 OSFJVMJOMGSDEJ-INIZCTEOSA-N 432.521 1.955 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 502814562 RXCIJALQKQLRDU-SFHVURJKSA-N 429.926 1.996 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CC[C@H](C(=O)OC)C1 508957378 ZDVVXBIDCYKXOZ-KRWDZBQOSA-N 445.545 1.915 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(F)cc1 514646579 GRHYZCSQNAKBHL-UHFFFAOYSA-N 429.498 1.365 30 10 IDEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 516940903 TYNOIXAXPLPHJP-INIZCTEOSA-N 429.498 1.674 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)n1 517005072 DYLWZDSYHXWMND-INIZCTEOSA-N 425.510 1.365 30 10 IDEE N#Cc1cccc(N2C(=O)C(SCc3ccco3)=C(N3CCN(CCO)CC3)C2=O)c1 526693820 XJDIVXZQWHSVMJ-UHFFFAOYSA-N 438.509 1.779 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CC2)n1 546210378 RGOCQRWDZZLNIM-UHFFFAOYSA-N 432.528 1.628 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 549653971 GQPUWXZLJKJPDH-RHSMWYFYSA-N 436.586 1.589 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 574221741 JRKJCYQQJFUIGF-HXUWFJFHSA-N 435.532 1.420 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1S(=O)(=O)NCC#N 609029298 AWFYEIPGKHPDKU-CQSZACIVSA-N 433.515 1.497 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 609038099 DYYKMXXKWMFMHJ-QGZVFWFLSA-N 448.548 1.202 30 10 IDEE CCOC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 610145780 HBXUTSPAMOBFNY-UHFFFAOYSA-N 434.518 1.308 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 610358233 YYWBEVWFIZVLFD-OAHLLOKOSA-N 448.504 1.077 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c1OC 614903157 ZFJNQNTVZSPWNR-INIZCTEOSA-N 442.537 1.834 30 10 IDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730138905 ONIVBPRIDAYINC-QGZVFWFLSA-N 435.550 1.291 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 732152761 AIPUASBAQNSJPM-XCHVRBFASA-N 437.283 1.989 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732651949 KOKZPKVRTSBAQW-FQEVSTJZSA-N 444.557 1.489 30 10 IDEE C[C@]1(c2ccc(Br)s2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732672831 NURJTGFUTDHZNG-YVEFUNNKSA-N 438.351 1.907 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)c(OC)c1 734292420 NDLANVXYDAROPZ-HNNXBMFYSA-N 443.481 1.742 30 10 IDEE COCCOc1cccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742550795 JTAQKBBHHBDTTQ-OAHLLOKOSA-N 431.514 1.845 30 10 IDEE O=C(NCC#CC(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1)OCC1c2ccccc2-c2ccccc21 757487768 WHPVCRSWURASBW-DLBZAZTESA-N 448.475 1.823 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cn1 763712181 NBSCMNUPYLACPQ-UHFFFAOYSA-N 434.437 1.698 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 767488647 FUWWKPGOKDUGTH-KMFGOTIKSA-N 428.551 1.831 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CCOCC 772905604 ZTNXLLONGHZZAA-UHFFFAOYSA-N 446.598 1.407 30 10 IDEE COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc1 782247864 IKSANQCBSWYEQC-UHFFFAOYSA-N 435.436 1.617 30 10 IDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1F 784896786 NSWGDFWAWOHYDN-UHFFFAOYSA-N 437.474 1.871 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n1 788850187 YGCGCYRFMLNPFC-QFIPXVFZSA-N 425.533 1.575 30 10 IDEE N#Cc1cccnc1N1CCN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CC1 798229246 KVYHPRAJTSHFHS-UHFFFAOYSA-N 448.527 1.792 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)cc1 799279232 UZAYNKSBABTEKC-INIZCTEOSA-N 428.514 1.843 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 802582157 DTWHIYJPQMPMFQ-IBGZPJMESA-N 426.521 1.801 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)/C=C\c2ccccc2C#N)CC3)CC1 803415269 MGWKEQCNWLYAHB-HPFMTEOYSA-N 432.528 1.534 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 917767612 AWGBFNRNXBVXHB-INIZCTEOSA-N 428.558 1.768 30 10 IDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1144921880 DVXQVDNWFRNYIL-OAHLLOKOSA-N 432.464 1.997 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)s1 1159195502 STEQCUQLZBPKBC-SFHVURJKSA-N 438.575 1.509 30 10 IDEE C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159491409 XICPWQZPAJWQBC-VIFPVBQESA-N 437.225 1.573 30 10 IDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)Cc1nnc(-c2cccc(C#N)c2)o1 1194654869 HAJIYGHYITVSOF-UHFFFAOYSA-N 426.502 1.824 30 10 IDEE CC(C)(CCS(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)S(C)(=O)=O 1211685705 FRZHFILVUVLEPO-UHFFFAOYSA-N 433.983 1.877 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1n[nH]c(C)c1C(=O)OC 1213711574 IWNHTCJBOUQGIA-UHFFFAOYSA-N 440.522 1.528 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC[C@](C)(C#N)C3)CC2)cc1 1252759564 GEZZSMFZDORDJL-HXUWFJFHSA-N 435.550 1.092 30 10 IDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1278104019 SFVDOLIYZOJJLT-QGZVFWFLSA-N 431.436 1.905 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286339441 WAHCNYMUJGJTNM-JOCHJYFZSA-N 434.504 1.824 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286351173 BJPJKWVYTRUVSM-HXUWFJFHSA-N 438.532 1.414 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1286361229 MHNKZZQRNASPQP-JKSUJKDBSA-N 446.577 1.534 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCN(CC)CC1 1286377551 ZLCPCDIMYRLKEP-FQEVSTJZSA-N 434.592 1.860 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286386248 XDQWXNWGEUTHOU-QUCCMNQESA-N 446.573 1.986 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286389289 HJKGEOHTSTZKEU-SJORKVTESA-N 431.493 1.043 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286390018 VFKCKLANMBMUDC-RBUKOAKNSA-N 441.557 1.521 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1286390102 XBKPKMHCGGOXMO-KRWDZBQOSA-N 444.561 1.303 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1286435768 IUQWGMZBRSYGQN-GOSISDBHSA-N 425.537 1.742 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1286457121 GVWIORBOUGCNCC-INIZCTEOSA-N 439.582 1.181 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1287271817 WNPXJHYBOMBOKZ-FVGNFYTDSA-N 441.536 1.409 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCN1CCC[C@@H]1CO 1288126101 NEKBIUPAWXQBSD-GCJKJVERSA-N 431.585 1.783 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NC(C)C)cs1 1290432774 OUWUZYKIAVNKGB-KRWDZBQOSA-N 428.566 1.335 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H](CC#N)c2ccccc2)CC3)CC1 1297662270 IJWDRTWXSILAGQ-AZUAARDMSA-N 434.544 1.647 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300356400 BVFLJRRYPYQXIB-IRXDYDNUSA-N 438.536 1.430 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300506197 PAFWEHVQSFASAO-WOJBJXKFSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CCN1CCN(C)C(C)(C)C1 1300545317 NXOXABRKUWUZRF-UHFFFAOYSA-N 434.588 1.998 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1300556678 LNEVGGMHSZCQQA-IAGOWNOFSA-N 447.536 1.958 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1300603381 PYTLUNXXJWYTRO-VXKWHMMOSA-N 449.621 1.598 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N[C@@H](C)CC)CC1 1300688381 DJPWBUDAECYAGO-KRWDZBQOSA-N 439.520 1.913 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)[C@H](C)CC)CC1 1300710791 LLOKEMNAURGWJE-AEFFLSMTSA-N 432.569 1.443 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOC)CC1 1300719158 QBMSETGZHWRWFO-UHFFFAOYSA-N 439.516 1.719 30 10 IDEE C=CC1(CC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CN(C(=O)OC(C)(C)C)C1 1300849230 UNZDDMMTUVQNNV-OAHLLOKOSA-N 427.509 1.632 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301036158 BGTOJTFIDYCOHQ-CVEARBPZSA-N 435.960 1.115 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1301091822 OATSNFDOBWKUDR-MRXNPFEDSA-N 442.486 1.820 30 10 IDEE CCCC(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1306513052 SSOBXBHIASXYQG-KRWDZBQOSA-N 425.493 1.627 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1315072067 LGTVVHUJAGIAAP-IAGOWNOFSA-N 430.534 1.513 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)F)CC1 1316532961 CIOWITYKDWBXCY-INIZCTEOSA-N 445.474 1.362 30 10 IDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1342595496 KXBWGNDFOHLMNT-IAGOWNOFSA-N 444.488 1.858 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1358890142 LQIGEUJGQBCHSE-APWZRJJASA-N 447.561 1.434 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(CO)CC1 1358922452 FRROKZAPEAGCBJ-UHFFFAOYSA-N 431.562 1.818 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1359009484 QYDORQLJXTZOEM-KRWDZBQOSA-N 430.530 1.849 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2scnc2C)CC1 1359031117 QRULKTJOZFHZAC-NRFANRHFSA-N 430.578 1.693 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCOCC2)CC1 1359033304 XOGQBAKTWBZAJX-UHFFFAOYSA-N 441.532 1.259 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](OCC)C(C)C)CC1 1359044866 QKVVCDLYXCDRBX-OALUTQOASA-N 444.580 1.646 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2)CC1 1359165453 PBIYMUAVSILZRH-HZPDHXFCSA-N 427.596 1.521 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359183559 NWKYQLCLCAUKON-KBPBESRZSA-N 433.600 1.114 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359301667 HDZIQRIZGPVTSA-GOSISDBHSA-N 441.511 1.351 30 10 IDEE CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359425539 FOWYJIXIILHQDD-ZCXUNETKSA-N 429.525 1.207 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359630926 JICSBIMEYHTOHQ-RTBURBONSA-N 435.532 1.694 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1360289181 UARVWKXFCQOXQQ-UHFFFAOYSA-N 431.504 1.458 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(=O)nc1O 1442761010 CJGYBGIGGNLKPS-KRWDZBQOSA-N 431.880 1.054 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)s1 1453976584 LJPREAWYFPIHBC-HNNXBMFYSA-N 448.526 1.664 30 10 IDEE CC1CCC(NS(=O)(=O)CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1 1458005708 YDVOMZFHHHOZRX-UHFFFAOYSA-N 437.518 1.389 30 10 IDEE C#CCNC(=O)C1CCN(c2ncnc3c2ncn3C2CN(C(=O)OC(C)(C)C)C2)CC1 1458336209 CNNJCOTZTOCMHN-UHFFFAOYSA-N 439.520 1.584 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1463747747 OKYCRMOSQPJMKB-UHFFFAOYSA-N 426.491 1.046 30 10 IDEE C#CCN(C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1471093828 JPFNFINIAKEITH-MHORFTMASA-N 439.578 1.996 30 10 IDEE C[C@H](CC(=O)NC[C@@H]1CCCN1CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1471755166 CYNKCXNRAUQSLT-OLZOCXBDSA-N 432.468 1.647 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2sccc2C#N)C1=O 1473581468 ACJXMOVZMPJUFA-HNNXBMFYSA-N 449.514 1.544 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(Cc3nc[nH]n3)CC2)cc1 1473604238 HMPUMSDLHKCVQL-UHFFFAOYSA-N 448.531 1.849 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 1475667413 JASYKOGRWZWREW-GFCCVEGCSA-N 435.365 1.229 30 10 IDEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)ccc1C 1504093173 BJGICIWPAXBODE-DLBZAZTESA-N 431.518 1.274 30 10 IDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1504808290 LLTFQPGKDRNWNM-XUTLUUPISA-N 435.488 1.816 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(C(C)(C)C)s1 1504887822 FBJLJZLACVZZNA-CYBMUJFWSA-N 432.554 1.793 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1504915042 ZABYJCIKAJAOLL-HXUWFJFHSA-N 426.521 1.391 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1505317510 HLLLAWHIDOKDNV-HXUWFJFHSA-N 432.431 1.297 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1507666857 HDYOZICUFGGFDD-JGCGQSQUSA-N 448.552 1.566 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCO1 1507710664 SROHCXUZUIAWLD-QGZVFWFLSA-N 436.516 1.940 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507732901 VBVSWBNIAJQCRX-VGOFRKELSA-N 445.951 1.806 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507810282 LENVDXMMKWNQDA-SCTDSRPQSA-N 441.598 1.561 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1507842875 DVIJVCSPMZOWPY-HNNXBMFYSA-N 437.504 1.096 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1507958708 HLNHAMYEPWXZAV-KRWDZBQOSA-N 447.561 1.643 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCS(C)(=O)=O 1507973074 QSKQKQJWMKZUBR-UHFFFAOYSA-N 441.579 1.252 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCNC(=O)CC1 1508075955 RDMLUPHCGCESDU-INIZCTEOSA-N 442.520 1.445 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1508090389 HQKLYTSIQDPAED-SJLPKXTDSA-N 441.488 1.890 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1516021335 DAYKKWASHFBYOL-PKOBYXMFSA-N 444.561 1.761 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCO1 1518940570 HJDLJNDRUZQZSY-GOSISDBHSA-N 428.493 1.059 30 10 IDEE C#C[C@@H]1COCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1525109161 IRCLKOQLYCJOJS-QWHCGFSZSA-N 447.376 1.772 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1 1532529317 MGWBZBCENPWAAL-UHFFFAOYSA-N 432.436 1.797 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1539179830 SEBGDHODBNGFIR-KRWDZBQOSA-N 429.525 1.943 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN(CC)S(C)(=O)=O)CC1 1539441404 NUIQCTAJGHODDY-UHFFFAOYSA-N 448.568 1.511 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CCOC)CC2)nnc1[C@]1(OCC)CCOC1 1539643520 WSPRBWWQSJGFAN-JTAQYXEDSA-N 449.596 1.680 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCC2)CC1 1539848988 SHJBZBMIAKZQHN-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539882146 SZZLRHZVCOTNJS-NRFANRHFSA-N 432.546 1.906 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539903324 WQOOQODGLGGSCU-XHSDSOJGSA-N 438.598 1.453 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN2CCCO)CCOC1 1541723971 KZYCPHFYMWKJKE-REWPJTCUSA-N 446.596 1.905 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C#N 1542027811 GMQTZXAXYNRGOI-OAHLLOKOSA-N 427.509 1.718 30 10 IDEE CCc1nnc(N2CC[C@@H](CN3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546474015 QWCTVIPWRIZRKF-UNEBPCJRSA-N 427.553 1.679 30 10 IDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NC(C)C 1548371024 BKXWBOBNUYTHSS-QGZVFWFLSA-N 441.454 1.948 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1554284775 MLCUJHBDZCTLDU-UHFFFAOYSA-N 427.534 1.664 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)c(OC)c1 1554872675 PIIRKIUJTFGKGC-DLBZAZTESA-N 429.477 1.497 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)c(OC)c1 1554872677 PIIRKIUJTFGKGC-IRXDYDNUSA-N 429.477 1.497 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1555201188 AAOSIZSOTBVKAK-UHFFFAOYSA-N 436.472 1.762 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c1C#N 1556842467 IQMVVAOHQQRPEQ-CRAIPNDOSA-N 440.447 1.783 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 1568773707 FCMCSSNDJKEWDW-HZPDHXFCSA-N 428.961 1.834 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1587500771 HIDNUICLSLBXAC-ROUUACIJSA-N 448.495 1.991 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)C(=O)NC 1588006527 MNIMOTOMAQBCOK-UHFFFAOYSA-N 437.592 1.484 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC(=O)N1CCOCC1 1588166361 FEBYHJSIIPNBSJ-UHFFFAOYSA-N 439.541 1.511 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1588314999 XNDVAKTWCNJKRQ-QGZVFWFLSA-N 428.537 1.702 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1589403613 AKZBYVARZPWIIP-SOUVJXGZSA-N 445.383 1.952 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1589570946 XMSQYOHIDSTUBY-QKLQHJQFSA-N 431.537 1.771 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595601909 ADWIKWSYLWVKQS-NLWGTHIKSA-N 441.580 1.675 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1595884520 MQMJVNIIUVKHDV-GFCCVEGCSA-N 443.517 1.529 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CCO1 1596632949 HHXVSUQTDIIPHR-PKOBYXMFSA-N 426.546 1.911 30 10 IDEE CS(=O)(=O)C1CCC(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1597914406 GAILDZZPQFFHFK-VJFUWPCTSA-N 446.529 1.483 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1611303775 RTDDVSZZCMQCBN-HNNXBMFYSA-N 429.525 1.855 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3c(cccc3NS(C)(=O)=O)C2)c1 1615234345 SYBGTIIRVXLAIU-UHFFFAOYSA-N 426.498 1.746 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1(C)C 1619517270 LLPYXGHEIFUUKJ-UTKZUKDTSA-N 445.545 1.228 30 10 IDEE COC[C@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619623494 PYPBOSWTEYQIRA-GOSISDBHSA-N 436.495 1.842 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1620054653 MUVLXECMKMJGPC-OALUTQOASA-N 438.532 1.973 30 10 IDEE C=CC1(CC(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 1632117689 REDZIKBWLXCHLO-INIZCTEOSA-N 441.536 1.975 30 10 IDEE C=CCOC[C@@H](NC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1634058652 KASXTKSEZBLBGB-MRXNPFEDSA-N 436.509 1.470 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)cc1OC 1640375242 RELLPVSXAUTDLN-SECOEOQKSA-N 425.489 1.672 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 1640376063 KEFKQPJDLBVXPW-OWCLPIDISA-N 430.571 1.798 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1641764939 WZISMHLWBJHEGI-VGOFRKELSA-N 439.553 1.712 30 10 IDEE C[C@](O)(C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccc(F)c(Br)c1 1643403015 CXTYANXCCHZFSR-QGZVFWFLSA-N 438.257 1.866 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1654096659 AUEYTIXAUXTLRI-CQSZACIVSA-N 449.330 1.977 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)CC1 1664544165 LKVUHGLMHNZSGG-UHFFFAOYSA-N 435.523 1.912 30 10 IDEE C#CCCCS(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1665706739 HGIWGDJKGMGSQL-XHSDSOJGSA-N 427.523 1.244 30 10 IDEE C#C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)[C@@H]1CCCO1 1681591994 BWYCJTOEMUCHAV-WKULXVSPSA-N 448.520 1.391 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1682888566 VGVONBVIZNTTPC-OALUTQOASA-N 448.564 1.668 30 10 IDEE C#CCN(C(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1683620101 CBFNWLLMTKGECQ-RYUDHWBXSA-N 430.470 1.046 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC#C[C@@H]2CCCCO2)C1 1684029119 GXELLDQFOQKSGX-DLBZAZTESA-N 443.566 1.282 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(c2ncc(I)cn2)CC1 1684426446 XXGCLIMCLZJGLY-AWEZNQCLSA-N 443.289 1.341 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1689973838 RZQILJPIKVECOX-UHFFFAOYSA-N 425.456 1.822 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1689990204 MUMSSVHFHPHRHR-MRXNPFEDSA-N 447.561 1.403 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1689991124 WFGLVMAGOOLRJW-QAPCUYQASA-N 433.509 1.381 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689992797 OWWSCWCUMKJVJU-JWIGPWBQSA-N 426.608 1.405 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2COCCO2)CC1 1690117834 XIMPKLIJQJZNMN-GOSISDBHSA-N 427.505 1.133 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCN(C)C2)CC1 1690133538 KPGYGWXADJSFPI-XMMPIXPASA-N 438.576 1.241 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)nc2)CC1 1690146788 WVSTWJGDOZGMJJ-LJQANCHMSA-N 438.532 1.590 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@H]2C1 1690234879 PTGMDTUZSKRWPL-DZKIICNBSA-N 440.342 1.722 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1690565446 JYOKUDVMINTEQT-UGKGYDQZSA-N 445.589 1.439 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1690653434 QSLKCRJMJSWCAQ-AUSIDOKSSA-N 446.596 1.639 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690654937 AKCAZXYYEBFIDD-UHFFFAOYSA-N 441.536 1.410 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690667640 BSGQTYBMCSYQMR-AWEZNQCLSA-N 425.497 1.150 30 10 IDEE Cc1nc(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)cs1 1693353771 OWBMBXDGIAQJFT-UHFFFAOYSA-N 425.518 1.940 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1696501606 FDAJCFAWFVYJTC-QGZVFWFLSA-N 446.533 1.145 30 10 IDEE CO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1697131383 CYKHTKUFIBJXPL-WDMOLILDSA-N 442.439 1.298 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1697926853 UDKCUQSNAJRAKH-YADHBBJMSA-N 427.505 1.600 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705563778 FDSFQWGJRJMTQE-SFHVURJKSA-N 439.545 1.333 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1705564953 FZTFXXIYWRMNKW-RBUKOAKNSA-N 437.610 1.878 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705566060 LQQHBMYTFPRIAC-YMGMXPECSA-N 438.619 1.864 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1705591515 DZUKCTXRBVJATE-UHFFFAOYSA-N 428.298 1.081 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1705603545 XIGIDDIYPSJRCZ-UHFFFAOYSA-N 446.515 1.665 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705659985 KNLJGFFGYKGAMX-MRXNPFEDSA-N 441.623 1.399 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705660875 JYOOIWMDRCKYPD-IBGZPJMESA-N 432.638 1.976 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705725940 ZVYHGHVULOTHRJ-MRXNPFEDSA-N 430.534 1.114 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705734276 JNLVMMBYKUHBPG-SFHVURJKSA-N 441.536 1.643 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)N(C)C)CC1 1705777122 XOLXGOGPWLMLDT-LJQANCHMSA-N 427.571 1.224 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705825292 PFKNCXFPOJOHMX-LJQANCHMSA-N 443.552 1.517 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1705843783 NPKZWWJJIVYWTD-IBGZPJMESA-N 445.589 1.996 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705905477 WWGQHQHOIXSNJE-UHFFFAOYSA-N 432.532 1.590 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CC(OCC)C1 1722356980 OLJDMDYSEMWWOL-UHFFFAOYSA-N 441.580 1.479 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722381093 HQHMAHYCKYSJPM-VQTJNVASSA-N 446.511 1.468 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722452016 APEANGOYKKKKIQ-HRAATJIYSA-N 442.545 1.676 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1722693302 JOABQHCISCYSID-JOCHJYFZSA-N 443.504 1.260 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722713578 HVWNTZIFATUUMR-WPCFFEEUSA-N 442.520 1.827 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722813537 CYPMNZZYGNCXGM-ZBKJMMEJSA-N 449.515 1.576 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNc2ccccn2)CCOC1 1723692496 PANIELFSYSQSAG-XMSQKQJNSA-N 441.536 1.945 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1730624041 AWFZKRFNOHYONF-QFIPXVFZSA-N 428.537 1.955 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1740694664 QCGACPXWBJWMIG-IAGOWNOFSA-N 445.568 1.145 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740802240 JUBLKEPMGJVATN-DJJJIMSYSA-N 440.932 1.569 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1740900352 PLXRZJYJOVRXKC-LJQANCHMSA-N 444.561 1.957 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1740953828 SAKKFODRXVEYAG-UHFFFAOYSA-N 440.939 1.961 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1740959424 VBWONFODYGYFHL-JKSUJKDBSA-N 444.536 1.949 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2)C1 1740985340 FTLDNMVAGLBMLE-SFHVURJKSA-N 447.561 1.595 30 10 IDEE CCn1cc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1746353621 PTBMTBIHUHJMLU-VQIMIIECSA-N 428.541 1.443 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1748647253 LMNAQCDBSCXWSX-KSFYIVLOSA-N 439.541 1.809 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748817242 HJKVAAXRZRIFJL-ROUUACIJSA-N 433.578 1.999 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1748929235 HBJOINMIYSWCPI-QGZVFWFLSA-N 444.561 1.782 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCOCC1 1748956377 DNYOHMCGJGZSHK-UHFFFAOYSA-N 427.505 1.482 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)OC)CC1 1748987256 QQIKKNITJFWTSO-UHFFFAOYSA-N 445.593 1.418 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCN(CC)C2)CC1 1749008952 DQKYVOMEKZRLMC-ICSRJNTNSA-N 428.581 1.827 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)OC 1749326413 DDVMKFFXNLSELU-DZFGPLHGSA-N 440.548 1.635 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCCC[C@H]2C1 1749655744 QTHCYMPUWLZWPH-SFHVURJKSA-N 425.493 1.830 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749681457 BNNRCIAZMXPJCO-JOCHJYFZSA-N 434.585 1.541 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COC)C1 1749687225 OKBMYKNBGIWSNL-SFHVURJKSA-N 429.521 1.881 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1750518726 GHBQHVSYMDLLHV-NMEJYPJZSA-N 441.561 1.578 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1750992050 HCXAHONGBXZNJE-UHFFFAOYSA-N 433.520 1.401 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760183506 BRBYATQIXCNFHT-GOSISDBHSA-N 443.573 1.734 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1760184638 XRRWRPIPKZZGLS-KRWDZBQOSA-N 435.550 1.051 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1760247111 OUGMIFTWRVWGDG-UHFFFAOYSA-N 437.953 1.720 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCNS(=O)(=O)CC)CC1 1760383404 PFYWMZLPPBNXCP-LJQANCHMSA-N 427.571 1.416 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760520630 UZFBDCVPZACYOS-XLIONFOSSA-N 442.539 1.933 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1760526395 MYEUKCFBEHUEIH-UHFFFAOYSA-N 437.504 1.136 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1761208014 HWVDMVLCBDZFRH-GXZWQRSESA-N 428.493 1.702 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CCO1 1767714192 YWGSCHNEPUFYBP-INIZCTEOSA-N 434.447 1.440 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1768903395 LHRRUKVSZSOWBD-UHFFFAOYSA-N 433.534 1.229 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1771366580 UXOWIWULDGBUDX-QGZVFWFLSA-N 426.905 1.980 30 10 IDEE Cc1cccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C(C)C)c1 1849552255 PNRQBXGMZUWPJU-FQEVSTJZSA-N 441.557 1.913 30 10 IDEE CC(C)N(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1856648822 OJVAGDPTHHGBFT-WOJBJXKFSA-N 431.558 1.763 30 10 IDEE COc1ccc(-c2nc([C@@H](C#N)C(=O)CN3CCN(CCO)CC3)sc2C)c(OC)c1 1872800854 WZSUQHANINQCCA-SFHVURJKSA-N 444.557 1.922 30 10 IDEE N#Cc1cccc(S(=O)(=O)N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 1890070077 GATFVIYGFRMXGU-UHFFFAOYSA-N 437.407 1.526 30 10 IDEE CCn1c(=O)c2cc(S(=O)(=O)NCC#CCN3CCCCCC3)ccc2n(CC)c1=O 1890504514 KQIOMPWHOAJKIN-UHFFFAOYSA-N 446.573 1.361 30 10 IDEE NCC#Cc1cccc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1 2145991251 HUJOAVMPQCJLKI-UHFFFAOYSA-N 426.498 1.600 30 10 IDEE C#CCn1ncc(NC2(C(=O)OC)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162324006 RNCQWELCSQLJNP-UHFFFAOYSA-N 441.282 1.213 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC1CC1 2247951623 JCTUKGVUURCTMM-UHFFFAOYSA-N 432.355 1.715 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 2255608253 IZZPWKIAZUXLGW-CYBMUJFWSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2255633133 WVFJCSCPJGZHRP-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255819777 GQMBRQIPGDEPPZ-QGZVFWFLSA-N 429.326 1.369 30 10 IDEE Cc1c(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143620 KPVSIUCRVGMOKA-GOSISDBHSA-N 444.263 1.311 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2267153459 BUWLKWCYPXBCFR-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267176826 FZRWWLJWPUDYKI-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1CNC(=O)OC(C)(C)C 2267184594 NLEUNTPTDNJIRJ-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE Cc1sc(C)c(S(=O)(=O)N2CCC3(C2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2267472373 PEVKZHAAEZXYBC-UHFFFAOYSA-N 429.369 1.802 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)n1 2267495909 RKSJZLIMDHEMQS-GOEBONIOSA-N 446.357 1.801 30 10 IDEE Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267505563 KEIFSQPSNGPAEW-GOEBONIOSA-N 446.357 1.801 30 10 IDEE Cn1ncc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267509464 WITZQWVQTQHNMF-GOEBONIOSA-N 446.357 1.801 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2267523591 DTPOVWUPYLRBFH-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2269900154 JAPRERXHEMVXJN-HNNXBMFYSA-N 449.357 1.729 30 10 IDEE Cn1nc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282555886 ZULMBUCSVTXWKI-GFCCVEGCSA-N 425.722 1.598 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCCC23OCCO3)OC1(C)C 2282834638 MAMCVQDYDYOMMO-AWEZNQCLSA-N 444.384 1.547 30 10 IDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccncc1 2325917999 MOQCUHGBWAOHAT-KRWDZBQOSA-N 435.513 1.649 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337194487 MSEPDUMEDZJADF-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2339879301 TYRJVSXTYCJZKM-HNNXBMFYSA-N 449.357 1.959 30 10 IDEE CC1(C)OB(c2ccc(Cn3c(O)nnc(Br)c3=O)c(F)c2)OC1(C)C 2368987679 LDOZPQVCVMQBJF-UHFFFAOYSA-N 426.051 1.593 30 10 IDEE C=CCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 13046954 MCOFGOHVVHLMHK-AWEZNQCLSA-N 431.308 1.448 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1ccc(C#N)cc1 18225212 QZIFUHKIEXMATL-UHFFFAOYSA-N 428.466 1.927 30 10 IDEE COc1ccc(OC)c(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254625943 XLYPMEZEIRYZNL-UKRRQHHQSA-N 442.515 1.560 30 10 IDEE CCN1CCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2)CC1 427784151 XOTNCAQFWALTEV-UHFFFAOYSA-N 449.558 1.389 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 460380769 AQCBDDDCIXUJOE-UHFFFAOYSA-N 435.536 1.947 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 461844636 TWNZTRWZNDHWRM-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1C 462446084 OVBPYAGPVPRRLF-UHFFFAOYSA-N 425.510 1.207 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)C1=O 482021958 VMSNJSQAJDULNR-PKOBYXMFSA-N 426.473 1.066 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@H]1CCCO1 486824323 YRZBWSQLIAOZDX-CYBMUJFWSA-N 449.454 1.288 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 505664231 SBXFSJSZTYACDC-KRWDZBQOSA-N 448.548 1.748 30 10 IDEE Cc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cccc1S(N)(=O)=O 513826052 NZRYDPUQLWYJHA-INIZCTEOSA-N 430.511 1.668 30 10 IDEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 514847241 ZWTAYIMUPBIRDZ-SFHVURJKSA-N 427.509 1.386 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)CC1 517760082 SXNIGNOHEVRKBU-UHFFFAOYSA-N 447.601 1.836 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cs1 517985990 OISZTKNXEKLDBM-UHFFFAOYSA-N 447.545 1.571 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)o1 531683829 BVTKJYMWVNWWGM-UHFFFAOYSA-N 437.521 1.725 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(NC(=O)C4CCCCC4)CC3)CC2)o1 533343820 PGTPKFKQZDDNGK-UHFFFAOYSA-N 442.564 1.664 30 10 IDEE C=CCN(CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)[C@H]1CCS(=O)(=O)C1 533388079 XHJQTFYYWYEVJH-SFHVURJKSA-N 435.594 1.232 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1Cc1ccccc1 541798334 CPVLISVBZXPZGA-UHFFFAOYSA-N 434.477 1.424 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 555240060 GAHHKQAFGBBGCW-AWEZNQCLSA-N 426.568 1.323 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 566590283 YNDOHFAWZAFOAL-UHFFFAOYSA-N 445.545 1.907 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccc(F)cc1 603787699 ZPDPWJXSXIQOEF-UHFFFAOYSA-N 443.525 1.674 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cn1 609640776 UYRBZKNQDKXKFD-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)Nc4nncs4)CC3)cc2C1=O 617070260 ABOKCOXTINZIEA-UHFFFAOYSA-N 425.470 1.811 30 10 IDEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@@H]1CCS(=O)(=O)C1 729335334 LZRAEWLKVVETCM-CQSZACIVSA-N 428.963 1.903 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729459240 KPUYUMCADRBGJC-NSHDSACASA-N 444.293 1.367 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2ccccc2c1 730141012 YPEIGJSXABECHZ-SFHVURJKSA-N 441.557 1.585 30 10 IDEE CN(Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)C(=O)C(F)(F)F 732708493 QOJNGFRZRMAJBT-MRXNPFEDSA-N 437.422 1.345 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 742279270 HOBFQSOKSUBGFZ-NSHDSACASA-N 439.309 1.721 30 10 IDEE CCOc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)cc1 751670599 DOYCDCLAEFFRFU-SJLPKXTDSA-N 434.562 1.874 30 10 IDEE O=C(NCC#CC(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757487795 WHPVCRSWURASBW-SJORKVTESA-N 448.475 1.823 30 10 IDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 762206243 JJBUIZCQPYYCGI-GOSISDBHSA-N 433.578 1.037 30 10 IDEE C#CCN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 765664909 KCPINCJPWSOSSO-LBPRGKRZSA-N 448.238 1.462 30 10 IDEE N#C[C@H]1CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CCN1C1CC1 771668707 SWDAPOFSJRDTBN-ZDUSSCGKSA-N 448.264 1.945 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)n1 789191169 BFBBGFSVGFRHEV-UHFFFAOYSA-N 445.545 1.414 30 10 IDEE C=CC[C@]1(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790647596 FUJRYSSHLPVPLF-WMZHIEFXSA-N 436.597 1.855 30 10 IDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(F)cc1 812875560 VFWCMWCYMNWISS-LJQANCHMSA-N 445.520 1.346 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 846740801 NRXOIQKZBCFYQT-OAQYLSRUSA-N 448.545 1.502 30 10 IDEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NCc2ccco2)n1N 1084363971 NXTLRUMBIRUXTP-UHFFFAOYSA-N 431.526 1.834 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)COc2cccc(Br)c2C#N)C1=O 1126808901 LHFCYFHAULUXSN-VOJFVSQTSA-N 435.278 1.536 30 10 IDEE CN(C(=O)c1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1)C1CCOCC1 1141555284 BJIBCKXEDVAKNY-QZQOTICOSA-N 426.473 1.793 30 10 IDEE C#CCN(C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@H]1CCS(=O)(=O)C1 1167959756 PQZKKJZJRQIJCP-ZWKOTPCHSA-N 426.579 1.915 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)CC1 1175515028 OPIIEFCXFGWEBY-LJQANCHMSA-N 441.553 1.657 30 10 IDEE CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757432 QBXNWMMXHPZTPA-OWZDWXTDSA-N 435.502 1.511 30 10 IDEE Cn1ncc2c(O)nc(SCC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)nc21 1189737404 GAEBUQMGGCSYIA-INIZCTEOSA-N 441.492 1.709 30 10 IDEE CC(C)CN(C(=O)CN1CC[C@@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1196328813 IBPRFRJRDWTGAU-QHCPKHFHSA-N 438.532 1.804 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CC1 1215127543 OGMXSNUFNJNGTI-UHFFFAOYSA-N 434.562 1.395 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 1229856884 RUPGYIMTVLAALB-BRSBDYLESA-N 439.578 1.854 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1286364619 GZGWHWLTZRSCEA-UHFFFAOYSA-N 435.575 1.402 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1286423793 WKMKIEIRMALCBU-QHCPKHFHSA-N 427.549 1.827 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1286459420 OZHJEPUIYSMPMB-UHFFFAOYSA-N 440.529 1.383 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCS(C)(=O)=O 1286459598 DRKBIDJCVNQVQA-UHFFFAOYSA-N 441.351 1.838 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCOCC1 1286466850 OQEORVXINLVSCO-UHFFFAOYSA-N 429.496 1.343 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1286604287 QVEPBOBYKVWSFO-SFHVURJKSA-N 429.477 1.218 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1286672849 QVCPMMJLNLCKDK-SJORKVTESA-N 441.598 1.829 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1286709722 CGYNTCBJQLPMIA-KRWDZBQOSA-N 429.500 1.683 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC(N)=O 1286780234 RTDJWRFAPLPADS-LLVKDONJSA-N 438.330 1.048 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1290576271 CFOXZAGGHPRRTN-QGZVFWFLSA-N 448.579 1.454 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H](C)O1 1293540492 DVTCSBMLOSCPPR-RRMPHLOHSA-N 445.545 1.370 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1295161276 CCVCQJAHCGCEIZ-SFNQZPIRSA-N 447.586 1.741 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)ccc1F 1299801566 NQNGYNPFRVRJAB-SFHVURJKSA-N 431.489 1.603 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1300495380 GQGDXYKJPIKUGU-UYAOXDASSA-N 447.605 1.821 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(O)CCN(C(C)C)CC1 1300541171 MYPDGAWGAYNAFW-UHFFFAOYSA-N 426.590 1.942 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1300685072 FRKHDCVQGYBOJG-OFNKIYASSA-N 430.597 1.414 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301577888 PJOGBVGBDWSKHJ-FQEVSTJZSA-N 431.518 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(=O)NCCC)C2)nnc1C(C)(C)C 1301595799 APESUIHFFHCYRU-INIZCTEOSA-N 425.599 1.919 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(F)(F)CO1 1301799967 POLUDCPYRUKBRN-AWEZNQCLSA-N 435.435 1.716 30 10 IDEE CC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301845243 ZPVBXPSJGNTTOV-VXPUYCOJSA-N 443.552 1.498 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ccc2c(c1)OCO2 1303366901 CONQYDFSJOFJJT-HXUWFJFHSA-N 430.440 1.666 30 10 IDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)COCCO1 1303992120 IKQLIUKAXGKSBT-VGOFRKELSA-N 440.504 1.236 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCc3c(sc(N)c3C#N)C2)C1=O 1308132247 SUGYSPHUUWVJTI-OAQYLSRUSA-N 438.513 1.449 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1316096598 KGBVHYSXAKYTET-UHFFFAOYSA-N 438.532 1.962 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)CCO1 1316539901 RRPVRRGGVFCKDZ-AWEZNQCLSA-N 431.884 1.004 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)ccc1F 1320167509 XJPDUXLMIYZLCB-HNNXBMFYSA-N 442.512 1.966 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1358985878 JIITWCBFJBBRJQ-BJKOFHAPSA-N 439.560 1.793 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CC(OCC)C2)CC1 1359042414 FNWOIZBQAKORII-UHFFFAOYSA-N 441.532 1.742 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359104372 AOKXAKSUQJRKEP-XDNAFOTISA-N 439.582 1.629 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC[C@H]2CCCO2)CC1 1359159381 VEZDUJJXFFJVFI-DLBZAZTESA-N 427.571 1.630 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1359261998 DCFQQSKNODPZOS-CYBMUJFWSA-N 436.567 1.319 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359303338 KSUJYLAHOFVCSU-UHFFFAOYSA-N 428.516 1.569 30 10 IDEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359309807 DXGAJNIRKFWQNG-SFHVURJKSA-N 438.532 1.237 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1359480816 CMKIYVXUTUKENF-VTJXTGGHSA-N 444.561 1.553 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)cc1 1465258942 FPGZLEOWGZAICB-KDURUIRLSA-N 441.575 1.782 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3ccncc3OCc3ccccc3)C2)c(=O)nc1O 1470119681 ZETXJHHOJUYNKF-UHFFFAOYSA-N 432.440 1.561 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 1473620563 LRDQPZKSOTXSDO-MRXNPFEDSA-N 437.562 1.977 30 10 IDEE CC(C)Cn1c(N)c(C(=O)CN[C@H](c2cccc(C#N)c2)C(F)(F)F)c(=O)n(C)c1=O 1473741575 PJZKDZAHQXOXNR-MRXNPFEDSA-N 437.422 1.733 30 10 IDEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNS(=O)(=O)CC 1499218821 FYFZDVMNVAXQKV-SFHVURJKSA-N 432.550 1.619 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503301589 VQXSLDPNZJQVQK-KJEZJMDVSA-N 430.534 1.476 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@H]1C 1504911487 VEYWNVIDIXHMHY-JPYJTQIMSA-N 440.548 1.779 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1507517064 FUDMNIPLPUCVRI-DYESRHJHSA-N 428.558 1.756 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1507637583 RGKMKRKONOJYQG-UHFFFAOYSA-N 444.499 1.373 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507651345 MOUUYAAORCHLDX-IBGZPJMESA-N 430.487 1.820 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1507652746 LCCATESQIQPKCR-INIZCTEOSA-N 444.337 1.741 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2COCCO2)CC1 1507720246 CFJZLCHIMXNILR-XLIONFOSSA-N 429.496 1.728 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1507723600 OANDAWWDTVTSKO-OAQYLSRUSA-N 434.523 1.932 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507732856 YHERDKGOQVMZDJ-FQEVSTJZSA-N 427.597 1.244 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507838222 MYMWEVNTIPYYCR-MRXNPFEDSA-N 440.508 1.971 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC3(CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508096709 CDDXVXGRLYBUHQ-JOCHJYFZSA-N 433.553 1.770 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC(N)=O)cc1 1508100445 KNRBRPFNZQMTLE-WBVHZDCISA-N 447.561 1.493 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCOC2)C1 1508132299 WUZGZVFHBHUDBO-FQEVSTJZSA-N 446.533 1.143 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(=O)N(C)C)n1 1511125930 GEGJOYXZEFTLLP-MRXNPFEDSA-N 446.519 1.114 30 10 IDEE N#Cc1ccc(OCC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Br 1515840293 ZDYPMOQYPQKGIR-BMEPFDOTSA-N 444.285 1.623 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1519375212 PHOWPCIPGDFPQN-DENIHFKCSA-N 426.521 1.125 30 10 IDEE CS(=O)(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519520005 KHQARLPQECLQBI-MRXNPFEDSA-N 432.506 1.099 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCSCCCO)c1 1521082762 MEOBYSVVZZDLRP-NRFANRHFSA-N 429.546 1.928 30 10 IDEE C[C@@H](C#N)N(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1534404536 HBQXMMVUPWPRIR-AWEZNQCLSA-N 426.926 1.324 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1537494283 LOIOIZGUIGACEF-HNAYVOBHSA-N 429.539 1.380 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539120527 XCYLFFOWGYDDNQ-HMXCVIKNSA-N 428.581 1.574 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1539324111 PUTUMVFUVANKMF-VQTJNVASSA-N 431.606 1.764 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)NCCC)CC1 1539461484 GMIOLEXLSUSBMM-UHFFFAOYSA-N 426.521 1.147 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CC2)CC1 1539488067 GBXPSUGXVPDCIH-UHFFFAOYSA-N 430.578 1.262 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539513540 KPLWTBLAMLUBQG-KRWDZBQOSA-N 442.520 1.588 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539519121 BQWJKWCMIJKOGX-HXUWFJFHSA-N 426.590 1.789 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)c(F)c1 1540048356 UNOSZULEEAGRMZ-AWEZNQCLSA-N 438.529 1.388 30 10 IDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1541690376 BADBNFBWFSQEDP-INIZCTEOSA-N 439.520 1.310 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)(F)F)CCOC1 1541733498 QVLODAONXONBIW-WMLDXEAASA-N 433.431 1.974 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)s1 1542356722 VCUXLWIGQMJIOZ-BBWFWOEESA-N 441.619 1.855 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 1545055248 FAHDEMXYECTMDP-LJQANCHMSA-N 444.488 1.825 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC[C@@H]1C 1555168576 QQOXPGBQCZFYER-WBAXXEDZSA-N 437.504 1.666 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1555316072 DAMZXLQHWTVPTA-UHFFFAOYSA-N 430.534 1.491 30 10 IDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCS(=O)(=O)C1 1556197946 POVUQKAPZBVVHS-DQLYFJKKSA-N 425.551 1.666 30 10 IDEE C[C@H](CC(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1556589546 LCVVNXFLIZNHAK-CWTRNNRKSA-N 428.470 1.367 30 10 IDEE C#CCN(C)CCCNC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1556828712 ZWNBLICIYHLBNO-HSZRJFAPSA-N 435.524 1.957 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 1558073401 QVAGJODWSZKBOC-UHFFFAOYSA-N 436.534 1.567 30 10 IDEE COc1cc(CNC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)ccc1OCc1ccccc1 1559448460 BFLMHZZGXASMKZ-UHFFFAOYSA-N 448.479 1.631 30 10 IDEE N#Cc1ccc(OCC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1Br 1565875031 HZOCTFDDNKBSRF-UHFFFAOYSA-N 448.277 1.394 30 10 IDEE CC(C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(=O)(=O)c1ccc(Cl)cc1 1585138767 LULFNLGCMLUSCU-SJCJKPOMSA-N 430.935 1.289 30 10 IDEE C#CC[C@H](COC)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1587392691 RCVVMSRLSDJALI-DLBZAZTESA-N 435.546 1.225 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2nscc2I)CC1 1587690467 CGORGYLNTYOSEC-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC[S@@](=O)CC)c1 1587697279 MGKBQESOOSPWIA-JJCDCTGGSA-N 429.546 1.954 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1588045418 KIBKVWLHWOGUAY-INIZCTEOSA-N 436.509 1.374 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1588314929 VPFUBZKBKHFMHL-QHCPKHFHSA-N 436.516 1.940 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCSC2)n1 1588724005 SFMIBKZWEXXCIA-FUHWJXTLSA-N 443.577 1.465 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1593833879 FLRNYLXZXUGEFE-OAHLLOKOSA-N 435.937 1.912 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2OC)CC1 1595561850 DRICIAPSKLQODC-UHFFFAOYSA-N 447.543 1.901 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(N)=O)c2)C1 1595713627 BTPXEDBBOLCWLQ-SFHVURJKSA-N 435.488 1.429 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCC2)C1 1595743626 CWKNOTYNJROREZ-MRXNPFEDSA-N 437.566 1.149 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C1CCC1 1595758836 CJPNPMGMABCIFE-GDBMZVCRSA-N 445.611 1.258 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1611771153 VLSJGROEBFBXCN-UHFFFAOYSA-N 427.534 1.886 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4n(c3C#N)CCOC4)CC2)cc1 1617125265 LIMZEZZVESQELC-UHFFFAOYSA-N 445.501 1.333 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1619928322 FLLLJVFVYMIPEL-KKSFZXQISA-N 426.525 1.304 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CCO1 1620355596 LBIRXLFONJPMHH-QWHCGFSZSA-N 432.282 1.164 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1 1622974782 NBBXVMCQHZOIFA-UHFFFAOYSA-N 439.969 1.947 30 10 IDEE C#CCN(CC(=O)N(CCN(CC)CC)[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1623284678 UCGZHWPCBXIOHI-KRWDZBQOSA-N 429.583 1.214 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1625388014 SKGRRDSBFCOYDS-BTYIYWSLSA-N 435.480 1.270 30 10 IDEE Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(C#N)cc1I 1626249572 FSIKZGPJUQLGIO-UHFFFAOYSA-N 433.209 1.989 30 10 IDEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1627057879 BKXHLUNOOTVIGX-UHFFFAOYSA-N 449.554 1.677 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1627600363 XBGAHRQWXSVAQR-IBGZPJMESA-N 431.533 1.956 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)c1 1628924640 UZYDHUCAQJDQAA-UHFFFAOYSA-N 434.539 1.463 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](n3cccn3)C(F)(F)F)CC2)cc1 1629484541 ARFOPHVZGKHTQV-INIZCTEOSA-N 441.435 1.781 30 10 IDEE Cc1nn(C)c(C)c1[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 1630407833 BFFRRDUEJAVUMB-MRXNPFEDSA-N 429.424 1.607 30 10 IDEE C=CCCC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OC 1634885177 QUVZRGGSFSIRJB-SNVBAGLBSA-N 439.353 1.803 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)C2)nc1 1638911412 SSUYWDSQCGEADY-MOPGFXCFSA-N 425.464 1.215 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1643543346 OPPHXUKIBLIANI-BTYIYWSLSA-N 428.526 1.778 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1648999931 QLJJGLMQMBDGPV-CQSZACIVSA-N 435.502 1.018 30 10 IDEE CCOc1ccc(NC(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCCC1 1665336750 DCULCCNXWKTETI-UHFFFAOYSA-N 435.550 1.933 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CC(OCC)C1 1690039321 AYZBQMIVYFQDQG-UHFFFAOYSA-N 446.515 1.314 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(OC)CCOC2)CC1 1690130679 LRMMVCQHFBYEIC-QHCPKHFHSA-N 425.533 1.460 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1690184042 CEORYEJDYFIZTL-INIZCTEOSA-N 429.546 1.899 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)NC)CC1 1690219887 NGVRROPZWJVTMZ-ZDUSSCGKSA-N 431.335 1.372 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1690298494 ZPTATDPOAACDEC-QFBILLFUSA-N 427.571 1.272 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1690670822 JVPWYFDEMNNEKE-LJQANCHMSA-N 438.532 1.355 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCC[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677139 OTNLCEVDKAQOGS-AVRDEDQJSA-N 435.569 1.874 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](F)COC)CCOC1 1696061040 QPTFQRVBDUKDMB-HRAATJIYSA-N 446.483 1.450 30 10 IDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1697971695 HWRHPLRLXDTMPQ-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705570474 QCVGTNHCNWDRKD-LJQANCHMSA-N 431.562 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705584189 ACHASKODFDZZAU-UHFFFAOYSA-N 436.516 1.630 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1 1705636064 WQHPTAXGTRIWKL-UHFFFAOYSA-N 433.560 1.683 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2csc(COC)n2)CC1 1705649806 FTEHLJXQPHIDNY-UHFFFAOYSA-N 428.562 1.848 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCn3ccnc3C2)CC1 1705652663 IFOKAMMNYKCMDE-KRWDZBQOSA-N 425.537 1.240 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705663243 ALKZLSAFHUYCQO-WIYYLYMNSA-N 444.649 1.976 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705734322 KXINDNJZEOTOHG-SFHVURJKSA-N 448.593 1.881 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705735166 KQALAPPYORSEAE-ZWKOTPCHSA-N 446.552 1.531 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)N(C)C)C1 1705924239 VCJHWTUVZHOCAE-GOSISDBHSA-N 437.541 1.681 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)cs1 1707761086 FTUJXSGCEPPKQA-AEFFLSMTSA-N 432.550 1.806 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(C)C)CCO1 1711360853 QAJVAJZVHHLAFA-LJQANCHMSA-N 426.521 1.831 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 1712713671 GIHQAYJLZIVTKY-CQGGRAHPSA-N 447.586 1.741 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722367170 VHFVLLQQYHUSCA-FICWAZMISA-N 428.624 1.966 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722367921 PBRSTLMLBCPALR-SJORKVTESA-N 433.534 1.256 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](COC)OC)CC1 1722430598 GDZIXNGOABZSTQ-PXNSSMCTSA-N 431.512 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722446870 ANVSLKOANHRYCP-CMKODMSKSA-N 440.548 1.176 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722461507 COPJNULZHQFAKL-QGZVFWFLSA-N 444.586 1.506 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722477232 DAXODEOCNMHTIZ-OBJOEFQTSA-N 448.387 1.801 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722480941 VFOJGUIAIVNIEP-SOUVJXGZSA-N 442.358 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722725806 SODRFEXBBKYZFE-SFHVURJKSA-N 446.577 1.099 30 10 IDEE C[C@@H]1CCCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1726545263 GTJHQMUSBMVLPA-CRAIPNDOSA-N 448.549 1.750 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1728418365 AQSBINGTDLVRIS-SFHVURJKSA-N 439.564 1.842 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)OC 1730463712 LDICMZDDFATXKF-GHTZIAJQSA-N 445.545 1.493 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1740592420 XKTXXHMPONROGG-QZTJIDSGSA-N 443.552 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2(O)CCOCC2)CC1 1740706188 QQZNEFBNYIKORM-LJQANCHMSA-N 445.564 1.070 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNS(C)(=O)=O 1740905103 JXQJGDRMZZJPML-GASCZTMLSA-N 442.586 1.610 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740990009 FZWHPAJIIZNSEY-QGZVFWFLSA-N 449.577 1.896 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1748678535 VLZUPDIRIRDJIQ-QZTJIDSGSA-N 425.533 1.830 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1748752504 YEPNUTAKCIAYKP-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnccc1OC 1748776273 CSILQPQBMCZHEK-UHFFFAOYSA-N 440.529 1.717 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccc(F)cc1 1748948812 XDOANQBTSCCUOJ-QFIPXVFZSA-N 429.496 1.647 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCCN2CCN(CC)CC2)CC1 1749004097 DROGQVCSANNSAY-UHFFFAOYSA-N 443.640 1.785 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1749229890 QNBOFYALLDQCHW-MSOLQXFVSA-N 441.598 1.686 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1749232878 WJXIXEHMJRSVDB-FQEVSTJZSA-N 427.549 1.991 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749363319 AQWOBUSMGQGIKF-DLBZAZTESA-N 430.553 1.659 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1749594957 VRRMTQIRZASVMX-UHFFFAOYSA-N 434.928 1.881 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1749650189 MXEKIANDWGSOIT-QGZVFWFLSA-N 446.939 1.950 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1749683129 JNZCMSRWNGKQQW-IEBWSBKVSA-N 432.569 1.604 30 10 IDEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2COCCO2)CC1 1750389622 FJSBGSDOLBHRHS-INIZCTEOSA-N 430.534 1.815 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760204731 AIGFKLULKWIBID-NRFANRHFSA-N 433.560 1.279 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1760209524 DHOICLUCQCXRDT-UHFFFAOYSA-N 437.978 1.846 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1n[nH]c(C)n1 1760218151 YYUORVLJMKQYKP-UHFFFAOYSA-N 427.472 1.726 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC 1760231733 DXWPNROUQDFSJV-UHFFFAOYSA-N 431.566 1.470 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(O)CCN(C(C)C)CC2)CC1 1760266455 ZKNMFQSONHUUAK-IBGZPJMESA-N 444.624 1.993 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)C1CCC1 1760288471 CYXOLDKSAOPVGA-FOIQADDNSA-N 436.582 1.187 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760525756 QDZYCVHHFMLNJZ-KRWDZBQOSA-N 426.521 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSCC1 1760553249 PISNHFVOHIZKGD-UHFFFAOYSA-N 436.559 1.870 30 10 IDEE CC(C)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760939958 CEWWFGXGIKJSJO-DIYRITFWSA-N 430.509 1.312 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)C1 1761544471 FBCZRWYFAWDHBU-FQEVSTJZSA-N 429.550 1.429 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1C 1765393339 AQFFWMWWDSYXCO-IAGOWNOFSA-N 425.537 1.736 30 10 IDEE COCCN(C)CCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769780320 XVTWLRFVXPEZRC-UHFFFAOYSA-N 449.519 1.238 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1770335412 CWYJLPXDYMGDAV-IBGZPJMESA-N 444.561 1.162 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)(F)F)CCO1 1771538610 FWBVPTGNIUOELL-AWEZNQCLSA-N 447.421 1.757 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C)C(=O)C1 1772660501 SIVFNSVQEFXCFH-UHFFFAOYSA-N 440.529 1.373 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c(OC)c1 1853391747 QOVZONAPIBMUQM-OAHLLOKOSA-N 436.472 1.067 30 10 IDEE C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853952593 CXSZGWONAWGVRX-AWEZNQCLSA-N 431.445 1.524 30 10 IDEE C=C[C@H]1CCCCN1[C@@H]1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1854535399 CDTCJSNXXKXPEK-DOTOQJQBSA-N 431.514 1.389 30 10 IDEE C=CCNC(=O)[C@H](CCC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593392 ITYPGRXXQJFREY-MSOLQXFVSA-N 431.533 1.682 30 10 IDEE N#Cc1ccc(Cn2nnc3c(=O)n(CCN4C(=O)c5ccccc5C4=O)cnc32)cc1 1870101854 MIRQLYXTNWJXFR-UHFFFAOYSA-N 425.408 1.204 30 10 IDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(N(CCOC)CCOC)ncnc21 1873562769 SDSCGZHLQHOKSO-UHFFFAOYSA-N 430.553 1.494 30 10 IDEE C=CCOc1ccccc1OCC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 1873691964 JPQIPBDYWNZYIG-SFHVURJKSA-N 437.496 1.916 30 10 IDEE C[C@@H](C#CC(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 1902006123 BBSNITUBNSXPJX-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1910948413 CLDWEHUWTLQGBR-BZUAXINKSA-N 438.525 1.576 30 10 IDEE CC1(C)OC[C@H]([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nncs2)O1 2033814150 MJPSANMWDCGHLH-HIFRSBDPSA-N 445.453 1.871 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073753786 FUDDYTWOGDUEPA-SPLOXXLWSA-N 437.346 1.712 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248440965 DCKBEGBNEKWBCH-ZDUSSCGKSA-N 441.359 1.334 30 10 IDEE COCC1(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2255544713 DLYXNXFBZKNHJN-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2255829091 ZZKVKYHWJUCGNJ-KGLIPLIRSA-N 434.346 1.942 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)n1 2255844440 XACGCXHTQDUUNS-UHFFFAOYSA-N 435.334 1.101 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256628877 NURDLAKARCQEGS-GJZGRUSLSA-N 433.314 1.690 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCCC(=O)O)Cc2ccccc2)n1 2256924829 YBKHIPJKWRIUFI-UHFFFAOYSA-N 428.298 1.622 30 10 IDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267184960 YPRQYQRITGZRRG-HALDLXJZSA-N 446.357 1.657 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2267270584 MDRTVQGTZJNPHY-NVXWUHKLSA-N 449.357 1.424 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267274688 DDPLVYPPSARILN-LSDHHAIUSA-N 448.329 1.188 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC[C@@H]1CO 2267281735 XKVMMDSSJNANBG-RHSMWYFYSA-N 449.357 1.662 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](C4OCCO4)C3)s2)OC1(C)C 2267378388 LZJQYXZQALVMHW-CYBMUJFWSA-N 429.369 1.821 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1CO 2267554261 YBQXFBSYVBWVHS-HOCLYGCPSA-N 449.357 1.662 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268764452 BABHBQAPMLRVHV-YESZJQIVSA-N 448.325 1.265 30 10 IDEE C[C@H](C#CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)NC(=O)OC(C)(C)C 2302380178 JEYLENYHZPOCJM-KFWWJZLASA-N 439.509 1.872 30 10 IDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccncc1 2329012385 DJBIUTPOFNUXOW-MRXNPFEDSA-N 429.550 1.898 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2337325083 CFXCSIUKTNCKJX-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE C#CCOCCCCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2344209362 GLQOWUGICBLMRT-KRWDZBQOSA-N 426.491 1.106 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2351705546 XURQUSTZYOSABC-BZUAXINKSA-N 449.357 1.663 30 10 IDEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)c1O 20527559 BUUPXYHQDPERAQ-LSHDLFTRSA-N 427.490 1.874 30 10 IDEE C=CCN1C(=O)N[C@H](c2cc(OC)cc(OC)c2)C2=C1CN(CCN1CCOCC1)C2=O 35834838 IAXRDSZDXHDOQT-OAQYLSRUSA-N 442.516 1.385 30 10 IDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)o1 59881827 CWDNYBLFWPCHTM-PTXOJBNSSA-N 432.514 1.943 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 105817308 WBNNLJTWZRUXTK-UHFFFAOYSA-N 439.541 1.675 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccnn2C)cc1 440198147 NYWGJMYJDPTXFN-IBGZPJMESA-N 445.545 1.919 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447786267 LPUSTERGJWSXJY-UHFFFAOYSA-N 433.537 1.706 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 460572863 CBNJGHOVWPQYCW-GOSISDBHSA-N 447.561 1.755 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 472129341 AQIPLLVZNSEBDL-GOSISDBHSA-N 432.546 1.790 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCC[C@H]3CN3CCOCC3)C2=O)cc1 488246836 ISAJONBRCARVPS-LEWJYISDSA-N 425.533 1.555 30 10 IDEE COCCN(Cc1ccnn1C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 490456574 ODYIQABQGBYIOE-UHFFFAOYSA-N 445.545 1.368 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1 502053901 AKXGJICTOSVCQO-UHFFFAOYSA-N 425.489 1.191 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 508272123 PSIBNMPEEYDMTF-UHFFFAOYSA-N 438.506 1.116 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)C2=O)cc1 508653848 GNHOFVVBVABGGB-XLIONFOSSA-N 437.475 1.836 30 10 IDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508841076 OMRBLFVLJDOBPF-LJQANCHMSA-N 431.500 1.961 30 10 IDEE CCOC(=O)c1cnn(C2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)c1C 509619278 QECIMKDRYAPDOJ-UHFFFAOYSA-N 427.527 1.112 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)CC3)CC1 513595740 RNZDOKMEOXCTGM-KRWDZBQOSA-N 449.559 1.201 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCOC)[C@H]1CCOC1 516349067 AXRMKEOMDWNNEO-INIZCTEOSA-N 434.566 1.974 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1cccnc1 524749363 NJPMNUFHEORRFO-UHFFFAOYSA-N 430.489 1.884 30 10 IDEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)c1 530909654 IWCHZAIPERYCOI-UHFFFAOYSA-N 425.470 1.216 30 10 IDEE CCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cc(OC)cc(C)n2)c1=O 538495671 VEDJYJIAYHDSIZ-UHFFFAOYSA-N 435.509 1.569 30 10 IDEE N#CC1(c2ccc(C(=O)N(CCCN3CCOCC3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 540771340 QDVWKJSDFAQZPL-FQEVSTJZSA-N 431.558 1.593 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2)c2ccccc2c1=O 558925978 LFNIKDQZBMMSDM-QGZVFWFLSA-N 427.468 1.969 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)C)CC1 559084585 ZXCPDLVWFYAXKD-UHFFFAOYSA-N 440.548 1.797 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(OC)cc1)C1CC1 572410655 KGZSMVGEMNINNL-IBGZPJMESA-N 447.561 1.975 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 574487849 ATYQKVQZMKFPGX-GOSISDBHSA-N 433.534 1.368 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 578303977 HHURRWDNGQYOHM-HOTGVXAUSA-N 449.581 1.585 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCn2nnc(CO)c2C1 583963163 VZZJVJYRTBKQHS-UHFFFAOYSA-N 436.266 1.224 30 10 IDEE CS(=O)(=O)Cc1cccc(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 608984574 IAHZRCICYKCCKQ-UHFFFAOYSA-N 427.530 1.966 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nnc4n3CCC4)CC2)CC1 611429414 OAXOBYYVHRVSNV-SFHVURJKSA-N 439.589 1.874 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(C(C)C)c1 727418254 PLJPEEJBPPKRDT-UHFFFAOYSA-N 437.521 1.881 30 10 IDEE O=[N+]([O-])c1ccc(NN=Cc2cnn3ccccc23)c(S(=O)(=O)N2CCOCC2)c1 729633895 SBXSRPUUNZFYDA-UHFFFAOYSA-N 430.446 1.709 30 10 IDEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(c2ccccc2)C1=O 732119066 SAKRTAUNPNGARK-QGZVFWFLSA-N 426.498 1.379 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 732155755 DVFZKTJYXUYOOW-XCHVRBFASA-N 437.283 1.989 30 10 IDEE COc1cccc(C[C@@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)n2nnnc2C)c1 734292032 AESWVNYDZIEKIJ-SFHVURJKSA-N 440.485 1.459 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCNC(=O)N1CCc2ccccc2C1 735912097 QYTSEXQFODKFPM-UHFFFAOYSA-N 426.498 1.662 30 10 IDEE C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 744545296 JJAURLOWJLLFRH-WFASDCNBSA-N 445.335 1.836 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl 747250362 KJOHEFMOZOMLGM-SNVBAGLBSA-N 440.326 1.591 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncccc2F)cn1 751688929 SRJNVXISGIFVIU-KRWDZBQOSA-N 447.540 1.637 30 10 IDEE C#CCN(CC#C)C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 752153895 ODGKUWDRSJHICG-UHFFFAOYSA-N 443.294 1.318 30 10 IDEE CCNC(=O)C1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 764072453 WLYKPOZHVJQWBG-NKFKGCMQSA-N 435.550 1.879 30 10 IDEE CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cn1 765144296 GWMDNDOSFSTLEM-UHFFFAOYSA-N 437.525 1.770 30 10 IDEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1 768422838 UVVITFJRVTWVBS-INIZCTEOSA-N 443.577 1.632 30 10 IDEE COc1ccc(C(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 769666658 ANSWDHBXIKZYMK-UHFFFAOYSA-N 446.481 1.949 30 10 IDEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCS(=O)(=O)C1 774171991 KLYCPKKUCUUPKW-JZXOWHBKSA-N 437.537 1.771 30 10 IDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)NCCCC)ccc1C)[C@@H]1CCS(=O)(=O)C1 799472498 UPKNPBXWJRALTD-MRXNPFEDSA-N 441.575 1.728 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCO1 812307114 BSERRVVAWZFIFN-GVDBMIGSSA-N 448.524 1.494 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3CC(F)(F)F)CC2)o1 812686795 ADOSKLGEIXSUNQ-AWEZNQCLSA-N 429.399 1.073 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCCc1nc(-c2ccncc2)no1 913219893 ZTQUZCYQQPCWOF-UHFFFAOYSA-N 441.469 1.736 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)[C@H]1CCS(=O)(=O)C1 918756740 XUEDTFLACFOXAZ-KRWDZBQOSA-N 428.510 1.878 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=Cc4cccc(Cl)c4)n3)n2C)n(C)c1=O 1083916196 JOUNPQQWGVRTFO-UHFFFAOYSA-N 445.896 1.339 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1133295062 HJWLHNYNKLJXDG-IRXDYDNUSA-N 441.488 1.889 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCCN1CCN(c2ncccn2)CC1 1136134995 LMFJVRDYFJVLHX-SFHVURJKSA-N 445.568 1.692 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)c1 1147411365 WFUMSGBPTAAPCA-LJQANCHMSA-N 440.569 1.819 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)cc2S1(=O)=O 1149469430 VRMABFUAPKMBOT-UHFFFAOYSA-N 440.481 1.286 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cc3cccc(I)c3)C2)c(=O)nc1O 1159489585 HUSIOLGUXRGKFX-UHFFFAOYSA-N 436.209 1.051 30 10 IDEE COc1ccc(CN(C)C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1OC 1166220929 GRGCZQZSFWKZQV-UHFFFAOYSA-N 440.500 1.228 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc3ccc(Br)cc3c(=O)o2)c(=O)nc1O 1167526731 CHTYKGJREIUWKO-UHFFFAOYSA-N 431.202 1.119 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2Cc2ccccc2Br)C1=O 1276459888 PRFIUJJUMUPDIT-AWEZNQCLSA-N 434.290 1.959 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1286390148 XVPXMEUBRWABNF-AWEZNQCLSA-N 439.339 1.214 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2COCCO2)CC1 1286472696 BYLZZCRVWXIBSR-OAHLLOKOSA-N 435.326 1.206 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCCC2)CC1 1286478386 FHEUVWWISHXFPL-UHFFFAOYSA-N 442.514 1.948 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnnn2C)CC1 1286492370 JDRDVJPJKDKEIM-UHFFFAOYSA-N 448.531 1.308 30 10 IDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286698954 LFCWQCIGIXVICY-QGZVFWFLSA-N 431.541 1.990 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1286787066 BKURSBNJBJXOFU-UYAOXDASSA-N 441.532 1.759 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286823894 RIJCMDOJZIKELS-AWEZNQCLSA-N 436.563 1.468 30 10 IDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)C(=O)/C=C\c2ccc(F)cc2)C1=O 1294118133 SWNQHUGNJWLTGB-WTKPLQERSA-N 438.415 1.540 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299328461 YFDVBHNBXOBOIX-VUAZUDAXSA-N 430.509 1.491 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1300274079 UHVRWXBBAJITFW-GGXPGOJBSA-N 425.555 1.074 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@@](=O)CC 1300471681 LKFSJYYMCFIPDS-PMERELPUSA-N 428.606 1.481 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1conc1COC 1300528319 ULWWIHPYKMDVSI-UHFFFAOYSA-N 443.467 1.448 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](CC(C)C)N(C)C)CC1 1300719569 HAEIYNNRNAHCHI-LJQANCHMSA-N 438.580 1.677 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300732105 KPHRUJFPSHQXGA-GOSISDBHSA-N 443.577 1.291 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300874513 MYFMHTXXWMHXNH-RTBURBONSA-N 432.569 1.957 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCCO)c(OC)c2)CC1 1301091776 MYRHWSCGHBPNOD-UHFFFAOYSA-N 441.532 1.985 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCSC2)C1 1301478524 MAWRWPZEUJPTCU-HXUWFJFHSA-N 427.534 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301492537 JPIYTOYNJYDJDX-KRWDZBQOSA-N 439.476 1.525 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2C[C@H](C)O[C@@H](C)C2)C1 1301538675 JYFYFNIQWMXOAN-NBOOPKSLSA-N 441.598 1.873 30 10 IDEE COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@H]1C 1301871782 PNRGLQFXUUKWLP-MRXNPFEDSA-N 427.509 1.184 30 10 IDEE CC(C)c1nnc(N(C)CCN2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302594226 BALMVJPWSXXJBL-MAAXNUDZSA-N 445.568 1.473 30 10 IDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1303900220 NPTUIESVBKNNQE-HNNXBMFYSA-N 429.502 1.626 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)NC1(C#N)CCC1 1307915626 VOPVLQZSJOTOEI-JSGCOSHPSA-N 432.443 1.402 30 10 IDEE C#CCC[C@@H](O)CNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1313039830 HYCKCRFHCHMPML-GOSISDBHSA-N 438.569 1.698 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C)C1 1314539989 AQUFRWWYIWYIPX-MRXNPFEDSA-N 432.550 1.713 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1315813566 QQNJKKFFZRVNSC-RBUKOAKNSA-N 442.495 1.629 30 10 IDEE COC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CCO1 1315955293 REKXDQLLCTYLBS-INIZCTEOSA-N 442.501 1.634 30 10 IDEE COCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1316112421 IPWTXWGEBOFWAN-JZXOWHBKSA-N 445.568 1.872 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)NC(=O)NC1=O 1322307866 IQGLUMMTOUWMRW-QFIPXVFZSA-N 433.472 1.040 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358871289 CJRSWKFXMOJLQS-GVDBMIGSSA-N 444.561 1.399 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1358906462 IMJAGPSQTUKGGS-INIZCTEOSA-N 429.546 1.819 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358940111 NZOIFBIWXPSUGL-NRFANRHFSA-N 432.546 1.593 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1358946423 UXAKPSDFPBFYGR-UHFFFAOYSA-N 449.559 1.497 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1358965097 NPUDKYPJTMSUOR-SFHVURJKSA-N 425.514 1.840 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1358980126 KLMMTBXWBAVBRK-UHFFFAOYSA-N 428.496 1.862 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCC)nc2)CC1 1359027949 BKUAAUGANBZDOZ-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC2(O)CCOCC2)CC1 1359044926 RUAOFMCVLAZZMC-UHFFFAOYSA-N 429.565 1.833 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1359059869 CXUOAOPHQJNMMG-CQSZACIVSA-N 432.575 1.338 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)NC(C)C 1359072799 QZXSKJYOBFYRRE-LJQANCHMSA-N 436.607 1.954 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccnc1N1CCOCC1 1359281836 KLTNBTOZUMABSA-IBGZPJMESA-N 428.537 1.701 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1359306452 GVCVOPWYGIKHAX-PKOBYXMFSA-N 438.532 1.921 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1359331160 OXNYSIWZUMCGGJ-UHFFFAOYSA-N 445.505 1.824 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1360474639 SJWFOXPNNHXCNO-UONOGXRCSA-N 434.522 1.711 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1438733742 DBYCJOTZVLYABO-LJQANCHMSA-N 428.514 1.847 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1445028126 JOVRQPIJISVVQZ-UHFFFAOYSA-N 439.852 1.507 30 10 IDEE C=CCC[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1449699574 RIFGZGZYPFBERV-OAHLLOKOSA-N 426.491 1.140 30 10 IDEE Cc1ccc(C(=O)NCCc2ncn(C)c2Br)cc1S(=O)(=O)NCC#N 1456428573 QMINFSFVVZYALN-UHFFFAOYSA-N 440.323 1.265 30 10 IDEE O=C(CN1CCS(=O)(=O)CC1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456594482 UCEUPHXCVXIBLU-DTORHVGOSA-N 444.344 1.346 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)CC1 1471451522 VMBCYDJAOXDOJF-UHFFFAOYSA-N 448.545 1.163 30 10 IDEE N#CC[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(F)(F)F 1471960105 MWLFOGHQWUPEEF-OAHLLOKOSA-N 435.424 1.867 30 10 IDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOCCS(N)(=O)=O 1478782280 IEANICKJWUTIAK-UHFFFAOYSA-N 438.319 1.591 30 10 IDEE COCCN1C[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CC1=O 1504901918 WKYOSDJCISTUCF-LSDHHAIUSA-N 443.508 1.239 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1507524663 CEUKZZMTLRZOBV-MRXNPFEDSA-N 444.586 1.653 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1507615913 CSWWHYRTSOSEEN-GJZGRUSLSA-N 430.530 1.630 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1507622419 IUCLGZAUOMAJBX-QGZVFWFLSA-N 447.561 1.750 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507632333 ZEKSJBYIJDPWPW-QGZVFWFLSA-N 444.561 1.303 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC(=O)N2)n1 1507717848 ZXMWNJPBMZQLLM-GOSISDBHSA-N 448.531 1.410 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1508070949 GSPRQNXSYJMRSX-SFHVURJKSA-N 442.495 1.533 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1508104563 JKCCDIWTNQEOAH-WBVHZDCISA-N 435.550 1.727 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)C1 1508122234 CVUIXACYCOUCMU-UONOGXRCSA-N 438.579 1.424 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1508174219 FFWMLUMKCVYDLW-UHFFFAOYSA-N 444.561 1.699 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1508405513 GBUYJAFJYCRTTO-MRXNPFEDSA-N 445.549 1.088 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1509712166 FWOLRIZIASXMOX-OALUTQOASA-N 435.532 1.979 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1509955781 UIHHTBXGDBVQAS-OWCLPIDISA-N 437.504 1.470 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1515676081 LDEATDRDJWXPIE-UFVMTTLYSA-N 437.504 1.872 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1 1515760869 QYRPNCXLQJFXFS-UHFFFAOYSA-N 431.522 1.524 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C1CCC1 1518479450 JAQPYBIHYJKXDU-LJQANCHMSA-N 438.532 1.913 30 10 IDEE C#CCN(C(=O)c1cc(Br)cnc1Br)[C@@H]1CCS(=O)(=O)C1 1537469368 QDDXHWDIWGBHQK-SNVBAGLBSA-N 436.125 1.869 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1539034746 ICSSGDSHHJFOEC-JLHGSKIFSA-N 432.569 1.875 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](COC)OC)c1 1539043901 WCAYARFROKSMEZ-QUCCMNQESA-N 441.532 1.890 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1539120679 YHTQVZWUEQLMRQ-AWEZNQCLSA-N 432.468 1.941 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1539126564 YJEQMMPVWJGXJY-KRWDZBQOSA-N 448.568 1.961 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539193604 GPHLKYDGIMUXRS-LJQANCHMSA-N 434.548 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1539443984 DLFPSFRDDGOUGS-UHFFFAOYSA-N 445.453 1.949 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4cccc(C#N)c34)CC2)C[C@@H](C)O1 1540846490 ZJXWYIIWOVRNLA-HUUCEWRRSA-N 431.518 1.151 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1540864194 SEFFWDJLQRWBGW-BGYRXZFFSA-N 436.516 1.954 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)[C@H](C)C1=O 1541557522 FBSZXCKGWFMGKD-MRXNPFEDSA-N 433.520 1.687 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCCN1CCC[C@H]1CO 1541655319 WSYPLTLDYCRADN-IBGZPJMESA-N 431.585 1.783 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCn1ccnc1C 1555545095 BLZKFGULUJUBCP-HXUWFJFHSA-N 448.531 1.959 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1555558517 VQBGLCMTGXUSBI-SQGPQFPESA-N 443.504 1.697 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1555992737 ARZODZPPJPYEIY-WFASDCNBSA-N 447.858 1.455 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)COc1cccc(Br)c1C#N)C2 1558750471 HIAKPLMXLGBOBS-CQSZACIVSA-N 447.293 1.099 30 10 IDEE C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)CC1 1559559461 RRUJZSCAVQVHQB-IBGZPJMESA-N 446.979 1.337 30 10 IDEE COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1561379242 CMMXCLZLDSVRBE-LBPRGKRZSA-N 449.920 1.996 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCCOCC)CC2)c1 1565619554 SMKYOWFEHZPNGQ-UHFFFAOYSA-N 434.558 1.879 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1570654115 AUTPLQRAMVJAQL-HNNXBMFYSA-N 437.928 1.865 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)ccc1F 1570741581 LZSWGDWTBUMZBT-LJQANCHMSA-N 444.492 1.535 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(OC)CCOC1 1588094242 WFFUMRBLXIXRTQ-QHCPKHFHSA-N 440.500 1.849 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)COC)CC1 1588811638 LGXQRTQUEHPARO-LJQANCHMSA-N 438.580 1.490 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCCS2(=O)=O)CC1 1588848920 QXHQMOONLNSTMO-OAQYLSRUSA-N 441.601 1.900 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589528229 DQYGTVVARBACIY-ROUUACIJSA-N 430.553 1.310 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1CC1(O)CCS(=O)(=O)CC1 1595083794 HBGJDFDVAXINMU-UHFFFAOYSA-N 434.562 1.981 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595555806 HOXCSQJNTACKIO-NRFANRHFSA-N 438.576 1.781 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)c2ccccc2C1 1595788918 KPVLDKPAINRAPR-QGZVFWFLSA-N 444.561 1.286 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1595830888 IWKVCWBIYCTFMJ-HXUWFJFHSA-N 449.508 1.908 30 10 IDEE Cc1cccnc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1612316755 QVPZNWKBGCTBOK-UHFFFAOYSA-N 432.488 1.703 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H](CO)CN1CCOCC1 1617388886 YGJDQSDQQUNJNR-ICSRJNTNSA-N 444.532 1.202 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1620077588 ULCKFOMTQQQXLJ-WIYYLYMNSA-N 440.548 1.637 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CCN1S(C)(=O)=O 1620313391 LBSJQTGBSUOQKF-QFBILLFUSA-N 442.545 1.632 30 10 IDEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCSCCCO)cc1 1620349731 RVSMIHBXRXKXPJ-ROUUACIJSA-N 426.546 1.647 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)CC1 1622915587 ZRLNZOLBNGUIPJ-QGZVFWFLSA-N 447.561 1.318 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1626637969 AANRNHRSCYWDHH-ZIAGYGMSSA-N 436.534 1.535 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3ncc(Br)c3C2)s1 1629415851 NKWPJGYYQNRMLM-UHFFFAOYSA-N 445.364 1.756 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1636512653 NYGSBAKLJCNMNQ-QAPCUYQASA-N 448.545 1.530 30 10 IDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C2 1640059050 MWUYUJYKIUXHAZ-HKUYNNGSSA-N 431.901 1.878 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1640084656 DJSSLOASSMTFSX-GDBMZVCRSA-N 428.489 1.662 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 1640844369 CORSPHXRHVWCAU-JYJNAYRXSA-N 440.525 1.708 30 10 IDEE Cn1cncc1[C@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1642428007 VJQYGNAUEOAJNC-HKUYNNGSSA-N 425.489 1.976 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 1643540278 PRBCORITIXMDOV-UHFFFAOYSA-N 427.482 1.864 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)C1CCOCC1 1645987763 URIXURCOCUOMCM-QZTJIDSGSA-N 440.949 1.418 30 10 IDEE C#CCN1CCN(C(=O)CN[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)OC)CC1 1648237468 DXCOOSVHRRPSKY-QGZVFWFLSA-N 427.423 1.036 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 1655680412 FBPAOTIYBQLURL-UHFFFAOYSA-N 425.576 1.612 30 10 IDEE COC(=O)[C@H]1CN(C[C@@H](O)COc2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1655704987 WUCHBCWCXIFIHR-QZTJIDSGSA-N 445.516 1.640 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC(OC(=O)N(C)C)CC2)c(C#N)cn1CCOC 1670021631 FLFGRDPMVWZNCV-UHFFFAOYSA-N 435.481 1.877 30 10 IDEE CCN1CCN(c2ccc(Cl)cc2NC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1672623391 AAYJJXDUXLQCJV-UHFFFAOYSA-N 445.911 1.438 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1675614837 PNIIQPKIBCEPEB-UHFFFAOYSA-N 438.525 1.052 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)CC1 1680304412 NALUWUMFOPPMAJ-UHFFFAOYSA-N 448.545 1.632 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993000 SUGBALLKHGONBR-RTBURBONSA-N 445.589 1.952 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCOC2)CC1 1690117722 SPIHASTXQFRENS-OAQYLSRUSA-N 431.924 1.514 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)N(C)CC)CC1 1690148666 OPQISOIGWLYETF-UHFFFAOYSA-N 440.523 1.452 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1690246993 YMLCLSQBCKIKHN-RYRKJORJSA-N 432.550 1.588 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](COC)C1 1690251051 ORKCGJVUFRKECC-ZJOUEHCJSA-N 430.553 1.973 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N1CCSCC1 1690264479 VOANGNKYVLLJQP-OAHLLOKOSA-N 442.611 1.010 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1690677348 VEWUODCBZDBAIN-QHCPKHFHSA-N 446.596 1.687 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690722600 OYHQJCHYSWFUSM-CHWSQXEVSA-N 430.456 1.971 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(C)(OC)C1 1690723970 FIIUUIKTHKNEQT-KRWDZBQOSA-N 434.518 1.617 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)C1 1692845258 VBKYQTOWXYSIIJ-JOCHJYFZSA-N 427.553 1.951 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1696492257 LGSFLMRSPGCYLU-UHFFFAOYSA-N 430.534 1.250 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1705474119 CMQZMHQZYSCJPA-ZBFHGGJFSA-N 449.964 1.754 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cc(C)no2)c1 1705504259 RCQYEKBZJDMQSD-UHFFFAOYSA-N 435.488 1.817 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705588695 IUMLCGWAWZLSIF-QRVBRYPASA-N 434.610 1.472 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1705632546 SZPMEYTUEZBANX-JOCHJYFZSA-N 436.604 1.946 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(C)CCCO2)CC1 1705645669 ZSWBSZBLDMTUDW-JTSKRJEESA-N 433.553 1.537 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705896247 GQNICQYIKIKLLF-NRFANRHFSA-N 445.545 1.271 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCOCC1 1705936143 KQUABPXFDPLPIH-SFHVURJKSA-N 434.518 1.618 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1706044564 WKXCTMVRJDMXCE-UHFFFAOYSA-N 434.508 1.246 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCN(C)C1 1706420111 CSXOCBUSJKWIJM-QHCPKHFHSA-N 441.555 1.881 30 10 IDEE C#CCN(c1nnc(C)n1CCCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1722363580 GOGXFJOFIKNOCY-OAQYLSRUSA-N 427.574 1.662 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)nn2C)CC1 1722432751 CRLJCRBZNZVXEE-UHFFFAOYSA-N 443.353 1.881 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1722446552 DAOHMZLJBKKFDE-GOSISDBHSA-N 425.489 1.409 30 10 IDEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1722629735 XMVHWCHGBMUEGK-UHFFFAOYSA-N 437.541 1.682 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722698771 LZEXXXLFYYFSLS-PMPSAXMXSA-N 439.582 1.122 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccco1 1722730251 MQVZNNSUTQUADR-INIZCTEOSA-N 433.534 1.936 30 10 IDEE Cc1ccn2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CC[C@@](F)(C#N)C3)nc2c1 1724247037 GWFGBOQRESQKKU-AUUYWEPGSA-N 446.512 1.335 30 10 IDEE CC[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726896121 YHZCNFTUUXMNIU-OSCRUYLVSA-N 431.541 1.086 30 10 IDEE CCCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1=O 1728156544 YJFYCCOXWLZZIO-HNNXBMFYSA-N 446.533 1.142 30 10 IDEE CNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729616124 YSCFXYJCRIBTBL-UHFFFAOYSA-N 446.515 1.571 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CCO1 1731186224 AZEXWZJHXDMAEO-KRWDZBQOSA-N 446.895 1.098 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1740583726 XKEDCNNBLTUWBD-MRXNPFEDSA-N 444.561 1.959 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740622169 ADNLUJOMEZABBL-FQEVSTJZSA-N 441.557 1.983 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1COc2ccccc2O1 1740680169 TUHLAHGMVUTGPY-JPYJTQIMSA-N 442.516 1.856 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc([C@@H](C)O)cc2)CC1 1740699182 XAWVNSORODOFSJ-HXUWFJFHSA-N 433.560 1.997 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(N)=O)C1 1740743026 JICLLIOETLRNJL-KRWDZBQOSA-N 437.298 1.616 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1740863558 AREKNSBMBYIHLW-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1740931356 KGXAMSNMPHFHBE-NRFANRHFSA-N 432.546 1.606 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1740957888 CXQIRLBXGGJDBH-CVEARBPZSA-N 443.577 1.989 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](COC)C1 1740988448 FAHLMQSFRBRWRF-OAHLLOKOSA-N 441.941 1.446 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1741002738 LQOLPPXYNNDIGC-GOSISDBHSA-N 436.626 1.738 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1741044286 BIIQQJDLUASVRA-UHFFFAOYSA-N 437.548 1.332 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748812187 RQOWCVYPXNVEPX-QGZVFWFLSA-N 444.561 1.569 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1748814325 DEDLJGTVYRCESW-YZVOILCLSA-N 437.591 1.142 30 10 IDEE C=CCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749439856 LAQQMYIPZMONQZ-HSZRJFAPSA-N 447.580 1.972 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1750390121 FPKNOIZIFMDRLY-SFHVURJKSA-N 439.495 1.928 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1751107265 YQKPPSHBSLIPFN-MAUKXSAKSA-N 428.493 1.234 30 10 IDEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cs1 1751426084 YRYFKPKRNMZHIZ-BBRMVZONSA-N 438.579 1.625 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCOC2)c1 1760128416 HPDWYSDUULOGBI-WZONZLPQSA-N 439.516 1.380 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760143836 UFKWFVKGHJNCTC-UHFFFAOYSA-N 439.520 1.623 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@H](C)C1 1760172965 FFCJNTXQRXFPLK-GOSISDBHSA-N 445.589 1.919 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1760189211 SMEQYNISYYDCQI-SJORKVTESA-N 447.948 1.558 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760206601 GAOMWCAYCUZPGA-JOCHJYFZSA-N 446.555 1.374 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1760210304 QBCSTXGSCMHRLO-VQIMIIECSA-N 447.536 1.878 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2n[nH]c(C)n2)CC1 1760261959 FJXODOINGURXOY-UHFFFAOYSA-N 426.475 1.572 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cscn2)CC1 1760525629 LVBLBVQVLZSFED-UHFFFAOYSA-N 438.561 1.345 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1760527187 OMHBNYQRFYXGPS-PMACEKPBSA-N 425.533 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(F)cc2C1 1760554187 UWMXVXWOHSHTRT-UHFFFAOYSA-N 430.509 1.981 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765248530 PVBGQZQIPVXDNT-BKBKCADHSA-N 447.499 1.958 30 10 IDEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1771124350 HPFWAYFFDMJOOL-JKSUJKDBSA-N 440.508 1.159 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1771251614 UARBGZCYKYZQQB-NQIIRXRSSA-N 440.548 1.779 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2C[C@@H]2C(=O)NCc2ccccc2)CC1 1852445753 YKKRDNBRCUUFOP-SFTDATJTSA-N 433.512 1.571 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCO[C@@H](C#N)C2)cc1 1852748148 BMBNSFRRENNMIG-AZUAARDMSA-N 429.498 1.336 30 10 IDEE CN(c1ncccc1CNC(=O)C1CCN(c2ccccc2C#N)CC1)S(C)(=O)=O 1853015288 JHRYVRJNRNDYRF-UHFFFAOYSA-N 427.530 1.882 30 10 IDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2csc(-n3cccc3)n2)C1)[C@@H]1CCN(C)C1=O 1857252393 DHSDXNQTIFBXTL-DOTOQJQBSA-N 427.530 1.641 30 10 IDEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520379 MXPBZDGVBBMKLM-UHFFFAOYSA-N 447.540 1.931 30 10 IDEE C=CCn1c(C(=O)NCCc2ccc(OC)cc2)cc2c(N(CCO)CCO)ncnc21 1873593319 ATECMWRPPSFLCV-UHFFFAOYSA-N 439.516 1.389 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CC1 1890389156 NRKKYGRAZQDATR-UHFFFAOYSA-N 445.507 1.524 30 10 IDEE C#CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(Br)c1=O 2172898179 BPNSMXSEMLIKPN-OLZOCXBDSA-N 441.326 1.669 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2244607843 CVGDCXVASKIQPC-UHFFFAOYSA-N 425.526 1.733 30 10 IDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1)B1OC(C)(C)C(C)(C)O1 2247985774 MJKKINBCOFSOSI-HNNXBMFYSA-N 446.375 1.417 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255708010 DPCTWAGQYXMPDK-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2259345098 CGYYUAFMACQDTN-ZFWWWQNUSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)NC(CF)(CF)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2263505432 HFDAIBARVVEGMS-UHFFFAOYSA-N 442.272 1.917 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266998230 GAANNARXNIMLGT-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2267277642 RTDCHWIULJWHDG-UHFFFAOYSA-N 449.357 1.861 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2267550488 ZWMFBHGEHACUGF-OAQYLSRUSA-N 449.361 1.491 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2267572088 QRPGKJCWFDZMGH-TZMCWYRMSA-N 443.275 1.853 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)[C@@H](C)C1CC1)NC(=O)OCc1ccccc1 2286056104 RZUNNUKXABGJIW-MAUKXSAKSA-N 437.518 1.798 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334265381 GRDPVNAMLNGTIF-MGPQQGTHSA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2337247716 RRQAHNYNPGGNHL-UHFFFAOYSA-N 448.329 1.142 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@@H]1NC(=O)C(F)(F)F 2337288997 DNHGIZPGXVXMKS-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1/N=C/c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 12174441 VLLQYXRHVIIXOF-ICEHSPQNSA-N 428.681 1.666 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@H]1c1cccnc1 72472470 XTYDFNHZGPMQKR-PBHICJAKSA-N 430.424 1.533 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 461844639 TWNZTRWZNDHWRM-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)C1=O 466507719 YDVRXVPHSRNQTD-IBGZPJMESA-N 434.562 1.396 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)n1 479388252 RZOOQCGVRWPELF-UHFFFAOYSA-N 438.484 1.469 30 10 IDEE CC1(C)C[C@]1(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 484914070 UNAPHXWRCOOHEN-MRXNPFEDSA-N 428.308 1.611 30 10 IDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 509003543 XPNJIEFVQUNBKC-SFHVURJKSA-N 449.519 1.182 30 10 IDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 546971043 VIZKKILLRSACQI-OAHLLOKOSA-N 429.454 1.353 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 563577251 GULAHFGNZLJQAD-UHFFFAOYSA-N 449.920 1.239 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NC2CCCCC2)nc1C 586352155 UUVZPGCWNBEVMD-NDEPHWFRSA-N 427.548 1.930 30 10 IDEE N#CCN1CCC(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CC1 589400098 FUMDOECICRNRKB-RPEUOYKBSA-N 444.535 1.570 30 10 IDEE C#CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[C@H]1CCS(=O)(=O)C1 729331495 NWKTUFCBAOZROG-SFHVURJKSA-N 430.486 1.719 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cc(Br)c(F)cc1F 731851106 HIJREWDYZQEWGL-YPKPFQOOSA-N 436.234 1.532 30 10 IDEE COc1ccc(COC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1C#N 747065841 UVTCLTDHLRNQQJ-HNNXBMFYSA-N 429.454 1.311 30 10 IDEE C#CCN(CC#C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 752150726 KTEWHPWMQFCQBM-UHFFFAOYSA-N 442.541 1.105 30 10 IDEE CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 752204661 XFWGDMGJYPYGDC-HUUCEWRRSA-N 442.559 1.794 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 753060907 LHTOUBQQIBXPSW-KQDRKICRSA-N 439.447 1.732 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CN2CCN(Cc3ccccc3)CC2)[C@H](C#N)C1 756888330 ACUAMEOFZIBRPI-WOJBJXKFSA-N 427.549 1.679 30 10 IDEE CCOC(=O)c1sc([C@@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1C 757006203 BRFRSIWJGLMVSX-LLVKDONJSA-N 436.515 1.544 30 10 IDEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 763433951 GXELBEIZEACGCZ-SFHVURJKSA-N 448.548 1.878 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 783538947 FVMHHONTNNUSKS-IBGZPJMESA-N 426.494 1.611 30 10 IDEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCC1CS(=O)(=O)C1 786688655 VOJLSBQOKBIOOY-KRWDZBQOSA-N 446.554 1.593 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)ccc1F 802243948 JPGAIDYXKXCKMW-QAPCUYQASA-N 426.510 1.588 30 10 IDEE C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 803923427 NCNDPQSKYXGLQD-LBPRGKRZSA-N 431.445 1.947 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 809889980 QVDPRAFFRDRTOX-QVKFZJNVSA-N 432.525 1.489 30 10 IDEE C#CCN(C)c1cnc(-c2noc(CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)n2)cn1 813340042 OEKXCZJUCYNDGQ-FQEVSTJZSA-N 443.467 1.572 30 10 IDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)cc(OC)c1OC 1142684909 CUQVBDOWZZBYHL-HOTGVXAUSA-N 448.520 1.944 30 10 IDEE CS(=O)(=O)NC1CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1147746349 HIZMYMGGYNNAFU-UHFFFAOYSA-N 444.538 1.663 30 10 IDEE C#CCC[C@@H](O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1155521578 UIVSWRBAGVIKAU-OPAMFIHVSA-N 449.507 1.660 30 10 IDEE Cn1cc([C@@H]2C[C@@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cn1 1159681121 AABRBOJEGNBTIT-UHOSZYNNSA-N 436.472 1.533 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 1251322920 OKSUKDPVJDGJFF-GPMSIDNRSA-N 435.521 1.710 30 10 IDEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1269094697 PYMJDLQSIKNFPD-RTBURBONSA-N 433.468 1.237 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1286288602 HZJXYYHFWGRIDD-LSDHHAIUSA-N 440.529 1.877 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286383790 OBFKNTKIBUELHH-LJQANCHMSA-N 445.589 1.921 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1286393079 JKSKQUWDOLUQJJ-LJQANCHMSA-N 445.589 1.953 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1286464453 BAQJIOWCDDNKHV-RBUKOAKNSA-N 428.537 1.659 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1286524302 FVNKWEGWQHIRRY-XMMPIXPASA-N 437.544 1.923 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nncn2C)CC1 1286655830 STSXRENAJOLWEV-UHFFFAOYSA-N 427.534 1.928 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286789493 HHVMYEXRUVOJDN-HNNXBMFYSA-N 447.565 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnccn1 1286816850 MGZXRNCUDXNOMN-UHFFFAOYSA-N 442.501 1.701 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCc1cnn(C)n1 1288187383 UUFQYMCKFHCXTD-QUCCMNQESA-N 447.547 1.921 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@H]2C)C[C@H]1O 1299420846 MGGUQDQKEJNSQC-KLICCBINSA-N 425.489 1.745 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)c1 1299950926 FSELUJGFADYOSF-JXFKEZNVSA-N 442.520 1.412 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1300573192 DOKVGNRFAZULNI-ICSRJNTNSA-N 438.532 1.865 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1300577838 COGSPLITOAGJAA-IBGZPJMESA-N 428.562 1.628 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1300756017 CCAWLLCERWFJFK-AWEZNQCLSA-N 439.545 1.259 30 10 IDEE C=CCCOCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301259405 LDKJOYDEDXVNQO-VXKWHMMOSA-N 433.553 1.628 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1301447511 ATNQVMXDMXNHEI-QRQCRPRQSA-N 439.520 1.718 30 10 IDEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 1301468366 DXRPZWQPYYDEAF-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301501951 AERSAEVKQLRWQD-VQIMIIECSA-N 440.504 1.198 30 10 IDEE C=CCSCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1301619942 ALOYFLYJKZLJBC-IBGZPJMESA-N 444.623 1.863 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301717977 XZHGKRURFSMXIV-RBUKOAKNSA-N 440.504 1.899 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1303042728 LQYVQZABPLRCTC-IRXDYDNUSA-N 437.562 1.513 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1303065532 FTBXEXRSWWFVSI-UHFFFAOYSA-N 436.538 1.817 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)N(C)C 1303737806 QIKHMYFSUDSNRD-OPAMFIHVSA-N 439.520 1.710 30 10 IDEE CCCS(=O)(=O)N1CCC(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1303877282 OZXYKSSGGIGFHU-UHFFFAOYSA-N 441.594 1.957 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1358897991 KIEJYOGNITZPPG-MRXNPFEDSA-N 433.534 1.359 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1358920081 ROQGOIXDNFGUFP-DLBZAZTESA-N 439.582 1.324 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1358955669 QVHKYLXHRQGFGC-MSOLQXFVSA-N 435.594 1.461 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1358960473 FPGLLYIAWXCRJK-QGZVFWFLSA-N 442.570 1.974 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358961152 SHHAUAYXRYXHCB-ULQDDVLXSA-N 430.534 1.034 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358965136 OOMADGBOGCHASK-FQEVSTJZSA-N 444.605 1.621 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnn1 1359007638 PPBMPFXFZDIEPS-UHFFFAOYSA-N 431.504 1.816 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1359019664 CBYJFSCVDFTRAE-MRXNPFEDSA-N 448.545 1.483 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1 1359107027 AMZPJQLUCBFYNO-INIZCTEOSA-N 428.603 1.402 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1359304088 KWCSBHRZADWBKD-SFHVURJKSA-N 440.548 1.739 30 10 IDEE C=CCCn1cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nn1 1360595973 LVTIFUJTBUUPLK-UHFFFAOYSA-N 449.533 1.455 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3OCC)CC2)c1 1475685521 MWNKFVULIFXAFZ-UHFFFAOYSA-N 430.530 1.907 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)n1 1479134198 RXLUTLGXEDVTIU-HSZRJFAPSA-N 439.560 1.884 30 10 IDEE CCc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1498883590 HKTCRRWCULXWIB-VXPUYCOJSA-N 443.552 1.450 30 10 IDEE COCC1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1504617424 BCFIIQGZUSYJDB-HNNXBMFYSA-N 433.534 1.946 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1507537699 IZWKBRXHZPPICV-DAYGRLMNSA-N 427.596 1.355 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635805 VRXXRHCSURDFHE-SFHVURJKSA-N 433.578 1.164 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)on2)CC1 1507718325 OLNYBTDKRRXKKJ-UHFFFAOYSA-N 440.529 1.449 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnc(C)s2)CC1 1507720785 WPBHUOOFJPHXLU-OAQYLSRUSA-N 430.578 1.887 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1507764262 KWZUQRHHCSRKIL-HGHGUNKESA-N 434.610 1.897 30 10 IDEE C=C(C)Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1507835183 OWAWAKCHUBFOBE-HXUWFJFHSA-N 441.598 1.757 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507846512 NTIAIAYDSGQCAD-HXUWFJFHSA-N 440.548 1.684 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507959779 IFRNYRIANXKZAY-GOSISDBHSA-N 441.536 1.643 30 10 IDEE C=CCn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1508066745 FAZWENMOQHLJBC-OFNKIYASSA-N 427.549 1.972 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1508417137 HPLOAHKPGCPKKS-IAGOWNOFSA-N 443.552 1.839 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@H]1CCOC1 1510152462 BWDZZFVYPJIDMH-HOTGVXAUSA-N 432.550 1.823 30 10 IDEE CCOCc1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516554496 VEJPKUGUVWNHPR-SGRLSNSRSA-N 443.552 1.406 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1519420741 REJIZVZKDFCGOI-YQPJHWBJSA-N 430.509 1.375 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CC(OCC)C1 1539023717 WMKTUCUIJGGVQZ-RNQSCQIESA-N 438.576 1.992 30 10 IDEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539086302 DPNUARIBTJCUBC-HXUWFJFHSA-N 439.582 1.204 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539273493 UXIBVOAYJAJEDK-QGZVFWFLSA-N 428.537 1.634 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(C)CC2)CC1 1539428227 NYECGQIUZSAGNS-UHFFFAOYSA-N 427.597 1.391 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN(CC)S(C)(=O)=O)CC1 1539437857 IEIABLOIRWXNFJ-UHFFFAOYSA-N 434.566 1.273 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1539441478 QDJCJDYQYOEMQW-GOSISDBHSA-N 438.532 1.386 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539517190 JRRVHQXWLFAXBR-MAUKXSAKSA-N 427.530 1.824 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1540047210 FMTUGFCUZLMANL-MRXNPFEDSA-N 434.566 1.395 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SCC)C1 1540871598 PEHBQTFDEHIBEO-JKSUJKDBSA-N 441.623 1.594 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1540871967 YSPHWNFGGVHSCY-CQSZACIVSA-N 432.912 1.813 30 10 IDEE CC(F)(F)CCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541897450 JMJFHFGPFPWASV-UHFFFAOYSA-N 431.447 1.981 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCC[C@@]2(C)NC(=O)NC2=O)n1 1542720370 LSRHEBRSZNRBLY-QGZVFWFLSA-N 435.535 1.507 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1547321246 RVAFSKBLJYGJBP-GOSISDBHSA-N 449.519 1.640 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1555280322 GBVAMBZYYJDPQA-MRXNPFEDSA-N 432.456 1.602 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2C[C@H](F)C2)C1 1555813331 MVPJAAKPPZAMGV-ADAWSYLGSA-N 444.508 1.191 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)cc1 1557449824 XUTZLEGZIDMVKA-UHFFFAOYSA-N 449.554 1.939 30 10 IDEE COC(CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)(OC)c1ccccc1 1557735422 JOHCDTSOYDRGEM-HNNXBMFYSA-N 431.514 1.766 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NOc1cccc(C#N)c1 1557921460 XFQPAYSBOJFJAR-QGZVFWFLSA-N 435.889 1.855 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)C1 1560221721 FOQCTWIUUIGWIV-FQEVSTJZSA-N 430.549 1.729 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1587585852 PMPZBNQHOMAHQE-UHFFFAOYSA-N 432.296 1.033 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1587864776 APIXVBZYSCAXMQ-IBGZPJMESA-N 426.542 1.918 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1587984932 OLSSGIRDWFHMPY-KRWDZBQOSA-N 443.577 1.346 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588039630 BADYHCBVBDZWCQ-KRWDZBQOSA-N 449.964 1.750 30 10 IDEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1cccc(C#Cc2cccs2)c1 1588142372 SECAQFLYRIQJND-UHFFFAOYSA-N 433.555 1.921 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1589048187 XGRUUJFIAMYYSQ-UHFFFAOYSA-N 431.529 1.695 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1589069412 KTEJONBLLMOESL-MRXNPFEDSA-N 439.563 1.207 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC1CC1 1589406656 YTLLHOKVZLFDSD-CQSZACIVSA-N 433.372 1.952 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1589481852 CVUWCAMQDMVKPT-NXOAAHMSSA-N 441.598 1.655 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589515788 RZSYNPMMIJRRQU-FHWLQOOXSA-N 446.577 1.839 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(N)=O)C1 1589581734 WCDCFSLEWXJVFX-CXJSAQCFSA-N 433.553 1.685 30 10 IDEE C=CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC)c1ccccc1 1594543945 FQXKWLDRNZONHS-ROUUACIJSA-N 435.550 1.969 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1594784147 SEPIKZNILFTQKJ-GOSISDBHSA-N 434.585 1.699 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1595217696 AVTGGAHHRNCEJC-QGZVFWFLSA-N 432.506 1.302 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1595506712 KGZQWUSECGWUEZ-GJZGRUSLSA-N 439.549 1.553 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(c2ccccc2CO)CC1 1595543903 BIHOZQCPSXLHEU-IBGZPJMESA-N 425.533 1.961 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1595789548 WOTYRODGACKSGS-UHFFFAOYSA-N 443.489 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC)C1 1595824066 WGDDINHEMJJVLY-IBGZPJMESA-N 445.545 1.945 30 10 IDEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1597588639 BGRDRBIEYMUWJL-UHFFFAOYSA-N 425.493 1.668 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)cc1OC 1611489986 XCXFAUOSMCJHFQ-HXUWFJFHSA-N 437.518 1.246 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccccn1 1617385463 BOUHPMGEHXYSCL-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)CC1 1618244223 QBVGGVDTGKUPLI-OAQYLSRUSA-N 435.525 1.124 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1619845121 PESHJEJZQYEQBC-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1620197600 GIBOYEHMUFPWGH-KFWWJZLASA-N 441.565 1.357 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(Br)c(F)ccc3[nH]2)CC1 1627015726 ZDSZBSGJAINKAZ-UHFFFAOYSA-N 435.297 1.967 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1630762537 WEYNYLHDYYGVDO-UHFFFAOYSA-N 426.498 1.357 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CC(OC)(OC)C3)[C@H]2c2ccccc2)C1=O 1631441015 GVHXYSJVWQAAKM-QGZVFWFLSA-N 427.457 1.316 30 10 IDEE COC(=O)c1cc(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)no1 1632882443 ZKTRZYKKSRUQOE-UHFFFAOYSA-N 431.470 1.654 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCN(CCOC)C(=O)OC(C)(C)C)cc1 1633317663 WVLVAHPKDAAZKF-UHFFFAOYSA-N 439.534 1.211 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCn4c(nnc4C(F)(F)F)C3)C2=O)cc1 1634046269 CCGGOZRFFICHBC-ZDUSSCGKSA-N 447.377 1.416 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 1635802123 KXYLWNSPFRJFEI-MRXNPFEDSA-N 443.525 1.901 30 10 IDEE C#CCOc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1636915453 FLJNTKCWPSIUJN-UHFFFAOYSA-N 444.509 1.845 30 10 IDEE CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)s1 1637919733 MQURPOXTPRTRJZ-UHFFFAOYSA-N 436.515 1.636 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1noc(C(F)(F)F)n1 1638686965 QBQBNVKFFNZAFS-VIFPVBQESA-N 431.396 1.785 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CC[C@H]([S@@](C)=O)C3)nnc12 1639104734 IPEGJBNSBNCJIB-FZTYZDATSA-N 445.570 1.738 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccncc1)C1(CO)CCC1 1642234314 LTRLNNFKHDQJRX-LJQANCHMSA-N 428.514 1.530 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1645002732 RZNMMNOHGFTAND-AWEZNQCLSA-N 436.534 1.631 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1645029150 FKMSEBPEUNDLGO-SFHVURJKSA-N 444.532 1.184 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC[C@H](CC#N)C1 1645300883 GDYIKEFKNZNRJP-QGZVFWFLSA-N 434.562 1.787 30 10 IDEE C#CCN(C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C1CCN(C)CC1 1646422425 WJFSNCWGZYBQBH-UHFFFAOYSA-N 442.585 1.970 30 10 IDEE CCOc1ccccc1[C@@](N)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(F)(F)F 1648921622 ITEQEFIDCGZLMU-GOSISDBHSA-N 437.378 1.019 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C1CCOCC1 1663235718 QWGYVPORHOXYEB-ZDUSSCGKSA-N 438.474 1.366 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)CC1 1669171388 CBNUWKKEJLMIFL-MRXNPFEDSA-N 433.534 1.113 30 10 IDEE C=CCn1cc2ccc(NC(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)cc2n1 1674577239 XULAPLJKDLMNLJ-SFHVURJKSA-N 433.534 1.881 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)nn1 1683482981 GSTNHXAFTJZSRY-LRAJWGHMSA-N 448.524 1.452 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1685643444 SONYUJKGAWXKMX-UHFFFAOYSA-N 441.557 1.666 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1689914775 CWMYELGTUYPLAC-HNNXBMFYSA-N 443.577 1.627 30 10 IDEE C#CCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689917696 CRNKSDUWDBMLHK-IBGZPJMESA-N 434.544 1.803 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1689947260 CTQOAVWYGDBGIS-NRFANRHFSA-N 432.546 1.840 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1689987865 DLJFDSNFIOVWLZ-RBUKOAKNSA-N 435.594 1.019 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1690071312 RTLMQRMWQUZFGQ-UHFFFAOYSA-N 439.545 1.626 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1C 1690072831 VWAJIXNTHDOBCT-UHFFFAOYSA-N 426.550 1.788 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCCN(C(C)=O)C2)n1 1690109230 LBCXVHJCUFZWDL-IBGZPJMESA-N 427.553 1.582 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690110236 DGVTVVQACYMFQQ-GOSISDBHSA-N 426.540 1.814 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OCC)c2)CC1 1690120357 RZCKOLHCAOBQAI-UHFFFAOYSA-N 435.532 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(OC)C2CC2)CC1 1690141779 CBQLGDBRJIZBGP-JOCHJYFZSA-N 425.537 1.460 30 10 IDEE C=CCn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690653458 SGCMXZRUHFIFJS-QHCPKHFHSA-N 448.612 1.885 30 10 IDEE CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690983040 WJQLNOLGMAXSGZ-UXHICEINSA-N 435.532 1.670 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1692661678 FLUJMLVTCHUXBX-UONOGXRCSA-N 436.504 1.803 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1OC 1696125329 DHKWPLSOAXAPAO-JLDZCNIISA-N 443.504 1.621 30 10 IDEE CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(C#N)o2)CC1=O 1696881769 ZLFHELIFPDUVKD-UHFFFAOYSA-N 430.266 1.827 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1696940148 GFPRLUPXZGCMSC-ZWKOTPCHSA-N 435.532 1.694 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)CC 1705480982 ZTQDKMFMTHVADA-ONSXPEOJSA-N 436.607 1.773 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2(C)COCCO2)c1 1705508141 QLQCQZUKCUFTQL-AUSIDOKSSA-N 439.516 1.991 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(C)(C)O)CC1 1705634007 GBHFWNBCJHKTNW-UHFFFAOYSA-N 435.370 1.962 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2csc(C)n2)CC1 1705634571 BVIIXHDFZVPIBL-OAQYLSRUSA-N 430.578 1.693 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705641285 YVEWSQFOYFMXPV-OYRHEFFESA-N 437.592 1.518 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1705669000 YUOIJAMOEOROBP-AUUYWEPGSA-N 440.570 1.405 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1705716436 LDBXDVSEOFQTSZ-SFHVURJKSA-N 440.614 1.499 30 10 IDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1705750429 BTLKGMQUPUCLGF-UHFFFAOYSA-N 432.912 1.637 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1705825249 NXPLJOWJEODQDG-KRWDZBQOSA-N 448.593 1.937 30 10 IDEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705847097 FNSLQDTYGMSKPU-FQEVSTJZSA-N 436.534 1.428 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705891864 ZQYJMVSHVDPAJH-SFHVURJKSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705907720 VEJAOSBCBFYCFM-HXUWFJFHSA-N 435.532 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705933029 RKCGADAPATZUDA-INIZCTEOSA-N 447.561 1.612 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706934555 BTMLAPKCYBOEAC-FMZSFSCUSA-N 439.520 1.829 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)cs1 1707755543 RJQBOUUAWPDGGO-KRWDZBQOSA-N 442.542 1.137 30 10 IDEE Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1707783457 AUMYWJDOBCBSHW-IBGZPJMESA-N 439.568 1.578 30 10 IDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 1711550196 GWXXHFYKCAKYKC-GOSISDBHSA-N 430.534 1.323 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1712696143 RJJCNISWJXTOLR-OALUTQOASA-N 445.545 1.494 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 1722281926 AZYOQQDTSGMCED-SFHVURJKSA-N 438.576 1.879 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1722323205 BSOHAUPUQPGQKQ-YDZRNGNQSA-N 434.610 1.612 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)(C)C 1722400872 CLBRJQUJVPWRAK-UHFFFAOYSA-N 440.573 1.895 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1722428489 GJIWPBIIYYGMJR-LJQANCHMSA-N 432.546 1.461 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1722436802 GAGZBGVNPKKUIQ-SFHVURJKSA-N 442.530 1.885 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2cc(Cl)cn2)CC1 1722440240 GRCXDFQUJDAUTH-UHFFFAOYSA-N 427.944 1.445 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722460847 ZUSHDXPCLVBLEK-MOPGFXCFSA-N 448.637 1.575 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1722473667 GZNQNDWSWLLORC-NIGURAHDSA-N 426.608 1.720 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1722538496 YGLPOJVEPBKARE-KRWDZBQOSA-N 439.582 1.125 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C)C(=O)[C@H]1C 1722693286 JFOJRIHJGCLTJD-OAHLLOKOSA-N 434.504 1.304 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cnc(C(C)C)nc1 1722728848 ZIOIIAJAVXUVGK-UHFFFAOYSA-N 442.549 1.886 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722867551 GWVQLNIVPYFFGB-LSDHHAIUSA-N 432.554 1.142 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(C#N)o1 1727221321 KDGSQJIHJUKCMT-CQSZACIVSA-N 427.509 1.766 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1731017607 ZFLYBVILNJTTLH-OALUTQOASA-N 444.561 1.619 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)NC 1740605932 ZEJVUSKVVTWCSJ-UHFFFAOYSA-N 430.303 1.465 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740621001 ZEYYEAKAQMVHHP-KRWDZBQOSA-N 445.545 1.105 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)N(C)CC)CC1 1740692366 IWQRCLSEJMPQJF-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740745275 QQCVQMMNIQAQJN-CYBMUJFWSA-N 425.331 1.858 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2O)C1 1740747537 MZLGHEAJIOZUDS-UHFFFAOYSA-N 433.310 1.972 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740766432 HYEYDKKQQNQNHP-LPHOPBHVSA-N 441.598 1.656 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740809334 FPERSAHCBHNOKZ-LBPRGKRZSA-N 434.850 1.877 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740951489 GZTHMHZBSBXBRO-MRXNPFEDSA-N 442.568 1.918 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740960415 RCGMYCNHIYXANW-HOTGVXAUSA-N 430.484 1.666 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740963530 NUKPNCUDKDFTLD-XMMPIXPASA-N 449.559 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740989772 XPTXVUGWYHXCRZ-QGZVFWFLSA-N 432.550 1.293 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1745888156 BPLHJDCWKYFMPS-IBGZPJMESA-N 433.516 1.873 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCCc1ccccc1 1748640768 ADYPHAWQZIIWNX-FDDCHVKYSA-N 425.533 1.747 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1748930098 XOCJWFBPOUTUIJ-LJQANCHMSA-N 436.626 1.057 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1749094960 ALXCPSKBNSXFAU-IERDGZPVSA-N 429.477 1.400 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749136051 KKTPAGXVRBNXFB-SJBKTWHCSA-N 439.560 1.996 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1749229977 SCSMMMXUXHEBJC-KRWDZBQOSA-N 439.582 1.220 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn2ccccc2n1 1749488374 JLKVFMGPPZMGHU-KRWDZBQOSA-N 445.549 1.124 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCOC2)C1 1749719463 WAKPDOXTSAPNKV-SIKLNZKXSA-N 430.505 1.798 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1750153764 WZMINOZVKPQCKY-FHWLQOOXSA-N 432.569 1.995 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1752353004 VLPJUFVIHMIADM-HYLQGWQCSA-N 430.509 1.314 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1760111464 MZYFFBHIAYVQDQ-OAHLLOKOSA-N 433.516 1.659 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)nc1 1760171386 ZOCUQDBFCHDVGK-UHFFFAOYSA-N 425.518 1.760 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760199377 VJJIQFVCNOUZGB-QFIPXVFZSA-N 435.509 1.116 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1760280749 TWMRETYQVLZMCB-CALCHBBNSA-N 440.529 1.810 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760324250 JFUNALLGDBGHAJ-APWZRJJASA-N 441.598 1.656 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(N)=O)CC1 1760354190 QXISHEGAXKIWFX-UHFFFAOYSA-N 437.508 1.215 30 10 IDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1760437991 VFRTWSPRMFGEIC-UHFFFAOYSA-N 437.504 1.855 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760445683 SBSLTXNDXDNLRI-INIZCTEOSA-N 425.555 1.120 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760525757 QDZYCVHHFMLNJZ-QGZVFWFLSA-N 426.521 1.340 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1764525994 JLZWRNRJCZLLBZ-UHFFFAOYSA-N 448.535 1.636 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1764983533 ITJKCKMTYSXMQD-UHFFFAOYSA-N 425.537 1.734 30 10 IDEE CCOC1CC(O)(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1766159424 AIFJNSLNHNLITP-FQUBMZHMSA-N 433.553 1.989 30 10 IDEE CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@H]1CC 1766616747 DSFNFUJXZXYNDU-VQIMIIECSA-N 441.536 1.679 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1767733595 NVKOKOCTJRVONJ-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1769698306 KPLGJIAXBAOSQG-LJQANCHMSA-N 426.521 1.784 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCS(C)(=O)=O 1769819714 OMZXVZGJZBWLKR-IBGZPJMESA-N 447.561 1.741 30 10 IDEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770721448 DJIPIUDGEHKCMW-GOSISDBHSA-N 439.564 1.893 30 10 IDEE COCCn1cc(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1771124324 GWJNKMPCTFVZJR-HXUWFJFHSA-N 437.504 1.786 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cnc2c(c1)c(O)nc(=O)n2Cc1ccccc1 1772786405 HVGUZSLXZOVZJC-UHFFFAOYSA-N 442.387 1.913 30 10 IDEE CN1CCN(c2nc(NC(=O)c3cccc(N4CCCC4=O)c3)c(C#N)cc2C#N)CC1 1851196985 IIHFBVBLEJUUAH-UHFFFAOYSA-N 429.484 1.956 30 10 IDEE C[C@@H]1CC(=NC(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)NN1c1ccc(Cl)cn1 1851774709 WMZHQOVUVSUYQD-CHWSQXEVSA-N 425.942 1.968 30 10 IDEE CN=C(C[N+](=O)[O-])N(C)C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1852445192 KPHLHXUJPCZTBU-UHFFFAOYSA-N 436.822 1.639 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2cc(-n3ccc(C)n3)ncn2)CC1 1852740424 LUGIUZAHQHKGJD-UHFFFAOYSA-N 433.472 1.579 30 10 IDEE Cn1nc(-c2cnccn2)cc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1853304815 LBVXNDINLUPVTO-LJQANCHMSA-N 448.483 1.685 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 1857041979 PSBUKJKZFZEKTL-CQSZACIVSA-N 444.435 1.654 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1 1858298190 HUKIXERJCWWNOJ-GOSISDBHSA-N 426.498 1.453 30 10 IDEE C=CCNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861588457 GBILYOJKBXWNKQ-ROUUACIJSA-N 429.517 1.388 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N(CC)CC)nc1C 1872637221 SEULTGZIKZBSCS-UHFFFAOYSA-N 437.478 1.606 30 10 IDEE CCc1sc(C2=C(N)N(CCOCCO)CC2=O)nc1-c1ccc(OC)c(OC)c1 1872796130 MVSBSWKRPNWQML-UHFFFAOYSA-N 433.530 1.911 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3c4c(nn3CC)CCC4)CC2)CC1 1889317187 RDRVJRXWYAMHSK-UHFFFAOYSA-N 427.593 1.654 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2073246999 YWACZPNEHUWWQX-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2085301896 WMGPAPAUWYNKNU-MGPQQGTHSA-N 437.346 1.696 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085659954 OGSIMMBRKNRKNT-OAHLLOKOSA-N 435.330 1.985 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124519345 ITDCLNYUZWJJDA-CABCVRRESA-N 448.329 1.596 30 10 IDEE Cc1csc(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1C#CCCO 2156987607 BBGOSMKODYMXGE-UHFFFAOYSA-N 446.550 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2224125200 ORVABPVWMUOLMA-JOCHJYFZSA-N 433.358 1.977 30 10 IDEE C=C(CS(=O)(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247961635 HOIVGZLPFBIUEJ-OAHLLOKOSA-N 448.391 1.711 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251299047 HMKYZXUAMLUTLA-DFNYUNAYSA-N 426.319 1.021 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255650520 PYTQASBYOVEYOH-CABCVRRESA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255669908 UHKZBCKJNSWECC-FOLVSLTJSA-N 429.326 1.976 30 10 IDEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255703194 PTDRYSBMYUMCIT-UHFFFAOYSA-N 437.346 1.927 30 10 IDEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255749123 OMCKNISSXHERRJ-UHFFFAOYSA-N 445.350 1.318 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2255817977 DMAMMWIRZZRARS-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)CNC(=O)OC(C)(C)C 2255880525 HGSAIQCWTIYBHU-UHFFFAOYSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255938583 BVOVRKKQKRXUQR-CQSZACIVSA-N 436.314 1.307 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256626949 PVWLJLKUWPMZNQ-INIZCTEOSA-N 437.346 1.403 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](O)C1 2256672314 FWOHRKRBXASCPF-QCKZDCLWSA-N 433.314 1.738 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2257493125 PLADLJBKSLPQLD-HNNXBMFYSA-N 435.330 1.305 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267220051 IXNLJRJDLULJGD-CVEARBPZSA-N 449.357 1.829 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267546783 BEPYDZAIOQSZJU-LSDHHAIUSA-N 446.357 1.943 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 2268651580 PEXGEJQRNUBPQW-UHFFFAOYSA-N 447.341 1.874 30 10 IDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2272083863 JVTDWYUDOAWOSN-LPHOPBHVSA-N 426.491 1.099 30 10 IDEE C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)c1ccc(C#N)cc1 2286021863 SPZWWFBBGAIGST-KDOFPFPSSA-N 431.470 1.918 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2319824577 MKNDGMFYAUAOOF-UHFFFAOYSA-N 435.330 1.939 30 10 IDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)NCc1ccccc1 20527395 TVTXNVKDORHODY-UFFVCSGVSA-N 442.461 1.460 30 10 IDEE Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)o1 21080941 RVMKXVSPGQQPTA-FBCYGCLPSA-N 425.430 1.767 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])nc32)nc1C 96552276 SSDNDDIIRCOMSR-UHFFFAOYSA-N 433.402 1.462 30 10 IDEE COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@H](C)n2cnc(C#N)n2)c1 409687911 SBUZXCFGIZMHKJ-NSHDSACASA-N 435.282 1.418 30 10 IDEE COC(=O)CN(CCc1ccc(Cl)cc1Cl)S(=O)(=O)N1CCO[C@@H](C#N)C1 410142168 JXFKZFLRODXPIV-AWEZNQCLSA-N 436.317 1.480 30 10 IDEE Cc1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 433627124 XIWFWKAGNWMALZ-UHFFFAOYSA-N 426.545 1.327 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)nn1CCC#N 441783500 CCWHETJLJNIXIY-KRWDZBQOSA-N 432.488 2.235 30 10 IDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)CC1 472105365 CVCPSUGYEIKMOU-UHFFFAOYSA-N 435.506 1.031 30 10 IDEE Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n[nH]1 482935821 MSWXJVCYQNNCIT-OAHLLOKOSA-N 431.500 1.534 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)N(S(N)(=O)=O)CC4)cc2C1=O 488158601 LSMBDXHIKIYEDA-UHFFFAOYSA-N 426.454 1.287 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488259670 FPSSXPCUOWBYFX-YADHBBJMSA-N 438.576 1.471 30 10 IDEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 502690270 AIHNBCWSILMOQZ-HDICACEKSA-N 448.527 1.854 30 10 IDEE C=CCOc1cccnc1C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506841246 IAGCOXJTJPARAD-SFHVURJKSA-N 438.532 1.642 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 508930541 FIFIAPMTGQOMEU-IRXDYDNUSA-N 425.555 1.050 30 10 IDEE C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508931103 NUQHLCSRXQHKFF-AWEZNQCLSA-N 426.456 1.714 30 10 IDEE CS(=O)(=O)NCC1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 510208331 MQGZYMOUVCIDLO-UHFFFAOYSA-N 431.480 1.434 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1Cc1ccccc1 525686723 NOHHFSTYYVSPLE-UHFFFAOYSA-N 445.544 1.910 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCOC3)c2=O)c1 540695766 FBINDTAJBSVQJX-INIZCTEOSA-N 441.553 1.777 30 10 IDEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)c1 544835002 SBKWDSDGTAKXTN-INIZCTEOSA-N 435.484 1.672 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 549327365 KQKDSBKOLNAAQU-ROUUACIJSA-N 425.599 1.693 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1CC(N)=O 567553390 PQEORFXGMMVFRQ-UHFFFAOYSA-N 448.426 1.014 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccccc1C#N 604002225 ZRCOYRZWUJVNSM-UHFFFAOYSA-N 442.500 1.585 30 10 IDEE CSC[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 619104133 OLCPDVNADDWBGD-FGTMMUONSA-N 441.557 1.509 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCN1C1CC1 732706767 OHMPBWBOYQNVSI-FQEVSTJZSA-N 427.574 1.415 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(C3CC3)c2=O)cn1 735068528 JMMIQWJFHOQFQT-UHFFFAOYSA-N 448.504 1.966 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(F)(F)F)C1=O 735226219 TYBRDHJBBIGKNE-CQSZACIVSA-N 446.451 1.977 30 10 IDEE C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(S(N)(=O)=O)cc1C#N 742175273 XGEUVJMJWGVETM-ZDUSSCGKSA-N 427.486 1.406 30 10 IDEE CCOc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)c1 743733313 GZPCMNVAQXPCOZ-UHFFFAOYSA-N 434.521 1.903 30 10 IDEE O=C(CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)Nc1ccc(Cl)cc1 756113826 ICVDYAOBKFQLQX-MRCUWXFGSA-N 445.907 1.339 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)CC(=O)O 757379769 JRWMTUFRQIFXNG-BTYIYWSLSA-N 436.464 1.869 30 10 IDEE CC(Cn1cc(Br)ccc1=O)=NNc1ccc(S(=O)(=O)NC2CC2)cn1 761782688 YAKTYUUXAIUUCN-UHFFFAOYSA-N 440.323 1.935 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@H]1CCCO1 782919400 ODFYZNBGPVXOPU-GOSISDBHSA-N 446.532 1.442 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](COc2ccccc2)C1 791151603 HEHKNBXYUDGJOC-SFHVURJKSA-N 443.525 1.812 30 10 IDEE C[C@@H]1CC[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 795182444 FUVKRIVYQYRMDS-XYPHTWIQSA-N 431.562 1.583 30 10 IDEE CN(C)c1ncn(-c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)n1 799722019 FJIBIQLQNHOPEL-UHFFFAOYSA-N 425.474 1.011 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccccc1 802328576 UFYIOYFPNYKSJJ-LPHOPBHVSA-N 443.577 1.308 30 10 IDEE CON=Cc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 803416222 ZLAWSEIMBZZJJO-GOSISDBHSA-N 438.532 1.243 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 810091287 NVCJTFDIIPAEPN-MRXNPFEDSA-N 428.518 1.038 30 10 IDEE C#CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CC1 1130096924 KFBHVGRZBXNCAX-UHFFFAOYSA-N 444.557 1.399 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)c1 1135670638 WAROMFLJILGFTE-UHFFFAOYSA-N 447.517 1.269 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1155520929 KTBBPJJITVRIQM-BTYIYWSLSA-N 426.510 1.225 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cnc2c(Cl)cnn2c1 1160030038 QMODNEYLXOJMDP-UHFFFAOYSA-N 432.893 1.170 30 10 IDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1248670018 GCXBLYFYFBLJAV-IBGZPJMESA-N 444.536 1.811 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1256306027 WPXXOCWYURAZHC-HXUWFJFHSA-N 428.514 1.921 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N[C@@H](C#N)c3cccc(OC)c3OC)CC2=O)cn1 1267506753 OVSCIHIGQUOUNR-YOEHRIQHSA-N 427.461 1.281 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1286295395 ISRGIMJNTFVLCO-RHSMWYFYSA-N 437.953 1.771 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2CCS(=O)(=O)CC2)c1 1286310025 AMVZMXGYPKFMLP-UHFFFAOYSA-N 429.546 1.722 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1286377125 SKVDLZCPIWMQRK-LSDHHAIUSA-N 425.555 1.410 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286395275 MMPFRWIJDSXYSE-SFHVURJKSA-N 432.546 1.807 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1286465626 QJDFISXYTKNQJQ-INIZCTEOSA-N 434.541 1.572 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)CC)CC1 1286472636 AHZMUFMTDKYHCM-OAQYLSRUSA-N 431.562 1.265 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(CC)CC)CC1 1286485395 KCRLXWYZWOBOFD-QGZVFWFLSA-N 431.585 1.112 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286602033 RWHOPHKXBCBJDS-UHFFFAOYSA-N 436.557 1.924 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1)C1CC1 1286736129 APLCBGPWJMYYBX-GOSISDBHSA-N 438.598 1.252 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](C)C1 1286773501 PMGPOHAFDAKIPH-BZSNNMDCSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCCOC1 1286783867 OIBWTKHUJCBKRZ-INIZCTEOSA-N 427.505 1.881 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(C)(=O)=O 1286795706 CQGPNRSWBZAPKS-UHFFFAOYSA-N 447.561 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286820772 RNVOPHOPTJJWEI-DOTOQJQBSA-N 434.566 1.630 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1cccs1 1288825407 DQXOCDUOTMVFEM-JCURWCKSSA-N 442.542 1.299 30 10 IDEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cs1 1289395267 MSYPIHIOUQMNGB-CZUORRHYSA-N 438.579 1.768 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)cs1 1290435565 UTOGSJGWAAOBKM-MOPGFXCFSA-N 445.593 1.600 30 10 IDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1293731810 VGCCUIXHJLDMRK-KIWHVSKTSA-N 425.551 1.807 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1297398994 BKACSUDCXRJILG-UWJYYQICSA-N 445.545 1.229 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1297836773 RSENDLRMOBKTNV-LSDHHAIUSA-N 445.463 1.634 30 10 IDEE COC(=O)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1299393782 MYFIJZRPJVGGFY-VHEBQXMUSA-N 428.493 1.146 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1O 1299413756 RDPFXSZJXINLBL-MTQWCTHYSA-N 439.516 1.992 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCN(C(=O)OC)CC2)CC1 1300683691 RKWMIERCJQGKED-SFHVURJKSA-N 448.568 1.236 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@](C)(O)CCOC)CC1 1300719293 VMDIHDDKUDIFCQ-QHCPKHFHSA-N 425.533 1.698 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](C)C2)CC1 1300726566 PSPHCNLHSAPBKR-YQVWRLOYSA-N 447.605 1.582 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)CCCOc3ccc(C#N)cc3OC)CC2)CCOC1 1301073156 SJOCRSONKQVUAL-JOCHJYFZSA-N 431.489 1.202 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC=CO2)CC1 1301126968 XOSKBISIFMYOCM-MSOLQXFVSA-N 437.566 1.706 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(OC)CC1 1301585175 HYIDPDPBRWVDCL-DNVCBOLYSA-N 425.555 1.225 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1301593814 UXCAMFCWHHMAJP-JXFKEZNVSA-N 442.582 1.535 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1301607697 OVCOIEGNAOKNPQ-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE C=CCSCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1301619943 ALOYFLYJKZLJBC-LJQANCHMSA-N 444.623 1.863 30 10 IDEE CC(C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1303432145 GBVINJDQTHBYLB-IBGZPJMESA-N 433.513 1.626 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@H]1N1CCOCC1 1305149223 NSLFAGWNJNFOPT-WIYYLYMNSA-N 440.548 1.373 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCCO 1305531294 IDIMFVNAHIOLSD-DLBZAZTESA-N 428.541 1.567 30 10 IDEE CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1313478091 AQNNRCDJZXFGCQ-UHFFFAOYSA-N 445.531 1.850 30 10 IDEE COCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1316112422 IPWTXWGEBOFWAN-SOLBZPMBSA-N 445.568 1.872 30 10 IDEE C[C@]1(c2cccc(CNC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2)NC(=O)NC1=O 1338413627 UNIRXRYYEYNXHA-HSZRJFAPSA-N 447.499 1.476 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1358928201 WEFMRZMXGVWKHQ-UHFFFAOYSA-N 448.549 1.327 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1358934737 LUHFVLZXUVNSOV-UHFFFAOYSA-N 437.479 1.996 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1358937758 GXCDJWJFNNYMEF-CZUORRHYSA-N 425.942 1.999 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1358995791 FYSLNHIQQVKSSP-UHFFFAOYSA-N 448.552 1.617 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358999083 CMASNGCVIBSJJZ-OAHLLOKOSA-N 430.475 1.529 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCOCC2)c1 1358999145 GMVNWBGXFIGKIS-UHFFFAOYSA-N 436.560 1.854 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1359070277 JNYPWJNRUNYXBY-NSISKUIASA-N 439.582 1.010 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359076494 CXACNDIXDOWFTQ-HZSPNIEDSA-N 447.403 1.470 30 10 IDEE C=C(Br)Cn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1359088778 SSFNARWPXVOLLS-IYOUNJFTSA-N 440.342 1.554 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1359165618 SOSWGEVDPZHUTH-QGZVFWFLSA-N 432.506 1.280 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359334483 HOISWXKIFQJKKB-QGZVFWFLSA-N 444.623 1.625 30 10 IDEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1360166557 CXLLGKGEWKLWQZ-UHFFFAOYSA-N 446.510 1.292 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1360339330 SJJISNOADAXOQT-IPHXSNPTSA-N 434.516 1.675 30 10 IDEE CN1CCN(C(=O)N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)CC1 1443497556 REVWYEVOWHEHOR-UHFFFAOYSA-N 434.500 1.871 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1443585202 PFNNZUFDZVIAFM-CQSZACIVSA-N 437.338 1.620 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2=O)cc1 1447630669 XTKXKYZRMUSCAA-SFHVURJKSA-N 447.426 1.671 30 10 IDEE C[C@]1(C#N)CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCO1 1456478305 GSKROSJTPNSJJS-QPPBQGQZSA-N 432.480 1.641 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1469814844 OAZXUQLESNGFKP-QGZVFWFLSA-N 430.482 1.763 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)c1 1473173270 KSPPKCJVASNSML-UHFFFAOYSA-N 428.470 1.828 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](O)CO 1473575010 HTAWWDJWKUVKST-MRXNPFEDSA-N 440.928 1.720 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)CC1 1477911689 ATYSWZCHBCJPIE-KRWDZBQOSA-N 437.566 1.190 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1(C)C 1504496293 CMZXWONWUWLYSH-GOSISDBHSA-N 434.504 1.831 30 10 IDEE COCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1504895800 IWDFNFCCBPLZLH-JOCHJYFZSA-N 441.536 1.558 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1507538552 NGLLWZFFANGVAT-MJGOQNOKSA-N 447.561 1.538 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN(C)C(C)C 1507601603 SLABVZAARRMKRU-KRWDZBQOSA-N 432.594 1.846 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1507615914 CSWWHYRTSOSEEN-HUUCEWRRSA-N 430.530 1.630 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C 1507660564 AUFURKBOILRALF-KRWDZBQOSA-N 441.605 1.960 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1507668811 DAABEOVXDGBGTO-IBGZPJMESA-N 441.557 1.874 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1507670194 ZGZMHTIIAJLNLM-KRWDZBQOSA-N 430.505 1.839 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1507701299 CRDPWACCUMJNFV-LJQANCHMSA-N 441.507 1.810 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)F)c2)CC1 1507731852 QUNQTWGSFKDWAK-GOSISDBHSA-N 449.527 1.921 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(C)(C)C(=O)NC)CC1 1507732351 LMCOSRWACSOVGI-UHFFFAOYSA-N 438.576 1.947 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507863410 FEZXYMGUTZBUQG-WFASDCNBSA-N 438.941 1.827 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1COCCO1 1508015315 QYSCYDRKFQITLH-GOSISDBHSA-N 447.561 1.789 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)C)CC1 1508093709 WRXJXDRWZCVHHU-UHFFFAOYSA-N 445.593 1.539 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517899370 XSSFUQASCAMVBU-XQLMRJDBSA-N 430.509 1.314 30 10 IDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)c1 1518072433 MOWJUWKRAIZBMH-CYBMUJFWSA-N 434.294 1.970 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(CC(=O)OC(C)(C)C)CCOCC1 1519190717 ISRPMSFITNKTCI-INIZCTEOSA-N 429.521 1.914 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1521352712 FTOUNLUDUJLTNW-MRXNPFEDSA-N 438.488 1.966 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 1526574806 XLZFHFMBKMYMOA-IBGZPJMESA-N 426.521 1.540 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2C1 1536180004 OYYXMNZIAHAHTE-UWJYYQICSA-N 431.514 1.948 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1537789641 BPRPXMJJJYPMCF-QKKBWIMNSA-N 448.545 1.631 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCOCC(F)(F)C(F)F 1539290023 BCVCTYPKNPVXOW-UHFFFAOYSA-N 429.418 1.894 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C(C)=O)CC1 1539319860 IVJSCJAZGOFVSH-UHFFFAOYSA-N 448.527 1.301 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@H]1C 1539744715 UIWRRHFKTACWRO-OAHLLOKOSA-N 430.509 1.656 30 10 IDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)NC)CC1 1539897923 MKBRSGZWHROSKJ-UHFFFAOYSA-N 438.579 1.221 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2CCN(c3ccccc3)CC2)c1 1540697883 SOAJDAKOZAJWID-UHFFFAOYSA-N 430.505 1.675 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1542232413 YLWHHJQDNGDQMN-VMPITWQZSA-N 442.472 1.817 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1)C1CC1 1555804734 CICGBVTVSVQLRQ-UHFFFAOYSA-N 426.506 1.122 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)C2)nc1 1558464968 SJSRGPKNWJPVEQ-MRXNPFEDSA-N 433.921 1.988 30 10 IDEE COC(=O)[C@@H](NCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(C)C 1558984319 UAJWNKBSAWZFIK-BEFAXECRSA-N 434.924 1.858 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[C@H]1F 1559017232 DAZJENNDXMGKHG-HZPDHXFCSA-N 440.497 1.300 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(C#N)c3)CC2)cc1[N+](=O)[O-] 1586928202 MGOYADYIFWXELB-UHFFFAOYSA-N 436.471 1.683 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1587631540 CYQFCMIEWCPKJT-NZSAHSFTSA-N 425.537 1.450 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588074973 UZVGKROJGHBTFQ-LJQANCHMSA-N 447.543 1.255 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCNC(=O)C1CC1 1588473525 OPVGBSAIDFLDKH-UHFFFAOYSA-N 426.496 1.721 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC(F)(F)F)CC1 1588780694 VSGOFPQRPVKMHW-UHFFFAOYSA-N 436.438 1.387 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1589109778 JTYOGWJFBZGQSR-UHFFFAOYSA-N 430.578 1.216 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1589494174 KNURKHFFOMXITI-VQHPVUNQSA-N 427.571 1.485 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1594669163 PUGKBDVQDGYTHW-AZUAARDMSA-N 445.612 1.761 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595523106 PSRMKKNORXRFGS-ZHRRBRCNSA-N 427.505 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1595789375 RLPYBIVRTSEOLQ-UHFFFAOYSA-N 431.566 1.490 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595805382 OGWNPLYOIVKQII-HXUWFJFHSA-N 436.582 1.563 30 10 IDEE CC(=O)NCC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1596583602 KPQYDVSQAYKBLI-ZZEZOPTASA-N 429.525 1.280 30 10 IDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)N(C)[C@@H]1C 1613895722 DLXYPFPYUQDIIS-IEYASGIBSA-N 445.588 1.783 30 10 IDEE CC(C)(C)c1ccnc(N[C@@H]2CO[C@@H]3[C@H](NS(=O)(=O)c4ccccc4C#N)CO[C@H]23)n1 1616131499 RIGQHIIQZJMQRF-OHDICMOHSA-N 443.529 1.571 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1617313649 KRBHGNGJXHXIFM-UHFFFAOYSA-N 438.513 1.915 30 10 IDEE Cc1ccc(I)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1618171819 ODMBLJXNHNVGFI-XHDPSFHLSA-N 430.267 1.610 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N(C)C 1620018617 GHVDVMNXSCLJFL-ZWKOTPCHSA-N 442.568 1.545 30 10 IDEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)CC1 1620352026 MHDRVWVAOTXOOI-UHFFFAOYSA-N 427.900 1.908 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)s1 1627260238 XBASBTYFVDTVMP-KRWDZBQOSA-N 435.571 1.571 30 10 IDEE CN(CC(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)C1=NS(=O)(=O)c2ccccc21 1631330603 GZBDVYHHTWBEEW-GOSISDBHSA-N 437.525 1.676 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)s1 1632189663 JFVJWYNTFAZYNK-HYVNUMGLSA-N 427.592 1.465 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)C2)c1 1634254941 HRQNQXVIBKGCAE-HXUWFJFHSA-N 440.525 1.952 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)cc1 1646395118 IWKXFIVDPIXHIU-QGZVFWFLSA-N 426.454 1.121 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 1647069089 SGXNUMMJXRBESE-HKUYNNGSSA-N 435.565 1.712 30 10 IDEE N#C[C@@]12CN(C(=O)NCCCS(=O)(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1681619248 OGAZQTHPOUCDPR-GUYCJALGSA-N 445.950 1.084 30 10 IDEE CN1C(=O)CC[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1682183645 IXTDDYKHXFYJBZ-GJMOJQLCSA-N 437.287 1.946 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 1682701991 FSEQGBWGXPUTFD-QAPCUYQASA-N 444.536 1.597 30 10 IDEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1683227483 BGPJHWOOSKCFJZ-HNNXBMFYSA-N 443.533 1.067 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC3(n4cc(Br)cn4)CC3)CC2)c1C#N 1685137845 UJQJLWZHEKTXEP-UHFFFAOYSA-N 447.341 1.580 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)O1 1686056022 QBLLOLWOWIOYFT-RSJGLCBASA-N 438.525 1.350 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689993124 WANBTHPWFQLORI-IAGOWNOFSA-N 432.546 1.943 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690307042 NEQJOCQPFSBOLN-UHFFFAOYSA-N 434.566 1.698 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690320424 SXURUGJNYZMQCX-IERDGZPVSA-N 432.525 1.537 30 10 IDEE C=C(Cl)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690358863 MQGBGECPZKYHHM-SFHVURJKSA-N 447.989 1.589 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCOCC1 1690515608 PVVFVEZTUFJJDE-IEBWSBKVSA-N 448.593 1.584 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690607665 RINYTGKHIIWLAI-NRFANRHFSA-N 443.529 1.718 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690667812 IZQHFSVAECFWRZ-OAHLLOKOSA-N 426.481 1.660 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1 1690670434 BOCVRRWDJSGAOX-ROUUACIJSA-N 429.546 1.824 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)C1 1690697221 QRQUCXXOMCOZLQ-CVEARBPZSA-N 434.541 1.925 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1695508321 VQRSTAMQHBIWOX-QFIPXVFZSA-N 440.504 1.203 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CCN2C1=O 1695778156 LXJKXUSBHGESMZ-QGZVFWFLSA-N 437.504 1.450 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696922421 YHJWGAOBJARRCE-IBBQJSRESA-N 441.536 1.425 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1698273581 BVWIRYXQOHAEOQ-FUHWJXTLSA-N 430.534 1.323 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1705561602 UYWWOCKVDHPHMQ-MHORFTMASA-N 442.557 1.767 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1705566084 XNADJDJRAYOUHZ-QGZVFWFLSA-N 440.529 1.874 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(OCC(N)=O)c1 1705586761 VULWTUSZFCJBAN-UHFFFAOYSA-N 434.525 1.619 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@H](F)C2)n1 1705631543 IILWPXDGUKQXAB-LNLFQRSKSA-N 443.527 1.850 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2COCCO2)n1 1705631777 PTXFXFXEQWTCQI-RBUKOAKNSA-N 430.509 1.028 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCC(O)CC2)CC1 1705637350 SUGUCEDXTQKCEN-UHFFFAOYSA-N 426.540 1.686 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2)CC1 1705644465 RHCBMBLYMNVOKR-KRWDZBQOSA-N 432.594 1.668 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2nc(C)cs2)CC1 1705651446 WZXGZNYRORDEAP-UHFFFAOYSA-N 441.561 1.180 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1705652230 SNIUNKLIVFVZJT-UHFFFAOYSA-N 429.506 1.180 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@]2(CCOC2)C1 1705697309 LDEFRTWIZSCDKV-IWQHBPENSA-N 436.553 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCSC2)nnc1[C@]1(OCC)CCOC1 1705938734 IDXGZOGKBZVVEW-YJBOKZPZSA-N 430.596 1.473 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1706069088 VYKHFNBYCWHOTQ-WBVHZDCISA-N 433.534 1.750 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H](C)O1 1709336091 WOEGHCALGDWMLF-APWZRJJASA-N 447.561 1.882 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1711200752 JCSCZBWKFZITTD-UHFFFAOYSA-N 439.520 1.770 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1712101906 UBWRLSJWNZXOTL-JYWFKMLOSA-N 437.516 1.812 30 10 IDEE COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1712388404 QYMPNZSHJMHKGC-UHFFFAOYSA-N 447.503 1.555 30 10 IDEE CS(=O)(=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1712685509 JENFMDJLIGQJHL-CYBMUJFWSA-N 437.472 1.453 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1712703025 NVSSBTUHJCZDGK-UHFFFAOYSA-N 427.490 1.325 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1722368493 QYOCEVLTXUWTII-LJQANCHMSA-N 443.573 1.792 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722371690 KUQPNTMJOMJEKH-IBGZPJMESA-N 447.605 1.696 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCc2nccn2C1 1722423032 XAQMNCKAAARSMW-XXBNENTESA-N 442.564 1.864 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](C)CN2CCOCC2)CC1 1722446954 DVYGEUXSVWLKLY-LJQANCHMSA-N 430.597 1.411 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722700284 DJIIXEFTKNDFIU-KRWDZBQOSA-N 440.523 1.805 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(Cl)nc2C1 1722703075 UZEWVALNGBXZNT-KXBFYZLASA-N 446.939 1.915 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1722868670 CVIGCFFFMYQEHJ-HNNXBMFYSA-N 428.518 1.902 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1729169054 PRFHLMYORHDHFF-UHFFFAOYSA-N 435.536 1.657 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)C1 1729597337 CBTRJFMKCVDBOG-OFNKIYASSA-N 440.548 1.801 30 10 IDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)CCOC1 1729946362 APRMESNJRKFDDK-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc(OC)c1OC 1729993575 YMLBZMJISSFSOQ-DLBZAZTESA-N 443.504 1.975 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCSC1 1740601485 CKWXQSSZUCBFNS-IBGZPJMESA-N 434.591 1.484 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740616140 UFQZYSVZLSFKIW-GDBMZVCRSA-N 441.623 1.575 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1740616986 JZXSTCZSOMHLLF-DOTOQJQBSA-N 447.561 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nncn2C)CC1 1740701857 QUEYKLRDMPIDQA-UHFFFAOYSA-N 439.911 1.136 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O 1740758390 XBTAHPJVAFLJBB-INMHGKMJSA-N 425.555 1.081 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NCC)CC1 1740871760 NKPOXHZTVPKHIW-UHFFFAOYSA-N 436.524 1.739 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1740939021 QLYLZEAGLSKVCJ-UHFFFAOYSA-N 435.330 1.862 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ncc(CC)s2)CCOC1 1746732868 BZPBFGYENJXOMW-YWZLYKJASA-N 432.550 1.921 30 10 IDEE CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1747417015 BMXDLPZBBKSVCT-SFHVURJKSA-N 431.518 1.965 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748814428 FVEZWNCZKQZIRI-LJQANCHMSA-N 442.589 1.760 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(Cl)c2)CC1 1748971529 UIPVZOWJTLBLAY-UHFFFAOYSA-N 442.951 1.980 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCC 1749487102 AQQQBZZFPDLLRD-IBGZPJMESA-N 449.577 1.818 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1749586402 TXXWVMIOYUXKKY-QHCPKHFHSA-N 425.533 1.787 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCN(C)C(C)(C)C1 1750632867 JXOPSDVRTLNRKZ-UHFFFAOYSA-N 438.580 1.962 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1751302656 ABADLLCNERVWNN-UZLBHIALSA-N 431.518 1.646 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1760097883 LIJBCLFXCCZFCH-CABCVRRESA-N 442.545 1.951 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760155305 VDPAEZICUCUVNI-IRXDYDNUSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1760190638 SRPLKMKUWLNTCD-IBGZPJMESA-N 439.545 1.096 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1760203523 HKTXMZKVJMRTBF-QZTJIDSGSA-N 430.553 1.609 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1CC 1760216101 AADPLCWRNGFGGF-UHFFFAOYSA-N 441.499 1.315 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)C(C)C)CC1 1760265808 JSPZYRRLVGXCQW-QHCPKHFHSA-N 446.596 1.236 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760357535 KPVWCEAKZXIFAV-RTWAWAEBSA-N 432.613 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760519117 RYYXJMDMONXGDO-SFHVURJKSA-N 449.559 1.808 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1 1760528141 TURSCEYYRODHHW-UHFFFAOYSA-N 442.520 1.227 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760830748 XQKJDWBRIGNNST-ZZEZOPTASA-N 441.536 1.377 30 10 IDEE CC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)COC1 1761570448 MQUNHCGVGUNOBK-CVEARBPZSA-N 448.524 1.352 30 10 IDEE CN(C)CCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766934278 LMYDMNZRCCPVAY-NRFANRHFSA-N 448.531 1.763 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC(C)(C#N)CC2)n1CCCNS(C)(=O)=O 1768914575 ISLKEZUEEIQGBT-UHFFFAOYSA-N 446.577 1.947 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769107189 PTEMDPJRYBAFAC-KRWDZBQOSA-N 438.536 1.147 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C1 1771252263 MWVVYIIUTFHPRD-DENIHFKCSA-N 427.505 1.864 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1771538060 CNXUJNWJNSHFMH-QTIQAUKSSA-N 425.493 1.786 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2c(F)cccc2F)CC1 1849645625 WIMYMCOFAONEOJ-UHFFFAOYSA-N 435.456 1.249 30 10 IDEE Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC#CCN2CCOCC2)cc1 1851026708 ZOYYCHQPFOXIPN-UHFFFAOYSA-N 427.526 1.861 30 10 IDEE CC(C)(C)c1cc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nc2ncnn12 1852104636 MCOKNDUEQDWZNR-UHFFFAOYSA-N 434.504 1.667 30 10 IDEE CS(=O)(=O)N(CC(=O)NCC#CCN1CCOCC1)c1ccc(Cl)cc1Cl 1852600814 OGRFWWHCUQVYAV-UHFFFAOYSA-N 434.345 1.211 30 10 IDEE C=CCN1CCN(C(=O)CN2C(=O)C(=O)N(Cc3c(Cl)cccc3Cl)C2=O)CC1 1853341316 JUQCDWRTGCOZOT-UHFFFAOYSA-N 439.299 1.614 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1COCCO1 1854554076 HCBVXCWFTHZLIP-LPHOPBHVSA-N 434.514 1.637 30 10 IDEE C[C@H](CC(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1cccn1 1856381493 XWHCOODDIAZSSA-IAGOWNOFSA-N 426.546 1.713 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCN(CC)CC 1870476684 CGYWLZMZOKUIFU-UHFFFAOYSA-N 435.565 1.933 30 10 IDEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCC(O)CC2)cc1=O 1870561664 XEMVWOSBXWGVKS-JOCHJYFZSA-N 425.529 1.826 30 10 IDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871550913 DYPJGEHZZGUCGK-UHFFFAOYSA-N 432.326 1.488 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1879109240 MAGAYOFFKKUIQB-SFHVURJKSA-N 448.369 1.920 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1891174892 VJLNAGHUGJWSTE-UHFFFAOYSA-N 443.529 1.598 30 10 IDEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)cc12 1891555461 BDSNZOMVOCVUFE-UHFFFAOYSA-N 425.518 1.833 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1)NC(=O)OC(C)(C)C 1901983559 MNJVEYFXQZGVNH-ZUOKHONESA-N 425.482 1.483 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1ccccc1C#CCCO 2187779990 MGOJQMUGQULRNR-UHFFFAOYSA-N 426.494 1.179 30 10 IDEE CC(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)=C1CN(C(=O)OC(C)(C)C)C1 2248414561 LVJREQQXESRYAX-UHFFFAOYSA-N 436.343 1.765 30 10 IDEE Cn1cc(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255622510 AHZUBTLDISLWLW-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE CC[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255750708 OKNJLOWCUXCBAN-QGZVFWFLSA-N 449.382 1.681 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826672 RAEMXJSYODUVQJ-OLZOCXBDSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255882799 VLAIGGPYVGEODB-OAQYLSRUSA-N 432.330 1.905 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC(C)(C)O 2255940595 CBMLYKODZYRCGU-UHFFFAOYSA-N 449.382 1.681 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067255 MSSDCQLGNLOOLO-UONOGXRCSA-N 432.330 1.761 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256625997 DVENYDFGJSHKAB-YOEHRIQHSA-N 434.342 1.876 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2267138868 YJZUSEFFNPYKPX-ZIAGYGMSSA-N 446.357 1.797 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2267499033 YJDHKVWWHMJMJM-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@](C)(CO)C1 2267560742 HGZNHSOALQPAKP-QFIPXVFZSA-N 449.357 1.758 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2267607664 AMVRLUWFMMVPTR-UKPHBRMFSA-N 444.341 1.904 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(F)cc1C#N)NC(=O)OCc1ccccc1 2286036476 MEKVOIRTZAKTKR-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2298373905 JUFNKBBRORKWRR-MCIONIFRSA-N 426.319 1.070 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2312325646 DGNLECZMZYSTBD-INMHGKMJSA-N 438.330 1.010 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 302888951 LZYWTLLWTXPQHV-UHFFFAOYSA-N 436.428 1.898 30 10 IDEE C[C@H](C(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)n1cnc(C#N)n1 409973873 KWJOVNUANABRLP-KYJSFNMBSA-N 438.488 1.511 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC1 437607809 WCSAUQNSIKYNIP-UHFFFAOYSA-N 444.561 1.585 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCc3c2cccc3S(N)(=O)=O)c1 443388864 QZQZXVKBAWSNGI-UHFFFAOYSA-N 435.527 1.391 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 460808445 IXUMRZMKDKBQNK-LJQANCHMSA-N 447.561 1.758 30 10 IDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 477042272 INLRRIHTNSZRIS-UHFFFAOYSA-N 438.868 1.658 30 10 IDEE CC1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 478413677 CSWHTBZCQPHIBO-HTAPYJJXSA-N 426.473 1.560 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(C#N)cn1CCOC 481344743 KZKLYOYNPHQTAK-GOEBONIOSA-N 431.493 1.705 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 491212569 IQAHDBAURYJMII-UHFFFAOYSA-N 425.860 1.967 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 509001123 LXMXVDNHDHKZMB-CEXWTWQISA-N 432.569 1.179 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 522309618 XBRWFXYJXXKXGP-FQEVSTJZSA-N 449.983 1.343 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 523706017 QXWZOOPWERELBU-UHFFFAOYSA-N 441.556 1.428 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](COC)c2ccccc2)cc1 536715085 INJWKHINLTZBSN-LJQANCHMSA-N 431.514 1.936 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 542296878 DBRATHIBQWQJCE-UHFFFAOYSA-N 431.470 1.112 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 543886106 DCFFHSRETROHGN-UHFFFAOYSA-N 427.896 1.849 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552359667 MXWWYEOHPCOSAV-UAFMIMERSA-N 443.475 1.865 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N 553544596 KEKBUHWIJRRQHO-NXEZZACHSA-N 432.296 1.055 30 10 IDEE Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 558589224 AUNAOVVTQRHFKJ-AWEZNQCLSA-N 447.438 1.836 30 10 IDEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccncc3)N2N1 588226660 KMNNPSJLEUMHOP-INIZCTEOSA-N 428.315 1.906 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)nc2)CC1 609643437 MKNDZUFWLNAPKW-UHFFFAOYSA-N 432.458 1.096 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611916217 UYEFULYSYCIPGF-UHFFFAOYSA-N 448.573 1.871 30 10 IDEE C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671666190 GBVSUTDLLWDLSF-GOSISDBHSA-N 446.529 1.551 30 10 IDEE CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C 675082938 JWLGQMQPKBJMKR-AHXZKHQPSA-N 430.497 1.506 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730142244 QKBNNNGBJQTQIB-CJNGLKHVSA-N 437.541 1.350 30 10 IDEE Cc1nc(-c2ccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)cs1 737305231 FVQOAMUANFOUEH-ZCXUNETKSA-N 425.470 1.700 30 10 IDEE C[C@@H](CC(=O)NCCS(=O)(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742582289 GBHQBEKHNFRNND-AWEZNQCLSA-N 435.527 1.094 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H]2CCOC2)C1=O 751693025 CTOVVXRTZUJSHP-PBHICJAKSA-N 434.518 1.204 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 751920616 BJMVYOOPMMEBNC-BXUZGUMPSA-N 430.465 1.711 30 10 IDEE C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760552342 RNEOFQGEVNIFBF-XMMPIXPASA-N 430.512 1.989 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 769721636 ARCJYPAMSTVVKI-CZPYZCIJSA-N 449.257 1.787 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 774148478 NIBREWWNVBXSKE-FQEVSTJZSA-N 448.589 1.039 30 10 IDEE N#Cc1c(F)cccc1C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 778604382 BXMLOMCJDPQAQR-UHFFFAOYSA-N 435.389 1.846 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)n1 795960622 QXHMABFYTJHBAO-UHFFFAOYSA-N 443.884 1.933 30 10 IDEE C=CCN(C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 798182702 COIOTFWXNYCBLX-IRXDYDNUSA-N 429.583 1.425 30 10 IDEE N#CCn1c(CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc2ccccc2c1=O 805787371 NTDZDKAVEVBGTN-IRXDYDNUSA-N 429.480 1.929 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 917687783 DRYYUCWSJUTKMR-NSIAZDCZSA-N 436.559 1.892 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CCN1CCOCC1 917769737 MRCPPAAWQXAVAO-UHFFFAOYSA-N 448.573 1.997 30 10 IDEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)NCc1ccccc1 1084171377 TVTXNVKDORHODY-UHFFFAOYSA-N 442.461 1.460 30 10 IDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1124204163 VXULBXIONAKNDV-KRWDZBQOSA-N 435.546 1.675 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1142667418 IOGINSHTKKFKCM-UAGQMJEPSA-N 434.518 1.394 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 1143373231 KUVXKBNUSWCPTC-UHFFFAOYSA-N 427.526 1.959 30 10 IDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1156428118 OFZISSJUEAHHJK-GFCCVEGCSA-N 426.336 1.793 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccnc(N3CCOCC3)n2)CC1 1156560729 HXVYQOFFPHEEME-IBGZPJMESA-N 426.908 1.989 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CC2=O)cn1 1171843151 AAPQXLGQUKLLCK-QGZVFWFLSA-N 440.479 1.242 30 10 IDEE CSCC[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(=O)OC(C)(C)C 1178757472 RGPZZONTFKOKLD-DEYYWGMASA-N 431.580 1.420 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CC(=O)Nc1cc(Cl)ccc1C#N 1196185933 FUEUHZHPHRTSSW-FQEVSTJZSA-N 438.912 1.738 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@@H](C#N)C3)CC2)cc1OC 1228421978 DJJLDNNADRMREZ-HNNXBMFYSA-N 436.534 1.802 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1253893063 JZYJEZCNCCXFKY-CVEARBPZSA-N 427.567 1.854 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1265509478 DNANGIFPNNCYIZ-KRWDZBQOSA-N 444.504 1.770 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286393119 JONWXSNPURHQML-MOPGFXCFSA-N 429.546 1.316 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(F)c1 1286411047 XZGJGRZIKGLSJN-DLBZAZTESA-N 430.505 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1286429784 KCYWOMQFHWMWEI-LJQANCHMSA-N 436.491 1.190 30 10 IDEE C#CCSCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286510447 SLBDDFMTNOYHAH-APWZRJJASA-N 442.607 1.308 30 10 IDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286624936 DYIIFCXAGFWDSV-UHFFFAOYSA-N 430.900 1.944 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1286638380 ZWBZPDUWCHQXCC-IRXDYDNUSA-N 449.581 1.445 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1286784560 LUTZVCKJLNCNLG-UHFFFAOYSA-N 431.504 1.627 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCC2=O)CC1 1286949143 DLOQOVQLXSDUON-UHFFFAOYSA-N 435.532 1.934 30 10 IDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CCN(C)CC1 1289195999 WZUVHLLCZJAKOH-NRFANRHFSA-N 434.899 1.802 30 10 IDEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1292498471 JSEDJEMPGFTOIP-KKSFZXQISA-N 425.468 1.938 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1300313910 RECNKKKTJCCOIT-SJLPKXTDSA-N 431.562 1.759 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300325018 QVQJQDPYBDQLCS-IERDGZPVSA-N 432.546 1.427 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(C)C)c1 1300331763 PXQYZXKZYCEIAZ-MRXNPFEDSA-N 446.577 1.991 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1300464448 FJSCMKZEJLKTHO-MJGOQNOKSA-N 431.562 1.793 30 10 IDEE C#CCN(c1nnc(C)n1CCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1300484544 QGCLGRLWBIYKLE-HNNXBMFYSA-N 433.925 1.152 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1300490639 AFHNDMJQZGBBOP-SJORKVTESA-N 440.591 1.140 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC[C@H]1C 1300805045 WKYDZKBKDUFIMP-CRAIPNDOSA-N 432.550 1.569 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300893133 XUHYIRXQHGSHDF-QKLQHJQFSA-N 446.552 1.659 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1300972757 PRHKHMCZQWNZML-AEFFLSMTSA-N 441.598 1.734 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301596108 IBAHJBCHVCMGCB-DLBZAZTESA-N 439.582 1.471 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1coc(CN(C)C)n1 1304117947 VZLZUMMMYHKMOZ-MRXNPFEDSA-N 433.534 1.650 30 10 IDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)s1 1304355837 HYAYWWSZEMKUPK-BBRMVZONSA-N 438.579 1.768 30 10 IDEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1307870039 PVKAKAWGSFGASP-UHFFFAOYSA-N 427.929 1.657 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC(C)C)CCO1 1315008067 PVZKSHBESBNSAE-IBGZPJMESA-N 426.521 1.973 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCNC(=O)c2cc[nH]n2)c1 1358902884 CSJCKJMJHWWEQV-UHFFFAOYSA-N 446.515 1.440 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1359031355 ZELATQDJLOOFHJ-APWZRJJASA-N 445.486 1.653 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359097685 SAUZCNDJJMETJV-MJGOQNOKSA-N 446.577 1.839 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1359105418 OCZYSNGAINWBEL-KZFRKFNSSA-N 433.553 1.578 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359131416 SRXDOQCPSFZZEL-UHFFFAOYSA-N 436.520 1.629 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359135673 LAPXKLCXOQNXHQ-SFHVURJKSA-N 429.525 1.305 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nc(C)c(C)s1 1359239941 AUNKMRUMRLYMSN-OAHLLOKOSA-N 440.595 1.549 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)CC1 1443361424 WUBOASBTWGOBPK-UHFFFAOYSA-N 437.519 1.706 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)C1 1448224067 FSLUFBCNRZESAB-LBPRGKRZSA-N 441.351 1.284 30 10 IDEE Cn1ccc(N2CCC[C@H](NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2=O)n1 1469025056 DTCXIFBNFQUMHT-FQEVSTJZSA-N 435.532 1.751 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)CC1 1469922373 OXOZRYOEMHBEPY-JKSUJKDBSA-N 445.482 1.711 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2c(C)nn3cc(Br)cnc23)nn1 1475568597 LSJDZWHYZKUPSZ-UHFFFAOYSA-N 426.300 1.446 30 10 IDEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCCC1 1503389330 BTCZWYHTGHBTNF-SFHVURJKSA-N 437.548 1.915 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1503550769 BAQLUGFUADCPNP-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NCC)CC1 1507580878 MTGXYTJHLWTAPA-UHFFFAOYSA-N 434.508 1.186 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1507669672 PIDZFOUMMCWTII-LJQANCHMSA-N 426.542 1.894 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)CN(C2CC2)C1=O 1507677159 UZWAERDFMBMGKG-LTMIRXACSA-N 425.533 1.476 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507903135 JHYSGEPBBUPNIG-MOPGFXCFSA-N 443.596 1.574 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508094488 YHERLXZPOWUBKP-CVEARBPZSA-N 434.541 1.530 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508412683 DGXWXUFIZPHHJP-WBVHZDCISA-N 427.534 1.694 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC[C@H]1C 1518478862 FNDPZKMVYMPDRK-IEBWSBKVSA-N 426.521 1.327 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)c1ccccc1 1519451254 UOYXSVQLMYYIBM-IHPCNDPISA-N 426.521 1.867 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)ccc1C#N 1532410301 GJBVERXBNKBABN-UHFFFAOYSA-N 444.469 1.930 30 10 IDEE Cn1c(=O)c2ccc(NC(=O)COc3ccc(C#N)c(Br)c3)cc2n(C)c1=O 1535625028 DJJRIOQQJBOHDD-UHFFFAOYSA-N 443.257 1.889 30 10 IDEE CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(N2CCOCC2)cc1 1539054714 OUZFYAKDEVJRFY-UHFFFAOYSA-N 428.514 1.615 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1539223227 ZQFUMBYKRKADSW-IRXDYDNUSA-N 426.608 1.798 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)F 1539392193 NGSNVCOOHRIFSH-UHFFFAOYSA-N 448.449 1.561 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCc2cnn(C)c2)CC1 1539484369 MSNYYAIISUULHZ-UHFFFAOYSA-N 446.559 1.596 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 1539614551 AHBVDKJOFNXLDU-ILOCAZANSA-N 441.598 1.873 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1540004492 ACKMCAHVBXWHAE-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CCC(=O)N1CCOCC1 1540126725 KIUCMEBPYLFOHS-UHFFFAOYSA-N 440.548 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1540591041 KKNUPIBZXOKLFQ-QFIPXVFZSA-N 445.520 1.834 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)s1 1544140507 HLISLOOUSLAJNR-GFCCVEGCSA-N 439.028 1.870 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)C)CC1 1548335242 OJLDNNKCTOPQLQ-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)COC 1548371061 JMSIVUQFUHRBIE-INIZCTEOSA-N 428.411 1.003 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CCO1 1554441556 HABOFDAUQILZPB-LJQANCHMSA-N 434.504 1.167 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1OC 1557896874 NZLGAIWGTNVZBO-FGZHOGPDSA-N 431.489 1.736 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1587862057 SRHVCCBJLTVIAY-HNNXBMFYSA-N 438.579 1.160 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1ccnc1C 1587931692 AGEXIYLSNAKJRH-UHFFFAOYSA-N 427.534 1.470 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588050849 WAJVQUFBEYVGPB-JZXOWHBKSA-N 430.534 1.177 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1588138549 FLMPOPDOKQBYIL-JOCHJYFZSA-N 448.571 1.889 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1588613075 ROWVTRCRUMJOER-UHFFFAOYSA-N 425.533 1.905 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)c2ccco2)CC1 1588780727 VZIMCWXALRUZBP-UHFFFAOYSA-N 434.500 1.732 30 10 IDEE C#CCSCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1589124942 FNOQMPOUFKLDNU-RTWAWAEBSA-N 433.578 1.544 30 10 IDEE COC(=O)[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(C(F)(F)F)c1 1594654341 ZHOYMVDVSWXNMK-KSPIOAOGSA-N 425.363 1.952 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1594732486 DZQYVZSWQDKDGY-KBPBESRZSA-N 449.499 1.651 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@@H]2C)c1 1596528087 BBNIZRVOXJFXQE-AWEZNQCLSA-N 432.502 1.569 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N(C)C 1608584235 GGIOTZNTKXIYGC-SFHVURJKSA-N 438.580 1.560 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1611768045 YNVSUVHYRULLCO-UWJYYQICSA-N 448.593 1.617 30 10 IDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1611803773 DFYCIXUGLGRSOF-KXBFYZLASA-N 440.545 1.633 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1612962461 BMOSDORNJQMJOX-FZFLATATSA-N 439.545 1.732 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1618092549 HSFOUMPUZAQOKJ-GHTZIAJQSA-N 445.545 1.372 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C[C@@H]3COCCO3)C(F)(F)F)C2=O)cc1 1618731325 NFUHZCNIDWJAET-IKGGRYGDSA-N 425.407 1.759 30 10 IDEE COC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619571573 DYVKSDHDRARTLF-CQSZACIVSA-N 425.493 1.332 30 10 IDEE COCCN(C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1619879681 BAYCNTFAJDVLMQ-SFHVURJKSA-N 437.504 1.907 30 10 IDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 1620463942 ZTTLBJKIOQDTHM-HSZRJFAPSA-N 428.485 1.345 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCSC[C@H]3C#N)CS(=O)(=O)[C@H]2C1 1624161423 VEYRRVMFNRMMRE-TUVASFSCSA-N 429.564 1.124 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C[C@H]1CS(=O)(=O)C2 1627136507 KIITVCXYDJTGKL-FTLABTOESA-N 425.869 1.229 30 10 IDEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Br)cc1 1629571907 WVVOAKDXQWDNHZ-HZPDHXFCSA-N 447.264 1.943 30 10 IDEE CC#CC[C@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1632078434 NMWXFRDESZEEHX-QGZVFWFLSA-N 426.330 1.596 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 1633340586 KASXQNZFXWHBIJ-FQEVSTJZSA-N 434.581 1.160 30 10 IDEE C#C[C@@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 1637663523 UCLDWMTZCFYQEB-MOPGFXCFSA-N 448.361 1.953 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@@H]2CCOC2)CC1 1648474074 YJZWVEBPOKIJMR-YUXAGFNASA-N 430.524 1.662 30 10 IDEE CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NCC#C[C@H]2CCCCO2)cc1[N+](=O)[O-] 1648586603 PCXHNAMEFACOPD-OAHLLOKOSA-N 438.506 1.382 30 10 IDEE CC(C)[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1 1652133837 FKRDBLQXCIGEHN-HXUWFJFHSA-N 440.500 1.737 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1c1ccccc1 1653806175 CXWWEZSYAYNZRQ-RTBURBONSA-N 437.500 1.392 30 10 IDEE CC(=O)NCC(=O)N1CCCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 1654468897 GFFAQCRCNDCZAF-UHFFFAOYSA-N 433.940 1.566 30 10 IDEE CN(Cc1ccccc1S(N)(=O)=O)S(=O)(=O)c1ccc(Br)c(C#N)c1 1655444101 HAEAXAXVTCOVBD-UHFFFAOYSA-N 444.332 1.789 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 1670658018 WOVYZKRDSCEHRS-CQSZACIVSA-N 433.452 1.756 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NCc2nc(C#N)cs2)CC1 1687729584 KBKGMLJQLUXRNN-HNNXBMFYSA-N 448.549 1.768 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1689986439 QARMQKGYJRRLHJ-QGZVFWFLSA-N 445.545 1.107 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1690046497 CHFXVCQNOMZMLJ-GOSISDBHSA-N 433.578 1.292 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690155686 MOIBWNZPXURNFN-WBVHZDCISA-N 432.594 1.525 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690173019 UDICLJGXWOICAL-IBGZPJMESA-N 446.621 1.631 30 10 IDEE C=C(Cl)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690359065 ROGDMHKNMAXAKD-LJQANCHMSA-N 427.933 1.366 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690672770 CSOZZFHNCVCWKH-GOSISDBHSA-N 440.548 1.588 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677142 OTNLCEVDKAQOGS-XMSQKQJNSA-N 435.569 1.874 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1691004544 SCOVXUQYKVQTCM-WWNBULGVSA-N 437.566 1.504 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCCC(=O)N(C)C 1693745559 FZWUYZJVAZNVAK-INIZCTEOSA-N 448.535 1.518 30 10 IDEE CCN1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1695867421 APHAOMKKXIWXSS-XXBNENTESA-N 442.612 1.670 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCCC2)CCO1 1696964256 IAWIANIJDNOAOM-FXAWDEMLSA-N 437.548 1.500 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCN(CC)CC1 1705490375 JKMOKASTFIVQJC-SFHVURJKSA-N 441.580 1.881 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC=CCC1 1705547402 RVIOXCAXQMBVBY-UHFFFAOYSA-N 427.578 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1705596980 SKTIRZAEYGKGEZ-FGZHOGPDSA-N 446.555 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCC=C)CC1 1705643696 PEWFCMMMWCYYOC-UHFFFAOYSA-N 430.578 1.399 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705651866 JZQRMYYCRPNPSK-KRWDZBQOSA-N 441.561 1.644 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705687695 IHRIPNJWAVMIPI-LXTVHRRPSA-N 445.383 1.808 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705737738 ATFOKAWGMJHMPY-GOSISDBHSA-N 439.520 1.061 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1706516356 BJPJFVIPZUIUEN-LEWJYISDSA-N 435.532 1.902 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1710000181 SVZZWECOVIOLCQ-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)C1 1711340443 VCCHXIUHCWQQTE-LJQANCHMSA-N 426.521 1.832 30 10 IDEE COCCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1712359510 XLNVVBSBYXKAIF-INIZCTEOSA-N 437.504 1.737 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCN(CC)CC1 1722299888 UTWJKHMWJIROLI-ICSRJNTNSA-N 426.613 1.871 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722321399 DZVXZYBRVPGVKV-UHFFFAOYSA-N 438.598 1.470 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722399565 WUPCKUDQBMBDOG-GOSISDBHSA-N 431.587 1.817 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1722428833 KVLUDOSABQATNK-RTBURBONSA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC(F)(F)F)CC1 1722446768 AZCYXMCIEPUUAN-HNNXBMFYSA-N 429.443 1.674 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1722511037 XYZQUKYLQIHMHQ-HBFSDRIKSA-N 433.553 1.796 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1722618880 WONVSACTQWERNW-SJORKVTESA-N 426.587 1.108 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722631246 IEQONISHQULENS-HZPDHXFCSA-N 449.581 1.179 30 10 IDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1722651156 FJBNUQCJWDHVOM-GOSISDBHSA-N 433.582 1.719 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722695074 RUAQSGUATZXWDO-AOMKIAJQSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](COC(C)C)C1 1722695096 SIPXTQXAUNRGCF-QGZVFWFLSA-N 443.504 1.606 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722697323 HWQHJXPXLYGMHV-DLBZAZTESA-N 438.532 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722726760 DWTJAWYAGZBBDM-MRXNPFEDSA-N 434.566 1.567 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1722867172 FAQQCFJPHJHXQG-GJZGRUSLSA-N 448.524 1.345 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNc2ccccn2)CCOC1 1723692494 PANIELFSYSQSAG-GCJKJVERSA-N 441.536 1.945 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1723911964 QFKPDYWYVOTOBK-CRAIPNDOSA-N 430.534 1.741 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCSCCCO 1723941751 IOPKCPWGKSGRSU-YOEHRIQHSA-N 430.600 1.134 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729305206 AOKSXYXNXBFWKW-ROUUACIJSA-N 437.504 1.157 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)N2CCOCC2)c1 1730007404 FFTCAGFFCIWNOY-HNNXBMFYSA-N 428.493 1.559 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1730418465 HOVOKEVEPIEOLB-UHFFFAOYSA-N 438.517 1.320 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1730599777 NHFAYFALVGMJQM-NYAYQYMKSA-N 441.492 1.040 30 10 IDEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730672638 VBSDEDBBSGIUQS-INIZCTEOSA-N 441.540 1.220 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740551706 VBPFOGFCPVSVSD-AWEZNQCLSA-N 435.488 1.334 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1740554381 YQIHISUDQIPZCI-PXNSSMCTSA-N 427.574 1.696 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1740622475 YPJGOWISELCBHQ-QGZVFWFLSA-N 425.514 1.848 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCOC)CC1 1740689780 HWIJNSIKXKFZRQ-UHFFFAOYSA-N 430.940 1.653 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC=CCC2)CC1 1740702075 HSWOVHIHPYROEN-SJORKVTESA-N 448.593 1.210 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCc2cnn(C)n2)CC1 1740705830 NBBVEPIPKWZTOR-UHFFFAOYSA-N 426.569 1.594 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1740744913 ZYSQLBDPMJSGRT-CQSZACIVSA-N 442.358 1.812 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740750587 SDVPJZXFKQCKBZ-CQSZACIVSA-N 427.347 1.248 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1740844133 WOWURLVLYYDZFR-JYJNAYRXSA-N 429.587 1.731 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1740890764 IMYHUVRZYHHVQO-INIZCTEOSA-N 429.550 1.804 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)F)C1 1740977339 GDPGHCAQHQLYFJ-HNNXBMFYSA-N 449.458 1.879 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1748672696 WTUBQVXXXSNFJX-YIQPMRTKSA-N 434.587 1.565 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1748968680 IESQCEDQOPCGHJ-LJQANCHMSA-N 446.573 1.995 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)C(=O)NC)CC1 1748987062 PMGLGLSRHRXVIR-UHFFFAOYSA-N 446.559 1.658 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN(C(C)=O)C1 1760222739 WVJVBFIEBMHMBJ-HKBOAZHASA-N 427.549 1.724 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1760259902 RIYLARPLEYXQIS-KRWDZBQOSA-N 426.496 1.705 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1760337135 DJXVPYTUXZHNMN-QGZVFWFLSA-N 443.639 1.953 30 10 IDEE C=C(Cl)Cn1c(C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760366556 CITJEZVMCXBROJ-RDBSUJKOSA-N 431.946 1.466 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(F)c1 1760527535 ZTXXOWHPNLCDKH-UHFFFAOYSA-N 430.484 1.487 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1761361129 AZGKCYUTGONVSJ-ORAYPTAESA-N 439.488 1.435 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C#N 1766719485 WAVLRZBHGSQFKF-MAUKXSAKSA-N 448.549 1.716 30 10 IDEE COCCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1769913050 IEWKNGCRCMTXQE-UNEBPCJRSA-N 445.568 1.160 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1772842421 BWGKEXOLQVCHBL-LSDHHAIUSA-N 442.524 1.080 30 10 IDEE C=CCOC(=O)N[C@@H](C(=O)O[C@@H]1CNOC1)c1ccccc1I 1850430399 FTOKJBFETYGKMA-ZWNOBZJWSA-N 432.214 1.691 30 10 IDEE C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CC[C@@H](NS(C)(=O)=O)C1 1851547363 OLMYNDRMPGEDLK-NVXWUHKLSA-N 437.525 1.942 30 10 IDEE Cn1ccnc(N2CCC(N(Cc3ccc(F)cc3)C(=O)c3cnc(C#N)nc3)CC2)c1=O 1853489137 MRWSYRHBBWVWNA-UHFFFAOYSA-N 447.474 1.892 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4C3)C(=O)C2)cc1 1854038539 VTNIRGFSNIXAPT-KRWDZBQOSA-N 425.466 1.169 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)[C@H]1C 1854735551 LKLAEPOSCRLESD-SJORKVTESA-N 437.537 1.862 30 10 IDEE COc1cc(C)c(C)cc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858336576 UGBFBLQGMZZQTN-QGZVFWFLSA-N 449.554 1.925 30 10 IDEE COCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)C 1870323923 MYWGEBZOZIQEPA-UHFFFAOYSA-N 430.530 1.996 30 10 IDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540991 MVHLUIGGBRIPJH-UHFFFAOYSA-N 428.493 1.417 30 10 IDEE CCn1nc(Br)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1881513718 SDNYMGCLGYJASW-RYUDHWBXSA-N 428.335 1.505 30 10 IDEE C=C[C@@]1(CO)COCCN1C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2022245087 BGTPRVGRYIRYFP-AUSIDOKSSA-N 433.549 1.788 30 10 IDEE C[C@@H]1COC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N1C(=O)OC(C)(C)C 2124540007 BPYTXRSUOWBRCO-HIFRSBDPSA-N 448.329 1.739 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243405806 NGVWCUFCZQDFMT-UHFFFAOYSA-N 438.293 1.527 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2248395777 QOYZINLRZIOJNF-KRWDZBQOSA-N 448.301 1.746 30 10 IDEE CCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2255657845 VDACNLFZDQPOPM-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CN(CCOCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255659125 NTHHEGXULNRECP-UHFFFAOYSA-N 438.334 1.322 30 10 IDEE Cc1cccc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255676443 QNAHNFYOFZQCHR-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255706448 JLIHZFDDZRFNPR-UHFFFAOYSA-N 436.314 1.538 30 10 IDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255875102 RIVCPYVGHCTAIS-UHFFFAOYSA-N 442.272 1.666 30 10 IDEE CON(CCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255882425 OCQYGCKHIPRQAL-UHFFFAOYSA-N 436.318 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256066655 GABFWAOGYPDTMZ-CQSZACIVSA-N 430.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2267567916 NRLOTPINSVBUEU-FXUDXRNXSA-N 449.357 1.805 30 10 IDEE CON(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267603201 YWNGBNBMUGVOJL-CQSZACIVSA-N 448.329 1.789 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC[S@@]1=O 2282306899 ULJOQOIVLCKWHH-FORDYWAESA-N 439.817 1.842 30 10 IDEE CC1(C)OB(c2nc(=NC(=O)c3cc(Br)c(F)cc3N)s[nH]2)OC1(C)C 2286874870 YBPYTWAXINLKKZ-UHFFFAOYSA-N 443.107 1.995 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(C=CC(=O)O)cc3)cc2C1=O 2332198125 KRRQKMJJZJWNGL-UHFFFAOYSA-N 442.391 1.715 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2337194339 LBTPNEUDJWQERY-RRFJBIMHSA-N 446.357 1.847 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2337196493 LLYYRYOJDIVGGE-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE C#CCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2c(OC)ccc(OC)c21 13794459 RKRFFLPQMXQBSX-ZIPFOMIPSA-N 437.543 1.595 30 10 IDEE C=CCOC(=O)C1=C(C)N(CN2CCOCC2)C(=O)[C@]12c1ccccc1-c1oc(N)nc12 20569075 VPXKWDXWWRUKLJ-HSZRJFAPSA-N 436.468 1.658 30 10 IDEE C[C@H]1O[C@@H]([C@@H]2CC=CC3=Nc4c5c(c6c(c4=C32)=CN=C6)C2=CC(=O)CCC2=N5)C[C@H](O)[C@@H]1O 31544660 UUPBSFCIYSECSA-LTTGSBCUSA-N 441.487 1.402 30 10 IDEE in-vitro Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCC3(CC#N)CC3)CC2)c1 431170582 CLEFOZPUASCIKC-UHFFFAOYSA-N 446.573 1.727 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1 467689505 VFBWOJWKVWJURX-OAHLLOKOSA-N 433.921 1.936 30 10 IDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 472500908 NLHBMKQBFKJVSI-LJQANCHMSA-N 435.406 1.234 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 481141258 KWRDQFCVHCTSTP-MRXNPFEDSA-N 432.546 1.476 30 10 IDEE COCCc1ccnc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 490327114 MDXHZPFXWWLNSV-UHFFFAOYSA-N 429.502 1.681 30 10 IDEE Cn1c(N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(C#N)c(=O)n(C)c1=O 500913831 DDKAGFXDNFUNKO-OAHLLOKOSA-N 433.472 1.315 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(c2nccn(C)c2=O)CC1 508840784 MZEKPIKKIIVKSE-UHFFFAOYSA-N 446.559 1.837 30 10 IDEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 508876899 ZLNZMOLHGMNCTH-UHFFFAOYSA-N 432.956 1.593 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 509002854 UILXBYAKYXOBPB-SFHVURJKSA-N 430.484 1.452 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccc3c(c2)CCO3)CC1 512032040 DIGFPQOKVIEOMT-UHFFFAOYSA-N 440.525 1.752 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)ccc1Cl 515738318 PACPUWQBMOMUCZ-UHFFFAOYSA-N 440.934 1.370 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 517440513 VVQDCTWWDBRMOH-IBGZPJMESA-N 445.545 1.796 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@]2(CCOC2)C1 517967264 ATKQLSDSSGTZPC-HXUWFJFHSA-N 432.550 1.810 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCOC1 533086010 UJZAKZHUJMTULW-AWEZNQCLSA-N 439.493 1.727 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(OC)cc(C)n3)c2=O)cn1 540695080 TXFCEBOVHWNLFB-UHFFFAOYSA-N 449.536 1.700 30 10 IDEE COC(=O)c1sccc1N1C(=O)C[C@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546914139 AUOHTFZZBNFRBF-HNNXBMFYSA-N 425.470 1.255 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(N4CCCS4(=O)=O)c3)CC2)n1 546917356 VWCBDRABBHKQQK-UHFFFAOYSA-N 426.502 1.847 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CCS(C)(=O)=O 590410244 GQGIYJAXCKYJIX-HOCLYGCPSA-N 427.548 1.041 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@@H]1CCCO1 603799746 SLEFQHHOAFTFNG-SFHVURJKSA-N 425.554 1.817 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccccc3OCC#N)ncnc1-2 729461522 XLMSAWMOGCOVNH-UHFFFAOYSA-N 430.266 1.244 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCc1ccc(C#N)cc1F 729884159 HJSGBMWUBXWTRG-UHFFFAOYSA-N 430.461 1.153 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCNC(C)=O)c1 730144949 UUFIPZBJOSWMMU-LJQANCHMSA-N 443.573 1.194 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 732795738 VQIQBYCDQIMNSE-UHFFFAOYSA-N 441.516 1.910 30 10 IDEE COc1ccc(CNC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1C#N 746784329 CRHZNLXYIQLPAX-QZTJIDSGSA-N 427.549 1.899 30 10 IDEE C#CCN(C(=O)CCn1c(S)nnc1-c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 747368346 RUNCKZYYDRWMQD-MRXNPFEDSA-N 448.570 1.672 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)ccc2c1=O 752721779 FTOUPGZPCIWMBR-YEJXKQKISA-N 441.513 1.322 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768419939 ALXVGMACAJKPHG-INIZCTEOSA-N 429.550 1.323 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)c1 771292810 LBWORDMFFXXJOS-XMMPIXPASA-N 448.479 1.507 30 10 IDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)C1 780209084 HEJOXPQEKMUAGQ-IERDGZPVSA-N 427.501 1.632 30 10 IDEE Cc1ccc(NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 780213054 CBXHWLLZXBMISU-IBGZPJMESA-N 431.470 1.332 30 10 IDEE Cc1cc2c(N3CCN(C(=O)NCCN/C(O)=C4/N=CC=CC4=O)CC3)ncnc2s1 780436387 CUTHZNKHQFONTA-VLGSPTGOSA-N 441.517 1.358 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)n1 788695303 IMIKELJIPTUPRU-UHFFFAOYSA-N 434.518 1.064 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 820175127 SSROEWKMLYNZFZ-GOSISDBHSA-N 429.440 1.657 30 10 IDEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc(OC)c2O)n1N 1083953717 XSQHDBYCJKTAPQ-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn(C[C@H]3CCOC3)nn2)c1 1125189328 SQVUMCPRHHLCAM-ZLFSKHNOSA-N 432.506 1.380 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(=O)NCC)c2)c1 1137179847 ZYJLWJYBEXSTSU-UHFFFAOYSA-N 428.510 1.929 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1(C#N)CCCCC1 1147668438 JQSIGVVYQSPBFC-KRWDZBQOSA-N 441.575 1.358 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2CCOC[C@@H]2C1 1153915075 AOKYUBTXWPAOCL-AZUAARDMSA-N 426.517 1.936 30 10 IDEE CN1CCN(C)CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1156962108 FSVITDIXEXCWLC-UHFFFAOYSA-N 426.521 1.728 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)C2)nc1 1178466862 YMLZUVDUSPURHL-HOTGVXAUSA-N 445.570 1.957 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1179869649 FLNLDVOTJXZOGP-UHFFFAOYSA-N 448.526 1.226 30 10 IDEE Cc1c(I)cn(Cc2csc(CC(=O)N(C)C)n2)c(=O)c1C#N 1189225022 ILSRLTZYOJSOFS-UHFFFAOYSA-N 442.282 1.769 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OCC 1194187069 PIWHSWKUOVQPQN-OAHLLOKOSA-N 430.548 1.647 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C[C@@H](O)COc1ccc(CC#N)cc1 1196185642 CNOAUPBFJLWMSB-XMSQKQJNSA-N 435.521 1.080 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)n1 1230337429 WSAHRBIRSGNCPJ-UHFFFAOYSA-N 434.537 1.813 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)c1 1252506453 DGDTYJIHBKYODI-UHFFFAOYSA-N 445.520 1.809 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286396212 WBDGBLTVJGQTLU-CQSZACIVSA-N 425.461 1.512 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-c1cnn(C)c1 1286464933 HGMTVFOJIIPMOA-FQEVSTJZSA-N 433.516 1.764 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)C)CC1 1286473275 JUNWAOSBUYPMAM-UHFFFAOYSA-N 448.369 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCCC2)CC1 1286480443 WVXODWVNIXCADB-HXUWFJFHSA-N 427.597 1.641 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCCN1CCN(CC)CC1 1286528411 ZOKQRBJOTUHCEL-XMMPIXPASA-N 441.624 1.810 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286700476 NPYBNZQHCHCADF-OAHLLOKOSA-N 430.596 1.550 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1286787766 JFVPGJDLXOFTBT-GOSISDBHSA-N 432.569 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286822085 YUZXBGXLYMWFEE-UHFFFAOYSA-N 425.599 1.772 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2CCS(=O)(=O)CC2)CCOC1 1286962106 VEMDUMBYKGTNFS-OXQOHEQNSA-N 439.582 1.739 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOC(C)C 1288158491 MPBMSRFWEXMVJU-UHFFFAOYSA-N 426.525 1.435 30 10 IDEE Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1290450942 VGJMDGHUQKXLSW-KRWDZBQOSA-N 441.381 1.719 30 10 IDEE CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1292263980 MJPJIBRPVSPLNS-FNHZYXHNSA-N 442.520 1.962 30 10 IDEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1293782891 AFUZXPLQVLTBJR-JVMRMLDLSA-N 429.525 1.246 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)s1 1295200999 IQOGGBKTYAATSK-HNNXBMFYSA-N 433.555 1.956 30 10 IDEE Cn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCO)c2ccccc2c1=O 1298902867 JAWHRNONSXQUPX-OAQYLSRUSA-N 425.468 1.797 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H]1C 1300569181 FIXKSWGFBCNIRF-LJQANCHMSA-N 429.532 1.868 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCCC[C@H]2C)CC1 1300681294 MBBJQPCSUMSJLR-OAQYLSRUSA-N 441.624 1.924 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCS(C)(=O)=O)CC1 1300683141 LTQYVKBYTONHMX-KRWDZBQOSA-N 449.552 1.747 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(N)=O)C1 1300893505 ZVDALMPDAHPQBM-MPGHIAIKSA-N 444.561 1.562 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1300915646 PPCTVPGZSRUXLM-AEFFLSMTSA-N 440.614 1.496 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1300990524 FRRMYZLQIVYGKT-HNNXBMFYSA-N 430.509 1.561 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301041079 JSHKOLQLBHJUBM-FVQBIDKESA-N 429.974 1.090 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301492983 SVVQUWWOMDCZEF-UHFFFAOYSA-N 447.561 1.659 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1301494352 LRYRIJVUPHPSHG-FYYLOGMGSA-N 431.540 1.844 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301500998 SEONPMZYXSRREZ-GOSISDBHSA-N 444.580 1.750 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301728093 UWLBGCLXNSRAGB-JOCHJYFZSA-N 439.520 1.426 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)C1 1302983304 WXWCMCFGTDTROD-DYESRHJHSA-N 433.532 1.079 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1305789279 DGRDDMPSYLXQPW-GOSISDBHSA-N 445.568 1.718 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)CC1 1307196362 RXRFCCDKRBNRQF-UHFFFAOYSA-N 425.436 1.752 30 10 IDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1308115471 YNBOCPLVUFTCAX-IERDGZPVSA-N 442.541 1.326 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1314567263 ITZIZANMDBJQKQ-KEEVHDRGSA-N 428.518 1.616 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1315355488 NVKQBNBFMFIFKR-YLJYHZDGSA-N 443.504 1.887 30 10 IDEE COC(=O)c1cnc(N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)s1 1322522906 ORNASIZBGPVAMA-CYBMUJFWSA-N 427.442 1.669 30 10 IDEE N#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1349654266 RAZZOBMWWOPPIV-UHFFFAOYSA-N 443.481 1.507 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(=O)C(C)C 1358941826 ZHFNGUDLKNDPII-UHFFFAOYSA-N 446.577 1.427 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358960872 NHHYHNBZCQLMEQ-CVEARBPZSA-N 437.472 1.391 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCN(CC(F)(F)F)C2)n1 1359027663 QRXSTSFUSZPBJF-KRWDZBQOSA-N 439.486 1.953 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)N2CCCCC2)CC1 1359043682 DKHYFUDBBRNEAT-UHFFFAOYSA-N 437.548 1.642 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359133630 WNWAFKWEIDOHJX-HLIPFELVSA-N 440.566 1.157 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1359240475 PCWWIMNOHKUTMQ-KRWDZBQOSA-N 429.546 1.978 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1359240476 PCWWIMNOHKUTMQ-QGZVFWFLSA-N 429.546 1.978 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359296671 QIMSPDKOKONCPF-QFIPXVFZSA-N 440.504 1.123 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359336724 ZYTARJIWFGRETJ-UHFFFAOYSA-N 448.597 1.739 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359471446 SILBSDFGIGHOPL-RYRKJORJSA-N 444.565 1.535 30 10 IDEE C#C[C@H](NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N)C(C)(C)C 1436653875 KAMSZPAQVGUMRO-HNNXBMFYSA-N 449.552 1.111 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@H](CC#N)C(F)(F)F)C1 1439459877 VPRZFDPCVYNSKX-UEKVPHQBSA-N 425.429 1.229 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2C1 1447789533 FNPNYLAAJVHKGL-UHFFFAOYSA-N 439.472 1.778 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc(-n3cc(Br)cn3)cc2)c(=O)nc1O 1453839807 DCCKNDNRAHHFAZ-UHFFFAOYSA-N 429.234 1.199 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454874455 GUMDLXZYRRMUOF-OAHLLOKOSA-N 441.488 1.585 30 10 IDEE C=CCC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1455681955 MEBNWSLMMMJOKM-GOSISDBHSA-N 436.574 1.667 30 10 IDEE CSC1([C@H](C#N)N(C)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 1462379373 OOAKPEOLHWNCIN-AWEZNQCLSA-N 429.589 1.558 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC 1471013275 OYNZMPHLQIRNDH-STQMWFEESA-N 438.930 1.211 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C2)c(=O)nc1O 1472370947 MOFYPLMHMCUTNZ-ZDUSSCGKSA-N 431.246 1.533 30 10 IDEE COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1475593494 DZHVSSTWMHPZKS-UHFFFAOYSA-N 443.481 1.642 30 10 IDEE CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1500876963 FRKRJOINGGXKKA-MRXNPFEDSA-N 431.566 1.492 30 10 IDEE CCN1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1502306357 UTWCWMRMVFJTMR-VXPUYCOJSA-N 429.525 1.062 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1502969644 SIBWVNXQBUYPPK-ROUUACIJSA-N 437.504 1.810 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCSC1 1503110129 XYPPSOBEGRQKMC-HXUWFJFHSA-N 429.550 1.276 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1503398624 BBIRXHKOUKWAKM-FPOVZHCZSA-N 440.548 1.890 30 10 IDEE CS(=O)(=O)CCOCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505136648 FFKDNCFINUULOI-UHFFFAOYSA-N 446.533 1.142 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C 1507519891 KZWYRLHXPXVBEB-HNNXBMFYSA-N 427.534 1.685 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1507589601 XWQYALDYUJZWIE-QGZVFWFLSA-N 429.550 1.019 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507631039 AZZVECLCWFCPGW-RTBURBONSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1507637701 MGRSDRBZHTWKSK-MSOLQXFVSA-N 430.530 1.445 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1507680719 HYGNPGRURIPKOW-LBPRGKRZSA-N 434.298 1.483 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1507724494 GACVSODUQWNYQI-NRFANRHFSA-N 425.581 1.396 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@H]2C[C@H]2C)CC1 1507729921 LFMVMQVZCWSJGZ-SQNIBIBYSA-N 430.553 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(N)=O)cc2)CC1 1507736752 RDJCCKSKKIKNFJ-UHFFFAOYSA-N 431.500 1.386 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C2CC2)N(C)C)CC1 1507738857 GGKFGPJHWHCOOD-WOJBJXKFSA-N 428.581 1.826 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1507778699 GASCQILSUCCOBJ-CZUORRHYSA-N 448.387 1.804 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1507915470 VTPZCAHRMBPMKS-HNNXBMFYSA-N 426.587 1.549 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCC)CC1 1508080036 HXLJJNLBPSTXQH-UHFFFAOYSA-N 426.525 1.170 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1508092670 SGSUJIZXOWYBGI-LSDHHAIUSA-N 431.497 1.169 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1508160936 JQWVAMCBYPAXAD-CQSZACIVSA-N 448.636 1.113 30 10 IDEE Cc1nccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1511610084 AYAVPEHUDQZETM-UHFFFAOYSA-N 425.518 1.647 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C#N)cn1CC 1525796292 PQZNJTNXLHZROV-UHFFFAOYSA-N 429.477 1.996 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1535344712 GUVDCEDDFJLMAQ-LIRRHRJNSA-N 425.844 1.783 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(Cn4ccc(C(F)(F)F)n4)cc3)C[C@H]1CS(=O)(=O)C2 1538539835 NLYSXYRGRFCMHW-YJBOKZPZSA-N 438.431 1.961 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1539149437 SWRFLPAZQLMKAX-LLVKDONJSA-N 431.444 1.009 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1539212719 RVVCZNPYBHRGCE-KRWDZBQOSA-N 449.964 1.704 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1539526266 MDCMOOMMZPNMFL-UHFFFAOYSA-N 436.541 1.906 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCNS(C)(=O)=O 1539548052 DQDMCUNHERGUHA-HXUWFJFHSA-N 433.534 1.504 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1540854964 PZRBYXSKOSTWNR-MRXNPFEDSA-N 430.490 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@](C)(CC)C2)nnc1[C@]1(OCC)CCOC1 1540908724 MLTHGQYJFHBYPD-UXHICEINSA-N 442.582 1.536 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1[C@@H]1C[C@H]1CF 1541942908 MLPODHDCTNOBMV-UWWQBHOKSA-N 447.540 1.617 30 10 IDEE COCCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1542840799 WFVYUJHBWITDKR-OWCLPIDISA-N 429.539 1.045 30 10 IDEE COC(=O)C1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1542949105 REBIUSIJDJCXRU-KRWDZBQOSA-N 446.935 1.956 30 10 IDEE CCN1CCN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1543829684 XJCJQEVUYMNTIL-KPRXVCGWSA-N 433.597 1.917 30 10 IDEE CCn1c(=O)c2ccccc2n(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1=O 1545010486 LEYDMQPKAOJXHG-UHFFFAOYSA-N 428.452 1.938 30 10 IDEE COC(=O)c1ccc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1545169850 BLDJSQAVSIMCBD-QGZVFWFLSA-N 444.513 1.638 30 10 IDEE CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 1545776276 AWWAXYUKDSECPB-WFASDCNBSA-N 430.324 1.534 30 10 IDEE CCCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1547061941 JZRPJTDCMQXWMC-GOSISDBHSA-N 439.520 1.875 30 10 IDEE COC[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555372829 LDVCIKWVTDNUEG-QBNCKDSPSA-N 442.545 1.930 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1587639314 KWDKVHPZHRJLPU-WMZOPIPTSA-N 432.546 1.712 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1587990490 YIWDGLHGABTYRC-LJQANCHMSA-N 440.529 1.277 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588053069 AREGZSNKKGNZHV-KURKYZTESA-N 449.577 1.205 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1588140348 VMRXRAIWVYAXNZ-MRXNPFEDSA-N 434.468 1.903 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1588645833 DBIYWLCPLHKVAR-GJZGRUSLSA-N 430.621 1.115 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1593696508 RLVLDZJDLDXPEJ-KRWDZBQOSA-N 440.614 1.546 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1CC 1593746826 ODCOAQVMIMAASC-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1593747557 YUXACTRWQXZHKW-FQEVSTJZSA-N 446.596 1.509 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)CC1 1594097330 RACQIMMNWTXLFD-HNNXBMFYSA-N 431.509 1.813 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1594448234 CCBVHFMOHKYUTG-UHFFFAOYSA-N 441.536 1.823 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595545397 XGMMAAAPMDDKLI-KRWDZBQOSA-N 429.525 1.005 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCOCC2)C1 1595738766 UWOVJRNOWJMXAQ-GOSISDBHSA-N 426.521 1.327 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)s1 1610940027 SEEXNLAQLFTAGY-OAHLLOKOSA-N 427.592 1.766 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 1611467011 GQKAQKPTMMWJDZ-NRFANRHFSA-N 426.538 1.980 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1612653921 ORNXUTQGSJADMT-HNNXBMFYSA-N 433.472 1.393 30 10 IDEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)OC 1614411005 CXPCYGZZLGPYIP-MJGOQNOKSA-N 439.520 1.758 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(CC(=O)OC)c2ccncc2)s1 1617290204 IPFZPYUUJYDIDG-IBGZPJMESA-N 437.543 1.745 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1620172784 PYILRRXVFLTWTB-INIZCTEOSA-N 430.534 1.107 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CCO1 1622233901 HDWIPLHOCKGVHH-QGZVFWFLSA-N 443.367 1.472 30 10 IDEE C=CC1(CC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1623951475 RCXXLWVBKFRLSE-FOIQADDNSA-N 428.551 1.652 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@@H]3C)cc2)CC1 1625066615 LWYWXPADMRIQQF-HNAYVOBHSA-N 433.534 1.065 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)s1 1625889813 FXYZNMFPKMCOHK-UHFFFAOYSA-N 443.572 1.603 30 10 IDEE CC(C)(c1nnc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)o1)S(C)(=O)=O 1626374195 BSDHZKJUARDVJK-UHFFFAOYSA-N 437.909 1.837 30 10 IDEE Cc1sc(=O)n(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1-c1ccc(F)cc1 1627136745 NWXJMNJUDOWVLI-IFXJQAMLSA-N 435.502 1.421 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)C2)C1 1632963428 KWAJCIPFFVXYCT-UQGMKSHTSA-N 437.562 1.951 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)C1 1633679535 QECXLPIXQRTPJI-CQSZACIVSA-N 437.472 1.894 30 10 IDEE C=CCONC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1635306411 NSLNXBKPLJYUMS-UHFFFAOYSA-N 441.510 1.575 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3c(Br)cnc3C2)c1 1638568812 IFQLTFXCUUXNMX-UHFFFAOYSA-N 427.255 1.738 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)CC1 1638651922 STOAWZLQKBXYHP-ZDUSSCGKSA-N 426.926 1.131 30 10 IDEE C#CC[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)OC 1638826517 KWEQBTDGSMVPAU-MRXNPFEDSA-N 436.511 1.633 30 10 IDEE CON(C)S(=O)(=O)c1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1649036147 ZSHIUIRUPKZPNT-UHFFFAOYSA-N 447.469 1.386 30 10 IDEE C#CCOCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1649058158 YHULNPINSKYWAY-UHFFFAOYSA-N 430.482 1.616 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)c1 1653697752 DIFZYSKRYMWRMR-UHFFFAOYSA-N 449.554 1.414 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 1654703675 DNDUATAEFGKQFK-INIZCTEOSA-N 441.937 1.981 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC)C(=O)OC 1663037951 RSOURCWWNOECLK-GFCCVEGCSA-N 425.381 1.515 30 10 IDEE C=CCOc1ccccc1CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1678917259 YUKRQOCURXVJFT-BATSVXPKSA-N 436.530 1.950 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cc(CO)nn1 1689847320 XFXFZWSKAZDNOA-KRWDZBQOSA-N 431.504 1.763 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1689966365 PXMDUACDHMIQNR-AWEZNQCLSA-N 432.493 1.081 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689993125 WANBTHPWFQLORI-IRXDYDNUSA-N 432.546 1.943 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)C 1690092408 HGTLTYZNTNUYBW-PXNSSMCTSA-N 429.496 1.869 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCO[C@H]2CCOC2)CC1 1690142526 PRRKPMSOAIQHPG-FQEVSTJZSA-N 438.532 1.502 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690304666 KNKQXUHXMAWSHO-SJLPKXTDSA-N 445.476 1.806 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690328886 PIPFTJSFESZPJM-IUODEOHRSA-N 442.977 1.691 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(F)c1 1690661325 ZJHBLNQEQVOZFB-LBPRGKRZSA-N 442.492 1.105 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccc(Br)cc2C1 1690669682 MDPSTCSRPJOEFQ-HNNXBMFYSA-N 445.321 1.814 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690731805 QJQSOHAKOVICBR-NVXWUHKLSA-N 437.566 1.225 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1690742304 MCSYXCBEWOORPZ-MRXNPFEDSA-N 433.582 1.533 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C)CC1 1692793375 GQDXRUYDLHUKQD-HNNXBMFYSA-N 444.565 1.282 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCO[C@H]1CCCC[C@@H]1C 1692799007 DWIAGSXKKANPAN-NXOAAHMSSA-N 440.570 1.212 30 10 IDEE CCCNC(=O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1695445805 BRXOJZXDNVJJSQ-XHSDSOJGSA-N 447.540 1.304 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1695505933 NJTLNRRSRSNPTH-UHFFFAOYSA-N 437.504 1.018 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1698028196 AVDORJJHYXDQKY-FQEVSTJZSA-N 435.536 1.828 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1698196892 JPEBSNRKNFLLKY-KRWDZBQOSA-N 428.493 1.545 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)n2CCOCCCO)cc1 1698487545 QLDWUANYMIZEID-UHFFFAOYSA-N 433.516 1.937 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1705524899 UUJQWKRSUOGUSJ-QFBILLFUSA-N 442.545 1.751 30 10 IDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705526861 QYISHTOEZWWHFI-GOSISDBHSA-N 443.504 1.336 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1705541721 PQUVJKAONWQONT-HNNXBMFYSA-N 444.561 1.745 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705565486 VCGGZZMRZFFEFX-IPMKNSEASA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705566957 SHVAEGRBJWEREL-AWEZNQCLSA-N 446.455 1.232 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705571188 XPOWTPKEMVBKJI-VQTJNVASSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705580594 LKLXBIMWZRHYLO-UXHICEINSA-N 426.565 1.439 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1705583116 QIMIZBFHMJVJHK-IBGZPJMESA-N 441.557 1.875 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1705589506 RFMSSQIMMSWLIS-QGZVFWFLSA-N 445.593 1.560 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SCC)c1 1705628383 FGLWMXAMKRVGOR-KRWDZBQOSA-N 449.602 1.822 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(CC)CCS(C)(=O)=O 1705694072 NQVJSQPLKYIQOF-HZPDHXFCSA-N 427.571 1.268 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1705733272 KTXAHFYQIMLYGX-LJQANCHMSA-N 443.504 1.260 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(OC)C1 1705907168 CDMSWVWYKSCPOI-HXUWFJFHSA-N 432.550 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939575 ZWBGKQFAZOSVPT-YLJYHZDGSA-N 442.582 1.535 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CCO1 1709329816 UIRSOJAWHCJBLC-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CCN1CCN(c2ccc(Cn3c([C@@H]4CCOC4)nnc3N(C)C[C@H](C)C#N)cn2)CC1 1710270656 IQGPXYMGQPNVFO-UYAOXDASSA-N 438.580 1.963 30 10 IDEE CN(CCCc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1711190238 BWONQVBTDSSBSE-UHFFFAOYSA-N 439.545 1.830 30 10 IDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1712058177 AHLZYXHHUOGMMK-SIKLNZKXSA-N 426.521 1.411 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)C1 1712877678 RUMOYAYPANCTIU-LIRRHRJNSA-N 434.497 1.517 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 1712885223 DJJYBSDUAGVHIM-INIZCTEOSA-N 436.538 1.153 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1722275737 GALHLBIXQQNLNN-GJZGRUSLSA-N 433.534 1.440 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccc(F)cc1 1722276012 GWGNWBRQNNJPDM-HZPDHXFCSA-N 436.557 1.617 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1722346395 XENXCBYQIXLRPF-KRWDZBQOSA-N 446.577 1.151 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1722375322 BAXLGSNQKSIBDK-UHFFFAOYSA-N 441.561 1.144 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722393587 FQPAJUOHTCAVMW-UHFFFAOYSA-N 449.540 1.497 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2cccnc12 1722429270 PCADFXHTORMOSV-LJQANCHMSA-N 439.541 1.863 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCN(C)CC2)CC1 1722559648 DLFNQNSHQJHLEZ-INIZCTEOSA-N 442.655 1.872 30 10 IDEE C=CCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OCC)CCOC1 1722622600 LEDAYKVPVLJWCS-IERDGZPVSA-N 444.540 1.428 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(NC(=O)COC)CC1 1722696353 JXLFZKLJDMARAI-UHFFFAOYSA-N 426.521 1.287 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1722728053 NMDVMVNUWFVZLV-QGZVFWFLSA-N 448.545 1.790 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1=O 1723459563 HELCLUZQBYOLMJ-UHFFFAOYSA-N 437.548 1.894 30 10 IDEE CCOCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1729069510 BRZGXLKBDUJMNI-UHFFFAOYSA-N 427.509 1.072 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1729338391 AVMCYGBIKCACAD-GOSISDBHSA-N 425.537 1.487 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740551018 FNMCLPPSBAJPLH-LTIDMASMSA-N 428.516 1.033 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1740555305 FPUDOXGIJQXFRU-MRXNPFEDSA-N 426.546 1.844 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCn1c(O)nc2ccccc21 1740629158 CUDKIAIHUCKCLU-UHFFFAOYSA-N 440.467 1.754 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCOCC1 1740637242 VKGJPFUQHPQURM-UHFFFAOYSA-N 429.528 1.632 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@H](C)C1 1740639888 ZJHNUIHTNYYNJA-HDICACEKSA-N 438.532 1.578 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1740758327 WLNIRVQSTPDETH-ZWOKBUDYSA-N 430.553 1.692 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCS(=O)CC1 1740964776 UWHLWEUGYRIYKW-UHFFFAOYSA-N 433.534 1.127 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N(C)C)C1 1740970627 OLRVPQPJCZNUJH-KRWDZBQOSA-N 446.939 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@@H]1C 1740988700 NBQJNQCGDUOAFE-HNNXBMFYSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740989572 RHAPRIATQPYAEJ-FVJLSDCUSA-N 447.561 1.714 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1741114322 UVYAEDAJPYBKES-IBGZPJMESA-N 434.497 1.317 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1 1742906403 IJPJQFGCWYQWPW-IEBWSBKVSA-N 438.532 1.927 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1743361882 DYGHYEBVAKSNOL-YJBOKZPZSA-N 448.474 1.996 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)cn1 1748012875 DMVNQMOJIKPHIR-INIZCTEOSA-N 428.497 1.274 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CCOC)c1 1748650821 FKEGXBXVYQEORF-MRXNPFEDSA-N 442.545 1.698 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 1748816908 AWFLPJNXCOLZEU-HNNXBMFYSA-N 439.488 1.554 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1748905434 DJQOMBZGNGDTMW-CYBMUJFWSA-N 427.477 1.705 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2COc3ccccc3O2)CC1 1748979199 XQJQFWMAKPAWGG-MOPGFXCFSA-N 441.532 1.597 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCCCC2)CC1 1749014613 LBJBJLQGCVPSLN-IBGZPJMESA-N 442.564 1.150 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1749211444 YMUWHZIPHKIYMT-UHFFFAOYSA-N 441.536 1.823 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1749268718 GEZGOEHRJXDNOS-OAHLLOKOSA-N 443.961 1.124 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CC(=O)NC)CC1 1749677278 UJAAQAJARPTCNU-UHFFFAOYSA-N 449.559 1.936 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749677445 ZKRKFHZASOAZDB-SFHVURJKSA-N 437.504 1.635 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)C1 1751276267 AWNSZBYSXGRNGV-CKEIUWERSA-N 429.493 1.734 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1760217922 RJYJGIJTUOPRCA-QGZVFWFLSA-N 428.537 1.949 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1760226803 KDBYYLAKCNQHNX-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N(C)C)CCOCC2)CC1 1760251516 BUDRFTNEHUWADT-UHFFFAOYSA-N 445.612 1.063 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OC)CC1 1760271771 LLTNYTJUPOSHDK-UHFFFAOYSA-N 445.527 1.682 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1760478179 YOQFFDQCCMQQCV-GOSISDBHSA-N 426.521 1.909 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760525385 DCYYWHDEZCNKQM-KRWDZBQOSA-N 428.562 1.824 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760528659 JLSZXZBTICFJGU-WOCWXWTJSA-N 444.580 1.746 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(COC)CCOCC2)C1 1760549590 HTDCFZLIFRCPDH-SFHVURJKSA-N 433.553 1.625 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccn(CC)c2=O)C1 1760550412 YBJOOWXOMPDQEK-SFHVURJKSA-N 426.521 1.412 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760556674 MJXFXGCNOKSFBJ-INIZCTEOSA-N 449.508 1.250 30 10 IDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)CC1 1761546768 HKYUEKJWFUHFNS-UHFFFAOYSA-N 425.493 1.440 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1762033597 BDEIYDZZPJBIGG-HJPURHCSSA-N 435.532 1.980 30 10 IDEE CCNC(=O)C1(Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)[C@H](C)CC#N)CCC1 1765612542 AZBPGZCOWUMYMH-MRXNPFEDSA-N 448.535 1.966 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1766618672 JSLFDASADFHISJ-NQIIRXRSSA-N 440.548 1.922 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1769419159 FIENWTZTHDSHFU-MSOLQXFVSA-N 443.529 1.783 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1769899599 FTJSPBBJICCGEA-UHFFFAOYSA-N 425.537 1.357 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)(F)F)CCO1 1770746404 DJHKEAIVVUSVJY-ZDUSSCGKSA-N 439.354 1.261 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CC1 1771220151 VOXFJHDZQKEFPV-HZPDHXFCSA-N 426.525 1.789 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCOCC(F)F)cc1 1771532538 DYHNWSHGVQBWAN-UHFFFAOYSA-N 434.447 1.569 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1772567164 QSAKRWLZLAGOGS-ZWKOTPCHSA-N 428.541 1.872 30 10 IDEE COc1ccc(Cn2cc(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)nn2)cc1 1848882730 TVCADDDWOGIXNM-UHFFFAOYSA-N 436.516 1.949 30 10 IDEE COC(=O)C1CCN(C(=O)CCC(=O)N=C2C[C@@H](C)N(c3ccc(Cl)cn3)N2)CC1 1851741785 RKAZGVRIZVWMIU-CYBMUJFWSA-N 435.912 1.955 30 10 IDEE CS(=O)(=O)c1ccccc1C(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1=O 1856363069 TYLKQOVUSDIORL-UHFFFAOYSA-N 427.482 1.325 30 10 IDEE C=CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516384 HINRTSPUIZYYJZ-QGZVFWFLSA-N 433.530 1.473 30 10 IDEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc1 1862745564 LTEMOEJBLOQLHB-KRWDZBQOSA-N 426.381 1.952 30 10 IDEE CC[C@@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684851 IFKWVGAUDOXMKN-NSHDSACASA-N 426.348 1.749 30 10 IDEE CC1(C)OB(c2ccccc2S(=O)(=O)NCC(=O)NCc2ccccc2)OC1(C)C 2247893918 AICSHZLKKIUIJT-UHFFFAOYSA-N 430.335 1.581 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248587073 LJVNMFQCPUXAAH-HNNXBMFYSA-N 432.307 1.842 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255709713 ZXBPTABLNBAOAC-CQSZACIVSA-N 438.330 1.927 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267112415 GIIPARYEPSWFPP-OKILXGFUSA-N 449.361 1.584 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nc(CNC(=O)OC(C)(C)C)n[nH]1 2267181783 XEJZVEJAYFJESS-UHFFFAOYSA-N 447.305 1.114 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2267494775 HFGKCDUDWULWPZ-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE N#Cc1cccc2c1CN(S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2286040210 PQWDUHFTHWLLOK-GOSISDBHSA-N 429.454 1.583 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cccc([N+](=O)[O-])c1 2330785666 JAPLRFGUEDGALM-UHFFFAOYSA-N 434.478 1.996 30 10 IDEE Cc1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)[C@H](CCCN=C(N)N)CC(=O)O)cc1 55168268 CYOUCCQAMWOWLW-CQSZACIVSA-N 442.538 1.818 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)c1ccc(F)cc1 429895059 HHFKEDDMPJMKHE-ZDUSSCGKSA-N 430.465 1.711 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C1CCC1 430985902 BBGUIQHLMPTSBB-UHFFFAOYSA-N 442.497 1.581 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)c1 438904621 UWNYJFYJKPVLLJ-UHFFFAOYSA-N 433.511 1.862 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)n[nH]1 440746594 KBCRARRMEYNNEV-UHFFFAOYSA-N 428.496 1.796 30 10 IDEE CSc1nc(O)c(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1C#N 442970667 XHRAVTVKNRXDFU-UHFFFAOYSA-N 444.897 1.882 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 461313610 WPKUMCDEQAJMLS-UHFFFAOYSA-N 426.477 1.415 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H]3COCC[C@H]32)CC1 464852040 HSSNPMKEFGDCMX-FUHWJXTLSA-N 425.489 1.956 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1ncc(Br)cn1 486519819 QHYZRCYMBQQSHD-QWRGUYRKSA-N 438.307 1.655 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508997776 AYPJGEBXULBWKN-UHFFFAOYSA-N 440.548 1.893 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 509173677 XTQOOEYKXLNUAA-ZDUSSCGKSA-N 425.454 1.622 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1 511301020 ONZNXTVMOBSUOK-UHFFFAOYSA-N 448.531 1.082 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 514439920 GYXSVTLNPKGJGS-VQTJNVASSA-N 437.592 1.919 30 10 IDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 610004933 UXAHODDPMYSLCP-ZDUSSCGKSA-N 431.436 1.837 30 10 IDEE N#C[C@]1(F)CCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)C1 615661756 MKNDWQVCNFKROG-OAHLLOKOSA-N 432.271 1.267 30 10 IDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 670234594 QITZVWRYAZINOG-FXAWDEMLSA-N 426.569 1.634 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCO)cc1 703980485 LLBMXFLVLWYIKI-MRXNPFEDSA-N 426.494 1.697 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 728091883 PHZAHUSNCGZLQL-CYBMUJFWSA-N 442.449 1.357 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730142443 RIASALCNDFDYAZ-QGZVFWFLSA-N 437.541 1.351 30 10 IDEE C#CCN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@H]1CCS(=O)(=O)C1 731839808 OPPOMCLCAJTRSB-ZDUSSCGKSA-N 428.304 1.412 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(OC)c3)c2=O)cn1 732563379 WGLSQUPMYZESAI-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE N#C[C@@H]1CN(Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)CCN1C1CC1 732672084 CQJYRKUZNFSZCO-QZTJIDSGSA-N 433.582 1.059 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)cn1 733077664 HHHQSKSNCPQEQR-JXFKEZNVSA-N 436.582 1.329 30 10 IDEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 741062990 WEPOZSAEVWPLKO-UXPDKRSESA-N 442.563 1.398 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccc(F)n2)cn1 747794551 KXJSIEDXIKRNME-INIZCTEOSA-N 447.540 1.637 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758056527 WKKHPBXATQTVKT-UHFFFAOYSA-N 444.900 1.524 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2COC3(CCOCC3)O2)C1=O 776742740 PYSYRHJLHPPDBW-CVEARBPZSA-N 437.493 1.815 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 777751298 CMIMBBZYSKTQPD-CZUORRHYSA-N 427.885 1.416 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 780895063 ORMWPTGLLXRCRE-QUCCMNQESA-N 429.498 1.365 30 10 IDEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 782843810 TZJWZBOSQJYBQM-MRXNPFEDSA-N 444.565 1.027 30 10 IDEE N#CC1(NC(=O)COC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCC1 784191080 IMWXMOYPRMSBOO-UHFFFAOYSA-N 434.246 1.541 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCC3)CC(=O)N2C(C)(C)C)cn1 796824115 OQZMHYUDHOGEHM-DOTOQJQBSA-N 435.550 1.638 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)C2=O)n1 799140016 MTSZSKCUSLNEAU-VTCZHREGSA-N 425.533 1.669 30 10 IDEE Cn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800762655 DQVULSISIKIHOO-SFHVURJKSA-N 441.561 1.443 30 10 IDEE C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(N2CCCC2=O)cc1 803593855 CBKBXMQCKVWGEC-QGZVFWFLSA-N 446.511 1.606 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1 808113190 AHMOSSVSMOLJHH-OAHLLOKOSA-N 445.497 1.975 30 10 IDEE C#C[C@@H](NC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(Cl)cc1 810469774 AULSVBUMSGXSAM-QGZVFWFLSA-N 437.891 1.942 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 914679791 IZDZCAMIHURXOS-KGLIPLIRSA-N 443.481 1.494 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 915610954 IMANFHIICXDPEA-AWEZNQCLSA-N 435.527 1.461 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)NCc1ccc(F)cc1 1084151272 KUXKPCGHBNVHEM-UHFFFAOYSA-N 431.453 1.397 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC(F)F)c(Br)c2)CC1 1140132319 DLKLQRJVDDSMQS-UHFFFAOYSA-N 430.249 1.558 30 10 IDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1140254193 IVFOQHDOQMOSNE-PMACEKPBSA-N 446.592 1.837 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)s1 1141325899 XYCJQBHPWDEPGJ-QGZVFWFLSA-N 425.576 1.518 30 10 IDEE Cc1nc(-c2ccc(Br)cc2)c(NC(=O)Cn2cc(C#N)c(O)nc2=O)n1C 1147148526 DJDHVMNAKRJUDI-UHFFFAOYSA-N 443.261 1.931 30 10 IDEE C[C@H](O)CN1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1154894700 SDVSKKPCWZWOAJ-OXJNMPFZSA-N 428.533 1.918 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(F)nc1Br 1156584096 ALJPFXABMNXICL-SNVBAGLBSA-N 441.282 1.838 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)C2 1179869970 YAPQHKXADJQKQL-UHFFFAOYSA-N 447.361 1.872 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286313728 FGNXWDDOYFXYEM-ZBFHGGJFSA-N 435.554 1.767 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOCC1(C)C 1286441515 YIACEUBCHLDJMG-UHFFFAOYSA-N 435.536 1.491 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286453412 SIBPVLPDLJVSPK-QGZVFWFLSA-N 447.561 1.607 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1286475141 RSAZSKRCCSCWOM-UHFFFAOYSA-N 429.484 1.595 30 10 IDEE COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1288740505 UWNSCKZFTHPRMF-INIZCTEOSA-N 441.465 1.372 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1C[C@H](F)C1 1288861878 FPYGNMOCBQYXBT-QBYUYEEZSA-N 439.561 1.203 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1300307832 IXRYAMLDVOWOAB-NVXWUHKLSA-N 447.536 1.516 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1300556224 FMHGYHCHTNCKKZ-GOSISDBHSA-N 439.491 1.879 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1300601645 JQKOXQVNVJVYMH-TXPKVOOTSA-N 425.555 1.076 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300756134 GIBYBESYURUSCD-INIZCTEOSA-N 434.566 1.653 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300768442 RHBORWRGIHCNPK-IEBWSBKVSA-N 425.558 1.981 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301259939 TZZIZUZVXOBNBU-RTBURBONSA-N 427.553 1.980 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1)C1CC1 1301313936 IYBCAQWMNXCJFI-OAHLLOKOSA-N 438.598 1.834 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1301347298 TYTXEECNNFDHSP-HNNXBMFYSA-N 430.538 1.258 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301505978 DBQXJJUYFNKDGF-GOSISDBHSA-N 440.523 1.901 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(=O)NC)CC1 1301507101 WPFOJORJYPBVOR-UHFFFAOYSA-N 428.512 1.663 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c1 1302000446 JOVUOWXQTIAGBA-UHFFFAOYSA-N 443.525 1.578 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(CO)(NCC4CC4)CC3)CC2=O)cc1Cl 1306866350 DJARUDBLXYSTGB-KRWDZBQOSA-N 430.936 1.918 30 10 IDEE CCO[C@]1(c2nnc(N(CC)C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1314092225 IOBSMSLHISCCDI-RURFIKTLSA-N 432.525 1.691 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315823755 YPQOFEHDWKHQQU-SJORKVTESA-N 446.531 1.397 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1316114078 CEEPERCPAQAZGG-KSFYIVLOSA-N 442.495 1.891 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc(Br)cn1 1358968345 IQQBZYPZQQLLDE-UHFFFAOYSA-N 446.353 1.929 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1358970919 ARFHDFAKEUIDTD-UHFFFAOYSA-N 436.335 1.330 30 10 IDEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359026276 QOPCJRUQGRVCJX-OALUTQOASA-N 435.594 1.521 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2cnn(C)c2C)n1 1359028247 LYMTVTXBCQTSLL-GOSISDBHSA-N 438.536 1.355 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359048430 QSQWSBZHLHFDTH-FQEVSTJZSA-N 427.534 1.254 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359082917 XIZYQKKUVJPUBN-NSHDSACASA-N 437.298 1.581 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1359302191 ZAUBPSYTEHBGJZ-GOSISDBHSA-N 428.581 1.912 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCOCC2)C1 1359323460 PIORAUMTLNKKNA-KRWDZBQOSA-N 446.577 1.697 30 10 IDEE CC(C)(C)N1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359549729 ZMKCBBHTHLKZGJ-RJCBAWPRSA-N 443.552 1.229 30 10 IDEE Cn1nc2c(c1C(=O)N1CCN([C@H](C#N)c3cccc(Cl)c3)CC1)CS(=O)(=O)CC2 1448840118 VBVUPQIRRJGVSO-GOSISDBHSA-N 447.948 1.567 30 10 IDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(O)C2=O)ccc1Br 1450159700 WAJNYDSAKAYJNK-NSHDSACASA-N 434.312 1.246 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 1450547114 GJJVRILEZUPWGS-NSHDSACASA-N 435.399 1.654 30 10 IDEE C#CC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br)C(=O)OC 1451183295 VZHFPXDHEGBCFV-HUUCEWRRSA-N 441.347 1.982 30 10 IDEE N#Cc1cn(CC(=O)NCc2cnn(-c3ccccc3)c2)nc1I 1459143571 PZJWBXOAYYFTTI-UHFFFAOYSA-N 432.225 1.861 30 10 IDEE C#CCN(C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1)C1CCN(C)CC1 1469417917 FCXISKJMTALPCN-UHFFFAOYSA-N 432.590 1.851 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2sc(C)cc2Br)CC1 1478996778 GWZDQBITNRJACJ-UHFFFAOYSA-N 435.369 1.114 30 10 IDEE CCOC(=O)CS[C@@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1479165440 JTFVUGGDDJXXKG-IVPXEPLCSA-N 438.428 1.039 30 10 IDEE CN(C)S(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1503406408 DVALGFUXUDEJPR-HXUWFJFHSA-N 434.541 1.787 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1(SC)CCN(C)CC1 1504886264 FXDLERHOGFZERE-UHFFFAOYSA-N 432.598 1.872 30 10 IDEE COCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1504896743 UPIXYJBRUJMOBQ-JOCHJYFZSA-N 441.536 1.558 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1505073061 OUFUUNUDEAASBX-RCJHGTSTSA-N 441.529 1.411 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507634383 KEHUURLWTZDYLA-RBUKOAKNSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1507651696 AIHPKCJSWZNLHW-IBGZPJMESA-N 444.580 2.000 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1cnnn1C 1507708396 JFTHMSIOKNTRFU-UHFFFAOYSA-N 430.310 1.970 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2Cc2cnn(C)c2)n1 1507717808 ZAODZLIUJIRQPQ-FQEVSTJZSA-N 438.536 1.784 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507726101 DUMJEIRMBNASMI-HXUWFJFHSA-N 447.543 1.399 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C)CCOCC2)CC1 1507739013 KSCOJBYRUAOTSP-IBGZPJMESA-N 429.565 1.955 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507839365 CVMVCLCLOGHLTL-KRWDZBQOSA-N 436.582 1.642 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507946647 STWRISTWCBYTQQ-AWEZNQCLSA-N 436.538 1.442 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508070719 BRYCAIOAVAISPG-WMZOPIPTSA-N 426.525 1.428 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1 1508102842 BBGHGBCLTQKOTP-QGZVFWFLSA-N 445.545 1.120 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1Cc1ccc(C#N)o1 1513370802 JOOFJXKLFOTLHP-HOTGVXAUSA-N 428.449 1.824 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCCC1(C)C 1517328900 BPAKXQWIVOKYOO-QGZVFWFLSA-N 432.550 1.617 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2nc(C(F)(F)F)cs2)CCO1 1521136440 FMZUJLCKBZKTQD-NSHDSACASA-N 441.439 1.653 30 10 IDEE C=CCCn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)nn1 1523670008 HQCCORGEZRALEL-MRXNPFEDSA-N 434.541 1.880 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)NC(C)C 1538977431 WBAVJDLXYXXPSG-LPHOPBHVSA-N 427.571 1.104 30 10 IDEE C#CCCCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539087033 QGJNZLVZPGJJMP-CTNGQTDRSA-N 430.597 1.997 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1539517099 IMRHJJYXXOAAEO-LPHOPBHVSA-N 426.608 1.942 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539626886 GZAWFIYKLAGZQA-AOIWGVFYSA-N 427.509 1.058 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540868313 ABFRHBUCNXKIPM-MRXNPFEDSA-N 444.540 1.474 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1540872961 HXZANMMKIQMNCS-UHFFFAOYSA-N 436.520 1.816 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)nc2OC)C1 1540889310 IZLDYPQTZMSQKC-KRWDZBQOSA-N 425.493 1.920 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)NC)C1 1540889580 PLRNMRJDVZOLQD-INIZCTEOSA-N 444.561 1.767 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N 1543001840 DYOAPDPEYKZGSC-IRXDYDNUSA-N 441.584 1.326 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1547764025 BXPJNWXQCVRSLS-UHFFFAOYSA-N 438.580 1.415 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(Cl)sc3S(N)(=O)=O)C2=O)cc1 1556457261 AIHQUJITVAYBTP-ZDUSSCGKSA-N 438.918 1.451 30 10 IDEE C=C(C)C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OCC 1558130257 DCUYVDZQKRWKPA-IBGZPJMESA-N 437.562 1.315 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1558606206 OYXUUZPPXLUFLR-INIZCTEOSA-N 436.534 1.292 30 10 IDEE CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@@H]1CCC[C@H]1C#N 1560059918 AYDCTNBUOYSHPB-KBXCAEBGSA-N 440.953 1.923 30 10 IDEE N#Cc1cn(CC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c(=O)nc1O 1565656441 BNWMBBCJUPXQRC-UHFFFAOYSA-N 444.854 1.929 30 10 IDEE CCOc1ccc(C(=O)N2CCC(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1583937650 NGEREKSCSCXWOO-DQRAZIAOSA-N 440.500 1.723 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1587989124 HILJIUAPUBCFFR-GOSISDBHSA-N 449.602 1.614 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1588045082 GRKOBCQYPUVCME-CQSZACIVSA-N 445.936 1.402 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H](C)C2)CC1 1588864555 FWHBLKQMNGCTQJ-NRFANRHFSA-N 441.624 1.668 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1589037098 UXWCVWVHHSBNFT-GOSISDBHSA-N 443.529 1.034 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593747331 UPILFXDNRCMHKR-VFNWGFHPSA-N 432.525 1.189 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1593799978 HWABBMIUFVIBOA-CQSZACIVSA-N 444.931 1.322 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595602780 QYKHRXMGPPLWTN-ZMSDIMECSA-N 439.582 1.122 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)(C)C)CC1 1595608794 XRJJFDRFYQNDEF-HKUYNNGSSA-N 434.585 1.615 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)C(C)(C)C)C1 1595715563 YGYSRSXPRYDIOC-OAHLLOKOSA-N 444.536 1.949 30 10 IDEE C=CCSCCn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1595884927 XCVLJUGWSCSGMS-INIZCTEOSA-N 429.612 1.391 30 10 IDEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1613605842 FJXKOOGYUFYPCW-HOTGVXAUSA-N 441.540 1.218 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)CC1 1619546882 GPPGSISSDUDEBZ-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 1624727622 JNVXYOPBOVOGHE-HXUWFJFHSA-N 435.484 1.639 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CN3CCOCC3)CC2)s1 1625801546 AUZMIMYSKHNIRQ-UHFFFAOYSA-N 427.592 1.326 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 1628680417 HYCWQRNTBTVLOO-UHFFFAOYSA-N 426.560 1.879 30 10 IDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C)NC2=O)c1 1631562554 AXLQTSGQEVLOND-GOSISDBHSA-N 448.932 1.796 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)C1=O 1634109654 JGEPCYJWVLJXGL-KRWDZBQOSA-N 442.520 1.655 30 10 IDEE CC[C@@H](Sc1nc(CC(=O)N2CCN(c3cnccc3C#N)CC2)cs1)C(N)=O 1636777851 LSHBWQNRILZTOY-MRXNPFEDSA-N 430.559 1.657 30 10 IDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1639646204 MRTAKFJZNJHPHG-UHFFFAOYSA-N 443.319 1.835 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC([C@H]4COC(=O)N4)CC3)C2=O)cc1 1653002905 RTOQCFKMQOWXLW-IAGOWNOFSA-N 425.445 1.110 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 1662385882 SAGBBWAOCCMADR-UHFFFAOYSA-N 448.770 1.548 30 10 IDEE CCOC(=O)c1c(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n[nH]c1C 1664167429 CRUXKOJSMNTURP-UHFFFAOYSA-N 431.518 1.709 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(C(=O)OCC)C[C@H]2CO)cc1 1667321770 FRYCAECMWJJUJQ-YOEHRIQHSA-N 440.522 1.064 30 10 IDEE C#C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)c1ccccc1 1678669318 KWEGMRVXUXXTAB-FQEVSTJZSA-N 426.542 1.796 30 10 IDEE C#CCN(C(=O)N[C@H](CC)CNS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1686514751 LVBSXRNZDOMLRU-OAHLLOKOSA-N 430.571 1.359 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)C(C)(C)C 1689840163 TXSNRQOSBDPTSU-INCQDFKNSA-N 426.550 1.926 30 10 IDEE C#CCCCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1689941932 YAUJXHDSWXCILH-NFBKMPQASA-N 431.581 1.892 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689984824 VZPDOISGSMCRHB-PGRDOPGGSA-N 446.573 1.987 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1689998354 KCRQVDHPUQWXDN-HZPDHXFCSA-N 435.937 1.853 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1690108343 VIOZFTJGETYBAF-MXBUBSDBSA-N 448.564 1.816 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cc(C)nn2C)n1 1690109365 PAKQYMNFVIKEPH-SFHVURJKSA-N 438.536 1.355 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)N(C)C)CC1 1690141794 CFKNENJVYYHJGX-UHFFFAOYSA-N 447.543 1.491 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H]1CO 1690189256 WOJBVAPSHPVHIE-AUSIDOKSSA-N 428.581 1.743 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690243203 IHLIUTYITJKVRM-WMZOPIPTSA-N 447.565 1.188 30 10 IDEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1692747361 BZHATSBATWKYJH-HOCLYGCPSA-N 430.513 1.568 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1694739303 NYLQMLKUNXCNJN-UHFFFAOYSA-N 438.580 1.669 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CC1 1697617620 DNBINRTXTWYYAR-FOGNVHKLSA-N 431.518 1.506 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)CC1 1697714634 CLAFXLYDFRATCO-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1705564155 ATTVXZJMEOANLD-QGZVFWFLSA-N 435.550 1.405 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1705565519 VMIGNJWXRPARGZ-SJORKVTESA-N 427.530 1.159 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705568574 QHMCPIQBWHAEQU-SFHVURJKSA-N 446.573 1.687 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1705583117 QIMIZBFHMJVJHK-LJQANCHMSA-N 441.557 1.875 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705652039 OHKOSKRTBQPLGD-FQEVSTJZSA-N 431.566 1.268 30 10 IDEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1705658487 QYADRAMFYVWBEZ-UHFFFAOYSA-N 432.575 1.778 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705829839 DDMSQFCEVWFKLT-IAGOWNOFSA-N 444.540 1.644 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705905653 CECRKTBTHVMMQB-PMACEKPBSA-N 439.564 1.113 30 10 IDEE CC(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1706634922 BPXIAMZKPUMCQF-IBGZPJMESA-N 437.548 1.895 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1706743469 BHQOESYJBIPSOO-GFCCVEGCSA-N 428.888 1.172 30 10 IDEE Cc1coc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1707716611 QBKZFNHQMQJGIN-SUMWQHHRSA-N 436.538 1.465 30 10 IDEE CC/C=C/Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709380613 KIOVEPMIJLZXHY-LAQIPUCWSA-N 435.536 1.857 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710981071 CSUAWNGUWOURLL-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1711401826 ZSZDMYFPKSLOTH-QGZVFWFLSA-N 441.511 1.646 30 10 IDEE COCCN(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712419189 SNYIZJHHQPPJDQ-UHFFFAOYSA-N 436.520 1.776 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1712615857 QEDIRYCVLOPFAR-LJQANCHMSA-N 426.521 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOCC1(C)C 1722282199 MJXLNMWQTQEHPC-KRWDZBQOSA-N 435.536 1.490 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOC1=O 1722295176 UNEQPTNXMQIJFP-OAHLLOKOSA-N 445.549 1.538 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1722343861 FIRZKHSRAVFKGX-HNNXBMFYSA-N 432.550 1.722 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N1CCOCC1 1722356993 OVXUCLDESANVAQ-KRWDZBQOSA-N 428.562 1.605 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722365791 FJZWHQNHNHDYER-WFXMLNOXSA-N 436.578 1.962 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722371885 ZLJYZCIDKALBMP-YOEHRIQHSA-N 435.550 1.850 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CC2(N3CCSCC3)CCCC2)CC1 1722442563 ZFAJOKHRFAJLIY-UHFFFAOYSA-N 432.638 1.931 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722726404 DZDWTBCENVMCMF-GOSISDBHSA-N 434.566 1.941 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1OC 1740591960 ROSPLCXISGKFFM-SFHVURJKSA-N 432.546 1.601 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1740619761 REWVHDAHDFIQPC-OAHLLOKOSA-N 444.517 1.661 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1740638109 JOMHNRSPBCMSHV-AZUAARDMSA-N 443.548 1.695 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cc[nH]n1 1740681292 GCBQZAIKXHIUST-UHFFFAOYSA-N 428.884 1.233 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740686059 OBCWTKPTDCVPCG-RYLXDESZSA-N 436.578 1.207 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740717822 AXQLUMWXMOZEIW-WBVHZDCISA-N 431.566 1.723 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)COC)CC1 1740756072 FMTLABXFPIHOHF-FXAWDEMLSA-N 428.537 1.560 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1740758325 WLNIRVQSTPDETH-QKLQHJQFSA-N 430.553 1.692 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1740966804 XNMXWNRJVBBUCK-VAMGGRTRSA-N 445.612 1.427 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1741802071 FKTLLAPIIYVPQF-HZPDHXFCSA-N 440.570 1.166 30 10 IDEE CCCNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1745787308 GMJVMYUODKZGKI-IBGZPJMESA-N 433.513 1.628 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1746362143 DNXRFCDUJVKIOZ-UHFFFAOYSA-N 428.522 1.347 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC)C1 1747433027 JTNJYSOBXWANFR-GOSISDBHSA-N 432.550 1.761 30 10 IDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 1748008512 FWNGTICYSNYTJX-MRXNPFEDSA-N 432.554 1.090 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748811464 HLFXMQGZMLJEGR-DLBZAZTESA-N 444.561 1.272 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1749026550 MFSGZMXBGQWLIW-UHFFFAOYSA-N 434.543 1.318 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749209022 JPQIMXMLOCQOHV-HSZRJFAPSA-N 446.596 1.639 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCCCO2)CC1 1749303278 HCOZBMNGWYHQQW-MSOLQXFVSA-N 439.582 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1749730341 AKKPLVUROIMDRY-INIZCTEOSA-N 444.565 1.397 30 10 IDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749751639 CEHHYVBIWBJERE-FQEVSTJZSA-N 439.564 1.842 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCO)CC2)c(F)c1 1750384230 RLCDQMMGWDUGMI-GOSISDBHSA-N 441.511 1.729 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CC1 1750389611 DVZMKHHWCAPGOI-HNNXBMFYSA-N 437.957 1.860 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1750949786 ZGPGTJOTJDYDFD-ZHRRBRCNSA-N 439.495 1.911 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760184673 KQRXVSWYKHPQAH-YLJYHZDGSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1760187037 SUJLVNXEYAAXGX-UXHICEINSA-N 446.573 1.465 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760205898 MHUOQWOYTOAAPM-KNKQGSTJSA-N 431.606 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1760224102 XRPDXPRHVIZPTB-UHFFFAOYSA-N 444.417 1.870 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)C(C)(C)C 1760246123 SIATVEFJGVMLGH-UHFFFAOYSA-N 427.505 1.922 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)N(C)C 1760249347 ZHYWPESEZLRORE-ZWKOTPCHSA-N 446.502 1.896 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1760250244 HEXAFNZDWRNHFJ-UHFFFAOYSA-N 447.486 1.515 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(=O)NCC)cc2)CC1 1760257758 ILVAWUMPAMNPDG-UHFFFAOYSA-N 431.544 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ncn(C)n2)CC1 1760270788 ZXTAGANXDFVZCN-UHFFFAOYSA-N 432.532 1.320 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760383784 YUHKMTRIEBONFS-HXUWFJFHSA-N 440.566 1.026 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1760421055 CCYRHVFKPSFBMR-UHFFFAOYSA-N 427.509 1.577 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760450165 FKQIZHWCKLRFKR-SFHVURJKSA-N 440.552 1.615 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1F 1760515889 HONOMVOBVZCBOB-UONOGXRCSA-N 438.529 1.527 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NC(C)C)C1 1760550178 UCYJNVRJNZFWDS-OAHLLOKOSA-N 432.550 1.576 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1760835109 FWMYIFLFCGDAJO-HXUWFJFHSA-N 440.548 1.957 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C)CCC1 1761235868 NXPSGZFCAXOMTJ-INIZCTEOSA-N 437.552 1.983 30 10 IDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1763109910 KFNMMUUYPWKJLV-IAGOWNOFSA-N 441.502 1.670 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1764187008 BCNRGWNWKNUXGO-KRWDZBQOSA-N 426.525 1.435 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1767062985 BCIJHDFRIJWFJZ-WOJBJXKFSA-N 437.548 1.642 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1769124857 FOJFMFUWHFIXLM-MOPGFXCFSA-N 447.561 1.739 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1769246017 BDPVLJZSRXCCAI-LJQANCHMSA-N 448.531 1.903 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1769994431 JUXGBBGLFTURQR-IIDMSEBBSA-N 429.518 1.269 30 10 IDEE N#C[C@@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)F)CCO1 1770746986 KFUWJQKIJHJMKM-MRXNPFEDSA-N 430.459 1.858 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CNC(=O)c2c(F)cccc2F)CC1 1851162155 GWPGFKGJPUGJCN-UHFFFAOYSA-N 429.427 1.327 30 10 IDEE N#Cc1cc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccn1 1851167993 OVYCYWOQGOCEJM-UHFFFAOYSA-N 434.905 1.770 30 10 IDEE N#Cc1cc2c(cc1CC(=O)Nc1nc(N3CCN(c4ccccc4)CC3)n[nH]1)OCO2 1851550905 YOJGGWSJFDJTOM-UHFFFAOYSA-N 431.456 1.913 30 10 IDEE CC(C)[C@@H](C(=O)N(C(=S)N=CN(C)C)c1ccc(F)cc1)N1CCS(=O)(=O)CC1 1852059848 LNDPVNZYGPYJPU-KRWDZBQOSA-N 442.582 1.789 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)COc3ccc(I)cc3)CC2)n1 1852260071 NNOIGPRHKGBWSW-UHFFFAOYSA-N 449.252 1.680 30 10 IDEE CC(C)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855723653 OJCAJQQSXPTOLZ-WMZOPIPTSA-N 432.546 1.569 30 10 IDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)CCCS(=O)(=O)Cc3ccccc3)C2)CC1 1855870910 YAUFIGDOFVGQAP-HXUWFJFHSA-N 431.558 1.992 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)cc1 1857223106 BCXQBIOWEFBXCN-QZTJIDSGSA-N 429.542 1.770 30 10 IDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)CCS(=O)(=O)c1cccc(Cl)c1 1866887778 WVZUARKZOLUWHA-KRWDZBQOSA-N 435.889 1.491 30 10 IDEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870385029 DTMCQXCGHBCNFA-UHFFFAOYSA-N 448.564 1.410 30 10 IDEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870387202 UUUXXYKGENPZTB-UHFFFAOYSA-N 440.544 1.880 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2c(C(=O)O)[nH]c3cc(OC)ccc23)c1=O 1873495152 NCLAUCZDADQZDR-UFWORHAWSA-N 431.430 1.103 30 10 IDEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)c1OC 1891398293 KOSYKVTTWROSRY-UHFFFAOYSA-N 446.485 1.301 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCC(CN(C)c3nccnc3OC)CC2)cs1 1891409632 NRHQEKZTGWZKSJ-UHFFFAOYSA-N 430.534 1.846 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1963877289 ONSXMZPHEHIYID-GJZGRUSLSA-N 425.526 1.780 30 10 IDEE C#CCN(CC(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985004575 LRPDIAZYKHWBDT-HZPDHXFCSA-N 425.526 1.591 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](CO)C1 2254789753 DVMMOBIZAWAHIS-AWEZNQCLSA-N 437.321 1.938 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)co2)OC1(C)C 2255534155 CSDHYACKNZKHIV-LJQANCHMSA-N 425.338 1.783 30 10 IDEE Cc1c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255822904 QOUPGZIIHSEXQH-ZDUSSCGKSA-N 436.318 1.308 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2267495333 LEALVLBBIKXOBQ-NUEKZKHPSA-N 448.325 1.943 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)CCN2C1=O 2267501869 DVTJHWYSNDKBJW-HUUCEWRRSA-N 449.357 1.949 30 10 IDEE COC(=O)c1ccc([C@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)cc1 2296615730 KYKLMFORRXQFJA-IBGZPJMESA-N 440.500 1.807 30 10 IDEE CO[C@@H]1C(=O)N(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1c1ccncc1 2297646190 DUIJISXHLNBVNV-PMACEKPBSA-N 426.498 1.705 30 10 IDEE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C#CB1OC(C)(C)C(C)(C)O1 2320263122 JSFZUDBDWALCJQ-OAHLLOKOSA-N 435.330 1.205 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)CC1 2337199455 VSXDLCSHMXBOCS-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE CCCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 14036738 JCWVLCKEJJQJNH-UHFFFAOYSA-N 435.531 1.564 30 10 IDEE C=CCOC[C@@H](O)CN(CCOC)Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1 36207184 DQRILHVRCNYJEM-AWEZNQCLSA-N 439.534 1.482 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N(C)C 105288729 XXOPSYBWWGFBQR-UHFFFAOYSA-N 429.502 1.175 30 10 IDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 409586238 QAPKWBQUVXKBOK-HNNXBMFYSA-N 428.942 1.589 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H]1c1cncn1C 474418036 WIWATZFQPOHZJV-WIYYLYMNSA-N 435.532 1.725 30 10 IDEE COc1cccc(-c2nc(=NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)s[nH]2)c1 482175324 FYSDMMGQSPWHGF-LBPRGKRZSA-N 443.510 1.813 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)Cn3c(O)nc4ccccc4c3=O)CC2)c1 501704791 YWKZCXBORQGNCA-UHFFFAOYSA-N 431.452 1.851 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1)c1ccccc1 503643939 RINYJCIPHQTYHO-KRWDZBQOSA-N 440.525 1.924 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCc1ccccc1 508491825 HWWWPIKQHLZWPY-GOSISDBHSA-N 435.550 1.450 30 10 IDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508908024 QTGAFKSFMQTXSO-UHFFFAOYSA-N 441.492 1.020 30 10 IDEE CN1C(=O)C[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@@H]1c1cccnc1 510384678 NZMUAPJLQNAXJV-GCJKJVERSA-N 443.511 1.990 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 514916491 VCHNDGBABYOGKA-SFHVURJKSA-N 425.554 1.673 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 536164522 BXFNCDVYNMCVLY-UHFFFAOYSA-N 433.310 1.090 30 10 IDEE CCc1nn(C)c(OC)c1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540071750 RASGCWAKHCDIHH-UHFFFAOYSA-N 446.533 1.079 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)n1 546905804 GHIFPVXRADOFRM-UHFFFAOYSA-N 439.541 1.675 30 10 IDEE N#Cc1ccnc(C(=O)NCCN(CCN2CCCCCC2)C(=O)c2cc(C#N)ccn2)c1 552035108 IVQCHHHQRSCOBT-UHFFFAOYSA-N 445.527 1.968 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CC(N)=O 589158791 TVPIQTOECZYEDR-UHFFFAOYSA-N 433.489 1.527 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1F 669652044 AMKFOYFMMFXJNL-UHFFFAOYSA-N 443.500 1.018 30 10 IDEE CC[C@@H](C#N)N1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 703984645 PHAFJORRNQLHMO-INIZCTEOSA-N 432.546 1.558 30 10 IDEE C#CCNC(=O)c1cc(I)cc(I)c1O 704330253 LNWPDVFRFSMZLP-UHFFFAOYSA-N 426.979 1.964 30 10 IDEE C#CCN(C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[C@@H]1CCS(=O)(=O)C1 729334372 NIYDESICBBECMN-CQSZACIVSA-N 437.568 1.577 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729671023 AZKITQVGIVXDSE-UHFFFAOYSA-N 445.479 1.467 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 730139049 PKHUVDWVSBJNCI-RHSMWYFYSA-N 449.577 1.219 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccco2)C1=O 730143750 DNCYWRVXTFVYQY-GOTYSUTNSA-N 429.546 1.785 30 10 IDEE O=C(/C=C/c1ccc(I)o1)NCCN/C(O)=C1\N=CC=CC1=O 732152406 AQJAAZXYGCXJEQ-PCXQUWJNSA-N 427.198 1.540 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 732157081 VEZOJTNMFOTKRY-HZSHHLKBSA-N 428.464 1.249 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 732410558 LCMNUNZTTSEZMX-BQYQJAHWSA-N 430.424 1.694 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1=O 742171597 PMIYOFVQAVDMRG-QUCCMNQESA-N 426.517 1.580 30 10 IDEE C#CCN1CCN(C(=O)CN(CC)C2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 748822131 XODNSPRQYLROGC-UHFFFAOYSA-N 426.609 1.977 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 756920436 OEKXIIUFJHOVAZ-QZTJIDSGSA-N 444.532 1.937 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 760572796 RBEJFMPMZCKUAD-QGZVFWFLSA-N 438.575 1.222 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(C[C@@H]3CCCO3)c2=O)c1 763436633 WEJFIBKYGCJFTG-INIZCTEOSA-N 437.496 1.952 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCc2nnnn2C)C1=O 771542956 LQWVUAHLDXPGBF-CYBMUJFWSA-N 432.897 1.045 30 10 IDEE C[C@H](/N=C1\S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C)c1cccs1 771543768 MWKLSLRLNUVGCJ-JJPXVGIXSA-N 433.563 1.544 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1 779314213 XUSYDPBIJIGNSX-UHFFFAOYSA-N 439.559 1.617 30 10 IDEE Cn1ccnc1[C@](O)(CCNC(=O)C(=O)NCc1ccc(C#N)cc1F)C(F)(F)F 787075013 WIMKZNJMGQGLTQ-QGZVFWFLSA-N 427.358 1.003 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 794646140 VCOCRJSNKSJGON-KRWDZBQOSA-N 444.516 1.227 30 10 IDEE C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 803698626 CUPMRYJKOGRXRH-MRXNPFEDSA-N 432.498 1.241 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(C(=O)CC#N)CC3)cn2)C1 807922589 UQYMNFCZELZFTM-QGZVFWFLSA-N 430.509 1.653 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1ccc(F)cc1 812750351 SRSVCFLUPXEYID-OAQYLSRUSA-N 443.500 1.783 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(Cl)ccc3O)n2)o1 1084072068 IDSRGRHOUWZBST-UHFFFAOYSA-N 436.885 1.964 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1OC 1084202850 AWYXJRYJKPRKDI-UHFFFAOYSA-N 428.478 1.581 30 10 IDEE C#CC[C@@]1(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCN1C(=O)OC(C)(C)C 1126122806 OPZSTLSIOLGADH-QFIPXVFZSA-N 445.520 1.473 30 10 IDEE O=C(C#CC1CC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1137710653 OJXUIYRTBRESNJ-QGZVFWFLSA-N 433.530 1.650 30 10 IDEE N#CC1(CC(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CCOCC1 1149220434 YLNDKPXLSNWKND-UHFFFAOYSA-N 439.560 1.779 30 10 IDEE CO[C@]1(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCSC1 1156138407 LRNPDIKTMGWDOL-BEFAXECRSA-N 425.576 1.778 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 1195877193 SVVUTRNRUPISEF-CQSZACIVSA-N 432.473 1.864 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)cc1 1264645407 QHGSDDJRPWIPMT-HOEZRSETSA-N 432.506 1.380 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)Cc1ccccc1 1286358851 QXTLIHWODSONCM-UHFFFAOYSA-N 429.546 1.589 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1286377115 SEZIBJAIFMTQGH-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1286386888 IZVJGBHUMRCIBS-KRWDZBQOSA-N 442.570 1.974 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cncn2)CC1 1286473752 WJNCHOMKPVAEQT-UHFFFAOYSA-N 444.341 1.093 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN2CCC)CC1 1286490304 JYWVOFNRKNFSJS-IBGZPJMESA-N 436.564 1.575 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCCOC)CC1 1286592264 UZQTWRFVXPZZMA-UHFFFAOYSA-N 444.536 1.951 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286612544 VOYUFAIXUMWLQU-UXHICEINSA-N 446.596 1.508 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1286754046 LOLLKJUALULYLQ-CVEARBPZSA-N 433.534 1.907 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286819954 AUACHQWZKJHAMN-BRWVUGGUSA-N 437.566 1.020 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286824699 GSHOHASWGIHAQI-LPHOPBHVSA-N 428.555 1.146 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1286904047 PXEBAAGYZMCABH-UHFFFAOYSA-N 439.520 1.797 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1)S(C)(=O)=O 1286977322 HUDXFJXQVHBGJJ-CVEARBPZSA-N 442.549 1.756 30 10 IDEE CC(C)OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1288382721 AVBAAKNBNGBXPY-FUHWJXTLSA-N 436.582 1.172 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H](COC(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1291666718 BXUTYBODQZVGJZ-XZHYIPMRSA-N 446.552 1.948 30 10 IDEE C#CC[C@@]1(C(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)CCCN1C(=O)OC(C)(C)C 1295120466 ZJCAYMRFTISZQK-UTKZUKDTSA-N 435.525 1.469 30 10 IDEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1298036443 ABVBYMSHLHBWLS-HOTGVXAUSA-N 429.550 1.494 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1300602668 SQERHUVRCACGGJ-KRWDZBQOSA-N 441.561 1.776 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCOCC2)c1 1300635358 KMLRKTZCPSRTCY-UHFFFAOYSA-N 438.532 1.861 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1300665063 XCAAUYJRNIUNIX-FQEVSTJZSA-N 449.559 1.618 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1300673693 VRHIKAIRAMNLHT-UHFFFAOYSA-N 443.458 1.444 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300754727 GFIALGUPHVDNFE-IBGZPJMESA-N 440.573 1.843 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)on1 1300875272 OQFVYCCZBJIQAN-INMHGKMJSA-N 438.554 1.802 30 10 IDEE CC(=O)Nc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1301777959 GJCFGZDCXQNZOW-SFHVURJKSA-N 446.471 1.661 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1303686308 PJFZOBPGHQXACG-HZPDHXFCSA-N 425.526 1.764 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)N(C)C 1305000758 KOWGGTLOFUAPMO-UONOGXRCSA-N 440.932 1.421 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1313989434 AGJGKFMTOMQVCX-UHFFFAOYSA-N 437.548 1.380 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315096016 GYRKKJJMAHRHIH-UHHPSXQGSA-N 428.493 1.461 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1315329273 INEARVTVCIGGKN-INIZCTEOSA-N 434.928 1.914 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316345845 VRDOLCOKKGNTNU-SFHVURJKSA-N 443.577 1.732 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)NC(=O)NC1=O 1318203309 QRYURIVTTWFRMG-QFIPXVFZSA-N 433.472 1.040 30 10 IDEE C[C@@H](CC(=O)Nc1ncn(Cc2cccnc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 1319120934 HTPBBXSLIGIVLW-ZDUSSCGKSA-N 425.474 1.177 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@](C)=O)CC1 1359026217 ORGRMWOXZGCHFB-PMERELPUSA-N 426.546 1.514 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)CC(F)(F)F)CC1 1359031069 OUSIVGIFRLUJTO-LJQANCHMSA-N 444.502 1.180 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1 1359090194 WNXNSTXDTYBXGH-OALUTQOASA-N 432.569 1.264 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359101197 LWBCLXJCSKQOQD-HQRMLTQVSA-N 431.562 1.868 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359294865 HRUWUNAYOHZIPJ-UHFFFAOYSA-N 432.488 1.742 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCS[C@H](C)[C@H]1C 1359334958 VWGLHXSYWOOAAE-HUUCEWRRSA-N 427.596 1.332 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC4(CCNC(=O)O4)CC3)CC2)cc1 1439768212 CKQYWVXURXFZRF-UHFFFAOYSA-N 446.529 1.450 30 10 IDEE CCS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)s1 1448968519 HSDLJCQZDZIXBE-UHFFFAOYSA-N 430.504 1.908 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1456388991 FMSKKHZNASBQJS-UHFFFAOYSA-N 448.277 1.394 30 10 IDEE C#CCN(C(=O)NCc1cn(C2CC2)c(=O)nc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1471199700 MXQKZGZCGBHDBY-UHFFFAOYSA-N 445.520 1.828 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1471629037 DDQPZYGQOXGUSB-XMMPIXPASA-N 447.583 1.936 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)c(Br)cc2F)CC1 1476690115 SYIDJWKJRHRVCQ-UHFFFAOYSA-N 433.303 1.514 30 10 IDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493231825 GKQSYADXINJIJY-JVXKUHPTSA-N 427.509 1.238 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507637910 NLAIEVVYKMBJEI-CBGDNZLLSA-N 436.578 1.698 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507724380 OFMJYDHNFIACQF-OAQYLSRUSA-N 436.608 1.045 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507755587 BHDBUFPYJMHPQM-JOCHJYFZSA-N 441.557 1.949 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507971638 PGZYMZWMHWINFW-DLBZAZTESA-N 436.582 1.341 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C1 1519577729 DBOWZMXHZIWFNJ-GOSISDBHSA-N 446.577 1.745 30 10 IDEE C#CCN(c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1520305504 NFEWKOHRYHIPPC-MRXNPFEDSA-N 434.543 1.161 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539132320 IFEJFVGKHFHAOH-KRWDZBQOSA-N 436.524 1.085 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539377536 SDNBAWHGAPFIHF-MSOLQXFVSA-N 448.593 1.064 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539441471 PPQSEBHFCPTYNL-LJQANCHMSA-N 428.562 1.124 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)CCC(C)C)CC1 1539481591 MMVDSZBEGGVDJK-WMZHIEFXSA-N 431.581 1.935 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1540624348 XYCWPKSAMMRKAN-CQSZACIVSA-N 448.545 1.947 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1540873930 OZDFTENQSBZTEV-UHFFFAOYSA-N 437.548 1.338 30 10 IDEE CC[C@@H]1CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1546677905 KYRFIKGNPQXEAE-MVZUJROASA-N 427.509 1.306 30 10 IDEE CN(Cc1ccco1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554179363 AMZAWURFLGAJQX-LZICOFPGSA-N 426.477 1.928 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1555474790 UJGMWNQFBMAQDH-KRWDZBQOSA-N 426.477 1.796 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1555555393 BNXWDPFGXDIPDJ-UHFFFAOYSA-N 428.518 1.760 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1555664676 SHMXWKJAZXDTPD-SJLPKXTDSA-N 447.584 1.341 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1555713653 GDSBFPOKYCOILB-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CCC#N)CC1CC1 1555810421 FJKZIAFWMYSYQB-MRXNPFEDSA-N 430.538 1.289 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C 1556155038 COCBHQQCSHXWRT-WBVHZDCISA-N 439.553 1.988 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F 1556317937 RWYSIFXANZKWBA-RBSFLKMASA-N 439.484 1.562 30 10 IDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1557718780 JGUCCONGKDFPTM-UHFFFAOYSA-N 427.486 1.825 30 10 IDEE COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)c(OC)c1 1557822181 BTGCHQNZVHAOQN-UHFFFAOYSA-N 443.525 1.839 30 10 IDEE C=CCCC[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC 1558380100 AZGNMCYOIVHNLL-IBGZPJMESA-N 437.562 1.315 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn3ncc(C(=O)OCC)c3c2)c1 1558553435 YQNDBVPGNXTYDC-UHFFFAOYSA-N 426.454 1.675 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)Cn2nc(-c3ccccc3)oc2=O)c(=O)c1C#N 1558973079 BHMHOQRHUOBOPH-UHFFFAOYSA-N 444.245 1.686 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)cc1Br 1561149741 GJJQRMPHACRKFQ-UHFFFAOYSA-N 431.287 1.638 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC1 1561869371 RIBFAKGLNZOLSJ-UHFFFAOYSA-N 449.554 1.040 30 10 IDEE N#CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1564981598 SYYHTCKCLQUDCE-UHFFFAOYSA-N 443.485 1.877 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1567168519 CMFCZUVGGQDICB-AWEZNQCLSA-N 428.367 1.562 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1 1570635363 NCOCIXNAGRPLNZ-LJQANCHMSA-N 440.525 1.657 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1587067976 FCOFVSKEVNICGL-CQSZACIVSA-N 434.497 1.473 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588053545 FNEZSMBZSMWGLR-IRXDYDNUSA-N 433.578 1.826 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1588733083 MICJCPBWHCXOAG-JOCHJYFZSA-N 428.537 1.289 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCCCO2)CC1 1588885387 WIFGOUUQZWARPZ-LJQANCHMSA-N 442.564 1.439 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC(N)=O 1589569609 POAYGONAORJNRR-CLCXKQKWSA-N 446.577 1.951 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)C1 1595743725 FDVRNLHEKFKAJE-IAGOWNOFSA-N 447.561 1.856 30 10 IDEE CC(C)(C)c1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)on1 1597174580 CLSNSBVPPMLQEV-DJJJIMSYSA-N 436.513 1.956 30 10 IDEE C[C@@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 1612988915 AJQVMHNEWTVFQK-QZTJIDSGSA-N 437.548 1.642 30 10 IDEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1613406401 LCTXUZYHJMQPHJ-NSISKUIASA-N 440.548 1.907 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@H]1C 1619938570 AUMHUNAPIPMJED-XLIONFOSSA-N 426.521 1.389 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)O 1620019158 KSSRBFFJOLUTIZ-INIZCTEOSA-N 429.525 1.366 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)[C@@H](C#N)C1 1621714762 CHTYNAYNCHUMHP-GJZGRUSLSA-N 435.502 1.583 30 10 IDEE C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@@H]2CCN(O)C2=O)C[C@@H](C)O1 1628370034 IRNHPRDTHZBUQH-XJKCOSOUSA-N 431.518 1.442 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 1636479760 GMVYTDSFPDKHIJ-INIZCTEOSA-N 426.336 1.091 30 10 IDEE N#Cc1cn(CCNC(=O)CNC(=O)c2sc3ccccc3c2Cl)c(=O)nc1O 1646147463 IEDNLLKPWYAONX-UHFFFAOYSA-N 431.861 1.235 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 1647791468 IWYLZAMILHQLPJ-KRWDZBQOSA-N 426.498 1.308 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(Cl)c(Br)c2)CC1 1676115321 CIVGOEIGTVVWBD-UHFFFAOYSA-N 436.719 1.115 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cs1 1684863194 JMNRFWUPDQABJR-QGZVFWFLSA-N 431.543 1.507 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1685264834 SDELNALEFROJEC-FQEVSTJZSA-N 432.590 1.924 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)NCC2(C#N)CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 1685656779 CMTAANVVWAFRLH-HNNXBMFYSA-N 436.509 1.358 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1689831199 HAFYAZWNTVNGJR-IERDGZPVSA-N 447.561 1.278 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1689910373 FIXXUPUPUBUODB-UHFFFAOYSA-N 429.569 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2OC)CC1 1690113697 QXLNXKKGJIYIBC-QHCPKHFHSA-N 425.533 1.742 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NC(C)C)CC1 1690115251 YPQLFLGMBDBLPA-UHFFFAOYSA-N 426.521 1.242 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc2c(c1)OCCO2 1690622189 JWZXJPMWRRZTQZ-KRWDZBQOSA-N 427.505 1.882 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2cnn(C)c2)CC1 1690678488 YAWMRUOBTMANIL-PXNSSMCTSA-N 443.552 1.422 30 10 IDEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1691268887 GARNZKLURUUTRM-OAHLLOKOSA-N 438.554 1.445 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1692522689 INNLVTDSMOSLJY-QVKFZJNVSA-N 445.474 1.342 30 10 IDEE CC1(C)C[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1692856378 BLSUVONHYANUMZ-SJORKVTESA-N 436.582 1.787 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1694223967 VSXRXIIBEDUSLH-KBXCAEBGSA-N 439.520 1.969 30 10 IDEE CCOCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1696390795 AAEZZTWGSJBRFV-LJQANCHMSA-N 438.532 1.975 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1696999399 DWTPOJXDRMQIKD-UHFFFAOYSA-N 449.540 1.977 30 10 IDEE COC[C@@H](F)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1697789310 WJMBCIXILIKLTO-CAOSSQGBSA-N 438.504 1.762 30 10 IDEE COCCN(C)CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1698032505 APIRBJUJXXBVPJ-QGZVFWFLSA-N 441.584 1.531 30 10 IDEE COCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698196579 AGXXGKUWIDPGSZ-DVEDPGPFSA-N 432.525 1.344 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1705533740 ZLMYBOYHOMOXPU-NHCUHLMSSA-N 439.560 1.757 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1705561721 SSLNDSWOOPPSJX-KNQAVFIVSA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705569987 LODKUBUPHPCOLZ-ZWKOTPCHSA-N 447.586 1.606 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(Br)c2)n1Cc1nnn(C)n1 1705590665 SIYQSOPNPOMACO-UHFFFAOYSA-N 425.294 1.742 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1705629131 YAULYNFRYFMQGI-INIZCTEOSA-N 436.509 1.462 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705902388 DBJWCMQEGPDGAM-MSOLQXFVSA-N 428.541 1.209 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1705922717 RGDCPZSUERTIKO-ARFHVFGLSA-N 442.486 1.895 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(N)=O)c2)C1 1705927809 GURIASZMHINUJN-ZCNNSNEGSA-N 441.532 1.931 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)nc2)C1 1705929551 SQLYTWFUAGURSV-GOSISDBHSA-N 425.537 1.691 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2CCOC[C@H]2C1 1705937236 NHCKFDMXULOTDC-QGZVFWFLSA-N 437.591 1.052 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1708233967 FFGVVRLNKZNUNT-GOSISDBHSA-N 426.521 1.676 30 10 IDEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@](F)(C#N)C2)n1 1711268518 SPDKYTJDYGWSCG-MRXNPFEDSA-N 434.277 1.665 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)CC1 1711371859 DCWLGCXVUBCQGW-IBGZPJMESA-N 426.521 1.831 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1712607513 VPSSOXXALJHDFY-INIZCTEOSA-N 428.493 1.403 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1722340131 NWGGEIWPEORKQD-UHFFFAOYSA-N 427.505 1.574 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722343873 KOVIYIJGNLXPKL-XUZZJYLKSA-N 439.560 1.615 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722361004 DGTNYKKYLFNSQZ-WIYYLYMNSA-N 430.530 1.377 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722373215 KRKAWDCAHMIOQP-LSDHHAIUSA-N 446.602 1.591 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1722395096 PVBCCJVSNNODTE-QHCPKHFHSA-N 427.549 1.796 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)COC)CC1 1722462847 PKACGFXVDXURRM-UHFFFAOYSA-N 428.562 1.362 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722629426 KOHWRIXBJSMHAH-HLIPFELVSA-N 440.566 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722726346 CMSYIXGTDRPMDQ-HUUCEWRRSA-N 432.612 1.794 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1723629731 BLWJABJVOAJYBD-INIZCTEOSA-N 448.535 1.565 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1729541985 HDKXZJXTQDUCSG-OAQYLSRUSA-N 428.562 1.453 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740570167 BORLADVHMAUCOS-OALUTQOASA-N 425.537 1.751 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)c(OC)c1 1740640857 XVYIGXJVDCEBMP-INIZCTEOSA-N 432.933 1.963 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740697759 FXEOTSZAMACMGK-UHFFFAOYSA-N 433.603 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740951548 IHGZVUHBNNONOM-INIZCTEOSA-N 426.521 1.762 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1740960432 RJYQSCGXOSTHOL-FUHWJXTLSA-N 445.545 1.530 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)C1 1740979137 BMLYFJGYGYDNNG-ZWKOTPCHSA-N 434.566 1.557 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1743399413 XVOHVMFTYMVRNX-DRKSLNRHSA-N 445.549 1.086 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743758809 ZXRLGIATXMEJRO-ITZAQCPESA-N 427.509 1.129 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1748891697 DLAGBSJSQVTXPI-GOSISDBHSA-N 445.589 1.482 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](F)COC)CC1 1748971667 YLXRWMZNYDXNMK-SFHVURJKSA-N 428.512 1.887 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cc(C)on2)n1 1748971717 ZQZBHMFGAZCPLW-KRWDZBQOSA-N 425.493 1.609 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2noc(CC)n2)CC1 1748999447 WMVXYRWQRFKHID-UHFFFAOYSA-N 446.515 1.672 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C)n2)CC1 1749009476 RERYUMQMNSUOOM-UHFFFAOYSA-N 432.532 1.591 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(C)=O)CC1 1749049696 OTBXLGXGFNZTSI-OALUTQOASA-N 435.594 1.721 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1749493300 AHROIGQKINVPNX-KRWDZBQOSA-N 426.587 1.109 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(CCC(N)=O)CC1 1749664603 UBKCBQNSYWVJKK-UHFFFAOYSA-N 426.521 1.738 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1749693461 JJTGDPGXRSOWMH-GOSISDBHSA-N 440.548 1.620 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749756244 VJLZIHJPJPIBBE-CABCVRRESA-N 448.636 1.113 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1760155251 UQAVMNKBGADFAW-IAGOWNOFSA-N 430.509 1.729 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760187272 CINPABGBLXXEMG-UWJYYQICSA-N 431.562 1.682 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760189435 PCLKGQXCSOHOIP-DYESRHJHSA-N 431.562 1.826 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc(-c3ccccc3)n2)CC1 1760252695 UQYCLGAJYMNPKF-UHFFFAOYSA-N 433.516 1.875 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSCC(C)C)CC1 1760261594 OBCMPOPPQADWEG-SFHVURJKSA-N 439.651 1.715 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(CC(F)(F)F)CC1 1760520553 RRBSTGIGRQNKCC-UHFFFAOYSA-N 425.459 1.660 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760559615 RDDGOWYHKXOATN-HNNXBMFYSA-N 429.550 1.936 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1761577189 MFIAUUJKUZSGEB-FCHUYYIVSA-N 440.504 1.236 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1762775924 KCTKDQSZIOIAMC-MCYOWCNASA-N 429.525 1.568 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1OC 1765993811 VCFORIYBHVZVEC-JTSKRJEESA-N 443.504 1.887 30 10 IDEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)CC1 1767153136 JNAFFZBXKYAVSV-UHFFFAOYSA-N 425.585 1.836 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1768969524 KNBPJZXFQKNLDR-HNNXBMFYSA-N 425.461 1.722 30 10 IDEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)CC1 1770744095 FLYNUMDEJNDJRV-UHFFFAOYSA-N 430.459 1.746 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC[C@@H]2COCCO2)cc1 1771534718 MCMBVBZKZSQIPV-LJQANCHMSA-N 440.504 1.236 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ncc(C)s2)CC1 1772566362 FXYUTPLJJZLIFV-OAHLLOKOSA-N 429.550 1.680 30 10 IDEE Cc1nc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nn1-c1ccc(F)cc1 1852204212 FQXSTQAFHAXQEJ-UHFFFAOYSA-N 435.463 1.961 30 10 IDEE COc1cccc(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1852522677 BKMNRMWDJQLXQH-IBGZPJMESA-N 449.511 1.680 30 10 IDEE Cc1nn2c(C)c(C(=O)NC[C@H](c3ccc4c(c3)OCO4)N3CCOCC3)cnc2c1C#N 1852993171 JINWVZNKVLAVCK-LJQANCHMSA-N 448.483 1.750 30 10 IDEE Cc1ccc(C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1C#N 1854455422 SQIUBHMXSYMTBV-KRWDZBQOSA-N 429.542 1.899 30 10 IDEE COc1ccc2sc(N3CC(C(=O)N(C)C4CN(c5nccnc5C#N)C4)C3)nc2c1 1891449115 BUOQAOHTFYCHPB-UHFFFAOYSA-N 435.513 1.750 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)NC(=O)OC(C)(C)C 1902005579 INUXDNNZMDZJRH-OAGGEKHMSA-N 425.526 1.637 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060625751 NQXACVXXONSOHR-YJNKXOJESA-N 438.330 1.993 30 10 IDEE CC(C)(C)OC(=O)NO[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2060633696 QJOMSOQHWOAXPU-CQSZACIVSA-N 434.302 1.949 30 10 IDEE Cc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc1C#CCCO 2137595789 BBDRNDNAMUMIGH-UHFFFAOYSA-N 432.523 1.506 30 10 IDEE Cc1cc(C#CCN)c(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s1 2229403127 QNMPAORPKVSPNT-UHFFFAOYSA-N 431.539 1.425 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112821 MDKOZJOKOBAXQJ-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267499890 ACWCVJRQOHSYNB-GASCZTMLSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2267597811 XKOIDLYZQZIKLF-HNNXBMFYSA-N 447.341 1.435 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2272635694 DLEWBVCKEMPPHO-ASSNKEHSSA-N 447.345 1.101 30 10 IDEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccncc1 2296623783 GSRXTMRXRUJFMD-IBGZPJMESA-N 436.468 1.900 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)C(N)=O 2304802160 SQMQLYUWYRMRLL-ZDUSSCGKSA-N 425.266 1.277 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2315527860 AJGGYBYDANDKKR-KBPBESRZSA-N 434.346 1.752 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 2315607625 XKJHIIIGSITVPC-CQSZACIVSA-N 434.346 1.706 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2334270796 RVNAMHCTAVEYEP-MELADBBJSA-N 447.345 1.242 30 10 IDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 219943979 GWNJFRKVFNSQPJ-INIZCTEOSA-N 427.486 1.426 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCCN1CCOCC1 254838505 NCSMGDKOIJDDOO-UHFFFAOYSA-N 440.569 1.145 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431222786 XRSWFYWHHSCYIC-UHFFFAOYSA-N 431.583 1.720 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(I)c(F)cc2F)CC1 435045192 XNHHINKHLYVHRQ-UHFFFAOYSA-N 449.239 1.629 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 443337624 VDTSVXJGHDUSAD-LBXVMSDZSA-N 440.500 1.086 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 445643953 XZHSBLRLOMFYLC-UHFFFAOYSA-N 428.470 1.932 30 10 IDEE C=C(C)Cn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCNC(=O)CC1 460371786 VZUDTYHPIBEKTL-UHFFFAOYSA-N 444.561 1.632 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 478750568 ZKIRNVWAIFYTLF-INIZCTEOSA-N 435.480 1.932 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482192223 KAAXCGCYJMCCET-OAHLLOKOSA-N 446.504 1.722 30 10 IDEE O=C(CN1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 501796557 ZWTQOHDMIIGDJF-UHFFFAOYSA-N 438.450 1.243 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1C[C@@H]1CCCO1 520860958 CLKYZCMQUATBKU-AWEZNQCLSA-N 447.919 1.663 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1C(F)(F)F 563276254 PWIOEJLDHNBLHM-UHFFFAOYSA-N 437.465 1.766 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 608793784 JNYAYIKSEIZDCN-UHFFFAOYSA-N 442.545 1.364 30 10 IDEE COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 751468192 DUFYWHHYCRXRMX-LJQANCHMSA-N 430.505 1.783 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](NC(N)=O)C2)cc1 762947577 NVMCRFKNTJSRMU-ADSWHHSESA-N 436.538 1.554 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CCN1C1CC1 763139011 SXFCLALAXOFEDA-NRFANRHFSA-N 431.496 1.754 30 10 IDEE C[C@H]1CC(=NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)NO1 765380287 ZMVIZLRLEVFAQI-JTQLQIEISA-N 432.296 1.322 30 10 IDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 768760112 DXPWKSCUIMBYLO-FQEVSTJZSA-N 432.502 1.395 30 10 IDEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)c1 772278707 SQHAXZXPZBFEAD-UHFFFAOYSA-N 434.359 1.793 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C#N)CCCCC1 772473851 CYCAFTZUTHIOJZ-UHFFFAOYSA-N 442.582 1.801 30 10 IDEE C#CCOc1ccccc1NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 776099276 YSOYZWOLYPLCEN-UHFFFAOYSA-N 428.514 1.961 30 10 IDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NS(=O)(=O)Cc1ccccc1C#N 780293771 XEYQEECTYRTHQS-UHFFFAOYSA-N 446.510 1.099 30 10 IDEE C[C@H](c1ncn(C)n1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 780310790 SCLYKDZLUFQLFA-ZBFHGGJFSA-N 429.550 1.576 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C#N 789840803 NFXCQGLJXIHQJT-UHFFFAOYSA-N 440.475 1.600 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO2)CCN1C1CC1 802692712 KMBBIARHSFJQLY-DLBZAZTESA-N 441.561 1.625 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 816831109 GTDTZRPDDWMWHV-JOCHJYFZSA-N 445.495 1.577 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@@H](Cc2ccccc2)C(=O)OCC)C1=O 1125954635 AZAFLBMVVZMUAU-KRWDZBQOSA-N 427.457 1.129 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nn2cnc3sc(C)c(C)c3c2=O)s1 1135675031 XRVUNYGVGYATDU-UHFFFAOYSA-N 438.556 1.913 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@H](O)c3cccc(C#N)c3)CC2)CC1 1196276613 VMZPHOJQTXGPRU-FQEVSTJZSA-N 443.548 1.882 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 1221978573 XQTQUHXRBNXQEQ-UHFFFAOYSA-N 434.581 1.697 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1286297390 WFLGATYLBUXYRZ-DOTOQJQBSA-N 445.545 1.077 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1286388701 UQXCFCYOQGPEEM-KRWDZBQOSA-N 429.546 1.344 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286592233 RZNUCLBASMIOMB-UHFFFAOYSA-N 436.538 1.490 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CCOC)C1 1286808404 LFPASYWZLMBCEZ-YCRPNKLZSA-N 433.509 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=CCC1 1286815341 RZDFYQQCVBBGRJ-UHFFFAOYSA-N 436.559 1.716 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 1290270034 QACTYRKDXJQISM-UHFFFAOYSA-N 446.349 1.180 30 10 IDEE CCN1CC[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(CCC#N)CCOC)C1 1296043148 RSPNJTJQKCMZCB-MRXNPFEDSA-N 429.525 1.714 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCN(C)C2)c1 1300336842 OUDITFNYGXPIQC-AUSIDOKSSA-N 438.532 1.252 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC 1300472785 IZHHCZIYKADAHP-UHFFFAOYSA-N 442.339 1.238 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCO[C@H]2C)n1 1300681149 KQZPGQPPCALBCA-LRXVAGHRSA-N 444.536 1.152 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1300681551 TXIRWZURFBUDCA-IBGZPJMESA-N 441.605 1.634 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2oc(CCC)nc2C)CC1 1300682452 MPHCBZMSYVIOEX-UHFFFAOYSA-N 448.531 1.978 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1300731213 DPXKSXBVJRBDPZ-UHFFFAOYSA-N 434.610 1.428 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCNS(C)(=O)=O 1300882962 ZNSRCZHPBHXZEW-LPHOPBHVSA-N 449.577 1.920 30 10 IDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301118940 PICBWJHZJADBMC-UHFFFAOYSA-N 444.521 1.245 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301248741 KOIHOKSVQMWZOO-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 1301484547 IFUOXVDOXNUXKJ-UHFFFAOYSA-N 449.559 1.668 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1C 1301501689 ZRSGRWPMVVTYSY-IRXDYDNUSA-N 431.562 1.988 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCOC1 1301567353 HNIGQBGCXCYXTD-SFHVURJKSA-N 447.561 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOC2(CCOCC2)C1 1301586490 MNMJTVSKFMSOAG-UHFFFAOYSA-N 447.561 1.251 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1301587027 LGRATCIWPTZNES-MRXNPFEDSA-N 435.525 1.311 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301799795 NAJNVRXINYLMCW-LAUBAEHRSA-N 434.541 1.511 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@@H]1C 1301887438 GSDBVNGAEDXSBM-KRWDZBQOSA-N 437.548 1.500 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1302098312 GKMHTNXRVMTQMG-KRWDZBQOSA-N 432.550 1.574 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1302175937 ZJFCGKILZAHOLS-GAJHUEQPSA-N 441.532 1.988 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1302286375 GTKWVPRXIAZQBZ-ZWOKBUDYSA-N 436.532 1.555 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)F)C1 1302978794 LTSRVQLPYOTODH-GOSISDBHSA-N 428.365 1.970 30 10 IDEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1303003295 DYMWTQGKIADBCG-HZPDHXFCSA-N 428.459 1.928 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CCN1CCOC 1306409956 MAZSOBCAGOCSMW-OAQYLSRUSA-N 439.564 1.890 30 10 IDEE CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306533765 CQWMMDNNBWJXOZ-VGSWGCGISA-N 438.536 1.374 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 1309994497 IMGRUFCCCAVXNV-UHFFFAOYSA-N 438.550 1.812 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314536634 LVWSVJSLQAXBBF-QGZVFWFLSA-N 445.549 1.158 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1315979820 GGGXCJBTQSVRCH-VXKWHMMOSA-N 442.520 1.218 30 10 IDEE C#CCCCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1358906033 SYOVPWMKRHQQCR-IXDOHACOSA-N 437.566 1.517 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358955521 NNKSWXFPPSWUNU-LJQANCHMSA-N 443.573 1.735 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1358959855 QXITVLRNDJCYJC-CQSZACIVSA-N 445.936 1.402 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncnn1C(C)(C)C 1358970486 PIUGJYYBOAUVGP-QFIPXVFZSA-N 425.537 1.786 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1snnc1C 1358978737 SVLMWVGYPSZZFO-UHFFFAOYSA-N 433.545 1.733 30 10 IDEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1359130972 DFHKROUFTXXYSS-FQEVSTJZSA-N 438.532 1.981 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1359294526 WNHBXMHZZALDBK-IBGZPJMESA-N 432.481 1.093 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359347540 NDUODDNULAGHTA-HUUCEWRRSA-N 432.554 1.581 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1359427078 GWBUZTIKGNKORH-UHFFFAOYSA-N 439.589 1.970 30 10 IDEE CC(C)CO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1360056156 AYTNXJSOCKYZGX-ZBFHGGJFSA-N 436.538 1.653 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@H]2CCOC2)cn1 1360486876 HZZPWRZGWPXZSW-LPHOPBHVSA-N 448.531 1.917 30 10 IDEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1360529233 DWVPIVMMHXKITO-HOTGVXAUSA-N 447.540 1.498 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CC2(CCOCC2)C1 1360681480 QYFZJEZWJLMHDE-KUHUBIRLSA-N 440.545 1.537 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(F)c(N2CCOCC2)c(F)c1 1435549994 AKMKMTCPWAARSG-CQSZACIVSA-N 428.443 1.814 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](F)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1435909852 BRNHTYJUGVCTKA-RDJZCZTQSA-N 434.516 1.844 30 10 IDEE N#Cc1cn(CC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)nc1O 1440611728 BIHNVAONVBWUNF-UHFFFAOYSA-N 426.436 1.990 30 10 IDEE C[S@@](=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1444492823 XXQXFLWPGVUQTI-DIKBHRDCSA-N 438.594 1.296 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccc21 1456060931 JZLYCCLHWPOPOT-HXUWFJFHSA-N 446.511 1.695 30 10 IDEE CCCCn1c(N)c(N(CC)C(=O)CN(C)CCc2cccc(C#N)c2)c(O)nc1=O 1460658437 AKBWETPBEZNXDT-UHFFFAOYSA-N 426.521 1.730 30 10 IDEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccsc4C#N)CC3)ccc2O1 1464068036 GNADPMMLRVRNNE-GOSISDBHSA-N 447.538 1.997 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)NCC(C)C)CCCC2)s1 1465693722 KULWVVRGULQEMF-UHFFFAOYSA-N 427.592 1.956 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)CCOC1 1470265886 QIYZCTFILCOPHV-HSZRJFAPSA-N 437.500 1.554 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1504853441 CGCLEWBAJKUVTD-GOSISDBHSA-N 432.550 1.018 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@](F)(C#N)C1 1505144592 RHXHBXZWEHVKPF-QGZVFWFLSA-N 426.905 1.980 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(C)cn2)c1 1507550091 FKERFIJAJMUKQL-LJQANCHMSA-N 446.515 1.491 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507626436 NZUXCTLDJPURMV-KRWDZBQOSA-N 441.513 1.925 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1507654143 WNCROIRORZRGBB-CVEARBPZSA-N 443.598 1.883 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(C)=O 1507701929 PNMQMDPKKZEERZ-SFHVURJKSA-N 447.536 1.485 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1507751925 POEVAFQWOXXHEF-AWEZNQCLSA-N 437.529 1.662 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507754171 UYHWKXWZHOLNCT-KRWDZBQOSA-N 426.546 1.746 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507957664 SLPWEKMSXSVQLG-SFHVURJKSA-N 436.520 1.695 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507982583 NHSLGZXJQGVRSC-BRWVUGGUSA-N 425.599 1.690 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)Cc1cnn(C)c1C 1508092446 COGRLEWCPVXRPS-UHFFFAOYSA-N 427.484 1.977 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1508199728 YGOQHQYCASONIE-KRWDZBQOSA-N 429.912 1.981 30 10 IDEE Cc1cc2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@H](C#N)C3)ccc2[nH]1 1510691622 HGVWMSPUXABPHZ-RHSMWYFYSA-N 443.533 1.455 30 10 IDEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1514058581 IAHIAAJYMJZADV-IERDGZPVSA-N 429.546 1.993 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCOCC2)CC(OCC)C1 1516523759 BNXOUOYZOHUVEV-SGDIKTSBSA-N 436.532 1.526 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1529831844 YDPPAALLTWGECG-INIZCTEOSA-N 429.292 1.116 30 10 IDEE CC1(C(=O)NC[C@@]23COCCN2C(=O)COC3)CCN(c2ccc(Cl)cc2C#N)CC1 1535335938 LODVMGSAFAXZGA-QFIPXVFZSA-N 446.935 1.562 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCN1CCN(c2ccncc2)CC1 1539257707 VWXINQDZXPHDJU-UHFFFAOYSA-N 442.571 1.964 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@H]2COCCO2)n1 1539424183 NKDRUNHPYSISNK-HXUWFJFHSA-N 428.537 1.834 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539526223 LPWQRQAIMKCDAX-AWEZNQCLSA-N 432.575 1.303 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539526253 GOVJDMSMJDSXLZ-INIZCTEOSA-N 429.546 1.899 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539722728 QYXQPKWGUBAJBH-SFHVURJKSA-N 441.536 1.823 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1540071365 FHCNLMWFYFVDEG-LJQANCHMSA-N 448.593 1.656 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccoc1C 1540866175 FKGBKPBMUKHWDY-UHFFFAOYSA-N 433.476 1.761 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(CO)CC1 1540867540 ZINNCSFLEJUFQK-UHFFFAOYSA-N 429.521 1.863 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1540875275 GEBMHGJMEYMUBO-OAHLLOKOSA-N 446.895 1.454 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1540876647 XNYVOAXPSKJPQH-LFWOZUSOSA-N 449.552 1.005 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)n(C)c2=O)C1 1540895686 XJFQAVUKAVOVAO-FQEVSTJZSA-N 437.548 1.976 30 10 IDEE CC(C)N1CCC(O)(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1 1541111840 CIVAAQHPBLDYQR-INIZCTEOSA-N 443.552 1.837 30 10 IDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)COCCO1 1542015628 PWOOTISTNMVDDR-YLJYHZDGSA-N 431.518 1.246 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)n1 1543045651 SSCGWHRUCVRZRL-OAQYLSRUSA-N 428.516 1.888 30 10 IDEE COCCNC(=O)[C@@H]1CN(C(=O)N(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368026 IMAKKZFRAOSXSH-INIZCTEOSA-N 427.427 1.512 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1Cc1nncn1C 1554325349 JURRDDWBGUDBCT-UHFFFAOYSA-N 430.314 1.963 30 10 IDEE Cn1cc(-c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CCS(C)(=O)=O)cn1 1554334813 VDCCYRWPLGNQFB-AEFFLSMTSA-N 425.518 1.467 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1555985821 AVOXSDXHHZCQJS-KKSFZXQISA-N 425.468 1.493 30 10 IDEE CCn1c(C)cc2[nH]nc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)c2c1=O 1559001309 OFNXMWLTUZRQPW-LLVKDONJSA-N 442.501 1.509 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N3CCO[C@@](C)(C#N)C3)cc2)CC1 1563911263 YWPCSJRSKDGTIO-QHCPKHFHSA-N 443.548 1.096 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2CCN(C3CCOCC3)CC2)C1 1564530646 GMHPGQWQQQCJCH-HKUYNNGSSA-N 435.569 1.936 30 10 IDEE CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585139089 QRNLWQGAJZRQDD-BPXKWBHBSA-N 442.541 1.248 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@@H]3C[C@@H]3CCOC3)C2=O)cc1 1585475933 CRTQIYRPTCZFNM-YTQUADARSA-N 426.473 1.417 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1594962123 ISRVUZMYRLUPAT-INIZCTEOSA-N 435.525 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1595523047 NZGKVSIBTSMXTJ-MRXNPFEDSA-N 440.508 1.670 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1613569337 GOVVEMKHYCMEJO-OAQYLSRUSA-N 445.568 1.609 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1616578128 DYHRCGFBYYXSQU-GSVIPDFHSA-N 438.488 1.388 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)C1=O 1618560606 MADHVQGIKIQSJQ-VFNWGFHPSA-N 432.525 1.865 30 10 IDEE COC[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619721733 MLVAAIAERZIYME-FVGNFYTDSA-N 437.504 1.263 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1620041467 JKDLEDHWTZMPKP-ZWKOTPCHSA-N 428.493 1.717 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1620176304 AXWURDJOONSWMQ-ROUUACIJSA-N 430.534 1.371 30 10 IDEE COC(OC)C(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 1620315748 YUIZLCDXDHPWET-UHFFFAOYSA-N 439.516 1.667 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)CC1 1620353984 ZMEKCOWVLCSJJP-QZTJIDSGSA-N 437.566 1.506 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCn2cc(Br)cn2)CCO1 1620356754 HZLUPTBRSIDNTP-HUUCEWRRSA-N 436.314 1.908 30 10 IDEE CC(C)(C[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1)C(N)=O 1624478881 QKTRPTRKIOTYCD-OAHLLOKOSA-N 434.562 1.646 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)NC)s2)c1 1625096745 FLQBRBPDMSCMDT-UHFFFAOYSA-N 426.541 1.383 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1F 1629819685 HCDYJZRHIJGTQE-HZPDHXFCSA-N 440.497 1.300 30 10 IDEE COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)CC#N)CC2)c1 1630034741 UFOSGIGHUHNOKZ-GOSISDBHSA-N 430.505 1.715 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCCS(N)(=O)=O)cc1 1630686776 AGZLPNCWTJIZBG-CAPFRKAQSA-N 430.552 1.287 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)C1 1632871891 NWAMGPFTTNMJJJ-IRXDYDNUSA-N 433.306 1.263 30 10 IDEE C=CCC[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1636822878 VNPZFFRSWUIHEN-HOTGVXAUSA-N 425.526 1.906 30 10 IDEE CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1638849562 LZRBQUNZULWBOB-QGZVFWFLSA-N 427.505 1.920 30 10 IDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 1639825375 ULQVNNIJPUPTLV-OAHLLOKOSA-N 439.476 1.564 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](Nc2ncccn2)C1 1639943002 LGOZDSMGTATGFJ-RDJZCZTQSA-N 442.545 1.787 30 10 IDEE C=CCNC(=O)NC(=O)CN1C(=O)N[C@H](c2cc(Br)ccc2OC)C1=O 1643733516 LCJOVZUPNRZEJJ-CYBMUJFWSA-N 425.239 1.062 30 10 IDEE COC(=O)N[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1644457649 VWUNWAMSNUKYFQ-HOTGVXAUSA-N 429.521 1.786 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(Nc3ccccc3C#N)CC2)cn1C 1647922888 IITJVQFCYBUHST-UHFFFAOYSA-N 430.534 1.372 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cc3ccccc3I)C2)c(=O)nc1O 1648028909 RDQQJWCGCPWSQW-UHFFFAOYSA-N 436.209 1.051 30 10 IDEE COCCOC(=O)c1c(C)[nH]c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1C 1651220552 BIQBMSGBXMBPGB-UHFFFAOYSA-N 443.456 1.952 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1 1652938235 QIQSWEPSSFKSDB-SFHVURJKSA-N 446.463 1.313 30 10 IDEE N#Cc1c(N)sc2c1CCN(CC(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 1660489861 VQMNYKPOGALFSW-UHFFFAOYSA-N 429.521 1.852 30 10 IDEE C#CC[C@@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccccc1 1670716514 NQVLAWPCACAJKT-MRXNPFEDSA-N 432.468 1.911 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1689832128 XGAQVJJQFIFHGW-CEXJFXJFSA-N 443.523 1.871 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689940350 WQKWJPVALIRVII-QGZVFWFLSA-N 440.479 1.882 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689978013 JUSSQWDYPNRBOJ-KRWDZBQOSA-N 442.545 1.742 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986010 GXARYEOPTZCWPV-AWEZNQCLSA-N 435.937 1.313 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689991336 ZUIPKHFRQYDNSB-HUUCEWRRSA-N 443.367 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1690148751 SDNBSESFFBGVLY-UHFFFAOYSA-N 434.588 1.906 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@H]1CC 1690234403 CQHZGFWUHWAGKI-MJBXVCDLSA-N 428.331 1.626 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1690585957 BCDBTQSQUGXUTM-UHFFFAOYSA-N 429.344 1.763 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690672740 BNUPQNYGSGBYAP-UHFFFAOYSA-N 443.515 1.783 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)C1 1690697224 QRQUCXXOMCOZLQ-JKSUJKDBSA-N 434.541 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690722358 GRGDCHLOYZHIOB-GOSISDBHSA-N 446.577 1.826 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCO[C@@H](C)C1 1690723522 UPOVVNUTAUXNFE-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnc(C(C)C)nc1 1690723662 XXBLTXHMALXHGD-INIZCTEOSA-N 447.565 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690724787 WIXINUXLUMGMJA-SJLPKXTDSA-N 434.566 1.848 30 10 IDEE CC(C)N1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1692484367 CXROQKHXAZTFIC-FQEVSTJZSA-N 433.532 1.191 30 10 IDEE CCNC(=O)N1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C#N)o2)CC1 1695933400 CENDMEVZNVPRQA-UHFFFAOYSA-N 442.524 1.561 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C)s1 1696469696 GDHYNVOQSILHHL-UHFFFAOYSA-N 431.547 1.896 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1CCCNS(C)(=O)=O 1696688752 ZUSVAEOBQUHGEH-SFHVURJKSA-N 432.550 1.967 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)C1 1698484078 NDBKLKBGJCSNKX-FQEVSTJZSA-N 434.422 1.448 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1NC(=O)CC1(C)C 1705547007 PORXEHCSGACBFB-HNNXBMFYSA-N 443.577 1.531 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1705554575 YRHRVVJIQBGFFU-UHFFFAOYSA-N 437.566 1.456 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705566055 LQQHBMYTFPRIAC-JYRCXFKTSA-N 438.619 1.864 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1705637020 GNTUUZFBUXJXFZ-FQEVSTJZSA-N 436.560 1.504 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705647629 IZGBWRACOPLGSG-CMKODMSKSA-N 442.564 1.256 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(N)=O)CC1 1705895817 SYXAWGZBJYZHBZ-UHFFFAOYSA-N 434.447 1.550 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705910828 OEMVUULBHZYGJN-WMZOPIPTSA-N 438.532 1.744 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)C1 1705927064 PWNKLYNWXDZHJH-SFHVURJKSA-N 431.562 1.961 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705944100 VDQPNPJHOBUTHF-KRWDZBQOSA-N 447.609 1.876 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1712319496 RQONJQJTLCICMQ-LZJOCLMNSA-N 427.461 1.718 30 10 IDEE COCCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712379441 CVIRJGGVODCIIF-UHFFFAOYSA-N 426.569 1.963 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1722316902 OAMJVRQZWGUPSC-JCYILVPMSA-N 427.546 1.599 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1C(C)(C)C 1722386990 ONKWXJPTGPKJNO-UHFFFAOYSA-N 436.545 1.737 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(CC)CC1 1722465125 ZKDDKVQZEOBXMZ-HSZRJFAPSA-N 427.597 1.534 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722527927 TWTNZRFXWPNWFV-OAQYLSRUSA-N 434.541 1.820 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722700208 AJRUTTYERMEFRX-SBUREZEXSA-N 441.532 1.564 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1722704316 QRBHREICSCLPDY-AVRDEDQJSA-N 432.569 1.297 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(CC)C1 1722724132 OKESGWXNJRDNRJ-YOEHRIQHSA-N 433.600 1.116 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722737941 WUHZWVJRSSHGEI-HNNXBMFYSA-N 425.584 1.116 30 10 IDEE CC(C)Cc1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1723282986 QYFBOIALWPEMMU-ABUFQMGBSA-N 427.553 1.676 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1728257306 FAFXGOHNRWJNEG-UHFFFAOYSA-N 435.532 1.886 30 10 IDEE CCOC1CC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1728914712 CUVSHNZGJFAYAX-LEPAWZOPSA-N 425.530 1.827 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1729341624 FHRVRGMGWQQPNE-MRXNPFEDSA-N 441.517 1.301 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCS(C)(=O)=O 1740531177 GVQNFVKWPLLFMV-CQSZACIVSA-N 437.953 1.754 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1740551517 UDFZNENFKBVNOE-CVEARBPZSA-N 449.515 1.547 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(COC)CCCCC2)CC1 1740695775 CYYQRGIKNACIHY-IBGZPJMESA-N 449.621 1.532 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740697631 ARKWMGIFGYBLSW-UHFFFAOYSA-N 439.564 1.886 30 10 IDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(=O)N1CCOCC1 1744688813 FJTILPJRMFVLLU-UHFFFAOYSA-N 427.484 1.037 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)COCCO1 1747186849 OUNXLXDWGBZGPS-NRFANRHFSA-N 427.509 1.213 30 10 IDEE CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1747633607 MYRKMWYOTGVSTC-ZJYNUGOYSA-N 427.509 1.525 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747797520 GIFDBWCCTGVAJW-IBGZPJMESA-N 444.542 1.459 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1748069122 BXMQTVAEIHWQGD-INIZCTEOSA-N 431.302 1.738 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1748724854 JZKVHXRPRJLXST-UHFFFAOYSA-N 433.582 1.415 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1748811178 CWHHBEZXGHBEFX-ROUUACIJSA-N 430.578 1.697 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749043051 CWZOUBDYJPJIJQ-IBGZPJMESA-N 440.577 1.818 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1749354491 RNLNYANKWLAZQH-UHFFFAOYSA-N 441.536 1.823 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749664767 ZDFCLFPKOLQLDK-QGZVFWFLSA-N 426.521 1.664 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749680681 NQZFLGZYVMXQDT-GOSISDBHSA-N 440.548 1.739 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCOCCS(C)(=O)=O)n1 1751613142 TZUKSBRHZJVAJG-UHFFFAOYSA-N 432.550 1.840 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1760110569 FCZMOOQHSBWRPB-QGZVFWFLSA-N 449.559 1.761 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1760168061 MRRMOQYZMSSMRT-FQEVSTJZSA-N 435.536 1.347 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 1760193795 QVGBYKGADPDLHL-UHFFFAOYSA-N 434.548 1.026 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccn2)CC1 1760517881 BENIBVIJGSIGCX-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760546283 MITFJGDFXHHLMD-KHOFPDMRSA-N 449.515 1.572 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760559386 NUWFXWKZRWMTLO-AWEZNQCLSA-N 429.506 1.485 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CCOCCCO)cc1 1770732901 MBRGGRYLCICUCE-IBGZPJMESA-N 438.532 1.711 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@@H]2CO)C1 1771530620 PKTAPMVIQVWSCS-DENIHFKCSA-N 427.528 1.943 30 10 IDEE CN(C)c1ncc(C(=O)N2CC(Oc3cccnc3C#N)C2)cc1I 1848621484 FACSZDVRISRYON-UHFFFAOYSA-N 449.252 1.922 30 10 IDEE C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCC#CCN1CCOCC1 1850335451 ZTKMUSXQSHVKKK-ZDUSSCGKSA-N 434.345 1.112 30 10 IDEE N#Cc1cc2c(cc1CC(=O)NCCn1ncc3c(N4CCCCC4)ncnc31)OCO2 1852725118 BHMUPZNXOSYLRO-UHFFFAOYSA-N 433.472 1.776 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(F)c(F)c(OC)c2F)C1=O 1854176551 XUKQFPFHOKQJCP-ZIAGYGMSSA-N 425.407 1.572 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)[C@@H](C)C2=O)CC1=O 1855002520 POGCMVAZURSAAF-DLBZAZTESA-N 433.530 1.086 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)CC1=O 1855104084 LACCDZMUFMSNRO-OAHLLOKOSA-N 427.473 1.365 30 10 IDEE C=C1CCCN([C@H]2CCCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1855122636 CSNGLPYDKAIZRQ-KRWDZBQOSA-N 431.514 1.391 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855426717 HLANPYNWMGKAOA-JKSUJKDBSA-N 433.530 1.775 30 10 IDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)C(=O)C2)C1 1856835920 BJNDCEBJFSUTJO-LJQANCHMSA-N 433.574 1.344 30 10 IDEE CCCN1CCN(c2ccc(N3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)nn2)CC1 1890309797 DUIQVMFUWUKING-UHFFFAOYSA-N 433.560 1.772 30 10 IDEE COC(=O)[C@@H](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)NC(=O)OC(C)(C)C 2010517755 SWAQQIWGWKUACH-QZTJIDSGSA-N 430.505 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247918044 HVJIIQWSEOQICD-STQMWFEESA-N 439.343 1.464 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416348 QRURYSCYHCHGBP-SRVKXCTJSA-N 438.359 1.747 30 10 IDEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255840346 LLXDWVCRLTWYFW-UHFFFAOYSA-N 437.350 1.491 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267094629 IOCZKURDLQDUBW-CABCVRRESA-N 448.329 1.169 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)n1 2267108725 INLWSTTVWNSEOA-MJBXVCDLSA-N 447.345 1.100 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267183597 GXOKWFYFNPVUHZ-KDURUIRLSA-N 436.365 1.923 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267263555 HQRDQYGCXZJZGX-BTTYYORXSA-N 447.345 1.052 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267606002 RPELRRFTJYVAFW-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)nc2)OC1(C)C 2270585352 YKQSDERBDFZBDI-CYBMUJFWSA-N 442.247 1.449 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1COCCN1Cc1ccccc1 2337193727 GMTDJBUMJWVWFF-SFHVURJKSA-N 440.353 1.350 30 10 IDEE CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c1 20467384 ALYYFBKFCPPNPM-LBPRGKRZSA-N 449.558 1.953 30 10 IDEE N#Cc1c(CCCNC(=O)Cn2c(=O)[nH]c3ccccc32)nn(-c2ccc(F)cc2)c1N 195670805 YYBRYYRSEALPGU-UHFFFAOYSA-N 433.447 1.857 30 10 IDEE CN1CCN(c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(C#N)c(=O)[nH]2)CC1 223969225 FBFFSBGKOWMYCD-UHFFFAOYSA-N 442.545 1.235 30 10 IDEE C=CCN1C(=O)C(=c2sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c2ccccc21 254289515 FZRBBCOQBHZGEI-UHFFFAOYSA-N 428.473 1.553 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 410073066 BNRTWELBAPSZLS-INIZCTEOSA-N 425.551 1.221 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)CC1 410207767 NMWPEBGRULDIRB-JOCHJYFZSA-N 448.523 1.689 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)CC2)c1 463005523 AEPUULUBZFJRCR-UHFFFAOYSA-N 440.529 1.525 30 10 IDEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCN(c2ncccc2C#N)CC1 465971966 ZQSSVVAHWSXHEK-HXUWFJFHSA-N 433.560 1.996 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 502858283 VFRAPVHOVFBVLY-KRWDZBQOSA-N 434.562 1.979 30 10 IDEE COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1OC)c1ccc(OC)cc1OC 527441403 BNBVLOAFUMCUHG-QGZVFWFLSA-N 441.440 1.943 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 540123275 PPGCENBKHVUHFY-KDOFPFPSSA-N 431.518 1.176 30 10 IDEE Cn1cc(-n2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)ccc2=O)cn1 546873984 JOIBYQPQAIOTHS-SFHVURJKSA-N 434.481 1.596 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 579329921 BUXJDWDRMYPWTJ-OAQYLSRUSA-N 449.559 1.810 30 10 IDEE C#CCn1nc(CNC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)c2ccccc2c1=O 585170800 QUEPRMZJOXSKSR-INIZCTEOSA-N 430.464 1.708 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c(F)c1 586858977 NWTAVLALYIYEDU-OAQYLSRUSA-N 449.486 1.263 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 623009080 ZAIJLEYKMOXLPS-UHFFFAOYSA-N 429.567 1.176 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c(F)c1 726301565 ZGOYPOJBCNEIMY-UHFFFAOYSA-N 437.475 1.821 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730138414 CGAMLIIQXAOBPA-QGZVFWFLSA-N 433.578 1.439 30 10 IDEE CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730141272 IVASGYBFKVWFJF-BQFCYCMXSA-N 447.605 1.989 30 10 IDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 731213401 AZZWHOGBDDWRRG-RBUKOAKNSA-N 432.542 1.634 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 732153509 IFXPUKIKKDCLKN-HBWVRPOVSA-N 433.468 1.065 30 10 IDEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 732496476 WOUFCCJYHCLIRO-DYESRHJHSA-N 446.463 1.818 30 10 IDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(c2ccccc2F)C1=O 732791308 ZRUGFVNIZZBSQI-MRXNPFEDSA-N 430.461 1.128 30 10 IDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 733672821 CESLWZRKWNTEFV-UHFFFAOYSA-N 446.573 1.930 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3CCCc4ccccc43)cc2C1=O 750646795 UPUYTGLWJWHVQZ-UHFFFAOYSA-N 425.466 1.896 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 754387330 DIFJCYDBIJYJET-CYBMUJFWSA-N 425.511 1.286 30 10 IDEE CC[C@H](CO)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 754436794 LEJZKSFUSCVXQO-QGSQVHNNSA-N 437.566 1.420 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CCN1C1CC1 756780664 QTEBTPLIOIAZDJ-OAHLLOKOSA-N 430.871 1.861 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)cc1 758584324 PXWAEVHQABQAMW-KSSFIOAISA-N 441.492 1.834 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 773953128 GAFBXKLHORLXCJ-FOCLMDBBSA-N 442.463 1.911 30 10 IDEE COc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(OC)c1C(C)C 779159166 ATRHTLDXLBEBLX-VHEBQXMUSA-N 430.461 1.408 30 10 IDEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1nnn(C)n1 782797626 LBWGXPPEPPQWNS-HNNXBMFYSA-N 444.565 1.027 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 800779133 SAOBOSMEBJLZNS-INIZCTEOSA-N 448.549 1.361 30 10 IDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)c2C1 801288451 XMWZVHFZJHZDIG-UHFFFAOYSA-N 437.504 1.932 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)Cn1nc(C[C@H]2CCS(=O)(=O)C2)n(C)c1=S 808236113 UKGIHRVSNQYZDC-GOSISDBHSA-N 449.602 1.906 30 10 IDEE CC(C)CN(C(=O)CON=CC(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 809922489 QCMDLWGJZDXHSZ-AWEZNQCLSA-N 429.926 1.953 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(S(C)(=O)=O)c(C)o2)c1 1125419182 REGUTUZVOVPDHE-UHFFFAOYSA-N 430.482 1.478 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CCCC3)CC2)cn1C 1127028227 NDKRTXSSBPJVTH-UHFFFAOYSA-N 441.557 1.945 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)ccc1F 1130015647 KUHWAFKDJHSNGO-MRXNPFEDSA-N 430.523 1.329 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)ccc21 1143720419 SIYCSUMZLKBDOP-JOCHJYFZSA-N 445.523 1.934 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 1151140607 MMVIWMHIWRMMPT-QGZVFWFLSA-N 449.891 1.926 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 1165353889 MTNFAVBZKKQAOC-ZDUSSCGKSA-N 431.495 1.439 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCOC[C@H]1CNS(C)(=O)=O 1175080126 TYHGUGWOANQKQG-LSDHHAIUSA-N 426.564 1.127 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1 1175252007 ZNAUUXBRCNHKNT-DNQXCXABSA-N 449.511 1.898 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncccc2O[C@H](C)c2ccccc2)CC1 1216791116 UKEXTDOZFCAFLR-QGZVFWFLSA-N 443.529 1.839 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCN4CCSCC4)CC3)n[nH]2)cc1 1227244706 AYHMOPABWIUJED-UHFFFAOYSA-N 425.562 1.829 30 10 IDEE COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1C 1235499010 VPXNLVIPFWQWSC-TWOQFEAHSA-N 432.502 1.076 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286325423 XXNWSLQZWUCWQI-NQIIRXRSSA-N 435.594 1.285 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1286369516 SCLZIWCLHJIRQM-UHFFFAOYSA-N 426.502 1.631 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286389872 RZQDMMMUUASYNF-IRXDYDNUSA-N 431.493 1.043 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-c2nc[nH]n2)cc1 1286415612 PRUKBDJAWVOWJR-PMACEKPBSA-N 431.500 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)C(C)C)CC1 1286488828 VJSLZWCKJOCBMY-GOTSBHOMSA-N 447.580 1.303 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)OC)CC1 1286492113 HQVSFSNRBHQMCP-QGZVFWFLSA-N 441.532 1.866 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286512443 UZOCGDVVARRXPS-UONOGXRCSA-N 447.542 1.750 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1286715557 ZXUPZTRSBOHTJO-APWZRJJASA-N 448.593 1.125 30 10 IDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286721863 KETWZPLVLFKDGF-HXUWFJFHSA-N 428.518 1.303 30 10 IDEE CC1=CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1290250220 HCLLPZPWRSLPLF-CZIZESTLSA-N 448.487 1.608 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1290627426 DNPRVWLIEOTSAN-QFBILLFUSA-N 435.529 1.407 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N(CCC#N)CC1CC1 1291323179 HRLRWUMJSKQNAB-BTYIYWSLSA-N 444.561 1.940 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1297587174 NFGCSMCKYMKYLM-HXUWFJFHSA-N 440.548 1.924 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1300412380 XFNBJLHWKTYYJW-SJORKVTESA-N 446.552 1.667 30 10 IDEE COc1ccccc1OCc1nnc(N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1300651223 UMGWROBSIYHKGU-MRCUWXFGSA-N 438.488 1.992 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CC(OCC)C1 1300664955 GUPZAZHSUCFVBZ-UHFFFAOYSA-N 428.489 1.690 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2(C)C)CC1 1300683201 NBZDUNFXWRXWNU-CVEARBPZSA-N 440.639 1.175 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](F)COC)CC1 1300688690 JJBAAJKDIGKMID-KRWDZBQOSA-N 447.511 1.711 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1300868693 GSGIOCKRDLKPMO-YWZLYKJASA-N 427.505 1.880 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300989444 OMRAKYBKMIDKGK-IAGOWNOFSA-N 432.525 1.238 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1301415639 XQJOFPLHZXWDDS-LJQANCHMSA-N 444.561 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1301492805 ODJYZJNLGJBNHB-IRXDYDNUSA-N 440.548 1.937 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1301951674 CXOIHMNDPVOVKY-JKSUJKDBSA-N 425.603 1.749 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1301972181 SGLNINFOOGUUGG-HOTGVXAUSA-N 439.511 1.352 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1303002037 QQRQMSKMRLCGDD-GOSISDBHSA-N 430.534 1.760 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)cc2)cc1 1303075876 JFXUSYMPUALMAR-HXUWFJFHSA-N 439.541 1.760 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c1 1303385353 CMRQSMUFLUNCOJ-HSALFYBXSA-N 446.569 1.756 30 10 IDEE N#Cc1ccc(CSc2ccccc2C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 1303994447 WWDXHLSQYFCDQL-KRWDZBQOSA-N 428.539 1.825 30 10 IDEE COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1304002126 LOKAQHRKHKIZIR-XPIZARPCSA-N 449.529 1.658 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1305780587 JTQDFPCFVUORSP-PIIMJCKOSA-N 448.545 1.816 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CC[C@H](C(N)=O)C3)nnc12 1306856500 BNUHDDXLMNFIHT-QWHCGFSZSA-N 426.502 1.093 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN(CCC#N)CCN2CCOCC2)C1 1308559652 FWRZDYDDDDHABO-IBGZPJMESA-N 437.585 1.298 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(N4CCCOC4=O)CC3)C2=O)cc1 1312624271 BGZLBNUSYZKXFR-LJQANCHMSA-N 425.489 1.675 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1314561181 ALQVOVTYKKOQHU-ROUUACIJSA-N 444.561 1.903 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCNS(C)(=O)=O)C[C@H]21 1316302340 SYWGBQGAOVTHRN-IPMKNSEASA-N 444.561 1.475 30 10 IDEE C#CCN(C(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1352903612 BZPCJIYRRRPVAR-OTWHNJEPSA-N 434.514 1.061 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCC(=O)N1CCOCC1 1359020295 XYHGQAUPECAYIX-UHFFFAOYSA-N 427.505 1.289 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCOC2)n1 1359027644 QGVCRMZSSAYWTG-QFIPXVFZSA-N 440.504 1.481 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cc(C)cc(C)c2)CC1 1359028863 HDBKXDYKXHKAEB-IBGZPJMESA-N 444.605 1.503 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1359122041 URVKVOCFOZDCEI-QGZVFWFLSA-N 440.614 1.498 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359137612 UYLAMPIWMZRHJO-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(C)=O)CC1 1359296695 QUYOESHCCYQFJY-UHFFFAOYSA-N 426.477 1.081 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN2CCN(C(C)=O)CC2)C1 1359317749 PJIUJVMNGAJBDL-LJQANCHMSA-N 425.537 1.286 30 10 IDEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 1436302783 QOBNLZJQXVPHKM-UHFFFAOYSA-N 444.509 1.658 30 10 IDEE CCOC(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1441141279 XIPIYIXTAQEDAI-QGZVFWFLSA-N 428.518 1.906 30 10 IDEE N#Cc1ccc(CC(=O)NC[C@H](O)COc2ccc(I)cc2)cn1 1445804790 UAFUQOCDAPSLPZ-HNNXBMFYSA-N 437.237 1.656 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1456879301 DKMFSMYJJOFIIY-CYBMUJFWSA-N 431.246 1.783 30 10 IDEE CS(=O)(=O)N(c1ccc(OCCNC(=O)C#Cc2cccs2)cc1)S(C)(=O)=O 1466448351 SELNGVPXJJJORH-UHFFFAOYSA-N 442.540 1.020 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1 1470511046 IHPGOKVPGVOARV-OAQYLSRUSA-N 434.544 1.733 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)C1 1471833348 VYTUKPRJIGVSMQ-KRWDZBQOSA-N 431.514 1.793 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=O)N1CCOCC1 1507610170 IPHQFAIIUCAQLU-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1507635244 UVRUXQLWFZDSHO-HXUWFJFHSA-N 443.573 1.352 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C 1507644428 HURQYZGRKKMXPF-KRWDZBQOSA-N 428.562 1.218 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(OC)nc3ccccc23)CC1 1507717038 XXHYKCBEVXGTNV-UHFFFAOYSA-N 447.543 1.777 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507724830 KDJVQERCWRYGHS-UHFFFAOYSA-N 447.518 1.973 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(O)CCC2)CC1 1507739869 GJCMGJTUHHWRQO-UHFFFAOYSA-N 439.564 1.411 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)CC(F)(F)F)C1 1508121989 HHEBWBKZLGGDJP-LSDHHAIUSA-N 430.475 1.895 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1509953146 KQOCNUKPQZRFOS-ZACQAIPSSA-N 425.555 1.504 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1518747758 MOGZIGVSHUYOQQ-OALUTQOASA-N 425.468 1.903 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCC(=O)NCCN1CCCCCC1 1523953085 BYDAQVIAXQYYSQ-UHFFFAOYSA-N 437.338 1.808 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1539089496 NYMXOODJWZEBOC-UHFFFAOYSA-N 425.537 1.886 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539201910 CRPUNXJMLWFURB-CVEARBPZSA-N 442.607 1.170 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539212084 QWXXYUMTESASAD-HNNXBMFYSA-N 443.533 1.098 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O 1539246833 YBBQFAFXEFGUHN-UHFFFAOYSA-N 449.536 1.477 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)ccc2OC)CC1 1539428909 XSAMSJKIDDGGFM-UHFFFAOYSA-N 430.940 1.882 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1539482678 WHQMGQFACINFMQ-LEWJYISDSA-N 442.608 1.868 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1539632988 WEKQGLBSVYGRNA-UEXGIBASSA-N 447.580 1.885 30 10 IDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1539792921 DORJOBPQYAGFCF-QGZVFWFLSA-N 449.987 1.699 30 10 IDEE C=C(CO)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1540717348 FQBQHKZRSBNILX-RIYZIHGNSA-N 428.413 1.998 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1540866821 BITPLIANXRGZJO-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1nncn1C 1540903014 WKDRKVPGZZUTGF-CVEARBPZSA-N 435.554 1.591 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1Cc1ccc(C#N)o1 1545864200 LTEAKNVKGOITJA-OAQYLSRUSA-N 427.509 1.672 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1548288934 PWHBTJCNMJOMDT-KRWDZBQOSA-N 428.493 1.659 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1555961607 TUWJITFGEJOPNO-RVKKMQEKSA-N 427.509 1.288 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CC2)nnc1N1CCC(CCCO)CC1 1556023101 SPTOPUWADZBYRQ-QZQOTICOSA-N 428.537 1.746 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1557383562 BFCXJZRCPXEXJG-PZJWPPBQSA-N 443.525 1.821 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)COCCO2 1558099332 SDALKAVYJRRTAY-KRWDZBQOSA-N 435.546 1.692 30 10 IDEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1558656787 AKWFFFZLKJCLMO-IFXJQAMLSA-N 443.481 1.360 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@H]1c1ccc(F)cc1F 1559928535 CNSZRVHXOVFDAA-ZVDOUQERSA-N 448.514 1.846 30 10 IDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1 1559932231 CHQPMWAUKGCKMU-KRWDZBQOSA-N 431.512 1.967 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(I)n[nH]c2C)n1 1568521811 KQXDNBWFAFFQIH-UHFFFAOYSA-N 427.246 1.441 30 10 IDEE CCCCNC(=O)OC[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1568920925 IZOOYIFGSSYECC-QGZVFWFLSA-N 436.534 1.744 30 10 IDEE C=C(C)C[C@@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OCC 1583526335 MFRKMVTUEAGUNX-LJQANCHMSA-N 437.562 1.461 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1588749836 AJSNXZKFUUNEBI-QHCPKHFHSA-N 443.523 1.881 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CC(OCC)C2)CC1 1588811362 HOWLDYMTZFMHBG-JLAWEPINSA-N 435.594 1.141 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C)COC2)CC1 1588946689 HKWCJXXHGZEJLY-UHFFFAOYSA-N 437.544 1.880 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1593625370 SRRGCJDGRYZAHY-FHWLQOOXSA-N 443.596 1.622 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1593625458 ZCQZWMSYPHIVSL-CVEARBPZSA-N 444.540 1.608 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1594680083 NBDBCAPDNMDBRA-ZWKOTPCHSA-N 440.614 1.403 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1594732266 BCEJWTYPCHVNFA-IBGZPJMESA-N 437.610 1.695 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)[C@H]1CC 1595475831 GQNIFYMOPMJEEI-GOEBONIOSA-N 430.484 1.574 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1596593567 WBRCZUSUQJCJRV-KRWDZBQOSA-N 438.546 1.158 30 10 IDEE CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1597839511 ABOYFRQIDMWOBU-QGZVFWFLSA-N 429.546 1.992 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1598063300 SJUDHERTTRLZPO-RTBURBONSA-N 435.532 1.694 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1610418432 XXIVNUOAUUEMTA-VOQZNFBZSA-N 433.553 1.989 30 10 IDEE CCCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1614585148 UNVAYPIREPXRMQ-MSOLQXFVSA-N 440.552 1.975 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)CC2)cc1 1622469514 GMNUDMCFJAFXQT-UHFFFAOYSA-N 440.525 1.727 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)s1 1626674521 XMRJVLUMGVJZNL-SFHVURJKSA-N 445.632 1.079 30 10 IDEE N#Cc1cn(CCNC(=O)COc2ccc(Cl)cc2Br)c(=O)nc1O 1630030279 APIPTIXEMZNATO-UHFFFAOYSA-N 427.642 1.432 30 10 IDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1632532895 KBHKQTYASPQVHW-KKUMJFAQSA-N 426.514 1.791 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CCO2)c1 1638975535 WVXKPWPZHHBMSK-FQEVSTJZSA-N 428.514 1.921 30 10 IDEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1642252046 QSANLDAMWQGPBB-QGZVFWFLSA-N 448.589 1.607 30 10 IDEE CC(C)c1ccc(CN2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)cc1 1644636715 KRQWZSFZBOIIKB-GMAHTHKFSA-N 444.601 1.324 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)s1 1644919823 APLIILINELMHBE-QCUYGVNKSA-N 428.576 1.844 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 1647922983 JSJCKOSBZIEICO-UHFFFAOYSA-N 447.543 1.880 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 1647977568 HEPOKKXWAVARGL-IBGZPJMESA-N 432.488 1.310 30 10 IDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1648849178 GRGQOHUPSVYQKW-BFUOFWGJSA-N 443.481 1.057 30 10 IDEE CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1651183235 LMMRVOCGLDRSHG-UHFFFAOYSA-N 448.545 1.885 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 1660940442 PLQWGCMEKDCMQA-NSHDSACASA-N 427.953 1.107 30 10 IDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1666933726 OXEDJFVZZSDMDC-CQSZACIVSA-N 429.926 1.911 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(CCc3cnccn3)CC2)C1 1681435671 YAFUBASGEMEOKS-WMZOPIPTSA-N 429.525 1.105 30 10 IDEE CN(CCNC(=O)N1CCC2(CC1)CC(=O)C=CO2)S(=O)(=O)c1ccc(F)cc1 1681847517 FWUNRFKMSHVCHD-UHFFFAOYSA-N 425.482 1.494 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 1687164240 MFLKYHHCJYSKQY-UHFFFAOYSA-N 431.493 1.813 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1689931638 DKCMVZFHYYGTMA-OAHLLOKOSA-N 427.596 1.356 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1689965671 AQJYMPJZMSJSFN-INIZCTEOSA-N 448.568 1.818 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1689966309 OWWHGNJLNSYHLV-UONOGXRCSA-N 429.493 1.116 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689982510 PBSIKROIXRXUEE-YXJHDRRASA-N 448.570 1.556 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689993843 MLECZFWUKVRWHG-SJLPKXTDSA-N 449.602 1.687 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690067733 IMWVPEUNQHREDV-MRXNPFEDSA-N 447.561 1.703 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1690156186 TZGWWFULBVXUGC-HNNXBMFYSA-N 428.628 1.222 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1690189846 DMFVKNARCBJSRZ-MAUKXSAKSA-N 441.623 1.793 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1690622342 NFQJGGNNZKMNRA-UZLBHIALSA-N 426.583 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1690721085 WXIWAYGGAFAUOL-UHFFFAOYSA-N 435.525 1.647 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)N(C)C)c2ccccc2c1=O 1695899380 CQVXNXTVXZXUOU-HNNXBMFYSA-N 436.520 1.892 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1696051515 DWKMJGJPEDBGFB-RTWAWAEBSA-N 436.532 1.483 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1697785469 HWOPNCVVZMJJGA-MRXNPFEDSA-N 428.468 1.524 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2c[nH]nc2C)CC1=O 1698087548 GAWVYSIQXGIJOF-UHFFFAOYSA-N 448.531 1.776 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1705492825 XQPVMMXEYWROJC-YSIASYRMSA-N 439.564 1.962 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705559573 CWQOAPZRGQFTST-CVEARBPZSA-N 442.607 1.386 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705609814 RQGWCPUTCIGQHA-INIZCTEOSA-N 445.545 1.457 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2Cc2cnnn2C)n1 1705631765 PMLDJSCJDUGUNC-UHFFFAOYSA-N 425.541 1.526 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(CCC)C2)CC1 1705643948 WGEMFFRSPYZFOB-ACRUOGEOSA-N 430.597 1.489 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)C(=O)C1 1705825596 XPZWLYZGESUIQN-UHFFFAOYSA-N 425.493 1.329 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1705858169 QTORKNBIJYIQKH-UHFFFAOYSA-N 436.520 1.779 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705896444 MYLIQPPWPHRFRY-TZIWHRDSSA-N 449.559 1.666 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705898469 MOYHSYIHCOCGPI-HIFRSBDPSA-N 429.912 1.258 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)NC)C1 1705922190 HXXLJBNYQPYYKK-OAHLLOKOSA-N 430.534 1.757 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(C(=O)OC)CC2)C1 1705922517 NYWWCLUNCVMTCF-KRWDZBQOSA-N 427.509 1.995 30 10 IDEE CC(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1706060527 WEFVRXAWQBTEKR-UHFFFAOYSA-N 425.541 1.312 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722353044 RNQJOMTZGJXCII-CABCVRRESA-N 425.555 1.505 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1722362579 UZMZGZMRLUWCBN-CQSZACIVSA-N 429.506 1.088 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(N(C)C)CCOCC2)CC1 1722434449 PTMJHRCOOKKETC-UHFFFAOYSA-N 443.983 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccsc2)CC1 1722440847 LRGGQMGDBGZGPP-JLMWRMLUSA-N 445.589 1.727 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1722441911 ONCADTHGWPNNOK-LJQANCHMSA-N 442.539 1.472 30 10 IDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1722457870 QFJSPFBANWYREJ-MRXNPFEDSA-N 449.540 1.770 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cncn2)C1 1722464582 KUGQJIKZMIAARC-KSZLIROESA-N 431.566 1.802 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722467694 BOLWANDRDLKJBE-FUHIMQAGSA-N 439.582 1.276 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722527396 IEAMLEFZBPYVNU-KRWDZBQOSA-N 431.541 1.147 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722693295 JJZURZDOBMRJKB-AOMKIAJQSA-N 427.505 1.640 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722754325 FXOJALHFYYTOSP-XOMICKMZSA-N 441.536 1.377 30 10 IDEE CC(=O)N1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1722770861 ZQFWLDFRTPCSIY-JOCHJYFZSA-N 442.520 1.890 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1728263835 SIQCVGONBHWPFX-GOSISDBHSA-N 438.536 1.591 30 10 IDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1728495301 ANGAIJYEPUTVAV-YJBOKZPZSA-N 428.534 1.286 30 10 IDEE CCOC[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1729100960 OSUNFGHQOJJNJN-JKSUJKDBSA-N 433.534 1.946 30 10 IDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740627608 RICJGKXCYALGPZ-LPHOPBHVSA-N 446.529 1.454 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCN(CC)CC1 1740633447 IMYOENGSCNCKNF-UHFFFAOYSA-N 435.532 1.954 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC[C@@H]2C)CC1 1740702144 WUYMHGULBLYEKW-KRWDZBQOSA-N 440.548 1.533 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCSC2)CC1 1740707046 MQXICLBMYOFRAD-QFIPXVFZSA-N 440.573 1.098 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCN1CCOCC1 1740720896 QOYQSFPJMHEPRU-UHFFFAOYSA-N 439.589 1.651 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(OCC)CCOC1 1740766174 GKERUUHXUOHUSA-ZBHHGKBUSA-N 436.553 1.761 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1740956547 MOECCWVEZZIUIC-CQSZACIVSA-N 446.939 1.872 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740960756 ZSEBPLAXDGVALY-IBGZPJMESA-N 444.580 1.703 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1740975684 DNYKZXOMVGJYJS-MOPGFXCFSA-N 427.553 1.873 30 10 IDEE CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1743190893 FDOBGHWTWXLEGN-YLJYHZDGSA-N 437.614 1.750 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746459261 CHWKTIXBLZAMJR-KNQAVFIVSA-N 448.575 1.819 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC)cc2F)CCOC1 1746733455 HSKZANLCBYJDBG-DYESRHJHSA-N 431.468 1.855 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1748647252 LMNAQCDBSCXWSX-AOMKIAJQSA-N 439.541 1.809 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1748716195 VYLGSDKZQZOWQB-OWCLPIDISA-N 430.596 1.242 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1748830427 VXWPGLROWNXKBZ-QHCPKHFHSA-N 429.565 1.502 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)(C)C)CC1 1748986861 JXCSPHFPTSRQRJ-UHFFFAOYSA-N 441.536 1.066 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749729791 SBOZEEKROKFMMZ-RDJZCZTQSA-N 430.534 1.188 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749738612 RWIKOJJATPNDQM-UHFFFAOYSA-N 447.536 1.824 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(-c4cnccn4)n3CCCOC(F)F)CC2)c1 1750384732 MENGBJBNBARRRY-UHFFFAOYSA-N 441.446 1.958 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1750386315 JDPXTKZCVGZBBR-MOPGFXCFSA-N 440.504 1.774 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccnc1C 1760111642 QAQKLNCEMJTWBB-OAHLLOKOSA-N 428.500 1.991 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1760183878 UVDTVJMDNSSKAM-GOSISDBHSA-N 426.546 1.919 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1760250313 YMTNDDQGXLTIDK-INIZCTEOSA-N 437.541 1.443 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1760260994 FWMPESLXKZRANJ-JOCHJYFZSA-N 432.638 1.440 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760400954 USZTWWLNNUWOMY-HZPDHXFCSA-N 442.486 1.895 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1760519651 KVCGDUYRSBMPBA-INIZCTEOSA-N 433.516 1.887 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760548849 RDLOIKHGNAEBAT-MSOLQXFVSA-N 425.599 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)CC(=O)NC(C)(C)C 1760556427 DBVMLJGFQUKFEW-UHFFFAOYSA-N 434.566 1.216 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3)C2)n1Cc1ccc(C#N)o1 1761493765 IWRJMACNSJRANE-HZPDHXFCSA-N 447.565 1.466 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1766578504 UTABWYPOTYVSCU-UHFFFAOYSA-N 437.508 1.775 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCO[C@@H](C)C1 1770045019 WFYKTZUVJLTXKG-JRBPQWBISA-N 432.569 1.994 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)Nc1ccccc1 1770050016 HSRFNMYHYKFRSA-AEFFLSMTSA-N 428.493 1.760 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1770326487 YZYPWDIXDQSRJK-PKOBYXMFSA-N 445.545 1.779 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1=CCCOC1 1771195900 UIDZZXSHMICHRV-OAHLLOKOSA-N 440.504 1.884 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1771263799 ZBKUUJFFCBXZEV-SESVDKBCSA-N 441.532 1.846 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)N3CCO[C@H](C#N)C3)c2C)C1 1848513927 IZBWFPQRSDLRKR-HUUCEWRRSA-N 427.427 1.833 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cnc21 1851614747 OEAWDRLRARNFDB-HXUWFJFHSA-N 431.452 1.569 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cnc4c(c3)c(C#N)cn4C)cc2)CC1 1852680994 GWJNYFMNYNLLFV-UHFFFAOYSA-N 438.513 1.633 30 10 IDEE CC(=O)N1[C@@H](C(=O)N2C[C@H](C#N)CC2=O)CSC12CCN(Cc1ccccc1)CC2 1852953779 DMFPIGQNYGLKIF-RBUKOAKNSA-N 426.542 1.841 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN([C@H](C)CCC#N)CC2=O)c1 1856438635 GDDOKKVDWXYORH-MJGOQNOKSA-N 432.546 1.511 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)C3CC4(C3)CC(F)(F)C4)C(=O)O2)CC1 1856596060 CKLVCMKWWOYXOQ-AWEZNQCLSA-N 431.461 1.725 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1=O 1856791712 HMYUXADZGYLXHQ-HOCLYGCPSA-N 428.894 1.363 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)nc1C 1866239124 DVHPGSKZWGOZRC-NSHDSACASA-N 426.495 1.892 30 10 IDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1F 1870106641 CZUUDDNVHIESRA-LBPRGKRZSA-N 448.414 1.969 30 10 IDEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1873710955 AOEJFVUWHOFPRO-CQSZACIVSA-N 442.541 1.869 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cn(C)c3ccccc23)CC1=O 1874338466 RJYJSOURLSMEQH-CCYVPWSASA-N 439.545 1.954 30 10 IDEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1887470569 DFONCBDKVFHODM-PXAZEXFGSA-N 441.465 1.894 30 10 IDEE CC(=O)Nc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1C 1889485943 DPIUTCMDEKNSNZ-UHFFFAOYSA-N 426.561 1.825 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NC2CN(C3CCOCC3)C2)[C@H]1c1ccc(C#N)cc1 1891916838 UFUHJEGGRUTGLQ-FGZHOGPDSA-N 442.585 1.931 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOCCN1C(=O)OC(C)(C)C 2255694257 MQFKDTPCXDTNJO-UHFFFAOYSA-N 435.330 1.949 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001592 MZFAVLUJCHKQRS-LSDHHAIUSA-N 446.357 1.862 30 10 IDEE C=CC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nn(C)c2C)CN(C(=O)OC(C)(C)C)C1 2267133825 HMVCBLQREYUDCA-UHFFFAOYSA-N 446.357 1.933 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H]2COC[C@@H]21 2267553297 YJSDZCAHKLYJIH-IRXDYDNUSA-N 447.341 1.774 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267586888 QCSTWFCNEMBCOA-GOEBONIOSA-N 447.341 1.338 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2267875631 HSNQBTCHVKKURB-QZTJIDSGSA-N 439.321 1.880 30 10 IDEE CCON(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267879916 MYZREURECRNDJS-UHFFFAOYSA-N 448.329 1.789 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1cc(F)cc(C#N)c1)NC(=O)OCc1ccccc1 2286033069 OIHYXGAYCDILGS-QGZVFWFLSA-N 435.433 1.907 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2301724267 BKHQXVVVSDVPFW-LBPRGKRZSA-N 441.359 1.712 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315614746 XGYFWGGWNFVVBQ-UHFFFAOYSA-N 434.346 1.920 30 10 IDEE CCC/N=C(\O)Cn1cnc2sc(C(=O)NCCCN3CCOCC3)c(C)c2c1=O 15879102 PTONMXOBAZZOAZ-UHFFFAOYSA-N 435.550 1.585 30 10 IDEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)ccc1O 21326419 ORAIIENUOPDASQ-UFFVCSGVSA-N 428.478 1.668 30 10 IDEE CCOC(=O)CN[C@@H](C(=O)N1CC[C@@H]1C(=O)NCc1ccc(C#N)cc1)C1CCCCC1 59980138 OBOJZPLHHDGCCL-IFMALSPDSA-N 440.544 1.877 30 10 IDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 219944055 ZYOVOMFKVHSGGN-KRWDZBQOSA-N 441.513 1.816 30 10 IDEE CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)[nH]2)cn1 253560454 AVBPFKAVNWKCKT-UFWORHAWSA-N 428.478 1.985 30 10 IDEE CCN(CCC#N)S(=O)(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 409497502 CEIXUEMEIQRRMK-KRWDZBQOSA-N 428.942 1.652 30 10 IDEE COCCN(CCC#N)S(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 410146835 CWUXGHCDUXUNAC-UHFFFAOYSA-N 443.327 1.431 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 460559125 YXDKBTQBDDVCTM-RDJZCZTQSA-N 425.555 1.192 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cn2)CC1 462105060 SOMFYOKCFMYDKH-UHFFFAOYSA-N 431.504 1.998 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(F)ccc2I)CC1 492289132 BKXPSSHHQLJHGY-UHFFFAOYSA-N 431.249 1.490 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2OC)CC1 508906995 KCFSJKSZMAYRIS-IBGZPJMESA-N 442.520 1.321 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C 541076398 JHFJDCSPWHFFTB-UHFFFAOYSA-N 427.463 1.811 30 10 IDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 549288584 XWZNFLRIOPWUGX-IAGOWNOFSA-N 431.541 1.976 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 549544772 QFDPOISLYASXBK-FQEVSTJZSA-N 432.484 1.728 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 549653973 GQPUWXZLJKJPDH-YOEHRIQHSA-N 436.586 1.589 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588216097 OLJOTCDRPJRUQX-OAHLLOKOSA-N 436.538 1.069 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(F)cc1 603786803 OQYXPGJHTPYACL-UHFFFAOYSA-N 441.509 1.461 30 10 IDEE N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 603847234 KEYMVOKJRGCNEH-UHFFFAOYSA-N 439.900 1.598 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(-c4n[nH]c(C5CC5)n4)c3)CC2)nc1 609942163 ILMGMSAIHWZVFU-UHFFFAOYSA-N 442.483 1.903 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3nn(C)cc32)cc1 670241299 UNFRYUCARTZZKH-QGZVFWFLSA-N 431.518 1.359 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn3ccccc23)c1=O 729669861 CVNGYVOJCDHYDP-UHFFFAOYSA-N 431.477 1.156 30 10 IDEE CCc1nc(CN2CCC(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cs1 732465585 HDJUDBFQXHNALK-FMQUCBEESA-N 446.577 1.743 30 10 IDEE N#C[C@@H]1CN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 732626292 WJGHZCAUARNBDL-QGZVFWFLSA-N 435.575 1.076 30 10 IDEE COC(=O)[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 740186273 ZIYHRGYTYSDHAZ-LJQANCHMSA-N 444.465 1.650 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 767678098 CCTSYNKDMQDFJO-DFLMZXFUSA-N 445.541 1.853 30 10 IDEE COC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(O)c1 775795547 GCYDQLDPQJFZEY-SFHVURJKSA-N 431.470 1.241 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)n1 788814838 IECUXDQMNKLQSI-UXHICEINSA-N 444.532 1.473 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cncc3ccccc23)c1=O 794644563 FHUHLJNISJCDNB-KRWDZBQOSA-N 429.501 1.590 30 10 IDEE CC(C)[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 799128013 GFYTWEDPZJOQIZ-OAQYLSRUSA-N 445.545 1.179 30 10 IDEE C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC(=O)N1C 800528705 QQFCVPGWUTXFEV-YUCJCZDXSA-N 435.550 1.974 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N2CCN(C(=O)CC#N)CC2)=NN1c1ccccc1 807922741 KBFIDADOBGEVFN-SFHVURJKSA-N 425.489 1.547 30 10 IDEE CCOC(=O)c1sc(S(=O)(=O)NC(=O)CC2(C#N)CC2)c(C(=O)OCC)c1C 815894211 PMSOCLPZRVRERB-UHFFFAOYSA-N 428.488 1.909 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)c3cc(C#N)ccn3)c2)CC1 1128192281 FLCFTIRZNYJSRQ-UHFFFAOYSA-N 427.486 1.083 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2=O)cc1Cl 1135283617 HLDXPSMPSIGXJV-LLVKDONJSA-N 438.918 1.590 30 10 IDEE Cc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1136524428 CJGNZAGFUZOUTB-FQEVSTJZSA-N 441.381 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1136658640 DWBTXBKQPGRQCJ-SFHVURJKSA-N 435.569 1.730 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1144428811 CBNKMGGFKHZNMQ-ZPHPHTNESA-N 444.289 1.400 30 10 IDEE CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1151724685 CRDZUPKLTYTNQI-ZDUSSCGKSA-N 427.244 1.026 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1156670744 XWSVDQDJIBRPMX-JXFKEZNVSA-N 445.522 1.498 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1161848682 IMQYVZRKMYPTHJ-QGZVFWFLSA-N 443.529 1.733 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nc[nH]c2C12CCOCC2 1163330298 WPHCQIOUBNJJOB-CQSZACIVSA-N 429.502 1.039 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)cc2C1=O 1164239140 HCCBVYRUCARHSZ-INIZCTEOSA-N 430.457 1.862 30 10 IDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCNS(=O)(=O)N(C)C 1251278226 UFLJTOGWTIMLRV-UHFFFAOYSA-N 437.335 1.682 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1286376199 HOJZYEGZYFNMOB-CQSZACIVSA-N 443.451 1.634 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1286426473 WMBYZAYBZJGFBX-UHFFFAOYSA-N 438.532 1.580 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1cnc2c(Cl)cnn2c1 1286462760 VHOUPRNJJMYENB-UHFFFAOYSA-N 437.895 1.760 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCOC)cc2)CC1 1286485268 HJYKHIKRZIWHAI-OAQYLSRUSA-N 425.533 1.958 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286818909 SIHADRMPKJQCFK-QGZVFWFLSA-N 443.577 1.687 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1286823535 NVVOIYININQKBO-XHSDSOJGSA-N 429.612 1.670 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286969303 OWHZURMWVAUJKT-YOEHRIQHSA-N 440.533 1.609 30 10 IDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1287463736 LUUPDZYTKCYCPT-IBGZPJMESA-N 429.498 1.527 30 10 IDEE CC(C)CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1287854066 WJERPFAACDOCRW-HZPDHXFCSA-N 427.596 1.688 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)N2CCOCC2)CCOC1 1288282871 WDSNEPIADKGYEF-LAUBAEHRSA-N 434.541 1.306 30 10 IDEE C[C@@H]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1291055395 GBNDJMXXWLJFKT-NXHRZFHOSA-N 436.582 1.787 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 1291814570 OHGNQALPLXWIGA-HYBUGGRVSA-N 435.480 1.885 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1297998313 GUOHNESEZCYEGC-QFIPXVFZSA-N 434.504 1.390 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1298583998 GQPAEMLTTFUJDV-HZMBPMFUSA-N 425.359 1.504 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1299049958 CRIIPIGUMIUHAH-IIBYNOLFSA-N 425.468 1.273 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1OC 1300077297 OARHHADVBAHJTN-MSOLQXFVSA-N 443.504 1.887 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCCS1(=O)=O 1300324965 PONXCFYDBISLMZ-INIZCTEOSA-N 433.534 1.359 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1300498309 IWUFGYLSDCFHQP-GOSISDBHSA-N 431.562 1.706 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300503005 ZPQOZUGUSZAPSY-MSOLQXFVSA-N 431.562 1.753 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1300556084 BPOCNKLDZNVPHR-MRXNPFEDSA-N 430.534 1.193 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1300586951 NBNXCWMQYFKOFU-LJQANCHMSA-N 443.548 1.895 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCC(C)CC2)CC1 1300710785 LHHJBOAXBDJGBF-FKBYEOEOSA-N 444.624 1.878 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301049347 UDDMTRZGDMTBFB-KRWDZBQOSA-N 436.513 1.273 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCN(CC)CC1 1301305028 NPBXMALVKMCBKW-KRWDZBQOSA-N 431.610 1.918 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC)CC2)cc1 1301527173 WGVZUVOJYFMXJU-SFHVURJKSA-N 440.504 1.731 30 10 IDEE CC(C)OCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1303546006 IFRYZYSUGKVMCB-QGZVFWFLSA-N 433.534 1.892 30 10 IDEE Cc1cc(C)n(-c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CCO[C@H](C#N)C3)cn2)n1 1304731231 HNHWSYZZXZMCFM-GOSISDBHSA-N 449.519 1.391 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 1305141750 DHQDDJUQKIYWAZ-JFIYKMOQSA-N 444.561 1.712 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1 1314517144 LSIFYYMKIAGWQO-INIZCTEOSA-N 445.549 1.912 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C[C@H]1C 1316129829 RVMSCWPAZSSGJN-WIYYLYMNSA-N 440.548 1.779 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1316140703 PGSLSFHWCBKYRU-HXUWFJFHSA-N 440.548 1.924 30 10 IDEE CC(C)N1CC[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)[C@H](c2cnn(C)c2)C1 1349466051 ZMXNGODIBXMWFH-AEFFLSMTSA-N 426.525 1.304 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358878008 OKNQJUSJDOKTAO-IVZQSRNASA-N 441.557 1.817 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1358881281 BZYZBUCLRKLKNW-IAGOWNOFSA-N 439.516 1.669 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1358897990 KIEJYOGNITZPPG-INIZCTEOSA-N 433.534 1.359 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358961318 WISUHFJKMVEJMH-AOIWGVFYSA-N 433.578 1.971 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1359203662 STPYKWIFLNGPSR-SFHVURJKSA-N 434.566 1.999 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359302727 RKEYOZMIVNPKDC-KRWDZBQOSA-N 441.536 1.670 30 10 IDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)c(=O)n1C 1361271845 DCOURCRABCYHKR-QHCPKHFHSA-N 431.500 1.574 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(CC#N)n1 1438840249 KKTBYCAGFUAAPQ-UHFFFAOYSA-N 443.529 1.735 30 10 IDEE CN1CC[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H]1c1ccc(Cl)c(F)c1 1447099764 DTYUGOCCECQHRT-UGSOOPFHSA-N 433.871 1.812 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 1452969714 WKQHJNRTVQSCCR-JEDBISTDSA-N 433.530 1.805 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2)CC1 1457203247 UHPQKYLWJFEDSJ-UHFFFAOYSA-N 443.504 1.631 30 10 IDEE C=CCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1464916804 KHDIEPFGRMPPBH-NJAFHUGGSA-N 441.594 1.423 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)c1 1466077288 SGJHGPBOVUQKHK-UHFFFAOYSA-N 449.506 1.926 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3COCc4ccccc43)CC2)cc1 1470566493 DXOOHZPNWFNMHD-HXUWFJFHSA-N 426.498 1.846 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C1 1478404673 UAYWEYBTIRECAP-WDEREUQCSA-N 428.433 1.022 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1478900362 BROCEAYRKJQYAQ-FQEVSTJZSA-N 433.578 1.636 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC[C@@H]1COCCO1 1494137685 UGJZUDUXHGYJNI-IAGOWNOFSA-N 440.552 1.758 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(C1)OCCO2 1504883793 DQYCBKWYGHVZPT-KRWDZBQOSA-N 432.525 1.424 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCOC1 1504977344 ZFJPSUZDIBNOKL-GJZGRUSLSA-N 428.493 1.574 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1507616570 KWSBCNKRUGBGGW-ZFWWWQNUSA-N 438.579 1.249 30 10 IDEE C=C(C)COCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507848992 QZABDQJFDFRLBU-JOCHJYFZSA-N 435.569 1.970 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507944280 QOKYGSIQZRMDGN-QFBILLFUSA-N 426.587 1.156 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCOC(C)(C)C1 1508132432 YMCBGTFFXMUKSG-UHFFFAOYSA-N 427.571 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCNC(=O)CC1 1508147548 ALZHPLGOOSQESF-NVXWUHKLSA-N 439.582 1.124 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1508399209 BSFZEPBAXFWGRI-HXUWFJFHSA-N 437.548 1.897 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1508405318 FAWKVRBRARFXDF-OAHLLOKOSA-N 431.541 1.977 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1516160378 CEUJHUUGELFNQJ-QHCPKHFHSA-N 445.612 1.696 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(C)CCOCC1 1517328956 CSRSXZKIIRYQKO-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE N#Cc1ccc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)o1 1521095541 LYPIFUNFKKAGSK-UHFFFAOYSA-N 439.863 1.311 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)COC)c1 1539037686 IFFIWDKGKGFRCG-MRXNPFEDSA-N 426.521 1.755 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539215583 GBWUFYYITUJVIU-ZDUSSCGKSA-N 431.547 1.362 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(C(C)C)n2)CC1 1539446158 SHAGAEAYLJJCOR-KRWDZBQOSA-N 427.578 1.807 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1539451799 AASBXIPVWNWQAT-QFIPXVFZSA-N 428.487 1.381 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1539650265 MSSVNTMFWSDMQW-AWEZNQCLSA-N 435.554 1.692 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1539743933 AKGDYGSJNUCORR-OAHLLOKOSA-N 430.475 1.896 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540905068 RLSGHLKHHUMOEF-OAQYLSRUSA-N 449.552 1.571 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540907802 IXDJDEMZMFIWHJ-QZTJIDSGSA-N 434.610 1.590 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1541115607 BSAJBAQTPPZJQU-HOTGVXAUSA-N 446.581 1.337 30 10 IDEE C[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1544132603 MKEXVXUYMFOZBQ-YJBOKZPZSA-N 448.549 1.750 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1555191420 GWGWOXLZJMOZKE-ZWKOTPCHSA-N 431.518 1.103 30 10 IDEE C=CCOC[C@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)C(=O)OC 1556375590 NJGGRMAXPZQXMX-AWEZNQCLSA-N 431.258 1.569 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCc4c3ccc(F)c4Br)C2)c(=O)nc1O 1564753190 ODFYDXOIXKDEAQ-CQSZACIVSA-N 448.252 1.976 30 10 IDEE C#CCN(CC(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1)C(=O)OC(C)(C)C 1565723767 ODTUAJCYZKXPNS-UHFFFAOYSA-N 434.581 1.650 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1583888976 MUECKZLTNOECCV-MRXNPFEDSA-N 433.486 1.680 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1 1585242636 NBUDMOAPLOKVSJ-UHFFFAOYSA-N 444.561 1.150 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1587662396 NGACRRVXDKQYSF-IEBWSBKVSA-N 440.548 1.833 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1588039699 CIEPGBMRMOHKII-AWEZNQCLSA-N 428.461 1.755 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1588639104 ZTZBGDHIEHYOQJ-WJOKGBTCSA-N 440.529 1.591 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)N2CCOCC2)CC1 1588923489 BACGSCIOCCIWEO-UHFFFAOYSA-N 428.581 1.622 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)nn1 1606663393 NOBWEUKONXDWAY-FAGJFJLWSA-N 428.493 1.651 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1613311804 URDMSVPUCPFMJS-KUOYXJDGSA-N 429.525 1.375 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)CC1 1618828987 BWTMFVLQKAMZLD-OAQYLSRUSA-N 427.509 1.066 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C)nc1 1620020143 VKFHFQHCSNDZDH-XLIONFOSSA-N 425.537 1.930 30 10 IDEE C#CC[C@H](COC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1623659020 IOJNGYBTFZVXHL-IJEWVQPXSA-N 428.938 1.906 30 10 IDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(C(N)=O)c1 1624953164 CDZPDJONAUHXLG-UHFFFAOYSA-N 427.486 1.504 30 10 IDEE COCC#CC(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1629365228 PTPOWCWJLWEPGR-FOWTUZBSSA-N 434.470 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CO2)C1 1632641947 SPHHFIFXRWWASK-KRWDZBQOSA-N 449.529 1.368 30 10 IDEE COCC(=O)N1CCc2c(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cccc21 1633678948 PHWMQWZSTYSHTN-UHFFFAOYSA-N 431.445 1.911 30 10 IDEE C=CCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1635698151 IZYYFVUONCUHND-INIZCTEOSA-N 428.482 1.474 30 10 IDEE C=CCC[C@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1636468842 CYWFHQQCDHQOCP-VFNWGFHPSA-N 428.526 1.778 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1c(F)cccc1F 1638445808 OEMYFIUUCUPEHT-UHFFFAOYSA-N 425.413 1.779 30 10 IDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1639839962 HLYDDIHHXXXVOH-SFHVURJKSA-N 436.530 1.155 30 10 IDEE COC(=O)c1ccc2c(c1)N(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1640504827 VZLATPLNNTYNBT-UHFFFAOYSA-N 427.482 1.881 30 10 IDEE N#Cc1cccc([C@@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C(F)(F)F)c1 1643304173 DVZXRGHFQMMDHE-IEBWSBKVSA-N 438.450 1.991 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)CC1 1644285604 SCFBOFSUWYYOKC-UHFFFAOYSA-N 435.452 1.983 30 10 IDEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1645267311 CGTOZPDCJZSEFD-QKLQHJQFSA-N 435.571 1.243 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040947 MJURJZZGPRBBBD-HNNXBMFYSA-N 447.488 1.917 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(Br)c(Br)[nH]3)C[C@H]1CS(=O)(=O)C2 1652521316 OIEUUMIFCHWXPG-MADCSZMMSA-N 437.113 1.550 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)C1=O 1653958096 BBFDYBAHBWVBMU-IVZQSRNASA-N 448.520 1.507 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC3CCOCC3)cc2)CC1 1659335042 CCFCDXFYTIKJGR-UHFFFAOYSA-N 436.534 1.109 30 10 IDEE C=CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1678808535 XUTBAOVLJRAYTL-VXGBXAGGSA-N 429.461 1.827 30 10 IDEE C#CCOc1ccccc1CNC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1684570283 MLPCFZSWQUWMOV-UHFFFAOYSA-N 448.467 1.359 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1689856325 OHOVVNWEAXSSKD-INIZCTEOSA-N 434.591 1.100 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1689910503 IAXZDORVFJWJOM-UHFFFAOYSA-N 428.924 1.943 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1689990514 PLGAOHZJMUQONF-HOTGVXAUSA-N 442.607 1.243 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1690122116 GXOGENILMXZKGZ-GCJKJVERSA-N 426.496 1.031 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CCO1 1690957457 HFGYCPJZRRXEQU-NQIIRXRSSA-N 442.545 1.026 30 10 IDEE CC[C@@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694162149 WADQTJOSXOXNQT-AURUSVBOSA-N 441.536 1.375 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(N2CCOCC2)CC1 1705626503 YNEWCHACQKQUAS-UHFFFAOYSA-N 425.533 1.905 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705708652 FPARXNXTGXYARS-NEWSRXKRSA-N 446.552 1.562 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705894784 LDTSTMFWYYYCLM-UHFFFAOYSA-N 428.541 1.609 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705904987 FDSHOKPOKGTFIF-YLJYHZDGSA-N 442.539 1.467 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Oc2ccccn2)C1 1705906085 RODRMWSHEDTMMV-KRWDZBQOSA-N 439.545 1.989 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1706075775 SIOHDJCPUGBCGB-MJGOQNOKSA-N 440.552 1.853 30 10 IDEE CN(C)CCCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1711013276 XQDAYZHZPOZFIR-FPOVZHCZSA-N 440.548 1.890 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1712709785 WBTCBYDQADPMDH-UHFFFAOYSA-N 441.517 1.619 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1722291270 DLEHINUWDYVSAT-HNNXBMFYSA-N 435.532 1.955 30 10 IDEE C#CCCCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1722340559 CDJPHKAPPMCJKG-JOCHJYFZSA-N 443.552 1.747 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC1CCCCC1 1722349839 DDIWSJOPALGFJL-UHFFFAOYSA-N 433.516 1.710 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1722382046 DKQGIPFBQACAIW-WZONZLPQSA-N 435.532 1.065 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(=O)OC)CC1 1722407617 PAOOCRDZIDGPFI-UHFFFAOYSA-N 449.519 1.859 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)N(C)C)CC1 1722430721 IQZWOTPSNXMENV-QGZVFWFLSA-N 428.512 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)Br)CC1 1722447745 MZQZQGLOMIPMTE-ZDUSSCGKSA-N 446.296 1.736 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1722507479 PIZJYJKXUFAFCH-FPOVZHCZSA-N 439.564 1.579 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCC2)C1 1722602709 BIMBMEZFMCFLID-QGZVFWFLSA-N 439.582 1.727 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1722697684 PNDPCNQELQTSHN-UHFFFAOYSA-N 433.472 1.816 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@@](=O)C(C)(C)C)C1 1722710229 FSICHYSUYKAJIX-XFNCPJSQSA-N 447.627 1.217 30 10 IDEE C=CCSCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1722738955 CTLLSOYXHQKFPF-OAQYLSRUSA-N 445.593 1.966 30 10 IDEE CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)NC)c2ccccc2c1=O 1728162873 AGVNALGMTSWSRW-HNNXBMFYSA-N 436.520 1.939 30 10 IDEE COCCOCCn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730927263 RBHWASOKECLRQX-UHFFFAOYSA-N 435.488 1.847 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC1CC1 1740541856 JBXPZWLOXGQPDA-HNNXBMFYSA-N 440.533 1.204 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1740589906 CHMRCWSLUYJVMM-ZDUSSCGKSA-N 427.481 1.087 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1740637396 AMJMINRNGPNSMC-KRWDZBQOSA-N 447.586 1.593 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1740679585 DIQOQYRPKLTVSG-UGKGYDQZSA-N 433.553 1.275 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)CC1 1740696600 YQSZGXSNJGAXMT-INIZCTEOSA-N 435.500 1.262 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC2CC2)CC1 1740699427 GQTZMXILFNJIAV-UHFFFAOYSA-N 426.496 1.278 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC)CC1 1740705896 NTROAKRCAOKQGH-SFHVURJKSA-N 436.516 1.252 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1740744414 ARHJVQUDWGDYFP-GJZGRUSLSA-N 444.399 1.763 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1 1740762036 BHXCDFSTPSWTKM-UTKZUKDTSA-N 430.553 1.440 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1740764026 SZRPCYATTBNTTK-PGRDOPGGSA-N 444.580 1.686 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1740932709 UMPWKJAUKZSXMP-JKSUJKDBSA-N 427.596 1.543 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1740959585 AJHDNUMZOMURSH-GOSISDBHSA-N 440.548 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCOCC1 1740990401 TZHIGCYJEQEXJO-UHFFFAOYSA-N 434.566 1.018 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1745341872 NVEGJUWUZCBTMV-DPPKGPFUSA-N 437.504 1.872 30 10 IDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNS(=O)(=O)CC 1747247481 FHAQSBJIISMWST-SFHVURJKSA-N 448.549 1.203 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1748790620 JVXLXZOTIVYDSE-OALUTQOASA-N 447.561 1.458 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1748929215 GTXUVNQBBPUNST-QGZVFWFLSA-N 430.530 1.733 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCC(F)F 1748959031 LFNQIOJNMXIYPN-UHFFFAOYSA-N 430.459 1.904 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)C(=O)C1 1749119343 QIEDIWNLMBJKFW-HLIPFELVSA-N 433.553 1.794 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749456964 CDTWYEVQOYKLDQ-QKLQHJQFSA-N 440.566 1.157 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)[C@@H](C)CC)C1 1749712700 LAUSTGQGOAZBDT-TVKQPGBESA-N 426.583 1.759 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCOCC2)c1 1750191677 BPBNZEORXXSKMC-LJQANCHMSA-N 449.508 1.332 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCOCC1 1760244533 YMZAGSFYPCRJRR-UHFFFAOYSA-N 438.326 1.663 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1760247437 BCAMOZLIEOSKPR-UHFFFAOYSA-N 426.502 1.273 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC2(O)CCOCC2)CC1 1760261301 NMODFFNAPHRLCK-UHFFFAOYSA-N 439.560 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC)OC)CC1 1760271343 VJZADRSNBPJDFG-LJQANCHMSA-N 427.553 1.531 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1760688346 GHJVWGFRMPSAMO-NSHDSACASA-N 429.344 1.687 30 10 IDEE CC(C)(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760800645 OXQAWZRVRFAUQO-QGZVFWFLSA-N 438.536 1.638 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1760855127 BNDZZLDEUYDNIH-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1764552921 BDODGXHOQKYOEI-WMZOPIPTSA-N 445.545 1.583 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1766187032 IJFCKIPURZLKOJ-LJQANCHMSA-N 448.535 1.636 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c1 1769177230 HJGMOVZMMGTFJJ-WZONZLPQSA-N 435.532 1.962 30 10 IDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC(=O)NCc2ccco2)CCO1 1770751008 CCGVQEVKPFGOKD-IBGZPJMESA-N 436.472 1.538 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1770962069 ZKCNUMCNUZMBHJ-UXHICEINSA-N 443.504 1.386 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1772567240 QWKIWBOVJSPXMZ-MOPGFXCFSA-N 443.552 1.541 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1772567425 WZVKQIHHZQXYNS-NRFANRHFSA-N 429.525 1.052 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)ON1C(=O)c2ccccc2C1=O 1772789799 XWXOLPRAMGZLEL-INIZCTEOSA-N 433.461 1.796 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@]1(CC(=O)ON2C(=O)c3ccccc3C2=O)COCCO1 1772794470 MDAIUIJZWSBREV-OAQYLSRUSA-N 434.445 1.831 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1CCC#N 1855912057 NBMKLXLOJDXMIT-GOSISDBHSA-N 432.546 1.593 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3ccc(F)cc3F)C(=O)O2)CC1 1856653141 NFLKPJIUSXVRIK-MRXNPFEDSA-N 427.429 1.420 30 10 IDEE CCNC(=O)COc1cn(CCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870290567 LBCDHINKMGGTQN-UHFFFAOYSA-N 430.530 1.840 30 10 IDEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN(CCO)CCO 1870442447 VWSVEWNJQOSBOT-UHFFFAOYSA-N 439.516 1.040 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2CCCOC 1873558954 LVTSAMRCFOBNCP-UHFFFAOYSA-N 442.564 1.396 30 10 IDEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(COc2nccnc2C#N)CC1 1891459625 GUSGJFQIQCFMJQ-UHFFFAOYSA-N 430.486 1.692 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900452699 AULFIKHIGCIDJV-NSHDSACASA-N 427.332 1.058 30 10 IDEE C[C@H](C#CC(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902007834 URGTVYABBYUJHY-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010512650 CPJZQJOYUSZACZ-ZWKOTPCHSA-N 432.496 1.543 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2073248746 TUKJGIRUFROOMB-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE NCC#Cc1ccc(CCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 2178273865 UHIQLWJVLHIGLH-UHFFFAOYSA-N 425.510 1.145 30 10 IDEE C=C(CS(=O)(=O)Nc1n[nH]c(CNC(=O)OC(C)(C)C)n1)B1OC(C)(C)C(C)(C)O1 2247904487 ORLAEDRQAKIFGA-UHFFFAOYSA-N 443.335 1.759 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2247933163 WDYSJKSEHKGIPE-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248404118 INEQHDQOMHRHNG-LBPRGKRZSA-N 438.359 1.845 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255536065 DACCYKIQBYXVGQ-CABCVRRESA-N 436.314 1.597 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545396 POPRIYXDAQPONM-ZFWWWQNUSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626054 AJKQYCCJTANUAX-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255652322 SIFMEOIFJCBGDY-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255783459 MFNUJLPEIJDQBM-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE Cc1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267142867 AACWXQXVPFPEDF-SQWLQELKSA-N 446.357 1.765 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2267172634 CKLHTGYUKCEONR-GDBMZVCRSA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)(C(=O)O)C1 2267265418 FVSHIZZITPIFJV-UHFFFAOYSA-N 446.309 1.790 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502214 KLGCQQWUKLLDJA-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE CC1(C)OB(c2cncc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2267584491 HDZKCHRQTAEFBF-XMMPIXPASA-N 437.349 1.748 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267884221 NTLGUAKWMFQZFO-HSZRJFAPSA-N 438.337 1.143 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269085497 GPAKAMBMSZAJFN-QGZVFWFLSA-N 442.325 1.034 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303114816 OHPLQCNTYYGMOT-XQLPTFJDSA-N 426.319 1.022 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)n1C 2315522807 KIJOUVQSNQPQRF-UHFFFAOYSA-N 434.346 1.767 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CCO)COCc2ccccc2)n1 2320419205 LUQXAASXDRWOBU-KRWDZBQOSA-N 429.326 1.417 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2cc([N+](=O)[O-])c(OC)cc2OC)c1 2323374979 GYCRPLKJENDLNL-UHFFFAOYSA-N 425.419 1.942 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334270313 YDUWUPYIMBUPGH-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE C#CCOCCCCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2344205843 GLQOWUGICBLMRT-QGZVFWFLSA-N 426.491 1.106 30 10 IDEE N#C[C@@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@@H]1CCO2 2364288479 OEGYDTKAPZNABO-HRAATJIYSA-N 431.514 1.787 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccccc1Cl 72443773 QTGZPMPNWXVWKK-JSGCOSHPSA-N 426.864 1.349 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)o2)c1=O 440375057 CCUSHSMIYYDGPF-UHFFFAOYSA-N 446.488 1.034 30 10 IDEE CS(=O)(=O)NCc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)o1 440581391 SDKNHOQQJGOWAB-HNNXBMFYSA-N 434.499 1.354 30 10 IDEE CCCc1c(NC(=O)C(=O)NCc2nnc3ccccn23)cnn1-c1cccc(C#N)c1 443759296 YTYMGXAQTFSNCT-UHFFFAOYSA-N 428.456 1.994 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460930090 GUBYNNZNCLGIQH-UHFFFAOYSA-N 433.582 1.720 30 10 IDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 473562564 QYNQXXKVSZZOCZ-HXUWFJFHSA-N 437.562 1.861 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)nc1 474363618 QGGZWKNAQFTGQG-UHFFFAOYSA-N 440.569 1.064 30 10 IDEE COc1cnccc1N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 474661668 OEGCPDYVDOALNG-LJQANCHMSA-N 434.500 1.989 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cn2)C[C@@H](C)O1 499665945 DZFQSMSSIUCPBZ-HDICACEKSA-N 435.532 1.994 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 503134477 CSLLUQPXQZMNTK-QFIPXVFZSA-N 444.536 1.223 30 10 IDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 505408226 JNCWYVNSDYJUAH-INIZCTEOSA-N 435.532 1.531 30 10 IDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@@H]2C1 508826205 HSRAPKKPLWDKJG-KRWDZBQOSA-N 435.532 1.943 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)CC2)o1 526995165 XMADYQQHLCZOQU-MRXNPFEDSA-N 442.564 1.663 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2CN2CCOCC2)CC1 538266760 KKWFZLYCAJMAGU-PKTZIBPZSA-N 443.567 1.721 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1 558579069 ONUQHZYMDLRBPD-AWEZNQCLSA-N 446.451 1.144 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 561369625 HUBKMZNRIBPBIA-UHFFFAOYSA-N 429.569 1.417 30 10 IDEE COc1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 565806745 KSIRFZLSWWYGKY-UHFFFAOYSA-N 429.498 1.826 30 10 IDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c3=O)cc2s1 566773530 MZLWSGFCZJBWCB-UHFFFAOYSA-N 426.523 1.041 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccco3)n2C[C@H]2CCCCO2)CC1 571584823 OHIUZMRPSBQFHJ-HXUWFJFHSA-N 442.564 1.650 30 10 IDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)N2N1 588227057 KFFOODRUPGQLRY-SFHVURJKSA-N 437.437 1.386 30 10 IDEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 603798488 CTGZGLCXJSLYOT-SFHVURJKSA-N 447.564 1.958 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCCO1 603800585 ZIDAWEFKUSXCSU-OAHLLOKOSA-N 429.929 1.547 30 10 IDEE Cc1occc1C(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 608968775 SWCLKNSYYQALJC-UHFFFAOYSA-N 444.513 1.815 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)[C@H]1CCS(=O)(=O)C1 729332421 YOLQYONCJZBUPF-HNNXBMFYSA-N 426.450 1.338 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742214385 XWDIXYKACOVLDS-WFFDWFOESA-N 443.573 1.868 30 10 IDEE COC(=O)C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccc(Br)cc1 746353412 FLNHSTBZDHZCLF-AWEZNQCLSA-N 434.250 1.528 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(-c4nnco4)c3)cc2C1=O 747301487 OMDZZMCFBWVRHN-UHFFFAOYSA-N 438.421 1.637 30 10 IDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 751275511 URHWULCWSUOCMR-OAHLLOKOSA-N 430.523 1.119 30 10 IDEE CCc1c(C(=O)Oc2c(Cl)cc(C#N)cc2OC)cnc2c1c(=O)n(C)c(=O)n2C 754264627 YUERZVVROTXWJF-UHFFFAOYSA-N 428.832 1.947 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)OC[C@@H](C#N)Cc3cccc(Br)c3)cnc21 774395368 IKCLMSMGIFEWGR-CYBMUJFWSA-N 430.262 1.818 30 10 IDEE COc1ccc(CCNC(C)=O)cc1S(=O)(=O)NC(=O)C1(c2ccc(C#N)cc2)CC1 781529582 BVLOKXCXPXYHQC-UHFFFAOYSA-N 441.509 1.782 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2ccc(Cl)nc2)c1=O 782748802 JAVZMYGEUZBJTC-UHFFFAOYSA-N 447.705 1.470 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccsc1 783061184 HXUKHORWXMRIDC-JTQLQIEISA-N 447.468 1.514 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)n1 788695387 KXMKAMSRDDMDSL-UHFFFAOYSA-N 436.921 1.892 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1cc[nH]n1 789995795 UIBAITJFQMAWNE-APWZRJJASA-N 435.431 1.533 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)n1 790108986 LTHZPSZPIRPWOO-XMMPIXPASA-N 449.511 1.490 30 10 IDEE Cn1cc([C@H](O)C[C@@H]2CCCN2CC#CCN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cn1 792870372 HOHGRHURXBAHCV-CJRSTVEYSA-N 440.592 1.633 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC 795805681 LBOGHJRJURDRDN-NSHDSACASA-N 440.326 1.591 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)cc2F)C[C@@H](C)O1 798740293 PQHHJOWXXWHYMG-RBSFLKMASA-N 444.467 1.323 30 10 IDEE C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 802613074 RAXFKVDTHBXFAK-OAHLLOKOSA-N 427.407 1.681 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 804976092 RJKRDTCJHMHSIE-UHFFFAOYSA-N 438.449 1.130 30 10 IDEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 917063974 YQIVTJWFKOLWJG-INIZCTEOSA-N 442.545 1.093 30 10 IDEE CCc1nnc(CSc2nnc(NN=Cc3cc(OC)c(OC)c(OC)c3)n2N)o1 1083922682 JTCHWWBQTRZLFQ-UHFFFAOYSA-N 434.482 1.701 30 10 IDEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)NCc1ccc(F)cc1 1084134085 YSDJFXBCOMOPPC-UHFFFAOYSA-N 444.452 1.894 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)C1=O 1134232934 LMEDDQCSVFLMPP-LHSJRXKWSA-N 434.493 1.259 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCN3C3CCOCC3)C2=O)cc1 1134307676 QIFYVSVDGLOLRI-RTBURBONSA-N 425.489 1.133 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccc3C)CC2)cc1[N+](=O)[O-] 1135341689 GSRYNWASJSKYHU-UHFFFAOYSA-N 444.469 1.930 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)C1 1136523156 KILFPZAVMYPXTO-RBUKOAKNSA-N 433.350 1.815 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)nn1 1137588306 WKEMAWWTHAQHOK-WMZOPIPTSA-N 446.552 1.832 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1137752362 ROHKSOQUEOGMGE-UHFFFAOYSA-N 436.534 1.778 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 1139833699 OBLWTOGEJUODEZ-QGZVFWFLSA-N 438.550 1.289 30 10 IDEE CN(CCCC(=O)N1CCc2c(sc(N)c2C#N)C1)C1=NS(=O)(=O)c2ccccc21 1158216387 VCMAOEUWFGLQIG-UHFFFAOYSA-N 443.554 1.948 30 10 IDEE Cc1ccc(C(=O)Nc2nnc3ccc(Br)cn23)cc1S(=O)(=O)NCC#N 1158438180 MEBYPHNSXYAIMX-UHFFFAOYSA-N 449.290 1.854 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1177292077 CQRLMZRRKWPHBX-QZTJIDSGSA-N 435.546 1.994 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC(OC)CC1 1286358933 NQRCJSSCQNCKLG-UHFFFAOYSA-N 425.537 1.884 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1286381955 INJOZVCJSFKPBF-GOSISDBHSA-N 440.529 1.546 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1286398117 TXJGXUGKVRDMPA-JOCHJYFZSA-N 441.919 1.740 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CC1(OCCOC)CCOCC1 1286425404 KXDCEILASCRPFN-UHFFFAOYSA-N 425.533 1.959 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286511707 NWBSDSIBZUGAOP-CQSZACIVSA-N 446.558 1.277 30 10 IDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286697777 UAOXOJUJHYQIJW-LJQANCHMSA-N 446.577 1.937 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC=C)C1 1286700615 PQHQWUMAPJMGRS-DLBZAZTESA-N 425.555 1.359 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286779560 JARJWDXJBNZMSZ-HNAYVOBHSA-N 445.520 1.505 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)C1CC1 1288116798 JCGZZCNKYMHWAZ-NRFANRHFSA-N 425.493 1.112 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1291278982 GBADZPLMMBSUDO-VWKPWSFCSA-N 445.545 1.371 30 10 IDEE CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1298714732 RSQACYJZSVNVME-UFYCRDLUSA-N 442.585 1.972 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)ccc1OC 1300018196 DANZIJYZIBOTQN-SFHVURJKSA-N 428.514 1.826 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1300303169 GQKZDSZBJCERQY-CYBMUJFWSA-N 443.458 1.514 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(C)(=O)=O)cc1 1300479218 JOPJTALXFIIIPU-HKUYNNGSSA-N 432.546 1.718 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300486765 ARQRYQIQZIVAPX-LJQANCHMSA-N 427.574 1.976 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300490889 CQBILKANKFOVEQ-JZXOWHBKSA-N 432.550 1.120 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2(O)CCCCC2)n1 1300681186 LBOMDOXCBAJRBL-LJQANCHMSA-N 442.564 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2C)CC1 1300711284 WODBLAJCWVRLCC-UHFFFAOYSA-N 436.560 1.933 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300990147 BYCALMNIUJBAFB-HKUYNNGSSA-N 432.569 1.511 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301034192 NEKBKLUFLXPALQ-HNAYVOBHSA-N 446.987 1.810 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301482592 XKBHFFGQOAJTAJ-ZWKOTPCHSA-N 431.562 1.746 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cncn2)C1 1301508789 VGDRCVBVNILAIW-MRXNPFEDSA-N 427.538 1.369 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCCS2(=O)=O)C1 1301567166 VAYOWFFEXCTVMD-RTBURBONSA-N 448.593 1.888 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2CC(F)(F)F)c1 1302988189 WQTZDIRJYVAXSN-UHFFFAOYSA-N 447.421 1.306 30 10 IDEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CC1 1303000533 PEPHJDPDLNMAER-UHFFFAOYSA-N 425.449 1.452 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCN1CCC[C@H]1CO 1304856600 OVRSNAGEOJSCGN-MJGOQNOKSA-N 439.568 1.200 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@@H]12 1307935917 AOARHAGZTKZTGS-UOUZQGKXSA-N 437.587 1.959 30 10 IDEE C#CCN(C)CCCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1312093576 QSQXDPJZNOYOMY-UHFFFAOYSA-N 426.608 1.720 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)OC 1315807182 FYOPRKBRYALKKV-YTQUADARSA-N 440.504 1.105 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CC1 1316353978 BPLFZJUZBCMDPN-KRWDZBQOSA-N 432.575 1.794 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1358890768 VOKHUZOIEONHKP-QAPCUYQASA-N 429.546 1.870 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1358969453 PLHWYTXPBRIDJD-KBPBESRZSA-N 436.563 1.173 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C)COC2)CC1 1359047396 FDZZBILPEWQNIV-UHFFFAOYSA-N 441.507 1.999 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1359223035 YUBJOYPJLUQURJ-QGZVFWFLSA-N 441.598 1.878 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1359282284 WIESYCFLDWCMBU-QGZVFWFLSA-N 441.598 1.686 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1360477032 UWTUSYPLXBAYTO-CABCVRRESA-N 428.559 1.164 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(Cc3ccccc3F)no2)cc1 1455645641 AODLOGDLAMNFDX-UHFFFAOYSA-N 428.445 1.641 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C[C@H]1CS(=O)(=O)C2 1456614502 SJLVGKRHUXNPFX-WHWRDJHUSA-N 442.324 1.743 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 1464387838 ZTYNRIDMLLDZFF-UHFFFAOYSA-N 428.558 1.833 30 10 IDEE COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc2c(c1)CCO2 1467362857 PXIMECGBZDFLPL-SFHVURJKSA-N 432.429 1.702 30 10 IDEE C#CCC1(O)CCN(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1477242223 DNZTUJFHMAXMMQ-IBGZPJMESA-N 431.533 1.637 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1503258735 DJAXWRORZYUEGU-GOSISDBHSA-N 449.533 1.015 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F 1503461409 AMGBCIVGNPUDJE-UHFFFAOYSA-N 431.447 1.403 30 10 IDEE CS(=O)(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CCCC1 1505118003 AHVVYSFSKPHGIJ-MRXNPFEDSA-N 434.566 1.717 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1507622577 JUPLSKJBCTUCMM-HOTGVXAUSA-N 442.545 1.598 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1C 1507661968 CBHILIUUWLFQDL-UHFFFAOYSA-N 436.541 1.902 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CC(OCC)C2)CC1 1507721345 NFECOIDCEABSBE-UHFFFAOYSA-N 425.533 1.639 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCN(CC)C2)CC1 1507884903 NGOYNSUWJFZJFR-MSOLQXFVSA-N 438.598 1.109 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1507981175 JCEBFXSOOGIJBA-OAHLLOKOSA-N 426.930 1.330 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508134416 SEMSCJFPILZZAK-HNNXBMFYSA-N 443.529 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(NC(C)=O)CC1 1508142668 AVIUBNWPGYXBPF-UHFFFAOYSA-N 437.591 1.636 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508302410 SSQSQWYAEWARGZ-VZCXRCSSSA-N 443.552 1.811 30 10 IDEE CCn1cc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)cn1 1515762978 GTFJFSBVEJAABO-CYBMUJFWSA-N 432.510 1.254 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1517224528 DRWJXLNHYIQHDT-GOSISDBHSA-N 447.561 1.741 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1519578633 IQEWDTCJKFJMKM-CRAIPNDOSA-N 448.549 1.798 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cnn(CCC#N)c4C)CC3)C2=O)n(C)n1 1522236786 JOBMVTMCHCWDPI-IBGZPJMESA-N 438.536 1.101 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1532777143 LUXGDKKCUGJYSD-QUCCMNQESA-N 437.562 1.627 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1538973226 NPTLRLPCJODUDE-MPGHIAIKSA-N 436.557 1.788 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](F)COC)CC1 1539434162 BBWXVJXWLFKNRK-HNNXBMFYSA-N 439.333 1.786 30 10 IDEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCNS(C)(=O)=O 1539587500 FFMBFQUGEILVEQ-UHFFFAOYSA-N 444.355 1.848 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539621623 RVAXKNCPYZAMAK-UXHICEINSA-N 444.580 1.508 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539758183 IPJSEWGGRKOIQF-SFHVURJKSA-N 428.541 1.288 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540868157 UJNYARDOIGWDKT-HSZRJFAPSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540868234 XESKOBYIDAAFSE-UHFFFAOYSA-N 437.464 1.589 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)(=O)CC2)cc1 1540876852 CZKGCQQEHBGATF-UHFFFAOYSA-N 445.545 1.362 30 10 IDEE COC(=O)[C@H](O)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1545994401 XTQYWLUJZCRXCE-QGZVFWFLSA-N 436.306 1.529 30 10 IDEE CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1552399729 MJNOFTMZXXEOJD-GOSISDBHSA-N 432.550 1.619 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc2c1OCCCO2 1555671280 PTYRSADWLVAKOV-SJLPKXTDSA-N 443.504 1.940 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccccc2F)CCO1 1555993969 DIPJGNAOJAQMEC-QGZVFWFLSA-N 435.463 1.562 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1557361714 AMGQJUXJRJJZAC-LBPRGKRZSA-N 435.329 1.518 30 10 IDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1558464265 FLKUHANUWWQRLH-OXJNMPFZSA-N 449.433 1.988 30 10 IDEE COc1cn(C)nc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1558533416 FBZAGDZAMLCDCE-AWEZNQCLSA-N 431.518 1.578 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(CC)cc3)CC2)nn1 1564958410 RYBORUXHMMGLOL-KRWDZBQOSA-N 426.521 1.848 30 10 IDEE CO[C@@H](CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CCOC1 1565053214 ZTEINHDDCKAZCS-LIRRHRJNSA-N 430.484 1.749 30 10 IDEE C#CCN(CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)C(=O)OC(C)(C)C 1567591210 ARKFOMAJAXYROO-UHFFFAOYSA-N 428.533 1.842 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)c1OC 1585387239 GNIIBLXUOMJBOJ-GUYCJALGSA-N 433.486 1.358 30 10 IDEE C#C[C@@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1585918358 DWQNWWRFSKJOLN-LJQANCHMSA-N 428.510 1.749 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)s1 1587087883 ITMKLDHNDDFDAR-UHFFFAOYSA-N 433.555 1.740 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587549805 CHRGACGFNZVPDF-ZWKOTPCHSA-N 437.548 1.640 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCS(=O)(=O)C1 1587661493 CLTMLWGSBFFNFR-IIBYNOLFSA-N 427.530 1.289 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1588029031 CKXIXBIGFJZXPB-INIZCTEOSA-N 430.534 1.742 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588034964 NVSCVDWMIPNCHK-HOCLYGCPSA-N 425.555 1.469 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CC2)CC1 1588899700 UZISYDONJSNFSR-UHFFFAOYSA-N 439.516 1.453 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589559407 QZLOPRHAVUMGEP-ICSRJNTNSA-N 444.580 1.385 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595335711 ZMBDNIRNHQQOTM-HNNXBMFYSA-N 448.549 1.658 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1596799028 LGQHJVRXBVQVIW-CYBMUJFWSA-N 426.930 1.651 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1611307903 IUXUOGDMDCBVJY-WWNBULGVSA-N 437.566 1.647 30 10 IDEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)N1CCCC1 1613608584 AUZDIZXTVJEORE-IIDMSEBBSA-N 427.550 1.205 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1618242265 BVFCSYUNDMWROC-QHCPKHFHSA-N 438.532 1.711 30 10 IDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1618521144 IAWFHGMVDYFACL-YXJHDRRASA-N 435.908 1.437 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1ncn(C)n1 1619900170 UWAJIWRMAMZGHF-LJQANCHMSA-N 436.520 1.874 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)C1 1620346414 AQAIMIVASUKLLV-BEFAXECRSA-N 425.530 1.971 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 1625295012 BABCQPBYDYMHQA-UHFFFAOYSA-N 442.339 1.339 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 1625586790 UFICWNXKYFUJPW-UZLBHIALSA-N 426.583 1.898 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2Br)cc1 1626425635 PVWQSAZDFXAKOA-KRWDZBQOSA-N 437.315 1.824 30 10 IDEE CC(C)(C)OC(=O)NCCCCCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1627237920 XNEGZGVAVXTZSG-UHFFFAOYSA-N 438.550 1.926 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCOc1ccccc1C(F)(F)F)c1cc[nH]n1 1628506416 MVFRJUWIDOTZFK-UHFFFAOYSA-N 428.367 1.908 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)nc1 1629976228 CJPABYZKEIDKIQ-UHFFFAOYSA-N 429.480 1.731 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1632005794 QVWGYZFHEHKUMA-QZTJIDSGSA-N 443.610 1.651 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1646255693 RBXUOJHVQHOYNK-NRFANRHFSA-N 439.497 1.562 30 10 IDEE COC(=O)[C@@H](Cc1ccccc1)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1646455071 DMDLEKAATQBPPC-MOPGFXCFSA-N 426.542 1.831 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1647986911 MYDYCEHQSNZCLS-ZDUSSCGKSA-N 439.559 1.489 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 1648000969 TUEGNGXWCHRIJN-XUVXKRRUSA-N 426.542 1.581 30 10 IDEE Cc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1648028794 OJAUNUMKBSRNLB-UHFFFAOYSA-N 436.277 1.125 30 10 IDEE Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1669822537 AOPOIDLHAJEERF-UHFFFAOYSA-N 430.472 1.900 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)CC1 1684057175 LWHYJECMFXYFRY-HNNXBMFYSA-N 433.559 1.666 30 10 IDEE C#CCN(C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1686928697 ZGXMUNLPLYIOCS-KRWDZBQOSA-N 427.567 1.856 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1689930697 XQHSERJVXCCZIK-LJQANCHMSA-N 439.564 1.965 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1689946932 ZZSBALJTLOQTRC-INIZCTEOSA-N 430.578 1.057 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C1CC1)N(C)C 1689951312 SRGQVTZUGRJWTO-IBGZPJMESA-N 430.578 1.605 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCCC1 1690098172 YJXRXDSVFNPWFX-UHFFFAOYSA-N 436.520 1.702 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1690117903 ZTAOJKVBFMJRJG-HSZRJFAPSA-N 438.532 1.196 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCNC(=O)c2occc2C)CC1 1690128345 BBBXJURBCVALDU-UHFFFAOYSA-N 447.543 1.741 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1690133631 OATNMYVFZVUAAK-KRWDZBQOSA-N 444.502 1.223 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@@H](C)C1 1690527073 IYJAYTCOIQOFHE-ULQDDVLXSA-N 427.571 1.438 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1690622488 QLVCIHCVYBMBNP-SJORKVTESA-N 434.566 1.593 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)C1 1690699786 JAVVOVOEOWPNHH-DLBZAZTESA-N 434.566 1.360 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690719063 GWBTZGQSYVIMMF-AWEZNQCLSA-N 437.953 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690722432 JGWUQOUOWBDEGW-KRWDZBQOSA-N 434.566 1.237 30 10 IDEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)cn1 1690875216 HSJCQQWWYTUQJD-UHFFFAOYSA-N 430.472 1.545 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1692659682 BCYZDMDXLXNFHM-ZDUSSCGKSA-N 425.449 1.654 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1698304466 UREVLDKSVQRPBT-HXUWFJFHSA-N 428.518 1.110 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1698492572 HXMGRCIFOSFEBZ-HXUWFJFHSA-N 447.499 1.518 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1705522386 DFWQJTMCEZXWFL-UHFFFAOYSA-N 438.580 1.725 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1705558558 BDONKXXWJKLUMW-KRWDZBQOSA-N 433.578 1.721 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566409 NUEQAIGLSXPBBY-SCTDSRPQSA-N 449.621 1.670 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705567790 ZQWJDNSAQIEAED-HGHGUNKESA-N 436.578 1.614 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1C 1705623799 FFEAIGXNVJVKJS-HKUYNNGSSA-N 436.520 1.679 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1705627653 MVHXRTTYJMMIBI-HZPDHXFCSA-N 434.541 1.571 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705635948 SISQAHBWYNBVGE-HXUWFJFHSA-N 426.565 1.959 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCS(C)(=O)=O)CC1 1705637160 LOJLYAVZIRIXBD-UHFFFAOYSA-N 438.557 1.683 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705668656 QULUJAAGLCKJCY-XPKAMFKHSA-N 435.594 1.822 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)Cc2ccccc2)CC1 1705762679 FTXURQQORDJNMD-QGZVFWFLSA-N 446.577 1.703 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1705874028 CGVJXSISVBLALO-KRWDZBQOSA-N 441.623 1.729 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1706069297 ACEMSXFYKOHAAA-CABCVRRESA-N 434.566 1.760 30 10 IDEE Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)s1 1707845878 VLGQSCMNLSNRHD-INIZCTEOSA-N 443.581 1.386 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1709850062 CICQLSJRAZCSBI-QGZVFWFLSA-N 439.520 1.347 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1711074113 UEEMNWFEEDYKBJ-RBUKOAKNSA-N 445.545 1.494 30 10 IDEE COC(C)(C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1711492521 NFPIIYFXSWVORD-GCJKJVERSA-N 432.569 1.920 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1722412917 FULORZBAYUNPSF-GOSISDBHSA-N 429.546 1.438 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCn2cncn2)CC1 1722440579 BONPRLGXBRBIIO-UHFFFAOYSA-N 436.520 1.303 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1722440769 JFNORBSSISVTTK-IAGOWNOFSA-N 426.487 1.769 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722452017 APEANGOYKKKKIQ-IERDGZPVSA-N 442.545 1.676 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722534748 QULCWKCCEXGEAW-ICSRJNTNSA-N 429.569 1.818 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722627662 PYTBVZNYCLBTLP-RBUKOAKNSA-N 427.553 1.789 30 10 IDEE C=CCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722688960 CZNSGSZQZDHWCD-LEWJYISDSA-N 432.525 1.319 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCCCCO 1726645417 OWGPUZWNMZDUEE-IAGOWNOFSA-N 426.525 1.321 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1729201866 AGCDMQAIWFNUAK-SFHVURJKSA-N 440.533 1.684 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(=O)(=O)c2ccccc2)cn1 1729568516 CZAGLHWCEGSAQA-IBGZPJMESA-N 444.496 1.099 30 10 IDEE Cn1cc([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)C2)cn1 1729574690 SEQXYVZPSWYHCN-QGZVFWFLSA-N 440.533 1.093 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(C)(C)O 1730868257 QKGCFFZCNCTURI-KRWDZBQOSA-N 443.552 1.756 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCCN1CCOCC1 1730941560 GIOYWQFMOQCRKW-PMACEKPBSA-N 432.569 1.854 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)CCO1 1731190073 ORVUOILELRKPSC-SJLPKXTDSA-N 433.509 1.681 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCS(C)(=O)=O 1740630996 MYHNIHMLJAZCQE-UHFFFAOYSA-N 447.948 1.369 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1740671646 LMGBQCVDKNPRCC-MRXNPFEDSA-N 425.624 1.467 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCn2ccnc2C1 1740680156 SOQWJCJRUNAFCC-PGRDOPGGSA-N 428.537 1.475 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nc(C)c(C)s2)CC1 1740692967 RYEBTCSVJUSNNA-OAQYLSRUSA-N 430.578 1.807 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2CCN(CC)CC2)CC1 1740693002 SDRQPVRPUFFVOL-DEOSSOPVSA-N 444.624 1.807 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740736994 WEVAKKWRVSFIBC-ZFWWWQNUSA-N 441.374 1.482 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1740798862 CKGFCVIUHCQAQH-KZNAEPCWSA-N 435.569 1.741 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740867396 IOZFAWLLQTVGQB-UHFFFAOYSA-N 426.525 1.203 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC1 1741046249 ZGOPFWGSMUDSAK-UHFFFAOYSA-N 435.532 1.792 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1747624222 UIPBLELNZIHDHF-ROUUACIJSA-N 431.518 1.246 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)cc2OC)CC1 1748991089 PWEWKBWGHQBOEJ-IBGZPJMESA-N 425.533 1.993 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)CCC)CC1 1749729565 NNUSSQPHAZBTMA-UHFFFAOYSA-N 448.593 1.770 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1749751935 FRJUEWCUENUXSV-CQSZACIVSA-N 439.545 1.423 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749761185 WYQLRJWEBWVJRH-MSOLQXFVSA-N 434.610 1.477 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750044332 HHEFYPUGAWRPCG-MXLIYFDZSA-N 432.525 1.560 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1750385909 DEOCERVXIAVIFA-DZGCQCFKSA-N 436.925 1.547 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H]2C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1750959326 DZQGYAUYNBMSOZ-UHHPSXQGSA-N 429.525 1.568 30 10 IDEE Cc1nnc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)s1 1751868604 BSHJYZOOGYIRGC-LRDDRELGSA-N 425.515 1.025 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1760105325 NVWPBGXYHMESNP-FUHWJXTLSA-N 433.520 1.637 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NC2CCCCC2)CC1 1760259485 MPCQRMXSOCFJRG-LJQANCHMSA-N 428.581 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(N3CCOCC3)CCCCC2)CC1 1760265727 HZDJXBMIYMDGGS-UHFFFAOYSA-N 428.581 1.587 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1760445694 SKAHRDFHXDCPLT-UHFFFAOYSA-N 443.508 1.797 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccsc1 1760522852 ZQZRQGFJAVVOQB-HZPDHXFCSA-N 435.575 1.885 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NC)C1 1760543937 WNAUNXOZESMJRK-GOSISDBHSA-N 440.552 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760552155 DTLNHKLAMJJSMQ-KRWDZBQOSA-N 427.534 1.117 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1760552561 SCVTWOGNZADMOD-UHFFFAOYSA-N 448.593 1.488 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760555137 YBSGTVWYPXTPFA-UHFFFAOYSA-N 437.610 1.916 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1760695336 FZHYHKBRAOXJPQ-RHSMWYFYSA-N 430.534 1.118 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1762033881 CTLUXJYGYWSPHL-CVEARBPZSA-N 446.577 1.991 30 10 IDEE CCOC1CC(O)(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 1766159425 AIFJNSLNHNLITP-UDJZJCJKSA-N 433.553 1.989 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)CC)CCN2C1=O 1766926374 BKRFWSHFQGRHCI-JTSKRJEESA-N 437.504 1.450 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1767748705 LUNVTEHAMSTNGJ-CZIZESTLSA-N 441.492 1.335 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1768517678 BVOHELSGMMOZSB-LJQANCHMSA-N 435.536 1.865 30 10 IDEE COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1770306604 HZKKMYQDJFLNKD-OALUTQOASA-N 441.536 1.457 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCN2CCC(O)CC2)cc1 1771532458 AZKIDVKLIGBRQT-LJQANCHMSA-N 437.548 1.365 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)OCCN2CC3(COC3)C2)[C@@H]1c1ccc(C#N)cc1 1848993513 FJRKILZNYAEEPJ-PMACEKPBSA-N 429.542 1.827 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CN(S(=O)(=O)C4CC4)C3)ccc21 1850281999 DBONWCPEELKSCE-UHFFFAOYSA-N 433.530 1.987 30 10 IDEE COc1ccccc1N1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851518964 DTGSQYJTSPBONG-LLVKDONJSA-N 433.408 1.919 30 10 IDEE CN(CC(=O)N1CCOCC1)C(=O)C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O 1851900186 DPEBZZHEEFKNNZ-QFIPXVFZSA-N 446.507 1.963 30 10 IDEE C=CCC1(S(=O)(=O)N(Cc2cnn(C)c2C)[C@@H]2CCc3nn(C)c(=O)cc3C2)CC1 1853422597 GSIUIFZSWLNNST-GOSISDBHSA-N 431.562 1.620 30 10 IDEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)c1 1854129112 AJZIZGNIPVKVSH-QGZVFWFLSA-N 425.510 1.999 30 10 IDEE COc1cc2cc(C#N)c(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc2cc1OC 1858203151 RQSIVJCGCWWRMQ-CQSZACIVSA-N 435.527 1.861 30 10 IDEE COc1ccc(OCCNC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858422001 JQEODBBVVDRHQV-KRWDZBQOSA-N 429.498 1.773 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867781705 GNMRSWHQOKQLGI-GOSISDBHSA-N 437.456 1.851 30 10 IDEE CC[C@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868794374 BSOHZLPDNNKSFJ-UTKZUKDTSA-N 433.578 1.643 30 10 IDEE O=C(NCCCO)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932313 ZTDMVUQIDNCWOV-GOSISDBHSA-N 426.498 1.316 30 10 IDEE N#Cc1cccc(C(=O)Nc2nc(N(CCO)CCO)nn2-c2ccccc2Cl)c1 1869954609 SNSFWBPCZIRDLG-UHFFFAOYSA-N 426.864 1.836 30 10 IDEE C=C(Br)CS(=O)(=O)NC1CC(NC(=O)OC(C)(C)C)(C(=O)OC)C1 2006239011 PINVORKDVREBLX-UHFFFAOYSA-N 427.317 1.413 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010541055 OYIKFELJZSIBGU-DNVFCKCGSA-N 428.533 1.889 30 10 IDEE COC(=O)[C@@H](CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2060637026 FYOYKCBYNIVHCI-HLPPOEQASA-N 438.330 1.993 30 10 IDEE CCO[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2164487531 NLCMZHRJZNNGKG-APWZRJJASA-N 441.481 1.282 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cc(Br)ccc2C#N)[C@@H](O)C1 2197488102 JTKDLPSUVMFLGI-KSSFIOAISA-N 440.294 1.992 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCC3CN(C(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2243387318 ROTUEQBYPGLVRO-UHFFFAOYSA-N 440.309 1.707 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2244282282 CJIIFFQFKSTGCN-VLIAUNLRSA-N 428.530 1.965 30 10 IDEE C[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247878969 QVJXORFHZPTXMN-INIZCTEOSA-N 432.351 1.953 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255610395 NNGMTWSIJPZWSW-KBPBESRZSA-N 434.346 1.847 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2255623638 PPKPVJNHFJIUIK-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255819452 AVCHCKYGOMNQAY-UHFFFAOYSA-N 436.314 1.538 30 10 IDEE CC(C)(C)OC(=O)NC1CC(F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255834696 PGPRTWRLWQOPGH-UHFFFAOYSA-N 438.309 1.834 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255839399 VKOLKPNDQKISPX-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE Cn1nc(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843470 HNFWGBRRSGQHGA-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2257488914 IAUQPZYFKNXVKT-INIZCTEOSA-N 438.305 1.627 30 10 IDEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267121769 BTYGQNLTPLZWMJ-SJORKVTESA-N 439.369 1.849 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2267148971 GVIKWVATXISMHR-RCDICMHDSA-N 446.357 1.941 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267277087 KZRABQDKCMDYFJ-HNNXBMFYSA-N 449.357 1.927 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)n1 2267536561 KJGAAVNIEQERPZ-CQSZACIVSA-N 449.361 1.634 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267601908 CWMQRHUHHVJHTN-CVEARBPZSA-N 449.357 1.424 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2268630335 JGIMGQJUXRIHHV-SFHVURJKSA-N 446.353 1.756 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1O 2329018064 XJVKWNCKYCJPKC-ZDUSSCGKSA-N 432.506 1.176 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2337197525 XRBYEKMXOLQQGH-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE C#CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OC)ccc21 13794910 QVPZZRZHNYEXOF-MVZUJROASA-N 435.527 1.364 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 27559792 RVDSHTYRQQYTFY-UHFFFAOYSA-N 449.555 1.475 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc(C)c2)CC1 57830852 OWGSLMULFLHFMU-LJQANCHMSA-N 432.590 1.293 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(N3CCC4(CC3)OCCO4)=NC(O)=C2[C@@H]1/C=C/c1ccccc1 72444395 AQWSVHHQRRDSFH-KGVXHEBISA-N 433.468 1.962 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)NCc3ccc(F)cc3)o2)c1=O 101350939 WNKHPSCMYRBCQU-UHFFFAOYSA-N 445.476 1.552 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)CC1 105264494 WNAHPZCSRKUSPQ-MOPGFXCFSA-N 426.561 1.999 30 10 IDEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1 432188098 SLFXHTWYHZRNHY-UHFFFAOYSA-N 428.580 1.135 30 10 IDEE Cn1cnc2c1c(=O)n(CCCN1CCC(C(=O)Nc3cccc(C#N)c3)CC1)c(=O)n2C 502172259 LHVVLMPFEAZNGW-UHFFFAOYSA-N 449.515 1.046 30 10 IDEE COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503642343 HYAVXGOKDVPZKA-UHFFFAOYSA-N 442.497 1.694 30 10 IDEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508462073 SBHKSYUAAYLQLP-UHFFFAOYSA-N 430.940 1.882 30 10 IDEE CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NC)n(C[C@@H]2CCCO2)c1=O 514685013 HCJNSXFQILDUJE-AWEZNQCLSA-N 437.521 1.646 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(Cc3ccon3)c2=O)c1 539596250 VRDMAWZHDALJDS-UHFFFAOYSA-N 438.509 1.776 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O 589159287 MJZQQTGBZBVUBJ-UHFFFAOYSA-N 435.427 1.286 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 609026064 IJYQVKIBBADPIQ-INIZCTEOSA-N 428.514 1.582 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 619741484 JJJBGIQFNUXHGJ-PGRDOPGGSA-N 449.559 1.904 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 729332316 XNOFLZCQOOVMFI-SJLPKXTDSA-N 438.571 1.370 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665376 ZKKXROCBYKPAKA-AEFFLSMTSA-N 429.546 1.339 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 742407477 NBWVGTBPJMKOCN-FQEVSTJZSA-N 425.514 1.133 30 10 IDEE CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 748784470 HPEPPFLTIZMZQN-INIZCTEOSA-N 426.454 1.422 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 756164992 JBMULVMGCDBLJR-HLNJFSBGSA-N 449.577 1.828 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCCO3)c2=O)cn1 758097898 IHWYKNCGFSTROY-QGZVFWFLSA-N 443.573 1.113 30 10 IDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n([C@H]2C[C@H]3CC[C@H]2C3)n1 775154034 FDUACICHGOFNGN-MPRMRHCWSA-N 426.477 1.134 30 10 IDEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134364 CWMTYGIBDYUYOQ-UHFFFAOYSA-N 434.525 1.561 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCCC3CS(=O)(=O)C3)nnc12 790633166 VAVWHNNAOFCPIG-UHFFFAOYSA-N 448.526 1.300 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC(=O)N2C(C)(C)C)cn1 796426073 VWRDTJUVYADHAL-APWZRJJASA-N 428.493 1.307 30 10 IDEE CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 808622375 PDCXSHWURZIWEI-UHFFFAOYSA-N 433.530 1.905 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 809894170 ZVBLPDRNGACDEG-OAHLLOKOSA-N 443.570 1.643 30 10 IDEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccccc3-c3ccnn3C)c2=O)CC1 814250745 YKJIEXAEAUADBJ-UHFFFAOYSA-N 430.537 1.604 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1-c1ccc(OC(F)F)cc1 814748790 MRERBDMTCKLNPW-UHFFFAOYSA-N 443.461 1.568 30 10 IDEE COCc1nc(Cl)cc(NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)n1 814975626 NQSSQHNMPCYKSL-UHFFFAOYSA-N 429.868 1.567 30 10 IDEE COCCCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCS(=O)(=O)C1 1124632186 SBEVDMHOVWOTDE-CYBMUJFWSA-N 445.335 1.752 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)c1 1136327759 OUBRUSFTWUJXJB-GOSISDBHSA-N 442.516 1.486 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(S(N)(=O)=O)cc1 1141816865 GGOZSCHOBRDJAC-UHFFFAOYSA-N 432.571 1.888 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)cc1 1142060846 AMLGBJKZUBSZLA-UHFFFAOYSA-N 429.498 1.902 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N(CCC#N)Cc2ccco2)C1 1142582181 BBCAZZBEUZQZJR-MRXNPFEDSA-N 425.507 1.946 30 10 IDEE CCS(=O)(=O)N1CCC([C@H](C)N(C)CC#CCN2C(=O)c3ccccc3C2=O)CC1 1194853784 HEZONEQZVCIXFG-KRWDZBQOSA-N 431.558 1.668 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@H]2CC2CCOCC2)CC1 1198448763 BBDNKTQNEZEEBM-UXHICEINSA-N 432.590 1.974 30 10 IDEE C#CCN1CCC(NC(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)CC1 1207586821 JIEHVQVUSPLFJF-UHFFFAOYSA-N 448.365 1.947 30 10 IDEE CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1259149065 CJTOHKQYVQBNBE-UHFFFAOYSA-N 433.555 1.905 30 10 IDEE CCS(=O)(=O)N(C)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1279700059 AMYCZWOORWQMSC-UHFFFAOYSA-N 436.515 1.150 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1286284660 GACQMZDRKXIUGJ-OAHLLOKOSA-N 427.530 1.824 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286324260 QDUZDPACQXRSKW-KRWDZBQOSA-N 436.582 1.331 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389631 NRUIRIXBPTWJMI-RTBURBONSA-N 445.593 1.180 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286391992 GTLKFESFIGSNTH-RBUKOAKNSA-N 429.546 1.437 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCc2nccn2C1 1286459761 PSHVZELYTVSBGT-AVRDEDQJSA-N 428.537 1.475 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1286553326 DDQYLXAYBXCYNZ-KURKYZTESA-N 439.582 1.583 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286606022 DMFHAZQUBVFWGQ-JKSUJKDBSA-N 434.541 1.925 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286711459 NVCXMLDUFIHSEH-QGZVFWFLSA-N 427.509 1.349 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1286773737 QXJZTMWFQAFNNA-SFHVURJKSA-N 433.578 1.933 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OCC2CC2)C1 1286780536 FOVRUCHKHOUOKG-QGZVFWFLSA-N 439.520 1.623 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1286789931 LRSBDHPAEPSWQK-UHFFFAOYSA-N 439.545 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286816534 GBAPFFNEROYOSS-HOCLYGCPSA-N 427.571 1.927 30 10 IDEE COc1ccc(-c2nc(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)cc1OC 1289200879 BFDRHPXILAMXIC-XOBRGWDASA-N 447.538 1.767 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1300300561 HTBWXIXHERGPNR-OLZOCXBDSA-N 449.392 1.802 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1300307833 IXRYAMLDVOWOAB-RDJZCZTQSA-N 447.536 1.516 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@H]1CC 1300385740 DGZIEHXDADWLTE-MRXNPFEDSA-N 443.577 1.675 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1300479936 VTIFOSXNAIUEJQ-BZSNNMDCSA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300492051 LHQJZLNEHLTHKA-LJQANCHMSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1300496291 PMXBVQYITDFKSO-MOPGFXCFSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1300579176 SDPDYXWTJFNHBD-QGZVFWFLSA-N 443.529 1.104 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(CC)C(C)C)CC1 1300685422 NHSBFCOBWZZLTG-QHCPKHFHSA-N 432.613 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCCC)CC1 1300718999 KTEUTAWEDVBYKH-UHFFFAOYSA-N 433.516 1.309 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300769274 DEOUPWWKHZKMLM-HXUWFJFHSA-N 444.586 1.495 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CCC2)CC1 1301105353 HSEVBGKJWGQGMF-AWEZNQCLSA-N 445.611 1.258 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1301524809 DKHTWSOPOLLLLZ-QUCCMNQESA-N 441.532 1.736 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301585999 PGYJXMTVNIMNTD-HNNXBMFYSA-N 442.549 1.133 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccccc2OCc2ccccc2)CC1 1302923714 DBLUFUDMTZMXRR-UHFFFAOYSA-N 443.525 1.256 30 10 IDEE CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 1310115176 HDDYKXPEKSINNL-UHFFFAOYSA-N 436.472 1.948 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCCC2)CC1=O 1314926340 HPXBCLAJVYOWFP-UHFFFAOYSA-N 435.532 1.888 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1314965628 VXFGCFSKJTXEGS-ZYSHUDEJSA-N 442.520 1.087 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)OC 1316206618 PAXZBASATKLUOB-SJORKVTESA-N 429.525 1.630 30 10 IDEE NC(=O)CC1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1316545796 DXIZUEHDGOXSPL-XUTLUUPISA-N 441.536 1.554 30 10 IDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nn1 1354241953 BLMIVEFJWUJVDF-UHFFFAOYSA-N 446.533 1.338 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1 1354645686 JPZDUFRISGKTFX-GOSISDBHSA-N 427.501 1.645 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359045929 YKKUDMMVVFQNCC-GOSISDBHSA-N 440.523 1.290 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359302734 RMQUTTAETCZJDK-QFIPXVFZSA-N 426.521 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCOC1 1359329622 PAZQUCGFFUHLII-OAHLLOKOSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359333947 OXXNOEVSXKMWRJ-HXUWFJFHSA-N 444.605 1.929 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1359336301 LEKWZCOARRWADM-UHFFFAOYSA-N 442.593 1.858 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1435459773 KQGMCYSNZYLPIW-QXDIGNSFSA-N 444.532 1.887 30 10 IDEE C#CCN(CC(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1)C(=O)OC(C)(C)C 1450725031 WQAVDUSJOMRJTA-INIZCTEOSA-N 429.583 1.765 30 10 IDEE C[C@H](CC(=O)N[C@H](C1CCOCC1)C1(CO)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1452463696 KIKJVIATRZHLGI-FOIQADDNSA-N 449.573 1.578 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN(C)CC#CCN2C(=O)c3ccccc3C2=O)cc1 1459646416 KMGYSWSJJYEFHR-UHFFFAOYSA-N 425.510 1.505 30 10 IDEE CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1465705818 HLDFQSZCTQPENJ-UHFFFAOYSA-N 439.472 1.874 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)NC)ccc1Br 1469876076 ARFCADWPPROSSJ-UHFFFAOYSA-N 445.335 1.774 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1470268496 ZGCANKZUDHXMJA-QRWLVFNGSA-N 445.944 1.499 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)C1 1478403228 ILKFDJIMXZMRID-IHRRRGAJSA-N 425.486 1.596 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1503749447 WNXCIOLDYMNAQF-LJQANCHMSA-N 437.548 1.941 30 10 IDEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1504837713 WUSMLSNKOOTYLH-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OCC)C(C)C 1507539868 XXAWKDHPDJHWRW-KSZLIROESA-N 441.598 1.520 30 10 IDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1507580765 GKLBLSZIADZGRH-UHFFFAOYSA-N 434.504 1.811 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(CCOC)c1 1507604799 IPMCPRSVZAGDAZ-UHFFFAOYSA-N 441.923 1.822 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632530 MWQCDSLXBHOELL-MSOLQXFVSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507635801 VRSCCXVSGPDZFG-OALUTQOASA-N 445.589 1.952 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)F)c2)CC1 1507731853 QUNQTWGSFKDWAK-SFHVURJKSA-N 449.527 1.921 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 1507750764 DMXLYQAPRWGBJZ-ULQDDVLXSA-N 441.623 1.460 30 10 IDEE C=CC[C@H](Cn1c(CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1507929161 NQYGDECRRCJZDL-LJQANCHMSA-N 435.536 1.536 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1508012727 HULHOZJIAMDBMX-SLFFLAALSA-N 443.596 1.694 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508080971 UWXULUAQOJGTKU-HNNXBMFYSA-N 442.545 1.362 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1513977786 CUOWYYVIJBIHTQ-GCJKJVERSA-N 440.504 1.249 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1CCOCCS(C)(=O)=O 1517104969 BZWVEXNEECVQDY-UHFFFAOYSA-N 440.529 1.909 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C[C@H]1O 1517690489 QXCYJTUNQKUZFA-BRWVUGGUSA-N 447.442 1.601 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1519384687 WRWNZGNNDQMDHR-WOJBJXKFSA-N 443.504 1.386 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1526814052 GLXCHIDTIRWPEY-SFHVURJKSA-N 441.557 1.400 30 10 IDEE Cn1c(CCC(=O)N2CC[C@@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1529652077 SAGAXVIBLUBECF-NRFANRHFSA-N 445.545 1.289 30 10 IDEE N#CCNC(=O)CNC(=O)c1csc(I)c1Br 1531943443 JGQQBNKPZYBFMO-UHFFFAOYSA-N 428.049 1.485 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OC 1531945272 DZGJDKGXPSXVCO-ZDUSSCGKSA-N 440.426 1.984 30 10 IDEE Cn1nc(I)cc1C(=O)Nc1c(C#N)nnn1Cc1ccccc1 1538615879 YDZBNPVNHAIKQW-UHFFFAOYSA-N 433.213 1.788 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539072828 WWDKXNASJLVEQG-ZWKOTPCHSA-N 435.594 1.725 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539094431 PRPBXXIOGBOBIU-SFHVURJKSA-N 433.553 1.491 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1539161190 CGGKDJQDRUNBMT-AWEZNQCLSA-N 449.284 1.904 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1539215480 DBFDPJKUEZJKEV-INIZCTEOSA-N 445.574 1.395 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1539265005 BWKSSEKSCVZAAU-LJQANCHMSA-N 448.552 1.702 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1OC 1539290280 DEJVIGRSMZFZLN-UHFFFAOYSA-N 445.483 1.849 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCO2)n1 1539423998 JCNKIERLWRZMTG-ICSRJNTNSA-N 428.537 1.834 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 1539446512 DTZRGAUHTWEXKR-SFHVURJKSA-N 432.569 1.842 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539772971 PKZOAKQKDVPEAD-GJZGRUSLSA-N 426.949 1.536 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C)n1CCS(=O)(=O)N1CCSCC1 1540182829 ZLQABXCRHXRIIS-UHFFFAOYSA-N 425.580 1.793 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC2)C1 1541223407 SWPMJICFSSOHGZ-KSZLIROESA-N 445.568 1.873 30 10 IDEE CNC(=O)Cn1cc(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1543231243 NXGPBSAGFFGEFO-LJQANCHMSA-N 438.488 1.974 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1545129038 DEJYDRYTSYJKND-RMYFCYLKSA-N 427.534 1.752 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1547901740 RWQSWWPEOHRINI-WQTXXOFMSA-N 430.553 1.975 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1552712408 BGGYMKRBUAOSNA-IRXDYDNUSA-N 440.460 1.321 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CCO1 1554451256 COXMZIRNPPJLNR-SCTDSRPQSA-N 442.495 1.818 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1554478247 BYJDEGNHVJNZEF-AOMKIAJQSA-N 426.521 1.852 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1555500312 WBNZEEHITHYFNC-WIYYLYMNSA-N 440.548 1.922 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)nn1 1586901215 TXXNOEYNNLDKDM-WCQYABFASA-N 431.415 1.458 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1587640755 VABATCRWCLYYIK-CVEARBPZSA-N 430.513 1.336 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1587856816 SFDODSLFVPTCPJ-HKUYNNGSSA-N 449.621 1.971 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1588228889 NARKERIQDSWBMP-MRXNPFEDSA-N 445.511 1.527 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588899036 KXLLXEYUGTUMAU-OSPHWJPCSA-N 448.527 1.322 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1588975021 DGHQBGKBHKFBLA-GJZGRUSLSA-N 425.518 1.007 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@H]1CO 1589233133 DNHLJJKDPOJZIO-WMZHIEFXSA-N 428.581 1.630 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1593768260 CJLGXNVCZKWMOP-LAUBAEHRSA-N 434.541 1.125 30 10 IDEE C=CCCCCn1c(CC2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1594646356 WFMIVLGTAJEHDN-UHFFFAOYSA-N 428.541 1.054 30 10 IDEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1597410038 OQCNJJDQLHUTPL-GOSISDBHSA-N 437.548 1.928 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1609975812 UPTZXBZWHNZRKY-OSCRUYLVSA-N 445.524 1.007 30 10 IDEE Cc1cc(C#N)cc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)n1 1611766225 GIAIFHSSNMKMHY-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1612340913 GQRBGBSLNHURBB-UHFFFAOYSA-N 448.535 1.215 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC(=O)N1C 1612912478 XEQBFSUHNSFYQW-INIZCTEOSA-N 444.561 1.699 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cnn(CCOC)c1 1616825668 GIYQJZOZJPSOFE-UHFFFAOYSA-N 438.492 1.241 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1617625365 OEYIHCRKZFXKCO-UHFFFAOYSA-N 439.545 1.654 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1620053417 LPTKQXUANJMABM-NQIIRXRSSA-N 440.548 1.779 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1620346463 BGEXSJYDDBMIFA-DIFFPNOSSA-N 441.439 1.398 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1=O 1622074738 QBACKAJZVOALGJ-RBUKOAKNSA-N 435.546 1.694 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OCC 1622506685 VXABQEIVARVWCS-LLVKDONJSA-N 447.311 1.677 30 10 IDEE CC(=O)N1CCC(N(Cc2cncs2)C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1624896311 ROGRVVPGIRJMHL-FMQUCBEESA-N 431.518 1.399 30 10 IDEE CN1C(=O)COc2cccc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c21 1624987112 JYLPQMUDIDGUGL-MRXNPFEDSA-N 433.424 1.757 30 10 IDEE N#Cc1cn(CC(=O)Nc2cc(F)c(I)c(F)c2)c(=O)nc1O 1626511243 JZTGCPIAEUSHGD-UHFFFAOYSA-N 432.124 1.342 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c1 1627386300 ZVRNLESDOJWDAI-NSHDSACASA-N 435.399 1.796 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cn2cnnc2)CC1 1628630508 LATIRKDIXLBPNL-SFHVURJKSA-N 444.561 1.814 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 1634860523 QEBCXWDWVQWHEB-KSFYIVLOSA-N 444.488 1.800 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CC#N)n1 1636654263 DRMJYTIKFLNGLB-QGZVFWFLSA-N 430.486 1.816 30 10 IDEE CC[C@@H](CNS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1636941247 OCRDAQWXWIXKPD-LPRCSBTHSA-N 428.555 1.217 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1639557999 ADOKZLPGWKOUAW-SWLSCSKDSA-N 448.335 1.719 30 10 IDEE C[C@H](CC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1640270798 BOGIQNQWBWSARL-CJNGLKHVSA-N 426.498 1.208 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1640924061 FZBOXSJFHSVLSY-PMERELPUSA-N 442.578 1.938 30 10 IDEE C=CCC1(O)CN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1644589128 NGALCLJJAYSUEZ-MRXNPFEDSA-N 444.557 1.694 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OCC 1648779680 OSBZTYZXZFKQLP-ZDUSSCGKSA-N 445.856 1.987 30 10 IDEE C#CCCN(CCOC)C(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1648936208 VZHJIXOAZPXBJF-UHFFFAOYSA-N 425.514 1.821 30 10 IDEE C#CCN(Cc1cc(OC)c(C(=O)OC)cc1Br)[C@@H]1CCS(=O)(=O)C1 1653710166 DXQFXUAUWJFQRV-CYBMUJFWSA-N 430.320 1.867 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)OC 1662439722 BQZSRTKEBIHKQE-RKVPGOIHSA-N 442.559 1.196 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(I)s2)CC1 1663574486 PFLSUEIHQVWPGV-UHFFFAOYSA-N 438.312 1.503 30 10 IDEE COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 1676113164 NWAQFVHMVRWADU-IEBWSBKVSA-N 436.534 1.016 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1689907643 GMLMJQTTXMVORK-QGZVFWFLSA-N 436.582 1.035 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCc1cnn(C)n1 1689944032 IXBOXXOHNFQPNP-UHFFFAOYSA-N 426.912 1.692 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1689988164 KKQBARIYHWRXEY-LJQANCHMSA-N 440.573 1.537 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1690101238 SYZWPBOFICKBOR-XUTLUUPISA-N 435.488 1.261 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1690136694 IGMAFIPBCPUOOU-IBGZPJMESA-N 439.564 1.768 30 10 IDEE CCC(O)(CC)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1694419620 GZZIOZHNSDDFOQ-IAGOWNOFSA-N 440.552 1.710 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1695405336 VXLKQPJGBKWZJZ-AXNLMSORSA-N 443.552 1.671 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1695939237 GAFDGZZNTORURR-UHFFFAOYSA-N 433.520 1.955 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCN(C(C)=O)CC1 1696298463 IEOJEYNWLAJLPT-UHFFFAOYSA-N 439.520 1.608 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1698215402 NKUVLVXNXDTBHV-VQTJNVASSA-N 438.532 1.975 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1698312814 BATPPXWZXOFDPU-IBGZPJMESA-N 442.545 1.680 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)nc1 1705477436 ODGLLXLMGBWBCG-ZWKOTPCHSA-N 428.537 1.740 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1705496976 RKZAPKPBHUXEIX-KRWDZBQOSA-N 442.545 1.743 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1705561385 PPIUCAQTFBCCRP-IBGZPJMESA-N 431.562 1.202 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)CC1 1705641365 CEGVGCHWTICNOY-UHFFFAOYSA-N 441.486 1.487 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)CC1 1705700711 XNIVMOXSSKTVCE-GGPKGHCWSA-N 432.569 1.369 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1705876130 PRCCIFFJRJZRRW-KSZLIROESA-N 439.582 1.605 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC)N2CCCC2)C1 1705924297 BUVQOFUGTBAEPN-CEXWTWQISA-N 437.610 1.836 30 10 IDEE CCCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709682493 JITVIORLNNWNHV-APOCOGJHSA-N 432.525 1.691 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712352455 OHYAONCBAJOYAA-XSAFGROZSA-N 430.509 1.171 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722334395 FSQIKOGZWYMPQX-UHFFFAOYSA-N 436.516 1.812 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722534973 UYQCNHYTDSKGIR-HNNXBMFYSA-N 425.497 1.398 30 10 IDEE C=C(C)Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1722553403 QTEIYLGYEYDJDU-JOCHJYFZSA-N 441.536 1.327 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722576051 IDXCSRVOTDDRDX-NRFANRHFSA-N 432.546 1.906 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722693427 NELFXIQSCJHJBT-LJQANCHMSA-N 437.504 1.567 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CC(F)(F)C1 1722724945 JNDFDXUVPQEGEG-UHFFFAOYSA-N 431.509 1.596 30 10 IDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722742124 JEQVACOTWADZIA-UHFFFAOYSA-N 436.607 1.655 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1723680224 ZTDCUTYDGCTPRQ-FGZHOGPDSA-N 442.495 1.908 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C[C@@H]1C 1729791479 JYGJAHFEYVWKCW-YCRPNKLZSA-N 426.477 1.245 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740618191 DQZISSIMBDTZJB-FUHWJXTLSA-N 447.561 1.194 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1740624027 CJYJFDFTGRDBKI-GOSISDBHSA-N 426.546 1.943 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740722063 CJVODPSZWVNBQI-UHFFFAOYSA-N 431.522 1.811 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740722930 MTTBEARZOQXFLO-MRXNPFEDSA-N 439.582 1.911 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1740739292 QTMGRDYEVKFNFU-NWDGAFQWSA-N 436.376 1.658 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1740821041 BEPRPDQFYVJHKX-HUUCEWRRSA-N 433.962 1.226 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740868782 SKQKWKIIFQCQOG-SJORKVTESA-N 448.597 1.750 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740961682 HQGKLPYNTJIHCL-MSOLQXFVSA-N 436.564 1.738 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1741930531 GYZKYTBNHHMJLZ-YRNRMSPPSA-N 446.581 1.477 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744066401 WFHANLUQEUDMMF-ZJYNUGOYSA-N 443.552 1.959 30 10 IDEE CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)C1CC1 1748413080 KRZUFZXDXAYHRJ-SFHVURJKSA-N 438.536 1.435 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1748674781 XXGUJEFFOFFTEG-CQSZACIVSA-N 438.500 1.545 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1748755596 PYLONYCMUYJWEB-MRXNPFEDSA-N 439.549 1.579 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@H]1OC 1748867158 AZRMEHDCZIZHPU-MZKRTTBSSA-N 430.549 1.833 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCn1cncn1 1748922800 MNBGCLPQUKQDIW-UHFFFAOYSA-N 431.504 1.987 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N(CC)CC)CC1 1749010554 SKKOHSMYLSKALM-AZUAARDMSA-N 430.597 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2n[nH]c(C)n2)CC1 1749016797 OXEJUQKEGWYSAM-UHFFFAOYSA-N 438.561 1.565 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1749241269 HRCOLPKKZMWMNL-UHFFFAOYSA-N 432.569 1.439 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1749464654 AZKNBMYZNZWKKV-MRXNPFEDSA-N 429.550 1.804 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749664766 ZDFCLFPKOLQLDK-KRWDZBQOSA-N 426.521 1.664 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OC)cc1 1750154337 LWSIRGRQVWVOPL-IHPCNDPISA-N 427.505 1.982 30 10 IDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)CC1 1750386385 GHKHTNYCZWXSOV-UHFFFAOYSA-N 447.341 1.800 30 10 IDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1750652364 GLKWFXANABGEQQ-WIYYLYMNSA-N 445.545 1.401 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)C1 1751277057 IASIVIHTWOKCDL-IBGZPJMESA-N 434.522 1.571 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1760131718 YMDRLVVRXKPDFZ-MRXNPFEDSA-N 425.555 1.078 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1760189097 NKPOTVSSZRHCGN-OAHLLOKOSA-N 444.467 1.688 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1760225803 YQNOMJHRBGXXQZ-HNNXBMFYSA-N 433.534 1.442 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760259865 HZKNHSWCVDHUML-AOMKIAJQSA-N 428.537 1.558 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 1760402892 XTIXEDURAOLVCG-GOSISDBHSA-N 429.546 1.730 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528751 LHJQIHQQYNIAPB-PGRDOPGGSA-N 433.553 1.628 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OCC)CC1 1760556784 PXESYBZTXKSFHH-UHFFFAOYSA-N 448.549 1.143 30 10 IDEE CCn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)NC)c2ccccc2c1=O 1765579673 FBTVZAMYWGAYBT-HSZRJFAPSA-N 448.531 1.941 30 10 IDEE COC1(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1768205308 GIKGYNZJNVOENK-HNNXBMFYSA-N 430.534 1.958 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1769325301 HVFKOOAGYUTOEI-IBGZPJMESA-N 435.532 1.695 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770133408 ZDKUYUSAGOXMTK-NXDJFEHLSA-N 446.552 1.591 30 10 IDEE CS(=O)(=O)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1771352235 HZIKXVAEXPIZBN-QGZVFWFLSA-N 426.502 1.370 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCSCCCO)C1 1771530435 LBHZJMZWZDWSCR-SFHVURJKSA-N 438.554 1.827 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1772566638 OYATZUUQXYVFGO-OLZOCXBDSA-N 430.431 1.079 30 10 IDEE CCc1c(C(=O)NCC#CCN2CCOCC2)nnn1-c1cc(C)c(Cl)cc1OC 1850692580 UEAMSRJHVTYIBX-UHFFFAOYSA-N 431.924 1.866 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CCn2cc(Br)cn2)CC1 1851898495 DLZIATFHCYJDMK-UHFFFAOYSA-N 433.310 1.668 30 10 IDEE N#Cc1ccc(NC(=O)NCCN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 1852246554 RYXJSQWERXSLFQ-UHFFFAOYSA-N 431.493 1.825 30 10 IDEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1853673831 JMCBRUIQLKWQRU-OAHLLOKOSA-N 430.530 1.873 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccc(C)cc3)C(=O)C2)C1 1853697983 QTAGDULPBPNOPN-LJQANCHMSA-N 433.574 1.480 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)[C@@H](F)CC(F)(F)F)C1=O 1854283995 RLWFYIDBZZDKGR-JSGCOSHPSA-N 428.390 1.277 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c(O)c2)cc1 1862689761 YYJHDCXFWFWWSP-LJQANCHMSA-N 426.425 1.821 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1F 1865730066 XLHBPNXPJFCDGY-HNNXBMFYSA-N 426.448 1.118 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCN(CC)CC1 1870571204 VHIIWFFKHYKGPL-UHFFFAOYSA-N 432.550 1.349 30 10 IDEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ncccc2C#N)CC1 1892216306 FLIAVKXOHOULMX-UHFFFAOYSA-N 434.431 1.609 30 10 IDEE CC1(C)OC[C@H]([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nncs2)O1 2033814151 MJPSANMWDCGHLH-UKRRQHHQSA-N 445.453 1.871 30 10 IDEE N#Cc1c(I)cc(I)cc1[C@H](O)C(=O)O 2060278256 CRMGSELXTUKMDD-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE C[C@@H](c1nscc1C#CCO)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186576076 AJZCPXPVJZRSKN-AWEZNQCLSA-N 447.538 1.496 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)C1 2247541675 YGJXKJODXFDMJU-RITMXGJUSA-N 437.537 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255594944 GBIBWSAVIQYTEN-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255597969 UIDPLDFPVMMNEY-XMQYKBBCSA-N 432.330 1.552 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255649272 ILENPIHKEWSTAL-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2255707674 ZNMMKTSLKXZZMJ-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(F)(F)F 2255826025 JGAUSWZCVKEXDG-LLVKDONJSA-N 448.251 1.894 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255827327 WVWJJZGLCLEXRC-UHFFFAOYSA-N 444.288 1.941 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)o2)OC1(C)C 2255845006 FMIKPFHBXRKPNR-GOSISDBHSA-N 425.338 1.783 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)c2)OC1(C)C 2267278965 DWHZCFNDAJJKQI-WHOFXGATSA-N 441.259 1.986 30 10 IDEE Cn1cc(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267499383 SKPDYBZBSSPDMW-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267586723 NSVYTVKYNCWFQL-RTBURBONSA-N 434.349 1.980 30 10 IDEE COC(=O)[C@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2268668241 CWFWCMYCIJKUER-AWEZNQCLSA-N 449.313 1.776 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303112128 PSVJZQMPHDFPJI-FQEVSTJZSA-N 425.335 1.712 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2334388578 BABHBQAPMLRVHV-BRWVUGGUSA-N 448.325 1.265 30 10 IDEE CNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 14160998 NKPMPFJZMONJTC-UHFFFAOYSA-N 441.561 1.912 30 10 IDEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2sc(=O)n(C)c2C)cc1 71539669 OHCUFIFANYVWEC-UHFFFAOYSA-N 426.520 2.000 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)cc1 238872101 NDTJQLQLMYNOPP-WKILWMFISA-N 429.502 1.719 30 10 IDEE N#Cc1cc(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)ccc1F 433443066 KQQOCBMYYCAWDO-KRWDZBQOSA-N 449.479 1.832 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1cccc(C)c1C 441191902 UVNOHWDNUWGMLO-VURPSTOHSA-N 427.501 1.975 30 10 IDEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCNC(=O)CC1 460571506 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N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 512429111 CBXMHMKXXRMLTP-IBGZPJMESA-N 434.500 1.465 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCOC1 541082840 MGOQTFSAGPSEIL-LBPRGKRZSA-N 445.522 1.788 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)CC1 543046085 HYJSGGWFCJGVGE-UHFFFAOYSA-N 430.488 1.512 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 564404473 XDFSKOXDCNVTPC-UHFFFAOYSA-N 440.469 1.080 30 10 IDEE COc1cc(CNCCS(=O)(=O)c2cccc(C#N)c2)ccc1OCC(=O)N(C)C 576532339 NVCWXEJZCYALNL-UHFFFAOYSA-N 431.514 1.597 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccnc2N2CCC(CO)CC2)c1 577990952 IQXUIOZWKNJTDE-UHFFFAOYSA-N 429.502 1.079 30 10 IDEE Cc1cc(C(=O)NC2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)c(C)o1 586861899 CONSRXVEZZXYRS-UHFFFAOYSA-N 426.448 1.944 30 10 IDEE CCOC(=O)C1(O)CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 610113214 BLZKZZFRHCFIBT-UHFFFAOYSA-N 442.472 1.939 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(OC)c1 614537651 TVKGQQZXNYMTDN-UHFFFAOYSA-N 448.501 1.960 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727417817 JTDRPDZJSRYGMI-UHFFFAOYSA-N 434.477 1.019 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2ncnc3sccc23)CC1 732465762 IDSIRTFKGFBOGJ-BMRADRMJSA-N 427.490 1.049 30 10 IDEE N#C[C@H]1CN(C(=O)NCCCNC(=O)c2cccc(Br)c2)CCN1C1CC1 732699556 BJKSPNSDHBRIGZ-KRWDZBQOSA-N 434.338 1.951 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(C(=O)NCCN(C)C)CC3)ccc2c1=O 733168549 LXPCHDAGIKFSJT-UHFFFAOYSA-N 443.573 1.401 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(I)c1 739945048 LASGGKOFQGSHJA-LBPRGKRZSA-N 439.296 1.102 30 10 IDEE COC(=O)[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1ccc(C#N)cc1 740239977 ZVWTWYUMBIMIDO-NHCUHLMSSA-N 447.447 1.791 30 10 IDEE CNC(=O)c1cccc(OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 758492515 OMADVPOPSCATCQ-CLCOLTQESA-N 444.513 1.877 30 10 IDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 767694876 GVQUFJDMEOUYTC-MRXNPFEDSA-N 436.530 1.868 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 769720684 VLKMWHNGRYNFIS-YIKOMLBNSA-N 435.230 1.397 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@H]2CC(=O)OCC)ccc1F 774075026 SMPCPTIYDZBRHV-GJZGRUSLSA-N 428.482 1.473 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1 780857417 SGTGZSGLNSQMEP-FQEVSTJZSA-N 445.497 1.142 30 10 IDEE C#CCN(C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)[C@H]1CCS(=O)(=O)C1 787146078 XKEQEPFKZVCEHR-GJZGRUSLSA-N 436.534 1.397 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 788824352 MIJCADQZOIVQKF-UHFFFAOYSA-N 430.530 1.508 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 793020605 LZFVRRZNWLZFHP-IUCAKERBSA-N 433.412 1.976 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2c(Cl)cnn2C)c1 797429457 QNEKNVJWXKNMQJ-RGEXLXHISA-N 431.927 1.687 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)ccc2c1=O 804690620 CANJATCQOFGDMG-AWEZNQCLSA-N 436.559 1.415 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 809896145 FPHFWSVOLCWPGI-HUUCEWRRSA-N 441.554 1.396 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H](C(F)F)C1 813806244 MSYAVAJVZKEKGE-JTFSYWPOSA-N 428.436 1.616 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN(c3ncccc3C#N)CC2)C1 816483053 CWNBNQXTXZOVPZ-SFHVURJKSA-N 442.564 1.839 30 10 IDEE COc1cccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)c1O 1084446292 PPTUQJDIJOXBRJ-UHFFFAOYSA-N 427.490 1.561 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@H](Cc2ccccc2)C(=O)OCC)C1=O 1125954640 AZAFLBMVVZMUAU-QGZVFWFLSA-N 427.457 1.129 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1135523768 QFXWZFDCTHEZTM-UHFFFAOYSA-N 429.454 1.085 30 10 IDEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156669804 IWSBBBNMHFAWCY-QJNYJZHLSA-N 427.523 1.144 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(I)s1 1208474014 NNBZEHVAVPMGIU-VIFPVBQESA-N 447.341 1.717 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1234635887 DCVUYFVASQUGNX-FGTMMUONSA-N 434.537 1.421 30 10 IDEE CCOC(=O)c1c(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c(C#N)cn1CC 1276335807 CLKYRYKPNOAGHY-UHFFFAOYSA-N 438.531 1.962 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286324937 RGXZVHMPJAUPAK-ZHRRBRCNSA-N 428.537 1.790 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286390687 BBRMVSXQHYDXTO-HNNXBMFYSA-N 433.500 1.666 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1286727308 PDDFJVRGLBEMIV-IBGZPJMESA-N 442.545 1.830 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286787402 FLTNCSZTHZJRRF-PKOBYXMFSA-N 433.553 1.844 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286833082 UXGFABDELRPRQE-CVEARBPZSA-N 441.623 1.594 30 10 IDEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1287018902 GIBWABPQOXRVAZ-FUHIMQAGSA-N 430.553 1.971 30 10 IDEE COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2I)C1=O 1288996670 KRDGHGOJKAXVEU-LLVKDONJSA-N 441.225 1.513 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)c1 1291814571 OHGNQALPLXWIGA-RDPSFJRHSA-N 435.480 1.885 30 10 IDEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C 1297116630 DADOLKKWNCEUEX-UHFFFAOYSA-N 444.561 1.871 30 10 IDEE CN(c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1298133902 GILUETRUZHIAMA-NXHAUGRDSA-N 426.452 1.836 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1299857502 ZTQTWOPKCDALDA-UHFFFAOYSA-N 427.482 1.487 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1300303422 IVOYFBZWXKFOTA-QZTJIDSGSA-N 449.559 1.618 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300392247 PEPJYYXEMGQCEP-AWEZNQCLSA-N 430.871 1.298 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccnc1)C(C)C 1300466579 YGNUDVMVNHWYOR-MOPGFXCFSA-N 446.577 1.515 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1300487044 DXUDWWQBKIWJLE-NLWGTHIKSA-N 441.557 1.948 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300489402 NHVUZZZXQRLSJY-RXVVDRJESA-N 427.530 1.604 30 10 IDEE C=C(Br)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1300862868 GULIYBAJEMMHMT-KRWDZBQOSA-N 443.346 1.300 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301470272 XOZXEYGSVVRWJQ-UHFFFAOYSA-N 428.468 1.109 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301608882 AZRZXGWIZWQTCA-JXFKEZNVSA-N 431.566 1.634 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302497313 GBFGYVUAHNGZRT-KRWDZBQOSA-N 449.606 1.046 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CCO1 1303009048 CZOHMEMOUDEUAJ-KRWDZBQOSA-N 433.896 1.781 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1309573299 MDVCVRJINDWGBZ-KRWDZBQOSA-N 428.532 1.095 30 10 IDEE CC[S@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1314566880 MSBFDSKNGHAAOV-HKBQPEDESA-N 437.533 1.097 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1315823164 DUJTWWUCQKWZBE-RDJZCZTQSA-N 437.497 1.337 30 10 IDEE C#CCN(C(=O)Nc1ccnn1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1325926010 DHUNANPFRXDVHR-INIZCTEOSA-N 432.502 1.603 30 10 IDEE COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2csc(C#N)c2)c(O)nc1=O 1350272000 GEAKXKGHYXXLDG-UHFFFAOYSA-N 425.470 1.958 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CCC)CCC 1358890718 URVYPMZUPJCRAP-IRXDYDNUSA-N 441.598 1.400 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1358912892 AHUDKKTXJIAKJV-ZWKOTPCHSA-N 439.582 1.277 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1358937840 JCMAIXPAZHTDMV-QFIPXVFZSA-N 440.935 1.942 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359056116 YLMJFYCDTXQBFF-DLBZAZTESA-N 440.577 1.491 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1359300104 UDRZELYNIPWDNH-SJORKVTESA-N 446.458 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359333575 CCLALHCRGVODGZ-DYESRHJHSA-N 447.561 1.249 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359347469 LYJXHBOAUSPKKR-FOIQADDNSA-N 434.566 1.863 30 10 IDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(F)cc1 1360568498 CTYIMOIOSMMDTD-IIDMSEBBSA-N 449.508 1.516 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1444583593 PIECUJLPNVIVFJ-IBGZPJMESA-N 426.561 1.814 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(CC(=O)OC)CCS(=O)(=O)CC3)n[nH]2)c1C 1448000869 FENPPTTTZBMUKS-UHFFFAOYSA-N 449.533 1.316 30 10 IDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1451312176 YWNDOGIGZZDCFR-NVXWUHKLSA-N 426.477 1.025 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2ccc(C#N)s2)C1 1461010267 OUJLQPUFRHAGDR-KZULUSFZSA-N 425.532 1.518 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1472411102 JOXNIMRGHIBQDS-HZPDHXFCSA-N 425.526 1.733 30 10 IDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1503616913 YLKDSEVUDXRVGV-HXUWFJFHSA-N 437.504 1.867 30 10 IDEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)OC(C)(C)C 1505279918 HAGGAYGZCOIPAC-SOLBZPMBSA-N 445.568 1.872 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC=CCC3)n2CCS(=O)(=O)N2CCSCC2)c1 1505319157 WEIVMDVBCPJCHT-UHFFFAOYSA-N 444.586 1.962 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1507515416 HFPHORJBTUCYBZ-IRXDYDNUSA-N 441.561 1.639 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(C)n1 1507699769 KOJRNKQOHINFAG-UHFFFAOYSA-N 445.462 1.881 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC(=O)Nc2ccccc2)CC1 1507741011 IVDBWBOANMIBLY-UHFFFAOYSA-N 438.532 1.809 30 10 IDEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 1507921445 VAJAITNPNKAZRZ-OALUTQOASA-N 437.548 1.990 30 10 IDEE C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508068243 VVUPMTVQICJNLD-IYBDPMFKSA-N 434.541 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1508145716 OUJQVDCYGOMRKW-UHFFFAOYSA-N 425.555 1.546 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1508185418 HOSGLYZESSKTBS-GOSISDBHSA-N 434.508 1.198 30 10 IDEE CC(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1508877004 HOPUJOUFYMLZTJ-BEFAXECRSA-N 440.545 1.489 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@@H]1C 1509187560 WDNHPTMWCHSOHX-INIZCTEOSA-N 425.537 1.732 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509633072 CGPVDKPRERWVCH-QFPXGYFVSA-N 427.509 1.179 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1515856850 HCWXGWZPSSISER-RBUKOAKNSA-N 428.562 1.924 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1519330367 RNRCXAQYMCHWGG-CRAIPNDOSA-N 438.492 1.564 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@]3(C)CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)C1=O 1534412806 RSUHEAHGRNHJBQ-OYRHEFFESA-N 434.493 1.069 30 10 IDEE C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(S(C)(=O)=O)cc1 1535629183 RJLJAYZOWKJZCQ-OAHLLOKOSA-N 449.554 1.816 30 10 IDEE CN(Cc1cc(C#N)cs1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1538810240 TXPNBHIOPFOAPO-UHFFFAOYSA-N 448.570 1.979 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCOC2)c1 1539043351 PAJWUQLEOGNMFC-PKOBYXMFSA-N 436.516 1.712 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1539389830 DNJPYMLIELVWAK-LAUBAEHRSA-N 429.521 1.876 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(N(C)C)CCC2)CC1 1539459239 AGZOJFYCRLPYJI-UHFFFAOYSA-N 441.605 1.509 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2noc(CC)n2)CC1 1539484264 JHLBQILLYRNXLJ-UHFFFAOYSA-N 448.531 1.418 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1540863320 TZXAPPMGKYCXDP-ZHRRBRCNSA-N 445.495 1.855 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1540928632 GPDMMSTZDKLKJQ-UHFFFAOYSA-N 433.520 1.946 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCSCCCO)CCOC1 1541725806 OYBHNLSTVMMLBT-MOPGFXCFSA-N 427.546 1.876 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1545929269 VPGDHRUQAHWVIW-CSODHUTKSA-N 432.525 1.263 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccccc32)CC1 1556504171 NLEYYUSAHHCGOK-FQEVSTJZSA-N 440.544 1.415 30 10 IDEE C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1CCN(c2ccccc2)CC1 1563443452 BQUHNGXNSUVZOI-FQEVSTJZSA-N 433.560 1.996 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 1566263586 AJEYFMDBELKBSW-QZTJIDSGSA-N 444.532 1.012 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588034965 NVSCVDWMIPNCHK-ZBFHGGJFSA-N 425.555 1.469 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNS(C)(=O)=O)CC1 1588768327 FBNRMRHVZCHOAV-UHFFFAOYSA-N 444.605 1.547 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588908135 KWZNBFBTWFFXOA-RTWAWAEBSA-N 437.544 1.962 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1589089351 RCNAQXJXNMSKEU-UHFFFAOYSA-N 448.618 1.732 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1593690025 HLCNINDWQPXDSC-UHFFFAOYSA-N 446.512 1.955 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1593768481 FIUYLKWMJOQVSA-FPOVZHCZSA-N 448.612 1.786 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1610293370 IMSJUPXXPSWOJH-UHFFFAOYSA-N 449.537 1.074 30 10 IDEE COc1cc(I)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611164807 IRYHFGBVAUBWIO-BONVTDFDSA-N 446.266 1.310 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1611816473 KMRASBPDJKHTPC-OAQYLSRUSA-N 443.483 1.564 30 10 IDEE COC[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619721735 MLVAAIAERZIYME-MODMUFLJSA-N 437.504 1.263 30 10 IDEE C#CCC1(NCC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)CCOCC1 1620593121 GMFCFZSTWQRZMN-UHFFFAOYSA-N 445.564 1.769 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(Cl)c2C(=O)OC)n1 1622096813 AKXRNHSIJSTEHI-UHFFFAOYSA-N 425.894 1.794 30 10 IDEE C[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(=O)OC(C)(C)C 1627431545 BAKUBRMTJCEOCU-GDBMZVCRSA-N 435.546 1.942 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3c(c2)COB3O)CC1 1627454787 LXVSUUMSRINPNH-LJQANCHMSA-N 440.106 1.689 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c2ccc(F)cc2O1 1631839052 MCJUTOZGVMLOPU-INIZCTEOSA-N 447.444 1.222 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCOc1ncccc1C(F)(F)F)c1cc[nH]n1 1632078812 IUUABBZIVLRAAP-UHFFFAOYSA-N 429.355 1.303 30 10 IDEE CC(C)(C)OC(=O)C1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1633844313 OFPVJILMWPAQLI-UHFFFAOYSA-N 437.518 1.122 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1639701053 LBKRIXNLTJMYSN-WMZOPIPTSA-N 448.545 1.543 30 10 IDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1642341017 QVNMUZZSVNOWAL-LJQANCHMSA-N 446.573 1.722 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC#CCN(C)C)cc2)cc1 1643409769 SUTOBYQJTLCENT-UHFFFAOYSA-N 427.526 1.663 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1647808248 SXVIRODNNXUCMR-INIZCTEOSA-N 426.560 1.443 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC1 1650846060 IGIVXPYTTXJPRH-FQEVSTJZSA-N 449.479 1.697 30 10 IDEE CC#CC[C@H](CO)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1654703274 GGEAXXJYRLYQRR-IAGOWNOFSA-N 444.557 1.435 30 10 IDEE COc1ccc([C@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCO2)cc1OC 1655890711 JJQSTRZJINTPKJ-DENIHFKCSA-N 430.549 1.769 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1)C(=O)OCC 1665496386 BOUNHPSLCMQDPB-AWEZNQCLSA-N 433.866 1.612 30 10 IDEE CN1CCN(c2ccc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2)CC1 1671495501 RYGPTDOBDNDQIQ-ICSRJNTNSA-N 442.564 1.997 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3cc(F)c(F)cc3Br)C2)c(=O)nc1O 1672510984 HOKVDCGFMZFIAO-UHFFFAOYSA-N 440.204 1.628 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1675618739 WPNYEJSMTLKBOQ-INIZCTEOSA-N 438.550 1.323 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)C1CCN(C)CC1 1682389655 NUVDFNXNEJVEES-FQEVSTJZSA-N 428.533 1.544 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1690112180 QVEYWJTXUDKOCW-LEWJYISDSA-N 432.613 1.878 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690235087 WPLYBKQFJLCFGJ-RDGPPVDQSA-N 433.553 1.735 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1691567776 DCWBXCRNZCEHGV-QHCPKHFHSA-N 438.532 1.947 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694116766 XFAPHIIUXLGGLC-MCYOWCNASA-N 445.524 1.595 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1695438982 XNKUPOBZTHHUIR-HNNXBMFYSA-N 425.493 1.620 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1696618672 JAYGPOXCHHLLFC-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1696839499 ZSLLMOWYSQWWSQ-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCOCC1 1705489648 SVAJIWUOXSXWCX-INIZCTEOSA-N 446.577 1.628 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1705571386 YPGXPMGRSZOARX-KRWDZBQOSA-N 432.546 1.866 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1705573878 PMSXFVMENOFMOH-INIZCTEOSA-N 438.513 1.664 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1705598402 JBQLAWUDCCHJQI-LJQANCHMSA-N 441.557 1.614 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1705620115 LUNZUNZIGCXBMH-SFHVURJKSA-N 442.520 1.925 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1705625454 KZQVESIVHPPCFH-AVRDEDQJSA-N 427.480 1.814 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 1705628510 JHEWKOLBBPERPQ-ROUUACIJSA-N 449.552 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1705649451 YEHOGFVLLWAOMN-AZUAARDMSA-N 437.548 1.626 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1705674292 FBHKGHWYQSINGH-GPMSIDNRSA-N 439.607 1.499 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC)CC1 1705700468 UCNXJDZUAGBRKY-AEFFLSMTSA-N 427.509 1.995 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705735163 KQALAPPYORSEAE-MSOLQXFVSA-N 446.552 1.531 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705751914 BRPVLUWAWBPYKT-ZDUSSCGKSA-N 437.957 1.658 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705936711 XADCDAMCHLNRCY-HZPDHXFCSA-N 426.539 1.162 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705991682 DLAALDHGZQUJEJ-CZIZESTLSA-N 427.509 1.131 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1C 1707542650 HUULVDSRUOGTDW-VXKWHMMOSA-N 428.512 1.983 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCN(C)C 1708526461 XPCIGVBQKIMHCP-SFHVURJKSA-N 426.569 1.963 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1708728668 BSZDAKMLADTJHD-QGZVFWFLSA-N 426.518 1.216 30 10 IDEE CC[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1CCOC 1709346771 CDEZWLBVUXDOFC-JLUOLNIDSA-N 443.552 1.229 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712249032 XNOQBQCZXUNWSQ-QQMHEVNUSA-N 437.504 1.729 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1722367713 WYHVDDJMZWCDSK-DLBZAZTESA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722368146 ZBNBOZDAJGTJQS-WMZOPIPTSA-N 440.566 1.055 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(N)=O)C1 1722492483 BHFAVNLAYBLRRW-XYJFISCASA-N 432.569 1.879 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722547761 SVXVFBGFCMMSRB-AWEZNQCLSA-N 443.899 1.950 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1)C1CC1 1722643768 AGLQQLSMDQQXPH-LJQANCHMSA-N 429.613 1.943 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1722672483 RRBBSGMEHVXFBN-SFHVURJKSA-N 432.550 1.541 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722694691 DWZPQCHNWUGJQK-MRXNPFEDSA-N 433.534 1.269 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722699004 QIIKDDRVDQUPIY-OAQYLSRUSA-N 449.559 1.668 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722701653 YZKATKXNBIORDU-JPYJTQIMSA-N 425.533 1.750 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCCCC2)C1 1722710456 JCAZVMHTJWTJJO-HOTGVXAUSA-N 427.571 1.365 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)[C@H](C)CC)C1 1722719452 UMGOCKNCERXTKO-KZNAEPCWSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)C1CC1 1722726380 DFNBYKKMCAPJRW-SFHVURJKSA-N 429.546 1.999 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723643696 QBNHKCZWWBLDKT-QZQOTICOSA-N 443.552 1.498 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726937706 QNWAOXWOCAXTES-DSGGYQJVSA-N 443.552 1.671 30 10 IDEE CC[C@@H](C)N(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1727084011 BLUPLKQWDMQJGD-JYRKZWEQSA-N 445.612 1.909 30 10 IDEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1727237893 BMYUOXDXINMFEI-KRWDZBQOSA-N 426.525 1.435 30 10 IDEE CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1728501020 AZHBKTIHHGYIOL-SFHVURJKSA-N 444.561 1.562 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNc1nccc(C(F)(F)F)n1 1740559186 YFXUPFSMSIDUMP-CYBMUJFWSA-N 436.442 1.779 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740589994 HNPQIGHIQUGEOP-NNWRFLSQSA-N 442.608 1.964 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740621544 NGARROKGXRGRID-RBUKOAKNSA-N 444.605 1.785 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1740640114 ZBNTVHPUEHZZPZ-OALUTQOASA-N 431.606 1.764 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1740640809 XAYFLCIUQFWNOH-IBGZPJMESA-N 442.564 1.755 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1740657587 TWYHQBLZLMEPGI-ROUUACIJSA-N 440.525 1.483 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(Br)cs2)CC1 1740694595 NZGKWJKBRATZSR-HNNXBMFYSA-N 449.378 1.857 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1740900557 RSYRXIKUKBLZEH-LDSGZGKSSA-N 436.472 1.939 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cc[nH]n1 1740917406 RFAGJVVLXXEUKY-UHFFFAOYSA-N 448.531 1.860 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1740966975 ZDWKLUDNKCYMCH-QHCPKHFHSA-N 440.548 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OCC)CC1 1740992329 FGXPATUGFDICND-UHFFFAOYSA-N 448.549 1.143 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740992834 OKECPSXHHZLSIO-LAUBAEHRSA-N 447.561 1.249 30 10 IDEE CC(C)Cc1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741440031 HBUOCOZYTPBEOY-MRCUWXFGSA-N 438.536 1.906 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCc1ccccc1 1741675706 JIOUDZUWYIWASB-FQEVSTJZSA-N 437.548 1.810 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cc1 1742283153 FKVHCHGKZTWQNF-FQEVSTJZSA-N 434.500 1.950 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC(OCC)C1 1748650769 DMMWLZWWBDKWGC-NNDYNSRJSA-N 432.546 1.737 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC(C)C 1748671136 GHEFAWIRCBABCS-SJORKVTESA-N 443.639 1.848 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1748779787 BDSQQTOGEYDKBN-UHFFFAOYSA-N 435.575 1.402 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748814244 BRICYWLHQKORBG-NYUBLWNDSA-N 438.594 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccn(C)n2)CC1 1749016620 HSFQKICYSJURII-UHFFFAOYSA-N 431.544 1.925 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCC[C@@H]2C)CC1 1749017096 VWNACROECOZVBX-IBGZPJMESA-N 435.576 1.714 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC 1749067753 WITRCHHSTDSJCX-VQIMIIECSA-N 425.555 1.030 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1749668741 DOMZVNWAAQSVKD-INIZCTEOSA-N 441.492 1.319 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1751316124 PMCULLUBBFWPPK-SFHVURJKSA-N 435.488 1.714 30 10 IDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1760138612 CTCSLEGXMZYBSA-INIZCTEOSA-N 432.525 1.326 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1760192140 RJVWYVVBMVZQEH-SFHVURJKSA-N 448.618 1.686 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)CC1 1760253398 DUONBUCFKQVFJA-SJLPKXTDSA-N 426.496 1.591 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760333554 HFGQTUPFRDGMLS-DMUMMCEESA-N 444.580 1.904 30 10 IDEE C=CCC(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760413867 XJHBTZXKRNKJKN-IBGZPJMESA-N 436.560 1.927 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O 1760457609 ZDSOWCPMDGNTKU-KRWDZBQOSA-N 438.575 1.938 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC 1760475596 NFMVGOUGUIAMQI-UHFFFAOYSA-N 426.521 1.851 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCO[C@@H](C)C2)C1 1760544461 ALRPYCXZSXHYJW-AZUAARDMSA-N 429.569 1.961 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCC)CC1 1760554000 ODDAQEXIWUPCEE-KRWDZBQOSA-N 438.598 1.141 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccoc1C 1760554443 DSGAHLRNINKRLO-INIZCTEOSA-N 442.563 1.319 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1760687178 GNGYMYKSWIMXML-KRWDZBQOSA-N 439.568 1.547 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1761285263 YLEHTHWXWGGIBX-RTWAWAEBSA-N 434.516 1.806 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1762775925 KCTKDQSZIOIAMC-NHWLHPCLSA-N 429.525 1.568 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1765012371 YECJDOLBXUEOFX-QQMHEVNUSA-N 441.536 1.252 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)CC1 1765509160 YKTMKZMFOINWFG-MDPIYQRISA-N 449.575 1.470 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1768146282 QZLKUZBSERXDEO-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE COc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1768307059 FTIRAJJOSMWFQE-IERDGZPVSA-N 431.468 1.652 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1769275186 GHMMJGDVFSOODL-UYAOXDASSA-N 428.512 1.960 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1770040416 PWTCKVVQEUXISD-GJZGRUSLSA-N 432.481 1.792 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1770678067 AJRQGIUVJGKDGJ-HNNXBMFYSA-N 441.517 1.247 30 10 IDEE N#Cc1cnc(C(=O)N2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)c(Cl)c1 1852338476 YQPXXSRHPJTOOA-UHFFFAOYSA-N 425.820 1.151 30 10 IDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(Cc4cc(F)cc(F)c4)C3)CO2)nc1 1852465569 NBAJCQZRDVKGCP-MAUKXSAKSA-N 428.395 1.944 30 10 IDEE C=CCCN1CC[C@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1854238886 UFXHGWDKZKBQDW-KRWDZBQOSA-N 439.965 1.435 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccccc3Cl)C2)CC1=O 1856787968 VOAQUEKWFBIMRQ-CABCVRRESA-N 428.894 1.363 30 10 IDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)c1 1862556855 GIUJQWYPZUCFFP-HXUWFJFHSA-N 439.468 1.591 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)nc(Nc2ccc3n[nH]cc3c2)[nH]1 1871626850 ACODZWSVWJCOLY-UHFFFAOYSA-N 435.536 1.836 30 10 IDEE C=CCNC(=O)[C@H](C)S(=O)(=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882498212 ULMGOOIXARVOPG-ZFWWWQNUSA-N 426.491 1.250 30 10 IDEE O=C(N[C@@H](C[S@](=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883403625 XQKVTYYYBALETK-WENCNXQZSA-N 427.478 1.723 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cs1 1889515634 JYMUDAWMUIUIAU-UHFFFAOYSA-N 441.561 1.802 30 10 IDEE COc1ccc(CCNC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890335982 QGYMZFGSUOOJLT-UHFFFAOYSA-N 428.577 1.679 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC(COc3cccnc3C#N)C2)c1 1891892087 BEJIVULUWYRTNG-HXUWFJFHSA-N 440.525 1.952 30 10 IDEE CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C1CN(c2nccnc2C#N)C1 1892112941 WYDZXSXISFTATJ-UHFFFAOYSA-N 446.558 1.158 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2N)CCN1Cc1ccccc1 1914860413 FDQXQEMIVYXQQQ-OAHLLOKOSA-N 436.335 1.825 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060625750 NQXACVXXONSOHR-XGUBFFRZSA-N 438.330 1.993 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637412 LANUNBPGUVKHCF-CFVMTHIKSA-N 430.314 1.970 30 10 IDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124522460 SUXKPGCECAPXPC-UHFFFAOYSA-N 448.329 1.740 30 10 IDEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124522891 YZSRJXQVYOQISO-HIFRSBDPSA-N 448.329 1.739 30 10 IDEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243675590 YMJSXHVKHLEDJZ-LLVKDONJSA-N 427.332 1.903 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2243715641 BLDIUMHLSPHJCE-JTQLQIEISA-N 426.304 1.139 30 10 IDEE Cc1cc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2248404178 KRZDNCSOZRZTJN-AWEZNQCLSA-N 440.371 1.858 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255602576 UTAODGHGEKOKCA-LLVKDONJSA-N 430.236 1.240 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631440 YWZMYTWHZSCRGV-CYBMUJFWSA-N 438.309 1.644 30 10 IDEE CO[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255665578 HYGVXRFJWWASFI-KBPBESRZSA-N 436.318 1.073 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255822789 PRNSYWDCJAZEJX-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE Cc1c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255831826 CKXBYAXNPJKTRY-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)nc2)OC1(C)C 2255879617 RSFWCERHFAGAOF-QWHCGFSZSA-N 425.216 1.368 30 10 IDEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256625038 RADYNGILLKUXHS-QGZVFWFLSA-N 434.342 1.830 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256882230 HOLPBASRNICAEP-CABCVRRESA-N 437.321 1.984 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2256920229 LRIROOZJYZINOG-UHFFFAOYSA-N 427.310 1.925 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267128447 QWCUHDGYRVPIBA-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2267275498 OUESDKJRNLDRNL-JOCHJYFZSA-N 449.357 1.426 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](O)C[C@@H](F)C3)cc2Cl)OC1(C)C 2282305296 WSBZBFCUBAWLKH-ZJUUUORDSA-N 425.740 1.794 30 10 IDEE CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(C=NC(CO)(CO)CO)ccc12 2297499053 ZAQXLLBCEQKFIY-UHFFFAOYSA-N 428.894 1.824 30 10 IDEE CCCC/C=C/CCN1C(=O)[C@@H]2[C@H](c3ccccc3C#N)N[C@](CO)(C(=O)O)[C@@H]2C1=O 248235180 BUDWEQGGYOXSBZ-VVAIBMOQSA-N 425.485 1.756 30 10 IDEE C[C@H](C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)n1cnc(C#N)n1 409745189 ZCAGREFVUKSDJG-CYBMUJFWSA-N 426.458 1.618 30 10 IDEE COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)ccc1C#N 427143796 PFOACOKRWUYVCQ-AEFFLSMTSA-N 433.461 1.146 30 10 IDEE Cc1c(C#N)c(NC(=O)CCN2CCC[C@]3(C2)NC(=O)NC3=O)n(Cc2ccco2)c1C 434799435 SNMZWAJEYFHJRW-JOCHJYFZSA-N 438.488 1.621 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460806815 YCLJEAQPCJUPOA-HNNXBMFYSA-N 431.566 1.871 30 10 IDEE CCO[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C12CCC2 466055237 MRJJTSIMXYIEFK-MOPGFXCFSA-N 432.546 1.922 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 487445734 NPWGZCRQTLARTA-GJZGRUSLSA-N 439.497 1.140 30 10 IDEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 487959610 RUNOAXXUWVBECC-LJQANCHMSA-N 429.473 1.876 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1C#N 489884198 JPXHTJUPTUYURW-OAQYLSRUSA-N 425.558 1.843 30 10 IDEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)CC1 493506208 FHAOFTCZRHQCLE-QGZVFWFLSA-N 434.924 1.209 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1noc(-c2cccc(F)c2)n1 505883422 AVSZNZAMUSIJLP-LBPRGKRZSA-N 429.433 1.731 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@H](CC)C1 508831316 BJKQEYQJYRRHHT-QGZVFWFLSA-N 447.609 1.971 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@@]3(CCCOC3)C2)CC1 510589562 FOCQPNJXIIKCRA-QFIPXVFZSA-N 441.488 1.336 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)Cc3cccc(C#N)c3)CC2)cc1 530674694 QAKADLTXNQAWRT-UHFFFAOYSA-N 426.542 1.532 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCOC3)c2=O)c1 540695768 FBINDTAJBSVQJX-MRXNPFEDSA-N 441.553 1.777 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c1 540697444 ZLMLHNPUPFYCHG-UHFFFAOYSA-N 446.532 1.452 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543659589 VPKGDPGCCPGSCJ-UHFFFAOYSA-N 426.498 1.662 30 10 IDEE CCOC(=O)[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1c(C)nn(Cc2ccccc2)c1C 545282853 OZYILJIQDFGLMJ-OXJNMPFZSA-N 435.488 1.993 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)cc2C1=O 545303238 RQESFDURDVIMOR-UHFFFAOYSA-N 433.464 1.871 30 10 IDEE CC[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(S(N)(=O)=O)c1 546175027 CGQCKIIGYPCMAW-GOSISDBHSA-N 428.518 1.584 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1 603937380 ODGALPWMZOEFJZ-OAHLLOKOSA-N 433.515 1.578 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 610156966 BEPNUBFMNPPGTI-HXUWFJFHSA-N 433.512 1.919 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 611532802 XKKUWLZTQBRSCD-UHFFFAOYSA-N 441.513 1.400 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668992 WYOYHULDSRERMJ-UHFFFAOYSA-N 441.516 1.411 30 10 IDEE CN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2Cl)CC1 732707110 URPYEARJDHDRPB-QGZVFWFLSA-N 430.940 1.229 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC(=O)N2C)cc1 734966801 MZQBCVJQUAOBBM-QUCCMNQESA-N 427.482 1.732 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cc(C)ccc3F)c2=O)cn1 735068342 HVBMKDYQVGAISG-UHFFFAOYSA-N 425.489 1.202 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742655876 GAHOMUKWEZIFSE-RHSMWYFYSA-N 426.498 1.425 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 753177769 DGZPNPNKFJRTHN-UHFFFAOYSA-N 437.566 1.761 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1Br 755072837 SPXGNRRSXWYQGC-SNVBAGLBSA-N 426.741 1.914 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@@H]2CCN(C(=O)NCC)C2)c1 760324372 XOFUSXZHJXAZLT-IAGOWNOFSA-N 427.530 1.539 30 10 IDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 767692325 WTVDOUAVMOUOPQ-INIZCTEOSA-N 436.530 1.868 30 10 IDEE C#CCN(C(=O)NCCCc1nnc(SC)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 774225489 JOPPBYUOYFPWEN-HNNXBMFYSA-N 427.596 1.421 30 10 IDEE CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 774820419 KFAKRTFFTXMVHM-UHFFFAOYSA-N 427.486 1.229 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)C(=O)C1 777394331 ZXHONPWNNAJBCD-ICSRJNTNSA-N 442.516 1.662 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(cc1Br)NC(=O)CO2 782405261 NPMBLUXAOZOUFY-MRVPVSSYSA-N 426.223 1.337 30 10 IDEE CCc1nc(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 791209788 NPHMWSURMVHYID-UHFFFAOYSA-N 430.534 1.592 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cn2c(C)nnc2-c2cccc(C#N)c2)C1 792713247 UQYWPAGNTNNEHC-LJQANCHMSA-N 432.550 1.455 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C[C@H]2CCCCN2S(C)(=O)=O)C1=O 795183974 RKEJYPOXQSAIEO-KGLIPLIRSA-N 444.604 1.630 30 10 IDEE COC(=O)c1c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)sc2c1CC[C@H](C)C2 798746056 YBNLUKGVYLDEOZ-WDEREUQCSA-N 431.474 1.866 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCN(c4ncccn4)CC3)n2CC)n1 812037970 CJHQWLXCUIEHOR-UHFFFAOYSA-N 449.563 1.955 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCc1cccnc1C#N)n2C 813160923 ZOVXJSMPYLAYDB-UHFFFAOYSA-N 427.486 1.766 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)nn(C)c2C)c1=O 838643587 DARIACQAGDOOGY-UHFFFAOYSA-N 449.580 1.833 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1 842219368 MOQIUMLWIIRGFM-UHFFFAOYSA-N 425.507 1.400 30 10 IDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 917130042 JCINWYGGVUUVMQ-AWEZNQCLSA-N 435.527 1.722 30 10 IDEE Cn1c(=O)c2cc(NC(=O)COc3ccc(C#N)c(Br)c3)cnc2n(C)c1=O 1124532527 GLBIRSCZSINSQW-UHFFFAOYSA-N 444.245 1.284 30 10 IDEE COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)nn1 1125239073 UYSBOGQAFQXYRP-RELWKKBWSA-N 434.522 1.770 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)C1=O 1130521160 PUNLLVNZOJLPQI-JOCHJYFZSA-N 429.473 1.379 30 10 IDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1132004463 GFPONVJOAXLXNS-LJQANCHMSA-N 429.498 1.527 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CS(=O)(=O)N(C)C)cc3)cc2C1=O 1133379590 WAMKZZYRHGFRCZ-UHFFFAOYSA-N 441.509 1.790 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1Br 1155847183 WOQZAAREXHETSJ-UHFFFAOYSA-N 427.276 1.902 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)NCCC1=CCCCC1 1178739180 GQXIZPVWNFCKGN-INIZCTEOSA-N 432.546 1.690 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1 1180420490 LJOGCNBTNQIMSU-MUUNZHRXSA-N 442.607 1.578 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1286386183 WDDAOYUQDMGADG-SJORKVTESA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286394781 WSWMBLXNYHVPJF-OALUTQOASA-N 429.546 1.317 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1286442599 GEOOFXMPNUETSN-QGZVFWFLSA-N 436.516 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NC2CCCCC2)CC1 1286493478 CDZGVFVVJKVGGL-LJQANCHMSA-N 442.564 1.544 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286508849 XYQBPYGFYAJMPY-UHFFFAOYSA-N 444.586 1.817 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(C)=O)C[C@H]1C 1286792417 XCHDQTVTZMSRCU-QGZVFWFLSA-N 440.548 1.779 30 10 IDEE Cc1nc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)sc1C 1289138489 HBWOSUACRHMOIM-OAHLLOKOSA-N 438.517 1.970 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1291804478 QDWDMNWXNMECIA-MWTRTKDXSA-N 435.532 1.838 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1296288413 DCLTWMHFWUJBIF-UHFFFAOYSA-N 447.547 1.051 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1300273310 PXVPWWPRVZLEIQ-CABCVRRESA-N 429.550 1.705 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300485804 YUJWVZDCRIIGGX-IPMKNSEASA-N 437.610 1.387 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300497625 BOKGVUAASYBDIF-AQNXPRMDSA-N 443.573 1.442 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300498535 LJJHIICINCHVGX-UGKGYDQZSA-N 446.548 1.796 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC)N1CCCC1 1300519754 ASISMHFGDDUWRN-FQEVSTJZSA-N 429.532 1.868 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1301381206 VZAFWDGJAUFDFQ-UHFFFAOYSA-N 431.566 1.941 30 10 IDEE C[C@]1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)COc2ccccc2O1 1301395767 RCESAYJIDJOMEW-NRFANRHFSA-N 429.498 1.852 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1301424374 JXCLTNNXJLZIRP-SJORKVTESA-N 440.566 1.362 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1301520278 WARKPWCLAWFVJZ-BULFRSBZSA-N 449.552 1.007 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC[C@@](C)(C#N)C2)C1 1313273963 AJNBIADEOJYMRK-BEFAXECRSA-N 428.555 1.746 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ncccc2Cl)CCOC1 1314137195 ACWWEVVQDKULQW-QRWLVFNGSA-N 448.911 1.786 30 10 IDEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1315467633 DKNFUGSDOPVJEP-FUHWJXTLSA-N 431.518 1.160 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1316031805 CIGYSQGNAOWWEN-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)C1 1323785499 MLMWDEYGYPQUIO-MRXNPFEDSA-N 443.485 1.887 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358895583 MAXLUAOXJFOHBY-WBVHZDCISA-N 426.496 1.342 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1358962529 RHTLHOZVOGDHQB-LJQANCHMSA-N 430.578 1.929 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(S(C)(=O)=O)CC2)CC1 1359034002 YXEHIVYZFRIQCC-UHFFFAOYSA-N 429.546 1.286 30 10 IDEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359220645 DYDNLBRVCFLERR-KRWDZBQOSA-N 440.573 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359334448 GEWJGPIWQORXGA-AWEZNQCLSA-N 449.499 1.336 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H]1c1ccnn1C 1360313203 KBPMSTDDPYMRDB-RTWAWAEBSA-N 440.479 1.068 30 10 IDEE CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439797506 QRNLWQGAJZRQDD-DKZVUGQWSA-N 442.541 1.248 30 10 IDEE Cn1nc(I)cc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1456277199 SASICORLZIMTHN-CQSZACIVSA-N 435.269 1.875 30 10 IDEE C#CCCN1CCN(S(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)CC1 1462920175 CKHSGNFBTSXHCT-QHCPKHFHSA-N 434.381 1.792 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1470615098 IMDMHOHZXGAMQU-HXUWFJFHSA-N 437.475 1.774 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@]4(CC(C(=O)OC)=NO4)C3)ccc2c1=O 1472610821 KYBIIDQHEQBVHF-HXUWFJFHSA-N 428.470 1.405 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1503689378 GWMZTOGFPLSPFP-SFHVURJKSA-N 437.548 1.894 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1507617524 VFQMQRNNMOJRCG-HNNXBMFYSA-N 448.545 1.518 30 10 IDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1507697294 DBTBDCDLIGYZNK-UHFFFAOYSA-N 434.591 1.102 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1507791633 ONNKOJZJGQHVRN-RTBURBONSA-N 444.580 1.846 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1)C1CC1 1507993599 SHIMPAURDKGMDO-QGZVFWFLSA-N 429.546 1.677 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1508081407 YZISBYNNSZXCLR-KRWDZBQOSA-N 438.540 1.106 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508140342 MZGDXJVUUPSWSN-KRWDZBQOSA-N 449.581 1.020 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C)CCC1 1510197325 VPGNFSTYEWRENT-CYBMUJFWSA-N 445.549 1.613 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCCCS(C)(=O)=O 1517124495 IYDNAYQAABYHCO-GOSISDBHSA-N 444.561 1.952 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1519368394 HDUQUDNFEFGWIJ-KNQAVFIVSA-N 426.521 1.125 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 1531580196 NCDRRDQHAPXZSZ-UHFFFAOYSA-N 437.514 1.815 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539213030 ZUQWYHVXVCZHEW-SFHVURJKSA-N 428.562 1.453 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc3c[nH]nc3c2)CC1 1539430566 LLVJPWHXUJMZJF-GOSISDBHSA-N 437.548 1.876 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1539445786 GGAXZUAJIJWQPD-GCJKJVERSA-N 426.521 1.102 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1539669126 LQKWZLXVFVHIEU-FXAWDEMLSA-N 441.598 1.829 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539963607 YUJNGMMKAGPFOY-SJORKVTESA-N 440.552 1.983 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1541006103 BEKLPNCWZKWLEC-QHCPKHFHSA-N 436.564 1.558 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)CC2=O)cc1Cl 1544604922 PFPJJOCVHWYGRD-UVARLRKDSA-N 429.864 1.059 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1544778304 AEWYIULXAVZARB-HNNXBMFYSA-N 449.529 1.412 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1544982251 GITOBTIHLCOBPY-FVGNFYTDSA-N 437.504 1.406 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1552900100 DIZCWSCCLHMADS-WVDZOPJMSA-N 433.559 1.351 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCOC2)c1 1555793949 DKOKFCVNHBPQES-WBVHZDCISA-N 431.518 1.504 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc1S(=O)(=O)NCC#N 1556733972 FCNCVBSIWIEIMD-OAHLLOKOSA-N 433.511 1.098 30 10 IDEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCOCC1 1558417655 HQDPSUGGNJKQCJ-ZACQAIPSSA-N 440.562 1.345 30 10 IDEE C#CC1(O)CN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)C1 1558691872 ZURPISMIYYXMGH-AWEZNQCLSA-N 447.376 1.056 30 10 IDEE C[C@@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](C)CN1CCO 1570455946 DLDNWRNJCWAQTA-HZPDHXFCSA-N 427.505 1.936 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 1584109342 YNNYETXVRJLBLH-UHFFFAOYSA-N 442.497 1.315 30 10 IDEE C=CCOc1ccc(C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)cc1OC 1584764286 GRBISLFSVAUERJ-JOCHJYFZSA-N 436.505 1.988 30 10 IDEE CN(CCOCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C 1584942609 OYBULJHNJVARIU-UHFFFAOYSA-N 439.534 1.473 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587831593 QRERGKYLCDGIJQ-UHFFFAOYSA-N 441.923 1.334 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588055202 SWYUFRLJCWCFRE-QRVBRYPASA-N 449.621 1.529 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCN1CCCS1(=O)=O 1588620023 MERSYMKYGQOUDU-UHFFFAOYSA-N 437.953 1.720 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)CCS(C)(=O)=O 1589442496 AJPNFNGCMYHMHU-UHFFFAOYSA-N 445.387 1.919 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cc2ccc(OC)c(OC)c2)cc1 1594932261 JRNDTYGGONHCLY-JOCHJYFZSA-N 446.525 1.339 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1595753908 KKDVQGMLXJHCLN-IEBWSBKVSA-N 447.561 1.867 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1595883771 BDEBJWMDQPGMSB-DLBZAZTESA-N 434.610 1.490 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H](C)N(C)C 1611717054 IUFSSUWLVLIITH-DKKFBQAASA-N 445.593 1.582 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1618536253 PTJBFBQIPPWRMK-LPHOPBHVSA-N 426.521 1.831 30 10 IDEE CN1CCN(C(=O)C2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1625599453 RDWFWLHOZUEXPD-IBGZPJMESA-N 449.596 1.976 30 10 IDEE COCCC(=O)N1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1631552771 HYIMFPYQJRKVPP-UHFFFAOYSA-N 449.349 1.901 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(CC(=O)NCCOC)c3)n[nH]2)c1C 1634776558 PSFWRCLLOYHCMI-UHFFFAOYSA-N 426.481 1.287 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636838579 FGIUTQYYMWKBAP-VXGBXAGGSA-N 435.365 1.554 30 10 IDEE C=CC1(CC(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CN(C(=O)OC(C)(C)C)C1 1640214665 JUEJCHLGEOXBNZ-UHFFFAOYSA-N 430.505 1.996 30 10 IDEE C#C[C@@H](NC(=O)CNC(=O)c1ccccc1I)C1CCOCC1 1640925889 UYCWIBYFUQSWOM-OAHLLOKOSA-N 426.254 1.566 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(-c3ccc(Br)cc3)no2)c(=O)nc1O 1641033389 AHOISPSSAXVDRP-UHFFFAOYSA-N 430.218 1.668 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1642455130 QOVNEYILTRMJNX-QGZVFWFLSA-N 433.534 1.935 30 10 IDEE CC#CC[C@@H](CO)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1654703275 GGEAXXJYRLYQRR-IRXDYDNUSA-N 444.557 1.435 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 1654716301 NIMVGKZUDBHUHT-UHFFFAOYSA-N 434.543 1.198 30 10 IDEE COc1ccc2c(n1)N(C)CCN2CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1654838683 XLCAUFKFGYJXJK-QGZVFWFLSA-N 426.546 1.817 30 10 IDEE CN1CC[C@H](N2CCC(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1=O 1662758882 BKUNTSQOJYJDRX-INIZCTEOSA-N 430.452 1.550 30 10 IDEE C#Cc1cccc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1 1666431692 KTNVRPPJFWFYHV-GOSISDBHSA-N 447.538 1.455 30 10 IDEE C#CC1(O)CN(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(C)c2)C1 1667120322 VYMKDKAMXBPARC-UHFFFAOYSA-N 427.482 1.863 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689846869 OGBHQWXJBNTYRH-XYJFISCASA-N 429.550 1.397 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1689980316 POAAJHUVOLEIGA-BBWFWOEESA-N 442.607 1.524 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@@H]1C 1690095924 IOKAPSSDHGZBCI-SFHVURJKSA-N 445.589 1.919 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690103875 IEMCSONHHPEEEI-SFHVURJKSA-N 447.561 1.167 30 10 IDEE C=CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690472076 CRCYRLRFDMDWKZ-SFHVURJKSA-N 436.557 1.543 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1690662157 SSWGNKPNEBXEPT-OAHLLOKOSA-N 435.532 1.922 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 1690675193 RQSKUFKWJAOKQD-LJQANCHMSA-N 438.532 1.589 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1691003993 NKXSFJYVUPFGLU-RDJZCZTQSA-N 432.550 1.658 30 10 IDEE CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1692417747 AITUEXIDZWHGNU-MRXNPFEDSA-N 439.520 1.720 30 10 IDEE Cc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(C)c1 1693077150 AQOPHHVNRXTPQV-MOPGFXCFSA-N 429.546 1.769 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1693644510 BCJMEFGAMDSWCL-SXGZJXTBSA-N 430.534 1.549 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1694031253 NOPNSYYHBLYPIB-FETPVOERSA-N 427.553 1.991 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccon1 1696498920 WDVQEEILYLCMFO-UHFFFAOYSA-N 429.506 1.771 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1696619553 XZGGFNBQQLOEAH-SIKLNZKXSA-N 433.576 1.888 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCOC(F)(F)F)cc1 1698488210 DXMWEBIOZCUYTB-UHFFFAOYSA-N 438.410 1.982 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705531765 VTWSZGNLLDKYPE-OAHLLOKOSA-N 442.545 1.475 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1705551115 GYLKXKCWMGVWCG-QGZVFWFLSA-N 435.575 1.473 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1705560948 ORUIUQCKPFSSJJ-IXDOHACOSA-N 442.607 1.386 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1705583287 USRWBDZSZUCXRS-FQEVSTJZSA-N 441.557 1.349 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1705609680 MONOSQWRLFHNJK-XUTLUUPISA-N 434.456 1.660 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705769425 RXPPRTHOSFMLAY-LPHOPBHVSA-N 425.624 1.774 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOCC1(C)C 1705841271 VEELDUGXWULZFX-UHFFFAOYSA-N 447.609 1.971 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ncccc2F)CC1 1705909238 RBNLIYWCLXBRCP-QGZVFWFLSA-N 429.500 1.683 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccccc2)C1 1705926139 YTHZPAKVQHMKBO-LRXVAGHRSA-N 446.573 1.869 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)CC1 1706937630 OULCIHSTHRVUDR-HNNXBMFYSA-N 446.533 1.220 30 10 IDEE Cc1nnc(N2CCC(OCCN3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707890939 IAXFLUCKVXXHLD-MRCUWXFGSA-N 443.552 1.194 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O 1708149118 GJWFZGNJWAPJGC-INIZCTEOSA-N 444.561 1.699 30 10 IDEE CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709645656 IAHIIVVLBWMSDU-VXHFXFQXSA-N 443.552 1.634 30 10 IDEE COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712461943 QRBDNFHSTCEDAH-LJQANCHMSA-N 444.561 1.020 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1722276429 HVDFSPPEFXYZGJ-VGSWGCGISA-N 446.573 1.981 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1722279589 TZWGVVPKTHFEEK-CABLIKTCSA-N 441.532 1.267 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(NC(=O)OC(C)(C)C)COC1 1722305737 LLGBNDVFCYOHQA-IKGGRYGDSA-N 449.552 1.754 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCc2cnn(C)n2)c1 1722309156 JXEABOYIQKPZPS-SFHVURJKSA-N 448.531 1.600 30 10 IDEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722311238 UGRDFMUNEGZSEF-UHFFFAOYSA-N 449.519 1.093 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1722346829 ANSPKZNXAPMFDP-HXUWFJFHSA-N 435.536 1.347 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722359684 PNRWUWXFTVMETG-GOSISDBHSA-N 439.545 1.311 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCN(CC)CC1 1722430919 KUNYYFCBVOVUMG-QGZVFWFLSA-N 427.553 1.491 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(C)C)CC1 1722445545 YKFKPFWKHDBFOQ-INIZCTEOSA-N 438.598 1.290 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(CC)nn(C)c2OC)CC1 1722560425 ZFUMQZFIDFSJJJ-CQSZACIVSA-N 437.570 1.398 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722692697 VBLWKLUSEUGABI-HZEGPAAWSA-N 446.596 1.567 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722727036 FKYDLJMGTHOKQB-QGZVFWFLSA-N 439.582 1.078 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722867542 GWVQLNIVPYFFGB-CABCVRRESA-N 432.554 1.142 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1723476955 AEWZBOTZZHBHNH-FQEVSTJZSA-N 437.548 1.500 30 10 IDEE CC(C)NC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1723652669 UBEHFTNRKZOSRG-AWEZNQCLSA-N 435.554 1.368 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1727926378 JKZPUEYGRLZYFO-YOEHRIQHSA-N 431.566 1.915 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccnc1OC 1729066582 GQGCBBQWZTUNFO-UHFFFAOYSA-N 434.504 1.860 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740620303 DHBUIQTXDBJZDN-GOSISDBHSA-N 444.561 1.129 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CCN1CCN(C(C)=O)CC1 1740643401 IINFZIHBUMYOJS-UHFFFAOYSA-N 448.571 1.656 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)CC)CC1 1740703844 FPUSHUBDONNWEL-UHFFFAOYSA-N 433.516 1.261 30 10 IDEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740886605 MDLIXTMDZXHYDI-GHTZIAJQSA-N 430.597 1.812 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1740967145 YBULWTOZEPKQCR-ICSRJNTNSA-N 438.532 1.947 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCS(C)(=O)=O)C1 1740981250 MPFLCQZPCXVQOD-GOSISDBHSA-N 444.561 1.733 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748818088 VKKBBPYYRLDUET-ROUUACIJSA-N 436.578 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(N(C)C)nc1 1748835397 ATRWXAIUJOXTRC-UHFFFAOYSA-N 438.499 1.503 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C 1749048110 IVONKLOKQNJPRH-INIZCTEOSA-N 425.624 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749139194 CIXJPIZOWTUTRQ-LZNRXBQRSA-N 433.553 1.626 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1749230250 VUAZNCUNWVVHRT-CYBMUJFWSA-N 441.476 1.202 30 10 IDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749232058 BOOPBZQTZSHSGW-QGZVFWFLSA-N 444.561 1.996 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)[C@H](C)CCC)CC1 1749286946 VTVGMSYVMFFPAB-CVEARBPZSA-N 426.587 1.597 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749412676 PCAWSFVWEHGIQI-OAHLLOKOSA-N 442.586 1.912 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682432 UDLANHYWEVQQOV-IXDOHACOSA-N 448.568 1.966 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1749941724 KEPLDQHDNRNVMR-WBVHZDCISA-N 425.555 1.567 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1760174691 GZZZRDGDFKCQIK-HKUYNNGSSA-N 431.562 1.793 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760183900 DLVBODMAVITBOJ-HNNXBMFYSA-N 433.509 1.237 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1760186204 LAVSUHKCHCTACQ-SFHVURJKSA-N 432.546 1.807 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1760218799 NMQXNMHVQMYEOC-HXUWFJFHSA-N 448.552 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@H](C)C2)CC1 1760264906 HSFMNWRGJPCMDA-SJORKVTESA-N 430.553 1.197 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@H]2C1 1760314204 UTVAPTVIWZIFPK-MJBXVCDLSA-N 442.314 1.552 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1760374078 IBCHEAXVGITVGS-GOEBONIOSA-N 441.941 1.950 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCC2CC2)C1 1760527084 YRZGBVUUKRTEAC-IBGZPJMESA-N 427.553 1.837 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC)C(=O)C1 1760532692 BRMCJIYLZYWNQC-SFHVURJKSA-N 438.532 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1760553200 OBPYKRLFBJWTPL-HNNXBMFYSA-N 436.534 1.788 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760564996 LOGPSDFSCREXDI-MRXNPFEDSA-N 443.639 1.952 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1765888692 DFKMCAFYRWWMNZ-VXKWHMMOSA-N 446.552 1.309 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768166773 QBAIHXFXSGKTIJ-AQMPTVPWSA-N 437.504 1.872 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1768287805 WZJFONPAGILEDM-QGZVFWFLSA-N 426.543 1.702 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1768517582 IXPLANXODMHECB-SFHVURJKSA-N 432.550 1.018 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C[C@@H]1C 1769477888 QKKRDPDLLPVPKV-BTYIYWSLSA-N 442.545 1.962 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1769785212 ZBYKJPKUUGCDCT-UHFFFAOYSA-N 427.553 1.746 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1770335827 KLRUIPLKWGLGBU-LBPRGKRZSA-N 440.323 1.481 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1770339065 FYHDIRXHKGEINR-IEBWSBKVSA-N 445.545 1.779 30 10 IDEE CC(=O)N1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851368116 ICVYDBQFFACMIL-OAQYLSRUSA-N 440.525 1.139 30 10 IDEE CN1CCN(CCON=C(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C2CCCC2)CC1 1853504737 XHPSHEQNBLDYKQ-UHFFFAOYSA-N 449.577 1.227 30 10 IDEE Cc1ccnc2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)C4(CCCC4)C3=O)cc12 1854413260 BGKGHWKJRKCTKX-UHFFFAOYSA-N 426.498 1.994 30 10 IDEE N#Cc1ccc(C(=O)CN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCS4)C(=O)C3)C2)cc1 1856107782 HYXQXGLMDSNBTO-QUCCMNQESA-N 426.542 1.382 30 10 IDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1=O)CC2 1856524644 IFWFZSBUSNJYOW-PBHICJAKSA-N 435.933 1.867 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 1858422030 KOOWFWAPCJRULW-SFHVURJKSA-N 425.514 1.313 30 10 IDEE CC#CC[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 2009908566 AIJOWIUSELSWPP-SJORKVTESA-N 432.473 1.996 30 10 IDEE CC(C)(C)OC(=O)NCCOCCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060624616 ZXRFKOFARPRMLA-UHFFFAOYSA-N 436.318 1.646 30 10 IDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cc(C#CCCO)cs1 2121160604 DKCZDZGFOBLVIY-AWEZNQCLSA-N 432.523 1.759 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124519672 LVWMGDXLZLGNEA-OAHLLOKOSA-N 448.329 1.740 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2247839895 DUEAPVBQNQSXRU-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE Cn1cc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255655594 OMGZKZBAIVKJPG-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CCn1cc(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255656036 VDHLOINMPZQJHS-UONOGXRCSA-N 434.346 1.845 30 10 IDEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]1NC(=O)OC(C)(C)C 2255705901 BHVADMWOTBEOCA-DZGCQCFKSA-N 436.314 1.943 30 10 IDEE Cc1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267147582 VWEQGUAEFJGPBE-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 2337192590 NJPOBAGDUPIPEP-HUUCEWRRSA-N 446.357 1.943 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2340985690 PTHKFMIAINAICA-SOUVJXGZSA-N 446.357 1.847 30 10 IDEE N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 20059739 LRTUDAVPANZQER-UHFFFAOYSA-N 448.570 1.385 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)CN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1 31080056 HUNDQUBITVQAMQ-UHFFFAOYSA-N 433.493 1.964 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 238874941 NUSKBCXGCQVJSQ-MRXNPFEDSA-N 439.497 1.416 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 460810262 QKMKVXPOWHIAOK-DLBZAZTESA-N 435.554 1.262 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)nn2)cc1 464809848 OWRUXLJEQOTLTO-OAHLLOKOSA-N 433.476 1.358 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC(=O)N2C)cc1 465460072 SWXORKGGOAVOHJ-FYINFDKHSA-N 434.500 1.614 30 10 IDEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCO[C@@H](C#N)C2)C1=O 474446336 OUDFCBGHNBBFIM-BZSNNMDCSA-N 428.489 1.604 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccccc1C#N 477003085 QXRLTXPGCAANIZ-UHFFFAOYSA-N 448.529 1.646 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481626850 YFCZVGUBVVIXGG-LJQANCHMSA-N 429.473 1.529 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 485994063 MMWGXWLIRBRVKH-HXUWFJFHSA-N 440.525 1.452 30 10 IDEE CNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 502479567 UJZVSVRXTQREMG-QGZVFWFLSA-N 430.511 1.620 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 508828602 PYGMRFKIHAOMPS-SFHVURJKSA-N 437.504 1.523 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COCCO3)n2CCc2ccccc2)CC1 516744770 HGAMCFVBUYSPDE-HXUWFJFHSA-N 440.548 1.033 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 532900762 QTTNOJUOYGNANJ-GOSISDBHSA-N 445.589 1.496 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(OC)c2)CC1 544838974 OIQVEZQRPATSNK-UHFFFAOYSA-N 432.340 1.066 30 10 IDEE CN(C)CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 545449062 LJHAOJFBIVNBLI-UHFFFAOYSA-N 433.578 1.696 30 10 IDEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555285932 RIYSDQHZUNDRNM-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccn1 566347383 IBFGGVCHYOOWDZ-QGZVFWFLSA-N 448.548 1.202 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)c3ccc(C#N)cc3F)cc2)CC1 609217269 AZYAULKXJFMQNL-UHFFFAOYSA-N 444.488 1.827 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CCN1Cc1ccccc1 609627594 RMDOYEPKOTZJAA-JOCHJYFZSA-N 433.512 1.698 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 614904034 FOWIUQKBCZKHOS-HNNXBMFYSA-N 440.521 1.936 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2nn(CC)c(=O)cc2C1 670230127 DVBMIAMBYNAXMO-UHFFFAOYSA-N 439.545 1.985 30 10 IDEE C=CCc1ccc(OCC(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(OC)c1 682386972 RHPORWYGTMFXTH-UHFFFAOYSA-N 445.541 1.799 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)cn1 732562689 HQQHXZQPGRMYCY-UHFFFAOYSA-N 432.509 1.015 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 742249964 DSLCFFBPVHNSAI-UNEBPCJRSA-N 432.908 1.746 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2cc(C#N)cs2)c(N)n(Cc2ccccc2)c1=O 752591508 UBDFXRXMTYMEQI-UHFFFAOYSA-N 438.465 1.633 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2=O 754379960 OHPNCELYQOQSOV-DBWCEAHUSA-N 433.509 1.459 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 756754412 XPCQCMRUOPSMRH-LLVKDONJSA-N 447.307 1.414 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)cc1C#N 774867483 XZBRMLRQBWQHLU-SFHVURJKSA-N 440.500 1.619 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)C[C@H]1N1CCOCC1 802454560 XRYWPJHBCCFABE-TZIWHRDSSA-N 440.548 1.922 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 804162752 QXPWNZOTUOKLGI-SUMWQHHRSA-N 434.468 1.454 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 809890069 SPGCDYLFGUGLKM-BTYIYWSLSA-N 434.541 1.735 30 10 IDEE C=CCS(=O)(=O)NC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 810643371 JRQJOVKEHZHKNH-NVTXSZTESA-N 426.494 1.098 30 10 IDEE CC(C)CN(C(=O)CON=Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 853723533 WJVABUUDAFDSMK-FQEVSTJZSA-N 437.562 1.545 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cn(CCO)nc2C2CCOCC2)C1 856675593 AYDLUYRRIINOGM-DOTOQJQBSA-N 433.509 1.258 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)c(OC)c1 1083980152 WMQMQMPVYMPQQR-UHFFFAOYSA-N 428.478 1.581 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)c(OC)c1 1084506081 PXTQJUWBSMIILL-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1134818217 SYYFBQIOPVXOOF-UHFFFAOYSA-N 431.518 1.887 30 10 IDEE COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1136671880 UKDDFIPWSJLRIQ-VGVBMJIYSA-N 444.488 1.904 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O 1142284427 AYPVMVXEBBNAQF-FZKQIMNGSA-N 430.461 1.286 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)C1 1150967835 FPPFNMZDAHXAKU-OXJONJSCSA-N 440.566 1.171 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1178191194 TVOPPKKREZVYED-NVXWUHKLSA-N 435.546 1.831 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(OCCO)CCC(C(F)F)CC2)c1 1179453839 REZUOPFJFLYNGY-UHFFFAOYSA-N 444.500 1.531 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2O)c1 1193729813 JADXMGCDXYOHEE-UONOGXRCSA-N 432.502 1.645 30 10 IDEE C#CCN1CCN(C(=O)CN2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1196185686 DEBHJNSDSJEAAD-SJORKVTESA-N 446.514 1.789 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1251846509 HGKOQPZQAAMBMP-GOSISDBHSA-N 440.481 1.919 30 10 IDEE CO[C@H]1CCn2cc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)nc2C1 1264644725 CXPJKKDHTKCHCP-CVIUTVQRSA-N 431.518 1.909 30 10 IDEE C=CCN(C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)[C@H]1CCS(=O)(=O)C1 1264995357 CPFJGTVDMHIMKJ-AWEZNQCLSA-N 427.527 1.008 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1286395549 RTPFFDRFVBHAPP-WBVHZDCISA-N 435.575 1.416 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)s2)CC1 1286485380 JOXFQDCBWCRGRV-UHFFFAOYSA-N 428.562 1.800 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1286778726 DYWYKZXBGMYHFQ-CABCVRRESA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286779803 MWFJRLJUCCTTFA-PXNSSMCTSA-N 440.548 1.413 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286790187 JTRYEMIAIJVNCD-JOCHJYFZSA-N 443.573 1.381 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286792818 JAJVTQQYPGTUED-ZWKOTPCHSA-N 440.548 1.841 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOCC3(CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793263 BGSSIWMNIYWCJK-JOCHJYFZSA-N 433.553 1.628 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1286811654 DCOADFMDEALBNR-HSALFYBXSA-N 446.596 1.681 30 10 IDEE CCn1cnnc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1295953420 GHKYRTPFNOWKOM-WMLDXEAASA-N 426.456 1.946 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccncc2OC[C@H]2CCOC2)c1 1298789321 UIMGGTZHYHEAFM-AWEZNQCLSA-N 433.461 1.863 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)C[C@H]1O 1299412901 HIFGZOZRNHCTLS-ATZDWAIDSA-N 425.489 1.604 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300358220 NCDJPXSHBJVRCH-KRWDZBQOSA-N 429.550 1.543 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1300412073 QTZJBCXZGWDKCJ-SJORKVTESA-N 446.552 1.715 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCCn1cc(CO)nn1 1300449616 KZSZNMZTFVHBKJ-UHFFFAOYSA-N 430.310 1.951 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300504621 PEEUCYMMBRWSMB-HOTGVXAUSA-N 436.509 1.658 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCC 1300513011 PKGFQINCZVLOGD-UHFFFAOYSA-N 441.561 1.146 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1300522680 LXKQWZABKUSJON-UHFFFAOYSA-N 447.499 1.636 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCCC 1300537779 JWUMCPFBVKAGKP-VQTJNVASSA-N 431.606 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@]2(CCOC2)O1 1300596894 YRTWJHOXGSAKTD-FAKFISEUSA-N 428.533 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)N2CCOCC2)CC1 1300727552 ZMNGJABYKWPXJS-UHFFFAOYSA-N 430.597 1.553 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300766652 HYUNDRGCWNBBPV-MRXNPFEDSA-N 446.602 1.752 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1300767477 ZYMMHNMRDAKRQZ-KRWDZBQOSA-N 425.518 1.900 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301497322 SMQAQUBQHMUMLT-GOSISDBHSA-N 437.548 1.693 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@@H]2C1 1301510357 VGPROCHNRBETQF-MRXNPFEDSA-N 443.577 1.246 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301577532 PRVPLYHKBYCUPR-RDJZCZTQSA-N 449.964 1.914 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1301948080 KSVOLKOWROCLLW-SFHVURJKSA-N 437.548 1.995 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)CC1 1302924402 MHCIOOMOWRHJSB-UHFFFAOYSA-N 440.525 1.189 30 10 IDEE C[C@@H]1CCCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1305014157 DXNMHWMVLQWOKD-FGTMMUONSA-N 436.582 1.173 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCCN1CCN(c2ncccn2)CC1 1311902035 IXZNMYIVFAHUAL-UHFFFAOYSA-N 430.553 1.365 30 10 IDEE CN(C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1314700834 ZUOBKSQBZIAWIB-UHFFFAOYSA-N 443.533 1.657 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315096014 GYRKKJJMAHRHIH-KIJUOZEOSA-N 428.493 1.461 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1315560678 DCOMVCUFUCUXAB-RBUKOAKNSA-N 440.504 1.687 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2CC)C1 1321258656 RUQXXEMSTSYCHP-SFHVURJKSA-N 447.561 1.767 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(Cn3ccnn3)o2)c1 1357483110 BPBMIIVUOJDHKX-RELWKKBWSA-N 428.474 1.985 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(=O)N(C)C)c1 1358902551 RJPZWNIODQZMNJ-UHFFFAOYSA-N 432.488 1.270 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)NC(C)C 1358996144 UDRVMZFNMZLKAL-UHFFFAOYSA-N 434.591 1.425 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1359010465 QNSLFDIFAPKWDN-HTAPYJJXSA-N 449.552 1.852 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)n1 1359027353 GHKJYHDKQBZCQS-RBBKRZOGSA-N 428.537 1.797 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)CC1 1359309166 KCCQHOFSXFOWON-UHFFFAOYSA-N 438.532 1.796 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCCC2)CCOC1 1360348039 RKCAQGFOVGBYQK-GCJKJVERSA-N 432.569 1.922 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1443492561 HTDHCJXXMGVNRK-QHCPKHFHSA-N 449.596 1.844 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](CS(=O)(=O)NC)C3)ccc2c1=O 1454456167 VSQYBCAFTMHMOJ-CYBMUJFWSA-N 436.559 1.273 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)c2C#N)C1 1461784199 AGGUEUKKDIQCHP-NSHDSACASA-N 429.502 1.716 30 10 IDEE CC(=O)c1cc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1464695801 AVSHDXFPJFENPS-XHDPSFHLSA-N 447.332 1.211 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(CCS(N)(=O)=O)CC1 1466816715 LVGYNYPUWLYHPH-UHFFFAOYSA-N 447.355 1.452 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(Cl)c(Br)c1 1474862683 AYWZKPSTFDXUQU-VIFPVBQESA-N 429.745 1.861 30 10 IDEE C#CCOCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1475803881 XDIWQGYLIYRXQX-IRXDYDNUSA-N 428.576 1.624 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 1478116951 KJYWONAQYPLFKQ-AWEZNQCLSA-N 435.502 1.627 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1502971163 AXSYNPVRSKVKSI-OVGZCAFISA-N 444.536 1.704 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1505134528 HDWFPONREFDDHC-GOSISDBHSA-N 448.524 1.512 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1507573760 JQJQCCYXIDJJRN-OAHLLOKOSA-N 440.570 1.359 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1507617531 VITZKXBGUDKNHT-LJQANCHMSA-N 447.561 1.240 30 10 IDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507633326 FWJJWVUEYJVAKP-YJBOKZPZSA-N 446.529 1.188 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCc2ccccc21 1507637122 OFNWPGUZCZKSPP-DEOSSOPVSA-N 426.480 1.832 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2ccsc2)CC1 1507715400 ABSVCMAFKBVXBN-JOCHJYFZSA-N 444.605 1.921 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOC2CCOCC2)CC1 1507736751 RCTUSTHLQWDSHF-UHFFFAOYSA-N 440.548 1.825 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1507809730 XGNAJPIXQMDUDD-JZXOWHBKSA-N 432.569 1.845 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCNS(=O)(=O)CC)CC1 1507881213 PXASDFWPPKQJCF-HXUWFJFHSA-N 441.598 1.805 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(C)=O)CC2)C1 1508107338 BWHUVKRFAVQWMA-LJQANCHMSA-N 430.553 1.554 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](C)C1 1508129993 FVCITYWPIABCGV-LSDHHAIUSA-N 433.600 1.116 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)O1 1513547598 LPGOVBKNGUVGKE-SQGPQFPESA-N 439.582 1.894 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1517702589 RPANJLWVWOBWED-IBGZPJMESA-N 440.504 1.901 30 10 IDEE COc1ccc(CCc2nnc(N(C)OC)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1518195379 DJTXHMSIOWZAFJ-VXPUYCOJSA-N 426.477 1.596 30 10 IDEE CO[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1OC 1519504647 CQWBIGAKBRTJGF-FWPDZHELSA-N 430.509 1.312 30 10 IDEE C=C(C)CCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1524034902 NQDBSNHOIGVKKF-UHFFFAOYSA-N 427.910 1.860 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCCS(=O)(=O)N1CCSCC1 1537539092 AMTOCSOTQRDDOF-UHFFFAOYSA-N 432.365 1.358 30 10 IDEE C=CCN(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)[C@H](Cc1ccccc1)C(=O)OCC 1538618431 JPVMWPMWXJWYEY-SJLPKXTDSA-N 427.461 1.189 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1538970280 BSKUHCJWFZHMTP-JKSUJKDBSA-N 432.550 1.602 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1539011141 ABWQRWNGWQHBPU-QAPCUYQASA-N 435.525 1.451 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1539034748 ICSSGDSHHJFOEC-PNLZDCPESA-N 432.569 1.875 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539201960 DCMHMFQHWDIIIQ-IAGOWNOFSA-N 437.610 1.755 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2)CC1 1539445571 AJVUHYURXTWQSF-GOSISDBHSA-N 438.532 1.244 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1539774637 JPCZAHJYJHFFMZ-MRXNPFEDSA-N 431.514 1.783 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 1539807916 MAKIVLDBLWCOOR-LPHOPBHVSA-N 435.502 1.540 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](OC)C(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1540908451 GZLCBXDPQWLSBP-OXJNMPFZSA-N 442.582 1.392 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1541115671 CXGVCASCSBWKEK-KUWNYOFRSA-N 449.602 1.703 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541994351 RQVQDLCUYWYNTQ-CWFNNOHCSA-N 425.493 1.786 30 10 IDEE N#Cc1cn(CCC(=O)Nc2ccnn2Cc2ccc(Br)cc2)c(=O)nc1O 1542836972 BIEVBQZFOWLLMB-UHFFFAOYSA-N 443.261 1.857 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1545124978 CHUMAOOVSYSCJW-ROUUACIJSA-N 426.521 1.675 30 10 IDEE COC1(C(F)(F)Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1554676945 NZBIDOPEHBLXTD-AWEZNQCLSA-N 428.484 1.843 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCn2ccnc2C1 1555558698 ARGCXHDAMAGEFH-IBGZPJMESA-N 437.552 1.965 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC[C@H](F)C2)C1 1555812567 GQRVMAUKRYSPNL-ULQDDVLXSA-N 440.545 1.489 30 10 IDEE C#CC1(F)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)C1 1562143076 NGRIGTVECAUBCO-UHFFFAOYSA-N 438.525 1.743 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1587852104 QAPWYVPKWYHZKR-MSOLQXFVSA-N 448.593 1.473 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1587990271 UTWZYFSXBUGNFM-CQSZACIVSA-N 438.937 1.969 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1588314928 VPFUBZKBKHFMHL-HSZRJFAPSA-N 436.516 1.940 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(=C)C)CC1 1588780498 RDYZKBGZSGDBMH-UHFFFAOYSA-N 433.520 1.269 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)N(C)C)CC1 1588908666 URQDEWGZDYBGLB-UHFFFAOYSA-N 445.527 1.547 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1589571614 ZNLKHKMJICEYQP-KXBFYZLASA-N 444.561 1.577 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1589581456 SKBPOALVJQPTER-JGQIHZOTSA-N 447.580 1.967 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1594961561 CGBASBWKXRDMOA-HZPDHXFCSA-N 427.571 1.963 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1595845540 VQMPLDVERWTESW-ZDUSSCGKSA-N 438.579 1.471 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1611695520 IRVNZBWRUAEKPJ-OAQYLSRUSA-N 448.545 1.839 30 10 IDEE C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)C1=O 1614874819 DDTHGJYARQIAQY-GOSISDBHSA-N 433.346 1.237 30 10 IDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)c(OC)n1 1619274713 BIUZOHLRVNMEPF-QGZVFWFLSA-N 447.499 1.979 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COc2ccccc2O1 1619911871 JSUPIXIDTVZPAZ-HOTGVXAUSA-N 426.477 1.436 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN(c3ccc(F)cc3C#N)CC2)CCC1 1620508693 YUDQEQUDXZRMDP-IBGZPJMESA-N 438.569 1.821 30 10 IDEE CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1635543230 AUDWOXXJLYBZLS-OAQYLSRUSA-N 431.493 1.603 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(C1)OC(=O)Nc1ccc(F)cc12 1640324525 KBLKYCQNTJNTNZ-GFCCVEGCSA-N 444.444 1.664 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCC4(CC3)NC(=O)NC4=O)CC2=O)cc1Cl 1640332865 DCURQWKRYHIJGU-CIQOGTPDSA-N 429.864 1.202 30 10 IDEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1641109747 TWNDVYPMWVNEKX-KKSFZXQISA-N 449.529 1.309 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CC[C@H](O)c3ccccc3)CC2)cc1 1644910893 XURNRJCDXBRKKX-UNMCSNQZSA-N 429.542 1.739 30 10 IDEE CCN(CCC#N)C(=O)CN1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1648133242 UWEHPTDMVHBJMF-ZACQAIPSSA-N 435.525 1.263 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)ccc1F 1650739891 SLPAJJPDQAWHMG-ROUUACIJSA-N 425.526 1.398 30 10 IDEE CN(C)S(=O)(=O)c1cccc2c1CCN(CC#CCN1C(=O)c3ccccc3C1=O)C2 1653594000 AEKOBEYUVMFTRE-UHFFFAOYSA-N 437.521 1.595 30 10 IDEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCC1(F)F 1654391091 SFWGQIVISZBLRU-HOTGVXAUSA-N 440.516 1.977 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)nn1 1664570426 FEWWFLSBCFBHOX-UHFFFAOYSA-N 433.259 1.631 30 10 IDEE C#C[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1674219063 HDVYSLAORYDLIY-GOSISDBHSA-N 434.562 1.202 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)NCC3(C#N)CCC3)CC2)CC1 1683258623 BYLSNQNRGPNVIL-UHFFFAOYSA-N 434.541 1.680 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1683544552 JBCAAKSOQODLDM-UHFFFAOYSA-N 435.484 1.968 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689940147 OYRXFUIYCNZTBO-FQEVSTJZSA-N 427.505 1.620 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1689981914 DJGDCXCKEOTRKQ-LJQANCHMSA-N 444.561 1.791 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1690046723 GDDUULRQAQZDOK-QGZVFWFLSA-N 442.541 1.709 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCOCC2)CC1 1690117690 ROAKOYPPIHBLDO-UHFFFAOYSA-N 441.532 1.259 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690172642 KQEHBBRMQHBYJC-RBUKOAKNSA-N 446.621 1.281 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1690432840 MVDIMTAXROEXDU-IRXDYDNUSA-N 441.598 1.829 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cnnn1)C1CC1 1690540105 ZVBLOUDNCANRNU-UHFFFAOYSA-N 428.522 1.580 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690621837 BBCNOJKHBCNNNJ-CABCVRRESA-N 446.474 1.131 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690667669 CTHBHGIMOVMIKC-OAHLLOKOSA-N 445.524 1.305 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690669114 UWSLFAQPUNTTOG-UHFFFAOYSA-N 430.472 1.486 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690673335 SZGATQIEUFYQBB-UHFFFAOYSA-N 446.939 1.120 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690746716 IDVATATWABDHKJ-DOTOQJQBSA-N 436.607 1.276 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1693406947 DKDDWEVLJQBSDF-LJQANCHMSA-N 448.531 1.996 30 10 IDEE CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1694395009 BWZFKLAHHCZVOU-PMACEKPBSA-N 437.548 1.848 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C[C@H](C)O1 1697910156 GALDZRXAMCNYKV-QFBILLFUSA-N 427.505 1.884 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCNC(=O)C(C)C 1705530667 QKIZFTIVLYZSRA-UHFFFAOYSA-N 445.593 1.860 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705584709 VDCRXVHDBAFELJ-LJQANCHMSA-N 446.477 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1705595788 GPSAPBCJTICUKO-UHFFFAOYSA-N 443.529 1.294 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](COC)C1 1705698464 UUIFTMIEYZCAHP-FJIDUMEYSA-N 441.598 1.732 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1706072340 GEKGWIODGTZLIG-OAHLLOKOSA-N 435.579 1.315 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1706081030 ATDZEHUISIMDRE-LSDHHAIUSA-N 444.561 1.601 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(O)C1CC1 1710729608 GHDOWFMYBGEJJF-NRFANRHFSA-N 428.541 1.216 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1711015148 QCDVZVFQRHMRQA-UHFFFAOYSA-N 449.563 1.903 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1711586793 DZGXLEMQEHIOEH-CXAGYDPISA-N 442.442 1.502 30 10 IDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 1712198313 CSIHFZDDYFBSQT-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cccs2)CC1 1722442374 ZAFRXRFBRSFVOK-NRFANRHFSA-N 428.562 1.125 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1722568838 BJGIMRDIUPBIPP-IBGZPJMESA-N 443.596 1.500 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ncccc2F)CC1 1722574636 OROBZSQSJROJQE-AWEZNQCLSA-N 438.529 1.904 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1722581468 BYNVUMGLVLMSTA-UHFFFAOYSA-N 447.565 1.609 30 10 IDEE C=CCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722623382 TZBONTVZZHVUET-HXUWFJFHSA-N 441.598 1.757 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(N2CCCCC2)CC1 1722727342 KOSMBGQCQNMSOH-UHFFFAOYSA-N 445.593 1.791 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCN(CC)CC1 1740537139 BDBXAWYEBIDAGT-NFBKMPQASA-N 432.613 1.804 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@](C)(O)CCOC)c1 1740564412 MHDRLANAWJZNGK-FDDCHVKYSA-N 441.532 1.626 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740656010 HDUYHZLTROCDJQ-QZQOTICOSA-N 434.525 1.920 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740698028 PVBVXSBNOWZYAI-HSZRJFAPSA-N 438.532 1.196 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1740704569 SQTHLVKIRJZMOK-UHFFFAOYSA-N 442.527 1.988 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740715127 DPQLJRAUXLJSQD-UHFFFAOYSA-N 442.593 1.092 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1740733639 OSXZQQGLYKXMAT-LJQANCHMSA-N 434.587 1.862 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740964566 QVMNAWSVIDIBKL-QZTJIDSGSA-N 442.495 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccn2)CC1 1740990115 IWVQVZSMPVYHTF-UHFFFAOYSA-N 442.549 1.001 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CC1 1748685306 XTRAQBUHOWUOAR-MRXNPFEDSA-N 428.562 1.592 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748811812 LUKKSAFBKKVZKR-GOSISDBHSA-N 445.589 1.921 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccncc1 1748831035 DUNUSTJIHYEXSJ-UHFFFAOYSA-N 448.552 1.906 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1748951388 UONFNLYJQWALRL-KGLIPLIRSA-N 431.509 1.410 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCSC2)CC1 1749016494 FQKXSUQYZLSORW-JOCHJYFZSA-N 440.573 1.098 30 10 IDEE C#CCSCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1749047607 AQFZFEZUYFPJQW-LAUBAEHRSA-N 448.593 1.337 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCCS1(=O)=O 1749169321 VHDXZNDKMUTJGF-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749241410 MHROFXSPARBBBU-BBWFWOEESA-N 428.555 1.218 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1749403083 WKBJGIKQXCTILA-KRWDZBQOSA-N 427.571 1.176 30 10 IDEE COCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749611185 FUTGTFNIDTWOMA-WIYYLYMNSA-N 445.593 1.598 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1749660002 LTMWONRAYJMSRN-UHFFFAOYSA-N 442.520 1.323 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1749676114 FBARAXWQQVGLHV-XMMPIXPASA-N 432.528 1.972 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1749680175 FZERNWGNGOFVKP-KRWDZBQOSA-N 427.505 1.857 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749682853 BDEPHMVXQTUTLL-VQTJNVASSA-N 440.548 1.287 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC(=O)N(C)C)C1 1749709543 QNYBFMXXBCKWKQ-OAHLLOKOSA-N 430.509 1.656 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccncc1 1750954363 QCADJLGXAPFGTP-UHFFFAOYSA-N 432.488 1.589 30 10 IDEE C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1751148372 MNKPLBKDRVJTPW-HZPDHXFCSA-N 432.475 1.597 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1761356935 RNAOCSCYYUGTHY-HZPDHXFCSA-N 439.511 1.608 30 10 IDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1762365064 AFZVKMLJPZLQHW-OAHLLOKOSA-N 427.534 1.891 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1763038032 BAJUJPCNQYUZOY-INIZCTEOSA-N 439.520 1.264 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1767287389 DYVAMUZOMDOHMX-UHFFFAOYSA-N 440.533 1.225 30 10 IDEE COC[C@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1770723393 GUFDYVVCVYFFRU-ZBFHGGJFSA-N 431.493 1.982 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1770976559 CLIPHZRKBVBQCC-AUSIDOKSSA-N 438.532 1.805 30 10 IDEE N#Cc1c(-c2ccccc2)ccnc1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 1852014027 FKOZIKALJVIASP-UHFFFAOYSA-N 425.514 1.719 30 10 IDEE Cn1nncc1CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCN(c2nccn(C)c2=O)C1 1853480492 DNWGXEPURRJWQB-GOSISDBHSA-N 432.488 1.092 30 10 IDEE C[C@H]1CN(C(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1 1872636924 LBDLPIWQLKAZSC-TXEJJXNPSA-N 445.501 1.687 30 10 IDEE O=c1c(Br)c(N/N=C/c2ccccc2F)cnn1[C@H]1CCS(=O)(=O)C1 1873527128 MMAXTJJYFNXJBK-TUVHXFJTSA-N 429.271 1.951 30 10 IDEE O=C1CCC(C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2C[C@@H]2CCCO2)=NN1 1873710501 HQWLMYCEMHOQBU-LBPRGKRZSA-N 439.497 1.411 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN3CCOCC3)SCC(=O)N2C(C)C)cc1 1889265543 ZJDPJRVNFCJCGM-VXKWHMMOSA-N 445.585 1.541 30 10 IDEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1OC 1891364043 HXUKXYJGGQUSOJ-UHFFFAOYSA-N 430.486 1.185 30 10 IDEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)CCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1959797229 KIXAPHHWSPDVAL-FVQHAEBGSA-N 446.334 1.636 30 10 IDEE CC(C)(C)OC(=O)NCCSCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010403218 BCWIOVQOAOPZLD-UHFFFAOYSA-N 438.359 1.972 30 10 IDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637507 LSEJUYFBSBKZCO-AWEZNQCLSA-N 435.334 1.169 30 10 IDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661571 XKNMARMNGNYWRD-CQSZACIVSA-N 437.302 1.791 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124540620 JVZIQYSMKMQPNS-OAHLLOKOSA-N 447.345 1.265 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247845513 RPDPAMQOPJECIM-LBPRGKRZSA-N 441.359 1.400 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248404324 LSYDVRLZXMJGBI-WCQYABFASA-N 441.359 1.333 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)n1 2267112881 NAKZREKOCCFWJS-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2267265807 KVRBOBVDGPVQAG-STQMWFEESA-N 439.243 1.759 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2267270121 JORGFWMYVFMOMA-YEJXKQKISA-N 447.345 1.244 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)n1 2267526705 WNPGVKXXEFUSDW-NWDGAFQWSA-N 442.247 1.190 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)n1 2267543992 NRQOXKVFRRXYRS-CYBMUJFWSA-N 449.361 1.490 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267549549 NAHUZDSWRTYZII-CQSZACIVSA-N 449.361 1.586 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267598393 ZFUBJZVOSDJLHR-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268764451 BABHBQAPMLRVHV-ULQDDVLXSA-N 448.325 1.265 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2299055699 KGZFKFOUZNSTMB-AWEZNQCLSA-N 446.375 1.475 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2329013384 GPMJHIMOHKSZFX-LBPRGKRZSA-N 447.477 1.076 30 10 IDEE CC(C)(C#C[C@H](N)[C@@H](O)c1cc(Br)c(Br)o1)S(C)(=O)=O 2365208585 SQBPJRMDHZFCGX-WCBMZHEXSA-N 429.130 1.992 30 10 IDEE C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 49447266 SCWUAJSSYCXTIW-QZTJIDSGSA-N 434.558 1.987 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1c(F)cccc1Cl 72443768 WPFARNSLLXALJI-MFKMUULPSA-N 444.854 1.488 30 10 IDEE CCc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444381 XHFCWPKYVSZTID-DLBZAZTESA-N 435.484 1.899 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@H]1c1cccnc1 72461211 VWCQCHBBDSNDJF-QAPCUYQASA-N 444.451 1.924 30 10 IDEE COc1ccc(CC(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 441153607 ZSWJZKSZHZHYHB-UHFFFAOYSA-N 435.546 1.705 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(F)c1 481075068 RJFLPJGFWWMNAU-UHFFFAOYSA-N 431.445 1.714 30 10 IDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486610759 NMGHLQYHGCIBGU-SFHVURJKSA-N 445.472 1.872 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)C2=O)cc1 508653846 GNHOFVVBVABGGB-FXAWDEMLSA-N 437.475 1.836 30 10 IDEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508712398 HOBWTGKEYOTLOK-CQSZACIVSA-N 431.294 1.041 30 10 IDEE Cn1c(=O)c2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 509557773 NGFGRLNIIBLCNV-UHFFFAOYSA-N 434.456 1.579 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513101214 FOVOVMBEVXKYJP-JOCBIADPSA-N 441.419 1.840 30 10 IDEE COc1ccnc(N2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)n1 513397677 MXRUNTXBHPTQGE-UHFFFAOYSA-N 433.434 1.794 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 580786545 KZYFISCTMMOODW-INIZCTEOSA-N 449.519 1.899 30 10 IDEE CCCCCCCC[C@H](C)N[C@@H](CCC(=O)N[C@H](CS)C(=O)NCC(=O)O)C(=O)O 604938633 AHTCGADZHAQXKX-HRCADAONSA-N 447.598 1.564 30 10 IDEE COc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 608920614 UGMNUXVNHOLPEE-UHFFFAOYSA-N 442.541 1.532 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 610156965 BEPNUBFMNPPGTI-FQEVSTJZSA-N 433.512 1.919 30 10 IDEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615488762 DEGSHGBSQULKJL-FQEVSTJZSA-N 439.541 1.523 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 727416985 BDBUYURDOXAMBZ-UHFFFAOYSA-N 436.880 1.822 30 10 IDEE COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)c1ccc(C#N)cc1 740216620 WZYSGQWLYFFSDW-GOSISDBHSA-N 432.454 1.242 30 10 IDEE COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C#N 746872510 MYYXGMNKFOIEOJ-UHFFFAOYSA-N 445.497 1.713 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)O 757304379 GKQNLYVLLDKJKI-UZQPLGKSSA-N 448.475 1.963 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCc2ccn(C)n2)C1=O 760455008 NIKMPMCQUFLDRM-GOSISDBHSA-N 446.552 1.801 30 10 IDEE COC(=O)[C@H](OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 767549253 DTQZABKAFAERKH-HXUWFJFHSA-N 437.456 1.235 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1cc[nH]n1 770821334 YOFDWUWOBPYIAR-UHFFFAOYSA-N 427.461 1.115 30 10 IDEE C#CCN(C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C)[C@@H]1CCS(=O)(=O)C1 774037104 QTRWCQJPNGGHJC-OAHLLOKOSA-N 427.548 1.801 30 10 IDEE C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 790683467 CZZUVGRKAGCEIX-FQEVSTJZSA-N 436.386 1.329 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(C)C)cc1 813561182 FFIXBJAUKQQTAM-YJBOKZPZSA-N 447.605 1.944 30 10 IDEE N#CC1(CC(=O)OCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 815415621 WKUSGCFXHCLFEL-UHFFFAOYSA-N 431.514 1.987 30 10 IDEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)NCc1ccco1 1084010358 JFOLEJFZGSFZER-UHFFFAOYSA-N 432.422 1.053 30 10 IDEE CN(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C1=NS(=O)(=O)c2ccccc21 1130952159 HHLBANNOCMNXCH-UHFFFAOYSA-N 435.469 1.217 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 1136633010 WTGLQTFWMLTEIS-LJQANCHMSA-N 446.592 1.697 30 10 IDEE CS(=O)(=O)c1ccc(NCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 1150658240 UQGZUFAGTVAESQ-UHFFFAOYSA-N 428.514 1.973 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)C1 1153865780 IHKOZWZBMCFTTQ-PWSUYJOCSA-N 428.898 1.627 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1170814237 BCMBWQYGGQRNCX-GOSISDBHSA-N 442.497 1.368 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2cccnc2)c1 1171208972 NSUQGSAEMPDBPV-MOPGFXCFSA-N 430.482 1.274 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1213383546 TXDUOZPBLZPMRA-OAHLLOKOSA-N 436.939 1.480 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCC[C@H](C#N)C3)CC2)cc1OC 1228421984 DJJLDNNADRMREZ-OAHLLOKOSA-N 436.534 1.802 30 10 IDEE C=CC[C@H](CO)CNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1255639962 YKPMFMSOBZZOHK-JKSUJKDBSA-N 425.526 1.803 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nccnc1C 1286400555 BYMUFGYJLXQKGV-UHFFFAOYSA-N 434.525 1.763 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOC)CC1 1286480917 QZDRUXYOYOGENV-UHFFFAOYSA-N 438.580 1.634 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)C1 1286668381 QNINMMAEFSITJY-INIZCTEOSA-N 440.614 1.795 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286789070 OJZGLQYGTSCHSW-HXUWFJFHSA-N 442.539 1.611 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1286789437 GSBDRNKUYHXXET-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2)C1 1286810492 RYSPFWKMRKRUFN-MOPGFXCFSA-N 437.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cnccn2)CC1 1286818860 QMMZNCRMFMJFEW-UHFFFAOYSA-N 440.533 1.058 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@H](C)C1 1286819284 GDRHGHBELBNGLI-ZIAGYGMSSA-N 437.522 1.220 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287011062 DCLJMWUUROHCTB-NONRQZMLSA-N 430.509 1.098 30 10 IDEE CC(C)(C)OC(=O)N(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1287047527 FFIWFNPTLSVTMR-HOTGVXAUSA-N 445.524 1.357 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1291677554 YKMBBFUZAMEFHN-LSJPXJTBSA-N 430.509 1.314 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1292177018 WUIXUJCKISHZQP-SJORKVTESA-N 447.561 1.884 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1299241626 RRISZBDJVAPDNF-UHFFFAOYSA-N 447.503 1.078 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300763008 SXNGMUMKYBILTB-SJORKVTESA-N 446.577 1.305 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1300849539 QVDQECDTOZSMLQ-QAPCUYQASA-N 426.359 1.992 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cnccn1 1300863183 KDABUTHMTPBWET-PKOBYXMFSA-N 425.537 1.964 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300891597 LWYXKKJSEQAKNW-GGPKGHCWSA-N 426.521 1.196 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1300913646 YUFJKELRTZZRGK-GOSISDBHSA-N 425.537 1.912 30 10 IDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1301290888 CLSRLDZOKBUQBC-NEPJUHHUSA-N 433.324 1.183 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301511777 FDINAZWYHPRZDG-YGCDDZCOSA-N 439.520 1.673 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C3CC3)CC2=O)cc1 1301716318 GIJKQODBLHSUAM-ATZDWAIDSA-N 430.530 1.420 30 10 IDEE N#Cc1ccc(N2CC[C@H](N3CCN(S(=O)(=O)NCc4ccccc4)CC3)C2=O)cc1 1307904439 ALGGMIBZFVDSJN-NRFANRHFSA-N 439.541 1.316 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1NC(=O)CC1(C)C 1316101876 PGMFULCBYRXESW-KRWDZBQOSA-N 428.541 1.421 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1358871691 JBUJKSXBDVELBA-NWDGAFQWSA-N 428.465 1.391 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1358938287 WFMUBVDUGFXSSK-KGLIPLIRSA-N 428.559 1.213 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1359028516 VEJRCGZCVHTGMJ-FQEVSTJZSA-N 427.597 1.390 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(SC)CCOCC2)CC1 1359029911 KJALFALLVRNMNH-GOSISDBHSA-N 437.610 1.670 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2noc(CC)n2)CC1 1359044388 DVLQRWLQPOVFSC-KRWDZBQOSA-N 441.536 1.674 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1359052410 FAXZHWRHOIZUIY-OAHLLOKOSA-N 429.546 1.996 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1359070332 KMQAYDSDCLUDOE-GHTZIAJQSA-N 445.545 1.722 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@]1(OC(C)C)CCOC1 1359305515 FKHKYSRIEIBEPD-NRFANRHFSA-N 431.541 1.299 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nnn(C)n2)C1 1359315588 XIJRYQMDQBQQIO-GFCCVEGCSA-N 434.302 1.389 30 10 IDEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1360042953 BHVMGAFJOFUSAD-UHFFFAOYSA-N 449.519 1.908 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CS1(=O)=O 1452966104 RZRVLQVJDKXNLR-ABAIWWIYSA-N 426.336 1.839 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1456473873 YSTDHRTVRWIHSZ-HZPDHXFCSA-N 441.481 1.487 30 10 IDEE CON(C)S(=O)(=O)c1cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1Cl 1465543075 XRRSNFVIXWOSAO-WUKNDPDISA-N 442.881 1.377 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@H]1CCCN(O)C1=O)C(=O)OC(C)(C)C 1468452608 ISZPHKXXLKRPBC-ZDUSSCGKSA-N 430.502 1.245 30 10 IDEE N#Cc1ncn(CCNC(=O)NCc2cc(Cl)ccc2I)n1 1470102613 JTOUNVSEGBIKBG-UHFFFAOYSA-N 430.637 1.907 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCCc3c[nH]c4cc(F)c(Cl)cc34)C2)c(=O)nc1O 1470974697 IPJJPPPUCZSYOH-UHFFFAOYSA-N 430.827 1.903 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)OCC 1475579786 QYAWTHAOFZGQSG-CYBMUJFWSA-N 436.939 1.480 30 10 IDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1494839669 ANIGMNXTDLOJFL-HFJQGTKSSA-N 438.532 1.852 30 10 IDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCNS(=O)(=O)CC 1499151723 CYDRYAKTZCRGLB-UHFFFAOYSA-N 449.556 1.507 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503259539 OSJFPKGWHNXRGT-QGZVFWFLSA-N 446.533 1.489 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1505321780 FADNLLJBDMBMIZ-RTBURBONSA-N 445.545 1.516 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1505322043 HGZMPKUFBFTTOL-SJLPKXTDSA-N 446.533 1.227 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCn2cc(Br)cn2)CCO1 1505323363 FQENWPRWGJLJEG-MRXNPFEDSA-N 443.309 1.652 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1507538359 LSPMWEWXHYXPAG-MJGOQNOKSA-N 445.589 1.627 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1507545879 MSWSDOSAFGOSEW-AWEZNQCLSA-N 425.942 1.908 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507629933 RADADKFSIYHEAT-WOJBJXKFSA-N 437.525 1.789 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1507669441 MIGXOYQMCCEVEE-JTSKRJEESA-N 444.532 1.690 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC(C)(C)C(=O)NC)n1 1507714485 OUOZUMVIXOWQKV-UHFFFAOYSA-N 429.569 1.831 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1507738601 RXXMRPWNPLSNIG-CVDCTZTESA-N 439.564 1.992 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1507738931 IMCXXTQJXOPKHD-UXHICEINSA-N 442.608 1.868 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507797791 MOIRURUJQQATAL-LYYGHALDSA-N 434.537 1.514 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1508152226 JZPSRGODRIPVBR-GOEBONIOSA-N 439.611 1.883 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C#N)C2)CC1=O 1519191803 GPVNIUAEWLNJLW-HZPDHXFCSA-N 444.923 1.822 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1519517719 RPAWIBAOWKINRA-QGZVFWFLSA-N 430.534 1.343 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)C1 1521056958 SYTGBMQOWNSGRX-UTKZUKDTSA-N 433.532 1.193 30 10 IDEE C=CC[C@]1(C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)CCCN1C(=O)OC(C)(C)C 1529204394 OWQDXGYMBKBANX-KSVNGYGVSA-N 428.551 1.603 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1539163040 ZCYYOQAGPMOIEH-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539219847 GAZMRKIGBMHMBH-MSOLQXFVSA-N 431.562 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCSC2)CC1 1539466848 IBWZDGPFKOLENK-INIZCTEOSA-N 430.578 1.233 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOCC2)C1 1540882426 ILMDGQUPBRHBQD-GOSISDBHSA-N 441.536 1.429 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1541880499 NIFTXRXNDVZRRV-CVEARBPZSA-N 429.525 1.712 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 1556716423 KLBKGLZDSRPRQP-OAHLLOKOSA-N 445.488 1.876 30 10 IDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C1CCN(C)CC1 1558506313 CZCPGFZGCQTYLA-UHFFFAOYSA-N 442.379 1.674 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(C(=O)NCCCO)CC3)C2)C1 1566369502 IFSZVDIPIBKRTA-FRIYVGAWSA-N 448.564 1.510 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CCO2)cc1 1585445913 NHPIEEKKSPTPDI-SFHVURJKSA-N 431.470 1.386 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1587568884 SJIDVBNTYLKWHW-IIBYNOLFSA-N 447.561 1.345 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588055779 ZBORBJVYHRYWLY-UXHICEINSA-N 449.621 1.675 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1588064285 FKCQBLLCXIYAJX-RBUKOAKNSA-N 446.573 1.929 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1588751860 OLRXDUUANLWOJX-URXFXBBRSA-N 444.624 1.950 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOC)CC1 1588923656 HRSIGQJDBNNTBS-UHFFFAOYSA-N 435.488 1.206 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C 1589216576 RUTPBOASKPEPTE-FUHIMQAGSA-N 439.582 1.274 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1589547577 VCLJFGHOGWXBBT-KURKYZTESA-N 437.566 1.359 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595785155 RSEDJRRJHTUEDY-JXFKEZNVSA-N 433.534 1.325 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1614303588 LLCANLBULAGFTF-RHSMWYFYSA-N 425.493 1.627 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615838058 JBSLXBZGZPSZPT-WMZOPIPTSA-N 444.971 1.748 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615886108 XGQSUWHQRVZXQX-OAQYLSRUSA-N 434.564 1.276 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617679135 QNORVJWWFNLVPY-UHFFFAOYSA-N 435.536 1.801 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1617728853 KWDJNRHXLOMEHU-IBGZPJMESA-N 426.546 1.702 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)C1=O 1618455960 GWYKZCLVXNFGKJ-SCLBCKFNSA-N 448.325 1.253 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1618594926 AZOOTTFNEUNTLJ-JOCHJYFZSA-N 439.520 1.216 30 10 IDEE CNC(=O)COc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1OC 1618705445 FMQDMEHGSHNVET-UHFFFAOYSA-N 442.497 1.910 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)C[C@H]1O 1618884217 UKGUQAOIADGHSY-HUYLIWGRSA-N 439.516 1.850 30 10 IDEE COC1(C)CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619040071 VEUBRJQXZDBFHO-HTXNQAPBSA-N 426.452 1.836 30 10 IDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1619809819 RJIASXDFDGKYLI-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1620045129 NMYBBZIDODOXLP-KRWDZBQOSA-N 448.474 1.830 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)NCCCC)s1 1624704168 XLJJWGMFSAXEDD-CQSZACIVSA-N 431.605 1.573 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccc(C#N)s3)CS(=O)(=O)[C@@H]2C1 1626826975 SYVFESUEDRTJEM-DAXOMENPSA-N 439.559 1.906 30 10 IDEE Cc1cc(NCCNC(=O)COc2ccc(C#N)c(Br)c2)n2ncnc2n1 1629195255 PCQAEXYMRPBYRL-UHFFFAOYSA-N 430.266 1.674 30 10 IDEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@@H](C(N)=O)c1cccc(Br)c1 1632917417 SVWBQKURFQTALS-YWJBVVMDSA-N 435.278 1.350 30 10 IDEE CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1634464521 XSGMIPGNUYDMKU-INIZCTEOSA-N 449.305 1.737 30 10 IDEE CCOC(=O)N1C[C@@H](NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 1637076936 OYERDUSZIBNDPS-FUHWJXTLSA-N 432.326 1.473 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(F)cc(I)c2N)CC1 1640588481 KWJJFFJXVGOMHM-UHFFFAOYSA-N 431.205 1.931 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1641702083 BIQSDAJQNBTANE-ZHRRBRCNSA-N 446.479 1.909 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 1643023845 SRKJXFKAEDHCTR-IAGOWNOFSA-N 439.534 1.251 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1643814322 IBITXXBVNSJLAN-SJORKVTESA-N 434.562 1.499 30 10 IDEE CN(CCc1cccc(C#N)c1)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1644228380 LRFRQPHWFYKJHG-UHFFFAOYSA-N 442.541 1.692 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc(Br)c(C#N)c1 1645449242 SCLGMDYTOKXUIQ-KRWDZBQOSA-N 435.278 1.875 30 10 IDEE C#CCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454707 NDRRAPLKNSVWET-UHFFFAOYSA-N 441.575 1.799 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F 1651372579 OKJFDXXGCWERLD-ZIAGYGMSSA-N 433.408 1.037 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(Cn3cnnc3)CC2)CC1 1654140637 XRIISELTKANPIT-OAQYLSRUSA-N 425.512 1.538 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)CC1 1654801120 GZZTWHAWHPNZHH-XMSQKQJNSA-N 437.585 1.030 30 10 IDEE C[C@@H]1NC(=O)[C@@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H]1C 1654910190 HUMRMIHROZGXQF-RRFJBIMHSA-N 426.477 1.052 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)C1 1679944184 ILKFDJIMXZMRID-MJBXVCDLSA-N 425.486 1.596 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](CC)Oc2cccc(Cl)c2)CC1 1679947010 QHFSUXLASOMLPW-MRXNPFEDSA-N 428.942 1.292 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1690001767 RTNXBZAXARGKDJ-DYESRHJHSA-N 429.546 1.259 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCN2CC)CC1 1690113323 GSDCKEHFNDNJRH-URXFXBBRSA-N 444.624 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(COC)CCC2)CC1 1690113521 LVZIFHHLKAZZRV-QHCPKHFHSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCCCS(C)(=O)=O)CC1 1690119316 ADIMEZMJTGPWLT-UHFFFAOYSA-N 445.589 1.924 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C(C)C)C(C)C)CC1 1690134916 KSUSKFZYKATLPW-SFTDATJTSA-N 432.613 1.876 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCCC2)CC1 1690146307 KTZDRLRXTFSTKV-GOSISDBHSA-N 433.578 1.336 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1690146413 NCDGQMXQPAMHQM-QGZVFWFLSA-N 440.552 1.143 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cnn(CC)c2)CC1 1690146798 XACHBZJMBAHZEO-LJQANCHMSA-N 425.537 1.750 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCC(=O)N(C)C)CC1 1690150568 MQCVVCXHXFGXAZ-UHFFFAOYSA-N 437.548 1.098 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690247670 DINFTTFUMOIQAI-LNLFQRSKSA-N 425.599 1.930 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OCC)CCOC1 1690320066 ISBNRQRJOAQYKD-IPJJNNNSSA-N 436.553 1.907 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1690365912 KSOQUZIIEQNBGS-IBGZPJMESA-N 427.571 1.414 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1690668044 QNWSGKXNUFJPIQ-UHFFFAOYSA-N 429.525 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSC[C@@H]1C 1690668688 FGKMDVFFGINTPK-AWEZNQCLSA-N 449.606 1.482 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1692500844 UMYHIQJCPQWOAL-HSZRJFAPSA-N 435.532 1.935 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCCC3)C2)n1Cc1ccc(C#N)o1 1692864519 IKZNYCKTHDGJGH-OAHLLOKOSA-N 448.549 1.941 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1696939703 ARZKWDANTTZEPB-SFHVURJKSA-N 447.499 1.802 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCCS1(=O)=O 1705546290 HOLPRRJJFQDDJA-UHFFFAOYSA-N 438.351 1.813 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1705564517 BKMHGNLDAWDWFI-QGZVFWFLSA-N 428.518 1.184 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705579900 XZMVOCZGXBHFII-UHFFFAOYSA-N 442.527 1.100 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705582968 NUIBGAVXIKXZOC-QGZVFWFLSA-N 428.514 1.337 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC1 1705626678 FIAXBSPBSOBKEU-INIZCTEOSA-N 432.550 1.361 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCN(CCC)C2)CC1 1705643950 WGEMFFRSPYZFOB-HKBOAZHASA-N 430.597 1.489 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705725910 XILQVRKFDXJWIT-IKGGRYGDSA-N 446.552 1.877 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1705898176 DDEQHBILZNYZPO-UHFFFAOYSA-N 432.492 1.353 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1709352368 GIJNYDNMOWERJJ-SJTPKYKMSA-N 430.509 1.314 30 10 IDEE COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1711872683 BPIMAPZSBQFBRS-YWZLYKJASA-N 449.533 1.154 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1712108895 GUOSDGXSUKUNGZ-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE CS[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1712724602 MKJCYAFLJZLEFO-HNNXBMFYSA-N 428.566 1.761 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1722293501 CPYKGBCTGUUXTD-YJBOKZPZSA-N 429.546 1.240 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1722392747 KTCDZCVFSOHTQL-UHFFFAOYSA-N 435.937 1.518 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722429636 UHCXRWVUCJODJG-FHWLQOOXSA-N 445.543 1.214 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2([S@](C)=O)CCC2)CC1 1722439061 NIJGGIYAIYOGHJ-HKBQPEDESA-N 441.601 1.934 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722458801 UAIDHRUXTOBETN-AWEZNQCLSA-N 446.533 1.649 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722476563 AFTZPNNGWVESIG-OLZOCXBDSA-N 425.331 1.572 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(C(=O)OC)CC2)CC1 1722566168 LJXKTMXWTPEURG-KRWDZBQOSA-N 437.566 1.815 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722699518 JKKDOANDCPSGKD-OAQYLSRUSA-N 447.536 1.325 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)n(C)c2=O)C1 1722709200 KUTQZWPQMODFIV-SFHVURJKSA-N 449.515 1.762 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CC(=O)N(C)C 1723603721 WRYUNHOUTPFFSB-IBGZPJMESA-N 437.548 1.835 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1OC 1730049200 FWWVPCNPKWLDQA-CQSZACIVSA-N 436.538 1.450 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740574452 LHHKPNKZHPPDNT-OALUTQOASA-N 435.594 1.142 30 10 IDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1740611012 RBKAIHIFDVEJNS-QFBILLFUSA-N 425.489 1.355 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740623446 UBVJLOKDNBYGCT-QGZVFWFLSA-N 444.561 1.711 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C(C)C 1740630593 LASZJICHWZOAKY-FQEVSTJZSA-N 443.573 1.939 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)c2nccs2)CC1 1740706586 XAWPCMPCYLGTRV-GOEBONIOSA-N 441.561 1.455 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)C1 1740953646 MSJDRAYBRWVRTE-UHFFFAOYSA-N 437.342 1.964 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCCCCCO 1743239870 WEJKNRLHOVJAOR-ROUUACIJSA-N 440.552 1.711 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1747730757 NCFDNZHHWMHDOB-LJQANCHMSA-N 438.532 1.962 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1748639029 AZMMFEJGWMDMKF-LSDHHAIUSA-N 428.628 1.174 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748812106 PYGBUUYRYKCPAA-GOSISDBHSA-N 426.546 1.229 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(O)CC2)CC1 1748991407 WDRISZZFMJBXNE-GOSISDBHSA-N 444.580 1.673 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nccs2)CC1 1749001580 XCZRRKZHHDUVJB-UHFFFAOYSA-N 429.550 1.081 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1749037386 CJJLESHKGFOORX-APWZRJJASA-N 441.623 1.604 30 10 IDEE C#CCSCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1749047609 AQFZFEZUYFPJQW-UWJYYQICSA-N 448.593 1.337 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749241649 QDRMKEYKHBUREJ-YADHBBJMSA-N 436.553 1.907 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCc3ccccc32)CC1 1749287156 YCMATXRBDLNFBS-HRAATJIYSA-N 431.562 1.879 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1749554167 PPDPJVGLTKHWKZ-HNNXBMFYSA-N 437.591 1.913 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(F)(F)F)CC1 1749677484 AGRXFFFFJFRGQC-UHFFFAOYSA-N 428.459 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749741099 PLVPEIZBXYTUGA-HZPDHXFCSA-N 425.555 1.225 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCCN2CCC[C@H]2CO)c1 1750380965 DFVCOOFYHDZOAU-PMACEKPBSA-N 437.548 1.365 30 10 IDEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)n(C)n1 1751823687 UQUBFSGMJNCWGH-UHFFFAOYSA-N 435.492 1.042 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1760138259 VEFTZDXBSAJRNT-SFHVURJKSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1760195512 CXAQTBFAXBBKER-HSZRJFAPSA-N 429.565 1.502 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1760244333 QVEBKOZLNLYWFZ-JOCHJYFZSA-N 433.553 1.275 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760287632 ZIMVVMXEPJBRON-IBBQJSRESA-N 437.504 1.033 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760354873 PYHLDWIJPHJORU-UHFFFAOYSA-N 441.536 1.137 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760445906 ZEGYWBHKTUUWME-NRFANRHFSA-N 441.492 1.549 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C 1760499757 IQNNYYZEJGECNS-UHFFFAOYSA-N 426.477 1.922 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760510357 UNAMOUQBAIYMSI-ZDUSSCGKSA-N 435.472 1.261 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760526220 IEVHTXWVWDKOFO-MBSDFSHPSA-N 441.532 1.852 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760527984 OQLKRGBFFAAUGQ-FUHWJXTLSA-N 440.573 1.896 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760552641 VUDPMHQLBPVPAH-OAQYLSRUSA-N 448.593 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CC)C1 1760553802 IQLMQZKOCQRHMQ-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1760688719 NFWZKXFZZQUQED-BFYDXBDKSA-N 431.566 1.999 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1760932457 VWUQSJDDNNTQTR-UHFFFAOYSA-N 434.508 1.148 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1761451480 VLIONUDPTWWXDC-MRXNPFEDSA-N 445.545 1.945 30 10 IDEE CC1(C)CN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCO1 1761566482 SXYXDKPIGJNVPU-GOSISDBHSA-N 441.492 1.693 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)NC(C)C 1762225476 FPADCUZYBDLHRP-UHFFFAOYSA-N 439.586 1.264 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NC(C)C)c2ccccc2c1=O 1765576401 DZZFJGULAGVKPL-HNNXBMFYSA-N 436.520 1.938 30 10 IDEE CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)ncn1 1767837418 FYRWWKSXUIQFGQ-YESZJQIVSA-N 425.541 1.879 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)OC 1769237736 HOLOMZLZWSDNNU-KURKYZTESA-N 426.477 1.413 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1769338092 CFONWGJJDDIIMD-UHFFFAOYSA-N 427.509 1.216 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)C[C@H]1O 1769448455 BGYVMVCJPXJCDK-VBSBHUPXSA-N 439.516 1.728 30 10 IDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851652999 VXCWPPAQHLWCBG-OAQYLSRUSA-N 449.536 1.446 30 10 IDEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)CCCn1ccccc1=O 1852280069 XUAMHLLDYGUEJE-UHFFFAOYSA-N 435.937 1.975 30 10 IDEE COc1cccc(C#CCNC(=O)[C@@H]2C[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1852592957 QFDXSKTVQRYTBP-UXHICEINSA-N 441.528 1.878 30 10 IDEE CC(C)S(=O)(=O)N1CCN([C@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1854550404 LFNKMNHPZPFFSJ-IBGZPJMESA-N 432.546 1.435 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(F)cc2Br)CCN1S(=O)(=O)CC#N 1854872399 IXCCPAQLQPFGDH-SNVBAGLBSA-N 432.271 1.043 30 10 IDEE C=C1CCCN([C@@H]2CCCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1855122637 CSNGLPYDKAIZRQ-QGZVFWFLSA-N 431.514 1.391 30 10 IDEE C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855734062 GQYNSVCCQHDJGJ-HZPDHXFCSA-N 427.482 1.774 30 10 IDEE O=c1c(Br)c(N/N=C/c2ccccc2O)cnn1[C@@H]1CCS(=O)(=O)C1 1873527321 UIVWEKQRAVEURJ-RGOWCBCBSA-N 427.280 1.517 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@]12CCOC2 2006234332 OMSLMQZJLPPXNY-SWLSCSKDSA-N 425.345 1.983 30 10 IDEE CC1(C)OB(c2ccnc(NS(=O)(=O)N3CC(OCc4ccccc4)C3)c2)OC1(C)C 2043681987 CXUATCJPEHANIX-UHFFFAOYSA-N 445.350 1.939 30 10 IDEE N#CC1CCN(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)CC1 2118167584 ORXQLMBPUSLGAX-OAHLLOKOSA-N 434.440 1.914 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124522372 SCDUPNRODNTDQO-MAUKXSAKSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247919139 PGGLQYWPLBHSHA-STQMWFEESA-N 439.343 1.152 30 10 IDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2248403032 CLJWEUXCUDZKAI-AWEZNQCLSA-N 440.371 1.891 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC1 2248441215 RRGMTPRTHAIELM-UHFFFAOYSA-N 438.359 1.987 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255652292 RZKDEZGUYIRVOU-HIFRSBDPSA-N 434.346 1.847 30 10 IDEE CO[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255665580 HYGVXRFJWWASFI-UONOGXRCSA-N 436.318 1.073 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1NC(=O)C(F)(F)F 2255712362 MJTPVEYRRPMYDN-SMDDNHRTSA-N 429.248 1.843 30 10 IDEE COC[C@]1(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2260799298 WBODFXOGGWWWRF-GLCJEOIMSA-N 440.346 1.943 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267000345 WYOYBNFCOSTCJF-LJQANCHMSA-N 436.365 1.585 30 10 IDEE CN(Cc1ccccc1)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CC1 2267216690 VZGBBPCILJYISN-GOSISDBHSA-N 439.369 1.755 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267522718 VYTSDXDZABFYBD-AAEUAGOBSA-N 444.263 1.248 30 10 IDEE C=CC[C@]1(CO)CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2287689727 CIJJNGUNWAGLLQ-FXAWDEMLSA-N 440.518 1.489 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cc(Cl)ccc2O)CC1=O 2329013309 PQPFNBVSSRCDIA-GFCCVEGCSA-N 436.925 1.821 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CCO)COCc1ccccc1 2343517147 IEGDKFBORZPGHB-SFHVURJKSA-N 443.353 1.900 30 10 IDEE COc1ccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@H](c2ccc(OC)cc2)C=3C#N)cc1 20247931 NCZWXYKKNJTZIP-WAGPWIPHSA-N 442.431 1.666 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 27771640 FNCCZRPLQKHMLB-HXUWFJFHSA-N 441.576 1.960 30 10 IDEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 103936600 OCWBOBLRWVCTPB-LJZRKVIHSA-N 447.517 1.808 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(C#N)cc3)CC2)cn1C 460267381 VNYIVMUZUUFSPS-UHFFFAOYSA-N 431.518 1.196 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1C#N 461190180 CQQOHVDBDCMEDA-CQSZACIVSA-N 444.473 1.778 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3c3ncccn3)CC2)c1C#N 473008286 JLSAAIVDKDVBAV-RLLQIKCJSA-N 434.548 1.877 30 10 IDEE COc1c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc(Br)c(C)c1[N+](=O)[O-] 493279867 JXRYCYOLUSNNBX-CQSZACIVSA-N 434.268 1.978 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 509001503 WTJVJFJHFDOHJH-FQEVSTJZSA-N 438.532 1.263 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(=O)N(C)CCCC)CC1 520224319 ZRNLTYLSSDFBOQ-UHFFFAOYSA-N 436.578 1.167 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 523306538 SPMMXCJKODDRPH-INIZCTEOSA-N 439.493 1.869 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCN1CCOCC1 523577000 OAMNMCHRQRQODQ-UHFFFAOYSA-N 443.569 1.652 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C(C)C)c1=O 526036019 VMQSIFXTDPUITB-UHFFFAOYSA-N 428.558 1.986 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccccc3)c2=O)o1 531598501 ZOTDPIPNFDARRH-UHFFFAOYSA-N 437.521 1.379 30 10 IDEE CN(C)CC(C)(C)CNC(=O)C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 533606529 CLKXJAFFKRSYNH-UHFFFAOYSA-N 434.606 1.748 30 10 IDEE Cn1cc([C@@H]2CN(C(=O)c3cc(C#N)cn3C)CCN2C(=O)c2cc(C#N)cn2C)cn1 542408812 NEDDPSFEFDLCPS-FQEVSTJZSA-N 430.472 1.180 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC#N)C1CCCC1 571240735 LOGPERMMKRMMPK-UHFFFAOYSA-N 434.562 1.930 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCCN(Cc4nccn4C)C3=O)CC2)c1C#N 577670625 YZDNXEYMPARBQO-INIZCTEOSA-N 442.549 1.080 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCN(C(C)=O)C3)nnc12 646237867 JUHQTMCWTMYSHD-OAHLLOKOSA-N 440.529 1.307 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670215440 QVDBHHFVNVHAQV-MRXNPFEDSA-N 447.565 1.190 30 10 IDEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 729331805 PTVWJBMBXONXBG-KRWDZBQOSA-N 426.560 1.288 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 729334086 IPRUVVRRYBIMGZ-GJZGRUSLSA-N 429.464 1.966 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 732439055 DUNYZXPAVDJGKV-SKQREZPOSA-N 431.468 1.025 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(Cc2ccccc2)c1=O 743725037 ASMGAWATOZSASH-UHFFFAOYSA-N 438.578 1.998 30 10 IDEE CC(=NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(S(N)(=O)=O)cc1 745201639 SYKKNUMENIKDMA-UHFFFAOYSA-N 438.531 1.191 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 766989270 WWWXQVILXBZQRQ-OAHLLOKOSA-N 433.511 1.667 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cncs2)c1=O 767882353 FOQQDISUXSEDKQ-UHFFFAOYSA-N 441.534 1.797 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)C1=O 771440163 OPBPYUQACDJFAD-YADHBBJMSA-N 444.488 1.368 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 781048677 NQTPNPUIIAEKMV-CQSZACIVSA-N 436.534 1.631 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1C#N 785604259 XJPVBOMAFYHZHY-UHFFFAOYSA-N 432.362 1.561 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)n1 788578344 SDYFVBQIIZMAFQ-UHFFFAOYSA-N 445.545 1.432 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)n1 789322746 ARVDDLSQSRYUQQ-UHFFFAOYSA-N 438.532 1.341 30 10 IDEE COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(F)cc1Cl 795829286 NCYMOPTVZISIIX-CCEZHUSRSA-N 431.829 1.070 30 10 IDEE N#C[C@@H](C(=O)CN1CCCN(S(=O)(=O)C2CC2)CC1)c1nc(O)c2ccccc2n1 801978916 IGSOHWGFUITPDJ-INIZCTEOSA-N 429.502 1.012 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO2)CCN1C1CC1 802692713 KMBBIARHSFJQLY-IAGOWNOFSA-N 441.561 1.625 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H](c2cccnc2)C1 805823237 DUVBQHQRBNVGNV-INIZCTEOSA-N 426.481 1.548 30 10 IDEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C)[C@H]1CCS(=O)(=O)C1 809807250 ARZXIUDJFNFELA-HNNXBMFYSA-N 440.529 1.400 30 10 IDEE C#CCN(c1nnc(COCc2ccccc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812394630 FATIUTDGQGGJCB-PMACEKPBSA-N 444.557 1.658 30 10 IDEE C#C[C@H](NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)c1ccc(F)cc1 812935374 BGPMNKKLQZUVIQ-SFHVURJKSA-N 430.505 1.940 30 10 IDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 917035637 RVZJMYPXRPHHEA-GOSISDBHSA-N 440.500 1.660 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(OCCO)CCOCC3)C2)C1 1138748346 VHOHYMXOHANCKO-BQIYRTECSA-N 437.537 1.448 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)c1cc[nH]n1 1141610849 RTNOKZSPWQFVGA-LJQANCHMSA-N 443.504 1.192 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1OC 1144586211 WPEJMVCOMJZVMZ-CQSZACIVSA-N 425.413 1.641 30 10 IDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)S1(=O)=O 1160518688 GFYFPBZGHNIMNB-GGUBFDOKSA-N 425.551 1.807 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]cc2I)cc1 1167459491 ZOCBSHUBBVJPHV-UHFFFAOYSA-N 430.227 1.178 30 10 IDEE C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCSCC1)c1ccc(Br)cc1 1226881644 HXVRZPZMXBPUEB-HNNXBMFYSA-N 446.392 1.801 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CC(C(N)=O)=NO1)[C@H]1CCOc2ccc(Br)cc21 1248642726 IOAGLXRXCQHCIJ-WFASDCNBSA-N 435.278 1.548 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1286273916 LFMVKPZZQZXLKJ-KSMMKXTCSA-N 439.969 1.907 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC(O)CC1 1286379583 XOOCQWCLUHKQKE-UHFFFAOYSA-N 436.560 1.475 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286386456 AAWYAVFHFNYSAY-GOSISDBHSA-N 440.529 1.814 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286397886 VJMVDVVZHJEEIX-GHTZIAJQSA-N 438.594 1.773 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1286451667 MVHRYFSLITZMHP-MRXNPFEDSA-N 440.614 1.237 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2CCCO)CC1 1286486545 ODJGVUKNOMGWIN-LJQANCHMSA-N 430.597 1.388 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1286787158 POYFABSDEZOFDZ-SFHVURJKSA-N 439.442 1.567 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1286797238 SLISTDVTRNUUDU-SJORKVTESA-N 445.545 1.105 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1286968688 AXQZSBFIQYCTMI-KRWDZBQOSA-N 441.561 1.912 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1287204238 VJJFEVQOSMARDD-AWEZNQCLSA-N 445.549 1.218 30 10 IDEE CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1288200819 WCKFDFKPEQQNBK-QYZOEREBSA-N 435.532 1.887 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1288506335 GNKDDUMTGGPLCN-CABCVRRESA-N 447.521 1.873 30 10 IDEE N#Cc1ccc(OCC(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1Br 1295194485 CERXOGVEJABPBI-NSHDSACASA-N 425.201 1.834 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1297398991 BKACSUDCXRJILG-DYESRHJHSA-N 445.545 1.229 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1300302592 CETZJOJLHPQMLM-HUUCEWRRSA-N 429.529 1.422 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1300393383 VLWNDOCMKPLQHS-RBUKOAKNSA-N 444.532 1.956 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1300458272 GBGCHFPJGRYXJN-SFHVURJKSA-N 435.594 1.285 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)C1 1301539245 PFILQRRQJSYIIS-DZGCQCFKSA-N 440.957 1.766 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1301584466 AQCLFQFIXNDECU-UHFFFAOYSA-N 429.546 1.719 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1303760153 BIDKXAGVMDCTJG-LSDHHAIUSA-N 435.529 1.306 30 10 IDEE CN(C)C(=O)COc1ccccc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893263 SIICLGQKORKKHV-UHFFFAOYSA-N 425.441 1.671 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC2)c1 1312946862 QPBBUYVORSCOEK-SFHVURJKSA-N 428.455 1.840 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)C1 1314011552 XSPSEJZMEGFFFZ-SFHVURJKSA-N 426.502 1.976 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCn2cnnn2)c1 1316530119 TXTBUBHPNCAQFK-UHFFFAOYSA-N 447.425 1.787 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1358872283 RXJSMSJPTHFBLJ-IAGOWNOFSA-N 430.578 1.799 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1358948789 LFZWGBQMKKUSIN-QUCCMNQESA-N 443.573 1.801 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1358985086 ORMKNATXYFQQSM-GOSISDBHSA-N 434.610 1.616 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C1CC1 1359006603 BNHVIPWMJBRGQW-UHFFFAOYSA-N 429.550 1.224 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCn2cc(Cl)cn2)CC1 1359043374 RPVRVLHMSSIJPM-UHFFFAOYSA-N 438.923 1.856 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(CC)CC)CC1 1359043969 PIZYPAZQYFWGEP-KRWDZBQOSA-N 426.569 1.375 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1359140682 IYINHJXGPFWQMW-HZPDHXFCSA-N 438.960 1.634 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359142139 BCSGKGATHUVGSP-ZIAGYGMSSA-N 426.930 1.694 30 10 IDEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359343596 WRRBXTQDHXNNIB-UHFFFAOYSA-N 436.626 1.959 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359650221 FFQVNGNTXIOWJN-QFIPXVFZSA-N 433.520 1.735 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]([C@H]2CCCO2)C1 1439561294 CJXISOSRYNUBMU-BHIYHBOVSA-N 449.529 1.451 30 10 IDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1451312162 YWNDOGIGZZDCFR-DOTOQJQBSA-N 426.477 1.025 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCCNC(=O)CC3)CC2)cc1 1457176782 MYBYMJNNEJVNMG-UHFFFAOYSA-N 432.546 1.478 30 10 IDEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1464040391 DXILAZNZBDBNST-UHFFFAOYSA-N 439.397 1.981 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 1466372983 GFYMQJKTILVVCS-XMMPIXPASA-N 431.536 1.979 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1O)C(=O)OC 1468876143 WDKQMMCDOWNTGW-SFHVURJKSA-N 426.425 1.956 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)C1 1469535786 SGWNIEBAYYCFKI-HXUWFJFHSA-N 442.541 1.522 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 1479159987 QMQOZBRAGLITNK-KRWDZBQOSA-N 433.472 1.860 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C 1492320223 HRRPKVSFBVJXNZ-BTYIYWSLSA-N 447.561 1.619 30 10 IDEE CCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)C1 1502274982 ULGLDLBCMPIGQE-DFQSSKMNSA-N 438.532 1.519 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503560855 DKHLYEZXRWWSNT-IGGDJGDASA-N 430.509 1.171 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1504962892 ARWSUDKPMUCDKP-PBHICJAKSA-N 429.518 1.411 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCCCC1 1507608035 HYORNHSQMAOLSG-UHFFFAOYSA-N 443.577 1.710 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1507617572 WFGUEBIPNYKUMW-OAHLLOKOSA-N 442.524 1.242 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507651351 MSRMSLFSCXKDSV-HXUWFJFHSA-N 441.543 1.837 30 10 IDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507836636 TWOFBCFKZAMQSM-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 1508070870 FVYFTYAXVOUTGP-GOEBONIOSA-N 432.550 1.746 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCS(=O)(=O)CC 1508073297 JEVZJAAKPGDZHH-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(CCC)C(=O)C1 1508079184 PGGDGWOABNHBAD-UHFFFAOYSA-N 426.521 1.705 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1508152227 JZPSRGODRIPVBR-HOCLYGCPSA-N 439.611 1.883 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2nnnc2-c2ccccc2)c1 1525781656 WBTPJIWCRNCCLD-NKFKGCMQSA-N 439.501 1.792 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)C2)nc1 1527485038 NPSXNWOAACKRBV-GDBMZVCRSA-N 432.527 1.534 30 10 IDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C1CCOCC1 1532934146 LQGPZDQWELXFBJ-IBGZPJMESA-N 448.541 1.419 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539089877 USZMVEWUPSCTFU-HXUWFJFHSA-N 428.518 1.354 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1539194053 QTCLGSFQINPDQF-NRFANRHFSA-N 429.594 1.417 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1539211354 KZUPSKLBXZYIRW-KRWDZBQOSA-N 439.545 1.540 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539219811 FPIUZUDRMNBOES-HZPDHXFCSA-N 435.575 1.960 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNC(=O)c1cc[nH]n1 1539260160 LOLVXZAUYAOSJZ-UHFFFAOYSA-N 440.467 1.826 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1539557717 YMNLWLFCIYRXPY-HRAATJIYSA-N 430.530 1.935 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1539977839 UGHXUEDSBMKTST-UHFFFAOYSA-N 431.585 1.517 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1540186602 FMNVEIVISTYMTH-KKSFZXQISA-N 447.561 1.487 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540864436 ZXPKMIYBSRTJMT-ZWKOTPCHSA-N 426.521 1.073 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccco2)C1 1540897225 DLYBOHZTVNKEDO-MRXNPFEDSA-N 437.522 1.188 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541670572 WTSOCFYCKNCYAU-ZPHPHTNESA-N 429.525 1.713 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1541703899 CCYMAHNXPAFOHY-HXUWFJFHSA-N 437.548 1.848 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCO[C@@H]2CCOC2)CCOC1 1541725170 DXPPIZRSDBFVLX-DUXKGJEZSA-N 437.516 1.956 30 10 IDEE CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1543125222 ZTGWRYMNVPKQHH-VTCIPAKZSA-N 446.554 1.736 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CCO1 1546769420 FPVGRXBYUSLBEF-QGZVFWFLSA-N 448.549 1.283 30 10 IDEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1547122642 DOCMYSUFZMTIKJ-UHFFFAOYSA-N 425.537 1.787 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)C)CC1 1552379449 GNIJOPNAGJODHD-UHFFFAOYSA-N 445.593 1.723 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1554785056 XEKXABRCNTZWFF-GUYCJALGSA-N 441.492 1.546 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CC1CCS(=O)(=O)CC1 1555557958 HVAZURXSCYKCCI-QGZVFWFLSA-N 425.555 1.711 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 1558072903 HJAHAGOQGPNEOK-UHFFFAOYSA-N 436.353 1.053 30 10 IDEE COC(=O)[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CC1CCCC1 1558726111 HUZKXFIPNXSIFB-INIZCTEOSA-N 435.546 1.991 30 10 IDEE C#CCN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCN(C)CC1 1563968043 XWDWXKJEHAYQBM-IBGZPJMESA-N 441.580 1.021 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)C(C)C)CC1 1588884572 FPUFCKNWASFJGJ-QHCPKHFHSA-N 446.596 1.569 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC[C@H]2COCCO2)CC1 1588954314 FIBRLCAHOFMDSZ-FQEVSTJZSA-N 429.565 1.782 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN2CC)CC1 1588955215 ROQVJRBKOOJREG-OAQYLSRUSA-N 435.576 1.714 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@H](C(F)F)N1CCOCC1 1589134875 QWXZXHWAGWFGAT-IIBYNOLFSA-N 438.523 1.764 30 10 IDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1594122292 NFTJVINPJDCLKS-LJQANCHMSA-N 427.553 1.791 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1596453327 CKTLBGOIVIBJPW-INIZCTEOSA-N 429.454 1.548 30 10 IDEE N#C[C@]12CN(C(=O)c3c(O)cnc4c(Br)cccc34)C[C@H]1CS(=O)(=O)C2 1598567867 ONIVESCWVHYWMK-DYZYQPBXSA-N 436.287 1.713 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1610904239 SFOOMQPNUANCGK-GHTZIAJQSA-N 429.525 1.414 30 10 IDEE N#C[C@@]12CN(C(=O)c3cn(-c4ccc(Br)cc4)nn3)C[C@H]1CS(=O)(=O)C2 1611158944 FKXFNTAXKADMRT-ZBEGNZNMSA-N 436.291 1.040 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1611772065 KEWOJAPJDWUXOO-DXQAYGFFSA-N 425.493 1.438 30 10 IDEE CC1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1611787218 OUXQAXAAJKXZRL-MRXNPFEDSA-N 434.522 1.503 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2ccccc2Br)[C@H]1c1ccnn1C 1618519736 MIOFHLVKXXFIEH-OLMNPRSZSA-N 446.305 1.852 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1619539040 FMGLMPGUNACWIL-MSOLQXFVSA-N 433.534 1.349 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CO)CC2)CC1=O 1619927406 GFXDKGVTUFQHSQ-IBGZPJMESA-N 438.532 1.520 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1620352093 NXLCTUNWQQFAMW-INIZCTEOSA-N 441.517 1.270 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)cc1 1627687509 MYQFIPIHSZOVCP-VQTJNVASSA-N 444.509 1.885 30 10 IDEE COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1628547565 HIQRWIYENGMARE-KRWDZBQOSA-N 433.486 1.914 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1628547686 IJOZCTZRBMFMDL-OAHLLOKOSA-N 433.442 1.326 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3c(F)cccc3F)CCC2)CC1 1636192471 IMZFLVYEMJEQPG-UHFFFAOYSA-N 426.489 1.181 30 10 IDEE C[C@](O)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)c(Br)c1 1637513339 NSBRUHFTRIWXQS-QGZVFWFLSA-N 437.225 1.013 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1637864435 GAXBKFBHCLNRBU-GOSISDBHSA-N 442.541 1.831 30 10 IDEE COc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1N1CCNC1=O 1639050276 UCQSLWVWZIRGIH-UHFFFAOYSA-N 438.440 1.743 30 10 IDEE O=C1N[C@@H]2CS[C@H](CCCCC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)[C@@H]2N1 1639054172 ABJVZWIHYIWHIB-JFIYKMOQSA-N 446.529 1.616 30 10 IDEE O=C(C1CCN(C(=O)N2CCCC2)CC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854573 HNJTVFNRXBRTOY-UHFFFAOYSA-N 428.489 1.818 30 10 IDEE CN1CCn2c(CCNC(=O)c3cccc(COc4ccccc4C#N)c3)nnc2C1=O 1644781679 JULGRTIAPJFFRR-UHFFFAOYSA-N 430.468 1.787 30 10 IDEE COC(=O)CCN(CC#N)C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1649011350 IDIJZSCRGRLAJU-UHFFFAOYSA-N 429.477 1.976 30 10 IDEE CN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)Cc2cccc(C#N)c2)CC1 1664223240 CCCOXLPBQGNLCI-NRFANRHFSA-N 426.542 1.363 30 10 IDEE C#C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1667039856 KTCNWEBZHVYPJJ-GOEBONIOSA-N 425.532 1.029 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N(CCN2CCOCC2)Cc2ccco2)[C@H](C#N)C1 1686055202 HENKQHZKZLSICE-IEBWSBKVSA-N 447.536 1.882 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)CCOC 1689847783 IBJCXWYTRFJMBZ-QGZVFWFLSA-N 437.548 1.618 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1690060901 LVSIIYUILQFCHS-HXUWFJFHSA-N 426.583 1.992 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690420928 UHZXXEJXYCTCTH-LSDHHAIUSA-N 426.587 1.548 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690481971 VDOJMDNJTPJDJL-INIZCTEOSA-N 442.524 1.253 30 10 IDEE C=CCN(c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1690543933 UKZVKTKFSVZTDA-UHFFFAOYSA-N 425.518 1.868 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690662650 CAXDYPYPZPTNGK-BTYIYWSLSA-N 442.476 1.540 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690675976 LNKPZSUTGXCPEZ-KRWDZBQOSA-N 447.561 1.481 30 10 IDEE CCNC(=O)C1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1695923597 HJOONSKUPHTUOV-HTAPYJJXSA-N 446.552 1.354 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CCO1 1698492464 CPRBDPVLZNYDSM-BBRMVZONSA-N 434.859 1.829 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2n[nH]c(C)n2)c1 1705506852 KLORRFQDJKWFAI-KRWDZBQOSA-N 434.504 1.507 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1705639208 ITYLLJSGYKAXOK-YLJYHZDGSA-N 443.573 1.037 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1705655501 DZMIVBATTWCJMI-QGZVFWFLSA-N 449.964 1.925 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1705800468 YFZOTBRYDMJLGV-KRWDZBQOSA-N 440.614 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccon1 1705932967 PURWXXPQBMCABS-UHFFFAOYSA-N 445.501 1.942 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)CCOC1 1710482076 AEJAZFYNHXKUIQ-PGRDOPGGSA-N 446.552 1.452 30 10 IDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722340636 DIBISEDGAYLWJQ-UYAOXDASSA-N 430.597 1.820 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722367434 NGTQRQPOWAUGTB-YJBOKZPZSA-N 448.520 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1722389601 KLDBWVDTBGDNIC-HRAATJIYSA-N 447.561 1.469 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2Cl)CC1 1722436612 CMGFMLIZBDQEDY-SFHVURJKSA-N 447.992 1.832 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCS(C)(=O)=O 1722494136 MYXNEJBQNUCGNX-SJORKVTESA-N 439.582 1.366 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722534439 MZFAXKPVXWZTIP-HXUWFJFHSA-N 428.585 1.488 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1)C1CC1 1722650826 LVXNAMAJJXACPV-GOSISDBHSA-N 432.550 1.404 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722675252 LMQSOBKVSIXTEK-NRFANRHFSA-N 445.545 1.661 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722693814 AYHAYUBOZVLSLC-SFHVURJKSA-N 442.545 1.522 30 10 IDEE CCc1cnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)s1 1727425523 AXLHPGANQSFLIG-ZDUSSCGKSA-N 437.595 1.890 30 10 IDEE CCN1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1728599324 ULSJISGDZHJXLT-FMQUCBEESA-N 443.552 1.452 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1740599516 CDEPPOCTLMBFIA-ZDUSSCGKSA-N 428.522 1.100 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1n[nH]c(C)n1 1740663241 DBUWOEHCYZCYGX-UHFFFAOYSA-N 441.565 1.675 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740720353 VTIHYYVKINKFHC-RTBURBONSA-N 446.621 1.314 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1741656898 CICUNUFVTGMLTM-UHFFFAOYSA-N 441.536 1.478 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748815272 OBTNXTSDWZZFNE-AQNXPRMDSA-N 449.621 1.878 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1748824721 SBYGTIMEQCEYKS-GOSISDBHSA-N 432.546 1.888 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CC)CCOCC2)CC1 1749008570 CZZVTLBFNLFNQK-UHFFFAOYSA-N 439.564 1.851 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749227045 YSQFQOQROCCKKX-WOJBJXKFSA-N 445.612 1.427 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749269739 VKLWEBQSKTVKRB-INIZCTEOSA-N 431.928 1.745 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749368073 AINBMMWCNOJCHI-HOTGVXAUSA-N 436.582 1.339 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@H]1OC 1749598174 SQMVYBRHZOMSHP-CRAIPNDOSA-N 433.509 1.696 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CCN(C)CC2)C1 1749708139 HYAOEXXYZGVGJR-SJORKVTESA-N 434.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCC[C@H]21 1749721926 WRVAMXHQZWJKBS-HZPDHXFCSA-N 430.534 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749729290 GBGMGTVYBPKMDW-AEFFLSMTSA-N 429.546 1.508 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 1749731548 GZSJCXKCPKAOLN-OAHLLOKOSA-N 438.941 1.515 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750662791 DMPNWWIJBWDCFP-RXVVDRJESA-N 429.546 1.991 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCOC(C)(C)C 1752280505 DQDXACHBUUXLAW-IRXDYDNUSA-N 440.552 1.974 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1760183659 QCWFCBOJYAHZMY-HNNXBMFYSA-N 446.920 1.965 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C)C(C)(C)C1 1760204774 BUNMGWMYCBEJAD-UHFFFAOYSA-N 444.587 1.615 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](F)COC)CC1 1760255308 GZIWOXORECGPDT-KRWDZBQOSA-N 435.525 1.088 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1760306192 DHPALXWTRIXEQP-QWHCGFSZSA-N 434.360 1.508 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1760460695 CBEIIOZIHNHHFC-UHFFFAOYSA-N 449.437 1.976 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760464144 AQCIBDRUHZHOIN-HOTGVXAUSA-N 446.581 1.303 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760524846 LERNPPUQKPZDAC-INIZCTEOSA-N 441.486 1.626 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(CCN(C)C)CC2)C1 1760542054 JKSOLNIQVOYIBI-LEWJYISDSA-N 432.613 1.837 30 10 IDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(N)=O)C1 1760563840 GCASABQVQWYTLP-AWEZNQCLSA-N 449.606 1.469 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760761652 ZFQRUKVBAOZFEX-CVTQAYBASA-N 441.536 1.204 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nncn2C)cc1Br 1761760848 VTMTWUISSQLUKV-AWEZNQCLSA-N 443.309 1.922 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)cc1C 1761808884 HFZVZENTMKMMCR-KRWDZBQOSA-N 446.533 1.311 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 1761961829 YPGKTKOSHRKAIL-IEBWSBKVSA-N 449.490 1.861 30 10 IDEE CCOCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1766397532 JDOMDRLEWBKYNJ-UHFFFAOYSA-N 441.536 1.462 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1768634539 RPZKXHCVKQFMNY-LJQANCHMSA-N 438.532 1.962 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1=O 1771137682 FNBHVAUVAIWIEM-UHFFFAOYSA-N 436.472 1.762 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCOC1 1771196188 YWTSDRNJCSYHMY-HOTGVXAUSA-N 442.520 1.964 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1771369074 VLHNWQLLRQNCCZ-OTWHNJEPSA-N 444.561 1.465 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@H]2CO)C1 1771530623 PKTAPMVIQVWSCS-UGKGYDQZSA-N 427.528 1.943 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1772889332 ZUKJFDFFEWODCG-LMQGHGSNSA-N 441.532 1.987 30 10 IDEE COc1ccc(-c2ccc(=O)n(CC(=O)NCCN3CCC(C#N)CC3)n2)cc1OC 1850011310 IXHRTEOVANXKTG-UHFFFAOYSA-N 425.489 1.279 30 10 IDEE C[C@H]1CC(=NC(=O)CNS(=O)(=O)c2ccc(F)cc2)NN1c1ccc(Cl)cn1 1852360460 XKZOTDUSAZYICI-NSHDSACASA-N 425.873 1.881 30 10 IDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)CO2)nc1 1852449963 YYSNWDTZUGMGIY-DOTOQJQBSA-N 428.395 1.944 30 10 IDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccccc1Cl)C(C)C)[C@@H]1CCN(C)C1=O 1852959279 BUOHXKOGVQXPLV-NVXWUHKLSA-N 427.954 1.888 30 10 IDEE N#CC1(c2ccccc2)CCN([C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)CC1 1853773529 NQMTTWDAPLRUAX-IEBWSBKVSA-N 429.542 1.496 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854591316 VYHZKVISESEUSU-HXUWFJFHSA-N 431.558 1.889 30 10 IDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)OC1=O 1855064701 ZGXSVPYTKWCGJL-MRXNPFEDSA-N 427.429 1.768 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC(C)C)CC3)OC2=O)CC1=O 1855148937 HBNYXOVTTNRUJM-IAGOWNOFSA-N 441.550 1.066 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)[C@@H](C)C2=O)CC1=O 1856317868 LMMRHHVKRZRCNF-IRXDYDNUSA-N 433.530 1.086 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)CCC)c3ccccc32)CC1=O 1857421409 KMBYBIKHXLLPIW-CVEARBPZSA-N 433.530 1.919 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862743382 ATUYKLLUEHKINE-INIZCTEOSA-N 429.341 1.779 30 10 IDEE N#Cc1ccccc1NC(=O)CNC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1 1868144467 FKADOOYVYCYPDW-UHFFFAOYSA-N 431.496 1.985 30 10 IDEE CC#CCN(CC(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900619589 BPJKHJTZLWAKLI-HNNXBMFYSA-N 425.526 1.733 30 10 IDEE CC(C)(C#CC(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1993921346 OUUQGBSGNTVVON-OAQYLSRUSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1COC1 2060624797 CHEKDSVQKAERFQ-AWEZNQCLSA-N 434.302 1.254 30 10 IDEE CC(C)(C)OC(=O)NCCSCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243677191 SIQKPOLNTJTDGQ-UHFFFAOYSA-N 444.388 1.456 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255711924 GKSUKPZVPUBWJI-OAQYLSRUSA-N 436.314 1.992 30 10 IDEE Cn1nc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267129188 YFWZVEAVVQKWLJ-QHCPKHFHSA-N 440.353 1.086 30 10 IDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1NC(=O)OC(C)(C)C 2267265907 LSTWKUQHUKLLBS-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267558690 FNIZQVRJTHCSPN-QFIPXVFZSA-N 449.357 1.806 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2267581019 MQCACNYTANSGGX-RDBSUJKOSA-N 447.345 1.242 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269073010 FGJORRUIRLVCLA-WMLDXEAASA-N 441.293 1.564 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC([C@H](C)C#N)CC1)NC(=O)OCc1ccccc1 2286047415 GPEVAVYFTIGAKU-CRAIPNDOSA-N 437.518 1.656 30 10 IDEE C=CC[C@]1(CO)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2287689531 AMGBQQADPANDFK-XLIONFOSSA-N 440.518 1.346 30 10 IDEE Cc1ccc(C#CCO)cc1CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2296197437 ISQZHPMJBNZGHT-UHFFFAOYSA-N 426.494 1.445 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334263848 PDYYXTKCYWQTBG-FVQBIDKESA-N 446.357 1.847 30 10 IDEE C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)Cc2ccccc2C(=O)O1 13028052 YGGDLZKQMXIXBO-QFIPXVFZSA-N 439.493 1.563 30 10 IDEE CSc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443831 LFAZAECGWXWYCA-CABCVRRESA-N 438.513 1.417 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1 72444333 VYMGTMLUQHMNSX-LSDHHAIUSA-N 441.875 1.990 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 238841296 HVCNFSOFNDJNNL-KRWDZBQOSA-N 441.513 1.816 30 10 IDEE CC(=O)N[C@](C)(C(=O)NCCOc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 430675982 GYVWFZCGYGYEPU-NRFANRHFSA-N 429.498 1.508 30 10 IDEE N#CC1CCC(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 440994400 WALAEKLKKATLLG-UHFFFAOYSA-N 434.562 1.978 30 10 IDEE COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 465267216 PDZQIEHCRGEGKS-QGZVFWFLSA-N 428.514 1.814 30 10 IDEE COc1ccc(-n2cc(CNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)nn2)cc1 482836720 HUFIIBZMHZXWQN-CQSZACIVSA-N 440.485 1.131 30 10 IDEE N#C[C@H](C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1nccc2ccccc12 483226347 IPBHVKVLGHBUFB-IBGZPJMESA-N 434.477 1.845 30 10 IDEE N#Cc1c(CCCNC(=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)nn(-c2ccc(F)cc2)c1N 503280687 FVELOAVNPHWPFS-NHJGBSBYSA-N 431.471 1.841 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@@H]1CCCO1 507077412 GVKAKLFHAIMMCZ-KRWDZBQOSA-N 429.517 1.566 30 10 IDEE N#CCCN(Cc1ccccn1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 507450497 MGYIGPDKKSCNND-UHFFFAOYSA-N 434.543 1.971 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 507473075 UFMSDCHEGIMCMD-FCCDEINASA-N 435.550 1.660 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C)CC1 508491085 FKWVHBULXAVPQL-LJQANCHMSA-N 446.577 1.432 30 10 IDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CCC(=O)N(C)C)CC1 508718218 VRXRQDLXSFVPSN-UHFFFAOYSA-N 428.537 1.652 30 10 IDEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508896847 UTUHSRBZTFJGKV-UHFFFAOYSA-N 443.515 1.942 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCCC2)CC1 524486541 ABGOLQSGFSPYPP-SFHVURJKSA-N 441.532 1.097 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)c(F)c3)n2C[C@H]2CCCO2)CC1 549458669 CGHRTJTWRQGALN-LJQANCHMSA-N 442.539 1.996 30 10 IDEE CCN1CCC(CCNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 561882162 VPXMVZQEPTVZQG-UHFFFAOYSA-N 425.577 1.831 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1Cc1ccccc1 565574267 WLQRYNRLRUFRGB-UHFFFAOYSA-N 445.544 1.996 30 10 IDEE N#Cc1c(F)cc(CNC(=O)COCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1F 583276041 JCVKAVKQNVOLRK-UHFFFAOYSA-N 434.349 1.936 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC([C@@H]4CCOC4)C3)nnc12 684349554 HPVCEHZHIXLORR-CQSZACIVSA-N 425.514 1.817 30 10 IDEE C#CCN(CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 731213843 VVJMIZUDMIYMFD-CQSZACIVSA-N 431.436 1.725 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCN1C1CC1 732673606 AOUCDXXUKJJGEB-RBUKOAKNSA-N 447.561 1.026 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795303 ASJZXISHYWXOEE-QGZVFWFLSA-N 443.573 1.141 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc2c(c1)OCO2 735294605 AYAOUPVFZSAMCO-UHFFFAOYSA-N 440.444 1.235 30 10 IDEE C[C@H](CC(=O)N1CCN(C(=O)C2CCCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742588217 XCTQQRXJZHJHIJ-MRXNPFEDSA-N 446.573 1.755 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1C#N 747495079 IIVGWCOXJNWJIW-UHFFFAOYSA-N 444.513 1.851 30 10 IDEE C[C@H](CC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 765704145 GYTKEADGMPLEFB-WQGACYEGSA-N 433.452 1.666 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 765711396 RHJXKHWKOPGMMB-LRDDRELGSA-N 433.452 1.667 30 10 IDEE C#CCN(C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)[C@H]1CCS(=O)(=O)C1 767320332 NFNSFJXKZBSBBU-LBPRGKRZSA-N 448.360 1.424 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c(C)c1 768420491 GDELFKMGOOHFHM-KRWDZBQOSA-N 443.577 1.632 30 10 IDEE C=CC[C@]1(C(=O)O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 791717061 OZVMHGREGGXWOI-IVZQSRNASA-N 437.537 1.988 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(c3ccc(C#N)nc3)CC2)CC1 796050117 OATGKZOVVRMFDL-UHFFFAOYSA-N 428.537 1.545 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 1124723864 DGSIDXZVZHNBEA-HNNXBMFYSA-N 446.920 1.925 30 10 IDEE CCOC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccncc1 1129796948 MNKVFMRTPWNGRM-SFHVURJKSA-N 430.486 1.698 30 10 IDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)C1CCOCC1 1131256773 GAIKLOVFQNVFMU-IBGZPJMESA-N 449.529 1.849 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1F 1138759089 IBHCYIWANAAYIE-QGZVFWFLSA-N 426.379 1.383 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)cc1 1140994840 WGNWXLZOPGZISY-NDEPHWFRSA-N 442.559 1.067 30 10 IDEE C=CCC1(O)CCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 1155857204 FFCZTIPCXHYWIY-UHFFFAOYSA-N 439.257 1.810 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1272605927 KZDWTROFRPDODK-LRAJWGHMSA-N 426.510 1.794 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286336790 XWPPOMSGQZDKSH-GOSISDBHSA-N 443.596 1.399 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286389461 KJUHAYHIHNHBBZ-LJQANCHMSA-N 436.541 1.913 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)CN(C)C1=O 1286463491 PMXWGWDEERGAIG-JOCHJYFZSA-N 427.505 1.527 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1286470332 UCHAFOFQNXBGFO-MAEOIBBWSA-N 443.552 1.917 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)CC1 1286652193 UBNDURDXFPGOSH-HNNXBMFYSA-N 428.628 1.340 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1286787426 FTXWOOYOFGOFED-QGZVFWFLSA-N 431.541 1.206 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)NC)CC1 1286792274 SURFEQJAKNWBIB-UHFFFAOYSA-N 441.536 1.183 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCCN3C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286792759 HBMNFUDCOGAUHH-NPPFBWRTSA-N 432.569 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(NC(C)=O)CC1 1286821222 DUVOYFKJYALDJX-UHFFFAOYSA-N 445.589 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCOC2(CCOCC2)C1 1286825594 SZTGWKDRSUXPNM-MRXNPFEDSA-N 426.539 1.116 30 10 IDEE C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1288608095 VJJKKQMYMKJQQO-CRAIPNDOSA-N 427.465 1.303 30 10 IDEE C[C@H](Sc1nc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cs1)C(N)=O 1290046204 OKLDDFYUVDCBQY-AWEZNQCLSA-N 429.571 1.868 30 10 IDEE Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290872258 WJFKRRGKMVMGNX-VVLLMFOMSA-N 427.431 1.186 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C)CC2)c1 1298096566 DWJQFHKRZCARTI-INIZCTEOSA-N 430.534 1.724 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](N1CCOCC1)C(F)(F)F 1300267753 JPVQSTHGJSXMCP-ZBFHGGJFSA-N 444.502 1.918 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300665951 UIOZDLDYAHQYJO-KRWDZBQOSA-N 438.454 1.689 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1300699518 DUGHUABJOGZJDV-NRFANRHFSA-N 436.560 1.725 30 10 IDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300989527 CQZSXURQNDGIDQ-UHFFFAOYSA-N 432.569 1.340 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301505934 CNSCCCMJKXHTAS-UXHICEINSA-N 425.533 1.864 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301508118 DVSCNIXWCABQKJ-CALCHBBNSA-N 430.553 1.836 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCOCC3)nc2)C1 1301566221 NUVDUJWLMFRVKS-IBGZPJMESA-N 428.537 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCOC1 1301567349 HNIGQBGCXCYXTD-GOSISDBHSA-N 447.561 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1301575096 BKZWXTBDLVHWHB-LPHOPBHVSA-N 445.545 1.658 30 10 IDEE C#CCC1(NC(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CCOCC1 1311349470 PAXHTYOPAIUQAY-LJQANCHMSA-N 431.533 1.949 30 10 IDEE COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)nn1 1350885096 QXUJTZHIAXWDTF-RELWKKBWSA-N 434.522 1.770 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1358930377 UHJNPRJJBZYKFD-GOSISDBHSA-N 435.594 1.726 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@@H]1C 1358948415 BZHJETZUYSYGEJ-BZSNNMDCSA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(N(C)C)CCSC1 1358948663 HWCXDRRVNFSXQP-JOCHJYFZSA-N 440.621 1.959 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358960922 OIARCRQELKDQJK-MOPGFXCFSA-N 429.546 1.926 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1358992752 VYDTWIIRBKBXBE-UHFFFAOYSA-N 438.513 1.492 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1359010805 ZTKQNIUJTMHSSE-KRWDZBQOSA-N 439.582 1.156 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359126177 HSYHSHRYLDANTP-GOSISDBHSA-N 447.584 1.591 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1359128451 UNFCPWHWPFMCGQ-UHFFFAOYSA-N 433.534 1.220 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1359258444 QROOYEXDGRTGAA-ROUUACIJSA-N 429.546 1.857 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(CC)n1 1359281462 AKCOFBXHZRKTLT-AWEZNQCLSA-N 425.580 1.886 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCOCC2)C1 1359323461 PIORAUMTLNKKNA-QGZVFWFLSA-N 446.577 1.697 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1 1359332691 DSBKEWDSIUSTLQ-KRWDZBQOSA-N 438.575 1.417 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CC1 1359561157 OWMOKDWDMFILRC-IFXJQAMLSA-N 436.488 1.553 30 10 IDEE C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439794818 IWGCJUURUHUKAG-KGVIQGDOSA-N 431.558 1.950 30 10 IDEE C=CC1(CC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1445289279 SCQUEZGSXGYATC-MRXNPFEDSA-N 429.583 1.377 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1454718800 YXUCUUQEEKQWME-OAHLLOKOSA-N 426.491 1.140 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2ccc(I)cc2-n2cnnn2)C1 1455705947 QNAISUTYIJXURG-ZDUSSCGKSA-N 436.257 1.094 30 10 IDEE Cc1cc(NCCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n2ncnc2n1 1465585792 DHAYPEVJMZKCFN-UHFFFAOYSA-N 427.509 1.611 30 10 IDEE COC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C(=O)OC)C1 1466318226 SKPMPBHIXLELGQ-FUHWJXTLSA-N 445.321 1.861 30 10 IDEE N#Cc1sc(NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1Cl 1466806096 IDOGXEFBSKFTTJ-UHFFFAOYSA-N 433.943 1.763 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO 1499306793 FQJULDRLKOVQJD-WOJBJXKFSA-N 437.548 1.378 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1503437685 DICSRFUZIGGIAN-WJOKGBTCSA-N 442.545 1.023 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC2CC2)c1 1505120784 AYCKLSGJRKAPEA-UHFFFAOYSA-N 442.545 1.615 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)o1 1505315825 BYZYUZMGERGYSB-HNNXBMFYSA-N 437.426 1.817 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C1CC1 1507521972 SMQGXBPVVJXMTN-QVKFZJNVSA-N 431.562 1.814 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CC(OCC)C1 1507537390 LBLDJJLSYBKKTM-RNQSCQIESA-N 438.576 1.992 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2ncn(C)n2)c1 1507551101 ANMATKQRQQXQPK-UHFFFAOYSA-N 441.499 1.497 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507593672 SVCBXOYQVPFRSA-UHFFFAOYSA-N 446.559 1.979 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(=O)Nc2ccc(F)cc2)n1 1507716874 NXISVPFXJLTYTG-UHFFFAOYSA-N 425.468 1.847 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCC2(F)F)CC1 1507722162 QKOWOWGUTNCRTC-HOTGVXAUSA-N 444.552 1.469 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507843105 HVDRIKNDJBOYSD-HUUCEWRRSA-N 430.475 1.895 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1508059618 XZCGCUZDMHKAFL-CQSZACIVSA-N 434.522 1.061 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1508388709 ANHJMMPELAUWAJ-NRFANRHFSA-N 448.531 1.753 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1509787242 AULYTNYKMPUXOV-UHFFFAOYSA-N 448.549 1.283 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1C 1515812338 FJFHVNKYLLPHFV-JKSUJKDBSA-N 431.566 1.285 30 10 IDEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1516978744 DEFRFVPZNMZSDX-HXUWFJFHSA-N 437.548 1.628 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1517024987 YMAXEZWHINKHEF-ROUUACIJSA-N 426.477 1.509 30 10 IDEE CN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1517173506 LKIFEODGHBSPAF-STGLLQLASA-N 441.517 1.454 30 10 IDEE C#CC[C@@]1(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1517333802 MDCKGXSQXCWFIV-FQEVSTJZSA-N 427.567 1.662 30 10 IDEE COc1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1518341981 BVIAEOIGFTZVPU-GOSISDBHSA-N 426.477 1.217 30 10 IDEE CO[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1OC 1519504649 CQWBIGAKBRTJGF-LJBKCZKGSA-N 430.509 1.312 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC 1535092219 WTWGVWIDWLQWJG-CQSZACIVSA-N 431.894 1.812 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OC 1535347086 NSOMGVLEKHAXQD-GDBMZVCRSA-N 436.486 1.248 30 10 IDEE Cc1occc1C(=O)Nc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1536180487 UEKNXROTTDYEPA-SGTLLEGYSA-N 434.499 1.236 30 10 IDEE Cn1ncc(I)c1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 1536458471 KYVUKQJDYOVXTC-HNNXBMFYSA-N 432.262 1.903 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1539017001 WYPBTTAXDJHILC-JENIJYKNSA-N 431.562 1.873 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539053111 ZIYLOOHTJHXGAP-PKOBYXMFSA-N 441.557 1.867 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1539201964 DCMHMFQHWDIIIQ-SJORKVTESA-N 437.610 1.755 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1539202159 GLFAVDJMCOMSLP-INIZCTEOSA-N 449.602 1.656 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539215810 JKKCOILOXJMPNR-RXVVDRJESA-N 432.521 1.829 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCNS(=O)(=O)CC 1539541506 IFAJERZAOFFUHB-WOJBJXKFSA-N 439.582 1.252 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539705068 NSVWEJYNIYIDGJ-KRWDZBQOSA-N 429.525 1.805 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1540868531 IQWUISURZYJIPC-GOSISDBHSA-N 435.488 1.322 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1540870457 NVSUSMOLMOUQSS-KURKYZTESA-N 448.568 1.189 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)CC)CC1 1540902686 OJOQYRSTWNZGRH-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1547229459 GWFRTODNOBCBFS-UHFFFAOYSA-N 448.535 1.636 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1554284647 HMYMXUKUOUKFHX-UHFFFAOYSA-N 428.562 1.950 30 10 IDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1554346537 HNFDBYCTWLEHGB-FQEVSTJZSA-N 443.508 1.616 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1555494354 MKJZZOQDJUEWMI-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1555615746 UFSAZIUDWQKVTP-VGSWGCGISA-N 428.537 1.577 30 10 IDEE CCn1cc(C(=O)N[C@H]2CCN(O)C2=O)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1556750771 VMTPUXCGKUTCCA-INIZCTEOSA-N 447.923 1.147 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@](C)(CO)Cc1ccc(Cl)cc1 1557997169 CIDNOTIOSDDUTH-VLIAUNLRSA-N 435.933 1.988 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(Cc1nn[nH]n1)CC(C)C 1558162118 GOGSYMVJRBIRBI-OAHLLOKOSA-N 433.538 1.482 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cncc(C#N)c1 1558450559 XYIUPLGNUSRCNB-SFHVURJKSA-N 430.486 1.299 30 10 IDEE COc1ccc(Br)c2[nH]c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc12 1558805029 CCVPYTQMSMFPJA-UHFFFAOYSA-N 444.245 1.770 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)c(C#N)cn1CC 1562960203 FXIDWTPXRJTZHO-UHFFFAOYSA-N 426.477 1.885 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1587639467 LXUOMRPZPQBVHL-SJORKVTESA-N 439.582 1.154 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1588219349 QRGNLGUUHUQUCY-QHCPKHFHSA-N 448.552 1.523 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1588283702 CNYLWWJALBJCIR-UHFFFAOYSA-N 439.501 1.384 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CSCCS1 1588695117 DOTRKNAXLMHXNM-BBWFWOEESA-N 426.608 1.937 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1589059389 FHMRDNRKQXJNRF-FGTMMUONSA-N 432.594 1.143 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C 1589070589 VCKFKLKJRSUGSF-PMPSAXMXSA-N 427.596 1.212 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)C2CC2)CC1 1589133921 BXMRLVXNWNQKIJ-HKUYNNGSSA-N 447.605 1.864 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1594455527 QYVVGFXBJYZVRA-HZPDHXFCSA-N 436.586 1.924 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1594962590 MIIRQUCAQCPOGE-CYBMUJFWSA-N 431.971 1.996 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595603078 XEQNLGVYEZTJJF-PGRDOPGGSA-N 445.520 1.792 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615880688 MWGHIOLFTMHLQU-NNMXDRDESA-N 433.576 1.888 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)C1 1615972483 DWSURCYGUOWSIQ-WIYYLYMNSA-N 444.561 1.496 30 10 IDEE N#C[C@]12CN(C(=O)c3cnn(-c4ccc(Br)cc4)n3)C[C@H]1CS(=O)(=O)C2 1616336833 RWSNOPLAGVQVCO-MEDUHNTESA-N 436.291 1.040 30 10 IDEE C[C@@H](NC1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCOCC1)c1ccccc1 1617245568 GDJULMRRMXOAHP-MRXNPFEDSA-N 425.489 1.227 30 10 IDEE COCCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619824301 RWEJHKBXVOSZCF-UHFFFAOYSA-N 425.493 1.362 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)OCC 1624304685 YLPICHSRLFCNCS-NXOAAHMSSA-N 428.551 1.110 30 10 IDEE N#Cc1ccc(OCC(=O)NCCS(=O)(=O)NCC2CCC2)cc1Br 1628150003 GLIHADNSVLGDLB-UHFFFAOYSA-N 430.324 1.535 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)nnc1-c1ccco1 1636316983 NBLGPYJYSSENJW-OAHLLOKOSA-N 445.545 1.696 30 10 IDEE COc1cc(C(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(OC)c1OC 1639174864 COLDDNNMYQPGSW-XOBRGWDASA-N 436.486 1.072 30 10 IDEE COc1cc(N)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1S(C)(=O)=O 1642903442 NTOPIOUKKHFPRF-UHFFFAOYSA-N 432.477 1.654 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1644467151 XLKGGQYYNWMLKT-LZWOXQAQSA-N 428.938 1.642 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)ccc1F 1645689074 SCZZGRWSFIWQHB-IFXJQAMLSA-N 425.482 1.641 30 10 IDEE C[C@]1(C#N)CN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCO1 1647991182 NULMXGJCNZUJFI-AWEZNQCLSA-N 425.816 1.778 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 1649077384 QGFFVMKWTPMZAB-CQSZACIVSA-N 448.545 1.631 30 10 IDEE COc1ccc(C[C@H](CO)CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1Br 1655361566 ICMOLCKCNIHPDM-OCCSQVGLSA-N 434.356 1.677 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)c(Cl)cc21 1667096366 STMNFUBISBGUFL-ZCXUNETKSA-N 438.893 1.054 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)CC1 1682822964 QMGAEPKYONOZLD-KRWDZBQOSA-N 447.561 1.059 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 1683811971 GYSWQVDLYJBAKY-UHFFFAOYSA-N 447.543 1.976 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1689990950 TVVOPUJVQJVULK-ZWKOTPCHSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1690039420 FFOHHRSWEFNLFN-HSZRJFAPSA-N 449.536 1.506 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cccc(C)c2)CC1 1690129249 RZERHGHCQZXHLL-UHFFFAOYSA-N 443.555 1.758 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCN(C)C2)CC1 1690133537 KPGYGWXADJSFPI-DEOSSOPVSA-N 438.576 1.241 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690285780 NNFNGASUTNDPSF-GOSISDBHSA-N 444.561 1.457 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCC(F)(F)F 1690674798 FWPBWGHOFINLNE-UHFFFAOYSA-N 430.456 1.960 30 10 IDEE CC(C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1691772673 ZNTBCFUYEQEASI-ZZEZOPTASA-N 429.525 1.410 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693399347 YJYJRVKZXXTUKB-MRCUWXFGSA-N 438.536 1.744 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCCN2CCOCC2)cc1 1698488191 LYVUOUHPRNCJDO-UHFFFAOYSA-N 428.562 1.498 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@](C)(O)CC)c1 1705508411 UYFQCUYFBGQHBL-HSZRJFAPSA-N 438.532 1.618 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705526876 NFPUUZSPCHBOJA-UHFFFAOYSA-N 433.516 1.804 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1705572852 QUODTSDJXQSHPO-JGCGQSQUSA-N 446.536 1.925 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1705878420 OVJPCKIDHGNPRP-DENIHFKCSA-N 446.573 1.567 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1705898785 XQFQYPYKZDJVSC-JOCHJYFZSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705899477 UPDMOVYPMDENRA-QGZVFWFLSA-N 443.515 1.624 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1706073864 RPUWIXLZEWNABQ-RCDICMHDSA-N 434.504 1.266 30 10 IDEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1706548683 BWJXEHBLSNKJCQ-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1708326210 WKAWFSLEYIFFJT-PGRDOPGGSA-N 425.537 1.926 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1709328095 HWUBNBNPKZOSMT-MOPGFXCFSA-N 444.561 1.856 30 10 IDEE CCOCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1710709101 ZBQXNUQEDDEGPG-OAHLLOKOSA-N 436.538 1.435 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712266441 LKGRBSZFNVNFJR-XOMICKMZSA-N 437.504 1.648 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@H]1OC 1712681685 GFERXCUGTWQJHV-KDURUIRLSA-N 427.505 1.598 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCOC 1722296043 ZMFNFONKAAJMHI-YWZLYKJASA-N 434.566 1.484 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1722359096 PVZNGTZCCFDABN-MRXNPFEDSA-N 425.624 1.251 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)n1 1722380765 XONCUKNASUEALA-UHFFFAOYSA-N 427.472 1.428 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)OC(C)(C)C)CC1 1722446478 XQZWEQCORMYYRR-UHFFFAOYSA-N 441.536 1.764 30 10 IDEE C=CCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722690251 CLAIJCQTUSHLRW-APWZRJJASA-N 427.571 1.270 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722736610 CJFGLYYAOTYGLZ-JKSUJKDBSA-N 441.554 1.445 30 10 IDEE CC(C)NC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1723658938 RLEMBLSROCCBKY-YGCDDZCOSA-N 443.552 1.275 30 10 IDEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1728720193 CDIZBGFFSJRHHY-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1729154118 MISNTOMPHMAPJO-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1730784596 CJGOHPYTSWVQKB-WJOKGBTCSA-N 442.589 1.886 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CC=CCC1 1730870725 QSKAPHCGZQKETL-QUCCMNQESA-N 429.569 1.441 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740795626 ZNKMEEXRWDDRBH-FUHWJXTLSA-N 431.541 1.949 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1740881071 WKSUQOMQTIQRGV-UHFFFAOYSA-N 431.516 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740990885 IWCKHIFZSZUHIN-GJZGRUSLSA-N 425.555 1.081 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1Cc1ccc(C#N)o1 1741928592 SRUOBHNUCXXPOQ-ACJLOTCBSA-N 436.563 1.735 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)no1 1742134499 IFVYZWPUMUMUBR-SFHVURJKSA-N 442.501 1.697 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748802431 PXNKAHKMFCITOO-LBPRGKRZSA-N 442.423 1.114 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1749065778 BIXOCYPURFIXKG-MBOZVWFJSA-N 437.566 1.030 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749450995 ZZQQBUXXZXXADE-HOTGVXAUSA-N 432.525 1.489 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)NC1CC1 1749482497 JMKXJWJMCUIYFD-UHFFFAOYSA-N 431.566 1.919 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1749528292 KVOLBPPRRXPVKQ-GOSISDBHSA-N 426.521 1.909 30 10 IDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C(C)=O)CC1)C1CC1 1749528326 LQZVKYPQKGHSTN-ICSRJNTNSA-N 432.569 1.321 30 10 IDEE COCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1749674338 UHWBRQNGKMMYFM-QGZVFWFLSA-N 440.570 1.168 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)N2CCOCC2)C1 1749718497 WSZQYVVKBNTNSD-FQEVSTJZSA-N 441.532 1.540 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749729787 SBKKEDJPWZBZPY-UTKZUKDTSA-N 447.561 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1749738193 INJAATFGIWUFBF-GOSISDBHSA-N 440.529 1.611 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1749760646 KIOXDFJNNVVAAN-UHFFFAOYSA-N 432.594 1.815 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCC(O)CC2)CCOC1 1751006222 FFMZBNJOBKCPLN-XMSQKQJNSA-N 434.585 1.904 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760157448 PLJGJZRQCHMGFM-AZUAARDMSA-N 441.580 1.921 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCC(F)F 1760165191 LOCRRLWMHVDDNW-UHFFFAOYSA-N 426.493 1.898 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1760195209 YYTCIYWQNCKRSX-MRXNPFEDSA-N 439.545 1.470 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760285455 GWOXFYYGSDRFRB-INIZCTEOSA-N 442.545 1.446 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1760513945 KYPLMSQNMNALQN-SJORKVTESA-N 434.541 1.877 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1768335633 KNHGZVBJWSZIPV-HKBQPEDESA-N 446.577 1.848 30 10 IDEE CN(C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1768417272 AMRCDOPXUNNHGD-KRWDZBQOSA-N 429.525 1.034 30 10 IDEE CN(C)CCOCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768518240 HZGWNYXQTWBTNA-GOSISDBHSA-N 427.528 1.839 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N(C)C 1770203825 VFUGYEXWMDXNPG-DOXZYTNZSA-N 441.536 1.487 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1770790747 BJIUPVLOIRRMBR-IRXDYDNUSA-N 427.484 1.412 30 10 IDEE O=C(NCC#CCN1CCOCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1850333808 HHDQDLCKYOZDOQ-HNNXBMFYSA-N 445.994 1.397 30 10 IDEE N#Cc1ccc(C2CC2)nc1C(=O)OCCN1CCN(S(=O)(=O)c2ccccc2)CC1 1851311709 FACXILZLKRZHSA-UHFFFAOYSA-N 440.525 1.994 30 10 IDEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 1851433683 QJTSVGQRCXYSGH-UHFFFAOYSA-N 429.480 1.885 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2cncc(Cl)c2)C1=O 1854337984 IIZPTRBBURUQCB-QGZVFWFLSA-N 425.880 1.348 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)CC(F)(F)F)C3=O)CC2)CC1 1854366237 CKQBIAXSOYNFFN-INIZCTEOSA-N 428.455 1.931 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CCCN(C4COC4)CC3)C2=O)c1 1855830724 BSUYNQHWQRUPJI-HXUWFJFHSA-N 430.936 1.944 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@H]2CCOC2)C(=O)C12CCCC2 1856266463 IPVJCIMXUZPISA-MRXNPFEDSA-N 431.514 1.657 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc4ncccc4c3)C2)CC1 1857042462 YPTJDBZQDSTYEL-SFHVURJKSA-N 426.498 1.789 30 10 IDEE C=CCN(CC=C)C(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1862251673 ZATOQONZJCDADX-UHFFFAOYSA-N 441.937 1.291 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)N2CCC(O)CC2)sc2c1CCC2 1872636936 LPXYHDGSKNKMIA-UHFFFAOYSA-N 431.474 1.035 30 10 IDEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562128 OLYGUXBGSSTIMV-HDICACEKSA-N 426.565 1.850 30 10 IDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc[nH]3)CC2=O)cc1 1874199705 UZMVKAPCVIVYBK-YCYNJWQJSA-N 439.501 1.595 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900451328 MSABPBCZJKVCCX-LLVKDONJSA-N 427.332 1.058 30 10 IDEE CC#CCN(CC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900617877 GIXVKTFAYPTQBG-OAQYLSRUSA-N 425.526 1.735 30 10 IDEE CC1(C)OB(C2[C@H]3CN(S(=O)(=O)CCN4C(=O)c5ccccc5C4=O)C[C@H]23)OC1(C)C 1959797230 KIXAPHHWSPDVAL-HOTGVXAUSA-N 446.334 1.636 30 10 IDEE C=CC1(NC(=O)[C@@H]2[C@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2022908797 VMLPISFTAYHNJH-SOUVJXGZSA-N 441.525 1.009 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H](O)C1 2141670074 KMCTWYMXPSODMG-HOCLYGCPSA-N 447.341 1.937 30 10 IDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2162568218 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Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2267186308 HWFQWAJWJGNMBR-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267280316 ONVWRWWHAMGRNC-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267545915 PCJYTVGSSLGSCC-KBPBESRZSA-N 449.361 1.347 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267596920 MPZVNXPRYBSLGH-JSGCOSHPSA-N 443.275 1.996 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@@H]2C2OCCO2)OC1(C)C 2282501565 YSRFQFRCJLOUGI-CQSZACIVSA-N 444.384 1.500 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(N)=O 2303499451 PPXUFERCAMMCMS-NSHDSACASA-N 426.333 1.022 30 10 IDEE COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)COc3ccc(C#N)cc3)n2)c1 13602022 OCVQJVLRVOBOEY-UHFFFAOYSA-N 434.452 1.994 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(C#N)c3)n[nH]2)cn1 59887107 WIEIATKSYNIJJA-AWQFTUOYSA-N 425.478 1.696 30 10 IDEE N#C[C@H](Cn1cnc(I)c1I)NC1CC1 308807245 PBKZFZLHEIOHRS-SSDOTTSWSA-N 428.015 1.736 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 427704514 KAUPCMUCEXFRDC-IRXDYDNUSA-N 435.480 1.597 30 10 IDEE COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443341490 LJHOGJGLJDMJEC-FHERZECASA-N 436.534 1.384 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 443692623 LOQHCCNRCJAILE-UHFFFAOYSA-N 425.860 1.967 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 478740720 ANVGXYMOIZBXFJ-HNNXBMFYSA-N 435.480 1.932 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C#N 515662310 MGSKXOCZDUFIPC-UHFFFAOYSA-N 430.464 1.691 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CCOC)[C@@H]1CCOC1 516349068 AXRMKEOMDWNNEO-MRXNPFEDSA-N 434.566 1.974 30 10 IDEE CC(C)N1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 517914237 JVARFKOGPQMKLH-GOSISDBHSA-N 433.578 1.695 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1 519199626 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10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3OC)CC2)cc1 734452718 LEIRDPIGASIUHM-UHFFFAOYSA-N 431.489 1.708 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)ccc1OC 745819652 OFBVOBSIOQUUDM-QGZVFWFLSA-N 440.504 1.502 30 10 IDEE COCCNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(OC)c(C#N)c2)cc1 746711454 WHOKQHBRWFMXPW-UHFFFAOYSA-N 432.502 1.491 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 750433743 GGNBSBHYYOFHGS-UHFFFAOYSA-N 445.472 1.316 30 10 IDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)c1 757210706 ZBLNFZFFEWNFIP-MSVBSMQLSA-N 443.504 1.356 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 758055339 ZZEDVLJQCKQKTQ-LBPRGKRZSA-N 440.346 1.999 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCS(=O)(=O)C1 774214603 XMARZOZYYPOUPI-HUUCEWRRSA-N 440.363 1.860 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774582292 LLAIQAWLNYORQF-JYJNAYRXSA-N 436.509 1.529 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(c3nc4cccc(C)c4o3)CC2)c1=O 780504247 SXVKPNUXSDFSSW-UHFFFAOYSA-N 437.500 1.830 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 782842024 JVCULECYFKKVHU-UHFFFAOYSA-N 432.868 1.977 30 10 IDEE CCn1ncnc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 794435790 XSTAOKGGVNDHML-INIZCTEOSA-N 447.540 1.637 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@@H]3CCCO3)c2=O)cn1 794579451 KLWXSOKSCWBMNV-INIZCTEOSA-N 428.558 1.814 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)NCc3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796422974 XELWPGDJRLBCEK-GHTZIAJQSA-N 437.500 1.839 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1 797320669 GIESTIUTSRAQOJ-OAHLLOKOSA-N 429.539 1.932 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800775762 SAVJCANWVMUYLT-AWEZNQCLSA-N 442.586 1.910 30 10 IDEE CC(C)CN(C(=O)CON=CC(=O)Nc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 809922490 QCMDLWGJZDXHSZ-CQSZACIVSA-N 429.926 1.953 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C#N)c(F)c1 813655746 MXOWDMQIGKDUSS-UHFFFAOYSA-N 440.497 1.397 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4cc(F)ccc4C3)CC2)cc1 1136149311 FWOGCMFLSMONCC-KRWDZBQOSA-N 429.473 1.782 30 10 IDEE C/C=C\C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1138132139 UDYMETUUZYFXRW-UABKOXTMSA-N 433.530 1.973 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)CC1 1140132644 LNGKLUPQCAWINP-LJQANCHMSA-N 430.505 1.008 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1S(=O)(=O)NCC#N 1158288074 JPLOZOMVCPANRI-LMMKCTJWSA-N 445.545 1.921 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1177758459 ACTRVXAKAALGGF-ZJOUEHCJSA-N 433.574 1.148 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]2C[C@@H]21 1179740192 RKMXWNDGPQJLGT-IRXDYDNUSA-N 434.518 1.712 30 10 IDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(=O)OC 1183669341 FATYFTWMZZULJG-FQEVSTJZSA-N 428.510 1.922 30 10 IDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCC1 1230585371 QQJMYWBBGFZBLN-UHFFFAOYSA-N 434.518 1.558 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1286296272 NVAADNUPCCNPBY-RDJZCZTQSA-N 446.552 1.571 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1286306713 XGMGTFWBTFVWGU-GOSISDBHSA-N 440.548 1.488 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOCC(F)F)CC1 1286474206 FFXOZLFXYHIJGP-UHFFFAOYSA-N 435.475 1.999 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286523108 VZEYJSSWKAHFOU-TXBYWVTISA-N 438.507 1.705 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286620163 GJSQBPOFGMBIIC-QWHCGFSZSA-N 439.991 1.044 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286700286 LKUQGONJIMMZIM-MSOLQXFVSA-N 434.566 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOC[C@H]1C 1286820089 DTXVVPAMCGVTMI-QAPCUYQASA-N 434.518 1.617 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)CC2)c1 1290526327 AUQHSAVYPJNYKF-UHFFFAOYSA-N 442.382 1.649 30 10 IDEE COCCO[C@H]1COCC[C@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1296593790 OOLTYTGSBZJXEY-AEFFLSMTSA-N 438.322 1.694 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC2CCCCC2)CCOC1 1296662048 BCEVMDOEIJPWDV-PGRDOPGGSA-N 446.552 1.498 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2 1297333585 CRIRBMWKFVSCIC-DCJQTDPBSA-N 447.532 1.811 30 10 IDEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1297558000 QJQBPOKJIDRDPL-LJQANCHMSA-N 436.513 1.674 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1299073294 MQPOTDSJEIBUAE-WOJBJXKFSA-N 438.532 1.975 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCN(C)C1 1301403238 WSPGTHSXHHDGBR-DEOSSOPVSA-N 438.576 1.702 30 10 IDEE CS(=O)(=O)NCCCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1302497955 IQNDAUCZIOXEJP-SFHVURJKSA-N 444.561 1.416 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1303628638 XUZGWFUNYOLFOF-LLVKDONJSA-N 444.359 1.713 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CCO1 1315011971 CUFQXBCRXKLUOJ-AEFFLSMTSA-N 426.546 1.911 30 10 IDEE COc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1315495924 BIYJJFFBZUDGGF-QAPCUYQASA-N 448.549 1.406 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c1 1315561345 FENPMPGRLABAEM-RHSMWYFYSA-N 425.493 1.406 30 10 IDEE COc1ncccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1315675930 CECMDEKLRREWJY-UWJYYQICSA-N 428.493 1.499 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1315733224 ARUDUEIBFHHHAD-YSTOQKLRSA-N 427.505 1.718 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCCN2CCC[C@H]2CO)CCO1 1316539906 HCLWQQGLWRECNA-RBUKOAKNSA-N 430.578 1.896 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccncc2)c1 1358902411 NMBZZWDJIVRKGY-FQEVSTJZSA-N 443.511 1.923 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358960901 NXTICQMCOVCHDL-VGSWGCGISA-N 445.589 1.852 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358963660 LWXISVAPVJTKHS-MJGOQNOKSA-N 429.546 1.437 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC(C)(C)C)CC1 1359032067 ZRBINBITRSUDTE-UHFFFAOYSA-N 439.520 1.913 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC 1359060830 IYHDPRBTSBASDJ-GOSISDBHSA-N 429.546 1.947 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359125431 CVEIIWBZAZEEEI-WMZOPIPTSA-N 441.536 1.399 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1359330187 JXUGWFWLDMDNTH-HNNXBMFYSA-N 434.518 1.554 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1359635436 CTISJVDNVBAUKJ-QFIPXVFZSA-N 425.537 1.092 30 10 IDEE C#CC[C@@]1(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 1437083519 NSQFYOGODLPWAM-PMACEKPBSA-N 426.535 1.196 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC 1440081474 SCBHLVMQSDVHLP-RBSFLKMASA-N 425.482 1.384 30 10 IDEE CNCCCc1[nH]nc(NC(=O)c2cnc(I)c(O)c2)c1C#N 1457524027 BPUMSXJJFCYWEN-UHFFFAOYSA-N 426.218 1.391 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1460855196 CASPDVNBQKKYEI-YKSBVNFPSA-N 447.495 1.820 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@]23COCCN2C(=O)COC3)s1 1462242115 SBDLFFFEOPUFDF-QGZVFWFLSA-N 431.967 1.583 30 10 IDEE COC(=O)Nc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(C(F)(F)F)c1 1463162881 IHZNDFYFVDSEHD-BLLLJJGKSA-N 431.392 1.894 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)CC1 1464846094 HTVIFLHNVNDBBV-DFQSSKMNSA-N 430.346 1.619 30 10 IDEE CS(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Cl)cc1Cl 1464928543 YHDPRUPDQGWKDE-JQIJEIRASA-N 432.285 1.653 30 10 IDEE COC(=O)CCSCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1467492053 FAOPBJLJWYESGK-OAHLLOKOSA-N 441.575 1.552 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1472049958 INEUEILDLMKDCX-INIZCTEOSA-N 436.534 1.960 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 1479551603 PYLIKSGHRAKCAZ-UHFFFAOYSA-N 445.520 1.809 30 10 IDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1503172140 SKOFHTYNXDSQSP-HXUWFJFHSA-N 426.521 1.975 30 10 IDEE COc1cccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1504340571 XVVSGEAIMIYLGU-VZCXRCSSSA-N 438.488 1.707 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CC1 1505320249 HMTBTTHHUHDZQH-MSOLQXFVSA-N 437.566 1.363 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1507536702 DLOONBOVNQBPKB-FCEWJHQRSA-N 445.545 1.245 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1507616295 IGEBHGQSKVYQBU-LJQANCHMSA-N 445.545 1.294 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507630115 SYTPGXILGKUSOR-MRXNPFEDSA-N 444.586 1.978 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507638816 HACWSWHUNFVGII-HNNXBMFYSA-N 436.509 1.394 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1507732007 ANJVBWAQJNZXMI-GOSISDBHSA-N 441.532 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC2(C)C)CC1 1507739064 LUCUFAGZAQQRKN-IAGOWNOFSA-N 433.578 1.192 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507847908 RTMRRJGCZDZKEA-RXVVDRJESA-N 430.597 1.812 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507982578 NHSLGZXJQGVRSC-BBWFWOEESA-N 425.599 1.690 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1508084143 IIPFPKNOUBRHPE-OAHLLOKOSA-N 444.561 1.522 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508141635 NQUKZAXFIROGQI-QZTJIDSGSA-N 438.594 1.904 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509633070 CGPVDKPRERWVCH-DXQAYGFFSA-N 427.509 1.179 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1517319755 HFWIQEGQAXBHES-UHFFFAOYSA-N 434.504 1.399 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1518642544 BBYSSYSEBFLWLD-SXGZJXTBSA-N 448.524 1.763 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@@H]1O 1520622285 LYOPHFGPQFZKEG-QAPCUYQASA-N 430.534 1.059 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3C(C)=O)cc2S1(=O)=O 1521710893 CHYIKMFTGUOWST-UHFFFAOYSA-N 427.438 1.804 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1538964308 IWNZHAUKCHKNPK-MRXNPFEDSA-N 432.550 1.544 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1539002244 RMKQMXVMDNTMRH-INIZCTEOSA-N 429.546 1.956 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCc1ccco1 1539002386 CLLQUSMZXMHZCU-AWEZNQCLSA-N 431.456 1.961 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1539371250 RMQCHNXRJZQQOB-KRWDZBQOSA-N 444.540 1.728 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)OC)c1 1539392204 NLFHEZNYYQRNQD-UHFFFAOYSA-N 428.493 1.729 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1539396960 VRUGJZGVFMDNIF-SJORKVTESA-N 449.581 1.057 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(OC)c(F)c2)CC1 1539430731 MRLZAUXNYXVYDG-QGZVFWFLSA-N 431.512 1.953 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCn2cc(CO)nn2)CC1 1539436211 NPQXVKDRFDNNPH-UHFFFAOYSA-N 434.548 1.437 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539518818 BAKVXFAXUBAGRJ-CQSZACIVSA-N 432.500 1.727 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540020290 SNGJYENUGJKMNT-UHFFFAOYSA-N 430.553 1.556 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540868218 WROQNYWEIHFLHC-UHFFFAOYSA-N 438.536 1.513 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1540916915 JUJXDDLOMAYUOU-INIZCTEOSA-N 429.612 1.767 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC(=O)N1C 1544723296 LHRIUUZCIRBUEA-INIZCTEOSA-N 435.532 1.790 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1547727188 AACQIMSFBUCMCY-SFHVURJKSA-N 436.564 1.027 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCCOC(F)F)cc1 1555988571 HLDAMLGJFJHELO-UHFFFAOYSA-N 434.447 1.917 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555996901 WPEMAKVSNPFHPM-DPPKGPFUSA-N 439.520 1.829 30 10 IDEE C=C(CC)CNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1564920851 QWYDLDDBOSUBDE-UHFFFAOYSA-N 429.564 1.381 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 1565590210 RIKTXPHHIKYBRK-IBGZPJMESA-N 440.313 1.079 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1565661889 PHJCLYOPPBRQKS-SQNIBIBYSA-N 449.349 1.971 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)s1 1583424083 PUNPIXLFNDNCDD-DEYYWGMASA-N 444.575 1.618 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)s1 1587102644 HKBWCOYNGCKRSX-GFCCVEGCSA-N 425.498 1.850 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)c1cc(I)ccc1-n1cnnn1 1587383746 VINWJNQKCWVYFG-LBPRGKRZSA-N 425.230 1.425 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1587621098 OKNKWOGCIWAITJ-HNNXBMFYSA-N 431.504 1.700 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1588074808 SMVYRCHLXHQYAL-NTLWEQJWSA-N 436.578 1.383 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1588128740 QVZSIMOAWPUGMM-HXUWFJFHSA-N 434.569 1.904 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1595537432 RCUFVKJCVHOQOI-UHFFFAOYSA-N 438.532 1.705 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCc1nccs1 1595561751 AQAZVHNMBRUZQM-UHFFFAOYSA-N 436.545 1.954 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)CCO1 1596632946 HHXVSUQTDIIPHR-IEBWSBKVSA-N 426.546 1.911 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc([C@H]4CCOC4)n[nH]3)C2)C1 1611592704 VGIBTUUZSQIWNP-DNMKQRRRSA-N 430.509 1.712 30 10 IDEE O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648964 PCERWDQORSBWMG-IAGOWNOFSA-N 427.457 1.456 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1613788691 UMUZANJZTJPMRW-GOSISDBHSA-N 433.534 1.297 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1617759844 DLFWYRXKLFPUMV-QZTJIDSGSA-N 442.520 1.901 30 10 IDEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@H]1O 1620537866 GRJOWRWLVAZQJJ-OXQOHEQNSA-N 446.548 1.412 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OC 1622450324 OYSBLTGVCAPUDG-KRWDZBQOSA-N 444.575 1.956 30 10 IDEE COc1ccc(C(=O)N(C)[C@@H](C#N)C2(SC)CC2)cc1S(=O)(=O)N1CCOCC1 1624875423 DURJNNATSVCDSJ-KRWDZBQOSA-N 439.559 1.576 30 10 IDEE COc1ccc(CNC(=O)/C=C/C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1633661907 AOJYAMRHHWUQPI-NKHMXISVSA-N 428.489 1.743 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCCNC3=O)cc2)s1 1633969236 KZDMPZVEAHUKNE-UHFFFAOYSA-N 448.570 1.991 30 10 IDEE C=C[C@H](COC)NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1634542301 CMSMKHWGQNLXLY-MRXNPFEDSA-N 425.530 1.187 30 10 IDEE N#C[C@@]12CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]1CS(=O)(=O)C2 1639175685 XQRGZMSKFRHDNL-NCHVAJSOSA-N 425.919 1.540 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)cc1 1641605030 FWCQRAKMWSPEJD-UHFFFAOYSA-N 426.498 1.216 30 10 IDEE C#CC1(O)CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 1641976831 WQRGZJVJEIBJKV-UHFFFAOYSA-N 432.546 1.226 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3OCC(=O)N[C@@H]3C2)n(-c2cccc(F)c2)c1C 1643329198 CZHBRAZBFLPEFK-RTBURBONSA-N 425.464 1.633 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 1643855899 XKUIPRWFPQWLGC-UHFFFAOYSA-N 426.454 1.776 30 10 IDEE COC(=O)[C@]1(N2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)CCOC1 1659497981 HIZZFSHVSGWFIY-QKKBWIMNSA-N 432.546 1.385 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 1676201195 LRIMHJFHOLOONX-UHFFFAOYSA-N 447.605 1.750 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1689966115 LBZIIJXIIXEGQD-IRXDYDNUSA-N 449.602 1.385 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 1689980267 OYCBXHRHGRNEKB-MRXNPFEDSA-N 430.530 1.979 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984396 OPTYJRDACLIHOL-OAHLLOKOSA-N 435.937 1.535 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1689986606 TWJIPIBBOBQXOG-GOSISDBHSA-N 426.477 1.549 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1689988352 NJVXLCPATOQCBO-LXPRWKDFSA-N 444.561 1.567 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1690009901 NTUFNHPWKFAWQR-QGZVFWFLSA-N 435.484 1.242 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1OC 1690025036 BIBRRMMLAQWFKJ-SJORKVTESA-N 427.530 1.394 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)C(=O)NCC2 1690031420 JPVIGKRICTWBLR-UHFFFAOYSA-N 446.555 1.994 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1690076952 FFVNJUAWNBRMDO-SFHVURJKSA-N 429.546 1.390 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCS1(=O)=O 1690105252 ZCVWIZZYHURHOH-KRWDZBQOSA-N 437.591 1.687 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1690108344 VIOZFTJGETYBAF-SRYPRDQNSA-N 448.564 1.816 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2CCOC[C@@H]2C1 1690219461 FOVIZUSJANJBCA-GJZGRUSLSA-N 430.347 1.432 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690311482 LTKNGHVIPSQIPH-MRXNPFEDSA-N 432.525 1.285 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1690604074 OCTBPGWADUFAQK-SFHVURJKSA-N 441.561 1.592 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1690642471 QPCGOMBHIPXSLO-LSDHHAIUSA-N 430.513 1.218 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1690669437 FQXNZAAFEXOCSG-UHFFFAOYSA-N 428.512 1.928 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 1690722341 GJSHXWLCEPATHS-UHFFFAOYSA-N 435.550 1.776 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1691001998 SWXPHLOPGUVECP-UONOGXRCSA-N 449.537 1.026 30 10 IDEE Cc1nnc(N2CCO[C@H](COc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693511129 GMGLBACRGBETCY-OQLSDQBISA-N 438.488 1.397 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)c2ccccc2)CCOC1 1696023407 GBGFDJVEIHIEOP-DYESRHJHSA-N 447.561 2.000 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1696890810 GDHLNEIUYKSSIG-NRFANRHFSA-N 428.468 1.930 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1705558784 ICTMAFFOTBMWLV-INIZCTEOSA-N 439.582 1.106 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705567159 VDZHKRCZNHQWHV-MSOLQXFVSA-N 445.545 1.081 30 10 IDEE C#CCN(c1nnc(CC)n1CCCN1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1705570528 OBNIFPRCAGVSLD-IBGZPJMESA-N 427.574 1.920 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1705583219 SNJZXRKFPRHSHN-JPYJTQIMSA-N 443.548 1.820 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C(C)C)CC1 1705648090 NMMLKDZFPYUYRC-SFHVURJKSA-N 430.553 1.258 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)C1)C(C)C 1705867489 OPBAZMQUAAAGLA-LJQANCHMSA-N 426.569 1.656 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1706746962 GMDQURPDEUJXBV-JKSUJKDBSA-N 427.534 1.968 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1706937882 XPLAHNCYDMGRLM-IGGDJGDASA-N 439.520 1.829 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cs1 1707744743 BYLBBXYPNPPRKY-UKRRQHHQSA-N 437.595 1.511 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(N(C)C)c2)CCOC1 1710482094 AJJREUYNXFGSOZ-DENIHFKCSA-N 426.521 1.773 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1710825182 HLIQBVCNJKGJBR-QFIPXVFZSA-N 437.504 1.668 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)CCO1 1712886636 ZHJCOHRBZUXZIA-AWEZNQCLSA-N 433.563 1.768 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1722277461 NNOIRJIGHZYKIY-SOUVJXGZSA-N 447.561 1.727 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)on2)c1 1722308724 DZMAHOAMBCBRQY-SFHVURJKSA-N 433.472 1.630 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N1CCN(CC)CC1 1722378353 NZBVJFZBOKHEKU-IBGZPJMESA-N 434.544 1.773 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCO2 1722421770 MRITVQUNWBVTMQ-QFIPXVFZSA-N 428.489 1.793 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)cc2OC)CC1 1722437522 NXWNGHAEZUSYMR-IBGZPJMESA-N 425.533 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@@H]2C[C@@H]2C)CC1 1722444347 XQJNKZLUEZYJQX-HNAYVOBHSA-N 441.557 1.895 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722461503 COPJNULZHQFAKL-KRWDZBQOSA-N 444.586 1.506 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCOC2)CC1 1722566467 RXWTXRMRFORMOD-IRXDYDNUSA-N 425.555 1.194 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722688294 AQSLOMSBMZCHLG-IRXDYDNUSA-N 437.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CCOC)CC1 1722701259 KXWJCGJQAXHJHO-UHFFFAOYSA-N 437.548 1.421 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722737203 WWQDWDVMPGWBCV-ZACQAIPSSA-N 426.539 1.115 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1723875763 CGOSWPRJTITCNE-ZWKOTPCHSA-N 437.548 1.452 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1740532892 MMPAWDRVWLSGQR-HZPDHXFCSA-N 427.534 1.580 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1740631052 OICONYRANUTORO-HNNXBMFYSA-N 435.937 1.694 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1740653546 PQMHWYURGVLZKT-IBGZPJMESA-N 434.500 1.131 30 10 IDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1740709478 OAWPLFBFFGVZLJ-INIZCTEOSA-N 425.566 1.922 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740737308 HJNRYOWKYKMLMY-NEPJUHHUSA-N 426.271 1.537 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1740774643 XCNOHVLKBGBROK-QFBILLFUSA-N 427.571 1.174 30 10 IDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1740796691 FZYSNVSMTFDLCG-INIZCTEOSA-N 430.484 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1 1740991814 FIGOGFNMAHGRBS-AWEZNQCLSA-N 448.636 1.113 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCSC1 1741371626 GJWGCLNHSVZXLF-YWZLYKJASA-N 428.566 1.646 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1743254104 HEEYTAPTTHMNNC-UZUQRXQVSA-N 438.532 1.973 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1745194593 RZHJJRNUMGAMJC-YNFBMLRVSA-N 432.569 1.730 30 10 IDEE CN(C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCSC1 1747580874 DKQNWJQFMCFUJA-LPHOPBHVSA-N 438.623 1.357 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(CCN(C)C)CC1 1748690197 OPIHAWBZWIIXBZ-JBACZVJFSA-N 432.613 1.734 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1748740152 MKUFRBHLFHQPJV-GOSISDBHSA-N 440.525 1.756 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1748830382 VHLKZGHNJKBQDR-URXFXBBRSA-N 443.592 1.748 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748839225 QEJFBAFQMOCLNW-LJQANCHMSA-N 427.516 1.914 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1748882433 RTMZPPURIZDNSU-QGZVFWFLSA-N 437.500 1.712 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1748956558 GXLKILYWJKISAV-UHFFFAOYSA-N 445.955 1.244 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCNC(=O)Cc2cccc(F)c2)CC1 1749000581 YAUUPJJQDKOKOV-UHFFFAOYSA-N 428.512 1.068 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CCSC2)CC1 1749010264 JYEMMIQIFDLULC-NRFANRHFSA-N 428.562 1.117 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1749368906 SZYMAIMMVLOAAZ-JKSUJKDBSA-N 427.571 1.438 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1)C1CC1 1749508230 LJQILMMTELFEJE-OAHLLOKOSA-N 426.587 1.154 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 1749650316 RUDODQRSQPEUNB-UHFFFAOYSA-N 429.500 1.184 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)NC(C)C 1750736296 UNWJFAKPKNSWCZ-UHFFFAOYSA-N 447.565 1.339 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1760184284 IMCDEPAHFITOSG-CQSZACIVSA-N 446.533 1.919 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1760192663 WNFNZKLLWXXZFE-MRXNPFEDSA-N 439.607 1.170 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCc1cnn(C)n1 1760240508 TVONGSMXCZQGGM-UHFFFAOYSA-N 438.511 1.957 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CSCCS2)CC1 1760261072 JSQBHHDCTJUWNO-SFHVURJKSA-N 431.635 1.744 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760280382 KCKZFKSMXVYGLQ-IAGOWNOFSA-N 446.577 1.653 30 10 IDEE C#CCSCCn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760286216 FSQHSVXMCYAXQI-OAQYLSRUSA-N 435.594 1.745 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@H](C)C1 1760520264 IHBASYNZCTTWMV-QGZVFWFLSA-N 428.537 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1760552862 DCTHRZADYGHYJE-OAQYLSRUSA-N 448.545 1.550 30 10 IDEE C=CCSCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568291 DWDLJPBKMCDLOC-VQIMIIECSA-N 444.623 1.861 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCCO)C1 1761543072 QECDENDQKCIJGU-OAQYLSRUSA-N 447.561 1.878 30 10 IDEE CCN1CCN(CCCCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1765567582 HPZHGRZJTUGXQI-NRFANRHFSA-N 438.580 1.410 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1766586170 BIZJLLXNEMIXDL-LPHOPBHVSA-N 425.537 1.498 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1767541074 RKIIHHQAKIBNGA-HNNXBMFYSA-N 439.520 1.866 30 10 IDEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)ccc1OCCO 1769853521 DGAHLBMEAJPMNQ-ZBFHGGJFSA-N 428.493 1.253 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC=C(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1769979330 VCILVMPBBLBTPL-IGGDJGDASA-N 430.509 1.685 30 10 IDEE CSC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1770396397 HTHAOZAWSAOVPS-DYVFJYSZSA-N 446.574 1.195 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1770783519 ZSXYOHCPTOUNMY-HOTGVXAUSA-N 436.875 1.575 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 1849507492 LAJHSFGGZIWACS-LJQANCHMSA-N 426.498 1.786 30 10 IDEE Cn1nncc1CN(C(=O)c1cccc(C#N)c1)C1CCN(c2nccn(C)c2=O)CC1 1853481649 UCYVKAXKXFQDFF-UHFFFAOYSA-N 432.488 1.092 30 10 IDEE Cc1ccc(C(=O)N2C[C@H](C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1C#N 1853938961 DHRPRPDSMLWOCQ-WOJBJXKFSA-N 429.542 1.755 30 10 IDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3=O)cc2)C1 1856069589 QXXAVKVUKVMKEB-CALCHBBNSA-N 432.546 1.551 30 10 IDEE COc1ccc(S(=O)(=O)C2CCN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)CC2)cc1 1856360487 JASWJIKFMUCAND-MRXNPFEDSA-N 433.530 1.612 30 10 IDEE Cc1ccc(C(=O)N2C[C@H](CN3CCN(S(=O)(=O)C(C)C)CC3)CC2=O)cc1C#N 1856791774 IJGPCSBDCKDJMF-KRWDZBQOSA-N 432.546 1.211 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861504693 JYJWFBFFADZACU-RXVVDRJESA-N 447.491 1.403 30 10 IDEE C=CCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863591697 LGZGVPSKGULAAC-UHFFFAOYSA-N 442.453 1.298 30 10 IDEE C=CCn1c(C(=O)NCc2cccc(C)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873593533 DECOKGSCYFOBQH-UHFFFAOYSA-N 434.544 1.970 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 2006229918 DHPLGAANCBSBST-OAHLLOKOSA-N 425.345 1.937 30 10 IDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060640495 VXFRTKJMEBPWRZ-CYBMUJFWSA-N 438.290 1.186 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2107462715 BJRUGUVIQRMNKC-DDFAGTSDSA-N 432.149 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247927026 AWHKTULYLJUSBX-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2255625910 YMFWYBTZXSZGOD-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)NC1CC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255632274 KZMITFNTQVTHKD-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2255799653 LVXYEWHIBKXPQF-UHFFFAOYSA-N 448.272 1.178 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267112554 IRMDEKUFBZJPFR-AWEZNQCLSA-N 449.361 1.491 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267113513 UZHIJNQUFUOLPH-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267729535 MMQHNQIETCSMPV-HOTGVXAUSA-N 448.325 1.713 30 10 IDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCCC1 2286042398 CMGFWWGWCMZSJC-RBUKOAKNSA-N 436.530 1.956 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21 2337206263 KYNHWQIRBGYBMN-ZNMIVQPWSA-N 446.357 1.847 30 10 IDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OC)ccc21 13791888 BVQMWGQDRKHFKY-BVGIJJTOSA-N 435.527 1.222 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 27559939 RHYAAEPNNSLLSF-UHFFFAOYSA-N 435.500 1.947 30 10 IDEE COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1S(=O)(=O)N1CCOCC1 29006520 HGECHDBVJXAVRK-HNNXBMFYSA-N 445.497 1.994 30 10 IDEE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NCc1nnc(CC)o1 59877706 RSOOTCILXLENRV-UHFFFAOYSA-N 439.505 1.611 30 10 IDEE COc1ccc(N2C[C@H](C(=O)NCC#Cc3ccc(N4CCNC4=O)cc3)CC2=O)cc1 96351099 FPYIXPFTEIMESM-GOSISDBHSA-N 432.480 1.746 30 10 IDEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1C 103112645 SJPHGTDQNBPASD-ORKPOYISSA-N 426.473 1.796 30 10 IDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 254750653 OJIJMSMYZDCBJK-ZFWWWQNUSA-N 442.515 1.560 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc1 431901275 GZKHUTADNKPFKS-MGPUTAFESA-N 437.518 1.537 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3c(O)cccc32)CC1 466090003 BNCNGHSLEJCMOX-GOSISDBHSA-N 426.498 1.967 30 10 IDEE CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)c2)CC1 472219896 JOUUKOKGDUWDHN-UHFFFAOYSA-N 443.511 1.895 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 478752064 CMNHBWJHXYWZAJ-CABCVRRESA-N 430.551 1.649 30 10 IDEE Cc1c(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cccc1[N+](=O)[O-] 480053083 CDBVAFJMFGJOCG-UHFFFAOYSA-N 443.485 1.991 30 10 IDEE COc1ccc(C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 481783044 SIVBTZYYPWSRIW-HUUCEWRRSA-N 431.514 1.990 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 505661203 KUROPIDQZVWTTR-UHFFFAOYSA-N 433.537 1.375 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 507729661 ATGDTMHLAQTFBQ-CVEARBPZSA-N 447.605 1.594 30 10 IDEE C=CCn1c(COCc2ccccc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508794724 LZTGAFZOMWSCCQ-UHFFFAOYSA-N 440.548 1.162 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508938552 KQIZDFLMCUKUTI-UHFFFAOYSA-N 439.564 1.934 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513785663 QUFFNJRPVYAFOJ-UHFFFAOYSA-N 448.570 1.062 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 537250164 YCJWNYUXZQDAFU-IFMALSPDSA-N 441.551 1.869 30 10 IDEE C(#CCN1CCC(CCN2CCOCC2)CC1)CN1CCC(CCN2CCOCC2)CC1 556497610 JRWDKFXHTYPVNN-UHFFFAOYSA-N 446.680 1.858 30 10 IDEE COc1cc(Br)ccc1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 586850577 RIJYBYZCNAMKHL-UHFFFAOYSA-N 449.309 1.342 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1 586862496 YPAIPTAIJKWVQZ-UHFFFAOYSA-N 428.851 1.952 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCCO1 603798763 NFKZKDCGFYCAKH-HNNXBMFYSA-N 431.945 1.770 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nnc3n2CCC3)CC1 610799267 HBXQOWNVWPURHF-CQSZACIVSA-N 428.518 1.169 30 10 IDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl 615307023 IFFHBPBZPFVPOZ-SFHVURJKSA-N 436.859 1.806 30 10 IDEE N#C[C@@H](NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br)C1CC1 731203154 KYYYJPUUBQEOGV-BLLLJJGKSA-N 442.335 1.938 30 10 IDEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664035 KGUICBAKHRHVHQ-ACASMUELSA-N 448.614 1.897 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1CN1CCOCC1 742760733 DLRJSZDKWVSMHB-GOSISDBHSA-N 448.589 1.609 30 10 IDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)CCc3c(C)nn(CCC#N)c3C)cn2)c1 748991138 SZQFSWXYGUSNBK-UHFFFAOYSA-N 441.517 1.740 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 749856720 KCDKNQTXPYXZBH-OAHLLOKOSA-N 434.521 1.466 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N(CCO)Cc1cc(Br)cs1 757652959 XHTDTSAUXRZRPA-NXVVXOECSA-N 428.308 1.748 30 10 IDEE CCC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)C1 761850098 PMTXZEPQKHUPJR-ROUUACIJSA-N 445.589 1.697 30 10 IDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 768761066 LZCUKJDCGIJKFB-HXUWFJFHSA-N 432.502 1.395 30 10 IDEE C#CCN(C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)[C@H]1CCS(=O)(=O)C1 774168733 ZHYOVOZXLRDLQX-NRFANRHFSA-N 432.590 1.156 30 10 IDEE Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccc(C5(C#N)CC5)cc4)CC3)ncnc21 777172917 XSOXLLGYAAXZPN-UHFFFAOYSA-N 445.483 1.424 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)n1 788854157 NMUWHDOWNGKJBT-UHFFFAOYSA-N 425.537 1.021 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)[nH]c(-c3ccncc3)nc2=O)n1 790105297 WMRGAIYXDNTVTD-UHFFFAOYSA-N 434.500 1.578 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(C)(F)F)C1=O 814708899 NNQJASJGNJLSJH-CQSZACIVSA-N 441.504 1.440 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 917768316 JRZVBLKMTDCYEM-MRXNPFEDSA-N 443.573 1.070 30 10 IDEE COc1cc(C=NNc2nnc(SCC(=O)NC(C)(C)C)n2N)cc(OC)c1OC 1084598536 YMOCGCPMPHUYRD-UHFFFAOYSA-N 437.526 1.471 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n1 1166298607 BDMGIHGEBNGNFU-UHFFFAOYSA-N 448.570 1.853 30 10 IDEE C#CC[C@H](CCOC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1184091193 QMUYYDCFXBRXKK-OAHLLOKOSA-N 443.485 1.628 30 10 IDEE C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1248552290 HRYYKHNRZRGWCO-HNNXBMFYSA-N 433.513 1.350 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1265833337 BPQIZANCOBRNEO-HNNXBMFYSA-N 436.534 1.830 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286325395 XWWHVDSHYJURQR-MSOLQXFVSA-N 425.537 1.983 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)N(C)C2CCCCC2)CC1 1286471430 KBKMRCSWPLLWAU-IBGZPJMESA-N 446.596 1.548 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286789549 UKPLZMQEJAFAEX-UHFFFAOYSA-N 443.515 1.159 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 1286795583 JWBGSFCOMDIXEC-LJQANCHMSA-N 438.532 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCNC(=O)C1 1286815236 PGUOJBQZAJYWJK-UHFFFAOYSA-N 449.602 1.813 30 10 IDEE COc1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1S(=O)(=O)N1CCCC1 1289683088 IGGPXXRAADBEEO-UHFFFAOYSA-N 431.474 1.330 30 10 IDEE CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)S(N)(=O)=O 1291722987 UKHTXTRYEGOTRG-ZKCWRFQVSA-N 444.579 1.675 30 10 IDEE Cn1cc(N2CC[C@@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)cn1 1293766110 FIOCCVIFFIXWLB-QNOZYLDQSA-N 428.537 1.902 30 10 IDEE CN(c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1298144045 ZGJWTZIHGXVDDL-UHHPSXQGSA-N 425.518 1.808 30 10 IDEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCO)c2ccccc2c1=O 1298902866 JAWHRNONSXQUPX-NRFANRHFSA-N 425.468 1.797 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1 1300555069 RXRNTMYADHOSTK-UHFFFAOYSA-N 435.532 1.499 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(C(N)=O)c2)CC1 1300682296 KBASJFZVWKJDCM-UHFFFAOYSA-N 437.548 1.099 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1300706491 OKUJSJQWRZZZEB-JOCHJYFZSA-N 449.603 1.767 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1300763049 MOPJCIDBVSYEKZ-MRXNPFEDSA-N 425.624 1.513 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1300980030 CCIHZNAHKFVUAV-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301084359 UTBPKURVTLPYEY-IRXDYDNUSA-N 428.468 1.524 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1301458588 CRAOLYIGIVCMPG-OAHLLOKOSA-N 433.534 1.666 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301514721 MEKBMCAKHMGAIP-RBUKOAKNSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1301586403 SDYPBUWCSPUSEW-QGZVFWFLSA-N 431.566 1.652 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1302055831 WWIFUXIIGHQRLQ-QRWLVFNGSA-N 430.513 1.285 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2c(sc(N)c2C#N)C1 1308131481 DPLXBPNXHBEVMH-NSHDSACASA-N 431.543 1.185 30 10 IDEE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1324631329 HCUYXVMLVVCXES-WMLDXEAASA-N 434.452 1.841 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 1349465252 UBQNYCNIAIIRPB-UHFFFAOYSA-N 444.517 1.229 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)cc1 1354942651 MDKHAKYGJBUQHD-TVJQZGFISA-N 445.538 1.745 30 10 IDEE C#CCCCCn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1358906034 SYOVPWMKRHQQCR-ZACQAIPSSA-N 437.566 1.517 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1358963460 ILCLEEDTTHNNNP-ROUUACIJSA-N 432.521 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1N1CCOCC1 1358968697 VIXCMEHERHKKHZ-UHFFFAOYSA-N 449.559 1.549 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCn1cncn1 1358976944 XYBBTXNQDDJROX-UHFFFAOYSA-N 441.499 1.600 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1359001922 HRZPJINAPIFLJQ-UHFFFAOYSA-N 445.593 1.778 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCN(CCC)C2)CC1 1359028621 YGVCIUCKKQEHGM-IBGZPJMESA-N 429.613 1.684 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2(O)CCCC2)n1 1359028645 ZDJPNQUGAYZYHW-SFHVURJKSA-N 428.537 1.570 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1359028976 LHNCFPATHDWOAE-UHFFFAOYSA-N 431.562 1.639 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359057463 ZQKNIMYCJJSTQO-MJGOQNOKSA-N 446.621 1.675 30 10 IDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359213269 PQAWPTIZAAQDSL-SFHVURJKSA-N 448.593 1.881 30 10 IDEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359252842 IGYOWNBQNANRDA-OAQYLSRUSA-N 443.529 1.433 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1359272001 IOAFOGHNPRQCLC-MRXNPFEDSA-N 430.534 1.898 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359297011 BGEUZLINLWNACA-LJQANCHMSA-N 437.504 1.567 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(C)C)C1 1359298656 IDBQVLIUOQMISJ-MRXNPFEDSA-N 435.532 1.977 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359303740 ZGNFCPGZEHANKG-UHFFFAOYSA-N 436.560 1.814 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccco2)C1 1359330781 CREDSJWMUCHFEG-QGZVFWFLSA-N 430.490 1.507 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359330961 ICSSVZARQBAZGY-ZWKOTPCHSA-N 430.578 1.922 30 10 IDEE CNC(=O)CNC(=O)c1cccc(NC(=O)COc2cccc(Br)c2C#N)c1 1436043247 FPJYNIMUOKGENF-UHFFFAOYSA-N 445.273 1.814 30 10 IDEE C#CC1(NC(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)CCCC1 1438852798 ZDDPLVGOUQJSRZ-UHFFFAOYSA-N 447.536 1.009 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1453843641 UZJLLLAPEJBCBL-UHFFFAOYSA-N 429.454 1.996 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 1470610693 FMMOIGSYSCHWAH-UHFFFAOYSA-N 444.513 1.889 30 10 IDEE CS(C)(=O)=NCC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1473811114 UKXKOWJANWPSDV-NRFANRHFSA-N 449.596 1.974 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC2=O)cc1 1478947593 DHRYGZJCSHXKQA-MRXNPFEDSA-N 437.504 1.246 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)S(=O)(=O)CC)cc1 1497971664 HZQGVEANWVAVCZ-LJQANCHMSA-N 446.577 1.908 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1503160468 WJMFRBLKSYVYPX-FTFAEBDGSA-N 430.509 1.171 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccn2)nnc1N1CCC(F)(F)C1 1505354825 QQXOLGDWGMFFOG-ISLYRVAYSA-N 429.431 1.636 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(C)cn2)c1 1507550090 FKERFIJAJMUKQL-IBGZPJMESA-N 446.515 1.491 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1507603002 KJJXRQFGGKXXDA-UHFFFAOYSA-N 427.328 1.141 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1507734431 NANMVHMQLGTCCF-XMMPIXPASA-N 432.528 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCn2ccnn2)CC1 1507737026 YBPDBVNMMVNIOG-UHFFFAOYSA-N 436.495 1.732 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507832096 MXYIAOXWYDLFGW-CVEARBPZSA-N 447.565 1.154 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1507852541 BBQWNBYWPDJOFM-HNNXBMFYSA-N 447.005 1.189 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(c2ccccc2)C1 1508073398 JRMSLNZUUGGOGS-INIZCTEOSA-N 444.561 1.484 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 1508097135 NASUWTHWGAQONY-AEFFLSMTSA-N 438.532 1.552 30 10 IDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1508163808 GADRZGZTZQLCPI-UHFFFAOYSA-N 436.607 1.848 30 10 IDEE COc1cccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1518416942 MHCPVTBWSORIDC-ROUUACIJSA-N 426.477 1.436 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCc2ocnc2C(=O)OC)c1 1518826684 MLBPJFFPHULCTB-UHFFFAOYSA-N 425.441 1.267 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1518957199 CHYZKIANANXUMQ-FHJLPGHOSA-N 438.532 1.567 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C1 1519577730 DBOWZMXHZIWFNJ-SFHVURJKSA-N 446.577 1.745 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 1538992295 OSMQYHFNOOHVNS-NSHDSACASA-N 431.298 1.746 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[C@H]2COCCO2)c1 1539040120 MXNOTKNHGZOIBA-IBGZPJMESA-N 447.499 1.597 30 10 IDEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)NC 1539153373 BREHEJVWCJZIHB-UHFFFAOYSA-N 426.546 1.971 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1539204082 YMVXNMAFRJURNP-SQNIBIBYSA-N 430.578 1.877 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539231652 UWNPZIPQBVYUCA-GUDVDZBRSA-N 449.577 1.015 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1cnnn1C 1539288455 GHKROVMADCAKLF-UHFFFAOYSA-N 440.305 1.869 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1539315603 PHLAGSWTSRPLAY-HSZRJFAPSA-N 429.484 1.535 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1539317406 CCXCXOCJVGMNMV-HXUWFJFHSA-N 432.528 1.637 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1539429904 DSLKVAGCDOEFBW-OFNKIYASSA-N 430.597 1.560 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(Cl)c2)CC1 1539459824 OXMCZALGRZZVTI-UHFFFAOYSA-N 442.951 1.888 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539514738 UOVVCKUIIYFBCC-QGZVFWFLSA-N 441.623 1.746 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1539538389 GWPCJDUPFLDQQO-DQLDELGASA-N 431.562 1.788 30 10 IDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539749965 FMFGQYNBBIBPDD-RTBURBONSA-N 443.504 1.335 30 10 IDEE C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1540856787 PYBTTYBDFNETFN-FVQBIDKESA-N 448.549 1.586 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnccn1 1540905354 VOJVELUSGGKPHQ-UHFFFAOYSA-N 433.563 1.661 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nnc(O)n3C2)cc1 1542161974 ZDIISLCABROTPL-BJTZIBPKSA-N 446.533 1.778 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1 1547702566 QMGBIFNDBHEVHK-DLBZAZTESA-N 442.568 1.628 30 10 IDEE CN(CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)CC(F)(F)F 1554298240 TYOXOTYXRCWAAQ-HZPDHXFCSA-N 427.475 1.800 30 10 IDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 1554328986 TXKBHRRJUUCNPI-KRWDZBQOSA-N 436.495 1.902 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1556585647 BBDWNEBBIKWXLF-INIZCTEOSA-N 446.529 1.445 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N(CCOC)C[C@@H](O)C(F)(F)F)ccc2c1=O 1559006022 SETKDTOEEYQHJS-CQSZACIVSA-N 431.436 1.883 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@H]2C(=O)NCC23CCOCC3)n(-c2cccc(F)c2)c1C 1560176354 WKJMADKSFXCATO-FQEVSTJZSA-N 439.491 1.928 30 10 IDEE C=CCn1cc(CNS(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)nn1 1561675702 SYAPWHGGGUAZRW-QHCPKHFHSA-N 434.341 1.718 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)CC1 1563560743 KXGGYJJJWJSVRE-IBGZPJMESA-N 447.605 1.213 30 10 IDEE C#C[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCOCC1 1563967826 STRIAWIMRPFYMQ-RBUKOAKNSA-N 428.537 1.010 30 10 IDEE N#C[C@]12CN(C(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)C[C@H]1CS(=O)(=O)C2 1585660733 VJOVUPMQCPXEPI-YVEFUNNKSA-N 440.312 1.644 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1587808455 RURQPNXFQATEMJ-IRXDYDNUSA-N 438.598 1.290 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SCC)c1 1588138225 ALQFLGGKJGIHGD-KRWDZBQOSA-N 429.571 1.808 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1588253579 AFJWTDKLKSFYRQ-UHFFFAOYSA-N 435.463 1.670 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1589529589 OEQGNLWSWITJOP-XFKSJGNHSA-N 430.553 1.563 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595501360 QYSGNAUMGNZKNL-FXAWDEMLSA-N 435.532 1.276 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)NC)CC1 1595537601 SWACJIKQYPDWQH-UHFFFAOYSA-N 449.515 1.865 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1595562362 WCJJOSJCVQEKKN-UHFFFAOYSA-N 446.437 1.802 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1595760922 UYAZUSRXVHAAGB-QGZVFWFLSA-N 438.598 1.082 30 10 IDEE C=CC[C@]1(C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1595979634 JJWAJMAUDARJJP-OAQYLSRUSA-N 432.525 1.668 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCNC(=O)Cc1cccc(F)c1 1608194324 HNNLAMXJQWIZNS-OAHLLOKOSA-N 429.500 1.653 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1611301862 BSXSUYNSEHZDOE-WMLDXEAASA-N 427.484 1.466 30 10 IDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)CC1 1611773251 GGUDQYOLUWTZBA-IBGZPJMESA-N 443.596 1.767 30 10 IDEE CCc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cs1 1613866835 BYBPTKQTLTZGGA-CHWSQXEVSA-N 425.584 1.888 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)CN1CCOCC1 1614028474 FQASHBXTMXTPGO-MSOLQXFVSA-N 439.568 1.186 30 10 IDEE C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629484932 FZGZIRCCJBNYDP-VFNWGFHPSA-N 433.530 1.759 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 1632449027 PEJIVSVPPORJKK-ZIAGYGMSSA-N 430.548 1.306 30 10 IDEE COc1cccc([C@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCN2)c1 1634879727 DPPRIORCCYBTIG-FOIQADDNSA-N 428.514 1.407 30 10 IDEE C=CCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OCC 1640863684 KVFSMYGPBSYIJL-CQSZACIVSA-N 425.438 1.810 30 10 IDEE CC[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 1641101685 XGHFKQWLOKDHAW-AWEZNQCLSA-N 438.550 1.925 30 10 IDEE N#Cc1cn(C2CN(c3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])C2)c(=O)nc1O 1642943880 YZMCDQPXDISCLV-UHFFFAOYSA-N 432.265 1.839 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1645239611 MMVCPUSGEQKWBK-SFHVURJKSA-N 431.518 1.330 30 10 IDEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1651055236 SPKMDRZCSHPZHH-HOTGVXAUSA-N 425.526 1.764 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(F)cc(F)cc2Br)CC1 1660808916 XRANNWDTWYAVMM-UHFFFAOYSA-N 437.266 1.344 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 1663144291 CXVOWUVHAUWPOG-GOSISDBHSA-N 440.566 1.694 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1C 1670882056 BPXRWUCMFSGIRC-AWEZNQCLSA-N 433.368 1.809 30 10 IDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CCOCC1 1682417133 WPDRLVNLQPDOFD-CQSZACIVSA-N 434.345 1.999 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690288245 OLYXSHSXLKIZCK-BBWFWOEESA-N 425.555 1.192 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1690615843 URIFLMKWXJBQRN-KRWDZBQOSA-N 446.462 1.984 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1690663310 RZZCSTYZXSOKKM-UHFFFAOYSA-N 436.520 1.316 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCCC2)C1 1690729155 HPJMBVMHNLTOFS-UHFFFAOYSA-N 448.593 1.890 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)C1 1698483698 IHTBMTNPTPRVSG-BXKDBHETSA-N 442.261 1.610 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1705598209 DQWAFRIVEBCFJG-MSOLQXFVSA-N 426.546 1.417 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705617078 MAYCYLRLSNMTCX-IBGZPJMESA-N 445.589 1.813 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1705632020 FSJLSXUTGQGJFP-UHFFFAOYSA-N 445.568 1.038 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)OC)CC1 1705634034 GYIOHBZCFVGETQ-INIZCTEOSA-N 429.521 1.761 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705705375 HANDHLLSFLZGHA-GGPKGHCWSA-N 431.562 1.868 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705789916 CBFPNRHRWIVYMB-MRXNPFEDSA-N 438.532 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H]1C 1705933543 KQXFTZOQOVFQHZ-JKSUJKDBSA-N 442.549 1.756 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705936283 NLEVDPYSHHLGIZ-DLBZAZTESA-N 439.582 1.616 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1710564729 CVTDUMUKYXGFFR-FCHUYYIVSA-N 444.511 1.764 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1711317680 OYUCQIFQCQENNF-WMZHIEFXSA-N 438.532 1.975 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712589716 XNXWEMPPJVXICB-DOTOQJQBSA-N 449.533 1.325 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1722323202 BSOHAUPUQPGQKQ-VJANTYMQSA-N 434.610 1.612 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1722359047 PHRHWGMXVCZAGE-KRWDZBQOSA-N 447.586 1.559 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC1 1722437735 PRKOUDQLVGGSGN-QGZVFWFLSA-N 441.548 1.761 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722464809 SCFKPVKWXFRHPK-KXBFYZLASA-N 444.561 1.025 30 10 IDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1722483085 HJOOQUIYTLAJPP-UHFFFAOYSA-N 434.342 1.507 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)NC)CC1 1722492957 VIZZRWGBNQCAPY-QRQLOZEOSA-N 435.569 1.946 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722527196 BONYNSZJDGXYRY-IBGZPJMESA-N 444.580 1.849 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCS(C)(=O)=O 1722637900 LPTXWJRTCOSBNL-UHFFFAOYSA-N 426.568 1.295 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722689972 CCWOSCJAWOUFGC-HOTGVXAUSA-N 428.541 1.491 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722693303 JOABQHCISCYSID-QFIPXVFZSA-N 443.504 1.260 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(CO)CC1 1722731543 NDEAYOMIWSQAKL-UHFFFAOYSA-N 434.562 1.975 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CC(F)(F)CO1 1723925727 MORIRXKUMRYSBC-OCCSQVGLSA-N 432.497 1.443 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C#N)o2)c1 1730994112 AYQIMTLQPPCXLT-KRWDZBQOSA-N 438.469 1.590 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740619812 LLGSUWRBSZPWNG-DLBZAZTESA-N 447.948 1.965 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740628969 XREFPFSSHMMKLO-MOPGFXCFSA-N 437.610 1.706 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1740738709 KJDZPSFMTLZKRZ-LBPRGKRZSA-N 434.360 1.414 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740794870 JHMBIYNOFYYTEI-IAGOWNOFSA-N 427.571 1.140 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1740915838 UUVVVJBOANEYRC-HSZRJFAPSA-N 442.564 1.684 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1 1740963411 JXJJHMBMMNLVSS-HXUWFJFHSA-N 427.534 1.702 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)nc2OC)C1 1740971509 XVKZGGYYFIGABC-KRWDZBQOSA-N 442.520 1.756 30 10 IDEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1741259612 OMXVYMOKNBXOLH-VBKZILBWSA-N 438.504 1.799 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1741517634 JIFGTBHJAUOSTK-GOSISDBHSA-N 438.598 1.974 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1CN1CC[C@@H](O)C1 1741634663 FMRCXHNAPOJUIV-YLJYHZDGSA-N 439.564 1.770 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1743354678 DUTQBVRHOIMBNT-DOTOQJQBSA-N 430.534 1.323 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(C)=O 1746889454 UABJDUQMZYAIBG-KRWDZBQOSA-N 428.493 1.511 30 10 IDEE Cn1cnnc1Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1 1748043963 GNJVQYSNYKTZAY-SNVBAGLBSA-N 435.311 1.675 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748638523 QMUVNUAGIDVXOP-FUHWJXTLSA-N 428.537 1.849 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)[C@H](C)CC 1748672350 SIRLOFPILLADHL-TWMKSMIVSA-N 427.571 1.130 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(S(=O)(=O)NC)c1 1748934851 HCSMOVBIVQCGQU-UHFFFAOYSA-N 441.561 1.556 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1748968679 IESQCEDQOPCGHJ-IBGZPJMESA-N 446.573 1.995 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749049631 MLRJQRVSFQYING-FAJBIJEISA-N 433.578 1.616 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCS2(=O)=O)CC1 1749323317 DKTVGJSDYLYEPJ-UHFFFAOYSA-N 438.598 1.634 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 1749401609 AOFTXMVZDRTERN-SQNIBIBYSA-N 441.598 1.971 30 10 IDEE C=CCn1c(COCC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1749642664 ZTHDZLAKIXISOU-QLFBSQMISA-N 441.554 1.127 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749659511 FYUCFLNEYHFZQJ-QGZVFWFLSA-N 426.521 1.608 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749686922 HEBUTGFTSOVBKC-KRWDZBQOSA-N 438.532 1.794 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCS2)C1 1749697393 JUBLANXFLYNIBC-DAYGRLMNSA-N 429.612 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1749736853 QNCBDYLMFHZPTD-UHFFFAOYSA-N 434.566 1.216 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccn2C(F)F)CCOC1 1751025861 JMAZSWFWAQCCJX-AUUYWEPGSA-N 437.451 1.687 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1760115638 BBSIRBLAEZAANE-NVXWUHKLSA-N 433.603 1.758 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OCC)CC1 1760149106 XCHKMSXQVFQKNY-UHFFFAOYSA-N 435.492 1.613 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1760207369 GRLOPLSSZCJTSR-UHFFFAOYSA-N 432.528 1.648 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1760324784 MYFWJRNAUXYGJC-PXNSSMCTSA-N 446.552 1.660 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1760344994 YUFUVEREQQRNDM-UHFFFAOYSA-N 446.562 1.587 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1760365007 JLAVDMLIIRJREX-UHFFFAOYSA-N 430.896 1.901 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760431432 PXQBRUAUQOQVKF-QGZVFWFLSA-N 440.552 1.878 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1)C1CC1 1760476668 CCQDLSSEEMNUMO-HNNXBMFYSA-N 428.580 1.160 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1760554350 ASDAHRBNNDVTMH-IBGZPJMESA-N 449.552 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760557364 JAXYJUTYPHCAKM-HDICACEKSA-N 434.518 1.328 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760563963 JZZVQIBGPOOYMV-UHFFFAOYSA-N 437.595 1.515 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)C1 1760793831 PSBSDVMXHHZSJK-MDOVXXIYSA-N 445.503 1.782 30 10 IDEE C=CCN([C@H]1CCN(C(=O)c2cc(-c3cccs3)n(C)n2)C1=O)[C@@H]1CCN(C)C1=O 1854192566 AOXMLZJIGGBSES-CVEARBPZSA-N 427.530 1.608 30 10 IDEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862607237 JOCKKYMGXPQXCK-LJQANCHMSA-N 427.409 1.830 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866590379 YXFBULJJIYRXKS-FXAWDEMLSA-N 441.509 1.755 30 10 IDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 1866627901 XAEOQGLIRFWWPP-LJQANCHMSA-N 442.497 1.218 30 10 IDEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870331570 IERXDAKVXJWRCP-UHFFFAOYSA-N 427.505 1.479 30 10 IDEE CCOCCCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872649978 WLBREQUXOVGVAW-UHFFFAOYSA-N 433.490 1.594 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2CCCCC2)nc1C 1872678785 LSXKTIMRQKZNSF-UHFFFAOYSA-N 435.462 1.821 30 10 IDEE N#Cc1ccc(CN2CCC(NC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 1873724822 ZKCAIOZFMSKYCA-UHFFFAOYSA-N 447.451 1.843 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@@H]1c1ccc(C#N)cc1 1889325791 COCVIEJEUNITFX-CZAAIQMYSA-N 426.542 1.831 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 1889438849 KIEIRXGKRVZVOP-XMMPIXPASA-N 441.572 1.863 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N3CC(COc4cccnc4C#N)C3)CC2=O)cc1OC 1891376449 WNFZARHHHKPBNJ-INIZCTEOSA-N 436.468 1.861 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CC(Oc4cccnc4C#N)C3)cc2)CC1 1891871854 PGTBIXDCMZPWCR-UHFFFAOYSA-N 433.468 1.161 30 10 IDEE CN1C[C@@H](C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2060634126 VXQMDNQVCVOBIX-NRXISQOPSA-N 437.346 1.805 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634783 DMLKKFDSRUBNNU-ZIAGYGMSSA-N 434.302 1.397 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2085300817 WMGPAPAUWYNKNU-IHRRRGAJSA-N 437.346 1.696 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1ccc(C#CCO)s1 2089697738 CILTWNIAAKSFID-UHFFFAOYSA-N 432.523 1.588 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248403699 FUEYBJADMDYXID-WFASDCNBSA-N 440.371 1.938 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256928613 URZZOMLGJMGWGW-SFHVURJKSA-N 426.278 1.781 30 10 IDEE Cc1cnc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2267115399 INIJEAVNDSWQPR-QWHCGFSZSA-N 439.243 1.677 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2267187550 ZQBUNPYBWROHAM-GOEBONIOSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2COC[C@@H]12 2267518984 HFHGSBONUROBIE-NWANDNLSSA-N 448.329 1.073 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267603714 AYSUUHARIMFLBM-UONOGXRCSA-N 449.361 1.347 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2272632322 FNZOSEWPYCLMAG-RCDICMHDSA-N 444.341 1.763 30 10 IDEE C=C(CN(C)C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2299063057 IXFXMFQQELIFIF-AWEZNQCLSA-N 446.375 1.570 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2312855782 PHCUDGUODPYYKL-CFVMTHIKSA-N 432.330 1.837 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2334263184 QFQVIJGAXGXAIE-FVQBIDKESA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N 2339446115 JITFMRCLLIPNRD-UHFFFAOYSA-N 447.341 1.517 30 10 IDEE CS(=O)(=O)C1(C#C[C@H](N)C2(O)CCC(NC(=O)OCc3ccccc3)CC2)CCC1 2367817478 KRCZDXJLNDDENS-LVIWNVNYSA-N 434.558 1.885 30 10 IDEE CCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCC(C(N)=O)(N2CCCCC2)CC1 14161184 DKAOBYMAKBBHDJ-UHFFFAOYSA-N 446.625 1.562 30 10 IDEE COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(Br)c1 409589462 RELVLXBQSXQPJE-UONOGXRCSA-N 432.296 1.112 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc(N3CCC3=O)c2)CC1 448051298 ZGNICYGZVOQRSW-UHFFFAOYSA-N 439.497 1.833 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 460808729 JUBFTVOZCKSTGR-SFHVURJKSA-N 433.534 1.455 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2COCCO2)n1C[C@H]1CCOC1 461589105 PSCPBYFDZBIEOI-UXHICEINSA-N 427.505 1.927 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cn1 462073076 CHMWDYNNLCRNKC-UHFFFAOYSA-N 430.472 1.609 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 465421980 MLJXQYLMWSZDPW-CYBMUJFWSA-N 448.405 1.965 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(I)c2C)CC1 471474633 CRGNAZRECULRDN-UHFFFAOYSA-N 427.286 1.660 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1S(=O)(=O)NCC#N 472998308 HXRXEHITURKJIL-SFHVURJKSA-N 432.546 1.708 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 480515543 PDLRQVPYDUFNBV-HNNXBMFYSA-N 437.481 1.469 30 10 IDEE N#CCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 503631150 UHQXCFXPJZDNMJ-UHFFFAOYSA-N 444.557 1.160 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 514493594 JASXIPIJPKFSIK-IBGZPJMESA-N 438.509 1.192 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 532755368 JWQOZGRAWAUXNQ-GOSISDBHSA-N 445.589 1.353 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccc(C(C)C)cc1 537395362 UJJSULRJHNNMLG-UHFFFAOYSA-N 448.548 1.984 30 10 IDEE Cn1ccnc1CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 553093850 OZXDSQLDZLGAHO-SFHVURJKSA-N 427.578 1.008 30 10 IDEE CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555351325 FUQFJYUWZHZQFP-UHFFFAOYSA-N 437.548 1.454 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H]1n1cccn1 590534792 IOEIYZKNPBNOOI-PNYFIKQUSA-N 436.472 1.495 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(Br)c1 610483490 FKECLPHPJLFXDS-UHFFFAOYSA-N 440.322 1.911 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C)c1C 729668273 FGLWLVIEVXTYRU-UHFFFAOYSA-N 429.505 1.413 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(CC)cc1 730137664 GTDLFVUVRAGSQB-YJBOKZPZSA-N 447.605 1.773 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)c(Cl)c1 730144252 YZNCWKFQIOCARA-CQSZACIVSA-N 443.932 1.225 30 10 IDEE CCc1ccccc1-n1cnnc1SCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 731886635 AGBTXALCZHRMQA-VHEBQXMUSA-N 426.502 1.564 30 10 IDEE C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732152808 BAZFPZCQLWDWOM-DSGGYQJVSA-N 446.529 1.506 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 742295653 LOHVZONEZZTHNF-VQTJNVASSA-N 432.546 1.790 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1 747903665 XRTFQOBYRNTONG-GDNBJRDFSA-N 439.493 1.860 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C[C@@H]1CCOC1 749858463 YKWSZOSZYDBCSI-LBPRGKRZSA-N 434.290 1.875 30 10 IDEE CC(C)(C)OC(=O)N1CCN2C(=O)N(CN3CCN(c4ncccc4C#N)CC3)C[C@H]2C1 751593943 SGEAJIWGPRRNNE-GOSISDBHSA-N 441.536 1.390 30 10 IDEE O=C(NCC#CC(=O)N1CCC(O)(C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21 757486789 QZSZQQBMNDQHJQ-UHFFFAOYSA-N 448.475 1.967 30 10 IDEE N#Cc1nccn1CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 770635253 AREFOMTZPXNWMX-OVCLIPMQSA-N 441.494 1.501 30 10 IDEE C#CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)[C@@H]1CCS(=O)(=O)C1 774044013 PELPZGZITYHNAW-MRXNPFEDSA-N 439.559 1.398 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 780203323 BISSBPGWXBXQGJ-ICSRJNTNSA-N 444.440 1.618 30 10 IDEE Cn1ncc(Br)c1/C=C/C(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 782307777 ZXAYVTBAXHZLRH-VOTSOKGWSA-N 428.264 1.442 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CCC2CS(=O)(=O)C2)C1=O 786681897 DJRLNTNDBCSFGC-HNNXBMFYSA-N 425.532 1.198 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)n1 788560722 ZIRUBKYIRIBRHC-UHFFFAOYSA-N 438.532 1.584 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)n1 788695288 IHMAVXGVUAZWBE-UHFFFAOYSA-N 445.950 1.411 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2ccc(Cl)s2)n1 790104478 CEFYZDMBIZFPAK-UHFFFAOYSA-N 430.939 1.185 30 10 IDEE C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(N2CCCC2=O)cc1 803602860 YWKFAVODYZFTID-QGZVFWFLSA-N 446.511 1.606 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCC[C@H](C(F)(F)F)N3)CC2)o1 808604887 MIEXRGWKZLXWKD-TZMCWYRMSA-N 429.399 1.120 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccc(F)cc1 844257029 LVCYAGZMMRVVDE-UHFFFAOYSA-N 432.415 1.785 30 10 IDEE COC(=O)c1cccc2c1CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1141806668 PWMLYTHPLILNTM-UHFFFAOYSA-N 427.482 1.864 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCO[C@@](C)(C#N)C1)C(=O)OC(C)(C)C 1157516173 RDPBEZHZABTQAK-FQEVSTJZSA-N 426.514 1.889 30 10 IDEE O=C(N[C@H](CO)C(=O)N[C@H]1CCCN(O)C1=O)OCC1c2ccccc2-c2ccccc21 1159641054 AYUBYSUHKFJWRY-VQTJNVASSA-N 439.468 1.382 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCS(=O)(=O)C[C@H]3CCO)c2C#N)C1 1176333421 DOWYYAFMFSBFQH-UONOGXRCSA-N 425.576 1.555 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)c1C#N 1251909885 BMXDZCCOTHSGQC-GOSISDBHSA-N 425.468 1.376 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCS(=O)(=O)c1ccccc1 1286363726 XSOHULAZZZRKRV-NRFANRHFSA-N 432.546 1.864 30 10 IDEE C#CCN(c1nnc(CC)n1CCN1c2ccccc2C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286392862 HRHQLRWMKDPQSG-MJGOQNOKSA-N 427.574 1.918 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC)C1 1286463815 ULHLHKSQWXZRNU-GOSISDBHSA-N 435.536 1.349 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286523297 YBFAHIJMELMRKY-QMTMVMCOSA-N 440.470 1.484 30 10 IDEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286684000 CATACSUEJWPZAU-UHFFFAOYSA-N 441.536 1.137 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1)C1CC1 1286732048 ZOQNMMJUZXHBHO-NRFANRHFSA-N 434.610 1.779 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1286735005 KNXZFDSUTXLWBS-OAQYLSRUSA-N 429.546 1.982 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1286906096 DKCICBHQLJGPSR-RTBURBONSA-N 435.532 1.836 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1286958584 AGLFGSQJZJHVGC-BRWVUGGUSA-N 425.603 1.749 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NCCOC)c3)cc2C1=O 1287451992 CXXQTRPYMSMQFT-UHFFFAOYSA-N 443.481 1.646 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1293869023 JGHLXSFSIQWCBN-NZSAHSFTSA-N 429.569 1.859 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)s1 1294915791 LVQWHWBAQNQUGC-CABCVRRESA-N 432.589 1.323 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H]3CNC(=O)c3cnn(C)c3)n[nH]2)c1C 1297868505 HQMIJDQIXPJKHQ-KRWDZBQOSA-N 436.520 1.844 30 10 IDEE CN(c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1298144042 ZGJWTZIHGXVDDL-DXQAYGFFSA-N 425.518 1.808 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300488653 UHWOZSMQBPMGIF-BHIYHBOVSA-N 429.546 1.518 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCC2)CC1 1300685972 VTDAQJUUEYSZBD-QHCPKHFHSA-N 430.597 1.560 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2N2CCOCC2)CC1 1300700732 VEKMAQRSRKMIGM-UHFFFAOYSA-N 437.592 1.902 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(S(C)(=O)=O)CC1 1300732450 NKOFIIWWDHIXTF-UHFFFAOYSA-N 441.623 1.576 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301510448 XYZMMUJOZXQGKQ-DLBZAZTESA-N 427.461 1.316 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301514297 ITSSHNCYJJIOTQ-MRXNPFEDSA-N 443.504 1.557 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1 1306242461 BXCYUYFEGNDIDZ-LJQANCHMSA-N 444.499 1.933 30 10 IDEE CCCN1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1=O 1307062463 RVFXKPDCHFGMIG-UHFFFAOYSA-N 448.487 1.887 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1314510682 SNCJUAFTFQAKCN-MRXNPFEDSA-N 432.506 1.146 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1315744776 CLFLYLUSTGDTMX-PZJWPPBQSA-N 441.532 1.989 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cccc(OCC#N)c2)CC1 1318464185 HFXMOSLNGLBPNO-UHFFFAOYSA-N 431.518 1.646 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1350510286 PKPWJCKGIMUSKM-UHFFFAOYSA-N 442.497 1.206 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCOC1 1355820870 HEFAWKMLWVHPMB-JOCHJYFZSA-N 429.521 1.923 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1358939677 BTFQMWPVTSTPPP-OFNKIYASSA-N 432.613 1.662 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(OC)cc2)CC1 1359031016 NOMVHWJADHDQPL-XMMPIXPASA-N 439.560 1.937 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCOCC1 1359063426 SEKRUSIMEQWFCS-OAQYLSRUSA-N 437.504 1.200 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](COCCOC)C1 1359076069 PURTZABWEVFGQT-CQSZACIVSA-N 430.347 1.814 30 10 IDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359207429 KMTIPEZVHRBLQI-IRXDYDNUSA-N 446.552 1.879 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 1359227695 IUTYHVPNIDQZIL-KSZLIROESA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1359297978 ITQKGUIFLRLXSF-HXUWFJFHSA-N 434.548 1.692 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)OC)C1 1359300417 BDEWRGWPLBPOEA-YJBOKZPZSA-N 441.488 1.482 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1359326239 VWGXCMDTYLHDMH-UXHICEINSA-N 425.489 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359330590 XAZSQNYARVKOMU-UHFFFAOYSA-N 446.577 1.713 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c1 1440708170 NAPLAVWSENIBHA-RFUYNDQBSA-N 437.543 1.698 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1 1452073730 DDXKJYKYALNSKM-FQEVSTJZSA-N 438.509 1.069 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccsc3C#N)CC2)c1 1453388641 HJMVYRALUXFPJT-UHFFFAOYSA-N 432.527 1.449 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@H]2CCCO2)CC1 1460858194 GLNVVXYJJRFNAP-YPAWHYETSA-N 430.524 1.804 30 10 IDEE Cn1ccn2c(CCNC(=O)c3cccc(COc4cccc(C#N)c4)c3)nnc2c1=O 1462805422 VFXPPTHHJGRTJY-UHFFFAOYSA-N 428.452 1.851 30 10 IDEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)Nc3cnc(OC)c(C#N)c3)CC2)c1 1467268743 BAWURAGZUCSPDS-UHFFFAOYSA-N 425.445 1.969 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 1469636675 GIGKCKULOLRFKH-RBUKOAKNSA-N 427.482 1.252 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2=O)cc1 1471272244 UQZNSZGQMSVWKH-SFHVURJKSA-N 431.452 1.279 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CSC1 1473631506 VMDBWXHZWZCRDQ-UHFFFAOYSA-N 443.594 1.723 30 10 IDEE CN1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1503686379 POSXNVDVGFHFPU-GOSISDBHSA-N 429.594 1.685 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H]1CCOC1 1504975996 SYNVKEPNOKRFQW-JKSUJKDBSA-N 442.520 1.964 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCCC1 1504993490 GKNLFKVEHFXHOU-ICSRJNTNSA-N 431.585 1.665 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507630961 KEYLUVUYNQAFCK-HKUYNNGSSA-N 445.593 1.037 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCCC1=O 1507709965 HCQCKVVPTGVOKV-UHFFFAOYSA-N 447.543 1.935 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507733264 RLUUQXVZTUWEHI-GOSISDBHSA-N 432.569 1.969 30 10 IDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(=O)NCC1CC1 1509604641 CLPBIOJDXOBFRL-UHFFFAOYSA-N 435.532 1.983 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)CC1 1510288238 GDNYWUPQNZIOEW-INIZCTEOSA-N 425.493 1.861 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)/C=C/c1ccc(I)o1 1523980176 LZWSWTTZBBCFEK-DUXPYHPUSA-N 439.213 1.967 30 10 IDEE CCS(=O)(=O)N1CCC(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1538140794 XKLIFNDMPVHIGC-INIZCTEOSA-N 430.571 1.751 30 10 IDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539086212 ZCHOLTGHHGZIJY-QGZVFWFLSA-N 429.525 1.785 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C(=O)OC(C)(C)C 1539203679 WAOSISKJIPVEIX-JOCHJYFZSA-N 428.489 1.831 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539220969 MSMYTCSXKCCIPV-IRXDYDNUSA-N 437.566 1.061 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1539230246 FJSCUDQYJAINRX-HNNXBMFYSA-N 438.500 1.962 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)cc1 1539285044 ZQXMXUZRMRRBNZ-GMAHTHKFSA-N 449.555 1.960 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2cncn2)nc1 1539376853 AUZYKGZQLQPMMB-UHFFFAOYSA-N 447.528 1.753 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539674250 OUASQUVXNQAOAZ-NRFANRHFSA-N 444.561 1.469 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539981916 KIUGLPFQZWVJLK-MRXNPFEDSA-N 441.602 1.438 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1540875626 RWRGEAKZYXBGEK-OAHLLOKOSA-N 444.561 1.583 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1541470023 ASTNDTJSKPIBFA-HTAPYJJXSA-N 425.537 1.610 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541513031 FLSCYBQHKBXOFQ-QGZVFWFLSA-N 448.597 1.726 30 10 IDEE C[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1544132601 MKEXVXUYMFOZBQ-MAUKXSAKSA-N 448.549 1.750 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1545877549 FRQFMQDYTVPZQJ-NRFANRHFSA-N 449.575 1.874 30 10 IDEE CCS(=O)(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1548334220 DSNWWFIICKWLPK-KRWDZBQOSA-N 437.614 1.373 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1554283528 JHTMXDLZWLLDSI-UHFFFAOYSA-N 446.577 1.992 30 10 IDEE COCc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)ccc1F 1555306105 AXBRVPBJULPAPL-ZIAGYGMSSA-N 438.529 1.960 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1555816460 MIXZKXYVKKATBR-QGZVFWFLSA-N 426.905 1.980 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 1559266157 QVWJFAXGETUJEP-UHFFFAOYSA-N 428.470 1.415 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CC1 1560008519 OKPCEAKKJIIFTF-GOSISDBHSA-N 428.499 1.277 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCCC1 1564667663 DVGVTMPWDGUMJB-TWOQFEAHSA-N 440.566 1.650 30 10 IDEE N#Cc1ccc(OC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c(I)c1 1586273964 GODZNMUWJCWKGH-VIFPVBQESA-N 439.169 1.082 30 10 IDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1587635163 BUWILJLYPZXMBG-GFCCVEGCSA-N 426.470 1.367 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1588223762 FXJGAKURXOROEI-MJGOQNOKSA-N 436.491 1.175 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](OC)C(C)C)CC1 1588806194 JAXXFTJEWOBSSV-FQEVSTJZSA-N 449.559 1.618 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1595593356 BNMMTBKYIFAGFD-KRWDZBQOSA-N 428.537 1.698 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595812423 SNERTUFBZTUVGB-UWJYYQICSA-N 447.561 1.249 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1596799448 PDBTZMHFHDKFCG-VBKZILBWSA-N 430.534 1.423 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1597333041 XYPGTJQJYNNBLS-UHFFFAOYSA-N 429.445 1.281 30 10 IDEE N#Cc1cccc([C@H]2CN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CCO2)c1 1598447766 BOHJUWFQYVDHBI-RTBURBONSA-N 449.916 1.451 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2)C[C@@H](C)O1 1611531903 IXMMQHVKZBKMCJ-CALCHBBNSA-N 448.541 1.962 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)c1 1612247915 FMFZVCBFRHDWIH-IBGZPJMESA-N 436.472 1.804 30 10 IDEE COC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1/C=N/NS(=O)(=O)c1ccc(C)cc1 1616049190 VMGONWVGNSCOET-YBFXNURJSA-N 444.429 1.583 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)CC1 1617909810 DFJHADQIOOJOEU-AQNXPRMDSA-N 434.537 1.186 30 10 IDEE O=C(Cn1ncn2nccc2c1=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132831 ZJVYOMYPBZQKEC-OCAPTIKFSA-N 445.270 1.520 30 10 IDEE COCCCN(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1619836701 LMPGTRHROMPEKC-FXAWDEMLSA-N 442.520 1.488 30 10 IDEE COCCOC1(Cn2c(C(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1620035005 PUWWHXMSVAELHT-LJQANCHMSA-N 432.569 1.790 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC([C@@H](F)C(N)=O)CC1)CCCC2 1620501342 BTAQZFUUIUFGFL-IIBYNOLFSA-N 445.539 1.891 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1623692277 AZTHORMRVQXYAD-GDBMZVCRSA-N 443.935 1.376 30 10 IDEE O=C(CCCc1ccccc1)NCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1627000342 KAJXJYKYEVPRDJ-UHFFFAOYSA-N 442.541 1.371 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nc(CNC(=O)OC(C)(C)C)sc2C)CC1 1627014886 FAGUADHTFFBVFM-UHFFFAOYSA-N 449.577 1.374 30 10 IDEE CCOC(=O)C(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OCC 1629525137 RGFMIGULIKVIDH-YZGUTLMUSA-N 437.493 1.384 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCCCCS(N)(=O)=O)c1 1630351647 XMUZTNGEKYOULP-CAPFRKAQSA-N 430.552 1.287 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1632082599 CPFHBTRKEJXXQM-QVKFZJNVSA-N 426.510 1.225 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1632624033 MDZPOGMNOFTUHZ-UHFFFAOYSA-N 446.592 1.697 30 10 IDEE Cc1[nH]nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1I 1635213747 KWZAYNSOUXSWQH-JTQLQIEISA-N 445.261 1.908 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)CC1 1636475592 OQDURBCEXUDOAJ-QGZVFWFLSA-N 428.514 1.447 30 10 IDEE C#CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1638016733 DCOKCUGJDOOPIR-ZDUSSCGKSA-N 430.280 1.689 30 10 IDEE C#C[C@@H](CO)NC(=O)c1cc(I)cc(I)c1 1641574452 MLAXFEIUVKDONC-JTQLQIEISA-N 441.006 1.620 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NOc2cccc(C#N)c2)CC1 1642625776 YAJKYRATBJKYJY-UHFFFAOYSA-N 443.481 1.856 30 10 IDEE CCOC(=O)[C@]1(C)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1643018467 LLEGYAYNVWDSTR-ZRQRYBTBSA-N 435.521 1.954 30 10 IDEE CC(=O)Nc1ccc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C(F)(F)F)c1 1654889336 WTQIKZVDCHUUBI-SJCJKPOMSA-N 444.435 1.472 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCOCC2)cc1Br 1669626748 HDHLIQMBPJXOIK-UHFFFAOYSA-N 444.351 1.480 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1685845558 FMJFYVYJUNMGSH-UHFFFAOYSA-N 431.555 1.399 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1689853180 PYHZOGHNQREJJV-QFBILLFUSA-N 447.561 1.320 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689983470 CDDUESVZAZKWTP-LJQANCHMSA-N 442.541 1.927 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)F 1690052468 JEBZWHROWZTDFN-UHFFFAOYSA-N 434.472 1.114 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2[nH]ccc2c1 1690103890 ISQYLAVQHKFRNA-LJQANCHMSA-N 441.557 1.990 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690143770 AYGINAZDWPKVER-SFNKJDCFSA-N 442.564 1.399 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccccc2)CC1 1690143912 GIQBGIZFIXYYJQ-HXUWFJFHSA-N 434.544 1.828 30 10 IDEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(=O)NC)C1 1690165499 AGTBZBCNSFPBSD-SFHVURJKSA-N 436.541 1.811 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1690175251 SOIKLUGTUCECNF-QZTJIDSGSA-N 438.619 1.800 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCCN(C)S(=O)(=O)CC 1690208131 ZHXMCQBDDSZUFK-OAQYLSRUSA-N 430.578 1.928 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1691001341 HJLDIDQOJURRSK-MRXNPFEDSA-N 436.520 1.790 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1692767858 ZDNNIVSYEFGUSX-MAUKXSAKSA-N 448.549 1.202 30 10 IDEE CN(CCC1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696791669 AITNYIRVNVPNRJ-RWNPKEDZSA-N 444.536 1.561 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705523177 SSGXWJUVFSUAEU-UHFFFAOYSA-N 443.596 1.308 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1705560206 ILGTXICEBKZHPD-GUDVDZBRSA-N 437.610 1.265 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705563916 HUUIHFWQOMGPPK-RCCFBDPRSA-N 431.562 1.725 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1705567147 VCHQEMMBVJGWJO-DYESRHJHSA-N 429.546 1.844 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1705573791 OBGPMEXTQOTEJE-MRXNPFEDSA-N 427.530 1.082 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705909009 JSYWHOTULQISCQ-AYDFFVQHSA-N 447.458 1.460 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1706746838 FDUIDTADNPPCRJ-GDBMZVCRSA-N 431.518 1.738 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1711085004 YVKALLAJWOZWQL-RBUKOAKNSA-N 447.499 1.973 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CCCO 1722284056 YTLAVOYHOFTTKU-IEBWSBKVSA-N 445.589 1.653 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1722369482 ZVKKXOIPYLCDHN-INIZCTEOSA-N 447.586 1.664 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1722429301 JXZOBTNRMNPTDK-JPYJTQIMSA-N 442.564 1.958 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1722740742 SHILHBVCAYWFDZ-AWEZNQCLSA-N 432.550 1.887 30 10 IDEE CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1722770862 ZQFWLDFRTPCSIY-QFIPXVFZSA-N 442.520 1.890 30 10 IDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1728086124 RTZBAGJUUQTBDL-HXUWFJFHSA-N 426.521 1.975 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1729396452 FHSVMYANYXDKTN-CEXWTWQISA-N 445.545 1.228 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1730992404 CYRSLMPOMZIMCG-SFHVURJKSA-N 440.529 1.903 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1740558090 QTKCMHHYLUECGM-QGZVFWFLSA-N 429.546 1.473 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1740624499 JGRKFLGWTZFOQH-FHWLQOOXSA-N 448.568 1.905 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC1 1740677872 TYVXDXOOPCYLFK-QGZVFWFLSA-N 448.568 1.763 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(CC)s2)CC1 1740690550 KFHXMAOFAUCFSB-OAHLLOKOSA-N 436.607 1.316 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740720605 FOFIECXJJAXVJT-NRFANRHFSA-N 439.633 1.847 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(C)(=O)=O 1740729568 HPISCLIPVZAJIS-HXUWFJFHSA-N 441.517 1.135 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1740752262 VCIMVOAMFIVHIW-ULQDDVLXSA-N 436.582 2.000 30 10 IDEE C=C(C)Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1740784893 BQGCALRBMZMLEV-GREBRCKQSA-N 446.596 1.495 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1740868088 DHJTXAGMHSEXQX-UONOGXRCSA-N 426.568 1.889 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1740957765 AEWPZYZEYUOMAQ-ZTFGCOKTSA-N 442.495 1.637 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCOC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965705 RQIGXGHZZUHRRE-ZACQAIPSSA-N 448.568 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740990764 FJUGKZGYQPKIRI-PKOBYXMFSA-N 437.610 1.693 30 10 IDEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1741114943 HKOZCSOVZGZCIG-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742829270 UFCJJLHGKKDWOD-VXPUYCOJSA-N 441.536 1.342 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1745339023 UYFQQLHHHSUBPU-ROUUACIJSA-N 437.504 1.810 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CCOC)c1 1748650820 FKEGXBXVYQEORF-INIZCTEOSA-N 442.545 1.698 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@@H]1C 1748772491 WPAKQQIJECCIQU-QRWLVFNGSA-N 432.550 1.156 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1748802180 MUQXQTMXZOMSON-QGZVFWFLSA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748817746 PQWXERUVIDNNJP-VQTJNVASSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748818086 VKKBBPYYRLDUET-MSOLQXFVSA-N 436.578 1.758 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1748982771 CZGJOFKQIFDWMN-IBGZPJMESA-N 425.581 1.628 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2cnn(C)c2)CC1 1749001520 VILMGMBGEGQZMD-PMACEKPBSA-N 427.553 1.124 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1749009880 MHVSNTSVTZSZRG-VQTJNVASSA-N 430.597 1.724 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1749676916 IDZDSRMGISWBHD-UHFFFAOYSA-N 441.536 1.053 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749682862 BHMVJWDWXNKBPT-YZVAWVHESA-N 449.552 1.079 30 10 IDEE COCCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)cn1 1749856276 HIONBBKLJPULJZ-FQEVSTJZSA-N 427.488 1.473 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1750060636 IEDLGXUAOQFCKC-CABCVRRESA-N 443.537 1.113 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1751099062 TWERMLSJCDQCOQ-ARFHVFGLSA-N 426.587 1.874 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1751193122 JIMXBBVZOAKWPY-YJBOKZPZSA-N 432.550 1.823 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1760135232 NOKXVATXFNOMOP-UHFFFAOYSA-N 435.532 1.956 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760183369 ORJJDVZVGQYORV-RHSMWYFYSA-N 433.490 1.515 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1760225130 IPFBYNYCIMETOG-OHZJNBGDSA-N 437.591 1.275 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCc2nccn2C1 1760251732 FPQDJSOGUXUZJS-HBFSDRIKSA-N 428.537 1.547 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](c2ccco2)N(C)C)CC1 1760252965 ZIWIMICEWRMBBW-IBGZPJMESA-N 441.580 1.848 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1760280055 CKMAGYZYKZTOQP-HXUWFJFHSA-N 443.573 1.925 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760448538 GPSUIUURSXGBFB-UHFFFAOYSA-N 434.566 1.793 30 10 IDEE COC[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1770952117 ZBTTUVIQKHDYEH-OSCRUYLVSA-N 430.509 1.314 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)C[C@H]1C(F)(F)F 1771496854 PUYFSVSIZNMYCE-IUODEOHRSA-N 447.425 1.935 30 10 IDEE CCN1c2cc(F)ccc2C(=O)NC12CCN(CCn1cc(C#N)c(O)nc1=O)CC2 1852586600 FAWYUFJDBZMCMO-UHFFFAOYSA-N 426.452 1.022 30 10 IDEE Cn1ccnc1S(=O)(=O)C1CCN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)CC1 1853272981 VNXLYMDCJZRVRB-UHFFFAOYSA-N 441.557 1.973 30 10 IDEE Cc1ccnc2c(C(=O)N3CCN(S(=O)(=O)CC#N)C4(CCCC4)C3=O)cccc12 1854419138 URNZODPKHKNKDL-UHFFFAOYSA-N 426.498 1.994 30 10 IDEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCO)cc1O 1862609570 PSURBRFJNIKOKN-IBGZPJMESA-N 427.409 1.743 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 1866806062 QZUYYCNFCDCJPX-AWEZNQCLSA-N 442.497 1.824 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870009181 JXVKWBMORSRTPZ-UHFFFAOYSA-N 439.432 1.527 30 10 IDEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 1870108971 FJDIZHVVRNARDF-KRWDZBQOSA-N 438.488 1.959 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)cc1 1874433778 XWKZUVHYKFRLJU-LSFURLLWSA-N 428.474 1.504 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CC(Oc2cccnc2C#N)C1 1891305127 OVLPIQIBZBVNRG-MRXNPFEDSA-N 443.529 1.349 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013635384 COKCTADJWCEPOL-HZPDHXFCSA-N 437.537 1.876 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#CCN)ccn1 2164488843 YTNKCJGUZXYTSG-FQEVSTJZSA-N 430.461 1.158 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224081690 SZTLABRUKUXISD-YQQAZPJKSA-N 435.330 1.134 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676221 GZPHKBSTTOEKRM-JQWIXIFHSA-N 427.332 1.655 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255378753 DFKBECNUXFUNHD-NRFANRHFSA-N 433.314 1.939 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]12 2255645196 GCCHMLXKAVBPCP-KBPBESRZSA-N 430.314 1.371 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255697614 CDPKUVXZMAORJV-ZBFHGGJFSA-N 435.330 1.034 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255817026 ORJPORGIRRFJDA-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255826114 KSCCLSQXJNTYFZ-CQSZACIVSA-N 434.346 1.706 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](COCc3ccccc3)C2)n1 2255838391 FNWBDCQHCFCLPN-KRWDZBQOSA-N 426.326 1.793 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)nc2)OC1(C)C 2267174785 WUJJTCRSOBRTTL-GFCCVEGCSA-N 442.247 1.307 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267613856 GFJDTYRAXCMAPO-HOTGVXAUSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 2267879171 FZILOXHAEACUES-HUUCEWRRSA-N 444.341 2.000 30 10 IDEE N#CCCN(Cc1ccco1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286039378 NBRLAKXCBCUEER-KRWDZBQOSA-N 435.458 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2337206894 ULPLXWWOYPRATE-GASCZTMLSA-N 446.357 1.658 30 10 IDEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccc(Br)cc3)[nH]2)CC1 253578768 YTBVVRXKXKKROO-VCHYOVAHSA-N 438.355 1.879 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(=O)NCCN(C)C 433883803 RDBHBTOJSGUZLA-INIZCTEOSA-N 445.383 1.692 30 10 IDEE C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 438535937 SVJHQMYJKYGVBV-INIZCTEOSA-N 427.530 1.656 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 447116534 NIWMCMLDQJLMBW-QGZVFWFLSA-N 426.427 1.869 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)C1=O 466507720 YDVRXVPHSRNQTD-LJQANCHMSA-N 434.562 1.396 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 478746298 LSTCBJNGIUQLAG-AEFFLSMTSA-N 442.512 1.727 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(OCCN(C)C)cc1 481516874 IDXAPNFDODSYQY-INIZCTEOSA-N 430.530 1.482 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@@H]1CCCO1 486839256 LOJFJHXQLLBJEV-HNNXBMFYSA-N 449.935 1.909 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1C#N 489078371 QTQNHXNWLHUQMW-UHFFFAOYSA-N 442.469 1.235 30 10 IDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)c2)CC1 505019485 VBSGKMZZTWRSDH-UHFFFAOYSA-N 447.561 1.104 30 10 IDEE C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508815502 BFOOHYUCTFCADV-NRFANRHFSA-N 438.576 1.987 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2nc(C)no2)CC1 508871740 GFLYQKUMNQKGTQ-UHFFFAOYSA-N 428.522 1.469 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 508908212 RISVXHLMBHTNAV-QGZVFWFLSA-N 442.586 1.041 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 514475048 IDUZLXOGCJQXIZ-GOSISDBHSA-N 441.553 1.135 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 533599600 CNDMMZUHZPZLMY-UHFFFAOYSA-N 427.526 1.921 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 539250562 DTHUAOVERCPYPK-ROUUACIJSA-N 445.530 1.802 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)CC1 546220347 MALXOZCOUTUAFH-UHFFFAOYSA-N 427.505 1.177 30 10 IDEE CC(=O)N[C@@](C)(C(=O)NCc1cc(F)c(C#N)c(F)c1)c1ccc(S(C)(=O)=O)cc1 561938109 GPXVQZWRRGILRO-HXUWFJFHSA-N 435.452 1.908 30 10 IDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CCOC)C(=O)C1 562031566 JOHJMLDYIFNKOH-UHFFFAOYSA-N 437.342 1.917 30 10 IDEE Cc1[nH]nc(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)c1C#N 571250905 AKAFNKDYFVESLE-LUGKEOMYSA-N 427.464 2.008 30 10 IDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2ncccc2C#N)CC1 575066926 MDWQHDUNRAHXCK-QGZVFWFLSA-N 442.545 1.542 30 10 IDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2-c2ccccc2)CC1 603786630 FRWFFYFEORTTJZ-UHFFFAOYSA-N 444.560 1.566 30 10 IDEE C=CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 619563320 CHSMBEQEWPXGMU-MRXNPFEDSA-N 444.575 1.298 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2Br)CC1 727447264 WABGQDMBQFTNAB-NTUHNPAUSA-N 428.352 1.669 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1C 729671988 SEYFGIYNKFYPIX-UHFFFAOYSA-N 441.516 1.660 30 10 IDEE CN(C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(C)(C)C#N 748839451 XJZMNJHGJVJETP-UHFFFAOYSA-N 436.534 1.454 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 753990920 QJYFBPFHGRPPBV-OAQYLSRUSA-N 447.495 1.251 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C1 754419657 HSQHZQZPHQEUAX-MRXNPFEDSA-N 434.518 1.763 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 755083361 NWHBEEDMROWCCI-GOSISDBHSA-N 442.516 1.581 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)C1=O 771440160 OPBPYUQACDJFAD-FCHUYYIVSA-N 444.488 1.368 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCOC 790356816 QUPIXPGMELCMRX-MRXNPFEDSA-N 436.537 1.860 30 10 IDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)cn1 793467836 GRIKAGRZBAEEQF-UHFFFAOYSA-N 432.505 1.785 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CCOC)c1=O 794582165 SQLXVVYPMHEFPI-INIZCTEOSA-N 444.528 1.756 30 10 IDEE CC[C@@H](NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 795801675 BSOCLUZKMFRUJY-IAFNSTAXSA-N 426.926 1.815 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC(=O)N2C(C)(C)C)cn1 796863731 REENQBMIEITHSO-UGSOOPFHSA-N 447.492 1.624 30 10 IDEE COCCn1c(NN=Cc2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C 1081159495 AVEUUCBMKLLHEF-UHFFFAOYSA-N 435.282 1.289 30 10 IDEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 1131664180 PMACCPDOVXOWGM-GOSISDBHSA-N 447.557 1.030 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)cc2OC(F)F)C1=O 1134769118 JKHUCBGENHUZHK-UHFFFAOYSA-N 432.177 1.966 30 10 IDEE N#Cc1ccccc1CSCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1135827840 IQALXKNSNXKPIF-SFHVURJKSA-N 428.489 1.721 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(F)c3C#N)CC2)cc1 1146355416 CSCKCGCBZGILTD-UHFFFAOYSA-N 446.504 1.588 30 10 IDEE Cn1ccn2c(CN3CCN([C@H](C#N)c4ccc(Br)cc4)CC3)nnc2c1=O 1168939712 BSKNEBGCHYOUPR-MRXNPFEDSA-N 442.321 1.573 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](CN(C)C)[C@H](CN(C)C)C3)ccc2c1=O 1171386189 UJVAJDWDWBSGKD-IAGOWNOFSA-N 429.590 1.683 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(N3CC[C@@H](O)C3)CC2)CC1 1174741515 BINQIZLMUHYTSH-FGZHOGPDSA-N 429.540 1.066 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N3CC[C@@](C)(C#N)C3)cc2)CC1 1221721739 NRWCTLTZPGOFTR-QHCPKHFHSA-N 427.549 1.717 30 10 IDEE C#CCOc1ccccc1CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1227925365 XUIWMJOOAOCVJG-UHFFFAOYSA-N 446.485 1.727 30 10 IDEE C#C[C@H](NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)[C@@H]1CCCO1 1234636838 OYDFZRNGBGJASD-IKGGRYGDSA-N 435.521 1.799 30 10 IDEE C[C@]1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1(Br)Br 1264322202 UICBXJANEKKVNN-GFCCVEGCSA-N 433.104 1.953 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1286298967 ROAFBDUIFULJJR-YJBOKZPZSA-N 432.546 1.978 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H]2C)c1 1286307794 AUTZABDYXJRFGB-HLLBOEOZSA-N 444.561 1.601 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286323700 LXSRBWCHSPLBKX-DLBZAZTESA-N 437.566 1.699 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286339450 MDIWETOKIGWVGQ-APWZRJJASA-N 441.557 1.724 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1286414872 BYYJKCCSQDSNTH-UHFFFAOYSA-N 425.464 1.318 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1286431551 PHPBNLNLHNGWBX-UXHICEINSA-N 431.606 1.765 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1286456543 RXEOFQALWJVQPM-PXNSSMCTSA-N 440.523 1.729 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCC(=O)N(C)C)CC1 1286494517 UWXOOXXPEUILRY-GOSISDBHSA-N 430.553 1.354 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286563066 NWVKCGXWEGHMCD-NXHRZFHOSA-N 439.582 1.629 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1286565580 BMRSGHCTZAPIHQ-INIZCTEOSA-N 428.603 1.402 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286613087 PYNAKCXQJIZUPL-HXUWFJFHSA-N 440.552 1.834 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC)C1CC1 1286738171 RKOZUGLSHWQJFN-INIZCTEOSA-N 427.571 1.317 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(c2ccccc2)CCOCC1 1288167038 ALZJNQWIIXZCSL-IBGZPJMESA-N 438.532 1.893 30 10 IDEE C[C@@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1291136977 HYZATGHIEZLIKN-VQIMIIECSA-N 428.562 1.924 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1291804476 QDWDMNWXNMECIA-HJPURHCSSA-N 435.532 1.838 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1296340650 WVGLETVOBZIXEW-QGZVFWFLSA-N 427.490 1.371 30 10 IDEE C=CC1(CC(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1296859980 OJTZWXNEBZOBJF-UHFFFAOYSA-N 425.526 1.898 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1298933610 QJCNAGIULHAVCV-FGTMMUONSA-N 435.532 1.745 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1299321378 CUBXIJKGJJRJKD-FQEVSTJZSA-N 448.549 1.545 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)Cc1cccc(F)c1 1300321378 LKXMWHAWTATDFF-MRXNPFEDSA-N 426.496 1.356 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300423123 IGLYYFQEMDCXDF-GOSISDBHSA-N 442.541 1.906 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300433022 WEKUWQQLZRGMMI-MRXNPFEDSA-N 435.463 1.478 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300495502 ICEVIRRVKZSSDJ-TWFHAPMSSA-N 436.578 1.698 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1300497497 ZGRGFDZTEGPHTA-IRXDYDNUSA-N 442.607 1.262 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1300883557 CUNJAQZUPAJBFM-BJLQDIEVSA-N 433.553 1.448 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1301297251 OHKBYAZHDWNGDI-MRXNPFEDSA-N 436.538 1.075 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301492879 QLRVXAGRVXPQPB-ZDUSSCGKSA-N 433.900 1.573 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@@H]2C(=C)C)C1 1301538160 FWEMJKCBLMSSRR-BSDSXHPESA-N 439.582 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nccs1 1301567227 FOEBHDDYSGMKMV-UHFFFAOYSA-N 447.546 1.619 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1301578422 AISBKKNBCLDMTQ-SJORKVTESA-N 436.582 1.919 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1302475331 LWENGTKVDXWJSH-UHFFFAOYSA-N 444.492 1.603 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 1310456371 YFONOBWASOKTEU-UHFFFAOYSA-N 435.731 1.720 30 10 IDEE CC(C)(C)OC(=O)N1CCC(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1312946003 OGWIWTAWILRTJG-JXFKEZNVSA-N 440.566 1.603 30 10 IDEE CC(C)(C)n1cc(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(O)nc1=O 1313275307 JVMHOOCVXXURBF-INIZCTEOSA-N 425.493 1.757 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C#N)CC1 1314674214 MOZJSFANMFTTPT-UHFFFAOYSA-N 433.494 1.485 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCOCC1 1315032164 AQYXUCIHGZBPLQ-KRWDZBQOSA-N 425.537 1.357 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)C1 1316529454 ABQGXJBJLGUHNC-HNAYVOBHSA-N 441.529 1.208 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCO[C@@H]2CCOC2)cc1 1316533142 FFUHLTCRPFYWCG-LJQANCHMSA-N 440.504 1.251 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1358890075 KPXRERRXPKSDKH-GVDBMIGSSA-N 439.582 1.799 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCC2)c1 1358902773 YWCHJRNDKDISEE-IBGZPJMESA-N 449.559 1.770 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358964895 JQLJKYGOCJPFRU-YLJYHZDGSA-N 449.602 1.830 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1358992547 OVUJINUOQWMUGE-OAQYLSRUSA-N 427.512 1.985 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NCC)CC1 1359173632 KREQQCRWBVUYKC-CQSZACIVSA-N 426.587 1.453 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1359343125 MKTGSJCPFIOEMG-OAHLLOKOSA-N 443.595 1.378 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCc2nccn2C1 1360672178 NDIYZLXCAOYERT-ZBFHGGJFSA-N 432.554 1.087 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(C2CC2)CC1 1360680616 FXIYOULCQZVVBG-AUUYWEPGSA-N 439.561 1.205 30 10 IDEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1435542439 MWHYWGKNMKLKIB-ZWKOTPCHSA-N 442.472 1.332 30 10 IDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCN(C)CC1 1456168449 GRTIBYHEBYPLAR-UHFFFAOYSA-N 435.546 1.072 30 10 IDEE Cc1nc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1-c1nc[nH]n1 1456590720 OGOKNAGJZSJXAI-BQBZGAKWSA-N 445.274 1.937 30 10 IDEE CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1464799974 AGDPXSREIGWIPQ-UHFFFAOYSA-N 449.433 1.962 30 10 IDEE C[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCN1CCO 1467341178 WQKTXRQJKIMSHM-JXFKEZNVSA-N 428.533 1.918 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1502969484 FEKCTBGLMVDUTM-QQMHEVNUSA-N 437.504 1.872 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507632358 ZMBFRTHVLBSWPA-RBUKOAKNSA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507632894 QGOCQOCOBQRIOM-FQEVSTJZSA-N 448.637 1.200 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1507638343 ZORRUHSWQAFEJA-UHFFFAOYSA-N 442.545 1.111 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1507652286 FKKIQVGSKJJIGT-HXUWFJFHSA-N 448.552 1.681 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1N(C)C 1507703668 ZMYVXSIKSCVIHX-UHFFFAOYSA-N 434.504 1.521 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC)N2CCCC2)CC1 1507718102 BLFBBAFJVDEDMT-URXFXBBRSA-N 444.624 1.948 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1507731750 CEKWJVVUNXWIQY-IFMALSPDSA-N 439.560 1.972 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC2)CC1 1507735883 JEUYBOVSONBRHV-JPYJTQIMSA-N 445.564 1.321 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507759734 NLKCZNFEZNJSGR-UFYCRDLUSA-N 449.621 1.527 30 10 IDEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507853044 GHIYYOXMAGOHAM-ZFWWWQNUSA-N 448.886 1.457 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508104744 NJZTWKKGKDIIEY-IAGOWNOFSA-N 445.545 1.466 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1508174293 HBMSHXKPJIKYCQ-UHFFFAOYSA-N 434.508 1.341 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1508768864 NIGRRJRFPNQXEA-QHCPKHFHSA-N 435.532 1.600 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1517242688 KQEHOQLXDSCEJZ-YGKKUGEXSA-N 430.509 1.519 30 10 IDEE COCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519037610 RUFVPHYCNGFEJU-KRWDZBQOSA-N 443.577 1.873 30 10 IDEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCOCC1 1538510690 UCEBKLRGXPYGTC-UHFFFAOYSA-N 435.546 1.395 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1539003797 GLDNYEFLPVJBHH-HOCLYGCPSA-N 427.505 1.956 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1539011648 CNZRQYARCYIRLG-VQIMIIECSA-N 447.561 1.516 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539140967 WNMFGBKFJGGHOF-UHFFFAOYSA-N 440.548 1.489 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539210385 DMTWDIQMOWLLMW-SFHVURJKSA-N 439.545 1.562 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539219404 CEVNIPCVISPUAJ-WWMYMODYSA-N 448.545 1.647 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539323135 CWWFVSPOJOFEIN-QZTJIDSGSA-N 439.482 1.898 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1539526510 LGZQQHBGDPHPBW-UHFFFAOYSA-N 444.561 1.694 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)c1ccccc1 1539764900 BDIQBZSMQVKAPF-XIRDDKMYSA-N 447.517 1.716 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1540074450 YUYRSLITOZUSOV-APWZRJJASA-N 427.505 1.908 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540862050 PMWNYLIMCGCKHT-BBWFWOEESA-N 425.555 1.192 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@H]1C 1540871385 KLTKVWKTRZCIEB-ZBFHGGJFSA-N 447.536 1.745 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1540874597 LYNYRMUXFPXYBS-QHCPKHFHSA-N 441.532 1.772 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542724787 FNUFDGLDAPWJJD-BSBNDGSWSA-N 433.472 1.509 30 10 IDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1543264235 KBAMRSCLYGRECR-TZIWHRDSSA-N 429.546 1.467 30 10 IDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1543471336 WLQRSNCIQGVKDB-HNNXBMFYSA-N 426.491 1.012 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1545170610 FLKAYQAMZWTTDX-FDDCHVKYSA-N 435.532 1.790 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)Cc2c(CO)cnc(C)c2O)s1 1557017587 HLNUUFMWUFIQJN-UHFFFAOYSA-N 439.559 1.705 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)n(C2CCCCC2)c1C 1560169790 WMUXYEPTSNUOKF-KRWDZBQOSA-N 434.566 1.255 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1588050245 PSGLWGYJGARYKN-QGZVFWFLSA-N 446.577 1.011 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1588064174 CDEAAGPHLTZRJO-QGZVFWFLSA-N 435.500 1.936 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1588271071 DLQMTOBZYUCRQX-JOCHJYFZSA-N 446.573 1.983 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1588387456 UJHZQAGMAXKKRS-LJQANCHMSA-N 447.561 1.436 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@@H]2OC)CC1 1588962305 ZBNMPUSXVMEHCY-OALUTQOASA-N 442.564 1.181 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(F)c1 1595550654 GPUFHQUAAGUQFZ-WMZOPIPTSA-N 447.536 1.963 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1595562189 PTWYHPNTNYUVJB-LJQANCHMSA-N 440.548 1.588 30 10 IDEE CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607489212 NZBPHGIIORZUKH-KUHUBIRLSA-N 435.484 1.203 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1611633565 IDHITVLPQPBRQJ-MGPUTAFESA-N 433.534 1.492 30 10 IDEE CCCN(CCC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1614742733 IZYUSKOUASPXIX-ZPHPHTNESA-N 429.525 1.667 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1617907468 FEUJGACALBOITM-UHFFFAOYSA-N 432.488 1.492 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1618790642 BOSQNPVCTUHNCC-QGZVFWFLSA-N 435.546 1.390 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1619554284 VITSPFRSXWJABZ-UHFFFAOYSA-N 436.516 1.895 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1620053114 GQSRZEJBGBQLPY-QFIPXVFZSA-N 427.505 1.600 30 10 IDEE C#CCN(C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1626434970 PJDPPBRLCDZCKX-INIZCTEOSA-N 433.530 1.637 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(-c3ccccn3)n2)s1 1633264642 DSTKXBOICYWTPX-UHFFFAOYSA-N 429.527 1.923 30 10 IDEE C=C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCC 1633695873 HJLFNBTVNGRMCW-MRXNPFEDSA-N 434.562 1.827 30 10 IDEE C[C@@H](CC(=O)NCCOC(F)(F)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1637401712 WDBBVTQXHSNSIY-VIFPVBQESA-N 429.367 1.792 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 1639611705 GMSUQYGUCPXTEQ-JKSUJKDBSA-N 436.534 1.645 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 1639876575 HJBQWOBJGHYLAQ-GOSISDBHSA-N 439.578 1.663 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc2c1OC(F)(F)O2 1640755893 DWZJFBNGWGVJJZ-LBPRGKRZSA-N 437.424 1.905 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 1642225117 GQVRZFRXSWTCPA-MRXNPFEDSA-N 427.404 1.759 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(OC)cc3)cc2F)CC1 1644282054 REJLUJRVNXVJPR-UHFFFAOYSA-N 431.489 1.727 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccc3ccn(Cc4ccc(CO)cc4)c3c2)c(=O)nc1O 1649066489 ZQHPYGKLYMCHMP-UHFFFAOYSA-N 429.436 1.955 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(Br)ccc3C#N)CC2)C[C@@H](C)O1 1650622726 RKNYMSZLOAVZRO-ZIAGYGMSSA-N 443.367 1.797 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(OC)cc2)CC1 1650846100 KDHAWSLAZOEZII-UHFFFAOYSA-N 441.509 1.152 30 10 IDEE C#CCN(C)CCCNS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1655495823 KJSVHYSFICBNER-UHFFFAOYSA-N 428.352 1.957 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2-c2nncn2C(C)C)CC1 1667633514 ZWGOUCZSKGWYID-UHFFFAOYSA-N 431.522 1.143 30 10 IDEE C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)C1 1673972589 AMZPCWHDDUSJII-IAGOWNOFSA-N 438.532 1.798 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1682439625 NNHBIGYQGLCPCZ-TWOQFEAHSA-N 440.566 1.746 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1689825687 BGPSMJDMNPXDFO-AVGNSLFASA-N 426.568 1.558 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1689853181 PYHZOGHNQREJJV-VQIMIIECSA-N 447.561 1.320 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(C)C)CC2)CC1 1690150266 AXBCPOKGZXCJTM-UHFFFAOYSA-N 426.565 1.803 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1690227995 LBVYABBWYTXSTB-AWEZNQCLSA-N 427.347 1.932 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690306601 YIKHZWXXJMVFNL-QGZVFWFLSA-N 442.520 1.769 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1705572462 BZNBLPDVBJDQBE-UHFFFAOYSA-N 448.508 1.450 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@H]1OC 1705576311 JOFTUNLVRMDXQD-AZUAARDMSA-N 442.541 1.473 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(CC)S(C)(=O)=O 1705609799 RBRPAOALADKSIH-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705725898 WZLIVBKQKJHJAC-JKSUJKDBSA-N 442.549 1.133 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1705754743 FHWYHUCGRBPDDO-HNNXBMFYSA-N 426.930 1.395 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1705754760 FRJKPWFCNBXULG-HDMKZQKVSA-N 430.958 1.707 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1705762415 YDWMAZWKTYPYLK-UHFFFAOYSA-N 434.541 1.866 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1708275554 FUQHCEVTUADFKJ-QVKFZJNVSA-N 425.493 1.595 30 10 IDEE CC/C=C/Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709380607 KIOVEPMIJLZXHY-BDUNBXCCSA-N 435.536 1.857 30 10 IDEE CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)cc1 1711328898 ZREBPTLVJKBKGS-GOSISDBHSA-N 433.472 1.738 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1712567499 VCIWJAFPFCXBNK-QRVBRYPASA-N 436.557 1.088 30 10 IDEE C#CCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722341250 VVTHIZJPWACUPO-JOCHJYFZSA-N 427.553 1.792 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722364954 BBTURCARXVSIIK-VQTJNVASSA-N 449.621 1.529 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1722437642 ONCUIBCNQYQIOE-CTNGQTDRSA-N 426.540 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC(C)C)CC1 1722449090 GJVOWYPYVOFPRY-UHFFFAOYSA-N 441.580 1.921 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1722473898 IZIQUYGGOBXJNZ-YLJYHZDGSA-N 437.566 1.030 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722695061 QXVMRRLWPZYCIN-QGZVFWFLSA-N 426.521 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1722732398 YDCCTSWUAVEUJR-KRWDZBQOSA-N 447.561 1.386 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)C1 1723470544 HQZNQFNOUOFBMG-UTKZUKDTSA-N 433.532 1.313 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1726514830 MQEWWKNADRRMCO-UONOGXRCSA-N 429.550 1.775 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1740571262 OTXAWOTUBXNCJD-HDICACEKSA-N 446.577 1.892 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1740671265 CHWONQQFEYHCQF-HNNXBMFYSA-N 433.509 1.209 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(O)(CC)CC)CC1 1740701165 WVXRXEUFVHFLMV-UHFFFAOYSA-N 430.553 1.031 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC(C)C)CC1 1740750940 VWVVVXPRVOBRIT-UXHICEINSA-N 448.612 1.945 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCS(C)(=O)=O 1740752675 ZIAJGPOHUYSAPY-WBVHZDCISA-N 448.549 1.387 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1740758326 WLNIRVQSTPDETH-UWVAXJGDSA-N 430.553 1.692 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1740791820 CVHZNKUOGQOJCH-OAHLLOKOSA-N 437.504 1.854 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740950952 NQYHMWOKUGRSRW-OAHLLOKOSA-N 428.541 1.226 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](OC)C1 1740952571 IFXFHXMGKGGZKS-CQSZACIVSA-N 437.342 1.964 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740957089 AVFZIRVQUKIBNJ-UHFFFAOYSA-N 427.553 1.437 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740962003 OWOLHENPICAWRJ-QUCCMNQESA-N 439.564 1.113 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1740973011 QADPEJJOBJYCAE-NFBKMPQASA-N 447.580 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1cnn(C)c1 1740992405 PFKIBGJBBQOVQC-AEFFLSMTSA-N 434.566 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740993838 DTVKYZPZMKQRNY-DOTOQJQBSA-N 440.591 1.771 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741991743 MWVADWGPVAAZCN-LAYTVVDLSA-N 427.509 1.164 30 10 IDEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1742007107 GSQBPJHALKEWQH-LJQANCHMSA-N 437.548 1.629 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccncc2)CC1 1748798990 NFKXXYZFIKTJOJ-UHFFFAOYSA-N 436.564 1.077 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748814779 JCBXXDZRQZFJGV-MSOLQXFVSA-N 436.578 1.842 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748821682 SPERZRBMGSWVAQ-MOPGFXCFSA-N 446.577 1.191 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1748858536 PLTSFQKHINQRGK-GOSISDBHSA-N 431.537 1.822 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748888048 MVUVEORBOSLNCA-FQEVSTJZSA-N 442.527 1.938 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)c1 1748891480 HUFPUERIMBPAMF-WMLDXEAASA-N 425.493 1.264 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1748892900 XUKCUSGOYHDIGT-SIKLNZKXSA-N 435.528 1.974 30 10 IDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1749299591 QWHXSSQIPNFLIK-UHFFFAOYSA-N 427.534 1.791 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C(C)C)CC1 1749342438 FTDOJRXHILUSBM-FXAWDEMLSA-N 441.598 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1749721291 FWKOKVZNHASJGH-UHFFFAOYSA-N 439.611 1.879 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1750039957 RXQVUFQVBFQXRX-UHFFFAOYSA-N 439.520 1.723 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)CC(C)C)c1 1760162861 ILNLWCXTHAUZCP-INIZCTEOSA-N 446.577 1.991 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1760221115 KFNNVCPRVGSYDZ-UHFFFAOYSA-N 440.511 1.966 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760242889 RHBAEBUOBYSQHW-ZWKOTPCHSA-N 437.610 1.866 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1760323342 CKUCSVHXWXDPTJ-XMSQKQJNSA-N 440.548 1.540 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2CCCO)CC1 1760396315 ALCXKSGQWOMXKW-SJLPKXTDSA-N 440.614 1.138 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760520700 XHBLYVLEZGEKBS-UHFFFAOYSA-N 427.553 1.669 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760527168 OCTNQASQWXMTQV-QGZVFWFLSA-N 440.504 1.015 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760559835 UKWHWVQXAHASKK-XLIONFOSSA-N 439.582 1.031 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1760700317 FSSVULBVNGVVGP-JJRVBVJISA-N 430.534 1.353 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CC(=O)N1C 1763089396 KLUGUYIRSVICTL-SFHVURJKSA-N 437.548 1.596 30 10 IDEE CCCN1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1764423057 LAOPRLKFKGKVCZ-FQEVSTJZSA-N 426.569 1.991 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCNS(=O)(=O)Cc1ccon1 1768659620 GYOUGQVEKOFRNA-UHFFFAOYSA-N 441.517 1.771 30 10 IDEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1771152589 IEAOUETZOOWPQP-LPHOPBHVSA-N 438.532 1.709 30 10 IDEE O=C(c1cn([C@H]2CCCN(C(=O)C(F)(F)F)C2)nn1)N1CC(F)(F)OC(F)(F)C1 1849130211 MXTBHCKHUWORNB-QMMMGPOBSA-N 433.284 1.662 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2C(=O)NC[C@@H]2C2CCCCC2)CC1 1852170020 YCSNRILFSNSVMS-UXHICEINSA-N 425.533 1.561 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1=O 1854955836 SUZKAXKBBNQUCT-SFHVURJKSA-N 439.965 1.881 30 10 IDEE CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(C#N)c3)cn2)s1 1858277952 XAMOJUDPUNRSME-UHFFFAOYSA-N 443.470 1.816 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 1858313999 FVSPUGCYNSKMNM-HNNXBMFYSA-N 425.919 1.953 30 10 IDEE C=CCNC(=O)[C@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861612097 WKVFNQPDZYJHSM-HOCLYGCPSA-N 433.530 1.366 30 10 IDEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862556870 AWWMPPBYOOHRPS-IBGZPJMESA-N 425.441 1.697 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2CC 1865225666 XOAVPXALEQRBQY-IBGZPJMESA-N 439.516 1.805 30 10 IDEE N#CCc1[nH][nH]c(=NC(=O)c2c[nH]c3ccc(I)cc3c2=O)c1C#N 1866154849 LMUQBTIZHXNSPA-UHFFFAOYSA-N 444.192 1.468 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 1869930303 XBCKZNCICUUTSF-SFHVURJKSA-N 430.505 1.992 30 10 IDEE O=C(NCCCN1CCCC1=O)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933298 CQLNAEQBBHWKKO-HXUWFJFHSA-N 440.525 1.595 30 10 IDEE C[C@H]1CCCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)C1 1869993055 BIDPAANYCNCUER-YOEHRIQHSA-N 428.518 1.998 30 10 IDEE CCCCCCCOc1cn(CCOCCO)c(CN2CCN(CCO)CC2)cc1=O 1870414676 VUTWMHWIMXNCGE-UHFFFAOYSA-N 439.597 1.316 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCOC)CCOC)n2CCOC 1873557929 BHCFBHOAAPWFLS-UHFFFAOYSA-N 431.537 1.991 30 10 IDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccncc1 1874336805 DJBIUTPOFNUXOW-IMQYADFFSA-N 429.550 1.898 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cs1 1891272652 GCTQBDYARHTTAS-GFCCVEGCSA-N 430.486 1.611 30 10 IDEE COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC#CCN(C)C)cc1 1891762773 PHYGQDUDFGIGKC-QGZVFWFLSA-N 445.541 1.836 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1993269237 CXSQVLCWQVJSBP-KBPBESRZSA-N 426.514 1.622 30 10 IDEE Cc1cc(C#CCO)sc1CN(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2156988752 IBVXCGDSEWWYPT-UHFFFAOYSA-N 446.550 1.848 30 10 IDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247828538 OQMNCFIYHRXMST-SSEXGKCCSA-N 442.347 1.472 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626537 HGHKQSWFXHVNCZ-GHMZBOCLSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255638955 CENSWSJULVRQQS-HNNXBMFYSA-N 430.314 1.681 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)OC(C)(C)C)C1 2255815677 QYPKUZLGWWJGNX-NRFANRHFSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256619097 VOAQOLSZWPNLIA-CQSZACIVSA-N 435.330 1.985 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(B2OC(C)(C)C(C)(C)O2)n1 2267130308 MSLGXAFCMGRZSP-CQSZACIVSA-N 445.329 1.304 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)n1 2267191305 ASAHNYICHSEPRN-GOSISDBHSA-N 439.369 1.756 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267197295 XJRAOCNVYOLBJL-SNPRPXQTSA-N 448.329 1.073 30 10 IDEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@H]1NC(=O)OC(C)(C)C 2267264843 XKARKAWGYAIKHG-NVXWUHKLSA-N 449.357 1.688 30 10 IDEE CCn1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267492210 PLKFEZNOGGGOJC-MIFYACCESA-N 446.357 1.797 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)n1 2267505485 JFJLUCXALXEWOC-FRFSOERESA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267874061 WCKIEAUIFTZDEL-CQSZACIVSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268658649 ULSHVBBJCVVORR-UHFFFAOYSA-N 446.353 1.974 30 10 IDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2272083862 JVTDWYUDOAWOSN-APWZRJJASA-N 426.491 1.099 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)OC1(C)C 2282832798 RKVDVWLTYCXHBW-CYBMUJFWSA-N 427.303 1.508 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCS(=O)(=O)CC3)cc2Cl)OC1(C)C 2282840446 GYUNNVQFGPDOOS-UHFFFAOYSA-N 441.789 1.120 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2303950044 IAPFXMPCPQBMAM-UHFFFAOYSA-N 428.335 1.319 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2312855116 YTCWURGOBZUQNX-BPLDGKMQSA-N 432.330 1.837 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)OC(C)(C)C)C1 2315614291 RQODGCQMLUYOGS-NRFANRHFSA-N 434.346 1.849 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2337185055 UHETYIQBWVLNGU-KKUMJFAQSA-N 446.357 1.847 30 10 IDEE CS(=O)(=O)C1(C#C[C@@]2(OCC(=O)O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2367793627 DEGFAPRJZMSWFO-FQEVSTJZSA-N 435.498 1.840 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 20805959 ULPVCWIXBFVKTA-UFFVCSGVSA-N 426.462 1.350 30 10 IDEE CC[C@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1)n1c(N)nnc1SCC(=O)OC 40173916 VHRMSZVKTAGOHM-CQSZACIVSA-N 440.489 1.773 30 10 IDEE COc1cccc(N2C[C@H](C(=O)NCC#Cc3ccc(N4CCNC4=O)cc3)CC2=O)c1 96351097 ZCJOHEXCVOKAIR-GOSISDBHSA-N 432.480 1.746 30 10 IDEE C[C@H](C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)n1cnc(C#N)n1 409486568 RAFZUBZOMCDFML-CQSZACIVSA-N 442.476 1.645 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCCOc1ccc(C#N)cc1OC 439923801 SEJRRUDXWQOXSZ-PBGAUENZSA-N 430.457 1.677 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 461327853 AJPOWMCWOVBVQS-UHFFFAOYSA-N 432.502 1.685 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@](O)(C(F)(F)F)C2)CC1 471194981 QHKHSPSETYTYGX-SFHVURJKSA-N 439.394 1.454 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@@H]3CCCO3)c2=O)nc1 474359935 VXEFPUZLDKUONF-KRWDZBQOSA-N 447.520 1.329 30 10 IDEE COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(F)c1 481781643 QUZGBAPMHDIWBA-YOEHRIQHSA-N 447.488 1.512 30 10 IDEE N#C[C@@H](C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1nccc2ccccc12 483226350 IPBHVKVLGHBUFB-LJQANCHMSA-N 434.477 1.845 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 504063044 ZADZJPRPTGWQJQ-UHFFFAOYSA-N 435.528 1.994 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)N(C)Cc2ccccc2)CC1 508939554 TUXJDXYDQCRNLU-LJQANCHMSA-N 426.521 1.926 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 514334206 XFOHTYCDWHUMQP-SFHVURJKSA-N 441.528 1.790 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C 532221556 TUXKVNGOGUQKCX-BEFAXECRSA-N 428.514 1.041 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)CC1 537043069 QTOQGHRWVCQMJW-NHCUHLMSSA-N 429.609 1.793 30 10 IDEE C[C@@H](C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)n1cnc(C#N)n1 540793207 RGGVUPCHGXSXIN-NSHDSACASA-N 431.503 1.744 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CC1 542216189 BRQWMBBQYKXIAM-UHFFFAOYSA-N 425.539 1.521 30 10 IDEE Cn1c(=O)c2cc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cnc2n(C)c1=O 543874522 BICBZSVCVITLDX-UHFFFAOYSA-N 435.831 1.595 30 10 IDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN(c2cccc(C#N)n2)CC1 544831674 ILNKMWORPKADST-UHFFFAOYSA-N 436.516 1.219 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(F)c1 585685248 HUIVEFVBUZYWDA-HXUWFJFHSA-N 428.439 1.642 30 10 IDEE N#CC1(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)CCN(Cc2ccccc2)CC1 611498534 GFKOHQLKEHFWSF-UHFFFAOYSA-N 426.542 1.941 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1F 619695149 NFYQWVUUGSSMHD-HNNXBMFYSA-N 445.516 1.264 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C3CCN(C)CC3)c2=O)cn1 735067893 BBSRWRUAFZWVAB-UHFFFAOYSA-N 441.601 1.901 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)cn1 735069501 UVESSRHXIADRQZ-UHFFFAOYSA-N 447.564 1.939 30 10 IDEE COc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C#N 746680653 MKRDUOBQPBEBHS-UHFFFAOYSA-N 435.527 1.830 30 10 IDEE C#CCC1(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CCCCC1 754530960 XXIPWUWEWDJDLS-LJQANCHMSA-N 425.577 1.923 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCCO2)cn1 756085195 SUTFKGUEMHISFM-JXFKEZNVSA-N 436.582 1.472 30 10 IDEE Cn1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 765547290 MTHIAEZUGSCAHR-INIZCTEOSA-N 426.502 1.319 30 10 IDEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768415394 AOIWVZXTCFILBC-INIZCTEOSA-N 447.540 1.462 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774254356 WCNDPEXXKOCQDC-DLBZAZTESA-N 435.546 1.362 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 786082690 OGSVOPGURHYURH-UHFFFAOYSA-N 432.952 1.510 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 786364724 GOLOTZHWYCVCQM-YZIJNVFYSA-N 445.516 1.401 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 794308765 NHCWXPXPOMCART-JTSKRJEESA-N 449.573 1.936 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 803523332 NJTAVUFFOUCADY-IBGZPJMESA-N 425.510 1.172 30 10 IDEE CCOC(=O)C1=C(COC(=O)c2cc(C#N)ccn2)NC(=O)N[C@H]1c1ccc(OC)cc1 803849676 PDSDBPWGUYAZRI-IBGZPJMESA-N 436.424 1.990 30 10 IDEE C#CC[C@@]1(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 804692278 JEYVLZCFTGLFSZ-UZLBHIALSA-N 427.567 1.710 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/CCCN(C)c2ccccc2)N(Cc2cnn(C)n2)C1=O 807938102 UXYBCIKMDCTBEJ-MBOBHEEDSA-N 429.550 1.278 30 10 IDEE CC(C)C(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809125138 HHPHFYPWOKHIJT-ZDUSSCGKSA-N 446.298 1.912 30 10 IDEE COc1cc(CNC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)ccc1C#N 810866746 JEPAXRUQEDEUCZ-HSZRJFAPSA-N 436.468 1.967 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812431502 KAQJIEFGMSNYEQ-ZWKOTPCHSA-N 429.521 1.696 30 10 IDEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@H]1CCS(=O)(=O)C1 917701096 VJXHAVQDRFUOIP-HOCLYGCPSA-N 432.527 1.346 30 10 IDEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc1OC 1084120563 YZYZUVIBQINQJE-UHFFFAOYSA-N 444.521 1.718 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cccc(OC)c3)n2N)cc1 1084240492 UTGCENBLNUUIGW-UHFFFAOYSA-N 441.517 1.864 30 10 IDEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cc1 1084288063 PJNMQRALKSXXLX-UHFFFAOYSA-N 432.491 1.928 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)N(C(=O)OC(C)(C)C)CC1=O 1126037971 MXCKZRFMXFWGCF-MOPGFXCFSA-N 441.532 1.301 30 10 IDEE COc1ccccc1NC(=O)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1136137044 CZTBAPWRQDBJRU-UHFFFAOYSA-N 425.445 1.097 30 10 IDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1154888773 GTTPDCBHPFQMGF-QFBILLFUSA-N 441.513 1.033 30 10 IDEE Cn1cc([C@@H]2C[C@@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cn1 1159681123 AABRBOJEGNBTIT-WDSOQIARSA-N 436.472 1.533 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CCOC)CC2)cc1 1160822237 BBZFYUAGPZQHAB-UHFFFAOYSA-N 437.518 1.263 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 1175515275 VGZOEQDUQGMGGT-OXQOHEQNSA-N 442.582 1.072 30 10 IDEE COC(=O)[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1198140916 QHJOLQSOZPZQTH-IRXDYDNUSA-N 428.489 1.427 30 10 IDEE CC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2 1251652671 UHNDHHMWGWBCFH-YNQKSYQNSA-N 438.550 1.402 30 10 IDEE C[C@H]1CN([C@@H](C)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1277542653 VFIUBBITMJVZBF-YIOZNXECSA-N 427.505 1.377 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1286271062 QSKFMWRSBSBWGD-QGZVFWFLSA-N 425.537 1.619 30 10 IDEE C#CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286336119 VKEYPZATRSQHSF-HTAPYJJXSA-N 444.536 1.206 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286390560 AVQYSCUSQTYHDV-ROUUACIJSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286392361 GUXHDGSFAKYXGL-MOPGFXCFSA-N 431.562 1.706 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286393086 KBYFYDIQDMARIM-MOPGFXCFSA-N 444.557 1.796 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286393793 SBMKSOFGDCPIGW-YLJYHZDGSA-N 442.589 1.373 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N(C)C)c1 1286432293 DPNLLWCNROJJIG-UHFFFAOYSA-N 432.528 1.614 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(CCOC)C(=O)C1 1286774764 HHQLFSCVVATQCK-UHFFFAOYSA-N 448.568 1.874 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(Cn4cc(Br)cn4)cc3)C[C@H]1CS(=O)(=O)C2 1289205114 MJNYFPJLQNMZPO-YJBOKZPZSA-N 449.330 1.704 30 10 IDEE Cc1nc(Cc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1290442208 VQZDEQPJEAYPNP-NFVGTTHASA-N 445.524 1.954 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1294911564 CGGZPZKCYYIBCT-GOSISDBHSA-N 428.493 1.107 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300268023 MLXQFLSHKYNZPB-SFHVURJKSA-N 438.580 1.459 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C2CC2)N(C)C)c1 1300333330 ZPSDFIDJDKTBKA-VQTJNVASSA-N 449.559 1.626 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1300381861 WQKHJTBFDBDFHN-DLBZAZTESA-N 447.561 1.968 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1300391027 DJAWTTQFFGBJKS-QGZVFWFLSA-N 429.546 1.724 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1300403008 DHYAPYDCHLMJBG-OAHLLOKOSA-N 429.550 1.319 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccnn2)CC1 1300421820 SBLFAXHYTGTLBQ-UHFFFAOYSA-N 436.545 1.800 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497406 BBXNSRWSTMKBQP-SFHVURJKSA-N 438.594 1.689 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300596169 VBLREWRLMSXLRA-KRWDZBQOSA-N 427.471 1.931 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1300619614 ZEHLQWIRFBKJBS-XMMPIXPASA-N 449.559 1.591 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1301223127 NFZMTGAPYAQCNK-BZSNNMDCSA-N 440.614 1.496 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccnc2C)CC1 1301507873 ALQSBTHYCXLTIS-UHFFFAOYSA-N 438.561 1.658 30 10 IDEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1305099295 LTUKFUDNWRCDSQ-UHFFFAOYSA-N 432.550 1.904 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1309653692 FWJKKOVYONVRDL-UHFFFAOYSA-N 442.559 1.437 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC[C@@H](CC#N)C2)C1 1313274304 FLSITKJOOKTXNC-JKSUJKDBSA-N 428.555 1.746 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCN(C)C1 1316085779 GUCHVLDYZIOJPP-HSZRJFAPSA-N 448.531 1.326 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O 1316483538 QYABYRMAPQEXJC-AYBZRNKSSA-N 445.545 1.371 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1358896781 LYPVDMOYATYBFF-MRXNPFEDSA-N 443.552 1.891 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955104 DQGCJYURFHMZTB-KRWDZBQOSA-N 445.545 1.122 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1358960807 MINMKXAFIXPHGI-QGZVFWFLSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1358965351 SSWHDEQRZZJGIB-YZGWKJHDSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)F 1358984324 QGINYDWUTCNWGV-UHFFFAOYSA-N 430.459 1.966 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N(C)C)CCSC1 1358999505 UCMAHIBUDWQZFX-CNNODRBYSA-N 431.606 1.902 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)CN(C)C)CC1 1359034172 GKXPIGSYGRYXGS-UHFFFAOYSA-N 448.575 1.937 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC(=O)NC)CC1 1359042043 PNCXIRJUJPPNIX-UHFFFAOYSA-N 434.500 1.793 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1CC 1359057568 CYYSBBBUHDWFDD-IKGGRYGDSA-N 441.623 1.602 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1359265408 FATOWFZAQSIQHV-PMACEKPBSA-N 443.596 1.596 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359276490 FABNWNSJIILQEB-NRFANRHFSA-N 443.529 1.718 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359303128 FJTSYWBUWYDQEZ-KRWDZBQOSA-N 427.534 1.335 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1359426403 GIUZCCWFSUOOJJ-NRFANRHFSA-N 426.546 1.790 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C1 1360784519 GNIKMCVNZLVYHQ-LPHOPBHVSA-N 434.522 1.382 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1451195390 NLHRRHGWBCYYNX-DLBZAZTESA-N 442.541 1.405 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1455205557 SBWJREBYVKLWKU-SFHVURJKSA-N 438.546 1.707 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CCCOC(C)(C)C)CC1 1455224456 DDUIXXJVLUDMOB-QGZVFWFLSA-N 436.578 1.574 30 10 IDEE C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCN(C(=O)CC#N)CC1 1460120138 AVMWYPGPUKZNLU-OAHLLOKOSA-N 430.464 1.847 30 10 IDEE C#C[C@@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1460312699 YQABARWCNBSWMW-OAHLLOKOSA-N 425.938 1.645 30 10 IDEE N#Cc1cc(NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)ccc1N1CCC(O)CC1 1466017557 ANFMFTQVTYSYAD-FQEVSTJZSA-N 440.475 1.317 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2csc(-c3cccs3)n2)CC1 1471450693 HBHHSSGZLXXSQN-UHFFFAOYSA-N 438.600 1.761 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)(F)F)cc2)CC1 1471451568 WLDVVMMYINRDAD-JKSUJKDBSA-N 431.436 1.301 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 1478233803 KGDPOPIDTDPQNA-LSDHHAIUSA-N 446.495 1.992 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)c1 1492547621 DWYUTOLCTXEXPB-FPOVZHCZSA-N 440.548 1.741 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1495486256 FCQRUOTZLABLGO-NXHAUGRDSA-N 429.525 1.423 30 10 IDEE COC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504585208 HLOPXRCAXPULDE-ROUUACIJSA-N 427.509 1.037 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@H](C)O1 1504720052 CIGDTQOXRDKFKW-KXBFYZLASA-N 447.499 1.599 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCS(=O)(=O)C1 1507687241 LPOMFYMLUOEDIB-OAQYLSRUSA-N 441.513 1.609 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCCNS(C)(=O)=O 1507699434 CQXMOQXXFOLPFK-UHFFFAOYSA-N 430.509 1.991 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1507768789 WYFZRTFMVINIAZ-LAUBAEHRSA-N 427.530 1.695 30 10 IDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507787428 DIMWRGVQLPYYAO-MRXNPFEDSA-N 435.326 1.514 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507812905 QUGCEHZFMXJDEK-FCEWJHQRSA-N 427.571 1.629 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1507982637 NSOUGMMENNHHHT-MRXNPFEDSA-N 427.571 1.319 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1508018368 CZNDATIASKSXSN-HOTGVXAUSA-N 428.580 1.183 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1508034947 YEYXPZMRJLXUHN-HTAPYJJXSA-N 429.521 1.769 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1508084996 DXQQEZKEDOQGKW-GDBMZVCRSA-N 443.577 1.934 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1508091491 LXGCOIWUUHQGSA-UHFFFAOYSA-N 438.532 1.574 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC)C1 1508106083 UNSKYLLNNWKAPT-ROUUACIJSA-N 427.505 1.694 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1509946326 QYLLHINAZKMBIN-MRXNPFEDSA-N 448.535 1.966 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)C1=O 1533487584 KGNUXYSDXHKFOP-QGZVFWFLSA-N 427.457 1.431 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2C1=O 1535299532 KKQFFJZSVXNHBC-OAHLLOKOSA-N 429.473 1.834 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1539013275 IIXYCUVMEUWGRV-DOTOQJQBSA-N 447.536 1.136 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C(C)C 1539178847 KQWYQHBTRGVUPQ-IRXDYDNUSA-N 427.571 1.132 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1540136537 IRBFZSFFLNBXBE-XMSQKQJNSA-N 428.512 1.628 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1540169252 ARZSOPFJXGIQNG-QFBILLFUSA-N 425.555 1.359 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540915493 MBIAKSHSMYSMEX-HNNXBMFYSA-N 435.598 1.779 30 10 IDEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1554280103 FMOBFDCYAOOAJY-KRWDZBQOSA-N 431.438 1.727 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 1557387163 QBHRZSDFVYQOFN-UHFFFAOYSA-N 429.517 1.744 30 10 IDEE C=C(C)C[C@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1558130159 BPSDDFKKSVTVCS-PISNEZEASA-N 429.517 1.914 30 10 IDEE CN1CCN(C2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)CC1 1560078538 WCRWYBDTNNQVTI-HXUWFJFHSA-N 430.622 1.169 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1588054979 QVQKOAIVTRQJAU-SJORKVTESA-N 448.549 1.471 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N1CCSCC1 1588420520 DPPTVEZQGWLVGP-UHFFFAOYSA-N 439.632 1.769 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[C@H]2COCCO2)CC1 1588871496 FQRSYPGOXNCMER-IBGZPJMESA-N 441.532 1.426 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)CC)CC1 1588871763 PHQWJTBQMIANDQ-UHFFFAOYSA-N 445.589 1.664 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 1589048233 YXPJWDFMAALERX-UHFFFAOYSA-N 429.594 1.896 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)NC)C1 1589305529 RVPJHUHOQQXEAZ-UONOGXRCSA-N 430.347 1.873 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1594454927 JNFLHKSJTIEEEL-JKSUJKDBSA-N 438.598 1.692 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1595302506 ABZFRCKYMQNUQW-INIZCTEOSA-N 434.518 1.596 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595442164 GBVGVWNYVANNPU-UHFFFAOYSA-N 430.484 1.756 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602738 PKBRBIDZWNVQFP-JTSKRJEESA-N 443.552 1.348 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1595804508 AOQIIJGNSQJXIC-UHFFFAOYSA-N 435.598 1.976 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1596782553 JAILZRVFFDUQKC-DTWKUNHWSA-N 429.291 1.472 30 10 IDEE CC(C)Cc1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1606608030 IXAHZRNMBQHYQA-UNEBPCJRSA-N 427.553 1.678 30 10 IDEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1612748489 CSJJUXBRAMEPCV-KKSFZXQISA-N 444.561 1.449 30 10 IDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1613618845 BSGLWHNQDXQZNW-SFHVURJKSA-N 432.550 1.713 30 10 IDEE CCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613980137 AATUQYXCBYKXPL-CCEZHUSRSA-N 428.415 1.261 30 10 IDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)n(C)c2)C1 1618007004 BUOWKPUNRDYFDH-CQSZACIVSA-N 434.518 1.495 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1622351924 PLGZROASHJIGPN-RTBURBONSA-N 438.569 1.913 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)cc1 1626947769 BDEVFMFDSIGDCB-OAQYLSRUSA-N 449.529 1.405 30 10 IDEE COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)cc1 1627154105 INDDPMMKTVGDEH-FUHWJXTLSA-N 442.541 1.876 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccccc1 1627654690 PMEBSVVSJRQKNS-INIZCTEOSA-N 442.541 1.369 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1COCCC1(OC)OC 1629922748 NZEABYYDXDSTEC-RDJZCZTQSA-N 439.534 1.178 30 10 IDEE Cc1cc(C(=O)NC2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)no1 1631255074 WWQIZRBPMXSLPB-UHFFFAOYSA-N 434.449 1.454 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 1634600983 GKWIUURKOVDQBU-LJQANCHMSA-N 434.537 1.907 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4COC[C@@]4(C(=O)OC(C)(C)C)C3)cc2C1=O 1641109555 MAPNFBBOYXIWSU-WNSKOXEYSA-N 426.469 1.899 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3cn(C4CC4)c(=O)nc3O)C2)C1 1644551894 NODKQQGDNVWUOM-NXNIQBKKSA-N 443.504 1.687 30 10 IDEE N#Cc1cccc2c1CN(CC(=O)Nc1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1659242972 KCKBVRULLMXWRS-UHFFFAOYSA-N 426.498 1.533 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1672281736 GWTGNBSZAWKEJT-RHSMWYFYSA-N 426.495 1.496 30 10 IDEE C#CCN(C(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1)[C@@H]1CCS(=O)(=O)C1 1687867556 OOVNEYAHKOSZHZ-WWTHOCDUSA-N 425.551 1.654 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O 1690009600 CTJSJLPOKITTNL-UHFFFAOYSA-N 443.529 1.071 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690184823 OURXFMALFDMSQP-UHFFFAOYSA-N 429.550 1.002 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2c(F)cccc2OC)CC1 1690676802 DWWRMVWMWQJXLC-UHFFFAOYSA-N 432.500 1.591 30 10 IDEE C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1693698054 AYZATNDHDODMEG-YKHTYXQRSA-N 427.509 1.275 30 10 IDEE CO[C@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1697225802 DRFLBXLOVHCFST-GUYCJALGSA-N 437.298 1.570 30 10 IDEE COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1697786434 VGLFNVBMISDRNK-IBGZPJMESA-N 436.495 1.842 30 10 IDEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)CC1 1698319287 CCKRANOBSOMWKR-PMERELPUSA-N 427.534 1.967 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1698493440 LWXCMRMBJFXYCN-HXUWFJFHSA-N 447.499 1.518 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1705585084 JZTYOVKSWQEPCH-UHFFFAOYSA-N 430.310 1.133 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1705591160 HQXSKFAUXHCQOA-QFIPXVFZSA-N 442.541 1.617 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1705703775 OUVDCSFCGJNWTC-UZLBHIALSA-N 443.552 1.391 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1)C1CC1 1705854442 KRAMBNRNTHLHAF-CVEARBPZSA-N 427.596 1.661 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1705860829 WWCQIYWIXHYZGE-KRWDZBQOSA-N 428.518 1.338 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1 1705898685 UITTXCDNGJVMBT-UHFFFAOYSA-N 439.925 1.144 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705898749 WMZLXFDOEIQYFG-HDICACEKSA-N 431.493 1.115 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(O)CCOCC2)C1 1705915084 AFTFYJJBKIPDQN-GCJKJVERSA-N 436.553 1.643 30 10 IDEE CCc1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709095322 VEIAMCHOSRRQND-JRWGXLCNSA-N 436.516 1.773 30 10 IDEE CCSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1710964491 WLYMVTZXBZCTHL-DOTOQJQBSA-N 438.623 1.500 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1711430668 ABKIVAPHPGAXDI-AEFFLSMTSA-N 443.529 1.641 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)OC 1712647294 UHIHLJUHVYDUQJ-KPFFTGBYSA-N 441.536 1.630 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCOCC(F)F)CCO1 1712884861 UOQCKTDAHQCUFN-INIZCTEOSA-N 431.447 1.917 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722361933 KRBKWKQZRJJITB-LJQANCHMSA-N 439.541 1.749 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722459638 OFQHSBQDVTWOQA-ROUUACIJSA-N 434.610 1.185 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1722697447 JXBDHMOUALSNOF-DLBZAZTESA-N 440.552 1.559 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722698116 UFORLNOSDQZZIQ-UHFFFAOYSA-N 440.552 1.581 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1724018157 PZGZWBTYXXCIRT-CVEARBPZSA-N 434.566 1.225 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1730918948 KNXZIEYYKZZXSK-LJQANCHMSA-N 439.520 1.426 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)F 1740532969 NKZYEUURGYLPAI-OLZOCXBDSA-N 442.492 1.433 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1740616622 DHPPQFIBCCBFMW-HZPDHXFCSA-N 447.517 1.142 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740621736 OOIMVQGOACUJQF-ZWKOTPCHSA-N 430.578 1.774 30 10 IDEE C#CCN(c1nnc(COCC)n1CCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740627138 FCKKOHCQZALISE-KRWDZBQOSA-N 442.545 1.491 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@@H]1C 1740685527 HZLVDDTVTUYKBO-IPMKNSEASA-N 438.594 1.862 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1740810327 BONOVGGKIKYRJX-MRXNPFEDSA-N 447.952 1.526 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2OC)CC1 1740825749 SWHSJESTTFEVRI-HNNXBMFYSA-N 434.566 1.689 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740839199 HKNMAYXULGCBQV-MOPGFXCFSA-N 435.594 1.841 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1740951009 PJEIQCDSYHBBNP-AEFFLSMTSA-N 429.569 1.172 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740958815 VMQHHOZAFQOLJO-GOSISDBHSA-N 434.585 1.269 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1740960185 MVIGZLCHMDQOOH-FGTMMUONSA-N 432.569 1.605 30 10 IDEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1742007106 GSQBPJHALKEWQH-IBGZPJMESA-N 437.548 1.629 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1747624224 UIPBLELNZIHDHF-ZWKOTPCHSA-N 431.518 1.246 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1748674053 OFFMPXIMGGIWPC-DLBZAZTESA-N 444.540 1.726 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1749053335 GTAIJIUKJLQRNU-TWOQFEAHSA-N 431.566 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(F)(F)CC1 1749666554 MURGMPFELZJXDI-UHFFFAOYSA-N 443.458 1.730 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749730471 FURRZWBORCNWEL-QGZVFWFLSA-N 446.577 1.744 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)C1 1751274507 TXQJYPDSQZULGJ-XXBNENTESA-N 443.596 1.881 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760185094 PMSZDBGASOJKBX-APWZRJJASA-N 427.530 1.726 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1760193057 SAGNSVAJPYATFA-BBWFWOEESA-N 440.566 1.054 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1760281998 UEBPIWQNFQJELE-KRWDZBQOSA-N 439.651 1.857 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCSC2(CCOCC2)C1 1760284327 KDAJHNJNYSRJPL-UHFFFAOYSA-N 435.619 1.869 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760440311 HBZITZWUXXJSPV-QZTJIDSGSA-N 435.594 1.889 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1763950482 ZGLNHHNLMZSPBW-SFHVURJKSA-N 439.564 1.890 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCCN(CC)C(=O)C2)n1Cc1ccc(C#N)o1 1764166781 XXCFTDUWYVSFQE-UHFFFAOYSA-N 427.509 1.768 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1766813671 AJWLWKNFNKHVRZ-LJQANCHMSA-N 444.561 1.858 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)C1 1770727596 HZFGCVVMOJLUGP-MGPUTAFESA-N 446.508 1.651 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1=O 1771139090 ZVJRTLZEBSMQFU-UHFFFAOYSA-N 434.447 1.741 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1772792804 OYADLGOZKRHGTG-UHFFFAOYSA-N 432.429 1.981 30 10 IDEE C=CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC)[C@H]1CCN(C)C1=O 1849245996 BPDWJYKAIWRULP-KRWDZBQOSA-N 437.500 1.545 30 10 IDEE Cc1nc(C(=O)NCCS(=O)(=O)N2CCCCC2)c(C#N)c(C)c1Br 1851599238 OBBGMUAGDWFCFH-UHFFFAOYSA-N 429.340 1.878 30 10 IDEE CN(C)C(=O)COc1cccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1 1851772331 NLRSBQOTLMEJDE-UHFFFAOYSA-N 437.500 1.399 30 10 IDEE Cc1nc(C(=O)N2CCC[C@H](n3ccc(=O)n(C)c3=O)C2)c(C#N)c(C)c1Br 1852982005 ZONKWJXNYXHULT-ZDUSSCGKSA-N 446.305 1.670 30 10 IDEE COc1cccc(C#N)c1OCC(=O)O[C@@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1853071141 UAHCLKNOBPDWLK-RTBURBONSA-N 449.463 1.501 30 10 IDEE CC(C)[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868783706 UIQASKUJBKVRRP-AZUAARDMSA-N 431.606 1.940 30 10 IDEE C#CCOc1cn(CCCN2CCOCC2)c(CN(CCO)Cc2ccccc2)cc1=O 1870560333 QXCKZFJTKFWFLW-UHFFFAOYSA-N 439.556 1.577 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NCCOc3ccc(OC)cc3)CC2)CC1=O 1872917497 COXBJEXVTNZCQT-GOSISDBHSA-N 429.517 1.463 30 10 IDEE COc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 1873529750 YKWJQCGMRFYYND-KEGHGJGQSA-N 426.882 1.720 30 10 IDEE CCOc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 1874333090 GVPYVHXMLOCIBL-DKNGMTOASA-N 446.533 1.566 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)CC2)CC1 1889403850 KDGLCLKXRXGQQP-JOCHJYFZSA-N 442.560 1.121 30 10 IDEE C#C[C@H]1CC12CCN(C(=O)c1cc3c(=O)n(C)c(=O)n(C)c3n1Cc1ccccc1)CC2 1891083249 WFFRIBPCNNXICQ-SFHVURJKSA-N 430.508 1.963 30 10 IDEE C=CCC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 1896046141 VNSYAAFAZYJEQR-CABCVRRESA-N 425.526 1.896 30 10 IDEE CN1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C[C@H]1C#N 2010470157 HSFLLVIPJARIDW-MSOLQXFVSA-N 430.505 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2011939634 OYJJPIIQVRESTI-WMZHIEFXSA-N 428.533 1.985 30 10 IDEE C#CCN(CC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1)C(=O)OC(C)(C)C 2214631518 CUXXNWATTIKAMU-IXDOHACOSA-N 437.537 1.543 30 10 IDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247829718 VHCMGBHWHSEMJA-UHFFFAOYSA-N 430.261 1.599 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247881040 QDXMLDSSNXFRGC-GJZGRUSLSA-N 438.355 1.930 30 10 IDEE CN(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)Cc1ccccc1 2247881254 UXFAGBABRONGPT-UHFFFAOYSA-N 434.371 1.130 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255695404 DNJVPDXVRKILMR-UKRRQHHQSA-N 432.330 1.761 30 10 IDEE COC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2256653992 LSXDYBRYGVUYFK-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)O 2256673157 QXFFHTDVOZQEBZ-HNNXBMFYSA-N 435.330 1.984 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267272485 ZLUGZQMBTSOPBK-MGPQQGTHSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2267284295 AKAVMQIBNFHFRY-UHFFFAOYSA-N 449.357 1.861 30 10 IDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC(C3OCCO3)CC2)OC1(C)C 2267461865 AQNSOVPKKMOZGK-UHFFFAOYSA-N 429.369 1.821 30 10 IDEE Cn1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267516143 ZJRVYNHSRUBKRI-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]3(O)CCSC3)cc2Cl)OC1(C)C 2282842889 FDZCMTBCWSARRX-OAHLLOKOSA-N 439.817 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2312604770 XYKQOLKMPMWHHT-OWCLPIDISA-N 440.346 1.412 30 10 IDEE CCOc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 2329021210 GVPYVHXMLOCIBL-AWEZNQCLSA-N 446.533 1.566 30 10 IDEE COCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)cc(OC)c1O 2331565647 FWLUNRDPWSYXHT-UHFFFAOYSA-N 430.284 1.361 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)cc1C#N 427781025 ORGNSBXCNYVJDY-UHFFFAOYSA-N 449.558 1.389 30 10 IDEE Cc1nsc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1C#N 439298160 SGMKXPFIRSNFFN-UHFFFAOYSA-N 435.531 1.662 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(C#N)cc1 460266182 RXTVCBSHWWBGHD-UHFFFAOYSA-N 429.498 1.696 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cn1 461283102 KGLOJNYUQGPNGM-HNNXBMFYSA-N 428.499 1.992 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)Cc2ccccc21 462085345 QOJZKXATLLCNIV-UHFFFAOYSA-N 437.485 1.953 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 469040482 RVMAENUCQRSVIV-CQSZACIVSA-N 444.479 1.963 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 472129342 AQIPLLVZNSEBDL-SFHVURJKSA-N 432.546 1.790 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 477771381 PCBNHXTXKYFELO-IBGZPJMESA-N 438.532 1.780 30 10 IDEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@@H]2CCCO2)c1 480098544 QLFVDAPUQYMURI-IBGZPJMESA-N 447.516 1.878 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 504075479 YURLLYNZYMMJDQ-JOCHJYFZSA-N 428.489 1.136 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)COc3ccc4c(c3)CCC(=O)N4)cc2C1=O 516392256 GCROHPBQPNNFEB-INIZCTEOSA-N 449.463 1.523 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NCc2ccccc2)nc1C 526839109 FHSULSAIBFRQLL-GDLZYMKVSA-N 435.527 1.798 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccn(-c3ccccc3)n2)CC1 532048991 TXOVUIKOWLFIOW-UHFFFAOYSA-N 435.509 1.820 30 10 IDEE CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540612425 MDJPWONGGINROH-SFHVURJKSA-N 434.562 1.578 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 548852544 ADGNFURBFAXBMK-SFHVURJKSA-N 449.533 1.205 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)C3CCN(CC(F)(F)F)CC3)CC2)o1 568904465 KRUCDMFPUXKXNF-AWEZNQCLSA-N 442.486 1.756 30 10 IDEE CCCc1cc(=O)n2[nH]c(NS(=O)(=O)c3ccc(C#N)c(Br)c3)nc2n1 572006748 CZOVHIQNVOZWJD-UHFFFAOYSA-N 437.279 1.805 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604002214 ZCBNGHBFJRRSHQ-UHFFFAOYSA-N 442.500 1.133 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 604002368 QTDXAKLDWLESLM-UHFFFAOYSA-N 436.518 1.098 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccccc2)c1=O 604269860 GQALKTRJGFRRBJ-UHFFFAOYSA-N 432.505 1.140 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)nn2)CC1 732649273 SGWNURLYYTVSSP-KRWDZBQOSA-N 429.525 1.662 30 10 IDEE C=C(COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 734028253 HPGLXAGJDIUCSV-AWEZNQCLSA-N 426.447 1.658 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC(=O)N2C)cc1 734964459 YBHKJVGOLQKXFD-AZUAARDMSA-N 427.482 1.732 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)CC1 736546066 GUDZVYXHPFGDTA-QZTJIDSGSA-N 432.521 1.696 30 10 IDEE COc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Cc1ccccc1 737305124 FFKWNAKCJRFLIL-DQRAZIAOSA-N 448.479 1.867 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 741392550 PQFUVMLYHQRURH-ZKCWRFQVSA-N 438.506 1.295 30 10 IDEE Cc1nnc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1C 742245557 OFEDLFOMYSRKHI-QJOMJCCJSA-N 433.538 1.007 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 761035448 CMPZPEGBPKDOOL-UHFFFAOYSA-N 438.513 1.121 30 10 IDEE COc1ccc(S(=O)(=O)N2CCSC[C@@H]2C#N)c(NS(=O)(=O)C(F)F)c1 774786077 ZAYRXFXPBFXENC-VIFPVBQESA-N 427.476 1.289 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 790105641 UAEAHXHMXJFNMK-UHFFFAOYSA-N 427.461 1.550 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n1 795373022 FKJDTSCNPYXJFX-TZIWHRDSSA-N 440.548 1.613 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 800773979 ORSRQOWLKSKRDA-RRFJBIMHSA-N 425.555 1.716 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 809923072 YADGSAXDCOSFEJ-ZWKOTPCHSA-N 443.552 1.949 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812100929 MMHSGPHDOSXKPO-OAHLLOKOSA-N 440.472 1.820 30 10 IDEE COc1cccc(C=c2c(=O)oc3n2-c2oc(N)nc2[C@H](c2cccc(OC)c2)C=3C#N)c1 1083907603 XCFOXSRBTBDQJE-LJQANCHMSA-N 442.431 1.666 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2nccs2)n1N)c1ccc2c(c1)OCO2 1084233997 CTDGWPMLBZVDOY-UHFFFAOYSA-N 432.491 1.744 30 10 IDEE CC1=C(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@@H](C)n2nnnc2N1C 1136286897 KXRRNCMLRDLCLM-GHOZOMOVSA-N 444.521 1.409 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1136458276 ZRLHIBDNCUKJOV-UHFFFAOYSA-N 425.411 1.992 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1151411985 POJMIMMVRAEWFP-NHCUHLMSSA-N 425.489 1.081 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)c1 1154114377 WOCDGVXOMUSXLV-UHFFFAOYSA-N 432.479 1.462 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2cncc(Br)c2)cc1 1171180292 CLUGIDPDUIODOA-UHFFFAOYSA-N 438.303 1.921 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)cc1S(=O)(=O)NCC#N 1179739443 LSSCOIIFVANDTA-HZPDHXFCSA-N 434.518 1.631 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OCC 1211880816 COOUHEOHUWUAID-GFCCVEGCSA-N 431.312 1.976 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1286421520 YMKFHWVAQNPVHN-KRWDZBQOSA-N 443.573 1.627 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N1CCOCC1 1286440380 WUFFPXRKDQUEAS-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286451736 OJYLQJJHOHLAKH-HUUCEWRRSA-N 447.561 1.728 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCCC2=O)c1 1286459404 OVAQZKJHNRNAFO-UHFFFAOYSA-N 433.516 1.940 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc2n1CCC2 1286469030 CJWZZELYVHEAHV-VQIMIIECSA-N 427.553 1.869 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)N(C)CC)CC1 1286471048 GOVSLCPSJXHCHM-QGZVFWFLSA-N 428.512 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc3c(c2)CCO3)CC1 1286494997 RBLWFFLVGHMFQZ-UHFFFAOYSA-N 437.544 1.958 30 10 IDEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1286713940 ILUWMILIQFHRLR-VLCRHTCISA-N 436.553 1.907 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1286765898 WGXGDAVCGHWXLI-UHFFFAOYSA-N 435.330 1.862 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3C[C@H]2CO3)cc1 1286794652 NJIRIBKKYGAESS-AYBZRNKSSA-N 447.561 1.869 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccco2)C1 1286800405 KOJHVAUVNZTGDQ-QMTMVMCOSA-N 439.538 1.170 30 10 IDEE CC1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1289024553 VKZIGJNEMUCTAZ-HMWBCQRISA-N 427.509 1.382 30 10 IDEE C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1291292532 FZHVVOZISQKPLE-QZTJIDSGSA-N 429.569 1.640 30 10 IDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1296570934 PPUJLDOGSSQHER-JTSKRJEESA-N 430.553 1.975 30 10 IDEE C#CCn1cc(CNC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)cn1 1297369770 LKFPXKCJACHBBM-QGZVFWFLSA-N 427.509 2.000 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2COC(=O)NCC)s1 1297741741 UQUWWINFZKBJOY-AWEZNQCLSA-N 429.564 1.882 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1300308502 CJUARUFGIGONFR-PNLZDCPESA-N 449.552 1.850 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOCc2ccc(OC)cc2)CC1 1300695431 AKGLGBOHFZLLOX-UHFFFAOYSA-N 435.532 1.659 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1300732801 PSUMTYLMKGTBJM-UHFFFAOYSA-N 446.602 1.807 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOCC1 1300891460 LCANGZNYYLKUSZ-IFMALSPDSA-N 443.596 1.889 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 1300992071 SYBBSZDDUPXCKN-KRWDZBQOSA-N 426.525 1.247 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)=O)CC1 1301027012 GTSVXIWKAZZUOG-UHFFFAOYSA-N 427.900 1.778 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1301452538 QSRFBJCFZBKDOD-CABCVRRESA-N 430.513 1.218 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1C 1301477438 AOSIMGBMDNWKKB-WMZOPIPTSA-N 446.577 1.840 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301586509 UKFPHAYCLCMJJA-HNNXBMFYSA-N 425.555 1.860 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCn2ccnc2C1 1301799975 PSOYXCVNQYGMDJ-QGZVFWFLSA-N 426.525 1.340 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)CCO1 1303003362 GPKHGAPFVPQYIX-LSDHHAIUSA-N 437.472 1.430 30 10 IDEE Cc1nc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1304678291 BZTDXDFUEYVYLH-CYBMUJFWSA-N 446.313 1.444 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)CC2)c1 1312945566 KXXXZKJHIXZIJJ-UHFFFAOYSA-N 446.573 1.512 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1323360832 IWEGCXUHPBFVBP-INIZCTEOSA-N 426.450 1.741 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)cc1 1350773052 CRAGBGYHCZAVRL-AEPTXUNZSA-N 440.525 1.896 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1358968513 OEZCOJCIQAVVRD-QGZVFWFLSA-N 428.537 1.889 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359054758 GKZHZLROZCYNKW-NRFANRHFSA-N 449.584 1.957 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(=O)NC 1359098237 YUPCYEKCDJXQGX-KUHUBIRLSA-N 430.509 1.559 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359125971 ARCTYWPXMIONFL-MRXNPFEDSA-N 427.509 1.575 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC[C@@H]2CCCO2)CC1 1359159384 VEZDUJJXFFJVFI-SJORKVTESA-N 427.571 1.630 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1359298388 XYYOPMNQUHPNOI-UHFFFAOYSA-N 436.520 1.200 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359330704 AFVFWBYPRXEURD-HNNXBMFYSA-N 433.494 1.143 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359334601 LEQOZZBJXVEYPN-UHFFFAOYSA-N 430.578 1.855 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1359736712 KGCCRSFLPBQLHM-JHBCHSCWSA-N 441.536 1.552 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)c1 1361035758 MUWBJLYXHIHECC-SFHVURJKSA-N 448.549 1.142 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1447359773 PLRGBVKNKYPIGW-GOSISDBHSA-N 427.505 1.817 30 10 IDEE COc1ccc(-c2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)cc1OC 1462989091 MQUNHWMCBLMUAR-DJJJIMSYSA-N 433.511 1.838 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)c(F)c1 1463290367 RSUAOZVPCDPCNS-SFHVURJKSA-N 445.451 1.643 30 10 IDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1463599050 LKURGKQEDAWROO-UHFFFAOYSA-N 430.442 1.622 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1466130584 SQPQTGTVDHZSQI-MRXNPFEDSA-N 432.525 1.671 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CC[C@@H](N(C)C)C3)cn2)s1 1466192197 RKZFVDLJRMUYBQ-MRXNPFEDSA-N 449.602 1.929 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1472439560 ZYSVGOMSLKCSDH-GJZGRUSLSA-N 428.938 1.860 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](COc2ccccc2)c2ccccc2)CC1 1477815622 OZNRNECVBHSXKG-NRFANRHFSA-N 442.541 1.602 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOC[C@H]2C)n1 1492748414 DZVJEUJJSQPEIC-KNQAVFIVSA-N 426.569 1.991 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1504882064 CKRWZCLGNPBQGQ-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC 1507589690 YNOHHXPMHKRUGV-HOTGVXAUSA-N 429.612 1.602 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1507592842 ZGKPHIUPWOQHDC-CVEARBPZSA-N 432.525 1.373 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507623443 SFPOIVQAUXJCKP-ZDUSSCGKSA-N 435.472 1.386 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507633066 RLFVAHBXEJYNDO-HKUYNNGSSA-N 435.594 1.283 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1507688456 ATFITBSJRMRZTF-HKUYNNGSSA-N 431.562 1.874 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2([S@](C)=O)CC2)CC1 1507736674 POWFQTQWAGCQIN-HKBQPEDESA-N 443.548 1.961 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1507756984 SSPKGEACDYPJQQ-GOSISDBHSA-N 431.537 1.716 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC 1507821083 UAUIKVOTRVEVBO-QFBILLFUSA-N 429.587 1.565 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1)C1CC1 1507993286 PFFVEJOKRYZAIU-SZMVWBNQSA-N 439.582 1.317 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1508058113 SHVZALNISQXLAX-GOSISDBHSA-N 426.496 1.836 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)C1 1508123607 IZVCDYCUAMDQCV-QZTJIDSGSA-N 447.561 1.191 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1509739571 BEWMQUBFWKLAQH-UHFFFAOYSA-N 437.548 1.951 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC2(C1)OCCO2 1510176609 QCYDFDLQVOVPMY-HOCLYGCPSA-N 438.554 1.171 30 10 IDEE CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513525998 JABFLRPCEMVRGB-UHFFFAOYSA-N 439.520 1.487 30 10 IDEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1516669165 OPSHHQKCDUJMOA-BEFAXECRSA-N 425.530 1.829 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCOC[C@H]1OC 1519321368 TTZLJJXKLDEOOJ-HNBVOPMISA-N 448.568 1.230 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCCC2)CC1 1539447874 YAEJGCYGXJOQDH-GOSISDBHSA-N 435.594 1.285 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539513735 RDRPTXRQBZRGLY-MRXNPFEDSA-N 437.533 1.238 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540869144 CVRDKCZPIUJZBE-HUUCEWRRSA-N 447.540 1.025 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)CCC)CC1 1540873355 WANAXMQBPRFRFT-UHFFFAOYSA-N 425.537 1.451 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1540875245 FQABLIOMWSPDEF-JOCHJYFZSA-N 427.505 1.463 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)C1 1540893278 ZNRIDRZJTLKLMJ-DLBZAZTESA-N 437.522 1.034 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1COc2ccccc2O1 1541908535 PDUCCLJPBVMECW-ILXRZTDVSA-N 434.522 1.467 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(-c3ccccc3)noc2C(=O)OCC)C1=O 1542060124 BTMQKWJQMGBHQC-UHFFFAOYSA-N 426.385 1.434 30 10 IDEE Cc1c(C#N)c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n2ccccc12 1543347730 JIAMVYHGYGXUSF-UHFFFAOYSA-N 437.481 1.492 30 10 IDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)CC1 1544078450 HSFITHHSQPLIKX-UHFFFAOYSA-N 443.525 1.983 30 10 IDEE CCOCCOC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1544373397 YTQKHDMYFXRFGE-LJQANCHMSA-N 428.489 1.807 30 10 IDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)c1=O 1547624504 DEWHNWXVHUCQIA-MRXNPFEDSA-N 431.500 1.714 30 10 IDEE 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CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1627843489 UNAXWYSBZZRPCV-QFIPXVFZSA-N 429.521 1.800 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H]2CCCC[C@H]12 1628720966 CYSVWJXUXJEMOF-KZNAEPCWSA-N 433.530 1.991 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)C1 1633661951 BMCOXVXEONCTTG-ZSDSOXJFSA-N 438.525 1.888 30 10 IDEE C[C@@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1639961815 IFXOFRJOVDZUCG-YJBOKZPZSA-N 430.505 1.518 30 10 IDEE C[C@H](CC(=O)N1CCc2c(sc(N)c2C#N)C1)NS(=O)(=O)c1cccnc1Cl 1639989073 HVNRJBNOXBNHOH-SNVBAGLBSA-N 439.950 1.892 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640916140 LIMCTQHCWHJSHO-VQTJNVASSA-N 431.452 1.827 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 1641625706 KNLLRBZFLBPZTN-KRWDZBQOSA-N 445.321 1.704 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 1656486626 RBMMZDZCDLSUKZ-UHFFFAOYSA-N 435.571 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CO[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1712076767 JPSXZVPWSNIERA-GWOGKKTRSA-N 425.493 1.661 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1712639431 GFWWATHYUKQVDA-GZRFBZBPSA-N 432.456 1.353 30 10 IDEE CSCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1712813140 KOQUVPCYBDIEQR-LSDHHAIUSA-N 430.600 1.493 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712885102 YVQFWKUGDPBCEH-ZWKOTPCHSA-N 447.490 1.349 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722359536 OIVLZWMQQJCLFV-AEFFLSMTSA-N 447.561 1.194 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722364738 AARQLVKDUPTERJ-SFHVURJKSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1722385385 HBDOBZLSNZROQF-UHFFFAOYSA-N 432.528 1.358 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722500026 OWHDSTSNVCEWFL-ZVDOUQERSA-N 446.596 1.757 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722607922 NNSIULPCNRODDZ-UHFFFAOYSA-N 426.587 1.633 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1722692849 YXKAQOOTLIQKOD-KRWDZBQOSA-N 429.569 1.127 30 10 IDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722742869 JRCLWPQHNYAXMM-SFHVURJKSA-N 442.545 1.599 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722850477 GCGFAFIICRYXQT-UHFFFAOYSA-N 435.532 1.838 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCOCC2)CCOC1 1723682691 QHWSNWUPMFBRIH-IFMALSPDSA-N 433.553 1.990 30 10 IDEE C[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1726739094 GHLDJDBHBBKYCL-MAUKXSAKSA-N 432.550 1.475 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740593644 LLZRCZYFLRQSPD-HXUWFJFHSA-N 435.576 1.810 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740624010 CAGMNUXIQJHLFC-WOJBJXKFSA-N 442.589 1.231 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1740669126 NKWYYGUGCBHULG-UHFFFAOYSA-N 433.516 1.697 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC2CC2)CC1 1740689761 CSZSCCWYUUEFDL-QGZVFWFLSA-N 440.523 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)[C@H](C)CCC)CC1 1740709103 AMXONRXYOJSWIU-IEBWSBKVSA-N 444.580 1.648 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740792475 IXQXPLFWNWORGM-MRXNPFEDSA-N 428.493 1.377 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740802221 JUBLKEPMGJVATN-BFUOFWGJSA-N 440.932 1.569 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCc2ccco2)CC1 1740832839 JFRBOPJRVPYBIP-AWEZNQCLSA-N 436.538 1.200 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1740952837 OWQUIVCGDXKSJB-CQSZACIVSA-N 437.497 1.094 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740959912 HDQBJSIBXFPMFF-JPYJTQIMSA-N 425.533 1.881 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F 1740960407 QYRCNVUSAVLXEQ-MRXNPFEDSA-N 435.525 1.300 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CC1 1740960684 XVXPQBMKXVYYEH-INIZCTEOSA-N 434.541 1.735 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)O[C@]3(CCCOC3)C2)nnc1C(C)(C)C 1740993525 DNFHDVZSXCICJD-OXQOHEQNSA-N 426.583 1.951 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1741016635 IZKYLHWDHFNOLW-TZIWHRDSSA-N 438.532 1.927 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1741150447 ALRZAKIZSOVZBE-ROUUACIJSA-N 435.532 1.694 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3(O)CCSC3)CC2)c1C#N 1742668972 HUTNKYLTCSQUFG-OAQYLSRUSA-N 444.609 1.684 30 10 IDEE CCC[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1745216422 ILPGLGUFBPJGCM-PVHMMBIOSA-N 429.525 1.628 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1746470296 QPSHUSSROAWOLH-HUUCEWRRSA-N 434.504 1.692 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCS(C)(=O)=O 1748039185 IBFBOBZEMUEYLU-IBGZPJMESA-N 440.529 1.778 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748088849 UXUHASTVYASLJY-AWEZNQCLSA-N 439.520 1.479 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748652095 WRQDGEUFVBTLIW-WMLDXEAASA-N 432.506 1.735 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1748807896 DAUVJGFAYFGLEV-KRWDZBQOSA-N 448.570 1.385 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748809017 PHUACUBJXMYTTB-DENIHFKCSA-N 439.541 1.604 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1748843485 GATBGYSSOJHOBG-FQEVSTJZSA-N 432.528 1.832 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1748856350 ZUUPIWKERXRDRZ-LJQANCHMSA-N 437.525 1.626 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2c(C)noc2C)CC1 1749009648 UTVKNMNMGAFVCT-UHFFFAOYSA-N 436.520 1.492 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749020145 MXPVXMUUXQFTPV-CYBMUJFWSA-N 446.499 1.288 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1749053332 GTAIJIUKJLQRNU-GQIGUUNPSA-N 431.566 1.655 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749225192 BYCALMNIUJBAFB-MJGOQNOKSA-N 432.569 1.511 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1749652081 HMWMQVAHOKBFDK-CVEARBPZSA-N 444.511 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2nccs2)C1 1749697678 MFMDQYGEOBVCTM-SOUVJXGZSA-N 440.595 1.930 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)C1 1749717558 MFQWMUAJIHDMTN-IRXDYDNUSA-N 437.566 1.149 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CCC(=O)N2)cc1 1750384574 FSFCJFUDRZPKTN-MRXNPFEDSA-N 445.474 1.394 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1751008149 IDBJOUVJRYCDQQ-MGPUTAFESA-N 449.533 1.455 30 10 IDEE Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1751908199 OZCBPUJUNKHWIX-IGCQWYOMSA-N 426.452 1.350 30 10 IDEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760284689 PWYXLLMUPSWMGZ-LJQANCHMSA-N 443.573 1.792 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1760312673 CAVMXYZMQAFNNZ-HOTGVXAUSA-N 442.358 1.969 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1760515197 QVULXXOCSOGUAX-MRXNPFEDSA-N 445.593 1.663 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1760524515 ZRBBUAQKDXRLMF-ROUUACIJSA-N 432.569 1.607 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760566428 TYKUXXBRTZRGIN-OAGGEKHMSA-N 439.607 1.062 30 10 IDEE CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1764808602 FZYMOMZTQLFZQI-INIZCTEOSA-N 426.502 1.790 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(C)COCCO1 1767930964 KFYNSKPBPFAOHH-QFIPXVFZSA-N 444.511 1.957 30 10 IDEE CCOCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCNC(C)=O 1767932027 GHMKDKQCTCWQGO-UHFFFAOYSA-N 442.524 1.404 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1769123396 AGWQDNPQZNVHCD-QHAWAJNXSA-N 438.532 1.973 30 10 IDEE CSCCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1771458367 ZWASUZVBAQJHDG-CVEARBPZSA-N 427.596 1.832 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)C1 1771529353 MIMKWJUQWGPCQH-SMDDNHRTSA-N 441.476 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1772660222 MRLSZXUFVMOQCV-KRWDZBQOSA-N 442.545 1.509 30 10 IDEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c(C#N)c(C)[nH]1 1851204363 SAYMWBNUJJQIEY-LLVKDONJSA-N 430.262 1.841 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(Cc4cnnn4-c4ccccc4)CC3)cnc21 1851263508 COFGLODKWPPKEE-UHFFFAOYSA-N 426.484 1.984 30 10 IDEE COc1ccc(N(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C(=S)N=CN(C)C)cc1 1851620060 KDMNNSDDVIDYRN-OAHLLOKOSA-N 432.546 1.931 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cn(CC3CCC3)nn2)cc1 1851780237 VPIODVSWQKEFID-HXUWFJFHSA-N 425.489 1.886 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1CC(=O)N(C)C1 1854750060 KMEDKIBLJNPGFH-MRXNPFEDSA-N 431.514 1.333 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(Cl)ccc3C)C2)CC1=O 1856804733 FBVKIXSIMKEHHA-DZGCQCFKSA-N 428.894 1.531 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CCc3ccc(F)cc3F)C2)CC1 1857065928 CNGHDXLKTYXTQN-INIZCTEOSA-N 439.484 1.838 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1=O 1857143941 LWZVMJBFSLWOFQ-QGZVFWFLSA-N 428.855 1.702 30 10 IDEE CN(C[C@H](O)CNS(=O)(=O)c1ccccc1C#N)S(=O)(=O)c1cccc(Cl)c1 1858028151 AUDPTUKVTVNJQB-OAHLLOKOSA-N 443.934 1.172 30 10 IDEE COC(=O)[C@@H](CC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1)NC(=O)OC(C)(C)C 2060637030 FYOYKCBYNIVHCI-MELADBBJSA-N 438.330 1.993 30 10 IDEE C=C[C@]1(CO)COCCN1C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2079179279 SPSDOHIEAFBZBA-ZEQRLZLVSA-N 445.560 1.932 30 10 IDEE C#CCn1ncc(N[C@H]2[C@H]3OCC[C@@H]3[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2162348597 MCAVQELBQHSDKI-QZKOUSHUSA-N 439.310 1.732 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2244600320 NWAMKHZYAZMQNR-OAHLLOKOSA-N 425.526 1.733 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N(CC(N)=O)Cc2ccccc2)OC1(C)C 2255795430 HBXHPUAJGHLBEB-UHFFFAOYSA-N 448.325 1.801 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255876830 QWLGJWXMDFZPEG-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267141848 ZNFUDCFBCABEKA-UHIISALHSA-N 444.263 1.627 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)n1 2267504590 VBIPILLSYZYHHI-HOTGVXAUSA-N 447.341 1.711 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)OC(C)(C)C 2267543030 AVDJEUBAGCCZJG-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)n1 2267545701 MOALDKGYZQUNST-BFHYXJOUSA-N 447.345 1.242 30 10 IDEE CCCC1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267576413 NOBSMAUSVFREFO-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267598414 ZPBDDIHTVUNDQN-GXTWGEPZSA-N 443.275 1.996 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267729536 MMQHNQIETCSMPV-HZPDHXFCSA-N 448.325 1.713 30 10 IDEE CN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286036442 LWQNGDWSMRPSEQ-SFHVURJKSA-N 431.470 1.699 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NCCO)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642977 ADHLLVLYTWRLEA-NFYPLLOASA-N 447.572 1.762 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](Oc3cccnc3)C[C@H]2C(=O)N2CCCC2)cc1 2297646609 POQAMYMUFVDMOE-QUCCMNQESA-N 426.498 1.786 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)C=Cc2ccc(F)cc2)C1 2328071907 PNIJJMZWOJMLCH-YLJYHZDGSA-N 435.455 1.941 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1 2330769959 JGAPMCOZIDGYSZ-UHFFFAOYSA-N 446.533 1.749 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2337196251 IYXFHOXYNYDGHJ-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1nccs1 20527411 HGWJXNAFOBLHFH-UBKPWBPPSA-N 435.451 1.239 30 10 IDEE N#Cc1ccc(CSc2nc(CC(=O)N3CCN(c4ncccn4)CC3)cc(=O)[nH]2)cc1 23243364 HQQONFIZENDOKN-UHFFFAOYSA-N 447.524 1.615 30 10 IDEE CCN(CCC#N)S(=O)(=O)N1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 409594242 AMDCDKUZPQZGTR-QGZVFWFLSA-N 428.942 1.652 30 10 IDEE CCN(CC)C(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447412098 DZKSCLCPBOEPGM-UHFFFAOYSA-N 445.491 1.516 30 10 IDEE CN1[C@H]2CCC[C@H]1CC(NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 466165800 KYTHPBXZWHIFLK-OALUTQOASA-N 431.562 1.589 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1C[C@H]1CCCO1 485933891 PNTBOURFCHYSTJ-MRXNPFEDSA-N 449.935 1.911 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3F)C2=O)CC1 488239536 CLZRVXICOQWJSW-LJQANCHMSA-N 428.489 1.809 30 10 IDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(c2nccn(C)c2=O)CC1 508711933 GDCHLVCQOGMTOB-UHFFFAOYSA-N 437.504 1.472 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 513726991 CYXIAMMCXPWUAW-GOSISDBHSA-N 443.525 1.561 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)s3)c2=O)cn1 531131262 JAKNHBAMTDNACS-UHFFFAOYSA-N 435.534 1.921 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 533297170 IBCXPHNSYIXGLR-MRXNPFEDSA-N 445.545 1.536 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 536692744 RZBJMZJQJQJNOS-HNNXBMFYSA-N 448.632 1.817 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1cccc(C)c1 539596651 CQHNXDXVYCYCIE-UHFFFAOYSA-N 448.548 1.949 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 549285084 DQOVFMMKZDEKAP-SFHVURJKSA-N 435.550 1.832 30 10 IDEE N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)ccc1Cl 555305221 WIXXLGJVQARNFU-MRXNPFEDSA-N 426.860 1.946 30 10 IDEE N#Cc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1Br 558214753 VPCIYAPDKUTNPH-UHFFFAOYSA-N 445.258 1.984 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 604485892 LOHMZNPRFRZQLI-UHFFFAOYSA-N 448.501 1.783 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3cnccc23)c1=O 611915985 ASARDFZKQJNCAJ-UHFFFAOYSA-N 434.521 1.230 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cc(C#CCN)cs1 703978907 UXAMYWRGGQZEPQ-UHFFFAOYSA-N 445.566 1.800 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC(C)C)n(C3CC3)c2=O)cn1 735069393 UBNGASSAQZEQJA-UHFFFAOYSA-N 443.573 1.286 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c1 737990784 NYBXIYNVMJXPTO-UHFFFAOYSA-N 439.537 1.880 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H]1CCOc2ccccc21 742144677 SAQRYXVARUQDDH-SFHVURJKSA-N 433.489 1.680 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 746152094 FHEKGEWQFRCORM-VHEBQXMUSA-N 432.864 1.667 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCCO2)cn1 756085201 SUTFKGUEMHISFM-OXQOHEQNSA-N 436.582 1.472 30 10 IDEE C=CC[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 756671730 JKCPGZVHPXIUKG-SJORKVTESA-N 430.530 1.776 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 758082068 APQUWFDETQDCRY-QFBILLFUSA-N 445.548 1.389 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)n(C)c1 763719101 VASBTAHCXQDHTO-UHFFFAOYSA-N 427.490 1.760 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)N[C@@]2(CC(C)(C)OC2(C)C)C1=O 765084378 ZAJCVDKPYJHAIX-SZNDQCEHSA-N 427.509 1.084 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cc1 766421047 UMQWLHODVMXOFH-SFHVURJKSA-N 426.546 1.985 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1 768421721 NRWNMTOTXVQBTH-INIZCTEOSA-N 429.550 1.323 30 10 IDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771537579 ASUJZPJAWRCFAE-INIZCTEOSA-N 427.534 1.615 30 10 IDEE CCc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782671545 NPWQDLQCJYIXOB-UHFFFAOYSA-N 440.326 1.984 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccsc3)c2=O)cn1 790427671 JPZJEVJJLPXKHE-UHFFFAOYSA-N 441.582 1.842 30 10 IDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cc2)CC1 790875269 JUNIPDPJLKCZSZ-UHFFFAOYSA-N 430.505 1.985 30 10 IDEE O=C(OCC#Cc1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 791240553 BZLLKPOVKWOHNM-QGZVFWFLSA-N 438.299 1.683 30 10 IDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 813984779 AMJGBWJUAHVWMS-MRXNPFEDSA-N 430.461 1.379 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 816290386 YNLSZGIJQSKCLS-UHFFFAOYSA-N 426.926 1.569 30 10 IDEE Cc1cccc(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 916179458 PWJZPRLMIJEAPA-UHFFFAOYSA-N 447.538 1.773 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1CCN1CCOCC1 917769869 OMRCCPISEXRJFN-UHFFFAOYSA-N 432.505 1.529 30 10 IDEE C[C@](O)(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)c(Br)c1 1136672177 DLJYFMAYDKVRPK-IAOULYHDSA-N 426.242 1.438 30 10 IDEE C#CC[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1148871239 JBSVPDSRSFNNPG-YOEHRIQHSA-N 446.978 1.293 30 10 IDEE COCCOCCOCCN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1154357815 NCRFGQAOVJTAIJ-WUZYXKQASA-N 439.553 1.911 30 10 IDEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OCC 1158280932 MNQFJKSNDVFENA-QGZVFWFLSA-N 444.937 1.989 30 10 IDEE C#CC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC 1161365113 OWIFDRJVRDDUQF-PMACEKPBSA-N 444.484 1.622 30 10 IDEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)c1ccccc1 1163097006 OHCQJYHXDNNWKV-MOPGFXCFSA-N 428.510 1.719 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](Cc3cccc(OC)c3)C2)c1 1169249821 DWVNBAVSLGHKIZ-IBGZPJMESA-N 429.542 1.816 30 10 IDEE C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175427548 ORKIYGPGVNYEAT-FJIDUMEYSA-N 432.521 1.125 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1178552925 YJFRRMSPZDBGHN-ZIAGYGMSSA-N 439.559 1.120 30 10 IDEE Cc1ccc(C(=O)NCc2nnc3ccc(N(C)C)nn23)cc1B1OC(C)(C)C(C)(C)O1 1178855843 HGLVTTDEYOJTGP-UHFFFAOYSA-N 436.325 1.728 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1286288592 HZJXYYHFWGRIDD-CABCVRRESA-N 440.529 1.877 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286312721 ZBZIKKJTNBSRTL-UHFFFAOYSA-N 435.532 1.675 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286322011 CBSVFTYFBQMCIT-HLIPFELVSA-N 440.500 1.954 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)CC 1286453149 YBFTZKPKGIBCQM-UHFFFAOYSA-N 435.525 1.630 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)on1 1286459065 ABJOEKLFKMJZLR-UHFFFAOYSA-N 429.502 1.779 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)CC1 1286472883 WOQARYGJAVYIEN-JTSKRJEESA-N 429.496 1.464 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1286522330 IYGYZFQRKBXRRF-CNNODRBYSA-N 448.637 1.198 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286608608 SFOVRMJIDCKGFW-UONOGXRCSA-N 438.472 1.540 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286710692 AZYDEZXIPUDZDO-UHFFFAOYSA-N 433.520 1.865 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1286821767 UQLHLQCWVJONBZ-UHFFFAOYSA-N 427.571 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1C(C)(C)C 1286824645 GFZFMYDJUAXCGI-MRXNPFEDSA-N 439.582 1.004 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1299225942 IDUPGWQZHLMTIO-UHFFFAOYSA-N 442.520 1.233 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 1299885295 DCPNYXJGCKRQLL-JKSUJKDBSA-N 434.562 1.800 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1300287239 WMEZHGHGJSDXML-HOTGVXAUSA-N 440.533 1.204 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1300307361 FPKPIXDLXCOZQQ-INIZCTEOSA-N 443.577 1.487 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[S@@](=O)CC)c1 1300333103 VTHUGYGFHOHEDQ-HKBQPEDESA-N 439.545 1.503 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1300531610 DFWWIOHACPKQEZ-UHFFFAOYSA-N 436.497 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H]2C)CC1 1300710820 MJBVQYAKCSZNEK-PKOBYXMFSA-N 426.565 1.916 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 1301670952 CUOFCLKOOAONNV-PGRDOPGGSA-N 427.553 1.903 30 10 IDEE COCCN(C)CCCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301719166 NSGXKWDPYSKIPY-UHFFFAOYSA-N 427.553 1.980 30 10 IDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1=O 1302585129 DVGQKZYUWXZUAR-AZUAARDMSA-N 427.524 1.679 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1304148475 KLNJHVYCBJXLKS-HUUCEWRRSA-N 435.525 1.430 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCO[C@H]1C 1305530632 CBYRBJBJLBTWIK-ACTFIFLWSA-N 440.552 1.708 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1306242430 BTQQCJUCHFRTJY-KRWDZBQOSA-N 433.472 1.555 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N 1307991110 JDRLILUMLDDGQY-HUUCEWRRSA-N 439.559 1.539 30 10 IDEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316009648 JFDLIVXHHOILGY-UHFFFAOYSA-N 443.556 1.083 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2C)n(C[C@@H]2CCCO2)c1=O 1319457446 PBTWAKMBHRSVPD-SFHVURJKSA-N 448.548 2.000 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1320064472 XJTSPZWMANKKQY-MRXNPFEDSA-N 438.550 1.582 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1 1358968455 MGZQTTHAVGHKSQ-UHFFFAOYSA-N 428.537 1.889 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCN(C)C1 1359022960 SJOADHMNFBQWHO-QHCPKHFHSA-N 435.532 1.283 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359302219 ZPGXAXDYVCPAPT-NVXWUHKLSA-N 447.923 1.185 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1359321232 CEGDCSLQYNAQQT-DLBZAZTESA-N 449.552 1.857 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1359332698 DVLBXZZCDSAGLR-SFHVURJKSA-N 448.593 1.983 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359334527 IXFXGKRJTKGGCE-SFHVURJKSA-N 445.589 1.721 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)CC1 1359334955 VUWQMQSFHUNLIY-UHFFFAOYSA-N 449.625 1.519 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccoc1 1359560815 IPGBUJJWICSFLI-DLBZAZTESA-N 444.492 1.957 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(C)CC1 1360688760 QAZWBCCIWYYISX-ZDUSSCGKSA-N 445.549 1.613 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccn(-c4cccc(Br)c4)n3)C[C@H]1CS(=O)(=O)C2 1439618771 YYSMKUHWMONAIB-SJCJKPOMSA-N 435.303 1.645 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1449492714 CVYVNCVJHITFPX-UHFFFAOYSA-N 445.566 1.817 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1 1455115349 OJWLRFCHLUYXCE-UHFFFAOYSA-N 449.964 1.875 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1470738019 GMPOCIGVOHJMDV-HNNXBMFYSA-N 428.470 1.837 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1503256578 ADLRFIKXMMBBEG-UHFFFAOYSA-N 444.561 1.556 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1507653695 QMIHVYKQIMNBPE-FQEVSTJZSA-N 431.606 1.909 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2OC)CC1 1507715495 BWGGIISOBLKCDK-UHFFFAOYSA-N 442.951 1.980 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1507733458 ZICRNXPQCKEVIA-UHFFFAOYSA-N 428.512 1.447 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@@]1(OCC)CCOC1 1507847688 BZCPDWPJBKHEPT-WIYYLYMNSA-N 431.541 1.956 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1507980366 GHQFVPNQHCRIPZ-INIZCTEOSA-N 438.575 1.666 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1 1507981120 IYRIRGNIBKVRJZ-IEBWSBKVSA-N 448.593 1.758 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1507981241 HHPDDRAPUQODOA-OAHLLOKOSA-N 442.545 1.732 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508073129 IYDGCEMFRKFKCI-HZPDHXFCSA-N 436.557 1.824 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508080476 PDGPBHQQEAJZDN-INIZCTEOSA-N 444.540 1.426 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)C)CC1 1508083717 ANCYTVXLRALDMQ-UHFFFAOYSA-N 436.564 1.739 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)cc1 1508100321 IREOSQWFIFUDLF-SFHVURJKSA-N 439.520 1.304 30 10 IDEE CC(C)NC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1508420846 DMGUGKQJZWJTKG-AWEZNQCLSA-N 432.554 1.359 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1512372024 WSZQJYCDBORFPX-RADWXHQJSA-N 440.552 1.913 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1515291802 VRZIYRVEJPZPCZ-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1516716779 OUGVDJIKUCBDJY-UHFFFAOYSA-N 426.521 1.962 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 1517927422 CHSFHHKODILCMM-AEFFLSMTSA-N 436.491 1.616 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1529831845 YDPPAALLTWGECG-MRXNPFEDSA-N 429.292 1.116 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539210586 CUJDMLAFAYQDSP-QZTJIDSGSA-N 431.562 1.815 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1539325392 HZUBNDGUVAYHJF-LJQANCHMSA-N 431.606 1.908 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)F)CC1 1539445926 KPSWVVOICGTHBN-INIZCTEOSA-N 430.459 1.634 30 10 IDEE CN(C(=O)c1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1)C1CCOCC1 1540739423 FFTRLOFREQIPEE-UHFFFAOYSA-N 425.445 1.100 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540866692 WWWPAXHOOBPNSZ-AWEZNQCLSA-N 446.895 1.550 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1540872868 CYBJTMRBOWOTFO-UHFFFAOYSA-N 441.536 1.481 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1540897195 CTPUGLSFWYNKAO-DLBZAZTESA-N 438.598 1.034 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 1540897868 USNTXDADFBZOKY-UHFFFAOYSA-N 427.571 1.411 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1540899815 BAPMAQSZERAJLX-GOSISDBHSA-N 442.545 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C(=O)OC)C1 1540900168 MVNYXXLOOPDBDW-OAHLLOKOSA-N 448.501 1.274 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1541275913 KIHVXZDANHDCIE-FQEVSTJZSA-N 437.548 1.500 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CC1 1541674389 YFZXIZRVRKTLNO-UHFFFAOYSA-N 427.484 1.279 30 10 IDEE CCOc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1547940665 BYHOFJXQKIUSAE-CVEARBPZSA-N 426.477 1.414 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)C)cc1 1554896595 DWQDRWSIWGPGKH-IBGZPJMESA-N 426.521 1.573 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3c[nH]nc3I)C2=O)cc1 1556172242 SGDPHVYBYJFWRU-CYBMUJFWSA-N 435.225 1.811 30 10 IDEE C#CCNC(=O)C1CCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1559784790 GUUWAHFQZVZQMG-IBGZPJMESA-N 437.462 1.628 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)nc2C1 1565629642 FEXCGWKDVYLITB-CZIZESTLSA-N 441.488 1.631 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1cc[nH]n1 1584562460 KOHUNWBTSROMFU-OAHLLOKOSA-N 449.508 1.742 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)C(C)(C)C 1588173603 FVDGZIZOAOTPKQ-SSEXGKCCSA-N 426.546 1.936 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(CCC)C2)CC1 1588884760 MXCSQYFYRCGXEE-GOSISDBHSA-N 443.596 1.114 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCc2cnn(C)c2)CC1 1588954764 LIDWEBSXKLTCSH-UHFFFAOYSA-N 446.559 1.596 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1594812726 JGJFNSNPYGYIMN-AEFFLSMTSA-N 431.541 1.949 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1594948321 DYZPHZOOVJNVCQ-LUKYLMHMSA-N 446.552 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595506837 NVVRELNXAOCJJN-XJKSGUPXSA-N 444.923 1.624 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1595523177 QXUJHFREEDNHNT-QGZVFWFLSA-N 425.537 1.332 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1595545491 XWNCUNGKWZLYHP-INIZCTEOSA-N 448.568 1.968 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1595577355 QGQZPMLJRQGURH-QGZVFWFLSA-N 426.521 1.560 30 10 IDEE CC(C)c1nnc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1598486028 OVXFJLDCKDTFFM-SFEXGQDGSA-N 443.552 1.085 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1611301860 BSXSUYNSEHZDOE-PBHICJAKSA-N 427.484 1.466 30 10 IDEE CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1 1615887681 IFNLYXDNNHBJBS-JOCHJYFZSA-N 430.601 1.574 30 10 IDEE CO[C@](C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)C1CC1 1618922092 GABBQYMOSLBLHZ-IDHHARJASA-N 440.570 1.164 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1619780965 LGLSBDSNNDWKKK-XMSQKQJNSA-N 441.536 1.510 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC(OCC(N)=O)CC1 1620508762 AUTCQMHKUZWNGR-HXUWFJFHSA-N 442.516 1.885 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]([C@H]3CCCO3)C3(CO)CCC3)C2=O)cc1 1627657435 XUFWZMHLOLSPJD-GGPKGHCWSA-N 440.500 1.590 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1627800436 UIGZZEJERGUBDI-MSOLQXFVSA-N 435.569 1.442 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1)C(=O)OC(C)(C)C 1628831250 UPSHLWOCJSADLE-RTBURBONSA-N 434.581 1.696 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1629659368 BDVCALFOLYXALS-UHFFFAOYSA-N 435.550 1.100 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1634011474 IWFCNKPKHJOHEY-UHFFFAOYSA-N 449.573 1.272 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1635555672 RFSIUWLDHRSRMG-CVEARBPZSA-N 428.555 1.600 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](O)[C@@H]1CCc1ccccc1)c1cc[nH]n1 1640092027 JWBYAGKYQFGYQK-OALUTQOASA-N 428.489 1.678 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)[C@H](C)O)cc1 1648719138 FWONTNUPIYFCMH-RBDMOPTHSA-N 442.541 1.502 30 10 IDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCOCCN2C(=O)c3ccccc3C2=O)C1=O 1651790056 TXUMOFNESKAOMR-HSZRJFAPSA-N 432.436 1.638 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2=O)cc1 1652154191 RRAYEWFBCRGJEA-LBPRGKRZSA-N 435.362 1.052 30 10 IDEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1 1652926131 QNXZOBCWFRJKON-UHFFFAOYSA-N 432.420 1.848 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)n[nH]2)c1C 1653806962 HEOGJGNZFXUISG-UHFFFAOYSA-N 433.534 1.496 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(-n3ccccc3=O)cc2F)c1 1654717573 ZPENEMXUAAKSTE-UHFFFAOYSA-N 426.429 1.765 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 1656288576 DUBVYVAJPVWCDQ-LJQANCHMSA-N 430.486 1.226 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCCOC3=O)CC2)CC1 1660381543 HZFBRECUUVYXRA-SFHVURJKSA-N 431.562 1.764 30 10 IDEE C#CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1667527932 KBXPWGYUYAZMBO-UHFFFAOYSA-N 444.598 1.749 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1671876665 CGDUAPUQHNBUKE-UHFFFAOYSA-N 436.516 1.759 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCn3cc(Br)ccc3=O)CC2)cn1 1686631825 GICZFGZJKNMHDP-UHFFFAOYSA-N 431.294 1.409 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CCC1 1689944495 SSXBRXSVTJMVRI-UHFFFAOYSA-N 449.964 1.898 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1689966613 XEDGTCCOWXBGNZ-MRXNPFEDSA-N 441.916 1.521 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1Cc1ccccc1 1690102916 XJABEYIVXMYARX-RTWAWAEBSA-N 436.560 1.980 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOCC)C1 1690246371 SZZLNBUWBDCIDN-RMJJICAUSA-N 433.553 1.842 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1690507224 HMXJKTYQNSTXKQ-IBGZPJMESA-N 432.569 1.371 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1691004118 OUYAHOPVBFVYKO-PBHICJAKSA-N 434.522 1.326 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1691452671 ZSEAHCIANXYXEP-UHFFFAOYSA-N 448.535 1.635 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCS1 1692536395 OINXKARWKOEJGD-QGZVFWFLSA-N 440.577 1.905 30 10 IDEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1F 1696609997 HPQMJOOFSLJSOX-HZPDHXFCSA-N 448.524 1.162 30 10 IDEE COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697970498 WCTCMJDELAOXMF-UHFFFAOYSA-N 438.536 1.534 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1698318410 YTCLOFNEDYIUDK-KRWDZBQOSA-N 444.561 1.761 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1NC(=O)CC1(C)C 1705489312 NBGSRCUXGNGZTK-GDBMZVCRSA-N 443.577 1.611 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC(C)(C)C1 1705503026 NEVGVNPHQBJRBM-INIZCTEOSA-N 430.578 1.838 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1705565937 KVDNRELHOFFSMP-LLYBFZRZSA-N 431.518 1.599 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1705566792 REEPCPXDEIJIDE-MRXNPFEDSA-N 445.545 1.989 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705569151 CSCVPYBANPRQMD-UULLZXFKSA-N 438.619 1.549 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1705569581 IIICPIGRZYAZFR-INIZCTEOSA-N 435.575 1.083 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1705582783 JOFCXAWHXRCAQS-INIZCTEOSA-N 428.514 1.319 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1705604358 KXJMSIAHFYGLGT-IEBWSBKVSA-N 432.594 1.959 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCn1cc(Br)cn1 1705626719 GQZZBSLMYJVHPT-UHFFFAOYSA-N 431.298 1.480 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705638527 NJZPVDPIQOSNBH-NRFANRHFSA-N 437.592 1.905 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCc2n[nH]c(C)n2)CC1 1705645686 ADDJYBVOKQRDTG-UHFFFAOYSA-N 432.532 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1705647420 DNOWPVDXUPFMPH-ZJBJCVSYSA-N 431.537 1.025 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705649345 UGTSLPAZMIIGCV-KSFYIVLOSA-N 427.553 1.442 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C 1705932551 GLWPLICDZYITHE-CQSZACIVSA-N 437.953 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2c(ccnc2O)C1 1705935188 JLJHHDFTSSXRKZ-UHFFFAOYSA-N 440.529 1.528 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1706036493 IDMRQEVAUSYUKS-CVDCTZTESA-N 437.548 1.236 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1706749640 ZRWBFVMQXMSZSK-KFWWJZLASA-N 425.484 1.324 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C)O1 1708233913 DDHJWVAWWPBIRD-IYBDPMFKSA-N 433.534 1.777 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)c1 1710327075 QTBFTSDNKTZWPW-VQIMIIECSA-N 442.520 1.529 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(NC(C)=O)cc1 1712565956 JLKCGXROJISATB-JXFKEZNVSA-N 442.520 1.932 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1nnc2n1CCCCC2 1712624978 PUEVMLCTHGPRJV-GJYPPUQNSA-N 428.541 1.964 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCS(C)(=O)=O)c1 1722307487 ORCZGFVPLYCUCK-UHFFFAOYSA-N 431.562 1.968 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722339068 QVTBVOJZGPKYAD-GOSISDBHSA-N 427.553 1.396 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1722367715 WYHVDDJMZWCDSK-IAGOWNOFSA-N 430.578 1.928 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722458949 YHTVRTXKLXPFHA-QGZVFWFLSA-N 448.593 1.900 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1722609369 WMSWIEADIINRBH-KRWDZBQOSA-N 446.577 1.817 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722619619 BSAIECSCJQXFDS-GOSISDBHSA-N 429.525 1.418 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCN(C)C1 1722681669 PRDBDVCZMLROCC-KNQAVFIVSA-N 429.521 1.496 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC=C 1722707516 RGNQCRMJNSGMMZ-IBGZPJMESA-N 447.561 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722727588 JXJNKBHTFQVWBI-INIZCTEOSA-N 427.571 1.792 30 10 IDEE CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1729434209 GEIXWOPWKFROOS-QFIPXVFZSA-N 435.488 1.961 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1730761565 YRDGZXCAGYILRA-UTKZUKDTSA-N 427.509 1.830 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)COC 1730955428 DFQRKFLWDCWUOO-WDSOQIARSA-N 432.569 1.851 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740621277 KRQICTYEEKDUGE-FGTMMUONSA-N 429.546 1.639 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1740623544 WKQYQWGLGFZLNL-QGZVFWFLSA-N 440.504 1.858 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCOCC2)CC1 1740700429 STTURZHOCJUQMQ-UHFFFAOYSA-N 441.532 1.162 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1740786634 KCNONLSGNBSZMW-UHFFFAOYSA-N 430.553 1.698 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1741094201 VLSKRXWUFPBEOF-HXUWFJFHSA-N 439.564 1.747 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1747704475 IFSGRTFFHNVJQD-QGZVFWFLSA-N 425.518 1.621 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1748751760 LLXCMVVBLWINPF-IRXDYDNUSA-N 448.568 1.818 30 10 IDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1748774174 VMHPUGFNGUQOMR-OAQYLSRUSA-N 425.514 1.421 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccn(CC)c1=O 1748791549 VNULEBHTXFOQIW-UHFFFAOYSA-N 432.532 1.751 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1748811599 IXMALCAKWLJVDJ-LJQANCHMSA-N 439.545 1.631 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748811871 MUTXOZBDPYEDMM-QZTJIDSGSA-N 443.577 1.236 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1748829859 LECCJPBEGBQKPX-VWLOTQADSA-N 447.539 1.726 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1748901496 ZPTNFWHCIXZCDV-BGYRXZFFSA-N 426.565 1.363 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1748994765 QBQNZLWTBDEXBF-XMMPIXPASA-N 436.560 1.305 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749133984 SLHGSCGPUPUGTA-LMMKCTJWSA-N 431.562 1.863 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749317567 SMMRGWBUDHFNCZ-SQNIBIBYSA-N 439.582 1.440 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749391693 QYCKXNDKVLXSNI-DZGCQCFKSA-N 439.542 1.514 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749670933 XKDULCZZXOVDEO-QZTJIDSGSA-N 430.553 1.217 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(N)=O)CC1 1749677627 GGSPIEPXABMPFW-UHFFFAOYSA-N 426.521 1.478 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1749739435 BOGIGVCZGCDCGM-UHFFFAOYSA-N 433.559 1.883 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCn1cccn1 1751191605 GHDUGFMVDYOHJM-INIZCTEOSA-N 442.549 1.683 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1760187168 ILLLQXWDORPWFY-DLBZAZTESA-N 426.608 1.942 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760207454 KCFSYNWCFJSUTD-JOCHJYFZSA-N 442.541 1.096 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCn1cc(CO)nn1 1760221416 VFDDCSHLBNEEGP-UHFFFAOYSA-N 443.515 1.154 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)N2CCOCC2)CC1 1760262769 ZWPXLDWQBJIDHE-IBGZPJMESA-N 442.995 1.998 30 10 IDEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760446621 XTBBHHGOTVLWES-LJQANCHMSA-N 438.532 1.247 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760518052 HAVZKMHUFHKRSB-RDJZCZTQSA-N 445.955 1.453 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760527723 GTHXBPASRJZYSS-AOMKIAJQSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760548819 QEPKHVDLBLSIHB-IAGOWNOFSA-N 437.566 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760553242 PCNZEHQSNAXQRU-HXUWFJFHSA-N 428.518 1.119 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1763102206 HKULZTORIJRWJV-MEUCICPISA-N 437.504 1.870 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCC(C#N)CC1 1768287954 XUORAENKXOGEFB-UHFFFAOYSA-N 437.595 1.703 30 10 IDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1770023017 GCSISSQUDNSPCV-KRWDZBQOSA-N 444.561 1.975 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nc(C)cs1 1770045411 ZSATYPDHFDXDNG-RDJZCZTQSA-N 431.566 1.992 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1770325971 AONKWWQGVMMJMR-MOPGFXCFSA-N 445.545 1.841 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC(F)(F)CO2)CCO1 1770751476 IUVPVLRLBMSWCA-CHWSQXEVSA-N 438.460 1.423 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)c1 1849673473 LCWPAOMLKFKRKS-FQEVSTJZSA-N 439.541 1.764 30 10 IDEE O=C(NCC#CCN1CCOCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1850069305 MSSSKEZAMBMSAO-SFHVURJKSA-N 443.928 1.084 30 10 IDEE C=CCN(C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)cc1)[C@@H]1CCN(C)C1=O 1850771508 BZAYDHIYKJUOAW-JOCHJYFZSA-N 426.561 1.847 30 10 IDEE C#CC[C@H](C)C(=O)N=c1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2[nH]1 1852608758 JWDUFJJTWAJUJX-INIZCTEOSA-N 436.491 1.825 30 10 IDEE Cc1ccc(C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1C#N 1854455423 SQIUBHMXSYMTBV-QGZVFWFLSA-N 429.542 1.899 30 10 IDEE CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856738700 NAJYZKCCSNTCRT-SJORKVTESA-N 426.539 1.162 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CCCCO2)CC1 1857371970 FTGCAUVHXNOBPX-IBGZPJMESA-N 431.514 1.986 30 10 IDEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870151437 WOVSWWDVKBJQMI-CYBMUJFWSA-N 434.387 1.968 30 10 IDEE C=CCn1cc(OCc2ccc(C(=O)OC(C)C)cc2)c(=O)cc1CN(CCO)CCO 1870326317 KPJMEUYNFSQJQU-UHFFFAOYSA-N 444.528 1.965 30 10 IDEE COc1ccccc1/C=N/Nc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873527231 QLBZVZZSOBEMAQ-VGTRTNLYSA-N 441.307 1.820 30 10 IDEE CN(C)CC#C[C@@H]1CCCN1C(=O)C1CN(c2nc3ccc(S(C)(=O)=O)cc3s2)C1 1890093023 GCEKFXXKTDLYSJ-MRXNPFEDSA-N 446.598 1.692 30 10 IDEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)NCCN4CCC(C#N)CC4)C3)sc2c1 1890803505 KOXSQDWWPVAYGR-UHFFFAOYSA-N 447.586 1.488 30 10 IDEE N#Cc1cc(I)c(S(N)(=O)=O)c(I)c1 2055360732 JTSPHOXJOHDZBF-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2255711755 CYINTOPWDZZCON-HNNXBMFYSA-N 437.346 1.614 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255830165 BAAVOBWOPFAHPQ-UHFFFAOYSA-N 432.330 1.792 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC[C@@H]1NC(=O)C(F)(F)F 2255864142 RTTFFOXQIBRBDW-AAEUAGOBSA-N 429.248 1.843 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2267189143 WFOVGGNMGUPUTH-RTBURBONSA-N 436.365 1.923 30 10 IDEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267265128 AVVLMLJGSSYUAN-KRWDZBQOSA-N 439.369 1.851 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1 2268628219 DYZNRWXAYDEZRN-GOEBONIOSA-N 447.341 1.937 30 10 IDEE COc1ccc(NC=C2C(=O)Oc3ccccc3C2=O)cc1-n1nnnc1-n1cccn1 2297628950 BQFVIDZFWJAOLK-UHFFFAOYSA-N 429.396 1.954 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2303308161 MKQBLRCHXGANOX-UFYCRDLUSA-N 427.549 1.820 30 10 IDEE C=CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OC)ccc21 13794830 DINRIELZCLNQJR-DNTCVELPSA-N 437.543 1.917 30 10 IDEE CCN(Cc1ccccc1)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 29193726 IHKRKWKLLWUKHR-UHFFFAOYSA-N 426.542 1.913 30 10 IDEE C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O 299817487 FKKSXNLVJJDMAR-UQUDXHCESA-N 448.512 1.517 30 10 IDEE C=CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 448378064 XASXOWFCTKAUKT-OAHLLOKOSA-N 437.518 1.281 30 10 IDEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CCOC)C(=O)C1 460735904 NSMWTSIYRNIJNQ-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 466760545 JWIVJHAUFXOSMQ-QAPCUYQASA-N 429.521 1.487 30 10 IDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCn3c(CO)nnc3C1)CCCC2 471016264 CQDKCBVFSKDVJO-UHFFFAOYSA-N 431.500 1.766 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478752051 CJCLWKFFPSVKQK-HOTGVXAUSA-N 444.578 1.958 30 10 IDEE N#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCC1 481774424 GEKILQNUVWOVSS-UHFFFAOYSA-N 436.509 1.391 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)C2=O)cc1 486924314 JKQFXMGBTCJWBC-FQEVSTJZSA-N 449.515 1.736 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cn2)CC1 487826365 XALCUDVYWUHIIX-FQEVSTJZSA-N 435.532 1.853 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1C[C@H]1CCCO1 514330109 UUGOJLBRYLOTJD-DJIMGWMZSA-N 441.553 1.834 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(c2ncccc2C#N)CC1 514916246 ZGDUXEADPWYREK-UHFFFAOYSA-N 428.518 1.235 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)CC1 524519354 LPVAKMFQJVPZLM-SFHVURJKSA-N 446.571 1.268 30 10 IDEE CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cc1 531684734 ZVSGAFKBZBCRFP-UHFFFAOYSA-N 448.504 1.777 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)CC1 531930432 MGORUUNDKWHMNU-UHFFFAOYSA-N 442.589 1.895 30 10 IDEE COC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 538211301 SWVHOJHIZBLACU-FQEVSTJZSA-N 442.541 1.368 30 10 IDEE CC(C)(C)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1O 541617234 BAXJYUAPEOVTHH-RBUKOAKNSA-N 448.589 1.120 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CC1 542216757 QQXFDPIUGQZQGW-UHFFFAOYSA-N 437.550 1.617 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1=O 544013540 LPDZVTNJSBTYDL-GOSISDBHSA-N 443.529 1.419 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 559002950 SXDAWRUCZRNSGF-ZWKOTPCHSA-N 439.582 1.773 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCN2C1=O 610776835 GEXYKOJABBLNBS-GOSISDBHSA-N 447.451 1.784 30 10 IDEE Cc1nc([C@@H]2COCCN2C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)no1 615412656 CIHMINVBTOOLLD-HNNXBMFYSA-N 425.380 1.113 30 10 IDEE O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 727369484 GEYDFRQKXMEERF-OAHLLOKOSA-N 430.511 1.265 30 10 IDEE C#CCN(C(=O)CS(=O)(=O)Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 729335465 PIUHJQPQBHLNPV-OAHLLOKOSA-N 448.360 1.013 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cn1cnc2c(cnn2C)c1=O 731070641 JBKBXDZCXVTHIQ-CYBMUJFWSA-N 440.485 1.706 30 10 IDEE N#C[C@@H]1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CCN1C1CC1 732651052 RSTDQPQOGHDSGG-OAHLLOKOSA-N 430.306 1.748 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 733041324 BZNVQLVOANLFLI-UHFFFAOYSA-N 442.492 1.049 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 733150533 MIWHLNGKXQYWIW-UHFFFAOYSA-N 439.585 1.796 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3F)c2=O)cn1 735069548 VWCDCKOGQBLQHB-UHFFFAOYSA-N 439.516 1.672 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC#Cc2ccc(Cl)cc2)s1 750889633 GFZJYNPVMVCGEB-UHFFFAOYSA-N 440.930 1.911 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(C2CCC2)n1C 764353507 IZGGSUSBPUKSFI-INIZCTEOSA-N 444.561 1.852 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2cnccn2)C1=O 774581187 LZDHPOFVAGIJEA-SFHVURJKSA-N 444.536 1.858 30 10 IDEE C#CCN(C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)[C@H]1CCS(=O)(=O)C1 787146076 XKEQEPFKZVCEHR-CABCVRRESA-N 436.534 1.397 30 10 IDEE COC(=O)C(C(=O)CN1C(=O)c2c(F)cccc2S1(=O)=O)=C1Nc2ccccc2N1 799313367 XLWCOEMICIIBJC-UHFFFAOYSA-N 431.401 1.462 30 10 IDEE CCOc1ccccc1CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 799584550 GVEGXBJXZDHATI-BFQBXFRASA-N 441.532 1.827 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 812178359 DUYIFKYITUYTJZ-HOTGVXAUSA-N 436.557 1.981 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1CCCO1 812310914 RUVSFXBXYXKZEW-FPOVZHCZSA-N 436.560 1.873 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@@H](C)c1cccs1 813564508 DCMIRXWIWRKRJU-QMYVEOQRSA-N 439.607 1.312 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC[C@H](C)F)C1=O 814708142 CVOZUJKQJCTWRL-IMFCLCRHSA-N 430.527 1.018 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 857758682 KBWWXRPHLRQJIM-INIZCTEOSA-N 438.550 1.560 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)ccc1Cl 916179228 SAYSKZOCXXNTGY-UHFFFAOYSA-N 441.918 1.722 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1OCC 921045402 UYUBUBXURJXCHX-QGZVFWFLSA-N 425.510 1.913 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2coc(S(C)(=O)=O)c2)cc1 1125203521 YEMPQZIFCBROSZ-CYVLTUHYSA-N 425.488 1.748 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1135786095 QAJXKVWGHUZQNR-UTCJRWHESA-N 426.473 1.822 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N(CCC#N)CC3CC3)CS(=O)(=O)[C@H]2C1 1136680519 LITJWVDKXJTZBZ-BBWFWOEESA-N 425.551 1.809 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccnc(C#N)c2)CC1 1139856201 PLFGGDMSRZRYHB-UHFFFAOYSA-N 442.497 1.457 30 10 IDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1140626344 FHVDBIUXKCGCOX-SFHVURJKSA-N 438.546 1.707 30 10 IDEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCN(O)C1=O 1141463472 MXQZVHQKRQGOIZ-UKRRQHHQSA-N 447.351 1.539 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)/C=C\C(=O)c2ccc(C)cc2)c1 1144418304 YCIHJDBZDNQAOH-QYMJWVLRSA-N 429.498 1.785 30 10 IDEE C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175427549 ORKIYGPGVNYEAT-XDNAFOTISA-N 432.521 1.125 30 10 IDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCO[C@@H](c3ccc(C#N)cc3)C1)C2=O 1198220120 XOVUXXXUFFHIDD-GXPWMBGSSA-N 425.489 1.463 30 10 IDEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1255157306 SYPQHHNXDVSJNM-QGZVFWFLSA-N 449.529 1.285 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2sccc2n1 1286343962 XFBYYJOMMYBLAL-LBPRGKRZSA-N 449.562 1.648 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN2CCCO)CC1 1286486544 ODJGVUKNOMGWIN-IBGZPJMESA-N 430.597 1.388 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1286716751 LJKUMHQJFWINHU-JOCHJYFZSA-N 428.537 1.832 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286778959 BZLRKERDACMMPK-AWEZNQCLSA-N 447.337 1.712 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)OC(C)(C)C1 1286789488 DYBFLBFCQIFWJV-UHFFFAOYSA-N 446.577 1.966 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)N(C)C)C1 1286807708 FPYSGIMXMFVYMU-DLBZAZTESA-N 437.548 1.923 30 10 IDEE C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1288608097 VJJKKQMYMKJQQO-QAPCUYQASA-N 427.465 1.303 30 10 IDEE Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1289642750 CXPDBPMUYUGCPW-ZJYNUGOYSA-N 426.477 1.846 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3([C@@H]4CCCCO4)CCOCC3)CC2)cc1 1290637100 JLRBIONSJFGXPM-FQEVSTJZSA-N 447.557 1.757 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(=O)OC)CC1 1300440919 BELIFHAYCPRISO-UHFFFAOYSA-N 445.545 1.896 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300497636 BOMUDOIHHAKCBN-LJQANCHMSA-N 443.573 1.707 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1300577891 DVQDCFUGWPFYQO-IBGZPJMESA-N 439.541 1.650 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2csc(C)n2)CC1 1300726476 OKFMKQXKSZZGFW-QGZVFWFLSA-N 428.562 1.755 30 10 IDEE Cc1ccc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1S(=O)(=O)NCC#N 1300781666 DBEKHPZBKAPHSQ-UHFFFAOYSA-N 448.545 1.926 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301174135 MXPOKQNJHGQGFT-UKRRQHHQSA-N 439.542 1.514 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1301272241 DPHSQJUVJMHDMO-KRWDZBQOSA-N 448.593 1.704 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C)C1CC1 1301327232 OPENYIKAJFSBQN-SJORKVTESA-N 441.598 1.827 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N(C)C 1301973405 FROOUUCSRVTVFK-HNNXBMFYSA-N 430.538 1.004 30 10 IDEE CS(=O)(=O)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1302469568 QVPUWPMWKCHAGV-QGZVFWFLSA-N 425.555 1.711 30 10 IDEE Cc1nccn1CCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1304707658 NRCVMMUWXQNETA-NQIIRXRSSA-N 429.525 1.643 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(S(C)(=O)=O)CCC1 1306192395 BDAWTHMQRNLLNH-UHFFFAOYSA-N 446.581 1.048 30 10 IDEE Cn1cc([C@@H](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C2(CO)CCC2)cn1 1307800498 IERMFTIWPXFWLH-WIYYLYMNSA-N 442.589 1.684 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313481001 INPHVTWBWPYSEM-GOSISDBHSA-N 439.520 1.971 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1313491291 DNKDJQVNGMBKIM-QGZVFWFLSA-N 442.520 1.996 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCOCC4(CC4)C3)n2CCOCCCO)cc1 1316533519 SSLSVQGKIKVSAW-UHFFFAOYSA-N 427.505 1.745 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3ccccc3C#N)CC(=O)N2C(C)(C)C)cn1 1321088393 GNONWFXYIBJFSF-CRAIPNDOSA-N 429.502 1.485 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCN(CC)CC1 1358880589 OZDNDIZHGCTGQM-OALUTQOASA-N 448.579 1.405 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1358889509 CNCTWBQKPJWPAM-JKSUJKDBSA-N 434.541 1.523 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1358949022 RBIHPCRRIHMESO-HKUYNNGSSA-N 447.561 1.456 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCSCC2)CC1 1359030958 LIMPMOHCXSDAMU-JOCHJYFZSA-N 448.637 1.123 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCC=C)CC1 1359032300 JVBNEPKQMFUJOO-UHFFFAOYSA-N 428.924 1.665 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359044166 XQNNWVCLADFZAQ-KRWDZBQOSA-N 444.561 1.206 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCS(C)(=O)=O)C1CC1 1359096372 ALYCUBAIWGDSJO-ZVZYQTTQSA-N 437.566 1.224 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359207168 BHWUXAKPCDJLIU-MJGOQNOKSA-N 431.585 1.371 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359286565 BIAYKVJJKSAWSW-CQSZACIVSA-N 446.508 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359326574 DEGZSMVXXWXKIF-OAHLLOKOSA-N 448.549 1.387 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCOc1ncccn1 1469573831 MAULUONGRWZHRF-MRXNPFEDSA-N 431.518 1.515 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1469764021 DZCIJJKSNGZUGE-IRXDYDNUSA-N 436.472 1.871 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1470956707 LZSQINLRDKCPSM-MRXNPFEDSA-N 438.506 1.348 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F 1475467726 TXIRQNWTQPVWDZ-UHFFFAOYSA-N 448.538 1.943 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503542492 LTORECFMNXLVNB-VXAPJYQHSA-N 430.509 1.314 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1505323477 YKEPBBSPTZMVMM-IEBWSBKVSA-N 442.495 1.399 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507626219 DMLBGMJHTOAJBK-SJLPKXTDSA-N 431.562 1.958 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1507631749 SVJYJZIYMNGATF-UWJYYQICSA-N 432.546 1.900 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CN(CC(C)C)CCO1 1507687515 PSYJNTXEUZXPFY-KRWDZBQOSA-N 428.537 1.822 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(CO)c2)CC1 1507721159 ZHNDGBDAIUAPAV-DEOSSOPVSA-N 439.560 1.615 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507749892 AQMNSCBZWYBXAJ-IRXDYDNUSA-N 445.593 1.413 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507753177 KKCGSTWEGGHQEK-NRFANRHFSA-N 443.577 1.252 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507755736 CKJKQXOEVUVZPP-KRWDZBQOSA-N 426.546 1.746 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1507808290 YAWUETHKCSYXKD-SIKLNZKXSA-N 440.548 1.540 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CN(C)C2=O)C1 1508118145 WUTJWZLDZVHYRC-YHYVQYDKSA-N 433.553 1.578 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)C1 1508123755 JSIJDRIPGFCFAP-IEBWSBKVSA-N 437.610 1.836 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1513573546 MZJYDCAWZUIITJ-OAQYLSRUSA-N 447.561 1.883 30 10 IDEE CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1521636666 GHPXUQKETHZSET-MOPGFXCFSA-N 433.530 1.807 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)[C@@]2(C#N)CCCOC2)C(F)(F)F)CC1 1523876982 DERZWUHAOBLDTR-RDTXWAMCSA-N 434.459 1.907 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCCCCNC(=O)CC3)C2=O)cc1 1534727988 BEZUWMVXXWDPIM-GOSISDBHSA-N 425.489 1.672 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1539117752 WNFLSJVMJDEBDS-PBHICJAKSA-N 430.534 1.487 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C 1539238269 UTKFZPOYCLZBLC-MRXNPFEDSA-N 427.578 1.570 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccnc1-n1cccn1 1539417370 FUYAOLRMHSIAGI-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1539491813 WQGRXFAVOCMDON-MRXNPFEDSA-N 442.593 1.704 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1540074630 ZZQBIHNTJRWRGT-ROUUACIJSA-N 449.577 1.777 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1540862545 DKNSWEDOZOJYCY-UHFFFAOYSA-N 428.541 1.527 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1541803167 DJDXKRUSVUQGBV-QAPCUYQASA-N 446.533 1.564 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)n[nH]2)c1C 1545221181 LJYXMIAYXXLSRK-QKKBWIMNSA-N 425.493 1.526 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCS(=O)(=O)CC1 1555061044 GUMSHZRCJXSRQD-INIZCTEOSA-N 447.561 1.413 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1555345827 DBSRNNDMHWZMNB-KRWDZBQOSA-N 432.550 1.571 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCCO)C1 1555985335 NAHVINMMAKIHGY-OAQYLSRUSA-N 425.468 1.972 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(CC(F)(F)CO)CC3)CC2=O)cc1Cl 1557265921 HINRXMLCPHTSKP-AWEZNQCLSA-N 426.851 1.336 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1 1557568698 XUTURBBJXSKEGV-UHFFFAOYSA-N 441.556 1.058 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)C2)c(=O)nc1O 1558806541 SNEGGIYCZVRJDB-UHFFFAOYSA-N 438.371 1.189 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)C1=O 1558875921 SGEHDTDLWVVUMZ-INIZCTEOSA-N 433.770 1.183 30 10 IDEE CC(C)(C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1)C(N)=O 1564688859 BARONTWEECPTOV-OALUTQOASA-N 425.533 1.982 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1567388055 NTPVUFPNCLVOEX-PDSXEYIOSA-N 438.525 1.624 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1568898163 NOYOXJUCYHGNLH-VXGBXAGGSA-N 429.461 1.232 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3ccc(CC#N)cc3)CC2)c1 1584779781 OPMUQOFGPRCBDO-UHFFFAOYSA-N 426.542 1.829 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1585387063 ZOQNVXZCZGZAOU-FZKQIMNGSA-N 433.511 1.011 30 10 IDEE CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H](Cc2ccccc2)C1 1585456918 KYJCYGABGKIQRU-HXUWFJFHSA-N 426.542 1.877 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1587586099 QVEYNLWAKOATRG-QFIPXVFZSA-N 448.479 1.415 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1588051022 ZNLYYWPSSFZSSX-AWEZNQCLSA-N 440.476 1.034 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1588064864 QJMIAJPIYASSGD-OALUTQOASA-N 429.546 1.317 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588228389 FFJYQARYPUOENY-ZWKOTPCHSA-N 439.482 1.898 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1589394360 DFNXJTWSSGDMQY-CQSZACIVSA-N 433.310 1.873 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1594004120 UNFOJLRYUWXYLW-DLBZAZTESA-N 440.976 1.545 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnnn2C)CC1 1594097069 LOIUNCWBSVMSDF-KRWDZBQOSA-N 444.540 1.920 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595477693 XREVWYODHKZVIK-OYHNWAKOSA-N 442.495 1.576 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1595551342 OXKRSEKCXSAZOR-KZNAEPCWSA-N 447.536 1.424 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2CCCO2)CC1 1595569676 MYRPNRLEBUEDHH-IBGZPJMESA-N 427.553 1.837 30 10 IDEE CCOC(=O)N[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CC(C)C 1595583686 WNTOTRHWEGQHGZ-HNNXBMFYSA-N 438.550 1.782 30 10 IDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1595800041 GFPDNZQUDKWACD-QGZVFWFLSA-N 436.530 1.419 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1598090201 OSYUXXFTCUTLQM-JOCHJYFZSA-N 426.521 1.831 30 10 IDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCOCCS(C)(=O)=O 1612583587 ZARCAWXETJCQIF-HXUWFJFHSA-N 431.562 1.979 30 10 IDEE CN(CCC(F)F)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1618163995 RNTDKTYAVPDAPV-VHEBQXMUSA-N 431.447 1.882 30 10 IDEE COC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCC1 1619045513 BOAYHSVIISNCIR-CVEARBPZSA-N 440.570 1.309 30 10 IDEE CC(C)[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)N(C)Cc1nnc2n1CCC2 1626682090 XAWUYABPQQJYNL-ZBWUASRJSA-N 427.480 1.745 30 10 IDEE CN1C(=O)NCC12CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2 1627154183 KASOOEVDZUXQSX-TZQQIIETSA-N 431.537 1.789 30 10 IDEE CN(C)CCn1c(O)nc2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 1638203404 PAMARPBHAGELQZ-RDJZCZTQSA-N 442.520 1.792 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1641840081 XRQVYZIZRZSKQG-JKSUJKDBSA-N 428.938 1.956 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)OC1(C)C 1643827206 BLHNLURREFEDOE-GOEBONIOSA-N 440.371 1.107 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC2(CCOCC2)CC[C@@H]1CO 1646102144 HPRITUXMEJHBRD-MRXNPFEDSA-N 435.546 1.285 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648029000 VDEPUDJTDBPALF-KRWDZBQOSA-N 439.472 1.340 30 10 IDEE CC1(C)OB(C2CCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)OC1(C)C 1651188633 QVIKBAQYPFBIMR-UHFFFAOYSA-N 441.334 1.970 30 10 IDEE CC(C)(CC#N)CS(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1660819985 BDGIOPLKXMOYRY-MRXNPFEDSA-N 429.564 1.503 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)nn2)C1 1675450306 MJBVHQRTYVJQSN-KRWDZBQOSA-N 437.504 1.908 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 1675454791 PGHMCKPWVOGTKF-NRFANRHFSA-N 427.549 1.244 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1689848665 ZIVSDROZKXZUHU-XDHUDOTRSA-N 449.559 1.590 30 10 IDEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1689878698 RWXDTSLMCZKOEZ-MRXNPFEDSA-N 449.353 1.801 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690041746 GVGRLDAWSYZSCW-NRFANRHFSA-N 433.560 1.746 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nccn2C(F)F)CC1 1690110387 KERSITIBLYVKAG-UHFFFAOYSA-N 441.446 1.321 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690673741 CFAPMUJUKLGDCK-KRWDZBQOSA-N 443.596 1.102 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690676175 RWDXENXCWRJIJS-JPYJTQIMSA-N 441.532 1.852 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693822626 CHPVBFDFJXQKAP-ORIGZDJFSA-N 428.518 1.682 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1 1705551325 LRWNZIYQKNAOCH-DAWZGUTISA-N 439.582 1.276 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705571584 BVBMWQXZBSMLHW-HXUWFJFHSA-N 448.527 1.655 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1705588333 CIYDGRIILSXSJX-SFHVURJKSA-N 434.610 1.473 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CC1 1705638917 BEVMCIHAPOBVNZ-GOSISDBHSA-N 435.594 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)C1 1705931353 NGCWIXWOONNIKH-OAHLLOKOSA-N 438.575 1.796 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccco2)CCOC1 1706679574 KQBZQEUFFIWPTL-TYCQWZJGSA-N 431.493 1.548 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC1CCCC1 1706871199 NQVWDMWTBUYCJV-KDOFPFPSSA-N 428.534 1.680 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(F)c1F 1706889276 FEEBBQXCJRLZCV-TZMCWYRMSA-N 440.476 1.138 30 10 IDEE CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709676442 METCSLZOSXJAME-GOSISDBHSA-N 438.536 1.639 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C[C@@H]1C 1711479147 GFUVNBQMKIRIMN-INIZCTEOSA-N 440.504 1.921 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC[C@@H]1C 1712070884 HPXPMULLTSSRLC-QFBILLFUSA-N 447.561 1.739 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCSC2)c1 1722309488 NYLCPTDRWBMFTF-JTSKRJEESA-N 441.557 1.706 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722328976 AABNOGXSROIQJT-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1722361541 OCTFCRWJSVMDBW-QGZVFWFLSA-N 446.602 1.016 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCN1CCCS1(=O)=O 1722387360 ULFZLKWDBWHJTI-UHFFFAOYSA-N 441.557 1.582 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1722389690 LRHDXXHXNXZTRZ-MRXNPFEDSA-N 445.593 1.258 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(OC)nc2OC)CC1 1722443874 CQJQQMQLNRABDY-UHFFFAOYSA-N 426.521 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@@H](C)C2)CC1 1722449640 NFGFGTJVGNDVPR-ROUUACIJSA-N 442.564 1.181 30 10 IDEE C#CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1722463578 GTWXNGDKNOMJBW-FGSXEWAUSA-N 447.605 1.933 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722495286 WOEHIHQVIRGOBM-UHOSZYNNSA-N 427.553 1.574 30 10 IDEE C=C(C)Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1722553554 SHOJJSNUMNILPQ-IBGZPJMESA-N 427.571 1.272 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722604157 VCXAVAFDGQYBQO-IXDOHACOSA-N 427.571 1.174 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1 1722656815 JNOXQEZPXZUDHZ-HXUWFJFHSA-N 436.516 1.705 30 10 IDEE CCCOc1ncccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1728227248 HETMBGDLNVNLFS-KRWDZBQOSA-N 448.487 1.886 30 10 IDEE CO[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729835029 AHSYVDPWKMXSLK-CRAIPNDOSA-N 428.541 1.795 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1730763558 HRRMMJDUZOTRRP-KRWDZBQOSA-N 433.534 1.495 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1=O 1730785650 GZGXKLFNJQTHLW-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCCCO)CCO1 1731189583 MMQPJPXWJUPOFX-MAUKXSAKSA-N 431.518 1.635 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CCCC2)c1 1740562417 NDIBHHRWBRWWMI-UHFFFAOYSA-N 437.548 1.568 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN(C)S(=O)(=O)CC 1740612385 PWXMEPTWWIQUIO-UHFFFAOYSA-N 429.550 1.258 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740697546 ITCYGPRZLOTPEL-UHFFFAOYSA-N 438.557 1.397 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740711673 QVRUKJDORSEBQC-MRXNPFEDSA-N 428.474 1.861 30 10 IDEE C#CCSCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C 1740723900 VYJXOLCTOJGKBS-UHFFFAOYSA-N 427.578 1.763 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(OC)CCC2)CC1 1740825360 NFXLWUGIGBKCLI-KRWDZBQOSA-N 439.582 1.727 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1740932409 NBESIVVTIYAMDF-KSZLIROESA-N 439.582 1.341 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740948922 RMJMZPREUMWBMQ-UHFFFAOYSA-N 428.512 1.927 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1740965044 LABBUIMYTQNCHF-PMUMKWKESA-N 447.458 1.388 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1742363218 BIIFIXBXXKJAEZ-MJGOQNOKSA-N 445.545 1.719 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1748674054 OFFMPXIMGGIWPC-IAGOWNOFSA-N 444.540 1.726 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1748784661 QTTNOZXGZNIUGR-SFHVURJKSA-N 449.559 1.713 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1748858506 CYCVSGUACQZXHI-HDICACEKSA-N 442.564 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1748903325 XDFZRJYQWHVQCR-FQEVSTJZSA-N 432.528 1.912 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CCOC 1748912756 IDUPVSLLJIUAKO-NRFANRHFSA-N 448.593 1.794 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748935376 QTXAZLQKZZKBHD-LJQANCHMSA-N 440.548 1.835 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C1CC1 1748960971 SNWRCKPCAMFYHE-QGZVFWFLSA-N 449.559 1.761 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1748986659 GDHZGQHZCXFOBN-QGZVFWFLSA-N 440.552 1.746 30 10 IDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1749244080 DXNASXWACCCODY-QGZVFWFLSA-N 430.534 1.024 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749668624 BCRFOLQFXFOYMN-GJZGRUSLSA-N 430.475 1.547 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1750044455 LKTWDGWKVVHYAY-KRWDZBQOSA-N 428.493 1.659 30 10 IDEE CC1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1752257661 CCPGOLOSHCOSIO-SFHVURJKSA-N 438.536 1.776 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1752429395 HFZRMSZUYIEKTF-IFXJQAMLSA-N 433.559 1.308 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1760245772 LPVWNDWVHSYKLF-CTNGQTDRSA-N 448.531 1.988 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1760277442 KRSVXSAXOZHAGV-UHFFFAOYSA-N 438.557 1.915 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760345235 OVBPICFFBIRIPT-DLBZAZTESA-N 436.582 1.636 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760399247 FNCLJHFJOYZZSG-OAQYLSRUSA-N 432.546 1.906 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1760456673 UVORYKZJMFKQEB-MRXNPFEDSA-N 429.550 1.804 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC)C1CC1 1760476658 BSLBMNHGBAPJHP-HNNXBMFYSA-N 433.534 1.796 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760518053 HAVZKMHUFHKRSB-WBVHZDCISA-N 445.955 1.453 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760526723 RWVQDDAHXULZQS-HOTGVXAUSA-N 444.561 1.435 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1C(C)(C)C 1760528628 IJFFOBKRPYRACV-UHFFFAOYSA-N 433.601 1.258 30 10 IDEE CC(C)NC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1761262180 HIQGACJOQGAONS-PGRDOPGGSA-N 445.568 1.020 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1 1763221072 CGVKMQLRUOZVQT-GOSISDBHSA-N 435.492 1.125 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1764690864 FJPBBIAVOMCWIU-CVEARBPZSA-N 449.556 1.661 30 10 IDEE CCn1cnnc1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1765356787 GLJVRCFIPUHZGZ-HXUWFJFHSA-N 426.456 1.967 30 10 IDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1)S(C)(=O)=O 1768581746 PWYDEAARTBSUGJ-UHFFFAOYSA-N 446.577 1.840 30 10 IDEE CNC(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769338561 GBBXODYDTRUZPL-UHFFFAOYSA-N 444.543 1.793 30 10 IDEE COc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 1770168161 NNNYGRAXTHCUME-VXPUYCOJSA-N 426.477 1.767 30 10 IDEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cnc21 1848890561 FYTFGABUGQNVKZ-UHFFFAOYSA-N 433.516 1.959 30 10 IDEE C=CCN1C[C@@H](C(=O)Nc2c(-c3ccccc3)cnc3nc(N4CCOCC4)nn23)CC1=O 1852331938 WWGBCLUDFAKJPP-KRWDZBQOSA-N 447.499 1.601 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)C1 1854467889 IYWXRLQJJKTTHD-QGZVFWFLSA-N 443.928 1.879 30 10 IDEE N#Cc1cc(C(=O)N2C[C@H](C3CCN(C[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)ccn1 1855075886 USTBVGKEQDYGFC-CRAIPNDOSA-N 430.530 1.089 30 10 IDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C4CC5(CC(=O)C5)C4)C(=O)C3)C2)s1 1856325946 RAQCJFIVQHLUSY-INIZCTEOSA-N 426.542 1.624 30 10 IDEE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)nn1C 1867101495 DODHUILKHOXLEC-SFHVURJKSA-N 437.431 1.836 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2[N+](=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 1870004630 GMUWMKPYDGQJGN-AWEZNQCLSA-N 446.489 1.977 30 10 IDEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155536 RPBPEWLGBCNWDS-UHFFFAOYSA-N 445.395 1.899 30 10 IDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN(CCO)CCCC 1870535261 MUXQJQYNXJLRGR-UHFFFAOYSA-N 436.597 1.466 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)CC1=O 1874273882 LXEVHPRJGJUWJF-CGYLCNSDSA-N 432.506 1.263 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cccc([N+](=O)[O-])c1 1874435014 JAPLRFGUEDGALM-DNTJNYDQSA-N 434.478 1.996 30 10 IDEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c1O 1874435025 JSKKTIDEAIQSQN-ODCIPOBUSA-N 435.506 1.802 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1892072993 LANTWVUIRZOFAT-MRXNPFEDSA-N 436.541 1.774 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255594909 FYPBQHXCSCRYRP-IPYPFGDCSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255594947 GBIBWSAVIQYTEN-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255712849 SKCJBIRKKODIDZ-HIFRSBDPSA-N 436.314 1.536 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826652 CGQXQEPFBFVOPT-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255827164 VTWRHVNAQTVVAB-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2255828427 UANVFSMDKQWVLO-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256066654 GABFWAOGYPDTMZ-AWEZNQCLSA-N 430.314 1.681 30 10 IDEE Cn1cc(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267133817 HLLQKEHWJPZPKK-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCOC1 2267140423 QFQJVGNKOLXYJV-QHCPKHFHSA-N 440.353 1.730 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@@H]12 2267486672 MZBXUHFFAOMFQE-ARFHVFGLSA-N 448.325 1.943 30 10 IDEE Cn1nc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2267541791 ITRPSSSJLJZCBE-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2267561386 OQUWXVKFTORJNE-PVAVHDDUSA-N 447.341 1.678 30 10 IDEE COc1ccc(C#N)cc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286045422 QIWRHYDEMHDERM-MRXNPFEDSA-N 433.442 1.688 30 10 IDEE Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4cccc(C#N)c4)cc32)no1 46145540 MFOPYBFWNAOGGX-UHFFFAOYSA-N 425.426 1.976 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccc([N+](=O)[O-])cc3)n2)o1 59880005 KHTYZOLCOUTSFB-KEBDBYFISA-N 445.465 1.903 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCN1CCOCC1 440387283 QYHNOIPSHJUROS-OAHLLOKOSA-N 429.542 1.262 30 10 IDEE COC(=O)CC1(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCS(=O)(=O)CC1 474454141 PZMUGSOSMYPQFD-UHFFFAOYSA-N 446.481 1.971 30 10 IDEE CCOC(=O)C1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCOCC1 504840286 OHVXZBCLXAOVIR-UHFFFAOYSA-N 425.489 1.735 30 10 IDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 506048171 VUAVPLDIYCFMAD-UHFFFAOYSA-N 426.489 1.423 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 522109374 OLEFNCARIUUTRZ-UHFFFAOYSA-N 438.505 1.748 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)CC2)n1 545511646 GGYDHMJLCRXFFB-UHFFFAOYSA-N 444.492 1.986 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CS(=O)(=O)c3cccc(Br)c3)CC2)n1 546197469 OQKDZLFAQJMSNM-UHFFFAOYSA-N 449.330 1.838 30 10 IDEE COc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(=O)(=O)N(C)C 546878540 VAIPZQRRYRQMQR-UHFFFAOYSA-N 429.502 1.175 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(Cc2ccccc2)c1=O 560429152 KQLJBWODCGHMCS-SFHVURJKSA-N 448.548 1.499 30 10 IDEE C=CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 579885916 RIXGNWMBUHFZLX-MRXNPFEDSA-N 440.566 1.612 30 10 IDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 580380254 AKJFREJCYAHUSF-GFCCVEGCSA-N 434.547 1.165 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccccc1C#N 604000140 QSNLVYRPFFIJAM-UHFFFAOYSA-N 448.454 1.831 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OC)CC1 670209193 XBVYZPZBAJGCSA-LJQANCHMSA-N 427.505 1.913 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726590355 IEQLFNJFXXLKEZ-UHFFFAOYSA-N 445.523 1.975 30 10 IDEE C#CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 775381851 DURSGJJOZIJVAP-LBPRGKRZSA-N 429.292 1.890 30 10 IDEE CCN(C(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 780175037 GJDGLXMDYWGAPA-KSMMKXTCSA-N 430.523 1.215 30 10 IDEE CN(C)c1ncn(-c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)n1 799725612 YUOHANOSXBVHGA-UHFFFAOYSA-N 439.501 1.401 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1)c1cc[nH]n1 801426100 RCSIMMDITHYENT-UHFFFAOYSA-N 443.479 1.886 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)cc1OC 1083976512 UULNONYAZXVTHK-UHFFFAOYSA-N 442.505 1.971 30 10 IDEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc(OC)c1OC 1083991455 LEGUAVRDYXAKMB-UHFFFAOYSA-N 446.493 1.741 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)CC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 1127899799 IPXGXYPOGTYYGA-GOSISDBHSA-N 428.537 1.079 30 10 IDEE N#Cc1cccc(C2(NC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CCOCC2)c1 1131371052 YIYGBLJIXWTDLS-FQEVSTJZSA-N 435.459 1.939 30 10 IDEE Cn1cc([C@@]2(CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCCO2)cn1 1134580973 FAZQKLPFEMRMBZ-AVRDEDQJSA-N 436.472 1.319 30 10 IDEE Cc1ccc(C(=O)Nc2cccnc2N2CCC(O)CC2)cc1S(=O)(=O)NCC#N 1149588440 POQXBCVTSNFGLN-UHFFFAOYSA-N 429.502 1.405 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1153313398 LIJAOUNUNJLTJS-DNVCBOLYSA-N 426.535 1.594 30 10 IDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1164495701 WDTMVROZTWOITM-QGZVFWFLSA-N 446.451 1.032 30 10 IDEE CC(C)c1ccccc1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1189869499 XUZLZTFAMVEAGA-UHFFFAOYSA-N 426.473 1.985 30 10 IDEE C=CCN(C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1264995658 OLEVWWHKPRQGCM-SFHVURJKSA-N 426.560 1.361 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286335845 FFOIAJSJXFRFMX-UHFFFAOYSA-N 435.536 1.530 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1286360428 GPQDQNXCKVUNNN-HZPDHXFCSA-N 436.607 1.856 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1286375974 BNBKNVHLPFYESQ-XLIONFOSSA-N 427.574 1.696 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286444960 DDUJSJMNTHXZJV-QRVBRYPASA-N 435.594 1.836 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC=CCO1 1286466796 KGLNORQDKLROGK-HXUWFJFHSA-N 437.548 1.883 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)C(C)(C)C)CC1 1286651373 BSDWKMIJBCXJGM-CQSZACIVSA-N 447.627 1.504 30 10 IDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1286677654 HAXQCNUMDFJSDE-FUHWJXTLSA-N 446.577 1.527 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286817569 NYCSWXJNKJRKBU-FXAWDEMLSA-N 425.599 1.693 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1=CCCCC1 1288862419 JKNWHUTYZAQTCH-MAUKXSAKSA-N 433.582 1.565 30 10 IDEE COc1ccc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1 1289435644 CHKLKLZKSPJZIJ-SUMWQHHRSA-N 427.320 1.787 30 10 IDEE CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ncc(C(=O)OC)s1 1294042487 RTUORJOVILWXPM-UHFFFAOYSA-N 436.515 1.802 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCn1cc(Cl)cn1 1297279523 HLQBSVKXXSLNBZ-UHFFFAOYSA-N 441.927 1.958 30 10 IDEE COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1297844604 VSORLTYFVOMRSZ-MRXNPFEDSA-N 437.905 1.922 30 10 IDEE CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CCN2C1=O 1298876296 FWBAPYPMMKPTAD-INIZCTEOSA-N 431.447 1.654 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1300272434 MIVFVIDYCDUFTP-IRXDYDNUSA-N 441.561 1.775 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1300309582 HXPKZLLNRLUVJL-CABCVRRESA-N 430.513 1.221 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1300448962 JQNDYOALDVJPNK-INIZCTEOSA-N 427.505 1.527 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccnc1)C(C)C 1300466586 YGNUDVMVNHWYOR-RTBURBONSA-N 446.577 1.515 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1300490624 AAWFVEJAGLKHGA-KRWDZBQOSA-N 431.566 1.094 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300732109 KPHRUJFPSHQXGA-SFHVURJKSA-N 443.577 1.291 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301174133 MXPOKQNJHGQGFT-HIFRSBDPSA-N 439.542 1.514 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1301371286 BCABZZXUNLVVAZ-HNNXBMFYSA-N 444.561 1.401 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301497874 GHKWMHZWAMVMJT-DLBZAZTESA-N 428.468 1.248 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301593618 QZHJAIQYQBOORS-IBGZPJMESA-N 428.555 1.190 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1302019308 CFTXXKJMCBIHCZ-MJGOQNOKSA-N 449.559 1.941 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1303410890 BDBYQDXFHOMRDB-CVEARBPZSA-N 447.540 1.545 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC[C@H]1CCOC1 1306201085 ZHKDRVCLGHMINI-QZTJIDSGSA-N 440.552 1.660 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)[C@@H]4C[C@@H]43)CC2)o1 1308130945 UJWGDDCDYYFJBE-DLBZAZTESA-N 430.509 1.197 30 10 IDEE COc1cc(CNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N 1312651198 NHLANUBNAXFXSI-INIZCTEOSA-N 443.504 1.586 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1358966285 LOYNLKTYMXLPNR-OALUTQOASA-N 433.578 1.116 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1358967861 UOFPDMLUVUWMIO-UHFFFAOYSA-N 428.500 1.729 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1358982128 LJGRWBBVYXLVJK-UHFFFAOYSA-N 445.570 1.167 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1358991623 JJEZVLZJHXAOMA-IBGZPJMESA-N 429.484 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359040145 JVFHLSLSDSBWGO-QGZVFWFLSA-N 444.580 1.036 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1359070333 KMQAYDSDCLUDOE-WIYYLYMNSA-N 445.545 1.722 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359133621 WKBPFJHEEJZKNE-FQEVSTJZSA-N 446.596 1.509 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1359466619 FEBKRLREPTZFNP-JKSUJKDBSA-N 425.603 1.606 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCOCCCO 1360250411 CHJASBUIMNNDMZ-LJQANCHMSA-N 442.520 1.265 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCCCC1 1360693141 FPPVRMMBUCNGPW-YLJYHZDGSA-N 437.614 1.894 30 10 IDEE C=C(CCN(C)C)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1444059870 UPLPAHDBNHWNRD-UHFFFAOYSA-N 439.578 1.729 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1448184088 BPVIBQXUHYAQST-WFASDCNBSA-N 430.324 1.534 30 10 IDEE CN1CC[C@](Cc2ccccc2)(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1467707538 PUMQVBLMCXGINL-OFVILXPXSA-N 430.508 1.867 30 10 IDEE C#CCOCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1475803880 XDIWQGYLIYRXQX-IAGOWNOFSA-N 428.576 1.624 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1499680549 ICAALUFJABEYPA-HYHOCUEZSA-N 447.499 1.958 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1507517601 QOGUJKPGXLFEEU-GJZGRUSLSA-N 442.586 1.603 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1507656376 VSNMGUJJNIXEFA-UHFFFAOYSA-N 443.598 1.987 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC 1507699948 LKDWDUDLLAWZOM-UHFFFAOYSA-N 435.463 1.840 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507966612 UTGTZRKGMASODR-AVRDEDQJSA-N 448.568 1.467 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507971642 PGZYMZWMHWINFW-IAGOWNOFSA-N 436.582 1.341 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1508073127 IYDGCEMFRKFKCI-HOTGVXAUSA-N 436.557 1.824 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1508125988 QDNMVIWHXPVXHG-MSOLQXFVSA-N 447.561 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)CC[C@@H]1C 1508144879 IWNRDIVREHPZEM-OWCLPIDISA-N 430.596 1.406 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1513977805 CUOWYYVIJBIHTQ-XMSQKQJNSA-N 440.504 1.249 30 10 IDEE CCN(C)C(=O)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1515312221 GVBUFYBLQYQZPK-HNNXBMFYSA-N 425.541 1.431 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1517243202 GTFIMWOIPULMOJ-JOCHJYFZSA-N 427.505 1.803 30 10 IDEE Cc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)ncc1C#N 1519090812 YYTJWZWSWJEBCU-UHFFFAOYSA-N 429.502 1.601 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O 1534938658 QTYZYWPJGFWRHD-CQSZACIVSA-N 427.288 1.689 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1N1CCOCC1 1539145118 FNKAWNSEYPKSCU-UHFFFAOYSA-N 425.537 1.546 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539193789 KYRUYHIISMMLJJ-GOSISDBHSA-N 434.552 1.710 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539430740 MXSBNWPGDSXWFV-UYAOXDASSA-N 432.569 1.016 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCSC2(CCCCC2)C1 1540874032 SIPCFKLCQCOJPN-UHFFFAOYSA-N 432.594 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCOC1 1540904617 OCEHSOUHBCICCC-MAUKXSAKSA-N 434.518 1.617 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1541116137 KCAKOPTUXYHQKF-ZDUSSCGKSA-N 426.493 1.634 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)C1 1555985285 MBQYQUSAXMJDMJ-SJCJKPOMSA-N 434.273 1.877 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)cc1 1556716422 KLBKGLZDSRPRQP-HNNXBMFYSA-N 445.488 1.876 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)cc1 1557394697 LRTLYWYDMRDFJF-NRFANRHFSA-N 425.554 1.987 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2C)c1 1587683151 CNGRATDJCQPKEO-JKIFEVAISA-N 430.534 1.525 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1587862269 UIPYUNYGFPLIIX-IBGZPJMESA-N 447.605 1.823 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C(N)=O)nc1 1588125019 YRDXXSAVJBEMMR-UHFFFAOYSA-N 436.479 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN(C)CC(F)(F)F)CC1 1588913576 NLUPDGXUEVHYHM-UHFFFAOYSA-N 449.481 1.800 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1589708588 PHAQIFPKUQWXRS-QGZVFWFLSA-N 444.605 1.754 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1595551817 WARJBHZNBZRGIM-UHFFFAOYSA-N 447.628 1.549 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1595595683 XXRNCHKVVZHMJM-NJNPRVFISA-N 434.585 1.540 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)C(C)(C)C)C1 1595665233 QPGABPXLBBPBKM-INIZCTEOSA-N 439.582 1.509 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 1610065488 ROZMQZCFTFXEHQ-LJQANCHMSA-N 432.565 1.578 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1OC 1616368577 XZXFFAFDSXEXBR-MSOLQXFVSA-N 443.504 1.887 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 1617364813 FKNNWVSNFNPCPF-OWCLPIDISA-N 430.571 1.798 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCc3ccnc(C#N)c3)CS(=O)(=O)[C@H]2C1 1618800187 ABQGYDHXIJVRSA-UAGQMJEPSA-N 434.518 1.240 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1619912011 NZWZHKDDNLPKPE-QGZVFWFLSA-N 435.492 1.429 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCSC1 1619913494 FLCNQUAQUUHEIP-NRFANRHFSA-N 441.561 1.751 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3CC#N)CC2)cc1 1621951565 CFWDHLPEWFBCGX-UHFFFAOYSA-N 449.554 1.847 30 10 IDEE C=CCOc1cccnc1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1625807436 AALIXRBQXQYEHL-HNNXBMFYSA-N 439.534 1.800 30 10 IDEE Cn1ccnc1[C@@](O)(CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1626425142 RBHIYCLMLZYFQV-INIZCTEOSA-N 448.398 1.426 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1)c1cc[nH]n1 1626704962 ITCPOARAGSVNBC-GOSISDBHSA-N 442.472 1.818 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CC(=O)OC)C1CC1 1629352832 SHSGNIKTTBNYFS-RDJZCZTQSA-N 435.546 1.989 30 10 IDEE COC[C@H](C)n1c(SCC(=O)N2CCN(C(=O)CC#N)CC2)nnc1-c1ccccc1 1631231419 NYXDVSOJTZAPOF-INIZCTEOSA-N 442.545 1.829 30 10 IDEE C=CCN(C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)[C@@H](Cc1ccccc1)C(=O)OCC 1634103298 CLNFQLYFGIOOEM-SFHVURJKSA-N 447.513 1.044 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)cc1 1638865878 DAEJJFKLMGMEQD-UHFFFAOYSA-N 436.530 1.466 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cn3cc(Br)c(O)nc3=O)C2)nc1 1638905995 IGTZYUNMCNDWMX-LBPRGKRZSA-N 433.266 1.081 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1642872355 KBWWMFKGKYFSDP-UHFFFAOYSA-N 439.509 1.659 30 10 IDEE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4ccsc4C#N)CC3)CC2)cc1 1643811796 VYHOLVWFPOPJPQ-HXUWFJFHSA-N 441.601 1.933 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3nc(C#N)cs3)CS(=O)(=O)[C@H]2C1 1647979575 FPFWILMWMGKZFA-BNOWGMLFSA-N 440.547 1.301 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2OC)CCCNC3=O)c1 1660874856 PFJJMRQCMKGORN-UHFFFAOYSA-N 441.509 1.612 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)c(F)c1 1673572962 RFIDCNMIQQSZSE-UHFFFAOYSA-N 429.456 1.421 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 1682021869 OIPAGLGIBRUENW-SFHVURJKSA-N 449.471 1.494 30 10 IDEE COC1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCC(c2ccccc2)CC1 1682383954 FQGDULFRLFTUTL-UHFFFAOYSA-N 425.489 1.863 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1689826579 QUQOPYJIRBLNJO-AWEZNQCLSA-N 427.900 1.396 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689984944 YVGWAOWPRGAZQI-GOSISDBHSA-N 436.497 1.788 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1690170999 UHCSDRDCAQDIMA-UHFFFAOYSA-N 439.545 1.921 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)NC)c2)CC1 1690375347 HZKIYCUNMXXHPG-IBGZPJMESA-N 443.573 1.939 30 10 IDEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)CC1 1690411709 SFXHLTAVYRGMOF-GOSISDBHSA-N 433.534 1.742 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1690420189 KBTGYNSDUYIPLH-HNNXBMFYSA-N 441.602 1.342 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690508865 RLFYFDQYEOLFKJ-HKUYNNGSSA-N 448.593 1.575 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690667302 YQTVUZAEAYJWMZ-HNNXBMFYSA-N 428.493 1.533 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1690667753 GJXCMJNCHMLBAP-MRXNPFEDSA-N 438.492 1.727 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1695938944 ABMAKTPXEPRRHW-UHFFFAOYSA-N 438.536 1.537 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1705563936 IAFWWZJZMNBDCO-QGZVFWFLSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1705580170 FFFCDKZRVLWUGH-SIKLNZKXSA-N 446.555 1.571 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1CCCO 1705584704 UUUIGLFPCKPRGE-OAQYLSRUSA-N 431.544 1.436 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCN(C)C1 1705591712 IGIQWZJKEYBIIU-DEOSSOPVSA-N 429.528 1.865 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705649344 UGTSLPAZMIIGCV-AOMKIAJQSA-N 427.553 1.442 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705650688 XNKYNIBDBZFZCG-PMACEKPBSA-N 444.624 1.942 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705662985 RXEBQEMQZTVDGO-OAQYLSRUSA-N 439.633 1.847 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1705666317 BIVHWNZFCNDFMF-RVHYNSKXSA-N 449.552 1.927 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1 1705685073 MLMNYRCDBPKPEZ-UHFFFAOYSA-N 444.311 1.149 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1705829876 DUOMIMSXCFFAAO-QGZVFWFLSA-N 440.566 1.159 30 10 IDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1705830264 LTJLYQYJOVVBND-LJQANCHMSA-N 438.536 1.774 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705927392 XTUBWHYXAJGOPD-RTBURBONSA-N 446.577 1.327 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCCO1 1708234142 ICLVCZZCRIHEHR-MRXNPFEDSA-N 447.499 1.886 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC[C@@H]1C 1712071192 IYQVHNCJPBEOFP-MAUKXSAKSA-N 432.550 1.617 30 10 IDEE COCCOCCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712619537 RPLAHHOOTDJTSX-UHFFFAOYSA-N 430.557 1.380 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)CCN1C1CC1 1712885053 YBFXJZCNTMEIJT-RYUDHWBXSA-N 444.284 1.393 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722318884 SYTWDASSDIOTJV-UHFFFAOYSA-N 435.532 1.561 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)CC)CC1 1722438581 ZOIMTXKROMYCHP-QHCPKHFHSA-N 438.580 1.368 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722632141 JCOINYBHJSILRS-OAQYLSRUSA-N 429.546 1.982 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1722699724 MTYSMUXYCAUKTM-QGZVFWFLSA-N 442.474 1.919 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1723778558 GUDBXKZNJINJEZ-ZQIUZPCESA-N 439.476 1.517 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1723780488 RPGLIGILTOVDHF-GJZGRUSLSA-N 428.534 1.632 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1731012072 BHNBZZOKZPAQGC-UHFFFAOYSA-N 440.529 1.658 30 10 IDEE CSC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1731028638 CBCOCAXSWXKYBP-KGLIPLIRSA-N 430.600 1.491 30 10 IDEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1731186698 WZYICFYTEYCVQU-SFHVURJKSA-N 436.925 1.283 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC(C)(C)C1 1740542497 WNIYPWXZZLMSBU-QGZVFWFLSA-N 435.536 1.490 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740640113 ZBNTVHPUEHZZPZ-MOPGFXCFSA-N 431.606 1.764 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2nncn2CC)CC1 1740700652 YMZFPYOOBGQLRC-UHFFFAOYSA-N 436.520 1.281 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1740965042 LABBUIMYTQNCHF-IYOUNJFTSA-N 447.458 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740985774 LKKSCGIDMCZAAT-FQEVSTJZSA-N 447.605 1.858 30 10 IDEE CC(C)(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1741171549 PPPXFYQZQPOLPZ-UHFFFAOYSA-N 425.537 1.833 30 10 IDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747738917 ZBAWXQHOSBZNCZ-XDOYNYLZSA-N 449.515 1.492 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(O)CCOCC2)c1 1748693109 YCQNOUIIZYSLTA-GOSISDBHSA-N 439.516 1.380 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1748697785 NJVOPMHIQQGVLA-MRXNPFEDSA-N 436.476 1.998 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748756695 RTOQJLASRSFMCD-UGKGYDQZSA-N 435.576 1.666 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1748868049 QFOLYEMQYVVSQV-OFNKIYASSA-N 429.565 1.502 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1748951068 SDJQWJCZKDGXQD-JOCHJYFZSA-N 449.552 1.495 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(C)CCCO2)n1 1748971425 OUTWHVZCBITXGW-XMSQKQJNSA-N 428.537 1.834 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)N(CC)CC)CC1 1748987066 PMTGDAYTNIVVJZ-QGZVFWFLSA-N 427.553 1.491 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749019985 HVGLJOCLVOSWFR-INIZCTEOSA-N 431.566 1.933 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749658289 MTAJOEHJLKCJRT-JLTOFOAXSA-N 432.912 1.680 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749727521 WPSCMPQWSMZJHE-UHFFFAOYSA-N 443.573 1.995 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1ccnc1C 1750028759 PTZDYAGWYTTYCY-QFBILLFUSA-N 428.541 1.384 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1750059506 AOARIPVJMNPKGZ-CYBMUJFWSA-N 427.900 1.634 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760190076 OBTJOLXOWWRCCJ-LJQANCHMSA-N 439.545 1.096 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)Cc2ccccc2C1 1760247622 INGCDVUOYQMKRI-UHFFFAOYSA-N 433.560 1.864 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)C(C)C 1760249470 MIRZQACAACJYCX-QHCPKHFHSA-N 441.580 1.945 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1760249895 BOIOIZBEZFATOE-SFHVURJKSA-N 446.573 1.788 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1760257174 QJDXGTKWMSSQGV-JOCHJYFZSA-N 448.568 1.210 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCCCOC)c2)CC1 1760260538 WLCOTLJNFHZFFD-UHFFFAOYSA-N 447.543 1.954 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)NCCC)CC1 1760268187 FKWMXMDBTZQEMX-UHFFFAOYSA-N 447.543 1.918 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1760381340 IXCOMYCRAFINQP-OAQYLSRUSA-N 434.610 1.781 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760525958 YJUOWJRBPLKJQJ-UHFFFAOYSA-N 441.561 1.851 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1760566558 WUTNMFHPLIIGFB-OAHLLOKOSA-N 442.567 1.155 30 10 IDEE CN(OC1CCCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1767438060 CVLYAORDGQTVBL-STGLLQLASA-N 429.481 1.066 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1767635191 WZPPFEZCRDCVFO-HZPDHXFCSA-N 426.477 1.263 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1768243182 GTNNIZPQJHYWAN-FQEVSTJZSA-N 431.518 1.247 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1769566630 DVHPCOZBUVWUGR-DENIHFKCSA-N 429.521 1.990 30 10 IDEE CCCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1772868976 FRIYXMCROGMQLP-AEFFLSMTSA-N 436.582 1.173 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC2(CC1)C[C@H]2C#N 1852240492 JYGFMWGLZAWRAX-INIZCTEOSA-N 433.530 1.872 30 10 IDEE Cn1c(=O)ccn(CC2CCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)CC2)c1=O 1853191817 STYNTHRFCJWLJP-UHFFFAOYSA-N 426.864 1.272 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1F 1853871898 XGUYZTIRILMTED-OAHLLOKOSA-N 437.493 1.914 30 10 IDEE N#Cc1ccccc1NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1866586176 GLNNVEBDRFHJOY-OXJNMPFZSA-N 441.509 1.755 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCCn1ccnc1 1870478232 BSIPZLJQMHGFEZ-UHFFFAOYSA-N 444.532 1.878 30 10 IDEE CCCCCCCCN1C[C@@H](C(=O)N2CCN(CC(=O)NCCN(C)C)CC2)CC1=O 1873016223 KXMPAZIOAVYEPO-FQEVSTJZSA-N 437.629 1.017 30 10 IDEE C=CCn1c(C(=O)NC[C@@H](c2ccc(O)cc2)N(C)C)cc2c(N(C)CCO)ncnc21 1873595615 KMXDBWNJANSSLI-FQEVSTJZSA-N 438.532 1.784 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1=O 1874337215 GPMJHIMOHKSZFX-TWCVRMSCSA-N 447.477 1.076 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)c(OC)c1 1874432666 QWOYENOQAFBQTG-LSHDLFTRSA-N 434.522 1.432 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCCCCO)ncnc21 1875232724 WCAHEGVTVCECGS-UHFFFAOYSA-N 428.537 1.886 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)CC1 1889249442 YUQQCFBONQBRLR-UHFFFAOYSA-N 427.471 1.311 30 10 IDEE Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1 1889648096 HFSKGOFCGPVXNS-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1891934725 SPYIZPBJRPZYBY-UHFFFAOYSA-N 442.497 1.125 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(COc3nccnc3C#N)CC2)cc1 1891953058 QLOLTRQDJQPEHJ-UHFFFAOYSA-N 429.502 1.530 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2006237783 BLWJKGJDNVJPPG-OAHLLOKOSA-N 425.345 1.937 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2025606277 KBJUSUZBMZQGHB-MSOLQXFVSA-N 429.521 1.382 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2063393110 MBRJHZPDFNAOEM-HXUWFJFHSA-N 434.302 1.086 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C(=O)C1 2124537521 ZAASAFGARRCACC-HUUCEWRRSA-N 449.357 1.616 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141670877 SVZQKJDPQQLIPO-AWEZNQCLSA-N 448.329 1.478 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCNC(=O)OCc1ccccc1 2243386792 HRQIKPVRGLALOT-UHFFFAOYSA-N 442.325 1.684 30 10 IDEE C=C(CS(=O)(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247963163 UPCYBIFJWLDUAL-IBGZPJMESA-N 446.375 1.465 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632027 HLDQEUOLEDOKCE-QWHCGFSZSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255828920 ZDEFYTJUANKLLR-UHFFFAOYSA-N 432.330 1.792 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256620119 FECXCJNMLJMUCD-LSDHHAIUSA-N 433.314 1.690 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1 2267108185 FSEQILZAUUWBIU-MELADBBJSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267275392 NMBDNBPIYYOQRD-QFIPXVFZSA-N 447.341 1.483 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267286036 LOXHWGLISDILRP-HXUWFJFHSA-N 438.381 1.860 30 10 IDEE CO[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267477544 MRURMYBTKHKTEZ-SJORKVTESA-N 447.341 1.745 30 10 IDEE Cc1nn(C)c(C(=O)N(C)C[C@H](O)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267521527 QAAGIONCRDQGIU-SFHVURJKSA-N 443.353 1.677 30 10 IDEE CCc1nnc(CN(CC)C(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)o1 20915579 OMVMXQCTSCPWLV-AWQFTUOYSA-N 445.509 1.230 30 10 IDEE CC/C(C)=N/Nc1nc(SCC(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)n[nH]1 59889236 GFSOZLPZSZRWHH-DEDYPNTBSA-N 435.558 1.945 30 10 IDEE CCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 230008228 RBCLSYRDYAVQGI-VIYGXFRKSA-N 445.509 1.630 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 441693342 VZLVMRYDFKGPGI-UHFFFAOYSA-N 441.513 1.716 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2c(Br)cnn2C)c1=O 447279914 JMAXHVKSCSUYLI-NSHDSACASA-N 435.347 1.710 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cn1 462102860 NIVKMPCBXORDQQ-UHFFFAOYSA-N 449.496 1.748 30 10 IDEE COc1cccc(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)n1 471061161 GSRDWSZZSCRALU-UHFFFAOYSA-N 435.484 1.971 30 10 IDEE Cc1c(C#N)c(NC(=O)CCN2CCC[C@H]2CS(N)(=O)=O)n(Cc2ccco2)c1C 472261351 RYNBWRAVGWEVFH-INIZCTEOSA-N 433.534 1.699 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 478756039 POGVTEKXNNWWSH-RHSMWYFYSA-N 439.493 1.052 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCCC3)CC2)n1 512854342 ACIHTMJVHDRAOB-UHFFFAOYSA-N 438.463 1.683 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 516248509 QJSKIFXSLYQNAW-KRWDZBQOSA-N 449.349 1.248 30 10 IDEE C[C@@H]1CC[C@@]2(CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)C1 541952783 TWZABOYSWQKGKZ-XMSQKQJNSA-N 430.574 1.903 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)n1 582156685 OINOCLVYIFFANI-OAHLLOKOSA-N 427.526 1.611 30 10 IDEE C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cccc(S(=O)(=O)N(C)C)c1 586863960 GGAIVELJUDMGSK-ZDUSSCGKSA-N 432.477 1.441 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C#N 604000099 LMHAZDPHQCBMNA-UHFFFAOYSA-N 432.480 1.937 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 609645304 BWHGHMZLQKTWRN-INIZCTEOSA-N 441.509 1.714 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)cc1 726564011 XVNPSBFCBDDABD-KRWDZBQOSA-N 427.526 1.863 30 10 IDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 729331077 JHWBNKFGANGJSY-GOSISDBHSA-N 440.587 1.299 30 10 IDEE C#CCN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1CCS(=O)(=O)C1 729334070 HVKBZTQLKSGMTF-KGLIPLIRSA-N 439.331 1.451 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 730143019 SFLJXBSAFHLSFI-GOSISDBHSA-N 433.578 1.521 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3CC)c2=O)c1 753787700 ANJPDZRQKMGMAS-UHFFFAOYSA-N 428.517 1.969 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CCN1C1CC1 763139016 SXFCLALAXOFEDA-OAQYLSRUSA-N 431.496 1.754 30 10 IDEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 765232294 CZDSWDJCVUZYIN-UHFFFAOYSA-N 447.288 1.744 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 774487004 VLCYZBWIQYSQMK-IVFWGUPOSA-N 430.530 1.599 30 10 IDEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(OC)c1Br 776039789 AAXWLQTVDBQNRO-ZDUSSCGKSA-N 437.294 1.604 30 10 IDEE C[C@@]1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCN1Cc1ccccc1 777896702 CTSZBVMVMGWNLW-QFIPXVFZSA-N 426.542 1.896 30 10 IDEE COc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](O)c4ccc(C#N)cc4)CC3)n2)cc1 780862078 NJCZXYFFUDZZOE-NRFANRHFSA-N 433.468 1.995 30 10 IDEE COC(=O)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccn(C)n1 787808848 UXGKGDGWGHJMJM-SFHVURJKSA-N 447.517 1.050 30 10 IDEE COc1cc(Br)c(F)cc1S(=O)(=O)NC(=O)[C@H](C)n1cnc(C#N)n1 798851171 VLHOKXKVGZZVCA-ZETCQYMHSA-N 432.231 1.126 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)ccc1F 802243949 JPGAIDYXKXCKMW-YJBOKZPZSA-N 426.510 1.588 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 805785983 LZLGXZLWFHHAKQ-KRWDZBQOSA-N 444.513 1.029 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1 805788091 HELATPCAFCPDFT-CUSZFKRNSA-N 431.503 1.456 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(F)F 808317985 VWTLXHKUECIJOP-ZDUSSCGKSA-N 426.486 1.280 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@@H]1CCCO1 814249637 VKTZLOKJQPUGSL-HNNXBMFYSA-N 448.495 1.423 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1125629835 KBYCZDIFNCGMLP-OAHLLOKOSA-N 428.489 1.456 30 10 IDEE C=C(C)CN1CCC(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1136669910 UVFXCASURFJXDH-QGZVFWFLSA-N 429.583 1.567 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 1137048488 UZCJFIFPFPWXLZ-MRXNPFEDSA-N 430.977 1.939 30 10 IDEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c(C)n1NC(N)=O 1141804085 RORXVPVQAPESHZ-HAVVHWLPSA-N 432.506 1.792 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1 1147279916 WFCWGEWIGUIWKV-UHFFFAOYSA-N 433.530 1.727 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]cc2I)c1 1148280353 IZSNXERYBMEQJU-UHFFFAOYSA-N 430.227 1.178 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1286388758 BKLZDMFFJTXBHT-KRWDZBQOSA-N 426.502 1.059 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1286406980 APXWTOSPNFTEGL-OAHLLOKOSA-N 430.310 1.351 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1286421315 WZJUVPZDYYYYRB-KRWDZBQOSA-N 443.573 1.627 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)C(C)(C)C 1286432712 UWTKLLJJCVXOKK-UHFFFAOYSA-N 430.578 1.816 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286459038 IOUSZULSXGUOMI-NRFANRHFSA-N 434.544 1.974 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2C)CC1 1286471978 PIXLJZGFJWMFOX-IBGZPJMESA-N 444.605 1.503 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CCO1 1286941046 KDOHRNCIPDGKFR-LJQANCHMSA-N 444.561 1.274 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1294841295 AMRXTOOOCZPCGF-KRWDZBQOSA-N 430.534 1.356 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1295175494 ZQPOHIUMDJXWKU-RBUKOAKNSA-N 445.545 1.636 30 10 IDEE CN(C)C(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1297983893 DDHCXBIVPDLDTD-IBGZPJMESA-N 448.528 1.158 30 10 IDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1298886096 CTDGXFCHAUTGIO-FTRWYGJKSA-N 438.573 1.743 30 10 IDEE C[C@H](CC(=O)N(C)C[C@@]1(O)CCc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 1299804183 MVCQNSWXQTXCSI-QRQCRPRQSA-N 427.526 1.796 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1300496424 RDWRTGXFOUHAPY-RTBURBONSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1300509233 HTLFDUKYJZSQBO-CVEARBPZSA-N 433.509 1.568 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1300578553 MGVQMCDWNDXGRD-MOPGFXCFSA-N 434.562 1.229 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1300831193 SRIHCAIXPKCITD-SNVBAGLBSA-N 431.316 1.348 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1300895941 XJCCEGJMSHPPGX-XSLAGTTESA-N 440.548 1.626 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1301500446 MPBLFJDRGADCCJ-VQTJNVASSA-N 425.533 1.922 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301514719 MEKBMCAKHMGAIP-MOPGFXCFSA-N 445.495 1.683 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2n[nH]c(C)n2)C1 1301543407 LGLPMTSWUIEGDI-UTKZUKDTSA-N 431.541 1.769 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301585564 CVMGRMGOQGNSKQ-MOPGFXCFSA-N 431.562 1.728 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)s1 1304227597 AYNFRVDJBOSFGP-CQSZACIVSA-N 444.575 1.620 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1312624601 DYPNFUJFDLYMLD-WIYYLYMNSA-N 430.530 1.269 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1316186697 BGXLCCCGSRQOOI-YJBOKZPZSA-N 425.555 1.709 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358888301 KQRHISRLFRPLAP-UXHICEINSA-N 436.560 1.979 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358932173 AZHWGNLNKOFJAH-SFHVURJKSA-N 441.561 1.448 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358960923 OIARCRQELKDQJK-OALUTQOASA-N 429.546 1.926 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358965972 FOSLUWKKFUHENW-AWEZNQCLSA-N 447.483 1.370 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncnn1C(C)(C)C 1358970485 PIUGJYYBOAUVGP-JOCHJYFZSA-N 425.537 1.786 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1358994423 NCLYOALKLSECMC-XXBNENTESA-N 438.553 1.477 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)C2CC2)CC1 1359041864 KXOVOCRNXULKPZ-XXBNENTESA-N 445.564 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](C)OC)CC1 1359043629 BMYQXCONDAHBAE-HNNXBMFYSA-N 449.515 1.595 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC[C@H](C)C2)CC1 1359046766 FHHOKHTWCKYVJB-ROUUACIJSA-N 426.565 1.803 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359323711 VLXBLDQVIDIJFA-UGNPLGLKSA-N 449.515 1.572 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359334233 XTDBWKGLGWRXTN-ROUUACIJSA-N 431.562 1.728 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CC(=O)OC)Cc1ccc(Cl)cc1)c1cc[nH]n1 1442498653 CVTQQVAEKBCROK-UHFFFAOYSA-N 436.852 1.549 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN(C(=O)CCOc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1462988650 LMTNZVWVGFXVJP-FGSXEWAUSA-N 445.541 1.091 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OCC 1471117341 BWTNLUODBMBTJK-NSHDSACASA-N 439.715 1.901 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4ccnc(C#N)n4)CC[C@H]32)CC1 1472805231 BQUIVSRTPKMAMZ-JKSUJKDBSA-N 427.509 1.720 30 10 IDEE N#C[C@@]12CN(C(=O)NC3CN(c4ccc(C(F)(F)F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1479378465 NVRXAVACQDJMBJ-GUYCJALGSA-N 428.436 1.474 30 10 IDEE CCc1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499029774 JBXWQPNOCWZDBA-YGCDDZCOSA-N 441.536 1.110 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC 1507589692 YNOHHXPMHKRUGV-JKSUJKDBSA-N 429.612 1.602 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1507636754 DAENIWCNHKOCSL-IRXDYDNUSA-N 432.550 1.215 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)CC 1507642535 WNNAHVZLIWLLRK-PMERELPUSA-N 446.602 1.388 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc2c1OCCCO2 1507701865 BYPPSWHJADUAEC-UHFFFAOYSA-N 439.516 1.810 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(C)COCCO2)CC1 1507728793 VCFYPVUIUOAVJO-QHCPKHFHSA-N 425.533 1.460 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507829522 ATMGGNZBCVVGSF-CEXWTWQISA-N 443.596 1.432 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507850533 NFJDWLBYIXSAQS-HNNXBMFYSA-N 445.973 1.297 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1507984648 ZIYHMQVCTYPQTN-IBGZPJMESA-N 449.577 1.793 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1508081312 WWBHVAUCOKWACP-SSEXGKCCSA-N 427.534 1.355 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508146274 WGBDXAFBQCRGDO-MRXNPFEDSA-N 439.582 1.078 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1508150984 IZQADCJQLSDLOV-OAHLLOKOSA-N 439.549 1.507 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)CCOC1 1509808651 KOHCWEHKUHUANA-QFIPXVFZSA-N 442.520 1.625 30 10 IDEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1518227867 AGNNETSNBMVAGB-KRWDZBQOSA-N 440.504 1.389 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1518817540 OCFQRIVZKDNABQ-NRFANRHFSA-N 443.529 1.149 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C[C@H]1OC 1519499470 MXAZPYBRDMWXMM-SLFFLAALSA-N 427.505 1.862 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1C 1536179053 AGBJLJQBVASPAS-LPHOPBHVSA-N 439.559 1.036 30 10 IDEE O=C(N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(n2cnnn2)CCOCC1 1536954189 RLUWQBISPCLZJT-RKDXNWHRSA-N 449.302 1.808 30 10 IDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OCC 1537004513 ZTLNLQILLOKBSX-KRWDZBQOSA-N 440.518 1.344 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(NS(C)(=O)=O)c2)s1 1538371590 NKAZEBZLICPUBT-UHFFFAOYSA-N 429.545 1.765 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1539003318 BSCKGHLQQBBINF-WAOWUJCRSA-N 436.560 1.956 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539454426 NNHQGJXLYDUCDI-QGZVFWFLSA-N 427.578 1.304 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539722082 JWSUPVMYFJORJU-UHFFFAOYSA-N 440.548 1.971 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539751471 NWXWPLNDTDOVHZ-IRXDYDNUSA-N 427.571 1.235 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC(F)(F)c2ccc(Br)cc2)C1=O 1539905590 RYQPDKKAGJYBGG-UHFFFAOYSA-N 430.205 1.634 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1540130753 AJDVMQBEHYKIBD-QGZVFWFLSA-N 433.505 1.468 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540194330 KLRNAQJSCJWSKP-SFHVURJKSA-N 441.941 1.182 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540867834 JOSMIFJUVCVAFW-UHFFFAOYSA-N 439.480 1.532 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1540872142 DOZHTPJOABCIAZ-QGZVFWFLSA-N 430.528 1.467 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540875576 QDRJTBZSALTWPI-MRXNPFEDSA-N 442.520 1.225 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 1542894735 KCULJCSQDDYEIQ-FDDCHVKYSA-N 432.565 1.307 30 10 IDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1545236898 IJWVSXIQELEVTD-FGZHOGPDSA-N 440.504 1.921 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1c(C)nn(C)c1C 1548175443 QVICNFPJIQYOFM-UHFFFAOYSA-N 435.536 1.807 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1555525467 VPAJQDYRPXJVNB-VQTJNVASSA-N 437.548 1.452 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)C1 1558328851 GLIVSNXKQDVBQE-BRPHKXCKSA-N 435.615 1.912 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OCC 1561876325 QTVFBHKPTXFDAE-KRWDZBQOSA-N 430.548 1.647 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1587640423 REIAJNLNPFXVSE-WBVHZDCISA-N 445.545 1.164 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1587723670 QQLWFHBVXAZTOO-SFHVURJKSA-N 440.533 1.348 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCS(=O)(=O)c1ccccc1 1587979209 KLRZZRAECMOUGB-UHFFFAOYSA-N 441.513 1.939 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1588064599 LIGSDXNIARFPTO-KRWDZBQOSA-N 437.591 1.423 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OCC 1588122556 PWSSOSXGWLVMSP-QGZVFWFLSA-N 444.937 1.820 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1N(C)C 1588174096 PQFASEMDIWHMOP-UHFFFAOYSA-N 428.500 1.898 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1588219029 IYSFCQAMAOQNEQ-NRFANRHFSA-N 443.555 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1588233113 AZYIOMLRJAVKOV-LJQANCHMSA-N 428.514 1.688 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1588560872 XIQVXJREEKPNBO-LJQANCHMSA-N 432.569 1.101 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)OC)CC1 1588955249 SVTZNLQAUYGBII-UHFFFAOYSA-N 449.559 1.907 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1594720202 FRGGIGPNTHEFEZ-KRWDZBQOSA-N 437.504 1.109 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1595101171 ZEWANASOURQNMA-UHFFFAOYSA-N 431.504 1.642 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 1626883172 YMRGBUBIVFGMEV-MSOLQXFVSA-N 439.555 1.292 30 10 IDEE C[C@H](CC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C1(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1628239444 LJENIKUHIYMFII-ZTFGCOKTSA-N 434.562 1.119 30 10 IDEE COCCN(CC#N)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1629261894 UWCFFAKMHBJBSF-UHFFFAOYSA-N 429.498 1.980 30 10 IDEE COC(=O)c1ccc(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 1629820014 FBCWYZARCXLSEE-UHFFFAOYSA-N 436.447 1.938 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1633140763 IZKSFDVUWPHGSM-UHFFFAOYSA-N 432.542 1.667 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634584737 SXQTXGIJMMAAMU-SQNIBIBYSA-N 428.489 1.458 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(F)cc(NC(=O)OC(C)(C)C)c2)C1=O 1637227643 KHLMEPCRXZICCS-UHFFFAOYSA-N 434.424 1.766 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1637389715 KVURUUJWABQUGV-ROUUACIJSA-N 436.553 1.526 30 10 IDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1642102967 IUNYBLBINKYEOH-UHFFFAOYSA-N 425.507 1.103 30 10 IDEE Cn1cncc1[C@@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1642428008 VJQYGNAUEOAJNC-IEBWSBKVSA-N 425.489 1.976 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)C2)c(=O)nc1O 1648790896 YKHRERRVVZSQHY-UHFFFAOYSA-N 432.227 1.405 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H]3CC(=O)N(C)C3)nnc12 1649061779 YXCJRODHFUWYBP-CQSZACIVSA-N 440.529 1.307 30 10 IDEE Cc1sc(NC(=O)CN2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)c(C#N)c1C 1654261748 PAPDZUHPZHUGKI-HXUWFJFHSA-N 438.550 1.763 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C[C@@H]12 1654264792 ZVMAGRRHRPJZAI-UOUZQGKXSA-N 437.587 1.817 30 10 IDEE CC1(N2CCOCC2)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1659720443 WXUKKMYZANXQAF-QFIPXVFZSA-N 443.567 1.721 30 10 IDEE CC(C)(C)OC(=O)[C@@](C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1682449811 AMTGUWAKIGKVEQ-HSQYWUDLSA-N 447.557 1.866 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2COCCO2)c1 1689872407 XXCPFQRDNZTYHX-OAQYLSRUSA-N 446.511 1.736 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1689991205 YBQQOYBVEHCXQP-QZTJIDSGSA-N 432.550 1.004 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1Cc1nnc2n1CCC2 1690027985 GDHAUNWTDMQGLX-UHFFFAOYSA-N 431.500 1.915 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)CC 1690046570 DMLKVCOVXQBCKN-UHFFFAOYSA-N 434.548 1.393 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1690090165 YBTOVSPGAUWCNV-IBGZPJMESA-N 447.474 1.550 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCCc2ccccc2)CC1 1690129078 ORTIMWKHMYBKTM-UHFFFAOYSA-N 443.555 1.378 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690508192 CWZCUMQRQSSEPL-ZIAGYGMSSA-N 438.472 1.540 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690675681 BRXCPACXDWJCAX-SFHVURJKSA-N 440.548 1.963 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690734024 UBERXDBUDDNBGJ-QZTJIDSGSA-N 436.626 1.883 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1692662969 NALOCLKNCOSMMV-YJBOKZPZSA-N 441.511 1.992 30 10 IDEE Cc1cccc(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1693210538 HQTNYDVAZMWBGM-KNQAVFIVSA-N 426.521 1.994 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1694448563 KPPSAQZLPWDAOY-HTAPYJJXSA-N 437.504 1.810 30 10 IDEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1696430481 WERZEHJQDJKDTL-UHFFFAOYSA-N 441.511 1.888 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1698254726 NESCOGQVDWTHPE-XHSDSOJGSA-N 446.474 1.615 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1705563498 YTIGGKLXCLGWRU-WOJBJXKFSA-N 446.573 1.796 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C2CC2)CC1 1705635375 XOFYDAJZXYHCJQ-CVDCTZTESA-N 430.597 1.557 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2(COC)CCC2)CC1 1705647284 CDGUJTCIKUEEEI-IBGZPJMESA-N 429.565 1.955 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1705669478 NQXDJNUOUOTCEO-PKTZIBPZSA-N 425.533 1.978 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(c2nc(C)ns2)CC1 1705900253 WQUYRANHYAYZER-UHFFFAOYSA-N 439.549 1.519 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](COC)C1 1705902491 FYBCFUBEOQEKCX-QGZVFWFLSA-N 440.552 1.227 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705931959 GMYONTBGKDGYER-INIZCTEOSA-N 435.550 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1705938730 IDHJCRUNMIEXBG-WOJBJXKFSA-N 440.566 1.148 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc2[nH]ccc12 1706889771 IRFHOUXLRSRBRD-GDBMZVCRSA-N 443.533 1.341 30 10 IDEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CCOC1(C)C 1708269478 BHNKVBDBGGLKSO-MRXNPFEDSA-N 436.520 1.995 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1711297848 WWEXFVGFRMHJOH-MRXNPFEDSA-N 425.493 1.437 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC(C)C 1712011934 BRACAPVXRUSVOM-MRXNPFEDSA-N 428.493 1.509 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cccn1 1722345622 ICSOYEBFNXOWFG-UHFFFAOYSA-N 427.534 1.552 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1722459477 KUNPTMUXDYOIDA-KRWDZBQOSA-N 426.608 1.536 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722494917 SYBVYBFLJAPGTR-RBUKOAKNSA-N 444.580 1.800 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722531354 LUGCZQGMDABRPG-GOSISDBHSA-N 446.577 1.937 30 10 IDEE CC(C)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1723658933 RLEMBLSROCCBKY-BSBNDGSWSA-N 443.552 1.275 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)[C@H](C)CC 1729068800 CEGHSXVSWDOGAR-QZTJIDSGSA-N 441.584 1.922 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1731179226 BFEOMGGOBKDAKD-IIBYNOLFSA-N 425.468 1.378 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 1740582623 PRAQJDDKAQLQTH-SFHVURJKSA-N 429.546 1.283 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740587552 NYPBBYGZYOQBPG-DLBZAZTESA-N 446.577 1.892 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC12CCC(CC1)C2)[C@@H]1CCS(=O)(=O)C1 1740616188 VOJKRVSXCKNPST-BQIYRTECSA-N 433.578 1.623 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740620774 RIMWCLKDWPTHNT-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1740652631 HVOSZQGEALWHCS-UHFFFAOYSA-N 440.511 1.920 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740807136 PKMKAECAZPASJJ-UHFFFAOYSA-N 448.955 1.591 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1740941171 DHGVXRWXAPGHGU-KRWDZBQOSA-N 435.550 1.049 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(O)CC1 1741219016 HVPMSELKQJFFGU-INIZCTEOSA-N 432.525 1.851 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1746474134 FYIJHSYJUTWHJC-UHFFFAOYSA-N 441.584 1.804 30 10 IDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748805857 XEPXHFNUUWPHPF-MOPGFXCFSA-N 443.573 1.535 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3nsnc3c2)CC1 1748976764 AAXABNOSOLGRLX-MRXNPFEDSA-N 441.561 1.810 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(N)=O)CCCC2)CC1 1748993924 QPSSEPYNOLCKSA-UHFFFAOYSA-N 427.578 1.435 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1749065775 BIXOCYPURFIXKG-FUHIMQAGSA-N 437.566 1.030 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749226939 VPQQZDXWOKXZDN-CEXWTWQISA-N 432.569 1.369 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1749560222 JNCXJCQPMXDURL-ABSDTBQOSA-N 439.582 1.795 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCC2)C1 1749694192 PMVMJPRQJRWOBO-SFHVURJKSA-N 430.553 1.698 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1749694680 UQUZKCFVMMNOHE-SJORKVTESA-N 437.566 1.263 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749736431 ITXNKDFNXPJQAL-MJGOQNOKSA-N 430.578 1.538 30 10 IDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCN(C)C(C)(C)C1 1751933684 BMKLDJCXRUKACM-UHFFFAOYSA-N 436.608 1.806 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1760170763 PMYOYEGYYDBVGJ-UHFFFAOYSA-N 433.516 1.520 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1760205506 CLRRTUOBCINPNQ-IAGOWNOFSA-N 426.498 1.093 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1760207856 ZOCZMVOXDODIEZ-UHFFFAOYSA-N 438.557 1.745 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760421551 SITGCRIOOKASAK-QFIPXVFZSA-N 443.552 1.685 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1760527619 CPOQECKZTDPPQN-UHFFFAOYSA-N 444.467 1.377 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)C1 1760593413 VDJNYYAPIPRVGA-GDBMZVCRSA-N 427.509 1.860 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C 1765537813 HCINUUNXCOGSBA-GAJHUEQPSA-N 437.548 1.737 30 10 IDEE CN(C)CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766935320 XEJUDTMEWBHPIV-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H]2C)C[C@H]1O 1767921747 OMHCMOKLJFEHFS-PWIZWCRZSA-N 438.532 1.661 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccn2)C[C@H]1O 1769451680 GYNIFVJRFQGWPR-UYAOXDASSA-N 432.484 1.815 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770601037 WRWRJOXRJBAGBI-BKBKCADHSA-N 447.499 1.958 30 10 IDEE COCCOC1(Cn2c(N3CCN(C4CC4)[C@@H](C#N)C3)nnc2C(C)(C)C)CCOCC1 1771233043 NPUOHULUBJNOLY-IBGZPJMESA-N 446.596 1.964 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1771536004 GGIHLCIZGODTTG-GVDBMIGSSA-N 435.431 1.815 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNS(=O)(=O)CC)CC1 1772554901 RPBNKMSHECFZSQ-HXUWFJFHSA-N 441.598 1.660 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1 1853847131 DJPDJXUWIWVLNR-UHFFFAOYSA-N 427.482 1.559 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)Cn2ccc3ccccc32)C(=O)C12CCCCC2 1854427495 PWQAZLZCQIKUFD-UHFFFAOYSA-N 428.514 1.868 30 10 IDEE C=CCNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1)c1ccccc1 1861605868 CRTLETFPOPVNDN-LAUBAEHRSA-N 435.480 1.986 30 10 IDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 1870568017 PGMIPXPMNXTEJF-JXMROGBWSA-N 436.556 1.990 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCN3C[C@H](O)C[C@@H]3C2)CC1 1890970964 SMAXGQDIAPQJGQ-HZPDHXFCSA-N 427.530 1.769 30 10 IDEE C=CCN(CC(=O)OCC)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108233747 JBSKCYBSVVYAIL-LJQANCHMSA-N 426.466 1.392 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2223124561 PCGKSECETNEZAA-RQJABVFESA-N 439.372 1.678 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247918783 MUDKKTRUUYVRKV-IBGZPJMESA-N 441.359 1.448 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255709590 YJHKZHYEAPDWTJ-CABCVRRESA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826650 CGQXQEPFBFVOPT-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255842788 XNPBUZQRUZYSCZ-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255855022 JSXMBFJQPSYULP-UONOGXRCSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256017669 SQJWXWGGKCGUBJ-AWEZNQCLSA-N 436.314 1.307 30 10 IDEE Cn1ncc(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267014310 XHOZYOVJPVUHII-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267127553 JWXBOCRGCILUPT-DGCLKSJQSA-N 444.263 1.391 30 10 IDEE C[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)C(F)(F)F 2267269403 DJHQYICAELBKBV-WFASDCNBSA-N 441.259 1.910 30 10 IDEE CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267498886 XLYYNBHRBVTKIA-FOLVSLTJSA-N 446.357 1.797 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)n1 2267504436 RWKZUUVZAMYDBF-UHFFFAOYSA-N 449.357 1.648 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2267564575 USWLLYNGILXMLF-UHFFFAOYSA-N 449.357 1.806 30 10 IDEE N#CCCN(CC(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270540313 ZVXRCUIDQMJOSC-ZDUSSCGKSA-N 437.396 1.474 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)c(F)c1)NC(=O)OCc1ccccc1 2286033928 AEFNTYBLZCUYNU-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1F 2296612485 KCROHRQSGOLVGQ-FQEVSTJZSA-N 442.491 1.930 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2320978612 LRIILCBCRPHJEE-UHFFFAOYSA-N 436.314 1.172 30 10 IDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)c1c(Br)c(Br)nn1C 2367740435 MVAHOFIMHRAYOG-MRVPVSSYSA-N 425.146 1.786 30 10 IDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2367830038 FSVHKOAPLGPNCR-SIKLNZKXSA-N 434.558 1.709 30 10 IDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NCc2cnn(-c3ccccc3)c2)C1=O 21627436 GCEVKALOTWZHIR-QHCPKHFHSA-N 428.452 1.827 30 10 IDEE COc1ccccc1CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295079 BPCRSTQWGYUZNT-KRWDZBQOSA-N 442.541 1.578 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(I)c(C)c2)CC1 79049023 ROILIQYMCKINNM-UHFFFAOYSA-N 439.297 1.497 30 10 IDEE Cc1cc(N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)n2ncnc2n1 111200128 LARJOJWEHRMLOW-UHFFFAOYSA-N 446.515 1.808 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 116401664 ZTYSKWVTVRIWPN-JOCHJYFZSA-N 441.576 1.682 30 10 IDEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 445708141 XEAZZRQWGSMESC-UHFFFAOYSA-N 447.538 1.952 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnnn2-c2cccc(F)c2)CC1 468246623 ZTNFAXYMXVRHNE-UHFFFAOYSA-N 440.460 1.425 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)o1 478755022 QWZYKVOFPSHEKR-RDJZCZTQSA-N 428.510 1.489 30 10 IDEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 480757064 KOLIKKXJWGKPPV-RTBURBONSA-N 425.576 1.760 30 10 IDEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 506961305 HHRRARKVOQVDKG-IAGOWNOFSA-N 431.518 1.470 30 10 IDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 508888942 QHWPSZYKUDCIMR-UHFFFAOYSA-N 439.545 1.960 30 10 IDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@@H]1CCOC1 549982287 GIBVPWCXABRURT-INIZCTEOSA-N 430.534 1.260 30 10 IDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 579263124 IZJPZBDHZPUMFN-KRWDZBQOSA-N 430.534 1.402 30 10 IDEE N#Cc1cc2c(nc1NC[C@H]1CCCCN1CCn1nc3c(cc1=O)CCCC3)CCOC2 585622363 NGDIUEXKQPPUAV-OAQYLSRUSA-N 448.571 2.428 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccc(F)cc2)C1 585824357 PNIJJMZWOJMLCH-JACSLDNWSA-N 435.455 1.941 30 10 IDEE CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1I 694985749 RJFZTFWVXPPRFX-UHFFFAOYSA-N 437.108 1.889 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)(F)F)cn1 730144211 IFFWVPZQVWIBQQ-GFCCVEGCSA-N 433.456 1.652 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)CC1 733149284 DMEATLOFITVLTL-JOCHJYFZSA-N 438.572 1.270 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)c1 734358243 GYUFXFGZFACODN-UHFFFAOYSA-N 428.514 1.454 30 10 IDEE C[C@@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccc1C#N 746745076 JQDLBWADBHXEOQ-SPLOXXLWSA-N 446.463 1.904 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(-c3ccc(F)cc3)c2=O)c1 763437237 UPCSPBOEUQSSOC-UHFFFAOYSA-N 445.479 1.913 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCOC1 763457537 DZBCRPUUNWWHQU-KRWDZBQOSA-N 449.532 1.679 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1)c1ccccc1 765144329 IHPRFTKTMKHGFP-UHFFFAOYSA-N 432.461 1.705 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)c1 765733428 YLQWVQFCZBBUTI-MOHJPFBDSA-N 444.517 1.538 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 766334517 XPFUUSXASLPALJ-HXUWFJFHSA-N 428.533 1.482 30 10 IDEE C#CCN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 774196313 IZLQTFOJMCEFBI-FUHWJXTLSA-N 436.553 1.470 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)CCN1C1CC1 778611382 HMVDDXSZWTZBHK-RHSMWYFYSA-N 432.908 1.893 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 780895055 ORMWPTGLLXRCRE-AZUAARDMSA-N 429.498 1.365 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2cccc(Br)c2)n1 788819825 KILHHFZACYNAAN-UHFFFAOYSA-N 433.306 1.684 30 10 IDEE O=C(O)CCNS(=O)(=O)c1ccc(C(=O)/C=C/c2cnnn2Cc2ccccc2)cc1 792870486 QVOHOIINEAZGAV-DHZHZOJOSA-N 440.481 1.976 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C[C@@H](C)C#N)C3CC3)ccc2F)CC1 801177835 HJJTWZJDMFZUPE-AWEZNQCLSA-N 436.509 1.443 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 809923165 YYDBYIUXKZCRLO-INIZCTEOSA-N 449.556 1.624 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCN1CCOCC1 916201764 ZCCHVRFKMMTGGE-UHFFFAOYSA-N 434.443 1.287 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2ccccc2)c2nc[nH]n2)s1 1140671693 KWKAXHVEVNOIQS-INIZCTEOSA-N 431.543 1.821 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1 1143086225 BKDRUUJFALXBKR-HNNXBMFYSA-N 431.436 1.533 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1144393265 ZKMGGFMRRAGQSN-UHFFFAOYSA-N 442.516 1.726 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)CC2)cc1 1160522056 NXHBQBXKYQOFTQ-MJGOQNOKSA-N 449.529 1.092 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CC2(O)CCOCC2)CC1 1168941192 NFYGYQWFIIDWHX-OALUTQOASA-N 438.366 1.924 30 10 IDEE COC(=O)c1ccc(CN(C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)nc1 1171561811 UBJXIVDQUNLKFI-GOSISDBHSA-N 427.530 1.771 30 10 IDEE C[C@]1(C#N)CN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CCO1 1176578365 MIXODTSBOCIAHE-NRFANRHFSA-N 432.546 1.365 30 10 IDEE N#Cc1cnc(N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c([N+](=O)[O-])c1 1187686523 PAPOOTLDNKXGFF-UHFFFAOYSA-N 435.488 1.921 30 10 IDEE N#CCCN1CCN(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1222346163 CGGQMVLFPOVDQB-UHFFFAOYSA-N 439.607 1.706 30 10 IDEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cc(F)c(Br)cc1F 1253230207 AJTOKHXTSACSKU-MRVPVSSYSA-N 442.220 1.922 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1286297590 XDNXIKMDSGDRCS-QLFBSQMISA-N 438.579 1.329 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286706719 SLZWBVQQZRGSKX-UHFFFAOYSA-N 438.536 1.602 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286712354 WXXGZINMDHSTLN-HXUWFJFHSA-N 447.580 1.840 30 10 IDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCS(C)(=O)=O)C1CC1 1286732969 KVIQAVFGRCZIKT-UHFFFAOYSA-N 428.522 1.510 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286784094 WFLKJNYFABUXRK-MRXNPFEDSA-N 442.911 1.607 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286790815 XRCXYGJBXLHWNE-UHFFFAOYSA-N 443.577 1.385 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1298665848 FUBCJWZHKOEUTJ-PNLZDCPESA-N 428.489 1.959 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 1298952832 HCWFCESSBJQYFH-AWEZNQCLSA-N 434.543 1.594 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1300271158 HEXJFBPXVRWVNO-BBWFWOEESA-N 430.578 1.797 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1300272518 NGURCZDUUSIHKC-CABCVRRESA-N 442.549 1.284 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1300403340 IAABBONUVIGQLN-OAHLLOKOSA-N 429.550 1.319 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1300504631 PGIMQMTXIGFJOQ-QGZVFWFLSA-N 448.520 1.659 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300506136 NIPWZCLSSZOMLH-BZSNNMDCSA-N 436.578 1.819 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCCCC2)CC1 1300685541 QEKXLOUIDWBLHZ-HSZRJFAPSA-N 431.581 1.769 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1300700855 XYMGPDHBBXHZBQ-LJQANCHMSA-N 430.597 1.427 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301442042 PZIAZXVEGVCGCU-UTKZUKDTSA-N 445.955 1.958 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1301451900 FNOSUMHWJCEVKC-MRXNPFEDSA-N 432.960 1.687 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1301568030 BTPQCRWOWBEZKG-UHFFFAOYSA-N 447.561 1.087 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ncnn2CC(F)F)n1Cc1ccc(C#N)o1 1303336099 JTCDZIACDKIREI-UHFFFAOYSA-N 433.423 1.422 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)C1 1303556416 GQQZVSSHLCACPL-RDJZCZTQSA-N 427.567 1.440 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1303635872 JRGIOHVYUDBNLY-HZPDHXFCSA-N 437.504 1.736 30 10 IDEE C#C[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCOCC1 1313042884 JVGBGAFJMDPPJE-IAGOWNOFSA-N 443.566 1.138 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(C#N)c1 1315073532 YDBYHCJUNZCWFG-UHFFFAOYSA-N 430.559 1.988 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358958396 NHUHYZHOZBNKBR-MSOLQXFVSA-N 447.517 1.905 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nncn2CC)CC1 1359031296 XCSPFULNAKVUKJ-UHFFFAOYSA-N 442.474 1.961 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC3(C2)OCCO3)CC1 1359045899 XPDSHOLREYWCLD-SFHVURJKSA-N 429.565 1.986 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC 1359072681 NLEOFSVQVFBINK-RUZDIDTESA-N 449.603 1.771 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN(C)CCOC 1359073331 MDJQHDREVZEAFW-OAQYLSRUSA-N 430.578 1.840 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1359105419 OCZYSNGAINWBEL-WCIYBSDLSA-N 433.553 1.578 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359197074 BWAFAXJCRQLTTN-KRWDZBQOSA-N 438.598 1.636 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359215526 DOFJWILMLOVMGI-KURKYZTESA-N 439.582 1.725 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Cn2cncn2)CC1 1359302826 VJXGRCWDWCRDJU-UHFFFAOYSA-N 441.565 1.444 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359334057 RQGVLFZQJKTFQO-CABCVRRESA-N 438.531 1.645 30 10 IDEE Cc1cccnc1OC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1467724652 HLSZIYXCGYAWMS-INIZCTEOSA-N 428.514 1.999 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC)c1 1469274202 ZFKCLRVLLBCWRX-HXUWFJFHSA-N 425.510 1.301 30 10 IDEE N#C[C@@]12CN(C(=O)NCc3ccc(COC4CCOCC4)cc3)C[C@H]1CS(=O)(=O)C2 1469495559 GHJIJWQHIKSWSJ-RXVVDRJESA-N 433.530 1.462 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)CC1 1475010928 BHYBXLVVFQWSKK-UHFFFAOYSA-N 439.557 1.064 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)Br)n1 1492754080 PFPDAORVJDIPSY-LBPRGKRZSA-N 430.257 1.856 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1ccc(C#N)o1 1497071403 PJCFQZFMGCBAPE-UHFFFAOYSA-N 443.508 1.004 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1499307718 MSZKUXUCEBXIDY-GOSISDBHSA-N 433.472 1.441 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)C1 1503679925 MQYFIXREJVRCBC-RWWKDMOOSA-N 428.512 1.980 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)(F)F)CCO1 1503774442 XRGQLLYFEMHUKA-HNNXBMFYSA-N 438.410 1.694 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505026909 CYKMIEFXRIIGEF-LZICOFPGSA-N 441.492 1.041 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1505043871 MROQYBPNQJQVND-KRWDZBQOSA-N 426.521 1.927 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)noc2C)c1 1507549849 ACKHJNRQOONUMT-LJQANCHMSA-N 447.499 1.939 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCCO1 1507610193 DJNATSAXTBDBAI-KRWDZBQOSA-N 436.516 1.847 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507629930 RADADKFSIYHEAT-PMACEKPBSA-N 437.525 1.789 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2ccsc2)CC1 1507715402 ABSVCMAFKBVXBN-QFIPXVFZSA-N 444.605 1.921 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1507738602 RXXMRPWNPLSNIG-WMZHIEFXSA-N 439.564 1.992 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1507764425 PJYLPVOSLWYOTE-HXUWFJFHSA-N 444.517 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(=O)N(C)[C@H](C)C1 1508087945 QYWSVFGHCQEDDJ-OAHLLOKOSA-N 435.488 1.569 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1508090783 IQSUYPQBKFGIAL-JOCHJYFZSA-N 438.488 1.027 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CCO1 1517535954 ICVYKZQIXDILGX-KRWDZBQOSA-N 449.519 1.163 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)C[C@H]1O 1517689883 PUBPKVWMVJEYGY-BHIYHBOVSA-N 425.489 1.604 30 10 IDEE CC(C)(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1COCC12OCCO2 1535565660 IRORFDJKCBVQLY-KRWDZBQOSA-N 437.518 1.024 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1539203118 NSBLOONOLHILRL-MRXNPFEDSA-N 445.593 1.569 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1539212697 RNPXBLCFOAYYML-HXUWFJFHSA-N 441.557 1.996 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1539417001 WURSUGSQCQTHPI-IBGZPJMESA-N 445.589 1.575 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[S@](=O)CC)CC1 1539484364 MKMPKLQFGZRJBF-SSEXGKCCSA-N 448.618 1.368 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1539714577 MIYXEQACDXAOOG-UHFFFAOYSA-N 440.552 1.800 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540866220 HFTTUJVQZMBOOA-LSDHHAIUSA-N 435.550 1.514 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1540888934 BCGMAOXFSSJRJI-VQTJNVASSA-N 440.596 1.790 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1541088941 QVGCZCDKNAVWRN-IBGZPJMESA-N 444.561 1.746 30 10 IDEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1541272743 PCVLIRJRLAQDIF-QAPCUYQASA-N 439.520 1.731 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2noc3ccc(Br)cc23)CC1 1542894750 KSXAKPUZLDBWLE-UHFFFAOYSA-N 433.306 1.417 30 10 IDEE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978607 TYJJUZFMELGEFO-RWNPKEDZSA-N 428.489 1.970 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(S(C)(=O)=O)CCCC1 1543317681 BYPGBNUXABPNAK-OAHLLOKOSA-N 444.565 1.321 30 10 IDEE C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1544982249 GITOBTIHLCOBPY-BZROSYFNSA-N 437.504 1.406 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)n[nH]2)c1C 1545221180 LJYXMIAYXXLSRK-LHSJRXKWSA-N 425.493 1.526 30 10 IDEE CN(CCC(F)F)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554252539 ZEEAGACBMNXOBL-ICFOKQHNSA-N 437.451 1.132 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1555671998 TVCRJHOOPPUWAP-FYINFDKHSA-N 433.484 1.778 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@@H](F)C2)C1 1555812568 GQRVMAUKRYSPNL-ZACQAIPSSA-N 440.545 1.489 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1555940858 CSLOQEKOECOYRI-PGVRVYGSSA-N 425.493 1.017 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCSCCCO)CC2)nc1 1555991563 QXSVZVMQVZZLSR-SFHVURJKSA-N 443.577 1.491 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccccc2N2CCOCC2)c1 1556673633 HESOYYVRKXCCPF-UHFFFAOYSA-N 431.489 1.932 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 1557815926 TUNSSDJKEZZNKY-UHFFFAOYSA-N 437.525 1.662 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 1560057795 DAUFJMUJQZUAIR-LSDHHAIUSA-N 439.559 1.681 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1565265994 DFCHNIZTCRPEEC-QFIPXVFZSA-N 429.565 1.513 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C2)c(=O)nc1O 1565343697 RJNKFESZTUIGAY-CQSZACIVSA-N 446.261 1.673 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c1C#N 1567645842 JGRKWTYHYWXMHQ-LPHOPBHVSA-N 437.422 1.060 30 10 IDEE CCN1CCN(CC(C)(C)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1585238970 XLMLTEBNGFURSA-IBGZPJMESA-N 440.548 1.296 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccn(CC)c2=O)CC1 1588968050 GGWUSLOVAXZXMN-UHFFFAOYSA-N 426.521 1.010 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nc(C#N)cs1 1598155766 RSXHFQSGAFLXBX-CYBMUJFWSA-N 428.536 1.870 30 10 IDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1608059874 HFNBGCCXRMSHGX-IBGZPJMESA-N 437.548 1.364 30 10 IDEE N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](N3CCN(c4ccccc4)CC3)[C@@H]2O)c1 1616154456 RWVVXACOCYVAIY-JLMDMGSGSA-N 449.511 1.355 30 10 IDEE CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 1617066771 VXGZFOQXTUMOJN-AWEZNQCLSA-N 433.490 1.465 30 10 IDEE CN(CC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1618078055 AONAAERRHAZWCG-NRFANRHFSA-N 429.546 1.993 30 10 IDEE C#CCn1cc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)cn1 1618800506 LNJAIJJEXDAKQD-FQEVSTJZSA-N 428.514 1.579 30 10 IDEE CC(C)(C[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1)C(N)=O 1624478880 QKTRPTRKIOTYCD-HNNXBMFYSA-N 434.562 1.646 30 10 IDEE COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCN(O)C3=O)ccc2F)cc1 1628548000 NVMGIXSFJHBYAH-MRXNPFEDSA-N 437.449 1.745 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3n[nH]cc3C(=O)OCC)C2)c1 1630674244 JPWIOOGOMRCSRP-OAHLLOKOSA-N 430.486 1.128 30 10 IDEE Cc1ccc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1635211450 BXIXVDCWIFVSFB-UHFFFAOYSA-N 436.383 1.696 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)nn1 1636330585 IQXKBQPWZCCHBU-HNNXBMFYSA-N 434.497 1.016 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc3ccccc3cc2Br)CC1 1636480367 ODMZKQDEEPROAY-UHFFFAOYSA-N 437.319 1.223 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1 1637773450 FJKBVNPQDHXEBW-GOSISDBHSA-N 442.497 1.072 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4OCCO[C@@H]4C(F)(F)F)CC3)n[nH]2)cc1 1640947707 RHBURCQFQNTUIR-MSOLQXFVSA-N 435.406 1.943 30 10 IDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)C1 1645229847 JDFFVFAVNDXAKI-UHFFFAOYSA-N 427.954 1.429 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)C2)c(=O)nc1O 1648787842 YQUWKAOASCJCEV-CYBMUJFWSA-N 440.435 1.287 30 10 IDEE N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1653195871 KQAJZOMGRZFSID-BQIYRTECSA-N 433.530 1.435 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c(=O)n1CCO 1656828650 UZUZCOGNEGTSOJ-JOCHJYFZSA-N 444.491 1.357 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1689908004 SQBZKIAIBXJIQH-UHFFFAOYSA-N 430.553 1.297 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1689993238 YSCZJAYQKMBJIK-HXUWFJFHSA-N 438.557 1.760 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1690170808 QYQQOJGXTRLPNA-ZDUSSCGKSA-N 441.483 1.984 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690298434 XSWQYNVAPKUMDU-CVDCTZTESA-N 448.612 1.932 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1696838962 KCPAEHCBWNAIND-GHTZIAJQSA-N 445.545 1.636 30 10 IDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1698066731 YBIUWUWAYINVBY-UHFFFAOYSA-N 425.493 1.037 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705566408 NUEQAIGLSXPBBY-LNLFQRSKSA-N 449.621 1.670 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 1705595091 FHBAMTAUTZZFFF-UHFFFAOYSA-N 436.541 1.734 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705618166 WIAGZLMACZXKDB-INIZCTEOSA-N 435.525 1.737 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCN1CCCS1(=O)=O 1705675589 UBZNYNBWIGUNEI-JOCHJYFZSA-N 443.573 1.905 30 10 IDEE C=CCn1c(C(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705885803 OCSJKJHUWFUFAZ-ILXRZTDVSA-N 425.555 1.714 30 10 IDEE CNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1711400051 FBKNHGWODROUQW-JOCHJYFZSA-N 434.504 1.458 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722288642 DIGGGKHNGVYIMB-GOSISDBHSA-N 432.532 1.485 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1722304469 XVARWVSCEPBYKY-SJORKVTESA-N 429.496 1.949 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCCNS(C)(=O)=O 1722373018 CZWGTBMBWOZTRC-UHFFFAOYSA-N 425.558 1.760 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCCC2)CC1 1722433174 NWTSLUPVHOFPPO-UHFFFAOYSA-N 446.397 1.897 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)C(=O)NC)CC1 1722438761 AUYYCGAOXOBSHP-UHFFFAOYSA-N 430.503 1.675 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@@H]2C)CC1 1722442368 YWTPAHZGZVAEJM-ZWKOTPCHSA-N 442.589 1.697 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1722446265 CIKBELDYAWUNNG-MRXNPFEDSA-N 442.486 1.590 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722526168 QRVHWMQIZFBJPC-FPOVZHCZSA-N 448.612 1.959 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722698716 KVPDCKYXZJOWGF-IRXDYDNUSA-N 448.568 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722725293 IKEJFTBLAYZVNQ-DLBZAZTESA-N 432.502 1.968 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCS(C)(=O)=O 1722865266 GLEVQJDCCMRHQS-HNNXBMFYSA-N 449.533 1.373 30 10 IDEE C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1726738949 BLQMNJCGSNBMRF-VQHPVUNQSA-N 440.570 1.022 30 10 IDEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1729591602 FZZXDTZOVDYGGM-HNNXBMFYSA-N 448.409 1.673 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2ccco2)C1 1729740539 ANAUNNYIYKBRDC-SFHVURJKSA-N 442.501 1.537 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1729778940 POVWCXGQZGDGLI-HTAPYJJXSA-N 441.488 1.534 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740575618 PNAIKDAUGVFDBZ-RTBURBONSA-N 428.581 1.765 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1740607454 QZONYFTUZKQBRR-UHFFFAOYSA-N 431.504 1.975 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1740616125 SVZXYHANDKLSNT-KRWDZBQOSA-N 444.561 1.604 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1740628840 VCSBWSHBDUOPCO-HXUWFJFHSA-N 445.589 1.551 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(C)cs1 1740685808 MMSSNLPRXGQVKS-ZBFHGGJFSA-N 437.591 1.835 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)F)CC1 1740705528 HYKKHVJSFHRNCN-INIZCTEOSA-N 425.480 1.767 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1OC 1740951650 KFVYHHCGOWPCHN-UHFFFAOYSA-N 435.488 1.873 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCOCC2)C1 1740970531 NIUTUWQFFVPXBZ-WOJBJXKFSA-N 446.596 1.652 30 10 IDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)s1 1742734425 CRLZARPDFHKDSY-UHFFFAOYSA-N 438.561 1.988 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(C(=O)N(C)C)c1 1742837005 KQYQFXNVWZHSSN-UHFFFAOYSA-N 430.516 1.930 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747706660 HREIVSMCBGGDPI-XLIONFOSSA-N 431.518 1.187 30 10 IDEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1747778245 BSINSINDDUKNIL-UHFFFAOYSA-N 441.513 1.986 30 10 IDEE COC(OC)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1748455443 GAGXGCIJVRFTFC-KRWDZBQOSA-N 428.493 1.485 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCNS(=O)(=O)Cc1ccon1 1748649193 LACCSZQAMVMGMA-OAHLLOKOSA-N 444.517 1.519 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)COCCO1 1748772277 SLBDBIVWAVNYFG-FQEVSTJZSA-N 432.550 1.422 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCCOC)c1 1748790219 GGTKBJMDHIWOSJ-SFHVURJKSA-N 432.546 1.713 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1748846149 DPQMHLFWTHVCMN-ZCNNSNEGSA-N 431.606 1.621 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1 1748914589 HRLPUVHDXVROFF-OAQYLSRUSA-N 447.561 1.460 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1749053333 GTAIJIUKJLQRNU-JXXFODFXSA-N 431.566 1.655 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1749086083 DJUOTFMDAVUJNP-JHVJFLLYSA-N 431.468 1.848 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749660377 OEFKTWHGCUGDEQ-RTBURBONSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749666477 MHFKOIZMUQPUJY-GOSISDBHSA-N 440.548 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1749725537 WFIPHWALTFMPGG-UHFFFAOYSA-N 425.518 1.750 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1760225554 SSCCRNLBSHJOOX-AWEZNQCLSA-N 428.559 1.263 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1760273176 KNDHGDMVMBUCDS-UHFFFAOYSA-N 448.637 1.675 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760335440 MVZSAUMBCFVCSE-BQFCYCMXSA-N 447.565 1.186 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760520120 ZCXKWNMCOUQWGW-UHFFFAOYSA-N 431.500 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1760522667 AFZGEGJVXZGXML-MRXNPFEDSA-N 438.511 1.835 30 10 IDEE CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)COC1 1760781149 FWGWFLXFSKKLNY-KUHUBIRLSA-N 436.488 1.865 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)CC1 1761192654 NJMXHWRAZRQSAV-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1761356395 GJCMPCKXBFZRLP-INIZCTEOSA-N 430.534 1.726 30 10 IDEE C[C@H]1[C@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1762987748 GMJYJASPXPLRGG-KEYYUXOJSA-N 434.522 1.359 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@]2(CCCOC2)O1 1763081389 GQKINFXDHBPHSS-IIBYNOLFSA-N 445.545 1.636 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766377602 JHBITFTZYXOMIN-QGZVFWFLSA-N 425.493 1.533 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1768212208 OJBFXKCVQWIERQ-WMLDXEAASA-N 430.534 1.355 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCCO)C1 1770728099 NAVGUKIZPXYVBG-OAQYLSRUSA-N 444.515 1.293 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCN1CCCCC1 1771111770 WBWHFKALTGXIAQ-UHFFFAOYSA-N 429.525 1.858 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1771534163 PJNIDVJPYRSLEE-PMACEKPBSA-N 438.488 1.653 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1772566538 DMBQSHFNQAOVKV-IBGZPJMESA-N 437.548 1.475 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2=O)cc1Cl 1850793627 BSBXNZINAVJUOA-NSHDSACASA-N 433.873 1.967 30 10 IDEE C=CCN(C(=O)c1nnn(-c2ccc3c(c2)OCO3)c1-c1ccncc1)[C@H]1CCN(C)C1=O 1850862916 OHHXDOBIKMLHHE-KRWDZBQOSA-N 446.467 1.917 30 10 IDEE CS(=O)(=O)N1C[C@@H](C(=O)NCC#CCN2CCCCC2)Oc2ccc(Cl)cc21 1851276426 HUHMMCODVXBUPT-SFHVURJKSA-N 425.938 1.473 30 10 IDEE N#CCc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1 1851895733 PNSGRQOKQGTPIJ-UHFFFAOYSA-N 432.477 1.450 30 10 IDEE CN(C)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1852968436 LHUNLJHUVFIARM-INIZCTEOSA-N 428.352 1.283 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCOC3)C(=O)C23CCCC3)cc1 1856280608 PPJUJNQATRTINN-QGZVFWFLSA-N 431.514 1.657 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H](N)CCC(=O)O)sc2c1 1866019858 CWPCURLNXCCGPS-CYBMUJFWSA-N 438.531 1.790 30 10 IDEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc(O)cc2)CC1 1866867491 PHRZUFNSAYAVTD-ZWKOTPCHSA-N 428.514 1.846 30 10 IDEE C[C@@H](O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932135 VGRQDIUFQUCHAV-ACJLOTCBSA-N 426.498 1.315 30 10 IDEE COc1ccc(-c2cc(=O)n(CC(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)cn2)cc1 1889997229 VBQGRKMWEDKOQY-LJQANCHMSA-N 431.452 1.865 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CCS)C(=O)O 1984819662 KYFPYGOHDKIGJW-GJZGRUSLSA-N 440.518 1.903 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060639235 FUICUCSFZHPWPB-ASSNKEHSSA-N 430.314 1.971 30 10 IDEE CC(C)(S)[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(=O)O 2074723458 UDNCKZLUAMRCSA-SJKOYZFVSA-N 432.495 1.092 30 10 IDEE Cc1cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247851758 JMBXCWBUNCVSIU-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2255654912 FTZLHOKOARUCSY-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2255750702 OKKDCHYCYWOHFA-UHFFFAOYSA-N 446.382 1.224 30 10 IDEE CCn1cc(C(=O)N(CCC(N)=O)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255812497 IERHDJUSNBAACM-UHFFFAOYSA-N 426.326 1.720 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2255818984 TYQCMCZLVUGGLF-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCO1 2255828382 SOJWUOANPBTBTD-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CC(C)N(CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255838853 MOJXTDDSHIZRBL-UHFFFAOYSA-N 437.350 1.490 30 10 IDEE Cn1nc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2255838984 OMZCXPDIXCBGSG-QGZVFWFLSA-N 430.236 1.002 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)NC(=O)OC(C)(C)C 2255880240 BTHMDXWJJVRDQE-LBPRGKRZSA-N 437.350 1.536 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256069175 JJRQDFZAQGFRME-RDBSUJKOSA-N 430.314 1.513 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267003591 QZLINFZCWPDDIA-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2267596009 LBCHIABAEXAICN-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269063748 MZQZPUAITFTBFO-INIZCTEOSA-N 441.293 1.566 30 10 IDEE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c1 20467381 ALYYFBKFCPPNPM-GFCCVEGCSA-N 449.558 1.953 30 10 IDEE CCOc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 103061431 KKHIBYJRFPWCEZ-HFEWCJDKSA-N 444.509 1.630 30 10 IDEE CCOC(=O)/C=c1/s/c(=C\c2ccc(C#N)cc2)c(=O)n1CC(=O)N1CCCC[C@H]1C 242302347 YRPGJWIBXGTEJV-MRXNPFEDSA-N 439.537 1.355 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 303540682 HUBQODIPEPANRW-WMZOPIPTSA-N 430.505 1.729 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 410202083 OVTNKWGKHCTKIB-RYQLBKOJSA-N 433.534 1.071 30 10 IDEE Cn1ccnc1-c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 435716529 GOKJPRLGRDFDHA-UHFFFAOYSA-N 439.501 1.721 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]([C@H]3CCOC3)C2)CC1 441219294 WUSVGLBMAGDGEM-UXHICEINSA-N 446.573 1.140 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C2=O 498380781 OAXVUQDRRBRGOT-UHFFFAOYSA-N 425.533 1.949 30 10 IDEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1 501995774 VKNYOFXKEPQYKE-QGZVFWFLSA-N 449.536 1.273 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 508921485 LKQKLJCPQARCBN-RBUKOAKNSA-N 447.561 1.245 30 10 IDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 509003536 XMMYAZNQQFIVGS-UHFFFAOYSA-N 433.516 1.906 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 515649254 XNVLNAOWSBVPSC-SFHVURJKSA-N 439.537 1.269 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)s1 518215899 BCUOSQYYLAVKGJ-OAHLLOKOSA-N 445.610 1.988 30 10 IDEE N#Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)ccc1Cl 522973998 WIGSIHSPQXJNCW-UHFFFAOYSA-N 447.966 1.463 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)o1 531684354 SLZIFCOBQLZOEW-INIZCTEOSA-N 428.510 1.700 30 10 IDEE Cn1ccnc1CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 540463589 FETRAYBFORHHEM-OAQYLSRUSA-N 439.539 1.086 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc3c(c2)OCO3)c1=O 556782219 WAXVSBFGADVGAP-UHFFFAOYSA-N 448.504 1.542 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 558964337 GFHHRKMIELMALP-XIRDDKMYSA-N 425.555 1.191 30 10 IDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)CCOCc1ccc(C#N)cc1 578172652 PBWBCWKDSIYMCV-UHFFFAOYSA-N 434.500 1.925 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1 603798954 PXGUXAHRPGWIIM-SFHVURJKSA-N 439.537 1.223 30 10 IDEE C#CCNC(=O)Cn1c(C)nc(I)c1I 725538120 AXVHPPLLEUVXTH-UHFFFAOYSA-N 428.999 1.150 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)CCC2 729669872 UWAHZEZPGSLTPG-UHFFFAOYSA-N 441.516 1.284 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730143582 USXUUUHNUQDNNL-FUHWJXTLSA-N 447.605 1.827 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730144105 XLOXGEGJLNHFLT-LJQANCHMSA-N 447.605 1.829 30 10 IDEE COc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OCc1cscn1 731862279 BYJHHZLGSYMKBA-ZZEZOPTASA-N 428.470 1.987 30 10 IDEE C=CCn1c(COc2ccccc2F)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 735073660 RXRABTUPXXNGHL-CQSZACIVSA-N 441.554 1.899 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 742295651 LOHVZONEZZTHNF-PMACEKPBSA-N 432.546 1.790 30 10 IDEE N#C[C@H](C(=O)CN(CC(=O)N1CCCC1)C[C@@H]1CCCO1)c1nc(O)c2ccccc2n1 744424675 UHAJOQABJXYXNP-FUHWJXTLSA-N 437.500 1.615 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 746447119 QOEHEFFZDULHAU-MRXNPFEDSA-N 428.436 1.982 30 10 IDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC[C@@H]2CCOC2)c1 756021610 CBIYIRMSXREZJG-FVGNFYTDSA-N 428.489 1.736 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1 768417747 OEKBAXCUIKLGLZ-INIZCTEOSA-N 445.549 1.023 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ncn(C)n2)C1=O 768420488 GBDVHKOKQYZBIF-HNNXBMFYSA-N 433.513 1.154 30 10 IDEE CON=Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 780399792 AVXAQRMIIAPJIX-HXUWFJFHSA-N 438.532 1.662 30 10 IDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 796094630 DGVBZDVOCGMESA-OPAMFIHVSA-N 441.509 1.663 30 10 IDEE C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(N2CCCC2=O)cc1 803594789 SIUDVVPJHZDUNU-QGZVFWFLSA-N 446.511 1.606 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2cccnc2OC)C1=O 809944588 YWMTWHWHRXMTGV-MRXNPFEDSA-N 441.513 1.499 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)c1 856697828 KIWNDOMCNZSJEV-FQEVSTJZSA-N 434.518 1.306 30 10 IDEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2O)n1)NCc1ccc2c(c1)OCO2 1084133217 KBUZLOAYRONLCN-UHFFFAOYSA-N 442.457 1.799 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 1145056062 NOWMKBVFLDWLFV-OAQYLSRUSA-N 439.537 1.997 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NOc2cccc(C#N)c2)o1 1151432178 QJWJMIVCXPIEDZ-OAHLLOKOSA-N 433.442 1.591 30 10 IDEE CNC(=O)NC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1171622350 KWBORRNYFNWPFM-GOSISDBHSA-N 447.561 1.269 30 10 IDEE COC(=O)c1c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)sc2c1CCCC2 1176709916 MFKZNUIGUCDRAL-HXPMCKFVSA-N 437.543 1.222 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c(=O)n1CCO 1189977689 VQXCICIHUWPUCZ-FQEVSTJZSA-N 428.464 1.369 30 10 IDEE C=CCn1cc(CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)nn1 1191582511 BQSNNUOFNKKYMB-UHFFFAOYSA-N 433.534 1.932 30 10 IDEE C#CCN(C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1)[C@H]1CCS(=O)(=O)C1 1251923008 BJTWMEXFFYOMJY-HNNXBMFYSA-N 432.951 1.466 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)c2ccco2)CC1 1286490843 UGTWDDGNSVZOIJ-MBSDFSHPSA-N 441.532 1.986 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1286727613 VNVBNDLCKLKVEF-HZPDHXFCSA-N 425.555 1.050 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286787772 JISOXOVPKVZVGO-JKSUJKDBSA-N 434.541 1.925 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1 1286964636 CRLUTSIHBTZGPM-OAHLLOKOSA-N 428.522 1.253 30 10 IDEE CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1296159636 NMKWBZLVSQHGOL-OVGZCAFISA-N 443.552 1.229 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1297664484 VHVPNJJUENXUAD-RXVVDRJESA-N 448.571 1.700 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300495228 FWDJBBSZELUZIS-HOTGVXAUSA-N 433.534 1.316 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(=O)N(C)C)c1 1300553805 TVZDCMZAVNWGSF-UHFFFAOYSA-N 434.544 1.824 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)N2CCCC2)CC1 1300722067 HCKFPFSASDJOME-OALUTQOASA-N 441.580 1.069 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301041076 JSHKOLQLBHJUBM-BMFZPTHFSA-N 429.974 1.090 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CCC3)C2)n1Cc1ccc(C#N)o1 1303872494 OGKOMYJORXLSHZ-AWEZNQCLSA-N 434.522 1.408 30 10 IDEE C#CCN(C(=O)NC[C@@]1(OC)CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1313319961 SLZVSZBXEHQXAC-FQEVSTJZSA-N 443.566 1.234 30 10 IDEE CCS(=O)(=O)NCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1314562117 GOMZVMNCKVQNGQ-UHFFFAOYSA-N 446.581 1.108 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1358934201 TVBKRKCRDZVCKF-FQEVSTJZSA-N 447.586 1.698 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(C2CC2)C1 1358941840 ZPUZAPJDQSIKJQ-KRWDZBQOSA-N 442.589 1.749 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358965015 MGUMMSWPCADYLI-PXNSSMCTSA-N 436.603 1.964 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1359010286 LNFMSBULHUIHQO-OAHLLOKOSA-N 438.941 1.167 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCCS(=O)(=O)c2ccccc2)CC1 1359039252 AVRNDKQNTCJFDT-UHFFFAOYSA-N 431.562 1.434 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2cncn2)C1 1359048701 ZRAAAYLPEMVMDB-QGZVFWFLSA-N 430.582 1.996 30 10 IDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359053460 OBHJDEQDTQPMAR-UHFFFAOYSA-N 440.573 1.886 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359197722 XZFJGLARNQHOEX-UHFFFAOYSA-N 445.568 1.044 30 10 IDEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359204867 DRBDJFMNRQIMBR-UHFFFAOYSA-N 437.548 1.547 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1359233206 VXKGKLTUFGCMFA-MRXNPFEDSA-N 444.355 1.218 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359293551 TVSABJAIJUPYOG-HZSPNIEDSA-N 435.447 1.460 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](CC(N)=O)C1 1359298578 DWVRLLOLQAWWCY-MRXNPFEDSA-N 449.515 1.994 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1359300653 HNQUSDXPAQQLPB-IEBWSBKVSA-N 440.548 1.740 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1359305002 QDYSKKKALQQYAF-QGZVFWFLSA-N 445.499 1.656 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N(C)C[C@H](C)C#N)CC1 1359401912 HYVMDENIKFGKPP-QGZVFWFLSA-N 427.528 1.768 30 10 IDEE COCCN(Cc1c(C)nn(C)c1C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1450916911 WXHLFAPZLNCXLD-UHFFFAOYSA-N 447.561 1.531 30 10 IDEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1454051152 YLNXVABNHJJYHY-CYBMUJFWSA-N 429.336 1.859 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C#N 1457567378 HCEQZWMTXLESCN-ZDUSSCGKSA-N 425.880 1.950 30 10 IDEE CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)N1CCN(C(=O)CC#N)CC1 1465872368 LIZOWEUUCCJMEN-UHFFFAOYSA-N 440.504 1.645 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)c1 1466713795 YSKCFXKUCNPQNY-UHFFFAOYSA-N 431.489 1.784 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)s1 1470934262 JQJXDSDWQNAGOZ-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1471259575 NHIRGKZVFMAQAF-LBPRGKRZSA-N 441.263 1.017 30 10 IDEE C#CCN(Cc1csc(CN2C(=O)c3ccccc3C2=O)n1)[C@H]1CCS(=O)(=O)C1 1473258786 NYGDXKMMNCLMKY-HNNXBMFYSA-N 429.523 1.562 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 1475584470 AGUOOQJWDLOWLF-INIZCTEOSA-N 441.550 1.451 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1499308776 YAFUKTDOPUGKLN-LJQANCHMSA-N 435.532 1.838 30 10 IDEE CCn1cnnc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1502238267 UNWMJMTVPYRIJD-ZDUSSCGKSA-N 446.313 1.435 30 10 IDEE CN1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1503678807 IFZDAUUNZJFCMI-QHCPKHFHSA-N 438.580 1.527 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507512977 HGVOVNWSCMYANS-WIYYLYMNSA-N 438.576 1.879 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507521594 OJODVXIKEXRMLN-DOTOQJQBSA-N 447.561 1.844 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507593243 LQHBORZXVMNTCU-FQEVSTJZSA-N 428.518 1.714 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507622578 JUPLSKJBCTUCMM-HZPDHXFCSA-N 442.545 1.598 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1507634468 NLAVSLZUIWVDIU-WCXIOVBPSA-N 440.591 1.024 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507687229 LFCSHQSJWHYEPT-OAQYLSRUSA-N 436.560 1.946 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1507720723 FMJJGWRCACFLME-RBUKOAKNSA-N 434.610 1.361 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1508072718 ROKBXIORURMNIQ-LSDHHAIUSA-N 449.556 1.068 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CCC)C(=O)C1 1508074347 QCDSWYQMOXRPCU-UHFFFAOYSA-N 431.928 1.744 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1508098218 YRKOSJCSXPZCAF-CABCVRRESA-N 431.497 1.516 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2CCS(=O)(=O)CC2)C1 1508125749 IOBWIIVAEZOORM-IBGZPJMESA-N 431.562 1.870 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)CC1CC1 1513925760 XPRHGCBUHJJBGR-UHFFFAOYSA-N 429.550 1.259 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)C1 1516021311 CSOCRRIOZHOUFI-SFHVURJKSA-N 426.502 1.976 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNc2ccccn2)CCOC1 1516219759 DOSMTXNZAXQCHU-DYESRHJHSA-N 427.509 1.556 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1516860048 HCPUWXPMCQKBGV-RHWQADNGSA-N 442.589 1.742 30 10 IDEE COC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1517702045 CHQLVPKSJJVJJF-HYEKCJMVSA-N 445.524 1.379 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539211762 KXHDNIIUNNWFIF-LJQANCHMSA-N 439.541 1.749 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539218975 ARUJFZVONXTCME-PKOBYXMFSA-N 429.546 1.355 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539226526 ZUOZQRCWAUKQKZ-LJQANCHMSA-N 443.573 1.586 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C 1539238267 UTKFZPOYCLZBLC-INIZCTEOSA-N 427.578 1.570 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1539239139 IGYQQYKOXYIROI-QGZVFWFLSA-N 425.464 1.489 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1539265936 LAASXVWBVHGUFX-SFHVURJKSA-N 442.541 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2CCC(O)CC2)CC1 1539481956 QFLPTLXVJQHPLV-UHFFFAOYSA-N 442.608 1.748 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N3CCOCC3)CC2)CC1 1539874179 KCBIYSRJOPZACG-INIZCTEOSA-N 438.598 1.156 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1540034117 WUWKFZYFIHLIRN-IBGZPJMESA-N 426.521 1.854 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 1540857349 QZEWOKBMSZRRFG-QGZVFWFLSA-N 433.534 1.724 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540866219 HFTTUJVQZMBOOA-HUUCEWRRSA-N 435.550 1.514 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCn2nc(C)nc2C1 1540866539 QZCLONVNLDXTJY-UHFFFAOYSA-N 430.875 1.960 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C)cs2)C1 1540883958 HVSMLDNENPAJGG-KBPBESRZSA-N 426.568 1.483 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540907803 IXDJDEMZMFIWHJ-ROUUACIJSA-N 434.610 1.590 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3cnc(I)c(O)c3)CC2)nc1 1543555692 XXPZCCWXEDZYNJ-UHFFFAOYSA-N 435.225 1.621 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)Cc2ccc(OC)c(O)c2)c1 1545529242 HKFFNHJHJIXDJR-QGZVFWFLSA-N 431.510 1.779 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1547319902 DBHGGISZOOVWBD-SJORKVTESA-N 440.460 1.321 30 10 IDEE CCOCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1548246663 JRNUNJYZSULZNH-UHFFFAOYSA-N 438.536 1.420 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1552382867 OTHARCFJBGGXRT-UHFFFAOYSA-N 427.490 1.307 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)CC1 1554498511 XPSHKMPXWVEZJA-UHFFFAOYSA-N 429.550 1.943 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1555280132 DKRBDEYORUVEDE-QZTJIDSGSA-N 430.484 1.234 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)cn1 1555568836 FKZHHHUUMZZNOH-SFHVURJKSA-N 448.531 1.800 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1557744867 CBRGUZGRHMPIBB-BRWVUGGUSA-N 427.567 1.802 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(C#N)cn1CC 1562960193 FLBAIAXOUBVRGK-AWEZNQCLSA-N 439.538 1.692 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(N4CCCNC4=O)CC3)C2=O)cc1 1566621297 NRUCHGLKYONDKX-GOSISDBHSA-N 438.488 1.170 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(N3CCN(C)CC3)ccn2)ccc1F 1587109702 BFAKMLRRAAVJAV-UHFFFAOYSA-N 433.509 1.689 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(OC)CCOC1 1587632963 QIHXBNITSYYSEK-HTAPYJJXSA-N 425.537 1.716 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2nncn2CC)c1 1587689147 CEOUQAQFKYXNLW-UHFFFAOYSA-N 442.487 1.451 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588044850 CCMVNWGJWNFKCQ-WWMYMODYSA-N 433.578 1.707 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1588186350 WJHKGJNMWRRDOZ-HSZRJFAPSA-N 429.565 1.944 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1588645817 CJHPOTBBIKKMMR-GUDVDZBRSA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588954615 IWOSGXMWAIRGHG-GAJHUEQPSA-N 429.565 1.517 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1594943659 WBZYUUIBOWFCCW-UHFFFAOYSA-N 445.549 1.236 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1595109286 WKAOUQBTESBQED-UZLBHIALSA-N 435.550 1.232 30 10 IDEE CC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)n1nnc(-c2ccc(Cl)cc2)n1 1598566997 CZPZUYWONJOXLE-JCKWVBRZSA-N 434.909 1.341 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1611796098 SKJSSIUVDCOSTI-GWOGKKTRSA-N 430.509 1.661 30 10 IDEE CN(CC1CCCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1618082022 SDKAGTOUYJEGKN-MEUCICPISA-N 427.509 1.382 30 10 IDEE COc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1619323953 DTRMRXOGPZFUEK-GOSISDBHSA-N 428.493 1.623 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H]1COCCO1 1619913134 VCWQFDXMEKUUHP-YLJYHZDGSA-N 443.504 1.963 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COc2ccccc2O1 1620024739 KLEFOYRNOOPRMH-ZACQAIPSSA-N 429.477 1.571 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)F)c2)CCO1 1620356131 SNJRAZQVHLUODW-HZPDHXFCSA-N 437.472 1.895 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3nc(C(=O)OCC)cs3)CC2)c1 1620678368 UHCGSOIANDPAIZ-UHFFFAOYSA-N 441.513 1.771 30 10 IDEE C=CC1(CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1624617419 UNCJYYLJICTMPN-UHFFFAOYSA-N 434.581 1.956 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1633205553 ZKAIHBDACPYCOP-QZTJIDSGSA-N 436.383 1.884 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)C1 1634108861 RHFMFSPSTINEQD-QABNGEJJSA-N 426.539 1.212 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1 1640797232 JZDYKIZPMWPQEY-INIZCTEOSA-N 439.534 1.205 30 10 IDEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C1CCOCC1 1640926005 XRHTYEODTZHXOU-ZDUSSCGKSA-N 435.727 1.908 30 10 IDEE Cn1c(=O)[nH]c(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c(C#N)c1=O 1642348293 SOHWOVSADLGNQB-KRWDZBQOSA-N 446.435 1.828 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 1643888477 DMUQBWRJSLXRNT-FQEVSTJZSA-N 443.548 1.882 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(Cc2ccccc2)c1C 1647993124 HKVZYBJLWUWCDX-DNQXCXABSA-N 433.512 1.948 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1csnc1C(=O)OC 1656936282 NKRHKMIKDWYJMQ-UHFFFAOYSA-N 443.547 1.953 30 10 IDEE CCN(CCC#N)C(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1659348861 QVUYSMUNYSUWBN-ZFWWWQNUSA-N 434.459 1.602 30 10 IDEE C=CCN(C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H](C)COC 1681824616 GMHZDVZWGOSOLY-AWEZNQCLSA-N 425.507 1.063 30 10 IDEE COC(=O)[C@H]1CN(C(=O)NCC2(C#N)CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 1685656780 CMTAANVVWAFRLH-OAHLLOKOSA-N 436.509 1.358 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1689888983 WEUFCLDAZDIJOD-INIZCTEOSA-N 428.566 1.909 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1689965986 IEWJWWFTXFHRDC-SFHVURJKSA-N 429.546 1.438 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1689980853 YHFMNYBDRZYGET-GJZGRUSLSA-N 439.563 1.134 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986304 MXIGZMWBUHJCFH-SJLPKXTDSA-N 433.578 1.971 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689986405 PBEALGZHXSCXHX-IAGOWNOFSA-N 432.546 1.863 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690003261 JAHGABSJQKPCRD-ROKPMTFOSA-N 443.592 1.891 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C(C)C 1690104053 LMEZXRQVPVTKMM-LJQANCHMSA-N 427.505 1.649 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1690119879 WJKVOWCHXINDRK-UHFFFAOYSA-N 431.500 1.008 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690722351 GNEFTUIGCAMBRZ-IEBWSBKVSA-N 446.577 1.098 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690722352 GNEFTUIGCAMBRZ-MJGOQNOKSA-N 446.577 1.098 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690727216 XHDYXEYUMCHBCN-OALUTQOASA-N 447.561 1.249 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC)c2ccccc2c1=O 1695404461 INQSYTGMEDQTMY-MRXNPFEDSA-N 437.504 1.830 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)COC)CCOC1 1696056314 HTACQEKPGVGKHG-OYHNWAKOSA-N 442.520 1.748 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CC(=O)NCC(F)(F)F)cc1 1698487332 HJBVBLQIHSBSTJ-LJQANCHMSA-N 447.421 1.354 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1705482424 YUYSCIFGKIEGAB-CQSZACIVSA-N 425.518 1.393 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCCN1CCOCC1 1705502505 GRSSIHYTBHCWFS-KRWDZBQOSA-N 430.578 1.840 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)C2CC2)c1 1705505586 QOFFEWKEBAENEP-HSZRJFAPSA-N 433.516 1.896 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566295 MHCCOWCLDQNAGJ-OALUTQOASA-N 449.621 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1705595863 JBROFYWTYBWTBB-QGZVFWFLSA-N 434.500 1.316 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCC=CO2)n1 1705631370 BWIQXTRAXLGJCP-LJQANCHMSA-N 434.504 1.911 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705739389 FBDZUNOGSHTXDG-SFHVURJKSA-N 445.545 1.945 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1705830511 RIONPPIQVQMLNE-QGZVFWFLSA-N 439.582 1.078 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn2ccc(C)cc2n1 1705843459 FUUREEHAHQFLGN-KRWDZBQOSA-N 445.549 1.238 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705898262 GWVPQZGNYOISHQ-HUUCEWRRSA-N 429.912 1.543 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1nccc(C(F)F)n1 1707911429 GXDYMFSKKROFNP-GFCCVEGCSA-N 426.435 1.739 30 10 IDEE CCCN1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1709759330 XJELQKMTVIQTHK-GOSISDBHSA-N 438.536 1.776 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1711085731 QRQYGPGWFJPDCI-GHTZIAJQSA-N 445.545 1.494 30 10 IDEE COc1cccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1711918719 SPWIKBDOUSFHGW-RLBWVDARSA-N 438.488 1.705 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712266439 LKGRBSZFNVNFJR-BSBNDGSWSA-N 437.504 1.648 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC[C@H](CO)O1 1712453227 GIZDNJNUZAOYNT-DLBZAZTESA-N 429.477 1.580 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1722427299 NBWIOTWYNJHNGF-WMZHIEFXSA-N 430.597 1.997 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(COC)CCC2)CC1 1722431223 HVPRVSOFJNTBLT-UHFFFAOYSA-N 437.548 1.887 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)CCOC)CC1 1722435441 ILAFLRUOFCKIGD-UHFFFAOYSA-N 440.548 1.050 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCOCCN(C)C)CC1 1722445252 NFDZPUYJPAPRQI-UHFFFAOYSA-N 442.539 1.628 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1722459890 TVGFSEXWSFIBRO-KRWDZBQOSA-N 437.635 1.611 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722700254 CIJYYOXSAWFZKI-SFHVURJKSA-N 425.537 1.307 30 10 IDEE C[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1726739364 GHLDJDBHBBKYCL-QAPCUYQASA-N 432.550 1.475 30 10 IDEE CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1727241026 UODWNQZSTBMYRI-SFHVURJKSA-N 438.536 1.532 30 10 IDEE CCc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1727501009 UOISVSLTCIFJOF-VXPUYCOJSA-N 445.568 1.162 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1728805962 DSCMXOFIWGOBCI-YYXLPIDQSA-N 430.509 1.445 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1729745557 BKCXQJPMUSGIBC-FQEVSTJZSA-N 432.550 1.845 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1729749915 KYNRBLJAMADNCV-IBGZPJMESA-N 426.521 1.784 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C 1730749701 FRHQPZZUQBNZNM-UHFFFAOYSA-N 439.520 1.013 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C#N)CC2)CC1=O 1730779762 YRKMMIMVQTZBIB-KRWDZBQOSA-N 443.577 1.869 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1740533167 PSSSHWSDRKDMLH-IAGOWNOFSA-N 441.561 1.639 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1740619917 MWXWPVMRUCHCQS-GOSISDBHSA-N 432.546 1.743 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1740625967 QUYRIVIOMLVTIG-QGZVFWFLSA-N 432.546 1.923 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740690584 KRJKVIUDVDXVJC-PMACEKPBSA-N 449.559 1.563 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c(C)noc2C)CC1 1740700530 CCVZEQOGXWWOIT-UHFFFAOYSA-N 441.536 1.230 30 10 IDEE CC(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1741295206 BCPAADBYNNVAKD-GOSISDBHSA-N 444.561 1.460 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1746134728 GLIIUNFSTNJTME-UHFFFAOYSA-N 437.548 1.332 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817075 DRUKCXBYRRMZSZ-ZWCUEREDSA-N 444.557 1.316 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1748940822 RLSVIWFUQJFDCS-OAHLLOKOSA-N 435.525 1.582 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1748968704 ITVQIUAZIWRRER-KRWDZBQOSA-N 448.568 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1748989228 JDSGXAILUFGUMF-OAQYLSRUSA-N 436.560 1.725 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749120052 ZRSMDKTUEOIAMT-VXNCWWDNSA-N 442.520 1.757 30 10 IDEE C=C(C)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749208005 XKVIMVULGZZQLC-VXKWHMMOSA-N 446.552 1.709 30 10 IDEE C=C(Cl)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749284810 ONDUDESOHHAVJO-KRWDZBQOSA-N 433.962 1.153 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC[C@@H](C2CCC2)C1 1749650397 VPTDLQKQGUVDQB-KRWDZBQOSA-N 432.569 1.752 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749650569 BSNFPLYTPFTUOS-HOTGVXAUSA-N 425.493 1.090 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749681143 XUXJCSILDXEVOU-QGZVFWFLSA-N 433.534 1.091 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760188750 CTPUABRTOQYZNY-QGZVFWFLSA-N 442.570 1.704 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(F)c1 1760242456 DCUYRSIGZSQYPL-UHFFFAOYSA-N 429.496 1.991 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC1(C(N)=O)CCOCC1 1760245624 JYMPZPADPVSNGL-UHFFFAOYSA-N 448.527 1.861 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1760252380 FDAGZRVZYPAWQY-QHCPKHFHSA-N 427.549 1.627 30 10 IDEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1760442471 BGCWFCIGCKBSHG-HXUWFJFHSA-N 437.592 1.921 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1760445375 IANYAZISUCXHAX-UHFFFAOYSA-N 440.552 1.532 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1)C1CC1 1760476724 FAZZGZSEGCNVLY-GOSISDBHSA-N 432.550 1.404 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1 1760549198 YPMFQKWQSOTLFO-HNNXBMFYSA-N 435.550 1.920 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1760803561 HVAAJAHXTYEZFY-HNNXBMFYSA-N 443.595 1.133 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1763401730 HRDWAOJEUDVXDA-GRWTVWFQSA-N 440.548 1.955 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1763721586 BFOKBUZTGWCELX-PMACEKPBSA-N 425.472 1.914 30 10 IDEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1766532602 CLPLUPZNQOVCTI-GOSISDBHSA-N 441.511 1.993 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1768930730 CKMZWAYPNCSDKH-ZQHDKMAOSA-N 429.546 1.907 30 10 IDEE COCc1nocc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1769390496 RKIXGPMJJBSYHY-AUUYWEPGSA-N 434.522 1.493 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C[C@H]1C 1769899609 GCUSDHCYJVXZAV-JPYJTQIMSA-N 440.548 1.779 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)CCO1 1770746498 AOPWNLQWSHGQAY-GJZGRUSLSA-N 437.472 1.430 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCSCCCO)C1 1771530434 LBHZJMZWZDWSCR-GOSISDBHSA-N 438.554 1.827 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1772566828 HKDPQRUXURYVIX-SFHVURJKSA-N 443.596 1.371 30 10 IDEE O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)ON1C(=O)c2ccccc2C1=O 1772789493 ICGRRZQIIJUFIL-UHFFFAOYSA-N 428.344 1.738 30 10 IDEE C[C@@H](Cn1cnc2c1CCCC2)C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1852760786 YETKNLQONHCXNC-INIZCTEOSA-N 432.532 1.927 30 10 IDEE CN(C[C@H]1COCCO1)C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1853053904 GWWSTLQSOLRYRU-PZJWPPBQSA-N 443.525 1.322 30 10 IDEE C[C@@H]1CCN([C@@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855419556 FGNYZQAYVHGHHB-YLJYHZDGSA-N 431.558 1.908 30 10 IDEE COc1ccc2nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc(O)c2c1 1858571737 KNSGIFZKCZYTDB-UHFFFAOYSA-N 425.470 1.727 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867832427 CPCFYOZUNWNSFX-IAGOWNOFSA-N 427.373 1.283 30 10 IDEE CCOc1ccccc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O 1870104002 MDKIIKNLERKZOH-UHFFFAOYSA-N 429.440 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2010399217 QVOSDPQDIGYWLF-ZIAGYGMSSA-N 425.335 1.840 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010522169 VDVOGSQDEWOBLH-XXBNENTESA-N 428.533 1.842 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060635909 QONIWIHZRLWEOL-UONOGXRCSA-N 434.302 1.085 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073753787 FUDDYTWOGDUEPA-SZNDQCEHSA-N 437.346 1.712 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2136171979 MSXCKVGTVIWOKR-MJBXVCDLSA-N 426.267 1.600 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 2247961659 HXELMUMDTSKOHY-YPMHNXCESA-N 440.293 1.893 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248416083 LSYDVRLZXMJGBI-YPMHNXCESA-N 441.359 1.333 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255595486 IYQDHZBXVGOYRK-ZDUSSCGKSA-N 438.334 1.057 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2255655301 KNJPJDCCVSMWGX-CYBMUJFWSA-N 437.277 1.801 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2255875789 DSEIGLYDBHBJKH-ZDUSSCGKSA-N 435.334 1.244 30 10 IDEE Cn1cc(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267171196 GQTDLIVGVISKPY-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267271199 QMSKGPNXFDLIEC-DLBZAZTESA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](C(=O)O)C1 2267290252 AIZGNDMSKAYNKF-OAHLLOKOSA-N 449.313 1.460 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2267878635 AMOJVKPURCXGOE-GOSISDBHSA-N 433.321 1.626 30 10 IDEE C=CCO[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270523204 SLYRCFHNSWVVLT-SJORKVTESA-N 426.491 1.363 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2312856369 JEYIUFSIKIBTJP-QEJZJMRPSA-N 430.314 1.513 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2337206261 KYNHWQIRBGYBMN-RBSFLKMASA-N 446.357 1.847 30 10 IDEE Cc1ccccc1CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445521 NIMJXZHUXSCVDS-UHFFFAOYSA-N 426.542 1.532 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cn1 59913963 ZDEVLTRXXDUKFQ-AWQFTUOYSA-N 429.510 1.320 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 427166107 AKNVXNGQQTUGCL-PKOBYXMFSA-N 434.562 1.328 30 10 IDEE CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2c(Br)cnn2C)c1=O 447283629 VWUXEXPCRYRKKI-UHFFFAOYSA-N 443.326 1.812 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1)c1ccccc1 488122474 VOOCTEDVLNHRER-LJQANCHMSA-N 446.532 1.650 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 507382742 RCNXPLWIZZINIG-BFWZDYSYSA-N 435.550 1.660 30 10 IDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508901112 DQZNHBMIRIMFBN-QXATTWAWSA-N 426.473 1.993 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 508937387 CHGLUILZUAYZGX-GOSISDBHSA-N 449.581 1.397 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546903385 HSOLSYZUMAKGOR-AWEZNQCLSA-N 433.921 1.622 30 10 IDEE C=CCOc1cc(NCC(=O)Nc2nc(C)c(C(=O)OC)s2)ccc1-n1cnnn1 586268057 DFHPOYFDERMVKX-UHFFFAOYSA-N 429.462 1.829 30 10 IDEE N#Cc1ccc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c(F)c1 609239073 BCXJLSVPOSNLRE-UHFFFAOYSA-N 446.504 1.859 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 609739142 BUAGLNUFFZXALN-MRXNPFEDSA-N 427.501 1.318 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)[C@H]1CCS(=O)(=O)C1 729335992 YWYJLIBVBJPYAO-MSOLQXFVSA-N 438.571 1.045 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 734293882 RWVITHONACDGTD-UHFFFAOYSA-N 441.918 1.646 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 742285983 STBAOYVRBQFMAK-UHFFFAOYSA-N 430.280 1.507 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 746164706 HFLDPBWXJSQXCU-MRCUWXFGSA-N 430.892 1.470 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 765905139 NHTJETBNBBCSFD-YXJHDRRASA-N 433.486 1.169 30 10 IDEE CCOC(=O)[C@H]1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 765969022 NGGDVOBNGUJUSJ-RDJZCZTQSA-N 435.546 1.942 30 10 IDEE CC(C)(C)n1nnnc1COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 766170020 NIYPKTQKCYTPSA-UHFFFAOYSA-N 432.506 1.444 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@H]1CCS(=O)(=O)C1 774191356 HGUKIEXXKWWZSM-CVEARBPZSA-N 425.938 1.759 30 10 IDEE C#CCN(C(=O)N[C@H](CC)[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 774240517 KEDRNXZKGUARHF-HBMCJLEFSA-N 433.574 1.498 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCO4)c2=O)c(C)n1 781664366 RTQINCYGDCKLLR-UHFFFAOYSA-N 432.461 1.675 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)n1 788824169 IBCXRLRXHPBFHK-UHFFFAOYSA-N 425.308 1.589 30 10 IDEE C[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)n1cnc(C#N)n1 798353222 COBOKHDPKQBCQE-URXIRXLPSA-N 440.441 1.292 30 10 IDEE N#CCn1c(CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc2ccccc2c1=O 805787372 NTDZDKAVEVBGTN-SJORKVTESA-N 429.480 1.929 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 809392800 HDFQIPQKEHXBHY-PFONDFGASA-N 443.254 1.265 30 10 IDEE COc1cccc(C(=O)COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 811031247 YNURICSFPPMPJN-MRXNPFEDSA-N 445.497 1.970 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2c3c(nn2C)CCCC3)C1=O 812221423 LIZAGYOLVROLBN-NWIBBQCFSA-N 440.573 1.873 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 813561678 LNTLNZRKZPHHDM-RDJZCZTQSA-N 433.578 1.437 30 10 IDEE CN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2C1=O 916179875 FXDWGLVISONRMD-UHFFFAOYSA-N 437.355 1.922 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](O)CC(C)(C)C3)nnc12 1161735741 DKKBBEWBYHHBSR-AWEZNQCLSA-N 427.530 1.942 30 10 IDEE CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 1211970566 DVRQTMQTUZTPKR-UHFFFAOYSA-N 445.466 1.009 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1227985464 CEIMKZRRJKYFAD-ZFWWWQNUSA-N 446.367 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1286277983 JYFOZWRYKQBWGD-KBPBESRZSA-N 431.522 1.102 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286363656 QQWRGOLNCWTVHL-JTSKRJEESA-N 429.496 1.483 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1286466195 DZBUPRJOOMWDAF-VQIMIIECSA-N 432.546 1.368 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2COCCO2)n1 1286472454 YBDLRSBTWSDZIV-AZUAARDMSA-N 444.536 1.070 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1286484544 MBWKQPLYNFXSTR-UHFFFAOYSA-N 434.529 1.692 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1286486039 GBQLUYHGCCCVEE-WAIKUNEKSA-N 426.565 1.768 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(OCCOC)CCOCC1 1286514714 NJFHXLBGXKYWIC-OAQYLSRUSA-N 433.553 1.621 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1286767991 MXLLHVVJYJPZGB-UHFFFAOYSA-N 446.552 1.755 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286777791 LRJCIPDWLNREGT-HSZRJFAPSA-N 446.596 1.641 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1291325293 HMJIKYRZVXKIGE-OPAMFIHVSA-N 425.537 1.709 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1295173561 DINADQGQVBFSJI-MRXNPFEDSA-N 426.506 1.007 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)Nc1ccc(F)cc1 1300553250 AGSWMPCJHJXUPV-JXFKEZNVSA-N 425.464 1.853 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(S(C)(=O)=O)CCC2)CC1 1300701361 PTTUIJDOTWCDPK-UHFFFAOYSA-N 441.601 1.900 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1300879181 BLDWUNOVTYORFM-YJBOKZPZSA-N 434.566 1.673 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1300989811 GUMZYEPFXPQHPA-KRWDZBQOSA-N 443.570 1.514 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(C)(=O)=O)C1 1301543540 LYENLCYLFTXJJU-ZDUSSCGKSA-N 444.355 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1 1301589483 SZYQKPCQXGDVHO-OAHLLOKOSA-N 433.525 1.160 30 10 IDEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C)C2)cn1 1301854915 AJFPFPFZAQGOOJ-KRWDZBQOSA-N 437.504 1.845 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1301973194 BYVYJTAHHPULFY-MRXNPFEDSA-N 439.545 1.750 30 10 IDEE O=C(CCCN1C(=O)CNC1=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304253006 UKIQSOWMQXFZQW-HTQZYQBOSA-N 437.287 1.948 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCC[C@](C)(C#N)C3)CC2)cc1 1312978324 ULLNWXFLDFYXIB-OAQYLSRUSA-N 449.577 1.482 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1313039051 FCYFKCFPMIPQAD-LJQANCHMSA-N 437.548 1.715 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC(C)C)CC1 1313491694 HTLOMCPAZUJBKX-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cnn(CCC#N)c3C)c2)CC1 1355662061 BEZLVTKVJSFGOC-UHFFFAOYSA-N 430.534 1.684 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1358914699 DCGBSNAOLNTQHC-UHFFFAOYSA-N 436.607 1.909 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1358975152 DYULMVQEFZWUBH-UHFFFAOYSA-N 434.525 1.712 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2nccs2)CC1 1359303888 DKWSIRNTIPRNQV-UHFFFAOYSA-N 429.550 1.543 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCOC1 1360237358 BXOFYIQTHUXIBZ-GOSISDBHSA-N 438.536 1.436 30 10 IDEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cccc(C#N)c2)c(=O)n1C 1361261512 DOFQCOKTGZYHTR-UHFFFAOYSA-N 433.516 1.980 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC#Cc3ccccc3)CC2)cc1 1437451144 JDNSTDQAOYIORT-UHFFFAOYSA-N 441.553 1.705 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)CCS2(=O)=O 1439954783 WEOXXWXCTWELGR-OHTSDLOESA-N 436.555 1.807 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 1443536372 NGJUGLIUDCGCPJ-ATGHGOICSA-N 444.491 1.896 30 10 IDEE COC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CCC[C@H](OC)C1 1452760339 XCYNQXNDMNPUHK-UWWQBHOKSA-N 437.518 1.274 30 10 IDEE CNC(=O)CN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1456040413 MLMHCMLJBWKQEW-PSCUFVCCSA-N 433.553 1.054 30 10 IDEE COC1(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CS(=O)(=O)C1 1463155811 QYPHYCUIUIVYML-KNVOCYPGSA-N 431.301 1.429 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cc(C#N)ccc3O)CS(=O)(=O)[C@@H]2C1 1466536778 IOUOCJYNRJWHCQ-CKEIUWERSA-N 435.502 1.873 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1470583942 RVZRHODKAUWXFY-FHWLQOOXSA-N 430.553 1.142 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(C(=O)OCC)CCCOC2)s1 1470686166 QVJPTYLPFNRTSL-SFHVURJKSA-N 430.548 1.231 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC 1471013272 OYNZMPHLQIRNDH-OLZOCXBDSA-N 438.930 1.211 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)C[C@@H]12 1473651502 XWLZTNSQVZVDJD-OTWHNJEPSA-N 434.562 1.774 30 10 IDEE CCn1cc(CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1502223702 GZAQWSRVEUOACE-FMQUCBEESA-N 426.525 1.856 30 10 IDEE CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1502841018 DRHXYSRCJXQYMR-RHSMWYFYSA-N 434.522 1.064 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503640622 OTRNCJBSZFMMBT-QBEKEKFNSA-N 437.504 1.406 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)C[C@H]1O 1503880487 BRAVLAFCNCDTRM-UYAOXDASSA-N 447.499 1.518 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1505018589 FZJPSSFNJYQXBG-QGZVFWFLSA-N 448.474 1.830 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F 1505066158 PJNNVDOKMLHSLP-ZFWWWQNUSA-N 430.431 1.421 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(OC)OC)c1 1507516094 JSTHNWFVFBALQB-HUUCEWRRSA-N 435.550 1.686 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CSCCS1 1507704082 ONNODVXDMHTGNU-LPHOPBHVSA-N 426.608 1.865 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)no1 1507711118 OFGZTVQSXJONQY-UHFFFAOYSA-N 436.520 1.883 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)COC(=O)N2 1507965167 CPZMYIILKNDGFC-IRXDYDNUSA-N 435.525 1.674 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2F)CC1 1508080891 SQPXEUZTUKFEDS-UHFFFAOYSA-N 442.474 1.586 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1508084026 FMVZQXJBBLDZHE-KRWDZBQOSA-N 439.545 1.909 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508140861 JZKFQAWGTZTCMK-UHFFFAOYSA-N 445.611 1.008 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1508154573 BNNALLLFRFNEIA-MRXNPFEDSA-N 444.609 1.387 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccncc2)n1C[C@@H](C)N(C)C 1510102972 DGWBMEVIHDFQLF-MSOLQXFVSA-N 446.563 1.591 30 10 IDEE CCCCN(CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1514444688 LSUBUUUYYDQCFP-ZPHPHTNESA-N 429.525 1.667 30 10 IDEE COc1ccccc1-c1nnc(N(C)[C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1518423065 XBRBGMVTVZVNHU-APFMSCDFSA-N 438.488 1.705 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1OC 1519500061 BKQFIUPRLDFIFV-KGVIQGDOSA-N 440.504 1.057 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCOCC(F)F)cc1 1521110109 JYFYWLJMHQFCKQ-UHFFFAOYSA-N 439.488 1.969 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1539453422 KUJAIBIOTQSIBF-UHFFFAOYSA-N 443.555 1.769 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NCCC)CC1 1539459603 LKVBZTJPZBYDET-UHFFFAOYSA-N 435.532 1.400 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539758567 KCZOMUYHXNXIBS-UHFFFAOYSA-N 428.541 1.648 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1539803167 GBFUFPSQJHPBEG-OAGGEKHMSA-N 445.973 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC2(CC1)CNC(=O)C2 1540905681 YPVZBDSNONUAHM-UHFFFAOYSA-N 449.602 1.638 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)CCN2CCOC(C)(C)C2)nnc1C(C)(C)C 1540908979 UABFDURYDDXOSP-UHFFFAOYSA-N 427.615 1.723 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1540910135 YTQHPWOYSDFHIO-INIZCTEOSA-N 430.644 1.728 30 10 IDEE CCOC(=O)C[C@H](O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1542096588 QZEMFYOTFYVCGD-SEPJKUCUSA-N 425.507 1.532 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1552885004 HIYUNMGKVRKWRM-GOSISDBHSA-N 446.577 1.959 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)Nc1c(C)cccc1C 1555671659 RMBNENTZPKPOQU-ZWKOTPCHSA-N 442.520 1.986 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1555992801 BXPNHVCXONFFHY-OALUTQOASA-N 445.545 1.863 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1557387898 ZUOLONGENGAOIH-QGZVFWFLSA-N 447.557 1.943 30 10 IDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1559023818 KOZHHLOVJMMQTQ-HXUWFJFHSA-N 437.518 1.043 30 10 IDEE O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O 1559817610 GXVVCUYHMDASFS-MSOLQXFVSA-N 425.485 1.656 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1587562114 LKKZLYVIKMOTTI-GJZGRUSLSA-N 433.534 1.556 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1587707221 YDGLBWVZYSZAIC-GVDBMIGSSA-N 425.555 1.076 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1587921631 DCLVGURKWWKCAE-FQEVSTJZSA-N 429.912 1.938 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1588050841 VURATXHHWAWUSR-MRXNPFEDSA-N 446.483 1.632 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1588138964 JZIUNWYGCIMSKC-GOSISDBHSA-N 440.548 1.744 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1588158489 DCROULVVWZSUSS-KDURUIRLSA-N 426.565 1.361 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1588185877 PAGBTSJEVAWTFA-GOSISDBHSA-N 427.427 1.072 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2CCN(C(=O)OC)CC2)CC1 1588955048 OSQOQLVWWXNVQP-UHFFFAOYSA-N 442.564 1.675 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@H]2OC)CC1 1588962308 ZBNMPUSXVMEHCY-RBUKOAKNSA-N 442.564 1.181 30 10 IDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2nnc3n2CCN(C)C3=O)cc1C 1594082326 UPGHGTDIHQHJIL-UHFFFAOYSA-N 446.515 1.730 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCOC2)CC1 1594097277 PSGRRUHTVWSUQW-HTAPYJJXSA-N 449.552 1.894 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@@H]1C 1595283538 RJFVKPARMJXWNJ-OPAMFIHVSA-N 430.505 1.895 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1595844883 IZWGFJMLJODKSI-ZIAGYGMSSA-N 440.599 1.278 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C)[C@H](CC(=O)OC)C1 1596383787 FHODUCOTGIGIGY-INMHGKMJSA-N 435.546 1.942 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2ccccc2[C@H]1CO 1597388307 ZEAQFAFKYOURTJ-QGZVFWFLSA-N 429.498 1.460 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1603273179 WZTSHPITVIJKMT-QFIPXVFZSA-N 431.464 1.964 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]4[C@H]3CCCN4CCO)CC2)cc1 1603335701 IQXWUMWXOOZPIZ-LEWJYISDSA-N 446.573 1.017 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCn2ccnc2C1 1611673684 ONXJHZCVUMAPJZ-DOTOQJQBSA-N 446.581 1.477 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1611766976 FKKNPRZHJKQGBV-DYESRHJHSA-N 444.561 1.802 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(OC)nc1OC 1614025083 DRHOZNUWEAXJLJ-UHFFFAOYSA-N 434.504 1.894 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(Cl)nc2)CCO1 1618688532 BQOXHWRAQKLPOK-KRWDZBQOSA-N 437.891 1.865 30 10 IDEE CNC(=O)CC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1618724217 MGYDDZUJCNUXBV-QZQOTICOSA-N 441.536 1.110 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)cc1 1619239328 ATXJKBHDLDZIHK-HXUWFJFHSA-N 441.532 1.732 30 10 IDEE COCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619846968 GKGAFCWJHCCLGA-SJORKVTESA-N 426.525 1.585 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 1624394801 HUUGKZUZCWIPNS-SFHVURJKSA-N 430.530 1.756 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)NCc3ccccc3)n[nH]2)c1C 1624753986 LYUHFQGOTVAQDV-UHFFFAOYSA-N 442.545 1.925 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1632204778 NUNOOSYKNIDUGZ-UHFFFAOYSA-N 427.526 1.881 30 10 IDEE C[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC(c2cccc(Cl)c2F)=NO1 1637513285 MDIIXFNVLJLVFW-LJQANCHMSA-N 431.811 1.580 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1637890862 PVLJBIZFFJCIMG-MRXNPFEDSA-N 437.537 1.696 30 10 IDEE O=C1N[C@@H](CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C(=O)Nc2ccccc21 1639054374 JSPDQXLESBZNPF-KRWDZBQOSA-N 436.424 1.031 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)CC1 1640201594 KMNMPAIIOSETCX-UHFFFAOYSA-N 446.433 1.746 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1641702081 BIQSDAJQNBTANE-KSFYIVLOSA-N 446.479 1.909 30 10 IDEE Cc1ccc(CN2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N 1653708281 UTJWNCOQISCQIX-UHFFFAOYSA-N 434.562 1.933 30 10 IDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)[C@H](O)c1ccc(C#N)cc1 1653717288 PIBJCUDWRRBPQV-QGZVFWFLSA-N 440.504 1.895 30 10 IDEE C#CCOc1ccc(CNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 1669083129 WIMCZXCRVPLUGH-CALCHBBNSA-N 425.489 1.853 30 10 IDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1670316939 VMISVNADPKJLPS-NSHDSACASA-N 432.340 1.851 30 10 IDEE CC1(C)CC2(CO1)CC(NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1676580510 GOQSGJSFCYOBRO-UHFFFAOYSA-N 432.546 1.922 30 10 IDEE Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)C2=O)n1 1678084032 BHOPUEDRUFFSPF-QGZVFWFLSA-N 425.468 1.458 30 10 IDEE COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1681426800 WWPDXTUCZXLKPB-SNVBAGLBSA-N 448.277 1.919 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCOC 1689832137 XHJIPQZVSXQYOS-OAHLLOKOSA-N 434.566 1.668 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689996200 FATYXENXIKXUJF-BEFAXECRSA-N 438.575 1.411 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1690001543 MALFBIMIBRSGMY-WWDZGPRUSA-N 435.594 1.945 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1690019249 DRRNFNOMYHMION-KRWDZBQOSA-N 428.514 1.319 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)cc2)CC1 1690124692 REGZPNUOQNEALM-SFHVURJKSA-N 447.992 1.832 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)cc2OC)CC1 1690152679 UNTPMPSCWLNGOZ-UHFFFAOYSA-N 441.532 1.846 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC)CC1 1690238635 LVVDWCNXLDVQDL-KSZLIROESA-N 437.541 1.872 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC)C1 1690255578 SVDANAOUBHSKLZ-SLHNCBLASA-N 447.580 1.946 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1696492648 ADYAWDBIKXPNLP-UHFFFAOYSA-N 444.521 1.100 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1697780040 OJYLLDRJPOZHCZ-RDJZCZTQSA-N 445.474 1.551 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1=O 1698087623 IEEKXGYPOVKYOT-PKOBYXMFSA-N 438.532 1.927 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cc(F)c(F)c2F)CCO1 1698490857 KKNVHNAQEIKCCB-LLVKDONJSA-N 438.385 1.848 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1705491641 GEORNKHOICTJEP-MRXNPFEDSA-N 445.531 1.452 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705538458 PHWLHQPZHPMRLN-QFIPXVFZSA-N 449.559 1.163 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NC2CCCCC2)CC1 1705641026 NOKUCYFBGTUZLO-UHFFFAOYSA-N 435.576 1.858 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCn1ccnc1C 1705668378 KBPXQEOBWZDRTJ-OXJNMPFZSA-N 433.582 1.866 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCS(C)(=O)=O 1706315573 DPIUKHNWITYUDV-HNNXBMFYSA-N 432.554 1.213 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1708257976 SXJVGBOMHFNQEX-DPHDRGAJSA-N 426.452 1.836 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(NC(N)=O)cc2)CCOC1 1710456957 IAIJRPUCBNAYSE-NHCUHLMSSA-N 443.483 1.911 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)C[C@H]1O 1711463598 LOXDGVCZMIXWTL-IEBWSBKVSA-N 443.504 1.514 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1722279492 UEIVZYCPQHNTEA-PWSUYJOCSA-N 434.298 1.482 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722314601 BIFPXGCDFUZXGF-GOSISDBHSA-N 427.553 1.759 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722319952 VPEWNZDVXTVLEN-UHFFFAOYSA-N 444.543 1.888 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)CC1 1722325291 IISPKVODCAOWKI-UHFFFAOYSA-N 444.561 1.277 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722337577 FEJJETFBOLSYSK-UHFFFAOYSA-N 437.552 1.957 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722362486 UXXXBZHPJPKCGM-KZNAEPCWSA-N 431.562 1.461 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1722373470 NOXPJCAEGNTHRF-CQSZACIVSA-N 435.937 1.671 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCOCC1 1722423653 LGGIGADHQKIPQY-QGZVFWFLSA-N 427.505 1.481 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCCC)cc2)CC1 1722440506 JWDMMNIZOBWUGT-UHFFFAOYSA-N 436.560 1.993 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1722442062 WRDKEJAQQXJJQO-RDPSFJRHSA-N 439.560 1.769 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722442205 PKIIDCKGIFJCMQ-FCHUYYIVSA-N 439.560 1.769 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1722630047 UFFVFLQVJYBLRS-ULQDDVLXSA-N 439.582 1.296 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722727564 PGGFMVJXAAHJCS-GOSISDBHSA-N 428.580 1.161 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C#N)C1 1722730199 LDDAFACNYIXVMG-LJQANCHMSA-N 445.545 1.804 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1722862707 DUCXFJLPCJBWBV-CABCVRRESA-N 433.538 1.513 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1727007693 CSYLEILIQJJMMC-INIZCTEOSA-N 445.531 1.927 30 10 IDEE CO[C@H](C)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1729844145 PNKJCJXMTGRPKJ-IVZQSRNASA-N 442.520 1.889 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1729907536 HDUFYLCXYRTUMQ-ZIAGYGMSSA-N 426.468 1.656 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nncn2CC)CC1 1740693335 YJFQQEXKXSLLPM-UHFFFAOYSA-N 436.520 1.377 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740747205 BMVARBQIPPBYNV-LSDHHAIUSA-N 434.342 1.763 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740792132 UYGXNVUWEGVTJS-UHFFFAOYSA-N 427.553 1.579 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740884199 SPUSAGREGYLYEQ-INIZCTEOSA-N 447.561 1.608 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CC(OCC)C1 1740903309 SXKXSVGWTRQPIJ-UHFFFAOYSA-N 432.569 1.293 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1741723797 MQZXROUGTTWONK-FCHUYYIVSA-N 432.569 1.515 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1741729097 MTJIFDWYEJVXJN-KSFYIVLOSA-N 442.520 1.923 30 10 IDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1744705070 CKBRUZYZHOEYKI-SFHVURJKSA-N 436.520 1.023 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1746054330 PYLNVVALPQOUHX-UHFFFAOYSA-N 435.492 1.832 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC)C1 1747433028 JTNJYSOBXWANFR-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1747814378 ZNZKMYXVEUWDSU-UHFFFAOYSA-N 447.536 1.941 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1748697796 NQQQUWMYLMZNHZ-OAQYLSRUSA-N 441.624 1.922 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1748857868 GVJBGIAPYXTKGK-SFHVURJKSA-N 447.948 1.386 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749221024 WSSAOEXHZVUHQX-UHFFFAOYSA-N 434.566 1.793 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1749229891 QNBOFYALLDQCHW-QZTJIDSGSA-N 441.598 1.686 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749285016 RYVNJDYPJPGTEA-OAHLLOKOSA-N 442.929 1.522 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1749487414 CYQQCIUWPOBGOQ-INIZCTEOSA-N 427.477 1.560 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749670335 PYPXUUBQLXBVEG-QZTJIDSGSA-N 429.525 1.616 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1760136921 DACFOULFLHKDED-ZWKOTPCHSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C)n(C)c1=O 1760204719 ABMPYYXNRZZTCS-UHFFFAOYSA-N 425.496 1.645 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1760209500 DYPWZWWKXBEPOZ-KRWDZBQOSA-N 441.557 1.725 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1760261285 NHDHKNSYEQKQQH-UHFFFAOYSA-N 448.531 1.074 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760358541 VZXOEXAMYNBZIA-OAQYLSRUSA-N 431.562 1.872 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760444279 BZRZRDDILQKGMJ-QFIPXVFZSA-N 448.568 1.471 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760527571 ATUZPMOBMKMJTO-JKSUJKDBSA-N 431.424 1.413 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1760854364 LUTBXGZXZQCSIU-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1762424870 LLRANGLDGLIIRB-GOSISDBHSA-N 442.568 1.921 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C 1765519313 FPEQPGCJZCOBAK-INIZCTEOSA-N 428.562 1.924 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766561469 SKQOJMVVAFVOIX-QUCCMNQESA-N 443.596 1.997 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1766742398 UYRQEOZNWYULGI-JPZYQRIQSA-N 442.589 1.886 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1768546278 ZVCXCLNISCZICY-IBGZPJMESA-N 426.546 1.702 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1768750784 NVENCSOILGRIBG-UHFFFAOYSA-N 447.536 1.941 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1769994637 KVYBLMKZRADJDA-KBXCAEBGSA-N 429.518 1.269 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 1771304965 OSYYVUJOYMBCNR-JLEJFLCFSA-N 427.505 1.639 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCN(C)C1CCCCC1 1772845275 SSGVFVNTDBBAPS-INIZCTEOSA-N 437.614 1.893 30 10 IDEE C=CCN1C[C@H](C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)CC1=O 1850203078 PRAIAMRBWZTWDZ-GOSISDBHSA-N 434.500 1.100 30 10 IDEE Cc1nn(C)c2nc(N3CCN(C(=O)c4cnc(C#N)nc4)CC3)cc(C(F)(F)F)c12 1851490719 INXFBIRYWOXFDF-UHFFFAOYSA-N 430.394 1.920 30 10 IDEE CC(C)[C@H](C(=O)N(Cc1ccc(C#N)cc1)c1cnccn1)N1CCS(=O)(=O)CC1 1851740869 XTEUGNSRYKRVEQ-HXUWFJFHSA-N 427.530 1.636 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)cc1C 1854642132 NWZQXKDRIZSTNA-OAHLLOKOSA-N 427.482 1.937 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C(=O)C1 1855396360 UJFYHOUWUMYQSF-CYBMUJFWSA-N 431.967 1.802 30 10 IDEE COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@@H]1C 1855909168 WHLFDIHTQDJDMS-ZDUSSCGKSA-N 431.445 1.768 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)C4CCC4)ccc32)CC1=O 1856778912 UNXAQZYXTVZSHR-OAHLLOKOSA-N 431.514 1.310 30 10 IDEE CCOC(=O)[C@H]1CCCN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C1 1868783461 RLPXDSUHBWSPAN-ZWKOTPCHSA-N 446.573 1.943 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc2c(c1)OCCO2 1874432618 PDAURPYOBJXUMH-LSHDLFTRSA-N 432.506 1.186 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCc4c(ncn4C)C3)CC2)CC1 1889303361 LNMRDFTVDFNBKM-OAQYLSRUSA-N 441.620 1.562 30 10 IDEE CN(C)CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1889753859 LZKAHIMYUYAKNP-KRWDZBQOSA-N 442.379 1.674 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1891961617 QAIUPXUZKZRKPR-MRXNPFEDSA-N 449.467 1.747 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc(I)n[nH]1 1985069174 PIJJNZVQZZNTKH-SNVBAGLBSA-N 430.246 1.748 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085655858 BORAFRFMOHQWTH-LSDHHAIUSA-N 433.314 1.859 30 10 IDEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NS(=O)(=O)c2ccc(C#N)s2)CC1 2174786050 GARPPIMPONFOKJ-AREMUKBSSA-N 434.565 1.874 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 2243273696 DWMRYMJPYQSVSA-UHFFFAOYSA-N 425.526 1.639 30 10 IDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243434783 FELHSLJOZFPCQJ-UHFFFAOYSA-N 448.372 1.782 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255857812 KOAOWJZUEMWUBB-MTERUZRBSA-N 440.346 1.316 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255874523 MBQFLKJWVYNXSI-UKRRQHHQSA-N 432.330 1.904 30 10 IDEE Cc1nc(S(=O)(=O)N(CCCO)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255943451 STTYREATMVRFOU-UHFFFAOYSA-N 449.382 1.601 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2259925497 DVFZMIBQEBPSSD-ZSEKCTLFSA-N 432.330 1.696 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267184387 UVWALAGUYRNVCO-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE CN(C[C@@H]1CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2267266079 NEIZIXNHLXNSDJ-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267269411 DLMZGNFIMFZTKL-GFCCVEGCSA-N 442.247 1.307 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2267523575 DNIRFYGMCZZAJO-SFHVURJKSA-N 444.263 1.485 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(Cc2ccccc2)C1 2267543647 IXCOWPGIQKPTGO-SFHVURJKSA-N 439.369 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267587606 ZKVQSZUXZDXBGU-QFIPXVFZSA-N 447.341 1.483 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267596833 QRCOBUVOVJWLLT-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267603715 AYSUUHARIMFLBM-ZIAGYGMSSA-N 449.361 1.347 30 10 IDEE N#Cc1cccc2c1CN(S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2286045593 PQWDUHFTHWLLOK-SFHVURJKSA-N 429.454 1.583 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2312844362 AWDQIBOGWUASSY-VBQJREDUSA-N 435.330 1.134 30 10 IDEE COc1[nH]c(=N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317504032 UWLFSSZTSKECBL-HUUCEWRRSA-N 435.330 1.515 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1OCC 2330742770 QNGNJBAPMIWLEY-UHFFFAOYSA-N 448.549 1.822 30 10 IDEE Cn1nc(Br)c(Br)c1CNS(=O)(=O)N1CC[C@@H](C#N)C1 2364447415 YCRIOKLBRWIKEV-ZETCQYMHSA-N 427.122 1.125 30 10 IDEE NC(=S)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc2c(c1)OCO2 110394964 DVRNLHRMJVKRNN-VOMLJKFNSA-N 442.413 1.243 30 10 IDEE C#CCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 111192398 GNSSTWDPCMWMMU-OAHLLOKOSA-N 436.489 1.523 30 10 IDEE C=CCNC(=O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br 393837868 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CCc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 513780173 RFUYVOYCJFMDOQ-UHFFFAOYSA-N 448.527 1.270 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC#Cc1ccccc1 519793786 WJJKDTULBAJDEP-UHFFFAOYSA-N 441.553 1.803 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCCOCC 538496868 KVXVOXULCZUXLS-UHFFFAOYSA-N 444.557 1.078 30 10 IDEE N#CC1(CS(=O)(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCCC1 545385867 WIJQDUAEYMTDBM-UHFFFAOYSA-N 434.562 1.851 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c(C(F)(F)F)c1 549241063 LRCCBTPWSKUCDM-UHFFFAOYSA-N 437.465 1.766 30 10 IDEE COc1ccc(CCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC 552231690 NYIGEPZDVHOGJM-UHFFFAOYSA-N 437.500 1.368 30 10 IDEE CN(C)CC1CCC(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 553118205 BOWUPEUKACMMCD-UHFFFAOYSA-N 448.571 1.992 30 10 IDEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 555243759 ILLFGBAINPPDLP-UHFFFAOYSA-N 441.927 1.434 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 555246982 ALDXVUNMDRYJGF-FQEVSTJZSA-N 440.548 1.381 30 10 IDEE C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2cccc(C#N)c2)C1)N1C(=O)c2ccccc2C1=O 586053411 IECYPBGUGBELJG-YJBOKZPZSA-N 430.464 1.964 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)cs1 590915134 GVKONHMYPATRNR-MRXNPFEDSA-N 444.582 1.416 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 679532135 IPJXUHCNUREMJJ-UHFFFAOYSA-N 431.514 1.765 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2ccccc2c1 727418391 QRCHIIYDFLSDIW-UHFFFAOYSA-N 445.500 1.911 30 10 IDEE C#CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@H]1CCS(=O)(=O)C1 729335292 LDZKWIJAIKSRGS-NSHDSACASA-N 448.238 1.462 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 730139046 PKHUVDWVSBJNCI-PBHICJAKSA-N 449.577 1.219 30 10 IDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 741449047 IVBAASNBQQDLAQ-KBRIMQKVSA-N 431.562 1.583 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc2C1=O 749249621 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CKRMWGGNCVJDRA-QRFRQXIXSA-N 442.541 1.618 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CCO1 813746823 UTTWJVXDRSTQIN-AQNXPRMDSA-N 448.545 1.482 30 10 IDEE CSC[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 916775214 KZOIWOGWMNSHON-BRWVUGGUSA-N 449.554 1.411 30 10 IDEE Cn1cc(I)c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1127911696 LEUGVAXLSITVQW-CQSZACIVSA-N 449.252 1.822 30 10 IDEE Cc1c(NC(=O)CSCC(=O)N[C@](C)(C#N)CN(C)C)c(=O)n(-c2ccccc2)n1C 1128797429 WPRNBZIHUWBPCE-OAQYLSRUSA-N 444.561 1.116 30 10 IDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1129748840 SYVZLLZXKPPWLH-CQSZACIVSA-N 441.893 1.510 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnccc2N2CCN(C)CC2)s1 1142041623 YOJIDRZZTBQMRT-UHFFFAOYSA-N 435.575 1.540 30 10 IDEE COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1149999920 GWURLBWQFDCXQD-UHFFFAOYSA-N 442.497 1.694 30 10 IDEE C[C@@]12CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C[C@@]1(C)C(=O)NC2=O 1151217595 HPVSTSRCWIAPCG-OALUTQOASA-N 431.290 1.268 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)ccc2F)CC1 1171050628 GQNGGHMQQBUWQW-AEFFLSMTSA-N 436.509 1.443 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(c3ncc(Br)cn3)C2)cc1 1175120390 WYZOVKKGLJLUDO-UHFFFAOYSA-N 435.303 1.652 30 10 IDEE C[C@@]1(C#N)CN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CCO1 1176578366 MIXODTSBOCIAHE-OAQYLSRUSA-N 432.546 1.365 30 10 IDEE CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1214964966 ANXHTYJISXFRMQ-UHFFFAOYSA-N 436.472 1.948 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)n1 1256419859 JPEPRNHLNFAISG-MRXNPFEDSA-N 448.545 1.848 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCOC 1286278861 HQBYGYLEFSGWFS-HRAATJIYSA-N 449.577 1.441 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1286296098 LODHVINYMCYNRQ-GCJKJVERSA-N 426.590 1.930 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286370099 ZQQKQVQOMFNEFW-HZPDHXFCSA-N 428.537 1.963 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286390675 BBHCBRGOMADQFC-LJQANCHMSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286396218 WCQFOJSZYJUIEF-UXHICEINSA-N 442.589 1.231 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286613915 ILMXMRNPVRLVAD-VQIMIIECSA-N 428.555 1.146 30 10 IDEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286694557 UPUKFKIYASHDEY-UHFFFAOYSA-N 428.537 1.794 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286832275 JGLZUTGQEZXAPI-LJQANCHMSA-N 448.637 1.836 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)S[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1288078423 MRDZZUOTAWRUHX-KPQZKFHNSA-N 447.565 1.273 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1290053201 BMECGKCEUUMOKM-UHFFFAOYSA-N 429.454 1.085 30 10 IDEE COc1cccc(OC)c1OC1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1292419042 FNQOLKGEJPFMNY-UHFFFAOYSA-N 428.445 1.298 30 10 IDEE Cn1cc(N2CC[C@@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)cn1 1293766111 FIOCCVIFFIXWLB-QOQLHOOGSA-N 428.537 1.902 30 10 IDEE CN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298343244 LEPXSHXXYYZHLX-XUTLUUPISA-N 449.515 1.677 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN(C)C(C)C 1300441763 YWYGUGQYANLHLI-UHFFFAOYSA-N 432.594 1.995 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300506574 VCPMBTCAJAKCOR-VQIMIIECSA-N 448.520 1.952 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1300538146 NBHRGBBHFGMREC-OAQYLSRUSA-N 434.588 1.976 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1300572411 UPGMBCIVCVHCCO-HXUWFJFHSA-N 436.541 1.704 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1300579848 XZHSRWPWZCMYPB-UHFFFAOYSA-N 436.516 1.871 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCC2)CC1 1300685970 VTDAQJUUEYSZBD-HSZRJFAPSA-N 430.597 1.560 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2N(C)CCCC2(C)C)CC1 1300705875 DHQFWZOFUHRNOK-LJQANCHMSA-N 427.597 1.276 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1300754128 JHIFXTANBMUCJY-UHFFFAOYSA-N 426.525 1.906 30 10 IDEE C=CCn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1301474008 QRBWYGUDHGKJFJ-APWZRJJASA-N 427.571 1.224 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1OC 1301501393 WARCZWXGKYEBPE-INIZCTEOSA-N 433.534 1.127 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301575098 BKZWXTBDLVHWHB-QFBILLFUSA-N 445.545 1.658 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCNC(=O)CC1 1301576704 YULTZDLZAVHKRX-UHFFFAOYSA-N 429.502 1.618 30 10 IDEE C#C[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCOCC1 1313042885 JVGBGAFJMDPPJE-IRXDYDNUSA-N 443.566 1.138 30 10 IDEE CCN(CC1CC1)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1313763476 NYZFSFKPJPQBDS-QZQOTICOSA-N 438.536 1.902 30 10 IDEE CCOCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314449029 SDRQEFKNTAWCOP-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCOC1 1314682244 OKDPSVLOBUZCSF-MSOLQXFVSA-N 430.534 1.466 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1315813235 BIKQHEYDYQKCPQ-FUHWJXTLSA-N 427.484 1.842 30 10 IDEE COCCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1315980505 DPDCPZDBGANBLT-QGZVFWFLSA-N 445.545 1.894 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1316264737 RZXODDABPLHSBS-HTAPYJJXSA-N 427.505 1.864 30 10 IDEE NC(=O)C[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316549667 JLDFSTIKHMTLLX-NXHAUGRDSA-N 427.509 1.164 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1358963684 MLDSFIRXPNRZCM-GOSISDBHSA-N 431.562 1.945 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 1359023233 DSXOTQCUNJQRBB-NQIIRXRSSA-N 436.560 1.762 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCC(O)CC2)CC1 1359038327 RUQPXGFAIUMENF-UHFFFAOYSA-N 436.604 1.665 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1359041238 QPAQZXIIOXJBJL-LJQANCHMSA-N 442.589 1.687 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359056117 YLMJFYCDTXQBFF-IAGOWNOFSA-N 440.577 1.491 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359101200 LWBCLXJCSKQOQD-QRFRQXIXSA-N 431.562 1.868 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CC1 1359561156 OWMOKDWDMFILRC-AUUYWEPGSA-N 436.488 1.553 30 10 IDEE C=C1CN(Cc2c(OC)cc(OC)cc2OC)C(=O)CN(CC(=O)OC(C)(C)C)C1=O 1384873261 CAURDOZSZSUURM-UHFFFAOYSA-N 434.489 1.781 30 10 IDEE CC(C)(C)[C@H]1CNC(=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1439654026 HWBPKVGOYRLIOY-GOSISDBHSA-N 432.546 1.332 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCC2)c1 1452456560 ZUHUPJJBHSONBC-UHFFFAOYSA-N 440.525 1.734 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1458040052 SFCHJGIJKATZCA-KKSFZXQISA-N 448.545 1.742 30 10 IDEE N#CC1(C[C@H](O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CCOCC1 1459688352 BAYSKNGJEYBQNJ-SFHVURJKSA-N 425.526 1.640 30 10 IDEE COC(=O)[C@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)CCOC1 1460460824 HXKCELLQXZLASI-MBSDFSHPSA-N 444.532 1.280 30 10 IDEE C=CC[C@H]1CCN1CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1473865426 SDDRPLUYMXAYBD-KRWDZBQOSA-N 427.505 1.209 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1478737034 RLFPFERCNLGKCX-UHFFFAOYSA-N 442.951 1.673 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1504758193 SMDFCQUZIZNNPU-LZJOCLMNSA-N 427.461 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507519405 ZXGCHROXHSZGLJ-RRFJBIMHSA-N 442.586 1.602 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1507538360 LSPMWEWXHYXPAG-PKOBYXMFSA-N 445.589 1.627 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1507538909 PYTFKPXZYUDDHT-MJGOQNOKSA-N 443.573 1.523 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1507630290 WHGNISIPFIEILI-KRWDZBQOSA-N 444.561 1.129 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507663374 AHGKGBJQKQOXIR-HXUWFJFHSA-N 432.933 1.611 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)noc2C)CC1 1507726664 JXZCQORXQFGTTD-UHFFFAOYSA-N 439.545 1.678 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCSC2)CC1 1507735679 FBXAIXHRCIIAAS-VGOFRKELSA-N 447.605 1.649 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCCc1ccccc1 1513925848 YCCXGHAKLWCHQX-UHFFFAOYSA-N 444.543 1.793 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1516180706 FJLBHZAANGSNKI-PMACEKPBSA-N 432.456 1.395 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1517326304 IWHNMGVUHQYHBO-HXUWFJFHSA-N 426.521 1.391 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1519432648 SGSJRSJLHSAKDY-KSZLIROESA-N 437.566 1.709 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 1539202031 FEZKGCJCBHJVLR-HNNXBMFYSA-N 432.575 1.960 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1539202351 HFDFRTOZXDMNHW-WWMYMODYSA-N 436.578 1.540 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1539343299 IYTKCVNUVUFICY-CYBMUJFWSA-N 426.930 1.475 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1539651809 KYJIGORAFRMWDO-HSZRJFAPSA-N 448.612 1.885 30 10 IDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539758123 HFLRPJYWRDKFTG-UHFFFAOYSA-N 432.594 1.733 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539772970 PKZOAKQKDVPEAD-CABCVRRESA-N 426.949 1.536 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nncn2-c2ccccc2)CC1 1539828033 CWZBOFSZOPKLKE-MRXNPFEDSA-N 442.549 1.674 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1539873699 BHLNHQDYPGAYHI-JLTOFOAXSA-N 436.582 1.302 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C)C1CC1 1540107773 CQPVMKTWCQEGEN-RIFZZMRRSA-N 439.582 1.317 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540872136 DKHSMZSYMFJDSX-OAQYLSRUSA-N 447.536 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1540908879 QBOOZKBFADMKNN-IBGZPJMESA-N 444.623 1.863 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1541678629 FPENMMLMOQQNAG-SFHVURJKSA-N 437.504 1.320 30 10 IDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C 1541803512 IWXJMNWHBQDLJR-RBSFLKMASA-N 440.570 1.832 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 1545647355 LNOIQCUFLXIYIA-IWHJNQCMSA-N 441.406 1.769 30 10 IDEE Cc1cc(NCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n2ncnc2n1 1566179992 YZSRQTCEOVMFRW-AWEZNQCLSA-N 438.879 1.539 30 10 IDEE C=CCOC[C@H](NC(=O)CCOc1cccc(I)c1)C(=O)OC 1568154702 PHXUQNWFYRRYNL-AWEZNQCLSA-N 433.242 1.921 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@]4(C)C(=O)NC(=O)[C@]4(C)C3)C2)C1 1587061403 XWZQQBBXBMMEOX-QQJUKMDWSA-N 430.505 1.284 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1588006403 LTVLGIFOHXDKKN-IBGZPJMESA-N 436.560 1.739 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1588070052 VKEZNJJBBNXYSA-SFHVURJKSA-N 432.546 1.829 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC 1588078804 MPXKJRCXAKMXGH-UHFFFAOYSA-N 440.935 1.707 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1 1588276256 JUKCXVSOEPGFKX-UHFFFAOYSA-N 445.325 1.659 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1588751856 OLRXDUUANLWOJX-QPPBQGQZSA-N 444.624 1.950 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1594455152 MSQSPAFSOWUFBJ-CQSZACIVSA-N 426.587 1.453 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595838337 PCVXDLRLAYQBCB-HNNXBMFYSA-N 449.581 1.102 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595879418 WCJCBTVLAMVXKT-HOCLYGCPSA-N 446.581 1.723 30 10 IDEE CC(C)COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1607621573 AWZZWNVWNFNWKI-UHFFFAOYSA-N 443.508 1.844 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCC2(C1)OCCO2 1611658693 HSUHJIAJJWYPTK-SOUVJXGZSA-N 426.543 1.170 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613242549 XLYFESILXDVGHO-JLXAXMFCSA-N 441.536 1.519 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCOC1 1617781228 ZFNURXLCVVODRA-SFHVURJKSA-N 445.545 1.779 30 10 IDEE COc1cccc(CN2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)c1 1620512728 IBNKGHMXUBQRRR-UHFFFAOYSA-N 438.532 1.330 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@@H]3C)cc2)CC1 1625066616 LWYWXPADMRIQQF-KXBFYZLASA-N 433.534 1.065 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1625240007 IUVGFWQEOVHWPA-SFHVURJKSA-N 426.448 1.283 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C(=O)CC#N)CC2)(n2cccn2)CC1 1635737711 XEOKHROOSAWNEF-UHFFFAOYSA-N 430.509 1.194 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1637753590 UZFPWBIVFVMDMW-UHFFFAOYSA-N 428.537 1.591 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CC(CC(N)=O)C3)nnc12 1639040140 BKABEDBFHYVKGX-UHFFFAOYSA-N 426.502 1.093 30 10 IDEE COCc1nnc2n1CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2 1640896301 YIFFIURTTODLET-DBWCEAHUSA-N 430.509 1.554 30 10 IDEE N#C[C@H]1CN(C(=O)c2ccc(I)cc2-n2cnnn2)CCN1C1CC1 1642709465 WAKDNBGKLSOGLC-ZDUSSCGKSA-N 449.256 1.079 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1643027779 FJJIVDOAZKPNSS-QZTJIDSGSA-N 436.530 1.584 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H]4OCCNC(=O)[C@@H]43)C2)C1 1643301114 WNCVIFANXIETGD-XOTSOKPUSA-N 432.521 1.279 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1Cl 1643572475 FYRVYMHXNGYPPX-IBGZPJMESA-N 425.938 1.785 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@](C)(CO)Cn1cnc2ccccc21 1647941798 JKJDHGZUZIUIGZ-YCRPNKLZSA-N 441.513 1.142 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1649086587 RCJCQTISVXKCHI-KRWDZBQOSA-N 428.489 1.661 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1664986463 JGFMEIPDCZEYAN-UHFFFAOYSA-N 437.518 1.516 30 10 IDEE C#CCCCS(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1665913086 HUMUSPPLSDATLO-CQSZACIVSA-N 432.283 1.507 30 10 IDEE CN1CCN(c2cc(CNC(=O)N3CCN(c4ccsc4C#N)CC3)ccn2)CC1 1676655450 AMEIABJZPZUZKZ-UHFFFAOYSA-N 425.562 1.798 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)CC1 1679797130 XHIHRDRCDNDRMV-HNNXBMFYSA-N 446.495 1.994 30 10 IDEE COc1ccc(C[C@@H](CO)CNC(=O)NCCn2cnc(C#N)n2)cc1Br 1680972744 FYFALPAHRYSAFN-CYBMUJFWSA-N 437.298 1.071 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1682021306 DGUATTCCMWFBJQ-XVLXNVKGSA-N 430.530 1.314 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCn1ccnn1 1689961386 VYHWJEDVYIDVNB-UHFFFAOYSA-N 431.504 1.987 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689986663 UTTNLNFXHDHGPI-QGZVFWFLSA-N 442.570 1.974 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690119822 TWTZMWFXJDXZEJ-LJQANCHMSA-N 448.493 1.963 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690246419 UHOMDHOVVGMTOU-RPUYLAQPSA-N 439.582 1.468 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC(C(N)=O)CC1 1690666603 AKBXCAOCBNUMEN-UHFFFAOYSA-N 447.337 1.712 30 10 IDEE CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1692420457 NOGVCLHBFHREOK-HNENSFHCSA-N 443.552 1.407 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCS(=O)(=O)C2)CCOC1 1692586662 NHMDPJHGBKVJFY-FUHIMQAGSA-N 439.582 1.882 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(COC)cc2)CCOC1 1696083670 AMZIGIJIAVNNTN-KNQAVFIVSA-N 427.505 1.854 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1705477195 KHBNIBGFOICABF-BXTJHSDWSA-N 436.509 1.565 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705523841 ABUCGNQDCTVPHL-MSOLQXFVSA-N 438.536 1.792 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)NC 1705601230 CJLBKQSZZXHMAG-UHFFFAOYSA-N 429.546 1.486 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705639607 SBJASJRWIKONMM-SFTDATJTSA-N 430.597 1.632 30 10 IDEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705722921 PCZQLYXWLZCOEI-UHFFFAOYSA-N 426.521 1.703 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705821678 FDGMTWVPHDTIKC-UHFFFAOYSA-N 435.598 1.966 30 10 IDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705888660 LOHOAAJTBXWJCL-GOSISDBHSA-N 440.504 1.915 30 10 IDEE CC(C)NC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1706642235 GSJNGMATQHYCFV-UHFFFAOYSA-N 432.488 1.958 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)c1 1710327073 QTBFTSDNKTZWPW-LPHOPBHVSA-N 442.520 1.529 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1711893911 MTCIXAFZFOIRJO-QZTJIDSGSA-N 426.477 1.297 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1722289256 NPXWRQHNFUNBCS-QGZVFWFLSA-N 439.545 1.624 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1722351177 HUICVAHGAPHIBU-WMZOPIPTSA-N 433.534 1.148 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1722379113 VUHCXFDOQGFYGE-UHFFFAOYSA-N 437.525 1.627 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1722381798 BQGIQZFMSMETSV-UXHICEINSA-N 431.606 1.765 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1722382371 HHWRKSVWUZYGJT-MRXNPFEDSA-N 435.550 1.120 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C(N)=O)nc1 1722423433 CJUAXMLYCVAPFD-UHFFFAOYSA-N 434.456 1.302 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722425090 MAAJFOJAPCUKOB-ROUUACIJSA-N 440.527 1.705 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)O)CC1 1722445825 YARDCOMFGUNWGP-UHFFFAOYSA-N 425.489 1.411 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722452021 APEANGOYKKKKIQ-KKSFZXQISA-N 442.545 1.676 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722527233 CLPZYSQZLIIXNJ-INIZCTEOSA-N 443.508 1.795 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2OC)CC1 1722697442 KNYZTMAMDKITGA-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722700384 GWXVOSQSJRCNDD-VQTJNVASSA-N 439.564 1.113 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)C1 1722709573 SUFNLBNKWLNNBN-CYBMUJFWSA-N 435.435 1.088 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1722872095 KFSZGCOOVPUTBZ-BZUAXINKSA-N 426.587 1.732 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1729162673 PYSVOABVFQSHTI-UHFFFAOYSA-N 434.504 1.882 30 10 IDEE CNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729719691 GEKCLRAVAQSQDZ-UHFFFAOYSA-N 434.479 1.814 30 10 IDEE COc1cccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1730211857 HDMDOENMSKATBN-RLLQIKCJSA-N 426.521 1.822 30 10 IDEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1730287873 YWSSMCWYMFGZGF-ZBFHGGJFSA-N 425.493 1.604 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1740615456 FCTSSFZBNVCJOE-ZACQAIPSSA-N 437.541 1.279 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740624042 CZVQTHHZMSOCNZ-QGZVFWFLSA-N 449.602 1.329 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)CC1 1740694149 AILTVYIHCMRGCV-SFHVURJKSA-N 441.536 1.336 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)C2CC2)CC1 1740825511 PCSRRVHUJOEDNP-SJLPKXTDSA-N 438.598 1.250 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O 1740848086 BPJYVHLPTDPYLZ-OAHLLOKOSA-N 432.612 1.653 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1740932091 HBBXGBTVQJHJPG-DLBZAZTESA-N 425.555 1.216 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)[C@H]1CC 1740953868 UFHNCEHCSGVXCM-CYBMUJFWSA-N 436.314 1.053 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(=O)NC)CC1 1740963584 PGYXMYNLYNBSER-UHFFFAOYSA-N 440.548 1.739 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)NC)C1 1740980242 GKLOCMGPVNYBTM-KRWDZBQOSA-N 439.969 1.853 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1740987530 VXLTUTGREYCQLD-MAUKXSAKSA-N 449.508 1.887 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740999768 GRHVKSWFKVNIOZ-GOSISDBHSA-N 442.593 1.397 30 10 IDEE Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742837347 WOUKEQYDFQABNJ-FMQUCBEESA-N 425.468 1.579 30 10 IDEE C[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1743043997 SGWCDHFSOGLZLD-IGGDJGDASA-N 441.536 1.667 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1748690222 OWFRNXPNKBAELB-LMGVVVSRSA-N 430.553 1.985 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748811034 AIDBPFCLQYYVHO-ZWKOTPCHSA-N 443.577 1.094 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748839526 XGMJFFXZBQMFNO-HKUYNNGSSA-N 426.546 1.550 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1748847267 QGAJQLHULGZEOA-NRFANRHFSA-N 448.552 1.546 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1748945142 LTLQJGHPEYMMJX-AVRDEDQJSA-N 426.496 1.075 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccc(OC)cc2)CC1 1748989848 CXLBSVTTXZYAPN-HXUWFJFHSA-N 438.532 1.462 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 1749006647 WFBCILDIJWIAOY-QFIPXVFZSA-N 443.935 1.716 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC=CO2)CC1 1749015578 HMJHGXZMXJIETL-HXUWFJFHSA-N 437.548 1.798 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1749023025 OXKIZXLJCNUADW-NVXWUHKLSA-N 441.623 1.508 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749655454 LFTANGSYTIWUSO-OAHLLOKOSA-N 442.520 1.227 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)C1 1749696174 ANHJNFCSUCFOOS-YRNRMSPPSA-N 441.598 1.611 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749721405 IVBRQWTXNWMNNJ-YGKKUGEXSA-N 428.493 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC)C1 1749721865 VWOUPOFHJDJLHW-INIZCTEOSA-N 425.555 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749729686 OFTMATIWQAATGQ-SJORKVTESA-N 430.534 1.188 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760158133 DXFDAUZFYLFANR-UHFFFAOYSA-N 437.479 1.996 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760205392 AGBFMEMXZQVPQO-FHWLQOOXSA-N 425.512 1.201 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1760219571 IDSMYVGNZYTFDR-QGZVFWFLSA-N 439.607 1.217 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1760355501 MQSYQRZYHHPFOV-UHFFFAOYSA-N 437.504 1.063 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1760495526 QHZLSQZSVFEZPF-INIZCTEOSA-N 427.596 1.339 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1760517510 OMGBVKIQMOCWSW-INIZCTEOSA-N 448.474 1.954 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CC1CC1 1760523403 XCNJMLVZABAXBW-UHFFFAOYSA-N 431.566 1.777 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760524623 DNTKISHZEMMELX-LJQANCHMSA-N 445.589 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760552659 WKSPOGBWHHVJDZ-UHFFFAOYSA-N 440.529 1.676 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(=O)NC(C)C)o1 1761759871 ULSFNWIIMJWEQA-UHFFFAOYSA-N 434.504 1.964 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762108048 NCXSXSNSYXBRRK-QURGRASLSA-N 436.516 1.930 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1767573535 ASYHSIHAFIGUDK-OAHLLOKOSA-N 444.561 1.460 30 10 IDEE COC1(C)CN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768199370 ULMKDLQJOPUIFF-MRCUWXFGSA-N 436.516 1.929 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1771272967 ZJOVMRDRQJWTGZ-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1771273221 INKYQPXNKQXZSS-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE Cc1nn2c(NC(=O)c3ccc(N4CCC(N5CCOCC5)CC4)nc3)ccnc2c1C#N 1851459379 SRJSDFLMXRNOMC-UHFFFAOYSA-N 446.515 1.858 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 1852017762 UGFIGJPIJYXVTH-GOSISDBHSA-N 437.475 1.811 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@@H]1C 1854752213 ZHMHMUFBQMKDOU-HOTGVXAUSA-N 425.576 1.784 30 10 IDEE CN(C(=O)CCNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1C#N 1858018797 LANNAZHPKOSXLS-UHFFFAOYSA-N 440.481 1.127 30 10 IDEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868781852 BJHHLQQGAQBHJC-YOEHRIQHSA-N 431.562 1.253 30 10 IDEE COC(=O)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874337245 HHHVIZRMTNJGOK-XUMUCCENSA-N 444.517 1.249 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 1891560433 ZDXQIXPDVHVTRG-UHFFFAOYSA-N 443.920 1.694 30 10 IDEE C#CCn1ncc(NCCCOCCNC(=O)OC(C)(C)C)c(Br)c1=O 2111804161 LPGANOBTUWOMBF-UHFFFAOYSA-N 429.315 1.982 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCO)n1 2164496246 JCDRQHOTNBNTNB-HXUWFJFHSA-N 431.445 1.192 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674255 GZPHKBSTTOEKRM-CMPLNLGQSA-N 427.332 1.655 30 10 IDEE C[C@H](N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2255621692 PZOFCHJJQDQJJM-HNNXBMFYSA-N 428.342 1.916 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626460 GKMGTWVTFJQIPL-GHMZBOCLSA-N 430.236 1.381 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C=CCN1C(=O)OC(C)(C)C 2255701224 ODKCPXDTYFCXNC-ZDUSSCGKSA-N 433.318 1.020 30 10 IDEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@@H]1NC(=O)OC(C)(C)C 2255705904 BHVADMWOTBEOCA-ZFWWWQNUSA-N 436.314 1.943 30 10 IDEE CON(CCCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2255820245 NJEFKEGMDTUYIS-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE Cc1c(C(=O)N(CCC(N)=O)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255824316 FWLKMRBGRFBUSZ-UHFFFAOYSA-N 426.326 1.546 30 10 IDEE Cn1ncc(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2267006788 QTSRWMLNFUMGSP-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2267251900 OLTMHTYDYQZSMT-GOEBONIOSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267275572 PQEOTDAZFRGHAC-JOCHJYFZSA-N 447.341 1.483 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2267498078 RWWYASRILVLLJV-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267513765 QQZGIRHYODEKQP-KFWWJZLASA-N 446.357 1.942 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527471 ICTQJETXYHWSHY-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)cc2Cl)OC1(C)C 2282841896 YRVBXKAJVXDOLL-MRVPVSSYSA-N 435.682 1.902 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2312855045 QOXSIQVXQVDYTJ-YDHLFZDLSA-N 432.330 1.694 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2337187712 IFEPQAWUDMSUNF-KFWWJZLASA-N 446.357 1.765 30 10 IDEE COC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C#N)c1C 9472650 AQFMEYJDVHCMDI-UHFFFAOYSA-N 449.510 1.988 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)cnc21 11558311 BRPAZKIPFMGGKE-UHFFFAOYSA-N 440.485 1.514 30 10 IDEE CS(=O)(=O)OC[C@@H]1CC2=C(NCC=C2Br)N1S(=O)(=O)c1ccccc1 216138003 GSELWFWEVQFMIG-NSHDSACASA-N 449.348 1.519 30 10 IDEE C=CCOC[C@H](NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)C(=O)OC 481762263 AEBVSSUFMCMAEF-AWEZNQCLSA-N 434.308 1.635 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 487150531 BTCPMPOHXNJDMI-INIZCTEOSA-N 441.513 1.834 30 10 IDEE Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cn1C 499418281 XJQJIAPJALKUSH-ZDUSSCGKSA-N 426.296 1.150 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)N3CCC(C(=O)NCCCN4CCOCC4)CC3)CC2)c1 513294821 BJGPCFOUWILZFB-UHFFFAOYSA-N 442.535 1.806 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1C[C@H]1CCCO1 531815602 MXPWSMKBWDUSJY-CQSZACIVSA-N 425.535 1.553 30 10 IDEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ncccc2C#N)CC1 532902045 NYKFXWYLMXMGGH-OAHLLOKOSA-N 436.472 1.583 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc4c(c3)OCO4)CC2)cc1 533021535 DCRFQHFKQQSPEI-KRWDZBQOSA-N 445.497 1.033 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 541956694 WUUNUMXYIVDOEK-IBGZPJMESA-N 425.576 1.658 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(C)C)c1=O 543659544 YKOPMCFJKPSZNO-UHFFFAOYSA-N 426.498 1.564 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)s2)c(=O)n1C[C@H]1CCCO1 570760139 OGVJSMTVWYJKTG-SNVBAGLBSA-N 443.472 1.418 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)CC1 588767843 KTSUMQHIAXWHGE-HZPDHXFCSA-N 436.582 1.204 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1F 609450387 QVHACQVPFSADTJ-MRXNPFEDSA-N 427.501 1.318 30 10 IDEE CN(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1 616172408 QVCUPFVOKZDATM-QGZVFWFLSA-N 431.518 1.470 30 10 IDEE C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cn1 729031143 WNCSUPDIRULFAT-XNTDXEJSSA-N 439.493 1.365 30 10 IDEE C#CCN(C(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC)[C@@H]1CCS(=O)(=O)C1 730536449 MLGJPXFLEMFFKP-JKSUJKDBSA-N 443.612 2.000 30 10 IDEE COc1ccc(COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)cc1C#N 746954875 UIFSTWFTEGJSGN-XIKOKIGWSA-N 438.889 1.991 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CCN(c2ccccc2C#N)CC1 749530975 QMVHKCJPIBNGIY-HNNXBMFYSA-N 444.561 1.361 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)cnc2Br)C1=O 761741806 FSFJCBMEFOVRHZ-UHFFFAOYSA-N 446.055 1.522 30 10 IDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 767694924 HTOXLAGCQYXABK-OAHLLOKOSA-N 439.490 1.573 30 10 IDEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCC(=O)N2CCOC[C@H]2C2CC2)cc1 769842802 SFMNREAWBXAYMX-SFHVURJKSA-N 432.521 1.986 30 10 IDEE Cn1ccnc1C(=O)[C@@H](C#N)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 770866539 SNPITKIJPMXVJN-ZDUSSCGKSA-N 429.230 1.760 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cc(Br)sc1Cl 771178025 CNCLHHHROLKMGA-BENRWUELSA-N 440.728 1.969 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc[nH]n1 772198233 CARNYZDXZVDTBN-QGZVFWFLSA-N 448.483 1.824 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774580036 ANYLUCXFRVHRKE-XIRDDKMYSA-N 443.529 1.262 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCCO4)c2=O)c1 776754497 BCPHSPGQVGDBKN-UHFFFAOYSA-N 432.461 1.409 30 10 IDEE CC(C)(C)OC(=O)N1CCC(OCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1 777284234 CNRNUMGIIUYOKH-UHFFFAOYSA-N 437.518 1.920 30 10 IDEE CC(C)C(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790840194 WITXQNFDKWSBFW-CQSZACIVSA-N 428.308 1.773 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H]1CCCN(c3cc(C#N)ccn3)C1)C2=O 791989086 XTORXUARHDCFKK-YSJWXEPDSA-N 425.489 1.966 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 802574046 BBOYBAKDPQZOCS-KRWDZBQOSA-N 437.570 1.174 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)CC1 914445569 XXIVRCJIUAKTSZ-HXUWFJFHSA-N 426.561 1.829 30 10 IDEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)Cc3ccccc3C#N)c(=O)[nH]c21 916775789 IDFVZSCIGWBBQG-FPLPWBNLSA-N 425.470 1.837 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1cnc2c(cnn2C)c1=O 928713412 PCUJABKIXSJIHA-CQSZACIVSA-N 438.444 1.017 30 10 IDEE COc1cccc(C=c2c(=O)oc3n2-c2oc(N)nc2[C@@H](c2cccc(OC)c2)C=3C#N)c1 1083907602 XCFOXSRBTBDQJE-IBGZPJMESA-N 442.431 1.666 30 10 IDEE Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1B1OC(C)(C)C(C)(C)O1 1136907367 IMXBHTBRQNWWCT-UHFFFAOYSA-N 427.310 1.451 30 10 IDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccc1 1164109295 BARYPNLOFBPKKV-OAHLLOKOSA-N 429.498 1.753 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1275549851 TZRDJFBVYIFJMJ-QGZVFWFLSA-N 426.494 1.921 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286336792 XWPPOMSGQZDKSH-SFHVURJKSA-N 443.596 1.399 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1286394583 PCYYVCNJHMAOIZ-IBGZPJMESA-N 443.573 1.707 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286397564 SQZQEXBLRSRPQE-GOSISDBHSA-N 432.546 1.807 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286506639 KNOYAJYNKORDSI-DLBZAZTESA-N 441.623 1.304 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1300304601 UANBANCSNCIQSD-RHSMWYFYSA-N 427.505 1.956 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCO[C@@H]2C)c1 1300334099 HVOSESPOQTWQDG-JTUHZDRVSA-N 439.516 1.378 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1300538489 RABXIQVCVKDXPT-AZUAARDMSA-N 441.557 1.488 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(NC(C)=O)nc2)CC1 1300681872 BXWPLODNFJIRDF-KRWDZBQOSA-N 441.536 1.159 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1300696086 SWDDLWSNGHKIOE-QGZVFWFLSA-N 427.553 1.952 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301057976 XZJMFAOWVGISQD-OAHLLOKOSA-N 427.488 1.498 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301222681 COGDATOACBLFQE-OAHLLOKOSA-N 445.611 1.055 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(C)o1 1301499759 FQERYQIOZUKYHV-CVEARBPZSA-N 433.534 1.725 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301520317 WLENVXWPUPPIPG-QGZVFWFLSA-N 444.561 1.132 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301520952 VCHGALKXHFHQBK-KDOFPFPSSA-N 431.459 1.962 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1301593201 KHPPSIUIQFGZHU-MRXNPFEDSA-N 447.517 1.195 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301609172 FALGDNHAEALASO-CYBMUJFWSA-N 439.563 1.548 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1303934571 RTYLWDPZUVBATK-JTSKRJEESA-N 432.488 1.935 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cccc21 1304002583 ULUIEVOVCHJLDB-QKKBWIMNSA-N 431.514 1.995 30 10 IDEE Cc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1304886027 HCABWGQDKFYQBV-UHFFFAOYSA-N 435.488 1.941 30 10 IDEE C#CCOCCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC=C 1307264499 YZCLMAZSTUEPCG-UHFFFAOYSA-N 448.570 1.894 30 10 IDEE Cc1ccccc1CN1CCC(NC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)CC1 1307383327 CMNCDQUDMWZJPP-UHFFFAOYSA-N 435.528 1.614 30 10 IDEE Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(CC(=O)N(CCC#N)CCC#N)C2)cn1 1308012284 LNVFVYUAJCMHAU-ZWKOTPCHSA-N 428.537 1.823 30 10 IDEE C#CCC[C@H](O)CNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1313039831 HYCKCRFHCHMPML-SFHVURJKSA-N 438.569 1.698 30 10 IDEE CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1314652110 CZNTWKWBJFNIIR-HZPDHXFCSA-N 429.550 1.339 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1358892329 XJYXKNMFUIVYCI-YESZJQIVSA-N 435.525 1.460 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1358978333 JSBNIFYRVJVSQJ-AZUAARDMSA-N 437.569 1.704 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1454712729 MRSZMKCZOFNJEQ-GJZGRUSLSA-N 446.957 1.618 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)CC1 1464851613 ZORBGISVGIPZST-FFZOFVMBSA-N 430.346 1.619 30 10 IDEE CC[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1495057661 MAGKIYOEDHFLPY-GGNAOWBESA-N 438.554 1.187 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1507534489 UBGIQXKEHPASBS-WMLDXEAASA-N 433.516 1.565 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(CCC)CC2)CC1 1507726692 KKFDBKNWDKFHAJ-UHFFFAOYSA-N 427.597 1.278 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)C(C)(C)C)CC1 1507738118 KBUXLLMNIHJUJR-IRXDYDNUSA-N 430.553 1.256 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1508079883 GJNPTEFBBXTCFK-UHFFFAOYSA-N 431.460 1.323 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508083017 YYJNBUHSEJCOEO-SFHVURJKSA-N 438.536 1.305 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508163215 VMTVCKMAPPCOSR-CVEARBPZSA-N 429.612 1.467 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1[C@@H]1C[C@H]1CF 1510225456 CWYAVRVFDVONRE-VIBAHUMZSA-N 448.524 1.868 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)c1 1517626269 WKVHUAFAIKVIRX-APWZRJJASA-N 434.497 1.528 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCNS(C)(=O)=O 1518003664 CNZDBRJIGRQSQP-LBPRGKRZSA-N 426.930 1.752 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1CCOCC1 1519320291 PNKBFGYLOYZVMD-PXNSSMCTSA-N 432.569 1.995 30 10 IDEE COCCOCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1519382391 LJPASDLVVXXJMD-LJQANCHMSA-N 442.520 1.356 30 10 IDEE COCCOC1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1526051505 DCSKIFCJSGALOA-MRXNPFEDSA-N 435.908 1.893 30 10 IDEE Cn1ncc(Br)c1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1535290965 RCDHUPFHORTKAL-AWEZNQCLSA-N 445.277 1.576 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1539219271 BQGRLLJKSAJKTE-HOTGVXAUSA-N 428.505 1.987 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539264031 VIYXTPFIHBTUMD-HXUWFJFHSA-N 426.542 1.838 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1ccnc1C 1539362487 CBQZGXLXZZWUCK-UHFFFAOYSA-N 426.550 1.903 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2nc(C)cs2)CC1 1539459336 DTMVTMFSAAZLQX-INIZCTEOSA-N 427.578 1.724 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539505272 ABZFJIZZJNXSOQ-KRWDZBQOSA-N 443.529 1.382 30 10 IDEE Cc1cc(N2CC[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)n(C)n1 1539746652 DEUSCOLCUZABOP-HOTGVXAUSA-N 432.525 1.927 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1nnc2n1CCCCC2 1540189500 VLPRWQFMADOSBI-UHFFFAOYSA-N 442.568 1.714 30 10 IDEE COC(=O)[C@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC[C@@H](C)c2ccccc21 1540237089 IFJWMNKSZTVCFF-PEBXRYMYSA-N 441.509 1.807 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)C(=O)OC(C)(C)C 1540534448 ZEBNYSBMRSLPPF-RTBURBONSA-N 434.581 1.505 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1540877519 XXMJUALPRAQGGN-RTBURBONSA-N 433.553 1.986 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2F)C1 1540882801 OMYBBKJKMVCMLV-XJKSGUPXSA-N 441.504 1.996 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1541926994 CBZQGFAVWNPTHU-UAFONNFLSA-N 440.545 1.535 30 10 IDEE CCSc1cnc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1543122737 YTOGHNKENUXZMW-UHFFFAOYSA-N 432.527 1.918 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1543379359 ZFLOXXBOVWWWIZ-YCRNBWNJSA-N 428.533 1.983 30 10 IDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NC(C)C 1548371023 BKXWBOBNUYTHSS-KRWDZBQOSA-N 441.454 1.948 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1555484528 VNTUISCZBGHFIT-HSZRJFAPSA-N 437.548 1.501 30 10 IDEE N#Cc1cn(CCC(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)c(=O)nc1O 1556770820 BALCSVMDQWZLDD-ZDUSSCGKSA-N 434.250 1.048 30 10 IDEE COC(=O)Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1557073148 DKRPREFKXRGZOO-UHFFFAOYSA-N 433.461 1.999 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CC(F)(F)CO)CC3)CC2=O)cc1Cl 1557265927 HINRXMLCPHTSKP-CQSZACIVSA-N 426.851 1.336 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1 1562262894 DIISQMRXBKZVGQ-UHFFFAOYSA-N 449.577 1.893 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccn3nnnc3c2)CC1 1565661480 DZVJJECGWWBLQF-INIZCTEOSA-N 426.278 1.909 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1570566667 OEABFABBLWHNRR-JKSUJKDBSA-N 426.477 1.834 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1584573948 HYBBUYSQHBKEMQ-SXWKCWPCSA-N 428.533 1.841 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)c1 1585103391 UGKRJMXBGPWWOS-UHFFFAOYSA-N 439.537 1.541 30 10 IDEE C#CCCN(CCOC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1585574101 RBUZAJYGGGAIAW-IKGGRYGDSA-N 428.551 1.155 30 10 IDEE C#CC[C@H](COC)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1587392692 RCVVMSRLSDJALI-IAGOWNOFSA-N 435.546 1.225 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1587862640 YDWZPUNSSOQWFQ-INIZCTEOSA-N 434.541 1.572 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1588045419 KIBKVWLHWOGUAY-MRXNPFEDSA-N 436.509 1.374 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1588074458 MXPKMIFVJZXTBV-KDURUIRLSA-N 426.565 1.475 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)SC)CC1 1588923472 ALXQUXZILKFFJQ-CQSZACIVSA-N 444.561 1.723 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(CCC)C2)CC1 1588955229 SAAKOSBAACJPEV-NRFANRHFSA-N 449.603 1.962 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1588976010 PEZKOUSQMTUWMA-HRAATJIYSA-N 442.545 1.676 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1593621199 ORALBNZMQJDLDR-UHFFFAOYSA-N 437.504 1.239 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595812113 NJEGGEAWKRNGSN-JKSUJKDBSA-N 435.575 1.246 30 10 IDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1597053431 MCVRPDBAKSDEKU-GOSISDBHSA-N 434.514 1.125 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)cc1 1608111981 GDLOJJZGVZYHKM-IAGOWNOFSA-N 439.509 1.675 30 10 IDEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)N(C)C 1611717055 IUFSSUWLVLIITH-ISARSNTHSA-N 445.593 1.582 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1612927552 RLIFXTBKWAPRQS-UFOSLELVSA-N 425.518 1.808 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCO1 1613708841 IBIGLGZFKZPTCD-QFIPXVFZSA-N 434.504 1.975 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1-c1ccc(OC(C)C)cc1 1616337233 WQJIPCBVSLJYAD-MGPUTAFESA-N 429.502 1.373 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)C1 1620168469 HOXGTZQHKSLGCN-KRWDZBQOSA-N 429.550 1.285 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CN1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2 1620635119 DEXYINXMRXFBTF-CSODHUTKSA-N 439.578 1.663 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3Cc4ccccc4OC3=O)CC2)cc1 1625121416 SFZUKBVOKRFFKK-UHFFFAOYSA-N 440.481 1.406 30 10 IDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C#CCO)c1 1632346027 RWEYPYKGXVQNPJ-UHFFFAOYSA-N 443.525 1.735 30 10 IDEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1636816142 AHTAPQGVIZUDSO-HZPDHXFCSA-N 426.539 1.441 30 10 IDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1637621950 OOCIGWNHPDHRFW-SFHVURJKSA-N 432.429 1.569 30 10 IDEE COC(=O)[C@]1(C)CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1642963200 BTJHLAGDNSXPCU-IIBYNOLFSA-N 435.546 1.942 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(OCC)cc3)n2)CC1 1644281863 OHCVLPIZRDPCAV-UHFFFAOYSA-N 434.543 1.434 30 10 IDEE Cc1nn(C2CCOCC2)cc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1644382909 YLCKYPPBNMBLJS-ZDUSSCGKSA-N 431.518 1.999 30 10 IDEE N#CC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 1645935533 ZZALUKNLLQJBHO-DRZSPHRISA-N 425.816 1.425 30 10 IDEE CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1646133099 PHCCJAAKWRTQMH-IRXDYDNUSA-N 425.489 1.669 30 10 IDEE COC(=O)[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(C(F)(F)F)cc1 1646162863 MBXSUNALBHMGGX-MWWIPNPYSA-N 425.363 1.952 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 1650846050 HYHNJQOSWAEBNB-UHFFFAOYSA-N 438.509 1.363 30 10 IDEE COC(=O)CN(CC#CCN1C(=O)c2ccccc2C1=O)Cc1cc(OC)cc(OC)c1 1657077847 UIVNRWNFJRJWEQ-UHFFFAOYSA-N 436.464 1.978 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)ccc1Br 1660587927 BXUVNGKCIQKSNV-UHFFFAOYSA-N 427.324 1.843 30 10 IDEE C#CCN(C(=O)Nc1ncn(CC(=O)N(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1674541752 PMAQVMNBMJBOSV-UHFFFAOYSA-N 433.513 1.233 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OCc2ccccc2)CC1 1678962630 IEJJQQKWOMCIGL-UHFFFAOYSA-N 428.514 1.883 30 10 IDEE C#CCN(C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1685818971 IUKJULZJOSRXCK-QINHECLXSA-N 425.551 1.750 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)CC1 1686854734 ARTVXDHDVPYXRY-DLBZAZTESA-N 434.541 1.679 30 10 IDEE CC(C)(C)n1cc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(O)nc1=O 1687568087 OFRCDTGISNDOGE-UHFFFAOYSA-N 428.468 1.746 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1689831399 KNOPGNPPFAXWDD-TXPKVOOTSA-N 445.486 1.651 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1689913760 UYUOZESHGPEKNI-INIZCTEOSA-N 449.581 1.229 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1689930688 XESNSEZNEZUYPH-ROUUACIJSA-N 448.593 1.176 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1689986369 ODCKNGXLDVRSGG-SFHVURJKSA-N 438.513 1.419 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1690090939 DDQBEFFPTRALMX-QGZVFWFLSA-N 442.520 1.741 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCCC1 1690092595 NSUAZPXIOKJONR-UHFFFAOYSA-N 430.553 1.393 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1690155119 GFYYPIYGKLDAIR-INIZCTEOSA-N 441.623 1.794 30 10 IDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1690155750 NSXGWOHCANQFKT-KRWDZBQOSA-N 444.948 1.957 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1690155856 PJAAZZZRULVOHA-UHFFFAOYSA-N 443.533 1.570 30 10 IDEE CC[C@H](C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1694016648 AIZNAKYAPTXGLA-MJZDGDFESA-N 441.536 1.565 30 10 IDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1697716749 AMMSXKKFVOYQQP-MRXNPFEDSA-N 442.520 1.495 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCSC1 1705480858 YUPZWXBHRVOQIC-JLTOFOAXSA-N 448.618 1.873 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1705569050 CRHZHYGEWYENNF-IBGZPJMESA-N 429.546 1.483 30 10 IDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705570275 NQRNAVQPEWMWHP-KRWDZBQOSA-N 441.557 1.748 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1705602358 RMHNUOJTCKONSF-UHFFFAOYSA-N 425.464 1.318 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC(F)(F)F)CC1 1705647121 ASHYDLAKIPNKML-UHFFFAOYSA-N 439.442 1.571 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(CC)(CC)OC)CC1 1705651306 RKRVMPOOOSJZDF-UHFFFAOYSA-N 444.580 1.572 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1705693148 CCVYRUWYGSEZGO-FUHWJXTLSA-N 439.520 1.608 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1705867268 KTCBDVZFFLQYLQ-RBUKOAKNSA-N 443.596 1.247 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C1CC1 1705933447 HPQNAEBAKZSJPV-UHFFFAOYSA-N 428.522 1.510 30 10 IDEE CC(C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1706554594 URRXDNNGHXLDCQ-GOSISDBHSA-N 437.552 1.163 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)C)CCN2C1=O 1710173520 OKXTZCZRWQBVBV-SFHVURJKSA-N 437.504 1.714 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1712091394 HOKDGCCRRITBBA-MKSNKDDYSA-N 440.570 1.070 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCOCC1 1722282528 QLBNQIMITMSZFG-QGZVFWFLSA-N 445.589 1.917 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1722303522 OVYMOPRCSXAZNF-ANNUQZOISA-N 438.463 1.981 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722427193 RFSYLVHOTWBTGN-RBUKOAKNSA-N 437.610 1.767 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2OCCC2(C)C)CC1 1722448847 ZRFAYLXBMIOWCC-RTBURBONSA-N 429.565 1.953 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)N(C)C)CC1 1722573475 ZGTFGULLHDTWDJ-UHFFFAOYSA-N 433.538 1.219 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1)C1CC1 1722650827 LVXNAMAJJXACPV-SFHVURJKSA-N 432.550 1.404 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(N)=O)cc2)C1 1722713129 DJVDEQYTUUBEJP-DLBZAZTESA-N 425.493 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1722723921 IULRQDHPKXRUOX-UHFFFAOYSA-N 433.578 1.908 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1723778709 ICSIQKBQNJHGIX-FUHWJXTLSA-N 448.549 1.428 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1730474184 MQTSXKRZKCPLFQ-GCJKJVERSA-N 440.504 1.107 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1730923144 AGTHIIYIADWSGV-VQTJNVASSA-N 427.505 1.864 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1731186072 NRRBLYJZWVTIAO-WMZOPIPTSA-N 439.495 1.452 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740580524 AMWDHYJGHUNIIV-UWJYYQICSA-N 431.562 1.708 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740615795 LFTXMAOOWSDZLO-QZTJIDSGSA-N 449.577 1.516 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740624007 CAGMNUXIQJHLFC-PMACEKPBSA-N 442.589 1.231 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](CO)O1 1740632102 GXVFZDBFJCFNGI-JKSUJKDBSA-N 432.322 1.659 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1740643000 BPKCSNIXIPHGHM-UHFFFAOYSA-N 433.434 1.823 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1740694020 VOVGFXUZQLXTLV-NQIIRXRSSA-N 425.533 1.760 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1740695034 AWVXLOIBJCVVST-UHFFFAOYSA-N 442.568 1.737 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2cccs2)CC1 1740701166 WXJCLXCJLIHMJM-JLMWRMLUSA-N 445.589 1.727 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)CC2CC2)CC1 1740704148 IRWOXZZOTBZOSY-UHFFFAOYSA-N 444.561 1.064 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740819054 BSLQUJXYALDNSQ-AVRDEDQJSA-N 433.553 1.582 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1740866169 YQIWMZNBPJVYGY-XLIONFOSSA-N 439.582 1.584 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740879688 PXXBVLYUDASGAT-UHFFFAOYSA-N 443.596 1.501 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2F)CC1 1740955104 LUVNGVHIRUALSA-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)c(C)s2)C1 1740957889 CXQIRLBXGGJDBH-HOTGVXAUSA-N 443.577 1.989 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C#N 1741131101 DEAVTCNCTCCMEQ-MAUKXSAKSA-N 448.549 1.714 30 10 IDEE CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1743190884 FDOBGHWTWXLEGN-FXAWDEMLSA-N 437.614 1.750 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1747433188 MCODXGMKMMJGOB-IYBDPMFKSA-N 432.550 1.760 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCN(CC)CC1 1748779733 UPGFSOXXNVMRLX-SFHVURJKSA-N 434.552 1.016 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1748826515 UVYUCRVNIRQPHX-QZTJIDSGSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCn1ccnn1 1748829126 VJYUFWOBSZICSN-UHFFFAOYSA-N 427.310 1.801 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1748892657 UOEXDNDAXKLATR-MRXNPFEDSA-N 435.550 1.168 30 10 IDEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1CCN1CCCS1(=O)=O 1748898111 BGFKWGWRLWORBY-UHFFFAOYSA-N 439.585 1.952 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCc1ccco1 1748914876 PGUHPNSYOWMBJR-UHFFFAOYSA-N 441.513 1.718 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749136052 KKTPAGXVRBNXFB-URVUXULASA-N 439.560 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1749729261 FRHHCQCIVYGDKJ-UHFFFAOYSA-N 446.577 1.333 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749756570 ZODCTPJFNKFQSY-CVEARBPZSA-N 439.607 1.301 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C 1752388794 TXEZLOQSVHJQIU-IAGOWNOFSA-N 447.561 1.882 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760136511 IFUOGBJHTFTWBZ-LJQANCHMSA-N 443.596 1.413 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760138240 USPYZQXCZFYPRD-DLBZAZTESA-N 439.582 1.276 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCN(CC)C(=O)OC(C)(C)C 1760192795 NVEZGWCHHKCIJL-UHFFFAOYSA-N 428.537 1.844 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1760199076 NWEFPQFGVQNLMA-INIZCTEOSA-N 428.514 1.470 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1760210002 LLXYCSFLNGDURP-RTBURBONSA-N 434.610 1.472 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2ccccc2F)CC1 1760258566 ZDEPXZZGCYQHSI-UHFFFAOYSA-N 433.491 1.664 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(NC(C)=O)cc2)CC1 1760273055 GZLJFAVNFBVEGW-UHFFFAOYSA-N 438.532 1.787 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760373769 BQVPOGAIPFVXJB-PMPSAXMXSA-N 445.973 1.226 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1760518670 YUDKCEGTEKSDSF-HNNXBMFYSA-N 444.923 1.720 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1760527439 XAYFOBYANAJVRU-MRXNPFEDSA-N 427.505 1.604 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760528478 DJGBODSLFJNQSP-GCJKJVERSA-N 433.553 1.485 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCC(C)(F)F 1763043560 FUAAEXNIFBGINC-UONOGXRCSA-N 445.478 1.651 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1767497292 JULIVKFWNYWBRY-WMZOPIPTSA-N 437.479 1.496 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1769845705 RYUUPTFZHMOXAK-IAGOWNOFSA-N 425.555 1.363 30 10 IDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1770648775 NHNZFZUZFIBNQV-JLTOFOAXSA-N 435.504 1.869 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1770977973 DFXFJLDEUREUBA-JOCHJYFZSA-N 442.520 1.075 30 10 IDEE COc1cccc(C(=NOCCCN(C)C)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 1853425282 BFVTWNNOMPRKEN-UHFFFAOYSA-N 446.529 1.798 30 10 IDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)C(=O)C1 1855396617 ZPDFFONDIJWPGJ-UHFFFAOYSA-N 425.510 1.908 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@H]2CCCO2)CC1 1857356774 OGAUEAXVAAIREE-QGZVFWFLSA-N 431.514 1.986 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862184066 ZYBFIYQXIQAGLV-FUHWJXTLSA-N 427.501 1.922 30 10 IDEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CSc1nnnn1C 1870284467 YQKZVCVYCSLKAZ-UHFFFAOYSA-N 440.529 1.888 30 10 IDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(C)CCCC)cc1=O 1870561183 CAYCKBVHLCMICC-UHFFFAOYSA-N 431.558 1.982 30 10 IDEE COc1ccc(OC)c(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874338280 OORIIDGMPUXCFA-DKNGMTOASA-N 446.533 1.479 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Br)ccc1O 1874434052 KWVWYJMUEIHQBJ-NGYBGAFCSA-N 442.295 1.530 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@H]2CN3CCN2CC3)[C@H]1c1ccc(C#N)cc1 1889363065 ALBBPMOZMPDXOX-TYPHKJRUSA-N 427.574 1.068 30 10 IDEE C=C(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2020853639 UOMKKGFGKHOBEE-CQSZACIVSA-N 446.375 1.618 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2022828534 XYERHRIQYQWTAN-KGLIPLIRSA-N 442.488 1.278 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)C=Cc3ccc(OCC#N)cc3)C2)cc1 2053604129 BSMPSPUWHAXGAK-UHFFFAOYSA-N 427.482 1.800 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107459843 YRDZYZBVGHFJQW-MYJAWHEDSA-N 433.137 1.290 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2255542364 QJZMALGZZIDPBZ-GJZGRUSLSA-N 432.330 1.553 30 10 IDEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629253 SRLRCXQLCSPBAS-UHFFFAOYSA-N 438.334 1.322 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255653866 OYUXJOMQQUIZDS-ZIAGYGMSSA-N 434.346 1.895 30 10 IDEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2255800542 UGSPHEKYNGIMQP-UHFFFAOYSA-N 446.382 1.224 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255827570 KQWNLGYYSVGNAQ-HIFRSBDPSA-N 432.330 1.790 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2255828711 GOANCVFNRVIFLZ-UHFFFAOYSA-N 436.314 1.911 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255838064 ZOUCKBMCXKCTCC-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE CC(C)[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255838692 JYPSBLRRMXWBJD-CYBMUJFWSA-N 437.350 1.393 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255853871 VNUNNJZBDGFTKG-HNNXBMFYSA-N 435.330 1.680 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H]1OC 2255859484 RLDMTNGEHFWSGD-ZMSDIMECSA-N 438.330 1.387 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267003841 VMAAFDQKGDANRV-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267548553 SMRDGGRGEBNDPD-UKPHBRMFSA-N 446.357 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2267581018 MQCACNYTANSGGX-HZSPNIEDSA-N 447.345 1.242 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCCN=S(C)(C)=O)cc2Cl)OC1(C)C 2282312321 UXMMQOLWNACAOM-UHFFFAOYSA-N 442.821 1.707 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CCC([C@@H](C)C#N)CC1)NC(=O)OCc1ccccc1 2286039148 GPEVAVYFTIGAKU-YJBOKZPZSA-N 437.518 1.656 30 10 IDEE C#CCOc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2286049634 QFYHQMIGBNDYAQ-GOSISDBHSA-N 432.454 1.820 30 10 IDEE CN1C(=O)N(C)[C@@]2(O)c3ccccc3C(=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@]12O 2297707620 FBLGRDBPYWFAER-QZTJIDSGSA-N 428.361 1.164 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2299088461 FULIXOREGDHAEH-CQSZACIVSA-N 444.359 1.065 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2329013383 GPMJHIMOHKSZFX-GFCCVEGCSA-N 447.477 1.076 30 10 IDEE CCOC(=O)N1CCc2c(sc(NC(=O)C3CCN(S(C)(=O)=O)CC3)c2C#N)C1 13704924 FMGLOQLDQVVXNS-UHFFFAOYSA-N 440.547 1.744 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccccc3OC)n2N)cc1 21319690 GNTYCOFHVVUTTB-FSJBWODESA-N 441.517 1.864 30 10 IDEE C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C1CC1 32831650 WNWDQOLWBBUPJW-GOSISDBHSA-N 444.479 1.820 30 10 IDEE CCn1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(OC)cc3)n[nH]2)cn1 59312003 ZVMQRRFJZABNRF-UFFVCSGVSA-N 428.522 1.927 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccnc1 102758981 NPWPUTIDUINSLN-LAFOYAEKSA-N 425.489 1.566 30 10 IDEE CN(CCCC(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1ccc(F)cc1 105288011 QEZJFYXYZADZAK-UHFFFAOYSA-N 445.520 1.842 30 10 IDEE C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 105317501 SMFNOWBNUOSMSD-INIZCTEOSA-N 425.507 1.436 30 10 IDEE CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447271538 ONPDJNIAQUVVMX-UHFFFAOYSA-N 437.363 1.934 30 10 IDEE COc1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)ncn1 461197931 UQOMSEYURGHSFZ-UHFFFAOYSA-N 429.502 1.525 30 10 IDEE N#Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 461204325 WATGYPRQZUWSKH-LJQANCHMSA-N 429.498 1.824 30 10 IDEE CCc1nnc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1CC 467284254 PLBDKAUGESZMFI-UHFFFAOYSA-N 429.502 1.325 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C 508596932 WEHOZDBIGPVIDL-UHFFFAOYSA-N 445.549 1.116 30 10 IDEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 514847240 ZWTAYIMUPBIRDZ-GOSISDBHSA-N 427.509 1.386 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C#N)o2)c1=O 525775671 JVADBPCKKAUAGQ-UHFFFAOYSA-N 449.488 1.806 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(CC(=O)N4CCN(C)CC4)CC3)CC2)o1 526003576 NQCFUUYVJBPZCM-UHFFFAOYSA-N 442.564 1.474 30 10 IDEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 543154233 UTIZYEWVWZVRKP-UHFFFAOYSA-N 440.550 1.048 30 10 IDEE COc1cccc(-c2cc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)n(C)n2)c1 544863786 AYBJGKPYGNKFDH-UHFFFAOYSA-N 445.483 1.650 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C 545544112 HFQXYWWBFIFORK-UHFFFAOYSA-N 427.530 1.587 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC)CC1 549399955 QCUAFJZOVDSCSV-UHFFFAOYSA-N 428.537 1.797 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 558982610 WCCFBIJRNMULOA-LLVKDONJSA-N 435.476 1.853 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2Cc2ccccc2)c1 565586963 SGAUFBLUTPQEHL-LJQANCHMSA-N 427.468 1.012 30 10 IDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 577654615 FEYUWXAHCZFOAU-IBGZPJMESA-N 449.577 1.863 30 10 IDEE CC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccccc1OCC(=O)NC 585722564 KSVOQEPENJVFAO-SFHVURJKSA-N 426.448 1.706 30 10 IDEE COC(=O)[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)Cc1cccc(F)c1 609414427 HHXGMPKTYYZUES-KRWDZBQOSA-N 447.488 1.698 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nnc3n2CCC3)CC1 610799263 HBXQOWNVWPURHF-AWEZNQCLSA-N 428.518 1.169 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CC1 642579101 PUEQFJSKQSXYRD-UHFFFAOYSA-N 445.520 1.523 30 10 IDEE Cc1nc(I)c(I)n1CC(=O)NCC#N 725538220 VCSBRBRIHQLZPR-UHFFFAOYSA-N 429.987 1.041 30 10 IDEE C#CCN(C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)[C@H]1CCS(=O)(=O)C1 729334537 SIZUHOJMOWUTLJ-PZJWPPBQSA-N 438.505 1.891 30 10 IDEE N#C[C@@H]1CN(Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)CCN1C1CC1 732672083 CQJYRKUZNFSZCO-MSOLQXFVSA-N 433.582 1.059 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 733675631 IGBQHVLRDGFKSV-NRFANRHFSA-N 448.504 1.941 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC(=O)N2C)cc1 734966961 QRHPKSDHYXYUAF-YLJYHZDGSA-N 427.482 1.900 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1 740212017 ZWGNJWLDGDFBKI-GOSISDBHSA-N 432.454 1.554 30 10 IDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)c1ccc(C#N)cc1 740236906 RWNVMJOTHYWGNT-LJQANCHMSA-N 430.438 1.324 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@@H]1CCCO1 743728705 OVFIFDOGSCTRER-AWEZNQCLSA-N 432.571 1.273 30 10 IDEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(S(=O)(=O)NCCO)s1 745144769 FPTPCOGQDGURHW-UHFFFAOYSA-N 430.891 1.931 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(S(=O)(=O)C(F)(F)F)CC3)cc2C1=O 755688205 AIDNVKWOMUIYEN-UHFFFAOYSA-N 445.419 1.512 30 10 IDEE CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 760900146 BLBNGTGYQOZWFQ-HNAYVOBHSA-N 447.561 1.042 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1)c1cc[nH]n1 772200862 NBGYRNCTNYHTCV-HNNXBMFYSA-N 431.468 1.738 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCc2nnnn2C)c1 772257289 QPCXQOBSZSGVCI-OQKWZONESA-N 434.526 1.167 30 10 IDEE C#CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 774014796 GLTCDPQTUMGHRD-QGZVFWFLSA-N 441.575 1.680 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C)cc1 782886277 KJRXHFLOOOBYSR-SQWLQELKSA-N 448.545 1.519 30 10 IDEE COc1cnccc1N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 794339147 LXFCNGPEIBJEKV-HNNXBMFYSA-N 443.529 1.256 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3nnc4n3CCOC4)CC2)cc1 797844503 GYEJDZBWDJYAKJ-UHFFFAOYSA-N 448.505 1.124 30 10 IDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 802441282 ZMVBRFJFTHHNAE-SFHVURJKSA-N 432.912 1.864 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)COC(=O)N4)n2C[C@H]2CCCO2)cc1 802687998 CRKVHBNUDGQQNQ-GOSISDBHSA-N 438.488 1.987 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 807706048 FNBMVOOSCWNVJQ-XEZPLFJOSA-N 445.463 1.516 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809802670 DUFCSBWNMNOUEZ-JXXFODFXSA-N 427.567 1.614 30 10 IDEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C)[C@@H]1CCS(=O)(=O)C1 809868309 FKRUITUITACPNR-OAHLLOKOSA-N 440.529 1.229 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 812310687 MMLVAJOBOXGUOS-ROUUACIJSA-N 429.521 1.838 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2=O)cc1Cl 1128693328 GDIURUUQLLQNDP-CJNGLKHVSA-N 444.841 1.944 30 10 IDEE C#CC[C@H](COC)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1131716901 CXHSKVCLSGYOQM-CQSZACIVSA-N 445.335 1.238 30 10 IDEE CC1CCN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2[N+](=O)[O-])CC1 1134645287 FQEZTFFFDDATCY-OXJNMPFZSA-N 432.502 1.841 30 10 IDEE COCCNC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(C#N)c(Br)c1 1137553725 SRWWMKQHLBQECH-INIZCTEOSA-N 426.311 1.993 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cn(C4CCC4)nn3)CC2)cc1 1144297280 AUGBNRPCISKDOY-UHFFFAOYSA-N 428.518 1.592 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1 1163047248 QAYYMRRPRRPOLC-CQSZACIVSA-N 431.436 1.271 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C(C)(C)C2)cc1 1214688264 YWASCSQCRZYMIM-HNNXBMFYSA-N 429.564 1.970 30 10 IDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1286340381 ZJTJUCLJUVWFTF-SFHVURJKSA-N 441.532 1.905 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1286391290 CHLPBPNJWKJNAW-PKOBYXMFSA-N 441.557 1.520 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccco2)CC1 1286486892 RGVKWYGEKPYIAC-UHFFFAOYSA-N 426.521 1.804 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286711632 QMBRVIZJVDSCBB-UHFFFAOYSA-N 436.520 1.686 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1286810856 WROCLJVBHOUUSH-AZUAARDMSA-N 441.532 1.866 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1286969345 PAUMZIKMRQQAEE-QAPCUYQASA-N 445.545 1.870 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(Br)n1 1288169614 HRQYNWAOUJXWBO-ZDUSSCGKSA-N 434.298 1.351 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1288708839 GBCWCBNQPCAOFZ-SJORKVTESA-N 446.502 1.844 30 10 IDEE CCN(CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1295569346 BOFOVFROPKQJAC-CVEARBPZSA-N 431.566 1.729 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1295707742 UGVJVEQOPINDQI-QGZVFWFLSA-N 442.582 1.295 30 10 IDEE CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1296174176 PFVMIEZRDHWSGF-YGKKUGEXSA-N 429.525 1.186 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1297681402 XKFCCOCCOLYDGV-FQEVSTJZSA-N 433.534 1.493 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1300309719 IJHJWAZBOWHSDV-SJORKVTESA-N 448.568 1.959 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300323330 YTZLINFUQJNFDE-IEBWSBKVSA-N 436.516 1.682 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1300421858 UFVBOCZCXAMCPE-UHFFFAOYSA-N 430.450 1.836 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1300479402 NQVNJKRMDJSWNF-RCCFBDPRSA-N 449.577 1.024 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1300538491 RABXIQVCVKDXPT-QUCCMNQESA-N 441.557 1.488 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)nc2)CC1 1300695696 GJKUVKFQSANFEI-UHFFFAOYSA-N 431.548 1.780 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1300697685 HARRDHNANPWAJE-UHFFFAOYSA-N 436.560 1.816 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300764301 WDIGZXIFVUIMFG-QGZVFWFLSA-N 432.594 2.000 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1301151516 NIMJEBVDSYOZKF-IAGOWNOFSA-N 441.598 1.829 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCOCC1 1301341130 IKTPMMZGISHMCD-UHFFFAOYSA-N 438.532 1.566 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(OC)CC1 1301585179 HYIDPDPBRWVDCL-KXBFYZLASA-N 425.555 1.225 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301923474 NPKMXSIKQNCUNM-RBUKOAKNSA-N 437.504 1.205 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1303496896 LLRGBORCTBNUEJ-FCHUYYIVSA-N 442.495 1.908 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)NCc2cncc(C#N)c2)(C(=O)OC(C)(C)C)C1 1303862057 STOZNCCMHXHZNX-QFIPXVFZSA-N 446.504 1.917 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cs1 1304673864 DXVVCADCXKNQJX-LBPRGKRZSA-N 429.428 1.041 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1305146963 ATTXIMQUSLEIGL-BLRPHQBRSA-N 447.499 1.958 30 10 IDEE C=CC[C@@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccncc1 1312022136 RJXCQSRKIHYNPQ-OAHLLOKOSA-N 435.472 1.859 30 10 IDEE CC#CCCNC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1312524764 DAQRHLGDLMBJJX-ROUUACIJSA-N 433.553 1.977 30 10 IDEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1314230818 ANBWHXLIFGVLRZ-UHFFFAOYSA-N 438.513 1.894 30 10 IDEE COc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1315457461 DJMAVPBNJZDSEX-SFHVURJKSA-N 433.472 1.905 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1358889938 JFLALRFDOVSKDK-SJLPKXTDSA-N 429.546 1.377 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1358896098 XBJCNOGOZPKALZ-GHTZIAJQSA-N 436.560 1.473 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCOCC1 1358939651 AUGIMBMQAYRHOV-INIZCTEOSA-N 445.593 1.337 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 1359304207 QFWBLQNBMZMLHR-GOSISDBHSA-N 442.495 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359333942 OVFNJMOUDHBRSP-KRWDZBQOSA-N 449.552 1.701 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359334008 QQPRLOXADYGUFT-HNNXBMFYSA-N 435.525 1.276 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359334912 UTCMXHAILBQSNS-JOCHJYFZSA-N 443.573 1.523 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CCO1 1359446549 DABHTQYDGUYXBV-IBGZPJMESA-N 435.488 1.811 30 10 IDEE CCOC(=O)Cc1cnc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1451600572 HDRPUWOUPDXTCJ-LLVKDONJSA-N 436.515 1.705 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 1468990021 HDVOLCAEYGMYMV-MSOLQXFVSA-N 426.542 1.958 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4Cl)C3)C2)c(=O)nc1O 1478563468 IAOJOLKSCHYEIM-CYBMUJFWSA-N 449.298 1.973 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CC1=O 1504901915 WKYOSDJCISTUCF-CABCVRRESA-N 443.508 1.239 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccccc1F 1505001628 UQFUCTUPJRXWSZ-HOTGVXAUSA-N 446.483 1.300 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507572733 VUWXFIKOFYAXFU-MRXNPFEDSA-N 441.540 1.142 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1507596122 CVTUSEMHTFDYLL-UHFFFAOYSA-N 436.560 1.589 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(Cl)cn2)CC1 1507715882 JQVIDMJXMRVKIS-UHFFFAOYSA-N 431.928 1.299 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)CC1 1507723220 ZXUNXIWUVGXISQ-JOCHJYFZSA-N 433.560 1.419 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2COC)CC1 1507732958 MFGHZQQUYZMKDJ-VXKWHMMOSA-N 439.560 1.952 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507795719 FJKFDSVHTVAUMX-PZJWPPBQSA-N 446.596 1.411 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507951221 DHAZDZVMIFCKID-GOSISDBHSA-N 429.569 1.949 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1508001166 KRAPIBLJMMUJNE-INIZCTEOSA-N 429.550 1.863 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)CC)C1 1508128308 XGTOUJHJQYSJMG-SQNIBIBYSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508135827 BEEWMBSMUXWWPL-MRXNPFEDSA-N 434.566 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCSCC1 1508145017 ZQEFDPYNYXBYLO-UHFFFAOYSA-N 441.604 1.424 30 10 IDEE Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1511817063 BKPLUSDDBUGBDH-PEZBUJJGSA-N 426.399 1.461 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2OC)CC1 1524011261 SQMRXYGKAGGHSA-XMSQKQJNSA-N 436.512 1.947 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1=O 1532419775 GOSZECOKKUQMBI-UHFFFAOYSA-N 434.290 1.865 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N2CCOCC2)CCSC1 1539194054 QTCLGSFQINPDQF-OAQYLSRUSA-N 429.594 1.417 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539315623 PYQHLXMXIYHLTD-GOSISDBHSA-N 426.546 1.393 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(COC)CCOCC2)CC1 1539482809 XBZZVKLNJRGTTM-IBGZPJMESA-N 445.564 1.191 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539627225 IHHWRQFJGDPSIE-NSHGMRRFSA-N 427.553 1.873 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1540033350 GAVGEOYMKGYZKF-UHFFFAOYSA-N 442.568 1.016 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCSCC3)CC2)c1 1540506309 RGNPRKVLMWKLHR-UHFFFAOYSA-N 439.559 1.574 30 10 IDEE CC(C)(C)OC(=O)COCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1540832586 RVMYFBMKDNBZFK-UHFFFAOYSA-N 431.468 1.872 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540865587 LHQIDEUAHMMZAL-SFHVURJKSA-N 431.562 1.823 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@H]1C 1540866907 DYGSTLDGHRYLMP-OAHLLOKOSA-N 440.504 1.076 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C(=O)OC)CC2)C1 1540882912 QKYRSWNTPDAQAX-KRWDZBQOSA-N 434.541 1.676 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1540917044 MJWKSCRZBFAVFZ-QGZVFWFLSA-N 449.602 1.835 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1540961122 WHIAWZHQWVVZKU-IPJJNNNSSA-N 446.552 1.306 30 10 IDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)COCCO1 1542020198 NJCKDAULVAOCEO-FQEVSTJZSA-N 431.518 1.103 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 1544630367 IHEZKMFMYDJWPU-JYJNAYRXSA-N 435.546 1.589 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1548281515 ZZCQUTANUGQLSE-QFIPXVFZSA-N 442.589 1.843 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555692441 DUDKEJBRXMCBBX-JLUOLNIDSA-N 444.536 1.704 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)ccc1F 1556854022 BIBLHICLPDENHQ-UHFFFAOYSA-N 435.481 1.048 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2OCc2ccccc2F)CC1 1558074966 KZSIWQIAMNESTH-UHFFFAOYSA-N 432.477 1.025 30 10 IDEE Cn1nnc2c1CC[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1570817024 NYSCCDJAEIMFKJ-AWEZNQCLSA-N 430.534 1.088 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCCc2c(C#N)cccc21 1585496077 ZHRRAPQWOJDYLW-UHFFFAOYSA-N 432.523 1.970 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1587028015 ZDSXWAJQRNQQIP-CQSZACIVSA-N 437.497 1.551 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1588198100 GBEINSKIGSOHGK-UHFFFAOYSA-N 440.569 1.910 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](OC)[C@H](OC)C1 1589036392 FWDBPELKPLPXMH-KDURUIRLSA-N 430.530 1.933 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1589530895 ZBCTZPNWMGMYME-FUHWJXTLSA-N 426.525 1.568 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1593694820 ALVKGLISPCVJKU-WMZOPIPTSA-N 441.598 1.876 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1594733555 VCXPZXVMIXGWQW-APWZRJJASA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@H]1C 1594797826 IOWSKXZZWQFYLW-MRXNPFEDSA-N 427.505 1.976 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1597131672 HEANDOQMFPOMTO-ZWKOTPCHSA-N 425.537 1.709 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1602821775 DYDJBMPXADJUAY-SFHVURJKSA-N 443.577 1.962 30 10 IDEE CN(C[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1618103512 YWXRTEBQDSUYER-OAHLLOKOSA-N 443.533 1.894 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619630215 QYSANSWRPKOOTN-OWQGQXMQSA-N 446.483 1.522 30 10 IDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)c1OC 1621603716 CUBLXSSYNHZHIP-UHFFFAOYSA-N 429.498 1.917 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C(=O)C1 1624735455 ZMPLUGBOYGWQLG-UHFFFAOYSA-N 438.488 1.821 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CC1 1628147111 WZOAAOVZJSUODL-SFHVURJKSA-N 436.597 1.942 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1631265776 TVMPEIAVJGEJCX-LJQANCHMSA-N 444.557 1.772 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)s1 1631843510 FKPBEMUQLZHJPI-OAHLLOKOSA-N 448.526 1.144 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c1 1634259836 IUKXLABYKWHZHU-MISYRCLQSA-N 444.557 1.291 30 10 IDEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1640161511 ZYDPUDDGYXYZEM-RBZFPXEDSA-N 438.477 1.553 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)s1 1640457199 SCCRELHYOAPUJL-UHFFFAOYSA-N 433.555 1.939 30 10 IDEE C#CC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)C(=O)OC 1642411413 VMNUATMUQTVVTK-LEWJYISDSA-N 440.521 1.792 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1645262997 LPXGMCWMHVXECY-INIZCTEOSA-N 449.529 1.106 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@H](O)C4)C3)cc2C1=O 1651502622 LYEZOANMJIFDRN-KURKYZTESA-N 439.512 1.741 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C1 1651801589 BHVSSKQECFKRBW-AWEZNQCLSA-N 428.352 1.527 30 10 IDEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653072375 BCRLBIVYLWICLG-RYGJVYDSSA-N 427.567 1.960 30 10 IDEE C=C(C)COc1cccc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1 1658983769 LSLNOQSMFPAURF-UHFFFAOYSA-N 430.552 1.763 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OC 1670892630 CGUPSHUTVSIIFP-KRWDZBQOSA-N 430.548 1.647 30 10 IDEE C=C(C)CN1CCC(NC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)CC1 1684027513 YZCWKKJKZWGQIT-UHFFFAOYSA-N 435.594 1.467 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 1686876055 WXXLNXKWFLFXKU-PMACEKPBSA-N 441.532 1.626 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCN(CC)CC1 1689848598 YKDQYHACOOYREL-ROUUACIJSA-N 441.580 1.737 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1689850602 FERVZFGDNILCAA-GOEBONIOSA-N 448.545 1.712 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689986394 OUMIGVWFPFVPCE-CVEARBPZSA-N 436.509 1.565 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689989262 CMLHLWWKYMGKIM-LJQANCHMSA-N 449.621 1.409 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2occc2C)CC1 1690138341 ZIXPYBPQDVUILV-HSZRJFAPSA-N 441.532 1.846 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690179202 QKSWCAIRUCFBPX-FQEVSTJZSA-N 426.590 1.789 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690497304 MUVNMZZFRQHPAB-CVEARBPZSA-N 441.492 1.453 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1690527465 OPCPEYRFUSZWND-QGZVFWFLSA-N 432.550 1.082 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690675419 ZXVYVWINMFXCFL-CVEARBPZSA-N 444.561 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690724840 XGAJXBRGUAZBCT-BEFAXECRSA-N 439.538 1.151 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690726896 PQXAXDVKBXCNFJ-LJQANCHMSA-N 446.577 1.169 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1692747358 BZHATSBATWKYJH-GDBMZVCRSA-N 430.513 1.568 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693819173 XNQZZKOERZTGNG-WGLILOHCSA-N 440.479 1.760 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694038760 RDNNKHKADQQLDD-XJUSKDBGSA-N 429.525 1.280 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1698489993 GKPCXFZGOXVDLQ-HXUWFJFHSA-N 433.509 1.298 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1705569108 ZKMOVJWTOOXYTD-LPHOPBHVSA-N 432.546 1.543 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705569708 JJYTVQSDHWSEMM-CYBMUJFWSA-N 433.481 1.823 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1705589878 WVJADTBILJJMMV-UYAOXDASSA-N 442.589 1.654 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2)CC1 1705644466 RHCBMBLYMNVOKR-QGZVFWFLSA-N 432.594 1.668 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnn(C)c2)CC1 1705645882 ICAVDEICFHTGSS-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705704561 WNXWGXNMWJHCMQ-PKOBYXMFSA-N 446.577 1.793 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705705056 CHBDJUWZHBGCJZ-QUCCMNQESA-N 437.610 1.977 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705729216 PMNKIUMTUKKIAY-FPOVZHCZSA-N 446.596 1.713 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1705894579 CXRDQSFLEJIMQP-MOPGFXCFSA-N 433.516 1.560 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705899609 ZUFBLELWYQZVNR-AWEZNQCLSA-N 437.953 1.914 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCOC2)C1 1705907938 CHMLEGBUBDRFEE-QFIPXVFZSA-N 427.505 1.785 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705932898 NFPHPOUENVBXPC-LJQANCHMSA-N 426.546 1.722 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccn2)CC1 1705936269 MXRJHZTWBOLHFG-GOSISDBHSA-N 446.577 1.495 30 10 IDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1709404102 MMSCITDBMANHQN-AATRIKPKSA-N 437.548 1.905 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710297265 CLXIWBSEKVCYAW-UWJYYQICSA-N 432.548 1.089 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1 1710329665 DNSSFQQEJDXBFB-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCOCC(F)F)cc1 1712880192 AFXDUKVBDWTWGV-OAHLLOKOSA-N 434.447 1.712 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1722277418 NIJBNCJIFBWNOD-QZTJIDSGSA-N 444.605 1.990 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1722307999 CZZHQRCLMDBBSI-QGZVFWFLSA-N 446.577 1.724 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCOC)CC1 1722508100 QRORIFFJBXGEJI-QRFRQXIXSA-N 433.553 1.842 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1722630058 UIISKLYREAKAHA-ZWKOTPCHSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1722697401 JBXGBKLVUFIECC-IRXDYDNUSA-N 442.568 1.502 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722697582 MSEJERYQRSWQOF-JOCHJYFZSA-N 444.536 1.949 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1722702506 LSSHBQCXZRVQIB-LZLYRXPVSA-N 433.553 1.888 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1722703342 ZOWXGYZBZLQGFN-UHFFFAOYSA-N 427.465 1.247 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722704867 YLFFCDKTBQLXSC-NRFANRHFSA-N 435.525 1.010 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1722715844 QJUXDMKIQVLEPB-FQEVSTJZSA-N 436.516 1.847 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1723645813 GMNCBWLHRIBOIJ-UHFFFAOYSA-N 436.520 1.335 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1723771482 FWJULYLNOHZMKJ-MRXNPFEDSA-N 442.549 1.761 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCOCCCO 1726642443 HVNDNPDLTOKWMY-KRWDZBQOSA-N 442.568 1.642 30 10 IDEE CN(C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1729392236 NTXRULKDRHEAOR-UHFFFAOYSA-N 441.517 1.713 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCNC(=O)c1cc[nH]n1 1740603217 KJLVAAIOICXYQM-UHFFFAOYSA-N 434.323 1.992 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740622715 HPHWYHYYXPRTJU-KRWDZBQOSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1740623180 POJIVZKQMXHWTN-SFHVURJKSA-N 431.566 1.324 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740638339 GTWNQEHZZDWSFU-OKZBNKHCSA-N 440.548 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740689447 AGKJHRYLCHIOAN-PMACEKPBSA-N 429.613 1.490 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)OCO3)CC1 1740689476 XHBAFVGFTPOYKK-UHFFFAOYSA-N 438.532 1.729 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740885501 IKGCGZRVSZPUAC-NVXWUHKLSA-N 444.540 1.397 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1740959861 GENYBSPMYZGKCK-KZNAEPCWSA-N 432.569 1.605 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1741123728 ANQMONRUHBXFJC-NEPJUHHUSA-N 445.471 1.946 30 10 IDEE CC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1743831784 LICUFLAAXJAXBY-YOEHRIQHSA-N 436.538 1.606 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CCC1 1748664753 JEBJWDFMZJAODG-INCQDFKNSA-N 448.618 1.997 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(N)=O)CC1 1748706954 WGYPWBZTVZOFJS-UHFFFAOYSA-N 433.520 1.816 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1748880449 WPOQBUMPXMRXEN-UHFFFAOYSA-N 429.546 1.744 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1748892578 RNJIUPAJDZPSAZ-RTBURBONSA-N 434.562 1.086 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N(C)C)CC1 1748977601 JJYBVXIBNIRYJG-KRWDZBQOSA-N 428.512 1.791 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1749033246 CACCNRZWLXULAN-CQSZACIVSA-N 439.545 1.779 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1749354236 LRHDRSWXDKBWSV-CQSZACIVSA-N 428.559 1.379 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1749487703 GWCHKSWVUGKVJO-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)NC(C)(C)C 1749676629 XNQYQCJVTOJYCJ-UHFFFAOYSA-N 428.537 1.531 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OC)CCCC2)C1 1749696733 DEUJUNIOIFTAPF-HOTGVXAUSA-N 427.571 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749734923 NZJJFBIWLVPPJT-BFHYXJOUSA-N 438.472 1.539 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](C)N1CCCCC1 1750154519 PPHSRBQZSLZHQM-MUGJNUQGSA-N 432.569 1.995 30 10 IDEE C#CCCCn1c(N2CCC(C(=O)NCC#C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159871 RGFLTVHQQHEXNN-QHCPKHFHSA-N 427.549 1.698 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1760214587 VDYSTMDKLMOXRY-UHFFFAOYSA-N 438.513 1.516 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2CF)CC1 1760261412 LLAPPDRNQYSZQR-KSZLIROESA-N 448.543 1.872 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@](=O)C(C)(C)C)CC1 1760265286 VOZXNJPNTASHMY-KSZYLEPESA-N 437.610 1.305 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1760336809 JLODZRJEVAUNMU-HZPDHXFCSA-N 430.596 1.407 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC)[C@H](C)C1 1760514579 AFWPBAJRSIZQIW-CYBMUJFWSA-N 436.358 1.868 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(=O)NC)c2)C1 1760534251 UDULWPJKTLUXDU-LJQANCHMSA-N 440.548 1.800 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nccnc2C)CC1 1760548956 TXQGLJCSCHQNPL-INIZCTEOSA-N 433.582 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(F)F)CC1 1760552681 XNSGAIZXWOLZLH-UHFFFAOYSA-N 426.493 1.328 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1761292195 VZJWHONBZIWFAV-XMSQKQJNSA-N 446.552 1.354 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)cs1 1762297006 QUGGBDCBNYJKGV-KRWDZBQOSA-N 431.566 1.473 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCN1CCOCC1 1762611674 QGYLNFACDCHACJ-KRWDZBQOSA-N 425.541 1.076 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CCN2C1=O 1765297085 SGMRWHCZYXBRDO-MAUKXSAKSA-N 436.520 1.240 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C(C)(C)C 1766336102 UETPMAVWPCLVKO-UHFFFAOYSA-N 427.509 1.512 30 10 IDEE CCO[C@@]1(c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1767494679 ADDHXUWUCWAUBU-VSCDNMSMSA-N 448.499 1.251 30 10 IDEE CO[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1768225992 BLFYNOLMAUTAQP-WIYYLYMNSA-N 445.545 1.494 30 10 IDEE CN(CCC(F)(F)F)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768831062 OHSFUEHDFXRBNH-GASGDFKYSA-N 428.415 1.697 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1769124889 FRLJCXCOEGMFOJ-ATZDWAIDSA-N 447.561 1.738 30 10 IDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1769273490 DAESJUNERMZBJQ-UHFFFAOYSA-N 449.519 1.258 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C[C@H]1C 1769899614 GCUSDHCYJVXZAV-WZONZLPQSA-N 440.548 1.779 30 10 IDEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1771276282 VRTWOOOXYAKVGE-GOSISDBHSA-N 444.511 1.782 30 10 IDEE COc1ccc(N(C(=O)c2ccc(N3CCOCC3)nn2)C(=S)N=CN(C)C)cc1 1851891602 RMUSERBPSKPLCA-UHFFFAOYSA-N 428.518 1.843 30 10 IDEE COC1CCN(CC(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)CC1 1852790900 XQUNNRUITJAOPR-UHFFFAOYSA-N 427.958 1.444 30 10 IDEE C=CCN(C(=O)[C@H]1CS(=O)(=O)CN1C(C)=O)c1nc(-c2ccccc2)ncc1OC 1853101793 MZRSPAAZTYECBW-MRXNPFEDSA-N 430.486 1.274 30 10 IDEE C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854646206 WHIFTIBQZNHBDA-HOTGVXAUSA-N 427.482 1.774 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cc4ccccc4cn3)C2)CC1 1857042368 WWUVERNYXWVJIR-SFHVURJKSA-N 426.498 1.789 30 10 IDEE C[C@H](Oc1ccccc1F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857063885 LMOZMQNKKXLVDG-GOEBONIOSA-N 437.493 1.533 30 10 IDEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 1866576860 AHPSRRVNZJTUAW-FXAWDEMLSA-N 441.509 1.755 30 10 IDEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870605243 VGPPTANQMGNJRN-UHFFFAOYSA-N 427.545 1.774 30 10 IDEE 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IDEE CC(C)(C)OC(=O)N1CC[C@H](OC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248443879 SCOBPVVKXKCUIM-NSHDSACASA-N 440.331 1.817 30 10 IDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2255601450 GKWJFPFOMHJAAG-QWHCGFSZSA-N 435.334 1.725 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255658744 IJAZVSPPVKVVFC-MNOVXSKESA-N 430.236 1.238 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255660718 JWSPUVIQMQQJKH-CHWSQXEVSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255818232 IFCYCKSBRANBFD-HUUCEWRRSA-N 436.314 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826989 FVMPZTZSOPVODO-UHFFFAOYSA-N 432.330 1.934 30 10 IDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255830896 MIWYLIYXTLXSNJ-STQMWFEESA-N 432.330 1.646 30 10 IDEE CO[C@H]1[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2255859483 RLDMTNGEHFWSGD-UXLLHSPISA-N 438.330 1.387 30 10 IDEE Cc1cc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255880226 BMTKNGCCGJYHIH-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE Cn1ncc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2267002742 FEEKVDBWFKBDMD-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267114979 FPLIEPQBPJRYSB-AWEZNQCLSA-N 449.361 1.443 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)nc2)OC1(C)C 2267267186 VBGMBEHWYYCPMI-KBPBESRZSA-N 439.243 1.759 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC[C@H]1CO 2267281737 XKVMMDSSJNANBG-YOEHRIQHSA-N 449.357 1.662 30 10 IDEE Cn1cc(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267528246 CNSTTYJVBMIEDO-ROUUACIJSA-N 436.365 1.970 30 10 IDEE COc1ccc(/C=N/Nc2nc(SCC(=O)NC3CC3)n[nH]2)cc1OCn1cccn1 20424486 VTRGQEVIUNBWBD-KEBDBYFISA-N 442.505 1.863 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 436621984 FNFNMKSIAPYRKI-ZDUSSCGKSA-N 428.449 1.892 30 10 IDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 438743848 KAZFFCLFQGFWIP-MOPGFXCFSA-N 444.557 1.999 30 10 IDEE Cc1cc2c(N3CCN(CC(=O)N4CCN([C@@H](C#N)C(C)C)CC4)CC3)ncnc2s1 444696463 IIIQPRXSRICHPQ-IBGZPJMESA-N 441.605 1.814 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 460802737 LBXPGJXKXAUNRV-APWZRJJASA-N 427.571 1.583 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC2CCN(CC#N)CC2)c1 461712862 QWJOGEVPJGAYIJ-UHFFFAOYSA-N 433.578 1.502 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 478747451 OQDQHVBMGJPXIF-CYBMUJFWSA-N 441.509 1.993 30 10 IDEE CCN1CCN(C(=O)CC2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)CC1 481025184 ZWCPHTDSJUVIJB-UHFFFAOYSA-N 436.553 1.793 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)C1=O 482021956 VMSNJSQAJDULNR-IEBWSBKVSA-N 426.473 1.066 30 10 IDEE C=CCCC[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 487772809 VMNOLDPFPKTBIJ-PKOBYXMFSA-N 444.580 1.229 30 10 IDEE COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)cc1 503641420 HELQIGGTFIDYJI-UHFFFAOYSA-N 442.497 1.694 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCNS(=O)(=O)c2ccccc2)cc1 503724505 IVCOEFBBCQYLDV-SFHVURJKSA-N 444.538 1.767 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@H]1CCCO1 505699273 HIYIVQMRMNWDLI-QGZVFWFLSA-N 435.505 1.640 30 10 IDEE Cc1cc(N2CCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)CC2)n2ncnc2n1 505798908 JQXSNLVLUQLGDP-UHFFFAOYSA-N 427.472 1.761 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 508466066 SGWIHHPEJMEFIU-FQEVSTJZSA-N 441.532 1.896 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 511357473 CLEAJQWVNHVUMA-LBPRGKRZSA-N 425.454 1.669 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 522390305 CWEKJJUKMZVMBL-UHFFFAOYSA-N 443.544 1.499 30 10 IDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)C1 586859159 UOEIYJAHWVPWKS-LPHOPBHVSA-N 443.523 1.153 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@@H]1CCCO1 590915616 NZHXUCWQDXCMIX-HNNXBMFYSA-N 443.500 1.042 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cccc(CC#N)c3)cc2)CC1 619461491 LYCPIZXDYJDGOT-UHFFFAOYSA-N 434.543 1.490 30 10 IDEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670233976 DPWRQKOHKODXSR-INIZCTEOSA-N 438.488 1.765 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 679527245 QBYMXZJMEUHXJA-UHFFFAOYSA-N 425.507 1.127 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 731860947 BIEUVUJZTHZKHZ-XUTLUUPISA-N 446.529 1.426 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C\c2cncc(C(=O)NC)c2)c1 731981464 AKWICJPKAQHRSM-FPLPWBNLSA-N 432.480 1.328 30 10 IDEE COC(=O)c1cc(Br)cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 736336775 CJOZHXUUTNWPII-CQSZACIVSA-N 428.308 1.597 30 10 IDEE COC(=O)[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)c1ccc(C#N)cc1 740235925 FSKZUYKZBZHWDI-CEXWTWQISA-N 426.400 1.730 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 754387332 DIFJCYDBIJYJET-ZDUSSCGKSA-N 425.511 1.286 30 10 IDEE CN1CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)O 757473506 FVKDWINDLGFSOT-JOCHJYFZSA-N 447.491 1.756 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 767726537 SSWAMWPOAYSDGA-LSDHHAIUSA-N 431.507 1.052 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(C)c2C2CC2)cc1 770778250 NKIFSLQCVUJHES-JJIBRWJFSA-N 444.517 1.688 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2COC3(CCOCC3)O2)C1=O 776742751 PYSYRHJLHPPDBW-HZPDHXFCSA-N 437.493 1.815 30 10 IDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)C1 780209075 HEJOXPQEKMUAGQ-HRAATJIYSA-N 427.501 1.632 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 783136490 KEUHGOXDCPMKHF-KRWDZBQOSA-N 437.481 1.984 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)n1 788813853 KLZGJUFSFPCGIG-UHFFFAOYSA-N 442.520 1.821 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 790301026 DOAKSRQTICBDHA-IRXDYDNUSA-N 427.482 1.630 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796611101 ABMSJLZQDGGXPV-FUHWJXTLSA-N 429.502 1.485 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 812178666 CXBBIRDQAZZJPS-CVEARBPZSA-N 448.524 1.803 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 917767681 DTLAIBDUTMDIEA-OAHLLOKOSA-N 444.582 1.416 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccccc2I)C1=O 1134053937 ORROJVLIZDLVKF-UHFFFAOYSA-N 428.182 1.311 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1)c1cc[nH]n1 1147421716 VFENPORLYHSPQG-QFIPXVFZSA-N 440.456 1.720 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 1164674686 YITLPANPYLDQPY-AWEZNQCLSA-N 428.270 1.632 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CCO2)O1 1175935937 RFAXLIMEOVWWPW-HKBOAZHASA-N 446.523 1.387 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CC2)CC1 1210111178 ILIHFJXFSIKNDW-UHFFFAOYSA-N 439.965 1.575 30 10 IDEE C=CCCSCCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1229733196 QUOGWBWBPCXEBL-UHFFFAOYSA-N 427.548 1.439 30 10 IDEE O=C1C=COC2(CCN(C(=O)NCCNS(=O)(=O)c3ccc(Cl)s3)CC2)C1 1230656597 IQQHTPZAPXFFDA-UHFFFAOYSA-N 433.939 1.727 30 10 IDEE CC(C)Cc1ccc([C@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)N(C)C)cc1 1251685436 YEDNCBHZLBUWIV-FQEVSTJZSA-N 438.532 1.888 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1conc1COC 1286289029 JQRIDHHMNJIWCW-CQSZACIVSA-N 433.472 1.833 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1286297491 BVGGXLIYYOAJRX-KBXCAEBGSA-N 439.545 1.780 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286389442 KDYLQSYADIXZHC-IBGZPJMESA-N 445.593 1.181 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC1 1286490875 VSJYMUJNNYAJRF-CQSZACIVSA-N 440.470 1.784 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@H]21 1286831420 DQHNIHQSLYOCSF-ZACQAIPSSA-N 441.623 1.909 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1287461830 CXYJXYIHRAIRIL-LJQANCHMSA-N 425.537 1.732 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1293011552 JTNVTZFPUHFXGZ-FQEVSTJZSA-N 433.574 1.456 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)s1 1293982949 XVMQHCPYLBYHKB-NRFANRHFSA-N 449.598 1.508 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1300309561 VAIUNBBGZBWWTO-DOTOQJQBSA-N 443.529 1.643 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1300403007 DHYAPYDCHLMJBG-HNNXBMFYSA-N 429.550 1.319 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1300479778 RYULYPBYYOFHIT-SFHVURJKSA-N 431.562 1.641 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300495985 MDYPEYFSQUROBN-RDJZCZTQSA-N 435.575 1.960 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1(=O)=O 1300595644 DYYPPMDPYYCHMM-FHWLQOOXSA-N 434.562 1.432 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1300631022 KOCDJTJTMMYEKG-GOSISDBHSA-N 428.562 1.683 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCn2ccnc2C)CC1 1300709684 BBJKAUQNTXPLIU-UHFFFAOYSA-N 435.532 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(OC)C2CC2)CC1 1300725464 HMQDEHDMFYIAEL-MBSDFSHPSA-N 429.565 1.953 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1301348534 CJTWRWFOBXZNPM-OALUTQOASA-N 432.546 1.788 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1301423929 DUMUOQULVQAWSV-GOSISDBHSA-N 425.599 1.695 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1301555178 UOLDMFZMOLPEEF-OWCLPIDISA-N 434.541 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301585454 BEIKZTCXYSAWBL-MOPGFXCFSA-N 438.594 1.996 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301613175 VJBHCZJHPSCJGH-JKSUJKDBSA-N 446.581 1.971 30 10 IDEE CC(C)NC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1303447020 BQRWGIOHMZSVEP-LJQANCHMSA-N 448.528 1.205 30 10 IDEE CCC1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN(C(=O)c2ccccc2)CC1 1305589272 GCCYZKDKDIMDOP-UHFFFAOYSA-N 435.484 1.536 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1358890124 LMIQSEAYAATFEM-DOMZBBRYSA-N 438.579 1.191 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1358896100 XBJCNOGOZPKALZ-RXVVDRJESA-N 436.560 1.473 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358961003 PYVPFGOKDKFTHR-WMZOPIPTSA-N 431.562 1.725 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358965716 ZVBOXRCBVDGZHC-RLLQIKCJSA-N 445.589 1.952 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1359007404 IPCCNVBLUFMTDJ-UHFFFAOYSA-N 433.516 1.661 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1359031181 SPPKREJNNIOPNG-PWHSHALESA-N 431.581 1.889 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359294248 OVUPVAYKAZNPJT-QFIPXVFZSA-N 440.504 1.123 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359296603 OTFNRXVXBPJOOV-UHFFFAOYSA-N 445.531 1.488 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359304902 NBPGCIOIJCJKOL-QGZVFWFLSA-N 439.495 1.475 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)(C)C)CC1 1359331180 PQYGNCZDBGEYFB-UHFFFAOYSA-N 435.598 1.590 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1360172370 GYVKXAOJUYZDSK-UHFFFAOYSA-N 439.564 1.771 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C#N)CCS3)c1 1435091067 JBFYXENYMJXJRD-UHFFFAOYSA-N 425.517 1.529 30 10 IDEE CSc1nc(O)c(C(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1C#N 1440150402 DKRIADQEWQOQNJ-ZUZCIYMTSA-N 435.449 1.962 30 10 IDEE COc1cc(N)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1S(C)(=O)=O 1443199570 FCHCDVWDDGCPGJ-UHFFFAOYSA-N 428.514 1.905 30 10 IDEE C=C(CN(C)C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451442472 GNYXTSXHQRRZJQ-ROUUACIJSA-N 435.569 1.498 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C#N)C3)CC2=O)cc1 1455566126 CGLGFQKYCAKCGM-SJORKVTESA-N 432.546 1.832 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)C1 1460936281 ANMLEUVUJQQRDK-QGZVFWFLSA-N 431.562 1.962 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 1465665849 JTFZLMDQVUHZBO-IRXDYDNUSA-N 431.599 1.813 30 10 IDEE N#Cc1cccc(ONC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1471085333 CIWUXPVGHGIQKX-UHFFFAOYSA-N 431.470 1.888 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NOc2cccc(C#N)c2)cc1 1471085483 FKZQLVGCFDNRPA-PXNSSMCTSA-N 429.498 1.916 30 10 IDEE N#Cc1nc(NC(=O)NCCS(=O)(=O)NCc2ccccc2)ccc1Br 1476945843 HHJAJEJDIDIGRT-UHFFFAOYSA-N 438.307 1.957 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCCCO)n1 1492517977 MGIXUAIWNJZAQS-GOSISDBHSA-N 427.578 1.941 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1505003047 YAAAPLCOBVELBN-CVEARBPZSA-N 438.529 1.598 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1505072663 LPSRVWIHDQMRIS-RLFYNMQTSA-N 441.529 1.411 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1507517591 QOGUJKPGXLFEEU-CABCVRRESA-N 442.586 1.603 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1conc1COC 1507644935 QBQRKURFESHPDV-UHFFFAOYSA-N 439.497 1.604 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCc2nc(C)cs2)CC1 1507723550 MGCIERLPVIVFDP-QGZVFWFLSA-N 427.578 1.772 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)CC1 1507735380 UYDPKSQTINXEEW-XMMPIXPASA-N 432.528 1.944 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507842057 BDJDLQFJPZXMTJ-UHFFFAOYSA-N 429.525 1.440 30 10 IDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1507984236 ZUNYEMQDEPNZLY-UHFFFAOYSA-N 430.534 1.079 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1)C1CC1 1507994088 WSLPQOSIBKEHPK-SFHVURJKSA-N 433.534 1.520 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1508012729 HULHOZJIAMDBMX-XUVXKRRUSA-N 443.596 1.694 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCCO)CC1 1508072084 NYSPBPGFIVUUCC-UHFFFAOYSA-N 427.509 1.217 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1508088300 RORMDHRWYHEQTP-ICSRJNTNSA-N 439.564 1.498 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1508101145 VIJWNVBYILYWMY-SFHVURJKSA-N 447.561 1.477 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508137993 UQGRBXRBDOOQTR-GOSISDBHSA-N 446.577 1.682 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1508139704 IUFJYUIDCUDQRV-AWEZNQCLSA-N 428.518 1.339 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508168817 YYDBVEPHZGKQMF-IAGOWNOFSA-N 434.566 1.419 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1510199856 QOKYSARUPJXBLE-FTRWYGJKSA-N 446.581 1.477 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CC(=O)N(C)C 1512364550 DJZVCXYYHIWKPH-MRXNPFEDSA-N 431.504 1.410 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1(C)C 1512564913 FWDASKJUUCICLH-YCRPNKLZSA-N 445.545 1.370 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCOC1 1517926453 GOAAWJWHKSRMRT-RXVVDRJESA-N 445.545 1.636 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(OC)c1 1518262395 FFGACRMGYVTHIA-CQSZACIVSA-N 448.549 1.694 30 10 IDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1527941080 BFLKLWIFSCCZDY-UHFFFAOYSA-N 425.470 1.590 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1531579162 DLHPBLDRGVKIGX-UHFFFAOYSA-N 440.493 1.264 30 10 IDEE CCCCCn1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc2c1=O 1539119794 ZWYBWHYIUXIUGN-YCRPNKLZSA-N 428.514 1.597 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539446351 WZKKJEULEPDNPN-NJYVYQBISA-N 441.624 1.743 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1539474026 HRMAUYPMHCYDOD-DEOSSOPVSA-N 445.527 1.261 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539614637 AWTREFCBNDLHJO-RDGPPVDQSA-N 448.568 1.539 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 1539633300 YAVWYSIQRODFAO-XDNAFOTISA-N 440.566 1.013 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1540034091 WEKJLWCBABVGMH-UHFFFAOYSA-N 432.525 1.949 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)COC(=O)N2 1540040030 MINJWQDPXMGKMV-UHFFFAOYSA-N 429.525 1.811 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1540072333 KQIMIPLHYQKARG-LJQANCHMSA-N 448.593 1.542 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CC(=O)Nc4ccccc43)CC2)cc1 1543120604 BFNHQYWYCJOMJA-QGZVFWFLSA-N 438.509 1.907 30 10 IDEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)OC 1545992329 HQINIDLRWBRGLX-GPMSIDNRSA-N 440.570 1.166 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1555671745 CFRANBZLIWTIPW-MRXNPFEDSA-N 431.493 1.901 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 1558112280 DUEMWYOEVTXTAJ-QZTJIDSGSA-N 440.443 1.862 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1cccc(Cl)c1 1558203087 GIGCZQLWCXGMFV-INIZCTEOSA-N 435.933 1.879 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1565076622 OGZZEHWCXCQDCE-QZTJIDSGSA-N 425.938 1.377 30 10 IDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1569227613 FDSFYGUTRKUTHD-DFYVNMARSA-N 435.521 1.826 30 10 IDEE C#CCN(CC(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1)C(=O)OC(C)(C)C 1587443245 WOOIQNVTUKBCJA-INIZCTEOSA-N 435.525 1.682 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1588128543 NYAYKJCFRTXCAS-UHFFFAOYSA-N 440.511 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588228748 LFUWYAVWYIQNRT-SFHVURJKSA-N 438.532 1.500 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)C(=O)NCC)CC1 1588913200 BQVQQFSQYWNTES-UHFFFAOYSA-N 437.548 1.468 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(CC)C2)CC1 1588954922 MKMVCYDBYCNIKL-LJQANCHMSA-N 435.576 1.572 30 10 IDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1589060711 XFCMUMRRHBRSQG-UHFFFAOYSA-N 444.605 1.573 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1589141954 PPIWFQHBVDRFKC-OAQYLSRUSA-N 447.488 1.545 30 10 IDEE C=C(Cl)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593932089 DZYHKYBVFXVGTL-FQEVSTJZSA-N 440.976 1.281 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(N2CCCC2=O)CC1 1595523035 NPJUGLZBWRLWNU-UHFFFAOYSA-N 438.532 1.847 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1618377804 LRQSMACRQYRILS-CQSZACIVSA-N 448.325 1.301 30 10 IDEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)n1 1618494234 LLHMVMNVZRRQTD-LLVKDONJSA-N 430.270 1.008 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1619982824 ICOVWMPRCKNTEQ-HOTGVXAUSA-N 425.555 1.567 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1=O 1622074362 CTWIICRRXSEFGZ-WHDAMIPWSA-N 425.454 1.997 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2=O)cc1 1628949675 HAFLEBXNJBTZOY-MRXNPFEDSA-N 442.497 1.341 30 10 IDEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)OC(C)(C)C 1632453969 IEOBWAQMQKLKLS-IBGZPJMESA-N 429.517 1.443 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 1638848071 HJBHKODEIFLTNB-UWJYYQICSA-N 435.546 1.882 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)C2=O)cc1 1639194488 RFIKHQKBSZWIJI-CYFREDJKSA-N 445.479 1.419 30 10 IDEE C=CCCn1cc(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)nn1 1644966144 HGHUUPHNLMVSSI-HNNXBMFYSA-N 433.509 1.917 30 10 IDEE CC1(C)CS(=O)(=O)CCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1645386143 GFIFKTQKLOYUSN-MRXNPFEDSA-N 448.589 1.865 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)n(-c2ccccc2)c1C 1646095292 ABNKISRNWPJPHT-VQTJNVASSA-N 442.541 1.792 30 10 IDEE C#CC1(O)CN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)C1 1646381843 ICMQVYJBWDVFAY-UHFFFAOYSA-N 431.558 1.672 30 10 IDEE C=CC[C@@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OCC 1661345313 LFBWHMWIQOCQPC-SNVBAGLBSA-N 433.284 1.287 30 10 IDEE CC(C)(C)n1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(O)nc1=O 1685217426 PVTXBKSESGKKAD-UHFFFAOYSA-N 428.468 1.746 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1689867458 SNJMUCBKKCFDKW-BOLBYERCSA-N 443.523 1.943 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1689948521 YNZZLUJPOQZXIJ-MBSDFSHPSA-N 443.523 1.871 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689993239 YUACZXZYBUTVFW-IBGZPJMESA-N 446.548 1.940 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690080499 WZJQFFHPBGZOMF-QGZVFWFLSA-N 441.561 1.258 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCOCC1 1690098443 IPWHDKXGZARLMP-UHFFFAOYSA-N 441.532 1.525 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690172397 DUNNVSAITBNBEX-KRWDZBQOSA-N 429.550 1.473 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1690345687 ASYAVIBADWGQHC-GJZGRUSLSA-N 430.958 1.707 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1690692492 ZJPHGILJOWOIHH-LJQANCHMSA-N 444.561 1.926 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@H]1C 1692764296 BYYXCFBHRGURPG-VWKPWSFCSA-N 446.577 1.947 30 10 IDEE CCCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695262131 NBWYZVDHWWGGBH-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1696440290 IDDBEAHLAWVWTA-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1696942629 MDRZUOLLDKFBRI-WOJBJXKFSA-N 438.532 1.975 30 10 IDEE C#CCCCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1705539053 IENBLPCCAYQMKG-JTSKRJEESA-N 443.552 1.918 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705540059 LZCRLYLOEGYGNU-MHTWAQMVSA-N 431.581 1.963 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1705564050 KASFQOPLBFWEEQ-XMSQKQJNSA-N 444.557 1.686 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1705567307 WBFMBZGWEDJMNA-GOSISDBHSA-N 442.589 1.760 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1705573359 FIKGRKXQXKZKQI-AWEZNQCLSA-N 436.925 1.089 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1705589246 NBHQSGVWIQMPGL-UHFFFAOYSA-N 438.923 1.818 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1705599106 VHAQSXNTJUKAMA-FXAWDEMLSA-N 426.542 1.745 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)OC)C1 1705684953 ICNLQZKDYGRDSB-LLVKDONJSA-N 438.282 1.914 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1705873922 ZOHKOHQJYDGWNA-DLBZAZTESA-N 436.516 1.910 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1711516541 ITFSRJQGAIJHPO-NVXWUHKLSA-N 428.541 1.447 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1711595301 BSZTWJDFGQXPCF-YKNSSVCLSA-N 437.504 1.872 30 10 IDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1712884643 PQYGIZHBVFWWST-HZPDHXFCSA-N 428.459 1.613 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722368335 PYYOSWBMHHFPDQ-LJQANCHMSA-N 427.530 1.789 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCC(=O)N(C)C)CC1 1722433959 JMURMIJURQUWPN-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1722459784 RAVSYWKNUVQREE-IAGOWNOFSA-N 442.607 1.177 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722509260 WWNUFPJTTDPTKB-DMUMMCEESA-N 430.553 1.515 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)nc2)CC1 1722560019 OIHFTPGEWUMYMT-AWEZNQCLSA-N 433.538 1.446 30 10 IDEE CC(C)=CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1723049488 SKSJIFFVDPFQHP-SJORKVTESA-N 435.536 1.962 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1727643880 BTPWJDGZUGJUBY-LAUBAEHRSA-N 428.493 1.546 30 10 IDEE CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1728602213 GPDNEVUATARXMA-QGZVFWFLSA-N 438.580 1.962 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1729188603 UQACXYQXINXIDK-OHTQGHCMSA-N 438.554 1.187 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)O 1729568029 ZYHBWWNKCLXPFM-OAHLLOKOSA-N 448.369 1.994 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730631521 IDQURAQOQQXODL-JOCHJYFZSA-N 425.537 1.926 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740598635 YDGMYEDSSCLITO-NHCUHLMSSA-N 430.597 1.774 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1OC 1740602614 POYISGYUOSYPLI-HKUYNNGSSA-N 447.561 1.316 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1740640810 XAYFLCIUQFWNOH-LJQANCHMSA-N 442.564 1.755 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCN(C3CC3)C2)CC1 1740690433 USOPIVXQMCTDRS-GOSISDBHSA-N 427.597 1.436 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCCC)CC1 1740802264 JYRCPLSHWHGZQL-AWEZNQCLSA-N 447.005 1.774 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC=C)Cc1ccccc1F 1740960165 MEVKSZGXXNUJGZ-QGZVFWFLSA-N 447.536 1.814 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740962163 UXSBCZIKJZSRAL-QGZVFWFLSA-N 441.536 1.670 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC2(C)C)C1 1740981909 RDIYXKXLSLXPHL-BBWFWOEESA-N 439.582 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1740991965 JIVJCOVPQXCOGW-INIZCTEOSA-N 441.554 1.051 30 10 IDEE CC(=O)NCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1741101592 MTIUHGSKCFZAQY-INIZCTEOSA-N 446.533 1.046 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)C1 1746536131 ATZOOLLQSWPFTN-GOSISDBHSA-N 444.561 1.640 30 10 IDEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1747142763 FUUQVPNWGSONLW-GCJKJVERSA-N 431.585 1.887 30 10 IDEE CCOCc1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1747254179 SKOTUKCTVWBPEY-UAFUQJIBSA-N 444.536 1.594 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748714397 IBQQNEWGKMNGEY-TYPHKJRUSA-N 428.581 1.574 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748805900 YBELHEOJVNAPRH-ZWKOTPCHSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748817055 DAKNBVRFPJFJQZ-QYZOEREBSA-N 436.578 1.758 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCOCC1 1749118315 FJJDEDSZNHVOGM-JQHSSLGASA-N 441.598 1.732 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749209104 NJKZSUIUAICVRY-HKUYNNGSSA-N 426.521 1.936 30 10 IDEE C=CCCOCCn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749445197 JSMDJFGFMLSVPM-UHFFFAOYSA-N 426.568 1.455 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749457595 SNUZGKDCXPVEJB-CEXWTWQISA-N 432.569 1.369 30 10 IDEE COC[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749522666 FNVZQGXAQWECKR-NRASPWIFSA-N 430.509 1.519 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1749575663 VXDRTDBROZJYPY-GOSISDBHSA-N 449.581 1.188 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1nnn(C)n1 1749592280 FVBJJXCIMRNCCE-UHFFFAOYSA-N 433.314 1.918 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)NC)CC1 1749679821 BNMUNJIVILKBBA-UHFFFAOYSA-N 440.548 1.739 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749683186 LKHDFTYGYBHURP-OWCLPIDISA-N 434.541 1.781 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([S@@](C)=O)CC1 1749827446 CTBFVFRSBYHXNX-SSEXGKCCSA-N 431.518 1.951 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1752280330 WWXGCFFVNQNZJY-IWKHNONTSA-N 441.536 1.204 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760155304 VDPAEZICUCUVNI-IAGOWNOFSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760185097 PMSZDBGASOJKBX-VQIMIIECSA-N 427.530 1.726 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1760188660 PZZUVQZASNBYOS-JYSRZZCRSA-N 449.577 1.061 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760191134 BGLHRXRFVKYFIF-RBUKOAKNSA-N 434.537 1.675 30 10 IDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760207118 YCMPJMBOKRQPRI-OAQYLSRUSA-N 439.585 1.950 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCS(=O)(=O)CC1 1760329016 MYPGAONQGZJFCV-UHFFFAOYSA-N 441.598 1.539 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCS2)CC1 1760402531 MJONCVAIIUNNDK-IRXDYDNUSA-N 441.623 1.909 30 10 IDEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760471975 PTYCFPQECFEGBX-UHFFFAOYSA-N 427.530 1.911 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCOC1 1760517368 KTMQBEUBWGUBSK-INIZCTEOSA-N 447.561 1.514 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760525895 VRTDGRFINAPIOX-LJQANCHMSA-N 437.548 1.309 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C1 1760538947 WYXRKZFMKZPSJZ-APWZRJJASA-N 428.555 1.145 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCOC2)C1 1760793205 UPCOEISQZZMVTD-HYFFOGBASA-N 446.552 1.940 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1767278221 CXULUTGFXCPSID-OPAMFIHVSA-N 440.504 1.635 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1767384509 AOSYKODFECDOQI-YCRPNKLZSA-N 427.509 1.928 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)C1 1769197203 ZBACWYKGKCKVAU-KRWDZBQOSA-N 435.488 1.962 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1770050187 IRLVLMINERUAIH-OAGGEKHMSA-N 438.529 1.644 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)F)C1 1770730680 CNRGEFZHIZQSGO-GOSISDBHSA-N 426.374 1.819 30 10 IDEE N#CC1CCN(C2CCN(C(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)CC2)CC1 1849607494 OVFNFGHYWMKETE-SFHVURJKSA-N 445.589 1.572 30 10 IDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1851774591 RGYKLWMIAPENBW-QWHCGFSZSA-N 425.942 1.825 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2cccnc2)c(C)c1 1853557997 UYZWUBQHTADKCG-UHFFFAOYSA-N 432.502 1.214 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(Cc4ncon4)C3)CC2=O)c1 1854105035 VLXDAEJRFKGSHB-HNNXBMFYSA-N 428.880 1.348 30 10 IDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)CC1 1855838965 ZBUIYHPHHUDWCP-AWEZNQCLSA-N 425.457 1.907 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc4ccccc4n3)C2)CC1 1857018915 MBEDMPWGRRVOFI-KRWDZBQOSA-N 426.498 1.789 30 10 IDEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794584 DVWIUPYGMPSWKK-ROUUACIJSA-N 445.589 1.643 30 10 IDEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870523812 GCFRQRJNFVNDNU-QGZVFWFLSA-N 434.537 1.602 30 10 IDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644978 JIKJNURMDWUBBD-UHFFFAOYSA-N 426.481 1.402 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900454625 MSABPBCZJKVCCX-NSHDSACASA-N 427.332 1.058 30 10 IDEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)c(Br)c1=O 2122546728 BIJOZRBQKGLQTN-STQMWFEESA-N 427.299 1.685 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2216953812 GTLHXHMICGPTHX-AWEZNQCLSA-N 425.335 1.840 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243386453 ANUXESXNNSIHBL-UHFFFAOYSA-N 440.309 1.707 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2255796953 ASMGHFNEBUOIKB-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255853022 KZNZNBZUAPUTIN-YPMHNXCESA-N 429.248 1.986 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 2267115792 LNSZEOAVMHHUAS-KGLIPLIRSA-N 447.345 1.196 30 10 IDEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267146036 KJAPJJKYUSHDFD-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE Cc1ccnc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267159042 NXDKMRDQZRAZJN-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267197737 OAFYLSVPPGSNGB-GASCZTMLSA-N 446.357 1.658 30 10 IDEE CCC1(C#N)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286019756 GILYPOGYQRHFSP-KRWDZBQOSA-N 437.518 1.800 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)n1C 2315522001 FVPGLWHIDSSORG-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2318494513 QZXGAKZGEKGBCH-KCQAQPDRSA-N 432.330 1.837 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(Br)cc1 2330769962 KBHZMRCRDJQBGX-UHFFFAOYSA-N 426.296 1.824 30 10 IDEE Cn1c(=O)[nH]c(=O)c2c1nc(NN=Cc1ccccc1)n2C[C@@H](O)COc1ccccc1 5295541 HUTGGWJWEYKGDN-MRXNPFEDSA-N 434.456 1.309 30 10 IDEE CCCCCCCC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC[C@@H]1CCCO1 100170771 KAXQTJFSAHWZGU-JKSUJKDBSA-N 427.567 1.661 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCC(=O)N(CCC#N)c1ccccc1 439919891 FTBOYQZGKXWOEX-DGQTTZFYSA-N 441.484 1.665 30 10 IDEE N#CCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 477427699 VAOJSISPSNVABD-UHFFFAOYSA-N 434.495 1.897 30 10 IDEE C=CCOC[C@@H](NC(=O)c1n[nH]c2ccc(I)cc12)C(=O)OC 481769901 RDXSPFFGQAMFHR-GFCCVEGCSA-N 429.214 1.642 30 10 IDEE Cc1ccncc1CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 483024037 LLFLWHPQRSKLLW-UHFFFAOYSA-N 427.530 1.227 30 10 IDEE Cc1ncc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CCN(C)CC2)cc1C#N 489105911 MHRNHGMUJLNMNX-OAQYLSRUSA-N 439.541 1.546 30 10 IDEE COc1ccc(C[C@H](C)NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1OC 491235068 IZISYGULBCQLQB-HNNXBMFYSA-N 448.483 1.901 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@]2(CCOC2)C1 508477764 NGUVEADYQCCAMY-OAQYLSRUSA-N 447.561 1.589 30 10 IDEE COc1ccnc(N2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 508674037 ZAVZVXXSAJOBGD-SFHVURJKSA-N 435.488 1.384 30 10 IDEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 508880048 JPVOWWSEVYBSJL-ROUUACIJSA-N 440.614 1.529 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@H]1CCCO1 553464812 MAJGYGISWXSHPS-MRXNPFEDSA-N 429.517 1.566 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H]2CCCO2)n1 555384818 TVESYGJNKGOOHV-FQEVSTJZSA-N 447.547 1.912 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 558090727 OFLCULFWFOTCQG-UHFFFAOYSA-N 449.554 1.836 30 10 IDEE COc1cc(CNS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)ccc1C#N 565803987 YOIMJGNCXJPDFL-UHFFFAOYSA-N 430.408 1.676 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 669806583 XCIYOSKJGUXXTR-DLBZAZTESA-N 425.555 1.050 30 10 IDEE C=CCOCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 679492666 QKYRANNKHGFOLB-UHFFFAOYSA-N 434.562 1.999 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 679755115 KEFCPUKSLYHUCQ-UHFFFAOYSA-N 437.565 1.504 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 732070840 HYAOMMNWISNLGC-UHFFFAOYSA-N 428.514 1.388 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795523 LFEWOLWFGXCHLS-QGZVFWFLSA-N 443.573 1.286 30 10 IDEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 734151871 JJEIXHGKVKYSOY-UHFFFAOYSA-N 434.539 1.962 30 10 IDEE C#CCN(CC#CC)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 742003326 HVJCKHDRXXYLLF-UHFFFAOYSA-N 425.304 1.288 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cccc(OCC)c3)c2=O)cn1 743730430 XNYZVSLNYURWDQ-UHFFFAOYSA-N 437.525 1.153 30 10 IDEE C[C@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 752177569 BTKYCOYYYNKPQN-AWEZNQCLSA-N 435.527 1.558 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br 767988395 FDMNUMYUJNNZRH-HMNTXPNISA-N 447.289 1.365 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C)[C@@H]1CCS(=O)(=O)C1 774043352 MGUWTNDEZIQCBU-OAHLLOKOSA-N 425.532 1.090 30 10 IDEE CC(C)(C#N)CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 776138332 HWFYYRCPPLYFRC-UHFFFAOYSA-N 447.966 1.736 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 780856350 PTBRAWQCMJRBNP-INIZCTEOSA-N 425.919 1.840 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)Cc2cnn(C)c2)n(-c2cccc(F)c2)c1C 786858050 NQCXAPJDKMAVAY-IBGZPJMESA-N 439.447 1.924 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)n1 790104636 HPPZAHVZKQVLAH-SSEXGKCCSA-N 431.514 1.460 30 10 IDEE C=CC[C@]1(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790647594 FUJRYSSHLPVPLF-AUSIDOKSSA-N 436.597 1.855 30 10 IDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 796094631 DGVBZDVOCGMESA-ZHRRBRCNSA-N 441.509 1.663 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)C[C@@H]1N1CCOCC1 802454558 XRYWPJHBCCFABE-FPOVZHCZSA-N 440.548 1.922 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 803699685 MNLMMKSAHFTHAX-UHFFFAOYSA-N 442.537 1.956 30 10 IDEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cnn(C)n2)C1=O 807930523 JXHWOEHQWUXAOX-QGZVFWFLSA-N 429.550 1.405 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812425743 SEYAPKPDUXXSOU-WBVHZDCISA-N 444.513 1.337 30 10 IDEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 815412326 YTVHSSJOFYMFPT-UHFFFAOYSA-N 425.894 1.410 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3noc4ccccc34)cc2C1=O 916821291 GOXPGJLDAMEITJ-UHFFFAOYSA-N 425.422 1.870 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1131841872 BDPAQFIDNQNEDO-MOPGFXCFSA-N 431.537 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)CC1 1137536847 APMRAVLIXKZJEY-IAGOWNOFSA-N 427.567 1.471 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 1159348911 FCFBUCICBZRASH-UHFFFAOYSA-N 433.530 1.681 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)s1 1162326495 FAJXMIKKTJFFGU-BPLDGKMQSA-N 427.548 1.490 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)CC1 1171843237 DBTBFMLITAPDJM-UHFFFAOYSA-N 428.489 1.796 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)nc1 1195779510 ZETNQGBEYGXUKC-LEWJYISDSA-N 426.542 1.702 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(OC)c3)CCCC2)CC1 1221889056 SVGOUMBNHLAYGV-UHFFFAOYSA-N 434.562 1.302 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CSCN2C(=O)OCC)c1 1264809706 RDKGFZAVCFPXER-SFHVURJKSA-N 431.514 1.391 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1nccn1C 1265033127 ZOEOOTBHKOYILQ-SFTDATJTSA-N 437.500 1.650 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)NCC2CC2)c1 1286309891 OQLNNHSZQOXLTF-UHFFFAOYSA-N 443.511 1.923 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1286420135 MFJDDAAXADYPRM-INIZCTEOSA-N 446.552 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1286428041 AIACBWHTYJDLJU-QFIPXVFZSA-N 446.555 1.573 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1286458582 YWKLNAMVROZXSG-PKOBYXMFSA-N 448.520 1.375 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOCC2CCOCC2)CC1 1286470035 QWSXQVBREWVMJM-UHFFFAOYSA-N 432.569 1.005 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@]2(O)CCOC2)CC1 1286474631 OAKGCTNENZCHPF-HSZRJFAPSA-N 441.532 1.259 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(O)c2)CC1 1286494847 UHBSXLOORCOYHV-UHFFFAOYSA-N 436.516 1.120 30 10 IDEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286500502 VJUPMZBNBKVQKR-MRXNPFEDSA-N 444.948 1.112 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286778785 JBIZQZSGAXGGOP-HNNXBMFYSA-N 445.549 1.159 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1286788276 TUUNDAILZCUGRQ-MRXNPFEDSA-N 445.545 1.054 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286792082 LTOBDESCORUQSI-KRWDZBQOSA-N 439.520 1.024 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC(N)=O 1286797308 VHZULYLHPDUGPV-INIZCTEOSA-N 426.521 1.827 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cs1 1290421619 NRLNUYZYPFEZCF-MRXNPFEDSA-N 432.531 1.770 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1295164890 GYNFMGBMBPZJBK-CEXWTWQISA-N 445.545 1.370 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCn2cncn2)c1 1300334258 JKRSVDDERVZRMX-GOSISDBHSA-N 434.504 1.520 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1300412377 XFNBJLHWKTYYJW-DLBZAZTESA-N 446.552 1.667 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1300465357 LYGPMLKRZQMWIH-OAHLLOKOSA-N 441.554 1.091 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300489157 JRAKKOYBQHNHNS-QGZVFWFLSA-N 448.545 1.626 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1300497399 AZLSKPJFNGMKCX-QGZVFWFLSA-N 442.570 1.704 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300506164 NRWOBPWDQMSPQA-JMLKKNOCSA-N 442.607 1.304 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1300559633 VVCKEZLTZRJHKZ-XMMPIXPASA-N 435.528 1.929 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC[C@H]1C 1300665451 LOTUIMQHIMOPFE-QGZVFWFLSA-N 427.505 1.481 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1300789374 JSDJUHXTAICLMZ-OAQYLSRUSA-N 444.557 1.882 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1300870833 ANJLQTURNXIEQP-IEBWSBKVSA-N 432.569 1.702 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301197463 UIERSWRVYZMALL-DLBZAZTESA-N 437.570 1.265 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1301474700 GFJYMNOIJYLPJP-PMERELPUSA-N 432.550 1.092 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1301589112 NTHSFDFQAJNYNE-UHFFFAOYSA-N 425.599 1.916 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(c2ncc(I)cn2)CC1 1302137299 LSQBFYQZFKLBPW-UHFFFAOYSA-N 430.246 1.239 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCC(C)CC1 1302311507 LTPMYYCVNDPNEE-MUGJNUQGSA-N 432.569 1.851 30 10 IDEE CC(C)Cc1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302870545 QBDHIAHASVDRFA-LKVPFJPGSA-N 444.536 1.387 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)CCO1 1303004197 ODLDKHPKNYYINF-CYBMUJFWSA-N 444.297 1.513 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1303686307 PJFZOBPGHQXACG-HOTGVXAUSA-N 425.526 1.764 30 10 IDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)n(C)n1 1304725576 FLVRAPCWZPLHAP-HNNXBMFYSA-N 442.549 1.487 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)NC)CC2)cc1 1310196112 LFFPUBGXKOSDJM-UHFFFAOYSA-N 435.550 1.551 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1316186691 BGXLCCCGSRQOOI-CRAIPNDOSA-N 425.555 1.709 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCOCC1 1316188100 YTFKJAXMZORGQT-HNNXBMFYSA-N 442.520 1.964 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 1318286179 HUNWDEXTKLGXFF-NRFANRHFSA-N 442.497 1.136 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1320322220 SVXZVMRBHMTGHW-OAHLLOKOSA-N 429.489 1.075 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCOC1 1359022788 MRVGBAVTAILXJG-KRWDZBQOSA-N 446.577 1.751 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359048320 MHSHFUOVEXAELH-KRWDZBQOSA-N 435.594 1.805 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)C1 1359296066 VXYHHDMJIVNEJG-UHFFFAOYSA-N 437.273 1.085 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359301918 PRRKMMSVQQWVGR-INIZCTEOSA-N 435.525 1.324 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1359306399 FIQBVAMXVLQDLI-FRQCXROJSA-N 430.553 1.310 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC[C@@H]2C)C1 1359313474 MRMJEXARKLQOQT-JQVVWYNYSA-N 435.569 1.432 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCCO1 1359326793 JXLMODIFZXCEOF-MRXNPFEDSA-N 448.549 1.532 30 10 IDEE N#C[C@@]12CN(C(=O)c3cccnc3-n3cc(Br)cn3)C[C@H]1CS(=O)(=O)C2 1439609499 BLJGLBXUHBDBOG-ZBEGNZNMSA-N 436.291 1.040 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCCn2cnc3c(N)ncnc32)c1 1451743265 PJYYOEJFTXQILB-UHFFFAOYSA-N 426.502 1.368 30 10 IDEE Cn1cnnc1[C@@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1453826026 KMHLGPBJUSAJSM-SJORKVTESA-N 426.477 1.371 30 10 IDEE N#C[C@]12CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1460884427 UJPMBGMEWMGMTF-FUHWJXTLSA-N 425.432 1.043 30 10 IDEE COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1461438390 CYPXGYYDQQXDBO-MRXNPFEDSA-N 441.509 1.748 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(OC)CCOCC1 1464533491 SCXCBQLHRCQNFW-UHFFFAOYSA-N 430.567 1.847 30 10 IDEE CCN(CC)C(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1470982755 BJCKRHSWJOIJJH-UHFFFAOYSA-N 426.565 1.723 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C1 1478404671 UAYWEYBTIRECAP-MNOVXSKESA-N 428.433 1.022 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1479364794 LRIFTNGDXVUEDM-AWEZNQCLSA-N 425.367 1.258 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507521566 OEHIFJVPMOFCHY-QGZVFWFLSA-N 440.548 1.584 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1507533362 KCNJEHADRUZQCA-JQHSSLGASA-N 426.521 1.662 30 10 IDEE C=CCCOCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1507966581 UIJNTKDEGMGXQO-QHCPKHFHSA-N 447.580 1.972 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508080824 DWMSERKYNMVFIM-KRWDZBQOSA-N 439.476 1.525 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1516974094 ANKKVBSBELIGBJ-QHCPKHFHSA-N 437.548 1.188 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)CC1 1517614556 DYBKOWBXXNBRNE-UHFFFAOYSA-N 427.509 1.615 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCOC1 1517926457 GOAAWJWHKSRMRT-WIYYLYMNSA-N 445.545 1.636 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccn(CCn3cccn3)n2)c1 1518828224 ZSCRZTLSYMRYIM-UHFFFAOYSA-N 432.484 1.267 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cnn1CCC#N 1529500132 NIFTUNYCRQYYFK-UHFFFAOYSA-N 445.530 1.257 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](CC#N)C(F)(F)F)(S(C)(=O)=O)CC1 1535463907 AFCJGMUDWSFQJS-LLVKDONJSA-N 427.445 1.761 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCO2)cc1 1536667201 RWIWVQKZOVSAIS-OAQYLSRUSA-N 441.509 1.793 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1539115422 AZWCXPFGRXNAQX-UHFFFAOYSA-N 429.550 1.320 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1539237279 BVPOIGIYBJDGGW-NFBKMPQASA-N 429.565 1.504 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1539284922 UXQFIKKFOBXTHN-LRZVDXDASA-N 427.549 1.472 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539742901 NVCOJZOZBNWXEC-KRWDZBQOSA-N 427.509 1.633 30 10 IDEE COc1cc(N)c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O 1540472451 NZVDYCKEOWCQEA-SFHVURJKSA-N 446.504 1.843 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2ccc(C)c(F)c2)s1 1540713524 UTUDKOJEJDQDHK-UHFFFAOYSA-N 439.534 1.749 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540865493 ISTSVLXRODSFCG-INIZCTEOSA-N 448.549 1.153 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1540876688 YFZXLAYUIQXYNP-LJQANCHMSA-N 425.533 1.902 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1541698631 RCRRQOQXOWIGNR-YLJYHZDGSA-N 437.548 1.498 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CC(=O)N(C)C)n1 1542628348 FQUACMOXVYAPKZ-UHFFFAOYSA-N 430.516 1.935 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1554869202 RJJXTBUWNYJCLQ-YCRPNKLZSA-N 426.477 1.169 30 10 IDEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1555296364 FHVCCSQZFKUYON-BEFAXECRSA-N 442.561 1.927 30 10 IDEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555497103 SNDGZBKZYLTRFA-MOPGFXCFSA-N 445.545 1.666 30 10 IDEE N#CCCN(CC1CC1)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1555995151 BKOMKEZFOAESSF-NRFANRHFSA-N 447.536 1.688 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OCC)nn3)CC2)c1 1557622482 XBBXSTOIEMVTCT-UHFFFAOYSA-N 428.514 1.635 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@H](C1)[C@@H]2C(=O)OCC 1558368194 DRBVXZGUXUJNCZ-NOCIGQNYSA-N 447.557 1.942 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(CC)(CC)N[C@@H](C)c2ccccc2)CC1 1564058790 UYBQDZSVSDAVLH-IBGZPJMESA-N 449.621 1.691 30 10 IDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 1565213554 TYASGBZPBFUSLF-UHFFFAOYSA-N 443.485 1.991 30 10 IDEE CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1585381349 MSXWXQHERVPQMX-GOSISDBHSA-N 437.585 1.976 30 10 IDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(N2CCNC2=O)cc1 1585747770 ZDKTVWJRFWSETI-OAHLLOKOSA-N 441.513 1.899 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1587599530 PHCDFUDXURWGCT-HZPDHXFCSA-N 447.561 1.844 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1=O 1587956129 LCQQPVJIDOWSBN-QHCPKHFHSA-N 435.459 1.813 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(-n3cncn3)nc2)CC1 1588884679 JXHKXDXXHZZVDC-QGZVFWFLSA-N 447.547 1.781 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOC(C)C)CC1 1588890878 HLIHHUCNDHTKSO-QFIPXVFZSA-N 433.553 1.321 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)NC)C1 1589305532 RVPJHUHOQQXEAZ-ZIAGYGMSSA-N 430.347 1.873 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1594962802 NLRQVRLDAJDORP-HNNXBMFYSA-N 438.579 1.615 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2csc(C)n2)C1 1595673889 KZXMDCBTYBLAQN-XJKSGUPXSA-N 440.595 1.677 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1595721297 DDFGHVWFSJQAOP-VAMGGRTRSA-N 446.596 1.506 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1595784613 JTYMTNIJHUJOKW-UHFFFAOYSA-N 448.471 1.173 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595838763 ZXRVULLAFDMMDT-OAHLLOKOSA-N 442.549 1.401 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1609975811 UPTZXBZWHNZRKY-MXLIYFDZSA-N 445.524 1.007 30 10 IDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)N(C)[C@@H]1C 1614995128 ZKKOPMSGSACQMX-FYFJHLKLSA-N 439.559 1.965 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1ccn(CCC#N)n1 1618206374 XSNSVGJUISCMIX-RRFJBIMHSA-N 437.522 1.405 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(Br)ccc(C)c3[nH]2)CC1 1632965588 CARQIMVCJGJDEN-UHFFFAOYSA-N 439.335 1.464 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)C3CCCCC3)CC2)cn1 1633929440 FRSDAKQRLYFXGZ-NRFANRHFSA-N 435.532 1.633 30 10 IDEE C=CCOC[C@H](NC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1634058651 KASXTKSEZBLBGB-INIZCTEOSA-N 436.509 1.470 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1638851618 ZAKZBNUEZRVWME-UHFFFAOYSA-N 428.514 1.932 30 10 IDEE Cn1c(=O)[nH]c(N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)c(C#N)c1=O 1639998002 KDVXRYWZAXFFFU-UHFFFAOYSA-N 428.924 1.390 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c1 1640180420 GSUUFQYOQPHBTL-UHFFFAOYSA-N 435.523 1.180 30 10 IDEE Cn1cncc1[C@@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1642428009 VJQYGNAUEOAJNC-MJGOQNOKSA-N 425.489 1.976 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCN(c3ccsc3C#N)CC2)CCC1 1643812021 ZMZLHTAGRQHBDV-QGZVFWFLSA-N 426.608 1.743 30 10 IDEE C#CCN1CCC(NC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1645781904 UNHZBIZRNJVOHZ-UHFFFAOYSA-N 428.558 1.628 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 1653862041 ALAFXRSFYARDBF-SFHVURJKSA-N 432.477 1.461 30 10 IDEE C#CC1(O)CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1666933439 MITGYOSPGNIZIX-UHFFFAOYSA-N 427.910 1.353 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1nn(C)cc1I 1682497073 LNBMLBWRWJEIJO-UHFFFAOYSA-N 432.262 1.511 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)O1 1686056020 QBLLOLWOWIOYFT-KFGODFMUSA-N 438.525 1.350 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(CC(C)C)C1 1690019582 MNNQKZOVICFVFA-PMACEKPBSA-N 431.606 1.621 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1690077775 WLAFDYXZVRHPHB-MRXNPFEDSA-N 448.545 1.714 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(CCS(C)(=O)=O)C1CC1 1690666738 FGYQQLXTWCKDNM-UHFFFAOYSA-N 437.953 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCNC(=O)C1 1690718009 YCGYRPBMJODPME-AWEZNQCLSA-N 449.602 1.668 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1690731568 MGPQQRKVWDINOK-KRWDZBQOSA-N 443.573 1.661 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695499133 HNCNQOJJAJWJLQ-UHFFFAOYSA-N 447.499 1.967 30 10 IDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](COC)C2)c1=O 1695790397 FGNFJZZSSKNBQT-FQEVSTJZSA-N 434.500 1.898 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1696913001 BWRPBROJWFNDFN-JTDSTZFVSA-N 426.521 1.972 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705587751 HSXNZXWYGNYCDA-CGXNFDGLSA-N 443.592 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)OC 1705591436 PZQCUIGASNVLON-QGZVFWFLSA-N 429.546 1.693 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1705630780 GQBUHYCGZLNABH-INIZCTEOSA-N 434.541 1.572 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCCOC)CC1 1705638633 RBRGXPMAWANIHV-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)CCC(C)C)CC1 1705649293 SBYYPJIERVELNS-QHCPKHFHSA-N 441.580 1.832 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccs2)C1 1705916093 YTTGYRWSYQSFAB-MRXNPFEDSA-N 444.561 1.787 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1706516357 BJPJFVIPZUIUEN-NHCUHLMSSA-N 435.532 1.902 30 10 IDEE CC(C)SCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1706714836 BAXZLKIBUIEVBH-RHSMWYFYSA-N 446.574 1.195 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCCN(C(C)=O)C1 1709141652 ADGHARDEYUCLLP-SJLPKXTDSA-N 437.552 1.476 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1709823861 UNHJDMKGPBTRPM-LJQANCHMSA-N 435.532 1.838 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C#N)CC1 1712710411 FOTKBKWNRYWBRI-UHFFFAOYSA-N 432.506 1.353 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722339290 SFAPJMMWQVCGSV-UHFFFAOYSA-N 436.582 1.064 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCOCC1 1722386821 MHURCZQRUZKBTK-UHFFFAOYSA-N 427.530 1.274 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCOCC2(C)C)CC1 1722438896 GMHAYZGDKXSQRU-UHFFFAOYSA-N 440.567 1.874 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CSCCS2)CC1 1722447690 LZFIZFUFWGHZOQ-JKSUJKDBSA-N 448.618 1.044 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722462710 RCXHJZFDTWEMMN-SFHVURJKSA-N 434.587 1.889 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1728259844 GDCBTTYCCUICNU-KRWDZBQOSA-N 436.476 1.564 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1729717832 IDONQSYPTBHAKZ-UHFFFAOYSA-N 433.472 1.508 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1Cc1ccc(C#N)o1 1730875206 MTYBVKQEIZDOEU-GJZGRUSLSA-N 429.481 1.071 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1730922397 GIWGXXSGOGOFCR-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cncn1 1740560346 GZLHNEWAFZYHJY-FQEVSTJZSA-N 433.564 1.392 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740596165 VJEARLKVGGMTRI-INIZCTEOSA-N 435.525 1.928 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740628670 SHUHBWWXBXENDW-XUVXKRRUSA-N 449.621 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2cn[nH]c2)CC1 1740703783 DYVAROPNSYHRER-UHFFFAOYSA-N 433.516 1.885 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723344 PLYJLYCZYMCQAH-SVMVAKDDSA-N 447.605 1.742 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCOCC1 1740724185 ZCQKSTZOBJRATO-WMZHIEFXSA-N 428.581 1.863 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1740735223 XFJDGVXBAFSVPF-HXUWFJFHSA-N 428.518 1.270 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740954888 IIQHXBLUCCRCKT-WBVHZDCISA-N 426.477 1.191 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC)CC1 1740961142 NAWMAQRYLDZTEO-UHFFFAOYSA-N 430.484 1.589 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741193551 UKTGFGKVHREKRL-HMWBCQRISA-N 429.525 1.095 30 10 IDEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1743878665 DPBOUWKOXYXRJZ-OXQOHEQNSA-N 448.531 1.984 30 10 IDEE CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1744875633 SVMAUSLVPAZMJO-IIDMSEBBSA-N 448.549 1.749 30 10 IDEE CO[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C(F)(F)F 1748402750 JCOROHRFYUPOGP-AAEUAGOBSA-N 438.476 1.596 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)CCCO2)c1 1748693010 VFFONPFAKKGKPQ-WZONZLPQSA-N 436.516 1.855 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1748731975 PISSLLVUMQWDRB-RHSMWYFYSA-N 434.570 1.352 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1748858040 KMVSYGMETTXRRG-SFHVURJKSA-N 447.536 1.058 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1748895252 SOMXJZWSCUUIMC-UHFFFAOYSA-N 441.482 1.859 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748962882 SYQOCSDFXUUNMB-QZTJIDSGSA-N 440.552 1.369 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749457610 SPLKSBVYVJMKAY-SFHVURJKSA-N 445.593 1.909 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749651389 UUTWELVIZHNDDI-INIZCTEOSA-N 426.521 1.762 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNC(=O)C(C)C 1749660557 UEENTDPFJJESHS-UHFFFAOYSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749680176 FZERNWGNGOFVKP-QGZVFWFLSA-N 427.505 1.857 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C 1749730480 FYDWJVPDALXLID-OAHLLOKOSA-N 442.545 1.782 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1nncn1C 1749736112 DLWQCTRSICDCBY-KRWDZBQOSA-N 442.549 1.335 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1750075069 BBOMKFNUZRAPBN-CRAIPNDOSA-N 448.549 1.155 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1751036715 CFYYQWLABQRRRV-XXBNENTESA-N 438.532 1.925 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(S(C)(=O)=O)CCCC1 1751927813 BVPXGBRRMFELNS-UHFFFAOYSA-N 429.550 1.537 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1760180453 FRLGHJHGAALWFI-PKOBYXMFSA-N 427.530 1.266 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCSC1 1760223275 BVVLLGFZTNBKPN-FQEVSTJZSA-N 429.571 1.601 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC=CCO2)n1 1760252171 KBVHTJAEQRFSBK-FPOVZHCZSA-N 440.548 2.000 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1760259285 JYGGPMWQZPKOLS-NRFANRHFSA-N 438.576 1.526 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cncn2)CC1 1760313369 MYPCNHBNYSFKMF-RTBURBONSA-N 442.568 1.906 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C 1760336996 LITFOHYPFIAIPK-SJORKVTESA-N 429.587 1.684 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1760400953 USZTWWLNNUWOMY-HOTGVXAUSA-N 442.486 1.895 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760440310 HBZITZWUXXJSPV-MSOLQXFVSA-N 435.594 1.889 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccc(F)cc2C1 1760557157 BNHPBWXEINELRW-UHFFFAOYSA-N 447.536 1.703 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(O)CC1 1761234663 XQUXUEPOLIPBJM-UHFFFAOYSA-N 427.484 1.279 30 10 IDEE CN(c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1766972008 PWSGXKOVTWPYEV-DXQAYGFFSA-N 448.549 1.085 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@H]1CCOC1 1767864362 RACFTVMMTOZADB-MRXNPFEDSA-N 442.520 1.793 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1768462457 BQRBGBVXORFLTN-HXUWFJFHSA-N 437.548 1.802 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1768986180 XXUSRHVMIRATEJ-UHFFFAOYSA-N 442.501 1.207 30 10 IDEE Cn1cccc1-c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCCO 1769043202 DOSSDQKIJYRBSP-UHFFFAOYSA-N 449.559 1.876 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(CC4CC4)n3CC(=O)NCC(F)(F)F)CC2)nc1 1770738070 DKNVNYMJRFDQTL-UHFFFAOYSA-N 448.453 1.502 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1 1771112108 GKLKEUACMNKXTL-QGZVFWFLSA-N 435.525 1.928 30 10 IDEE C=CCN1C[C@H](C(=O)OCCn2ncc3c(=O)n(Cc4cc(C)ccc4C)cnc32)CC1=O 1848723364 SBEKYXHYGHKYDM-LJQANCHMSA-N 449.511 1.836 30 10 IDEE NS(=O)(=O)N1CCC[C@@H](C(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)C1 1852063955 WVCVDWQCWNASRU-SNVBAGLBSA-N 425.816 1.564 30 10 IDEE COCCN1CCN(Cc2ccc(C(=O)Nc3ccnc4c(C#N)c(C)nn34)cc2)CC1 1852795302 WKQZKMHGCBIHFT-UHFFFAOYSA-N 433.516 1.926 30 10 IDEE CC[N+]1(C)CCC(N(CCS(=O)(=O)N(C)C)C(O)=C2N=C(C)C(C(C)=O)=C2C)CC1 1853477669 DQHOIMFFKONDCB-UHFFFAOYSA-O 441.618 1.916 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@H](C)NCCn3nnc4ccccc4c3=O)C2)CC1 1853572698 OEKIHNHTFPJJMI-IRXDYDNUSA-N 431.562 1.530 30 10 IDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871643967 JXQVCMXSQWMGSK-UHFFFAOYSA-N 448.491 1.390 30 10 IDEE COC(=O)c1cc(C(=O)OC)cc(N2CC(=O)C(c3nc(C)c(C(C)=O)s3)=C2N)c1 2084270747 KMPNIXNJUSYKQX-UHFFFAOYSA-N 429.454 1.944 30 10 IDEE N#C[C@@H]1CCN(S(=O)(=O)NC2CC3(C2)[C@H](NC(=O)OCc2ccccc2)C3(F)F)C1 2207115635 AFEJFVWOCMNROQ-VUGNNNGISA-N 440.472 1.759 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO 2223124566 PCGKSECETNEZAA-ZOBORPQBSA-N 439.372 1.678 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCOCc1ccccc1 2247881167 SPRCDZIBDWSZSR-UHFFFAOYSA-N 435.355 1.605 30 10 IDEE COCC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2255630109 FYRHGTLMXBHARF-ZDUSSCGKSA-N 438.334 1.369 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255648318 BKOJLADFNXSCTA-CQSZACIVSA-N 434.346 1.801 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2255654312 VLQGEBXUQJBFRH-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699067 UVLVVQMDZQNXIV-LSDHHAIUSA-N 432.330 1.951 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2267189142 WFOVGGNMGUPUTH-OALUTQOASA-N 436.365 1.923 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CCC1 2267269564 FYZCKEBAZUIBKW-UHFFFAOYSA-N 449.361 1.587 30 10 IDEE COCC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267272579 AOLLBYOBFFKGLK-UHFFFAOYSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2267602076 GPEUJSSMLVTYPO-VNQPRFMTSA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268635043 MWJHBIJCQLNAGZ-CQSZACIVSA-N 446.313 1.055 30 10 IDEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2COC2)ncc1B1OC(C)(C)C(C)(C)O1 2268699750 UDAUHWYTDQRMJM-OAHLLOKOSA-N 448.329 1.562 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)CCN(Cc2ccccc2)C1 2319991947 XZXYVOXVFFYMDG-MZLICYQSSA-N 439.560 1.964 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 29008438 LNMGWKQTFRPRSD-INIZCTEOSA-N 429.498 1.663 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1 471940875 DFHCXTAIOKNQLV-SFHVURJKSA-N 427.548 1.473 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C 474330645 PUTLVBZJUMRWPR-KRWDZBQOSA-N 448.548 1.565 30 10 IDEE COc1cnccc1N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 483197165 OYAFBCKFVQJCPK-IBGZPJMESA-N 440.573 1.683 30 10 IDEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)n2)c1 501878265 ZBDUNGXSRBXNGF-INIZCTEOSA-N 439.497 1.516 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)Nc4sccc4C#N)CC3)C2=O)n(C)n1 506598684 YVLDICYPCQGOFI-KRWDZBQOSA-N 441.561 1.413 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 516466160 RQYOHTOLJXTACY-UHFFFAOYSA-N 438.981 1.700 30 10 IDEE Cc1ccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1S(=O)(=O)NCC#N 518177969 YNXCKRYRWGELQS-UHFFFAOYSA-N 444.513 1.733 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C3CC3)c2=O)c1 537396114 XJQOLYRSTCCRAV-UHFFFAOYSA-N 436.493 1.369 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)n1 544833674 KWERTSNQPVNTFO-SFHVURJKSA-N 439.541 1.703 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 732466414 NIGIJOILNBXMHE-FMQUCBEESA-N 447.923 1.572 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)cn1 732561076 FOVGPKLHRLLYAV-UHFFFAOYSA-N 425.489 1.282 30 10 IDEE C[C@@H](C(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)n1cccn1 732707185 VKZQZPWMYFCUCL-KXBFYZLASA-N 435.488 1.220 30 10 IDEE COC(=O)[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(C#N)cc1 740178102 HRMYAKJYSOBQEJ-SFHVURJKSA-N 427.438 1.444 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 743728894 QVTPVAPYJXKJKC-CQSZACIVSA-N 432.571 1.129 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1F 780178048 XHJMMGCKPLVBFD-IBGZPJMESA-N 442.465 1.973 30 10 IDEE C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(Cl)cc1 794068348 CDRSETVYUUNHME-RDTXWAMCSA-N 431.901 1.831 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(C3CCCC3)cc2)c(=O)n1CCN1CCOCC1 812275129 OKEMMIVCWKQKEP-UHFFFAOYSA-N 434.565 1.926 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@H]1CCCO1 814249648 VKTZLOKJQPUGSL-OAHLLOKOSA-N 448.495 1.423 30 10 IDEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)NCc1ccc(F)cc1 1084330842 QXYCEWOUWXTKLT-UHFFFAOYSA-N 444.452 1.894 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(F)cc3)n2N)cc1 1084536949 QYXGEOBYKSZAEQ-UHFFFAOYSA-N 429.481 1.994 30 10 IDEE CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1133256584 VCMUEUGAORSKJC-OAHLLOKOSA-N 428.470 1.209 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CCC2)[C@@H](F)C1 1139855024 DZDSJOLWUOCJMG-BZSNNMDCSA-N 436.553 1.929 30 10 IDEE C=C(C)C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1153517080 TYDSLYCNZRVDCC-GJZGRUSLSA-N 432.539 1.425 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1286324444 PTTHSDAUBOAXIM-OAHLLOKOSA-N 438.579 1.507 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1286359125 QQSGAEHLHRJRLW-SFHVURJKSA-N 449.515 1.970 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC=CCO1 1286466794 KGLNORQDKLROGK-FQEVSTJZSA-N 437.548 1.883 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1286466972 OYNMAFANAOGMNT-HXUWFJFHSA-N 445.589 1.687 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(CC)C(C)C)CC1 1286478474 BXQDSOUTVBCPBZ-UHFFFAOYSA-N 427.553 1.491 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[C@@H]2COCCO2)CC1 1286490552 XSGKMSQAKBJLBH-GOSISDBHSA-N 441.507 1.856 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)CC1 1286566212 RDIVLFNWVMSFMB-QFBILLFUSA-N 432.525 1.270 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1286581110 FYARFXFWMULDLL-HZPDHXFCSA-N 429.612 1.909 30 10 IDEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286634807 XYNSKEUNJRVCBG-INIZCTEOSA-N 444.923 1.373 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286768979 LXFRKLGEYUYTET-JTQLQIEISA-N 431.444 1.446 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1286785277 IESOLTULQJAINR-INIZCTEOSA-N 440.577 1.926 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286788059 PGCMWYRXQYZQEU-QZTJIDSGSA-N 430.553 1.565 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ncc(Cl)n1C 1286789110 AIIHFLUEMYBRJS-UHFFFAOYSA-N 431.932 1.465 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286793730 KRPPWQJMDNNPIW-LZLYRXPVSA-N 445.568 1.055 30 10 IDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)n[nH]1 1290460517 DIHQYUIYJCBWRE-AWEZNQCLSA-N 435.492 1.065 30 10 IDEE CCO[C@]1(c2nnc(N3CCCC3(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1296630842 MAIIMQHFHOIKSV-CRGRJFMMSA-N 444.536 1.835 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1300383836 IEOHYQKPTSJRKI-SFHVURJKSA-N 430.578 1.937 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1300409783 JYEBCLDPHMZZDY-DLBZAZTESA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1300481555 AJTWNQDKOHVRIY-QGZVFWFLSA-N 437.566 1.507 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300489998 XASPMAIDTSWQHA-QUCCMNQESA-N 443.573 1.293 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H]2COCCO2)CC1 1300701228 LPHNSZITJNUERV-KRWDZBQOSA-N 431.487 1.708 30 10 IDEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1300996353 DUWMHTFJQNPPQD-UHFFFAOYSA-N 428.537 1.954 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(N(C)C)CCSC2)CC1 1301065436 FCBHBZWOLQNOKA-QAPCUYQASA-N 428.628 1.482 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1301219000 ISWZJTBGDGWHON-UHFFFAOYSA-N 437.504 1.768 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301496435 AMEXQVNCBMXDKY-UHFFFAOYSA-N 440.552 1.535 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301514279 IJAJZWSNNOZQOG-ROUUACIJSA-N 438.532 1.437 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCN(CC)CC2)C1 1301536353 UVYRQBHNJXQNAB-HXUWFJFHSA-N 445.612 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1301577859 OXRFAMAPBJDYHR-UHFFFAOYSA-N 434.522 1.219 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2(F)CCC2)C1 1302479599 NJRWVQBDVIRSER-KSSFIOAISA-N 444.508 1.335 30 10 IDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)COc1cccc(Br)c1C#N 1302817537 HEZBDCUJZBFGMT-ZDUSSCGKSA-N 427.251 1.510 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2cccc(Br)n2)CCO1 1303004494 PXVDIGUKDKGGST-ZDUSSCGKSA-N 427.266 1.670 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)C1 1303556415 GQQZVSSHLCACPL-NVXWUHKLSA-N 427.567 1.440 30 10 IDEE C=CCCC[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1303686023 MHLKZLHFXUHMBU-HUUCEWRRSA-N 432.539 1.425 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1305233440 BPTRKQBTDMILAD-VQIMIIECSA-N 444.561 1.161 30 10 IDEE COC(=O)[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCOC1 1305794263 PWMQOFRRSTZIKG-BLLLJJGKSA-N 436.306 1.699 30 10 IDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)C2 1306834360 QDLANRPGOHSTCW-SCRDCRAPSA-N 435.278 1.812 30 10 IDEE N#Cc1cc2c(n(Cc3nnnn3CC(F)(F)F)c1=O)CCN(Cc1ccccc1)C2 1307372841 ATHOMDJOHLNSCL-UHFFFAOYSA-N 429.406 1.875 30 10 IDEE CCn1cc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CCO2)cn1 1313831904 AJIVOBHEKBCWGV-GOSISDBHSA-N 438.492 1.724 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1316253388 RLJHJGDTVIHZAB-WMZHIEFXSA-N 440.548 1.373 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1316505369 OJFFEWUYCAJPFS-ZJYNUGOYSA-N 437.504 1.870 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1358984383 SIQJTDUHXZZCIM-UHFFFAOYSA-N 443.515 1.755 30 10 IDEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1359012903 CNONCTISTGAKSB-NRFANRHFSA-N 432.546 1.483 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)OC)CC1 1359047308 ANBMSUVEZXYXPC-ROUUACIJSA-N 433.553 1.393 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359141449 HLNHVOSVHMWQJL-OLZOCXBDSA-N 426.930 1.936 30 10 IDEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1359228941 TWTHMASNXPQQCF-SFHVURJKSA-N 426.521 1.684 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359331889 JZNHFJCATPUHQJ-UHFFFAOYSA-N 443.573 1.648 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1359474494 SKSSNTCZVBNXLR-QAPCUYQASA-N 449.533 1.448 30 10 IDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)COCCO1 1360837245 NZJVLEUUKJMVAY-XLIONFOSSA-N 431.518 1.246 30 10 IDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)c1 1435184285 JUHJTQFNGPTCAR-VDGAXYAQSA-N 425.489 1.706 30 10 IDEE Cc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1I 1439794283 HKWVMPIWTDICNO-XHDPSFHLSA-N 430.267 1.610 30 10 IDEE CCO[C@]12CCC[C@@]1(NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1439925508 IASIUWLCHRRKON-YHYVQYDKSA-N 426.473 1.955 30 10 IDEE C#CC[C@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1450531119 YFPJLBAARZMOMG-CYBMUJFWSA-N 442.310 1.250 30 10 IDEE CSc1ncc(I)c(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1458649034 ONBOJTIMDCKWMX-UFBFGSQYSA-N 436.300 1.178 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc4c(c3)N(S(N)(=O)=O)CC4)n[nH]2)c1C 1464320519 WWQHACNLZHHEHW-UHFFFAOYSA-N 441.517 1.894 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2=O)cc1 1471272243 UQZNSZGQMSVWKH-GOSISDBHSA-N 431.452 1.279 30 10 IDEE COC(=O)c1ncoc1CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1471481294 UKCQNYINPHGZAI-ZDUSSCGKSA-N 434.474 1.231 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H](C)[C@H]3CN(C)CCN3C)c(C#N)c2N)cc1 1471602824 SYQFKGNZDVEFRD-DYESRHJHSA-N 438.580 1.501 30 10 IDEE CC(C)N(CC(F)(F)F)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1473069201 JVCBCNIDZXBJBT-UHFFFAOYSA-N 432.399 1.023 30 10 IDEE CC[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1497523445 BNIYRFGQZGUBQQ-XXJLXKPQSA-N 429.525 1.569 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H]3CC)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1502700672 QCYMKXHFFBDBFG-VTFIKYRWSA-N 444.536 1.835 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCn1cncn1 1503461504 CVBXYGZBZJNRLT-UHFFFAOYSA-N 428.460 1.725 30 10 IDEE COCCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504811594 JDIUJFGSMNBHDG-SFHVURJKSA-N 441.584 1.747 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)F)CC1 1505320041 RALJYRHCTRHBTO-UHFFFAOYSA-N 434.426 1.670 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1507514374 CSNLLEPDOKCHES-HUUCEWRRSA-N 432.550 1.096 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1507746696 SMBFGYXDIOIEOG-YJBOKZPZSA-N 427.596 1.262 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507751701 QWOZRECCBYXVEC-LJQANCHMSA-N 446.621 1.283 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507800468 NONAWEJYYYYNAD-NUJGCVRESA-N 434.566 1.976 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1507836520 NTRSBKAPSDTJQN-QFIPXVFZSA-N 434.585 1.497 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1C 1508037185 KEAOUXKYNFFMJS-UHFFFAOYSA-N 431.522 1.164 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1508076861 IEQMOJAJOUMGCH-IBGZPJMESA-N 441.580 1.753 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)C1 1508118774 SETLMQKKJQRPKO-HNNXBMFYSA-N 447.565 1.156 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 1508144155 QYFORBCBMGEJLQ-GOSISDBHSA-N 431.562 1.366 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508147805 CGPUWYZFOOAMAF-UHFFFAOYSA-N 442.586 1.046 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)[C@@H](C)C1=O 1509425299 ZWLSMUKNPUEJHQ-XDHUDOTRSA-N 449.559 1.988 30 10 IDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1525109233 JQNIPTYKUHIAMP-MRXNPFEDSA-N 430.448 1.967 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Br 1526641714 ULLSLGLCOPRTBT-MRXNPFEDSA-N 429.292 1.116 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)cc1 1531579111 CGHHKNINKSYYHO-KRWDZBQOSA-N 432.502 1.012 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)C2CCCCC2)CC1 1539427655 GHPDWDGNPQVBAI-UHFFFAOYSA-N 441.580 1.060 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNS(=O)(=O)CC)CC1 1539900179 IUONUJZESBIBPO-IRXDYDNUSA-N 427.571 1.344 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1539982348 NMJUGBWUQUILFN-HNNXBMFYSA-N 436.538 1.410 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540021028 ZMMAOVAKWXMRLP-PGRDOPGGSA-N 433.553 1.881 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1540201406 SPQLLEVWGFRKKC-DLBZAZTESA-N 448.545 1.659 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1540863976 LLMLZSNFRDZXHV-IBGZPJMESA-N 449.515 1.055 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(S(C)(=O)=O)CC2)C1 1540896271 JKZBXYJNBQEVMU-ULQDDVLXSA-N 440.566 1.361 30 10 IDEE CC(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1541760882 DXCCQTLODYTLSU-GOSISDBHSA-N 441.511 1.992 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCc1ccccc1 1541945738 KUBFSBJLKCQFNK-SJLPKXTDSA-N 432.550 1.640 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1547311663 DHSLXSXBQJKLGU-XLIONFOSSA-N 437.548 1.452 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1547628344 CPHYWBBRGLVZDJ-CQSZACIVSA-N 428.522 1.747 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1555796924 MCFLGBUPEHSUFJ-JKSUJKDBSA-N 437.472 1.864 30 10 IDEE CS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555807742 CJNSNUHOXHMKNB-UHFFFAOYSA-N 443.577 1.649 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1557240696 LZVNTGSYUWRNIU-LPHOPBHVSA-N 442.541 1.971 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)c1 1557671514 MEKAWPWNFWRLBG-UHFFFAOYSA-N 426.498 1.448 30 10 IDEE N#CCCn1cc(C(=O)NC[C@H]2CCCN2CCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 1569470241 PHHHQLNGKSWJAW-GOSISDBHSA-N 426.477 1.949 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1588006592 OJDNIQJWFHHMDU-SFHVURJKSA-N 426.521 1.445 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1588025182 UWMGMYGORJXTCE-INIZCTEOSA-N 439.582 1.106 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1588161997 FRCVDVBGKNKGGH-UHFFFAOYSA-N 442.541 1.178 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC1 1588811212 CPOISMLOLWXCRR-KRWDZBQOSA-N 428.503 1.812 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)OC)CC1 1588962065 SMYYBCPSVKRCRJ-SFHVURJKSA-N 425.533 1.900 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1589047682 FNMDYYVCQJINCN-IRXDYDNUSA-N 443.577 1.469 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](C)(C(=O)NC)C1 1589304891 LWDJFKXKJYIVGU-GUYCJALGSA-N 430.347 1.873 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1593625416 VKAQKXOVOSEZPU-MRXNPFEDSA-N 443.552 1.619 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCCCCC1 1595759510 FUTXMMOQVUGIEP-OAHLLOKOSA-N 433.600 1.260 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1615905373 AGKVNOIWSOUDBP-MRXNPFEDSA-N 442.520 1.853 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)CC2=O)cc1Cl 1616200720 VBQLIAZVJGNUAN-QAPCUYQASA-N 435.933 1.990 30 10 IDEE Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1630030437 HYVVQLIZOHHXBM-UHFFFAOYSA-N 426.864 1.766 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1632493241 IKVAPRLSBROEDU-MRXNPFEDSA-N 427.482 1.142 30 10 IDEE CCCCNC(=O)CN1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1634754364 GSILMGHMYZVLFJ-UHFFFAOYSA-N 437.338 1.760 30 10 IDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(N2CCCCC2=O)cc1 1635770881 APIMZQWBDCQJHD-HZUJVAHNSA-N 430.530 1.844 30 10 IDEE N#Cc1cc(NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)ccc1N1CCC(O)CC1 1636142518 PFWNBNSNARRELW-FQEVSTJZSA-N 438.484 1.745 30 10 IDEE N#C[C@@H](CO)NC(=O)CCCc1nnc(-c2ccccc2I)o1 1636604948 HFUOTVNVBCPIAN-JTQLQIEISA-N 426.214 1.665 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2nncn2C)C1 1637065949 GQRWSPSSOBGJDZ-ZBFHGGJFSA-N 430.534 1.284 30 10 IDEE C=CCNC(=O)CNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1637325533 UTMODKGEXTWGQC-IBGZPJMESA-N 441.532 1.786 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN(C4CCOCC4)CC3)C2=O)cc1 1645195388 LONXSPVNYFFRDE-HXUWFJFHSA-N 439.516 1.523 30 10 IDEE CC(C)(C)N1C[C@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 1645988289 YBLSEWLPZRMVMG-DOTOQJQBSA-N 425.489 1.526 30 10 IDEE COc1cccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1648153633 RYMPWGAKIZTXPD-IFXJQAMLSA-N 432.527 1.370 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1648858641 ISVPCSGZCLSGHA-CYBMUJFWSA-N 426.495 1.140 30 10 IDEE C#CCN1CCC(NS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1657038509 JTLBDVHQPUGUPN-HXUWFJFHSA-N 435.546 1.041 30 10 IDEE C[C@@]12CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@]1(C)CS(=O)(=O)C2 1660054430 JTDZHISJTGPBPM-KDURUIRLSA-N 428.476 1.930 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1)C(=O)OC 1661655582 ZIWCPWPWIADJJB-CQSZACIVSA-N 431.308 1.963 30 10 IDEE C#CC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CCCC1 1665115163 BUMXVKQVWBQMDC-HNNXBMFYSA-N 425.532 1.220 30 10 IDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 1666476642 YPOSJFXAMZKWIW-SFHVURJKSA-N 434.539 1.604 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)C1CCOCC1 1684187910 FPLFKBWSSGFDPF-QGZVFWFLSA-N 427.473 1.409 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cccn2)CC1 1690110644 UZBZBBLDAHAHDR-UHFFFAOYSA-N 432.532 1.406 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1690245678 LPGNRYDNCJASMQ-AOIWGVFYSA-N 448.593 1.840 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690316920 OMHPKZMMPJEKTK-IBGZPJMESA-N 446.596 1.683 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690497175 JFLCWTHDRSSSNO-VPSFDDGASA-N 427.571 1.078 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1690596938 DZERGCVTJBRPNT-BRWVUGGUSA-N 425.555 1.214 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1690622298 MIPMJMPKHOQLLN-LPHOPBHVSA-N 443.639 1.256 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1CSC 1690675072 OURBBYSOVJGVAO-AWEZNQCLSA-N 434.591 1.904 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)C1 1690685133 WHNMHYPMCXDAQM-HMFYCAOWSA-N 433.553 1.926 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1690993304 HZUMHRVLXXSMDF-NUJGCVRESA-N 439.630 1.995 30 10 IDEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H](C)C1CCC1 1695528841 BKZXAKIPJWIQBX-MEUCICPISA-N 443.552 1.958 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)cc1OC 1696128059 KKMNKMTZYARDRZ-QGZVFWFLSA-N 428.493 1.607 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1698170368 KZFBPJLBGYVGGD-OXQOHEQNSA-N 427.505 1.852 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC[C@H]2COCCO2)c1 1705507579 HFKDRCOKGMWYNW-VQTJNVASSA-N 439.516 1.991 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1705559206 UIONSBIZCPTJLK-MRXNPFEDSA-N 431.518 1.091 30 10 IDEE C#CCN(c1nnc(C)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 1705559935 BZLRRRPDPAKXFR-KRWDZBQOSA-N 437.566 1.613 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCOCC1 1705600452 ZBXRJECPIBNCRR-OAQYLSRUSA-N 445.571 1.948 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1705629196 ZPANQQBPXCIRKK-SFHVURJKSA-N 445.545 1.273 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705694421 QRWWCWQLIDUXRL-BXWFABGCSA-N 439.520 1.574 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC2CCOCC2)CC1 1705763245 QYZNWEFQWFPBNZ-MRXNPFEDSA-N 427.571 1.630 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)CC1 1705763387 UTYHEIWNAZPKAQ-KRWDZBQOSA-N 439.630 1.071 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705791275 RRYJADDKQVXCTG-LSDHHAIUSA-N 429.525 1.304 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705938897 MMOWMDUFGZKEQV-LPHOPBHVSA-N 428.555 1.145 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C 1706748053 FRLYLTBCOODRMO-OAHLLOKOSA-N 446.581 1.845 30 10 IDEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)c1 1707703676 DHFGCNDZRKXGRB-FQEVSTJZSA-N 448.531 1.752 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)OC)CCN2C1=O 1710174528 ZGKQYROIXCRPCD-QGZVFWFLSA-N 437.504 1.714 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1712052943 BDABEJIVCUWWEC-GOSISDBHSA-N 430.534 1.467 30 10 IDEE COCC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712271157 VGDUUFIZYZNYRV-MXLIYFDZSA-N 430.509 1.171 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1712639809 LHPNMPKYYNLCFI-FIKGOQFSSA-N 428.468 1.591 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCSCCCO)c1 1712878166 HRJLFCLSJCSLKS-KRWDZBQOSA-N 428.518 1.573 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722359004 HWMUXZJIPOAPIC-DYESRHJHSA-N 432.546 1.741 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1-n1cccn1 1722419119 OMIDMWRSJRRGTP-UHFFFAOYSA-N 434.504 1.229 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1722438128 ZFQULFBHNXXEAE-FCHUYYIVSA-N 443.640 1.549 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2csc([C@@H](C)OC)n2)CC1 1722450328 DJHKOKDVABIVDB-OAHLLOKOSA-N 446.577 1.993 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722522232 FWVPJOFQUFFKMI-LJQANCHMSA-N 438.532 1.705 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722614846 DWMRIURCCJCBIO-NEWSRXKRSA-N 429.569 1.184 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1722682285 ZEIITGWROOBZLA-IRXDYDNUSA-N 434.566 1.278 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722693392 MGVFRUITZMCDQF-KRWDZBQOSA-N 426.521 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC)c1 1722727561 PDMIYQKBYHNERC-QGZVFWFLSA-N 433.534 1.475 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722728775 BAKVFLRZSYPCIW-QZTJIDSGSA-N 432.594 1.784 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722940344 XYRAHZZBOIIIRG-WUKBZCGHSA-N 441.536 1.252 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1Cc1ccc(C#N)o1 1723923670 ATMNYRZTVCCJEP-ZIAGYGMSSA-N 434.522 1.407 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)cs1 1725410582 HKLDNAMRVFGWOK-MRXNPFEDSA-N 438.579 1.578 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1727193745 PGRRZIJJUOEPJJ-KUOYXJDGSA-N 443.552 1.958 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1727193747 PGRRZIJJUOEPJJ-PVHMMBIOSA-N 443.552 1.958 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)COCCO1 1740537558 FJQBYNJFIPLLEY-VFNWGFHPSA-N 446.577 1.810 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1740620564 DOEXAQLQEKIOBH-QGZVFWFLSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1740626844 WOELOTCKVZFCTE-LJQANCHMSA-N 443.573 1.707 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740636213 VNOKQZGPYSBOGL-GOSISDBHSA-N 427.516 1.914 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1740672030 VEBGWEAHGIMOIR-IBGZPJMESA-N 447.561 1.322 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc(C)cn2)CC1 1740692851 PUFNAKHEYLJTQK-JOCHJYFZSA-N 427.553 1.279 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@@H]2C1 1740709232 KTOAXQMKLGGIOD-QGZVFWFLSA-N 425.562 1.966 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740791891 AZSIQUQAQBUUJI-BZSNNMDCSA-N 441.598 1.686 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740888963 UENPOUBWZDZMHX-MSOLQXFVSA-N 429.525 1.667 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1740960117 LMTNQUIVJIIWPG-IBGZPJMESA-N 440.548 1.813 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1740962020 PKVICZSGYWFODD-QGZVFWFLSA-N 426.521 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740988270 YZEJQPWXTXXHHA-SFHVURJKSA-N 449.577 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1740988367 BZCRYARSCJBDTN-QGZVFWFLSA-N 429.502 1.417 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1747730055 CDDUTZAPOZENMX-GHTZIAJQSA-N 445.545 1.230 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748805019 MYUKWTLRTNKWPC-CVEARBPZSA-N 442.607 1.243 30 10 IDEE COc1cccc(C(=O)NCCn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)c1 1748891113 BDMIDVXDESQSPI-SFHVURJKSA-N 435.488 1.451 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749048633 SGYCGLFXRPIWGD-LAUBAEHRSA-N 435.594 1.648 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)C(=O)C1 1749133062 HEWPKLPQUIYJLK-KNQAVFIVSA-N 440.548 1.540 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1749723660 BINAVINIYZIHHN-GOSISDBHSA-N 447.517 1.292 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cnn(C)c1 1749965492 CJTJROALUZSZKG-AWEZNQCLSA-N 438.492 1.319 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1751091053 DYYJWOSLYLHAAU-LLVKDONJSA-N 429.344 1.829 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCN1CCN(Cc2ccccc2)CC1 1760094939 AYUVBUSBLRIBGU-HXUWFJFHSA-N 437.592 1.692 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760146955 BMHJIZWHHHDALI-SFHVURJKSA-N 441.557 1.963 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1760187171 ILLLQXWDORPWFY-SJORKVTESA-N 426.608 1.942 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1760206118 RBYUXOGVMDPDLN-QGZVFWFLSA-N 433.559 1.102 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1760216769 AMPIVTRLFVLBAW-GOSISDBHSA-N 429.475 1.554 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H]2OC)CC1 1760265061 MPUFBGNMMCOSAQ-RBUKOAKNSA-N 442.564 1.295 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1760299776 HKNFUSYIKSUZOU-CYBMUJFWSA-N 441.330 1.746 30 10 IDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760441723 RYDOZQWHOCVAEE-UHFFFAOYSA-N 436.564 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760521912 HIEVRXAALZNNEP-MJGOQNOKSA-N 444.580 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CC(N)=O)CC1 1760552649 WBNIDEKIQFYSIV-UHFFFAOYSA-N 435.525 1.777 30 10 IDEE CC(C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760819328 BBOSREUFBZNJIL-IBGZPJMESA-N 437.548 1.584 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)C1 1767251311 DZKMKAVFJDGJLH-OALUTQOASA-N 444.561 1.760 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@@H](C)C1 1767771190 DRIKLCAMPJQMDX-SFHVURJKSA-N 439.564 1.890 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CCOC1 1768212802 CWYZWYSNGMVQNG-XFQAVAEZSA-N 447.561 1.880 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1771332232 RPBYWFADAUUIPV-RMYFCYLKSA-N 443.895 1.745 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772793972 WBXCSOTYPDOSQL-OAHLLOKOSA-N 431.445 1.504 30 10 IDEE O=C(c1cc(F)c(F)c(F)c1F)N1CCCN(S(=O)(=O)NCC(F)(F)F)CC1 1853334536 FLHALSFHISFZGN-UHFFFAOYSA-N 437.337 1.788 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCc4ccccc4O3)C(=O)C2)cc1 1854031898 FXCCITHGLCKCMD-IBGZPJMESA-N 425.466 1.312 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C1=O 1854609356 VVJZBTNYVSKVLA-VQTJNVASSA-N 431.558 1.950 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3c(Cl)cccc3Cl)C2)CC1=O 1856786517 CAMLVVSUQKJLSW-NWDGAFQWSA-N 449.312 1.876 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc4ccccc34)C2)CC1=O 1856804727 DWIRTKDSYINOHS-IAGOWNOFSA-N 430.482 1.722 30 10 IDEE Cc1cccc(O[C@@H](C)C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857065903 BZNGQGMSUNQIDI-FUHWJXTLSA-N 433.530 1.703 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3[nH]ncc3c2)cc1OC 1870098491 HJLNQJUFQRYKHU-UHFFFAOYSA-N 425.430 1.833 30 10 IDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc3c(c2)OCO3)cc1=O 1871009224 KRRUIVRJLDNIQX-UHFFFAOYSA-N 441.465 1.897 30 10 IDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N(CCO)CCCC)ncnc21 1873593762 HGZXBKAITXVUCR-UHFFFAOYSA-N 430.553 1.278 30 10 IDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)cc1O 1874470769 PIUIHLZIQJQHGA-DJKKODMXSA-N 434.503 1.948 30 10 IDEE COc1cccc(O[C@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890228760 ATJVARWLAWDKDZ-HXUWFJFHSA-N 429.561 1.721 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1891126884 LMKDXWFKJXZZGJ-UHFFFAOYSA-N 429.502 1.350 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1896413448 QPBNAACDCYGZFU-ZIAGYGMSSA-N 425.482 1.483 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)COC1 2085657126 QHLJOVAKLFCFPY-UHFFFAOYSA-N 433.314 1.861 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)C1 2247556358 GEDZSPCBPWANGH-UHFFFAOYSA-N 437.493 1.483 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247918973 NNIZKSQLHRKUEX-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248412561 LPDAXPLSSBYNPS-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255614493 JZZZRSSQPJSZCD-UHFFFAOYSA-N 434.346 1.920 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255626373 FVPLCHAURMGZQW-GUTXKFCHSA-N 432.330 1.694 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632282 LBCIJROAZSKQCB-GHMZBOCLSA-N 430.236 1.381 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC[C@@H]1NC(=O)C(F)(F)F 2255635205 FORRSHMSFIRQHG-QWRGUYRKSA-N 447.288 1.971 30 10 IDEE CCn1cc(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255807411 SYYOPTGTGMRKEB-UONOGXRCSA-N 434.346 1.988 30 10 IDEE C[C@@H](CCOCc1ccccc1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255932989 IWMRJANVUBTQTI-INIZCTEOSA-N 449.382 1.993 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256733171 KXAUWXVATHODMJ-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE Cc1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266993788 MHEDINRVKDWBBV-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2287685201 DYUWONHNRZNFNG-XLIONFOSSA-N 440.518 1.187 30 10 IDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1cc(OC)c(OC)cc1OC 2331563908 SBRPVFVSSLPWTJ-UHFFFAOYSA-N 437.522 1.951 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(=NO)C[C@@H](C2)C1 2365579874 MSCBGZZMQPBAEK-ARGWCVDVSA-N 437.493 1.903 30 10 IDEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cn1 59883832 ZJGOTSWRRCKKQE-KPSZGOFPSA-N 430.498 1.548 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)ccc1F 433498014 SWKPVFDNHZCDCN-CQSZACIVSA-N 429.429 1.383 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(CO)Cc4ccccc4C3)CC2)cc1 437927686 FJPLJTNLWLSELZ-UHFFFAOYSA-N 439.537 1.605 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 461841164 VSJQBOUATOSUJH-IRXDYDNUSA-N 425.555 1.359 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 478842874 GMEXVVJOKFDWNT-INIZCTEOSA-N 446.532 1.929 30 10 IDEE COc1cccc([C@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 484817208 SSEIUTMFESBIFU-FOIQADDNSA-N 429.498 1.834 30 10 IDEE COCCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCOC1 490050266 YNUDSWLTTBVCSE-MRXNPFEDSA-N 429.477 1.192 30 10 IDEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 506961304 HHRRARKVOQVDKG-DLBZAZTESA-N 431.518 1.470 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCc2nc(-c3ncccn3)no2)cc1 524103594 LGVQJQMVJIVKHU-OAHLLOKOSA-N 435.469 1.871 30 10 IDEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 543185409 KWLOQKXEHNYBHA-QGZVFWFLSA-N 444.469 1.780 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CC#CCN2[C@H](C)CC[C@@H]3O[C@H](C(=O)OC)C[C@H]32)O1 556534155 OEBHFZITWSIKOL-YZEYAELDSA-N 448.560 1.357 30 10 IDEE CCN1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 558115090 RXASVQSHEQEMKE-HXUWFJFHSA-N 425.533 1.014 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1n1cccn1 590534793 IOEIYZKNPBNOOI-RMJJICAUSA-N 436.472 1.495 30 10 IDEE C#CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 729333307 VHQACOWSTQIKHX-PKOBYXMFSA-N 445.541 1.612 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1CC 730141063 ZCLWWBKCHCBQBJ-MAUKXSAKSA-N 447.605 1.773 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 732496670 DULANDWJPKZPAT-HYXAFXHYSA-N 438.387 1.850 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)/C=C\c2cccc(Br)c2)CC1 747277809 KRZZZIZJOPEDNW-QPEQYQDCSA-N 440.363 1.507 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1 758639803 GWWOTOBPNCMBSQ-DOTOQJQBSA-N 434.518 1.189 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC 765840134 ZVAWCDGMFGDGLO-UHFFFAOYSA-N 446.504 1.767 30 10 IDEE COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 774666076 TYGMZJXEPXCICE-NHCUHLMSSA-N 427.549 1.790 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 780827512 HJCPBUGQUNAFJO-LZICOFPGSA-N 439.451 1.225 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)ccc1F 784386779 AKYAHGGJJAKEKT-QGZVFWFLSA-N 432.477 1.610 30 10 IDEE C=CC[C@]1(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCCN1C(=O)OC(C)(C)C 790193263 AFXCMTTZDCXSBM-LAUBAEHRSA-N 441.594 1.664 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(S(C)(=O)=O)c2)cc1 791668781 FHVAAZQCLLOYOE-UHFFFAOYSA-N 435.479 1.041 30 10 IDEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 792743918 CXBFXOQLBKSJJF-DLBZAZTESA-N 429.546 1.197 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 795935074 YMHFIOKCVVADQZ-QGZVFWFLSA-N 443.552 1.328 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)[C@@H](C#N)C1 796491568 JMXBRHGYTQABQA-INIZCTEOSA-N 447.561 1.477 30 10 IDEE CC(C)(C)OC(=O)N(CCCNS(=O)(=O)N1CCO[C@H](C#N)C1)Cc1cccnc1 800012800 KNHMYVMBUQQQFR-QGZVFWFLSA-N 439.538 1.268 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccs1 802702441 IKVCUDIRFXCTBS-ZFWWWQNUSA-N 435.579 1.175 30 10 IDEE COc1cc(Br)ccc1CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 804083702 DHZLIQAKNUZQMT-UHFFFAOYSA-N 432.278 1.569 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N[C@H]3CCOC3)cc2C1=O 804633902 BOSDEPCOZAMENF-IRXDYDNUSA-N 441.484 1.978 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C)n1 809874913 GBLYBBMSNIUFTD-UHFFFAOYSA-N 432.488 1.212 30 10 IDEE Cc1cc(C)c(N2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)c(C)c1 811415285 QFYOASTYOHDOQH-LJQANCHMSA-N 440.525 1.684 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 812175310 MYBGAYMSGUJMHH-HZPDHXFCSA-N 434.541 1.830 30 10 IDEE C[C@@H]1Cc2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)ccc2N1S(C)(=O)=O 916178684 KKXRNMAGWLIZOT-CYBMUJFWSA-N 433.511 1.529 30 10 IDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OC 916935328 OXDRFGFWCAQFOV-HNNXBMFYSA-N 442.472 1.948 30 10 IDEE CC(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 918894791 XGIJBCOTKYQTLH-INIZCTEOSA-N 441.444 1.009 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 918986714 RSJBVCVWGBIMQY-ZWKOTPCHSA-N 435.502 1.205 30 10 IDEE CN1CCC(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)(c2ccccc2)CC1 1149686072 BOMIRQFRJBMJGM-UHFFFAOYSA-N 426.542 1.616 30 10 IDEE C#CCC1(O)CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)CC1 1153262796 QHTAPEUMRQVGJA-UHFFFAOYSA-N 445.541 1.961 30 10 IDEE C[C@H](CC(=O)Nc1ccccc1O[C@H]1CC(=O)N1)/N=C1/NS(=O)(=O)c2ccccc21 1162420447 XYWALVVGQAFQPI-BLVKFPJESA-N 428.470 1.367 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)CC1 1175515009 NOPXCWIRAOEZHP-UHFFFAOYSA-N 443.485 1.027 30 10 IDEE C[C@H]1[C@@H](C)OC[C@]12CC[C@@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)O2 1178157028 BDFWJIYKDRJNBX-IRTFSXLWSA-N 435.546 1.593 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC1 1203898058 SIFKZBYJZZZMFB-UHFFFAOYSA-N 445.467 1.182 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCCN(C(=O)NCC#CCO)C3)[nH]n2)CC1 1235579451 CHRDTQOOGHVGAV-QGZVFWFLSA-N 446.552 1.352 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1272605928 KZDWTROFRPDODK-WIEQDCTASA-N 426.510 1.794 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286363657 QQWRGOLNCWTVHL-VGOFRKELSA-N 429.496 1.483 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286386181 WDDAOYUQDMGADG-IAGOWNOFSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286388472 PRPRLIMJXLAHPN-KRWDZBQOSA-N 441.513 1.925 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1286407132 DHOGSRGUHTWYDM-HXUWFJFHSA-N 438.576 1.726 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1286454673 ZURHFWPKIRBHPG-DLBZAZTESA-N 444.561 1.401 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCNC(=O)C2CC2)CC1 1286484297 LJWBZQSGKVZRSF-UHFFFAOYSA-N 438.532 1.147 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1286504889 RWCGDFIIHZEQMF-JKSUJKDBSA-N 427.530 1.872 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286544713 YTJVYMAVDNJXOU-UHFFFAOYSA-N 441.374 1.024 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286621669 HFXZFDNFSQRMTK-HNNXBMFYSA-N 449.943 1.575 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1286726696 HPBUUXDWYHLFAV-OFLPRAFFSA-N 427.571 1.438 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1 1286798288 FKCQYZGXLVNOCR-LJQANCHMSA-N 441.532 1.690 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286819896 YZSXHOSZERWPMW-UHFFFAOYSA-N 445.545 1.424 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C(C)C 1286820447 LQSWFTNNANFQTL-HOTGVXAUSA-N 430.596 1.406 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286829060 VNQLHXVFXHMBNU-UHFFFAOYSA-N 446.581 1.172 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1291294198 GHZMVMCCSPPECD-VQIMIIECSA-N 443.577 1.381 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1293869026 JGHLXSFSIQWCBN-QXAKKESOSA-N 429.569 1.859 30 10 IDEE CCOC1CC(O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1296964284 UHPBXESJYODVON-DBWCEAHUSA-N 433.459 1.806 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1300479571 POEBMIYYHOMZJE-BRWVUGGUSA-N 437.541 1.279 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301478082 HQEDLYLJVJFFEU-HNNXBMFYSA-N 428.497 1.724 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301510360 VJAFGKSVIKFWET-IEBWSBKVSA-N 429.521 1.708 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C/c2ccccc2OC)c2ccccc2)CC1 1302921772 SJKNUILPOVHTPK-DYTRJAOYSA-N 439.537 1.848 30 10 IDEE COc1cn(C)nc1[C@H](C)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1304055941 UMMMQVQIJSWCHQ-DZGCQCFKSA-N 433.534 1.759 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1313479930 ALJXIBXLCSDXPF-LJQANCHMSA-N 437.548 1.897 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313955706 HXJDWDIJDVVYRF-AUSIDOKSSA-N 440.571 1.979 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)ccc1OC 1316298052 SNKBKSFBGYGGFA-FNHZYXHNSA-N 431.468 1.927 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1316529522 FPCIIBWEEQPJQT-MSOLQXFVSA-N 442.545 1.486 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1320064033 TZETXFMNVMVQDK-DLBZAZTESA-N 428.938 1.677 30 10 IDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1348583368 PDECJFPGINIVLH-GFCCVEGCSA-N 449.754 1.974 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1353916776 GUXOCQBJAMFCDZ-UHFFFAOYSA-N 426.498 1.477 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358869675 RPJQXVBGHOYRMC-MRXNPFEDSA-N 429.546 1.565 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1358904234 ZSNDCGWMDPKFHL-UHFFFAOYSA-N 429.569 1.948 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1358905089 RORWIJBZCNTLBL-INIZCTEOSA-N 436.582 1.283 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358957536 VSXRRRIMNQDDMR-DOTOQJQBSA-N 442.607 1.243 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1358977127 DAIIGDXTFNQRLM-SFHVURJKSA-N 425.514 1.166 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(F)c2F)CC1 1359038123 LDWYHTXYADTJFS-UHFFFAOYSA-N 428.487 1.677 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CC(OCC)C2)CC1 1359039536 MOBJWANBFLLNSA-NCMKUFGYSA-N 445.608 1.882 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(=O)NC 1359051466 XLVGJTMOOXIJIV-UHFFFAOYSA-N 435.575 1.287 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1359296980 AKRSTADHGTXODB-IAGOWNOFSA-N 441.536 1.010 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1359302659 PFBXDXJIZRXYRL-UHFFFAOYSA-N 443.515 1.783 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C2OCCO2)c1 1360207157 SNMXGUFIDBQFRV-OAQYLSRUSA-N 428.468 1.952 30 10 IDEE C#CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1 1449778815 HAUHTGRTEPDQBO-UHFFFAOYSA-N 430.530 1.756 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1456222036 QBZQJECRQRCHRM-PZROIBLQSA-N 440.547 1.739 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1464664558 CQZMTHICJJPQRA-HZPDHXFCSA-N 428.961 1.963 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 1470393906 IKKXTPDQAXAOKN-IYBDPMFKSA-N 447.536 1.410 30 10 IDEE CON(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)C(=O)OC(C)(C)C 1471253821 NTURRWBNCXZKRP-CYBMUJFWSA-N 425.507 1.626 30 10 IDEE C=CCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1OC 1472274131 CRKSCARYWJUBAM-ZGOJQLDESA-N 437.514 1.889 30 10 IDEE N#Cc1ccc([C@@H](C(N)=O)N2CCC(n3nncc3I)CC2)cc1 1473645437 UHRINMHLBYFUAO-HNNXBMFYSA-N 436.257 1.618 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 1475667108 BCSIEXZEJHHNFA-GFCCVEGCSA-N 435.365 1.229 30 10 IDEE CCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1502291814 HYMUUQMRURQMIQ-QKLQHJQFSA-N 437.614 1.893 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1504999029 MFBBDQRSZFYQAT-HOTGVXAUSA-N 441.554 1.088 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)CC1 1505321157 IMFIAOYHGPRNKF-GOSISDBHSA-N 430.534 1.848 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1507540363 ZHFLGXLWVWVYDH-HZPDHXFCSA-N 439.582 1.943 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507791825 SORBSOJWLAKJFM-CIWUYKSXSA-N 444.580 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1508082818 XIQRVNIMDNXSSI-GOSISDBHSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508089319 JIDWQELZBLXHJF-SFHVURJKSA-N 430.553 1.661 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508145248 YPCZDMXMHRSXMO-SFHVURJKSA-N 444.561 1.066 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)C1 1508145638 NWJPRRPAGLQFLQ-UHFFFAOYSA-N 439.488 1.026 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N2CCC(C#N)CC2)CC1 1508279011 NTNLUOUAOSNVLU-UHFFFAOYSA-N 442.593 1.538 30 10 IDEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)C2 1510364159 PEYKUBBHEDPRFS-OAQYLSRUSA-N 426.477 1.247 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O 1511971576 PEGIYOWETLUCTG-MRXNPFEDSA-N 444.561 1.699 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1515392358 BDFXWZIFTSNALU-WIYYLYMNSA-N 447.561 1.618 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2nnn(C)c2C(F)(F)F)c1 1527211550 PETWRSZIFOGVRJ-WSDLNYQXSA-N 430.412 1.899 30 10 IDEE CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1535221517 GCVNYYBNELEWOJ-UHFFFAOYSA-N 445.501 1.784 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCC1 1538983135 OASUUYUZKDQKRK-MRXNPFEDSA-N 431.562 1.958 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCNS(C)(=O)=O 1539548305 KVOUXKQAOYMTQI-OAQYLSRUSA-N 447.561 1.894 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1540077842 TYZKGJHQVMLNBT-HRAATJIYSA-N 436.557 1.275 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1540863157 QFVHYQPWSAFOJT-ZHRRBRCNSA-N 445.495 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540902009 XQODPXRCYDZVBN-UHFFFAOYSA-N 435.510 1.703 30 10 IDEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1541624889 FBHZMHKMOPKOJH-UHFFFAOYSA-N 435.536 1.941 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1Cc1ccc(C#N)o1 1541673908 HKXADFHMSHZVCQ-UHFFFAOYSA-N 435.488 1.961 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1541696410 WKNWOHHHDDMILO-UHFFFAOYSA-N 432.488 1.990 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1541880501 NIFTXRXNDVZRRV-HZPDHXFCSA-N 429.525 1.712 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542756293 ADXQRUTUJYINJD-KTVWJZFRSA-N 436.516 1.929 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c1 1545501496 YPBBEHUMVTVPFG-UHFFFAOYSA-N 426.494 1.787 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547703856 KFUWXWXNNVCVNW-LPHOPBHVSA-N 444.609 1.389 30 10 IDEE CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1554187912 SGOKEGWOAGWEMD-UHFFFAOYSA-N 441.517 1.304 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1556132435 KSRRMNCYFYHAAA-WMLDXEAASA-N 436.534 1.734 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc3cc(OC)ccc3n2C)s1 1556283246 JKFSHSBTENIPDW-UHFFFAOYSA-N 434.543 1.967 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)C(=O)OC 1556970745 HFROEFNBNRTDSY-KRWDZBQOSA-N 434.445 1.930 30 10 IDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N[C@@H](CC#N)C(F)(F)F)ccc21 1559037437 WZKAXKXTQSMLJF-LBPRGKRZSA-N 426.399 1.917 30 10 IDEE C#CCN1CCN(C(=O)CN2CCOC3(CCC(NC(=O)OC(C)(C)C)CC3)C2)CC1 1560174708 UDAFTJIAEBNDTP-UHFFFAOYSA-N 434.581 1.302 30 10 IDEE Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1566153618 FVWWHLHWGZQYTM-BEFAXECRSA-N 438.337 1.952 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCN(C)C 1587921715 GWDOZBYOTMCXMV-UHFFFAOYSA-N 433.582 1.194 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1588064682 MXCZWYWFTRPYBP-LJQANCHMSA-N 437.525 1.645 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1nc2cc(OC)ccc2n1C 1588159192 RUXUVYZEMLTWAH-UHFFFAOYSA-N 431.500 1.417 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 1588199778 ZWHOQCBENXJVLB-ZDUSSCGKSA-N 446.342 1.379 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1588292903 GIIJQRWGUFYUHY-KRWDZBQOSA-N 439.516 1.671 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccsc2)CC1 1588962343 ZVMUWTYRKVFYJQ-UHFFFAOYSA-N 440.573 1.671 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1589403611 AKZBYVARZPWIIP-RRFJBIMHSA-N 445.383 1.952 30 10 IDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCOC2)CC1 1594097280 PSGRRUHTVWSUQW-VGSWGCGISA-N 449.552 1.894 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595544013 FCCLXXCREVPRJK-DOTOQJQBSA-N 444.540 1.049 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)NC)C1 1595700468 OGCUCTQHIVEGON-CQSZACIVSA-N 426.930 1.324 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1596695653 FJMLNRGONGPGMA-QHCPKHFHSA-N 448.531 1.828 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1596823276 RYCGSWQTXPSLOD-DBXWQHBBSA-N 434.610 1.976 30 10 IDEE COC[C@]1(CN(C)C)COCCN1C(=O)COc1ccc(C#N)c(Br)c1 1597953069 VDQGCWWGHJNXEP-GOSISDBHSA-N 426.311 1.505 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1612200777 OPRDIHOZLUCHIY-VZCXRCSSSA-N 437.504 1.384 30 10 IDEE CCN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1615089844 DYALWTNOEOOREI-AWEZNQCLSA-N 431.928 1.936 30 10 IDEE CCN1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1615888774 MUKBZBFNDMMGLL-HXUWFJFHSA-N 438.580 1.795 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F)ccc1F 1617100654 BIRNWGZSMYRVNT-HNNXBMFYSA-N 425.404 1.429 30 10 IDEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCC1 1619046306 HBRRYHHNXLSZMT-UHFFFAOYSA-N 445.545 1.923 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1620041369 GMHDOEAQEABXRK-YWZLYKJASA-N 429.456 1.140 30 10 IDEE C[C@]1(C(=O)N[C@@H](C#N)CO)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1624090583 HZQDYBLIWLEOJK-CCHLGUQTSA-N 435.480 1.761 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnn3c(=O)cc[nH]c23)c1 1626104424 WFHCKIZMHASJLP-JJIBRWJFSA-N 442.501 1.868 30 10 IDEE C#CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCS(=O)(=O)C1 1626434188 FYFAZUQOQCYBKS-GWWPLSDWSA-N 435.546 1.422 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1627531843 CCSLTQSPPXHQIN-JWZBEHFJSA-N 434.518 1.349 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1627692106 GNGPCBBJLNZOFR-QFBILLFUSA-N 445.951 1.623 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)C1(CO)CC=CC1)c1cc[nH]n1 1631825727 IVSLHQBCYLQMPW-HXUWFJFHSA-N 426.473 1.880 30 10 IDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1632808810 DCZDMKVPFFNZPD-DXXXYDMZSA-N 435.521 1.954 30 10 IDEE C#C[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1640186388 ITOPFUQNMZSXJC-LJQANCHMSA-N 431.558 1.480 30 10 IDEE N#Cc1cccc(C2(NCCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CCOCC2)c1 1643869347 UAPBJEFFAHJFPE-UHFFFAOYSA-N 439.516 1.830 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#C[C@H]1CCCCO1 1648586777 SLDTVLITUWJZFP-NVXWUHKLSA-N 428.551 1.914 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)C1=O 1654148712 JAFJVPMMDQQFGK-CVDCTZTESA-N 435.484 1.412 30 10 IDEE C[C@@H]1NC(=O)[C@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]1C 1654910186 HUMRMIHROZGXQF-KKUMJFAQSA-N 426.477 1.052 30 10 IDEE C#CC[C@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1658187972 LSYRIFMMGMUGNH-OAHLLOKOSA-N 425.507 1.266 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1665750697 OKORWARAAJQUNP-UHFFFAOYSA-N 445.872 1.133 30 10 IDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1687074436 JEHPFCJTOCAVDR-UHFFFAOYSA-N 443.522 1.292 30 10 IDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1689928900 ZIJBTTJFGPEQFF-SFHVURJKSA-N 441.536 1.990 30 10 IDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1689959832 OKWOWSOGGVPPNE-SOLBZPMBSA-N 439.520 1.829 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1689966189 MOYCINQMRVPMMW-NVXWUHKLSA-N 447.586 1.570 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1689982596 QMELTFLOPPDGHX-SFHVURJKSA-N 449.964 1.751 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689994009 PHAWNYAXITYINA-PMACEKPBSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690007858 LORHCDUCZAAHEU-LJQANCHMSA-N 425.558 1.862 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690115096 RRLDNBHPQAPQDR-IIBYNOLFSA-N 426.477 1.148 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OC)CCCCC2)CC1 1690143790 CABUFLYCJVFVEG-GOSISDBHSA-N 442.564 1.544 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1690184219 FJZVOASKPVZACC-UHFFFAOYSA-N 444.561 1.694 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690238764 NGIQWGCJDWOLQI-HOJAQTOUSA-N 441.532 1.886 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690284628 NITYHENZIOCDSW-UHFFFAOYSA-N 429.525 1.229 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1690464662 IDNOFIDDARIGCN-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690487699 BULHXPIFZKPGGZ-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE C=CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1690542236 HHLWPCFSMQKSDM-UHFFFAOYSA-N 434.504 1.097 30 10 IDEE CCOC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695996852 FGUSVYDCRPRJIM-SJORKVTESA-N 440.552 1.974 30 10 IDEE CN(C)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1696604916 ZPTLDTOVCOKXHO-MRXNPFEDSA-N 431.928 1.833 30 10 IDEE COC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697092263 GEDPSUBBACYJBP-IRXDYDNUSA-N 440.552 1.974 30 10 IDEE COCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1698081070 HGDHHCQEKZOKBD-NXDJFEHLSA-N 445.568 1.259 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC(C)(C)C1 1705503027 NEVGVNPHQBJRBM-MRXNPFEDSA-N 430.578 1.838 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1705575401 JLEAURFCKQRYMM-JOCHJYFZSA-N 442.541 1.912 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1705604506 NQDJHYTXKNSUAX-MGPUTAFESA-N 436.509 1.566 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)NCC2CC2)CC1 1705642618 AQTZEPUETRHQQE-UHFFFAOYSA-N 438.532 1.147 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)cn2)CC1 1705647626 IDDZJPGKKUFTOA-KRWDZBQOSA-N 426.496 1.720 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1705863145 JFWUELSSXPGFSV-CQSZACIVSA-N 425.530 1.991 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCCN2CCCC2)CC1 1705903503 XBWLXBJJZBBTKH-IBGZPJMESA-N 446.596 1.556 30 10 IDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705947130 ALAODXWQOZPCKM-UHFFFAOYSA-N 436.607 1.655 30 10 IDEE CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706434509 AHOLILWLAAELOI-MXLIYFDZSA-N 443.552 1.815 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1706672074 XHOIMIDOQWWIHN-MTNREXPMSA-N 433.553 1.989 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1710909255 JNISNJGTRYTVAT-JGVYIQDASA-N 430.534 1.862 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1711014861 HADUMJLARAXFNI-SFHVURJKSA-N 432.550 1.018 30 10 IDEE Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 1711283688 MMGOZIIHXLYCHR-UHFFFAOYSA-N 445.409 1.736 30 10 IDEE CS(=O)(=O)NCCn1c(N2CC[C@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1712714374 WEUNBGISFRLQRC-IBGZPJMESA-N 432.525 1.739 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCOCCCO)CC2)c1 1712882056 UNEYHPDEPQUIMO-IBGZPJMESA-N 441.536 1.164 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCn2nc(C)nc2C1 1722324994 CQWBTEXADIFGPI-UHFFFAOYSA-N 425.518 1.682 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1722351539 JCQARDFKYKCRJA-GOSISDBHSA-N 433.534 1.068 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1722381102 HSFAJYVMANWDHR-ROUUACIJSA-N 440.548 1.949 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1722442056 WRDKEJAQQXJJQO-GBXCKJPGSA-N 439.560 1.769 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1722462320 LVIRSHVPWWCPRZ-UHFFFAOYSA-N 448.574 1.524 30 10 IDEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722481195 ZIBSGMRIWNHGIG-CQSZACIVSA-N 448.281 1.976 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1722494622 QVYARMBPHBSSKD-BXWFABGCSA-N 432.569 1.845 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)N(C)C 1722632037 FOVKHBCEMGVUMS-UHFFFAOYSA-N 434.566 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722730349 PINZRSKWQFXFOS-UWJYYQICSA-N 438.594 1.996 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)(F)F 1729544226 IBJSFRCSEPFFSM-UHFFFAOYSA-N 446.455 1.729 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1(C)C 1730384616 AIEIMSVXCRAPDX-SFHVURJKSA-N 434.504 1.831 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730562635 QGYZVRWLRWNMLZ-FTFAEBDGSA-N 430.509 1.171 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1740619371 IEDYLGYCTPTCJS-PKOBYXMFSA-N 448.545 1.242 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740620218 CGSIDIOHXDGVDP-GOSISDBHSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1740634326 KZOCHLWKOMSMEP-MRXNPFEDSA-N 426.498 1.224 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1740643913 WKJZLZTYLRYPTB-UHFFFAOYSA-N 426.542 1.722 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1740660086 FIERRBQKKYUDGR-UHFFFAOYSA-N 433.472 1.297 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCO2)CC1 1740699067 ZMSWPZWRFVSCHL-IBGZPJMESA-N 441.557 1.449 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1740749892 GXQDZJNFCROUHD-DLBZAZTESA-N 432.525 1.384 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1740762843 WFKJBAOBIFNTJG-SQNIBIBYSA-N 439.582 1.438 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740965009 KUCRYWPGLZJIPS-WYADAEROSA-N 433.553 1.482 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740992378 GNBTUVAFYBRIBB-OAQYLSRUSA-N 447.536 1.468 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)CN2CCOCC2)n1 1742693829 BQGHFFABUOUYRP-KRWDZBQOSA-N 426.569 1.848 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1745335181 BQQVCIJABFXZBT-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1=O 1748061653 DSPGXBWISAMHGB-UHFFFAOYSA-N 425.493 1.620 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1748661927 OFOFFSAPTWZRLX-CYBMUJFWSA-N 433.563 1.485 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748811426 GRJKJBPYASTEMB-RBUKOAKNSA-N 444.605 1.642 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748811799 LOUGQRFJCDQOMN-SFHVURJKSA-N 441.561 1.506 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2(O)CCOCC2)CC1 1748978885 RSNYJYVFYWERMU-HSZRJFAPSA-N 447.580 1.006 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1749147363 GGGYMBUPGDWTDB-UHFFFAOYSA-N 445.387 1.998 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749663546 JGSXBCSBEJYIRK-UHFFFAOYSA-N 426.550 1.663 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2)C1 1749730348 APBZZIZWDGATSI-IBGZPJMESA-N 442.545 1.857 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1750079130 NQKTVTYWRMNSRL-MRXNPFEDSA-N 439.520 1.522 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1750194101 DHWRKXQESFFIBI-SFHVURJKSA-N 426.502 1.790 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCSCCCO)cc1 1750383133 PKHXWLDXILMHNE-QGZVFWFLSA-N 427.534 1.146 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccn2C(F)F)CCOC1 1751025862 JMAZSWFWAQCCJX-IFXJQAMLSA-N 437.451 1.687 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)CC1 1751277045 OZTYLDBAPCYRSJ-IBGZPJMESA-N 443.596 1.881 30 10 IDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CC(=O)N1CCN(c2ccccc2)CC1 1760163712 ADMAGZFAGCXEBE-IBGZPJMESA-N 440.548 1.420 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760181943 FLWLVTKXFSSAMZ-ZWKOTPCHSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760189327 HPOCPDCXJJGAGL-MRXNPFEDSA-N 447.527 1.742 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760189877 QSIDWVJSKYHVBZ-CQSZACIVSA-N 429.531 1.175 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1760283017 ZAWMPFRDLCPZJL-RTBURBONSA-N 432.638 1.833 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1760521677 AQMKFEJYCNUUFV-UYAOXDASSA-N 441.532 1.888 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)NCC)c2)C1 1760533234 CXNWKWMHDJOLCT-LJQANCHMSA-N 440.548 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760557041 YHNDFEPHGBIJCT-KRWDZBQOSA-N 449.602 1.732 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1761272072 WSUPAOGFCKAYQU-CQSZACIVSA-N 439.929 1.050 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763045987 NFARZGBOQZSYSU-QFPXGYFVSA-N 443.552 1.815 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1763267679 NHGQPUCRMXVVFB-YWZLYKJASA-N 433.534 1.228 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1767540554 HJSOCMBAJXLCIL-MWTRTKDXSA-N 438.532 1.973 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1=O 1769070454 GKYFWRBCTRDTBK-UHFFFAOYSA-N 428.518 1.062 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nc(C)cs1 1770045412 ZSATYPDHFDXDNG-WBVHZDCISA-N 431.566 1.992 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCC#CCN1CCOCC1 1850241931 JWVZLXQASZRIIG-IBGZPJMESA-N 441.981 1.485 30 10 IDEE CCc1ccc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2COC)cc1 1852500542 OTENJHWAWPKWBG-UHFFFAOYSA-N 432.488 1.600 30 10 IDEE C=CCN(C(=O)CCCn1nc(C)n(-c2cccc(OC)c2)c1=O)[C@H]1CCN(C)C1=O 1852817266 BGRVCDRDWGMKKU-IBGZPJMESA-N 427.505 1.377 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H](N(C)CCC#N)C2=O)c1 1854338631 PZCBIWFKVNQMQL-MOPGFXCFSA-N 432.546 1.511 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[C@H]1C 1856260291 WTLSPSZIXQNUFY-IAGOWNOFSA-N 432.546 1.836 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccccc2C(=O)O)cc1OC 1862572420 FLEMYSXZOYKHRB-GOSISDBHSA-N 427.409 1.973 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 1867781706 GNMRSWHQOKQLGI-SFHVURJKSA-N 437.456 1.851 30 10 IDEE O=C(NCCc1cnc[nH]1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933406 GCOSYDPJFCZSOW-SFHVURJKSA-N 441.488 1.558 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1C[C@H](C)O 1870535205 LBFVZNRVNRSHEO-IBGZPJMESA-N 434.581 1.240 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1879734189 ZCZZJVMDADZUQZ-KIMHZCHSSA-N 449.357 1.807 30 10 IDEE COc1cccc2c1OC[C@H](C(=O)N1CCC(OCC#CCN3CCN(C)CC3)CC1)C2 1889438984 RIDLRPATHQMOPA-OAQYLSRUSA-N 441.572 1.505 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCC(COc3nccnc3N(C)C)CC2)cs1 1891409620 NGOAARZQOMZKMD-UHFFFAOYSA-N 430.534 1.846 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)ccc21 1891917787 QAWHCFCJLLHCPR-MRXNPFEDSA-N 427.486 1.489 30 10 IDEE CC1(C)OB(C=CCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 1892924785 QHRFXXFHFXKHJU-UHFFFAOYSA-N 434.323 1.780 30 10 IDEE CN1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2124534935 VEFIPAHREYJDKA-IVSAIRAKSA-N 449.357 1.615 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C 2248406017 YIGJVYPKKLGTPD-CYBMUJFWSA-N 440.371 1.858 30 10 IDEE Cc1csc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2248406234 ZZBVPQHVASTUOX-ZDUSSCGKSA-N 440.371 1.858 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609592 IMWDHKOHDGIYSI-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2255656383 ZSIJVEAJUOGJRT-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255658743 IJAZVSPPVKVVFC-GHMZBOCLSA-N 430.236 1.238 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1NC(=O)C(F)(F)F 2255712361 MJTPVEYRRPMYDN-RISCZKNCSA-N 429.248 1.843 30 10 IDEE Cc1c(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267140954 GVWGNGSMUOGAQS-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2267272036 WNSRKOFWEJSNIS-OKILXGFUSA-N 447.345 1.338 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267539076 YAVROGDSIWAWMK-SJLPKXTDSA-N 439.369 1.612 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267541642 GWVOAYAABVXAPX-YEJXKQKISA-N 447.345 1.101 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2267547948 CMLJMYPHYZKQTI-OAQYLSRUSA-N 448.329 1.189 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@H]21 2268708341 ZWEZIAXBVLSPBO-BRWVUGGUSA-N 445.325 1.954 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)[C@H](C)C1CC1)NC(=O)OCc1ccccc1 2286033380 RZUNNUKXABGJIW-CRAIPNDOSA-N 437.518 1.798 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)CC1CCC1)NC(=O)OCc1ccccc1 2286033706 WTWOLVCDIISZRA-GOSISDBHSA-N 437.518 1.800 30 10 IDEE CC1(C)OB(c2sncc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2315696017 BWHDHTHVBPGMME-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE Cc1cc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320562269 MBHQCJXXGXWDJK-KRWDZBQOSA-N 434.342 1.796 30 10 IDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 2329260413 IBDVPGVDTRYFPH-UHFFFAOYSA-N 442.457 1.951 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C2CN(C(=O)OC(C)(C)C)C2)C1 2337196417 KSMPXYYPAUEPCJ-UHFFFAOYSA-N 446.357 1.658 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 2337197930 CXDASGYLOFWXIN-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE COc1[nH]c(=NCCOC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339791057 QOAWZJQZGMHIGJ-UHFFFAOYSA-N 449.357 1.859 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(OC)c(O)c3)n2N)cc1 21316546 NMIGQDINCBRDPJ-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1C[C@H]1CCCO1 446114919 XPEXOHBUYQEZFF-QGZVFWFLSA-N 441.553 1.435 30 10 IDEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 462089387 AYDLZUIVXIZFEY-IBGZPJMESA-N 433.472 1.634 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 478735109 GHSOCYKYLJFZRA-QGZVFWFLSA-N 446.532 1.780 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1 481006308 XUGGKGRYWRXCSL-UKRRQHHQSA-N 428.536 1.308 30 10 IDEE CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486964092 AUNWRMXGSOLVHQ-GOSISDBHSA-N 438.488 1.976 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1F 508828611 QAENWNMVGHQHQW-KRWDZBQOSA-N 439.513 1.451 30 10 IDEE N#CCNC(=O)CNC(=O)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 511919855 OFZBHVZWAMXOMW-UHFFFAOYSA-N 443.401 1.644 30 10 IDEE Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N(C)C 515109074 WVPYDEVQQQJKCW-UHFFFAOYSA-N 428.518 1.866 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1Cc1ccccc1 532165330 ZKAHDTGKNNZEDU-UHFFFAOYSA-N 437.546 1.833 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 603798384 KVRXMJCQPOFYCI-KRWDZBQOSA-N 427.501 1.353 30 10 IDEE Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)NCC#N 608868411 RAYLAKAILOWLCW-AWEZNQCLSA-N 435.527 1.691 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 611916186 NJDSBCLECAHDKP-UHFFFAOYSA-N 448.548 1.620 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cn1 730144975 UZTJTORWDHNLDC-HOTGVXAUSA-N 435.550 1.269 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CCN1C1CC1 732706787 PJSNTEQMRQCULV-FQEVSTJZSA-N 432.484 1.149 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cn1 732797613 SPUUPNVFLGKFIJ-UHFFFAOYSA-N 444.520 1.330 30 10 IDEE CS(=O)(=O)N(c1cccc(C(=O)/C=C/c2cnc3ccc(C#N)cn23)c1)S(C)(=O)=O 736433602 HFFWWOHYRFUICA-BQYQJAHWSA-N 444.494 1.828 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@@H]3CCOc4ccccc43)c2=O)cn1 742144491 ODBPDRJGAGUPJI-GOSISDBHSA-N 449.536 1.137 30 10 IDEE C[C@H](CC(=O)N1CCCC[C@H]1CN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742661079 GZLHEQYEARGOPG-SJORKVTESA-N 434.562 1.217 30 10 IDEE C#CCN(CC#C)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 752150292 RHDTUHQCIXASBK-UHFFFAOYSA-N 425.304 1.179 30 10 IDEE CCN(C(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 780175027 GJDGLXMDYWGAPA-CKFHNAJUSA-N 430.523 1.215 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 780860430 FGKZWJOZFIEMDC-HXUWFJFHSA-N 429.498 1.070 30 10 IDEE N#Cc1cc(NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)ccc1N1CCC(O)CC1 785004299 KLKTVNRIVCJNFM-UHFFFAOYSA-N 449.511 1.933 30 10 IDEE CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802051672 ZDHUHXUJAAMFPM-OAQYLSRUSA-N 448.575 1.433 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1 806219532 JQVSLEHRZRGECI-SFAXUQRRSA-N 434.518 1.711 30 10 IDEE C#CCN(C)CCCNC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 818609005 FVGOFUTTXNDGGG-RPEUOYKBSA-N 431.536 1.537 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1133379554 UTWZHNZIXUSLCL-UHFFFAOYSA-N 430.530 1.916 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 1136488189 HYNQLHGTXVGRRI-QGZVFWFLSA-N 444.557 1.421 30 10 IDEE C=CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)nn1 1162479910 FBOZUYVKMVVFSU-OAHLLOKOSA-N 439.925 1.505 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cn(C)c(=O)nc1O 1175090072 SHEXEFMLBXEMBS-UHFFFAOYSA-N 437.250 1.214 30 10 IDEE CS(=O)(=O)CCOc1cccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1215028963 FXSHAJXIMMJJSG-UHFFFAOYSA-N 429.502 1.731 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CCOCC2)cc1 1216702869 CKJUCOLJLRBHTJ-INIZCTEOSA-N 436.534 1.375 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286381675 OXMHAAKWDRBMOW-QGZVFWFLSA-N 447.561 1.607 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286397893 VJMVDVVZHJEEIX-RXVVDRJESA-N 438.594 1.773 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286483997 FLWMZKMRBZMFTE-NQIIRXRSSA-N 443.523 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1286492535 IBADXCBMWFKYTD-NLWGTHIKSA-N 429.565 1.953 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286600970 GFNMWBJYJYGBSN-GOSISDBHSA-N 433.553 1.881 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@H]21 1286609270 ZDLHRUANNGKXDK-ZACQAIPSSA-N 425.555 1.192 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286700435 NEWLRKXIQAYJLU-RTBURBONSA-N 437.610 1.695 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286782974 JIXAYBFUGKEAJC-HXUWFJFHSA-N 430.896 1.932 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1286785945 UYJIBQBBBDFHSP-UHFFFAOYSA-N 433.516 1.846 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCc1ccco1 1287216708 HLFNHZBEMNQBEX-UHFFFAOYSA-N 434.504 1.904 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1291621461 UQUMPDLNKWWRER-IRXDYDNUSA-N 443.577 1.820 30 10 IDEE Cn1cc(N2CC[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)cn1 1293766109 FIOCCVIFFIXWLB-JBLFJGJOSA-N 428.537 1.902 30 10 IDEE CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1294588405 FHHPJWBADIQCCG-AWEZNQCLSA-N 435.529 1.636 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CN2CCOCC2)CCCCC1 1297308727 DZSUZUQVEAXEJD-IBGZPJMESA-N 432.569 1.826 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298787906 QJFFUWZPQFATDB-SAZZCXPWSA-N 430.509 1.661 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300488657 UHWOZSMQBPMGIF-NZSAHSFTSA-N 429.546 1.518 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1300531899 IYEKRKPENVSQFP-KRWDZBQOSA-N 429.484 1.581 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCCC 1300560602 GHBBNHBKJJLIMI-UHFFFAOYSA-N 427.530 1.338 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(=C)Br)CC1 1300719445 BHXGVYMNJVOZEY-UHFFFAOYSA-N 430.310 1.610 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCC(F)F)CC1 1300731254 LTQVYJAXOHLXPO-UHFFFAOYSA-N 449.506 1.387 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1300991620 VXZKUKFFBJJDEE-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1301403495 KGZHJYULNCWBIP-WIYYLYMNSA-N 446.529 1.519 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(C)C)C1 1301589323 QMZNTAISYULTHE-IRXDYDNUSA-N 444.623 1.653 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1301977746 RAVFZKFCLNOCQF-HTAPYJJXSA-N 428.537 1.577 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1 1302921318 CNBQNUFIPGVKLR-UHFFFAOYSA-N 427.526 1.268 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1303686309 PJFZOBPGHQXACG-JKSUJKDBSA-N 425.526 1.764 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1303791814 CIXBCELXAMSKAN-MRXNPFEDSA-N 434.518 1.209 30 10 IDEE C[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1304970253 IULGCWLWYGIOKT-IIDMSEBBSA-N 448.549 1.749 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1315608773 IEYAGGWFSCALMN-KRWDZBQOSA-N 426.521 1.793 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOC[C@H]2CCOC2)cc1 1316533332 MCVJKDPFELPPSU-GOSISDBHSA-N 440.504 1.108 30 10 IDEE COC(=O)c1sccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318073434 GOSKWXYNJOQBRY-LBPRGKRZSA-N 433.467 1.264 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1Cl 1354822496 ZSQWTTQCLJVVTO-UHFFFAOYSA-N 448.888 1.525 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1358874223 UWFQTAPLFBDIDW-OXJNMPFZSA-N 426.583 1.990 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1358960672 JJDFECSQXVKASN-KRWDZBQOSA-N 425.518 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](CC(C)C)N(C)C)CC1 1359044160 XLXYQARXAIHGLL-HXUWFJFHSA-N 440.596 1.621 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)CC1 1359055933 SSDMKMJKDSFMQD-UHFFFAOYSA-N 446.577 1.531 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCSC2)CC1 1359165454 PBIYMUAVSILZRH-JKSUJKDBSA-N 427.596 1.521 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359186739 QZPCISXTLZUWPH-UHFFFAOYSA-N 425.537 1.803 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359294535 WTUFLUSTUXUMLU-AWEZNQCLSA-N 448.474 1.941 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359304786 JHOCKWKIZIJSSX-RTBURBONSA-N 445.495 1.683 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1359473510 DFEZWFYRQRQZGC-CRAIPNDOSA-N 426.477 1.245 30 10 IDEE COC[C@@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCCN1C(=O)OC(C)(C)C 1443537911 ROYYLYLWYDMORP-NONRQZMLSA-N 436.509 1.435 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)c3cc(C)oc23)CC1 1455114424 DCPDWOUWPOMBIA-UHFFFAOYSA-N 440.319 1.729 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](C(=O)OC)CC[C@@H]3C(=O)OC)ccc2c1=O 1457932273 DOCDCPQXULJFFZ-CZUORRHYSA-N 445.497 1.438 30 10 IDEE CN(C)Cc1csc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1471374049 NXNZJPSXBUPEDV-UHFFFAOYSA-N 448.574 1.292 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNc2ccc(C(=O)OCC)cn2)c1 1472356433 JFNRYGLYBJIOQD-UHFFFAOYSA-N 429.498 1.897 30 10 IDEE CCC[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1 1473069242 LFIHGPFPKSRBHN-GOSISDBHSA-N 440.500 1.881 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H]2c3ccccc3OC[C@H]2CO)CC1 1473870875 RKMQMHOUEKXSAO-RADWXHQJSA-N 426.542 1.789 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OC 1475689681 XLNUNLMTIRVJSS-OAHLLOKOSA-N 430.548 1.647 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 1475974481 WUUYGYGZACQLEE-UHFFFAOYSA-N 435.594 1.737 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1Cc1ccc(C#N)o1 1503108152 CVIVGBTXPRFWAK-UHFFFAOYSA-N 436.476 1.148 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC(=O)N1CCOCC1 1503131298 BQSVTXHALJYGIA-UXHICEINSA-N 438.532 1.807 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(S(=O)(=O)NC)c1 1507512253 DBNHCBBXLOARSG-HNNXBMFYSA-N 446.577 1.611 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1507532989 HXGNXCUQPMLVJX-IAGOWNOFSA-N 435.532 1.899 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507636032 XMQOSWNJDYGYGH-GHTZIAJQSA-N 429.546 1.052 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1507654353 ZJMISCJWEKWJMD-GOSISDBHSA-N 435.509 1.956 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C2CC2)CC1 1507718588 QTXZHXFLFVSWKU-UHFFFAOYSA-N 446.353 1.317 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507800469 NONAWEJYYYYNAD-RYRKJORJSA-N 434.566 1.976 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1cnccn1 1507804618 HEHLZHATMCSEME-UWJYYQICSA-N 425.537 1.851 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1508076711 VJUQZPASUVIHGS-HZPDHXFCSA-N 430.557 1.922 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)o1 1510830271 SGTSAINZCUCTBF-JKSUJKDBSA-N 436.463 1.931 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1515676072 LDEATDRDJWXPIE-DPPKGPFUSA-N 437.504 1.872 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCCS(C)(=O)=O)CCOC1 1516160943 IHVSSBOLSHURQK-HXUWFJFHSA-N 439.582 1.885 30 10 IDEE C#CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1nccs1 1533903834 ICTGTNJGQIBGOK-UHFFFAOYSA-N 435.527 1.382 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1539215635 HLGRTJITXQTBET-OAHLLOKOSA-N 432.550 1.062 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1539219904 OHXGGASHHQTZES-VGSWGCGISA-N 447.605 1.504 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCOC2=O)CC1 1539462143 CFRLOFDGZNXQOV-RTBURBONSA-N 444.580 1.794 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539903427 ZIYZZZWFGCGQGL-NVXWUHKLSA-N 435.598 1.667 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1540899533 RHRKEIMQMUJQDK-UHFFFAOYSA-N 428.518 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCNC(=O)C1 1540900320 ROCTVGGTPMGGDM-UHFFFAOYSA-N 426.502 1.030 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1541106535 XXQAWAVDNBZSTD-HRAATJIYSA-N 434.541 1.197 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1541112030 DOZOVJSDYAEBGE-KFWWJZLASA-N 425.484 1.181 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1541115645 CHGVRPIMLKHVQQ-SJORKVTESA-N 436.582 1.569 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](COCCOC)C1 1547630436 VTYNWZZRWKMTAJ-GOSISDBHSA-N 436.520 1.966 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC[S@@](=O)C(C)(C)C 1555742998 OPWYKVAWNWMNPR-OTCNBWKTSA-N 427.546 1.991 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CC(F)(F)Br)CCO1 1555992923 DUPWBGRTLWZCNT-VIFPVBQESA-N 445.224 1.722 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1567226541 IIVVTBIERNOTJD-XVNBXDOJSA-N 434.445 1.773 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(-c2ccccc2)no1 1587909306 IMXZQIKJBGNXMH-CABCVRRESA-N 443.533 1.811 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1587990287 VAVKLUALRNFSNW-SFHVURJKSA-N 432.546 1.632 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1588219280 PXTSTDYCUPZHBO-GOSISDBHSA-N 438.532 1.316 30 10 IDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593643325 WWRHUEBMVBCNID-UHFFFAOYSA-N 444.486 1.650 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3Cc4cccnc4NC3=O)C2)C1 1593819682 OICUWCPBWLSDAX-YZEMWESSSA-N 425.489 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(C(N)=O)CC1 1595822009 FPDCAVVPBKQBGN-UHFFFAOYSA-N 431.562 1.366 30 10 IDEE C=CCn1cc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)cc2n1 1597381259 PONNVMHFGIRVDB-HNNXBMFYSA-N 439.497 1.861 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H](C)N(C)C 1611717057 IUFSSUWLVLIITH-RWQQGDIJSA-N 445.593 1.582 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1614069775 FQARULNZZAVZBJ-SFHVURJKSA-N 444.561 1.746 30 10 IDEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCC1 1617045871 HDXSELVVZFSBLR-BEFAXECRSA-N 442.561 1.927 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1617180608 YAJNUASUHSXNPL-GOSISDBHSA-N 437.504 1.620 30 10 IDEE COCC1=CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1619671717 TWKFRKKJWGTHSD-QTIQAUKSSA-N 428.493 1.439 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1623329974 OAKYBNPMCDCJTR-OAHLLOKOSA-N 441.351 1.297 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(CC#N)n3)CC2)cc1 1627202842 VPSUWRVAEJKMOL-UHFFFAOYSA-N 427.486 1.889 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1 1628666037 AILGCWXJSIXWRU-HXUWFJFHSA-N 425.510 1.894 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 1628691589 DYIQAZTYDOERKU-FMKPAKJESA-N 441.575 1.222 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1633324275 KXGMEYNKSWIEDI-UHFFFAOYSA-N 438.525 1.313 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)C2)C1 1633743328 QEHINLCSDKCNFD-JQCXZVQFSA-N 440.566 1.300 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 1634107918 IBAXNGXCXAWAGN-DLBZAZTESA-N 448.568 1.261 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc2c(c1)OC(F)(F)O2 1640525952 YIBATIXGVIVTAC-UHFFFAOYSA-N 437.424 1.796 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)n(Cc2ccco2)c1C 1644411444 GCUONUYFWNMCNU-IRXDYDNUSA-N 430.530 1.923 30 10 IDEE N#Cc1ccc([C@@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCO2)cc1 1655732711 DSKHKJHSEXSDFI-QHCPKHFHSA-N 448.523 1.720 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@]3(CCS(=O)(=O)C3)C2)n(-c2ccccc2)c1C 1659159654 UZLYQGOWXWVOSS-JOCHJYFZSA-N 442.541 1.794 30 10 IDEE C=CC(C)(C)CCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1684146453 SRPSRCCBWIZVKO-UHFFFAOYSA-N 444.598 1.865 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1684615339 SLKDFEKONQCTKC-UHFFFAOYSA-N 445.520 1.680 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCN1CCCS1(=O)=O 1689945337 CSFYRRHDIXDWEU-KRWDZBQOSA-N 447.561 1.922 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1690003556 QIWYCQXUTIEBGN-XXBNENTESA-N 438.532 1.404 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(C(=O)NC)c2)CC1 1690120416 UFXLAGLHJKVZEH-UHFFFAOYSA-N 431.544 1.641 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(C)(=O)=O)CC1 1690130865 OWXGVFOOMMNFSU-UHFFFAOYSA-N 426.546 1.150 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690264496 VTEKYQOFFMKZNN-OKZBNKHCSA-N 444.559 1.978 30 10 IDEE C=C(Cl)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)CC1 1690350247 CMKYGNYVFXZQMN-UHFFFAOYSA-N 443.983 1.722 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1690714484 NFZMUMVUXIDAEE-HSALFYBXSA-N 446.596 1.854 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1690746759 JDQQLWBPRCJTCG-HUUCEWRRSA-N 428.584 1.126 30 10 IDEE CCCCNC(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1695259607 ZQHBGTGYPNXTHF-CZIZESTLSA-N 429.525 1.246 30 10 IDEE COCC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCCC1 1697798506 SJJPIKWLUVVSSB-HZPDHXFCSA-N 440.570 1.214 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1705581552 FEHMZKLFNUVCQA-UHFFFAOYSA-N 449.577 1.510 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCSCC2)CC1 1705642718 FNJAFYXUBIHYFA-UHFFFAOYSA-N 444.580 1.800 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705741173 IAKKYGAJNORYHR-GOSISDBHSA-N 441.536 1.543 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1705834430 KPZJIBUUEUODGA-IAGOWNOFSA-N 432.594 1.957 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1705873903 YWJRHQRLJOIXNN-HSZRJFAPSA-N 433.516 1.849 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1705907512 OYUAOGGMVJJNSH-HOCLYGCPSA-N 444.561 1.576 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCOC2)C1 1705920843 FYUPEOSVFQIWAY-HTAPYJJXSA-N 430.505 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@@H]1CC 1705936109 KBWWEOKFOKQFPV-XHSDSOJGSA-N 430.596 1.406 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1c1cnn(C)c1 1706851918 NFFJBYLCVNNXAV-OWCLPIDISA-N 449.585 1.029 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1706941577 WJCUBLIAQOICKI-OCCSQVGLSA-N 448.325 1.679 30 10 IDEE Cc1nnc(N2CCC(OCCN3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707890940 IAXFLUCKVXXHLD-QZQOTICOSA-N 443.552 1.194 30 10 IDEE Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)n1 1711283026 ABRMTADNUXRABF-UHFFFAOYSA-N 434.508 1.083 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722292234 GLOYZUFSLMJOFI-WMZOPIPTSA-N 431.562 1.929 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCCCC2)CC1 1722440548 KEXJMVQNQJBKCF-UHFFFAOYSA-N 427.597 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)COC)CC1 1722443517 KPWLJBZFYCPSJA-QHCPKHFHSA-N 447.580 1.569 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722476695 FRCLRIPMUPRIQL-AWEZNQCLSA-N 427.347 1.630 30 10 IDEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1722597749 QQTBFGDLNBSWEA-KRWDZBQOSA-N 446.577 1.863 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1722699794 YQKQAXGKROUPEQ-BRWVUGGUSA-N 439.582 1.124 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722715913 RDHFJDJHLITELY-INIZCTEOSA-N 433.534 1.061 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722730348 PINZRSKWQFXFOS-UTKZUKDTSA-N 438.594 1.996 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1723867731 BQEUOBLCQCHCHN-KNKQGSTJSA-N 432.569 1.779 30 10 IDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)OC 1727244249 ADRFGMWSZBAXAS-YJBOKZPZSA-N 432.550 1.712 30 10 IDEE CCC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1727942126 CTCFPHBZIYTHMP-QGZVFWFLSA-N 439.520 1.864 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1728550857 LKARVUJXAYBWDN-HRCADAONSA-N 432.550 1.612 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H]1C 1728624160 WAKPXXKIMMYSFN-KRWDZBQOSA-N 425.537 1.785 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1729761868 BKGXCFUBDPREDZ-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1730878871 XEIBODRJOUJRMG-RDJZCZTQSA-N 449.533 1.183 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1740592419 XKTXXHMPONROGG-MSOLQXFVSA-N 443.552 1.998 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1740627621 RNHUQACTDTYNQR-VQTJNVASSA-N 449.621 1.531 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC=CCO2)CC1 1740700587 CXTAJQMEZNVLAM-SFHVURJKSA-N 449.515 1.236 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1740973359 WGMZOUUCHDZVTN-VIZSFHNOSA-N 447.580 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740991133 PCPJPOQJIJELCG-SJORKVTESA-N 437.566 1.225 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)[C@H](C)C1 1741054952 AUGFBMYXVLXJTP-QGZVFWFLSA-N 442.520 1.185 30 10 IDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1741982754 XTYWOZFUXXZPKO-SJORKVTESA-N 432.500 1.864 30 10 IDEE CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1743992175 BYTUUXZWTHZQCW-QRQLOZEOSA-N 431.585 1.962 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1748789856 OTPAHPQXPQFHRA-KRWDZBQOSA-N 429.525 1.632 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1748811889 NIXFHUPLHXSKBP-QGZVFWFLSA-N 430.559 1.724 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748840986 OMIDAPIJQSNCSQ-UHFFFAOYSA-N 434.504 1.006 30 10 IDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1749312540 MVCYSVJYXXGFOR-UHFFFAOYSA-N 434.566 1.236 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(=O)(=O)CC 1749367035 PFPMOOJPXDALSC-OAHLLOKOSA-N 432.612 1.653 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749609028 UHETZCXPLGBPSR-HSZRJFAPSA-N 448.531 1.721 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749650048 HSWSVHSMQRVLIK-CYBMUJFWSA-N 432.447 1.266 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749705069 FZOPMUDNZMYZJF-MBOBHEEDSA-N 449.515 1.956 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1749732108 PVNZDURXFUQREO-SFHVURJKSA-N 447.561 1.508 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749732586 ZWAMLPKPTMWNLW-YWZLYKJASA-N 437.566 1.860 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1750048058 LONBXCYVYNGEAP-UHFFFAOYSA-N 439.520 1.314 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1750076156 LDUFWPBYFAKXHV-ZDUSSCGKSA-N 428.447 1.896 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@H]1OC 1760205635 GMTOYVQPFYPREW-NHCUHLMSSA-N 449.559 1.576 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1760233504 BBMNEPJYOLBXRU-JPYJTQIMSA-N 446.596 1.919 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760412844 SNWKAOXSKUUSPV-IXDOHACOSA-N 441.598 1.420 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760526934 WGONQGRODWPRRC-KRWDZBQOSA-N 447.561 1.399 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1760533396 FXMPOIPXFZPANC-IRXDYDNUSA-N 437.566 1.120 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1760544180 YYUYQLQYWGAKLJ-HCXYKTFWSA-N 432.569 1.510 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760554719 KWJNKDXNDUFWNP-OXJNMPFZSA-N 426.583 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1760555985 RUBVJADQDWSJRB-SQNIBIBYSA-N 440.566 1.505 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CCO1 1760668124 LZFXCUFBTRMDRG-HXUWFJFHSA-N 426.521 1.711 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1760853186 GOJCHZMLTOCAQY-OAHLLOKOSA-N 432.550 1.859 30 10 IDEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1762646155 HICILYHJYKUJFL-IERDGZPVSA-N 447.561 1.565 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1765319915 UONQPAPQHPSWJX-TVPAPTHCSA-N 430.509 1.660 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1765740069 ZHOSLUFVJCFLAW-XJKSGUPXSA-N 427.465 1.457 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1768808032 PUJCZJOYGIEBTJ-XGIGFIBQSA-N 447.499 1.816 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769390728 KSJKIARDQJFJMO-RMYFCYLKSA-N 439.476 1.189 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1770216676 DNNHMZAWQQQOMK-YJLNNSPDSA-N 444.467 1.509 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1770745213 SKKYJJGPGIPBBP-MRXNPFEDSA-N 449.537 1.020 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1771109554 VRJFLHUECWOTAN-XLAORIBOSA-N 440.548 1.749 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1771222755 LVFQEFGUZKOHSG-QFBILLFUSA-N 427.505 1.908 30 10 IDEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1771235016 YDLPZEKLVOPCEI-MOPGFXCFSA-N 427.505 1.893 30 10 IDEE CC(=O)N1CCN(CC(=O)NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)CC1 1850023691 MALWERQJPVUGEY-UHFFFAOYSA-N 428.514 1.102 30 10 IDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)CC1 1855074999 DVSFSOOPYZCVHY-INIZCTEOSA-N 431.514 1.104 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC(C)(C)C4)ccc32)CC1=O 1855952018 QPWDLTWOIGXNHU-OAHLLOKOSA-N 431.514 1.167 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004730 JEDWHGWSUJFMAS-MRXNPFEDSA-N 446.489 1.977 30 10 IDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 1870098486 GYVFGJYSWBFWBY-UHFFFAOYSA-N 441.492 1.831 30 10 IDEE O=c1c(Br)c(N/N=C/c2ccccc2O)cnn1[C@H]1CCS(=O)(=O)C1 1873527320 UIVWEKQRAVEURJ-MIUNIBSDSA-N 427.280 1.517 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN3C[C@H](O)C[C@@H]3C2)[C@@H]1c1ccc(C#N)cc1 1889716257 CYOILHUJDQUIKO-QCFAMHMHSA-N 428.558 1.229 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C#N)s2)cc1 1891818583 HKGLGVVGLBHYPC-UHFFFAOYSA-N 437.543 1.833 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1991985027 BMYYWDSJDHYAQW-LSDHHAIUSA-N 425.526 1.944 30 10 IDEE C#CCN1CC[C@@H](NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2024555110 UXWTYPGNPVTRIY-HYBUGGRVSA-N 426.561 1.980 30 10 IDEE CC(C)(S)[C@@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C(=O)O 2074743438 UDNCKZLUAMRCSA-SJCJKPOMSA-N 432.495 1.092 30 10 IDEE CO[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2124538455 JZWAYXJYTCKXJZ-OAHLLOKOSA-N 448.329 1.596 30 10 IDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2162568221 OOYVWZQSVXHOGE-ZWKOTPCHSA-N 430.486 1.503 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248568227 NMAQZUQWEOSTFJ-UHFFFAOYSA-N 425.310 1.843 30 10 IDEE Cc1c(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255535986 BUUAWBLOUFRANE-UONOGXRCSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626489 GQVVKHHAHMDCKO-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2255629265 SWJAMSPXIOWIGO-MSOLQXFVSA-N 427.310 1.813 30 10 IDEE CCON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2255632020 HIQBIEJSGXNOEO-UHFFFAOYSA-N 436.318 1.722 30 10 IDEE Cn1cc(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255823674 XKUYVBRAUQCRLN-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267013053 DWVUTPVTSMVTBN-ORQFMDKSSA-N 448.325 1.989 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267171396 JNAQFPDJTUIKRK-QKDCVEJESA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267605277 LSFNHZSCRIBPDI-GDBMZVCRSA-N 444.341 1.857 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2269717597 KOXKVOUNEBDSTJ-HOTGVXAUSA-N 447.341 1.399 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccncc1 2296613838 PMHMPCSBFRDXHR-IBGZPJMESA-N 425.489 1.566 30 10 IDEE Cc1c(C(=O)N[C@@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2343513801 JFLKMEKLUZCSPY-SFHVURJKSA-N 443.353 1.725 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 29755990 RZTXYBPTWQPTCB-HNNXBMFYSA-N 444.469 1.767 30 10 IDEE CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C)cc2)[C@H](/N=C(/C)O)[C@H](OC(C)=O)[C@H]1OC(C)=O 328589510 QHNUAZWNAPSBQV-SSTJLMRISA-N 437.445 1.870 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)C1=O 437035390 JLSNKHGNPBZPBG-AWEZNQCLSA-N 445.476 1.564 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(OC)n2)cc1 442320679 XGXMZMIEACKFEB-UHFFFAOYSA-N 432.502 1.194 30 10 IDEE COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443320232 NRSBUSBKLJKOMC-UHFFFAOYSA-N 428.489 1.694 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2c[nH]c3c(OC(F)(F)F)cccc3c2=O)CC1 443919331 USUHRMVWQBZQJH-UHFFFAOYSA-N 438.406 1.487 30 10 IDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1 466109038 TVYOVLDKUPLTIF-QUCCMNQESA-N 427.549 1.959 30 10 IDEE CN1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488259668 FPSSXPCUOWBYFX-VXKWHMMOSA-N 438.576 1.471 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CSCN3C(=O)c3ccccc3)C2=O)cc1 489245952 CLZQBEGPEVPEHH-UXHICEINSA-N 434.521 1.991 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)nc1 501370688 IEZVSEFPXWOVBJ-INIZCTEOSA-N 431.543 1.517 30 10 IDEE COCC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1 504288639 IQQNJFXEVYHNLI-KRWDZBQOSA-N 432.502 1.945 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 508831986 IADFPZFERHKEEX-LJQANCHMSA-N 443.573 1.899 30 10 IDEE CCOC(=O)c1cnn(C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1C 510627660 DTWWOFQHHXGSCN-OAQYLSRUSA-N 444.580 1.698 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 522109354 LUNWBBYAGCONMB-KRWDZBQOSA-N 439.493 1.869 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)cc1 527187850 ZYDBJTLMYXKJMH-UHFFFAOYSA-N 441.509 1.937 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C3CC3)c2=O)c1 540695643 CRCVJMIYARGCFC-UHFFFAOYSA-N 433.493 1.494 30 10 IDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)cc1F 554970544 LCWBXKDHHZNRFI-UHFFFAOYSA-N 427.479 1.946 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 555264819 XQRJYAAPILONAC-ZWKOTPCHSA-N 433.582 1.881 30 10 IDEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 569220866 CBJJDMJKWKZWJZ-SFHVURJKSA-N 434.905 1.827 30 10 IDEE COc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 576033390 GQVCJBRKZYDKDP-UHFFFAOYSA-N 428.514 1.630 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCN1CCOCC1 588152271 MDVYPBHENTXQBQ-OAHLLOKOSA-N 445.610 1.730 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1C[C@H]1CCCO1 610487216 JGFPGICRPULONB-DJIMGWMZSA-N 441.553 1.833 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619741483 JJJBGIQFNUXHGJ-GCJKJVERSA-N 449.559 1.904 30 10 IDEE C=CCOc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 683123708 BTIBBPUQTTXEBT-GOSISDBHSA-N 437.544 1.828 30 10 IDEE COC[C@@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730139015 PGGKTPQCYDKLEF-YJBOKZPZSA-N 431.562 1.840 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2nccs2)cn1 730143760 DSAJYNBDZANUIM-OAHLLOKOSA-N 449.606 1.602 30 10 IDEE CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737305099 FAXIQJWDFOZMPP-FOCLMDBBSA-N 440.378 1.685 30 10 IDEE CN=c1scc(-c2ccc(NS(C)(=O)=O)cc2)n1N=Cc1cnn(CCOC)c1 742255373 FYBSMOHEWDMOKP-UHFFFAOYSA-N 434.547 1.844 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 742279268 HOBFQSOKSUBGFZ-LLVKDONJSA-N 439.309 1.721 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2n[nH]c3ccc(I)cc23)CC1 742602084 MRMNUYXIOWXDMH-UHFFFAOYSA-N 436.253 1.769 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NOCc2ccc(F)cc2)c1 755570723 JDMHAJRHZLZLBQ-HKOYGPOVSA-N 448.476 1.825 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)CCN1C1CC1 758305374 GOZOEZJYCAAHIR-PMACEKPBSA-N 432.546 1.790 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1-c1ccc(F)cc1 758580682 RINOGQWSYOVOQF-UHFFFAOYSA-N 449.511 1.282 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C#N)CCCC1 759009629 JSFFNSVZRIWZRA-UHFFFAOYSA-N 428.555 1.411 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1cc[nH]n1 772228095 ZJPQDPFCWZQAAR-UHFFFAOYSA-N 437.497 1.551 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cncc3ccccc23)c1=O 772896787 DNYNXOFFRTWBLD-UHFFFAOYSA-N 434.521 1.300 30 10 IDEE COc1cc(OC)cc(S(=O)(=O)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 774417768 AMSUPNUFMYNOIJ-UHFFFAOYSA-N 443.485 1.673 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)n1 790105436 INQDTHOCULFOGZ-UHFFFAOYSA-N 440.548 1.584 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 803699081 PTYLYUYCWLJKBV-UHFFFAOYSA-N 446.525 1.124 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCSc2nc3ccccc3c(=O)n2CCCO)nc1 808012061 DIWXYYVVXOZWQD-UHFFFAOYSA-N 430.511 1.612 30 10 IDEE CC(C)NS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 914720607 NLGUUBKNJIJTLA-UHFFFAOYSA-N 431.493 1.741 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 916185476 VVDFCFVQMYAQGW-CYBMUJFWSA-N 427.438 1.068 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)NC2CCCCC2)C1 916893485 AFJFAUULYCQXNC-RDJZCZTQSA-N 436.534 1.850 30 10 IDEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256641 RVGRFUQCJXRBQY-INIZCTEOSA-N 429.521 1.896 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)cc1 1084269511 YKMLNKWEKCSLHQ-UHFFFAOYSA-N 427.490 1.561 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C(C)C)c3C)n2)o1 1084641375 SFGHXGSPUICQGA-UHFFFAOYSA-N 446.541 1.999 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc(OC)c3O)n2N)c1 1084653975 RUENBCQBZLXNSG-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)NCCO3)cc1 1125202006 AIMBFMNWRFGKOG-CLCOLTQESA-N 442.497 1.874 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CS(N)(=O)=O)cc2)s1 1141260194 KGPDOKYILVQZPZ-UHFFFAOYSA-N 429.545 1.182 30 10 IDEE CN(C)CC#CCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1151236405 IYLGEYXQAQUQCC-OAQYLSRUSA-N 429.517 1.623 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1156253165 BXMUDOJJNFXIRA-HNNXBMFYSA-N 433.559 1.908 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1157884672 JTQXWWOILLFIRE-SGXKBVARSA-N 445.541 1.918 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1179088143 NPSZZXZVBYSYCE-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccc(F)cc4F)CC3)CC2)o1 1197050565 DIJFDKXMYYMMDW-UHFFFAOYSA-N 430.459 1.604 30 10 IDEE C#CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1206409872 FZKPQDFSOMEEHM-STQMWFEESA-N 441.472 1.664 30 10 IDEE Cn1cc(CNC(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)c(-c2ccc(C#N)cc2)n1 1220108748 DPCKOYSJAMHBJX-UHFFFAOYSA-N 443.467 1.831 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286395975 UUHZYPAAZRIHPE-AZUAARDMSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1cccc(O)c1 1286416342 YNUATCXCVUFBAJ-UHFFFAOYSA-N 436.516 1.405 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1286455527 FOPIUKWTRJFFCY-XMSQKQJNSA-N 427.480 1.814 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286604049 NRMGLDSZTXSLAH-UHFFFAOYSA-N 447.971 1.796 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1286713684 HUUZNAVJEYBWFD-OAHLLOKOSA-N 429.550 1.959 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nnn(C)n1 1286738951 KFRIHECYBVOCRP-UHFFFAOYSA-N 425.497 1.189 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286823465 NWQQXIIOONLAAD-QAPCUYQASA-N 438.525 1.804 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1287776353 IWVGJCHYFYLVBU-ZIAGYGMSSA-N 431.917 1.645 30 10 IDEE CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1288201282 CMLMFVOJQQUFMN-SFHVURJKSA-N 444.561 1.603 30 10 IDEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)n[nH]1 1290447534 CSTWIULMEMQASM-UHFFFAOYSA-N 428.522 1.357 30 10 IDEE NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1294496564 UTEDEXDMJLOWDF-KRWDZBQOSA-N 435.377 1.986 30 10 IDEE CCNC(=O)N1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1 1296302981 SLIAUCHXAVFIBA-NRFANRHFSA-N 443.508 1.295 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1299071119 BTDGBQQFYKKBBP-DYESRHJHSA-N 426.546 1.647 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300362837 ALCIJFSRCGUASH-OAHLLOKOSA-N 440.529 1.519 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCNS(=O)(=O)CC 1300438647 QKRQDXJBIJKZQU-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1)c1cc[nH]n1 1300444679 YWDAXYQJLMFWBE-GFCCVEGCSA-N 440.382 1.866 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300633385 HQJOZLNLICDZPE-LJQANCHMSA-N 445.589 1.955 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1300663554 DYGJPTPSGZWZRA-UHFFFAOYSA-N 440.460 1.115 30 10 IDEE N#CC[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1300688363 AANZIODQSGAFBZ-SFHVURJKSA-N 432.546 1.452 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300777889 GJXXPOPGPIQCEK-LEWJYISDSA-N 449.577 1.716 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301023527 UEDPQEMKRJDMAS-YOEHRIQHSA-N 428.493 1.368 30 10 IDEE C=CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1301474072 SMITWPFXARTZJG-VGOFRKELSA-N 438.536 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1301484803 NRGCWDRTEBSAGX-KRWDZBQOSA-N 447.561 1.512 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301512134 MGZYVGANGFGVOD-BSBNDGSWSA-N 437.504 1.729 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301609368 HRRLQDKURALFTP-HNNXBMFYSA-N 430.534 1.704 30 10 IDEE C=CCC1(O)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1303534603 JZAPYUJRFRMOIG-UHFFFAOYSA-N 449.573 1.066 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1305189191 ANSXMJUMLSMFLB-ANNUQZOISA-N 440.479 1.760 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CCOCCN(C)C(=O)OC(C)(C)C)CC1 1307941042 QEGOIIZOCJBZSP-LJQANCHMSA-N 439.601 1.494 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1313989899 UXAXVHMFCLSSLO-UHFFFAOYSA-N 425.537 1.782 30 10 IDEE CCOCc1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1314329607 XQOHTBAOXZVVSC-DVSFIDLUSA-N 444.536 1.472 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCn2ccnc21 1316102043 RMWIKCAWCUTHSU-QGZVFWFLSA-N 426.525 1.541 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC[C@@H]2COCCO2)cc1 1316533245 IWJUWBUJUNLNBJ-GOSISDBHSA-N 431.518 1.103 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2ccc(C#N)cc2F)C1 1352942122 ZRXNJBHUXFQKES-FOIQADDNSA-N 437.493 1.595 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1358895622 NEPAYADYMIBIGN-KRWDZBQOSA-N 441.557 1.679 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC(=O)N2)c1 1358902566 RXMVBMWAORYYRJ-IEBWSBKVSA-N 436.516 1.507 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1358922336 BMUIFQOZEKNZPC-UHFFFAOYSA-N 434.460 1.853 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1358948517 DVCYRDUTYTYEGV-KRWDZBQOSA-N 444.561 1.197 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358959143 CPRMEJJDPXNIJV-CQGGRAHPSA-N 446.598 1.791 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1359024707 SZVMDLHNPKIQKK-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1359059927 FJLHXYLZSRJKSA-UHFFFAOYSA-N 446.602 1.695 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359072400 BCQBXPHQCIZUJI-PKTZIBPZSA-N 442.585 1.995 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1359231136 OQINOKFDGAJKEQ-DYVFJYSZSA-N 447.483 1.961 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359336881 DYBZOTNTNDLRAX-JZWPEALZSA-N 429.612 1.405 30 10 IDEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359585876 RAZCUURRNGWALW-QGZVFWFLSA-N 439.520 1.758 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359630925 JICSBIMEYHTOHQ-RBUKOAKNSA-N 435.532 1.694 30 10 IDEE CC(C)N1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1360152490 MWECLWISYJRXIK-UFVMTTLYSA-N 443.552 1.229 30 10 IDEE N#Cc1cn(CCC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c(=O)nc1O 1448481053 HPGBBIJTJYFRTK-AWEZNQCLSA-N 432.278 1.368 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1457408214 NVSNBBOUPMSPFV-IBGZPJMESA-N 432.565 1.402 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@@H](O)CN(C)OC)c1 1466115156 WDZUYAMFJLNFLP-LSDHHAIUSA-N 431.921 1.712 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 1468951836 WZPIABHNAMAHLG-UHFFFAOYSA-N 439.534 1.098 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(CC(=O)OCC)CCOCC2)s1 1470493258 GPEHWKFSYQBAHD-UHFFFAOYSA-N 430.548 1.374 30 10 IDEE C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472369460 DKJQAVBDRKRUSF-VIFPVBQESA-N 436.255 1.329 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1OC 1474859175 VFGVONOTWNOJIB-SNVBAGLBSA-N 440.312 1.408 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)c1 1475668465 WCYXSQGAFJVATE-UHFFFAOYSA-N 443.591 1.521 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(=O)(=O)CC)C1 1502961228 BWFMHSXUAQMGFD-UHFFFAOYSA-N 447.561 1.618 30 10 IDEE CO[C@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1504046513 GDLKFLIHNGZKOY-QRWLVFNGSA-N 448.549 1.202 30 10 IDEE COCCOCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1505046846 DDQGHUQPRWTJJA-SFHVURJKSA-N 425.493 1.298 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1507520357 BZHGXCLFYJVOAP-LLVKDONJSA-N 444.330 1.854 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(C)cn1 1507606477 NEGBWFCAOOTXAH-UHFFFAOYSA-N 427.534 1.470 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507632365 ZPGUOCJFIBWACD-YRISNDGFSA-N 429.546 1.518 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2cnnn2C)CC1 1507723017 QZYRXLDYAXJMEO-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@]1(OCC)CCOC1 1508092750 GNMWNOAYKXVQOP-NRFANRHFSA-N 449.552 1.354 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508465404 BOXFSBWLELVGJT-CQSZACIVSA-N 439.520 1.479 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1509781992 XEFCOEFOKSAXNA-UHFFFAOYSA-N 444.561 1.761 30 10 IDEE CC(C)[C@H]1OCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1510217383 HADOBVCSQQNDSY-YLFCFFPRSA-N 440.570 1.068 30 10 IDEE Cc1ccccc1OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1511344795 LTNWONXSLVKUPN-IRXDYDNUSA-N 448.549 1.395 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1515095929 KNCVYQAQMSYXAA-QHCPKHFHSA-N 437.548 1.644 30 10 IDEE CN(CC1CCCCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1517217516 KNJOXJPQBIQZNG-YGCDDZCOSA-N 441.536 1.772 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ncc(Br)cn2)ccc1F 1537335868 SODLUJZSECJVAW-UHFFFAOYSA-N 429.271 1.773 30 10 IDEE C#CCN(C(=O)c1cc(Br)cnc1Br)[C@H]1CCS(=O)(=O)C1 1537469367 QDDXHWDIWGBHQK-JTQLQIEISA-N 436.125 1.869 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539161564 MMKYLDTUGHAXQE-AWEZNQCLSA-N 437.953 1.958 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1539210376 DLLARIJBOQKOKU-KRWDZBQOSA-N 425.518 1.172 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1539230178 CGIZTZKSEZFQAE-GCJKJVERSA-N 444.557 1.275 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1539370791 ZSEZWNQYKNGEDD-KRWDZBQOSA-N 432.546 1.900 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1nnc2n1CCCCC2 1539416334 LZSZYMUMEGXTOC-SFHVURJKSA-N 427.553 1.819 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1539441042 JDHXVFXCJBXDEG-QFIPXVFZSA-N 435.620 1.974 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540870725 VEHFIGLHQUDHKU-WOJBJXKFSA-N 436.516 1.924 30 10 IDEE C=CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1543487408 SDYKLDFORXEGJS-NVXWUHKLSA-N 445.582 1.244 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)O1 1544722825 IIBDBBXGYUYMCM-TXPKVOOTSA-N 444.561 1.854 30 10 IDEE CCOC(=O)N1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1 1547794075 KLJBEKSUQYCFTQ-NRFANRHFSA-N 444.492 1.722 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C)(C#N)CC1 1554506872 GOEGJCACOSUYIH-UHFFFAOYSA-N 438.504 1.826 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NC(C)=O)CC2)n1Cc1ccc(C#N)o1 1555743298 SCMOJIHFFYNEQC-KXBFYZLASA-N 428.493 1.620 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H](N4CCOCC4)CC3)C2=O)cc1 1564547149 HQSAATCSLXVGNJ-PZJWPPBQSA-N 425.533 1.950 30 10 IDEE Cc1cc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ncc1C#N 1586673510 OZZKICQIZVDOCA-UHFFFAOYSA-N 442.520 1.692 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1587662398 NGACRRVXDKQYSF-PKOBYXMFSA-N 440.548 1.833 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588046105 XECYDVMTHFDKMX-UXHICEINSA-N 439.541 1.868 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1589069640 NBMFQVJBCKAEPP-HOTGVXAUSA-N 434.591 1.274 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1589197678 HZLJFHJMFNPYRR-OAQYLSRUSA-N 441.536 1.964 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1589663297 KOZKFUMOIWVYSC-KRWDZBQOSA-N 425.599 1.429 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(N)=O)CC1 1595516202 BICDQFXYYJAOLL-UHFFFAOYSA-N 426.477 1.068 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595577056 HWBGSUDRCCPCCQ-UXHICEINSA-N 441.532 1.852 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595577440 RYOHFYHPAAGILR-GOSISDBHSA-N 426.521 1.573 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)C1 1595682096 WQAGQYHVEABPCF-CVDCTZTESA-N 449.596 1.822 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595812420 SNERTUFBZTUVGB-DYESRHJHSA-N 447.561 1.249 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1596813926 QDJHJZPBLNZKDA-KGLIPLIRSA-N 434.522 1.426 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1611308328 OATSYJMIWVLERS-PMPSAXMXSA-N 431.518 1.759 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1611308697 SBTVXSFTBYIJJG-VGSWGCGISA-N 440.552 1.996 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1611634168 VFIWNOPLMLARJZ-WMLDXEAASA-N 444.561 1.601 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1612144354 FSPYBRRHQGPEES-KRWDZBQOSA-N 431.518 1.472 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H]1N1CCOCC1 1612910451 FEJGCASNHZHDNF-PXNSSMCTSA-N 437.548 1.452 30 10 IDEE CN(CCC1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1618208648 YLHMVBJFHTXKPU-MRXNPFEDSA-N 433.534 1.946 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c(OC)c1 1619271498 IASIAMGSPFGATM-KBPBESRZSA-N 436.538 1.550 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1619959320 QHTVGKPQIQFESA-GVDBMIGSSA-N 442.520 1.662 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCCN(C)C)[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1621639119 CPIXLEDRZMFFGR-KRWDZBQOSA-N 448.593 1.657 30 10 IDEE C#CCN(CC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)C(=O)OC(C)(C)C 1636579902 UXYQTVVVLSVHTK-PMACEKPBSA-N 440.544 1.572 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1F 1640516314 JTYHCCBHRXZQLL-UHFFFAOYSA-N 429.426 1.422 30 10 IDEE C#CCOCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1640917276 BLHZRNFREKNKEH-INIZCTEOSA-N 430.530 1.699 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCN=[S@](=O)(c2ccccc2)C(F)(F)F)C1=O 1643428196 BTMJWLKJKGDCRS-PMERELPUSA-N 446.407 1.126 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccccc2O)C(=O)OC)s1 1646070863 HKLOENDGCNSLBY-HNNXBMFYSA-N 438.527 1.361 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2C)CC1 1655707328 XSDRFIYMRSFSMR-UHFFFAOYSA-N 448.770 1.467 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1664407421 QBCNXILAJOGICM-MJGOQNOKSA-N 426.535 1.877 30 10 IDEE C#CCN(C(=O)Nc1ccc(C#N)cc1I)[C@@H]1CCS(=O)(=O)C1 1674845406 CMRDPHTUEYCXKY-GFCCVEGCSA-N 443.266 1.817 30 10 IDEE C=CCOCCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1684056079 IONBYHACVZEHDS-UHFFFAOYSA-N 426.495 1.423 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1689929767 DJRBUQBGRVFIJM-KRWDZBQOSA-N 447.586 1.618 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689979944 JNZFPLMPCWPTHT-JQQNFUDXSA-N 426.608 1.720 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCc1ccco1 1690004859 INXKAZNRXMSZSW-UHFFFAOYSA-N 433.468 1.945 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1snnc1C 1690043462 BZZFDEDCKZORPI-UHFFFAOYSA-N 444.524 1.863 30 10 IDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690157696 MWNTWCBNTTWQPH-APWZRJJASA-N 442.607 1.384 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690299598 YVLXSEDYBSNVTO-HZEGPAAWSA-N 446.596 1.567 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N2CCOCC2)CC1 1690380172 FNRNWNITUHUBBV-UHFFFAOYSA-N 430.534 1.285 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1697679683 LLZBUTORHQJYFY-VGVBMJIYSA-N 437.504 1.728 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705540344 VWQPTYYMMGLLJZ-QZTJIDSGSA-N 437.566 1.174 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705597243 ZIKLDDQAJFFTOI-IRXDYDNUSA-N 428.537 1.995 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1705693179 CMYSPFRAMDEVKP-HKUYNNGSSA-N 442.568 1.458 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705739702 NZDBCVUKUFLHPX-CVEARBPZSA-N 444.561 1.577 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705904337 MOEXWNCEOQJFIP-UHFFFAOYSA-N 440.548 1.837 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC1CC(F)C1 1705934263 GZCDNQGMUQWPAJ-UHFFFAOYSA-N 439.513 1.791 30 10 IDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1708264030 CXOVZGUVLFZHPA-IAGOWNOFSA-N 441.536 1.150 30 10 IDEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CCC1 1710322951 UIKCLGZYLOIENK-BBWFWOEESA-N 432.525 1.037 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)c(OC)c1 1722275844 GLLCMGDZVDERJP-CABCVRRESA-N 435.550 1.802 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2cn[nH]c2)c1 1722310071 SEXRFQCLKBNCGB-GOSISDBHSA-N 432.488 1.251 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1722382893 JYJMNSOOJRWXQG-IBGZPJMESA-N 442.541 1.478 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1722428096 RCNWFVQPUFQDQA-IYBDPMFKSA-N 444.540 1.312 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCSCC2)CC1 1722446166 PRNVECCDVKGCFR-UHFFFAOYSA-N 439.589 1.355 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722700620 NYQOSWNKQHUOHX-LJQANCHMSA-N 439.564 1.115 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2C)C1 1722720901 OPLRHLNDXZGHQH-CQSZACIVSA-N 428.522 1.228 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1723676394 JCNJOHRBJDJGDJ-NRFANRHFSA-N 428.493 1.533 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1730553737 PTVSGTXGRBDYAX-GOSISDBHSA-N 447.561 1.741 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(SC)CCOCC1 1730871817 BJEUTIHPOPWOFJ-HZPDHXFCSA-N 425.555 1.643 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740589434 YSKDCWFCBMUUCU-QGZVFWFLSA-N 438.536 1.548 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740885706 MLVRIXGVOXEIAG-MOPGFXCFSA-N 433.553 1.940 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740888166 QBTXBHREMJQDHI-QZTJIDSGSA-N 439.582 1.125 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOC1=O 1740897018 QRPLHPXSCGQCEJ-UHFFFAOYSA-N 433.538 1.703 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740957985 GLIAPXCXNWVGNB-GOSISDBHSA-N 440.552 1.555 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)cc1 1740965633 DAAUGRJZXYBBEV-IBGZPJMESA-N 438.532 1.934 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)c1 1742357406 IOBFNNHUABRAJM-IBGZPJMESA-N 436.513 1.547 30 10 IDEE CCOCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1747096249 VKSQYYPJORSUKF-FQEVSTJZSA-N 427.465 1.142 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCCO)CC2=O)cn1 1748017794 GBRQBKALJRJXAG-UHFFFAOYSA-N 448.531 1.956 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1748698363 GNTVOKPTORCOAK-ABSDTBQOSA-N 439.582 1.466 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(O)CC2)CC1 1748991408 WDRISZZFMJBXNE-SFHVURJKSA-N 444.580 1.673 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCNC(=O)C2CC2)CC1 1749009624 DEFMUSZNPKUDDP-UHFFFAOYSA-N 434.544 1.746 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1749577450 MZLZREBXCNBXOA-XMSQKQJNSA-N 440.504 1.059 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749655453 LFTANGSYTIWUSO-HNNXBMFYSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749671171 ZRHROUJMQORLHC-GOSISDBHSA-N 448.531 1.120 30 10 IDEE C[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)COCCO1 1751300835 BSUKQRHHYKWETB-OAQYLSRUSA-N 425.493 1.861 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1760097349 DBHFGFLAAFGTAQ-CVEARBPZSA-N 427.534 1.580 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCOC1 1760121365 VBQRNACKCQBTPO-HYBUGGRVSA-N 438.576 1.252 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760190925 WVKKALRSMKJRQX-HXUWFJFHSA-N 440.573 1.153 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(OC)CCOC1 1760243462 LDDCAVWOMYLBCS-QHCPKHFHSA-N 441.507 1.985 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)NC)CC1 1760267995 JILXVTMRYDUYLL-UHFFFAOYSA-N 428.924 1.700 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)F)CC1 1760279349 ABQQQCDAOXZMQS-UHFFFAOYSA-N 438.504 1.759 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(=O)NC 1760279406 CFGAJENYOYABTE-UHFFFAOYSA-N 425.518 1.533 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)CC1 1760353437 RTKCAEIWGZNCCF-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760425829 WFVXCEIWSZUZAG-SJORKVTESA-N 438.598 1.693 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1760544060 VEWAEYYAIANKMB-ZWKOTPCHSA-N 446.577 1.859 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CC[C@H]1C2 1760557345 ILGZGVCCQVVYRP-GJZGRUSLSA-N 435.575 1.859 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1764187257 HHNLTOPHYHCBHC-IBGZPJMESA-N 439.520 1.932 30 10 IDEE CC[C@@H](Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1764216376 SVNFOUFEBZPBPY-YOEHRIQHSA-N 430.509 1.962 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@@H]1N1CCOCC1 1765249519 SSPCUNZRBCCOIG-ICSRJNTNSA-N 437.548 1.452 30 10 IDEE CCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766596491 JPYBXASFINLSKR-UHFFFAOYSA-N 435.536 1.770 30 10 IDEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1769714679 UYZZIQCWGQOHAS-MRXNPFEDSA-N 447.565 1.123 30 10 IDEE COCCN(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1769782931 FEBGYVJKLJMXLJ-VQIMIIECSA-N 432.500 1.864 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1cc(C)cn1 1770045050 WZWJOBSIFJETRP-IEBWSBKVSA-N 428.541 1.384 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1770317861 XNAFZVJQCDIBAU-GOSISDBHSA-N 433.534 1.229 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770805475 YDGPOTQONVDNLC-BFYDXBDKSA-N 430.488 1.491 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770911575 AOJWBQPVWCYNMI-YLEKHRKWSA-N 430.509 1.519 30 10 IDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1854047095 AGWMYTLGNIJJSD-PMACEKPBSA-N 431.558 1.906 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(F)c(F)c(OC)c2F)C1=O 1854176548 XUKQFPFHOKQJCP-KBPBESRZSA-N 425.407 1.572 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc4ccccc34)C2)CC1=O 1856804729 DWIRTKDSYINOHS-SJORKVTESA-N 430.482 1.722 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1 1867646635 SIISIKOVVRDZQR-SCLBCKFNSA-N 448.435 1.175 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)COCc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004832 NARGNBFLXVSKLW-SFHVURJKSA-N 445.545 1.971 30 10 IDEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(C(C)=O)CC3)ncnc2n1CCCOC 1873557895 ZRHCFRGKJXAVLH-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562754 RDQJEPWRGHVVTI-UHFFFAOYSA-N 446.559 1.727 30 10 IDEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)cn2)cc1 1891589991 GWVQZLJSLJUUCL-SFHVURJKSA-N 446.467 1.651 30 10 IDEE CCN=c1nc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(Br)c[nH]1 1914902347 YJRZLGNGBPFFPJ-HNNXBMFYSA-N 429.322 1.943 30 10 IDEE N#Cc1c(I)ccc([C@@H](O)C(=O)O)c1I 2060281633 RCKLQORAPFLFJK-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE CC1(C)OB(c2nc(=NC(=O)CCNC(=O)OCc3ccccc3)s[nH]2)OC1(C)C 2241575528 JEGXRIYZLCUIFL-UHFFFAOYSA-N 432.311 1.514 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2243416752 MPEUNFXEVRFDSD-FICVDOATSA-N 428.360 1.959 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CCCO)Cc2ccccc2)n1 2247901204 GWRYMKPJVDAKRH-UHFFFAOYSA-N 435.355 1.293 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406190 ZLRYOAHYVRDDST-MNOVXSKESA-N 442.322 1.545 30 10 IDEE Cn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255828911 YVUQEACIZVHZAM-CFVMTHIKSA-N 432.330 1.457 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255833143 XUVCKZTUZLDLKE-GZBFAFLISA-N 432.330 1.694 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)C(C)(C)CO)n1 2255943441 SRMQYCMMDOTLCL-UHFFFAOYSA-N 449.382 1.681 30 10 IDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC(NC(=O)OC(C)(C)C)C1 2256070216 VTNAHSHWCROWEC-UHFFFAOYSA-N 432.330 1.904 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267092495 WEDXLCFTZCBXKE-MDZLAQPJSA-N 444.263 1.627 30 10 IDEE CCc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267148070 WCTAJDTULIDPBO-UHFFFAOYSA-N 448.373 1.975 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267189185 WVMRMCRITHJGOV-QDMKHBRRSA-N 446.357 1.562 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 2267267560 XOJMUSWAWYYVOI-NRFANRHFSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267278312 AXWIKWJIFIMVBV-HOTGVXAUSA-N 447.341 1.793 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492831 DNCLRKSNPSDNFQ-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322307213 VLJUYWSOXIDDAV-LBPRGKRZSA-N 437.277 1.939 30 10 IDEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1NC(=O)C(F)(F)F 2337194301 KPOHRZDREVTWNM-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1 10792780 DAERSTCSCCEKEN-UHFFFAOYSA-N 427.482 1.944 30 10 IDEE C#CCn1c(=NC(=O)c2ccc(OC)cc2OC)sc2cc(S(N)(=O)=O)ccc21 254310141 KXQNEQAAMVOLBZ-UHFFFAOYSA-N 431.495 1.742 30 10 IDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O 257416179 FKKSXNLVJJDMAR-GDMFPHMXSA-N 448.512 1.517 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)CCO1 409492340 DELQDFXEYLLDKO-HUUCEWRRSA-N 425.511 1.529 30 10 IDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccccc2Cn2ccnc2)c1C#N 438230843 MURITQOQBXJOBX-UHFFFAOYSA-N 441.517 1.406 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1 440377423 IOKZTRUGKQSNTD-GOSISDBHSA-N 441.553 1.263 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cn2c3c(c4ccccc42)CN(C(C)C)CC3)CC1 443918699 SQMMEDDHMXUKNY-UHFFFAOYSA-N 437.588 1.854 30 10 IDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)cc1 476307631 OGLZZBLCJHZMJZ-UHFFFAOYSA-N 435.527 1.700 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNS(=O)(=O)CC3(C#N)CCC3)cc2)CC1 477531516 XZCJZUDGYDHRJY-UHFFFAOYSA-N 448.589 1.385 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 479048084 URCHGGDCFCADAT-CRAIPNDOSA-N 437.479 1.509 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@@H]1CCCO1 486824324 YRZBWSQLIAOZDX-ZDUSSCGKSA-N 449.454 1.288 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 487181128 OAELHUJJAGCHDY-FQEVSTJZSA-N 429.484 1.458 30 10 IDEE COc1c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc(Br)c(C)c1[N+](=O)[O-] 493279866 JXRYCYOLUSNNBX-AWEZNQCLSA-N 434.268 1.978 30 10 IDEE N#Cc1c(CCCNC(=O)NCCCCN2CCOCC2)nn(-c2ccccc2)c1N 502877334 NBHVEAJBOZONNE-UHFFFAOYSA-N 425.537 1.670 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)CC1 504562701 DYUDQLIUPHUHGR-UHFFFAOYSA-N 449.492 1.460 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC[C@@H]3CN3CCOCC3)C2=O)cc1 508642620 XLNAFSLLQJADNX-NHCUHLMSSA-N 425.533 1.950 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@H]1CCCO1 514492213 HOQQSMCCXCEHOT-SJLPKXTDSA-N 441.553 1.051 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccon1 531938441 DZSINVNEAJLBAC-UHFFFAOYSA-N 433.489 1.753 30 10 IDEE COCCn1nc(C)c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 536799418 BDJXXHWYLWNRPW-UHFFFAOYSA-N 446.533 1.556 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2CN2CCOCC2)CC1 538266758 KKWFZLYCAJMAGU-DHIUTWEWSA-N 443.567 1.721 30 10 IDEE C=CCNC(=O)CNC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 540754946 DAGQSEWQXPMUHW-UHFFFAOYSA-N 427.427 1.273 30 10 IDEE N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 541669385 KKNNILAEKAAOTM-HXUWFJFHSA-N 434.496 1.813 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(CN4CCC[C@H]4C(N)=O)c3)CC2)n1 544881322 FFCUXUKPMSHGJK-FQEVSTJZSA-N 433.516 1.757 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)C2=O)cc1 549190975 SWVOUAZGLSOPMK-AABGKKOBSA-N 426.517 1.526 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2Cc2cccs2)CC1 555442828 YTURSHFZIXLRET-UHFFFAOYSA-N 425.562 1.818 30 10 IDEE CCCN(CCC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609200088 ITEVAVGHOQIQQE-UHFFFAOYSA-N 434.562 1.820 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 610596428 BKSRJFRFWWAUPN-OPAMFIHVSA-N 425.489 1.832 30 10 IDEE N#C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CCN1C1CC1 732648376 UDGVWPZXJSNVLK-AWEZNQCLSA-N 426.589 1.298 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 739837889 LDICUVISYUNWCU-UHFFFAOYSA-N 441.517 1.694 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 746100697 MCHWOJVTFBVLNX-QZQOTICOSA-N 432.908 1.780 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 780180047 NRRCUPXVODKGEF-NRFANRHFSA-N 449.529 1.837 30 10 IDEE CCOc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)cc1 786683711 TWHBBUJVFDGAGK-MRXNPFEDSA-N 439.559 1.588 30 10 IDEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807933883 ARUGMSRIRPZBBA-GOSISDBHSA-N 443.577 1.577 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)c(O)c3)n2)o1 1084027802 CHILVTGVUDDLNV-UHFFFAOYSA-N 432.466 1.319 30 10 IDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3ccccc3[N+](=O)[O-])n2N)n1 1084390701 BPDJUOZTJOJFCO-UHFFFAOYSA-N 433.479 1.842 30 10 IDEE C=CCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1124965765 GAAZPCAOTRGATG-UHFFFAOYSA-N 429.498 1.553 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnn(C[C@@H](O)CO)c2)cc1 1141967126 QPCBRPCTGYUTJG-XKAFOEQXSA-N 449.533 1.082 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)C1 1154958120 AGXKNCLYAGKFAH-IRXDYDNUSA-N 439.603 1.501 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 1177602075 GDSQSTOWGZGMEU-WMZOPIPTSA-N 435.546 1.707 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1195946992 PKLSEXIHQWQHCX-IJEWVQPXSA-N 448.486 1.848 30 10 IDEE N#Cc1csc(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1 1251295236 BJGIZEQKIBDWTE-UHFFFAOYSA-N 449.543 1.236 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1286353206 SFURNDFZKVFJTO-HOTGVXAUSA-N 432.525 1.312 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1286353896 BYWCGFYXQUCBHG-UHFFFAOYSA-N 427.534 1.012 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1286391634 FFODOHAOTDOBJF-HUUCEWRRSA-N 432.493 1.776 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286394425 OLQURLHWGRYKLJ-GOSISDBHSA-N 447.536 1.113 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NCCC 1286409035 NUCZQBFAKSVHGB-UHFFFAOYSA-N 445.527 1.664 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1286422550 LZUZRWYYNZZSPI-HSZRJFAPSA-N 429.565 1.240 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1286455522 FOPIUKWTRJFFCY-GCJKJVERSA-N 427.480 1.814 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C)C1=O 1286460204 BDFPFMROEDRELS-QHCPKHFHSA-N 438.507 1.658 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C)c2)CC1 1286485275 HSAGLBAJJDHQRO-UHFFFAOYSA-N 436.560 1.933 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286504163 IYRGVYWFJNRHSL-CHWSQXEVSA-N 444.483 1.100 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1286781229 PNBFBXJIQFGUOW-LJQANCHMSA-N 440.548 1.859 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286817678 WDPMEKIQMZGUPG-GOSISDBHSA-N 443.529 1.807 30 10 IDEE COc1ccc(CCN2C[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)cc1OC 1289362001 MQYOZPSAJAGUSX-GOSISDBHSA-N 442.512 1.959 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1=O 1300398563 GRAVIHUEFAERFD-FDDCHVKYSA-N 436.468 1.526 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C(N)=O)nc1 1300506409 SEDOIWYHNINOIK-UHFFFAOYSA-N 441.495 1.762 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1300683939 UJSHDMXDQJSAGP-MXBUBSDBSA-N 431.581 1.699 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300872634 BUQOHHJYEOERLJ-ZCNNSNEGSA-N 436.516 1.749 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)CC)C1 1301565059 CNDBVWUIXSTFCC-OAHLLOKOSA-N 432.550 1.529 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301586416 SLIYHSZMBGICAP-KRWDZBQOSA-N 437.610 1.836 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3C[C@@](CO)(c4ccccc4)C3)C2=O)cc1 1303962739 JGWZFGUKVUWJTD-VAXXYWNWSA-N 432.480 1.972 30 10 IDEE O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892145 AGXSSAXTPARPLU-UHFFFAOYSA-N 436.399 1.889 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 1307649222 AMHJSDDSISAYPM-UHFFFAOYSA-N 448.589 1.565 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1308143134 RIJUNZVZMZDQSU-HZPDHXFCSA-N 436.477 1.773 30 10 IDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1313798708 BXCLKCHGCTVSOV-GOSISDBHSA-N 443.533 1.217 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CCO1 1315006736 HAJKEVDMNLEMJI-IBGZPJMESA-N 446.515 1.277 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1315733221 ARUDUEIBFHHHAD-VNTMZGSJSA-N 427.505 1.718 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1315822820 COVHXTYQWJUDIF-SZVBFZGTSA-N 433.484 1.953 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCSCCCO)c1 1316529017 LNKDQFRHNMFVBL-OAQYLSRUSA-N 426.546 1.791 30 10 IDEE C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCCCC2 1321818200 KXYGFRURJIOORQ-YOEHRIQHSA-N 435.488 1.959 30 10 IDEE Cn1cc(O)c(=O)cc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1334154841 GRNXPWGUDLUIFX-UHFFFAOYSA-N 432.502 1.006 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1ccco1 1358974231 WBGYIXKZCZOGFC-UHFFFAOYSA-N 441.455 1.017 30 10 IDEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359062115 WIAUBCRFOKOLLJ-UWJYYQICSA-N 435.594 1.742 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)CC1 1359164961 DIQLNXJDQMPMPE-INIZCTEOSA-N 434.541 1.831 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1359322629 ZJYTXTIXCMYWLS-WBVHZDCISA-N 437.566 1.020 30 10 IDEE CCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(N)c1 1448852953 YANWNUJZFPVPDS-IBGZPJMESA-N 426.498 1.465 30 10 IDEE C#Cc1cccc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1451442646 RHSYCJCNSWUBFW-CEXWTWQISA-N 432.542 1.954 30 10 IDEE CCc1ccc(C#CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1463940457 NRCQVPLSBDZCIV-UHFFFAOYSA-N 440.521 1.905 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)cc1 1471110176 LVNIXYQZTTUTLI-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)C1 1505035375 OQXOPNBRZWKALS-FQEVSTJZSA-N 437.504 1.752 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)O 1505083940 PVXWNZLCSDXIPL-HKUYNNGSSA-N 441.536 1.366 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)C1 1505314500 FFDQFOOIPSTPPF-ZBEGNZNMSA-N 429.428 1.262 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2F)nnc1N1CCCOCC1 1505350670 HTEUHQYVNIRBDU-ZZEZOPTASA-N 426.452 1.837 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCn2ccnn2)c1 1507549957 RFSFJNNRESYXBT-UHFFFAOYSA-N 442.487 1.473 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1507634433 KITVLPWWOPXXEM-SFHVURJKSA-N 429.546 1.699 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCC(C)C)CC1 1507738540 QZNGXJXTPKGPHJ-GOSISDBHSA-N 430.553 1.258 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1507753380 MLMXVQAKWCMRIW-UHFFFAOYSA-N 449.584 1.965 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1)C1CC1 1507988544 UHCYJTIZQSRKGI-GOEBONIOSA-N 433.534 1.883 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1508015177 MILJMMYNBWJPGH-OAQYLSRUSA-N 431.562 1.594 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508084162 JFGKHLUSWVTJDY-INIZCTEOSA-N 442.545 1.276 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1508146975 GBRGIXZSMLTDQN-MOPGFXCFSA-N 448.637 1.980 30 10 IDEE CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1516835783 DTSLFXUFJLDTEY-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C(F)(F)F)cs2)CCO1 1521128939 HMYPIHOLBNKFMJ-GHMZBOCLSA-N 441.439 1.676 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)C1=O 1531926024 XCRPBFXBNXQRFN-MRXNPFEDSA-N 438.488 1.717 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C3)C1=O 1532809327 AXWLFECNWKXBIA-ZNMIVQPWSA-N 434.493 1.115 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1533747020 UHVOULIDGJTJSA-MRXNPFEDSA-N 444.937 1.989 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CCCCC1 1539026481 VKJUZYSOCDTWPM-IBGZPJMESA-N 428.581 1.894 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1539219253 BPKYOQOPKSNOPY-MSOLQXFVSA-N 432.550 1.433 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539225023 LHJHBXGWSRZQHD-KRWDZBQOSA-N 445.574 1.042 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539230135 KNOVKBKFYXIHPV-QUCCMNQESA-N 430.574 1.973 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(S(C)(=O)=O)cc1 1539284275 KZBPVUQDRGCECK-ICSRJNTNSA-N 442.541 1.527 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1539538709 MBKNNVXHINUSFG-IIBYNOLFSA-N 444.561 1.909 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539963606 YUJNGMMKAGPFOY-IRXDYDNUSA-N 440.552 1.983 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H](C(F)F)N1CCOCC1 1540068912 FTQBMBNYKGUXAL-OAHLLOKOSA-N 438.479 1.984 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540899956 GBYKKLSQBZUBSS-SFHVURJKSA-N 429.546 1.747 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1541116125 JZPCLLMMAOGLPT-RBSFLKMASA-N 440.570 1.689 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1545989761 KEOFWMVMCOZAFW-KZNAEPCWSA-N 440.552 1.974 30 10 IDEE CCOc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1547940666 BYHOFJXQKIUSAE-HOTGVXAUSA-N 426.477 1.414 30 10 IDEE Cn1ccnc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548371057 JFXYWVKAXRGRNP-KRWDZBQOSA-N 446.433 1.920 30 10 IDEE COCC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555426853 NSEGWXHQJGMDKY-AVRDEDQJSA-N 442.520 1.842 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1558329370 OLEVLBQDARDMQK-SJORKVTESA-N 434.518 1.209 30 10 IDEE C=CCn1ncc2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cc21 1558615529 VOJOATPWJVWOHT-UHFFFAOYSA-N 441.513 1.959 30 10 IDEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1564530498 DGSTWRXFHCBAHQ-HZSPNIEDSA-N 435.554 1.752 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1587638989 IQAYRUYKHVVOSR-WBVHZDCISA-N 434.541 1.571 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1587898150 ILWHESNQDXPPRE-FQEVSTJZSA-N 435.576 1.794 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588045904 TUFUZOVDGOKJPB-FGTMMUONSA-N 429.546 1.518 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588055232 UFBKVAMHYHZQBX-QUCCMNQESA-N 443.573 1.545 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1588094260 WTEDXNBVQSBZJY-UHFFFAOYSA-N 429.257 1.491 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1588138415 CHPUBKNQWPPKBP-QGZVFWFLSA-N 449.577 1.558 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1588244309 FPPFPBJPFATQKQ-DOTOQJQBSA-N 445.951 1.623 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1588975900 MPKNFQAIZHWNCG-UHFFFAOYSA-N 428.518 1.681 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CC(F)(F)C2)CC1 1594097331 RACQIMMNWTXLFD-OAHLLOKOSA-N 431.509 1.813 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1594813159 PQCGMRVNIVNHOB-IBGZPJMESA-N 432.569 1.119 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595555807 HOXCSQJNTACKIO-OAQYLSRUSA-N 438.576 1.781 30 10 IDEE CC(=O)NCC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1596616990 LCAUAIVNTPVTJT-UHFFFAOYSA-N 425.493 1.266 30 10 IDEE CC(C)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1608146706 SIDFUXGDRMHWTC-VXPUYCOJSA-N 429.569 1.924 30 10 IDEE COc1ccc([C@H](CO)CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1611433439 HFDRUMMYGIOVKX-HOCLYGCPSA-N 431.514 1.405 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCCCC1 1611711779 TYSYFAIVFJDETH-DOTOQJQBSA-N 440.570 1.356 30 10 IDEE C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@H]12 1616175041 LEUXAFIXWHVGAU-LEOABGAYSA-N 429.464 1.523 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1617868736 IECAKXUZERJYRK-SFHVURJKSA-N 430.472 1.836 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 1620054259 GQOCTYIWOKEYHL-NQIIRXRSSA-N 440.548 1.779 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)CCN1C1CC1 1620357087 QXYXPNQYQIUMCW-OAHLLOKOSA-N 441.458 1.504 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 1623867860 WERFLQYEXNFHBR-FCHUYYIVSA-N 426.561 1.793 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)C(=O)OC 1626184667 WXEOIKFXZBVWQL-ZOBUZTSGSA-N 436.530 1.657 30 10 IDEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626655746 KQIXWHUPSKLSHE-JMERFSKESA-N 432.527 1.354 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 1628547091 SBGHUKRGLYPTGA-IBGZPJMESA-N 434.581 1.696 30 10 IDEE Cn1cc([C@@H]2[C@@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC(=O)N2C(C)(C)C)cn1 1629308512 BPRGHDOKWGZYGX-IPMMTQAJSA-N 442.520 1.141 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nnc(C)s3)CC2)s1 1635307530 GEWGIXZHCWHHRD-UHFFFAOYSA-N 427.577 1.264 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCO2)O1 1637434659 KBYJDNYVYRDPPZ-WBAXXEDZSA-N 433.892 1.943 30 10 IDEE C=C[C@H](C)ONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1640635439 QWWCQADCQAOBOK-HNNXBMFYSA-N 436.534 1.632 30 10 IDEE N#Cc1cn(CC(=O)NCc2cc(Cl)ccc2I)c(=O)nc1O 1641357598 UHQMANCXOGSLRC-UHFFFAOYSA-N 444.616 1.395 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 1642997623 IJJNNTRCQMIWDY-UHFFFAOYSA-N 442.520 1.639 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c1 1648259554 PUVGSYGZEWHAQE-MISYRCLQSA-N 426.517 1.448 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689979412 AIMCLQHDVYOYFO-KRWDZBQOSA-N 448.545 1.677 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1690019494 KDDMBSCPTPCGQN-LJQANCHMSA-N 445.520 1.066 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(C)=O)nc1 1690025500 SSWITZICHMURQD-UHFFFAOYSA-N 447.524 1.744 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC)CC1 1690238634 LVVDWCNXLDVQDL-BZSNNMDCSA-N 437.541 1.872 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690465395 ZHDFKIOBXZAUCS-APWZRJJASA-N 442.607 1.552 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690506693 YDPGILWMWVNTRE-GOSISDBHSA-N 439.520 1.699 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1690595249 RSDNWGSRUHKQJH-VQIMIIECSA-N 425.624 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)S[C@@H](C)C1 1690714823 VZHVEKKRLIDKND-GJZGRUSLSA-N 427.596 1.445 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1690816424 HWTXMWQUSYCOKU-SFHVURJKSA-N 437.548 1.596 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccn1 1696824536 CRHIUIIQOHQHDI-UHFFFAOYSA-N 425.518 1.440 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)OC)c1 1698170292 KLSITOAEXSAMMS-YJBOKZPZSA-N 444.492 1.957 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1698483956 MBUNFKABLNYOBF-IIBYNOLFSA-N 428.468 1.526 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698493191 PBNNTXJZGIFEGH-ICSRJNTNSA-N 449.490 1.476 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705517561 YCRJSYRZPFCOPH-XUVXKRRUSA-N 449.621 1.531 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCN1CCCS1(=O)=O 1705623017 CSRFFDIIMYNAGD-UHFFFAOYSA-N 433.534 1.075 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCC(C)(C)O)CC1 1705634473 XNYYGSKBYZDHRL-UHFFFAOYSA-N 443.548 1.887 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705907509 OYMQPWBCRMPXQI-UHFFFAOYSA-N 437.548 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1705933235 YSZGHJBJMMPIOT-INIZCTEOSA-N 447.536 1.886 30 10 IDEE Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1707912528 XDQDLXPPKDJOCX-SJLPKXTDSA-N 425.537 1.916 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1710825181 HLIQBVCNJKGJBR-JOCHJYFZSA-N 437.504 1.668 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1712525619 PNGXKVXOBCSJBP-GOSISDBHSA-N 447.584 1.296 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)C1 1712874904 FRZKTIHCLVKTOL-JOCHJYFZSA-N 439.495 1.663 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CC1 1712882206 BBSLVDQYMYBSMD-SFHVURJKSA-N 442.545 1.833 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1712886369 QSBOQBLDRVFWFA-RBUKOAKNSA-N 445.545 1.863 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1722384434 QKCHDTSKSKQWSW-IBGZPJMESA-N 426.498 1.464 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC[C@H]1C 1722425233 RLCYEMYHTCUUTK-HXUWFJFHSA-N 449.559 1.938 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722603240 HGLAPNAUMPCWSO-HZPDHXFCSA-N 445.611 1.055 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722620482 NLXWEVJRFJEGDT-UHFFFAOYSA-N 437.504 1.642 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1722705195 CBHWGBPOEDOEPF-UHFFFAOYSA-N 431.468 1.688 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1722738573 LQSVAAUQPGPRMY-HUUCEWRRSA-N 447.652 1.472 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1723875761 CGOSWPRJTITCNE-QZTJIDSGSA-N 437.548 1.452 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c(OC)c1 1730151366 BCQVHQJEXAUPIR-KGLIPLIRSA-N 436.538 1.692 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1740571287 LXGFIPFTFYJQGW-QGZVFWFLSA-N 436.516 1.847 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1740623717 ZOIBBAMDZUAPIA-CVEARBPZSA-N 437.566 1.061 30 10 IDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1740667695 NLLKPUKINBTDTD-UHFFFAOYSA-N 429.546 1.958 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1COc2ccccc2O1 1740680171 TUHLAHGMVUTGPY-WZONZLPQSA-N 442.516 1.856 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NCc2ccco2)CC1 1740698443 GDDKNOKQZPWLHU-UHFFFAOYSA-N 432.528 1.728 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1740758123 ULPSXBMBKDKQSD-XLIONFOSSA-N 428.537 1.560 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CCC(N)=O)CC1 1740763926 RPXVSVDJFNQDNM-PGRDOPGGSA-N 444.580 1.864 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1740918826 VJFKSJBCWZOCTJ-SFHVURJKSA-N 431.562 1.897 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1740956407 LJXIUUDRYZGYBR-CYBMUJFWSA-N 433.896 1.909 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740965372 ICDRQUCKNQNVOK-QKLQHJQFSA-N 442.520 1.357 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(CS(C)(=O)=O)CC2)C1 1740983248 FDCOGHUYQGBVBS-INIZCTEOSA-N 437.566 1.007 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCc2ccco2)CCOC1 1741713174 FRIVKMOUDCOLQE-IIBYNOLFSA-N 430.509 1.966 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(C)(=O)=O)C1 1741986046 XNWCEFDKQWKTMV-FQEVSTJZSA-N 446.533 1.743 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@]2(CCOC2)O1 1743244795 KFUIFPADYCKVNG-VGSWGCGISA-N 427.505 1.600 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1747858943 GAMHUDOYWBIZLV-WXVFVKJXSA-N 447.499 1.816 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1748664950 LGLFRVQQBXBCIZ-MRXNPFEDSA-N 431.500 1.370 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1748764063 GXSBDXSDNCNMAZ-XXBNENTESA-N 444.580 1.086 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1748802408 PNBPRSAYEZCVSE-BRWVUGGUSA-N 442.545 1.913 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCNC(=O)C(C)C 1748946677 OBIBTUZTESPBSK-UHFFFAOYSA-N 440.523 1.952 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC=C 1749067553 UHHXWDKYIIMXSR-HSZRJFAPSA-N 434.548 1.746 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1749159141 PPJPHVJIUQCPBX-RTBURBONSA-N 439.626 1.939 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749220296 DEDTZACCRUGAPJ-JOCHJYFZSA-N 439.520 1.747 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCNC(=O)C1 1749658380 ONAWORXKCPKDOM-UHFFFAOYSA-N 436.472 1.356 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)(C(N)=O)C1 1749727432 UMDXIGUTCZNHAF-SFHVURJKSA-N 438.941 1.296 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1csc(CC)n1 1749732072 OTDJUZLIFRQGCD-AWEZNQCLSA-N 438.579 1.485 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1Cc1ccc(C#N)o1 1750449293 IQKXRQZLTLHUBY-UHFFFAOYSA-N 434.504 1.909 30 10 IDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1750752125 RMOAGUPICJMBIE-LEWJYISDSA-N 429.613 1.890 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)n1 1751623161 GCLCAPKUWKDZKW-FUHWJXTLSA-N 447.490 1.733 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760136119 CLFIYLRBIZCEBC-VQTJNVASSA-N 427.597 1.637 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1760215215 RTHFWEKDTJPCEG-UHFFFAOYSA-N 426.908 1.739 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760272682 RWEHQGCZVQWSDE-JOCHJYFZSA-N 448.637 1.864 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F 1760464776 OXDCCULXTACSCE-LBPRGKRZSA-N 443.517 1.529 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2csc(C)n2)CC1 1760523305 SVNBHUPZUVGZJU-UHFFFAOYSA-N 438.561 1.729 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1760552308 KABIEZLNDAAUSN-UHFFFAOYSA-N 440.529 1.676 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1760695333 FYECPJHLZFDJBE-QLFBSQMISA-N 446.524 1.642 30 10 IDEE CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760946792 SJLIESOJTMWKML-VQYLBFNNSA-N 441.536 1.628 30 10 IDEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1761751768 ZWZCTPUTOZOESA-TXSJJRPESA-N 425.424 1.815 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1762702677 YOJVHYMLMWACEK-QFBILLFUSA-N 440.504 1.201 30 10 IDEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1765845326 PSHUTVXPAGSPFS-GOSISDBHSA-N 448.535 1.521 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1766739759 MCTMKWNSBGXWLB-UGDMGKLASA-N 442.589 1.886 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCO[C@@H]1C 1767934516 GNUMAEUJDLHNRE-OPAMFIHVSA-N 444.511 1.692 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1768540306 PLILWMPSVXMLJP-OALUTQOASA-N 445.545 1.636 30 10 IDEE CO[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1769595072 IZJRKEKNDOWAOG-QWHCGFSZSA-N 439.398 1.622 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1Cc1ccc(C#N)o1 1770065552 YYTUHTPGGGPGDM-RLFYNMQTSA-N 428.493 1.572 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1770137117 HOYXMOIAKDXKMC-OALUTQOASA-N 438.532 1.715 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)F)C1 1770730681 CNRGEFZHIZQSGO-SFHVURJKSA-N 426.374 1.819 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOCCc2ccccc2)CCO1 1770746716 CCYDTKKFSMARTJ-UXHICEINSA-N 438.532 1.997 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1771201082 XMBZTWYDXPNYNG-HLIPFELVSA-N 439.582 1.957 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)ON2C(=O)c3ccccc3C2=O)C1 1772791167 NHJSVETWOMMVHV-GFCCVEGCSA-N 438.458 1.165 30 10 IDEE N#Cc1ccnc(OCC2CCN(C(=O)Cn3nc(-c4ccncc4)ccc3=O)CC2)c1 1849384406 KQOFYPLRLKPQKJ-UHFFFAOYSA-N 430.468 1.890 30 10 IDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N2CCOCC2)cc1 1852838712 NKMRZKOJRMYWDQ-IBGZPJMESA-N 433.917 1.960 30 10 IDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)CC1 1856157166 XURYFNCWQJCRJU-KRWDZBQOSA-N 435.521 1.990 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993457216 PECFDBDFUFXFPC-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H]2CCO[C@]2(CNC(=O)OC(C)(C)C)C1 2006512760 REZPOECOXRKRCM-IUODEOHRSA-N 425.345 1.840 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608769 PAXDGCWXASVBBV-DOTOQJQBSA-N 425.342 1.365 30 10 IDEE CCc1nn(C)c(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255627209 PMDOZUQVAMPLJK-CYBMUJFWSA-N 436.362 1.925 30 10 IDEE CCc1nn(C)c(C(=O)N(CC(N)=O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255630322 IMCTUWIHEBNXCS-UHFFFAOYSA-N 426.326 1.409 30 10 IDEE Cc1c(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255632637 PIBJISOKHVEODF-UHFFFAOYSA-N 434.346 1.767 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1 2255680331 QMBHZIJTFHEFRD-QGZVFWFLSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256018148 KNYACTJMSJFXFS-AWEZNQCLSA-N 436.314 1.307 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256620118 FECXCJNMLJMUCD-HUUCEWRRSA-N 433.314 1.690 30 10 IDEE COCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267175558 NOLCJBHYTOYDOL-UHFFFAOYSA-N 448.329 1.142 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2267460663 MIFGTHYMYQKPPT-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2303214126 HMBUPBSLNJVRJG-MRXNPFEDSA-N 440.541 1.967 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)CC1=O 2329013377 FYFXCCVXHGLAAP-AWEZNQCLSA-N 444.517 1.233 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC[C@@H](C(=O)OCC)C3)cc2C1=O 16281193 HXVZXYPFELJHES-OAHLLOKOSA-N 428.441 1.427 30 10 IDEE N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccccc2C#N)c1=O 113711870 KVIRZRAVCGZEMX-JOCHJYFZSA-N 440.507 1.777 30 10 IDEE in-vitro Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@@H]2CCCO2)cc1 462431312 WJYUYERTEHYYGP-SFHVURJKSA-N 434.521 1.517 30 10 IDEE C=CCN1CC[C@H](N(C)c2cc(C)nc([C@H](C)N(C)[C@H]3CCN(CC=C)C3=O)n2)C1=O 500008436 BITCXEJCLWCGPN-FHWLQOOXSA-N 426.565 1.788 30 10 IDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508490956 RRUBVRUYGJRHDY-HSZRJFAPSA-N 433.516 1.967 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 508915725 YQLWJMAUDJZDEH-QAPCUYQASA-N 449.533 1.073 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cs1 515665364 VATMEWLKBKIZEN-UHFFFAOYSA-N 433.518 1.317 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccccc1 531370677 TZGBVOKPSVCWFA-UHFFFAOYSA-N 434.546 1.921 30 10 IDEE COc1cccc(N2CCC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)c1 564474170 QKSLQTIMIBHCHP-KRWDZBQOSA-N 428.514 1.630 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)NCCc3ccccc3)cc21 586355867 LPGATYFUOLLMDN-HKBQPEDESA-N 440.521 1.888 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1C[C@H]1CCCO1 603989879 LNTSXMWUZZWDNQ-GOSISDBHSA-N 439.537 1.293 30 10 IDEE CN1CCCC[C@H]1CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 730562979 OTOGXVIEUNXGGL-SFHVURJKSA-N 447.605 1.134 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCc3cccnc3)c2=O)cn1 735069652 XMGCCINSRWMNAX-UHFFFAOYSA-N 435.553 1.882 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)n(-c2ccccc2)c1C 735945040 PZWXZPFPVZOPFV-UHFFFAOYSA-N 437.456 1.778 30 10 IDEE COCCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)c1 748063888 DBNOYCITLLESIU-UHFFFAOYSA-N 442.537 1.454 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2(C)CC2)C1=O 751924054 LVRKPYJXVUWNJM-MRXNPFEDSA-N 431.562 1.585 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cscn2)cn1 767866291 RHMXXRODBLYTDC-INIZCTEOSA-N 449.606 1.602 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ncn(C)n2)C1=O 768422764 UEZZVXXSJAMOAO-OAHLLOKOSA-N 433.513 1.154 30 10 IDEE C#CCN(C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774194662 AGUXQQRBUXSFQT-MRXNPFEDSA-N 441.575 1.095 30 10 IDEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(OC)c1Br 776039788 AAXWLQTVDBQNRO-CYBMUJFWSA-N 437.294 1.604 30 10 IDEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1nnn(C)n1 782797627 LBWGXPPEPPQWNS-OAHLLOKOSA-N 444.565 1.027 30 10 IDEE CS(=O)(=O)c1ccc(-c2csc(CC(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)cc1 784934336 MUXRHNSOPOFRRJ-MRXNPFEDSA-N 430.555 1.955 30 10 IDEE C[C@@H](OC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)C(=O)NC1(C#N)CCC1 787642073 VGOWOQBMZBRQDK-SECBINFHSA-N 430.280 1.204 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)CCOC3CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 788115380 VBHRINPZPSHQKW-UHFFFAOYSA-N 432.525 1.275 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)[C@H](C#N)C1 793020606 LZFVRRZNWLZFHP-RKDXNWHRSA-N 433.412 1.976 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 809889387 AOVVHILGDHQSGX-CVEARBPZSA-N 434.541 1.864 30 10 IDEE COCCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 812127971 IZBRUULKQHVOQT-UZLBHIALSA-N 446.515 1.977 30 10 IDEE CN(CC(C)(C)C#N)C(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 815801732 FDDPZCASRQKBSJ-UHFFFAOYSA-N 445.524 1.480 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 916774266 LUDCOQHNOBSBEQ-KRWDZBQOSA-N 429.473 1.984 30 10 IDEE CCCCC(C)=NNc1nc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n[nH]1 1084488644 VRDUMCSBFUUDFC-UHFFFAOYSA-N 438.602 1.544 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCS(=O)(=O)C[C@H]3C3CCC3)C2=O)cc1 1130015787 MPOCZMXEUHEYSO-ROUUACIJSA-N 444.513 1.189 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1=O 1130987137 PUHCQDUSJRWPMM-IBGZPJMESA-N 446.463 1.477 30 10 IDEE COC(=O)c1ccc2c(c1)CCCCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1134394762 RGUQUACLYKADQS-UHFFFAOYSA-N 427.482 1.881 30 10 IDEE Cc1ccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)NCC#N 1140905678 FSGPYQGEKXWHLE-HOTGVXAUSA-N 440.525 1.893 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1141493772 JJPNNBXJUJPJLK-FTHFJMPFSA-N 449.451 1.464 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)c1 1158957185 CVYXTZNENUZNEW-UHFFFAOYSA-N 434.539 1.664 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CCO2)C1 1160315940 TTWWZRLDUOJHSA-RURFIKTLSA-N 434.493 1.141 30 10 IDEE CS(=O)(=O)c1nc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccn12 1161796974 HSSIJXAJTNHXEC-UHFFFAOYSA-N 442.453 1.256 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cc(C#N)c3ccccc3c2=O)C1=O 1166550377 ZNGUIEKLIUCVHV-HSZRJFAPSA-N 429.436 1.762 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](c3cc(O)nc(O)n3)C2)CC1 1171665800 HHIGZLTVCNXKLY-APWZRJJASA-N 440.479 1.225 30 10 IDEE CC(C)(C)OC(=O)[C@@]1(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOC1 1171805196 PZSBPSIAKLYCKB-WMZHIEFXSA-N 446.523 1.625 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3Cc4cnccc4NC3=O)C2)C1 1176659725 YFHSUNMUFYOLMM-ZTHJGWAOSA-N 425.489 1.848 30 10 IDEE N#Cc1cc(C(F)(F)F)cc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)n1 1184846913 DYFCJJPUBDJFNI-UHFFFAOYSA-N 429.380 1.175 30 10 IDEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC#CCN2C(=O)c3ccccc3C2=O)CC1 1194853785 HEZONEQZVCIXFG-QGZVFWFLSA-N 431.558 1.668 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286324587 QFQWWTNGJHWXLU-RBUKOAKNSA-N 446.577 1.394 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1286361224 MHNKZZQRNASPQP-CVEARBPZSA-N 446.577 1.534 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1286363513 UIIXTERLIQRWOS-HXUWFJFHSA-N 429.550 1.094 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCCS(C)(=O)=O 1286368564 VKEUDLSSLGERLD-UHFFFAOYSA-N 428.522 1.205 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1286375143 UPSNIVTYFAEMBS-OAHLLOKOSA-N 430.530 1.956 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1286392456 MFCTURKEIGVZFA-OALUTQOASA-N 431.562 1.562 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCC[C@H]2C)n1 1286471210 KEAHCOBYZDFPSL-DNVFCKCGSA-N 442.564 1.816 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C(=O)NC)CC1 1286493773 IUHBIJFBQHOLKL-UHFFFAOYSA-N 428.581 1.749 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286615461 NMVVSCWCIVZLKN-GOSISDBHSA-N 434.541 1.297 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CC)CC1 1286663016 DOXPCGFAOQHGKC-QFBILLFUSA-N 427.571 1.174 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1286772361 BYPFEQVNFDYWDH-QGZVFWFLSA-N 426.583 1.904 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286789323 CZPVTNLYIONDEJ-QZTJIDSGSA-N 441.488 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286822609 LONHTLKHLWHLHH-KRWDZBQOSA-N 437.610 1.963 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnnn3-c3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1289205957 OVRIZWOQYCEDSU-ZBEGNZNMSA-N 436.291 1.040 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1293031628 DWSFJBCRHSUQEK-ZPHPHTNESA-N 439.440 1.405 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1294779505 DATOEBOGHSVTCD-INIZCTEOSA-N 439.520 1.770 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1COCCO1 1300282053 GBPSSVONXSAVJU-DOTOQJQBSA-N 433.534 1.069 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1300336848 PBGOQAWTKUOAOF-UHFFFAOYSA-N 440.596 1.892 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300492585 NRQMOHGFSPOVOR-QZTJIDSGSA-N 445.593 1.338 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300502687 VXZVQOHYIINFRB-ROUUACIJSA-N 449.602 1.830 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1300972759 PRHKHMCZQWNZML-FUHWJXTLSA-N 441.598 1.734 30 10 IDEE COC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1301025210 SPSSXXLHIHBSHL-HXUWFJFHSA-N 448.531 1.519 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1301152343 YLFVJJKEJGYDBL-QGZVFWFLSA-N 441.598 1.422 30 10 IDEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 1301160245 OKYUGQASGNVVPR-HNNXBMFYSA-N 446.577 1.823 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1301342192 SFDVENWTOKQQMK-NRFANRHFSA-N 447.561 1.159 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301507149 YIBIBNMGBFHNHN-QGZVFWFLSA-N 426.521 1.340 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1301799794 NAJNVRXINYLMCW-DYESRHJHSA-N 434.541 1.511 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1301989067 JQVQIMDILMZTQF-MRUHUIDDSA-N 431.493 1.899 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1nccs1 1302093958 OGPPFSAAWUAGAL-DOTOQJQBSA-N 431.566 1.878 30 10 IDEE N#Cc1ccccc1N1CCCN(c2nnc([C@H]3CCOC3)n2CCOCCCO)CC1 1302999856 DRFQVORCOUNWJB-FQEVSTJZSA-N 440.548 1.769 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2Cc3ncccc3N3CCC[C@H]3C2)cc1 1304756946 FPXAQYKHPPOTKS-KRWDZBQOSA-N 425.514 1.898 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3cc(C(=O)OC)ccc3C2)c1 1305056525 HMBNAXPKRMRKMZ-UHFFFAOYSA-N 430.482 1.972 30 10 IDEE C=CC[C@H](C(=O)OC)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1307841269 BCSPICQXMMQNFU-KZNAEPCWSA-N 436.553 1.972 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1315035497 FXJQPHYQRSNLCX-UHFFFAOYSA-N 442.501 1.434 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1320039889 QSLFRBMNLODURP-HNNXBMFYSA-N 445.944 1.589 30 10 IDEE COCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1349137650 SUUVAOWBAMTVAD-CVEARBPZSA-N 431.555 1.626 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1349975754 PWEYZCSNYMQFBP-SJORKVTESA-N 428.489 1.540 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1358929658 FINFWNRRQZDKSD-HZPDHXFCSA-N 434.541 1.700 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1358937757 GXCDJWJFNNYMEF-CJNGLKHVSA-N 425.942 1.999 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358954948 BDELBECNQSYWFR-MRXNPFEDSA-N 448.549 1.168 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358955328 JYMPPBNVKVQOKD-OAHLLOKOSA-N 430.596 1.242 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358958528 QGURHKHBMALSNK-HUUCEWRRSA-N 440.472 1.897 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1358965350 SSWHDEQRZZJGIB-RLLQIKCJSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1358978533 OWTIHUQQTGKJIL-OAHLLOKOSA-N 431.484 1.137 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CCCC)CC1 1359035275 PPIXALJFYYZJPD-WOJBJXKFSA-N 427.597 1.639 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCOCC2)CC1 1359039592 OFXRJCIGTYEQTR-RTBURBONSA-N 431.581 1.493 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1359048601 WMEPPIMKALKLGG-UHFFFAOYSA-N 447.634 1.870 30 10 IDEE C=C(Br)Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359088587 OLMPRQPXUQPKFZ-KBXCAEBGSA-N 442.358 1.929 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1359278433 UQEXTTPKGIIDPO-UHFFFAOYSA-N 426.521 1.389 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1359307257 FNAHHKXOZGIZGN-NLWGTHIKSA-N 442.516 1.755 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCS(=O)(=O)CC2)cc1 1359307668 RFXHRFLEOJONBC-UHFFFAOYSA-N 426.502 1.583 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C2[C@H]3CCC[C@@H]23)n1CCN/C(O)=C1/N=CC=CC1=O 1360163638 LGKQTBGHAREWFY-QJKHGSGSSA-N 427.509 1.177 30 10 IDEE C=CCNC(=O)CNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1446850673 ZCNYNXGDZRVJLE-GOEBONIOSA-N 443.363 1.461 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)C1 1448452781 JNIOAKPKQIFUNK-LLVKDONJSA-N 431.294 1.987 30 10 IDEE C#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1452971835 HLLXPACJMNRZRZ-UHFFFAOYSA-N 427.526 1.558 30 10 IDEE CCN(C(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1455836924 VANPDXLVQUACHG-UHFFFAOYSA-N 428.514 1.675 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)c1 1456393067 GPBXIPPUZIGJFU-QFIPXVFZSA-N 433.526 1.794 30 10 IDEE C#CCN(CC(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12)C(=O)OC(C)(C)C 1466940484 WWOYHTRVJPSBSB-LJQANCHMSA-N 425.489 1.513 30 10 IDEE COc1cc(I)ccc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1468382008 POYHWNDDAJYNJJ-UHFFFAOYSA-N 426.170 1.072 30 10 IDEE COc1cc(C(=O)N2CCN(c3ncc(I)cn3)CC2)ccc1C#N 1470933464 DSDRWTLOFRIDKA-UHFFFAOYSA-N 449.252 1.924 30 10 IDEE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCO[C@](C)(C#N)C3)cc21 1475733637 HRCRBGZFGQKWBX-MRXNPFEDSA-N 428.308 1.661 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(Br)cc2C)CC1 1476453457 WQRSUOJXQGBAQC-UHFFFAOYSA-N 433.303 1.514 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCCC1=O 1505000189 PSDNBYOYZJJOMA-QZTJIDSGSA-N 434.541 1.524 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507583064 NINVORGCWJWRFW-OAHLLOKOSA-N 448.549 1.185 30 10 IDEE C#CCN(c1nnc(CC)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507633595 HOBQMMYOSRYJBY-OAHLLOKOSA-N 435.516 1.742 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cn2cccn2)cc1 1507656639 IMYWQRZQMNWAGL-UHFFFAOYSA-N 427.512 1.766 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1507820502 FPHYGJPTJVKFSG-INIZCTEOSA-N 444.623 1.940 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507832097 MXYIAOXWYDLFGW-HOTGVXAUSA-N 447.565 1.154 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507836503 NIGKWEWYUNMRAG-NRFANRHFSA-N 434.541 1.081 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1507915124 SWBGRADRZBMIBW-CQSZACIVSA-N 426.587 1.596 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1507970955 NOCQEMRVIUHPTF-HXUWFJFHSA-N 431.566 1.647 30 10 IDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC)C1CC1 1507994033 LMPFKOAOOUVRHW-UHFFFAOYSA-N 442.545 1.782 30 10 IDEE CC(C)Cc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509239805 ZADVMIHKHAHVRV-RURFIKTLSA-N 443.508 1.034 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 1517927430 CHSFHHKODILCMM-FUHWJXTLSA-N 436.491 1.616 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1519368399 HDUQUDNFEFGWIJ-UGKGYDQZSA-N 426.521 1.125 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1519513367 SLAMBLHQDOYVRI-SJORKVTESA-N 428.518 1.109 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1539067194 AUKWNWULEMHODU-INIZCTEOSA-N 435.532 1.814 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCn2nc(C)cc2C)CC1 1539427950 KFLBJAMNXSJMQO-UHFFFAOYSA-N 440.596 1.855 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539751853 WLHGVCQRODLAFW-IAGOWNOFSA-N 439.582 1.268 30 10 IDEE C=C(C)COCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1539759660 KDMPNJXVVQVJRY-JOCHJYFZSA-N 449.552 1.990 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539990146 FJOYPTDVBVFMIN-GOSISDBHSA-N 442.549 1.900 30 10 IDEE C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1540591316 VCNKHKNLGLAQTI-PBHICJAKSA-N 447.536 1.936 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1540871346 JOWPSHKLVXHTJY-KRWDZBQOSA-N 442.495 1.186 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1540903346 DCWOKTRHIUSSAO-YJBOKZPZSA-N 445.501 1.120 30 10 IDEE CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1541754836 ZLBGEIRGUSIAFZ-GOSISDBHSA-N 438.536 1.638 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)s1 1542785546 GGIRREIEQBVCCS-UHFFFAOYSA-N 445.570 1.807 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 1542895092 ZMAIHUQCMRMLLC-UHFFFAOYSA-N 437.294 1.184 30 10 IDEE C#CC[C@H](CCOC)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1543463518 SNAIWFYSDDNHFH-MRXNPFEDSA-N 449.529 1.314 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(CC)c1 1547599250 BGCGIZVHVMVBNM-UHFFFAOYSA-N 427.534 1.952 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1552656111 AQNXVQBKCSFXIF-LJQANCHMSA-N 435.532 1.914 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1554149864 BIQNGBKLFXCUPG-FXAWDEMLSA-N 447.586 1.556 30 10 IDEE COCc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1555308415 HFOAFFHHKRRTDO-GOSISDBHSA-N 433.472 1.849 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1S(=O)(=O)NCC#N 1570355542 GSUGBWVGMUIEQM-ZWKOTPCHSA-N 426.498 1.138 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2CCN(S(N)(=O)=O)CC2)s1 1586035354 QITHIIMJMZLFFL-UHFFFAOYSA-N 425.001 1.623 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)C2)C1 1586613619 NFXXEZULEGAPND-LPRCSBTHSA-N 443.591 1.719 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1587758520 BDKNZRPUVLJZIK-GOSISDBHSA-N 428.537 1.108 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1587804277 XHGDBMNBAAVOQW-INIZCTEOSA-N 434.541 1.560 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1588069902 UVLAGORZEFKZKO-MRXNPFEDSA-N 448.520 1.659 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCOCC1 1588445939 UVBTVMOKQABGBR-QGZVFWFLSA-N 430.578 1.697 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(=O)NCc2ccco2)CC1 1588885592 XNVFZWNTWZGMBQ-MRXNPFEDSA-N 426.521 1.667 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCSC2)CC1 1588930539 YQJLRSICLRNFRM-DYESRHJHSA-N 433.578 1.354 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1589197432 CODIYPHECVDDRX-OAQYLSRUSA-N 437.529 1.684 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1595805761 UBVAUSRKYVARCY-GOSISDBHSA-N 447.609 1.973 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(OCCN(C)C)c1 1608399667 DPIMKSJPKDYANI-JOCHJYFZSA-N 443.527 1.847 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1610904786 VYKRSTOVDUBOBH-KKSFZXQISA-N 432.525 1.093 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1CC1 1611708738 FHAWWSMKTPOTOL-MRXNPFEDSA-N 443.577 1.492 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H](C2CC2)O1 1612916618 CUZFYWULENFBKJ-KBXCAEBGSA-N 430.534 1.370 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@H](C)O1 1612977978 JXJXPFVKEYAMPR-ROUUACIJSA-N 428.537 1.921 30 10 IDEE CCNC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c1 1615933483 DSOBFJQMFVLCCN-FQEVSTJZSA-N 448.531 1.667 30 10 IDEE O=C(Nc1nccs1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@H]12 1616174540 AAMPCCBFFSRZFO-AVFNUOGKSA-N 434.499 1.313 30 10 IDEE COCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1617834781 XZXVVSOJODVTSW-KRWDZBQOSA-N 446.935 1.956 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COc2ccccc2O1 1620024737 KLEFOYRNOOPRMH-IXDOHACOSA-N 429.477 1.571 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1622158943 UNFIKVIJCAPCAP-SJORKVTESA-N 430.548 1.028 30 10 IDEE CCOc1ccc([C@@H](O)C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1625252666 GLQBBGVATJZWJB-HXUWFJFHSA-N 426.473 1.582 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 1625586747 SDUZKFQHQDICBT-JOCHJYFZSA-N 437.606 1.961 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1 1627229571 UNTMNJPZYMOENO-HNNXBMFYSA-N 436.511 1.116 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 1640376061 KEFKQPJDLBVXPW-BZUAXINKSA-N 430.571 1.798 30 10 IDEE COCCN1[C@@H](C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1C 1643572279 BPDGBCJJXHKKPQ-JQVVWYNYSA-N 431.556 1.576 30 10 IDEE N#C[C@]12CN(C(=O)c3cccc(I)c3O)C[C@H]1CS(=O)(=O)C2 1645997983 WNZWMIGYAVPJHK-LKFCYVNXSA-N 432.239 1.007 30 10 IDEE Cn1ncc2c(N3CCN(C(=O)COc4c(Cl)cc(F)cc4C#N)CC3)ncnc21 1656714551 XQWMNSBPWFVEKH-UHFFFAOYSA-N 429.843 1.755 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1659606938 IJGBFUSNJNAODC-KLSXAPCHSA-N 438.477 1.858 30 10 IDEE C=CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCOCC1 1664935059 OUOSBGFZKAIZCB-UHFFFAOYSA-N 442.481 1.931 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)C1 1681226087 BXBSDNMLZXZGBA-PEBVRCNWSA-N 433.431 1.598 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCc3c(CC(N)=O)cccc3C2)C1 1681435203 TXWXGKYWBBMXKG-WMZOPIPTSA-N 427.505 1.541 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1682196356 XCCLTIMYUNNZIF-IBGZPJMESA-N 442.541 1.866 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689973856 STNFICRFEHYHDP-OAQYLSRUSA-N 449.559 1.741 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690299084 DKGGHMDYHHUERG-FUHWJXTLSA-N 432.569 1.846 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1690317261 WSLTZWUGBISGKP-UHFFFAOYSA-N 440.552 1.418 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690461135 UYLCLDDBARACQN-QGZVFWFLSA-N 438.598 1.836 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690508435 JFQPBRXWJIYGRB-GOSISDBHSA-N 443.552 1.808 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1OC 1690596959 FQMUPPFJQZBUGX-KSZLIROESA-N 439.582 1.605 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1690680208 LYLYERVRCHATJD-ROUUACIJSA-N 445.545 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1 1690725214 ILQASLMLLDDQGC-UHFFFAOYSA-N 449.552 1.667 30 10 IDEE Cc1n[nH]cc1CCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1692919714 VVCJHIDOCGDRKX-NQIIRXRSSA-N 429.525 1.712 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695460819 BDXRTMDFVDUROE-GOSISDBHSA-N 438.536 1.292 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1698128880 HXKJWHOWNBABTF-OAHLLOKOSA-N 425.555 1.709 30 10 IDEE C#CCCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1705521762 LCFXBMQWWBESCZ-DENIHFKCSA-N 428.537 1.836 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCc2n[nH]c(C)n2)n1 1705630804 HIABGVLYEIZMJV-UHFFFAOYSA-N 425.541 1.728 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1705709513 QKGTYEICDVBCPV-FUHIMQAGSA-N 442.582 1.392 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1705805878 QSDCGPWUSJUVEP-KRWDZBQOSA-N 431.566 1.653 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@@H](C)CC)C1CC1 1705855061 UVYJPJIZTVHXCI-RIFZZMRRSA-N 441.598 1.563 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705884802 YECIMYSKFWNICL-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705884804 YECIMYSKFWNICL-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1705906708 MKXQTWLUSGFBTD-UHFFFAOYSA-N 449.515 1.137 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(O)CCOCC2)C1 1705915086 AFTFYJJBKIPDQN-PGRDOPGGSA-N 436.553 1.643 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](COC)C1 1705931050 CTZUIJDIFBANON-SFHVURJKSA-N 436.534 1.406 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1706746548 BREPIHGRMYFZHK-MAUKXSAKSA-N 440.504 1.811 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC(F)(F)Br 1706850811 WVBXYKOKSONZPJ-IUCAKERBSA-N 429.291 1.614 30 10 IDEE CC(C)N1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1706884186 WANQYUZEXRFQLI-HNNXBMFYSA-N 435.554 1.322 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@H]1O 1711460075 SITYHNIDGLNGOV-HZPDHXFCSA-N 435.431 1.459 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1712711266 HEZBDNDGXKQDJR-UHFFFAOYSA-N 437.529 1.930 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722306335 IYPDIYJPYTVCRR-GOSISDBHSA-N 448.593 1.322 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1722362715 BUSAKEJKIXJKGX-LJQANCHMSA-N 439.545 1.459 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722447789 PKQTWRNURCORAM-UHFFFAOYSA-N 429.546 1.258 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1722517679 MOEPCPJQQKNLPG-SJORKVTESA-N 425.555 1.706 30 10 IDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722619137 ZTGCEFQFLMYOJX-KRWDZBQOSA-N 429.525 1.805 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 1722707128 GYAVCFAQTRPIJG-LJQANCHMSA-N 440.548 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1722728078 TVBGRHHHHAVFGM-UHFFFAOYSA-N 433.509 1.749 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)O1 1726670174 CTAMWCFICWAMEJ-TXPKVOOTSA-N 444.561 1.854 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC#N)CC1 1729221212 HNWFVZSRCRJWDN-UHFFFAOYSA-N 427.534 1.886 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740622168 VWECIJUWCDWZFQ-XGHQBKJUSA-N 429.546 1.518 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1 1740630936 NWCKMZZNMMMZHA-UHFFFAOYSA-N 441.293 1.361 30 10 IDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740860759 OTHMSJQJXQJNGZ-SFHVURJKSA-N 442.549 1.900 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740955538 XCTISPRSHZUCKX-MRXNPFEDSA-N 443.504 1.654 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(CCOC)CC1 1740989470 NTNZQCDEVUQTKK-UHFFFAOYSA-N 433.578 1.623 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)c1 1742363584 FYVJKFMNAQDHIT-IBGZPJMESA-N 428.562 1.943 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1748714389 ZZIFVXAFJHGYKF-UHFFFAOYSA-N 435.536 1.997 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1748990793 LFIBGAZQCVVEMF-SFHVURJKSA-N 432.569 1.794 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1749097555 CRGGDJUVSVEJDG-KBPBESRZSA-N 428.331 1.768 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1 1749116000 YARHQGGNQBCRKI-SQNIBIBYSA-N 431.537 1.885 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1749189184 BNWWDMDQTFSBQM-JKSUJKDBSA-N 444.540 1.608 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2CCOC[C@H]2C1 1749679750 AKUOJCGLZVDWOE-LJQANCHMSA-N 440.548 1.243 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1749681005 VJMXNCSDTKOQQQ-UHFFFAOYSA-N 435.475 1.883 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1CCCO 1750441463 GDVGFBWOLNSLEN-GOSISDBHSA-N 439.564 1.957 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1750948075 DBDJDJPMTDIAQD-VWKPWSFCSA-N 435.548 1.746 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N(C)C)nc1 1751209582 GHLGPAOQVSZCMK-CQSZACIVSA-N 432.554 1.138 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1760132493 JIZWGYOMGALDQP-QGZVFWFLSA-N 429.546 1.854 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)Cc1ccon1 1760168230 SURAFALOKDWVPD-UHFFFAOYSA-N 430.490 1.131 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1760266264 ULVIHDBSSVYHEV-UHFFFAOYSA-N 434.544 1.723 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1760273699 ADLLBLIFMIIZJK-WBVHZDCISA-N 441.623 1.508 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCNS(C)(=O)=O)CC1 1760397721 AGLAMGULAKJFKE-HXUWFJFHSA-N 441.598 1.660 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)C1 1760546418 OBQOHMPBIVCRGV-CVDCTZTESA-N 427.549 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC)CC1 1760555445 FZFQKDVXSRTJIL-HNNXBMFYSA-N 427.527 1.009 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccco2)C1 1760557689 UAQVRWHXVVIAIW-KRWDZBQOSA-N 449.533 1.172 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)C1 1761546494 YCQRXTMHCKRQES-JLTOFOAXSA-N 427.534 1.678 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1767050161 APOMDLYDHBSUMX-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE CCO[C@@]1(c2nnc(N3CCCCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1767463958 NNMFJSJLQBUGNI-WUKBZCGHSA-N 444.536 1.837 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1770664330 WSJARYMIESUHRT-ZEJGXFDZSA-N 430.509 1.660 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1770790745 BJIUPVLOIRRMBR-IAGOWNOFSA-N 427.484 1.412 30 10 IDEE COCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1771274247 UDTVWOWKTLTNJO-UHFFFAOYSA-N 436.520 1.540 30 10 IDEE N#CCc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)nc1 1851600484 HHOCBZQRWFVIFZ-UHFFFAOYSA-N 433.447 1.902 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CCc3nc4ccccc4[nH]c3=O)CC2)nc1 1851706437 KZXRZZMALKGFOI-UHFFFAOYSA-N 432.484 1.488 30 10 IDEE CN1CCN(c2ccnc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)c2)CC1 1852769543 QOHAZUAGPNBJAR-UHFFFAOYSA-N 433.456 1.708 30 10 IDEE O=C(NCC#Cc1cccnc1)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 1853261832 JPOYQKKKWSOAGV-QFIPXVFZSA-N 436.537 1.372 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)COc2ccc3c(c2)OCO3)cc1 1853326678 CIQHDADNRMJQLK-HXUWFJFHSA-N 440.452 1.989 30 10 IDEE C[C@H]1C(=O)N(C(=O)COc2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854645710 KKTZRYBNXNVSQK-AWEZNQCLSA-N 431.445 1.524 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)c1 1857326390 BACLVXCCJNICBQ-IBGZPJMESA-N 428.920 1.744 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N[C@@H](C)CC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865725503 DQXGYXYXYRDMLK-XJKSGUPXSA-N 440.500 1.258 30 10 IDEE COCCCN1C(=O)c2ccc(C(=O)NCC(=O)N[C@H](C#N)c3ccc(C)cc3)cc2C1=O 1867504980 TYSIQTLWVREDEO-HXUWFJFHSA-N 448.479 1.738 30 10 IDEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1870143662 VQFJHNKNGKQGAV-UHFFFAOYSA-N 425.474 1.829 30 10 IDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226476 GHQFVMTXOJOMRA-UHFFFAOYSA-N 425.537 1.429 30 10 IDEE C[C@H](C#CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 1901977514 YANGIFPARMBIRF-KGLIPLIRSA-N 427.498 1.777 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988626782 JJCMHYIGLMBPQA-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE C=C(Br)CS(=O)(=O)NCCN1CCCN(C(=O)OC(C)(C)C)CC1 2006267610 SKGDIRZHYNPEAF-UHFFFAOYSA-N 426.377 1.757 30 10 IDEE CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H](CNC(=O)C(F)(F)F)C1 2106600146 MECZCMLPANIQII-QGZVFWFLSA-N 441.303 1.780 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124541600 UXELLIRXKQUBLI-NRFANRHFSA-N 448.329 1.476 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCN)c1 2164487368 LRGGOLDJELTKIB-OAQYLSRUSA-N 429.473 1.763 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2248433236 HMRGKVSJWCLHDO-UHFFFAOYSA-N 439.343 1.922 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2255672461 HVCBCQLBBJWPQC-STQMWFEESA-N 435.334 1.290 30 10 IDEE CC(C)[C@@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255824598 KPZKPDWFHDRFDB-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2CCN2Cc2ccccc2)n1 2255932345 YJNXTRZDMGARMH-KRWDZBQOSA-N 446.382 1.272 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267183599 GXOKWFYFNPVUHZ-RTBURBONSA-N 436.365 1.923 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267269961 IJJBXZGTUUYOAA-UHFFFAOYSA-N 447.341 1.483 30 10 IDEE O=[N+]([O-])c1ccccc1C=CC=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 2297178736 LZUOZPUHUVLPIK-UHFFFAOYSA-N 440.464 1.564 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2315533421 YBQZEAGLQNJJGJ-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2327884304 KDEDPVIDFWBIDZ-CYBMUJFWSA-N 447.517 1.951 30 10 IDEE CN1C(=O)N(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C(=O)C12CCCCC2 31402248 VKWUBXQBOPORLS-UHFFFAOYSA-N 427.480 1.943 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)cc3)n[nH]2)cn1 59886732 VMTCHPROSGLIHS-UFFVCSGVSA-N 444.521 1.511 30 10 IDEE C=C(C(=O)OC)[C@H]1[C@@H](O)[C@@H]2C(CO)=CC(=O)C2=C(C)C[C@H]1OC(=O)Cc1ccc(O)cc1 85942960 DDNQXWHGQQEAOE-RLLPEYFOSA-N 442.464 1.391 30 10 IDEE biogenic CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 427654410 BUWBNJSNYXIFOB-IAGOWNOFSA-N 435.480 1.597 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccc(F)cc1 440378454 ABDXNPJRHYKESY-UHFFFAOYSA-N 427.457 1.205 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)N2CCS(=O)CC2)cc1 481016300 PPOBITSHPDWUOU-AWEZNQCLSA-N 426.564 1.337 30 10 IDEE CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nnc2ccccn12 481504615 FEIXCJRFYMCANB-RDTXWAMCSA-N 426.502 1.781 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 483383166 SPHLJZXCIIVXLH-KRWDZBQOSA-N 427.530 1.956 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[S@@](=O)C[C@H]3c3cnn(CC)c3)cc2C1=O 489367603 LRHHMJQGIMWQGV-YVGXBJCXSA-N 426.498 1.631 30 10 IDEE CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503632494 YGZGWHDTYBKAKV-UHFFFAOYSA-N 432.546 1.838 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)c1 506717879 DZGFMRSKDAYLFW-UHFFFAOYSA-N 441.513 1.730 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)COCC(=O)NCc2cccnc2)cc1 521298655 CJGMAVQVJLQBEG-SFHVURJKSA-N 439.497 1.126 30 10 IDEE C[C@@H](C#N)CN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 532821899 GOVNLINUKMDHRT-KRWDZBQOSA-N 432.546 1.450 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2CN2CCOCC2)CC1 538266759 KKWFZLYCAJMAGU-GOTSBHOMSA-N 443.567 1.721 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@H]1CCCO1 560797899 WUKCQKKGQXGXLQ-MRXNPFEDSA-N 429.517 1.566 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 565694389 DPQXBKHKVWFSIE-UHFFFAOYSA-N 444.492 1.986 30 10 IDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 566378951 GRWONDGCVHXCNG-UHFFFAOYSA-N 446.515 1.725 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)C)CC1 567116198 UQGWEXNDFIEMAC-HXUWFJFHSA-N 440.548 1.871 30 10 IDEE N#Cc1c(CCCNC(=O)Cn2cnc3ccccc3c2=O)nn(-c2ccccc2)c1N 603504124 VLTHQKIPYYEZRE-UHFFFAOYSA-N 427.468 1.785 30 10 IDEE O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465213 DVOLUOVVPUSNRF-HNENSFHCSA-N 444.467 1.648 30 10 IDEE COc1cc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 732669995 RYEZGMXENOFXDP-GFCCVEGCSA-N 430.324 1.827 30 10 IDEE Cn1c(=O)c2c(ncn2CCC(=O)OCC#Cc2ccc(C(F)(F)F)cc2)n(C)c1=O 750878752 VTVPJZGTNZBPJS-UHFFFAOYSA-N 434.374 1.438 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@H]2CCOC2)C1=O 751680270 WQCQGRSKFMIVJI-BBRMVZONSA-N 426.489 1.753 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2OCC2CC2)c1=O 758068778 UGRDVSHYNSZYJI-UHFFFAOYSA-N 447.560 1.894 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1 758646346 WMXBIXDPVANANM-QWHCGFSZSA-N 429.520 1.127 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cnn(CC)c2)C1 760321366 PNJWABKSEWSBOH-HOTGVXAUSA-N 447.565 1.307 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(c2ccccc2C#N)CC1 765662774 XLJRYOGZXURHGL-INIZCTEOSA-N 437.525 1.882 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCSC[C@@H]2CCO)c1 768972369 LVRDWNMZAGZNOI-IENXAOORSA-N 426.564 1.831 30 10 IDEE C[C@H]1COCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 769250540 BZGRCFSCTCVINC-GJZGRUSLSA-N 428.445 1.671 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)sc1Cl 771172297 MGFDXHVRECIDQW-MRVPVSSYSA-N 432.770 1.975 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1CCS(=O)(=O)C1 774219390 HTONSWVZWHREQT-CABCVRRESA-N 427.473 1.699 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCOc2ccc(C#N)cc2)[C@@H](C)O)cc1C 777303389 VXWVRAITANLNFI-UZLBHIALSA-N 432.498 1.825 30 10 IDEE CS(=O)(=O)c1ccc(-c2csc(CC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)cc1 784934321 MUXRHNSOPOFRRJ-INIZCTEOSA-N 430.555 1.955 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)n1 788695450 OCHCCKPHWKFXJK-UHFFFAOYSA-N 426.426 1.410 30 10 IDEE CC(=NNC(=S)NC[C@@H]1CCCO1)c1ccc(Br)c(S(N)(=O)=O)c1 797399335 BDOFENIAKOVBOY-NSHDSACASA-N 435.369 1.464 30 10 IDEE C=CCNC(=O)NC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC 805829971 SLDCPJCCZBJTEI-YOEHRIQHSA-N 442.438 1.891 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807935737 UHPJZOMXCVSVNK-KRWDZBQOSA-N 441.517 1.574 30 10 IDEE C#CC[C@@]1(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 809803307 GJZUNHWAYODMKB-NRFANRHFSA-N 439.578 1.806 30 10 IDEE C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 858007008 WUACYDDKSOGMPD-JTQLQIEISA-N 426.458 1.122 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)C1=O 1130032819 XAOJRUGTEJBMLX-UHFFFAOYSA-N 430.461 1.304 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1133085832 WAYZBOABOCYPDX-UHFFFAOYSA-N 443.504 1.156 30 10 IDEE C[C@@]1(C#N)CN(C(=O)c2cc(I)ccc2N2CCOCC2)CCO1 1134270955 OUFZOLZEYORROT-QGZVFWFLSA-N 441.269 1.882 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 1135385653 LDDIZLSSFMJXDY-UHFFFAOYSA-N 443.572 1.644 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 1137536848 APMRAVLIXKZJEY-IRXDYDNUSA-N 427.567 1.471 30 10 IDEE COc1cc(C(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc(OC)c1OC 1146214428 RBGOOSZVNZYBNL-QGZVFWFLSA-N 427.457 1.506 30 10 IDEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCc2c(CC#N)cccc2C1 1175061428 GIFCXYGBLAYYJN-INIZCTEOSA-N 426.542 1.506 30 10 IDEE Cc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc(S(C)(=O)=O)c1 1175365202 PFIZCYILDKHXBO-UHFFFAOYSA-N 435.527 1.856 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 1175514722 FVIBAQUGTNQCIX-UHFFFAOYSA-N 438.509 1.770 30 10 IDEE C=C(C)C[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1176172997 MTLJJDDSAJUDAF-HOTGVXAUSA-N 425.526 1.906 30 10 IDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@]1(C(=O)OC)C[C@@H]1S(C)(=O)=O 1176825554 KQNFSRUWOXEEOT-WMLDXEAASA-N 435.420 1.976 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCc3ccncc3)cc2)CC1 1215213333 RSFGEHVANIEBCH-UHFFFAOYSA-N 429.502 1.278 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1286297302 VOWPMTHLIHMZCG-BOSXTWCSSA-N 439.582 1.417 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1286385790 PHGGQXXZWMPSHV-LVCYWYKZSA-N 436.578 1.756 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2c(C)cccc2C)CC1 1286483655 SGRSBROYUYCDAV-UHFFFAOYSA-N 449.559 1.411 30 10 IDEE C=C(C)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286598813 DSDWPMJNVZASTJ-IBGZPJMESA-N 427.571 1.367 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286612508 GMZPIAVWJMVKDZ-GOSISDBHSA-N 426.521 1.972 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCO2)CC1 1286646028 LFAJSVINHZRKFG-QFBILLFUSA-N 425.555 1.337 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1286706879 VXFGSIHUQQRSBM-KRWDZBQOSA-N 442.568 1.931 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286775961 ZJUZAMZDOKIMDV-UHFFFAOYSA-N 445.574 1.726 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1286832417 STBYUXVPSUKFAU-CABCVRRESA-N 447.652 1.472 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1300698478 SZZMGGIDZUFWTF-APWZRJJASA-N 426.496 1.591 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCOCC2)CC1 1300709653 AHGGHTIYEFGOQZ-UHFFFAOYSA-N 441.532 1.162 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1300882517 VKIPGQSRAHYHIN-ROUUACIJSA-N 432.550 1.403 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301084358 UTBPKURVTLPYEY-IAGOWNOFSA-N 428.468 1.524 30 10 IDEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(=O)NC)CC1 1301089296 RJKDPLYJAADGKJ-UHFFFAOYSA-N 437.592 1.935 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1301424395 KUFDFHDRNGSJPH-OAHLLOKOSA-N 425.580 1.827 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1301452581 UDIXYZUINYDKCV-IBGZPJMESA-N 437.548 1.793 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301479171 VMHPEYMWPZOQSP-CQSZACIVSA-N 429.525 1.789 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cncn3)nc2)C1 1301535750 OCYFDTASTSMEHE-KRWDZBQOSA-N 437.508 1.222 30 10 IDEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)CC1 1302999711 CRRSOFVFTZTZMI-UHFFFAOYSA-N 429.912 1.982 30 10 IDEE N#CCCN(CC1CC1)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1303012831 JFNUSECJVQJBIQ-LJQANCHMSA-N 435.575 1.610 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1303635833 JGPHWDKGZPICNT-RCDICMHDSA-N 434.504 1.409 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)c1 1304181081 ACHGPHGZHOPCJH-GOSISDBHSA-N 433.534 1.637 30 10 IDEE C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1307830878 GQRAZMJOSJOMIT-KRWDZBQOSA-N 435.546 1.532 30 10 IDEE N#Cc1cccc2c1CN(CC(=O)N1CCN(S(=O)(=O)c3c(F)cccc3F)CC1)C2 1307892508 INPDFRNHPKJMSX-UHFFFAOYSA-N 446.479 1.685 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1313546803 CFGCDDCALWKTPX-HNNXBMFYSA-N 425.493 1.572 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)CC1 1314504417 GPGXRGNLYCSRDU-GOSISDBHSA-N 447.561 1.882 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1O 1315109250 OVOXKLQEAKYTKQ-VZKMNXCRSA-N 439.516 1.728 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1316228118 AOVGFMYHCBWGSX-KRWDZBQOSA-N 425.493 1.438 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 1319390447 BPAIYYFHWBXKPH-HNNXBMFYSA-N 436.537 1.712 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 1357995012 DSNIOUFMRDAQFW-GOSISDBHSA-N 426.517 1.787 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)NC)c1 1358870394 MGSNBIKOYJCKGG-INIZCTEOSA-N 431.500 1.986 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1358872285 RXJSMSJPTHFBLJ-SJORKVTESA-N 430.578 1.799 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358961315 WGJRFCBYLIOXSQ-QGZVFWFLSA-N 446.577 1.011 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1359036747 HNOYUQPKHUQERX-UHFFFAOYSA-N 447.992 1.855 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ncccc2C)CC1 1359041273 RSGJCRUUIOLZTF-SFHVURJKSA-N 440.548 1.720 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCO2)CC1 1359041845 KHWAGPGDTNXWKL-GCJKJVERSA-N 431.537 1.075 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 1359043281 OMJOAVMVGLYPBH-LJQANCHMSA-N 436.560 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OC)c2)CC1 1359044329 CEPWUGMBHZJECW-LJQANCHMSA-N 436.516 1.252 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1359092258 YPNWFYNGQSRJCA-RYRKJORJSA-N 439.520 1.621 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1359125019 MYEZWXHGZMFCOR-JOCHJYFZSA-N 426.521 1.864 30 10 IDEE C=C(Cl)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359157759 SWHLZRHVYBZDLY-VQIMIIECSA-N 427.933 1.413 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CC1 1359233841 SRZUINBEUHARHK-NDEPHWFRSA-N 437.591 1.729 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359301604 DFXHNBNBCIAFDT-MOPGFXCFSA-N 447.486 1.834 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)CC1 1359301740 JOWLSHMEOCYUKX-UHFFFAOYSA-N 432.956 1.593 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCCC1(C)C 1360677490 DGJNJHLEHCJIML-MGPUTAFESA-N 438.598 1.960 30 10 IDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cc1 1361284596 HVYWUWYXTGJBKH-FUHWJXTLSA-N 432.550 1.706 30 10 IDEE N#Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c(I)c1 1439404387 YBCXUZFDJRUPPD-UHFFFAOYSA-N 437.241 1.886 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@@H](CC#N)C(F)(F)F)C1 1439459870 VPRZFDPCVYNSKX-JRPNMDOOSA-N 425.429 1.229 30 10 IDEE Cn1cc(Br)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1=O 1447487792 SGYDTCUGHMFQOF-GWCFXTLKSA-N 425.283 1.637 30 10 IDEE C=CC(C)(C)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1449454274 MKECIIIMSKMOKA-ZDUSSCGKSA-N 435.468 1.946 30 10 IDEE Cc1ccc(C(=O)NCCc2ccccc2N2CCOCC2)cc1S(=O)(=O)NCC#N 1449850252 URAXWBFZXLPULJ-UHFFFAOYSA-N 442.541 1.606 30 10 IDEE COc1ccc(CC(=O)NCc2ccc(CC#N)cc2)cc1S(=O)(=O)N1CCOCC1 1461154635 DPHBPLSAWDHVHV-UHFFFAOYSA-N 443.525 1.641 30 10 IDEE C#C[C@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C1CCOCC1 1464125422 PJZTWKIDSURXFG-IBGZPJMESA-N 440.587 1.876 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCc2ccc(C#N)c(F)c2)CC1 1468751109 ANWJXWICIXOSRH-UHFFFAOYSA-N 445.520 1.633 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2=O)cc1 1469763103 WCEQIIUOPUUPBZ-FGZHOGPDSA-N 448.527 1.649 30 10 IDEE C#CCN(C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1CCS(=O)(=O)C1 1477033778 UKPDITGSYMUXHQ-NSHDSACASA-N 442.291 1.434 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(CC)cc3)CC2)C1 1479313080 LURILYVITSHBKQ-TZIWHRDSSA-N 426.561 1.968 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CC(=O)NCC(F)F)cc1 1505316132 GAKIEZZPLFJTDY-UHFFFAOYSA-N 446.458 1.584 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507569669 HQOMRNMNAYBHLJ-JOCHJYFZSA-N 441.536 1.019 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1507630507 APMDWNRTLYFUSI-MRXNPFEDSA-N 444.586 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507642649 YAJHKISPPVRRSY-IMSXRSKXSA-N 443.592 1.891 30 10 IDEE C#CCN(CC)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507690477 YZIVMXBXIMMGTP-ZWKOTPCHSA-N 430.578 1.947 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCNS(=O)(=O)CC 1507763133 OCQCZWCJYGMNKS-OAQYLSRUSA-N 447.561 1.894 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC(N)=O 1507781632 DYWOFNRYCALTKN-JTQLQIEISA-N 425.287 1.615 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1509213189 FOSGDGKIRHNNJW-KRWDZBQOSA-N 443.577 1.505 30 10 IDEE Cc1cccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1510677674 DRFDDUNRTHKNAE-NUJGCVRESA-N 448.549 1.393 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1515993914 KUEPLCUABSDFDH-UHFFFAOYSA-N 447.490 1.704 30 10 IDEE CN1CCn2nc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)cc2S1(=O)=O 1520600518 WAUGWKMMVAGICZ-CYBMUJFWSA-N 429.380 1.410 30 10 IDEE N#Cc1ccc(C2=CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)CC2)cc1 1521082244 DYQSUPVETIMNFG-FQEVSTJZSA-N 436.516 1.794 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCCO)CC2)c1 1521110795 RDWYPIHUTSSURV-GOSISDBHSA-N 438.536 1.375 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCOCC1 1539167751 KYMIDSPVYWRFTD-UHFFFAOYSA-N 445.593 1.418 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1540037743 QMJSDMIQEGWFPA-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCOCC1 1540140510 XKFDJWUUSSRSBT-UHFFFAOYSA-N 432.550 1.529 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1540862120 RKYPDIRYWCKXHM-MOPGFXCFSA-N 445.612 1.809 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NC)C1 1540871019 BQESEXJBWNFOQX-YJBOKZPZSA-N 440.504 1.055 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1540897174 CHWYGSGTNPGOCT-QLPKVWCKSA-N 430.534 1.761 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540916929 KCIZDRRDZARNIH-KRWDZBQOSA-N 449.602 1.835 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1548337237 RKAGMQIFKUSAAU-QGZVFWFLSA-N 445.549 1.067 30 10 IDEE CNC(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1554484698 BLGUEWZVMOEHRI-UHFFFAOYSA-N 425.541 1.312 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1555558700 ARPKLYLPANQWNK-IEBWSBKVSA-N 428.541 1.899 30 10 IDEE CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1557966219 XHVBRKIWXWEUTA-UHFFFAOYSA-N 429.340 1.665 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1559896704 STGUTBXHNBGUML-UHFFFAOYSA-N 438.488 1.168 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)cc1 1569318956 FOMGAGYEHNUZAJ-FQEVSTJZSA-N 444.557 1.921 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C3(C#N)CC4(CC4)C3)C2)CC1 1586902288 OQQIZOLVIHZVQM-UHFFFAOYSA-N 438.550 1.164 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1587638092 BLKOIBPRPRQUDS-NVXWUHKLSA-N 433.534 1.107 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1588069109 HMLLHRRZZKTDRG-KRWDZBQOSA-N 447.586 1.445 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1588084095 MLUJQDHCYGIMLW-CRAIPNDOSA-N 433.509 1.488 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2cnnn2C)CC1 1588890712 DZRGSSJQTYSBSM-OAQYLSRUSA-N 446.559 1.963 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1594784399 YQZWYLHHHJXBIR-ZACQAIPSSA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595475496 DCGBPCGIRHVCDY-IVZQSRNASA-N 442.495 1.576 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCCCCC1 1595798398 OZCGBIMLTDGEEV-MRXNPFEDSA-N 430.596 1.552 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595837728 CCOBAWHYDYCKDB-SFHVURJKSA-N 434.610 1.734 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](N4CCCC4=O)CC3)C2=O)cc1 1597352758 CGFGTACSTWFVME-PKOBYXMFSA-N 437.500 1.767 30 10 IDEE COC(CN(CCCO)C(=O)C1CN(c2ccc(Br)cc2C#N)C1)OC 1616937946 NESSOVVFHIMLQL-UHFFFAOYSA-N 426.311 1.587 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1(C)C 1619517271 LLPYXGHEIFUUKJ-UWJYYQICSA-N 445.545 1.228 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)C[C@H](C)C#N)CC1=O 1619927208 BVXJIHGNSDQSGA-HZPDHXFCSA-N 440.504 1.765 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1620071744 YCZNKFHHJJCAPW-LJQANCHMSA-N 447.561 1.883 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1620350892 RKENVEJULBGRPL-LSDHQDQOSA-N 447.499 1.552 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1623669684 VBXABKPJYKTJJH-HNNXBMFYSA-N 431.543 1.203 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1624756911 UOTQCVWEQPYEDA-QGZVFWFLSA-N 432.565 1.448 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1624973800 KQJRJFLOFBPXOB-UHFFFAOYSA-N 443.481 1.394 30 10 IDEE CN(C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1625872438 BJDAUMNJHPBIOT-MRXNPFEDSA-N 430.571 1.846 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1628543671 XLYVDQQKEXJYJE-BPUTZDHNSA-N 439.331 1.275 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1628849822 PFYUOIOZVLEHIR-DJIMGWMZSA-N 428.348 1.543 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1630447528 ACURYKHMJXXJJX-UHFFFAOYSA-N 430.505 1.553 30 10 IDEE CCCN(C(=O)c1cccs1)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1631205364 BVADUBUEUNXPSI-UHFFFAOYSA-N 443.529 1.816 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1632770432 WSWDMGGBYPWTLH-STSQHVNTSA-N 442.516 1.930 30 10 IDEE N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=NCC(=O)NCC(=O)NCc1ccccc1 1640385127 TXHSDIKBTMFXKY-UHFFFAOYSA-N 427.386 1.790 30 10 IDEE Cc1onc(CC(=O)N2CCN(c3ncc(I)cn3)CC2)c1C#N 1642266720 AAPDOGJAENTPNJ-UHFFFAOYSA-N 438.229 1.141 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)cc1 1643035376 GUINMVZISJETOB-UHFFFAOYSA-N 443.525 1.578 30 10 IDEE C#CCOCCN(C)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1649056493 MGCFYLXZJYSXBI-UHFFFAOYSA-N 436.424 1.152 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCC)c(OCCC)c2)CC1 1657911670 KWCHZQYDODQKCV-UHFFFAOYSA-N 438.550 1.881 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1661428182 HEUHTOLNJJGGJW-UHFFFAOYSA-N 436.509 1.130 30 10 IDEE COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 1676113163 NWAQFVHMVRWADU-HKUYNNGSSA-N 436.534 1.016 30 10 IDEE N#Cc1cn(CCNC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c(=O)nc1O 1677134836 BKLINYNLJQQOLD-KRWDZBQOSA-N 430.896 1.610 30 10 IDEE CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1687782654 RTIVRQXDLJWEAV-CQSZACIVSA-N 433.534 1.981 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnccc1OC 1690013198 FMNWMFPFEJSMBL-UHFFFAOYSA-N 449.540 1.763 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1690034699 PHPJMXDLHJZAJS-HSZRJFAPSA-N 439.516 1.691 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1690045984 UYIQVSPOGUOCKJ-LJQANCHMSA-N 441.557 1.591 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCN1CCN(C(C)=O)CC1 1690193810 SIPPVDJBBAVNBK-XMSQKQJNSA-N 432.569 1.158 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(C)C 1690527208 KZDQHAUIVGXEDE-WBVHZDCISA-N 438.554 1.129 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1690565625 NZDOHMOYVRJUIL-IBGZPJMESA-N 443.573 1.899 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690662788 DHUAOILIIPLATN-SFHVURJKSA-N 440.548 1.414 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690672592 XEIYHMHNTKFVQN-UHFFFAOYSA-N 428.537 1.951 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)C(C)C 1696329941 OKBKCIXMNODBLH-UHFFFAOYSA-N 440.552 1.570 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1696657250 UUUQWDDDHFMAEM-MRXNPFEDSA-N 444.561 1.602 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CN(CC(C)C)CCO1 1698231430 XXWAFJWKCKAHTL-WCIQWLHISA-N 434.585 1.955 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705517454 VZJBLZYDNPHPJA-WOJBJXKFSA-N 449.621 1.532 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705526204 HBGNSSKXKATYEE-MRXNPFEDSA-N 444.561 1.276 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562739 IYLOFDWSYOLTQW-GOSISDBHSA-N 431.562 1.958 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705567235 UYMZNEPQKVNKGA-MOPGFXCFSA-N 437.610 1.528 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1705583289 USYXIXOEEXRZIC-MSOLQXFVSA-N 442.541 1.729 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(Cc2ccccc2)CC1 1705603589 QWQYWFYXHYQJLM-UHFFFAOYSA-N 449.603 1.791 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2C)CC1 1705634947 NEMIXKNSXMNYFY-JOCHJYFZSA-N 427.553 1.164 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCC(F)F)CC1 1705645918 JOXABNQWTTZCBI-UHFFFAOYSA-N 444.486 1.601 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1705650183 NKBZMGBLMSUNDP-UHFFFAOYSA-N 443.573 1.453 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705707732 QFRVDPLLUNRTJF-QTEQDKRBSA-N 447.580 1.968 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1705879693 ILDSYZPUYYFUNE-UHFFFAOYSA-N 432.569 1.944 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCSC2)C1 1705928447 FFOSKAXJKIMUFG-MGPUTAFESA-N 449.602 1.919 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1706746552 BREPIHGRMYFZHK-YJBOKZPZSA-N 440.504 1.811 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCC(=O)N3CCCCC3)CC2)c1C#N 1707807501 BYNPQAIYBYPNNF-UHFFFAOYSA-N 425.541 1.229 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCOC1 1709186734 YCDFUFQYHNPOKG-UYAOXDASSA-N 438.532 1.975 30 10 IDEE CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1710280429 ILSBRUUSXAZDHI-JFWRZSAESA-N 443.552 1.577 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1710329092 PSSGKMPHDYDDHL-UHFFFAOYSA-N 435.532 1.422 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1712696547 FGWKXIDUMPTPLS-OAHLLOKOSA-N 441.460 1.710 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722332324 ITIBYEALVDKTTD-IBGZPJMESA-N 445.593 1.039 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1722428124 CIMCAZFODUXHPP-SFHVURJKSA-N 437.610 1.388 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)CCCC)CC1 1722447898 OXPRODOIFHEOHG-HXUWFJFHSA-N 430.597 1.870 30 10 IDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)C 1722455237 RQYUMILVLYVHRX-UHFFFAOYSA-N 439.549 1.248 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1722476211 PAOQNNWKFYJZTF-HTAPYJJXSA-N 442.589 1.982 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722487397 PKGBEFNTIXPKJQ-UHFFFAOYSA-N 439.358 1.312 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722522182 CDASNFDUWJFTTM-SJLPKXTDSA-N 429.569 1.375 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1722581478 CDFXIDMOWLHMKA-CQSZACIVSA-N 449.581 1.147 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722617810 MOYSTSJMQPSYLL-FGTMMUONSA-N 439.582 1.583 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(C)(=O)=O 1722907625 HDROHIYCFDCMFI-UHFFFAOYSA-N 447.565 1.684 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1729220915 GPFSTWVAZIFXSM-UHFFFAOYSA-N 428.522 1.089 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1730925041 SUKJEPQNUYPAHG-JTSKRJEESA-N 427.505 1.864 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)C1 1731180412 BBIRDZQYEFSAIV-TXPKVOOTSA-N 441.529 1.065 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740624879 BLAYSGITBBXZEB-ROUUACIJSA-N 437.610 1.214 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCOC[C@H]2C)CC1 1740704259 KQVMQQTZKXHYIH-GOSISDBHSA-N 437.548 1.027 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1740721410 ICSDBADBSIEHKN-UHFFFAOYSA-N 432.525 1.824 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740948043 RBGQTXWDJFSGOB-UHFFFAOYSA-N 429.550 1.468 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1741082894 FNYQQENSXNEQKP-LJQANCHMSA-N 449.519 1.515 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCN(C)C1 1741648537 BHEYFCKLZSSGNX-DEOSSOPVSA-N 449.559 1.648 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(C)C 1741849522 FPWZDAXODXGCFJ-FGTMMUONSA-N 439.568 1.499 30 10 IDEE Cc1ccccc1CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1742438163 OJIAXRJBKLDSLW-SLNYWTKHSA-N 449.515 1.700 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCCNS(C)(=O)=O 1747731526 VXIRTZWYMLXKTO-GOSISDBHSA-N 432.550 1.619 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCNS(C)(=O)=O 1748646530 ANIPKQIVJNRXPC-LBPRGKRZSA-N 426.340 1.715 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1748732324 YLSGEBGIGMNNGM-YQVWRLOYSA-N 434.610 1.755 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811084 BIAIXWRSIZEHBA-QGZVFWFLSA-N 444.561 1.711 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748821131 MDQOPIMOGVSZBK-HNNXBMFYSA-N 433.500 1.351 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCCC1 1748835476 DTFRGXVKEXVERR-UHFFFAOYSA-N 429.532 1.868 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1748863916 KQKPNOHAYILZKI-RBUKOAKNSA-N 434.610 1.616 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1749590962 KDMLKPUQTQTELH-FUHWJXTLSA-N 447.561 1.882 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccccn1 1749655970 VWPGUCJAWFSRQA-UHFFFAOYSA-N 440.529 1.682 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCCO2 1750009888 ZEKPPVBTSBMCKR-NVXWUHKLSA-N 429.477 1.550 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)C[C@@H]1O 1750339728 SPVJHPXINYQNFF-XLIONFOSSA-N 442.589 1.985 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1760096920 WVLGNMNCVVBJJD-HOTGVXAUSA-N 447.490 1.739 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC=CCO2)c1 1760128658 OROBAMOZHTWWQN-RBUKOAKNSA-N 434.500 1.631 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760157071 CIWCNMHCMSNPCP-HNNXBMFYSA-N 441.517 1.952 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1760272449 KLGPXYYCDPJLLZ-UHFFFAOYSA-N 433.582 1.167 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760282170 XCAHTLCCPLYNOR-VVLHAWIVSA-N 439.607 1.212 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1760288481 DIBHAXFUFOZPJS-JLTOFOAXSA-N 445.549 1.282 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760380787 NOLVXFUYHMIVEY-MRXNPFEDSA-N 447.989 1.759 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760447006 BSAXDOQDVBISMQ-KRWDZBQOSA-N 444.561 1.880 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1760451838 VJMKEPWMYKMZKA-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccc(OC)cc1 1760514479 GZVVBRRTNNILJR-UHFFFAOYSA-N 426.521 1.851 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760518061 HFUVVQBYADPUIC-OAQYLSRUSA-N 445.955 1.597 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1760529008 TYUCLDOOAMWKNE-IMBTUZDBSA-N 435.569 1.739 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)C1 1760541838 ANWXEOAOSRJERE-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1760554743 LNDQPUUNRRKCDQ-OAHLLOKOSA-N 449.581 1.585 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2CCOC[C@H]2C1 1760556501 FVTORZVAASOAMW-HXUWFJFHSA-N 445.589 1.299 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760863141 FLQIUIWNNORQKT-FQEVSTJZSA-N 432.550 1.305 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1764690867 FJPBBIAVOMCWIU-JKSUJKDBSA-N 449.556 1.661 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1766946435 YLSFOIZMCJAPJR-UHFFFAOYSA-N 430.534 1.325 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1767016659 PPOQZVLPGXCBAS-CYBMUJFWSA-N 434.522 1.044 30 10 IDEE COC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)OC 1769235858 RYFLDGLXEGIDRH-KBPBESRZSA-N 439.314 1.436 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1770144591 CIBCECBSGPOZEQ-QZTJIDSGSA-N 427.461 1.984 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)C1 1770344655 URUFXINWVZRBAF-MSOLQXFVSA-N 436.582 1.584 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(C)C)nc1 1771305213 WJXFYIOVIMRUGO-BJLQDIEVSA-N 442.520 1.961 30 10 IDEE CO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1771326257 DZJSTJNOJKIJBI-UGNPLGLKSA-N 436.516 1.815 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1771529033 HGEJGCOHAQIVLC-WDUKFBBWSA-N 443.458 1.154 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1772793174 VMLQSFMPGNHLMS-AWEZNQCLSA-N 430.438 1.512 30 10 IDEE C[C@@H]1Oc2ccc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc2N(C)C1=O 1851616121 FTZSENGAAAWSFM-INIZCTEOSA-N 435.484 1.676 30 10 IDEE CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1 1855933447 BTYKRYLWNNWDSV-QGZVFWFLSA-N 432.546 1.332 30 10 IDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3sc(-c4ncccn4)nc3C)C(=O)C2)C1 1856868431 NBOGJSWRGLSZCE-INIZCTEOSA-N 426.546 1.843 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)C(=O)C2)s1 1857507969 IULRJRYMDDQBQY-CQSZACIVSA-N 426.473 1.983 30 10 IDEE CN(C)c1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)c1 1870099517 JUDPQKLMRPWEGC-UHFFFAOYSA-N 425.430 1.853 30 10 IDEE C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc2C1=O 1873681779 QYESNZUPPBQACA-NSHDSACASA-N 430.380 1.460 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2025607972 YHSSMTRPAJIWBA-AWEZNQCLSA-N 425.335 1.696 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2081007889 CPFRIXZBHXRAFQ-ARFHVFGLSA-N 438.330 1.118 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@@H](O)C1 2254790806 DGMIXXFQSQLBQB-CQSZACIVSA-N 437.321 1.938 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(C)(C)O)Cc1ccccc1 2255694673 RNYRKMYURSJONM-UHFFFAOYSA-N 428.342 1.918 30 10 IDEE CCc1nn(C)c(C(=O)NCCONC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255822917 QYJUUARVDISHCI-UHFFFAOYSA-N 438.334 1.468 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1 2255832225 JFQHDDHHCJOACR-UHFFFAOYSA-N 430.207 1.936 30 10 IDEE Cc1c(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267138665 ZAVIWPKULWWVAA-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267510181 HAQASDZCFKOJAW-CVEARBPZSA-N 446.357 1.943 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2267548631 UBCVGWITIRPJSO-QWHCGFSZSA-N 449.361 1.536 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNS(=O)(=O)C1CC2(C1)OCCO2 2277955050 HLXJWIGESSDMQX-UHFFFAOYSA-N 429.369 1.681 30 10 IDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCCC1 2286014949 CMGFWWGWCMZSJC-MOPGFXCFSA-N 436.530 1.956 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOCCN1C(=O)OC(C)(C)C 2315538953 PUMZKWDRQUQLFG-UHFFFAOYSA-N 436.318 1.344 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@@H](CO)C1 2322306478 KERFUJMZWLJNIY-CQSZACIVSA-N 437.321 1.938 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1 27559929 RWQPBSNFUWMPOP-UHFFFAOYSA-N 429.546 1.677 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 32490074 RSFKXGHEMPFDAI-FQEVSTJZSA-N 442.560 1.431 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105284431 WWMCNZDCLMXRQQ-UHFFFAOYSA-N 443.529 1.149 30 10 IDEE COCCS(=O)(=O)c1ccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 429599024 CAHCWFBBRYKFSY-UHFFFAOYSA-N 440.485 1.881 30 10 IDEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CC2)c1=O 430978223 ZXYLAVQOSINAKU-UHFFFAOYSA-N 445.548 1.771 30 10 IDEE Cc1c(F)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 467640381 LFWSUTIKLDEOOD-UHFFFAOYSA-N 430.461 1.477 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 470321176 RLIQZRYZOGRUFE-LBPRGKRZSA-N 436.515 1.217 30 10 IDEE CCc1nn(C)c(CC)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478056606 HRCVOFSRKMCXOY-UHFFFAOYSA-N 429.546 1.492 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478745000 KERYMDFEDJPMQC-NVXWUHKLSA-N 428.558 1.984 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)cs1 511079430 YFFKCOFMTJGTTL-UHFFFAOYSA-N 435.534 1.563 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)s1 519493381 ULFHJXKUBRNACG-CQSZACIVSA-N 431.583 1.740 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 522890861 SOFRBKGKAMOQIV-AWEZNQCLSA-N 436.540 1.350 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)n1 546918851 YJBVICKFYJHPGV-JOCHJYFZSA-N 447.518 1.623 30 10 IDEE C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)CC1 569439388 QGBNKYPTUODXNQ-FQEVSTJZSA-N 425.533 1.791 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 590914187 XYPHYYRGOQHMQX-INIZCTEOSA-N 442.497 1.026 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1Cc1ccccc1 611222458 VDCQGBNNZOHWFR-UHFFFAOYSA-N 444.438 1.621 30 10 IDEE CCc1ccccc1-n1cnnc1SCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 731886634 AGBTXALCZHRMQA-HNENSFHCSA-N 426.502 1.564 30 10 IDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)c1cc(C#N)ccc1C)C2=O 734291262 LHXNLIXJYWQZQT-UHFFFAOYSA-N 432.502 1.562 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCCC(=O)OC)c2=O)cn1 735068244 GFOAWKKCCVRILL-UHFFFAOYSA-N 430.530 1.198 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(CNS(C)(=O)=O)o1 754132425 ACOSZVCACLINGD-CQSZACIVSA-N 449.485 1.830 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OCC(F)(F)F)c1=O 758040357 JNEJNDQREAKLGZ-UHFFFAOYSA-N 447.438 1.266 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)CC2 760965089 XSXSWYQIJQPDJX-UHFFFAOYSA-N 429.498 1.580 30 10 IDEE COc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCc1ccc(Br)cc1 765584301 NGYCPMKIMUOXMT-UHFFFAOYSA-N 431.246 1.973 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 765695631 GJINONMOSDGTSK-GDBMZVCRSA-N 436.534 1.741 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(C)c2C2CC2)cc1 770778251 NKIFSLQCVUJHES-ULJHMMPZSA-N 444.517 1.688 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCC2CCN(CC#N)CC2)C1=O 771523424 HXSNYGHHCYCMKB-JOCHJYFZSA-N 427.505 1.122 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)CN1CCCCC1 771659476 LMHFWNFZYXSZAP-WMZOPIPTSA-N 436.578 1.247 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)CCN1C1CC1 778611381 HMVDDXSZWTZBHK-PBHICJAKSA-N 432.908 1.893 30 10 IDEE CS(=O)(=O)CCN1CCC(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 782965080 FAKUAZRXWXQSQM-UHFFFAOYSA-N 449.577 1.451 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 794581246 RVFCNBNGJZMPLM-MRXNPFEDSA-N 449.536 1.399 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C)[C@@H]1CCS(=O)(=O)C1 809864493 JTIDVSPPWPOXPM-HZPDHXFCSA-N 437.566 1.556 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCC1)c1cc[nH]n1 1141259727 CYPAHZJMIAWPHD-UHFFFAOYSA-N 437.497 1.599 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1150156638 AZTOESQPHQCPBZ-GFCCVEGCSA-N 449.257 1.984 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 1171950714 YASXJJPATMVVNJ-RUCARUNLSA-N 434.539 1.886 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)cc1OC 1208257039 HFNJNNTUICBOBV-UHFFFAOYSA-N 429.498 1.917 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC=C 1286289003 IYTFPYGQOOFPDR-CQSZACIVSA-N 426.502 1.653 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCOC 1286443058 WWQCKBKGEFLGRO-HXUWFJFHSA-N 434.566 1.485 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2([S@@](C)=O)CC2)CC1 1286489494 VDAKSPIWRLUJSV-SSEXGKCCSA-N 425.558 1.822 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)CCOC)CC1 1286489777 DXCKFGZOMCGKKJ-UHFFFAOYSA-N 427.553 1.707 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CS(C)(=O)=O)CC2)CC1 1286645303 AFALHNPDGKNMBN-OAHLLOKOSA-N 428.580 1.161 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286824604 FQOFQQBAGRFXOJ-GJZGRUSLSA-N 429.612 1.691 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCCCCC1 1288839606 CGAPVBXUUMARHN-XLIONFOSSA-N 437.614 1.894 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(CC)CCS(C)(=O)=O)C1 1296958462 GIDYRIIVQXKPTM-UHFFFAOYSA-N 447.561 1.618 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCC(OC)CC1 1300664921 WDXWDBBAFUFLAL-UHFFFAOYSA-N 429.569 1.654 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301485106 QZGNQBMHMOSMMD-BTYIYWSLSA-N 442.476 1.540 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301500330 LCQWHQGSAIRRQW-IBGZPJMESA-N 444.580 1.703 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301507011 SXTCGEGWEVSBBM-QFIPXVFZSA-N 426.521 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301586006 PGYJXMTVNIMNTD-OAHLLOKOSA-N 442.549 1.133 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C[C@H]1C 1301890103 GXUGPCLROTWTHA-GOSISDBHSA-N 440.548 1.515 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1302055830 WWIFUXIIGHQRLQ-MGPUTAFESA-N 430.513 1.285 30 10 IDEE CC(C)C(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302442795 DNAJQZUXJOTUQM-FQEVSTJZSA-N 436.564 1.603 30 10 IDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)s1 1304355838 HYAYWWSZEMKUPK-CJNGLKHVSA-N 438.579 1.768 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305680407 KQZOBMQCYFEMAK-XGIGFIBQSA-N 449.515 1.283 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1313497042 CUJDXFJKPKNTNB-KRWDZBQOSA-N 440.504 1.644 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1316257754 QNZJGJJVSOJAPU-SFHVURJKSA-N 425.493 1.084 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@H]4CCCC[C@@H]43)C2=O)cc1 1340125306 IFXKGWDBKQJMDK-SQNIBIBYSA-N 444.513 1.331 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCOCC1 1358881128 ZJIFILOVLNLZDM-KRWDZBQOSA-N 435.536 1.490 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@H]1C 1358948418 BZHJETZUYSYGEJ-SQNIBIBYSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1358964543 AWRUUPJVNCGWRR-HXUWFJFHSA-N 438.557 1.586 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1358987697 PDSIYXIECKWBGD-XTQSDGFTSA-N 444.495 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)C(=O)NC)CC1 1359044727 MYUFPDVRHAVWDA-QGZVFWFLSA-N 430.553 1.258 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1359070520 OJZAXJQDXOJYHF-WIYYLYMNSA-N 444.561 1.355 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1359084192 ZZUOWZZFUJERDO-OLZOCXBDSA-N 433.372 1.950 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)nc2)CC1 1359158269 LNIIORZYLCBGRK-UHFFFAOYSA-N 425.537 1.853 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359221538 FXPZYKNKXZJTBM-MRXNPFEDSA-N 431.497 1.376 30 10 IDEE O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(C(=O)NO)cc1 1448505014 WVXGDYFJRPDMAA-UHFFFAOYSA-N 434.470 1.447 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)c1 1457968097 AEABUFYOASOZBM-FQEVSTJZSA-N 442.541 1.162 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(COC)c(C(F)(F)F)c2)CC1 1476844247 AIBVZOKNSWWBBD-UHFFFAOYSA-N 434.440 1.469 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503374391 NEFGCRQOFABURG-QGZVFWFLSA-N 441.511 1.598 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1504123533 ACRHWCDWMXEOGT-OAQYLSRUSA-N 444.467 1.263 30 10 IDEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CC1 1505120161 ADXVXLOKTPESBQ-UHFFFAOYSA-N 445.545 1.515 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1505133895 GTTWUAYGYVRTQN-UHFFFAOYSA-N 433.534 1.372 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1507710411 FZWLZKZSNNOVJV-MRXNPFEDSA-N 436.509 1.462 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COCc2ccccc2)CC1 1507723591 NSVYDIVGPXMLAA-FPOVZHCZSA-N 436.560 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ncccc2N(C)C)CC1 1507738631 SRXRSFRUILOTLK-UHFFFAOYSA-N 447.547 1.154 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)[C@H](C)CCC 1507765495 SPNJGSWIVQKPGK-GQIGUUNPSA-N 438.598 1.433 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1507821080 TYFANLXRLNEGRD-CQSZACIVSA-N 441.583 1.222 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C 1507999155 YCBMBEUERUKNPL-UHFFFAOYSA-N 436.520 1.892 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1508135150 FCDRZRZWHDXNFY-HZPDHXFCSA-N 440.591 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1508137655 PFRWNINOPHAFEY-WBVHZDCISA-N 447.536 1.647 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1508140698 PPAFZIXNZDJKIP-UHFFFAOYSA-N 449.581 1.022 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCOC2)C1 1508147922 NKZPPGATEXDHDQ-HXUWFJFHSA-N 430.534 1.840 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1508313948 HRTVHYPXXRGLCH-FQEVSTJZSA-N 435.532 1.980 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(O)CCOCC1 1509001854 JJZRJEKFFPQMOG-UHFFFAOYSA-N 425.537 1.926 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1516845712 AYPIQLAFFWRZSQ-IBGZPJMESA-N 449.537 1.075 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1521129232 IWQRMQMVJQXLCT-IEBWSBKVSA-N 440.504 1.427 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)ccc1F 1529568140 IVXBWTJXBFMUEM-UKPHBRMFSA-N 439.509 1.887 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1539016752 VKSQTYFBRPQEKT-OALUTQOASA-N 449.621 1.673 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nccs2)CC1 1539446261 AMXFKKNCQWTIKI-HOTGVXAUSA-N 434.591 1.196 30 10 IDEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NCCOC)CC1 1539575041 VPAMCGBMGUGBAO-AWEZNQCLSA-N 443.390 1.585 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1539722147 LXTOEVVFLKPTHB-UHFFFAOYSA-N 425.555 1.120 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1540872518 RPZMPHSPXXPRML-UHFFFAOYSA-N 429.500 1.162 30 10 IDEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1547423639 FFWBYCDLDSJVRB-GOSISDBHSA-N 439.564 1.842 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnccc2OC)C[C@H]1O 1554545116 IPCAXIVQWUSOEK-IEBWSBKVSA-N 448.483 1.629 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1555558135 MWZMZPAWCCQAHA-QZTJIDSGSA-N 428.541 1.551 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2=O)cc1 1556171909 IRVFFFKPZUWVRN-FQEVSTJZSA-N 448.479 1.553 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)s1 1558655624 CYPWLEJGDGIHHB-CABCVRRESA-N 441.575 1.975 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)CC1 1559906946 BZQUDPHSCLHFBB-RTWAWAEBSA-N 448.608 1.548 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1587561344 CYTCHGGIRWQEFC-HUUCEWRRSA-N 432.550 1.144 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588055778 ZBORBJVYHRYWLY-PMACEKPBSA-N 449.621 1.675 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1588660215 SVNPQLZMTLAKCU-UHFFFAOYSA-N 445.951 1.890 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)n1 1588724060 TYUFBYJOECJLTJ-RBUKOAKNSA-N 430.553 1.598 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1588968279 HAXOTVFLFPRMDP-UHFFFAOYSA-N 444.580 1.429 30 10 IDEE CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(N)(=O)=O)CC1 1589125135 FUZMVEPSBMWUSP-MRXNPFEDSA-N 434.603 1.978 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594498805 XNYWQXXININWOR-GJZGRUSLSA-N 430.596 1.406 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595569578 JNYHSMBEEJGMJP-UHFFFAOYSA-N 426.569 1.205 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 1596143664 OLLXKINWUSOVGN-QGZVFWFLSA-N 431.489 1.764 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC#C[C@H]1CCCCO1 1606802473 RFEJSHPNBWPUPU-CRAIPNDOSA-N 440.949 1.562 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1C[C@@H]1C 1611706920 HUKCKXHSKQXBNF-ZOBUZTSGSA-N 444.565 1.138 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)C1=O 1616490983 JJLYDWMUABUXFO-GJZGRUSLSA-N 436.509 1.505 30 10 IDEE CN(CC1CCCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1618082025 SDKAGTOUYJEGKN-ZJYNUGOYSA-N 427.509 1.382 30 10 IDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1618416736 RHCCEPYXSKNRGE-CYBMUJFWSA-N 432.546 1.921 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@@H]1C 1619937573 OYPRPMJAGAQSOO-GHTZIAJQSA-N 440.548 1.779 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1620081096 SHOYFAIHQWCMOR-IEBWSBKVSA-N 440.504 1.107 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)C(=O)OCC 1622448689 ABUUCGTWCROVRX-HNNXBMFYSA-N 428.898 1.747 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1622964592 JLKNFQPLPPPEMD-LAUBAEHRSA-N 428.514 1.903 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCSCC(=O)OC 1628445825 OFOAZBHILVDHGW-CQSZACIVSA-N 427.548 1.306 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cn1 1632482888 LOOSCAIIOUZNSL-HKUYNNGSSA-N 434.431 1.421 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CCOCC1 1636967836 VVGHTMKRRCTQTQ-UHFFFAOYSA-N 444.536 1.859 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1 1640409315 NZFGTUABVNKSDO-MUUNZHRXSA-N 442.607 1.578 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1645680173 ZEXBMNLJTGDILV-JTSKRJEESA-N 425.570 1.968 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)c1 1648547945 KJHSLUYTHMKFGJ-AWEZNQCLSA-N 434.905 1.641 30 10 IDEE Cc1nc(SCC(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)c(C#N)c(C)c1C 1648583904 VBZZDYVCGGOOPK-MRXNPFEDSA-N 427.534 1.370 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1649668926 IBDODKYFBPVLFV-XSAFGROZSA-N 430.509 1.171 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1651805511 LTMOONCTMHAFNB-HYBUGGRVSA-N 444.535 1.714 30 10 IDEE Cc1nn(C)c(N2CCN(C[C@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)CC2)c1C#N 1653318676 JUBXIOQANHMWEB-QGZVFWFLSA-N 430.553 1.891 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC3(CC2)C[C@@H](O)CNC3=O)n(C2CCCC2)c1C 1654980901 CDXLEFFPKRSPTF-GOSISDBHSA-N 427.549 1.993 30 10 IDEE C#CCN(C1CSC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1663697023 KIYUSMZCBKYGOI-UHFFFAOYSA-N 428.601 1.991 30 10 IDEE COc1ccc([C@H](CNC(=O)NCC2(C#N)CCOCC2)N2CCOCC2)cc1OC 1673922328 HSUYUVALKOHKKP-SFHVURJKSA-N 432.521 1.697 30 10 IDEE C[C@]1([C@@H]2CCCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)COC(=O)N1 1682226615 NJJNCRGOHNNDMD-JBYIUTFZSA-N 425.489 1.579 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1689989919 JTVMKFOQSONOMD-MSOLQXFVSA-N 437.610 1.734 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1Cc1ccccc1 1690102915 XJABEYIVXMYARX-NHCUHLMSSA-N 436.560 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cnn(CCOC)c2)CC1 1690150765 ULNJYPSQBSOHIU-UHFFFAOYSA-N 425.537 1.088 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1690237289 XIHWVJJAIOSSFD-BEFAXECRSA-N 441.536 1.054 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOCC1 1690251376 UGIPYDJUYKQACY-WIYYLYMNSA-N 432.569 1.150 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1690345804 DDARUJYUVXMXSM-HNNXBMFYSA-N 427.914 1.529 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CC2)CC1 1690411531 OLTABAZODSGCAF-MRXNPFEDSA-N 441.623 1.909 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NCC)CC1 1690662599 BAWGHINBQJUEGQ-UHFFFAOYSA-N 427.509 1.107 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)[C@@H](C)C1=O 1692424036 HKZYIKYQVQEBPZ-SFHVURJKSA-N 440.548 1.909 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC(=O)N1C 1693775358 RLWXCFOLLNLFGS-IEBWSBKVSA-N 438.532 1.927 30 10 IDEE CN1C[C@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1696874073 CJNULWCJVZSLOC-RTBURBONSA-N 431.497 1.190 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1698217722 YAUMSOJRDJOKHH-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCS(=O)(=O)C2)c1 1705508000 OXANOZPZNDKBOC-QGZVFWFLSA-N 445.545 1.306 30 10 IDEE C#CCN(c1nnc(CC)n1CCCN1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1705570529 OBNIFPRCAGVSLD-LJQANCHMSA-N 427.574 1.920 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705571187 XPOWTPKEMVBKJI-UXHICEINSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC(O)CC1 1705589512 RXUGVUFJYUJIRW-UHFFFAOYSA-N 435.532 1.235 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)C(C)C)CC1 1705638227 CRZYJCGWQACDGH-HSZRJFAPSA-N 435.532 1.756 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1705675174 YGROCEJWWXENEJ-HRAATJIYSA-N 445.545 1.633 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705701573 CLIBOUDOOHMTCU-BJLQDIEVSA-N 427.553 1.964 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)C1 1705917092 UJWJDNHABBMXSF-MAUKXSAKSA-N 435.550 1.210 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)C1 1705917094 UJWJDNHABBMXSF-YJBOKZPZSA-N 435.550 1.210 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1705935313 NCYVDRFZNQDRCG-NRFANRHFSA-N 447.561 1.180 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC1 1712102839 HNVJEJKEOUZSTR-LJQANCHMSA-N 438.532 1.927 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722332210 GITVNYNNHPQYQL-LJQANCHMSA-N 445.545 1.676 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722343871 KOVIYIJGNLXPKL-URXFXBBRSA-N 439.560 1.615 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1722368494 RBNPVPJNNFXMBF-KRWDZBQOSA-N 449.577 1.649 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722369810 HHNXUVJZTUVURC-RBUKOAKNSA-N 437.610 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1722391741 SYKYYVJRMWDPPV-QHCPKHFHSA-N 427.549 1.700 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1722398072 WRIUXIZYAYXAAJ-SFHVURJKSA-N 431.562 1.264 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722410099 QNFJXODMZUGRHD-FUHWJXTLSA-N 431.566 1.342 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](COC)OC)CC1 1722430597 GDZIXNGOABZSTQ-FXAWDEMLSA-N 431.512 1.974 30 10 IDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722482402 ASXCEEIKSOCXSK-UHFFFAOYSA-N 443.309 1.835 30 10 IDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1722537896 HHSAPOKXWRKAER-UHFFFAOYSA-N 426.521 1.425 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2s1 1722692548 QPXIMFAHJWMTBC-UHFFFAOYSA-N 427.534 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722697098 VZHSGEJRYKVKBI-NRFANRHFSA-N 447.543 1.498 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722729254 HAVGFAKMWROOCW-DYESRHJHSA-N 447.561 1.249 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1722786338 IBKDJLWHPIGHNY-RLBWVDARSA-N 441.536 1.519 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC(F)F 1729071306 WAUNWHUNUNCFHP-AWEZNQCLSA-N 436.467 1.821 30 10 IDEE COCC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1730505718 RLOXZSKOZAORTG-KXBFYZLASA-N 442.561 1.927 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1730900185 BJJNLRKAQRZIDU-SFHVURJKSA-N 445.545 1.636 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCC(=O)N(C)C 1730955763 IHUJRJWVRDISFP-QRFRQXIXSA-N 445.568 1.047 30 10 IDEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1731186695 WZYICFYTEYCVQU-GOSISDBHSA-N 436.925 1.283 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740550132 PHZJQWVNGIEWBW-CHWSQXEVSA-N 426.468 1.847 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740590797 JSRAGEVAZBMORK-HZPDHXFCSA-N 448.549 1.678 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC 1740774379 RSTHSFXEQNOEKJ-MRXNPFEDSA-N 429.587 1.829 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740782261 JWNFWVJAHOLPEP-SIFCLUCFSA-N 437.566 1.860 30 10 IDEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1740808933 CPOCRRNJOVRRES-UHFFFAOYSA-N 427.896 1.706 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740952230 YASDDSUGQWOLAH-VQTJNVASSA-N 447.628 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740993495 CNDJWRDBWRPXGT-UHFFFAOYSA-N 448.471 1.651 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1741713990 NUQIUYCBPZAANK-AVYPCKFXSA-N 433.513 1.045 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1746536949 MLHAMIZYFSYZDH-RBUKOAKNSA-N 442.545 1.680 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCC 1748646701 BWPJNPAPEDLITG-CQSZACIVSA-N 431.566 1.531 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1748697327 FTGNYTHFAJMUSX-UHFFFAOYSA-N 443.596 1.354 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(CC)s1 1748855582 CYZQGQPNRKYLKS-UHFFFAOYSA-N 425.543 1.805 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748962881 SYQOCSDFXUUNMB-MSOLQXFVSA-N 440.552 1.369 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCC[C@@H]2CO)CC1 1748990279 GNEMOHUSWJWMPO-RTWAWAEBSA-N 430.597 1.512 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2OCC[C@H]2C)CC1 1749004731 MKKGCBUPBFDCRO-ZIFCJYIRSA-N 433.553 1.393 30 10 IDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1749627260 JHFGYXYAKAYDRM-VQTJNVASSA-N 427.549 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749663917 TYMQBRZXCMUUDK-UHFFFAOYSA-N 432.488 1.199 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749671483 BYCMCCUAPYQYHK-ROUUACIJSA-N 444.486 1.697 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760144696 YQIQXUHBPAOUNX-HXUWFJFHSA-N 438.532 1.902 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)N1CCOCC1 1760244448 WEKYDXHKTOFWFG-UHFFFAOYSA-N 448.527 1.747 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760412843 SNWKAOXSKUUSPV-IKGGRYGDSA-N 441.598 1.420 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(O)(C(F)(F)F)CC1 1760514944 PAIZIOOJAKARFE-UHFFFAOYSA-N 446.474 1.392 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1760551388 CYSHVNVGBXGPTM-HNNXBMFYSA-N 430.534 1.236 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCCN(C(C)=O)CC1 1760556594 JGUCSTMIVXHMOE-UHFFFAOYSA-N 437.591 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760557867 YHVNRRMUDCRWGY-SJORKVTESA-N 437.566 1.546 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1761120881 DWZZUZNYLWSTMK-UHFFFAOYSA-N 431.566 1.144 30 10 IDEE CCCN(CC)CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764302339 XFDISPCJXZKZBP-UHFFFAOYSA-N 440.552 1.683 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)C[C@H]1O 1767919789 FNEUFUUCDRSSCB-WOJBJXKFSA-N 438.532 1.663 30 10 IDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)c1occc1C 1767942120 ATOQVMUCVAKUGE-GOSISDBHSA-N 441.536 1.713 30 10 IDEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1769661363 HIKFUDCPGWEAFW-BZUAXINKSA-N 442.586 1.268 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1770145938 PKERVGNFZKFWGW-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1770327374 XEVQAZJRRPOZFN-UHFFFAOYSA-N 435.575 1.600 30 10 IDEE CO[C@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1770580555 CHZSWIFJMJYQFV-UXHICEINSA-N 438.532 1.927 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@@H]1C 1772567211 NZIZYXASLRFAGX-DLBZAZTESA-N 448.568 1.920 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1849308615 JJORSKQUNNBRDP-UHFFFAOYSA-N 444.488 1.783 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CCC(=O)N3Cc3ccccc3)CC2)nc1 1851208651 BTGWTGLOEULYOG-OAQYLSRUSA-N 433.512 1.810 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C(=O)C2)s1 1853612532 JKQRVCYIMRDVCM-CQSZACIVSA-N 426.473 1.983 30 10 IDEE N#Cc1cc(C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)ccn1 1854454609 DNNIXKQIVHYMNB-MRXNPFEDSA-N 430.530 1.375 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1 1855711859 IVPJXFBPODMALS-CRAIPNDOSA-N 436.509 1.199 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1=O 1855961659 RNNBTJYOBMUKJM-CQSZACIVSA-N 443.928 1.879 30 10 IDEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN(C)C)cc1 1890724709 LWSQYNMVDKXRJV-GOSISDBHSA-N 436.534 1.089 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)OC(C)(C)C)C1 1907416210 REZPOECOXRKRCM-DOMZBBRYSA-N 425.345 1.840 30 10 IDEE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010394614 DPYYXZAHISWUMS-ZDUSSCGKSA-N 438.359 1.971 30 10 IDEE COC1(CCNS(=O)(=O)c2ccc(C#N)nc2)CN(C(=O)OCc2ccccc2)C1 2174779998 PCCIEIJBMQLLPP-UHFFFAOYSA-N 430.486 1.659 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC)B1OC(C)(C)C(C)(C)O1 2247905464 UHCKRHNWEGHUII-LSDHHAIUSA-N 446.375 1.728 30 10 IDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2247951042 GZKHLDXWOZFBDZ-UHFFFAOYSA-N 438.355 1.883 30 10 IDEE C=C(CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2247953074 RIUIVMDSVWNBRS-OAHLLOKOSA-N 446.375 1.729 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)COC1 2248433447 LGRBFQKFZRZGOK-UHFFFAOYSA-N 438.355 1.957 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2250779467 SYQOZPPFISFXKY-ZDUSSCGKSA-N 447.479 1.636 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255628384 HLDQEUOLEDOKCE-STQMWFEESA-N 438.309 1.786 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255653830 OMJXHWJPDVANDH-AWEZNQCLSA-N 438.330 1.927 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2255832992 VNFCQOVJSCDTOJ-LSDHHAIUSA-N 434.346 1.988 30 10 IDEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255875197 UAVMDHVBWSKJSA-CYBMUJFWSA-N 437.350 1.442 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267171621 NFRNHGQYTCBEQU-GJZGRUSLSA-N 448.329 1.188 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267545194 FTOCSNNISJFBKY-UONOGXRCSA-N 449.361 1.490 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267547872 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439.545 1.903 30 10 IDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1178460204 DWQGVVDQIZCKHH-KRWDZBQOSA-N 429.502 1.852 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 1193564563 TVFNNEGMMUDBEE-UHFFFAOYSA-N 438.509 1.393 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286349529 JSQOIAZFFHNTOU-KRWDZBQOSA-N 447.536 1.845 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286387712 UOUDZTFYFTYRQY-GOSISDBHSA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286394931 QGFLZDTWPKHNGF-QUCCMNQESA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1286416359 YQAUVIYYAIPKOD-QFIPXVFZSA-N 448.571 1.494 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCOCC1 1286437594 JSPZQSLGFMPZFN-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286503576 IESMBTFDHURRNE-UHFFFAOYSA-N 436.545 1.460 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1286513285 SHLBXTZQXULSCY-UHFFFAOYSA-N 432.594 1.213 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SCC)C1 1286779258 HIRMKVKOOZWRSE-GJZGRUSLSA-N 444.627 1.303 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2ccccc2)CC1 1286780824 ISGQGPKRPSCKPO-UHFFFAOYSA-N 426.521 1.207 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1286816062 FEEKCWFJXAJNDK-UHFFFAOYSA-N 440.529 1.229 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](OCC3CC3)C2)n1Cc1ccc(C#N)o1 1288843983 LJVVTAHLXCIUKK-YOEHRIQHSA-N 448.549 1.797 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 1290342093 COKVBOKQQXUUMA-DYESRHJHSA-N 442.541 1.368 30 10 IDEE CC(C)(C)OC(=O)[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCO1 1290636553 QGSNJPRYKQNLAD-NRFANRHFSA-N 449.529 1.282 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1291306788 GSGVZYCVSWIZNA-LJQANCHMSA-N 439.564 1.306 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1293762684 QXCRYYCRYZLPNT-XUTLUUPISA-N 443.552 1.813 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(NC(C)=O)nc1 1300287133 USWHKHXKPOGZRL-OAHLLOKOSA-N 442.487 1.780 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1300363635 FUDMLUYEELTUIQ-UTKZUKDTSA-N 436.578 1.758 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1300603690 WWMFFWMSFOGYRR-NZQKXSOJSA-N 432.613 1.804 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1300631109 LIZKSBHXLBPVED-GOSISDBHSA-N 440.614 1.189 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCn2ccnc2C)CC1 1300685896 UOOJVERCPMOPLC-QHCPKHFHSA-N 441.580 1.671 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCCCC2)CC1 1300710725 JLFWCETXZCYOGR-UHFFFAOYSA-N 430.553 1.077 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2snnc2C)CC1 1300722489 KHDKQLHRGAMAPA-INIZCTEOSA-N 429.550 1.694 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2ccnc2C)CC1 1300732199 YZHDXBDUCDLHKT-UHFFFAOYSA-N 449.563 1.311 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300767086 QLJIPSFOQXUQHC-UHFFFAOYSA-N 432.619 1.507 30 10 IDEE C=C(Cl)Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1301060198 CHYWEWMFZIXULY-QAPCUYQASA-N 447.989 1.448 30 10 IDEE COC(=O)C(C)(C)n1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1301510276 UPUJZIZKMNDLEL-UHFFFAOYSA-N 433.490 1.249 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301515791 ZGQDPEQJWKDZEN-JOCHJYFZSA-N 426.521 1.430 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1301555695 YKMIYGCDAXCHOR-QGZVFWFLSA-N 440.529 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1301586821 OOYQXAMDKVNMTC-UHFFFAOYSA-N 445.593 1.728 30 10 IDEE N#Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)co1 1350495192 DVOMGKRLXHZJLG-UHFFFAOYSA-N 446.485 1.261 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1358913693 VTFHLCWZUHYEPH-HKUYNNGSSA-N 446.577 1.778 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358962913 ZATDHUCLMRUCOH-QZTJIDSGSA-N 427.530 1.213 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCc1cnn(C)n1 1358968200 BWNRPOUIRWNVQZ-UHFFFAOYSA-N 430.516 1.981 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCCn1cc(Br)cn1 1359024042 DJBWFKPRRVAHRV-OAHLLOKOSA-N 437.342 1.917 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CCC)OC)CC1 1359031766 OOLNGBKURALOOP-IBGZPJMESA-N 445.589 1.919 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359270923 GIVWIIYBZUOGIZ-FGTMMUONSA-N 448.593 1.612 30 10 IDEE CN(C)c1ncc(Br)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1435456152 QZHXHXUWHAKXRD-LLVKDONJSA-N 439.314 1.890 30 10 IDEE C[C@]1(C#N)CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1437901707 PMZVNKRORUEEKP-QGZVFWFLSA-N 442.335 1.846 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C(=O)c4c(Cl)cccc4S3(=O)=O)CC2)o1 1459225780 DPKQOGJQMLLPNA-UHFFFAOYSA-N 449.876 1.001 30 10 IDEE N#C[C@@]12CN(CCS(=O)(=O)c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1460822835 CHOJHQPWDCGRIA-WFASDCNBSA-N 433.349 1.093 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1460855194 CASPDVNBQKKYEI-RDPSFJRHSA-N 447.495 1.820 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)C2CC2)c1 1464290859 RBSSZYBKDIILRW-JZJYNLBNSA-N 427.548 1.795 30 10 IDEE C#CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)CCOCC1 1464566909 HXFNAWDNTYDESL-UHFFFAOYSA-N 430.548 1.698 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1464911045 UXROXGUDVBMFQX-UHFFFAOYSA-N 438.532 1.562 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CCCN(CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1468465203 UVENUNLVFDBGGQ-AWEZNQCLSA-N 432.468 1.801 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504023493 NFYCGMKFGLONDF-GAJRUTHPSA-N 425.493 1.805 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1505115835 HTSAGLCGWUHHET-HNNXBMFYSA-N 438.410 1.632 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1507616564 KWSBCNKRUGBGGW-DZGCQCFKSA-N 438.579 1.249 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507623684 VQPFLBIPGIZPKX-HZPDHXFCSA-N 444.623 1.632 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1507633290 FNWIFBYPDLQYOI-IBGZPJMESA-N 443.573 1.655 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507633801 IDBYXIAHNSRUOE-QGZVFWFLSA-N 432.546 1.923 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H]1C 1507647403 DJVSJYAYEJAYNL-GOSISDBHSA-N 429.528 1.749 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](COC)OC)CC1 1507718931 WXXVPGFYCYYIPX-FQEVSTJZSA-N 429.521 1.379 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507853042 GHIYYOXMAGOHAM-HIFRSBDPSA-N 448.886 1.457 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSCC)CC1 1507885099 RPWKXOVKOZEMIA-INIZCTEOSA-N 429.612 1.911 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1517624592 DPHYHGXHOZDDIQ-LJQANCHMSA-N 444.561 1.619 30 10 IDEE COCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519067832 PMSMSQJIQLONJT-UHFFFAOYSA-N 435.536 1.925 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@](C)(C#N)C2)c1 1533644359 FKQIWAGIRCCQBA-OAQYLSRUSA-N 434.562 1.929 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539117275 SWMGGEPAAVKFOA-GOSISDBHSA-N 429.569 1.023 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1539127742 NWTXESBWNOXISW-UHFFFAOYSA-N 434.548 1.188 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@H]2COCCO2)n1 1539424654 VCQYORSKZSNNQH-LJQANCHMSA-N 430.553 1.765 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCC[C@H]2C)CC1 1539483424 YYNQVZWSHKUWOY-HOYKHHGWSA-N 436.560 1.781 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1539722118 LAQNRIVOGHXMEE-ROUUACIJSA-N 442.520 1.902 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1539722119 LAQNRIVOGHXMEE-ZWKOTPCHSA-N 442.520 1.902 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540021030 ZMMAOVAKWXMRLP-XMSQKQJNSA-N 433.553 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540902550 LWYNLIHPRKUQQH-OWCLPIDISA-N 448.611 1.031 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1541053889 HXUPZVJSMFDLAW-BVZALQNUSA-N 438.532 1.709 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)C 1541842766 DQJLSLJUMRKFRC-SJORKVTESA-N 434.552 1.610 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1555667966 BNWVRNTWKDRURC-NVXWUHKLSA-N 432.500 1.984 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)C1=O 1557914164 CHENQXLRPXKFTB-RPWUZVMVSA-N 447.495 1.941 30 10 IDEE Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2=O 1566231607 RCDWBJXVDBMKPD-LSDHHAIUSA-N 426.473 1.951 30 10 IDEE COc1ncc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc1C(N)=O 1566378381 IRWQWNIDYLGTRO-UHFFFAOYSA-N 430.262 1.898 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)CC2)c1C#N 1584061888 MSJRSBDIOSXPKV-HNNXBMFYSA-N 447.561 1.552 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 1585183699 UBSPCWHCFFZZRM-DLBZAZTESA-N 439.476 1.506 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)(C)C 1587921901 MBLCLTOJSSKNON-UHFFFAOYSA-N 445.593 1.778 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588050326 RITIOSKNECORJG-HNNXBMFYSA-N 432.550 1.205 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1588064616 LLONCMPKXALOCC-QGZVFWFLSA-N 430.530 1.620 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OCC 1588121170 CDMQOAAQQUTRKC-CQSZACIVSA-N 426.878 1.798 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1588314967 WPBYDSLMJALARV-UHFFFAOYSA-N 449.559 1.498 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1593694818 ALVKGLISPCVJKU-FUHWJXTLSA-N 441.598 1.876 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1594625087 DDOCWWIDORSAQK-JKSUJKDBSA-N 430.596 1.550 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1594813482 UFVVSYWRJRNKHF-OALUTQOASA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595476830 NUFKHHMUMXJEFK-RDJZCZTQSA-N 442.495 1.670 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(N)=O)c2)C1 1595713626 BTPXEDBBOLCWLQ-GOSISDBHSA-N 435.488 1.429 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)OC 1596243342 GGVHSJUHSJBDQT-ZUKORNFRSA-N 427.501 1.804 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3(C#N)CCSCC3)CS(=O)(=O)[C@H]2C1 1596303120 IXRALEPEMOTAKS-KFWWJZLASA-N 443.591 1.562 30 10 IDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNc1ccc(C#N)cn1 1597019417 GWWIPMRQLZVKFK-UHFFFAOYSA-N 444.517 1.457 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1597769648 KZFYEWFDQLANOY-IXDOHACOSA-N 443.566 1.768 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 1598099498 MSNOUTCKFLSSLU-MRXNPFEDSA-N 430.509 1.245 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F 1621673602 VTILRQYGDBSWIB-GWQKEKGPSA-N 444.478 1.400 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@]1(OCCO)CCOC1 1628967075 KYUAHDBMEQPLPG-WMZHIEFXSA-N 445.516 1.677 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCN(C2CCOCC2)CC1 1629063387 QIQMZWMFPJCFLF-MRXNPFEDSA-N 434.562 1.232 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1632082598 CPFHBTRKEJXXQM-BTYIYWSLSA-N 426.510 1.225 30 10 IDEE CN1C[C@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1632183711 RBNNSCRZIJQTQL-MSOLQXFVSA-N 428.489 1.536 30 10 IDEE C#C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C1CCOCC1 1633417096 AKRMCPHJMGPYAX-WMZOPIPTSA-N 440.949 1.956 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C(=O)OC 1635158736 JDHWSSAQWIGPTF-IAGOWNOFSA-N 436.509 1.929 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 1639088484 CXAAUAJKSRIYJE-FUHWJXTLSA-N 433.530 1.680 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CNC1(C(=O)N2CCOCC2)CCCCC1 1648604857 HTRIKQMQSKLOIS-UHFFFAOYSA-N 436.516 1.834 30 10 IDEE Cn1nccc1C1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1655488941 UFKRCWDRSRSOKY-HXUWFJFHSA-N 440.523 1.252 30 10 IDEE C#CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 1659571472 XBAYCGILMAMGJW-UHFFFAOYSA-N 441.553 1.133 30 10 IDEE COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)S(=O)(=O)N(C)CCC#N 1669334430 DOUKYFYIWOVWGA-CQSZACIVSA-N 434.312 1.694 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1689829356 XMUYAYDUYPYOLR-STQMWFEESA-N 426.930 1.474 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 1689980266 OYCBXHRHGRNEKB-INIZCTEOSA-N 430.530 1.979 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CN(C(=O)OC(C)(C)C)C1 1690030493 VZAUPFGSIBYLRP-OALUTQOASA-N 443.548 1.942 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690042131 VTIBKHMQQVTDIC-QUCCMNQESA-N 440.573 1.940 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CCCO 1690066999 QHNFQSVFOBXXPR-HXUWFJFHSA-N 435.536 1.227 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCN(C(C)C)CC1 1690083033 XYGONSYKJRKRAZ-UHFFFAOYSA-N 444.605 1.964 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2OC)CC1 1690113696 QXLNXKKGJIYIBC-HSZRJFAPSA-N 425.533 1.742 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC=CO2)CC1 1690135616 ZWCMIANYNQEIJN-GOSISDBHSA-N 426.521 1.173 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690484808 DTLPANUAAZJWHY-ROUUACIJSA-N 437.610 1.836 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC=CCC1 1690661658 COKRBHBNJFGCMV-UHFFFAOYSA-N 429.550 1.615 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690672814 FAUPTNDUEKVNKH-MRXNPFEDSA-N 430.896 1.465 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1690674697 BMTTULPBKWIJAK-UHFFFAOYSA-N 436.560 1.957 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)C1 1690709631 JENBTSDTPPWEPR-SFHVURJKSA-N 432.550 1.081 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1690720983 WQUNXPYUPACWJF-OAHLLOKOSA-N 428.518 1.084 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1690731188 CALYHBAEZATABA-UHFFFAOYSA-N 448.637 1.982 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1691512627 LIKSDHAUABMSLH-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1692526801 ZKBPYVBEEZXFSI-QRWLVFNGSA-N 430.488 1.259 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1694604217 BIMQHDMRBKHLJO-CQSZACIVSA-N 448.597 1.535 30 10 IDEE CS(=O)(=O)CCOCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698309364 NIBJRSYCKTWDJK-SFHVURJKSA-N 436.582 1.173 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1705489425 PETNOQMRGVUGQW-QVKFZJNVSA-N 427.530 1.444 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1705551267 KKRYEDRWKXELLC-MRXNPFEDSA-N 429.502 1.255 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1705564251 BJHIPYSYOWHWQV-WOJBJXKFSA-N 449.621 1.409 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(C)COC2)CC1 1705633881 AUZQJFTZZZKIAO-UHFFFAOYSA-N 441.532 1.763 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2=O)CC1 1705780365 GLSNCOZDJDMDMW-MRXNPFEDSA-N 438.598 1.693 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705827175 XFCLLFNYQKASGX-INIZCTEOSA-N 447.561 1.608 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1705879732 JOTXZTLRZYUKAK-UHFFFAOYSA-N 446.596 1.798 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)C1 1705924111 AZQQGJRKONKDFZ-CEXWTWQISA-N 437.610 1.693 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1706064077 NBMRUDZLNLEOFN-INIZCTEOSA-N 439.520 1.312 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1706938701 QOBUPQKPUPUOKG-HSZRJFAPSA-N 435.532 1.825 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3(S(C)(=O)=O)CCCC3)CC2)c1C#N 1707807581 FZDCDSXQFWIIDV-UHFFFAOYSA-N 446.581 1.184 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1 1709191697 HBZZXMJEXSRZFL-JXFKEZNVSA-N 437.548 1.926 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1710009745 TXJYUCODDFBTER-PWIZWCRZSA-N 440.548 1.907 30 10 IDEE COc1cc(F)cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1711684766 BHVVFKFCICXQAS-KRWDZBQOSA-N 437.435 1.850 30 10 IDEE CS(=O)(=O)CCCCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712695934 LRIIENUYULZFIL-UHFFFAOYSA-N 443.577 1.964 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC)c1OC 1722386127 WEQHZVZUBFNWSB-UHFFFAOYSA-N 437.500 1.547 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC1 1722386945 CFFOSVMLZZMCIT-UHFFFAOYSA-N 433.516 1.253 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC[S@](=O)CC 1722420760 LDKOTMRRNFEWTF-RUZDIDTESA-N 428.356 1.890 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(CS(C)(=O)=O)c1 1722427111 GUWOIAFNGSGDFO-LJQANCHMSA-N 432.546 1.809 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCOCC2)n1 1722429957 VRWPKLHYRQUVBL-IBGZPJMESA-N 441.536 1.139 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(C)CCCS2)CC1 1722446124 NVERBMZVJWVUKZ-OAQYLSRUSA-N 427.578 1.930 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCCCC2)CC1 1722449456 SJQFEDDBJDMZHH-UHFFFAOYSA-N 436.560 1.925 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722700385 GWXVOSQSJRCNDD-WOJBJXKFSA-N 439.564 1.113 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722730422 RBIYHBQGQQIRAV-HZPDHXFCSA-N 425.555 1.005 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1c(O)nc2ccccc21 1730875280 KXCWDHCMAXROOY-JKSUJKDBSA-N 441.492 1.486 30 10 IDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740590180 BLBYBDMVVHVARY-UHFFFAOYSA-N 447.609 1.833 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1740591372 OOGYIRYYNJKOSV-NXHRZFHOSA-N 437.566 1.028 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1 1740646049 PINVFLXGFPGRMR-ROUUACIJSA-N 429.546 1.819 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1740689015 XXMSODMUPKULLV-UHFFFAOYSA-N 425.489 1.356 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCOC2)CC1 1740699521 JYBZNUAETHVIHF-QHCPKHFHSA-N 425.533 1.381 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CC1 1740699689 PMNJEXBHXKDEMQ-UHFFFAOYSA-N 442.951 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1740703418 RRGSXUHNXDFYAV-UHFFFAOYSA-N 445.545 1.035 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 1740704361 LZKDBKIVLHGJNL-SJORKVTESA-N 425.537 1.460 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740715942 IBKQXGFLFZKSOP-LSDHHAIUSA-N 445.549 1.680 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1740774574 VPDPGSUIFCSDQG-MSOLQXFVSA-N 448.593 1.983 30 10 IDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740875601 GPKVCBHSECXRKY-IBGZPJMESA-N 432.569 1.119 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1740930125 NHXPWYYVXGHUKT-UHFFFAOYSA-N 433.516 1.897 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(N)=O)C1 1740988056 RUMDLRBJHYNMHA-INIZCTEOSA-N 443.529 1.994 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1741920580 MJGXJFAOWQVSQE-VLIAUNLRSA-N 449.581 1.029 30 10 IDEE CCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1746502897 GGZJNJOFKYDXGP-JOCHJYFZSA-N 439.495 1.754 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC(=O)NC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1746685103 MQRYVNHPDYQAER-QFIPXVFZSA-N 442.520 1.796 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1747971437 CUVBJNGHIGTZEC-UHFFFAOYSA-N 439.564 1.307 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748814785 JCBXXDZRQZFJGV-ZWKOTPCHSA-N 436.578 1.842 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748819463 OZTSEAXCVASYKT-OALUTQOASA-N 431.562 1.706 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1748825264 XCWOMWLJEKVLPU-QGZVFWFLSA-N 436.509 1.659 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749026280 JTWZHWFQMSQZRD-QGZVFWFLSA-N 426.546 1.876 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749127340 KUTMZVRTAYYSFT-XCJLJZCSSA-N 446.596 1.757 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749170576 PMIYYKQXGCXXGL-JKSUJKDBSA-N 427.571 1.486 30 10 IDEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749183226 SECUCLCEYBCEST-UHFFFAOYSA-N 426.521 1.703 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1749429387 LCTHKSGNGZICIM-CVEARBPZSA-N 426.525 1.593 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1749629927 KXUFZTGLVXJKKG-AEFFLSMTSA-N 435.594 1.841 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@H]21 1750157365 CLBWTXMQHAAAKH-IAAWFNIWSA-N 428.537 1.821 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1752313376 ZFOFUHJEUDMGGM-DSGGYQJVSA-N 433.472 1.568 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1760160748 MGZHBXXDAGGYSG-HNNXBMFYSA-N 433.463 1.351 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC(F)F)c1 1760162936 KCGKUJFOVKRJIV-GFCCVEGCSA-N 443.476 1.616 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)N1CCOCC1 1760168062 MRRMOQYZMSSMRT-HXUWFJFHSA-N 435.536 1.347 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760178874 DJPCDMQVGHGRPD-QGZVFWFLSA-N 433.578 1.721 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760189359 IFEZNQSBHDOECD-UGKGYDQZSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1760202153 UXPPUZFJQWCFRE-GOSISDBHSA-N 437.500 1.571 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760203182 XTGDBWIIRHCRFB-AQNXPRMDSA-N 445.589 1.797 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760217393 AAMXXVZJJPEQDW-HXUWFJFHSA-N 448.527 1.207 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)N(C)C)CC1 1760256725 JKEXWXCOBSQEAH-MRXNPFEDSA-N 430.940 1.915 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1760259903 RIYLARPLEYXQIS-QGZVFWFLSA-N 426.496 1.705 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760504544 SXIPBQYINHKPQK-LJQANCHMSA-N 440.953 1.787 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(F)F)CC1 1760526421 NQDFIHKETAPCCT-UHFFFAOYSA-N 434.491 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC(C)(C)C1 1760548763 ORQVLNOKLOUUJS-GJZGRUSLSA-N 447.627 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760553788 IJYPFYJEAWDPJJ-UHFFFAOYSA-N 438.623 1.760 30 10 IDEE CC(C)(C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760725867 XKEDCOYBHZRHIO-VHEBQXMUSA-N 443.552 1.584 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1764696774 FWZWRLMKFQYITA-UHFFFAOYSA-N 439.564 1.985 30 10 IDEE CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)C1CCC1 1764789109 SMPOSNCVDDESTD-XBOAPZAJSA-N 441.536 1.771 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1765914582 YFMRHHBTAHMFEI-BTYIYWSLSA-N 444.492 1.720 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1769441204 FFGALKXJSRLDRT-QGZVFWFLSA-N 438.488 1.254 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@@H]2CO)C1 1771529282 KSQDGYJBZSTNON-DENIHFKCSA-N 427.528 1.943 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC(Oc3cccnc3C#N)C2)c1 1849819185 REXSPTHUMSSNLM-IBGZPJMESA-N 426.498 1.705 30 10 IDEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCC#CCN3CCOCC3)cc2)C1 1850335008 RDSDNAMDBDXRFT-OALUTQOASA-N 433.574 1.419 30 10 IDEE C[C@@H]1COCCN1C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc(F)cc1F 1851173787 ZFRPBIDMZNOIOB-KUHUBIRLSA-N 449.479 1.973 30 10 IDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)c1 1853068034 LRKBKSHMHJXDAR-HNNXBMFYSA-N 433.472 1.701 30 10 IDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@H](C)N3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1854781152 BJSBPBUEHBNHIX-DOTOQJQBSA-N 431.514 1.389 30 10 IDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1=O)CC2 1855022733 HHIHBMCCGVNXIO-RDJZCZTQSA-N 428.924 1.709 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)C(=O)C12CCCCC2 1856282568 SCWDHNNIPZDRQY-QGZVFWFLSA-N 431.514 1.800 30 10 IDEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870909446 ZPZQULYCPQSCRD-UHFFFAOYSA-N 435.502 1.624 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1=O 1874340790 UNYSVYQYKCJRHP-ANKPHQHTSA-N 448.505 1.973 30 10 IDEE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N(C)C1CN(c2nccnc2C#N)C1 1891682891 DAMRALMCQSVKHJ-UHFFFAOYSA-N 437.529 1.719 30 10 IDEE C#CCn1ncc(N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2106012289 YXPFFBDJGSRTOE-YPMHNXCESA-N 427.299 1.733 30 10 IDEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@@H]1CCS(=O)(=O)C1 2116072180 ABSOOEVIHWCZDL-GFCCVEGCSA-N 431.161 1.767 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124537534 ZDDNCRSPKYVLRV-OAHLLOKOSA-N 447.345 1.313 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2243387307 RKJJLQPRVOBDEJ-SJORKVTESA-N 440.309 1.896 30 10 IDEE CN(CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2247879701 XFBLWOJJLJRVPA-UHFFFAOYSA-N 441.359 1.526 30 10 IDEE Cc1nc(S(=O)(=O)N(CC#N)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2247902397 VYMFCLAVYOLYLO-UHFFFAOYSA-N 430.339 1.742 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255816756 KQZAWTWLZKYWDB-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255841976 LHTGDZJWKBWLJZ-CQSZACIVSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2256742443 WEYKYDKXCMNSFK-OAQYLSRUSA-N 433.314 1.691 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267005767 OPTQMOCIKKZJCM-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE COC(=O)[C@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2268666439 JBRSFLWHMAHFSD-ZDUSSCGKSA-N 449.313 1.776 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268681165 PEQDBRFEVFJPIR-JOCHJYFZSA-N 447.341 1.939 30 10 IDEE COC[C@H](O)CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311860 NZKUZOIZMAKJFP-SNVBAGLBSA-N 425.765 1.329 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2315534309 OHVJFMYOCHPTEA-STQMWFEESA-N 432.330 1.314 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)O 2337287548 MJKIIOPTUOGQAX-MRXNPFEDSA-N 442.325 1.034 30 10 IDEE Cn1nc(Br)c(Br)c1[C@H](C#CC(C)(C)S(C)(=O)=O)NN 2365195166 ZHSJDXNWSSNKPV-ZETCQYMHSA-N 428.150 1.276 30 10 IDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2365203178 RSUDQLKLZAMRDY-KNQAVFIVSA-N 436.574 1.955 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)cc2C1=O 27128552 TWNNMSCXKGMMLT-UHFFFAOYSA-N 432.480 1.865 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCc2nnc(C(F)(F)F)o2)n[nH]1 59888345 KRJUUYVOBILHKV-BLLMUTORSA-N 431.404 1.750 30 10 IDEE N#Cc1cccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccncc3)C3(CCOCC3)C2)c1 169756667 FSCYSLDZHKAKMJ-FQEVSTJZSA-N 440.525 1.687 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 440380381 JVMZZPSVGNEWFQ-UHFFFAOYSA-N 436.468 1.778 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(C(C)=O)C[C@@H]3C)c2)c1 440585701 UDZXCXRDRLLOOB-KRWDZBQOSA-N 447.491 1.891 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 462446356 PSZVYQPSBQNIHG-UHFFFAOYSA-N 445.444 1.671 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 465198661 XPANEAVVWUACTM-JKSUJKDBSA-N 442.545 1.439 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CC)[C@H]2CN(Cc3ccccc3)CCO2)CC1 474514255 IVBCTJLDOPANFJ-FCHUYYIVSA-N 443.592 1.295 30 10 IDEE CS[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1N1CCCC1 484622883 CSRFUZMVQIHRNP-WSTZPKSXSA-N 433.647 1.969 30 10 IDEE Cc1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCC(=O)O 486051373 HJIDAKYQIAPYOI-SFHVURJKSA-N 443.481 1.410 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 508857879 QAWXDMPVBHOJLV-APWZRJJASA-N 444.511 1.840 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508886201 YABLLHAWRNRLGC-OAHLLOKOSA-N 437.953 1.918 30 10 IDEE C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(c2nccn(C)c2=O)CC1 508936280 QMFYSFNHZKDTJK-UHFFFAOYSA-N 430.516 1.957 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 525467065 VLQTZIDNFVLBNG-HXUWFJFHSA-N 445.545 1.665 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2csc(Cl)c2Cl)c(=O)n1C[C@H]1CCCO1 572700778 IODXBTGQTBVIHI-SNVBAGLBSA-N 444.365 1.706 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 577132415 OQQLBXHXGGFZSQ-LRMKFPBYSA-N 429.448 1.475 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CNc2ccc(OC)c(-n3cnnn3)c2)nc1C 586263754 GEAYASLOFYWDJX-UHFFFAOYSA-N 429.462 1.829 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCN2CCOCC2)c1=O 608474435 RRXLVDCJZDIFAB-UHFFFAOYSA-N 427.526 1.016 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(F)c1 609253865 OELMMGZGHMLWQH-UHFFFAOYSA-N 447.448 1.822 30 10 IDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1C(N)=O 609554725 GJGOELUWNRRTDX-UHFFFAOYSA-N 427.486 1.504 30 10 IDEE C#CCN(C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 729335972 YFBMQAMUKWBULA-QGZVFWFLSA-N 426.560 1.167 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 733675633 IGBQHVLRDGFKSV-OAQYLSRUSA-N 448.504 1.941 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC(F)F)CC1 747201754 IERHXWZLJKJKEO-UHFFFAOYSA-N 428.505 1.695 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)C1 757587800 BBZIXIGFBLQFGW-CEEVZKBLSA-N 437.566 1.587 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccco2)cn1 763463504 ZREKLLMUCNUMKG-KRWDZBQOSA-N 432.550 1.738 30 10 IDEE N#C[C@@H](C(=O)C[C@H]1COC(=O)C1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 766254101 BKULNBCACWFXJR-PBHICJAKSA-N 433.486 1.462 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cc[nH]n1 772251227 CCBRZXFIUFEJLG-CQSZACIVSA-N 449.458 1.753 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCN1CCNC(=O)C1 781103249 OVRIBBXXSPQUPO-QGZVFWFLSA-N 429.546 1.027 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1 788887347 WOWLJNOTEZHRIB-AWEZNQCLSA-N 439.511 1.729 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)n1 789063327 JTTLIJUNHWGQBE-UHFFFAOYSA-N 425.537 1.750 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cc(Cl)ccc1N1CCOCC1)c1cc[nH]n1 799015096 RKZCYCCEAYAGJD-UHFFFAOYSA-N 449.895 1.500 30 10 IDEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 803851118 ZNFASXKYOJPMKV-NTUHNPAUSA-N 440.481 1.255 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCCCSCC#N 808654371 NUZKGXPXPNMDFF-UHFFFAOYSA-N 441.575 1.825 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 809893915 WFAGLPAOSZYWSN-CABCVRRESA-N 434.497 1.413 30 10 IDEE CN1C(=O)N(CC(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)C(=O)C12CCCCC2 916964522 FIQQWBZYJOXUOQ-HNNXBMFYSA-N 440.456 1.702 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)CC1 920606349 AJUSZLKMZPMBLX-BJCXIENYSA-N 443.504 1.052 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1cncc(Br)c1 920797264 ZUPRKIIMHSAAIG-UHFFFAOYSA-N 439.291 1.871 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 1116074363 FNHNQWCEGMHWDS-UHFFFAOYSA-N 433.530 1.871 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)ccc1F 1130631054 IZNKNJWKXBKAGF-JOQOYGCGSA-N 442.509 1.767 30 10 IDEE CS(C)(=O)=NCC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1156184614 XAMSNBTWQMBQLB-UHFFFAOYSA-N 426.564 1.081 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1Br 1191284108 DRWJCXQEQLHKFN-UHFFFAOYSA-N 448.364 1.509 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1286277446 YPMMXDBSYOHUHZ-MIZPHKNDSA-N 432.613 1.803 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1286376120 FUJDLWKZWLOCKD-SFHVURJKSA-N 432.550 1.017 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCO[C@H]2CCOC2)CC1 1286482170 MXACHXCZZYOOCB-NRFANRHFSA-N 439.560 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286493963 JRUBBZIGJHVESG-PZJWPPBQSA-N 436.560 1.781 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1286501384 WKLSIEGICDQWBO-UHFFFAOYSA-N 434.953 1.831 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286683177 LEJQGQXUIAAUGX-BXWFABGCSA-N 427.571 1.629 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286700525 IVCSTHGRYIRNPS-RBUKOAKNSA-N 443.596 1.718 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286709645 AHPYKYRHBOVQJB-GOSISDBHSA-N 432.569 1.905 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1286776679 QVGSXVBOHZJVBL-INIZCTEOSA-N 444.540 1.389 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286793625 ICNMIOBFZWEDLT-QGZVFWFLSA-N 431.541 1.158 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286825431 RABMWZJEGCXKCW-SJLPKXTDSA-N 434.566 1.533 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)NC1CC1 1286962767 GMXVVCZXHQECRJ-OAHLLOKOSA-N 434.508 1.575 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]2(C(=O)OCC)CCCOC2)ccc1F 1287368840 RUKGYOPHAHIJDE-LJQANCHMSA-N 428.482 1.380 30 10 IDEE CC(C)CO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1287821800 CAQPQNCBFVJLQE-WBVHZDCISA-N 433.534 1.944 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CC2)cc1 1300126355 DORURNLCNQCVRV-PBYQXAPXSA-N 429.546 1.712 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1300408619 BKRDCDOKWHSQHL-SFHVURJKSA-N 443.573 1.929 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1300631981 ZIGNEVDNERJJLT-IBGZPJMESA-N 447.561 1.287 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 1301475803 ZAVMBNUAXPYMHK-UHFFFAOYSA-N 434.932 1.410 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1301519224 NMNDVLAEENHXMY-UHFFFAOYSA-N 432.569 1.736 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301577224 FZMTYKIJUIQCDU-MRXNPFEDSA-N 440.591 1.724 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CCO1 1303003150 CXANYNQUCMNXKC-RBUKOAKNSA-N 429.546 1.932 30 10 IDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)c1cccc(O)c1 1304853317 RWZTZWHEKQCEAF-UHFFFAOYSA-N 446.515 1.706 30 10 IDEE CN(CCC#N)C(=O)CCN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1307913603 LUIBQUVXTQGHNO-UKRRQHHQSA-N 434.459 1.602 30 10 IDEE C#CCN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C1CSC1 1307919157 SPUMRLMJBKNZIK-UHFFFAOYSA-N 437.587 1.321 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 1310008308 FWJAISIKZTWEAK-UHFFFAOYSA-N 437.518 1.945 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCOCC2)C1 1316528473 XHNRUXBMUGDXPX-OAQYLSRUSA-N 442.499 1.480 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)cc1 1316531855 XDXYFQQUBBTKRU-OAHLLOKOSA-N 434.422 1.989 30 10 IDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1320159132 DTECSKQUTQJOSQ-NSHDSACASA-N 430.324 1.605 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(=O)NCC)CCC1 1358948945 PJEHIVAMMOTICO-UHFFFAOYSA-N 436.564 1.828 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1358984108 IUGBKUAZCGRSNK-JPYJTQIMSA-N 434.500 1.726 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@@H]1OC 1359021415 NXSUMTASITVZRF-NQIIRXRSSA-N 442.516 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)nc2)CC1 1359043900 NFDUCZZVIASRNE-UHFFFAOYSA-N 436.907 1.798 30 10 IDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1359138864 GCASZQUOZBTQEF-ROUUACIJSA-N 429.546 1.956 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359182909 XHTPWSXGUOBQJH-MRXNPFEDSA-N 445.568 1.785 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1359266362 ZETBBTAIPKRECT-XLAORIBOSA-N 438.532 1.402 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359334200 WXJMVFCESWTOMU-HNNXBMFYSA-N 437.591 1.623 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1359335846 WTZKXQOLQJPBRD-UHFFFAOYSA-N 447.561 1.401 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1359472725 PMQKBAFAAXGJBF-HOTGVXAUSA-N 437.504 1.593 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1359888615 GQVJLJHBBLCARC-KKSFZXQISA-N 427.509 1.841 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1360482819 LJWJSOBJLRXNLB-WMLDXEAASA-N 425.493 1.131 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCOCC2)C1 1360788214 NSNLRJJGTXHZLG-QFIPXVFZSA-N 429.569 1.643 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccn2CCN2CCOCC2)CC1 1440679515 BXAAPKATZCBWRK-JOCHJYFZSA-N 425.508 1.982 30 10 IDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)OCc2ccccc2)C1 1456226846 YQSFLGAFQAMEHS-WMQCIHAUSA-N 431.514 1.432 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1461931103 GVBYKYQADILUKS-HNNXBMFYSA-N 447.513 1.120 30 10 IDEE CCOC(=O)N1CCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1502491622 ATTIRFROOCWYPD-KIJUOZEOSA-N 445.524 1.597 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1503398655 BIKGFZHHFALMII-XMSQKQJNSA-N 441.511 1.660 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC 1504580865 INKDFVUALNMIAI-YJBOKZPZSA-N 428.493 1.755 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507650137 CODURWRBUIIELC-OALUTQOASA-N 434.548 1.746 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1507653640 PFQQBWWDTDSJBM-INIZCTEOSA-N 432.933 1.963 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CC)CCOCC2)CC1 1507719738 PYLNMJHKLHPJHF-QHCPKHFHSA-N 431.581 1.892 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(COC)CCC2)CC1 1507738727 WRTTUJMFUDWZRP-QGZVFWFLSA-N 428.537 1.012 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC(F)F)CC1 1507740578 NVJOOSHDCLJYGN-UHFFFAOYSA-N 449.506 1.735 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1507791222 JJYCHQOAXPXKFH-KSZLIROESA-N 428.541 1.831 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1S(=O)(=O)N(C)C 1507981643 HSMOMHGJIWSFNH-UHFFFAOYSA-N 432.550 1.321 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508086339 NDHJONMNMXAQNJ-TZIWHRDSSA-N 438.576 1.636 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)C1 1508109668 NCBOUHCIUOLOBN-SJORKVTESA-N 428.493 1.512 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1517319780 HROSFYPOYJIKJI-KRWDZBQOSA-N 425.518 1.584 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1519606394 LGJJKMCYKBCLQS-GOSISDBHSA-N 444.561 1.497 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)c2cc(C#N)ccn2)o1 1523471140 CFISPBSNTCYWIZ-CQSZACIVSA-N 432.458 1.539 30 10 IDEE C#C[C@H]1COCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1535553055 PNIYIOXOICGYKS-ZBFHGGJFSA-N 441.347 1.710 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1538977570 WWIGQJOAATWYNK-KSFYIVLOSA-N 427.505 1.301 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539206967 YFJLVCPUIOPAAG-MOPGFXCFSA-N 447.561 1.188 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539272183 UDSNSWBGDJXYNG-LJQANCHMSA-N 429.521 1.505 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539517209 KBEKGBSKWACPNJ-RLLQIKCJSA-N 446.621 1.137 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1539538121 CUVUELYWSOQBAI-VBKZILBWSA-N 432.550 1.796 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCO[C@@H]2CCOC2)CC1 1539874001 ITZCDQHEPVRLSV-DOTOQJQBSA-N 427.571 1.486 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C[S@@](C)=O)c2ccccc2)s1 1543463480 JYZSBRDLPGRBNA-AKJBCIBTSA-N 426.585 1.991 30 10 IDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1545124976 CHUMAOOVSYSCJW-MSOLQXFVSA-N 426.521 1.675 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1546091167 KHUCHEFXQZQXHL-ZBMSZTRUSA-N 425.493 1.805 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1557798253 AFKSXSPAKHBGQC-HZPDHXFCSA-N 427.542 1.979 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c1 1558112004 UBKFKFZOXWJYRQ-HXUWFJFHSA-N 433.574 1.010 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](O)c2cc(OC)ccc2OC)c1 1558249568 MHORAOFTTGVAJF-VBKZILBWSA-N 432.498 1.467 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC)C(=O)OC 1561828846 BDKBUIBOVOLEPN-DANTVBBOSA-N 427.475 1.676 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)n1 1562071826 JDCGNZJXRNKXRL-UHFFFAOYSA-N 427.461 1.100 30 10 IDEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1584103856 RMPNBODDBNURFF-UHFFFAOYSA-N 425.551 1.435 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1587554925 AMXBUCWDJUNHQX-QZTJIDSGSA-N 425.537 1.740 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1588049675 KSCSXCVWYBFLBP-OAHLLOKOSA-N 443.920 1.459 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1588074810 SMVYRCHLXHQYAL-UGNRZPKXSA-N 436.578 1.383 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)C(C)C)CC1 1588806206 JMBYIYIVUKIQBV-XMMPIXPASA-N 449.559 1.354 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1588845091 UADLTWWWNWKSOW-RBUKOAKNSA-N 438.590 1.961 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1589150803 LKCMUXQARNBPSR-HRAATJIYSA-N 441.561 1.771 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1594680225 PBWWQGXKRXMNEF-IRXDYDNUSA-N 426.587 1.013 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1595713684 DHUUGTUOFGJZGL-PZJWPPBQSA-N 442.612 1.734 30 10 IDEE CCC1(CC)CNC(=O)[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1597619472 QJPUUKDKXRBTAI-GOSISDBHSA-N 432.546 1.380 30 10 IDEE CC(C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1607937966 AYHMHAMQUCZTMA-GOSISDBHSA-N 437.552 1.163 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1608225797 CNNRGORLLZQMML-KRWDZBQOSA-N 430.534 1.359 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1610337876 UPIHJINKHSYGSF-ZSVKVYQISA-N 444.536 1.834 30 10 IDEE O=C(c1ccc(N2CCCS2(=O)=O)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648916 NTNNQGNTYVHTET-UHFFFAOYSA-N 443.481 1.744 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1=O 1618456639 WOSAHMPDPKARCL-OAQYLSRUSA-N 442.545 1.308 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCC(=O)OC(C)(C)C)C2CCOCC2)CC1 1618873116 FDMPIAANSGHSES-FQEVSTJZSA-N 436.597 1.892 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1620053523 OPVSRFDPZWPFST-MOPGFXCFSA-N 438.532 1.973 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(Cn4ccnn4)CC3)n2CCOCCCO)c1 1620349781 WWESONOALAEQNU-UHFFFAOYSA-N 436.520 1.724 30 10 IDEE N#Cc1ccccc1COc1cccc(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)c1 1624696537 WMENTWQZDOVSLG-UHFFFAOYSA-N 427.482 1.300 30 10 IDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1=O 1627136501 KEGFIEXQDWLGTJ-WTOJCKNJSA-N 437.905 1.098 30 10 IDEE C#CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)C(=O)OC 1629613072 SRDKJUHOFTVOJV-QGZVFWFLSA-N 444.465 1.553 30 10 IDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1630017209 UVHDUGOIMDNYQY-UHFFFAOYSA-N 434.518 1.352 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@H]1C(F)(F)F 1637392462 UYACTNKCFDLEKA-ZIAGYGMSSA-N 447.435 1.611 30 10 IDEE CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1637584966 ICCAYNXJHZXNJF-KRWDZBQOSA-N 445.497 1.110 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCC2(c3ccccc3)CC2)c1=O 1641325067 DSZUVELPBNHDCG-UHFFFAOYSA-N 438.484 1.071 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccncc1)C1(CO)CCC1 1646565190 CQYQBYARCKAMBW-HXUWFJFHSA-N 442.541 1.920 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C[C@H]1CS(=O)(=O)C2 1648415790 NUSHKXVUCQIQRN-XOBRGWDASA-N 444.538 1.809 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cc[nH]n1 1649541072 CKGFYJYNBWRGDO-UHFFFAOYSA-N 426.481 1.561 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 1650923137 DGRHFCZSRNCFNM-UHFFFAOYSA-N 429.502 1.358 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 1651581338 BXQXGPIPUYFPMX-HSZRJFAPSA-N 448.435 1.554 30 10 IDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1655958883 VRCLSEGYQUBOLG-UHFFFAOYSA-N 439.397 1.981 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1656332819 GVIPEVSMNSBYFV-HSZRJFAPSA-N 427.501 1.638 30 10 IDEE N#CCCn1ccc(NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)n1 1667259089 GGJXEEQRFPUYSU-HIFRSBDPSA-N 428.415 1.877 30 10 IDEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)N1CCN(c2cnccc2C#N)CC1 1671224907 CBFBSQLKRNAOKD-UHFFFAOYSA-N 429.502 1.861 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(n3nnc(C(=O)OCC)c3C(F)F)CC2)C1 1676035643 SWSXDHLAWMMNCW-CQSZACIVSA-N 438.479 1.837 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3c(Br)cccc32)CC1 1683911072 SKIOANKKDCHIFW-MRXNPFEDSA-N 441.351 1.231 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689980784 XNBLXODHVLJXOF-GOSISDBHSA-N 435.594 1.461 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690018006 QVKQZOWHCDDWTO-XZOQPEGZSA-N 433.556 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1690053454 BKWUBRJFTCCGDB-KRWDZBQOSA-N 427.530 1.538 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1690076824 BVCJAUVCOOUGBB-OAHLLOKOSA-N 432.502 1.447 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1690592770 IICVTBXIRVGTOI-DLBZAZTESA-N 437.552 1.908 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1690592771 IICVTBXIRVGTOI-IAGOWNOFSA-N 437.552 1.908 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1690609081 BXCRVPKAWCYCIF-UHFFFAOYSA-N 427.509 1.555 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690720571 MNQUIPXUOPEWIN-HNNXBMFYSA-N 433.534 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCNC(=O)[C@@H]1CC 1690725481 ROUCFXRQYHJXKQ-KRWDZBQOSA-N 435.525 1.324 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1690997637 NNEGSOMTEKDEDC-MRXNPFEDSA-N 436.524 1.679 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCSC1 1696629440 CNEYEWZXCDMKBO-HOTGVXAUSA-N 425.518 1.747 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1705569858 HPTRYTQLWQYGTJ-KRWDZBQOSA-N 432.546 1.727 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(C)cn1 1705606739 DPXSMJRGXMRFIL-UHFFFAOYSA-N 441.561 1.860 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705658757 ZVQQBTTUGRKTKG-SFHVURJKSA-N 429.594 1.594 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1705704599 WZXREBXTXOVFAP-IEBWSBKVSA-N 427.553 1.964 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cn2cncn2)CC1 1705898627 RPMLSHUVHGJPOH-UHFFFAOYSA-N 436.520 1.764 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705904854 AHKMJLAZSCOCNS-IBGZPJMESA-N 437.548 1.520 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1705938729 IDHJCRUNMIEXBG-VQTJNVASSA-N 440.566 1.148 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)C1 1706933351 CETMJORMZJRSOH-BORJPKMPSA-N 426.518 1.272 30 10 IDEE C#CCCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722323291 SMKZLZMFZHZSCX-KNQAVFIVSA-N 433.553 1.464 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1722324287 ONJJBBQGWSJCQI-LPHOPBHVSA-N 447.561 1.888 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722402832 QXNXSORSEAZGGJ-AWEZNQCLSA-N 442.549 1.490 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CN3CCCC3=O)n2CC(F)(F)F)n1 1722428973 DWDSTJMDBMSJMY-UHFFFAOYSA-N 439.442 1.446 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2ccn(C)n2)n1 1722429191 ILFQUNRWEBYEGX-SFHVURJKSA-N 438.536 1.437 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1)C1CC1 1722651844 ZSJAFHHMNKYNJG-IBGZPJMESA-N 447.561 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722727399 IKXKKGYYDJVQFF-CVEARBPZSA-N 436.538 1.458 30 10 IDEE CC(C)(O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1723039593 PBEBHRYAQAHDSD-UHFFFAOYSA-N 438.536 1.155 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1(C)C 1730382938 AFLZVDFCISXLTA-KRWDZBQOSA-N 432.550 1.617 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)C[C@H]21 1730961795 QMTGFNDAZLJGGJ-RCCFBDPRSA-N 430.534 1.085 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)(F)F)C1 1731180602 KORFGEKPQDSQEB-MRXNPFEDSA-N 441.345 1.974 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1740630346 BKBNLZKGXBBKTL-QFIPXVFZSA-N 448.589 1.749 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1740729529 IZPMRQOAYIJJPD-HXUWFJFHSA-N 431.518 1.557 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1740937866 QVBUFTROVUWHSZ-OAHLLOKOSA-N 431.522 1.185 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740954086 BINMQBUDFNQREK-HSZRJFAPSA-N 436.516 1.893 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1740961190 OCMFQBJZUYMXCH-UHFFFAOYSA-N 428.512 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740994618 QGDDQDUHFLABCC-DYESRHJHSA-N 438.594 1.996 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1741123793 AZKVLBIYDRTFDJ-CVDCTZTESA-N 447.628 1.941 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1745343132 RASUZBHHDPYAKC-LZICOFPGSA-N 425.493 1.805 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1748678062 PRBAVEIJNVLSQS-YIYXVTKBSA-N 434.500 1.862 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748824251 MMRBGHMVBVDPNT-MRXNPFEDSA-N 437.591 1.757 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1748903362 YFCUJCITAIUPLZ-FQEVSTJZSA-N 432.528 1.912 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C2CCCC2)CC1 1749010202 PFZXSMGAAPXBII-IBGZPJMESA-N 441.580 1.069 30 10 IDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1749198690 RNNDFPJWIXNYTD-LJQANCHMSA-N 448.593 1.717 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749682840 ATTSNTUYWMFSAD-QGZVFWFLSA-N 431.541 1.160 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)F)C1 1749721986 YDMGALMXCVUKJA-AWEZNQCLSA-N 431.509 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 1749738837 YTBMRBYJQNAGDG-IBGZPJMESA-N 445.589 1.627 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1749764955 DKTOHRBLVFKOOZ-UHFFFAOYSA-N 432.550 1.020 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([S@](C)=O)CC1 1749827445 CTBFVFRSBYHXNX-PMERELPUSA-N 431.518 1.951 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H]1C 1749873358 FSLNMVHJJNNCTG-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1760189514 VAVDIGJMTBWALP-GOSISDBHSA-N 428.562 1.904 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760201750 ZJJPCSTXLXYZQA-WOJBJXKFSA-N 438.557 1.617 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2OCCC2(C)C)CC1 1760265051 MDGUWUIJUKAYBY-SFHVURJKSA-N 442.564 1.295 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1760289728 RZLBUWMLHMHWNK-ORAYPTAESA-N 445.574 1.933 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760306128 CFTCEEDMSHYARN-MRVWCRGKSA-N 433.372 1.950 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760332731 ALIZUFQFRQJAHW-BQFCYCMXSA-N 432.550 1.730 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCOCC2)CC1 1760397280 PYBFACPNSXUBTH-HSZRJFAPSA-N 447.580 1.970 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1760440305 HALCYFIZHAWREQ-SJORKVTESA-N 427.571 1.438 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)C1 1760534377 XFXADGFGLFXVFU-RXVVDRJESA-N 441.532 1.894 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760556882 SPBKVTSPRDVIJM-UTKZUKDTSA-N 447.561 1.249 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1760557833 XGFSFSXDOXXMBH-SFHVURJKSA-N 431.518 1.229 30 10 IDEE CC(C)(C)Cc1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760745580 AUGUQRFDSHWNDS-QSGFHZNJSA-N 441.536 1.108 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1762074069 DUTXRBLJJQVLGV-UHFFFAOYSA-N 426.502 1.848 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1766249144 AOWXLVHKXKKPMZ-KRWDZBQOSA-N 425.537 1.500 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)OC 1770217516 UFVOVNSBZBMHFV-QRFRQXIXSA-N 441.536 1.630 30 10 IDEE N#C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(Cc3c(Cl)cccc3Cl)C2=O)CCO1 1851200582 MCXZXWWGFJWAPX-JTQLQIEISA-N 425.228 1.035 30 10 IDEE Cc1nccn1-c1cc(N2CCN(C(=O)c3cnc4c(c3)c(C#N)cn4C)CC2)ncn1 1852532054 QRZAGZCCHBPBBC-UHFFFAOYSA-N 427.472 1.692 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(CCNC(=O)Nc3ccc(C#N)cc3)CC2)cc1 1852680207 CGTXHPAZVGHPHE-UHFFFAOYSA-N 427.530 1.905 30 10 IDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)C3(CCCC3)C2=O)ccn1 1856653139 NCYJKINDEMHLGA-UHFFFAOYSA-N 444.435 1.833 30 10 IDEE C=CCCN(C)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 1857491073 YAAOQWLTXXGAGZ-MRXNPFEDSA-N 425.576 1.784 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(OCC)cc2)cc1 1858643976 MJJPKNVRFDTONX-UHFFFAOYSA-N 447.513 1.954 30 10 IDEE COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCO)cc1O 1862574089 FJAGOGDUFMDWDP-LJQANCHMSA-N 429.425 1.989 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1869934887 VFUDQCQEJBGBHJ-IBGZPJMESA-N 441.557 1.894 30 10 IDEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870155228 CLEDAIJWPQNXOA-UHFFFAOYSA-N 445.395 1.899 30 10 IDEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1C[C@H](C)O 1870349140 BKMSNNQJLQXPBQ-SFHVURJKSA-N 429.517 1.775 30 10 IDEE Cc1ccc(Cn2nc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)ccc2=O)cc1 1891415891 BIVIXTHKEFRUIH-SFHVURJKSA-N 430.468 1.945 30 10 IDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2011760709 ZSRHHHYPGRIFAP-ZDUSSCGKSA-N 435.443 1.440 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC(O)C1 2085656426 IEIKHTVUTKNPEK-UHFFFAOYSA-N 433.314 1.738 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CN)c1nn(C)nc1Br 2194763257 WCYAQRLPTRLLRQ-AWEZNQCLSA-N 441.374 1.912 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(S(=O)(=O)c2c(Br)nnn2C)CC1 2201813183 FUBHLQPLLWCRDW-UHFFFAOYSA-N 447.164 1.920 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2215657639 FDJHNHPLKYOOJF-GFCCVEGCSA-N 446.289 1.911 30 10 IDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2243415767 BBBBQUZIGULOFQ-UHFFFAOYSA-N 440.274 1.099 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C[C@H](O)C1 2254790802 DGMIXXFQSQLBQB-AWEZNQCLSA-N 437.321 1.938 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255635354 YMXNVTOTSFTFDR-ZIAGYGMSSA-N 434.346 1.671 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2255648437 BUDKJMMNDFOTPB-CFVMTHIKSA-N 432.330 1.457 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255862066 PUOCHRFHSFBBAA-GOEBONIOSA-N 435.330 1.726 30 10 IDEE Cc1c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266991284 DRTHDORMCUDDIF-RCDICMHDSA-N 446.357 1.767 30 10 IDEE Cn1ncc(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267012426 UHXPZIMNBGATJB-WOWRSWPSSA-N 446.357 1.895 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267170697 YZWCIYDFBMGDCW-SQWLQELKSA-N 446.357 1.705 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267272247 YGFDOGWVPLYRCT-KRWDZBQOSA-N 449.357 1.681 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2267521012 NRYKZAKBUUSYML-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2267604249 FECKZSNVZWQIQW-CYBMUJFWSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268715081 FYUJFWOKBBOUBZ-QGZVFWFLSA-N 446.353 1.961 30 10 IDEE COc1ccc([C@H]2C(=C(C)NNC(N)=S)C(=O)C(=O)N2c2ccccc2OC)cc1 2297710416 GHFTWMKWOGNTAS-SFHVURJKSA-N 426.498 1.973 30 10 IDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccco3)CC2=O)cc1 2325880703 RGYULNVMGWYRGY-ZDUSSCGKSA-N 440.485 1.860 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2332920541 AZQZKXKSODLNQF-BRWVUGGUSA-N 448.325 1.265 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CC2 2337289634 LCHNHJSNFYMMFG-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE COc1[nH]c(=NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339788321 NBAPAKXOQNOSSC-GOEBONIOSA-N 449.357 1.451 30 10 IDEE Cn1cc(Br)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 18039290 XKHYMEMGVZILCW-UHFFFAOYSA-N 437.319 1.806 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 32826722 YHIZDAUUHRSSKA-UHFFFAOYSA-N 448.589 1.230 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nccn5cnnc45)[C@H](C)C3)cc2C1=O 433573180 WMZLWYQCERHMRU-CQSZACIVSA-N 431.456 1.257 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@@H]1CCCO1 470448602 SGGIZGCYBUPSCL-AWEZNQCLSA-N 447.919 1.663 30 10 IDEE CC(=O)NCCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc(C#N)cc1F 480739519 ZUQIGIMDMDHAHD-CYBMUJFWSA-N 427.498 1.695 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c(C#N)cn1CCOC 481495543 TZIJIKCPEUPIIH-INIZCTEOSA-N 447.492 1.084 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)NCCN(C)C)cc3)cc2C1=O 485892103 USTPHGQWELIVSB-UHFFFAOYSA-N 434.496 1.690 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC3)C2=O)n(C)n1 506574850 DRYDYLDSWHVJRI-YDHSSHFGSA-N 443.596 1.285 30 10 IDEE C=CCNc1ncc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)s1 508019459 UHCAIPVWNIQWLI-MRXNPFEDSA-N 443.577 1.736 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 514918434 IVKCKYWWWCEIBL-LJQANCHMSA-N 445.564 1.522 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 517986698 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1.686 30 10 IDEE COc1ccc(F)cc1CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862938 FCVWSXGQLQHANY-UHFFFAOYSA-N 428.439 1.806 30 10 IDEE COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cncc(B3OC(C)(C)C(C)(C)O3)c2)c1 616219275 GRAPHEVZHRMTIT-UHFFFAOYSA-N 448.306 1.977 30 10 IDEE CN(Cc1cccc(C#N)c1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729625364 UMMSQVWWBVGTTL-UHFFFAOYSA-N 443.309 1.624 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 746100696 MCHWOJVTFBVLNX-MRCUWXFGSA-N 432.908 1.780 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)s1 748063235 JHEBYWOTGNCLPG-UHFFFAOYSA-N 428.583 1.814 30 10 IDEE C#CCN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 757905080 PYIAGCOVSMOIRK-ZIAGYGMSSA-N 429.325 1.995 30 10 IDEE CC1CC(C#N)(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 767421749 ILIBJRDPGDKZJD-GHXNOFRVSA-N 431.514 1.614 30 10 IDEE N#Cc1ccc(C2(C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 781394757 ORNMMYPTHNCFMU-RBUKOAKNSA-N 446.525 1.328 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OC)n2)c1=O 790428189 RNOCJRGEOZISFJ-UHFFFAOYSA-N 431.473 1.341 30 10 IDEE C[C@@H](CS(C)(=O)=O)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790756643 GYPKYHZAIUHTJA-GXTWGEPZSA-N 446.620 1.181 30 10 IDEE COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 797532884 SQRKDKHMDRCXHR-NSHDSACASA-N 425.272 1.917 30 10 IDEE COc1cc(OC)c(CCNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c(OC)c1 805154526 LQBQZFMGYGENMO-UHFFFAOYSA-N 427.457 1.568 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 809893182 LPQYKAVCQZJEOQ-INIZCTEOSA-N 434.541 1.831 30 10 IDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(Cl)cc1 810473192 GRWWREIMNFJMLL-GOSISDBHSA-N 449.916 1.694 30 10 IDEE C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCN1C(=O)OC(C)(C)C 811226166 AIPZPDXCKKKEPI-RHSMWYFYSA-N 436.534 1.741 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811457871 ONJFEWYLBVDHTC-YOEHRIQHSA-N 436.534 1.598 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812748091 MTLBRLLSRSMQPS-GOSISDBHSA-N 432.473 1.960 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 916774961 IAFMJYBVHJSKRZ-UHFFFAOYSA-N 433.511 1.603 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 919020992 SDISAFGYJSEWTC-CQSZACIVSA-N 432.420 1.556 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(F)cc(I)cc2F)C1=O 1129726156 GLZUBDKGWVCSRV-UHFFFAOYSA-N 449.151 1.485 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cc[nH]n1 1136535682 GVKUUCAPPBCYKW-UHFFFAOYSA-N 437.497 1.457 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(N3CCOCC3)n2)s1 1138644474 KVIVKHUEDWWFCZ-UHFFFAOYSA-N 436.559 1.303 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1149518253 DVLISOWWKWJYQN-ARKGTOAJSA-N 437.924 1.946 30 10 IDEE C[C@H](Sc1nc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1)C(N)=O 1153865489 GBLMHAUVMYXJJM-LOWVWBTDSA-N 439.563 1.527 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c1 1155559314 VBWSBTKGAOYBAQ-UHFFFAOYSA-N 429.429 1.931 30 10 IDEE C=CCn1c(SCC(=O)N2CC(S(N)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1161528047 BVBCXYCXRDVYJY-UHFFFAOYSA-N 427.939 1.376 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1180362840 KKWDUYUWPCUHPQ-SJLPKXTDSA-N 435.502 1.684 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 1254753560 CWTHMGVKHGNMMX-SFHVURJKSA-N 433.578 1.656 30 10 IDEE COc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2=O)cc1 1278784307 SNTLVCVSTQVOGS-INIZCTEOSA-N 442.497 1.422 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1286381757 GQDRGQFQJSGOBW-IBGZPJMESA-N 436.497 1.788 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 1286396081 VFFVTRSCKMWJBN-GOSISDBHSA-N 439.545 1.609 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1286448357 SJJBYJHLLICAFC-KRWDZBQOSA-N 432.546 1.900 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1286470965 HBBJNJJMJOXWQG-HSZRJFAPSA-N 440.548 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCC[C@H]2C)CC1 1286473810 XVXFYKADPJLXMW-PTUXOGIPSA-N 431.581 1.625 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1286563476 QFSAZQPINFPCGU-WMZOPIPTSA-N 444.580 1.484 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1286749809 ZISXQTGELWYETJ-HZPDHXFCSA-N 438.575 1.850 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1286788755 FIDDKTSIDQKSSM-GOSISDBHSA-N 430.940 1.345 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286788979 LVYNKNXRKDLJHE-GOSISDBHSA-N 437.504 1.749 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C)C1 1286824299 APMGJKVYEHMXND-JYJNAYRXSA-N 430.596 1.545 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)CCOC1 1288320716 CENCKPURSCHVHE-KCUDFXNMSA-N 439.582 1.595 30 10 IDEE 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C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300775901 CCMIOPRGYYHODN-KRWDZBQOSA-N 447.536 1.704 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1300930258 FKEPOQAFWUDFQI-NRFANRHFSA-N 435.477 1.060 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(OC)c2)CC1 1301478699 OHNAFDDQWUEIKN-UHFFFAOYSA-N 441.536 1.054 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)[C@@H](C)O)cc1 1304490683 RJLRQVADVBLELT-PXAZEXFGSA-N 434.543 1.123 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1312538756 LVJFGYWFWBTEAD-LBXVMSDZSA-N 434.518 1.242 30 10 IDEE CN(C)C(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1314637818 FXJZVUZJQSRRFF-HSZRJFAPSA-N 448.531 1.800 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 1316227918 RFZVRIOIQWGPAA-WMZOPIPTSA-N 447.561 1.992 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CC2)c1 1358901312 GSMNMLWRRKTXDG-HSZRJFAPSA-N 439.516 1.511 30 10 IDEE 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C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1689851866 WOECRZJNAMNITR-FUHWJXTLSA-N 432.546 1.712 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689986837 XUSKENFZFJJTJI-YWZLYKJASA-N 429.502 1.401 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC)C1 1690255576 SVDANAOUBHSKLZ-DEPCRRQNSA-N 447.580 1.946 30 10 IDEE C=C1CCN(c2nnc(-c3cnccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 1690372549 QPCQEFZVHIJMIM-UHFFFAOYSA-N 425.518 1.870 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1690662156 SSWGNKPNEBXEPT-HNNXBMFYSA-N 435.532 1.922 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)N(C)CC)C1 1690692102 RCNURNNVTAQQGQ-SFHVURJKSA-N 437.508 1.180 30 10 IDEE CC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1693917642 BQJHHUGUYRZGCU-XMSQKQJNSA-N 425.537 1.926 30 10 IDEE CCc1cnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1694551955 DRVMDWWSJRNYET-SJKOYZFVSA-N 441.558 1.592 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 1695929339 CDVITTWCWYVELP-FQEVSTJZSA-N 435.532 1.768 30 10 IDEE COCC[C@@](C)(O)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1697936140 DRNDZJZWCVTUNZ-KSFYIVLOSA-N 442.568 1.740 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705538173 DWNOMSGLMROYSK-SFHVURJKSA-N 440.596 1.590 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705569869 KSOCHXUYYGRYBC-RTBURBONSA-N 447.630 1.897 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(N)=O)c1 1705629230 ATARKVZEHLXCRB-UHFFFAOYSA-N 443.511 1.750 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 1705634725 HFRZKKMNDRYFLY-HXUWFJFHSA-N 444.605 1.467 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705661901 LDGHSZFVBIQTDI-INIZCTEOSA-N 443.533 1.778 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705791229 QMPSCZNRMIKDBX-WBVHZDCISA-N 443.552 1.598 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1705857248 RUUNJQLIODLBHB-GCJKJVERSA-N 427.505 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccon1 1705896765 XHYUFAGWQYWETQ-UHFFFAOYSA-N 430.490 1.275 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)cc1 1705927873 HWVULDGGGDJNCC-UHFFFAOYSA-N 447.561 1.760 30 10 IDEE CC(C)=CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1706212215 ZDUJWMIQFRHEJW-GOSISDBHSA-N 449.515 1.232 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)C1 1712874906 FSDMNSLOJHGMCM-IBGZPJMESA-N 430.513 1.416 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)C1 1712875266 AZYBAIMKQITUSY-VQIMIIECSA-N 425.530 1.829 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCOC2)c1 1722306913 HEKBMBAASVFZTN-DEOSSOPVSA-N 446.511 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccccc2)CC1 1722441871 VYJHNPZBRXJLPK-UHFFFAOYSA-N 438.532 1.461 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722626265 ASONJWATISNAFN-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCSC1 1722697018 GXYGKOVPTFCKDQ-CYBMUJFWSA-N 425.518 1.838 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1727229564 FNCQDADMNPLOSV-GCJKJVERSA-N 444.511 1.972 30 10 IDEE CCCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cn1 1728217301 BMOOBEXVLHPNDI-KRWDZBQOSA-N 448.487 1.886 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1 1729218783 DSWPUQFNIGXNDV-UHFFFAOYSA-N 431.566 1.723 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1730628832 AYIHZEVQURAZPE-MGPUTAFESA-N 435.550 1.474 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)C[C@H]21 1730961824 QPZZDTONCOHEHF-IPMKNSEASA-N 444.561 1.427 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCCO)CCN1C1CC1 1731190567 QYSWHGXVTPWVTD-IBGZPJMESA-N 441.492 1.429 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740626579 BYIVCGYCOGOQKJ-FHWLQOOXSA-N 437.610 1.562 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1740627195 OPMRTAZWXGIXIF-RHSMWYFYSA-N 436.484 1.735 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740640117 ZBNTVHPUEHZZPZ-RTBURBONSA-N 431.606 1.764 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740739316 RCTNKUGKSRLHIT-MJBXVCDLSA-N 444.330 1.845 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740742037 AALPTYUHARYVPU-CYBMUJFWSA-N 435.286 1.857 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740940826 UGSKJWGKMKEEPY-KRWDZBQOSA-N 434.566 1.569 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@H](C)C1 1740959645 BIUAGZLTADYHKT-WBVHZDCISA-N 445.545 1.270 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1740995143 BHMLCERVQRKEGD-UHFFFAOYSA-N 429.550 1.807 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740999570 CHTOFWDRNKUCIH-HNNXBMFYSA-N 437.595 1.420 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1741678316 DCTDMFDZFGTCFS-MRXNPFEDSA-N 438.467 1.518 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1741723804 MQZXROUGTTWONK-YADHBBJMSA-N 432.569 1.515 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCCO1 1743244038 FORIMWWJPKKKEX-SJLPKXTDSA-N 444.561 1.713 30 10 IDEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1748729927 GCJMYVIIGAWAQK-PXNSSMCTSA-N 439.582 1.204 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748883153 UTNHGPFWBPUYNX-KRWDZBQOSA-N 435.454 1.405 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)CC1 1749000874 CFLXUBVZWMPKAB-UHFFFAOYSA-N 435.594 1.366 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1749033382 FCLDJLIYNWWAEY-MRXNPFEDSA-N 426.550 1.467 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1749234570 HXLMKOJXHRJOKE-UHFFFAOYSA-N 448.568 1.908 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749658290 MTAJOEHJLKCJRT-VBKZILBWSA-N 432.912 1.680 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H]2C)C1 1749698706 WUNJWOGQPYUIRD-GVDBMIGSSA-N 426.587 1.154 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1749719069 NDGDQNBCFYJJQS-NFBKMPQASA-N 438.532 1.577 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1751302653 ABADLLCNERVWNN-JXFKEZNVSA-N 431.518 1.646 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCS1 1752317854 CDOUBQFZYISEDK-IFXJQAMLSA-N 433.559 1.308 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1760153027 FUOSFISTOOGHIR-OAHLLOKOSA-N 428.566 1.773 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760182216 CFCGCBHIWMJSRB-IIBYNOLFSA-N 444.513 1.974 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)OC(C)(C)C 1760198950 LTXYFPJJYFJNKR-UHFFFAOYSA-N 447.503 1.518 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1760210136 NARHJTUXUABTJL-MRXNPFEDSA-N 446.602 1.907 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1760250315 YMTNDDQGXLTIDK-MRXNPFEDSA-N 437.541 1.443 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn3ccccc23)CC1 1760252204 NLAJSSGKKYYJMF-UHFFFAOYSA-N 434.548 1.648 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCOC2)CC1 1760257216 RCNYQDOABRNQEV-VGSWGCGISA-N 429.496 1.464 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760360179 UECDYODRQOMTLG-AVRDEDQJSA-N 433.553 1.768 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1760495376 MOMADALSRJCKEM-OALUTQOASA-N 437.610 1.715 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1761231477 OIVPRQHXGYHJCZ-SYWZAZHRSA-N 427.509 1.322 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)C1 1761542139 CGVSWDBDGSTNHT-VGSWGCGISA-N 439.495 1.928 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CC(F)(F)F 1763113080 FIWOXIVGLIWGRT-IUODEOHRSA-N 437.426 1.815 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1766870706 FDYQVHWQMNGRFB-UHFFFAOYSA-N 434.479 1.766 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)C[C@H]1O 1767920161 NNOJDZRNHLCAAU-XFQXTVEOSA-N 438.532 1.660 30 10 IDEE CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)N1CCC(C#N)CC1 1851152075 IPQCSSVBPMPZHN-UHFFFAOYSA-N 435.550 1.182 30 10 IDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H](N2CCS(=O)(=O)CC2)C(C)(C)C)c1C#N 1851772436 QVJPATCGEIRZIB-CYBMUJFWSA-N 435.472 1.709 30 10 IDEE O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852497592 RQFGMIDFNRGGCU-NSHDSACASA-N 425.429 1.275 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1858336671 VNFFYWWOGUZXMO-HNNXBMFYSA-N 449.510 1.071 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC 1870143916 HMHBUELAOXHJPH-UHFFFAOYSA-N 446.423 1.781 30 10 IDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637508 LSEJUYFBSBKZCO-CQSZACIVSA-N 435.334 1.169 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124537386 XSHQBKZSKUBWQM-MSOLQXFVSA-N 446.353 1.972 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124542266 BNGVZPNFBSRGSQ-HIFRSBDPSA-N 448.329 1.644 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248589052 LJVNMFQCPUXAAH-HNNXBMFYSA-N 432.307 1.842 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2255523339 FVENBECLZOFNOP-CYBMUJFWSA-N 438.305 1.740 30 10 IDEE CO[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2255545031 JZYATGNNUJYINY-HUUCEWRRSA-N 436.314 1.943 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255609865 LEIZXXZGHFYUKO-UONOGXRCSA-N 434.346 1.610 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1NC(=O)C(F)(F)F 2255712360 MJTPVEYRRPMYDN-FZMZJTMJSA-N 429.248 1.843 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255819075 VJTZBEDUXAWLGE-UHFFFAOYSA-N 436.314 1.538 30 10 IDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256617864 MPNYJECMQYYLIV-OAHLLOKOSA-N 436.314 1.819 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256625548 YGXUATBQCZLJKV-HNNXBMFYSA-N 435.330 1.985 30 10 IDEE Cc1c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143197 DZFGWMBMXQVINU-UHFFFAOYSA-N 449.361 1.225 30 10 IDEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2267266431 PMJUNGCNZBJATO-DLBZAZTESA-N 447.341 1.745 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccnc1 2296627160 NPWPUTIDUINSLN-LJQANCHMSA-N 425.489 1.566 30 10 IDEE NC(=O)CSc1nnc(-c2ccco2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331193617 SZWUOICJSBDJRK-UHFFFAOYSA-N 430.402 1.677 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C2CN(C(=O)OC(C)(C)C)C2)CC1 2337204481 LQDNNIDPZZVOPV-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE C=CCNC(=O)[C@@H](C)n1cnc(I)c1I 308933305 OQYMTIGHLRLUDY-ZCFIWIBFSA-N 431.015 1.956 30 10 IDEE C[C@]12CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C[C@H]1C2(F)F 428741522 DYGRAXQXRMWRKM-MJGOQNOKSA-N 438.500 1.368 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 461298364 FLZIFLOOCKSLHE-GOSISDBHSA-N 436.497 2.239 30 10 IDEE Cc1nn(C)c(N2CCN(Cc3nc(O)c4cnn(-c5ccccc5)c4n3)CC2)c1C#N 472152607 AHBMJCHEGSAJHC-UHFFFAOYSA-N 429.488 1.757 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)ccc1F 488939760 HZTCCTRJPYPRCX-GOSISDBHSA-N 436.896 1.884 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@@H]3CCCO3)c2=O)cc1 489120177 AHEQFKUVNNOMGM-SFHVURJKSA-N 446.532 1.934 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)cc2C1=O 505362415 ORDRRVQRAPYAGJ-MRXNPFEDSA-N 438.528 1.674 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@H]1CCCO1 507081354 ZBTXJHFCHNNQTA-QGZVFWFLSA-N 427.501 1.342 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)CCC2 517980138 CGWOFBCCVUHRHD-UHFFFAOYSA-N 445.544 1.653 30 10 IDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)c1 520064961 RNXRFSOBFQLPOZ-LJQANCHMSA-N 437.565 1.831 30 10 IDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c1=O 531815537 ROKXKKKWADRFRU-CQSZACIVSA-N 440.521 1.742 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O 537934524 QUIXRVAMDRMVOG-GFCCVEGCSA-N 426.351 1.057 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@H]1CCCO1 590914088 VZHRORBSSXXZOF-SJLPKXTDSA-N 441.553 1.051 30 10 IDEE C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)NC(=O)C1CCCCC1 608930570 ANYYISVHLDERPF-QGZVFWFLSA-N 446.573 1.866 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](O)CC(F)(F)C3)nnc12 682589844 QHHBEACOKOESRD-GFCCVEGCSA-N 435.456 1.551 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 731862589 HXUPAWOMCVLTPM-XDOYNYLZSA-N 439.493 1.917 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 732465113 CLSZELWNKQKZAQ-ATQAJOFPSA-N 433.459 1.755 30 10 IDEE N#C[C@H]1CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CCN1C1CC1 732651051 RSTDQPQOGHDSGG-HNNXBMFYSA-N 430.306 1.748 30 10 IDEE C[C@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)C(=O)NC[C@@H]1CCCO1 734179663 OAPNGYDSWMZKMJ-UWVGGRQHSA-N 433.408 1.997 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccccc2OCC#N)CC3)CC1 754521891 XMOLNZGDHWHDEJ-QGZVFWFLSA-N 436.516 1.165 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 755083364 NWHBEEDMROWCCI-SFHVURJKSA-N 442.516 1.581 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCO)C(=O)O 757240025 AVZVMANQYDCABA-SFTDATJTSA-N 436.464 1.869 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@@H]1C(=O)O 757548558 WJTDAVWNCXPXPP-VQTJNVASSA-N 447.447 1.634 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 769106206 PTSHGUBJBHIYBH-IAFNSTAXSA-N 440.422 1.682 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1F 771541531 OLWUDJHVBSLMKB-CQSZACIVSA-N 435.460 1.331 30 10 IDEE C#CCN(C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774172781 SASWLUAVDDFHOS-FQEVSTJZSA-N 431.558 1.442 30 10 IDEE C#CCN(C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 787146080 XKEQEPFKZVCEHR-LSDHHAIUSA-N 436.534 1.397 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCN1C1CC1 795829979 OUKXSDQZQFTIMB-SNVBAGLBSA-N 433.259 1.857 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(-c2cnn(C)c2)c1 802722212 SXPGMXJBGPYOFO-IBGZPJMESA-N 431.521 1.824 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)c1 803922171 HEADSKYDNLQVTP-UHFFFAOYSA-N 425.416 1.453 30 10 IDEE C[C@@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)CN1CCOCC1 804021569 BGOFYDCLQRJFTG-INIZCTEOSA-N 426.542 1.987 30 10 IDEE C#CC[C@@]1(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CCCN1C(=O)OC(C)(C)C 809756203 SSIOYLWJHBAJJU-NRFANRHFSA-N 439.578 1.852 30 10 IDEE C=CCNC(=O)[C@H](C)OC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 810834567 UUIOVYARUQBSDJ-FDVLLZDMSA-N 434.492 1.700 30 10 IDEE N#C[C@]12CN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1134423967 DFIFLYMDMKJREG-BLLLJJGKSA-N 446.407 1.812 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(N3CCOCC3)CCCCC2)s1 1135479400 KLZMKHUBIGKYAV-UHFFFAOYSA-N 441.619 1.906 30 10 IDEE CCNC(=O)NCc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1148519464 COSQHOHRTBJWPE-UHFFFAOYSA-N 443.529 1.963 30 10 IDEE C#CCN1CCN(C(=O)CN2Cc3sc(C(=O)OC)c(Br)c3C2)CC1 1174947955 IOJRDCNTOBHEPG-UHFFFAOYSA-N 426.336 1.390 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc21 1178756974 HZLFOZGTJRFXJB-MNVSYLFESA-N 449.533 1.253 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)n1 1222551269 AMCZZRRVQBIQFP-SFHVURJKSA-N 442.442 1.248 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(C)Cc1cc(C#N)cs1)CCS2(=O)=O 1256202202 DEQPMCLVNDLYRF-FVRSWCFKSA-N 425.532 1.660 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286443699 MHXIGIBYRLJBND-MOPGFXCFSA-N 436.516 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(C)cccc2C)CC1 1286471065 GVWOLJDOZSXCMV-IBGZPJMESA-N 444.605 1.503 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1286479639 IGQXNQRTBGFGPR-KRWDZBQOSA-N 426.496 1.106 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(CCC)C2)CC1 1286491298 MFNUQXAFSFVLAF-FQEVSTJZSA-N 449.603 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2CC(C)(C)C2)CC1 1286494398 NPDZNEQKTUDEBN-UHFFFAOYSA-N 426.565 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CCC)C2)CC1 1286495484 XEFHONGBINFRGD-AZUAARDMSA-N 428.581 1.827 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@@H]1C 1286539236 WCAPMYLZACYFBD-NSHDSACASA-N 437.298 1.581 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)C2CC2)CC1 1286645591 GARXDQHJMASPAH-SFHVURJKSA-N 438.598 1.252 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)COC)CC1 1286692649 KWDYUCTWJUVTJJ-UHFFFAOYSA-N 447.561 1.610 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1286711199 IXLDDPVHWFXBOU-INIZCTEOSA-N 433.534 1.436 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1286785144 GECXLQYTUDUWPP-MRXNPFEDSA-N 438.561 1.982 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286788694 CJVFNZNXQXAHHP-OAHLLOKOSA-N 437.470 1.639 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCCCC2)C1 1286793982 RHHVDFBYJKRNOL-HKUYNNGSSA-N 433.553 1.844 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1286966857 WAEPANPQMHZTKQ-JTQLQIEISA-N 427.387 1.280 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)OCC 1287778762 UCHLDXPVJJJVIQ-OAHLLOKOSA-N 426.901 1.450 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(C)COC1 1288886558 ULXVYUPWPWUDHY-JQHSSLGASA-N 444.561 1.668 30 10 IDEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1293676956 XZQITQXVEGTTFA-WAYWQWQTSA-N 435.532 1.956 30 10 IDEE CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1294894620 AOZSLPZYXLUIID-UHFFFAOYSA-N 449.494 1.599 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccncc3NC(=O)C(F)(F)F)C2=O)cc1 1297333580 GDKMJLYBYLGVLZ-HNNXBMFYSA-N 431.374 1.985 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1299376189 DZFDSDQRZBJVRO-GOSISDBHSA-N 443.529 1.641 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1300498172 IDSDHSGVCWPHMB-SFHVURJKSA-N 425.514 1.840 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1300630257 AAFGBTAWGVMZKR-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1300990236 CVZLPCAWIJKKOT-IRXDYDNUSA-N 429.525 1.972 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1301519270 OGJMYQOQGRCZQB-UHFFFAOYSA-N 428.541 1.429 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1301575868 LQSNNVWXPJLUHO-UHFFFAOYSA-N 442.545 1.509 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1303000473 GHDUUPSLSXCZTO-ZDUSSCGKSA-N 449.441 1.890 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1303648450 ZENJNJNFCWHHQU-QFBILLFUSA-N 448.531 1.917 30 10 IDEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305593365 WCYLHVQJCLTTIB-NRFANRHFSA-N 433.509 1.781 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1316297015 FXDXCKXSDLIBRN-ZMMAXQRCSA-N 430.509 1.627 30 10 IDEE COc1ccccc1NC(=O)C1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1319258775 DZBVLRMECZKBAA-XDOYNYLZSA-N 426.473 1.789 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2Cc2nnn(C)n2)c1 1358903410 VTERCDGYZYPTIV-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358961757 DUFKYPBMVHRWHE-JYSRZZCRSA-N 449.577 1.061 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358972255 YZNBGQUPTWCEIE-MRXNPFEDSA-N 431.949 1.953 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359058957 WAFYKHITSKFKDD-KRWDZBQOSA-N 425.518 1.900 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)OC)C1 1359089032 AFLMGDFAFHJEHJ-RYRKJORJSA-N 440.504 1.906 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)s1 1359300720 IVYLKAQBMZGLGY-LBPRGKRZSA-N 443.982 1.834 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](COC)C1 1359329253 CVYRGPQAEHTDCB-MRXNPFEDSA-N 448.545 1.790 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1359329465 JNRTXQRDSCBFPW-MRXNPFEDSA-N 433.534 1.256 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1359473513 DFEZWFYRQRQZGC-YJBOKZPZSA-N 426.477 1.245 30 10 IDEE CC(C)(C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359516180 SJBJPRFGUZDBRN-OZNQOIHVSA-N 427.553 1.777 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCCCC1 1360693139 FPPVRMMBUCNGPW-PXNSSMCTSA-N 437.614 1.894 30 10 IDEE COc1cc(CCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1O 1454103805 MSHGLUIJPIAPFA-AWEZNQCLSA-N 447.513 1.697 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 1456101837 ZTFREBHWGMKVHR-CQSZACIVSA-N 439.559 1.121 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)cc1 1466759142 PECZBIIIFWBJRR-UHFFFAOYSA-N 429.527 1.936 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)C[C@H]1CS(=O)(=O)C2 1469944944 PYKDXBAYLFPDJH-VAHXTSCQSA-N 444.282 1.601 30 10 IDEE C=CCn1cc(CNC(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)nn1 1470584176 LPTKAUJLVZBXAS-UHFFFAOYSA-N 435.573 1.986 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2nc(C#N)cs2)cc1 1472144779 RWJHTRJIGPROKZ-RDJZCZTQSA-N 434.543 1.578 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 1478125822 DBMOUEYIVBIBTA-KRWDZBQOSA-N 430.461 1.297 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@@H]1C(=O)OC 1478477601 LLMKPIYZARMLKG-UCUFBTAOSA-N 430.461 1.247 30 10 IDEE COC[C@H](F)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1504607735 IXCKZNBAHNEYFB-MMOPVJDHSA-N 436.532 1.480 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1507600069 BTSBLDLYRYFTSE-CQSZACIVSA-N 436.607 1.926 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1507957061 CPTTWVMDEVJPDF-MRXNPFEDSA-N 427.571 1.488 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CN(C)C1=O 1507999764 QVBBHMRGTWIWAJ-XMMPIXPASA-N 447.543 1.943 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1508149443 VEDLEHFAINEIEU-JXFKEZNVSA-N 442.582 1.535 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1508150974 SWTIGUKTKFFLMS-KRWDZBQOSA-N 449.602 1.983 30 10 IDEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1508152406 XPAZLNPBMLZLKX-UHFFFAOYSA-N 439.589 1.994 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1509944652 ATVINZZODNPFPH-OAHLLOKOSA-N 435.525 1.686 30 10 IDEE CCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1515855531 DSWPMNXCLYLDBZ-SFHVURJKSA-N 444.561 1.448 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1519496597 GMMDNHKDAZITEF-FQEVSTJZSA-N 426.521 1.676 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1521095000 HXJKSHVKNCFEGX-CZIZESTLSA-N 435.513 1.896 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1521128338 BENQCGPIQSUUIJ-ZNMIVQPWSA-N 448.321 1.976 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1525109311 JWJBAFKTDSMIBB-LLVKDONJSA-N 448.282 1.016 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1526814048 GLXCHIDTIRWPEY-GOSISDBHSA-N 441.557 1.400 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1538964534 JSNICEGZZJEBFV-OALUTQOASA-N 438.580 1.657 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1539013817 JYWZPVIDRKPIDB-HOTGVXAUSA-N 436.559 1.112 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1539115728 HDBGLAXIHGTUBU-UHFFFAOYSA-N 449.559 1.857 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1539300960 YRFISKLNWWULFZ-OFNKIYASSA-N 429.565 1.502 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC=C)CC1 1539438183 QPRABQIEVHCEHA-UHFFFAOYSA-N 449.378 1.827 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2c(CC)nn(C)c2CC)CC1 1539453378 JBNXNVWRDXGONN-UHFFFAOYSA-N 432.576 1.926 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCOCC1 1541237591 AURCPYVLQXDERN-GUDVDZBRSA-N 432.569 1.648 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCCN1CCC[C@@H]1CO 1541655320 WSYPLTLDYCRADN-LJQANCHMSA-N 431.585 1.783 30 10 IDEE C=CCC1(O)CN(C(=O)c2cc(I)ccc2N2CCOCC2)C1 1558315690 BJJRGRJBKIJTCH-UHFFFAOYSA-N 428.270 1.891 30 10 IDEE CN(C)S(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1F 1568938835 HCOSPHPIVOSHJC-UHFFFAOYSA-N 443.453 1.765 30 10 IDEE COC(=O)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1Br 1584140847 HHWFLBMZSIFMSH-AWEZNQCLSA-N 435.234 1.004 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C#N)ccc3F)CC2)cc1 1585654043 OLCXQYLEGBHGTD-UHFFFAOYSA-N 446.504 1.588 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C(C)C)N1CCOCC1 1588170471 HEMAAQYQXNRRMX-ACRUOGEOSA-N 429.565 1.432 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccccc2OCc2ccccc2)CC1 1588199763 YVHNTFFLHRDMJU-OUKQBFOZSA-N 439.537 1.891 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 1588871953 SYQDYDBOAVGUID-LJQANCHMSA-N 431.924 1.681 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1588877148 WXJFBMSWGLHLNR-JOCHJYFZSA-N 438.576 1.874 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589047834 KWCPYEDZONBMJL-QGZVFWFLSA-N 439.589 1.496 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1589069822 OKYONRIIWSMQEU-INIZCTEOSA-N 432.571 1.815 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1595593733 HYRSYQZOLTYDMR-HNNXBMFYSA-N 429.477 1.167 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1595877972 FDBSCTAOMFIKLL-KRWDZBQOSA-N 434.610 1.492 30 10 IDEE CC(C)c1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1602927600 UXFUBBHPZBGQAI-HTXNQAPBSA-N 430.509 1.314 30 10 IDEE Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612595743 BZHJZJHBIPBVRU-KXEGMRRWSA-N 427.431 1.186 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(C#N)cc2Br)c1=O 1614781276 RRUDVNMGGJEXQR-UHFFFAOYSA-N 445.273 1.906 30 10 IDEE CC[S@@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1617431296 CNVWBJHERWONID-BJLXPSRBSA-N 429.550 1.144 30 10 IDEE COCCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1619858506 BMZXCCZYMGOLJA-IBGZPJMESA-N 435.488 1.927 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCS(=O)(=O)C1 1620083460 YZNQWBLUFGIIED-NCOADZHNSA-N 425.555 1.565 30 10 IDEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(CC)CC2)C1 1622726633 DZYMRBQCTHFDGE-UHFFFAOYSA-N 449.577 1.253 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)c1 1624701387 NHKIQZTZWHCEGS-UHFFFAOYSA-N 440.569 1.951 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 1629382676 FBLPSUAKIKGERP-WTOJCKNJSA-N 428.917 1.859 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1 1636251459 QUIYCDFREBXHOD-MRXNPFEDSA-N 436.534 1.598 30 10 IDEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2n[nH]c(CCCNC)c2C#N)cc1 1638117012 JFYDLMZUXGOWAQ-GOSISDBHSA-N 442.545 1.986 30 10 IDEE CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1639778109 BLZOJQHTTDQXSL-KNVOCYPGSA-N 437.287 1.946 30 10 IDEE C[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1639961814 IFXOFRJOVDZUCG-QAPCUYQASA-N 430.505 1.518 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1640084658 DJSSLOASSMTFSX-HOCLYGCPSA-N 428.489 1.662 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(CCOC)CCOC)CC1 1640281797 WXAIVNXFCTUXGN-IBGZPJMESA-N 425.570 1.879 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](c4cc(O)nc(O)n4)C3)C2)C1 1640605502 SMSFOWBYUHAAFV-ADKQKGLMSA-N 443.504 1.991 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCc4c(cccc4C(N)=O)C3)C2=O)cc1 1642229467 CZXPOURQYLGOLH-LJQANCHMSA-N 431.452 1.447 30 10 IDEE C#Cc1cccc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 1642794392 MRLHFVWSBSTVGR-UHFFFAOYSA-N 439.537 1.597 30 10 IDEE O=C(c1cn(C(F)(F)CO)nn1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1643703168 MXXWUXXKNNEZAH-SVRRBLITSA-N 439.263 1.034 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCNC(=O)CC34CCC4)CC2)cc1 1644168104 SHISFSRINAVZHZ-UHFFFAOYSA-N 430.530 1.230 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)CC1 1670199098 SIBWIYCMNAWVDX-UHFFFAOYSA-N 444.561 1.921 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)CC2)c1 1685632812 XMYOOQOWSWTRSV-UHFFFAOYSA-N 440.529 1.889 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1689842263 XGJMSZZCPOUZSV-HOCLYGCPSA-N 440.504 1.799 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1689989048 AQCDVEXCIRZJIG-IAGOWNOFSA-N 426.608 1.942 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc2c(c1)OCCO2 1690103007 ZRMYQRWNXNJKHE-KRWDZBQOSA-N 425.489 1.329 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2COCCO2)CC1 1690133363 DLZWIPFFKJEIDE-GOSISDBHSA-N 427.505 1.036 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1690190106 LIDHZXWRMYKZNZ-YCRPNKLZSA-N 445.545 1.700 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1690312819 DBTHEJDYUMYGKD-BZSNNMDCSA-N 441.598 1.686 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690428253 KGHBHNPIVKLKHE-UHFFFAOYSA-N 440.552 1.511 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCOCC2)C1 1690684677 LISNQBBFXHDOQY-SFHVURJKSA-N 432.569 1.406 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1690689480 FBDRGHYNRLOLCE-RXVVDRJESA-N 443.529 1.148 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690718918 BRTMVQUNKOGBNA-INIZCTEOSA-N 447.561 1.646 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1691009454 ZPADUDGDGHGKCP-CQSZACIVSA-N 441.927 1.935 30 10 IDEE Cc1cccc(C(=O)NCCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1693171198 QOTHVRABBNLVNJ-UHFFFAOYSA-N 430.516 1.918 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1693248493 GLLOBLZZBVULKG-DLBZAZTESA-N 430.534 1.264 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1705549600 BHCVNKRTRQBXDK-UHFFFAOYSA-N 445.531 1.896 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1705567827 AMJGEPMFPAYDJA-KRWDZBQOSA-N 448.545 1.507 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC1 1705648155 PCCTZXINPZGUGD-GOSISDBHSA-N 447.605 1.726 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1705695795 ZMAKLCHEPRVIQE-OTWHNJEPSA-N 434.585 1.554 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705786100 GIRGAUJSVHTXGC-FTRWYGJKSA-N 441.598 1.875 30 10 IDEE CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1706056624 RYQAUMVWPHPQJP-LJQANCHMSA-N 439.520 1.392 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1706462321 DHIOFYINTIDYKX-APWZRJJASA-N 441.623 1.814 30 10 IDEE COCCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1712359511 XLNVVBSBYXKAIF-MRXNPFEDSA-N 437.504 1.737 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1712692588 YVNPRXLXHNESFV-QZTJIDSGSA-N 431.518 1.246 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1712875423 CBRHQIMQQIIVNH-IQUTYRLHSA-N 441.458 1.027 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722366403 IQBFZOXIZJEISF-UXHICEINSA-N 449.621 1.675 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1722373988 SWQAYLZQEYEJLR-QGZVFWFLSA-N 445.520 1.666 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC=CO2)n1 1722427141 HSRYRZHHZGJQOE-HXUWFJFHSA-N 436.520 1.854 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOC)CC1 1722440362 DPIWVMINFPKVIY-HDICACEKSA-N 432.569 1.841 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCC=CO2)CC1 1722443361 HSBUASQGQGPEMC-WMZHIEFXSA-N 443.548 1.589 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1722447541 JIDMYWVWDSWHRY-UHFFFAOYSA-N 447.605 1.869 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)CCOC)CC1 1722448672 GBNZEQUFYNOAPX-HSZRJFAPSA-N 440.548 1.017 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)CC1 1722460075 VEDUZXDUKWJSBZ-UHFFFAOYSA-N 445.618 1.387 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1722504006 XXHWASZEGYNGJR-FXAWDEMLSA-N 430.597 1.957 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722505101 ISWYCSLILTWQPK-YJBOKZPZSA-N 434.566 1.772 30 10 IDEE C=C(C)CN(CC)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722515531 OHMDXWXFCBUFQJ-NRFANRHFSA-N 434.562 1.852 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722630325 DCDZDQGQDMSKQU-RBUKOAKNSA-N 432.569 1.465 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C2CC2)C1 1722693389 MCUWTMSGTLZWNL-QGZVFWFLSA-N 429.546 1.887 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722695708 NDMIOFOWGIHYQT-GFCCVEGCSA-N 443.932 1.909 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722697324 HWQHJXPXLYGMHV-IAGOWNOFSA-N 438.532 1.979 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](COC)C1 1722702345 NIRPYZVRVAVWKT-LJQANCHMSA-N 429.521 1.628 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722709287 MNVYSONQMBOZTK-RBUKOAKNSA-N 430.553 1.554 30 10 IDEE C=CCSCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1722740395 SZTHXKCMMDGMTO-FQEVSTJZSA-N 437.566 1.928 30 10 IDEE CCOC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728723669 GBHJXYFSIRTVIP-UHFFFAOYSA-N 440.552 1.825 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COCCO1 1729566950 OHCOJKIJRAICGG-ZIAGYGMSSA-N 437.298 1.190 30 10 IDEE CNC(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1729722653 WLOYIQWZZBYRLG-HUUCEWRRSA-N 435.529 1.318 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNc1nccc(C(F)(F)F)n1 1740559187 YFXUPFSMSIDUMP-ZDUSSCGKSA-N 436.442 1.779 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1740621822 ZKCJZRVUJVGCQW-LJQANCHMSA-N 445.589 1.458 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1740695446 RJOQQFBCIPMUKU-HKBQPEDESA-N 435.557 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C2CC2)CC1 1740703360 PETOMFPOBCWGTQ-UHFFFAOYSA-N 427.530 1.649 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1740774638 XBLIMQPOEAJRCC-SJORKVTESA-N 425.555 1.359 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740794689 GKOYYPGDDXJPKM-KRWDZBQOSA-N 441.598 1.625 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC#N 1740952915 QSIICZJPQVZGRL-CQSZACIVSA-N 444.565 1.587 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740955590 ZAPGXYXQWHGEKW-KSFYIVLOSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1740957764 AEWPZYZEYUOMAQ-FHLIZLRMSA-N 442.495 1.637 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)C1 1741982936 BQUKSEVGPGWFRW-QFBILLFUSA-N 434.522 1.382 30 10 IDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1746668378 DRIZSHGRTOFPPY-PXNSSMCTSA-N 437.566 1.495 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@H]1C 1748665115 NSTYKDLQIMCQLU-AVYPCKFXSA-N 432.550 1.236 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1748905247 APNCIFQZCOXIAY-IFXJQAMLSA-N 439.969 1.909 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCn2cc(Br)cn2)CC1 1748983815 FKVZEJOVMLOXOR-UHFFFAOYSA-N 443.353 1.698 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1749590738 DZVFNAJBINWLLO-IEBWSBKVSA-N 428.537 1.778 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749664003 VFVJHOZSVZBELS-UHFFFAOYSA-N 440.577 1.673 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1749669321 JAAQUSJEVBKWRN-RDJZCZTQSA-N 447.561 1.979 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)o1 1750382238 DWTRBVLGQWPVPA-MRXNPFEDSA-N 433.534 1.682 30 10 IDEE CC(C)Cc1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750726588 LMBLXXHIHVQGRD-BZROSYFNSA-N 438.536 1.730 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760187092 HRQJKBSONKPXSI-ZCNNSNEGSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1760217470 CDCVXQWONAYMJD-CQSZACIVSA-N 446.437 1.613 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1760268470 SBNUIFCHUFSACQ-HSZRJFAPSA-N 440.523 1.117 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760280121 CUKCGQRQOIZRQR-GBESFXJTSA-N 449.621 1.906 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1760495434 NWRCKRQNUKGDPA-SFHVURJKSA-N 435.525 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1760523250 RBAQAYJISHBBGI-GOEBONIOSA-N 442.524 1.387 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760525670 MYWTYRHKBLUEOR-OAQYLSRUSA-N 446.577 1.710 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760556930 UMDRYHFSDZBVHJ-NRFANRHFSA-N 447.536 1.468 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1760569480 PPIZIZRVBBDYCH-UHFFFAOYSA-N 444.561 1.875 30 10 IDEE C[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1762924748 DQFFBCXGLFHEQN-OAHLLOKOSA-N 441.517 1.913 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1765655794 CDOKBRXPFIFFOB-UHFFFAOYSA-N 446.462 1.050 30 10 IDEE COC1(C)CN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768199371 ULMKDLQJOPUIFF-QZQOTICOSA-N 436.516 1.929 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(N)=O)cc1 1769993808 CUFIDQZDLOUDHQ-VBKZILBWSA-N 431.472 1.983 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCc2ccco2)CCO1 1770748019 LPADNRPDHMGOLZ-HNNXBMFYSA-N 442.426 1.785 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1770981503 BIOVFQGNKWIXOG-XMSQKQJNSA-N 441.536 1.163 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1771357720 BNJJXZBHCGWUKP-UHFFFAOYSA-N 445.545 1.780 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOCC1 1772843466 CUYNJFFBMSWYRM-UHFFFAOYSA-N 438.580 1.792 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ccc(C#N)cn1 1849009007 OOTLESFCDSIETG-AWEZNQCLSA-N 431.440 1.581 30 10 IDEE Cc1cc(CN2CCN(C(=O)CCON=C(N)c3ccc(Br)cc3)CC2)n[nH]1 1853430959 RHYFWQLICIGKHD-UHFFFAOYSA-N 449.353 1.852 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(OC)(C(F)(F)F)CC3)C2=O)CC1=O 1854386849 HOLLWGGYWQGWAP-LSDHHAIUSA-N 431.455 1.582 30 10 IDEE CN(C)CCCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3ccc(C#N)cc3)cc2C1=O 1868130714 SZCKAOBUCPNUIO-UHFFFAOYSA-N 433.468 1.474 30 10 IDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870109237 OHNNOCYOADNPIJ-MRXNPFEDSA-N 430.424 1.888 30 10 IDEE Cc1nc(SCc2cc(=O)c(OCCO)cn2CCOCCO)c(C#N)c(C)c1C 1870239348 JDMFMUAKLZGFMM-UHFFFAOYSA-N 433.530 1.713 30 10 IDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689037 OYPXVBUDHFIWMA-UHFFFAOYSA-N 428.493 1.417 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(OC)cc2C)cc2c(N(CCO)CCO)ncnc21 1873646439 KGVRIXZYWXFQOH-UHFFFAOYSA-N 425.489 1.978 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(N3CC(O)C3)ncnc21 1873656310 XVFTXZFGOIWBCA-UHFFFAOYSA-N 447.543 1.802 30 10 IDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1O 1874338758 XJVKWNCKYCJPKC-RTYWOJFRSA-N 432.506 1.176 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCCN(c3ccc4nnc(C)n4n3)CC2)cs1 1889860804 GPLKDBQARZYZPD-UHFFFAOYSA-N 426.506 1.158 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1cc(F)c(Br)cc1F 1891808598 UFSNSVKAIVGFGG-UHFFFAOYSA-N 444.261 1.898 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902018111 WQCDYMHOYFFKDW-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060624785 CCGSLUZCRMJRKB-UHFFFAOYSA-N 433.314 1.565 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2060815774 VSMSVAUJGBCJSE-UHFFFAOYSA-N 432.296 1.563 30 10 IDEE C#CCCN1CCC[C@@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2204041917 SQGZZPDHQXSVGQ-IERDGZPVSA-N 435.521 1.418 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903907 KPXHSPXHBQADSE-HUUCEWRRSA-N 446.375 1.776 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247920773 CUADPOXCFKWBSW-IBGZPJMESA-N 441.359 1.448 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)C1 2255160860 TXKIDDJPSDFIAK-SHYRYGCCSA-N 446.470 1.114 30 10 IDEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255605828 SFLFZMJYDFANCM-CMPLNLGQSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@@H]21 2255658284 BACWEIIHODKYQB-GJZGRUSLSA-N 432.330 1.933 30 10 IDEE CCn1cc(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255814881 FRERQLZSGDEHGA-ZIAGYGMSSA-N 434.346 1.845 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCC(N)=O)Cc3ccccc3)c2)OC1(C)C 2255932137 XHGWPBLMTPXNBS-UHFFFAOYSA-N 445.350 1.447 30 10 IDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255950890 VZCLZDHDPPYHPI-UHFFFAOYSA-N 448.272 1.285 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2259345111 CPHAQBGZMKTKHH-KBPBESRZSA-N 432.330 1.809 30 10 IDEE Cn1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267530264 XMLUFADCXWSWLJ-QHCPKHFHSA-N 440.353 1.086 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)COC1 2267804979 CMQQMDNEPRXJLW-UHFFFAOYSA-N 448.325 1.715 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2337197988 DOUMWFNVSYVHLQ-RBSFLKMASA-N 446.357 1.705 30 10 IDEE COc1nc(-n2nc([N+](=O)[O-])nc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2365380168 OUBABLQUGPPYTI-UHFFFAOYSA-N 426.036 1.641 30 10 IDEE CC(=O)O[C@H]1[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1COP(=O)(OCCC#N)OCCC#N 35636194 YDWCHPGRHWOJBO-JJXSEGSLSA-N 432.366 1.822 30 10 IDEE in-vitro O=C(C[C@H]1S/C(=N/NC2=NC(=S)SCC2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39886300 ZNQRWZDLHMBKPR-SNVBAGLBSA-N 438.516 1.836 30 10 IDEE CCCNC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@H]2CCCO2)CC1 46022165 LXZHXYVABTZGPU-LJQANCHMSA-N 431.537 1.285 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(CC(=O)OC)CC(=O)OC 111208749 GTTPQJCPYRADNY-UHFFFAOYSA-N 443.250 1.273 30 10 IDEE CC(=O)Nc1ccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1 170178878 NNSKWUSJYYIMJK-UHFFFAOYSA-N 445.527 1.990 30 10 IDEE CCOc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254445576 RTKAOJZNTVZDBD-GJZGRUSLSA-N 426.516 1.942 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446599296 DZLQZBMIFRDWBU-UHFFFAOYSA-N 442.564 1.885 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)o1 471185933 FJLIABIQRVDZTJ-SFHVURJKSA-N 441.553 1.806 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3cc(C#N)cn3C)CC2)cc1OC 471590190 VBRUFVVQBXQJPL-UHFFFAOYSA-N 446.529 1.745 30 10 IDEE CSc1nc(O)c(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1C#N 501889998 XKYPKARITBDTEW-DLBZAZTESA-N 437.525 1.709 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 513686432 ZNCTYKZQCQKAMM-SFHVURJKSA-N 440.529 1.248 30 10 IDEE COc1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCOC3)CC2)ncn1 566568118 OCGXUEBDVYPNPP-SFHVURJKSA-N 446.515 1.978 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)Cc1cn(C)nn1 571209795 MTXWORFPPBGLIY-UHFFFAOYSA-N 430.538 1.536 30 10 IDEE Cn1c(N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c(C#N)c(=O)n(C)c1=O 580535973 BFLWVFOXLAYFBN-UHFFFAOYSA-N 438.406 1.428 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCO[C@H](COc4ccccc4)C3)CC2)nc1 587655098 ZMPUGMURPSVVFY-NRFANRHFSA-N 449.511 1.345 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(c3ccccc3S(N)(=O)=O)CC2)CC1 615456973 PFKGEAYWNHIZOR-WUZYXKQASA-N 447.605 1.775 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c1F 669650722 XQDUKVZYMGGDQN-OAHLLOKOSA-N 430.501 1.965 30 10 IDEE CCc1cc[n+](/C(C(=O)c2cc(C(=O)OC)co2)=C(/S)NCCN2CCOCC2)cc1 729667959 XQCFJAZOUJBCLD-UHFFFAOYSA-O 446.549 1.777 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(CC)c3ccccc3c2=O)c1 735633351 QVBIVMXXFWCLOD-UHFFFAOYSA-N 444.491 1.903 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(Cl)c1-n1cccn1 737304743 BCVVNRQIDMJEBL-BMRADRMJSA-N 428.836 1.107 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3C(N)=O)cc2C1=O 772834649 VOTXOKZZXDIVHF-UHFFFAOYSA-N 434.452 1.656 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772912110 VEKZOQUDRRDFRQ-UHFFFAOYSA-N 432.505 1.155 30 10 IDEE C#CCN(C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 774195392 HYIPVQXVNNNMCX-GOSISDBHSA-N 434.558 1.884 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC[C@@H](OC)C(F)(F)F)C1=O 786690199 TZYZSQCFXXCCMG-CHWSQXEVSA-N 446.451 1.821 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 818638087 BKTXITANRKJPBH-WVDGROQASA-N 428.464 1.910 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 857837770 PJQNZHOXRWHIBY-DLBZAZTESA-N 439.534 1.824 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C(=O)N3CCC[C@H](C(N)=O)C3)C(C)C)cc2C1=O 876538327 OYOWLGGDLLNUMS-YJBOKZPZSA-N 441.484 1.374 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)CSCc2ccc(C#N)cc2)C1 1133085400 PKJQDMPFSMITLC-UHFFFAOYSA-N 430.530 1.739 30 10 IDEE Cn1cc([C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C2(CO)CCC2)cn1 1141342441 BGBSKJKOINYAHK-LJQANCHMSA-N 445.545 1.259 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 1152968128 ZWJOVUCXZUFCIG-UHFFFAOYSA-N 432.527 1.226 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1S(=O)(=O)NCC#N 1158763355 MSDRVEJNRPFPFH-DOTOQJQBSA-N 426.498 1.218 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC1 1202620199 RSUBHZLERZBZBO-UHFFFAOYSA-N 440.525 1.906 30 10 IDEE C#C[C@@H](NC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)C1CCOCC1 1223902538 SSSQQKWIRQPOHG-VQTJNVASSA-N 429.517 1.588 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 1251322919 OKSUKDPVJDGJFF-FRQCXROJSA-N 435.521 1.710 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286290100 OFIRBNAYUQTELA-HUUCEWRRSA-N 431.518 1.413 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1286323538 KKLNVAQUALHVPO-DLBZAZTESA-N 439.582 1.418 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1286323545 KKLNVAQUALHVPO-IRXDYDNUSA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1286385801 PHNJUMRNVZTFEL-UZLBHIALSA-N 443.573 1.790 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC[C@H](C(F)F)N1CCOCC1 1286411444 UVZGITBCPIBSQF-LJQANCHMSA-N 428.487 1.693 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286422667 NSKYVMXODYXHSE-PMOQBDJRSA-N 428.533 1.731 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cc(CO)nn1 1286444392 WMRBDYSCAWXQPL-UHFFFAOYSA-N 433.476 1.228 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCN2CC)CC1 1286489737 ALLGNGVOKPYKIL-LJQANCHMSA-N 436.564 1.575 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286509604 ULLOYSBUHMCSAZ-SFHVURJKSA-N 441.557 1.816 30 10 IDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1286677922 MJMBYUARSNRCOZ-NXHRZFHOSA-N 446.577 1.560 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286789326 DADKQACGVBJUQI-KRWDZBQOSA-N 426.521 1.443 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286793482 GGHRODBYZLULDZ-JOCHJYFZSA-N 433.553 1.772 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286951344 VKMAVFNANCMFSP-UWJYYQICSA-N 437.548 1.500 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1288537120 CIAYHAPZBCRAKI-QGZVFWFLSA-N 425.537 1.629 30 10 IDEE COC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 1288915546 MFOWTBFUCBNMPC-QUCCMNQESA-N 435.546 1.517 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1289350908 XEDIXARHJNBZPB-GBXCKJPGSA-N 448.479 1.934 30 10 IDEE COc1cccc(Cn2c(NC(=O)Cn3cc(C#N)c(O)nc3=O)nc3ccccc32)c1 1292707218 YEYRRUYEXNQNSQ-UHFFFAOYSA-N 430.424 1.866 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1293735770 GZFVTIJCCVDBQD-OAHLLOKOSA-N 427.509 1.814 30 10 IDEE CCN1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1296202776 ICLCTHXAHGXTEM-QFIPXVFZSA-N 446.575 1.260 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1300364884 OKMCFKUJZSHCCO-GOSISDBHSA-N 435.550 1.952 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300499576 VFMJLNPZJZSJPV-IBGZPJMESA-N 443.573 1.445 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1300579677 VNAMCZWNQFVZEI-UHFFFAOYSA-N 431.500 1.180 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1300671799 PTNBPKKQRLLGMD-KRWDZBQOSA-N 449.552 1.709 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@H]2C[C@@H]2C)CC1 1300689421 VJPPQZVBPOUIFK-LPHOPBHVSA-N 428.562 1.532 30 10 IDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301216681 PDKKRJQYIDOCRI-RHSMWYFYSA-N 438.488 1.920 30 10 IDEE C=CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1301331441 KLRUBODJHKEGML-FQEVSTJZSA-N 436.509 1.701 30 10 IDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1301481368 KUJXHESEECBALH-UHFFFAOYSA-N 425.537 1.266 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301529438 JLVUNGURJYZUPA-QGZVFWFLSA-N 439.520 1.243 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1301611927 INVZZZMENOIFQH-HNNXBMFYSA-N 427.596 1.191 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)C1 1302630772 PTQNRFVXYWHUKL-RBZFPXEDSA-N 430.848 1.485 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305551839 MNKQGTCABATVGO-OOADYSHXSA-N 427.553 1.993 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1 1306011979 CBDBXFJFPWUZQA-DLBZAZTESA-N 439.509 1.675 30 10 IDEE COC[C@]1(C(=O)OC)CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1307958196 RZYQQDFKIPQQSD-UTKZUKDTSA-N 434.562 1.501 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCOCCS(C)(=O)=O 1314729342 NMXRCJBJNKXANX-UHFFFAOYSA-N 428.518 1.842 30 10 IDEE Cn1ncc(CCCn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)n1 1314932611 HTTGPZJZUIBRPI-UHFFFAOYSA-N 434.552 1.930 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCCN2CCOCC2)c1 1316530008 FFKDVHYEHLEZBK-UHFFFAOYSA-N 444.561 1.164 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1358946659 DKZWRDTWJFWDIG-HSZRJFAPSA-N 433.516 1.613 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1358990216 GFFJVQAGUDHHNO-UHFFFAOYSA-N 436.541 1.703 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1359054722 FBFIFTYIVHZSGY-HNNXBMFYSA-N 435.513 1.287 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1359089910 RCFUUWRJLDASPY-QYZOEREBSA-N 443.552 1.499 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359228587 HKHIHDAJHSXGFY-INIZCTEOSA-N 431.497 1.263 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2)C1 1359331685 GCWPBUABWTUPNN-ROUUACIJSA-N 429.546 1.824 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1360295865 QBHRBIRZKUMNAT-PKOBYXMFSA-N 437.548 1.926 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1=O 1436773454 FZOGQEVAFLQNFZ-LBPRGKRZSA-N 432.286 1.430 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCN2C(=O)c3ccccc3C2=O)c1 1449121266 CSAPFADRARWSHE-UHFFFAOYSA-N 429.429 1.539 30 10 IDEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1454051158 YLNXVABNHJJYHY-ZDUSSCGKSA-N 429.336 1.859 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3ccnc(Oc4ccccc4F)c3)C2)c(=O)nc1O 1470040201 SWKAKWGYIQZAIV-UHFFFAOYSA-N 436.403 1.913 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1470298007 PCRXQXVOPCHZRR-KFKAGJAMSA-N 435.521 1.710 30 10 IDEE CCCCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1470805884 WAVUBWGBFUVANI-KRWDZBQOSA-N 445.951 1.625 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@@H]32)c(=O)nc1O 1470994840 HNZMFOAMPVMOKR-VHDGCEQUSA-N 430.262 1.221 30 10 IDEE C=CCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1OC 1472274130 CRKSCARYWJUBAM-TZQQIIETSA-N 437.514 1.889 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1472612853 KHNXHZRKMJGOTC-BPQIPLTHSA-N 448.545 1.741 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 1473220037 YNNYIKHYLYRBFB-QFBILLFUSA-N 427.501 1.900 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]12COCCN1C(=O)COC2 1476728711 BHABZFQGCIBZOG-GOSISDBHSA-N 440.294 1.763 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1503361170 AUKZOZGOAGHTQB-QFIPXVFZSA-N 437.504 1.716 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1503442202 URVJNCITLWZSDU-SFHVURJKSA-N 442.520 1.495 30 10 IDEE CNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1503739849 ICPHHYCVKVTULK-OAQYLSRUSA-N 425.468 1.364 30 10 IDEE CO[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1503968259 BIIFFLUEPBKFLR-AEFFLSMTSA-N 431.518 1.502 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504557388 GFQRDJAKIUTFEV-INIZCTEOSA-N 426.525 1.292 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1505133874 GHMGXBXIDQHBNK-OAQYLSRUSA-N 445.545 1.780 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1507630904 JLVQQFDRNMLQRQ-QGZVFWFLSA-N 425.514 1.957 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1507631728 SLRZNJMZJARCLQ-IBGZPJMESA-N 429.546 1.784 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)c2ccccc2)CC1 1507715526 CIKFPVIBQHPJFL-UHFFFAOYSA-N 444.543 1.817 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507747789 YJEYLAIPDNZPKN-HNAYVOBHSA-N 443.639 1.896 30 10 IDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507959340 OXOMSDGLAYATHV-QGZVFWFLSA-N 430.465 1.397 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1nccs1 1508070777 CRFHENTZZDEANR-UHFFFAOYSA-N 426.506 1.363 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508079276 QBMDVVJKZXLKTJ-YGKZAACZSA-N 436.516 1.892 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1 1508279073 PCRYQVCLFSSKIY-FQEVSTJZSA-N 446.556 1.240 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCC[C@@H]1C 1510188329 CDHRBWNROLLJHZ-TXPKVOOTSA-N 441.577 1.595 30 10 IDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1516685811 YQMSTCUZVNLPIK-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CO[C@@H](CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1517806964 ZKJHUGSNZDQYSX-CABCVRRESA-N 427.431 1.836 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1539112267 LCNHSZNWMVBZHI-LJQANCHMSA-N 438.580 1.615 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539190215 DFCXKZXSJNYLAN-UHFFFAOYSA-N 436.564 1.055 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539220939 XFZZXXXDVUXTLR-HZPDHXFCSA-N 435.594 1.408 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1539224837 IYKLZHSFMBCSRP-INIZCTEOSA-N 431.543 1.902 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539752643 VCXPMQRUGMUSFC-HXUWFJFHSA-N 440.548 1.684 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540013006 HFSBQCJAXRKWMO-CQSZACIVSA-N 428.459 1.872 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1540170414 NVFDDNLHHKQNHZ-HOTGVXAUSA-N 427.596 1.685 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1540876634 XBEVUQOQMSODNN-RHSMWYFYSA-N 448.549 1.277 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1541801703 BDUPLMCXQCXJOA-QAPCUYQASA-N 441.511 1.992 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCCCS(C)(=O)=O)C1 1541990216 BQHSHTOUHHZNEA-HXUWFJFHSA-N 436.582 1.745 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1542482746 BRXVYNIBGCOFBT-OAHLLOKOSA-N 438.410 1.573 30 10 IDEE CC[C@H](C)c1nnc(N2CCC3(CC2)COC(=O)N3)n1CCN/C(O)=C1\N=CC=CC1=O 1545454535 WLYPMBMMSBDIOT-DCOQFNDQSA-N 443.508 1.397 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CC2=O)cn1 1554337710 BXFXHAPKZSPOOQ-UHFFFAOYSA-N 430.394 1.966 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC2(C1)OC(=O)Nc1ccc(F)cc12)c1cc[nH]n1 1558742584 VEMPZQUNYKJNPI-UHFFFAOYSA-N 431.380 1.132 30 10 IDEE Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2=O 1566231605 RCDWBJXVDBMKPD-GJZGRUSLSA-N 426.473 1.951 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1568629357 PZNLIBJIJCDFQR-QGZVFWFLSA-N 426.448 1.554 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1570842817 UGRCLRMKFFWSQW-ZDUSSCGKSA-N 433.452 1.682 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1587638083 BHPNMPUYUQHURP-QAPCUYQASA-N 433.534 1.576 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1587638094 BLKOIBPRPRQUDS-WBVHZDCISA-N 433.534 1.107 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1588265787 HFYMMNOPNBXYFB-QAPCUYQASA-N 436.557 1.790 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1588929605 DPRRCPBYIAAUBC-WTPASJBYSA-N 449.621 1.685 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1588929758 GANMOMHCOZKUOH-AJYBTWMASA-N 429.565 1.951 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1589484133 RIRVSPOQDWZDHM-QZTJIDSGSA-N 430.553 1.458 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1593691492 WRCUDRSVJFKRSH-MOPGFXCFSA-N 434.585 1.556 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1594807768 YYWRQTANWRMXCV-RBUKOAKNSA-N 432.569 1.371 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595476347 KADXWSFZFNNMHA-SFHVURJKSA-N 431.585 1.228 30 10 IDEE Cn1nnc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1C(F)(F)F 1595533771 URJONHCWADTBIX-UHFFFAOYSA-N 436.373 1.975 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCCOC1 1595551448 QUMMOEUXQVMPBW-LPHOPBHVSA-N 427.505 1.956 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1595884521 MQMJVNIIUVKHDV-LBPRGKRZSA-N 443.517 1.529 30 10 IDEE C[C@H](CC#N)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1619198495 DULHLUDLJSWEBJ-MRXNPFEDSA-N 435.550 1.138 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1619964641 YRIBFTVDZUMQJI-UHFFFAOYSA-N 449.515 1.343 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1620040207 VQGMXCFLTYKDMO-OAQYLSRUSA-N 443.483 1.425 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1620065952 GISZSEGVLFIWNZ-WMZHIEFXSA-N 440.548 1.373 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1624577779 ZEHYKQBAYDMHQL-SFHVURJKSA-N 432.496 1.906 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1cnc(I)c(O)c1 1627067667 AVSJMBHIGNPJCE-UHFFFAOYSA-N 430.246 1.080 30 10 IDEE CC(C)n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1I 1627137395 YCFISSGZVUIVOQ-IINYFYTJSA-N 448.286 1.079 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1628385736 CGDQOZUBLHZEBU-CFBLSMTOSA-N 434.493 1.045 30 10 IDEE CCOc1ccc(Br)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1F 1630035189 SXJMCXOXUSJOBR-UHFFFAOYSA-N 425.214 1.551 30 10 IDEE CN(CC(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)C1=NS(=O)(=O)c2ccccc21 1631330604 GZBDVYHHTWBEEW-SFHVURJKSA-N 437.525 1.676 30 10 IDEE C[C@H](O)c1cn(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)nn1 1632463010 AMGVRYMTFHGLQA-XVRRPWEDSA-N 430.509 1.502 30 10 IDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 1637538573 HWBWINLSJXDRHQ-KNQAVFIVSA-N 445.541 1.903 30 10 IDEE C#C[C@H](NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(Br)cc1 1637663525 UCLDWMTZCFYQEB-RBUKOAKNSA-N 448.361 1.953 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1639636368 FNPDNVIUQSOJNE-KRWDZBQOSA-N 427.526 1.872 30 10 IDEE Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2=O)cc1 1639941730 OAKVNJPKKSJCOU-LJQANCHMSA-N 429.473 1.962 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3onc(CCC)c23)CC1 1643372719 YMLOAPBFZPXCRD-UHFFFAOYSA-N 431.518 1.278 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@@]3(CO)C2)n(Cc2ccccc2)c1C 1648446904 VHBXHFYWDWCRBL-DEOSSOPVSA-N 437.544 1.342 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(CN3CCNC3=O)CC2)CC1 1648462747 DBNOKRXTQMILPM-OAQYLSRUSA-N 442.539 1.272 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)COc1ccc(CC#N)cc1 1657454037 FYEMZCKTOODUCM-AZUAARDMSA-N 447.532 1.977 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 1675828515 GRDGAFCPNXBALX-CQSZACIVSA-N 448.467 1.484 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(SC)c(Br)c2)CC1 1679332225 OACOSQQEBRCMEB-UHFFFAOYSA-N 447.380 1.788 30 10 IDEE CC(C)(C)OC(=O)c1cccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1680776593 CKMUTUILIJBELY-UHFFFAOYSA-N 425.445 1.542 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCCNC(=O)CCCc3ccccc3)CC2)c1C#N 1683486895 AZVBUHNMDNZVSO-UHFFFAOYSA-N 437.548 1.571 30 10 IDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC1(O)CCS(=O)(=O)CC1 1689947345 FHWCDAWKFMZEHA-UHFFFAOYSA-N 428.558 1.757 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689986834 XUSKENFZFJJTJI-FOIQADDNSA-N 429.502 1.401 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1690024249 YBFBHFOTIAUANO-FCQUAONHSA-N 428.496 1.663 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690236400 MFWUTVTXPRLOFS-ULYRPOKDSA-N 439.520 1.608 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1690375306 GQLVCMZBQCHGLH-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1690508450 JMYMPJSPEMTMLM-SJORKVTESA-N 435.554 1.206 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1690723673 XZARHGXDVMPZBB-UHFFFAOYSA-N 427.534 1.350 30 10 IDEE Cc1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693475378 OSLARZQJNWMHKJ-APFMSCDFSA-N 443.552 1.490 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1695442810 DSSGFWLDUWVHAO-UHFFFAOYSA-N 439.520 1.347 30 10 IDEE CCN(CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1695656589 QWWLXWYVMMWIET-IRXDYDNUSA-N 446.577 1.861 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C2CCCCC2)CCOC1 1696085753 DUFZTXACLCIFLQ-DENIHFKCSA-N 432.569 1.923 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1696982193 LOUGFJAPZFKXGH-XUTLUUPISA-N 437.504 1.434 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1697666536 BNOCBGVSOSHYNR-IEBWSBKVSA-N 444.561 1.713 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705524530 NNMMQBXDEZGQSG-YWZLYKJASA-N 435.525 1.539 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1705655443 MGAUJPDWAOIOJJ-UHFFFAOYSA-N 444.561 1.790 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705686583 CXHGRHORPAHTBF-LBPRGKRZSA-N 429.344 1.652 30 10 IDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705720374 SHJRAJCXUKOHQF-NVXWUHKLSA-N 447.923 1.798 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2F)CC1 1705739285 ARUJPLANGYKVIF-UHFFFAOYSA-N 443.527 1.854 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705752044 GPUMSGQOXMSTNQ-UHFFFAOYSA-N 427.962 1.681 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C#N)CC1 1710893547 NNQJGOHRMKIXOI-UHFFFAOYSA-N 446.533 1.743 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H](C)O1 1712302940 BOCLZPZUNGJRBV-QFBILLFUSA-N 442.520 1.447 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1712699970 ORFNMLMIGBHDJQ-FQEVSTJZSA-N 431.518 1.247 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCOC2)CCO1 1712883499 QOJVAIDDKJYUNV-GOSISDBHSA-N 442.907 1.937 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1722352971 MKJUUWXAQHAORS-MWDXBVQZSA-N 428.537 1.802 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1722400754 YKSFXZNLIABJGC-FGZHOGPDSA-N 426.609 1.909 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](COC)OC)CC1 1722430599 GDZIXNGOABZSTQ-XLIONFOSSA-N 431.512 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1722450855 SDFICTQZGVGRBG-GCJKJVERSA-N 431.537 1.119 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1722475613 WCIAVGSKTUBTCC-WMLDXEAASA-N 449.499 1.946 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1722629988 RIMBHWUMSCAZCC-QGZVFWFLSA-N 439.582 1.222 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCOC1 1722675642 PYDPBJSBLBGFFM-JOCHJYFZSA-N 438.488 1.905 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1722680892 COZPAQHIVIYYCD-CVEARBPZSA-N 445.611 1.003 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1722688337 BVFRVZHFGJSYPG-QGZVFWFLSA-N 436.289 1.790 30 10 IDEE CCC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1727954879 WFIRZVFDTXMKKN-WBVHZDCISA-N 425.493 1.579 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730638943 RLGSNOYEHXZCEX-DYESRHJHSA-N 428.493 1.452 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1730878872 XEIBODRJOUJRMG-WBVHZDCISA-N 449.533 1.183 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1740540296 VCKSAMAXABNOHY-INIZCTEOSA-N 429.546 2.000 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1740592509 YTLPYADXSYECJO-MRXNPFEDSA-N 434.591 1.685 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1740607690 AHUVAJFEIRKHJI-OAHLLOKOSA-N 425.555 1.507 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1740610848 MXUPVYKRQFACMO-BXWFABGCSA-N 447.536 1.938 30 10 IDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1740613082 SNGSEDJYXYEGLM-UHFFFAOYSA-N 449.602 1.348 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740628970 XREFPFSSHMMKLO-OALUTQOASA-N 437.610 1.706 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740663985 XGUAPLVLLYZZIS-JOCHJYFZSA-N 449.552 1.683 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2c(C)noc2C)CC1 1740689425 WFHBFDFXTGLMJN-INIZCTEOSA-N 425.537 1.678 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1740751152 YGIYOSVASDDVIK-DOTOQJQBSA-N 439.582 1.411 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)NC)CC2)cc1 1740966301 RNPSXVWDTOSSCM-UHFFFAOYSA-N 441.536 1.491 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCSCC2)CC1 1741056317 HBCMRAVCPXAUKP-UHFFFAOYSA-N 425.562 1.534 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1741634514 BIAPMMUFPISUFL-DLBZAZTESA-N 440.552 1.823 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748638009 HTZKBZQEOBUAEM-IAGOWNOFSA-N 425.537 1.543 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1748730479 LTQYSBPDPGTWTH-UHFFFAOYSA-N 444.499 1.696 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(OC)c2)CC1 1748731953 OYNVLBMCTAYFKQ-KRWDZBQOSA-N 446.577 1.637 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCN(CC)CC1 1748837287 ATXCDKXLEJUUNU-UHFFFAOYSA-N 448.571 1.817 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2conc2COC)CC1 1749017281 ZYFWVCSWODJZLZ-UHFFFAOYSA-N 449.515 1.412 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1749159850 ZZMGKVDVOVNGLD-OAHLLOKOSA-N 429.612 1.909 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749193746 OHVVNAXWLMENKL-IXDOHACOSA-N 425.555 1.192 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1749700440 KFRBWSKQAJUJPF-SFHVURJKSA-N 430.534 1.489 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](COC(C)C)C1 1749729254 FNBDUWKSKMMKSN-SFHVURJKSA-N 435.550 1.571 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(N)=O)nc1 1749957806 VBVXTHAJVJYJHJ-OAHLLOKOSA-N 427.509 1.674 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(=O)(=O)CC 1760147183 JUFIRWVHPMGMBV-UHFFFAOYSA-N 438.575 1.633 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CC1 1760176192 AZXNFRUYPVLPIZ-HKBQPEDESA-N 440.617 1.623 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1760183160 OOTPYLSWQNXXQL-SOUVJXGZSA-N 432.481 1.083 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760190957 XUOYWFKZSDSLHK-QZTJIDSGSA-N 434.587 1.984 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1F 1760205566 DXMLCRVVTRSMBI-IAGOWNOFSA-N 430.505 1.860 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC)CC1 1760302243 XGFUZYMQYLGQKC-ZDUSSCGKSA-N 432.319 1.799 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760306729 KCVROKUNEOFPMT-CYBMUJFWSA-N 435.326 1.737 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCO2)CC1 1760402649 PYYHCOSQSVLJCI-YLJYHZDGSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1760527189 OMHBNYQRFYXGPS-VQTJNVASSA-N 425.533 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1760551601 LSFATUWKLNTTRI-MRXNPFEDSA-N 437.953 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC)[C@@H](C)C1 1760557563 PKIOOMFUWAOXHR-SFHVURJKSA-N 435.598 1.271 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](COC)O[C@H](C)C2)n1Cc1ccc(C#N)o1 1762214321 BDVRPDDXASJGBT-KDOFPFPSSA-N 430.509 1.950 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1764754653 DAIHVCMWFUBPJE-SFHVURJKSA-N 442.545 1.356 30 10 IDEE CCO[C@@]1(c2nnc(N(CC)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1765848441 NNHVVNNCLFPGBT-YWZLYKJASA-N 449.533 1.457 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC1 1766608976 NOCRLQOTCJJBTO-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1767382587 ABSQXKHWNWCLEK-UHFFFAOYSA-N 449.515 1.608 30 10 IDEE COc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)ccc1OCCO 1768307074 GGPPSOXJPLOOEF-GOSISDBHSA-N 427.505 1.950 30 10 IDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1768881403 YAECDXLBXOITJX-UHFFFAOYSA-N 447.561 1.355 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)CC1 1769345078 BEVPAWFUHHNTHL-UHFFFAOYSA-N 433.520 1.873 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 1769490300 WTLRKSUAKMDEJH-QLIIJSOBSA-N 427.505 1.597 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1770074147 YJASHWGCNUHCAG-KRWDZBQOSA-N 446.552 1.571 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(COc2ccccc2F)nnc1N1CCOCC1 1770832739 HMENNDMLUONEMS-FMQUCBEESA-N 442.451 1.359 30 10 IDEE CCc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCO[C@@H](C#N)C4)CC3)CC2=O)cc1 1848477043 IPRPUYNROLRYRW-FPOVZHCZSA-N 438.528 1.591 30 10 IDEE C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NCC#CCN1CCOCC1 1850335450 ZTKMUSXQSHVKKK-CYBMUJFWSA-N 434.345 1.112 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NC2=NCCS2)c(C(=O)OCC)c1C 1860767961 PKFJTYQBFLTPMQ-UHFFFAOYSA-N 425.488 1.734 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc2c(c1)OCO2 1871034038 ARQVZWKDKZSVAK-UHFFFAOYSA-N 427.457 1.613 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCc2ccco2)sc2c1CCC2 1872649684 JVYYSZFYTCICGP-UHFFFAOYSA-N 427.442 1.961 30 10 IDEE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCN1CCc2ccccc2C1 1889426388 YAJHBGGXVBAPES-LJQANCHMSA-N 434.565 1.947 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CC(OCc3ccccc3)C2)CCN1Cc1ccccc1 1977426313 MZLXNORVGRNJPT-NRFANRHFSA-N 426.542 1.842 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(CC#N)CC2)CCN(Cc2ccccc2)C1 2010545428 VOGIHQOVAYZRCD-HSZRJFAPSA-N 427.549 1.824 30 10 IDEE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248444430 AHXQCGWXRZFLJY-GHMZBOCLSA-N 442.347 1.126 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619407 OXJYAXBPXNBRTO-WDEREUQCSA-N 430.236 1.381 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632235 KMVAQRQTLKKVOL-XPKDYRNWSA-N 432.330 1.837 30 10 IDEE Cn1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825571 BOQYEHJOYSXRLW-UHFFFAOYSA-N 434.346 1.802 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129288 ZGEPMNWNFVAPKV-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267167071 AUEAJXYRGXSQPL-HSZRJFAPSA-N 438.337 1.143 30 10 IDEE Cn1ncc(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2267191298 AMTWZZMHUZEDDW-UHFFFAOYSA-N 446.317 1.719 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267543553 HTCAEBYOZQMHJH-KBPBESRZSA-N 449.361 1.538 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=[S@](C)(=O)CCN)cc2Cl)OC1(C)C 2267704307 LMSQAQQTOXWPEA-XMMPIXPASA-N 428.794 1.446 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267882187 OWMKWCOPRGCHJQ-VXGBXAGGSA-N 442.247 1.447 30 10 IDEE C=CCO[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270506511 SLYRCFHNSWVVLT-IAGOWNOFSA-N 426.491 1.363 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1C[C@@H]2CC[C@H](C1)C2=NO 2285897213 SNXRJBZVBUEYLB-IIPZRCANSA-N 437.493 1.949 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1cc(F)cc(C#N)c1)NC(=O)OCc1ccccc1 2286021442 OIHYXGAYCDILGS-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12 2337184491 QTPYYFLYDBHLFE-RRFJBIMHSA-N 446.357 1.847 30 10 IDEE CS(=O)(=O)C1(C#CC2(OCC(=O)O)CC(NC(=O)OCc3ccccc3)C2)CCC1 2367799290 ZMMGQBWEKFLZEH-UHFFFAOYSA-N 435.498 1.886 30 10 IDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccc(F)cc1 20527422 FMXKLOZRHQARBO-DNTJNYDQSA-N 446.424 1.922 30 10 IDEE O=[N+]([O-])c1cccc(/C=C/C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 254308488 JJPSKWJUDGAJFR-RTIROUKOSA-N 440.464 1.564 30 10 IDEE N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C(F)(F)F 438641222 LMPUMJTXKVKBMF-UHFFFAOYSA-N 447.439 1.304 30 10 IDEE CSc1nc(O)c(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1C#N 439894576 DCPNENNNKBXZHH-VXGBXAGGSA-N 430.490 1.465 30 10 IDEE C=CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 448378410 YLYVYXMMSSWODU-UHFFFAOYSA-N 439.534 1.516 30 10 IDEE CCC(CC)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCOCC1 460755906 GBLZZEGTHFKYKL-NRFANRHFSA-N 448.589 1.528 30 10 IDEE COCC[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 464569678 NRUYNIPUVPCAKB-YWMLMAQZSA-N 433.508 1.901 30 10 IDEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490218009 SOEWUDISNNCWRZ-RTBURBONSA-N 432.546 1.658 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 507085514 LSYLGNOOELRRRP-AXHZCLLHSA-N 440.544 1.963 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 508476569 FJLMBEQZHJUHIX-IBGZPJMESA-N 443.504 1.532 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 508912083 KDSBTSLISAMGFH-SJORKVTESA-N 435.554 1.143 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1 513111015 XEPDGLFGMFCJAW-UHFFFAOYSA-N 428.514 1.038 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CO)c(F)c3)CC2)cc1 535997866 GJVGDBDEQVMDAT-UHFFFAOYSA-N 431.489 1.907 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCSC)c2=O)c1 539596803 GEDNYDPQTQZFFD-UHFFFAOYSA-N 444.582 1.157 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)oc3C)n2C[C@H]2CCCO2)CC1 555397495 HPKVIVPXESAMDC-GOSISDBHSA-N 428.537 1.758 30 10 IDEE N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCC1 582837832 HPAFOYIKSHXPEC-MRXNPFEDSA-N 427.548 1.257 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 588151526 VISRMTUEABXSKZ-CQSZACIVSA-N 440.521 1.994 30 10 IDEE CC(=O)NCCN(CC(=O)Nc1sccc1C#N)CC(=O)Nc1sccc1C#N 602267281 LYFRNCJBFIWXEU-UHFFFAOYSA-N 430.515 1.568 30 10 IDEE COc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 609801288 IIYGTRULFGJFGM-UHFFFAOYSA-N 435.527 1.403 30 10 IDEE CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 616582569 JBVVDXJXIDYDMF-XBOHBVCZSA-N 446.540 1.688 30 10 IDEE biogenic,in-vitro CS(=O)(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C1 619850158 TXIAYBIDCRQBAF-ROUUACIJSA-N 430.534 1.514 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669805041 BVBMPBNJVDEWGL-LJQANCHMSA-N 435.532 1.890 30 10 IDEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 729332515 ZSSINAULISWMDO-SFHVURJKSA-N 432.523 1.750 30 10 IDEE C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465222 DZSRPJNWMJPIBH-UGNPLGLKSA-N 441.532 1.445 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC(=O)O 757353800 GSWROUZKNWIHIQ-HXUWFJFHSA-N 449.463 1.234 30 10 IDEE CC[C@H](CO)N1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 759634372 WCNNGKRVVXGAKO-SJLPKXTDSA-N 436.578 1.055 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771293415 LZVLVQGSSBIXFD-DEOSSOPVSA-N 448.479 1.772 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(CCc2nnnn2C)C1=O 771551458 ATPMCEIAOSNBHX-ZDUSSCGKSA-N 437.913 1.182 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1)c1cc[nH]n1 772281402 OQFXLXHGBGCHIV-HOTGVXAUSA-N 443.504 1.941 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CCS(=O)(=O)C1 774219393 HTONSWVZWHREQT-HUUCEWRRSA-N 427.473 1.699 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)n1 788695086 CUKWLDQGEFTESS-UHFFFAOYSA-N 428.514 1.189 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CCN(c2ccccc2C#N)CC1 793570212 BSXMFIUBHUXKAP-QFIPXVFZSA-N 439.516 1.259 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 795328593 UKGDFLDVNMHFMH-CYBMUJFWSA-N 433.408 1.181 30 10 IDEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)Nc1ccc(I)cc1 798740892 DRMKUPLWTQDQEP-ZJUUUORDSA-N 439.213 1.886 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H]2CCOC2)CCN1C1CC1 802759346 JJRKXHGUHMWLQX-WBVHZDCISA-N 446.515 1.807 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)Nc1ncccn1 828105381 BCQGFPGIMLUTOO-HIFRSBDPSA-N 445.501 1.644 30 10 IDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OC 916935329 OXDRFGFWCAQFOV-OAHLLOKOSA-N 442.472 1.948 30 10 IDEE CC(=O)N1CCN(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)CC1 1132620246 UCNGGXBWUIYBBP-UHFFFAOYSA-N 441.513 1.032 30 10 IDEE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1143636575 YQAGVBAIZPYRAG-QGPMSJSTSA-N 430.436 1.513 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCc2ccccc2NC1=O)/N=C1/NS(=O)(=O)c2ccccc21 1164117219 FAGZNENEINQWTO-CXAGYDPISA-N 426.498 1.573 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(=O)n1CCO 1166714732 XUSPZVGBXCLUMK-SNVBAGLBSA-N 425.272 1.367 30 10 IDEE Cn1ccnc1C1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1175845113 KLHPCYRCIYZZTR-QGZVFWFLSA-N 428.562 1.174 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)CCNC(=O)C(F)(F)F)nnc12 1188023074 ZZPQNGUYBXASMQ-UHFFFAOYSA-N 439.419 1.960 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1233928059 MIZMADUUJGGUPZ-GJZGRUSLSA-N 441.269 1.512 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cnn(C(C)(C)C)c1I 1266526122 PBVAFXFUNLPKKC-UHFFFAOYSA-N 425.292 1.573 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 1274417024 FKBPVFYYPKUWTL-INIZCTEOSA-N 448.526 1.663 30 10 IDEE CN1CCC(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)(N2CCOCC2)CC1 1275943364 SUZTWWVPZYSVKR-GOSISDBHSA-N 437.585 1.486 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1286373484 GOCMGVPGYVWMRB-OAHLLOKOSA-N 440.570 1.011 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)CC)CC1 1286493562 DXFSCWSOQJDPOV-NPPFBWRTSA-N 433.553 1.129 30 10 IDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286499280 GTLNWBYVSZJTBN-CQSZACIVSA-N 445.545 1.649 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286652290 DLDIKULTVJKFSY-MRXNPFEDSA-N 430.534 1.763 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1286781648 WILIOSNHXJPZIT-OAHLLOKOSA-N 449.556 1.164 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286923002 XOIJVRPBROYOJM-MXLIYFDZSA-N 429.525 1.280 30 10 IDEE CN(C)Cc1csc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1288930506 VOQRBHWNTVOUIY-MRXNPFEDSA-N 426.502 1.598 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)CCS2(=O)=O 1289584171 XXYSXZFOTKDUCE-LCUHEZEJSA-N 429.498 1.256 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)n1 1290646216 GWWTWPOJLCZXSQ-VQTJNVASSA-N 442.568 1.225 30 10 IDEE COc1cc(N)c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1Br 1296472695 VMNVEKCUSZMFSQ-UHFFFAOYSA-N 433.310 1.916 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300336360 DOPOQANYCKAYJG-UHFFFAOYSA-N 443.552 1.521 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300485602 XLKYDIDDCAPXQE-ZWKOTPCHSA-N 438.594 1.788 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300504622 PEEUCYMMBRWSMB-HZPDHXFCSA-N 436.509 1.658 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1300690855 RSXJLAPMHCGULI-HXUWFJFHSA-N 426.565 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CC)CC1 1300723103 QDRKMMALHUSTGZ-JOCHJYFZSA-N 442.520 1.133 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1300769212 CALHQQGZEOUDTD-IBGZPJMESA-N 440.577 1.608 30 10 IDEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300932318 IENNXBMJHGHUTA-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccn2)CC1 1301085848 BSHHLERNPCMXCP-SFHVURJKSA-N 432.550 1.405 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1301508076 CZEUIENORQRQPZ-UHFFFAOYSA-N 436.560 1.733 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301514239 HFWUCJUHCYGBDE-WZONZLPQSA-N 441.532 1.852 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1301989061 JQVQIMDILMZTQF-GCKMJXCFSA-N 431.493 1.899 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1 1303721363 CVMFTRJKXXGKTB-SOLBZPMBSA-N 431.518 1.376 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1303933246 HRFYLHTXXYOFQT-QRWLVFNGSA-N 434.566 1.369 30 10 IDEE COC(=O)CC1(CS(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1309655949 FTGXWEPRZJKATJ-UHFFFAOYSA-N 443.529 1.743 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)CC1 1310188936 RXCLLLSYZAAYRZ-QGZVFWFLSA-N 436.534 1.252 30 10 IDEE C#CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1311891285 KSVIQOVIXOLUAV-UHFFFAOYSA-N 430.571 1.359 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1314504517 GVICWKJKVYZQRH-WMZHIEFXSA-N 438.532 1.927 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1 1314892131 DMAGKTHVTGMZLC-UHFFFAOYSA-N 433.534 1.636 30 10 IDEE COCCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1316030019 HCOJQWDLTGFDHS-QGZVFWFLSA-N 439.568 1.501 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1316179793 WWBLSUGSXIUXBY-VBKZILBWSA-N 431.472 1.846 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1320206245 XDUIUMVCHRJNLA-OAHLLOKOSA-N 447.513 1.378 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccn(CCn3cccn3)n2)cc1 1357543537 LKHFZCBFEAVZAA-CLCOLTQESA-N 441.517 1.845 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358955755 SSCBMAONECPUIC-CEXWTWQISA-N 447.605 1.967 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1358966904 ZHKLEMTUALNHRI-INIZCTEOSA-N 434.591 1.846 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358967523 MBFVTVXVWKEIHM-QZTJIDSGSA-N 436.578 1.842 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC=CO2)CC1 1359041139 OHLKPPATQNWEAA-HKUYNNGSSA-N 431.537 1.661 30 10 IDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359117098 DOYCQJZVISNIOK-KRWDZBQOSA-N 443.939 1.994 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1359305041 RDHUDYCTVNUKJN-QGZVFWFLSA-N 440.504 1.363 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359334789 QVJRNYJBYZQFSX-DLBZAZTESA-N 437.566 1.149 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1360173202 QDPVVVUPTDUFFV-CZIZESTLSA-N 437.504 1.579 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1360471363 GPXDASGFCCIPHS-PBNKOMEISA-N 439.549 1.960 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCc2nccn2C1 1360667493 ZSDBCHCKYVRFSM-RDJZCZTQSA-N 446.581 1.477 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(Br)cc4c3OCCO4)C[C@H]1CS(=O)(=O)C2 1439798190 SIONNFAIWHWQCD-MGPLVRAMSA-N 427.276 1.231 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1=O 1447481152 XBCXWXPXRRFFND-IBGZPJMESA-N 442.516 1.911 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)c1 1450100071 PPUCJHCQPRZVLQ-VQTJNVASSA-N 442.493 1.333 30 10 IDEE C#CCO[C@H](C)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1453823629 CTSHYBHIZYQYRR-MRXNPFEDSA-N 425.489 1.975 30 10 IDEE C#Cc1cccc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1464977948 BEBCZWWBKSFPPS-UHFFFAOYSA-N 442.541 1.950 30 10 IDEE N#C[C@H](NC(=O)COc1nsnc1N1CCOCC1)c1cccc(Br)c1 1466107638 SXXBJHWXFLBFLZ-ZDUSSCGKSA-N 438.307 1.897 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nn1 1470063108 YHUDGSLBBNXXKS-QGZVFWFLSA-N 430.484 1.120 30 10 IDEE C#CCN(C)CCCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1470355742 IVZBDYAWJABCDK-KRWDZBQOSA-N 436.553 1.574 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1470401227 QEEKFMIZZOBRII-ACJLOTCBSA-N 433.511 1.011 30 10 IDEE N#C[C@@]12CN(C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)C[C@H]1CS(=O)(=O)C2 1478574546 KUHZTOCTBIGPJM-GIOUXUJVSA-N 434.484 1.371 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1503258765 DVEWFKCEBAKYIC-HZPDHXFCSA-N 433.534 1.777 30 10 IDEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503819581 HBRWRCIKBJVOIT-GOSISDBHSA-N 427.484 1.603 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1504520617 FDTDVXIWCOWQQP-CEXWTWQISA-N 445.545 1.492 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1505129123 ALZPYYNFFITZQX-UHFFFAOYSA-N 440.533 1.301 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507578885 FGIDSELCJLYOFY-GOSISDBHSA-N 440.552 1.656 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1507608225 GXIAWYWOMSTAFE-UHFFFAOYSA-N 434.909 1.776 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C1CC1 1507620480 GPHSUFDFCROVBU-UHFFFAOYSA-N 435.576 1.238 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507630935 AGMGPIPNWATLIK-AQNXPRMDSA-N 449.621 1.673 30 10 IDEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1508393841 VBCGHABSMAFKRL-UHFFFAOYSA-N 447.547 1.793 30 10 IDEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)s1 1511749868 FMUJZZIKFIEUFC-HNNXBMFYSA-N 429.531 1.648 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1516783817 IMDNIFWWAJDKJD-QFBILLFUSA-N 447.561 1.882 30 10 IDEE N#Cc1ccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1521083466 WOBFVALOOMINSK-HUUCEWRRSA-N 447.421 1.210 30 10 IDEE CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1537005358 DVGJIDCGUCITHB-ORAYPTAESA-N 437.522 1.362 30 10 IDEE Cc1cc(C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1I 1538540526 YGNIRUDWCMQAED-LRDDRELGSA-N 444.294 1.918 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(OC)CCOC1 1539001778 JQHFHUAOVYUZJS-QRWLVFNGSA-N 432.550 1.502 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539206777 VXRYLGMSHUSSEK-INIZCTEOSA-N 434.518 1.287 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CCOCC1 1539405702 JAQSPYFEOSJFAV-SFHVURJKSA-N 441.532 1.728 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC[C@@H]2CCCCO2)CC1 1539466972 KMIHQPORCUVJAL-IBGZPJMESA-N 444.580 1.731 30 10 IDEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539586057 FJSPARAATXKSCY-UHFFFAOYSA-N 437.342 1.965 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)C(=O)OC(C)(C)C 1540534447 ZEBNYSBMRSLPPF-OALUTQOASA-N 434.581 1.505 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541670571 WTSOCFYCKNCYAU-HTXNQAPBSA-N 429.525 1.713 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 1544630378 IHEZKMFMYDJWPU-OAGGEKHMSA-N 435.546 1.589 30 10 IDEE CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1546018806 IXTBBBPGNLVYSO-SJLPKXTDSA-N 428.541 1.795 30 10 IDEE CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1547790521 FIOYWDGCUIFAKS-KRWDZBQOSA-N 441.492 1.799 30 10 IDEE CN1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CC1(C)C 1554364142 CEJWEDLZPYSFMM-UHFFFAOYSA-N 439.564 1.591 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1555690863 UYBTYWUPAIJQRO-IBGZPJMESA-N 426.521 1.973 30 10 IDEE C=CCN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@@H](Cc1ccccc1)C(=O)OCC 1556205154 RTEAUTSSPRUXTG-SFHVURJKSA-N 446.529 1.320 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cc2c(OC)cc(OC)cc2OC)c1 1556657771 VENGBAMEOIWYRR-HNNXBMFYSA-N 446.525 1.985 30 10 IDEE Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1S(=O)(=O)N(C)C 1562140106 CWQPSBYFQSVZIM-UHFFFAOYSA-N 428.518 1.866 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 1564376716 QKSJFLDHUWNIGO-PZJWPPBQSA-N 447.605 1.082 30 10 IDEE CCCn1c(CCC(=O)NCC#CCO)nc2cc(S(=O)(=O)N(CC)CC)ccc21 1568142055 MCMBHIHWQANRRS-UHFFFAOYSA-N 434.562 1.521 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)F 1588245986 XQXHLXHCIGCFJZ-UHFFFAOYSA-N 442.470 1.951 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1589367435 UXWPCMCNSONWDH-CQSZACIVSA-N 448.325 1.948 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1593689922 GDYIZTJMIADFEL-INIZCTEOSA-N 431.497 1.376 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c1 1613437986 DERDSXQVPQOWEK-UHFFFAOYSA-N 426.502 1.871 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1COc2ccccc2O1 1619910190 YXAPQKWEVPRTIQ-INIZCTEOSA-N 428.493 1.623 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)CC1 1623498816 FLTQFUZLOYZPGF-UHFFFAOYSA-N 426.517 1.491 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](N4CCOCC4)C3)C2=O)cc1 1624433833 KWHZFYOLFRHSQA-RBUKOAKNSA-N 425.489 1.086 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1624756909 UOTQCVWEQPYEDA-KRWDZBQOSA-N 432.565 1.448 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1626364582 RSPNUYDZHZOQNZ-QRVBRYPASA-N 438.546 1.814 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cn1 1632482889 LOOSCAIIOUZNSL-IEBWSBKVSA-N 434.431 1.421 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634188054 MMFXBZDRFSAOCM-AEFFLSMTSA-N 433.534 1.024 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C#Cc3cccs3)CC2)cc1 1640017055 PLPKLLUKFCKWBT-UHFFFAOYSA-N 433.555 1.376 30 10 IDEE C[C@@H](C(=O)N1CCc2nc[nH]c2[C@]12CCN(C(=O)OC(C)(C)C)C2)n1cnc(C#N)n1 1641922833 PBMMQNZVSTWKOF-RNODOKPDSA-N 426.481 1.355 30 10 IDEE CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1649576675 KKCWJZYLMMEVJA-UHFFFAOYSA-N 427.509 1.502 30 10 IDEE C#CCN(Cc1cc(OC)c(C(=O)OC)cc1Br)[C@H]1CCS(=O)(=O)C1 1653710167 DXQFXUAUWJFQRV-ZDUSSCGKSA-N 430.320 1.867 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 1658630785 BOFQZFYKOFHMOC-MRXNPFEDSA-N 439.607 1.737 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 1659832043 UIHXXIQZBIXLIK-UHFFFAOYSA-N 442.495 1.495 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C1CCOCC1 1660586553 XUZRYDSRCJGOKX-QGZVFWFLSA-N 427.461 1.117 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(C)cc2Br)CC1 1669829495 VLKFAUUKJOKYNL-UHFFFAOYSA-N 448.770 1.467 30 10 IDEE C=CCOc1ccc(CNC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1672604890 KUGZOXFTFVNGRZ-BATSVXPKSA-N 436.530 1.950 30 10 IDEE CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1681732947 GRJFESJYDOQELA-JQVVWYNYSA-N 430.574 1.867 30 10 IDEE N#C[C@@]12CN(C(=O)NC[C@@H]3CN(c4ccc(Cl)cc4)CCO3)C[C@H]1CS(=O)(=O)C2 1682748014 FRBWLBXKUKJDLS-YJLNNSPDSA-N 438.937 1.125 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689986407 PBEALGZHXSCXHX-SJORKVTESA-N 432.546 1.863 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690334736 ZOGCSCUUPJCUOZ-UHFFFAOYSA-N 441.923 1.742 30 10 IDEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690485561 WUMTZHMYKOQBRB-HXUWFJFHSA-N 440.548 1.967 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1690680998 CJROKYSSUHEJCF-SFHVURJKSA-N 438.532 1.840 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1690997012 BMUMZIDOCVYNRR-AWEZNQCLSA-N 431.518 1.889 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNc1ccccn1 1694355823 XBBMMHRNPVODMN-QGZVFWFLSA-N 426.525 1.822 30 10 IDEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1694709494 NNLKPZDYVROHKW-DENIHFKCSA-N 443.573 1.721 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705511649 BCMNICWAOCGQLA-JOCHJYFZSA-N 433.520 1.687 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1705558721 GRKWJXKYICYVHZ-SFHVURJKSA-N 445.520 1.328 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCOCC2(C)C)CC1 1705641279 YPHJOYUODAVHPI-UHFFFAOYSA-N 440.567 1.874 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(OC)CCOC2)CC1 1705643053 QXPUPXLZBLJNLT-QFIPXVFZSA-N 429.496 1.557 30 10 IDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1705654173 ZGOWGXIHCHIWOL-QGZVFWFLSA-N 435.594 1.817 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705660196 PFSLLXBCJGPPFV-HNNXBMFYSA-N 427.596 1.057 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705662118 QOZUREUDBGFTQM-SFHVURJKSA-N 440.573 1.574 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1705716093 ZCHWHXMHHMIUKE-KRWDZBQOSA-N 432.550 1.588 30 10 IDEE C=C(C)COCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705740851 YLIOKCOAJPJKLT-HSZRJFAPSA-N 447.580 1.972 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1705843353 CTRZSFCCZVQCGR-ZOBUZTSGSA-N 427.571 1.437 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)C1 1705916676 MQJBVLOHINXYDD-AWEZNQCLSA-N 448.329 1.894 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC)N2CCCC2)C1 1705924299 BUVQOFUGTBAEPN-GUDVDZBRSA-N 437.610 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705932446 DNARZKVBBSGGQL-WMZOPIPTSA-N 429.546 1.569 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(C(C)(C)O)c1 1706069298 ACEMSXFYKOHAAA-GJZGRUSLSA-N 434.566 1.760 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1709840204 JBRDSUINFJWXHD-YLJYHZDGSA-N 437.548 1.500 30 10 IDEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1710060263 HMIDPJGLYBYKQP-WOJBJXKFSA-N 440.548 1.909 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)CC#N 1710902512 URCWJPHNGXSYJF-CYBMUJFWSA-N 426.493 1.825 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1712884375 KRBRVCCZSWTWBF-RYUDHWBXSA-N 436.398 1.009 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712884768 RRESHNLGGZYZSZ-ZWKOTPCHSA-N 447.490 1.349 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722305867 DUQJRBYHJCQEFL-INIZCTEOSA-N 445.549 1.199 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722379793 YLZMSJWFCQCHIK-QGZVFWFLSA-N 428.504 1.309 30 10 IDEE C=CCCCn1c(COCC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722620092 CDOBPIJKCVYKAU-UHFFFAOYSA-N 432.569 1.721 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1722686094 SJWYEAMXURHUAB-OAHLLOKOSA-N 435.525 1.841 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722698231 WPKFTIOUIDOJKN-FQEVSTJZSA-N 435.532 1.431 30 10 IDEE CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1723498129 ZFMRAZGCWHUFMN-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1729736520 CIQSFRJCPPPMRW-CQSZACIVSA-N 436.513 1.846 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)OC 1730464230 NFSHYPUSCMJOLD-UTKZUKDTSA-N 426.477 1.509 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2(O)CCOCC2)c1 1740565115 JWWOQVIUDRQMHT-LJQANCHMSA-N 439.516 1.727 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621975 RGMBAJAKWLMZFA-GOSISDBHSA-N 432.594 1.641 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1CCN(CCN(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740622286 BLKLNJZZNVUUGS-HXUWFJFHSA-N 448.637 1.056 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740626039 VBUDVUAYMDLOCW-CHAGWJKLSA-N 426.608 1.405 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740627625 ROEVYXROCXWZTI-MOPGFXCFSA-N 435.594 1.285 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)CC1 1740696332 RHICFZAEGVDNFQ-CVEARBPZSA-N 427.521 1.371 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740709771 RDEZXEIYSAYNIW-HUUCEWRRSA-N 429.612 1.506 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740722618 KONRTWVKNSTWEN-QFBILLFUSA-N 441.557 1.947 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1740899429 MKGYJQGAMCQRHK-MOPGFXCFSA-N 448.593 1.536 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(CC)(CC)C1 1740960319 PIDYBSDDYLMNOV-OAHLLOKOSA-N 441.623 1.594 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1740965604 CMLBPKXOQGSKSL-UHFFFAOYSA-N 449.515 1.643 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3nc(C)no3)C2)nnc1[C@@]1(OCC)CCOC1 1740965993 UVULAXHWONPDHJ-IIBYNOLFSA-N 445.524 1.308 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1741076412 HUFGUICPXYQYQB-HKUYNNGSSA-N 442.545 1.356 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1741713989 NUQIUYCBPZAANK-AUSJPIAWSA-N 433.513 1.045 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1741714239 PYSIGFDVFWHTIS-FRQCXROJSA-N 425.555 1.492 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCSCC1 1748652022 VWTXKQIAQINSDY-MRXNPFEDSA-N 433.603 1.855 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1748814997 MRERQXVVFIYLPS-GOSISDBHSA-N 433.578 1.479 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1748859351 SFNQCJPAMACYEP-SFHVURJKSA-N 444.536 1.186 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2C)CC1 1748989752 OGYQFVFFLGNPLB-LJQANCHMSA-N 445.564 1.626 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)NC(C)C)CC1 1748993828 NXUHIUIMGVVJAE-UHFFFAOYSA-N 436.607 1.013 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749022396 JFCJHFUITLJQGJ-HRCADAONSA-N 427.596 1.118 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749031848 KYBPENCPZQUVAC-INIZCTEOSA-N 427.534 1.406 30 10 IDEE C#CCSCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749050020 VGDHMNNECFAVCQ-WNKDZCFJSA-N 449.577 1.977 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749119975 ZCJRIXRURGWPHV-MLHJIOFPSA-N 442.582 1.607 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1750354887 PKXVIPUNDREUPZ-FUHIMQAGSA-N 437.548 1.641 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760144695 YQIQXUHBPAOUNX-FQEVSTJZSA-N 438.532 1.902 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1760197254 YSDXYQBOYINPTA-PKTZIBPZSA-N 425.533 1.402 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1760248695 COQWZESKTYIGDI-SFHVURJKSA-N 446.529 1.454 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCC(F)(F)F)CC1 1760254662 FKEILIMRLLIOAB-UHFFFAOYSA-N 436.438 1.387 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760354564 GNZZGPRRCQJDNH-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1760464716 NGYZCEQSXFHHOW-QGZVFWFLSA-N 441.504 1.754 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760527357 UGEQGCQJOMLCKO-QGZVFWFLSA-N 426.525 1.049 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)CC1 1760550828 KLMORQUZCHZHGL-UHFFFAOYSA-N 448.505 1.123 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCCC2)CC1 1760556147 VWHWSLWQLVDDGD-SFHVURJKSA-N 437.610 1.838 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1764913631 CPIHPIGSDHVKRU-QGZVFWFLSA-N 428.562 1.864 30 10 IDEE CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1)S(C)(=O)=O 1766520959 ZOQFWLMRZGDDRI-UHFFFAOYSA-N 444.561 1.592 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1766932311 IYMYOSPVWQEYPI-GOSISDBHSA-N 432.550 1.018 30 10 IDEE CN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1766975495 VJNQDLHNWFPJBC-HNNXBMFYSA-N 448.549 1.545 30 10 IDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1769226675 GVUJSHRQEFNKJX-JXFKEZNVSA-N 442.520 1.353 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@@](C)=O)CCC1 1770202611 UKJVULBKRXLTHL-IWNGEAPWSA-N 425.530 1.745 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772790609 RCFNTZZYWCPQSH-ZDUSSCGKSA-N 432.458 1.182 30 10 IDEE NC(=NOCCC(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)c1ccc(F)cc1 1853421601 NYYNVLYJVCKWTM-UHFFFAOYSA-N 426.448 1.293 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)CC1=O 1854002414 MFOFYJBSYMAIEE-KRWDZBQOSA-N 433.530 1.006 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(Oc4ccsn4)CC3)CC2=O)CC1=O 1856796741 VLGHOQMPBJOKSS-JKSUJKDBSA-N 432.546 1.396 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3COc4ccccc4C3)C2)CC1 1857053778 VOPNZCGAKVDQGG-MSOLQXFVSA-N 431.514 1.178 30 10 IDEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1c[nH]c2c(I)cccc2c1=O 1866445892 NCOBCAXTWCDADC-SECBINFHSA-N 439.209 1.962 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c[nH]nc3c2)cc1OC 1870098383 BDSYKTYEQSAGLQ-UHFFFAOYSA-N 425.430 1.833 30 10 IDEE Cc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1[N+](=O)[O-] 1870150822 UGENLOHBFVYMEV-UHFFFAOYSA-N 431.368 1.834 30 10 IDEE CCn1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)c(=O)c2cc3c(cc21)OCO3 1891921161 LZZOVHVZIPMQAP-UHFFFAOYSA-N 432.440 1.373 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 1985007776 CBJUMDXFPXHNHE-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637620 MXOFFPUHNVEDPR-SNPRPXQTSA-N 430.314 1.970 30 10 IDEE CC(C)(S)[C@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C(=O)O 2074723457 UDNCKZLUAMRCSA-PXAZEXFGSA-N 432.495 1.092 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COS(C)(=O)=O 2087928406 TZEYKLAAPSZABE-YQDJYLBVSA-N 438.542 1.542 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243397727 IDEUNMICISROTR-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2248419548 CHRLKPKHTJQTDE-GFCCVEGCSA-N 438.359 1.891 30 10 IDEE Cn1cc(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255624159 CNICEUFAWBRZPV-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644779 KWELPILKWXIJHL-HIFRSBDPSA-N 432.330 1.904 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255649710 LTZSPMSRXRDBLG-UHFFFAOYSA-N 427.285 1.908 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255833145 XUVCKZTUZLDLKE-YDHLFZDLSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267166274 PUHQBGDTYFPHJY-IMJJTQAJSA-N 444.341 1.761 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)n1 2267182871 CATNSZSWPAQSQS-GASCZTMLSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267282256 ANNVLEUHVBDHDC-AWEZNQCLSA-N 448.325 1.775 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2290347339 GWFQSLAAWWHVKP-OAHLLOKOSA-N 441.322 1.358 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2301662379 OHQNXANKJMBLKO-GFCCVEGCSA-N 441.359 1.712 30 10 IDEE N#CCCN(CCN1CCOCC1)CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 96980949 GADPISPVQIJIJN-UHFFFAOYSA-N 433.984 1.532 30 10 IDEE COc1ccccc1[C@@H]1/C(=C(/O)c2c(C)n[nH]c2C)C(=O)C(=O)N1CCN1CCOCC1 102758046 QDQNHQGJYTWSKU-GOBJLOIFSA-N 440.500 1.789 30 10 IDEE C=CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 410071738 JJASWJDMFWIIBD-OAQYLSRUSA-N 443.569 1.860 30 10 IDEE CCN(CC(=O)OC(C)(C)C)C1CC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 426448396 BJNSHAGZEMYKBT-UHFFFAOYSA-N 426.517 1.758 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C1CCC1 431021943 BIKQIHDFCFOPTI-UHFFFAOYSA-N 440.481 1.357 30 10 IDEE CCc1csc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 434779570 WZPKYLQINKIWJM-UHFFFAOYSA-N 433.515 1.049 30 10 IDEE N#Cc1ccc(OCCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 461202775 QEYWPSRVUFSMOT-UHFFFAOYSA-N 445.497 1.583 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1S(=O)(=O)NCC#N 467820196 CXPFIWUGANRYDA-LPHOPBHVSA-N 440.525 1.716 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 481384703 VGQRWTJMUXWDCB-LJQANCHMSA-N 425.507 1.433 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(=O)sc3ccccc32)CC1 525598308 CTTHJJFPMKIOPR-UHFFFAOYSA-N 442.522 1.468 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)Nc3nnc(C)s3)cc21 526885824 NDMZVVXVIGKPPN-FDECTACXSA-N 448.526 1.717 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1Cc1ccccc1 533579559 UTIMIUKAYATSLP-UHFFFAOYSA-N 427.888 2.000 30 10 IDEE C=CCNC(=O)CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 538601879 DVOSIJDLCXWVCJ-OAHLLOKOSA-N 425.938 1.817 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCCC 541288918 TUJIDSDXTFUOPX-UHFFFAOYSA-N 439.566 1.762 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(N4CCOCC4)c3)C2=O)cc1 541874913 DOIOEYFWGGBIPQ-OAQYLSRUSA-N 447.495 1.645 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 548852135 YXTDRFKEMBVMCK-INIZCTEOSA-N 431.518 1.864 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 549670174 WYQMSMRPBFUMGS-ROUUACIJSA-N 449.581 1.534 30 10 IDEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)CC1 553330508 LJGAGJCUVCGPJU-UHFFFAOYSA-N 426.561 1.365 30 10 IDEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 559089175 XCAMOZGYOBKIGU-UHFFFAOYSA-N 439.564 1.985 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)c1C#N 567441948 DLXZFOFANKCIOC-MGPUTAFESA-N 437.479 2.474 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 590913988 IJZRBMAXLJASCW-SFHVURJKSA-N 425.554 1.673 30 10 IDEE COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 603990277 WPEDZDWVCZOKRT-KRWDZBQOSA-N 440.521 1.604 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(C[C@@H]2CCCO2)c1=O 642092641 XPWWVOLCMHOTAF-HNNXBMFYSA-N 438.484 1.347 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669804458 CMCBYALLEDRYPB-OALUTQOASA-N 446.577 1.638 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(OC)ccc3nc(Cl)ccc23)CC1 725820589 XEVMVDBOSCWMCO-UHFFFAOYSA-N 438.937 1.505 30 10 IDEE COc1cc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 732669999 RYEZGMXENOFXDP-LBPRGKRZSA-N 430.324 1.827 30 10 IDEE Cc1nn(C)cc1C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 733679118 DDSWTTVRHIGNOL-KRWDZBQOSA-N 429.502 1.864 30 10 IDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(C#N)nc2)CC1 734602590 QZTJBENWVSGNSX-UHFFFAOYSA-N 435.484 1.510 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@H]1CCCO1 743728706 OVFIFDOGSCTRER-CQSZACIVSA-N 432.571 1.273 30 10 IDEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)c(=O)[nH]c21 750413898 FKUFCNOJCDUSBR-VOTSOKGWSA-N 425.470 1.837 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OC3CCN(c4ccncn4)CC3)C2=O)cc1 752578995 RPHLTZNIFQLFEH-SFHVURJKSA-N 434.456 1.765 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758067592 HEKQFFQIZZGMKK-UHFFFAOYSA-N 443.594 1.558 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 767837724 YDSVTDCUIZISQS-UHFFFAOYSA-N 433.280 1.330 30 10 IDEE Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n[nH]1 768743923 CBGJWHRUAYNPTL-NZZMRGDMSA-N 446.533 1.217 30 10 IDEE C#CCN(C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774170149 DWWCSYHNSAROOU-QAPCUYQASA-N 433.530 1.237 30 10 IDEE C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 790714383 JHXJOWKINNNVJQ-SJORKVTESA-N 431.562 1.892 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccc(F)cc3)c2=O)c1 794593883 ZZHCWYQLTLOIBH-INIZCTEOSA-N 437.496 1.875 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812199123 OIWVUUSTGQKGLF-SFHVURJKSA-N 447.517 1.907 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C 916799086 YDUPSEFWQPVKRU-UHFFFAOYSA-N 427.442 1.466 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(c2)C(=O)NCCO3)c1 1125488689 AGAKLBCEMAELRY-UHFFFAOYSA-N 433.464 1.296 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 1136683943 VIOGKLKTMRLUEP-LBTXWFKZSA-N 443.305 1.775 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 1141775647 SFAITLGYAMHASZ-INIZCTEOSA-N 438.571 1.418 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CS1(=O)=O 1165525670 CVNJHDCCLFZWMR-YOEHRIQHSA-N 439.559 1.041 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)ccc1Br 1197309070 DNZBEFPCEWCVIN-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)CC1 1211638428 COIBLVZDRNLIRE-UHFFFAOYSA-N 433.299 1.747 30 10 IDEE C=CCC1(NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CCOCC1 1216559472 QOFBCSVWDVUQRY-UHFFFAOYSA-N 429.477 1.814 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@@H]1CCCO1 1286282445 MUNNFNKTXOISKE-PXNSSMCTSA-N 436.520 1.964 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](F)COC)c1 1286308677 BZUDESGOHPMCLV-DOTOQJQBSA-N 428.468 1.270 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCOC[C@@H]1C 1286358157 BUOOZMSCTSUQFQ-INIZCTEOSA-N 430.940 1.652 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CCOCC1 1286379866 CWSLYBGJAIBMIK-VXKWHMMOSA-N 439.560 1.952 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCCOC 1286515195 UTMDVGVWRDITPB-JOCHJYFZSA-N 426.521 1.877 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286789035 NMVZVRGBYXVLPA-JOCHJYFZSA-N 426.521 1.340 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnnn2C)C1 1286803467 ICQOVJBAOJROEC-CQSZACIVSA-N 433.314 1.994 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1 1286856829 KUHSMZMAWXREBD-APWZRJJASA-N 439.476 1.841 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1286906095 DKCICBHQLJGPSR-RBUKOAKNSA-N 435.532 1.836 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1287136588 ASXPDIJNNSWHNS-UHFFFAOYSA-N 444.561 1.602 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCC(C)(C)O 1291195738 XEBKMPYTHQPLHW-NVXWUHKLSA-N 426.525 1.667 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(F)cn1 1298741766 AFXATMXDMAPMCU-UHFFFAOYSA-N 429.481 1.385 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1300338765 GIPOZJQYGDRATM-INIZCTEOSA-N 449.556 1.553 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn2ccccc12)[C@@H]1CCS(=O)(=O)C1 1300495437 HPOHRKQHVLCRIR-GOSISDBHSA-N 426.546 1.799 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300495643 IZGWLBHKFAQXMI-MOPGFXCFSA-N 435.594 1.285 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300504462 NQJLGIDVJBQZRO-ROUUACIJSA-N 432.546 1.909 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CC 1300511760 BYIOMKIMUSOFAE-OAQYLSRUSA-N 428.562 1.780 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1300756936 WSWJCDGISGOXEP-CQSZACIVSA-N 437.529 1.627 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1300806440 VLKSSCYCOHIUSX-CRAIPNDOSA-N 440.591 1.140 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C)C1CC1 1301316437 KRERQAYLMDISEG-UHFFFAOYSA-N 442.549 1.527 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301496769 GQHBEKHSGSYZTQ-INIZCTEOSA-N 438.561 1.982 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCCC)CC1 1301508156 FJVBXZPDMUNJDD-UHFFFAOYSA-N 430.578 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCCC2)C1 1301566937 CNXDTLHPKXOLAG-UHFFFAOYSA-N 437.566 1.264 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1301585611 DEMIWYHUCLYIGX-UHFFFAOYSA-N 437.610 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](COC(C)C)C1 1301589110 NOOPGHOTDLSVSW-ROUUACIJSA-N 442.582 1.751 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1303371876 BTWJGPRAQSYWLO-UHFFFAOYSA-N 427.509 1.670 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncccc2N(C)C)CCOC1 1303504152 FXBQVPRANKHVNI-HTAPYJJXSA-N 441.536 1.557 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1304148474 KLNJHVYCBJXLKS-GJZGRUSLSA-N 435.525 1.430 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1315163901 CCCVMIOVMOCHCG-IIBYNOLFSA-N 445.545 1.779 30 10 IDEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1315673848 DSLJOQGWASWJLA-MRXNPFEDSA-N 447.499 1.848 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1316039102 JGTCGOBSRVKDHW-QGZVFWFLSA-N 437.548 1.642 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1316240829 VYRCJHZGKISPGT-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316345813 VRDOLCOKKGNTNU-GOSISDBHSA-N 443.577 1.732 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)NC(=O)NC1=O 1321255687 INTMRLFSTMJRFD-JOCHJYFZSA-N 432.484 1.903 30 10 IDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)ncc1C#N 1354830858 GFBNSBXTXJHUFO-UHFFFAOYSA-N 429.458 1.625 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCS(=O)(=O)C1 1358941152 ZRPAPHFUDYTIKA-LBPRGKRZSA-N 426.340 1.930 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359037841 ZEQCJNIECGYBOT-SFHVURJKSA-N 433.603 1.653 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359187473 OFQSPLLWUYCCPI-MRXNPFEDSA-N 440.552 1.957 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359227261 XSJQLWFXJWIFFY-IBGZPJMESA-N 440.548 1.800 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1359240144 GXVVYCLBNFCOFL-MRXNPFEDSA-N 427.571 1.440 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1)C1CC1 1359251451 LNYFJTYXTAMYKB-MRXNPFEDSA-N 435.594 1.984 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(=O)NC)CC1 1359296447 JQXHVLLGIZOMHY-UHFFFAOYSA-N 426.521 1.608 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359298361 XDOIXXZJSWLUOU-HSZRJFAPSA-N 448.531 1.395 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1359331402 XNFDTXWPDIQUCL-GOSISDBHSA-N 434.566 1.532 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1437438377 CBIRWUMHTSBNJY-UHFFFAOYSA-N 425.503 1.671 30 10 IDEE COc1nc(N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)ncc1Br 1459603536 DEEACLRWFSHBNI-AWEZNQCLSA-N 440.342 1.441 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 1466978947 NDGOPXJWUXNWLC-OAQYLSRUSA-N 426.498 1.491 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1468894697 QZUGLGQLYCRARR-UHFFFAOYSA-N 429.340 1.250 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 1470426693 RIUCFCWHOITLNG-NRFANRHFSA-N 447.605 1.084 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1471535100 CDWASGLZFZHPMB-MRXNPFEDSA-N 425.551 1.078 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1476224927 WHTRBCDMHHWPRV-UHFFFAOYSA-N 426.448 1.734 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1505323640 HYVIYLXOYZQJGN-QGZVFWFLSA-N 444.467 1.007 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507632403 KSNPAYOEOCQHEB-SJORKVTESA-N 433.578 1.682 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1507660464 UTSOQFKXHSLXBS-AZUAARDMSA-N 448.637 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)nc1 1507673523 VGCCNGJUKYJADY-UHFFFAOYSA-N 442.527 1.801 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1507986435 AKLRCZCPZLULLD-GASCZTMLSA-N 444.540 1.882 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1508079095 NUYIFRIYULYSME-UHFFFAOYSA-N 448.531 1.681 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1508152981 VQNYFNKLZVYBLA-INIZCTEOSA-N 442.655 1.872 30 10 IDEE C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1510074757 ANKIZHLIPPRSMF-INIZCTEOSA-N 443.577 1.730 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CCOC 1514377759 BLKABTQINIGDIG-APWZRJJASA-N 441.536 1.679 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1515282705 BOHARXMDKITGMY-LJQANCHMSA-N 435.532 1.886 30 10 IDEE CSCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1520394354 BPBDSNUBXKWKPJ-GDBMZVCRSA-N 441.627 1.208 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1539132085 CZBYMYZMVHQFMJ-MRXNPFEDSA-N 426.525 1.389 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1539232050 YWLQKPZCZBHEHE-HAGHYFMRSA-N 448.589 1.985 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2F)CC1 1539476913 HNAYYNYCZWLELH-GOSISDBHSA-N 442.470 1.522 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCC[C@H](C)C2)CC1 1539481219 IRZFFONDXBTCHM-FPOVZHCZSA-N 442.608 1.870 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COCCOC)C1 1539612990 SCDCFSRLGSHJRA-AABGKKOBSA-N 447.580 1.985 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(=O)N(CC)CC)CC1 1539828841 PTVDANLLKWEWLE-MRXNPFEDSA-N 426.587 1.693 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1540056474 IMYGJQOLBUEADY-UHFFFAOYSA-N 427.490 1.547 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(O)c2)CC1 1540873463 YNERQQRWDJOAHH-UHFFFAOYSA-N 433.516 1.598 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540876066 GPPKGRFVUJPBGQ-HSZRJFAPSA-N 446.596 1.686 30 10 IDEE CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1546680369 HOVFFTGWECPWED-CZIZESTLSA-N 441.536 1.667 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1548281165 UHCRTJUAEPJODR-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE CS(=O)(=O)C[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556808191 BNZVGHHBXHSIJA-RDJZCZTQSA-N 432.502 1.046 30 10 IDEE C=CCCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1558380323 BPVUYUMKHRWBIQ-INIZCTEOSA-N 440.518 1.344 30 10 IDEE CN1C(=O)C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1c1ccc(Cl)c(F)c1 1558806118 FCOQCJULUFWHQF-CXAGYDPISA-N 445.838 1.216 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](Oc3ccnc(C(=O)NC)c3)C2)c1 1559958558 YZBOZVFXPGNGIW-LJQANCHMSA-N 435.484 1.614 30 10 IDEE C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C(=O)Cc1cccc(Cl)c1 1566125668 AXFBQJHZCCTKDG-AWEZNQCLSA-N 443.891 1.166 30 10 IDEE C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1587793243 KIABYYDELASYFO-WMZHIEFXSA-N 445.564 1.561 30 10 IDEE C=C[C@H](O)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 1588119578 YYXYEGWFYBRHOI-HOXUKUGESA-N 428.413 1.996 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1588262524 GIOPQTSAPIYNHW-UHFFFAOYSA-N 431.500 1.744 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccnc1-n1cccn1 1588659133 DLRNUBFGIFHEFO-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCn2ccnc21 1588695152 DZZLLBCKPJPGDX-FHWLQOOXSA-N 428.537 1.862 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1589047902 NDRUZARWLCVACL-UHFFFAOYSA-N 430.582 1.675 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1618703315 OPWUNMUICCJKJJ-IRXDYDNUSA-N 443.566 1.061 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCOC(F)F)CC2)c1 1620351527 COROWRZGMILGGH-OAHLLOKOSA-N 446.462 1.452 30 10 IDEE C[C@H](NC(=O)[C@H](C)N1CCO[C@H](c2ccc(C#N)cc2)C1)c1ccc(S(N)(=O)=O)cc1 1620623976 LMXWPNKIVSEGON-QYWGDWMGSA-N 442.541 1.845 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1624614090 ZJXVGTXNDXGNLT-YFHOEESVSA-N 446.500 1.886 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1626694751 HPACCCRWECCISE-OTWHNJEPSA-N 442.516 1.705 30 10 IDEE C=CCC[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1627751981 KKXXPSWBURLLDF-CVEARBPZSA-N 425.526 1.764 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nc3ccc(Br)cn3c2F)CC1 1628146167 CFZGLFIHQFQVRR-UHFFFAOYSA-N 436.285 1.133 30 10 IDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1632070218 WWWGFLRPAYCYCY-YOEHRIQHSA-N 437.518 1.232 30 10 IDEE CN(Cc1nnc2n1CCN(C)C2=O)C(=O)COc1cccc(Br)c1C#N 1634689711 HGTKJSPMRFHMJQ-UHFFFAOYSA-N 433.266 1.035 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1637388986 AFBAPMUOGHRKGU-HZMVEIRTSA-N 436.509 1.249 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nc(C(C)C)n[nH]3)CC2)c1 1644276744 IQGLRUPSBVJTSO-UHFFFAOYSA-N 429.546 1.935 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2CC)CC1 1644282236 YXTKOEVNNIGAGN-UHFFFAOYSA-N 435.937 1.314 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H](C)COC 1647736724 HVQDXZJJUNMNRW-QGZVFWFLSA-N 437.562 1.245 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1654037138 WRUAGZJYXSGNCG-LSDHHAIUSA-N 435.491 1.724 30 10 IDEE CC(C)CNC1(CO)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1654478693 FNYSNEZBXWIVEE-IBGZPJMESA-N 433.622 1.529 30 10 IDEE C[C@@H](NC(=O)CNC(=O)CN1CCN(c2ccc(F)cc2C#N)CC1)c1ccc(F)cc1 1655357571 HIFDROMFQHBTJW-MRXNPFEDSA-N 441.482 1.952 30 10 IDEE Cn1nccc1C1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1655488940 UFKRCWDRSRSOKY-FQEVSTJZSA-N 440.523 1.252 30 10 IDEE C=CCOc1c(Cl)cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC 1656467141 VDEZHJBKKLSNRT-SJORKVTESA-N 430.954 1.501 30 10 IDEE COCn1nccc1S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1664303147 GMDRBVAHEBYFJB-UHFFFAOYSA-N 427.490 1.260 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 1668777240 ZHHYRJCOULWDTQ-LJQANCHMSA-N 433.578 1.232 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)C1 1686054878 DJFFVBKOSKDJSR-XDNAFOTISA-N 442.520 1.305 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCN(C(C)C)CC1 1689840076 RXJWYROPRSINTM-SFHVURJKSA-N 449.563 1.614 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1689852470 FRJTVZYBNKQTMP-LPHOPBHVSA-N 449.552 1.841 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1689873512 LVTJRTREGSXCDE-UHFFFAOYSA-N 438.598 1.470 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689982661 RQCJVFPWXSIRDM-PGRDOPGGSA-N 446.573 1.987 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCS(=O)(=O)C1 1690040803 PEFLSMKOUOMFMI-QGZVFWFLSA-N 440.525 1.962 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cccc(OC)c2)CC1 1690120564 YZXVZAQYKVSISY-UHFFFAOYSA-N 433.516 1.467 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690288147 KDFYLWCNJMBHMU-IRXDYDNUSA-N 439.582 1.319 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1690669663 LSQCTTJPVCNQJP-OALUTQOASA-N 437.548 1.637 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690673264 SBFRNIVXMRFYSQ-UHFFFAOYSA-N 425.537 1.307 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1690684959 SHDXOCBCTFQPRT-OTWHNJEPSA-N 434.585 1.697 30 10 IDEE CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1690800844 GVYNOPDRSAHRNJ-GHTZIAJQSA-N 448.593 1.569 30 10 IDEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1692670314 LLZKOPJNVBOMAB-HXUWFJFHSA-N 437.548 1.642 30 10 IDEE CCCCNC(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1695259608 ZQHBGTGYPNXTHF-ZZEZOPTASA-N 429.525 1.246 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705499990 CYDCWJNEUMLHOL-QUCCMNQESA-N 440.596 1.540 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccn(C)n1 1705500652 RHGBZONPIVBOOG-FQEVSTJZSA-N 432.576 1.883 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705531420 JIRKIHSYWYCPEP-MRXNPFEDSA-N 443.577 1.614 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1705628778 OUSAXGWWXKXWGJ-UHFFFAOYSA-N 443.639 1.331 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1705693180 CMYSPFRAMDEVKP-IEBWSBKVSA-N 442.568 1.458 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N 1705895205 XOKYLURYRUPSJP-AWEZNQCLSA-N 429.912 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](C)[C@@H]1C 1705898468 MOCQPLBNAHGAME-LSDHHAIUSA-N 439.549 1.553 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCSC2)C1 1705928449 FFOSKAXJKIMUFG-QRWLVFNGSA-N 449.602 1.919 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCN2CCCO)CCO1 1712884131 HEHJBPIPIJOAJY-IRXDYDNUSA-N 446.502 1.723 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722363766 BUSKNIIXGYNFHS-QGZVFWFLSA-N 434.537 1.796 30 10 IDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1722363912 COVLARFJDIRJDZ-KRWDZBQOSA-N 449.964 1.285 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722384191 URDRMYKWSKPFIC-IAGOWNOFSA-N 425.455 1.508 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1722405506 MCISLMDCXFPJKC-HSZRJFAPSA-N 440.548 1.670 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCCNS(C)(=O)=O 1722419969 FBLJIIYAEZKEBA-SFHVURJKSA-N 449.552 1.890 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N1CCOCC1 1722423652 LGGIGADHQKIPQY-KRWDZBQOSA-N 427.505 1.481 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CCC=CO2)n1 1722428917 CVDVDRGAWIQVRZ-AZUAARDMSA-N 426.521 1.957 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCCCS(C)(=O)=O)CC1 1722439337 YHERFWNHKVEBNX-UHFFFAOYSA-N 430.578 1.234 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC[C@@H]2C)CC1 1722448704 XQXMAAJOYWKQBV-DFQSSKMNSA-N 429.565 1.811 30 10 IDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(N)=O)C1 1722484540 IBJFQLYXBXALFL-CYBMUJFWSA-N 434.294 1.937 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722507637 YVALGXADJAHOGZ-HBFSDRIKSA-N 448.593 1.744 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCS(C)(=O)=O 1722519512 JUOVUXLVQFJLGV-UHFFFAOYSA-N 426.564 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C)C1 1722727235 GZUKWLQHWWLZBC-QAPCUYQASA-N 434.518 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1722731700 PSUWQCFRDOAROL-UHFFFAOYSA-N 435.506 1.886 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C 1723819887 SKBSVLGNKPZIKB-IIBYNOLFSA-N 428.562 1.782 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1723936865 MEQWNVVHHDCQOB-KUHUBIRLSA-N 434.522 1.408 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1728756592 PWBAODZDMSOMLF-APOCOGJHSA-N 430.509 1.445 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 1728937176 AWSTXDVCUFMKEG-OYMFQORVSA-N 438.532 1.839 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740578019 WYONMKPDFFGCAT-QGZVFWFLSA-N 444.561 1.414 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCC[C@@H]1NC(=O)NC1=O 1740603093 GIJUEAWDASEOJP-JTQLQIEISA-N 437.323 1.827 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1740618411 HBAYJBOXNGPMRR-QGZVFWFLSA-N 430.530 1.999 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740619991 BIFPZDLGOCKLCE-ROUUACIJSA-N 442.541 1.926 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1740672235 ZMMFSKOTCXWYKG-VQIMIIECSA-N 445.545 1.247 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(C(N)=O)CCOCC1 1740680527 FOISMHCIKHLOHE-UHFFFAOYSA-N 427.505 1.322 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740857460 NLIKISYQRAHQGD-ICSRJNTNSA-N 445.612 1.761 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)COC(=O)N2 1740956238 ITYJBJPXGBGJOZ-UHFFFAOYSA-N 431.884 1.375 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1741171999 ZTMQUEGUWPBZIX-UXHICEINSA-N 429.613 1.989 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1743349155 DHWCICDIBGIVKP-QUCCMNQESA-N 440.548 1.801 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1747421103 UHIWTJADPACEPD-HXUWFJFHSA-N 428.518 1.110 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748810120 ZIOQBBIRIGZKMZ-AWEZNQCLSA-N 446.558 1.935 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748811798 LOUGQRFJCDQOMN-GOSISDBHSA-N 441.561 1.506 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748815271 OBTNXTSDWZZFNE-AABGKKOBSA-N 449.621 1.878 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1748816909 AWFLPJNXCOLZEU-OAHLLOKOSA-N 439.488 1.554 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1748990478 XOWDJSJXSASNQW-FQEVSTJZSA-N 443.573 1.130 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749045101 ZZAQJDPKUGDFIG-UHFFFAOYSA-N 446.621 1.850 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1(C)C 1749220766 FRFQPHQSUQIGGK-GCJKJVERSA-N 427.505 1.741 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749409271 SXFQXEBVKOGEGN-UHFFFAOYSA-N 438.598 1.731 30 10 IDEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749413457 VTBOTFZGGIOYEU-QGZVFWFLSA-N 446.939 1.779 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749634858 LMKZVTVKVNBLNT-INIZCTEOSA-N 429.550 1.468 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1752387233 DAZGKJRFWPRJFP-INIZCTEOSA-N 440.504 1.236 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)cc(OC)c2)CC1 1760254083 NHCAZLOMYFKXEZ-QGZVFWFLSA-N 446.577 1.009 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(Cl)nc2)CC1 1760269626 NFCIOFVSDOVQLV-QGZVFWFLSA-N 428.924 1.845 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760273738 ARECJDCMZQZACD-MJBXVCDLSA-N 435.566 1.982 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760333297 CSNOZGPJEFDNIH-CVYDXHPNSA-N 437.566 1.224 30 10 IDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1760352638 UMEBKQWOVMLEOE-MRXNPFEDSA-N 446.939 1.766 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1)C1CC1 1760471087 MBQOBJVBLGWRCX-HNNXBMFYSA-N 429.550 1.934 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763805701 FMQFUBPAUOOBDG-WYOLXIKVSA-N 444.536 1.702 30 10 IDEE CCOCCN1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1CC 1768172491 PYOPOGPAJXJMJS-FTHOYRMOSA-N 431.541 1.050 30 10 IDEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1768481082 BESLXDDKAZEUMD-OALUTQOASA-N 429.569 1.640 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCO[C@H](C)C1 1770045017 WFYKTZUVJLTXKG-FTEYMNFISA-N 432.569 1.994 30 10 IDEE C=CCOC(=O)[C@@H](NC(=O)CN1CCOC1=O)c1ccccc1I 1850892966 DGRFBKBOCIRANG-AWEZNQCLSA-N 444.225 1.630 30 10 IDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)OCCN2CCOCC2)cc1 1851369005 WIELTKHPHNMOJC-OAQYLSRUSA-N 443.525 1.323 30 10 IDEE CC(C)(C)[C@@H](C(=O)Nc1ncc(C#N)cc1Br)N1CCS(=O)(=O)CC1 1851710055 VOIONLBAJHSDJX-CYBMUJFWSA-N 429.340 1.799 30 10 IDEE N#CC1(CNC(=O)CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCOCC1 1853042839 WKLLZUMWNSHNCZ-UHFFFAOYSA-N 434.537 1.644 30 10 IDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853952391 BEANXYCGOMJLCW-CQSZACIVSA-N 431.445 1.524 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2=O)cc1 1854021079 YBCRJRCUHFANNM-UHFFFAOYSA-N 433.436 1.829 30 10 IDEE COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@@H]1C 1855937910 NKPQZKONAQYMNX-ZDUSSCGKSA-N 431.445 1.768 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)CCC)c3ccccc32)CC1=O 1857140960 BLPWPDMEKCQJBS-CVEARBPZSA-N 433.530 1.777 30 10 IDEE N#CCCN(CC(=O)O)C(=O)c1c[nH]c2ccc(I)cc2c1=O 1866370814 BROORMCZLAAVON-UHFFFAOYSA-N 425.182 1.573 30 10 IDEE COc1ccc(CNC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)cc1 1870101321 RUFNTFBRKVBMHB-UHFFFAOYSA-N 429.440 1.233 30 10 IDEE C#CCOCCOCC[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882563376 TWXZOQRPELNQQQ-JWRCQZCYSA-N 425.503 1.560 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN3CCOCC3)SCC(=O)N2C(C)C)cc1 1889265541 ZJDPJRVNFCJCGM-FCHUYYIVSA-N 445.585 1.541 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CC#N)Cc1ccccc1)NC(=O)OCc1ccccc1 2241758134 SFYMPSUMYDOTKZ-IBGZPJMESA-N 445.497 1.810 30 10 IDEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248413266 URRUUGAKEDPZLB-SFHVURJKSA-N 442.347 1.128 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602523 UIJODFRYPMYHJN-KGLIPLIRSA-N 434.346 1.942 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255818521 MCHGNHKXMCTMRC-ZDUSSCGKSA-N 439.293 1.135 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844014 PDOBJHHOKJWGOS-ZIAGYGMSSA-N 432.330 1.666 30 10 IDEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256615087 RADYNGILLKUXHS-QGZVFWFLSA-N 434.342 1.830 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267184481 VIXBYDNYZGRCDR-FOLVSLTJSA-N 446.357 1.657 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267496943 GPOLGNSOROVGRS-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE Cc1c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267504196 OWKIXEQETHSVKX-UHFFFAOYSA-N 440.353 1.004 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268668659 HLKRBWGQGISRGS-GDBMZVCRSA-N 447.341 1.937 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1C[C@@H]2COC[C@H](C1)C2=NO 2285899011 CYXCYBKEZRMFHW-YIONKMFJSA-N 435.502 1.237 30 10 IDEE CN(C)c1ccc(/C=C/C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 252610283 HZVQBEMHLWZTOD-MRHCRTALSA-N 438.536 1.722 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 254614969 JYZYYGUCDGBFJQ-DOMZBBRYSA-N 440.499 1.314 30 10 IDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 410390282 QJMSRTVOEZYEAP-ZDUSSCGKSA-N 449.360 1.853 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2Cc3cccc(O)c3C2)CC1 429128337 NCJBTRHLZDYBFC-QGZVFWFLSA-N 426.498 1.447 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCSC)c2=O)cc1C 443549582 LWINBIKTKNUNMM-UHFFFAOYSA-N 445.610 1.926 30 10 IDEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)ccc2O1 443709216 MYVJQWMMESLCTJ-LJQANCHMSA-N 442.497 1.331 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 476759850 WZFLIEACAXGAJO-LHSJRXKWSA-N 447.488 1.959 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@@H]1CCCO1 480941016 XDAVCWWNLSQTPT-AWEZNQCLSA-N 447.582 1.578 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 508948275 CJCDMRMUOOABBA-PKOBYXMFSA-N 426.569 1.953 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)C(C)(C)C1 508955995 LSVNOCIDPARKDQ-UHFFFAOYSA-N 442.545 1.874 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 512417801 GTPWAJBUUGAKPI-ZWKOTPCHSA-N 449.515 1.248 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)n(Cc2ccc(F)cc2)c1C 532978512 RORLUTIARIBUNU-SFHVURJKSA-N 447.536 1.726 30 10 IDEE C=CCNC(=O)CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 538601877 DVOSIJDLCXWVCJ-HNNXBMFYSA-N 425.938 1.817 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 549675398 HURCXGLVEVFHJD-INIZCTEOSA-N 438.598 1.693 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 564552145 NBXGJLJYLMGEIH-UHFFFAOYSA-N 446.454 1.992 30 10 IDEE N#C[C@@H]1CSCCN1C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 577330441 RMKYQRHHTHBKJX-JRINFJIASA-N 433.533 1.933 30 10 IDEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3)c2=O)c1 603495314 CHICPNHIMIYKTP-UHFFFAOYSA-N 444.516 1.639 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCCO1 603797194 ADWZIABKOJKSNE-MRXNPFEDSA-N 431.945 1.770 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 603990170 PHLWHOCQOCMINZ-INIZCTEOSA-N 427.482 1.725 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cn2)CC1 611471144 QMZBKBCBKABRQL-UHFFFAOYSA-N 425.514 1.971 30 10 IDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669813049 LXOVQYKOUMPECW-WSTZPKSXSA-N 434.585 1.567 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(C(=O)OC)c3)cc2C1=O 746467642 LGJHZYPWDNFCLI-UHFFFAOYSA-N 428.422 1.374 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br 747265798 FMLWQVOUOBHTPL-GFCCVEGCSA-N 430.324 1.827 30 10 IDEE N#Cc1ccc(CNC(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 750420986 GZKYPUZYNVJDIP-UHFFFAOYSA-N 441.245 1.770 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@@H]1CCCO1 761836216 OXMPFNGTLOANNK-AWEZNQCLSA-N 444.582 1.452 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(Oc4ccnc(C(N)=O)c4)CC3)cc2C1=O 772859163 PRPMHJGRXRJDHK-UHFFFAOYSA-N 434.452 1.646 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)c3cccc(F)c3F)C2=O)cc1 774998782 MJRAHGQUHBTLSG-CQSZACIVSA-N 448.407 1.547 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2ccn(C)n2)cn1 783007474 UYZBWHVYSYKGHH-CYBMUJFWSA-N 443.455 1.837 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 784124892 FDYREDJSDLFBLM-LJQANCHMSA-N 430.574 1.953 30 10 IDEE CCn1c(=C(C#N)C(=O)c2ccc(Br)cc2)sc(=Cc2cnn(C)c2)c1=O 788524078 UMJIXLMTPHKILW-UHFFFAOYSA-N 443.326 1.812 30 10 IDEE COc1ccc(-c2nnc(S)n2CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 789889759 CPMOTLLSCSNZOI-UHFFFAOYSA-N 435.513 1.858 30 10 IDEE C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 790708681 JZPRZRWIMZUUBF-MSOLQXFVSA-N 443.573 1.587 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)CCN1C1CC1 792988283 USHQWKDSVAYRSS-CQSZACIVSA-N 449.483 1.528 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 798107952 SONPHGYUHQDQGM-YPMHNXCESA-N 438.330 1.192 30 10 IDEE C[C@@H](C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)n1cnc(C#N)n1 798433076 VRQWWUFTNHUIAO-AWEZNQCLSA-N 426.481 1.802 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)cc2F)C[C@@H](C)O1 798740292 PQHHJOWXXWHYMG-QLFBSQMISA-N 444.467 1.323 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)n1 801075179 PYBCOEXQIMYFNA-IBGZPJMESA-N 439.516 1.354 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H]2CSC2(C)C)C1=O 802719776 AAUMYUJWGKEYKN-IQBMLBPBSA-N 449.646 1.886 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1=O 805088514 VZTLGISKGONXJG-LLVKDONJSA-N 426.438 1.388 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1C#N 813703177 VHOUZOPEMDDUBH-NRFANRHFSA-N 439.497 1.965 30 10 IDEE CC(C)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916714901 LGNIGPIKOYWGQZ-PYCFMQQDSA-N 435.550 1.832 30 10 IDEE COC1(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CS(=O)(=O)C1 1125176204 RCETYZBUKWRICV-CAPFRKAQSA-N 443.547 1.032 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)COc2ccc(C#N)c(Br)c2)C1=O 1126808766 JGJUPAVNOBLYGU-KPZWWZAWSA-N 435.278 1.536 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1133157317 JKLOHXMIYLLXGF-LJQANCHMSA-N 438.546 1.654 30 10 IDEE CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2cc(Br)ccc21 1135010333 ZBQIKSVLVXNETJ-UHFFFAOYSA-N 449.330 1.971 30 10 IDEE C#CCN(CC(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1136719614 JXEXFGAPLLJWCO-UHFFFAOYSA-N 438.569 1.868 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N(CCC#N)CCOC 1194802260 LWLOMPVSBPXDGP-UHFFFAOYSA-N 428.555 1.428 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C1CCOCC1 1213181431 HWPLTXMHBYIECC-HNNXBMFYSA-N 430.320 1.871 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1213831872 MPKNUJZFQPVQNK-UHFFFAOYSA-N 425.576 1.189 30 10 IDEE C#CCN(C(=O)NCCc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 1233636257 OQAAUNYLGRPRCA-OAHLLOKOSA-N 446.310 1.666 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1nccnc1C 1286362904 KOUCVYIEUULYJU-UHFFFAOYSA-N 438.561 1.957 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1286432053 WIJWAGFKTYVWSB-QGZVFWFLSA-N 449.577 1.558 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286461752 WSAXKTUYJDTKBJ-RTBURBONSA-N 432.569 1.099 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCC(=O)N(C)C)CC1 1286474109 AQMVXTUOFUERQE-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)N[C@@H](C)CC)CC1 1286481626 HTBRWSYHBWCTJO-IBGZPJMESA-N 448.575 1.577 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCS(C)(=O)=O)CC1 1286485383 JUBXPUFGOHJAHZ-QZTJIDSGSA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(C)(C)COC)CC1 1286490840 UGRNVRZANPVWSK-SFHVURJKSA-N 444.580 1.648 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OCC)CC1 1286646744 VSPJGMJPYXZAFM-INIZCTEOSA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286712611 DVWMWYQBUCWVRL-GOSISDBHSA-N 439.520 1.329 30 10 IDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1286760382 LARWUJMCJSOSSV-INIZCTEOSA-N 442.486 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286818192 DGQJKTXZYFSMBH-OXJNMPFZSA-N 435.550 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1286819157 BUCTVKDUWMKVLP-UHFFFAOYSA-N 446.533 1.991 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1286822790 HOCAYNSOKFBRBO-LJQANCHMSA-N 445.545 1.865 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)CC1 1297520516 YUXFHZTZHIXAGK-HXUWFJFHSA-N 444.532 1.155 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1300422302 JZNOUKHSTRQWBO-UHFFFAOYSA-N 427.505 1.574 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300493051 QGEYQUDOCAQQIL-ZDUSSCGKSA-N 428.440 1.704 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300564942 JFYBTTSTAGKUCC-UHFFFAOYSA-N 444.495 1.573 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCCO[C@H](C)C2)CC1 1300730938 HJJBMHRZRQSGEQ-LJQANCHMSA-N 446.596 1.281 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1300898509 YHBQNHULKUXVCR-GBPOLFSSSA-N 447.580 1.874 30 10 IDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@@H]2C1 1301241844 XOGLZVDZJISPLL-IBGZPJMESA-N 428.493 1.967 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)CNC(=O)C2 1301484473 HGFAJBNKONWZHL-UHFFFAOYSA-N 439.476 1.262 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1301501395 WBGMXUGXJTZMIJ-DLBZAZTESA-N 427.505 1.751 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2ccccn2)nnc1N1CCC(CC#N)CC1 1302469313 OHKGPPFNTGOZMN-UHFFFAOYSA-N 432.550 1.455 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1302685523 HJOSXDGSXKYLMX-KRWDZBQOSA-N 443.577 1.820 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)C1 1309386118 CBJADDHTNYTTFN-HOCLYGCPSA-N 443.547 1.269 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)CC1 1310618915 OHAHTDZXEVVICC-UHFFFAOYSA-N 442.545 1.442 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1314892621 IUHABGVGVHAXKP-SFHVURJKSA-N 449.533 1.015 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CCC2(F)CCC2)C1 1316356017 ZSJYOTMXIFJNRE-MRXNPFEDSA-N 440.545 1.633 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)cc1 1322097690 CXYPEYNSORCDNH-FQEVSTJZSA-N 447.539 1.858 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@H]1C 1358889344 ALOSAXAALZFJBV-RBUKOAKNSA-N 438.580 1.631 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1358949732 LHSSDKKUQRMKJO-PSCUFVCCSA-N 449.552 1.586 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358995936 LUDOHENKJULWDT-LJQANCHMSA-N 426.546 1.008 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359054756 GJHVFYMFPIXUNJ-UHFFFAOYSA-N 425.497 1.357 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCCO3)CC1 1359159440 WHPWKMCEAMZDFP-OAHLLOKOSA-N 433.534 1.864 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)cc1F 1359292697 WAUFTGOPTXJWPF-GFCCVEGCSA-N 442.492 1.105 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359301906 PAGNLNQRNBBDAB-MBSDFSHPSA-N 425.533 1.864 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359305040 RDHUDYCTVNUKJN-KRWDZBQOSA-N 440.504 1.363 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359332425 XDQCAPCDMDEHLA-ZACQAIPSSA-N 428.555 1.013 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCn2ccnc21 1360671985 KFEOWPXVPAVDTI-GDBMZVCRSA-N 432.554 1.402 30 10 IDEE COC(=O)CC1(NC(=O)Cc2ccc(Br)cc2C#N)CCS(=O)(=O)CC1 1435934490 OGODAVBFQCTISV-UHFFFAOYSA-N 443.319 1.490 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](CC#N)C(F)(F)F 1439451526 CEPPMNPNDBIRSI-MRXNPFEDSA-N 448.467 1.596 30 10 IDEE Cn1cc(I)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 1456278063 VKJVGFSAYTZJKI-CQSZACIVSA-N 435.269 1.875 30 10 IDEE CC(C)(C)N1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 1469407242 ZBCJFOFELYGXTR-MRXNPFEDSA-N 434.562 1.801 30 10 IDEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1470031959 BUAZKKTTYGABBJ-DNVCBOLYSA-N 437.422 1.512 30 10 IDEE Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1472192050 KZBXUHWWUXIJNX-CNNODRBYSA-N 446.573 1.606 30 10 IDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)c1cccc(C#CCO)c1 1472359893 BATOKNJQYUOBMS-UHFFFAOYSA-N 439.516 1.948 30 10 IDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1494589683 GSPBBTGBGKVUDS-KRWDZBQOSA-N 440.504 1.203 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1494658818 FZBZSTGCUSYYMW-HXOBKFHXSA-N 439.564 2.000 30 10 IDEE CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499065924 ZJOZEVJWAJFKSX-MJWGMMHASA-N 443.552 1.498 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)C2)cn1 1503655221 VMLXIODQFYGFTB-SFHVURJKSA-N 439.545 1.979 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1505129162 AZWZJJBBUYAJFH-IBGZPJMESA-N 428.562 1.926 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccn2)nnc1N1CCC(F)(F)C1 1505354828 QQXOLGDWGMFFOG-ZCXUNETKSA-N 429.431 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1507514377 CSNLLEPDOKCHES-LSDHHAIUSA-N 432.550 1.096 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccnc1N1CCOCC1 1507711591 DLWXKOXIJLBCTL-UHFFFAOYSA-N 447.543 1.630 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 1507756830 NAWPYEWPSQGHJE-UHFFFAOYSA-N 428.562 1.993 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNc1ccccn1 1507764362 LPVOKNSCLUPHEY-OXQOHEQNSA-N 431.566 1.778 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1507838832 JHFTYKHROOUOEJ-NRFANRHFSA-N 447.561 1.643 30 10 IDEE C=C(C)COCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507847627 BCBSRNQDONPVAI-JOCHJYFZSA-N 435.569 1.970 30 10 IDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1507851115 FSWSSGGAODKZRR-GOSISDBHSA-N 444.561 1.355 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507934706 GFZBQWAMAVYNIN-WMZOPIPTSA-N 429.569 1.375 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](NC(C)=O)C1 1508079540 YICRLALKASDZCP-SFHVURJKSA-N 433.516 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1508143686 MUIWLQNHHFHXDB-SFHVURJKSA-N 447.561 1.481 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1508423378 GRKRFFOEMTVSOG-HUUCEWRRSA-N 428.534 1.489 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC(=O)N3)CC2)c1C#N 1511664015 UQWFJZSWEBXDGH-MRXNPFEDSA-N 439.568 1.386 30 10 IDEE C=CC[C@]1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1519798640 FWLOYQCWUIYTEC-VFCRVFHLSA-N 425.526 1.905 30 10 IDEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1520560945 XJOZQSHDUPEAKP-CRAIPNDOSA-N 442.611 1.494 30 10 IDEE CC1(C)[C@@H](O)[C@H]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@H]21 1531838828 WFIGOTSBVPANQC-ZCNNSNEGSA-N 431.558 1.967 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccccc1S(=O)(=O)C(F)F 1533848702 GCSISYSFVLJIQZ-CYBMUJFWSA-N 435.456 1.624 30 10 IDEE C[C@@H](Sc1ncccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)N1CCCC1 1537006215 SCSZVMFXDPEGKP-QEEYODRMSA-N 448.570 1.195 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539226016 SGLIXTQAZIXHQU-UYAOXDASSA-N 449.621 1.358 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1539343607 NMTKHRNILKKMSR-QGZVFWFLSA-N 441.561 1.641 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@]2(C)CN(C)C2=O)n1 1539423689 CKRJRGFXKKOGPA-XMMPIXPASA-N 447.543 1.906 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1539516955 GLUKBPQVEVGXSY-SFHVURJKSA-N 445.614 1.873 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cc[nH]n1 1539534010 JZWPCNRYEBZEEI-OAQYLSRUSA-N 433.476 1.071 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 1539807915 MAKIVLDBLWCOOR-APWZRJJASA-N 435.502 1.540 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540036541 OPRPIJWWVOSDON-QZTJIDSGSA-N 446.552 1.879 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1540171100 VNJYSWHNRBBQKT-MRXNPFEDSA-N 444.540 1.942 30 10 IDEE CN1C[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540544019 JYGGNNPIIMHABW-GOSISDBHSA-N 445.495 1.424 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(=O)N(C)C[C@H]1C 1540869870 ZGXYEARVQGMWLQ-OAHLLOKOSA-N 435.488 1.569 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1541088943 QVGCZCDKNAVWRN-LJQANCHMSA-N 444.561 1.746 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541092904 ZHFGDDTXPGBBIF-IBGZPJMESA-N 438.536 1.639 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1541120323 ZXNRNXRHOKQEKQ-IAGOWNOFSA-N 425.541 1.399 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541814032 FVZFKFFOMAAJOE-BVGIJJTOSA-N 429.525 1.237 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1547750095 GOWQNQKWJHPAAO-GOSISDBHSA-N 437.504 1.620 30 10 IDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCNC(C)=O 1548161405 KZKMBKNFLYGRCK-UHFFFAOYSA-N 425.537 1.929 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1552716452 CTYQIYLPSUTDBT-IBGZPJMESA-N 437.548 1.849 30 10 IDEE Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1CCC(C)(C)O)CC2 1554364712 DUPIAXPZEVEDGZ-UHFFFAOYSA-N 449.515 1.546 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(F)c2)CCO1 1555992026 DSWWGLCRZDKVOT-HNNXBMFYSA-N 432.431 1.600 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F 1558214750 BBPYBWXWXJMTOZ-KCPJHIHWSA-N 447.435 1.425 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1)C1CCOCC1 1565105597 JEVSJBWQTZEYRI-OAHLLOKOSA-N 438.326 1.508 30 10 IDEE C#CCN1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1565814635 BRCMHLCWBFTNNS-OAQYLSRUSA-N 431.558 1.600 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1585535199 VKFSMCVDZBPZEC-OAHLLOKOSA-N 449.309 1.641 30 10 IDEE CN(C)CC#CCNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1587078697 GBABOVOSDHFUBB-GOSISDBHSA-N 441.557 1.404 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588040366 LWYMOUXDBXADCP-FQEVSTJZSA-N 438.557 1.539 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCOCCN(C)C 1588093743 OMEKXAVPSAYENH-UHFFFAOYSA-N 433.354 1.697 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1588238419 UXROMRNJEJSUGW-OAQYLSRUSA-N 430.505 1.021 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)C 1589089033 NAOUQRWNOYMQLQ-UHFFFAOYSA-N 425.562 1.844 30 10 IDEE C=CCSCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1595905144 DUKLFWYYHITBPY-VQIMIIECSA-N 444.623 1.863 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCNC3=O)cc2)cc1 1596419026 CIUNAJOSKSDZQH-UHFFFAOYSA-N 427.486 1.338 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cncc(C#N)c1 1596856088 NTUKGGGYLNCMCW-QGZVFWFLSA-N 434.905 1.456 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(C)(C)O 1608563075 HQBMMYMCQIOTKC-UHFFFAOYSA-N 429.500 1.525 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1610444727 CZANATXPDKVIMA-NHCUHLMSSA-N 446.483 1.670 30 10 IDEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1611131889 UTFSHZIRDQXHQZ-QGZVFWFLSA-N 439.545 1.105 30 10 IDEE Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1612462736 HZVFRXACUHQWKE-IFXJQAMLSA-N 434.570 1.417 30 10 IDEE CCN1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1615864734 DMOHHQDOTGTECG-YGCDDZCOSA-N 427.553 1.993 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1617385827 FGKBUNJADSIDKW-OALUTQOASA-N 444.561 1.761 30 10 IDEE CO[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1618975048 BVAPGITWAOOSIE-AEFFLSMTSA-N 433.534 1.748 30 10 IDEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc2n1CCOC2 1623343661 GFPNFLSYRMDAKY-MDWZMJQESA-N 441.513 1.936 30 10 IDEE N#Cc1cn(CCC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)c(=O)nc1O 1626262990 AEZIKYBHSBLEBN-UHFFFAOYSA-N 443.261 1.475 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1630290925 HNIRVBBHKNKMKM-MOPGFXCFSA-N 434.562 1.041 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1631208673 OGLWAWKRWKHYRI-DJIMGWMZSA-N 446.935 1.954 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@@H]2C1 1637950733 OGYLKJZWJIWDNU-FUHWJXTLSA-N 448.545 1.960 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@H](c3cnn(C)c3)C[C@@H](C(=O)OC(C)(C)C)C2)C1 1638398010 QGNOFIJVEMYFRH-GGPKGHCWSA-N 429.565 1.975 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1sncc1Br 1639103108 QCAGLELUPHGUPS-UHFFFAOYSA-N 429.321 1.651 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O 1640460203 VFYCHGDJLSQYHO-SUMWQHHRSA-N 428.532 1.466 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCC1(C#N)CCOCC1 1640487278 ORZPLIPCPYQDHW-ARFHVFGLSA-N 441.550 1.093 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 1640703739 GSRYHQTVDJMENL-HXUWFJFHSA-N 433.917 1.889 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CN(c2ccncn2)C1 1643071344 DIFZGBYGOOMICR-INIZCTEOSA-N 428.518 1.079 30 10 IDEE COc1c(C)[nH]cc(CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1=O 1648029186 APTOCEGCSXAVCO-UHFFFAOYSA-N 432.502 1.169 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@H]2CCO)n(-c2ccc(F)cc2)c1C 1648386081 YIPWMPGTCUBHSZ-GOSISDBHSA-N 448.520 1.525 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)c1 1648547946 KJHSLUYTHMKFGJ-CQSZACIVSA-N 434.905 1.641 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)cc1 1653667314 HYJSGXPLWUEXNJ-UHFFFAOYSA-N 436.530 1.461 30 10 IDEE N#Cc1c(NC(=O)CCN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)sc2c1CCC2 1655339237 ZVLJBNMXGPMKEV-HNNXBMFYSA-N 436.603 1.632 30 10 IDEE C#CCOc1ccc(CNC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1682742960 TYJIWRNYAAYMAH-UHFFFAOYSA-N 430.530 1.624 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1685037295 ZFGJQGQCNAJSBQ-JOCHJYFZSA-N 444.536 1.811 30 10 IDEE C#CCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1689935580 LJJCNPVABJMLLI-UHFFFAOYSA-N 431.566 1.197 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689983385 APGNGVLPRPSKIJ-INIZCTEOSA-N 449.964 1.925 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1690003794 YHGBFVLYPGONFB-PTUXOGIPSA-N 428.533 1.730 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCNS(C)(=O)=O 1690209196 NQJQOHSCTROTST-HXUWFJFHSA-N 427.534 1.058 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690471104 UMZMFCOLLUWTGP-INIZCTEOSA-N 444.565 1.448 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690484721 BWBVDKBEESMLLJ-BZSNNMDCSA-N 439.582 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCN(C)C(=O)C1 1690730147 YAZPGZFJAWSRCI-UHFFFAOYSA-N 447.561 1.299 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)CN2CCOCC2)CCOC1 1690996278 YVAMBQYSUXLKKY-DXIQSLLYSA-N 434.585 1.883 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1691001888 QTFCJMXZZWRCIH-HOCLYGCPSA-N 440.474 1.928 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)CN2CCOCC2)n1 1693425243 ADCBFMKEDPFPRD-KKSFZXQISA-N 430.532 1.550 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1Cc1ccc(C#N)o1 1694116135 VFMIKGIGXHZDND-OAHLLOKOSA-N 427.509 1.478 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNc1ccccn1 1694355822 XBBMMHRNPVODMN-KRWDZBQOSA-N 426.525 1.822 30 10 IDEE CC/C=C\Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1694992249 COSBWWCJKYFKTN-JXCVUKRWSA-N 441.561 1.740 30 10 IDEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCOC1 1697237668 IEGBZYUADFEIBZ-JOCHJYFZSA-N 440.504 1.236 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccn3)nnc2N(CCC#N)CC2CC2)C1 1698310840 BXKHJNIYSNRZGM-QGZVFWFLSA-N 429.550 1.752 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1705480324 TYJHNCVOSPNXCU-UWJYYQICSA-N 447.561 1.367 30 10 IDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)C1 1705508987 AGRGCRTVHYXNCC-UHFFFAOYSA-N 443.577 1.629 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2nnnn2CC2CC2)CC1 1705647695 IFYLCOBLQGVQGH-UHFFFAOYSA-N 439.568 1.277 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCOCC1 1705896831 ZWQYWVLZUDTDTJ-UHFFFAOYSA-N 447.561 1.514 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705899903 KEYIXXAIGJIHQL-QGZVFWFLSA-N 438.532 1.847 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCCCCC2)C1 1705916090 YSVMHBJFDZDFIX-GOSISDBHSA-N 432.569 1.990 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705945710 PUDKRGALLFJQLV-MRXNPFEDSA-N 429.612 1.911 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705950215 UUUISASXTBGZCE-OWSLCNJRSA-N 435.594 1.884 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1711397001 ADWRXYSDFMLCBV-LJQANCHMSA-N 435.532 1.695 30 10 IDEE CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712821558 FTUICIPDROFMNM-UHFFFAOYSA-N 440.577 1.860 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1722293225 BZVNGDASYLVRGY-MSOLQXFVSA-N 440.614 1.188 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722325752 OEHQWIXOLGTGCV-HNNXBMFYSA-N 432.506 1.737 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1722396614 BAJYHZKSVFJCDV-UHFFFAOYSA-N 429.502 1.046 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1722399666 DWZAYZYJSNJCGO-UGKGYDQZSA-N 429.590 1.453 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CCCO1 1722425462 ZOXYRCFRJAWZCE-NRFANRHFSA-N 446.577 1.893 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@]2(C)CN(C)C2=O)n1 1722429933 VEKGTAPKFBYVLO-HSZRJFAPSA-N 439.564 1.897 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1722440644 CRIKLOMFMFPGLP-UHFFFAOYSA-N 436.560 1.741 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)C(C)C)CC1 1722442655 XSOGPIOMOKAZKK-UHFFFAOYSA-N 440.548 1.393 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1722518299 YXBVGQCOQBYMOU-KRWDZBQOSA-N 441.598 1.973 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722608711 KVFAZAKOSNWWQH-GJYPPUQNSA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCCC2)CC1 1722703016 UTWBUYMZXLURET-UHFFFAOYSA-N 440.596 1.897 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)COCCO2)C1 1722720635 NGZQSONVINUSLM-IIBYNOLFSA-N 447.561 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](COC)C1 1722727528 JDKWSCPAVKNLGX-APWZRJJASA-N 448.545 1.864 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1722865217 FZCNYZPBGMDWRJ-OAHLLOKOSA-N 426.477 1.519 30 10 IDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1723548932 FSKPCQKVZNKNPL-GOSISDBHSA-N 428.562 1.782 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCSCC1 1723784233 DDLAILLUKMOVJL-MRXNPFEDSA-N 443.577 1.478 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1729424096 XJPJFORCGSVFCE-VZCXRCSSSA-N 432.488 1.841 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740531127 FWJPHZMHBWHZBD-HOTGVXAUSA-N 442.486 1.625 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1740538241 KWNHEICQXYJNCP-UZUQRXQVSA-N 441.532 1.827 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740589433 YSKDCWFCBMUUCU-KRWDZBQOSA-N 438.536 1.548 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnnn1C 1740672995 CTOGMYGDZQQJQX-UHFFFAOYSA-N 433.564 1.279 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)N2CCOCC2)CC1 1740699099 UJYMSFYGTVAZAX-UHFFFAOYSA-N 436.604 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)CCC)CC1 1740708490 QYVWSKFZGCBIRY-HSZRJFAPSA-N 441.580 1.657 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740811956 JBWDRSAFHUEPPG-UHFFFAOYSA-N 431.928 1.190 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740961946 NOUGORHOHJANLV-GOSISDBHSA-N 434.500 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1740989338 JTOJIENQQNTQNA-KRWDZBQOSA-N 447.561 1.659 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H]21 1741002687 KMXFZFHYIPBVGJ-XHSDSOJGSA-N 427.596 1.519 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1743361306 AIDTYUZUGMVBJN-PKOBYXMFSA-N 437.548 1.629 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1745711329 AGMXICHXBGUQRE-HLIPFELVSA-N 438.573 1.887 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1748789724 AWTIBLOMKCUNCI-MAUKXSAKSA-N 435.525 1.623 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748823985 GPYBHXIKPJPHCK-NNMXDRDESA-N 444.557 1.664 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1748888119 OBKCHPZKHNQKOY-MRXNPFEDSA-N 428.537 1.995 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1748907194 PRTIPRWRVHQGGG-UHFFFAOYSA-N 434.504 1.760 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)COCCO1 1748920433 MZGWXFBZJNJVCH-HXUWFJFHSA-N 432.550 1.503 30 10 IDEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1749522018 YTOSJXGWKKOUSX-OAQYLSRUSA-N 432.546 1.582 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1749532979 ZGWJJAAQBJWYEB-MRXNPFEDSA-N 443.458 1.675 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1749663542 JGEZCNHFWHKTJS-GOSISDBHSA-N 443.458 1.837 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749689692 JBUMTXAZBAHVOW-GOSISDBHSA-N 442.545 1.915 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760109801 FBCNZYFYQJIIRJ-HNNXBMFYSA-N 425.518 1.492 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 1760176071 YOFZXRXTCKYUDD-ROUUACIJSA-N 443.573 1.785 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1 1760515532 WUOOWNONXHYHQL-QGZVFWFLSA-N 430.484 1.436 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760554985 SSYRZNCZXMSACM-WCVJEAGWSA-N 428.580 1.016 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760685303 SAVDJERODBOMTG-XLIONFOSSA-N 437.548 1.928 30 10 IDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 1763197743 AESXKEBSBOHXGZ-ROUUACIJSA-N 437.548 1.642 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767224410 JXEGVFCYPMBXKC-XZHYIPMRSA-N 444.536 1.704 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1767540350 CQULKRLTBMJBNV-UHFFFAOYSA-N 447.547 1.649 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCO[C@H]1C 1767934514 GNUMAEUJDLHNRE-AOMKIAJQSA-N 444.511 1.692 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CCN1S(C)(=O)=O 1770657607 GLWFYLLRDUPDKL-KRWDZBQOSA-N 446.577 1.840 30 10 IDEE COCC[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1770983662 CDWQNSVJXQHVHC-YWMUFLPLSA-N 429.477 1.307 30 10 IDEE CSCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771467836 JDDSDPQTYIEOHB-WBVHZDCISA-N 438.623 1.500 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772790252 LWBUWEOYSAHOIA-UHFFFAOYSA-N 432.454 1.850 30 10 IDEE O=C(Nc1c(F)c(F)nc(F)c1F)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1851321372 UQVXFDLLIACCEC-LURJTMIESA-N 438.325 1.685 30 10 IDEE C=CCN([C@H]1CCN(C(=O)c2ccc(Br)s2)C1=O)[C@@H]1CCN(C)C1=O 1854282056 ABCPZRTWAUQOAT-NEPJUHHUSA-N 426.336 1.970 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(F)cc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644039 CTUOILUMBWQGSO-ZDUSSCGKSA-N 433.436 1.827 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)c3ccc(N4CCOCC4)cc3)CO2)cc1 1855760409 VVPGVODIVGQTJX-IBGZPJMESA-N 443.481 1.556 30 10 IDEE N#Cc1cccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 1866576863 AHPSRRVNZJTUAW-YLJYHZDGSA-N 441.509 1.755 30 10 IDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1cccc(NC(C)=O)c1 1871260592 PTVDWPDDDDXUEF-UHFFFAOYSA-N 428.489 1.482 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCO)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871566373 SJRBGXHYZWBXBE-UHFFFAOYSA-N 430.509 1.458 30 10 IDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575391 ACZANMAYPOKQGV-UHFFFAOYSA-N 432.872 1.320 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)CC1 1889325393 TYCSIPILNIQMJR-UHFFFAOYSA-N 429.565 1.316 30 10 IDEE CC(C)(C#CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)NC(=O)OC(C)(C)C 1993919527 OEHCGUMPLOHTKY-CABCVRRESA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010545886 AXOFJIZYVGPFLW-WMZHIEFXSA-N 428.533 1.985 30 10 IDEE C=C(CNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2020858127 XBGCMZIHYUEGHC-IBGZPJMESA-N 444.359 1.372 30 10 IDEE C=CCN(CC(=C)Br)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2076834599 KSJBLXMOHBDMGI-ZDUSSCGKSA-N 437.356 1.848 30 10 IDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CC(N)=O)Cc2ccccc2)OC1(C)C 2243417730 WKLFBCPRGFKOMD-UHFFFAOYSA-N 436.364 1.724 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401276 HDUKTHRRMNBMEK-SMDDNHRTSA-N 441.359 1.333 30 10 IDEE Cc1c(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255633249 YDPOIWIKUCBGED-CYBMUJFWSA-N 436.318 1.308 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644390 IUCCFPUFXHOUEV-UKRRQHHQSA-N 432.330 1.809 30 10 IDEE CC(C)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2255694671 RNJMCHPBHZDERJ-ZDUSSCGKSA-N 437.350 1.393 30 10 IDEE Cn1cc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255820736 VCAUMWAARMSXDT-UHFFFAOYSA-N 444.288 1.609 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2255831821 CKPAWIVFFCODME-CABCVRRESA-N 434.346 1.988 30 10 IDEE CN(C)CCCN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255844459 XDOOPUIUTNQFFJ-UHFFFAOYSA-N 427.358 1.708 30 10 IDEE Cn1cc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267185468 VPNUDTHLIWIEOQ-QHCPKHFHSA-N 440.353 1.086 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)n1 2267547060 FUNFLVJXYZAQRX-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)=C[C@H]1O 2268716242 UGIRTLXQAQONMB-JKSUJKDBSA-N 445.325 1.904 30 10 IDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCCO3 13795148 IVYXLWDIYBUUJU-UUPHZHHOSA-N 435.527 1.349 30 10 IDEE O=C(/C(=C(\S)NCCN1CCOCC1)[n+]1cccc(O)c1)c1cccc([N+](=O)[O-])c1 22694339 CZDGZXSVMMMVSE-UHFFFAOYSA-O 431.494 1.449 30 10 IDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(C(N)=O)CC3)C2=O)cc1 96567193 ZNBFNHIQCJJPOV-JOCHJYFZSA-N 428.489 1.132 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)c(C)n1 102742090 DHFNUUOXKPTKMR-HQMFNGAOSA-N 426.473 1.830 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@@H]1CCCO1 461346560 JMDOABQSXTWMPJ-INIZCTEOSA-N 443.500 1.042 30 10 IDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1 466106127 YSRMZNBIIWHHKA-KDURUIRLSA-N 427.549 1.769 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOc2ncccc2Cl)CC1 472273782 GBPGEQVOQJXHHW-UHFFFAOYSA-N 449.920 1.702 30 10 IDEE COc1cc(CC2CN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc(OC)c1 482841212 GGBCHOKZPYAJIW-HNNXBMFYSA-N 443.525 1.943 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]2C(F)F)CC1 502837304 AMFHPRXFDASRMF-INIZCTEOSA-N 426.489 1.511 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 503370876 SATJRCVPYQDJIV-UHFFFAOYSA-N 442.277 1.911 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1[N+](=O)[O-] 506506443 RBHCLSPHKSZLMT-CYBMUJFWSA-N 426.433 1.683 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508732393 HAZAONRRAREMSX-NRFANRHFSA-N 442.612 1.557 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 509000878 LCHHCEQJGWRPKX-OAHLLOKOSA-N 438.598 1.740 30 10 IDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc(OC)c(OC)c1OC 513565116 DPAAQYVOHKNMOA-UHFFFAOYSA-N 433.461 1.980 30 10 IDEE CN(C(=O)CN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1)C1CCCCC1 513787131 UEHSIIITGKADKQ-UHFFFAOYSA-N 432.590 1.741 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCOC1 533086291 PIPCWJFWLQVBBW-INIZCTEOSA-N 436.533 1.753 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1-c1ccccc1C#N 533689933 OWCUXKJYPUMGLY-UHFFFAOYSA-N 438.871 1.812 30 10 IDEE C=CCSCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 541887795 VOIRYMOQLJGGLA-UHFFFAOYSA-N 435.365 1.838 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)CC2)n1 546219649 ALRHDODCRLUOMX-NRFANRHFSA-N 448.527 1.894 30 10 IDEE N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1Cl 566750151 KPDSNQBNXBJPKM-MRXNPFEDSA-N 426.860 1.946 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 573290623 HGBWYIQEMJSNQZ-QGZVFWFLSA-N 448.549 1.180 30 10 IDEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 585673623 LNYLPLNXQUESBI-WSUYWMSVSA-N 433.468 1.409 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N(CCCN2CCOCC2)Cc2ccncc2)c(F)c1 586863864 CBGQAFNJBPICQB-UHFFFAOYSA-N 439.491 1.460 30 10 IDEE C[C@@H]1CN(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C[C@@H](C)O1 604031603 PXYQRMJKMVPIKH-ZIAGYGMSSA-N 436.513 1.341 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)CCN2C1=O 675599856 CTIAJPPKYDFDSZ-FQEVSTJZSA-N 430.464 1.520 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 731070097 GOEXXFSXMRYMJP-VFNNOXKTSA-N 442.497 1.531 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CSCc1cc(=O)n2ccsc2n1 734291608 VQMOWKASNCYJIU-UHFFFAOYSA-N 434.524 1.674 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCNC(=O)c1ccc(Br)cc1 746201772 CAQSSVZEIHXCGQ-ZPHPHTNESA-N 449.305 1.602 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 755626839 FCKJPWWMBFQUQY-INIZCTEOSA-N 445.566 1.736 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 758049617 GOQLZIRZIRNZAP-UHFFFAOYSA-N 428.583 1.473 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccn(C)c2)c1=O 763436619 IZKOCVCFNKTZLH-UHFFFAOYSA-N 444.516 1.958 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767885517 TUXAZTLMARNDGX-UHFFFAOYSA-N 435.534 1.647 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C(C)(C)C(=O)OC)CC3)ccc2c1=O 779175761 WLFMUZPNYQHICN-UHFFFAOYSA-N 430.530 1.581 30 10 IDEE COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781653479 KYQXKBVGDPNAGR-UHFFFAOYSA-N 429.542 1.695 30 10 IDEE C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 789456475 PYTXLHYXXFXGAF-HSALFYBXSA-N 425.529 1.884 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1F 791209787 NOCRSYYZBIVHNG-SFHVURJKSA-N 449.479 1.960 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](S(=O)(=O)N(C)C)C3)ccc2c1=O 804190347 VTVRVJMVXGOXIV-CQSZACIVSA-N 436.559 1.367 30 10 IDEE COc1cc(C#N)ccc1OCCOC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 805428834 JHGCNWBUMRCSSV-QFIPXVFZSA-N 449.463 1.965 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC 812091952 DQLWYVHUXZDIKO-INIZCTEOSA-N 435.506 1.927 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CC2(C#N)CC2)[C@@H](CNC(=O)CC2(C#N)CC2)C1 815754172 FQBGFAPWBVDATH-INIZCTEOSA-N 429.521 1.938 30 10 IDEE Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916776007 MMSABKDIYKDUJE-ZDLGFXPLSA-N 426.433 1.637 30 10 IDEE CCOc1cc(C=NNc2nc(SCC(=O)NCc3nnc(CC)o3)n[nH]2)ccc1O 1084031319 YKBJKIUTYYTZKL-UHFFFAOYSA-N 446.493 1.709 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H](OCC)C1(C)C)C(=O)OC 1139175782 LUWIOWPRQHNROK-ZSDSOXJFSA-N 428.526 1.945 30 10 IDEE CCOC(=O)c1ncn(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1N 1169252212 BNVQCMUQCOATNI-UHFFFAOYSA-N 435.484 1.579 30 10 IDEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1197542118 ZLOGJMYREBVLJM-MRXNPFEDSA-N 438.550 1.366 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCc2ccc(C#N)s2)C1 1230243248 OUSPHCWRFWYNPS-HNNXBMFYSA-N 442.563 1.843 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccc(F)cc1 1230478827 PRURVFYIMUQEIQ-FQEVSTJZSA-N 430.505 1.862 30 10 IDEE O=C1COc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c(Br)cc2N1 1254477040 GAANTKYZSHCOGQ-ICFOKQHNSA-N 435.234 1.036 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnnn1CC1CC1 1286383705 ZBKBUBNXQNPJMI-IYBDPMFKSA-N 441.540 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H](C)c2ccccc2)CC1 1286471350 JEJMKWUFJNOSJY-RTBURBONSA-N 444.605 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(C)(C)COC)CC1 1286490839 UGRNVRZANPVWSK-GOSISDBHSA-N 444.580 1.648 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1286614848 CVWRBZYKXQTWFA-CVEARBPZSA-N 432.550 1.269 30 10 IDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1286618335 ZGNVRNKBIRTPDN-RBUKOAKNSA-N 447.561 1.550 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286618765 HJBWOPGWTIFUKX-QGZVFWFLSA-N 433.944 1.985 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286790494 SQXHDKGSTFJTMW-IBGZPJMESA-N 444.605 1.781 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286818931 TZMJKNDNZDYCIY-CYBMUJFWSA-N 432.428 1.103 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1292771517 CPKXEMJHWSPNSR-OAHLLOKOSA-N 448.531 1.836 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298580350 SROIENFFWZDULX-DPPKGPFUSA-N 444.536 1.561 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1300356758 FKXGOWLQNGNVRT-PZJWPPBQSA-N 449.559 1.381 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(OC)c2)CC1 1300408618 BKRDCDOKWHSQHL-GOSISDBHSA-N 443.573 1.929 30 10 IDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300763034 UEMHKZNECAZWNJ-UHFFFAOYSA-N 443.577 1.969 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1300767478 ZYMMHNMRDAKRQZ-QGZVFWFLSA-N 425.518 1.900 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300873188 IGRADGRBQUDIIQ-BBWFWOEESA-N 434.541 1.674 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300888593 LBGRFLSKJZWASB-BJLQDIEVSA-N 431.562 1.868 30 10 IDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCS(=O)(=O)CC1 1301286720 JGCAFZONQOGNDP-UHFFFAOYSA-N 442.545 1.693 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301448243 GDMUOCFLBKMETB-NYHFZMIOSA-N 442.520 1.495 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1301491310 OXVCEFJKSGOJCY-UHFFFAOYSA-N 431.500 1.804 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301500346 LDRMHSUEYDXISW-MRXNPFEDSA-N 439.495 1.422 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1302167633 ZKBHHGPXEVTIMG-LJQANCHMSA-N 426.521 1.973 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1303642650 XTDXOAFLJTXEDR-OAGGEKHMSA-N 440.570 1.164 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2n[nH]cc2N)C1 1305383566 BJGBVXVPAVFXPU-BBRMVZONSA-N 430.534 1.461 30 10 IDEE C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)C1=O 1308116546 GZIRYEVVRHWUNV-QFIPXVFZSA-N 440.500 1.299 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 1314260948 GLNWACXLIJCJCI-WBTXTPOCSA-N 445.545 1.370 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)c2ccco2)CC1 1359037344 GIHCABFBYFWAKK-OAQYLSRUSA-N 426.546 1.890 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359093067 JTAYXSOEXXPENW-HKUYNNGSSA-N 449.581 1.121 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359215655 GYPIAVNEEQHBKA-SQNIBIBYSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359291338 MSNMLYNLLKBISI-UHFFFAOYSA-N 442.442 1.164 30 10 IDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(S(C)(=O)=O)CC1 1359311407 ZVNOYNNFERMMTO-UHFFFAOYSA-N 435.550 1.509 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)c1OC 1443588261 NQVNNRVJPRSSAO-QGZVFWFLSA-N 431.470 1.566 30 10 IDEE CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1444540412 AAANQCACVVHXGC-IBGZPJMESA-N 442.472 1.691 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1448355944 NTPLUVJWAKRHAF-XXBNENTESA-N 427.501 1.137 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C1CCN(C)CC1 1462999392 SGMVGWHOBKQAPL-QZTJIDSGSA-N 433.574 1.654 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 1466974233 KAFWBTCFXNIENK-UHFFFAOYSA-N 434.440 1.364 30 10 IDEE N#CCc1ccnc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 1467112498 DLEOIXJJRXIPBC-KRWDZBQOSA-N 429.502 1.927 30 10 IDEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H]1CCCN(O)C1=O 1468451616 BLQGUFXQAUGCAE-HZPDHXFCSA-N 437.294 1.474 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc[nH]n1 1471564172 RUIQHDBEOFNNOF-CQSZACIVSA-N 428.367 1.562 30 10 IDEE CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1503807359 ZPZWNPRNHZNEBZ-IBGZPJMESA-N 437.548 1.883 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507576172 JFTYKQJLDUVAGR-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507629247 LRWSAHKWSMYJIY-GOSISDBHSA-N 441.557 1.618 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1507658888 QWSNDKYGVPUBOK-FQEVSTJZSA-N 448.575 1.414 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1507660423 SYDKYVZLLWJCTC-KRWDZBQOSA-N 444.561 1.582 30 10 IDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1507672978 LAKHAEBXHRYRJJ-UHFFFAOYSA-N 447.587 1.194 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1Cc1nnc2n1CCC2 1507714301 MCNBTKABYXQAHD-UHFFFAOYSA-N 425.468 1.668 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507812933 QUGCEHZFMXJDEK-TXPKVOOTSA-N 427.571 1.629 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507965362 MPJCNKACDNBSHL-NRFANRHFSA-N 448.593 1.747 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@H]1C 1507979012 YKEIKANWAVJPQK-MRXNPFEDSA-N 433.582 1.581 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1)C1CC1 1507987680 JLIZFWRIRJZYOJ-OAHLLOKOSA-N 442.549 1.672 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508071122 BDVOXDUWQMJIGQ-HNNXBMFYSA-N 442.520 1.322 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508093804 CWFSWEWBLTXNIY-GOSISDBHSA-N 438.532 1.403 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508664574 OQBJMQKQXZYTRJ-AEFFLSMTSA-N 445.568 1.873 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)c1 1519568084 XUDADMWEPHNMKH-UHFFFAOYSA-N 447.538 1.477 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1521128337 BENQCGPIQSUUIJ-RRFJBIMHSA-N 448.321 1.976 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1 1527665587 KZAPZVMYCGLSGU-LFVJCYFKSA-N 427.490 1.970 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)[C@H]1c1nccn1C 1532791778 SAUBEFOGQABVAF-PMACEKPBSA-N 433.472 1.464 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1539011140 ABWQRWNGWQHBPU-MAUKXSAKSA-N 435.525 1.451 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCOCC1 1539200618 MHSXHTDKRJVLLR-OKZBNKHCSA-N 432.569 1.839 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539215610 GYQNXOOWEFTFFM-IBGZPJMESA-N 430.578 1.697 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225589 PHVGMGUNJKRXSS-QUCCMNQESA-N 449.621 1.358 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1539246573 UDHBKFOXASPVHK-UHFFFAOYSA-N 427.530 1.194 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1539260323 OLPOBADXBUCNNN-IRXDYDNUSA-N 428.537 1.851 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1540869659 TYFHIUAITDHLIA-KRWDZBQOSA-N 439.520 1.223 30 10 IDEE CN1CCN(Cc2ccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc2)CC1 1541041228 QHFVEPQUPCJGCB-UHFFFAOYSA-N 444.532 1.800 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1541137137 KNTHGGFXZYARPR-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cn1 1552831122 HVMONHRYRRKQDE-BEFAXECRSA-N 433.513 1.131 30 10 IDEE Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCC(F)F)CC2 1554364802 IGYSWMDYZAAYGK-UHFFFAOYSA-N 441.442 1.755 30 10 IDEE COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1555439978 HYTRLSANJDLYFY-CVEARBPZSA-N 440.570 1.024 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1555663022 IKTBAHCDGVWUHJ-SFHLNBCPSA-N 445.612 1.911 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OC)c1OC 1555671301 QCEFFXMCZQYSFU-NVXWUHKLSA-N 431.493 1.796 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1556172044 MJBZZLYIYDQDMO-MBSDFSHPSA-N 442.516 1.932 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1 1558328571 AVTQQMUOVLDGHY-QGZVFWFLSA-N 445.589 1.453 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1nnc2n1CCN(C)C2=O 1560136806 FGEWNWLSFYBCOJ-CQSZACIVSA-N 427.534 1.828 30 10 IDEE N#C[C@]12CN(C(=O)NCCN(Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1565305990 FGCHSUUAUDFWMU-SIKLNZKXSA-N 439.541 1.668 30 10 IDEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1587786868 BUUPNQDOGZEOPP-LJQANCHMSA-N 427.505 1.620 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588133894 OCMDJQLIRKHORC-QGZVFWFLSA-N 429.521 1.539 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588262523 GERNJFXMDUXDRU-SJORKVTESA-N 436.582 1.080 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1CCNS(=O)(=O)Cc1ccon1 1588472088 CFXYTCGUCMCBND-UHFFFAOYSA-N 432.481 1.473 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1589060810 ZACSMZSPXFWIEL-GOSISDBHSA-N 426.546 1.628 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1595302912 GZNFUGRAXKIJBK-ZWKOTPCHSA-N 439.582 1.606 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595442114 CELUSVPARBOEKC-GOSISDBHSA-N 428.468 1.949 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CCO2)cc1 1598186425 UFUZYMPFRNHMDX-LJQANCHMSA-N 446.554 1.838 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1610337945 UUKKIHJLVUVICC-KKSFZXQISA-N 434.541 1.339 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCc4ccccc4NC3=O)C2=O)cc1 1611419539 SEHHOQDXSWCXBV-OALUTQOASA-N 431.452 1.833 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@H](C)O1 1612977977 JXJXPFVKEYAMPR-QZTJIDSGSA-N 428.537 1.921 30 10 IDEE CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1617192947 ZNOVVOUFLBOGPD-SFHVURJKSA-N 448.549 1.156 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1617313214 FSEVBWBENIRTIF-ZWKOTPCHSA-N 442.545 1.499 30 10 IDEE COc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)c(OC)c1 1619175727 UDDBPMWJUIBUFG-UHFFFAOYSA-N 445.501 1.956 30 10 IDEE COc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)N(C)C)cc1 1619194264 JHDBZOBUSDZGSX-UHFFFAOYSA-N 447.499 1.967 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1620176302 AXWURDJOONSWMQ-MSOLQXFVSA-N 430.534 1.371 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@@H](C)COC 1620413959 LWQIPMIVWSVMTA-KRWDZBQOSA-N 437.562 1.245 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1=O 1622074363 CTWIICRRXSEFGZ-ZBSNKRKSSA-N 425.454 1.997 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(SC)cnn2-c2ccccc2)CC1 1623234742 CXHVPVQPLYJKLY-UHFFFAOYSA-N 434.547 1.211 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)CC1 1623317796 CVHJQCFZPNYMJN-UHFFFAOYSA-N 428.514 1.883 30 10 IDEE Cc1cc(C(F)(F)F)nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1625121590 XVGJBKVVRCPGMT-UHFFFAOYSA-N 439.419 1.822 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cnc(OC)c(C#N)c3)CC2)cc1 1627431387 GPNXAQIWOKTGES-UHFFFAOYSA-N 431.474 1.509 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1627531845 CCSLTQSPPXHQIN-UOJCXKCYSA-N 434.518 1.349 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1 1629288337 IZRMPISXKLHBPT-FCHUYYIVSA-N 441.553 1.876 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1631315572 SNAPAOMRIMFKMP-OAHLLOKOSA-N 427.548 1.165 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCc4c(CC#N)cccc4C3)C2)cc1 1635074149 JCXYINVCEHIPLN-UHFFFAOYSA-N 440.525 1.902 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c(Br)nc3n2CCOC3)[C@H](C#N)C1 1635213639 HSEKCRQYFXLLPE-LLVKDONJSA-N 440.298 1.761 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1638482844 RBRWUDBLCIXNAO-QZTJIDSGSA-N 434.541 1.937 30 10 IDEE Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(=O)n(C2CCCCC2)n1C 1640621079 WWDAQHBMLKJOMM-UHFFFAOYSA-N 431.518 1.678 30 10 IDEE Cc1cc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)nn1-c1cccc(C#N)c1 1640863479 STDWFGZIWOSRSR-UHFFFAOYSA-N 427.511 1.960 30 10 IDEE C=CCC1(O)CCN(C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)CC1 1641873105 GQMXOEFGXIIFDY-UHFFFAOYSA-N 434.562 1.956 30 10 IDEE C[C@H](CC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1644437564 HYOUVGUAHIOTLL-LDYMZIIASA-N 429.367 1.178 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1 1644673245 FFGFILMYUYFROH-MRXNPFEDSA-N 430.386 1.924 30 10 IDEE C#C[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)C1 1648879831 ATTJXLKZXHSSOV-CQSZACIVSA-N 425.470 1.955 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC(C)(C)c1cccc(C#N)c1)CCS2(=O)=O 1676632311 MPXRTGOBKZZCLB-LBKMDBTOSA-N 433.530 1.992 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 1678132786 ZSXBXCOJQVQSLB-UXHICEINSA-N 434.562 1.258 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CCO2)cc1 1683518271 SLEPZIWTRXZSCD-MJGOQNOKSA-N 427.482 1.876 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 1685646325 QOYYAZLWDKBPQY-UHFFFAOYSA-N 428.518 1.065 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1686341195 DXYJUQHXQLEFLA-KRWDZBQOSA-N 447.561 1.209 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1689831094 FQLXFWARMRAGLL-HTAPYJJXSA-N 436.520 1.801 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1689946921 ZUNINEAIKIRTHW-LLVKDONJSA-N 431.440 1.747 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1689992564 LUYSYYWICQICBO-IBGZPJMESA-N 449.621 1.896 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@H]1C 1690005154 TYZGPHJKRGPAMQ-OAHLLOKOSA-N 431.338 1.829 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690316225 ASXUNSWCPBZQNS-INIZCTEOSA-N 425.555 1.007 30 10 IDEE C=CCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690493556 LLDWRNIKQOWPFX-LJQANCHMSA-N 427.571 1.414 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690672249 MLUKCMKOTVVTFR-INIZCTEOSA-N 438.598 1.173 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690673021 LMHNKUJLRFBTLQ-NRFANRHFSA-N 428.924 1.541 30 10 IDEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1692489663 FMHNUNSDGMXGIV-LJQANCHMSA-N 437.548 1.928 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cn[nH]c1 1696849685 KEOHPWYRZCTTJI-AWEZNQCLSA-N 431.298 1.741 30 10 IDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CCOCC1 1697805085 BPZRGQYSNQVQFS-UHFFFAOYSA-N 438.532 1.962 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705535855 AKMHBWMGJRCAJO-UHFFFAOYSA-N 443.577 1.220 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705570042 LXRAPLVZMDAMQV-CABCVRRESA-N 434.484 1.825 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1705612179 BKRBLMVUXWAZMD-QGZVFWFLSA-N 429.546 1.895 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1705612245 CSYIOEREXCOLCU-GOSISDBHSA-N 433.534 1.127 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1705621159 UGWKRNKAUIUYDD-QFIPXVFZSA-N 427.480 1.331 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OCC)CC1 1705905031 GUVLSBQBGRFAMF-UHFFFAOYSA-N 448.474 1.728 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1706625003 CEPLRLKTAIGOQG-IBGZPJMESA-N 434.504 1.438 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)C1 1706934674 DSNZJVUEWJKLEG-LAUBAEHRSA-N 448.593 1.713 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1722293321 CFYLFNOVAOWKMN-QZTJIDSGSA-N 435.594 1.283 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1722424336 JYZMRIQIBOXWRV-UHFFFAOYSA-N 444.536 1.663 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1722436885 GRZIGHDREWBFEW-QGZVFWFLSA-N 432.569 1.841 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2cccs2)CC1 1722442375 ZAFRXRFBRSFVOK-OAQYLSRUSA-N 428.562 1.125 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722460086 BYALEMLWHVVDGD-NRFANRHFSA-N 439.633 1.847 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722508495 SMGOYPNKUOUHJA-WWNBULGVSA-N 430.553 1.705 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722538455 PVUGZORQYGQZDD-QGZVFWFLSA-N 429.525 1.848 30 10 IDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722642400 BGMMKEAXKGMLDG-INIZCTEOSA-N 435.550 1.769 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CCC)C1 1722730407 QQYRRKIKIGOSOI-GOSISDBHSA-N 436.582 1.746 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCOCC1 1727199133 OWNZGUPZNLGNSV-OAQYLSRUSA-N 435.548 1.751 30 10 IDEE CCCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cn1 1728217302 BMOOBEXVLHPNDI-QGZVFWFLSA-N 448.487 1.886 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(N)=O)c1 1730759326 HWUNKVJSBUEEPJ-UHFFFAOYSA-N 425.493 1.028 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)C1 1731180411 BBIRDZQYEFSAIV-JTDSTZFVSA-N 441.529 1.065 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC2CCS(=O)(=O)CC2)CCO1 1731186874 HMDPIIIDLXKDLW-KRWDZBQOSA-N 433.509 1.562 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740576114 XVJYOLYWWJBAFV-OALUTQOASA-N 435.594 1.285 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C(C)=O)CC1 1740662644 OTNBSZWMELKOCS-UHFFFAOYSA-N 446.559 1.959 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740685573 OFFFOEIYIFSYJR-IAGOWNOFSA-N 445.486 1.521 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](OC)C(F)(F)F)CC1 1740689303 UWVKWELEYDDAGE-HNNXBMFYSA-N 428.459 1.237 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740717572 WCDCHIJJMMPCOJ-ZWKOTPCHSA-N 437.635 1.611 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740717872 BTZOPMXTKXMFNT-SFHVURJKSA-N 434.610 1.185 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740757669 QTDASXZATFGICP-XYJFISCASA-N 427.509 1.993 30 10 IDEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740872666 RFRNEFILRSVLRR-UHFFFAOYSA-N 438.532 1.847 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1740964760 UKOQTDCHJAAOKT-INIZCTEOSA-N 436.557 1.858 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1740993288 WGYRKTWHWHWYHO-HDICACEKSA-N 438.525 1.459 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@H]21 1741002684 KMXFZFHYIPBVGJ-JYJNAYRXSA-N 427.596 1.519 30 10 IDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)COCCO1 1742010264 PUXCMXHLYNNFEM-NRFANRHFSA-N 445.545 1.636 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CC(=O)N2CCOCC2)c1 1748692089 QWFDRLQKWKYIPB-KRWDZBQOSA-N 438.532 1.707 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)cc1 1748877036 BQJWWOVYAHVFJR-SFHVURJKSA-N 442.476 1.437 30 10 IDEE COCCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749654958 BDMQFIBKBPAYHK-ROUUACIJSA-N 440.552 1.975 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(CS(C)(=O)=O)CC2)C1 1749714835 NOOMRCXCBSTSBL-SFHVURJKSA-N 431.562 1.870 30 10 IDEE C[S@@](=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750222876 IFNLVNDQXZCAFR-FZEVHQGJSA-N 442.545 1.170 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1750564421 FWCJSXPFJRXWBC-UHFFFAOYSA-N 440.548 1.957 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1751296649 NAWCLTNBIXIVRK-VDMFXUGISA-N 445.549 1.087 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1752425831 HQZNEDJNXFPTSV-DLBZAZTESA-N 446.577 1.808 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@](C)(O)CCOC)c1 1760126481 ZXUIAWXFYMKTFM-QHCPKHFHSA-N 449.515 1.579 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760147265 LXRJJDREORYVPZ-KDURUIRLSA-N 447.561 1.459 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cn2ccccc2n1 1760242478 DXQCQBZRXPIWNE-UHFFFAOYSA-N 444.499 1.902 30 10 IDEE C=C(Br)Cn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760313486 BPJFHIGSBYXEPS-JKIFEVAISA-N 429.315 1.789 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760449161 CFQYTMSBELBCBV-LJQANCHMSA-N 442.568 1.854 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)CN1CCOCC1 1760461559 YNIHNTMLISEZDQ-QGZVFWFLSA-N 447.609 1.829 30 10 IDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O)C1CC1 1760471007 JOLGQKSRFCEYJS-LJQANCHMSA-N 425.555 1.121 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760548205 APDMXOKTYBKWAZ-KRWDZBQOSA-N 443.577 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1760553064 KMDPABIXUBPICD-FQEVSTJZSA-N 447.492 1.759 30 10 IDEE CC1(C#N)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)CC1 1761548823 XMZPMFNNKNMLDM-CQSZACIVSA-N 427.534 1.678 30 10 IDEE CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CCN1CCOC 1765625206 PTZAGNBRZWVUKN-QGZVFWFLSA-N 443.552 1.866 30 10 IDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1766567421 IGLFNSBAMBCPRO-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1768540241 QTAIJXYWSBTQDO-AYAKEVCGSA-N 438.488 1.705 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1769423298 HLLDLILQLZJBKR-GOSISDBHSA-N 438.532 1.962 30 10 IDEE COCCN(C)CCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771079517 DVJPFWOXEASHNH-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE CSCCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1771458370 ZWASUZVBAQJHDG-JKSUJKDBSA-N 427.596 1.832 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N2CC(F)(F)C2)cc1 1851986109 TWLBCCHSHREOJU-GOSISDBHSA-N 435.452 1.934 30 10 IDEE CN(C)C(=O)COc1cccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1 1852535246 UJNYVZRAUWDMPB-UHFFFAOYSA-N 437.500 1.399 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 1853323259 DZHUMZYXGWBVCP-UHFFFAOYSA-N 426.542 1.182 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C1CC1 1854400499 AVKIERINZOATMW-SFHVURJKSA-N 431.514 1.310 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1 1856412481 TUUSTDVVOSLRLF-CRAIPNDOSA-N 436.509 1.342 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2C 1864317125 UWVLNCNHDCRJFK-SFHVURJKSA-N 425.489 1.240 30 10 IDEE C=CCN(CC=C)c1nc(=NC(=O)c2cccc(Cl)n2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870004764 KJIQBXCNKHESKF-ZDUSSCGKSA-N 436.925 1.539 30 10 IDEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870386832 GKYQBZSKBNGFML-JOCHJYFZSA-N 447.963 1.910 30 10 IDEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593134 GTDDKJAJFMCJPT-UHFFFAOYSA-N 441.580 1.748 30 10 IDEE C=CCn1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc2c(=O)n(C)c(=O)n(C)c21 1873599040 FZRWLZICNNEVPL-HXUWFJFHSA-N 435.528 1.792 30 10 IDEE C=C[C@@H](O)CS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892220671 ICPWOHVQYTUXNC-VLIAUNLRSA-N 445.493 1.940 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 1984792328 XUFHNZPGFMUMJO-KGLIPLIRSA-N 425.482 1.436 30 10 IDEE Cn1cc(C#N)c(=NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)[nH]1 2010468651 NSXFINTXBDPCAB-INIZCTEOSA-N 427.461 1.679 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c(N)c1 2162567809 KEMWXIXHGOSSKL-MSOLQXFVSA-N 430.486 1.503 30 10 IDEE Cn1cc(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255611135 RTHYDLAHUZNFBN-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255702947 NDCHWKDUGWSFIC-UONOGXRCSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2259345097 CGYYUAFMACQDTN-UKRRQHHQSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCOc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C(=O)C1 2266711809 RSUKUSBRWPZMHA-UHFFFAOYSA-N 447.341 1.839 30 10 IDEE Cc1c(C(=O)N(C)C[C@@H](O)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267135088 YNJHSLVDSRPRSP-GOSISDBHSA-N 443.353 1.677 30 10 IDEE Cn1cc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267180850 JUNGCTUMEBMMEC-UHFFFAOYSA-N 446.357 1.943 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2267263303 DLTLBRPFVBEQES-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263862 KYPFLEFVDNUIKE-LSDHHAIUSA-N 448.329 1.140 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2267266056 NAUJOLLYKPAVCZ-UONOGXRCSA-N 449.361 1.538 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267269720 GUOKIVXIOKCDEK-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE CC1(C)OB(C2(C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)CCC2)OC1(C)C 2267461493 RSJYLMXCQXZVDE-NEPJUHHUSA-N 447.263 1.384 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)O 2269069060 UNULORUTJGNGIZ-WMLDXEAASA-N 443.309 1.508 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2329013208 XJVYWNSITQSCNH-ZDUSSCGKSA-N 431.478 1.370 30 10 IDEE CC[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)N1C=N[C@@H]2[C@@H]1C(=O)N(C)C(=O)N2C 19938146 XUBMNDCCGCIINO-BMFZPTHFSA-N 428.518 1.778 30 10 IDEE C=CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)CC1 169882448 PJNTXCIORXHLEF-UHFFFAOYSA-N 429.473 1.836 30 10 IDEE CC(=O)N1CCC[C@@H](CCCS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208046546 WRIVBMGLLLIDBB-INIZCTEOSA-N 437.371 1.588 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)C2=O)cc1 439816050 FUMLJWAMDDPLSB-LJQANCHMSA-N 431.452 1.545 30 10 IDEE N#Cc1ccccc1N1CCCN(c2nnc([C@H]3COCCO3)n2C[C@H]2CCOC2)CC1 461686152 FXHUMBMMUUGJBE-WIYYLYMNSA-N 438.532 1.991 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)C1 473374098 OUJUTLBXANGHIR-MRXNPFEDSA-N 436.472 1.913 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 477796068 WRQKRWLJDLJCOZ-SFHVURJKSA-N 435.546 1.395 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 481141256 KWRDQFCVHCTSTP-INIZCTEOSA-N 432.546 1.476 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 483377166 XSWFZWVDHUJDBO-QGZVFWFLSA-N 427.530 1.956 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CSCc2nc(O)c3c4c(sc3n2)CCC4)CC1 503625544 CHJSJCUBEGJCGG-UHFFFAOYSA-N 431.543 1.703 30 10 IDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508846970 SMFGFXAJVZRISH-NRFANRHFSA-N 425.581 1.681 30 10 IDEE Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)cc1S(=O)(=O)NCC#N 518182038 XNKUCHQVZWNUPR-IBGZPJMESA-N 433.578 1.039 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1-c1ccccc1C 544724845 KZXXJBGQAJONLR-UHFFFAOYSA-N 449.488 1.194 30 10 IDEE N#Cc1ncn(CCNC(=O)c2cccn2-c2cccc(I)c2)n1 553497131 CVZFYNBKSBNEBZ-UHFFFAOYSA-N 432.225 1.975 30 10 IDEE COc1cc(CNC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)ccc1C#N 558614572 PMQDJSARLSVUTE-QZTJIDSGSA-N 427.549 1.899 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@@H]1CCCO1 560797891 WUKCQKKGQXGXLQ-INIZCTEOSA-N 429.517 1.566 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2Cc2ccccc2)c1 565586962 SGAUFBLUTPQEHL-IBGZPJMESA-N 427.468 1.012 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(OC)n3)c2=O)cn1 577927699 GLMFMUZACOYUBP-UHFFFAOYSA-N 448.504 1.578 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)CC1 596079312 DWIHAAGMLYCKDS-UHFFFAOYSA-N 426.521 1.423 30 10 IDEE CCC(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 609070719 OFFDZETUXXPUCX-KRWDZBQOSA-N 430.509 1.826 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CNC2(c3ccc(Cl)cc3)CCOCC2)c1=O 730931979 MKDJVHTUIYEBBQ-UHFFFAOYSA-N 432.908 1.450 30 10 IDEE Cc1cccc(C(=O)N2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1 732464951 ANFYURRMFHWRBD-VXPUYCOJSA-N 425.489 1.379 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1C#N 747498114 LICKQJYGHXXDGX-UHFFFAOYSA-N 444.513 1.899 30 10 IDEE CCOc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)cc1 751922328 NIGWQHMXPYMQSJ-RHSMWYFYSA-N 449.577 1.219 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(C2CC(F)(F)C2)C1=O 757916540 WIFPVDGQXKBRPD-ZRRMFLMDSA-N 439.532 1.790 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccn(C)n2)c1 760453138 BQUVFPZHUYTBBO-IBGZPJMESA-N 442.589 1.971 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 762413673 BNGFQWNQWDUKNV-IERDGZPVSA-N 448.545 1.949 30 10 IDEE CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cn1 770457187 BJMCNGHDKQHJET-CQSZACIVSA-N 446.485 1.490 30 10 IDEE COC(=O)c1cc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 777945903 ROADLXDDNWKZON-JTQLQIEISA-N 434.337 1.658 30 10 IDEE C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 790708687 JZPRZRWIMZUUBF-ROUUACIJSA-N 443.573 1.587 30 10 IDEE CC(=NNCC(C)(C)S(C)(=O)=O)c1ccc(Br)c(S(N)(=O)=O)c1 797403434 MMSDVLNMLBNVFY-UHFFFAOYSA-N 426.358 1.233 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 808113304 DJCFBXNSJFUSQS-CQSZACIVSA-N 431.470 1.667 30 10 IDEE C#Cc1ccc(CN2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)cc1 809549851 OKPVXJHFWWRGAA-UHFFFAOYSA-N 432.567 1.886 30 10 IDEE Cc1nsc(N2CCN(CN3C(=O)N[C@]4(CC(C)(C)OC4(C)C)C3=O)CC2)c1C#N 811785624 FCKTZFFMBYORTH-HXUWFJFHSA-N 432.550 1.671 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)cc1F 813689284 IEFMIHDCDCFNEB-DOMZBBRYSA-N 441.481 1.958 30 10 IDEE COc1ccc(-n2cc(C/N=C3/NC[C@H]4CN(C(=O)OC(C)(C)C)CCN34)nn2)cc1 849087319 XBWPIGKZEUMSHZ-KRWDZBQOSA-N 427.509 1.656 30 10 IDEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 916775069 JSZHZXXXVBDCAN-QKKBWIMNSA-N 446.529 1.641 30 10 IDEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2nncs2)n1N 1084444574 FVHAYBJPLMMKKZ-UHFFFAOYSA-N 435.543 1.414 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(=O)Nc1ccc(I)cc1 1128853543 QYHJFFRAILMNBT-CQSZACIVSA-N 429.258 1.817 30 10 IDEE COC(=O)CCN(CC(OC)OC)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1138150596 KMGAPJDSILDHAJ-CQSZACIVSA-N 437.880 1.575 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Br)cnc2OC)c1 1147676325 NJJRNCWBHIBFCY-UHFFFAOYSA-N 438.303 1.694 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1148505461 IOULDFUWHXFKRI-DOTOQJQBSA-N 447.966 1.184 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)cc1 1168716066 DJXQLMKYDMKWQZ-IFMALSPDSA-N 436.487 1.550 30 10 IDEE COc1ncc(NC(=O)CNC(=O)c2ccccc2I)cc1C#N 1177480695 UFSGLZAIPGVHRB-UHFFFAOYSA-N 436.209 1.935 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2cncc(C#N)c2)cc1 1178373563 LAQMYXZPRPBYEN-QUCCMNQESA-N 428.514 1.517 30 10 IDEE CCS(=O)(=O)C1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1194336006 HRYUDJIMFALAFY-OAHLLOKOSA-N 434.562 1.475 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)N1CCOCC1 1286317117 CDFYBQDESQNJRI-UHFFFAOYSA-N 425.489 1.772 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1286435548 DFPYRVJPTUPHEX-OAQYLSRUSA-N 428.924 1.799 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286782973 JIXAYBFUGKEAJC-FQEVSTJZSA-N 430.896 1.932 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286790014 JKPGOBWFFVLDDH-HXUWFJFHSA-N 449.559 1.953 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCN(C)C2)C1 1286812997 VSSPNPBCPIBHHY-NFBKMPQASA-N 427.549 1.748 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286823340 MEMVEDSMSRYYDT-HNNXBMFYSA-N 448.597 1.910 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287148088 LLCQBKSJFIRRIB-HRAATJIYSA-N 425.493 1.171 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[C@@H]2C)CC1 1288014185 JFDARHOCDLKEJV-QFBILLFUSA-N 435.532 1.646 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2Cc2ccc(C#N)o2)o1 1289601868 HVKYDUBVWYSNER-ZDUSSCGKSA-N 430.490 1.830 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCN(S(C)(=O)=O)CC3)C2)C1 1290643134 ZJGMMPRVWZEFDF-RDYUPDBUSA-N 440.566 1.313 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1297777112 HYVNYOKUCHVGGC-OAHLLOKOSA-N 432.550 1.760 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 1298540008 WIPAUBMCFLVWFQ-AEFFLSMTSA-N 434.334 1.420 30 10 IDEE CC1(C)[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCOCC1 1300189466 SMFKZUUVPSVUQX-GUDVDZBRSA-N 439.516 1.379 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1300309050 RZTGUFXCBQZGCM-GJZGRUSLSA-N 435.516 1.912 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1300630937 JXFBWJXIDCDGOK-GOSISDBHSA-N 435.525 1.566 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@H]2COCCO2)CC1 1300703962 WZZGUSPNARYTKO-FQEVSTJZSA-N 425.533 1.438 30 10 IDEE C[S@@](=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1302508142 HRSDXAWVXPBNBG-KUNJGFBQSA-N 425.580 1.221 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)CCO1 1303003361 GPKHGAPFVPQYIX-HUUCEWRRSA-N 437.472 1.430 30 10 IDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)s1 1304355840 HYAYWWSZEMKUPK-XJKSGUPXSA-N 438.579 1.768 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCn2c(S)nnc2-c2ccc(OC)cc2)CC1 1306842116 KSTUZXAOFHZXQY-UHFFFAOYSA-N 429.502 1.938 30 10 IDEE CCCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1307036234 NIUCJSNRAPEHGD-CVEARBPZSA-N 425.603 1.749 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1309311769 BAZALDQEQGMFMW-GFCCVEGCSA-N 447.318 1.882 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)cc1 1315429611 UGPUXVGHVJHBTD-HXUWFJFHSA-N 436.472 1.808 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1358976334 ADRIYXQYAHNATF-UHFFFAOYSA-N 436.516 1.871 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1358977932 AERNVVACYNNTAM-INIZCTEOSA-N 433.559 1.203 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(NC(C)=O)cc1 1359018215 IAVLIVFAVSXQAE-UHFFFAOYSA-N 438.532 1.801 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(CC)s2)CC1 1359035979 JXHJQYYKMWZQIR-INIZCTEOSA-N 433.603 1.608 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359048321 MHSHFUOVEXAELH-QGZVFWFLSA-N 435.594 1.805 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@H]1C 1359259284 QYGAQWBLNHVVOW-KPLVRAHFSA-N 446.573 1.913 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1359272329 PMNDGORFUKBNFW-VGSWGCGISA-N 449.552 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1359298795 MKIQGUKLDWBXCI-UHFFFAOYSA-N 430.534 1.600 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359336694 YWMXGSNZPOFLQW-MRXNPFEDSA-N 446.595 1.134 30 10 IDEE C#CCN(C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1442018891 PVZNGEKTYNVAGG-CVEARBPZSA-N 428.551 1.788 30 10 IDEE O=C(N[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1)c1ccccc1 1444678656 NIJZVRRSQQEKEV-KRWDZBQOSA-N 440.525 1.536 30 10 IDEE Cc1ccc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 1450169060 CFDUZHFNHVQHAA-UHFFFAOYSA-N 427.548 1.130 30 10 IDEE C#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCC1 1455189718 VQWFIRBRERUWFV-UHFFFAOYSA-N 435.521 1.501 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)OC)c1 1457237700 PSTYOXOWQOASGQ-IBGZPJMESA-N 430.482 1.597 30 10 IDEE Cc1cc(N2CCC[C@H](Nc3[nH]c(=O)n(C)c(=O)c3C#N)C2=O)ccc1Br 1458303594 FPCQLAQAWZIULH-AWEZNQCLSA-N 432.278 1.624 30 10 IDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOCC1 1462838274 GLRSYQQANNWBEV-UHFFFAOYSA-N 448.541 1.547 30 10 IDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1472438398 RJCBFELKLPVGFX-UHFFFAOYSA-N 429.336 1.955 30 10 IDEE Cc1nnc(N2CCCN(c3ncccc3F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492876322 NZYLNNMHAHKIDJ-CZIZESTLSA-N 440.483 1.364 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1507529040 PFCHGKMIIQIRSR-KZULUSFZSA-N 426.901 1.745 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(=C)C 1507538917 PZUNPYMUIIKPAW-XSLAGTTESA-N 437.566 1.050 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507544608 YVZJNHVAVWNEIB-DYESRHJHSA-N 432.546 1.481 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1507600893 LFGWBVCFWWWKAU-FUHWJXTLSA-N 447.561 1.482 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1507624633 CMWICKXEKOULNG-LJQANCHMSA-N 431.562 1.202 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507635016 RUQFLRMJOIXTAH-QGZVFWFLSA-N 443.504 1.979 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1507654146 WNCROIRORZRGBB-JKSUJKDBSA-N 443.598 1.883 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)C(C)(C)C)CC1 1507724182 JLVDSHMYXZFTEV-UHFFFAOYSA-N 447.580 1.977 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCN(CC)CC2)CC1 1507726604 CAZDNCYVQXEZAJ-UHFFFAOYSA-N 449.647 1.846 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1507731787 OXXHLCYDFXINKW-VXKWHMMOSA-N 443.640 1.201 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507744053 NJLCINSQRMBQRS-KRWDZBQOSA-N 436.545 1.468 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)C(=O)C1 1507800782 PGEMHTIRZUJSMN-APWZRJJASA-N 427.509 1.011 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccco1 1508145968 RZSZQJUSXGSNDJ-GJZGRUSLSA-N 442.563 1.571 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1508709279 IVNNCXCBRVZMAS-SPYBWZPUSA-N 442.561 1.578 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)/C=C\c1ccc(I)o1 1523980178 LZWSWTTZBBCFEK-RQOWECAXSA-N 439.213 1.967 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1539218832 DXNYNOYSYKFYFV-YYIAUSFCSA-N 440.591 1.168 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCCC1 1539232880 SWQVMYKCQQOTNI-UHFFFAOYSA-N 433.516 1.791 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1539370993 KNGRYWXGKKOZLV-NRFANRHFSA-N 438.532 1.414 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1539514053 VWZVIDJYYNLLJL-UHFFFAOYSA-N 442.593 1.773 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H](C(F)F)N1CCOCC1 1540068911 FTQBMBNYKGUXAL-HNNXBMFYSA-N 438.479 1.984 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1540901232 WWMHKYMGGKIMKB-NRFANRHFSA-N 447.561 1.517 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1541259762 JUNXWBUOEBWRFZ-LJQANCHMSA-N 435.532 1.790 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1544975477 RZVMHVGIORTCDF-DNTCVELPSA-N 439.545 1.732 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1554422342 KBRTYGLPUFWGAF-IBGZPJMESA-N 437.548 1.941 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1556660313 LDGFMKXGNMGOOS-DFQSSKMNSA-N 432.542 1.425 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCC#C[C@H]1CCCCO1 1558750306 BZTWGLFLNVNEDZ-CQSZACIVSA-N 434.436 1.942 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1568898151 NOYOXJUCYHGNLH-NEPJUHHUSA-N 429.461 1.232 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1CC(=O)N(CCOC)C1 1588240890 GWDMBYOTUJJPRX-IBGZPJMESA-N 425.558 1.888 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](COC(C)C)C1 1595496883 JRTFYHHHRBDUEL-IBGZPJMESA-N 429.521 1.886 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595658969 OURRTWAIFOPWLA-QZTJIDSGSA-N 438.532 1.805 30 10 IDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)CC1CC1 1612603827 HQMZVJXOMDZBBA-UHFFFAOYSA-N 428.562 1.605 30 10 IDEE CC/C=C/Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1614291011 QCVYAJAOBFPVND-BDUNBXCCSA-N 435.536 1.743 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1615993243 GVBDRVPSLLQCDC-UHFFFAOYSA-N 441.536 1.673 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)CC)CC1 1617221614 XJROGKRDSJXKRF-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE COC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1618903052 AHNCBZALWPEQQT-JGWKNBOWSA-N 443.508 1.034 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 1626967005 YWKGARQXRCXTEX-UHFFFAOYSA-N 436.203 1.513 30 10 IDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1629727062 NWAANSLXDWZMHD-INIZCTEOSA-N 449.577 1.548 30 10 IDEE Cc1[nH]nc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1I 1630585105 GVYATCSDIIWYDZ-VIFPVBQESA-N 437.245 1.335 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cccc(F)c2)CC1 1631365624 VGRWIONIZSVUKD-UHFFFAOYSA-N 430.505 1.993 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c(=O)nc1O 1631865993 FRVSNEYHEUUKQK-CYBMUJFWSA-N 447.293 1.161 30 10 IDEE Cn1cnc(-c2nnc3n2CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C3)c1 1632305921 BRYGTAAFXVXMFU-UHFFFAOYSA-N 439.520 1.671 30 10 IDEE Cc1ccc(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1640587080 ZUUIAIIAGFTDGA-UHFFFAOYSA-N 439.325 1.462 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(I)ccc1N1CCOCC1 1641520743 FOIPBSSPNOLGHE-ZDUSSCGKSA-N 445.257 1.238 30 10 IDEE C#C[C@H](CO)NC(=O)c1cc(I)cc(I)c1 1641574453 MLAXFEIUVKDONC-SNVBAGLBSA-N 441.006 1.620 30 10 IDEE C=CCn1cc(C(=O)N(CC)[C@@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 1645523431 XLWJARFMDNBUDV-INIZCTEOSA-N 434.541 1.784 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)c1cc[nH]n1 1648937251 BEYLHNXKRUFVOI-SFHVURJKSA-N 427.505 1.864 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(n3cnc4ccccc4c3=O)CC2)CC1 1655912980 FTTOEVWVQAJSEU-QFIPXVFZSA-N 436.560 1.726 30 10 IDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H]2CCCC[C@@H]12 1659334348 RGFRVIMBPKSSLV-YQVWRLOYSA-N 429.521 1.557 30 10 IDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1682492570 AAXMXTXVQXHKQX-SFHVURJKSA-N 444.536 1.811 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1689881239 KOEXYPWKAUDXON-KRWDZBQOSA-N 433.520 1.781 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689935322 CRVSVGHSOBDWCQ-IBGZPJMESA-N 426.542 1.940 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC 1690026461 AJQMQGKJEAKZFP-UHFFFAOYSA-N 443.573 1.777 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690110541 PXQKSTOEGNPVGX-INIZCTEOSA-N 428.503 1.594 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1690120149 JBYUQCFAUQDMOX-GOSISDBHSA-N 435.532 1.910 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690298433 XSWQYNVAPKUMDU-AUSIDOKSSA-N 448.612 1.932 30 10 IDEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1690345805 DDARUJYUVXMXSM-OAHLLOKOSA-N 427.914 1.529 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690452174 YNTLIPOKJWBVIR-UHFFFAOYSA-N 447.565 1.753 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1691009453 ZPADUDGDGHGKCP-AWEZNQCLSA-N 441.927 1.935 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC(F)F 1692535898 FMNURHKEGKKAJZ-UHFFFAOYSA-N 448.478 1.639 30 10 IDEE CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694726420 YBFJXVUVIDKPEK-WUKNDPDISA-N 441.458 1.441 30 10 IDEE CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1695159816 ORXKICBZJFMLBZ-YGKKUGEXSA-N 430.509 1.661 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1696913000 BWRPBROJWFNDFN-GPMSIDNRSA-N 426.521 1.972 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1697189993 IXUFZRXIRRULGO-UONOGXRCSA-N 426.468 1.798 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1697934752 GNSCEIZBLKZTJX-JTSKRJEESA-N 442.520 1.218 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698486717 QDBBNTAESWKYRY-IGCQWYOMSA-N 436.451 1.232 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705515600 IGJRAPLMTOURIS-RBUKOAKNSA-N 441.580 1.166 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705522414 DYXRYMCZNDEIDL-UHFFFAOYSA-N 427.509 1.525 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1705524920 VDGIMVRHJQTDKF-OAHLLOKOSA-N 431.566 1.325 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1705540885 QJBDXTBYXMCBQR-UHFFFAOYSA-N 440.895 1.084 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)C(C)(C)C 1705550313 GDOIJJPJBGNAEB-GDLZYMKVSA-N 436.607 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nc(C)cs2)CC1 1705639049 DWJPIQAZTKJYQM-WBVHZDCISA-N 448.618 1.504 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1705672112 LDGGSCCRRVKYHX-HSZRJFAPSA-N 433.516 1.662 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSC[C@H]1C 1705901806 XCRPFIVTDRTMGT-CYBMUJFWSA-N 425.518 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCCNC2=O)CC1 1705902010 CNENKCDZLUBZAO-UHFFFAOYSA-N 427.509 1.533 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705912453 KOYGIUFSMPIUOK-HXUWFJFHSA-N 434.500 1.904 30 10 IDEE CC(C)SCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1706714837 BAXZLKIBUIEVBH-WMLDXEAASA-N 446.574 1.195 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1706748232 HCPVKTRHCZBTRZ-AWEZNQCLSA-N 436.476 1.191 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCO[C@@H]1CCOC1 1709141942 KVPVQLQUOWSSJO-DLBZAZTESA-N 426.525 1.413 30 10 IDEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1712171369 ICJNMMPXWVMYHE-HNNXBMFYSA-N 435.529 1.963 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1722316778 MKEIKBLNBCNQHE-HXUWFJFHSA-N 449.621 1.532 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCOCC1 1722391932 YWCNCQALRCNPBO-REWPJTCUSA-N 429.565 1.361 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCn2ccnn2)CC1 1722431456 PIAMHRZPWVMJBE-GOSISDBHSA-N 438.511 1.994 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnc(C)s2)CC1 1722448677 XDHCALHDSAXELI-QGZVFWFLSA-N 428.562 1.951 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722508062 KEEMQMLCPCQXRE-ZIVNCQHPSA-N 434.537 1.861 30 10 IDEE C=CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1722651469 LOUOJIQOJADVKH-NRFANRHFSA-N 432.546 1.870 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2C)C1 1722692516 PBFVGSQLCAPPSA-IBGZPJMESA-N 438.532 1.703 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1722697234 HPMUGXPRCTULMN-UHFFFAOYSA-N 445.487 1.713 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1729669238 FXYKHZXASSWUEX-PMERELPUSA-N 426.546 1.690 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1740652999 VSMROPBHDRLEGA-UHFFFAOYSA-N 445.527 1.571 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCN(CC)C2)CC1 1740700529 VIWGWSGBAWMWJS-HXUWFJFHSA-N 438.576 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccco2)CC1 1740705278 FGXAENDFINCHQZ-JPYJTQIMSA-N 441.532 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)C(C)C)CC1 1740708365 NAZZSDSIZGWGCQ-QHCPKHFHSA-N 441.580 1.513 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1740710292 VUXJQSWYLIBFFX-INIZCTEOSA-N 426.546 1.825 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740713964 UFJGRSPVHVZVLT-AWEZNQCLSA-N 425.967 1.983 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740718535 PZBLXVAVEOUKOU-JKSUJKDBSA-N 427.596 1.057 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(=O)NC)C1 1740963552 OFHSYVLTSNTHKR-SFHVURJKSA-N 435.532 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC=C(C(F)(F)F)CC1 1740985917 NNYMBCNHBWSXML-UHFFFAOYSA-N 435.472 1.716 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1741002736 LPKMHHIXSDNTRM-SJORKVTESA-N 441.623 1.767 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743758810 ZXRLGIATXMEJRO-NXHAUGRDSA-N 427.509 1.129 30 10 IDEE CC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1744904854 IOSCEUSAMNDJEJ-UHHPSXQGSA-N 427.509 1.419 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746458663 DMTCLYSZLGPHPT-FPOVZHCZSA-N 438.580 1.266 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CCO1 1748205861 AHVOVXMXJBBNCW-UYAOXDASSA-N 449.515 1.664 30 10 IDEE CNC(=O)CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1748237494 HWPFXRCYTKEOTI-JXFKEZNVSA-N 442.520 1.868 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(CCN(C)C)CC1 1748690196 OPIHAWBZWIIXBZ-GIVPXCGWSA-N 432.613 1.734 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCCN2C2CC2)CC1 1748978155 NLBBTAFGEZRWRM-PZJWPPBQSA-N 430.597 1.774 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749237455 NXLQFSKKDCKCBM-NEYJZJCJSA-N 435.525 1.099 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@H](C(N)=O)C1 1749659176 WSYZUEJWBPGOSY-KBPBESRZSA-N 428.562 1.745 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1749679867 CGCUXUYOLDTTMQ-UHFFFAOYSA-N 444.511 1.603 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C(C)(C)C1 1749735714 VDOLTTBPZGDTTE-JKSUJKDBSA-N 444.623 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CO)CC1 1749736491 KGFGCNNOTVUQQG-UHFFFAOYSA-N 440.516 1.957 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)F 1750390631 UNYOLBVDKZXJQL-UHFFFAOYSA-N 435.435 1.517 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1750485054 IAIOJPWQANONDD-KRWDZBQOSA-N 444.561 1.745 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1750518110 MUIJMKLTXBWZBV-AWEZNQCLSA-N 438.941 1.936 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCCO 1751987796 XYHOWHQCFNWVAA-KRWDZBQOSA-N 426.521 1.948 30 10 IDEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(S(C)(=O)=O)CC1 1760148186 RLRJZQKISHKOTR-UHFFFAOYSA-N 439.545 1.830 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1760182415 FOVMZRXHOBBMBF-LJQANCHMSA-N 439.545 1.426 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1760190212 YTOKSSBCSXAUNV-KFWWJZLASA-N 448.574 1.116 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOC(F)F)CC1 1760265182 QVBYLTVBMIDETC-UHFFFAOYSA-N 426.468 1.011 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(N(C)C)CCSC2)CC1 1760273136 JLACHHSDPXYWNE-XMSQKQJNSA-N 446.621 1.533 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760278972 MXUGVBTUVWRSFF-UHFFFAOYSA-N 441.561 1.281 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1760327578 IZKGPIIRQREWRT-SPEDKVCISA-N 448.568 1.373 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760346311 RTKXAVDYIGDUIL-CHWSQXEVSA-N 435.472 1.261 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@H]1C 1760464466 IBRYKVMWJSFPHK-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760520032 AJHDEFILTOTILC-UHFFFAOYSA-N 426.525 1.226 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCOCC2)C1 1760547981 VOOBUFXLPRVJSM-FYQPLNBISA-N 435.569 1.504 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCCO1 1763177586 DSYSBHGMOHXUDL-MRXNPFEDSA-N 433.534 1.779 30 10 IDEE CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1764331602 CXBLQBDKXQCKJK-UDJKBAMHSA-N 427.509 1.382 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1770335862 AWOYARZUQZUNHG-QRVBRYPASA-N 429.546 1.960 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1771564715 RNAXZBYTQDWYKU-YZGLPLCXSA-N 426.399 1.449 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1772564619 GBZJYAOYXNKJJY-GOSISDBHSA-N 434.566 1.348 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCC(C#N)CC3)C2)cc1 1850279022 RTPMCIRJYQCSKX-GOSISDBHSA-N 434.562 1.448 30 10 IDEE CN1C(=O)C[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)[C@H]1c1cccs1 1851895304 UJRINCYIHFUKPJ-PXNSSMCTSA-N 439.541 1.900 30 10 IDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCN(C)C1=O 1852959274 BTEUVJBNSLQHPT-DOMZBBRYSA-N 444.351 1.361 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(Oc4ccsn4)CC3)C2=O)CC1=O 1854851054 PAMVWPOQFAPYRC-RDJZCZTQSA-N 432.546 1.538 30 10 IDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1855312193 NVVRFMJORYMWPU-DOTOQJQBSA-N 431.514 1.411 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1 1857155845 YCAKAFVYTRRDLH-SFHVURJKSA-N 432.546 1.322 30 10 IDEE N#Cc1ccc(NC(=O)CCc2nnc(NS(=O)(=O)c3cccs3)nc2O)cc1 1860854257 XKNDEEHGFKQQEL-UHFFFAOYSA-N 430.471 1.882 30 10 IDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccc[nH]3)CC2=O)cc1 1874199704 UZMVKAPCVIVYBK-FBRGJASNSA-N 439.501 1.595 30 10 IDEE COc1cccc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1O 1874295207 PBWCNYUFNXGUEZ-UFFVCSGVSA-N 442.457 1.951 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](O)C1 2022856643 CLDWEHUWTLQGBR-HRCADAONSA-N 438.525 1.576 30 10 IDEE N#Cc1c(I)ccc(I)c1[C@@H](O)C(=O)O 2060281575 PQXSOIDLVGWJKI-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCO)cs1 2121170276 QVDDNWKKJXKEQC-CQSZACIVSA-N 432.523 1.759 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#CCN)s1 2164488398 WKUVQSQHCGMYFA-HXUWFJFHSA-N 449.529 1.502 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255622708 DELGUUSUWMVRBI-CYBMUJFWSA-N 436.318 1.308 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626463 GKMGTWVTFJQIPL-WDEREUQCSA-N 430.236 1.381 30 10 IDEE Cn1nc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843107 BMDOAAPBIZRLSV-UHFFFAOYSA-N 432.330 1.412 30 10 IDEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267118087 WZAYSOFAYVEBLR-ZDUSSCGKSA-N 449.361 1.442 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2267159755 LKRJPYJVNRCCFO-OWCLPIDISA-N 444.341 1.904 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)nc2)OC1(C)C 2267174786 WUJJTCRSOBRTTL-LBPRGKRZSA-N 442.247 1.307 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267499495 USSKIERMQGIQRB-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE Cn1ncc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2267507213 KFIBVEXHYAVAOH-QHCPKHFHSA-N 440.353 1.086 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2267527083 BFKCFEUQZNANGJ-KBPBESRZSA-N 446.357 1.797 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268717235 XNSXNPNRGXQZMR-INIZCTEOSA-N 446.353 1.961 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 2337197404 WQUUKGIENLKZSX-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)cc2C1=O 29362005 DKDJWECVQYZPSG-KRWDZBQOSA-N 438.528 1.627 30 10 IDEE COc1ccc(S(=O)(=O)N2C[C@@H]3CN(C(=O)c4ccc(C#N)cc4)C[C@H](C2)O3)cc1 65225116 CDAQBIPWNPQJDR-KDURUIRLSA-N 427.482 1.481 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)c(C)n1 102748632 JOCNCCPTYKZILA-LYHOESIGSA-N 428.514 1.909 30 10 IDEE CC(=O)OC[C@@H]1O[C@H](n2cnc(C#N)c2C#C[Si](C)(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O 253492122 OURBYMJWHWPAPA-HAGHYFMRSA-N 447.520 1.308 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)nnc1-c1ccco1 447757332 YILSFHPLHNQJRH-LJQANCHMSA-N 430.490 1.407 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 460812135 WQDQEBDCPOQSJK-LJQANCHMSA-N 447.561 1.758 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(Cl)c1 465484536 TZTWPKVDKQGCNA-GFCCVEGCSA-N 435.893 1.688 30 10 IDEE Cn1cc([C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C(F)(F)F)cn1 487750228 MGKNVRSPQWSGHR-ZBFHGGJFSA-N 434.378 1.917 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 500884752 GBSUTCZGVSXQNU-LXPRWKDFSA-N 435.550 1.757 30 10 IDEE C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)N1CCN(c2ccccc2)CC1 503152070 MGTBAPHHHRHUDO-FQEVSTJZSA-N 433.560 1.996 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 508496417 DKBKZRIRQVNRPH-QZTJIDSGSA-N 433.534 1.375 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccccc2C#N)c1=O 515662788 ZYLKNSQIMIXTDV-UHFFFAOYSA-N 444.520 1.066 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@H]2C)CC1 516388782 PIMVNKUTEDJDID-CVEARBPZSA-N 444.532 1.358 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CC1 523951629 HOOCZZRPCWROHW-UHFFFAOYSA-N 445.458 1.775 30 10 IDEE CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)[C@H]2C1 537243199 NVTDUTDWUGAYBX-MLNNCEHLSA-N 430.524 1.803 30 10 IDEE Cn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542220077 NLPJLCZJSGQBFJ-UHFFFAOYSA-N 433.518 1.836 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H]3CCCO3)CC2)nc1 555401532 XRSKWUINDFHLPI-GOSISDBHSA-N 436.520 1.286 30 10 IDEE CCNC(=O)C[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 556517461 CEYBSZQCBOOXQE-NHCUHLMSSA-N 429.540 1.915 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCOC3)CC2)n1 559213225 HRSLUMLWNVUVSF-SFHVURJKSA-N 446.515 1.978 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)c1C#N 579300390 DJAJJKNKBWEKLJ-QGZVFWFLSA-N 433.582 1.098 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 582075191 NBIBRUPYYMQEBE-QZTJIDSGSA-N 439.582 1.440 30 10 IDEE N#Cc1cc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl 609495072 NJAVILFQYFXIOG-UHFFFAOYSA-N 432.933 1.834 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C[C@@H](C)O1 609669308 IHKPDVDSIZRZOE-BETUJISGSA-N 433.456 1.448 30 10 IDEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671666020 STFSVUXPGOLMGT-SFHVURJKSA-N 430.530 1.851 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)cn1 730143382 BAPDDYHQVZYXPE-MRXNPFEDSA-N 446.533 1.586 30 10 IDEE CCOc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 743731231 MOKLDZNQKCXLKU-UHFFFAOYSA-N 440.488 1.905 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NCc2ccc(OC)c(C#N)c2)c1 746775649 MGDIIMHCLCVNMR-UHFFFAOYSA-N 437.460 1.901 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCSC)c2=O)cn1 751824799 HRDUJBHVIAJMOT-UHFFFAOYSA-N 431.587 1.005 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(C(N)=O)cn2C)c1 755200552 KQZQQQRIYHPJJW-NKFKGCMQSA-N 431.518 1.969 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 756096283 FOGMXRBDZGZMQE-HOTGVXAUSA-N 438.347 1.931 30 10 IDEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(=O)O 757201943 RCUDLBMIZXPYEQ-RTWAWAEBSA-N 436.464 1.869 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C(=O)C2CCCCC2)C1 760908983 NUGSEDMOUROVSH-INIZCTEOSA-N 432.546 1.413 30 10 IDEE Cc1nn(-c2ccncc2)cc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 783845593 KITMKXNYIAVQTD-UHFFFAOYSA-N 440.533 1.353 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nc(CS(C)(=O)=O)nc(Cl)c2CC)n1 788560529 VDWIJPMTYHIOTD-UHFFFAOYSA-N 425.942 1.720 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2c(C)nc3nc(SC)nn3c2C)n1 788820423 FTJTYLTUQBCIPH-UHFFFAOYSA-N 427.534 1.510 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N(CCO)Cc1ccc(Br)s1 792001921 BFLOHLQGGSTXIL-FOCLMDBBSA-N 428.308 1.748 30 10 IDEE C=CC[C@]1(C(=O)N2CCN(c3cnc(O)nc3N)CC2)CCCN1C(=O)OC(C)(C)C 797995244 QLJODJLVYKSYNT-OAQYLSRUSA-N 432.525 1.759 30 10 IDEE C[C@H](C#N)OCCOC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 801828181 WAZCVUDTPRTPRH-LLVKDONJSA-N 433.280 1.274 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 918986712 RSJBVCVWGBIMQY-ROUUACIJSA-N 435.502 1.205 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCS(=O)(=O)C[C@@H]3C3CCC3)C2=O)cc1 1130015788 MPOCZMXEUHEYSO-ZWKOTPCHSA-N 444.513 1.189 30 10 IDEE Cc1ccc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)cc1B1OC(C)(C)C(C)(C)O1 1156926642 URUWSFYZNAYOLI-UHFFFAOYSA-N 442.325 1.311 30 10 IDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1164624892 CELYLCDKZUYCNN-RHSMWYFYSA-N 437.518 1.232 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)C1 1194691540 RCWNPIYKJBKYMC-NSHDSACASA-N 433.299 1.751 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2)c(F)c1 1245969686 DSDDJSQBJXJUDS-HXUWFJFHSA-N 444.555 1.326 30 10 IDEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cc(F)c(Br)cc1F 1253230221 AJTOKHXTSACSKU-QMMMGPOBSA-N 442.220 1.922 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1286292340 HUWMBAXCFMEPMG-JSGCOSHPSA-N 436.563 1.036 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286393120 JONWXSNPURHQML-OALUTQOASA-N 429.546 1.316 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286435415 AJWDTJLXNZMTNJ-NRFANRHFSA-N 445.545 1.156 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2COCCO2)CC1 1286473021 NOHZSDYPHIPJTJ-INIZCTEOSA-N 449.353 1.217 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1286512263 UHIGHZMRZGEOKX-UHFFFAOYSA-N 429.594 1.811 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1286726795 IWZMIGCXTZJULI-VQIMIIECSA-N 447.561 1.800 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286787311 REXHTJSJEVOMFC-GOSISDBHSA-N 439.564 1.939 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286816381 IAUKEOJDJSHDIE-UHFFFAOYSA-N 446.577 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286822476 LDGFRZJBYMUYBA-SJORKVTESA-N 449.602 1.494 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1286825770 XJDUSGROJZUYSJ-UHFFFAOYSA-N 448.637 1.982 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCCCCC1 1288839605 CGAPVBXUUMARHN-PXNSSMCTSA-N 437.614 1.894 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccccc1C(F)(F)F)c1cc[nH]n1 1294790676 LZNSYKDCIZZQMV-AWEZNQCLSA-N 428.367 1.562 30 10 IDEE CCO[C@]1(c2nnc(N3CCCC3(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1296630843 MAIIMQHFHOIKSV-WLBHNISZSA-N 444.536 1.835 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H](CC#N)c2ccccc2)CC3)CC1 1297662298 IJWDRTWXSILAGQ-UYAOXDASSA-N 434.544 1.647 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1300485362 ZMXPMLREQFYGGP-GOSISDBHSA-N 446.492 1.956 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(N)=O)cc2)CC1 1300703738 RHMKQFHENBEDPX-UHFFFAOYSA-N 435.557 1.536 30 10 IDEE C#CCSCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1300778481 XCGVLIVOLQFRNL-NRFANRHFSA-N 445.593 1.357 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1300913347 VHIXHXUSDSWFIK-QGZVFWFLSA-N 432.550 1.522 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301438275 BIILPBMYRNZZIJ-FCHUYYIVSA-N 440.504 1.635 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(=O)N(C)C)CCCC2)C1 1301535996 QSTSPDKXOFBNGW-QGZVFWFLSA-N 432.569 1.846 30 10 IDEE COCCOCCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1302206717 QNMFBIFUELPTTH-UHFFFAOYSA-N 430.557 1.695 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(CS(C)(=O)=O)CC1 1302239914 CBWMMDCWMCNIMP-PMPSAXMXSA-N 425.555 1.565 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1302417951 CDCOACHVZMGDHA-SFHVURJKSA-N 438.532 1.995 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1306505015 HFRVWIZQQKTUBE-CVTQAYBASA-N 429.525 1.252 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)COC)CCN2C1=O 1313832214 FSOQXPOPCWDMCJ-YJBOKZPZSA-N 437.504 1.572 30 10 IDEE CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 1356086774 JXEOEQPMPDFCSD-INIZCTEOSA-N 430.571 1.846 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358939765 FGTWMKDZURHXMN-AUSIDOKSSA-N 446.596 1.331 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1358969222 JMJGPUXDXCOPLG-INIZCTEOSA-N 433.509 1.521 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CCCO2)CC1 1359040229 MOOWQEGNZGYBNT-QFIPXVFZSA-N 428.537 1.049 30 10 IDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)CC1 1359164962 DIQLNXJDQMPMPE-MRXNPFEDSA-N 434.541 1.831 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359318819 MYVPUUJAWQDBQI-WBVHZDCISA-N 425.493 1.418 30 10 IDEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1435542434 MWHYWGKNMKLKIB-QZTJIDSGSA-N 442.472 1.332 30 10 IDEE CCO[C@@H]1C[C@](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)(C(=O)OC)C1(C)C 1447830089 HILFUSMXVFPVRI-BEFAXECRSA-N 426.466 1.600 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CS1(=O)=O 1452960205 IEQNEXGTVZPIHH-RLVYFCSOSA-N 425.551 1.855 30 10 IDEE COC(=O)C1(C#N)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 1460109285 FGTJCMOERIRITN-IRXDYDNUSA-N 446.523 1.834 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1)C(=O)OC 1463852925 BDOGDMOBRKAZEL-AWEZNQCLSA-N 432.292 1.777 30 10 IDEE CCOC(=O)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1464037462 QYIGJYBCNRPQAN-FQEVSTJZSA-N 441.509 1.738 30 10 IDEE C#CCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1468613582 IQSVYPQMEWORAC-VHEBQXMUSA-N 445.520 1.557 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N(CCO)CCOCCO 1470601216 WAFWCFMXFPBULV-IBGZPJMESA-N 433.505 1.222 30 10 IDEE Cc1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 1470611208 XDGFMMDACLHUOS-UHFFFAOYSA-N 432.484 1.529 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H](O)c2ccc(C#N)cc2)C1 1471777369 MIDQZWWAXMQYLP-SJORKVTESA-N 437.518 1.132 30 10 IDEE O=C(NCCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1cc[nH]n1 1478291979 JDKXDICQTUBBMW-HTQZYQBOSA-N 449.302 1.952 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOC(C)(C)C)c2ccccc2c1=O 1503686597 RQDLHKYCTDLYGB-HNNXBMFYSA-N 437.504 1.736 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1504994083 IXENRKTUCPKSRQ-FUHWJXTLSA-N 447.584 1.483 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1507713657 RXWDIDLPBKLJBM-UHFFFAOYSA-N 444.499 1.145 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1507717157 ZGQFHAWTMXJLMT-ICSRJNTNSA-N 435.532 1.662 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1507738491 PUXMUMDLHHWCJC-UYAOXDASSA-N 439.564 1.706 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1507754211 VENQRLJCYKCVHG-QGZVFWFLSA-N 429.550 1.078 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507953138 CNFCATYINTXGAS-JXFKEZNVSA-N 434.566 1.632 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)[C@H]1CC 1508135773 LPTGMNNOXHOMQO-QGZVFWFLSA-N 428.518 1.132 30 10 IDEE C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)N1CCCCC1 1509980805 CGLKONYYUQTQAA-KZNAEPCWSA-N 436.582 1.173 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1510130605 BNNOAIFQLWZDGG-HNNXBMFYSA-N 435.550 1.759 30 10 IDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)n[nH]1 1511562585 BKYDVEJCGKUZAL-UHFFFAOYSA-N 428.522 1.357 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1512589031 YSIGDXKLCLUTBL-NJSLBKSFSA-N 448.321 1.976 30 10 IDEE CCN1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1515919435 WLJJLZMKPAHOEF-XOMICKMZSA-N 438.536 1.340 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1517325645 CKCDWJDTURFIEV-UHFFFAOYSA-N 439.564 1.307 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c(OC)c1 1518103330 AGNIMAQITFDDPC-BBRMVZONSA-N 441.492 1.546 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1518747762 MOGZIGVSHUYOQQ-RTBURBONSA-N 425.468 1.903 30 10 IDEE CN1CCn2nc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cc2S1(=O)=O 1520486669 MIFVTESHMDRJEX-UHFFFAOYSA-N 431.865 1.480 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1521082408 FWXXQMHJILKGIM-HNNXBMFYSA-N 447.421 1.306 30 10 IDEE Cc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1c(Cl)cccc1Cl 1537005643 KVEFVRCJHYFVKD-APPDUMDISA-N 440.312 1.893 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc2c(c1)OCO2 1539290718 LMDJTCJXXDPQCO-UHFFFAOYSA-N 435.484 1.785 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539524532 HOBWTDJCWVFEJD-SFHVURJKSA-N 447.630 1.900 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1539668046 RRQUOJBBLGFNHN-KRWDZBQOSA-N 432.550 1.610 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1540170266 MACBLJJVFBDDCF-RTBURBONSA-N 437.610 1.860 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1540869759 VUYAHNOZQSNXEL-IBGZPJMESA-N 448.531 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540897198 CTPUGLSFWYNKAO-SJORKVTESA-N 438.598 1.034 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540903941 HQRKYOBPIZYKIL-GOSISDBHSA-N 446.577 1.360 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1540907913 MHYLRIWTYUNHIH-OAHLLOKOSA-N 433.538 1.703 30 10 IDEE CC(C)c1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)n1 1541314922 GTTUHGDLHXXNOP-SJKOYZFVSA-N 441.558 1.958 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1541720468 CRXPTMJTRPJFFG-FGZHOGPDSA-N 432.569 1.515 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCO[C@@H](C)C1 1548169111 CICMGMKECNZRFH-FUHWJXTLSA-N 442.568 1.870 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccccn1 1548169327 FNUBAFUWZIHMIE-UHFFFAOYSA-N 435.536 1.693 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnc(O)nc2N)CC1 1567670738 CUOGAMVSQDDWHI-LBPRGKRZSA-N 426.905 1.449 30 10 IDEE C=CCn1cc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)nn1 1570505734 REQZBNWYXAQJOV-UHFFFAOYSA-N 428.312 1.211 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)cc1 1570635362 NCOCIXNAGRPLNZ-IBGZPJMESA-N 440.525 1.657 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1588035577 VKZJWMOTGVVYJI-SJORKVTESA-N 425.555 1.374 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1(=O)=O 1588251180 NHEVHKAGPVOFJA-IBGZPJMESA-N 428.562 1.570 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(OC)CCOC2)CC1 1588763400 XJGNUEMLAUPJFW-LJQANCHMSA-N 449.353 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC=CCO2)CC1 1588890562 BXVMGTRSUXGLDV-WMZHIEFXSA-N 443.548 1.241 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1589089396 RKXMLGBZILBNME-FQEVSTJZSA-N 426.590 1.931 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595477630 WUJSBBFOSOBEEO-XKQJLSEDSA-N 445.451 1.974 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1595613676 GUBCTGLXUJISIA-WMZOPIPTSA-N 445.545 1.466 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1OCC(F)F 1608399859 GYLHXCSZVCIUGY-LJQANCHMSA-N 437.426 1.945 30 10 IDEE CC1(C)CCO[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1611791150 XDHOWQLCRMEFHK-FUHWJXTLSA-N 445.545 1.892 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCOC)CCOC1 1616213230 HRZQZXIEMMIEBT-NRFANRHFSA-N 428.493 1.502 30 10 IDEE COC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1618862870 OXUAWZTXTNWGPW-MSUUIHNZSA-N 430.509 1.491 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2N2CCOCC2)c1 1627924240 XDUIMOSKNQKRPC-UHFFFAOYSA-N 429.542 1.960 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1635554088 FGMOVIGPSZLJIJ-ZDUSSCGKSA-N 441.472 1.723 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)Cc1noc(C)c1C#N)C2 1638288006 FGYSXIFFIRNNPD-HKZYLEAXSA-N 432.477 1.702 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)s1 1644882919 ZHMQAPQWGAEJFO-AWEZNQCLSA-N 438.531 1.615 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)c4nccnc4c3)C2)c(=O)nc1O 1648028605 HGHKFQQKKQJMBS-UHFFFAOYSA-N 427.218 1.223 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1648308649 HXPZDOGDMGAERM-JXFKEZNVSA-N 427.567 1.567 30 10 IDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCOCC1 1648336489 LLZMYGTYXVVELY-UHFFFAOYSA-N 427.480 1.928 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)s1 1652988223 NQZLWLZPXQRUHP-LBPRGKRZSA-N 448.526 1.374 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 1653922131 KKEZFYSHFGCFLJ-HNNXBMFYSA-N 428.514 1.917 30 10 IDEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H](CCCC#N)c1ccccc1)C2 1681503870 MTOCVNACUDDCST-QGZVFWFLSA-N 425.493 1.093 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCOc3c2ccc(Cl)c3Cl)CC1 1686385607 PFGIHRPWQGZWEU-AWEZNQCLSA-N 447.344 1.612 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1689937366 XVGNIDGUENQTEO-ZWKOTPCHSA-N 442.589 1.840 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689982507 PBSIKROIXRXUEE-QGPMSJSTSA-N 448.570 1.556 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1689986323 NHNJDMXTWKMSPY-QGZVFWFLSA-N 436.559 1.007 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1690098814 WFZAHOPKEVDODP-UHFFFAOYSA-N 432.546 1.279 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690124721 SDPTXTZIZDBAMX-GOSISDBHSA-N 435.594 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cccn2)CC1 1690146060 DVTRVMGCBGJBOF-LJQANCHMSA-N 425.537 1.425 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1690175180 RBLMWDUQNSJHFS-INIZCTEOSA-N 429.612 1.460 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2CCOC[C@@H]2C1 1690219460 FOVIZUSJANJBCA-CABCVRRESA-N 430.347 1.432 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1690672121 IIBRUANYRSBJFD-UHFFFAOYSA-N 442.568 1.603 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 1690731351 JBNPHOQUUVHFJD-QGZVFWFLSA-N 433.534 1.466 30 10 IDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)cnn1C 1692944315 GSUUWCRTLAFGHS-OAHLLOKOSA-N 434.504 1.486 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1695962665 CXOHEIZILUHBNC-UHFFFAOYSA-N 428.493 1.494 30 10 IDEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCC1 1698365240 CRBFUFURRSMMAI-LSDHHAIUSA-N 442.611 1.493 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1705562381 BECHXXTYWAYFDA-KRWDZBQOSA-N 435.550 1.051 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705563616 AXLULNIULQPVOA-LJQANCHMSA-N 438.557 1.970 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCC1=O 1705603606 RMZBIOVJENRJBV-FPOVZHCZSA-N 427.549 1.868 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705637518 ARVFLTYQDXJWGW-BGYRXZFFSA-N 439.608 1.927 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 1705700796 YQQCMLYMFKPVKC-UAGQMJEPSA-N 425.555 1.191 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705744700 MEQPWXYJPCPYHK-QAPCUYQASA-N 449.987 1.255 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1705853848 GGZTYVHBUANSBW-KRWDZBQOSA-N 436.626 1.361 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1705869590 ZIPUQYLWHWAHTC-INIZCTEOSA-N 430.534 1.929 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1705880212 YLGVEHTWNNJVBD-JXFKEZNVSA-N 436.534 1.160 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCOC[C@H](C2CCC2)C1 1705928887 WRUBKVRUAPSEQL-QGZVFWFLSA-N 439.582 1.270 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1710875240 PYGPKZODKZVIDV-CVEARBPZSA-N 431.474 1.366 30 10 IDEE N#Cc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1712880879 IMSCVYLQNBVFIE-UHFFFAOYSA-N 426.502 1.914 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCOC1 1722374961 ILJOKZMUKXDYMU-FQEVSTJZSA-N 445.317 1.940 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1722461464 GHGZBHCLFLVEBX-LJQANCHMSA-N 427.574 1.787 30 10 IDEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1722597750 QQTBFGDLNBSWEA-QGZVFWFLSA-N 446.577 1.863 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CS(C)(=O)=O)c1 1722631076 BZRCWYWAGLINBV-CQSZACIVSA-N 441.579 1.103 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1722693835 BKOQPNZFGSXDBF-UHFFFAOYSA-N 433.516 1.710 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1722697148 GJJYIAJLCJGEPM-IBGZPJMESA-N 438.580 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722726973 HMEMQAHRYNPDFI-INIZCTEOSA-N 434.566 1.617 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(C)(C)O)CCOC1 1723688823 FGIPDDRUXRJRHM-GCJKJVERSA-N 432.569 1.656 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1727096570 WIPLMHZULAGHSF-ZUOKHONESA-N 431.472 1.753 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1730949811 RVXGDDPUZDPDJH-IHFIDZABSA-N 446.596 1.979 30 10 IDEE CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1731135213 WOVWIWJHQNJQBQ-UHFFFAOYSA-N 440.577 1.747 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1740627927 LJUJFDVPSWTVPD-NVXWUHKLSA-N 435.937 1.853 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1740640573 QDIZKFSRNBQVPV-GOSISDBHSA-N 433.578 1.510 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)nn2C)CC1 1740708632 WUNUYHMLEYOFRB-UHFFFAOYSA-N 449.563 1.196 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740839204 HKNMAYXULGCBQV-RBUKOAKNSA-N 435.594 1.841 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1740917807 FVPHIUYKYNAIDC-AVRDEDQJSA-N 443.573 1.851 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CCC)C1 1740953436 GHGYTNAKQRBOCR-QGZVFWFLSA-N 447.561 1.656 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC(C)(C)CN1CCOCC1 1740956001 KHKOUAWEAYSPCD-UHFFFAOYSA-N 429.569 1.380 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1740959980 IHLQSQJEMBQIHT-VAMGGRTRSA-N 445.612 1.079 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCNc1ccccn1 1741923076 YVSSJONVWXQKLU-MRXNPFEDSA-N 446.581 1.916 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1748638497 QFDCCJBTGNJKAJ-SJORKVTESA-N 434.504 1.784 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1748847280 QPNIMIAEZIMKEW-KRWDZBQOSA-N 430.505 1.861 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCOC1 1748949940 CKFZHBVNWCPGOY-KRWDZBQOSA-N 432.546 1.861 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](COC)OC)CC1 1748989265 JRHYCNIXUMZRBW-FXAWDEMLSA-N 427.505 1.207 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN(C)CCOC)CC1 1749006434 NMBHJEKTUWWKOI-UHFFFAOYSA-N 428.537 1.391 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(Cl)cn2)CC1 1749009485 JOQHIHXJVXLPNG-QGZVFWFLSA-N 445.955 1.688 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1749658849 WQYJUCNZHVWBAC-UHFFFAOYSA-N 437.548 1.804 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760189639 KJGNKOOZQSLDPS-XLIONFOSSA-N 437.635 1.295 30 10 IDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760192852 YNBGDDMOJQAIGZ-GOSISDBHSA-N 446.573 1.817 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(C(C)=O)C1 1760222738 WVJVBFIEBMHMBJ-ACRUOGEOSA-N 427.549 1.724 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(=O)Nc2c(C)cccc2C)CC1 1760260455 SWPRVLMGMXTBMY-UHFFFAOYSA-N 430.516 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(N)=O)cc2)CC1 1760267994 JIDROIGVEHVMDE-UHFFFAOYSA-N 446.515 1.778 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1760349595 RBOUANUNYYPXHP-AVRDEDQJSA-N 432.569 1.249 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 1760452038 BXOLVINNENVYOL-UHFFFAOYSA-N 426.525 1.110 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760556880 SPBKVTSPRDVIJM-DYESRHJHSA-N 447.561 1.249 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC(F)F 1761234434 PBKZCZNHYHIDEZ-UHFFFAOYSA-N 448.478 1.639 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1765888691 DFKMCAFYRWWMNZ-FGZHOGPDSA-N 446.552 1.309 30 10 IDEE CCCN(CC)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1765990621 FWLQZBGYNHBADP-UHFFFAOYSA-N 446.577 1.695 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1771198530 JQNDRNWPBRTDDZ-OXJNMPFZSA-N 439.582 1.957 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)NC(=O)OC(C)(C)C 1771497913 JTCWTQQBBLWFHS-CQSZACIVSA-N 425.493 1.666 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)ON3C(=O)c4ccccc4C3=O)CC2)cc1 1772789642 CMVSLPZSUHZXRP-UHFFFAOYSA-N 439.449 1.713 30 10 IDEE CC(C)[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772793264 WMICDOPHSSNQOL-MRXNPFEDSA-N 427.438 1.504 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)nc1 1851513868 RNODJROOGQACIR-SFHVURJKSA-N 437.475 1.811 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C(=O)[C@@H]1C 1854314305 WZNUGIHWNJAPFP-DLBZAZTESA-N 435.546 1.341 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C1=O 1854609355 VVJZBTNYVSKVLA-UXHICEINSA-N 431.558 1.950 30 10 IDEE C[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856118970 XSUHOVAKHJVGEP-HNNXBMFYSA-N 429.498 1.910 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(OC)(C(F)(F)F)CC3)CC2=O)CC1=O 1856960810 ZSWGOTHJCMNXJR-GJZGRUSLSA-N 431.455 1.439 30 10 IDEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCNS(C)(=O)=O 1860941262 ZIVGZHOQOJSLFN-ROUUACIJSA-N 433.615 1.535 30 10 IDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 1861294338 HVTNTAMMEXCAOD-QGZVFWFLSA-N 430.892 1.216 30 10 IDEE C=CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)CCO 1870324677 UZHMRYPIZLETNC-UHFFFAOYSA-N 442.541 1.898 30 10 IDEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706438 CRFFEHYFQNXIPV-UHFFFAOYSA-N 428.497 1.504 30 10 IDEE COc1ccccc1-c1ccc(N2CCC(C(=O)NCC#CCN3CCOCC3)CC2)nn1 1889367999 ZNHONNCIOSXYJU-UHFFFAOYSA-N 449.555 1.820 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889657961 CVDXICMKQABHTJ-UHFFFAOYSA-N 435.590 1.506 30 10 IDEE C#CCO[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)OC)cc2)C1 1892164328 IHNRGLJRCRQEDR-IEBWSBKVSA-N 449.529 1.659 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2025613720 YHSSMTRPAJIWBA-AWEZNQCLSA-N 425.335 1.696 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107454945 BJRUGUVIQRMNKC-IWIIMEHWSA-N 432.149 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124531185 BVGNYCQGCYYCDE-NRFANRHFSA-N 448.329 1.334 30 10 IDEE C[C@@H](CNC(=O)C#CCNC(=O)OC(C)(C)C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212226265 OAXCWYXVDSVOSM-YCRPNKLZSA-N 425.526 1.639 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2213501376 XKFPNSVIPXSUFH-JJXSEGSLSA-N 443.541 1.303 30 10 IDEE COc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(C#CCO)c1 2237313659 QRSHPLZBJFZCTF-UHFFFAOYSA-N 428.466 1.467 30 10 IDEE C[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248405153 PFQYDTXBZCUOFZ-YPMHNXCESA-N 441.359 1.505 30 10 IDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248439667 KUQOHPMAQHWDRI-LBPRGKRZSA-N 440.375 1.836 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)n1 2255636083 PMBOIFRKDFXYAM-CYBMUJFWSA-N 436.318 1.483 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699744 ROHLRQJZYARJAP-KRWDZBQOSA-N 427.310 1.426 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255825372 XYARBONBKZQFBS-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266996632 PYZCWJBJUKJGPH-YOEHRIQHSA-N 447.341 1.650 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCN(Cc2ccccc2)CC1 2267112568 ISVHLJJPBCBIGE-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1NC(=O)OC(C)(C)C 2267265906 LSTWKUQHUKLLBS-UONOGXRCSA-N 449.361 1.490 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267548509 SEVRMCMJAMESLA-ZIAGYGMSSA-N 449.361 1.538 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267606321 WEWMEJZNXHBFIM-AWEZNQCLSA-N 449.361 1.443 30 10 IDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1OC 2326740215 PVRNIMKSNWGPPD-UHFFFAOYSA-N 443.485 1.757 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2327380973 YSUKTCDPUVVSPY-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2329056003 QEZIFHHKTSPQGF-ZDUSSCGKSA-N 434.478 1.583 30 10 IDEE C[C@@H]1C(=NO)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1C 2344455675 WKSFGDGVGSBZHS-XEKQOVJPSA-N 425.482 1.901 30 10 IDEE CS(=O)(=O)C1(C#C[C@]2(OCCC(=O)O)CCN(C(=O)OCc3ccccc3)C2)CC1 2367795673 FZTPIIKLVUQZSA-FQEVSTJZSA-N 435.498 1.840 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)c1 20423901 IHOVWELLEUHFOV-UFWORHAWSA-N 427.494 1.982 30 10 IDEE CC(=O)Nc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc(O)c2)n1N 20915529 XUCKBKYQTZCWOD-UFFVCSGVSA-N 440.489 1.833 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCC[C@H](C(=O)OCC)C3)cc2C1=O 22067480 MPISOPUXUWMKMK-ZBFHGGJFSA-N 442.468 1.816 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 109361830 MZTWVVAHDSAPJI-HSZRJFAPSA-N 444.491 1.541 30 10 IDEE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 248109905 NGGSJNNRRNCMIQ-KGYLXKDPSA-N 433.420 1.615 30 10 IDEE CC(=N/N=c1\[nH]c2c(c(=O)n(C)c(=O)n2C)n1C/C=C(/C)Cl)c1ccc([N+](=O)[O-])cc1 254464085 XTGAXYHCCSTMOW-VXWGUKNZSA-N 445.867 1.743 30 10 IDEE COc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)ccc1C#N 427154802 YZYZRJMPTSPXNK-WMZOPIPTSA-N 449.916 1.661 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2OCC(F)(F)F)c(=O)n1C1CC1 461357506 CXVHGJAQOJFRBK-UHFFFAOYSA-N 449.454 1.967 30 10 IDEE COCCNC(=O)Cn1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1 476088299 FQWBSWHSINLDTA-UHFFFAOYSA-N 426.477 1.593 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 480118267 PPSCGQLJDCEZQS-KBXCAEBGSA-N 444.538 1.765 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486489322 SFRRCDGJWVGASN-IIBYNOLFSA-N 444.495 1.757 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CC1 492336146 MSDBOGYPIRDCPN-UHFFFAOYSA-N 428.924 1.858 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN([C@@H](C)C(=O)Nc4ccccc4C#N)CC3)C2=O)n(C)n1 506576439 JPQLVFDUUVPVJS-RXVVDRJESA-N 449.559 1.740 30 10 IDEE CCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 507746043 CCXSTWJGNCTOPJ-IBGZPJMESA-N 429.565 1.816 30 10 IDEE N#Cc1ccc(OC2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)cc1 507788166 KIORLNWCSXFZBN-UHFFFAOYSA-N 440.525 1.638 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2coc(C3CCOCC3)n2)CC1 509031741 UDURWRGGZRHBLC-UHFFFAOYSA-N 430.486 1.587 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccon1 531938520 DDIFBUOSFSNDDV-UHFFFAOYSA-N 436.449 1.727 30 10 IDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1OC 537838896 ZXULWYRPUWQOEM-UHFFFAOYSA-N 446.485 1.268 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 558964336 GFHHRKMIELMALP-UAGQMJEPSA-N 425.555 1.191 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)c1 604000844 DOKVMRNBKGQMSD-UHFFFAOYSA-N 444.516 1.807 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1F 609220448 KSQKNYCNMYCJNR-INIZCTEOSA-N 429.517 1.564 30 10 IDEE C=CCOCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 611555842 KOYXHFSATLYPFV-OAHLLOKOSA-N 425.507 1.584 30 10 IDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 612196853 LLJXLSWKVCOPOU-UHFFFAOYSA-N 445.544 1.628 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619741482 JJJBGIQFNUXHGJ-AVRDEDQJSA-N 449.559 1.904 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCO)s1 707379684 SSIYNZPHEHVYHX-UHFFFAOYSA-N 433.511 1.551 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2Br)CC1 728590231 XXCFTSJZVQEWBY-NTUHNPAUSA-N 426.336 1.117 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1 730141474 KIMLLQTWBASXPB-QGZVFWFLSA-N 433.578 1.519 30 10 IDEE COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1 730563675 AWCZKUOVDGEPEV-UHFFFAOYSA-N 428.473 1.823 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 732465066 DHHUAIMZQUVMRI-XUZQSEFNSA-N 446.813 1.916 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)c3cccc(Cl)c3)C2=O)cc1 733853047 CTIJRMBSMIGTGL-MRXNPFEDSA-N 446.872 1.922 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccccc2OC)c2nccn2C)CC1 734265256 HQKZCNPIQMGCCY-FQEVSTJZSA-N 426.521 1.148 30 10 IDEE COC(=O)c1c(Br)ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1C 753829342 QPBVJAVUHLNKOH-CYBMUJFWSA-N 449.305 1.681 30 10 IDEE O=C(O)C#CCNC(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757488199 YSJIMGLEOJGPJZ-IRLDBZIGSA-N 434.448 1.887 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccccc3C#N)c2=O)c1 763460768 OIHYFBARAIQINI-UHFFFAOYSA-N 443.532 1.671 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1C 771541211 WACXCQLCSZCDGW-MRXNPFEDSA-N 427.534 1.670 30 10 IDEE C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C)c1cccs1 771543769 MWKLSLRLNUVGCJ-OLADWPJFSA-N 433.563 1.544 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccc(F)cc3)c2=O)cn1 772274724 GLGDAKNXKPODHK-UHFFFAOYSA-N 437.500 1.610 30 10 IDEE Cn1[nH]c([C@H]2CCCN2C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nc1=N 773387811 MJGAHUMXDHCKMX-OAHLLOKOSA-N 445.549 1.190 30 10 IDEE C#CCN(C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 774211926 VXDOADZYJXMCIZ-NVXWUHKLSA-N 437.537 1.680 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]2C1(C)C 782393773 RUIUFDFLCRQAGQ-QDUSTFBWSA-N 439.509 1.640 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)cc1 782701935 XSFFZYITNHPQLN-OAHLLOKOSA-N 430.482 1.843 30 10 IDEE CC(C)CN(CC(F)(F)F)C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795327070 CVFGIUGOCDGHKJ-UHFFFAOYSA-N 435.424 1.427 30 10 IDEE COc1cc(NC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)cc(OC)c1 1084404826 GEOUASUEAASKRI-UHFFFAOYSA-N 442.505 1.971 30 10 IDEE C#Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 1134708585 DJKNVNBRNVLPDE-UHFFFAOYSA-N 429.473 1.912 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 1137204888 PNDUGBYRMBGPQK-IRXDYDNUSA-N 429.583 1.261 30 10 IDEE C#CCN(CC(=O)N1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1)C(=O)OC(C)(C)C 1141677387 RZBZUKJAUAMZSE-KRWDZBQOSA-N 430.505 1.681 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 1150368155 RORSVKGEHCBMJA-LAUBAEHRSA-N 445.516 1.736 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1286431549 PHPBNLNLHNGWBX-PMACEKPBSA-N 431.606 1.765 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1286470323 TUPGLUMXGCCPDP-ZACQAIPSSA-N 446.552 1.413 30 10 IDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286769599 CTNIBOLADGYVBQ-JOCHJYFZSA-N 440.504 1.963 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286832173 IMGBSLNNRJJZIK-MRXNPFEDSA-N 429.612 1.563 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1297716990 DEKMSNKHHUQFEW-TXPKVOOTSA-N 425.555 1.567 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1300274528 XMLFIGWLWVNXPN-LNLFQRSKSA-N 432.594 1.958 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCS(=O)(=O)CC1 1300472489 BANRZRDIKQAUSA-UHFFFAOYSA-N 432.546 1.483 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300503786 FOYYRIPKKBWEQP-AEFFLSMTSA-N 449.552 1.573 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1300505128 XXQAEGULKZIVJB-DSKINZAPSA-N 436.578 1.647 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1300531485 BWSNOLZIVAQXSY-FQEVSTJZSA-N 430.512 1.473 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1300553259 ANAJRHOOEDRTMR-UHFFFAOYSA-N 447.543 1.257 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@]2(CCOC2)O1 1300675375 AUCSJHHPVRKTDS-LMVRJCEZSA-N 434.537 1.426 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1300686224 YKDSBAZCYUNAEX-NFBKMPQASA-N 430.597 1.417 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1300901305 XJZJARXGKPRUJV-INIZCTEOSA-N 426.587 1.693 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301036167 BGTOJTFIDYCOHQ-JKSUJKDBSA-N 435.960 1.115 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC(C)C 1301044192 GLKPKFNYBJJTRT-HNNXBMFYSA-N 435.978 1.472 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1301223283 QMCPQASQNDZYIX-QGZVFWFLSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNC(C)=O)CC1 1301492693 NGEFRFSIQTZMEY-UHFFFAOYSA-N 440.504 1.329 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1301502869 RDQJWHXKIJOCBT-PMACEKPBSA-N 431.629 1.774 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)cc1 1301525962 KYCFGZBDRKSDNW-KRWDZBQOSA-N 431.518 1.077 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C(=O)OC(C)(C)C)C1 1301555417 XBLGLOITXQQQOM-CVEARBPZSA-N 434.541 1.877 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1301952162 HTFREESVZBCLMT-YYAJDYIMSA-N 440.570 1.212 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@@H]1C2 1302563494 CLUANPLTCNFIPJ-WWMYMODYSA-N 431.514 1.417 30 10 IDEE CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1302659081 HACMHKOAGSLZJV-GOSISDBHSA-N 448.549 1.545 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCCO)C1 1302979927 VXIZVZNYJMMXJV-HXUWFJFHSA-N 425.472 1.915 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1303302299 HJRDNMAPEBBJEU-IBGZPJMESA-N 425.537 1.228 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCCOC1 1303808281 DDGGWPOANNPHDS-YJBOKZPZSA-N 432.550 1.823 30 10 IDEE C#Cc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)cc1 1304802522 QJNTXUORIXNAAW-JDQHYLEWSA-N 446.550 2.000 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@H]1C 1313873943 FIMFNZOXJRHCKX-IAGOWNOFSA-N 435.536 1.824 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315821144 LQRJQCBTNHHKDW-BRWVUGGUSA-N 444.515 1.533 30 10 IDEE C#CCN(C(=O)NCCNC(=O)c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1323415397 DYEOLSJTKQPABZ-ZDUSSCGKSA-N 431.436 1.267 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2cnnn2C)c1 1358902998 IMLKXPIBOITFQW-UHFFFAOYSA-N 441.499 1.497 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1358961130 SCMRJJZXQCNPBD-KRWDZBQOSA-N 444.561 1.206 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1358962405 PEQOECDCVKODOB-UXHICEINSA-N 444.557 1.339 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1358963685 MLDSFIRXPNRZCM-SFHVURJKSA-N 431.562 1.945 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1c(C)noc1C 1359024750 UYBWWIQAXYYOFN-YOEHRIQHSA-N 435.550 1.675 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@]2(C)COCCO2)n1 1359028155 IXYVVQIOBNKKPS-JOCHJYFZSA-N 428.537 1.834 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)SC)CC1 1359179506 WXNLHLWGZFCJSS-ZBFHGGJFSA-N 429.612 1.765 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359297647 XGKDWWCLRHXYDM-GOSISDBHSA-N 435.536 1.767 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CCC)C1 1359303880 DIGBANCVOVEDPZ-OAHLLOKOSA-N 432.550 1.577 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1359432639 SMIPLDIXMMHCHU-WZONZLPQSA-N 435.532 1.648 30 10 IDEE CC(C)N1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1360138378 FOTDKTUAYKVNBZ-ZWKOTPCHSA-N 438.536 1.775 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1449511980 XARAIUDVTBBGEY-GOSISDBHSA-N 425.489 1.880 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)CCOC1 1453691029 OCDUIVRYEGGSKE-LJQANCHMSA-N 436.306 1.340 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)c1 1454866131 YDZQUYFTQFTNPN-NRFANRHFSA-N 441.553 1.537 30 10 IDEE C=CCCC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1455836856 MHHZDGRUWDMLME-CQSZACIVSA-N 433.324 1.742 30 10 IDEE COC(=O)[C@@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1460689445 INYUPZSBOUCZPD-JOCHJYFZSA-N 426.473 1.523 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)CC1 1464851527 ZFTZHLHVQDQSAK-UHFFFAOYSA-N 437.519 1.706 30 10 IDEE C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1473487913 AQLNHHUKBYPFGM-QFIPXVFZSA-N 448.589 1.638 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1496474230 AQUHVTDUVHDYRO-MSOLQXFVSA-N 432.550 1.440 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1505044600 VTRJYQUVNDUSPE-HXUWFJFHSA-N 426.521 1.391 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1507544705 AUIYODSHIJTVEY-WGLILOHCSA-N 438.463 1.981 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1507606817 YEHQYYFRHITJSD-QGZVFWFLSA-N 429.546 1.677 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507726394 IJOFFXJNDOVSRY-FDDCHVKYSA-N 436.516 1.024 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ncnn2C(C)(C)C)CC1 1507736896 VDVVVMHYYOHXNR-UHFFFAOYSA-N 447.547 1.701 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507965588 OPUQYLXDZHURHE-GOSISDBHSA-N 439.520 1.329 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1C(C)(C)C 1508097868 LNVVSHAAXWLVSX-UHFFFAOYSA-N 445.612 1.402 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1509950106 DOSLBMYGDAMZOP-HNNXBMFYSA-N 432.554 1.235 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CCC#N)CCOC 1517429847 FYWBUBHZNIIEGH-UHFFFAOYSA-N 428.493 1.812 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1518849548 QBXZOAVBWIYCFO-JROKQLJMSA-N 444.536 1.561 30 10 IDEE COCCN(C)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1519121971 RYRCYONAQSXJEO-UHFFFAOYSA-N 426.569 1.648 30 10 IDEE COCCOCCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519392901 CDKWUBNPPFEMGY-UHFFFAOYSA-N 449.515 1.852 30 10 IDEE C#C[C@H]1COCCN1C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C 1528153954 TVHABSKWAXPRDR-INIZCTEOSA-N 429.521 1.548 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1537494284 LOIOIZGUIGACEF-KXBFYZLASA-N 429.539 1.380 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1539015652 VPPBZQSRRGYQDL-HXOBKFHXSA-N 446.596 1.917 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1539059005 MFXLKMUOFINMIH-IBGZPJMESA-N 425.489 1.471 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(Cc2ccccc2)CC1 1539178337 GYJBRWZYXJQWFW-IBGZPJMESA-N 443.573 1.703 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1539179215 NRZZKFIJIRMMRP-LJQANCHMSA-N 429.546 1.606 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1539341051 XRQBLBSFJLGNEI-UHFFFAOYSA-N 432.550 1.546 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1539370593 XVUVCTSNNQXREF-OXJNMPFZSA-N 439.582 1.012 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1539744542 PIOPKLMGWPLSKC-KRWDZBQOSA-N 434.541 1.737 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1540121258 QIJJBOXQYGGJBM-OAHLLOKOSA-N 445.549 1.041 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H](C#N)c2ccc(F)cc2)C1 1540577350 RJHBPHYMDWIZQK-JKSUJKDBSA-N 425.482 1.931 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1540853649 HJLSARWUIVRQSC-CHWSQXEVSA-N 425.515 1.159 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1540877231 OGLNZEKSOPGYPJ-LJQANCHMSA-N 438.532 1.831 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1540902929 UNFPCLMATJEFCD-UHFFFAOYSA-N 436.582 1.531 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1541799704 KENAMYBCZRQROH-HYVNUMGLSA-N 433.534 1.627 30 10 IDEE CCN1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1547695960 NFUIPDBEXMDBAO-VZCXRCSSSA-N 441.536 1.521 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CC1 1547702569 QMGBIFNDBHEVHK-SJORKVTESA-N 442.568 1.628 30 10 IDEE CCO[C@]1(c2nnc(N(CC)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1547873387 ICDYWQPMQTZMRA-RURFIKTLSA-N 430.509 1.445 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)C1 1555986074 DUNBHXFZIWWDLR-HXUWFJFHSA-N 447.540 1.434 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1 1557167735 WVWSPBBHDMZCNX-UHFFFAOYSA-N 448.570 1.571 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1558866057 FBFYZLONIDVGQJ-UHFFFAOYSA-N 443.525 1.845 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC[C@@H](CO)[C@H]2CO)cc1 1560037777 WGUHYYGDJHFNRP-LAUBAEHRSA-N 426.517 1.978 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 1570856771 FUYAFQCOXOAZQH-WFASDCNBSA-N 431.436 1.270 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1587633288 UAPJWQBCMBUFEE-HOTGVXAUSA-N 427.596 1.009 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588034253 BZSNVVKNTJCODM-QGZVFWFLSA-N 445.545 1.059 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSc2ccccc21 1588084733 VWQZXRSVVGCIOW-HZPDHXFCSA-N 429.571 1.851 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCS(=O)(=O)C1 1588276078 HPUNQXYIMXRZPR-OAQYLSRUSA-N 440.529 1.344 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588314510 GZQMWRDTJHYZDC-CYBMUJFWSA-N 426.468 1.849 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)CC=C)CC1 1588857279 LOGNXMYKULENTD-UHFFFAOYSA-N 427.574 1.419 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1588986173 ZFOXDXHYWMRNDK-GJZGRUSLSA-N 431.653 1.833 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1593763982 SWKSFXWEFGIWNQ-RTBURBONSA-N 427.553 1.980 30 10 IDEE COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1595348545 UXBOGYGSBSDOIL-JKSUJKDBSA-N 436.306 1.984 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](COC)C1 1595823695 QZAWISJEPQGQTR-KRWDZBQOSA-N 439.582 1.254 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 1598329200 HHPJXBNVGAKCKI-AHCXZYCDSA-N 447.557 1.989 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1611772067 KEWOJAPJDWUXOO-QFPXGYFVSA-N 425.493 1.438 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1617291591 KVJUQCNVUCKXAH-UHFFFAOYSA-N 428.562 1.950 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1618181590 SKSMJMMJZYZTCZ-GOSISDBHSA-N 430.505 1.659 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)s1 1618722749 JXQCAYIULUVXJX-UHFFFAOYSA-N 447.582 1.668 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1620103987 JLHBLQBRFGXHGB-WBAXXEDZSA-N 449.533 1.528 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)CC1 1620353981 ZMEKCOWVLCSJJP-MSOLQXFVSA-N 437.566 1.506 30 10 IDEE CO[C@]1(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCS(=O)(=O)C1 1627108230 LBZFNIPCABSXNY-NQMVMOMDSA-N 445.328 1.820 30 10 IDEE COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c2ccc(F)cc2O1 1628254890 HMPHNFBSIJYKAJ-QGZVFWFLSA-N 436.392 1.843 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OCC)[C@@H]2CCCOC2)s1 1633782204 NZOFWLCHLLVWLZ-DYVFJYSZSA-N 430.548 1.229 30 10 IDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1644073842 TXPMZSIZQQJQRA-WLENULPWSA-N 438.484 1.955 30 10 IDEE C=CCN1CC[C@@H](N(C)C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1=O 1645435379 YEVQPCDFQZTNSZ-QZTJIDSGSA-N 428.489 1.117 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@@H]2C2CC2)CC1 1660356823 AVGJVAKCJGUCBS-NHCUHLMSSA-N 448.564 1.434 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1663425687 YXOOFNYCWHBSNI-FQEVSTJZSA-N 444.557 1.921 30 10 IDEE CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 1669406399 CXGDDOWOGXMPFH-UHFFFAOYSA-N 445.466 1.009 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(=O)nc1O 1676717432 MEKKPCVABYRYDR-HBFSDRIKSA-N 436.516 1.420 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1689850331 ABDHZXJPPZNFBZ-DOTOQJQBSA-N 425.518 1.267 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1689861597 XQCZRXZZRLDUKP-IAGOWNOFSA-N 437.552 1.359 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1689937156 QPDPHHLFYXNVPR-KRWDZBQOSA-N 439.545 1.994 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689978453 VYRXDBNUTGGRPN-PMPSAXMXSA-N 428.518 1.208 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1689991346 ZWJDEPGGUBLZFS-IRXDYDNUSA-N 448.520 1.605 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1690109140 IDXROGRYEPSAQM-HSZRJFAPSA-N 428.581 1.601 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2occc2C)CC1 1690128638 HLFISZOMXGJMOM-UHFFFAOYSA-N 447.543 1.741 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1690319619 SRBKVCXPYWQXTR-KRWDZBQOSA-N 446.577 1.383 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1690328887 PIPFTJSFESZPJM-SWLSCSKDSA-N 442.977 1.691 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690428149 GEVGVMNLEXCZRC-UHFFFAOYSA-N 426.525 1.802 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690851338 XRLRTEFYHKUUAN-VHEBQXMUSA-N 429.525 1.062 30 10 IDEE CC(C)Cc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1692262760 OYTAZRKWSSGFKY-ZXYRZGOHSA-N 441.536 1.060 30 10 IDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1692876219 DDDPNTLFVRCOHX-RDTXWAMCSA-N 426.518 1.243 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1697197368 DBMSJOJAFUKBOQ-HTAPYJJXSA-N 437.504 1.810 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)c1 1697523450 XHMCMEMPWCOJJL-PZJWPPBQSA-N 440.548 1.919 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1705480937 ZGKKFQVGLKIIMZ-SBUREZEXSA-N 441.532 1.689 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1705595746 FCVCRQCUENWDNR-LJQANCHMSA-N 443.555 1.997 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1705621605 IJNHCMOCFOGEHX-UHFFFAOYSA-N 447.499 1.419 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1705792365 RPYMXPUQHQBAOJ-KXBFYZLASA-N 440.545 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@@H](C)C(=O)NC 1705896020 ZUFOXLMMDZDQPF-OAHLLOKOSA-N 436.520 1.456 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1705900890 SLWKDPVSDAARJW-QGZVFWFLSA-N 435.532 1.844 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1705912028 XDVQNKLFBXEIMK-FQEVSTJZSA-N 449.515 1.690 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2)C1 1705924994 IXQCQNWLFIUIDF-IAGOWNOFSA-N 433.534 1.413 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1COc2ccccc21 1706870424 BTDCAJHAQPIULQ-CKFHNAJUSA-N 434.497 1.506 30 10 IDEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)cc1 1711878796 UECLLOHUDWSFDP-UHFFFAOYSA-N 448.549 1.545 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(=O)(=O)N(C)C)C[C@@H]21 1712672482 SMELLFIKQCIJBT-CEXWTWQISA-N 444.561 1.569 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCc2ccncc2)cc1 1712881705 FQEDSPZVWGWJGZ-UHFFFAOYSA-N 438.513 1.601 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1N1CCOCC1 1722284669 OUSNQTJPTCJPGB-MRXNPFEDSA-N 428.512 1.898 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1722352592 OWZBFWICZVDTBK-MOPGFXCFSA-N 444.557 1.774 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722363605 GONPMNZKWFBYNW-WIYYLYMNSA-N 438.594 1.993 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(C)(=O)=O 1722668866 DLWZTNKWNNDOCB-UHFFFAOYSA-N 438.579 1.461 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1722696751 DNHMANLFGAIVSH-UHFFFAOYSA-N 432.488 1.234 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722698924 PGICQKYFPGSWSI-MGPUTAFESA-N 439.582 1.124 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1722699566 WBRDQGRXICYLJS-IRXDYDNUSA-N 447.536 1.615 30 10 IDEE CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1724020626 DDFXRKSGXCFENH-CCKFTAQKSA-N 425.530 1.563 30 10 IDEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1730691544 BYWOYYLXZQGOGJ-GOSISDBHSA-N 445.545 1.372 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740632772 WQTDGUZVXXJTSO-GHTZIAJQSA-N 434.562 1.216 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC2)CC1 1740706876 GSZZFXFVXAAIDC-INIZCTEOSA-N 428.562 1.636 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740887694 LLJIOJOBSDHXKT-QZTJIDSGSA-N 439.582 1.078 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C(C)C 1740960639 WVFVFQNKOCTQRS-HNNXBMFYSA-N 437.591 1.959 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740961009 JDHZQTIDUBCYSA-MRXNPFEDSA-N 437.953 1.448 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1741001675 AWOHZKGQCIMJPN-HZSPNIEDSA-N 428.536 1.214 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1741002740 LQOLPPXYNNDIGC-SFHVURJKSA-N 436.626 1.738 30 10 IDEE CCCN(CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745611123 DHVFNBMIWGSIFR-GOSISDBHSA-N 438.536 1.496 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1747771503 SILNYZOQJSKECX-QFIPXVFZSA-N 437.504 1.904 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(F)c2)CC1 1748973040 VPOXKXOYSJUYID-UHFFFAOYSA-N 449.490 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(F)(F)F)CC1 1749009325 HZIZCIQFOBBQPA-AWEZNQCLSA-N 426.443 1.538 30 10 IDEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1749022586 KPWUUHOJYLKTFL-YJBOKZPZSA-N 447.536 1.875 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1749187438 JREOXYXEYTYLNS-KRWDZBQOSA-N 432.550 1.528 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749252555 SEZHEBDAKJSRJZ-INIZCTEOSA-N 448.959 1.995 30 10 IDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749498828 JZXDXDRJHJZCJZ-GOSISDBHSA-N 433.578 1.976 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1749598243 UIBSDCKECNHLHQ-FQEVSTJZSA-N 440.548 1.753 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](COC(C)C)C1 1749729087 ALDUBRKYXDCTDE-KRWDZBQOSA-N 435.550 1.571 30 10 IDEE COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1749837217 AHLHWRJSOHUPKU-LPHOPBHVSA-N 446.577 1.865 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1750103872 AFVZXSKDNPQKCB-INIZCTEOSA-N 428.493 1.757 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CSCCS1 1750154353 MANTZEDPEPMDAX-JONQDZQNSA-N 425.580 1.579 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCS(C)(=O)=O 1750977915 DBCADLSBTYDYEU-MSOLQXFVSA-N 444.561 1.595 30 10 IDEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1760161770 PVENFOPLTWKLOQ-INIZCTEOSA-N 437.566 1.998 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC1(O)CCS(=O)(=O)CC1 1760231235 XFTPXMNKPSIZMD-UHFFFAOYSA-N 439.541 1.893 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1 1760445698 SLNOWTTYQTXIJV-QGZVFWFLSA-N 437.508 1.951 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1760523370 WAWGOAGREGAZBE-UHFFFAOYSA-N 442.911 1.709 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)OC)CC1 1760528121 SNDRRIPZOUWTMD-UHFFFAOYSA-N 431.468 1.688 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760556775 PQYQTECZXSMGMC-MJGOQNOKSA-N 430.578 1.538 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)C(=O)C1 1760559534 PXHWXXBPJCGPTE-MRXNPFEDSA-N 425.555 1.035 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1769156472 CNRVXUDFRZSMPB-UZUQRXQVSA-N 435.532 1.694 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1769368469 DFPLRZIHBVSDTR-MAUKXSAKSA-N 429.550 1.039 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@@H]4CN(S(C)(=O)=O)C[C@@H]43)n[nH]2)c1C 1849760999 IMVBGOCSCFDTJS-QAPCUYQASA-N 432.550 1.572 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)cc1OC 1849815683 MAKVEXQTLKDIFZ-CQSZACIVSA-N 436.472 1.066 30 10 IDEE COc1ccc(CCNC(=O)CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1OC 1850443894 NAGICMGUUDGEMU-UHFFFAOYSA-N 442.560 1.837 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCO[C@H](C#N)C1 1850781091 ZIUAFRMQFMKOCB-VHSXEESVSA-N 425.816 1.777 30 10 IDEE C[C@H]1COCCN1C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc(F)cc1F 1851173786 ZFRPBIDMZNOIOB-IFXJQAMLSA-N 449.479 1.973 30 10 IDEE COc1cccc(C#CCNC(=O)[C@@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1852592959 QFDXSKTVQRYTBP-WOJBJXKFSA-N 441.528 1.878 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 1855697933 HRXQHXPWHHHSSY-QZTJIDSGSA-N 432.546 1.308 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CCN1CCC#N 1855882168 DNDJADYDURMQAE-KRWDZBQOSA-N 436.509 1.342 30 10 IDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1856165291 UZFKZDQNLAFDNC-ROUUACIJSA-N 436.578 1.191 30 10 IDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2nc(Cc3ccc(OC)cc3)[nH]c2c1 1860971935 ZYGKIRWQZAGQJP-IBGZPJMESA-N 449.511 1.828 30 10 IDEE N#C[C@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc(O)cc2)CC1 1866867489 PHRZUFNSAYAVTD-QZTJIDSGSA-N 428.514 1.846 30 10 IDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1870149827 QLXMBSIEMYMQSV-OAHLLOKOSA-N 430.424 1.855 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN(CCOC)CCOC 1870537865 SQWBMDSZQCPZCR-UHFFFAOYSA-N 433.505 1.417 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870559833 AXEAGUXNRBLBRA-CALCHBBNSA-N 445.541 1.165 30 10 IDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)CC1(C#N)CC1 1962359130 XIMSKYXCHPTRMA-UHFFFAOYSA-N 432.543 1.628 30 10 IDEE CN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)[C@@H](C#N)C1 2010545850 AFLXDXYKFMIJRC-CVDCTZTESA-N 427.549 1.822 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](O)C1 2073249209 YZEKMQACOPUCGQ-NXHRWCDGSA-N 434.302 1.133 30 10 IDEE Cc1c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc(C#CCN)c1Cl 2138186260 KNSXEAOJFWSTNL-UHFFFAOYSA-N 431.901 1.997 30 10 IDEE C#CCCN1CCC(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2204053425 WECANEWXDPQDNW-OAQYLSRUSA-N 435.521 1.418 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2243686555 NTQLFKZJDHUAQV-UHFFFAOYSA-N 425.316 1.675 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248411851 CQAYCTIYRXWYEW-IBGZPJMESA-N 438.359 1.845 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2251307127 RYTJLRQAHBMRMZ-MYSGNRETSA-N 444.359 1.228 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628176 DXFXQMMLGXCTTI-QWRGUYRKSA-N 430.236 1.381 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)COC1 2255698416 IMTVZJMUNSOPHM-UHFFFAOYSA-N 433.314 1.404 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2255826292 NQQISCTZLIWJFA-DZGCQCFKSA-N 432.330 1.790 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CC[C@@H]1OCc1ccccc1 2255880849 LVQQUKDELNJZNH-IRXDYDNUSA-N 426.326 1.934 30 10 IDEE Cc1nc(NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256678106 LBOWGBNLFNYWAZ-CQSZACIVSA-N 436.318 1.298 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 2267182484 HAOIJDJSSYDDOZ-HZPDHXFCSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)(C(N)=O)C1 2267289762 ULUZORLTLGHNQW-UHFFFAOYSA-N 449.313 1.031 30 10 IDEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267580107 CINPJSVCOFPXTL-UHFFFAOYSA-N 449.361 1.443 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC12CC(NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267873451 PQMVQEURUWYDKZ-ABTIHDLSSA-N 444.341 1.951 30 10 IDEE C=CCOC(=O)N1CCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169907291 YKBIAJHLPWWFMO-UHFFFAOYSA-N 430.417 1.438 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 492420091 ROFZJLXYMFZZSL-UHFFFAOYSA-N 434.487 1.263 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 501552059 PFJLNVMIQBIUBG-UHFFFAOYSA-N 432.528 1.514 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 522338116 RJOYTTHEMQXWNR-UHFFFAOYSA-N 446.504 1.989 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccccc1 532394557 FAMYPGROKJLKSR-KRWDZBQOSA-N 448.548 1.316 30 10 IDEE N#Cc1cccc(-c2cnc(CNS(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)[nH]2)c1 540463252 TVJIXLRATSWMNO-UHFFFAOYSA-N 428.495 1.757 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCO3)CC2=O)cn1 559122723 IXMILJGDZGFONZ-LJQANCHMSA-N 432.488 1.582 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 563480785 AMKHHIZRNOBGNR-GFCCVEGCSA-N 425.511 1.868 30 10 IDEE N#Cc1ncn(CCNC(=O)c2nnn(-c3ccc(Br)cc3)c2C2CC2)n1 570067420 LCJGBLMJRKXVLA-UHFFFAOYSA-N 427.266 1.800 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)c1 573492296 BORQJZYIYCCLMA-MRXNPFEDSA-N 448.495 1.896 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 583900630 NEZWPRFREASQBC-IBGZPJMESA-N 442.545 1.838 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@@H](CC)C(=O)OCCOCC)nc1C 586301977 GDFZATMVRLKRTM-YBKRRLQSSA-N 446.547 1.840 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 619228318 GUDNWONVRFCYMC-UHFFFAOYSA-N 442.497 1.237 30 10 IDEE O=C1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CCN1CC(F)(F)F 672297159 MINDRYNFIACDFR-UHFFFAOYSA-N 438.275 1.679 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 727813840 GTLAXELANGYBIK-UHFFFAOYSA-N 434.521 1.702 30 10 IDEE CN(Cc1ccc(C#N)cc1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729625547 XZRNEEDIQLMBGG-UHFFFAOYSA-N 443.309 1.624 30 10 IDEE C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465455 FMBVDYLZZOZIGO-SXZOAGKDSA-N 433.459 1.879 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 735852144 HTVFUIRNASIZBQ-MRCUWXFGSA-N 427.457 1.496 30 10 IDEE C#CCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 741448931 HJZNYWVRJYDMPV-KRWDZBQOSA-N 429.546 1.198 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ncn(C)n2)C1=O 768420489 GBDVHKOKQYZBIF-OAHLLOKOSA-N 433.513 1.154 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C(=O)OC)C3CC3)nnc12 771853649 IPDOVDTVOVBZKX-INIZCTEOSA-N 428.470 1.817 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 774265064 HCXUJTMNMXJIHM-GOSISDBHSA-N 447.605 1.781 30 10 IDEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1-c1ccc2c(c1)OCCO2 782676158 GJBYQWDYLMIIML-UHFFFAOYSA-N 448.410 1.847 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCCO2)c1=O 782793424 QPAZDUXNTIPBKX-LBPRGKRZSA-N 434.319 1.002 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc1C#N 785601450 MMNVGHDFIUWXEB-INIZCTEOSA-N 438.513 1.836 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ncn(Cc3cccc(F)c3)n2)n1 789217869 GLPMPEXUHJXHMA-UHFFFAOYSA-N 425.468 1.653 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 800040221 YKLARBWPFMVUAG-IXDOHACOSA-N 428.555 1.567 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 806436498 VEHBMHPNAUIAOP-GOSISDBHSA-N 428.514 1.859 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)o2)CC1 814319862 CPKYERAMOKDYAZ-UHFFFAOYSA-N 437.499 1.010 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(OC)ccc3OC)cc2C1=O 916175764 PCHLYLKMQCKNQH-UHFFFAOYSA-N 430.438 1.605 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)c1 1115942688 BWHWNTGPBSDWOU-UHFFFAOYSA-N 425.532 1.116 30 10 IDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)O1 1125125144 DAKOSTKILNOKCR-GNRHSTDMSA-N 437.518 1.939 30 10 IDEE N#C[C@]12CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]1CS(=O)(=O)C2 1157885941 XQRGZMSKFRHDNL-NCAQKEMTSA-N 425.919 1.540 30 10 IDEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1158038404 NSZDXHATBOAGDI-SFHVURJKSA-N 432.429 1.872 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1256579814 PNEARKCCFWGBPV-UHFFFAOYSA-N 441.454 1.416 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(CC)s1 1286365827 KISWFCTYJUQGIV-UHFFFAOYSA-N 445.574 1.727 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286396665 WZEMHIWEVQVWDA-GOSISDBHSA-N 443.529 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1286431280 NPPDOVCUIMWPNJ-IBGZPJMESA-N 437.569 1.965 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(CCOC)c1 1286444165 QZHWSWDZGLPUCW-UHFFFAOYSA-N 432.488 1.945 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286592831 XOESRKUWDCPKJF-SFHVURJKSA-N 435.594 1.985 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286601979 QVZWIPKUQYDNEN-UHFFFAOYSA-N 446.512 1.955 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1286728673 FHZVAQOIHSQSNA-AWEZNQCLSA-N 428.559 1.522 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286820794 RWKJDJPJCNNPBV-IBGZPJMESA-N 448.593 1.947 30 10 IDEE CC(C)Cc1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1287410973 LSHYQRIGTYTITO-QZQOTICOSA-N 430.553 1.992 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1288981652 GVUNZRCGGVYEER-HXUWFJFHSA-N 444.561 1.334 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC(O)C1 1297334768 LLGSIHGBGRGMIN-FRIYVGAWSA-N 442.516 1.441 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1298283315 CDOXCUTZZKVXAK-RTBURBONSA-N 444.561 1.572 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(C)(=O)=O 1300449659 VRNNQMZGJJXLKZ-UHFFFAOYSA-N 427.324 1.830 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1300464346 BQBWYBDQUQKYLY-KRWDZBQOSA-N 437.953 1.691 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1300505148 YERWBSYAORDMTN-SFHVURJKSA-N 443.533 1.111 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H](C)C1 1300654616 BBLIFMRQEJJMHC-QZTJIDSGSA-N 436.520 1.822 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(OCC)c2)CC1 1300706465 NJVDAPMXLURTOL-UHFFFAOYSA-N 436.560 1.797 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300768444 RHBORWRGIHCNPK-MJGOQNOKSA-N 425.558 1.981 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301262118 QWIWMCXLGXFQCJ-UTKZUKDTSA-N 434.541 1.125 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1301298186 ZTTYMTIMGCATRU-KBXCAEBGSA-N 441.579 1.202 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(OC)cc1 1301500561 NNTURUZQWMPSDZ-KRWDZBQOSA-N 447.561 1.518 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1302585438 NTOAJKYNDXECFU-UHFFFAOYSA-N 446.504 1.584 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1302982042 DPOLRDKYEICTCE-VQIMIIECSA-N 434.497 1.550 30 10 IDEE CCc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306117262 FVVSXILUIZUNQK-FMQUCBEESA-N 441.536 1.206 30 10 IDEE Cn1c(=O)c(C(=O)CN2CCCc3c(C#N)cccc32)c(N)n(Cc2ccccc2)c1=O 1307905900 RTTLCSZXAZMCNH-UHFFFAOYSA-N 429.480 1.685 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1316154858 AYNTYGLWFDNOPU-OPAMFIHVSA-N 426.521 1.988 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)CC#Cc2ccccc2)c(N)n(Cc2ccccc2)c1=O 1319677355 GEEXGGLOBVMMDS-UHFFFAOYSA-N 445.475 1.828 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358962518 RDESZOHHTSLCBT-VJANTYMQSA-N 436.578 1.819 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1359018522 SNVAHIVBSVCMKM-HSZRJFAPSA-N 440.548 1.300 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@@H](C)CC)C1 1359321673 KBLBREOPJTYCOK-YESZJQIVSA-N 439.582 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359330676 ZCHBBJKMMXMRIH-QGZVFWFLSA-N 442.545 1.937 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1359466666 FQIFHIXAHIVCTI-HZPDHXFCSA-N 425.603 1.749 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1359467454 SHBKJJRPPZZZGO-GJYPPUQNSA-N 425.555 1.349 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1454868832 KYHXRNQKOICLTH-HXUWFJFHSA-N 442.541 1.162 30 10 IDEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1462989367 OWVXAKCLSSBOPM-UGKGYDQZSA-N 444.557 1.347 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 1475411688 HDUFWYHRYDDHJX-UHFFFAOYSA-N 427.498 1.879 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1479279327 OEKNIGUZJUKWKK-FQEVSTJZSA-N 437.500 1.008 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1494915370 DTJIFRYRQFLHEQ-IUVQAAGXSA-N 442.586 1.004 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1503271068 KVKICLUOBMHYQX-UHFFFAOYSA-N 443.533 1.705 30 10 IDEE CN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1503526585 BOEZLOYBHJMTOK-HTXNQAPBSA-N 436.476 1.298 30 10 IDEE CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503816385 HQINKIDWXCJFAI-UHFFFAOYSA-N 444.543 1.594 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCC(=O)N1CCOCC1 1504405537 CDFAXPFDFMDCGQ-UHFFFAOYSA-N 438.532 1.866 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCOCC2)CC1 1504971402 BSYPFHQPSBKSDI-NQIIRXRSSA-N 432.569 1.997 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507572246 DAYRKJVPPWIGEW-INIZCTEOSA-N 429.525 1.083 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)C1(OC)CCOCC1 1507605099 NCZXTQPIACCNDT-UHFFFAOYSA-N 434.447 1.826 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1507617320 SYTBYLBAKKOBDN-IBGZPJMESA-N 442.545 1.518 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1507654100 VSZSGGZMOHUOQU-QGZVFWFLSA-N 426.498 1.073 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1507709320 STRRCENXFPBNSV-UHFFFAOYSA-N 427.530 1.728 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCC(=O)NCc2ccccc2)CC1 1507724559 GXUWLWGHDRXQOF-UHFFFAOYSA-N 429.528 1.802 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1507740768 YVPWPBBMLLTLCB-NQIIRXRSSA-N 436.560 1.902 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507757171 QAGHLRJBIXYNSV-HKUYNNGSSA-N 434.610 1.170 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507808212 UDYVLUOBTIRREE-WCIYBSDLSA-N 433.553 1.700 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)NC)C1 1508112122 MJFGBDNSNLBRMF-CQSZACIVSA-N 425.942 1.929 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1508390106 UTIBAANMMHGTLD-SFHVURJKSA-N 436.476 1.612 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C 1517702197 LCIGEAJHHFAHNT-PONJGIIJSA-N 440.504 1.634 30 10 IDEE CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1538308620 MSEMNCFGGGGDIM-YWZLYKJASA-N 432.502 1.841 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1539126566 YJEQMMPVWJGXJY-QGZVFWFLSA-N 448.568 1.961 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539212527 PVYWOUBABDVAMM-OAHLLOKOSA-N 425.470 1.986 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1539326532 WSOFONHITFCQAZ-QGZVFWFLSA-N 429.427 1.635 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539371535 VCALNMDTOUGDSZ-QFBILLFUSA-N 445.545 1.532 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)NCCC)CC1 1539436074 IFARREQMXKEAAN-UHFFFAOYSA-N 440.548 1.634 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(N(C)C)CCSC2)CC1 1539445874 JHUCEPNKAPMHKV-QFIPXVFZSA-N 425.606 1.841 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCCOC)CC1 1539453234 GXCREMUYGRAVIJ-UHFFFAOYSA-N 447.543 1.488 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC(=O)N(C)C)CC1 1539462586 IZOHACVSYWKWJS-UYAOXDASSA-N 430.597 1.820 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539960876 IAIPLNVCPJOJED-UHFFFAOYSA-N 435.536 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1540903368 DFMOGVUBRDBUCT-QGZVFWFLSA-N 427.615 1.624 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn(C)c1 1541713441 BFARGYDDNJUJKH-UHFFFAOYSA-N 444.521 1.534 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1541990336 DVAVGYYUXLNEAO-YWZLYKJASA-N 436.582 1.473 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1541993304 NAZZUNDTKXCDOU-SJORKVTESA-N 437.566 1.506 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 1545777408 ZKVVSGPIYNRPRC-INIZCTEOSA-N 444.536 1.537 30 10 IDEE CS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555819059 JJWLXSYKSCKQEP-KURKYZTESA-N 430.534 1.075 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)C2)c(=O)nc1O 1558806068 CJGDSOKHPYJLDY-UHFFFAOYSA-N 447.373 1.663 30 10 IDEE CC(C)(C#N)CCCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1559636796 YIHLOLYTAGVRDP-UHFFFAOYSA-N 435.594 1.945 30 10 IDEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1565629663 FOTMUJPUKFYTKB-ONBLHPBISA-N 427.486 1.600 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 1565718448 IUQTXKJOHFNEDS-KRWDZBQOSA-N 426.473 1.973 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3cccc4c3OCCO4)C2=O)cc1 1585110698 BOJODLCVGHOWGK-GOSISDBHSA-N 434.452 1.893 30 10 IDEE CS(=O)(=O)c1ccc(OCCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1585131713 DIVVRZULBIHNOA-KXBFYZLASA-N 440.543 1.036 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1587621404 TYBAJCCPUXRKQK-LSDHHAIUSA-N 440.529 1.085 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1587861328 JZTANXMDPWNLPX-QZTJIDSGSA-N 447.565 1.099 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588039626 AVHQYENENCWGKI-RBSBEOHCSA-N 445.570 1.212 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588049153 AWGHVLBCAVLDTH-HXUWFJFHSA-N 438.557 1.970 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588254465 WHSGQLLWLSRVNT-OALUTQOASA-N 433.578 1.482 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1594497180 BPZPKQINBVNULU-ULQDDVLXSA-N 439.582 1.581 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1594713577 FZGBTHHYRHZJBI-INIZCTEOSA-N 447.565 1.156 30 10 IDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1596890203 XGHBGCZSFDBLCO-UHFFFAOYSA-N 449.554 1.378 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCNC(=O)C2)n1Cc1ccc(C#N)o1 1597479115 ABPXJYUOFNKRCT-INIZCTEOSA-N 441.492 1.799 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613337160 BJQDWPYJRRAERT-PVHMMBIOSA-N 427.509 1.129 30 10 IDEE CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1614249880 JNKBVSGLKPBILD-SGRLSNSRSA-N 437.504 1.406 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1618291805 XFPNTYRUAIJHDC-XUTLUUPISA-N 432.488 1.804 30 10 IDEE COCCn1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)cn1 1619925586 HEKYXIPAEYYYMD-INIZCTEOSA-N 443.458 1.767 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)N3CCSCC3)n[nH]2)c1C 1628507756 WHXBKFVOCGUPIF-UHFFFAOYSA-N 438.579 1.184 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1631359321 RRTANMKPAMEXHH-ZDUSSCGKSA-N 431.436 1.129 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 1637405114 MRFVTQGXBYUHGU-QGZVFWFLSA-N 429.583 1.860 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 1640376062 KEFKQPJDLBVXPW-HRCADAONSA-N 430.571 1.798 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2n[nH]cc2N)C1 1640545240 NGPLRFJFCMJOTN-BBRMVZONSA-N 430.534 1.605 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H](O)Cn1ccnn1 1642304087 DSVGYURHKXAPAG-AEFFLSMTSA-N 426.477 1.161 30 10 IDEE CCN1CCN(C2CN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)C2)CC1 1647289629 FNWZGAKFFLPBEN-UHFFFAOYSA-N 437.504 1.834 30 10 IDEE Cc1nnc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)s1 1652257845 GEWCGUCVWJNZEB-INIZCTEOSA-N 439.501 1.272 30 10 IDEE CC(C)(C)OC(=O)N(CCO)C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1654466361 XASUEVIDCQUPOQ-UHFFFAOYSA-N 441.528 1.980 30 10 IDEE N#Cc1ccc(NC(=O)CN2CCN(c3ncc(I)cn3)CC2)cc1 1659691136 KVOMOGILTURMRY-UHFFFAOYSA-N 448.268 1.714 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)CC1 1660434686 QUCLRUUFGVOYFP-PGRDOPGGSA-N 437.585 1.030 30 10 IDEE CCS(=O)(=O)N1CCC(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1671514110 FZMMHMLQJMQYRQ-UHFFFAOYSA-N 447.605 1.884 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O 1680685603 MFYRLPMTCVPPSV-AWEZNQCLSA-N 430.324 1.602 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1690622369 NTPMHIDGCODQLN-KRWDZBQOSA-N 448.545 1.639 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1690648182 MMSAOGDOCAPGNT-UHFFFAOYSA-N 438.532 1.948 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690672291 NWDCYQBVEXTGKG-UHFFFAOYSA-N 443.552 1.864 30 10 IDEE C[C@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1692804636 DWTKTJWXKZUZQZ-JXFKEZNVSA-N 431.518 1.238 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1693950099 DLCIKYKNUHJNRM-CLBRPSSMSA-N 446.596 1.976 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nnc2n1CCCCC2 1694352685 DVOMJCPRLZFOQO-MRXNPFEDSA-N 441.540 1.291 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccccc2F)CC1 1705769585 WUWZHJBQEJLQSR-INIZCTEOSA-N 447.536 1.906 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1705870536 KNCVRVDOPANUFR-UHFFFAOYSA-N 429.344 1.763 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705895242 ZFWCDLOBADGAAE-UHFFFAOYSA-N 427.509 1.245 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(O)CCC1 1706895204 HZGWYGKWYDDSDI-JQHSSLGASA-N 444.561 1.547 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1712329006 FYZZPCPCAJKSEH-RTWAWAEBSA-N 428.468 1.958 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1712886074 HRTACYKSIUESFQ-GOSISDBHSA-N 449.508 1.550 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1722275740 GALHLBIXQQNLNN-LSDHHAIUSA-N 433.534 1.440 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1722283799 JPXQSQDKCKUBMO-SPLOXXLWSA-N 428.924 1.798 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1722369361 YFSGFCXUOUWLMD-FUHWJXTLSA-N 432.550 1.237 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)(F)F)CC1 1722448596 VVKRMVOJSCNTFB-AWEZNQCLSA-N 442.442 1.122 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722697875 SJXSEPSDIAGZJT-JOCHJYFZSA-N 436.520 1.436 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1c(C)nn(C)c1C 1722727254 NAUQKRFFJFOGLQ-KRWDZBQOSA-N 436.582 1.760 30 10 IDEE CC(C)C(=O)NCCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1723073997 WYLPOYTWQVLWNB-KRWDZBQOSA-N 439.568 1.941 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1723772916 ODDXVZFKYKQZKN-UNEWFSDZSA-N 427.484 1.451 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN(CC)S(C)(=O)=O 1727608258 VTZYUTGJCHJWLC-UHFFFAOYSA-N 446.581 1.105 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1729690882 DFQMJPKNJXGFHJ-UHFFFAOYSA-N 447.547 1.931 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)OC 1730464306 PBXFMEXCVPEEOK-NFBKMPQASA-N 440.548 1.779 30 10 IDEE O=C1CC[C@@H](c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC(F)(F)F)N1 1731216722 BGDWBFRZJOGTNO-VIFPVBQESA-N 432.344 1.814 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740613773 SUZWQYDRGOCOQF-SFHVURJKSA-N 431.562 1.825 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1740626462 KSGAEBBECKIFAP-RBUKOAKNSA-N 436.578 1.616 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCS(C)(=O)=O 1740687422 DLJIDARDEWTJKX-IAGOWNOFSA-N 426.583 1.717 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1740752291 VIYPVNLMURAYGT-YVSFHVDLSA-N 441.598 1.873 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740957286 ITVXKPKBNRONSH-IYBDPMFKSA-N 441.536 1.879 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1745880024 HFXGGLJWAICVEF-UHFFFAOYSA-N 449.494 1.551 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1747242279 ZRJHYARKSGKYPD-SQNIBIBYSA-N 437.504 1.546 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1747530283 GUZPNGDRKNSUGY-UHFFFAOYSA-N 447.547 1.745 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1748293886 APQILQYMEMYTIX-UHFFFAOYSA-N 440.533 1.268 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1748713984 GICISJLDCMXAAC-LMDPOFIKSA-N 435.594 1.867 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1748780858 OEZDLTXBYFTNJM-VZCXRCSSSA-N 434.456 1.312 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2CC2CCS(=O)(=O)CC2)n1 1748971475 RHWPPSSUXVDWHB-UHFFFAOYSA-N 446.577 1.463 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2C)CC1 1748990656 YYAFPTNYHPWVSE-HXUWFJFHSA-N 427.574 1.601 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749115435 QAEQOPQTHUJMIM-QWHCGFSZSA-N 434.360 1.556 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1749142329 XFBJZXARJZFDKD-UHFFFAOYSA-N 446.577 1.873 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCCO1 1749655620 NFPWVSCDFVQGEH-QGZVFWFLSA-N 447.561 1.656 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1751431339 BTELCGYMTLMGTQ-YJBOKZPZSA-N 447.565 1.040 30 10 IDEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1752191411 BOTKNYLJWPNDHS-MRXNPFEDSA-N 430.534 1.753 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1760160248 CALJXTSFEXFCGH-GOSISDBHSA-N 439.541 1.650 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCOCC2)CC1 1760208926 OFPPLTMDYYEQDS-UHFFFAOYSA-N 426.565 1.524 30 10 IDEE C#CCSCCn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1760286619 PMZREZYGHAXADS-RXVVDRJESA-N 435.594 1.601 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1760522951 HXALPMIXQDMNED-QGZVFWFLSA-N 438.532 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)=O)CC1 1760557349 INKJZMAEELZNKP-UHFFFAOYSA-N 447.561 1.435 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C(C)(C)O)c1 1761477078 XPUDROGQDDWCSV-HNNXBMFYSA-N 446.577 1.904 30 10 IDEE CCN1CCN(CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)CC1 1765577124 KFIOSXXCWDZDRJ-IPJJNNNSSA-N 449.575 1.472 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766368737 AQEPGVFPSRFXBQ-HNNXBMFYSA-N 449.519 1.702 30 10 IDEE COc1cc(Cn2c([C@H]3CCOC3)nnc2N2CCC(C#N)CC2)ccc1OCCO 1768307075 GGPPSOXJPLOOEF-SFHVURJKSA-N 427.505 1.950 30 10 IDEE COCCOCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1770139653 CNCJDCIGNWHQQH-FQEVSTJZSA-N 434.472 1.891 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1772564640 HVHBWKZSXZJKBB-MRXNPFEDSA-N 427.477 1.560 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1772566811 YBUPPSHHZUFXEC-UHFFFAOYSA-N 440.552 1.672 30 10 IDEE C=CCN(C(=O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1)[C@H]1CCN(C)C1=O 1850863149 PYRKEBQVDMCTTN-NRFANRHFSA-N 440.523 1.864 30 10 IDEE N#Cc1ccc(N2C[C@@H](OC(=O)CN3CCn4cnc(-c5ccccc5)c4C3=O)CO2)nc1 1852614445 ODMLLVZNYHLQLD-GOSISDBHSA-N 444.451 1.636 30 10 IDEE CCCC(=NOCCCN1CCN(C)CC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853550715 MGCHSTIGLVNLQB-UHFFFAOYSA-N 437.566 1.227 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(C)C)c(=O)cc1CN(CCO)CCO 1870728146 AGPJFKLVKHLIRV-UHFFFAOYSA-N 443.544 1.962 30 10 IDEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871133986 XMULEWXLEKKTAK-UHFFFAOYSA-N 434.518 1.199 30 10 IDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891520973 PIOHJQWSMVOXQB-INIZCTEOSA-N 432.440 1.586 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 1899543722 PPKROVJAJZHHHG-LXKVQUBZSA-N 432.348 1.228 30 10 IDEE CC(C)OCCCN=C(NC[C@H]1COCCO1)N1CCN([C@@H](C)c2ccccn2)CC1 2087917865 HRQZQJQDCFCNFB-SFTDATJTSA-N 433.597 1.936 30 10 IDEE C[C@@H](c1nscc1C#CCN)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186578434 SSQKBTPSQWKAKM-AWEZNQCLSA-N 446.554 1.462 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)n1 2255653340 HQFVKYWQWSGKLK-LSDHHAIUSA-N 432.330 1.553 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2255823262 TZHXWESOEGUINB-UHFFFAOYSA-N 436.314 1.599 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267000130 SWAPEZHIQONYTM-HUUCEWRRSA-N 447.341 1.481 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880543 UTQZVROSDPSWAR-NWDGAFQWSA-N 442.247 1.447 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269088448 QZFDBHBSVKSSMW-MRXNPFEDSA-N 440.309 1.091 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300304313 NEJQSIGNDOEHFC-CHWSQXEVSA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303114815 OHPLQCNTYYGMOT-QPSCCSFWSA-N 426.319 1.022 30 10 IDEE N#Cc1c2n(c(=O)n(CC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)c1=O)CCC2 9634445 FVCLLDRKEXBMOI-HXUWFJFHSA-N 428.448 1.995 30 10 IDEE Cc1cc(C)nc(N/C(=N\C(=S)NC[C@@H]2CCCO2)NCCCN2CCOCC2)n1 14158415 AKZYUISONBBVDY-KRWDZBQOSA-N 435.598 1.227 30 10 IDEE CCOc1cc(/C=N/Nc2nc(SCC(=O)NCc3nnc(CC)o3)n[nH]2)ccc1O 59881484 YKBJKIUTYYTZKL-DNTJNYDQSA-N 446.493 1.709 30 10 IDEE C#CCn1/c(=N/C(=O)/C=C/c2ccc3c(c2)OCO3)sc2cc(S(N)(=O)=O)ccc21 103394414 SIZNFSXVUQGLGZ-VLKLKSQQSA-N 441.490 1.853 30 10 IDEE COc1ccccc1/C=c1\c(=O)oc2n1-c1oc(N)nc1[C@@H](c1ccccc1OC)C=2C#N 138524166 DFKGPSLEMNCUEG-SKTWIKFTSA-N 442.431 1.666 30 10 IDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254481871 QKSFSFXEPGTZJU-SWLSCSKDSA-N 442.515 1.560 30 10 IDEE CCOC(=O)[C@@](C)(NCC(=O)NCc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 430266276 CKXWPWGYFKYZGR-QFIPXVFZSA-N 443.525 1.646 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C[C@H]2CCCO2)c1=O 440389453 XIXUUUZNHPJHSB-OAHLLOKOSA-N 445.566 1.069 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 460786525 KERACBYLNAKDRB-MRXNPFEDSA-N 446.577 1.829 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 465480659 WWOTUFXUDGRMDM-PMACEKPBSA-N 433.560 1.764 30 10 IDEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N1CCN(CC#N)CC1 501862698 UUKRNVSDCVQCIP-UHFFFAOYSA-N 432.340 1.694 30 10 IDEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508819079 WKKWFGJJCBTRHS-UHFFFAOYSA-N 449.559 1.604 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](c3ccnc(N)n3)C2)CC1 518400831 GXBXAPDSAXIELP-RXVVDRJESA-N 437.523 1.786 30 10 IDEE C[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 557471568 BLMMXRLJMSIOLW-MAUKXSAKSA-N 428.514 1.987 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCOC3)CC2)c1C#N 574535915 ZMYAYQOUWLNFQH-SFHVURJKSA-N 447.547 1.541 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 603800226 UNXNEYXNHQKVID-QGZVFWFLSA-N 427.526 1.125 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccccc1C#N 604000160 SLBISONXLJHIQT-UHFFFAOYSA-N 448.454 1.854 30 10 IDEE Cc1oc(NC(=O)[C@@H](C)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C#N)c1C 615456439 APPMLPGCYYLPCB-CQSZACIVSA-N 431.518 1.565 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](CNS(=O)(=O)C4CC4)C3)cc2C1=O 673406477 AXUWAZJRNFHTTO-CQSZACIVSA-N 431.514 1.403 30 10 IDEE CN(CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 732651113 VXMZEWHEAFSTGD-OAHLLOKOSA-N 441.351 1.268 30 10 IDEE C[C@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732665930 AVDWJMTTZJFBQF-HTAPYJJXSA-N 425.489 1.288 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 741449313 MEFJMAXSDGDXLY-SFHVURJKSA-N 444.561 1.084 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 746638558 QFRGUTJOGNFHTO-NSHDSACASA-N 437.293 1.168 30 10 IDEE CON(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1Cl 760793955 ROHTYXVQKXUVAM-UHFFFAOYSA-N 449.920 1.751 30 10 IDEE C[C@H]1COCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 769250546 BZGRCFSCTCVINC-LSDHHAIUSA-N 428.445 1.671 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCc4ccc(C#N)cn4)CC3)C2=O)n(C)n1 780652431 NJSDHFZTTWJVPG-IBGZPJMESA-N 436.520 1.018 30 10 IDEE C[C@H](C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)n1cnc(C#N)n1 798927709 UWXQVPIPLOLBCM-CVEARBPZSA-N 445.524 1.029 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2C[C@H]3COC[C@@H](C2)O3)c1 801619400 LDZYYNCGALHBMW-XTHYMMCNSA-N 436.534 1.911 30 10 IDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccc(Cl)cc1 810473070 CQOYSQZENMNFPD-KRWDZBQOSA-N 435.889 1.951 30 10 IDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC)[C@@H]1CCS(=O)(=O)C1 812026054 GZTPJFLMZVMDTI-CYBMUJFWSA-N 426.340 1.693 30 10 IDEE CCCc1nnc(SCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)n1N 813432119 SHINDLSCPKGRFG-CQSZACIVSA-N 431.547 1.448 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 895599021 IGPMFRGCVQVXMP-LJQANCHMSA-N 430.549 1.569 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 925932424 LJIYEXMPHNFHDT-WMLDXEAASA-N 433.486 1.735 30 10 IDEE NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccccc2)CC1 1084356218 SGPHKTUIQPPYHJ-UHFFFAOYSA-N 431.474 1.927 30 10 IDEE C=CC[C@]1(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CCCN1C(=O)OC(C)(C)C 1133683664 ZUWGHXAXKWVPAM-QGZVFWFLSA-N 437.584 1.506 30 10 IDEE Cc1nc(=NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n(-c2ccc(F)cc2C)[nH]1 1134200270 OZHSVOZENXHTIT-UHFFFAOYSA-N 428.449 1.122 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1152128864 PGWHTEYXUSVTND-UHFFFAOYSA-N 432.502 1.330 30 10 IDEE N#Cc1cccc(ONC(=O)c2ccc(I)cc2-n2cnnn2)c1 1171255241 CWOFDQXAMNLVKP-UHFFFAOYSA-N 432.181 1.862 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCOC[C@@H]1CNS(C)(=O)=O 1175080124 TYHGUGWOANQKQG-GJZGRUSLSA-N 426.564 1.127 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC[C@H](O)C(=O)OCc2ccccc2)cc1C(F)(F)F 1213506332 CCVWFEVXFPFEHL-INIZCTEOSA-N 428.388 1.960 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(C(=O)N4CCOCC4)c(F)c3)CC2)c1 1216841537 CLVQTYYFPAUFGT-UHFFFAOYSA-N 438.463 1.919 30 10 IDEE C#C[C@H](NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)[C@H]1CCCO1 1234636839 OYDFZRNGBGJASD-IXDOHACOSA-N 435.521 1.799 30 10 IDEE Cn1ncc(I)c1CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1234977918 WPGZGHXLQYHBKJ-LLVKDONJSA-N 431.278 1.970 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)N3CCC4(CC3)CC(=O)C=CO4)nn2)C1 1255104715 QDODURKCKVNRCO-UHFFFAOYSA-N 446.508 1.617 30 10 IDEE CN(C)CCN1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 1278180502 YZAXCDQWNITHGR-UHFFFAOYSA-N 440.504 1.255 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(CC)S(C)(=O)=O 1286279988 RUTNTJAEBNSLDR-HNNXBMFYSA-N 434.522 1.983 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286350440 DFJQQYKDVYPNJK-KRWDZBQOSA-N 431.562 1.761 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NC)c1 1286407568 MRVNSOPAIRNHEF-UHFFFAOYSA-N 430.468 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccco2)CC1 1286490363 RFFLNJOJMVKSHI-QHCPKHFHSA-N 436.516 1.750 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)CC1 1286546985 MATUSAQVXXTUMX-MAUKXSAKSA-N 425.493 1.233 30 10 IDEE C=C(C)Cn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1286598785 CYIXNCUYIALMDX-NRFANRHFSA-N 431.541 1.910 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286604672 AMPYDLIZYHKHMQ-IBGZPJMESA-N 426.521 1.760 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286782897 CJMNYHXYNKXVGH-WBVHZDCISA-N 443.460 1.379 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286783007 KJFQXFNFEJIUAM-OAHLLOKOSA-N 447.503 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286814872 HGMZJGPULJLDDP-OAHLLOKOSA-N 443.529 1.959 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1287010363 ITPORESNLVLZOK-LSDHHAIUSA-N 430.475 1.958 30 10 IDEE C=CC1(CC(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1296386086 BIJDRWBMHSJQLP-UHFFFAOYSA-N 438.525 1.391 30 10 IDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1297489520 MZUSOEFMYBZZIU-SFHVURJKSA-N 441.511 1.993 30 10 IDEE COc1cccc([C@H]2CN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CCO2)c1 1300408097 PZDIKQLXHWPMCR-UOFXHNCJSA-N 438.488 1.699 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1300479326 LSWNJYXDFKIOAF-OAHLLOKOSA-N 427.596 1.186 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1300501389 LKEFUTTYFDPGBD-QZTJIDSGSA-N 447.586 1.953 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1300537233 BOOPSYAQENUGDD-GOSISDBHSA-N 440.525 1.267 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)N(C)C 1300562213 IAEPGEROQBEDMR-NRFANRHFSA-N 446.577 1.899 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C(=O)NC 1300664032 KZEJOZZRYCUPMU-UHFFFAOYSA-N 435.532 1.989 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1300734215 UEZQCRBQWQOLSC-IAGOWNOFSA-N 440.639 1.319 30 10 IDEE Nc1ncc2c(n1)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1300906935 ZIBKJPSPTFDGLX-UHFFFAOYSA-N 428.518 1.243 30 10 IDEE CC(=O)NCC(=O)N1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 1302232153 FJWBGAGKEOAFNU-UHFFFAOYSA-N 434.496 1.948 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1302442079 KYIAELDGSSIJIR-LJQANCHMSA-N 435.532 1.790 30 10 IDEE CN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C[C@@H](O)c1cccc(C#N)c1 1307909276 PFCJFQDMLDGHQK-HSZRJFAPSA-N 434.540 1.803 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(OC)CC2)CCO1 1315014398 WNOJRIRKYWWSDZ-GQOXECLESA-N 438.532 1.973 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1358968231 CYMWUQHAASPZKZ-UHFFFAOYSA-N 448.527 1.502 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1359042123 SJSCMTVUPJBFJP-UHFFFAOYSA-N 448.527 1.324 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359101876 TVJCBJUXMLNOGD-NSHGMRRFSA-N 431.562 1.868 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359187144 CVYWUERFFHHKND-CABCVRRESA-N 441.540 1.363 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2)C1CC1 1359247029 QNTFRQBJZILKIL-LSDHHAIUSA-N 425.555 1.586 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1359308619 UFBLSEILJLNKCP-IBGZPJMESA-N 438.532 1.728 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCN2C(=O)CCNC2=S)n1 1442962081 CVCGFQXJIXNGBX-UHFFFAOYSA-N 437.576 1.236 30 10 IDEE CN1CCC(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)CC1 1443740905 HZOMTQDTZNDGKL-DLBZAZTESA-N 429.952 1.849 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](C#N)CO 1449520585 NYGMDVNMBVNTTG-JQWIXIFHSA-N 426.347 1.394 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1453768101 CQJCLWFEOZBYGO-UGSOOPFHSA-N 434.543 1.449 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)o1 1460717834 LIULIXFPZGMSPL-SFHVURJKSA-N 438.488 1.461 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1460822800 BAWXEXUNQKWJEB-NHYWBVRUSA-N 445.282 1.100 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 1469729332 KXUGTJPRQLGSSL-ZCNNSNEGSA-N 443.548 1.811 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)[C@H]2C1 1471265164 OXXHBRPHUBZYSU-NNZMDNLPSA-N 426.521 1.898 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(NS(N)(=O)=O)CC3)c2C#N)C1 1473704731 OWSFDMWDEAKOPZ-GFCCVEGCSA-N 425.580 1.331 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1479047763 IJXCJPGTKXHHPJ-VXKWHMMOSA-N 434.544 1.932 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1494721807 MNOJDDDLBNPIKZ-FVGNFYTDSA-N 441.536 1.252 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCc1ccco1 1496791074 XZJNICZJFJSRFX-UHFFFAOYSA-N 427.509 1.846 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1507630499 AHSCJBOOHSPGBI-OAHLLOKOSA-N 437.472 1.827 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1507649065 YDJFUKXCTPKMMA-GOSISDBHSA-N 443.511 1.180 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1507689264 GVEKFFQTQRXIEU-OAHLLOKOSA-N 429.529 1.424 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507711830 ZTILJRZMFUNMEH-IBGZPJMESA-N 443.523 1.892 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)n1 1507714517 QBFFECPEWZKLKW-JTSKRJEESA-N 430.553 1.598 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(OC)CCCC2)CC1 1507728351 XYVUUIOQELTULL-UHFFFAOYSA-N 442.589 1.984 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1507809518 VTFZITDXLYSJFO-VJANTYMQSA-N 433.553 1.685 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507873865 GEAWWRCVCPKMNH-CRAIPNDOSA-N 447.989 1.589 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1507987129 QIHABEJSPKGOCO-LJQANCHMSA-N 443.596 1.612 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC[C@@H]2C)C1 1508129360 DRIGLCZMBXTWFZ-VQTJNVASSA-N 429.569 1.642 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1508417109 HTSBELQNWQCJNL-CQSZACIVSA-N 426.477 1.552 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1516807810 GXWPPJRUXRZDNQ-UHFFFAOYSA-N 432.550 1.020 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCO[C@](C)(C#N)C1)n2C 1538844308 NTABZCUYXJQEAA-OAQYLSRUSA-N 447.561 1.677 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1539359485 IFNWYOWEEIOVMR-XDOYNYLZSA-N 448.483 1.702 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539608814 DGNUYFCFAZAKIE-GFCCVEGCSA-N 427.303 1.196 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 1539764913 BIOUIPYEWLMFMY-DOTOQJQBSA-N 432.550 1.303 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539798113 CSDOUFSIIPVQIO-QZTJIDSGSA-N 430.940 1.837 30 10 IDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 1540917136 OKRPGNNQWYTWFA-UHFFFAOYSA-N 428.566 1.308 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCc1ccco1 1541470436 NYYBEFBECAJRJT-UHFFFAOYSA-N 448.531 1.979 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1COc2ccccc2O1 1541908538 PDUCCLJPBVMECW-SOUVJXGZSA-N 434.522 1.467 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C3=NC[C@H](C)S3)CC2)s1 1543505821 ARUDCXBXRHQOOY-ZDUSSCGKSA-N 428.605 1.390 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 1554305922 PPXPXEMAVRTWSH-GOSISDBHSA-N 448.549 1.283 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1555739914 FGPRAXCUHILPET-QYZOEREBSA-N 432.569 1.853 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC[C@H]2CCOC2)c1 1555987830 OHRJLIGALSFPIR-GOSISDBHSA-N 429.546 1.829 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)CC2)c1 1565238304 MCNGFLOWBCMBNF-UAPYVXQJSA-N 425.514 1.790 30 10 IDEE O=C(CCCc1nnc(-c2ccccc2I)o1)NCC#CCO 1568142098 NAUSMZASZKBGQN-UHFFFAOYSA-N 425.226 1.776 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 1584112966 KFIPBSJEBUYKEI-OAQYLSRUSA-N 426.538 1.980 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1587631542 CYQFCMIEWCPKJT-YTQUADARSA-N 425.537 1.450 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1587783104 KLVHGJDGNCUBAH-LJQANCHMSA-N 447.609 1.709 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587904345 DVEPIMGZTOWFFE-INIZCTEOSA-N 446.519 1.496 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1588025216 WAVAXMMRXQGUFV-INIZCTEOSA-N 435.575 1.461 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@H]1CO 1588314998 XNDVAKTWCNJKRQ-KRWDZBQOSA-N 428.537 1.702 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1588976012 PEZKOUSQMTUWMA-IIBYNOLFSA-N 442.545 1.676 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1589216061 JCDPCQCJXYMQMZ-FRQCXROJSA-N 439.607 1.356 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1594491532 CYKIJYFRKFZLCR-GOSISDBHSA-N 445.612 1.822 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(c2ccccc2)C1 1595551073 LFSHNIFHKJNYSY-LJQANCHMSA-N 441.557 1.776 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1595569479 HWRQBWQWHCLCNH-JOCHJYFZSA-N 427.505 1.198 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CN(C)C2=O)C1 1595673503 HUHJUMLZWIAXIJ-QVKFZJNVSA-N 425.493 1.185 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 1598125844 KLGCVKXTUYCNHX-UHFFFAOYSA-N 435.527 1.924 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCCCC1 1611711782 TYSYFAIVFJDETH-WBVHZDCISA-N 440.570 1.356 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)CN1CCOCC1 1614028476 FQASHBXTMXTPGO-ROUUACIJSA-N 439.568 1.186 30 10 IDEE COc1cc(NC(=O)CCN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)cc1Cl 1620635015 AGXDIPYHCYLDJO-KPZWWZAWSA-N 427.910 1.556 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)CC1 1627015325 OMZQCHAATPRFIJ-UHFFFAOYSA-N 439.512 1.326 30 10 IDEE CC(=O)Nc1ccc(CN2CCC(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1627975429 XOTULHHBRMEMTK-GHVJWSGMSA-N 439.516 1.642 30 10 IDEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1629760860 WBBNILRIMVSNFQ-ZWKOTPCHSA-N 427.526 1.991 30 10 IDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1=O 1631331546 YUEIQORPMZSZED-IBGZPJMESA-N 431.496 1.792 30 10 IDEE Cc1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1S(=O)(=O)NCC#N 1632288385 YLFKKXMBSYWPBT-UHFFFAOYSA-N 441.557 1.834 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@H]1c1nccn1C 1632333718 RWKSPZFLVMPWDK-PMACEKPBSA-N 440.479 1.068 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1634099718 JIGMNBOTINBTEE-QFIPXVFZSA-N 440.456 1.206 30 10 IDEE C#CCC1(O)CCN(C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)CC1 1639013617 HYJSBWKPYWEGPL-UHFFFAOYSA-N 432.546 1.403 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CCO2)cc1 1639637738 FEZONXVPPQZVTG-RTWAWAEBSA-N 426.517 1.171 30 10 IDEE CSCC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nn[nH]n1 1646037546 VHVSBYBLEJSFPE-ZDUSSCGKSA-N 436.339 1.881 30 10 IDEE CC(C)[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1 1652133833 FKRDBLQXCIGEHN-FQEVSTJZSA-N 440.500 1.737 30 10 IDEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1653457757 QMTIJFOFUZYQCY-SFHVURJKSA-N 447.557 1.323 30 10 IDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1659364853 VGWOWGOUYAFRDI-ZWKOTPCHSA-N 428.499 1.419 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1C(F)(F)F 1663904259 FUABLUFUXJLLOI-UHFFFAOYSA-N 434.392 1.959 30 10 IDEE Cc1cc(N2CC[C@H](NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2=O)n(C)n1 1679810591 FSMHPDSMHVEICU-FQEVSTJZSA-N 435.532 1.669 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 1683312024 GNLGNHDUTIGSLG-HIFRSBDPSA-N 427.885 1.416 30 10 IDEE CN1CCC(Oc2ccc(CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)CC1 1686423767 FMDNJQMHRIFEMK-UHFFFAOYSA-N 438.488 1.060 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1689955490 JSQTWEMGKXYBBL-INIZCTEOSA-N 427.505 1.527 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690003259 JAHGABSJQKPCRD-JXALWOEJSA-N 443.592 1.891 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cc(C)nn2C)CC1 1690110590 RZMBKEJRXZZXAN-UHFFFAOYSA-N 446.559 1.993 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1690156518 XPMGOXPIKVGSGA-LBPRGKRZSA-N 446.002 1.278 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1690597241 NIXQEJVEEMNPMS-MSOLQXFVSA-N 446.577 1.759 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690665364 AVTAGEGUMLFGKI-HNNXBMFYSA-N 433.944 1.453 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690669727 NDZCRWFHBKHPOH-UHFFFAOYSA-N 440.552 1.753 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C1CCC2(CC1)OCCO2 1690672840 FSNGLSWYDDUKAV-UHFFFAOYSA-N 426.521 1.688 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C)c2ccccc2C1 1690722784 VMWNXWLYNYFQPQ-UHFFFAOYSA-N 441.561 1.736 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](OC)C(C)(C)C1 1690732288 YQFFKHMRWQOZKD-ULQDDVLXSA-N 442.582 1.464 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1692781586 HWIWIAOCSTVJKA-SUNYJGFJSA-N 439.517 1.226 30 10 IDEE CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1694395015 BWZFKLAHHCZVOU-VQTJNVASSA-N 437.548 1.848 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705522421 FDBNDWSTCVCSRY-UHFFFAOYSA-N 434.500 1.660 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1705523613 UCONLUJTQXCPLE-OAHLLOKOSA-N 428.924 1.942 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705560065 IBXOSQXRTMKNFA-ROUUACIJSA-N 435.594 1.821 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705561931 WZEDOQPUDVWQSY-LSDHHAIUSA-N 435.516 1.912 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1c(C)cccc1C 1705620762 FUCJCRQFNGEVCX-UHFFFAOYSA-N 438.532 1.856 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705652479 AVJVPZZRCISRSU-KRWDZBQOSA-N 432.594 1.525 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCS(C)(=O)=O 1705706170 QNIBNRVNFFMTDR-MJGOQNOKSA-N 436.582 1.602 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705724598 AJGRYOWHMBKQFN-QGZVFWFLSA-N 444.561 1.625 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(C)=O 1705868492 PPGAUEZYUARUON-INIZCTEOSA-N 437.591 1.961 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1 1705876129 PRCCIFFJRJZRRW-BZSNNMDCSA-N 439.582 1.605 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705894747 JRZXKCHASRFBEI-MRXNPFEDSA-N 442.568 1.474 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1706668972 GXPVVKMKIIGXKJ-XMSQKQJNSA-N 432.569 1.779 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCO 1706748521 JAOWBPAPMPMCBV-HNNXBMFYSA-N 425.493 1.329 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1722297310 YXFIPHAOPUCTFA-FCCDEINASA-N 439.582 1.274 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722359436 SUHYOXJSQYTVRG-ZDUSSCGKSA-N 435.472 1.386 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)NC(C)C)CC1 1722443849 CHZURBYQILWCDY-INIZCTEOSA-N 438.598 1.085 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1722468391 NLOGCHJGLXVWRW-OAQYLSRUSA-N 444.557 1.886 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722697112 WDUYNQIINCKGKP-SFHVURJKSA-N 425.537 1.191 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1722713340 AQXQOZVNCVYFJQ-WZONZLPQSA-N 443.548 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1722725696 QSADJSRJDXARHI-IAGOWNOFSA-N 437.566 1.263 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1723067888 ZJSVOPHLVSAKOX-QMWCZEAPSA-N 443.552 1.669 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1723772383 ZDIYWDDAGOBYLG-AWEZNQCLSA-N 442.915 1.677 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1723911968 QFKPDYWYVOTOBK-QAPCUYQASA-N 430.534 1.741 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1724010677 SJJYTKGRENABOS-CABCVRRESA-N 434.566 1.225 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1727650784 ABFIWMVQWIDPLH-UBZKEQBWSA-N 449.515 1.495 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1729424097 XJPJFORCGSVFCE-XUTLUUPISA-N 432.488 1.841 30 10 IDEE C#CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740597781 YQPLVWBDNYGPNX-HXUWFJFHSA-N 439.582 1.204 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740623617 XVJBMGONGOTZMD-INIZCTEOSA-N 430.534 1.057 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1740661278 XKRRIBOCLPRGAD-CEXWTWQISA-N 443.548 1.927 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCOC[C@H]2C)CC1 1740706409 XAZYSXCLOFQFHJ-GOSISDBHSA-N 430.597 1.553 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1740710362 YGDWSJLIMFNJIB-NVXWUHKLSA-N 441.623 1.508 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CCC(N)=O)CC1 1740763924 RPXVSVDJFNQDNM-AVRDEDQJSA-N 444.580 1.864 30 10 IDEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC)C1CC1 1740910678 IHLYHFOAVLNUIX-UHFFFAOYSA-N 429.506 1.298 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1740964649 SNKZJYLMUFZXHO-KRWDZBQOSA-N 435.912 1.664 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740995454 MMOWMDUFGZKEQV-APWZRJJASA-N 428.555 1.145 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748808596 LXLIBZLXAJESAR-ICSRJNTNSA-N 442.541 1.926 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1748814385 FDOQZIOPKHZWTG-MJGOQNOKSA-N 445.545 1.598 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748852374 CQOBTHUIPZQOBO-SFTDATJTSA-N 446.534 1.683 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCOC(C)(C)C2)CC1 1749015101 RYANCAQNXICMNM-UHFFFAOYSA-N 444.624 1.943 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1749020377 QVVCHRIQTOGLNM-UHFFFAOYSA-N 441.561 1.739 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1749034342 ZYLPMQYBBDGUFF-MRXNPFEDSA-N 429.525 1.456 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749038863 MJHHWVPZWGKIJU-AEFFLSMTSA-N 448.618 1.349 30 10 IDEE COc1ccccc1OCCN(C)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1749099404 BQZKVAYUBKZTIV-VXPUYCOJSA-N 426.477 1.637 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749368325 GKZOCVRYIAEVBI-IKGGRYGDSA-N 435.594 1.745 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749427879 VXZJUFXQCWDHCA-SJORKVTESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC 1749668588 APKUCXWNJCTTAY-INIZCTEOSA-N 449.602 1.841 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682581 VVVVKJSLKONFEX-OAGGEKHMSA-N 434.541 1.576 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1749683601 ZEXVYXHUQWYTBW-GOSISDBHSA-N 441.492 1.667 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CCCO 1760173107 JXAXYMJAUKQOKC-GOSISDBHSA-N 431.562 1.265 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1760244108 LYZWFIQLSQXPDK-QFIPXVFZSA-N 429.521 1.072 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760249022 UHEOVKVSYVTVOO-HOCLYGCPSA-N 428.562 1.945 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C)c(C)s2)CC1 1760268030 ATPOLLNWLMUWHN-UHFFFAOYSA-N 438.561 1.766 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760272535 NPMNLBZWOPJTRX-KRWDZBQOSA-N 443.577 1.449 30 10 IDEE C#CCSCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1760286854 XFRRSXUYVGYIDL-BBTUJRGHSA-N 436.578 1.681 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760360182 UECDYODRQOMTLG-XMSQKQJNSA-N 433.553 1.768 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760421054 CCAJNQZQZVEKOE-UHFFFAOYSA-N 445.612 1.907 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)c2cc[nH]n2)C1 1760539426 NWFFHCMQRRIYDS-SFHVURJKSA-N 437.504 1.888 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCCC1 1761236120 XDRUUHZAMSIVLQ-UHFFFAOYSA-N 438.536 1.315 30 10 IDEE CC(C)(C)n1ncnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1761548132 GQTKJGAUCMOSMB-JOCHJYFZSA-N 433.520 1.913 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)n1 1762457946 BNMQTIWMQMJSFB-XLIONFOSSA-N 430.582 1.306 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCOC1 1767388955 HQIHJZHCMVOXFG-HSZRJFAPSA-N 441.532 1.980 30 10 IDEE CNS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1767862736 YKCNFGXICSQQHU-KRWDZBQOSA-N 430.534 1.026 30 10 IDEE COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769560570 OTLPUAQTTYXZPP-QFIPXVFZSA-N 427.553 1.857 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1771530819 UYKFDVIVGXRVFU-JTSKRJEESA-N 439.495 1.884 30 10 IDEE N#Cc1cccc(OCC2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)n1 1849829231 SQTPRHIBHFHSFA-KRWDZBQOSA-N 432.546 1.775 30 10 IDEE CC(C)(C)N1C[C@@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1=O 1851234451 IGAYVWOSNNGUGN-ICSRJNTNSA-N 429.517 1.828 30 10 IDEE CS(=O)(=O)N1CCN(CCNC(=O)c2cccc([C@@H](C#N)c3ccccc3)n2)CC1 1853371195 AUIOIJQQPCIKPJ-SFHVURJKSA-N 427.530 1.044 30 10 IDEE C[C@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854438420 STGVZRDNXLLPNI-HNNXBMFYSA-N 437.493 1.820 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3COc4ccccc4C3)C2)CC1 1857053779 VOPNZCGAKVDQGG-QZTJIDSGSA-N 431.514 1.178 30 10 IDEE C=CCNC1=C(c2c[nH]c3ccccc23)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863814461 BIHQSYVWRUOVIW-UHFFFAOYSA-N 436.493 1.871 30 10 IDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 1870142744 KRIZIRHDEPWEER-GFCCVEGCSA-N 443.423 1.721 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(N)=O)cn1CCOc1ccc(OC)cc1 1870669555 QXDQPGKRZWOTAU-UHFFFAOYSA-N 427.501 1.974 30 10 IDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711995 YLHZTKOPPIVMDF-UHFFFAOYSA-N 441.492 1.107 30 10 IDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1nc(C)c(C(=O)OCC)s1 1872642304 FHHXOARHFHPPOC-UHFFFAOYSA-N 449.489 1.772 30 10 IDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCC(C(N)=O)CC2)nc1C(F)(F)F 1872800464 UVLAXHGWNYRGMH-SNVBAGLBSA-N 432.424 1.712 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cncc(N4CCCC4)c3)CC2)CC1 1889422212 NPENBNZSOOJEQV-UHFFFAOYSA-N 425.577 1.554 30 10 IDEE COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890243162 YMIPIHXQLDTPPS-UHFFFAOYSA-N 430.505 1.475 30 10 IDEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC(COc3nccnc3C#N)CC1)CS2 1891306727 ASJOONBSVQUJRR-OAHLLOKOSA-N 426.502 1.568 30 10 IDEE N#Cc1cc(S(N)(=O)=O)c(I)cc1I 2055364669 JPGZTNAOZSPBAP-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE Cn1cc(Br)c(S(=O)(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)n1 2121895951 KWTHKTNXVAFVME-PEGIJTEDSA-N 432.149 1.895 30 10 IDEE NCC#Cc1ccc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)nc1 2158597065 XSQVMHJIOPPNRQ-UHFFFAOYSA-N 426.498 1.600 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCN)cn1 2164488997 ZOMMLZXSHHVPMI-FQEVSTJZSA-N 430.461 1.158 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)B1OC(C)(C)C(C)(C)O1 2247962555 PHJWEGRTFQRAAE-HUUCEWRRSA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)N=c1cc(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[nH][nH]1 2248402491 XSBPXUFGKFBBCB-UHFFFAOYSA-N 436.303 1.004 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255526840 AHSMFGMBZBBCIF-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255610524 OEZXSCOBXGWMQY-CYBMUJFWSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255613394 CAQYLOSJKJNEFC-ZSEKCTLFSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255841649 GBOHRXLHCBKXQX-CABCVRRESA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256061353 KJDCBMJNFICSML-OKILXGFUSA-N 432.330 1.809 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267183297 MGRQYMSWFANFHB-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267477892 QTVIIJLRZYFSBL-OAHLLOKOSA-N 449.357 1.729 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2267496759 DDPAVHQTKBVVQK-ROUUACIJSA-N 436.365 1.970 30 10 IDEE Cn1ncc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267509466 WITZQWVQTQHNMF-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267510183 HAQASDZCFKOJAW-HZPDHXFCSA-N 446.357 1.943 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccn1 2296613072 WZOZDLNFHXZSTM-IBGZPJMESA-N 425.489 1.566 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 2296616239 HEXGIFODQMCZAE-LJQANCHMSA-N 425.489 1.186 30 10 IDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(O)c1 2330778416 XMYNNNMNRXDICF-UHFFFAOYSA-N 448.549 1.948 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2334263765 HKXIGNZANOPDEJ-OFQRWUPVSA-N 446.357 1.847 30 10 IDEE C#CCN1CCC(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364179337 ZOPZNWSSHSYMEA-UHFFFAOYSA-N 431.558 1.860 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 460557051 UTGWOJWGJUFRIP-ZWKOTPCHSA-N 441.598 1.973 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 466527856 MGUXDWQVKNQLDG-LSDHHAIUSA-N 426.912 1.896 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCO[C@]3(CCOC3)C1)CCCC2 469527263 MLAOCNKKYBSAPH-UZUQRXQVSA-N 428.533 1.847 30 10 IDEE COCCN1CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1=O 470538053 NVVRCZWSSNHRBK-UHFFFAOYSA-N 427.505 1.982 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 485934294 QYQLMSRNRQWHAU-INIZCTEOSA-N 447.919 1.663 30 10 IDEE C=CCc1cc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc(OC)c1OC 489295815 XZGUYHFRVPRZII-QGZVFWFLSA-N 425.551 1.998 30 10 IDEE Cn1cnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)n1 502526300 CGSSXZXUNJDDSY-UHFFFAOYSA-N 436.497 1.500 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 503624538 JRKXITGXQQGWKF-UHFFFAOYSA-N 446.573 1.768 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(C2CC2)CC1 509012977 NWFRWVKMLRWAET-UHFFFAOYSA-N 435.576 1.707 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 511550706 ACPRRCGMAZSXCQ-XLIONFOSSA-N 433.940 1.241 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 513190165 QOSPPOJYCWXTDL-UHFFFAOYSA-N 445.932 1.583 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 515296052 WEKYSGDIFXNMOF-AWEZNQCLSA-N 428.470 1.085 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1Cc1ccccc1 531683957 QJBHFBJQJPXAST-UHFFFAOYSA-N 437.521 1.727 30 10 IDEE COC(=O)c1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 534606649 GUHYXWONEGMYJC-UHFFFAOYSA-N 427.482 1.420 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CCCSC 541796216 SVYWXNRCRJZOHU-UHFFFAOYSA-N 432.527 1.129 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 543085783 WCNXDPXMNNHEDE-SFHVURJKSA-N 434.504 1.191 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N=c2cc[nH]cc2I)CC1 546839318 ZEYZNEFJIXMQBC-UHFFFAOYSA-N 434.241 1.729 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC2CC2)C1 549685131 CIMHYTVEFOEBDO-ROUUACIJSA-N 439.582 1.583 30 10 IDEE C=CCn1c(O)nnc1S(=O)(=O)Cc1nnc(-c2ccccc2Br)o1 551231856 HTNZVNPDYXPMRW-UHFFFAOYSA-N 426.252 1.956 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 558996972 ZNTSYGHZIABLFQ-INIZCTEOSA-N 428.541 1.919 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 559002868 QMWLTIDVBHCYCW-UHFFFAOYSA-N 426.569 1.763 30 10 IDEE CON[N+](=O)CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 585088909 JUGSAEJPMDSSJI-YWZLYKJASA-N 449.509 1.460 30 10 IDEE Cc1c(I)cn(CC(=O)N2CCOC[C@H]2C2CC2)c(=O)c1C#N 589257562 VRNAKJHSAKLPFG-AWEZNQCLSA-N 427.242 1.270 30 10 IDEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCN(c2ncccc2C#N)CC1 610195501 JRPJZDAYLXVEAT-UHFFFAOYSA-N 425.514 1.764 30 10 IDEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1 615454858 DGQLZMNXGWXHCL-UHFFFAOYSA-N 433.921 1.620 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 680307513 DJCXDAZUUMEBOV-DNVJHFABSA-N 439.604 1.917 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 728584097 UIKWXJGPPDLOEP-UHFFFAOYSA-N 426.470 1.055 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 731840151 VLZTXSYRIZTWCR-CQSZACIVSA-N 444.962 1.387 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 731974174 BDWJRRZLDPHTHB-XXHFXVPZSA-N 441.513 1.906 30 10 IDEE CN(C[C@@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1)C(=O)OC(C)(C)C 732464782 AELKTGASAYTQKP-HEWTWTGNSA-N 435.525 1.801 30 10 IDEE Cc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)c1NS(C)(=O)=O 732668988 DJCMVZJDZASLLI-INIZCTEOSA-N 426.564 1.344 30 10 IDEE C=C(COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OCC 734028254 HPGLXAGJDIUCSV-CQSZACIVSA-N 426.447 1.658 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccccc1C 735069721 ZYZDSZYIOFRMAG-UHFFFAOYSA-N 435.553 1.843 30 10 IDEE COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 746878538 XJQUZPVJZKNRKK-UHFFFAOYSA-N 445.497 1.526 30 10 IDEE Cc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC[C@H]2CCOC2)c1 755449377 VEHCUKURQZLEMM-INIZCTEOSA-N 443.525 1.765 30 10 IDEE C#CCNS(=O)(=O)c1cccc(-c2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)c1 762276441 GLQUGQBGVAPTOQ-UHFFFAOYSA-N 438.513 1.462 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)c(C)o1 767953128 ONVXDACUIUSSGN-KRWDZBQOSA-N 429.542 1.574 30 10 IDEE COCCc1cc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 769319687 SLSBUUHGIKSDAZ-INIZCTEOSA-N 433.534 1.701 30 10 IDEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 774059041 SKMDEGZLOLWCBB-YJBOKZPZSA-N 441.575 1.559 30 10 IDEE COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)cc1 782245859 DNOYPNUPJLQFDF-UHFFFAOYSA-N 431.473 1.786 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)n1 788820549 SJYLQNPHWZFTAJ-JOCHJYFZSA-N 439.491 1.859 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2C[C@H]2C2CC2)C1=O 797426784 MKJBDFTUQNJDJX-RCCFBDPRSA-N 443.573 1.583 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 798107951 SONPHGYUHQDQGM-WCQYABFASA-N 438.330 1.192 30 10 IDEE CCn1nc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOC)c2ccccc2c1=O 802494300 AMDJVWAHELFPDT-KRWDZBQOSA-N 448.531 1.498 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccs2)CCN1C1CC1 802700747 BDKVYSWMSOFNCC-HOCLYGCPSA-N 432.575 1.467 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 804446280 CKHZRAXIXIZPKA-BBJJLJPOSA-N 437.544 1.322 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1 858004918 SDESVICQPHUWJE-ZPUOCTKUSA-N 438.484 1.593 30 10 IDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 917034215 PCUNNOGQHBLDGL-MTTLDHAHSA-N 440.500 1.563 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1136518217 BBRAOVBJASEZBT-MRXNPFEDSA-N 431.493 1.659 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H]1c1ccnn1C 1141255925 SSJQPTDAXTZQQI-RTWAWAEBSA-N 440.479 1.068 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1 1144429453 VCOCZEFSQCVFLU-UIJGKTELSA-N 445.523 1.940 30 10 IDEE O=C(c1cnn(C[C@H](O)CO)c1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605553 UIUMENRPVSMORY-GUBZILKMSA-N 437.287 1.479 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1286295302 IIMIGQJEUHBLMR-MJGOQNOKSA-N 447.561 1.456 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC(C)C 1286306564 VJXOYRXUOBFECD-GVDBMIGSSA-N 425.599 1.982 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1286386095 UTXOPMABKXUSSE-KURKYZTESA-N 430.578 1.877 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1286397035 REZWAZLVCQLZGS-KRWDZBQOSA-N 449.602 1.997 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1286433885 OJAGYYYZUAHKNT-UHFFFAOYSA-N 432.484 1.050 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1CCOC1 1286466919 LRPWYOZBUXRWCB-IBGZPJMESA-N 439.564 1.965 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCOCC(F)(F)F 1286629087 JIBXUSMVEAALEQ-GFCCVEGCSA-N 446.879 1.310 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1286699629 FZRRSEQJUBFZTO-LJQANCHMSA-N 437.610 1.695 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1286788910 JXGRBUZPOPGWRK-JOCHJYFZSA-N 427.505 1.175 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCOC1 1286815150 MWXDIHLVLQTHPW-OAHLLOKOSA-N 435.506 1.927 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1291325291 HMJIKYRZVXKIGE-AOMKIAJQSA-N 425.537 1.709 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1295542930 FKIUBQSYDUPJQJ-GOSISDBHSA-N 439.564 1.842 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1 1299654473 KCRFIKYQODBAIY-DLBZAZTESA-N 433.530 1.822 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1300371051 LZVWYFWUJVOWHF-OAHLLOKOSA-N 440.470 1.709 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300497416 BDIXCQSCIHOJQZ-HXUWFJFHSA-N 444.532 1.981 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1F 1300671592 LNFYBEGSIZAZJO-INIZCTEOSA-N 438.500 1.787 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)n1 1300681629 WADFFVKYEHRGLB-LJQANCHMSA-N 448.487 1.225 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCCCC2)CC1 1300685543 QEKXLOUIDWBLHZ-QHCPKHFHSA-N 431.581 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOCC(F)F)CC1 1300726740 OXZSNZZHWJRVDN-UHFFFAOYSA-N 432.475 1.511 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1301091820 OATSNFDOBWKUDR-INIZCTEOSA-N 442.486 1.820 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1301422868 ZWZAHADXIXUBAM-UHFFFAOYSA-N 439.520 1.355 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(F)F)c1 1301497707 BBWAVRVSCNLBSA-OAHLLOKOSA-N 434.447 1.769 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301499594 CLEMYHRCIGSFSG-DLBZAZTESA-N 448.568 1.920 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301596676 VRLSEWTVDNDAJO-IBGZPJMESA-N 439.607 1.448 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1301967752 GIUNLWIRVAAFTO-IAGOWNOFSA-N 436.582 1.569 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2F)nnc1N1CCC(CO)CC1 1303096226 QDBNBXOQGGKLRF-VZCXRCSSSA-N 440.479 1.819 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1303639442 FDWFXUXSGUPBMI-ZDUSSCGKSA-N 426.493 1.825 30 10 IDEE C#CCOc1ccc(CNC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1312735961 GTDOUMQXACASLH-UHFFFAOYSA-N 446.485 1.727 30 10 IDEE CCO[C@]1(c2nnc(N(CC)C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1314092224 IOBSMSLHISCCDI-RPBSFSNWSA-N 432.525 1.691 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1314528020 FENYSIPFBPJOBF-MRXNPFEDSA-N 441.517 1.499 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1315620997 CEVLKCWHTFKLJD-GOSISDBHSA-N 440.401 1.998 30 10 IDEE COC[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1315945489 JWJAHHGMABMXMV-QBEKEKFNSA-N 444.536 1.389 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCOCC1 1358885961 UZJSORVUGRCQQD-IAGOWNOFSA-N 445.593 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OC)CCCCC2)CC1 1359040288 OFNWCPONBRUNAV-UHFFFAOYSA-N 444.580 1.731 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1359049543 RMWAHIILOJYZRW-ZBFHGGJFSA-N 437.595 1.330 30 10 IDEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359118171 RMNZEBIMVQJMAB-IUODEOHRSA-N 438.326 1.982 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1360312435 RPXYRMNPNVTBTR-HZPDHXFCSA-N 432.550 1.758 30 10 IDEE C=CCn1c(SCC(=O)N2CCOC[C@H]2CC(N)=O)nnc1-c1ccc(Cl)cc1 1451661515 ZVEGQVWKNSOSBU-OAHLLOKOSA-N 435.937 1.979 30 10 IDEE CNC(=O)CN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1456040409 MLMHCMLJBWKQEW-JQHMZKTJSA-N 433.553 1.054 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 1464120232 GLQYCHBTCVTKGU-CALCHBBNSA-N 434.562 1.334 30 10 IDEE C#C[C@H](NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccc(Cl)cc1 1470661960 CZZMUZVWHXPCMZ-HNNXBMFYSA-N 443.895 1.490 30 10 IDEE COC1(C(F)(F)Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1504010146 HYWSDJAMPWEWSZ-OAHLLOKOSA-N 440.495 1.941 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CCO1 1504724009 YSCYTYWUHUBNIW-VQTJNVASSA-N 427.505 1.864 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N(C)C 1504883140 DZVVCXJQWCROFW-UHFFFAOYSA-N 438.330 1.880 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC(=O)N2)CCO1 1505321803 XDJRUPUYKBCWIB-HUUCEWRRSA-N 431.294 1.715 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1507635680 YNTIJORHLCCGON-HXUWFJFHSA-N 438.557 1.896 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1507642304 RXZJLVPARHIXHQ-OAQYLSRUSA-N 436.578 1.605 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(N(C)C)CCSC2)CC1 1507724810 XGQGPHOYVVGWRC-JOCHJYFZSA-N 425.606 1.456 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507946566 RZEILHVZPSHEGI-CQSZACIVSA-N 436.538 1.490 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1)C1CC1 1507993086 NUNWPYNCHDMTGL-DOTOQJQBSA-N 441.623 1.909 30 10 IDEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1508515931 ZHXIYRKPFUTANW-UHFFFAOYSA-N 434.552 1.846 30 10 IDEE CC[S@@](=O)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516878593 SIVXFXMFBQCDBW-WJOKGBTCSA-N 437.529 1.567 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2-n2ccnc2)ccc1F 1526383332 UFONZRDSBXPSJY-UHFFFAOYSA-N 443.460 1.827 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1539013279 IIXYCUVMEUWGRV-NVXWUHKLSA-N 447.536 1.136 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539045323 BUCDWYFBFMMIJT-RTBURBONSA-N 444.580 1.685 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539103179 QBAYYPSJVNBZAA-UHFFFAOYSA-N 444.967 1.897 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539213306 XSWSANPZIJDIJI-KRWDZBQOSA-N 442.545 1.872 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1539361866 HPARIIBVIIZGSW-IAGOWNOFSA-N 428.562 1.824 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1539420482 FDBSPIJEOYBXEV-UGKGYDQZSA-N 428.537 1.564 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)CC1 1539459606 LOCNNSBJPAQFTA-UHFFFAOYSA-N 431.285 1.143 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1539490689 ZJXVYNUZSIKIHJ-MRXNPFEDSA-N 430.578 1.376 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1539516823 DPBHJAXAWAVAOX-WBVHZDCISA-N 449.602 1.993 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1540914870 DVOHQTKXPBFHTJ-DLBZAZTESA-N 443.639 1.857 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1540923868 LEVXSBOCMDIFFG-GOSISDBHSA-N 434.610 1.793 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCC1 1554286315 CGKWIZNDPNVJGG-UHFFFAOYSA-N 447.561 1.905 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCS1(=O)=O 1555557783 CKXRPHLSQKBUJL-IRXDYDNUSA-N 425.555 1.853 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C(=O)/C=C/c1ccc(F)cc1 1557176598 HFOSUVWAJGQSLB-DHZHZOJOSA-N 435.433 1.753 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2-c2noc(C3CC3)n2)CC1 1563397415 DONRVZDIRNDBDU-UHFFFAOYSA-N 430.490 1.231 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 1568994845 FUBVUPBDJALILK-AHKGRUIUSA-N 438.484 1.095 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588011909 OHHRLLCMEWMTAP-MRXNPFEDSA-N 425.459 1.472 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1588050879 WWYFYSYZWGCYNX-OAHLLOKOSA-N 443.558 1.483 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588073808 FGBCZBMDNRNNNW-UEXGIBASSA-N 438.594 1.944 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 1588260916 BVGUEMSAXUNZLR-MRXNPFEDSA-N 433.306 1.525 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1588646096 GRKSELUAAVIHHQ-YADHBBJMSA-N 439.560 1.942 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1588930530 YNXCCMVGJPKYAQ-GWJPWWOOSA-N 431.581 1.935 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1595613889 KGEKDBOGHBAEHW-FUHWJXTLSA-N 425.489 1.842 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1595721296 DDFGHVWFSJQAOP-AQNXPRMDSA-N 446.596 1.506 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595824065 WFNXLQXSNXGAHO-ZWKOTPCHSA-N 446.529 1.778 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613242548 XLYFESILXDVGHO-IAORGOLBSA-N 441.536 1.519 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1615884655 DRHHHPFYSDLSCL-QHCPKHFHSA-N 444.628 1.964 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617319830 KOORQPFLZWFAAJ-AWEZNQCLSA-N 446.533 1.142 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC(C)(c3nnc(C4CCOCC4)o3)C2)CC1 1620437589 IUBSKZHDOICZQD-GOSISDBHSA-N 430.553 1.229 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)OCC 1624304684 YLPICHSRLFCNCS-HZMVEIRTSA-N 428.551 1.110 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1633684905 JZLRHJFNINSQDW-UHFFFAOYSA-N 449.334 1.498 30 10 IDEE C=CC[S@@](=O)(=NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 1636975137 AGGMKXLSLFBLQZ-POXGOYDTSA-N 435.527 1.692 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1644226148 JUSUTOQWSQTUGB-UHFFFAOYSA-N 428.489 1.680 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)[C@H](O)c1ccc(C#N)cc1)C2 1645432189 CKWYLTIOZBNQOC-OIMFZILRSA-N 443.500 1.897 30 10 IDEE COc1cc(/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(Br)c1O 1653068880 GVJHLQVWWMBAKW-CTPGFWARSA-N 441.303 1.573 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)cc1 1653640330 VIKBVMVOKUZMAQ-CYBMUJFWSA-N 439.335 1.855 30 10 IDEE Cc1cc(I)cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1653762872 GQOZYJYBNLEEPV-UHFFFAOYSA-N 436.209 1.431 30 10 IDEE COC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@@H]1C(=O)OC 1655079872 PIGPTFCJOYMHCS-OALUTQOASA-N 438.484 1.798 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)n1 1663733773 BCAVIUQTGJZAFC-UHFFFAOYSA-N 444.435 1.854 30 10 IDEE C=CCc1cc(CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc(OC)c1OC 1667711106 HUXYKDWLJAFDHP-UHFFFAOYSA-N 449.533 1.372 30 10 IDEE CC[C@H](CN1CCOCC1)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1684232102 KUOAHLYEDOYJBL-QGZVFWFLSA-N 443.527 1.808 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)C1CC1 1689835780 SKLXFGDOUABQDS-CQSZACIVSA-N 427.505 1.955 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1689930018 JLJWLKVYGLGYNO-MRXNPFEDSA-N 437.566 1.651 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(CC)S(C)(=O)=O 1689949851 ULDSNMGEWHTKAH-UHFFFAOYSA-N 443.371 1.777 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1690019565 LVCMNAXXWSYFGK-QFIPXVFZSA-N 435.528 1.976 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCO1 1690063689 MCWSOWDYGQALAD-SFHVURJKSA-N 429.546 2.000 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCS1(=O)=O 1690095729 ASLFCMIIQHORLQ-GOSISDBHSA-N 447.517 1.907 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCCC)CC1 1690117759 ULPJZPUFDVTTIW-UHFFFAOYSA-N 426.521 1.244 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690124432 LCNCBZCOUJRQJW-ZWKOTPCHSA-N 432.569 1.698 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(C)(C)O)CC1 1690134799 GIPJCVLAGJTNQU-HDICACEKSA-N 446.596 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1690665849 RIMQWXWEBKXIPQ-QAPCUYQASA-N 437.508 1.227 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1691005961 GZWCBCLFDTYVDI-INIZCTEOSA-N 439.545 1.750 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nnc2n1CCCCC2 1694352683 DVOMJCPRLZFOQO-INIZCTEOSA-N 441.540 1.291 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696514609 GWZGRBQVXXHLJB-SSEXGKCCSA-N 425.518 1.587 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)cc1 1698489649 YSDHKLWCLBXOAO-FQEVSTJZSA-N 449.515 1.764 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1698492808 FXWYQNVFVOKOEU-OWCLPIDISA-N 428.459 1.785 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1705480322 TYJHNCVOSPNXCU-LAUBAEHRSA-N 447.561 1.367 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1705567300 VXGIAWUQARZGOW-GOEBONIOSA-N 445.574 1.566 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 1705570377 MTGCGDYYLDTLGC-IBGZPJMESA-N 441.557 1.642 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1705582468 BMEGXRCLWVPPDC-SJORKVTESA-N 435.500 1.644 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705612829 PUQJLHXHCVNBLY-ROUUACIJSA-N 441.557 1.693 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCNS(=O)(=O)CC 1705624905 AJOGPAYQEVSJFU-UHFFFAOYSA-N 430.509 1.991 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CC2)CC1 1705636377 HRHDIWKPUUUPKY-UHFFFAOYSA-N 434.953 1.326 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2nnc3n2CCCCC3)CC1 1705643811 ASHLZANYYAXDSC-UHFFFAOYSA-N 438.580 1.928 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC)CC1 1705700471 UCNXJDZUAGBRKY-WMZOPIPTSA-N 427.509 1.995 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705830096 JAEGFCOYKFRUDZ-FQEVSTJZSA-N 446.596 1.509 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705908166 KDEXKNPFVRYZOW-HSZRJFAPSA-N 438.532 1.438 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1706077205 GWJAVDBXTYKCBJ-IBGZPJMESA-N 438.580 1.327 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1706743108 CIDFFBJMUKDTBZ-CQSZACIVSA-N 433.472 1.997 30 10 IDEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CCC1 1710322952 UIKCLGZYLOIENK-ULQDDVLXSA-N 432.525 1.037 30 10 IDEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1710799860 VIJSTAFZJLTFNM-SFHVURJKSA-N 439.520 1.759 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1711960261 BCVROYCCEUYXIL-OAHLLOKOSA-N 434.522 1.010 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1712454312 LQAGJGSPTZCMSH-HNNXBMFYSA-N 438.941 1.643 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722290578 YHGZCBSWXVYYCN-BQFCYCMXSA-N 431.566 1.341 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2CCN(C(C)=O)CC2)CC1 1722445720 WWAHJUYMUMIMAL-UHFFFAOYSA-N 449.559 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(C)n2)CC1 1722447487 IQPYVAIKJQHNHK-QGZVFWFLSA-N 441.561 1.203 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1722473663 GZNQNDWSWLLORC-BRRBHNQVSA-N 426.608 1.720 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)Cc1nc(CCOC)no1 1722481525 BLLLIFSWLBQVOB-UHFFFAOYSA-N 435.286 1.852 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1722538498 YGLPOJVEPBKARE-QGZVFWFLSA-N 439.582 1.125 30 10 IDEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722597772 RABZTHGNVZGBKM-KRWDZBQOSA-N 439.476 1.357 30 10 IDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722686360 XIQPOAAJIOPNLK-GOSISDBHSA-N 430.553 1.646 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1722693547 RYMOSEKUNUSPSQ-OAQYLSRUSA-N 444.467 1.715 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1722748620 HIONIQKNPJVSCS-MRXNPFEDSA-N 425.493 1.332 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1740551224 KRUJZQDFHXTHNN-JKSUJKDBSA-N 439.582 1.895 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(=O)NCC(F)F)c1 1740564543 QIXXXWLKVATLME-UHFFFAOYSA-N 432.475 1.914 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740623202 PURWZPPUYJKABU-ZWKOTPCHSA-N 429.546 1.702 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)N1CCOCC1 1740724183 ZCQKSTZOBJRATO-AUSIDOKSSA-N 428.581 1.863 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 1740774644 XCNOHVLKBGBROK-VQIMIIECSA-N 427.571 1.174 30 10 IDEE CCOC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1746556500 DGVRBYQWFSXNHP-ZPHPHTNESA-N 443.508 1.351 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748814781 JCBXXDZRQZFJGV-QZTJIDSGSA-N 436.578 1.842 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1748886202 AFMKFLLHXTTWPV-DEOSSOPVSA-N 446.511 1.460 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)NC)CC1 1749049271 HMFYHIBMLJTXEN-HKUYNNGSSA-N 435.594 1.721 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749659056 SSKUTVGJSNTNQP-HSZRJFAPSA-N 435.532 1.420 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749671751 HSSPMSJIOBNAMT-OAQYLSRUSA-N 430.459 1.308 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CNC(C)=O)CC1 1749679763 AMAHFTFQXJHAKL-UHFFFAOYSA-N 440.548 1.820 30 10 IDEE CC(C)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750905093 SXOJYABUIHSNDD-GRNWLOBZSA-N 443.552 1.577 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760137799 MXZUDDYOWSESCS-PMACEKPBSA-N 428.581 1.718 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760173389 TWLCSJGFZYZHDF-MRXNPFEDSA-N 427.505 1.527 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1-c1ccccc1 1760243903 UGICHOXCSHXCKG-UHFFFAOYSA-N 434.504 1.229 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2ccccc21 1760249252 IUYIHMSBVBPKJS-RBUKOAKNSA-N 428.558 1.996 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ncnn2C(C)(C)C)CC1 1760255836 AVZWSMHYNFLEMP-KRWDZBQOSA-N 430.557 1.152 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1760278115 YVKQCFGUJBLAMA-UHFFFAOYSA-N 449.558 1.122 30 10 IDEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)C1CC1 1760476375 PUUAFLMQPRQEHS-UHFFFAOYSA-N 442.545 1.919 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1760695308 FOPVBYAACOWPJP-WBVHZDCISA-N 440.533 1.405 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)N(C)C 1762069452 FGJIDEWYYIHYIA-UHFFFAOYSA-N 447.547 1.582 30 10 IDEE CCc1nnc(N2CCc3ccc(Cl)nc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764851116 ZQDBKASSILHSBM-VHEBQXMUSA-N 427.896 1.978 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1766722661 HONFVSADRMUHEQ-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1767062983 BCIJHDFRIJWFJZ-UXHICEINSA-N 437.548 1.642 30 10 IDEE CNc1cc(N2CCC[C@@H]2Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)ncn1 1767837416 FYRWWKSXUIQFGQ-GVDBMIGSSA-N 425.541 1.879 30 10 IDEE CN(C)CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1768517327 HOVCNLGEANSSKR-IBGZPJMESA-N 436.520 1.396 30 10 IDEE N#Cc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)cc1 1851905293 YGOARVWYMPDIOS-QFIPXVFZSA-N 436.537 1.997 30 10 IDEE N#Cc1ccc(CNC(=O)CCCCCN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1852272677 PTGYVUHFVSZFGP-OAQYLSRUSA-N 432.590 1.540 30 10 IDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1853758649 KHHMKZWTVSEXMW-ZWKOTPCHSA-N 436.578 1.191 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(Cc4ncno4)C3)CC2=O)c1 1854982718 HHVUONBSABISBQ-HNNXBMFYSA-N 428.880 1.348 30 10 IDEE COC1CCN(C2CN([C@H]3CCN(C(=O)c4cc(CC#N)ccc4Cl)C3=O)C2)CC1 1856806654 UVZBTXOCMNKIAM-FQEVSTJZSA-N 430.936 1.942 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCOc3ccc(OC)cc3)C2)CC1 1872946793 CNENWSAUFXKGOH-SFHVURJKSA-N 429.517 1.463 30 10 IDEE CC1(C)OB(C#CCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 1895076174 SLJUDTAGOMJUMS-UHFFFAOYSA-N 432.307 1.227 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nncs2)O1 2033814149 MJPSANMWDCGHLH-DZGCQCFKSA-N 445.453 1.871 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085661045 OLLLIEHHSCBXKP-HNNXBMFYSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H](CO)C1 2255849687 QBFVKYRVYCZRIN-CQSZACIVSA-N 436.314 1.633 30 10 IDEE Cc1c(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266991283 DRTHDORMCUDDIF-PEBXRYMYSA-N 446.357 1.767 30 10 IDEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267118254 XWIXVFNMIZYUOQ-UHFFFAOYSA-N 449.361 1.443 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2267172668 CKLHTGYUKCEONR-HOCLYGCPSA-N 444.341 1.857 30 10 IDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267184964 YPRQYQRITGZRRG-KBPBESRZSA-N 446.357 1.657 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2267189156 WKUNVXWFVATQPL-FVQBIDKESA-N 446.357 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267595899 GRDPVNAMLNGTIF-MELADBBJSA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267874940 BXLAECIAJZNVHC-RRFJBIMHSA-N 444.341 1.761 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880541 UTQZVROSDPSWAR-NEPJUHHUSA-N 442.247 1.447 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2269063994 RCUNNWUQFAFQTR-QGZVFWFLSA-N 443.309 1.602 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC4(C3)OCCO4)cc2F)OC1(C)C 2282314926 HBBAAGOBWNQVER-UHFFFAOYSA-N 427.303 1.653 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339876 KWSGATKGHPWRPI-LBPRGKRZSA-N 441.359 1.400 30 10 IDEE COc1cc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)ccc1O 2328471387 FLESZXSEXAJXKE-UHFFFAOYSA-N 442.457 1.951 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1C 2337316360 BJDORFWOENEIFO-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(C(=O)OCC)ccc21 13789643 UMAXLOHXUKRJCV-QZQOTICOSA-N 449.554 1.612 30 10 IDEE CCc1nnc(CN(CC)C(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)o1 20918236 XZABJDGDXFGTBK-UFFVCSGVSA-N 443.537 1.833 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc(O)c2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103098725 HDVHUKKLECSASX-VZCCSQPZSA-N 428.397 1.731 30 10 IDEE C=CCOC(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)CC1 169893332 BMCOOLHLQBAYSD-UHFFFAOYSA-N 429.473 1.836 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=C/C(Br)=C\c1ccccc1)n2CCO 254448917 INGKAJAMJPKWNA-KEVIVJSNSA-N 433.266 1.662 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(I)ccc2O)CC1 436750031 LSZKORZSJCPQDP-UHFFFAOYSA-N 429.258 1.057 30 10 IDEE COc1ccccc1NC(=O)CN1CCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 441725091 FXELZINJWKKHMI-UHFFFAOYSA-N 441.513 1.786 30 10 IDEE Cc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 443224281 LUTAZGIQHGEGBI-UHFFFAOYSA-N 441.575 1.624 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 460572865 CBNJGHOVWPQYCW-SFHVURJKSA-N 447.561 1.755 30 10 IDEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 460792694 MQUZWVBRCLJXGZ-UHFFFAOYSA-N 426.458 1.584 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCO1 474350904 AFRUKEDNILHCPB-KRWDZBQOSA-N 426.542 1.212 30 10 IDEE Cc1ccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 480737127 NISZFKUWOLWGHC-CQSZACIVSA-N 427.548 1.329 30 10 IDEE CC(C)C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C(=O)NCCN(C)C 481012858 KVQVBBKSNMFASL-YJBOKZPZSA-N 437.566 1.586 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)nnc1-c1ccco1 481521819 PBEFLRACXTYDOW-CQSZACIVSA-N 446.533 1.060 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(N3CCOCC3)n2)cc1 483620178 KNWVZTLEODAIBW-HNNXBMFYSA-N 429.502 1.926 30 10 IDEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490218006 SOEWUDISNNCWRZ-OALUTQOASA-N 432.546 1.658 30 10 IDEE COCc1nc([C@@H]2COCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)no1 502006269 UAZRJXQXRPECJU-ZDUSSCGKSA-N 443.279 1.612 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3F)CC1)C2=O 505413430 BHXQWQFQXAHCHM-UHFFFAOYSA-N 427.480 1.847 30 10 IDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(CC(=O)OC)CC1 508460918 GTKSHCNPNPZCLQ-UHFFFAOYSA-N 431.493 1.452 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508801689 MTIFNBJPRCXKNC-HNNXBMFYSA-N 430.534 1.994 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 512974430 VDJCBUKMWHWRDO-IBGZPJMESA-N 441.509 1.269 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)ccc1Cl 523296012 SIJWJKRYACMUAC-UHFFFAOYSA-N 434.909 1.019 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1=O 541192253 GRJICIGZQKURAF-AWEZNQCLSA-N 441.435 1.780 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCCO2)CC1 555485709 HVPJTHLQPRIWDP-GOSISDBHSA-N 428.537 1.840 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N 561546774 XGSWFUHYOAWTQG-ZWNOBZJWSA-N 436.353 1.317 30 10 IDEE CNCCCc1[nH]nc(NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)c1C#N 573190834 ROXUAFNODCRXCO-UHFFFAOYSA-N 429.278 2.290 30 10 IDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 577654616 FEYUWXAHCZFOAU-LJQANCHMSA-N 449.577 1.863 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CCOC)C(=O)C1 581852324 APTKIWHJYDHEAJ-UHFFFAOYSA-N 440.552 1.323 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COC(=O)c3ccc(-n4cnnn4)cc3OC)cc21 586271147 GCAKGNMNGNKKBM-UHFFFAOYSA-N 449.423 1.622 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1C 603923519 FOBNDHPZBVRJST-UHFFFAOYSA-N 433.489 1.243 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCO2)C1=O 730138962 OZRZYLHQVCGVGY-FUHWJXTLSA-N 429.546 1.737 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 732154953 VNUSLMJFLWYLTP-OOESYIKTSA-N 437.422 1.959 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 742249963 DSLCFFBPVHNSAI-UAFUQJIBSA-N 432.908 1.746 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 748414000 AVUYUAHLNYZKNB-UHFFFAOYSA-N 446.485 1.161 30 10 IDEE C#CCN(CC#C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 752301576 IPMJHLWCLGWWME-RGEXLXHISA-N 441.509 1.425 30 10 IDEE COc1cccc(Cn2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1OC 756778687 FJHQNPHHIGUDIF-KRWDZBQOSA-N 438.488 1.086 30 10 IDEE CN1C(=O)C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(Cl)c(F)c1 759063740 HCPBKBJWMXAANL-MDUZTCDGSA-N 434.855 1.641 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)CC2 760963543 AVWGKDSRLSDYNA-UHFFFAOYSA-N 429.498 1.580 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ncn(C)n1 768423226 XWVPSYCOAQNCGH-QGZVFWFLSA-N 443.577 1.713 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2CCCN(CC#N)C2)C1=O 771587027 VYCSGKKHYVQOLB-ZHRRBRCNSA-N 427.505 1.122 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774058507 OLKYOOHSVMBKKX-KRWDZBQOSA-N 441.575 1.665 30 10 IDEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(-c4ccccc4C#N)c3=O)n2)c1 781137211 RBOWNZZAXCNICL-UHFFFAOYSA-N 449.499 1.995 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCCn2ccnn2)C1=O 784127145 IBQJQVWUTULYIY-QGZVFWFLSA-N 447.540 1.507 30 10 IDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802612645 LRRPKCKJWLQHGV-INIZCTEOSA-N 440.431 1.463 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 803521843 QONADTQFOHPYIY-LJQANCHMSA-N 427.526 1.418 30 10 IDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cnc(C)c(C#N)c1 813644009 MYWZCQBGNDDZRC-UHFFFAOYSA-N 443.529 1.748 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 856604264 VPUVSDZUDTYNIZ-ZWKOTPCHSA-N 428.514 1.142 30 10 IDEE COC(=O)[C@H]1CCC[C@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1117349216 BJVUNWLFZCIOEP-LSDHHAIUSA-N 427.461 1.386 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cn2)cc1 1125136417 GAUKHKPLNSLYKE-XLNRJJMWSA-N 426.462 1.122 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](c4cc(O)nc(O)n4)C3)ccc2c1=O 1161578361 CUUWGBQERDQGRI-GFCCVEGCSA-N 425.470 1.702 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2c(COC)nnc2C1 1165440205 KSCCPEZRWHZTSI-OAHLLOKOSA-N 446.533 1.064 30 10 IDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 1176166268 FJMUGIARVZNGJK-VQTJNVASSA-N 427.530 1.649 30 10 IDEE Cc1c[nH]c(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1=O 1179242201 BMEGRBOOTPHVJD-UHFFFAOYSA-N 430.530 1.907 30 10 IDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1c(C)noc1C)c1ccc(Br)cc1 1183579166 DATRPJSZZAECJI-AWEZNQCLSA-N 426.292 1.823 30 10 IDEE CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCN(CC(F)(F)F)C1 1196528030 ZQTXQHIWQCFYEW-OAHLLOKOSA-N 428.459 1.462 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNC(=O)C1CC1 1286373356 DSVXLPIADCHADL-UHFFFAOYSA-N 430.553 1.988 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286392263 IEQMAKUFZGOZQW-BZUAXINKSA-N 428.505 1.844 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286432128 YANAGLDJMYULMG-LJQANCHMSA-N 441.557 1.544 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1286457036 DEUXRMYHDIPQEM-ZDUSSCGKSA-N 426.930 1.071 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286481416 VLAJMNMAYNKSGJ-MSOLQXFVSA-N 440.514 1.812 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286504843 UVHWIHDFZUPINE-SFHVURJKSA-N 428.562 1.478 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286504888 RWCGDFIIHZEQMF-HZPDHXFCSA-N 427.530 1.872 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286689933 HIYPYEYMSLXYMA-UHFFFAOYSA-N 443.596 1.615 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(C)CC2)C1 1286810762 VODKBLQASPNRSI-DLBZAZTESA-N 439.582 1.583 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)s1 1293351686 RNPGTWKYPGJSQE-SFHVURJKSA-N 444.582 1.991 30 10 IDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CCOCc1ccc(C#N)cc1 1298755748 FUXOQMWUIJMPHA-RDTXWAMCSA-N 437.543 1.323 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1300300556 HTBWXIXHERGPNR-CHWSQXEVSA-N 449.392 1.802 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300496058 NJEVSUFHIUFCHR-LJQANCHMSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300498558 LTHRCJYYDGTRAQ-FUHWJXTLSA-N 434.537 1.917 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCCCC2=O)CC1 1300711651 GDWZUCXNFXRQLD-UHFFFAOYSA-N 428.581 1.944 30 10 IDEE C#CCSCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300778115 MOPPUSDCDRTCIA-SFTDATJTSA-N 435.594 1.648 30 10 IDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301187507 WMXCNDFHWMNLST-SFHVURJKSA-N 425.537 1.959 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301499950 HLKBMJQYSJVREE-UGSOOPFHSA-N 431.459 1.614 30 10 IDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1301737367 XCDSSNRYUCHXGP-UHFFFAOYSA-N 440.548 1.924 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1302426672 BDNUMVCDPDDAOQ-GOSISDBHSA-N 438.513 1.715 30 10 IDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1303497990 IYCHDLVOCGOKKX-VHEBQXMUSA-N 435.525 1.008 30 10 IDEE N#C[C@]12CN(C(=O)CSc3nncn3-c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1304273646 ZLSFTMAWTUVGBO-YVEFUNNKSA-N 437.934 1.410 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cnn(CCC#N)c1C 1356065566 PGXBCSISYYXCHX-UHFFFAOYSA-N 446.533 1.302 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC(=O)N2)c1 1358902567 RXMVBMWAORYYRJ-PKOBYXMFSA-N 436.516 1.507 30 10 IDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1358933395 RXNOGAUCJDXNLH-OAQYLSRUSA-N 425.533 1.827 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1358961919 HEWOTHZPFCPZAM-LJQANCHMSA-N 449.621 1.408 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1359298275 UDKOMANNEVTSMO-UHFFFAOYSA-N 434.548 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359331985 LSKYYXIDHHZAHH-SFHVURJKSA-N 437.610 1.695 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(c3ccsc3C#N)CC2)c(S(C)(=O)=O)c1 1458488336 DXOTYYFGHHGCRK-UHFFFAOYSA-N 425.557 1.753 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 1464113900 RUXMSNFWFQJSHD-IRXDYDNUSA-N 440.587 1.502 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(Cc3nc(C)cs3)CC2)cc1 1470036820 YRQRDSASSHRGOI-UHFFFAOYSA-N 433.555 1.573 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC2CCOCC2)C(=O)OC)s1 1471580890 KUQLKROJJGNZJM-HNNXBMFYSA-N 430.548 1.229 30 10 IDEE C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCCc1ccccc1 1478567382 HPAVHBNFKJPCKG-UTKZUKDTSA-N 433.512 1.706 30 10 IDEE CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1500457927 CVUFHWKXXGVCPD-INIZCTEOSA-N 431.566 1.887 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1504600127 WQTJANBEFRLURG-AZUAARDMSA-N 428.512 1.960 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504680433 PGILFPAXVBZALK-LZICOFPGSA-N 425.493 1.662 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCN2CCCCCC2=O)c1 1505316666 FZIQTSZSLDQLFD-UHFFFAOYSA-N 435.532 1.936 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCOCC2)CCO1 1505322452 ODDXBJPDVXJITD-OAHLLOKOSA-N 446.458 1.125 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1507622660 KFKDCRKDSDSBSJ-LJQANCHMSA-N 441.557 1.498 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1507632971 QYQBYYGNYHPNPT-HZPDHXFCSA-N 447.586 1.469 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1507723581 NNYDPQJGRFZBJP-OALUTQOASA-N 439.564 1.661 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)COCc2ccccc2)CC1 1507723592 NSVYDIVGPXMLAA-PZJWPPBQSA-N 436.560 1.837 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC)c(OC)c2)CC1 1507725026 NMXVTNBZOXKJIV-UHFFFAOYSA-N 435.532 1.889 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1512372019 WSZQJYCDBORFPX-CDMIOBSGSA-N 440.552 1.913 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1512574188 FMTVRTZEDOFPOF-GQWAEJPESA-N 435.431 1.815 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccon2)CC1=O 1519192423 HXWFQICUAKKBDM-KRWDZBQOSA-N 435.488 1.936 30 10 IDEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(C#N)n1 1525393514 BLVRWHZPNBEBCV-OAQYLSRUSA-N 426.477 1.641 30 10 IDEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1530021073 KZBOIMJATMURJE-UHFFFAOYSA-N 425.576 1.859 30 10 IDEE C#CCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C1CCN(C)CC1 1536124035 XKRKTADLONGBEF-UHFFFAOYSA-N 427.505 1.433 30 10 IDEE C#CCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@@H]1CCCc2ccccc21 1538322027 ARRZCNPPJWPKRC-YLJYHZDGSA-N 427.526 1.691 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1539014167 LGBPJFVODOXIPQ-DLBZAZTESA-N 429.546 1.894 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1539265493 GYXQWRYLFZBNQJ-WOJBJXKFSA-N 425.558 1.556 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC=C 1539292177 ZYXMAGPVBNFBRH-UHFFFAOYSA-N 442.317 1.995 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1539415913 HRZRSACCJJDJIT-XMSQKQJNSA-N 446.573 1.564 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCCNS(C)(=O)=O 1539548683 SXTJIGIBOLHACY-OAQYLSRUSA-N 447.561 1.894 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1539751464 NVPXNAWLYJFPAR-KRWDZBQOSA-N 439.538 1.433 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539966278 HYHMRCVMXGYISQ-JKSUJKDBSA-N 425.555 1.813 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCOCC2)C1 1540895564 VILBKALLWRLQMT-RBUKOAKNSA-N 432.569 1.150 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)C[C@H]1O 1554545186 JCVFOWKLLSRYFK-OJAHFUOMSA-N 439.516 1.728 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1555484314 RCMPLRGNMOYSOA-QHCPKHFHSA-N 437.548 1.501 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[S@](=O)C(C)(C)C 1555742997 OPWYKVAWNWMNPR-NHHMDWMZSA-N 427.546 1.991 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1555806341 DAOMHNOYDRDMCV-QGZVFWFLSA-N 445.549 1.158 30 10 IDEE CN1CC[C@@H](N2CCC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1556526774 GIUGZFJNVQAUDR-ZWKOTPCHSA-N 435.569 1.775 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(O)n1C1CC1 1557266650 VHRFLBMJFLIOLR-CQSZACIVSA-N 432.506 1.088 30 10 IDEE COC(CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)(OC)c1ccccc1 1557735425 JOHCDTSOYDRGEM-OAHLLOKOSA-N 431.514 1.766 30 10 IDEE C=CCC1(O)CN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1558316667 JKOSGIOJMGKQBV-OAQYLSRUSA-N 426.510 1.484 30 10 IDEE C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1561730934 LSLFODUSBTVGTE-QGZVFWFLSA-N 428.576 1.993 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@](COC)(C(=O)OC(C)(C)C)C2)c1 1561822509 XLCIZJKRMVYHGF-NRFANRHFSA-N 438.546 1.971 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1565345228 GSTKURASAGSKQW-HXUWFJFHSA-N 430.574 1.289 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1568551949 ZGIGUAGLOIGMHP-UHFFFAOYSA-N 436.578 1.119 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1Cc2ccc(C#N)cc2C1 1584865217 JOLJIPRUELDPMN-UHFFFAOYSA-N 427.482 1.744 30 10 IDEE C=CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1586439069 IVPMWXZOJKPVER-UHFFFAOYSA-N 438.546 1.958 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1588054613 OKTFKMWIZMFEEK-HKUYNNGSSA-N 429.546 1.898 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C(C)C 1588099691 WFVRWZWHGURISQ-QFIPXVFZSA-N 443.573 1.675 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588105383 WJXLBGJNMNDAIO-QFIPXVFZSA-N 443.555 1.832 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1588386482 PNHSQSMVKHSVIB-INIZCTEOSA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCC(=O)NC2CC2)CC1 1588864363 CZBJSBZKKDZAQO-UHFFFAOYSA-N 436.560 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1588899221 NCSXNWFNXLMJON-DEOSSOPVSA-N 448.527 1.588 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1611302315 GPUTXUKGGGIXNV-CYBMUJFWSA-N 425.449 1.767 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1)N1CCOCC1 1611599159 KIDVXPFQTBREHQ-MJGOQNOKSA-N 426.521 1.675 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1612923058 ANEUEWUHBGDGAS-LZICOFPGSA-N 437.504 1.870 30 10 IDEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)OC 1614411004 CXPCYGZZLGPYIP-IEBWSBKVSA-N 439.520 1.758 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)CCOC1 1616261189 HBLVVNCTRQUYGT-VQQMMKBISA-N 448.568 1.158 30 10 IDEE N#C[C@]12CN(C(=O)c3cnnn3-c3cc(Cl)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1616337328 XIHMBDZDHIJURF-MGPLVRAMSA-N 426.285 1.584 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1620470435 FMVUVTQJDRACRQ-UHFFFAOYSA-N 447.923 1.962 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 1626966348 AAKURRCZGSSGKF-UHFFFAOYSA-N 432.274 1.063 30 10 IDEE CCC[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)N1CCc2sccc2C1 1627884410 HJKIHRSNSMFQHA-OAHLLOKOSA-N 429.502 1.142 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)CC1 1633323800 DZIYQVKRQYARMM-UHFFFAOYSA-N 432.546 1.917 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1641840079 XRQVYZIZRZSKQG-HOTGVXAUSA-N 428.938 1.956 30 10 IDEE C#CCNC(=O)CCN1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1643923297 FHJOZRQQCCQUPD-GOSISDBHSA-N 444.580 1.786 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)s1 1646540536 COMKBYMGAWBUKO-CYBMUJFWSA-N 438.531 1.389 30 10 IDEE CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1649576938 OSYGNJKDONLSHR-LZLYRXPVSA-N 426.525 1.931 30 10 IDEE CC(=O)NCCN(CC#CCN1C(=O)c2ccccc2C1=O)[C@H](C)C(=O)OC(C)(C)C 1654109121 ARKGKZULXBSGCT-MRXNPFEDSA-N 427.501 1.454 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 1654255098 ACZNIERIZLDWSX-OAHLLOKOSA-N 425.493 1.358 30 10 IDEE COC(=O)c1cn([C@H]2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)nn1 1663247018 CECWQFSGAOUIQX-NSHDSACASA-N 440.279 1.335 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 1676509057 LCEJBYPTCUBOEQ-UHFFFAOYSA-N 433.578 1.014 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 1683155486 CQAQRNFFWJWSQV-MSOLQXFVSA-N 433.530 1.596 30 10 IDEE CN(C)CC#CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1685772375 HVONFTMFZNRWPQ-OALUTQOASA-N 449.596 1.489 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1689930091 KLRJZPYHPRBBMP-QGZVFWFLSA-N 448.593 1.320 30 10 IDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689980089 LLRXSOLXSABGKZ-NVXWUHKLSA-N 448.520 1.709 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1689987864 DLJFDSNFIOVWLZ-OALUTQOASA-N 435.594 1.019 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1689990516 PLGAOHZJMUQONF-JKSUJKDBSA-N 442.607 1.243 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1690013661 YBMPBUSXNZUJPR-UHFFFAOYSA-N 431.500 1.037 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1690047698 XFPZCQKPGLUVFI-GCJKJVERSA-N 426.542 1.551 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1690104030 KSFGWWZQCUMYMS-INIZCTEOSA-N 429.912 1.807 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690104389 VLHMDCJIXXOZOK-KRWDZBQOSA-N 444.536 1.123 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)C2CCCC2)CC1 1690113440 JSHRNASKTBGIIN-HSZRJFAPSA-N 430.597 1.560 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NC(C)(C)C)CC1 1690146098 FVSLDVBFSMUQCV-GOSISDBHSA-N 444.580 1.790 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690308709 XJVHSUKJZCVGCI-UHFFFAOYSA-N 431.504 1.921 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1690659236 NJMITLCPOVGRDD-KRWDZBQOSA-N 428.512 1.927 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690674203 SKYWYVPLSGFTNC-OAHLLOKOSA-N 437.470 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690723952 FBPOUKGPTHDRGO-ROUUACIJSA-N 439.626 1.624 30 10 IDEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCN(C)C1 1692227672 CROITHNJTBEEEL-DEOSSOPVSA-N 437.592 1.737 30 10 IDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CC1(O)CCS(=O)(=O)CC1 1693497015 XYEIYTBORWCPFD-FQEVSTJZSA-N 443.573 1.857 30 10 IDEE C[C@H]1COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1693864039 BTOIFMPLZBQZOT-HOTGVXAUSA-N 432.475 1.597 30 10 IDEE CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696700832 QUCOBJQXOIWAGP-XOMICKMZSA-N 438.488 1.650 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1696844609 NZCKUCRFFZBYQU-LJQANCHMSA-N 427.505 1.885 30 10 IDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCOC1 1697237669 IEGBZYUADFEIBZ-QFIPXVFZSA-N 440.504 1.236 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1697566959 ARGJLCYUSWPOCT-KRWDZBQOSA-N 426.521 1.793 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1698250539 HOQWPYNILAQBAC-JCXSCKIOSA-N 444.536 1.909 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1705477743 RMCWNIRSHDYBFC-HZPDHXFCSA-N 431.566 1.390 30 10 IDEE C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705517840 GPPQMKLVNWIGSU-GOSISDBHSA-N 440.935 1.473 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705638339 HGLCFIVKISJFEM-HSALFYBXSA-N 441.624 1.741 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705641286 YVEWSQFOYFMXPV-SFTDATJTSA-N 437.592 1.518 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCc2n[nH]c(C)n2)CC1 1705643203 WCMUNRKAYASZGC-UHFFFAOYSA-N 440.939 1.935 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1705700842 YZUNFEALVGTBHU-BDXSIMOUSA-N 439.582 1.438 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705789915 CBFPNRHRWIVYMB-INIZCTEOSA-N 438.532 1.703 30 10 IDEE C#CCCCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1722338746 LZYAALGQBCZDKS-HXUWFJFHSA-N 439.582 1.252 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1722400870 CHFPIKBWYCXCAU-UHFFFAOYSA-N 436.608 1.629 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nc2cc(OC)ccc2n1C 1722424841 BRXYVKPNMYRSNC-UHFFFAOYSA-N 434.504 1.708 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1 1722501288 MVXUMYJVALHGEY-OAHLLOKOSA-N 445.553 1.315 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722620103 IWZZZJSRVSXVLG-KRWDZBQOSA-N 434.541 1.822 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1722689380 SOFFOMXFZDWREL-OAHLLOKOSA-N 444.511 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)N(C)CC)C1 1722713164 FDUIQBPYFJHEOP-OAHLLOKOSA-N 437.504 1.854 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1723221048 BUBAOWPWRJLYLU-GOSISDBHSA-N 432.550 1.569 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1OCC[C@H]1C 1729070144 NPBVVYWWYJLPQQ-JFIYKMOQSA-N 426.525 1.616 30 10 IDEE CC[S@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1729234659 GBUWAMBCFXFRAJ-HKBQPEDESA-N 439.549 1.040 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1730637427 FMJYXNVRBNLVPQ-GHTZIAJQSA-N 426.477 1.245 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C(=O)OC)CC1 1730875727 MCELWSYGULLESC-DOTOQJQBSA-N 436.513 1.209 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1730997893 CEKNPDJBJLEFRR-OTWHNJEPSA-N 445.545 1.370 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1740551598 LLYVMKKYGQBAJC-WBVHZDCISA-N 430.530 1.848 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1740619368 IEDYLGYCTPTCJS-IEBWSBKVSA-N 448.545 1.242 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1740672031 VEBGWEAHGIMOIR-LJQANCHMSA-N 447.561 1.322 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCCS(=O)(=O)C2)n1 1740688458 FYTVZUPXEHTWGH-QGZVFWFLSA-N 434.566 1.148 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(CC)s2)CC1 1740699820 VHEOVRNEVKDYSM-UHFFFAOYSA-N 448.556 1.946 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1740723897 VXZQUYMCEGKQLL-FQEVSTJZSA-N 436.582 1.148 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1CCCO 1740733677 JURFNHWJTZSDKH-NFBKMPQASA-N 425.581 1.979 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1740897335 CTFLZYKSJUGUPC-UHFFFAOYSA-N 435.410 1.493 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)C1 1740958990 ICCUMLUSXOZIMK-AWEZNQCLSA-N 449.606 1.482 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740961850 KKNPELDCTANTBV-GOSISDBHSA-N 439.564 1.256 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1741658127 OXDVYBGHPJJQLC-NRFANRHFSA-N 443.483 1.384 30 10 IDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cnn(CCOC)c1 1744705237 ICTBHHIUVWBGKB-UHFFFAOYSA-N 434.548 1.926 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)C[C@H]1O 1748333917 OIOQGOILPAHVTD-WOJBJXKFSA-N 432.484 1.815 30 10 IDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748756790 WGRYECDDGWEGJI-UHFFFAOYSA-N 440.523 1.595 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1749016960 QZPHTDHYZRIIDT-PZJWPPBQSA-N 436.560 1.781 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCOCC1 1749154060 JTSVMHURZQXIGQ-UHFFFAOYSA-N 430.509 1.657 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ncccc2F)CC1 1749669746 JXLWRTYNQPKPPR-INIZCTEOSA-N 443.483 1.113 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1C(C)(C)C 1749681479 CIYGXCXBRJSQHG-UHFFFAOYSA-N 428.541 1.311 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCC3)C[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1749681517 CWXDYJDAVNQNAR-MBSDFSHPSA-N 446.596 1.543 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1749736501 KJRIRRGHLAJWBX-UHFFFAOYSA-N 447.536 1.420 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749755317 FGDQLYMTXYEJOH-HUUCEWRRSA-N 432.554 1.233 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)C1 1749825934 BNEIORIRHPUCSK-IBGZPJMESA-N 427.553 1.789 30 10 IDEE COCCOC1(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOCC1 1750036846 NIWCPRAWAQPNEO-UHFFFAOYSA-N 441.536 1.392 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1750198004 BRNNOGOZZCDBAY-GOSISDBHSA-N 442.545 1.562 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C[C@@H](C)O1 1750354674 HXANLNRQUBYSBU-CALCHBBNSA-N 435.536 1.539 30 10 IDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1750984414 ZGMNCPZUKYRHTQ-HDICACEKSA-N 426.477 1.205 30 10 IDEE C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1751148373 MNKPLBKDRVJTPW-JKSUJKDBSA-N 432.475 1.597 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCO[C@@H]2CCOC2)CC1 1760258957 VDZORFWGKAJZOW-OAQYLSRUSA-N 425.533 1.905 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](COC)C1 1760516310 LESOEESQABFQDA-MAUKXSAKSA-N 433.484 1.711 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)COC)CC1 1760563560 VYMMPBPMPTYQPF-UHFFFAOYSA-N 445.545 1.888 30 10 IDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCN1CCCS1(=O)=O 1762582189 LREDQHXIASZWMX-FQEVSTJZSA-N 428.562 1.953 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1763105098 IWQNKAQQVZZKFY-UFOSLELVSA-N 425.493 1.803 30 10 IDEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CC1 1765231242 AWIYJIVCVWCBMJ-IBGZPJMESA-N 428.562 1.924 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CC=CCC1 1767931096 NIRAZVXFNHIFLM-UHFFFAOYSA-N 439.568 1.317 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1770315996 FBCBKUIRIYHBNB-SFHVURJKSA-N 445.545 1.372 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)C1 1771359567 GCPQPIJBELEEHM-GOSISDBHSA-N 429.550 1.285 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1772566381 OBRGDPCBPROEBW-JTQLQIEISA-N 443.455 1.643 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1 1849520238 LRDBNYZJKFAWBX-SFHVURJKSA-N 430.461 1.535 30 10 IDEE CN(CCC#N)CC(C)(C)C(=O)NCc1c(C(F)(F)F)nn(C)c1N1CCOCC1 1852846768 DONVTPKGGAMVHM-UHFFFAOYSA-N 430.475 1.763 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCCO3)C(=O)C23CCCC3)cc1 1856297728 GCYNNKLSYIPVAP-QGZVFWFLSA-N 431.514 1.800 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)[C@H]4CCCS4)C3)CC2)CC1 1857127593 SSJROGJSUBZXSR-IEBWSBKVSA-N 432.590 1.731 30 10 IDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(O)c1 1862607426 OANFVRMMTGLJGG-WLRWDXFRSA-N 427.409 1.828 30 10 IDEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868739933 WLYRIMPCBKLQEA-UHFFFAOYSA-N 438.546 1.963 30 10 IDEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 1869929733 LRIBAUATVODWLA-INIZCTEOSA-N 428.518 1.033 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CSc1nnnn1C 1870304958 PUHOKLMTIAHZMU-UHFFFAOYSA-N 434.507 1.028 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)CC1 1891084935 SCEDKMDTVDKCMR-UHFFFAOYSA-N 440.588 1.373 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC(CO)C1 2018344524 AZPIKZWUJIYFIY-FVRICEFQSA-N 428.533 1.889 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905848 JSRGMGPGOKHJIS-UHFFFAOYSA-N 441.359 1.402 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CC2 2255614350 GJKAFGAYGNGILT-AWEZNQCLSA-N 432.330 1.981 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255697702 CXJBWISXQRPPSF-CVEARBPZSA-N 433.314 1.091 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255814268 YWYJCYBNPYEQQX-UHFFFAOYSA-N 435.330 1.340 30 10 IDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2267006997 SMEZFSNPRLEWAB-UHFFFAOYSA-N 442.243 1.745 30 10 IDEE CC[C@H]1[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267543084 BHSZMBYVBZQZLL-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(CC#N)cc1)NC(=O)OCc1ccccc1 2286031610 RFLWKJLLKYYYES-SFHVURJKSA-N 431.470 1.962 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303104445 KFNOLUAFTPPQCM-KGLIPLIRSA-N 425.335 1.840 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 2315529012 POBWDHJICLOGEW-OKILXGFUSA-N 432.330 1.553 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2337192591 NJPOBAGDUPIPEP-LSDHHAIUSA-N 446.357 1.943 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1C 2337321742 OAEQMKITNVVCMB-QDMKHBRRSA-N 446.357 1.623 30 10 IDEE COc1[nH]c(=N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786423 LLMAVGSZRDMPCO-HNNXBMFYSA-N 449.357 1.859 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCc2scc(C#CCO)c2C1 2361617901 GSUJHJSTWWWEFA-UHFFFAOYSA-N 444.534 1.466 30 10 IDEE Cc1ccsc1[C@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@H]1C#N 101442920 FXZUNWZCVPSYBA-QWHCGFSZSA-N 427.486 1.707 30 10 IDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(-c2ccccc2)cc1 248226162 JFWMFOFGSRCNIP-UGCAPWQASA-N 446.459 1.921 30 10 IDEE CSc1nc(O)c(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)cc1C#N 435965141 MJDNYZGOSHIMRD-UHFFFAOYSA-N 426.545 1.767 30 10 IDEE CN(C)c1ncc(CN(C)c2ccc(C#N)c(N(C)Cc3cnc(N(C)C)nc3)n2)cn1 436340711 UUIIMYYEXNDPPW-UHFFFAOYSA-N 432.536 1.938 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(C)nc3)C[C@H]2[C@@H](C)CC)C1=O 439786911 SNFXQOFWQPZVJD-LPHOPBHVSA-N 441.532 1.426 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 445760427 WBDBIUJAWSFYTB-UHFFFAOYSA-N 425.283 1.346 30 10 IDEE N#Cc1ccc(CS(=O)(=O)c2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1F 447497605 AMLSERDAJJUDIG-MRXNPFEDSA-N 435.481 1.278 30 10 IDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 460555699 QUJWTZNQQGLEDR-UHFFFAOYSA-N 431.522 1.667 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cn1 472360746 LHVUZWHKNQWRJB-UHFFFAOYSA-N 427.530 1.620 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 477797243 NSHRSAHYNQOTEZ-LJQANCHMSA-N 433.530 1.103 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 478750139 XUBIWLZLJPVMAV-HNNXBMFYSA-N 425.510 1.307 30 10 IDEE COc1cccc(-c2nc(=NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)s[nH]2)c1 482175291 FUPKMKDGFZNRJQ-GFCCVEGCSA-N 443.510 1.813 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 497572683 FNEBWCPDCMLVOF-HNNXBMFYSA-N 430.555 1.107 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 507080923 WQFYNXDKMIIBDJ-GOSISDBHSA-N 443.544 1.812 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)cc2C1=O 511770554 GWRQXWLHDQLTLP-CQSZACIVSA-N 443.500 1.777 30 10 IDEE Cc1cccn2c(=O)c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc12 536897329 PICRVJKUGIFVCR-UHFFFAOYSA-N 437.481 1.021 30 10 IDEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541759365 ILCQJQNSTXUGEG-UHFFFAOYSA-N 427.482 1.017 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C(=O)N4CCCC4)c(F)c3)CC2)n1 544844504 NYNVJQDVGKUDFK-UHFFFAOYSA-N 443.504 1.839 30 10 IDEE C[C@]1(c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)NC(=O)NC1=O 546927935 YRZHQZVWEFYHFU-JOCHJYFZSA-N 433.472 1.040 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 558964332 GFHHRKMIELMALP-OIISXLGYSA-N 425.555 1.191 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@H]2CCC(=O)NC23CCC3)nn(-c2ccc(F)cc2)c1N 583825176 FIPBHMNIFWOVFU-SFHVURJKSA-N 439.495 1.898 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1C 589758791 JRSPEIFDDPWIHY-QGZVFWFLSA-N 441.553 1.434 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 608880687 LPOSYVYPRRBCGV-UHFFFAOYSA-N 446.451 1.552 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 679530392 HKTFIZQEIGRGMT-UHFFFAOYSA-N 438.550 1.185 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCCN(C(=O)OC)C2)C1=O 726393706 QQSPDYMIAOOFAC-GDBMZVCRSA-N 429.502 1.857 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)[C@@H]1CCS(=O)(=O)C1 729332423 YOLQYONCJZBUPF-OAHLLOKOSA-N 426.450 1.338 30 10 IDEE COC(=O)[C@@H](Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccc(C#N)cc1 740001294 RUXCJPZDWNRJRA-IBGZPJMESA-N 429.502 1.361 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(Cl)c(Br)c1 756178652 CIYUTZYDYJKSMU-BUHFOSPRSA-N 441.669 1.684 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 756920434 OEKXIIUFJHOVAZ-MSOLQXFVSA-N 444.532 1.937 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 759416537 DOORYGHOLBHRRV-FWSRSQSESA-N 436.415 1.897 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 766446509 YREWFCYSLXCBJT-UHFFFAOYSA-N 449.432 1.990 30 10 IDEE N#C[C@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 766651590 QGKRJCOCHFBAKV-OAQYLSRUSA-N 439.537 1.655 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCSC[C@H]2CCO)cc1 768969848 PMEFRGPKSAWLLN-XZOUCZQKSA-N 426.564 1.831 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)C1=O 771440162 OPBPYUQACDJFAD-VXKWHMMOSA-N 444.488 1.368 30 10 IDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cn2)c1 777333088 GEKDFQDPQCDMNK-LJQANCHMSA-N 436.497 1.921 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(N2CCN(C(C)C)CC2)c1 792221680 MUEHPFIOXDBOOR-QFIPXVFZSA-N 438.576 1.663 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)n1 797675236 GTNZOBZSUNGDOR-UHFFFAOYSA-N 446.533 1.376 30 10 IDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812432628 DFLJANBRNBUIGH-HKUYNNGSSA-N 432.546 1.852 30 10 IDEE C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cscc2C#N)C1=O 814611928 HNKRITVUIMKNTR-HXUWFJFHSA-N 426.454 1.751 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@H]1CCCO1 818220806 NWHZGMPFGFOYKH-GOSISDBHSA-N 448.548 1.666 30 10 IDEE CN1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)N(C(=O)OC(C)(C)C)CC1=O 1126038330 MXCKZRFMXFWGCF-RBUKOAKNSA-N 441.532 1.301 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OCC 1132934883 VUILWEWMYVOGBD-MRXNPFEDSA-N 426.539 1.143 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2sccc2CC#N)C1 1133401214 ZKEFPZJMDXIZOG-CQSZACIVSA-N 427.548 1.968 30 10 IDEE Cc1cc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)nn1-c1cccc(C#N)c1 1154897029 ZXRIYRNSFMQQPN-HXUWFJFHSA-N 438.513 1.788 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1159936787 VWZMPKMRUDMLFZ-GOEBONIOSA-N 431.493 1.459 30 10 IDEE COC(=O)[C@H]1CC(F)(F)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1166808109 UTRDQPGTFXBZLJ-CQSZACIVSA-N 443.472 1.695 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C1CCOCC1 1199872150 CODKOFFMKFFEEV-OAQYLSRUSA-N 427.549 1.447 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@@H]1N1CCN(C)CC1 1210977803 HWCDQDVESVRXRI-KSSFIOAISA-N 441.395 1.967 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 1254438952 PKQBTQAVKAFBCR-UHFFFAOYSA-N 432.484 1.642 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)c([N+](=O)[O-])c1 1264527559 MWQGKVYOUMBIJB-UHFFFAOYSA-N 429.458 1.156 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1264862724 BUNPNCFZNGPTQQ-MSOLQXFVSA-N 438.546 1.908 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)Nc2ncc3c(c2C#N)COCC3)c1 1276481856 RSDOEWUREVEKCU-UHFFFAOYSA-N 434.499 1.695 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1286297586 XDNXIKMDSGDRCS-ILXRZTDVSA-N 438.579 1.329 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286350217 XKGHIHLOJMYVSK-HZPDHXFCSA-N 435.575 1.936 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1286381956 INJOZVCJSFKPBF-SFHVURJKSA-N 440.529 1.546 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1286393672 RLLYSXCILBKVQA-QGZVFWFLSA-N 435.594 1.410 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)c(COC)c1 1286461659 VKBWHFVXOVVSED-UHFFFAOYSA-N 429.496 1.934 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N(C)CC 1286461897 ZJYJSNYHIVTXLI-UHFFFAOYSA-N 426.521 1.712 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1286494994 WZZMSAUFCSUESG-NTKDMRAZSA-N 437.544 1.656 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286560160 CFEJQVGNQHFPEL-LHHMISFZSA-N 436.582 1.918 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1286563467 QFSAZQPINFPCGU-AEFFLSMTSA-N 444.580 1.484 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286608252 ORWTUEKRTOUYRO-ZWKOTPCHSA-N 438.594 1.904 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286627182 AQQWUSLRJAUCRW-GFCCVEGCSA-N 427.914 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)F)CC1 1286783784 LGHKHVXLFUCIHH-UHFFFAOYSA-N 448.474 1.406 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286789108 AQBNDPJNOFWPSN-UHFFFAOYSA-N 428.459 1.428 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccsc2)C1 1286800830 RMAMWLFVCSEIHG-GOEBONIOSA-N 425.580 1.974 30 10 IDEE CC(C)(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1287042218 DWICOWJRXNSRTK-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCSC1 1287470875 FYCVJMDMTIJUOV-OAQYLSRUSA-N 427.578 1.938 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(S(C)(=O)=O)CC3)C2)C1 1294505855 ZFCJVDYRZZSLNG-RDYUPDBUSA-N 425.551 1.809 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1297274834 DZTFLILGAPDRIP-MRXNPFEDSA-N 433.463 1.832 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300325440 ZSFICSIADDYEGJ-JKSUJKDBSA-N 435.525 1.736 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)O 1300560522 BQJWLAIDYVJFLW-UHFFFAOYSA-N 429.546 1.429 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1301125947 RAXGGYIFNAKCJZ-SJORKVTESA-N 442.607 1.550 30 10 IDEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1301176149 QYCKPNYENKRPAD-UHFFFAOYSA-N 432.550 1.488 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301251981 KKSLGOHZYMUSJT-SFHVURJKSA-N 429.525 1.699 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1301339148 ICHVOICIFJRROR-IBGZPJMESA-N 436.516 1.835 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301568144 PCVQWGDPOGYZQL-HZPDHXFCSA-N 448.549 1.387 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C)[C@H]1C 1301596512 QMKABBIEZAANNT-QZWWFDLISA-N 444.623 1.933 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1302420017 BJPDBGYDPDFNAK-UHFFFAOYSA-N 434.508 1.130 30 10 IDEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1303003296 DYMWTQGKIADBCG-JKSUJKDBSA-N 428.459 1.928 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1303633418 GKMFLQDCSCVTNG-OAHLLOKOSA-N 429.506 1.791 30 10 IDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1304711303 CUFHTQCTRVSOCG-UHFFFAOYSA-N 440.533 1.104 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1305626884 GAWBRXHIUCJSIC-HNNXBMFYSA-N 432.550 1.602 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CCN1CCOC 1306408331 APHUURCDAKEKHD-LJQANCHMSA-N 446.577 1.408 30 10 IDEE C=CCN1CCC(NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CC1 1309161109 WXLDHYBQWSVBLX-UHFFFAOYSA-N 430.328 1.429 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)CC2)cc1 1309808110 AWGQYUIEASROGL-UHFFFAOYSA-N 434.543 1.286 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1316065523 NJPPHLZLGJOJET-HSZRJFAPSA-N 437.548 1.501 30 10 IDEE NC(=O)C[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316549665 JLDFSTIKHMTLLX-DPHDRGAJSA-N 427.509 1.164 30 10 IDEE C=CCCn1cc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)nn1 1354473901 LEBNFQWKDIAMLQ-UHFFFAOYSA-N 446.515 1.788 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1358966174 JEPOMBSWPZVBFQ-CBZJRKILSA-N 426.608 1.406 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358967664 POZWQKBBQUDRDN-INIZCTEOSA-N 442.607 1.354 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1358970352 MLWOJTWNTRKRBR-OFNKIYASSA-N 427.549 1.650 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(OCC(N)=O)c2)CC1 1359034094 CONVRYFZELEQDJ-UHFFFAOYSA-N 445.527 1.316 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](OC)C(F)(F)F 1359063985 INXBWGQERHGYDJ-HEHGZKQESA-N 437.488 1.848 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1360475749 DGZAMTLRZJQYFU-QAPCUYQASA-N 439.520 1.483 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC([C@H]4COC(=O)N4)CC3)CC2)cc1 1463148463 JEQXQCCOHOEWPH-LJQANCHMSA-N 446.529 1.306 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl)C(=O)OC 1463853752 IEZONDGMKVTUMW-ZETCQYMHSA-N 437.655 1.793 30 10 IDEE CCCc1c(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)cnn1-c1cccc(C#N)c1 1467254888 XLAXYSISFBEQFL-SFHVURJKSA-N 436.447 1.960 30 10 IDEE CN(CCc1cccc(C#N)c1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1471521227 NVRHUWODNDTQFX-GOSISDBHSA-N 441.532 1.962 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 1473220036 YNNYIKHYLYRBFB-LPHOPBHVSA-N 427.501 1.900 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1502674632 MKURXVKPUTWJKD-YYXLPIDQSA-N 430.509 1.303 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1503108841 MOWRPWQOKSVPBO-UHFFFAOYSA-N 446.515 1.555 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1503416295 SEMLNJHORUZUJE-IAGOWNOFSA-N 442.545 1.355 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507511935 AWSCLAHAPMBIFH-RDJZCZTQSA-N 426.496 1.455 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1507588003 DIKOKDZOLQLGTB-MRXNPFEDSA-N 434.591 1.767 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507642647 YAJHKISPPVRRSY-HFMPRLQTSA-N 443.592 1.891 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CSCCS1 1507710706 UBOPUDADWMMXOQ-AWEZNQCLSA-N 435.575 1.940 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)OCCO2 1507714011 GIGKGWJNNYKHAX-RXVVDRJESA-N 442.516 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1507738930 IMCXXTQJXOPKHD-PMACEKPBSA-N 442.608 1.868 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507784134 IHQAAHBNQCHOJQ-CZUORRHYSA-N 431.356 1.706 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1507802971 AFYHHSBHELVREA-XLIONFOSSA-N 431.537 1.771 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507956851 HJPNQOJJMOJTHR-UHFFFAOYSA-N 447.584 1.691 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1508062593 KWPPQKBJAXRTKJ-GOSISDBHSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508079687 CSPOMJZSASYGRF-IBGZPJMESA-N 432.488 1.430 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1508140973 RLTVVJJSSCYQEB-WMLDXEAASA-N 433.534 1.733 30 10 IDEE C=CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1508168995 WGDOFYQXDHBICF-FIKGOQFSSA-N 435.594 1.953 30 10 IDEE CC(=O)N1CCN(CCn2c(C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1508273029 BOBUIMVAXJINHJ-UHFFFAOYSA-N 440.527 1.088 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1518336127 NXGPGHJIWVDDOR-VQTJNVASSA-N 443.504 1.790 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1534147225 ZAHFMHLQBOQZGM-HNNXBMFYSA-N 427.954 1.434 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1538970140 ADNJWXQXLITWGB-RYUDHWBXSA-N 425.584 1.544 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1539005029 XKKYFFMUFWRHSG-HJPURHCSSA-N 438.532 1.920 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1539015021 NMXMHZPNXGAHMC-MAUKXSAKSA-N 446.529 1.188 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539212526 PVYWOUBABDVAMM-HNNXBMFYSA-N 425.470 1.986 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539215811 JKKCOILOXJMPNR-WIYYLYMNSA-N 432.521 1.829 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539217027 ZTBMEBHOPLEJHF-SFHVURJKSA-N 433.582 1.036 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1539219237 HGROPUDHGDUPHB-MSOLQXFVSA-N 430.578 1.562 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC 1539266082 LSXWWDKPWBYPPE-VGSWGCGISA-N 431.537 1.820 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1CCCO 1539332598 WTNUUHKMTOOUJE-JOCHJYFZSA-N 445.571 1.826 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C)c(C)s1 1539395963 KFTSJARUTYGLHQ-ZDUSSCGKSA-N 426.568 1.096 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cn2)n1 1539424053 JZXRZPVIDZABAV-UHFFFAOYSA-N 449.494 1.744 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2CCS(=O)(=O)CC2)CC1 1539453872 SXKXBRMZGZDWHN-UHFFFAOYSA-N 441.601 1.757 30 10 IDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1)C1CC1 1540107911 FTEFTUAFLJYOCE-VGOFRKELSA-N 449.552 1.893 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1540118780 AXZRGQCNPVENEH-OAQYLSRUSA-N 432.546 1.906 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 1540672930 IKVXNJGAWSYBBT-UHFFFAOYSA-N 438.513 1.123 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)CC1 1540865818 SXSCOAYVBGOEED-UHFFFAOYSA-N 439.339 1.398 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CNC(C)=O)CC1 1540872157 FEYTVLFUTWYXDT-UHFFFAOYSA-N 446.502 1.802 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@@H]1COCCO1 1544582137 GXAGTBXXCXUXMB-IAGOWNOFSA-N 440.552 1.659 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C[C@H]1O 1554549822 MZEYSHIEOQIHLC-NZSAHSFTSA-N 441.488 1.268 30 10 IDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1554594584 LTQGPSQVUAYHRT-RCDICMHDSA-N 437.504 1.666 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1570662403 YNAOPHKXXYCIJN-AEFFLSMTSA-N 426.560 1.030 30 10 IDEE Cn1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(Br)n1 1587025297 SHYRNIGVSPREPL-LBPRGKRZSA-N 431.250 1.898 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1588050143 PDLKGXUTNKGMCK-SJORKVTESA-N 448.618 1.837 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1588099583 RJOHQACSCZFDBT-QGZVFWFLSA-N 442.541 1.860 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1588129176 YSOGYPNSSDFKTM-INIZCTEOSA-N 425.876 1.775 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1588149024 CZTDQZUMFBTXGZ-HXUWFJFHSA-N 430.487 1.820 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1589481851 CVUWCAMQDMVKPT-HZMVEIRTSA-N 441.598 1.655 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)[C@@H]1CC 1589482241 HVWLGOWKTGRLCI-SZMVWBNQSA-N 432.569 1.893 30 10 IDEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1589687961 VJJYUROOGHHJOK-HXUWFJFHSA-N 438.525 1.948 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)OC1(C)C 1593779451 WLCBNGAVLKBXFN-NRFANRHFSA-N 449.357 1.687 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1595784866 LSENEPRCHOEEHK-QGZVFWFLSA-N 443.533 1.043 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)C1 1611768059 YTUNLHUJWCYCQB-LJQANCHMSA-N 435.435 1.517 30 10 IDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1616956996 CLUHCGIYEXTWKI-IXDOHACOSA-N 428.352 1.443 30 10 IDEE COC[C@@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1619611156 FEJNBOVWDRXCGT-QWHCGFSZSA-N 427.278 1.759 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1620352906 AUQNVWHAXMRXEN-QGZVFWFLSA-N 430.534 1.412 30 10 IDEE COc1ccc(N2CC[C@H](CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1630613713 DXOOOYQOBWAZAR-MRXNPFEDSA-N 442.541 1.767 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1639841032 XTXGYONOGOKEHN-KRWDZBQOSA-N 430.482 1.763 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H]2CS(=O)(=O)Cc3ccccc32)CC1 1643920032 VKHQGVLFBRDPKB-OALUTQOASA-N 444.582 1.716 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c(=O)n1C1CC1 1644154199 GIAIXIWBQOFEED-UHFFFAOYSA-N 441.919 1.523 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@@H]1C(F)(F)F 1644886155 BGXMZPJJEPFUIY-NWDGAFQWSA-N 445.398 1.125 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 1645159087 QZDAADACUWJBGT-HXUWFJFHSA-N 429.542 1.648 30 10 IDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1648119674 ZNEVCXMQJADWGJ-SFHVURJKSA-N 442.495 1.673 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648156136 WZOORLZKAIJIJZ-ZFCANOHDSA-N 425.551 1.857 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)c(=O)c1C#N 1648749812 DZTVADZRRDXBPB-JTQLQIEISA-N 449.227 1.970 30 10 IDEE C#Cc1ccc(CNC(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 1651035246 NJIFKQLYDHFUPN-UHFFFAOYSA-N 427.526 1.745 30 10 IDEE C=CC[C@@H]1CCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1653340925 NFMAVGFEJFXKEF-MRXNPFEDSA-N 432.546 1.704 30 10 IDEE N#C[C@@]12CN(CC(=O)NCc3ccccc3COc3ccccc3)C[C@H]1CS(=O)(=O)C2 1654888805 HVWFGQFSMHRXJI-REWPJTCUSA-N 439.537 1.752 30 10 IDEE CN(c1cccc(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1)S(C)(=O)=O 1676676273 FKAQKDCFVLCGLD-UHFFFAOYSA-N 441.557 1.981 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1681200183 OHOAXNKTQNXWCP-MTSZKFMLSA-N 436.509 1.554 30 10 IDEE CC[C@@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1cccc(S(N)(=O)=O)c1 1684052884 HIGNWADCZJWUDA-LJQANCHMSA-N 428.518 1.584 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1685681926 NUOXPTAAIKLLPY-LAUBAEHRSA-N 436.564 1.937 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1cccnc1N1CCOCC1 1689828254 MPQRMXJYFRJMAX-ZWKOTPCHSA-N 428.537 1.740 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2=O)CC1 1690180397 FJYWPMWXSGVRHD-UHFFFAOYSA-N 444.605 1.748 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690667870 LBDYZMNRJMFBFU-UHFFFAOYSA-N 427.509 1.699 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](N3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690677431 WSORLXUEFFBVGS-XMSQKQJNSA-N 432.569 1.297 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690678344 SWRNRHGFMCZUIP-BQFCYCMXSA-N 445.524 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](COC)C1 1690723173 KFOMRQHTNBWYDR-CQSZACIVSA-N 437.522 1.079 30 10 IDEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1693754286 RPAJBJDSIUQEGU-NHWLHPCLSA-N 427.509 1.133 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1697775191 JXRWZRRAZYSQQN-AZUAARDMSA-N 428.512 1.960 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1697922036 DNXIVTNODTYTQF-JOCHJYFZSA-N 426.521 1.663 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CO)CC1 1698520761 QNSGGNOGZUIIJH-DMEQXSTQSA-N 430.509 1.255 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565666 IUMLLLSERDYITA-GOSISDBHSA-N 440.529 1.362 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705599403 YOFDQRDDBZLZEG-FQEVSTJZSA-N 426.542 1.838 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705639604 SBJASJRWIKONMM-LEWJYISDSA-N 430.597 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)C(C)(C)C)CC1 1705649263 QSUGQJMPTLRVIO-UHFFFAOYSA-N 437.548 1.468 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705664065 JAURJHPQLZMNBP-MSOLQXFVSA-N 427.578 1.469 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1705666315 BIVHWNZFCNDFMF-IWMITWMQSA-N 449.552 1.927 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCCSC 1705680949 KCSVWPXQLQQNLK-LLVKDONJSA-N 426.406 1.986 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1705695794 ZMAKLCHEPRVIQE-FHWLQOOXSA-N 434.585 1.554 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705756693 KVVOZMXWUFJPGN-FQEVSTJZSA-N 429.912 1.831 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1)C1CC1 1705849232 HEQYMNRMTYLUGG-UHFFFAOYSA-N 425.493 1.329 30 10 IDEE CC(C)CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1=O 1706510536 ZRHYLDRKSLKVEZ-UDJKBAMHSA-N 441.536 1.375 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1706673397 HACVFCJRFHQLEL-VFNWGFHPSA-N 428.493 1.533 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1710893003 FWFYYDKXGPNAGC-QGZVFWFLSA-N 441.920 1.765 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCCCC2)CC1 1722430172 ZQNQVYBYHSJRCV-HXUWFJFHSA-N 427.597 1.391 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCNC(=O)OC(C)(C)C)CC1 1722430965 KJMSWZJAWDDTKJ-KRWDZBQOSA-N 436.557 1.282 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1722537284 MMMUHDVGNCSRQG-QGZVFWFLSA-N 425.555 1.360 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1722662817 MPLAALRSMMYNRK-INIZCTEOSA-N 440.533 1.921 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722700578 MOPOPTTVICFDAB-QGZVFWFLSA-N 442.549 1.247 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1C(C)(C)C 1722703973 MOCZMZRVXHWVOX-UHFFFAOYSA-N 428.497 1.508 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C(C)C)N1CCOCC1 1726403581 HSEZMEYNJGGVNU-PXNSSMCTSA-N 439.568 1.320 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1729714206 ZNNVCRSXTFXINL-SFHVURJKSA-N 448.531 1.760 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ncnn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740623966 BKFAVOVVLVFCTM-QGZVFWFLSA-N 425.518 1.096 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)cc(OC)c2)CC1 1740689486 DHROWKKZQABXPV-UHFFFAOYSA-N 449.490 1.877 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740736991 WEVAKKWRVSFIBC-DZGCQCFKSA-N 441.374 1.482 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1740948631 TWYJNMOXEUQUJT-UHFFFAOYSA-N 442.495 1.453 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740962552 HFFKNFTZZJXGIM-QGZVFWFLSA-N 449.563 1.690 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740988253 YHMFLGNAQIXJPP-IYBDPMFKSA-N 435.462 1.016 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2F)CC1 1740994439 NXHAIAGPXQFYDV-UHFFFAOYSA-N 434.541 1.692 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@@H]1C 1748665117 NSTYKDLQIMCQLU-BXTJHSDWSA-N 432.550 1.236 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1748748149 SYEUPWYMKXUKJA-CVEARBPZSA-N 425.489 1.713 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1748752399 WIKZLDVRIFOAEZ-HZPDHXFCSA-N 448.549 1.678 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C1CC1 1749467053 DNRDXNUCYAWVBV-UHFFFAOYSA-N 431.566 1.695 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1749599316 BQEKPCMDMBHZNW-QGZVFWFLSA-N 434.566 1.328 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1749683260 NQQBMZGCUFJNHI-NSHGMRRFSA-N 443.552 1.651 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1750390120 FPKNOIZIFMDRLY-GOSISDBHSA-N 439.495 1.928 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760129739 XKMOFLOGYMWGBH-KRWDZBQOSA-N 448.568 1.950 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1760176433 KWDWZOBHOXWVDB-NRFANRHFSA-N 449.603 1.627 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1760206000 OXLNEXHOQJEIHP-LJQANCHMSA-N 449.540 1.190 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1760287488 UEHXXXNAIXPZFP-WMZOPIPTSA-N 448.593 1.363 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760360405 ASBJHAHYUCKVTI-YYDVJCTNSA-N 447.580 1.968 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760433258 QUSWCOSXBJOMOV-DLBZAZTESA-N 426.587 1.013 30 10 IDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)C1 1760527182 OIFXDDJBHACDEX-FQEVSTJZSA-N 437.592 1.791 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)CCC2 1762196666 UPCSCRNJPJFURR-WBVHZDCISA-N 446.581 1.711 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1C 1765393340 AQFFWMWWDSYXCO-IRXDYDNUSA-N 425.537 1.736 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1767437960 BKAXMOZIKIKPSD-YADHBBJMSA-N 442.495 1.780 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(C)COCCO1 1767936531 QMQXZDCBXNLSTE-QFIPXVFZSA-N 426.521 1.818 30 10 IDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768107242 IOKGGKYKJJTAMN-VZCXRCSSSA-N 435.488 1.816 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1768588031 JDLRNDGXJRUPES-UHFFFAOYSA-N 439.520 1.026 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCSC2)C1 1769064169 FVFMXZYUCPNZLV-DYESRHJHSA-N 428.562 1.737 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1771356204 ATZZTJTWEWFAAA-KRWDZBQOSA-N 442.545 1.356 30 10 IDEE O=C1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)N(C(=O)c2ccc(F)cc2)C1 1851677782 SRFJVIVBDNTSIE-ZDUSSCGKSA-N 449.382 1.480 30 10 IDEE N#Cc1cccnc1N(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)C1CCC1 1851990120 CHHQHYMWPBITGY-UHFFFAOYSA-N 445.467 1.947 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3C(=O)NC[C@H]3C3CCCCC3)CC2)nc1 1852496716 DNZUZZSJAUUJEV-PZJWPPBQSA-N 425.533 1.561 30 10 IDEE CN([C@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cccc(C#N)c1 1855345507 KCKNHVSIXKXIQS-KRWDZBQOSA-N 425.466 1.697 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCc4ccccc4C3)C2)CC1 1857041795 MSUPAZNELGGVKE-PMACEKPBSA-N 429.542 1.732 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCc4ccccc4C3)C2)CC1 1857041797 MSUPAZNELGGVKE-VQTJNVASSA-N 429.542 1.732 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)CC 1857346369 AOHBFVOYKGJDHJ-KSSFIOAISA-N 433.530 1.556 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c(O)c2)cc1F 1862640949 NGCVUPMALHSOAP-LJQANCHMSA-N 444.415 1.960 30 10 IDEE C=CCn1cc(OCCO)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870364781 FLYMHBKRSQRDQD-UHFFFAOYSA-N 427.501 1.452 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577767 ABVRJGOSJONPMW-UHFFFAOYSA-N 449.899 1.620 30 10 IDEE CC(C)(C#CC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1993920062 WPPHTPDHVRQIDX-NRFANRHFSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124516507 STHIMWPMQFJXOO-LSDHHAIUSA-N 448.329 1.475 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2255645193 GCCHMLXKAVBPCP-FICVDOATSA-N 430.314 1.371 30 10 IDEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2255646612 WYEUEBLIJMQKQP-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2255662507 WTZHNWHUYXGDSW-WDEREUQCSA-N 445.272 1.738 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2259165287 ZRKHVTMIUWZTTK-KRWDZBQOSA-N 433.358 1.821 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267000757 BSLJJIPUOFJNMG-ZDUSSCGKSA-N 441.259 1.912 30 10 IDEE C[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267001635 NPCGRPDYYAWNEQ-WFASDCNBSA-N 441.259 1.910 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267011891 MAIREECQGWJSJE-RTBURBONSA-N 441.337 1.823 30 10 IDEE CCn1cc(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267179032 KIIWBXROVFQEMK-RCDICMHDSA-N 446.357 1.941 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334257952 YZRZDPFEDNFGRF-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1 2334263973 YOLXBLYOKQSKQV-BPUTZDHNSA-N 446.357 1.847 30 10 IDEE C=CCNC(=O)c1cc2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc2oc1=O 40897273 HMTWYEAZNXJYAW-UHFFFAOYSA-N 432.388 1.910 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n[nH]2)cn1 59887076 OTZKWXKCHNQDQD-KEBDBYFISA-N 443.537 1.890 30 10 IDEE C=CCOc1ccccc1[C@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@H]1C#N 72443924 RVEXDKFKTMGCEQ-DOTOQJQBSA-N 448.483 1.260 30 10 IDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(C(C)=O)CC3)C2=O)cc1 96573460 VIGPFNOGUJSRMI-JOCHJYFZSA-N 428.489 1.099 30 10 IDEE O=S(=O)(/N=C1\C=C2N(CCO)CCO[C@@]2(O)c2ccccc21)c1ccc(Cl)cc1 102919737 MNTPHSUBFKHGSB-WDWWVRLLSA-N 434.901 1.885 30 10 IDEE C#CCN(CC(=O)Nc1ccccc1I)[C@@H]1CCS(=O)(=O)C1 111045986 MKFDPPPYQVDMRQ-GFCCVEGCSA-N 432.283 1.352 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)c(C#N)c2N)cc1 429468863 JNZIRODUAOPYPB-YRNRMSPPSA-N 435.532 1.876 30 10 IDEE CCO[C@@H]1C[C@](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)(C(=O)OC)C1(C)C 444560210 CVNNAYOIZQTQEY-UZLBHIALSA-N 437.518 1.355 30 10 IDEE COCCc1nnc(-c2cccc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2)o1 472680940 ATVGNQILZCBDSN-UHFFFAOYSA-N 435.488 1.802 30 10 IDEE Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 475193772 UIAFRIDLFOPLKX-UHFFFAOYSA-N 446.916 1.992 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 480996986 GWEFYUDZNFIIIN-JKSUJKDBSA-N 434.518 1.475 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)C2=O)cc1 487175856 WLGJDUNFXZKFNY-IBGZPJMESA-N 433.516 1.791 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1F 488912931 BSMHRUXPOMPANN-UHFFFAOYSA-N 434.474 1.264 30 10 IDEE Cc1ncc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N 489298649 YDRZJTQKFYEDAR-UHFFFAOYSA-N 434.543 1.641 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505223581 GOCYAUWACRRBGU-UHFFFAOYSA-N 434.518 1.107 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 508914954 VKUCSCOWSUTNJQ-GOSISDBHSA-N 432.550 1.124 30 10 IDEE CN1CCN([C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)c2cccs2)CC1 515291891 VCKXNIUMDWCGRK-LJQANCHMSA-N 439.589 1.835 30 10 IDEE COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 524907316 TYSACESFBXLNAJ-UHFFFAOYSA-N 426.498 1.824 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 535137515 NPHHEDIEXMNHNE-CQSZACIVSA-N 449.935 1.911 30 10 IDEE N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 539097853 RCNMRQKHVJGGPP-UXHICEINSA-N 437.521 1.877 30 10 IDEE Cn1ccnc1CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 540463588 FETRAYBFORHHEM-NRFANRHFSA-N 439.539 1.086 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccc([N+](=O)[O-])s2)C1 585828415 TZINLOBDXRRKCC-YFZXXLGGSA-N 442.497 1.905 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1 609185794 ILZRQVAZBHAVAN-HXUWFJFHSA-N 444.513 1.625 30 10 IDEE CN(C)S(=O)(=O)c1cc(I)cc(B2OC(C)(C)C(C)(C)O2)c1 694941687 LFIGQEAVZJSJCG-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730139919 DAUFGJZVUMFORF-LJQANCHMSA-N 447.605 1.829 30 10 IDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732672416 ILYCBCUUESLSNB-VQIMIIECSA-N 432.322 1.846 30 10 IDEE CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732895349 XRKYYNSNXVIWMD-GOSISDBHSA-N 432.546 1.537 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 753754568 VCWBVCKTIGWMCE-GDBMZVCRSA-N 438.575 1.344 30 10 IDEE COc1cccc(-c2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n(C)n2)c1 762680720 GRMVJXRKJQDXDM-UHFFFAOYSA-N 425.470 1.773 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 778567404 YDCSAFGSCLBOAR-HXUWFJFHSA-N 437.500 1.933 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 780860426 FGKZWJOZFIEMDC-FQEVSTJZSA-N 429.498 1.070 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781661951 NSFNIYOFBOYXLI-UHFFFAOYSA-N 429.542 1.695 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@@H]1CCCO1 782587928 FCTOSAYNVONLBK-AWEZNQCLSA-N 442.566 1.204 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1nnn(C)n1 782817020 YSEFMSQIMZMDOW-MRXNPFEDSA-N 444.565 1.108 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 783296428 HNNRMQMKWRFTLB-KRWDZBQOSA-N 443.953 1.482 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 787543731 GRXLKHJCNMXKSD-GDBMZVCRSA-N 439.472 1.352 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2cccs2)N2CCOCC2)n1 788849623 SBCJSZLOEGYLPO-LJQANCHMSA-N 431.562 1.809 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)n1 790106001 LRBWQMWAZSIVJO-QNGOZBTKSA-N 435.488 1.493 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(S(=O)(=O)c1cccc(Br)c1C#N)C2 805084765 WAACFDPIENEOKM-MEDUHNTESA-N 429.292 1.521 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 805129964 UNKQGMJZYYZDTP-LJQANCHMSA-N 430.571 1.816 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 805784847 TXKBLEPRSUXUDN-QGZVFWFLSA-N 428.514 1.467 30 10 IDEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812310438 XLJLLPQBETZFGM-BJLQDIEVSA-N 442.541 1.760 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCCCc2nc(-c3ccncc3)no2)cc1 913289815 JRVKLQQJNJVEKY-UHFFFAOYSA-N 426.454 1.833 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1O 1084040829 OBGCUKPKOQMDRY-UHFFFAOYSA-N 434.507 1.648 30 10 IDEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C(C)C 1134182962 AWKZAIDPONPXDR-UHFFFAOYSA-N 446.573 1.880 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)C2)C1 1137159519 BFUBCENGBUOBPL-JBLFJGJOSA-N 434.537 1.560 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)s1 1140671694 KWKAXHVEVNOIQS-MRXNPFEDSA-N 431.543 1.821 30 10 IDEE C#C[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C1CCOCC1 1148194660 OKTIJLASBKQTJN-NRFANRHFSA-N 429.542 1.959 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc(C)c(C(=O)OCC)s3)CC2)C1=O 1152669839 JQCBRBRBYXALIW-UHFFFAOYSA-N 448.501 1.311 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1168614856 WULFXGGYFLIJMO-INIZCTEOSA-N 442.541 1.934 30 10 IDEE N#Cc1cncc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1178373995 SMVLDZCWCZSGFW-UHFFFAOYSA-N 442.497 1.442 30 10 IDEE CC(C)(CC#N)CS(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1208357637 DYKDDQZKMAJGKM-UHFFFAOYSA-N 429.564 1.208 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(C(=O)OC)cc2Br)nn1 1213353990 NGWJANSSKIFVAH-UHFFFAOYSA-N 429.296 1.882 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OCC 1213546773 ROWXTUWAXFSKSF-GFCCVEGCSA-N 425.429 1.493 30 10 IDEE C#CCC1(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCCCC1 1220580163 BZOQHHVALYXTSR-UHFFFAOYSA-N 433.578 1.559 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1286297588 XDNXIKMDSGDRCS-KKUMJFAQSA-N 438.579 1.329 30 10 IDEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286315833 OWAWGZDCBBTJQJ-IBGZPJMESA-N 427.505 1.717 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286363905 USFMYDNGWVUNGJ-MAUKXSAKSA-N 431.459 1.263 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1286384409 QMQPLNRIXCCKKF-KRWDZBQOSA-N 447.948 1.527 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286389880 SCMLJWOPSDITSX-FQEVSTJZSA-N 438.557 1.856 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)c2cccc(O)c2)CC1 1286477143 PBSXPCYBTXYMHO-UHFFFAOYSA-N 445.527 1.621 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CC1 1286481400 VEYCZOFTWZNJML-GOSISDBHSA-N 440.523 1.496 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1286566899 KCGHWIQWEVBXOH-MRXNPFEDSA-N 444.565 1.920 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCOCC2)CC1 1286638324 YSBCHCCFNOSDCN-MRXNPFEDSA-N 426.587 1.156 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC12CCOCC2 1286727611 VNVBNDLCKLKVEF-CVEARBPZSA-N 425.555 1.050 30 10 IDEE C=CC(=O)Nc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1290636330 LTVVUXSDGWLWHR-UHFFFAOYSA-N 440.481 1.535 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC1CCOCC1 1290864868 CAXGRDNDMNMOFE-INIZCTEOSA-N 426.525 1.549 30 10 IDEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1291146099 WUYRYSWTMJSOLO-SJTPKYKMSA-N 441.536 1.523 30 10 IDEE CN(CCC(F)F)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1298609302 QJVPSUHSGXWATB-CQSZACIVSA-N 444.464 1.215 30 10 IDEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccccc1 1298713500 FHRNSGZLAQAKHA-OALUTQOASA-N 444.561 1.041 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301034191 NEKBKLUFLXPALQ-DNVCBOLYSA-N 446.987 1.810 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301040951 ILXSVYDJBLMEEE-KFKAGJAMSA-N 436.988 1.913 30 10 IDEE COCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1302229877 NWNKURUPQIFIAI-UHFFFAOYSA-N 440.552 1.855 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)CC1 1302478779 FYTKAIQMJMBLHS-UHFFFAOYSA-N 430.534 1.610 30 10 IDEE N#CC1CCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1303000695 IQSHHIHQUTXPDC-QGZVFWFLSA-N 434.479 1.958 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1304409462 AVZQHSUIKNDHQU-FQEVSTJZSA-N 448.524 1.643 30 10 IDEE CNCCCc1[nH]nc(NC(=O)c2ccc(I)cc2O)c1C#N 1306285669 DDSHWBGZPPQOOS-UHFFFAOYSA-N 425.230 1.996 30 10 IDEE CC(C)(C)n1nc(Br)c2c(=O)n(CC(=O)N(CCC#N)CCC#N)cnc21 1307384959 BNGCKQQEBAHZSE-UHFFFAOYSA-N 434.298 1.766 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)CC1 1309801196 UNXGGAMXZKZIKC-UHFFFAOYSA-N 430.548 1.386 30 10 IDEE CCN1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1313957060 CGAQCMUQJWSJKL-NRFANRHFSA-N 439.564 1.710 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1314427838 GJFZNNIANNWBJX-UAYHFDEJSA-N 444.536 1.909 30 10 IDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)Cc2ccc(C#N)nc2)CC1 1358417151 UJBVZDJQRKOFGJ-UHFFFAOYSA-N 427.549 1.889 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)CCC)c1 1358902014 CLYNHMXNJKRULC-FDDCHVKYSA-N 438.532 1.837 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1358929717 GMCDQMUSSKTUNP-QZTJIDSGSA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1358939956 KZLNCZJCBYLHFO-ZJSXRUAMSA-N 439.560 1.901 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1358948346 AAECNRAQULXDKL-VQTJNVASSA-N 443.573 1.323 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1358967031 BVUMZPRJQADVKI-ZWKOTPCHSA-N 432.550 1.421 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2[C@@H]2C[C@H]2C(C)C)n1 1359028198 KJNOEEWSWBZKHQ-GBESFXJTSA-N 425.537 1.929 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)CC1 1359038389 USZVQTYFZLYEKZ-SFHVURJKSA-N 441.605 1.520 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)NC)CC1 1359047789 TWSMTESTYRQKHD-UHFFFAOYSA-N 438.532 1.267 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2F)CC1 1359055246 XMSISRAEEPFODA-UHFFFAOYSA-N 426.525 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359334482 HOISWXKIFQJKKB-KRWDZBQOSA-N 444.623 1.625 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C)cc3C#N)CC2)cc1OC 1435358991 GUJCGPZUYDJOED-UHFFFAOYSA-N 433.490 1.348 30 10 IDEE CCCCn1c(CCC(=O)NCC#CCO)nc2cc(S(=O)(=O)N3CCCC3)ccc21 1448443229 URNCQILRFXPQEV-UHFFFAOYSA-N 446.573 1.665 30 10 IDEE N#Cc1cccc2c1CN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C2 1460334678 QLALLQHMLIQOBI-UHFFFAOYSA-N 440.525 1.211 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cc(C#N)ccc1=O 1473042444 HJELEMMTMJJNQG-UHFFFAOYSA-N 444.513 1.932 30 10 IDEE O=S(=O)(c1ccc(N2CCN(CC#Cc3ccc(F)cc3)CC2)nc1)N1CCOCC1 1473263320 RUVGKSCTASYSLR-UHFFFAOYSA-N 444.532 1.415 30 10 IDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 1494522028 BBLCPAXUTIHUCA-QZTJIDSGSA-N 437.548 1.594 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505144302 LBNIMEFXBRNCBR-GOSISDBHSA-N 429.550 1.061 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1505144374 NTHDBJWZJBNONV-IBGZPJMESA-N 444.561 1.934 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507695206 VUZUZJQSZVVSIO-SFHVURJKSA-N 442.545 1.470 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCn2cc(Cl)cn2)CC1 1507739515 QSLZKBWAWBLQHJ-MRXNPFEDSA-N 431.928 1.298 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507748640 SGXLLXICPKJCGF-UHFFFAOYSA-N 449.540 1.704 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507936883 KQKXNYPTOHTQBX-KRWDZBQOSA-N 439.520 1.719 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1508076704 VJUQZPASUVIHGS-CVEARBPZSA-N 430.557 1.922 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1508080941 ULPYRPAIOFJXCE-UHFFFAOYSA-N 446.515 1.900 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccn2)CC1 1508097553 QYUDLUAQVYDXNI-PXNSSMCTSA-N 441.536 1.026 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@]1(OCC)CCOC1 1508099426 WZQZRAJGUXPCJR-QFIPXVFZSA-N 443.552 1.350 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 1508140350 NGQUJSJUUCSNJE-UHFFFAOYSA-N 446.577 1.602 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cs1 1511545253 HOPLJDKSWOFUPF-MOPGFXCFSA-N 445.593 1.719 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1529124843 PITCJKBHFCKUKG-QFIPXVFZSA-N 435.440 1.440 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC(=O)N2C(C)(C)C)cn1 1532114704 WKSUUNNJLTVWPG-PBHICJAKSA-N 440.508 1.178 30 10 IDEE COc1ccc(-c2ncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)s2)cc1OC 1537006826 YDWYUANGORKERR-ORAYPTAESA-N 433.511 1.838 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1539215965 MDHSGLKLETYGGO-INIZCTEOSA-N 428.543 1.666 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1539284988 XMBVDVAEPLHMKC-HDICACEKSA-N 428.537 1.648 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539312570 UJQXAIGJBDMQKP-HXUWFJFHSA-N 434.548 1.141 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1539981714 JAUKNNXXACIADC-HZPDHXFCSA-N 427.571 1.629 30 10 IDEE C=CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861238 INPHBVZVYJDFSJ-QFIPXVFZSA-N 432.569 1.249 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCSCC2)C1 1540896018 DPEZZBXAHNKYRF-FHWLQOOXSA-N 437.610 1.832 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CCOC)c1 1554385668 GLXBNZMEIMMMEG-MRXNPFEDSA-N 436.520 1.526 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1555992842 COBTXROKWLWAFF-RBUKOAKNSA-N 442.495 1.746 30 10 IDEE C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1=O 1556749399 FXEZVQOVDLDCEK-SUMWQHHRSA-N 427.436 1.218 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1587668334 XLLRHRRUMLAINF-LAUBAEHRSA-N 432.546 1.481 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1587988875 DBKXZQIHFLLHNY-MRXNPFEDSA-N 434.541 1.524 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC1 1588768871 LPGPTQNSDYHECU-UHFFFAOYSA-N 433.560 1.684 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589567668 FYWCRAWWGTWYLX-GGPKGHCWSA-N 448.593 1.744 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1595516596 HTFQLFUQIDQJJD-QFIPXVFZSA-N 442.520 1.356 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595595535 XKPVCXRFANREKN-KRWDZBQOSA-N 444.511 1.603 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)cc1 1595613545 GFZBTXFUOBPISB-QGZVFWFLSA-N 445.545 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC 1595798812 TZKFGLRSCSNUTM-OAHLLOKOSA-N 443.570 1.991 30 10 IDEE N#Cc1cn(C2CN(C(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)nc1O 1607490639 YXPRHXJKZOZNHL-UHFFFAOYSA-N 445.435 1.426 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)s1 1610940026 SEEXNLAQLFTAGY-HNNXBMFYSA-N 427.592 1.766 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1611772066 KEWOJAPJDWUXOO-KIJUOZEOSA-N 425.493 1.438 30 10 IDEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCOC1(C)C 1613021123 FOIGPLOIRJVDJA-OAHLLOKOSA-N 432.550 1.760 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1613429344 GVPQNPVDCNOPHB-GOEBONIOSA-N 426.477 1.707 30 10 IDEE Cc1ccc(O[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1 1616329603 VXIPKUAMFOSINW-IIYDPXPESA-N 427.320 1.922 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 1618258735 SIOCLHOUMOYMFL-GOSISDBHSA-N 433.534 1.779 30 10 IDEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1(C)C 1618487763 FHBADIYYRKNGLE-LJQANCHMSA-N 436.564 1.154 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cccnc1 1620020382 XDFPLSKQKPFGCB-FXAWDEMLSA-N 425.537 1.816 30 10 IDEE CC1=C(C)C(=O)N(CCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O 1624380258 KQTVMZBILGOCPX-UHFFFAOYSA-N 438.463 1.609 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCCNc2ncccc2C#N)C1=O 1625770295 MKHJJKSAVRKSDX-INIZCTEOSA-N 430.509 1.245 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CCO)c1ccccc1I 1634026952 KCXVZVFOFBNMTJ-AWEZNQCLSA-N 444.269 1.969 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc4C3)CC2)cc1 1639101094 NZEYLDMRJTZOQS-UHFFFAOYSA-N 438.509 1.940 30 10 IDEE Cn1cc(C[C@@H](CO)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1640524324 PXYCOGYELXKBGQ-CQSZACIVSA-N 432.322 1.458 30 10 IDEE N#CCCN(C(=O)CCC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1 1641478838 QFWXEZPNQNNUHY-KRWDZBQOSA-N 432.488 1.546 30 10 IDEE C[C@H]1COCCN1C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1645880455 DYYVSDRGWJNHSE-CVDCTZTESA-N 443.567 1.720 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCO[C@@]4(CCS(=O)(=O)C4)C3)c2C#N)C1 1646421147 WYSGPWDGFSZQIN-VLIAUNLRSA-N 437.587 1.963 30 10 IDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1649561309 BJIBZEXEAVTOPS-XLIONFOSSA-N 437.504 1.178 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)NC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973330 JXSAJTCLNDKXCF-UHFFFAOYSA-N 442.582 1.024 30 10 IDEE C#C[C@H](NCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCCO1 1654218838 PQSPKKHDANKYDX-PMACEKPBSA-N 435.546 1.041 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)CC1 1654801113 GZZTWHAWHPNZHH-AVRDEDQJSA-N 437.585 1.030 30 10 IDEE COC[C@]1(C(=O)OC)CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1655061783 XUGBGCGCZJCLLL-UGKGYDQZSA-N 432.496 1.189 30 10 IDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C1CSC1 1667138664 YINSKFISFLLOJQ-UHFFFAOYSA-N 425.532 1.299 30 10 IDEE C#CC[C@H](CCOC)NC(=O)NC[C@@H](O)COc1ccc(I)cc1 1684426098 TXNMYYYWTQWGHQ-HUUCEWRRSA-N 446.285 1.759 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CCC1 1689959643 IKBMOISKUFSWQT-LJAQVGFWSA-N 434.591 1.609 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1689998117 BUSNWJZFBLEUPF-ARFHVFGLSA-N 442.632 1.605 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1690004897 KDPFZYNNMRFVQK-INIZCTEOSA-N 428.514 1.470 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1690236341 LLDWKILPRATUPP-QUCCMNQESA-N 444.580 1.800 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690506342 KVVQLDTTZGRMTD-UHFFFAOYSA-N 436.582 1.737 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690509068 WBIYRSNIJMNZBF-OPAMFIHVSA-N 446.552 1.579 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nccs1 1690730115 WQLYJIAEMSBQID-UHFFFAOYSA-N 435.579 1.833 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1693017413 JRYWEBYSECVSKU-FUHWJXTLSA-N 428.468 1.736 30 10 IDEE Cn1ccc(Nc2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)n1 1696864061 DHNKOYPNVQBLJV-UHFFFAOYSA-N 427.490 1.234 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)CCO1 1696967800 ISHFUBDYQMRXFC-LJQANCHMSA-N 436.472 1.342 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1OC 1697453074 HWEBNBNXAXRBMK-QGZVFWFLSA-N 445.545 1.986 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1698214144 CLDMEMJPZVZRMS-KRWDZBQOSA-N 426.521 1.927 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705569907 LDFAJLPBVJTJAX-REWPJTCUSA-N 442.585 1.851 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@@](C)=O)cc1 1705601155 ZXICIAKFWCVYHN-WJOKGBTCSA-N 437.569 1.790 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1705628481 IGFSGMKCXYIWCF-UHFFFAOYSA-N 438.576 1.911 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC(=O)NC(C)C)CC1 1705643088 RQAKFKOPMUZSSU-UHFFFAOYSA-N 440.548 1.536 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1705659398 UXOWWKYXIHXRMA-MRXNPFEDSA-N 444.561 1.725 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705736848 DVEXSHRCMQEQSY-SQGPQFPESA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Cl)s1 1705897331 KLZNESNMZUAZIP-NSHDSACASA-N 446.986 1.542 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705898260 GWVPQZGNYOISHQ-CABCVRRESA-N 429.912 1.543 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1712590358 NWHFBZTVYYHBLZ-MRXNPFEDSA-N 437.460 1.680 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1722355603 ZIDUJRTWFRYKEN-HNNXBMFYSA-N 445.524 1.844 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1722357247 VRIFLXDWNFUREW-UHFFFAOYSA-N 432.546 1.483 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2nc(C)cc2C)nc1)[C@H]1CCS(=O)(=O)C1 1722362702 BUSAKEJKIXJKGX-IBGZPJMESA-N 439.545 1.459 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC2CCOCC2)c1 1722370137 HJXRHYNKMZOXGM-UHFFFAOYSA-N 436.516 1.490 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1722403469 SBSGSNJUUSNJMJ-UHFFFAOYSA-N 446.515 1.665 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC=C)CC1 1722433149 NABXXIHLZCXQOO-UHFFFAOYSA-N 432.326 1.093 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCOCC2)CC1 1722436567 BPECNUUXXCKKCZ-SFHVURJKSA-N 435.594 1.142 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722457594 HANXALHBCVVVKT-PKOBYXMFSA-N 427.578 1.649 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCOCC1 1722474709 IAYJAUWJMPGGEP-LQBOVUBWSA-N 431.537 1.243 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722685861 KAHVPNDIBFMCEQ-BBWFWOEESA-N 446.552 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NC(C)=O)CC1 1722694730 GBGVLYQNEINXKR-UHFFFAOYSA-N 433.516 1.900 30 10 IDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1723548933 FSKPCQKVZNKNPL-SFHVURJKSA-N 428.562 1.782 30 10 IDEE Cc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726383258 NYBDQVOQMMJFRN-XDSRXIPYSA-N 426.452 1.350 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1728641022 BNLGRBLUBRBQRS-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)C1 1728934663 FFUOVBZCZCZDMJ-MVBMGLOESA-N 438.532 1.709 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1729764615 CMZAUBMBOMHYPY-RBUKOAKNSA-N 425.489 1.746 30 10 IDEE COc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1730309738 FOERIUWZWSQZOG-MAUKXSAKSA-N 448.549 1.264 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1 1740558397 SKRASACGAMWOJS-CQSZACIVSA-N 430.534 1.010 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCO[C@@H]2C)c1 1740562476 KEHNYHIICMQFCP-WAIKUNEKSA-N 449.515 1.275 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1740661265 WZLJXXZEQPSBKQ-UHFFFAOYSA-N 429.546 1.620 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740822957 SJPXORRXAQRHCN-JJXSEGSLSA-N 445.973 1.082 30 10 IDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740828160 XILOTRQYJMMHLL-GOSISDBHSA-N 433.582 1.720 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1 1740960014 IYIFJQIQWLGBIJ-LBPRGKRZSA-N 435.472 1.261 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1[C@H]1C[C@H]1C 1741937275 AZHMFAPCGWIANN-GLJUWKHASA-N 447.540 1.807 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCSC1(C)C 1741944086 KJYFIDRJSUGHOV-MELADBBJSA-N 428.584 1.149 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1741983226 IERDEZURDUPKAQ-APWZRJJASA-N 437.566 1.242 30 10 IDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)on1 1742897249 DOPVIOPRBNJWCB-UHFFFAOYSA-N 441.517 1.633 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CC2)CC1 1748990156 UOVDZIBXUUXJSA-GOSISDBHSA-N 430.553 1.752 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1749045023 YQTBLVPKKASMPL-UHFFFAOYSA-N 439.589 1.791 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749672505 WDNNFQNCLQWAOV-RBUKOAKNSA-N 429.496 1.694 30 10 IDEE CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1750687482 HWGBLLVGLIYLCA-RTBURBONSA-N 446.577 1.863 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752734100 XVYDJMWPIMDTNH-UGOXKZBKSA-N 427.509 1.034 30 10 IDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1760221592 CJUIHKSOSQTOGR-UHFFFAOYSA-N 448.571 1.527 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H]2c3ccccc3C[C@H]21 1760242908 RSELSMUFYVLIAE-QLIIJSOBSA-N 443.573 1.560 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760431195 HMBZHSMWDUOYKT-IBGZPJMESA-N 445.612 1.906 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(O)c2)CC1 1760524367 WGXWFVNHPZLELD-QGZVFWFLSA-N 426.521 1.507 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCO[C@H]1C 1761244582 PPWOXXDXUXSEFI-FAODYONGSA-N 438.532 1.700 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1763244625 HHZPPVKWZZDBMB-OAHLLOKOSA-N 432.575 1.794 30 10 IDEE CCCC(O)(CCC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1763889895 ASRQFVPBUNZCFP-OAHLLOKOSA-N 426.587 1.960 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1767571037 AIGOEIGKHFRFPI-IQMFZBJNSA-N 435.532 1.646 30 10 IDEE CO[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1769595070 IZJRKEKNDOWAOG-CHWSQXEVSA-N 439.398 1.622 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1772660310 ZSRIJDVYBJKCOK-QZTJIDSGSA-N 440.529 1.132 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1 1849769728 VSXQJQOZJJCHIA-KRWDZBQOSA-N 430.461 1.535 30 10 IDEE Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1 1849780021 ZVNJAJMBQCERDT-UHFFFAOYSA-N 446.573 1.664 30 10 IDEE C#CC[C@@H](F)C(=O)N=c1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2[nH]1 1852639693 PYGPXYGFDMBKIG-GOSISDBHSA-N 440.454 1.527 30 10 IDEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1853673830 JMCBRUIQLKWQRU-HNNXBMFYSA-N 430.530 1.873 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)CN(C)c3nc4c(F)cccc4s3)C(=O)C2)C1 1853697448 AWLFHJZRMNMPQT-HNNXBMFYSA-N 431.537 1.803 30 10 IDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1855163192 JYRVDPMJIMTTOK-GOSISDBHSA-N 437.606 1.998 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N(C)c3ccccc3C#N)ccc21 1858018983 UUBZXFNQZHQIHQ-UHFFFAOYSA-N 426.498 1.799 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1S(=O)(=O)N(C)C 1858298316 KLGOHXBKUARTJV-IBGZPJMESA-N 440.525 1.762 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1858336022 RLINZEJMFMERFF-MRXNPFEDSA-N 435.527 1.617 30 10 IDEE COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC#CCN(C)C)cc1 1891762772 PHYGQDUDFGIGKC-KRWDZBQOSA-N 445.541 1.836 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 1985010402 BMUHMRRMOPTCFX-JYJNAYRXSA-N 425.526 1.637 30 10 IDEE C=CC1(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1993280585 OUZSCZVAYLCRNV-LSDHHAIUSA-N 425.526 1.896 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010541056 OYIKFELJZSIBGU-YDHSSHFGSA-N 428.533 1.889 30 10 IDEE C#CCn1ncc(N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(Br)c1=O 2106022383 RIBVXODDJNLQRJ-WCQYABFASA-N 427.299 1.591 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387733 ZOOANCMSFFTHEK-LLVKDONJSA-N 427.332 1.058 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC)B1OC(C)(C)C(C)(C)O1 2247905462 UHCKRHNWEGHUII-GJZGRUSLSA-N 446.375 1.728 30 10 IDEE Cc1csc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2248405728 WBDDEDFGWYGUOZ-CYBMUJFWSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620075 VRIPFADAMDNQSN-FQEVSTJZSA-N 438.309 1.788 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2255676107 LSERNFVWOZPJHS-HNNXBMFYSA-N 437.346 1.423 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255695696 JHVCEXQTPXTSOH-KGLIPLIRSA-N 432.330 1.666 30 10 IDEE Cn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830245 CCXOEOWKJIPQND-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2256624071 JKKIPQARPRBSJU-INIZCTEOSA-N 432.326 1.761 30 10 IDEE CC(C)(C)OC(=O)N1CCn2cnc(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)c2C1 2258567853 HLXNEGCVOKXLCC-UHFFFAOYSA-N 430.314 1.998 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267144221 SRSJHFOWEBODPO-RCDICMHDSA-N 446.357 1.767 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@@H]1NC(=O)C(F)(F)F 2267183178 MCNIECDSQFDRKP-AAEUAGOBSA-N 444.263 1.248 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268640504 XITBKPALMIVKKE-MAUKXSAKSA-N 448.369 1.919 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2272632078 CNOKVFJXZGTPGW-ASSNKEHSSA-N 447.345 1.101 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2315603159 ZHMMQXGVTGMXKN-KBPBESRZSA-N 434.346 1.895 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)C=Cc3cccc([N+](=O)[O-])c3)cc2C1=O 2332188265 BPWANKCRCPJETO-UHFFFAOYSA-N 443.379 1.925 30 10 IDEE Cn1nc(Br)c(Br)c1[C@H](C#CC1(S(C)(=O)=O)CC1)NN 2367836368 JVNFDQKNPUTQLP-ZETCQYMHSA-N 426.134 1.030 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)cc1OC 20292656 LNXSOPDBZRPPRF-UFFVCSGVSA-N 428.478 1.581 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NC3CCCCC3)n2N)cc1 20914315 VQZSANMAEKRUAZ-SRZZPIQSSA-N 431.522 1.766 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cc1O 21316702 QASWFNBXXRSRPQ-FOKLQQMPSA-N 441.517 1.869 30 10 IDEE CCn1c(=O)[nH]c2cc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)ccc2c1=O 109890432 PBGKPVSFLPSTGO-GOSISDBHSA-N 449.492 1.735 30 10 IDEE COc1ccc(CCNC(=O)[C@@H]2CC(=O)N=C(NN=Cc3ccco3)S2)cc1OC 254380993 QJVCLBRRWHPURU-KRWDZBQOSA-N 430.486 1.967 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 427177727 IOFIUDFWHJWUTF-HKUYNNGSSA-N 434.562 1.328 30 10 IDEE CCOC(=O)c1c(NC(=O)N2C[C@@H](CC)O[C@@]3(CCOC3)C2)c(C#N)cn1CCOC 432416838 IVYHEOPXMVVJJZ-IERDGZPVSA-N 434.493 1.985 30 10 IDEE C[C@@H]1[C@H](C(F)(F)F)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 470956842 DXVDMDQLOZJCQT-GDBMZVCRSA-N 444.479 1.664 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 482687695 BXEGZMKFZQQAQP-UHFFFAOYSA-N 429.546 1.990 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(Oc3cnccn3)CC2)CC1 488713885 DQTPUOAXPCKZPN-NRFANRHFSA-N 438.507 1.868 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 499341394 FMWANGMYLUJVNR-HXUWFJFHSA-N 430.524 1.681 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 502858284 VFRAPVHOVFBVLY-QGZVFWFLSA-N 434.562 1.979 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 505758875 RYCGDLNGVXKNME-HSZRJFAPSA-N 428.533 1.709 30 10 IDEE N#Cc1cccc(OC2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)c1 519124155 YAVVJJJUXNJTOG-UHFFFAOYSA-N 436.443 1.992 30 10 IDEE N#Cc1cccc(OCc2ccoc2C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 523953795 VULXGFOLCJGPEX-UHFFFAOYSA-N 438.484 1.347 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 532546723 QOIBJLNHMWRRFP-HXUWFJFHSA-N 439.541 1.394 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1cccc(C(C)C)c1 539598595 MSUMMPFTWJQRPV-UHFFFAOYSA-N 448.548 1.984 30 10 IDEE Cc1nc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1C 542071110 UALUFCNHNORKHW-UHFFFAOYSA-N 433.881 1.356 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCCO1 603798433 LHMKYNYTIKBZDA-KRWDZBQOSA-N 441.553 1.517 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1 609001156 PTGMNGYJTIMSBS-MRXNPFEDSA-N 442.545 1.796 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc3cnccc23)c1=O 611917503 KKTHRPTUTLCKMJ-UHFFFAOYSA-N 434.521 1.300 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 729668681 BXWAFZHFDMHMRS-UHFFFAOYSA-N 449.398 1.895 30 10 IDEE COC(=O)c1ccsc1N1CC[C@@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 745098622 FJNWGHDSSGPGQL-JFVSRZABSA-N 433.442 1.100 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 748066876 VSKRXEFFPZVMOG-UHFFFAOYSA-N 434.521 1.614 30 10 IDEE C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)Cc2cccc(C#N)c2)C1=O 750429356 BLQWZUDZSYDHCG-QHCPKHFHSA-N 434.452 1.618 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CCCCC1 760404040 DYBJOUCIDGCMPC-OAHLLOKOSA-N 447.513 1.731 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cc1F 768422851 VAUHKHAEMBIQJW-MRXNPFEDSA-N 447.540 1.462 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 768514955 ZCPPRKURDPSZRC-UYAOXDASSA-N 445.928 1.953 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 782558433 NEFOSRFTZMGINN-XKBVJOOISA-N 435.506 1.206 30 10 IDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc12 783007224 FRIGZOOEFTVPIW-OAHLLOKOSA-N 437.431 1.970 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)c1cc(C#N)ccn1 803848671 USBXCHLLYDJKNE-UHFFFAOYSA-N 428.470 1.340 30 10 IDEE C#CC[C@]1(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCCN1C(=O)OC(C)(C)C 808595414 PVHNAQDELIWMFZ-OYHNWAKOSA-N 435.521 1.448 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 809808917 AWVHJCKDEKEUGN-VIFPVBQESA-N 427.287 1.713 30 10 IDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 917034214 PCUNNOGQHBLDGL-AWVSAENJSA-N 440.500 1.563 30 10 IDEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1CCS(=O)(=O)C1 917701086 VJXHAVQDRFUOIP-GDBMZVCRSA-N 432.527 1.346 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)NC(=O)CN3C)c1 1125126223 RPEXSFSPGOYGLY-ULJHMMPZSA-N 442.501 1.535 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@@H](CC#N)C3)CS(=O)(=O)[C@H]2C1 1166384496 HUXSIEYIXDWQBD-HZMVEIRTSA-N 425.551 1.809 30 10 IDEE C[C@@]12CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@]1(C)CS(=O)(=O)C2 1175946466 LFKNYTYKFSQHGF-AHRSYUTCSA-N 436.603 1.214 30 10 IDEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)nn1 1196547212 UBKVOLMRXVSDKT-UHFFFAOYSA-N 435.554 1.882 30 10 IDEE C#CCN1CCN(C(=O)CN2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)CC1 1197978604 JXNKVHFWJJSNBH-OAQYLSRUSA-N 442.361 1.897 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1286360547 HFGYLDJBJGSYEO-GFCCVEGCSA-N 446.455 1.451 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1286395877 ORZRSDXLMHOUGE-ZWKOTPCHSA-N 434.566 1.191 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1286409619 OBFVNYLHIVFCOO-IBGZPJMESA-N 439.541 1.051 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(N)=O)cc2)CC1 1286482767 YQIKJQOBXGDYSU-UHFFFAOYSA-N 430.516 1.558 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286512020 HMISQZQEIYPTBN-WIYYLYMNSA-N 435.594 1.790 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1286773889 VESOXGUESVQGSE-QZTJIDSGSA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286788980 LVYNKNXRKDLJHE-SFHVURJKSA-N 437.504 1.749 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2oc(CC)nc2C)C1 1286809542 JNWOZVSCLHKDTB-CVEARBPZSA-N 435.550 1.869 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1287066340 FHUCMSCAXQBQIY-UHFFFAOYSA-N 425.493 1.668 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1 1288550585 CMTBYVWLGKNRBZ-KRWDZBQOSA-N 425.537 1.915 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)cs1 1290410824 OWKQXQQWECLFDX-UHFFFAOYSA-N 437.595 1.703 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N(CCC#N)CC1CC1 1291323181 HRLRWUMJSKQNAB-VFNWGFHPSA-N 444.561 1.940 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1292351897 ACBNBQPZYNAZLM-FQEVSTJZSA-N 432.550 1.761 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOC1=O 1297189502 WYVQZWDCWSOSSS-UHFFFAOYSA-N 427.465 1.192 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1298786275 VXTWZHZQIZQLSX-IEBWSBKVSA-N 444.561 1.713 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 1300538145 NBHRGBBHFGMREC-NRFANRHFSA-N 434.588 1.976 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCS(C)(=O)=O 1300656969 RCYAMMNPHSIQNO-UHFFFAOYSA-N 447.380 1.900 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2CC)CC1 1300723672 ZADZTNOLHKHMIF-WOJBJXKFSA-N 428.581 1.970 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300988915 LHBQJCCFLDZWIK-IAGOWNOFSA-N 444.540 1.644 30 10 IDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)N1CCOCC1 1301229323 OJCLMGXSHRMUFX-UHFFFAOYSA-N 432.550 1.531 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1301298028 XNUZHCONJLZKFX-SFHVURJKSA-N 435.550 1.680 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(F)c1 1301586823 OPYIXWCUEPSBEX-UHFFFAOYSA-N 435.525 1.777 30 10 IDEE COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)CC1=O 1301854978 BQRJJCXAFFTUGA-QGZVFWFLSA-N 431.541 1.041 30 10 IDEE C[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 1302596506 GXVVYIJGYITERD-OAHLLOKOSA-N 434.539 1.796 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCn2ccnc21 1303848470 ILBXQSGUAPYKKP-FTRWYGJKSA-N 446.581 1.792 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1304970256 IULGCWLWYGIOKT-VKJFTORMSA-N 448.549 1.749 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)CCOC1 1307945858 RLEBDRRKFZNBNL-GBXCKJPGSA-N 442.560 1.888 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1314517494 OEAXHGZGNPRBDC-OAHLLOKOSA-N 433.534 1.513 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CCO1 1315933321 FDMSIDBIFLSRDR-FQEVSTJZSA-N 440.548 1.779 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CC=CCC2)c1 1358901948 AXIJDUWVBKUEQV-HXUWFJFHSA-N 447.543 1.547 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1358949442 CAADRNQSFYKRFW-CKJXQJPGSA-N 435.525 1.196 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358960429 DVOGJUWAPBVIRW-QZTJIDSGSA-N 445.545 1.162 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1358963964 QOIBAMYHGSWWJE-GOSISDBHSA-N 445.589 1.549 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358964738 GLJOEBWFYKDKMJ-ROUUACIJSA-N 431.587 1.644 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1359036807 JSFRMQCAQVLGII-UHFFFAOYSA-N 427.524 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359294493 VFZXRXTXUCWNEW-INIZCTEOSA-N 440.504 1.076 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)NC(C)C 1359329694 RFXBROFDFUFTAF-UHFFFAOYSA-N 440.957 1.555 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359334586 KRCBEXDAXFOWAS-OALUTQOASA-N 443.573 1.379 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1443843496 CQQMXUBNBSIAGY-FLIBITNWSA-N 445.516 1.661 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1456617662 OSJKLAGQAKCNLH-QEEYODRMSA-N 434.493 1.466 30 10 IDEE Cc1ccc(O[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 1462991223 VXIPKUAMFOSINW-IGCXYCKISA-N 427.320 1.922 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 1464848600 QRFKOTCMJYXLHN-UHFFFAOYSA-N 435.315 1.471 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1465278361 HLCFROQGFLXEKX-UHFFFAOYSA-N 431.558 1.457 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CC)CN1CCOCC1 1471937244 GUIDGXHIXCOIIV-AEFFLSMTSA-N 436.578 1.511 30 10 IDEE C=CCC[C@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1472562128 SFIPDMMRJLURJG-CQSZACIVSA-N 435.502 1.018 30 10 IDEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCOCC1 1477625817 VEFYKPRPXGQCNN-ICSRJNTNSA-N 435.546 1.372 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1496764116 UWLOSFCBNVQSET-DMIMOZFVSA-N 443.552 1.815 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)ccc1OC(C)C 1504081295 SLANBLFNCYNKJG-IAGOWNOFSA-N 440.504 1.748 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1504914566 WCFMWXSYVUYBFE-NRFANRHFSA-N 440.548 1.781 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1504962894 ARWSUDKPMUCDKP-RHSMWYFYSA-N 429.518 1.411 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1505136967 GTJQEENYWASCLT-MPGHIAIKSA-N 426.518 1.243 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C 1507672951 KAWUMQSATKBAAQ-UHFFFAOYSA-N 438.557 1.635 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507750874 GWXNPGJQEIPINU-MRXNPFEDSA-N 444.561 1.844 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1508080672 QKGNFOFTYAVCFK-UHFFFAOYSA-N 432.410 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508137295 YUGBRHCHCUYRJK-SFHVURJKSA-N 440.529 1.229 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C 1510954552 CXAJTIKEYLYYMK-DYESRHJHSA-N 447.561 1.762 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1515440512 BUHXOFFLAVSPCD-HNNXBMFYSA-N 446.504 1.990 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@](C)(C#N)C1 1517627672 OMHMFGLCBRGYND-LJQANCHMSA-N 438.504 1.826 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC1 1518650256 COVARVRZMSOWMH-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1 1518657840 CJHWXAKEHQWQIR-UHFFFAOYSA-N 426.521 1.973 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1519277284 MZMXLSBCZSTIEN-OYHNWAKOSA-N 442.495 1.778 30 10 IDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1525461340 WXNUEYKZCQMTRH-BZSNNMDCSA-N 435.569 1.773 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(OC)c1 1538970603 CVPIZZPWEBJFJW-JYJNAYRXSA-N 435.550 1.822 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539120529 XCYLFFOWGYDDNQ-TYPHKJRUSA-N 428.581 1.574 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539156089 ZVIRATSUEZZGLJ-AWEZNQCLSA-N 431.294 1.765 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539225898 SATZVAGZWYCCDF-UYAOXDASSA-N 442.589 1.375 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](COC)OC)CC1 1539431248 SCWQMMLAWQBCEH-ROUUACIJSA-N 431.512 1.974 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1539435795 AYEKMOKQBCNJSG-FDDCHVKYSA-N 449.563 1.473 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2COCCO2)CC1 1539469723 FAUXBOFFCPVTEJ-LJQANCHMSA-N 443.935 1.980 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1539626556 FHNOZPSDCXWLJD-UWVAXJGDSA-N 430.553 1.563 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCN(CC)CC1 1540069304 MIVOHUKPDNPBOR-QGZVFWFLSA-N 429.569 1.902 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1540071757 HSXMNRNBZPOGNY-BXWFABGCSA-N 427.571 1.581 30 10 IDEE CNS(=O)(=O)c1ccc(CNC(=O)COc2ccc(C#N)c(Br)c2)s1 1540721404 BCRIGCLOICUCRK-UHFFFAOYSA-N 444.332 1.986 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1540861655 ARADTVNGCXFLOR-CQSZACIVSA-N 433.538 1.061 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)n1 1543049424 BZGLTXFCYORUGE-KRWDZBQOSA-N 429.506 1.276 30 10 IDEE COc1ccc(CC(=O)Nc2cccc(CC#N)c2)cc1S(=O)(=O)N1CCOCC1 1545046122 CCJJMBUQABPPLL-UHFFFAOYSA-N 429.498 1.963 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1547239300 HJXCOMAGNQZPTR-INIZCTEOSA-N 428.493 1.607 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C#N 1554502041 FBVHEMJQSWDMHV-JTQLQIEISA-N 430.332 1.181 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C2CCC1(C)CC2 1554510809 ISGFXXLWRJDNIQ-UHFFFAOYSA-N 430.534 1.799 30 10 IDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CSC1 1559985830 BUXZBVXCBBELLM-HZPDHXFCSA-N 437.587 1.474 30 10 IDEE N#Cc1ccc(OC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c(I)c1 1586273963 GODZNMUWJCWKGH-SECBINFHSA-N 439.169 1.082 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1587213593 SRKAGYSNGBBPDW-UHFFFAOYSA-N 443.525 1.919 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1587620656 JAMKARMJTRQUCW-CYBMUJFWSA-N 428.456 1.594 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1587975390 ZJOKBICYQUAZHW-UHFFFAOYSA-N 433.516 1.832 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1588045958 USCWXRZFWCEUIT-KRWDZBQOSA-N 436.559 1.007 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588064798 PHGSAPGXBQPDIK-ICSRJNTNSA-N 442.589 1.375 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)N1CCOCC1 1588620247 QKWBAAVOPXHFCZ-UHFFFAOYSA-N 436.516 1.382 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)cc2)CC1 1588923680 IUQSIDLABITRMS-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1594628148 ZSARPXLLEIWVCV-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CC(N)=O)C1 1595550660 GQKVQDOQSOXRJP-YJBOKZPZSA-N 440.504 1.185 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)OC)CC1 1595577188 KZMBUMWIRQVXSO-UHFFFAOYSA-N 442.520 1.665 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(C)CN(C)C1=O 1603683187 ODPMLQNHWFOVNO-OPAMFIHVSA-N 437.552 1.332 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1F 1611977399 RGYXKXXZNJNCIY-ZWKOTPCHSA-N 442.495 1.778 30 10 IDEE CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1613638729 KPBUDYQWMZCZHD-MSOLQXFVSA-N 442.568 1.837 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2/C=C/C)CC1 1615209771 VGBJAJYQTVTCCC-DCQHUWKXSA-N 432.565 1.329 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)C[C@H]1CS(=O)(=O)C2 1626656022 QSSUNPPDPSUQHL-LRDDRELGSA-N 426.376 1.766 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1638975560 XOFYIBSXLBTCAP-UHFFFAOYSA-N 427.530 1.670 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](CO)C1 1640800625 CIBIUPXOOHNMDH-IAGOWNOFSA-N 432.496 1.964 30 10 IDEE CCOC(=O)[C@H]1[C@H]2CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC[C@H]21 1644492422 OVAYXCLMYLNPFT-XAPVIXHLSA-N 428.508 1.666 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1 1648026622 PKSMTAHPRKRCJQ-QZTJIDSGSA-N 441.575 1.274 30 10 IDEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1649603426 DOXOIUKAXQLJSS-MRXNPFEDSA-N 437.552 1.983 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1n[nH]c(C)n1 1649680162 AUSHFVIBEIXVTB-HXUWFJFHSA-N 426.456 1.977 30 10 IDEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 1650833188 RIGQMZRTMIMTMD-RJCAOGMDSA-N 429.502 1.854 30 10 IDEE COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(c3ccsc3C#N)CC2)c1 1654225628 ACHZNXYSDBCNJD-UHFFFAOYSA-N 427.530 1.847 30 10 IDEE C=C[C@H](CO)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1656128193 WVDTZTRQCBBMKD-SECBINFHSA-N 425.244 1.211 30 10 IDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CNC1(c2cccc(C#N)c2)CCOCC1 1659476296 UWQWIJBCLPRPFH-UHFFFAOYSA-N 428.514 1.748 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1Br 1663328538 CKAACTWTQUXDHV-STQMWFEESA-N 437.312 1.800 30 10 IDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1664303110 FILCBEXKRSNNSP-INIZCTEOSA-N 427.534 1.797 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(Cc2ccccc2F)no1 1676019863 GIEBARQRQPZJCY-CQSZACIVSA-N 436.451 1.881 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br 1680909324 LBECQRAIRCCDNH-OAHLLOKOSA-N 435.340 1.733 30 10 IDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1689966630 XPAVAEWTIYVRJK-IDYLYPCZSA-N 434.456 1.386 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689997199 XQFCYSDTORPTET-GOSISDBHSA-N 446.573 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1690043981 VHRNSBCFQVODDQ-RTWAWAEBSA-N 440.592 1.829 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1690622662 UWOXGQOBWBWHMM-INIZCTEOSA-N 444.623 1.731 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1690693593 DPQLGARNPUDMQS-INIZCTEOSA-N 435.525 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1690720421 ILSHVPMAPUYFEE-UHFFFAOYSA-N 444.561 1.390 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(CCC)C(=O)C1 1690722848 XRGKMADCUHRHTJ-UHFFFAOYSA-N 434.566 1.333 30 10 IDEE CC(=O)NCC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690952225 FWVRGPXLHCOCPH-MRCUWXFGSA-N 441.536 1.110 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCC(=O)N(C)C 1693744765 AZYYKRYUVXDTPN-HNNXBMFYSA-N 425.541 1.431 30 10 IDEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1697634777 AFIZNGXDQRVLGT-GOSISDBHSA-N 438.513 1.892 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1705582768 JERXXBYDIUZJGO-SFHVURJKSA-N 447.586 1.356 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2C[C@@H]2C)n1 1705631511 HWOAIWJPSPJRAY-KSZLIROESA-N 446.577 1.319 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705638142 AGMNLLMNWHVTCC-WOJBJXKFSA-N 427.597 1.352 30 10 IDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705656760 IEXAJHBGJMDNFT-QGZVFWFLSA-N 436.545 1.843 30 10 IDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705819577 OUNVZGWRTYLZDQ-NHCUHLMSSA-N 432.613 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)C(=O)C1 1705895974 YPAUDKQZOSIBOO-UHFFFAOYSA-N 448.325 1.149 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCS(=O)(=O)CC 1705899276 NDLQCMIWZWGJRW-UHFFFAOYSA-N 442.545 1.666 30 10 IDEE CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)SC 1708677743 AGWDHHSSTBIUNS-LSDHHAIUSA-N 427.596 1.831 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1711027918 FWCZRINOSRXCRV-QGZVFWFLSA-N 444.517 1.282 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1712101905 UBWRLSJWNZXOTL-DGQTTZFYSA-N 437.516 1.812 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1)OC 1712152644 GQSZELUOIYNFCZ-REWPJTCUSA-N 440.548 1.779 30 10 IDEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1712171508 LEKNIUAPNYCWIB-RNODOKPDSA-N 429.431 1.618 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722358947 NRHZJQBTFPDQDH-KRWDZBQOSA-N 444.561 1.741 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722544476 TUFOWZUFJZJGGH-FQEVSTJZSA-N 431.928 1.979 30 10 IDEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722591468 NHNXSZAXOWTXFX-UHFFFAOYSA-N 444.580 1.655 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722701738 BOBZJHCPKQGXGX-SFHVURJKSA-N 442.495 1.420 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CCOCC2)CCOC1 1723682692 QHWSNWUPMFBRIH-IRLDBZIGSA-N 433.553 1.990 30 10 IDEE COc1cccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1730211856 HDMDOENMSKATBN-IHPCNDPISA-N 426.521 1.822 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CCO1 1730607322 AJKNHQLMEWGZLW-FQEVSTJZSA-N 437.504 1.867 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1740550138 HTQXLCRQTSAYFA-CVEARBPZSA-N 425.555 1.028 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1740570574 FVBPOAMSOMVJFZ-UHFFFAOYSA-N 449.515 1.884 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740575617 PNAIKDAUGVFDBZ-RBUKOAKNSA-N 428.581 1.765 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1740618280 GAXPBLQYEMVJNN-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740620433 WKGDZYHJUONTTI-LJQANCHMSA-N 443.573 1.659 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2c(C)noc2C)CC1 1740689426 WFHBFDFXTGLMJN-MRXNPFEDSA-N 425.537 1.678 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1740851535 YWZGGDMMNWKGAA-KRWDZBQOSA-N 436.582 1.953 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCN(CC)CC2)C1 1740976782 NIOLAOLAQMHKPL-FQEVSTJZSA-N 428.585 1.488 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1746280318 SKSKDALCNAXHCL-SFHVURJKSA-N 432.550 1.761 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2nncn2C)c1 1748693062 WZJLRMCUYCEMLK-UHFFFAOYSA-N 441.499 1.882 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1748730001 BKVPFWUISWZGLA-MSOLQXFVSA-N 430.553 1.295 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C(C)C)C(C)C 1748789781 CLNATFANEXJCOY-GOSISDBHSA-N 440.614 1.189 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1748818009 UOCMAEXLPQXPEN-QZTJIDSGSA-N 436.578 1.616 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1748963826 BZODFZBSMRAQHP-UHFFFAOYSA-N 438.576 1.427 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749044518 RHWLJSLSKDRMHA-UONOGXRCSA-N 431.484 1.923 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1749115336 GSEWMQBXRLFRPA-MRXNPFEDSA-N 442.545 1.834 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1S(C)(=O)=O 1749168969 CVWKOJOUXDNKGN-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749401705 CPOKHAOZDHZCNH-HNNXBMFYSA-N 432.550 1.193 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749676585 VWSFTWAXDLZULG-HOIFWPIMSA-N 426.521 1.339 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1760184973 NETCWQXOJQIODP-WMZOPIPTSA-N 448.570 1.007 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)c1cc[nH]n1 1760196800 YVCOSAHYDSPHSE-UHFFFAOYSA-N 439.483 1.561 30 10 IDEE C=CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760444821 RLLRZYIFXRNENM-JOCHJYFZSA-N 443.552 1.872 30 10 IDEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1760462457 BQCLIKZTKLYIEH-UHFFFAOYSA-N 448.568 1.874 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1760493222 XFKOINYVJKDAJF-UHFFFAOYSA-N 434.591 1.897 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C 1760516566 QQJVEQZJVZHRHZ-GJZGRUSLSA-N 430.484 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOC[C@@H]1C 1760558546 RYWNMZNGUTVDKS-INIZCTEOSA-N 436.534 1.692 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H]1COCCO1 1761037161 VNGCAQSMLLYSBZ-MSOLQXFVSA-N 440.552 1.659 30 10 IDEE CCN(CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766684598 VDLSWGHVKCYLRD-GOSISDBHSA-N 438.536 1.496 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1767231922 DHSCBIXKWIJQDD-ZHRRBRCNSA-N 439.520 1.208 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1768798257 JNUSUFYLQIXKAX-BJFAEBDGSA-N 444.536 1.909 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1769135384 ARACKBLHCFQQGE-FQEVSTJZSA-N 437.548 1.452 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCCCO2 1771223544 WOIZGLXJKDWCOC-WMZOPIPTSA-N 443.504 1.940 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1 1849520237 LRDBNYZJKFAWBX-GOSISDBHSA-N 430.461 1.535 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N2CC3(COC3)C2)cc1 1851580217 WMRUECPUTDJMNX-HXUWFJFHSA-N 441.509 1.315 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@@H](COc2ccc(C#N)cc2)OC(=O)[C@@H]2CN(C)C=N2)cc1 1851917915 QFDFOKOQQDHGBD-CTNGQTDRSA-N 441.509 1.974 30 10 IDEE N#CCCn1nc2c(c1NC(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)CCC2 1852004741 MZOHJBBDUBTTSQ-FQEVSTJZSA-N 441.557 1.566 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1854770484 OWGZRWBHLDXUGC-LLVKDONJSA-N 436.852 1.808 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3)C2)CC1=O 1855884799 RWTKUFBDJSKDDX-INIZCTEOSA-N 425.938 1.740 30 10 IDEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1=O 1856175149 JQWHNDCEVLCYKW-AWEZNQCLSA-N 444.435 1.053 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc4ncccc4c3)C2)CC1 1857042461 YPTJDBZQDSTYEL-GOSISDBHSA-N 426.498 1.789 30 10 IDEE CCN(CC)CCCNC(=O)[C@H](CCSC)N=C1NS(=O)(=O)c2ccccc21 1869933853 PZEPULHKRILSIO-INIZCTEOSA-N 426.608 1.695 30 10 IDEE COc1cccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1870097324 IDZBFXWQNDYSOB-UHFFFAOYSA-N 426.458 1.966 30 10 IDEE COc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 1873529751 YKWJQCGMRFYYND-OZOTYFBYSA-N 426.882 1.720 30 10 IDEE C=CCn1c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc2c(N3CC(O)C3)ncnc21 1873595202 SLVUEOISPLEGLQ-SFHVURJKSA-N 427.892 1.915 30 10 IDEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1902065726 DOGOQXZDNQPSOO-HUUCEWRRSA-N 426.514 1.888 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 2011943517 OTISSRWGNXRSHL-LJQANCHMSA-N 428.533 1.985 30 10 IDEE C#CCN(CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)C(=O)OC(C)(C)C 2015024032 NMFAJAJSUZACFK-LSDHHAIUSA-N 439.509 1.826 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2136170683 IVIFTKVOGMHTJA-MJBXVCDLSA-N 426.267 1.600 30 10 IDEE Cn1ncc(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255825217 VXIGPQIOJQDQPT-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE CC1(C)OB(C#CC(=O)N2C[C@H]3[C@@H]4CC[C@@H](CN4C(=O)C(F)(F)F)[C@H]3C2)OC1(C)C 2255857003 DDLBDKOLCKGPIM-YJNKXOJESA-N 426.244 1.879 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2256623474 FRDYBQDKBGXCCN-QGZVFWFLSA-N 432.326 1.761 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256894336 HOLPBASRNICAEP-LSDHHAIUSA-N 437.321 1.984 30 10 IDEE Cn1cc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267130070 JPRBKNCJJNBUSS-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 2267274453 AOBQZMCBJREWDV-INIZCTEOSA-N 449.357 1.690 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]1CO2 2267570149 TXKJQQLGQGDCLU-NYHFZMIOSA-N 447.341 1.822 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339328 BKAXDGHSZQHONI-UHFFFAOYSA-N 441.359 1.402 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2315606197 HRPXAJFGUASVDI-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319757190 SKZHJMIFNFYIKF-KLHDSHLOSA-N 440.346 1.412 30 10 IDEE CCCOc1c(OC)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1[N+](=O)[O-] 2323026654 PCZGOSOROWWIRJ-UHFFFAOYSA-N 437.434 1.532 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2332885064 PFERRGNOPRJFLD-HZSPNIEDSA-N 426.267 1.600 30 10 IDEE CN1C(=O)N(C[C@H](C(=O)NO)[C@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C 11616935 GFUITADOEPNRML-IRXDYDNUSA-N 436.553 1.990 30 10 IDEE in-vitro C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(S(C)(=O)=O)c3)cc2C1=O 16984305 JAEUGLSHGLASBM-UHFFFAOYSA-N 442.449 1.668 30 10 IDEE C=CCN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CN(CCC(=O)NC[C@H]1CCCO1)C2=O 35964539 QVUGCFWWPYWNCY-UTKZUKDTSA-N 442.491 1.860 30 10 IDEE C/C(Cl)=C/Cn1c(NN=Cc2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C 254742032 KRVZVPVSLLQPFI-MMLBIMLISA-N 431.840 1.931 30 10 IDEE Cn1c(N2CCC[C@@H]2c2ccc(I)cc2)c(C#N)c(=O)n(C)c1=O 301437368 KZIOXQBLIBSIDM-CQSZACIVSA-N 436.253 1.902 30 10 IDEE C[C@]1(c2cccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)c2)NC(=O)NC1=O 426425322 AXTICBTVNCWEQI-VGOFRKELSA-N 449.492 1.767 30 10 IDEE N#Cc1cc(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)ccc1OC(F)(F)F 443327515 CNIJWZMRXPQRLO-UHFFFAOYSA-N 449.389 1.943 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1C[C@H]1CCCO1 446113495 MSOCBWUVAXHXQY-QGZVFWFLSA-N 439.537 1.211 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@H]1CCCO1 447006733 MYDLXISYTAHYCU-QGZVFWFLSA-N 449.532 1.960 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476806248 LFOLLJQMBXZDPE-RHSMWYFYSA-N 430.530 1.915 30 10 IDEE Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Br)c(F)c2)c1=O 477039092 YDPVDSAQPLORCB-UHFFFAOYSA-N 436.306 1.474 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)c(C#N)cn1CCOC 481344748 KZKLYOYNPHQTAK-ZBFHGGJFSA-N 431.493 1.705 30 10 IDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c2C1 487680370 ULZFRVLXWLFDAR-FQEVSTJZSA-N 434.544 1.870 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497554982 OMOWCPSJIFGIFL-UHFFFAOYSA-N 447.545 1.789 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 508920941 WWFXAXYSCFGIDQ-INIZCTEOSA-N 427.477 1.712 30 10 IDEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549693285 JOBHAENKVFVOEK-LJQANCHMSA-N 449.515 1.787 30 10 IDEE COc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 550125435 RIXMYORRRDPKPM-AUUYWEPGSA-N 438.459 1.800 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1C[C@@H]1CCCO1 555377924 IKXAJDMTFFTXPG-SFHVURJKSA-N 439.537 1.127 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)CC3)CC1 557086973 GQKSKJNMURJJGO-NHCUHLMSSA-N 448.571 1.722 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(-c2ccccc2C#N)c1=O 565590034 FFVQQBJOQUGRHA-UHFFFAOYSA-N 431.521 1.931 30 10 IDEE CCOc1cc(C(=O)N[C@@H]2CCN[C@@H](C(=O)/C=C/C(=O)O)C2)cc(OCC)c1OCC 585830125 LQOCIIVMWITOOL-XLBHYRNJSA-N 434.489 1.943 30 10 IDEE C[C@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cn2)C[C@@H](C)O1 610194886 RHDFOVYHEQAAED-BETUJISGSA-N 437.909 1.845 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCO2)CC1 670297988 NOECKWCVYIQZJM-NRFANRHFSA-N 438.576 1.667 30 10 IDEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC(C)C 730141076 MIUDVEPJLYUKQR-QGZVFWFLSA-N 447.605 1.827 30 10 IDEE N#CCOc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 732054805 IBJPKSDTMZGSCM-UHFFFAOYSA-N 435.527 1.530 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3cccc(C)c3)c2=O)cn1 735069572 WSMKNAICNAHASZ-UHFFFAOYSA-N 447.564 1.939 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCN1C1CC1 735766173 XAXWXHJZAYOYQP-QGZVFWFLSA-N 436.472 1.663 30 10 IDEE C[C@@H](CC(=O)N1CCC(c2nnc3n2CCC3)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742555301 YNUXDPXIYNDDFS-AWEZNQCLSA-N 442.545 1.448 30 10 IDEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771548733 PAKLOWCEUZHDDZ-HNNXBMFYSA-N 431.497 1.501 30 10 IDEE Cn1nccc1CC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 774050282 FNRDMVPGQQEQJZ-GOSISDBHSA-N 429.502 1.485 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 774058171 MKXHDURFLDLCHF-GDBMZVCRSA-N 427.548 1.418 30 10 IDEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 775135273 WPPURAITWPSVJB-IAGOWNOFSA-N 427.567 1.902 30 10 IDEE Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CC2)c1=O 782678035 XCNIVQXIDHRIQO-UHFFFAOYSA-N 433.331 1.613 30 10 IDEE C[C@@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCC1 787656219 VZFTWHFSWZAVFP-KGLIPLIRSA-N 425.532 1.785 30 10 IDEE C#CCn1ccc(CN(CCOC)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)n1 788559390 SIYOBFNVMCNRIH-UHFFFAOYSA-N 447.517 1.862 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(F)c1 790840020 YICOKBFSFDAUBD-UHFFFAOYSA-N 437.518 1.552 30 10 IDEE CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)CCN/C(O)=C2\N=CC=CC2=O)cn1 791131594 CKBBOAOXAPAKKU-UTTYWZDOSA-N 437.500 1.882 30 10 IDEE C[C@@H](OCC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccn1C 805857200 PTRWWAJSPFXHBS-QAPCUYQASA-N 440.460 1.464 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)c2)NC(=O)NC1=O 1117399304 JHVJXYPNQUMULN-MWTRTKDXSA-N 435.459 1.895 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)C1=O 1128209689 XJTLJKANJDPUHU-IBGZPJMESA-N 449.463 1.607 30 10 IDEE N#Cc1ccc(OCC(=O)NCC(=O)NCCN2CCCCCC2)cc1Br 1129343667 FKGYVCCCPWHBLE-UHFFFAOYSA-N 437.338 1.808 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1133904727 MAXMBCZAINGAHZ-UHFFFAOYSA-N 435.527 1.924 30 10 IDEE N#Cc1c(F)cc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1F 1138753917 HEZHIWWHTDUERG-UHFFFAOYSA-N 441.481 1.778 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 1141379967 BRUVFPHLUFOEGM-KBPBESRZSA-N 425.283 1.229 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cn(C2CCC2)nn1 1144297453 DJHDPLXSPLNSMD-QGZVFWFLSA-N 430.534 1.773 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1144505704 LXEXJCGMUPLOAA-MJGOQNOKSA-N 434.581 1.885 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CCCN1C(=O)OC(C)(C)C 1147535208 LHSMJAPYENMGOQ-NRFANRHFSA-N 430.509 1.334 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 1149109272 TVZCSXJSZGWBMU-GOSISDBHSA-N 440.587 1.065 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)C1 1150967833 FPPFNMZDAHXAKU-DQLYFJKKSA-N 440.566 1.171 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1153262803 QROQXWJJNYPLNV-AZUAARDMSA-N 434.558 1.311 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C2 1158215959 NLHICYVQTQWUEK-UHFFFAOYSA-N 441.332 1.810 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(n3cnnc3O)CC2)CC1 1194058010 HOTUZDPVOMSLBV-IBGZPJMESA-N 427.484 1.169 30 10 IDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCO[C@H](c3ccc(C#N)cc3)C1)C2=O 1198220121 XOVUXXXUFFHIDD-TUAABQIMSA-N 425.489 1.463 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)c1 1235044995 IEVLSFOSKDJNHR-PZJWPPBQSA-N 449.559 1.778 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1286298252 HNOGNKKNOQPCSO-HUUCEWRRSA-N 435.550 1.990 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@H](C)C1 1286397687 PAAULAJRPIGOMC-LJQANCHMSA-N 435.532 1.499 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1286398869 RRHMDQJKPSDPBJ-XHSDSOJGSA-N 428.942 1.381 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1286408396 FZGQKTGSBHTZME-HNNXBMFYSA-N 438.438 1.689 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286415433 NKKHFFCKSXYVRJ-IPMKNSEASA-N 431.562 1.407 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1286429506 BYCCNRDIGASQQJ-LJQANCHMSA-N 445.589 1.436 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286480689 ZCPYFCNLKRRUOJ-QGZVFWFLSA-N 445.568 1.241 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286495170 RWMXZOWULKADMA-QGZVFWFLSA-N 427.578 1.998 30 10 IDEE C#CCSCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286510450 SLBDDFMTNOYHAH-VQIMIIECSA-N 442.607 1.308 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286514574 LWZTXMAKCYLYDP-SZMVWBNQSA-N 448.593 1.409 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1286727316 PEYWKUZDOJZISR-GOSISDBHSA-N 435.550 1.621 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(CC)C1 1286823443 NKJJHWAEAYZEMW-IBGZPJMESA-N 425.555 1.007 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1287010362 ITPORESNLVLZOK-HUUCEWRRSA-N 430.475 1.958 30 10 IDEE CS(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1Cl 1292929273 AGJFKLKOYDJVES-UHFFFAOYSA-N 427.891 1.532 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(NC(N)=O)cc1 1293110916 HVYDDOYKHCECJY-UHFFFAOYSA-N 431.504 1.973 30 10 IDEE C[C@H]1[C@@H](C)N(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCS1(=O)=O 1293731802 VGCCUIXHJLDMRK-CNMMBJAOSA-N 425.551 1.807 30 10 IDEE CCOC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 1299448287 PWKWCFPGRWVRGU-RDTXWAMCSA-N 430.486 1.431 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300382639 XYWDQWKCISFOBC-QFIPXVFZSA-N 443.552 1.424 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1300541514 WHWLNZZLOLNPCU-QGZVFWFLSA-N 432.575 1.131 30 10 IDEE C#CCN1CCN(c2nnc(C3CC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1300697369 BLUYIHGUFFDPHS-UHFFFAOYSA-N 427.574 1.916 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1300707402 YCSVIYHVASTEDK-UHFFFAOYSA-N 427.574 1.850 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCS(=O)(=O)CC)CC1 1300709651 AEUXLCNVWRBEKW-UHFFFAOYSA-N 447.561 1.056 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)CN(C)C)CC1 1300719647 KGZYPZUFUXQYJT-UHFFFAOYSA-N 426.569 1.232 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1300780620 VAKHZOGAQDEWPX-FOIQADDNSA-N 436.582 1.139 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300896361 DNTDEXWGJVKKJA-QRFQSNJMSA-N 446.552 1.610 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC2(CC1)COC(=O)N2 1301579109 MTCLEESLQVXGPF-UHFFFAOYSA-N 432.506 1.020 30 10 IDEE C#CCN1CCC(NC(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 1311932918 BRORPULTSBCFSK-UHFFFAOYSA-N 442.560 1.766 30 10 IDEE CCCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1313496696 QNZFGPOIOFENLZ-JKSUJKDBSA-N 449.556 1.851 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O)C1[C@H]2CCC[C@H]12 1314701120 LBXIJGURSJGFIK-IRXDYDNUSA-N 430.534 1.513 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2)NC(=O)NC1=O 1324060296 NASQDWABTLDHNO-VGOFRKELSA-N 434.456 1.371 30 10 IDEE CCOc1ccc(NC(=O)CC2(C#N)CCOCC2)cc1S(=O)(=O)N1CCOCC1 1354193963 RVUYNUGQSWSWLV-UHFFFAOYSA-N 437.518 1.755 30 10 IDEE Cc1c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cnn1CCC#N 1356437054 TZNWVHDJULZOLZ-UHFFFAOYSA-N 431.518 1.197 30 10 IDEE Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)c(=O)n1C 1357760851 HNRBTESCEIEIRU-XLNRJJMWSA-N 434.522 1.122 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1COCCO1 1358876920 SZJJADBXPSZPRT-AEFFLSMTSA-N 447.561 1.459 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1358929531 BVQAMNIGCCKKTG-IRXDYDNUSA-N 432.550 1.744 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1358968030 XYHISNFROSMOIR-NLWGTHIKSA-N 438.594 1.893 30 10 IDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1359207689 SRBKYOGWGOSCCD-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC)C1 1359321896 NHHCPXIILYFEGM-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#C[C@H]2CCCCO2)o1 1457032275 RTYVSPWDILRSDN-CVEARBPZSA-N 438.502 1.298 30 10 IDEE COC(=O)c1cnc(CC2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)s1 1460701123 HXIOXTRZRTZUHK-GOSISDBHSA-N 447.605 1.877 30 10 IDEE N#C[C@]12CN(C[C@H](O)COc3ccc(Cl)cc3Br)C[C@H]1CS(=O)(=O)C2 1460878050 FEOLRRWLQSLHQH-DETPVDSQSA-N 449.754 1.712 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC 1464575587 XUIKQKZQZJCLFU-MRXNPFEDSA-N 448.520 1.946 30 10 IDEE C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 1473069294 NGYFBDVKTBLMQL-JKQORVJESA-N 430.505 1.164 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)c(C#N)cn1CC 1476760492 GPDJICUEJFPYQX-OAHLLOKOSA-N 432.525 1.621 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCN1CCC[C@H]1CO 1499153075 JVJKXFMVBSIWFG-FQEVSTJZSA-N 438.580 1.671 30 10 IDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1ccco1 1503381285 APVURGAMFDJPRK-GOSISDBHSA-N 435.488 1.561 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1505076267 MKWZFUOBNCMTAC-YQPJHWBJSA-N 444.536 1.907 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1507544704 AUIYODSHIJTVEY-MSVBSMQLSA-N 438.463 1.981 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2C)CC1 1507617344 UEZDQFGYBPSQIF-IBGZPJMESA-N 443.573 1.721 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC(F)F)c1 1507653788 UOKGYWFEKPTCPE-HNNXBMFYSA-N 429.427 1.960 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507659304 ZPJYOOJREMUELP-WOJBJXKFSA-N 426.565 1.476 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cc2)CC1 1507723870 XMLJXYLNHLNLRK-GOSISDBHSA-N 428.924 1.717 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1507731549 LKFKMUNKMJOXDD-RTBURBONSA-N 432.569 1.698 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507884384 HOMKRTDLTWXJSX-RBUKOAKNSA-N 436.626 1.363 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1508146491 YFCQJUXZVDVAQA-UHFFFAOYSA-N 426.564 1.481 30 10 IDEE Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511892825 XSGGSEWPGATCCY-QZQOTICOSA-N 439.495 1.574 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1515285305 CSAWYRNFNFNUIN-LJQANCHMSA-N 435.532 1.886 30 10 IDEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1517424699 BFFZPQUUQLZIDZ-UHFFFAOYSA-N 426.506 1.007 30 10 IDEE CO[C@@]1(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)CCOC1 1517940977 LIZIOPRKKMUORD-JOCHJYFZSA-N 425.537 1.974 30 10 IDEE C#C[C@H](NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)c1ccc(Br)cc1 1528079569 BWGSDESSJPIECO-AWEZNQCLSA-N 441.285 1.807 30 10 IDEE C[C@@H](CC#N)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1531743683 LHFLAONSQBNVNC-AWEZNQCLSA-N 428.352 1.917 30 10 IDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539331748 XPTJXDDVVRYEMH-UHFFFAOYSA-N 425.558 1.992 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CCOCC1 1539405701 JAQSPYFEOSJFAV-GOSISDBHSA-N 441.532 1.728 30 10 IDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539514190 OYXDUHQKLIPVCK-INIZCTEOSA-N 428.566 1.834 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1540027430 WMNQJWGNNPTNOT-UYAOXDASSA-N 429.569 1.818 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCOCC1 1540162658 QQSDEUSLKWHUOK-UHFFFAOYSA-N 449.519 1.381 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1541088181 AYSNMFZZTCPFLG-FQEVSTJZSA-N 434.504 1.445 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccccc2F)cc(OC)c1OC 1542479355 JBZUFFYQEOLNJJ-AWEZNQCLSA-N 437.449 1.511 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 1543555466 VBHMGOQWXHDISA-UHFFFAOYSA-N 431.543 1.370 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1545705844 HGJVEWAQKCTSGG-INIZCTEOSA-N 439.520 1.360 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1554369365 GOCHKOANFQGPNI-CQSZACIVSA-N 432.550 1.859 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(O)cc1 1555663373 LBHSZCHHUBBSJL-QFBILLFUSA-N 426.521 1.933 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1555995267 CUPKXMSAWSNLOC-IGGDJGDASA-N 425.493 1.438 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555996902 WPEMAKVSNPFHPM-JLUOLNIDSA-N 439.520 1.829 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CC1 1556585706 CGECICHJRAQMPP-JTQLQIEISA-N 428.308 1.934 30 10 IDEE N#Cc1csc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)n1 1558600167 RRZJMWKAOFUNOA-UHFFFAOYSA-N 429.321 1.762 30 10 IDEE COC(=O)c1ccc2c(c1)OCCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1558756652 VTHWBEPJLUWRGY-UHFFFAOYSA-N 443.481 1.323 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)cc1 1569318957 FOMGAGYEHNUZAJ-HXUWFJFHSA-N 444.557 1.921 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1584573949 HYBBUYSQHBKEMQ-ZRCGQRJVSA-N 428.533 1.841 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587831564 QDQQJSPTDYYYRW-INIZCTEOSA-N 447.561 1.846 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1587860800 BISFATKROHYCCE-IBGZPJMESA-N 438.557 1.792 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588044754 CACAYNCBOCQPBA-SFHVURJKSA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1588074864 ULCIJXWUQJNKJW-WOJBJXKFSA-N 444.557 1.951 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1588214124 IZQCVJIITJDMRO-UHFFFAOYSA-N 429.484 1.724 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@@H](n3nncc3I)C2)nn1 1588403648 HXONKHJFKWDEKG-LLVKDONJSA-N 427.250 1.528 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOCC2)CC1 1588780988 ZVFRUBCDRPGTDO-UHFFFAOYSA-N 429.956 1.471 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)NC)C1 1589305524 RVPJHUHOQQXEAZ-KBPBESRZSA-N 430.347 1.873 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1594680081 NBDBCAPDNMDBRA-QZTJIDSGSA-N 440.614 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595784095 CIUZBBMDKFZBKJ-KRWDZBQOSA-N 434.566 1.411 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1595784899 MUYIFDRPRPYPKM-QZTJIDSGSA-N 448.593 1.922 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1596831297 LJAURKYUPFFYRE-SJLPKXTDSA-N 439.582 1.609 30 10 IDEE CS(=O)(=O)c1c(F)cccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1597108734 HFDWDKJSAWLERH-MRXNPFEDSA-N 444.444 1.945 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CC=CCO1 1608571557 HLZPGHJCNFGWRW-IBGZPJMESA-N 435.532 1.960 30 10 IDEE CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1613077256 OLLZEOCQXCDHEX-QHCPKHFHSA-N 440.548 1.957 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@]3(C#N)CC34CCCC4)CC2)cc1 1616822555 DBIBTEULYWTDBC-JOCHJYFZSA-N 446.573 1.737 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CC1(C(N)=O)CCOCC1 1619408491 GESSVQMXZNKNPD-MRXNPFEDSA-N 426.521 1.755 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CO)CC2)CC1=O 1619927407 GFXDKGVTUFQHSQ-LJQANCHMSA-N 438.532 1.520 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1cc[nH]n1 1630630579 BFLPWAOLTIKIGT-QGZVFWFLSA-N 444.879 1.949 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2n[nH]cc2C#N)c1 1630643063 IJOPXCFCZNUDEO-UHFFFAOYSA-N 445.242 1.389 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 1633854058 ZJXZRMMVIYVPQS-QGZVFWFLSA-N 430.505 1.870 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C)CC1 1637147927 QZTNBGCSNTXDBC-KRWDZBQOSA-N 444.598 1.175 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 1639769139 FGVLNNUBCWIPKE-HNNXBMFYSA-N 426.498 1.619 30 10 IDEE C=C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1646304905 TYZUXKPZNLHLTO-GOSISDBHSA-N 433.505 1.613 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1649012363 ZTUAGDZQXHVTSW-UHFFFAOYSA-N 431.470 1.400 30 10 IDEE COCCN(C)CCN1C[C@H](Nc2c(C#N)cnc3c(OC)cc(OC)cc23)CC1=O 1651961175 IDTVXZAJBXDJKR-MRXNPFEDSA-N 427.505 1.715 30 10 IDEE C#CCN(C(=O)CN1CCC[C@@H](C(=O)OC)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1651973750 VLJCAGLXPBTCOL-QGZVFWFLSA-N 435.521 1.259 30 10 IDEE C=CCn1cc(CNC(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)nn1 1654646295 DRBUPCXQGVVLSH-UHFFFAOYSA-N 431.522 1.120 30 10 IDEE COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1cc(Br)ccc1C#N 1663124475 FADQYUGUUZEFTB-ZDUSSCGKSA-N 446.323 1.303 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1674888806 ZFORVBJQUICAPP-TXXWUTRGSA-N 437.537 1.903 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)CC1 1675293050 SNXLJJJMFLORBE-OAHLLOKOSA-N 447.586 1.974 30 10 IDEE C=CCCSCCNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1678692744 VWUBNVNDGIFZNL-UHFFFAOYSA-N 428.360 1.520 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CCOC 1689850418 BERJSFIOPSHSDC-SFHVURJKSA-N 426.569 1.488 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1689961453 YCFGMCMQQKPAHN-UHFFFAOYSA-N 449.559 1.855 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1689984393 OPTRTVCVFMHQHT-KRWDZBQOSA-N 428.518 1.760 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1690464764 KFAYJESMQWRDCI-MSOLQXFVSA-N 441.598 1.830 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690725141 GYGDPJAFMGYGLJ-UHFFFAOYSA-N 434.566 1.562 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1695498353 CPBGEXZGMAYPFT-FQEVSTJZSA-N 448.531 1.705 30 10 IDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1696582229 CJMKKZMREIAOME-UHFFFAOYSA-N 436.520 1.967 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705541307 FLHBCFFPRXJNSI-JKSUJKDBSA-N 435.525 1.908 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705563923 HZESWYYSTILPLX-BCOMRZATSA-N 449.602 1.514 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705568976 BPJAHLMHNNWREZ-GOSISDBHSA-N 448.618 1.356 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(OC)CCOC1 1705595770 FYPFIDVZWBVGRT-HSZRJFAPSA-N 432.484 1.862 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(C(C)=O)CC2)CC1 1705781579 CSDUZKXLUFOYPE-LJQANCHMSA-N 435.594 1.841 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1)C1CC1 1705854458 KRAMBNRNTHLHAF-HZPDHXFCSA-N 427.596 1.661 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)C1 1705903906 YONYRGWGCHIWQI-UHFFFAOYSA-N 447.337 1.597 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1705908558 SGWSUUBJDNQVAF-UHFFFAOYSA-N 426.521 1.516 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1712607514 VPSSOXXALJHDFY-MRXNPFEDSA-N 428.493 1.403 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1722330085 OUPNZPQHNGDVRN-QGZVFWFLSA-N 433.516 1.710 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1722367964 PEGCFCKIWOQUPS-FQEVSTJZSA-N 438.557 1.896 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722464513 IRMWAEZRSYMQDE-LNLFQRSKSA-N 447.605 1.864 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722534765 RFXHVHIRMYQIQX-UHFFFAOYSA-N 429.525 1.039 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2c[nH]nc2C)CC1 1722566145 KRLDSEYIYUNSNO-GOSISDBHSA-N 449.581 1.432 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C2CCCC2)CC1 1722702451 OGTJUUKUMNEKBE-UHFFFAOYSA-N 440.596 1.897 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccccc3F)nnc2N(C)[C@@H](C)CC#N)CC1 1722795636 DBTFXHQTYGNUIK-KRWDZBQOSA-N 427.528 1.910 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1727569426 UOIUJKXXCSITQG-KRWDZBQOSA-N 449.490 1.859 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1727814909 BBGSRXQOQKNZMK-NHWLHPCLSA-N 432.550 1.640 30 10 IDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC[C@H](C3)C4O)n2CC(=O)NCC(F)F)c1 1731180475 BVVLLHYAWCHERI-MCPYQZEQSA-N 430.459 1.795 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2Cl)CCO1 1731188535 HQLJSHYGDDCCKK-CHWSQXEVSA-N 439.900 1.750 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cncn1 1740560347 GZLHNEWAFZYHJY-HXUWFJFHSA-N 433.564 1.392 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1740619059 MBMGJGWWRHTJEK-SFHVURJKSA-N 432.546 1.743 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740620409 WKFWTHNJQJEZCR-FQEVSTJZSA-N 440.573 1.784 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1740629836 BSFJQDQTKHEZRV-KSZLIROESA-N 435.594 1.802 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCS(=O)(=O)CC1 1740635766 QXPMYHYRUBIMPU-UHFFFAOYSA-N 442.541 1.860 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(C)cc1 1740686656 VRZXMYXRLGZOSV-SFHVURJKSA-N 432.546 1.654 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740719139 ZVHYJQOFPCEWBX-KRWDZBQOSA-N 426.546 1.506 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1740724381 AZUDUWTUBBQNKH-ATZDWAIDSA-N 440.639 1.318 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1740861870 CHYBIHHOAHTVIY-MRXNPFEDSA-N 430.509 1.703 30 10 IDEE C=CCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1740949620 NGLUDQJBGOQLSZ-GCJKJVERSA-N 432.569 1.249 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1741003568 XMRJURZAOYIDBY-INIZCTEOSA-N 441.579 1.760 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1CCCn1cnnn1 1748004090 CTJZQXWNZDDZJP-UHFFFAOYSA-N 445.329 1.863 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1748806159 ZXWLQAPNVKZXQK-HNNXBMFYSA-N 436.921 1.686 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1748810122 SEVZYPXEKNFUBS-HNNXBMFYSA-N 431.493 1.013 30 10 IDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1749261916 CLCGPGUFGXONMM-INIZCTEOSA-N 435.960 1.689 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1749275498 DEZDZUJHZCFVGJ-UHFFFAOYSA-N 432.916 1.278 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NC)CC1 1749455073 SJQHMMMGYZANEV-UHFFFAOYSA-N 430.509 1.561 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749456782 AOOVDHRYVSFNQV-FGTMMUONSA-N 440.566 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749724004 FOVJFOONGIZOFC-SFHVURJKSA-N 445.545 1.749 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1749740163 RKIXNNDKDRAQGL-SFHVURJKSA-N 447.561 1.481 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1749881293 DSRQUVINKGGPGF-UHFFFAOYSA-N 445.531 1.407 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750022172 AKSCEAWBRINPEX-ZRZOISBFSA-N 436.488 1.323 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1760187635 KSDJPQOHKVPLPU-QZTJIDSGSA-N 444.561 1.140 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1760189866 QQVBQKQZQHJSJW-GOSISDBHSA-N 444.605 1.863 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)N(C)C)CC1 1760254869 NTKPBAZVYZXXPJ-UHFFFAOYSA-N 432.532 1.569 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCS2)CC1 1760268907 QZJJHPCKHXKZDC-IAGOWNOFSA-N 430.578 1.481 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760279398 BQOUJVLDWLFWLY-MRXNPFEDSA-N 449.606 1.209 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760432814 NBDBCAPDNMDBRA-MSOLQXFVSA-N 440.614 1.403 30 10 IDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O)C1CC1 1760471006 JOLGQKSRFCEYJS-IBGZPJMESA-N 425.555 1.121 30 10 IDEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1760472576 ATDDAMCYVJAGHL-UHFFFAOYSA-N 427.534 1.724 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1760550679 GEVRXOLQOKADKT-FQEVSTJZSA-N 433.534 1.256 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)C1 1761542138 CGVSWDBDGSTNHT-VGOFRKELSA-N 439.495 1.928 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N1CCOCC1 1761871999 CMVNIKQFUIJTBM-KRWDZBQOSA-N 438.536 1.244 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1763922896 ACSGBSCDBHQQJI-HOTGVXAUSA-N 446.577 1.991 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCNC(C)=O)c2ccccc2c1=O 1767163262 VLHABECIGNAHFL-HNNXBMFYSA-N 436.520 1.797 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(C(=O)NC)c1 1767864936 YMHDGSYGQYEKPF-UHFFFAOYSA-N 447.499 1.757 30 10 IDEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1768481081 BESLXDDKAZEUMD-MOPGFXCFSA-N 429.569 1.640 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1769995491 SOPYDWLXUYZDGI-FUHWJXTLSA-N 439.582 1.957 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1770355812 ITSUBGTZCPTRQN-UHFFFAOYSA-N 446.577 1.745 30 10 IDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1850804323 ICNUABCQHJIQRQ-KRWDZBQOSA-N 444.479 1.916 30 10 IDEE O=C(Nc1c(F)c(F)nc(F)c1F)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1851317874 RFLGKFBOEZBDHU-UHFFFAOYSA-N 438.325 1.685 30 10 IDEE Cc1cc(C)c(C#N)c(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)n1 1851410780 OADNUISGSPEPJK-UHFFFAOYSA-N 428.514 1.733 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)O[C@@H]3C[C@H]4C(=O)N(Cc5ccccc5)CC(=O)N4C3)cnc21 1852723385 YTFKKUVCRWSDOF-QUCCMNQESA-N 443.463 1.614 30 10 IDEE N#Cc1ccc(C2CC2)nc1C(=O)O[C@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1852787025 RHYVZCPXSSTJEQ-ICSRJNTNSA-N 430.464 1.999 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCN(C(=O)c4cc5n(n4)CCCC5)CC3)cnc2c1C#N 1852898674 QIPIWKBQMPCAFH-UHFFFAOYSA-N 432.488 1.349 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CC(S(=O)(=O)C4CCCCC4)C3)CC2=O)c1 1853972425 OJQGPUFDUMMTHK-KRWDZBQOSA-N 429.542 1.979 30 10 IDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)[C@@H]1C 1854752134 XTBJIZAMJUBHNX-HNNXBMFYSA-N 425.576 1.784 30 10 IDEE COc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1OC 1870147231 FINLIGITLPBWDF-UHFFFAOYSA-N 446.423 1.563 30 10 IDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870522226 YQHQYCFIVBUAEU-UHFFFAOYSA-N 440.544 1.498 30 10 IDEE CCn1nnc(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1881502051 VCJGKUMWAMYDNP-NWDGAFQWSA-N 428.335 1.505 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CN(C3CCOCC3)C2)[C@H]1c1ccc(C#N)cc1 1891916840 UFUHJEGGRUTGLQ-YADHBBJMSA-N 442.585 1.931 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248403181 BXTJVHGBNIHTNV-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE CCc1nn(C)c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255627210 PMDOZUQVAMPLJK-ZDUSSCGKSA-N 436.362 1.925 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255810990 GWALXQRQDXNNLZ-JKSUJKDBSA-N 433.314 1.091 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255828666 GHHXAQMACFUMKQ-KGLIPLIRSA-N 436.318 1.073 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255850217 GHDDMEUFJFPIOU-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2256629252 RQOFRMSOQXHMLV-UHFFFAOYSA-N 433.314 1.549 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCC2(NC(=O)OC(C)(C)C)CC2)n1 2267196207 OHAADPWXLZDSJX-UHFFFAOYSA-N 449.361 1.682 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267263128 AXPGAQACJKHJMQ-KBPBESRZSA-N 449.361 1.632 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2 2267523769 HALPIOLOTBAXJH-UHFFFAOYSA-N 446.357 1.863 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529790 PXXWJRIPUTUNGU-MIFYACCESA-N 446.357 1.623 30 10 IDEE Cn1nc(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267537472 QGSLZBIHHFIJAA-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 2267539003 IKEOINRYRBKMLI-CYBMUJFWSA-N 449.361 1.632 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267544111 PKDKZUDNNIJPET-ZIAGYGMSSA-N 449.361 1.584 30 10 IDEE CN1CCC(N(Cc2ccccc2)C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2267551604 NIOLSODEAQFKKJ-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2272632002 OBPHOJRGZLYZFV-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@]2(C(N)=O)CCN(C(=O)OC(C)(C)C)C2)n1 2337045107 BPFQIJXANOCFRI-JOCHJYFZSA-N 447.341 1.933 30 10 IDEE CCOC(=O)N1CCN(C(=O)Cc2cc(=O)[nH]c(SCc3ccc(C#N)cc3)n2)CC1 23243380 QTVDMQWWULMKEC-UHFFFAOYSA-N 441.513 1.777 30 10 IDEE CCNC(=O)C[C@H]1S/C(=N/c2ccc(C(=O)OCC)cc2)N(CC(=O)OCC)C1=O 101613814 IHJVXYSZHSGBIK-MESBPSPMSA-N 435.502 1.884 30 10 IDEE CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OCCN 206844945 IBTISPLPBBHVSU-DKWXZSIJSA-N 434.452 1.389 30 10 IDEE N#Cc1cc(I)c(OC[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 391811617 ZTXLYGGXNDQIMX-NSHDSACASA-N 433.202 1.143 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)CC1 410207768 NMWPEBGRULDIRB-QFIPXVFZSA-N 448.523 1.689 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440378116 WBGQLJHDTLKUFG-UHFFFAOYSA-N 427.445 1.017 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 460391542 VCWVHFVRVLTVLO-GOSISDBHSA-N 440.614 1.498 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 460702672 CDXHAYRINLDDDV-WDSOQIARSA-N 433.516 1.719 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCc2cn3c(n2)SCC3)n1 468053846 WQZDORDSTYJIKH-UHFFFAOYSA-N 441.904 1.997 30 10 IDEE N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1F 480918241 SXXFZXBNWBXJCR-UHFFFAOYSA-N 441.444 1.041 30 10 IDEE CN(C)c1ncccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 501267765 FOERIOWJMKFOCY-UHFFFAOYSA-N 428.518 1.235 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(Br)cc2C(C)=O)CC1 505913403 SUYVVFBHPNNRJF-UHFFFAOYSA-N 438.322 1.477 30 10 IDEE CN(C)C(=O)C1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 506094657 PXTKOEFNYRMFPO-UHFFFAOYSA-N 440.504 1.255 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 515543988 AFTISUMKGYZWPH-UHFFFAOYSA-N 432.528 1.628 30 10 IDEE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C#N)c3)C2=O)cc1 526674754 ZZDHQZPZSRRCTR-UHFFFAOYSA-N 444.856 1.819 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2C[C@@H]2CCCO2)c1 549850042 IZQMXHQYUSPSJF-NRFANRHFSA-N 449.559 1.740 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)c1 556803166 MNXDAJNMZBCONR-UHFFFAOYSA-N 436.440 1.133 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 558120265 FLCLVOJTRAZOPL-UHFFFAOYSA-N 434.500 1.013 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2C[C@@H]2CCCO2)cc1 559131997 ICFCMEGFCZHOCT-NRFANRHFSA-N 449.559 1.740 30 10 IDEE COc1cc(CNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)ccc1C#N 563755912 PCODHAOWJJULIM-GASCZTMLSA-N 426.477 1.721 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 568074748 PALHQIPCUJQBJB-ZACQAIPSSA-N 425.555 1.050 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)nc1 585776031 JBTHVPUTMRJGLJ-UHFFFAOYSA-N 432.528 1.823 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 619644395 ARRZHNMPCYJMFZ-UHFFFAOYSA-N 434.456 1.448 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(S(=O)(=O)N2CCCCC2)c1 742401217 TZUKXBSPPWXGLY-UHFFFAOYSA-N 434.543 1.992 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)c2)cn1 748096328 VFXIZWQLEITVNX-QGZVFWFLSA-N 444.561 1.628 30 10 IDEE Cc1nc(C(=O)NC2CCN(c3ccccc3C#N)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 750047009 LAGPWNMBLDEASP-UHFFFAOYSA-N 445.409 1.983 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c1 750433765 HIGHXXBSXCBJQT-UHFFFAOYSA-N 440.481 1.753 30 10 IDEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCOC2)C1=O 751681799 DKNKHLCSEYVSCS-AEFFLSMTSA-N 429.546 1.737 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)OCC[C@H]3C2)c1 763937880 MVLPEBXOEBNVIN-OSGFXRFRSA-N 435.506 1.558 30 10 IDEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771543237 MGIXRTUZKNCLSO-INIZCTEOSA-N 427.534 1.670 30 10 IDEE C#CCOc1ccccc1NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 774374195 VZTYRNPKSKURCU-UHFFFAOYSA-N 432.480 1.967 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CCOCC 782926483 RZVMDFDUPJFCAV-UHFFFAOYSA-N 434.521 1.300 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3cccc(NS(C)(=O)=O)c3)CC2)c1C#N 788313810 PRCUBHOOMABJHJ-CQSZACIVSA-N 445.549 1.565 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCC1CS(=O)(=O)C1 790634446 LARRYEYZKBXIGV-OAHLLOKOSA-N 428.532 1.262 30 10 IDEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 792743920 CXBFXOQLBKSJJF-IRXDYDNUSA-N 429.546 1.197 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 810678562 BTJHMSLMHWOUIJ-GFCCVEGCSA-N 437.396 1.827 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCO3)n2C[C@H]2CCCCO2)n1 812442243 WBEPBZUAPVLPKG-WOJBJXKFSA-N 444.536 1.418 30 10 IDEE CCO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cnn(CC)c2)[C@H]1n1cccn1 814709300 YFZYFAJBFJFCHE-BVIKNXMNSA-N 445.549 1.586 30 10 IDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccccc3)n2)CC1 1083858985 WVDGOJSSLCAUPL-UHFFFAOYSA-N 444.565 1.012 30 10 IDEE CCn1c(CCC(=O)NCc2nc(C#N)cs2)nc2cc(S(=O)(=O)N(C)C)ccc21 1134474412 AWWQHHRJKBQLNT-UHFFFAOYSA-N 446.558 1.884 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)CN(CC)CC)CC3)n[nH]2)c1C 1136684940 FAOWGWSFGLRHAV-UHFFFAOYSA-N 427.553 1.702 30 10 IDEE CCOC(=O)C1(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 1141411552 BJHMEZBMQJJJTO-UHFFFAOYSA-N 449.529 1.141 30 10 IDEE C#CCn1cc(CNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 1156661773 IAFVSBFXXGSQIO-UHFFFAOYSA-N 434.827 1.783 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)[C@]1(O)CCOC1 1162990152 QYOYZFIFXLPVLI-KKSFZXQISA-N 437.562 1.434 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccncc3C#N)CC2)cc1 1166495088 UJZSYEHSXXUGID-UHFFFAOYSA-N 446.554 1.977 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H](O)CC3(CCOCC3)C2)CC1 1175651271 LNOVKDOVELJEGH-NHCUHLMSSA-N 430.524 1.398 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2=O)cc1Cl 1180028426 QOXYMEJDVIBWEM-KGLIPLIRSA-N 426.864 1.455 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CCO2)O1 1197552454 KFMYROMWVZWSSA-SQNIBIBYSA-N 434.562 1.309 30 10 IDEE N#Cc1cn(CCNC(=O)Nc2cccc3c(Br)ccnc23)c(=O)nc1O 1205379034 CEASBFYIRDESOP-UHFFFAOYSA-N 429.234 1.953 30 10 IDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)C2 1248562665 XCDAGECCJFXBLY-HOJAQTOUSA-N 439.564 1.623 30 10 IDEE CC(C)(C)OC(=O)C1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOCC1 1280435337 VAPAGCXFKVNBLN-UHFFFAOYSA-N 437.518 1.499 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1286346427 UDIBOXANLJFLSV-UHFFFAOYSA-N 445.545 1.648 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286377402 XBZWAOLBJFJNRY-HKUYNNGSSA-N 428.562 1.538 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286387290 CHNSSAVNIZQVKR-LJQANCHMSA-N 435.513 1.225 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cnnn1 1286404672 VTFVEFFLMFRERY-UHFFFAOYSA-N 443.284 1.996 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286706020 JBNOSRMDCRKRHB-UHFFFAOYSA-N 435.573 1.639 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286709663 ASMIVNLHSGHSAW-QZTJIDSGSA-N 445.568 1.404 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286710549 ZUZHTJHPJUFGPT-HNNXBMFYSA-N 437.504 1.854 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1286786319 QYDRSWRZVMRMKU-ACJLOTCBSA-N 444.458 1.061 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286795752 LVFWDXQWRGCBTI-JCGIZDLHSA-N 449.533 1.063 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1286808669 DNXOVQHABLLHBS-WOJBJXKFSA-N 432.613 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC2CC2)C1 1286819618 PZURNWADRWSQKK-DLBZAZTESA-N 437.566 1.225 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286823348 VAMQHZYVDKJIHL-IPMKNSEASA-N 431.562 1.583 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCn2ccnc21 1288817630 PPIHZJUPJROHQE-JKSUJKDBSA-N 446.581 1.792 30 10 IDEE CC(C)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1291205800 OABHKSUCGOKZFC-RJCBAWPRSA-N 444.536 1.702 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC(=O)N1C 1291217989 MAHNUQLWPRIZDD-HNNXBMFYSA-N 433.472 1.393 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1296223768 ARUJPSCDOGMSEO-AWEZNQCLSA-N 439.586 1.181 30 10 IDEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@]1(O)CCOC1 1299842315 WQLKYNXBOQNCRO-OAQYLSRUSA-N 435.546 1.253 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2nnc3n2CCC3)c1 1300336986 RMVOTQDAPQPLSB-UHFFFAOYSA-N 434.504 1.457 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300492333 MXPHEBJMZDVYFG-GOSISDBHSA-N 433.578 1.621 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ncccc2N(C)C)CC1 1300719818 RHOUJFJIURHUPO-UHFFFAOYSA-N 432.532 1.748 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1300768199 MMFXAVAOVYFXIF-UHFFFAOYSA-N 443.552 1.628 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1 1300886565 YWFMRCBPAKVSFJ-CLCXKQKWSA-N 445.524 1.419 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300898146 WMUOHOTUHSYOHT-GGPKGHCWSA-N 433.553 1.623 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300990575 WIRZADXWXBMCDY-MRXNPFEDSA-N 427.571 1.235 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1)C1CC1 1301314284 RTWLFMJNHOBUKM-DOTOQJQBSA-N 448.597 1.446 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1301496737 GFORSMHPRQUWBL-UHFFFAOYSA-N 434.504 1.142 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1 1302362576 KQEKOGPUUCKCBE-NRFANRHFSA-N 428.514 1.392 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1302969846 HWYWJSLYNNASDE-KZNAEPCWSA-N 436.582 1.410 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1303435806 DQUJLFVQRUOKIK-IBGZPJMESA-N 426.521 1.973 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)NC(C)C 1305468882 SREMOIMRJKLNSI-AWEZNQCLSA-N 447.565 1.654 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCCC(c2ccccc2)c2ccccc2)c1=O 1307372777 YYQGNYKQIWZKRV-UHFFFAOYSA-N 432.480 1.212 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1315052800 AXDSDCDOPQCNRH-SFHVURJKSA-N 438.532 1.996 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358939909 JOQWEFRJLREKEQ-HSZRJFAPSA-N 440.548 1.668 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1359020243 WMJRHTUKWYHZDN-KRWDZBQOSA-N 432.546 1.865 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1359072466 FBBGTIDRAQXTKQ-FDDCHVKYSA-N 436.516 1.880 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@@H](C)CC)C1 1359321671 KBLBREOPJTYCOK-GVDBMIGSSA-N 439.582 1.266 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1CCOC1 1360241031 YPMQBBHHSNZDSI-KRWDZBQOSA-N 438.536 1.436 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3c(nc2O)CCOC3)c1 1441634785 XNNXDZPLJDICEJ-PTGBLXJZSA-N 430.486 1.925 30 10 IDEE COC(=O)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1442692543 GXPVLXIBPNFTMS-AWEZNQCLSA-N 435.234 1.004 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](C(=O)OC)CC[C@H]3C(=O)OC)ccc2c1=O 1457932264 DOCDCPQXULJFFZ-CJNGLKHVSA-N 445.497 1.438 30 10 IDEE Cn1cc(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)cn1 1465668949 OIBAAKFZGGFJFI-UHFFFAOYSA-N 429.322 1.839 30 10 IDEE Cn1ncc2c1CCCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1468986493 QKVFMWNTHQBWHG-UHFFFAOYSA-N 429.546 1.994 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)CCOC1 1470265889 QIYZCTFILCOPHV-QHCPKHFHSA-N 437.500 1.554 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)C1 1471335622 FSCWUDTYRYSOIP-UXHICEINSA-N 430.574 1.651 30 10 IDEE CC(C)(CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)CS(N)(=O)=O 1479125431 SAZIETMNOWXMLA-UHFFFAOYSA-N 430.534 1.253 30 10 IDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)CCO2 1494665997 IJUVCTNNJXXZAJ-JTSKRJEESA-N 427.505 1.600 30 10 IDEE Cn1cc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1503657149 DEIFDLQKKZMRIQ-HXUWFJFHSA-N 432.488 1.824 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1504652474 UFEIGUUSCRWVNF-FQEVSTJZSA-N 425.489 1.927 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1507546702 HSEGKKIODDMEEF-OAQYLSRUSA-N 445.545 1.007 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507632797 ASKWDYHJFSKLNY-XBBWARJSSA-N 448.614 1.573 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507720001 CVUIACNMZXQDRF-INIZCTEOSA-N 427.940 1.663 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1507984466 XKMHKGQJVHVZIO-VQIMIIECSA-N 429.587 1.420 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1508041915 VTFKCSAXJAURHD-IBGZPJMESA-N 446.596 1.903 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1508076217 SJHXJZPAKRHHSH-LSDHHAIUSA-N 431.468 1.859 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1509761954 QMDGDIQOOVIADD-OAQYLSRUSA-N 442.545 1.356 30 10 IDEE C[C@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)C2 1510364156 PEYKUBBHEDPRFS-NRFANRHFSA-N 426.477 1.247 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)c2ccccc2c1=O 1515945128 UKAYPFWLYSCPHL-CMJOXMDJSA-N 448.531 1.749 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C[C@@H]1C 1519205867 GTEUOHSIOCSOQU-MYGHRHJXSA-N 442.589 1.885 30 10 IDEE N#CC1(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CCSCC1 1523211816 HWFAJSAXKBESQU-AWEZNQCLSA-N 443.572 1.127 30 10 IDEE C=CCc1cc(C(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)cc(OC)c1OC 1534017346 AREUMUVLKVLSKZ-UHFFFAOYSA-N 445.516 1.994 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 1539026013 PXTQRBGYPMHLLH-IRLDBZIGSA-N 438.576 1.516 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCS(C)(=O)=O 1539104837 PYILUSWSZVQDKY-UHFFFAOYSA-N 428.522 1.205 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539224021 BSQDFODMRPHDSR-GOSISDBHSA-N 429.546 1.196 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1539237779 LBCBQVVQSIMBDI-OAQYLSRUSA-N 434.562 1.216 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539430739 MXSBNWPGDSXWFV-QUCCMNQESA-N 432.569 1.016 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539868618 KTYFYGPFANWRND-ZZEZOPTASA-N 439.520 1.443 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539998718 OAVZIKSUYBSCAD-MJGOQNOKSA-N 443.596 1.765 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1540200822 ISBRHNVREXBTMW-GOSISDBHSA-N 447.561 1.826 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cncn2)C1 1540902618 NBGNNHKLJSJGMQ-IRXDYDNUSA-N 435.554 1.206 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)NC)CC1 1540905540 WYZAKRLLJGLTIS-UHFFFAOYSA-N 446.577 1.217 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1541803478 IPSXRGLNGAZLFV-LSDHHAIUSA-N 435.529 1.413 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNS(C)(=O)=O 1542721976 FWHXQFQSGGAIPG-GOSISDBHSA-N 443.577 1.369 30 10 IDEE CCc1noc(C)c1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1546569728 HZIWITRIOGDKLS-KKSFZXQISA-N 430.509 1.955 30 10 IDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCOCC1 1555298929 BASXZARWYLILOF-UHFFFAOYSA-N 445.545 1.495 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1555345829 DBSRNNDMHWZMNB-QGZVFWFLSA-N 432.550 1.571 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1555992767 BIXUCDWLCCUTNL-ZFWWWQNUSA-N 446.449 1.876 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1565156158 CXRYOKPJFLFWQL-INIZCTEOSA-N 443.953 1.793 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC(=O)N1CCOCC1 1566996850 NTWBMJUVDOKVGD-LJQANCHMSA-N 428.489 1.368 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC1 1585000175 QDQIXJWXLOUWSB-IBGZPJMESA-N 432.565 1.450 30 10 IDEE C#CC1(O)CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)CC1 1585304842 ACAMRJNUWZARKA-INIZCTEOSA-N 443.363 1.739 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1OC 1587561605 FOAFANWLKYDTGM-LSDHHAIUSA-N 435.550 1.606 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1588128119 CUELXGHBVZLRKL-HNNXBMFYSA-N 429.502 1.046 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1588139517 OIAPWJZXSLZBKH-ROUUACIJSA-N 433.578 1.510 30 10 IDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594824459 IAQJVWCBOGUONN-UHFFFAOYSA-N 430.553 1.094 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595561974 JREOCXMENPFUHD-WMZOPIPTSA-N 430.578 1.390 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N(C)CCOCc3ccc(C#N)cc3)CC2=O)cn1 1596019044 QLLCCKAAGXEGDP-IBGZPJMESA-N 425.489 1.429 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1596703599 VVURUGWZUBCIQX-HXUWFJFHSA-N 434.504 1.654 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1)S(C)(=O)=O 1596865625 BJDSVLZCVCBISL-CABCVRRESA-N 444.561 1.601 30 10 IDEE COC[C@]1(C(=O)N2CCc3c(sc(N)c3C#N)C2)CN(C(=O)OC(C)(C)C)CCO1 1603046098 TXAUYGXFVULGMA-FQEVSTJZSA-N 436.534 1.739 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)ccc1F 1610914388 MESZITRDQOPPCD-MRXNPFEDSA-N 426.510 1.996 30 10 IDEE N#Cc1cc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)ncc1Br 1612576803 PJCYCKYVUMCTKI-UHFFFAOYSA-N 436.335 1.872 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC(C)C)CCOC1 1616253209 LSMIWISAYDFHEF-KNQAVFIVSA-N 432.569 1.922 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C[C@H]1CS(=O)(=O)C2 1616329645 WHBIHEHJKDVTBC-SUMWQHHRSA-N 435.303 1.645 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1618456439 TWZZVKIRPQMERJ-IAGOWNOFSA-N 436.289 1.956 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)s1 1626581617 JKUMEZOOGZOYEC-UHFFFAOYSA-N 444.556 1.806 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1626744796 KWIZYHWSNAOJSV-UHFFFAOYSA-N 436.578 1.119 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2 1627402201 LRXQALITACLDAO-UHFFFAOYSA-N 431.426 1.112 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2ccccc2F)s1 1630584868 AKGHEZDUZBENAF-KRWDZBQOSA-N 426.491 1.925 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(C#N)c3)CC2)cc1 1640005356 JSLZBCKKDKGLKD-UHFFFAOYSA-N 426.498 1.873 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN(CCO)CCOCC(F)(F)F)CC1 1641747118 KUZNWSMDHWVIOR-OAHLLOKOSA-N 434.484 1.330 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)cc1 1642592584 UAEDLMBZVBTRLV-UHFFFAOYSA-N 435.527 1.409 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc(C(=O)OC)on3)CC2)cc1 1643312385 MYOJSJYKUBCQEM-UHFFFAOYSA-N 431.470 1.393 30 10 IDEE CNC(=O)c1cc(O[C@H]2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)ccn1 1643647238 HRMZIOXVMNOZSI-SFHVURJKSA-N 432.480 1.584 30 10 IDEE COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1645480945 HXWZOGJLAGYICJ-FZKQIMNGSA-N 433.461 1.265 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC(=O)N1CCCCc2ccccc21)c1cc[nH]n1 1646007371 JTZYGEWNJBPGRG-UHFFFAOYSA-N 427.461 1.179 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C#N)C1 1648503337 DTBKBGUXRUOGEI-LAPQFRIASA-N 432.571 1.943 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1648586815 SZOFJIWCVQRQND-PKOBYXMFSA-N 435.502 1.827 30 10 IDEE COc1ccccc1N1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1653653552 SKJMBYHTFBVKCH-KRWDZBQOSA-N 442.541 1.973 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCn3ncc(I)c3C2)c1 1654884920 HGZJBRICBAQNPS-UHFFFAOYSA-N 442.282 1.649 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3cccc(CN4CCSCC4)c3)C[C@H]1CS(=O)(=O)C2 1660452838 QNKZWLDUACZECL-FXAWDEMLSA-N 434.587 1.044 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3csc(C)n3)s2)CC1 1675303281 TXPXADQOCNXLBA-UHFFFAOYSA-N 439.588 1.475 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1689827383 DIDPLBXJAWDDLT-BXTJHSDWSA-N 436.509 1.565 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690154743 YFEOENJMHWGWJC-SFHVURJKSA-N 444.609 1.908 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1690183472 ZVLHXBTXQCSHNI-UHFFFAOYSA-N 436.607 1.520 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690202709 BNGXNYXDZDUBIF-WMZHIEFXSA-N 438.580 1.613 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690361547 YELPVWMHSHBESP-HOCLYGCPSA-N 447.989 1.615 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)NC)C1 1690710140 PCIHFAYZDJCQKE-KRWDZBQOSA-N 444.561 1.681 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1692586031 YPIFBCPXJVOXHU-VGSWGCGISA-N 430.553 1.973 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1694352667 DLWQGZFRLTXGMZ-OXQOHEQNSA-N 435.598 1.363 30 10 IDEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H](C)C1CCC1 1695528843 BKZXAKIPJWIQBX-UDJKBAMHSA-N 443.552 1.958 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1696689050 DHENPCVTGCPEJV-GOSISDBHSA-N 430.534 1.673 30 10 IDEE CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696700833 QUCOBJQXOIWAGP-YGCDDZCOSA-N 438.488 1.650 30 10 IDEE CNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1696954103 SKTKDEWPCOAIIU-QFIPXVFZSA-N 442.520 1.794 30 10 IDEE C[S@@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCC1 1698321331 FMLLKCFIJTXIKX-WVDZOPJMSA-N 439.607 1.611 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705531764 VTWSZGNLLDKYPE-HNNXBMFYSA-N 442.545 1.475 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705567695 YFXCFVIBUUHZBZ-ZIAGYGMSSA-N 434.484 1.997 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC=C 1705573010 WLIUGXRDVDJJEP-UHFFFAOYSA-N 439.541 1.821 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN(C)S(=O)(=O)CC)CC1 1705637368 UIHWACDQGHFOSI-UHFFFAOYSA-N 448.568 1.511 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CCOCC2)CC1 1705642037 DKABZPZCJOVJOX-UHFFFAOYSA-N 439.560 1.771 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCC2)CC1 1705644897 FMGWSXRYVZHTAO-QHCPKHFHSA-N 445.564 1.200 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1705717631 ODJDEPZGWDNYBN-LPHOPBHVSA-N 429.587 1.420 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1705842615 QPCBKWHPOMVGGG-UHFFFAOYSA-N 426.525 1.917 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCCCCC2)C1 1705917345 WERJJVZDNXLRJO-IRXDYDNUSA-N 441.598 1.755 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(F)F)CC1 1705932521 FUXKLFFJCAALJG-UHFFFAOYSA-N 425.505 1.933 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO 1706753586 GQVCTYRRSAANGD-LPHOPBHVSA-N 425.537 1.364 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1711201146 ZNDNGPPDFVGVIX-HSZRJFAPSA-N 438.532 1.711 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1722295802 YHWOVBWYCWQEMQ-OAHLLOKOSA-N 426.546 1.766 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnccn2)CC1 1722322233 PPYFTJZZRSWPML-ICSRJNTNSA-N 425.537 1.922 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@@H](C)C1 1722356953 NIAPAWVNQDFJTA-KRWDZBQOSA-N 430.578 1.840 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1722360588 VHUOMYXPGVWHJA-GOSISDBHSA-N 441.513 1.925 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722368008 OHEVPIFAHYZVAH-QRVBRYPASA-N 437.610 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN(CC)S(C)(=O)=O 1722388787 KTOZPIMNIJCNPQ-UHFFFAOYSA-N 438.557 1.951 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)N(C)C)CC1 1722430720 IQZWOTPSNXMENV-KRWDZBQOSA-N 428.512 1.791 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccccc2)CC1 1722438337 WCFZMGAOTSVMBF-ICSRJNTNSA-N 427.574 1.739 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1722458853 VGCCGXCPYUVUOU-OAHLLOKOSA-N 431.591 1.769 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722462946 USXFKGPHHFIOGS-INIZCTEOSA-N 434.566 1.482 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722464683 OSZMNSIDCCBXLV-GOSISDBHSA-N 440.577 1.736 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)C)CC1 1722692228 XQUFAUGFIVUZPW-UHFFFAOYSA-N 426.525 1.148 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722696288 HTRIVBFMSHCFLW-UHFFFAOYSA-N 445.527 1.534 30 10 IDEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722703650 YHZAXTNNCLGYKF-UHFFFAOYSA-N 430.940 1.765 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)noc2C)C1 1722719273 SEVIFNUQLVSCTO-CVEARBPZSA-N 435.550 1.869 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740620964 ITEVCSLXKVOFSA-DZGCQCFKSA-N 445.467 1.867 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1740637876 DRGDTOWIFPZRRU-HNNXBMFYSA-N 436.497 1.101 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1740671920 RQQKBJXHDORVKK-INIZCTEOSA-N 433.534 1.361 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1740687724 FWROHQZKHMNPNC-UHFFFAOYSA-N 441.532 1.419 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740752505 XKKGAPCKELUKKJ-QSNWEANLSA-N 435.569 1.946 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740791505 JCGSVQWGPNOIFX-KRWDZBQOSA-N 442.524 1.038 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(CC)c2)CC1 1740825673 RDOQXLHKQYOPGV-KRWDZBQOSA-N 435.554 1.032 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743757485 QOSGHACQXGGQJX-HQEVYLJUSA-N 438.536 1.495 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1746540726 ZKFAWRXHVPRPMZ-DLBZAZTESA-N 434.522 1.551 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC(C)C 1747187269 GMPXMXJYMUEITJ-UHFFFAOYSA-N 430.557 1.870 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1747848818 CLJXPFQHWHNQEP-IBGZPJMESA-N 438.532 1.928 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)c1 1748802189 MXWVGULFVXCULO-FPOVZHCZSA-N 425.533 1.956 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748823961 GHGUDEOKMBNUCA-GUDVDZBRSA-N 435.594 1.631 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1748959473 URNPBNPOPGLENJ-QZTJIDSGSA-N 427.553 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)CC)CC1 1749015864 QEHUPIUQUHYOFX-UHFFFAOYSA-N 435.594 1.411 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749033788 MTNLKYSUHXUURW-GJZGRUSLSA-N 432.575 1.938 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCNS(C)(=O)=O 1749124990 SFIAOPVERJUUQA-PKOBYXMFSA-N 449.577 1.920 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749767448 SWOXLSZQROQWIB-VQTJNVASSA-N 437.548 1.500 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOCC2CCOCC2)cc1 1750382787 KVUPMDFHAZAMFL-FQEVSTJZSA-N 438.532 1.962 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750553191 YDPBAYCHKOHZGV-JIQGDJCJSA-N 441.536 1.423 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCCC1 1760112092 AJFNHSDDUOSEGT-QGZVFWFLSA-N 436.564 1.956 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCNC(=O)C2CC2)c1 1760126297 UIWZWJHPIKAADM-UHFFFAOYSA-N 443.511 1.923 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1760186971 BOWYLMKCYFJATK-YTQUADARSA-N 444.561 1.287 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1760191808 NSKNQHRQQGVQGG-QGZVFWFLSA-N 430.530 1.051 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1760219911 RUPJWDYARXANHK-HXUWFJFHSA-N 431.606 1.765 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1760233707 ORAUSRWUQJUPGX-SFHVURJKSA-N 436.564 1.826 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760251632 FDBDFIQTCBSPSE-LJQANCHMSA-N 443.596 1.210 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1760261574 UBUHLDHBWFYLNJ-GBXCKJPGSA-N 441.624 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2=CCCCC2)CC1 1760266420 YDXCMRQMHOWIOK-INIZCTEOSA-N 448.593 1.355 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760523523 AXYHDBCSQQPNCM-SFHVURJKSA-N 445.568 1.548 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760548357 FBJFLYVJVCIHQN-INIZCTEOSA-N 439.582 1.149 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H]1c1nncn1C 1760552390 MBQUFNXFUVLFPR-INIZCTEOSA-N 430.538 1.354 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760805787 IQOLCCQVUYDUSP-YSVRNHBLSA-N 444.561 1.864 30 10 IDEE CCOCc1nnc(N2CCC(OC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766325514 MZXBHUNWFMRZHV-VXPUYCOJSA-N 432.525 1.735 30 10 IDEE CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC)C2)CC1 1767140586 HSKZIXIDPJHDIN-FQEVSTJZSA-N 436.564 1.169 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)c1 1768373910 XEIIYIMNPBIFOG-UHFFFAOYSA-N 448.549 1.642 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@]2(O)CCSC2)cc1 1770732602 DQPIVILIITVILB-OAQYLSRUSA-N 442.545 1.155 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 1772790911 VEOYHKJTIGJFHG-UHFFFAOYSA-N 431.357 1.551 30 10 IDEE C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ncccc2C#N)CC1 1849644607 DLKVNMWWXMMNCC-CYBMUJFWSA-N 435.456 1.247 30 10 IDEE Cc1ccccc1N1C[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1851523751 MNLNPEAYGNJWIH-HXUWFJFHSA-N 433.512 1.980 30 10 IDEE N#Cc1ccc(N2C[C@H](OC(=O)C3CN(C(=O)COc4ccccc4F)C3)CO2)nc1 1852841959 SBBOVVZXIFHVKP-INIZCTEOSA-N 426.404 1.293 30 10 IDEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)[C@@H]1C 1854313845 XNOWUBKDDIWODH-HNNXBMFYSA-N 425.576 1.784 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)[C@H]4CCCO4)C3)CC2)cc1 1855640096 KQGMEHDZLYOPDL-IEBWSBKVSA-N 431.514 1.513 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1856412616 UMAXLIFKOJLTGE-MSOLQXFVSA-N 432.546 1.450 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2C 1865227165 DBJUUKRLQLUQGC-SFHVURJKSA-N 425.489 1.322 30 10 IDEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155389 KMCLRBRZMXOENO-UHFFFAOYSA-N 431.368 1.590 30 10 IDEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874344222 BXLCQQOYBDMGFC-SRZZPIQSSA-N 442.457 1.973 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)COC[C@H]1NC(=O)OC(C)(C)C 1904342724 ADYXSDGYOWLQFQ-JLTOFOAXSA-N 429.514 1.794 30 10 IDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1985958543 YUXKENHRLITFGB-GJZGRUSLSA-N 425.526 1.944 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124516516 TUZGMOMCVMKPGH-QAPCUYQASA-N 448.369 1.919 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255615307 QFLLFRJEWGCFOW-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cc1c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630038 DYZLRDUAPBGUMY-HDJSIYSDSA-N 434.346 1.813 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCNC(=O)OC(C)(C)C)OC)n1 2255636731 YOCJQGWCXYYWCT-UHFFFAOYSA-N 438.334 1.731 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2255655223 JKFDZVDGISCORC-UHFFFAOYSA-N 431.195 1.270 30 10 IDEE Cc1cc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255672928 BMTKNGCCGJYHIH-INIZCTEOSA-N 434.342 1.910 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255692706 DBFWKAOPFVUQLM-OLZOCXBDSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255701231 OEWGZEZSAPDYDH-CVEARBPZSA-N 433.314 1.403 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267003844 VMAAFDQKGDANRV-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE Cn1nc(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267130223 LVTSXLTYJFIUHL-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2267166258 PPNZDIBFUHQJOA-JYJNAYRXSA-N 444.341 1.904 30 10 IDEE Cn1cc(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267522493 VONMGPBSGUUSJY-RCDICMHDSA-N 446.357 1.849 30 10 IDEE C[C@H]1C[C@@H](CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267549249 LAXLUDKCALEPAM-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)cc1OC 2330742462 RNYDXNMEPHLJOH-UHFFFAOYSA-N 434.522 1.432 30 10 IDEE C=CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 9731182 QMENGQFRPVLMAW-UHFFFAOYSA-N 433.530 1.690 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)CC1 32275055 WANVEGVSMIYUQM-LFCNWEHWSA-N 444.620 1.790 30 10 IDEE C#CCN(CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)[C@@H]1CCS(=O)(=O)C1 111192279 WQVNZGYRLOWJBY-XMSQKQJNSA-N 434.558 1.784 30 10 IDEE Cc1ccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1S(=O)(=O)NCC#N 427170751 NFNWUVYLSRMMAK-IBGZPJMESA-N 434.562 1.514 30 10 IDEE COc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c(N2CCN(C(C)=O)CC2)n1 427778105 IRSLODQTXKIRMN-UHFFFAOYSA-N 430.490 1.135 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430964501 FEYWSOWQEAUUDH-UHFFFAOYSA-N 449.580 1.994 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCSC 443552076 UQUHYSUKXLNXSJ-UHFFFAOYSA-N 440.550 1.401 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CC1 447278728 DCRMCLMRYJEVDS-UHFFFAOYSA-N 435.347 1.859 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCOc2ccc(C#N)cc2)C1 461201030 MTCGUTLCOAEKCK-KRWDZBQOSA-N 431.518 1.494 30 10 IDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 467156091 WWEMEGSEPZWBST-CYBMUJFWSA-N 426.489 1.590 30 10 IDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486610758 NMGHLQYHGCIBGU-GOSISDBHSA-N 445.472 1.872 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC1 507036342 IHNLEVMIXFRWNC-UHFFFAOYSA-N 430.368 1.674 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 508938720 MHZXEXZPTWFVJL-GOSISDBHSA-N 446.939 1.966 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 522310039 VCFBYAHOTSBIGE-PMACEKPBSA-N 443.592 1.425 30 10 IDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCCOc1ccc(C#N)cc1 535582176 FQLSMIXLRYWDFR-UHFFFAOYSA-N 439.515 1.686 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(CN3CCOCC3)cn2)CC1 539161900 RUJOCEZLQYMUTK-UHFFFAOYSA-N 448.483 1.996 30 10 IDEE N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 541669382 KKNNILAEKAAOTM-FQEVSTJZSA-N 434.496 1.813 30 10 IDEE C[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCN(c2ccccc2)CC1 544843877 YISOHUVTHAFNBF-HXUWFJFHSA-N 433.560 1.996 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ncccc3C)n2C[C@H]2CCCO2)CC1 549499623 ARPYDFBVUIEXJQ-GOSISDBHSA-N 425.537 1.252 30 10 IDEE CN(C)C(=O)CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 549708149 NJXYMXBZWBQZQM-IBGZPJMESA-N 437.548 1.454 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@H]1CCCO1 590915969 CQYVHMCXWIXHSQ-GFCCVEGCSA-N 437.974 1.833 30 10 IDEE CC(C)C[C@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 608825247 JUAZODBZVKKWJG-CQSZACIVSA-N 430.324 1.857 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C\c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 733150575 NXSKZHYUSNLSHO-JTHGQSKGSA-N 425.529 1.706 30 10 IDEE CCOC(=O)C1=C(COC(=O)c2ccc(C#N)nc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 734601894 OMBFNOIMJFHXFS-LJQANCHMSA-N 436.424 1.990 30 10 IDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1occc1COc1cccc(C#N)c1 735768281 JQMVUPOMLYNDMW-KRWDZBQOSA-N 447.469 1.732 30 10 IDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 749337186 CBHBYBLEZUUQLD-AWEZNQCLSA-N 425.513 1.278 30 10 IDEE O=C(NCC#CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 757471576 SGNDAEYCXJHXNO-QVKFZJNVSA-N 434.448 1.575 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@@H](CC)CO)CC1 759630226 AFGOMSLGTVECOJ-WMZOPIPTSA-N 436.578 1.199 30 10 IDEE COc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 765595849 QDOAKOBBUVGNDV-UHFFFAOYSA-N 447.810 1.441 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)ccc2c1=O 787663847 XFTFNZPZDWJJIA-NWDGAFQWSA-N 432.502 1.057 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 790487396 UGEFIKRSHDCNBZ-JQHSSLGASA-N 445.495 1.985 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 801264349 NMDAUWIBCBOFPI-DLBZAZTESA-N 433.530 1.346 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1C#N 805529460 AZURFIWILRYWMT-UHFFFAOYSA-N 439.516 1.816 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)Cc3ccc(OCC#N)cc3)CC2=O)C1 1180001254 YZRSRGIRJJGJGO-MRXNPFEDSA-N 428.489 1.468 30 10 IDEE NC(=O)NC(=O)CN(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F 1197647305 QKNYSPADZKYATA-UHFFFAOYSA-N 441.222 1.827 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCc1ccco1 1286365460 XJRIHXLJWNWVGA-UHFFFAOYSA-N 439.472 1.950 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1286408255 AYEXMAUFTXLLNK-MRXNPFEDSA-N 428.562 1.160 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1286466503 HKIZTTPYOJXOHW-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1286491344 NXFOPFULPHYZQF-UHFFFAOYSA-N 432.532 1.744 30 10 IDEE C=C(Br)Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286548759 ZEKCZFDVAMIRAF-ZWKOTPCHSA-N 442.358 1.929 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286621854 JNTMDMDGQQODKO-HZPDHXFCSA-N 427.933 1.582 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1286787065 BKURSBNJBJXOFU-QUCCMNQESA-N 441.532 1.759 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCCN3C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286792760 HBMNFUDCOGAUHH-SPEDKVCISA-N 432.569 1.294 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1286794014 SQYWLXPCCYWVTK-IEBWSBKVSA-N 446.596 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286817764 XORSUSSLZIJQDS-DYESRHJHSA-N 432.546 1.930 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286817770 XORSUSSLZIJQDS-UWJYYQICSA-N 432.546 1.930 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC2CC2)C1 1286819621 PZURNWADRWSQKK-SJORKVTESA-N 437.566 1.225 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286820774 RNVOPHOPTJJWEI-RDJZCZTQSA-N 434.566 1.630 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1Cc1ccc(C#N)o1 1288125866 UYMWBFXEJPATRO-INIZCTEOSA-N 439.520 1.672 30 10 IDEE C[C@@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)c2ccc(Br)cc2C1=O 1297054916 WXSNIBYSBIZZGA-JTQLQIEISA-N 446.257 1.869 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1300496702 UDNSWIXFRVBWMX-LSDHHAIUSA-N 432.493 1.428 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300504396 NBZKDSASZLVOIR-QGZVFWFLSA-N 436.509 1.637 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2-n2cccn2)CC1 1300684026 WIQWNEBZEVHDRW-FQEVSTJZSA-N 449.559 1.991 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1300732261 ABHBEILFIWWYRP-WBVHZDCISA-N 441.623 1.650 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)OC)C1 1300756028 CDDLTRZBISTNHX-CQSZACIVSA-N 431.518 1.762 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1300975697 YXOZUIWRNGEUCH-INIZCTEOSA-N 447.561 1.608 30 10 IDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301219775 KBOUQSRTFQNHIL-AWEZNQCLSA-N 444.517 1.869 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1301222722 DPOMQJZQHLTJAN-HZPDHXFCSA-N 429.612 1.909 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301245390 BZZPLLPAMHKDFE-UHFFFAOYSA-N 436.582 1.737 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301496771 GQHBEKHSGSYZTQ-MRXNPFEDSA-N 438.561 1.982 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C)CC1 1301587436 ZTJPMEWDLUWJPP-UHFFFAOYSA-N 431.566 1.571 30 10 IDEE CC(C)c1nnc(N(C)CCN2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302594227 BALMVJPWSXXJBL-MXBQBZSESA-N 445.568 1.473 30 10 IDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1303111284 FYVBAXOTOYZGNC-MSOLQXFVSA-N 428.489 1.550 30 10 IDEE Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1304856121 VUGRSXDUNFWNAD-ANNUQZOISA-N 439.495 1.967 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1 1305092961 ASAJRPWLDUPPNM-MUUNZHRXSA-N 440.591 1.025 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1314728924 IEFORQKKUKPPPZ-GOSISDBHSA-N 434.504 1.833 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1316154859 AYNTYGLWFDNOPU-ZHRRBRCNSA-N 426.521 1.988 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1316357682 XRMQZBWELLHFIE-OALUTQOASA-N 444.561 1.761 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1C 1359019093 KBUCUCKQLDNVKV-OAHLLOKOSA-N 439.969 1.984 30 10 IDEE C#CCSCCn1c(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1359062040 UMUKUOAHHZMTSF-MJGOQNOKSA-N 432.638 1.931 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359206201 XYRIDHZUBSFNFV-QFIPXVFZSA-N 443.552 1.571 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1359275170 MDDASVGFICOLQM-LJQANCHMSA-N 445.589 1.894 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359336664 XYXNCKDLWKXRTN-UHFFFAOYSA-N 437.614 1.919 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359614791 QWZRBEKYODSGOY-XMMPIXPASA-N 449.559 1.990 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1360481232 NAGGWXSQNRGWSC-AWEZNQCLSA-N 426.456 1.946 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccn(-c3cccc(C#N)c3)n1)CCS2(=O)=O 1439952250 PLFDFDWBUJKSDA-TZQQIIETSA-N 442.497 1.373 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 1443745276 PTOBEKWFVFDVGQ-CYBMUJFWSA-N 430.461 1.231 30 10 IDEE COC(=O)CN(CC#N)C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1444545517 KXOFGLHVLJPPPB-UHFFFAOYSA-N 428.486 1.273 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC#N)C(F)(F)F 1455983810 LJPBIQFJRNYZPD-KBPBESRZSA-N 435.424 1.677 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 1458557045 NEWHSDCJURCMKL-UHFFFAOYSA-N 436.950 1.701 30 10 IDEE Cc1c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C 1462127318 LZHNEHUBYZLLEJ-UHFFFAOYSA-N 433.468 1.248 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 1465665848 JTFZLMDQVUHZBO-IAGOWNOFSA-N 431.599 1.813 30 10 IDEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1467670201 PLQLUTVAKWEERT-UULLZXFKSA-N 438.506 1.285 30 10 IDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1470341646 YFUDBICCOMYAFP-UHFFFAOYSA-N 436.516 1.933 30 10 IDEE C[C@H](CC(=O)N1CCN(CCc2ccncc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1470804864 DPZRBAQKVXBBQY-QGZVFWFLSA-N 441.557 1.286 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1471334874 CQUSAXMMPYFITA-IBGZPJMESA-N 432.546 1.003 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)C2)C1 1471389236 AEYZCJJECFHQNS-GBXAEXGJSA-N 446.548 1.263 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](CNS(C)(=O)=O)C2)n(-c2cccc(F)c2)c1C 1473776144 AXWFUCJUILWILR-MRXNPFEDSA-N 447.536 1.915 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1503277788 NTTDOLNBURPKCE-UHFFFAOYSA-N 431.566 1.723 30 10 IDEE CN1C[C@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C)(C#N)CC2)C1=O 1503674784 MOZRRCNKYWPMIU-OAQYLSRUSA-N 441.561 1.878 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCN2CCCCC2=O)c1 1505313705 DLIHTPBTITVLOM-UHFFFAOYSA-N 435.532 1.921 30 10 IDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1507556733 DKPDPPAHDWAAGH-GOSISDBHSA-N 442.545 1.728 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1507605145 QPAJAMVSXHFMOD-HSZRJFAPSA-N 440.548 1.668 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1507623905 YWVDXTMYDHNCBW-MRXNPFEDSA-N 430.596 1.243 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632533 MWQCDSLXBHOELL-ZWKOTPCHSA-N 436.578 1.616 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@H]2C1 1507804180 JBEKWNOFAUVQTJ-DMUMMCEESA-N 433.553 1.794 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)C1 1508123752 JSIJDRIPGFCFAP-HKUYNNGSSA-N 437.610 1.836 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1509821021 YEUNCBLQIQMWOZ-PGRDOPGGSA-N 446.552 1.450 30 10 IDEE CCCNC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1515071529 DNPMTWXBRRZNLJ-CRAIPNDOSA-N 426.477 1.436 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C(C)C)C(C)C)CCO1 1517534240 DKYIHQZLTCOMDQ-FQEVSTJZSA-N 439.564 1.887 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1519605817 FVZXWRNZMYSHQP-FQEVSTJZSA-N 430.534 1.373 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CN(CC(C)C)CCO1 1539002665 GOZJNNCURIZDNH-IAGOWNOFSA-N 428.537 1.821 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1539220521 KFXHMOITYYBCTR-KRWDZBQOSA-N 433.534 1.745 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1539239043 GIPWITWFZAAFHS-AWEZNQCLSA-N 435.937 1.671 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1539296320 OIIAUKHIOKFFAR-GOSISDBHSA-N 429.546 1.739 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@@H]1C 1539405911 PPRSMCJUWXOJOS-HTAPYJJXSA-N 436.520 1.558 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1539417811 VIBMVGBRYZETGW-UHFFFAOYSA-N 442.539 1.258 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1 1540161666 HQKRJLWXWSVKKM-UHFFFAOYSA-N 427.505 2.000 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCN(C)C2)C1 1540892573 ODTPDMDNPMUBDW-ZHRRBRCNSA-N 433.503 1.995 30 10 IDEE C#CCN(C(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1542211006 HRWCCKJYHBNUPG-STQMWFEESA-N 427.548 1.991 30 10 IDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1555573090 LAXKDCMMUDCCHA-JBYIUTFZSA-N 430.553 1.797 30 10 IDEE CS(=O)(=O)NCCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1555819611 SVJDEYMZVBTEIT-KRWDZBQOSA-N 430.534 1.026 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2=O)cc1 1556172435 ZUBJMIUCCPMYSF-BBTUJRGHSA-N 447.413 1.981 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](C#N)CO)c1ccccc1I 1556607499 KWXTWGXIHCFUMJ-GWCFXTLKSA-N 445.257 1.858 30 10 IDEE C=C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1557621537 GYNGGKGNSVFYMN-GOSISDBHSA-N 437.562 1.086 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 1562072309 AFBUPZJAOKJORQ-UHFFFAOYSA-N 429.477 1.268 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)C(=O)OC 1570218510 FKRLRWSGMJYPJS-FQEVSTJZSA-N 442.493 1.662 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)C(=O)OC 1570221356 LMAOCNKRPJWVLU-KRWDZBQOSA-N 430.482 1.815 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC=CO2)c1 1587693290 QYFOJVUHLRGFRE-RBUKOAKNSA-N 434.500 1.978 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1587974901 FIXTZMJMGUEZBB-UHFFFAOYSA-N 443.511 1.974 30 10 IDEE 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C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286509603 ULLOYSBUHMCSAZ-GOSISDBHSA-N 441.557 1.816 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286606200 JCTXSVGDCQHVBW-ZWKOTPCHSA-N 430.553 1.565 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1286638381 ZWBZPDUWCHQXCC-SJORKVTESA-N 449.581 1.445 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](CC)C1 1286789612 GPZOJZPACGISGI-AWEZNQCLSA-N 434.591 1.904 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CCCO)CC1 1286790146 OCLKYOMHAWICSE-UHFFFAOYSA-N 437.548 1.808 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CC1 1286853598 IGEDWVXUTBYASP-CQSZACIVSA-N 427.509 1.860 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1cccc(OC)c1 1293004848 WBSLIYRTBQEJFK-UHFFFAOYSA-N 447.499 1.814 30 10 IDEE CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1296159633 NMKWBZLVSQHGOL-NMQZXRHPSA-N 443.552 1.229 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2[C@@H]2C[C@H]2CF)c1 1298097731 RFQTXRIGVGKZTR-ZMSDIMECSA-N 434.497 1.455 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 1300039635 XNIDILHEIMFJCS-WFASDCNBSA-N 433.452 1.823 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1300409105 PISJQRAMEMWCEN-AQNXPRMDSA-N 427.597 1.637 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1300601642 JQKOXQVNVJVYMH-FCEWJHQRSA-N 425.555 1.076 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1300632006 ZPDGICMYYAVJQH-LJQANCHMSA-N 431.562 1.622 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1300637625 IKIYWQMNCQPPKY-QURGRASLSA-N 445.483 1.715 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C(F)(F)C12CCC2 1300671149 CQQZMJVGITZKGD-HUUCEWRRSA-N 428.505 1.702 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1300695421 AAXGKTLJNPVTGL-GOSISDBHSA-N 433.516 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOC)CCC2)CC1 1300722454 JZLGRBNDZHINSF-GOSISDBHSA-N 442.564 1.402 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300762984 MEQGSXJZIMGTAH-LJQANCHMSA-N 446.621 1.283 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1301194584 MDSZXNAYVFPYRW-HXUWFJFHSA-N 429.613 1.973 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1301422546 OJIQULAJVSCDBK-UHFFFAOYSA-N 448.531 1.921 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301475834 ZYFYCOATNHTCTF-GOSISDBHSA-N 442.495 1.533 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1301956104 DVCUBFUEMBTQLN-MGPUTAFESA-N 433.534 1.750 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)C(F)(F)F)CC1 1312583679 YCWLBDBSHVUYLQ-KDOFPFPSSA-N 449.474 1.794 30 10 IDEE CN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1314688453 UDWGFEPWNJXBMQ-YKHTYXQRSA-N 432.550 1.640 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)cc1OC 1315422679 CWUANULLVLPWRU-CYBMUJFWSA-N 436.419 1.072 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1316354818 FDKXQZXQSNCYOK-QGZVFWFLSA-N 444.561 1.497 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCS2(=O)=O)cc1 1354942304 JRFOQZMLSBJFCX-TXCMAPRMSA-N 427.548 1.795 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(Br)n(C)n2)c1 1355983402 CCBBBWLRSWWEJN-UHFFFAOYSA-N 431.290 1.670 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1359035198 OCIKMQRWGFYLTP-OAQYLSRUSA-N 436.560 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@](=O)CC)CC1 1359046450 RXISRUORAPGCGZ-WJOKGBTCSA-N 445.564 1.742 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359076497 CXACNDIXDOWFTQ-RDBSUJKOSA-N 447.403 1.470 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359091026 INYPDDOBCIDURG-ICSRJNTNSA-N 427.553 1.948 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1359298119 NRAZEENKSFXXRL-UHFFFAOYSA-N 433.516 1.599 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)C1 1359313237 JBJBZQFABPXWDX-GJZGRUSLSA-N 429.612 1.955 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1359635805 RCORIWQDIPFTSK-RBUKOAKNSA-N 426.521 1.565 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1436737632 BIEYYVYRWCMLFZ-UHFFFAOYSA-N 439.564 1.063 30 10 IDEE C[S@](=O)C1(C(=O)NCC2CCN(CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 1444005392 VQALUURPPCCWAX-LJAQVGFWSA-N 426.583 1.486 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 1462874143 MSMUKLHRMWJXRJ-CYBMUJFWSA-N 430.935 1.426 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1[N+](=O)[O-] 1463590231 JVAUFVALZMROSL-UHFFFAOYSA-N 448.432 1.761 30 10 IDEE C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1470003193 DCFAVKCBFGXGQB-NXEZDXNNSA-N 426.539 1.354 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1471750013 BSLMVGAXORIJHQ-NNZMDNLPSA-N 433.530 1.441 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)c1 1472515358 ANDOYEQQVYXTCL-UHFFFAOYSA-N 438.513 1.793 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)[C@@H]2C1 1479235974 MUIOOOIUOVPLGC-OALUTQOASA-N 426.521 1.898 30 10 IDEE CCc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498988745 WZTPVCHSUARAGC-SHQVNNEXSA-N 440.479 1.604 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1501194467 MLMIIHQHNLVDPR-PXNSSMCTSA-N 437.548 1.500 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCC[C@H]1C 1503108375 FOVWINDGJPDVLZ-HYFFOGBASA-N 440.552 1.742 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1505041456 WJESKQHUWYKEGA-WOJBJXKFSA-N 438.532 1.975 30 10 IDEE N#Cc1ccccc1N1CCCN(c2nnc(-c3cnccn3)n2CCOCCCO)CC1 1505319594 CBYFACFPEXWTHM-UHFFFAOYSA-N 448.531 1.722 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1=O 1507523348 KYFBRLYFAQUYNX-QGZVFWFLSA-N 433.520 1.781 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1507539978 YCXHXJLLJXBJDO-WBVHZDCISA-N 432.546 1.898 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1507630959 KDFGNRNHSLUYDC-QGZVFWFLSA-N 426.502 1.620 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1507669984 WWNFLHNDJCDDFA-SFHVURJKSA-N 449.540 1.272 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1507672922 JEDDQQQVYGAAKE-UHFFFAOYSA-N 426.521 1.342 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1507678208 FFHCKDKOMSPKBN-QFIPXVFZSA-N 427.553 1.950 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1507791630 ONNKOJZJGQHVRN-MOPGFXCFSA-N 444.580 1.846 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3nccn3C2)CC1 1507895948 FSNWGZBXJJMWJM-NVXWUHKLSA-N 433.582 1.750 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1)C1CC1 1507993596 SHIMPAURDKGMDO-KRWDZBQOSA-N 429.546 1.677 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1508077183 XTUMYSFTKAYMNM-MRXNPFEDSA-N 444.511 1.918 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1508420479 BMIKGSKDVYBCQF-KJEZJMDVSA-N 449.606 1.745 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1508796085 MDCNXKYIOYAYGX-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1521120927 CMCSWBZWNUDVJL-HXUWFJFHSA-N 449.508 1.286 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C(F)(F)F)cs2)CCO1 1521128940 HMYPIHOLBNKFMJ-MNOVXSKESA-N 441.439 1.676 30 10 IDEE C[C@@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1524670127 MRQGOWGMQSDBIV-KRWDZBQOSA-N 441.532 1.933 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(C(=O)OCC)cs3)CC2)C1=O 1533771904 GJHXBGKVEXTFMY-UHFFFAOYSA-N 448.501 1.078 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539045348 CJNBYXAZDMIRPM-UHFFFAOYSA-N 427.553 1.655 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1539332061 FBYGORPHORAVQS-UHFFFAOYSA-N 441.495 1.889 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC1 1539399154 DOXUVKKSQIQDDJ-UHFFFAOYSA-N 431.562 1.530 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCc1n[nH]c(C)n1 1539400593 IDDYFYLYTVEMBK-UHFFFAOYSA-N 433.314 1.791 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1539431265 SLLCNMLOHUWUGD-YKSBVNFPSA-N 444.624 1.806 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1540171115 VUEHGYZUOCKHTF-QGZVFWFLSA-N 439.582 1.485 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540876047 GCVYEBADKAZFFD-BFYDXBDKSA-N 439.582 1.122 30 10 IDEE CC1(C)SCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1542013904 OSGXWKFZKNENEM-RBSFLKMASA-N 425.580 1.441 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1546769494 GTDKFKYNMHMZQM-ZWKOTPCHSA-N 445.545 1.779 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1555993901 CIBFUCRCKIMCNL-ZWKOTPCHSA-N 426.477 1.384 30 10 IDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1558104717 HFFDBVNZWYKDIA-VIFPVBQESA-N 438.321 1.694 30 10 IDEE C#CCN(CC(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1558632692 JGLIEFNYIWXORG-NRFANRHFSA-N 425.526 1.735 30 10 IDEE CN1CCC(NC(=O)CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CC1 1559721590 ULESBWURUNRVSX-LJQANCHMSA-N 434.382 1.842 30 10 IDEE C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@H](C)COC 1587213791 DCGIFSAPBWAGAJ-OAHLLOKOSA-N 441.525 1.342 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCC(=O)N2)c1 1587697576 TWTGMNUNEDFGOG-HXUWFJFHSA-N 443.511 1.599 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1587723996 YEEMLCCATBAWMG-MRXNPFEDSA-N 442.549 1.594 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(OC)c2)CC1 1588812127 PGYBCHCWRLSSQV-IBGZPJMESA-N 443.573 1.187 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1589069438 KZTUEOFURDZGQE-DLBZAZTESA-N 439.607 1.153 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1589528159 CYADBLXCZGBEPD-AOIWGVFYSA-N 430.553 1.515 30 10 IDEE C=C(C)COCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1593752254 FHYSCSKOTOSBBH-UHFFFAOYSA-N 440.595 1.709 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594661406 TXQSNBJVMSUCOY-INIZCTEOSA-N 429.525 1.247 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1595239008 CXCMXLCDVUTRSU-RBUKOAKNSA-N 443.573 1.899 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(CC)CC)CC1 1595569876 PPPPVFGRUHLPOF-UHFFFAOYSA-N 428.585 1.753 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1610091129 GHUFFWAIZPPMFE-HZPDHXFCSA-N 449.556 1.849 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N(C)C)c(F)c1 1611659363 QBICVNDOVNVRIE-KGLIPLIRSA-N 437.545 1.880 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1CC1 1611708737 FHAWWSMKTPOTOL-INIZCTEOSA-N 443.577 1.492 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1615956149 CEIRSPVBRIPLCC-SFHVURJKSA-N 425.493 1.084 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1618236899 SUGHTZGDXZGTNG-GJZGRUSLSA-N 432.326 1.480 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)c1 1618616008 ZIFJWJZOBCBVHN-YJBOKZPZSA-N 428.493 1.139 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1619627562 NXGCLVKFWSLVDC-NUJGCVRESA-N 444.467 1.648 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCOC1 1620032968 QFWADQCNUZXBCZ-OYWYANMWSA-N 441.532 1.897 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1620162579 RYTPZOLYXMMORR-INIZCTEOSA-N 449.968 1.605 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)s1 1622096508 QFAFJPZFDGASSJ-IRXDYDNUSA-N 427.592 1.515 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1625161050 QPNIUCJUVWDVKD-CCCPALQASA-N 449.451 1.465 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)Cc2ccco2)cc1 1629956463 UQEYHXJZBMSHIK-UHFFFAOYSA-N 431.514 1.166 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CO)(NCC(C)C)CC2)s1 1630570298 PCLGFVPYHYWJTF-UHFFFAOYSA-N 429.608 1.354 30 10 IDEE CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N3CCN(C(=O)CC#N)CC3)cn2c1 1631230860 APMLNVHAACHBCN-UHFFFAOYSA-N 426.477 1.557 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1632250170 PYZDQWJVCRTMNT-BJLXPSRBSA-N 440.610 1.827 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(Cl)ccc2I)c(=O)nc1O 1633550135 KNPGGUGZBCHFSI-UHFFFAOYSA-N 444.616 1.509 30 10 IDEE CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1=O 1637505212 FYBWILHUWXGKAD-GJZGRUSLSA-N 435.484 1.770 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3CCS(=O)(=O)CC3)C2)C1 1637944224 INPMOKHSCFOCQB-NGEICVOHSA-N 425.551 1.714 30 10 IDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1640745307 KZEVEGLNEBBADV-ZIAGYGMSSA-N 434.518 1.049 30 10 IDEE COCCN(C[C@@H](O)CC1(C#N)CCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1642222979 VEEUPTJPBVSUQD-KRWDZBQOSA-N 427.505 1.477 30 10 IDEE COc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)ccc1OCCN(C)C 1643001445 CSYHIDVLHKPATO-UHFFFAOYSA-N 446.529 1.998 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H]4OCCNC(=O)[C@@H]43)C2)C1 1643301111 WNCVIFANXIETGD-CJVVWMNNSA-N 432.521 1.279 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)cc1 1645427350 OGSIJMCTHFQOQE-QGZVFWFLSA-N 435.546 1.973 30 10 IDEE CCc1noc([C@@H]2CC[C@H](NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1646202450 UARRWBZCPPWUCJ-MJBXVCDLSA-N 431.518 1.902 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1C 1648466966 SVXVXERDQUMASD-IBGZPJMESA-N 428.514 1.787 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3ccccc3c2Br)CC1 1650849087 SYOUEXSYUNFBRX-UHFFFAOYSA-N 442.360 1.889 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 1655870323 VPQLULLNGIGCHS-UHFFFAOYSA-N 434.562 1.569 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc4c(c3)C(=O)CCO4)C2=O)cc1 1662734632 HNIOMXBNCZDLHF-GOSISDBHSA-N 425.466 1.997 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)C1=O 1680531488 IHFYKNOXRMJBQT-HNNXBMFYSA-N 428.536 1.354 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](O)COc1ccc(I)cc1 1681197310 KKPSKYASWCAQBK-YUELXQCFSA-N 432.258 1.674 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H](N4CCOCC4)CC3)C2=O)cc1 1682226020 AOFCMHARAKMSGZ-SFTDATJTSA-N 425.533 1.555 30 10 IDEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1683456639 SMVIGCIEHGXDOJ-CALCHBBNSA-N 448.545 1.694 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1689831200 HAFYAZWNTVNGJR-IIBYNOLFSA-N 447.561 1.278 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1690119468 GKENYEBFKJLJMT-PMACEKPBSA-N 437.592 1.983 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1690236854 RWJGXIDVECCIMS-ICSRJNTNSA-N 444.580 1.848 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1690420384 MGCRVCGKCPCXSY-HNNXBMFYSA-N 438.598 1.597 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691512597 KQLDYGNWJYKZHA-QGZVFWFLSA-N 442.955 1.942 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1OC 1697453068 HWEBNBNXAXRBMK-KRWDZBQOSA-N 445.545 1.986 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1705494722 DYNKTLYPVBPKPU-CABCVRRESA-N 430.513 1.221 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705561586 RQDDMJTUPOKGCQ-HXUWFJFHSA-N 441.557 1.384 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)nc1 1705587964 QDOQMPGPUWFTAT-UHFFFAOYSA-N 442.527 1.914 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705598377 IBNYXOFMRCBINN-AABGKKOBSA-N 439.539 1.591 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 1705638690 UBBGNJDOWUGHFG-KRWDZBQOSA-N 448.449 1.931 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(CCN(C)C)CC2)CC1 1705639777 WCQGZZFBFBMOEH-QFIPXVFZSA-N 443.640 1.201 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1705649766 GNSKPBFGQMHHLW-KOSHJBKYSA-N 436.560 1.781 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1705741285 LDYBEVDTLNJAFU-INIZCTEOSA-N 448.593 1.953 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705903667 PQRQJQIWYLNINV-GOSISDBHSA-N 431.562 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@@H](C)C1 1705932831 LJKAVSUAGAHYDI-GJZGRUSLSA-N 434.518 1.888 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CC1 1705988843 BETLEULYDFNWQL-JOCHJYFZSA-N 439.589 1.923 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1706076407 COIWSXJSWGPTKF-KRWDZBQOSA-N 439.545 1.838 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC1CCN(CCN(C)C)CC1 1706601094 CQOIDMJMBGAVMV-UHFFFAOYSA-N 444.628 1.820 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1706644204 QWWWOBQTDGFWAC-UHFFFAOYSA-N 431.504 1.458 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1710195498 BDWPIZCEFHCFHK-UHFFFAOYSA-N 433.520 1.781 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722338674 RRJGBNVOEVAXIS-CVEARBPZSA-N 426.546 1.645 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1722368487 SJHAKIPBBYBKFO-YBXZHIRMSA-N 436.578 1.614 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1722416026 IBBNIDZFDZOCOR-CALCHBBNSA-N 446.552 1.367 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2cc(C)nn2C)n1 1722428613 YVMPOBIZCJGVGI-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722519342 CIJZMTWDJOMRFV-DLBZAZTESA-N 447.517 1.886 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1722643385 LITPHHSRGJLOHI-ZPHPHTNESA-N 441.517 1.418 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1722676444 ALEPOXYYCICGCO-QGZVFWFLSA-N 430.534 1.790 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1722750235 MBZLUEUYLHTMSR-INIZCTEOSA-N 434.518 1.554 30 10 IDEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1723027290 GLTIRXCCPJCWFZ-OAHLLOKOSA-N 447.540 1.546 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC[C@@H]1C 1727658051 ARLUBJAQTPPCDH-PXNSSMCTSA-N 437.548 1.928 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729918834 WQQRALMXUYEHLS-GNDBUYPCSA-N 439.520 1.815 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1730997499 FTRCQDOBZKFIJF-OALUTQOASA-N 445.545 1.636 30 10 IDEE CS(=O)(=O)CCCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1731005957 KUCJUBMLZDNYII-SFHVURJKSA-N 429.546 1.912 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1740542768 BQUVIPUSMQNYBH-MESBPSPMSA-N 448.483 1.701 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CCOC)c1 1740565244 OTYGXGFVIQLBGD-PXNSSMCTSA-N 427.505 1.705 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1740617781 XGADKGMMPCFJNP-LJQANCHMSA-N 432.546 1.595 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@@H]1C 1740676547 GQKPSIRRSPPHFB-QRFQSNJMSA-N 427.480 1.548 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1740917810 FVPHIUYKYNAIDC-XMSQKQJNSA-N 443.573 1.851 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1748674055 OFFMPXIMGGIWPC-IRXDYDNUSA-N 444.540 1.726 30 10 IDEE C#CCCCCn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748709955 BUVADVUBPLGJNI-LJQANCHMSA-N 435.594 1.980 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC 1748833011 FKZXMGZTSFYYOZ-UHFFFAOYSA-N 442.364 1.391 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748851713 KOZZPKYLRXDHPU-IBGZPJMESA-N 447.543 1.142 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1748926331 SXPUXXYBNWXHJT-QUCCMNQESA-N 445.589 1.951 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CC1(C(N)=O)CCOCC1 1748946712 PAJMRTBEJBRDNW-UHFFFAOYSA-N 429.496 1.876 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCCN2C2CC2)CC1 1748978152 NLBBTAFGEZRWRM-CTNGQTDRSA-N 430.597 1.774 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCCCO)CC1 1749010848 QYUUAKVNDIXWQR-UHFFFAOYSA-N 439.516 1.802 30 10 IDEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749438085 QNIDDGWHAOXATD-GOSISDBHSA-N 438.532 1.533 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCS2)C1 1749697396 JUBLANXFLYNIBC-RKVPGOIHSA-N 429.612 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1749736174 GASUISHEUKPJGQ-MRXNPFEDSA-N 447.561 1.145 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1750518111 MUIJMKLTXBWZBV-CQSZACIVSA-N 438.941 1.936 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760122723 QYPPBLHLZWTHEV-UTKZUKDTSA-N 432.546 1.481 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(C(=O)NCC)CCC2)CC1 1760272035 WPZMGZSEPDGMSY-UHFFFAOYSA-N 426.565 1.503 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)C2CC2)CC1 1760272134 ZWDOXJZJXNQHHH-UHFFFAOYSA-N 426.565 1.503 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760272420 JSRUSRCOQKMCTQ-IERDGZPVSA-N 435.594 1.947 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C 1760289422 OIAUKAKMGRDUEY-LJQANCHMSA-N 432.506 1.737 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760326475 WNLHWMVAPGKQQP-GJYPPUQNSA-N 439.582 1.251 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760373767 BQVPOGAIPFVXJB-JYJNAYRXSA-N 445.973 1.226 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1760392129 FKGXOMIQTDNVHK-SFHVURJKSA-N 435.488 1.873 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760517963 DDHDYGAMTRIKCD-HNNXBMFYSA-N 428.493 1.533 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1760524762 IRFQYFFKCWVDDW-OAQYLSRUSA-N 431.924 1.820 30 10 IDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1760531132 DODAWEGFJYGYNI-KRWDZBQOSA-N 449.577 1.898 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)c1 1769186774 GUPZGXWACRVXET-SPEDKVCISA-N 442.495 1.852 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1770019549 YHVJRUWAFBUARL-MDZRGWNJSA-N 425.555 1.567 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC)nc1OC 1770201605 AVOIHTWZFVAUJR-HZUJVAHNSA-N 446.483 1.905 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCOCCCO)cc1 1770740071 IKOKKCFHEWRJSQ-INIZCTEOSA-N 425.411 1.983 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1771222767 MCAUWRCZKHLRSD-XLIONFOSSA-N 428.537 1.841 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1772564697 SIQZTMCXBVXUMT-OAHLLOKOSA-N 438.579 1.398 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)c2cc3n(n2)CCC[C@H]3N2CCOCC2)CC1 1850731480 VYGUPDKIGOAMDK-OAQYLSRUSA-N 449.559 1.963 30 10 IDEE Cc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1851584798 BUPLLALBMDEERC-FQEVSTJZSA-N 433.512 1.980 30 10 IDEE N#Cc1cn(CCN2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)c(=O)nc1O 1851651020 FVCXBHYLNIQEQP-UHFFFAOYSA-N 428.802 1.710 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2Cl)C(=O)C1 1853952825 JBEKFBXUXDNRHK-UHFFFAOYSA-N 433.873 1.650 30 10 IDEE CC1=Nc2ccc(CCC(=O)N3CCN(S(=O)(=O)CC#N)[C@@H](C)C3=O)cc2C1(C)C 1854721910 BICVBYRPKXHGTG-AWEZNQCLSA-N 430.530 1.915 30 10 IDEE C=CCC[C@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 1855333942 FLVJDNYGMBZVRA-YOEHRIQHSA-N 434.514 1.972 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1 1856412584 TUUSTDVVOSLRLF-YJBOKZPZSA-N 436.509 1.342 30 10 IDEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1857016901 NGDPPRQQABGZKC-HZPDHXFCSA-N 431.514 1.247 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)cc1 1857969272 FVYZGEIAQQFDKC-UHFFFAOYSA-N 442.545 1.650 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862595885 JKLLSMLCPVHEFG-GOSISDBHSA-N 441.396 1.720 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2247864210 CDHOGVBMJZVROS-UONOGXRCSA-N 438.355 1.757 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(OCc2ccccc2)C1 2247881139 SEORQRRZZYGGED-UHFFFAOYSA-N 433.339 1.309 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2255696668 XNORRJDKBXVBSY-NWDGAFQWSA-N 425.216 1.368 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2255806667 IQIUKTQLZJLZPZ-DZGCQCFKSA-N 434.346 1.752 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2255816043 YDYWNSBDNFXRLD-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE COCC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2255838249 CLJYMQKRFQTPRB-HNNXBMFYSA-N 437.346 1.974 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267013598 MPWRSVDNSIQYFO-OAHLLOKOSA-N 449.357 1.738 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2267159748 LKRJPYJVNRCCFO-BZUAXINKSA-N 444.341 1.904 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)n1 2267499090 ZFHSHUPAOQSXOT-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2267597572 RESVORCDFIDBND-CYBMUJFWSA-N 447.345 1.386 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269045612 OGKKIADBQNDIQK-GOSISDBHSA-N 439.321 1.696 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2C[C@@H]21 2312855113 YPFCJPVODWGHMB-GUTXKFCHSA-N 432.330 1.837 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1C 2315523726 OYULIVNAFXYUOB-KBPBESRZSA-N 434.346 1.671 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2ccc(OC(=O)c3ccco3)cc2)c1=O 2321656233 MTBICLYLEXSNQX-UHFFFAOYSA-N 428.426 1.727 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(N(C)C)cc2)CC1=O 2329020340 LARQVCQTFUUKEI-HNNXBMFYSA-N 429.550 1.528 30 10 IDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1NC(=O)C(F)(F)F 2337194299 KPOHRZDREVTWNM-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE Cc1cc(C(=O)/C(=C(\S)NCCN2CCOCC2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 23603174 HBLWUYCTWSFPPZ-UHFFFAOYSA-O 430.598 1.846 30 10 IDEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)N[C@H](C)CC)nc12 35481488 WVDDKYOXFOPPLZ-CQSZACIVSA-N 440.504 1.050 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC2)nc(C(C)C)n1 428775613 BUVUPJMJFVTYFU-HXUWFJFHSA-N 449.559 1.977 30 10 IDEE CCOCCCNC(=O)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462097255 JMJYKENUHFFVMA-UHFFFAOYSA-N 425.493 1.926 30 10 IDEE CCOC(=O)[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(OC)c(Br)c1 464062887 RQWOKIMLWJTFHV-BMIGLBTASA-N 436.266 1.902 30 10 IDEE COc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 477936708 MPZTVLXMYVQTIW-UHFFFAOYSA-N 446.504 1.965 30 10 IDEE N#CC1(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN(Cc2ccccc2)CC1 479318595 SFFKGCXXJMEXQQ-UHFFFAOYSA-N 447.451 1.865 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 481500379 FPDFCMHXRGOYMC-QFBILLFUSA-N 443.525 1.763 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1C#N 489864963 VRPOBSRGPTYEQW-ZDUSSCGKSA-N 426.545 1.312 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(Cc4cnc5ccc(C#N)cn45)CC3)C2=O)n(C)n1 507886358 BTUYASZJHDEAMM-HXUWFJFHSA-N 432.532 1.561 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@H]1CCCO1 518217466 WLPUIKPPKHOEFP-GOSISDBHSA-N 425.554 1.735 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 545463041 KMFSBRREZGMNES-HNNXBMFYSA-N 440.485 1.876 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(=O)N(C)C)c1=O 585740370 UYDQGCNOEAMOEE-UHFFFAOYSA-N 427.501 1.318 30 10 IDEE N#Cc1cccc(CN(CCN2CCOCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 586176598 OCPJJDRASXCTTB-UHFFFAOYSA-N 430.486 1.990 30 10 IDEE CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 616171489 HMSQIMWXODDFJV-FQEVSTJZSA-N 441.557 1.877 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 684666212 VCLNFNWSTULGFM-JOCHJYFZSA-N 434.540 1.474 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1 730721009 PVUDCBHNMQHZPT-QGZVFWFLSA-N 431.518 1.883 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)cn1 733077531 BHMLMSMZAKHTGT-KKSFZXQISA-N 449.577 1.516 30 10 IDEE C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 735074007 VNQKBMFUQZJUQC-MRXNPFEDSA-N 428.628 1.209 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(Cc4n[nH]c(C)n4)CC3)ccc2c1=O 735928781 RXPNECPXDDWVAI-UHFFFAOYSA-N 425.518 1.256 30 10 IDEE N#Cc1ccc(CNC(=O)COC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)cc1 747965303 KPBBZJSCZGOGEY-UHFFFAOYSA-N 427.360 1.720 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)Nc1cccc(C#N)c1 755186118 LBZMZVLBCBFVRY-INIZCTEOSA-N 430.461 1.556 30 10 IDEE C#CCN1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ncc(OC)cn3)cc2)CC1 756690954 ABINYLAGRFIZIQ-UHFFFAOYSA-N 429.502 1.570 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 762413675 BNGFQWNQWDUKNV-KKSFZXQISA-N 448.545 1.949 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 767879532 HQVDDYJXUZPATQ-UHFFFAOYSA-N 446.598 1.207 30 10 IDEE COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cncc3ccccc23)c1=O 772900710 NZRPSXXKPAZIBV-UHFFFAOYSA-N 436.537 1.380 30 10 IDEE N#Cc1cccc(CNC(=O)COC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)c1 780254109 GJOATFMAYXNCQO-QHCPKHFHSA-N 437.452 1.803 30 10 IDEE C#CCn1ccc(CN(CCOC)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)n1 789320768 FXEMCQWKJPDGCG-UHFFFAOYSA-N 429.502 1.558 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn1ccccc1=O 790681353 BFHWNTQTJVUUMH-ZHRRBRCNSA-N 427.457 1.486 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)s1 794578258 AEGOVQLKTYNBJQ-GJZGRUSLSA-N 445.566 1.353 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccccc3)c2=O)c1 794596437 NGYZRFRNBCASNG-LJQANCHMSA-N 433.533 1.795 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC(=O)N1Cc1ccccc1 798788189 DKWFFAPMJLPAFZ-PBHICJAKSA-N 426.498 1.031 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H]2CSC2(C)C)C1=O 802719778 AAUMYUJWGKEYKN-ZSHANHNKSA-N 449.646 1.886 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCOC2)c1 812380761 PEALWQCZHBZQIG-HKUYNNGSSA-N 425.489 1.459 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(OC)c1OC 916197288 PPSOSXSKNUZYAJ-OAHLLOKOSA-N 427.482 1.141 30 10 IDEE C#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1277134653 AAPPDQAEPKCYEN-SFHVURJKSA-N 433.574 1.897 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)COC 1286296642 QHKYIROVILNUDE-DLBZAZTESA-N 441.598 1.522 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cccn(CC)c1=O 1286467140 RIIJCKLUOQLRQQ-UHFFFAOYSA-N 426.546 1.950 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC=CCO2)CC1 1286488860 WIFASROZVLNMPA-HKUYNNGSSA-N 431.537 1.313 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1286504786 PZRPDVFZDFHACY-QGZVFWFLSA-N 436.545 1.189 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1286687358 ISIWTVALYIKENG-MRXNPFEDSA-N 436.582 1.531 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N(C)C 1286743209 BTZJGLUIEOVNDS-UHFFFAOYSA-N 427.534 1.819 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCC2)C1 1286810209 OKJRQCCLMLOTGL-IRXDYDNUSA-N 439.582 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CC(N)=O)C1 1286819376 ILOTZHLUVWROHX-MRXNPFEDSA-N 432.550 1.341 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286963171 MBTDFJFWMHWJCN-KGLIPLIRSA-N 437.957 1.871 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1C[C@H](F)C1 1288861875 FPYGNMOCBQYXBT-ANQUJSFKSA-N 439.561 1.203 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CC(C)(C)NC(=O)OCc2ccccc2)CC1 1292890349 WTPTXMGHFOZTSF-UHFFFAOYSA-N 428.533 1.365 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)Cc2c(C)cc(C#N)cc2C)c1 1293034149 VIDIACNKKZTNFA-OAHLLOKOSA-N 428.514 1.769 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 1295606408 ABPKPBFYWTXXQU-UWJYYQICSA-N 440.562 1.489 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1300531812 HPGAAUOZXAHFQX-INIZCTEOSA-N 431.500 1.972 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1300665014 WVCIDXIYSRDIKY-HNNXBMFYSA-N 425.459 1.649 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1300681511 RYSQYJVHWOYHER-FQEVSTJZSA-N 441.555 1.614 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1300709857 ISGXEFBWZNXFQE-UHFFFAOYSA-N 429.521 1.644 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCC[C@@H](C)C2)CC1 1300733614 YALGWDBPPGKAJL-UYAOXDASSA-N 428.581 1.827 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1300756183 HWXWDZBEPJAVPS-HXUWFJFHSA-N 449.584 1.789 30 10 IDEE C=CCN(c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1301324014 PKOIVBOEBDXIBQ-UHFFFAOYSA-N 425.518 1.846 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](CCOC)C1 1301492897 QVOGBHQBRJGKII-INIZCTEOSA-N 427.505 1.881 30 10 IDEE CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1302368875 GSGMKJOKWKXXTN-ROUUACIJSA-N 445.545 1.401 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCC2)C1 1302978277 AVNFDTYWQSIRBC-NRFANRHFSA-N 440.483 1.770 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1303427177 HYDWMJZELFYUKU-UHFFFAOYSA-N 447.547 1.792 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1303531121 CNGJRBVPWIBKSQ-RDTXWAMCSA-N 430.486 1.383 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1306418914 YGKSUILIIQQSAY-VXHFXFQXSA-N 437.504 1.870 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1306824024 HFAOVOIBWNGEFG-UHFFFAOYSA-N 439.534 1.723 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1315052797 AXDSDCDOPQCNRH-GOSISDBHSA-N 438.532 1.996 30 10 IDEE CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315163947 DDUVGMRTISROGD-INIZCTEOSA-N 441.511 1.773 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)c(OC)c1 1315424239 RGGZEQAINAMSPM-KKSFZXQISA-N 429.477 1.497 30 10 IDEE COCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1316039455 AFJQBPYHBKXUGV-SFHVURJKSA-N 448.549 1.156 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1316285874 UZIICXZIPNWINO-ZQIUZPCESA-N 434.438 1.938 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358964618 CHOVKOPOFITVMI-INIZCTEOSA-N 437.591 1.422 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1358968910 BYPPWJJEFDZJGV-QGZVFWFLSA-N 429.546 1.521 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Cl)cn2)CC1 1359028859 GRHOLURPAXXEMC-UHFFFAOYSA-N 439.911 1.231 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](F)COC)CC1 1359036433 WMNUVSOGTIKLRQ-IBGZPJMESA-N 442.543 1.192 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1359142137 BCSGKGATHUVGSP-KGLIPLIRSA-N 426.930 1.694 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359294429 SYVMUGMZCZNJGO-QGZVFWFLSA-N 439.476 1.525 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC(C)C)CC1 1359296608 OUURUAGWOBOOQL-UHFFFAOYSA-N 437.548 1.666 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cs2)CC1 1359302969 ZMZSFIXQKGXYLY-UHFFFAOYSA-N 438.561 1.658 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1360372532 MCMAAGMQSVBGBR-JLUOLNIDSA-N 444.536 1.702 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCN2CCOCC2)[C@H]2CCSC2)c1 1450527372 LQUJMOUOIXAPJZ-HNNXBMFYSA-N 441.550 1.403 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)OC)c1 1457237702 PSTYOXOWQOASGQ-LJQANCHMSA-N 430.482 1.597 30 10 IDEE C=CCN(C)CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1460034254 YNRXEIMQNNSYJZ-UHFFFAOYSA-N 426.558 1.098 30 10 IDEE COC(=O)c1ccc(OC)cc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1463488535 DRDGYGDKAMQWDG-IUODEOHRSA-N 439.490 1.519 30 10 IDEE N#Cc1c(CCCNC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)nn(-c2ccccc2)c1N 1464068093 QZWGFAVSQRTDQD-XGBSXSJOSA-N 427.530 1.731 30 10 IDEE C#CCCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1464609613 AWEVYOKVGSRVED-FPOVZHCZSA-N 433.574 1.101 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CC[C@H](N(C)C)C3)cn2)s1 1466192192 RKZFVDLJRMUYBQ-INIZCTEOSA-N 449.602 1.929 30 10 IDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(N2CCCCC2=O)cc1 1470367475 APIMZQWBDCQJHD-WJPUGNRLSA-N 430.530 1.844 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC2CCOCC2)C(=O)OC)s1 1471580891 KUQLKROJJGNZJM-OAHLLOKOSA-N 430.548 1.229 30 10 IDEE C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472369459 DKJQAVBDRKRUSF-SECBINFHSA-N 436.255 1.329 30 10 IDEE COc1cc(Br)cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 1472617351 AIHQVVOMJTURPK-UHFFFAOYSA-N 438.303 1.924 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(Br)cc1 1478896069 JWBFBCIDGCOLPF-HNNXBMFYSA-N 429.340 1.257 30 10 IDEE C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1494547937 AODRMKKYRAIEKC-VQIMIIECSA-N 444.561 1.571 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1503403683 RJMXAQCHNDRJQC-SFHVURJKSA-N 432.550 1.018 30 10 IDEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1503669691 DVEXMEGXHDWNOV-SFHVURJKSA-N 445.593 1.675 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H](C)O1 1504734989 JORXSOIZFVDQAK-FFZOFVMBSA-N 443.504 1.384 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCn1cc([C@H]2CCOC2)cn1 1505059759 SIRZZSKHTVVYDL-JPLJXNOCSA-N 443.552 1.999 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)c1ccccc1 1507514463 NOOIHGBJYWFMJW-KRWDZBQOSA-N 429.546 1.836 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1507638208 PPCGZQQCDZCBFA-JYJNAYRXSA-N 446.520 1.674 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCOC)cc2)CC1 1507731563 LTOZQBHOAMOEHI-HXUWFJFHSA-N 425.533 1.611 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C(=O)NC 1507751240 LRZZHZQANOSNMN-QAPCUYQASA-N 429.546 1.975 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507799435 KAFANHRGPZHKJD-AABGKKOBSA-N 426.521 1.663 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507805594 MZXMRKXLANIGBE-RTBURBONSA-N 444.580 1.654 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@H](C)CC 1507820359 CDHXOZHTVGYRCC-FUHIMQAGSA-N 443.614 1.811 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1507915122 SWBGRADRZBMIBW-AWEZNQCLSA-N 426.587 1.596 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1507921712 XOUMGIGGIWQURF-UHFFFAOYSA-N 446.596 1.685 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](c2ccccc2)C1 1508059046 LDYPCCWOKILAKZ-RBUKOAKNSA-N 447.561 1.765 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cncn2)C1 1508072005 AMUQNHXGTZZRTD-HNNXBMFYSA-N 427.900 1.729 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1508143265 XTBDQLDIRPAQAI-SQGPQFPESA-N 440.566 1.157 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1511217394 HPGNFVHAVXHOHL-SFHVURJKSA-N 440.504 1.176 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1521062431 CWRZYUBVYYGPDT-NRFANRHFSA-N 436.451 1.703 30 10 IDEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CCC(=O)N2CCOCC2)c1 1521069609 PCNBONQZDKHJLT-UHFFFAOYSA-N 438.532 1.807 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1524820176 AIGYNTFADQJLKC-ZDUSSCGKSA-N 442.335 1.726 30 10 IDEE Cn1nc2c(c1C(=O)N1CCC(Oc3ccc(C#N)cc3F)CC1)CS(=O)(=O)CC2 1531993121 SVDSFTNLQFKXAJ-UHFFFAOYSA-N 432.477 1.585 30 10 IDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539216645 UTZKAVINXIKNME-MRXNPFEDSA-N 441.557 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)cc2)CC1 1539467234 PTRRVXNHSQLTQJ-UHFFFAOYSA-N 438.532 1.439 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1539495976 AEJMIBKOPCSQQJ-OAHLLOKOSA-N 449.602 1.826 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539917551 WFNQQVPALHPEMM-SFHVURJKSA-N 446.596 1.948 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1539967848 VBXRHULEIDGHQF-ZWKOTPCHSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540865302 AYXKHWJBLAHBOU-UHFFFAOYSA-N 433.516 1.614 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540868866 UPLSKFRVIUUZHX-IBGZPJMESA-N 430.472 1.487 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 1540898070 ZBNHKQPCMSOHBW-INIZCTEOSA-N 449.581 1.135 30 10 IDEE COc1ccnc(N2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)n1 1542623278 ULJTXILGCLBNPO-UHFFFAOYSA-N 432.278 1.847 30 10 IDEE COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c(=O)cc1C 1543121523 IJRLBQCLLLGOQS-ATJXCDBQSA-N 446.529 1.868 30 10 IDEE C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NCCc1ccccc1 1543326084 LVDCDMWMYOAMKZ-JXFKEZNVSA-N 447.495 1.627 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1547795962 MWQHHFPTUNIFMW-QFIPXVFZSA-N 440.504 1.901 30 10 IDEE CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1554487015 FTESLCUJSMSDLD-UHFFFAOYSA-N 448.506 1.737 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1 1556973784 WDGYQQGTTKFMOJ-CQSZACIVSA-N 441.531 1.482 30 10 IDEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCOCC1 1558417652 HQDPSUGGNJKQCJ-BRWVUGGUSA-N 440.562 1.345 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(COCc3ccco3)c2)CC1 1563427454 KTAGMDBYUJAYAL-UHFFFAOYSA-N 446.529 1.291 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(C(=O)NCCCO)CC3)C2)C1 1566369503 IFSZVDIPIBKRTA-OTQYULQBSA-N 448.564 1.510 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(C2(C)OCCO2)c1 1569830536 IBCCZPXBTXGVQE-HNNXBMFYSA-N 429.498 1.761 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1570154366 ILGWIJOFVXGCJF-MRXNPFEDSA-N 439.534 1.517 30 10 IDEE Cn1c(=O)c2ccc(C(=O)Oc3c(F)cc(C#N)cc3Br)nc2n(C)c1=O 1586951045 WMPCZWUWHJMJGM-UHFFFAOYSA-N 433.193 1.625 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1587638080 BGKDBQNRBLBUJW-YJBOKZPZSA-N 433.534 1.126 30 10 IDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1587847959 WMDYMUVSIUZBQH-MRXNPFEDSA-N 433.516 1.961 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588044956 DJEWLSHGCOPSNR-JENIJYKNSA-N 431.562 1.725 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588045778 QKZPSUBFMSUWSC-NJNPRVFISA-N 444.557 1.420 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1588181330 RKAUXRMBWYDJQH-SJORKVTESA-N 443.529 1.191 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1c(CC)nn(C)c1OC 1588250934 KTYMDFIQOSEXRA-UHFFFAOYSA-N 434.548 1.955 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCC[C@@H]2C)CC1 1588954452 HTVHCWGMMBPRCS-IBGZPJMESA-N 435.576 1.714 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)CCC)C1 1589068928 GCYNFJXOEDUTCK-ROUUACIJSA-N 439.651 1.715 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1589559354 QJWDHAJGZBVAQH-DENIHFKCSA-N 440.548 1.540 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](OC)C1 1595544005 DRVZBIALWJKNAK-KRWDZBQOSA-N 448.568 1.920 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CCO2)cc1 1598186424 UFUZYMPFRNHMDX-IBGZPJMESA-N 446.554 1.838 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1611302313 GNHJCGMLUYNSMA-YOEHRIQHSA-N 430.534 1.560 30 10 IDEE C=CC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)OCC 1611408580 OPLWHCDKSLYMJR-KBPBESRZSA-N 442.490 1.233 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1618564958 DWZCNSRYQIIWLO-GOSISDBHSA-N 437.548 1.809 30 10 IDEE COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1619919336 SJYOSBDJEHCEOL-QZTJIDSGSA-N 431.518 1.276 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1620158809 HHTKEJSQVKOXBU-MOPGFXCFSA-N 443.529 1.697 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCN(CC#N)CC2)C1 1628350948 SNRDQCIMQMCOEU-NRFANRHFSA-N 438.525 1.002 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCS(=O)(=O)N2CCCC2)C1 1639575646 ICCHNQYAJWWNRC-UHFFFAOYSA-N 441.351 1.299 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1643022948 BWMOKYPBLMJPOC-IAGOWNOFSA-N 439.534 1.251 30 10 IDEE CCc1ccc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1643604978 ALCKZUJGEKCQJO-UHFFFAOYSA-N 426.542 1.743 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644637437 YILXICQVHDJEKN-OZIGNCPNSA-N 449.573 1.353 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1645502639 GPQGELCVMLTGBI-VQHPVUNQSA-N 428.551 1.110 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc4nc(O)n(CC(F)(F)F)c4c3)C[C@H]1CS(=O)(=O)C2 1646439421 FGTWVSCMIRHQOY-ZBEGNZNMSA-N 428.392 1.315 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)C2)c(=O)nc1O 1648028498 CVVTVNJCRLORDG-UHFFFAOYSA-N 449.324 1.256 30 10 IDEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1648217318 PNNUXGLDWXJCTE-IFXJQAMLSA-N 443.481 1.360 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 1662386258 YKSKEPPQQZATAJ-UHFFFAOYSA-N 446.342 1.175 30 10 IDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 1666476641 YPOSJFXAMZKWIW-GOSISDBHSA-N 434.539 1.604 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)CC1 1674028191 ZZPIFIADDCZTCA-UHFFFAOYSA-N 432.506 1.477 30 10 IDEE C#CC1(O)CN(C(=O)NCc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 1685236843 PUMPHJKQGCLPSL-UHFFFAOYSA-N 428.533 1.629 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1689910423 GODUNYSFXUWHHZ-MRXNPFEDSA-N 430.534 1.742 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689985784 BHKKAAAKESFDKK-KRWDZBQOSA-N 446.577 1.011 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1689999687 GSUGIVPNQQQKHV-QFIPXVFZSA-N 438.919 1.413 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(N(C)C)CCSC2)CC1 1690136287 CQACEOPTKIXCIX-QFIPXVFZSA-N 432.638 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([S@@](C)=O)CCC2)CC1 1690146571 QYFUHVVEURQILZ-FZEVHQGJSA-N 447.605 1.787 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690238765 NGIQWGCJDWOLQI-IHPCNDPISA-N 441.532 1.886 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2)C1 1690724845 XGBRJJFOLYVAIA-OALUTQOASA-N 437.610 1.838 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1696619008 QEVNOFHTEKGXOR-UHFFFAOYSA-N 425.537 1.487 30 10 IDEE COCCOCCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1698223124 JNKJAMUSQNDIJA-GOSISDBHSA-N 448.531 1.985 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC2CCOCC2)cc1 1698487841 BWLKUTKEOABUTE-UHFFFAOYSA-N 445.545 1.637 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492686 FEOULVXHCLHJEE-XLIONFOSSA-N 449.490 1.476 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705567162 VDZHKRCZNHQWHV-ZWKOTPCHSA-N 445.545 1.081 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1705589482 RFMSSQIMMSWLIS-KRWDZBQOSA-N 445.593 1.560 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1705819676 RMHIEHFSFPBCGK-HOTGVXAUSA-N 427.571 1.438 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br)C1CC1 1705853807 FCUDEIBJONQFEN-AWEZNQCLSA-N 446.371 1.674 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C 1705898466 MOCQPLBNAHGAME-GJZGRUSLSA-N 439.549 1.553 30 10 IDEE Cc1nccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1707787526 GAAVAAKOECJKQE-UHFFFAOYSA-N 448.531 1.707 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1711415892 CCLKOZPQHWIPMG-SJLPKXTDSA-N 446.533 1.205 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722358850 MOEKBVPZIZEXDB-SJORKVTESA-N 437.566 1.002 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1722360361 TZGTURZNDZZTPX-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722372166 QPGFRWNTQDUCPI-DJPFJPOOSA-N 436.578 1.177 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722703316 ZCSDLEUKHQIVIW-HXUWFJFHSA-N 445.612 1.427 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722744490 SKFIHZVHEKRQLA-QGZVFWFLSA-N 443.577 1.869 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1726699075 OHURNKPTPTWRFE-SYWZAZHRSA-N 432.550 1.640 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1740627895 TXHILVVNKLXOKD-CEXWTWQISA-N 437.610 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccc(OC)c1 1740644799 UWVXRNOTMROTRC-UHFFFAOYSA-N 436.516 1.318 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1740658240 IPQSZNUEFSXSLL-UHFFFAOYSA-N 442.614 1.781 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1740672021 UXOKOXNFCAHTLL-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@H]1C 1740680814 OKJIIGRWMZYKDE-VGSWGCGISA-N 446.573 1.986 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740724837 DSJMMNLAKBVCQY-DNQXCXABSA-N 444.624 1.948 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCNS(C)(=O)=O 1740914949 OMWVGOGLBZXYNX-UHFFFAOYSA-N 437.529 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740992689 LQXLAFCEBCZARO-QZTJIDSGSA-N 444.561 1.112 30 10 IDEE CC(C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741536701 UIWXDPBHEZREAS-SFHVURJKSA-N 439.520 1.827 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOC[C@@H]3CCCO3)CC2)c1C#N 1742670275 ZPIUISZLTMHTNQ-SFHVURJKSA-N 428.541 1.412 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCNS(=O)(=O)Cc1ccon1 1748649192 LACCSZQAMVMGMA-HNNXBMFYSA-N 444.517 1.519 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1748751649 JKJYBPWYJZFZIM-SFHVURJKSA-N 449.581 1.011 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1748820639 GNEYITDWWCFBBE-LJQANCHMSA-N 430.578 1.843 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1748837514 GOQZKLBGQYCCDB-UHFFFAOYSA-N 437.525 1.627 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccc(S(=O)(=O)NC)c1 1748852579 HRACJQCWAYHNGX-UHFFFAOYSA-N 434.525 1.293 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748959048 LZUWNFRNDWXVCS-KRWDZBQOSA-N 435.536 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](OC)c2ccccc2)CC1 1748972966 TVAIUXCJOPEXJG-IEBWSBKVSA-N 446.577 1.031 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1749005284 URAGSYPGQLDFMN-UXHICEINSA-N 443.640 1.783 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749119976 ZCJRIXRURGWPHV-TVFCKZIOSA-N 442.582 1.607 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CC1 1749731010 YXJOTBHKJQILIO-UHFFFAOYSA-N 442.545 1.639 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1750112545 XDSMYNLFZYWPGQ-INIZCTEOSA-N 428.493 1.059 30 10 IDEE Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1751884511 RSJKCFGPSPJJEP-HNENSFHCSA-N 425.449 1.700 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1760096921 WVLGNMNCVVBJJD-HZPDHXFCSA-N 447.490 1.739 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](F)COC)c1 1760127304 VWACNEAJQNMDEF-INIZCTEOSA-N 430.484 1.457 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1760204400 OOWXHFZJBRTAGL-LJQANCHMSA-N 426.542 1.918 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1760265190 RASWKYOVAWLERJ-HKUYNNGSSA-N 442.564 1.153 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760281055 WZUFEGVJKWDBCN-INIZCTEOSA-N 434.591 1.485 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)C1 1760542114 DHGRWQILROJXHQ-KSZLIROESA-N 440.566 1.157 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760562837 XHARQBRARQDEOF-MRXNPFEDSA-N 427.534 1.732 30 10 IDEE C=CCSCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760568239 CIFQEUXZASCJSH-JXFKEZNVSA-N 439.582 1.189 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@](C)=O)CC2)CCOC1 1761285207 WPPMPZDUFVVUNI-UZRRDOIRSA-N 425.530 1.672 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1771251657 VACUNLUFGAJPSD-SIKLNZKXSA-N 427.505 1.864 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1771534690 KXZSSHJGWLCIHP-KRWDZBQOSA-N 446.458 1.855 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 1855698236 MWZNKVPIOJGULY-PKOBYXMFSA-N 432.546 1.450 30 10 IDEE Cc1cccc(O[C@H](C)C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857065904 BZNGQGMSUNQIDI-SJLPKXTDSA-N 433.530 1.703 30 10 IDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1857242848 QHTLPWVJDABPKQ-RBUKOAKNSA-N 437.606 1.854 30 10 IDEE C[C@H]1CC(=O)N(C(=O)CN(C)C)c2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1 1857272016 QHEIIJUDYYQINM-HNNXBMFYSA-N 426.498 1.967 30 10 IDEE CN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(NC(=O)c2cccc(C#N)c2)cn1 1858257627 QODYEAXGRRHOOC-UHFFFAOYSA-N 441.513 1.840 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)CC)cn1CCN1CCOCC1 1870525739 OYVNXLNRTJUOHR-HXUWFJFHSA-N 446.592 1.648 30 10 IDEE CC(C)N(CC#CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(C)C 1891209321 YZSKQOSFIUWZRF-UHFFFAOYSA-N 444.395 1.966 30 10 IDEE C=CC1(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1897685917 OUZSCZVAYLCRNV-HUUCEWRRSA-N 425.526 1.896 30 10 IDEE COC[C@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2060639353 HCYGBGFHVZTCSS-AWEZNQCLSA-N 436.318 1.644 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CO1 2243387023 LYHWFZNSGWNDOQ-NSHDSACASA-N 425.316 1.723 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255623073 IXSUNQHYOBMMQQ-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2255697409 HIHNLRAEOMLRGD-UHFFFAOYSA-N 433.314 1.404 30 10 IDEE Cn1cc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255820434 PYSBWEJJEJUAAD-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256623439 FBVXFADIVURRBN-UONOGXRCSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2267225103 OPEFRWLBDBZAOG-AWEZNQCLSA-N 443.313 1.361 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2 2267364125 UVDJZIWNLCPUQO-UHFFFAOYSA-N 429.369 1.883 30 10 IDEE C[C@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267476668 BJBRTDQGVVBBKX-AWEZNQCLSA-N 447.341 1.481 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](O)[C@H](F)C3)cc2Cl)OC1(C)C 2282307254 ZHLBYEZEQKMCBG-MNOVXSKESA-N 425.740 1.794 30 10 IDEE CO[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284410383 UBRUDOAAGDRJOQ-VIFPVBQESA-N 425.721 1.079 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319677886 SKZHJMIFNFYIKF-QXSJWSMHSA-N 440.346 1.412 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@H](CC(N)=O)C1 2320264356 WPFNNODEYWSAIG-KFWWJZLASA-N 437.346 1.792 30 10 IDEE Cn1cc(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2343634030 KEZFMVOCGXRNKF-FPTDNZKUSA-N 446.357 1.991 30 10 IDEE COCc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)o1 16197897 MTMVRDWEYQOUPI-UHFFFAOYSA-N 435.458 1.692 30 10 IDEE C[C@@H]1CN(c2oc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2C#N)C[C@@H](C)O1 36627690 RNJYDDKYUINWPB-HUUCEWRRSA-N 432.502 1.848 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 96993227 VVKBAWCCTLVPNM-UHFFFAOYSA-N 435.488 1.332 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CCC)NC(=O)NCc2ccc(F)cc2)CC1 105579449 LBHUXRSWNRYNAP-IBGZPJMESA-N 433.528 1.240 30 10 IDEE O=[N+]([O-])c1ccccc1/C=C\C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 254439289 LZUOZPUHUVLPIK-PPPCNCHOSA-N 440.464 1.564 30 10 IDEE COc1ccc(OC)c(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254625944 XLYPMEZEIRYZNL-ZFWWWQNUSA-N 442.515 1.560 30 10 IDEE C[C@H](C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1)n1cnc(C#N)n1 409662437 ZMBGQDCDRCAQAB-OAHLLOKOSA-N 439.501 1.182 30 10 IDEE COCCNC(=O)CN1CCN(c2c(C#N)cnc3c(Br)cccc23)CC1 440635327 DBIPGFVHHDVMFY-UHFFFAOYSA-N 432.322 1.754 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1C 445698219 YEPGQOGPHFTSAY-UHFFFAOYSA-N 431.518 1.662 30 10 IDEE CO[C@H](C)c1noc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 477249950 JLUGYUVKSJFRBZ-CQSZACIVSA-N 447.517 1.708 30 10 IDEE COc1cc(CN(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc(OC)c1 492770085 LHEJASLTYMGQGT-UHFFFAOYSA-N 434.456 1.812 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 503640711 CLGHGNXIZDWYDY-UHFFFAOYSA-N 430.461 1.825 30 10 IDEE COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505019676 VYPWJHCBKQWGHR-SFHVURJKSA-N 440.500 1.945 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 506242292 RURJZZPHNOYDLZ-GOSISDBHSA-N 427.486 1.783 30 10 IDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 508879842 IMMFXAMFMWUMBY-LJQANCHMSA-N 426.521 1.025 30 10 IDEE C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508888878 PXMVXXFCXFQLGV-UHFFFAOYSA-N 430.940 1.765 30 10 IDEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 508937501 XWVMWRFPZFQJCA-UHFFFAOYSA-N 437.548 1.507 30 10 IDEE COc1c(F)cc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1S(N)(=O)=O 511770101 GYKKHDXEFKZJQN-QGZVFWFLSA-N 446.504 1.261 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1C[C@@H]1CCCO1 514658636 QWZLSDAWYLMYKF-ZDUSSCGKSA-N 437.443 1.357 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccccc1C#N 515662380 QLVOKZOTOJXCFR-UHFFFAOYSA-N 430.489 1.337 30 10 IDEE C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 521133005 CLJLHHXAMRWDET-QRVBRYPASA-N 434.558 1.977 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCOCC 527030436 CAQXXQDMBZYVFC-UHFFFAOYSA-N 429.517 1.453 30 10 IDEE C=CC[C@@H](CO)NC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 541776197 PFMKQMXQWXXPCA-GJZGRUSLSA-N 446.367 1.838 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2Cl)ccc1F 543619473 SCWPGMJYCWUZGL-UHFFFAOYSA-N 431.898 1.998 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 555239973 CTCSOXMCYVLPDW-FPXQBCRKSA-N 427.571 1.627 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 555331139 KCVVAWXWWVGYMB-QAPCUYQASA-N 430.505 1.617 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2CCc3c(Cl)cccc3C2)c1 582697944 OZOBIEPXVDHASI-UHFFFAOYSA-N 432.933 1.664 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(N)=O 589159586 VAWVDONLGLTFKE-UHFFFAOYSA-N 439.518 1.160 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccccc1 609563894 LAYYKFGKJMKJHJ-UHFFFAOYSA-N 448.573 1.432 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCc1ccccn1 726182364 RKEPJDHIMFJPLS-UHFFFAOYSA-N 425.477 1.155 30 10 IDEE COc1ccc(CN2C[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)cc1 726729091 KYRDAEFDFYMUET-GOSISDBHSA-N 427.482 1.562 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@@H]1CCS(=O)(=O)C1 729331251 ANJURLIKILULPU-QGZVFWFLSA-N 437.477 1.140 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CCN1C1CC1 732706497 OHDHJCRCWAMHAI-LBPRGKRZSA-N 435.278 1.358 30 10 IDEE C#CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 742213981 SDCUCDJPYRNPRL-SFHVURJKSA-N 430.530 1.828 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(F)c(S(N)(=O)=O)c2)cc1 749621549 UAUMABGJBLKCIQ-HNNXBMFYSA-N 434.474 1.499 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N([C@@H]2CCOC2)C1=O 751693320 SXFYULRUABDYDZ-NVXWUHKLSA-N 449.964 2.000 30 10 IDEE COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)c1 751922646 DRLFWSFYMKOMBD-HNNXBMFYSA-N 444.504 1.968 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 753134450 FCTSMKKFSYDOMU-ROUUACIJSA-N 427.505 1.968 30 10 IDEE C#C[C@@H](NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)[C@@H]1CCCO1 775331327 YLKKZLXUXGLRAH-CABCVRRESA-N 443.319 1.099 30 10 IDEE N#CC1(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CCN(Cc2ccccc2)CC1 778114833 PDPXDWOYBXQQBP-OAQYLSRUSA-N 448.502 1.920 30 10 IDEE C#CCN(C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CCS(=O)(=O)C1 780910253 ZZJVIWLBAKUJQD-IRXDYDNUSA-N 431.493 1.231 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 794579106 PCSAVSRGEKCRNN-MRXNPFEDSA-N 439.537 1.615 30 10 IDEE COc1cccc(/C=C(/C(=O)N2CCN(c3ncccc3C#N)CC2)n2nnnc2C)c1 818091792 LYRRMMRVJMVYIL-ZHZULCJRSA-N 430.472 1.604 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)NCc1ccccc1 916886831 PALGCJUIFJDEGO-HXUWFJFHSA-N 441.509 1.655 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 1136505444 JVVIKRYWFHHJPO-MRXNPFEDSA-N 432.322 1.773 30 10 IDEE COCCNC(=O)Cn1cc(NC(=O)COc2cccc(Br)c2C#N)cn1 1137089097 DZOORFBYOQYCOV-UHFFFAOYSA-N 436.266 1.297 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@]3(C(=O)OCC)CCCOC3)ccc2c1=O 1149735065 ZMMRBICDQIYGRT-OAQYLSRUSA-N 431.514 1.961 30 10 IDEE C[C@@H](CC(=O)NCc1ccc(N2CCNC2=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1153351451 HLAVSKPSPSNZEU-AWEZNQCLSA-N 441.513 1.350 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1164495700 WDTMVROZTWOITM-KRWDZBQOSA-N 446.451 1.032 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)c1 1170073196 SMEKNBJGLOFEHX-LJQANCHMSA-N 430.530 1.177 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2cccnc2)c1 1171208975 NSUQGSAEMPDBPV-OALUTQOASA-N 430.482 1.274 30 10 IDEE N#Cc1c(CCCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)nn(-c2ccccc2)c1N 1253333059 YAVBJTNLAPFUNK-LJQANCHMSA-N 437.548 1.811 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)ccc1F 1276051709 SIKDDUQFZPDSTG-QGZVFWFLSA-N 435.452 1.964 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC2(O)CCC2)c1 1286310749 YWVVJNHKGRUIIL-GOSISDBHSA-N 436.516 1.591 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(C(N)=O)nc1 1286362333 DRZZSBWXFWOHJU-UHFFFAOYSA-N 428.294 1.658 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286386839 IFUPEYMFINZHLM-WHSLLNHNSA-N 448.520 1.251 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1286431221 NHPJSKQDVLYVMH-GOSISDBHSA-N 442.541 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2occc2C)CC1 1286495062 XHZAQZZIBIBYID-KRWDZBQOSA-N 445.545 1.096 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1286514554 KRGUMKYGEPPSDO-JOCHJYFZSA-N 441.557 1.958 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1286582142 RXVOCULGLCWGKD-SFHVURJKSA-N 431.562 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286819888 YYSWEDKWQQRJOZ-INIZCTEOSA-N 445.611 1.055 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286824606 FQOFQQBAGRFXOJ-HUUCEWRRSA-N 429.612 1.691 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1C(C)(C)C 1286824643 GFZFMYDJUAXCGI-INIZCTEOSA-N 439.582 1.004 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1288524248 ANNAEMZVILPLEY-SQNIBIBYSA-N 438.598 1.155 30 10 IDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1298036470 AUPAACVVEGFLPL-IBGZPJMESA-N 444.561 1.304 30 10 IDEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1299024812 FLSTUIFRBTXHBF-KDOFPFPSSA-N 441.513 1.635 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1299332477 CUBRPHKUAVFVIK-GOSISDBHSA-N 425.489 1.748 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1300274253 VFXSMOXRVUAPJJ-LSDHHAIUSA-N 433.534 1.440 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1300495216 FNMIAAALPFRJGR-LAUBAEHRSA-N 433.578 1.114 30 10 IDEE C#CCSCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300778545 YZVSEQHTXYBOGL-NHCUHLMSSA-N 436.578 1.681 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1 1300915648 PPCTVPGZSRUXLM-SJLPKXTDSA-N 440.614 1.496 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1301017161 HBEQKHLQVNESOE-KGLIPLIRSA-N 432.978 1.526 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301514735 MLBWPSWCVKJXSA-LJQANCHMSA-N 446.515 1.208 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1301524793 DKHTWSOPOLLLLZ-AZUAARDMSA-N 441.532 1.736 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCO[C@H](C)C1 1301577236 GGXDAGAOJNWQHA-OAHLLOKOSA-N 434.518 1.890 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1301972840 ZCSJXBXUVGFOJT-HIFRSBDPSA-N 429.550 1.780 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNS(C)(=O)=O 1302683041 QBCXQEZYECJKBH-UHFFFAOYSA-N 431.566 1.539 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cs1 1304653056 VDMDKMVNCGOIKB-CYBMUJFWSA-N 438.579 1.312 30 10 IDEE COC(=O)[C@]1(N2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)CCOC1 1307946334 WCZLRMWXNJNFBX-JTSKRJEESA-N 446.573 1.827 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCC(=O)Nc2ccc(I)cc2)C1 1312686327 RZMCZBMHZCFXCX-HNNXBMFYSA-N 440.285 1.627 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 1314260947 GLNWACXLIJCJCI-IDYZSHNDSA-N 445.545 1.370 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1315060050 TZEFLYNITCZLEL-VQIMIIECSA-N 439.520 1.615 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)noc2C)C[C@H]1O 1315108370 HBGVUNZLDVGNPU-IEBWSBKVSA-N 436.472 1.830 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1316152970 UCKZYXIECZEPHW-UHFFFAOYSA-N 443.552 1.264 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CCOC 1358889666 FKOIKHVBJUXYJE-VGOFRKELSA-N 427.553 1.698 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1358890143 LQIGEUJGQBCHSE-LPHOPBHVSA-N 447.561 1.434 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(C(N)=O)c1 1358946239 NUENYCDKAMCVEO-UHFFFAOYSA-N 437.529 1.455 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358961150 SHHAUAYXRYXHCB-IKGGRYGDSA-N 430.534 1.034 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(OC)CCOC2)CC1 1359036638 CRTIRJVXUULKCB-QHCPKHFHSA-N 425.533 1.438 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359037881 BBLZBABHZCXARO-QHCPKHFHSA-N 440.548 1.273 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)CC1 1359040536 ZAGVNQBMQUWEDE-OTWHNJEPSA-N 444.580 1.983 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1359304441 YCFQPFHPTWZVFO-UHFFFAOYSA-N 441.511 1.168 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1359465406 BLCCKFUZTWGLHB-DYESRHJHSA-N 447.609 1.318 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1359844135 LGSDPUVCHPTARZ-UHFFFAOYSA-N 439.520 1.261 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1360470300 OOFKRMVZMQHUNV-CQSZACIVSA-N 433.494 1.627 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1441069376 PRVOJVRIPMMMBX-OALUTQOASA-N 434.581 1.838 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1446635662 UMFMSWQICUMKFH-UHFFFAOYSA-N 438.550 1.469 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@]1(C(=O)OC)C[C@@H]1S(C)(=O)=O 1455377057 LXWWXXAKHWGYIO-OXJNMPFZSA-N 433.486 1.143 30 10 IDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1456505406 HVHVNSFAJQUYJP-GOSISDBHSA-N 437.537 1.906 30 10 IDEE N#C[C@]12CN(CC(=O)NCc3cccc(COCc4ccco4)c3)C[C@H]1CS(=O)(=O)C2 1460883145 OKLCHCJYWUYNCA-SIKLNZKXSA-N 443.525 1.483 30 10 IDEE N#Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)s1 1461010493 RKQRQJFKQXYUET-ZDUSSCGKSA-N 431.495 1.873 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)Nc1c[nH]cc(I)c1=O 1471908950 KSXRNIJSUYQUCC-UHFFFAOYSA-N 425.182 1.877 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1503258799 FETWZKYXYOHCQM-HDICACEKSA-N 449.533 1.013 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1503293041 ZUVGYVYSIAQXGU-YIKLWRCUSA-N 426.546 1.548 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1503437937 OJEBWWLXXOWIBJ-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1504906169 PPNCEGGTKHJGQH-GOEBONIOSA-N 431.566 1.725 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCOCC2)CCO1 1505322451 ODDXBJPDVXJITD-HNNXBMFYSA-N 446.458 1.125 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507634381 KEHUURLWTZDYLA-OALUTQOASA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507635715 YUZGMOZKYCQWKS-IBGZPJMESA-N 435.594 1.362 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1507642323 IVEHORYGASCNGQ-ZWKOTPCHSA-N 444.561 1.391 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 1507694113 IRBKYTHEMZMKPS-UHFFFAOYSA-N 443.621 1.755 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1507703708 YGGRMCBGTZRMCZ-HXOBKFHXSA-N 441.507 1.719 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCn2ccnc2C)CC1 1507740840 ZOSUNVYOMTXAQO-UHFFFAOYSA-N 432.532 1.435 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1)C1CC1 1507992309 BEDROEZFEFLZKX-FXAWDEMLSA-N 439.582 1.581 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCC2=O)CC1 1508168012 RICBJGBBXXEDQJ-UHFFFAOYSA-N 432.594 1.911 30 10 IDEE CCOCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1516552063 LHGFRBQGBUPJGH-OAHLLOKOSA-N 434.522 1.332 30 10 IDEE CCOCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1516769060 UCMKEUSCDYZVQL-UHFFFAOYSA-N 428.537 1.658 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516833898 LVMPTWQNGSXLIP-LJQANCHMSA-N 443.577 1.451 30 10 IDEE C=CCN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)[C@@H]1CCS(=O)(=O)C1 1528605189 DNVAYVHHICHKNF-UKRRQHHQSA-N 428.304 1.732 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1539123995 BADBILOJTFNISL-QZTJIDSGSA-N 449.552 1.852 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539224131 CNRBXNJJFVPPRK-KNQAVFIVSA-N 446.548 1.904 30 10 IDEE C#CCN(c1nnc(COCC)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539231458 SKXKAERHZQPPJC-SFHVURJKSA-N 445.545 1.470 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539420479 FDBSPIJEOYBXEV-KNQAVFIVSA-N 428.537 1.564 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1539634284 AOLYVPZVATZXAJ-DENIHFKCSA-N 440.548 1.540 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1540067250 BVFNTOYBEOOMBN-QGZVFWFLSA-N 443.500 1.400 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1540119104 GWNGNWBXNJGWKG-JPYJTQIMSA-N 438.532 1.909 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1540121251 QIJJBOXQYGGJBM-HNNXBMFYSA-N 445.549 1.041 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC[C@@H]1C 1540864930 PEVCZOBSMOYRKY-AWEZNQCLSA-N 431.493 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540866906 DYGSTLDGHRYLMP-HNNXBMFYSA-N 440.504 1.076 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCC(=O)NC 1540879603 JDPNDCGPDZCMMC-UHFFFAOYSA-N 426.521 1.700 30 10 IDEE CC(C)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541354703 GWYKCLIBKCVAMX-YGCDDZCOSA-N 441.536 1.519 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1541801702 BDUPLMCXQCXJOA-MAUKXSAKSA-N 441.511 1.992 30 10 IDEE COCCN(CCOC)C1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1557318865 NHGAYADDTPYAMK-MRXNPFEDSA-N 434.924 1.370 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1558329539 RWXKHRGJKXWXIR-DYESRHJHSA-N 449.573 1.365 30 10 IDEE C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1570238721 BWIBDNHECSWCRV-HXUWFJFHSA-N 444.598 1.719 30 10 IDEE C#CCN(CC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)OC(C)(C)C 1585831169 LEJCGIJCTYUJAE-UHFFFAOYSA-N 434.581 1.697 30 10 IDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C1CCOCC1 1586730044 KTCFFIZSYFXAGW-HNNXBMFYSA-N 429.336 1.858 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1587561343 CYTCHGGIRWQEFC-GJZGRUSLSA-N 432.550 1.144 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1587904981 RPODXQZPDYPBHN-LAQRGFTBSA-N 438.532 1.073 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)CN1CCCC1 1587932035 JUDLDEWLOLZIAR-GOSISDBHSA-N 444.605 1.997 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCN(C)C)cc1 1587989792 PHZBWJPREJVITH-LJQANCHMSA-N 445.589 1.628 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588074129 JSQZJPUUYWVPQZ-VQIMIIECSA-N 444.561 1.266 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1588214291 OXYZAQSPFDJXFV-HXUWFJFHSA-N 436.564 1.084 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1589403752 CYQRTHIUDGIGSH-XJKSGUPXSA-N 431.356 1.706 30 10 IDEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593873268 TYTCHOKDNPGDEQ-IUODEOHRSA-N 444.879 1.707 30 10 IDEE C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594788750 SCIQJZAFDOHEOQ-QGZVFWFLSA-N 444.923 1.338 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1595506941 RJUVDNRUFDVMQD-AWEZNQCLSA-N 432.887 1.851 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1595544168 FSRNHXAIAMPKTG-HZPDHXFCSA-N 445.524 1.559 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nccs2)C1 1595562182 PQMKPTQVGWBBLR-MRXNPFEDSA-N 425.518 1.601 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1595608367 RVCOFJLAWRWAIP-CTASWTNQSA-N 431.459 1.939 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2)C1 1595673598 IFXHODWOFXDMIR-CDXJDZJCSA-N 449.577 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1595761028 WNJARBNLYLANFM-INIZCTEOSA-N 441.598 1.801 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1595784901 MUYIFDRPRPYPKM-ZWKOTPCHSA-N 448.593 1.922 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616949809 FAWHGOGRNHKWQF-OZNQOIHVSA-N 432.525 1.592 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1617220450 FVANVZQUTBTTIN-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1618732851 WGZBGFGSCBSCSJ-OAQYLSRUSA-N 435.505 1.886 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1619546724 CSBHAPBRNYILHY-FQEVSTJZSA-N 437.548 1.452 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1620176303 AXWURDJOONSWMQ-QZTJIDSGSA-N 430.534 1.371 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 1620578426 PVZYIAWXGGUTGX-XXBNENTESA-N 449.596 1.391 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1=O 1622074360 CTWIICRRXSEFGZ-NRRJATNASA-N 425.454 1.997 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1627692105 GNGPCBBJLNZOFR-LPHOPBHVSA-N 445.951 1.623 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 1629485834 QOPCYXYDRSBCNW-ZBFHGGJFSA-N 431.436 1.891 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)c1 1632402734 DIYBZGKRGZQMDS-UHFFFAOYSA-N 446.550 1.954 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 1634613344 VZTMKGCYCNGAEX-FQEVSTJZSA-N 447.605 1.082 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1635100028 ISJYDQJTRWKRPB-JKIFEVAISA-N 436.534 1.597 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2ccc3c(c2)OCCO3)CC1 1635906602 HXDPGXVVTGALNC-CQSZACIVSA-N 427.482 1.802 30 10 IDEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1636614323 ULZPTWIOXVKQTF-IBGZPJMESA-N 443.481 1.546 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2(c3ncon3)CCOCC2)C1 1637184316 FFYWJLWTDVDPNG-UHFFFAOYSA-N 432.278 1.962 30 10 IDEE C#CCN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331570 ZGDMEEDQWRHXAT-SFHVURJKSA-N 448.545 1.578 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2ncc(C(=O)OC)s2)s1 1639557654 QSPSDSURCUOXLS-SNVBAGLBSA-N 429.545 1.875 30 10 IDEE C[C@@H](CC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1640714141 NUPPFTFFJQOLRU-LESCRADOSA-N 428.514 1.935 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1647925057 VERZIWYQSRVETI-JOCHJYFZSA-N 439.516 1.577 30 10 IDEE CC(C)(C)OC(=O)NOCCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1652894164 CIVYBAQLIKVJEW-UHFFFAOYSA-N 440.522 1.468 30 10 IDEE N#Cc1cc2c(n(CC(=O)NCC(=O)Nc3ccccc3Br)c1=O)CCC2 1656914491 IFDFFEDKHLYQFV-UHFFFAOYSA-N 429.274 1.726 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)C1 1665314279 KCGFWTCDVVEZNG-QGZVFWFLSA-N 445.568 1.571 30 10 IDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1684586629 XUNWLIOCKAEJPG-SJORKVTESA-N 434.518 1.306 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC2(O)CCOCC2)CC1 1690125259 DLDUCTFHYWZCJF-UHFFFAOYSA-N 445.514 1.834 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2OCC)CC1 1690131414 YXBBLVDXVHCFNR-UHFFFAOYSA-N 436.560 1.911 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1690235830 FFWVCKBZVPGAQP-ICSRJNTNSA-N 444.580 1.944 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690667668 CTHBHGIMOVMIKC-HNNXBMFYSA-N 445.524 1.305 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690727218 XHDYXEYUMCHBCN-RTBURBONSA-N 447.561 1.249 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1693550180 BJVDHJQKMGQBSI-PXNSSMCTSA-N 437.548 1.330 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705532867 RTXXCCMWZURDLC-MOPGFXCFSA-N 445.593 1.719 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705561011 MSWHOBCYDDXRSP-MJGOQNOKSA-N 430.530 1.759 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1705641882 XYQUJWGROJKEOT-HSZRJFAPSA-N 449.647 1.845 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1Cc1cnnn1C 1705857559 HUKLBOJIYAARCQ-UHFFFAOYSA-N 436.520 1.779 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1705876224 RQQABRCBLFYMPK-HNNXBMFYSA-N 425.555 1.883 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1705889991 PVTHJBHZRYGPHI-BZSNNMDCSA-N 429.569 1.042 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705897353 LDZBPFOSQKUUOE-SFHVURJKSA-N 431.585 1.228 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1705930222 IPQGKFPFFGXVMH-UHFFFAOYSA-N 435.554 1.128 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCn1cccn1 1705933260 ZQEWCFXSGQTFJU-UHFFFAOYSA-N 425.518 1.750 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1711028771 ZPSOHIMMZIULHQ-HZPDHXFCSA-N 437.472 1.864 30 10 IDEE COCCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1712414587 VNKGTDPSZBNSJN-FMQUCBEESA-N 446.458 1.756 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)CC1 1722312103 UQOCEMUEFIBJHC-UHFFFAOYSA-N 435.536 1.493 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1722363509 GDEQVBYJTXLIIH-YJBOKZPZSA-N 431.562 1.474 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1722371695 XPOBGILLENSVIV-LJQANCHMSA-N 431.562 1.778 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCN(C)C1 1722377721 FHCCRRMEXVPRRR-HXUWFJFHSA-N 428.334 1.847 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)CC1 1722436491 ABYGVMCGESTZJX-LJQANCHMSA-N 445.564 1.707 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1722452329 DWWKIPBCCUIEBI-UHFFFAOYSA-N 426.546 1.840 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722505359 KBSWEMLBOJUACX-BJLQDIEVSA-N 426.521 1.663 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(N)=O)c2)C1 1722709562 SNNQACNFFKUEPR-SFHVURJKSA-N 426.521 1.539 30 10 IDEE CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1723932762 CIMKDSUIXYAWDU-TXPKVOOTSA-N 441.577 1.451 30 10 IDEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cn1 1729575641 AHGXSYLSXXNQOL-SFHVURJKSA-N 425.518 1.612 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCOCC1 1730880721 KFFYQBQNMBYTAY-KRWDZBQOSA-N 432.525 1.181 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccc[nH]3)n1CC(=O)NCC(F)(F)F)C2 1731182153 VLASLEHHJSELFU-UHFFFAOYSA-N 446.393 1.487 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@H]1C 1740685526 HZLVDDTVTUYKBO-GUDVDZBRSA-N 438.594 1.862 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1740685907 NFFMRJUZWCYZCL-QGZVFWFLSA-N 441.598 1.379 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)NC 1740733080 AZTDCKFTLNYTPP-HXUWFJFHSA-N 427.534 1.058 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740763244 ZUPHRTAGNJCSPY-WMZOPIPTSA-N 430.553 1.978 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740953489 HVFYDRXRNVYHJP-OAHLLOKOSA-N 443.504 1.654 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1741285678 WUHALHHLXFGOPR-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1748666996 LLLNLWJOKWDVPS-CTNGQTDRSA-N 435.576 1.505 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1748751422 HFQZIIXSBJIIKX-IRXDYDNUSA-N 425.555 1.030 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1748771873 PLPDWGFEMSTNFW-XMSQKQJNSA-N 427.553 1.791 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1748811733 KJYWXLGXROMSDU-SJORKVTESA-N 434.591 1.591 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOCC(F)F)CC1 1748979253 WOSRBXLQDWCHNC-HXUWFJFHSA-N 427.496 1.356 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 1749014408 IVZMDIWIULZYBK-UHFFFAOYSA-N 442.951 1.576 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749119928 YLPQTGYGAYCVFB-XAJHFOFHSA-N 427.571 1.077 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1749193765 PKXGGZZOQOLSPB-CABCVRRESA-N 436.538 1.841 30 10 IDEE C=C(C)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749207263 HGFDTCMKFCABTF-NRFANRHFSA-N 429.525 1.482 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 1749659851 KKSJZGQIKLLCTN-UHFFFAOYSA-N 444.492 1.153 30 10 IDEE C[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1752148254 CUYLKXNGGZXICK-UHHPSXQGSA-N 427.509 1.277 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1760120706 OPZGNDKRXURSPB-QGZVFWFLSA-N 426.546 1.775 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1760201923 NFWRWWKASASUHE-UHFFFAOYSA-N 440.511 1.663 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1760248716 CVVZRKCWSIGEQJ-MRXNPFEDSA-N 436.509 1.484 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1760289125 MHKWMKHWRJLPOZ-JLTOFOAXSA-N 431.518 1.657 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)OC 1764139701 KBVBCTOSSPYBBY-CYBMUJFWSA-N 427.509 1.766 30 10 IDEE CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1766689441 SOQBKAOCCMOTPC-UHFFFAOYSA-N 429.550 1.574 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1771130771 YETBTWXZWOLGCP-IAGOWNOFSA-N 430.534 1.154 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(SC)CCOCC1 1771304847 LTPLGPVEZKAFLV-ULQDDVLXSA-N 437.566 1.643 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)F)CC1 1771564847 XAROSJJTCXCMRL-HTXNQAPBSA-N 446.462 1.187 30 10 IDEE C=CCN(C(=O)[C@H](Oc1nc(OC)cc(OC)n1)c1ccccc1)[C@@H]1CCN(C)C1=O 1851342343 BWKCPDJHHJKFKG-VQIMIIECSA-N 426.473 1.859 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1851852514 OTZUABROFPHPRO-HXUWFJFHSA-N 437.452 1.456 30 10 IDEE CN(C[C@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 1853949297 XIHBKRYIGPNCIF-HZPDHXFCSA-N 437.949 1.904 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CCC#N)C(C)(C)C2=O)c1 1855928298 HUOJXIIOJVHSQE-GOSISDBHSA-N 432.546 1.511 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858334473 ICZYKWUTUBLUDL-KRWDZBQOSA-N 433.511 1.502 30 10 IDEE N#Cc1ccc(NC(=O)CCc2nnc(NS(=O)(=O)c3ccc(F)cc3)nc2O)cc1 1860910300 IAUVPZILZCGFSZ-UHFFFAOYSA-N 442.432 1.960 30 10 IDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(O)c2)c1 1862556853 GIUJQWYPZUCFFP-FQEVSTJZSA-N 439.468 1.591 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c(O)c2)cc1 1862689301 NECRQVRXQGFIJG-LJQANCHMSA-N 426.425 1.821 30 10 IDEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870386494 RYFBYDDHCYCWPW-UHFFFAOYSA-N 434.537 1.019 30 10 IDEE COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccnc(C#N)c5)CC4)ncnc32)c1 1890453970 GHIZHGJBKPOAOP-UHFFFAOYSA-N 441.455 1.448 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 2010383425 CQTLEPGPJJGYQZ-CYBMUJFWSA-N 446.289 1.911 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2022845422 HZDMAUOTHLDTPR-QVKFZJNVSA-N 438.525 1.577 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141675308 QNOJDHWUQUOVLQ-QFIPXVFZSA-N 447.341 1.939 30 10 IDEE C=C(CS(=O)(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243417804 WSGUKVPYOOYCPS-SFHVURJKSA-N 434.364 1.369 30 10 IDEE C=C(CS(=O)(=O)NCC1(NC(=O)OC(C)(C)C)COC1)B1OC(C)(C)C(C)(C)O1 2243434679 CFLFBPQRRXHSMG-UHFFFAOYSA-N 432.348 1.387 30 10 IDEE Cc1c(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255529876 OQBBDMHGPNXMGN-ZHACJKMWSA-N 434.346 1.838 30 10 IDEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1NC(=O)OC(C)(C)C 2255627463 TXYDUMFLCLIICR-KGLIPLIRSA-N 436.318 1.073 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825677 DEIPNAOZGHRHJS-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@@H]21 2255843651 JUFDLJZKTAZQCW-GJZGRUSLSA-N 430.314 1.610 30 10 IDEE CCn1cc(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267179031 KIIWBXROVFQEMK-PEBXRYMYSA-N 446.357 1.941 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(CC=Cc3ccccc3)CC2)cc1=O 2328925919 CUIJXFCZOZYQLQ-UHFFFAOYSA-N 448.567 1.827 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(OCC)c1 2330798699 JEGQTINLAMOADR-UHFFFAOYSA-N 435.506 1.946 30 10 IDEE COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 15544784 HIKULZCIDWJUSS-UHFFFAOYSA-N 428.514 1.190 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 22846663 WISLFWOOKJFXRG-UHFFFAOYSA-N 434.544 1.824 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3cccc(OC)c3)o2)c1=O 101350976 MDRNJDYPSKGYJO-UHFFFAOYSA-N 443.485 1.744 30 10 IDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3cc(OC)ccc3OC)C2)c1=O 101764732 HAYRSEPXHVSYAG-OAHLLOKOSA-N 428.445 1.533 30 10 IDEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 103936677 YGXMAVAENZGQQP-HBNHWDEFSA-N 449.445 1.650 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 427367408 SIHQHUSOBPEVCO-IBGZPJMESA-N 443.463 1.266 30 10 IDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465124053 VNKUVPVQVPBEOD-OAHLLOKOSA-N 444.499 1.472 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1C#N 489662602 FXXKLLYMYRXIOP-RBUKOAKNSA-N 425.514 1.139 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 508472664 LASYLMITSRUOBO-QGZVFWFLSA-N 437.497 1.202 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CCO1 519273025 DAIBYWBQMRVTBU-UKRRQHHQSA-N 428.308 1.353 30 10 IDEE COC(=O)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)Cc1cccc(F)c1 521578111 VKOGQHQYDUPFRR-GOSISDBHSA-N 432.473 1.760 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 549504278 BVGYXMBPWRBZRQ-LAUBAEHRSA-N 449.559 1.785 30 10 IDEE CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NCCOc1ccc(C#N)cc1)C2 551299810 WAUZLEMYKLKIEE-UHFFFAOYSA-N 428.514 1.955 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 572446534 ZQVRMDRLEOJGGS-JYJNAYRXSA-N 429.612 1.907 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)nc1 608967562 BFEQAHJDQLHHBK-ABSDTBQOSA-N 428.562 1.764 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c1 614909463 PBYAXACKDVTRPK-UHFFFAOYSA-N 425.554 1.279 30 10 IDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl 615307014 HFGZIBIYLKNOEW-GOSISDBHSA-N 436.859 1.806 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12 725825415 BPSPJJZMOYXXIK-GFCCVEGCSA-N 428.919 1.708 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)cc1 730140993 YKFHOMACAHXUMH-QGZVFWFLSA-N 433.578 1.519 30 10 IDEE C[C@@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)C(=O)NC[C@@H]1CCCO1 734179665 OAPNGYDSWMZKMJ-ZJUUUORDSA-N 433.408 1.997 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cscn2)cn1 741450593 XZNZBEAISWWYGX-INIZCTEOSA-N 449.606 1.949 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(OC)c(C#N)c2)cc1 747446761 FWOWEJHBRJMXDE-UHFFFAOYSA-N 431.470 1.338 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1C#N 747496155 ZKCSYHXLYRWHSD-UHFFFAOYSA-N 428.470 1.262 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)ccc1OC 747580203 GAAWJBPMCVVAEK-MSOLQXFVSA-N 430.505 1.955 30 10 IDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 747869427 IODLABHDMOFQQD-UHFFFAOYSA-N 428.942 1.278 30 10 IDEE C#CCN(C(=O)Nc1ccc(OC)cc1I)[C@@H]1CCS(=O)(=O)C1 765413691 QHDHQIPWLAVGMO-LLVKDONJSA-N 448.282 1.954 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769642286 MMEPIEYSHNTFPK-UHFFFAOYSA-N 442.585 1.850 30 10 IDEE COC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 784948995 VLVLERCHPDIQRG-LLVKDONJSA-N 433.280 1.165 30 10 IDEE C=CCn1c(CCN2CCCCC2)nn(CN2CCCN(CCOC)C(=O)C2)c1=S 787247694 VNIPAYAIGPNHNE-UHFFFAOYSA-N 436.626 1.767 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C(=O)c3c(F)cccc3S2(=O)=O)CC1 799313363 XFHUFNAHZJHFSY-CQSZACIVSA-N 448.501 1.441 30 10 IDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1(S(C)(=O)=O)CC1 804543674 VSVCDWXPEMCZOI-AWEZNQCLSA-N 441.575 1.367 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cnn(C)n2)C1=O 807931634 HSJBBIAVRUNDAJ-MRXNPFEDSA-N 449.968 1.668 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCc3cccc(C(=O)O)c3C2)CC1 814850777 CTKVIEKZUCNYSE-UHFFFAOYSA-N 443.529 1.673 30 10 IDEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)Cc3ccccc3C#N)c(=O)[nH]c21 916775788 IDFVZSCIGWBBQG-BQYQJAHWSA-N 425.470 1.837 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1136658639 DWBTXBKQPGRQCJ-GOSISDBHSA-N 435.569 1.730 30 10 IDEE C[C@H](CC(=O)N1CCC(CN=S(C)(C)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1156189309 RABYOXZDHKUMLS-CQSZACIVSA-N 440.591 1.470 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)C1 1157544578 HZNCNXJRZKQGRW-UHFFFAOYSA-N 425.532 1.230 30 10 IDEE N#CCN1CCC[C@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1160873504 QFVYYVZDJOQUFM-ZIAGYGMSSA-N 430.983 1.906 30 10 IDEE C[C@@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1167523396 BMXZDRBMNZWUKX-LSDHHAIUSA-N 433.509 1.610 30 10 IDEE N#Cc1cn(CCNS(=O)(=O)c2ccc(Cl)cc2Br)c(=O)nc1O 1192714765 AILIDMUWLXZEHF-UHFFFAOYSA-N 433.671 1.215 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 1227834637 ANTOGIMSXWJQBJ-UHFFFAOYSA-N 433.553 1.199 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286343126 UJTMVKABCCYERG-INIZCTEOSA-N 440.570 1.216 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286398256 WSOVUSBWPZAIBE-INIZCTEOSA-N 448.520 1.538 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1286425646 RXVIZHPDFSZZLU-UHFFFAOYSA-N 434.525 1.759 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1286442983 TZECYTAKHBRGTN-UHFFFAOYSA-N 446.515 1.543 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1286485345 ZJLZLLFPWHFVMJ-YKSBVNFPSA-N 439.560 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCC(=O)N(C)C)CC1 1286493621 HYKQFUWTTHPPDW-UHFFFAOYSA-N 428.581 1.845 30 10 IDEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1286705915 HKMORLHDSFGONZ-UHFFFAOYSA-N 432.912 1.390 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1 1286760581 OTCMTVPJCJJEHU-QHCPKHFHSA-N 425.533 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(NC(C)=O)CC1 1286779092 DJOPOQKSPXUNLL-UHFFFAOYSA-N 448.531 1.742 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1288715269 UDVWEWNLTMZJLC-AZUAARDMSA-N 440.548 1.922 30 10 IDEE CCOCCOC[C@@H](O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1297308931 CZEYTRDKWHGXEP-AZUAARDMSA-N 447.532 1.923 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1297776657 CVQUURIKWXYMCW-KRWDZBQOSA-N 444.561 1.761 30 10 IDEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN2CCO[C@H]1C2 1298372098 KCNMMMQJYFUTCU-ROUUACIJSA-N 434.562 1.217 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@H]2C)cc1 1300126298 DBBIWHXHVKSWLS-DKZVUGQWSA-N 427.505 1.341 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1300500494 AAFCUHSIBIKIBW-KRWDZBQOSA-N 437.591 1.687 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1 1300899295 CYOUWMQFOAIRAF-OAHLLOKOSA-N 434.566 1.699 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1300990510 FEXYLGRMAPIBQA-INIZCTEOSA-N 446.581 1.699 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301149150 XTVYNFYSBIOPPJ-ROUUACIJSA-N 443.596 1.574 30 10 IDEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301211834 NRAZDABHJASFAV-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301507034 UIRBLZCSYQXTBQ-UZUQRXQVSA-N 441.532 1.564 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1302486437 HBJPUTVLDHMSGC-HNNXBMFYSA-N 441.517 1.619 30 10 IDEE Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304824287 FHMPFWUSCNYXFM-HEWTWTGNSA-N 445.524 1.559 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1 1312725642 HHHCWMJZOSUADR-UHFFFAOYSA-N 425.510 1.739 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@H](C(=O)OC)c3cccc(Cl)c3)CC2)C1 1313291338 IWWRYSZNKPHXRG-PMACEKPBSA-N 432.952 1.979 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1314177733 AIEBDBNWEPQDLX-KSZLIROESA-N 443.504 1.621 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1315962526 FGIYXFAHDGTMTR-JOCHJYFZSA-N 426.521 1.709 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCNC(=O)OC(C)(C)C)CC1 1359033473 CZFPMKVZDVSYKN-UHFFFAOYSA-N 427.553 1.954 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359053319 JHSSHSKHABYGSH-UHFFFAOYSA-N 434.591 1.567 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359215863 KZTSDGRHPXUYJG-MLHJIOFPSA-N 439.582 1.296 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(=O)NC)CC1 1359294296 PRHYVFCXIAJOQV-UHFFFAOYSA-N 426.521 1.608 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1359474493 SKSSNTCZVBNXLR-MAUKXSAKSA-N 449.533 1.448 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2F)CCOC1 1360347975 QLBBJYZXLDLXOD-KKSFZXQISA-N 446.483 1.661 30 10 IDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccc(Br)cc1 1439796604 NGDIPQBMXZGNKP-SCLBCKFNSA-N 449.330 1.954 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC([C@H](O)c3ncc[nH]3)CC2)CC1 1459957799 ACJFKXKTIRAREW-PXNSSMCTSA-N 428.562 1.626 30 10 IDEE CCN(CC)c1ccc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c(=O)oc2c1 1462999148 PORJZYRQVBCALS-BTYIYWSLSA-N 429.498 1.650 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507633847 JRHCLWQNAMGVQX-SFHVURJKSA-N 447.536 1.881 30 10 IDEE C#CCSCCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1507758914 VOQLCCAKLMVBNE-OAQYLSRUSA-N 435.594 1.649 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCOCC2)C1 1508124115 FCDXFDPUKCOSCB-IBGZPJMESA-N 426.521 1.294 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1508161617 MOYGUGBWWZDAPL-OAHLLOKOSA-N 427.596 1.062 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1508421615 BWYCTHHGZGLKOK-RKVPGOIHSA-N 442.611 1.493 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1508785578 XPPAUXDKJDBDSC-SFHVURJKSA-N 444.561 1.602 30 10 IDEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1510217376 HADOBVCSQQNDSY-HZMVEIRTSA-N 440.570 1.068 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1516946274 FZZFUKJWHZWIKQ-KGVIQGDOSA-N 447.559 1.557 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1517158493 GUGRUKGKAKSKCX-NRFANRHFSA-N 439.545 1.967 30 10 IDEE COCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1519113708 FKRJFSQTLAJNMK-INIZCTEOSA-N 438.536 1.509 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(OC)CCOC1 1519165949 DAXOUDDEIYPSPC-JOCHJYFZSA-N 443.504 1.888 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCC1 1519280809 FYANZQWCALHJCJ-HNNXBMFYSA-N 442.520 1.842 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CCCc1ccccc1)C2 1532963665 FXYOXXYPLWUNDW-FGZHOGPDSA-N 432.524 1.915 30 10 IDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)COc1cccc(Br)c1C#N 1536538964 IATBGBAJZZSJMN-RISCZKNCSA-N 439.262 1.653 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539220223 HPNFQAQJUVZGQZ-UAGQMJEPSA-N 449.602 1.977 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cscn1 1539615510 JOXCRIGIKNVMFO-DZKIICNBSA-N 440.595 1.962 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1539626268 CBJKTDMBHWELHO-AEFFLSMTSA-N 429.525 1.938 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539743372 DUHZPTAILPDLOF-UHFFFAOYSA-N 441.580 1.621 30 10 IDEE C=CCCCn1c(C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539981339 FOIKJKLUJBRBTI-PMPSAXMXSA-N 425.555 1.679 30 10 IDEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540006212 RWIOQIGVRRXNFC-UHFFFAOYSA-N 440.523 1.901 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1540870976 AYZFYKUKGPZQFK-DOTOQJQBSA-N 447.561 1.688 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540899955 GBYKKLSQBZUBSS-GOSISDBHSA-N 429.546 1.747 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccccn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541363828 NBILCCCXRBWJCD-XUTLUUPISA-N 436.520 1.650 30 10 IDEE C[S@](=O)C1(C(=O)NCCNc2ccc(C#N)cn2)CCN(C(=O)OC(C)(C)C)CC1 1543449880 NURICNKARXTBLH-PMERELPUSA-N 435.550 1.630 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)c1 1558709468 ZSYLQLWZKQGJNB-UHFFFAOYSA-N 438.513 1.784 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1564772888 SUYXVHATTQGKHD-ILXRZTDVSA-N 441.269 1.817 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 1565635864 WLHUWCMPKGHTKI-GOSISDBHSA-N 445.585 1.689 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1 1587905513 JNONSLLASGUJOL-SFHVURJKSA-N 433.511 1.278 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)OC(C)(C)C 1588128730 QLOQUVYPCCQHRI-UHFFFAOYSA-N 440.504 1.993 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC[C@@H]2CCOC2)CC1 1588856869 DRSGTQCJWODURF-IBGZPJMESA-N 444.605 1.832 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(CC)(CC)OC)CC1 1588924111 VJHVTVVCFMOGAS-KRWDZBQOSA-N 430.553 1.400 30 10 IDEE C#CCSCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1589125185 HEOKTRMWKGZRSW-OAQYLSRUSA-N 436.578 1.682 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1589481616 BANQYVPUVNDYJO-AQNXPRMDSA-N 444.580 1.800 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1589664187 UPXOBEPYAGDCLL-INIZCTEOSA-N 427.571 1.319 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595784461 GIJCHCVNSDGUBC-QGZVFWFLSA-N 446.577 1.634 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1595871198 JITVUEPFOAEWAW-RTBURBONSA-N 447.653 1.753 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1595967605 BZZRZDSVIREIGZ-XMSQKQJNSA-N 440.573 1.989 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1610091130 GHUFFWAIZPPMFE-JKSUJKDBSA-N 449.556 1.849 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1611774489 FCMXJPDUNMWVIZ-QHCPKHFHSA-N 435.532 1.921 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1615092571 IFZXGXKHFHKTPZ-OAHLLOKOSA-N 444.492 1.178 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)CC1 1615209587 RFIDYPDLPWQPMB-OAHLLOKOSA-N 447.333 1.159 30 10 IDEE CCCc1c(NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cnn1-c1cccc(C#N)c1 1616790596 DHKZSGHLMLYYHJ-UHFFFAOYSA-N 439.501 1.779 30 10 IDEE CCOC(=O)N1[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[C@@H]1c1ccc(C)o1 1617487936 SBFXIICBMFQZBR-ROYATCLZSA-N 435.502 1.647 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 1620054261 GQOCTYIWOKEYHL-WIYYLYMNSA-N 440.548 1.779 30 10 IDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1620161665 SLEDYMHHPIZXHY-MRXNPFEDSA-N 443.595 1.135 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC(F)(F)Br)CCN1C1CC1 1620355067 GHMMDLPTSWPDFS-AAEUAGOBSA-N 431.285 1.946 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1625082357 GLEDZLSIOYBVJF-MRXNPFEDSA-N 425.413 1.876 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](OC)c2ccc(Br)s2)CC1 1627014773 DLTXMEPZVVNEIE-INIZCTEOSA-N 428.352 1.482 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC 1628003885 DGOSEOQXINRSKC-HNNXBMFYSA-N 439.534 1.990 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1628324685 OFDCVCMBCYOZDN-UHFFFAOYSA-N 432.571 1.755 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCC#CCO 1634027407 XZKLFTPNMBMLAJ-CQSZACIVSA-N 425.359 1.505 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)s1 1635257288 QIFSYJJNALHADF-AWEZNQCLSA-N 430.548 1.324 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCc4ccc(CC#N)cc4)CC3)C2=O)n(C)n1 1636451269 QHSYFIIIPKRFMB-OAQYLSRUSA-N 449.559 1.817 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)c2ccc(N3CCOCC3)nc2)s1 1638186141 CLDWQOXNTMOJOA-UHFFFAOYSA-N 436.559 1.650 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)C2=O)cc1 1639974024 UARMSJJGWIDVOA-INIZCTEOSA-N 446.294 1.907 30 10 IDEE CS(=O)(=O)CC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1641344695 SFFRQRINVADAMU-KRWDZBQOSA-N 432.502 1.046 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)CSCC#N)CC[C@H]32)CC1 1642785443 QEQZGIBQBACPIR-JKSUJKDBSA-N 437.566 1.637 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1644587450 LQVMNNMVCCIVNU-ROUUACIJSA-N 437.905 1.043 30 10 IDEE COC(=O)c1cn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1645939090 ZVVRQHJFPWEGTA-BQBZGAKWSA-N 436.259 1.694 30 10 IDEE N#Cc1cn(CCNC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(=O)nc1O 1646148741 VSRHVWQACPAEPN-LJQANCHMSA-N 436.390 1.605 30 10 IDEE C#CCN1CCN(C(=O)CN(C)[C@H](C(=O)OC)c2ccc(Br)s2)CC1 1655376193 CYRCAGMMBYHPMW-INIZCTEOSA-N 428.352 1.434 30 10 IDEE COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CCN(CCC#N)CC2)c1 1665044395 GXFZGETWCWYZAV-UHFFFAOYSA-N 434.287 1.595 30 10 IDEE C#CC1(O)CN(C(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)C1 1667099194 OKJFGSGEHAELIH-UHFFFAOYSA-N 445.479 1.949 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)C1 1671494572 ALZDSIYDFNHQGC-UAGQMJEPSA-N 434.518 1.714 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(=O)n(-c3ccccc3)n2C)c1 1671675645 BUAJPABIYJUKNG-UHFFFAOYSA-N 426.498 1.570 30 10 IDEE C#C[C@@H](CCC)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1682361936 RPAQYXCWPILDDN-HNNXBMFYSA-N 428.555 1.065 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1683730863 NUQRYBGUJLTDEG-UHFFFAOYSA-N 433.578 1.636 30 10 IDEE C#CCN(C(=O)NC[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1685053222 USMHBFWGLBIHHX-CSODHUTKSA-N 439.578 1.998 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cc(C(F)F)on3)CC2)cc1 1685807946 KMXCWVATKBMLEH-UHFFFAOYSA-N 425.417 1.700 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1cccnc1N1CCOCC1 1689828252 MPQRMXJYFRJMAX-QZTJIDSGSA-N 428.537 1.740 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(S(C)(=O)=O)cc1 1689869027 YYOXZALRITYSEK-AYBZRNKSSA-N 432.546 1.912 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690179452 ZTOXGOKJJNBWHW-IBGZPJMESA-N 440.573 1.458 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1690563672 ZYUQJYMKLADUSN-DYESRHJHSA-N 448.593 1.148 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1690677003 KOSDQBLPKFNJMM-JTSKRJEESA-N 443.552 1.035 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2cnn(C)n2)C1 1690711761 HXKSVTXTGULKSP-LJQANCHMSA-N 425.541 1.682 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C(C)(C)C1 1690715001 AQBCQYFUVKQLAA-HUUCEWRRSA-N 447.627 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1690722433 JGWUQOUOWBDEGW-QGZVFWFLSA-N 434.566 1.237 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCSC(C)(C)C1 1690729114 GVRYLICMGNWWLV-UHFFFAOYSA-N 427.596 1.333 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1692851435 CDAPWANBFXLDTC-RBZFPXEDSA-N 426.456 1.282 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCOCC1 1694352762 FWCGQVOYTMPPSN-SFHVURJKSA-N 434.541 1.511 30 10 IDEE CCc1nnc(N2CCN(C3CCC3)C[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694741709 WOIXWOPZCURIEV-MODMUFLJSA-N 427.553 1.678 30 10 IDEE CCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1696441489 JOIVEJNKQJXXGC-JOCHJYFZSA-N 442.520 1.890 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1696450841 LCZWQACMBRKKPA-IBGZPJMESA-N 426.521 1.973 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1705561601 UYWWOCKVDHPHMQ-BSDSXHPESA-N 442.557 1.767 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705569793 JUNGNJXMVLQYGU-HXUWFJFHSA-N 436.541 1.528 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1705635377 XOFYDAJZXYHCJQ-XXBNENTESA-N 430.597 1.557 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1 1705974120 GRRJAPBRYFLUFJ-VQTJNVASSA-N 435.532 1.996 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1706077179 GMVCIRISKDGHQX-HNNXBMFYSA-N 427.534 1.690 30 10 IDEE CCCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709682498 JITVIORLNNWNHV-RPBSFSNWSA-N 432.525 1.691 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1710267687 AFPUIVCMPMOGDV-ICSRJNTNSA-N 441.555 1.763 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711018445 VELCAXIOHCMXEF-LJQANCHMSA-N 440.552 1.301 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1712452970 WQDVVSJODDJADI-UHFFFAOYSA-N 448.329 1.589 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1712698340 IFTJKQGZMFKLSY-GOSISDBHSA-N 425.461 1.873 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722314602 BIFPXGCDFUZXGF-SFHVURJKSA-N 427.553 1.759 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1722332214 GKZTWBQTVSZBHX-LPHOPBHVSA-N 439.607 1.358 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722359954 XVEOMJVMAJSTTG-SFHVURJKSA-N 437.610 1.315 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O 1722399372 OASFYZAOESCRIX-UHFFFAOYSA-N 432.575 1.132 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1722418774 CCTSUVLAQMTWIP-UHFFFAOYSA-N 441.536 1.122 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1722532161 DIEVEOKDVVIZPB-INIZCTEOSA-N 430.509 1.703 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 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BPBLZAMMOBXOLW-BRWVUGGUSA-N 428.555 1.013 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1740821042 BEPRPDQFYVJHKX-LSDHHAIUSA-N 433.962 1.226 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1741005767 QOQGMXYEOPLALD-INIZCTEOSA-N 448.618 1.710 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)CCC2 1742499718 FNVPGQPDYDLUIH-BMFZPTHFSA-N 434.570 1.567 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OCC)c1 1748641067 ZDEJQGDLYVPWJV-GJZGRUSLSA-N 435.550 1.802 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC 1748664412 GIEZLLXWEIYABJ-CQSZACIVSA-N 438.579 1.131 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCCNC2=O)CC1 1748730796 UDIQCXPHSMJSEK-UHFFFAOYSA-N 429.569 1.994 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748819768 TVUKPQDTQYQQIK-RBUKOAKNSA-N 427.530 1.236 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1748929140 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KTDVPXHIPDQLRD-FQEVSTJZSA-N 438.532 1.927 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCO[C@H]3C)CC2)c1C#N 1751827169 CLEUYEMWQAXEAA-AOMKIAJQSA-N 442.568 1.356 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCO)c(OC)c1 1760119465 AEYHZRGEURTSOW-MRXNPFEDSA-N 427.505 1.286 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760155303 VDPAEZICUCUVNI-DLBZAZTESA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1760189749 WIUPKOCDUIDMBU-GUDVDZBRSA-N 435.594 1.141 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760196499 OVLNKBHTNQBZNN-XLIONFOSSA-N 439.482 1.887 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCN(CC)CC1 1760233079 QKRAQUIWINWNGY-GOSISDBHSA-N 441.580 1.739 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760429472 DMRUAGGPYRBWIO-UHFFFAOYSA-N 445.568 1.331 30 10 IDEE C=CCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760513091 JXOBCUDRIZRIGK-FOIQADDNSA-N 430.513 1.037 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760528532 FZRCUQKWYLVBMY-HTAPYJJXSA-N 433.553 1.364 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)C1 1760543092 MXMVYNYDMUFIDG-SJORKVTESA-N 435.550 1.809 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763613955 VWYOAYGQTZCSOM-NXHAUGRDSA-N 429.525 1.410 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1766874115 BWHIAZOWIWUWNM-UHFFFAOYSA-N 432.532 1.945 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1768659589 FSGXTURYUBKOPQ-WIYYLYMNSA-N 445.545 1.577 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1769368420 BKLPCCKCPGOOCN-UHFFFAOYSA-N 439.501 1.029 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1769566674 DVHPCOZBUVWUGR-UGKGYDQZSA-N 429.521 1.990 30 10 IDEE COC[C@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1770783518 ZSXYOHCPTOUNMY-CVEARBPZSA-N 436.875 1.575 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CC2)nnc1N1CCN(CC(F)F)CC1 1770832407 AXDXGZLQEVTNBZ-HNENSFHCSA-N 435.479 1.144 30 10 IDEE COCc1nocc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1770874780 ZFKDNNSUFQAGAR-ZDUSSCGKSA-N 448.281 1.947 30 10 IDEE COc1ccccc1-n1nncc1CN1CCN(CC(=O)Nc2ccccc2C#N)CC1 1851919519 ZKWUTCKVIRBIDQ-UHFFFAOYSA-N 431.500 1.904 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3c(C#N)cnn3CC(F)(F)F)cc2)CC1 1852405106 BJZRFARXBVHDRJ-UHFFFAOYSA-N 448.405 1.874 30 10 IDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)C1 1855507565 QNFRHIJEJJLFRM-KRWDZBQOSA-N 443.928 1.879 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1=O 1856802564 JNAMIDSAMDPJIT-OCCSQVGLSA-N 448.419 1.588 30 10 IDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCC3(CC2)OCCO3)cc1=O 1870558593 HHJYGFMAQRVLQP-UHFFFAOYSA-N 429.517 1.212 30 10 IDEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870962128 BHNVCRAMVWSQFP-OAHLLOKOSA-N 448.545 1.587 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(OC)cc2)cc2c(N(CCO)CCO)ncnc21 1873595629 KZBLTKFGWBSRQT-UHFFFAOYSA-N 425.489 1.347 30 10 IDEE COC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874448448 BXIUSBYJVQFDTP-VDLQQMNMSA-N 449.445 1.956 30 10 IDEE C#CCOCCOCC[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882549973 TWXZOQRPELNQQQ-ADKRDUOOSA-N 425.503 1.560 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1 1889977078 LRUJHAJPCWFXPK-UHFFFAOYSA-N 426.627 1.228 30 10 IDEE N#Cc1cncc(C2=CCN(C(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)CC2)c1 1891229487 RQEIDNPDJLBNBF-SFHVURJKSA-N 437.525 1.928 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H](C(=O)N4CCOCC4)C3)n[nH]2)c1C 1891621410 MTRJGTNKBJEIRR-LJQANCHMSA-N 442.520 1.166 30 10 IDEE C#CCO[C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)OC)cc2)C1 1892164330 IHNRGLJRCRQEDR-PKOBYXMFSA-N 449.529 1.659 30 10 IDEE N#Cc1c(Cl)nsc1N1CCNC(=O)CCN(C(=O)CC[C@@H]2CCOC2)CC1 2060409825 YTVAUZBLNXOQET-CYBMUJFWSA-N 425.942 1.640 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCn2c(CNC(=O)OC(C)(C)C)nnc2C1 2083064140 YFNFGJTYXFHYSG-UHFFFAOYSA-N 436.332 1.357 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2124540379 GUYYVFJVWQYQTG-HIFRSBDPSA-N 448.329 1.739 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404401 MGPGKIIHZLNRIH-GRYCIOLGSA-N 436.343 1.453 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)[C@H](F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248413167 SQPYHUKKHPDYMK-MNOVXSKESA-N 444.338 1.697 30 10 IDEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255700863 JKOBCAWDVQZLPC-UHFFFAOYSA-N 434.302 1.400 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255830401 FQPIPNAFFUZMAF-LLVKDONJSA-N 430.236 1.240 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255841800 IKMGAGPEOSMYJN-AWEZNQCLSA-N 432.330 1.763 30 10 IDEE COCCCN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255947877 FIMXFFAJKDAXCY-UHFFFAOYSA-N 449.382 1.947 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267142618 WQMKFGAAPIRCQL-DRZSPHRISA-N 442.247 1.381 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)nc1B1OC(C)(C)C(C)(C)O1 2267495375 ZSZMWBLUCNZKIL-SFHVURJKSA-N 440.353 1.350 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)n1 2267526157 NNZCJEVQTQWTOC-GOSISDBHSA-N 440.353 1.350 30 10 IDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267882425 SHAZXNOBTGAAKG-FOLVSLTJSA-N 444.341 1.713 30 10 IDEE Cn1c(Br)nnc1CCN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2371991163 BNYMIERLFIEUHQ-UHFFFAOYSA-N 426.099 1.487 30 10 IDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(Br)ccc21 44360678 HBIJPBWJHIEYNT-WMQDPJMESA-N 442.360 1.950 30 10 IDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4cccc(Cl)c4)[nH]3)nc2n(C)c1=O 105380877 JDTIKEPFNNITBX-CNHKJKLMSA-N 431.869 1.329 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 461295029 QIPKBWNQLVNDAX-UHFFFAOYSA-N 430.534 1.418 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cn1 461295394 QSFYAEUDYYEVPK-UHFFFAOYSA-N 444.498 1.474 30 10 IDEE CC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@]2(CCOC2)O1 483190217 CWWCEWKMTJXCSP-GIWBLDEGSA-N 430.524 1.804 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccccc2C#N)c1=O 505701496 XOWACBWZEWOZTM-UHFFFAOYSA-N 446.536 1.088 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCC#Cc4ccccc4)CC3)C2=O)n(C)n1 508050190 LGEDOHGXXTZOOD-NRFANRHFSA-N 434.544 1.603 30 10 IDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508490551 CDHMLKKWMBQRNX-UHFFFAOYSA-N 445.325 1.642 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(COC)(C(=O)OCC)CC1 508792402 DYHFTEDKWNXUSW-UHFFFAOYSA-N 428.493 1.908 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCO3)CC2)C1=O 517955784 HCWIYPBEEKBTDH-KRWDZBQOSA-N 435.488 1.516 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 521674680 OJENYGJIROGMCN-UHFFFAOYSA-N 432.480 1.605 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1Cc1ccccc1 530722254 DHDHXOPAHWIDEM-UHFFFAOYSA-N 449.532 1.533 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 533414470 BCFVLYJIKVGUFG-UHFFFAOYSA-N 447.948 1.880 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 610421384 UJYVPRVLSMMOTJ-IBGZPJMESA-N 433.509 1.863 30 10 IDEE CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1 616172407 QVCUPFVOKZDATM-KRWDZBQOSA-N 431.518 1.470 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669806376 IYOWLABIPAUYSL-WMZOPIPTSA-N 438.536 1.100 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669813171 BQYKHYFIDHOHNN-HKUYNNGSSA-N 429.569 1.079 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668501 KOJXMWCSYGPGTA-UHFFFAOYSA-N 427.489 1.352 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O 730142761 PFCMKZMKWACBRA-INIZCTEOSA-N 435.525 1.104 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730142994 QYHQLLNQSOYMDC-QGZVFWFLSA-N 431.562 1.273 30 10 IDEE COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 730970587 ISNFSJDVMVKGNJ-UHFFFAOYSA-N 437.424 1.205 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C#N)c2=O)cn1 743726319 MQWWUTASKNBXJR-UHFFFAOYSA-N 447.520 1.342 30 10 IDEE Cc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1NS(=O)(=O)C(F)(F)F 747222359 AAINPJMLKRMCGO-JQIJEIRASA-N 446.407 1.513 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)COc2ccc(C#N)cc2)cc1 747312963 DHQFYESWNMPOQK-UHFFFAOYSA-N 427.442 1.150 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(F)cc3F)c2=O)cn1 748063803 BFPPKPUQKBCRAC-UHFFFAOYSA-N 426.448 1.783 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1=O 749960863 XYVXLPYKISEDTQ-CVEARBPZSA-N 448.520 1.601 30 10 IDEE C#CCN(C(=O)Nc1cccc(C(=O)OC)c1Br)[C@H]1CCS(=O)(=O)C1 755506469 CABIPWSKEPJFRJ-NSHDSACASA-N 429.292 1.890 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 804454630 RQEVNMVVQNHMEE-QGZVFWFLSA-N 433.555 1.413 30 10 IDEE C#CCN(Cc1ccccc1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 806739865 NQSTWWLLZKJOGY-UHFFFAOYSA-N 442.321 1.756 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCc3cccnc3C#N)ccc2F)CC1 813309019 QIQRUGWUIXRYHQ-UHFFFAOYSA-N 446.460 1.302 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)c1 918635761 DCWYNWAKZNGDIO-UHFFFAOYSA-N 442.435 1.780 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(CN4CCOCC4)CC3)n[nH]2)c1C 1137770008 UYHCPQCLUGOKBD-UHFFFAOYSA-N 428.537 1.375 30 10 IDEE N#Cc1ccc(C2(C(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)CCCC2)cc1 1158181499 FTPFVWPCKFQOAV-NCYVPVAZSA-N 429.542 1.698 30 10 IDEE Cn1cc([C@@H]2C[C@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cn1 1159681112 AABRBOJEGNBTIT-NEWSRXKRSA-N 436.472 1.533 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CCO2)O1 1197552453 KFMYROMWVZWSSA-BZSNNMDCSA-N 434.562 1.309 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H](O)c2ccccc21 1198086155 YLNORXGCOWSZHB-NFQYFHPZSA-N 433.530 1.714 30 10 IDEE C#CCOc1ccc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1200402782 NHBADLGFBQCDJI-UHFFFAOYSA-N 434.440 1.681 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1)C(=O)OC 1211664327 IRFIMGAWDFGUMG-OAHLLOKOSA-N 425.459 1.940 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1286299133 SLIDYHHQXFWSTL-HUUCEWRRSA-N 442.545 1.582 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1286321781 AXZPJIJLNKNBGS-SFHVURJKSA-N 431.566 1.492 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286397469 ZQAICCCMULKSMK-MOPGFXCFSA-N 437.610 1.529 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1286520598 RCMOQMSSGSGXSI-OAQYLSRUSA-N 446.529 1.727 30 10 IDEE C=C(C)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286598814 DSDWPMJNVZASTJ-LJQANCHMSA-N 427.571 1.367 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286666290 BBUKFUMMWSFJGO-CABCVRRESA-N 439.586 1.047 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1300411302 RYNRWSZLWHKOJA-IBGZPJMESA-N 435.594 1.142 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300495044 CBTVLRSKDKFOLZ-RHQZKXFESA-N 436.578 1.612 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(C3CCOCC3)CC2)s1 1300627027 WTCCCUGIFBDBPH-UHFFFAOYSA-N 441.619 1.762 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)C(C)(C)C)CC1 1300703420 JLARSWVGSTXEJT-UHFFFAOYSA-N 429.594 1.551 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1300952586 ZGOPPQWBOPEXDK-INIZCTEOSA-N 443.570 1.022 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1301475062 LBUNAUVJDRTMNR-SFHVURJKSA-N 448.568 1.273 30 10 IDEE COCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1301481175 BKUVOIJJQAFKRX-BEFAXECRSA-N 425.530 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccn2)CC1 1301578590 FQKKBVJFYOYKPN-UHFFFAOYSA-N 442.549 1.001 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)O[C@H](C)C1 1301596659 VHTWJWZWIDURKM-OWSLCNJRSA-N 442.582 1.607 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1303453453 IDSROLDWKBTORV-UHFFFAOYSA-N 444.543 1.987 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)C1 1314260716 CKTMTSPUTFIPGB-HDRIZMEMSA-N 441.532 1.987 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1314626905 MZVSIRQSGJZWKR-QGZVFWFLSA-N 425.493 1.437 30 10 IDEE CNC(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315051422 DREUNSXHIBTLIV-MRXNPFEDSA-N 437.552 1.524 30 10 IDEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCN(C)C)c1 1315562477 GMMADNXUQVVTJK-FQEVSTJZSA-N 439.564 1.708 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1(C)C 1315713304 BITIQFDIXQBNAC-GOSISDBHSA-N 444.561 1.713 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cnccc1OC 1316205845 IPLBDBNWNMZLER-QFBILLFUSA-N 441.536 1.631 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1316507405 MUIPBGXUJYBSKL-KOFUXLBCSA-N 430.509 1.660 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1cnnn1 1358895119 CTIIEAJLYDQRDX-HXUWFJFHSA-N 448.579 1.178 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1358929764 HIEVHWOILRWGKR-KRWDZBQOSA-N 432.550 1.212 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCOC[C@H]2OC)CC1 1359045474 ITKAGMXMGQMLIC-RTBURBONSA-N 431.581 1.884 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359062800 TZDUDXLOHKUMTK-LAUBAEHRSA-N 448.593 1.241 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2OCC[C@H]2C)CC1 1359179079 LIMGDXXPWGJRFZ-KBAYOESNSA-N 439.582 1.438 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1359227904 PCDJMPCPYZXBOU-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccc(C)cc2)C1 1359311427 AKSDDEOPUIYFCV-LJQANCHMSA-N 440.548 1.936 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359332423 XDQCAPCDMDEHLA-BRWVUGGUSA-N 428.555 1.013 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1359353288 WDIBSXQBXIYHOH-HNNXBMFYSA-N 446.533 1.140 30 10 IDEE CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435488985 BOVOPTVUUNRAOK-MLGOLLRUSA-N 427.935 1.511 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC(O)C1 1440420455 APNJULMKBUOXLN-UHFFFAOYSA-N 428.533 1.868 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)CC1 1455115652 QGPFQUHYSPLWIL-UHFFFAOYSA-N 446.356 1.958 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 1456272370 DCISYLIJJOWORD-VQTJNVASSA-N 440.544 1.803 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C1CCOCC1 1461714211 QUXSESCOCYGCDN-MRXNPFEDSA-N 425.938 1.680 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)C1 1469727894 CQVZCDISEPYYGK-JIGPKXGUSA-N 427.505 1.584 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1474814509 AGTMLANNZDTVQH-UHFFFAOYSA-N 448.501 1.573 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 1475011359 JQUGFMBTEQMDJL-UHFFFAOYSA-N 430.555 1.527 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccc(Cl)cc1F 1478899969 ISVLTXONZKZVDE-MRXNPFEDSA-N 434.855 1.156 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)c1 1492547622 DWYUTOLCTXEXPB-PZJWPPBQSA-N 440.548 1.741 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1502677270 WWHZGIALFUZODA-HRAATJIYSA-N 445.524 1.048 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCS(=O)(=O)CC1 1503065534 BOVDWXRAVFYNBT-UHFFFAOYSA-N 446.533 1.174 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCSCCCO)CCN1C1CC1 1505326250 XBOPBXHZMBGWPQ-LJQANCHMSA-N 427.578 1.556 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1507514373 CSNLLEPDOKCHES-GJZGRUSLSA-N 432.550 1.096 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1507519403 ZXGCHROXHSZGLJ-KKUMJFAQSA-N 442.586 1.602 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)CN2CCOCC2)CC1 1507720936 KDJOVQYXHYYLJZ-GOSISDBHSA-N 443.983 1.717 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1507797820 FKYBXNVMTGGZKZ-AHRSYUTCSA-N 441.532 1.886 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507829523 ATMGGNZBCVVGSF-FHWLQOOXSA-N 443.596 1.432 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1515993963 LIHLLAIKABIKJF-UHFFFAOYSA-N 448.575 1.337 30 10 IDEE COc1cc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)ccc1C#N 1521722975 FWPGNZQVPWMGSV-IBGZPJMESA-N 436.516 1.562 30 10 IDEE C#Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)c1 1528521302 QMXUIQIFBXZBEQ-UHFFFAOYSA-N 444.509 1.636 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1539171163 HKITTXITLKZCNR-HSZRJFAPSA-N 435.532 1.201 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539215464 CWOBWGAMOOFEIM-JENIJYKNSA-N 442.545 1.343 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1539239067 GQUOBIPKZGQKRR-ROUUACIJSA-N 440.573 1.412 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1539265431 FZLUWPQQBSWERK-IBGZPJMESA-N 439.541 1.485 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCCCCC2)CC1 1539430016 FSDFPUWEMYXNKS-HSZRJFAPSA-N 431.581 1.771 30 10 IDEE CC1(C)SCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1542013905 OSGXWKFZKNENEM-RRFJBIMHSA-N 425.580 1.441 30 10 IDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1542817499 CSJPVPFTNLZGBX-UHFFFAOYSA-N 445.545 1.946 30 10 IDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1545342504 QVLSWAXAQOOCQJ-MLGOLLRUSA-N 446.472 1.963 30 10 IDEE CCN(CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1547422634 BSDITZKTIJVVSA-MDZRGWNJSA-N 425.603 1.749 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)n1 1556461351 XTWGOKDERZEHKN-QFIPXVFZSA-N 434.537 1.643 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1556833397 XWTAJKJUXQXPOJ-MFEFFIJZSA-N 434.492 1.871 30 10 IDEE CC(C)(CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 1557051427 DSOXACIMGBNEOV-UHFFFAOYSA-N 443.591 1.615 30 10 IDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 1558103738 SVALMFNMZXABRO-UHFFFAOYSA-N 449.573 1.012 30 10 IDEE COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1559969531 IDGWQNOAQSPDJH-QAPCUYQASA-N 428.464 1.899 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)CC1 1562727104 NYYXHMIILIVUKB-UHFFFAOYSA-N 440.432 1.291 30 10 IDEE C#CCN(CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C(=O)OC(C)(C)C 1583907329 RQWQTIGXSMWXSL-UHFFFAOYSA-N 429.521 1.107 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1587524876 RLRIHQARILQIRT-ILXRZTDVSA-N 425.482 1.527 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1587909148 DSUPDWZYNHAION-GFCCVEGCSA-N 439.925 1.431 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1588055034 RRWSDAGAKAOOGD-FUHWJXTLSA-N 435.594 1.725 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1588481905 MYTKSAXRJJJWGB-QGZVFWFLSA-N 442.520 1.892 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1588884695 KOUJKJLQHBAPRC-QZTJIDSGSA-N 442.564 1.295 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1 1589134086 DLSXIJXSIYJBRC-GBXCKJPGSA-N 441.624 1.780 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCS(=O)(=O)CC 1589482977 MUMJEQBJSMBMON-CVEARBPZSA-N 427.571 1.268 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1595156126 GMQBLDQFVOEJCY-INIZCTEOSA-N 444.561 1.765 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1595239012 CXCMXLCDVUTRSU-RTBURBONSA-N 443.573 1.899 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1595603218 ZRAHQTWEINKCSC-QGZVFWFLSA-N 444.561 1.892 30 10 IDEE COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1596250856 HXWZOGJLAGYICJ-UGSOOPFHSA-N 433.461 1.265 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1596590550 CPDSHFBBSUNHFR-UHFFFAOYSA-N 435.532 1.695 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)C2)nc1 1596979243 YCYZQKGIIIUBGH-GOSISDBHSA-N 441.513 1.365 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1F 1611977397 RGYXKXXZNJNCIY-QZTJIDSGSA-N 442.495 1.778 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@H](C)O[C@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1616182025 SDWWTZGZSWMADR-UQASEVPWSA-N 431.493 1.683 30 10 IDEE CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1616574114 BQTJDTIQAXFKHO-VXESANQCSA-N 437.566 1.240 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)C1 1626712790 AGWGGTOBQFYEAC-VITVIVDCSA-N 432.565 1.954 30 10 IDEE COC1(c2nccn2C)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1633684374 YEVZLYZNGQETCZ-UHFFFAOYSA-N 431.518 1.390 30 10 IDEE CN(C)CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1635120836 YWFIHYYCFATUIZ-JKSUJKDBSA-N 430.571 1.151 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1S(=O)(=O)NCC#N 1637346501 OWEXSGLQWHPCKL-AWEZNQCLSA-N 447.542 1.240 30 10 IDEE C#CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)C(=O)OC 1642411418 VMNUATMUQTVVTK-RTWAWAEBSA-N 440.521 1.792 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2ccc(F)cc2O1 1644269148 ZJEYJDQXGZKZCI-XIKOKIGWSA-N 447.444 1.331 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c(C)s1 1653749580 SUQZEKBADVPVLT-KRWDZBQOSA-N 427.592 1.743 30 10 IDEE C#CC1(O)CCN(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)CC1 1655172333 DOWUTMLVPNHGGN-UHFFFAOYSA-N 437.562 1.514 30 10 IDEE CCOC(=O)c1c(NC(=O)NCC(=O)N(C)CCc2ccccn2)c(C#N)cn1CC 1662775384 DXSWWHARVIUBNG-UHFFFAOYSA-N 426.477 1.774 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)n1 1669007355 LLCPHEFACXIQPV-UHFFFAOYSA-N 428.445 1.770 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1676929956 HOGBAHDQIZILRX-UHFFFAOYSA-N 449.396 1.092 30 10 IDEE C#CCSCCNC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1677865641 GMXZDMQTQPSZDM-INIZCTEOSA-N 426.583 1.948 30 10 IDEE Cc1cc(C[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(-c2ccccc2)n1 1680767160 ZILZOHOJYLVTQN-HZUJVAHNSA-N 427.530 1.692 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccnc2)c1 1689870194 FFZSNUJLJSCCSA-FQEVSTJZSA-N 443.511 1.923 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689982888 WOFWMQTXQPFWHJ-HXUWFJFHSA-N 449.540 1.534 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1689988505 QKYSADNSXDZNNU-KRWDZBQOSA-N 434.566 1.511 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1690143768 AYGINAZDWPKVER-BXWFABGCSA-N 442.564 1.399 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 1690663358 UGZDXLKDTXICIU-UHFFFAOYSA-N 448.531 1.503 30 10 IDEE CC(C)OCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1692663871 DCUGQLDSQXFKKO-GOSISDBHSA-N 427.509 1.289 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCCC3)C2)n1Cc1ccc(C#N)o1 1692864515 IKZNYCKTHDGJGH-HNNXBMFYSA-N 448.549 1.941 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CC2)cn1 1696859045 ZRCFKIKTNMEMDO-UHFFFAOYSA-N 436.520 1.276 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1COCCO1 1705481396 GBPSSVONXSAVJU-WBVHZDCISA-N 433.534 1.069 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1705545299 VQNUUOGZGTZNLP-HDICACEKSA-N 445.589 1.917 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOC2CCOCC2)CC1 1705635294 VURIKNGCBROROE-HSZRJFAPSA-N 447.580 1.271 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1705895162 WEQPTJZTVRXYLA-KRWDZBQOSA-N 439.520 1.164 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705901603 QCQUJVGIJCBJPT-UHFFFAOYSA-N 426.569 1.520 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1706956213 VSSHBAYSUAIOCM-FWWJWKNHSA-N 432.550 1.988 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1722372611 ATPZDYTZKDWWBL-ZDUSSCGKSA-N 439.463 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C1CC1 1722375267 MEMLJFKPNKZUQD-FQEVSTJZSA-N 441.557 1.693 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCN(C)C1 1722427280 MAQYCIRPGCDHLZ-QHCPKHFHSA-N 427.549 1.627 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1722485153 MGJUBLIQBQUXCN-CZUORRHYSA-N 447.355 1.085 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722491303 JWEQSMPIMAWJDI-GJYPPUQNSA-N 439.520 1.574 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722509262 WWNUFPJTTDPTKB-MLYOOKFZSA-N 430.553 1.515 30 10 IDEE C=C(C)Cn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722524213 UUGCESWKZVAMKW-QLFBSQMISA-N 425.555 1.543 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722532375 KIOIIUBOCMANTN-MOPGFXCFSA-N 431.585 1.038 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1722538417 XTACSTSSVIAJCN-SFHVURJKSA-N 426.583 1.762 30 10 IDEE C=CCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722691644 XHGUXPNEVUSQMG-HSZRJFAPSA-N 440.548 1.930 30 10 IDEE CC(F)(F)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1723895832 WAIWCNZNSLDGTN-HNNXBMFYSA-N 429.431 1.009 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1729203555 FHBWVDVCSARSFC-QAPCUYQASA-N 433.534 1.492 30 10 IDEE CN(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729341283 PMBXDTYITDTPGI-UHFFFAOYSA-N 427.553 1.980 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)CCO1 1731185979 ICKFHKIPFOFWPL-CYBMUJFWSA-N 442.373 1.657 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1740600282 KUPBLILYWHILLZ-QHCPKHFHSA-N 441.532 1.827 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740621586 NYCYARGCOXYPFR-LJQANCHMSA-N 442.589 1.843 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740624381 GBJFCDLLOMZPIK-MSOLQXFVSA-N 431.587 1.786 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1740644554 LBOSFVPUMDOLTH-IXFSTUDKSA-N 442.564 1.188 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(C(N)=O)CCOCC1 1740725387 LGJNCYWXOVKTMN-IRLDBZIGSA-N 431.537 1.204 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1740735410 OWRWZPMNXHCISZ-VQIMIIECSA-N 439.607 1.500 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1740937544 IWUSINIEDIMZTE-FQEVSTJZSA-N 442.564 1.774 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1740965160 LVMDGROPUMGBGK-QHCPKHFHSA-N 446.596 1.687 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740993841 DTVKYZPZMKQRNY-WBVHZDCISA-N 440.591 1.771 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1741801394 AGJHUVCVHPPLFL-IKGGRYGDSA-N 447.565 1.319 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1748713985 GICISJLDCMXAAC-VIQWUECVSA-N 435.594 1.867 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1748756722 SXOVYSAULHGFQS-UHFFFAOYSA-N 436.520 1.529 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2[C@@H]2C[C@@H]2C)CC1 1749015804 NYYFYBRZSHVDSU-GOEBONIOSA-N 426.546 1.816 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc3c2OCO3)CC1 1749018662 CHRRVYBYHMQSKK-UHFFFAOYSA-N 425.489 1.557 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749020071 KIKBBXDRVJOPEQ-GJZGRUSLSA-N 427.596 1.138 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1749121901 QJNIIISOBFIQBY-MOPGFXCFSA-N 444.561 1.783 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1749387065 RMUQZBSVIPHERS-KRWDZBQOSA-N 439.582 1.222 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1749414481 DTNOISWZFYGNPI-UHFFFAOYSA-N 432.550 1.488 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1749650079 IVAFVORGGMWGOS-OAHLLOKOSA-N 431.566 1.867 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1749655380 JNEBUMNBFHFAGN-CVEARBPZSA-N 446.577 1.732 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)C1 1749719609 YAIUZBFXZBKQIW-MBSDFSHPSA-N 443.548 1.714 30 10 IDEE COCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750104829 MLYXJODSRIOZIA-LJQANCHMSA-N 441.536 1.776 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1750379612 GJSPYYKGRYZBNR-OXJNMPFZSA-N 448.524 1.504 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760143509 IQDQRNFAAZZMEZ-PXNSSMCTSA-N 441.536 1.392 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1760219413 DKVHIYHVSJASSC-OAQYLSRUSA-N 447.499 1.428 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1760232547 APEMQEAEYWJNRN-CABCVRRESA-N 443.520 1.506 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)NCC2CC2)CC1 1760264931 ZHELJWUPLAGCFC-UHFFFAOYSA-N 438.532 1.147 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1760355183 ATQRBKIAXKYQEZ-OAHLLOKOSA-N 437.504 1.854 30 10 IDEE CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)COC1 1760781148 FWGWFLXFSKKLNY-AUUYWEPGSA-N 436.488 1.865 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762629766 HDIDWHSRKSYEHJ-MLSMBGFSSA-N 426.452 1.830 30 10 IDEE COc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1O 1768688238 HQTKUGJLDVKVRQ-VGOFRKELSA-N 443.504 1.810 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1769325302 HVFKOOAGYUTOEI-LJQANCHMSA-N 435.532 1.695 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OC)C[C@H]1O 1769449340 OCJHBRKNKYPRSX-RTBURBONSA-N 448.483 1.629 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@@H]1C 1769473771 FHRVFLZVUWLGIY-KSFYIVLOSA-N 439.520 1.160 30 10 IDEE COCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1769868033 ANRWTLDCQTVRKO-QFIPXVFZSA-N 441.536 1.558 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1770679708 UMFZEXFXGBJVHN-AWEZNQCLSA-N 446.558 1.913 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCOCC2)CCO1 1770746978 DRFFIMXOTZKXPE-HXUWFJFHSA-N 428.512 1.849 30 10 IDEE CC(C)(CN1CCN(c2ccc(-n3cncn3)nn2)CC1)C(=O)Nc1ccc(CC#N)cc1 1851515187 IASCWMAOIRBBCT-UHFFFAOYSA-N 445.531 1.910 30 10 IDEE COCCON=C(NS(=O)(=O)c1cccc(C)c1C(=O)OC)C1(C)CCN(C)CC1 1853553724 MTHDTLIZBYTCBF-UHFFFAOYSA-N 441.550 1.768 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc(Cl)c3C)C2)CC1=O 1856803883 VWQQNLKNLLMTLZ-ZIAGYGMSSA-N 428.894 1.531 30 10 IDEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862592829 KYNQHJFLQIAQDF-LJQANCHMSA-N 438.436 1.893 30 10 IDEE C=CCOc1cn(CCO)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870387686 OVTBQFGUDSUECP-UHFFFAOYSA-N 427.501 1.452 30 10 IDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccnc1 1874338543 UHMJHTQSUMDIOD-BRUSPLQXSA-N 429.550 1.898 30 10 IDEE CN(C)CC#C[C@H]1CCCN1C(=O)C1CN(c2nc3ccc(S(C)(=O)=O)cc3s2)C1 1890093022 GCEKFXXKTDLYSJ-INIZCTEOSA-N 446.598 1.692 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013639280 XLIHKKLNZKBXMH-HOTGVXAUSA-N 437.537 1.876 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2184061593 KMALWUOFDFAFCZ-ZNMIVQPWSA-N 440.294 1.990 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243412991 XIDFBDVRZJCBEJ-OLZOCXBDSA-N 444.384 1.991 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)n1 2255621358 LMZWTFMIFHJMFG-UHFFFAOYSA-N 435.334 1.292 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255654481 XOBCCNUEFQEFBG-UONOGXRCSA-N 434.346 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C=CCN1C(=O)OC(C)(C)C 2255701223 ODKCPXDTYFCXNC-CYBMUJFWSA-N 433.318 1.020 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H]1NC(=O)C(F)(F)F 2255833948 CDCLKLQKRASKNU-JQWIXIFHSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256621662 XRXJAZUWGRFDNX-HNNXBMFYSA-N 435.330 1.512 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256923834 PZUPMWVSXOGHDW-UHFFFAOYSA-N 445.350 1.759 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267267010 UFNBCLYGZLAEPS-JLCFBVMHSA-N 444.341 1.905 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267477891 QTVIIJLRZYFSBL-HNNXBMFYSA-N 449.357 1.729 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267478803 CLWIYHPEXYQSPM-DLBZAZTESA-N 447.341 1.481 30 10 IDEE COC1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267487335 OWBPTNLBUFQMFA-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE Cn1cc(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267518726 CXISEATZQOZABA-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267879959 NJZGLOOZNBFKKY-RTBURBONSA-N 434.349 1.980 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2269835354 QFZXFGSQXUFAFG-HNNXBMFYSA-N 449.357 1.729 30 10 IDEE CC1(C)OB(c2cnc(-n3cc(S(C)(=O)=O)cn3)c(Br)c2)OC1(C)C 2273531856 LWRBFTZCYPBWHT-UHFFFAOYSA-N 428.117 1.733 30 10 IDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NOCC(=O)O)c(Cl)c2)OC1(C)C 2284396392 CKYYKHRCBAJPBJ-UHFFFAOYSA-N 426.083 1.587 30 10 IDEE COc1ccc(C=C2Oc3cc(OCC(=O)NCC(=O)O)ccc3C2=O)c(OC)c1OC 2297475425 HPSATAHJSYKITH-UHFFFAOYSA-N 443.408 1.908 30 10 IDEE COc1cc(C=NNC(=S)NCCN2CCOCC2)cc([N+](=O)[O-])c1OC(C)C 2323044289 DMUJKJMDFCLNFN-UHFFFAOYSA-N 425.511 1.521 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 57860491 UIIYTOKUISLGGB-UHFFFAOYSA-N 438.531 1.462 30 10 IDEE CC(C)(C)OC(=O)N1CCN2/C(=N/CCCN3C(=O)COc4ccccc43)NC[C@@H]2C1 305017493 MLWADRMZXABYKH-MRXNPFEDSA-N 429.521 1.683 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 460939424 SLGSCSJRHNXCJO-KRWDZBQOSA-N 429.525 1.848 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465498935 WNBUPDYTDCYJQY-AWEZNQCLSA-N 435.531 1.041 30 10 IDEE C[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO[C@H]1C1CC1 467274372 WPNAGRIJFHDEGY-PZJWPPBQSA-N 432.546 1.779 30 10 IDEE COc1ccc(C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 481783041 SIVBTZYYPWSRIW-GJZGRUSLSA-N 431.514 1.990 30 10 IDEE Cc1ncc(S(=O)(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C#N 489425202 JXPVEZLGOZTWCA-UHFFFAOYSA-N 434.543 1.534 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 499185924 YHGSIKPSNQQQGV-CTNGQTDRSA-N 449.983 1.341 30 10 IDEE COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)cc1 514918764 UHQPXMVOOVKZAF-UHFFFAOYSA-N 434.473 1.628 30 10 IDEE CN1Cc2ccccc2[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 534559317 GYXGLBFWFPTFNR-FQEVSTJZSA-N 439.541 1.761 30 10 IDEE CCOC(=O)c1c(NC(=O)c2cc(S(C)(=O)=O)cs2)c(C#N)cn1CCOC 540735120 QUOOIFVOUUFQLT-UHFFFAOYSA-N 425.488 1.900 30 10 IDEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CC#N)CC1 568325979 FGPYBYCWJXSRNK-MRXNPFEDSA-N 433.490 1.031 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)Cc3ccccc3)CC2)cc1 570472412 LXRBZOSLLXZFGS-FQEVSTJZSA-N 427.526 1.679 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 576149421 CCRLBTIUSLICQD-ARFHVFGLSA-N 427.571 1.437 30 10 IDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)NCc1ccc(C#N)cc1F 586863450 NGDQAHWKRSVFNW-UHFFFAOYSA-N 447.488 1.645 30 10 IDEE COc1cc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2)cc(OC)c1 586864074 JMPIRDJXNHBLNS-GOSISDBHSA-N 440.475 1.721 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(F)cc3)c2=O)c1 603786757 MCXYYLSJFZVOHC-UHFFFAOYSA-N 449.507 1.708 30 10 IDEE O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCCN/C(O)=C1/N=CC=CC1=O 731861445 BLMJYJAGJXQHSX-HNENSFHCSA-N 441.513 1.370 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCOC2)cn1 733077667 HHHQSKSNCPQEQR-UZLBHIALSA-N 436.582 1.329 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 734292872 YJFYNCKYQFGABN-CYBMUJFWSA-N 433.511 1.696 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC(=O)N2C)cc1 734963034 AUMXRRLGBSPMEY-AZUAARDMSA-N 427.482 1.732 30 10 IDEE C#CCN(CC#CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 742003378 LYUUJAQGWWKTRG-UHFFFAOYSA-N 439.331 1.569 30 10 IDEE CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 752204666 XFWGDMGJYPYGDC-LSDHHAIUSA-N 442.559 1.794 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@@H]2CCCO2)cc1 764978424 ZEURJDBVRCDXHD-SFHVURJKSA-N 434.521 1.517 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 766974690 GUPLDGAUPTZEMH-UHFFFAOYSA-N 427.482 1.924 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br 767988393 FDMNUMYUJNNZRH-FXBHHXAOSA-N 447.289 1.365 30 10 IDEE CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NCCc2cccc3cccnc23)cc1 768518006 XNOKYESLBMTSRV-UHFFFAOYSA-N 426.498 1.634 30 10 IDEE C#CCN(C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 774209897 IVRITAKYOAYJBF-GOSISDBHSA-N 425.595 1.632 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)[C@H]1CCS(=O)(=O)C1 774214601 XMARZOZYYPOUPI-CABCVRRESA-N 440.363 1.860 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 778046345 HTEZNCQGUWSGCV-MAUKXSAKSA-N 435.546 1.973 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCC2CS(=O)(=O)C2)C1=O 786688166 JBXUUVITTRSZGF-HNNXBMFYSA-N 443.522 1.337 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)n1 788864633 VZDOYSKZINQDBH-UHFFFAOYSA-N 442.539 1.636 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)c(C)o1 794578451 CAZZHEORSKUZBA-SJLPKXTDSA-N 442.537 1.797 30 10 IDEE CCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794594015 BMFALAFNYKPKHV-INIZCTEOSA-N 436.537 1.856 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812130372 RDDLXZRBPISIEQ-AABGKKOBSA-N 444.557 1.796 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2cc(C(=O)OC)nn2)cc1 816070744 OVCYKRQSAFCHTJ-QZTJIDSGSA-N 446.485 1.317 30 10 IDEE CCO[C@H](C)c1noc(CN2CCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)n1 1116149936 BIWKOYXVVNNGQK-GFCCVEGCSA-N 432.506 1.819 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)Cn3nc(Br)c(Br)n3)C2)cc1 1138106422 NBQFTKLEUIDJMC-UHFFFAOYSA-N 441.083 1.965 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ncon2)cc1 1143958163 SUXRVCUCWBBGFU-SFHVURJKSA-N 425.470 1.975 30 10 IDEE CN1CCN(C)CC(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 1144758354 DBBCXFIWMDZSFC-LJQANCHMSA-N 434.382 1.651 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)Nc1ccccc1C#N 1161585471 BRMFVPCWBZEMQL-KRWDZBQOSA-N 449.529 1.634 30 10 IDEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179650741 IGRJMXLZYFTQJB-SUNYJGFJSA-N 429.564 1.126 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 1179745695 WWLYPMDCIKHWTK-JQFCIGGWSA-N 434.518 1.445 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1179869692 ICYFVXJRXSFBGY-FQEVSTJZSA-N 427.461 1.693 30 10 IDEE N#Cc1cc(Br)cnc1N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1186938112 IWLXKEADSBIYOQ-UHFFFAOYSA-N 436.335 1.872 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)NCCn1cnc(C#N)n1)C(F)(F)F 1228011346 TWFUDBVMRADXHW-MRXNPFEDSA-N 431.419 1.781 30 10 IDEE N#Cc1c(CCCNC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)nn(-c2ccc(F)cc2)c1N 1252335903 XHERJHQAXFOETG-INIZCTEOSA-N 441.467 1.680 30 10 IDEE C#CCOCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1266570588 PMMBZVDTKZMBGU-NVXWUHKLSA-N 428.348 1.809 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1286350215 XKGHIHLOJMYVSK-CVEARBPZSA-N 435.575 1.936 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286389526 LPBCULNZECTNBL-IRXDYDNUSA-N 431.566 1.092 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286395609 SBBWBISLCQPCRF-YRXWBPOGSA-N 438.594 1.860 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286397849 VBZCJQTXIZTYAA-IBGZPJMESA-N 445.545 1.448 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@@H]1CCOC1 1286412968 FYWVRANHVWADED-OAQYLSRUSA-N 449.559 1.721 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1286518204 QKQSATXITDNYEZ-NPFVIJTESA-N 444.557 1.881 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OC)CC1 1286646691 USMXMPOLOSTWSU-QGZVFWFLSA-N 448.549 1.219 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286652672 JBANEDVXCOJXTO-QGZVFWFLSA-N 436.582 1.198 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286699273 BBPZVZOLBPUTAJ-SFHVURJKSA-N 435.594 1.985 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286785207 BQYNNQZRGVZRLF-UHFFFAOYSA-N 444.561 1.277 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286825415 QRLJHZFBZWHKKS-CYBMUJFWSA-N 438.472 1.624 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1291324498 XTWZZNSZLBCAFO-ZWDAVXSWSA-N 427.505 1.884 30 10 IDEE COc1cc(N)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1S(C)(=O)=O 1291640210 BZOCJCOHAKDKES-UHFFFAOYSA-N 430.530 1.757 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300487437 JJQHRYDBKRNGBR-CSODHUTKSA-N 431.562 1.461 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1300699294 AWXJZBKJDUTJBA-LJQANCHMSA-N 425.533 1.797 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1300769393 GDZTZQRIVIQYAK-GHTZIAJQSA-N 430.578 1.890 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCN(C)C 1300789291 FMPAXYDQDUHXPB-JOCHJYFZSA-N 445.589 1.919 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1301968312 LDNRLYQDXUODPP-CRAIPNDOSA-N 429.546 1.897 30 10 IDEE CC(C)(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1302308940 IAJSBOYZJGPSIH-INIZCTEOSA-N 440.570 1.166 30 10 IDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1314470924 VLTLAJFIOXFFII-UHFFFAOYSA-N 428.493 1.060 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1315620998 CEVLKCWHTFKLJD-SFHVURJKSA-N 440.401 1.998 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1358949717 KWAHSORFVNAUFC-QVKFZJNVSA-N 432.525 1.134 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1358978171 FIUSVTVPXSCCGS-AWEZNQCLSA-N 432.575 1.450 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCOCC2)c1 1359022822 NWVZHKKRKCBMSD-UHFFFAOYSA-N 447.543 1.702 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(OCCOC)CCOCC1 1359062464 IXRWXDCWAIPRAD-JOCHJYFZSA-N 445.564 1.718 30 10 IDEE C=C(Br)Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359088719 RLFJLYOBJHGUMT-KSSFIOAISA-N 442.358 1.894 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359136903 YOSPJVOAPUVERT-YLJYHZDGSA-N 442.582 1.535 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359343747 ZTITXLXOVIGTIY-HRCADAONSA-N 439.607 1.156 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H](C)C#N)CC1 1359400774 WXENAFXCBLFYOH-OAHLLOKOSA-N 430.944 1.753 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(C)CC1 1360688759 QAZWBCCIWYYISX-CYBMUJFWSA-N 445.549 1.613 30 10 IDEE CN1CCC(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)CC1 1443740944 HZOMTQDTZNDGKL-IAGOWNOFSA-N 429.952 1.849 30 10 IDEE C#CCN1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 1444336144 DIAGUHFISWAEFM-FQEVSTJZSA-N 447.333 1.384 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2=O)cc1 1467706576 IMIKBHLABANOKG-WFXMLNOXSA-N 447.413 1.586 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nc(C(C)C)n[nH]3)CC2)cc1 1469724461 NVKOPAOPWOTSBV-UHFFFAOYSA-N 429.546 1.935 30 10 IDEE N#Cc1cc2c(n(CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c1=O)CCC2 1473092779 ABLAIKUWILBINW-UHFFFAOYSA-N 429.498 1.309 30 10 IDEE C#CC[C@H]1CCCN([C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1473581132 ISCNUFRJHIZHTE-IRXDYDNUSA-N 433.553 1.434 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1501217761 GGPUBESMVCKUEK-QGZVFWFLSA-N 437.504 1.066 30 10 IDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CC1 1503379624 BWVYMQPIYRMBMY-XXBNENTESA-N 437.548 1.771 30 10 IDEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1503407508 HBOHDFHRVWDCRN-UHFFFAOYSA-N 429.550 1.245 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1503439186 MNLQOPPZFAVYFB-WUKNDPDISA-N 431.541 1.453 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCC(C)C)CCO1 1503770118 CZGOLUQUEWATHC-AUSIDOKSSA-N 440.548 1.955 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1504812348 CESRYARQIOOWJK-UXHICEINSA-N 437.548 1.500 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1507616467 JSTTUHDVFOEYHZ-AWEZNQCLSA-N 433.925 1.188 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507626747 BOTJWDVBSASESK-ZBFHGGJFSA-N 432.502 1.335 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628327 NKLXYFJNRKPOPM-LPHOPBHVSA-N 426.546 1.394 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507752306 YEUSAVRNZPURTJ-RBUKOAKNSA-N 446.621 1.281 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507836591 REPMCXCDYYOTLT-HTZUNMPGSA-N 432.525 1.393 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507936291 AMCWNGCDCUSJCL-QUCCMNQESA-N 443.596 1.469 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1508143257 XTBDQLDIRPAQAI-HLIPFELVSA-N 440.566 1.157 30 10 IDEE CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1509431933 TVFQVXOUXJCEQS-DPPKGPFUSA-N 443.552 1.086 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1513407897 FTCZTSRMCAQFHU-JPYJTQIMSA-N 438.532 1.759 30 10 IDEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(C#N)c1Br 1524435879 QHLQWRGLKPUDHY-LBPRGKRZSA-N 428.308 1.086 30 10 IDEE C=CCCSCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1527933762 QTKZDLFENGCBOC-UHFFFAOYSA-N 443.566 1.718 30 10 IDEE N#CCc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1538527399 FVLJIXNWCJQTQI-UHFFFAOYSA-N 427.511 1.904 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1539017053 XJYXKNMFUIVYCI-GVDBMIGSSA-N 435.525 1.460 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539072827 WWDKXNASJLVEQG-ROUUACIJSA-N 435.594 1.725 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1539259285 CBBFANFNZLSPSV-DEOSSOPVSA-N 446.511 1.553 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CCC(=O)N1CCOCC1 1539278635 HDFFGRLVUVFBML-UHFFFAOYSA-N 435.528 1.741 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539323136 CWWFVSPOJOFEIN-ROUUACIJSA-N 439.482 1.898 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(COC)CCOCC2)CC1 1539482811 XBZZVKLNJRGTTM-LJQANCHMSA-N 445.564 1.191 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1539631514 LQBOUXXLKONKFJ-LNLFQRSKSA-N 446.577 1.630 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1539722785 RRTCKPGZSZKWFA-INIZCTEOSA-N 427.509 1.481 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539804725 ZLCKAPKVVPYCTC-QKPAOTATSA-N 445.973 1.225 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1540037127 BSUQEGODYNMRQP-QZTJIDSGSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1540870241 IAUUJXGCLPSRBH-IAGOWNOFSA-N 432.569 1.605 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1 1540874281 APGWGVPQCNUHIG-UHFFFAOYSA-N 426.521 1.393 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@@H](CC)C1 1540898100 ZKILNCWQONYRHH-HNNXBMFYSA-N 427.596 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540899695 XVYSKWCEDZHFFI-JOCHJYFZSA-N 443.573 1.967 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS(=O)CC1 1540903342 BUIYKYXTSLSLKJ-UHFFFAOYSA-N 447.586 1.520 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1541117509 HPEAUIOQZAOPMI-OAHLLOKOSA-N 435.525 1.544 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1541803072 BWZSLRXTSUHPNA-IKGGRYGDSA-N 425.555 1.362 30 10 IDEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cnn1C 1542093932 CCFSYLRJHXPRIW-UHFFFAOYSA-N 435.492 1.042 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1548004541 ALDHNBHRXVFRSU-JKSBSHDWSA-N 443.504 1.524 30 10 IDEE COCCOCc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1555708609 DSOYDTYCABPRDF-MOPGFXCFSA-N 440.504 1.169 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cn2)c1 1555793910 CSPOBPMUYNFYJD-KRWDZBQOSA-N 442.476 1.660 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1555794157 JILKQYWRJPHGFU-HZPDHXFCSA-N 432.506 1.146 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCS(C)(=O)=O 1557109047 PDFMWBZQRJSSOS-HNNXBMFYSA-N 429.564 1.225 30 10 IDEE CN1C[C@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1557243596 VOIPUCVHUOZRIO-RBUKOAKNSA-N 441.532 1.673 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1 1559315331 QWVNZKWWGLICIE-JOCHJYFZSA-N 434.408 1.512 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1561743819 QDGFQGBMTWDRMY-NEWSRXKRSA-N 426.535 1.875 30 10 IDEE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCCN(O)C1=O 1569676171 OIXACIVHBHIZDT-STQMWFEESA-N 429.260 1.695 30 10 IDEE C#C[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C)c1ccc(Br)cc1 1584708925 XOKVYOCPADIDDG-LZQZEXGQSA-N 445.317 1.962 30 10 IDEE CCN1C(=O)c2ccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2S1(=O)=O 1585444351 ALKVGGPDENCBJY-GOSISDBHSA-N 425.466 1.936 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(S(=O)(=O)NC)c2C)s1 1587991214 YMNHGBVYUYFVGO-UHFFFAOYSA-N 443.572 1.610 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)nc1 1588638697 WBPAOGMXBVSKGQ-FQEVSTJZSA-N 440.548 1.886 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[S@@](=O)CC)CC1 1588790818 DIRUZQNCDTXUCR-HKBQPEDESA-N 445.589 1.876 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2)CC1 1588811382 IAUHWFKZHOLIPE-IBGZPJMESA-N 443.573 1.187 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1593806408 AJSIKIHPTSMDFG-MRXNPFEDSA-N 431.928 1.836 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1N1CCOCC1 1594838957 AIIXEPIINKTEHJ-UHFFFAOYSA-N 434.504 1.828 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1594962857 NQJBFCRIGCSCSV-IBGZPJMESA-N 447.561 1.354 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1595507180 YUJNAXPDEOMVDE-UHFFFAOYSA-N 442.564 1.803 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595603077 XEQNLGVYEZTJJF-GCJKJVERSA-N 445.520 1.792 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2cccn2)CC1 1595797170 FFHHZUSORMDGSJ-GOSISDBHSA-N 434.566 1.496 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)CCO1 1596673552 FBWMYFRUISBNLE-MRXNPFEDSA-N 438.410 1.632 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1612962462 BMOSDORNJQMJOX-MVZUJROASA-N 439.545 1.732 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1613788692 UMUZANJZTJPMRW-SFHVURJKSA-N 433.534 1.297 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(C#N)ccn1 1616933671 SPQADKQXUGCRIY-GXTWGEPZSA-N 426.395 1.947 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1620086804 AFCFHNZVHVLMLE-SXWKCWPCSA-N 440.548 1.577 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)C1 1620346662 FOAKPTIXGJXFKY-HRAATJIYSA-N 441.467 1.197 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CC(=O)NCC(F)F)c1 1620348745 FJDNUIQUURDVFR-KBPBESRZSA-N 432.387 1.312 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC(CCCO)CC1 1620384871 HUSVZCKJAOOHHE-VZCXRCSSSA-N 439.520 1.789 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCN(c3ccc(F)cc3C#N)CC2)CCC1 1620508694 YUDQEQUDXZRMDP-LJQANCHMSA-N 438.569 1.821 30 10 IDEE CC[C@H](O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)nn1 1626285484 LOQHZYIWPUCVOD-JJXNMMKVSA-N 448.549 1.894 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)C2)c1 1634259835 IUKXLABYKWHZHU-DFQSSKMNSA-N 444.557 1.291 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1635733387 LICAXWHLNQWAFL-UHFFFAOYSA-N 434.606 1.955 30 10 IDEE Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1637383216 VNKCWCKJRUHKRS-SFHVURJKSA-N 431.518 1.164 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3c[nH]nc3-c3cccc(OC(F)F)c3)C2)c(=O)nc1O 1637514430 UDMOAXQXEGIQFG-UHFFFAOYSA-N 428.355 1.509 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)OCC)c1 1638030089 FTOIXHBWDROTJU-SFHVURJKSA-N 445.493 1.799 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc2c(c1)OCCCO2 1645637303 JAMXPOGHOAIUNH-OAHLLOKOSA-N 429.498 1.745 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccn(C)n1 1649539853 RVZHXJIRDYKSGB-HNNXBMFYSA-N 440.577 1.981 30 10 IDEE C[C@]1(C#N)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1659525190 VICMTIOJFDCUCZ-GOSISDBHSA-N 426.926 1.535 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)CC1 1661870597 ZISBLCGIFZNXQN-UHFFFAOYSA-N 436.354 1.978 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)n1 1672542511 NSQPUEQNPDUQMV-KBPBESRZSA-N 427.431 1.515 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689873254 CBRXIDQIOWOTQI-UHFFFAOYSA-N 442.564 1.393 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1689966310 OWWHGNJLNSYHLV-ZIAGYGMSSA-N 429.493 1.116 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1689992474 LENZSOMPMHFBEV-FQEVSTJZSA-N 443.573 1.330 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccsc1 1690008604 LXDURXMRVLRTDO-JOCHJYFZSA-N 444.524 1.963 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690018067 SQZNFVVTOQJMAT-IRXDYDNUSA-N 425.455 1.508 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690661994 NWBKGUQWECWFKX-FQEVSTJZSA-N 449.964 1.916 30 10 IDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H]1C 1690674701 BQGQQFMVFILJKN-FQEVSTJZSA-N 437.592 1.934 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1690677347 VEWUODCBZDBAIN-HSZRJFAPSA-N 446.596 1.687 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)c(OC)c1 1697381281 KHOHEOBVXPZUCM-ZWKOTPCHSA-N 443.504 1.887 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1698171174 OWQRBIPMGBZMNP-RHSMWYFYSA-N 432.456 1.509 30 10 IDEE COCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1698221703 KOZXRMSNXYIPAQ-ZDUSSCGKSA-N 425.287 1.427 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CC(OCC)C1 1705500193 INGXGPBHTKCJBE-MVBMGLOESA-N 444.580 1.128 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1705580430 JBHDVQWUTMJEEQ-JOCHJYFZSA-N 434.525 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1705647762 JZWIJBFCKAHWRH-PZJWPPBQSA-N 442.608 1.868 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705693123 BTDYUVRPVUUILZ-UFYCRDLUSA-N 446.596 1.556 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(N)=O)CCOCC2)CC1 1705784251 NGZMMFULMZRXQN-UHFFFAOYSA-N 427.553 1.824 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OCc1ccccc12 1705894495 AQALIDTZLRIIFE-UHFFFAOYSA-N 438.532 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705936709 XADCDAMCHLNRCY-CVEARBPZSA-N 426.539 1.162 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1706069353 AUPVMMZWGIEXLQ-MSOLQXFVSA-N 444.584 1.053 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1706933344 CCBHSMGHHKLLFD-QFIPXVFZSA-N 442.495 1.985 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1708728725 DZQMFQWOAVDFJE-JOCHJYFZSA-N 441.511 1.980 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1Cc1ccc(C#N)o1 1708738394 YKYYYFCSTZHFDO-AWEZNQCLSA-N 427.509 1.672 30 10 IDEE CCC[C@@H]1C[C@H]1n1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709889235 WGINLSPFWPGOAM-OGHNNQOOSA-N 445.549 1.784 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)CC1 1711419322 CICZDYGHMXZPHS-UHFFFAOYSA-N 431.566 1.144 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1712687708 HCOJVTPFQJTPBY-IBGZPJMESA-N 447.561 1.619 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722308341 KYSVSCCAYXBCGY-RDJZCZTQSA-N 433.582 1.939 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](N1CCOCC1)C(F)(F)F 1722341262 BPPOJVQEFMTUIZ-HNNXBMFYSA-N 430.475 1.529 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1722353529 PUHMWKOBHWCQBA-UHFFFAOYSA-N 428.518 1.179 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722410915 SVJAPHIKNNFDHW-NHCUHLMSSA-N 436.560 1.694 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1722413955 TYZOCYJYLRNDRL-BZSNNMDCSA-N 439.582 1.132 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCO[C@H]2CCOC2)CC1 1722433432 VDFOOYRFFDOGDE-NZQKXSOJSA-N 447.580 1.270 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1722624986 IXGDXPWDMUWJDW-MRXNPFEDSA-N 437.508 1.180 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1722655722 JIWSXKXBVILVGV-AEFFLSMTSA-N 435.550 1.496 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1722691816 AGJCFIZMDZTHBG-SFHVURJKSA-N 440.552 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](COC)C1 1722724896 ISSCFLYOCBNXRV-INIZCTEOSA-N 427.571 1.270 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722728664 ADSIJXKIZWUBOI-LJQANCHMSA-N 433.578 1.297 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1F 1722862940 FZVISWHKYIIDKC-CHWSQXEVSA-N 425.490 1.097 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1740622202 WAJPUUAUQLDLIT-KRWDZBQOSA-N 429.546 1.926 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CCCO 1740664521 TXNMPJHNMVMPSR-LJQANCHMSA-N 445.589 1.655 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1740671266 CHWONQQFEYHCQF-OAHLLOKOSA-N 433.509 1.209 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(NC(C)=O)nc2)CC1 1740707818 REXNJFMMADHROD-UHFFFAOYSA-N 439.520 1.182 30 10 IDEE C#CCSCCn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740711698 RYCXQPWWGTXEMF-HZPDHXFCSA-N 437.566 1.703 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1740730126 SCTYWWBCQKLLDQ-OAQYLSRUSA-N 443.577 1.709 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1740732807 QNXVCVDMHBTSNA-OAQYLSRUSA-N 431.562 1.761 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1740762841 WFKJBAOBIFNTJG-KSZLIROESA-N 439.582 1.438 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C2CCCCC2)CC1 1740818136 DBRIZDPKHKCRJK-MRXNPFEDSA-N 438.598 1.836 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740956736 PFHQVVCXUCGRAO-ZDUSSCGKSA-N 434.859 1.681 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(F)(F)F)C1 1740959362 SPJFSPIELUXXIO-ZDUSSCGKSA-N 442.398 1.076 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N(C)C 1741849647 GZLJCPBLCOIGKK-ZIFCJYIRSA-N 439.568 1.847 30 10 IDEE CCSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1747514887 LYRVTQBGNDWMQR-INIZCTEOSA-N 442.611 1.494 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748818855 HICKZBXFJMSWHB-FUHWJXTLSA-N 433.553 1.585 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1748953695 RVXCVDWBSPVUGG-UHFFFAOYSA-N 446.360 1.887 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1749009996 YYDWOSDGMPQTHN-UHFFFAOYSA-N 434.544 1.780 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1749649793 BBHXADAEWBONOR-KRWDZBQOSA-N 442.520 1.897 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)CCOCC1 1750031587 XHOMICYPPTYMKI-HKUYNNGSSA-N 432.569 1.995 30 10 IDEE N#CC1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)CC1 1750385110 BZCGDJJHHJHFRA-UHFFFAOYSA-N 433.509 1.764 30 10 IDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c1 1751726359 GJAFHZJOWPTDKQ-GOSISDBHSA-N 425.518 1.645 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1760151024 RRMOUIGYPGTNKR-SFHVURJKSA-N 446.577 1.630 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760190723 XXXNTWAQTCYBOE-KKSFZXQISA-N 431.562 1.841 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCOCC1 1760226259 PZLWNMKBFFOLMA-UHFFFAOYSA-N 446.577 1.548 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSC(F)(F)F)CC1 1760268068 BLPOAFLHVTYYJH-ZDUSSCGKSA-N 444.483 1.448 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCC[C@H](C)C2)CC1 1760268612 MNTMELACHPIBMA-SFHVURJKSA-N 436.564 1.433 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1760400328 XDJFJKIMDTYNOV-UHFFFAOYSA-N 433.516 1.939 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H](C)C1 1760555020 UQMIVBGESUZOKW-HRCADAONSA-N 430.596 1.263 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760555743 MCVUPFAYQOLFQZ-DLBZAZTESA-N 447.565 1.176 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1761269935 GLTSXUKMDPXGEQ-IYBDPMFKSA-N 432.550 1.758 30 10 IDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)no1 1761686851 DWVBGNQJUIHMCP-UHFFFAOYSA-N 441.517 1.633 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768788611 ZAUMUMCPSKYOFU-UFVMTTLYSA-N 437.504 1.872 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1769199637 GWJWMLHPVFQHEW-IBGZPJMESA-N 438.532 1.711 30 10 IDEE COC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)OC 1769235960 RYFLDGLXEGIDRH-UONOGXRCSA-N 439.314 1.436 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2)CCO1 1769241436 BOWFTQLUSCCYDG-FQEVSTJZSA-N 437.548 1.644 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1769322186 AMAFBKKBLOCFON-UHFFFAOYSA-N 435.532 1.934 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC1CCOCC1 1769368386 AGIDIUSEUDXETK-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(N)=O)cc1 1769993807 CUFIDQZDLOUDHQ-JLTOFOAXSA-N 431.472 1.983 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1770749417 XPSRVYHQCXPNGW-ITZAQCPESA-N 437.435 1.339 30 10 IDEE Cc1ccc(N(C(=O)[C@@H]2COCCO2)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1850598763 ULLUIWYXXPHTHN-KRWDZBQOSA-N 432.502 1.749 30 10 IDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)COc4cccnc4)C(=O)C3)C2)s1 1856347081 LUFDMVQTJRNZPW-INIZCTEOSA-N 425.514 1.339 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C3CC3)CC2=O)[C@H]1c1ccc(C#N)cc1 1856674243 IQJWYBVPXWGGAO-NHCUHLMSSA-N 426.542 1.785 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862132389 XOPQHEUKQMUBSQ-KRWDZBQOSA-N 445.516 1.634 30 10 IDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc3c(c2)OCCO3)c1 1862561804 UNPKALIJULIOJT-FQEVSTJZSA-N 437.452 1.754 30 10 IDEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1870106577 ANEXYUURHZCBEO-LBPRGKRZSA-N 445.395 1.729 30 10 IDEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870476338 MRXMEIBFTHINFW-UHFFFAOYSA-N 442.516 1.320 30 10 IDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(C(=O)O)cc1 1874295048 HIXJBWMVPXWDMV-UFFVCSGVSA-N 440.441 1.935 30 10 IDEE CC#CCN(CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1900620326 JJAIEILUEPHAEI-CVEARBPZSA-N 425.526 1.733 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 1902436980 XJXDQOUWLQQHDS-MOPGFXCFSA-N 436.574 1.953 30 10 IDEE N#CC1CN(S(=O)(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 1954219043 ISFJIULAKSSXCF-UHFFFAOYSA-N 426.498 1.815 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060635367 LEKJLZRRQGPJJF-YJNKXOJESA-N 440.321 1.857 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065457423 WKSVPURVYBVJRK-YOEHRIQHSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085662340 XGYXWKJUQJEPBA-LSDHHAIUSA-N 433.314 1.690 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCC(=NO)C1 2108229264 SMZNNQXQZQFTRQ-ORAYPTAESA-N 425.482 1.951 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124543055 MLJBPGONJRJXGY-UHFFFAOYSA-N 448.369 1.874 30 10 IDEE C#CCN(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2248399193 ZYMTZXWNFDUPPY-UHFFFAOYSA-N 435.355 1.929 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255606986 YNXOUEDCVNTNAO-ZDUSSCGKSA-N 438.334 1.009 30 10 IDEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255631746 DGUSSIJYVBDSRV-PWSUYJOCSA-N 430.236 1.238 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C 2255830533 HOYVTTZXAGIBQE-CYBMUJFWSA-N 436.362 1.918 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256625235 UEYXJDMQTPIAIQ-CQSZACIVSA-N 436.318 1.562 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267131964 JQPDSHWJDYQOIN-RCDICMHDSA-N 446.357 1.941 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CCCNC(=O)OC(C)(C)C)C2)n1 2267197315 XNCPSTIIHDODPA-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE COC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267215750 IRFIIRSHAUIBDY-UHFFFAOYSA-N 448.329 1.142 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267514304 XHTHKPPGBKMJCD-GASCZTMLSA-N 446.357 1.658 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2267547599 MKCZBBHDKMOJMO-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@H](C3OCCO3)C2)OC1(C)C 2267727924 ZSXFENDCUGXLDC-CYBMUJFWSA-N 429.369 1.572 30 10 IDEE C#CCOc1ccc(CCNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 110509028 QIQHQFNJNWIYPK-UHFFFAOYSA-N 444.289 1.263 30 10 IDEE C#CCn1c(=NC(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(S(C)(=O)=O)ccc21 254855956 KVSSANZSXJKZCN-UHFFFAOYSA-N 448.547 1.884 30 10 IDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1COC(C)=O 257477912 LUXJXSFHXOVGTA-PSJVODOWSA-N 448.512 1.973 30 10 IDEE biogenic Cn1c(=O)c2c([nH]/c(=N\N=Cc3cccnc3)n2Cc2cccc3ccccc23)n(C)c1=O 263627978 HKAGINAQSCJIKA-UHFFFAOYSA-N 439.479 1.898 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1 410243404 YFWDUDBUNSVTEX-QGZVFWFLSA-N 442.541 1.374 30 10 IDEE CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 410392245 ZBPGYXNRKHVTSJ-UHFFFAOYSA-N 449.360 1.997 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)C2=O)cc1 440009020 MTOJGFVDTZGEHB-LJQANCHMSA-N 431.452 1.151 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 441922134 HZHZGUJNFTWQNE-MRXNPFEDSA-N 447.516 1.736 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@H]1CCCO1 447266986 MXHDWMHRZVOIEP-CYBMUJFWSA-N 437.974 1.833 30 10 IDEE Cc1c(C#N)c(NC(=O)CCN2CC[C@@H](NS(C)(=O)=O)C2)n(Cc2ccco2)c1C 472251079 XDPYZCZBLNCUAL-MRXNPFEDSA-N 433.534 1.570 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 474608258 RDZOJMQOYGIDDK-KRWDZBQOSA-N 431.562 1.947 30 10 IDEE COc1cccc([C@H]2CN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CCO2)c1 486137746 NYAFQOMSWIEUBS-HXUWFJFHSA-N 425.489 1.585 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2c(F)cccc2F)CC1 500791033 FGNPZBWBGDORIW-UHFFFAOYSA-N 441.481 1.673 30 10 IDEE N#Cc1cccnc1N1CCN(C/C=C/CN2CCN(c3ncccc3C#N)CC2)CC1 506937683 RSMFBFUBYRDBAM-OWOJBTEDSA-N 428.544 1.720 30 10 IDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508847517 VLHMDSWIJRATMP-UHFFFAOYSA-N 426.565 1.858 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@H]1CCCO1 514916296 FDOLNYQOTBDXBI-QGZVFWFLSA-N 427.526 1.127 30 10 IDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)N1CCCC[C@H]1C 522611257 KBOCRBZIJHJHMO-SJORKVTESA-N 447.561 1.364 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1CC(C)C 531907742 QVZWQVCYVGIAON-UHFFFAOYSA-N 438.322 1.716 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)cc2OC)c1=O 542838384 WCXBGHOGHXILBJ-UHFFFAOYSA-N 434.315 1.116 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3cc(Cn4cc(Br)cn4)on3)CC2)n1 546173011 VIMDYEUJXHPYEP-UHFFFAOYSA-N 442.277 1.911 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccnc2N2CCC(CO)CC2)cc1 568454038 SZYNJAZMLZRDAT-UHFFFAOYSA-N 429.502 1.079 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O 588153976 FKFAJVAQZPCQIE-IVZQSRNASA-N 443.479 1.971 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCc3ccccc32)CC1 609496893 OSNDOVIFWVHNKM-UHFFFAOYSA-N 438.509 1.371 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 619510228 GWGKNYKPBGYQIW-UHFFFAOYSA-N 436.472 1.585 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)n1 682874545 DLONRVRBVNHRNW-UHFFFAOYSA-N 446.532 1.823 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732696364 FZTIZRLNRIMSIA-JTDSTZFVSA-N 447.561 1.689 30 10 IDEE COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707687 BRNIGZPRICTEOQ-OAHLLOKOSA-N 440.422 1.868 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1-c1ccccc1C#N 736582166 ITZHOTXVOORACE-UHFFFAOYSA-N 447.545 1.649 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 746128261 AXJJSMUROMPNED-MRCUWXFGSA-N 430.892 1.470 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1C#N 747498120 LNWVWDKBXWMRQC-UHFFFAOYSA-N 446.460 1.402 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-n2ccnn2)cc1 756127718 RYCFMDKHBNSZPT-HNNXBMFYSA-N 438.513 1.963 30 10 IDEE Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 756780786 UOUQOZZNIJFKQV-KRWDZBQOSA-N 428.443 1.655 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C1 756884389 NBFPZDTVLWYYAV-XIRDDKMYSA-N 428.489 1.872 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C1CCCC1 756912483 WWFKFCNOVMLVOB-UHFFFAOYSA-N 449.573 1.415 30 10 IDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760406712 SWEAOHFVGRTGTI-FQEVSTJZSA-N 438.550 1.797 30 10 IDEE CS(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 767325479 IWDMPTXLDFBVEG-UHFFFAOYSA-N 438.506 1.580 30 10 IDEE CC(=NNc1nc(O)c2cnn(C)c2n1)c1cc2c(cc1Br)NC(=O)CO2 767379880 VAKYZTQCSWFNNP-UHFFFAOYSA-N 432.238 1.998 30 10 IDEE C=CCNc1ncc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)s1 771012959 PCPZOBPFOPGWKH-UHFFFAOYSA-N 437.327 1.396 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2cccc3c2OCCO3)sc(=Cc2ccccc2)c1=O 771588245 BEHRAQUSNDZQRB-UHFFFAOYSA-N 448.500 1.713 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)[C@H]1CCS(=O)(=O)C1 776183666 VFJMFUYSBXJMKR-DZGCQCFKSA-N 443.447 1.643 30 10 IDEE NC(=NOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccco1 789628180 VGIWIRMIDYWKSU-UHFFFAOYSA-N 442.497 1.603 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(S(=O)(=O)CC3(C#N)CCC3)C2)C(=O)C1 790051325 NXGQIDIJEZGMBU-MRXNPFEDSA-N 440.566 1.554 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796710265 NRIWYGYUKPWIEV-QFBILLFUSA-N 443.529 1.793 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 800912779 XHXNHPGOSWTOAK-MRXNPFEDSA-N 426.564 1.078 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 805484664 QFSFIYCFFKWCJV-OXQOHEQNSA-N 442.582 1.166 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)ccc1OC 806803864 AVCKCVSLQYWDLZ-IAGOWNOFSA-N 438.550 1.989 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 857707638 PAYFMCARQWMCRB-HXUWFJFHSA-N 427.549 1.107 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 914679790 IZDZCAMIHURXOS-KBPBESRZSA-N 443.481 1.494 30 10 IDEE C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 918758242 DQXYTJQFIZULAF-UHFFFAOYSA-N 443.491 1.884 30 10 IDEE CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1124611327 GAUPMBGGXRJMRS-QGZVFWFLSA-N 438.550 1.939 30 10 IDEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1165604539 HGXOXGCOCZMDRX-SFHVURJKSA-N 426.542 1.501 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)CC1 1171724714 ZGGUESQPINXTBX-VXNXHJTFSA-N 439.604 1.654 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)o1 1178404841 DAULAACSBFJQGO-PBHICJAKSA-N 447.513 1.843 30 10 IDEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1188221547 BBZJCIJBZXSHGT-AAEUAGOBSA-N 435.428 1.073 30 10 IDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc(F)ccc3OC(F)F)CC2)c1C#N 1189271915 DOBFJGLQTHGJRX-UHFFFAOYSA-N 429.424 1.852 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1229422693 AQJWBMDXSPWYPO-AUSJPIAWSA-N 438.550 1.356 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN(c4cccnn4)CC3)C2=O)cc1 1269151763 UJTIKNUKXXMICT-GOSISDBHSA-N 433.472 1.338 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286393577 LNFXILYVHZGYKW-RBUKOAKNSA-N 449.621 1.673 30 10 IDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1286677704 IEASCIGTHPOSKA-QXAKKESOSA-N 444.561 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286784093 WFLKJNYFABUXRK-INIZCTEOSA-N 442.911 1.607 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1ccccc1 1286788189 RTBZJDTUSOPHQA-WMZOPIPTSA-N 431.562 1.722 30 10 IDEE CCOCc1nnc(N2CC[C@@]3(CCSC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297188859 PKYYQYWTNATXED-ZGAGMJPPSA-N 432.550 1.674 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1ccnn1 1300471456 BVTKXQUQODMHEY-UHFFFAOYSA-N 433.564 1.394 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300482275 DKQUYNPYOQEDKE-GBESFXJTSA-N 436.578 1.985 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300483509 KNSFKMVLMGSTOC-ZWKOTPCHSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1300591542 SNDVYOASYXBBOA-UHFFFAOYSA-N 432.528 1.914 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccccc3CC2)nnc1[C@@]1(OCC)CCOC1 1301520029 TVONMBBYKPWRSE-HSZRJFAPSA-N 425.533 1.838 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)C1 1301539246 PFILQRRQJSYIIS-HIFRSBDPSA-N 440.957 1.766 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)NC)C1 1301545919 NNJAAMDRTCSDCT-HNNXBMFYSA-N 435.506 1.004 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NC)CC1 1301577014 DIWVRFYUSJEJJJ-UHFFFAOYSA-N 442.545 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301585858 CNDBLDANDXMHSE-KRWDZBQOSA-N 441.561 1.592 30 10 IDEE C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1305220820 FZRQBARZPVBLFV-XLIONFOSSA-N 438.532 1.784 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1313894940 DZHBQSMHGKZYIP-OALUTQOASA-N 428.562 1.924 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1316360588 OJOZSPKYOWOYIB-UHFFFAOYSA-N 446.577 1.745 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1358915779 OYRDAYZINZMYJN-VQTJNVASSA-N 428.581 1.751 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1358949349 ZHGNVBDUFVEGSU-FQEVSTJZSA-N 427.574 1.894 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1358960013 UPEWFARWQYZLBT-SFHVURJKSA-N 425.514 1.480 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1358996597 KLTOBKWVMBBVKC-UHFFFAOYSA-N 438.557 1.752 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)n(C)c2=O)CC1 1359037366 GXPDEJBLOYNUMZ-UHFFFAOYSA-N 437.573 1.444 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCC(=O)N(C)C)CC1 1359043337 QJKMWGHAORHSJM-UHFFFAOYSA-N 425.537 1.118 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCn2cc(Cl)cn2)CC1 1359043930 ODZLCMPRYGBESO-UHFFFAOYSA-N 438.923 1.856 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359048083 DSCKKFGEXMGCPY-UHFFFAOYSA-N 432.594 1.575 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359048237 JNHAGQWCTBSEKT-QGZVFWFLSA-N 429.550 1.192 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1359092171 XVLAVTPKCUCGGX-CLWJZODNSA-N 439.582 1.486 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359221614 HWDJUXJGQORQNH-HXUWFJFHSA-N 446.596 1.655 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359475094 COYSGFANLYNONM-DOTOQJQBSA-N 434.541 1.885 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cnc(OC)c(C#N)c1 1439468765 HNBRMIKNUGGHHV-UHFFFAOYSA-N 432.458 1.244 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)[C@H]1c1nccn1C 1445852684 CPAXGTZBCKCDTC-PMACEKPBSA-N 433.472 1.287 30 10 IDEE C[C@H](CC(=O)N1CCC(NC2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1455800761 RXTUCQVCLHGPGB-OAHLLOKOSA-N 434.562 1.263 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1459463951 IQQMUGJERBZZSM-AWEZNQCLSA-N 443.978 1.543 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 1469729323 KXUGTJPRQLGSSL-SLFFLAALSA-N 443.548 1.811 30 10 IDEE C#CC1(O)CCN(C(=O)NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)CC1 1469947482 CHOMMTAKCMOVJZ-HNNXBMFYSA-N 448.486 1.640 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H]1Cc3ccc(C#N)cc3C1)CCS2(=O)=O 1471145087 QMJHKUYOSFVLPG-BKVYSMKUSA-N 431.514 1.224 30 10 IDEE C#CCN(CC(=O)N1CCN(c2cnccn2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1473798413 XFFUPPCBHMKECB-UHFFFAOYSA-N 442.564 1.460 30 10 IDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)C1CCCC1 1478899844 PABXGHAKBDBMCS-UXHICEINSA-N 449.577 1.596 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1492561767 BAMFOVXXMOKALY-OAQYLSRUSA-N 429.546 1.933 30 10 IDEE CCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1502420708 AFLDBSWWMUFMJH-QFIPXVFZSA-N 439.495 1.640 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(-c2ccccc2)c1 1504998454 JFFYAHFXRGPRCG-PXNSSMCTSA-N 437.504 1.965 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCOCCCO)CCO1 1505322162 JVJHWMAPNFMPBI-CQSZACIVSA-N 436.310 1.835 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507523830 QEVYFOVBODPKNF-HDRCJFCASA-N 425.880 1.978 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507631588 QWEDZLCVWJRDNM-GOSISDBHSA-N 429.546 1.702 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CC1 1507657673 WCCZNOHFSOJMBZ-UHFFFAOYSA-N 438.557 1.207 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1507731532 KUIGNOAXMCJJPX-OAHLLOKOSA-N 435.454 1.589 30 10 IDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507782855 AUYNNPPLFXTEJP-UHFFFAOYSA-N 446.309 1.769 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507844409 JNXRJPUFSVPQJJ-PMACEKPBSA-N 446.596 1.508 30 10 IDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCC)c1ccccc1 1507851402 NQJQXQGSAUNNSY-LJQANCHMSA-N 449.577 1.797 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1516179179 GRTXEOZEOVTYAA-VGSWGCGISA-N 430.553 1.975 30 10 IDEE COCCCN(C)CCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519049010 GWANJECTJYODRV-UHFFFAOYSA-N 427.553 1.980 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1522163106 SPSXZKSALVOWOA-MSOLQXFVSA-N 438.546 1.954 30 10 IDEE COc1ccc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCOCC1 1532954447 MMHPBJZGQPDGKX-IBGZPJMESA-N 441.509 1.485 30 10 IDEE C#CCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1539141065 RYUMQSIXLZKVFI-REWPJTCUSA-N 430.597 1.560 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539232066 ZBUIIYFZOJERMD-GBESFXJTSA-N 435.594 1.488 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCCC1 1539257318 IBXJCDVSQDCVAQ-UHFFFAOYSA-N 429.528 1.751 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1539399214 GOOKSPFIVSSPKJ-UHFFFAOYSA-N 447.561 1.207 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1541723905 KGCJFXUFPSRAJY-YADHBBJMSA-N 432.569 1.515 30 10 IDEE CCC(C#N)(CC)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1544435016 PLOFKCSEOCUTFS-UHFFFAOYSA-N 441.575 1.561 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3(C#N)CCCCC3)CS(=O)(=O)[C@H]2C1 1546233788 OLPAJDZVDBUNHX-OAGGEKHMSA-N 425.551 1.999 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1555995437 HMQXHMFFSMYFJP-KRWDZBQOSA-N 437.566 1.242 30 10 IDEE C#CCN(C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCCc2ccccc21 1558541948 FXNKMTWNNUCYEY-GOSISDBHSA-N 439.493 1.781 30 10 IDEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1558656789 AKWFFFZLKJCLMO-KUHUBIRLSA-N 443.481 1.360 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCc3cscn3)c2)CC1 1562313876 JAJUJGPVPMOKIY-UHFFFAOYSA-N 435.531 1.339 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC1 1587932692 YZBKKKYJEJUKRM-UHFFFAOYSA-N 429.546 1.283 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588054599 OHYDHWKTFGEONM-MSOLQXFVSA-N 432.550 1.352 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588074057 IAVLAGXOLAVDDC-GUDVDZBRSA-N 449.621 1.877 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1588806602 WJRQVASFTYJHQJ-KRWDZBQOSA-N 440.552 1.651 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(C)COCCO2)CC1 1588876712 GOEKPXFKIQWWRR-DNVFCKCGSA-N 431.581 1.757 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)c2ccccc2)CC1 1588876927 OGDYTTHIZZZSRQ-LJQANCHMSA-N 429.546 1.359 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1589287544 AWCCNYBALKWXIP-ZDUSSCGKSA-N 425.331 1.526 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCC2)C1 1595497008 NPSWUNBQHMQHRH-UHFFFAOYSA-N 445.545 1.410 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)C1=O 1618455961 GWYKZCLVXNFGKJ-UGSOOPFHSA-N 448.325 1.253 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1619990550 VNZFPIAACJJMQI-FXAWDEMLSA-N 438.548 1.679 30 10 IDEE C=CC1(CC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CN(C(=O)OC(C)(C)C)C1 1625599247 KQENEVJCGDPINW-UHFFFAOYSA-N 434.581 1.812 30 10 IDEE COCCN(CC#N)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1625827414 VEMNGTBEYRYZPU-UHFFFAOYSA-N 431.470 1.871 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(I)cc1-n1cnnn1 1626364510 PKVHKHYAAFEXPN-NHYWBVRUSA-N 439.257 1.978 30 10 IDEE C#CCN(CC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC(C)(C)C 1629143121 PNLZYKNLPKBEPX-IYBDPMFKSA-N 433.509 1.328 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 1634600982 GKWIUURKOVDQBU-IBGZPJMESA-N 434.537 1.907 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)CC1 1635679565 FRADBFPAUXWRAG-RDJZCZTQSA-N 429.868 1.063 30 10 IDEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)cc1 1635810463 RDQBHGVYGLEWAH-UHFFFAOYSA-N 435.889 1.046 30 10 IDEE C[C@@]1(CCCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)NC(=O)NC1=O 1639989810 MOJBDZASVXXGPG-QFIPXVFZSA-N 435.488 1.365 30 10 IDEE CC(C)(C[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1)C(N)=O 1641018140 JCSOPAVGWVAOMO-FUHWJXTLSA-N 439.516 1.903 30 10 IDEE N#Cc1cn(CCO)c(=O)n(Cc2cc(Cl)ccc2I)c1=O 1641282181 LQUGERWLIUPHSU-UHFFFAOYSA-N 431.617 1.180 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 1643888689 OMHPQOMGDJBKEZ-SFHVURJKSA-N 426.498 1.168 30 10 IDEE C#CC1(O)CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)CC1 1646157444 RGNKEWHQAUBMHE-UHFFFAOYSA-N 446.573 1.523 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1652736095 BNMFUODPKCOYPI-FQEVSTJZSA-N 439.534 1.253 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4cccc(O)c4)o3)CC2)cc1 1653740449 DYLNHASLPACWBP-UHFFFAOYSA-N 425.470 1.820 30 10 IDEE COc1ccccc1[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 1654535154 UOFBJSPMNCAZLP-FQEVSTJZSA-N 425.489 1.585 30 10 IDEE C#CC[C@@H](COC)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1686255704 SEUWGIYQGAUFOW-GJZGRUSLSA-N 436.475 1.808 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689989912 JPMOYBRXGADFNM-MRXNPFEDSA-N 435.594 1.539 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689993761 KUINXWKWODAVLT-GOSISDBHSA-N 431.562 1.706 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689994124 RKTQVGPNCMLARG-WOJBJXKFSA-N 449.621 1.214 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1690113391 IEMMYTFQQNGFDB-URXFXBBRSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC[C@@H]2COCCO2)CC1 1690133700 QKJOBNJJWCNMRA-OAQYLSRUSA-N 439.560 1.980 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690527723 RUKYDEHLPOYUML-CVEARBPZSA-N 435.525 1.286 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1690607812 UVGFOBKFSVPZEX-QGZVFWFLSA-N 448.549 1.093 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1691032477 LWSLRFAAFOAJJU-MRXNPFEDSA-N 427.465 1.744 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC(=O)N1C 1693787024 SSOMBGVZTODRQX-HNNXBMFYSA-N 433.472 1.393 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1694787955 MGLONXKLZSTBFL-OAHLLOKOSA-N 439.501 1.497 30 10 IDEE CN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1696695263 AZCCOBOQHFVMFO-XUTLUUPISA-N 430.472 1.898 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)CCO1 1698490804 ILFHAZHIOYBAKR-GHMZBOCLSA-N 437.323 1.776 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1705564154 ATTVXZJMEOANLD-KRWDZBQOSA-N 435.550 1.405 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1705565668 JJVHAQUVZNGWGP-KRWDZBQOSA-N 445.545 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1705598973 FPQGSHAXGKGWFS-UHFFFAOYSA-N 435.528 1.623 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(O)(CCC)CCC)CC1 1705647872 NXDCJISQJFKWKB-GOSISDBHSA-N 444.580 1.526 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2)C1 1705924995 IXQCQNWLFIUIDF-IRXDYDNUSA-N 433.534 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCNC(=O)CC1 1705933150 WDYMHLPHAHZIFV-UHFFFAOYSA-N 440.529 1.420 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1706748493 IXIQAHAIIMEKQV-ZDUSSCGKSA-N 434.522 1.569 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1722358855 MQYGFVKCMBNSBU-KRWDZBQOSA-N 449.602 1.933 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722366960 JXXRGTIXQHGROK-PKOBYXMFSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722368768 VWWMDTZCVXCJBC-SFHVURJKSA-N 432.546 1.541 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCC[C@H]1C 1722378296 CTAIEJIJMHDLAM-SJLPKXTDSA-N 426.546 1.736 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@@H]2C[C@H]2C)CC1 1722444346 XQJNKZLUEZYJQX-DNVCBOLYSA-N 441.557 1.895 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1722448176 OBCPAOBPRMRLSK-UHFFFAOYSA-N 436.472 1.239 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722665629 NTKZESFQZVOYHE-OAHLLOKOSA-N 430.475 1.858 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCSC1 1722697019 GXYGKOVPTFCKDQ-ZDUSSCGKSA-N 425.518 1.838 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722702309 MZFCBFYHBZCQNB-GOSISDBHSA-N 440.548 1.833 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C2CCC1(C)CC2 1722724254 RHPLVHHOCDUODW-TUBUQKNSSA-N 431.584 1.010 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1728696115 HVMORIONKDTZQP-UHFFFAOYSA-N 425.493 1.620 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOCCOC)CC1 1729729999 UEAURUDVIDLGKX-UHFFFAOYSA-N 441.536 1.721 30 10 IDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1730357190 GTIVJUGCHOZPLT-QBPKDAKJSA-N 440.570 1.022 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1740618476 IIBQQZVVSROEIF-RBUKOAKNSA-N 443.529 1.105 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740626693 YNIYMBMHIDVWLA-LJQANCHMSA-N 441.557 1.886 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(C)=O 1740645212 BNPUMOMRDJKLPP-UHFFFAOYSA-N 440.935 1.851 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1740662927 YUQPTHIJBHEWOX-SNVBAGLBSA-N 433.431 1.953 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740850093 CPEYDCQRSFHIDE-HZPDHXFCSA-N 444.623 1.796 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740962162 UXOCFOHZMSLWSO-SFHVURJKSA-N 425.537 1.309 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOC 1740986728 FYOXHBXWGNALIQ-UHFFFAOYSA-N 432.344 1.719 30 10 IDEE CC(C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741536700 UIWXDPBHEZREAS-GOSISDBHSA-N 439.520 1.827 30 10 IDEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CCOCC1 1744290580 BBDGQSASZXAYMG-IBGZPJMESA-N 438.532 1.975 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1746540398 BCBIPDYUPSOAPP-GOSISDBHSA-N 441.517 1.295 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1748831737 WFZLLYHEQFHUBL-MWTRTKDXSA-N 440.500 1.584 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748907281 QMTLEEKODNGNFQ-IRXDYDNUSA-N 430.532 1.222 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)CC1 1748971315 LMIIBSPAYCPXPF-UHFFFAOYSA-N 436.560 1.829 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2noc3c2CCCC3)CC1 1749018839 GQJQWILNPWJCCW-UHFFFAOYSA-N 426.521 1.696 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749128466 WLGPHWVRFYKCQY-XSYGEPLQSA-N 444.580 1.953 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCc1ccco1 1749471792 SMFJNFNGQSVAIE-UHFFFAOYSA-N 429.502 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749659498 FMTVPZLGCHKAKX-WBVHZDCISA-N 445.520 1.505 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(=O)NC)C1 1749659669 HNNVKHYFNDKHLV-KRWDZBQOSA-N 433.516 1.758 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC(N)=O)c2)C1 1749707010 SYJOQKBXRWBTAJ-LJQANCHMSA-N 436.516 1.977 30 10 IDEE CC(C)NC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1750992778 HYBVDWSIRGNZSF-UHFFFAOYSA-N 448.531 1.847 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)c1 1751399840 CDLDORWQTRKKLX-FGZHOGPDSA-N 428.512 1.983 30 10 IDEE C#CCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760161489 HSOPALAZKQZWFL-REWPJTCUSA-N 431.581 1.891 30 10 IDEE C#CCN(c1nnc(C)n1CC1(N2CCC(OC)CC2)CCCC1)[C@H]1CCS(=O)(=O)C1 1760181470 VWSKPYMKGUWSPD-IBGZPJMESA-N 449.621 1.637 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1NC(=O)CC1(C)C 1760244812 HYNVLIYCOALMBK-KRWDZBQOSA-N 426.477 1.854 30 10 IDEE C#CCN1CCN(c2nnc(C)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1760256474 HGOKUXKNOWYAHH-GBESFXJTSA-N 430.553 1.366 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCOC[C@@H]2C)CC1 1760269517 KMROLQJNRMCXGG-AZUAARDMSA-N 444.580 1.206 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCOC[C@H]2C)CC1 1760269519 KMROLQJNRMCXGG-QUCCMNQESA-N 444.580 1.206 30 10 IDEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760438391 GNKIPKJLADWNGV-SFHVURJKSA-N 430.553 1.757 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)C(C)C)C1 1760544564 BXBBRJWEBVFSFE-MRXNPFEDSA-N 444.536 1.949 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760552143 DEUOUUSTMPYAGP-HNNXBMFYSA-N 432.550 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760556550 HWRGAOKSJRUMSZ-AEFFLSMTSA-N 434.562 1.685 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1760708210 JIXWEHRVIMQMJK-GOSISDBHSA-N 435.532 1.790 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCOC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1762116716 KSLGIMPTMJPPMJ-SIUCFOQUSA-N 436.516 1.929 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC(C)(C)O1 1763082331 ORIQKCAUVYSQNX-MRXNPFEDSA-N 447.561 1.882 30 10 IDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)C(C)C 1764824410 UDZDQRYXPIWIPD-KRWDZBQOSA-N 425.493 1.952 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1767190299 ZVLGCTUOVSXLQV-LAGYLCCXSA-N 433.509 1.551 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1767822460 CNQCPZBHBSMUSZ-SFHVURJKSA-N 425.493 1.084 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CCO1 1770748903 SXNWKKZOEOJEJY-ZWKOTPCHSA-N 447.586 1.842 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1771490802 SPACLNMSWCNPFM-CRAIPNDOSA-N 430.534 1.323 30 10 IDEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1849448739 DLLMAHVJQJDNBJ-LBPRGKRZSA-N 431.440 1.341 30 10 IDEE Cn1ncc(C#N)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1851996859 MDVIJFGJKHZREZ-CQSZACIVSA-N 438.307 1.846 30 10 IDEE Cc1ccc(OCCN2CCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)CC2)nn1 1852422316 AWZOCOFAXGDRMU-UHFFFAOYSA-N 425.880 1.795 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(S(=O)(=O)CC(C)C)c3ccccc32)CC1=O 1854432162 QYSYWGZPYWEZKY-INIZCTEOSA-N 433.530 1.777 30 10 IDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1855104729 IDTPGNUWRIGICA-MAUKXSAKSA-N 433.505 1.743 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855750533 DVNOSCDVYBMXTJ-HZPDHXFCSA-N 433.530 1.918 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCc1cnc[nH]1 1870519728 FPRGRZKXYWHXMN-UHFFFAOYSA-N 429.521 1.130 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NCCCn2ncccc2=O)[C@@H]1c1ccc(C#N)cc1 1892053152 CDXNHXCZSNXMIK-SFTDATJTSA-N 439.541 1.715 30 10 IDEE C#CCN(CC(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1985009870 VRSVLNVLGGAEQI-UHFFFAOYSA-N 425.526 1.735 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124521000 AUTLFOPXQUHCHI-QAPCUYQASA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2131402507 GSGMKNFQENMBEG-UKRRQHHQSA-N 448.329 1.644 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255839402 VKOLKPNDQKISPX-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC(O)C1 2256679039 SQXYMLVOLKIZKR-UHFFFAOYSA-N 433.314 1.738 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)n1 2256928482 UFNYQZJRDBDZKJ-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE Cn1nc(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2259354749 GNIMKLXTNOANKO-KGLIPLIRSA-N 434.346 1.752 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267265368 FDBJBCLEPDLZJG-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267503942 LKZXFSLXFPWMOV-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)n1 2267523612 FAFAXAOAYGDHCS-MIFYACCESA-N 446.357 1.797 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@@H]21 2267591913 ABERMLCCUDPPAS-HOTGVXAUSA-N 444.341 2.000 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267598481 AOFMSYMBISDZLB-MELADBBJSA-N 447.345 1.100 30 10 IDEE Cc1nc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2268650086 NBHUVQLSFSPJLG-OAHLLOKOSA-N 448.329 1.659 30 10 IDEE CO[C@H](CCO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311185 FCJSBVDMXHDDKU-SNVBAGLBSA-N 425.765 1.376 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CN)C(F)(F)F)cc2Cl)OC1(C)C 2282826572 SAVCPBQUGHCWQB-MRVPVSSYSA-N 434.698 1.869 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1cccc(F)c1C#N)NC(=O)OCc1ccccc1 2286022654 FLGNINRCGWZAKI-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(F)c(C#N)c1)NC(=O)OCc1ccccc1 2286044548 JXNZQHKYANQLDJ-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1C 2362572920 AOOKQPWVEPVGIM-LJQANCHMSA-N 449.364 1.878 30 10 IDEE CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)ON1C(=O)CCC1=O 108860535 SOBQOJZFQOOYKN-CZUORRHYSA-N 427.498 1.674 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 253622133 FDAJXTSYUNVCBC-ZWKOTPCHSA-N 437.566 1.385 30 10 IDEE O=S(=O)(c1ccc(NC(=S)NN=Cc2cccc(O)c2O)cc1)N1CCOCC1 254371780 AVWNIRJMFBGHTG-UHFFFAOYSA-N 436.515 1.439 30 10 IDEE COC(=O)[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 428565895 JOEBTQJTLOVIDM-XCLFUZPHSA-N 433.461 1.569 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)c(C#N)c2N)cc1 429468859 JNZIRODUAOPYPB-RZQQEMMASA-N 435.532 1.876 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1F 443329383 LTCVIZOONLQAGI-WLYUNCDWSA-N 446.479 1.892 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCOc2ccc(C#N)cc2)C1 460278693 YUQNBUVMPZTONV-KRWDZBQOSA-N 432.502 1.759 30 10 IDEE C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 467834042 FQMXJWXJSBGNPK-BEFAXECRSA-N 433.468 1.838 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)nc1 474346265 AUOHKHXPMGAJCD-UHFFFAOYSA-N 441.516 1.600 30 10 IDEE CCOC(=O)CSc1cncc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 475800330 WDSSBOGSGPRVJD-UHFFFAOYSA-N 447.542 1.514 30 10 IDEE N#CC1(CS(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCCCC1 476530304 FRENMMDRSNTPBF-PMACEKPBSA-N 430.574 1.979 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 476761365 URXHZLMUWDOCGK-LHSJRXKWSA-N 447.488 1.959 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)N3CCSCC3)cc2C1=O 484259284 WWYOQMGARQFTCC-MRXNPFEDSA-N 431.539 1.559 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2c(O)cnc3c(Br)cccc23)CC1 485570350 PLNBKGHUCQKFHX-UHFFFAOYSA-N 433.306 1.763 30 10 IDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 497672753 PCPDBOCFGCHBME-UHFFFAOYSA-N 449.458 1.159 30 10 IDEE Cc1c(NC(=O)[C@H](C)SCC(=O)N[C@@H](C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 505937563 GZMXNFHZYMIMDS-YOEHRIQHSA-N 427.530 1.963 30 10 IDEE COCc1nc([C@H]2COCCN2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 508670085 KQCVIHSAVWCZTH-IAGOWNOFSA-N 440.460 1.366 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 514492425 YMHAWJPSNWMEHD-AWEZNQCLSA-N 433.480 1.396 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 517986963 VGZQMFIVVLFZDK-INIZCTEOSA-N 441.553 1.375 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 522283355 APSTXEXHQWQCAA-UHFFFAOYSA-N 444.509 1.507 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cnn(CC(F)(F)F)c2)CC1 524896705 DZJLGKNXMWQKFZ-UHFFFAOYSA-N 442.423 1.855 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 540697850 LAEKDSUCQBGAHP-UHFFFAOYSA-N 440.569 1.984 30 10 IDEE Cc1cc(C)nc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 543040370 GPFOOCKHEAMVNQ-HXUWFJFHSA-N 433.516 1.992 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670222195 JRUQCHGMIQPZIA-ZJOUEHCJSA-N 448.612 1.957 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCN1CCOCC1 726574458 GSBAYZMGGYSBMW-AWEZNQCLSA-N 446.598 1.125 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCN1C1CC1 732673604 AOUCDXXUKJJGEB-MOPGFXCFSA-N 447.561 1.026 30 10 IDEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 732899173 NIJBZXXAFBLXEZ-LJQANCHMSA-N 445.566 1.985 30 10 IDEE COc1ccccc1NC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831102 PHGILMGVBDWDKH-KRWDZBQOSA-N 436.424 1.954 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1C 733887949 CJWCTNKMEGLOTR-MRCUWXFGSA-N 446.529 1.053 30 10 IDEE COc1ccc(COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2NCCO)cc1C#N 746977364 PQOPIVNKUNYSJM-UHFFFAOYSA-N 433.486 1.578 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CCC1 771077352 JGXKJNQGOKLKQU-ZDUSSCGKSA-N 431.561 1.431 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cc[nH]n1 772303803 RBYFCINTLHWQFL-KUHUBIRLSA-N 433.534 1.954 30 10 IDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 775367776 CHSWWJCTPPMCSZ-CABCVRRESA-N 436.534 1.488 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)n1 788694830 XTBMDNZPAWHKTO-UHFFFAOYSA-N 425.894 1.794 30 10 IDEE C=CC[C@@]1(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 790581741 NGJZBVXPKBYSDX-YWZLYKJASA-N 443.566 1.094 30 10 IDEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]2(CCO[C@H](C)C2)O1 797775710 JLSCYYCHGBSSRW-PTDBIEIZSA-N 435.546 1.689 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 805843896 WHLGMSNXKVISCQ-UHFFFAOYSA-N 447.538 1.048 30 10 IDEE Cn1cc(C(C)(C)C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)cn1 809124014 PWGONPPSNNCREU-UHFFFAOYSA-N 429.271 1.976 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809802671 DUFCSBWNMNOUEZ-RZQQEMMASA-N 427.567 1.614 30 10 IDEE C#CCCS(=O)(=O)NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 810782763 UTCFOFDDZVMILM-HNNXBMFYSA-N 444.962 1.868 30 10 IDEE CN(c1ccc(OCC(=O)N[C@@H]2CCN(O)C2=O)cc1)S(=O)(=O)c1cccs1 816691468 RRIHBZLJQGJREL-CQSZACIVSA-N 425.488 1.058 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@](O)(CN(C)C)C1 819525867 TZHYFDWVCZTVEB-LAUBAEHRSA-N 436.578 1.055 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)N3CCN(C(C)=O)CC3)C(C)C)cc2C1=O 876537825 DQPUFQOOMRKYGI-LJQANCHMSA-N 441.484 1.341 30 10 IDEE COc1ccccc1CN(C)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 916420090 CEOVMSGOWWWABK-UHFFFAOYSA-N 431.470 1.047 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)cc2)c1 918568804 IPPVTZMALBVGLO-FQEVSTJZSA-N 441.509 1.850 30 10 IDEE CCC(=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccccc1 1084555601 XUIBZYMYBPBIJI-UHFFFAOYSA-N 439.505 1.466 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)C1 1116556383 NQWJEVWQYAXAJI-IBGZPJMESA-N 437.562 1.195 30 10 IDEE COC(=O)/C=C\c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1136149495 MVOXWKRCQPKTJN-UITAMQMPSA-N 429.454 1.484 30 10 IDEE C#CCCOc1ccc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 1144567144 UQLKBAPHQNAYCZ-UHFFFAOYSA-N 443.305 1.743 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2-c2ccccc2)CC1 1192975858 HQBXEQDFQWKKRO-UHFFFAOYSA-N 426.542 1.767 30 10 IDEE C#CCN(C(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1217999997 LBNGZTAEINSPES-HNNXBMFYSA-N 431.436 1.828 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CS1(=O)=O 1230717575 IQHJUSCSKNZAPE-DOTOQJQBSA-N 427.530 1.904 30 10 IDEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CCOCC1 1280098327 WWMLDIBNZKWHGB-FUHWJXTLSA-N 432.498 1.168 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C(C)=O)CC1 1286275147 PTMLVHFTCUHLOQ-AWEZNQCLSA-N 448.369 1.658 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286382393 RMYWZGXRDNSYEL-OAHLLOKOSA-N 439.607 1.329 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1286387791 IEZOGJMIKPMYHR-MRXNPFEDSA-N 448.545 1.626 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)NCc2ccco2)CC1 1286489882 DJEJUKZGCKIMRW-UHFFFAOYSA-N 438.532 1.811 30 10 IDEE Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290872257 WJFKRRGKMVMGNX-SUQMRRJOSA-N 427.431 1.186 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1cc[nH]n1 1298012305 VKCSKIJPHBLPNY-KBPBESRZSA-N 427.461 1.176 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1298096810 HOPBLZVYAFQYPA-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@H]1C 1300663621 BWSSISBZCVOSBA-FDDCHVKYSA-N 436.516 1.757 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300823691 IIHMAHCCJRDDBY-OLZOCXBDSA-N 425.331 1.287 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(C(N)=O)C1 1300876724 VAPKDHKDKLHMCB-YHEJKZAPSA-N 432.569 1.879 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1301492207 AGPUCEOZMLNFLQ-UHFFFAOYSA-N 426.521 1.561 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1301498188 KIOATDQHTXOBSJ-HNNXBMFYSA-N 444.540 1.260 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C3CC3)CC2=O)cc1 1301716319 GIJKQODBLHSUAM-KFKAGJAMSA-N 430.530 1.420 30 10 IDEE Cc1cccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1304002317 PVMJKLNRVZHTBX-JXFKEZNVSA-N 430.555 1.978 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CCO2 1304827084 OFHYAJIXSSYORY-CDHQVMDDSA-N 437.518 1.044 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1)[C@H]1CCCO1 1312541172 AQPAKLHDEMOTCL-FGTMMUONSA-N 432.525 1.830 30 10 IDEE CN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1314688445 UDWGFEPWNJXBMQ-NHWLHPCLSA-N 432.550 1.640 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316001046 MJGMROYCQKETLA-SFEXGQDGSA-N 444.536 1.561 30 10 IDEE COCCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)CCOCC1 1316223787 RGHTYKHBOMWHRT-UHFFFAOYSA-N 434.541 1.368 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1316284893 FKBCFAAARWQKTK-FVCZOJIISA-N 438.573 1.881 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1316360757 SWCMYSQPPQOISF-GOSISDBHSA-N 448.549 1.798 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1358945967 BRMWJAZDFXBXJV-HNNXBMFYSA-N 440.529 1.086 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1358948788 LFZWGBQMKKUSIN-ICSRJNTNSA-N 443.573 1.801 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1358956058 ZDJAATWZMBFJFM-HNNXBMFYSA-N 437.591 1.854 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358964912 JYYAAFZOIGYJCY-CHAGWJKLSA-N 440.616 1.326 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1359024329 KULHXAASXACVBM-IAGOWNOFSA-N 445.486 1.869 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359222048 WWCYTIXGDYKKFS-MRXNPFEDSA-N 427.571 1.413 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1359308274 JHLQQJUKHWXJGB-MJGOQNOKSA-N 443.529 1.522 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1359319178 UJTHBGLGCIHNCA-SJLPKXTDSA-N 432.550 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359336064 DDYRRXOKRUWSTK-GPMSIDNRSA-N 426.539 1.115 30 10 IDEE Cn1nc2c(c1C(=O)N1CCC(C(=O)Nc3cccc(C#N)c3)CC1)CS(=O)(=O)CC2 1360377486 KUEYNLRGAFGMSN-UHFFFAOYSA-N 441.513 1.254 30 10 IDEE C[C@@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1360835701 VULYLCAHYOHQLD-CXAGYDPISA-N 437.298 1.570 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)C 1360910501 IEEBHNCWEOJPMI-IBGZPJMESA-N 448.528 1.077 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1451327185 MALNGEPWKYTBEL-LSDHHAIUSA-N 444.550 1.260 30 10 IDEE O=C(c1c[nH]nc1I)N(O)CCCN1C(=O)c2ccccc2C1=O 1458001643 DZXZYGJVGGIKOW-UHFFFAOYSA-N 440.197 1.532 30 10 IDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)C2CCN(C(=O)C(F)(F)F)CC2)C1=O 1458738919 YSONOWZWELCJLE-LJQANCHMSA-N 436.390 1.695 30 10 IDEE COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NCC(=O)NCC#N)c1 1478602328 IWKXWINTROHMGC-KRWDZBQOSA-N 431.493 1.638 30 10 IDEE C#CCN(C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1478932378 ZOKCIAITVFNAFE-HOTGVXAUSA-N 427.567 1.996 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)cc1 1479282212 OWGCMKYQMDLYCO-UHFFFAOYSA-N 433.512 1.880 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1507625883 BXWZDFGZJHOOBZ-ZGGTZUKQSA-N 448.545 1.403 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507634247 XYZOGYRIAPVKOO-VAMGGRTRSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1507634895 QVIMEMXFQUVGHJ-MOPGFXCFSA-N 441.557 1.083 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCCC)CC1 1507884707 KYXMAPCGJIIHPW-GOSISDBHSA-N 440.614 1.499 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1508081412 YZISBYNNSZXCLR-QGZVFWFLSA-N 438.540 1.106 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1508796957 QVQCFRQAAIWUDC-HXUWFJFHSA-N 437.548 1.500 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1513766379 BDARCRANSSMDDY-OAHLLOKOSA-N 448.531 1.836 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1515794982 AHJGMAYKFBVSOD-MRXNPFEDSA-N 426.506 1.100 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1516622021 MYPSNCQUPILTAI-LVCYWYKZSA-N 445.545 1.108 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1529838315 NINARXWGFTXAGT-CABCVRRESA-N 437.518 1.925 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](n3cncn3)C(F)(F)F)C2=O)cc1 1531883511 XKJAOWCIYVLNGR-ZIAGYGMSSA-N 435.366 1.275 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1538970279 BSKUHCJWFZHMTP-HZPDHXFCSA-N 432.550 1.602 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1539002432 DCEZEEAZRXNFGL-HNNXBMFYSA-N 431.504 1.871 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)C(=O)NC)c1 1539039367 AOLHNXDTJRQHNO-UHFFFAOYSA-N 446.515 1.564 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539215467 CWOBWGAMOOFEIM-YQVWRLOYSA-N 442.545 1.343 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539219036 GMCCRNQUBRQLBG-KRWDZBQOSA-N 447.536 1.113 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1539251751 OWSCFMXQDRBVMK-QGZVFWFLSA-N 440.525 1.614 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCO1 1539409230 SROHCXUZUIAWLD-KRWDZBQOSA-N 436.516 1.940 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H]1COCCO1 1539416444 OFAXDWZCCLGUGK-YLJYHZDGSA-N 428.489 1.682 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2c(C)noc2C)CC1 1539429876 DIFWBNMHLDVNBX-HSZRJFAPSA-N 442.564 1.921 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1539630733 GULIXKRXCXHZOR-SJLPKXTDSA-N 425.599 1.930 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)CC1 1539890855 USZSMVJOPYSZIL-QGZVFWFLSA-N 427.571 1.176 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1ccnn1 1540122200 RRKGELKYKSHSLM-LJQANCHMSA-N 431.504 1.975 30 10 IDEE C=CC1(CC(=O)N(CCN2CCOCC2)CC(=O)OC)CN(C(=O)OC(C)(C)C)C1 1542902167 WYJIQRWVQDLWLO-UHFFFAOYSA-N 425.526 1.133 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 1545840180 WOBPRBKYKAOETK-AEFFLSMTSA-N 448.545 1.672 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 1546733397 YGQASQKREQEENE-WBAXXEDZSA-N 437.504 1.809 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)C1 1554531455 GDLQHOHUNVMGDV-IBGZPJMESA-N 438.532 1.927 30 10 IDEE COc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)c1 1554986797 FSQYURHZBWHSFQ-INIZCTEOSA-N 439.520 1.691 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1555494683 YHMNNAFEVNGLRK-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@]1(C)CN(C)C1=O 1555546196 ZICWDYDOKGYDQU-QHCPKHFHSA-N 446.515 1.738 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC2(O)CCOCC2)c1 1555986826 BZUAQWSFORFYPZ-UHFFFAOYSA-N 438.532 1.840 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)sc(C)c2Br)CC1 1561296378 LAPJESGGPKXDAU-UHFFFAOYSA-N 448.408 1.573 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2ccc(F)c(Br)c2)CC1 1588199777 ZWHOQCBENXJVLB-CYBMUJFWSA-N 446.342 1.379 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)COC)CC1 1588732852 HWOHHDRFLSKZRN-QGZVFWFLSA-N 444.967 1.899 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1589059387 FHMRDNRKQXJNRF-BZSNNMDCSA-N 432.594 1.143 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1589216677 VAXUXKJDLKEZSJ-YCRPNKLZSA-N 446.577 1.525 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595501361 QYSGNAUMGNZKNL-PXNSSMCTSA-N 435.532 1.276 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1595523316 SXPXYYIEBKTXHE-UHFFFAOYSA-N 441.536 1.947 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCOC1 1595545587 YXBHFBBNABPMNI-IAGOWNOFSA-N 448.568 1.920 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC23CN(C(=O)OC(C)(C)C)C3)c1 1607742856 PBBXCFJIQSIICR-UHFFFAOYSA-N 434.514 1.903 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613947059 QEPRRWYSABLTBQ-VKIUHSEFSA-N 428.415 1.523 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1614942211 QXKIFJADBOEDJY-DYTRJAOYSA-N 441.536 1.425 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCOCC1 1617909071 ZATJNJZKYKPZDD-HXUWFJFHSA-N 437.548 1.850 30 10 IDEE COCCO[C@H]1C[C@H](CO)CN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1618521403 MCEVXEHNBWOYPR-BBRMVZONSA-N 427.295 1.572 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1619626932 BTVTUIJVPURYAH-KRWDZBQOSA-N 446.483 1.008 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1620044916 JTSBOYJGPGABIV-XTQVGHSUSA-N 441.532 1.988 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CN2CCCC2=O)nnc1N1CCCCCC1 1620385348 WTXVNWUMXMXWGO-FMQUCBEESA-N 427.509 1.307 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)CC1 1624374394 VSEFZIRDWPZJGR-UHFFFAOYSA-N 438.510 1.270 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3cccc(N(C)S(C)(=O)=O)c3)CC2)o1 1627532971 LQQPJPRLKXWEGV-UHFFFAOYSA-N 431.518 1.783 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)c(C)c3)n[nH]2)c1C 1635578324 SFXJDOUEMMNPCR-UHFFFAOYSA-N 428.518 1.962 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1635753098 GXXYLBLKJOHIFI-UHFFFAOYSA-N 425.551 1.296 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)c1ccccc1 1636556561 DDPJNAYGXNJWDA-HXUWFJFHSA-N 425.510 1.932 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1638007643 FOXIRWSXCCVCRF-SFHVURJKSA-N 430.486 1.568 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 1638344779 FTBIKZMSYMESAC-GDBMZVCRSA-N 446.451 1.684 30 10 IDEE COC(=O)CN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CCN1CCOCC1 1641822333 HZBBLQMONJGMDR-INIZCTEOSA-N 448.589 1.880 30 10 IDEE COc1cccc(C(=O)c2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)c1 1648029140 YXYRHXWYODYOQR-UHFFFAOYSA-N 430.420 1.757 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@@H]2CCOC2)CC1 1648474073 YJZWVEBPOKIJMR-VLCRHTCISA-N 430.524 1.662 30 10 IDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1648849180 GRGQOHUPSVYQKW-ORAYPTAESA-N 443.481 1.057 30 10 IDEE CO[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@](C)(CO)C1 1654488232 BGJANQPLAGQWJY-DGGJZMOXSA-N 430.549 1.828 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 1655352539 BKQXHFXOJJZJHW-HNNXBMFYSA-N 433.349 1.910 30 10 IDEE C=CC[C@@H]1CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1655819107 QXTLOGBDILCYBW-GOSISDBHSA-N 448.589 1.897 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H](CO)[C@H](CCO)C1)CCCC2 1655897953 BMTKZSLQJZLQTF-SQNIBIBYSA-N 430.549 1.279 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 1658789223 ZEIMRHPWOLBMGX-UHFFFAOYSA-N 441.479 1.535 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@H]2CCO)n(C2CCCCC2)c1C 1660260349 NKARUFAIVZNGCX-GOSISDBHSA-N 436.578 1.902 30 10 IDEE CN(CCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)c1cccs1 1670753084 NVVGOIYCJXRPAG-INIZCTEOSA-N 448.574 1.921 30 10 IDEE COCCNC(=O)[C@H](CC(C)C)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1683532590 AGUDPNVPFCMFEZ-NRFANRHFSA-N 429.565 1.999 30 10 IDEE COC(=O)c1cc(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n(C)c1C 1684850860 ZGZDISZODLHLQW-UHFFFAOYSA-N 426.477 1.889 30 10 IDEE CN(C)CC#CCNC(=O)N(CCN1CCOCC1)Cc1sccc1Br 1687889167 OIRDJMHNMYRWAB-UHFFFAOYSA-N 443.411 1.919 30 10 IDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689934347 RXKIHBCFIGQAMR-UHFFFAOYSA-N 428.562 1.918 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689979821 HZOKCVWPDMBSBD-YVORESIASA-N 426.608 1.504 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1689980319 POAAJHUVOLEIGA-YESZJQIVSA-N 442.607 1.524 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689984901 XUKMCECEWFKWPT-LJQANCHMSA-N 443.573 1.613 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689990636 QTYSQINRWFICFS-DLBZAZTESA-N 447.561 1.706 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(=O)NC 1690094928 AGYSCPBBBSBKKI-UHFFFAOYSA-N 437.342 1.894 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2COCCO2)CC1 1690114969 MXGOPQFBTFWXGK-GOSISDBHSA-N 433.459 1.717 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1690607199 GVNNNCVBKBHBOA-KRWDZBQOSA-N 429.521 1.892 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690668163 VWJIHZWWHHTNKH-UHFFFAOYSA-N 439.549 1.383 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1692853597 PCEWZUHBDNLGKL-LJQANCHMSA-N 438.532 1.852 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(C)COCCO1 1694117422 KRFVDTVMPSWULQ-OPAMFIHVSA-N 442.568 1.837 30 10 IDEE CCc1nnc(N(C)CC(=O)Nc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1694627823 XIVLWSVAJGFEHE-QZQOTICOSA-N 437.504 1.750 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)C1 1695960959 WPYHKSANHTYSIY-QFBILLFUSA-N 444.561 1.761 30 10 IDEE CCOCc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696291801 VXFSPKKGSDPRGA-MKSIGINJSA-N 444.536 1.736 30 10 IDEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1696434780 UPIMJKVJHSFPTG-RTBURBONSA-N 445.545 1.666 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1705559497 BLVCVGPENWOOKW-IBGZPJMESA-N 443.573 1.767 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705560389 GMJKTOCVJVDHDD-KRWDZBQOSA-N 433.490 1.517 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705567236 UYMZNEPQKVNKGA-OALUTQOASA-N 437.610 1.528 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(C)nn(C)c2C)CC1 1705648437 SSFMCNANDLPQCH-GOSISDBHSA-N 425.537 1.146 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC(=O)N1C 1708175995 QGAMEKQABHWJML-GOSISDBHSA-N 437.548 1.596 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1710875241 PYGPKZODKZVIDV-HOTGVXAUSA-N 431.474 1.366 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1722397153 NXACAPFRZMEPNR-GOSISDBHSA-N 436.541 1.534 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722428307 DYBNYQJXQYOGIR-KRWDZBQOSA-N 449.552 1.552 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1722436576 BTGKVKXYRFQMCS-LJQANCHMSA-N 440.523 1.035 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C)C1CC1 1722650437 APURDKUNZSPYLT-QFBILLFUSA-N 427.571 1.173 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1)C1CC1 1722650794 LATNUQYZKMDEPV-RDJZCZTQSA-N 425.555 1.192 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1722677394 CTVHMZYTQQUTPE-GOSISDBHSA-N 425.541 1.720 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1722688299 ASCQWQFOHSMIIY-NVXWUHKLSA-N 444.511 1.964 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722689584 VUJCUXJBVGRBIV-LEDOBFOHSA-N 446.596 1.494 30 10 IDEE C=CCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722691049 OYRNTZZMEGFGRD-WMZHIEFXSA-N 440.548 1.465 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722691820 ULZWTOKYYPZVMW-GDBMZVCRSA-N 425.493 1.231 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC(C)C)CC1 1722696403 MCXRTSLQQJUVSZ-UHFFFAOYSA-N 430.528 1.933 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1723089063 YCTXOCKSVFDFSJ-QFIPXVFZSA-N 437.504 1.620 30 10 IDEE CC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1726800941 XICOMJVVXSNFTJ-JOCHJYFZSA-N 438.536 1.268 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)OC 1730464307 PBXFMEXCVPEEOK-NZQKXSOJSA-N 440.548 1.779 30 10 IDEE COCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1730922310 NLMKHFCQWIPWRJ-QGZVFWFLSA-N 448.911 1.253 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1731008358 NAQXXYBZYLECBH-IBGZPJMESA-N 444.561 1.183 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1731188146 BSJGPVBDQSWEPS-LJQANCHMSA-N 438.513 1.684 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740580521 AMWDHYJGHUNIIV-DYESRHJHSA-N 431.562 1.708 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccn(C)n1 1740639964 YGOMGIWIDNGZMO-UHFFFAOYSA-N 429.532 1.501 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740691213 XGGUZDHAKDOHNR-IXFSTUDKSA-N 443.523 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCO[C@H]2C)CC1 1740704786 XRGODOVZUWPFQU-MHECFPHRSA-N 437.544 1.759 30 10 IDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1740900554 RSYRXIKUKBLZEH-IDYLYPCZSA-N 436.472 1.939 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1740970384 KFKHPFFDDOTFSY-VQTJNVASSA-N 446.596 1.652 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1748892575 RNJIUPAJDZPSAZ-MOPGFXCFSA-N 434.562 1.086 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1748944670 AXJNMRPGJDVWNY-QGZVFWFLSA-N 432.521 1.874 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N2CCOCC2)CC1 1748994204 CXMAIYSHUMTBFQ-UHFFFAOYSA-N 436.560 1.067 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(C)c2)CC1 1749010602 TYKWPFCZEPAXPX-IBGZPJMESA-N 438.507 1.691 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)COCC)CC1 1749010790 XHHCTOZGWHENEP-QGZVFWFLSA-N 430.553 1.258 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1749117951 APHAVZFDQGHZNV-VBQJREDUSA-N 436.538 1.420 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749476141 YPOSTDMOEAVNHK-OAHLLOKOSA-N 435.550 1.866 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1749650002 GUBUQMRONZKKMG-KRWDZBQOSA-N 446.939 1.950 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1COCCO1 1750119346 HPIXXACYUYWFLY-ZCNNSNEGSA-N 427.505 1.926 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCCCO 1750965921 CQCWJRNERHPKAZ-UHFFFAOYSA-N 443.527 1.916 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760109802 FBCNZYFYQJIIRJ-OAHLLOKOSA-N 425.518 1.492 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1760180252 AXYCBEXGNCEWPB-AVRDEDQJSA-N 444.557 1.741 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1760252782 KGMZQLCWGSGYAU-HTAPYJJXSA-N 425.489 1.355 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760279397 BQOUJVLDWLFWLY-INIZCTEOSA-N 449.606 1.209 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760356043 DWTCGKCWTDYGMW-KBPBESRZSA-N 444.458 1.327 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1760527803 JFRPIVALGWGAGE-UHFFFAOYSA-N 430.509 1.417 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](N3CCCC3)C2)n1Cc1ccc(C#N)o1 1761493766 IWRJMACNSJRANE-JKSUJKDBSA-N 447.565 1.466 30 10 IDEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1762515333 ZAOCYUDPLVJAMX-CYBMUJFWSA-N 445.549 1.613 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1767170353 DCIZOZDICARQPW-UHFFFAOYSA-N 443.558 1.945 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1767571039 AIGOEIGKHFRFPI-WNSKOXEYSA-N 435.532 1.646 30 10 IDEE CN(C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C1CCCCC1 1768417579 FOLMLVHQXMGWSG-UHFFFAOYSA-N 435.532 1.934 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1769066586 WJHFWAXBNXRSME-SFHVURJKSA-N 425.537 1.831 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCOC(F)F)cc1 1771534103 NACXCYBNAHILNB-UHFFFAOYSA-N 441.460 1.593 30 10 IDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)OCCN2CCOCC2)cc1 1851369004 WIELTKHPHNMOJC-NRFANRHFSA-N 443.525 1.323 30 10 IDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1ccccc1 1851375600 XCXSBEXXTLQWTK-INIZCTEOSA-N 426.546 1.905 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1=O 1856919494 PJIZGBURLOXQDD-INIZCTEOSA-N 431.514 1.311 30 10 IDEE O=C(O)[C@@H](CS)NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 1859455449 AWMWXTMRZMPFST-MRXNPFEDSA-N 434.495 1.187 30 10 IDEE C=CCN(CC=C)C(=O)c1cc2c(N(CCOC)CCOC)ncnc2n1CCOC 1873560079 MKVAOIQSEQZBJR-UHFFFAOYSA-N 431.537 1.991 30 10 IDEE CC(=O)Nc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889512738 BRZQBQOOTRIILN-UHFFFAOYSA-N 426.561 1.446 30 10 IDEE C#CCN(CC(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985004573 LRPDIAZYKHWBDT-CVEARBPZSA-N 425.526 1.591 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2076822447 UVOSFVZSOVFDRK-VFNWGFHPSA-N 440.346 1.270 30 10 IDEE C#CCN(CC(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2216452214 AWVBTSLLUYYQDZ-KSFYIVLOSA-N 439.553 1.981 30 10 IDEE CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243685144 OBOXEJYPMQECMP-UHFFFAOYSA-N 426.348 1.843 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255630327 IQCXIVBKECRUHF-CQSZACIVSA-N 434.346 1.941 30 10 IDEE COCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CN(C(=O)OC(C)(C)C)C1 2255707546 XODBJTKUQDAEMR-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCN1Cc1ccccc1 2255943860 XBDASHMYRQGWAR-QGZVFWFLSA-N 446.382 1.272 30 10 IDEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256617560 KEQCTQURROAJQR-MRXNPFEDSA-N 430.314 1.823 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256620856 NURDLAKARCQEGS-GJZGRUSLSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256670957 LXXBJJVQVNDBAT-HUUCEWRRSA-N 437.346 1.982 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2256886616 LNYOIICGNNGSFA-GOSISDBHSA-N 426.278 1.781 30 10 IDEE Cc1c(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266991281 DRTHDORMCUDDIF-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266994929 BDDSOTKORAFBPX-QWHCGFSZSA-N 441.259 1.910 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)cc1B1OC(C)(C)C(C)(C)O1 2267130116 KFXWKERJXMYKKR-OAHLLOKOSA-N 446.357 1.991 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267286070 MCBADWHFXGARRT-UHFFFAOYSA-N 449.313 1.126 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 2267495910 RKSJZLIMDHEMQS-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)n1 2267537434 PWIJBFONMAVQCN-NRFANRHFSA-N 447.345 1.340 30 10 IDEE COC[C@@H](O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311775 NAVXJOBLJPRQCA-JTQLQIEISA-N 425.765 1.376 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NCCO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642980 ADHLLVLYTWRLEA-YAZMDYRTSA-N 447.572 1.762 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)n1C 2315522002 FVPGLWHIDSSORG-CQSZACIVSA-N 434.346 1.767 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204811 PRECVYAZFFYUII-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)n1 2343640977 REPMBFZIOUYLFQ-FPTDNZKUSA-N 446.357 1.991 30 10 IDEE C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)[C@@H](O)[C@H](OC(=O)c7ccccc7)C[C@@]47[C@@H]6[C@@H]5C[C@@]3([C@@H]1O)[C@@]7(O)C2 100897240 FOIZZXKAYVIZQC-OAMFIKHJSA-N 449.547 1.744 30 10 IDEE in-vitro COC(=O)C1=C/C(=C2/N/C(=C3/C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)C(=O)C=C1 203528606 PGLQINZEMMRJTR-NWILIBCHSA-N 431.404 1.656 30 10 IDEE Cc1ccc(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)cc1S(=O)(=O)NCC#N 427995748 MATVIZADFHUWOA-LUKCQTGZSA-N 427.526 1.036 30 10 IDEE COc1ccc(OC)c(CCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460572957 IABYDAXNLZNHQK-UHFFFAOYSA-N 434.456 1.762 30 10 IDEE COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 480719171 XRYYCENMYAPZGZ-UHFFFAOYSA-N 446.504 1.792 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C(C)(C)C)cn1 480939867 TVKXQXRSTQZBET-RXVVDRJESA-N 435.532 1.724 30 10 IDEE C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)C1CCOCC1 481219845 HDHPQEGTMFIIJM-GUYCJALGSA-N 437.543 1.381 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@@H]3CCCO3)c2=O)o1 484542232 MFGXBPUFKJSRJF-INIZCTEOSA-N 445.566 1.069 30 10 IDEE CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](OC2=CC(=O)c3ccccc3C2=O)[C@@H]1OC(C)=O 504082875 PBVBOLVTNHFTRS-GFOJFJKKSA-N 432.381 1.118 30 10 IDEE biogenic C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 508885533 QNVHITUKLVCKQE-AEFFLSMTSA-N 435.525 1.930 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccn2)c1=O 533579508 HXGLMVNCYZQVDJ-UHFFFAOYSA-N 433.537 1.636 30 10 IDEE COCCn1cc(NC(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cn1 538296953 VNFKPEQIIBTORL-GOSISDBHSA-N 436.476 1.193 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 542069668 IFMXCFKNXAFXMX-HIFRSBDPSA-N 447.904 1.371 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(C)(C)CN(C)C)c1=O 556784705 DHFNGZZXADSNQC-UHFFFAOYSA-N 441.601 1.412 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1Cc1ccon1 568597489 FALTUPLCMRYOGS-UHFFFAOYSA-N 437.506 1.113 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(CC#N)ccn1 580796730 AFSNSQNFZBSKAH-UHFFFAOYSA-N 443.529 1.735 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 603797317 BIFKDZGDGSWSBR-AWEZNQCLSA-N 431.464 1.149 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)CC1 604161357 ZWHNMGZUWVIQGU-HXUWFJFHSA-N 429.565 1.462 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(C#N)cc2F)o1 609228782 GNIDNGALRXTVNA-MRXNPFEDSA-N 449.460 1.937 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@H]1CCCO1 611916147 LDFWVRKKEIATGH-GOSISDBHSA-N 448.548 1.665 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCN)s1 703978431 ORVIJIJXYLUUTL-UHFFFAOYSA-N 432.527 1.517 30 10 IDEE N#C[C@@H](NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br)C1CC1 731203157 KYYYJPUUBQEOGV-MLGOLLRUSA-N 442.335 1.938 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 748408508 XEPNEROJZOWTHB-OAQYLSRUSA-N 449.463 1.534 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)n1 761043378 SCQRIMIUWFUIOJ-UXHICEINSA-N 435.484 1.374 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCO1 775326511 FXJYWDGXGMPCHY-BBWFWOEESA-N 441.347 1.899 30 10 IDEE C#CCOc1ccccc1CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 780834861 ZBUQMGIWCMNJNH-UHFFFAOYSA-N 425.510 1.985 30 10 IDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H](O)c1ccc2c(c1)OCO2 787740202 QNULRHWRGZAFJR-DJJJIMSYSA-N 431.470 1.459 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 788936397 OESLWERCUUOBJJ-IBGZPJMESA-N 427.549 1.347 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)C1 802143038 KNJKRDGMBTVLHA-CRGRJFMMSA-N 447.536 1.945 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 809929656 YEZKSNTYWUFNLI-CABCVRRESA-N 443.570 1.642 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 917001193 XCQLLQNPJDMRDC-UHFFFAOYSA-N 438.507 1.367 30 10 IDEE CCOc1ccc(C=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)cc1 1083915640 UNKQDWACUPMTQL-UHFFFAOYSA-N 441.477 1.074 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1(C#N)CCOCC1 1124215830 UWIQCYXPVIFBEJ-UHFFFAOYSA-N 437.518 1.755 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 1125641973 UXTGUZQQXWMVCC-QGZVFWFLSA-N 444.507 1.926 30 10 IDEE CC[C@@H](Sc1nc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cs1)C(N)=O 1136041279 VRLLCUJZTYLUGB-OAHLLOKOSA-N 430.559 1.657 30 10 IDEE CCCNC(=O)CN1CCC(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1141606297 TVPRYTWTSVGPJZ-UHFFFAOYSA-N 434.581 1.744 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1155521575 UIVSWRBAGVIKAU-KSFYIVLOSA-N 449.507 1.660 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)cc1 1159110694 CWSZNRXYZFUEKC-UHFFFAOYSA-N 434.562 1.332 30 10 IDEE N#Cc1cnn2c(O)cc(CN3CCNC(=O)[C@@H]3c3ccc(OC(F)(F)F)cc3)nc12 1169232590 GVCJUVGRDHCEAB-INIZCTEOSA-N 432.362 1.878 30 10 IDEE CON(C)S(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1184272982 NERCDOGFLDWTKV-UHFFFAOYSA-N 447.469 1.386 30 10 IDEE C#C[C@@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1198526854 VUVZTNBRPCCNBT-GOSISDBHSA-N 449.573 1.921 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)CC 1286278839 HEMGCVXUNDYAGI-OHZJNBGDSA-N 437.591 1.422 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286310971 BFHUFYRHTHJNKP-SFHVURJKSA-N 447.547 1.694 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1286387470 RFCHDYBXECNNEL-INIZCTEOSA-N 442.545 1.817 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1286387790 IEZOGJMIKPMYHR-INIZCTEOSA-N 448.545 1.626 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286392460 MFCTURKEIGVZFA-RTBURBONSA-N 431.562 1.562 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1286470966 HBBJNJJMJOXWQG-QHCPKHFHSA-N 440.548 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC)cc2)CC1 1286471722 NKJBLBLZZGHLKI-QGZVFWFLSA-N 446.577 1.091 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cn2)CC1 1286483803 ZGMQISXOAJWHGV-UHFFFAOYSA-N 443.939 1.283 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)cc1 1287696950 FUYPNLNHPVDEMY-UHFFFAOYSA-N 440.525 1.542 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1288037225 BUTWRXBZQDMQGM-UHFFFAOYSA-N 439.520 1.206 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1288323573 SZSZTLDVKLXPCZ-HRAATJIYSA-N 434.541 1.210 30 10 IDEE CC(C)OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1288382723 AVBAAKNBNGBXPY-WMZOPIPTSA-N 436.582 1.172 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1288997298 SGRNTWRXERMVIW-DLBZAZTESA-N 442.545 1.355 30 10 IDEE N#C[C@]12CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@H]1CS(=O)(=O)C2 1289436110 IJRUKTQBGUUGBY-SUMWQHHRSA-N 435.303 1.645 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OC[C@H]3CCOC3)CC2)s1 1295466867 ZRLMJJBPQCLLLD-HNNXBMFYSA-N 428.576 1.799 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 1298007014 GZSZHBLNINQWIH-SOLBZPMBSA-N 434.562 1.263 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300487439 JJQHRYDBKRNGBR-XGHQBKJUSA-N 431.562 1.461 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300491892 JMFKXUVTSGAYAK-BQFCYCMXSA-N 444.561 1.565 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1300498743 MNWASUQMAXWSGT-IBGZPJMESA-N 428.558 1.841 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300768445 RHBORWRGIHCNPK-PKOBYXMFSA-N 425.558 1.981 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1301424394 KUFDFHDRNGSJPH-HNNXBMFYSA-N 425.580 1.827 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301448890 GSJLMBYCZSVLRB-YCRPNKLZSA-N 426.525 1.320 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301511846 GLISSMPCVSTJIY-UDJKBAMHSA-N 425.493 1.662 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(C)C)CC1 1301569235 UBRFCVAQABSBFA-HNNXBMFYSA-N 447.627 1.362 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc([C@@H](C)O)cc1 1303889836 HXTFKVULKJKNPH-LSDHHAIUSA-N 432.550 1.730 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1303934235 PYMPTKFDTFGOTJ-SQGPQFPESA-N 436.582 1.726 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)c1 1306652501 SWLPOLWQSLUEKP-SFHVURJKSA-N 426.498 1.258 30 10 IDEE CCN(C1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1)S(C)(=O)=O 1312944662 GDBDAELPFGCCDO-UHFFFAOYSA-N 447.605 1.978 30 10 IDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc(OC)c1OC 1315298701 GIQAHSMTNXNWAV-SPLOXXLWSA-N 444.467 1.691 30 10 IDEE COc1cc(OC)cc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1320865272 ZDPNRHZXFIRREO-AWEZNQCLSA-N 429.454 1.433 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCc1ccc(C#N)cn1 1324141696 LXSQMXRNVRGSBZ-UHFFFAOYSA-N 444.513 1.645 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1358870541 OXGYCSVGPYKWEW-JCGIZDLHSA-N 431.924 1.859 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358961837 FZAVXNYHJQIKKN-SJORKVTESA-N 449.577 1.063 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358962383 OWXJZINWKPUMQQ-RTBURBONSA-N 439.541 1.569 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1359000401 UQRMIRQNGYRKOL-ULQDDVLXSA-N 440.614 1.236 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@H](C)C2)CC1 1359046767 FHHOKHTWCKYVJB-ZWKOTPCHSA-N 426.565 1.803 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359048471 RLRWJBANOBGJJL-INIZCTEOSA-N 448.593 1.984 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1359113150 AVIWGKBVQTVKRW-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359148761 BTRBPXSRANYHAO-UHFFFAOYSA-N 445.955 1.382 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1359304026 ITTWEDSAZALKJN-GOSISDBHSA-N 440.548 1.868 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1359340063 ZSUFFMKFJUYPMR-SFHVURJKSA-N 445.545 1.587 30 10 IDEE CC(C)(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1359518691 KYIGGCIELNCLKW-KGVIQGDOSA-N 443.573 1.869 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1438147168 KHVYWAGMXLAESH-KRWDZBQOSA-N 436.530 1.403 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1439612331 HJXHZAWLCYCZJI-FIKGOQFSSA-N 433.530 1.692 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(CN2CCCCC2)CC1 1457066303 LSGIEQBTTGNLMU-UHFFFAOYSA-N 448.589 1.345 30 10 IDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1=O 1457530603 GDEQHHYLASVNRE-HNNXBMFYSA-N 446.504 1.775 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(CCN3CCOCC3)CC3CC3)C2=O)cc1 1470444516 MEXOCCXXTLMDIU-HXUWFJFHSA-N 439.516 1.334 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CCN(c2ccccc2C#N)CC1 1470983612 OBUODJGDPDLTAT-QHCPKHFHSA-N 427.549 1.442 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1472371663 WQCWABXQLZRJCF-INIZCTEOSA-N 443.504 1.631 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 1473481070 WTAMTMBZNRUDBU-CTNGQTDRSA-N 434.581 1.158 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1475411735 IBZFPQGFDACULI-UHFFFAOYSA-N 425.507 1.607 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCS(=O)(=O)C1 1479232912 BBHQQECKFFPGQR-CXIVCQEWSA-N 440.562 1.488 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CCCCCO 1494136241 KYFGVLIGFQRMER-QGZVFWFLSA-N 435.536 1.823 30 10 IDEE Cn1cccc1-c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCNS(C)(=O)=O 1503664774 CNVLTZRKDIKLPM-UHFFFAOYSA-N 439.545 1.873 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507610107 HQHRZLULJIGQHP-OAHLLOKOSA-N 433.534 1.313 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1507690850 YBWFMORMHRDQBM-NUJGCVRESA-N 439.582 1.274 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507879064 PVUOLSPBLKIRBT-OAQYLSRUSA-N 448.545 1.668 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(S(C)(=O)=O)CC1 1508061111 JWMIILUFLRDBBW-UHFFFAOYSA-N 431.566 1.652 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2COCCO2)C1 1508118009 VTKXTWNWWPAUPE-DXIQSLLYSA-N 436.553 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1508148472 IAWOPBBBUDYGDS-LJQANCHMSA-N 428.555 1.146 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1510368645 DVJMDMDJNLXEJR-IRXDYDNUSA-N 428.493 1.622 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)Br)CCO1 1521122347 VMLIRLSZUXYCAM-SNVBAGLBSA-N 442.224 1.642 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)c1 1528411329 COHGPTVZRKJSQW-OAQYLSRUSA-N 435.484 1.095 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 1535528293 KTZKRGJKRDCSTK-CVEARBPZSA-N 430.571 1.894 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCNS(=O)(=O)c3cccnc3)CC2=O)cc1Cl 1537374057 GLBYVLVHPFIMDN-CQSZACIVSA-N 447.904 1.054 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1538971435 HBDULABPMMHVJC-VXGBXAGGSA-N 430.456 1.808 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1539212314 USKJWDKFVDJMHX-IBGZPJMESA-N 427.530 1.606 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1539327585 BPOYQCOLYYPNKS-UHFFFAOYSA-N 436.535 1.635 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1539491019 KGSBRFXSUWDQKV-UHFFFAOYSA-N 440.573 1.745 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1540151375 GXJLGEWEXVMOGQ-IBGZPJMESA-N 445.593 1.669 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)s1 1540533074 KAFQRVFKRKSZAV-HUUCEWRRSA-N 429.608 1.759 30 10 IDEE Cn1ncc2c(N3CCN(C(=O)Cc4ccc(Br)cc4C#N)CC3)ncnc21 1540593251 NNXVLRYJKWEFJN-UHFFFAOYSA-N 440.305 1.889 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540870150 GCLNLOLGYMVBHK-GOSISDBHSA-N 439.520 1.179 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC)C(=O)C1 1540902937 UQDXNXBDTBLKON-MRXNPFEDSA-N 425.555 1.179 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@](C)(O)c1ccco1 1541925354 AZZUMRSUOSJQKU-IFXJQAMLSA-N 436.538 1.519 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1nccn1C 1543675601 ROSJBZSLQSWGDF-ROUUACIJSA-N 434.418 1.895 30 10 IDEE CC(C)OCCOC[C@H](O)CN(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1545327439 NOCHVADMQQKVHA-LJQANCHMSA-N 426.554 1.898 30 10 IDEE CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1546842090 GPBXSQBLMJORBY-VGSWGCGISA-N 438.536 1.374 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2CCOCCCO)cc1 1555988745 NNYLLFIIMGKQLV-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1CCc1ccccc1 1559456948 UBDIBTDEBBIOJI-UHFFFAOYSA-N 434.496 1.726 30 10 IDEE COC(=O)[C@H](c1cccc(OC)c1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1559639867 FMUVCWZBTIYMDN-FQEVSTJZSA-N 429.498 1.787 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)CC1 1565313602 OQOHXWROSYWISY-OTQYULQBSA-N 433.549 1.827 30 10 IDEE CC(C)(CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@]1(O)CCOC1 1570644998 RJKPCRJKIPUQPF-OAQYLSRUSA-N 437.562 1.579 30 10 IDEE CO[C@@H]1C[C@@H](C(=O)Nc2nc3n(c2C#N)CCOC3)N(C(=O)OCc2ccccc2)C1 1586253920 FPWKHUVCJGDONY-CVEARBPZSA-N 425.445 1.650 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N(C)C 1587620646 IWRJPIKNNJQNQT-HNNXBMFYSA-N 428.518 1.949 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1587638831 HNAWOZWZJUDCJB-PONJGIIJSA-N 446.552 1.523 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1588064649 MMSQRKHZCPQXIZ-INIZCTEOSA-N 449.602 1.329 30 10 IDEE C=C(Cl)C[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OCC 1588122614 QDILOXSIFAHTHX-VIFPVBQESA-N 446.689 1.083 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)CC1 1588742620 UAGSAAIVJRLPQJ-CABCVRRESA-N 430.525 1.079 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(C)=O)c2)CC1 1588864570 GKUVLLLPWBRCEC-UHFFFAOYSA-N 435.532 1.162 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCSC)CC1 1588885342 VPNLSKGUHMXEST-UHFFFAOYSA-N 441.561 1.644 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1593777054 ULTMJSLFRBDTGG-ZVVDCOBXSA-N 436.553 1.979 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595639610 DVJGDLIEWDHBPM-HSZRJFAPSA-N 438.532 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595784099 CIZJLSWNIXRUHU-OXQOHEQNSA-N 433.534 1.325 30 10 IDEE C=CCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)OC 1596243337 GGVHSJUHSJBDQT-ANIPCXSSSA-N 427.501 1.804 30 10 IDEE N#CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(F)(F)F 1596784279 XDSLQSMKQVZOMG-LBPRGKRZSA-N 425.454 1.715 30 10 IDEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1611790653 JOHKCVURFIIGDZ-SFHVURJKSA-N 445.545 1.779 30 10 IDEE Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1612018115 INHMAFUUFXPEDW-UDJKBAMHSA-N 426.477 1.846 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1613320727 PJTWHGAGZUBSJH-MRXNPFEDSA-N 443.577 1.962 30 10 IDEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)OC 1614410997 CXPCYGZZLGPYIP-HKUYNNGSSA-N 439.520 1.758 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1615213661 RZRRVYHIAMNHOK-SFHVURJKSA-N 449.602 1.946 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C 1615872151 KMSPVBHGKQPPDU-DZFGPLHGSA-N 440.548 1.799 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C[C@H]3COCCO3)C(F)(F)F)C2=O)cc1 1618731327 NFUHZCNIDWJAET-ULQDDVLXSA-N 425.407 1.759 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 1622325153 MFUXZAJCVFHKNE-UHFFFAOYSA-N 448.538 1.941 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ccccc2S(=O)(=O)CC)c1 1622541278 BOOJZLYFJHMREI-UHFFFAOYSA-N 436.555 1.917 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(O[C@@H]4CCOC4)CC3)C2=O)cc1 1626172701 XNGYRSIPMFLLTM-RTBURBONSA-N 426.473 1.560 30 10 IDEE COc1ccc(-c2nc(CCNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)co2)cc1 1627476588 KLJNRRUJBSWAKT-UHFFFAOYSA-N 440.481 1.859 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(O)nc(S)n1 1628255712 YTRJFXCQTKBUBC-CYBMUJFWSA-N 435.531 1.241 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1631795597 XJPWGVPXUOMRDB-MRXNPFEDSA-N 430.480 1.536 30 10 IDEE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304383 MPMZFGMNRQAWFV-CQSZACIVSA-N 437.474 1.904 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 1636740045 ZBPFQQDSPMMZIU-HWWDLCQESA-N 448.545 1.487 30 10 IDEE COC(=O)C[C@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1cccnc1 1640972916 XZTSZYJVLIJFCE-FQEVSTJZSA-N 430.486 1.400 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 1645163991 SXWIFEDWHMLCPF-OXJNMPFZSA-N 442.541 1.108 30 10 IDEE Cc1cc(N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)n2c(nc3ccccc32)c1C#N 1655475178 BPGMPYSNIMXNPN-UHFFFAOYSA-N 446.558 1.762 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)n(-c2ccccc2)c1C 1659159655 UZLYQGOWXWVOSS-QFIPXVFZSA-N 442.541 1.794 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 1659727296 FLVAKCJIZPIPHD-MRXNPFEDSA-N 441.937 1.557 30 10 IDEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)N(C)C[C@H](C)C#N)cc1Br 1663387775 ABIVVFCUUMXOCF-TZMCWYRMSA-N 434.356 1.535 30 10 IDEE N#CCNC(=O)CNC(=O)N1CCc2cc(Br)c(Br)cc2C1 1682185369 KXBFSAHUCAELTP-UHFFFAOYSA-N 430.100 1.919 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)OC)c1 1689868934 VTCPFHCQASTFQR-UHFFFAOYSA-N 426.521 1.898 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)CC1 1689879632 CFHDGJZWCHAEST-UHFFFAOYSA-N 445.589 1.921 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)C(=O)NCC2)[C@H]1CCS(=O)(=O)C1 1689979419 AMYGZFUPTWBAIP-SFHVURJKSA-N 441.557 1.362 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1690101133 PGZMDIQSEDWHGZ-GOSISDBHSA-N 449.559 1.620 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1690302801 LXCPMYALYLPVAT-QGZVFWFLSA-N 447.561 1.643 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NCC)CC1 1690342655 RKHZGLCVSMDQGR-UHFFFAOYSA-N 435.916 1.016 30 10 IDEE C=CCCOCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690512195 PJYRGYWVXKHWMY-VXKWHMMOSA-N 436.553 1.907 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(OC)c(C)cc2C1 1690644459 MVBDOGOVVIIROX-LJQANCHMSA-N 447.561 1.677 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1690661206 WTNAACBEPKLUFM-JKSUJKDBSA-N 444.511 1.951 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1690670872 LCXRGRJELDFESZ-GUDVDZBRSA-N 446.596 1.996 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)N(C)C)C1 1690710133 OYPPQZRFOUKTID-MRXNPFEDSA-N 425.580 1.603 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1694031260 NOPNSYYHBLYPIB-QNCLTPOOSA-N 427.553 1.991 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705503192 QQGVIYSHGMWGMH-SJLPKXTDSA-N 442.545 1.468 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705503193 QQGVIYSHGMWGMH-WMZOPIPTSA-N 442.545 1.468 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)C2CCC2)c1 1705541722 PQUVJKAONWQONT-OAHLLOKOSA-N 444.561 1.745 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570427 NGKVDJIKCJYWSA-INIZCTEOSA-N 437.610 1.798 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1705571474 ZVCJIBCIKJYTPH-IBGZPJMESA-N 428.558 1.605 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1705612387 GGVWOZWNASQCDD-IBGZPJMESA-N 429.546 1.784 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1712155913 QCLRWRRIWAKJSQ-KRWDZBQOSA-N 435.488 1.845 30 10 IDEE COCCOCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1712612339 DQVRGICYFZXNGB-FQEVSTJZSA-N 437.504 1.913 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722419110 ODGDZQCFKXTCOU-QGZVFWFLSA-N 448.568 1.761 30 10 IDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCS(C)(=O)=O)CC1 1722431179 NCJPFBPEVTXRNM-UHFFFAOYSA-N 441.601 1.938 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOCC(F)(F)C(F)F)CC1 1722438750 AKSOFAZJWFIONQ-UHFFFAOYSA-N 440.445 1.936 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1722440977 MNYJNJXSEHRTMV-UHFFFAOYSA-N 445.527 1.197 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1722515763 XQMYNDDRTQBCQZ-KRWDZBQOSA-N 436.520 1.907 30 10 IDEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1722644879 RYYNBGDDZHNHAN-IBGZPJMESA-N 438.575 1.751 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N(C)C)CC1 1722696208 FERUKJRYVDOSQG-UHFFFAOYSA-N 445.955 1.111 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1722793702 DVZKAIJNSWCSJB-UHFFFAOYSA-N 448.531 1.796 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723583111 HKRDQSDIUMVPBH-DXQAYGFFSA-N 429.525 1.425 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1723650877 JYVIIQRQDAVHHH-GOSISDBHSA-N 448.531 1.981 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCOC(C)(C)C1 1727602343 BNOHTSMWAQFXKE-UHFFFAOYSA-N 441.584 1.192 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740652533 CUDWVBHEMMOKSF-JOCHJYFZSA-N 437.525 1.439 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740739595 WKEGGZBJMZSGTJ-QWHCGFSZSA-N 429.319 1.125 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740963447 LGEZMIGSWYXDSU-MOPGFXCFSA-N 438.532 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740992838 OKECPSXHHZLSIO-UWJYYQICSA-N 447.561 1.249 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(F)F)C1 1740995065 YPMDXWGGEFQASH-CQSZACIVSA-N 431.509 1.483 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1747527216 ONBZRSAIQWVSCY-UHFFFAOYSA-N 448.535 1.588 30 10 IDEE CO[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1748393744 HFPRIBAKAJSXGX-FPOVZHCZSA-N 439.564 1.406 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1748864512 YLHIPMULTRKZEZ-WMZOPIPTSA-N 427.530 1.355 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)N(CC)CC)CC1 1748987064 PMTGDAYTNIVVJZ-KRWDZBQOSA-N 427.553 1.491 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCOC1 1749650678 FHGBAXJIJNYJAO-INIZCTEOSA-N 432.912 1.389 30 10 IDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 1749684287 VDZMSUWGFXIDIK-UHFFFAOYSA-N 438.532 1.471 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(C(N)=O)CCOCC2)C1 1749715665 UYWSQWISRYJNJL-GOSISDBHSA-N 426.521 1.327 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1750058981 ACSGCKUHBOWZTJ-IEBWSBKVSA-N 445.545 1.493 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNS(C)(=O)=O 1751096813 YHGFWHIEAXIADK-OAHLLOKOSA-N 430.538 1.194 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCCO1 1752387497 HCRZDCIRMBZLJJ-SJLPKXTDSA-N 445.545 1.779 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCOCCS(C)(=O)=O 1760167706 ZVVOXBNEPQLFRW-UHFFFAOYSA-N 447.380 1.900 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760183410 OWKBJIIVLVFZMG-ICSRJNTNSA-N 439.541 1.870 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1760232327 AOFATFBOUCNZDQ-UHFFFAOYSA-N 436.516 1.676 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[S@@](=O)CC)CC1 1760255283 XFARMVKYDISZLN-PMERELPUSA-N 431.562 1.486 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NCC)CC1 1760299788 HSFMMKGTQXZCAR-UHFFFAOYSA-N 428.335 1.176 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC(C)C 1760454786 SPSCPGWTZIEDKS-UHFFFAOYSA-N 445.387 1.996 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnc(C)s1 1760521387 RCWGFACUAYIRQE-UHFFFAOYSA-N 429.506 1.709 30 10 IDEE CC(C)(C)c1nccc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)n1 1760721514 MVAGXKIEZOKHAF-IAGOWNOFSA-N 438.536 1.678 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1761356424 HEHALWDCLZMIBB-NSHDSACASA-N 446.313 1.985 30 10 IDEE CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)o1 1765622202 HZVCBDLHMFKNRA-UHFFFAOYSA-N 435.488 1.962 30 10 IDEE CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766523077 LRSDFBZAOZGECC-GOSISDBHSA-N 438.536 1.639 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1766864530 LZJGWMWRPPIGKU-SFHVURJKSA-N 438.536 1.591 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1767360005 IZBCTPAHIQNEOZ-UHFFFAOYSA-N 440.533 1.274 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1=O 1771138045 MRPFSWSETWXUAV-UHFFFAOYSA-N 431.456 1.625 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1772790958 WDESIEOQQFWEGH-MRXNPFEDSA-N 428.466 1.983 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCCc3nc(Br)cc(N4CCOCC4)c32)CC1=O 1849669486 OHLIFXAIWNAGDA-AWEZNQCLSA-N 449.349 1.994 30 10 IDEE N#CCOc1ccccc1C(=O)OCCN1CCN(S(=O)(=O)c2ccccc2)CC1 1851114569 KHWOTCQELDIGIE-UHFFFAOYSA-N 429.498 1.752 30 10 IDEE COc1ccc(OCC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c(OC)n1 1852785131 RVJGAJFOHHCMCF-UHFFFAOYSA-N 427.461 1.110 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)C(=O)[C@H]1C 1854312820 ORSBEOOOCQGFRF-VQIMIIECSA-N 435.546 1.484 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)[C@H](C)C2=O)CC1=O 1854614736 KEJABPDZTOGKRB-ZIAGYGMSSA-N 439.921 1.123 30 10 IDEE CCC[C@@H](F)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855825633 PMVHSIJKEQFKLR-FUHWJXTLSA-N 436.509 1.130 30 10 IDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)[C@H]2Cc3ccccc3O2)C1=O 1857084990 YDXKCLWHOFJXSY-AUUYWEPGSA-N 425.466 1.859 30 10 IDEE C=CCN(CC=C)C(=O)CNC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162929 VZKBSTUCYJLISU-GOSISDBHSA-N 429.517 1.412 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)N2CCC(CO)CC2)sc2c1CCC2 1872637168 RGSBLYWQHLMJBY-UHFFFAOYSA-N 445.501 1.282 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)cc1 1874433700 SZVHKMGERONCTL-DNTJNYDQSA-N 431.503 1.689 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1 1891882082 VNUDUMMKWJHSRN-IBGZPJMESA-N 444.488 1.783 30 10 IDEE CN(Cc1csc(C#CCN)c1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2145992141 UCIXPRJGKZQRFV-UHFFFAOYSA-N 445.566 1.896 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2251307128 RYTJLRQAHBMRMZ-VFNNOXKTSA-N 444.359 1.228 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255542000 LLADLUWQVISDFA-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE Cc1nn(C)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255626219 CSEFYFNUGWOLMA-UHFFFAOYSA-N 434.346 1.815 30 10 IDEE 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1.698 30 10 IDEE C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ccncc1 749781626 XUJAPLDPSGHOPD-CILNGMPWSA-N 443.529 1.753 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 751921997 KYXXVHIHFJKAKG-IUODEOHRSA-N 439.969 1.474 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757475488 GVOKSIQWZCNFMF-BTYIYWSLSA-N 436.464 1.869 30 10 IDEE O=C(O)C#CCNC(=O)[C@H]1OCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757488216 YSJIMGLEOJGPJZ-UNMCSNQZSA-N 434.448 1.887 30 10 IDEE Cc1ccn(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c(=O)c1C#N 763176297 WKCAUAVZTUEDIX-ZSOIEALJSA-N 426.498 1.173 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(OCCCO)CC1 769200325 OPYBBTAZUQWOSG-UHFFFAOYSA-N 437.562 1.676 30 10 IDEE C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 779321106 JLUIKXUIBOXGBO-AWEZNQCLSA-N 427.548 1.570 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780984135 SGTSCYPRBBSVJF-IBGZPJMESA-N 449.916 1.787 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 790107899 OLTGPZITMDJUFJ-NRFANRHFSA-N 444.557 1.735 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CC1 795025589 ADRHNBBQRSJKME-DHIUTWEWSA-N 438.572 1.791 30 10 IDEE CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCO1 807248539 AXBMNIMAYLYLBI-QGZVFWFLSA-N 426.498 1.266 30 10 IDEE C=CCn1c(-c2ccco2)nn(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1=S 811791573 WWEHDSCTFZNIBO-UHFFFAOYSA-N 426.568 1.632 30 10 IDEE C#CCN(c1nnc([C@@H]2COCCO2)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812057234 SYPFJCFAKNEHSW-MOPGFXCFSA-N 430.530 1.235 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 813561980 BJMVYOOPMMEBNC-FZMZJTMJSA-N 430.465 1.711 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(S(=O)(=O)NC)c3)n[nH]2)c1C 1136191462 NQIMFTITEDZZSR-UHFFFAOYSA-N 428.518 1.914 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)[C@H]1c1nccn1C 1143719971 KEAZUXPPZQLQNU-GIVPXCGWSA-N 436.516 1.317 30 10 IDEE Cc1cccc2c(=O)n(CCC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cnc12 1161796973 HSDJHANRKQUGKI-UHFFFAOYSA-N 434.452 1.999 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(CC(C)C)c2-c2ccccc2)CC1 1175514792 IVTWVIRVGRKXBJ-UHFFFAOYSA-N 429.546 1.432 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2Cc3ccccc3OCC2=O)cc1 1216704600 AMADAMVUTXDGEJ-HNNXBMFYSA-N 442.497 1.915 30 10 IDEE C#C[C@H](NC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)C1CCOCC1 1223902537 SSSQQKWIRQPOHG-UXHICEINSA-N 429.517 1.588 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1NC(=O)CC1(C)C 1286369833 BWDGJQZWUQWNEQ-HNNXBMFYSA-N 429.550 1.222 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1286397778 URUZWEOQVBWHDM-LJQANCHMSA-N 448.593 1.651 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 1286411443 UVZGITBCPIBSQF-IBGZPJMESA-N 428.487 1.693 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1286457122 GVWIORBOUGCNCC-MRXNPFEDSA-N 439.582 1.181 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nccs1 1286546776 LPDYSIVLLKXFMO-FMKPAKJESA-N 440.595 1.962 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286711925 REFVAGRUZISRCY-OALUTQOASA-N 432.569 1.118 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1286782928 HUKMXQDSMBFVME-UHFFFAOYSA-N 434.548 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286823396 MVOQXGGITBUHFW-IEBWSBKVSA-N 448.593 1.744 30 10 IDEE C=C(C)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1287779736 YMRARBJSXALTTM-CQSZACIVSA-N 433.324 1.694 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1288321744 ZYLJLAGGLAZARZ-YCRPNKLZSA-N 428.493 1.499 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1288517266 BNOOLROTFDNEJH-GOEBONIOSA-N 445.549 1.266 30 10 IDEE CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1294124355 FKHYSGOQEMEIPF-UHFFFAOYSA-N 435.532 1.934 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1296994627 RRTQBWYHCIMOQL-QGZVFWFLSA-N 442.582 1.990 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300491980 KOFSOPRQLLNUMG-HKUYNNGSSA-N 442.589 1.758 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1300579850 YBUFPVCJZNSHGC-QGZVFWFLSA-N 443.511 1.416 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCNC(=O)C2CC2)CC1 1300710080 RFGDWCJQSTXFCE-UHFFFAOYSA-N 436.560 1.701 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCOC2)C1 1301509206 CENMGERMMVDQQD-HXUWFJFHSA-N 430.534 1.189 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301576449 VBTYSWAPYADUDC-NRFANRHFSA-N 440.529 1.134 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1302483448 CDQYTGUTTVCPRR-VQTJNVASSA-N 425.472 1.770 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCc3c(CC(N)=O)cccc3C2)CC1 1307997317 PQYOTBXXKLAGMO-HXUWFJFHSA-N 437.569 1.543 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)CC1 1309871061 ZEGYAPYSAWHKOP-UHFFFAOYSA-N 448.372 1.836 30 10 IDEE CC(=O)N(C)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1310904847 AZINTAGTJFCECY-UHFFFAOYSA-N 442.501 1.474 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOCC)CC1 1313488260 DAJUTILVKFRORG-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1316293956 BXHNMTZGRARYSL-LPHOPBHVSA-N 442.520 1.820 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1316356385 MHHVFKGYPJJCPR-ZDUSSCGKSA-N 442.904 1.406 30 10 IDEE COCC1(c2noc(CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)CCOCC1 1324250501 KUJJEMHSVIBAHR-INIZCTEOSA-N 425.445 1.693 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC(C)C)CC1 1358927869 LRNDRXCRERGBMK-UHFFFAOYSA-N 428.537 1.966 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCS2)n1 1359028213 KWVCQEFBGGTOJL-QZTJIDSGSA-N 443.577 1.608 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1359028654 ZJYPMLQVXUMGRF-KRWDZBQOSA-N 447.584 1.427 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2)CC1 1359029320 UUSOLGBEVZLWJV-GOSISDBHSA-N 430.578 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(O)c2)CC1 1359040247 NGJVXGIAGLDPSB-UHFFFAOYSA-N 436.516 1.234 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCn2ccnc2C)CC1 1359044622 KILUMUJTUWUPIX-IBGZPJMESA-N 425.537 1.691 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359081497 CSTKWPOSJYQHBJ-CYBMUJFWSA-N 429.344 1.601 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1359090100 UQKKNBQOKGJYJM-QYZOEREBSA-N 432.569 1.750 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(=O)NC 1359098236 YUPCYEKCDJXQGX-IFXJQAMLSA-N 430.509 1.559 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc3n2CCC3)C1 1359312388 UKPFGOSSGTZASL-INIZCTEOSA-N 428.541 1.564 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCS(=O)(=O)C2)C1 1359323249 KQPNDPMHCCMICC-WBVHZDCISA-N 437.591 1.850 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2COCCO2)C1 1359324680 QIAYMSUWUPALES-HZPDHXFCSA-N 433.534 1.466 30 10 IDEE CC1(C)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCS(C)(=O)=O)C[C@H]21 1360798943 RTPIXKXWQXHHMO-QZTJIDSGSA-N 429.546 1.970 30 10 IDEE Cc1ccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1B1OC(C)(C)C(C)(C)O1 1445187368 NTOABZADWLKZTR-UHFFFAOYSA-N 449.338 1.132 30 10 IDEE CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 1456594026 SEUQDPILLFTAMZ-FMQUCBEESA-N 448.520 1.530 30 10 IDEE Cc1nc(=NC(=O)c2c(Br)nc3n2CCOC3)n(-c2ccc(C#N)cc2)[nH]1 1457648969 HPNCQKLRWKOKRF-UHFFFAOYSA-N 428.250 1.611 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nc1 1460955972 BHBDUNWXACCYON-ZFWWWQNUSA-N 437.465 1.168 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1471750015 BSLMVGAXORIJHQ-ROUUACIJSA-N 433.530 1.441 30 10 IDEE C=CCN(C(=O)Nc1cccn(Cc2cccc(OC)n2)c1=O)[C@H]1CCS(=O)(=O)C1 1477213730 RBHXMUDLHFCMFV-INIZCTEOSA-N 432.502 1.507 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nccs2)CC1 1507733533 BRMNXWFIXYNMFJ-UHFFFAOYSA-N 443.577 1.667 30 10 IDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)CC1 1507962400 ROVGPGGUEUGXLI-UHFFFAOYSA-N 447.565 1.157 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1508080411 NZKUMORNFGJUJQ-MRXNPFEDSA-N 434.504 1.135 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1508093852 XILHTUCGXPZWLI-SFHVURJKSA-N 438.532 1.587 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1508147479 KSKMRQCKQODWQF-QGZVFWFLSA-N 437.566 1.225 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c(I)c1 1538267998 XKQRYGPSPDFBBM-CJNGLKHVSA-N 441.269 1.981 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)OC)CC1 1539462519 IAGIMXINILBSCZ-OKZBNKHCSA-N 432.569 1.839 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1539631709 MYFWEUMVRZFQMV-KSZLIROESA-N 437.566 1.528 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1539981712 JAUKNNXXACIADC-CVEARBPZSA-N 427.571 1.629 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1540048488 WDBDEKYESQRHQA-INIZCTEOSA-N 432.594 1.610 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1COCCO1 1540198383 IFDFLBTVVHTQGA-OAHLLOKOSA-N 426.477 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540900145 MHGWKVDXKVUPHN-INIZCTEOSA-N 442.545 1.475 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@H](C)C1 1540904123 KSGQHVSYTCUZOW-QLFBSQMISA-N 448.636 1.111 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1541294919 BQSKSJIOEVPPSE-QFIPXVFZSA-N 435.536 1.679 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1548045701 DORAKNZACXEJBA-GOSISDBHSA-N 432.550 1.761 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)C[C@H]1O 1554545047 FMUMUNISXHDQEG-RTBURBONSA-N 435.488 1.382 30 10 IDEE CS(=O)(=O)C1(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 1561528337 CEBLMWYIOAFQPZ-UHFFFAOYSA-N 425.301 1.705 30 10 IDEE N#Cc1cn(CCNC(=O)NCc2cccc(Br)c2Cl)c(=O)nc1O 1564930815 DFDWEQLMXDSGHZ-UHFFFAOYSA-N 426.658 1.736 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(OC)CCOC2)CC1 1588947339 OTBZFINRBQSORN-HSZRJFAPSA-N 438.532 1.035 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1589662908 DQEMQWXSIXTZKK-QGZVFWFLSA-N 442.549 1.607 30 10 IDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1593894422 AUILJFTVMXWPGG-INIZCTEOSA-N 449.968 1.787 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1595523565 YPWLWTJZWSSNNL-UHFFFAOYSA-N 449.563 1.440 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1595788934 KYDWJRCBZTZZSS-CQSZACIVSA-N 444.517 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1595797986 KRYNMBYCMBDBSO-DLBZAZTESA-N 433.534 1.436 30 10 IDEE C=CCSCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1595905141 DUKLFWYYHITBPY-APWZRJJASA-N 444.623 1.863 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1598063299 SJUDHERTTRLZPO-RBUKOAKNSA-N 435.532 1.694 30 10 IDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1598158230 DJECXXPWAMMNJU-APWZRJJASA-N 426.521 1.708 30 10 IDEE C#CCOCCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1608104939 WQCRSZJVGYIDMD-UHFFFAOYSA-N 449.573 1.025 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC(C)(C)C1 1616826736 WMULLBJOSJACNZ-UHFFFAOYSA-N 441.536 1.460 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)C2)CC1=O 1619927382 FPPNIKNYMVXEML-GOSISDBHSA-N 438.532 1.927 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)C1=O 1622074944 WWYXBEAZYMVGOV-GFCCVEGCSA-N 434.287 1.095 30 10 IDEE C#CCN(C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1625359130 BDKZRQAYFYUZMT-MRXNPFEDSA-N 427.592 1.359 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2 1626685221 KRCGWTWAZCLCQL-LRAJWGHMSA-N 431.876 1.603 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1627880104 LXIDMVYXAJNLMD-UHFFFAOYSA-N 443.319 1.506 30 10 IDEE Cc1ccc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1629991744 NUMGKFUDCZLAGW-QHCPKHFHSA-N 441.337 1.745 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)cc1 1631959549 OHHRIAGLSPFYLW-QGZVFWFLSA-N 434.518 1.697 30 10 IDEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccccc1 1636976430 XYHPCUOVEXQAIM-HOLBHBGLSA-N 447.538 1.927 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1637908601 BUSXZUZPNHWGBK-QFIPXVFZSA-N 445.495 1.577 30 10 IDEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1645729918 KFUIYIMCFZTNSM-GFCCVEGCSA-N 434.449 1.541 30 10 IDEE C#CCC1(O)CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)CC1 1651198597 WCXXFGXZIXHQSU-UHFFFAOYSA-N 427.505 1.333 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1652173008 LSSJEIAOOIAYJW-FPOVZHCZSA-N 433.574 1.148 30 10 IDEE O=C(CCCN1C(=O)c2ccccc2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811922 SCYNHYNMRXNNPN-UHFFFAOYSA-N 435.436 1.967 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OC)c2Br)CC1 1660998546 CPYLGTFNNXXDPV-UHFFFAOYSA-N 431.312 1.075 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1684176125 SJCIKSVXBZBXSL-UHFFFAOYSA-N 429.399 1.895 30 10 IDEE N#Cc1c(CCCNC(=O)NC[C@@H](n2cncn2)C(F)(F)F)nn(-c2ccccc2)c1N 1687307379 JGWLHDLOYBDDRI-MRXNPFEDSA-N 447.425 1.953 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1689986607 TWJIPIBBOBQXOG-SFHVURJKSA-N 426.477 1.549 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCC=C)CC1 1690139605 UHUHUQPIHBUAGY-UHFFFAOYSA-N 436.516 1.222 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1690235829 FFWVCKBZVPGAQP-AZUAARDMSA-N 444.580 1.944 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)[C@H](C)CC)CC1 1690375307 GQLVCMZBQCHGLH-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1)C1CC1 1690545623 VOFKZNQAFCXHOH-HNAYVOBHSA-N 425.624 1.772 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1690627712 VAHKRQVRQHISGV-GDBMZVCRSA-N 436.582 1.207 30 10 IDEE C=CCn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1690653060 AJPVGTMEYSZRDS-SVMVAKDDSA-N 435.569 1.872 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1690694949 YGAXKSOKOXFDLY-DLBZAZTESA-N 434.566 1.346 30 10 IDEE CC1(C#N)CCN(c2nnc(CCOc3ccccc3)n2CCCNS(C)(=O)=O)CC1 1692849392 XZPSNDZOYBPTLY-UHFFFAOYSA-N 446.577 1.969 30 10 IDEE Cc1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693516017 MHMXBNFCCUMFGL-ONNQFXDFSA-N 444.442 1.969 30 10 IDEE CCCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1695265239 BIUKNBMCCFBSIY-IRXDYDNUSA-N 425.493 1.580 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695506319 KYDCPFRLTZLTIL-UHFFFAOYSA-N 437.529 1.944 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1705571214 WWOXZIJCHGXNRW-SFHVURJKSA-N 429.546 1.265 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ncc(C)s1 1705628262 BMEQDCPZTSVNPA-HOCLYGCPSA-N 437.591 1.835 30 10 IDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C)c1ccccc1 1705742623 AVTOEFQEFHXMQS-SFHVURJKSA-N 431.562 1.854 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)F)CC1 1705782364 VQLIUVORQQVPBX-OAHLLOKOSA-N 449.524 1.643 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C)C(=O)C2)cc1 1705910924 RWBCCSUTBGQKJA-RXVVDRJESA-N 441.532 1.894 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1706044140 GPBVWGZCUSIVLJ-UHFFFAOYSA-N 433.520 1.839 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cs1 1707755176 GMWCXHYYOATBQF-XLIONFOSSA-N 433.557 1.923 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(COC)c2)CCOC1 1710482502 GHEOWISYNFYSFY-DENIHFKCSA-N 427.505 1.854 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1710990370 QUHKJGIPERRCOX-GOSISDBHSA-N 427.509 1.243 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1722281552 UZIYHVYSKHWFMB-GFCCVEGCSA-N 426.340 1.715 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722307825 BCFCMENLXILFDT-IRXDYDNUSA-N 438.598 1.385 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722332357 JMUDVIFBTPCZDC-VQTJNVASSA-N 428.581 1.718 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccnc1)C(C)C 1722373803 QTTLJQLMZUANKI-MJGOQNOKSA-N 428.562 1.796 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1722413100 HYRXYIVQWKOHDP-LJQANCHMSA-N 447.561 1.322 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](F)COC)CC1 1722444682 DIBRTKQTSCUIKU-KRWDZBQOSA-N 443.479 1.624 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1722502839 WKLZGAFYKGQEGJ-JOCHJYFZSA-N 435.569 1.970 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722517864 ONGIHVNXRIBEOI-KIJUOZEOSA-N 448.549 1.109 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729454971 VMRBAUBWPQQJCZ-DCOQFNDQSA-N 436.463 1.790 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCC[C@@H]1C 1730763373 VPYIFZIKLYXRCB-BTYIYWSLSA-N 430.509 1.923 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(CCCO)CC1 1731217508 GCRBKHZUERURCG-RWNPKEDZSA-N 444.536 1.297 30 10 IDEE C#CCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740597484 UIEYBIUTCHRVRX-JOCHJYFZSA-N 425.537 1.849 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1740685247 CRPWQPAFUZKQKE-LJQANCHMSA-N 437.610 1.388 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1740701978 TUOHGMULFLGZMW-UHFFFAOYSA-N 428.500 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCCS2)CC1 1740704888 VQSNIPSRKMOHGY-SFHVURJKSA-N 427.578 1.930 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740737311 HJNRYOWKYKMLMY-VXGBXAGGSA-N 426.271 1.537 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](COC)C1 1740953466 HAFYNYIIVARNFJ-MRXNPFEDSA-N 447.561 1.514 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740963448 LGEZMIGSWYXDSU-OALUTQOASA-N 438.532 1.715 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1740976823 OOLCCRFMWQQPCE-SFHVURJKSA-N 442.545 1.912 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1740981210 MLKOVYFKOLIAMB-MOPGFXCFSA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(CC)C1 1740994173 JRXHOBOKNLJOAP-HXUWFJFHSA-N 436.582 1.746 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1741001653 ALQCQKCBSVAFCU-MRXNPFEDSA-N 427.596 1.687 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1741129832 ICNXEYMNCIQGNZ-INIZCTEOSA-N 449.515 1.961 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1741131360 FHBXEGVJEZKGIP-KSFYIVLOSA-N 437.552 1.526 30 10 IDEE CC(C)(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1741201670 CIUWGAPZJMMAQL-SFHVURJKSA-N 435.532 1.790 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCS(C)(=O)=O)CCOC1 1741715233 AVAQSFGSAXSLRQ-NRFANRHFSA-N 447.561 1.871 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1747666305 ULDDPHBHXDCWRZ-UHFFFAOYSA-N 435.536 1.929 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1748671884 NVLNJJNNBDVUHS-NVXWUHKLSA-N 425.518 1.267 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2cnnn2C)c1 1748693033 VZAMMNWGHXKRMR-UHFFFAOYSA-N 441.499 1.882 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748820663 GPSVNHLRZZNYJK-QGZVFWFLSA-N 435.594 1.709 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1NC(=O)CC1(C)C 1748920246 GPUBHCYQPPKZNO-INIZCTEOSA-N 443.577 1.612 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C)CN2CCOCC2)CC1 1749010634 UFDUSCIVQAMJLW-SFHVURJKSA-N 428.581 1.480 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)NC)CC1 1749015985 VOQXVASHAQQLIT-UHFFFAOYSA-N 438.532 1.002 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1(C)C 1749196589 PURDOTREOSDOTB-UTKZUKDTSA-N 445.545 1.228 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749199510 UHLDYGKQSCNQNP-LJQANCHMSA-N 443.596 1.500 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749672506 WDNNFQNCLQWAOV-RTBURBONSA-N 429.496 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC 1749734552 KKQBLBMZMCRPRW-OAHLLOKOSA-N 443.570 1.643 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1749791658 NOOYRSRBZPDOQG-CTNGQTDRSA-N 438.532 1.927 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760136233 FGEGLZNJOBWLOP-DLBZAZTESA-N 433.520 1.409 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189545 VHEUQSOZDKBTKU-UFYCRDLUSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760204986 KJYJVZHYOUWALF-LJQANCHMSA-N 445.527 1.084 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1760222670 URASWGMMSJXMLQ-CALCHBBNSA-N 438.536 1.689 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OCC)C1 1760518231 NFZCTOVCTKQNCT-GOSISDBHSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](CN3CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1760528578 HABJHTDAJVQGMY-CVDCTZTESA-N 446.596 1.545 30 10 IDEE CCCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1765899485 BRMDSQUAUUTFLN-IBGZPJMESA-N 440.552 1.998 30 10 IDEE CCN1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1767123418 PCXKVCPCLKNQSF-QQMHEVNUSA-N 436.520 1.397 30 10 IDEE CCOCc1nnc(N2CCCC[C@@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767904064 LKGCQBAHBCVNDE-DVSFIDLUSA-N 432.525 1.594 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1768998471 WRTYYQQRBULWSO-AWEZNQCLSA-N 439.314 1.174 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1770133150 WGDHJQLAQHPXPU-XMSQKQJNSA-N 427.505 1.457 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1771223370 VRVILIPAMRGEHM-DNVCBOLYSA-N 428.493 1.738 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1772567161 QSAKRWLZLAGOGS-QZTJIDSGSA-N 428.541 1.872 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cn(CC3CCC3)nn2)cc1 1851780236 VPIODVSWQKEFID-FQEVSTJZSA-N 425.489 1.886 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(CCC#N)CC1 1852649250 FTVFWCUQLIJLLW-CYBMUJFWSA-N 429.340 1.174 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2noc3ccc(Cl)cc23)C1=O 1854175325 MSJBPGBZHCEGRZ-IRXDYDNUSA-N 430.892 1.870 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)C1 1855320424 JOXJMXJYROSBOR-CYBMUJFWSA-N 431.967 1.659 30 10 IDEE C[C@@H](C(=O)O)n1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C(=O)O 1857884205 IAFMDSVZRRARON-VIFPVBQESA-N 431.426 1.631 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858976617 XULRWYRATUIIQU-UHFFFAOYSA-N 432.458 1.741 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)cc1OC 1870095772 VBIQCMMJWQNIIO-UHFFFAOYSA-N 444.429 1.924 30 10 IDEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870110844 KYNGRXZPHBZSBA-UHFFFAOYSA-N 445.395 1.649 30 10 IDEE C=CCOc1ccccc1OCC(=O)NCCNS(=O)(=O)c1cccc2nsnc12 1873692564 MJKOAKKQJBYEGO-UHFFFAOYSA-N 448.526 1.730 30 10 IDEE COc1cc(/C=N/n2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)ccc1O 1874295012 FLESZXSEXAJXKE-UFFVCSGVSA-N 442.457 1.951 30 10 IDEE COc1cc(/C=N/n2c(C)nnc2SCCCO)ccc1OCCN1CCOCC1 1874532992 MRDROGUAEPVGDE-RCCKNPSSSA-N 435.550 1.663 30 10 IDEE N#C[C@](N)(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)C1(Br)CC1 2025906992 SMCJNGNZGLBHGR-IBGZPJMESA-N 428.290 1.870 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060622614 BVHUHOBDHDXWCU-KRWDZBQOSA-N 434.342 1.530 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1sccc1C#CCO 2089699417 WIVUQHXIMBFWPL-UHFFFAOYSA-N 432.523 1.588 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124539652 XYMFTDGHAXLCPY-NRFANRHFSA-N 448.329 1.740 30 10 IDEE CN(Cc1ccc(C#CCCO)s1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2156989573 LXLIYWHFUUTQPB-UHFFFAOYSA-N 446.550 1.930 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CN)c1nn(C)nc1Br 2194763258 WCYAQRLPTRLLRQ-CQSZACIVSA-N 441.374 1.912 30 10 IDEE C[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C(=O)OC(C)(C)C)C1CC1 2248403913 IZMMERUJWCRCDI-LLVKDONJSA-N 438.359 1.986 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248412562 LPDAXPLSSBYNPS-WFASDCNBSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630611 MQJOQLJPNKTMPI-UHFFFAOYSA-N 438.334 1.058 30 10 IDEE Cn1nc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2255838983 OMZCXPDIXCBGSG-KRWDZBQOSA-N 430.236 1.002 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864397 VPOOWEWLZWJOFJ-DGCLKSJQSA-N 429.248 1.843 30 10 IDEE CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2255874224 RXNIVZOXDZRMOM-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2256062149 QRBHLEOPGLDZOT-KGLIPLIRSA-N 430.314 1.610 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCc2nnc(Br)n2C)C1 2266533480 BJWGUECPIMRUDV-UHFFFAOYSA-N 426.315 1.543 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267267475 KFEYAJPEIJFLST-CQSZACIVSA-N 448.329 1.142 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C 2267280378 OWESHWDBQANAGM-MELADBBJSA-N 447.345 1.100 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CCOC[C@H]3OCc3ccccc3)nc2)OC1(C)C 2267549213 XYOSSVXZAYOJPF-RBUKOAKNSA-N 439.321 1.880 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CC1 2267806182 TUMYLOJEYQTVDV-UHFFFAOYSA-N 447.341 1.889 30 10 IDEE COc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1 59887700 HEQTUWZIRBODKB-KEBDBYFISA-N 444.521 1.796 30 10 IDEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccccn1 102757066 FLGWVXJLRRXPGB-HQMFNGAOSA-N 436.468 1.900 30 10 IDEE COc1ccccc1CN1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@@H]21 254824685 JDLUBAPAJFFQFJ-ZFWWWQNUSA-N 426.516 1.547 30 10 IDEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCN(c2cnccn2)CC1 434738707 OXYNTQBCBMJHGC-IBGZPJMESA-N 439.589 1.848 30 10 IDEE COc1cc(OC)c(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)c1 464824852 BMGXXQNWZRUCLL-CQSZACIVSA-N 426.477 1.794 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 474027500 CZFSZRHYRIWSBH-UHFFFAOYSA-N 442.522 1.802 30 10 IDEE C=CCNC(=O)CN1CCN(c2c(C(=O)OCC)cnc3cc4c(cc23)OCO4)CC1 481681528 DWGWVDHSPVLENJ-UHFFFAOYSA-N 426.473 1.564 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1C 491595638 CCUFQMNQBCIUFQ-UHFFFAOYSA-N 442.566 1.411 30 10 IDEE COC(=O)C(C)(C)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 494449874 JPAYPRKSDRVXRL-KRWDZBQOSA-N 433.578 1.026 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 503642862 NADOYHVCSUMBRV-INIZCTEOSA-N 433.306 1.638 30 10 IDEE C=CCNC(=O)CN1CCN(CCc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)CC1 533215999 RESRPJATVRTUIK-OAHLLOKOSA-N 428.606 1.861 30 10 IDEE COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1OC 544875130 SQYUOJBNRABORZ-LJQANCHMSA-N 449.511 1.463 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ncccc3C)n2C[C@H]2CCOC2)CC1 559241945 PHRDJVDACKZHIW-GOSISDBHSA-N 425.537 1.109 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)n1 577453388 RBCGVAYWGGVGIF-UHFFFAOYSA-N 434.521 1.389 30 10 IDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CC(=O)O)Cc1cccc(C#N)c1 586149785 FNQUXRJMUIBZRR-UHFFFAOYSA-N 443.481 1.969 30 10 IDEE CCOCCOCCOC(=O)C[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CCCC2 586349844 OPJGGLKZOPVYDD-LJAQVGFWSA-N 442.559 1.782 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@@H]1CCCO1 610929011 KDCXKFWSHYZOJH-ZDUSSCGKSA-N 437.974 1.833 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 611405976 VMJNHPPRXVZDCG-UHFFFAOYSA-N 435.357 1.714 30 10 IDEE C#CCN(C(=O)CS(=O)(=O)Cc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 729333960 DMHGWNVYXSNVIX-OAHLLOKOSA-N 448.360 1.013 30 10 IDEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCNC(C)=O 730140476 WWXIVGFXXHVNMT-GOSISDBHSA-N 433.578 1.385 30 10 IDEE COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707267 YPRRNOCDLQXCHD-QGZVFWFLSA-N 425.489 1.068 30 10 IDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 736587451 MWCTXVIFIFYPRW-HNNXBMFYSA-N 444.582 1.288 30 10 IDEE CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(OC)c(C#N)c1)CC2 747497718 JNIYLTGYNFQGDE-UHFFFAOYSA-N 442.497 1.071 30 10 IDEE CCOC(=O)[C@H](CC1CC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 752382435 IMLOANLTFUDPOE-IBGZPJMESA-N 433.530 1.807 30 10 IDEE C#CCN(C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 753359952 BPWOWCYRBYAEPG-MRXNPFEDSA-N 427.567 1.856 30 10 IDEE CCc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754350612 KSRZECPFUQQODR-LBPRGKRZSA-N 435.440 1.250 30 10 IDEE C=C(COC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C(=O)OCC 771409701 CXVWYHAPYDHGCQ-GOSISDBHSA-N 439.262 1.879 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1=O 771414248 YXUUXZAMABBWGQ-FDDCHVKYSA-N 441.532 1.463 30 10 IDEE C[C@H](CC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1)/N=C1/NS(=O)(=O)c2ccccc21 772240260 BJMBIWIFDBQDMG-HIFRSBDPSA-N 426.498 1.746 30 10 IDEE CCc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)c1 782674774 VHOJQRFJELECOD-UHFFFAOYSA-N 440.326 1.984 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](O)c2ccccc2)cc1Br 788443110 SQPHXGROHMKMIN-HUUCEWRRSA-N 425.260 1.786 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)n1 788577686 OUBKRDXMUKNRFT-UHFFFAOYSA-N 439.516 1.978 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)NCCOC)CC2)CCCN1C(=O)OC(C)(C)C 790227115 DDFMBPWHSZDCCW-QFIPXVFZSA-N 438.569 1.239 30 10 IDEE C[C@@H](C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)n1cnc(C#N)n1 801086358 KCPHQSISOLXWQG-QWHCGFSZSA-N 445.446 1.311 30 10 IDEE C=C(C)CN1CCC(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 803748592 APEFHNBGCDBYBG-UHFFFAOYSA-N 443.592 1.090 30 10 IDEE C[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 1235234679 HCMOVSYVXWFGJH-MRXNPFEDSA-N 427.530 1.992 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC(C)(C)O)c1 1286307735 AJJNWNSNSBZMST-UHFFFAOYSA-N 426.521 1.634 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1286392151 AYFPZLVRYXUPND-DLBZAZTESA-N 430.530 1.618 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1286526725 XBSJHIIVFQTAFL-DYESRHJHSA-N 442.545 1.200 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1286549603 YGAAKRYJLQJHFZ-MSOLQXFVSA-N 444.580 1.846 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1286582161 SGJPZUXPLGLECL-MSOLQXFVSA-N 441.598 1.973 30 10 IDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286708094 PMMNTVMURGYMDA-UHFFFAOYSA-N 440.957 1.668 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286779805 MWFJRLJUCCTTFA-YLJYHZDGSA-N 440.548 1.413 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286785881 SOVNMFMBADQIDG-MRXNPFEDSA-N 449.519 1.040 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1286807323 BETILIIYYGYBBQ-RTBURBONSA-N 438.532 1.369 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCOCC2)C1 1286811756 HTZAENCVWYXLRI-PMACEKPBSA-N 446.596 1.539 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1288528785 BTVOMEANYPSTPX-KGLIPLIRSA-N 436.563 1.443 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1288975913 SFTNWAICMSORIV-HTAPYJJXSA-N 432.488 1.935 30 10 IDEE Cn1ncc(C(F)(F)F)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290636647 QPLXWIPQZOZPCT-UHFFFAOYSA-N 427.408 1.457 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(F)(F)Br 1290865999 ZTDDMIZPZOBJKO-JTQLQIEISA-N 427.257 1.951 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2sccc2S(N)(=O)=O)c1 1291629907 YFPOPZNDIIKVKS-RGEXLXHISA-N 442.544 1.461 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2N(C(=O)OCc3ccccc3)CC2(C)C)CC1 1292889989 SDIMUZCZOSLOBB-NRFANRHFSA-N 440.544 1.317 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCN(C)C2CCN(C)CC2)s1 1292959228 XGOXCMJMXFUEEY-UHFFFAOYSA-N 428.624 1.239 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1297309817 LWKGXEAHRJJOPL-HUUCEWRRSA-N 432.447 1.197 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1298098375 WTZNCVUVQQDKRR-LJQANCHMSA-N 443.577 1.383 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1300393049 AKAAUPOTAPLWTC-UHFFFAOYSA-N 435.532 1.115 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1300506373 RGUGSAACWHWPOC-OALUTQOASA-N 449.559 1.886 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1300512950 OPEGJVVZMJXKNZ-REWPJTCUSA-N 429.565 1.360 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1300538365 PBFLYRSXXCRGRN-LJQANCHMSA-N 449.540 1.395 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[S@@](=O)C(C)(C)C 1300545416 OZXRXUDOSWXYEG-GDLZYMKVSA-N 431.587 1.890 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](CC)N2CCCC2)CC1 1300710585 HTUKZQNHONWFHI-HBMCJLEFSA-N 430.597 1.632 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NCC)c2)CC1 1301065208 CAFVYZRFIUELMO-INIZCTEOSA-N 446.577 1.843 30 10 IDEE C=CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301209376 RSMVIDQRVFHXHA-AWEZNQCLSA-N 432.887 1.851 30 10 IDEE N#Cc1cn(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)nc1O 1301210613 AYGQIGQVDHSDSG-CQSZACIVSA-N 429.864 1.143 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301491737 WUCQXIOMCBJEQH-UHFFFAOYSA-N 437.548 1.871 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCSCC1 1301496876 JJYREXOYBBYORE-UHFFFAOYSA-N 439.545 1.530 30 10 IDEE COCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1301690935 KYCDODOHNRSPRI-FBMGVBCBSA-N 431.884 1.603 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)CC1 1303011098 COUMZOOGGXPHNA-INIZCTEOSA-N 446.533 1.220 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1303557484 SFOIHGXJMVCMHV-QGZVFWFLSA-N 435.546 1.120 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCC(=O)NC3CCCCC3)CC2)c1C#N 1304730487 FLAJUCZOFUFNMK-UHFFFAOYSA-N 439.568 1.666 30 10 IDEE C[N+](C)=c1ccn(/C(C(=S)NCCS(C)(=O)=O)=C(/O)c2ccc(C#N)cc2)cc1 1325489607 KZNRGWZMANYHRI-UHFFFAOYSA-O 431.563 1.237 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(Cl)cc1 1358937759 GXCDJWJFNNYMEF-XJKSGUPXSA-N 425.942 1.999 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1358959774 PLVOWLOSYHUKPD-HNNXBMFYSA-N 446.529 1.114 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1358984914 KITWRQAGLHCIMQ-OAHLLOKOSA-N 430.534 1.266 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)NC(C)C 1359017316 ZWCNEVMUJPDUBI-SFHVURJKSA-N 449.552 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)C(C)C)CC1 1359043824 KIWFAHMVRJABHB-UHFFFAOYSA-N 437.548 1.468 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1 1359090195 WNXNSTXDTYBXGH-RBUKOAKNSA-N 432.569 1.264 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359140436 ATMQGGKQWHTDFV-UHFFFAOYSA-N 444.927 1.087 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@@H]1C 1359257842 XURLUAUKADVBFS-FVJLSDCUSA-N 449.577 1.621 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C)C1 1359327633 GYMODKIEOUAQJS-OAHLLOKOSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)S[C@H](C)C1 1359334725 ORUSLKGUOFAZNL-GASCZTMLSA-N 427.596 1.332 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359343387 RWVSRJVGCQYXIL-GPMSIDNRSA-N 442.607 1.484 30 10 IDEE CC(C)CO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1360056155 AYTNXJSOCKYZGX-HOCLYGCPSA-N 436.538 1.653 30 10 IDEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 1436556195 CJKJHJURPZLTAO-HXUWFJFHSA-N 430.530 1.945 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1443044532 CMVNGBHDEJCETA-GOSISDBHSA-N 433.557 1.889 30 10 IDEE Cc1c(C(=O)NCC#CCO)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 1448443125 UKHCWIGNWRBWIB-UHFFFAOYSA-N 433.487 1.999 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCS(=O)(=O)C1CCOCC1 1449884176 TWUFRHXKPLNGHR-INIZCTEOSA-N 431.555 1.674 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 1466372982 GFYMQJKTILVVCS-DEOSSOPVSA-N 431.536 1.979 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 1469729330 KXUGTJPRQLGSSL-XUVXKRRUSA-N 443.548 1.811 30 10 IDEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1471984029 NKDYDGAKBKYPGP-SFHVURJKSA-N 427.530 1.897 30 10 IDEE COC(=O)C1=C(Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)N(C)C(=O)N[C@@H]1c1ccccc1 1473072526 CBWVYGLNABGVKH-LJQANCHMSA-N 449.467 1.348 30 10 IDEE Cc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)c1 1492471121 FYTOKKLAHYASAR-UHFFFAOYSA-N 435.532 1.993 30 10 IDEE CCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1502291815 HYMUUQMRURQMIQ-SQGPQFPESA-N 437.614 1.893 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503708981 OLGNJGUBQCYRMV-OBAOGOGRSA-N 437.504 1.290 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2CC(F)(F)F)cc1 1505316341 XZYWWCQBFJFJOW-UHFFFAOYSA-N 447.421 1.306 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1507589246 VLEXGSNRSOCZSM-DOTOQJQBSA-N 447.565 1.168 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CC(=O)N1CCOCC1 1507700584 RNYOQNFLOHJWSQ-UHFFFAOYSA-N 436.491 1.921 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1507717156 ZGQFHAWTMXJLMT-AZUAARDMSA-N 435.532 1.662 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1507720671 IINRFCRPECTPCU-UHFFFAOYSA-N 433.965 1.931 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCN(CC)CC2)CC1 1507723390 GSEBXCXGYRMQGS-UHFFFAOYSA-N 436.608 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1507734583 PCWMURYHURDGAO-UHFFFAOYSA-N 443.515 1.452 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507844533 LFIHZCXWZBPETB-SFHVURJKSA-N 447.561 1.508 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1508059412 SZILIDZJUKIEPG-SFHVURJKSA-N 436.626 1.361 30 10 IDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508062059 ZWMJGUYPHZNCKI-UHFFFAOYSA-N 444.486 1.604 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508137910 SUOWXJLUJPZJKA-MRXNPFEDSA-N 429.550 1.677 30 10 IDEE Cc1noc(C)c1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1511929321 HPGNTKDYBAPLSR-UHFFFAOYSA-N 443.533 1.650 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1513359328 YWCREVLQJVAVAU-MRXNPFEDSA-N 439.520 1.911 30 10 IDEE CO[C@@H](CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1517806971 ZKJHUGSNZDQYSX-GJZGRUSLSA-N 427.431 1.836 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2F)CCO1 1521128922 HJERHHBKMZHTBG-SJORKVTESA-N 433.509 1.681 30 10 IDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1c2ccccc2C[C@H]1C 1533140051 PANZRVHRBXCLCY-KGLIPLIRSA-N 426.498 1.208 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1539266216 NTWNAVSMKQERTB-LJQANCHMSA-N 438.557 1.297 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(OC)c(F)c2)CC1 1539430730 MRLZAUXNYXVYDG-KRWDZBQOSA-N 431.512 1.953 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc(C)cc2)CC1 1539431121 PCBMFUNAEAFVAO-SFHVURJKSA-N 446.577 1.031 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(C)c2)CC1 1539487921 BGMHLUDWHIRDEI-UHFFFAOYSA-N 447.543 1.913 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539798449 HSIIGVWXVBEWCG-AEFFLSMTSA-N 443.939 1.330 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540871055 CCMOHBFHOHJXCJ-HOTGVXAUSA-N 434.541 1.578 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876067 GPPKGRFVUJPBGQ-QHCPKHFHSA-N 446.596 1.686 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)C1 1540881746 RLTKZDYJOYIWDH-PXNSSMCTSA-N 427.505 1.551 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1540886796 JRDLSKJUWGNLED-RXVVDRJESA-N 448.545 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540900486 XASCTDKYMDGUQD-QGZVFWFLSA-N 429.546 1.665 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1541089557 AZWALRYAXGVRMP-HXUWFJFHSA-N 433.516 1.921 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)s1 1542356724 VCUXLWIGQMJIOZ-IXDOHACOSA-N 441.619 1.855 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)N(C)C)cs1 1542912604 SYOPPSVSZFRHKT-UHFFFAOYSA-N 437.595 1.655 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543492365 NQIXNSZQUIOYJM-UFOSLELVSA-N 427.509 1.129 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1545692201 PQTLRHIZYTUOAK-INIZCTEOSA-N 435.532 1.933 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C[C@H]1N1CCOCC1 1546731392 AECVHORWARTKNR-UYAOXDASSA-N 437.548 1.500 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC#N 1548335293 POBSDXVBECNUJJ-HNNXBMFYSA-N 448.549 1.784 30 10 IDEE CCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NCCOC)C1 1548368134 WZOKOIBJFOIGRN-KRWDZBQOSA-N 442.438 1.393 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)n(C)c1C(=O)NCCO 1556495689 NMJAPYRJXXTOFQ-GFCCVEGCSA-N 429.905 1.425 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)CC1 1558073675 XDKUTAOSDXEBCC-UHFFFAOYSA-N 441.435 1.117 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1558329541 RWXKHRGJKXWXIR-UTKZUKDTSA-N 449.573 1.365 30 10 IDEE CCc1ccc(C#CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1558653706 CQCBBSCDZYOYNZ-MOPGFXCFSA-N 432.542 1.845 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)C1CCOCC1 1565106835 YCAORCHDDZKUJM-OALUTQOASA-N 448.564 1.668 30 10 IDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)CC1 1585050320 ZNMPKQPZDWGBPM-YVMONPNESA-N 430.524 1.105 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOC(C)(C)C)CC1 1588864971 NQPMNXCNBYDYDL-UHFFFAOYSA-N 430.578 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2cccc(C(=O)NC)c2)CC1 1588954316 FIMVEEBKYFCIHZ-UHFFFAOYSA-N 448.571 1.799 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C)[C@H](CC(=O)OC)C1 1596383786 FHODUCOTGIGIGY-BFYDXBDKSA-N 435.546 1.942 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)C1 1611767688 RAMRZZBIFBMWFG-KSSFIOAISA-N 431.509 1.982 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)C[C@H]1CS(=O)(=O)C2 1617487371 OBCKNUHMAYGTDN-XOBRGWDASA-N 432.429 1.368 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1619988981 UKXZTLGCRLQQIM-DOTOQJQBSA-N 425.555 1.567 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1624817550 SGZSTNVRSZGMNZ-XLIONFOSSA-N 440.481 1.903 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N[C@@H]3CCCN(O)C3=O)c2C(F)F)C1 1625082985 ZCXBAOJQJHFTFL-GHMZBOCLSA-N 444.439 1.508 30 10 IDEE C=CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)[C@@H]1CCS(=O)(=O)C1 1627334677 KAANRDAIJIONDY-OLZOCXBDSA-N 425.498 1.920 30 10 IDEE CN1C(=O)NC2(CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)C1=O 1629690243 OJWIRIBINWHUHC-UHFFFAOYSA-N 446.305 1.300 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC#CCN(C)C)n2CC 1631848735 CHAOCINQJPXHFP-UHFFFAOYSA-N 447.605 1.701 30 10 IDEE C[C@H](CC(=O)NCc1nc(-c2ccccc2)no1)/N=C1/NS(=O)(=O)c2ccccc21 1633728400 BTKXHMCPUYPJFK-CYBMUJFWSA-N 425.470 1.870 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)c1 1634021320 KQHNYOZDGRXRMO-OAQYLSRUSA-N 440.569 1.144 30 10 IDEE N#Cc1csc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)n1 1639619621 UWYUXADVIUCTOS-CYBMUJFWSA-N 440.572 1.932 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C(=O)OC)Oc3cc(F)ccc32)cc1 1639643624 DRWFVPXGUGLMDD-GOSISDBHSA-N 432.429 1.318 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)c1 1644716620 FBAWXJKMHASTML-KRWDZBQOSA-N 428.514 1.686 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1647808249 SXVIRODNNXUCMR-MRXNPFEDSA-N 426.560 1.443 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1653057695 LEHFEKJNWPTCLI-CQSZACIVSA-N 437.497 1.457 30 10 IDEE Cc1ccc(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1C#N 1685107471 YIAVTODIUQHOIQ-UHFFFAOYSA-N 433.456 1.527 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1689978381 UGJUVLZEYGMZSX-INIZCTEOSA-N 430.534 1.598 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1690095990 KWLUCVKJJODVIU-LJQANCHMSA-N 427.530 1.870 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690672791 DCNHJFNDQPWIHJ-UHFFFAOYSA-N 436.438 1.914 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)N2CCOCC2)C1 1690695021 ZSXVPFJXDQVRSU-KRWDZBQOSA-N 427.505 1.594 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1690723487 TVJAJBRZKRFJMY-DOTOQJQBSA-N 445.545 1.618 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1692501679 KVVUDLNWJVUKCU-HOCLYGCPSA-N 429.500 1.638 30 10 IDEE C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1692703171 GINIPMQNBLSJLS-SFHVURJKSA-N 431.548 1.879 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CSc2ccccc21 1692799202 GIJFOBIOONQKLU-SOUVJXGZSA-N 448.574 1.507 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCS(C)(=O)=O 1694127003 IGDZSYIRKSEXGY-MRXNPFEDSA-N 431.566 1.820 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1698188493 CFDNBFNZHJKCLW-NVXWUHKLSA-N 448.549 1.387 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705532344 MEVVBWBHLHIEHP-SFHVURJKSA-N 439.545 1.187 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(N(C)C)CCSC1 1705544996 LLCCRLGLMUIVSV-FQEVSTJZSA-N 433.603 1.855 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(CN2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1705561585 RQDDMJTUPOKGCQ-FQEVSTJZSA-N 441.557 1.384 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1705563935 IAFWWZJZMNBDCO-KRWDZBQOSA-N 429.546 1.784 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705609815 RQGWCPUTCIGQHA-MRXNPFEDSA-N 445.545 1.457 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)SC)CC1 1705636633 RPCKAGGHUIURAA-UHFFFAOYSA-N 437.577 1.818 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)CC1 1705637987 UAMNEJGXZGWHJM-UHFFFAOYSA-N 442.568 1.739 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705899561 XMOQLAIKRXGYJK-NVXWUHKLSA-N 443.504 1.259 30 10 IDEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCNS(C)(=O)=O 1706314706 HTJPURHNTKUNDL-UHFFFAOYSA-N 435.529 1.288 30 10 IDEE CCc1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709085661 ODEGIWDTDNXJLN-MRCUWXFGSA-N 438.536 1.788 30 10 IDEE N#Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1712880717 GCBGSAZGZPYGCQ-UHFFFAOYSA-N 441.879 1.977 30 10 IDEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712885352 IRJWXHDMRGSHCW-QURGRASLSA-N 446.515 1.920 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1722316611 KGWHDUYWSYUFST-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722342221 UQCOXSDERALVEA-OTWHNJEPSA-N 431.537 1.243 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1722368607 SEKUJYBVOVYMLE-FJIDUMEYSA-N 433.578 1.682 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC(F)F)c1 1722419203 RPODDOPLTCNYKF-UHFFFAOYSA-N 434.447 1.645 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1722432570 YHQHFCQPGKUDRE-RTWAWAEBSA-N 432.613 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCOCC(F)F)CC1 1722433590 BBEXPNPPTJTDQN-UHFFFAOYSA-N 435.475 1.999 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722526148 PXCFRJWIYHQADR-UFYCRDLUSA-N 446.596 1.711 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1722678834 FEUCJWFSMPJABT-UHFFFAOYSA-N 446.371 1.730 30 10 IDEE CN(C)C(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1729308600 SFDLDMLHPIUYGN-LRAJWGHMSA-N 449.531 1.969 30 10 IDEE CN(C)CCOCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729342129 YTEUQZRDLUXFPL-IBGZPJMESA-N 429.594 1.685 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c(OC)c1 1730091818 YJYKYGBJHKPJNG-BTYIYWSLSA-N 426.477 1.169 30 10 IDEE COCCOCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1730915736 XCMMUGHSYGAKQO-QGZVFWFLSA-N 449.533 1.130 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740622300 BNDOGBQSYZLYPH-SONOPUAISA-N 446.598 1.709 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)F 1740725593 NWTYGIFYLCCDKM-WOJBJXKFSA-N 425.480 1.692 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740808180 BAMIMRNSYRPEGH-OAHLLOKOSA-N 425.946 1.435 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740884429 AOSMSBFSFDLJNX-NQIIRXRSSA-N 441.580 1.855 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1740887577 DHTQREKEZMPTKH-QFBILLFUSA-N 427.571 1.488 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1740940640 NRIIUTIABIHZKG-CQSZACIVSA-N 438.330 1.527 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740960948 HAZCSJAXKKRNBU-QGZVFWFLSA-N 435.525 1.324 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964348 BDRBIGRZTGHQDW-DYESRHJHSA-N 444.540 1.054 30 10 IDEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740999057 WZOLPCOYZLHCEL-CQSZACIVSA-N 447.952 1.060 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1Cc1ccc(C#N)o1 1744107481 DHYMHYXKRNPYJK-DYVFJYSZSA-N 441.492 1.644 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(C)COC2)c1 1748694739 MVPCCESOOSLDNB-UHFFFAOYSA-N 436.516 1.493 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1748803196 VUQOGKGNWBIOOI-SJORKVTESA-N 430.578 1.661 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2cccc(C)c2)CC1 1748984731 YSNZQVPHBKSLIS-UHFFFAOYSA-N 431.544 1.777 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1749033587 JFQJSDYGURHMLJ-AWEZNQCLSA-N 437.529 1.627 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1c(C)noc1C 1749666078 GGKIFJXMOYABQQ-UHFFFAOYSA-N 427.465 1.549 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1749678063 UVQWKEWKBQVPQB-UHFFFAOYSA-N 439.520 1.086 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1CSC 1749738684 UUDRJFKPSXPGFI-HNNXBMFYSA-N 427.596 1.333 30 10 IDEE CC(C)Cc1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1/N=CC=CC1=O 1750724228 IRYSMFLDYJZENT-FZXCKPRWSA-N 428.537 1.600 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1760206501 BNQPMBVPAAVLEH-KRWDZBQOSA-N 426.546 1.063 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2([S@@](C)=O)CCC2)CC1 1760261289 NHUHGDSXZXGZBT-WJOKGBTCSA-N 441.601 1.956 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760324252 JFUNALLGDBGHAJ-QFBILLFUSA-N 441.598 1.656 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760373715 AOVXTEXKGQNCCW-QZTJIDSGSA-N 430.940 1.883 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760524622 DNTKISHZEMMELX-IBGZPJMESA-N 445.589 1.883 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1763950700 CRCJXZHGOKZXSU-NQIIRXRSSA-N 445.545 1.372 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1765351355 CEPJHHPHBFMECP-GJZGRUSLSA-N 442.549 1.734 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1766959311 IVEPLZXHWPZYSY-JLUOLNIDSA-N 433.472 1.568 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1767251910 GWWQWDDYYUNKFS-SFHVURJKSA-N 441.517 1.680 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1 1767331847 GQUONQOBBBGCRL-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1768445412 PCJLABRKWUZGHA-QQMHEVNUSA-N 438.488 1.705 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1768980849 PMVWVIQHWFBBAJ-QVKFZJNVSA-N 426.477 1.073 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1770343966 QPWGBFDTYISUAS-OAHLLOKOSA-N 434.522 1.157 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)c2cn([C@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C1 1848824493 ZFWBHLGNQVVOAU-LBPRGKRZSA-N 449.393 1.174 30 10 IDEE Cn1ncc(N2CCC[C@@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)C2)cc1=O 1852054578 NCXLZYLRNSSWIN-GFCCVEGCSA-N 449.455 1.257 30 10 IDEE C=CCN(C(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)[C@H]1CCN(C)C1=O 1852959439 DWIGECNFQIRECG-SFHVURJKSA-N 428.514 1.522 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCC(=O)N2CCOCC2)c2ccc(C)n2C)c(C)c1 1853419692 WQILLUDIUZQRNK-UHFFFAOYSA-N 448.545 1.466 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(O)c2)cc1 1862689760 YYJHDCXFWFWWSP-IBGZPJMESA-N 426.425 1.821 30 10 IDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110860 LVBIPYMETTYZHF-UHFFFAOYSA-N 445.395 1.731 30 10 IDEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870557781 GCXIESMEAKZSPM-UHFFFAOYSA-N 429.473 1.690 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873561301 KFIMVINGUVRAPC-UHFFFAOYSA-N 441.536 1.283 30 10 IDEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873596254 OIJUCHMNOQUUEY-UHFFFAOYSA-N 428.537 1.568 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874275181 YNSWBJNCTKQVBQ-IKDHMPEHSA-N 444.517 1.550 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2131402505 GSGMKNFQENMBEG-HIFRSBDPSA-N 448.329 1.644 30 10 IDEE C=C(CS(=O)(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247903112 DULSGURHTKGEHW-CQSZACIVSA-N 446.375 1.464 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2247906990 UEFNUSXZPHTMCT-UHFFFAOYSA-N 429.351 1.419 30 10 IDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2248404604 NNHXKYNMBXOQPS-OAHLLOKOSA-N 440.371 1.891 30 10 IDEE C=C(CN(C)C(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2248434207 VRYTUOBTEIEKEB-CQSZACIVSA-N 428.310 1.952 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2255624582 GMNULCFCVYGOBC-KBPBESRZSA-N 434.346 1.847 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1CNC(=O)OC(C)(C)C 2255627143 OIYNJIGMAHWDBJ-ZIAGYGMSSA-N 434.346 1.942 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 2255653973 QENGBMMOMMYWKP-OKILXGFUSA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255694663 RKGWECNAIMYKHX-NRFANRHFSA-N 435.330 1.386 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255829704 UCFQPDRQBLDEMW-NFAWXSAZSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CO1 2255953506 JTCIRBGAUYILJG-CQSZACIVSA-N 434.298 1.972 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)n1 2267113233 QSRGQOAOEQOERO-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC(O)C1 2268721730 PGGAKRNZFPNHJA-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2272632080 CNOKVFJXZGTPGW-YEJXKQKISA-N 447.345 1.101 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2329013359 ANYYYMFIMBLJOA-CYBMUJFWSA-N 431.478 1.370 30 10 IDEE C=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 104617603 HUAQNUUPNQDLST-UHFFFAOYSA-N 435.546 1.895 30 10 IDEE N#Cc1ccccc1[C@@H]1N[C@](CC(=O)O)(C(=O)O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 247637383 FEBOXQZYFXIFEO-XUJKJYMVSA-N 447.447 1.345 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 409786442 IRIYROCGKVJGPP-RISCZKNCSA-N 436.353 1.317 30 10 IDEE CCO[C@@H]1C[C@@](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)(C(=O)OC)C1(C)C 440858766 JRBDMKZBMRETGL-GQWAEJPESA-N 437.518 1.088 30 10 IDEE CC(C)(C)c1nnc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)s1 446190703 DMRCZMHUAMAJSU-UHFFFAOYSA-N 428.518 2.547 30 10 IDEE COc1ccc(-n2cc(CNC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)nn2)cc1 446532765 RLLGYPZUMKJNLT-UHFFFAOYSA-N 440.485 1.316 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1C[C@H]1CCCO1 463797443 QHJVJYCGPIAFBR-QGZVFWFLSA-N 443.956 1.856 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)c1 466500839 ZSILNJAZQNZPQU-QFIPXVFZSA-N 438.509 1.528 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccccc1C#N 478851244 UWEAPWIBCALAHJ-UHFFFAOYSA-N 446.536 1.576 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488671020 LAGSJWZZFQHNOI-UHFFFAOYSA-N 438.506 1.116 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1C#N 489682547 WEVHCTDAUHWBER-UHFFFAOYSA-N 433.921 1.860 30 10 IDEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508690321 WQOSGMBMNMRDCL-UHFFFAOYSA-N 432.506 1.981 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(c2cccnn2)CC1 508840747 MPNUGCQATMRVNI-UHFFFAOYSA-N 429.488 1.495 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)CC3)CC1 513595741 RNZDOKMEOXCTGM-QGZVFWFLSA-N 449.559 1.201 30 10 IDEE C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 521133002 CLJLHHXAMRWDET-GUDVDZBRSA-N 434.558 1.977 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@H]1CCCO1 530315542 SQXQECYLKNTTCX-MRXNPFEDSA-N 445.491 1.808 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 732152945 HXOBDVBYGQBGKZ-CZIZESTLSA-N 432.502 1.117 30 10 IDEE CCc1cnc(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 742712032 DHPNTOGGNMVZFF-AWEZNQCLSA-N 447.586 1.871 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(Oc3cnccn3)cc2)c(=O)n1C[C@@H]1CCCO1 743728036 FTZPFZMLNDTOIV-SFHVURJKSA-N 431.477 1.698 30 10 IDEE N#CCc1ccc(NC(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 746744284 HUWOZJOWKLJPJY-JOCHJYFZSA-N 446.463 1.710 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC[C@@H](C)CS(C)(=O)=O 757971281 CJUDNIZJSBXVRS-HIFRSBDPSA-N 430.548 1.508 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccccc2OCC(F)(F)F)c1=O 758060683 IHZLNWUSDIAEPV-UHFFFAOYSA-N 449.454 1.513 30 10 IDEE COc1cccc(/C=C(\C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)n2nnnc2C)c1 760405057 DUESFVBLZOXEKA-LDADJPATSA-N 444.517 1.908 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CC2)n1 761039025 VPMUZVRTWHAVOV-UHFFFAOYSA-N 447.467 1.635 30 10 IDEE Cn1nc(Br)cc1C=c1sc(=C(C#N)C#N)n(Cc2ccccc2)c1=O 782628657 XQJBNLCUMVBVCI-UHFFFAOYSA-N 426.299 1.481 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 790686259 CEQVMFYZEIEDNW-SBUREZEXSA-N 441.484 1.795 30 10 IDEE O[C@H](C[C@@H]1COCCN1CC#CCN1CCOC[C@H]1C[C@@H](O)c1ccco1)c1ccco1 792872804 PORPAFRCSSOYKI-GXRSIYKFSA-N 444.528 1.825 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 803697607 LJCICFXOHIZHCY-UHFFFAOYSA-N 438.452 1.004 30 10 IDEE C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 805756314 YCORUDMYUTTWED-INIZCTEOSA-N 427.523 1.660 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 809889656 IPOMDGQBZGXMIA-KRWDZBQOSA-N 436.557 1.541 30 10 IDEE C#CCN1CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CC1 810214356 WCOROOVTARHDMN-YAIJSEKYSA-N 429.520 1.243 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 812187626 AXPRPWKDZRXZDW-MJGOQNOKSA-N 448.593 1.320 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3nc(C(C)(C)C)no3)CC2)o1 919125199 DKSIDCIMRPDMAY-UHFFFAOYSA-N 430.465 1.360 30 10 IDEE CO[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)OC(C)(C)C 1125188743 HLVOVEOXSCIXKM-GXPOEHQZSA-N 425.507 1.795 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)COc2cccc(C#N)c2)cc1 1128863047 CAXOQFBMUQUEPZ-OAHLLOKOSA-N 425.441 1.884 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1136633026 XJAGUOTYYYUBDV-LJQANCHMSA-N 440.544 1.809 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 1137114998 WJOARUPUTOUSHA-ZIAGYGMSSA-N 425.917 1.986 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1141255583 LFVMMSXYJFLIMN-UHFFFAOYSA-N 436.534 1.898 30 10 IDEE C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1141312728 MZVCHNIFASORGQ-MRXNPFEDSA-N 442.520 1.070 30 10 IDEE C=C[C@@H](C)ONC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1144589793 UBAREIBETKIHMO-SNVBAGLBSA-N 437.287 1.845 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 1154385241 VXFVXJPIBROYCG-ROUUACIJSA-N 433.530 1.441 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)c(Br)cn3)CC2)C[C@@H](C)O1 1162132626 YHQAOQJYGSLZRR-BETUJISGSA-N 444.355 1.192 30 10 IDEE C=CCN1CCC(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1186643405 LPBWDDYTEQEFEZ-VQTJNVASSA-N 437.562 1.592 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1286280200 UUXQXBIZKRIHDU-LBPRGKRZSA-N 443.451 1.485 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286314416 NZYOYZAAHITTNU-WBVHZDCISA-N 449.581 1.842 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286347158 JCXXTVSQOYBGIZ-HNNXBMFYSA-N 429.550 1.319 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1286479881 PCRLBXUILUGTAU-MRXNPFEDSA-N 445.568 1.288 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286507046 UPIMTFWVBROPIE-LJQANCHMSA-N 448.637 1.877 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286776370 WFFCFRHRPOQZGN-AEFFLSMTSA-N 438.598 1.108 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286776714 UAEMNVLTYBWKDW-UHFFFAOYSA-N 444.561 1.488 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286789325 CZPVTNLYIONDEJ-ZWKOTPCHSA-N 441.488 1.890 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCOC2(CCOCC2)C1 1286792100 MFFIXJPIPZBLRZ-UHFFFAOYSA-N 441.532 1.854 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286818191 DGQJKTXZYFSMBH-JXFKEZNVSA-N 435.550 1.269 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1286968127 IZYZKMUAEYMEPC-VHSXEESVSA-N 426.287 1.764 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1300487002 DDFNYCZEGHEPGO-IBGZPJMESA-N 444.605 1.785 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300488081 OOKFKEIJVSTGEI-BLIXFSHQSA-N 431.562 1.764 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCOCC1 1300548583 LOYGGNLAZJRADV-FQEVSTJZSA-N 432.528 1.770 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2CCN(C(=O)OC)CC2)CC1 1300725871 LAOYFIPPSLJKJJ-UHFFFAOYSA-N 444.580 1.921 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300863215 KXMWSIXKIFZQQR-CTASWTNQSA-N 440.342 1.626 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301197616 VZSUIRFGNPKMNY-IAGOWNOFSA-N 440.614 1.544 30 10 IDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301435643 ILUWCOGCUBVGIL-IBGZPJMESA-N 447.561 1.771 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1301506943 SKSUKJDMDKCQLL-GOSISDBHSA-N 442.539 1.469 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301577492 KIBKGDWIVMSCIR-JXFKEZNVSA-N 435.550 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCS(=O)CC1 1301593940 YEPQFFSHZCEVBY-UHFFFAOYSA-N 438.575 1.335 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1301808592 GEINHZXRPPKIPH-JMGYQRAPSA-N 445.611 1.094 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1303448818 ZOWNVHVWIKNUHM-FXAWDEMLSA-N 437.548 1.498 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccn3)CC2)cn1 1310671847 BZTRUXIRULMZJZ-UHFFFAOYSA-N 441.517 1.487 30 10 IDEE C=CCn1ncc2ccc(NC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)cc21 1311252999 YMGKOKKNAAKUEJ-UHFFFAOYSA-N 434.504 1.873 30 10 IDEE CCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1314483353 YYZHILIRZSNPJR-UHFFFAOYSA-N 435.536 1.925 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314810709 UTFKBHILIIDTSU-VXAPJYQHSA-N 430.509 1.171 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(C)(C)O 1316209472 QVWRTYYMPGXUEP-KRWDZBQOSA-N 428.537 1.971 30 10 IDEE CN(C(=O)c1ccncc1)c1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 1318993014 DMBHMCRIFXVBKH-DQRAZIAOSA-N 433.468 1.891 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1358984694 DJXBTJDWFQXQLQ-GOSISDBHSA-N 442.589 1.461 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1359025385 MJWAAFAYQMWUAY-SFHVURJKSA-N 437.566 1.197 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1359044277 AYYKUOIHUTYBNR-RLLQIKCJSA-N 429.565 1.689 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCNS(C)(=O)=O 1359100659 DYTOEILTWLLBFT-MJGOQNOKSA-N 434.566 1.231 30 10 IDEE C=CCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1359290732 NYNNNVSYDSGYIL-IIBYNOLFSA-N 437.541 1.846 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1359305700 KRBVTOSBPKDKFD-UWJYYQICSA-N 431.493 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(OC)C1 1359336479 RGIPZTHLPDTNKY-ZWOKBUDYSA-N 442.582 1.608 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)cc(OC)c1OC 1435803452 NMIXXEPZLHIHGY-VMRPVKRXSA-N 440.456 1.387 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)CC1 1455115293 NOBNZPFVYNBBHM-MSOLQXFVSA-N 446.573 1.165 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccc21 1456060928 JZLYCCLHWPOPOT-FQEVSTJZSA-N 446.511 1.695 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1457001709 OOUAKMUPRZCIHN-NRFANRHFSA-N 448.545 1.727 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@]3(CO)C2)n(-c2ccc(F)cc2)c1C 1460849752 NWWQJDFRCMPQIL-HSZRJFAPSA-N 441.507 1.422 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC)s2)s1 1463979213 BNLGVJSAKVZVDJ-UHFFFAOYSA-N 449.601 1.041 30 10 IDEE C#CC1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1469364665 NBAJKOXBEWSSNY-INIZCTEOSA-N 445.463 1.490 30 10 IDEE C#C[C@H](NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)C1CCOCC1 1470864981 LXAQRTKDVCYWKA-SJORKVTESA-N 435.521 1.466 30 10 IDEE CN(C)CC#CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1471037029 YKDHPEOPYHHSBG-UHFFFAOYSA-N 443.525 1.944 30 10 IDEE CCN1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1502324578 QWJNOPKWQGRMTQ-YGCDDZCOSA-N 436.520 1.397 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN(C)C(C)C 1505080433 KDOWNDAEVRCQAN-JBACZVJFSA-N 445.612 1.909 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507588253 HWODUAVNGXTLGU-IBGZPJMESA-N 445.545 1.722 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507596091 BYBCHOXQRALTBX-UHFFFAOYSA-N 426.468 1.744 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507644404 GUMKKFACKNTMHV-QFIPXVFZSA-N 448.571 1.969 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC)C1 1507647941 IOLXYECVKJBVPZ-SFHVURJKSA-N 439.589 1.653 30 10 IDEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1507656303 FRNDNTGAFNSTTC-UHFFFAOYSA-N 435.619 1.462 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)C)n1 1507715984 FEBUXCKEQASVQI-UHFFFAOYSA-N 436.520 1.219 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CSCCS2)CC1 1507719005 JQHZXVRMTJQYND-XLIONFOSSA-N 437.635 1.534 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1507721085 YFBMYCBIOMNUJO-VIZSFHNOSA-N 447.580 1.125 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnn(C)c2C)CC1 1507721086 LRVAOIMEFVCIEU-UHFFFAOYSA-N 435.532 1.808 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1508073420 JSAHWNNUZRQJTA-RYRKJORJSA-N 446.577 1.573 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508134733 VWJCHENWNSODFZ-CQSZACIVSA-N 428.536 1.071 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1508312102 AOHGXYKWIONDCC-IBGZPJMESA-N 449.519 1.096 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1509957413 GMXDCHCCNFDTNQ-QFBILLFUSA-N 447.547 1.919 30 10 IDEE Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CCO2)o1 1511733225 FYHBDDVWZUYGCD-KRWDZBQOSA-N 436.476 1.564 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1519437262 TZZRKHGGWOABPU-VCAMNPENSA-N 445.524 1.120 30 10 IDEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1521114418 CEGCPHSSZXJILG-AWEZNQCLSA-N 428.884 1.722 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCOCC2)CC1 1521149164 QQCCLOKFAAJNIW-UHFFFAOYSA-N 429.569 1.643 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1539239130 IDAQJWVRZNXPKL-MRXNPFEDSA-N 427.530 1.139 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 1539278132 OKZSLLKKGIKXME-QGZVFWFLSA-N 431.489 1.754 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539910931 QEXGPWUDEOPLNS-UHFFFAOYSA-N 439.564 1.813 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1540033606 MXMSNFXFMNJOTN-QGZVFWFLSA-N 429.500 1.683 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1540868362 BMRSVKRYNAGQMW-HNNXBMFYSA-N 442.524 1.388 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540877352 SBNRGHQHEHLONQ-OAHLLOKOSA-N 433.582 1.435 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1541057211 PDVYTGRVVFFDEE-QQMHEVNUSA-N 441.536 1.425 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCCCCS(N)(=O)=O)cc1 1541115214 YMLPBPHOXMQWSC-CAPFRKAQSA-N 430.552 1.287 30 10 IDEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCN(C)C(C)C)C2 1543094356 GMUQDHARXVTIGJ-UHFFFAOYSA-N 435.536 1.989 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1544975480 RZVMHVGIORTCDF-FZFLATATSA-N 439.545 1.732 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CCN2C1=O 1547604534 GKZJTJSLJWKURJ-MAUKXSAKSA-N 436.520 1.240 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555263118 QBMPTFBNIZOUMW-GOEBONIOSA-N 428.472 1.086 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCC(O)CC1 1555628699 KKYKMEBSRBMDJP-GOSISDBHSA-N 434.585 1.979 30 10 IDEE CS[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1555832434 HOQRQIMTNWMMFX-INIZCTEOSA-N 440.577 1.859 30 10 IDEE C=CC[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1556412460 YSFSVGWHEUBCRZ-BTYIYWSLSA-N 437.496 1.822 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)C1 1557242032 ZJAPTZOHWBWWLG-INIZCTEOSA-N 434.468 1.852 30 10 IDEE CN1C(=O)C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1c1ccc(Cl)c(F)c1 1558806121 FCOQCJULUFWHQF-SUMWQHHRSA-N 445.838 1.216 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNS(=O)(=O)c2cccnc2)CC1 1566611076 JNBIGPGHCYOYKX-UHFFFAOYSA-N 436.534 1.127 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1570513369 FQHAMYDSGSYLFK-YXJHDRRASA-N 448.545 1.693 30 10 IDEE C[C@H]1CCc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)c(C#N)cc2C1 1586403463 WWGMPTFWMRSVRF-AWEZNQCLSA-N 443.529 1.690 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC)C(=O)C1 1587855915 DXXPEGGGYLNOGW-UHFFFAOYSA-N 436.564 1.924 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1587893304 BSKRHTYPGHSKEW-CALCHBBNSA-N 445.568 1.924 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)CN1CCOCC1 1587984775 LALPTYVGSPZRTQ-LJQANCHMSA-N 438.580 1.490 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1588055275 URFNSNHDAYGEBL-OALUTQOASA-N 444.557 1.747 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588074229 LGLAAJGLTXTFEE-JKSUJKDBSA-N 435.575 1.846 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCN(C)C1 1588604581 LYVNLAVAQSKLAP-OAQYLSRUSA-N 433.940 1.760 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)CC1 1588743142 YDPYOEZEUGBJRI-KRWDZBQOSA-N 449.552 1.747 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOCC2)CC1 1588769849 ZHJVDRALSYACEW-UHFFFAOYSA-N 439.520 1.331 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)c2ccccc2)CC1 1588865140 PZYAFMWGCBRDTI-UHFFFAOYSA-N 428.487 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1588876737 HHOBMBCGJJQBDV-SJORKVTESA-N 442.486 1.148 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C)C1CC1 1595021358 YAEWRDLPEUSGOT-ZDUSSCGKSA-N 428.559 1.568 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1 1595109282 WKAOUQBTESBQED-OXJNMPFZSA-N 435.550 1.232 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1595705649 CQRNFJNRXAZSQR-DPPKGPFUSA-N 435.488 1.648 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(OC)CCOC2)C1 1595744286 LEMZWRFJUGKXHR-IERDGZPVSA-N 447.561 1.856 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1611695519 IRVNZBWRUAEKPJ-NRFANRHFSA-N 448.545 1.839 30 10 IDEE CC(C)(C)n1ncnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1611766961 FEPTYRNWMIVLBO-YWZLYKJASA-N 446.581 1.705 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)s1 1616346772 NQEYXTCUHUXWEY-UHFFFAOYSA-N 437.499 1.953 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1618636905 YRDALFOLFQANON-QGSQVHNNSA-N 449.515 1.434 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCC2)C1 1618846959 DIJVYZQLTJUROF-UHFFFAOYSA-N 430.534 1.658 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1620045502 VVPBDYNKJMXAML-CVDCTZTESA-N 438.532 1.927 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1624565339 OVQXIPMGKHBIQO-UHFFFAOYSA-N 445.900 1.795 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 1625472227 GOBKCOVMAOEQMZ-HDICACEKSA-N 435.546 1.201 30 10 IDEE C#CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)cn1 1634630966 HNORUANNKKBTMC-UHFFFAOYSA-N 428.470 1.725 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1S(=O)(=O)NCC#N 1635100147 JQIHUIUGMCAHDR-GDBMZVCRSA-N 436.534 1.782 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C2 1636223833 GAVWAQDEEVHGKC-GGPKGHCWSA-N 429.473 1.105 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)C1 1638392973 STDALFAIWAOVAM-INIZCTEOSA-N 426.489 1.078 30 10 IDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1641456557 OOEMUVGWFOAPQE-GOSISDBHSA-N 431.470 1.397 30 10 IDEE COC(=O)[C@]1(C)CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1642963197 BTJHLAGDNSXPCU-HRAATJIYSA-N 435.546 1.942 30 10 IDEE CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C[C@H](O)c1cccc(C#N)c1 1643725747 LMZCUIRCGQBPHO-GBXCKJPGSA-N 449.511 1.498 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCOC4(CCC4)C3)CC2)cc1 1682697272 CSKYNRFZPSAYFM-GOSISDBHSA-N 432.546 1.923 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC#C[C@H]2CCCCO2)C1 1684029122 GXELLDQFOQKSGX-SJORKVTESA-N 443.566 1.282 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCc3cccc(N(C)S(C)(=O)=O)c3)CC2)c1C#N 1685626554 HOMBHYPITIKBNC-UHFFFAOYSA-N 448.574 1.751 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOC(C)(C)C)CC1 1690137480 AGIYMZPOWSYJJN-HSZRJFAPSA-N 447.580 1.711 30 10 IDEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1690413309 OGPAZUMEUOZCFR-IBGZPJMESA-N 437.591 1.586 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1690574392 YPLMZMRXYVMFRP-HUUCEWRRSA-N 441.579 1.558 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1690609595 UOYWVSFJFNIHEP-UHFFFAOYSA-N 434.562 1.998 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1690665848 RIMQWXWEBKXIPQ-MAUKXSAKSA-N 437.508 1.227 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CCc2cccs2)CC1 1690669035 RLKGSOZMFXPZOJ-UHFFFAOYSA-N 438.561 1.464 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1C(C)(C)C 1690731386 JSESYBVUTNHTKH-SFHVURJKSA-N 439.626 1.725 30 10 IDEE CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1692428241 URKUYWQUNOYVDR-YOEHRIQHSA-N 425.493 1.435 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)CC1 1698494882 XJFWMFMUYZLCBG-UHFFFAOYSA-N 425.493 1.440 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 1705561030 MXASAHCXUHLWMG-FQEVSTJZSA-N 443.573 1.744 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1705567510 YETZQODCDSTDCE-SFHVURJKSA-N 429.546 1.868 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(Cc2ccccc2)CC1 1705573356 FHXXKLZSJUFEEU-SFHVURJKSA-N 425.558 1.984 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705587595 BFAXMCDIBLAIDQ-IHFIDZABSA-N 428.533 1.803 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCNC(=O)OC(C)(C)C)CC1 1705632105 IALYMLJURBALCC-UHFFFAOYSA-N 447.584 1.476 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2nc(C)c(C)s2)CC1 1705642225 LOYUUPDBVSLUHG-UHFFFAOYSA-N 427.578 1.472 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@H]2COCCO2)CC1 1705642922 MMKHZKVZHPGKGL-HXUWFJFHSA-N 425.533 1.590 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)N(C)C)CC1 1705649677 CRFMSECUVHVYIA-IBGZPJMESA-N 438.576 1.816 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1705700844 YZUNFEALVGTBHU-MLHJIOFPSA-N 439.582 1.438 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705705374 HANDHLLSFLZGHA-BJLQDIEVSA-N 431.562 1.868 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2OCCC2(C)C)CC1 1705769461 SVSMUNMPHRPSMB-SJORKVTESA-N 439.582 1.583 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705945709 PUDKRGALLFJQLV-INIZCTEOSA-N 429.612 1.911 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1706187838 HBZUARFBAYENMO-BRRNQIAESA-N 434.522 1.282 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1711893912 MTCIXAFZFOIRJO-ZWKOTPCHSA-N 426.477 1.297 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCn2cc(C)nc21 1712566117 KJFBXILGRTVZFY-KZNAEPCWSA-N 429.525 1.813 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)F)CC1 1712881874 MTRUZCVLRRNEMU-MRXNPFEDSA-N 433.463 1.657 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1722366251 HSCCFYVEHLVOSV-GOSISDBHSA-N 443.573 1.641 30 10 IDEE C#CCN(c1nnc(CC)n1CCCc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 1722367797 OHEGNEACGSUWDQ-MRXNPFEDSA-N 426.546 1.976 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCOCC1 1722387901 QYADXRDLEUWHKO-IBGZPJMESA-N 435.532 1.357 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)C 1722406606 SMYMNVKVIJLWFZ-UHFFFAOYSA-N 446.577 1.427 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCS(=O)(=O)c1ccccc1 1722425358 VXNZHVZNKUBWGL-UHFFFAOYSA-N 425.514 1.900 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC)CC1 1722448045 QMAXOAHNVJBOGP-UHFFFAOYSA-N 436.564 1.828 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722536904 IOSWNPUUNBSGCD-ROUUACIJSA-N 441.598 1.483 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722694663 DEDSABLDLVLVPX-FUHWJXTLSA-N 440.548 1.937 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722698001 SAAJGPFHPMFZSJ-UHFFFAOYSA-N 438.536 1.266 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1722867168 FAQQCFJPHJHXQG-CABCVRRESA-N 448.524 1.345 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1Cc1ccc(C#N)o1 1723944562 YFBPQPJNABMJMV-ZQIUZPCESA-N 434.522 1.407 30 10 IDEE C[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1726493700 CAVAAQYPYYQURP-SJTPKYKMSA-N 441.536 1.665 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2Cc2ccc(C#N)o2)cn1 1729569660 QLJBPMMDZMPQJI-LBPRGKRZSA-N 448.409 1.696 30 10 IDEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1730116905 SQCUCMNPZGCOEH-VXKWHMMOSA-N 426.496 1.992 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)CCO1 1731185641 AUDBRUZLBKTEPL-ZDUSSCGKSA-N 432.286 1.446 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740621726 OKGWUQRXCRPVNT-WIYYLYMNSA-N 429.546 1.782 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1COc2ccccc2O1 1740680170 TUHLAHGMVUTGPY-MBSDFSHPSA-N 442.516 1.856 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1740809332 FPERSAHCBHNOKZ-GFCCVEGCSA-N 434.850 1.877 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740888496 TYEBPAICNAMHFH-OKZBNKHCSA-N 425.599 1.692 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740950755 GNSRMXAEANPJQR-WMZOPIPTSA-N 427.509 1.009 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCSC2)C1 1740985136 CALFYQQMBCLIEA-SFHVURJKSA-N 427.596 1.351 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2CCCO2)CC1 1740989813 AEXJUGWYUBGUHT-GOSISDBHSA-N 434.566 1.675 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741089670 SFIORSHUBLTGFZ-OZNQOIHVSA-N 443.552 1.455 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1745146290 DIUVJKQGHLLLGH-VXPUYCOJSA-N 429.525 1.252 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748808269 JDTBWQYKOPVPQN-KRWDZBQOSA-N 430.530 1.495 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748811415 GPRZNFGLQGCRLR-QZTJIDSGSA-N 443.577 1.094 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1748972576 LOYCTEHZPWBDGV-LJQANCHMSA-N 429.613 1.274 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CN(C)CC)c2)CC1 1748994391 FHDGMEZCNBBAIN-UHFFFAOYSA-N 449.603 1.656 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)NC(C)C 1749073445 PKFDTPRFPCLWPI-HXUWFJFHSA-N 433.582 1.460 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)CC 1749471103 JPFLWYBTDGGENE-HHHXNRCGSA-N 425.580 1.586 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCOC3)n1CCCOCC(F)F)C2 1750382354 UDXGAEFUOAZVRS-ZDUSSCGKSA-N 434.447 1.989 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1760187639 KSDJPQOHKVPLPU-ZWKOTPCHSA-N 444.561 1.140 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1760206029 PGMPQCGMKLOZJY-ZDUSSCGKSA-N 436.431 1.170 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1760217732 LBWDRLNEFAGKIM-FQEVSTJZSA-N 441.557 1.939 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(CC)c1 1760248344 JBRKAVXQHOLAKT-UHFFFAOYSA-N 432.488 1.945 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760258820 SZNNAVXFGKIDJC-XDOYNYLZSA-N 431.500 1.227 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N(C)C 1760296111 LOCBTTAEFSKVMR-OAQYLSRUSA-N 441.561 1.400 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1C(C)(C)C 1760528883 PLDNAOMVLMWPRK-QGZVFWFLSA-N 445.612 1.447 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CN(C)C2=O)C1 1760550304 WGDPXPWFRNTSQG-QVKFZJNVSA-N 444.561 1.529 30 10 IDEE CCCNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1766231754 BKCFXNUNWQQHPZ-QGZVFWFLSA-N 439.568 1.964 30 10 IDEE CN(CCC(F)(F)F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768831068 OHSFUEHDFXRBNH-ZLUHGAPXSA-N 428.415 1.697 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1769177229 HJGMOVZMMGTFJJ-MBSDFSHPSA-N 435.532 1.962 30 10 IDEE COCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769560569 OTLPUAQTTYXZPP-JOCHJYFZSA-N 427.553 1.857 30 10 IDEE COCCOCc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1770127073 ABSJJHGBWZDWDU-WOJBJXKFSA-N 427.505 1.722 30 10 IDEE COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1770776458 MFOYNKXPZGSPJO-FQEVSTJZSA-N 448.531 1.519 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770918471 BJLMIOYQBTWNKM-WXVFVKJXSA-N 447.499 1.816 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C3CCC3)n2CC(=O)NCC(F)(F)F)CC1 1771534275 UJIYXJUDULLCKS-UHFFFAOYSA-N 448.453 1.817 30 10 IDEE COc1ccc(S(=O)(=O)NCCC(=O)ON2C(=O)c3ccccc3C2=O)cc1OC 1772790445 ORRQKHSMXZSPOR-UHFFFAOYSA-N 434.426 1.127 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1772887860 QPBUSCXQIVUROK-UHFFFAOYSA-N 430.516 1.929 30 10 IDEE C[C@@H]1CC(=NC(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)NN1c1ccc(Cl)cn1 1851774710 WMZHQOVUVSUYQD-OLZOCXBDSA-N 425.942 1.968 30 10 IDEE CC[N+]1(C)CCC(N(CCS(=O)(=O)N2CCCCC2)C(=O)c2cnc(C#N)nc2)CC1 1853596699 DWDNYZQDPAREQF-UHFFFAOYSA-N 449.601 1.235 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)[C@H](C)C2=O)CC1=O 1855002521 POGCMVAZURSAAF-IAGOWNOFSA-N 433.530 1.086 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)CC1=O 1855104083 LACCDZMUFMSNRO-HNNXBMFYSA-N 427.473 1.365 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OCC)c(C)c3)C2)CC1=O 1856803428 LLSXMWIHLKXVKY-CVEARBPZSA-N 438.502 1.276 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)CC1=O 1856806002 WEALNKPUIIRVHD-OLZOCXBDSA-N 444.893 1.231 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCC(=O)O)c(C(=O)OCC)c1C 1860761403 UIUWYSBTWPBVSU-UHFFFAOYSA-N 426.447 1.496 30 10 IDEE CCN(CCO)C(=O)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869927951 JHBAVIPHBMIBNX-SFHVURJKSA-N 447.582 1.868 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2cc(Br)ccc2OC)c1=O 1873494656 DNJDAJIHFCRHDN-CAOOACKPSA-N 427.280 1.686 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@H]3C2)[C@@H]1c1ccc(C#N)cc1 1889380578 GFWDJIBHEPDYIZ-CAMMJAKZSA-N 440.525 1.025 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C(=O)O)C1 2224075134 YGEPVEXQROYRAE-HNNXBMFYSA-N 433.314 1.891 30 10 IDEE Cn1nc(C(=O)N(CC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247912509 HSQJOXIHPAUBNP-UHFFFAOYSA-N 432.717 1.500 30 10 IDEE C[C@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255607022 VSSAFWRSHOGIHC-CYBMUJFWSA-N 437.350 1.442 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2255615624 LCQGUIYYBQGAGM-AEGPPILISA-N 432.330 1.837 30 10 IDEE Cn1cc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255623581 OZGCTLUNPWEPMU-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE Cn1cc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267138954 ZGTBNGHYSHTAPS-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2267176644 CLADGYPVSVIICY-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267280689 QKLMXUXLEMPBBQ-UHFFFAOYSA-N 443.313 1.803 30 10 IDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2287691957 DYUWONHNRZNFNG-FXAWDEMLSA-N 440.518 1.187 30 10 IDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)C(CO)(CO)NC(=O)OC(C)(C)C 2320987798 VYOILDXLMPMWNF-UHFFFAOYSA-N 440.346 1.437 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(NC[C@@H]3CCCO3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCCO2 72461385 OYASRYXDVRAZBN-ZQIUZPCESA-N 437.456 1.746 30 10 IDEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 103936590 ZQXARYHLORSUIF-IGTQYIEMSA-N 434.474 1.751 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 437661667 OCWFGBVICILFMW-UHFFFAOYSA-N 437.566 1.169 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447778028 HPXOKWWYGWWKOX-UHFFFAOYSA-N 433.537 1.631 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCCOc3ccc(C#N)cc3)CC2)c1 460258055 CZWJZVDHWIEZJA-UHFFFAOYSA-N 442.541 1.514 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCOc1ccc(F)cc1F 460608586 SBWCIRGORQAQFY-UHFFFAOYSA-N 426.383 1.859 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3Cc4cnnn4Cc4ccccc43)C2=O)cc1 470745059 ODGPPRMCJXFVRB-LJQANCHMSA-N 441.451 1.950 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(F)cccc2CC)c1=O 478740274 RXBQMTZRWDQOLY-UHFFFAOYSA-N 431.533 1.677 30 10 IDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(C#N)cc1F 480720309 ZJILNSBMSZADMM-FQEVSTJZSA-N 432.521 1.406 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@H]1CCCO1 480941577 YHDSXGZSWCFQCC-GDBMZVCRSA-N 430.526 1.946 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 481789633 XERMNYKQMROVNX-MRXNPFEDSA-N 446.573 1.913 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1C#N 489115166 WYYCGRKUFHUPHI-UHFFFAOYSA-N 441.579 1.077 30 10 IDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 511497574 LODNJMUSENKAEO-UHFFFAOYSA-N 429.484 1.688 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 513048350 YRPFRGPKPMZDJB-UHFFFAOYSA-N 425.554 1.997 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(N)=O 524282050 NYQBLPQSCOVNOV-UHFFFAOYSA-N 447.516 1.407 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)n1 546929877 NFVVVSPXJRFLBK-OAHLLOKOSA-N 426.427 1.869 30 10 IDEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549861237 FTUCWNWIPDEMCQ-UHFFFAOYSA-N 448.531 1.805 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@H]1CCCO1 553659276 NWYUKBJGYUCKMZ-CYBMUJFWSA-N 449.985 1.929 30 10 IDEE N#Cc1ccccc1N1CCCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 560171876 CKGCLCPQFJHJQE-UHFFFAOYSA-N 435.459 1.661 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)NCCS(=O)(=O)N3CCSCC3)cc2)nc1 609506126 PFTFSGHLQAMBSP-UHFFFAOYSA-N 432.527 1.854 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@H]1CCCO1 610574487 YSFZTJPXCRLHOG-GOSISDBHSA-N 437.565 1.995 30 10 IDEE N#Cc1ccc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cn1 611157681 DDRKUTUMSPVBML-UHFFFAOYSA-N 425.470 1.727 30 10 IDEE C[C@@H]1O[C@H](OC(=O)C(F)(F)F)C[C@H](NC(=O)C(F)(F)F)[C@@H]1OC(=O)C(F)(F)F 642881322 NNJDNZHDVGVCLD-UNTFVMJOSA-N 435.195 1.748 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 726574170 BEFMJGRFNBVFDA-XJKSGUPXSA-N 428.558 1.557 30 10 IDEE COCCN1CCC[C@H]1CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 732466833 PWYLATLRKZBAMZ-VSGPLIKPSA-N 437.566 1.732 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 734292578 BXMDZPPMDQIXJP-FQEVSTJZSA-N 444.444 1.278 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C[C@H](C)C(C)C)C1=O 739399971 CJEIWGDPFXCJLN-PDXWTLFMSA-N 440.591 1.562 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)N(CC#N)c1ccccc1 755191004 YUYHEKBTVMPTPR-KRWDZBQOSA-N 444.488 1.602 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C)c2=O)cn1 772286291 YTVQQBPVUHCRGT-UHFFFAOYSA-N 433.537 1.780 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1C1CC1 772909482 IMMDLPHCVPBCCD-UHFFFAOYSA-N 432.571 1.165 30 10 IDEE Cc1cc(N2CCN(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 780209012 GYNMSVHAZSTNLM-NRFANRHFSA-N 437.500 1.706 30 10 IDEE C[C@@H](c1ncn(C)n1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 780310071 BJDWIDXFHGKWBJ-XJKSGUPXSA-N 447.540 1.715 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(Cc3ccon3)c2=O)cn1 781659254 ACBNTUOHILPQFU-UHFFFAOYSA-N 437.525 1.815 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)ccc2c1=O 787663852 XFTFNZPZDWJJIA-VXGBXAGGSA-N 432.502 1.057 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 789892885 WSBMWCIJCXMFOV-CXUHLZMHSA-N 425.514 1.582 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1 802338974 ZFJYPYHBMJIJSM-LJQANCHMSA-N 432.484 1.913 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807249825 IFNSTBCYGBONSQ-MRXNPFEDSA-N 446.554 1.443 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn(C)c2I)n1 816522078 JLNVNKGOKUBTNM-UHFFFAOYSA-N 427.246 1.143 30 10 IDEE C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCSc2ccccc21 853665364 JABMZURZDIURPQ-CQSZACIVSA-N 445.522 1.907 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 916775585 FLUOQGNOCTXQEW-UHFFFAOYSA-N 432.523 1.857 30 10 IDEE COC(=O)CN(CCC(F)(F)F)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1126955974 WNJMLBCHMCZOCE-AWEZNQCLSA-N 440.378 1.717 30 10 IDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1 1132364991 RUEPNJCDPCUTJE-QFIPXVFZSA-N 425.416 1.847 30 10 IDEE CCOCCS(=O)(=O)NCC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 1136008377 UFDVVYDIHXTPIJ-UHFFFAOYSA-N 444.509 1.767 30 10 IDEE C#CC1(O)CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1148405476 AGJKAUUOZUNDSM-JOCHJYFZSA-N 438.521 1.321 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2cn(Cc3ccccn3)nn2)c(=O)c1C#N 1161250121 BFYMTJYENSYPLP-UHFFFAOYSA-N 428.250 1.518 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1=O 1189745396 FLBUWMQVACLIIH-UHFFFAOYSA-N 436.390 1.084 30 10 IDEE C#CCN(C(=O)NC[C@@]12COCCN1C(=O)OC2)C1CCN(C(=O)OC(C)(C)C)CC1 1235371608 GMLMNDABKMJGLN-NRFANRHFSA-N 436.509 1.252 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cnc(C(F)(F)F)nc3)C2=O)cc1 1278987600 ICJQODDIJBHNML-CQSZACIVSA-N 432.362 1.888 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](CO)O1 1286280193 URQACHFUWSOMRI-BPQIPLTHSA-N 447.561 1.193 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286385263 LXQZRFMTOUZRSZ-QGZVFWFLSA-N 438.594 1.646 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Cl)cn1 1286460579 GSHKKQCEMRSUAQ-UHFFFAOYSA-N 428.884 1.562 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286511373 JZZYDZQZAPQNJE-IRXDYDNUSA-N 438.623 1.764 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1286516334 GDKPXZXGUCVEFX-OXJNMPFZSA-N 436.582 1.283 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccccc2CC1 1286822757 GZAOIRJLKMLOHQ-UHFFFAOYSA-N 443.573 1.607 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1C(C)(C)C 1286825728 WBRWJLPMIBNMAA-KRWDZBQOSA-N 425.599 1.477 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286964585 CGDSJOXDEOJVHE-AEFFLSMTSA-N 427.557 1.217 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)Cc1ccon1 1300447017 UETUBMBNKYHANQ-UHFFFAOYSA-N 435.897 1.171 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1300479941 VXMIULQGCPUHLS-KRWDZBQOSA-N 433.534 1.465 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300487858 MPBMKQKRIFGQPX-OAHLLOKOSA-N 425.461 1.249 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300503163 AWYIIYGWHOUGMP-KNQAVFIVSA-N 446.573 1.739 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1300597610 NSZFIXKGVGPNOR-OAQYLSRUSA-N 430.940 1.388 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1300631069 KZYOWJNWPVKUQO-HZPDHXFCSA-N 441.623 1.602 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300751764 QWFQYSPTBGWPRD-GOSISDBHSA-N 444.586 1.701 30 10 IDEE COCC1=CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301195964 MZGUJYZMKZHLON-DQRAZIAOSA-N 449.515 1.573 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1301296497 IKBLFJRBVYEEQS-KRWDZBQOSA-N 447.561 1.318 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1301341550 SMUBUYWNNCPSCI-UHFFFAOYSA-N 432.492 1.150 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1302147552 AQONWPVEMMLJJJ-FQEVSTJZSA-N 441.532 1.990 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1312683382 QOJMZLANWUMEJS-INIZCTEOSA-N 425.526 1.999 30 10 IDEE CCOCc1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1314414324 YAJJZMLQJKOBNK-HNENSFHCSA-N 430.509 1.490 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1353222241 KNAGKSIUYHGFOK-INIZCTEOSA-N 430.509 1.934 30 10 IDEE CN1C(=O)CN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 1355059146 CGOSQWJKVHPNIC-LTGZKZEYSA-N 435.506 1.112 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCS(=O)(=O)NC)c1 1358903274 QMXFJVRSPYVYOJ-UHFFFAOYSA-N 432.550 1.082 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1358932848 YLHCXFALPKWTHJ-UHFFFAOYSA-N 429.594 1.694 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358957537 VSXRRRIMNQDDMR-NVXWUHKLSA-N 442.607 1.243 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1358963728 MZEGYQIHLPDFEA-ROUUACIJSA-N 432.550 1.073 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1358968777 YJLSFMBUYGVWGJ-ZHRRBRCNSA-N 441.919 1.474 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1359001892 GQDKHJDYAJZQCB-XMSQKQJNSA-N 428.537 1.790 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(=O)(=O)CC 1359003120 ZAZPKQOKXPTILO-UHFFFAOYSA-N 443.371 1.825 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359057106 SEOWOAJDGWJLPZ-RTBURBONSA-N 446.621 1.629 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 1359133188 MVTMZZXHCMTWRQ-BZSNNMDCSA-N 439.582 1.583 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359140520 DKMWXLXBKDBAOU-AWEZNQCLSA-N 429.916 1.546 30 10 IDEE C=C(Cl)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359157758 SWHLZRHVYBZDLY-QFBILLFUSA-N 427.933 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359336065 DDYRRXOKRUWSTK-MDZRGWNJSA-N 426.539 1.115 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c(C)nc3c(c(O)nn3C)c2C)s1 1444234105 PFZQVWLZRUMSJM-UHFFFAOYSA-N 449.558 1.675 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1446928343 VQXGFQVDZAGJHB-QGZVFWFLSA-N 427.567 1.015 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1452709690 IEJYQUJJCOMMCT-UHFFFAOYSA-N 449.529 1.390 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(C2(C)OCCO2)cc1 1454614716 DWWIMFDPVIOHKC-HNNXBMFYSA-N 429.498 1.761 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 1461546282 XDBJYRKUIRIIJH-UHFFFAOYSA-N 427.442 1.602 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(Br)c1F 1462874673 OOTMHNVEUUTVSK-SECBINFHSA-N 428.276 1.538 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1465340434 LZNSGSVPPYOOAJ-GOSISDBHSA-N 437.566 1.679 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)C2=O)cc1 1467707998 SVHDBBCADHZRMC-RCZVLFRGSA-N 432.524 1.802 30 10 IDEE CON(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)C(=O)OC(C)(C)C 1471253823 NTURRWBNCXZKRP-ZDUSSCGKSA-N 425.507 1.626 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@@H](CCO)[C@@H](CO)C1 1472393051 FSKINHZXCCLIGV-QWFCFKBJSA-N 429.517 1.842 30 10 IDEE C#CCN(C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1479088869 ZEOIELHTESOOFV-ULQDDVLXSA-N 427.567 1.902 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCCC2)n1 1492753597 CSXFGFMVKGNYPJ-VQTJNVASSA-N 426.569 1.989 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1502372479 NNUBMXQOVWFIJD-MRXNPFEDSA-N 427.465 1.744 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1504530870 MFSHXBGMAWJOGU-UHFFFAOYSA-N 431.456 1.625 30 10 IDEE COCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504804750 UYSARHPJTPKRBN-UHFFFAOYSA-N 438.536 1.420 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H]1CCOC1 1504975995 SYNVKEPNOKRFQW-HZPDHXFCSA-N 442.520 1.964 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1507711503 VTFWFIUHHIPSST-OPYAIIAOSA-N 436.578 1.471 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCOC2)CC1 1507722522 ZEGPFYOIQNLJMJ-YKSBVNFPSA-N 439.560 1.942 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1507835766 LTBSHRBDFQSXNY-UHFFFAOYSA-N 443.552 1.446 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507873886 GEAWWRCVCPKMNH-YJBOKZPZSA-N 447.989 1.589 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCCC[C@@H]2C1 1508072951 LGPCFQWKLPSVRO-GOSISDBHSA-N 440.548 1.939 30 10 IDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCC1 1510348714 FINYLLWYOGOFDR-KRWDZBQOSA-N 436.582 1.931 30 10 IDEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1516667156 GOTDMMHCMBIYIZ-IAGOWNOFSA-N 437.566 1.506 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H](O)C2)CC1=O 1519205598 DTULOADSTPHBBZ-ICSRJNTNSA-N 438.532 1.663 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1519395610 SZJVPCJFFPDVAK-SFHVURJKSA-N 433.534 1.493 30 10 IDEE CC(C)C(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1525283234 SIIMFFQVCITMGB-GOSISDBHSA-N 425.489 1.526 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 1532448017 CCPOCKYQXAVASE-UHFFFAOYSA-N 431.308 1.917 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1539251680 NCKOUUWGILPZRS-SFHVURJKSA-N 440.525 1.756 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1539251682 NDAURJWBGXSWFH-UHFFFAOYSA-N 437.500 1.284 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CCOC 1539267039 VWIMSYBGVFCKNC-QHCPKHFHSA-N 437.548 1.312 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1539297090 ZBRBMGWINMBADB-KRWDZBQOSA-N 429.546 1.717 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C(C)C 1539399130 CXPFWRRWIHREHE-OAQYLSRUSA-N 434.562 1.842 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(COC)cc2)CC1 1539431380 UOKKMZDBSLYHAP-DEOSSOPVSA-N 439.560 1.880 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1540072144 JKRYKCCEDILKLR-QGZVFWFLSA-N 427.534 1.740 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540870773 WUUJXWHTNGDHBT-MRXNPFEDSA-N 433.557 1.104 30 10 IDEE CC(C)NC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1541116011 IDAZRTNJBZQJFK-MRXNPFEDSA-N 425.541 1.573 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542756292 ADXQRUTUJYINJD-BFQBXFRASA-N 436.516 1.929 30 10 IDEE COc1ccc(Cl)cc1CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1543565014 DKGQNNJTJJASMW-UHFFFAOYSA-N 431.880 1.217 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)n[nH]2)c1C 1545512635 LHCQVUKPNDSVPS-GOSISDBHSA-N 428.537 1.639 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)Cn2nc(C)cc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367835 QRNLFHHJBOFUCM-SFHVURJKSA-N 448.449 1.854 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccn(C)n1 1554287466 QZKFDFSLMODGKA-UHFFFAOYSA-N 443.533 1.381 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@](C)(Cn2cccn2)C(N)=O)cc1 1560214910 YNQADSJXRGVEEO-QHCPKHFHSA-N 449.515 1.643 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)s1 1561803199 GRYVXVYNBJYYFZ-UHFFFAOYSA-N 425.557 1.329 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)cc1 1565239678 WERBITOPSUYMIT-UHFFFAOYSA-N 446.511 1.637 30 10 IDEE N#Cc1cccc(-c2cnc(CNC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)[nH]2)c1 1566352206 PWUGVUNMDVJNLK-UHFFFAOYSA-N 431.452 1.948 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)c1 1568450436 VMPZQSXNQHCSQQ-GDJIYFAZSA-N 433.555 1.646 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)nc1 1585233528 VIVKJNXJQIGVBQ-HXUWFJFHSA-N 445.479 1.590 30 10 IDEE N#C[C@]12CN(C(=O)c3cccnc3-n3cc(Br)cn3)C[C@H]1CS(=O)(=O)C2 1585660016 BLJGLBXUHBDBOG-MEDUHNTESA-N 436.291 1.040 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587749229 CDDLDVICGLJMBZ-RXVVDRJESA-N 436.564 1.527 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588041140 VDGJDQYYDYKOHE-GDBMZVCRSA-N 436.969 1.570 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064332 GIEBWITXDAIHRN-QGZVFWFLSA-N 438.619 1.770 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](CC)OC 1588099166 IQNYPWVMSKYDCC-SFHVURJKSA-N 429.546 1.693 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)CC1 1588743143 YDPYOEZEUGBJRI-QGZVFWFLSA-N 449.552 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1588876809 KAKSLCUZZCENRT-GAJHUEQPSA-N 442.564 1.031 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1589662859 CPPSETHCYDTXMY-KRWDZBQOSA-N 434.522 1.526 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1594449293 VSKXAOLVQKSIRF-JOCHJYFZSA-N 445.568 1.833 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1595466806 NDNBCPLHBYDYRQ-OAHLLOKOSA-N 428.541 1.847 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@]2(CCOC2)O1 1612977695 GTBMWKKQVYSPHI-ZHRRBRCNSA-N 440.504 1.201 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCCOC)c(Br)c2)C1=O 1616463301 AEYBORFGSCJGIL-UHFFFAOYSA-N 440.250 1.390 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1617345711 BHXONJAZTIYRKQ-GOSISDBHSA-N 432.550 1.713 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1Br 1617557144 SQOODJYJDNLRGF-UHFFFAOYSA-N 435.307 1.569 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1618853613 UHZCGHZRWUTBAK-GBESFXJTSA-N 425.489 1.746 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@H]21 1620178422 GBWITDWEOFFUHS-FUHWJXTLSA-N 430.534 1.657 30 10 IDEE N#Cc1c(CCCNC(=O)c2cccn2CCN2CCOCC2)nn(-c2ccccc2)c1N 1624276837 DNYWAJWCKUEPCZ-UHFFFAOYSA-N 447.543 1.822 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CC3)[C@H](CO)C3CC3)CC2)cc1 1628155336 HYGJJFLOGZHIOE-RTWAWAEBSA-N 431.558 1.872 30 10 IDEE CCOC1CC(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)(N2CCOCC2)C1 1634438908 DOPDKDKBLGGKES-DKTYTTGXSA-N 438.569 1.960 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 1634860524 QEBCXWDWVQWHEB-OPAMFIHVSA-N 444.488 1.800 30 10 IDEE Cn1cc(C[C@H](CO)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1635265439 LBLBIYTZICNAKX-ZUHIPDPLSA-N 431.537 1.474 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)CCO)cc2)s1 1637045644 FFEVKMQVQQJKSN-UHFFFAOYSA-N 444.556 1.160 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1639840084 ISHMZMKBZHSEMW-RDJZCZTQSA-N 430.364 1.933 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)C1 1640218414 FQRAOFSTBWHNBL-GOSISDBHSA-N 428.514 1.712 30 10 IDEE N#Cc1cn(C2CN(C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)C2)c(=O)nc1O 1640636297 AMGULCMNMBUJIM-UHFFFAOYSA-N 437.456 1.253 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 1643372279 DQJCBDVXRAZKEJ-UHFFFAOYSA-N 449.964 1.297 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N[C@@H](c2ccccc2)C2CC2)c1=O 1652136096 IUNRTOHJJCZJLA-FQEVSTJZSA-N 438.484 1.491 30 10 IDEE N#Cc1cn(CC(=O)N2CCN(Cc3ccsc3)CC2)nc1I 1656672183 JQZPSTQKWUFDNR-UHFFFAOYSA-N 441.298 1.765 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@]2(CO)C[C@@H](OCC)C2(C)C)c(C#N)cn1CCOC 1660529874 ALJFWOJTDQPQNN-QVKFZJNVSA-N 436.509 1.870 30 10 IDEE C#CC[C@H](CCOC)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1672537170 OJIDUTNBEKLLCY-CQSZACIVSA-N 446.367 1.763 30 10 IDEE C#C[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1674219064 HDVYSLAORYDLIY-SFHVURJKSA-N 434.562 1.202 30 10 IDEE C=CCN(C(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@@H]1CCS(=O)(=O)C1 1675571819 IRDRJYAVUWCGDH-GFCCVEGCSA-N 427.504 1.828 30 10 IDEE N#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 1676236100 HIONZBIPSMOCGE-UHFFFAOYSA-N 432.477 1.718 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)s1 1685803061 AZVDFLDNFDHNLK-UHFFFAOYSA-N 434.547 1.133 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccccc1F 1689825666 AQRFQQJUWWFPTL-OAHLLOKOSA-N 435.463 1.952 30 10 IDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1689935279 ASVQCIPFGGRMDN-UHFFFAOYSA-N 425.533 1.780 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1OC 1690025034 BIBRRMMLAQWFKJ-IAGOWNOFSA-N 427.530 1.394 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1690047557 UDLSQGBPXBLYCI-GOSISDBHSA-N 440.525 1.463 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCc2ccccc21 1690092586 NKKHPXQAJCTRRZ-DEOSSOPVSA-N 446.511 1.845 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(=O)(=O)CC)CC1 1690111954 NGBOEYVUJILAFR-KRWDZBQOSA-N 449.552 1.747 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690115452 GVJBWNBQJSXYBK-OAQYLSRUSA-N 446.603 1.598 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nncn2-c2ccccc2)CC1 1690152223 CKNDGALUAGLFOO-UHFFFAOYSA-N 448.531 1.409 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCNS(C)(=O)=O 1690163436 FQSFETZGTQJTAQ-UHFFFAOYSA-N 428.971 1.345 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1690171269 YOEBKUGQKLQXAA-IRXDYDNUSA-N 432.594 1.728 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1690175472 XYCBFVYYFOIZPK-HOTGVXAUSA-N 429.612 1.460 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690219770 KSQBVWMKCSXYMQ-KFWWJZLASA-N 442.358 1.873 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690248300 MLNIVXKKKIYTEU-ODULNIPZSA-N 441.532 1.605 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690254827 JFDNTSXBDIPFNP-IBGZPJMESA-N 445.612 1.859 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690304397 ABPTZBDYJUHKKW-QGZVFWFLSA-N 430.465 1.397 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1690667752 GJXCMJNCHMLBAP-INIZCTEOSA-N 438.492 1.727 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnn(C)c1 1690669171 WJULHLXJVJVFSD-UHFFFAOYSA-N 431.504 1.803 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOCC2(C)C)C1 1690711947 LAPLBAXVGRGCFG-SFHVURJKSA-N 432.569 1.293 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690743944 HPUCLOZBBFBHAG-DLBZAZTESA-N 441.623 1.452 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CCO1 1690962228 OQQFPHOPSKQZJH-FQEVSTJZSA-N 438.463 1.862 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1692593078 WUVRYRWJXOCKHO-RPBSFSNWSA-N 430.509 1.444 30 10 IDEE CN1C[C@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N(CCC#N)CC2CC2)C1=O 1696874649 NEWAPUALTILOEA-OAQYLSRUSA-N 441.561 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCOCC1 1705593963 ZNPQOFKAZFGJAX-LJQANCHMSA-N 445.531 1.104 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(C)s1 1705623240 KUOXLAHMWNYJJE-UHFFFAOYSA-N 446.558 1.643 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2CN2CCCC2=O)CC1 1705642650 CAUOZFFTVYZJJY-UHFFFAOYSA-N 436.560 1.741 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705656638 DLVANRAHMDVQMZ-HZPDHXFCSA-N 444.513 1.400 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705813819 VCIZOSSZHOGVNS-SFHVURJKSA-N 442.549 1.900 30 10 IDEE C=CCCOCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1705832836 KPHVFJVOAFJNPX-JOCHJYFZSA-N 444.536 1.179 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708288825 DRPSHHNEZFOQGU-VQYLBFNNSA-N 443.552 1.813 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](F)COC 1722395225 VHEDHKIQGCGXLN-KRWDZBQOSA-N 446.552 1.994 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1722412911 FTELPXXMEYXGOO-HXUWFJFHSA-N 427.574 1.698 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722452794 KWHKBLSVXHZRKV-GOSISDBHSA-N 432.594 1.182 30 10 IDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCC(N)=O)CC1 1722553470 AXBATKINWHJBSH-UHFFFAOYSA-N 438.941 1.493 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1722679842 NRISWYOODPTOBX-UHFFFAOYSA-N 448.531 1.807 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1722681107 GOIAGOAOHZSVMB-YVORESIASA-N 430.596 1.120 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNS(C)(=O)=O)C1 1722723488 YYILZYJHSBIILX-GVDBMIGSSA-N 441.598 1.527 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2ccccc2O[C@@H](C)C1 1722725418 OIDUCZXYXVEBPB-INIZCTEOSA-N 447.561 1.805 30 10 IDEE CCC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1727956887 NJUYMGCSFJJNQI-QGZVFWFLSA-N 439.520 1.751 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1729396343 DDPJGUCGHPBUGG-ROUUACIJSA-N 437.504 1.668 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1729636291 CFWPJIYVKAAOPG-NYHFZMIOSA-N 426.521 1.708 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)nc2)CCO1 1729680447 DWFKWGHYWLVCAU-KRWDZBQOSA-N 437.891 1.865 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1730200800 DRAGDZDIVJIWGU-ROUUACIJSA-N 440.504 1.509 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1730497461 GZPYNSYAJOAPMM-CVEARBPZSA-N 430.440 1.354 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC1(O)CCS(=O)(=O)CC1 1740614197 JEZLYTLWSMUMQK-UHFFFAOYSA-N 448.545 1.265 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2NC(=O)CC2(C)C)n1 1740688425 VHMNIWNDCAIWLN-GOSISDBHSA-N 427.553 1.799 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](COC)OC)CC1 1740704773 XKPIIWAAFNTUKV-LJQANCHMSA-N 425.533 1.881 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740709056 IQEULRNXCFUWJN-XHSDSOJGSA-N 427.596 1.403 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740801091 ZSHQNSBVHGQTOZ-UHFFFAOYSA-N 432.916 1.392 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1740822762 ONSCDTLPMDDVNM-ZDUSSCGKSA-N 426.905 1.275 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCSC2)C1 1740963332 HXNUZTLYPOWMQX-HXUWFJFHSA-N 446.602 1.905 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740963431 KOZOYVJIUGFGAL-QGZVFWFLSA-N 427.505 1.857 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1741700835 BEUKHIIULXLSQU-UHFFFAOYSA-N 445.531 1.382 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCCC2)CCOC1 1746732637 ARJMBJJHGJHLLA-AVRDEDQJSA-N 446.552 1.452 30 10 IDEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1747142768 FUUQVPNWGSONLW-XMSQKQJNSA-N 431.585 1.887 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)Cc1ccon1 1748658313 PUMXPVWYOWBAQE-OAHLLOKOSA-N 444.517 1.519 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1748745967 WILOWFHPYAWXJW-NRFANRHFSA-N 437.592 1.985 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1748809329 SERRRCSDBFDYKJ-JXFKEZNVSA-N 434.518 1.279 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1748820708 HVFHNXNQTBCEGX-GOSISDBHSA-N 444.586 1.844 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1748822098 XPPHBIWYPPJMNY-GOSISDBHSA-N 430.578 1.728 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCNS(C)(=O)=O 1748956715 YLZMFUJDWZNVHS-UHFFFAOYSA-N 428.518 1.129 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749220288 DBIMMWHGNBNKGO-IBGZPJMESA-N 426.521 1.760 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCOCC2)CC1 1749303368 JEBNEAJFZYOAQI-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1749671585 FHGCPAXYKLHASX-QGZVFWFLSA-N 428.512 1.663 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749676827 FQUDGBFSDSXRRN-IBGZPJMESA-N 437.548 1.406 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1749676896 HIBYUBLCLLUSQW-UHFFFAOYSA-N 428.562 1.947 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC)C1 1749697904 NUQWAKDKHQMZNV-WBVHZDCISA-N 435.550 1.727 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1750096737 MKJIKMIROUHVBI-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCCN(C)C 1760192186 GAMZHHOQYKIUBP-UHFFFAOYSA-N 434.544 1.576 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1760193972 ALNLLUJMUJJLPJ-INIZCTEOSA-N 430.534 1.192 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1760202099 SGKRXKCAESUJGU-UHFFFAOYSA-N 440.511 1.631 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1760209994 LKNYXRAFSOTOMI-IAGOWNOFSA-N 429.550 1.125 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)N(C)C)CC1 1760266119 QIJZYZILRRXGFO-FQEVSTJZSA-N 436.560 1.874 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccco2)CC1 1760267991 JDAGXJPXEBRHSS-UHFFFAOYSA-N 449.515 1.272 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1760291069 ZRBMMHVMQSSPKD-MOPGFXCFSA-N 443.470 1.989 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cncn2)CC1 1760313367 MYPCNHBNYSFKMF-OALUTQOASA-N 442.568 1.906 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1760352644 UNPUVFCHLHNZJX-ULQDDVLXSA-N 427.571 1.629 30 10 IDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCN(C)C)CC1 1760388727 YYQRMFDIRADOGJ-UHFFFAOYSA-N 437.548 1.927 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760450887 VBQMZHCZMMAKDB-KRWDZBQOSA-N 427.571 1.584 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760528442 CLXREULHUDEQJK-FQEVSTJZSA-N 442.511 1.008 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CC1 1762291507 IEJLDNVHXNZXIK-UHFFFAOYSA-N 438.536 1.315 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC2(CCOCC2)O1 1763090304 URTWETVNDRLPAE-GOSISDBHSA-N 441.532 1.990 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N(C)C 1768997132 DTPGBDIVFRFGFL-HNNXBMFYSA-N 430.534 1.786 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1770676431 JHVKYMOSMADFTJ-UHFFFAOYSA-N 431.456 1.625 30 10 IDEE CN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C1CN(c2nccnc2C#N)C1 1849513301 PHHHAZZAEJFHIF-LJQANCHMSA-N 440.529 1.239 30 10 IDEE CN(C)c1ncc(C(=O)NCCN2CCC(C#N)CC2)cc1I 1850166296 CENPNUDHMMOITM-UHFFFAOYSA-N 427.290 1.718 30 10 IDEE O=C(NCC#CCN1CCOCC1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 1850242091 NZRRUJULHKEZTF-UHFFFAOYSA-N 431.489 1.692 30 10 IDEE CN(C[C@H]1COCCO1)C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1853053903 GWWSTLQSOLRYRU-FPOVZHCZSA-N 443.525 1.322 30 10 IDEE NC(=NOCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 1853421380 FPJYGZQXUGDICJ-UHFFFAOYSA-N 428.464 1.926 30 10 IDEE COc1ccnc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)c1 1856360541 JTXNNCAKVFLTKH-HNNXBMFYSA-N 425.514 1.582 30 10 IDEE CS(=O)(=O)C1CCN([C@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1857198062 ARIVFLWSLBBCEN-FQEVSTJZSA-N 431.558 1.908 30 10 IDEE C=CCOc1ccccc1OCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1 1868039171 SJOZISVSLHYUKP-QGZVFWFLSA-N 434.514 1.428 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2cn(C)c3cccc(C(=O)OC)c23)c1=O 1873495368 QULAELJOIZSRSM-AWQFTUOYSA-N 429.458 1.193 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 1984785801 HFLURJZRCIWHIZ-RNODOKPDSA-N 425.482 1.483 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637411 LANUNBPGUVKHCF-AEGPPILISA-N 430.314 1.970 30 10 IDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060640496 VXFRTKJMEBPWRZ-ZDUSSCGKSA-N 438.290 1.186 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248402722 AACUHNUQYQSOLS-NSHDSACASA-N 442.322 1.403 30 10 IDEE Cn1nc(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255624993 LAAZRHMAQNXOFZ-KBPBESRZSA-N 434.346 1.752 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2255651719 ZGKBDPPCSFLNGL-KBPBESRZSA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2255701832 XEBMTMMGTCFWAH-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255809237 UQKIIHMWCRHOID-CQSZACIVSA-N 435.330 1.338 30 10 IDEE C[C@H]1[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2255841159 XMNLCTOTAKCTCM-DOTOQJQBSA-N 425.342 1.507 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255846667 KOAOWJZUEMWUBB-UVPYHEFZSA-N 440.346 1.316 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267117506 SOADWZJGQWYBIP-OKILXGFUSA-N 449.361 1.538 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2267182399 GEMZUCOIUCQRIP-CABCVRRESA-N 448.373 1.952 30 10 IDEE C[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267610342 ZHZLKBRNPVZVRV-AAEUAGOBSA-N 442.247 1.305 30 10 IDEE N#Cc1cccc(CCNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286029708 QSLXUEHXUVFUOH-GOSISDBHSA-N 431.470 1.400 30 10 IDEE C#Cc1ccccc1CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286036571 NPAAGZHBRBOSCH-IBGZPJMESA-N 430.482 1.555 30 10 IDEE C#CCOCCCCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2344205842 GLQOWUGICBLMRT-KRWDZBQOSA-N 426.491 1.106 30 10 IDEE CC1(C)OB(c2ccc(CN3CCS(=O)(=O)CC3)cc2Br)OC1(C)C 2349927343 IFOFZODDXKWQCN-UHFFFAOYSA-N 430.173 1.979 30 10 IDEE N#Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 16519916 ONMCYIQJJTZAOU-UHFFFAOYSA-N 429.458 1.411 30 10 IDEE CCn1cc(/C=N/Nc2nnc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)[nH]2)cn1 20838034 XWUQZPXEKIQLRM-AWQFTUOYSA-N 433.586 1.985 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1 27559288 AUCWDQQQXBENLZ-UHFFFAOYSA-N 435.528 1.797 30 10 IDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2C[C@@H](O)c1ccccc1 33528700 QSDAPHOPYWQFRU-CNPYVQQSSA-N 449.427 1.511 30 10 IDEE COc1c(O)c(O)cc(C)c1C(=O)O[C@H]1CC2=C(COC(/C=C/C(=O)O)=C2)C(=O)[C@@]1(C)O 35466100 GJNBQACJJQJHGH-AFRPKSQESA-N 446.408 1.516 30 10 IDEE biogenic COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1cccc(C#N)c1)c(=O)n2C 46077342 XIUHIXCUUMJELP-UHFFFAOYSA-N 433.424 1.270 30 10 IDEE CCc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444380 XHFCWPKYVSZTID-IRXDYDNUSA-N 435.484 1.899 30 10 IDEE N#C/C(C(=O)N1CCCC1)=c1/s/c(=C/c2ccc(O)c(O)c2)c(=O)n1-c1ccccc1 105828184 QOQOGZSQCDJDRK-YNKLFESVSA-N 433.489 1.436 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 109934500 KQLHPYODPCKRFM-BZSNNMDCSA-N 440.525 1.964 30 10 IDEE CC(C)N[C@@H](C#N)Cn1cnc(I)c1I 379777277 GAYXUUAFCYRDRX-ZETCQYMHSA-N 430.031 1.982 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430986154 BNMWHKJQGAZJSG-UHFFFAOYSA-N 433.537 1.524 30 10 IDEE C=CCN(CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)Cc1cccc([N+](=O)[O-])c1 434827187 ITDIABYMWIXVCB-UHFFFAOYSA-N 429.477 1.564 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 441208151 RAIWFELWCXYUFO-HBRVENNYSA-N 431.464 1.886 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 443337805 UFGQAKXTVZYIHL-UHFFFAOYSA-N 434.518 1.092 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)n(C)n1 446931646 RLPJQJVSEPRWHD-QGZVFWFLSA-N 425.541 1.143 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)o1 480932862 IMMBBUGKFDCTSR-MRXNPFEDSA-N 430.526 1.946 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)c(F)c1 481069674 KHTOWCKIILSFLL-UHFFFAOYSA-N 448.495 1.714 30 10 IDEE C[C@@H]1OCC[C@H]1N(CCO)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 483279539 GMVDESQKEZWYRW-ABSDTBQOSA-N 430.549 1.828 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 490333315 VDRCQZPFNLXRLV-UHFFFAOYSA-N 431.499 1.792 30 10 IDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 507289359 FUTJHMOUCPELSB-HXUWFJFHSA-N 439.534 1.177 30 10 IDEE CC1(C#N)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 507828426 STXFQJTZQBHVGE-UHFFFAOYSA-N 432.546 1.452 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 517183120 GSEPSBGJOUVZMG-UHFFFAOYSA-N 428.470 1.038 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 536797293 QTYIOGIYNWXVJI-UHFFFAOYSA-N 430.465 1.509 30 10 IDEE N#Cc1ccc(CS(=O)(=O)Cc2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 546408158 QSJGXYJFRQFLNJ-UHFFFAOYSA-N 425.470 1.955 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 557726372 OQBNIZQAJOJAJL-ZDUSSCGKSA-N 433.480 1.396 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1C[C@H]1CCCO1 580930222 NMLJFIANRHBUGZ-GFCCVEGCSA-N 444.513 1.087 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@H]1CCN[C@H](C(=O)/C=C/c2ccc([N+](=O)[O-])s2)C1 585828413 TZINLOBDXRRKCC-LKEBIXNSSA-N 442.497 1.905 30 10 IDEE N#Cc1cccc(C(=O)N2CCC[C@@H](NS(=O)(=O)c3ccc4nc(O)oc4c3)C2)c1 586073420 AWGOQJQFHQCDIA-OAHLLOKOSA-N 426.454 1.988 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C)c2=O)cc1 603797591 JTTVGKUBHYIJFO-UHFFFAOYSA-N 445.544 1.878 30 10 IDEE N#Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 609230112 VHCNFRJGHQUJFW-UHFFFAOYSA-N 431.489 1.967 30 10 IDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3cc(C#N)ccc3C)C2=O)cc1 734293698 IDXBWSVIGDRFIU-OAQYLSRUSA-N 440.481 1.447 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1C#N 746922300 PTRXUAGJIQYZCN-MRXNPFEDSA-N 431.518 1.624 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCCN3CCN(C(=O)C4CCC4)CC3)cc2C1=O 747754952 IMSHKYIPCPHFMC-UHFFFAOYSA-N 425.485 1.570 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CCOCC2CC2)CC1 751723873 TYHUDYYBTIZKOP-UHFFFAOYSA-N 428.445 1.815 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755186291 QSSQOKLOTSJASR-VFCRVFHLSA-N 438.525 1.488 30 10 IDEE C#C[C@@]1(O)CCN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757468508 ONVNTQALZJTHNL-SQJMNOBHSA-N 448.475 1.965 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)n1 760913025 LMAWLSRHHXTYEP-UHFFFAOYSA-N 435.488 1.332 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1 771536229 CMMUKFMRUMNZMK-AWEZNQCLSA-N 437.489 1.203 30 10 IDEE CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(-c4ccccc4C#N)c3=O)ccc21 774535992 NLDLCUJRNWMPNU-UHFFFAOYSA-N 437.484 1.706 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[C@@H](C#N)c1nnc2n1CCCCC2 777295648 HESUKUUHNRPDKH-HUUCEWRRSA-N 430.509 1.696 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)n1 790526051 SXUMOMGGIMWKOV-SFHVURJKSA-N 432.531 1.352 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 800040217 YKLARBWPFMVUAG-BRWVUGGUSA-N 428.555 1.567 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H]2CSC2(C)C)C1=O 802719775 AAUMYUJWGKEYKN-HRDHQMLSSA-N 449.646 1.886 30 10 IDEE C#C[C@H](N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1)C(C)(C)C 807934905 BLQOLUGFEYZPBE-SJORKVTESA-N 432.594 1.950 30 10 IDEE CCO[C@@H]1C[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cnn(CC)c2)[C@H]1n1cccn1 814709303 YFZYFAJBFJFCHE-UIBIWLFHSA-N 445.549 1.586 30 10 IDEE COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916890212 GPOVIHKDROTYPP-INIZCTEOSA-N 427.910 1.212 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 919753116 AONGPPKXXSWWIL-MRXNPFEDSA-N 430.505 1.863 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C1(c3cc(F)cc(C#N)c3)CC1)CCS2(=O)=O 1134859530 SKVSXLFRWOGOHE-GBXVCHKXSA-N 434.489 1.744 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2=O)cc1Cl 1142898890 SHMWTJSDQDLMHM-JKSUJKDBSA-N 431.924 1.268 30 10 IDEE CC(C)c1n[nH]c(CC2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1144548260 CJCXIFGJQKVRML-HNNXBMFYSA-N 444.561 1.948 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)cc1 1148650126 TYVJTCGMMDBQPH-QGZVFWFLSA-N 428.470 1.674 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)c1 1157637339 CBVZIHVEKLHHDS-UHFFFAOYSA-N 446.550 1.590 30 10 IDEE Cn1ccn2c(CN3CCN([C@@H](C#N)c4ccc(Br)cc4)CC3)nnc2c1=O 1168939701 BSKNEBGCHYOUPR-INIZCTEOSA-N 442.321 1.573 30 10 IDEE N#Cc1ccc(NCC(=O)N2CCC[C@@H](n3nncc3I)C2)nc1 1175732340 JZGGCPPCSAYAOH-GFCCVEGCSA-N 437.245 1.425 30 10 IDEE Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)Cn3cc(C#N)c(O)nc3=O)n2c1 1179366968 SQYXYAPEKDWTSQ-UHFFFAOYSA-N 432.415 1.899 30 10 IDEE N#CCc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1208274019 DMSKNLZYFMBGSX-UHFFFAOYSA-N 445.566 1.937 30 10 IDEE C#CCN(C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCN(C)CC1 1221869242 ZKQYQDZICZEHKE-OAQYLSRUSA-N 425.577 1.623 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1286277448 YPMMXDBSYOHUHZ-MZKRTTBSSA-N 432.613 1.803 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286285278 LTYCRLPCQXLSSD-IIBYNOLFSA-N 440.529 1.138 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)N(C)C 1286368760 QEHKRHXZUDTLQF-UHFFFAOYSA-N 440.367 1.977 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2COCCO2)CC1 1286473023 NOHZSDYPHIPJTJ-MRXNPFEDSA-N 449.353 1.217 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)N1CCSCC1 1286563241 OJWXNTNOAYZOGP-UHFFFAOYSA-N 444.627 1.197 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286612003 UVNWWDQMFFXLSR-IBGZPJMESA-N 443.552 1.788 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286703250 GUKIRNXHECVHNB-UHFFFAOYSA-N 435.598 1.872 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286783835 NGDRHKOBDCBSNT-HDICACEKSA-N 442.564 1.801 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1286787037 BCCUYLXCCCHGSN-IRXDYDNUSA-N 445.593 1.814 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1286818985 VPULFFUJAVZWAB-SFHVURJKSA-N 444.565 1.626 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286825503 RJZLORFYNBXDOX-OAQYLSRUSA-N 445.593 1.919 30 10 IDEE Cc1ccc(OCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1289840603 FOCWPCHWTKWQOY-FUHWJXTLSA-N 448.549 1.395 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)c1 1290630322 KORPFAZFEPZMBD-UHFFFAOYSA-N 434.539 1.500 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC1CCOCC1 1290864869 CAXGRDNDMNMOFE-MRXNPFEDSA-N 426.525 1.549 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1295174225 KVLBBUBPDFBSIN-GOSISDBHSA-N 430.534 1.356 30 10 IDEE CCN1CC[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(CCC#N)CCOC)C1 1296043147 RSPNJTJQKCMZCB-INIZCTEOSA-N 429.525 1.714 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H]3C(=O)N=S(C)(C)=O)ccc2c1=O 1299033723 WINVCIZIMAAKIC-HNNXBMFYSA-N 434.543 1.730 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)C(C)C)c1 1300332787 OATOTHATNZZQAH-WZONZLPQSA-N 438.532 1.692 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1300455465 KDYSKCVOPKASBO-KRWDZBQOSA-N 433.516 1.520 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1 1300505784 JALJMFCYNHWFKZ-NRFANRHFSA-N 434.544 1.563 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1300641087 AMSBAEOXRBUXMJ-OAQYLSRUSA-N 434.537 1.904 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(COCCOC)cc2)CC1 1300700875 YJZKITMRESCXLF-QFIPXVFZSA-N 439.560 1.749 30 10 IDEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CCOCC2)c1 1300992154 MVHRNIVYHKMGOZ-UHFFFAOYSA-N 441.509 1.689 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCC)CC1 1301491829 ZTMDUQWREFIHDL-UHFFFAOYSA-N 428.541 1.114 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1301510359 VJAFGKSVIKFWET-HKUYNNGSSA-N 429.521 1.708 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)C1 1301554561 IIKSWRFRGHNRIU-MOPGFXCFSA-N 431.585 1.038 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1301769743 DOOMCFJGFGOVKX-JOCHJYFZSA-N 443.502 1.614 30 10 IDEE CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1302369344 MXXMEBAVFMJENU-KURKYZTESA-N 429.546 1.695 30 10 IDEE Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304824285 FHMPFWUSCNYXFM-BQASMSSTSA-N 445.524 1.559 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305551829 MNKQGTCABATVGO-NMQZXRHPSA-N 427.553 1.993 30 10 IDEE CCc1ccccc1NC(=O)CN(C)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1305971395 OWGWKTYCFKEODW-MRCUWXFGSA-N 437.504 1.750 30 10 IDEE Cn1ncc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)n1 1314932422 AUKBSYSOXSFIIC-SFHVURJKSA-N 426.456 1.486 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1316285707 SCDVOOKDHPFIDK-OEMYIYORSA-N 434.516 1.703 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2COCCO2)cc1 1316533136 FDOBZVAYSZPTPU-HKUYNNGSSA-N 440.504 1.236 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCCSCc2ccccc2C#N)[C@H]1c1nccn1C 1351892928 BPWOEYINGAXCRV-OALUTQOASA-N 427.530 1.630 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(O)CCC2)CC1 1359046165 HCDPJUKEHWYPBW-UHFFFAOYSA-N 442.589 1.905 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)SC)CC1 1359179505 WXNLHLWGZFCJSS-HOCLYGCPSA-N 429.612 1.765 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359187146 CVYWUERFFHHKND-HUUCEWRRSA-N 441.540 1.363 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359291379 OEUTWNWGOWFVDY-UHFFFAOYSA-N 447.490 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1359329067 XQHPHEDJDVISEN-UHFFFAOYSA-N 430.534 1.378 30 10 IDEE C=CCCn1cc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)nn1 1439261015 ABLLCUKDJUFEHF-LRAJWGHMSA-N 433.509 1.773 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H]3C[C@]3(C)NC(=O)NC3=O)n[nH]2)c1C 1449339910 GFMJRYUABMWRBX-QKKBWIMNSA-N 425.493 1.669 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1464128423 KUYIPPNQPHTEKM-MDZDMXLPSA-N 427.482 1.493 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)N(CC#N)CC#N)c1=O 1464716755 DWOLSUYLAQNTTL-UHFFFAOYSA-N 438.282 1.625 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c1 1469698174 HFQFMLAOEJVJMR-UHFFFAOYSA-N 434.514 1.110 30 10 IDEE N#Cc1ccc(CC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 1472911530 LUVMETCSYDJAHK-UHFFFAOYSA-N 445.453 1.678 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1494105929 FMUPWBLWECWZEP-INIZCTEOSA-N 430.516 1.993 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC[C@@H]1COCCO1 1494137684 UGJZUDUXHGYJNI-DLBZAZTESA-N 440.552 1.758 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)CCOC 1503109191 OZFXYKFUEBXBPP-NRFANRHFSA-N 429.525 1.195 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1503280674 QQHLTANFYNDFQB-VQIMIIECSA-N 443.577 1.429 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1504263287 GALYSHUKZOCAIN-IFXJQAMLSA-N 433.538 1.470 30 10 IDEE CS(=O)(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505134609 VBCPDLRAVMFCPR-QGZVFWFLSA-N 445.549 1.158 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507634639 ZZYJTIHGFHPDDJ-QUCCMNQESA-N 443.573 1.523 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1507657692 XEKNYBFFMPVTMK-INIZCTEOSA-N 445.570 1.167 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)on1 1507680269 BKTNODQBBRMWLL-UHFFFAOYSA-N 428.518 2.000 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)NCc2ccccc2)CC1 1507724010 CWLNCFICYOWCKM-UHFFFAOYSA-N 443.555 1.726 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1507734100 QZMMJKBYMFPXQZ-UHFFFAOYSA-N 430.597 1.603 30 10 IDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507835479 BUMHKBCYMDKDKL-UHFFFAOYSA-N 438.554 1.634 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507853228 HOYCAOIRIGMQAW-CYBMUJFWSA-N 447.993 1.271 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3nccn3C2)CC1 1507895950 FSNWGZBXJJMWJM-WBVHZDCISA-N 433.582 1.750 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)CC1 1507903221 RNBYCXHKYSMGAZ-MRXNPFEDSA-N 425.555 1.050 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1507914983 QXHUZCQASZLBTQ-OAHLLOKOSA-N 426.587 1.549 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508073149 MELOADWXBCECLB-SFHVURJKSA-N 447.561 1.659 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508088548 YWJQKCUCDYTQQM-MRXNPFEDSA-N 429.912 1.038 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1508137689 QDVIVYXEMBPMKI-KRWDZBQOSA-N 446.577 1.684 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1508137996 URVBVWOPMLWWSZ-OAHLLOKOSA-N 444.561 1.738 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1508421622 BWYCTHHGZGLKOK-VKJFTORMSA-N 442.611 1.493 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1516732587 JDVSCHVSVOKHBB-SFHVURJKSA-N 437.504 1.620 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(F)CCC2)CCO1 1517545978 OUJAZWYRUWQTAU-GOSISDBHSA-N 442.495 1.962 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(OC)CCOC1 1519165952 DAXOUDDEIYPSPC-QFIPXVFZSA-N 443.504 1.888 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)COc2cccc(Br)c2C#N)[C@@H](C(=O)OC)C1 1536538962 IATBGBAJZZSJMN-BXUZGUMPSA-N 439.262 1.653 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCSCCCO 1539178087 DQSDFIMUVIIEQK-INIZCTEOSA-N 439.582 1.772 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539224137 CNRBXNJJFVPPRK-UGKGYDQZSA-N 446.548 1.904 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCO[C@@H]1CCOC1 1539315795 UQLPBMZXZVRFEL-QGZVFWFLSA-N 425.489 1.664 30 10 IDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1539749964 FMFGQYNBBIBPDD-RBUKOAKNSA-N 443.504 1.335 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C)C1=O 1540054319 PCMUIWCAJZPZJE-FQEVSTJZSA-N 432.550 1.296 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540868125 SKKBLUWUKUJKPI-CYBMUJFWSA-N 437.426 1.147 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1540871395 KUAFOZOMQDGXNB-JKSUJKDBSA-N 431.566 1.424 30 10 IDEE Cc1cccnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1542786414 IJYMXRHZKRKEMQ-UHFFFAOYSA-N 445.531 1.761 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNc1ncccc1C(F)(F)F 1543155739 DSPQVSCBHOLLQR-UHFFFAOYSA-N 427.408 1.367 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c([N+](=O)[O-])c1 1543880078 WQAGDZWDXUBHHT-AVYPCKFXSA-N 432.502 1.977 30 10 IDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1554272717 BWSKNCVGGSZKJT-LJQANCHMSA-N 446.577 1.840 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555426855 NSEGWXHQJGMDKY-PGRDOPGGSA-N 442.520 1.842 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OCC 1557934169 HBNBDFLOMOVKAC-MRXNPFEDSA-N 435.864 1.685 30 10 IDEE C#CCNC(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1566002106 QVXAVFKQNLZEST-XTXPQADFSA-N 425.504 1.273 30 10 IDEE N#Cc1cccc([C@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C(F)(F)F)c1 1583134994 QEINKVNGHCGZSU-CJNGLKHVSA-N 442.419 1.443 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588064780 PDTYSCKNUZKDDW-OALUTQOASA-N 431.562 1.562 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594819359 CHEQFIOLOMOCPK-KRWDZBQOSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(OC)CC1 1595538086 ZBDAXNLBZDFFEE-NRFANRHFSA-N 430.509 1.703 30 10 IDEE COC(=O)CCN(CC#N)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 1595585391 VVGZFLQZTXNFFQ-LBPRGKRZSA-N 431.308 1.774 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2=O)cc1Cl 1596429662 BWWMTVBOFDBIQC-OAHLLOKOSA-N 442.907 1.466 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597268254 BDZPCYFVOMXVJZ-WUKBZCGHSA-N 441.536 1.110 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1610997821 RCAPIXAATOPOMZ-YJBOKZPZSA-N 449.533 1.323 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1611796629 VCCQCQUUNRNOIW-DXQAYGFFSA-N 444.536 1.702 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1619023160 FYQYZAMDZCWKQC-OAQYLSRUSA-N 447.561 1.883 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1620065951 GISZSEGVLFIWNZ-CVDCTZTESA-N 440.548 1.373 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCCO2)CCO1 1620354505 GSTXYTJFVFCZTQ-SJORKVTESA-N 441.492 1.240 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)cc1 1624669274 HDDMPYLTYUAKNJ-UHFFFAOYSA-N 438.513 1.201 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 1626918769 YDFOTEFAOROPET-OAHLLOKOSA-N 434.539 1.964 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 1627381357 IIUQVNMHVHMDPP-AWEZNQCLSA-N 441.509 1.875 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)C1 1628332011 DXGQAPDITNUDHG-VQTJNVASSA-N 430.549 1.474 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C12CCCC2 1628578853 QLUDBMWUAGZWEL-HNNXBMFYSA-N 431.493 1.649 30 10 IDEE Cc1nc(CN2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)n[nH]1 1629835785 NSTOGFVXGBKACN-UHFFFAOYSA-N 444.337 1.528 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]4CCNC(=O)[C@@H]43)CC2)cc1 1633106309 JDDCPYQVUHHSAA-VQIMIIECSA-N 430.530 1.086 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1634555011 NUBWZYPJNKFJJN-HNNXBMFYSA-N 425.938 1.188 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)c(SC)c2)CC1 1636480386 OUNQBCPNJLXWMZ-UHFFFAOYSA-N 432.365 1.396 30 10 IDEE COc1cc(OC)c2ncc(C#N)c(NCC(=O)NCC(=O)NCc3ccccc3)c2c1 1643163975 QCJYSHFCXYJZLF-UHFFFAOYSA-N 433.468 1.968 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1644579931 DVULMWMUWKBJNB-KBXCAEBGSA-N 430.486 1.383 30 10 IDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 1653144462 BOLDXKJMMJDRHO-RDJZCZTQSA-N 448.545 1.399 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OCC 1671199119 MAEYXQKLDWSQOB-LBPRGKRZSA-N 447.307 1.956 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)c1 1682183505 GZJMWTAEDXHONF-GXTWGEPZSA-N 426.520 1.243 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1682226673 OMCRBARARIZQNX-GRWKNNQQSA-N 440.422 1.802 30 10 IDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1683480576 HWRHIDRLDLAZJZ-YLJYHZDGSA-N 438.488 1.358 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2)c1 1684751038 RRIMKFSWWXVMCV-HSZRJFAPSA-N 434.544 1.994 30 10 IDEE N#C[C@]12CN(C(=O)NCc3ccc(COC4CCOCC4)cc3)C[C@H]1CS(=O)(=O)C2 1685829478 GHJIJWQHIKSWSJ-GHTZIAJQSA-N 433.530 1.462 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCOCC1 1689835544 OLONJRKBTZDUEZ-OAHLLOKOSA-N 427.505 1.702 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(N(C)C)CCSC1 1689960114 ZHVXNCZZPFIBLR-FQEVSTJZSA-N 447.634 1.745 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986370 OGPVFILIXBYUQD-HKUYNNGSSA-N 430.578 1.251 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1690001955 WAHXSLSANULHOJ-CYFREDJKSA-N 437.544 1.956 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc3c(c2)CCO3)CC1 1690111992 ODFOKNUQQHLUOM-LJQANCHMSA-N 439.560 1.935 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cccc(F)c2)CC1 1690112488 YWEJYGLECRYMDV-KRWDZBQOSA-N 448.568 1.415 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1690122557 VJSDJNUECBKLRV-NQIIRXRSSA-N 436.560 1.872 30 10 IDEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O)C1CC1 1690545236 MGBCFUOJPMSVAA-GOSISDBHSA-N 433.534 1.885 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1690643487 CEVVBZNKTZJSDW-VQIMIIECSA-N 449.577 1.960 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Nc2cccnn2)CC1 1690672717 ATSTZMDQMKMOSU-UHFFFAOYSA-N 433.520 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC 1690724237 KSGANZVUBSLLJN-AWEZNQCLSA-N 445.542 1.185 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N 1697021456 SLDZNPXBWOVDLF-NSHDSACASA-N 444.359 1.334 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc([C@@H](C)O)cc1 1698255451 SKPSZLBVAJBXOO-NMLACTOBSA-N 427.505 1.832 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1705604029 DEURUQOKIFNFPB-OAHLLOKOSA-N 442.586 1.605 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[S@@](=O)CC)CC1 1705633913 BQGCSKHPQLCBQT-SANMLTNESA-N 439.383 1.560 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@H]1C 1705657280 ZHUSFYUAYQGVQR-OAHLLOKOSA-N 427.530 1.750 30 10 IDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1705718929 FELYVIKVGUORLI-VXPUYCOJSA-N 427.509 1.329 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728399 JCRPBRYCUYSZCG-QHCPKHFHSA-N 448.612 1.885 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1705829362 OODPKSUSEMPNCC-INIZCTEOSA-N 431.566 1.995 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705899341 PNXRBSRFSXYOJM-UHFFFAOYSA-N 443.515 1.544 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705901357 JCADOIOPEJDECW-MOPGFXCFSA-N 443.596 1.624 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705903384 UNOHBGRIMVBKQM-GXZWQRSESA-N 432.525 1.188 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cnn(C)c1 1705933586 MDZWDDNOYUTEHY-UHFFFAOYSA-N 430.534 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705935559 VOPKCNOBMULBPY-HNNXBMFYSA-N 438.554 1.737 30 10 IDEE C[C@@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1707983621 BIEFWNPHLXKDLX-AEFFLSMTSA-N 444.561 1.713 30 10 IDEE CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1709308012 HHHAGJHHAYGUHV-UHFFFAOYSA-N 432.550 1.904 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1711432214 JSZBLTWUNJWLPD-MXLIYFDZSA-N 442.520 1.852 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1711445342 AGIBZEXUWOUCJM-KRWDZBQOSA-N 446.533 1.144 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712884312 JXRFHDJQQZMMNS-QZTJIDSGSA-N 447.490 1.349 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)C(=O)NC)c1 1722309747 PDNGNUWBCLFODZ-QGZVFWFLSA-N 438.532 1.610 30 10 IDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCNS(=O)(=O)Cc1ccon1 1722351178 JJQHYUSPLYLULJ-UHFFFAOYSA-N 432.481 1.185 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1722372548 YWDDSJKJYVGXSJ-GOSISDBHSA-N 433.578 1.260 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722396438 GFRPDCYWOMOCSC-HXUWFJFHSA-N 439.585 1.922 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1722413913 SLWGNQDZHLIXNL-IBGZPJMESA-N 446.577 1.207 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCCOC)CC1 1722436727 LGSPVFAMHDXVNF-FQEVSTJZSA-N 440.548 1.396 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2F)CC1 1722446917 BMTOAZQDCQXSOE-LJQANCHMSA-N 438.507 1.691 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1722448844 ZRFAYLXBMIOWCC-MOPGFXCFSA-N 429.565 1.953 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722671595 YKAJNHCVQRRCAU-LSDHHAIUSA-N 428.459 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722729067 DSOVRHRDWZFASM-UHFFFAOYSA-N 438.623 1.782 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1722751776 URBFSJRXLTXZOE-FQEVSTJZSA-N 445.589 1.629 30 10 IDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1722775071 FVVNUIWVHOTORC-UHFFFAOYSA-N 439.520 1.312 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1723780532 SHCHZKSBRJCMNA-GVDBMIGSSA-N 446.581 1.321 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1726528799 HXWOSHGEHOVPMC-FPDPHYFHSA-N 429.546 1.991 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCn2ccnc2C)CCOC1 1728817982 OSADCCBZRDFSIJ-GHTZIAJQSA-N 429.525 1.644 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(Cl)nc2)CCO1 1729680448 DWFKWGHYWLVCAU-QGZVFWFLSA-N 437.891 1.865 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCS(=O)(=O)CC1 1730931731 AIQJWWJDNFZTMX-XIRDDKMYSA-N 425.555 1.423 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOCCc2ccccc2)CCO1 1731187053 WWVNVAWXXYFNKR-FQEVSTJZSA-N 438.532 1.892 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740620857 SJYQACYRXNZPKO-APWZRJJASA-N 426.546 1.394 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cnn(C)n1 1740676524 FTQKQVXINKUPMB-IBGZPJMESA-N 436.495 1.769 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCCC2(C)C)CC1 1740689681 YXTPHXHNHXLYBI-HSZRJFAPSA-N 430.597 1.893 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(C)c2)CC1 1740689722 ZHQMFYWNVPAEEO-UHFFFAOYSA-N 449.559 1.008 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740704908 VZOXPVXOFVREKH-AOMKIAJQSA-N 425.537 1.196 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740715574 CCCWZXWQPGICQY-HNNXBMFYSA-N 429.550 1.845 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@H]2C1 1740739596 WKEGGZBJMZSGTJ-STQMWFEESA-N 429.319 1.125 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740988763 OSFRHUWXBLPDSN-IRXDYDNUSA-N 443.485 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740991645 AUKNKQLRSZMZFO-IAGOWNOFSA-N 439.582 1.268 30 10 IDEE C[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1743043999 SGWCDHFSOGLZLD-OSCRUYLVSA-N 441.536 1.667 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1746581170 SHKVWTOWBDTAIR-LJQANCHMSA-N 442.520 1.931 30 10 IDEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1748727860 XUEJOCWLHSFHIJ-UHFFFAOYSA-N 435.525 1.881 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2-n2ccnc2)CC1 1748978624 PZHPIGNTDJLXIY-HXUWFJFHSA-N 449.559 1.991 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)[C@H](C)CC)CC1 1749016519 FUHGDQHEGUQUBK-LJQANCHMSA-N 437.592 1.960 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749020003 HVGLJOCLVOSWFR-MRXNPFEDSA-N 431.566 1.933 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1749428151 ZUEQJKAPWHDSCZ-XHSDSOJGSA-N 429.612 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(=O)COC)CC1 1749657613 CFVCUXBBNSPLJN-UHFFFAOYSA-N 447.927 1.027 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1750058986 ACSGCKUHBOWZTJ-PKOBYXMFSA-N 445.545 1.493 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1760186968 BOWYLMKCYFJATK-QXAKKESOSA-N 444.561 1.287 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1760189515 VAVDIGJMTBWALP-SFHVURJKSA-N 428.562 1.904 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760205393 AGBFMEMXZQVPQO-QYZOEREBSA-N 425.512 1.201 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2C[C@@H]2C)n1 1760251477 BDQQKXMPMXBXGO-JZXOWHBKSA-N 432.550 1.244 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760347779 XCYDOHYJYPZQIE-HXUWFJFHSA-N 445.612 1.208 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2(=O)=O)CC1 1760397188 OKAHJPWGEQKGGA-GDBMZVCRSA-N 445.611 1.258 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760525437 GDEQCZLDQOXXKC-OLZOCXBDSA-N 440.595 1.194 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCOCC2)C1 1760547984 VOOBUFXLPRVJSM-WCIQWLHISA-N 435.569 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760551974 YCEBVPOOCFXIHK-AWEZNQCLSA-N 428.536 1.071 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1765589990 VHFISQJMDHLJMG-MSOLQXFVSA-N 435.532 1.694 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)C1 1765672154 JGKAYLDQUGJYBP-LJQANCHMSA-N 442.545 1.681 30 10 IDEE CCCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)cc1OC 1765871539 NGQPCJNYQWXDHO-KRWDZBQOSA-N 442.520 1.950 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1766879876 BCXIJBGSJAPVGC-UHFFFAOYSA-N 447.547 1.314 30 10 IDEE CCO[C@]1(c2nnc(N3CCCCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1767463962 NNMFJSJLQBUGNI-ZSVKVYQISA-N 444.536 1.837 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768166774 QBAIHXFXSGKTIJ-GNDBUYPCSA-N 437.504 1.872 30 10 IDEE COc1cc(F)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1768349409 FCBODQDTJZZZNC-KPZWWZAWSA-N 440.476 1.526 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1770016767 KQCZQZXCAYBWFH-DOTOQJQBSA-N 430.509 1.868 30 10 IDEE CSC[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1770521495 MWVGZPHHXLASHP-ZFDMEJTGSA-N 447.565 1.275 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1=O 1771135452 BNKHNYZKSIPKOO-GOSISDBHSA-N 437.548 1.596 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#CCN1CCc2ccccc2C1 1850064042 UVYSLYHORRUSAW-KRWDZBQOSA-N 429.517 1.670 30 10 IDEE C=CCOc1cc(OCC=C)cc(C(=O)N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1 1851601434 FFOVHBONEFHWKF-UHFFFAOYSA-N 432.502 1.686 30 10 IDEE Cc1nc(C(=O)N=c2ccnc(N3CCN(C)CC3)[nH]2)c(C#N)c(C)c1Br 1852393462 ZUVWIDTXSHPGCX-UHFFFAOYSA-N 430.310 1.549 30 10 IDEE Cc1cc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)ccc1F 1853952624 DPHKXRXFZVPFKA-UHFFFAOYSA-N 429.473 1.998 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)CN3CCN(S(=O)(=O)CCCC)CC3)cc21 1858630716 XQDHZWSEVCUWMG-UHFFFAOYSA-N 435.546 1.528 30 10 IDEE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)nn1C 1867101494 DODHUILKHOXLEC-GOSISDBHSA-N 437.431 1.836 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)C1 1993668707 OIYASQRDGKXISU-UHFFFAOYSA-N 425.526 1.946 30 10 IDEE CC(C)(C#CC(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1993920578 DOTUXHOTFCMMMA-UHFFFAOYSA-N 425.526 1.828 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060623350 LIUXPNVZYIQZQX-CYBMUJFWSA-N 436.318 1.379 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1C#CCO 2164496936 NROSZUURWXSXQK-NRFANRHFSA-N 430.457 1.797 30 10 IDEE CO[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)[C@@H]2COC[C@H]12 2172781113 ZLGRXPSZAPLPNG-NWANDNLSSA-N 425.132 1.993 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194173585 PGABUIFBGCWGMO-BMIGLBTASA-N 447.164 1.825 30 10 IDEE Cc1cc(C#CCCO)c(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s1 2237726601 XKWCDDVDOHRYBN-UHFFFAOYSA-N 446.550 1.848 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)B1OC(C)(C)C(C)(C)O1 2243416754 MPEUNFXEVRFDSD-QDMKHBRRSA-N 428.360 1.959 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905869 JYJOIMBSHALTII-VXGBXAGGSA-N 439.343 1.464 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255624227 WQFZPWYDMNVPQG-KBPBESRZSA-N 434.346 1.895 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 2255649449 JQYNCEUVBUYQSX-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255844522 XZTXBOQAPZYPKM-NRFANRHFSA-N 432.330 1.905 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2256913783 NVRYLLJOJIWXQM-UHFFFAOYSA-N 425.294 1.981 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2259927280 WOPIUNREDWNMJS-ASSNKEHSSA-N 432.330 1.696 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267003590 QZLINFZCWPDDIA-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@H]1NC(=O)C(F)(F)F 2267183180 MCNIECDSQFDRKP-WCQYABFASA-N 444.263 1.248 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2267494774 HFGKCDUDWULWPZ-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)CCO2 2272931585 HNLQFVANCWGFIM-UHFFFAOYSA-N 448.329 1.171 30 10 IDEE COc1nc(O[C@H](CNC(=O)OC(C)(C)C)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2317548416 BMEOKTXNRBWRRQ-CYBMUJFWSA-N 438.286 1.746 30 10 IDEE COc1ccccc1OCC#CCNC(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCC3 90729816 UTHFFXBNYWTKFW-OAHLLOKOSA-N 425.510 1.976 30 10 IDEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 102740350 MYYBTPHYULJDBX-LCPUNJGISA-N 441.459 1.983 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CCC2CCOCC2)CC1 431527738 GQHWIBHKSYRJJW-UHFFFAOYSA-N 427.548 1.011 30 10 IDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 467156092 WWEMEGSEPZWBST-ZDUSSCGKSA-N 426.489 1.590 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C 467836977 VGPOGHFPMFYBJI-YRNRMSPPSA-N 440.525 1.531 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 482306943 DTFRUDUOBTYHJR-XJKSGUPXSA-N 437.468 1.471 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 492437878 YBQHXCSGQZVHOQ-CQSZACIVSA-N 439.343 1.793 30 10 IDEE CN(CC(=O)Nc1cccc(F)c1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504584288 HDBPRHUUOREAQE-GOSISDBHSA-N 437.431 1.999 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508955981 LPWLSYTUGUSMSP-QHCPKHFHSA-N 433.516 1.967 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)c1 522647615 XTTCUCWEVFLOAH-UHFFFAOYSA-N 444.491 2.000 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@H]4CC[C@H]3CC(O)C4)nnc12 530885338 WCGAMGUOSYXHSU-KBPBESRZSA-N 425.514 1.837 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCOC2)c1=O 533544942 YZRIJBUURDZTHX-ZDUSSCGKSA-N 430.551 1.889 30 10 IDEE N#Cc1ccc(OC2CCC(NS(=O)(=O)c3ccc(OCC(N)=O)cc3)CC2)nc1 585354433 ULQYPNAPPOGGPU-UHFFFAOYSA-N 430.486 1.486 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 590914715 WWFPLBJSRLTXOS-HNNXBMFYSA-N 431.583 1.734 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCCO1 603800617 ZOSFMCVVRNIWCV-INIZCTEOSA-N 447.944 1.008 30 10 IDEE COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(C#N)cc2F)cc1 611643077 GHQGLNRQMSZBJN-KXBFYZLASA-N 433.461 1.146 30 10 IDEE COc1cccc(N2C[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2=O)c1 725745773 HBRLIAJUSBCBPQ-CQSZACIVSA-N 442.497 1.046 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@H]1CCS(=O)(=O)C1 729333914 BVHLMDSDAYRHAR-ZDUSSCGKSA-N 439.490 1.217 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC1CCN(C(=O)c2ccccc2)CC1 739002323 HYGDAFXZTKRKDY-FMQUCBEESA-N 425.489 1.364 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1=O 742127472 XXPFAMSDUQGKMQ-HNNXBMFYSA-N 430.461 1.345 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cn1 766425286 YOMKRYLDBXAKBZ-INIZCTEOSA-N 443.533 1.080 30 10 IDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 769936017 SYTLIECCMTTYEX-XOBRGWDASA-N 433.871 1.445 30 10 IDEE C#CCN(C(=O)N[C@H](c1ccc(C(=O)OC)cc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 776018750 DHGRHLFAPJFTTR-LSDHHAIUSA-N 432.420 1.909 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 779661771 YBLZUCCGBVLTEQ-WBVHZDCISA-N 429.525 1.878 30 10 IDEE C#CC[C@]1(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 804190257 SNQVGDJNAAZNPY-OXQOHEQNSA-N 427.567 1.662 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 804457266 RDZZVYMNDYHHQT-MSOLQXFVSA-N 425.510 1.438 30 10 IDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1CC)[C@H]1CCS(=O)(=O)C1 812026057 GZTPJFLMZVMDTI-ZDUSSCGKSA-N 426.340 1.693 30 10 IDEE C[C@H](C(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1)n1cnc(C#N)n1 812772760 ICWHOBYJLIBXQT-KLAILNCOSA-N 431.541 1.691 30 10 IDEE N#CC1(NC(=O)COC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCCCC1 915450355 OPJNKWKSRKREDR-UHFFFAOYSA-N 444.307 1.596 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 916178965 YUEMREGUDARWAD-UHFFFAOYSA-N 441.490 1.866 30 10 IDEE O=C(C#CC1CC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1137710652 OJXUIYRTBRESNJ-KRWDZBQOSA-N 433.530 1.650 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CCNC(=O)N(C)C)cc2)c1 1151003707 ASJJWIXZUQQQSM-UHFFFAOYSA-N 428.514 1.664 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3csc(N4CCOCC4)n3)C2=O)cc1 1156591581 FOGWPMFNBUWBKT-GOSISDBHSA-N 425.514 1.311 30 10 IDEE COC(=O)c1nc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1Cl 1165924232 QTTDMLCIPZASKP-LLVKDONJSA-N 436.877 1.376 30 10 IDEE CN(c1ccc(Oc2[nH]c(=O)n(C)c(=O)c2C#N)cc1)S(=O)(=O)c1ccc(F)cc1 1184546920 CYTZPJXKIIXDAQ-UHFFFAOYSA-N 430.417 1.702 30 10 IDEE C#CC[C@@H]1CCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1226341039 NEMLJOYUDOFWFO-JOCHJYFZSA-N 426.561 1.827 30 10 IDEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1272911074 ILQBKMBALYRGIE-QVKFZJNVSA-N 447.513 1.981 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(OC)cc1 1286272261 AOMBUQXIZRPWIA-JYJNAYRXSA-N 435.550 1.822 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1286480211 RWZJSODIFBSDAI-CTNGQTDRSA-N 435.576 1.505 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286584855 OJCRDIKCPRQAMI-UHFFFAOYSA-N 440.508 1.076 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286602406 YWBBWKLRKOOIRL-GOSISDBHSA-N 436.520 1.695 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286825223 OFYVPMFYATWLOI-QGZVFWFLSA-N 431.566 1.745 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1289081929 JMPMPCRYYUHZNF-MRXNPFEDSA-N 427.509 1.974 30 10 IDEE Cc1c(Cl)cccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1289269407 YQXBINNIZZCULS-HZPDHXFCSA-N 435.937 1.919 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(CS(C)(=O)=O)CC1 1297187834 DVQHBAUVJAXCHK-UHFFFAOYSA-N 446.533 1.174 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1297787214 HNTXHDLXNYGSGQ-UHFFFAOYSA-N 448.549 1.283 30 10 IDEE C#C[C@@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccc(Br)cc1 1298542065 RMDNDEYVCANVKE-CYBMUJFWSA-N 433.287 1.849 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1298691575 UIIISPOYUFHSES-UHFFFAOYSA-N 446.533 1.530 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1300308479 CCHPCEDCIBNKOE-IEBWSBKVSA-N 447.561 1.456 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1300381830 WLFGZKVDRRIUNU-BEFAXECRSA-N 425.555 1.076 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1300512949 OPEGJVVZMJXKNZ-OFNKIYASSA-N 429.565 1.360 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCn1ccnn1 1300649025 JLVDLQXRCXMSRN-UHFFFAOYSA-N 436.495 1.861 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300751886 VJVRWCQDUUXALL-UHFFFAOYSA-N 444.586 1.655 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300767977 IMVYFORUDBCKTD-UHFFFAOYSA-N 446.621 1.951 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1301370797 JSPHQOWNRIVRSN-JOCHJYFZSA-N 446.621 1.900 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1C 1301477435 AOSIMGBMDNWKKB-AEFFLSMTSA-N 446.577 1.840 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1301498437 ODAJRVWDZKNLHC-INIZCTEOSA-N 439.476 1.609 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1301500624 NXBKZSYNYWXBCF-OAHLLOKOSA-N 430.475 1.896 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCOC2)C1 1301509205 CENMGERMMVDQQD-FQEVSTJZSA-N 430.534 1.189 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301553632 POUSLIGJDSPWGA-SJORKVTESA-N 432.550 1.545 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301587234 XOWNFXNBMUNYBZ-RBUKOAKNSA-N 447.561 1.634 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301617778 HKLRLDDFANRKOG-CQSZACIVSA-N 448.574 1.830 30 10 IDEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1305603308 BGJZRXCTWZKZDJ-KRWDZBQOSA-N 445.593 1.629 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)C[C@@H](C)O1 1315822819 COVHXTYQWJUDIF-SUMDDJOVSA-N 433.484 1.953 30 10 IDEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1316478841 KNCVRTXDKVZKRU-UHFFFAOYSA-N 444.561 1.777 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2nc3ncccn3n2)c1 1354585795 AJTCLFUPMINGIW-LFVJCYFKSA-N 427.490 1.970 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1358890074 KPXRERRXPKSDKH-BBWFWOEESA-N 439.582 1.799 30 10 IDEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358925988 YDAKCDMKGOTQOE-UHFFFAOYSA-N 426.496 1.671 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358962867 YLCDNFTYUNLONR-QZTJIDSGSA-N 427.530 1.213 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccccc2OC)CC1 1359028304 NVCILTIJNNHTPR-GOSISDBHSA-N 440.548 1.648 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1359035516 WGDQUDQYFZMSKW-PXNSSMCTSA-N 438.532 1.461 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1359052548 IRXVWUNWUMEUEE-OAHLLOKOSA-N 443.529 1.970 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359054677 CZLJZNHDNBOWOH-UHFFFAOYSA-N 449.606 1.352 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359304136 NOGOTVMMCJNNDS-QHCPKHFHSA-N 438.532 1.635 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)C1 1359325078 XOZBVOYGWIENEQ-GOSISDBHSA-N 430.553 1.584 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359330086 GLVZVFVXKZFAOY-UHFFFAOYSA-N 444.561 1.390 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359343451 TYERDAIWEMMHQD-SFHVURJKSA-N 434.610 1.446 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C 1360542433 VXMCWBKOPHTCIV-HRAATJIYSA-N 428.562 1.782 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[S@@](=O)C(C)(C)C 1360677546 FEIYQBIEUDMQAI-HJFSHJIFSA-N 444.627 1.566 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C3(CC(=O)OC(C)(C)C)CCOCC3)CC2)c1C#N 1435914347 WFDIFSFUHDOWFC-UHFFFAOYSA-N 431.537 1.777 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC1CN(S(C)(=O)=O)C1 1448167206 WPHJKRRDEWUEKY-SFHVURJKSA-N 448.545 1.400 30 10 IDEE CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1453518687 SMHDWQJAODBWMA-CVEARBPZSA-N 447.540 1.417 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCc2csc(C)n2)CC1 1455114988 JTEZLRLCDSWNED-UHFFFAOYSA-N 434.543 1.256 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCS1(=O)=O 1456190783 OYCXOCJLLCFVTN-OKLHXDLCSA-N 425.551 1.855 30 10 IDEE N#Cc1ncc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)nc1C#N 1458066375 BCPDSHFUHXNCTA-UHFFFAOYSA-N 431.378 1.879 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3=O)C2=O)cc1 1460925530 VZLXBPIOJRGECS-RBUKOAKNSA-N 449.442 1.824 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1462702165 KEXTYWUOIWYQCJ-IBGZPJMESA-N 440.525 1.619 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1469536013 WNMQZVJRTHZEEY-OXQOHEQNSA-N 442.541 1.568 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1C 1492234885 HKCOLUBQYXALOA-CQSZACIVSA-N 447.565 1.635 30 10 IDEE CC[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1499640905 VNCUWTALJQYHPE-AQRLUDHBSA-N 444.536 1.765 30 10 IDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](OC)[C@H](OC)C2)CCC1 1502399284 DEZPXEHQFFIBNW-KDURUIRLSA-N 438.532 1.973 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1503254422 IEBBKNAZHCFUBV-SFHVURJKSA-N 444.561 1.556 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1505135462 UOCWBIYPESEKNB-SFHVURJKSA-N 425.461 1.587 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1507539977 YCXHXJLLJXBJDO-RDJZCZTQSA-N 432.546 1.898 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)N(C)C)CC1 1507728450 YZEOGEBASXKZJL-HXUWFJFHSA-N 436.564 1.791 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1507942829 FMJFXDPKNCDHRG-IUVQAAGXSA-N 427.571 1.627 30 10 IDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1509429861 DJVYKNHSYZZXKN-UHFFFAOYSA-N 425.537 1.595 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1511967245 ATRVQJSLLJGTFQ-KRWDZBQOSA-N 437.548 1.594 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@@H](C)C2)CCOC1 1512237518 GOVPVOZHHDIIOW-WOIUINJBSA-N 432.569 1.779 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1516755445 KTOAWBZFAKUAIG-QHCPKHFHSA-N 437.548 1.454 30 10 IDEE CN(C)c1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1516994418 AADSCDOAJNOSIK-MJGOQNOKSA-N 444.561 1.218 30 10 IDEE COCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519035308 KOLJDLDDVAVOLX-SFHVURJKSA-N 442.568 1.839 30 10 IDEE Cn1nc2c(c1C(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)CS(=O)(=O)CC2 1526743501 MKKDMSQUVTYVBU-UHFFFAOYSA-N 430.877 1.854 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1538963204 QZAVXBVGNXSPGW-OAHLLOKOSA-N 429.525 1.129 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccncc2)CC1 1539002791 XXQXXQLSPNKFFJ-LJQANCHMSA-N 431.548 1.800 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@@H]1OC 1539153772 JDCOUWJKMFVPJS-SJORKVTESA-N 446.577 1.668 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1539218757 CMUSRAMFNBUMPL-GOSISDBHSA-N 432.521 1.671 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccccc2)CC1 1539430093 HBBBVDQIBYINRE-QZTJIDSGSA-N 446.577 1.111 30 10 IDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539490916 JQEISPYMCSRIOD-SFHVURJKSA-N 434.610 1.139 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1539512815 FVLZUCDIIFJJIV-INIZCTEOSA-N 448.499 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOC)C(=O)C1 1540865928 WYISXFRQETUNOV-UHFFFAOYSA-N 438.488 1.289 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1540877482 XDATZAWURYHGCW-GOSISDBHSA-N 438.532 1.455 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N3CCOCC3)CC2)CCOC1 1541105697 LYUFAMGUZCUESH-AVRDEDQJSA-N 432.569 1.779 30 10 IDEE CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1552408964 CZBWJYPZJCPQEC-DGHVEJQWSA-N 428.562 1.928 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1554975106 RHPPJCRRIKZPRF-WAOWUJCRSA-N 431.468 1.848 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1555690877 UZYOTOMBSCJRAP-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NOc1cccc(C#N)c1 1557921459 XFQPAYSBOJFJAR-KRWDZBQOSA-N 435.889 1.855 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1558328731 FPHBSFKSJXHLHW-HXUWFJFHSA-N 431.558 1.504 30 10 IDEE COc1ccc([C@@H]2CCN(C(=O)NCC#CCO)C[C@@H]2NC(=O)C(F)(F)F)cc1F 1565250069 TZVLYVVKDQIQAD-ZFWWWQNUSA-N 431.386 1.376 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCO[C@@H]3CNC(=O)OC(C)(C)C)CC2)c1C#N 1567645688 DMHOAACYKZZOCH-NVXWUHKLSA-N 432.525 1.179 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1OC 1584308811 XIXPZVISNORONY-CVEARBPZSA-N 431.489 1.965 30 10 IDEE N#Cc1csc(CNC(=O)c2cc(I)ccc2-n2cnnn2)n1 1585401511 AIYFXVWTPLYCDA-UHFFFAOYSA-N 437.226 1.525 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1586674066 YOSGYGSNMQMWII-UHFFFAOYSA-N 441.532 1.918 30 10 IDEE CN(CC(=O)NC1(c2cccc(C#N)c2)CCOCC1)C1=NS(=O)(=O)c2ccccc21 1587613211 AKFWJWBDQZRMHG-UHFFFAOYSA-N 438.509 1.761 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1587638171 CJKINQOYAJPTBI-BHYGNILZSA-N 447.536 1.121 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1587808466 SCADJYAJGIEJSY-JMGYQRAPSA-N 437.591 1.676 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1587808467 SCADJYAJGIEJSY-OHZJNBGDSA-N 437.591 1.676 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1587856578 NLMJAZFDXGLXIV-HRAATJIYSA-N 432.521 1.831 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588035325 RNPDRKUHTRAQKA-WWMYMODYSA-N 436.578 1.603 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1588138763 IRZKBOMGDLYSKW-RTBURBONSA-N 425.558 1.990 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COC[C@H]3c3ccccc3)CC2)cc1 1588158614 WVMCVOZGXYBBFD-LEWJYISDSA-N 425.510 1.821 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccco1 1588281016 WEPHINKFQSRCHK-UHFFFAOYSA-N 441.513 1.831 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)[C@H](C)CC)CC1 1588733714 YTSBWUGWAGMKAR-MSOLQXFVSA-N 425.537 1.742 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)CC=C)CC1 1588871743 OZNGGEXMSXDGID-UHFFFAOYSA-N 447.536 1.352 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CC)CC1 1588923482 ASLBQWOMEPZFPD-RBUKOAKNSA-N 441.580 1.069 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1589135223 VIJQROFGVCUVHI-UFYCRDLUSA-N 449.621 1.670 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1589590617 XYPDHNOYNCARKQ-OAHLLOKOSA-N 447.627 1.648 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCN(CC)CC2)CC1 1594169154 UUUKODLEWIDPMB-UHFFFAOYSA-N 429.613 1.944 30 10 IDEE C=CCCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1594659970 HFWHDARKAKVWRQ-JOCHJYFZSA-N 428.537 1.943 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1594813484 UFVVSYWRJRNKHF-RTBURBONSA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1C 1595467757 YTHSUZWIRCMBTQ-UHFFFAOYSA-N 426.521 1.640 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C[C@H]3CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1595602489 LHRWYBQHDYDSIV-DNVFCKCGSA-N 447.580 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595797809 IREQXTQZTCCKDJ-IAGOWNOFSA-N 425.555 1.225 30 10 IDEE N#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(F)(F)F 1598395600 YPZVEOJVSYRXIF-MRXNPFEDSA-N 447.435 1.819 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC#C[C@H]1CCCCO1 1606802482 RFEJSHPNBWPUPU-QAPCUYQASA-N 440.949 1.562 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1610416595 QJXNPZATIVGWJJ-OEAGWNGGSA-N 442.520 1.611 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1610417941 XXIVNUOAUUEMTA-BULFRSBZSA-N 433.553 1.989 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1613428694 CBHPMMUGQDZOEP-LPHOPBHVSA-N 426.521 1.973 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1 1613897332 AEHJVXYRQMWVJB-VBKZILBWSA-N 435.504 1.797 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1620149521 ICTGTSKHOXKHDZ-QZTJIDSGSA-N 445.545 1.547 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(=O)OC)ccc2COC)c1 1621669281 QGAJNWUTXTUOSF-UHFFFAOYSA-N 430.482 1.860 30 10 IDEE N#CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1628648966 FCTPAYLFOGEKCG-UHFFFAOYSA-N 428.514 1.310 30 10 IDEE CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1631137525 FZHUXERXLKKODA-AEFFLSMTSA-N 448.545 1.543 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCn4c(nnc4C(F)(F)F)C3)C2=O)cc1 1634046268 CCGGOZRFFICHBC-CYBMUJFWSA-N 447.377 1.416 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1634282877 YDYNFHWETWYNOR-UTCJRWHESA-N 425.464 1.383 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C(=O)OC 1635158569 FBONBXWPDQZLGM-GDBMZVCRSA-N 428.407 1.914 30 10 IDEE COc1ccc(CN(CCCO)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1637016635 MICIDTPFVZEVFQ-UHFFFAOYSA-N 445.541 1.925 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCn3cnc(C(F)(F)F)c3C2)cc1 1643688407 QQILWPXWCYJAOW-UHFFFAOYSA-N 427.408 1.750 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 1643888688 OMHPQOMGDJBKEZ-GOSISDBHSA-N 426.498 1.168 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 1645390911 FPISQRLAOJSZSC-UHFFFAOYSA-N 428.474 1.676 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCc2c(sc(N)c2C#N)C1 1646255229 KBRMITYWYBNOJD-OAHLLOKOSA-N 447.561 1.992 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1647998999 WUEQMJWBKBGDJD-MOPGFXCFSA-N 442.516 1.974 30 10 IDEE CCCCOC(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1652142199 FHQITTMLADAAQS-UHFFFAOYSA-N 439.559 1.468 30 10 IDEE CC#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1657715487 IYQHWXDREDWPFL-OAHLLOKOSA-N 425.507 1.002 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1676031099 RNWQFTIUJHIASR-AWEZNQCLSA-N 430.983 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)(C)C1 1684502401 YWIGDJMOBBNOPP-BXTJHSDWSA-N 440.566 1.602 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1684806992 QCNIDSFLCMZTRG-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1686548885 PRPGHPRJEDWJJJ-UHFFFAOYSA-N 438.509 1.675 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689938282 GQLKHDWCXHUPHD-SFHVURJKSA-N 442.541 1.906 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1F 1689966612 XEDGTCCOWXBGNZ-INIZCTEOSA-N 441.916 1.521 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1689996039 CRJDUOCUABJWKI-MRXNPFEDSA-N 447.586 1.863 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690628972 ACBOMICLHJZXNC-VBHSOAQHSA-N 426.543 1.178 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690646658 YIWKPBWXSWCOHD-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1690659583 XGRNSWIWIVUFIW-OAHLLOKOSA-N 449.556 1.164 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1690721127 YLVKDXFQWWPAOP-KRWDZBQOSA-N 431.562 1.817 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690740175 LLTURDZCIHRMAW-HNNXBMFYSA-N 439.611 1.363 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1692742710 JZKLINJHYQMVBC-QAPCUYQASA-N 433.534 1.492 30 10 IDEE CCc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CCCNC(C)=O 1694734986 LEMPHIGCHUPXAO-UHFFFAOYSA-N 438.492 1.813 30 10 IDEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1OC 1696116329 FJHMIADVUWPFAI-FGZHOGPDSA-N 444.511 1.861 30 10 IDEE CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1696410666 AMYATKCVUCVXDB-INIZCTEOSA-N 440.570 1.168 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1697030774 HZYQOHFERRDGKY-GBESFXJTSA-N 425.489 1.746 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1697499152 UHUKCUJNZKUHFV-HKUYNNGSSA-N 440.504 1.339 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1697777926 UWNICJQTMHGAAK-LJQANCHMSA-N 443.527 1.448 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1697780954 DHKUGMAIUTVRNJ-MSOLQXFVSA-N 429.500 1.750 30 10 IDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)CC1 1698491005 OBRCNYCBFFMJMK-INIZCTEOSA-N 430.534 1.815 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2nncn2CC)c1 1705506769 HZKGFHJKZJMGPH-SFHVURJKSA-N 448.531 1.888 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705547400 GBRGNVGIVLWJFU-NRFANRHFSA-N 448.545 1.360 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1705552189 WGZAIMLBQDXLCO-LJQANCHMSA-N 447.561 1.322 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705567529 YMILSLOPOFBTIK-INIZCTEOSA-N 449.602 1.812 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@H]2C)n1 1705631513 HWOAIWJPSPJRAY-KZNAEPCWSA-N 446.577 1.319 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[S@](=O)C(C)(C)C)CC1 1705641465 HDFRNSJWYZRQSG-LJAQVGFWSA-N 434.635 1.936 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1705786474 OWJXSTPFLAGDJY-CABCVRRESA-N 426.587 1.582 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705829544 UWODLDGODBSNKM-QGZVFWFLSA-N 444.496 1.768 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1705898282 HEJQJZJLJGJOHF-UHFFFAOYSA-N 449.515 1.091 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCNC(=O)CC1 1705898950 CWGUWUXCLDZZSD-UHFFFAOYSA-N 433.310 1.336 30 10 IDEE CC(C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCOCCCO 1706315028 VTTUGMJFIGCBFW-UHFFFAOYSA-N 429.525 1.864 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1708619825 YAEAPHPRFFIFQZ-PBHICJAKSA-N 427.465 1.887 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1710866984 TVSLQHFRTUSWHN-SFHVURJKSA-N 433.534 1.493 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1)OC 1712149668 CDPXSVJNKRKMAO-QGZVFWFLSA-N 433.534 1.750 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCO[C@@H]2CCOC2)c1 1712878905 MOTPJPICYSGDBC-GOSISDBHSA-N 431.518 1.247 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1722406148 LJFCMKPXNMIMIG-QGZVFWFLSA-N 447.561 1.846 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cc(C)oc1C 1722428023 WBJSBAIRDNQRNA-QFIPXVFZSA-N 429.521 1.604 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2cc(C)nn2C)n1 1722429550 NHQITTCXTLTQAU-HXUWFJFHSA-N 438.536 1.703 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)CC)CC1 1722443607 XKFRUXWRLQXURN-UHFFFAOYSA-N 443.939 1.438 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722459924 AHSGASFSTHWDTO-UHFFFAOYSA-N 432.638 1.978 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(N)=O)C1 1722492169 AKUDLLCSROYDAC-DCGLDWPTSA-N 428.331 1.612 30 10 IDEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCNS(C)(=O)=O)CC1 1722560510 BROKSPRIADAEPJ-UHFFFAOYSA-N 443.371 1.752 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC1 1722566322 PGRUQZYXVVPGIZ-QGZVFWFLSA-N 425.555 1.194 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722582915 LYXLEYUKQFHASS-GJZGRUSLSA-N 447.627 1.504 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)C1CCCCC1 1722690508 JOCPWPGODDUBCR-GJZGRUSLSA-N 426.587 1.596 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NCC)CC1 1722693213 GVWCHWMFQOPHCT-UHFFFAOYSA-N 442.480 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nccs2)C1 1722727559 JIGXVBKBMWPBSK-GJZGRUSLSA-N 439.563 1.417 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1729167583 JHYWLRCKRADJNQ-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE COc1ccc(OC)c(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1730188507 DRSPJZGXGQFMEP-NRFANRHFSA-N 428.468 1.908 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1730482290 AHHLHBHDWVGQPR-PXNSSMCTSA-N 433.509 1.816 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cc(C)nn2C)c1 1740561835 CUYIVQIOTIGNRS-UHFFFAOYSA-N 441.499 1.882 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1740563878 XLERHCKUFOVQPU-GVDBMIGSSA-N 438.594 1.594 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740575936 WWLGAFYUAXDPTR-IAGOWNOFSA-N 442.607 1.387 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC1(O)CCOCC1 1740654195 GBFCEQAYZHEJSN-UHFFFAOYSA-N 432.528 1.911 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccccc1)N1CCOCC1 1740683705 MZOJVIKMVVOJDQ-JOCHJYFZSA-N 449.559 1.838 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1740697418 DGMJKPFSRBUYTF-WJOKGBTCSA-N 443.573 1.629 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)CC(F)(F)F)CC1 1740698661 JMSMZOIPKWJPPH-UHFFFAOYSA-N 441.502 1.040 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740953499 IABVWLYNRUDDFE-OAQYLSRUSA-N 446.458 1.708 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1740987524 VXLTUTGREYCQLD-CRAIPNDOSA-N 449.508 1.887 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1740988666 MIRQRFNOBKQKGN-UHFFFAOYSA-N 444.561 1.186 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1743354680 DUTQBVRHOIMBNT-NVXWUHKLSA-N 430.534 1.323 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@@H]2C)c1 1748692808 OYKCJQACRIFUDJ-CGTJXYLNSA-N 441.557 1.892 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1748811075 BEXYHEHITBNVQV-KRWDZBQOSA-N 439.545 1.797 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1748859329 SDTVGZHALFGKFQ-MYGHRHJXSA-N 449.577 1.428 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCO[C@@H]2CCOC2)CC1 1748994335 DRLUAYNPFBXOSV-HXUWFJFHSA-N 427.553 1.091 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)[C@H](C)CC)CC1 1749009067 LWBWEHXDAJVCSW-QGZVFWFLSA-N 426.569 1.375 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@@H]21 1749038264 PLGQRGJCMHWRAX-IKGGRYGDSA-N 439.607 1.356 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749083071 BVLOWQZCYBONTN-WXHSDQCUSA-N 436.376 1.658 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)C(=O)C1 1749133063 HEWPKLPQUIYJLK-SIKLNZKXSA-N 440.548 1.540 30 10 IDEE C=CCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1749450975 ZJTQTTVQJQODCR-UHFFFAOYSA-N 446.939 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749723930 DSDDTRVENPQOCL-OAQYLSRUSA-N 447.561 1.517 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760144966 FUQGEGUSROSIQR-IUVQAAGXSA-N 425.555 1.074 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1760221436 WGEGAKXADZOUPM-UHFFFAOYSA-N 448.552 1.683 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1760244305 QGPIKYMECLAUQS-UHFFFAOYSA-N 434.302 1.199 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(N)=O)c2)CC1 1760256796 SVRVLTCXTQCCCB-UHFFFAOYSA-N 435.919 1.896 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC(F)(F)F)CC1 1760261529 SWOFNLHSXIFHFV-UHFFFAOYSA-N 425.459 1.821 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1760268469 KHVKQTSESISHCE-UHFFFAOYSA-N 442.564 1.988 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760520267 IHTFANFTHZQEIY-UHFFFAOYSA-N 447.547 1.882 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760565318 UCYJYOHTVYHWJO-KRWDZBQOSA-N 431.566 1.767 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccon1 1768280938 JIZUFARRSCIDMJ-UHFFFAOYSA-N 429.506 1.771 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)CC2CC2)CCO1 1770750991 BTDHRJWYTXEAGP-LJQANCHMSA-N 429.546 1.617 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CC1=O 1771137072 JLJWPONAFFVELG-UHFFFAOYSA-N 441.879 1.801 30 10 IDEE CS(=O)(=O)CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1)C1CC1 1771354983 CRKSKZGZLMDQMA-UHFFFAOYSA-N 426.502 1.790 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C2(C(=O)ON3C(=O)c4ccccc4C3=O)COC2)CC1 1772789084 OSPAZAAKSIQWRM-UHFFFAOYSA-N 431.445 1.063 30 10 IDEE Cn1cc(C#CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 1850050190 PRRHOCGIUPUOGX-KRWDZBQOSA-N 440.447 1.760 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN(C[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1855043373 CQKDGPQDJIOVOJ-FXAWDEMLSA-N 429.542 1.694 30 10 IDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855267711 TYHNPGXTIJMMER-QGZVFWFLSA-N 431.514 1.413 30 10 IDEE C=CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861509283 SNZCXXWHXQUOBA-ZDUSSCGKSA-N 435.436 1.632 30 10 IDEE CC#CCN(CC(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)C(=O)OC(C)(C)C 1900620664 MDUXBMJQHOKZCE-INIZCTEOSA-N 427.542 1.981 30 10 IDEE CN1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)[C@H](C#N)C1 1963742607 AZXKFGGHOWHZGF-MSOLQXFVSA-N 430.505 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2064130312 MIYBPGQTNBDOHX-JYJNAYRXSA-N 440.346 1.268 30 10 IDEE NCC#Cc1ccc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)s1 2089789449 WZTVXYCUQXWQFV-UHFFFAOYSA-N 431.539 1.554 30 10 IDEE C=CCN(CCC(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2244284650 URNKHQVJIVOZCV-UHFFFAOYSA-N 431.530 1.164 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247880748 KRSZUYWUXDBQCJ-JKSUJKDBSA-N 438.355 1.930 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](OC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248443878 SCOBPVVKXKCUIM-LLVKDONJSA-N 440.331 1.817 30 10 IDEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)o1 2255594643 DKIMQZQCZUTOIY-UHFFFAOYSA-N 434.262 1.369 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)n1 2255653274 GSLPAVSTXFCQSE-ZDUSSCGKSA-N 436.318 1.390 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255875211 UGBBHGKHPAZUTC-CQSZACIVSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2256718259 PSYXIQUUDYLFMT-HRCADAONSA-N 438.330 1.694 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267138429 XJRBOEOMQKJLNL-LSDHHAIUSA-N 446.357 1.862 30 10 IDEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267524777 VFKCRZADUSCRPW-SFHVURJKSA-N 435.337 1.569 30 10 IDEE C[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267610344 ZHZLKBRNPVZVRV-WCQYABFASA-N 442.247 1.305 30 10 IDEE Cn1nc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2269073193 HJKLGZNQKOVQET-INIZCTEOSA-N 443.309 1.509 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)O 2269074815 SPVNLEYZOLHCIP-GOSISDBHSA-N 441.337 1.639 30 10 IDEE COC[C@@H](O)CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311859 NZKUZOIZMAKJFP-JTQLQIEISA-N 425.765 1.329 30 10 IDEE COc1ccc(S(=O)(=O)NCCC2(C)OCCO2)cc1B1OC(C)(C)C(C)(C)O1 2282492649 SDBSIMVZWAVVKV-UHFFFAOYSA-N 427.328 1.426 30 10 IDEE C=CC[C@]1(CO)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2287684900 AMGBQQADPANDFK-PXNSSMCTSA-N 440.518 1.346 30 10 IDEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccccn1 2296624940 FLGWVXJLRRXPGB-LJQANCHMSA-N 436.468 1.900 30 10 IDEE CC(C)(C)OC(=O)N1CC(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)(S(C)(=O)=O)C1 2306862845 MHYOZMPRCCLMNT-MDZDMXLPSA-N 444.359 1.324 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(OC)c1 2329035001 URICUOQJSHLKMU-CQSZACIVSA-N 447.517 1.864 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2337204608 NFLJZVXLDYMPAS-CQSZACIVSA-N 446.357 1.849 30 10 IDEE Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)c(=O)c1C#N 21354715 OLBVVIDBSXVQID-UHFFFAOYSA-N 437.500 1.038 30 10 IDEE CN1/C(=C/C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)C(C)(C)c2ccccc21 23479118 MVRVLDJWZNTFNQ-CJLVFECKSA-N 426.561 1.343 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3OC)n[nH]2)cn1 59886621 DDVWZGQZOZIURH-DJKKODMXSA-N 430.494 1.833 30 10 IDEE Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2c(C)nn(CCO)c2C)n1N 59914372 BHLRVTUQTBAEDL-UFFVCSGVSA-N 443.537 1.283 30 10 IDEE CCCCOC(=O)N[C@H](CNC(=O)C[C@H]1CC(c2ccc(C#N)cc2)=NO1)C(=O)OC 90447451 FTQRLUOLHGFRQY-SJLPKXTDSA-N 430.461 1.625 30 10 IDEE Cc1ccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1S(=O)(=O)NCC#N 428480501 LBDLARWVDLMHEI-UHFFFAOYSA-N 428.518 1.360 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@@H](O)CN2CCCCC2)CC1 434419574 APXQQYWSGHGXHS-QGZVFWFLSA-N 427.505 1.986 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443337111 WSEQGWYYYVVKHU-FHERZECASA-N 428.489 1.753 30 10 IDEE Cc1noc(CN2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)n1 443477178 PRGGSFJFIZKYRS-UHFFFAOYSA-N 426.296 1.519 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccccc1 460555675 QQPTWFZVTZYKKJ-IBGZPJMESA-N 449.577 1.840 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cn1 461745635 KMLPYNWYMNOZHJ-QGZVFWFLSA-N 430.424 1.902 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2OC[C@H]2CCCO2)CC1 466604818 SYNALAZRPHCDRT-HXUWFJFHSA-N 430.549 1.682 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)CN(C)Cc3nnc(C)n3C)c(C#N)c2N)cc1 468429904 ROASYBGGHUBEPL-UHFFFAOYSA-N 435.536 1.252 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c(F)c1 473445331 SPYPZWBMCWIBLL-JKSUJKDBSA-N 435.408 1.542 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 508797982 QFWXZLJKXVSQEQ-HNNXBMFYSA-N 429.612 1.909 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508889746 UTHOVAYJEPFDDG-INIZCTEOSA-N 431.566 1.509 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC=C)CC1 508923837 WXCCLJFGOQPUMO-UHFFFAOYSA-N 432.532 1.741 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 514654460 HOUHGJWSKDSPEV-LBPRGKRZSA-N 438.336 1.645 30 10 IDEE CCOCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(C#N)n2)CC1 549391291 JNKGFJJXDSZMND-UHFFFAOYSA-N 426.525 1.436 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 549698050 CWEMYXFGONLLSW-HNNXBMFYSA-N 432.550 1.438 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCOC2)CC1 549703393 YXQWFKIFSDKLCP-GOSISDBHSA-N 430.578 1.391 30 10 IDEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 555046832 VGTSSHNZAQAFTK-UHFFFAOYSA-N 442.545 1.672 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCCO1 603797251 AWHABUFATRULIQ-MRXNPFEDSA-N 443.956 1.868 30 10 IDEE N#Cc1cc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)ccn1 610956540 APJNPASHBJYGAM-UHFFFAOYSA-N 443.529 1.423 30 10 IDEE N#Cc1ccc(N2CCC(NS(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)nc1 611532970 JNYTXZAYJVQVFV-UHFFFAOYSA-N 425.514 1.366 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCC(C(N)=O)CC3)nnc12 639968297 SZOXYYTUJYHLQR-UHFFFAOYSA-N 440.529 1.483 30 10 IDEE CN(C)S(=O)(=O)c1c(I)cccc1B1OC(C)(C)C(C)(C)O1 709922208 GMHZMNYBCUSBJF-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)[C@H]1CCS(=O)(=O)C1 729335332 LZRAEWLKVVETCM-AWEZNQCLSA-N 428.963 1.903 30 10 IDEE CC(C)OC(=O)N1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 733761557 UHTBJCJTXZPBIP-SFHVURJKSA-N 441.488 1.889 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)c1 740199146 MKYONUDWYLXSEI-IBGZPJMESA-N 446.481 1.863 30 10 IDEE CC(C)OC(=O)N1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742669291 KZLJZOFLOOQRGX-CQSZACIVSA-N 436.534 1.629 30 10 IDEE C[C@H](CC(=O)OCCc1nnnn1-c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 745495879 IXAGJKKCYKWNEC-CQSZACIVSA-N 440.485 1.265 30 10 IDEE C[C@@H](CC(=O)OCC(=O)Nc1cc(F)cc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 745496800 OAGMOKSRKOMHMG-NSHDSACASA-N 437.424 1.964 30 10 IDEE C#CCN(CC#C)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 752150275 QKCXYYPZANMUAU-UHFFFAOYSA-N 435.549 1.902 30 10 IDEE CC(C)(C)OC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)cc1 765002488 JEDMPVPOTGORLO-MRXNPFEDSA-N 437.521 1.928 30 10 IDEE CCCCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCc2nnnn2C)cc1 771539519 OXIIFNJXRNGIBK-MRXNPFEDSA-N 429.550 1.863 30 10 IDEE C#CCN(C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 774164900 VYAKUSVNDOHDNV-LVCYWYKZSA-N 433.574 1.628 30 10 IDEE COc1ccc(S(=O)(=O)N2CCSC[C@H]2C#N)c(NS(=O)(=O)C(F)F)c1 774786070 ZAYRXFXPBFXENC-SECBINFHSA-N 427.476 1.289 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 779189599 SWMXFZGJQPTEDZ-IBGZPJMESA-N 445.497 1.836 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 794579104 PCSAVSRGEKCRNN-INIZCTEOSA-N 439.537 1.615 30 10 IDEE CCn1nccc1CN(CCO)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 797616145 PRBDQYQRKYYSIU-FCDQGJHFSA-N 448.549 1.742 30 10 IDEE COc1ccc(NC(=S)NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)cn1 807970261 YUNGKBKPURFXNZ-UHFFFAOYSA-N 444.336 1.821 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 812051941 KIIRLEABNZXHKA-LJQANCHMSA-N 427.530 1.122 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1117651399 FMUBGAJXBPRWPN-HZPDHXFCSA-N 431.566 1.678 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1Cc2cccc(C#N)c2C1 1130387898 YXMYAAORYQQMNT-UHFFFAOYSA-N 427.482 1.744 30 10 IDEE Cc1cc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc(C)c1C#N 1140384005 JYOZVSYJOGHANG-GOSISDBHSA-N 434.544 1.752 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c(=O)nc1O 1142159946 GEHCPYXVHMDOMA-ZDUSSCGKSA-N 446.305 1.616 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1151411987 POJMIMMVRAEWFP-SFTDATJTSA-N 425.489 1.081 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C)C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1154386184 BEHVAIBKULHYRQ-KSFYIVLOSA-N 446.552 1.711 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCN(c4cnnc(O)c4Cl)C3)CC2)o1 1158889977 RMGOWACFGWDXFF-CYBMUJFWSA-N 431.884 1.615 30 10 IDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C#Cc1ccc2c(c1)OCO2 1162121356 JLNZXHDRDCQHGF-UHFFFAOYSA-N 431.426 1.112 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccccc2S(=O)(=O)C(F)F)n1 1271204491 MCXJORZSMIJJQZ-UHFFFAOYSA-N 425.457 1.730 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286356228 MIJSIPLVSXWUIK-AWEZNQCLSA-N 426.443 1.319 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1286399932 RJFXXJKCWZPCDX-IRXDYDNUSA-N 429.550 1.044 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286483344 HLOVLOFHHVYWOI-GOSISDBHSA-N 433.603 1.510 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OC)c2OC)CC1 1286484909 QERMILFAHDBGGV-UHFFFAOYSA-N 449.559 1.960 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1286494891 QJVAAMVQCVKZPY-UHFFFAOYSA-N 430.534 1.338 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286783772 LBJHIGCWKHCUHR-QWHCGFSZSA-N 440.957 1.554 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@]1(OCC)CCOC1 1286793795 MFQAFJYHBHVFDJ-RDTXWAMCSA-N 437.451 1.753 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(CC)C1 1286823444 NKJJHWAEAYZEMW-LJQANCHMSA-N 425.555 1.007 30 10 IDEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1291045209 AGRDZTOQBXZFLG-ZOCZFRKYSA-N 429.546 1.991 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1297999841 CBRGPZSJNIHJML-HXUWFJFHSA-N 430.534 1.567 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1298789870 FBVJTRUXGYMZSU-GOSISDBHSA-N 448.549 1.235 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1299031539 ZKIOEINKRQHKQO-ZDZITJCTSA-N 443.552 1.356 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1300357804 YEJFCWGGSXGYKE-KRWDZBQOSA-N 426.525 1.436 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300503788 FOYYRIPKKBWEQP-SJLPKXTDSA-N 449.552 1.573 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1 1300554944 NSLIJXAJXMVPEL-JOCHJYFZSA-N 437.573 1.826 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1300671177 DNEZFLSGWKUVQS-MRXNPFEDSA-N 435.431 1.258 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCN2CCC)CC1 1300680970 ICKXWDUICPMRFQ-HXUWFJFHSA-N 427.597 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([S@](C)=O)CCC2)CC1 1300725658 IYWVPOSJFAMMQU-OKXSDPAFSA-N 447.605 1.439 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1300805525 GLJCMHZDIUTCKD-YLJYHZDGSA-N 433.534 1.553 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1301497014 KZLGMSNBBCSWIJ-UHFFFAOYSA-N 430.476 1.254 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1301506262 ICQIEYMAOIJPTL-UHFFFAOYSA-N 441.511 1.304 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301578438 AQRXYRAKUXOGAF-QGZVFWFLSA-N 448.593 1.863 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OCC 1302417732 AKUYDTZEQQSDEI-OAHLLOKOSA-N 446.957 1.618 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1304189866 RQBZCJAUFJJDNJ-HNNXBMFYSA-N 429.525 1.287 30 10 IDEE COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N1CCN(CCC#N)CC1 1309777773 HQEHGEHOODLMHE-UHFFFAOYSA-N 430.324 1.385 30 10 IDEE CN(CC1CCCC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314793666 BZQDCZQYOZGHES-CZIZESTLSA-N 441.536 1.667 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1315000496 CFKBDSQQXFBIKD-UHFFFAOYSA-N 437.504 1.621 30 10 IDEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1316266328 KJXWOAAKYWGBMC-QGZVFWFLSA-N 444.511 1.782 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1358871291 CJRSWKFXMOJLQS-YESZJQIVSA-N 444.561 1.399 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1358879844 ZJGSNNAZJSISBS-INIZCTEOSA-N 444.586 1.653 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1358948736 JWOXDFNKTQAZRD-PKOBYXMFSA-N 446.577 1.205 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(C)=O)CC1 1359026431 XOPDYKBAPNIIHF-UHFFFAOYSA-N 449.559 1.861 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)C(C)C)CC1 1359039788 VXRNDIMPBQILCB-RTBURBONSA-N 430.597 1.724 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(SC)CCOCC2)CC1 1359044404 FPOQEWHKQASPCM-SFHVURJKSA-N 447.605 1.660 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359089521 KNGRQLXJSQHHLT-QLDGJZPUSA-N 433.553 1.782 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCCN(S(C)(=O)=O)CC1 1359105379 NRNPHYRKWRDZFZ-SJLPKXTDSA-N 427.571 1.268 30 10 IDEE C=CCCOCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1359229401 INMXQNMLPBUWMJ-FGSXEWAUSA-N 433.553 1.485 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC)C1CC1 1359251197 FMHIPEAKLGJSKY-LJQANCHMSA-N 447.561 1.823 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359324312 ILDMIJOENDCOGA-CVEARBPZSA-N 430.534 1.700 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)N(C(=O)OC(C)(C)C)CC1=O 1434986631 KCGWCFCRXYPCDP-SFHVURJKSA-N 445.495 1.424 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1439613099 JDAAMSJGHGZAAH-GTNSWQLSSA-N 426.520 1.178 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1443538624 SRDRJNGPSOQCAY-VLGSPTGOSA-N 435.271 1.889 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC(CC#N)CC3)CS(=O)(=O)[C@H]2C1 1447586535 QFXZTJCENCLWOL-ZACQAIPSSA-N 425.551 1.809 30 10 IDEE COC(=O)Cn1ncc2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc21 1456526313 AKECSBXYWXSWCI-UHFFFAOYSA-N 426.454 1.634 30 10 IDEE Cc1ccc(OCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1 1456614081 QKDCEVWCPNFTBQ-SUMWQHHRSA-N 427.320 1.923 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cc(Br)ccc2SC)C1=O 1463129743 YVSHVBQPEOLEHC-UHFFFAOYSA-N 440.319 1.807 30 10 IDEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1464914451 VORVYBOLKHSUTF-UHFFFAOYSA-N 440.522 1.173 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 1465424986 OKLBESIBMZITKD-QHCPKHFHSA-N 426.538 1.850 30 10 IDEE C#CCN(CC(=O)NCc1nn(C)cc1I)C(=O)OC(C)(C)C 1468144980 KASPOVOZLDJJKT-UHFFFAOYSA-N 432.262 1.511 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1472411101 JOXNIMRGHIBQDS-HOTGVXAUSA-N 425.526 1.733 30 10 IDEE C#CCC1(NCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CCOCC1 1473808145 HDZRETNFJFKLFK-UHFFFAOYSA-N 445.585 1.912 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ncc(Br)cn3)C2=O)cc1 1478566963 CFPPFZYGLYEVAV-OAHLLOKOSA-N 429.278 1.711 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(Br)c2Cl)CC1 1478825144 SBNFPDFYSCIOLB-UHFFFAOYSA-N 449.758 1.397 30 10 IDEE CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1499594317 JTVPSPPTRIRLPS-MEUCICPISA-N 427.509 1.382 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1501104003 CTHJOLSLCTYLFC-JIQGDJCJSA-N 441.536 1.425 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C[C@H]1O 1503881268 IGALQETVIWHECZ-CEXWTWQISA-N 425.489 1.746 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 1505151227 CQSCAAQHSSVCRP-DEXQXJORSA-N 433.559 1.351 30 10 IDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCN(C)S(=O)(=O)CC 1507615087 NVCRXXOIIGUZLM-UHFFFAOYSA-N 425.505 1.888 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507653058 MQMOAUYLUMPBFK-LJQANCHMSA-N 436.491 1.326 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccsc2)CC1 1507715866 JJRMYPHCJIXWSW-NRFANRHFSA-N 428.562 1.239 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(=O)N2)CC1 1507716596 RZPFSTNRIZALFL-LJQANCHMSA-N 435.532 1.181 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)CC)CC1 1507723208 ZPIMRUFUNWULID-UHFFFAOYSA-N 438.557 1.683 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(CC)CC)nc2)CC1 1507723825 VYKYTDVFNBWJNE-IBGZPJMESA-N 436.564 1.274 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1507746909 VBYZLGLOPQYFEZ-HOTGVXAUSA-N 441.623 1.386 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1507952962 CGPIAQLNOYWWJB-KRWDZBQOSA-N 426.587 1.108 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1 1507981124 IYRIRGNIBKVRJZ-MJGOQNOKSA-N 448.593 1.758 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508086331 NDHJONMNMXAQNJ-FPOVZHCZSA-N 438.576 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCC2)C1 1508140392 NPFXQHVPSCROFC-KRWDZBQOSA-N 431.566 1.401 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508145211 KRQOJYMTDLBRPJ-AEFFLSMTSA-N 447.536 1.324 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCCS(C)(=O)=O 1511890024 PNCSZQWPOJQPLW-OAHLLOKOSA-N 432.554 1.178 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C 1512497770 ICJBKMNFSPITSN-DAYGRLMNSA-N 437.504 1.809 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1515056447 FDULODJKHZHTEZ-QGZVFWFLSA-N 430.534 1.356 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1518957294 CUKNIILCPZDOKG-HSZRJFAPSA-N 448.531 1.721 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1519391486 FKBPCBHVONADQK-QUCCMNQESA-N 438.532 1.832 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCCO)CC2)c1 1521110798 RDWYPIHUTSSURV-SFHVURJKSA-N 438.536 1.375 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1535115986 DPGSENDSKUHCJP-HNNXBMFYSA-N 432.454 1.533 30 10 IDEE Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)n(C)c1=O 1535928137 FMUWQGFUZXTFES-HNNXBMFYSA-N 434.378 1.115 30 10 IDEE Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)c1 1536181026 ZSOXFNASOBZDHI-LZNRXBQRSA-N 429.542 1.552 30 10 IDEE C#CCCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1539087416 UIIXHOWRPOZGAG-JOCHJYFZSA-N 426.521 1.390 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539229679 GRNYYGDQYARDPN-KNQAVFIVSA-N 430.574 1.851 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1539446870 LCQREQFITGAUDE-IBGZPJMESA-N 425.533 1.993 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CCOC)CC1 1539488633 MZRGLOINFOOSCZ-UHFFFAOYSA-N 444.580 1.429 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1539632767 UCEGEKRZACHRCY-QKLQHJQFSA-N 433.553 1.495 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1539744229 GDXSPMWMXQRXFK-UHFFFAOYSA-N 431.497 1.060 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540035390 BKGCIDIKONMCSD-LEWJYISDSA-N 432.613 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C=C)CC1 1540868776 RDPRUYQBLCNGRM-UHFFFAOYSA-N 443.577 1.943 30 10 IDEE C=CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1543487409 SDYKLDFORXEGJS-RDJZCZTQSA-N 445.582 1.244 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)CC1 1547698958 ALLAJCJAHYOKGW-DBXWQHBBSA-N 437.564 1.470 30 10 IDEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1554193296 UEKFNNRQHDCXJT-SFHVURJKSA-N 449.471 1.946 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(N2CCOCC2)CC1 1555631954 HSALLWVNIQMQMM-SFHVURJKSA-N 432.569 1.997 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccsc2)C1 1555812271 CBQUWMXPQGWFFN-INIZCTEOSA-N 436.563 1.461 30 10 IDEE N#Cc1cccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1555986433 KVIQTIMPTQGGPU-HUUCEWRRSA-N 447.421 1.210 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)ccc2c1=O 1558981912 QZQWUDASUAFSNH-HXUWFJFHSA-N 433.555 1.912 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@@H](O)CC2(C#N)CCOCC2)C1 1559508672 PGKQKACAKMERGH-MSOLQXFVSA-N 438.569 1.411 30 10 IDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1562117261 AEWCTSRQBSVKNL-DOTOQJQBSA-N 439.534 1.709 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 1570823873 JWJCNSRJMOQVFJ-AWEZNQCLSA-N 449.451 1.784 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnnn1-c1ccccc1Br 1585296716 MOTLZHBLUVISMN-BMRADRMJSA-N 431.250 1.286 30 10 IDEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1586966062 UEHIBTSNIFTHDV-UHFFFAOYSA-N 437.562 1.133 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1OC 1587561602 FOAFANWLKYDTGM-CABCVRRESA-N 435.550 1.606 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587632984 QNVVKCDFWSDKDW-IAGOWNOFSA-N 428.537 1.885 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1588040885 REMBYOYMFZRHRN-SFHVURJKSA-N 439.545 1.311 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1588045380 JLTKAFNLVWUZBL-QGZVFWFLSA-N 437.529 1.308 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1588055276 URFNSNHDAYGEBL-RBUKOAKNSA-N 444.557 1.747 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1588732761 FWZBXGXCVGQFFN-WMZHIEFXSA-N 429.613 1.682 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1588763119 RTTAYEBMHCIOCG-UHFFFAOYSA-N 445.589 1.922 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cc(C)nn2C)CC1 1588871614 KCCHABLBAPFFQF-UHFFFAOYSA-N 435.532 1.711 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1594733599 VSAWECHIPQHZFA-OAHLLOKOSA-N 426.568 1.670 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595569521 INXBSZUQFSJAAK-INIZCTEOSA-N 426.521 1.041 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595797972 KHGLOLJFTDMNEW-SQGPQFPESA-N 440.566 1.157 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)C1 1597630060 SUCITLUSIAJFPX-YYIAUSFCSA-N 448.524 1.193 30 10 IDEE CCN(CC)CCOCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1615450472 RGJRZJNJHULZQG-KRWDZBQOSA-N 427.557 1.322 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1615956261 GGIJIAUBXIXTHP-UHFFFAOYSA-N 433.520 1.759 30 10 IDEE CCCCc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 1618171843 PGKBGXMWEBLLRA-NPPFBWRTSA-N 429.542 1.779 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1619911232 LYIYPYUVVXYWMI-UHFFFAOYSA-N 447.927 1.609 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1620066252 LYXJBAUNNNHVDG-GOSISDBHSA-N 436.520 1.975 30 10 IDEE CS(=O)(=O)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1620162351 BIEFUDJFNDCFAZ-ZDUSSCGKSA-N 425.461 1.311 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)cc1 1620352556 UCASCFSENBFLMF-IEBWSBKVSA-N 440.504 1.236 30 10 IDEE CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N3CCN(C(=O)CC#N)CC3)o2)CC1 1630035024 ZLCIZUDXVLQQTO-UHFFFAOYSA-N 431.493 1.987 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCN2CCOCC2)CC2CC2)ccc1F 1630279394 XDIVLTQDOMSFKO-UHFFFAOYSA-N 425.526 1.474 30 10 IDEE C#CCN(CC(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C 1631223462 LINYROUTGMORBQ-LJQANCHMSA-N 448.951 1.881 30 10 IDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1632532892 KBHKQTYASPQVHW-ILXRZTDVSA-N 426.514 1.791 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1633196708 ZPRYGMSFKJYCDD-IAGOWNOFSA-N 427.548 1.354 30 10 IDEE CN(C)CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1635120383 RDCFXGTWJIZMFV-IAGOWNOFSA-N 444.598 1.541 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OCC)c2cccc(O)c2)s1 1635959591 KXTPOEZCYUXNAD-SFHVURJKSA-N 438.527 1.881 30 10 IDEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1638124808 CNOIZXMINRXUJK-ZCXUNETKSA-N 425.894 1.666 30 10 IDEE Cn1ncc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c1I 1640347898 YVHNSKQAVTZPSI-UHFFFAOYSA-N 433.213 1.917 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCN1CCN(c2ncccn2)CC1 1640968491 DUBIIMMPSJQHIB-GOSISDBHSA-N 445.568 1.692 30 10 IDEE CC(C)(C)N1C[C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 1645988292 YBLSEWLPZRMVMG-WBVHZDCISA-N 425.489 1.526 30 10 IDEE C=C(C)Cn1c(SCC(=O)N[C@H]2C(=O)NCC23CCOCC3)nnc1-c1ccco1 1651703818 BCFAJEGRGWTCRJ-INIZCTEOSA-N 431.518 1.618 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1652173007 LSSJEIAOOIAYJW-CTNGQTDRSA-N 433.574 1.148 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1655784389 UYIBTVDMBGQUGB-SJORKVTESA-N 434.518 1.215 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1 1664311482 IOFOZADSUAHTAN-UHFFFAOYSA-N 426.336 1.710 30 10 IDEE C#CCN(C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CCN(C)CC1 1674861265 FPFHNORNSRLNFL-UHFFFAOYSA-N 432.590 1.887 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)cc1 1683502413 MHOGHOZISYJFPX-QZTJIDSGSA-N 425.938 1.850 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC1CC1 1689841513 IFEUVQLKEOEDEL-HNNXBMFYSA-N 430.530 1.999 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1689901172 DANCHQPQFSFXAU-QFIPXVFZSA-N 425.537 1.690 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1689943199 NGFSTYORUVHSMJ-LJQANCHMSA-N 442.564 1.483 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1690077081 IGKJLEVZRZSIIB-LJQANCHMSA-N 443.573 1.525 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC 1690209342 UAORWOUFMOMBCV-OAQYLSRUSA-N 426.546 1.892 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](COC)C1 1690254982 MNYXHOACURYIHO-RMMWZPCPSA-N 436.553 1.835 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC2(CCN(C)C2=O)CC1 1690667114 QJRWMVSTVXSXQJ-UHFFFAOYSA-N 438.532 1.705 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690676704 AXKMVCKHGUXPKZ-UHFFFAOYSA-N 425.415 1.488 30 10 IDEE Cc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1693266274 BSOWRKRATBEBPR-HKUYNNGSSA-N 446.577 1.901 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693759696 LYURXJMNYXGKNA-VDVXRXHMSA-N 444.536 1.702 30 10 IDEE CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1695440252 HBYPICJJTXSVKC-UHFFFAOYSA-N 445.531 1.850 30 10 IDEE CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1696131309 GQIQIDHZJHGGGD-KRWDZBQOSA-N 440.504 1.585 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1696454804 NRCPUUWAUINWQR-UHFFFAOYSA-N 444.561 1.746 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COCCO1 1697627711 DZCROBONLCFFTM-HOTGVXAUSA-N 431.518 1.723 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC[C@H]2CCCO2)cc1 1698488231 MXKIQOTZWNFHTD-LJQANCHMSA-N 429.546 1.971 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)CC1 1698491480 CWLJGMYCWCKSCC-INIZCTEOSA-N 434.566 1.356 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1705567072 SYTHRCSNBLFVQL-SJORKVTESA-N 449.964 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CSCCS2)CC1 1705652577 FJIJXCPLHRKVFO-IAGOWNOFSA-N 435.619 1.944 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2OCC)CC1 1705900676 LXRXSFRVBMNGSN-UHFFFAOYSA-N 448.531 1.763 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705936284 NLEVDPYSHHLGIZ-IAGOWNOFSA-N 439.582 1.616 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1706643770 DOZAVTXEJURCEX-SFHVURJKSA-N 435.532 1.836 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1ccc(C#N)o1 1706862791 SIACMFCBTLJKRL-ZDUSSCGKSA-N 436.538 1.795 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1711444388 IVKKOZNNPGOFKU-RBUKOAKNSA-N 425.489 1.746 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@H]1OC 1712684653 BUINBDUHFDVCIL-LVCYWYKZSA-N 445.545 1.447 30 10 IDEE N#C[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)CCO1 1712884869 URNQVEQVCMNOGD-INIZCTEOSA-N 448.478 1.463 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722280971 LUJYPTLOFNOPKT-GJZGRUSLSA-N 432.506 1.593 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1722371413 WFLLMPVISVJZJA-SFHVURJKSA-N 438.500 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2OCCC2(C)C)CC1 1722444676 MNCHQACZSVWOAT-HKUYNNGSSA-N 447.580 1.783 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CCOC)c1 1722465975 HUZDOHNJDBFZHM-JOCHJYFZSA-N 434.504 1.809 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722486757 CZVAMJMQAKUDCY-AWEZNQCLSA-N 432.388 1.905 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722534661 VIHIRMOXLDGVQD-UHFFFAOYSA-N 439.520 1.377 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCC(C)C)C1 1722727440 OMSZTYUJWQAMGE-JKSUJKDBSA-N 425.555 1.081 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722730041 GMYKVPHLIFOXOX-ZIAGYGMSSA-N 449.499 1.636 30 10 IDEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)s1 1726331218 IBTOLBLIRFETCM-UHFFFAOYSA-N 438.561 1.988 30 10 IDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1728086123 RTZBAGJUUQTBDL-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1729666224 VZAPINQKNIYCJO-LJQANCHMSA-N 425.537 1.357 30 10 IDEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1730434282 QSFVASLXKVMXOX-QZTJIDSGSA-N 427.505 1.850 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1730680060 SJDPRGNFJNKTLY-SFHVURJKSA-N 439.520 1.711 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740577042 PXIVIFUZSBSORY-FQEVSTJZSA-N 439.564 1.923 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740621313 LLECDIBMNKICNB-SFHVURJKSA-N 439.541 1.989 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740624363 IGUGMHPZGUBLMU-OAHLLOKOSA-N 443.520 1.019 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740624721 JKGXUBITWBQPQG-SXLOBPIMSA-N 443.573 1.706 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)CC1 1740699248 ZIWZUCQXCLZAAU-UHFFFAOYSA-N 435.532 1.185 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2C(C)C)CC1 1740705961 OXCSKKNBIJKABN-FGTMMUONSA-N 433.578 1.363 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740874012 KXFVPQGIBNRQRE-YZGWKJHDSA-N 443.596 1.574 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1740921607 ZIYHPUGYQKCTTP-UHFFFAOYSA-N 439.495 1.869 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1740957231 GREYVCGUXYMLFS-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(OCCN2CCCC2)CC1 1740957273 IDDASLABADOFFF-UHFFFAOYSA-N 440.552 1.119 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1746188454 YWEFZEGSLKEHHQ-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1748698404 UVTOSSYUNSKXPX-UHFFFAOYSA-N 438.536 1.443 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCOCC1 1748853108 UCFTYVFFAZBDTR-HXUWFJFHSA-N 431.544 1.558 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC(C)C 1748902305 KYKGBTXWTWXYGW-RTBURBONSA-N 449.621 1.987 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1748965404 SDKUFIZQNDVGNM-ZULIPRJHSA-N 425.533 1.370 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749317566 SMMRGWBUDHFNCZ-BZSNNMDCSA-N 439.582 1.440 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749362868 WQTUCAXOCILQPC-NSISKUIASA-N 428.512 1.958 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1749464776 DOCLIUCGQXBDLP-MRXNPFEDSA-N 433.582 1.944 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1 1749528104 COPYWOCZHHVHNV-QHCPKHFHSA-N 441.532 1.867 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1749599791 LRPQPZUJXCXDOL-MSOLQXFVSA-N 439.582 1.078 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1749649833 CIMSPJNUNBSRHW-JZXOWHBKSA-N 429.525 1.586 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1749650372 UNVPOGMLEHDBBI-UHFFFAOYSA-N 430.472 1.736 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1752423989 DJTMSGIBSDSGAT-QGZVFWFLSA-N 437.548 1.629 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1760117399 OJMAVHJRPONRAT-APWZRJJASA-N 449.552 1.759 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1760154801 JCRZAZOQCVQQIH-IBGZPJMESA-N 425.489 1.499 30 10 IDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760156605 MPJAIUUQNYYDPC-UHFFFAOYSA-N 440.573 1.615 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)CC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1760242981 TZLHCWFNBXXRAQ-ICBNADEASA-N 425.533 1.685 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCO2)CC1 1760261408 QYMJZSVCTRVICK-KRWDZBQOSA-N 426.546 1.370 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 1760264275 HIQINJIRJJZHCV-JOCHJYFZSA-N 429.496 1.557 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1760364040 DCOGVRKZVANDJM-UHFFFAOYSA-N 438.532 1.409 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1760525128 VKCKORILZLIRET-AWEZNQCLSA-N 432.475 1.541 30 10 IDEE CC(C)CN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1761103972 LWZZQIXPPDNABZ-ZPHPHTNESA-N 431.541 1.814 30 10 IDEE CCOCc1nnc(N2CCC(OC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766325513 MZXBHUNWFMRZHV-FMQUCBEESA-N 432.525 1.735 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC[C@@H]1C 1769089941 IBDKVPTTZRYKPS-WBAXXEDZSA-N 437.504 1.666 30 10 IDEE COCCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1769913048 IEWKNGCRCMTXQE-SGRLSNSRSA-N 445.568 1.160 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1cc(C)cn1 1770045049 WZWJOBSIFJETRP-HKUYNNGSSA-N 428.541 1.384 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCN2CCCCC2)cc1 1770740341 DOPHGTGRZUPGKI-UHFFFAOYSA-N 437.548 1.931 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1771360906 GLFBOLSQDWTCOT-HZPDHXFCSA-N 436.563 1.083 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(C)c3)CCCCC2)CC1 1772520285 TTWSOTQSZUOPCP-UHFFFAOYSA-N 432.590 1.992 30 10 IDEE C=CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c1c(F)cccc1F)[C@H]1CCN(C)C1=O 1849208478 SDVYTSZGRGIKHN-IRXDYDNUSA-N 443.516 1.903 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2cc(=O)n3ccsc3n2)cc1 1852812863 UOSHILOCXVAWND-IBGZPJMESA-N 426.498 1.924 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc4ccccc34)C2)CC1=O 1856804726 DWIRTKDSYINOHS-DLBZAZTESA-N 430.482 1.722 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN(CC)CCO 1870648265 PNBOBOIBWQEDIC-UHFFFAOYSA-N 429.517 1.552 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224071844 MWXWHJNJLOTWHT-UHFFFAOYSA-N 432.330 1.292 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618599 IIIDJUFCGWIFDI-OKILXGFUSA-N 432.330 1.933 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255654986 GOGVXFZECCGQJQ-UHFFFAOYSA-N 434.346 1.920 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825782 FWCMJDASKJEXQI-KCQAQPDRSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)CC1 2255857102 FJVMIZKHSSKQJT-QGZVFWFLSA-N 433.358 1.775 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCCN1C(=O)OC(C)(C)C 2267260288 MDFHGWKVFYZTTN-NRFANRHFSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2267278233 ZWJYBXIGQSGAFE-GDBMZVCRSA-N 449.357 1.974 30 10 IDEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)nc1B1OC(C)(C)C(C)(C)O1 2267505441 IQTONPGHUZIBSF-RYUDHWBXSA-N 442.247 1.097 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267599701 UGDCFIFWOQPKGE-WMLDXEAASA-N 449.357 1.282 30 10 IDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267882427 SHAZXNOBTGAAKG-ZIAGYGMSSA-N 444.341 1.713 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315537724 YZMJKDTWXHCAFM-KGLIPLIRSA-N 434.346 1.705 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2315606196 HRPXAJFGUASVDI-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2337196978 QYBWFYGLOYJLBT-GJZGRUSLSA-N 446.357 1.801 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 32831398 HRALBFGCOHSAJY-KXBFYZLASA-N 437.522 1.344 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CC1 106069882 WYXLOYMGYTYYSK-UHFFFAOYSA-N 426.561 1.304 30 10 IDEE C[C@](O)(C(F)F)[C@@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO 199959566 HJOKUNVOXGDMLS-PGRDOPGGSA-N 427.407 1.292 30 10 IDEE CCN(CCC#N)S(=O)(=O)N1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 409594241 AMDCDKUZPQZGTR-KRWDZBQOSA-N 428.942 1.652 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)CCOC)cc3)cc2C1=O 428463471 VKMKZRSTPFTODM-UHFFFAOYSA-N 442.493 1.819 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c(F)c1 443098837 ZJTULEAIPQVEKL-UHFFFAOYSA-N 433.433 1.373 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](CO)(c2ccccc2)C1 460367874 CLAQDDBTJLRNHR-UTKZUKDTSA-N 433.578 1.995 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1 477404188 UBVWRJRBOKSLAZ-UHFFFAOYSA-N 428.514 1.926 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1 483579885 XSYYLOUEFPEQNF-PBHICJAKSA-N 444.517 1.419 30 10 IDEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 506873279 FNNSWEWQSKRERT-UHFFFAOYSA-N 435.506 1.989 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 508476888 HYIXNQIRSBFTAP-SFHVURJKSA-N 433.534 1.204 30 10 IDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1 523356908 LHIGZWNHEOFBBF-NVXWUHKLSA-N 436.559 1.460 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCCC2)CC1 524486540 ABGOLQSGFSPYPP-GOSISDBHSA-N 441.532 1.097 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552359668 MXWWYEOHPCOSAV-WTGUMLROSA-N 443.475 1.865 30 10 IDEE C=CCOc1cc(NCC(=O)NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1 586267486 DFMZYCWFWPPHRJ-UHFFFAOYSA-N 428.474 1.453 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 589464835 XVYXIMBMZUYUOA-GOSISDBHSA-N 436.497 1.985 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 611552220 SCAVZEIEMXACFX-YADHBBJMSA-N 431.556 1.481 30 10 IDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 619780041 ALHCTGNJJZKTQY-ZACQAIPSSA-N 437.949 1.938 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn3ccccc23)c1=O 729670141 JKPWQYFXMYAXTD-UHFFFAOYSA-N 438.509 1.239 30 10 IDEE O=C(CC1CCCC1)NC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731345424 UEQYKOBGBZIMFF-UHFFFAOYSA-N 446.573 1.803 30 10 IDEE COc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)N2CCOCC2)cc1OC 732677024 QWHKEGDVBJENNA-UXHICEINSA-N 443.548 1.459 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 734294503 RUHKTFJSQOXLMT-UHFFFAOYSA-N 448.526 1.168 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)cn1 735068862 GXHSTCHEPFZDNW-UHFFFAOYSA-N 433.537 1.346 30 10 IDEE C[C@H](CC(=O)OCC(=O)c1ccc2c(c1)OCO2)/N=C1/NS(=O)(=O)c2ccccc21 745496383 MLEIVFLSVYJHGI-GFCCVEGCSA-N 430.438 1.659 30 10 IDEE Cc1ccnc2[nH]c([C@H](C#N)C(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)nc12 750721111 APVSMMVCJWZHQJ-APWZRJJASA-N 428.452 1.918 30 10 IDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 762613700 WGAHPRIEIAICCV-HNNXBMFYSA-N 432.502 1.538 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 766778697 XKHQYKJHIVUXNV-ZDUSSCGKSA-N 425.283 1.771 30 10 IDEE CC1CC(C#N)(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 767421754 ILIBJRDPGDKZJD-KPKJPENVSA-N 431.514 1.614 30 10 IDEE COc1cc2c(c(OC)c1OC)CCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC2 770394763 CZWLJYTXZXJFBC-UZYVYHOESA-N 444.488 1.349 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@H](O)c1ccc(F)cc1)C1CC1 771642952 DPQDOVSSAMYIIJ-SFHVURJKSA-N 431.489 1.979 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 772278221 MSAGUYYTWJOSRC-INIZCTEOSA-N 426.542 1.894 30 10 IDEE C#CCN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 774211928 VXDOADZYJXMCIZ-RDJZCZTQSA-N 437.537 1.680 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 779893012 MICTWXGIGYVTJR-UHFFFAOYSA-N 428.898 1.002 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc1C#N 788040953 RCGCRQRWWBJCRA-UHFFFAOYSA-N 449.555 1.820 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 800784448 JLOFGXFPTAMVSK-SJORKVTESA-N 426.477 1.825 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H]2C[C@@H]2C(F)F)C1=O 807937219 YMPHRFDBLHRLRG-CFTLXEEZSA-N 439.532 1.646 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC(C)C 812222130 RCORRVPIGFYPCC-UHFFFAOYSA-N 441.557 1.695 30 10 IDEE CCn1ncc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)n1 815427712 JMMTYJQPJMKRKD-CQSZACIVSA-N 426.477 1.824 30 10 IDEE CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)c1C(F)(F)F 816695657 IAJQFDRKBAHDCI-ZDUSSCGKSA-N 426.351 1.788 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)ccc1F 915150798 LPAPGBULDFFXSJ-CQSZACIVSA-N 438.506 1.990 30 10 IDEE C=CCn1cc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 1084107343 JJKZLDBFRFEKRJ-UHFFFAOYSA-N 440.489 1.770 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(N(C)C)cc3)n2)o1 1084162815 UBXLKMASGVMANX-UHFFFAOYSA-N 429.510 1.671 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 1084356894 RRJQINNJIMKSTE-UHFFFAOYSA-N 445.465 1.733 30 10 IDEE C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1142202051 DALJCIDQLINGAK-BPQIPLTHSA-N 434.537 1.419 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)C[C@@H](CO)C3)nnc12 1161487547 QYSGLAYUCOKHSD-HUUCEWRRSA-N 427.530 1.799 30 10 IDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CSc1ccc(C#N)cc1 1162121874 QQYLWJVSJIJALJ-UHFFFAOYSA-N 434.499 1.995 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1181103418 KQDNHOHEXLEYSU-RHSMWYFYSA-N 429.420 1.256 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCn3c(C(F)(F)F)nc(Br)c3C2)n1 1248552475 JCWVOPPYRVCDBV-UHFFFAOYSA-N 433.192 1.353 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1286380850 JOSNKVUACYZTFR-INIZCTEOSA-N 441.623 1.432 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1286448572 YFPALYAUVJHOOG-MRXNPFEDSA-N 434.541 1.571 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[C@@H]2COCCO2)CC1 1286484587 RUIZMLXNLFTAIC-OAQYLSRUSA-N 425.533 1.726 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1286786048 MZEVPGSTJGPJBV-NVGCLXPQSA-N 427.336 1.552 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286817234 LGIFJZNEZZNTIA-INIZCTEOSA-N 447.627 1.110 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 1291742151 GTTLXGCJIXERBS-UHFFFAOYSA-N 426.429 1.980 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300325020 QVQJQDPYBDQLCS-KKSFZXQISA-N 432.546 1.427 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300761194 ACHHHOPOAUFDOC-QAPCUYQASA-N 448.570 1.780 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1301273702 VRRVYNICJWXLNS-CYBMUJFWSA-N 433.538 1.454 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301448884 GSJLMBYCZSVLRB-BTYIYWSLSA-N 426.525 1.320 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1301501223 TXXLVHAXFHDWKP-SFHVURJKSA-N 438.532 1.613 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1301506678 OIIMKWJRXTVYIU-UHFFFAOYSA-N 445.527 1.529 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCOC2(CCOCC2)C1 1301515233 SAOGQLVJCIYSHF-UHFFFAOYSA-N 445.495 1.684 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1303008901 BWQSLECCNYATFP-CQSZACIVSA-N 442.373 1.403 30 10 IDEE C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1307291605 VRZGTUJOZXIKBA-QFIPXVFZSA-N 432.392 1.661 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)CC1 1310591574 WYLVOUODGASXKR-CQSZACIVSA-N 440.394 1.363 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1ccnn1 1314896141 WNGDMIDAKRYCCB-AWEZNQCLSA-N 446.313 1.457 30 10 IDEE COCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316268771 XNOPPHSJNJTICX-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(OCC#N)cc2)CC1 1338445481 FCYBQYYTMMQPLI-UHFFFAOYSA-N 429.502 1.851 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1354359768 AJSHBVPPDVEFKF-ZYNBKEAPSA-N 444.517 1.225 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1358872631 WWCIEOIZJHAJLH-FCEWJHQRSA-N 448.593 1.658 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1OC 1358936874 AAXRSPYWBBEMFV-UHFFFAOYSA-N 427.505 1.852 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)C(C)C 1358975752 CRERDVCQMBHFKA-GOSISDBHSA-N 428.562 1.982 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OCC)CCCC2)CC1 1359045004 TZWDWZGPEIRODM-GOSISDBHSA-N 442.564 1.544 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1359100641 DUFPPOOWDZBXSR-AZUAARDMSA-N 425.537 1.707 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1359226985 QJZQDDUCUNFIGY-INIZCTEOSA-N 431.566 1.913 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1359303828 BXZUDOSPJQOTEO-ROUUACIJSA-N 430.553 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2ccccc2OC)CC1 1359332962 LBVAQWSMQHQZOA-UHFFFAOYSA-N 433.578 1.772 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1359466667 FQIFHIXAHIVCTI-JKSUJKDBSA-N 425.603 1.749 30 10 IDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359574839 LVFMYZJRXIOWBM-DLBZAZTESA-N 431.541 1.831 30 10 IDEE N#CCc1cccc(NC(=O)c2ccc(I)cc2-n2cnnn2)n1 1438840180 KHDVNLZFELMZJY-UHFFFAOYSA-N 431.197 1.980 30 10 IDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCN(CCC#N)CC3)cnn2c1 1454909465 PSEVGSPVQAVLRX-UHFFFAOYSA-N 427.509 1.468 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)c1 1456441463 HPVMOZAQMIVXLM-UHFFFAOYSA-N 441.509 1.776 30 10 IDEE COc1ccc(CC(=O)N(CC#N)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 1461246510 LDVXESFXZHWMMW-UHFFFAOYSA-N 430.486 1.210 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(Br)c1F 1462874704 OOTMHNVEUUTVSK-VIFPVBQESA-N 428.276 1.538 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1463611758 ZOMRNAJSEFFYER-CMPLNLGQSA-N 431.312 1.760 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 1464843957 IHKWAOYUEGODDT-UHFFFAOYSA-N 427.567 1.473 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1 1475620712 PXELLGLJFMAWSA-UHFFFAOYSA-N 433.511 1.360 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1492561766 BAMFOVXXMOKALY-NRFANRHFSA-N 429.546 1.933 30 10 IDEE CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1503200002 ZRRKYIOAYBMNGT-UHFFFAOYSA-N 447.503 1.555 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1503373685 DEXVKZYSZCZVET-RBUKOAKNSA-N 435.532 1.648 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)O)CC1 1503376502 CODGNCXJVBDINZ-UHFFFAOYSA-N 425.537 1.188 30 10 IDEE COC(=O)[C@@H]1CN(c2nnc(C)n2Cc2ccc(C#N)o2)C[C@H]1CNC(=O)OC(C)(C)C 1503905530 WYGJNLYGHNLMEF-RHSMWYFYSA-N 444.492 1.850 30 10 IDEE COCCOCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1505046843 DDQGHUQPRWTJJA-GOSISDBHSA-N 425.493 1.298 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1507539690 XLSLBRAWMGOGRZ-HOTGVXAUSA-N 425.624 1.466 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507572472 KOXSSVZILSOGDE-QGZVFWFLSA-N 442.907 1.916 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1507605760 YERUTDJLSVMQLU-QFIPXVFZSA-N 429.496 1.957 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC[C@H]2OC)CC1 1507736335 ITDLEVRYRBVAJN-IEBWSBKVSA-N 426.521 1.291 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507745246 VEAXGAFNKBWRDI-QGZVFWFLSA-N 426.546 1.876 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1507774778 BXBOTBXXIAZBOZ-OAHLLOKOSA-N 443.390 1.872 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1507813045 RUQSMOWJWFWWKT-DOTOQJQBSA-N 426.587 1.549 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)n(C)c2=O)CC1 1507896454 JTAWMYYXHLIUCT-OAHLLOKOSA-N 434.566 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1508132378 XOTYMVCQUDFVAB-UHFFFAOYSA-N 443.533 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1508144933 UZAMFBQNIBILJT-MSOLQXFVSA-N 432.594 1.784 30 10 IDEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1508703058 FPVLCLVDGHFJKV-UHFFFAOYSA-N 429.569 1.755 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1516975839 BTTQFEVDIGBOII-MRXNPFEDSA-N 443.939 1.722 30 10 IDEE COCCN(C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1519121121 ASJINHOSMIHCIL-HXUWFJFHSA-N 428.537 1.781 30 10 IDEE CCOC(=O)C1([C@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOCC1 1536891685 DYIBSWLJQHWFAX-HNNXBMFYSA-N 437.518 1.357 30 10 IDEE COC(=O)c1ccc([C@H]2CCCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1C 1537933306 XJSBVITWZDPJJM-MRXNPFEDSA-N 444.513 1.604 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)N1CCOCC1 1539096093 QIKOTHSTPHZRCS-UHFFFAOYSA-N 449.353 1.755 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCOC1=O 1539154071 GEBFAHDZUQJCDB-UHFFFAOYSA-N 446.533 1.107 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C(C)C 1539668804 GGGVTNPUYJTKCA-QGZVFWFLSA-N 428.603 1.354 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 1540109497 YSQAEWCQXTUIGB-MSOLQXFVSA-N 429.569 1.327 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1540201195 PZUILHJFSFNNEB-UHFFFAOYSA-N 448.589 1.756 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1 1540861677 BLUBVBINCDIKOZ-UHFFFAOYSA-N 439.564 1.662 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1540915481 LVTIUOOGKSBBEJ-IAGOWNOFSA-N 432.594 1.891 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)cs1 1542926020 NREKGONANWFXKC-VQIMIIECSA-N 433.607 1.800 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C1=O 1544033562 DUFVBZOSGWMMKD-UHFFFAOYSA-N 430.408 1.845 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n[nH]2)c1C 1544674580 VWMVFOVQQXDCPL-NRFANRHFSA-N 425.493 1.526 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1545422366 CNJDNKGKDLBQMI-APFMSCDFSA-N 443.552 1.800 30 10 IDEE CC[C@@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1545503456 AQJKAAPURGUDNF-UDJKBAMHSA-N 429.525 1.377 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1545928803 KFXZDEQFAQAUQZ-UONOGXRCSA-N 432.447 1.893 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1548276200 SDZZOUNGZXQWRO-SJLPKXTDSA-N 429.477 1.125 30 10 IDEE CN(Cc1ncc(Cl)n1C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554200498 CKHUJUSSCXTHSY-HNENSFHCSA-N 444.927 1.780 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)C[C@H]1O 1554545046 FMIFAQODEALDFL-IEBWSBKVSA-N 435.488 1.267 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1555556759 HJEBEDLYKUYXDI-INIZCTEOSA-N 447.540 1.463 30 10 IDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1583653377 PVFXMMOUEDIDQX-MRXNPFEDSA-N 426.466 1.744 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1584123959 LURNLZNDAREEPA-HSZRJFAPSA-N 436.512 1.853 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)CC1 1584999981 IAEMRDOMIABZRW-GUDVDZBRSA-N 432.565 1.306 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2nnnn2CC2CC2)c1 1587693132 PNBMCVOIVPIKRY-UHFFFAOYSA-N 447.547 1.978 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1587847019 ASJHRZSJPCQXTC-UHFFFAOYSA-N 433.516 1.568 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1588185575 JLLCXDCFAZTXSJ-DENIHFKCSA-N 428.533 1.936 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1588267002 ZSAFFFGWTSBXRQ-INIZCTEOSA-N 429.550 1.788 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1588806183 ITGPWFPYGHZEFG-UYAOXDASSA-N 440.523 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C)n2)CC1 1588884966 PVJPGEKKJMIKAH-UHFFFAOYSA-N 437.548 1.328 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1589708783 UNGWGDMSHZPVAR-AWEZNQCLSA-N 438.554 1.466 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(=O)NC)CC1 1595556322 RKLZTEGDEKEPBF-UHFFFAOYSA-N 446.502 1.802 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1610904240 SFOOMQPNUANCGK-NQIIRXRSSA-N 429.525 1.414 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1)N1CCOCC1 1611599160 KIDVXPFQTBREHQ-PKOBYXMFSA-N 426.521 1.675 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1616564624 DUARTSHXZDUNFM-MTCRFPMVSA-N 439.491 1.820 30 10 IDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C)C(=O)OC(C)(C)C 1627003133 VXASOUDRNGXCMD-UHFFFAOYSA-N 443.953 1.913 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1 1627743166 FYYCRYNKNNLPMB-QXMHVHEDSA-N 441.553 1.986 30 10 IDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 1628907148 BMWTYIHLXJIIFD-FPLPWBNLSA-N 425.514 1.853 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC(n3nncc3I)CC2)nn1 1636330582 INPOMCJNKRNYFD-UHFFFAOYSA-N 442.265 1.207 30 10 IDEE Cc1ccc(-c2nnc(S)n2CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1636512358 CMDIIVKKXHBDQL-HNAYVOBHSA-N 431.543 1.329 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1 1639880997 RWCRUSFBUJJFKL-CQSZACIVSA-N 433.452 1.824 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccncc1)C1(CO)CCC1 1642234313 LTRLNNFKHDQJRX-IBGZPJMESA-N 428.514 1.530 30 10 IDEE C[C@@H](CC(=O)NC[C@]1(c2ccccc2)C[C@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1645478289 AFDQSHMWVPNDJA-YHEJKZAPSA-N 427.526 1.713 30 10 IDEE Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1Sc1cc(C#N)c(Br)cn1 1649811278 RQOUADHEFVKSOD-SECBINFHSA-N 428.337 1.973 30 10 IDEE CCN(CCC#N)C(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1659348859 QVUYSMUNYSUWBN-HIFRSBDPSA-N 434.459 1.602 30 10 IDEE CC(C)(C)OC(=O)[C@](C)(O)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1661344860 DECSLZPNCOYFBV-OAHLLOKOSA-N 437.287 1.831 30 10 IDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(F)cc3C#N)cc2)CC1 1663370592 WFPRRASCCUPUKM-UHFFFAOYSA-N 430.505 1.985 30 10 IDEE Cc1cc(C[C@@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n(-c2ccccc2)n1 1680766013 FOIHXRQOLKGFKD-CQSZACIVSA-N 433.472 1.512 30 10 IDEE C#CCC1(O)CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1680853147 JYXKHLWHGLGTBF-LJQANCHMSA-N 431.508 1.403 30 10 IDEE C#CC[C@H](COC)NC(=O)NC[C@H](O)COc1ccc(I)cc1 1683130369 KEIWLPZUOWNYEW-KGLIPLIRSA-N 432.258 1.368 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1685843827 AILJADAFTWNGJD-RDYUPDBUSA-N 444.550 1.140 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1689984022 JSXGGLKGQXLYRD-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1689985712 ABHJNJQWXKIKQP-GOSISDBHSA-N 429.546 1.487 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1689994111 RFLPBCUPVBHXKK-FQEVSTJZSA-N 436.541 1.528 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(OC(F)F)c2)CC1 1690124477 MBJCGVQTAXBHCS-KRWDZBQOSA-N 432.475 1.972 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCNC(=O)c2occc2C)CC1 1690129084 OXONBEQCKAEGMR-UHFFFAOYSA-N 447.543 1.741 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690166211 YGBSBLTXXBYQOJ-OAHLLOKOSA-N 442.545 1.543 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1690292768 QWMMSJFUTVCTOB-UHFFFAOYSA-N 437.548 1.737 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690317184 UJIMETOEHAPXNM-INIZCTEOSA-N 425.555 1.007 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690506024 AKQBICPTEKGXCJ-UHFFFAOYSA-N 440.552 1.072 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1690622663 UWOXGQOBWBWHMM-MRXNPFEDSA-N 444.623 1.731 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1690677397 WBBHBVZVQUIYQR-UHFFFAOYSA-N 448.474 1.357 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1695983568 IPGMBAIWUOQBRR-IAFNSTAXSA-N 431.497 1.082 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C1 1697060875 UGRXIWUCJZQTJL-ZDUSSCGKSA-N 440.485 1.782 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705538733 YYOKSGIKZHWXIJ-MRXNPFEDSA-N 441.561 1.723 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705570684 SLLVAJQOWHWMHE-LAUBAEHRSA-N 433.578 1.116 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC(C)(C)C2)CC1 1705643436 GBFSLIACYQCHFR-SFTDATJTSA-N 444.624 1.879 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(F)cc2C1 1705652042 OHSORXDCIHXXIO-CQSZACIVSA-N 437.566 1.957 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1705703772 OUVDCSFCGJNWTC-JXFKEZNVSA-N 443.552 1.391 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccc(C)cc2)CC1 1705763247 QYZVFVSNTORAKK-QGZVFWFLSA-N 446.577 1.783 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(OCCOC)CCOCC2)CC1 1705780229 JXUGFQUSCIQXRY-SFHVURJKSA-N 433.553 1.844 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1705883837 XFFDBRJRJSOVKF-UHFFFAOYSA-N 428.518 1.826 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](C)[C@H]1C 1705898467 MOCQPLBNAHGAME-HUUCEWRRSA-N 439.549 1.553 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1705906244 XUPYZBWCDWIQEL-WMZOPIPTSA-N 438.532 1.893 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC[C@@H](C2CCC2)C1 1705934238 GHLBTSDDKYXOFO-DLBZAZTESA-N 437.566 1.083 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705935878 FUPBRUIJFLDZHL-HOTGVXAUSA-N 441.554 1.098 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1706036492 IDMRQEVAUSYUKS-AUSIDOKSSA-N 437.548 1.236 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1708264033 CXOVZGUVLFZHPA-SJORKVTESA-N 441.536 1.150 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1711288468 DQNOKRDBVVEGNC-SFHVURJKSA-N 426.521 1.831 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)c1 1711331956 VPPYFAFQFOCHCF-BTYIYWSLSA-N 430.484 1.852 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1722333702 YCCBKGYGWSOAKZ-HZPDHXFCSA-N 427.596 1.356 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](F)COC 1722395226 VHEDHKIQGCGXLN-QGZVFWFLSA-N 446.552 1.994 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCOc2ccc(OC)cc2)CC1 1722437825 ISLQKKDSEYAEPA-UHFFFAOYSA-N 433.516 1.968 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)CCOC)CC1 1722439643 JUHKDRQTXBGNBS-QHCPKHFHSA-N 437.548 1.059 30 10 IDEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)CC)C1CC1 1722648888 XXVYYBRKAWUTSU-UHFFFAOYSA-N 433.534 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722729163 XILAHLBDTAXMAV-IRXDYDNUSA-N 448.545 1.659 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccn(Cc2ccccc2)n1 1723619709 AYAWQNIEWRNDAB-IBGZPJMESA-N 434.504 1.438 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1727650780 ABFIWMVQWIDPLH-LLWUOSFCSA-N 449.515 1.495 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1728690566 UXUVEOIKZMGFJZ-CGTJXYLNSA-N 448.524 1.777 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1730758956 FVWSUFXDHVXAJH-UHFFFAOYSA-N 445.568 1.672 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1730953774 ASZAISOALVEFQX-ZWOKBUDYSA-N 444.511 1.984 30 10 IDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740582226 LPSOIEQQWISWNM-UHFFFAOYSA-N 436.516 1.294 30 10 IDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740591505 TTZZNHKASBXTJW-JBACZVJFSA-N 428.581 1.922 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621332 LUIXCBZHGPGKIC-QXAKKESOSA-N 446.577 1.366 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740623762 AJSSMIVGMUKLLD-UXHICEINSA-N 433.622 1.979 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1CC 1740657446 SFWRXMKMFXPOBH-AQNXPRMDSA-N 447.605 1.900 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1740694084 YALNEUMWRMYHLH-UHFFFAOYSA-N 437.548 1.962 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1740764025 SZRPCYATTBNTTK-GCJKJVERSA-N 444.580 1.686 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740800710 HSBICTSIGIAZOO-PBHICJAKSA-N 437.976 1.158 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740857459 NLIKISYQRAHQGD-AZUAARDMSA-N 445.612 1.761 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1740863609 BOUJSBPHZWJLCW-ULQDDVLXSA-N 425.555 1.335 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1740900151 VEGDRHIUNPHCBI-GNZRSQJKSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740957555 RTSLZSFCCDQHSE-INIZCTEOSA-N 426.525 1.158 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740961460 DDHDZEOXEYRMOI-HNNXBMFYSA-N 446.577 1.710 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740990887 IWCKHIFZSZUHIN-LSDHHAIUSA-N 425.555 1.081 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1741150445 ALRZAKIZSOVZBE-QZTJIDSGSA-N 435.532 1.694 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccco3)CC2)n1Cc1ccc(C#N)o1 1741673859 YGITYVBWQJLXIC-UHFFFAOYSA-N 437.460 1.485 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1748466832 VQNNXIZOHXBVNO-OAQYLSRUSA-N 447.561 1.883 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1748830622 ZLEKARQOABEFOH-XMMPIXPASA-N 435.528 1.801 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCOC)cc2)CC1 1748991114 QQOOQSPGNCLIAB-FQEVSTJZSA-N 438.532 1.058 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749115789 VYOLXUDBYZXDMM-ZACQAIPSSA-N 445.524 1.667 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1749554168 PPDPJVGLTKHWKZ-OAHLLOKOSA-N 437.591 1.913 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(C)C 1749670588 VBWXIRJFKOPNNL-INIZCTEOSA-N 436.557 1.981 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1749704693 AAGSMMDAXHYORO-SJLPKXTDSA-N 449.506 1.872 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)N(C)C)C1 1749711972 DZKOAUATKSIKSG-CEXWTWQISA-N 439.626 1.938 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1C 1749873361 FSVCOLCJPKFRSG-JTSKRJEESA-N 442.589 1.842 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCO[C@@H]3C)CC2)c1C#N 1751827172 CLEUYEMWQAXEAA-ZHRRBRCNSA-N 442.568 1.356 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@H](CO)O1 1760165019 HDQWSFQVDBXWSE-JKSUJKDBSA-N 432.550 1.156 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1760288911 CKOORROOOLOAPS-IIBYNOLFSA-N 427.530 1.619 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)nc2)CC1 1760402945 ZSAPEKCGBQPPNP-SFHVURJKSA-N 444.561 1.984 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1760449931 ZHKPDTJQQITAJV-UHFFFAOYSA-N 437.504 1.855 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1760504933 GMQMWBFBNQMCDS-QFBILLFUSA-N 434.562 1.921 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1760521745 BYBBUJUMMDFEGR-DLBZAZTESA-N 447.536 1.615 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1763950358 XBNWXQBEPPLPQN-QGZVFWFLSA-N 437.548 1.378 30 10 IDEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1766923244 GQULAOVQBNFVCL-UHFFFAOYSA-N 425.537 1.595 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC 1767748550 GEDBMHQRWJKNMQ-RBUKOAKNSA-N 426.521 1.831 30 10 IDEE CN(C)c1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1768494728 SYMJOMMKIOXVNO-DYESRHJHSA-N 446.552 1.931 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1771295227 IXMVVCHCCFWQNZ-OEMYIYORSA-N 436.532 1.412 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1772790956 WDESIEOQQFWEGH-INIZCTEOSA-N 428.466 1.983 30 10 IDEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)CN1Cc2ccccc2C1=O 1851187387 NNPBNQVEDHUPDF-UHFFFAOYSA-N 445.932 1.989 30 10 IDEE N#Cc1ccc(NC(=O)CCCN2CCS(=O)(=O)CC2)c(I)c1 1851769155 YUNHVUQXHSZEQW-UHFFFAOYSA-N 447.298 1.612 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OCC)cc2)cc1 1858961854 SSOSTRGDZWDTBE-UHFFFAOYSA-N 430.482 1.992 30 10 IDEE CC(=O)NCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863188039 PBZXESXLGPHZLX-UHFFFAOYSA-N 431.452 1.845 30 10 IDEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869927896 HGAHGNDEYIDLKZ-AZUAARDMSA-N 444.557 1.874 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1879110351 XFGZGOJRKOENDW-SFHVURJKSA-N 448.369 1.920 30 10 IDEE CCC(=O)N1CC[C@@H](C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)C1 1890363375 GVGATEVSBKDPCI-OAQYLSRUSA-N 432.609 1.282 30 10 IDEE C=CCNC(=O)c1nc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cs1 1891865125 BSVBRFDVGPFEHH-UHFFFAOYSA-N 449.558 1.285 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900453336 DPOKHEZJSJCZCU-LLVKDONJSA-N 427.332 1.058 30 10 IDEE C[C@H](C#CC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 1902017131 NYYAYPNIJGWVNN-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE CC[C@@H](C#N)S(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1962358721 PZBPTAHYEQJJKC-AWEZNQCLSA-N 434.559 1.970 30 10 IDEE CN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1C#N 2010547473 XMEOCVGXLPUXRD-XXBNENTESA-N 427.549 1.822 30 10 IDEE CC(C)(C#CC(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 2023915384 YXINJNOIWKHEAO-OAHLLOKOSA-N 437.537 1.876 30 10 IDEE CN(Cc1ccc(C#CCN)s1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2100768021 BFMJZRUHATWHOW-UHFFFAOYSA-N 431.539 1.506 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124533069 NYEPKFKNJKDYDQ-GOSISDBHSA-N 448.369 1.920 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243417158 MCDXPRSOVIBFHX-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2255814722 CODIDQAJJLFSQE-QGZVFWFLSA-N 430.236 1.002 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC1 2255824740 NNNBMYPLGGHMMQ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255838382 FMEPLBMTSRPIKW-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE C=C(CN(C)C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256616905 FVFQKQSQPRMOIF-HNNXBMFYSA-N 437.346 1.710 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267012617 XFVNOBNIOLJTFH-HNNXBMFYSA-N 448.325 1.775 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112741 KYERACAIXNXLHM-OKILXGFUSA-N 449.361 1.584 30 10 IDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267260555 PBDSOGGFPDJGDD-ZIAGYGMSSA-N 444.341 1.713 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2267275345 MWKMJDSXVIHYAD-KBPBESRZSA-N 447.345 1.196 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2267281774 XHKCFBOAANVPQP-UHFFFAOYSA-N 447.341 1.652 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)nc2)OC1(C)C 2267485663 GSKFDADLYFLJRH-IBGZPJMESA-N 438.337 1.407 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267596017 HQRDQYGCXZJZGX-CHWSQXEVSA-N 447.345 1.052 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2337197049 RQWDNDRHLQIKNH-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2367830036 FSVHKOAPLGPNCR-DENIHFKCSA-N 434.558 1.709 30 10 IDEE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40814973 KQHDPGLXBPKRIZ-OQKWZONESA-N 445.545 1.499 30 10 IDEE CC(C)Cc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443851 HUWISPBPNKTCEC-ROUUACIJSA-N 448.527 1.894 30 10 IDEE C=C(C(=O)OC)[C@H]1[C@@H](O)[C@H]2C(CO)=CC(=O)C2=C(C)C[C@H]1OC(=O)Cc1ccc(O)cc1 85942954 DDNQXWHGQQEAOE-TWHAJKEOSA-N 442.464 1.391 30 10 IDEE biogenic C=C(C)CN(CC)C(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1 96405040 BFIGZVOKPZJLPM-YFHOEESVSA-N 436.530 1.689 30 10 IDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(C(N)=O)CC3)C2=O)cc1 96567194 ZNBFNHIQCJJPOV-QFIPXVFZSA-N 428.489 1.132 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)NCCc3ccccc3)o2)c1=O 101351145 MSRVATDQAOGUEX-UHFFFAOYSA-N 441.513 1.456 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1 209899819 OZIQAUMNUUFADW-GFMRDNFCSA-N 439.497 1.848 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)CC1 438015635 GJTLZQDGQINYPH-UHFFFAOYSA-N 428.562 2.316 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1cc(C)cc(C)c1 441184839 QLTOQGQHLBCUQX-QCFAMHMHSA-N 427.501 1.975 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)CC1 476450300 UCDZUIYYIALSIX-UHFFFAOYSA-N 437.928 1.307 30 10 IDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)c1ccc(Br)cc1 505201297 QDUUWXDVJXEMNH-AWEZNQCLSA-N 448.302 1.985 30 10 IDEE CS(=O)(=O)c1ccc(OCCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 520101768 OSILOXFDZMNKFV-UHFFFAOYSA-N 428.514 1.865 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)CC2)o1 526995164 XMADYQQHLCZOQU-INIZCTEOSA-N 442.564 1.663 30 10 IDEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 531149288 RDJIVWFCUWZXML-UHFFFAOYSA-N 427.482 1.405 30 10 IDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cccc(O)c1 545386798 BNJYCIPCORDJOL-UNMCSNQZSA-N 440.475 1.744 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)c1 579046842 DHIKADAHMKBBSN-IBGZPJMESA-N 444.557 1.478 30 10 IDEE C[C@@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)o1 610487922 WRQIFECBBUGAIH-COXVUDFISA-N 439.537 1.587 30 10 IDEE O=C1NCCN(CC#CCN2CCNC(=O)[C@H]2c2ccccc2F)[C@@H]1c1ccccc1F 671243192 SZOJJWBMZHPEJF-FGZHOGPDSA-N 438.478 1.614 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)cc(Cl)c2)c1=O 681592195 JYSAYTASVLSRTQ-UHFFFAOYSA-N 447.919 1.663 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCc3cccc(C#N)c3)ncnc1-2 729589916 PCIWXBLMTQJZOD-UHFFFAOYSA-N 429.282 1.282 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccc(F)cc3)c2=O)cn1 732561227 JGWCFUFMJQJOBF-UHFFFAOYSA-N 439.516 1.530 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(CCC)c2)c1=O 735069222 OZHXIXFQEYYDOB-UHFFFAOYSA-N 427.574 1.878 30 10 IDEE CCC[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCc2sccc2C1 735856344 FZEYBWCJOXRDGG-CVTQAYBASA-N 430.530 1.834 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1CCN(c2ccccc2)C1 741339993 CLJHORDQSGLKNH-YWBAYFEHSA-N 426.473 1.089 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCCO)S(=O)(=O)c3cccs3)cc2C1=O 745573660 LPJFYFDUPPTFIP-UHFFFAOYSA-N 434.495 1.744 30 10 IDEE C#CCN(CC#C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 752148979 SBVTWGUOQRIGOU-UHFFFAOYSA-N 426.542 1.776 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)C1 758774218 ULIGVSZIPQIMHJ-MWDXBVQZSA-N 434.493 1.873 30 10 IDEE COc1ccccc1[C@H](O)CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 762327906 JMEBDDKFFCLFGE-QZTJIDSGSA-N 445.541 1.998 30 10 IDEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 762510518 LYFMIPPNZZIBNP-GOSISDBHSA-N 432.546 1.727 30 10 IDEE COc1ccc(CNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 767629635 WRYBQIUTKGAEGU-CQSZACIVSA-N 431.470 1.093 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 767752984 YDRLLCUZSTTWJT-KRWDZBQOSA-N 425.507 1.738 30 10 IDEE CN(C(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)C(C)(C)C#N 768666418 RPBSRXMDPALBRM-UHFFFAOYSA-N 430.305 1.830 30 10 IDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774195384 HXFHTQWPLJHOAT-KRWDZBQOSA-N 441.575 1.047 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2c(F)cccc2CC)c1=O 794644593 GADJFNSWVAYATK-UHFFFAOYSA-N 441.528 1.290 30 10 IDEE COc1ccc([C@H](CNC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)N2CCCCC2)cc1 798744905 NNPAOZVAXGMFGI-LPHOPBHVSA-N 440.504 1.606 30 10 IDEE C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC(=O)N1C 800528703 QQFCVPGWUTXFEV-JOJWKMGHSA-N 435.550 1.974 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H]2CCCO2)CC1 802683344 URKWSHBPKFDRDE-GOSISDBHSA-N 447.543 1.609 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 804190255 SNQVGDJNAAZNPY-JXFKEZNVSA-N 427.567 1.662 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 809909564 FJYVGGPGAPKEKP-LSDHHAIUSA-N 441.554 1.396 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 809920751 BYWWRCGPSXXCKH-CQSZACIVSA-N 429.543 1.253 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C[C@@H]1CCOC1 811726667 DVXVKOPWLFDBJI-ZDUSSCGKSA-N 430.411 1.863 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 811829397 PKBCXYJLXMTTIV-UHFFFAOYSA-N 430.526 1.840 30 10 IDEE C#C[C@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 812526383 ITQUFSCTVBHQOF-SFHVURJKSA-N 428.482 1.879 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(C)c2)c1=O 838648334 HZQJHXWCHWIDCA-UHFFFAOYSA-N 442.504 1.478 30 10 IDEE C[C@H]1CN(C(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)C[C@H](C)O1 918022346 ABPQTJHMENNVOW-UWVGGRQHSA-N 433.408 1.949 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 1136206202 BDUYNTSBBSBXQQ-IIDPFDRSSA-N 435.546 1.232 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C)c1cc[nH]n1 1137840094 NHIKDQRPGDSOAA-LJQANCHMSA-N 444.488 1.968 30 10 IDEE COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Oc1ccc(F)cc1 1153158312 VRNZPXGVNQDTMK-QGZVFWFLSA-N 438.408 1.612 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1157533290 ZIKJBVNZQFHICR-HXUWFJFHSA-N 427.482 1.639 30 10 IDEE COc1ccc(N(CCC(=O)N[C@@H](C#N)CO)S(=O)(=O)c2cccc(Cl)c2)cc1 1157963838 RHKRHCLXARMGBF-HNNXBMFYSA-N 437.905 1.935 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286395688 SXFIYPZLHHUSEN-ROUUACIJSA-N 431.587 1.786 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1286399966 SFSDKWPHTVUSNS-MRXNPFEDSA-N 433.509 1.521 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C(C)(C)C)CC1 1286484196 FVAMVFCDDQNJRY-UHFFFAOYSA-N 426.569 1.057 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1286522431 KBFMTTAUEPIFRW-NSISKUIASA-N 437.635 1.610 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286601281 JVQHNZYGRNBRTA-LJQANCHMSA-N 432.569 1.408 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(NC(C)=O)CC1 1286791230 VHVMIZAQPMQSTI-UHFFFAOYSA-N 435.532 1.688 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286814879 HJFCCTLWBZEXSW-MRXNPFEDSA-N 447.561 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286821650 RIKHFUAMSHWPEM-MJGOQNOKSA-N 431.562 1.870 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C2CC2)CCO1 1286941085 HSDFNVJMPFQOON-HRAATJIYSA-N 437.548 1.641 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1295077294 YSEGRXRTMFHXIB-AWEZNQCLSA-N 425.493 1.185 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1296166326 GDDOEKGTJCFGSD-HIFRSBDPSA-N 449.508 1.627 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1296971559 BGSMGPQNPGQRDO-FQEVSTJZSA-N 436.520 1.996 30 10 IDEE CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1297709076 FATNTUCQWBNBFE-HNNXBMFYSA-N 444.565 1.042 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NCc1ccccc1 1300270799 FHYZFWXYAPJTHZ-HZPDHXFCSA-N 432.550 1.053 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1300506205 PBHMRSPFOLFLSN-MRXNPFEDSA-N 445.449 1.882 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1300848320 DDTVMQMZLHQBSI-KBPBESRZSA-N 446.371 1.194 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)CC1 1300980605 KPPAFJARRFJKIM-UHFFFAOYSA-N 437.508 1.182 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1)C1CC1 1301326542 BZLIQRRXVBYCOJ-GDBMZVCRSA-N 427.596 1.519 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301505752 AQOHZRXGHRLDBO-IBGZPJMESA-N 442.539 1.469 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN1C1CCOCC1 1304061065 UXKRDZJAZSIDKQ-HKUYNNGSSA-N 448.589 1.509 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1304902622 GDWYGJCPTAJDHM-RDJZCZTQSA-N 442.545 1.308 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1305271778 VXSQRBGYNANXHH-LZICOFPGSA-N 427.509 1.177 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1Cc1ccc(C#N)o1 1316200547 MQZHCFPTEUWBQU-INIZCTEOSA-N 442.520 1.964 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1316255494 POIRJKVMAQQYEM-KRWDZBQOSA-N 426.521 1.927 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358940093 NSLKPAWOCKUIJN-QFBILLFUSA-N 445.486 1.653 30 10 IDEE C#CCN(c1nnc(C)n1CCCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1358956360 DWKNHHJGFAFUNU-IBGZPJMESA-N 432.546 1.829 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1358956540 HGIXSDZIULYMSL-WFXMFSGNSA-N 426.514 1.087 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1359030866 JABBMHFUOKXSFG-YADHBBJMSA-N 445.589 1.655 30 10 IDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359049719 VIIAYMKRTIKBLY-INIZCTEOSA-N 427.578 1.979 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359055790 PLMGKNKCFPBUPZ-ZIAGYGMSSA-N 430.500 1.668 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359089957 SCBMWXMDVMDIDT-KURKYZTESA-N 430.553 1.458 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)CC1 1359173849 PTGATXYFRUHEFG-HZPDHXFCSA-N 426.587 1.011 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN2CCN(C(C)=O)CC2)C1 1359324580 NKFWEIBLVAVUBX-FQEVSTJZSA-N 444.605 1.876 30 10 IDEE CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359921366 GIAUGCLKKDULHG-NRFANRHFSA-N 447.561 1.761 30 10 IDEE N#Cc1c[nH]c2cc(C(=O)N(CCCN3CCOCC3)[C@@H]3CCS(=O)(=O)C3)ccc12 1443496292 YUJKXZZTSVGHMR-GOSISDBHSA-N 430.530 1.391 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 1450322596 FAJZSTPIXASBAU-FQEVSTJZSA-N 433.574 1.973 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)CCOC1 1453685449 HJNIQJDBCFTWDZ-QHCPKHFHSA-N 442.516 1.190 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1456936975 UHZYQUPDBLYRMI-HRAATJIYSA-N 443.573 1.710 30 10 IDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1=O 1457530770 GDEQHHYLASVNRE-OAHLLOKOSA-N 446.504 1.775 30 10 IDEE C#C[C@@](C)(CC)NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1460131409 LXARSTBDFUIRJK-QHCPKHFHSA-N 425.533 1.960 30 10 IDEE Cc1cc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n(CCC#N)n1 1464378484 IVJPDCSSGCOLPI-CQSZACIVSA-N 425.511 1.468 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2NCCOC)CC1 1470367809 WGBTVCTXXCCULH-UHFFFAOYSA-N 437.562 1.376 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OCC 1471119371 WDLKLOQSAPKGRV-NWDGAFQWSA-N 438.333 1.982 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNC(=O)C1CCC1 1499164012 FVNFEHSDSATKMA-INIZCTEOSA-N 437.552 1.524 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCN(C)C1 1503112512 FJVVWIUKSMAWSO-HSZRJFAPSA-N 439.564 1.075 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCSCCCO)CCN1C1CC1 1505324020 KGHVHJZKZHJTER-LJQANCHMSA-N 427.578 1.556 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1507534058 QNBPNSCBCIBYEY-QMHKHESXSA-N 436.516 1.845 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1507630221 UWLUXCOUDHSAIB-QGZVFWFLSA-N 425.518 1.254 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507632192 JOHJGUSJXCGCDQ-ZBFHGGJFSA-N 433.559 1.274 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC1(O)CCS(=O)(=O)CC1 1507647621 OYFSKCWLEQXEAH-UHFFFAOYSA-N 449.536 1.506 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCSC1 1507707434 WMMMNJMGMSKIJP-OAQYLSRUSA-N 432.546 1.916 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)N(C)CC)CC1 1507719186 YYTKOTTYYQTECC-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507773716 VOTPWDVZJLXGPT-FDDCHVKYSA-N 436.516 1.038 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507846511 NTIAIAYDSGQCAD-FQEVSTJZSA-N 440.548 1.684 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CC)CC1 1507884500 IUBJYOZHBFSGGB-ZWKOTPCHSA-N 438.598 1.252 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(C)c2)CC1 1508071651 LAMDYBONJNHAGJ-UHFFFAOYSA-N 425.537 1.354 30 10 IDEE CCOCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1Cc1ccc(C#N)o1 1516579752 QADLDMYKRRUXSM-UHFFFAOYSA-N 436.472 1.996 30 10 IDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1518547863 DUUPJWNNWQGBGH-SFHVURJKSA-N 438.513 1.892 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1 1519567830 UUOBLSSFQWAWRV-GOSISDBHSA-N 432.480 1.758 30 10 IDEE N#CC1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1521115651 YUMMQKICHGYKSW-KRWDZBQOSA-N 432.479 1.831 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539203985 XDBPYSWSNYALJV-HZPDHXFCSA-N 433.582 1.813 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539230133 KNOVKBKFYXIHPV-AZUAARDMSA-N 430.574 1.973 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN2CCc3sccc3C2)CC1 1539483368 YKDNPKFHFQEJFL-UHFFFAOYSA-N 426.590 1.926 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1539489397 MRTHZDIFVCERRR-RTBURBONSA-N 446.621 1.428 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539810264 QJHPKFHLFRHGBV-HXUWFJFHSA-N 429.912 1.831 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1540862147 SHZNTLVOIVDRFL-UHFFFAOYSA-N 427.509 1.102 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCN2CCOCC2)cc1 1540877747 DTMMERZFRVNIIT-HXUWFJFHSA-N 440.548 1.611 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1Cc1ccc(C#N)o1 1545925321 IWIXTQIMNVZJAY-HNNXBMFYSA-N 440.508 1.265 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 1546733394 YGQASQKREQEENE-QGTPRVQTSA-N 437.504 1.809 30 10 IDEE Cn1cnc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 1554351240 LXVKCALNTMYIIK-LAPQFRIASA-N 445.503 1.668 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1555715472 AQCZPFCDQCPFLO-GOSISDBHSA-N 426.477 1.511 30 10 IDEE C#CCOc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 1569241634 XCHRULLGVFGJMM-UHFFFAOYSA-N 429.498 1.113 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1587651109 IXFFHZSJMYFRLB-INIZCTEOSA-N 434.591 1.100 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1589116198 DORQKSULZKAFPM-UHFFFAOYSA-N 429.546 1.849 30 10 IDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 1594812439 FWTYPCNDRKFVAG-UHFFFAOYSA-N 440.552 1.323 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1594961777 FTLOYHWUMWVTDN-INIZCTEOSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595594662 NYMXWPMSUWUOAO-QGZVFWFLSA-N 447.561 1.345 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1598356091 WNUDEVAJGQBEQB-LJQANCHMSA-N 428.533 1.758 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1610430581 LNUQJDSNGFXIQY-NNMXDRDESA-N 433.553 1.989 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)COCc1ccccc1 1611629304 DDOVQNCIEJBZEU-HKUYNNGSSA-N 426.521 1.998 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1613710043 LBSFBWOIXHQDPW-GNDBUYPCSA-N 439.520 1.815 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCSC1 1616484826 BLCICVMDKRXKFR-IERDGZPVSA-N 445.545 1.853 30 10 IDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1618435664 BIFZJXQCZHKBOG-MAUKXSAKSA-N 441.433 1.989 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1620356007 QLGGMRYHOXXJDZ-BRWVUGGUSA-N 440.495 1.604 30 10 IDEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O 1624335778 WOUJTDANHBRNMO-VAMGGRTRSA-N 446.467 1.916 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccnc21 1627265932 WCWHHZQGJPHFJM-KNTRCKAVSA-N 427.461 1.635 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC(=O)NCc3cccnc3)C2)C1 1627675146 BAOVQVXUQZCTEQ-FRIYVGAWSA-N 441.532 1.991 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(C2CCOCC2)CC1 1629063186 MYDSMGULDZHSPZ-UHFFFAOYSA-N 448.589 1.513 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1629139120 GOADVIKVMMAFNA-INIZCTEOSA-N 434.468 1.802 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](O)CC2(CCOCC2)C1 1632953843 LCLNPTCYGCOILC-WMZOPIPTSA-N 449.573 1.530 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1634058392 BPOOCMJZXDITGA-MRXNPFEDSA-N 446.504 1.751 30 10 IDEE N#CCCn1cc(C(=O)N[C@@H](CO)CN2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1635225485 MNEFHXGUEWOSOD-QGZVFWFLSA-N 426.477 1.949 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(CC)(CC)c2ccc(OC)c(OC)c2)CC1 1650846243 OONHKVQOVHNLFV-UHFFFAOYSA-N 437.562 1.373 30 10 IDEE CCOC(=O)c1cnn(CC(=O)N(CCOC)CC(=O)Nc2c(C)cccc2C)c1C#N 1652752303 FCZDHOCALCDJOC-UHFFFAOYSA-N 441.488 1.662 30 10 IDEE COC(=O)c1cnc([C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)s1 1655187490 XFEHLPLJGMLRJH-DLBZAZTESA-N 433.578 1.801 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC)c1 1664011185 LFGQEXHNXPBNLI-HXUWFJFHSA-N 427.526 1.854 30 10 IDEE C=CCO[C@H]1CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1675972795 ZRJUEJTVBPPWMD-HOTGVXAUSA-N 431.555 1.397 30 10 IDEE COc1c(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc(Cl)cc1C(N)=O 1677452036 DCYSHIKDEJPVEZ-NSHDSACASA-N 429.868 1.852 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1CC 1689961110 LNVXYHPGZFFISY-UHFFFAOYSA-N 431.504 1.794 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1689987975 GRWYKHKUMXORQA-INIZCTEOSA-N 445.574 1.427 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689991094 VSUDXONSURPIOT-BJLQDIEVSA-N 449.621 1.672 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1690001774 RUOPLYVZIMEBCF-QGZVFWFLSA-N 428.562 1.270 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1690019204 CVABUKMALYXWQI-GOSISDBHSA-N 443.548 1.919 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)nn(C)c2C)CC1 1690110386 KEGSHPYQCVCJLX-UHFFFAOYSA-N 433.520 1.079 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690316419 DDMNNULZQGHZBE-PMACEKPBSA-N 446.596 1.540 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690320254 OPASGVWVBHCCOM-KRWDZBQOSA-N 427.571 1.412 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690420926 UHZXXEJXYCTCTH-GJZGRUSLSA-N 426.587 1.548 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1690666021 WMCLBXMTDZXDBW-HNNXBMFYSA-N 429.477 1.264 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@H](C)C1 1690671533 YFDIVEIFCHXHNW-MRXNPFEDSA-N 442.593 1.696 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1690678282 QPYKMOZACVHORW-AUSIDOKSSA-N 441.532 1.810 30 10 IDEE CCOCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1696326984 DUJYYNBNMRHPHU-KRWDZBQOSA-N 441.536 1.460 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCS(=O)(=O)C1 1705479731 KZHANADQNGAKQC-YCRPNKLZSA-N 440.529 1.343 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCCC1 1705544742 CITPZPNPOIODMF-UHFFFAOYSA-N 431.562 1.960 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705565394 ICHGRVBRZCIPGJ-PKOBYXMFSA-N 430.530 1.900 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1705612758 ONPVTOVUKPYLRV-QGZVFWFLSA-N 430.530 1.849 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OCC)CC1 1705634834 KDOJOYGFJWSUCG-HSZRJFAPSA-N 440.548 1.527 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705899560 XMOQLAIKRXGYJK-DOTOQJQBSA-N 443.504 1.259 30 10 IDEE CC(C)C(=O)NCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1706239477 CRVDLKOHBYMMJV-OAQYLSRUSA-N 438.467 1.808 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1711009631 DCZGTOHLVGJUTH-HNNXBMFYSA-N 436.520 1.910 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1711014904 IUSXTXHNQFSXCG-SFHVURJKSA-N 425.493 1.036 30 10 IDEE CNC(=O)CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1 1711370705 KDWXXALTWCGTAV-OAHLLOKOSA-N 430.509 1.868 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCO[C@H]1C 1712453089 ALKWLIDEWDAHFZ-YCRPNKLZSA-N 429.477 1.580 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOC(C)(C)C 1712648799 OGIPEZYJHFAEIY-UHOSZYNNSA-N 432.569 1.994 30 10 IDEE CSCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1712813139 KOQUVPCYBDIEQR-HUUCEWRRSA-N 430.600 1.493 30 10 IDEE C#CCCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722323293 SMKZLZMFZHZSCX-UGKGYDQZSA-N 433.553 1.464 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722368462 RWZAUIQLWCEOJD-RBUKOAKNSA-N 446.577 1.394 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722372712 CXKYKAUIKTWVEM-QAPCUYQASA-N 438.463 1.618 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC1CC1 1722423671 LUCWFCCUFOLXOS-UHFFFAOYSA-N 425.489 1.329 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1722427315 NHACRPPZXMNRCJ-HTAPYJJXSA-N 449.552 1.588 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCn2cnnn2)CC1 1722430576 FRBCZSJXIWZELJ-FQEVSTJZSA-N 449.563 1.867 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1722493572 IUNQDSCHTVCCDM-MOPGFXCFSA-N 448.612 1.945 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@](C)(C#N)C1 1722725944 UXGSFEIMJCDOFR-HXUWFJFHSA-N 436.582 1.927 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722940337 XYRAHZZBOIIIRG-OEAGWNGGSA-N 441.536 1.252 30 10 IDEE Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726403676 RLTRNCGOWLBHOY-VXPUYCOJSA-N 443.458 1.718 30 10 IDEE CCCNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1728196261 NPEMEMWHZOUKAB-QRFRQXIXSA-N 445.568 1.095 30 10 IDEE CN(C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1729340655 GYWAVQQUZCJNNY-NRFANRHFSA-N 426.500 1.537 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1730996260 FZTTXUMTIHZHNQ-PXNSSMCTSA-N 447.586 1.698 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740619988 BIFPZDLGOCKLCE-MSOLQXFVSA-N 442.541 1.926 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740626424 AVYNUDWKUZGPBK-GJZGRUSLSA-N 430.621 1.290 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740639771 FPZIRWAITSTSKX-OKYOBFRVSA-N 431.562 1.120 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC1 1740647819 WBJKPTOUKJZHBC-UHFFFAOYSA-N 425.558 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1740691214 XGGUZDHAKDOHNR-YZZKKUAISA-N 443.523 1.852 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740718304 LUZHXFVSMAEUJD-GOSISDBHSA-N 445.593 1.942 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(OCC)CCOC1 1740766171 GKERUUHXUOHUSA-FNIAAEIWSA-N 436.553 1.761 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740962463 DYUICNGPCCZOSC-WOJBJXKFSA-N 441.532 1.586 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740988151 VCAJMCKIJMLLFP-HNNXBMFYSA-N 433.534 1.221 30 10 IDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1741001684 BAYVLHNHJVXPBF-KRWDZBQOSA-N 442.593 1.683 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1741089503 OCAWASRPAMDVEF-MRXNPFEDSA-N 425.493 1.380 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1747730705 LQAQYHYWAZJUFT-HXUWFJFHSA-N 438.532 1.929 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1747901074 LDHBKDSZLCYZOE-LSDHQDQOSA-N 444.499 1.940 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)C[C@H]1O 1748333863 MFKQMXFWSQQNFJ-UYAOXDASSA-N 447.499 1.518 30 10 IDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748820601 FLOWUNGIJJTLOI-PKOBYXMFSA-N 446.573 1.734 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1748863938 LEDKMESFYKWIBG-QGZVFWFLSA-N 439.545 1.401 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1748929945 SYOFZRJXAWADDO-INIZCTEOSA-N 448.568 1.818 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)cc2OCCOC)CC1 1748990476 XOMGKFKJVOMKKZ-OAQYLSRUSA-N 439.560 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1749000838 BFYWFDXAAOLESE-CMOCDZPBSA-N 444.624 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(C)=O)nc2)CC1 1749008994 KHJKJDLHDZBVGB-UHFFFAOYSA-N 446.515 1.641 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749609029 UHETZCXPLGBPSR-QHCPKHFHSA-N 448.531 1.721 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749729784 SASSEZKZDUDFNX-SFHVURJKSA-N 444.561 1.532 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1750586330 VMTPJOPIMVNFDM-PKTZIBPZSA-N 438.532 1.995 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1751277240 RTBHOWSRZYEZOF-OAHLLOKOSA-N 436.520 1.970 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760118099 YAEDITYBNUIFBE-FRQCXROJSA-N 445.545 1.530 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC)C1 1760173157 LJLAEKPAPDFCNN-KRWDZBQOSA-N 430.578 1.607 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760190114 YFESDVGHDPIXOP-WMZOPIPTSA-N 435.594 1.867 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1760190345 ZYUGWBKFFYOYKM-FQEVSTJZSA-N 447.605 1.821 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1760193245 XCLMOOXKGYRDKA-ZIAGYGMSSA-N 429.340 1.665 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1760205436 BFMVFGIHBIIKLE-SFHVURJKSA-N 431.562 1.264 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1760220989 IFBSKIRSLFUNNQ-GOSISDBHSA-N 446.602 1.521 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1760264899 YRFKGSUXVRNUEE-QHCPKHFHSA-N 436.516 1.289 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2cnn(C)c2)CC1 1760269194 BEKZWQYFUURWSL-FQEVSTJZSA-N 439.564 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCc2c[nH]nc2C)CC1 1760271949 SJZILZGWLMRJSC-UHFFFAOYSA-N 446.559 1.894 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1760324786 MYFWJRNAUXYGJC-YLJYHZDGSA-N 446.552 1.660 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760359120 CIKFWJOOFCCLSJ-LJQANCHMSA-N 427.553 1.934 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1760494972 BIVDALSETVWEEI-SFHVURJKSA-N 436.626 1.385 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760517139 DSZUQALLYOLIRS-GJZGRUSLSA-N 433.534 1.264 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1760528535 FZRCUQKWYLVBMY-VGSWGCGISA-N 433.553 1.364 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(C(C)=O)CC2)cc1 1760529520 ILOLZTLMQCOVFI-FQEVSTJZSA-N 438.532 1.901 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCSC1(C)C 1761481619 AQBJHLCXCRWGJX-DCGLDWPTSA-N 430.575 1.862 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1764690496 BBWHGDWTKCKVPA-KRWDZBQOSA-N 430.534 1.167 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1766171515 CUZRQEAXWBSHPN-ZJYNUGOYSA-N 425.493 1.805 30 10 IDEE CN(Cc1ccsc1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1767158670 BIZJGSYGKCCZSY-UHFFFAOYSA-N 446.558 1.976 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCOC1 1767444445 VWDZZSFBWCJOAQ-SFHVURJKSA-N 435.326 1.937 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1770354933 CICXKOSGBQDJLZ-DFNIBXOVSA-N 444.561 1.353 30 10 IDEE Cc1noc(-c2ccn3c(CC(=O)N4CCN(c5ccccc5C#N)CC4)nnc3c2)n1 1851263827 HIIGMAKTTXAOKG-UHFFFAOYSA-N 428.456 1.851 30 10 IDEE Cc1nc(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)c(C#N)c(C)c1Br 1851657725 UDBGKYIVCZVZLU-ZDUSSCGKSA-N 445.321 1.825 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)Cc3nc4ccc(Br)cc4[nH]3)CC2)n1 1852391254 ZVQGHNYSJARMDI-UHFFFAOYSA-N 426.278 1.878 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(C)c3)C(C)(C)C2=O)CC1=O 1854715393 HDFXDWNYDZKQNJ-MRXNPFEDSA-N 433.530 1.168 30 10 IDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)c3ncc(Cl)cn3)C2)C1 1857470341 LUAHEFKYTLVYPP-ZDUSSCGKSA-N 426.864 1.539 30 10 IDEE CCCS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 1858448619 IZGGTAXCGFGNNF-UHFFFAOYSA-N 449.558 1.616 30 10 IDEE COc1ccc(OC)c(/C=C/C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 1860636207 PSYMTIDVDQUMPS-ZZXKWVIFSA-N 426.429 1.938 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518137 RQXWUZRNADFAGV-UHFFFAOYSA-N 440.508 1.290 30 10 IDEE C[C@H](NC(=O)C#CCNC(=O)OC(C)(C)C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1984930247 ZUEDCLVOWQDYME-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE N#Cc1cc([C@H](O)C(=O)O)c(I)cc1I 2060283885 RPAYHVIZHOSRGP-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2247802745 WDYSJKSEHKGIPE-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255604172 KDEIGFNKUUNDQY-CURUXHCOSA-N 432.330 1.885 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCO1 2255630575 MFBSFQFSORGFLM-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2255631502 ZSXGDAOWFOHZAX-IHRRRGAJSA-N 432.330 1.694 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1NC(=O)OC(C)(C)C 2255656002 UPPJYVHSIUDZMZ-KGLIPLIRSA-N 434.346 1.705 30 10 IDEE CCn1cc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255656037 VDHLOINMPZQJHS-ZIAGYGMSSA-N 434.346 1.845 30 10 IDEE CCC1(NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2255658169 ZQDHGTNJZARPJQ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267003592 QZLINFZCWPDDIA-RCDICMHDSA-N 446.357 1.849 30 10 IDEE CN(Cc1nc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2267092409 NKKDFPBHKWVBDZ-UHFFFAOYSA-N 447.305 1.446 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2267550487 ZWMFBHGEHACUGF-NRFANRHFSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881251 YPGLXCYSAGLJTI-RBSFLKMASA-N 444.341 1.761 30 10 IDEE COc1ccc(C#N)cc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286040276 QIWRHYDEMHDERM-MRXNPFEDSA-N 433.442 1.688 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2311711656 WRKMFCQOLGWAEG-LVQVYYBASA-N 440.346 1.412 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2337205583 YJZVOVCRNPRHLT-FICVDOATSA-N 446.357 1.657 30 10 IDEE C#CCn1/c(=N/C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc3c(cc21)OCCO3 13789724 QMPTWAQKSMEKEH-VXPUYCOJSA-N 435.527 1.206 30 10 IDEE CC(=O)c1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 96346260 JHFUVUQCVRWKCL-UHFFFAOYSA-N 426.494 1.692 30 10 IDEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccccn1 102757070 FLGWVXJLRRXPGB-LAFOYAEKSA-N 436.468 1.900 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 410274149 VCTPBELRFDJBOD-UXHICEINSA-N 433.578 1.493 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C[C@H]1CCCO1 440381587 MGXNSBRNCCRPCJ-MRXNPFEDSA-N 445.541 1.036 30 10 IDEE CC(C)Cc1nnc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 484986465 KJTGIDXTGLNZJZ-UHFFFAOYSA-N 448.574 1.553 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)c3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 487605032 JOYSTJVIXJJVOH-UHFFFAOYSA-N 427.482 1.996 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C#N 489058969 GQFYJRWOKHAKCG-UHFFFAOYSA-N 446.963 1.672 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1 507502332 IZKLLWJZKZXPQC-UHFFFAOYSA-N 449.510 1.025 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 515296055 WEKYSGDIFXNMOF-CQSZACIVSA-N 428.470 1.085 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 539452397 AIICYGKSXCCJQX-IRXDYDNUSA-N 442.559 1.846 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C#N 553880202 BLHNSJFKGFJCCR-LLVKDONJSA-N 436.353 1.413 30 10 IDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603650591 YEFZSQBSNYZCCB-UHFFFAOYSA-N 428.518 1.994 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1C[C@H]1CCCO1 610487379 NKTFYYGRYUOJIS-USXIJHARSA-N 439.537 1.610 30 10 IDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 611003517 PRZNDHNOVKSMLC-UHFFFAOYSA-N 447.492 1.727 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C)[C@H]1CCS(=O)(=O)C1 729330606 BPBHKDTWJWWBHY-INIZCTEOSA-N 426.560 1.288 30 10 IDEE C#CCN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@@H]1CCS(=O)(=O)C1 729334072 HVKBZTQLKSGMTF-ZIAGYGMSSA-N 439.331 1.451 30 10 IDEE C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 744545293 JJAURLOWJLLFRH-DOMZBBRYSA-N 445.335 1.836 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 746163795 ABVXLWGZAYDSHV-VHEBQXMUSA-N 434.518 1.296 30 10 IDEE CCS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C 747602912 PVLOGFIYFHHRGU-OAHLLOKOSA-N 426.564 1.392 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)cc1 748409172 SRQGYWQANJAHMP-UHFFFAOYSA-N 433.530 1.664 30 10 IDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 759629179 VKTSQRMMIWOEOJ-UHFFFAOYSA-N 437.481 1.942 30 10 IDEE COc1cc(C#N)ccc1NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 766251455 OFEVKNPSNUGOML-UHFFFAOYSA-N 445.281 1.613 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1COc2ccccc2O1 766572101 GZLVCNUXRGKPBF-HNNXBMFYSA-N 429.498 1.852 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 780631173 UEFQTIDDUMJHKJ-HNNXBMFYSA-N 427.445 1.678 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]2C1(C)C 782393782 RUIUFDFLCRQAGQ-VWVPQACVSA-N 439.509 1.640 30 10 IDEE CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801885480 PUEBKCXACXMFIO-JOCHJYFZSA-N 434.592 1.839 30 10 IDEE C#CC[C@@]1(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 805484665 QFSFIYCFFKWCJV-UZLBHIALSA-N 442.582 1.166 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 806217935 NSEIZRSXWVXVEX-SFAXUQRRSA-N 434.518 1.711 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cnn(C)n2)C1=O 807931209 AVLFJOPXBPQPNI-MRXNPFEDSA-N 433.513 1.154 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1=O 808241383 SXAWPXQIJNRTEA-MRXNPFEDSA-N 428.493 1.379 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1cccc(OCC#N)c1 1129661970 OZXFQAMTAXDXFP-UHFFFAOYSA-N 432.454 1.838 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc3ccccc3n1CC#N)CCS2(=O)=O 1134650150 BLOUHLNEBIAKKC-ZGOJQLDESA-N 429.498 1.794 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1136583469 WGBRDCNTTVTYHI-VGSWGCGISA-N 429.521 1.799 30 10 IDEE CC(=O)N1CCN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1141664875 FBEZHSZKLLMMNI-WUZYXKQASA-N 433.553 1.054 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)cc1 1154152582 ICKFEEGRTMKADM-HUUCEWRRSA-N 432.420 1.412 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1167275688 QAHVWDXMVRKKKP-LPHOPBHVSA-N 442.541 1.624 30 10 IDEE C#CC[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1167953274 XEUSXLZUZVTDHF-DZGCQCFKSA-N 445.463 1.490 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1168386437 MEAJAAUFMDOGIX-UHFFFAOYSA-N 437.500 1.978 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)C1 1171943619 BZTZEYIYRXAFJB-AQBBAIHRSA-N 446.504 1.694 30 10 IDEE C=CCn1ncc2ccc(NC(=O)c3[nH]n(-c4nc(C)cc(C)n4)c(=O)c3CCO)cc21 1179495322 ZYQWECCWFFORLJ-UHFFFAOYSA-N 433.472 1.895 30 10 IDEE C#C[C@H](NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)C1CCOCC1 1210543335 HQHWNLAULRITDE-KRWDZBQOSA-N 446.552 1.901 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286359391 UZNFHRUDYRJIMO-FQEVSTJZSA-N 445.527 1.896 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1286376835 OMOIVEFRCSIYOB-LJQANCHMSA-N 441.557 1.420 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286392300 BGZMVXMPXPAOPA-ROUUACIJSA-N 432.546 1.827 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(-n2cncn2)c1 1286461318 QVQWWASPARKBNX-UHFFFAOYSA-N 434.504 1.229 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1286479585 HMOFOIPVTLMZAJ-SLFFLAALSA-N 430.597 1.425 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCOCC2)CC1 1286651865 NPJLCYLRPZXNDG-MRXNPFEDSA-N 440.614 1.402 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1286710606 BDLVZWIVYGZCEX-CVEARBPZSA-N 435.554 1.243 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1286787063 BKURSBNJBJXOFU-AZUAARDMSA-N 441.532 1.759 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286791175 OSVRSBOVAROEBX-NRFANRHFSA-N 430.940 1.787 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286819811 WRWLKIVKBYYWEX-NRFANRHFSA-N 437.610 1.838 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1288083413 FTKQRHQVPKHIBH-QFPXGYFVSA-N 443.552 1.815 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)CCO1 1299137475 HQKGDHIDLLSODY-GOSISDBHSA-N 433.472 1.220 30 10 IDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)OC 1299178055 CFXQEBLBJRUHBL-FQEVSTJZSA-N 426.494 1.728 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1300380392 ADDLOXSZMOTQOI-GFCCVEGCSA-N 447.487 1.690 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300504458 NQJLGIDVJBQZRO-MSOLQXFVSA-N 432.546 1.909 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1300621661 OOLNRUZIEGCDJQ-SFTDATJTSA-N 436.560 1.980 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1300631241 OIAVTYONLXPZLV-LJQANCHMSA-N 443.573 1.525 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CC)C1 1300657530 MZURXYLFYGCEHD-GOSISDBHSA-N 445.589 1.776 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(N)=O)nc2)CC1 1300718752 WJKUVKJRJHZOSI-UHFFFAOYSA-N 447.499 1.355 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C)c(C)s2)CC1 1300723218 QIQUITKUWJKPIM-MRXNPFEDSA-N 441.561 1.317 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302510748 JASZKESKOOIZMG-NOBJBPSSSA-N 429.546 1.828 30 10 IDEE CC(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1302758852 YVWTVLGWQLOLNM-BSBNDGSWSA-N 441.536 1.628 30 10 IDEE Cc1ccccc1CN1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1304570375 LVRDEXKHLFDBLS-QURGRASLSA-N 435.532 1.744 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1COCCO1 1314391926 VMZYMHONMAEVPU-GOSISDBHSA-N 427.509 1.213 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)c2ccccc2c1=O 1314931240 SPIUUUHBBNGDHB-ZDUSSCGKSA-N 445.430 1.202 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)C[C@H]1O 1315110612 VNFXDEBULPLWDW-WOJBJXKFSA-N 439.516 1.994 30 10 IDEE COc1cccc(O[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1315584386 IDLXPMLHEHHFOL-APWZRJJASA-N 440.504 1.719 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1316343791 NYYVXQMPDMFPDA-QGZVFWFLSA-N 435.575 1.556 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCn2cc(Br)cn2)CCO1 1316538031 GMFNZZJZCPUVKA-CYBMUJFWSA-N 430.270 1.123 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 1318153668 KYVVFSMFMBSUMJ-OAQYLSRUSA-N 442.497 1.136 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1OC 1320114552 XHJDEZAUUPLUEP-JKSUJKDBSA-N 446.504 1.900 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1320187188 QBOKZRHBXONWBP-QGZVFWFLSA-N 439.534 1.915 30 10 IDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1348684741 GIMJOJUHVTYPHA-GOSISDBHSA-N 448.589 1.590 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358959057 AUBVEGSMEDJFEC-VGSWGCGISA-N 446.573 1.987 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1358993003 CLKNJQKIOMDSOT-NTKDMRAZSA-N 449.559 1.455 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1358999841 FDXIOKRLLJHBIW-YJBOKZPZSA-N 436.557 1.790 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1359007919 BCMPQHMYDNRYPA-OAQYLSRUSA-N 435.576 1.507 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1359009872 ATMOBDPBIUSIMI-YLJYHZDGSA-N 441.598 1.258 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCOC2)n1 1359027643 QGVCRMZSSAYWTG-JOCHJYFZSA-N 440.504 1.481 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2([S@](C)=O)CC2)CC1 1359046180 HPYCLYBRLBOTEG-HKBQPEDESA-N 440.573 1.141 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359132409 WVHQZVSIEVJEJO-SFHVURJKSA-N 445.593 1.909 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359137623 VILSLIHDJLNVLR-ULQDDVLXSA-N 428.555 1.218 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359215754 ITRBCHTWPQVMCE-SJLPKXTDSA-N 434.566 1.941 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CCOCC2)C1 1359314381 ZQDHCUAJZWILGO-SJORKVTESA-N 441.598 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359333307 UBXZCBURYFDJPP-OXJNMPFZSA-N 440.566 1.157 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1360169468 GLYRRPVGNQZTPD-FQEVSTJZSA-N 439.564 1.771 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1438102219 ZGKKVTWZZSZJBK-HXUWFJFHSA-N 449.916 1.669 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(O)(c3cccc(Br)c3)C2)cc1 1454644804 AWKWKFMRESTFHH-UHFFFAOYSA-N 449.326 1.966 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 1455115326 OEHSGUAZZWZPEB-SJORKVTESA-N 444.582 1.958 30 10 IDEE C=CC(=O)N1CCC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)(c2ccccc2)CC1 1456211132 JKUQQSZTVYPHKJ-RXVVDRJESA-N 427.526 1.130 30 10 IDEE Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2=O)n(C)n1 1457162757 BTQWVJOCSKQIDN-WMLDXEAASA-N 440.891 1.528 30 10 IDEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457200024 MMHQAFGMICEXQB-KRWDZBQOSA-N 441.513 1.064 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC3CCN(Cc4ccncc4)CC3)CC2)c1C#N 1470726266 BRSRIWZSLFRLIM-UHFFFAOYSA-N 436.564 1.739 30 10 IDEE N#Cc1cn(CCC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c(=O)nc1O 1471242887 AYUICLWDIJBCKJ-UHFFFAOYSA-N 425.445 1.128 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)C(O)[C@@H](C)C3)nnc12 1472597720 UICNTCRKHIZJRP-KBPBESRZSA-N 427.530 1.798 30 10 IDEE C#CCn1ccc(CN(CCOC)Cc2cn(C)nc2CN2C(=O)c3ccccc3C2=O)n1 1474488671 KRTHQOWSVCVPNX-UHFFFAOYSA-N 446.511 1.695 30 10 IDEE N#C[C@]12CN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1479056540 WVVMCJGZLAYBFE-RBBKRZOGSA-N 430.574 1.868 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCNC(=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492588306 OZURBTQULOQZKF-QURGRASLSA-N 449.515 1.030 30 10 IDEE COCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504551207 CNKBMGUHRHYUDQ-QGZVFWFLSA-N 442.568 1.695 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1505321903 FZQLIXPRAHXWDH-LSDHHAIUSA-N 436.925 1.690 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCOC2)c1 1507550812 PQTWDCKRTADEPN-AUSIDOKSSA-N 439.516 1.727 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507579416 WDEZXAOPUFMBJW-RTBURBONSA-N 432.569 1.158 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507753215 CZPOLJSXZRHFMV-AEFFLSMTSA-N 433.578 1.618 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1507968136 QJWOPSDCZFZSDR-KRWDZBQOSA-N 442.582 1.608 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C[C@H]1OC 1519500637 HRMAZMVLVIDCTN-SLFFLAALSA-N 425.489 1.924 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)C1 1521062141 AOEGDYUHNSJDJV-SFHVURJKSA-N 429.847 1.589 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 1525838161 LWKROLMVPFGUGV-MRXNPFEDSA-N 429.498 1.710 30 10 IDEE Cn1nccc1[C@@H]1C[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1525878385 NIJSTQWFLSPCTQ-AYBZRNKSSA-N 436.472 1.533 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccn2)c1 1539042474 GGIKRKMNMRSSMW-HXUWFJFHSA-N 443.511 1.923 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1539067766 KTXCNTHACYQGTF-QGZVFWFLSA-N 447.543 1.958 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1539383707 IQNWUOGNFXOPIL-HYFFOGBASA-N 432.569 1.575 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)N(C)C)CC1 1539461715 JEJFZFZROXOZAS-UHFFFAOYSA-N 438.576 1.998 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1541115902 GSGMGIZAFHMCMD-HUUCEWRRSA-N 443.595 1.133 30 10 IDEE Cc1ccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C 1542401090 OTDIRUGLPAJDHQ-ZHRRBRCNSA-N 428.537 1.970 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC(=O)N1C 1545061596 UKGOBXRYAKBFKG-WMLDXEAASA-N 446.458 1.820 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1552871961 YCHKDZICZXNHAA-CTNGQTDRSA-N 440.548 1.890 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555424409 LRJRQNPGSXGRLF-NRFANRHFSA-N 438.492 1.001 30 10 IDEE Cc1[nH]nc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1I 1557250314 MWPYQGCEBOUYNO-UHFFFAOYSA-N 445.242 1.111 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(Cc3ccccn3)CC2)s1 1557456444 UIPYSEZQVXEGEU-UHFFFAOYSA-N 435.571 1.746 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(Cc2cnn(C)c2)C1 1557715996 PLGJBWQATVHTIO-SFHVURJKSA-N 429.546 1.574 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)[C@@H]1CCC[C@H]1C#N 1560060307 KFBYRNGLXDVXNC-KBXCAEBGSA-N 442.944 1.936 30 10 IDEE CC(=O)N[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1cccc(Br)c1 1565629839 JWWUJSGPQXGKGF-ROAZCBAYSA-N 435.278 1.269 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588133621 JJYSTVXGLKOEIU-MSOLQXFVSA-N 439.482 1.898 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@@H](O)C1 1588200309 LERFQNPYKZOGIZ-GHTZIAJQSA-N 430.516 1.935 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2OCC[C@H]2C)CC1 1588769574 UGRLNEHWWIUBOD-YLJYHZDGSA-N 443.573 1.529 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589069071 IKCKLDKHKBWXBG-GOSISDBHSA-N 434.610 1.139 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589513767 BRBIDWHBRAHROJ-APWZRJJASA-N 448.593 1.783 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589530858 YVBZUCUSWJHGFM-NEWSRXKRSA-N 429.525 1.001 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1593746860 OVMKYAZANFYEEM-GOSISDBHSA-N 437.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1595778382 YZKGRIFOFWQXMQ-KRWDZBQOSA-N 433.534 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595799301 YOQUGXGUNLWAHH-HOTGVXAUSA-N 446.595 1.134 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1596865627 BJDSVLZCVCBISL-HUUCEWRRSA-N 444.561 1.601 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)C2)nc1 1596979244 YCYZQKGIIIUBGH-SFHVURJKSA-N 441.513 1.365 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1597566871 UVYFEZDFOVIVFA-MRXNPFEDSA-N 447.540 1.548 30 10 IDEE CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1=O 1607568778 XDOHRFQJFGTHAN-UHFFFAOYSA-N 425.493 1.218 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCOc1cccc(C(F)(F)F)n1)c1cc[nH]n1 1610944665 VNZLELVNMBRVCQ-UHFFFAOYSA-N 429.355 1.303 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1613588421 IKOWHRNCCUTSBY-OALUTQOASA-N 445.568 1.179 30 10 IDEE COC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1618917623 DPUDAOUMUGSVRG-DOTOQJQBSA-N 426.525 1.931 30 10 IDEE COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1620079514 XSXRUPABKMNVMM-IBGZPJMESA-N 441.536 1.428 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)CC1 1622493974 QMFROGSMVMCKBC-UHFFFAOYSA-N 432.464 1.837 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1 1624729205 VOOGZCHEBXMYNP-LJQANCHMSA-N 440.548 1.323 30 10 IDEE CN(C)C(=O)COc1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1624992022 SPFGYGJJDPLLAQ-UHFFFAOYSA-N 433.461 1.520 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)CC2)c1C#N 1625301056 XKEBIBFWYIRLHM-UHFFFAOYSA-N 426.468 1.799 30 10 IDEE Cn1cc(Br)c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1=O 1626804775 GSGUNPWPDDMCQP-UHFFFAOYSA-N 439.291 1.592 30 10 IDEE CCOC(=O)c1cnn(C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c1 1627933519 PGVYRTLQAFVLLC-UHFFFAOYSA-N 448.476 1.973 30 10 IDEE Cn1cc(CN2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)cn1 1628143565 SBBXFRKWDZSEAD-UHFFFAOYSA-N 443.349 1.835 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCCS(N)(=O)=O)cc1 1630686777 AGZLPNCWTJIZBG-SILNSSARSA-N 430.552 1.287 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cccc(CN2CCCC2=O)c1)c1cc[nH]n1 1632611214 SPBJBGYEFZQRHK-UHFFFAOYSA-N 427.461 1.132 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)ccc1OC 1633486566 PYWSGPLXQWKDHL-ZBFHGGJFSA-N 430.436 1.317 30 10 IDEE N#Cc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C(F)(F)F)c1 1644215080 UCYZKEQEMZUDBY-INIZCTEOSA-N 425.388 1.851 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)Cc1ccoc1 1644534392 DVVHNYFSPAGOOU-WMZOPIPTSA-N 433.530 1.844 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1646096145 RJNIVFOPQPMWNL-DOTOQJQBSA-N 443.529 1.732 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1 1668388881 AEFJNZZFOJSDLP-UHFFFAOYSA-N 442.563 1.680 30 10 IDEE C#CCN(C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCN(C)CC1 1674422602 KYMKLJWEADSITA-UHFFFAOYSA-N 448.589 1.088 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)C2)c(=O)nc1O 1680813163 NCTDJRWHNXVNAD-UHFFFAOYSA-N 440.426 1.192 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccc(C(F)(F)F)cc1 1683767998 PKKPZDXTOKWTSX-CRAIPNDOSA-N 437.466 1.992 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)CC1 1684703344 DLJARTWRPCJUFY-NRFANRHFSA-N 444.532 1.904 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)C1 1685180815 QUFOGYAMTXKISP-MSOLQXFVSA-N 432.565 1.448 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnnn1C 1689860789 HKSJJCCXURGNEQ-LJQANCHMSA-N 433.564 1.278 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689993240 YUACZXZYBUTVFW-LJQANCHMSA-N 446.548 1.940 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C(N)=O)nc2)CC1 1690125998 RLSKTMSDRZFRSB-UHFFFAOYSA-N 429.528 1.475 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1690671094 OWZWFXQGLGEAIA-GBESFXJTSA-N 446.596 1.996 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1691001889 QTFCJMXZZWRCIH-ZBFHGGJFSA-N 440.474 1.928 30 10 IDEE CC(C)(O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691356800 CEOMJPCPEAJEQY-SFHVURJKSA-N 425.537 1.926 30 10 IDEE Cc1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)no1 1692986195 KPLHVRYIBHUWRF-UHFFFAOYSA-N 444.517 1.811 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)n1 1693425435 BBGRGIQWYBKYMM-DENIHFKCSA-N 444.559 1.819 30 10 IDEE CC[C@H](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1693970072 WYHMYGWAXNXOQM-VHSSKADRSA-N 439.520 1.825 30 10 IDEE CCSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1696564912 XTGWJLAZQDBONY-QGZVFWFLSA-N 440.577 1.966 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705569970 IZABEVKMRIBJTE-WOJBJXKFSA-N 444.532 1.980 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C1CC1 1705602796 GQVDYBGNRHOSKB-UHFFFAOYSA-N 428.924 1.847 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1705695170 ADNNVZCJBZSXLK-YVSFHVDLSA-N 427.571 1.485 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705894496 ARZMJPAOPDADMD-HNNXBMFYSA-N 441.536 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1 1705934845 YSOUWWHKKFKGOA-AWEZNQCLSA-N 425.555 1.224 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705940025 SQQCBWCQAGEVCT-LSDHHAIUSA-N 442.611 1.009 30 10 IDEE CCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1=O 1710256260 KNRCWTZVKFFUSS-JOCHJYFZSA-N 442.520 1.890 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@@H]2CCOC2)C1 1712877266 GSJFUGZEWXIDBZ-QRWLVFNGSA-N 448.524 1.907 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1722275409 DMQQDVYAXMJYGA-YESZJQIVSA-N 434.566 1.776 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722339183 XMCALAXYYJSPBB-UHFFFAOYSA-N 429.484 1.799 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722361612 IDENVBDOKLOXGN-FUHWJXTLSA-N 430.530 1.617 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722410098 QNFJXODMZUGRHD-AEFFLSMTSA-N 431.566 1.342 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(F)F)CC1 1722446987 FYRGKZBSIANKFS-OAHLLOKOSA-N 443.520 1.191 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722507638 YVALGXADJAHOGZ-NSHGMRRFSA-N 448.593 1.744 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1722666127 KRGNULHDPHOTNU-UHFFFAOYSA-N 425.489 1.754 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1722732399 YDCCTSWUAVEUJR-QGZVFWFLSA-N 447.561 1.386 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1722866936 DKLXNZKQGGWFJS-OAHLLOKOSA-N 428.628 1.841 30 10 IDEE Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1724366685 CTCBCWXZUHPUFT-KRWDZBQOSA-N 438.463 1.780 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1727926374 JKZPUEYGRLZYFO-PBHICJAKSA-N 431.566 1.915 30 10 IDEE CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728573946 AAAQJGXIJYTLDD-KRWDZBQOSA-N 438.536 1.436 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1729110855 UGCXYPNZLVEBSO-AEFFLSMTSA-N 437.504 1.668 30 10 IDEE COc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1730172980 ZLZWOGQMQUGCDH-DYESRHJHSA-N 428.493 1.499 30 10 IDEE COc1ccccc1N1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1730312339 MYSODMAUJSEDQE-QZQOTICOSA-N 437.504 1.448 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740620966 ITEVCSLXKVOFSA-UKRRQHHQSA-N 445.467 1.867 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1740689366 CGDSQTDEHGVCPW-GOSISDBHSA-N 437.596 1.832 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740717531 VBVHQEWRBJNAPK-OAHLLOKOSA-N 430.582 1.765 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1740810474 CPAFWTIUSHCPDW-HNNXBMFYSA-N 445.973 1.370 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1740869939 FCUSMRCIZVJRAK-UHFFFAOYSA-N 437.591 1.730 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740880317 DWNSTBKPJUVNMT-UHFFFAOYSA-N 444.580 1.946 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740884797 NGFAWKCHPWFEQE-SFHVURJKSA-N 427.509 1.155 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740951061 BSQDEZUWGOZYGL-CVEARBPZSA-N 425.493 1.375 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS(=O)CC1 1740952474 FPUWNUPTMWFZKC-KRWDZBQOSA-N 431.562 1.906 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1741000339 OTMIBHKBIGXIJR-CQSZACIVSA-N 441.561 1.811 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1743319175 DMDSGBRABYYWBU-MRXNPFEDSA-N 449.533 1.015 30 10 IDEE CC[C@@H]1CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O 1744924071 LKHWCAFPHKLKSK-WPMYYYLESA-N 444.536 1.907 30 10 IDEE C#CCCCCn1c(N(CC#C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1748726549 GIVHYGOCXHVDCU-KNQAVFIVSA-N 448.589 1.749 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748810669 ZIBFTCBTFXFXFV-AZUAARDMSA-N 442.541 1.926 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1748812666 YVLRMCMABHCQIE-SFHVURJKSA-N 425.518 1.057 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1748843486 GATBGYSSOJHOBG-HXUWFJFHSA-N 432.528 1.832 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1 1748848624 LNBCEBOTTFQICX-UHFFFAOYSA-N 426.542 1.775 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748907118 NRUFVVICWXHNLB-UHFFFAOYSA-N 438.532 1.489 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749031743 HZFIULYHHCOQRP-UHFFFAOYSA-N 427.578 1.988 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1749285336 GAQINESREFOXEV-ROUUACIJSA-N 444.559 1.919 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749311059 BHZGVIBPYHMLBD-HXUWFJFHSA-N 436.509 1.702 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C 1749873293 FCLNNZUWSOWLQO-NMEJYPJZSA-N 442.589 1.885 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1760121469 SZLVGYHRUYVBKD-INIZCTEOSA-N 426.546 1.799 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)COC)c1 1760127410 YLYSJDRLDCYTMA-QGZVFWFLSA-N 438.532 1.853 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760190534 RRWJZDOYDJWKFF-QGZVFWFLSA-N 444.948 1.896 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1760200885 WFUDTKARLNAWCT-UHFFFAOYSA-N 437.573 1.573 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760346412 XYFKWZUUXXDEKF-TWMKSMIVSA-N 425.555 1.048 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCOCC1 1760461539 XYLXWNADOYOQFZ-INIZCTEOSA-N 433.582 1.581 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1)C1CC1 1760476714 DVBFNVNAYWEWDE-IEBWSBKVSA-N 437.610 1.692 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)Cc1cnn(C)c1 1760519985 WUIUZQLYJBMGOK-UHFFFAOYSA-N 437.504 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](COC(C)C)C1 1760559894 VCSYACIJAIJMPZ-IAGOWNOFSA-N 428.555 1.361 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1760653601 DMZCNQNCHWNBAJ-TZIWHRDSSA-N 438.532 1.975 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1761291542 LVARQJVPTYTRTC-KKSFZXQISA-N 434.541 1.352 30 10 IDEE CCC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1763875457 ACKNRVJQDRQSIO-KZNAEPCWSA-N 440.552 1.974 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1766615962 BMZAGQIXKHWCLU-NRFANRHFSA-N 445.545 1.780 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1767175041 WSIXHKLJWADONS-QZTJIDSGSA-N 435.532 1.694 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1768587250 RDANADAXZQJVIR-LJQANCHMSA-N 438.532 1.927 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCOC1 1768995954 PBWVASNYJXHEQG-IRXDYDNUSA-N 439.289 1.639 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1771261985 OSNLRUPUTRPWSE-GEQKSPFYSA-N 441.532 1.846 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1771443109 CARJHWAHKQAMBQ-OTSFIGDKSA-N 445.549 1.087 30 10 IDEE Cc1ccc(S(=O)(=O)Cc2nn3c(c2C(=O)N2CCO[C@H](C#N)C2)CCCC3)cc1 1848501879 RDJYUZVKMBJYOY-MRXNPFEDSA-N 428.514 1.866 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 1848914846 ZPCBLJPBSGIWOZ-UHFFFAOYSA-N 437.525 1.842 30 10 IDEE O=C(c1cn([C@@H]2CCCN(C(=O)C(F)(F)F)C2)nn1)N1CC(F)(F)OC(F)(F)C1 1849130210 MXTBHCKHUWORNB-MRVPVSSYSA-N 433.284 1.662 30 10 IDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)[C@@H]1CSc2nccc(=O)n2C1 1849581046 DUBYLGJXGWTWSP-JTQLQIEISA-N 432.303 1.974 30 10 IDEE C=CCN(C(=O)CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)[C@@H]1CCN(C)C1=O 1852009115 PYTOTUQXDIWSMW-LJQANCHMSA-N 437.475 1.938 30 10 IDEE N#Cc1ccnc(N2CCN(CC(=O)Nc3ccc(I)cn3)CC2)n1 1852819742 IJRBNPTZISXUNL-UHFFFAOYSA-N 449.256 1.109 30 10 IDEE CN(C)CCON=C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853403526 FKPSWZXKUJSRGA-UHFFFAOYSA-N 434.493 1.733 30 10 IDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1855492663 SMQWQVCBHNSDOL-QGZVFWFLSA-N 432.546 1.695 30 10 IDEE C=CCNC1=C(c2ccccc2OC)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863764212 BKZMPGWCKHDLEW-UHFFFAOYSA-N 441.509 1.441 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)COCC(=O)O)sc2c1 1866082454 GZJDPWDPOPLGDO-UHFFFAOYSA-N 425.488 1.699 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1CCO 1870398766 XKROFXLWEKADLI-UHFFFAOYSA-N 442.472 1.940 30 10 IDEE C=CCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N2CCN(CCO)CC2)n1 1871709120 OVCMQPAPZDFNPI-UHFFFAOYSA-N 440.596 1.904 30 10 IDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccn1 1874338783 YASZILDSGMGETJ-QCXKMSLLSA-N 429.550 1.898 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)c(OC)cc1OC 1874433986 HRGUMRNMQWCNJA-DNTJNYDQSA-N 437.478 1.087 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)COC1 2247836257 ZDIRRTOECMSBNP-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2247841365 VNGFZUVRWQADNB-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248405484 RJKNJLVSETXHFN-ZDUSSCGKSA-N 440.371 1.939 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2255753639 USOJQKYJIQNEJP-UHFFFAOYSA-N 443.378 1.887 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 2255818531 MFYWHNWXMMSZTM-CQSZACIVSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255832011 GFXLBLZCGFCGMM-BTTYYORXSA-N 432.330 1.552 30 10 IDEE Cn1nc(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2255842879 YPAUZZASHNQNEA-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2267267758 YWBHVGNFVZPPOO-UHFFFAOYSA-N 447.297 1.185 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267599702 UGDCFIFWOQPKGE-YOEHRIQHSA-N 449.357 1.282 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268671256 KNPVKCSGGAUZRA-CABCVRRESA-N 447.341 1.937 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2268990002 JCVFQGTUULVLGE-INIZCTEOSA-N 443.309 1.428 30 10 IDEE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282319057 OBPMVLVTTLQCBX-WDEREUQCSA-N 438.833 1.682 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCS[C@H](CO)C3)cc2Cl)OC1(C)C 2282831516 AFKQWXMTNQGMGI-JTQLQIEISA-N 439.817 1.799 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)[C@@H](C)C1CC1)NC(=O)OCc1ccccc1 2286046015 RZUNNUKXABGJIW-YJBOKZPZSA-N 437.518 1.798 30 10 IDEE C[C@H](C#CC(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302423791 QFDMJEYFPPFJNQ-CYBMUJFWSA-N 447.479 1.636 30 10 IDEE CCOC(=O)N1CCN(C(=O)C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)cc2)CC1 2323178061 CWURYBAXZHACPE-UHFFFAOYSA-N 445.516 1.817 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334263043 FUBDVHUIVPNABG-HKZYLEAXSA-N 448.329 1.263 30 10 IDEE C/C(=N\Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1cccs1 21083017 DLMFLKKLIIALAD-UFWORHAWSA-N 431.507 1.138 30 10 IDEE Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295009 YFLAZXUZFCFFJK-INIZCTEOSA-N 430.534 1.242 30 10 IDEE C=CCNC(=O)CN1CCN(c2c(C(=O)OCC)cnc3c(OC)cc(OC)cc23)CC1 65226855 MCVVFRAALMFMHT-UHFFFAOYSA-N 442.516 1.853 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)NCC#Cc3ccc(N4CCNC4=O)cc3)CC2=O)cc1 96351100 FPYIXPFTEIMESM-SFHVURJKSA-N 432.480 1.746 30 10 IDEE CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N\C(CO)(CO)CO)ccc12 102525072 ZAQXLLBCEQKFIY-IOXNKQMXSA-N 428.894 1.824 30 10 IDEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)cc1 102744950 QJQRNPDASKSOER-VZCCSQPZSA-N 426.473 1.796 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@@H]1CCCO1 447006732 MYDLXISYTAHYCU-KRWDZBQOSA-N 449.532 1.960 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 460565428 HZPQDZHQQVWDAK-FQEVSTJZSA-N 446.596 1.713 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 465284998 MJZMOEKDAINXJV-SFHVURJKSA-N 443.511 1.979 30 10 IDEE Cn1ccnc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c1=O 467159882 CTYFCSFSTYEYQW-UHFFFAOYSA-N 426.546 1.743 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476806247 LFOLLJQMBXZDPE-PBHICJAKSA-N 430.530 1.915 30 10 IDEE CNC(=O)c1cc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1C 480614133 KCEAYNAFRZTHEZ-GOSISDBHSA-N 435.937 1.609 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1C 484595350 DDAYBXAWCOOYIR-UHFFFAOYSA-N 429.567 1.151 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 509724976 QXXVGNHLMKJTGT-KRWDZBQOSA-N 429.502 1.498 30 10 IDEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 521696937 AWANCHKLBKRUQE-UHFFFAOYSA-N 438.513 1.648 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)CCN1Cc1ccccc1 550870351 PGXXXCJYGPJPOU-HSZRJFAPSA-N 442.523 1.784 30 10 IDEE COc1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1C#N 558483154 BMCPFHWZBDJIEL-UHFFFAOYSA-N 435.527 1.830 30 10 IDEE CCOc1cccc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 561834925 UEUFCIJZNDLQFV-NRFANRHFSA-N 434.496 1.533 30 10 IDEE N#CC1(CS(=O)(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CCC1 583840380 VNZUATHWAGVYEG-UHFFFAOYSA-N 448.570 1.955 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 583900631 NEZWPRFREASQBC-LJQANCHMSA-N 442.545 1.838 30 10 IDEE COc1cc(CNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)ccc1C#N 589329146 YDFZLIPDHBNNOI-UHFFFAOYSA-N 444.517 1.365 30 10 IDEE C[C@]1(C#N)CCCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)C1 612367956 KIQZPPVCUYIQCF-QGZVFWFLSA-N 442.335 1.955 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C(C1CC1)C1CC1 735068025 CCULSUXOJOJLAM-UHFFFAOYSA-N 439.585 1.907 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 735116172 CAOZIJGPJNGCLZ-LNVKXUELSA-N 435.484 1.799 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 745882338 WJGFDPTUZYHRMD-LJQANCHMSA-N 445.564 1.882 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 748065355 MSGYZRZWCZPPQI-UHFFFAOYSA-N 428.558 1.559 30 10 IDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 749337190 CBHBYBLEZUUQLD-CQSZACIVSA-N 425.513 1.278 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(C)OCCCO3)nnc12 754447111 DSIRMCVQXWHWPI-UHFFFAOYSA-N 429.502 1.592 30 10 IDEE C#CC[C@H](NC(=O)C[C@@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757423902 FIWNUYPAYCAGRV-VFNWGFHPSA-N 436.464 1.869 30 10 IDEE C#CCN(C(=O)c1cc(F)c(F)cc1I)[C@@H]1CCS(=O)(=O)C1 760430202 VTPXTODVEOPBFJ-SECBINFHSA-N 439.221 1.832 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N3CCOC[C@@H]3C3CC3)CC2)cc1 765529210 JSQSBPKZYQRCNG-HXUWFJFHSA-N 435.546 1.790 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1 769843383 OHZQEOBIUIFQOF-UHFFFAOYSA-N 426.454 1.016 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nc3n(c2C#N)CCS3)C1=O 771340874 ZPVYJTJKYCNWIE-HXUWFJFHSA-N 440.485 1.583 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)OCCCS(=O)(=O)NC 777064401 PAXHTAKQGFMEPU-UHFFFAOYSA-N 435.296 1.581 30 10 IDEE COc1ccc(S(=O)(=O)NCc2ccc(C#N)cn2)c(NS(=O)(=O)C(F)F)c1 780887037 KAZFSMZNBFELNE-UHFFFAOYSA-N 432.430 1.405 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)cn1 784127643 YWWBEVZNJCQMPA-WBVHZDCISA-N 449.577 1.516 30 10 IDEE C=CCNS(=O)(=O)c1cc(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)ccc1F 787692491 MDSUNXFGNOAZLT-ALJHCPEFSA-N 432.517 1.529 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n1 795373021 FKJDTSCNPYXJFX-PZJWPPBQSA-N 440.548 1.613 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)n1 1128668272 SOANPMKPEFYPKU-GOSISDBHSA-N 437.500 1.503 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1136085965 DTKRGXOEMAYJIM-IVZQSRNASA-N 445.520 1.833 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N(CCC#N)CCN1CCOCC1 1136458140 UJLYXLUHIPOXAV-IBGZPJMESA-N 431.537 1.592 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1138181308 PWGBUKZUMHFLIA-SJORKVTESA-N 444.488 1.626 30 10 IDEE C[C@H](CC(=O)NCc1c(C(F)(F)F)cnn1C)/N=C1/NS(=O)(=O)c2ccccc21 1148921522 UISBLVLHNRDFHO-SNVBAGLBSA-N 429.424 1.572 30 10 IDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C1CCCC1 1161440312 GFMDIWUMAMIMBC-WOJBJXKFSA-N 433.578 1.598 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cn(-c3cccc(OC)c3)nn2)s1 1163423634 PVDOAJXZRRRKDC-UHFFFAOYSA-N 433.515 1.983 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 1167597548 JTERBIYDNQWAFT-HLLBOEOZSA-N 449.529 1.080 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NCC#CCN2C(=O)c3ccccc3C2=O)C1 1176178586 YZSHAEBACHKTCW-QHCPKHFHSA-N 427.501 1.638 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 1184235408 KWFIHMOTMKLHMJ-OSYLJGHBSA-N 434.518 1.066 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)CC2)cc1 1251759043 HSJHJAZPFAVFBB-UHFFFAOYSA-N 428.533 1.992 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1)c1ccc(Cl)cc1F 1252479595 PMSWSAMLRSWLAI-QGZVFWFLSA-N 431.917 1.847 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286349972 RNUIQYGFTMANNL-ROUUACIJSA-N 425.537 1.983 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1286389820 RGTMLTRYPINEQA-IRXDYDNUSA-N 449.577 1.063 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286391493 IWOQNNGVNVMPJS-RTBURBONSA-N 445.589 1.476 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286711319 MUSZHCWXODLZHS-GOSISDBHSA-N 440.552 1.910 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCn2nc(C)nc2C1 1286783937 QLWFTPTVQCJIHB-UHFFFAOYSA-N 442.911 1.829 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)C1 1286809641 KGVUCZSBLIRBHK-CVEARBPZSA-N 436.538 1.286 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286818879 RBRJFHMZFQMVAP-SFHVURJKSA-N 443.533 1.252 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C1CC1 1286819688 SHLMNSGROBXQEW-UHFFFAOYSA-N 442.545 1.874 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccn2)CC1 1286820005 BOKUDGQGHBVLLI-KRWDZBQOSA-N 447.565 1.237 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](SC)C1 1286824240 XOYODWNCDSIZFK-MRXNPFEDSA-N 441.623 1.723 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1286958553 ADDVXURSUWVAJN-KRWDZBQOSA-N 438.536 1.390 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1287118137 DRBCNOSRCNXULE-FQEVSTJZSA-N 440.548 1.957 30 10 IDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C 1295352863 OLPHKNSBLSUQOO-UHFFFAOYSA-N 435.955 1.666 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1298915612 DJOFGJYZFBNVCV-UHFFFAOYSA-N 437.548 1.894 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1300308357 BJNMFYPFDIAJFJ-JYJNAYRXSA-N 427.596 1.212 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CCC1 1300440236 QDYRULGYEVIVKI-GDLZYMKVSA-N 449.602 1.566 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300478816 CHAKIRKMCLBFPN-OAHLLOKOSA-N 442.607 1.027 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C)CCOCC2)CC1 1300722885 NAGJYIALNDDLAP-KRWDZBQOSA-N 428.537 1.012 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC)CC1 1300723063 PIVJTBYDJUCSHG-UHFFFAOYSA-N 447.543 1.958 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1300762362 IHYJQUWHHSMXIX-INIZCTEOSA-N 441.623 1.604 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)CC1 1301084837 ATISVVZOUDKDRK-INIZCTEOSA-N 433.534 1.797 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301249675 WPWROZWQUJGBGD-UHFFFAOYSA-N 443.552 1.347 30 10 IDEE C=CCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1301452842 WNWXERQQRRBJTR-OWCLPIDISA-N 437.566 1.858 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1301520309 WLENVXWPUPPIPG-KRWDZBQOSA-N 444.561 1.132 30 10 IDEE CCCS(=O)(=O)N1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1303876466 DZXXFDPOQAHZSW-MRXNPFEDSA-N 430.571 1.894 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1304273226 VQKAXBPVTVZUHA-MIZPHKNDSA-N 437.521 1.424 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1304397907 SXGKASYDJXPTKC-WBVHZDCISA-N 425.493 1.750 30 10 IDEE C[C@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CCO1 1304933639 COCHKZJAHQVIGC-RDJZCZTQSA-N 432.550 1.617 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)n1 1312543429 KUWFXAZKJUIYLI-UHFFFAOYSA-N 429.468 1.834 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1313491117 CMUMPRFKFKRQGL-HXUWFJFHSA-N 448.531 1.753 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)c1 1315343687 GXEDGUUNSBWOMA-JOCHJYFZSA-N 426.521 1.769 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1316337633 CVAYSKRDCBUBRG-FXAWDEMLSA-N 447.586 1.698 30 10 IDEE C#CCSCC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1353553841 SPZACEWOJPIFRR-UHFFFAOYSA-N 426.560 1.587 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1358960341 CDABRZJODJKWLS-GJZGRUSLSA-N 443.558 1.622 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCc2ccccc21 1359019121 KQENNURFZZGYGP-RPWUZVMVSA-N 440.544 1.850 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1359024648 RYZCEQZINMXWNS-OAHLLOKOSA-N 436.509 1.462 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CN(C)CC)c2)CC1 1359034761 CBSWZMSKRHAPQA-OAQYLSRUSA-N 435.576 1.484 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccn1 1359122004 SCWOBQKOJBMIJC-SFHVURJKSA-N 434.566 1.651 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](CC(N)=O)C1 1359296589 OAXNMXBQGWXOJK-HNNXBMFYSA-N 442.520 1.356 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1359305693 KNZMODXJBPQSFD-OAHLLOKOSA-N 433.538 1.223 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359311071 PHGVZYNVAGRVLQ-KRWDZBQOSA-N 438.532 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359332799 HKOCEPGICPGZDH-GJYPPUQNSA-N 448.545 1.599 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1359473008 VBNQJVPLRDRRMU-HNNXBMFYSA-N 429.525 1.712 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1360475831 DYIQZORRVUNVSU-RHSMWYFYSA-N 446.533 1.450 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCn2ccnc21 1360680723 HMYBEWOHINXNIV-IYOUNJFTSA-N 436.517 1.104 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1440640825 SNCWBESPSDYPKK-DLBZAZTESA-N 442.582 1.295 30 10 IDEE CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N3CCN(C(=O)CC#N)CC3)on2)CC1 1445691090 PSVQFNIULYJROW-UHFFFAOYSA-N 431.493 1.987 30 10 IDEE CC(C)(C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1ccc(C#N)cc1 1447035840 ZKAMGBSUKWIFAK-UHFFFAOYSA-N 441.509 1.796 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1451327173 MALNGEPWKYTBEL-GJZGRUSLSA-N 444.550 1.260 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1452484958 GWKCUQJGYXMXMP-UZLBHIALSA-N 437.525 1.834 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2Nc2ccccc2OC)CC1 1455114583 FIDDRGBRTWGRDG-UHFFFAOYSA-N 429.502 1.059 30 10 IDEE COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1455532624 RULMEBGGGSXHKG-CWTRNNRKSA-N 436.461 1.992 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OCC 1464260560 VNSANOAVLDVNOH-CYBMUJFWSA-N 433.866 1.612 30 10 IDEE CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1494828499 IIJGYJJHGTUEKW-QFIPXVFZSA-N 436.520 1.836 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1505130248 FFGZAJDYBDJAHA-HXUWFJFHSA-N 441.492 1.770 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1507616163 HHYOIQHNRDHNMH-CQSZACIVSA-N 425.555 1.553 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1507635241 UVRUXQLWFZDSHO-FQEVSTJZSA-N 443.573 1.352 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1507679192 IHHXHFIIKRGUFO-HNNXBMFYSA-N 433.534 1.442 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(O)cc2)CC1 1507719492 NWQCDNFEBWAGKN-QHCPKHFHSA-N 425.533 1.634 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1508039800 QQZAAQJCZDGLTD-INIZCTEOSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(F)(F)F)C1 1508096148 CCAWQZHOIBNRPU-YDHLFZDLSA-N 433.431 1.072 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508126814 LMMOCPLDWSDCHX-MOPGFXCFSA-N 446.577 1.469 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1508137171 ZCGHGPWJJJMQDR-KRWDZBQOSA-N 432.550 1.746 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCCN(C)C 1509215125 GHWPDLRUBZZIOQ-SFHVURJKSA-N 441.584 1.432 30 10 IDEE CCS(=O)(=O)N(C)CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1526185329 XBGKETRJHLUAOW-LVZFUZTISA-N 444.579 1.500 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1533848680 FCYCMGOMCFWGOR-GFCCVEGCSA-N 435.410 1.374 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 1534105585 AVFFTKRULSNMSZ-UXPDKRSESA-N 442.563 1.110 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1539015925 RLRNGLLCRLWGKS-HKUYNNGSSA-N 431.562 1.620 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC=C 1539260055 KQCIADRXKGINMB-UHFFFAOYSA-N 436.497 1.268 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)F)CC1 1539445927 KPSWVVOICGTHBN-MRXNPFEDSA-N 430.459 1.634 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1539752103 BXATWDAPXPNBOX-LJQANCHMSA-N 431.512 1.942 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1540054731 VMTQHJDDGDDUOL-INIZCTEOSA-N 447.561 1.466 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1540868622 LWSBCWAXUSZECW-UHFFFAOYSA-N 430.534 1.600 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1540872280 JAMZONDIEBBGIS-UHFFFAOYSA-N 444.923 1.903 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)C)C1 1540888909 ASKWIHHUFKMVPH-OAHLLOKOSA-N 437.504 1.062 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCOC1 1540900544 ZEXYFVIXMKMUKN-OAHLLOKOSA-N 434.518 1.747 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1545061690 VDGADSYUAJLUGV-IYBDPMFKSA-N 448.549 1.282 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(OC[C@@H]4CCOC4)CC3)C2=O)cc1 1546078263 JECAAZLMHIUIME-YLJYHZDGSA-N 440.500 1.807 30 10 IDEE CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547251857 GOYAFABINMEKBJ-UHFFFAOYSA-N 433.520 1.403 30 10 IDEE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1F 1552832094 MNWMOXIYZBJMPJ-MRXNPFEDSA-N 427.484 1.383 30 10 IDEE CO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1554621754 XFGSBIUVWDSKCK-RBSFLKMASA-N 441.458 1.373 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1556172042 MJBZZLYIYDQDMO-FDDCHVKYSA-N 442.516 1.932 30 10 IDEE C=CC[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1556412461 YSFSVGWHEUBCRZ-VFNWGFHPSA-N 437.496 1.822 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@H]3CC3CCCCC3)CC2)o1 1559919362 GMXAIMVLYDKJAC-LJQANCHMSA-N 428.537 1.274 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(C(=O)NO)cc1 1568181433 VJCKCGGWZXAXHE-UHFFFAOYSA-N 442.291 1.163 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C(F)(F)F 1583809876 PZZJZXKELBVFLA-HUUCEWRRSA-N 447.435 1.692 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1587640298 QPYNHWHZBQVFMS-HOTGVXAUSA-N 432.525 1.347 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1587783400 QGQMMABQJZTDRF-UHFFFAOYSA-N 449.563 1.444 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1587909309 IMXZQIKJBGNXMH-LSDHHAIUSA-N 443.533 1.811 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCC2CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1588058840 DJHHTRUZWRHMGL-GOSISDBHSA-N 429.546 1.699 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1588310324 ZIIOZHDWSPYLHY-UHFFFAOYSA-N 431.500 1.371 30 10 IDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589042542 FWMBGFUTFWMQII-UHFFFAOYSA-N 426.590 1.958 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1589069440 KZTUEOFURDZGQE-IAGOWNOFSA-N 439.607 1.153 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589513788 BSQVSPYXKAWEJC-RXVVDRJESA-N 441.580 1.901 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1593736274 YWOSOBZCZRQVHE-AZUAARDMSA-N 427.553 1.875 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1595303294 PRWMCPDFAGTXTI-INIZCTEOSA-N 434.518 1.596 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)C1 1595682098 WQAGQYHVEABPCF-XXBNENTESA-N 449.596 1.822 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(S(=O)(=O)CC)CC1 1595761011 WBODKMHRNQLLMM-OAHLLOKOSA-N 432.612 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](OC)C1 1595823321 NFYCDFVNTLRCPY-CQSZACIVSA-N 439.563 1.096 30 10 IDEE CC(C)(C)OC(=O)NCc1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607497940 NZHFHQRYWWYCBZ-UHFFFAOYSA-N 425.445 1.542 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C(C)(C)C1 1611671204 NVEMVBADICOJJI-MRXNPFEDSA-N 436.534 1.598 30 10 IDEE C[C@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)c(C#N)cc2C1 1617371130 OWLKKLYBCDYVFP-ZDUSSCGKSA-N 430.486 1.944 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1619553072 BQZYSLOCFMAFNI-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1619770545 IAUNEXZMEJHDIL-JTSKRJEESA-N 426.521 1.696 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1626424347 IGSQRYMINZOVCG-SCLBCKFNSA-N 432.443 1.983 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)C1 1632871889 NWAMGPFTTNMJJJ-DLBZAZTESA-N 433.306 1.263 30 10 IDEE N#Cc1cn(CC(=O)NCc2cc(Br)ccc2Br)c(=O)nc1O 1633201946 AYTGNJOOYOGHAK-UHFFFAOYSA-N 442.067 1.662 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 1636270565 JPCDLTUTISDNGO-BZUAXINKSA-N 430.571 1.798 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 1636270566 JPCDLTUTISDNGO-HRCADAONSA-N 430.571 1.798 30 10 IDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NCC3(C#N)CCOCC3)cnn2c1 1637331901 KBWHXJNZLCQOOW-UHFFFAOYSA-N 428.493 1.847 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 1638856651 ZCFHGWQQMKYGFE-KSSFIOAISA-N 433.486 1.565 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1)C(=O)OC 1641798961 CTRYYKXCQZYMJW-KRWDZBQOSA-N 447.513 1.806 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 1643372362 HZQDOJWRJOWICA-UHFFFAOYSA-N 426.951 1.494 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1647908742 ZRDYQEMZRPITIM-SJORKVTESA-N 437.518 1.474 30 10 IDEE COC(=O)[C@H]1CN(C[C@H](O)COc2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1655704989 WUCHBCWCXIFIHR-ZWKOTPCHSA-N 445.516 1.640 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1682196357 XCCLTIMYUNNZIF-LJQANCHMSA-N 442.541 1.866 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c(OC)c1OC 1685525071 RLQDZTOFLXHZHH-UHFFFAOYSA-N 445.501 1.708 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1689860622 DPIZKWHZSRWTGO-ROUUACIJSA-N 437.548 1.527 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1689966190 MOYCINQMRVPMMW-RDJZCZTQSA-N 447.586 1.570 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)C1CCCCC1 1690003066 BUWNRQVXNQUTCN-HSZRJFAPSA-N 427.549 1.794 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1690045667 OWOXXDQYAUQUEJ-OAQYLSRUSA-N 427.512 1.985 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCC(=O)NC 1690659205 MNVKPRQDZDZJBT-UHFFFAOYSA-N 427.509 1.022 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnnn2C)C1 1690689341 BXICMXJBFAONBJ-QGZVFWFLSA-N 443.533 1.307 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(=O)(=O)CC 1694333937 HEQZTHHYZVCHPH-LJQANCHMSA-N 439.586 1.266 30 10 IDEE CNC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697006271 HREGTSRAUSJFIS-UHFFFAOYSA-N 431.500 1.848 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1705603580 QRFIDOYGKDXDNU-KURKYZTESA-N 440.548 1.790 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705664392 NUIMGYNNVGNRLJ-GOSISDBHSA-N 446.621 1.756 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1705674894 UHXJUJDIHQEPIK-YLJYHZDGSA-N 449.602 1.907 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728700 SKOJAAVOXPUTNJ-PGRDOPGGSA-N 433.553 1.722 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1705843349 CSQNMWOWNQVTBI-LSDHHAIUSA-N 427.571 1.963 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705884327 LVJMIUZREHBJIL-CABCVRRESA-N 430.475 1.752 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1705903288 SBBCJQCKOAYBQC-KRWDZBQOSA-N 428.512 1.940 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705903442 WGLWWDJUNDJSPB-QGZVFWFLSA-N 434.541 1.879 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705925702 SRHCPTRUAVUJHU-NMQZXRHPSA-N 442.520 1.480 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)cs1 1707761089 FTUJXSGCEPPKQA-WMZOPIPTSA-N 432.550 1.806 30 10 IDEE CC/C=C\Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709380615 KIOVEPMIJLZXHY-VGOKWCNXSA-N 435.536 1.857 30 10 IDEE CCN1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1710225782 CQBRLVOAFIFNGO-WSTZPKSXSA-N 431.585 1.520 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCOC1 1710885262 YTWGVQDITAYGJZ-GOSISDBHSA-N 432.550 1.713 30 10 IDEE COCCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1712609778 MPMXTSQGPNZYOD-QGZVFWFLSA-N 439.582 1.753 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722368143 ZBNBOZDAJGTJQS-FUHWJXTLSA-N 440.566 1.055 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCN(C(C)=O)CC1 1722385607 MGSGPSNTABYTFV-UHFFFAOYSA-N 443.555 1.518 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1722419443 ARSMKJLYNWDYEB-FVRICEFQSA-N 441.507 1.938 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccccc2C)CC1 1722430580 FSIRUFINIUDMAI-GOSISDBHSA-N 446.577 1.031 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)CC1 1722438359 WPFCIFADAKXPBY-VQTJNVASSA-N 448.637 1.200 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1722446226 BLKSCIKNWBLZCK-UHFFFAOYSA-N 446.508 1.617 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCOC[C@H]2C)CC1 1722448927 IPYNYHSLVCZRSG-WIYYLYMNSA-N 436.560 1.902 30 10 IDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)CC1 1722619729 IWDYDGBKUVLXNW-UHFFFAOYSA-N 438.579 1.317 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCOCC1 1722688859 NAMOBTSFHATBKG-UHFFFAOYSA-N 447.565 1.076 30 10 IDEE CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722773477 GAGLNSKCAYWVQU-FMQUCBEESA-N 443.552 1.452 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1723202123 BYOCVPPDPVJBJW-LVCYWYKZSA-N 429.546 1.695 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C2CCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723567200 RFQZNHBHSXASGB-HTXNQAPBSA-N 429.525 1.712 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1729212751 CGVJCNNJFQGKLH-INIZCTEOSA-N 432.550 1.713 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1729745556 BGWXXEQTGJYSOM-UHFFFAOYSA-N 443.533 1.408 30 10 IDEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730482863 GTLKBDNOBPDXTD-QGZVFWFLSA-N 425.472 1.256 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730490813 XNLJNRVYQBZMSV-BZUAXINKSA-N 430.488 1.143 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCc1cnn(C)n1 1730949233 FLTTYHXKDOHMSY-DJPFJPOOSA-N 428.541 1.893 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740585835 FIVRZUGPJLHFTK-FQEVSTJZSA-N 425.581 1.918 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1740622312 BOMUVGATKFOVRV-INIZCTEOSA-N 430.578 1.689 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1740624417 GSWBKPJPPQDGHE-IBGZPJMESA-N 439.545 1.177 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1740793724 LDXPLSKVYDVMHS-UHFFFAOYSA-N 434.566 1.522 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740844132 WOWURLVLYYDZFR-HRCADAONSA-N 429.587 1.731 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CS(C)(=O)=O)CC2)C1 1740970396 KLHFVDPWGVXASG-INIZCTEOSA-N 437.566 1.120 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1744834523 MOVMJKYBRNSLOJ-JVXKUHPTSA-N 427.509 1.380 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CCO1 1748223554 QXMULRGFSFGXSQ-OALUTQOASA-N 438.488 1.025 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2OCC[C@H]2C)c1 1748690426 RGTSOLRINFVVHB-VQIMIIECSA-N 438.532 1.898 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1748814995 MPHPBILCSOXYBF-QGZVFWFLSA-N 439.545 1.365 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748821115 LWPXXUSZMBXKOU-IBGZPJMESA-N 446.577 1.193 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1748949722 AAGCCHSHBOLFBM-JOCHJYFZSA-N 427.505 1.527 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(C)CN(C)C1=O 1748951022 TYPORHCQYBMMLF-HSZRJFAPSA-N 433.516 1.900 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749118344 FRCVQIIOWDTEQB-JZXOWHBKSA-N 439.520 1.574 30 10 IDEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749277294 AGCHRSICOJUUAS-MRXNPFEDSA-N 444.923 1.373 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC=C(Br)C1 1749652664 QQXWSNGYLOBHLX-CYBMUJFWSA-N 428.331 1.793 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC(F)(F)F)CCOC1 1751005997 BRVKDCMACPAQIP-GUYCJALGSA-N 432.447 1.736 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)C1 1751274506 TXQJYPDSQZULGJ-WMZHIEFXSA-N 443.596 1.881 30 10 IDEE Cc1ccn2cc(Cn3c([C@@H]4CCS(=O)(=O)C4)nnc3N(C)C[C@H](C)C#N)nc2c1 1751440287 DBCOCYXUYPOOFN-HZPDHXFCSA-N 427.534 1.781 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1760098503 SXSUCZRHOWILLE-UONOGXRCSA-N 435.506 1.154 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1760194328 GIMJDMIYXPKSBO-AEFFLSMTSA-N 426.546 1.476 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1760206170 SLZBDOOCGONXSF-IBGZPJMESA-N 443.529 1.193 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCCN(C)C)c1 1760208227 NGLUEZNLRNOLCM-UHFFFAOYSA-N 448.571 1.966 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](N1CCOCC1)C(F)(F)F 1760239066 VKAOGAQSVGWADE-ULQDDVLXSA-N 445.486 1.725 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2ccnn2)CC1 1760287084 FSOLHJKOGDXAOE-OALUTQOASA-N 445.593 1.877 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760300088 SEARZHCRPFGZLR-GXTWGEPZSA-N 439.358 1.820 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760358204 SIXFZQSYZBBAMJ-NRSPTQNISA-N 446.596 1.364 30 10 IDEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)CC1 1760403457 SSCDYXNCUMMDIR-UHFFFAOYSA-N 429.550 1.468 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760440312 HBZITZWUXXJSPV-ROUUACIJSA-N 435.594 1.889 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760526718 RWVQDDAHXULZQS-CVEARBPZSA-N 444.561 1.435 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(CC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1765113442 RCINHQMYEPGYMH-VXPUYCOJSA-N 426.525 1.763 30 10 IDEE CCn1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)c1=O 1765340450 FQQWGYVRMRAYSU-LJQANCHMSA-N 431.500 1.967 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1766610886 QZOLDHHIZCTBPU-FDDCHVKYSA-N 440.548 1.515 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1766870459 CKIMOVSDFDCZPQ-LJQANCHMSA-N 435.532 1.648 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCO[C@H](C)C1 1767770802 DRIKLCAMPJQMDX-GOSISDBHSA-N 439.564 1.890 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCOC1 1768995953 PBWVASNYJXHEQG-IAGOWNOFSA-N 439.289 1.639 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCC(=O)NC2CC2)cc1 1771533288 GKVVPFUGKJDMCJ-UHFFFAOYSA-N 428.518 1.110 30 10 IDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CCn2cnnc2C1 1849694604 ZZMNNQQKXVOKJR-WOJBJXKFSA-N 426.517 1.892 30 10 IDEE C=CCN1C[C@H](C(=O)Nc2ncc(C(=O)OC)cc2I)CC1=O 1852700104 AENPNPRJNMTDNP-SNVBAGLBSA-N 429.214 1.446 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1C 1853848095 LVTRRBWKPRJUGT-UHFFFAOYSA-N 427.482 1.478 30 10 IDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1856165289 UZFKZDQNLAFDNC-MSOLQXFVSA-N 436.578 1.191 30 10 IDEE CN(CCC#N)[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1856430439 HFTFVJSJBBWQQT-IBGZPJMESA-N 432.546 1.838 30 10 IDEE N#Cc1ccc(COc2cn(CCN3CCOCC3)c(CN3CCOCC3)cc2=O)cc1 1870348316 SFUCJZOMWUUDQX-UHFFFAOYSA-N 438.528 1.463 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2C)c(=O)cc1CN(CCO)CCO 1870724944 PPOBBNRCIOMYQJ-UHFFFAOYSA-N 449.935 1.800 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1879734187 ZCZZJVMDADZUQZ-DOQJBMMISA-N 449.357 1.807 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3O[C@H]3CCOC3)CC2)CC1 1889404210 QMCPSRXHBIQYCZ-NRFANRHFSA-N 442.560 1.121 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 1984994161 CKXCYGAEUTZAPJ-DBWCEAHUSA-N 425.526 1.828 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255851678 UHUGYZARHSDLSA-KBPBESRZSA-N 436.314 1.991 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2259354750 GNIMKLXTNOANKO-UONOGXRCSA-N 434.346 1.752 30 10 IDEE Cn1cc(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267503057 XEMWOLIUEVERGD-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267544110 PKDKZUDNNIJPET-UONOGXRCSA-N 449.361 1.584 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267606454 XWGSBGJCGMJLQY-DZKIICNBSA-N 444.341 1.761 30 10 IDEE Cn1nc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2269068363 HJKLGZNQKOVQET-INIZCTEOSA-N 443.309 1.509 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2COC[C@H]1CC(=NO)C2 2296356571 TXFXQZPQLYMKMM-HUUCEWRRSA-N 435.502 1.332 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300333376 DQWVZFDQXYRIJI-QWHCGFSZSA-N 439.343 1.464 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334270818 TXJJBNBSRVPASN-HZSPNIEDSA-N 447.345 1.242 30 10 IDEE CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 10128081 WJERYMVECUFINB-CQSZACIVSA-N 426.385 1.901 30 10 IDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(N)nnc1SCC#N 40173331 YMXGFVFUNCYHHS-CYBMUJFWSA-N 449.562 1.850 30 10 IDEE COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)ccc1C#N 460609291 VBFKUKMTQUGUSS-KRWDZBQOSA-N 431.518 1.624 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)c1C#N 472989515 MALZCNMRTULXFC-HNNXBMFYSA-N 428.443 1.580 30 10 IDEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)C1=O 474388060 DKOAYGHBZFSMRL-DLBZAZTESA-N 433.530 1.893 30 10 IDEE O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476799013 BNNMLULCRNBQID-QFIPXVFZSA-N 431.492 1.921 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c(F)c1 481022209 JUOBJSAQCWBDFC-UHFFFAOYSA-N 445.538 1.090 30 10 IDEE CN(C)[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCSC1 481789907 XZYMERTYXSCZAV-LJQANCHMSA-N 437.591 1.011 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 490265501 AGHLASOWZAYRDB-RBUKOAKNSA-N 426.542 1.867 30 10 IDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)ccc21 503672716 SBTFBKJMUVTRMV-GOSISDBHSA-N 449.492 1.735 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 504714641 FHELSOJUKWXTND-WMZOPIPTSA-N 433.472 1.338 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 505664232 SBXFSJSZTYACDC-QGZVFWFLSA-N 448.548 1.748 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(OC)cc3)c2=O)cn1 523183191 WOVNYKDXQOQUPV-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)CC1 524516257 YWMDHBLNFUAYTC-UHFFFAOYSA-N 430.549 1.373 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(C#N)cs3)c2=O)CC1 531370800 LBIMMSUFGOJIKF-UHFFFAOYSA-N 438.578 1.982 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CN3c4cccc5cccc(c45)S3(=O)=O)CC2)n1 545462891 JVQULDMRXDLSKD-UHFFFAOYSA-N 433.493 1.964 30 10 IDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 549275273 ZTMLINRIYZYGSA-UHFFFAOYSA-N 443.508 1.314 30 10 IDEE CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 581758322 BMTDAWBHMWISJO-UHFFFAOYSA-N 434.443 1.848 30 10 IDEE O=c1cc2c(nn1CCN1CCCC[C@@H]1C/N=C1/NS(=O)(=O)c3ccccc31)CCC2 585622560 QLYZKKHKABUJRI-QGZVFWFLSA-N 441.557 1.325 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(F)c1 586860133 TXXWOLWMWDKLFL-UHFFFAOYSA-N 442.878 1.880 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](N(C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 611090357 SXBZJWMGUMYWNT-OIBXWCBGSA-N 432.613 1.882 30 10 IDEE N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)n1 611645066 ZKMIXXRGSRMSIN-INIZCTEOSA-N 430.490 1.168 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCCO3)CCN2C1=O 619863219 HRYXOKNPBTXRBL-OALUTQOASA-N 449.515 1.859 30 10 IDEE C=CCOc1ccccc1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729459561 PBYHMPMTRKBDKZ-UHFFFAOYSA-N 431.294 1.906 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140078 UOWXDCUOJOPVIG-PBHICJAKSA-N 444.561 1.082 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OCc1cccnc1 732705759 GWTCFXPGYATDMZ-IBGZPJMESA-N 435.484 1.806 30 10 IDEE COc1cc(Br)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 732707745 FQSNSALTJOSRCW-GFCCVEGCSA-N 437.294 1.604 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 733959141 UOUDNCPLUDSUHX-UHFFFAOYSA-N 425.474 1.498 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 735579195 BDYOVWSLRBBNLZ-BSBNDGSWSA-N 441.488 1.643 30 10 IDEE C[C@H](CC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742647707 RDVKKJAISQTDPL-HUUCEWRRSA-N 442.545 1.836 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCOC2)CC1 752841468 ULGXDTJRFNPRPQ-INIZCTEOSA-N 445.955 1.454 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774251102 MYRFUJLETQWQPI-ZWKOTPCHSA-N 435.546 1.110 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)s1 786909377 MTWLQTFYBYDQOL-UHFFFAOYSA-N 435.531 1.424 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)[C@H]1CCNC(=O)CC1)CCCC2 815421159 HPHSJSIRWHOGMT-HZPDHXFCSA-N 442.516 1.816 30 10 IDEE O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 919710107 GIPVSUNBGHARDK-AWEZNQCLSA-N 447.542 1.592 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@H]2CCCS(=O)(=O)C2)n1 1143258899 ALKKJYNLIFSPOM-LLVKDONJSA-N 427.577 1.954 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)C1 1153859263 NGLTVBYNMNFNGR-SFYKDHMMSA-N 428.533 1.889 30 10 IDEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286314585 QUNKPAMEGISNGO-SFHVURJKSA-N 430.553 1.103 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1286377068 RHUJTEXONAJZRP-BHIYHBOVSA-N 447.536 1.938 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286398518 YDPMEJWFODICLX-FUHWJXTLSA-N 443.529 1.390 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCN1CCc2sccc2C1 1286460156 AITHBYUASYFMCD-UHFFFAOYSA-N 430.578 1.622 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC)C1 1286463817 ULHLHKSQWXZRNU-SFHVURJKSA-N 435.536 1.349 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286512445 UZOCGDVVARRXPS-ZIAGYGMSSA-N 447.542 1.750 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286665421 FNAGZITTYTVVIH-UHFFFAOYSA-N 425.537 1.773 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1286693533 SKKWHOLSVGIYHW-HNNXBMFYSA-N 434.570 1.725 30 10 IDEE CSc1nc(O)c(C(=O)NCc2c(I)cnn2C)cc1C#N 1288174823 ZYSPSESGXFUJSA-UHFFFAOYSA-N 429.243 1.649 30 10 IDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1288964661 FZIJHOFLBQPECL-CABCVRRESA-N 437.497 1.721 30 10 IDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1294506060 GYRNTMINIWCVAL-NRFANRHFSA-N 439.564 1.890 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)CC3(C#N)CCOCC3)C2)C(=O)C1 1296661687 NHVFAWGXNQPGLU-QGZVFWFLSA-N 434.537 1.767 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1299073292 MQPOTDSJEIBUAE-VQTJNVASSA-N 438.532 1.975 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c1 1299426541 MVXLEUBVQDEGOA-UHFFFAOYSA-N 443.569 1.908 30 10 IDEE COc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2ccc(C#N)o2)cc1 1300071620 UHVLRMSKNYQVKS-UHFFFAOYSA-N 449.515 1.677 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1300495459 HYKOPGKTQIYYGP-CVEARBPZSA-N 426.608 1.940 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1300578713 GUKVYMRQSAGSMD-NRFANRHFSA-N 427.512 1.985 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCO2)n1 1300681530 SQMRIWDWWFJHHM-UYAOXDASSA-N 428.537 1.834 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC1 1300682362 KPGVFTMTVQHUPK-OAHLLOKOSA-N 431.447 1.105 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCC(=O)NC 1300885933 UCRYOXWEQLPHFB-NUJGCVRESA-N 439.582 1.124 30 10 IDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1300940888 ZLLWIKZDENTWTH-UHFFFAOYSA-N 434.367 1.544 30 10 IDEE C=CCn1c(C2CCC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301452844 WNWXERQQRRBJTR-PMPSAXMXSA-N 437.566 1.858 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301485108 QZGNQBMHMOSMMD-VFNWGFHPSA-N 442.476 1.540 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)C1 1301558530 WTDFHPDYVILPEY-HOTGVXAUSA-N 439.582 1.124 30 10 IDEE CCc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306185190 RPVRRKAKMKYWTK-ZCXUNETKSA-N 429.525 1.062 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)CCOC1 1307945861 RLEBDRRKFZNBNL-HYBUGGRVSA-N 442.560 1.888 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCO[C@H](CS(C)(=O)=O)C3)c2C#N)C1 1308116740 JLXRSHHIOHFLQM-KBPBESRZSA-N 425.576 1.819 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)C1CCC2(CC1)OCCO2 1314683590 POSSVZWXVMGFSE-UHFFFAOYSA-N 445.545 1.983 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CC2)cc1 1344359474 AFLIIANQLWJHAW-UHFFFAOYSA-N 428.510 1.937 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCN(CC(F)(F)F)C2)n1 1359027664 QRXSTSFUSZPBJF-QGZVFWFLSA-N 439.486 1.953 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1359030746 DOYQJSGHLMZXFY-CVDCTZTESA-N 442.564 1.581 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359056898 NMQMULBTRMIWEJ-HOTGVXAUSA-N 439.607 1.042 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359331232 RSULEFFPOMQKGG-MRXNPFEDSA-N 444.565 1.082 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(N3CCOCC3)ncn2)c1 1441633260 VBIDYXLGQDUEOA-MOHJPFBDSA-N 444.517 1.378 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1=O 1448512594 CZCCPOOQQQDYCF-OAHLLOKOSA-N 441.575 1.000 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)s1 1448961347 BYNSDDYUWDPZGL-UHFFFAOYSA-N 448.526 1.758 30 10 IDEE N#C[C@@]1(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CCCOC1 1454164480 UENKWWQENAGBET-QHCPKHFHSA-N 425.533 1.389 30 10 IDEE C=CCC1(O)CN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1 1455690789 WVNSMBBFSXPDDB-HNNXBMFYSA-N 431.352 1.901 30 10 IDEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1460357224 ASTAUINHIJKSOL-GOSISDBHSA-N 449.573 1.579 30 10 IDEE C#C[C@H](NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)[C@@H]1CCCO1 1469869348 YJEKNWODPRVSHR-ROUUACIJSA-N 449.552 1.167 30 10 IDEE O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1473510245 CTCWZBILATVPDI-UHFFFAOYSA-N 432.436 1.652 30 10 IDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)c1 1473725218 CFEMARPKXLJTPF-UHFFFAOYSA-N 445.520 1.708 30 10 IDEE COCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504826781 WCIAKDWGPZSSNW-WMZOPIPTSA-N 426.525 1.933 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCN1CCOCC1 1507590400 DLBNGUGGMYHRAI-UHFFFAOYSA-N 438.580 1.634 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507722385 VQRRDQIZELMBNP-QGZVFWFLSA-N 430.578 1.503 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)CC1 1507732959 ZHSNRRYBDWKXKP-UHFFFAOYSA-N 432.569 1.794 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1507753063 IFKSGZMVBIPKRK-MOPGFXCFSA-N 430.578 1.890 30 10 IDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1507959893 PBIJHILPHMYOHP-UHFFFAOYSA-N 434.928 1.881 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1508095855 XKQDQMGASGJONX-UHFFFAOYSA-N 440.552 1.303 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1508144910 JGEPWIGDXSUVIS-MRXNPFEDSA-N 425.599 1.963 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508146978 GBRGIXZSMLTDQN-RTBURBONSA-N 448.637 1.980 30 10 IDEE CC[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1514083665 AOYLTJMXRHYOPU-KIJUOZEOSA-N 427.509 1.277 30 10 IDEE CCO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(C)C 1516105966 HTPWGMQZDYETFY-ARFHVFGLSA-N 428.559 1.068 30 10 IDEE CCOCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1516708849 LAKKILQYFNVFPG-ZPHPHTNESA-N 445.911 1.993 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1519285148 ZVYXOQNFZBFRRA-MXLIYFDZSA-N 432.525 1.765 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1539526493 KZVZSGOGRBAKMM-GOSISDBHSA-N 443.573 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540869366 KMJRRVMLWZDAAV-LPHOPBHVSA-N 425.537 1.108 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540871057 CCMOHBFHOHJXCJ-JKSUJKDBSA-N 434.541 1.578 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 1540871496 NAZGZALEFTUURC-QGZVFWFLSA-N 447.561 1.436 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(S(C)(=O)=O)CC2)C1 1540896270 JKZBXYJNBQEVMU-BBWFWOEESA-N 440.566 1.361 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1541049574 MBQFMGSQNSILRN-CKJXQJPGSA-N 449.529 1.846 30 10 IDEE CC(C)N1CCC(O)(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CC1 1541111841 CIVAAQHPBLDYQR-MRXNPFEDSA-N 443.552 1.837 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)CC1 1542894540 BEIWVYVNSQYHAT-UHFFFAOYSA-N 429.517 1.304 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1555055012 BMGXPDYYGUVXRK-JKSUJKDBSA-N 431.518 1.650 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1555581771 IUCIJKVBBAZVPJ-NRFANRHFSA-N 440.548 1.781 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 1556643016 CPJYYMGBIALXCA-PIKADFDJSA-N 445.545 1.735 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)c1 1565222691 FCXGPEBEGAIFJA-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)C2 1569676182 OVWZAQQUYNIDOD-DZGCQCFKSA-N 435.477 1.866 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1584479628 PWCVPGQRNHBRQI-UHFFFAOYSA-N 443.500 1.959 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1584770457 AFNMWPNZXJRSGV-CYBMUJFWSA-N 427.320 1.708 30 10 IDEE Cn1ncc(I)c1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1587525915 CIHGOZIPLLYKQG-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1587575405 VCYPKQPIYSGTMC-GFCCVEGCSA-N 435.326 1.776 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(NC(=O)OC(C)(C)C)COC1 1587974840 CGRMVGDPWDYUHL-UHFFFAOYSA-N 444.492 1.369 30 10 IDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1588064478 IUCZOTCMOJIAAI-SFHVURJKSA-N 444.557 1.224 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1588064738 OCOABJXRRCJRKZ-OALUTQOASA-N 427.530 1.583 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1588085115 ZMNMIUFLBFVZLC-QRVBRYPASA-N 448.637 1.718 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC(C)C 1588250207 ASYZGJQNZVAYAP-UHFFFAOYSA-N 426.546 1.647 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589068677 CMYNHCRFJNEBSU-QZTJIDSGSA-N 433.578 1.366 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1589069350 KDJSPXZMKIABJR-KGLIPLIRSA-N 431.484 1.653 30 10 IDEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1593683095 HJQFSLQVTFNAQE-HTAPYJJXSA-N 432.569 1.295 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 1596453433 FDVGVEPKWTWEHU-LJQANCHMSA-N 442.493 1.940 30 10 IDEE N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCN(c4ccccc4)CC3)[C@H]2O)c1 1616154458 RWVVXACOCYVAIY-VROINQGHSA-N 449.511 1.355 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)COc1cccc(Br)c1C#N 1617365423 PSOSHMQFARMEDQ-SMDDNHRTSA-N 430.324 1.534 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1617689237 FAYWCONVWVFFKT-GOSISDBHSA-N 436.553 1.030 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1619585055 DMLYYQHFOLBGAK-NVXWUHKLSA-N 440.570 1.024 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1 1636348758 BKSJXWQRLAMMAY-DLBZAZTESA-N 435.550 1.138 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCN(c2ncc(I)cn2)CC1 1643192392 DAQGBMSNTVKHOW-UHFFFAOYSA-N 448.264 1.387 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1647782245 WVCMGVHBABUKKS-QFIPXVFZSA-N 440.569 1.405 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1689949611 LHAFUDRJHHQQFR-MRXNPFEDSA-N 429.521 1.761 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1689966606 WULQNOIYWQDHMC-IAGOWNOFSA-N 427.530 1.303 30 10 IDEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690468174 UAQGUGCOYWMCIA-GOSISDBHSA-N 449.515 1.232 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690497629 VNBNDHRECWUZEI-SFHVURJKSA-N 430.553 1.698 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690507104 DCBBLPYDTDJMOL-FQEVSTJZSA-N 446.596 1.857 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCCC[C@H]2C1 1690675727 CQGJSILQMWNMAZ-SFHVURJKSA-N 440.548 1.842 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1694423965 HTXXNGFAHOEXJX-INIZCTEOSA-N 426.521 1.947 30 10 IDEE COCCOc1cc(C)ccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1698184827 RLEKOQWQKPOOEG-SFHVURJKSA-N 435.488 1.846 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1698487696 XAWNLPSQAWKKBP-KBPBESRZSA-N 432.387 1.312 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1698490839 JQTVQECCFUNJNU-BBWFWOEESA-N 448.321 1.976 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCOC2)n1 1705631656 LSGATANIUVHATM-UGKGYDQZSA-N 444.536 1.154 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2Cc2nncn2C)n1 1705631730 ORBQDYNUBFWIHB-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[S@](=O)CC)CC1 1705633912 BQGCSKHPQLCBQT-AREMUKBSSA-N 439.383 1.560 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1705824707 YKJFRPBGDIDKHM-GCJKJVERSA-N 433.553 1.724 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC)C1CC1 1705853442 ATKUTXIKBPIPKQ-VQIMIIECSA-N 427.571 1.317 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1 1705876132 PRCCIFFJRJZRRW-SQNIBIBYSA-N 439.582 1.605 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2scnc2C)C1 1705915373 JXTIOBVFOMSLFH-GJZGRUSLSA-N 440.595 1.677 30 10 IDEE CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1706006531 BAXZFTZEGYPTRU-UHFFFAOYSA-N 433.520 1.833 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1706680391 QZWXJHXVSNBCKR-GCJKJVERSA-N 440.504 1.195 30 10 IDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1CCS(=O)(=O)CC1 1707908942 DGYUBMLKAGMSNC-UHFFFAOYSA-N 432.525 1.749 30 10 IDEE CC[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1708335062 POHWJWMMPVWXKC-KQDGPHEJSA-N 434.541 1.939 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N(C)C 1711072519 DKRDBKAXOUQNKY-UHFFFAOYSA-N 427.534 1.683 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCSC1 1712454081 HODPLSDPPYWYFC-HZPDHXFCSA-N 427.596 1.690 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(-n2cncn2)c1)[C@H]1CCS(=O)(=O)C1 1722368993 XOQHGAHLVUHJET-SFHVURJKSA-N 425.518 1.096 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722378057 PELAWUHJEMKPSX-AZUAARDMSA-N 438.557 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)=O)C1 1722398379 XAWRUQOPXPCPFA-SFHVURJKSA-N 436.516 1.727 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(=O)N(C)Cc2ccccc2)CC1 1722435486 OKCJCNKHIXZBIS-UHFFFAOYSA-N 431.544 1.697 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722439114 PDQCJHKVPGYAHJ-FQEVSTJZSA-N 445.564 1.731 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ncccc2C)CC1 1722448754 GYFKHOWBBWAWHA-UHFFFAOYSA-N 429.528 1.981 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC1 1722449981 XBJYMBZMNKURNM-QGZVFWFLSA-N 436.516 1.797 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1722501138 WCJMKYRMXPTKKJ-UHFFFAOYSA-N 434.566 1.775 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 1722582326 HIRWAJFLIVMNLU-CQSZACIVSA-N 434.557 1.878 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1722672912 CBJANUBNKASKII-GOSISDBHSA-N 431.562 1.504 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccc(Cl)cc1 1722692345 JDZSVNWBBZDEMR-UHFFFAOYSA-N 446.939 1.985 30 10 IDEE CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1728058030 YKMOIQCNGSMGBY-HNNXBMFYSA-N 432.554 1.282 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740592235 UHQLRJNQAQHJJN-FQEVSTJZSA-N 443.573 1.847 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1740627870 TTXAYGRCVCHHKN-ZWKOTPCHSA-N 436.578 1.616 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCN1CC 1740684690 YSFFMQSPIJGMSL-KRWDZBQOSA-N 428.537 1.966 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc(-c3cccs3)n2)CC1 1740688908 LHKCHKONJBLTFS-UHFFFAOYSA-N 439.545 1.936 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740709500 HYJLLLJOFJKNAS-QGZVFWFLSA-N 432.594 1.622 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1740723899 VXZQUYMCEGKQLL-HXUWFJFHSA-N 436.582 1.148 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCC(N)=O)CC1 1740750712 TXQQBLKVRSNFEK-UYAOXDASSA-N 444.580 1.977 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(CC=CCC2)C1 1740951934 QOJKMKKFANJOKV-OXJNMPFZSA-N 436.582 1.517 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740991157 PLUCZOFNTSBWDM-QZTJIDSGSA-N 439.582 1.078 30 10 IDEE CC(C)(O)CCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741255192 JAAZGGUYJAUDAR-UHFFFAOYSA-N 425.493 1.096 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1741876434 DEAQTNXBUDHNOQ-SBUREZEXSA-N 437.548 1.487 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCC(F)(F)C1 1741943478 GMILGIIAJMPSOO-ZNMIVQPWSA-N 446.524 1.833 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 1741983122 GKZDMASXLQMNHI-QFBILLFUSA-N 425.555 1.711 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1742363216 BIIFIXBXXKJAEZ-HKUYNNGSSA-N 445.545 1.719 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1748671662 MEKSYPLIFDUBJR-HIFRSBDPSA-N 447.952 1.577 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1748714312 XVQAXPLXRMEFIU-MRXNPFEDSA-N 433.516 1.662 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1748766520 RSBKGPPYUWKTSU-UHFFFAOYSA-N 435.463 1.493 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1748811116 BUTCYGAFBGPSIG-SFHVURJKSA-N 437.529 1.308 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1748811917 OEPHJJUVTUUKBQ-QGZVFWFLSA-N 427.534 1.115 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1748821950 WUMWSBMVDRXPJL-LJQANCHMSA-N 441.557 1.199 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1748830361 VCLBUNDTRAQVPA-OAHLLOKOSA-N 435.937 1.694 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1748891670 CUAFDIBRGDASFE-KRWDZBQOSA-N 430.505 1.839 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCO[C@H]2CCOC2)CC1 1748994326 DRLUAYNPFBXOSV-FQEVSTJZSA-N 427.553 1.091 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCC(=O)N(C)C)CC1 1749010018 GBVXBTCZOUIMSX-UHFFFAOYSA-N 440.523 1.918 30 10 IDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1749209396 WQMZLPSHOQTMJN-OAHLLOKOSA-N 438.579 1.982 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749264646 BECYMILPEIYJIZ-UHFFFAOYSA-N 429.912 1.328 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)OC 1749537216 CDIQWFWPTRRLPV-PKOBYXMFSA-N 449.577 1.839 30 10 IDEE COCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1749656554 BKQFPDNGHIZVNI-GOSISDBHSA-N 438.536 1.639 30 10 IDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749670281 JFLGIGAILJJBHJ-SFHVURJKSA-N 441.511 1.993 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1749683922 KHDHZDKINLWFDW-KRWDZBQOSA-N 440.529 1.972 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nnn(C)n2)C1 1749696851 XKOXHUIPIIBTKK-HNNXBMFYSA-N 432.435 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2C1 1749734053 DQBMJZBQUJWGAV-KRWDZBQOSA-N 436.559 1.301 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cn2cccn2)cc1 1760192517 JQASEWRWNNPSFO-UHFFFAOYSA-N 427.512 1.880 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1760240678 YRODIZIEQPSAJB-MRXNPFEDSA-N 449.552 1.972 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2nnc(C)s2)CC1 1760257551 ZBKQEIGKABNZLK-OAQYLSRUSA-N 445.593 1.478 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1760270445 XRXCFWSCKVOHMV-HKUYNNGSSA-N 444.580 1.443 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1760337885 XRLVNVMDCXTCPF-HZPDHXFCSA-N 445.611 1.007 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1760353495 UJJSYNBRZONFDO-UHFFFAOYSA-N 429.521 1.841 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760529174 YNHPARRRVCLKJD-MTNREXPMSA-N 449.552 1.005 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1760687179 GNGYMYKSWIMXML-QGZVFWFLSA-N 439.568 1.547 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1765012370 YECJDOLBXUEOFX-BSBNDGSWSA-N 441.536 1.252 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)C1 1767251313 DZKMKAVFJDGJLH-RTBURBONSA-N 444.561 1.760 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1768519999 CSRISUIMKASQKI-HSALFYBXSA-N 437.548 1.551 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1769221559 HNNLTMACKFKQRE-UHFFFAOYSA-N 445.527 1.835 30 10 IDEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N(C)C)cc1 1770279151 BJIUEVQWDJFWCV-UHFFFAOYSA-N 448.549 1.497 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1771039695 JLUFUCYNYJTDPR-IBGZPJMESA-N 446.577 1.408 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCCN(CC(=O)N(C)C)CC3)n[nH]2)c1C 1849327551 WDLQWKNSHXUVKZ-UHFFFAOYSA-N 427.553 1.702 30 10 IDEE N#CC1CCN(C2CCN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)CC2)CC1 1849405761 XMBPGAJDKCJCHV-UHFFFAOYSA-N 430.530 1.448 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC#CCN3CCCCC3)C2)cc1 1850124898 JLIBMIUEJPXFRD-IBGZPJMESA-N 433.574 1.701 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4[nH]nc(C#N)c4C3)CC2)cc1C 1850418662 BYEVIIGBEYYQPO-UHFFFAOYSA-N 427.530 1.884 30 10 IDEE Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C(=O)Nc4nccc(C#N)n4)CC3)CC2=O)cc1 1851140262 KYZJMOAJNBQFLI-IBGZPJMESA-N 446.511 1.883 30 10 IDEE CC(=O)N1[C@H](C(=O)N2C[C@@H](C#N)CC2=O)CSC12CCN(Cc1ccccc1)CC2 1852953777 DMFPIGQNYGLKIF-MOPGFXCFSA-N 426.542 1.841 30 10 IDEE CC(C)N([C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1853744406 DEMDHJIMVLPOLA-UXHICEINSA-N 431.558 1.906 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H](C)n1cncn1 1854516371 IAUFQFVAVVWGJX-OAHLLOKOSA-N 429.502 1.708 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nc(C)c(C)c(O)n3)CC2)nc1C 1859431155 QIMGDVFTEXQEQH-UHFFFAOYSA-N 446.533 1.667 30 10 IDEE COCCN(CCOC)C(=O)[C@H](C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868783503 SCEFDOVDMZATNR-FUHWJXTLSA-N 436.578 1.651 30 10 IDEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCCC1 1869934106 YWRBUHZJFHMWAW-QGZVFWFLSA-N 438.619 1.839 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 1890418283 AJTYYGFDUKYSBA-UHFFFAOYSA-N 441.544 1.775 30 10 IDEE C=C[C@@H](N)C(=O)Nc1c(I)nc(C)nc1I 1986014830 LLYXYRGDGRXBJS-RXMQYKEDSA-N 444.014 1.446 30 10 IDEE C#CC(CC)(CC)NC(=O)CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195274262 SSHDMGLYZKYAFH-INIZCTEOSA-N 438.502 1.089 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1CC#N 2225637975 VANYVSOPXHABCH-SJKOYZFVSA-N 429.420 1.964 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243411910 CGWJZFKXAQOXMR-VXGBXAGGSA-N 444.384 1.991 30 10 IDEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243685964 FDYYKIFYUZSMHN-VHSXEESVSA-N 430.311 1.449 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247849038 UIRCNEYZHBTMET-OLZOCXBDSA-N 438.355 1.757 30 10 IDEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](OC)C1)B1OC(C)(C)C(C)(C)O1 2247963618 YKDQAQGXJQOMGY-GJZGRUSLSA-N 446.375 1.728 30 10 IDEE Cn1cc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255615180 PDKKFUGHGZJCTM-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255629562 XPPZCGNGNPJSHZ-VIKVFOODSA-N 432.330 1.646 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255705365 UCJPDOKWMPJXEH-OAQYLSRUSA-N 436.314 1.681 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255831030 PAHBLMMKNCTGEY-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 2267264113 NQYJNCPGARNZFA-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@H]12 2267486680 MZBXUHFFAOMFQE-OAGGEKHMSA-N 448.325 1.943 30 10 IDEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267530522 BOFOLQGULRCHAT-RYUDHWBXSA-N 444.263 1.628 30 10 IDEE C#CCOc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2286045391 QFYHQMIGBNDYAQ-GOSISDBHSA-N 432.454 1.820 30 10 IDEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2315696931 LCWUTECTZCMPDH-NSHDSACASA-N 447.288 1.973 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@@H]2NC(=O)OC(C)(C)C 2337206605 PTEGSIPJGCKJQK-ABTIHDLSSA-N 446.357 1.895 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 57830774 XWNKWQYPCVEXLV-LJQANCHMSA-N 434.968 1.931 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2c(N)cc(Br)cc2Br)CCO1 123261777 RJEVWRMMPNUHEV-MRVPVSSYSA-N 425.102 1.707 30 10 IDEE Cc1ccc(C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1S(=O)(=O)NCC#N 427995740 MATVIZADFHUWOA-AQHYVHGCSA-N 427.526 1.036 30 10 IDEE CCc1cnc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)s1 461399782 DAQZRUXBBOIQSJ-UHFFFAOYSA-N 433.559 1.778 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)cc1 476224766 WJEOJTMNLSGYLR-UHFFFAOYSA-N 428.513 1.578 30 10 IDEE COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 492357268 NEIGYESSZIGKIR-UHFFFAOYSA-N 430.324 1.579 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@H]1CCCO1 507080016 QBSIUMRPKMREIJ-GOSISDBHSA-N 443.544 1.956 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 508477763 NGUVEADYQCCAMY-NRFANRHFSA-N 447.561 1.589 30 10 IDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 533608680 ZFHNFDDTLYKXLD-JTQLQIEISA-N 427.324 1.952 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)n1 542070738 BUPGLBGLRFWXPS-UHFFFAOYSA-N 441.879 1.352 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(Cc2nc(C)no2)CC1 555244375 ITWUPIUHRORGCB-UHFFFAOYSA-N 442.549 1.859 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CC#CCN2[C@H](C)CC[C@@H]3O[C@@H](C(=O)OC)C[C@H]32)O1 556534152 OEBHFZITWSIKOL-SFPMRMGKSA-N 448.560 1.357 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(N)=O 595529195 BCKBVAIFNLQQMQ-UHFFFAOYSA-N 447.516 1.407 30 10 IDEE COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 604037562 SZIGNOJGUFBRTH-UHFFFAOYSA-N 443.934 1.615 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 610479072 OKSKJUSIMCMOIG-INIZCTEOSA-N 428.493 1.035 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 669808698 XKCCUMOTIGXUFZ-KURKYZTESA-N 439.582 1.440 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 729330724 IDFRZZPAKUHCHG-SFHVURJKSA-N 438.571 1.514 30 10 IDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730138903 ONIVBPRIDAYINC-KRWDZBQOSA-N 435.550 1.291 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2scnc2C)cn1 730143410 BLMWYRPYGDAOAX-OAHLLOKOSA-N 449.606 1.868 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 746314252 ASWIWCWCSYVNSG-WPCFGXOUSA-N 430.427 1.552 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnn(CCC(F)(F)F)c3)CC2)o1 752291141 QYXZZUKXNCLHRU-UHFFFAOYSA-N 440.382 1.509 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NOCc2ccc(F)cc2)c1 755570725 JDMHAJRHZLZLBQ-MOHJPFBDSA-N 448.476 1.825 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 760777689 OQQSUUPUWAJTJS-HSZRJFAPSA-N 448.483 1.078 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)N[C@]2(CC(C)(C)OC2(C)C)C1=O 765084375 ZAJCVDKPYJHAIX-SPLOXXLWSA-N 427.509 1.084 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)cc1 770893515 SGWAIAGAIYPNNJ-HXUWFJFHSA-N 443.569 1.853 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1Cc1ccon1 772921220 AYQVHCGFCMQYBX-UHFFFAOYSA-N 443.488 1.276 30 10 IDEE Cc1cc(S(=O)(=O)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)sc1C 775291017 HZVCYOWZVOOTCM-HNNXBMFYSA-N 446.510 1.947 30 10 IDEE CC(C)(C)OC(=O)N1CCC(OCC(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1 777285525 PNJCYWTUHXKYFT-UHFFFAOYSA-N 437.518 1.920 30 10 IDEE C=CCC[C@H](C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1)c1ccccc1 778632605 UFNLAXKOFLXMPO-FQEVSTJZSA-N 438.528 1.831 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(F)ccc2N2CCCN(C(C)=O)CC2)CC1 790544588 ZWBQQUOGMOOBKQ-UHFFFAOYSA-N 443.523 1.878 30 10 IDEE C[C@]1(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCC(=O)NC1 798777108 DVNNJROLECJTAE-CMJOXMDJSA-N 442.516 1.816 30 10 IDEE COCc1cnc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)s1 814696810 OUQVKBJGRXFYAQ-UHFFFAOYSA-N 441.491 1.665 30 10 IDEE C[C@H](OC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)N(C)CCC#N 915523694 YYRPXURKHOXEPD-LBPRGKRZSA-N 438.278 1.868 30 10 IDEE COc1ccc(N2CC[C@H](CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1130185323 DWBHHHMNJGQQRJ-OAHLLOKOSA-N 428.514 1.376 30 10 IDEE CC(C)NS(=O)(=O)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1136432253 JRVREQBXWQMXRU-XAUUPUKJSA-N 428.555 1.217 30 10 IDEE CN1CCN(C)[C@@H](CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1136761392 KEZOLQDDYHAGTQ-ICSRJNTNSA-N 427.549 1.755 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1 1141055732 INMLOENMPCCAPU-OAHLLOKOSA-N 427.523 1.109 30 10 IDEE C=CCCC[C@@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1155474663 ISGFSWPDQJSWTN-GOSISDBHSA-N 438.546 1.898 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1160234477 DBKPBUQXNXOIKQ-XOBRGWDASA-N 435.550 1.732 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)cc1 1160328664 OOKNCHWXOWILDD-UHFFFAOYSA-N 429.502 1.522 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)CC2=O)cn1 1163652179 LSDFHYJJLKHNLI-QUCCMNQESA-N 436.516 1.491 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CCOCC1 1231331330 JOPHYVYVJMAESY-ZWKOTPCHSA-N 436.553 1.477 30 10 IDEE C=CCn1cc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nn1 1252076482 GGSVCIFIXBOHNC-UHFFFAOYSA-N 434.522 1.079 30 10 IDEE COc1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1C#N 1252852294 VJTJXYJDRHEMPW-UHFFFAOYSA-N 428.514 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1255060234 CZBIBCMTWZBKLX-QFIPXVFZSA-N 444.536 1.811 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286324607 QFQWWTNGJHWXLU-RTBURBONSA-N 446.577 1.394 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(NC(C)=O)CC1 1286339451 MECHVGITVJBNKU-UHFFFAOYSA-N 429.546 1.867 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1286380364 BUOLPVMIYPLBNX-RXVVDRJESA-N 436.578 1.747 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1286431166 MFTJNWXZYLUQIF-GOSISDBHSA-N 449.577 1.033 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1286447839 NSXSVPVTCDPNMK-OAHLLOKOSA-N 439.582 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)N(C)C)CC1 1286488772 SZRDUNAQFSJEJE-UHFFFAOYSA-N 448.571 1.802 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286523298 YBFAHIJMELMRKY-SPYBWZPUSA-N 440.470 1.484 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286538033 LITDNMSCHSJDBO-SNPRPXQTSA-N 439.358 1.295 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1286620483 MSNKVCLKTLOIGU-CYBMUJFWSA-N 439.973 1.665 30 10 IDEE C=CCCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286691619 MKZCNUUDXYYZES-FQEVSTJZSA-N 441.598 1.758 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286815336 RXXFSWRTILWBDX-CQSZACIVSA-N 437.953 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286818446 IRCSYHAIIFGFCO-UHFFFAOYSA-N 446.577 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)OC(C)(C)C1 1286822275 CEGXDYITWPKTON-HNNXBMFYSA-N 425.555 1.005 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286950454 GDTWVDDHWWTXLM-QGZVFWFLSA-N 428.928 1.696 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C)N1CCOCC1 1288607300 OFLVCSFYESASSY-KRWDZBQOSA-N 439.564 1.888 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1295161457 FSUVNHYSUZPESH-KRWDZBQOSA-N 440.533 1.490 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 1297517187 NCCLOVDFJFDYAG-UHFFFAOYSA-N 446.573 1.549 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(OC)CC1 1299300070 ATTMLQMVGWPZEH-FQEVSTJZSA-N 432.550 1.761 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1300363753 GASHOIGJMPPUQM-BBWFWOEESA-N 425.555 1.028 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1300402264 XNWYBQOCEFUYEY-SFHVURJKSA-N 426.477 1.747 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)CC1 1300419761 SSVVGRSYVNSWFT-UHFFFAOYSA-N 435.576 1.383 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1300700411 OQXAJUPHJNEVIW-WOJBJXKFSA-N 448.637 1.056 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1301484776 NISBYHPGBRQRKP-UHFFFAOYSA-N 446.515 1.738 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301578532 CXTKDXVYKCEPRZ-AEFFLSMTSA-N 444.561 1.497 30 10 IDEE CC(=O)N1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301698885 FGOKOIGHAKQSMC-FMQUCBEESA-N 429.525 1.062 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCN(C)C(=O)OC(C)(C)C 1301806280 AZMYNNTVDPAXKN-UHFFFAOYSA-N 432.529 1.912 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1301817646 GBBQRMCCYLRATC-MRXNPFEDSA-N 431.447 1.303 30 10 IDEE CCNS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1306893369 VGDMHFJDHAPZLP-UHFFFAOYSA-N 431.470 1.503 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313493102 FSXDMWUZXXCDJX-SFHVURJKSA-N 438.536 1.639 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1314964501 DXGJWUOKFWUVDD-HSZRJFAPSA-N 437.548 1.941 30 10 IDEE COCC[C@](C)(O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1315977722 BNNOVXDINQXFHD-SLFFLAALSA-N 425.505 1.548 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1316297707 MJWULTUVFOPAFZ-BOSXTWCSSA-N 436.582 1.168 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1316341243 HVRAZZBNBRDXFJ-GOSISDBHSA-N 444.561 1.733 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(-c4cnccn4)n3CCCCCCO)CC2)c1 1316533503 SDFJSBSYIKDPKO-UHFFFAOYSA-N 433.520 1.881 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)cc1 1322097693 CXYPEYNSORCDNH-HXUWFJFHSA-N 447.539 1.858 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2)c1 1322849606 GYAHTQVCPPHCJB-UHFFFAOYSA-N 426.492 1.691 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCS(=O)(=O)CC1 1357209033 APTIVBNCZWAANO-UHFFFAOYSA-N 448.545 1.139 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 1358912946 BMDAVSARKZTAPC-ULQDDVLXSA-N 441.623 1.745 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1358949087 SIVAWDKUULODNU-AWEZNQCLSA-N 443.451 1.634 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1358956935 MULGLMWVGVZXFI-NQIIRXRSSA-N 436.578 1.746 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1358999997 JIELJBDTYDRRGD-DLBZAZTESA-N 430.578 1.799 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)OC)CC1 1359046434 RKOJQQSFZCFAPS-KRWDZBQOSA-N 435.532 1.517 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCO[C@H](C)C2)CC1 1359159416 VUNROLMGRSOLEA-MSOLQXFVSA-N 440.614 1.546 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1359294527 WNHBXMHZZALDBK-LJQANCHMSA-N 432.481 1.093 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCNS(C)(=O)=O 1359296067 VZQRWVSNMTYPDM-UHFFFAOYSA-N 444.920 1.025 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1359302167 YHITUURCAYKCNR-INIZCTEOSA-N 442.568 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359331941 KWSREZPTBIIVPA-PKOBYXMFSA-N 437.610 1.693 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359865031 VDBIITOZQVDJHH-CVEARBPZSA-N 430.475 1.859 30 10 IDEE COC(=O)C1(C#N)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 1460109262 FGTJCMOERIRITN-CALCHBBNSA-N 446.523 1.834 30 10 IDEE N#Cc1sc(NC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1Cl 1466804456 HBWVMXLSMSTTHF-UHFFFAOYSA-N 436.906 1.967 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1470034970 WMPHNJXXDAOXBL-UHFFFAOYSA-N 434.543 1.086 30 10 IDEE CC[C@@H](CN1CCOCC1)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1471393213 BSQITLCQVSAAJY-INIZCTEOSA-N 428.493 1.749 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1471821028 TUCCCOAENILXAT-KUHUBIRLSA-N 444.513 1.662 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1C(=O)OC 1472350393 XIUWOOLSWZILKV-HZPDHXFCSA-N 431.294 1.328 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cs1 1492681580 AZHQVKBBLXJBTJ-OAHLLOKOSA-N 436.563 1.330 30 10 IDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)CCO2 1494665996 IJUVCTNNJXXZAJ-HTAPYJJXSA-N 427.505 1.600 30 10 IDEE Cn1cc([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)C2)cn1 1503655220 VMLXIODQFYGFTB-GOSISDBHSA-N 439.545 1.979 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ncn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1507622706 LDCLNTHVXOXZRD-GOSISDBHSA-N 439.545 1.657 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1507653842 RPNFNQRRALTZCO-QGZVFWFLSA-N 429.521 1.506 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1507654354 ZJMISCJWEKWJMD-SFHVURJKSA-N 435.509 1.956 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1507765667 UGJICISCCMQSEH-HTAPYJJXSA-N 444.605 1.990 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1507791575 NGUJPGBPQOELRM-AABGKKOBSA-N 444.580 1.848 30 10 IDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1)c1ccccc1 1507924100 IQMJNGOMOXSYID-WZGPROSRSA-N 447.561 1.810 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1507954948 SKVXVEUAMMDPLQ-ZWKOTPCHSA-N 449.581 1.652 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1507982323 MAHLYUQWSIIUMC-ZIAGYGMSSA-N 426.568 1.493 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN(C)C(C)C 1509682959 HIZDQBDKTDDXGS-UHFFFAOYSA-N 439.568 1.350 30 10 IDEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1514053030 ALTRJDHQZANKNW-IIBYNOLFSA-N 429.546 1.993 30 10 IDEE COC[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1518707659 DAHVPOQTQLHXBD-QZTJIDSGSA-N 447.547 1.923 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1O 1520645498 LAVKUZQBVYFROO-YWMUFLPLSA-N 429.546 1.804 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2F)CCO1 1521128919 HJERHHBKMZHTBG-DLBZAZTESA-N 433.509 1.681 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 1525683716 MPQPXGKCDMYKQS-OAHLLOKOSA-N 425.441 1.884 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)Cc2ccco2)cc1 1528998360 FRDRWBKQFNLVBC-UHFFFAOYSA-N 446.529 1.446 30 10 IDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)[C@H](C)COC 1531888182 ZOSHNVWQKGYHON-OAHLLOKOSA-N 442.534 1.388 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1539072533 SGXYJRXWIHNUAK-SJORKVTESA-N 441.623 1.746 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539215443 CBQBPRFCKSBVRQ-MRXNPFEDSA-N 437.566 1.697 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC 1539305035 MXYNGKPTNRORJR-UHFFFAOYSA-N 429.546 1.695 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1539441107 KZVKOWGIWHHBLT-GAJHUEQPSA-N 441.532 1.257 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCS(C)(=O)=O 1539490589 FHQUUTVXFJHEDX-UHFFFAOYSA-N 449.602 1.994 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539947427 MDBICNMOAGHHTF-KRWDZBQOSA-N 443.552 1.637 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H]2OC)C1 1540883623 CIGQMWRZIHFPSW-MWDXBVQZSA-N 427.571 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1540905239 RUYMESBMUNXEOM-KRWDZBQOSA-N 449.552 1.849 30 10 IDEE CN1CCCC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1543889802 MBMGLFGXGGJPCT-IBGZPJMESA-N 432.546 1.428 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(I)cn1 1544572122 MUUOLFGKVCUSDI-LLVKDONJSA-N 434.241 1.699 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1547314134 XGOXVJKLAPYNTR-YLJYHZDGSA-N 437.548 1.452 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1547741975 HBRPHZGYNWVQJA-HDICACEKSA-N 426.521 1.829 30 10 IDEE CN(C)CCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1552875463 NBHXAQFMOIJZAA-GOSISDBHSA-N 437.504 1.907 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1555573817 DHINLZDLRACYHS-VGOFRKELSA-N 444.486 1.945 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCOC2)c1 1555793948 DKOKFCVNHBPQES-RDJZCZTQSA-N 431.518 1.504 30 10 IDEE C=CCc1ccc(OCC(=O)N2[C@@H](C)SC[C@H]2C(=O)NCCC(=O)OC)c(OC)c1 1556930478 QMKGVVZVWDUBSE-ZBFHGGJFSA-N 436.530 1.772 30 10 IDEE C#CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1557661006 BRRUFQXMMXNSON-IBGZPJMESA-N 431.558 1.480 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CC1 1558073085 MCGBPXKFJAIXGW-INIZCTEOSA-N 444.598 1.270 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 1558073127 MDKFVMBCQLUHIE-UHFFFAOYSA-N 432.315 1.133 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 1559418976 OSLNGAAXXGKJEQ-UHFFFAOYSA-N 449.510 1.040 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1565875330 UFXYAATXMGHRJK-OAHLLOKOSA-N 441.916 1.716 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 1566385689 HHNKHOBSTVFOJT-UHFFFAOYSA-N 426.494 1.787 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)s1 1585618420 XOCNGJSFISDKOU-UHFFFAOYSA-N 435.506 1.996 30 10 IDEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1587706237 NRPVZRUMKUSYEQ-INIZCTEOSA-N 428.541 1.062 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1588060033 YBCCTJNWMNTKOY-CQSZACIVSA-N 436.484 1.299 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1588083246 CSFGJXLVVZVBQE-JKSUJKDBSA-N 433.509 1.568 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCOCC1 1588109778 NGXIUNSTJNDFRW-UHFFFAOYSA-N 445.531 1.104 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)C2CCCCC2)CC1 1588750913 HCFZYLFLCCAWCB-DEOSSOPVSA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OC)cc2)CC1 1588811383 IAUHWFKZHOLIPE-LJQANCHMSA-N 443.573 1.187 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1588930531 YNXCCMVGJPKYAQ-LYHRCORUSA-N 431.581 1.935 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589406110 UTGHHJYMRLGYJY-MGPQQGTHSA-N 429.315 1.441 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@@H](F)C2)CC1 1594096537 CVUXQOVOHMAFCJ-BBWFWOEESA-N 427.546 1.906 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1594813363 RIYSYCFCVBHIJP-QZTJIDSGSA-N 448.593 1.890 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1595218458 KRKGMGHBVMLAGG-GOSISDBHSA-N 432.550 1.427 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595555878 KCNBCDXULWOMSN-LJQANCHMSA-N 436.560 1.975 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCC)C1 1595728839 GPBDNSIKHALOPQ-CEXWTWQISA-N 437.610 1.836 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1598062899 LXWRJDPEYVAGNZ-GOSISDBHSA-N 425.541 1.017 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCC[C@@H]1C 1608452780 ALQRNOQOVHFBOB-HNNXBMFYSA-N 438.536 1.436 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1611796100 SKJSSIUVDCOSTI-NCJSADBTSA-N 430.509 1.661 30 10 IDEE CC12CCC(CC1)N2c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1611808822 RIZKLJVMWMLYLH-UHFFFAOYSA-N 430.534 1.799 30 10 IDEE COC[C@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619609895 IOZWBNIJIAXORH-QGZVFWFLSA-N 442.499 1.092 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCCO2)CCO1 1620354504 GSTXYTJFVFCZTQ-IRXDYDNUSA-N 441.492 1.240 30 10 IDEE C#CCN(CC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C(=O)OC(C)(C)C 1626715702 WUBZUVRDGWRERR-UHFFFAOYSA-N 444.532 1.557 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)CC1 1626966538 GQOONBDTZYGAJW-UHFFFAOYSA-N 443.910 1.661 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 1631224756 MFWNIWGMCAQJPW-MRXNPFEDSA-N 441.550 1.451 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(F)ccc(C(=O)OC)c3C2)cc1 1632961998 BYNIGBVCPCXLIQ-UHFFFAOYSA-N 430.457 1.722 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 1635728479 PFNRVCKLFDIDSW-UHFFFAOYSA-N 431.294 1.409 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)nnc1-c1ccco1 1636316981 NBLGPYJYSSENJW-HNNXBMFYSA-N 445.545 1.696 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCC#C[C@@H]3CCCCO3)CC2)c1 1637186276 PZUAZRVRVRJTPH-FQEVSTJZSA-N 432.542 1.979 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 1637725300 RYIBEJSSQHWIHJ-UHFFFAOYSA-N 441.557 1.536 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)s1 1639557653 QSPSDSURCUOXLS-JTQLQIEISA-N 429.545 1.875 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1639557703 UOBCBEWQZWNPFL-JYJNAYRXSA-N 428.576 1.995 30 10 IDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c2C1 1640509020 HEKGVFBFACTRJG-IBGZPJMESA-N 434.544 1.848 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3NC(=O)C[C@H]3c3ccccc3)CC2)cc1 1641029375 ZTDKPGPYGFFWCE-FQEVSTJZSA-N 438.509 1.964 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1643512761 MPQRMUBWBHIZEL-UHFFFAOYSA-N 426.485 1.742 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1652521011 JTQXWWOILLFIRE-CECAUBDESA-N 445.541 1.918 30 10 IDEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)C1CCOCC1 1658995201 DZDYPBORIXSDDL-HXUWFJFHSA-N 434.562 1.563 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)cn1 1664952938 NSHXXHXQSGFAIX-UHFFFAOYSA-N 445.328 1.769 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1679944340 LIVMAGJYTAWCFC-HUUCEWRRSA-N 433.513 1.652 30 10 IDEE Cn1cc(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccc(Cl)cc21 1681398291 YTGIUIYUEDASKH-UHFFFAOYSA-N 426.864 1.775 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1681597866 HZOXVPWCPQLLPB-GOSISDBHSA-N 435.569 1.195 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 1686714239 NQEAMHHLMARPRI-SFHVURJKSA-N 435.525 1.310 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1689991313 ZNTYODRYRAWXBO-QGZVFWFLSA-N 430.578 1.835 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690122554 VJRNHWNLCORTAI-OYRHEFFESA-N 437.592 1.903 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[S@](=O)C(C)(C)C)CC1 1690142416 NSZNDWZPMVBJTL-HKBQPEDESA-N 444.605 1.797 30 10 IDEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1690287474 DHYAERSFADTPKY-KRWDZBQOSA-N 448.568 1.920 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690629128 FHNNXYFNFWHAAQ-CYBMUJFWSA-N 426.493 1.679 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690676174 RWDXENXCWRJIJS-FDDCHVKYSA-N 441.532 1.852 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)C1 1690699788 JAVVOVOEOWPNHH-IRXDYDNUSA-N 434.566 1.360 30 10 IDEE C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1692647027 QPLURUWOQRBXSJ-ALVKDLLRSA-N 449.515 1.953 30 10 IDEE CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695439481 HLLJPPQZWIJONP-INIZCTEOSA-N 448.535 1.187 30 10 IDEE CN(C(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1696570527 HUVKOEIOBDDBSD-OAQYLSRUSA-N 431.516 1.634 30 10 IDEE CN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1696707590 GGPWNQXQSGPOCU-UHFFFAOYSA-N 446.558 1.976 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1=O 1696879986 CZMADFFBKQDWEU-MRXNPFEDSA-N 447.465 1.979 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC=CO2)c1 1698293504 GANUOGIEGWNELB-SJORKVTESA-N 429.502 1.770 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1698302708 PFEFCRFKGPAPMO-GOSISDBHSA-N 428.518 1.760 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1705476861 GGNRATVPJFAGTM-KBPBESRZSA-N 428.559 1.261 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1705645358 RANHCAFWNXKPPE-UHFFFAOYSA-N 436.560 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(C(N)=O)CCCC2)CC1 1705647733 JBLOVKJQPJCVOP-UHFFFAOYSA-N 428.581 1.878 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705705377 HANDHLLSFLZGHA-NSHGMRRFSA-N 431.562 1.868 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1705832652 DMYFUBMGRVHHCA-NHCUHLMSSA-N 435.525 1.554 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1705849902 ZOBFOJTVLIDEMQ-ZIAGYGMSSA-N 442.586 1.956 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2scnc2C)C1 1705915376 JXTIOBVFOMSLFH-HUUCEWRRSA-N 440.595 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705937467 URFKSYTVZUDMKU-UHFFFAOYSA-N 430.596 1.235 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc2c(c1)OCO2 1706069448 CRHVMMPADFRASK-HNNXBMFYSA-N 426.477 1.918 30 10 IDEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1cccnc1 1706260386 GDPHSSLTTPGSCJ-QYZOEREBSA-N 444.561 1.744 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1snnc1C 1722276006 FJUHLWULCMQPPV-ZDUSSCGKSA-N 445.574 1.862 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1722362990 YBYLGEPHAXZBBM-CYBMUJFWSA-N 437.323 1.270 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722363018 YLRXICDYFDLJBY-DLBZAZTESA-N 434.566 1.366 30 10 IDEE C#CCN(c1nnc(CC)n1CCCc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 1722367796 OHEGNEACGSUWDQ-INIZCTEOSA-N 426.546 1.976 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCOC1 1722374963 ILJOKZMUKXDYMU-HXUWFJFHSA-N 445.317 1.940 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)CC=C)CC1 1722439320 XTTBBIUWMUUPSB-UHFFFAOYSA-N 443.573 1.234 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC[C@H]2COCCO2)CC1 1722440241 GRPKCWYQDGQHNW-NRFANRHFSA-N 425.533 1.460 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722453942 DYHHTQOPUGTXQR-UHFFFAOYSA-N 429.546 1.791 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1722622733 SABFIJWIERJYJF-KRWDZBQOSA-N 442.630 1.792 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1 1722656814 JNOXQEZPXZUDHZ-FQEVSTJZSA-N 436.516 1.705 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)C1 1722710228 FSICHYSUYKAJIX-TXUMCGTDSA-N 447.627 1.217 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1723604410 PTAFKRJIBKAKDX-XSAFGROZSA-N 441.536 1.712 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1729560062 HIJVDNBBOLFKLO-GOSISDBHSA-N 433.534 1.493 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1730690261 ZKRDQEFKKCUZCH-NRFANRHFSA-N 439.564 1.306 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1730997768 FOYUIBCXJRFXEY-HOTGVXAUSA-N 437.472 1.864 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740571152 KWQJTLFCLLALLS-KRWDZBQOSA-N 436.582 1.283 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1740600065 IKHCUWAKTGBKMI-KRWDZBQOSA-N 427.505 1.745 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1740626479 VCTGRAFIBKQIEO-IBGZPJMESA-N 445.589 1.953 30 10 IDEE C=C(C)COCCn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740794009 YJVATCRIOGXHDX-UHFFFAOYSA-N 432.569 1.374 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740794872 JHMBIYNOFYYTEI-SJORKVTESA-N 427.571 1.140 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CCC(C)(C)O 1743232853 IGWVIAYGUTZOBR-DLBZAZTESA-N 440.552 1.710 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)CCOC1 1746734903 OHSZPHCDRHCNFS-WAOWUJCRSA-N 435.525 1.245 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCn2cnnn2)c1 1748693056 WVHGQJYXBANQNC-GOSISDBHSA-N 449.519 1.305 30 10 IDEE C#CCCCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748726550 GIVHYGOCXHVDCU-SIKLNZKXSA-N 448.589 1.749 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@H]2CCC(=O)N2)n1 1748970924 XOGBTYJHWURGAF-QGZVFWFLSA-N 434.504 1.101 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1748973031 VLGCFYSEEPUAGN-UHFFFAOYSA-N 436.608 1.742 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749042941 BMFWJKCLCUNCKT-KRWDZBQOSA-N 427.530 1.907 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1749060930 FGOOCHPQXMZLQB-OAQYLSRUSA-N 427.530 1.870 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1749268607 DEMYEZPXAZIMTE-HUUCEWRRSA-N 433.962 1.225 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1749489654 ZCPREXFNVUJWOS-IAGOWNOFSA-N 449.581 1.316 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1749717932 RGRCWKRHDSCJIR-SFHVURJKSA-N 431.562 1.968 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1750056704 HILCEUWLVJIKFV-FQEVSTJZSA-N 436.520 1.820 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760136712 BFHKJKQOQJIHHZ-SFHVURJKSA-N 433.578 1.432 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760143440 GRIQTAXIQRCFOE-ZCNNSNEGSA-N 428.537 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(CC)CCC)CC1 1760268947 RZSMFKYHIQIBDK-UHFFFAOYSA-N 426.569 1.376 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1760412747 QJKMOGUWXJEOTA-JKSUJKDBSA-N 427.571 1.438 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760436179 KVJWKXOZXOYPPE-YLJYHZDGSA-N 426.569 1.634 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1760456181 IOEYLBBEDLQMKC-LLVKDONJSA-N 433.460 1.562 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1760513570 KGGNIHOOKANAKI-UHFFFAOYSA-N 443.596 1.500 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](COC)C1 1760516311 LESOEESQABFQDA-QAPCUYQASA-N 433.484 1.711 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(C)C)C1 1760521899 HDFLASBAIRKEMJ-MOPGFXCFSA-N 427.505 1.954 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCC2)C1 1760535559 SWEUEPFLNYGEDU-IRXDYDNUSA-N 440.614 1.544 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1760847540 WAEFHVIVAFHUBQ-JXFKEZNVSA-N 436.582 1.473 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1761041953 LJXCNXBEGDOVKS-INIZCTEOSA-N 429.525 1.460 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCN1CCOCC1 1762611675 QGYLNFACDCHACJ-QGZVFWFLSA-N 425.541 1.076 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccc(C#N)o1 1764168774 GWUCUOWBHPYZSW-UHFFFAOYSA-N 429.481 1.598 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1765351357 CEPJHHPHBFMECP-LSDHHAIUSA-N 442.549 1.734 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1767546539 FTQVLRKVODKWOK-UHFFFAOYSA-N 447.547 1.649 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1770316116 GUIYTOYCHBERIJ-INIZCTEOSA-N 449.558 1.017 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCCCC2)CCO1 1770747967 UZTHSXYJVILVDY-GOSISDBHSA-N 439.476 1.985 30 10 IDEE Cc1ccc(-c2noc(C3=NN(CC(=O)NCC#Cc4cnn(C)c4)C(=O)CC3)n2)cc1 1850796965 NVLPNJFCPLAQLG-UHFFFAOYSA-N 431.456 1.273 30 10 IDEE CC(=O)N1CCN(CC(=O)Nc2ncc(C#N)c(-c3ccc(Br)cc3)n2)CC1 1851362157 MSJMTFWMXJZYJC-UHFFFAOYSA-N 443.305 1.880 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@H]2COc3ccccc32)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854627802 VDXUUZCHWOXQGY-KDOFPFPSSA-N 425.466 1.482 30 10 IDEE N#Cc1cccnc1C1CCN([C@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)CC1 1854999524 PJLOPKFMJGFUKN-MSOLQXFVSA-N 430.530 1.085 30 10 IDEE CN(CC(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O)c1nc2ccccc2s1 1855003913 XVQBQIBMRAPTCX-INIZCTEOSA-N 426.546 1.391 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@@H]2CCCCO2)CC1 1855838252 SARFRFCJTAOIJH-KRWDZBQOSA-N 431.514 1.986 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(C[C@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1856476281 LCSYCAGLDPCKQE-HZPDHXFCSA-N 437.949 1.904 30 10 IDEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1cc(=O)c2cc(I)ccc2[nH]1 1866530252 PAFPXVJOSMAWSW-SECBINFHSA-N 439.209 1.962 30 10 IDEE CN(CCC#N)C(=O)COC(=O)C=Cc1ccc(S(=O)(=O)NCc2ccco2)cc1 2042440777 DUGOOPKJYRSYQX-UHFFFAOYSA-N 431.470 1.687 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCOC1 2124542742 IWSWLRIDQGMJJA-UKRRQHHQSA-N 448.329 1.644 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2250110354 CYDWSEXMHCELMN-UHFFFAOYSA-N 437.537 1.733 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H](C)OC2(CN(C(=O)OC(C)(C)C)C2)C1 2250825942 HWUJZHNBVUAQPS-GFCCVEGCSA-N 425.345 1.935 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255545946 YDRFIEBGSDZFEH-HNNXBMFYSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)(C(N)=O)C1 2255612741 VIIBKHWHCAKAJV-HDJSIYSDSA-N 437.346 1.697 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619406 OXJYAXBPXNBRTO-QWRGUYRKSA-N 430.236 1.381 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255622719 DIQGDYZDCLPMLE-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2255630076 FJEMJFOITRKJRZ-UONOGXRCSA-N 434.346 1.942 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255657980 XBSSDGRXZSFEGG-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255698938 UHJQHJCDWMJJJD-AWEZNQCLSA-N 435.330 1.338 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699745 ROHLRQJZYARJAP-QGZVFWFLSA-N 427.310 1.426 30 10 IDEE CCN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2255820866 WHGBKRNMCTZJMG-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256018915 SZKAMSNYONPARQ-UONOGXRCSA-N 434.298 1.792 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2258236406 JYYUADAXODKLQY-UHFFFAOYSA-N 428.220 1.059 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CC(OCc4ccccc4)C3)C2)n1 2267115585 JTVIOZXSFNSOKI-UHFFFAOYSA-N 438.337 1.936 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267128395 QFQVIJGAXGXAIE-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)nc2)OC1(C)C 2267169703 ZYCRUNNDLPKTOY-LBPRGKRZSA-N 442.247 1.307 30 10 IDEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2267266433 PMJUNGCNZBJATO-IAGOWNOFSA-N 447.341 1.745 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2267270175 JUGUIRRCVQLBDH-HDICACEKSA-N 437.353 1.318 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267504027 MHAFFWYUQKULQS-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267538327 UDXISNBQUTUUKT-CABCVRRESA-N 448.329 1.140 30 10 IDEE C[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267543365 FIGIIZXBJQLSSE-UONOGXRCSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO[C@H]2C1 2267561388 OQUWXVKFTORJNE-XIRDDKMYSA-N 447.341 1.678 30 10 IDEE CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267603996 CFYXVQIFCLCCAW-SFHVURJKSA-N 439.369 1.851 30 10 IDEE C#Cc1cccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 2286044409 ZAJOXIZZLZTBSC-LJQANCHMSA-N 430.482 1.555 30 10 IDEE Cc1cc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320561658 OAQLPPFUOVUXHJ-QGZVFWFLSA-N 434.342 1.796 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2334264313 ZXDXSHRGSVCBMH-BPUTZDHNSA-N 444.341 1.761 30 10 IDEE COc1[nH]c(=NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)ccc1B1OC(C)(C)C(C)(C)O1 2339788870 WPCNSPGHNFYICE-JOCHJYFZSA-N 449.357 1.907 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 22065477 IROXOIOHIDIVIP-UHFFFAOYSA-N 430.940 1.443 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 105838664 DWJQMPIPQFFYMS-LJQANCHMSA-N 425.514 1.455 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 429168737 QLQBAIPHJAURQE-OFNKIYASSA-N 432.540 1.529 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)CC1 441219293 WUSVGLBMAGDGEM-PMACEKPBSA-N 446.573 1.140 30 10 IDEE CC[C@H](CO)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 464768643 IDLILXMSLBKHAQ-RTBURBONSA-N 443.592 1.745 30 10 IDEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 470746173 SCZYCXASXJZTFI-FQEVSTJZSA-N 433.493 1.645 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(I)ccc2C)CC1 477496415 XAGDUEICMTWHSW-UHFFFAOYSA-N 427.286 1.660 30 10 IDEE CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489022371 WDTJUUSWWPQJTR-UHFFFAOYSA-N 448.570 1.909 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 502711334 JBLJPMOQXUJEKI-JOCHJYFZSA-N 429.473 1.961 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2cc(OC)ncn2)CC1 508460468 CUBYHKPBZYKGBV-UHFFFAOYSA-N 445.487 1.905 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@@H]1CCCO1 514646167 SHRQTSSOLOMDOV-SFHVURJKSA-N 441.553 1.053 30 10 IDEE Cc1c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cnc2c1c(=O)n(C)c(=O)n2C 542013701 WZBFODWRHISDPT-UHFFFAOYSA-N 449.858 1.904 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1=O 543047510 UJOIHUUOBCNBJO-CQSZACIVSA-N 441.435 1.780 30 10 IDEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555272626 QNNUTHZPKHXAKF-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3nc(C(F)(F)F)cs3)CC2)c1C#N 567599342 VYIQRPFJTXMWSW-UHFFFAOYSA-N 427.412 1.363 30 10 IDEE Cn1c(=O)c2c(nc(NN=C(C(=O)O)c3ccccc3)n2CCc2ccccc2)n(C)c1=O 606351550 ILEOUCYZPIADSD-UHFFFAOYSA-N 446.467 1.577 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@@H]1CCCO1 618638112 YZXKAGHIVGAIHC-IBGZPJMESA-N 448.548 1.665 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4ccc(C(N)=O)cc4)CC3)cc2C1=O 642561063 KKQXPKAGOHTYSG-UHFFFAOYSA-N 432.480 1.526 30 10 IDEE C#CCN(C(=O)CSc1nnc(C)n1-c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 729331450 NHVDQQKKFKZOKX-MRXNPFEDSA-N 434.543 1.325 30 10 IDEE C#CCN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 729335665 TVIPFTIOHQTWSM-KGLIPLIRSA-N 429.325 1.995 30 10 IDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 732648407 ULTHNCWOSZKZKK-YJBOKZPZSA-N 447.517 1.194 30 10 IDEE N#C[C@H]1CN(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CCN1C1CC1 732696753 OPJNDVBOXYXZNX-FQEVSTJZSA-N 440.548 1.564 30 10 IDEE CCCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccoc2)c1=O 732795820 ZYCPCBUWNMKDQV-UHFFFAOYSA-N 425.432 1.969 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N(CC(F)(F)F)C3CC3)n(C)c2=O)cn1 735069252 QNGLJUUXBBLIOX-UHFFFAOYSA-N 439.463 1.110 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CCN1C1CC1 737200145 YFXXMKREOFPDIE-RTBURBONSA-N 440.504 1.124 30 10 IDEE CO[C@H](C)c1nc(C)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)s1 750450212 YQIIXXGFMXFVAH-GFCCVEGCSA-N 433.490 1.833 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)NC1(C#N)CCCCC1 755187072 QOGQRUIDHXZSGS-OAHLLOKOSA-N 436.509 1.388 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781648367 GEIITHKNDIJFSC-UHFFFAOYSA-N 426.542 1.392 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 811830335 KBQYOLLALNGYIW-HXUWFJFHSA-N 426.494 1.949 30 10 IDEE C[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 858004898 RQJOXMRJADDWJY-XTXQVDMPSA-N 428.420 1.115 30 10 IDEE N#Cc1cccc2[nH]cc(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)c12 1136245039 YZGMBRRGMDJYKJ-UHFFFAOYSA-N 438.513 1.316 30 10 IDEE CCOCCOC[C@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1139766725 RAQJZNASEBPSDI-CXIVCQEWSA-N 425.526 1.303 30 10 IDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1144923170 OJAIMGATSMDNKH-KRWDZBQOSA-N 436.530 1.139 30 10 IDEE C#CCN1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1147283711 PRGZXWDUOIYQSG-UHFFFAOYSA-N 428.352 1.237 30 10 IDEE C[C@]1(C#N)CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCO1 1179394020 QINKRWXMZUWAQW-AWEZNQCLSA-N 425.816 1.778 30 10 IDEE Cc1cc(C)cc(OCCN(C)C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 1189391707 HGUCQEOHLMRKQQ-UHFFFAOYSA-N 438.528 1.706 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 1211877709 CEBSJZKTOWHTBZ-YESZJQIVSA-N 428.555 1.425 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C(C)(C)C1 1251290963 FLWPTTNUONHPJI-NJSLBKSFSA-N 426.539 1.212 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1286315886 DMIMQSMNPQEQKC-UHFFFAOYSA-N 444.561 1.614 30 10 IDEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1 1286334111 RQTJAVYGOFIPAZ-UHFFFAOYSA-N 435.576 1.383 30 10 IDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286343682 LVSQHCXPOKFERU-LJQANCHMSA-N 446.577 1.630 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286387048 NCOKNDNGOXUMQT-SJLPKXTDSA-N 430.578 1.393 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286392106 HVJFCZSOTORMIR-QGZVFWFLSA-N 431.562 1.945 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1286439956 YVVLHEKREOZRNH-UHFFFAOYSA-N 431.500 1.667 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)CC1 1286551891 NVSSAPCBTWRFRZ-SJLPKXTDSA-N 435.550 1.909 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286784454 HYKUYQQLKNYQNX-UHFFFAOYSA-N 428.500 1.841 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1286792277 SWEVYKNWRMPMFG-GOSISDBHSA-N 440.548 1.833 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286823398 MVOQXGGITBUHFW-MJGOQNOKSA-N 448.593 1.744 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC(=O)Nc2ccc3nc(O)[nH]c3c2)CC1 1290712487 QDKGTTUIYKKSTF-UHFFFAOYSA-N 441.488 1.974 30 10 IDEE Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290895944 RFUHQXCOPAMFDC-ISLYRVAYSA-N 448.549 1.051 30 10 IDEE C[C@H](CC(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 1299186359 NCJOIAUFSNHUPE-ONUMYQOESA-N 449.554 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(NC(C)=O)nc1 1300287132 USWHKHXKPOGZRL-HNNXBMFYSA-N 442.487 1.780 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1 1300409664 JMFPTUZHXZZVIL-UHFFFAOYSA-N 429.550 1.100 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300495964 LVNXWJCROQCIRR-GUDVDZBRSA-N 436.578 1.758 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1300573189 DOKVGNRFAZULNI-AZUAARDMSA-N 438.532 1.865 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccnc1N1CCCC1 1300636079 YGUVJTNOSRCCJU-UHFFFAOYSA-N 427.530 1.817 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2COc3ccccc32)CC1 1300683535 PGIFFYYEIQEQOI-RTBURBONSA-N 425.533 1.934 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1300767816 GIEULIISXLHJIS-UHFFFAOYSA-N 440.573 1.763 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)C1 1300872732 GXCPLNPHGUFVPO-CRAIPNDOSA-N 425.493 1.185 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300891751 MOOIOPFNTFCXKY-NSHGMRRFSA-N 437.610 1.977 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1301002958 BIOUIPYEWLMFMY-WBVHZDCISA-N 432.550 1.303 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1301251402 CONKTVKCMDRHDW-HNNXBMFYSA-N 437.504 1.888 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1301379512 MZEFUMAZVDOLGV-UHFFFAOYSA-N 433.534 1.786 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1301520355 FCENDKOCWOTQJU-MRXNPFEDSA-N 431.928 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301589147 OENAMWKBMNVPHU-SJORKVTESA-N 434.566 1.500 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1cccc(CC#N)n1 1303020499 PPGSPRBJSGHZFP-MRXNPFEDSA-N 430.486 1.328 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1OCC[C@H]1C 1303812525 ZLBKPDNIFOZDGV-RVKKMQEKSA-N 432.550 1.821 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1305328106 CUQRABIIFCWXLA-YOKWENHESA-N 439.520 1.561 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCn2cc(-c3ccccc3)nn2)s1 1305812075 SZDBQBLXJRBILP-UHFFFAOYSA-N 431.543 1.830 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1309760860 KBJUCPAEZJIDTB-KGLIPLIRSA-N 440.946 1.616 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1312946132 MGBRNJWTAXOJLG-DEOSSOPVSA-N 441.576 1.438 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1313557844 KQQWMMYBSZVUCK-UHFFFAOYSA-N 447.499 1.870 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1314483641 LHHFRUKBQSAYKA-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1325205156 IVRSYLGILDXWAY-MRXNPFEDSA-N 446.577 1.829 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1358939225 SHEDHMOMLQSNHB-OAHLLOKOSA-N 436.509 1.566 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1358970298 LCZZBRVGKOFZAY-JOCHJYFZSA-N 442.541 1.477 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC1(C(N)=O)CCOCC1 1359025782 YPRBDZPRGYDQSD-UHFFFAOYSA-N 425.533 1.545 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(OC)CCOC2)CC1 1359039488 LFVRYNSSHVUUDM-QHCPKHFHSA-N 441.532 1.426 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N(CC)CC)CC1 1359043164 JKMRZEZIGUBXEY-SFHVURJKSA-N 425.581 1.980 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359057426 ZDLPDLOQNPCRDR-QGZVFWFLSA-N 441.623 1.304 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359147432 GNUVJSFSNYLETK-UHFFFAOYSA-N 431.863 1.172 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359230112 GKTAUJXDXCPCEA-ZVVDCOBXSA-N 436.553 1.979 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2F)CC1 1359302565 LRTCXNLLEXFJNP-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(Cn2ccnn2)CC1 1359330378 PXWIWMJTGRZXBO-UHFFFAOYSA-N 442.549 1.449 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1440747640 PETODQNCPOQWNQ-ZBFHGGJFSA-N 431.493 1.754 30 10 IDEE C#C[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1452478662 YITRMCAKZPSXCR-WMLDXEAASA-N 446.978 1.293 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)ccc1F 1453161116 ABEIARNHYWNPJE-UHFFFAOYSA-N 448.398 1.951 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)c1 1473521357 GEZNIAPSLZDFSR-INIZCTEOSA-N 434.562 1.698 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1504955292 QTOGSDOLKQUEKR-NVXWUHKLSA-N 425.555 1.709 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)NC 1507523438 LUGZGIVBRPMFOS-HNNXBMFYSA-N 435.550 1.748 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507574355 NBGWAAVJTCUZJL-HNNXBMFYSA-N 440.570 1.359 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507577557 RFBXMCZMUMUPGL-INIZCTEOSA-N 444.561 1.276 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507634589 ZOECXINJGOTASK-ZWKOTPCHSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)F 1507671563 LEQAUPNAROCFNO-UHFFFAOYSA-N 425.443 1.361 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1c(C)nc2ccccc21 1507701733 AHQKJHWQBONVNN-UHFFFAOYSA-N 435.532 1.958 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1507732142 CIDOOFMMYJHRCK-OAQYLSRUSA-N 436.560 1.829 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1507747334 JBXIDQSIHYAXSO-OAHLLOKOSA-N 429.546 1.996 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508073037 LUPABBXSVNRIFN-MRXNPFEDSA-N 427.465 1.260 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1508076428 DTIQAZUTUWPAGR-GOSISDBHSA-N 440.548 1.496 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)[C@H]1CC 1508077033 JPVUVQCUGYVCSC-OAHLLOKOSA-N 447.337 1.725 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508088352 RRWPYVOVZDRHIU-KRWDZBQOSA-N 425.537 1.692 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1508112489 PPWWWKYRKLHPLJ-IERDGZPVSA-N 448.545 1.285 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1512389885 HRLDDFYVPDSIAZ-KRWDZBQOSA-N 448.531 1.762 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)c1 1516183303 DCNMMQPCYOIRTJ-AEPTXUNZSA-N 440.525 1.896 30 10 IDEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 1522839229 LTXNCAICROIBIQ-UHFFFAOYSA-N 434.518 1.176 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539142812 VMBFQYIECQVRKH-PMPSAXMXSA-N 443.470 1.920 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1539343313 JFOABBWSJQXBKU-GFCCVEGCSA-N 441.355 1.554 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCN(C)C1 1539401297 ZKRZTYBWHOHCTI-HXUWFJFHSA-N 448.365 1.860 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1539517112 IQOVUTATJHHPCW-HOTGVXAUSA-N 427.596 1.214 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1540167694 CRJWAHOUXUEQRS-KRWDZBQOSA-N 430.534 1.298 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)N(C)C)C1 1540887147 QRZFLBDFSHBKLV-SFHVURJKSA-N 435.550 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1540898433 KCKIBUBMXUFIIK-INIZCTEOSA-N 427.571 1.928 30 10 IDEE CC(C)C(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1541278654 RBRMFBSOQFHVDP-GOSISDBHSA-N 436.520 1.408 30 10 IDEE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978605 TYJJUZFMELGEFO-DPPKGPFUSA-N 428.489 1.970 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCC1CC1 1545545961 HUSVESDQEZQPOQ-HOTGVXAUSA-N 437.552 1.695 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cc1 1554849597 CMZXUOXSFKEKJZ-LJQANCHMSA-N 434.497 1.431 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)CC1 1555812656 GMZLUPVNZWWATQ-KRWDZBQOSA-N 444.561 1.761 30 10 IDEE C=CCn1cc(CNS(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)nn1 1561675701 SYAPWHGGGUAZRW-HSZRJFAPSA-N 434.341 1.718 30 10 IDEE CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H]1CCN(O)C1=O 1569561873 YAYAISRLRIWITG-KBPBESRZSA-N 427.299 1.523 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 1584489396 SBUMSYBLBZPZQE-HXUWFJFHSA-N 442.560 1.754 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](Nc4ncccn4)C3)CC2)cc1 1584741560 WSPJDKNDLIRYMJ-SFHVURJKSA-N 440.529 1.462 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1585910549 DMLIOIPJLVMYMM-UHFFFAOYSA-N 446.551 1.726 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1587879339 RMEAPYUMUYBAIT-UHFFFAOYSA-N 427.553 1.540 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1588003715 LECVCMNZIWWTTJ-UHFFFAOYSA-N 426.494 1.380 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1588049670 KSCSXCVWYBFLBP-HNNXBMFYSA-N 443.920 1.459 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588070062 VPXIAQUZJTWACQ-RTBURBONSA-N 444.561 1.112 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccccc1F 1588171205 WTUNXRRPTBBDQO-PXNSSMCTSA-N 439.491 1.644 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1588387451 TYPYWEMWSIANKM-MRXNPFEDSA-N 427.596 1.010 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1588638069 OCLSSIBFUBNVMI-GOSISDBHSA-N 438.488 1.320 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1595115912 NPALXSGONIWXNL-GOSISDBHSA-N 431.562 1.899 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(OCC(N)=O)CC1 1595496969 MIBLNXGNMBHOLQ-UHFFFAOYSA-N 438.488 1.464 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595544043 FKOSHEBUMCLQHV-AWEZNQCLSA-N 429.443 1.822 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1595844872 IYOXSWNESBHEKB-GDBMZVCRSA-N 441.579 1.978 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1596848874 DCPRBSLHSPWLLD-QKKBWIMNSA-N 441.561 1.876 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1617047070 IPSRDBRPHSLESI-MOPGFXCFSA-N 437.585 1.486 30 10 IDEE Cc1csc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1I 1617487249 MJQBKYHNCNVUGJ-ZANVPECISA-N 436.296 1.672 30 10 IDEE O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1617734372 WPGAIYKKBXFSDL-MAUMQABQSA-N 446.266 1.933 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCOC(F)F)cn1 1618397745 SQDIQVOXYQPVOF-UHFFFAOYSA-N 443.462 1.901 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1619452883 GPPBEPZFGOGAFJ-ROUUACIJSA-N 442.520 1.315 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1619877325 BWNRVYUHZUGJTI-VQTJNVASSA-N 437.548 1.642 30 10 IDEE CC(C)(C)OC(=O)N1CCCc2cc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)ccc21 1622181887 HQHUMMKZUMPHSW-QGZVFWFLSA-N 436.534 1.933 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(Br)cc3-n3cncn3)C[C@H]1CS(=O)(=O)C2 1626656187 SZLQORLFRVBQGJ-ZBEGNZNMSA-N 436.291 1.040 30 10 IDEE CCOCCCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1627193220 GMPGLMTVCFEIPY-UHFFFAOYSA-N 439.509 1.518 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)c(=O)nc1O 1631865994 FRVSNEYHEUUKQK-ZDUSSCGKSA-N 447.293 1.161 30 10 IDEE CN(C)CC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1635353448 MEUIVAFNFQPHKE-GOSISDBHSA-N 429.546 1.710 30 10 IDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1=O 1635415479 HXXLYYASPKRDCN-MBSDFSHPSA-N 432.484 1.823 30 10 IDEE C[C@@H](CC(=O)NCC1(C)CCC2(CC1)OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 1636622725 STRODJRTFJEZBO-HNNXBMFYSA-N 435.546 1.943 30 10 IDEE C=C(C)CONC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1640652750 KKSLHEYNNOKZKS-UHFFFAOYSA-N 437.287 1.847 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC[C@H]2CCCC[C@@H]21 1641970554 NBORMIPMMHGUQE-PVAVHDDUSA-N 445.520 1.895 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@H]1CC1CCCCC1 1643028611 HQMMBMFIWOQJTB-HNAYVOBHSA-N 432.546 1.522 30 10 IDEE COC(=O)[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 1644069869 KUWQPIKMJNLYRW-RXVVDRJESA-N 431.493 1.265 30 10 IDEE N#C[C@@]12CN(C[C@]3(O)CCCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1648415218 FPTHAWUPQYAJPD-SESVDKBCSA-N 433.530 1.020 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](NC3CCOCC3)C2)s1 1651150248 HQMAEXZOEICBQX-INIZCTEOSA-N 427.592 1.515 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(Cc4nn[nH]n4)CC3)C2)C1 1651238542 HXVMNSQFXCNFJM-TZQQIIETSA-N 429.525 1.768 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)C2 1653211151 QPDXPHVNUHGUJY-UHFFFAOYSA-N 433.511 1.722 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 1665457228 KJIKWDVTMWCMRG-GOSISDBHSA-N 439.603 1.627 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1687190239 MGVKKPADSAHABV-XLPNERPQSA-N 426.539 1.402 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1689853177 PYHZOGHNQREJJV-APWZRJJASA-N 447.561 1.320 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1690048782 OCKNUTOSNYBLTM-KRWDZBQOSA-N 431.537 1.820 30 10 IDEE C#CCSCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690185783 GYZHRDBRBVSSJS-DENIHFKCSA-N 449.621 1.455 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690239583 YNINJXLTHSMTSU-WPVAHCMFSA-N 447.580 1.946 30 10 IDEE Cc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1693266275 BSOWRKRATBEBPR-IEBWSBKVSA-N 446.577 1.901 30 10 IDEE CCN(C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1695580453 CTDDEOPGHAVZBL-UHFFFAOYSA-N 432.550 1.994 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CN(CC(C)C)CCO1 1698231429 XXWAFJWKCKAHTL-MUGJNUQGSA-N 434.585 1.955 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698486719 QDBBNTAESWKYRY-XDSRXIPYSA-N 436.451 1.232 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1698488592 GEIYVTKPHXELEZ-SFHVURJKSA-N 445.545 1.780 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1698492571 HXMGRCIFOSFEBZ-FQEVSTJZSA-N 447.499 1.518 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705523026 JCIHKTBHWSSEGF-FQEVSTJZSA-N 429.613 1.826 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1705563660 BTZFRSASODJDTK-SFHVURJKSA-N 433.578 1.973 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1705569379 GNERTQSHJFLXHS-GOSISDBHSA-N 435.594 1.554 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705612593 KHPXYAUQQDZISQ-KZNAEPCWSA-N 437.610 1.528 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1705859892 IFCTWWNZWKRILF-IBGZPJMESA-N 444.561 1.738 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705907268 GFIAADKLMOVRCZ-QGZVFWFLSA-N 444.540 1.157 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1709014408 HXUFWPPVXZIWMP-QGZVFWFLSA-N 432.488 1.898 30 10 IDEE CCCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1709657802 UYYMPYIGJGNNTM-QAPCUYQASA-N 439.520 1.875 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1710976309 PFECDORVUFYJDO-UHFFFAOYSA-N 432.550 1.556 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1712853438 CIIOOSBQWZNGGX-SBUREZEXSA-N 440.548 1.799 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCOCC(F)(F)C(F)F)CCO1 1712883993 DMIKNBZWIQGKSC-AWEZNQCLSA-N 428.390 1.910 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1722290496 MBJZXPZYNGEPJL-DLBZAZTESA-N 448.568 1.817 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722330863 YYMHLQUIQKFOIN-GOSISDBHSA-N 447.543 1.910 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1722332379 JRSDSRFEJRRHMN-IBGZPJMESA-N 445.545 1.293 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722372350 UZSJHPGOYFVNRY-GOSISDBHSA-N 427.530 1.076 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1CCN1CCCS1(=O)=O 1722416031 SLCYEZZAEYNCJZ-UHFFFAOYSA-N 431.562 1.915 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCS2)CC1 1722432696 YXBIFFOIUJBYQL-QGZVFWFLSA-N 425.562 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOCC(F)F)CC1 1722447328 HYNUGAJGZYFJIQ-KRWDZBQOSA-N 439.507 1.810 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722507897 QKJYEBTXPRWXRO-LZLYRXPVSA-N 449.581 1.130 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 1722545660 LWQLLXQFHWVCBI-UHFFFAOYSA-N 435.937 1.912 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OC)n2)CC1 1722559383 USSKGQYRHLRYIR-RDJZCZTQSA-N 449.943 1.880 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O)C1CC1 1722645548 QMCJETRMHZHVSZ-UHFFFAOYSA-N 439.563 1.053 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1722672626 VKRRQYXAEPHASN-IBGZPJMESA-N 443.573 1.961 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722700941 ZTVYWYKOSSBRPH-UHFFFAOYSA-N 435.488 1.122 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1740543045 HWYFRCZXAIGNOW-HOTGVXAUSA-N 425.489 1.627 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC[C@H]2COCCO2)c1 1740564096 ANROQELCOLGAPR-QUCCMNQESA-N 439.516 1.644 30 10 IDEE C#CCN(c1nnc(C)n1CCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1740617108 MCAXMGJMPRJFLD-HNNXBMFYSA-N 441.355 1.263 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740643576 KOAIGRYVSJFBDE-KRWDZBQOSA-N 440.891 1.572 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1740671698 MMKDPMMZAKPECG-HZPDHXFCSA-N 427.571 1.132 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1740708940 GKSMOAIJDNDEFY-CVEARBPZSA-N 429.612 1.508 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCC)CC1 1740757822 RTIYVJOUVLBUFS-GHTZIAJQSA-N 441.580 1.523 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1740899303 KQFQIDNTNBFVIS-PXNSSMCTSA-N 441.598 1.565 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1740932480 OXYCVOPUPRCSQG-MOPGFXCFSA-N 436.626 1.385 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1740953130 WOMRRAFCWCNBAL-OAHLLOKOSA-N 444.511 1.964 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C(N)=O)C1 1740953212 YRSWKXRWNQBIBI-GOSISDBHSA-N 447.543 1.966 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740985880 MURVAXDBPMODOA-CQSZACIVSA-N 430.534 1.927 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741472540 PIOATTJFRYKELJ-FMQUCBEESA-N 443.552 1.308 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1743030640 HWWLEJANZSJYAF-AVIJNYRZSA-N 438.532 1.982 30 10 IDEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 1748411563 ADHOSLKNMCEFPX-GOSISDBHSA-N 438.536 1.435 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC 1748664411 GIEZLLXWEIYABJ-AWEZNQCLSA-N 438.579 1.131 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748815355 PLQVTYCDXNROOG-KRWDZBQOSA-N 430.530 1.848 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1748817679 NZFBRTXXLOJTLJ-HXUWFJFHSA-N 443.573 1.352 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncccc1N(C)C 1748855765 KJWWVVWEDUOSGO-UHFFFAOYSA-N 433.541 1.852 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1748963064 XKFCNDWNZJQYPP-UGKGYDQZSA-N 449.621 1.466 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)CC=C)CC1 1748979877 QOWGZPBBCOFSOW-UHFFFAOYSA-N 444.517 1.209 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749369806 ZKRVNTFZDCOKOP-JKSUJKDBSA-N 432.504 1.007 30 10 IDEE C=CCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1749643510 RIZOCWSOPVAXTH-IBGZPJMESA-N 427.571 1.367 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749655477 LWPMTSURDQVOJH-KDURUIRLSA-N 437.504 1.487 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)OC)CC1 1749660816 UHPDBDBWBJNFNQ-UHFFFAOYSA-N 427.461 1.365 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C(N)=O)C1 1749726732 CGKBRXUYGOWIOX-GFCCVEGCSA-N 441.916 1.650 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCn1cncn1 1749806208 HQJGXANESPJWND-HXUWFJFHSA-N 436.520 1.988 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCOC1 1760101803 VJPAKOTZTBMCSP-VLIAUNLRSA-N 432.550 1.156 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1760165501 UXAKZILKCYVVLT-QHCPKHFHSA-N 425.533 1.990 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1760185105 PRJOFZHXEPGPEY-QGZVFWFLSA-N 446.529 1.727 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(C)C)nc1 1760243725 QTXRXLDCKULMSN-UHFFFAOYSA-N 426.521 1.831 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1760259315 KFVSZSDWEQLBPV-FCHUYYIVSA-N 444.624 1.674 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760333299 CSNOZGPJEFDNIH-KONPQCLYSA-N 437.566 1.224 30 10 IDEE CCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1763713308 LUSCYDCRGGXKBV-OAQYLSRUSA-N 427.509 1.502 30 10 IDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1765044408 GVVYPUAAHAOIMH-YUMLTWSLSA-N 441.536 1.665 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1767859309 GYDUOBDVGPNHTQ-AWEZNQCLSA-N 435.444 1.828 30 10 IDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1768880374 PRSYOBUXSLTGTN-UHFFFAOYSA-N 426.521 1.698 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1769721395 DNTIWORXGJCUJO-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1770137860 IAWIGMUWUVKLOW-QGZVFWFLSA-N 426.521 1.927 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1770805477 YDGPOTQONVDNLC-YQQAZPJKSA-N 430.488 1.491 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC=CCC2)C1 1771362347 YVYOFPNJKCFEDC-GJYPPUQNSA-N 438.529 1.409 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC2CCS(=O)(=O)CC2)c1 1771531145 DBUBTJMCJHLPKX-GOSISDBHSA-N 442.545 1.343 30 10 IDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccnc1 1854358616 UFVXJVRBQZUMRQ-UHFFFAOYSA-N 426.498 1.724 30 10 IDEE CC(C)N(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1856648819 OJVAGDPTHHGBFT-UXHICEINSA-N 431.558 1.763 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@@H]2CCOC2)CC1 1857373779 QVAPKKUJVKBGJR-INIZCTEOSA-N 431.514 1.843 30 10 IDEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 1858111654 UPXJTFRUPOJKMF-OAHLLOKOSA-N 430.486 1.514 30 10 IDEE C=CCOc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 1873787441 KMDOBTAUYLFCEU-UHFFFAOYSA-N 434.518 1.503 30 10 IDEE C=CCNC(=O)c1nc(C(=O)NCCN=c2nc(N3CCCCC3)cc(C)[nH]2)cs1 1890500574 QVDLRMLXYZEXJV-UHFFFAOYSA-N 429.550 1.411 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc4c(c3)OCO4)CC2)CC1 1891046451 AWQIMJXUOXSCHK-UHFFFAOYSA-N 443.544 1.443 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc21 1891899138 JAFZFHDEEVXVRZ-CQSZACIVSA-N 428.532 1.553 30 10 IDEE N#Cc1cc(Br)ccc1CN1C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C1 2174571189 POIHZFISUAGDTC-WCQYABFASA-N 433.228 1.675 30 10 IDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2243423141 SSXBBQQFRNQNEG-UHFFFAOYSA-N 425.316 1.723 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674256 GZPHKBSTTOEKRM-JQWIXIFHSA-N 427.332 1.655 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243686037 GONVBIBLFQDENU-LLVKDONJSA-N 427.332 1.514 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2255523664 JHNOKZMBAXISCD-CYBMUJFWSA-N 438.305 1.740 30 10 IDEE C[C@@H](N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2255621693 PZOFCHJJQDQJJM-OAHLLOKOSA-N 428.342 1.916 30 10 IDEE CCn1cc(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255656034 VDHLOINMPZQJHS-KBPBESRZSA-N 434.346 1.845 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255695698 JHVCEXQTPXTSOH-ZIAGYGMSSA-N 432.330 1.666 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCO1 2255815271 LKXFKEBYVWBRAU-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255861605 CUFVWXWFYOJDND-CJNGLKHVSA-N 435.330 1.272 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256619458 YWAHUEAJLXSVHJ-RISCZKNCSA-N 439.293 1.733 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256875222 OCHYIKGPJZCLBH-OAHLLOKOSA-N 429.282 1.499 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2259927281 WOPIUNREDWNMJS-LRTDBIEQSA-N 432.330 1.696 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267266962 SXDNKTBYZGQNCH-UONOGXRCSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2267547947 CMLJMYPHYZKQTI-NRFANRHFSA-N 448.329 1.189 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 2267597344 PJPAJEWJYJKYSR-OAQYLSRUSA-N 449.361 1.491 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(CNC(=O)OC(C)(C)C)COC1 2267601665 ZJXQDNAOPTXZHS-UHFFFAOYSA-N 449.357 1.595 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2267607662 AMVRLUWFMMVPTR-FRFSOERESA-N 444.341 1.904 30 10 IDEE O=c1c(Br)c(NN=Cc2ccc(O)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659688 RPGXXVNFALYVPI-LLVKDONJSA-N 427.280 1.517 30 10 IDEE COc1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90729992 JESKDRDNSNMCMX-UHFFFAOYSA-N 444.509 1.528 30 10 IDEE COc1cccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN2CCOCC2)c1 102749540 OALJAVUHIFCABT-GOBJLOIFSA-N 440.500 1.789 30 10 IDEE COc1cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc(Br)c1OC 169883665 HZWIJSNVVOKDAY-IDUWFGFVSA-N 443.279 1.606 30 10 IDEE COCc1nnc(CSc2nnc(N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)o1 253561113 BRQMELUAEKOCKB-PJQLUOCWSA-N 435.382 1.889 30 10 IDEE COc1ccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 254346382 GKSYOPDGVJHWHC-BXUZGUMPSA-N 428.488 1.170 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(C(N)=O)c(OC(C)C)c3)CC2)c1C#N 433698882 IXOLFNDVSOYDCE-UHFFFAOYSA-N 425.493 1.840 30 10 IDEE COC(=O)c1cn(C2CN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2)nn1 466893851 KZMSTYTUZBMOGU-UHFFFAOYSA-N 426.824 1.864 30 10 IDEE COc1ccsc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 471709773 TZMZLWOCPQZTNA-UHFFFAOYSA-N 427.529 1.324 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)c1C#N 472989519 MALZCNMRTULXFC-OAHLLOKOSA-N 428.443 1.580 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 480754707 FAIXHKDLWGHQLO-LJQANCHMSA-N 431.489 1.821 30 10 IDEE COCCc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 489348685 MZMHLJCCEZVKQB-UHFFFAOYSA-N 431.518 1.520 30 10 IDEE C[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)ON1C(=O)CCC1=O 504743476 BCVGOHHCANHHST-XIWSCHCOSA-N 431.470 1.147 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508882710 ZRMNLASOABIHPO-UHFFFAOYSA-N 442.520 1.322 30 10 IDEE CCOC(=O)c1ccc(C#N)c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1 514931075 AGSWNXJXNIMQAF-HNNXBMFYSA-N 439.559 1.894 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 516248512 QJSKIFXSLYQNAW-QGZVFWFLSA-N 449.349 1.248 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCc1cccnc1 524106472 PAKOJKJVBKNZGS-UHFFFAOYSA-N 448.548 1.422 30 10 IDEE CCOc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OCC 544923603 NPLAOKHOQWUSPJ-UHFFFAOYSA-N 437.500 1.829 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552359669 MXWWYEOHPCOSAV-ZRNYENFQSA-N 443.475 1.865 30 10 IDEE CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2CC1 573941430 URUPSMCWWOAVGT-UHFFFAOYSA-N 436.497 1.887 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 604183630 NKNPUZMFPWYHRO-IBGZPJMESA-N 429.565 1.037 30 10 IDEE CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1 614902943 OEMQWKAMRAZYFM-GOSISDBHSA-N 439.537 1.775 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CC(=O)NC2=O)n(Cc2ccc(F)cc2)c1C 731913642 ZRHJDVJNWBALJD-UHFFFAOYSA-N 441.419 1.198 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CCN1C1CC1 732673787 FNFMRIJSHCRIMZ-WOJBJXKFSA-N 441.532 1.242 30 10 IDEE Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909482 BBLRCCVMLILREU-LBPRGKRZSA-N 425.532 1.621 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 746446966 OUGPZXDKMGUPEB-MRXNPFEDSA-N 428.436 1.982 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1cccc(C#N)c1 748216604 FADKZFICFAIDSV-UHFFFAOYSA-N 428.466 1.927 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H]1CCO[C@H]1C(=O)O 757479430 LDCGRPNTZLLXRA-IFMALSPDSA-N 434.448 1.887 30 10 IDEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)C(C)(C)O1 764986226 BQUPWGRJGSKBKI-MBSDFSHPSA-N 425.533 1.922 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)OCC[C@H]2C1 765262347 KTGGRYPENSQGPK-HNNXBMFYSA-N 434.518 1.339 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)c1cccc(Br)c1 771205568 SNSSULHDCZEAAB-CQSZACIVSA-N 438.303 1.337 30 10 IDEE C#CCN(C(=O)N[C@H](CC)[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 774240521 KEDRNXZKGUARHF-PWRODBHTSA-N 433.574 1.498 30 10 IDEE NC(=NOCC(=O)NCc1cnn(-c2ccccc2)c1)c1ccc(CN2CCOCC2)cc1 774821375 VYDXOXQJEKHMSX-UHFFFAOYSA-N 448.527 1.658 30 10 IDEE CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 776136488 AXYGYDOJLMQDGS-PHODEOQFSA-N 438.893 1.336 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 788818918 BVHHLEAEZBHKFC-CEXWTWQISA-N 446.573 1.398 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)n1 788858064 BDJUMYJVDHIIFA-UHFFFAOYSA-N 438.576 1.622 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 790834747 BMKOPOQJYBKEDF-DJWKRKHSSA-N 449.286 1.594 30 10 IDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 812131144 QMFLJMYTBPSKHT-FQEVSTJZSA-N 426.521 1.596 30 10 IDEE C#C[C@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812750825 FABJWHVZDYLJID-IBGZPJMESA-N 446.500 1.888 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N3CCCCC3)cc2C1=O 918812582 QCSAERUQBQKLOW-AWEZNQCLSA-N 427.457 1.143 30 10 IDEE NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2cccs2)CC1 1084484601 CZWYZJFSHKNPAY-UHFFFAOYSA-N 437.503 1.988 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)C[C@H]3C3CCC3)C2=O)cc1 1130015783 MPOCZMXEUHEYSO-MSOLQXFVSA-N 444.513 1.189 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)NCc2nc(C#N)cs2)ccc1Br 1134256438 SNPMWNUFABQLQA-UHFFFAOYSA-N 429.321 1.958 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2cccc(OC)c2OC)cc1OC 1144585151 JPGQJTDRAQKQFX-OAHLLOKOSA-N 449.485 1.380 30 10 IDEE CN(C)[C@@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C12CCC2 1149194114 IKOWHYWOOUAMAR-WOJBJXKFSA-N 430.574 1.948 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1159936789 VWZMPKMRUDMLFZ-ZBFHGGJFSA-N 431.493 1.459 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)c1C#N 1160493527 JLEGXITXUUVEAP-OAHLLOKOSA-N 432.278 1.916 30 10 IDEE COc1ccc([C@@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OC)c1 1176422342 LRPRLJVXAHHYMC-XERREHJYSA-N 433.530 1.237 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1179522175 SSBHDJNLIDEJDL-AWEZNQCLSA-N 443.481 1.433 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c2cc(Br)ccc12 1208449414 LDZGLMCPIUMFDV-GFCCVEGCSA-N 431.333 1.741 30 10 IDEE Cc1cc(S(=O)(=O)NCCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c(C)s1 1230590337 UULDDQQOWJLCJN-QGZVFWFLSA-N 436.559 1.890 30 10 IDEE C#C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)C1CCOCC1 1231333011 VVRCYWYZLUXPLX-IBGZPJMESA-N 448.545 1.123 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCC(=O)N(C)C)c1 1286309020 GCTOQFHHRTWSER-UHFFFAOYSA-N 431.500 1.875 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCS(=O)(=O)c1ccccc1 1286363727 XSOHULAZZZRKRV-OAQYLSRUSA-N 432.546 1.864 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)N(C)C 1286368018 UCVLKNSBPLCKIB-UHFFFAOYSA-N 435.550 1.702 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286393569 LNFXILYVHZGYKW-MOPGFXCFSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286407992 YFWXGXDCKUKUKU-FCHUYYIVSA-N 446.555 1.684 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)(C)O 1286462167 FAKDFICQSONQMV-UHFFFAOYSA-N 434.566 1.485 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1286466891 KZTZQRYZBXNNKK-DLBZAZTESA-N 435.550 1.162 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1286549608 YGAAKRYJLQJHFZ-ROUUACIJSA-N 444.580 1.846 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286690654 MYJATVRNZXNWRU-UHFFFAOYSA-N 443.596 1.501 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1286747864 NPUYTKAVZVKRCO-LJQANCHMSA-N 446.558 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1286815353 SDXWWYAAJOQXDJ-UHFFFAOYSA-N 444.561 1.186 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1 1286816219 GNZCNTILGDGTLI-INIZCTEOSA-N 428.522 1.374 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CC1CCC1 1286820612 OIRRFMWKCNAHAC-MRXNPFEDSA-N 430.596 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1C(C)(C)C 1286825729 WBRWJLPMIBNMAA-QGZVFWFLSA-N 425.599 1.477 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1287262801 YZEPXLQYCRYTFZ-NYAYQYMKSA-N 427.509 1.238 30 10 IDEE C=CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1293031939 AYZOEGLGROXEMM-LJQANCHMSA-N 437.562 1.483 30 10 IDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1296570933 PPUJLDOGSSQHER-HTAPYJJXSA-N 430.553 1.975 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1299456973 RTXMBTRLLHRHNG-LJQANCHMSA-N 438.488 1.962 30 10 IDEE CCOC(=O)C(C)(C)ONC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1300024772 ORJMYKNTBGMVJV-AWEZNQCLSA-N 425.507 1.529 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1300308927 RFOBQZSQDLBDGN-DLBZAZTESA-N 446.577 1.442 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1300631984 ZJTVBUXXZIUCOR-SFHVURJKSA-N 446.529 1.190 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCOC)CC1 1300688415 FBDRRISARPMXSA-UHFFFAOYSA-N 429.521 1.763 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300778429 VVFOZLRYTSLWMU-FHWLQOOXSA-N 435.594 1.673 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C(=O)OC)CC[C@H]3C(=O)OC)n[nH]2)c1C 1300922835 NCMJZIJCSFHPGE-YOEHRIQHSA-N 429.477 1.643 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1301424576 MNWYSJBBVACZOX-NQIIRXRSSA-N 437.610 1.629 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1301502868 RDQJWHXKIJOCBT-BGYRXZFFSA-N 431.629 1.774 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1F 1302862176 DDAAFGGUAASGOD-PBHICJAKSA-N 436.513 1.462 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CCO2)c1 1313273446 MSGNKWJJAGPIMO-FQEVSTJZSA-N 435.484 1.074 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1358872183 PZWNFNDHTYFDKC-GJZGRUSLSA-N 446.533 1.351 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C)s1 1358941367 HPENCJXJGXRIDG-UHFFFAOYSA-N 431.547 1.473 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1358949258 WXHLZMYHHGOZCE-MRXNPFEDSA-N 441.916 1.521 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1359039130 XWTXCZMTSMVLTA-QFIPXVFZSA-N 438.557 1.352 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1359132850 GWSNENGNZUGTKS-INIZCTEOSA-N 426.539 1.162 30 10 IDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1)c1ccccc1 1359138668 AFYMIBRFDRKZIN-MOPGFXCFSA-N 432.546 1.745 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1359216307 UCSCXJDWOVUEKK-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359222074 XFNDHIQMEBTBKH-SFHVURJKSA-N 432.569 1.800 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2conc2COC)C1 1359312360 SXQKRBXDHWTFLT-INIZCTEOSA-N 439.476 1.889 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C1 1359433403 IAXCXEOQICHKJU-LJQANCHMSA-N 437.548 1.941 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)nc2)s1 1440868486 QPHPONUIWSNSTK-UHFFFAOYSA-N 435.575 1.540 30 10 IDEE N#Cc1ccc(CC(=O)NC[C@@H](O)COc2ccc(I)cc2)cn1 1445804957 UAFUQOCDAPSLPZ-OAHLLOKOSA-N 437.237 1.656 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CC1 1455115476 PHJRGUXVILICNV-UHFFFAOYSA-N 441.485 1.390 30 10 IDEE C=CC[C@@H]1CCN1C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1456852627 KTQKYWRLBZLWKN-ZBFHGGJFSA-N 434.967 1.599 30 10 IDEE CC(C)NC(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1463711453 GRUKETZDWRFFEP-OTQYULQBSA-N 447.580 1.442 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 1469854385 GONSSQCPFGGBKX-OAQYLSRUSA-N 437.521 1.444 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)cc1 1472138827 REQGBZYJAICGLB-FQEVSTJZSA-N 446.550 1.600 30 10 IDEE CNC(=O)[C@@H]1Cc2ccccc2N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1473505582 DWZUCMQCWBVOIC-VXKWHMMOSA-N 435.503 1.712 30 10 IDEE CN(C)S(=O)(=O)c1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)ccc1F 1476577797 BPJKICATWQHZRF-UHFFFAOYSA-N 432.481 1.697 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1503563029 MIWCQBPOCPBUTN-UHFFFAOYSA-N 428.493 1.749 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507824492 AKNMLORCSWFVHA-MRXNPFEDSA-N 430.534 1.481 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507956860 HOFFCBSTPSIVGK-KRWDZBQOSA-N 431.541 1.147 30 10 IDEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1508149901 DZDKOVYVKNWKAX-UHFFFAOYSA-N 437.591 1.955 30 10 IDEE Cc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1511564240 HBSKFPVMVSCQBJ-QGZVFWFLSA-N 435.492 1.545 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3csc(I)n3)CC2)nc1 1517839487 ABNWEONDTLZXER-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CC(OCC)C1 1539023715 WMKTUCUIJGGVQZ-JVIIGWRGSA-N 438.576 1.992 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539230572 OIOHNOFYHBSFCA-ZWKOTPCHSA-N 432.546 1.827 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1539389832 DNJPYMLIELVWAK-UTKZUKDTSA-N 429.521 1.876 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1539453398 JUWFUKRSUZQKGY-IRLDBZIGSA-N 439.560 1.684 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N(C)C2CC2)CC1 1539481138 IJLRKDIRHLNPMU-FXAWDEMLSA-N 428.581 1.968 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1539512950 HFOGITFQNWFSEA-CVEARBPZSA-N 448.593 1.947 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539595818 GHHPQHPUKCWVSA-CYBMUJFWSA-N 448.387 1.551 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1539614504 ADEQHOYYRSRIMN-TWMKSMIVSA-N 427.571 1.485 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1540200824 ISBRHNVREXBTMW-SFHVURJKSA-N 447.561 1.826 30 10 IDEE COC(=O)[C@@H]1O[C@@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C[C@H]1C 1540832061 DZYRLULGQOLBLS-NXOUGTEYSA-N 429.452 1.481 30 10 IDEE CC(C)(CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)NS(C)(=O)=O 1542973386 LSQCUNFBVWKECK-BIWSTMPVSA-N 428.555 1.217 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1555700016 MTTYBFACUYESAE-NRFANRHFSA-N 440.548 1.781 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(-c3ccccn3)n2CCOCCCO)CC1 1555989892 ABCCRMOHTRKTNY-UHFFFAOYSA-N 433.516 1.937 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCCN(O)C1=O 1556782869 VODDBKZCQNADAR-LLVKDONJSA-N 429.804 1.134 30 10 IDEE C=C(C)C[C@H](NC(=O)CNC(=O)c1ccccc1I)C(=O)OC 1557938244 PFQSBYPVUNRJES-ZDUSSCGKSA-N 430.242 1.645 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 1563583951 NHAOZLXYJGZFNK-CQSZACIVSA-N 443.367 1.175 30 10 IDEE CC(C)(C)OC(=O)NOCCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564689006 BXHGZWNQEMIZHI-KRWDZBQOSA-N 431.493 1.805 30 10 IDEE C=CCNC(=O)CNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1565148484 ILLJUBOOGUJNJK-UHFFFAOYSA-N 443.508 1.393 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cnc(Br)cn3)C2=O)cc1 1568986172 VQZLFADQQIIWHZ-CQSZACIVSA-N 443.261 1.632 30 10 IDEE Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1586934875 CQEIXPDEWXLDIT-ZDUSSCGKSA-N 427.408 1.770 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1587638625 GCTRYQUXTORGEJ-KFWWJZLASA-N 425.555 1.551 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1587639464 LXUOMRPZPQBVHL-DLBZAZTESA-N 439.582 1.154 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCn2ccnc21 1588695155 DZZLLBCKPJPGDX-QYZOEREBSA-N 428.537 1.862 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3cccn3)c2)CC1 1588733771 ZZZLFWMCKVQYST-UHFFFAOYSA-N 446.559 1.465 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccccc2)CC1 1588923479 APFNFBGDNDQJJY-XMMPIXPASA-N 447.543 1.552 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1588947332 ODBDYCIAFDHJMN-UHFFFAOYSA-N 436.516 1.811 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cnn(C)c2C)CC1 1588954674 KKYQKZYXLODLCQ-UHFFFAOYSA-N 432.532 1.320 30 10 IDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1589043484 ZJJAQMGVJDYGAH-KRWDZBQOSA-N 442.520 1.923 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1595529757 GOKVJKVVYBXGRK-UHFFFAOYSA-N 442.549 1.280 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595805284 MSGQSFZSZXCMOP-HNNXBMFYSA-N 427.571 1.887 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NC)CC1 1595812266 QHZOFVKBTDBHEO-UHFFFAOYSA-N 437.591 1.494 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1618180416 HMGZLPJYQKMXKH-LJQANCHMSA-N 425.510 1.827 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1619834985 RLLMTWAFFXCPBL-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)n1 1622096903 FGVVEQCKDZBJIN-UHFFFAOYSA-N 427.429 1.418 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)cc1OC 1626148557 LTYQXLGLJUFPFN-UGAXZCSASA-N 432.473 1.180 30 10 IDEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1628417524 YBPRHMZARJNBNI-AWEZNQCLSA-N 438.550 1.925 30 10 IDEE CN1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cn2)CC1 1629314936 LZCYIVVMRDLIOH-UHFFFAOYSA-N 431.493 1.200 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1634554687 GMCXVDKJMDZGAM-SFHVURJKSA-N 447.557 1.088 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(c3ncc(Br)cn3)C2)cc1 1636273054 KSODWKXKQCTRSA-UHFFFAOYSA-N 437.319 1.943 30 10 IDEE COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1ccccc1OC 1636881782 XPLQIJRNNFPCTH-HNNXBMFYSA-N 448.472 1.893 30 10 IDEE COc1ccc(C(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c(OC)c1 1641573078 SMGWIIRPYQBLDH-UHFFFAOYSA-N 447.491 1.761 30 10 IDEE N#Cc1cnn2c(O)cc(CN3CCNC(=O)[C@@H]3c3ccccc3Br)nc12 1642607488 DEIZAHFIYHGEAS-INIZCTEOSA-N 427.262 1.742 30 10 IDEE N#Cc1ccc(C2(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCOCC2)cc1 1642632527 BJBPEEMRWUTXAX-UHFFFAOYSA-N 438.509 1.809 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1643543348 OPPHXUKIBLIANI-VFNWGFHPSA-N 428.526 1.778 30 10 IDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1644292104 RKWSUZFDDZSDLB-QZTJIDSGSA-N 449.573 1.273 30 10 IDEE N#Cc1cn(CCNC(=O)c2nc(Br)ccc2Br)c(=O)nc1O 1646148469 UFVXONZAFQIOHE-UHFFFAOYSA-N 443.055 1.171 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCCN(CC)C3=O)nnc12 1654828655 BFYDFFBMNVWEHJ-OAHLLOKOSA-N 440.529 1.449 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C1CCOCC1 1656099674 LGVPRMNNFPVUJC-CQSZACIVSA-N 436.349 1.559 30 10 IDEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 1656436751 KLYVIFPSJWJGAQ-KRWDZBQOSA-N 438.550 1.685 30 10 IDEE CC(C)(C)OC(=O)[C@@](C)(O)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1661344859 DECSLZPNCOYFBV-HNNXBMFYSA-N 437.287 1.831 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccccc2-c2ccccc2)CC1 1667587133 DNFQNARTLAGSIF-UHFFFAOYSA-N 442.541 1.527 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1672537169 OJIDUTNBEKLLCY-AWEZNQCLSA-N 446.367 1.763 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)CC1 1675381107 VDQDVSWQADQHPX-UHFFFAOYSA-N 434.606 1.938 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)c2nc(C(F)(F)F)cs2)CC1 1679678961 DFEOFNDBXWOWGW-LLVKDONJSA-N 439.485 1.408 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1680909830 OXVGVGJBCLPZAT-ZDUSSCGKSA-N 425.498 1.779 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1689990391 NUXWJOHAJMYBNE-RTBURBONSA-N 444.557 1.796 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1690528257 YOSVYTYVPQDFFS-MRXNPFEDSA-N 425.942 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1690720681 PUEPNBYZERBWSK-UHFFFAOYSA-N 431.518 1.625 30 10 IDEE CCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1696170401 GUDUWWBAOJAGPY-MGPUTAFESA-N 447.565 1.860 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1697567839 MKBJIUBKPFGYFZ-RLBWVDARSA-N 438.488 1.705 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC(N)=O)c2)C1 1698486055 GDSKAAYMUFNYHQ-QFIPXVFZSA-N 435.463 1.618 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1705495776 VHRJZAWEXUUBAV-QFBILLFUSA-N 447.561 1.264 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(CC)CC)N(C)C 1705551316 LMYWOZXNYFSQJP-ROUUACIJSA-N 440.614 1.047 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1705598570 LTENPBUFBRJNOO-GOSISDBHSA-N 427.530 1.201 30 10 IDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1705754861 HCBCVAXZGHWXNM-CQSZACIVSA-N 440.932 1.665 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1705819519 NNBUJYJJFRFJDC-GOSISDBHSA-N 441.598 1.566 30 10 IDEE C=CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705822655 MKSRYRFCGHPZJB-GOSISDBHSA-N 438.532 1.587 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1705841172 QKHDKFZIUULGTL-UHFFFAOYSA-N 437.548 1.925 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1705883307 CWJKNVTVKQLACH-UHFFFAOYSA-N 449.519 1.500 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705895455 HNUIYKKGLWUHAW-GDBMZVCRSA-N 446.458 1.564 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(F)(F)C1 1705900558 IEAGYZJAROCXGG-UHFFFAOYSA-N 443.458 1.823 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCCS2(=O)=O)C1 1705922146 GZUQABUDXQUWRI-QGZVFWFLSA-N 432.550 1.465 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCOC2=O)C1 1705928150 BVSDOCFJCYPART-SFHVURJKSA-N 429.525 1.763 30 10 IDEE C[C@@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1708260998 HSAPCSIQSYFRJI-QGZVFWFLSA-N 438.536 1.776 30 10 IDEE CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1710627334 FRZNEGTUIIDHMB-HZPDHXFCSA-N 442.586 1.270 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1710872819 AKWFSVVIAYKINO-UHFFFAOYSA-N 438.513 1.915 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1711317777 FAEWWSCKYRFCDN-CVDCTZTESA-N 438.532 1.975 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1712710605 MQFLPHBSEYZYFT-KRWDZBQOSA-N 444.561 1.761 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC(O)CC1 1722299384 OYLQNNCQBYGBQT-MRXNPFEDSA-N 430.578 1.574 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1722352835 PZYFOTHNZZPLHQ-SFHVURJKSA-N 449.602 1.781 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1722462532 VLEHDGODWISOTA-QGZVFWFLSA-N 439.607 1.524 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722527492 LFWJYXHQVVZHRG-UHFFFAOYSA-N 432.569 1.990 30 10 IDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722560677 BMMJEOLQCYHLNH-LJQANCHMSA-N 433.490 1.559 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722603241 HGLAPNAUMPCWSO-JKSUJKDBSA-N 445.611 1.055 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1722644768 NKKLPRMPPMCRKD-AWEZNQCLSA-N 428.559 1.522 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1723107553 BDLUCYHTMDBEQM-JTSKRJEESA-N 440.504 1.777 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCOCC2)CCOC1 1723682693 QHWSNWUPMFBRIH-RBBKRZOGSA-N 433.553 1.990 30 10 IDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1726748970 BHWKMTLTUORFCV-MRXNPFEDSA-N 449.533 1.015 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1728294241 QMMZMUNUXOGHBZ-DYESRHJHSA-N 442.545 1.308 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(N(C)C)cc2)CCOC1 1728819936 XXIDTDDIPMSCSK-OFNKIYASSA-N 440.548 1.968 30 10 IDEE COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730492422 JNZUNLWAENMISW-IBGZPJMESA-N 436.495 1.842 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)C1 1731179981 HEZIJRKITGFVTN-FQEVSTJZSA-N 441.492 1.761 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCS(=O)(=O)CC1 1740558547 WNVOYVZZVRKMFJ-GOSISDBHSA-N 446.573 1.872 30 10 IDEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCNS(C)(=O)=O 1740582696 HNCWHLGUCOYZIR-UHFFFAOYSA-N 427.534 1.734 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)N2CCOCC2)CC1 1740699113 UPBIHURNTONXKO-QFIPXVFZSA-N 436.604 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(C(=O)NCCC)c2)CC1 1740705137 BPVSHXYLJJYVLI-UHFFFAOYSA-N 436.560 1.994 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(N(C)C)CCSC2)CC1 1740707462 CUZQIDFAYORKBB-OAQYLSRUSA-N 434.610 1.218 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C(N)=O)nc1 1740893763 VRFJOGZTKAECMJ-UHFFFAOYSA-N 426.502 1.513 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1740918052 JWLGHEPMTJGVMZ-SIKLNZKXSA-N 446.573 1.914 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](OC)C(C)(C)C)C1 1740973400 XDQIWPRUZKLKBT-OAGGEKHMSA-N 429.587 1.731 30 10 IDEE CC[C@H](C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1743848498 CGLGUSPRTIAAKG-FKQWUUPDSA-N 429.525 1.628 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1747366578 SNZLKSOYSSUAJE-SFHVURJKSA-N 439.520 1.806 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1747943889 FZGZRIAXGAJSLM-UHFFFAOYSA-N 443.533 1.381 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccncc1Cl 1747974046 UKXPTQLVBKVNGV-UHFFFAOYSA-N 445.936 1.899 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1748791196 QDDQXUCJGMUMOG-CABCVRRESA-N 427.596 1.212 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748811872 MUTXOZBDPYEDMM-ROUUACIJSA-N 443.577 1.236 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1748825261 XCWOMWLJEKVLPU-KRWDZBQOSA-N 436.509 1.659 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748825709 CQYUUKSUDXYYDY-HRAATJIYSA-N 446.504 1.180 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)CC1 1749690272 UVNZSSOYZCGMES-UHFFFAOYSA-N 445.545 1.248 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC 1749690493 SNFSDKSIUQVEIE-SFHVURJKSA-N 435.550 1.680 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1749727547 XERNMLZQDCHEOW-INIZCTEOSA-N 445.501 1.046 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(c2nccs2)CC1 1749740242 SNFGEUNIAPZQFY-UHFFFAOYSA-N 440.595 1.589 30 10 IDEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1749828608 DHFKYOLUSWQVOJ-KRWDZBQOSA-N 449.515 1.904 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1751095263 BSKOYYUPOYTHPJ-QGZVFWFLSA-N 439.545 1.981 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760169824 DOFOQBHYXAUMFY-NJAFHUGGSA-N 441.536 1.772 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1760179271 CWRGSGDDXLOCPJ-KRWDZBQOSA-N 439.520 1.962 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2snnc2C)CC1 1760264919 ZAZDXRQTJXQLBC-UHFFFAOYSA-N 427.509 1.960 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1760445799 WIAXNLPVCKLKJA-UHFFFAOYSA-N 428.541 1.615 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccnc1N1CCOCC1 1760502487 AQMGYQAKAVNJCR-UHFFFAOYSA-N 436.520 1.654 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](COC)C1 1760525230 YFZXZCQEUUKVEI-WMZOPIPTSA-N 429.521 1.420 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1760534457 YZIKMEJENZMWNE-MBSDFSHPSA-N 441.532 1.855 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCOC2)C1 1760547157 FSGTVFNNGUZGSD-JTSKRJEESA-N 430.505 1.798 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760552732 ZCWKTAAWFPCJOY-KRWDZBQOSA-N 434.566 1.033 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)(C#N)CC1 1760678115 RURGLVZPMZSMOV-UHFFFAOYSA-N 434.508 1.577 30 10 IDEE CC(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1760886290 CQQBPAPQOYUCQX-KRWDZBQOSA-N 436.582 1.787 30 10 IDEE Cc1nnc(N2CC[C@@H](N(C)Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762561540 NJTCZFSARCYJQR-LURZSEBBSA-N 435.532 1.824 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1768540308 PLILWMPSVXMLJP-RTBURBONSA-N 445.545 1.636 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)CC1 1769143531 BBTCMQZIIVNTOU-UHFFFAOYSA-N 446.515 1.453 30 10 IDEE COCCCN(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1771040303 SAHGATJDJYVVCU-GOSISDBHSA-N 429.481 1.550 30 10 IDEE N#Cc1ccc(OC[C@@H](CS(=O)(=O)c2ccccc2)OCC(=O)N2CCOCC2)cc1 1852224794 TYYSNWCQTMSEJA-FQEVSTJZSA-N 444.509 1.655 30 10 IDEE CN(C)CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C(=O)O 1857897168 DHDGMQQTWBSAEB-UHFFFAOYSA-N 444.513 1.938 30 10 IDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1C)C2=O 1861530840 NRKJKPNRMKRXSC-DYESRHJHSA-N 447.491 1.982 30 10 IDEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155485 PLGLPYBSMFAILJ-UHFFFAOYSA-N 449.358 1.811 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871682733 JXOAJYXKSRGQMS-UHFFFAOYSA-N 431.491 1.660 30 10 IDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCC(C(N)=O)CC2)nc1C(F)(F)F 1872800463 UVLAXHGWNYRGMH-JTQLQIEISA-N 432.424 1.712 30 10 IDEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562830 VKTNRQKFNCFKFH-HUUCEWRRSA-N 426.521 1.568 30 10 IDEE Cc1nn(C)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 1881501667 RHXQHTMPMZCZAB-STQMWFEESA-N 427.347 1.936 30 10 IDEE Cc1c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Br)nn1C 1881502136 VXZPVMSBARMXTL-CHWSQXEVSA-N 427.347 1.936 30 10 IDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2)c1 1889715711 QQLBRBDGIGGPIR-WMZOPIPTSA-N 434.452 1.757 30 10 IDEE Cc1nn(C)c(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1890953907 BUCDHFOTAHCBLY-QWHCGFSZSA-N 427.347 1.936 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)C1 1891905784 OKXOOEASAWDXHU-UHFFFAOYSA-N 431.408 1.975 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900448937 AULFIKHIGCIDJV-LLVKDONJSA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085656145 FTSXASHJDFBEBK-HNNXBMFYSA-N 433.314 1.955 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1CC#N 2225637976 VANYVSOPXHABCH-YVEFUNNKSA-N 429.420 1.964 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2247902780 BTYDASWOGKIPIZ-CABCVRRESA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2CC[C@@H]21 2255630521 LJARTBMXMWZZPS-CABCVRRESA-N 432.330 1.933 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2255647238 VQHWFLRCFVXUPT-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE CO[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]1NC(=O)OC(C)(C)C 2255705903 BHVADMWOTBEOCA-UKRRQHHQSA-N 436.314 1.943 30 10 IDEE COc1ccc(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256616539 BSYTTXNBZNYFCA-INIZCTEOSA-N 436.314 1.819 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)n1 2267145311 CRCUXFLZZGJIHR-UHFFFAOYSA-N 440.353 1.179 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267518939 DRXRYKZLJMYGMS-GOSISDBHSA-N 439.369 1.255 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315603141 YZMJKDTWXHCAFM-ZIAGYGMSSA-N 434.346 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CN(C(=O)OC(C)(C)C)C1 2315608220 DRKBLBQSDVIQPC-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)C=Cc2ccc(F)cc2)C1 2328071905 PNIJJMZWOJMLCH-PXNSSMCTSA-N 435.455 1.941 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2337204228 IPXPVPZITBCXIS-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CSc1nc(C)c(C)c(C)c1C#N 439949612 XKBZLEYVKGKEIZ-JOCBIADPSA-N 431.514 1.922 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443339171 ZNPZFAXPPBGAAP-UHFFFAOYSA-N 448.545 1.401 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(C[C@H]2CCCO2)c1=O 446114700 VEQNYALUKDXGJW-QGZVFWFLSA-N 438.484 1.347 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 460557048 UTGWOJWGJUFRIP-MSOLQXFVSA-N 441.598 1.973 30 10 IDEE CCN1CCN(c2ccc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc2F)CC1 465260859 BKJXHMYXOGBABW-QGZVFWFLSA-N 437.523 1.980 30 10 IDEE COc1cc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)ccc1OCC(=O)N(C)C 481062710 RUEYNWRBLQJYBM-UHFFFAOYSA-N 435.477 1.793 30 10 IDEE Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)cc1S(=O)(=O)NCC#N 487884646 STIJHKFVGUFEHF-SFHVURJKSA-N 444.488 1.814 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)c(C)c1 503631177 USEPECZVJUPUOX-UHFFFAOYSA-N 432.546 1.289 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NCc1ccc(OC)cc1 506880303 HNZSQIPZUXBORH-UHFFFAOYSA-N 428.474 1.020 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2)CC1 508496075 CDJHULSJUJJJMT-LJQANCHMSA-N 446.577 1.432 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C[C@H]3C(N)=O)CC2)cc1 509108094 ATNNQUSSRODJAH-FQEVSTJZSA-N 438.509 1.402 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1ccccc1C 544640686 AQJCHXBYATYJTR-UHFFFAOYSA-N 434.477 1.673 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)cc1 549869113 YHGZOPHAFODCGO-SFTDATJTSA-N 438.532 1.739 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 554339247 INPHLSKWADHPIG-GOSISDBHSA-N 434.566 1.051 30 10 IDEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 558529374 HZXJDPDOYJMOHV-MRXNPFEDSA-N 429.498 1.674 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCCO3)CC2)n1 571451809 AZACIFOBJRVLLY-OALUTQOASA-N 439.520 1.528 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCC1 579292241 CDGRJKAMMHNXPI-FQEVSTJZSA-N 430.574 1.819 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 609253799 LIGIGRGLAJCLOZ-UHFFFAOYSA-N 427.461 1.785 30 10 IDEE N#C[C@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CCN1C1CC1 732647851 LEEARIQOUUQAAD-VXKWHMMOSA-N 432.528 1.311 30 10 IDEE COc1cc(Br)c(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1OC 733893571 CMIXJCRIXAWQAY-ISLYRVAYSA-N 438.278 1.999 30 10 IDEE Cc1cc(Cl)cc(C)c1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 756905693 OVJBSVFPQNLDFN-UHFFFAOYSA-N 428.945 1.539 30 10 IDEE Cc1c(Br)cc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c(=O)n1C 774216377 YEORCERCFGNPMH-UHFFFAOYSA-N 430.324 1.990 30 10 IDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1 780205651 OQXBPDULDDZKIE-JTSKRJEESA-N 437.496 1.672 30 10 IDEE C=C[C@](C)(CCOC)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 784613777 DSCBMWLYSNORKS-OAQYLSRUSA-N 438.546 1.925 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Br)nc2OC)c1 789588561 FOUZVXARCGCALM-UHFFFAOYSA-N 431.246 1.527 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)n1 792492126 SAILTPSKZIJBHX-LJQANCHMSA-N 440.422 1.123 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 802603556 RIJIUJLDUQNJNP-KRWDZBQOSA-N 433.534 1.904 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cnn(C)c1 803108121 MYRXGICDSMAMGR-IBGZPJMESA-N 439.520 1.944 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1)c1cc[nH]n1 803418768 QJSVKYHQIKHDAD-UHFFFAOYSA-N 435.431 1.711 30 10 IDEE C#CCC(CC#C)C(=O)N1CCC(C(=O)N2CCN(C(=O)C(CC#C)CC#C)CC2)CC1 806946532 JKBFYVXCHSZTEF-UHFFFAOYSA-N 433.552 1.221 30 10 IDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812432630 DFLJANBRNBUIGH-MJGOQNOKSA-N 432.546 1.852 30 10 IDEE COc1cc(N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc(OC)c1OC 813690528 XENCFRKJLMUFLH-UHFFFAOYSA-N 432.502 1.798 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 918647009 FFAGAIUMFIQBTL-UHFFFAOYSA-N 443.529 1.163 30 10 IDEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc1 1083888973 UTYRPKGTUGOOTO-UHFFFAOYSA-N 427.494 1.982 30 10 IDEE CCCC(C)=NNc1nc(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)n[nH]1 1083937385 GRLFMZZCFXYNKE-UHFFFAOYSA-N 435.558 1.911 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)n[nH]2)c1C 1137821929 GXVVKLCBLQIRDM-FOIQADDNSA-N 433.534 1.542 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)[C@H]1c1nccn1C 1143719972 KEAZUXPPZQLQNU-JBACZVJFSA-N 436.516 1.317 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 1149824831 BDNJWVRJLNJIPA-UHFFFAOYSA-N 439.537 1.941 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(=O)n(-c3ccccc3)n2C)c1 1156208487 PGECWVKOHFCYNB-UHFFFAOYSA-N 426.498 1.570 30 10 IDEE C[C@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1167523395 BMXZDRBMNZWUKX-HUUCEWRRSA-N 433.509 1.610 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 1175514986 MTTUHIDAVROKDL-UHFFFAOYSA-N 445.928 1.796 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)CC1 1178757232 MKDMXSXVSXORFA-JXFKEZNVSA-N 437.562 1.810 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c1 1180329817 LGSCQBRUXWZKQD-UHFFFAOYSA-N 437.543 1.161 30 10 IDEE C#C[C@@H](NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)C1CCOCC1 1210543336 HQHWNLAULRITDE-QGZVFWFLSA-N 446.552 1.901 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2C(=O)OC)C1=O 1211667304 TWKIOBRKJQUCAP-ZDUSSCGKSA-N 431.308 1.643 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1277748095 XNUBGPRYAZLTMG-UHFFFAOYSA-N 428.533 1.734 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1286296213 MXOKNMPALVQSQX-SLIRCBHYSA-N 448.483 1.775 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1286316916 MVUVLAGXJALFHR-KRWDZBQOSA-N 446.577 1.724 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1286430343 MFQOTSNSZNPGCY-FQEVSTJZSA-N 441.557 1.873 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[C@H]2COCCO2)CC1 1286490554 XSGKMSQAKBJLBH-SFHVURJKSA-N 441.507 1.856 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286789988 YWNQDNAWKXWBCD-VQTJNVASSA-N 441.532 1.564 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C)n2)C1 1286800185 HPKFRZXTJHAEMK-AEFFLSMTSA-N 434.566 1.616 30 10 IDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3nc4n(c3C#N)CCOC4)n(C)c2)C1 1289682647 CWFLJOFMDGLJOO-CYBMUJFWSA-N 432.506 1.296 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 1291814572 OHGNQALPLXWIGA-YKSBVNFPSA-N 435.480 1.885 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1293226509 AMRUIJLGDQDSSG-QGZVFWFLSA-N 433.520 1.926 30 10 IDEE CN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1298489569 BTFMHBPUAKNREK-UHFFFAOYSA-N 441.517 1.771 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298787907 QJFFUWZPQFATDB-YLEKHRKWSA-N 430.509 1.661 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300267750 JPVQSTHGJSXMCP-GDBMZVCRSA-N 444.502 1.918 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300491390 HMHDYPOCEVHYAR-SFHVURJKSA-N 427.530 1.320 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1300496461 RNNYQFDPPWQKIG-DLBZAZTESA-N 449.964 1.896 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1300556532 IOAISTCNJMZQQS-VGOFRKELSA-N 441.557 1.185 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(OC)c1 1300590371 AGLIMEQVNISHDI-UHFFFAOYSA-N 448.527 1.302 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1300618658 LKQPQVUTHBQQBS-UHFFFAOYSA-N 449.559 1.762 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCC1 1300663425 BELXTYMSOMBKLI-UHFFFAOYSA-N 436.516 1.583 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300708584 VOMICTQPKSRBQH-IBGZPJMESA-N 442.470 1.908 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301507351 ZWVBHECDGJHYCW-KRWDZBQOSA-N 447.561 1.193 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1301587036 WWOVUTVCGIFOJP-UHFFFAOYSA-N 435.594 1.985 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1306505018 HFRVWIZQQKTUBE-MVZUJROASA-N 429.525 1.252 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CNC(=O)c2ccc(C#N)cc2)c(=O)c1C#N 1306833369 DIQUVHBWFBNHKO-UHFFFAOYSA-N 428.246 1.471 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(O)(CN1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2 1308127901 IRGARASIGCUBRJ-IUVQAAGXSA-N 425.551 1.150 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCCn1cc(CO)nn1 1314740932 GZZPKYZEGALJCX-IBGZPJMESA-N 436.520 1.854 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315736140 VABKHWBMJZBYKL-AIGMWWALSA-N 430.509 1.517 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1 1315753802 DDLLFIXMYDEADR-UHFFFAOYSA-N 435.488 1.893 30 10 IDEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1316102902 NRGBWBOKKPDEOK-SFHVURJKSA-N 426.521 1.831 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCn2cc(Br)cn2)CCO1 1316538033 GMFNZZJZCPUVKA-ZDUSSCGKSA-N 430.270 1.123 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 1318286181 HUNWDEXTKLGXFF-OAQYLSRUSA-N 442.497 1.136 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1358918974 NENHDJFKNMUGAY-UHFFFAOYSA-N 449.559 1.688 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358964907 JVJZGIRLGSILPT-QWFCFKBJSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358977407 LTPXRUUAHNKCHR-QFIPXVFZSA-N 446.555 1.307 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1359026243 PJKJPQGPOMDAFA-KRWDZBQOSA-N 442.545 1.037 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCOC2)CC1 1359039617 OTSTZRXRWLKJLV-QFIPXVFZSA-N 427.574 1.785 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCC(C)CC2)CC1 1359045429 GXOAGLCWAKSQIN-FQEVSTJZSA-N 428.581 1.480 30 10 IDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1359229055 WXMYISBRWNGLKP-SFHVURJKSA-N 439.520 1.061 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1359269010 LLQFQQAJEUZPJC-OAQYLSRUSA-N 448.545 1.690 30 10 IDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1359282035 PJXGVRPRZIHCBZ-LJQANCHMSA-N 443.552 1.506 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(C(C)=O)CC1 1359295664 JWAGNQGTPZJJHG-UHFFFAOYSA-N 446.939 1.968 30 10 IDEE C[C@@H](CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1453033495 GUPSLJSMCZMGAR-KBPBESRZSA-N 436.534 1.629 30 10 IDEE C#CC[C@@]1(C(=O)NCc2cn(CCOC)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1455141087 URVDJNSNTGGXIT-NRFANRHFSA-N 434.493 1.005 30 10 IDEE C=CC[C@H]1CCN1C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1456852607 KTQKYWRLBZLWKN-GOEBONIOSA-N 434.967 1.599 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1460817361 HCNZIRQFDMOCPC-MRXNPFEDSA-N 428.514 1.017 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C2 1460925029 KVJCMVPJBCNPAU-RHSMWYFYSA-N 441.561 1.749 30 10 IDEE N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc1 1467097811 FBLALUNPMJDGOV-UHFFFAOYSA-N 429.487 1.496 30 10 IDEE CCOC(=O)C1=CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1470798996 TUXGJVQXZWLCBI-QGZVFWFLSA-N 432.502 1.226 30 10 IDEE N#CC1(C[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCOCC1 1473299600 OUZWYKHBCANAQT-OAHLLOKOSA-N 445.944 1.857 30 10 IDEE CCc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)o1 1498283159 CPGCOWJKMQAIFF-HNNXBMFYSA-N 436.538 1.454 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1500987544 JADYULWBYBSROJ-YESZJQIVSA-N 425.603 1.749 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1503403117 UNZWAZJASLQWJT-ZWKOTPCHSA-N 426.477 1.509 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507525963 KACXHIUVFSXNJS-JKSUJKDBSA-N 445.545 1.456 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCn2ccnc2C)CC1 1507726172 GRVHCCVKSHKFAR-UHFFFAOYSA-N 435.580 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1507733826 MGKOLGZHHKPLBK-SJLPKXTDSA-N 430.528 1.618 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507748563 LEMUEUBNSLJDJE-UHFFFAOYSA-N 437.591 1.979 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507753102 JIVVIEODBRTQDC-FQEVSTJZSA-N 443.621 1.665 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507881664 SUKAJIWPIXYXGH-OSCRUYLVSA-N 430.509 1.685 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)NC(C)(C)C 1508135084 JNRJMZOOXDNSJV-UHFFFAOYSA-N 449.577 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)CC1 1508144630 RCNIWQSAFWSAHT-UHFFFAOYSA-N 432.594 1.643 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N1CCOCC1 1510029806 DDCIDCDDUUIWQB-DLBZAZTESA-N 446.577 1.407 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1512645631 RBUWQCVBQHOQBE-FDDCHVKYSA-N 435.532 1.790 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1CCOCC1 1519320493 PNKBFGYLOYZVMD-YLJYHZDGSA-N 432.569 1.995 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1525739104 XMOHDJMFOAJGBA-CTNGQTDRSA-N 449.573 1.771 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)NCCO3)c1 1534106267 SJSQZORNSZEJQL-LYBHJNIJSA-N 442.497 1.874 30 10 IDEE CS(=O)(=O)N1CCC[C@H](C(=O)Oc2ccc(C#N)cc2I)C1 1538615736 HFFOQQPKDCWFOY-NSHDSACASA-N 434.255 1.740 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1 1539011503 FRPMFRMPTWEWQA-MRXNPFEDSA-N 430.503 1.769 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539068377 UGLFHTZVMGWCNG-INIZCTEOSA-N 433.516 1.662 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539089875 USZMVEWUPSCTFU-FQEVSTJZSA-N 428.518 1.354 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1539272865 FQOHQQRPROATNV-KRWDZBQOSA-N 433.512 1.854 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1539428122 NEQCRTHRIWJLRZ-JOCHJYFZSA-N 432.638 1.539 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2OCC[C@H]2C)CC1 1539459252 AZPBKEKQLMNHSO-IAGOWNOFSA-N 428.562 1.450 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1540200941 LPVGLKGFTPIIGU-ROUUACIJSA-N 448.593 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](NC(C)=O)C1 1540866816 BFBKQIAELPYGEF-SFHVURJKSA-N 433.516 1.900 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1540909379 GGQUOTFHGHTQTC-DLBZAZTESA-N 442.655 1.872 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541300147 URZGZGSRZGMOLM-QFIPXVFZSA-N 439.520 1.342 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)c1 1544812663 VGGREXBWTPWXPR-WJOKGBTCSA-N 447.557 1.871 30 10 IDEE CCN1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1547695961 NFUIPDBEXMDBAO-XUTLUUPISA-N 441.536 1.521 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 1568095537 QPCOWUOQBQUCKK-HNNXBMFYSA-N 443.456 1.981 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3cc(C)on3)CC2)c1 1583558136 CNPLVTDHAMNIPP-UHFFFAOYSA-N 429.498 1.815 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ncccn2)CC1 1585200810 UNXXZFVEKNGDGB-MRXNPFEDSA-N 438.960 1.751 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1585656406 SZNPYEFJCNHIAN-IQUSIQNSSA-N 438.571 1.252 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1585788854 YPARNFSCYQSQLN-HXUWFJFHSA-N 443.397 1.431 30 10 IDEE Cn1cc(I)c(C(=O)N2CCN(c3ccsc3C#N)CC2)n1 1587275531 PFQHJMUFDMLSEE-UHFFFAOYSA-N 427.271 1.920 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1587638147 CEEFRGROWUBMSF-LHHMISFZSA-N 439.582 1.273 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1587813267 KNDSVSCIPYZXEL-HNNXBMFYSA-N 443.577 1.627 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1588138762 IRZKBOMGDLYSKW-RBUKOAKNSA-N 425.558 1.990 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[S@](=O)CC)CC1 1588779769 CDCIWGWMAFWTNA-SSEXGKCCSA-N 431.562 1.486 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nncn2CC)CC1 1588929848 HVIAGCDESDQBNC-KRWDZBQOSA-N 426.525 1.145 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1589047681 FNMDYYVCQJINCN-IAGOWNOFSA-N 443.577 1.469 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC 1589216493 QFRFAQAKLQJDFV-DBVUQKKJSA-N 439.582 1.154 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595602824 RVEKGWVSWYXRPP-CVDCTZTESA-N 447.580 1.874 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CCC2)C1 1595720845 CGBVTUFTBAZJPR-JMLKKNOCSA-N 442.607 1.263 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1597332980 WGQKWCILZQJPIC-UHFFFAOYSA-N 447.557 1.881 30 10 IDEE N#Cc1cccc([C@H]2CN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CCO2)c1 1598447764 BOHJUWFQYVDHBI-RBUKOAKNSA-N 449.916 1.451 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1617047077 IPSRDBRPHSLESI-RTBURBONSA-N 437.585 1.486 30 10 IDEE Cn1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCO)CCOCC(F)(F)F)n1 1618425484 PYKHJOKFLRXYBC-UHFFFAOYSA-N 449.437 1.976 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)C2)CC1=O 1619927383 FPPNIKNYMVXEML-SFHVURJKSA-N 438.532 1.927 30 10 IDEE CS(=O)(=O)N1CCC(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 1624278847 ZHDNFCPCZXAVEI-UHFFFAOYSA-N 444.561 1.437 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1626708453 MYEMYARJGGYCMP-KRWDZBQOSA-N 431.493 1.495 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)CC1 1628146203 DOUHQYAOHPGOGG-UHFFFAOYSA-N 438.488 1.045 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1628831708 JCWITHOOVZQBDJ-GOSISDBHSA-N 427.505 1.674 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1 1632493014 HOMXIKWUROBBAY-GOEBONIOSA-N 442.497 1.155 30 10 IDEE C#CCN(CC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C(=O)OC(C)(C)C 1635838539 RVJRITASPBOVEE-INIZCTEOSA-N 431.489 1.298 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C2CCCC2)CC1 1635993055 HGDAQRGNWFQUCW-BJKOFHAPSA-N 436.600 1.818 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCC1 1636801984 ZSASNBMIIWUZQA-KBXCAEBGSA-N 426.539 1.404 30 10 IDEE C#CC[C@@H](NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)C(=O)OC 1638832963 YPQGGUIYHGKYBK-NWDGAFQWSA-N 441.435 1.692 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)[C@H]3CCN(C)C3)nnc12 1641740884 OIIGFFCDZMRDMR-HNNXBMFYSA-N 426.546 1.875 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 1644986521 RMBFCXHCDLGEMC-XWSJACJDSA-N 435.565 1.951 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)o1 1645043155 KEGVDMBZCMOUAQ-KRWDZBQOSA-N 433.486 1.750 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 1645345988 BZLMLOQFHUAKCN-HOCLYGCPSA-N 445.549 1.278 30 10 IDEE CC(=O)N(C)c1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1645633665 DQWSUDHVYOSOBY-CQSZACIVSA-N 428.514 1.803 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cn1 1647847156 PZDOYRIAUNZGPZ-UHFFFAOYSA-N 432.528 1.578 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 1651665377 HHRIZXCHXLZEJX-OGLOHFSISA-N 434.493 1.141 30 10 IDEE C=CCn1cc(CNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)nn1 1669875087 DUPBJJSVQCDJKN-GOSISDBHSA-N 433.534 1.932 30 10 IDEE Cn1ccc([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccc(Cl)cc2)n1 1671440120 RNWVISBVFOVJJH-FNHZYXHNSA-N 433.921 1.743 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1689907781 LOPWMIXXFVRFJK-UHFFFAOYSA-N 425.537 1.855 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCOCC1 1690012203 UUIFLCYYPFKDPB-UHFFFAOYSA-N 429.528 1.926 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1690032408 ARWHBOHGJMOUFH-SFHVURJKSA-N 431.537 1.943 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCN2CC)CC1 1690113324 GSDCKEHFNDNJRH-XUZZJYLKSA-N 444.624 1.948 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690117795 WCJMYORQNDYCQZ-MSOLQXFVSA-N 430.940 1.800 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690237361 YBDIBJVKMMYMLH-BJLQDIEVSA-N 444.580 1.989 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O)C1CC1 1690535720 FVHVIQZLTDLMRN-UHFFFAOYSA-N 432.550 1.851 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690676347 XDDPVSTZRJMWFJ-HXUWFJFHSA-N 432.912 1.514 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1692559148 IPGGRJFBGFQQMP-QHCPKHFHSA-N 437.548 1.642 30 10 IDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cc(CO)nn1 1694724574 FRWPTJGJSUWSEB-UHFFFAOYSA-N 449.563 1.599 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1694737193 CQDYLBFMPVGDJX-GOSISDBHSA-N 443.577 1.463 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1697115543 WCNDHCIXEIOZJL-FPTDNZKUSA-N 437.504 1.666 30 10 IDEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)CC1 1698319288 CCKRANOBSOMWKR-SSEXGKCCSA-N 427.534 1.967 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1705563680 CFKXULZIMQTVKY-OAHLLOKOSA-N 447.948 1.527 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)CC 1705621390 ZGTMRHORRIPICG-GOSISDBHSA-N 435.525 1.848 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1705659212 OSVSVIWCYYYQQV-NRFANRHFSA-N 437.529 1.662 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)C1 1705927063 PWNKLYNWXDZHJH-GOSISDBHSA-N 431.562 1.961 30 10 IDEE CCc1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709095321 VEIAMCHOSRRQND-FBBFKJPPSA-N 436.516 1.773 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1710856596 AKTMLMSCQIBGCQ-CQSZACIVSA-N 439.563 1.121 30 10 IDEE CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1711207263 HZDYGRWWCSNOBT-ZDUSSCGKSA-N 438.414 1.148 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722335360 UFAFYQZMNJKZPJ-SFHVURJKSA-N 430.578 1.785 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722352664 KCLTUUXFPKAWFT-LTIDMASMSA-N 444.536 1.323 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722360434 HPJIYROOWRYNMQ-GOSISDBHSA-N 443.573 1.676 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCS(=O)(=O)C1 1722367496 WJFPYRJCTPBOHY-FQEVSTJZSA-N 442.589 1.893 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1722369199 ZNRHAPMJPTWPNI-GOSISDBHSA-N 431.562 1.159 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722369523 AKLLMEGQLLGAQX-XSLAGTTESA-N 436.578 1.675 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1722373987 SWQAYLZQEYEJLR-KRWDZBQOSA-N 445.520 1.666 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722697005 DEQZSCMIWYPCSX-OAHLLOKOSA-N 428.522 1.324 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722697413 JJCRAEOROGPRCP-UHFFFAOYSA-N 444.543 1.780 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722699187 DAVIUSGNLJSDHP-UHFFFAOYSA-N 430.484 1.009 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)COCCO2)C1 1722720634 NGZQSONVINUSLM-IERDGZPVSA-N 447.561 1.856 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CC(F)(F)CO1 1723925725 MORIRXKUMRYSBC-GXTWGEPZSA-N 432.497 1.443 30 10 IDEE CCCNC(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1728183772 HYFCHAIACIASJA-SFHVURJKSA-N 439.520 1.792 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1729722890 CTUCZHMVTJVUHT-ZHRRBRCNSA-N 440.504 1.249 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1730872736 FAWMHXDGAVLYSE-CRAIPNDOSA-N 428.493 1.072 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1740573663 GDOKZOOXANDPSU-INIZCTEOSA-N 445.536 1.896 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CC(OCC)C1 1740615643 IFXDKPMDPDSJEW-GFJLWIRXSA-N 447.580 1.341 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740620845 SDDPOSOTMZVYCS-GOSISDBHSA-N 444.557 1.886 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1740644270 ZKOIRHTXLYJRBA-UHFFFAOYSA-N 428.452 1.825 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1740659485 ZQUUOKMRAXJQQS-UHFFFAOYSA-N 436.545 1.494 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1740697570 JRYMTPXYYCUTHA-OPAMFIHVSA-N 447.486 1.842 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1740706244 UWUDHGUIWQQXQM-QKNQBKEWSA-N 442.608 1.868 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740955085 LIPPGPBUWQJOSJ-HXUWFJFHSA-N 435.532 1.420 30 10 IDEE CC(C)C(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1741131193 DREVMXAJTSAWGW-QGZVFWFLSA-N 439.568 1.820 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1741727538 LBXOGMZDLNNTII-VXKWHMMOSA-N 430.553 1.975 30 10 IDEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CC1 1741950480 AVFISAXISFUSMK-RXVVDRJESA-N 429.546 1.991 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OC)cc2F)CCOC1 1746733457 HSKZANLCBYJDBG-UTKZUKDTSA-N 431.468 1.855 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1747418620 BOZAZRXIFAJZNW-AWEZNQCLSA-N 439.563 1.121 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC1CC1 1748679874 JZFUBBTYUJSOJO-FQEVSTJZSA-N 449.603 1.627 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1748725498 DVJJUNGFJGWQIH-UGKGYDQZSA-N 427.505 1.606 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCS(C)(=O)=O 1748784338 KESNCCPOHZXZGX-UHFFFAOYSA-N 442.545 1.476 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1748863658 CBOHBVFGPYBTSV-SJORKVTESA-N 448.618 1.716 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(COC)CCC2)CC1 1748978823 PMWAENVXMOAUMJ-HSZRJFAPSA-N 431.581 1.892 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[S@](=O)CC)CC1 1748999205 LVLICLMVEDFGOP-SSEXGKCCSA-N 431.562 1.390 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2C[C@@H]2C)CC1 1749003310 FHPKBAYSIJDVEP-LTMIRXACSA-N 429.565 1.941 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCSC2)CC1 1749010205 PIWOGVAJPNRTSG-DYESRHJHSA-N 433.578 1.006 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)C(=O)C1 1749119345 QIEDIWNLMBJKFW-UWVAXJGDSA-N 433.553 1.794 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749246519 DJQHALWWEIESAL-UHFFFAOYSA-N 437.976 1.257 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1749732575 ZFKXISFRKCJCAT-HUUCEWRRSA-N 443.520 1.702 30 10 IDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1750903978 ZGYAUGGXYAMZIE-UHFFFAOYSA-N 431.566 1.286 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1760189750 WIUPKOCDUIDMBU-IPMKNSEASA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1760189925 RTDMOABEOKEKQF-MRXNPFEDSA-N 436.497 1.788 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1760192698 WVJJLWOYFUSVGI-LJQANCHMSA-N 430.578 1.924 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCC2CC2)CC1 1760271527 ASBINOWBEBQQAM-UHFFFAOYSA-N 440.573 1.422 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760553341 RVCZFQKWWKNWKV-QGZVFWFLSA-N 438.575 1.559 30 10 IDEE C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)[C@@H]1C 1762987745 GMJYJASPXPLRGG-CKEIUWERSA-N 434.522 1.359 30 10 IDEE CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1763351531 BNFXSZUVPRAUTC-OAQYLSRUSA-N 437.504 1.498 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCO1 1764140346 RVSWGBNLOVNCKF-KRWDZBQOSA-N 439.520 1.910 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1765634248 VKXXANYOMVNMBU-FQEVSTJZSA-N 435.532 1.420 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)CC1 1767213698 AMHZVKPETMNDTN-UHFFFAOYSA-N 427.578 1.828 30 10 IDEE CCOCc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1767752049 HBSMBRPYDPXKLU-MOPGFXCFSA-N 445.545 1.494 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)COC)C1 1769170554 CDRSSTGPBYLCHQ-AOMKIAJQSA-N 426.521 1.974 30 10 IDEE COC[C@@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1769286028 UGLIXPVPVIUXQM-SFHVURJKSA-N 436.495 1.842 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1770056221 YIHJKHAOEHLHFU-APWZRJJASA-N 427.505 1.977 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1770335861 AWOYARZUQZUNHG-OTWHNJEPSA-N 429.546 1.960 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)OC 1771297221 XYBBCCFZFXPJEQ-DEYYWGMASA-N 428.493 1.572 30 10 IDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 1851560007 ZQHKCLYEVKLTAP-UHFFFAOYSA-N 439.911 1.895 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@H](COc2ccc(C#N)cc2)OC(=O)[C@H]2CN(C)C=N2)cc1 1851917917 QFDFOKOQQDHGBD-PZJWPPBQSA-N 441.509 1.974 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3nnn(-c4ccccc4)c3C(F)(F)F)CC2)n1 1852777688 OMNBQHORMHYHJR-UHFFFAOYSA-N 428.378 1.910 30 10 IDEE Cc1c(CN(C(=O)c2ccccc2OCC#N)[C@@H]2CCc3nn(C)c(=O)cc3C2)cnn1C 1853466219 DMOZXHGPSLOJPX-LJQANCHMSA-N 446.511 1.925 30 10 IDEE COCc1nc(CCN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@@H]2C)no1 1855155288 PKGCZRGHVIBJLU-ZDUSSCGKSA-N 431.880 1.851 30 10 IDEE CN1Cc2ccccc2C[C@H]1C(=O)O[C@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1856458053 DBAYJVKFMZXSRG-QUCCMNQESA-N 427.482 1.463 30 10 IDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3nccc(Cl)c3F)C2=O)CC1 1857067223 XDDYNPMNTGXSJL-HNNXBMFYSA-N 428.855 1.704 30 10 IDEE C=CCN(CC=C)C(=O)[C@](C)(CC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862130941 ATQFKFIGEQUABR-QHCPKHFHSA-N 447.532 1.928 30 10 IDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(OCC)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870002806 VROBVLMBAKMATG-QGZVFWFLSA-N 445.545 1.889 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 2020663587 ORESNYRNGNOEKU-OAHLLOKOSA-N 438.525 1.720 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCO)cn1 2164497614 QDLLZFUPFAFDGY-FQEVSTJZSA-N 431.445 1.192 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CC[C@H]3NC(=O)OCc3ccccc3)[nH]n2)OC1(C)C 2243387529 VYVWFDLNGOVRHT-HZPDHXFCSA-N 440.309 1.896 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)C1 2247556340 NKHVVVFSBSODPT-UHFFFAOYSA-N 437.537 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2247906713 PEVZGHBDEFZMQT-UHFFFAOYSA-N 438.359 1.640 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2247909311 HYMKTSFTBMEKLK-ZIAGYGMSSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248442392 SNYXDZGHVNBKHD-LBPRGKRZSA-N 436.343 1.811 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248443880 SELHUAQBESMUOT-GFCCVEGCSA-N 441.359 1.192 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255626565 HMFAHOQLMPTQOI-ZIAGYGMSSA-N 432.330 1.648 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267005227 LMKOIRJVHGZOKU-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267274071 VHCUTCQBPBTOPP-SJORKVTESA-N 447.341 1.481 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2267522896 ZKYPHZAZJYRLBW-HNNXBMFYSA-N 446.357 1.991 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267597171 ORZKVEGBJBXDGP-UONOGXRCSA-N 449.361 1.490 30 10 IDEE COCC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312407 WIRSCHXPNLXBOD-SNVBAGLBSA-N 425.765 1.376 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2312325647 DGNLECZMZYSTBD-UXLLHSPISA-N 438.330 1.010 30 10 IDEE COC(OC)[C@@]1(C)Oc2ccc(N)cc2[C@@H](N/C(=N/Cc2ccccc2)NC#N)[C@@H]1O 3954922 OZHUPJHJQIEDFA-DXIQSLLYSA-N 425.489 1.657 30 10 IDEE investigational C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 29008434 LNMGWKQTFRPRSD-MRXNPFEDSA-N 429.498 1.663 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CCCOC 254588595 DTDJUDINGSJEPC-UHFFFAOYSA-N 449.479 1.353 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@@H]1CCCO1 440384268 QGRLWZQLSXBGHY-SFHVURJKSA-N 439.537 1.040 30 10 IDEE CC(C)N1C(=O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1(C)C 464368756 VEZTXFZVKFKHHA-UHFFFAOYSA-N 446.573 1.817 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN(c4nccn(C)c4=O)CC3)c2C#N)C1 467175788 KMMPKXPBHSORQT-OAHLLOKOSA-N 440.573 1.989 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 480514660 MUZNZBDOQKMVJV-OAHLLOKOSA-N 437.481 1.469 30 10 IDEE COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)c1 481019372 GUFSOCKZKKOBQS-IBGZPJMESA-N 433.461 1.939 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1 481043735 XEWGSGOAIURRLK-CYBMUJFWSA-N 428.536 1.165 30 10 IDEE Cc1nnc(CN(C)CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1C 492306675 BUUDMVAIXSLXQU-UHFFFAOYSA-N 439.499 1.083 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)cc2C1=O 498723587 XSZLMCKKXWNQFN-UHFFFAOYSA-N 447.495 1.332 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)NCc1ccccc1 503627055 SKYMKLLYWAYDJJ-UHFFFAOYSA-N 440.525 1.672 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 508013820 LIXRLHOINYVOOD-UHFFFAOYSA-N 434.543 1.135 30 10 IDEE C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 518849829 AQGRDFUYDBCOCX-OTWHNJEPSA-N 425.595 1.253 30 10 IDEE CN(C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 539555634 UWDBEIDGLNFFLD-UHFFFAOYSA-N 442.950 1.852 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 554301935 RVOSTWHTTBAKJJ-QZTJIDSGSA-N 433.534 1.167 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 731887791 FCAIOPUPTBQJTP-CZIZESTLSA-N 432.502 1.117 30 10 IDEE C[C@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732666611 ZSOFOJKJRWIZDL-PGRDOPGGSA-N 438.488 1.040 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1I 732706923 RPZJNQJXTUYBRD-AWEZNQCLSA-N 438.269 1.737 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C(=O)N=c3cc[nH]cc3)c2)cc1 734355001 XTYKESZGTSJGKY-UHFFFAOYSA-N 448.504 1.597 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 737305134 FMQHYOZPQXUPJN-FBMGVBCBSA-N 433.415 1.146 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1C#N 746921274 IFVIQTLPSZXGFY-QRGKHIHXSA-N 432.480 1.986 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2C#N)c1=O 748063106 GJNYXYGMMWPLLY-UHFFFAOYSA-N 443.532 1.993 30 10 IDEE COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 754490653 OCRRRBCZBRHSED-QGZVFWFLSA-N 436.472 1.105 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCc2cnc(C3CC3)nc2)C1=O 755562913 OKENNVPKGFBMIA-FGGSVNHKSA-N 438.557 1.970 30 10 IDEE N#Cc1ccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 764747070 CDLQLQWLWTYOSK-UHFFFAOYSA-N 428.470 1.325 30 10 IDEE CN1CCO[C@H]([C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccc(Cl)cc2)C1 766245843 GXXLUOKDGGCJLT-IMNNQKJOSA-N 447.923 1.537 30 10 IDEE C#CCN(C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1)[C@H]1CCS(=O)(=O)C1 774038739 ZTQZNJKGPNDXEX-HNNXBMFYSA-N 430.486 1.703 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)n1 793982832 MBPKBEGWSPBRAD-DENIHFKCSA-N 440.548 1.615 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCC#Cc3ccccc3)ccc2F)CC1 801506649 QXWWYWZGQBHSMA-UHFFFAOYSA-N 444.484 1.887 30 10 IDEE C#CC[C@]1(C(=O)NCC(C)(C)N2CCS(=O)CC2)CCCN1C(=O)OC(C)(C)C 809681460 WOFIXZVUUNPRST-OAQYLSRUSA-N 425.595 1.739 30 10 IDEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813980273 YRBWKKIOQKQQAT-LJQANCHMSA-N 426.498 1.758 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C(=O)N3CCC[C@@H](C(N)=O)C3)C(C)C)cc2C1=O 876538326 OYOWLGGDLLNUMS-QAPCUYQASA-N 441.484 1.374 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 916775735 OEZQVMMSYAKYIL-LJQANCHMSA-N 447.538 1.748 30 10 IDEE COc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)ccc1OCC(=O)NC(C)C 916777496 HCUPGEIEEZYYQI-UHFFFAOYSA-N 445.497 1.730 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)s1 917769546 DZCARQOXSHHVDM-UHFFFAOYSA-N 446.598 1.125 30 10 IDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1129973924 BLVHXZKENNBZRQ-GFCCVEGCSA-N 448.405 1.393 30 10 IDEE COc1ccc(CC(=O)N(C)Cc2cc(C#N)cs2)cc1S(=O)(=O)N1CCOCC1 1134468865 VLJWKXDMKXUFJO-UHFFFAOYSA-N 449.554 1.850 30 10 IDEE C#CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)cn1 1139860984 KOIYMGBKQIRFLD-UHFFFAOYSA-N 425.308 1.459 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1164670923 ATXWVYDQYHQORU-KBAYOESNSA-N 442.375 1.933 30 10 IDEE N#Cc1cnccc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1166495350 XZVYSCFIHWLQSU-UHFFFAOYSA-N 427.511 1.450 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CCOC 1286274029 HYHIBNKPSNEIHK-INIZCTEOSA-N 447.609 1.583 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCOCC1 1286285052 JVHDIVGYJLAIJF-QGZVFWFLSA-N 433.516 1.871 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CN(CC(C)C)CCO1 1286369393 OHNAAMAORAELAE-GOSISDBHSA-N 449.559 1.618 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286393780 RZYLJUFMEYRUHY-SFHVURJKSA-N 433.578 1.306 30 10 IDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286396727 YPGMFBWJEYOHBA-BZSNNMDCSA-N 437.610 1.355 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCN(C)C1 1286438293 WWJJKDJSAACPRY-NRFANRHFSA-N 445.593 1.073 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1286479655 NTOMMEBYGSXGNC-GCJKJVERSA-N 442.951 1.546 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCOC(C)(C)C2)CC1 1286489816 FLPNEFKFCWHVFU-UHFFFAOYSA-N 439.564 1.350 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](CC)C1 1286789613 GPZOJZPACGISGI-CQSZACIVSA-N 434.591 1.904 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1289350910 XEDIXARHJNBZPB-RDPSFJRHSA-N 448.479 1.934 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(NC(N)=O)cc2)cs1 1290434956 AULJKWWWVJNPIY-KRWDZBQOSA-N 438.517 1.902 30 10 IDEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)s1 1290685883 IFDUMPDLMGMIPD-UHFFFAOYSA-N 429.531 1.454 30 10 IDEE COc1cc(I)ccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1293033543 YZPNMTNJIQGDJS-JQIJEIRASA-N 441.225 1.556 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)C2)C1 1297936525 FCRBMKLVEZTTCG-DSESUSJESA-N 437.562 1.951 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1300337347 ZMYBWEDHOBZSBN-UHFFFAOYSA-N 427.553 1.702 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1300358536 XVZJILWHYSQGCD-MRXNPFEDSA-N 443.577 1.709 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CCOC)c1 1300460002 YWLWXSDJCNOBDG-UHFFFAOYSA-N 435.536 1.413 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300484479 PUPCNVKVYVWAQD-HNNXBMFYSA-N 425.555 1.553 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1300539020 WQOUOFGZCAGVMK-HXUWFJFHSA-N 425.558 1.385 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1300685070 FRKHDCVQGYBOJG-NFBKMPQASA-N 430.597 1.414 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCS(=O)(=O)NC)CC1 1300710193 WAONTDBNSMCIHH-UHFFFAOYSA-N 448.618 1.183 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1300873361 JAQDUTCGNIIOKP-FJIDUMEYSA-N 440.614 1.400 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301165017 YUKYVKROEGULAE-FAJBIJEISA-N 436.553 1.965 30 10 IDEE C=CCn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1[C@]1(OCC)CCOC1 1301472895 YAZAOCVMLFIGDN-QFIPXVFZSA-N 425.489 1.849 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1 1301484666 JYYPYMDWCCNMPC-UHFFFAOYSA-N 449.602 1.983 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301500341 LDRMHSUEYDXISW-INIZCTEOSA-N 439.495 1.422 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCN(CC)CC2)C1 1301536352 UVYRQBHNJXQNAB-FQEVSTJZSA-N 445.612 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCOC(C)(C)C 1301566795 CCPZMIZQBLNMFW-UHFFFAOYSA-N 427.571 1.366 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301587613 VWRIHRFWIBATSL-LJQANCHMSA-N 437.610 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301593972 ZEWDTIUMWCUKDV-FRQCXROJSA-N 428.555 1.188 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1301652546 NBYJHHSJUPXGBX-UHFFFAOYSA-N 434.504 1.882 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)C1=O 1302021551 HYBIVIUJSXOHFP-UKRRQHHQSA-N 436.262 1.060 30 10 IDEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2CCN2CCCS2(=O)=O)cc1 1302990002 VAMMSXSSCAHISK-UHFFFAOYSA-N 444.561 1.594 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1314944039 IALMVMXHBMVBPD-QGZVFWFLSA-N 426.521 1.974 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1315032165 AQYXUCIHGZBPLQ-QGZVFWFLSA-N 425.537 1.357 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)F)CCO1 1316540496 KZWGTKRNWVOJMH-LLVKDONJSA-N 426.374 1.257 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)nc2)cc1 1350774750 SWPCUMZSVNRKHF-PGMHBOJBSA-N 436.515 1.550 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1COCCO1 1358991440 AXMBTMOVDIWOKT-QGZVFWFLSA-N 442.545 1.117 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H]1CCSC1 1359300778 KEIASUGVIDOJPK-KRWDZBQOSA-N 442.593 1.696 30 10 IDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1Nc1cnn(C)c1 1359303373 LXPGRBZNXFBBEC-UHFFFAOYSA-N 449.563 1.422 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)C1 1359313632 PFYQLWQIQKTXMR-GDBMZVCRSA-N 437.570 1.068 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1441706978 AYXDUVXYRCRQAC-KRWDZBQOSA-N 436.383 1.838 30 10 IDEE CN(C)C(=O)Cn1ccc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1442845470 JNFQAVPDGMOIDF-FAGJFJLWSA-N 430.509 1.697 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@](O)(CN(C)C)C1 1455061935 YLCCGRQOTCCTAE-GOSISDBHSA-N 426.311 1.623 30 10 IDEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1456988301 ZQABTXUATCKZCN-MJWGMMHASA-N 436.509 1.387 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC(=O)N2C)cc1 1462987393 FMNUGWWESMQYKW-OQKHSGFDSA-N 431.514 1.001 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1469435799 RCSJGUMFKGQHMY-JWZBEHFJSA-N 434.518 1.349 30 10 IDEE C=CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)[C@H](C)COC 1470065331 GPWUCHOZUDKDLE-QBPKDAKJSA-N 430.567 1.706 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C2)c1 1470091340 ZIWAIUPGOLCJDD-UONOGXRCSA-N 432.420 1.412 30 10 IDEE COC(=O)C[C@H](CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1470119800 OICFSEUIDIGFBP-NVXWUHKLSA-N 435.546 1.845 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1501190592 HSBPAKRQEBHKJH-GOSISDBHSA-N 435.532 1.838 30 10 IDEE CN(C)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1503404402 KXFPZRAFFZNZJY-WIYYLYMNSA-N 430.484 1.811 30 10 IDEE CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503699645 UKNOGNGPODEUSE-UHFFFAOYSA-N 446.515 1.571 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1507637465 KHKNLEDXLFHSMU-ZWKOTPCHSA-N 436.578 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2nccn2C(F)F)CC1 1507737954 DOPCDZKALFKGJD-HNNXBMFYSA-N 433.463 1.388 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507783443 CTOSOOKMQFGNPG-OLZOCXBDSA-N 446.371 1.051 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1508088153 WTMHJZSHNMCSLS-UHFFFAOYSA-N 439.564 1.520 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1508122025 HIMSOYQORFEUPD-PWRODBHTSA-N 432.613 1.837 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnn(C)c1C 1508144296 SWGGJOZJDMLSGP-UHFFFAOYSA-N 446.581 1.419 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1508786121 ZQFVTECWHHJRLC-XXBNENTESA-N 438.532 1.709 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)on1 1511961860 IDQHVRWDIYGLFU-UHFFFAOYSA-N 437.504 1.842 30 10 IDEE COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1519403129 DLKBOTNBFJJKPZ-GOSISDBHSA-N 433.534 1.351 30 10 IDEE N#C[C@@]1(C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)CCCOC1 1531137595 CUTGCXPVSYMSCC-SFHVURJKSA-N 428.461 1.620 30 10 IDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1c2ccccc2C[C@@H]1C 1533140050 PANZRVHRBXCLCY-KBPBESRZSA-N 426.498 1.208 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1539013157 IAAWAKRTUOQZKE-LSDHHAIUSA-N 432.502 1.446 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539044771 HRYQGOYOHNJQNI-OAQYLSRUSA-N 429.525 1.034 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1539350258 FVGUCKAFXBDSJF-IVZQSRNASA-N 430.505 1.970 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@]2(C)CN(C)C2=O)n1 1539423688 CKRJRGFXKKOGPA-DEOSSOPVSA-N 447.543 1.906 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1539752533 QWGOZWHQBPJWRP-UHFFFAOYSA-N 431.512 1.896 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1540037744 QMJSDMIQEGWFPA-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540864712 IZPQSRQIRMZAJI-CABCVRRESA-N 435.550 1.514 30 10 IDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1555986432 KVIQTIMPTQGGPU-GJZGRUSLSA-N 447.421 1.210 30 10 IDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1555992908 DPNXJDXIVZERQV-HZPDHXFCSA-N 428.459 1.928 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1558124029 XWZSGWBCYDBIFG-QKKBWIMNSA-N 447.488 1.655 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1 1562354602 BCYWCIDRMQFXNV-MRXNPFEDSA-N 440.497 1.001 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2ncc(I)cn2)CC1 1564790785 NZNOVQFCSWOIJC-KGLIPLIRSA-N 443.289 1.646 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)N1CCO[C@](C)(C#N)C1)OC2=O 1565378344 MJYRCINQRYZLDH-MGPUTAFESA-N 436.509 1.643 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)nc1C 1565624822 HFSKSUUAHCHNGW-JTQLQIEISA-N 430.581 1.697 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CC[C@](O)(CC#N)C3)ccc2NC1=O 1570695163 NNSRBVACEVUVDL-HTAPYJJXSA-N 428.489 1.955 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1OC 1584308814 XIXPZVISNORONY-JKSUJKDBSA-N 431.489 1.965 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(C(=O)C(=O)OCC)CC2)cc1OC 1586717434 UHNIWSIPGVFKEU-UHFFFAOYSA-N 449.504 1.459 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1587640554 SUOWVWXSPDRARI-PBHICJAKSA-N 437.953 1.771 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1587989659 MAZANRPVPJSGRK-QGZVFWFLSA-N 449.552 1.588 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(OCC(N)=O)c1 1588011971 PYAXWBVMGYLKKF-UHFFFAOYSA-N 438.513 1.251 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588046104 XECYDVMTHFDKMX-PMACEKPBSA-N 439.541 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N(C)C 1588088808 AWCCWLGCMPNZFM-UHFFFAOYSA-N 425.558 1.712 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC1 1588749854 AKNXAFQWQPBWQQ-QZTJIDSGSA-N 429.496 1.728 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1588976275 SWPDLIDLPWFZOA-JKSUJKDBSA-N 439.545 1.349 30 10 IDEE C=C(C)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593684106 SQUCXSROIDVSJN-VGOFRKELSA-N 446.552 1.661 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594520693 BTKSMYYVXIJLIS-INIZCTEOSA-N 438.598 1.473 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1594760501 JVUAJFCMHXIAEY-IBGZPJMESA-N 440.596 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCNC(=O)[C@H]1CC 1595805454 PJLQPGVGJRQDGQ-QGZVFWFLSA-N 435.525 1.324 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595879421 WCJCBTVLAMVXKT-ZBFHGGJFSA-N 446.581 1.723 30 10 IDEE Cc1cc(O)nc(N2CCC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)n1 1595959931 OLMPYNUEUPJTQC-CYBMUJFWSA-N 433.465 1.326 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)cc1 1596419891 GDOVDZKFIRIYCM-CAPFRKAQSA-N 425.532 1.263 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1611286567 IBRGGBQGECAZOZ-MRXNPFEDSA-N 441.511 1.750 30 10 IDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)[C@H]1C 1612836807 GFYNDJJVDVZUHQ-HOTGVXAUSA-N 429.546 1.991 30 10 IDEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)N1CCCC1 1613608583 AUZDIZXTVJEORE-HDMKZQKVSA-N 427.550 1.205 30 10 IDEE CCc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cs1 1613866937 BYBPTKQTLTZGGA-QWHCGFSZSA-N 425.584 1.888 30 10 IDEE Cn1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)n1 1618425477 PVFRBVHFNCAWLL-CQSZACIVSA-N 431.298 1.557 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)cc1OC 1619211114 SKAGHQPJKOYMFV-INIZCTEOSA-N 433.534 1.807 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1619927293 DJFOPKPMWAEQIU-JKSUJKDBSA-N 441.492 1.944 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)OC)Oc3cc(F)ccc32)c1 1628255007 KPTLJICTHUJCQF-GOSISDBHSA-N 432.429 1.318 30 10 IDEE Cn1c(S)nnc1CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1628536986 HRPJQAHEFGNCQU-LQZXRHCMSA-N 434.566 1.939 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1628543670 XLYVDQQKEXJYJE-BMFZPTHFSA-N 439.331 1.275 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)c1 1631924758 MXZUZCUTENCNRU-QGZVFWFLSA-N 427.486 1.688 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 1632218797 KGGOZLFGXQECQE-NSHDSACASA-N 444.332 1.835 30 10 IDEE CCN(C[C@H]1COc2ccccc2O1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1632602246 HSUHLTJTJJPOML-HNNXBMFYSA-N 429.498 1.804 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)ccc1F 1634681489 NNGVOIWXAGSFIO-HDICACEKSA-N 438.569 1.578 30 10 IDEE C=CC(C)(C)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1636510840 BNFVCHSOTSOIJI-CQSZACIVSA-N 435.468 1.946 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1639557661 RCPFBZIWDQNPFV-XKQJLSEDSA-N 428.938 1.580 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)ccc1C 1647980631 GJSHVPWHTOWEGO-NRFANRHFSA-N 427.530 1.794 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2CC2CCOCC2)s1 1648375145 HGOIGLAGTCOLIQ-MRXNPFEDSA-N 428.576 1.799 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)N[C@H]4CCC[C@H](O)C4)C3)cc2C1=O 1651502624 LYEZOANMJIFDRN-SQNIBIBYSA-N 439.512 1.741 30 10 IDEE N#Cc1cn(CCC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)c(=O)nc1O 1653069437 NEEKTZXKHGICOV-LJQANCHMSA-N 447.289 1.483 30 10 IDEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1654036866 NXEAVWYUPRLNDZ-HNNXBMFYSA-N 427.929 1.657 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 1656067967 MVTHNRSBCXSEGE-UHFFFAOYSA-N 434.967 1.519 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)cc21 1674679516 MXCCXVGJROLYKU-GOSISDBHSA-N 433.534 1.881 30 10 IDEE Cn1cc(C(F)F)c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1684799000 RXQPJKDCTPFQAF-UHFFFAOYSA-N 438.460 1.445 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1685264389 INNGGOXIUHQCOR-HNNXBMFYSA-N 426.489 1.078 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1689873275 CPSWSWHLGLUAGK-IBGZPJMESA-N 441.580 1.900 30 10 IDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1689931693 FRWZJMKLNGIVPJ-GOSISDBHSA-N 437.610 1.911 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1689977676 ALJRMXICGHDFOJ-JKSUJKDBSA-N 439.607 1.186 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689994250 VCQOYFWMKHEAAG-PXNSSMCTSA-N 438.619 1.506 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C 1690037244 RLSWMLGYXQQJFS-HTAPYJJXSA-N 442.541 1.351 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690115451 GVJBWNBQJSXYBK-NRFANRHFSA-N 446.603 1.598 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nc(C)c(C)s2)CC1 1690134892 JJNQVVKNMCLTAA-HKUYNNGSSA-N 430.578 1.879 30 10 IDEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690330197 CSDJEOMFPLCGTF-KBPBESRZSA-N 448.886 1.457 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1690643484 CEVVBZNKTZJSDW-APWZRJJASA-N 449.577 1.960 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1690662637 BVMJJLUHBATTIC-NSHDSACASA-N 437.323 1.800 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CC1 1690719518 NZBNTWUZJVMVPA-UHFFFAOYSA-N 428.522 1.368 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)c1ccco1 1696838895 IAAFRSKRUMUHDR-FQEVSTJZSA-N 429.502 1.798 30 10 IDEE CO[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697118986 GHXYXYRICRGVPG-DLBZAZTESA-N 433.520 1.676 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697856572 JWIJJDPFGXJMCB-WPCFFEEUSA-N 444.536 1.909 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(COC)CCOCC1 1698136549 YPBLAORPOXCQED-JXFKEZNVSA-N 425.505 1.887 30 10 IDEE COCCOCCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698220989 PSOOKDQMVKTUFZ-GOSISDBHSA-N 428.493 1.718 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1705489426 PETNOQMRGVUGQW-VFNWGFHPSA-N 427.530 1.444 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1705659513 YWEPXDDWGHHDBC-QGZVFWFLSA-N 432.594 1.728 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1705735327 NRRFHXQRSVDHIF-SFHVURJKSA-N 429.525 1.441 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705757875 AXNJYNUWINUZKQ-UHFFFAOYSA-N 432.916 1.413 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705784218 MEJJNUUAUNFHRI-FQEVSTJZSA-N 434.566 1.092 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2Cl)CC1 1705901647 RUXWSZNIJZWREB-INIZCTEOSA-N 443.939 1.511 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)C1 1705925244 MWSWELMOXNGKHP-GOEBONIOSA-N 440.957 1.512 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705934831 YKPXDFYDOFQVJY-HNNXBMFYSA-N 441.579 1.119 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1706069797 HPKOPKXGXXSXOG-LSDHHAIUSA-N 434.566 1.760 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1706075395 NEQJKZZLBPXSPJ-HTAPYJJXSA-N 440.552 1.853 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CCO1 1712287302 FXGYHOLJXKRHER-GOSISDBHSA-N 426.521 1.973 30 10 IDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCOCC2)CC1 1712881661 CTZSAESSXOCGPC-UHFFFAOYSA-N 438.536 1.778 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCC2)c1 1722310097 SKIJMGOFKDYEBJ-FQEVSTJZSA-N 449.559 1.771 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC[C@@H]1C 1722425232 RLCYEMYHTCUUTK-FQEVSTJZSA-N 449.559 1.938 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCO1 1722446661 HHXFQCPKYXOAKE-QGZVFWFLSA-N 436.516 1.847 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1722693465 OXPRPMKGUHCTCZ-UHFFFAOYSA-N 428.518 1.391 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1722869920 RJPYOHFZGXRYSZ-IXDOHACOSA-N 446.581 1.179 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1730553738 PTVSGTXGRBDYAX-SFHVURJKSA-N 447.561 1.741 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H](C)O1 1730592812 GMZHMTNJFVHBNN-AYOQOUSVSA-N 438.532 1.972 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)c(F)c1 1740599454 AWWDVKNYOQSMPD-CQSZACIVSA-N 445.524 1.639 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCC1 1740664373 NQFGSOHIRSNCFV-UHFFFAOYSA-N 431.562 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)C2CC2)CC1 1740705222 DEDQHQIZKCEFBX-GOSISDBHSA-N 428.537 1.012 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(N)=O)c1 1740724095 XZYNFRQZWCXRKX-HSZRJFAPSA-N 436.516 1.419 30 10 IDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740807023 MMKQJGMOJADXTP-HUUCEWRRSA-N 434.880 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740957968 FXZHCUKYOPPXAB-KRWDZBQOSA-N 441.492 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740987897 ZUYCQUFRYNILIA-RDJZCZTQSA-N 449.964 1.914 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1741391460 IJOLVQIMFZWBPS-KUOYXJDGSA-N 427.509 1.380 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1747730756 NCFDNZHHWMHDOB-IBGZPJMESA-N 438.532 1.962 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1748671663 MEKSYPLIFDUBJR-UKRRQHHQSA-N 447.952 1.577 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748811663 JWYZYYPIJGZTHQ-QGZVFWFLSA-N 430.578 1.395 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748817243 HJKVAAXRZRIFJL-ZWKOTPCHSA-N 433.578 1.999 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748820745 IHVBMMVVMHEJSQ-OALUTQOASA-N 446.577 1.193 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2COCCO2)n1 1748970472 FYVDUKRRWZXHBO-SFHVURJKSA-N 425.493 1.171 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2)CC1 1749003774 VJUKIYUQHZGXLC-DEOSSOPVSA-N 437.544 1.944 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCN(CC)CC2)CC1 1749286294 HNBLGYYVRRXKCU-SFHVURJKSA-N 439.630 1.072 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1749411666 CPMCZXYRKRPGGC-OAHLLOKOSA-N 426.587 1.596 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1749450547 LDCLRIPAGZMHJO-UHFFFAOYSA-N 427.509 1.577 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749452432 ZORFJDPDDPNBCV-QFIPXVFZSA-N 441.536 1.691 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749676151 GTSYRTLYIMHIKM-QFIPXVFZSA-N 436.520 1.052 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1749683587 YLGYGDPUZJMBRB-HXUWFJFHSA-N 440.548 1.905 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(O)CC2)C1 1749717086 GPVPPAGMHYYWSV-LJQANCHMSA-N 432.569 1.029 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(C)C)C1 1749723582 AJROVJUHQASXJH-HZPDHXFCSA-N 447.627 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749730486 GBNYSEOWEDVOQM-INIZCTEOSA-N 432.550 1.465 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccccc2CC1 1749731478 FFOZFNZBPZWQJZ-GOSISDBHSA-N 429.546 1.435 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1749739612 HRBRVWIPQDTDOR-QFBILLFUSA-N 428.555 1.146 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1752550767 FQJHRFSSEZQGHQ-VPKVUBIPSA-N 426.521 1.565 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760144703 YVJUSXIQXZLLHN-UYAOXDASSA-N 443.596 1.209 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760181986 GIKFJFOSSCSYCS-KRWDZBQOSA-N 437.610 1.851 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1760184204 GVCVNQQSAAZVRF-DYESRHJHSA-N 427.530 1.050 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760185934 HEDXDVDDMIHKEI-CABCVRRESA-N 430.521 1.918 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN1CCCO 1760196334 RXTFLXZPDRQAMF-KRWDZBQOSA-N 445.365 1.955 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(C)CCOC)CC1 1760258192 HYHLAHJEHMDMLU-UHFFFAOYSA-N 440.548 1.397 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1760260109 VZVSSICIVYENIM-ROTAYESASA-N 441.601 1.854 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760316726 WHXCRNHHDKHVGW-OALUTQOASA-N 441.598 1.445 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1760406975 QQMUBXLSGSNWPM-AWEZNQCLSA-N 428.603 1.842 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](CC(N)=O)C1 1760519652 KVCGDUYRSBMPBA-MRXNPFEDSA-N 433.516 1.887 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760526347 LOWIFTIKUXWKBD-MJGOQNOKSA-N 438.532 1.430 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1760527839 KFZFPDZWNCSSIO-HNNXBMFYSA-N 444.561 1.596 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760532069 KANRMTZHUTZFEX-HXUWFJFHSA-N 434.500 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1760552398 MHNVVONAZYHBNU-UHFFFAOYSA-N 446.577 1.333 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760557150 BGTCXHNAOINOHE-HXUWFJFHSA-N 437.566 1.643 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1760688721 NFWZKXFZZQUQED-INMHGKMJSA-N 431.566 1.999 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCn1ccnn1 1761465503 DGUGNTCZOIHGCQ-HNNXBMFYSA-N 443.537 1.078 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1763201081 GANSWBHGPRUIFK-GOSISDBHSA-N 442.545 1.356 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H](C)O1 1763498497 PPVAXFSQBHIEGI-VQIMIIECSA-N 447.561 1.882 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1767855699 BVOUZZACWOPFOR-QGZVFWFLSA-N 442.904 1.502 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCCCC1 1770218709 ZJEPVQYRMUKRNT-WCIQWLHISA-N 432.569 1.853 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCCN2CCCCC2)CCO1 1770747082 LQFSBRHCZSHGSQ-LJQANCHMSA-N 429.569 1.899 30 10 IDEE COCCOc1cc(C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1771235022 YDLPZEKLVOPCEI-RTBURBONSA-N 427.505 1.893 30 10 IDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cn1 1772880018 RHIIAIWLIVYYAD-RTBURBONSA-N 435.488 1.442 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)CC1 1849764695 CKSXJOMLHBWTLZ-UHFFFAOYSA-N 444.557 1.742 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1851271201 XQOCVHZJAJPLFI-UHFFFAOYSA-N 436.896 1.978 30 10 IDEE CN([C@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccc(C#N)cc1 1855336710 IETJIQHDDRCMFV-KRWDZBQOSA-N 425.466 1.697 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cncc4ccccc34)C2)CC1 1857040496 FDPFFXCMWMWGRC-QGZVFWFLSA-N 426.498 1.789 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)CC 1857346371 AOHBFVOYKGJDHJ-RDTXWAMCSA-N 433.530 1.556 30 10 IDEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)cnc32)cc1 1870102306 LEEWBHKVDSRYNV-UHFFFAOYSA-N 429.396 1.275 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 1984785803 HFLURJZRCIWHIZ-ZUOKHONESA-N 425.482 1.483 30 10 IDEE O=C(CCOCCOCCNC(=O)O[C@@H]1CCC=CCCC1)ON1C(=O)CCC1=O 2080345211 OZJPTSMKWMJDKL-MRXNPFEDSA-N 426.466 1.632 30 10 IDEE Cc1sc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(C#CCO)c1C 2237677751 BNDVUCVIQZJSLD-UHFFFAOYSA-N 446.550 1.814 30 10 IDEE COCCN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247882716 UBHUCPXJXWFXHW-UHFFFAOYSA-N 435.355 1.557 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406191 ZLRYOAHYVRDDST-QWRGUYRKSA-N 442.322 1.545 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255626375 FVPLCHAURMGZQW-KCQAQPDRSA-N 432.330 1.694 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2255631964 GVQVEHMUBYCCEQ-UHFFFAOYSA-N 430.236 1.240 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255633799 HTHDVOBIDWEUCN-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]12CCN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255835265 UFMUYXJMGSDAHK-NRFANRHFSA-N 432.330 1.934 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267266832 SNWVYDFHWQUKTQ-HOTGVXAUSA-N 447.341 1.745 30 10 IDEE Cn1cc(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2267494132 PQWGXUONFGBCAL-ROUUACIJSA-N 436.365 1.970 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267566860 FSDKOOLCZOXGSP-UHFFFAOYSA-N 449.357 1.663 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268628218 DYZNRWXAYDEZRN-GDBMZVCRSA-N 447.341 1.937 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 440374676 BNTFDHRQTFVJEI-SFHVURJKSA-N 439.537 1.017 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)n[nH]1 443337554 XPMJVPYTJZTPNO-UHFFFAOYSA-N 437.382 1.166 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](c2cccnc2)C2CC2)CC1 445821864 YWVDLGJASLNTBD-JOCHJYFZSA-N 439.541 1.527 30 10 IDEE CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)n1 480715128 IBIVBXBDOZFYHB-CQSZACIVSA-N 437.497 1.825 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCCO)CC1 502869386 GFMMMEIJGNKPNR-IBGZPJMESA-N 443.573 1.563 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 506211470 SIKUSXMRZDLJSK-QFIPXVFZSA-N 429.521 1.661 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)NC(=O)NCc2ccc(C)cc2)CC1 512710238 PGSPVFHHTMKVQL-NRFANRHFSA-N 443.592 1.655 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@H]2CCCO2)c1=O 512721408 VDXQIQUNRHYEBV-GOSISDBHSA-N 434.521 1.691 30 10 IDEE C[C@@H](C#N)CN(C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C1CC1 513919300 XBSAKPQXISJOHO-DZGCQCFKSA-N 440.547 1.308 30 10 IDEE CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cc(OC)cc(C)n2)c1=O 540698098 MJKFBWZGSCFLOP-UHFFFAOYSA-N 434.521 1.808 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)CC1 540706883 VNNKZMRLSVRAQQ-NFBKMPQASA-N 440.544 1.194 30 10 IDEE Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 585478059 DAQZBEQYTSQFJT-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCO2)CC1 670304211 CTQDUJLYPSLOLR-SFHVURJKSA-N 440.548 1.557 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140084 UOWXDCUOJOPVIG-WMLDXEAASA-N 444.561 1.082 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](C(=O)N2CCCC2)C1 732177707 YEARKXGTEOWXSL-INIZCTEOSA-N 432.546 1.366 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2ncnc3sccc23)CC1 732465766 IDSIRTFKGFBOGJ-ICFOKQHNSA-N 427.490 1.049 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795810 ZJRLQGACOFGHOF-UHFFFAOYSA-N 428.558 1.986 30 10 IDEE C[C@H](CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1cccc1 735139848 MQPUGKBIPGJPJE-QGZVFWFLSA-N 444.513 1.387 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CC1 735876616 KYLAAIQMYQQKHR-UHFFFAOYSA-N 442.560 1.495 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 746639438 YMUMQCMYIQQQJJ-NSHDSACASA-N 426.394 1.425 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 750433337 YFOMILNWTVIKNG-QGZVFWFLSA-N 432.523 1.921 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 757810930 QVIPLAKNUNHLCP-KURKYZTESA-N 432.587 1.456 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2C(=O)c2ccccc2)CC1 772692028 ORLRKUVZVCSGSQ-UHFFFAOYSA-N 439.537 1.363 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774249283 XSUDJDVUZJELKS-GDBMZVCRSA-N 443.447 1.643 30 10 IDEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccco2)CC1 780180559 SRJLEMWVTTWIKH-OYHNWAKOSA-N 447.488 1.757 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C#C)c1 784123399 COPUJQVIVXQOQG-LJQANCHMSA-N 426.542 1.317 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 794607635 BZCPPBSSUHTACF-QGZVFWFLSA-N 431.473 1.862 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)OCc3cc(O)n4ncc(C#N)c4n3)CC(=O)N2C(C)(C)C)cn1 796424348 LPBYAIBMSCRCBF-CRAIPNDOSA-N 437.460 1.472 30 10 IDEE Cn1cnc2c1c(=O)n(CCCOC(=O)C1(c3cc(F)cc(C#N)c3)CC1)c(=O)n2C 803924640 UGGRLKJBNZSNRE-UHFFFAOYSA-N 425.420 1.110 30 10 IDEE N#Cc1nc(F)ccc1OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 808048160 KNVLVRAMPWEXRL-JYRVWZFOSA-N 430.461 1.616 30 10 IDEE C#CCN(c1nnc(COCc2ccccc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812287687 ZPCDBOZRNLTSPM-UXHICEINSA-N 444.557 1.801 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)c(OC)c3)n2)o1 1084203258 KVXNVSYXIMSLCZ-UHFFFAOYSA-N 446.493 1.622 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1134053503 XXUCRHXSTCYPOI-YTQUADARSA-N 441.475 1.838 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1135509538 VRPHJLABEWPRTG-AUSIDOKSSA-N 428.533 1.963 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cccc(CNc4ncccc4C#N)c3)C[C@@H]12 1147714770 GEVGIXPMOSNGSE-OTWHNJEPSA-N 426.498 1.449 30 10 IDEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CC(O)(CC#N)C3)C2=O)cc1 1169629225 OLJTXIYYGVTUMF-GZTJUZNOSA-N 444.513 1.198 30 10 IDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CCCC1 1179422947 LUTVIEJVSXFTPK-UHFFFAOYSA-N 437.518 1.747 30 10 IDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1235528681 HBOIOQXGFZEOPE-FQEVSTJZSA-N 439.541 1.929 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C#N)c(C)n1 1248621077 AWHCYZYMOORNGV-ZDUSSCGKSA-N 446.485 1.705 30 10 IDEE C[C@H]1CN([C@@H](C)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1277542650 VFIUBBITMJVZBF-GGXPGOJBSA-N 427.505 1.377 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286336247 HQQKDFDSZAYURP-HNNXBMFYSA-N 427.534 1.287 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1286393351 KJCSHHZIHMIPFY-QZTJIDSGSA-N 430.578 1.562 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286397275 YSAMCTWCYZRZRY-IBGZPJMESA-N 449.621 1.894 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C1CC1 1286410177 XNESIJDFRZVNEH-KRWDZBQOSA-N 429.528 1.748 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1286412280 GCSZLFCHVWFHDB-VXPUYCOJSA-N 435.513 1.233 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2cnn(C)c2)CC1 1286474880 SUDKTJMQLHZBAL-UHFFFAOYSA-N 435.532 1.889 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1286507913 DBJLZEQXQBFIMK-MRXNPFEDSA-N 436.607 1.533 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1286727614 VNVBNDLCKLKVEF-JKSUJKDBSA-N 425.555 1.050 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(Cn2cncn2)CC1 1286784913 YAMSZGUFBQVSAV-UHFFFAOYSA-N 436.520 1.764 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286788701 CQYUWLWBLVSJBO-UHFFFAOYSA-N 430.472 1.101 30 10 IDEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1295794384 DQXAIMNMWSXZQK-NRFANRHFSA-N 429.546 1.993 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 1298540013 WIPAUBMCFLVWFQ-WMZOPIPTSA-N 434.334 1.420 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1300479837 SQZXNNQYEHEXAO-QGZVFWFLSA-N 448.549 1.168 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300495646 IZGWLBHKFAQXMI-RTBURBONSA-N 435.594 1.285 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1CC 1300657064 FTPYRQUTKSCVLG-UHFFFAOYSA-N 447.341 1.792 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCN(CC)CC1 1300813222 DTVADGMBVIICRT-GBXCKJPGSA-N 441.624 1.666 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301047573 KRKLEZCIERIYPA-CQSZACIVSA-N 435.941 1.859 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CCC2)CC1 1301125995 RJLDPQMVNIECJB-CHAGWJKLSA-N 426.608 1.884 30 10 IDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1301435527 ALOXSQCAMMFBTL-UHFFFAOYSA-N 431.493 1.628 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1301952160 HTFREESVZBCLMT-OLMMMNRUSA-N 440.570 1.212 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3cc(C(=O)OC)on3)CC2)cc1 1302884411 IKILPOVKLJRFLO-UHFFFAOYSA-N 433.486 1.945 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 1313280099 NFJQEMQTRJPCIQ-UHFFFAOYSA-N 437.541 1.464 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1315800337 XFOCXGAQZFGMLF-RTBURBONSA-N 441.536 1.427 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1316168225 XCMYGKHKTFRPDY-OAHLLOKOSA-N 425.555 1.709 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 1349457536 VTYUNCDEMYNBCS-UHFFFAOYSA-N 426.458 1.566 30 10 IDEE CS(=O)(=O)Cc1ccccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1356137438 PAKIGRJMBUMKOU-SFHVURJKSA-N 440.481 1.947 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358958630 SFOFWOHJZMJUMC-QAPCUYQASA-N 446.533 1.430 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1358959747 PDDYTLWMSKABQY-SFHVURJKSA-N 442.541 1.927 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358967697 QHJDJLYBECKFLW-QUCCMNQESA-N 445.589 1.966 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N(C)C)CCSC1 1358999506 UCMAHIBUDWQZFX-IPJJNNNSSA-N 431.606 1.902 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1359024328 KULHXAASXACVBM-DLBZAZTESA-N 445.486 1.869 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccncc2Cl)CC1 1359044700 MFJQRCJHZGFLGG-QGZVFWFLSA-N 428.924 1.845 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359084193 ZZUOWZZFUJERDO-QWHCGFSZSA-N 433.372 1.950 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359301605 DFXHNBNBCIAFDT-OALUTQOASA-N 447.486 1.834 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1359472726 PMQKBAFAAXGJBF-HZPDHXFCSA-N 437.504 1.593 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1449819088 CPCKEAXLCSUNRD-LBPRGKRZSA-N 429.470 1.081 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1468149245 FNVQKHZYADKYAD-GOSISDBHSA-N 428.533 1.875 30 10 IDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCCC1 1469872952 XYTGTVWALCYKCO-SFHVURJKSA-N 446.529 1.946 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1471251201 NZBFXYCJHZAFEY-UHFFFAOYSA-N 441.815 1.552 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O 1474858617 KADONXUAUAZIPS-GFCCVEGCSA-N 436.338 1.410 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1C 1492394648 PQGQKYIHMOZUFC-GOSISDBHSA-N 448.549 1.142 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1503273245 OBKYZTZYKDLQHW-UHFFFAOYSA-N 430.534 1.250 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1504648269 IFAJQAMIUDJWKW-UHFFFAOYSA-N 434.504 1.774 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)(F)F 1507644406 GXIOANKHAAIOGP-UHFFFAOYSA-N 435.406 1.714 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507732622 IKMHEQBNBVYNRO-QWFCFKBJSA-N 442.608 1.867 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1508098220 YRSNVCYRSIXYFP-GOSISDBHSA-N 441.492 1.667 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2cc[nH]n2)C1 1508130232 TWDKBCPOISWYKB-KRWDZBQOSA-N 439.495 1.942 30 10 IDEE CC(C)(O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1508719745 VJSKMPJEUCSSHN-SFHVURJKSA-N 447.499 1.930 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1509648240 IYTFEXOUIUDZSU-ZZEZOPTASA-N 435.488 1.637 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1516732580 JDVSCHVSVOKHBB-GOSISDBHSA-N 437.504 1.620 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C[C@@H]1C 1517702198 LCIGEAJHHFAHNT-WCJKSRRJSA-N 440.504 1.634 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)C1 1521063494 RXZBNOURYZLKPA-FXAWDEMLSA-N 433.509 1.839 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C)C1=O 1538983435 RWXODLGOYHLMLZ-QVKFZJNVSA-N 444.561 1.132 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1539011499 CANOSWRGBIVENZ-PXNSSMCTSA-N 445.589 1.874 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1539155145 SXIZTMZQUBOIGL-QFIPXVFZSA-N 427.505 1.301 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1539206761 VUTSCSDCWMYLEY-OAHLLOKOSA-N 443.451 1.598 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539223226 ZQFUMBYKRKADSW-IAGOWNOFSA-N 426.608 1.798 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539225896 SATZVAGZWYCCDF-ICSRJNTNSA-N 442.589 1.375 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(=O)N(C)Cc2ccccc2)CC1 1539444177 IEYPGQADJWYHIL-UHFFFAOYSA-N 429.528 1.754 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1539477113 IMLBKYYMLPBCSY-UYAOXDASSA-N 437.548 1.762 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C(N)=O)cc3)CC2)cc1 1540647637 DIZFOWOXVJOBKX-UHFFFAOYSA-N 426.498 1.123 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CCc2ccccc2)CC1 1540869012 ZFBWPRCDJXLRIR-UHFFFAOYSA-N 432.532 1.402 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540898071 ZBNHKQPCMSOHBW-MRXNPFEDSA-N 449.581 1.135 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1540902807 QYYSFARPMNZBJF-KRWDZBQOSA-N 434.566 1.933 30 10 IDEE Cc1cc(F)ccc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1542222538 HUKFJCKOZVSTIS-RHSMWYFYSA-N 436.513 1.307 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)C#N 1548336578 ZFPCYTDGXAILKH-CYBMUJFWSA-N 425.946 1.919 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)CC1 1558073042 JUJBYKGVVXMQPD-SFHVURJKSA-N 428.558 1.940 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1 1559315332 QWVNZKWWGLICIE-QFIPXVFZSA-N 434.408 1.512 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1585451659 DTUREWQFVDMIPS-FQEVSTJZSA-N 441.509 1.634 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(C#N)nc1 1585725398 IJCUAHINOWUBGC-ZBFHGGJFSA-N 440.422 1.876 30 10 IDEE N#Cc1c(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)nc2n1CCOC2 1586255163 WANPCPDBPAQJQX-UHFFFAOYSA-N 444.245 1.672 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1587598914 IXBSZCCYYQBXJT-HNNXBMFYSA-N 448.545 1.360 30 10 IDEE C#CCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1587893905 KCOCVNGBERVNIC-VGOFRKELSA-N 444.536 1.110 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC(OCC)C1 1587969785 FTYPLWBUXVBRCV-UHFFFAOYSA-N 432.550 1.238 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1588030400 ULFLSTFDIIESIB-SFHVURJKSA-N 435.594 1.821 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1588050289 QLVLRZQEMFZUBE-MGPUTAFESA-N 445.570 1.869 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588069162 IMCLLTNWRBKAOD-SFHVURJKSA-N 444.557 1.707 30 10 IDEE CNS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)s1 1588141959 KHGWDMBIZBDMJN-UHFFFAOYSA-N 431.492 1.023 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1588764680 CPLVKVVQVJKLBC-MRXNPFEDSA-N 428.551 1.603 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)CC1 1588811257 DLBAFQFVSFXXSK-HXUWFJFHSA-N 429.613 1.301 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1589047756 IGTAWKLYRDHSGM-UHFFFAOYSA-N 431.566 1.024 30 10 IDEE C=CCCOCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1594830294 VMILIRIDMLBZCN-AVRDEDQJSA-N 435.569 1.968 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N(C)C2CCCCC2)C1 1595744313 LHMBIRAXLWZBQT-IBGZPJMESA-N 444.580 1.973 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595884996 YHQHSCAOGFBKPQ-KFWWJZLASA-N 441.579 1.034 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1607715423 UMGLSICLBDLCHC-WPCFFEEUSA-N 444.536 1.907 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@H]1N1CCOCC1 1612917515 MISCPMKBNNJXAW-GHTZIAJQSA-N 440.548 1.373 30 10 IDEE CCOC(CNC(=O)[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)(OCC)c1ccccn1 1614589756 FBLYAVFZFIIXLJ-OAHLLOKOSA-N 446.529 1.551 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1617249533 DPRCPHUQSGHINW-UHFFFAOYSA-N 430.534 1.308 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)n2)cc1 1619239492 FZPMOQMQNDNNEU-FQEVSTJZSA-N 436.520 1.562 30 10 IDEE C=CCN(C)CCN(CC)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1626754351 FXBPEVAHMZFHQY-OXQOHEQNSA-N 429.583 1.234 30 10 IDEE C#CCN(CC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)C(=O)OC(C)(C)C 1627051920 IUHUFHOLUPYEGK-GOSISDBHSA-N 445.516 1.791 30 10 IDEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1628849665 LAFFGIQWRHVLCS-ZDUSSCGKSA-N 442.324 1.981 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCN(S(C)(=O)=O)CC3)C2)C1 1629405051 SGTRQSCUHGQHFC-NGEICVOHSA-N 440.566 1.267 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1COCCC1(OC)OC 1629922744 NZEABYYDXDSTEC-DOTOQJQBSA-N 439.534 1.178 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)c1 1633831879 ZYEDSPHOECIXNF-UHFFFAOYSA-N 435.483 1.129 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 1634408526 IXTACRJWAMNFPK-SJLPKXTDSA-N 435.546 1.707 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)C1 1635487449 KCYBQUWWXMGOBI-VGSWGCGISA-N 439.903 1.793 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1638836842 OYNZYBUUGNQIAH-CYBMUJFWSA-N 441.481 1.489 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(N4CCN(C)CC4)CC3)ccc2c1=O 1641805745 FFVUNHKMGSZZLF-UHFFFAOYSA-N 427.574 1.723 30 10 IDEE C#CC[C@@]1(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1643551820 IEAWTDHZKWIEPN-YKSBVNFPSA-N 448.608 1.692 30 10 IDEE COc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1S(=O)(=O)NC1CC1 1646251196 UXXHVUKTGZWWTA-UHFFFAOYSA-N 432.527 1.850 30 10 IDEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1646439755 QNQJJMSORKDPLO-VPWXQRGCSA-N 436.509 1.190 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@](C)(CO)Cn1cnc2ccccc21 1648711032 AIWDEMNWNOOQPA-VFNWGFHPSA-N 441.513 1.142 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 1653252329 ZFRWKDZEUMHWCC-RBUKOAKNSA-N 446.548 1.651 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)c1 1653516146 MQFPTGVUGXUYAM-MRXNPFEDSA-N 440.504 1.614 30 10 IDEE C#CCC1(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCCCC1 1654888976 NAAFCHATSYWGJW-UHFFFAOYSA-N 449.573 1.970 30 10 IDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@H](CS(C)(=O)=O)C1 1660391556 DACBWNSNBIRLII-KBPBESRZSA-N 425.576 1.961 30 10 IDEE N#Cc1ncccc1S(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1663983847 FHPAKTYSNXAREH-LLVKDONJSA-N 428.283 1.984 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1684753752 UQQRKVUAMYCWOL-IBGZPJMESA-N 439.541 1.465 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](F)COC 1690091189 LNHGBHOGPALTTM-AEFFLSMTSA-N 438.500 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccco2)CC1 1690137137 OIOFTYVGHVTTRB-UHFFFAOYSA-N 433.472 1.533 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1690177576 ZMZXQAAUKCIHFQ-LJQANCHMSA-N 443.573 1.585 30 10 IDEE C=CCCOCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690512297 TVCXIOLBEUXOJF-IBGZPJMESA-N 428.555 1.146 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1690565445 JYOKUDVMINTEQT-SIKLNZKXSA-N 445.589 1.439 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1690996233 XYJGQLDFIDTFMM-WMLDXEAASA-N 447.521 1.873 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1692657796 IAYNOXXUKDQILH-OAHLLOKOSA-N 425.518 1.969 30 10 IDEE CN(C)[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CCSC1 1696606195 BWSGCNYOPSDARE-NRFANRHFSA-N 431.610 1.968 30 10 IDEE C#CCCCCn1c(N2CCC(C(=O)NCC#C)CC2)nnc1[C@@]1(OCC)CCOC1 1705522031 SSAVINOXEFIFQY-HSZRJFAPSA-N 427.549 1.700 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705524461 MDGIEQXDBRZBQG-INIZCTEOSA-N 436.582 1.141 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1705532797 QVQUCFNGEYRYRE-FQEVSTJZSA-N 443.573 1.628 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC1CC1 1705545308 VVAKAWUYFFXGHT-UHFFFAOYSA-N 436.559 1.243 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705559576 CWQOAPZRGQFTST-JKSUJKDBSA-N 442.607 1.386 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705563808 FZFKNWQLADYVLQ-QGZVFWFLSA-N 444.586 1.918 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2cccn2)CC1 1705635011 OUSKLUSNDQJLOL-JOCHJYFZSA-N 427.553 1.361 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705811597 GLTPVJMTMJQOAW-JSGCOSHPSA-N 425.515 1.124 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1705834358 JIRYMZFCNWJWOW-AWEZNQCLSA-N 434.522 1.515 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705901007 XGGNFLYIRRGFQO-CYBMUJFWSA-N 425.415 1.585 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1706072411 CMFMIOAGYJWTDO-ZDUSSCGKSA-N 434.522 1.426 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCOC[C@H]1C 1706315787 HMGZQNSNDQVXCX-ZWKOTPCHSA-N 439.568 1.499 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCOC1 1706662466 ROVAZRLSEWFETE-JOCHJYFZSA-N 426.521 1.915 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(O)CCOCC2)C1 1706932344 HKFTYXDIAHRYNQ-OAQYLSRUSA-N 439.520 1.987 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1708219588 DIGZMODSXORDKD-FVGNFYTDSA-N 437.504 1.406 30 10 IDEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1712171510 LEKNIUAPNYCWIB-ZUOKHONESA-N 429.431 1.618 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCOCC2)CCO1 1712883184 LYJGWTCMIJYTPT-KRWDZBQOSA-N 441.492 1.240 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1722293497 CPYKGBCTGUUXTD-MAUKXSAKSA-N 429.546 1.240 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1722359909 XHEJIECKTHZIMA-QGZVFWFLSA-N 449.964 1.745 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722364481 HKBAAPFVXKUGKF-RBUKOAKNSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC 1722393962 LBFMNQGORMIXGN-UHFFFAOYSA-N 437.529 1.143 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccnn2)CC1 1722693522 QSGYOXHKEXMZTN-UHFFFAOYSA-N 449.475 1.272 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722725445 LVMJJWNOTZUFIG-KRWDZBQOSA-N 431.562 1.911 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1724549869 GSUMHMATOWYKIX-MOPGFXCFSA-N 445.545 1.862 30 10 IDEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1726406132 MLROQQWJQYPSKI-IAGOWNOFSA-N 427.475 1.416 30 10 IDEE CN(C)CCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1729336924 DAGSADLVLKMUTM-UHFFFAOYSA-N 436.564 1.027 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1noc2c1CCCC2 1730763407 GQQLSYMBGRFLCG-UHFFFAOYSA-N 427.509 1.682 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1730887793 LZBWMANYALBRBG-VGSWGCGISA-N 439.520 1.828 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1740616447 BFUQGEIWNAGWIS-NHCUHLMSSA-N 443.573 1.114 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1740705580 JNMJWFNLMPUVFB-HTAPYJJXSA-N 443.573 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740987898 ZUYCQUFRYNILIA-WBVHZDCISA-N 449.964 1.914 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCN(C(C)C)CC2)cs1 1742591298 DZKAYSVFMJEXKX-SFHVURJKSA-N 445.593 1.598 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1748752398 WIKZLDVRIFOAEZ-HOTGVXAUSA-N 448.549 1.678 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748812357 UAJNJRVATZJLGF-LJQANCHMSA-N 444.605 1.786 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1748826514 UVYUCRVNIRQPHX-MSOLQXFVSA-N 434.610 1.472 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748931084 KTUVUNDPFZXTKK-QUCCMNQESA-N 442.589 1.928 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC=C)CC1 1749010440 RXAADFPXXHSNGR-GOSISDBHSA-N 449.577 1.086 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1749129873 HTANNFNXHBXCEV-QRVBRYPASA-N 436.578 1.944 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1749402378 NABPHJOVOUMBMW-KRWDZBQOSA-N 437.570 1.337 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1749411595 ATXJMVGOJUBBEQ-MRXNPFEDSA-N 426.587 1.549 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1749464622 AGIKCRCOLVQULM-INIZCTEOSA-N 429.550 1.804 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749658647 SRVUBDMJMAAVQE-ZDUSSCGKSA-N 441.916 1.663 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749680860 TWHRUSYTNSHPLE-OAQYLSRUSA-N 428.468 1.015 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1occc1C 1760097507 GFFIHEROOOTIJT-CABCVRRESA-N 436.538 1.068 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1760190500 XAAGRGWWBXKODW-INIZCTEOSA-N 426.502 1.620 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760192001 CLDDCZKGCCUNKM-RBSFLKMASA-N 430.477 1.181 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1760195157 XQXIWQXVLNSPBI-IERDGZPVSA-N 446.504 1.180 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1760281677 PQSCNDXASBJORD-ZWKOTPCHSA-N 438.619 1.800 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760286925 AIFFXMFWKXRYKU-ZWKOTPCHSA-N 432.594 1.239 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760453120 OMHXLMOQZXFDKA-QGZVFWFLSA-N 429.525 1.848 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1760492086 FYNZYAIIFKKISQ-UHFFFAOYSA-N 427.505 2.000 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1760514722 LORPAWKEGVVSCF-IBGZPJMESA-N 437.548 1.897 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760528630 IJUIPEJQJNQAEE-YBOAYWMSSA-N 430.553 1.215 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCOC2)C1 1760793206 UPCOEISQZZMVTD-JKSBSHDWSA-N 446.552 1.940 30 10 IDEE CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1766864069 DRJJQNRPJYHSRP-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CN(CCC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1768829978 CLOQXISIMBQYFI-NLPIWRNCSA-N 441.414 1.144 30 10 IDEE COC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1770958807 UYKKLUNCRXKIJC-ZUIHOSHSSA-N 446.552 1.633 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 1851191025 XBZJZJHGDBTFCZ-UHFFFAOYSA-N 448.932 1.746 30 10 IDEE Cn1c(N2CCN(C(=O)c3ccc(-c4ccc(C#N)cc4)cc3)CC2)cc(=O)n(C)c1=O 1851213826 SMGIPDGXNBCOER-UHFFFAOYSA-N 429.480 1.585 30 10 IDEE Cc1cccc(N2C[C@@H](C(=N)NOCCC(=O)N3CCN(CCC#N)CC3)CC2=O)c1 1853566072 KKXXYLGVBTZKNQ-SFHVURJKSA-N 426.521 1.294 30 10 IDEE COC(F)(F)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1854886527 DMCLHVVZJIAZLK-HNNXBMFYSA-N 427.429 1.798 30 10 IDEE CN(C[C@H]1CC(=O)N(C(=O)c2cccc(Cl)n2)C1)C1CN(c2nccnc2C#N)C1 1856278862 WSLFOOIVIAYXET-CYBMUJFWSA-N 425.880 1.206 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)[C@H](C)C2=O)CC1=O 1857468569 FYHVDFRCODQIOL-CABCVRRESA-N 429.908 1.582 30 10 IDEE CCOCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870348751 KZKTZXHWAGGLCD-UHFFFAOYSA-N 429.517 1.512 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCC)cn1CCCN1CCCC1=O 1870524907 TYZQEBVVKAMIOV-UHFFFAOYSA-N 430.549 1.550 30 10 IDEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871507655 SFJXOCPKAZPRDJ-MRXNPFEDSA-N 445.549 1.454 30 10 IDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562852 WGGJSIPMHGEEGJ-UHFFFAOYSA-N 447.547 1.122 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)ccc1OC 1874431229 NQCZWFVNVBZPJJ-SSDVNMTOSA-N 448.549 1.774 30 10 IDEE C#CCn1ncc(N[C@H]2[C@H]3OCC[C@H]3[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2162348596 MCAVQELBQHSDKI-QOWREQOWSA-N 439.310 1.732 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 2247570596 AHPWYQGDPZGFMJ-XXUFKVEXSA-N 437.537 1.780 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247864209 CDHOGVBMJZVROS-KGLIPLIRSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)COC1 2247901084 DWFURWSXLLIHDK-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE C[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247954161 YRJILZYWVVPFCR-HNNXBMFYSA-N 435.355 1.291 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255704169 DGQASVSQTVJPKL-HUUCEWRRSA-N 435.330 1.414 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c2)OC1(C)C 2255707256 UJRFCMVJXZUOPP-STQMWFEESA-N 427.232 1.692 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2256912394 RRYYXDZTBJQEDP-SFHVURJKSA-N 427.310 1.629 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267263721 JNZKYOXLICCLIO-CQSZACIVSA-N 449.361 1.586 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1 2267575889 KIGNRECVLNXIHN-LRTDBIEQSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2267879173 FZILOXHAEACUES-LSDHHAIUSA-N 444.341 2.000 30 10 IDEE C=CCN([C@@H](C)COC)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270495241 YPOYMANGLKEYIH-RDJZCZTQSA-N 428.507 1.307 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCC[C@@H](F)C(=O)O)cc2Cl)OC1(C)C 2284398267 WDTWHWITVUBEPK-SECBINFHSA-N 427.712 1.792 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1NC(=O)OC(C)(C)C 2315530937 BZLPIMNEXMZHOZ-ZIAGYGMSSA-N 434.346 1.705 30 10 IDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2367819367 SIJPEQRNFQLUEK-WOIUINJBSA-N 434.558 1.755 30 10 IDEE C=CCn1c(=O)/c(=C/c2ccc(OC)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2 15905986 KARIBKXYCDWNSC-HYMVUHNRSA-N 433.537 1.974 30 10 IDEE CCC1(CC)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCS1(=O)=O 428698418 DUZJWYRFELXRDJ-CQSZACIVSA-N 427.548 1.041 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 429301709 NYRXFCJMVGMDSF-SJORKVTESA-N 429.521 1.232 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440379114 XYNFTDBSVAVSBK-UHFFFAOYSA-N 443.488 1.655 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC1 443329417 LYORZUSTIZEASU-UHFFFAOYSA-N 445.321 2.474 30 10 IDEE CC(C)(C)[C@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 464712989 RTDCIYMSRGENIS-ZDUSSCGKSA-N 430.324 1.857 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 480929340 GSHXGZKKPWDLIE-ZDUSSCGKSA-N 433.555 1.187 30 10 IDEE COc1cccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2=O)c1 506083155 LCVYTUPRGWOCLQ-MRXNPFEDSA-N 442.497 1.422 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C)CC1 508593040 PFCMORGCCCYGQK-UHFFFAOYSA-N 437.317 1.808 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1S(=O)(=O)NCC#N 511779740 XCBOYUQYADFOIK-GOSISDBHSA-N 426.498 1.722 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 513347645 COAXJRMWCBPMLA-SFHVURJKSA-N 443.525 1.561 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)C1=O 536908865 GIHKBQBCCOYCSP-DOTOQJQBSA-N 436.871 1.707 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 544885602 FKCIIHRYFLKLOM-MRXNPFEDSA-N 442.545 1.796 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)n1 545462116 FNDUIQQPGZMICZ-UHFFFAOYSA-N 425.514 1.700 30 10 IDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)C1 546213055 ORFPVHVWKPPPGK-LJQANCHMSA-N 438.576 1.572 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4COCCO4)n3Cc3ccccc3)CC2)c1C#N 549505121 DOUOACNBTRSQHN-HXUWFJFHSA-N 448.531 1.655 30 10 IDEE CCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2CCCOC)c1=O 559154125 BHFZZYBUWVHOMO-UHFFFAOYSA-N 428.558 1.815 30 10 IDEE C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC(=O)N1Cc1ccccc1 564530853 IEOOTMPLHFORFX-HNAYVOBHSA-N 426.498 1.142 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)CC1 567640770 HTBNSYAZFQDOCE-KRWDZBQOSA-N 443.548 1.034 30 10 IDEE N#Cc1c(CCCN=c2[nH]c(=NCCO)c3ccccc3[nH]2)nn(-c2ccc(F)cc2)c1N 584875495 OUUCLKIJHARUQK-UHFFFAOYSA-N 446.490 1.701 30 10 IDEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)c1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 585831870 ZDPCUCUPLMMFTP-UAOJZALGSA-N 430.464 1.520 30 10 IDEE C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccncc3)N2N1 588226661 KMNNPSJLEUMHOP-MRXNPFEDSA-N 428.315 1.906 30 10 IDEE CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)c2)CC1 614947746 KKXIMJDKQQRMAE-UHFFFAOYSA-N 437.475 1.616 30 10 IDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 729331079 JHWBNKFGANGJSY-SFHVURJKSA-N 440.587 1.299 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730142883 QELCXQCZNWLENK-MRXNPFEDSA-N 439.969 1.476 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CCN1C1CC1 732706919 RPMGPFWBMFPXNW-AWEZNQCLSA-N 434.378 1.893 30 10 IDEE Cc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(Br)c1 732909786 GPURIHQVIIUYOA-ISZGNANSSA-N 425.304 1.737 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C 734291467 JPJPREXRKMKEEN-UHFFFAOYSA-N 439.453 1.646 30 10 IDEE C[C@@H](CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 742608694 BLQYMXZYPAUEQD-UONOGXRCSA-N 438.550 1.923 30 10 IDEE COc1cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1O 742819741 OVHYCDHVOZOIAK-UHFFFAOYSA-N 433.486 1.545 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F 743229425 HMHFXTUGGOLYRZ-CZUORRHYSA-N 431.468 1.711 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)CCOC(C)C)CC1 748147763 GKYSTWRWMFWTRE-KOHRHEQBSA-N 431.555 1.193 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 749863018 VJHUWAKXNBEKGU-CVEARBPZSA-N 436.537 1.712 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 751927127 WVTWVYSFHWSHMQ-CZUORRHYSA-N 437.541 1.268 30 10 IDEE CCOC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755543409 BRPIKOYBGMLFDT-XJKSGUPXSA-N 430.461 1.677 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)cn1 758098370 QXOBBCOTOOKFLL-GOSISDBHSA-N 440.569 1.958 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1 758646345 WMXBIXDPVANANM-OLZOCXBDSA-N 429.520 1.127 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2OC)C1 760311557 QKLRUXKWPWBWMB-CJNGLKHVSA-N 433.534 1.567 30 10 IDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 767363761 WFJXRJMGMXWZBM-ZDUSSCGKSA-N 426.336 1.973 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCSC[C@H]1CCO 769005003 QFHYYULUDIGXPD-OAHLLOKOSA-N 425.576 1.612 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCc2nnnn2C)C1=O 771543194 YOOHAXGLICXAHG-GFCCVEGCSA-N 425.877 1.313 30 10 IDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 775154036 FDUACICHGOFNGN-PYTUNLEBSA-N 426.477 1.134 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2noc(COC)n2)ccc1F 779697637 CWCAAZJTXHDEGL-CQSZACIVSA-N 440.453 1.033 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC(=O)NC2=O)cc1 782558431 NEFOSRFTZMGINN-PUAIJGIWSA-N 435.506 1.206 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)Cc3cccc(F)c3)C2=O)cc1 785248251 AEYCXPPPSOJUTP-QGZVFWFLSA-N 444.444 1.549 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCCOCC2)CC1 787123735 LJNTYSJXBIHDLR-HNNXBMFYSA-N 428.445 1.815 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CC2)c1C#N 788475187 DLTVGJIWNAGPRO-UHFFFAOYSA-N 442.423 1.251 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)nn2C)cn1 790017059 XVKCNZMPKVWLGQ-QGZVFWFLSA-N 446.581 1.145 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cncn1C 796608012 FSPIRTKSAMZRCL-YLJYHZDGSA-N 443.529 1.628 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCCO[C@H](C)C#N 808653996 JRBKQZFJDZUKQU-OAHLLOKOSA-N 425.507 1.107 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 809427075 BJSRSNJLXISNBE-UHFFFAOYSA-N 433.468 1.480 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCO3)n2Cc2ccccc2)n1 812053939 CWGNAOYBBFKMOM-NRFANRHFSA-N 436.516 1.897 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1116556587 QKLXKCSQFIXPEI-INIZCTEOSA-N 443.953 1.576 30 10 IDEE Nc1c(I)cccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1136672069 APIQUZMWFFGQTH-FYWRMAATSA-N 426.214 1.130 30 10 IDEE Cc1cc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c(C)n1-c1ccc(C#N)cc1 1159447852 DMDNSRCRQVZFQB-UHFFFAOYSA-N 434.543 1.849 30 10 IDEE CNC(=O)c1cc(O[C@H]2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)ccn1 1171658680 KAUCTHQWSNZZKV-SFHVURJKSA-N 428.514 1.630 30 10 IDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1176833578 XSDCERARSGFPIC-NRFANRHFSA-N 429.586 1.886 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1OC 1185751471 FMELLTIIUCQFIR-SNVBAGLBSA-N 442.328 1.961 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1286390558 AVQYSCUSQTYHDV-MSOLQXFVSA-N 436.578 1.758 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1286467199 NNEUKBSBGMQDEO-UWJYYQICSA-N 432.546 1.174 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1C 1286467369 OXWRJTJSFUMXHK-UHFFFAOYSA-N 449.563 1.628 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1286561972 DJJNESCHXOFOKV-OXJNMPFZSA-N 432.569 1.733 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286703879 UMGYTAFKBJPXSL-UHFFFAOYSA-N 430.553 1.442 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccccc2F)C1 1286798714 NKUHAXVIKWEAIR-MRXNPFEDSA-N 444.511 1.767 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286815435 VBNMEWOXQDGQEG-MRXNPFEDSA-N 447.517 1.195 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)N2CCOCC2)CCOC1 1288304302 DCTYOSPUFRWQLP-JRGCBEDISA-N 436.532 1.481 30 10 IDEE Cc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1290193744 BXMOVGNVZPDRHS-AEFFLSMTSA-N 432.550 1.706 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)cs1 1290423737 PCZYVWZGCYXZHM-SFHVURJKSA-N 437.595 1.703 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2 1297333588 CRIRBMWKFVSCIC-MGRXMMILSA-N 447.532 1.811 30 10 IDEE Cc1ccc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)cc1S(=O)(=O)NCC#N 1297660920 FKNDWXZONMQSMI-UHFFFAOYSA-N 441.517 1.070 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1297696624 PGLLZIHBUNRQRX-GOSISDBHSA-N 433.534 1.493 30 10 IDEE C#CCCCCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1300375737 BTGTYHXRQAJSHE-UHFFFAOYSA-N 447.609 1.932 30 10 IDEE COc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)C 1300509980 AQRRMKYSVUOEKC-UHFFFAOYSA-N 446.515 1.635 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1300690844 RPAXEFHFLLPQJX-UHFFFAOYSA-N 431.544 1.830 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cnccn1 1300877389 XMUYLWOYJQYXKI-NUJGCVRESA-N 449.581 1.338 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1300916250 VREBIPVMYWENOH-INIZCTEOSA-N 440.595 1.827 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301042952 ZNCQZWWUFZIKAN-QAPCUYQASA-N 429.974 1.234 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1301289787 QCMDDFZXSKAVJT-UHFFFAOYSA-N 437.504 1.096 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(C)C)CC1 1301508646 PCCYPCAASZWJBW-UHFFFAOYSA-N 431.566 1.241 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)c1cc(OC)cc(OC)c1 1301509183 BNYKSFQJIPEAMM-UHFFFAOYSA-N 428.493 1.488 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(F)cn1 1302091651 FWTHTHKTTZMHTL-DNVCBOLYSA-N 429.500 1.761 30 10 IDEE C[C@@H]1CCCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1305014164 DXNMHWMVLQWOKD-KURKYZTESA-N 436.582 1.173 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1306526846 BKXJNNZGPZNPOH-HSZRJFAPSA-N 448.531 1.955 30 10 IDEE Cc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(-n2cc(Cl)cn2)n1 1312513742 MQKSPRFJCPPXIV-KSSFIOAISA-N 434.909 1.309 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1313305169 OWOZDQHXAPTQCR-UHFFFAOYSA-N 425.533 1.059 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@H](COC)C2)C1 1314260714 CKTMTSPUTFIPGB-GUIDAWGDSA-N 441.532 1.987 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1 1315867104 USUBYGLOIXIYMW-UHFFFAOYSA-N 445.545 1.661 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1O[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358956738 JZWHYWURWLJPAE-PMACEKPBSA-N 444.557 1.738 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1358960540 GXHHJDPFFXSYHD-HNNXBMFYSA-N 432.575 1.648 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358964865 IUJHEYYLQKWZTK-ZWCUEREDSA-N 443.573 1.442 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1359018919 GMIUZUGUOMDIOP-CQSZACIVSA-N 438.554 1.308 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1359023980 CATMZMBOXODDFL-HNNXBMFYSA-N 433.534 1.181 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)c(O)c2)CC1 1359030842 IFBLJHWQRWAAMK-HSZRJFAPSA-N 441.532 1.448 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@H](C)C2)C1 1359313135 HKWDLJKODBJGIK-YYIAUSFCSA-N 427.571 1.485 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC(O)CC2)C1 1359324393 KICIDDNDRSSCSC-OAQYLSRUSA-N 443.596 1.768 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359331588 DGOZUZLEHWQHAD-UHFFFAOYSA-N 438.598 1.777 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1359554625 QPDACWSWYWNDDX-IAGOWNOFSA-N 432.525 1.768 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O)N1CCOCC1 1360542273 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KTCNWEBZHVYPJJ-ZBFHGGJFSA-N 425.532 1.029 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)n1 1668983323 MPRMWLGMAKKMJM-UHFFFAOYSA-N 442.541 1.653 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOC3CCSCC3)CC2)cc1 1685586815 YVYCDCQAQKFBEG-UHFFFAOYSA-N 438.575 1.486 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(C)s1 1690018212 XTEASCZUZMENAN-UHFFFAOYSA-N 433.545 1.733 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1690076957 FMXAIWNNWNICTI-IBGZPJMESA-N 445.589 1.628 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690469271 JNWPDRMRXZOLJF-KRWDZBQOSA-N 436.582 1.485 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690514106 ULLKWRGCBUEJGC-HNNXBMFYSA-N 445.911 1.472 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1690622054 GVFZUEFUSZWCPN-ROUUACIJSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690672338 OYPAADXFEXXFLY-OAHLLOKOSA-N 430.557 1.744 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690745173 ZJIQPSFZVOPCSH-RTBURBONSA-N 448.637 1.834 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690750083 ZMDVRRAUGFYEML-OAHLLOKOSA-N 433.538 1.589 30 10 IDEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1)OC 1695094548 CNQSOVHOKSOUPM-IBGZPJMESA-N 426.521 1.927 30 10 IDEE CCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1696441499 JOIVEJNKQJXXGC-QFIPXVFZSA-N 442.520 1.890 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)N1CCOCC1 1705553361 XLYHOALDBGSUGY-UHFFFAOYSA-N 438.580 1.632 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1705583290 USYXIXOEEXRZIC-QZTJIDSGSA-N 442.541 1.729 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1705592034 PETOPUNRNRWEKE-FQEVSTJZSA-N 445.365 1.576 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1705596982 SKTIRZAEYGKGEZ-YADHBBJMSA-N 446.555 1.766 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1705737587 VWGKPNKKXQXSJY-XDNAFOTISA-N 439.582 1.438 30 10 IDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1705820860 BOGAKMFIVOIUIS-UHFFFAOYSA-N 429.550 1.564 30 10 IDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC)C1CC1 1705853604 DIMJXRXOOJWYLP-INIZCTEOSA-N 434.541 1.877 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705894638 GGUYCXMYAXSQJZ-MJGOQNOKSA-N 431.585 1.083 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705906610 KDCHBTRWNOXKFQ-HNNXBMFYSA-N 445.911 1.027 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1706213028 DOKWVPXJLRFMTB-UHFFFAOYSA-N 433.520 1.688 30 10 IDEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1706242356 SRKHYDIUUKQLSY-GOSISDBHSA-N 435.532 1.646 30 10 IDEE CC[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708315321 RUNZGRIAZCDEAE-QKKBWIMNSA-N 430.509 1.698 30 10 IDEE CS(=O)(=O)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1712703864 MXBGJUIDYQIODR-MJGOQNOKSA-N 445.545 1.779 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722364612 IJHIXADHHQXACH-LJQANCHMSA-N 437.525 1.645 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2COC)CC1 1722448414 UDPBLUVCGFDIDF-NRFANRHFSA-N 437.544 1.943 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1722463708 KPVJXGUVNBNBMU-XLIONFOSSA-N 431.566 1.730 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722464512 IRMWAEZRSYMQDE-AOIWGVFYSA-N 447.605 1.864 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722532284 HPKYFNSXXPEVDC-IBGZPJMESA-N 438.532 1.984 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@H]1C 1722598482 IPOQKBCXRHUHFU-QKLQHJQFSA-N 426.583 1.903 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1722608701 KLRPVSUHTMIVPI-OAHLLOKOSA-N 437.545 1.715 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722700124 XNOOZLLBGXGQCO-IBGZPJMESA-N 439.495 1.622 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722726885 GLRWGDINSJYFPQ-QGZVFWFLSA-N 445.549 1.284 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2cnn(C)n2)CCOC1 1723678097 STTSKPNHZIZVIN-VQTJNVASSA-N 432.504 1.522 30 10 IDEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1729591603 FZZXDTZOVDYGGM-OAHLLOKOSA-N 448.409 1.673 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1730200799 DRAGDZDIVJIWGU-QZTJIDSGSA-N 440.504 1.509 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCOCC(F)F)cc1 1731181325 AGYODHGTSSPRFS-NRFANRHFSA-N 446.458 1.869 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740623445 UBVJLOKDNBYGCT-KRWDZBQOSA-N 444.561 1.711 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1740626560 BVVJKFNKKTWGOM-SFHVURJKSA-N 434.566 1.345 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1740638309 KBEIQJVVOGPWGH-QGZVFWFLSA-N 432.484 1.070 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cc[nH]n1 1740670666 SWOAFJZQYLXSDT-UHFFFAOYSA-N 448.535 1.065 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1740717569 WCDCHIJJMMPCOJ-MSOLQXFVSA-N 437.635 1.611 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740879858 SGKHFYWAXPSQBW-UHFFFAOYSA-N 440.552 1.882 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740966672 VNEGROGHDGHAEY-GOSISDBHSA-N 440.504 1.100 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740988799 PRPRQRQJLYSEDM-MRXNPFEDSA-N 447.517 1.195 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nccs2)C1 1740995380 JRQBHLHBDHDTMC-CABCVRRESA-N 439.563 1.765 30 10 IDEE CC(C)(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741239798 HHAJBTUYSPUFFP-DOTOQJQBSA-N 436.582 1.172 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)N(C)C1CCCCC1 1741903743 CLQAJWXHOBZNJW-GJZGRUSLSA-N 439.586 1.418 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1748809105 QGXRJKPYZJEDIV-HNNXBMFYSA-N 433.534 1.245 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1748812107 PYGBUUYRYKCPAA-SFHVURJKSA-N 426.546 1.229 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1749094956 ALXCPSKBNSXFAU-HRAATJIYSA-N 429.477 1.400 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C 1749457997 USQJDYFYCAEVPU-ZACQAIPSSA-N 427.571 1.438 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1749600029 PMGNHSRNBPEWBG-JKSUJKDBSA-N 433.475 1.684 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCOCC2)c1 1750191676 BPBNZEORXXSKMC-IBGZPJMESA-N 449.508 1.332 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1750389645 FVQYGMHTIZGSGR-OAQYLSRUSA-N 440.529 1.496 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1760208691 XXRULVLSOKYEEA-PMACEKPBSA-N 440.592 1.865 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1760314039 SUHASDZZUJKOQZ-FUHWJXTLSA-N 445.568 1.392 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1760559917 VRRKLGBOQPSMKO-UHFFFAOYSA-N 445.549 1.140 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760565126 OJWUUUFQKUCQFX-QGZVFWFLSA-N 448.593 1.224 30 10 IDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CC2)C1 1766945996 FTXNQQQZGRKGQX-SFHVURJKSA-N 444.561 1.856 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO 1767770695 BJOGRYNLZOWHEU-LJQANCHMSA-N 425.537 1.236 30 10 IDEE Cc1cc(C)n2nc(C(=O)O[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc2n1 1852213118 RAMHJNYJQYJHLZ-IBGZPJMESA-N 436.472 1.549 30 10 IDEE CCC(CC)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854320930 KJHMHHZNSUTTFL-SFHVURJKSA-N 432.546 1.428 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N=c2[nH]nc(C)s2)c(C(=O)OCC)c1C 1860766417 YNCIMXVMZYEHDP-UHFFFAOYSA-N 438.487 1.735 30 10 IDEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870374114 MQTBRGPOSRJRJW-UHFFFAOYSA-N 449.511 1.959 30 10 IDEE O=c1c(Cl)c(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cnn1[C@H]1CCS(=O)(=O)C1 1873528579 COPXSUKLMDNLGA-MJRCGYGRSA-N 427.826 1.316 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2216949179 GTLHXHMICGPTHX-CQSZACIVSA-N 425.335 1.840 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2247952895 PHJWEGRTFQRAAE-GJZGRUSLSA-N 446.375 1.464 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2255694833 URGHISYRYFACBL-OAQYLSRUSA-N 437.346 1.330 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)COC1 2255705878 BAWMUOZXLCDHQO-UHFFFAOYSA-N 436.314 1.850 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255814431 XNZMRPUKDVGBSM-HNNXBMFYSA-N 436.314 1.945 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825676 DEIPNAOZGHRHJS-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE CCC[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255861076 KVPSKEAZVWNLJF-ZDUSSCGKSA-N 437.350 1.538 30 10 IDEE CC(C)(C)OC(=O)NCCOCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256680596 ZGMUWILWBNPKQN-UHFFFAOYSA-N 439.293 2.000 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256928166 QOUFTBIBQUJUEJ-ZDUSSCGKSA-N 437.277 1.939 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2257495414 YEOXPARMPMIARY-OAHLLOKOSA-N 433.314 1.970 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 2267119021 QIKXLVSHKDETIT-HDICACEKSA-N 437.353 1.603 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267128220 WPDYLGSRFNUFCE-HZPDHXFCSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267275596 PWCZGTLOXYQHQT-FPTDNZKUSA-N 444.341 1.763 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492826 DNCLRKSNPSDNFQ-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE Cn1nc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267552080 PVJRGINTNDTZFL-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2267598307 YFZIZYBLDZKNOI-QZTJIDSGSA-N 437.353 1.461 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=[S@@](C)(=O)C3CNC3)cc2Cl)OC1(C)C 2282830233 QUPFJBFXUZSYRV-VWLOTQADSA-N 440.805 1.459 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCCC34OCCO4)ccc2F)OC1(C)C 2282872998 FGUSCKKRKXBNRG-INIZCTEOSA-N 427.303 1.699 30 10 IDEE C[C@@H]1C(=NO)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1C 2344455673 WKSFGDGVGSBZHS-QUJCMNEKSA-N 425.482 1.901 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccs2)[C@@H](C#N)C(=O)N3)CC1 101442466 YLACLKCNHLRSAV-TZMCWYRMSA-N 427.486 1.835 30 10 IDEE CCOc1c(OC)cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] 169907741 FVMIIJHTZVIIEA-GIJQJNRQSA-N 436.402 1.749 30 10 IDEE C=CCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N2CCN(c3ncccn3)CC2)C1=O 170054856 CFCVIPYKKOJNOY-UHFFFAOYSA-N 435.484 1.582 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)CCN2C(=O)COc3cc(Br)ccc32)C1=O 410178368 MNABIAWSBZPRMN-HNNXBMFYSA-N 436.306 1.810 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(C)(=O)=O)c2ccccc2C1 460569288 BRPIVUFZAMGLCH-SFHVURJKSA-N 433.534 1.728 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 460948480 WQSMWZLFLCLPHN-GJZGRUSLSA-N 434.570 1.775 30 10 IDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 466078066 AOAPKTONKADWDO-OAHLLOKOSA-N 444.561 1.556 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 478759343 XICZCCPBNPTFNN-WMZOPIPTSA-N 442.512 1.727 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 488566178 NZMYHOQLBGNWMF-NEPJUHHUSA-N 432.868 1.975 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N(C)C[C@@H]1CCCO1 508504052 JAQTXQNKTJEWRA-SFHVURJKSA-N 447.561 1.767 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)o2)c1=O 524717059 QMJFMXQISDQWJI-UHFFFAOYSA-N 425.466 1.200 30 10 IDEE Cc1cnn(Cc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)no2)c1 535908240 HGPPZSWUPPLNCB-UHFFFAOYSA-N 440.485 1.246 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 551709136 AOHAEJJFPRDULS-UHFFFAOYSA-N 439.422 1.410 30 10 IDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 561132492 YYWIFHFYYBIPPL-SFHVURJKSA-N 445.951 1.671 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccccc1C#N 609351245 XWWMESGPZMMOLF-UHFFFAOYSA-N 448.454 1.831 30 10 IDEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671664860 BDVRAHBISVMDTH-KRWDZBQOSA-N 434.493 1.681 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CC2)nc1 747647589 WWKAKSNWDVOOGA-UHFFFAOYSA-N 425.392 1.604 30 10 IDEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(CCN4CCOCC4)c3=O)cc2s1 755038609 AUTPIQIDEYDWBK-UHFFFAOYSA-N 437.550 1.187 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C1 756884383 NBFPZDTVLWYYAV-BHYGNILZSA-N 428.489 1.872 30 10 IDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 758613592 XZCUERPVAZCIRR-SECBINFHSA-N 425.244 1.293 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc3c(c2)OCO3)C1 760323811 QYWZNFCUUDPJBQ-CJNGLKHVSA-N 447.517 1.287 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(N4CCNC(=O)C4)c(Cl)c3)CC2)n1 760924088 KVDAFVXYTSDOLN-UHFFFAOYSA-N 439.907 1.897 30 10 IDEE Cn1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCO3)n1 765549417 YFEUCMYJDNGZKK-KRWDZBQOSA-N 427.486 1.949 30 10 IDEE CN(C)c1nc(COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)ns1 771321363 SZBOTBQNMFAHMA-UHFFFAOYSA-N 437.547 1.946 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Cc3ccccc3CC#N)ncnc1-2 777387490 IQQRUFHQQQVNGG-UHFFFAOYSA-N 428.294 1.336 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)[C@H](C#N)C1 779629034 JSTMKDOAALOWKZ-MRXNPFEDSA-N 434.518 1.286 30 10 IDEE CS(=O)(=O)c1cc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(C(F)(F)F)c1 790865694 VBLOQFUDDHHAPZ-HNNXBMFYSA-N 430.452 1.991 30 10 IDEE C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 791093233 RBRGRBUBKDFHLP-AOMKIAJQSA-N 443.525 1.294 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(c3ccc(C#N)cn3)CC2)CC1 795866833 KGANLKZLBUAMRL-UHFFFAOYSA-N 428.537 1.545 30 10 IDEE Cc1ccc(-c2csc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2)s1 806906784 IBQQDJMBICUBTG-CCEZHUSRSA-N 431.499 1.761 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC2=CCCOC2)C1=O 807934793 AKKKJWCBYMCWNH-YPYXJLKGSA-N 445.589 1.339 30 10 IDEE COCCOCc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1 808132191 GSPYKEWNCDLMEM-UHFFFAOYSA-N 442.500 1.960 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccc(-n3ncc(C#N)c3N)cc1)CCO2 817511734 SHPNLXHBJNKFHU-UHFFFAOYSA-N 438.488 1.788 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C#N 917795162 JKJHYAXDTUXWEO-UHFFFAOYSA-N 446.536 1.150 30 10 IDEE COc1ccc(CC(=O)N2CCc3c(C#N)cccc32)cc1S(=O)(=O)N1CCOCC1 1129913771 DVMCMWGQPUDOOV-UHFFFAOYSA-N 441.509 1.720 30 10 IDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1135981956 CLONUZMJGNFOET-LJQANCHMSA-N 434.468 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2ccc(OCC#N)cc2)C1 1136585659 NXFOGCNFDRVNME-KRWDZBQOSA-N 437.518 1.629 30 10 IDEE Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1141411539 AYQSQMBWHCCNLU-UHFFFAOYSA-N 437.499 1.010 30 10 IDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CNC1(c3ccc(C#N)cc3)CCOCC1)C2=O 1175277002 OELBEEJCJCTNFK-UHFFFAOYSA-N 439.516 1.685 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCCc2cc(C(=O)OC)ccc21)c1cc[nH]n1 1179127890 CQVOTTIMDDRSBO-UHFFFAOYSA-N 428.445 1.850 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CC1 1215970985 IIYMUNFUTZTQQE-UHFFFAOYSA-N 440.529 1.219 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1251164944 XVEAAZSFNXHBAX-MSOLQXFVSA-N 437.518 1.223 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1286389370 ITTHKAFAOGUKKR-IBGZPJMESA-N 441.557 1.385 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1286473389 LIFBOPPWZNVEFZ-FQEVSTJZSA-N 438.576 1.677 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1286474496 KVRSMRPJGQFHEI-NRFANRHFSA-N 430.915 1.971 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1286496079 MUEKKPZAYYHXCQ-ZYSHUDEJSA-N 439.607 1.262 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286507294 GTPYVFYPGONZSC-INIZCTEOSA-N 434.591 1.100 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)OC)C1 1286564489 VRJZTXLRGIPHDX-BCYZHJNNSA-N 434.537 1.983 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286567328 UWKXJTWLDMXNLJ-AZUAARDMSA-N 446.577 1.327 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)C)CC1 1286663235 JFBIMCYAEBGXMW-ZWKOTPCHSA-N 441.598 1.684 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1286773847 UESOHQBINFHNTJ-BEFAXECRSA-N 440.591 1.788 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286788881 JMEZDSUJHSFGQE-JKSBSHDWSA-N 426.521 1.339 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1286808666 DNXOVQHABLLHBS-PMACEKPBSA-N 432.613 1.979 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNc1ccccn1 1288825455 FGZOXVZXRAUNRS-KDOFPFPSSA-N 436.517 1.227 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1290627425 DNPRVWLIEOTSAN-LPHOPBHVSA-N 435.529 1.407 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1296185057 OCQSAUAACBXTHJ-LJQANCHMSA-N 437.596 1.453 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1300382493 WHNOUVRVYLLXND-KRWDZBQOSA-N 439.516 1.998 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1300490636 AFHNDMJQZGBBOP-DLBZAZTESA-N 440.591 1.140 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300499604 VMSZCPPPDVDKGX-ZWKOTPCHSA-N 448.520 1.050 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCN(CC)CC1 1300540944 HDZBALLOLNZNTR-NRFANRHFSA-N 444.587 1.615 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300863667 RCTXTIZXCYCXLB-QGZVFWFLSA-N 428.331 1.506 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1301258408 ROGZAQFBAOYXBC-GOSISDBHSA-N 439.582 1.606 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1301367256 MMVSDGMPDWVGKU-CADBVGFASA-N 430.553 1.489 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1301577835 ONABPCMRPQRZNM-INIZCTEOSA-N 445.545 1.366 30 10 IDEE CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1302530743 YIOFUDZBDICFKB-INIZCTEOSA-N 445.586 1.304 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[C@H](O)C2)cc1 1302993931 HRDBZMXRALHKJC-FHWLQOOXSA-N 438.532 1.982 30 10 IDEE C#CC1(O)CN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1304596576 SCPCHJGLQMDUDE-QGZVFWFLSA-N 440.525 1.319 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OC 1309762274 RXPXGCUUQUIDRW-QZTJIDSGSA-N 440.518 1.451 30 10 IDEE CC1CCN(Cc2ccccc2CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1312646138 MTCFUROYCDLBBR-UHFFFAOYSA-N 436.516 1.819 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)nn1 1312898847 UYTAUZRSJSXDAT-UHFFFAOYSA-N 432.550 1.633 30 10 IDEE O=C(NCC#CCO)NCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 1313190608 FKGJIQXTLFAREJ-SDNWHVSQSA-N 438.303 1.780 30 10 IDEE CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3Cc3ccc(C#N)o3)CC2)CC1 1313921936 BMKYHAMHZXSEAJ-UHFFFAOYSA-N 425.537 1.870 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1314548067 GURAUARLYZKQFC-ROUUACIJSA-N 430.534 1.514 30 10 IDEE CN(C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1314658586 DQBDZOCUTJCJNU-JLSDUUJJSA-N 442.586 1.059 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1315961948 BUSRLTUZZWBIFL-UTKZUKDTSA-N 426.477 1.245 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1c(C)noc1C 1316207237 UZAHXWYUWGKQEA-AEFFLSMTSA-N 429.525 1.832 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1318517327 PSBRHXPKLVLPMD-VZCXRCSSSA-N 425.489 1.425 30 10 IDEE CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 1354573824 CQOOBRGBFVBXQA-QHCPKHFHSA-N 442.523 1.989 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cnn1CCC#N 1355166881 IZKDQZHFKLRSIV-UHFFFAOYSA-N 441.435 1.669 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2COCCO2)c1 1358903196 OAAUERUHQALAFP-OAQYLSRUSA-N 446.511 1.736 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1358961540 APJIXRLBPCEATI-HZPDHXFCSA-N 439.607 1.389 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1358982364 UMLCRYFSFNZMRL-UHFFFAOYSA-N 437.525 1.769 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCOCC1 1358997598 YRZVPWQIKKOQNX-UHFFFAOYSA-N 435.528 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1359041483 XZAZDOPSWGECJE-UHFFFAOYSA-N 429.546 1.199 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359206200 XYRIDHZUBSFNFV-JOCHJYFZSA-N 443.552 1.571 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2)C1CC1 1359247028 QNTFRQBJZILKIL-HUUCEWRRSA-N 425.555 1.586 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359298004 JOKSZQWGNZNDKY-GOSISDBHSA-N 441.536 1.592 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1ccnn1C 1359962709 KQCDPDKOTUQLAR-YADHBBJMSA-N 437.500 1.650 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)nn1 1436932897 ULUMCYQGUCRMNB-UHFFFAOYSA-N 444.517 1.678 30 10 IDEE C=CC1(CC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CN(C(=O)OC(C)(C)C)C1 1452159908 BKWPOXNYJXYKGW-UHFFFAOYSA-N 429.521 1.642 30 10 IDEE Cn1c(C#N)ccc1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1461691848 FIPANFBFDUSMGY-UHFFFAOYSA-N 430.509 1.327 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCCNC(=O)CC1 1472360608 SNJBEJCMWASHOQ-QGZVFWFLSA-N 434.562 1.803 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H](CO)[C@@H]3C)nnc12 1472577528 KSIUCHMVXITQPH-GJZGRUSLSA-N 427.530 1.942 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1 1475774893 UGMPEIIXSFIMOQ-MUUNZHRXSA-N 442.607 1.578 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1502238855 HIRYUBQJJQEPJM-CQSZACIVSA-N 428.884 1.996 30 10 IDEE CCOC[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1503159220 KVOCZTJPSNXUND-YGKKUGEXSA-N 430.509 1.519 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1503942905 FXWPTDVHHWICHR-OAHLLOKOSA-N 435.488 1.420 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1507519430 ZZLHNPMLYZTJEG-UONOGXRCSA-N 433.534 1.902 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507631035 AZZVECLCWFCPGW-MOPGFXCFSA-N 436.578 1.758 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCCCC1=O 1507641440 FUUMHDOTBDINKN-QHCPKHFHSA-N 427.549 1.796 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507664835 HIDGWUGIXQFIRW-UHFFFAOYSA-N 445.527 1.657 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@H](C)O)cc2)CC1 1507715397 AATKKUSZGRXNSW-SFHVURJKSA-N 445.527 1.782 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507741116 LNLNDCYCKWQRFO-UHFFFAOYSA-N 426.546 1.616 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507968230 RAAUNASCFJWTFJ-CABCVRRESA-N 431.459 1.880 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1)C1CC1 1507992791 IZJDDRYBLDCDPF-IBGZPJMESA-N 447.561 1.306 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1508004112 JNLIXAFTKYFNKO-GOSISDBHSA-N 444.561 1.457 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1508139005 BQCXHOMORHORPK-HZPDHXFCSA-N 447.565 1.077 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1508140934 KLQAXGCVJFQWNZ-ZWKOTPCHSA-N 447.561 1.826 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1519450887 RBTNHLXCEHUTPF-FORWCCJISA-N 433.534 1.700 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1O 1520645923 VNQUJRMHUGNURW-NMLACTOBSA-N 427.505 1.476 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@@H](C#N)C2CCCC2)c1OC 1536799042 VNZQHPWSGBETOP-KRWDZBQOSA-N 437.518 1.537 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1537494282 LOIOIZGUIGACEF-DNVCBOLYSA-N 429.539 1.380 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCOC)cc2)CC1 1539445739 DFNAAYBTBWEROA-UHFFFAOYSA-N 433.516 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCC2)CC1 1539467162 OEBZEHNMUIBZBL-UHFFFAOYSA-N 444.605 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(COC)CCC2)CC1 1539489670 VOGHXNDVASUNDF-UHFFFAOYSA-N 442.564 1.183 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539903071 QZBGNKGEXUQXSR-KRWDZBQOSA-N 441.536 1.869 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540044226 PGXWUOMYMABLJK-KRWDZBQOSA-N 425.537 1.805 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C)C1CC1 1540107495 BFYYTOWKWPZBRU-FUHWJXTLSA-N 438.598 1.250 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)C1CC1 1541675456 MQZJWQGQQMVVDD-QFIPXVFZSA-N 438.536 1.171 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1546856352 BSLZSRRYNFMCCW-MRXNPFEDSA-N 428.562 1.938 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1 1547725567 HYJRZTJEMYFCBF-AUSIDOKSSA-N 444.628 1.820 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCC[C@H](C)C1 1555663023 IKTBAHCDGVWUHJ-ZVDOUQERSA-N 445.612 1.911 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nn(C)cc1Br 1556676475 BQYCMCNDPRZPFQ-JTQLQIEISA-N 426.296 1.037 30 10 IDEE COC(=O)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccnn1C 1557174848 YBTRWKHSYPHSTB-SFHVURJKSA-N 447.517 1.050 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)C1 1557243612 WHESSCPLBOWOIX-QUCCMNQESA-N 434.500 1.786 30 10 IDEE C#CCCN(CCOC)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1561783175 SUDSCIOVGRKRQX-UHFFFAOYSA-N 428.454 1.188 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1588084779 WTIUPCIASALMMU-FQEVSTJZSA-N 440.569 1.833 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@H]1C 1588595154 NLEVKWAQWJJSRF-SJLPKXTDSA-N 431.562 1.937 30 10 IDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)OC)CC1 1588750240 BZAPDAOCCCQMOX-MRXNPFEDSA-N 445.593 1.337 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1588811288 FJMUEBFARFZEJM-FQEVSTJZSA-N 425.533 1.877 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Cc2cccs2)CC1 1588813207 WGEISWTWSLWMTL-QZTJIDSGSA-N 447.630 1.876 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588908133 KWZNBFBTWFFXOA-LEWJYISDSA-N 437.544 1.962 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589404964 OOPRLUGPVVKMAK-HNNXBMFYSA-N 441.374 1.291 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)OC)C1 1589570950 XMSQYOHIDSTUBY-ZWOKBUDYSA-N 431.537 1.771 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CC2)CC1 1594241606 WBGOTOAHHWKSDZ-FXAWDEMLSA-N 439.582 1.174 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1594963089 PTAZWDQMWPEJHI-QGZVFWFLSA-N 441.504 1.754 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1595550347 CUCKIXWJZQQSAX-UHOSZYNNSA-N 443.573 1.865 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1595561853 DTIRSHYJIFBUNY-QGZVFWFLSA-N 427.509 1.281 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1Cc1nnn(C)n1 1608479806 ADHPFTCJKCQTEM-SFHVURJKSA-N 448.535 1.319 30 10 IDEE CC(C)NC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1610247286 VTIWBTWUYSCZQN-MRCUWXFGSA-N 427.553 1.724 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@@H]([C@H]2CCCO2)C1 1611057544 ZPCFOGGBKRPOHP-HNBVOPMISA-N 425.485 1.870 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3C[C@H](C)N(C)C)CC2)c1C#N 1612471964 BSNPGXGKEWNFMM-KRWDZBQOSA-N 448.579 1.454 30 10 IDEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)CC(F)(F)F 1618276679 BQFYPTAMTIILJR-HNNXBMFYSA-N 448.515 1.804 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 1624394800 HUUGKZUZCWIPNS-GOSISDBHSA-N 430.530 1.756 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(I)cc1-n1cnnn1 1626364509 PKVHKHYAAFEXPN-IAQYHMDHSA-N 439.257 1.978 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)cc1 1627449920 YAXGNKPDVAAWOJ-SFHVURJKSA-N 445.516 1.380 30 10 IDEE Cc1ccc(C(=O)N2CCC([C@H](O)c3ccnn3C)CC2)cc1S(=O)(=O)NCC#N 1630178142 NSWFJSDCZVPJBT-IBGZPJMESA-N 431.518 1.116 30 10 IDEE O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)N[C@@H]1CCCN(O)C1=O 1636546881 ZTKAIKIWXIBUIG-HZPDHXFCSA-N 449.508 1.852 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3(C4(O)CCOCC4)CC3)C2=O)cc1 1638726523 DCIBVVPJCDZOEJ-KRWDZBQOSA-N 426.473 1.201 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)C1=O 1639594067 GPCCAGVUUJMFLL-ZOFXXKQRSA-N 435.521 1.419 30 10 IDEE C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1639932427 IXFVLPVROJDFEU-KSSFIOAISA-N 443.529 1.824 30 10 IDEE CC(C)(C)OC(=O)N1CCC(OCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1642499108 BEDTVZKMERTSEC-UHFFFAOYSA-N 434.497 1.473 30 10 IDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1644563324 CCHACUZXEGBKFU-HNNXBMFYSA-N 426.491 1.140 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)c1 1645563679 IDQDVOLFOPWUEL-UHFFFAOYSA-N 449.326 1.704 30 10 IDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 1645781991 VZAAYJQHNGENEI-UHFFFAOYSA-N 428.352 1.527 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)CC(C)C)CC2)s1 1650375742 VDLKSHVFJOZXNL-UHFFFAOYSA-N 427.592 1.862 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)c(Cl)c2)CC1 1650846446 XORVUXVZYFZSMC-UHFFFAOYSA-N 434.743 1.257 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 1663167321 FRAFZCJAAJJBHL-RISCZKNCSA-N 445.291 1.436 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 1683549655 FWNXROGYLOQLAT-UHFFFAOYSA-N 438.513 1.703 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1689875198 MKSFJZWPLXNZTD-CYBMUJFWSA-N 437.488 1.585 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1690077082 IHCJPWWAZBARNO-DLBZAZTESA-N 432.550 1.040 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1690154672 WFVYZRPIFYCAFL-UHFFFAOYSA-N 440.573 1.913 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690299182 IVHUAPXAXDXVAT-IRXDYDNUSA-N 427.571 1.344 30 10 IDEE Cc1n[nH]cc1CCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1692919715 VVCJHIDOCGDRKX-RXVVDRJESA-N 429.525 1.712 30 10 IDEE CCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1694746135 QEHXFXZHHKNKOQ-MODMUFLJSA-N 443.552 1.056 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCC2)CCO1 1696964261 IAWIANIJDNOAOM-YLJYHZDGSA-N 437.548 1.500 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H](C)O1 1698453887 VBPHWQZHAHRXOO-IYBDPMFKSA-N 433.534 1.492 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705497620 FCRRQVVOHISGCA-DLBZAZTESA-N 441.561 1.256 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705565672 IUMLLLSERDYITA-SFHVURJKSA-N 440.529 1.362 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCOCC1 1705593278 MFNPYVTUBQRDDD-UHFFFAOYSA-N 446.515 1.315 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CC1 1705612525 IMJVSTCVNXDVAG-SSEXGKCCSA-N 427.578 1.823 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705810002 KNUJNNQPJJUPGG-UHFFFAOYSA-N 438.598 1.731 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[C@H](C)C1 1705895535 JZFLIFLYYKVCKM-HUUCEWRRSA-N 445.593 1.941 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1706092370 HHPDQVVRQCTWCP-MJGOQNOKSA-N 449.559 1.941 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1706213215 HMZRUCRCKZPYOT-UHFFFAOYSA-N 433.520 1.688 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1708275556 FUQHCEVTUADFKJ-YCRPNKLZSA-N 425.493 1.595 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1722301185 KLCYFIRTEMHQCL-SFHVURJKSA-N 430.574 1.851 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)CN1CCOCC1 1722391929 YWCNCQALRCNPBO-NFBKMPQASA-N 429.565 1.361 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1722397386 QBIIREJGEKPMBB-LJQANCHMSA-N 441.557 1.875 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](SC)C(C)(C)C)CC1 1722431315 JHSMGSLCUCAGNW-HZPDHXFCSA-N 442.655 1.421 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1722500565 JOYHSHVVJQUEGX-CVEARBPZSA-N 427.571 1.834 30 10 IDEE COc1ccc(COCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1730173199 BVFMDEABTVEVHB-LAUBAEHRSA-N 428.468 1.897 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H](C)O1 1730592813 GMZHMTNJFVHBNN-MNEFBYGVSA-N 438.532 1.972 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1731017140 JAVMFECDLAEWMI-UHFFFAOYSA-N 430.534 1.373 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1731021139 YIPZBQZCMONCDT-CEXWTWQISA-N 444.561 1.812 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1740545552 AWIWXDAOBGUZCC-AEFFLSMTSA-N 447.543 1.908 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2ncn(C)n2)c1 1740562899 NUVJHSJIUJWIHH-GOSISDBHSA-N 434.504 1.753 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740624307 FICKHFLIECTZFZ-ICSRJNTNSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1740645923 NHZLWBMHBPDWEH-MJGOQNOKSA-N 429.546 1.739 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCS(=O)(=O)C1 1740688937 XAFUJTBTNPWHHL-IBGZPJMESA-N 446.573 1.995 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnnn1C 1740726677 JNSUPHMRKDRQKL-HXUWFJFHSA-N 425.518 1.518 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1 1740762034 BHXCDFSTPSWTKM-DYESRHJHSA-N 430.553 1.440 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964350 BDRBIGRZTGHQDW-UTKZUKDTSA-N 444.540 1.054 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1740988583 JONHVOXFWREPQS-ZDUSSCGKSA-N 425.942 1.899 30 10 IDEE CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1744702212 RWMRYGZJWHAABW-UHFFFAOYSA-N 425.537 1.924 30 10 IDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1744712700 MIBRXMFNONGCIC-YYIAUSFCSA-N 432.525 1.594 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1744875632 SVMAUSLVPAZMJO-HDMKZQKVSA-N 448.549 1.749 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C(C)=O)CC1 1748657492 CCUBPGIAZRFYNL-KRWDZBQOSA-N 438.532 1.338 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1748757466 CTKAPNLSESUUHQ-ZWKOTPCHSA-N 430.553 1.181 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCn3cc(C)nc32)CC1 1748977864 KQVJUPFSLVLKKP-VQTJNVASSA-N 441.580 1.840 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1748989254 JJMBAWLHRICFTP-RBUKOAKNSA-N 448.637 1.056 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1749676573 VKVZHTRUNFZHLF-SFHVURJKSA-N 426.521 1.285 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)C1 1749694864 WULYJBFSTAIJFM-KRWDZBQOSA-N 437.566 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749723852 BUJQSVFUYCXKPN-OAQYLSRUSA-N 440.529 1.276 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1749743997 CWKZHCDCORROSP-OAGGEKHMSA-N 430.644 1.726 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1750146542 GFCQMUOGRMSMTK-TXPKVOOTSA-N 440.570 1.071 30 10 IDEE CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1750238839 GLXDRCAPOOSGKX-IIDMSEBBSA-N 442.611 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1760118054 XJQDEMWMDQEPQJ-PKOBYXMFSA-N 443.573 1.523 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(C)COCCO2)c1 1760127775 LYEWKTSUQQEDKG-JOCHJYFZSA-N 427.505 1.676 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760182675 IELQSJKTGNZTOM-GCJKJVERSA-N 444.557 1.741 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760183412 OWKBJIIVLVFZMG-QUCCMNQESA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760191898 BANLAZRDWDFKJE-HUUCEWRRSA-N 432.493 1.428 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1-n1cccn1 1760193856 TVIBURBQVNSJRB-UHFFFAOYSA-N 437.467 1.627 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](OC)C(F)(F)F 1760198555 DWWYODFAYCFZDU-QGZVFWFLSA-N 444.421 1.961 30 10 IDEE C=C(C)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760349197 CXFRQJGLYPMXQI-NHCUHLMSSA-N 432.525 1.321 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1760464226 CDTMYOHWUIKDTM-SFHVURJKSA-N 431.562 1.965 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C)CCC1 1761235869 NXPSGZFCAXOMTJ-MRXNPFEDSA-N 437.552 1.983 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCCC1(C)C 1767010770 LRPFNKJNXUEHGT-LJQANCHMSA-N 438.532 1.927 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1769419163 FIENWTZTHDSHFU-ZWKOTPCHSA-N 443.529 1.783 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1770805478 YDGPOTQONVDNLC-ZMSDIMECSA-N 430.488 1.491 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCOCC(F)F)cc1 1771534978 WJBHLSRBVNHNGK-HNNXBMFYSA-N 447.446 1.224 30 10 IDEE COc1nc(I)ccc1OCC(=O)N1CCc2[nH]nc(C#N)c2C1 1849495938 CSSBVKVMXBIPBR-UHFFFAOYSA-N 439.213 1.253 30 10 IDEE C=CCC1(S(=O)(=O)N2CCC(NCCn3nnc4ccc(F)cc4c3=O)CC2)CC1 1853490905 YCXFWMUOGHMNRO-UHFFFAOYSA-N 435.525 1.423 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)c1 1854449461 QINBBPRBXHQLKU-GOSISDBHSA-N 429.542 1.980 30 10 IDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1856540052 HHKJMSJTEHHAGA-CRAIPNDOSA-N 433.505 1.743 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@H](CN3CCCN(C4COC4)CC3)CC2=O)c1 1856770350 CRMKVWCYZLVTSZ-KRWDZBQOSA-N 430.936 1.801 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(OCC)c(F)c3)C2)CC1=O 1856808935 MVGHIDIYFLYULY-UONOGXRCSA-N 442.465 1.107 30 10 IDEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1 1857070970 YYHHOQZGBCZAJR-KRWDZBQOSA-N 425.510 1.999 30 10 IDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862633790 QLGLEQNZRNEHAM-MGNBDDOMSA-N 442.380 1.988 30 10 IDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)Cc3ccc(O)cc3)sc2c1 1866018240 REYRKKDYNWVKQF-HNNXBMFYSA-N 432.527 1.975 30 10 IDEE COc1cc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc(OC)c1OC 1870151274 QUVWXYOSRURLRS-LBPRGKRZSA-N 428.449 1.360 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873594513 UYPJSMXTZQHTNF-ROUUACIJSA-N 442.564 1.683 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)C1 1891234741 FZZVECOXLPNTLC-RTWAWAEBSA-N 435.509 1.786 30 10 IDEE COc1ccccc1OCC#CCNC(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1 1891408751 MOZQXTOSIHPZHA-UHFFFAOYSA-N 449.507 1.812 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2136451760 JONYHPNODOHTJR-OAQYLSRUSA-N 448.329 1.740 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2248406235 ZZLBNGOJHLYIKX-CQSZACIVSA-N 440.371 1.891 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255624057 VMXFPHHTZACMIE-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255809259 VCLFMXNYOJNBIY-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255826355 OTPZOLCLDHHBKF-VNHYZAJKSA-N 432.330 1.694 30 10 IDEE Cc1c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255835279 UMJGZEPDQPIHEX-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255881109 QKARTINATBSJHC-UHFFFAOYSA-N 437.350 1.490 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 2266992063 OJJVTDIHHVGYCX-UHFFFAOYSA-N 449.313 1.092 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2267002457 ZOSVQPHBZNJRIL-UHFFFAOYSA-N 441.259 1.912 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2COC[C@@H]21 2267139706 KAHYIKBRKFFHCK-CABCVRRESA-N 448.329 1.169 30 10 IDEE Cc1c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267142825 ZOQCUFGKEIVECA-RCDICMHDSA-N 446.357 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2267172669 CKLHTGYUKCEONR-ZBFHGGJFSA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267274070 VHCUTCQBPBTOPP-IRXDYDNUSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H]2COC[C@H]12 2267486679 MZBXUHFFAOMFQE-BZUAXINKSA-N 448.325 1.943 30 10 IDEE COC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284393954 RNRKUQICWQTPLW-VIFPVBQESA-N 425.721 1.079 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2312855094 WIBSQAOBEPFDOQ-XNRPHZJLSA-N 432.330 1.837 30 10 IDEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)s1 103112986 JXTAHMSULWLICO-FXBHHXAOSA-N 428.514 1.909 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3nccnc3C#N)C2)cc1 219943913 HKTKMJANUXPCLB-INIZCTEOSA-N 429.502 1.672 30 10 IDEE COc1ccccc1N1CCN(CC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)C1=O 238812007 ANLHKLWQXWDLRH-MRXNPFEDSA-N 436.472 1.669 30 10 IDEE COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)c(OC)c2)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 252634843 WRTHZMHZNDOZGW-IWQHBPENSA-N 425.441 1.051 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(F)c(F)cc2I)CC1 471493543 PTFOTBJUEAPDRB-UHFFFAOYSA-N 449.239 1.629 30 10 IDEE C=CCn1c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nnc1-c1cnccn1 481333467 BLTKMARMNIESJY-INIZCTEOSA-N 431.566 1.486 30 10 IDEE N#CC1(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CCN(Cc2ccccc2)CC1 482722431 JHLPNSVFGHTRKF-UHFFFAOYSA-N 443.507 1.932 30 10 IDEE COc1cc(CC2CN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)cc(OC)c1 482842586 JILQXGLDSIWUEN-HNNXBMFYSA-N 443.525 1.943 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cs1 488793953 QRMKIUIJEJLQGJ-UHFFFAOYSA-N 430.508 1.158 30 10 IDEE N#C[C@H](NC(=O)Cn1cc(Br)c(O)nc1=O)c1ccc(Br)cc1 499425307 XGMPGVHFPSMLPT-NSHDSACASA-N 442.067 1.855 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](NC(C)=O)C1 508498125 POQBJRHIOMSADK-INIZCTEOSA-N 431.566 1.838 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 508643109 ZZBHVVKRAZIBHZ-HXUWFJFHSA-N 429.484 1.852 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)CC1 510874233 XWBSOYQYSNHDBN-SJORKVTESA-N 431.503 1.459 30 10 IDEE C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 554680468 XXLBUDHUPRTTQH-HXUWFJFHSA-N 442.453 1.009 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccnc2)c1=O 556781992 KWQDUCROALXBTK-UHFFFAOYSA-N 433.537 1.462 30 10 IDEE N#Cc1ncn(CCNC(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1 579389565 WIEBRLRGMOBGCU-NSHDSACASA-N 428.806 1.795 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCO2)CC1 670304210 CTQDUJLYPSLOLR-GOSISDBHSA-N 440.548 1.557 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(C#CCCO)cc1F 703992084 YJKKIFVQYHZUEA-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE N#C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CCN1C1CC1 732648383 UDGVWPZXJSNVLK-CQSZACIVSA-N 426.589 1.298 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CC(C)(C)C 733055942 SEAXUPUCOSVDIC-CQSZACIVSA-N 429.564 1.632 30 10 IDEE COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 734814682 FNDBYKHNOXOCHY-QTIQAUKSSA-N 444.488 1.904 30 10 IDEE N#C[C@H](C(=O)CN(CC(=O)N1CCCC1)C[C@H]1CCCO1)c1nc(O)c2ccccc2n1 744424676 UHAJOQABJXYXNP-SJLPKXTDSA-N 437.500 1.615 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2cccnc2N2CCCCC2)C1 749792763 RHVFXJAUEYUYDE-GOSISDBHSA-N 432.569 1.182 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 750433336 YFOMILNWTVIKNG-KRWDZBQOSA-N 432.523 1.921 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CCN1C1CC1 755084277 DDPHAHGYZPXVTO-HXUWFJFHSA-N 431.562 1.494 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2csc(CC)n2)c1=O 758067060 GEXHHHNBHOIRMT-UHFFFAOYSA-N 435.530 1.956 30 10 IDEE COc1ccccc1[C@H](O)CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 762327911 JMEBDDKFFCLFGE-ZWKOTPCHSA-N 445.541 1.998 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C1 780919223 BNWGWNCWSBWNFT-ROUUACIJSA-N 430.505 1.471 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)n1 788695558 UCLRHXSDYAZJAV-UHFFFAOYSA-N 432.424 1.690 30 10 IDEE C[C@@H](C(=O)OCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)n1cnc(C#N)n1 798746393 SERHFCCSDWMKPA-KRWDZBQOSA-N 432.484 1.752 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CC(c4ccc5c(c4)CCO5)=NO3)CC2)n1 802333416 LUQOVQCDFBIKEE-IBGZPJMESA-N 432.484 1.913 30 10 IDEE N#Cc1ccnc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 803851110 ZDUYOCGCWWKZBP-UHFFFAOYSA-N 428.470 1.923 30 10 IDEE COC(=O)c1coc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 809123529 BNAAQCKINZFKSN-UHFFFAOYSA-N 431.195 1.958 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C[C@H]1CCCO1 837858870 DPVVWALRLQZOJN-CQSZACIVSA-N 429.885 1.540 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@@H]2CCCO2)c1=O 917355822 DVBNOKKYQBARQO-SFHVURJKSA-N 448.548 1.825 30 10 IDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)n2N)n1 1084370527 YSLQRGWLCKYPJT-UHFFFAOYSA-N 449.478 1.547 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)ccc1Cl 1115864826 FZGODXIBTJHIOY-UHFFFAOYSA-N 438.937 1.336 30 10 IDEE Cc1nn(Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)c(C)c1[N+](=O)[O-] 1134053504 YBEUQFIGQCIVJT-PXNSSMCTSA-N 443.485 1.467 30 10 IDEE C=CC1(CC(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 1140723420 KCKZCHAKLJXMLD-QGZVFWFLSA-N 431.537 1.954 30 10 IDEE C[C@@H](CC(=O)NCCCNC(=O)c1ccccc1F)/N=C1/NS(=O)(=O)c2ccccc21 1148561481 POSCNAMHAZBYAQ-AWEZNQCLSA-N 446.504 1.579 30 10 IDEE N#Cc1ccc(C2(NC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CCOCC2)cc1 1151444254 OCTOLZKKALMDJT-UHFFFAOYSA-N 430.464 1.952 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)Cc1ccc(Br)cc1C#N)C2 1158987069 SZIOOKYURJJZAZ-OAHLLOKOSA-N 431.294 1.262 30 10 IDEE C[C@@H](CC(=O)N1CC2(C1)CN(C(=O)OC(C)(C)C)C2)/N=C1/NS(=O)(=O)c2ccccc21 1181404545 GNBGHIFYHLSBRF-AWEZNQCLSA-N 448.545 1.583 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)nn1 1191582487 AORJSXUIZWCLDE-UHFFFAOYSA-N 428.268 1.036 30 10 IDEE COc1cc(CCCNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc(OC)c1O 1233770903 IZXUTHZGMCTQGF-UHFFFAOYSA-N 442.520 1.787 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c(=O)nc1O 1235705130 MVDJTDRVSNWPPF-QLFBSQMISA-N 430.262 1.221 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)Cc1cccc(F)c1 1286308205 GLFVOBORRUCXRB-MDKPJZGXSA-N 443.523 1.958 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCOCC2)c1 1286309335 JVKNFITWZYFZOI-IBGZPJMESA-N 436.516 1.712 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286391186 GRMVWSJKOBAADU-IBGZPJMESA-N 443.573 1.586 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286495167 RWMXZOWULKADMA-KRWDZBQOSA-N 427.578 1.998 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286667704 MABJHJPYOHUHAQ-YESZJQIVSA-N 441.598 1.875 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1OC 1286718475 KXNJTAGENQYGMI-MJGOQNOKSA-N 449.577 1.869 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1286726961 LCSCZYHEPVZXFW-ZWKOTPCHSA-N 440.614 1.355 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C)C1 1286787361 TXKOLKAPARXRCB-HNNXBMFYSA-N 431.566 1.777 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1286824094 VKXNPXGFKCRVGK-UHFFFAOYSA-N 445.545 1.945 30 10 IDEE C=CCN(C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1291937383 XQKZMZFOIIJHQH-KRWDZBQOSA-N 441.981 1.899 30 10 IDEE COc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1300307469 KTWYDNVDOQQWBT-ROUUACIJSA-N 426.477 1.436 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(N(C)C)CCSC1 1300456286 YMBGJSFXAICKTL-QFIPXVFZSA-N 437.573 1.699 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1300569224 GXKLHUWBIKVDMX-LNVKXUELSA-N 444.495 1.943 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N(C)C 1300655426 XRFKTOBGIXMTCP-UHFFFAOYSA-N 442.545 1.471 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)OC 1300665073 GTJMMUSFMFXQIU-UHFFFAOYSA-N 427.553 1.963 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1300680965 HXMFTIRQZWPFEP-MRXNPFEDSA-N 443.577 1.482 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)C2CC2)CC1 1300733459 WGBGYIRPUHBZPH-UFYCRDLUSA-N 445.564 1.393 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1300763733 RLYZBQPUXAAZJZ-ROUUACIJSA-N 448.618 1.893 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300764300 WDIGZXIFVUIMFG-KRWDZBQOSA-N 432.594 2.000 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300993472 ACYXSGFHBXNNJZ-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1301066187 OZTUBKWXXKFKOS-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301492002 URGQHXKYBLXXNJ-FQEVSTJZSA-N 435.532 1.966 30 10 IDEE CC(=O)N1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1301769803 FNRMHGCBCAIQCN-DENIHFKCSA-N 429.569 1.466 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1302585569 OZRMSYKRAJSKBK-UHFFFAOYSA-N 426.473 1.571 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1303066504 HQMJTYNVMYACQD-NRFANRHFSA-N 446.577 1.580 30 10 IDEE COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1315800832 WCZQEHLAPGDRBK-GOSISDBHSA-N 436.520 1.538 30 10 IDEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1316266327 KJXWOAAKYWGBMC-KRWDZBQOSA-N 444.511 1.782 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358924866 LTWOQXZEYXUNSJ-UHFFFAOYSA-N 445.527 1.501 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358961262 VKISUSOCRPSYAB-QINHECLXSA-N 432.550 1.159 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359031973 WNLRSNANTCOKFE-NRFANRHFSA-N 431.544 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)C(C)C)CC1 1359047289 ZRGCGOWLXCOWMS-GOSISDBHSA-N 430.553 1.037 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1359054759 GKZHZLROZCYNKW-OAQYLSRUSA-N 449.584 1.957 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1359060831 IYHDPRBTSBASDJ-SFHVURJKSA-N 429.546 1.947 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359227096 SNYGFGINSOYUTE-MSOLQXFVSA-N 429.525 1.616 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC(C)C)C1 1359312232 PYIVHHYSXCCRRH-INIZCTEOSA-N 427.509 1.621 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc(C#N)n1 1437071107 AADIHLAVABHVGO-UHFFFAOYSA-N 429.502 1.540 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1448184064 BPVIBQXUHYAQST-DOMZBBRYSA-N 430.324 1.534 30 10 IDEE COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NCC2(C#N)CCOCC2)c1 1464800111 ICARIQUAWBMNIX-UHFFFAOYSA-N 435.271 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)NCc3ccc(C(=O)NO)cc3)=NO2)C1 1467530608 WKMCXASKXPWATR-NRFANRHFSA-N 432.477 1.968 30 10 IDEE CN(C)CC#CCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1471035935 PBZHCFUJOPPOGZ-WMZOPIPTSA-N 441.391 1.724 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc4cc[nH]c4c3)CC2)cc1 1473267427 WBJKAQJLQJILKY-IBGZPJMESA-N 440.525 1.786 30 10 IDEE N#C[C@]12CN([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1473850784 SGZQGUFESRJHLC-YLQAJVPDSA-N 429.420 1.561 30 10 IDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)c1 1476553683 CQIJDTGBMVSYQQ-UHFFFAOYSA-N 426.502 1.531 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503440684 DBJCZNSLIGRTAK-ZPHPHTNESA-N 429.525 1.423 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1503639893 SNVJDKGYWLFMCH-RTBURBONSA-N 444.561 1.856 30 10 IDEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1504375452 BAAIACFPXIHKJS-UHFFFAOYSA-N 445.545 1.633 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)C(C)C)CC1 1504530332 HSKCRYVZJGHMNH-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE COCCN(C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504858938 OAOQUZRJXAISGY-IBGZPJMESA-N 444.609 1.389 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1507514126 BWMDIRVOOABEAO-CVEARBPZSA-N 432.550 1.085 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1507533519 NRNWBVMARRRHFC-SFHVURJKSA-N 449.559 1.855 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507630540 BOPQMGIUFNKEKZ-KRWDZBQOSA-N 446.577 1.011 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1507669064 GXLNDORQTGBXDM-OAHLLOKOSA-N 433.559 1.294 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507738670 UZHRYDMOOCBKSW-GOSISDBHSA-N 426.565 1.770 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1507751308 MHBKXXISWDNVFM-GOSISDBHSA-N 447.586 1.498 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1C1CC1 1507764261 KWZUQRHHCSRKIL-DJPFJPOOSA-N 434.610 1.897 30 10 IDEE C=CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507953129 GNEZQWATQPOLAT-FQEVSTJZSA-N 441.598 1.757 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1508071760 MAKOTEKREDXBFA-KRWDZBQOSA-N 430.484 1.436 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1508087076 NJPKJGJHQJVKJP-GJZGRUSLSA-N 429.525 1.227 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508088316 GAVKPMPQXLMCCI-RBUKOAKNSA-N 443.552 1.193 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCN(CC)CC2)C1 1508125832 RRXJVPBLMRBIMF-SFTDATJTSA-N 432.613 1.981 30 10 IDEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1508152455 MRBPKJBBIRFAOC-HNNXBMFYSA-N 448.597 1.177 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508183004 KPPJCEASEQDVGV-NXDJFEHLSA-N 443.552 1.407 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1513195961 FQERXOHRSXSHAW-QGZVFWFLSA-N 448.531 1.890 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1514253803 FGJVKSYXMAJFMK-QFIPXVFZSA-N 426.521 1.663 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1519289982 XBWZWENGBPWEGL-AWEZNQCLSA-N 437.522 1.528 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1519600530 ZLZMAZNEPIITIN-UHFFFAOYSA-N 447.540 1.432 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1532404530 FSUHUCGSTJLKKB-SJLPKXTDSA-N 429.473 1.667 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1539200632 MROCKHPTGWWOBL-HOTGVXAUSA-N 437.591 1.036 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1539204079 YMVXNMAFRJURNP-FGTMMUONSA-N 430.578 1.877 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539206778 VXRYLGMSHUSSEK-MRXNPFEDSA-N 434.518 1.287 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1539290747 LUDZSFWRXVAUIK-LJQANCHMSA-N 434.548 1.380 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2cnn(C)c2)CC1 1539480961 HPLDTFQXLFMYRQ-LJQANCHMSA-N 425.537 1.114 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539774783 DWGBTKGZFZUXBL-QWHCGFSZSA-N 448.977 1.744 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1540026862 KXKAMHUFPWPXPJ-MRXNPFEDSA-N 439.524 1.408 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1540865306 BDMSATAZOHDEBN-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCOC2)C1 1540885769 OYDQVWHZQXWAEU-UWJYYQICSA-N 448.545 1.281 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540900382 TWIARVRLPWWEDT-AZUAARDMSA-N 445.589 1.703 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1555802984 AZFARDZUDCHZTQ-SFHVURJKSA-N 440.533 1.684 30 10 IDEE COC(=O)c1cn([C@H]2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2)nn1 1556110822 FTSOAWAMXMDSDK-INIZCTEOSA-N 440.309 1.760 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CC1 1557719319 XCHOQPCJCSYOIX-UHFFFAOYSA-N 442.545 1.622 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)C1 1558328854 GLIVSNXKQDVBQE-YXOXSWSVSA-N 435.615 1.912 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)CSc3ccc(C#N)cc3)CC2=O)C1 1558694529 SRWOSZPMXRWYAZ-HNNXBMFYSA-N 430.530 1.987 30 10 IDEE C#CCC1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCOCC1 1563968070 YDXTUYHKMHFCGA-SFHVURJKSA-N 428.537 1.154 30 10 IDEE COCCS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1564559824 QGVCJBPPZMDRGR-FQEVSTJZSA-N 431.514 1.853 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCC1CCN(CC#N)CC1)N2C(=O)OC(C)(C)C 1565738101 ICHQHCWYKQSRLP-XLAORIBOSA-N 434.537 1.525 30 10 IDEE C=CCC[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1569184170 LOTOIVBNMRHMLJ-GHYICZDASA-N 429.517 1.914 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC 1584771290 SDSBHDOGMSACQA-QGZVFWFLSA-N 446.573 1.880 30 10 IDEE COC(=O)C[C@@H](C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1587763702 QSYQVQDEICIAHX-ZRSCRABMSA-N 448.564 1.869 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1588180125 BLGULYWSDBPZII-IEBWSBKVSA-N 432.594 1.368 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1588749832 AJSNXZKFUUNEBI-HSZRJFAPSA-N 443.523 1.881 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CC1 1588769259 QRZKOSHTUFTMOP-UHFFFAOYSA-N 433.560 1.419 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593621792 ZOMLYHZLGZUQCF-RHSMWYFYSA-N 438.488 1.128 30 10 IDEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1593909027 WYAZNTYELYWDMD-KRWDZBQOSA-N 428.924 1.353 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595507026 UCSFISDESCOZAK-OAHLLOKOSA-N 443.939 1.791 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1611618877 DZPLSKUQGQGDST-GOSISDBHSA-N 429.569 1.612 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1620086803 AFCFHNZVHVLMLE-JTAQYXEDSA-N 440.548 1.577 30 10 IDEE C=CC[C@H]1CCCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1620214819 MJRBXHGXKUFGAP-KRWDZBQOSA-N 437.562 1.943 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCN2C1=O 1629543291 OGJFUDBIWTYTFV-CJNGLKHVSA-N 429.864 1.059 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 1632436088 QHZZNQNRNZFBET-UAPYVXQJSA-N 432.523 1.594 30 10 IDEE C=CC1(CC(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2cccnc2)CN(C(=O)OC(C)(C)C)C1 1635488168 QITFSASDVSFPAR-MSOLQXFVSA-N 433.505 1.976 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2C(=O)OC)OCCCO3)c1 1635670891 ZQSUQRBEMMVSCG-UHFFFAOYSA-N 444.465 1.798 30 10 IDEE COc1cn(C)nc1[C@@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1639303153 FCTHNVCSSJFZDI-CQSZACIVSA-N 433.534 1.905 30 10 IDEE CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1641400501 LXXKUYKCPXJTIT-IAGOWNOFSA-N 442.472 1.332 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C2CC2)C1=O 1651829066 BUVBGZLFYVVMIH-LJQANCHMSA-N 427.457 1.516 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)c1 1683744362 OASYBYDVODLHFJ-UHFFFAOYSA-N 436.534 1.804 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 1686714238 NQEAMHHLMARPRI-GOSISDBHSA-N 435.525 1.310 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1689831667 PBSACPFOPSGMEJ-KKSFZXQISA-N 432.546 1.840 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1689889138 ZNPOUNJHBPXXEH-FQEVSTJZSA-N 434.544 1.924 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689994010 PHAWNYAXITYINA-UXHICEINSA-N 442.589 1.375 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1689994112 RFLPBCUPVBHXKK-HXUWFJFHSA-N 436.541 1.528 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1689998363 KGJOQQXYTVJJRE-FHWLQOOXSA-N 436.578 1.985 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCC(O)CC2)CC1 1690128387 CKBJVHUADRDLLG-UHFFFAOYSA-N 436.604 1.779 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1690148402 FWXKGADVVVGGJI-HDICACEKSA-N 430.597 1.694 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1690204805 TVKDIQUWINTIMF-OXQOHEQNSA-N 448.549 1.272 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1690497190 JSOICCSNAKCYFN-YJBOKZPZSA-N 429.612 1.814 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCOCC1 1696676335 LEOFGEZJEXFYCK-FQEVSTJZSA-N 437.548 1.850 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@H](C#N)C2)c1 1697017672 FSBJFZCNPDHHOD-MRXNPFEDSA-N 442.501 1.532 30 10 IDEE COc1cccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 1697541186 RNLIDNWBULIEKB-MRCUWXFGSA-N 437.504 1.448 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1698317959 RVBGTWJHLDSHJR-RTBURBONSA-N 444.561 1.904 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1O 1698442509 ATSHKJHCRSCLBG-MNEFBYGVSA-N 438.532 1.851 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705524898 UUJQWKRSUOGUSJ-LPHOPBHVSA-N 442.545 1.751 30 10 IDEE C#CCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705538987 GNTWFYCHBJIKJE-SFTDATJTSA-N 436.578 1.747 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1705572375 ZGEPLWKLBDSBNP-UHFFFAOYSA-N 425.514 1.039 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)NC 1705577244 YHKKGWWESIHGRS-OAHLLOKOSA-N 431.587 1.753 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(C)cn1 1705611203 SZXQFBOIMRMLEC-UHFFFAOYSA-N 426.550 1.903 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1705612892 RTCCQZDPJUCXKF-IBGZPJMESA-N 447.561 1.922 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1705694880 UFXJRMIABXIXIJ-PXNSSMCTSA-N 444.580 1.989 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1705695128 ADNNVZCJBZSXLK-HZMVEIRTSA-N 427.571 1.485 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC1CCOCC1 1705901717 UXNZTZJVIQATCH-UHFFFAOYSA-N 430.509 1.561 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706024017 IKWWGQLAFDCOQU-DVSFIDLUSA-N 443.552 1.498 30 10 IDEE CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)COC1 1706162274 VSFBRSVJRKPTFQ-JKSUJKDBSA-N 448.524 1.195 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1706674901 PFDKADSSHUSKCV-UXHICEINSA-N 439.582 1.883 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNc1ccccn1 1706880144 PHKUVEIYJVZYLQ-JXFKEZNVSA-N 446.581 1.916 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1708249442 NGIZBOXTFRTITH-PBHICJAKSA-N 429.475 1.871 30 10 IDEE CCN1CCN(CCCn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710300539 CTRXUDHKZFBCMY-JOCHJYFZSA-N 426.544 1.733 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1711015475 CFYYCJZGZASGNM-UHFFFAOYSA-N 439.520 1.474 30 10 IDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1712670545 HTSAGLCGWUHHET-OAHLLOKOSA-N 438.410 1.632 30 10 IDEE CS(=O)(=O)CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1)C1CC1 1712699186 MHFDNCRUIIQFGC-UHFFFAOYSA-N 426.502 1.790 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722338223 GGFDZJJESWLXMW-OAQYLSRUSA-N 436.560 1.670 30 10 IDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722338932 NJCVELUQNSZKMF-UHFFFAOYSA-N 436.560 1.650 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367963 NSDHJLKXTOBYMP-ROUUACIJSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722371884 ZLJYZCIDKALBMP-WMLDXEAASA-N 435.550 1.850 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC1CC1 1722405697 PNCIBTOYVQTDGM-UHFFFAOYSA-N 443.577 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2cccc(F)c2)CC1 1722447268 KOUURAUQXBFXIA-GOSISDBHSA-N 441.507 1.966 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)C1 1722717626 CQBLKRHVAVXXKU-ZBFHGGJFSA-N 437.522 1.144 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722727537 MJZQMKVSEVTEHN-QGZVFWFLSA-N 444.565 1.924 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723583116 HKRDQSDIUMVPBH-UHHPSXQGSA-N 429.525 1.425 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc1 1724437561 FFKHTFPEVMLOBW-FPOVZHCZSA-N 440.548 1.863 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncn(-c2ccccc2)n1 1727229599 GBJMHKCEHUVJSM-SFHVURJKSA-N 449.519 1.554 30 10 IDEE CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1728202346 GZWRCMLSPJUNHV-UHFFFAOYSA-N 433.520 1.403 30 10 IDEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1729985856 IAFCBFGBNWIGIN-BTYIYWSLSA-N 444.467 1.099 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCS(=O)(=O)C1 1730933864 WGZUAQFHNDGBNK-NCOADZHNSA-N 425.555 1.423 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CC1 1740553937 VQADCXJQFVWZFW-XHDOVSQSSA-N 427.578 1.821 30 10 IDEE C#CCCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740579753 VXQUHPLOIIPHHU-FQEVSTJZSA-N 439.582 1.205 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740581680 DFUHAKUMNDJYAK-AEFFLSMTSA-N 427.530 1.477 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740716752 YKMYPIBURRHMPM-ZWKOTPCHSA-N 442.593 1.721 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCNS(=O)(=O)CC 1740727386 JJGCQXDCOMZUBD-OAQYLSRUSA-N 447.561 1.894 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O 1740758392 XBTAHPJVAFLJBB-VYDXJSESSA-N 425.555 1.081 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1740865925 WKUNRWHYNCPIAU-QGZVFWFLSA-N 435.554 1.394 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740873615 CWSYNXRGDJWKLU-SFHVURJKSA-N 431.585 1.576 30 10 IDEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C)C1CC1 1740910195 LPLRHRLOGUFBAZ-GOSISDBHSA-N 433.534 1.837 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740959467 WKLAOQBDHYGNEX-AWEZNQCLSA-N 428.518 1.352 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1741124764 HCQWWDUFEACASP-NSHDSACASA-N 446.313 1.843 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1744770859 KKRPDWYZZIAQSA-MOPGFXCFSA-N 440.504 1.249 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1747421102 UHIWTJADPACEPD-FQEVSTJZSA-N 428.518 1.110 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1 1747978511 KKHQVQKRZHXNSE-UHFFFAOYSA-N 432.481 1.506 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cnn(C)c2)c1 1748690153 NEMAEROZGQEWNF-UHFFFAOYSA-N 446.515 1.352 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748812652 YQBJNMMFMPGBEN-HNNXBMFYSA-N 432.550 1.062 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748820701 HMJXJBKNFOQXPR-WOJBJXKFSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1748830047 NXSIWZILDMORDD-NFBKMPQASA-N 429.565 1.360 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1748863656 CBOHBVFGPYBTSV-IAGOWNOFSA-N 448.618 1.716 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748892059 IFJCKLYQJVDTLK-ZCNNSNEGSA-N 447.605 1.142 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1748918357 BQIRMAIXIIJXCR-OAQYLSRUSA-N 425.514 1.502 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749048414 NMWFATGBDRAMPI-MRXNPFEDSA-N 442.545 1.446 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1749665784 CKPWKRRMQWKDAA-MRXNPFEDSA-N 448.531 1.963 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1749680206 GXGPOMRHJPNZCC-KRWDZBQOSA-N 442.520 1.273 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)CC2)cc1 1749684538 ZDKJXIKBPVDKDI-HXUWFJFHSA-N 440.548 1.611 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1750008053 NFOGEJONIQIEFX-WMLDXEAASA-N 429.481 1.133 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1750355726 GPFVLELNVJOIQW-INIZCTEOSA-N 444.561 1.856 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1750923778 GGLSGQZYXSFQFT-VFNWGFHPSA-N 428.493 1.704 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1760147571 VSGOHKNDSGXMTA-MRXNPFEDSA-N 446.577 1.427 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@H](C)CC 1760215422 ZRSKASYWHBKEDX-GOSISDBHSA-N 445.531 1.689 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760283839 AXCXWVCVKNFFKJ-QGZVFWFLSA-N 432.594 1.652 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1760338452 KYPZGTGSGRPCLE-OAQYLSRUSA-N 434.562 1.830 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1760361541 MOPWQKRKRVKUON-UWJYYQICSA-N 434.541 1.079 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1CCCO 1761020229 BEDATXJRTIPDHJ-LJQANCHMSA-N 439.564 1.858 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1761292043 SQZLUSIGPMSNOY-KKSFZXQISA-N 444.492 1.070 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)n1 1761961833 YPGKTKOSHRKAIL-PKOBYXMFSA-N 449.490 1.861 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc([C@@H](C)O)cc2)CCOC1 1767481116 AQKIXGBMQFDEMU-ZWDAVXSWSA-N 427.505 1.761 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1769177228 HJGMOVZMMGTFJJ-JPYJTQIMSA-N 435.532 1.962 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1769272200 KMVRDVSNFHRIFH-SFHVURJKSA-N 429.500 1.011 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1769677112 QWVRXRYIRQPFEP-SFHVURJKSA-N 433.534 1.779 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1-n1cccn1 1770049662 FMRASISTDBZHCU-MJGOQNOKSA-N 437.504 1.965 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1770976561 CLIPHZRKBVBQCC-WMZHIEFXSA-N 438.532 1.805 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)(F)F)CCO1 1771538611 FWBVPTGNIUOELL-CQSZACIVSA-N 447.421 1.757 30 10 IDEE NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772792144 HPVVELHEQRYCCD-OAHLLOKOSA-N 429.816 1.458 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN(C[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)c1 1855070839 SMPWWWKPMQXIKG-YLJYHZDGSA-N 429.542 1.694 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1856412284 QJIFIOYAYLIRTJ-IEBWSBKVSA-N 432.546 1.593 30 10 IDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC(N(C)C)CC2)cc1=O 1870388323 QOMKMKPVJQFWFF-UHFFFAOYSA-N 434.562 1.635 30 10 IDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871555177 RQYBIXMQYNWWIA-UHFFFAOYSA-N 446.353 1.948 30 10 IDEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633388 YJZSTTVNJAXIEM-MRXNPFEDSA-N 449.515 1.454 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OCCOC)cc3)CC2)CC1 1890348270 WKJYHMONLJOGGU-UHFFFAOYSA-N 443.588 1.974 30 10 IDEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC(COc4nccnc4C#N)CC3)cc12 1891756789 USWQEPHOITVOQE-UHFFFAOYSA-N 427.490 1.418 30 10 IDEE N#Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1891888877 CDYPQCKYBWGXBN-UHFFFAOYSA-N 449.423 1.775 30 10 IDEE C=C(CS(=O)(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)B1OC(C)(C)C(C)(C)O1 2247953906 WXKKAUMFPSHHRJ-UHFFFAOYSA-N 440.293 1.894 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255598662 YAALARBAVGMQAW-CFVMTHIKSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2255633185 XJKLLTFGRYSVGT-ZSEKCTLFSA-N 432.330 1.838 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2255636204 QYFDZQPGJFPHEG-DZGCQCFKSA-N 434.346 1.845 30 10 IDEE CCn1cc(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255807409 SYYOPTGTGMRKEB-KBPBESRZSA-N 434.346 1.988 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255812327 GWGLXJDSLYWCTE-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255828049 BPJGMGONSDHYRT-KBPBESRZSA-N 434.346 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255873398 KVXDSNJTXMXEKQ-GJZGRUSLSA-N 435.330 1.346 30 10 IDEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256623904 IEEBTJMAWYSEGO-QGZVFWFLSA-N 434.342 1.830 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2259345125 CTXPTHUBUAZCNU-STQMWFEESA-N 435.334 1.147 30 10 IDEE Cc1nc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268628775 MMGZDBSLCISTSJ-UKRRQHHQSA-N 448.329 1.393 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1C[C@@H]2CC[C@H](C1)C2=NO 2285897214 SNXRJBZVBUEYLB-TTZQPYFCSA-N 437.493 1.949 30 10 IDEE COc1nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)ccc1B1OC(C)(C)C(C)(C)O1 2339786750 QWBSMEUBQFPLHD-OAHLLOKOSA-N 449.357 1.807 30 10 IDEE CN(C1(C(=O)O)CN(C(=O)OC(C)(C)C)C1)[C@@](C)(C#N)Cn1cc(Br)cn1 2371783537 PKEBRGHBMRLVQJ-INIZCTEOSA-N 442.314 1.934 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1 23057945 OCDHPTPFQPNSGP-UHFFFAOYSA-N 428.562 1.196 30 10 IDEE O=[N+]([O-])c1ccc(O)cc1/C=N/c1nnc2n(/N=C/c3cc(O)ccc3[N+](=O)[O-])cnn12 104622331 MJLQYGQDBOOGTG-NDILIQOGSA-N 437.332 1.786 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)NC1CC1 105283467 IEKHZTOAPZAOIM-UHFFFAOYSA-N 441.513 1.365 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 410226741 YRTKEURUHUEBFK-HKUYNNGSSA-N 447.561 1.636 30 10 IDEE CCO[C@@H]1C[C@@](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)(C(=O)OC)C1(C)C 444560209 CVNNAYOIZQTQEY-OXQOHEQNSA-N 437.518 1.355 30 10 IDEE CCO[C@@H]1C[C@](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)(C(=O)OC)C1(C)C 444760684 KOLRCPTZBXYMNR-CECAUBDESA-N 448.589 1.793 30 10 IDEE CCOC1CC(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)(N2CCOCC2)C1 445115180 GEHNYYJLIVJKBU-UHFFFAOYSA-N 425.493 1.530 30 10 IDEE CC1(C)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]2CCCO[C@H]21 466133114 MVRNAFOKSYERRW-QXAKKESOSA-N 432.546 1.778 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)c(F)c1 480718250 CUOMDRLPDMKXBO-UHFFFAOYSA-N 434.468 1.923 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 483100344 NNCAEDIELZETRA-QAPCUYQASA-N 432.546 1.522 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 490279736 QXGHETPIHBMMHR-KRWDZBQOSA-N 429.502 1.104 30 10 IDEE CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 503647225 YDUBEKGWNHUGNV-UHFFFAOYSA-N 432.546 1.838 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCNC(=O)C[C@H]3c3ccccc3)C2=O)cc1 504707398 KSMQICOMMNPRAF-UXHICEINSA-N 445.479 1.853 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 508477506 LQSRTTLPFAJLSO-QGZVFWFLSA-N 428.449 1.423 30 10 IDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)c(C#N)c1 511020611 ZGTJWWANAGEQOG-UHFFFAOYSA-N 431.898 1.916 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1F 520970433 IEWRZQNMXNWBOO-INIZCTEOSA-N 429.517 1.564 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 522275564 NUFIUEHVGJGLJY-UHFFFAOYSA-N 427.482 1.727 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC2)cc1 532642484 MTWSUQOUQOZUNE-VQTJNVASSA-N 432.546 1.035 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 538010067 QGDUVSHNVBTMPE-OAQYLSRUSA-N 426.561 1.745 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCO2)CC1 559224192 JXNCGHHIQPVVSP-LJQANCHMSA-N 439.564 1.642 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)n1 570020376 QLPBLLUVGLWYDT-UHFFFAOYSA-N 432.505 1.143 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccn3)CC2)cc1 575825240 BACXWNJPVLNQJY-UHFFFAOYSA-N 428.470 1.277 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cc1 604002037 JIOIPGOETRCNOP-UHFFFAOYSA-N 442.500 1.561 30 10 IDEE CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)ccc1Cl 609256639 BMOXVMQSXQTALO-UHFFFAOYSA-N 438.868 1.856 30 10 IDEE N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCN1C1CC1 732663633 AWMBIWNLYIRRSI-OAHLLOKOSA-N 441.351 1.316 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1C1CC1 732664480 PHTSEEWLBAPZEC-QGZVFWFLSA-N 429.546 1.484 30 10 IDEE C#CCCNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 733246406 FHEMCPZBTWZVBC-UHFFFAOYSA-N 441.491 1.596 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 733890422 FPSPFJUWMWRLHJ-QBEKEKFNSA-N 432.908 1.746 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741339364 FXTQXJDLESEPMB-DQRAZIAOSA-N 437.456 1.887 30 10 IDEE Cn1cc(C#N)cc1C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 751729951 RRSLCUXEXXKSHU-UHFFFAOYSA-N 444.513 1.545 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](OCCN2CCCCC2)C1 759637161 PBQSKNGJAIGVKP-QGZVFWFLSA-N 434.562 1.219 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cncc3ccccc23)c1=O 772898446 MCWNXVWJVZSIBW-UHFFFAOYSA-N 434.521 1.230 30 10 IDEE NC(=NOCC(=O)NCc1cnn(-c2ccccc2)c1)c1ccc(N2CCC(O)CC2)cc1 774825935 IRHHVHDGKYJQGT-UHFFFAOYSA-N 448.527 1.787 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CCc3ccc(OC)cc3)cc2C1=O 778890068 AYOMVAFOEHDTJT-UHFFFAOYSA-N 428.466 1.780 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(OC)CCC2)cn1 779756199 QGFNLJATHTVBNW-MRXNPFEDSA-N 449.577 1.659 30 10 IDEE C[C@@H](c1ncn(C)n1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 780310789 SCLYKDZLUFQLFA-HOCLYGCPSA-N 429.550 1.576 30 10 IDEE Cc1ccc(F)c(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)c1 782697245 IEVRDVXIGBIDLY-UHFFFAOYSA-N 444.289 1.869 30 10 IDEE C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2c(Br)cnn2C)c1=O 782791704 BEEBRFPGBYPCAW-UHFFFAOYSA-N 433.331 1.157 30 10 IDEE NC(=O)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cc1 784125102 MSBFVVZMQLAVIT-MRXNPFEDSA-N 441.517 1.068 30 10 IDEE C=CC[C@]1(C(=O)NCCS(=O)(=O)N2CCSCC2)CCCN1C(=O)OC(C)(C)C 790597446 SAZCYWHWEQDNEJ-LJQANCHMSA-N 447.623 1.827 30 10 IDEE COC(=O)[C@](C)(NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 794711372 MJNKMXBXFSXSFY-YEJXKQKISA-N 447.488 1.847 30 10 IDEE N#Cc1ncn(CCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 795174489 AXVKPNNYCQTCHV-HNNXBMFYSA-N 427.465 1.589 30 10 IDEE C=CC[C@@]1(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 805482128 BNCNXSGUWQWBNH-UZLBHIALSA-N 444.598 1.719 30 10 IDEE C#C[C@H](NC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 810470126 COXGMGWVGLJXJO-CVEARBPZSA-N 434.905 1.634 30 10 IDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)CC2 813981360 MXGCGOQPLLNQSV-NSHDSACASA-N 425.392 1.681 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ncc(Br)cn1)c1cc[nH]n1 817272678 NBHNLVKKKLPKHA-SECBINFHSA-N 425.243 1.123 30 10 IDEE CN(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 916178814 PXILPZRNYCEKNP-UHFFFAOYSA-N 441.918 1.478 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@H](C)C(=O)N3CCCCC3)cc2C1=O 918812583 QCSAERUQBQKLOW-CQSZACIVSA-N 427.457 1.143 30 10 IDEE N#C[C@]12CN(C(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)C[C@H]1CS(=O)(=O)C2 1134428996 KKWDKGFDCNDMDQ-BLLLJJGKSA-N 425.392 1.296 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1c1cnn(C)c1 1136265348 YQVXBWQIKPVMLI-VAMGGRTRSA-N 432.440 1.608 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 1136609921 GKJFXRQCFLWPAT-UHFFFAOYSA-N 435.322 1.466 30 10 IDEE C#CCN(C(=O)c1cc(F)cc(I)c1N)[C@@H]1CCS(=O)(=O)C1 1142047087 XAGJDGYNIQXJOJ-SNVBAGLBSA-N 436.246 1.275 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1=O 1155857219 CZRQYNPWQWFYHN-HOLBHBGLSA-N 427.567 1.380 30 10 IDEE Cc1ccc(C(=O)N[C@@H](C)C(=O)NCCc2ccccc2)cc1S(=O)(=O)NCC#N 1158135772 ISIGCNFPSGOVKF-INIZCTEOSA-N 428.514 1.274 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc4ccc(C(F)(F)F)cc4nc3O)C[C@H]1CS(=O)(=O)C2 1178756874 HBICGIOTRDFMHZ-SJCJKPOMSA-N 425.388 1.970 30 10 IDEE CCc1nn(C)cc1S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1192228619 CHJRIHSXFFCTKO-UHFFFAOYSA-N 425.518 1.755 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1228784901 ZQFDUZREXGAQMD-UHFFFAOYSA-N 443.525 1.923 30 10 IDEE C[C@@]1(C2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1248375426 LUYYSTWTRKCGLA-AVRDEDQJSA-N 425.489 1.579 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1286287561 FVMBTQNSXBXKQP-QVKFZJNVSA-N 425.514 1.501 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286384187 QCKBXYZGKIANIL-GOSISDBHSA-N 429.502 1.218 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1286389142 YNYROZGJKRBXOE-HUUCEWRRSA-N 441.916 1.605 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(F)c1 1286408289 BNPAYOKIXUGYGA-KRWDZBQOSA-N 430.505 1.643 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286596177 ZVCNOMXCGYFNHL-UHFFFAOYSA-N 428.459 1.872 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1286742978 SWWNBXDKNJWQNX-INIZCTEOSA-N 444.561 1.868 30 10 IDEE C=CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1286777619 IZMHCRVVWDKDOQ-OLZOCXBDSA-N 429.453 1.317 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1286791500 ULPGRDCPEZGNEJ-UHFFFAOYSA-N 434.491 1.800 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286814878 HJFCCTLWBZEXSW-INIZCTEOSA-N 447.561 1.612 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1286822313 CRLUUPTXZYWNDQ-UHFFFAOYSA-N 445.549 1.140 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825710 VKMYKMYWEZAPJX-QFBILLFUSA-N 428.555 1.145 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1288320760 CSLUREJPSAOCIE-GCJKJVERSA-N 446.552 1.450 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCC[C@H](O)C1 1297287368 BLFJHCAOSMRNPT-MJGOQNOKSA-N 425.537 1.959 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1300300940 MMORRAYIQZMWAI-GDBMZVCRSA-N 443.363 1.740 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300487436 JJQHRYDBKRNGBR-CBGDNZLLSA-N 431.562 1.461 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300502294 RWHJCQKIHGZLGF-GOSISDBHSA-N 447.586 1.607 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1300509373 KKWBITXTDXIHNM-SFHVURJKSA-N 427.892 1.350 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cn3cccn3)cc2)CC1 1300681705 ZDTBYYIGQXVRCZ-UHFFFAOYSA-N 446.559 1.465 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCS(C)(=O)=O 1300895651 UJKLKCYLISNIPL-FJIDUMEYSA-N 442.582 1.464 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 1301086931 PLNMSHDKKADFHK-SFHVURJKSA-N 438.598 1.253 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301197466 UIERSWRVYZMALL-SJORKVTESA-N 437.570 1.265 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@H](C)O1 1301358758 DEBKNHHLUVFCIQ-XWFZLUIHSA-N 427.505 1.862 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1302474875 CSVKXBIOTOZLIG-UHFFFAOYSA-N 440.476 1.180 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](COC)C2)C1 1314259329 AICMANOAQWLXSQ-GUIDAWGDSA-N 441.532 1.987 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1 1316101206 IREHMJKFSRSJHZ-KRWDZBQOSA-N 429.500 1.849 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1316354813 FDKXQZXQSNCYOK-KRWDZBQOSA-N 444.561 1.497 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 1319566765 NNKMIMMLMPHJIW-CYBMUJFWSA-N 427.529 1.484 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1358889661 FIQPWUWHWBGJRC-RHSMWYFYSA-N 437.953 1.771 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358963703 MQKHESUGLDWGMM-ZWKOTPCHSA-N 436.578 1.494 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358964535 ASVIPLILONQDON-SFHVURJKSA-N 443.504 1.979 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC(=O)N(CCOC)C1 1359001979 JDJYBDNPYRXMLM-AWEZNQCLSA-N 449.353 1.990 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cnn(C)c2C)n1 1359028248 LYMTVTXBCQTSLL-SFHVURJKSA-N 438.536 1.355 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CC=CCO2)n1 1359028321 OARPMIBERCRRHB-UYAOXDASSA-N 426.521 1.610 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 1359040370 RHLBQGNLNSNMQJ-CALCHBBNSA-N 432.569 1.575 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359133631 WNWAFKWEIDOHJX-MBOZVWFJSA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359304803 KBWOVFDPOYPLHT-OAQYLSRUSA-N 428.562 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(N)=O)CC1 1359329379 HHTWJXSHKUROMG-UHFFFAOYSA-N 438.941 1.296 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359385659 HVXHDPDCRTYZSM-FQEVSTJZSA-N 435.532 1.744 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1360470296 OOFKRMVZMQHUNV-AWEZNQCLSA-N 433.494 1.627 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCC2CCN(CC#N)CC2)cc1 1443996252 CLPDEPZBXBSRHI-TZIWHRDSSA-N 448.589 1.286 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCC#C[Si](C)(C)C)cc2)CC1 1453117996 HGOGHYYIYTVRPN-UHFFFAOYSA-N 435.622 1.540 30 10 IDEE Cc1ccc2c(c1)C(=O)N(CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)C2=O 1457779665 SNIZUHQAHHSURH-UHFFFAOYSA-N 443.257 1.774 30 10 IDEE COCCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C(C)(C)C1 1460328131 GQELCKRDQNRCRJ-OAQYLSRUSA-N 431.556 1.577 30 10 IDEE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCc1ccc(C(=O)NO)cc1 1467528369 VTBXGHMWRDGAFW-MRXNPFEDSA-N 430.848 1.980 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1469219697 FFWPFHHAVIRHDI-SCNOPHJPSA-N 434.518 1.208 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cc[nH]n1 1470214261 JQOVSKFNMBREKK-CXAGYDPISA-N 440.378 1.744 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1 1472319355 UQLABXOKFFUYLQ-MUUNZHRXSA-N 439.603 1.910 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)CC1 1473551132 CKAKQKFHYRHMHV-XUVXKRRUSA-N 437.569 1.658 30 10 IDEE CCC1(N2CCOCC2)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1478567156 GZWMKCFIEYMBNP-NRFANRHFSA-N 439.560 1.946 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)n1 1492754130 QUKZKWDNZMOGBN-VQTJNVASSA-N 442.568 1.105 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)o1 1505315830 BYZYUZMGERGYSB-OAHLLOKOSA-N 437.426 1.817 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507627058 IHWIBQVWHJBRPW-SJORKVTESA-N 436.509 1.565 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1507661392 UFQYHHRKTIEFFH-WIYYLYMNSA-N 434.562 1.218 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(C(C)=O)C1 1507714869 YUUCEZGPPIXTIU-UFYCRDLUSA-N 433.553 1.347 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2nccc(C(F)(F)F)n2)CC1 1507723536 LQKNLHOBMDMLFR-UHFFFAOYSA-N 443.437 1.542 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(C)(C)O)cc2)CC1 1507726119 FIZOYNXKEVXPLV-UHFFFAOYSA-N 436.560 1.431 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1507747330 JBXIDQSIHYAXSO-HNNXBMFYSA-N 429.546 1.996 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507799437 KAFANHRGPZHKJD-UFYCRDLUSA-N 426.521 1.663 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507808361 YGSCUTFETFDOAN-ICSRJNTNSA-N 446.577 1.327 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508080147 KZGOFMBFZUNKFF-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1508091799 WNVFRSKAFIPCBM-MRXNPFEDSA-N 426.525 1.245 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C2CCOCC2)C1 1508141814 OSZCCNTUWRYNRQ-IRXDYDNUSA-N 437.566 1.083 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCO[C@@H](C)C1 1513871937 RFWMEZMYXDFMIR-INIZCTEOSA-N 425.537 1.876 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1525365511 IBVVLESDPBNJIV-UHFFFAOYSA-N 441.263 1.379 30 10 IDEE C#C[C@H](NC(=O)c1ccc(I)cc1-n1cnnn1)C1CCOCC1 1529521423 FMPRCLADOACWEV-AWEZNQCLSA-N 437.241 1.425 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)C1=O 1532373037 WISIGGKNSJGQJS-OAHLLOKOSA-N 432.546 1.849 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1539015656 VPPBZQSRRGYQDL-UZUQRXQVSA-N 446.596 1.917 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539153902 KEXOAKJDFUEFMQ-OAQYLSRUSA-N 435.525 1.293 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1539272010 PESXJMQGUOAAOG-UHFFFAOYSA-N 434.525 1.293 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)cc1[N+](=O)[O-] 1540296995 DPAUZKPTJDRPCL-HXUWFJFHSA-N 448.501 1.910 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(c2cnn(C)c2)CC1 1540902373 HWNSSCDDOCQJQO-GOSISDBHSA-N 448.593 1.890 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1548281514 ZZCQUTANUGQLSE-JOCHJYFZSA-N 442.589 1.843 30 10 IDEE COc1ccc(OCc2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1554968232 SBUYTLIJMPISQR-MRCUWXFGSA-N 438.488 1.991 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1555197389 GEEWBUMHIMJFBM-PKOBYXMFSA-N 440.504 1.107 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1555629354 QSQDBJHVOUQHOD-OAHLLOKOSA-N 430.513 1.285 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1562072781 RALMUHXTVRLZGH-MRXNPFEDSA-N 427.523 1.555 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(c2ncc(I)cn2)CC1)[C@H]1CCCO1 1564605920 XSAOYXIVWCKYMW-ZIAGYGMSSA-N 441.273 1.094 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)CC1 1565166870 ALPRIHGLEAFCOW-UHFFFAOYSA-N 426.521 1.306 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 1585183700 UBSPCWHCFFZZRM-IAGOWNOFSA-N 439.476 1.506 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587662139 LHOLLAYBMVTZPL-BZSNNMDCSA-N 448.593 1.063 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1588006342 JCFGTTMSSOVLTH-OAQYLSRUSA-N 436.560 1.761 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)CC1 1588199467 PXQYXZBJCPBSFN-UHFFFAOYSA-N 446.476 1.849 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCS(C)(=O)=O 1588473690 RKSUCBVRMBXAIK-UHFFFAOYSA-N 447.536 1.728 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1589495415 QTOKSNCRVPDWQJ-SXLOBPIMSA-N 434.585 1.231 30 10 IDEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)C1 1594752173 ALWPZDZSRMGATI-UHFFFAOYSA-N 437.592 1.887 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1598055349 VBMVUIPCNSGKOR-KXBFYZLASA-N 439.586 1.181 30 10 IDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1607568142 SAMFIXGPUWJELR-LJQANCHMSA-N 437.548 1.785 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1608225798 CNNRGORLLZQMML-QGZVFWFLSA-N 430.534 1.359 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCCC1 1609508627 CRWYSQONALRPNO-FQEVSTJZSA-N 437.548 1.962 30 10 IDEE Cc1cc(C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1I 1616337416 YGNIRUDWCMQAED-BLLLJJGKSA-N 444.294 1.918 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1617047075 IPSRDBRPHSLESI-RBUKOAKNSA-N 437.585 1.486 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CC1 1618827064 MKRIPGROWIGWTP-UHFFFAOYSA-N 426.868 1.968 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOc3ccccc3[C@H]2CO)CC1 1620611901 LLZAJBNAPCSQEV-FCHUYYIVSA-N 438.503 1.963 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1624811200 KBADFMNOQZYWQX-OALUTQOASA-N 443.548 1.944 30 10 IDEE C[C@]1(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCS(=O)(=O)N1 1628706842 VPTQSCTYXGTTAH-HXUWFJFHSA-N 428.518 1.069 30 10 IDEE C#CCN1CCC(NC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CC1 1629730722 HCYZKZUPNAWKPQ-FQEVSTJZSA-N 428.533 1.257 30 10 IDEE Cc1ccc(Br)cc1NC(=O)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1632039589 BFAKVUSKKLELNR-UHFFFAOYSA-N 434.250 1.037 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 1634576678 DELGJAGEQFRMHV-GOSISDBHSA-N 433.511 1.044 30 10 IDEE C#CCn1cc(CNC(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)cn1 1634634894 ANEZWWFIKKDQMT-QFIPXVFZSA-N 448.520 1.480 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cc1ccc(F)cc1 1638422744 HGBDSUALJFIPKJ-HKUYNNGSSA-N 447.532 1.999 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1638986990 PUSZLDNMHKCWDX-ZZXKWVIFSA-N 437.415 1.385 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCC3(C#N)CCOCC3)CS(=O)(=O)[C@H]2C1 1640487281 ORZPLIPCPYQDHW-XHSDSOJGSA-N 441.550 1.093 30 10 IDEE CCOC(=O)c1cc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)on1 1643858489 DWOAXNSBNKTWGH-OAHLLOKOSA-N 448.501 1.621 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)s1 1646195299 CSVLMZOBUOMGER-INIZCTEOSA-N 425.576 1.805 30 10 IDEE CO[C@@]1(CO)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1647428136 APSUUZLSCFUBIE-SBUREZEXSA-N 430.549 1.829 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1648275861 PHIZXEUMBGGQHK-MSOLQXFVSA-N 443.610 1.957 30 10 IDEE N#Cc1cn(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)nc1I 1652916716 VFURMFHSTPKNOE-UHFFFAOYSA-N 441.141 1.635 30 10 IDEE CC(C)(C)OC(=O)[C@](C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1682449812 AMTGUWAKIGKVEQ-WTOYTKOKSA-N 447.557 1.866 30 10 IDEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1683227484 BGPJHWOOSKCFJZ-OAHLLOKOSA-N 443.533 1.067 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1689914055 ZIZZIQYTKHBESN-LBPRGKRZSA-N 435.472 1.650 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1689994017 PMJDVELZZAJUOD-KRWDZBQOSA-N 426.502 1.235 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1690019302 FLLSHFGTRVMMQI-HXUWFJFHSA-N 441.557 1.295 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1690032878 LETRLYPESMALPA-SJORKVTESA-N 427.530 1.527 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1690051063 LFWVOTVSLUTZEG-GOSISDBHSA-N 436.541 1.414 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1690152381 IZTWBNTXHQIGGT-UHFFFAOYSA-N 436.516 1.465 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 1690485045 KFFCYWQVGSNOMQ-GOSISDBHSA-N 439.626 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)C)CC1 1690662179 TWMTXXVMJFJBJG-UHFFFAOYSA-N 436.358 1.868 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCN(C)C1 1692346608 JJLMVAAFPGUAAY-JOCHJYFZSA-N 443.552 1.839 30 10 IDEE Cc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693511463 MWRLXOTXMOINOC-FMQUCBEESA-N 443.458 1.718 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1696913563 GSAWAFMPGZSQIG-NYHFZMIOSA-N 439.520 1.025 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705565280 GGHRKCAGYWUBQI-LJQANCHMSA-N 427.530 1.789 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1705581827 LYKWWBZPZYBYKV-GOSISDBHSA-N 438.536 1.757 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1705616760 GSLGZVYZKVMJSY-UHFFFAOYSA-N 432.525 1.154 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2ncnn2C(C)(C)C)n1 1705631377 BZAZZQBZKMWCNX-UHFFFAOYSA-N 425.541 1.718 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCO[C@H](C)C2)CC1 1705639155 HPXWNIQIMAUTEI-NHCUHLMSSA-N 430.597 1.776 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705651539 ASZBQHHSWFGGHN-KKSFZXQISA-N 435.594 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1 1705936480 RKFDWFLVQCHRBD-SFHVURJKSA-N 437.610 1.838 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1712611093 RFQWYZALDVGDOU-SFHVURJKSA-N 425.493 1.084 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1722383120 GXFVBFPCOIWLLF-LJQANCHMSA-N 440.525 1.688 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)n1 1722428575 YCSQDFWZXICYIT-GOSISDBHSA-N 441.580 1.973 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1722428903 LMRWVTXJYKSYLJ-DMEQXSTQSA-N 428.493 1.132 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722435360 HDZXHZCQLSRCDE-HXUWFJFHSA-N 436.560 1.967 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)CC1 1722440643 CQKOGUWRHKBHEC-KRWDZBQOSA-N 430.553 1.630 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722506262 CEADVCKRWHZOTL-SUMDDJOVSA-N 446.577 1.566 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1730789762 ZMOVAGORDHSSTJ-IBGZPJMESA-N 437.548 1.500 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1740551222 KRUJZQDFHXTHNN-HZPDHXFCSA-N 439.582 1.895 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740572120 ZWCSJVSLPJDZDV-YSIASYRMSA-N 441.580 1.022 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@H]1C 1740680813 OKJIIGRWMZYKDE-VGOFRKELSA-N 446.573 1.986 30 10 IDEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740827385 UPGHHVFZVJBUIP-UHFFFAOYSA-N 446.573 1.974 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnn(C)c1 1740988203 WUHSKMCJIQFWLD-UHFFFAOYSA-N 445.505 1.824 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CCN1CCOC 1745336068 BMHMVRLJHBALJA-FQEVSTJZSA-N 449.563 1.931 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCOCC1 1748684234 FKCZJQTYOOJQTG-IAGOWNOFSA-N 430.578 1.696 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748686631 SROZIGIJVLQKPU-QGZVFWFLSA-N 432.546 1.563 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1748809963 XYQDCDYKWMWILR-IBGZPJMESA-N 443.573 1.613 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C(F)(F)C23CCC3)CC1 1748972217 CZKINNKLCNZEJB-GJZGRUSLSA-N 442.536 1.079 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NCc2ccccc2)CC1 1748987242 QFZZZRSAUWDYHG-UHFFFAOYSA-N 432.532 1.140 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(CC)noc2C)CC1 1749001043 FESJKNCWNUGNJX-PXNSSMCTSA-N 428.537 1.664 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749112163 CRURMHUZRSTVES-OAHLLOKOSA-N 441.374 1.466 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749663918 BIZOMRCNHIXNOF-KRWDZBQOSA-N 428.537 1.608 30 10 IDEE CS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750204644 NHKGNYOLQOTIQV-UHFFFAOYSA-N 429.550 1.574 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCSCC2)CCO1 1750386613 NGCBPOFEOHJJHV-QGZVFWFLSA-N 429.506 1.631 30 10 IDEE Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751934269 ZTKYYMOWFIEVOR-PFONDFGASA-N 445.421 1.135 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760190543 XMUPOANMYUXAKW-HNNXBMFYSA-N 443.451 1.893 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC=C 1760198514 DJFYFDVIQRUJPX-UHFFFAOYSA-N 426.498 1.390 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1760248635 PDFGBIYZQKMUAG-DLBZAZTESA-N 448.568 1.865 30 10 IDEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760411243 HFAIGFLTOITPCX-UHFFFAOYSA-N 428.541 1.224 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760519106 RRRNZLDJSXPADU-SFHVURJKSA-N 446.577 1.328 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760521268 OEDOENVSZZRPGP-UHFFFAOYSA-N 437.548 1.932 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C1 1760639998 GIPKDEPMWCWQPV-NRFANRHFSA-N 445.527 1.977 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1761358593 AKIVRTSOTVZADK-HNNXBMFYSA-N 427.534 1.912 30 10 IDEE Cc1nnc(N(C)[C@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762508402 ZOENIJCUEAYKHB-XQDODVJUSA-N 435.532 1.824 30 10 IDEE CCCCNC(=O)C1CCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1764186214 WUYVJTPGVCMCSY-XUTLUUPISA-N 443.552 1.500 30 10 IDEE CCOC1CC(O)(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1767700794 UNOMJHGOWNGUAI-LJXQCRFFSA-N 437.516 1.691 30 10 IDEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C1CCCCC1 1768925864 UDSDAMHKTSUFJA-UHFFFAOYSA-N 437.548 1.929 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@@H]2CO)C1 1771529242 JXJMEGOLJMLHLV-DENIHFKCSA-N 427.528 1.943 30 10 IDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@H]1CCn2cnnc2C1 1849694602 ZZMNNQQKXVOKJR-VQTJNVASSA-N 426.517 1.892 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCC(C(=O)N(C)C)(N4CCCCC4)CC3)cnc2c1C#N 1852137801 GPBHJMSIQWJBBQ-UHFFFAOYSA-N 437.548 1.767 30 10 IDEE COC(=O)N1CCC[C@@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852147339 LEFSUIGFZKGMHP-UYAOXDASSA-N 431.489 1.659 30 10 IDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)CC1=O 1853871830 BHUSLESLCKWPHP-AWEZNQCLSA-N 425.457 1.795 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2OCCc3ccccc32)C(=O)C12CCCCC2 1854427161 KHOHPVPPPVAKCZ-GOSISDBHSA-N 431.514 1.527 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CCN1CCC#N 1855912452 RDYAHTMHBDFJLS-KRWDZBQOSA-N 436.509 1.342 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 1866806063 QZUYYCNFCDCJPX-CQSZACIVSA-N 442.497 1.824 30 10 IDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccn1C 1874336834 DTNKVICVYFGINW-XHADFYDMSA-N 431.566 1.841 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)CCCOc3ccccc3)CC2)CC1 1890593966 OMXQWWRPGZBJDS-UHFFFAOYSA-N 449.617 1.517 30 10 IDEE CN[C@](C#N)(Cn1cnc2c(I)ncnc21)C1(Br)CC1 2206649508 ZLDJHKSCPWXYRF-GFCCVEGCSA-N 447.078 1.840 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)COC1 2247836454 CHIMSJCDPMXLQF-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCCN)Cc3ccccc3)c2)OC1(C)C 2247881872 GDQKQZKARTXGRN-UHFFFAOYSA-N 431.367 1.921 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255539056 UHAQXMGWQLFTIW-HUUCEWRRSA-N 436.314 1.679 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2255831710 ABUAWBXCHPSHQF-DZGCQCFKSA-N 434.346 1.845 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255838487 HBEQJNUCHUSLKM-KRWDZBQOSA-N 442.394 1.646 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2255875719 CMYFIUZPRGHYNL-INIZCTEOSA-N 425.342 1.461 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2259345332 GBVQTOVQBOOOEL-DZGCQCFKSA-N 434.346 1.752 30 10 IDEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267091904 SRAZJRIQLMCHBG-NWDGAFQWSA-N 444.263 1.628 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2267153191 BCAZTJWVZDGMCU-GOSISDBHSA-N 444.263 1.311 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2267598409 ZOAZVQXUJIFURH-UONOGXRCSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2267882673 WAFNTJOBYSVUJS-ILXRZTDVSA-N 444.341 1.904 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268638985 XITBKPALMIVKKE-CRAIPNDOSA-N 448.369 1.919 30 10 IDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315614748 XHGVRIXELRLHHS-UHFFFAOYSA-N 426.326 1.450 30 10 IDEE COc1nc(N(Cc2ccccc2)CC2(O)CNC2)ccc1B1OC(C)(C)C(C)(C)O1 2317501903 RFTKSKHTFKUJGV-UHFFFAOYSA-N 425.338 1.730 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCCC[C@H]3C(=O)OCC)cc2C1=O 27566900 FNEYVAAGGJBJMW-KRWDZBQOSA-N 428.441 1.570 30 10 IDEE COC(=O)c1cc([P+](C)(N2CCOCC2)N2CCOCC2)c(N=CN(C)C)s1 263621658 QBOWWLCHOPCZAS-UHFFFAOYSA-N 429.503 1.523 30 10 IDEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 425985089 NONRMFHCHZHRIF-UHFFFAOYSA-N 434.566 1.378 30 10 IDEE COc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1S(=O)(=O)NC1CC1 461747149 HGXLVDPXFAWMEH-UHFFFAOYSA-N 438.469 1.841 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 478768315 YQHFVMAJIXCPLD-CQSZACIVSA-N 443.475 1.968 30 10 IDEE Cc1cc(C)n2nc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2n1 508078179 LCKZOKVDTSLZGS-UHFFFAOYSA-N 440.489 1.151 30 10 IDEE C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508931319 HGRVFLWJSHQTPS-UHFFFAOYSA-N 448.930 1.904 30 10 IDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 513784103 LEBRWCAMGIJWNL-ICSRJNTNSA-N 432.590 1.644 30 10 IDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3Oc3ncccc3C#N)CC2)n1 523463163 ALOZBZKYKALDCT-UHFFFAOYSA-N 447.455 1.720 30 10 IDEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 562905907 PKCZYSNXXGQPTL-UHFFFAOYSA-N 445.549 1.894 30 10 IDEE CCn1nc(C)c(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 609001927 SSSWRNNWDJULJV-UHFFFAOYSA-N 430.534 1.608 30 10 IDEE C[C@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 734607091 JXKCGARGTDXVDE-AWEZNQCLSA-N 444.469 1.158 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)/C=C/c1ccc(Br)cc1 735082186 OMZNWHAKKUEOBE-RSIZYICOSA-N 426.292 1.866 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)/C=C/c2cnccn2)CC1 740964587 CPFJIJKHIRLZAP-ONEGZZNKSA-N 434.412 1.501 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCCO2)cn1 756081122 PWYFUGYEFRYPMR-IIBYNOLFSA-N 449.577 1.659 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C2(C#N)CC(C)C2)CC1 758176558 RSRCMTNUJQRDRE-UHFFFAOYSA-N 439.559 1.171 30 10 IDEE COCCOc1ccc(-n2nc(C)c(C(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)cc1 760770616 AHUXRUZKQGJVBO-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n[nH]1 768743922 CBGJWHRUAYNPTL-DHQQEPISSA-N 446.533 1.217 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C3(c4ccc(C#N)cc4)CC3)ncnc1-2 780609032 CAONHZUUWYRSBJ-UHFFFAOYSA-N 440.305 1.631 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 784123169 BDOZUZCKIPPGPH-HXUWFJFHSA-N 442.585 1.825 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 790835625 KYPZKQCMDTZYDD-UHFFFAOYSA-N 440.497 1.196 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)c1ccnc(C#N)c1 795974980 CKIYGOTZHOSMGA-UHFFFAOYSA-N 428.470 1.340 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC(=O)N2C(C)(C)C)cn1 796608388 JSYYPYOBGFJZMW-PKOBYXMFSA-N 443.529 1.626 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796678212 OAVZRTAUGVPFLV-HKUYNNGSSA-N 443.529 1.626 30 10 IDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccsc2)n1 807938750 HNSPNOAAPWMCIW-CYBMUJFWSA-N 428.503 1.827 30 10 IDEE C#CC[C@@]1(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCCN1C(=O)OC(C)(C)C 808595413 PVHNAQDELIWMFZ-NYHFZMIOSA-N 435.521 1.448 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 914678879 CIVJGYVBBGWWKN-OAHLLOKOSA-N 427.482 1.915 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 918754657 AIGJBLPEQDETDX-IBGZPJMESA-N 446.550 1.774 30 10 IDEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084169198 DKQASPCHQKMDCM-UHFFFAOYSA-N 426.462 1.335 30 10 IDEE CN1CC[C@](Cc2ccccc2)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 1138108385 NDCUVKYYUBQNPR-IXFSTUDKSA-N 426.517 1.953 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N(CCC#N)Cc2ccco2)C1 1142582180 BBCAZZBEUZQZJR-INIZCTEOSA-N 425.507 1.946 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)c1 1147020000 KKJKNHAFWLNXOO-ZDUSSCGKSA-N 437.880 1.850 30 10 IDEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@H]2CCCN(O)C2=O)C[C@@H](C)O1 1159642157 UDWAFTUZLZQGCJ-VBQJREDUSA-N 445.545 1.832 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)cc1 1168716074 DJXQLMKYDMKWQZ-RBBKRZOGSA-N 436.487 1.550 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1211171179 BPDIOGMDUPMCCD-UHFFFAOYSA-N 434.539 1.762 30 10 IDEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)c2cncc(C#N)c2)CC1 1211929236 DNNDPAOHJDQVLZ-HNNXBMFYSA-N 448.570 1.861 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)nn1 1212242110 UFCAYGLSKVCCNA-UHFFFAOYSA-N 426.296 1.590 30 10 IDEE C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1227458564 DCFAVKCBFGXGQB-GJRWTSMGSA-N 426.539 1.354 30 10 IDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1231088999 PLTXDOJQDMOSSF-UHFFFAOYSA-N 427.523 1.312 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1286398858 REHBOMXBQCVTKD-LJQANCHMSA-N 434.548 1.024 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1286420582 RPPDIMJPDVQOMG-SFHVURJKSA-N 439.491 1.879 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1286430962 LMHGCCYGDGIAPC-INIZCTEOSA-N 429.546 1.977 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1286496513 SRCOZXPNIMGXFP-RHSMWYFYSA-N 429.637 1.588 30 10 IDEE C=CCCOCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OC(C)C)CCOC1 1286715985 AKUKEMOSTGRAQI-NRFANRHFSA-N 431.541 1.832 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1286781574 UQKHIGCQFTWUKD-OKZBNKHCSA-N 429.569 1.029 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC2)CC1 1288014894 RKJKZLRDZOOSRC-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cn1C 1288146038 UWOZOMCOAZRRAQ-IBGZPJMESA-N 427.530 1.285 30 10 IDEE CN(C)CCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1298097399 UIQINIWAYYWDFI-UHFFFAOYSA-N 436.520 1.912 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1300363031 BSVBVYKQDHBSSV-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(Cn2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1300497946 FILHVHKVKHWKBT-FQEVSTJZSA-N 438.557 1.760 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300504464 NQJLGIDVJBQZRO-ZWKOTPCHSA-N 432.546 1.909 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCCCCC2)CC1 1300707075 VJZFZSDGWMBSHS-UHFFFAOYSA-N 425.581 1.980 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300766650 HYUNDRGCWNBBPV-INIZCTEOSA-N 446.602 1.752 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300777695 AILLXPMIANQGFH-LJQANCHMSA-N 448.637 1.877 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301257658 CHNWLQBRPDVKBM-ZACQAIPSSA-N 437.566 1.020 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301505778 AVUJSTWVSBANBL-SFHVURJKSA-N 439.564 1.256 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1301601604 RCTOQRWZMHELGT-UHFFFAOYSA-N 449.602 1.970 30 10 IDEE CC(C)C(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302442856 DNAJQZUXJOTUQM-HXUWFJFHSA-N 436.564 1.603 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1CC1 1303858750 FIDYUNXUPLETMZ-HNNXBMFYSA-N 444.565 1.282 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CCC3)C2)n1Cc1ccc(C#N)o1 1303872495 OGKOMYJORXLSHZ-CQSZACIVSA-N 434.522 1.408 30 10 IDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1303901551 VVVMXURRSFVYLG-HZPDHXFCSA-N 425.580 1.417 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)c1 1303940428 AHWMLICYZCXPQC-WDSOQIARSA-N 436.530 1.724 30 10 IDEE C#CCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1354826165 QUKGXGRRXCQNBE-UHFFFAOYSA-N 427.482 1.462 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1358957003 OEHYQDZOJILUOY-JKSUJKDBSA-N 448.593 1.771 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358967985 WXXDBDAAGFZICR-RTBURBONSA-N 435.594 1.631 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1358978376 KVBRUAMUBQDPJD-UDTLNKQYSA-N 427.549 1.125 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359059363 KSOICGLMWBUSIH-UHFFFAOYSA-N 446.621 1.550 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359060298 QNMDCUVOTDYLEU-OAQYLSRUSA-N 433.578 1.541 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1359105757 UAIUZMLBYTVENR-DBBLALLESA-N 447.580 1.968 30 10 IDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359132117 NVXYYFNPPHLXFO-UHFFFAOYSA-N 436.538 1.388 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359203188 KCEGMYMGMYLVNN-GOSISDBHSA-N 435.594 1.985 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359326741 IVZRKKJRSPLFDP-SFHVURJKSA-N 425.599 1.551 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1360162541 OBMGDORFSIDDIT-HUUCEWRRSA-N 445.490 1.808 30 10 IDEE C=CCN(C(=O)CN1CCC[C@@H](C(=O)OC)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1435899060 CGHBAOHBSNOCTR-RTBURBONSA-N 430.501 1.587 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(C)o2)CC1 1436030523 XIKXUNCLQCVNGQ-UHFFFAOYSA-N 433.464 1.986 30 10 IDEE O=C1[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)CCN1O 1450156815 MDFMLEHZFNRZCF-CYBMUJFWSA-N 431.308 1.642 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)OCC)CC1 1459461499 CYPXKDODDJIOGL-RXVVDRJESA-N 427.545 1.517 30 10 IDEE C=CCC[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OCC 1468126734 YDENEPYVVCGIEM-IBGZPJMESA-N 437.562 1.461 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCCn2cc(C(N)=O)nn2)C1 1468943225 LCVROFOOTPRSJL-UHFFFAOYSA-N 446.309 1.044 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(S(=O)(=O)C4CC4)CC3)CC2)c1 1470670955 BCADSTWXFFAMFB-UHFFFAOYSA-N 431.562 1.342 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 1471451519 VHLYVXFVGDWSNQ-UHFFFAOYSA-N 433.452 1.475 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)OC 1475240046 KKFPSSBCPDDFSK-JTQLQIEISA-N 426.260 1.619 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1503437684 DICSRFUZIGGIAN-HKBQPEDESA-N 442.545 1.023 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1507520703 GDPXHPQZWDWYDT-FUHWJXTLSA-N 429.546 1.998 30 10 IDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N1CCSCC1 1507617878 CXRYDCNJCYNVKL-UHFFFAOYSA-N 449.602 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC(C)C 1507645504 CWYFDMSPFLXLSI-UHFFFAOYSA-N 443.529 1.117 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCC1 1507675491 AYNJRHWXCSLSNU-ROUUACIJSA-N 434.562 1.432 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC)CC1 1507737614 CRTQTCYFLDBMMZ-UHFFFAOYSA-N 428.493 1.008 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507756662 PSDMUGDYZHHWNC-UHFFFAOYSA-N 439.545 1.151 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1507821289 YEBSNJZPKIOZEQ-HUUCEWRRSA-N 449.524 1.438 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1508094546 GYQRZCWBWMFKTM-GOSISDBHSA-N 440.523 1.911 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(CC)s1 1508139066 CZFBOOWDPLXJLA-AWEZNQCLSA-N 438.579 1.485 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1508399692 GKGVDXCXBZCUGR-ROUUACIJSA-N 440.460 1.369 30 10 IDEE CC(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509003946 XJPCAVBUMZSYAF-VZCXRCSSSA-N 427.553 1.993 30 10 IDEE CC1(C)CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1510327161 UZHDHWHZHMXMCK-GOSISDBHSA-N 444.561 1.713 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513068506 URBFFSGDWONPQT-DNCYLBRYSA-N 443.508 1.349 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1515009476 DASWGYFCXVVZNC-RBUKOAKNSA-N 435.532 1.838 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539206983 YNAZLGYLFMJBMZ-RDJZCZTQSA-N 448.545 1.624 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1539257310 IAQDBLMCCHBNKZ-HSZRJFAPSA-N 434.500 1.052 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1539265896 KOMORBMYVFMGPF-QGZVFWFLSA-N 429.521 1.696 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccccc2)CC1 1539430095 HBBBVDQIBYINRE-ZWKOTPCHSA-N 446.577 1.111 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nnc(C)s2)CC1 1539434293 HDULYSHYRPTRKQ-UHFFFAOYSA-N 439.545 1.926 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1539462711 XTOOFJKYHTZAHI-UHFFFAOYSA-N 446.555 1.976 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539635659 HGJCMMSQZDBKRE-UZLBHIALSA-N 431.541 1.673 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1539731260 ZGXRZZJJFPFPKS-MRXNPFEDSA-N 427.571 1.488 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CCC2)CC1 1540905119 SRMJRRKTAOQSGP-UHFFFAOYSA-N 430.578 1.539 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1541677058 OHKGBCAMEOBDHD-MRXNPFEDSA-N 427.509 1.088 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C)cc3)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546528818 DEZJJOKIRGTRCA-DQRAZIAOSA-N 449.515 1.529 30 10 IDEE CCCN(CCC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1547137517 GYOXFXIHMGFFFG-OAQYLSRUSA-N 447.561 1.905 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1552408774 GPPOOJDCVRBDKI-QZTJIDSGSA-N 444.561 1.760 30 10 IDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554151937 PYBRSTGCMXCXJT-ZBJSNUHESA-N 449.515 1.807 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1555492569 UMOSCJRKIOADPG-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1555528883 ICBVEMCCNMTLGT-ROUUACIJSA-N 428.537 1.921 30 10 IDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3cc(OC)cc(OC)c3)c2)C1 1558691531 LZTBQJXMZZMBRU-UHFFFAOYSA-N 446.481 1.333 30 10 IDEE C#C[C@H](NC(=O)N1CCN(c2ncc(I)cn2)CC1)[C@@H]1CCCO1 1564605917 XSAOYXIVWCKYMW-KBPBESRZSA-N 441.273 1.094 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)n[nH]2)c1C 1565626997 VKAYHAZGPOZCGQ-UHFFFAOYSA-N 434.566 1.315 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCOC 1587567216 DEBNKXAOJUZDKQ-QVKFZJNVSA-N 448.593 1.792 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(CCOC)c2)CC1 1588762543 JYOSIBZXOMMDAE-UHFFFAOYSA-N 435.532 1.600 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOC(C)(C)C2)CC1 1588779756 BPGNKAWXUQAPMW-UHFFFAOYSA-N 443.983 1.860 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589135429 ZNFGIUAKOCRIPD-QGZVFWFLSA-N 441.623 1.746 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1593712162 UDKIUFRXRREZQR-QGZVFWFLSA-N 427.465 1.660 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1593763512 MNMNKNJPQHECGQ-RTBURBONSA-N 432.569 1.150 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1594812727 JGJFNSNPYGYIMN-FUHWJXTLSA-N 431.541 1.949 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(OCCO)CCC(C(F)F)CC2)cc1 1598239126 ZSECUKPJLDDTJG-UHFFFAOYSA-N 445.488 1.156 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO 1603336775 OXZQZDWGXJNVCU-IPMKNSEASA-N 448.589 1.342 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1C[C@H]1C 1611706918 HUKCKXHSKQXBNF-VYDXJSESSA-N 444.565 1.138 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN(C)S(=O)(=O)CC 1614025820 GGNZKSBGYDMWQH-UHFFFAOYSA-N 445.593 1.710 30 10 IDEE 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COC(=O)[C@]1(N2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)CCOC1 1645848091 QYVFHAUPXZYSGQ-QHCPKHFHSA-N 444.507 1.390 30 10 IDEE N#C[C@]12CN(C(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1645992027 XMSCXJNFVGHSSO-HTAPYJJXSA-N 439.493 1.605 30 10 IDEE CO[C@@]1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCSC1 1652282522 KRGYMQYZKXUNFA-LJQANCHMSA-N 425.576 1.924 30 10 IDEE N#Cc1cnn2c(O)cc(CN[C@H](CO)c3ccccc3I)nc12 1656439317 CFXFPDSUAWSBGI-CQSZACIVSA-N 435.225 1.734 30 10 IDEE C[C@H]1C[C@@H](CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CN1Cc1ccccc1 1679146343 VQYKHKDRPFELDX-UFGBVDADSA-N 430.574 1.867 30 10 IDEE CN1C(=O)CC[C@H](NC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1682183644 IXTDDYKHXFYJBZ-FXQIFTODSA-N 437.287 1.946 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1686085042 ZCDDRDNMSNRHIC-DQXYTYHJSA-N 430.530 1.709 30 10 IDEE CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1686424140 OYHCDKRZYXWYDV-XUWXXGDYSA-N 425.532 1.121 30 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C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCOCC1 1690719976 WTIZRVOBAWEWBN-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690993524 MBKIAQHXLHGXJF-NVXWUHKLSA-N 441.511 1.593 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1692661141 CLYPWCLMNPSTOK-IAGOWNOFSA-N 436.582 1.711 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1692741070 ICANPXIBSQZOOG-JZKQVHKSSA-N 435.504 1.832 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cccc(F)c1 1692801923 NRXSIARQYRESOI-RHSMWYFYSA-N 436.513 1.389 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)Oc1cccc(F)c1 1694396993 HFBRJTUIYFHFHF-NXHRZFHOSA-N 428.468 1.955 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCC1 1698060667 IHUWVQLWZGDGCK-UHFFFAOYSA-N 429.525 1.857 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1698171175 OWQRBIPMGBZMNP-WMLDXEAASA-N 432.456 1.509 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1O 1698442508 ATSHKJHCRSCLBG-AYOQOUSVSA-N 438.532 1.851 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC=C 1705474988 NSKJLFNFZLODPD-HNNXBMFYSA-N 449.964 1.920 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1705517608 ZIQUVRPPVYBQCS-IBGZPJMESA-N 429.546 1.935 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1C 1705551429 NKEYJMAGHSXJAH-IEBWSBKVSA-N 447.561 1.456 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCSC1 1705575402 JLEAURFCKQRYMM-QFIPXVFZSA-N 442.541 1.912 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)Br 1705576393 KLUQASYDUMXXEO-UHFFFAOYSA-N 447.247 1.981 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1705628327 DANHDUBPTBDEEK-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705688342 QGCCWCWSYRZPNQ-KGLIPLIRSA-N 448.387 1.599 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1705712633 AVLVGRRHQYTGAL-UHFFFAOYSA-N 431.360 1.987 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C1 1705904591 SUXDYLFRJUEHSA-HOTGVXAUSA-N 434.541 1.735 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705905017 GPQFNSAFVJMNGS-UHFFFAOYSA-N 445.527 1.728 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)C1 1706935244 ODFQRWLNFZHQOM-KGVIQGDOSA-N 429.569 1.596 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1ccc(C#N)o1 1712647285 UDCSOWJIBSJZKF-QOKNQOGYSA-N 428.493 1.572 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722361968 LEGCYXKBUFRXMK-SFHVURJKSA-N 427.530 1.604 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@@H]1C 1722374717 CKNGVCKUWNJSNH-HTAPYJJXSA-N 426.542 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1722390533 DCPSEWRSBSWEHA-QHCPKHFHSA-N 439.516 1.854 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722437719 WFFVEOZTVBHVBK-HXUWFJFHSA-N 430.597 1.510 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCn1cc(CO)nn1 1722466349 RAPQUPBOJQXAOJ-OAQYLSRUSA-N 428.541 1.363 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722495183 WBZMFLAGQOAIJO-BZSNNMDCSA-N 446.552 1.772 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1722559660 DMSFLYDVVITIFO-SQGPQFPESA-N 439.582 1.773 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COC)CC1 1722583980 XBGXWTVWPAWNTD-QGZVFWFLSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722689878 BGJUXLVHBAXXSB-CRAIPNDOSA-N 444.511 1.964 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722697991 AWCGYTKMWHOJDW-UHFFFAOYSA-N 438.532 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H]1CC 1722698478 ZFZNVKYZTCEDPF-HNNXBMFYSA-N 431.566 1.919 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 1722707127 GYAVCFAQTRPIJG-IBGZPJMESA-N 440.548 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCSC1 1722728773 YUXOSILMWFWNPR-CYBMUJFWSA-N 439.563 1.548 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCN(C(C)C)CC2)n1 1726057260 GBZHYJHKNOJBDF-OAQYLSRUSA-N 444.559 1.817 30 10 IDEE CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726896118 YHZCNFTUUXMNIU-MXLIYFDZSA-N 431.541 1.086 30 10 IDEE O=C1CN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1731223480 REBCGDUAFNGTQH-ZPHPHTNESA-N 441.879 1.061 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(C)cs1 1740685806 MMSSNLPRXGQVKS-HOCLYGCPSA-N 437.591 1.835 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccccc2Cl)CC1 1740694340 HCMDTEVYQRWTIQ-QGZVFWFLSA-N 428.924 1.717 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)CN(C)C)CC1 1740698128 PDKLIIAIPAWSCT-UHFFFAOYSA-N 434.592 1.860 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1740717517 UVWCCYHUEIGBDG-SJORKVTESA-N 439.607 1.214 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740867824 XCKJBAQNJSNIPF-HNNXBMFYSA-N 426.587 1.633 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1740932410 NBESIVVTIYAMDF-KURKYZTESA-N 439.582 1.341 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740958421 OYCBUMQTYUOIGE-MOPGFXCFSA-N 431.585 1.038 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740958764 UMVDLQJZFJMIAY-CVEARBPZSA-N 425.555 1.225 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1740964969 KDEKEQCGFCDGAA-UHFFFAOYSA-N 435.575 1.416 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1740965036 LABBUIMYTQNCHF-DEYYWGMASA-N 447.458 1.388 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1741002104 GAZYARHSLUOTCO-CVEARBPZSA-N 445.611 1.145 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1743887623 RENBHHATIYOFIS-SNRMKQJTSA-N 435.532 1.836 30 10 IDEE CCS(=O)(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1747438482 YRKFAPILGNNXPL-SFHVURJKSA-N 432.550 1.121 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748812105 PXTRHVWVVOWGSW-SFHVURJKSA-N 443.577 1.238 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCOCC2)CC1 1749009359 PLJNOSLQVWFZIU-UHFFFAOYSA-N 438.532 1.156 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1749159124 PGXLLGJANHLERE-BRWVUGGUSA-N 427.571 1.438 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749457598 SNUZGKDCXPVEJB-GBESFXJTSA-N 432.569 1.369 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749683451 UBJLGJUKDAASEX-HXUWFJFHSA-N 435.532 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749723557 AFMNRTZBRNHOMP-GOSISDBHSA-N 449.577 1.606 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749736432 ITXNKDFNXPJQAL-PKOBYXMFSA-N 430.578 1.538 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1750068362 BEUGDLLUCCSAEG-QAPCUYQASA-N 439.520 1.340 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)C[C@H]1OC 1750187127 ZKBLJHVNDRFMHW-OYRHEFFESA-N 440.548 1.779 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750449555 RWGGQCZQHACPEM-NXDJFEHLSA-N 438.536 1.279 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1751544870 VFJXLDGYYFMCHM-IPMKNSEASA-N 440.504 1.416 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2cn[nH]c2)c1 1760127371 XLNAAAIXWWFOMP-UHFFFAOYSA-N 434.504 1.438 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1760184915 ZXAMJHGTRRUUPE-INIZCTEOSA-N 447.561 1.663 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1760189966 MSAVOSVYFKTSHW-FQEVSTJZSA-N 441.557 1.864 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1760224486 MCJYKMGYXSTAIC-VFNWGFHPSA-N 431.924 1.861 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(F)c2)CC1 1760251872 KDQCNDYSZKTOSJ-UHFFFAOYSA-N 426.496 1.465 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCC2)CC1 1760267290 ITYHJGDIVFUDBW-UHFFFAOYSA-N 428.924 1.874 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760280123 CUKCGQRQOIZRQR-GUDVDZBRSA-N 449.621 1.906 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cc2ccccc2)C1 1760526024 AMEZSGWCCVQXJM-OAQYLSRUSA-N 449.559 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1760548888 RMSGNWOILGSJLQ-UHFFFAOYSA-N 443.533 1.656 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCSC1 1761037185 WRFSCYYWJDAKJC-NRFANRHFSA-N 427.578 1.938 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3CCOC(C)(C)C)CC2)c1C#N 1762402465 BRIIVMZVVNDHFZ-KRWDZBQOSA-N 442.568 1.837 30 10 IDEE CCCN1CCC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)CC1 1764430512 XSPSYLDXHHAIER-SIKLNZKXSA-N 432.569 1.781 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766932404 MFTDONMKBYCHDO-GOSISDBHSA-N 444.971 1.748 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CCO1 1767714194 YWGSCHNEPUFYBP-MRXNPFEDSA-N 434.447 1.440 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@](C)=O)CCC1 1770202610 UKJVULBKRXLTHL-BWTXPRQQSA-N 425.530 1.745 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCOCC1 1770833338 RXWBDORXERSOGO-FMQUCBEESA-N 442.451 1.359 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H](Cc1cnc[nH]1)N1C(=O)c2ccccc2C1=O 1772791712 XNWUURPPNGXWCP-QGZVFWFLSA-N 430.376 1.371 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)c2cc3n(n2)CCC[C@@H]3N2CCOCC2)CC1 1850731477 VYGUPDKIGOAMDK-NRFANRHFSA-N 449.559 1.963 30 10 IDEE CC(C)[C@@H](C(=O)N=C1NN(c2ccc(Cl)cn2)C[C@@H]1C)N1CCS(=O)(=O)CC1 1851739081 IFPFIJGWECXWQR-BBRMVZONSA-N 427.958 1.376 30 10 IDEE C[C@H]1Oc2ccccc2N(CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)C1=O 1852040949 JBKRXMODWFTCLF-QGZVFWFLSA-N 435.484 1.433 30 10 IDEE C=CCN(Cc1cccc(S(=O)(=O)CC)c1)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1853414168 JYKLUVWAQIOOQY-QGZVFWFLSA-N 430.530 1.781 30 10 IDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854414172 NMNNZDHPOUEFCW-HNNXBMFYSA-N 437.493 1.820 30 10 IDEE Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)c1 1855717834 GFFVROROEUZNRI-INIZCTEOSA-N 427.482 1.694 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2c(c1)OCCO2 1862561383 OVHRFBHUDGYSGY-HXUWFJFHSA-N 437.452 1.754 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1Cc1ccc(O)cc1 1870524875 SCBIJVSFWOFQIO-UHFFFAOYSA-N 441.528 1.918 30 10 IDEE C=CCOc1ccccc1OCc1nnc(SCC(=O)N(C)C[C@H]2CCCO2)n1N 1874554847 WJBOOTBWPQGFBE-OAHLLOKOSA-N 433.534 1.865 30 10 IDEE CCNC(=O)N1CCC(C(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)CC1 1890530541 ZKWSZZPRNDBNHS-UHFFFAOYSA-N 447.624 1.076 30 10 IDEE CN(C)CC#C[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1891087086 LNWASJWQYRMLBO-HNNXBMFYSA-N 428.352 1.283 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216454272 OALOJOKDSBYTHA-NHYWBVRUSA-N 427.361 1.822 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243371370 CGGVMULYOUFADQ-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2243387306 RKJJLQPRVOBDEJ-IRXDYDNUSA-N 440.309 1.896 30 10 IDEE C=C(CS(=O)(=O)NCCN(CC(=O)O)Cc1ccccc1)B1OC(C)(C)C(C)(C)O1 2248581943 NAMGBOLFVIZPGQ-UHFFFAOYSA-N 438.355 1.680 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255630236 HKZQXYJSRYVQSR-KGLIPLIRSA-N 434.346 1.671 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1 2255634535 SJXHYXCUXOSUQX-UHFFFAOYSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2255658286 BACWEIIHODKYQB-LSDHHAIUSA-N 432.330 1.933 30 10 IDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256678353 CLSBXDYYULDLKV-CQSZACIVSA-N 434.346 1.774 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2267266650 QYOQIQSHRKSYOR-OAQYLSRUSA-N 449.361 1.491 30 10 IDEE CC[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267603942 BSQSCGXNWLUPCM-KBPBESRZSA-N 449.361 1.632 30 10 IDEE C=CCC1(N[C@@]2(C(=O)O)COC[C@@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2306170329 IXLJEIQBSFIKTD-QKKBWIMNSA-N 441.525 1.889 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2315533423 YBQZEAGLQNJJGJ-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE C=CCNC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 13046957 MCOFGOHVVHLMHK-CQSZACIVSA-N 431.308 1.448 30 10 IDEE COc1ccc(NC(=O)CN2C(=O)/C(=N\Nc3nc(O)cc(=O)[nH]3)c3ccccc32)cc1 15778130 MSTFZOLLHTVHHF-PLRJNAJWSA-N 434.412 1.286 30 10 IDEE COc1ccccc1CNC(=O)CSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N 20920642 UGOVVXVZYRHWFV-GZIVZEMBSA-N 443.537 1.632 30 10 IDEE Cc1cc(N2CCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2)n2ncnc2n1 30865449 DPLUQVZYAVPWBP-UHFFFAOYSA-N 444.503 1.245 30 10 IDEE COc1ccc([N+](=O)[O-])cc1NN=C1C(=O)N(C(N)=S)N=C1c1ccc([N+](=O)[O-])cc1 263627167 YILDYNVPHPZFQI-UHFFFAOYSA-N 443.401 1.770 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cn1 462714364 FEYYUVKROMDASZ-HXUWFJFHSA-N 445.483 1.731 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(c2nccn(C)c2=O)CC1 467176539 PIVUTOBRYJXZLM-MRXNPFEDSA-N 426.546 1.935 30 10 IDEE CCCCCC(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481217517 CWQXYPGFWFVGDC-INIZCTEOSA-N 434.562 1.913 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)cn1C 482801299 OFUVFRPELQZWIR-HXUWFJFHSA-N 445.545 1.537 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc(F)cc2)c1=O 505700573 PZUBPFSAMIDHKE-UHFFFAOYSA-N 437.500 1.206 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 533692619 MNSGAEYIBGLMIZ-MRXNPFEDSA-N 433.480 1.396 30 10 IDEE N#Cc1cccnc1N1CCN(CCCCN2CCN(c3ncccc3C#N)CC2)CC1 535008555 INUOYXBEJULFAE-UHFFFAOYSA-N 430.560 1.944 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 537492572 IWDONAXHFQJJIH-AWEZNQCLSA-N 443.481 1.286 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 557473444 YRIWAEPSOXOZEJ-UHFFFAOYSA-N 430.471 1.982 30 10 IDEE CCOc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1OCC(=O)N1CCCCC1 558014996 VTLICMBYWWVVRJ-UHFFFAOYSA-N 442.516 1.675 30 10 IDEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 558989986 GMMCJQIEBORZAM-FQEVSTJZSA-N 440.548 1.415 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCOC2)CC1 559226006 WSTCGESJUQCNKI-SFHVURJKSA-N 449.559 1.887 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1ccsc1 567557096 FWGQOLMFLLYNPJ-UHFFFAOYSA-N 439.547 1.457 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670206954 TZAXZJWCGLEMDE-DYESRHJHSA-N 440.596 1.705 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 670232730 HDXVWZAMBIPEIG-MRXNPFEDSA-N 431.566 1.919 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 727417705 PQDHTLVHCSINQR-UHFFFAOYSA-N 436.880 1.799 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@H]2CCCO2)C1=O 730144712 RFOFBJHYRQCTQQ-JICHNDPSSA-N 433.578 1.171 30 10 IDEE C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732666042 FFSDPAMVPVDOIT-DNVCBOLYSA-N 437.422 1.982 30 10 IDEE COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)cn1 732707385 ZUQKORUFCAVPRT-IBGZPJMESA-N 448.483 1.480 30 10 IDEE C=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)OCC 734025428 PRSMPNANIYSMDE-UHFFFAOYSA-N 441.502 1.767 30 10 IDEE Cc1cc(C#N)ccc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 747915297 IRCQERIQMHBKPR-UHFFFAOYSA-N 448.545 1.574 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc(C(=O)NCC(N)=O)cc3)ccc2c1=O 748539683 CVJLAXQWTRHEPX-UHFFFAOYSA-N 437.481 1.339 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CC3)c2=O)c[nH]1 753356380 CCFQCACFWKPFTC-UHFFFAOYSA-N 449.488 1.754 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CCCCC1 760404111 PENVFCWIHRSEDK-UHFFFAOYSA-N 429.520 1.598 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3ccc(OC)c(C#N)c3)C2)cc1 768404920 QKXIHJPHAMXGKV-UHFFFAOYSA-N 430.486 1.448 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CCc2nnnn2C)C1=O 771529675 HUSDEELCESDNMS-LBPRGKRZSA-N 441.439 1.539 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 790109146 MZQKGJDVOZNUJN-HXUWFJFHSA-N 430.530 1.345 30 10 IDEE C=CC[C@@]1(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 791715980 JXIXVOQHCWFPBS-QHCPKHFHSA-N 449.548 1.956 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 798975511 NHYMFEKSWFRTEI-ZIAGYGMSSA-N 429.481 1.055 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 800776067 XXQVCTMDZMZEKH-KRWDZBQOSA-N 448.549 1.409 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCC2(CC1)OCCO2 809892626 AXIBBSQERKLIKR-UHFFFAOYSA-N 447.561 1.937 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3nc(N(C)C)no3)CC2)cc1 809992639 QFJXRNLSRLLFOL-UHFFFAOYSA-N 436.494 1.451 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN(c3cc(C#N)ccn3)CC2)C1 816483705 BTLWZAUMSXNZOT-IBGZPJMESA-N 442.564 1.839 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)Nc1ncccn1 828105386 BCQGFPGIMLUTOO-ZFWWWQNUSA-N 445.501 1.644 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1OC 917524738 LWHYDEAYFFTKHB-FNORWQNLSA-N 429.517 1.276 30 10 IDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3ccc(N(C)C)cc3)n2N)n1 1084472243 UECYABRWBGAFEB-UHFFFAOYSA-N 431.551 2.000 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4C(N)=O)CC3)cc2C1=O 1131399143 JVOCHLVBYUGHMM-UHFFFAOYSA-N 436.443 1.669 30 10 IDEE C[C@H](CC(=O)N1CCC(n2cc(N(C)C)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1141471919 WBQSMFDNADSZNF-OAHLLOKOSA-N 444.561 1.630 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(Cl)cc2)c1=O 1166615610 YRWRITLSIFTTOB-UHFFFAOYSA-N 432.864 1.193 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)C2)c(=O)nc1O 1181001548 VBBIAOKNXQCCLJ-UHFFFAOYSA-N 447.142 1.837 30 10 IDEE C=CCCn1cc(CN2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)nn1 1207269984 HNZFPBFTXCABNH-KSZLIROESA-N 432.525 1.869 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(F)c2C)CC1 1207551386 CPIZAWCOWJKYEP-UHFFFAOYSA-N 433.303 1.514 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286380362 BUOLPVMIYPLBNX-NQIIRXRSSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286386709 GIAPHGQLHBLLSJ-QZTJIDSGSA-N 430.578 1.252 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1286413119 HWIMXGWLCBLEEY-LJQANCHMSA-N 427.530 1.483 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)F)cc2)CC1 1286472548 YXYNZCYQEPEFTN-UHFFFAOYSA-N 444.486 1.919 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286638773 MIDIVZMTQUMPIE-XLIONFOSSA-N 439.582 1.368 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286788607 ZPKFGRHAJJZTHZ-LJQANCHMSA-N 438.532 1.437 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1286842753 ZZGHAGBXDJVICF-QHCPKHFHSA-N 435.532 1.742 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286964587 CGDSJOXDEOJVHE-SJLPKXTDSA-N 427.557 1.217 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1286967770 GVNXVKZWOLZWQO-VGWMRTNUSA-N 428.534 1.345 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1288737941 WFBIDRCXVXUFOZ-VQIMIIECSA-N 445.545 1.943 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NC)CC1 1297695830 AYCLVXOQUVGCAR-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)C1 1300020422 IDKOJDKGPIYDPL-PXNSSMCTSA-N 437.475 1.408 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)CN1CCOCC1 1300432381 IAFJMLVUJWZLSZ-KRWDZBQOSA-N 444.967 1.899 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300502734 WHXGLZIDLZWJJJ-MJGOQNOKSA-N 449.621 1.942 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1300602613 SIMYOFWHVGJSBF-MRXNPFEDSA-N 432.550 1.006 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(C)c2)CC1 1300700663 UGQXJAKTUKOKLQ-SFHVURJKSA-N 431.537 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(OC)CCC2)CC1 1300711360 ZAMQJROBAKDNTO-UHFFFAOYSA-N 442.564 1.439 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1300715585 ALCPSZNXUGZXIQ-JOCHJYFZSA-N 436.560 1.453 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301206610 HDGLOIDBHRLSOS-QGZVFWFLSA-N 433.534 1.266 30 10 IDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301333766 ASGJGKSQWOOCJU-RYRKJORJSA-N 439.582 1.438 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCC(C)CC1 1302311505 LTPMYYCVNDPNEE-FYQPLNBISA-N 432.569 1.851 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1303628847 GFFHMFVGFVYMEJ-PBHICJAKSA-N 434.508 1.574 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 1309697304 YQZCBFRDPJZRQW-UHFFFAOYSA-N 427.320 1.507 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 1313281179 UMCKAVJMBQTVJZ-ZWKOTPCHSA-N 428.537 1.934 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1314965595 VQWMPYZWBOPZMO-APWZRJJASA-N 442.520 1.353 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1 1316352114 ZXIAXJHPGWRJIJ-CQSZACIVSA-N 439.925 1.388 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc(-c4cccnc4)n3CCOCCCO)CC2)cc1 1316533721 BLKJZCOCWCUVHX-UHFFFAOYSA-N 447.543 1.933 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 1318851820 FIFSZSMRZPFKEV-QZQOTICOSA-N 436.468 1.438 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)(C)C 1358946128 JSVDQVBPODQPTO-UHFFFAOYSA-N 431.566 1.612 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358964894 JQLJKYGOCJPFRU-XLIONFOSSA-N 449.602 1.830 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1358970535 QXAKJTUTSDJLGD-QFIPXVFZSA-N 425.489 1.415 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1359021949 HVPSPBLNICCIOY-IBGZPJMESA-N 447.547 1.927 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1359022375 XMHJMJOASMYFPM-UHFFFAOYSA-N 425.514 1.878 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC(=O)N(C)C 1359025424 NMGDROGPUJKEAD-IBGZPJMESA-N 427.505 1.745 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1359036592 AQNKJRCPZXKIEK-UHFFFAOYSA-N 440.523 1.045 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCC2)CC1 1359038032 ICRNUGITKKGQOD-UHFFFAOYSA-N 428.562 1.330 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC)CC1 1359042472 HYYAWZLFODURAI-UHFFFAOYSA-N 433.520 1.687 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359048654 YDKWHAHEECFLFL-UHFFFAOYSA-N 436.582 1.840 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1359108417 NHSXNBRKZOTEBV-UHFFFAOYSA-N 444.565 1.775 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1359278929 LVHDIEMFUJCHMY-OAQYLSRUSA-N 449.577 1.054 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1359406381 CRTOITJKOXYCPE-RHSMWYFYSA-N 430.534 1.783 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1359632570 KHKNTXOOUHAVML-LPHOPBHVSA-N 440.504 1.682 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1360206600 BMDWMKWRJXBXOA-HXUWFJFHSA-N 435.504 1.725 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1360469783 HCFUVRWRUXCXPV-YWZLYKJASA-N 433.534 1.892 30 10 IDEE CCOC(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1441141275 XIPIYIXTAQEDAI-KRWDZBQOSA-N 428.518 1.906 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCNC3=O)cc2)c1 1454772802 FZMRZYVKBLSISE-UHFFFAOYSA-N 426.498 1.053 30 10 IDEE CSc1ncc(I)c(NCCN/C(O)=C2\N=CC=CC2=O)n1 1458160999 AMXXVHUSNURGIZ-ZRDIBKRKSA-N 431.259 1.741 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(CC(=O)NCCC)CC3)n[nH]2)c1C 1464130774 QIMCDQHCOWPDGT-UHFFFAOYSA-N 427.553 1.796 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO 1499306792 FQJULDRLKOVQJD-VQTJNVASSA-N 437.548 1.378 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1501432151 LQRHGCAZKMQCSL-JOCHJYFZSA-N 437.504 1.066 30 10 IDEE CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1503285976 PCRZGWGHBMOODR-HOTGVXAUSA-N 440.570 1.071 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)CCO1 1503770204 DRDRPBOFISVGDT-AZUAARDMSA-N 449.515 1.664 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](COC)C2)CC1=O 1504899633 GYIRAFKCJZSMMX-MOPGFXCFSA-N 438.532 1.784 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1507536861 FKCQDLSGWKTPTR-DNVCBOLYSA-N 443.529 1.863 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507631036 AZZVECLCWFCPGW-OALUTQOASA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507637912 NLAIEVVYKMBJEI-CSODHUTKSA-N 436.578 1.698 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1507660693 YEFOJIMQLKZWPK-CQSZACIVSA-N 432.575 1.733 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507665450 OBIYDGSVVBFTFQ-OAQYLSRUSA-N 433.560 1.746 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(CC)(CC)OC)CC1 1507720466 HHCPXCCIOVICKW-UHFFFAOYSA-N 449.563 1.881 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1508041539 PIBKRPMHNQZXMG-AEFFLSMTSA-N 428.541 1.271 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508075477 XCWBVEMHWPTWTF-OAHLLOKOSA-N 442.520 1.322 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508104748 NJZTWKKGKDIIEY-SJORKVTESA-N 445.545 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(OC(C)C)CC1 1508132115 VIQHLSQDMJYTKZ-UHFFFAOYSA-N 427.571 1.411 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1508148061 FPDWPECSKYUXLD-OALUTQOASA-N 441.529 1.361 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1508631999 SMWMQEDKYARNLR-CYBMUJFWSA-N 429.481 1.039 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)c1 1510596545 GNKIUKJXAPZAAM-SFHVURJKSA-N 445.545 1.780 30 10 IDEE CC[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1514065338 RLVYMWGUNIYIAH-YJBOKZPZSA-N 448.549 1.750 30 10 IDEE C[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)C(=O)N1c1cnn(C)c1 1514697549 BUPTXCHXTCLFTR-ABAIWWIYSA-N 432.278 1.743 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1516974152 BHTCHDGHYWFPBD-UHFFFAOYSA-N 447.490 1.656 30 10 IDEE Cn1cc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CCO2)cn1 1517375469 HFTINJIKINQMRC-HXUWFJFHSA-N 437.504 1.527 30 10 IDEE C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1521786622 WNOBJDLFVCEMFO-CQSZACIVSA-N 439.476 1.545 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)c1 1528783880 KSGLCIJFDYZHHA-HNNXBMFYSA-N 431.539 1.348 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539134384 VGIGUGQSFMLXNI-UHFFFAOYSA-N 442.545 1.660 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1539149622 UZRIIHIBHWJWLC-MRXNPFEDSA-N 441.561 1.809 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539222308 VLPNYAJAGGGYQG-PMACEKPBSA-N 444.557 1.626 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1539307957 ZEFYPTWIFJFREU-VZCXRCSSSA-N 449.902 1.983 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CN(C2CC2)C1=O 1539421428 SHSMJSIXCRWKCB-QFIPXVFZSA-N 425.537 1.237 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncnn2-c2ccccc2)CC1 1539828443 KFBUMPJYTKRFCX-MRXNPFEDSA-N 442.549 1.674 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1540170264 MACBLJJVFBDDCF-OALUTQOASA-N 437.610 1.860 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(c2ccnn2C)CC1 1540902898 TWJAKKSXRUISGL-KRWDZBQOSA-N 434.566 1.500 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)CCO1 1541073669 BXUDHCJMCSNDQN-FQEVSTJZSA-N 425.537 1.498 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1542468837 KGTZEVUSBRYLIS-KKSFZXQISA-N 441.467 1.596 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 1545534400 GOTXWCCPILQDNW-UHFFFAOYSA-N 438.556 1.486 30 10 IDEE CCNC(=O)C1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CCC1 1547755304 PDFURKUSTYEBMU-CQSZACIVSA-N 427.509 1.908 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCC1 1554320143 HTNXROOQQDZVNA-UHFFFAOYSA-N 433.534 1.515 30 10 IDEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1557081766 JNFRWTQSQWSMBR-SJORKVTESA-N 436.578 1.199 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1557249219 IYTAUOMDZYDUPW-ZDUSSCGKSA-N 446.451 1.328 30 10 IDEE C[C@H](c1cccc(C#N)c1)N(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 1559930701 DWNGILIUEVYZTG-MRXNPFEDSA-N 431.496 1.925 30 10 IDEE N#Cc1csc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)n1 1565411129 KNKOIJAPPTVBLL-UHFFFAOYSA-N 445.448 1.648 30 10 IDEE C#CC[C@]1(C(=O)NCCS(=O)(=O)C2CCOCC2)CCCN1C(=O)OC(C)(C)C 1569308367 ABBFRRWRLIXAKO-HXUWFJFHSA-N 428.551 1.489 30 10 IDEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(CC(F)(F)F)CC1 1570323546 WGPSLQUMDBLLDR-UHFFFAOYSA-N 432.468 1.600 30 10 IDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1588008756 MQEIOQUFXVXJNF-DMTCDCDWSA-N 437.493 1.194 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1588044990 FBJFOPJIHBZYMX-SFHVURJKSA-N 439.541 1.859 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCC1 1588089752 OWWPAXLBBXWNSF-UHFFFAOYSA-N 440.573 1.925 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1N1CCOCC1 1588159438 WSUXIMMDXOMSFW-UHFFFAOYSA-N 432.528 1.358 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1588233053 APUCVOJNUJMYQM-GOSISDBHSA-N 433.578 1.510 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1588314807 RKPVWGADHXQRLD-PMERELPUSA-N 426.546 1.903 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1COCCO1 1588559407 GFFAUDREQRRHJQ-LJQANCHMSA-N 427.480 1.595 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1588732456 AUXIUDKUXOKVMQ-UHFFFAOYSA-N 427.549 1.759 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1594963795 XNCXCPDGFYLFKT-INIZCTEOSA-N 438.554 1.530 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1595490496 UFUKEVPGWDRLSD-CYBMUJFWSA-N 434.298 1.077 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2cncn2)C1 1595497317 XRKLLSASQAOSOI-QGZVFWFLSA-N 437.464 1.589 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595577133 JTPLYBJLJKYSHP-AWEZNQCLSA-N 432.912 1.480 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1595593319 ADXHEPZYWKCUSD-UHFFFAOYSA-N 444.511 1.746 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOC 1597051304 UHJAGUJWONOUPM-MOPGFXCFSA-N 431.533 1.783 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2OC(F)F)CCO1 1620355139 GXAFPSZQSZESGF-CABCVRRESA-N 432.431 1.802 30 10 IDEE COCCn1nnc2c1CCN(C(=O)C1CN(c3ccc(Br)cc3C#N)C1)C2 1624886438 ZYEPBCHMUMGVCZ-UHFFFAOYSA-N 445.321 1.580 30 10 IDEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1625386907 HCTSGCFGAUADBH-ZDUSSCGKSA-N 442.324 1.981 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 1630438570 ITJDKMAVXRSMKU-UHFFFAOYSA-N 431.445 1.427 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)s1 1631284097 NGINUFWFTIZOGH-OAHLLOKOSA-N 426.482 1.917 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CC2)CCOC1 1633317968 YKXMPRRBAVOVKM-OAQYLSRUSA-N 432.546 1.447 30 10 IDEE Cc1n[nH]cc1CCCNC(=O)CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1633595813 NKILNVLUMQYWBP-UHFFFAOYSA-N 445.564 1.924 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1Br 1637086887 BLIGYLWHBYQJPF-UHFFFAOYSA-N 438.322 1.385 30 10 IDEE CN(CCN(C)C(=O)c1cc(C#N)cc(N(C)C)c1)CCN1C(=O)c2ccccc2C1=O 1638121918 AONWONWMHPFIHU-UHFFFAOYSA-N 433.512 1.924 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CCOC2=O)CC1 1642190265 GPEATQAJGPXDNZ-QGZVFWFLSA-N 448.545 1.583 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1645029149 FKMSEBPEUNDLGO-GOSISDBHSA-N 444.532 1.184 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cc1 1648188262 AWHXWUBTVKPKBZ-HXUWFJFHSA-N 444.557 1.223 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3CCCS3(=O)=O)C2)C1 1648417138 GWMSCBDEYPQVQR-NGEICVOHSA-N 440.566 1.315 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1 1669554260 AKUMWNCRACJSCI-LBPRGKRZSA-N 429.470 1.229 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)c1 1683544156 CFWMAHJHEVQAAW-UHFFFAOYSA-N 433.472 1.037 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986702 VPHSCMMPNWHYRF-ADKRDUOOSA-N 449.602 1.514 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690000775 BFRWQASQQVLMDP-UGKGYDQZSA-N 426.542 1.442 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1690015373 KGJXMSRMPAQAHY-OAQYLSRUSA-N 432.528 1.183 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccc(CS(C)(=O)=O)c1 1690022873 WGPAOUZEEPKYSW-UHFFFAOYSA-N 433.537 1.930 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)nn(C)c2CC)CC1 1690109662 ZDJVIGSQKFGEKF-UHFFFAOYSA-N 438.580 1.176 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690311020 BFIMIDDJAOYEAS-INIZCTEOSA-N 427.571 1.283 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1690994989 BAORRBKKOFWUJT-IAGOWNOFSA-N 446.577 1.665 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1693917634 BQJHHUGUYRZGCU-PGRDOPGGSA-N 425.537 1.926 30 10 IDEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1695204717 TZPHDKWBICVHRC-WOJBJXKFSA-N 440.548 1.909 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC=CCO1 1696329149 IYUUIXZFUWTRSZ-QGZVFWFLSA-N 426.525 1.400 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1697989202 ZISRRQVQVAKYLE-QHCPKHFHSA-N 437.548 1.644 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1705476425 ACQYSQFBKQJUCT-UONOGXRCSA-N 438.554 1.698 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705567371 XIERWLUWEOWJKS-QGZVFWFLSA-N 444.561 1.569 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705649010 HADQKUVRYBDPIQ-SFHVURJKSA-N 435.532 1.221 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OC)C1 1705658632 WAXPXRVFYVEOPT-OAHLLOKOSA-N 434.591 1.830 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705729061 JUICBGSOTQUOJU-SFHVURJKSA-N 432.569 1.849 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1705863729 CTUSNCQPOKNNMO-CYBMUJFWSA-N 436.567 1.319 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1705868787 BHQILRZLMPBNFQ-UHFFFAOYSA-N 438.536 1.268 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705903045 PDGUNYOXEPZFAF-KRWDZBQOSA-N 426.525 1.247 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C(N)=O)CCOCC2)C1 1705922390 MDYYXPRLQAZEIH-QGZVFWFLSA-N 426.521 1.712 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cc[nH]n2)C1 1705926583 HBUMJVDUNQNTDJ-INIZCTEOSA-N 442.549 1.568 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)F)C1 1705926952 OIXICRARDCTYFD-MRXNPFEDSA-N 445.474 1.679 30 10 IDEE CC(C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1706072657 GITHDGVPXJJPJJ-FUHWJXTLSA-N 443.552 1.958 30 10 IDEE Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1707918938 BTTZLKFSVYIQIC-NQKFGRBQSA-N 426.452 1.830 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN1CCCS1(=O)=O 1710756281 CQSPKTIKSHGGQG-MOPGFXCFSA-N 444.561 1.594 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1710778640 MWTHFPBZMORCSG-WPCFFEEUSA-N 444.536 1.909 30 10 IDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1711455867 CXOGDZKOJSMEHD-UHFFFAOYSA-N 440.504 1.643 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1712510121 BZHYKNMTXCVFMJ-QFBILLFUSA-N 447.561 1.945 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC=CCO1 1712537832 XBJZQGNQDNBFCX-MAUKXSAKSA-N 440.504 1.882 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2ccco2)CCO1 1712884734 RFMBGZNCGUTMKF-CQSZACIVSA-N 442.426 1.899 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722359683 ABPLTPHUIXGRRT-FUHWJXTLSA-N 444.561 1.272 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1722360100 YYCTYJOYDRBUBN-HZPDHXFCSA-N 442.607 1.027 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722365131 KIBFHPQVTWLEDK-QGZVFWFLSA-N 430.559 1.339 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCCCC2)CC1 1722445973 HRMOLUABNGEYEV-UHFFFAOYSA-N 425.537 1.340 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](COC)C1 1722461521 GUMKQFZPQHAMBO-HNNXBMFYSA-N 435.575 1.488 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722624985 IXGDXPWDMUWJDW-INIZCTEOSA-N 437.508 1.180 30 10 IDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722664797 AMNRYIHNQJGZKF-UXHICEINSA-N 440.566 1.047 30 10 IDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722690363 DXVUJULWJLRWPD-UYAOXDASSA-N 446.596 1.364 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1722699796 YQKQAXGKROUPEQ-ZACQAIPSSA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722728322 PSDUDYNHRAMFAK-UHFFFAOYSA-N 443.577 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722729065 DRNZSRRBVGQLOW-HDICACEKSA-N 438.525 1.459 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1727482115 CICVPDNIMACSET-IERDGZPVSA-N 426.525 1.712 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1731182569 YLEWWYHRQXVPMB-CZIZESTLSA-N 435.513 1.896 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1740548958 CNHSJDRDRPMTBA-PXNSSMCTSA-N 438.557 1.931 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2(C)COCCO2)c1 1740564627 SMRCKMGYZSMDSX-MBSDFSHPSA-N 439.516 1.644 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(S(=O)(=O)NC)c1 1740609709 RMUAIXSFUFOBGZ-UHFFFAOYSA-N 442.501 1.032 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740622608 ZSGLSJIICOYEIK-IIBYNOLFSA-N 443.529 1.411 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1740653492 OBWKFAKZJHFQEI-OAQYLSRUSA-N 444.539 1.863 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1740882424 KQCZTVRFRJRCSM-SFHVURJKSA-N 429.477 1.218 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740884907 QFKAKMDKIWZCRH-CQSZACIVSA-N 437.522 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)C1 1740993217 ZPBZMUFYSPAILE-QGZVFWFLSA-N 445.593 1.899 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1741003588 XVHOZTHPXCHBPP-INIZCTEOSA-N 448.593 1.019 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1743173712 AHYFXXBYCMATIS-FOIQADDNSA-N 431.518 1.125 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1748667699 YKGSITYILLMSDQ-ZYSHUDEJSA-N 436.516 1.853 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748802765 ISNHGYLSPHFMSS-XHSDSOJGSA-N 431.459 1.335 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748816906 AVOSTLIBOPIXAU-GOSISDBHSA-N 437.610 1.214 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)COC 1748831592 QUZGPQUQDHDGLJ-UHFFFAOYSA-N 443.573 1.941 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1748846912 MHLOENXJVKUBDS-IBGZPJMESA-N 434.525 1.487 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749220824 QREOMDUHRAPBST-UHFFFAOYSA-N 427.553 1.579 30 10 IDEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1749253358 MTHKJTMNPJEIAJ-ZDUSSCGKSA-N 443.733 1.750 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCc3ccccc32)CC1 1749287159 YCMATXRBDLNFBS-KKSFZXQISA-N 431.562 1.879 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnn(C)c1C 1749736980 VIVSSPIPEJOOAK-UHFFFAOYSA-N 449.606 1.913 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)CC1 1749873116 ADQVPDGHUJPDEQ-UHFFFAOYSA-N 437.504 1.768 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1750060447 LOZVGQBANIWFNE-IBGZPJMESA-N 447.499 1.601 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1750068361 BEUGDLLUCCSAEG-MAUKXSAKSA-N 439.520 1.340 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1750215873 FNBQFELTENVAPI-UHFFFAOYSA-N 432.506 1.005 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750553190 YDPBAYCHKOHZGV-AXNLMSORSA-N 441.536 1.423 30 10 IDEE CC(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1751053544 CQRHEGWLIQGEGE-HZPDHXFCSA-N 439.524 1.031 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1760174690 GZNXALSUQMSVBY-LSDHHAIUSA-N 429.612 1.458 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1760175963 WDDAJQNSJLWJSW-IBGZPJMESA-N 443.573 1.443 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760183373 ORJJDVZVGQYORV-YOEHRIQHSA-N 433.490 1.515 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1760247535 FPYKQRBXXYOMIB-KRWDZBQOSA-N 441.557 1.958 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)C2CC2)CC1 1760264165 DJSOHIUFLORGCN-HSZRJFAPSA-N 425.533 1.782 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCS2)CC1 1760266157 RCDQQPFKYBPXCA-AVRDEDQJSA-N 447.605 1.792 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760356739 VXWAJIVAHZYSGW-ROUUACIJSA-N 428.541 1.872 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760361750 RGUCUKWJDAVNAO-OAQYLSRUSA-N 437.541 1.800 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760448198 XWPZDAWDWPMWKN-SFHVURJKSA-N 443.504 1.608 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1760523466 YYSSAPWOCCQFRP-UHFFFAOYSA-N 441.565 1.381 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1760523666 FCDPNBYHYXRLGT-SFHVURJKSA-N 425.537 1.846 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CC1 1765500040 MDISEBUVDBNHCL-SJORKVTESA-N 442.568 1.770 30 10 IDEE COCC(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1769159012 JANYESMNLUVYEG-HNNXBMFYSA-N 428.493 1.416 30 10 IDEE COCCN(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1769782930 FEBGYVJKLJMXLJ-QFBILLFUSA-N 432.500 1.864 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1771368181 GHGFKQRIXAWFQF-INIZCTEOSA-N 430.534 1.371 30 10 IDEE CC(C)[C@@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1853267232 WMZJEIZZKAWXNN-IBGZPJMESA-N 434.562 1.326 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@@H](CN3CC(C(=O)N4CCCC4)C3)CC2=O)c1 1856111751 UAETXKFVVZGMEP-MRXNPFEDSA-N 428.920 1.949 30 10 IDEE C=CC(=O)N1CCN(C2=c3cc(Cl)/c(=C4\C(=O)C=CC=C4F)c(F)c3N=CN2)CC1 1857790994 QIQWMIZVWVSRAS-ISLYRVAYSA-N 430.842 1.281 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCN(C(=O)c4cccc(C#N)c4)C3)ccc21 1858298047 DCIOGFOACCCNCY-LJQANCHMSA-N 438.509 1.660 30 10 IDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCCNCC3)cc2)c1 1858662186 XVTNVNPDCPIFIR-UHFFFAOYSA-N 441.513 1.182 30 10 IDEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CSc1nnnn1C 1870168005 CLSPGTNPSNXUHA-UHFFFAOYSA-N 427.486 1.972 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCN(CC)CC 1870525145 GEKHZMCEBBVSHK-UHFFFAOYSA-N 448.608 1.896 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCCC)nc1C 1872649025 GQRBCZJNBHJABC-UHFFFAOYSA-N 437.478 1.654 30 10 IDEE C=CCn1c(C(=O)NCCCOC(C)C)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593622 SLLDNWZSUGNYMD-UHFFFAOYSA-N 428.537 1.831 30 10 IDEE COC(=O)[C@H](CC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1)NC(=O)OC(C)(C)C 2060639251 FYOYKCBYNIVHCI-IHRRRGAJSA-N 438.330 1.993 30 10 IDEE C=CCC1(NS(=O)(=O)c2c(Br)cc(N)cc2Br)CNC1 2191707172 MISGYKJGRNRJEF-UHFFFAOYSA-N 425.146 1.990 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2213510021 XKFPNSVIPXSUFH-XUWVNRHRSA-N 443.541 1.303 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2243405386 FNZRXOQITCFQAC-CYBMUJFWSA-N 426.344 1.663 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(=O)O)C1 2247544381 PEIGYRHZUGQNHE-HRZDDSQGSA-N 429.517 1.995 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2255644340 IDDNUXJLYBSEFB-UHFFFAOYSA-N 432.330 1.953 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255866552 SIJQAQCDWCCARO-OAHLLOKOSA-N 434.342 1.943 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063429 OVDHOFYQXPKKBK-UONOGXRCSA-N 432.330 1.904 30 10 IDEE C=C(CN(C)C(=O)[C@@H]1[C@@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256668459 AUBVSMIAJKMRQE-JYJNAYRXSA-N 440.346 1.364 30 10 IDEE Cn1cc(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267134829 VFDHUMWEBKVDCS-WOWRSWPSSA-N 446.357 1.895 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267590169 LFFHETSAWCKGOJ-UHFFFAOYSA-N 445.325 1.190 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267805970 QFHQBNHLKCSPKL-JKSUJKDBSA-N 448.325 1.713 30 10 IDEE C[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)N1CC(NC(=O)OC(C)(C)C)C1 2268718128 OTQZGHDFTVYSRI-CQSZACIVSA-N 446.357 1.917 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2315533239 LRUKMOVQJRMMBC-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE C=CCOc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)NCCC 2330743686 RLYGTJOFOPVPGO-UHFFFAOYSA-N 430.534 1.980 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2337299719 VQPXONWJVDBUQP-QLFBSQMISA-N 446.357 1.705 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)c1 20292565 LMIIHOYNLOZAEO-UFFVCSGVSA-N 425.478 1.522 30 10 IDEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 102506191 LXOWYNDEOOISHQ-NNWMPZTLSA-N 447.495 1.792 30 10 IDEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 103936596 OCWBOBLRWVCTPB-DFBXPRTLSA-N 447.517 1.808 30 10 IDEE C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 105317506 SMFNOWBNUOSMSD-MRXNPFEDSA-N 425.507 1.436 30 10 IDEE CCC1(CC)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCS1(=O)=O 428698417 DUZJWYRFELXRDJ-AWEZNQCLSA-N 427.548 1.041 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cn1 461304582 VWAZFCLJOLIIHA-UHFFFAOYSA-N 439.453 1.713 30 10 IDEE C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 474702429 DBMLRWCQVKCURB-HTAPYJJXSA-N 427.526 1.946 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(C)=O)C[C@@H]3C)nnc12 477984694 DLLMINUSJNWKHB-AWEZNQCLSA-N 440.529 1.402 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 478744977 KCVYRDFBVZLPES-MRXNPFEDSA-N 441.528 1.572 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 480970527 LFWAJFKWYQYJRE-CYBMUJFWSA-N 440.547 1.450 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCCC4)nc3)C2=O)cc1 488603788 UHOOAXVYQSBDGM-LJQANCHMSA-N 432.484 1.409 30 10 IDEE COC(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1C1CC1 507751363 IOFJXQISOGPQNQ-ZDUSSCGKSA-N 442.497 1.600 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)cc1 532642720 KCYLCLYLZQFGAT-UHFFFAOYSA-N 431.543 1.448 30 10 IDEE Cn1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCO3)CC2)c1=O 549517443 SCEBPOXQNLYXMN-LJQANCHMSA-N 446.515 1.416 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCO2)CC1 559202643 BHIQERRUISUEDJ-ZWKOTPCHSA-N 439.582 1.583 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(F)c1 586859586 CBEBHKSBEUJARL-UHFFFAOYSA-N 428.851 1.952 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2OCCN2CCCC[C@@H]2C)CC1 591067460 FZNHKRFLCOBICS-FQEVSTJZSA-N 428.577 2.000 30 10 IDEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 610232723 IOYUSIHUNDWEKX-CQSZACIVSA-N 439.497 1.926 30 10 IDEE C#CCN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)[C@@H]1CCS(=O)(=O)C1 729331788 PGYNGMMPWZHKBI-GOSISDBHSA-N 436.489 1.745 30 10 IDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 729332033 TYNWDQOHBCZSMF-GOSISDBHSA-N 434.539 1.157 30 10 IDEE C#CCN(C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1CCS(=O)(=O)C1 774156736 PFUXUBZRZMICQO-NSHDSACASA-N 449.842 1.733 30 10 IDEE C#CCN(C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 774181363 UVLULLFNSORSKO-AEFFLSMTSA-N 435.546 1.437 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)ccc1F 781845522 NFLILFYKAUBHHO-OXQOHEQNSA-N 442.509 1.767 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)n1 788635193 XBGOFZFWJXHGCT-UHFFFAOYSA-N 448.501 1.387 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)n1 788695670 WXCSHVVLBHNCRW-UHFFFAOYSA-N 436.446 1.048 30 10 IDEE CCOC(=O)C1(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)CCOCC1 797123960 HYIMZJRICRNYMS-UHFFFAOYSA-N 445.291 1.486 30 10 IDEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 798362903 NLJHHTRUHUEWRY-MSOLQXFVSA-N 443.573 1.443 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2)CCN1C1CC1 802321978 UMOXRJPAOZLGRY-QUCCMNQESA-N 440.573 1.599 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1 807930885 WBKXGJMVWDZAEH-QGZVFWFLSA-N 429.550 1.323 30 10 IDEE C[C@H](CC#N)N(C)S(=O)(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 812529442 CUMZIDMMCCCQBG-WWDZGPRUSA-N 443.614 1.919 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 914498169 KJBYIMVVHRQZBD-UHFFFAOYSA-N 447.463 1.475 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)CC1 1148023318 JMQWQMBOWULONZ-UHFFFAOYSA-N 431.537 1.887 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1=O 1156253597 FHWFDHDCTRSWDE-MSOLQXFVSA-N 441.532 1.936 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2n[nH]c(C)n2)CC1 1164291466 GRTVTPKIKFAMJO-MRXNPFEDSA-N 445.549 1.059 30 10 IDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1168187665 QVNMUZZSVNOWAL-IBGZPJMESA-N 446.573 1.722 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1176496118 ODUKSJYJCZOSFA-IBGZPJMESA-N 434.581 1.254 30 10 IDEE Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)ccc1N1CCOCC1=O 1179565439 YUUDVADDDZYGLQ-UHFFFAOYSA-N 442.497 1.721 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)CC2)cn1 1225092045 AAIKQLXHMGCIIH-JOCHJYFZSA-N 448.527 1.894 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1286278302 MWLJYNSTHWDOPY-GJZGRUSLSA-N 436.607 1.466 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1286298458 JYBHBVPALZMCOV-LFDKBHOUSA-N 431.581 1.900 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1286394461 OQLZABMRNOBPDJ-AABGKKOBSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1286397457 ZMCGCMGXWLSVLY-RTBURBONSA-N 433.578 1.408 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1286414967 FOOLHKCJAKVCDT-UHFFFAOYSA-N 434.544 1.137 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1286421993 IBHSEURZFVYFEX-XMMPIXPASA-N 437.544 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2CCOCC2)CC1 1286495481 XCQDJDJJOOUOKP-LJQANCHMSA-N 444.580 1.206 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286605723 UILJXWOGTBIDIB-KRWDZBQOSA-N 425.493 1.406 30 10 IDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1286677703 IEASCIGTHPOSKA-QRQLOZEOSA-N 444.561 1.977 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnc(C(C)C)nc1 1286781594 VEQROJCEHWIWIR-UHFFFAOYSA-N 449.519 1.777 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286787753 ZQIGBZKCFQMCJV-UHFFFAOYSA-N 425.537 1.645 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286833085 UXGFABDELRPRQE-JKSUJKDBSA-N 441.623 1.594 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccncc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1286889371 DXFVFBRMRQRQMD-HSZRJFAPSA-N 436.564 1.558 30 10 IDEE CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1289424602 LPXBZYHXLPHXAK-OLQVQODUSA-N 437.243 1.036 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NS(=O)(=O)CCC)CC2)s1 1290818492 WAQBARSKUPGKIV-UHFFFAOYSA-N 449.620 1.075 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1291278737 BCZCIPMECKOJFX-ICSRJNTNSA-N 440.548 1.801 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)CN3CCCCS3(=O)=O)c(C#N)c2N)cc1 1294271453 HJZAMCRFJILDGC-UHFFFAOYSA-N 430.534 1.109 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1296132261 AFGDTBWTZIVYBZ-WMZHIEFXSA-N 442.612 1.557 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1296471534 FYQRAKXKDOPSTB-NRFANRHFSA-N 432.525 1.011 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1298208546 LLCOLWWUNZRKPT-UHFFFAOYSA-N 433.520 1.754 30 10 IDEE COCCOCCN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1300159688 LUZXRDSAJILSEQ-UHFFFAOYSA-N 432.370 1.715 30 10 IDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300401172 OYMJXTMARODEQM-IBGZPJMESA-N 444.561 1.384 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300486779 AZUWTZWHUPYLTP-RTBURBONSA-N 444.605 1.642 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1300502758 WSZLPGNIGWGFAG-INIZCTEOSA-N 445.574 1.226 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1300654618 BBLIFMRQEJJMHC-ZWKOTPCHSA-N 436.520 1.822 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300983412 YUPXWJCYWFQBRO-MRXNPFEDSA-N 437.508 1.465 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1303488552 DKIDZODWPJTYJC-QVKFZJNVSA-N 428.493 1.499 30 10 IDEE C[C@H]1C[C@@H](C)CN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1304924586 INGHKOMJFMUVIT-RDGPPVDQSA-N 429.569 1.716 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1313273427 LZTVNSMSZHEMNO-UHFFFAOYSA-N 427.530 1.821 30 10 IDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCN2S(C)(=O)=O)cn1 1314896911 DDZUPWNTGIGKBD-QGZVFWFLSA-N 432.554 1.233 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)OC 1316205402 OMAMDHJIAXKZNE-IAGOWNOFSA-N 429.525 1.630 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)cc1 1342864389 JSHVVTUEGHHMTC-HNNXBMFYSA-N 445.497 1.861 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCS(=O)(=O)CC 1358928807 LERUJKBGRPTJJX-UHFFFAOYSA-N 445.593 1.736 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccc(C)cc1 1358949024 RBIHPCRRIHMESO-MJGOQNOKSA-N 447.561 1.456 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1359023227 DNVAORHUHAIWJW-IRXDYDNUSA-N 448.568 1.818 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359298005 JOKSZQWGNZNDKY-SFHVURJKSA-N 441.536 1.592 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCCC2=O)C1 1359321075 ZQFQNFDDGLPVNG-ZWKOTPCHSA-N 430.553 1.803 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1442974551 SXESQCULLDCSOF-IBGZPJMESA-N 434.581 1.696 30 10 IDEE C#CCN(CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1445465163 OYRMRBDZLCATPX-JKSUJKDBSA-N 425.526 1.997 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CNC3(c4ccc(C#N)cc4)CCOCC3)CC2)o1 1460621840 QKMNXZKHTZQUKW-UHFFFAOYSA-N 434.500 1.670 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1464956627 YGVKJCUHLFMYTN-WBVHZDCISA-N 439.559 1.419 30 10 IDEE COc1ccc(CCNC(=O)CSc2ccccc2C(=O)NCC#CCO)cc1OC 1467504512 RRAIPEOYACRKNI-UHFFFAOYSA-N 442.537 1.880 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1469509061 FUWDTYCBZNTBHE-HNNXBMFYSA-N 439.500 1.810 30 10 IDEE CCc1cccc(C)c1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1473069763 YUFRNCPPAQFIPY-UHFFFAOYSA-N 426.473 1.733 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O 1474858620 KADONXUAUAZIPS-LBPRGKRZSA-N 436.338 1.410 30 10 IDEE CC[C@H](Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)OC 1497281538 AZXXVFRRQHLABZ-CVEARBPZSA-N 437.504 1.829 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N(C)C 1504874572 UUFJZBCURVAKNE-LJQANCHMSA-N 426.521 1.785 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507627054 IHWIBQVWHJBRPW-IAGOWNOFSA-N 436.509 1.565 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507629199 KPQBSCUWEYACIO-RTBURBONSA-N 442.589 1.841 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1507630586 CQGDCZKMPYLQIP-HZPDHXFCSA-N 432.575 1.505 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507732165 TVMBTPCWCIEWBC-SFTDATJTSA-N 429.613 1.301 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507849617 ZQRKTBWNQIQLII-SELNLUPBSA-N 447.580 1.874 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1508080472 PBYDJEBCJZNQQG-UHFFFAOYSA-N 430.534 1.220 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCCO1 1508143733 NCFNHCJUHSYBFG-SFHVURJKSA-N 436.582 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1508144413 QBGDXDZGRFXAIW-UHFFFAOYSA-N 445.524 1.529 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1509937239 AQPVSDBAPNHMIN-GFCCVEGCSA-N 433.318 1.861 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCCS(C)(=O)=O 1511890023 PNCSZQWPOJQPLW-HNNXBMFYSA-N 432.554 1.178 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)COC)CCN2C1=O 1515753392 ATTQRDGOMNQRJE-YJBOKZPZSA-N 437.504 1.572 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1516649022 BMEPVXWHHDOCTD-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1517039101 SGXPMJPBCQLENS-UFVMTTLYSA-N 433.472 1.568 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1517445941 APGZRVMTJZKQBN-BTYIYWSLSA-N 430.509 1.650 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1517709037 FKVWORIEHMIERQ-UHFFFAOYSA-N 425.493 1.620 30 10 IDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1518895056 DVNRYLZJDQWIDY-PGRDOPGGSA-N 426.521 1.268 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)c1 1528784106 OQNJCSWZCYZBGU-UHFFFAOYSA-N 442.378 1.794 30 10 IDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539132853 CGLVMPXEPOCQOO-UHFFFAOYSA-N 436.560 1.980 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1539229674 GPXIUEIIOLLVTC-GHTZIAJQSA-N 448.593 1.318 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1539307046 PIHXHXIGGHESKO-SFHVURJKSA-N 438.442 1.808 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539336997 BIMJKLVOGBBUGB-HSALFYBXSA-N 445.589 1.797 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1539340038 BWIANELOLNIGQB-UHFFFAOYSA-N 447.499 1.911 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(COC)CCOCC2)CC1 1539489210 IQBJNJODQPOVOC-LJQANCHMSA-N 445.564 1.539 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1CC 1539751388 MJDQDHCDQOZHSQ-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540875295 HGXNQQAKOZJYRM-OAQYLSRUSA-N 446.939 1.775 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCOCC2)C1 1540881918 WVWIXOVTCSEHRT-OALUTQOASA-N 432.569 1.264 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)N(C)C)n1 1543061417 CYDAIVFHBZBCRZ-IBGZPJMESA-N 448.579 1.683 30 10 IDEE CCOCCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1548287332 QJTTWGOVLOIQEJ-PXNSSMCTSA-N 444.536 1.674 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCOCC1 1555117147 AMELXVPMZGKEAF-MRXNPFEDSA-N 445.545 1.849 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC[C@@H]1C 1555188940 UKDDSOKPXAIJSQ-MAUKXSAKSA-N 433.534 1.635 30 10 IDEE COCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1555501460 VQULBXPQKWGEBB-JOCHJYFZSA-N 442.520 1.890 30 10 IDEE COCCOCc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555709443 LTLCMVGVHJDWFD-FQEVSTJZSA-N 437.504 1.619 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CCOCCCO)cc1 1555989175 BDUKPCHGXHRMDZ-PMACEKPBSA-N 427.505 1.600 30 10 IDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1555992909 DPNXJDXIVZERQV-JKSUJKDBSA-N 428.459 1.928 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)s1 1558411835 WSNSTDSHSWHRNT-FZKQIMNGSA-N 427.548 1.492 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCSC[C@H]1c1cnn(C)c1 1558592801 LFGOXFAGMVSOHT-KDOFPFPSSA-N 433.559 1.665 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1564961540 FXHIHYWVONNVTE-LSDHHAIUSA-N 438.506 1.391 30 10 IDEE COc1ccc2nc([C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 1567878839 BVKGNJCJTVLQMO-CHWSQXEVSA-N 427.486 1.987 30 10 IDEE O=C(N[C@@H](Cc1cnc[nH]1)C(=O)NCC#CCO)OCC1c2ccccc2-c2ccccc21 1568144033 MTRMCNSDIOUHNB-QHCPKHFHSA-N 444.491 1.971 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1588045992 VGNXBTQLJZQBMR-KRWDZBQOSA-N 425.518 1.172 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588050359 RRMSACAYZBTVCE-PKOBYXMFSA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1588053635 GLLQEGKCDYOGAG-MSOLQXFVSA-N 445.545 1.251 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(OCC)c2)CC1 1588733051 LJJVUAVHYKOWQH-UHFFFAOYSA-N 436.560 1.911 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nnc(C)s2)CC1 1588752943 XNZGSMXSMSUIBJ-OAQYLSRUSA-N 445.593 1.477 30 10 IDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1589059770 JUFMGFFJPMHKIM-UHFFFAOYSA-N 446.621 1.283 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589069405 KOPANTBEWSRCBD-HNNXBMFYSA-N 432.550 1.059 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1589530565 WQBYSDOVLWMIEV-NSHGMRRFSA-N 444.580 1.953 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)OC(C)(C)C)C1 1595743805 GKDCZHXXCZOHFU-MRXNPFEDSA-N 434.541 1.707 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1596830869 FZFAGQYSWHSICA-NVXWUHKLSA-N 436.582 1.787 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1609767906 OFFHYINZFRHKEO-UHFFFAOYSA-N 445.531 1.848 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cnccn4)n3CC(F)(F)F)CC2)c1C#N 1612469775 HBTDCDQDWFZVKL-UHFFFAOYSA-N 432.414 1.538 30 10 IDEE CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1615768673 MLEYWARTERSKIG-ABUFQMGBSA-N 429.569 1.922 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1618092593 IKMTZWCUFCGDGH-IBGZPJMESA-N 447.561 1.883 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1618896513 HSXLXGFVXAMSCA-YCRPNKLZSA-N 426.477 1.245 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H]1C 1619937200 CILZBVNWBAGKPN-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1620041220 CGKNZDPLNYFMPW-RDJZCZTQSA-N 448.549 1.245 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCO4)n3CCOCCCO)CC2)c1 1620351978 LPWJDYWQZDRTFQ-GOSISDBHSA-N 427.509 1.122 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2C(=O)NC[C@H]2C1 1621179235 GARQKZDGFCOWEG-WMZOPIPTSA-N 425.489 1.629 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccnc21 1627265936 WCWHHZQGJPHFJM-MNDPQUGUSA-N 427.461 1.635 30 10 IDEE CN(CC(=O)NCC1(C#N)CCOCC1)S(=O)(=O)c1ccc(Br)cc1 1637326534 CHJBTNXCPDQSRD-UHFFFAOYSA-N 430.324 1.506 30 10 IDEE CN(C)c1cnn(C2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 1637682178 BHZSLEMILDITPV-FQEVSTJZSA-N 449.515 1.889 30 10 IDEE C#CC[C@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)OC 1638826516 KWEQBTDGSMVPAU-INIZCTEOSA-N 436.511 1.633 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)C1 1640218420 FQRAOFSTBWHNBL-SFHVURJKSA-N 428.514 1.712 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCN3CCC[C@H]3C2)cc1)c1cc[nH]n1 1644506129 AXAWVCILKIOWFM-SFHVURJKSA-N 440.504 1.617 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3c[nH]cc(I)c3=O)CC2=O)cc1 1645566245 BYODQCCERDXFDK-LLVKDONJSA-N 448.220 1.843 30 10 IDEE C=CCC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1648525906 HDYOIYWILAWTID-SFHVURJKSA-N 449.573 1.721 30 10 IDEE N#Cc1ncc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc1C#N 1651330144 HFXXISRZYZVJTL-UHFFFAOYSA-N 439.320 1.555 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1 1654760925 OECWNRAHSPFGJL-UHFFFAOYSA-N 430.505 1.668 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654889242 UFIMLTWLGIIDFD-UWJYYQICSA-N 427.530 1.688 30 10 IDEE C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1655684085 WTXZGCPNKTXPBW-DOXZYTNZSA-N 425.938 1.436 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 1659740742 FBBOCJFVXCVSFF-HSALFYBXSA-N 434.537 1.186 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(OC)cccc1OC(F)(F)F 1661513799 YNRQYOCXJXMKQX-NSHDSACASA-N 427.422 1.405 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 1687122913 ISKWAJIJYKHZIP-INIZCTEOSA-N 436.490 1.039 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)n1 1690043321 XIAAETZZKNMRPC-UHFFFAOYSA-N 430.516 1.421 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1690076958 FMXAIWNNWNICTI-LJQANCHMSA-N 445.589 1.628 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCNC(C)=O)CC1 1690115358 BYYKVBLQXWKLKF-UHFFFAOYSA-N 445.365 1.989 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)cc2)CC1 1690122432 QSOIUIDFMQOITO-KRWDZBQOSA-N 430.459 1.634 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nnn(C)n2)CC1 1690133698 QIOXLPPYLAQQOW-UHFFFAOYSA-N 443.968 1.551 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCOCC1 1690523933 UCLGODXAAWMPOU-UHFFFAOYSA-N 437.504 1.063 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1690660796 OLNRVVUWHVCRQN-HZPDHXFCSA-N 444.511 1.951 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690725168 HSTCXWSQIDCYTB-KRWDZBQOSA-N 446.577 2.000 30 10 IDEE CN(C)C(=O)Cn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696592642 SOJMIHSZLIRFCO-UHFFFAOYSA-N 431.500 1.686 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCO1 1697888147 ANDJOQAOQQEMFW-XLIONFOSSA-N 426.521 1.389 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC)C2)cn1 1698072047 AIFPXOXJRURQNI-HXUWFJFHSA-N 437.504 1.560 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2nc(C)no2)CC1 1705647511 FWRYMGASHOJEJI-SFHVURJKSA-N 441.536 1.810 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1705754844 GWSWEPYHCZLLPZ-KGLIPLIRSA-N 436.003 1.695 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705812375 XZSIJMNVQDGJOJ-JKSUJKDBSA-N 426.587 1.596 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1705884153 HSNUXSOTLIOJRS-HXUWFJFHSA-N 440.548 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705896148 CRRPYWWKEWQROU-KRWDZBQOSA-N 433.534 1.269 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705912452 KOYGIUFSMPIUOK-FQEVSTJZSA-N 434.500 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=CCC1 1705933613 NFDIGHSKORJPBB-UHFFFAOYSA-N 426.506 1.288 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)OC)CC1 1705936482 RMTWTVDEGNGSHV-MRXNPFEDSA-N 426.539 1.162 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)C1 1706938954 XSRQNALZUXCANK-MBSDFSHPSA-N 438.532 1.962 30 10 IDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C(=O)OC(C)(C)C 1711207931 HTIHYCFYQZOIQT-QGZVFWFLSA-N 439.520 1.995 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1722362048 RGUILCTUXRHQAX-INIZCTEOSA-N 427.534 1.001 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1722396218 GZHRVCGOIXYDKU-AWEZNQCLSA-N 434.472 1.419 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cc(C)cc(C)c2)CC1 1722437748 PVOJFZMBOXTNMN-OAQYLSRUSA-N 441.601 1.795 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC(F)(F)F)CC1 1722442117 YFOJSUGANRKJMW-UHFFFAOYSA-N 428.459 1.220 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCCO[C@H](C)C2)CC1 1722446788 BMJSACCZBASWCO-HXUWFJFHSA-N 444.624 1.943 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1722618878 WONVSACTQWERNW-IAGOWNOFSA-N 426.587 1.108 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CC(OCC)C2)C1 1722719938 CNLDSRXQSOVONC-PGFLUOATSA-N 430.553 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 1722725355 KIAGUULBRXUKNR-UHFFFAOYSA-N 447.561 1.613 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1722866605 BYOIBSAAWLURJQ-KSSFIOAISA-N 436.476 1.540 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)Cc1ccccc1 1723933261 DZQIQUNPEWWHEB-OXQOHEQNSA-N 449.556 1.462 30 10 IDEE CCOC1CC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1728914714 CUVSHNZGJFAYAX-WIUGKXBGSA-N 425.530 1.827 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1740547946 CEFPLUFFJMXIOF-APWZRJJASA-N 447.561 1.920 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)cc2)CC1 1740696269 POPQLFHZRSRQKF-HXUWFJFHSA-N 427.574 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1740704125 KVGJYGPOURAXNU-XMMPIXPASA-N 448.527 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(F)(F)Br)CC1 1740707891 UMVJEKYRRCSRAK-UHFFFAOYSA-N 434.285 1.768 30 10 IDEE C#CCSCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723447 QCXOIADZYSJNKJ-LEWJYISDSA-N 433.578 1.402 30 10 IDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740745276 QQCVQMMNIQAQJN-ZDUSSCGKSA-N 425.331 1.858 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCn2nc(C)nc2C1 1740752066 SEDIUFCPTMCPNQ-SUMDDJOVSA-N 431.541 1.903 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740799346 JCCUVODTFVIVPE-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=C(C)COCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740799747 VBTPPNRUAPLGPC-QFIPXVFZSA-N 448.568 1.517 30 10 IDEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740863734 FBUDYODFFHDNED-QGZVFWFLSA-N 429.529 1.211 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740953518 IRDLRAAGWBALDE-INIZCTEOSA-N 441.492 1.460 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1740957582 STTNBZKYTHTFKG-UHFFFAOYSA-N 447.543 1.938 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740962553 HGKLEQNWWLGRFO-CYBMUJFWSA-N 430.456 1.704 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740985610 JZIKPTKYEGHHCQ-HOTGVXAUSA-N 432.612 1.796 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1744770860 KKRPDWYZZIAQSA-OALUTQOASA-N 440.504 1.249 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1746975279 TZMIXPKXAILRPY-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1748170724 BZKIFPWPYRRQGC-GOSISDBHSA-N 428.562 1.895 30 10 IDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCCN1CCN(c2ccncc2)CC1 1748793323 FXULQECTARMTFH-UHFFFAOYSA-N 430.560 1.941 30 10 IDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1748795145 ZBAGAJKOCAEXIL-DQRAZIAOSA-N 434.500 1.668 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748814839 KAYLCEHNDXYGPH-KRWDZBQOSA-N 444.561 1.047 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748819462 OZTSEAXCVASYKT-MOPGFXCFSA-N 431.562 1.706 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748819696 RPMXIGMMUKJHQR-RBUKOAKNSA-N 427.530 1.583 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748823984 GPYBHXIKPJPHCK-KNKQGSTJSA-N 444.557 1.664 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC(F)F 1748825558 ZOIHLWFDVSYHJH-UHFFFAOYSA-N 428.443 1.674 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@@H](C)C1 1749073143 IIAZDJUDLOIHFF-WMZHIEFXSA-N 428.581 1.894 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749209023 JPQIMXMLOCQOHV-QHCPKHFHSA-N 446.596 1.639 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CC(OCC)C2)CC1 1749330133 XUHGNATWSUHQQK-ASFAAARLSA-N 427.571 1.221 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C)C1CC1 1749519939 UXCICBYGZKYGLG-GOSISDBHSA-N 449.581 1.430 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCS(=O)CC1 1749725898 WAOMRVDAUJJZEJ-GOSISDBHSA-N 436.603 1.990 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749729984 WFEDQRUDSWXBRP-UHFFFAOYSA-N 446.577 1.636 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749744724 OPMQRBFNAMWJLD-XHSDSOJGSA-N 445.611 1.192 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1751171196 DJYRWBFPJKWIOF-MRXNPFEDSA-N 448.618 1.735 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCn2ccnc2C)c1 1760126259 SGSCNTTZGSOQAO-UHFFFAOYSA-N 443.515 1.940 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1CCS(=O)(=O)CC1 1760220754 CEDJCCVRJUJZRU-UHFFFAOYSA-N 431.587 1.922 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1)C1CC1 1760476814 HNNAFKBEXZRDLP-GOSISDBHSA-N 436.582 1.028 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760521274 OHRBQJPABIRVEZ-UHFFFAOYSA-N 447.547 1.684 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760521364 QQLXYUYZPNLMQF-ROUUACIJSA-N 440.504 1.118 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1760554984 SSYRZNCZXMSACM-RBSFLKMASA-N 428.580 1.016 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1761362641 FUANAINUBDEZFT-KBPBESRZSA-N 426.543 1.443 30 10 IDEE CCCN1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1766145486 VMKHFOUMCOAPJX-MRCUWXFGSA-N 443.552 1.452 30 10 IDEE CCOCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767792550 AQGFOALKQVDBPE-ZCXUNETKSA-N 432.525 1.735 30 10 IDEE COCc1nocc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1769390504 RKIXGPMJJBSYHY-LIRRHRJNSA-N 434.522 1.493 30 10 IDEE CO[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1769647259 LIPXAEMBBZEVNI-LJQANCHMSA-N 435.536 1.943 30 10 IDEE CON(C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1770251650 VALJBMCYTMCDIF-FMQUCBEESA-N 426.477 1.998 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCOC2)C1 1771528975 WERKNDRZQKOOJK-KKSFZXQISA-N 443.483 1.811 30 10 IDEE CN1CCN(c2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)c(C#N)cc2C#N)CC1 1851243658 AOLWBSZHKQGFMT-SFHVURJKSA-N 429.484 1.568 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)CC2)nc1 1852280726 WZENAKJTSFQCLR-LJQANCHMSA-N 425.533 1.800 30 10 IDEE C[C@H]1CC(=O)N(C(=O)CN(C)C)c2ccccc2N1S(=O)(=O)c1ccccc1C#N 1857118208 LPIQZHXJTORCSQ-HNNXBMFYSA-N 426.498 1.967 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1c(Cl)cccc1Cl 1865721789 BKESMNVJSOHRSW-LBPRGKRZSA-N 437.283 1.388 30 10 IDEE COCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874499743 YTNZMGOVPSCSIH-YAXRCOADSA-N 430.284 1.361 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 1962319516 RGZNHGZFPJFASL-OAHLLOKOSA-N 433.324 1.852 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013635381 COKCTADJWCEPOL-HOTGVXAUSA-N 437.537 1.876 30 10 IDEE C#CCNC(=O)CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2237395456 ILGQOSPVPHLQDE-HNNXBMFYSA-N 438.322 1.751 30 10 IDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248441093 KUQOHPMAQHWDRI-LBPRGKRZSA-N 440.375 1.836 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255545947 YDRFIEBGSDZFEH-OAHLLOKOSA-N 436.314 1.945 30 10 IDEE Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)oc1B1OC(C)(C)C(C)(C)O1 2255826136 LEDRTBJRDCCQRG-UHFFFAOYSA-N 426.322 1.864 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2259926181 LRKOIDFOBRJRBB-ASSNKEHSSA-N 432.330 1.696 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267291228 NCKOEDMHLNDQQE-INIZCTEOSA-N 448.373 1.595 30 10 IDEE CN(CC[S@@](C)=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353764 FRFYPIBKWQKRCC-XMMPIXPASA-N 427.806 1.700 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2267517499 UTANEVAEGBOLQL-UHFFFAOYSA-N 440.353 1.179 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]21 2267596586 KOBFZDSXNOBPEG-ZIAGYGMSSA-N 447.345 1.338 30 10 IDEE Cc1cc(S(=O)(=O)N[C@H]2CCCC23OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2267708434 JQBKOKDZTFWBLL-ZDUSSCGKSA-N 429.369 1.930 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2315534187 OBOJKTVPDDDATJ-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2337299376 QZYQABVGIZNKOC-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@H](O)c2sc(Cl)cc2I)CC1 2367814842 KBGIWERUIKSYBI-WCBMZHEXSA-N 445.731 1.947 30 10 IDEE COc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 13149257 ROVCUUZNRNULHO-PGVNHDJNSA-N 430.482 1.240 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 109937882 CDGVGWYVAZMLEN-QGZVFWFLSA-N 435.465 1.102 30 10 IDEE C=CC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 410063674 AQVDCUOBQSVEAX-NWDGAFQWSA-N 437.381 1.965 30 10 IDEE N#Cc1ncn(-c2ccccc2NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)n1 426819295 HSLPPGAROSULHQ-OAQYLSRUSA-N 441.451 1.553 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)CC1 463372150 XEAGCFBCYGIDBU-MRXNPFEDSA-N 428.562 1.354 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 474514263 IVBCTJLDOPANFJ-YADHBBJMSA-N 443.592 1.295 30 10 IDEE C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 474702431 DBMLRWCQVKCURB-JTSKRJEESA-N 427.526 1.946 30 10 IDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(F)(F)F 480207639 UHKNHEQBFFRTNT-GFCCVEGCSA-N 431.400 1.083 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(c3cccnn3)CC2)c(C#N)cn1CCOC 481478046 ISANHGQNTZWKEC-UHFFFAOYSA-N 427.465 1.327 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN(C2CC2)CC1 508465239 PGXGGURLMSFUFT-UHFFFAOYSA-N 430.578 1.878 30 10 IDEE CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511998324 ZWEGYMSOXDOWFJ-MJGOQNOKSA-N 437.562 1.233 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 513815855 CEMRYAUBNJFPII-UHFFFAOYSA-N 440.525 1.392 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)cc1 521929153 HFPHTIMAGGGVPW-IBGZPJMESA-N 446.492 1.997 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)c1C#N 577573743 HHOMYNHNJAKGDU-GHTZIAJQSA-N 433.516 2.394 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669817195 SNJLDEFZIZBNDF-UHFFFAOYSA-N 445.593 1.345 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Cl 727682443 WNQDPACRNZRZCJ-NSHDSACASA-N 426.741 1.914 30 10 IDEE COc1ccc(COC(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)[C@@H](C)O)cc1C#N 746952893 FSIXLXYMLIXZKW-FOIQADDNSA-N 432.498 1.955 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C#N)cn3C)CC2)cc1C 751730072 TYVAITKWAJDKFF-UHFFFAOYSA-N 444.513 1.204 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3OC)cc2C1=O 766981886 HSAWSHCYEJFGKQ-UHFFFAOYSA-N 425.422 1.468 30 10 IDEE C#CCN(C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1)[C@@H]1CCS(=O)(=O)C1 774193025 PDDAYFDNNSBDEA-SJORKVTESA-N 437.587 1.633 30 10 IDEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)N(C)CC)cc1 774277541 JAGLWOKIDQFBKE-SFHVURJKSA-N 447.605 1.727 30 10 IDEE COC(=O)c1ccc([C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C(F)(F)F)cc1 776021212 YKUMDUFEJDUPOO-RIBQPWQFSA-N 440.378 1.902 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 778047569 QJMGTJRGEJFCHJ-HIFRSBDPSA-N 436.534 1.487 30 10 IDEE O=C(NC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1 782720142 ADDRPPKSJCHQBH-FTHOYRMOSA-N 440.504 1.899 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)[nH]1 786071866 UEKNMNCDHIYESX-JYRVWZFOSA-N 428.470 1.188 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCCN(c2nnc(C(F)(F)F)s2)CC1 786099478 DDRVITLQVNTFMF-UHFFFAOYSA-N 432.453 1.793 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)ccc2c1=O 802291135 VIDASNJVODYLNY-UHFFFAOYSA-N 448.570 1.511 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811457611 LTQRSHQDGULZLE-YOEHRIQHSA-N 436.534 1.598 30 10 IDEE CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(F)cc1 915270127 OTQOIIPHFRBPIE-OAHLLOKOSA-N 444.554 1.565 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cn1 1084319547 QVVZEBUEPDIKQK-UHFFFAOYSA-N 433.448 1.829 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnc3c(c2)NC(=O)CN3C)cc1 1125135909 OQOKQYJNQAOJHB-JJIBRWJFSA-N 442.501 1.535 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)nc2)c1 1125189290 RDZHAAVAMIOEHP-LTGZKZEYSA-N 436.515 1.550 30 10 IDEE CCOC(=O)c1cn(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1156469989 AMBIXHYACRZQCR-JXORXQGFSA-N 445.520 1.963 30 10 IDEE CCOC(=O)[C@@](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)(C1CC1)C(F)(F)F 1279179067 GRORPBNDQDOUMM-INIZCTEOSA-N 433.408 1.116 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)COC 1286296643 QHKYIROVILNUDE-IAGOWNOFSA-N 441.598 1.522 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286321922 UXZHODDATHDFRK-MRXNPFEDSA-N 443.577 1.709 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1286324609 QGGIZOQDLAOMMC-CVEARBPZSA-N 427.596 1.356 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CC)C(=O)C1 1286339170 JPSTWTIGFDHGJI-UHFFFAOYSA-N 429.546 1.821 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286395165 ZCZBAHYMODMJCO-UYAOXDASSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1286412821 DZMZANCOVLPJQI-IBGZPJMESA-N 427.530 1.571 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1286606834 CMACSIRIUOXWAH-UHFFFAOYSA-N 425.493 1.827 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286611580 MDYOLKMTLLVPFL-UHFFFAOYSA-N 430.597 1.958 30 10 IDEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286636072 KLJVEFDIOGGJJW-HNNXBMFYSA-N 446.964 1.778 30 10 IDEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286709352 QUJXRKBPKHIFHB-MRXNPFEDSA-N 442.520 1.769 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccnn2C)CC1 1286789930 JDGDOMQJVGUHMK-UHFFFAOYSA-N 437.552 1.559 30 10 IDEE CN(CC(=O)N1CCc2c(CC#N)cccc2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1287460226 CJQTYTCGUHIEGO-UHFFFAOYSA-N 428.470 1.866 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1288524245 ANNAEMZVILPLEY-FGTMMUONSA-N 438.598 1.155 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1292771514 CPKXEMJHWSPNSR-HNNXBMFYSA-N 448.531 1.836 30 10 IDEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1297556695 IQLJLOOSJJMEHM-UHFFFAOYSA-N 432.550 1.972 30 10 IDEE N#C[C@@H](CO)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1297879472 APGLLKAVIDBVMU-KQDRGBMMSA-N 426.317 1.651 30 10 IDEE CCOC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 1299448281 PWKWCFPGRWVRGU-KBXCAEBGSA-N 430.486 1.431 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1300276991 UHMHTBGMPSVVEO-AAEUAGOBSA-N 448.325 1.492 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1300488582 SUOGIHRFGVQZPP-KRWDZBQOSA-N 446.483 1.632 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1300493934 XHISCKWQHLVNRP-GOSISDBHSA-N 435.594 1.018 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1300733667 LLQHONLZSGBZME-UHFFFAOYSA-N 441.561 1.596 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1301296051 DSODXMTUSREAMY-KRWDZBQOSA-N 432.550 1.082 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1301490603 BJPQUCVEPNHLIJ-OAHLLOKOSA-N 429.525 1.926 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(Cn2cccn2)CC1 1301509646 JWQUYMLHZFSMGO-UHFFFAOYSA-N 437.552 1.555 30 10 IDEE CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1301930161 SOQXRAPMKMSHHW-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE COCCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1302121065 PFIVIDMSHSZDPL-OAQYLSRUSA-N 448.568 1.759 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccccn3)n1CCSCCCO)C2 1302989657 ODMHYYZQSIDIBH-UHFFFAOYSA-N 437.529 1.991 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1303010227 SEYSAIPUGYMEQV-KFWWJZLASA-N 430.431 1.121 30 10 IDEE N#Cc1cncc(CNC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1303863897 KJRAFPWXMKMHQW-UHFFFAOYSA-N 444.513 1.880 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304869749 ZBTFRLXBWIKSBC-MLSMBGFSSA-N 444.442 1.969 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1306547473 HJIUKFAPPFHHEB-MRXNPFEDSA-N 428.562 1.938 30 10 IDEE COC[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1)OC 1315801533 AANMYMJXOSQMPW-IBGZPJMESA-N 440.552 1.853 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358955917 WFJGSGFDLAECKM-QZTJIDSGSA-N 437.610 1.171 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1358958009 FPFYBHBHOPUXGZ-LJQANCHMSA-N 443.573 1.660 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1359030184 PYGCPUZVDOGLHZ-JPYJTQIMSA-N 442.539 1.379 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1359039438 JGDSOBFKUKKSHX-JOCHJYFZSA-N 438.576 1.643 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1359071244 JFHPNLLVZZIVFK-KSFYIVLOSA-N 446.552 1.715 30 10 IDEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1359138394 SRYXFEYQJSKTEZ-PKOBYXMFSA-N 429.521 1.667 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359208290 JKBQGZZOVIKMJU-RCCFBDPRSA-N 440.614 1.402 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1359216402 VWHMIJRUBDBOPA-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359297633 WPSJOQKSAIPBMR-AOMKIAJQSA-N 427.505 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359326934 NKEIUXWXASNGEW-QZTJIDSGSA-N 436.582 1.803 30 10 IDEE C[C@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@H](O)CN1C(=O)OCc1ccccc1 1440762732 OPGSVLXSUHCMLS-GBXCKJPGSA-N 449.511 1.764 30 10 IDEE C=CCNC(=O)CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1446846345 BXCXVIPZYBMQJS-QRQCRPRQSA-N 437.496 1.693 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2Cl)CC1 1449059304 IXVJDBJKTVPPAV-UHFFFAOYSA-N 440.935 1.998 30 10 IDEE N#Cc1cn(CCC(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c(=O)nc1O 1449767888 UVDFCFIEEFGEFD-AWEZNQCLSA-N 440.410 1.484 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2Cc3cccc(C#N)c3C2)c1 1461271466 XZCUDXKPMFXQOH-UHFFFAOYSA-N 440.525 1.801 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CCN(C)CC1 1462999390 SGMVGWHOBKQAPL-HDICACEKSA-N 433.574 1.654 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)s1 1463889296 SRJUAPAXFMHRPC-UHFFFAOYSA-N 443.572 1.443 30 10 IDEE C#CCn1cc(CNC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)cn1 1467726809 NFLKFBUPOBUAKL-UHFFFAOYSA-N 425.514 1.560 30 10 IDEE CC1(c2nnc(-c3cccnc3)o2)CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1470317219 CNIIERDDXPGQPT-UHFFFAOYSA-N 441.444 1.982 30 10 IDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3occc3COc3cccc(C#N)c3)C2)cc1=O 1472120942 HOEDZYJDXSFPFX-MRXNPFEDSA-N 435.440 1.538 30 10 IDEE C#CC1(O)CN(C(=O)c2cn(CC)c3cc(N4CCN(C)CC4)c(Cl)cc3c2=O)C1 1472247844 IENCHAYQCQBEIA-UHFFFAOYSA-N 428.920 1.247 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)cc1 1475261951 QYQAYKRMEXVQPY-IBGZPJMESA-N 430.592 1.866 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 1478220677 WYZQODAPJMAKKO-OAHLLOKOSA-N 436.431 1.614 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(CC)cc3)CC2)C1 1479313077 LURILYVITSHBKQ-PZJWPPBQSA-N 426.561 1.968 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H](C)C#N 1503286225 WGPUZSLLKBQASG-ZDUSSCGKSA-N 426.493 1.682 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN(C)C(C)C 1505080434 KDOWNDAEVRCQAN-TYPHKJRUSA-N 445.612 1.909 30 10 IDEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CCC1 1505120655 HROXYAIOZRGKPC-UHFFFAOYSA-N 431.518 1.533 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1505291244 OHBSUEQMBUXWCE-LZICOFPGSA-N 439.520 1.814 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1 1507563755 IVCFLXMXTPLCFP-UHFFFAOYSA-N 443.577 1.490 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507589798 ZZPZJGBFWMOLJR-QZTJIDSGSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1507635678 YNTIJORHLCCGON-FQEVSTJZSA-N 438.557 1.896 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1507638387 DYSHFALDDSBMOA-LJQANCHMSA-N 441.557 1.944 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1507710747 KFXBZGJFGHHZDE-OAQYLSRUSA-N 441.532 1.599 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nncn2C)CC1 1507720020 DFDCEAJSYXWEMK-UHFFFAOYSA-N 426.912 1.539 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(SCC)c2)CC1 1507723361 FUCUKQVIMCYDDM-QGZVFWFLSA-N 425.562 1.540 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1507820400 CHEKQDPGRVLTDJ-QZTJIDSGSA-N 440.614 1.355 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NC(C)C 1508041752 TUMFUOTUMZTBRP-UHFFFAOYSA-N 425.493 1.757 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508079479 XFMFJYBJZKNZRP-OAQYLSRUSA-N 426.477 1.287 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CCO1 1508374217 GNVMOSNFJVDTJX-HXUWFJFHSA-N 434.504 1.134 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1515953597 FAVHJSDAHMXNLJ-MRXNPFEDSA-N 439.568 1.941 30 10 IDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1524435416 GUWVQFWFNJWZQC-QGZVFWFLSA-N 435.546 1.675 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCCc1ccccc1)C2 1532963667 FXYOXXYPLWUNDW-VXKWHMMOSA-N 432.524 1.915 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1539445915 KJLLBMVZPPDAPL-DLBZAZTESA-N 445.568 1.288 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1539538390 GWPCJDUPFLDQQO-HBGVWJBISA-N 431.562 1.788 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1540071760 HSXMNRNBZPOGNY-TXPKVOOTSA-N 427.571 1.581 30 10 IDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540860340 DYDYFRKMLOGVEQ-UHFFFAOYSA-N 442.520 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(=O)NC 1540899876 DAGKMNHJJZGDMQ-UHFFFAOYSA-N 442.545 1.666 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1541726353 YASZYHFSLFBUMW-SJORKVTESA-N 448.421 1.439 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541800499 AZYFDJLKGUISAV-HUUCEWRRSA-N 446.533 1.694 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1547230370 PVHQYVCDBIZHFU-DYTRJAOYSA-N 443.552 1.671 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(C)(C)O)c1 1552880337 HFQNLQCIISRLGN-MRXNPFEDSA-N 448.549 1.085 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2CCCCCO)cc1 1555988587 IAHPARHSPVCTHN-HXUWFJFHSA-N 438.532 1.807 30 10 IDEE NC(=O)CCC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1556007692 ZSRPBJSGSJFRFD-XUTLUUPISA-N 441.536 1.554 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@@H]3CC3CCCCC3)CC2)o1 1559919361 GMXAIMVLYDKJAC-IBGZPJMESA-N 428.537 1.274 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1566182792 BZONGIDWUYXDFP-KRWDZBQOSA-N 445.582 1.192 30 10 IDEE C#C[C@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccc(Br)cc1 1583565634 KJMMWCAXWLYDER-INIZCTEOSA-N 440.305 1.989 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OCC)c1 1588138261 BHINOJKNGKYWNO-LJQANCHMSA-N 426.542 1.894 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOCC(F)(F)C(F)F)CC1 1588801197 YYFIZEJMYABQPH-UHFFFAOYSA-N 429.422 1.351 30 10 IDEE C#CCSCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1589124593 AJPUXICTWSQELU-QFIPXVFZSA-N 447.605 1.745 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593747332 UPILFXDNRCMHKR-YCRPNKLZSA-N 432.525 1.189 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1594625558 GYAJURNWYWLTFM-INIZCTEOSA-N 425.555 1.815 30 10 IDEE C=CCCOCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1594830295 VMILIRIDMLBZCN-GCJKJVERSA-N 435.569 1.968 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1595537023 LRLFESNRJQMRJS-UHFFFAOYSA-N 426.481 1.478 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC2(CCC2)C1 1595593453 DSCLWHXFRKGJDJ-UHFFFAOYSA-N 427.505 1.927 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595658974 OWWLTAOHALFHIS-IEBWSBKVSA-N 427.505 1.346 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612267254 SNDJSTKLMCBNGX-XDOYNYLZSA-N 436.516 1.989 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1617254122 CHABXFHTUURFPR-ZPHPHTNESA-N 448.549 1.085 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1617313212 FSEVBWBENIRTIF-QZTJIDSGSA-N 442.545 1.499 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1618350271 HPISEWWKDXRZMO-KRWDZBQOSA-N 439.545 1.757 30 10 IDEE COc1cccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1619373404 GLSHPVMJQUIQQQ-MAUKXSAKSA-N 428.493 1.621 30 10 IDEE COCCN(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1619870830 YAYXIZAZGOSRLA-FMQUCBEESA-N 428.468 1.617 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1620352905 AUQNVWHAXMRXEN-KRWDZBQOSA-N 430.534 1.412 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1620353743 SECPBSJAOXEZNA-RJCBAWPRSA-N 425.493 1.438 30 10 IDEE CCCCCN(C(=O)CN1CCO[C@@](C)(C#N)C1)c1c(O)nc(=O)n(CCCC)c1N 1620623142 MOUDIWXBXIGXSC-NRFANRHFSA-N 434.541 1.469 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCN(C)CC1 1626637844 WMCLZWWMDXMEHL-QGZVFWFLSA-N 448.545 1.552 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCc3c(OCC(N)=O)cccc32)cc1 1628054705 LOCKHTXLZNASGH-UHFFFAOYSA-N 429.498 1.608 30 10 IDEE Cn1cc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c2ncon2)cn1 1628632021 DZAQTWDTZCKPDL-SJCJKPOMSA-N 425.836 1.587 30 10 IDEE CN(CC(=O)Nc1ccccc1Br)C(=O)CCn1cc(C#N)c(O)nc1=O 1629518358 BIAOQABMFNNJLF-UHFFFAOYSA-N 434.250 1.070 30 10 IDEE N#C[C@@]1(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCc2ccccc2C1 1634340131 QHKXJBQNTUIHJN-AZUAARDMSA-N 433.917 1.547 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)cc1 1635074077 HZNOLTFVSLUUOL-QGZVFWFLSA-N 426.498 1.406 30 10 IDEE C=CC1(CC(=O)N[C@@H](C(=O)OCC)[C@H](O)c2cccnc2)CN(C(=O)OC(C)(C)C)C1 1635488169 QITFSASDVSFPAR-QZTJIDSGSA-N 433.505 1.976 30 10 IDEE N#Cc1cccc(C2(NC(=O)Cn3cc(Br)c(O)nc3=O)CCOCC2)c1 1640719645 QFURKXIKSBSMDK-UHFFFAOYSA-N 433.262 1.405 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)c1 1641638667 BHFFBTYHTPPKHB-UHFFFAOYSA-N 435.527 1.636 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3C[C@@H](N(C)C)C3)nnc12 1641696981 MFXMEXZDVRJZIO-GASCZTMLSA-N 426.546 1.779 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)n1ncc(C#N)c1N 1642520638 QYTMUDPUKAJBHD-ZDUSSCGKSA-N 426.296 1.743 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1646250253 CKQARSGMKBTHKW-UHFFFAOYSA-N 434.543 1.854 30 10 IDEE N#Cc1cn(C2CN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)C2)c(=O)nc1O 1653760527 XELGSNHAGMBRQZ-UHFFFAOYSA-N 435.484 1.075 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1653797451 AIZCLMOPVWDPOA-GUYCJALGSA-N 432.420 1.914 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 1655924146 BXRXXLIMXVDIIL-UHFFFAOYSA-N 425.459 1.225 30 10 IDEE Cc1ccccc1CN(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1656778847 MMDSGINXKDCVQH-UHFFFAOYSA-N 426.473 1.190 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CC1 1660087640 GSDUJQJEGNMIQC-UHFFFAOYSA-N 430.534 1.415 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCc3c(CC(N)=O)cccc3C2)C1 1681435194 TXWXGKYWBBMXKG-AEFFLSMTSA-N 427.505 1.541 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689991097 VSUDXONSURPIOT-WSTZPKSXSA-N 449.621 1.672 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1689992859 QBSAQZOWFMIPHL-GOSISDBHSA-N 431.562 1.706 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCC(=O)N(C)C)CC1 1690130965 QHZAHHRNVYUQKD-UHFFFAOYSA-N 438.576 1.696 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1690580548 AYZMUVNBJCBGNB-OALUTQOASA-N 441.580 1.001 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 1690677807 AZABUIBGNFUWAM-HXUWFJFHSA-N 446.596 1.761 30 10 IDEE CCc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694736287 XGJFUCZENQEDQV-MRCUWXFGSA-N 439.495 1.833 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1696731800 SAYAOJOTICHDDW-FBMGVBCBSA-N 446.462 1.687 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(OC)CCOC2)cc1 1697492780 CTTAUAMQGWVSRL-WIYYLYMNSA-N 429.477 1.400 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1705568897 XCCDCDMBULFNPQ-KRWDZBQOSA-N 431.562 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(C)COCCO2)CC1 1705647699 IJUHKSZBADSLFP-XMSQKQJNSA-N 431.537 1.291 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705649974 IXOLCFAWTAQECL-IBGZPJMESA-N 449.559 1.144 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1705668243 HJBAQEGFGOODAH-JXXFODFXSA-N 431.566 1.340 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC2CC2)CC1 1705769046 HLCUBKSKZNUZRQ-SFHVURJKSA-N 439.582 1.584 30 10 IDEE C=CCN(c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1705856206 KLJTXMQVFPMZBR-MRXNPFEDSA-N 427.596 1.663 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705938826 KITFFXLGVLLGHI-JKSUJKDBSA-N 446.595 1.134 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1706632561 BIDGYNRPACKYRZ-OAHLLOKOSA-N 432.550 1.601 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1706748245 HFEOBAYRNKFUCK-RHSMWYFYSA-N 430.534 1.614 30 10 IDEE COCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712125884 XHCOWDCBJTUAFP-UHFFFAOYSA-N 439.520 1.608 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCOC[C@@H]2OC)c1 1722307395 NBRBUXINURLLJU-ICSRJNTNSA-N 441.532 1.922 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722360886 CLDZELIPCIYBPR-LAUBAEHRSA-N 432.546 1.741 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccnc(OC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1722367613 WRWHTGHJDXKORF-GOSISDBHSA-N 429.546 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722383730 QQGMVRYLORIYRJ-VQTJNVASSA-N 426.565 1.188 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCC[C@H]1C 1722428410 YUXAWRVBGFSNPB-IERDGZPVSA-N 431.562 1.907 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1722554002 CTNKSHGWHFBHHN-CQSZACIVSA-N 443.982 1.988 30 10 IDEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1729885655 DVCQTRFTPCSRPW-BPQIPLTHSA-N 449.508 1.436 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1740618023 AWCSMXSGCZUGQC-QGZVFWFLSA-N 449.964 1.704 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740624558 IBXCVUHVKSGNRX-RBUKOAKNSA-N 429.546 1.316 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1740644353 CMPGRPJPDAPQRH-IXFSTUDKSA-N 445.564 1.909 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1740671252 CBSOCOFDVBGHOS-HNNXBMFYSA-N 430.513 1.223 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCNS(C)(=O)=O 1740678529 DVKPLUFCJKMGBX-UHFFFAOYSA-N 442.520 1.592 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@H]1CCCC[C@H]1C 1740685530 HZLVDDTVTUYKBO-QRVBRYPASA-N 438.594 1.862 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCNS(=O)(=O)CC)CC1 1740696866 IYULEMGLFYOCAB-UHFFFAOYSA-N 444.605 1.262 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCOCC2)CC1 1740699404 FNFMQDNUDKONJP-UHFFFAOYSA-N 428.562 1.451 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 1740791893 AZSIQUQAQBUUJI-KSZLIROESA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740954808 RYYXJMDMONXGDO-GOSISDBHSA-N 449.559 1.808 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCOCC2)C1 1740970530 NIUTUWQFFVPXBZ-VQTJNVASSA-N 446.596 1.652 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(O)cc2C1 1740990548 VQHARJGOPSSEJJ-UHFFFAOYSA-N 428.518 1.548 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](F)COC)c2ccccc2c1=O 1746472933 LNRODTZAAHFQAJ-GJZGRUSLSA-N 441.467 1.388 30 10 IDEE CCOC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1746591338 FBGJPCGWQWDCOY-UHFFFAOYSA-N 440.552 1.825 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749676774 CWTVTNNMHNCRRV-ZWKOTPCHSA-N 425.489 1.870 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCN2CCOCC2)n1Cc1ccc(C#N)o1 1750128415 SHKYXBDSCRASOX-LPHOPBHVSA-N 430.509 1.283 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@](C)(O)C(C)C 1750965069 CGSMEQKKPFLCOW-QFIPXVFZSA-N 440.552 1.417 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)c1cc[nH]n1 1760199448 ZBDPZXZFWZDYSH-UHFFFAOYSA-N 425.855 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCCN(CC)S(C)(=O)=O 1760216161 CLTMWOZWWOXNEW-UHFFFAOYSA-N 428.562 1.783 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1760255030 TURWHXFWDHWQAC-GAJHUEQPSA-N 441.532 1.257 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCC(F)F)CC1 1760262120 UNWOOFHRRQWBKM-GOSISDBHSA-N 433.459 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(=O)NCCc2ccccc2)CC1 1760264989 JWTDJOPSQKNWBD-UHFFFAOYSA-N 436.560 1.726 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1760347499 DPLIRGFYVHCNCQ-INIZCTEOSA-N 434.541 1.707 30 10 IDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1760411872 RSNQMCBBKUYDAZ-MRXNPFEDSA-N 444.536 1.949 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1760482799 QXBXYEKGJVKLHU-JOCHJYFZSA-N 430.528 1.815 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](COc2ccccc2)C1 1760525482 HMWQFQJMJFQNDN-NRFANRHFSA-N 448.527 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1 1760556929 ULZDAPVZNKEROE-UHFFFAOYSA-N 432.594 1.785 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760850913 HSLUVEFQSDEBRK-LVZFUZTISA-N 429.525 1.280 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C2CC2)O1 1763081487 HTINPWHMEOWLKS-KXBFYZLASA-N 444.561 1.760 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CC[C@](F)(C#N)C1 1766940482 NZFNOHJOKGBLFR-UZLBHIALSA-N 448.524 1.870 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1767421022 KOGLWCIHAIVMQU-QGZVFWFLSA-N 439.545 1.757 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1768782593 DZEWGIUBXFQWAX-GOSISDBHSA-N 432.550 1.713 30 10 IDEE COc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1768951034 AVBXOUNGIVGKJO-QAPCUYQASA-N 448.549 1.406 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CC2)n1 1769006275 YADFQLWOKSARFE-KRWDZBQOSA-N 447.547 1.892 30 10 IDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 1853019794 UDCGIFMYFSWRCY-OALUTQOASA-N 427.505 1.681 30 10 IDEE CC(C)(C)c1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 1853471675 QQCXAKZNTNCBST-IBGZPJMESA-N 430.549 1.861 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1854288015 ZRIPALKIZPDNGK-HKUYNNGSSA-N 432.546 1.450 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC(C)C)CC3)OC2=O)CC1=O 1855148938 HBNYXOVTTNRUJM-IRXDYDNUSA-N 441.550 1.066 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 1869930361 YKDQPYFZABTZED-LJQANCHMSA-N 426.542 1.848 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 1870142545 GJDNOBLUCSJORT-LBPRGKRZSA-N 446.423 1.779 30 10 IDEE C#CCOC1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)OC)cc2)C1 1892176187 JKDARCIJNJPFRH-SFHVURJKSA-N 435.502 1.269 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2225622242 IQTHPOXHANWLLC-GBESFXJTSA-N 448.369 1.417 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCCOCc1ccccc1 2255750476 KKSCBEHGVMDQOZ-UHFFFAOYSA-N 449.382 1.995 30 10 IDEE Cn1cc(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255827932 OWJKDUNZUGLNET-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2256731379 PYNFQDVZDILOST-UHFFFAOYSA-N 433.314 1.738 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267114740 CKTJBPPARPAHMW-KBPBESRZSA-N 447.345 1.196 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267574640 YMSWINSFSPFMOL-UKRRQHHQSA-N 448.329 1.045 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268629271 UKGIIWWFRHKZIM-HUUCEWRRSA-N 447.341 1.937 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2301662874 SZZRDKCRDXKCBV-LBPRGKRZSA-N 441.359 1.712 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)cn1 59830103 GJSXUGXPWORTMC-AWQFTUOYSA-N 427.494 1.560 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)NCc2ccccc2)n[nH]1 59888187 YCUQPLALFNCTKU-LPYMAVHISA-N 442.549 1.855 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 70897027 QLSYOPOBQWKZDE-UHFFFAOYSA-N 426.408 1.972 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 102746400 WZOZDLNFHXZSTM-LAFOYAEKSA-N 425.489 1.566 30 10 IDEE CC(=O)OCC(=O)[C@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 136812594 IQFJTDLERMTRLJ-VKRYSMLESA-N 436.476 1.191 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)Cc1ccc(C#N)cc1F 431622504 PGHANFIBZCTBBB-UHFFFAOYSA-N 427.479 1.185 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 438948153 MIEIRKPVMYKPSX-QHSBEEBCSA-N 446.403 1.691 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccccc3Cn3ccnc3)C2=O)cc1 443198609 CIVVZJWHLIYSMB-FQEVSTJZSA-N 435.509 1.882 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)o1 471189888 FHNUCVWHQQDXIX-UHFFFAOYSA-N 430.489 1.708 30 10 IDEE C=CCNC(=O)CNC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 474458930 VVFCFDJYCYFGNX-AEFFLSMTSA-N 430.505 1.272 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 478844096 JLVJZZAUKXYGAY-INIZCTEOSA-N 431.473 1.862 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)CC1 506924661 YNHGTBPRZSOJON-UHFFFAOYSA-N 438.506 1.081 30 10 IDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508886396 AGUOPRDKFVXDJQ-UHFFFAOYSA-N 446.577 1.062 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 518595819 NCZWCCGVPMEOIY-AWEZNQCLSA-N 433.480 1.395 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3nccc4sccc34)CC2)c1 519615200 RQJXXNSLGYWRHD-UHFFFAOYSA-N 441.538 1.795 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(F)c2I)CC1 534011132 DAWFGTYDVSLIHF-UHFFFAOYSA-N 446.264 1.882 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3C[C@H]3CCCO3)CC2)c1C#N 549855250 PXAFFENAQKDTTP-QGZVFWFLSA-N 433.520 1.759 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H]2CCCCO2)cn1 550011745 IYXCUGFFZBKKEU-IBGZPJMESA-N 433.520 1.841 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCOC3)CC2)c1 555485804 HZOCCVARAJDRCH-IBGZPJMESA-N 430.516 1.894 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 562337516 DAUMRYIDFXGHHB-UHFFFAOYSA-N 428.539 1.114 30 10 IDEE CN(C)C(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 610059307 OQCQUFTWXBSCCQ-UHFFFAOYSA-N 441.513 1.798 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 733149843 UMJOGJXIYBEHJB-UHFFFAOYSA-N 432.571 1.920 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)c1 735069087 PLKTVGUCESZOKJ-UHFFFAOYSA-N 448.541 1.274 30 10 IDEE C[C@H](c1ccccc1)S(=O)(=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 737348910 QKRVWTXTWZHSFD-KDOFPFPSSA-N 440.481 1.970 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccccc1C#N 743726562 QVSGZPALDUGVKV-UHFFFAOYSA-N 433.518 1.341 30 10 IDEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc12 744007734 RFOOECURETUCMP-GFCCVEGCSA-N 445.526 1.579 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1 747763280 LFRMSGDIFCYEKU-CYBMUJFWSA-N 440.474 1.385 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 754772853 LWAWSNNMAMBDTR-IHWYPQMZSA-N 449.286 1.594 30 10 IDEE O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CCO 757470362 GZDJQNSEVNSZLN-NRFANRHFSA-N 436.464 1.870 30 10 IDEE CC[C@@H](CO)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 759631916 MSVNCWJGWVSWQT-KRWDZBQOSA-N 436.578 1.201 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@H]1CCCO1 772899413 IDEXZGJDBJLVNO-GOSISDBHSA-N 448.548 1.666 30 10 IDEE COC(=O)c1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(Br)c1 785851696 GHYMLHQILQHJAG-MSUUIHNZSA-N 436.262 1.768 30 10 IDEE COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 792228227 IEBCWRGZXKZAGK-PFONDFGASA-N 427.244 1.583 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H]2CCOC2)CCN1C1CC1 802759343 JJRKXHGUHMWLQX-NVXWUHKLSA-N 446.515 1.807 30 10 IDEE C=CCOC(=O)N1CCC(OC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 805939559 JUGIKRDOVBEOBB-UHFFFAOYSA-N 436.530 1.861 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2c3c(nn2C)CCCC3)C1=O 812221421 LIZAGYOLVROLBN-FOFUNRBPSA-N 440.573 1.873 30 10 IDEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 917063977 YQIVTJWFKOLWJG-MRXNPFEDSA-N 442.545 1.093 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)Nc3ccccn3)n2N)cc1 1084633658 MAQBIFNODKEHBP-UHFFFAOYSA-N 440.489 1.740 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1147283653 NSZWUVAWLDVJDK-QGZVFWFLSA-N 434.518 1.163 30 10 IDEE Cn1nc(C2CCOCC2)cc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1170182584 UGZNWJZPCCJKND-UHFFFAOYSA-N 431.518 1.772 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cn3)c2)CC1 1175514633 BSHLDWQNKSWHFL-UHFFFAOYSA-N 434.905 1.753 30 10 IDEE C[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1181001793 XIWSNZBQDQLHJA-AWEZNQCLSA-N 445.520 1.877 30 10 IDEE C#CCN(C(=O)NCc1cn(C)c(=O)nc1O)[C@@H]1CCOc2ccc(Br)cc21 1251695447 DVLUXHIUZFIBFV-OAHLLOKOSA-N 447.289 1.917 30 10 IDEE CN(CCOCCNC(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)OC(C)(C)C 1253268771 MSQBMVFMLRCJEV-UHFFFAOYSA-N 432.525 1.668 30 10 IDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1254349544 LWTRPVAGSBGDEX-IIMJZQEZSA-N 440.566 1.602 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1254416919 XENPMDNMVPFIOE-CTNGQTDRSA-N 449.559 1.778 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)ccc1C#N 1264348026 PRXZNGJPPMSHOG-UHFFFAOYSA-N 427.482 1.916 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ncn(C)n2)c1 1286310951 IGZYROIWMCRKMH-QGZVFWFLSA-N 434.504 1.405 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286323732 LUPDUNFUUIZXKU-HNNXBMFYSA-N 433.534 1.823 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 1286385889 QOQZXMQGIBJMPE-QGZVFWFLSA-N 435.594 1.067 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1286393991 NDXMUQXWIVKAFC-IBGZPJMESA-N 439.545 1.096 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCc2nccn2C1 1286459763 PSHVZELYTVSBGT-PGRDOPGGSA-N 428.537 1.475 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOCCC(C)C)CC1 1286490887 WAHGZNDETOVXIF-UHFFFAOYSA-N 425.537 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnnn2C)CC1 1286495253 YCSMJLZAEYSRIF-UHFFFAOYSA-N 448.531 1.042 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1286517979 XJTYLLNRRDOYGD-MGPUTAFESA-N 432.550 1.722 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286558931 SASRDESPYFOOGA-RQGSJKACSA-N 430.597 1.811 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286729549 UIGYWBGOPOUMIU-QGZVFWFLSA-N 425.537 1.691 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1286808668 DNXOVQHABLLHBS-VQTJNVASSA-N 432.613 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCNC(=O)CC1 1286818170 CONYRSDDEGFRSS-UHFFFAOYSA-N 428.518 1.354 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286821285 GFKUCDRIDUEYCB-ZWOKBUDYSA-N 426.583 1.850 30 10 IDEE C=C(C)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1287779735 YMRARBJSXALTTM-AWEZNQCLSA-N 433.324 1.694 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1288145524 NXFDOHFYAYAWCF-KRWDZBQOSA-N 432.523 1.274 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1288982121 PZFGBKZNSBCKFV-MOPGFXCFSA-N 435.575 1.610 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2N(C(=O)OCc3ccccc3)CC2(C)C)CC1 1292889990 SDIMUZCZOSLOBB-OAQYLSRUSA-N 440.544 1.317 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC[C@H]1CCCO1 1293113334 FLHOGTXIIBSUQN-QZTJIDSGSA-N 440.552 1.803 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1295336212 OBLMUUSNRKPAQL-UHFFFAOYSA-N 436.520 1.777 30 10 IDEE COC1([C@@H](C)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1299524129 NRJZVEIRJXOPHY-MRXNPFEDSA-N 437.562 1.986 30 10 IDEE NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1299570990 OMIAUNUOUQEAFD-WKILWMFISA-N 434.562 1.693 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1300487417 JFUZEFAZSAWLLY-AWEZNQCLSA-N 425.461 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1300726203 IORGBMMPFLTDFD-GOSISDBHSA-N 425.537 1.207 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC[C@@H]1C 1300805048 WKYDZKBKDUFIMP-YJBOKZPZSA-N 432.550 1.569 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300888162 IKWFXRIROUHPSU-KNQAVFIVSA-N 430.597 1.956 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300979893 HVSQZMRKAVENMY-IBGZPJMESA-N 449.515 1.882 30 10 IDEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1301154603 WBAMGKASDSMWND-UHFFFAOYSA-N 435.598 1.996 30 10 IDEE COCc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1301167255 HHFYWOVIAFFEDY-SFHVURJKSA-N 433.472 1.849 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301216846 TZWQLLHVMONFIV-IBGZPJMESA-N 426.569 1.868 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1301223445 VPGKNEWVWWAGHH-KRWDZBQOSA-N 437.570 1.256 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1301520285 WARKPWCLAWFVJZ-WTOYTKOKSA-N 449.552 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OCC)CC1 1301578603 GAPUBORUZJPXQQ-UHFFFAOYSA-N 434.522 1.219 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1301817857 HGZXYHZGQSTMFC-MOPGFXCFSA-N 435.532 1.836 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1301849791 FEUTVIZTGCTBTR-QFIPXVFZSA-N 434.504 1.410 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1302494024 FIHFQSXNRLWNQV-LJQANCHMSA-N 431.497 1.808 30 10 IDEE N#Cc1cn(CC(=O)NCc2cc(C(F)(F)F)ccc2Br)c(=O)nc1O 1303506237 PJPHWHPXQARVGO-UHFFFAOYSA-N 431.168 1.918 30 10 IDEE CCOC(=O)C1(CC(F)F)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1308152649 IVBRWHFIMQZMIL-KRWDZBQOSA-N 428.524 1.979 30 10 IDEE C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C(=O)N1c1cnn(C)c1 1309249462 IAXRBSUHMAYIGT-IINYFYTJSA-N 438.307 1.527 30 10 IDEE CSc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1C#N 1313291382 KKXGVZLAINOMAI-UHFFFAOYSA-N 435.531 1.625 30 10 IDEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1314934027 ADLKEXITEMEBIY-GOSISDBHSA-N 440.533 1.397 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 1337676719 CXTYJMWVNIVJRA-GFCCVEGCSA-N 425.230 1.684 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1358885903 TYOWCURVFMYEOD-WAIKUNEKSA-N 436.516 1.938 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1358959076 BBDNXKJJSKQBNW-KRWDZBQOSA-N 425.518 1.241 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358961000 PYVPFGOKDKFTHR-AEFFLSMTSA-N 431.562 1.725 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1358961754 DUFKYPBMVHRWHE-FPQWYMTMSA-N 449.577 1.061 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N2CCOCC2)CC1 1359032450 OORSZCQBLQDGFV-UHFFFAOYSA-N 446.914 1.352 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1359299830 OAJXUDPAJHVGSL-PMACEKPBSA-N 447.543 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCC)C1 1359334530 JBTDHACZMKPRJN-GOSISDBHSA-N 436.582 1.746 30 10 IDEE COc1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(OC)c1 1438185384 DBIMISPSEVWNKA-UHFFFAOYSA-N 444.513 1.091 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC#C[C@H]1CCCCO1 1457035950 YWFSYVSLWBWYEG-QZTJIDSGSA-N 440.949 1.562 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 1464616273 GAPVGCHBMFRVBO-UHFFFAOYSA-N 427.324 1.749 30 10 IDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478900601 CFNKZSDBZXLLMV-RBBKRZOGSA-N 430.549 1.578 30 10 IDEE CCOCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1503029624 HIBGNQRUNCLXBL-SFJAUFLASA-N 431.541 1.260 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1507534492 UBGIQXKEHPASBS-YOEHRIQHSA-N 433.516 1.565 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1507604491 DIZDYBKBWULSOE-UHFFFAOYSA-N 432.488 1.275 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)noc1C 1507606164 BYZZWSNMVYZLCD-UHFFFAOYSA-N 428.518 1.918 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507695205 VUZUZJQSZVVSIO-GOSISDBHSA-N 442.545 1.470 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1Cl 1507703012 PLIQTSAQKINYJF-ZDUSSCGKSA-N 443.932 1.815 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1507798268 GTVRQTUJRSIZDH-UEXGIBASSA-N 444.580 1.905 30 10 IDEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1)c1ccccc1 1507924098 IQMJNGOMOXSYID-LULLPPNCSA-N 447.561 1.810 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507966618 UTGTZRKGMASODR-XMSQKQJNSA-N 448.568 1.467 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508079518 YDGFOEKQDPLCTM-OAQYLSRUSA-N 429.546 1.571 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508098797 RWABDDSCMYWINB-FUHWJXTLSA-N 432.569 1.809 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508847168 CLQORJVWTDRWCD-VGOFRKELSA-N 438.536 1.229 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1529684801 UZPVYYJUCPMSHA-QGZVFWFLSA-N 435.521 1.554 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N[C@@](C)(C#N)CN(C)C)c12 1531927788 AMBVZRFBZMPVRC-VFNWGFHPSA-N 444.561 1.550 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1535115987 DPGSENDSKUHCJP-OAHLLOKOSA-N 432.454 1.533 30 10 IDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)Nc2nc3n(c2C#N)CCOC3)C1=O 1537679419 MWBOTKUACCCFEP-LJQANCHMSA-N 446.826 1.483 30 10 IDEE N#CCCn1ncc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)c1-c1ccccc1 1537757185 YLKLRSBOZRSQHJ-UHFFFAOYSA-N 444.495 1.626 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1538972587 KTGCFCAEIBXQJB-KKUMJFAQSA-N 442.586 1.650 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1539013699 JMOFDSUQDBKFDM-HZPDHXFCSA-N 425.555 1.028 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1539016608 ZEWWCVDSKCMFMB-HNNXBMFYSA-N 439.582 1.895 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2COCCO2)c1 1539042533 HPPRMAOOMKWKCH-PKOBYXMFSA-N 425.489 1.254 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539215349 AKLUXIXCEWVMGV-IBGZPJMESA-N 436.541 1.913 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1nnc2n1CCCCC2 1539416332 LZSZYMUMEGXTOC-GOSISDBHSA-N 427.553 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCSCC2)CC1 1539480519 AVUSVICHXJEJNW-IBGZPJMESA-N 446.621 1.187 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[S@](=O)C(C)(C)C)CC1 1539489812 NZYRDXUQRLJVHJ-ZQHDKMAOSA-N 435.594 1.643 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1540167695 CRJWAHOUXUEQRS-QGZVFWFLSA-N 430.534 1.298 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 1544337674 XAEGZPZSTQHFDB-QGZVFWFLSA-N 436.306 1.605 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1546725882 IPPHGFOHNIUNCR-YJBOKZPZSA-N 432.550 1.760 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccsc1 1554510776 HJIJYIPFBOPDTI-UHFFFAOYSA-N 446.558 1.976 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CN(C)C1=O 1555544369 COQQJUYXQCBYCB-QHCPKHFHSA-N 448.531 1.682 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H](CO)C(=O)OCc2ccccc2)CC1 1556069687 WQGUPUBAIFPKSJ-LJQANCHMSA-N 430.501 1.857 30 10 IDEE CN1CC[C@@H](N2CCC(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O 1556527484 ZZSJOAIYNKOWIF-LJQANCHMSA-N 432.565 1.448 30 10 IDEE O=C(CN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1)Nc1ccccc1F 1559719956 CPRIWFHIHQCYJQ-UHFFFAOYSA-N 434.471 1.681 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1561802940 BFNUMWHOOKCPFQ-UHFFFAOYSA-N 433.555 1.576 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C3CCOCC3)C3(CO)CCC3)C2=O)cc1 1564690796 YDHIZFJLEXPDDO-NHCUHLMSSA-N 440.544 1.916 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N3CCCC3)CC2)c(Cl)c1 1565404644 DUSMJZVTETUNCI-UHFFFAOYSA-N 425.942 1.469 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(S(C)(=O)=O)CCCCC1 1584701786 DJDGQXIDXHSXEM-CQSZACIVSA-N 427.548 1.089 30 10 IDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1587842508 RPXPBWICCPLTPN-UHFFFAOYSA-N 441.517 1.394 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588028946 AWJWWHQOMZCGGN-LJQANCHMSA-N 443.573 1.676 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1588064615 LLONCMPKXALOCC-KRWDZBQOSA-N 430.530 1.620 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nnc(C(C)(C)C)s1 1588672204 BVUQFFABBJGKDL-UHFFFAOYSA-N 431.566 1.684 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(-c3ccco3)n2)CC1 1588733284 QMCDBUHCOANWCH-UHFFFAOYSA-N 439.545 1.936 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C(C)C)N2CCCC2)CC1 1588968341 IVHBSKWOBIHNNM-HXUWFJFHSA-N 430.597 1.901 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1594024391 VRVOUOYINOLMAL-QFIPXVFZSA-N 433.553 1.757 30 10 IDEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1594545998 WKBXDGWAAPXDHL-UYAOXDASSA-N 435.532 1.990 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1594732469 DTLPANUAAZJWHY-QZTJIDSGSA-N 437.610 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1595804954 JDJPNVVZZBGOTO-CQSZACIVSA-N 437.472 1.477 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1603097930 UGVVOLYSLDUWFQ-IDYLYPCZSA-N 439.520 1.671 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1612144355 FSPYBRRHQGPEES-QGZVFWFLSA-N 431.518 1.472 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1COCCO1 1613588420 IKOWHRNCCUTSBY-MOPGFXCFSA-N 445.568 1.179 30 10 IDEE CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)o1 1613860203 GFKGLICGKRSJJC-AWEZNQCLSA-N 435.554 1.926 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CCCN(C(=O)CCOc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1616328651 LMTNZVWVGFXVJP-NPPFBWRTSA-N 445.541 1.091 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1617690128 XRCSTWTYEUCQEO-DEOSSOPVSA-N 447.576 1.907 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1618879065 FKESSEIWMGQDQJ-DVSFIDLUSA-N 442.520 1.537 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)CC1 1622915586 ZRLNZOLBNGUIPJ-KRWDZBQOSA-N 447.561 1.318 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)C1 1627794893 BESYFKKKEULFLV-OAQYLSRUSA-N 434.496 1.979 30 10 IDEE COc1nc(N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)ncc1Br 1629296398 RGHHGAPOZCSDQF-UHFFFAOYSA-N 431.290 1.554 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 1630016569 JQWLJOGGRZDRNA-DOOHWEDMSA-N 448.545 1.741 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 1631272742 XFEZCYABOPFPFN-AWEZNQCLSA-N 443.344 1.876 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(Br)cc1I 1637460694 XALPDZJHHONDAS-SECBINFHSA-N 425.020 1.774 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1638656454 NZYFPTXWZMHRRZ-QGZVFWFLSA-N 442.965 1.803 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC#C[C@@H]2CCCCO2)cc1 1640380141 CAFCKYQVMFWIGK-DYXWJJEUSA-N 434.558 1.623 30 10 IDEE N#Cc1cn(CC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)c(=O)nc1O 1640462938 DKUIFBQHCSPTGZ-UHFFFAOYSA-N 447.249 1.102 30 10 IDEE COCCN(CC#N)C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1642102794 CDMLOQQMOPRGIC-KRWDZBQOSA-N 443.529 1.721 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1 1642854145 SOYZFIKGMAHJBY-RBUKOAKNSA-N 426.498 1.220 30 10 IDEE Cc1cc(C(=O)NCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1[N+](=O)[O-] 1642899944 FVLZIWONTWLHAJ-UHFFFAOYSA-N 425.420 1.993 30 10 IDEE CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)s1 1648790216 AWVZLLBBHSHXHL-UHFFFAOYSA-N 431.474 1.950 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1650972864 XGQCRNBUALDGIQ-KRWDZBQOSA-N 432.498 1.951 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1664079804 ASCUNCNYZMBLIM-LJQANCHMSA-N 434.539 1.669 30 10 IDEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1675700647 FAGNGXSUDHEEKN-OAHLLOKOSA-N 428.518 1.454 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1682201004 WKKSZTKGXLLSFV-SFHVURJKSA-N 426.498 1.625 30 10 IDEE CSc1ccc(CNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1C#N 1687595110 UJEJYRMOZNKLPI-CQSZACIVSA-N 425.557 1.976 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689989092 BDXFSSMZDNDNLE-AABGKKOBSA-N 444.557 1.796 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689997235 YEPIWPOVBVBXOW-GOSISDBHSA-N 448.593 1.318 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCC1 1690013077 APVKRQBBPAFPRX-UHFFFAOYSA-N 429.528 1.749 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(OCCN(C)C)c2)CC1 1690148822 WBVHDPYCTNOAPD-UHFFFAOYSA-N 438.576 1.795 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690247669 DINFTTFUMOIQAI-LMMKCTJWSA-N 425.599 1.930 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690316022 TWHRHQQHUVVQCX-UHFFFAOYSA-N 434.566 1.375 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690677070 MAWTXHNMNAPFRQ-UHFFFAOYSA-N 435.916 1.608 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1C(C)(C)C 1690677340 UYSSZCMTDDHLSI-CQSZACIVSA-N 434.566 1.723 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1692526802 ZKBPYVBEEZXFSI-YWZLYKJASA-N 430.488 1.259 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCSC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1692546286 CWERMZBVJPAONX-BMRADRMJSA-N 447.565 1.275 30 10 IDEE Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1693510278 UVYONZQPDDDFRP-SIUCFOQUSA-N 435.532 1.824 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CC1 1695866926 BQRIWUDEKJVUAO-SFHVURJKSA-N 441.605 1.411 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1F 1698445070 DYJVTDGTJZTUOA-PBHICJAKSA-N 433.509 1.551 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705571953 MIGFIJCSLKMSGI-RBUKOAKNSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1705573311 DOSDTAVJAKHOKY-ICSRJNTNSA-N 442.589 1.572 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705741369 NTCQBULFMKZWFK-OZIGNCPNSA-N 436.553 1.979 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 1705786477 OWJXSTPFLAGDJY-LSDHHAIUSA-N 426.587 1.582 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705805715 MWDVHKGUHBPSGF-ROUUACIJSA-N 434.566 1.638 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705906353 BCTMHGCSLPPVML-KRWDZBQOSA-N 440.504 1.417 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)nn(C)c2OC)C1 1705929366 PHWINFACLOACTJ-MRXNPFEDSA-N 443.552 1.535 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccc(O)cc1 1706609469 YIXFUSXMQHQCKO-UHFFFAOYSA-N 447.499 1.900 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)CC(=O)N1C 1708182838 QUBFRZMPBFQALN-PKOBYXMFSA-N 438.532 1.927 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](F)COC)CCN2C1=O 1710172866 HWRTXUILKLYIGC-SJORKVTESA-N 441.467 1.274 30 10 IDEE CCN1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1710225770 CQBRLVOAFIFNGO-BJLQDIEVSA-N 431.585 1.520 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCCC1 1710734400 BJFBLISZZCEDMO-SFHVURJKSA-N 439.568 1.677 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1C 1711312577 GIOKTSWDJYNDMB-OAHLLOKOSA-N 436.520 1.637 30 10 IDEE COC[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712144266 JVGHWWQMIUTCQX-CQSZACIVSA-N 425.493 1.218 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCn2cncn2)c1 1722309739 PBUDBIJBNDNKBY-IBGZPJMESA-N 434.504 1.868 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccccc1 1722427983 AKTYIFCGMYDEOW-OALUTQOASA-N 432.546 1.654 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1722438247 OWQVHIYNCFFZFS-UHFFFAOYSA-N 440.552 1.301 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCOC[C@H]2C)CC1 1722440883 DDNLJENEWKNPTD-LJQANCHMSA-N 442.539 1.472 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1722482606 BZGXEGKORWZDMJ-NSHDSACASA-N 437.264 1.822 30 10 IDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722549646 VHNVGKFDZFMQIU-UHFFFAOYSA-N 431.928 1.307 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722701892 AANSFALVVGLBTO-HUUCEWRRSA-N 431.497 1.516 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](c2ccnn2C)C1 1722703190 WDVQPDZWOJJINA-ZWOKBUDYSA-N 443.552 1.422 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1730872148 CGNWDLDENYFHQR-IEBWSBKVSA-N 441.536 1.774 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1740538238 KWNHEICQXYJNCP-GAJHUEQPSA-N 441.532 1.827 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1740551794 LXEWLAAYGCBNLB-ILZDJORESA-N 445.589 1.950 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740618482 ILHOFEMZRWEPEW-GOSISDBHSA-N 429.546 1.270 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740628212 WHDIOMRWAJJCQU-IXDOHACOSA-N 438.619 1.940 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1740698328 DHBDMDBDVPXLBP-RBBKRZOGSA-N 425.581 1.956 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1740900374 PRDKYXAYSUXCDI-QGZVFWFLSA-N 428.603 1.352 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1740946537 YANUHMWSIVVRSP-KRWDZBQOSA-N 428.468 1.282 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740952114 VIMHFYZWAJDUJD-GXTWGEPZSA-N 446.524 1.062 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)C1 1740980802 MXQDDLHHJZDVBU-UMWAFNGASA-N 444.623 1.509 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1740994137 MWYXYORJAFLZFT-QGZVFWFLSA-N 445.545 1.945 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1742905237 BXXXXMUHSRYFBQ-DHMKHTPVSA-N 426.546 1.785 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1743384491 ONKUHECGNGCRJW-NYHFZMIOSA-N 426.521 1.708 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1747852776 KOTQEDLSLJVNTE-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1748638208 KSUCHGWQJBEBMD-INIZCTEOSA-N 449.490 1.881 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cnn(C)c1 1748689596 DRVXNMANLYKFQO-GNBUJSLZSA-N 427.553 1.863 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1748810501 XDGWRNMVGFYFIW-QGZVFWFLSA-N 449.483 1.725 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cc(C)no2)CC1 1749658784 OZYZLMFYCZXHND-UHFFFAOYSA-N 425.493 1.767 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@H](C)C1 1749721557 NLLYEDIWLCLTOJ-HUUCEWRRSA-N 427.571 1.411 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1760135101 IWTYNGKBKJWRCZ-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1760201751 ZJZWTFLJJGGWEP-UHFFFAOYSA-N 438.557 1.837 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1760219244 YJJHACYHEZNMSI-KRWDZBQOSA-N 442.589 1.550 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCOCC1 1760244932 LUFNBLFCRJRTEY-QGZVFWFLSA-N 428.493 1.660 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760284676 QWUMTHDPZHCXJM-KRWDZBQOSA-N 448.618 1.396 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1760549374 CXKOMQRIUHKOJY-ZJSXRUAMSA-N 441.576 1.920 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccn(CC)c2=O)C1 1760550411 YBJOOWXOMPDQEK-GOSISDBHSA-N 426.521 1.412 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccoc1 1760554072 QMUJOSCLQAKQGW-UHFFFAOYSA-N 433.490 1.836 30 10 IDEE CC[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762444958 VHVKCRZCNMNERV-XKONBMNXSA-N 441.536 1.667 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1CC 1763221956 HEHNDPAFAUMCLN-QGZVFWFLSA-N 435.492 1.103 30 10 IDEE CCn1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)c1=O 1765340447 FQQWGYVRMRAYSU-IBGZPJMESA-N 431.500 1.967 30 10 IDEE CCCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1766251811 CMYMGEDZJYHWQG-HSZRJFAPSA-N 448.531 1.848 30 10 IDEE CN(OC1CCCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1767438061 CVLYAORDGQTVBL-UFOSLELVSA-N 429.481 1.066 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1769251304 CXZXHEFBXKRTFJ-MOPGFXCFSA-N 426.521 1.642 30 10 IDEE COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769543473 VIEMEOVHEZNGBO-SELNLUPBSA-N 440.548 1.947 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCN(C)C1 1771100088 GIKZLZUDNFWALK-DEOSSOPVSA-N 447.543 1.931 30 10 IDEE Cn1nncc1CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCN(c2nccn(C)c2=O)C1 1853501226 ANJCEQSQCCVUBG-GOSISDBHSA-N 432.488 1.092 30 10 IDEE C=CCN([C@H]1CCN(C(=O)c2cc(F)c(F)c(OC)c2F)C1=O)[C@@H]1CCN(C)C1=O 1854176549 XUKQFPFHOKQJCP-KGLIPLIRSA-N 425.407 1.572 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCOCC2)C(=O)C12CCCC2 1856282059 OKGYHVFQPQCULY-UHFFFAOYSA-N 431.514 1.657 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)C1(C)C 1856390321 XCGWJNXXTSRFRG-INIZCTEOSA-N 437.537 1.862 30 10 IDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@H]2OCCc3ccccc32)c2ccccc21 1856894248 DNERDHNUEVPMNX-FQEVSTJZSA-N 425.466 1.924 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12)[C@H]1CCS(=O)(=O)C1 1858242267 VGCOBLHKMCLCBM-INIZCTEOSA-N 437.481 1.717 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2c1 1866104590 WEPGEKCMJWCMLL-ZDUSSCGKSA-N 437.547 1.190 30 10 IDEE N#Cc1ccccc1NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1866586177 GLNNVEBDRFHJOY-OXQOHEQNSA-N 441.509 1.755 30 10 IDEE C[C@H]1CN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)C[C@@H](C)O1 1869951552 WBENYRLKTUUABM-VBQJREDUSA-N 444.517 1.375 30 10 IDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870354986 IHZDJIISSIOFCE-UHFFFAOYSA-N 440.544 1.234 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCN(C)C 1870546268 MOYMGLQCDLJGMK-HXUWFJFHSA-N 432.565 1.258 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)cc1CN1CC(O)C1 1870702682 ADXLCSMJQBFCNV-UHFFFAOYSA-N 433.892 1.890 30 10 IDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562354 ZBTVOSBZRYSBON-UHFFFAOYSA-N 425.581 1.925 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)CC1 1889403716 DYQAAMYZFQKHQU-UHFFFAOYSA-N 438.572 1.685 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987542679 MWOBJNLZHBFJDH-BZUAXINKSA-N 425.526 1.780 30 10 IDEE Cn1ncc(Br)c1S(=O)(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2107455346 DFEWHBSWYGGSQY-NXEZZACHSA-N 432.149 1.895 30 10 IDEE CC[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2108228344 OWGOXIARJUQQFP-BFUOFWGJSA-N 425.482 1.903 30 10 IDEE CC1(C)OB(C#CCCNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 2241901934 HFPVWMYAAMAMTD-UHFFFAOYSA-N 432.307 1.227 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248432624 YOIWUFADAIDRTD-RYUDHWBXSA-N 439.343 1.921 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2255711756 CYINTOPWDZZCON-OAHLLOKOSA-N 437.346 1.614 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255838220 CDYKZDOSVGWYIH-ZDUSSCGKSA-N 435.334 1.196 30 10 IDEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)Cc1ccccc1 2255948937 RIZMXQZLFMEKTQ-INIZCTEOSA-N 448.398 1.518 30 10 IDEE Cn1cc(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267120894 QIUGRNPPENOZFM-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267177261 LMVCGSXBZZSXJL-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE C[S@@](=O)C1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267357323 UHHREAINKPBOEW-XMMPIXPASA-N 425.790 1.452 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 2267595641 GBCMEKDOTTTYCY-AWEZNQCLSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2312849795 UHVIFGMTPGKJMR-ZNMIVQPWSA-N 440.346 1.460 30 10 IDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc3c(c2)OCCO3)cc1 2325701763 DPGFYVHRFWXBHH-UHFFFAOYSA-N 430.438 1.504 30 10 IDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)NCCCN2CCOCC2)cc1 2325709448 RXNATRGJPJIOSD-UHFFFAOYSA-N 431.533 1.355 30 10 IDEE CS(=O)(=O)C1(C#C[C@@H](OCCN)c2ncc(I)s2)CC1 2367811688 KWKKDMYNUQMCNL-SECBINFHSA-N 426.301 1.345 30 10 IDEE N#Cc1c(N2CCC[C@@H](C(=O)O)C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C1CCCC1 3295253 ROKDIRVAAZVJLR-LLVKDONJSA-N 435.488 1.799 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1 20827654 SDCLKMJDMLWBDX-LSFURLLWSA-N 443.537 1.632 30 10 IDEE CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OCC)/C(=N/c2ccc(C(=O)OCC)cc2)S1 59134380 BUGDWTJNKBORSI-FOVZNYCQSA-N 435.502 1.884 30 10 IDEE CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(C)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12 71789609 XITKXPNIDXEFHU-GMBDQTOASA-N 442.468 1.061 30 10 IDEE CS(=O)(=O)c1cccc([C@H](NC(=O)Cn2cnc(C#N)n2)c2cc(F)ccc2F)c1 426861756 MKXIVKRNRARJQK-IBGZPJMESA-N 431.424 1.737 30 10 IDEE COC(=O)C12CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)(CC1)CC2 432070086 USPIYWISGWUIQM-UHFFFAOYSA-N 445.541 1.905 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3CC(F)(F)F)CC2)cc1 461744913 GYJUACJYLWPKSQ-MRXNPFEDSA-N 430.452 1.418 30 10 IDEE Cn1cc(C#N)c(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)n1 464100703 VQXMNAATXQHRJN-QMROVXIMSA-N 427.464 1.710 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 466040863 JVRWPEPFLCJFBT-IBGZPJMESA-N 434.500 1.465 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)CC1 466760546 JWIVJHAUFXOSMQ-YJBOKZPZSA-N 429.521 1.487 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 480110895 BZSCCMDBCBEDCI-RDTXWAMCSA-N 444.538 1.765 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 502709631 APHPIAFHZAIPRT-OAQYLSRUSA-N 435.546 1.922 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)C2=O)cc1 504707400 KSMQICOMMNPRAF-WOJBJXKFSA-N 445.479 1.853 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncc(Cc3cccc(C(=O)OC)c3)s2)C1=O 512424209 OLEVNPMMJVPIAU-UHFFFAOYSA-N 442.453 1.436 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 514430579 MDXNULYMOVPBPK-QGZVFWFLSA-N 432.569 1.848 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CCOC)[C@@H]1CCOC1 514892647 HKHVEBYFORQCCT-QGZVFWFLSA-N 435.550 1.623 30 10 IDEE CN(C)S(=O)(=O)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 541432315 SQXLUHWQAJUPCM-HNNXBMFYSA-N 429.340 1.049 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 553979174 UMUWDESZJSFYAM-ZWKOTPCHSA-N 425.510 1.841 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 559006141 FRQXTKLUMPMIQP-SFHVURJKSA-N 449.533 1.552 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 731862206 AEOHKTRWKFXDQW-DCOQFNDQSA-N 447.289 1.445 30 10 IDEE C#CCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC)[C@@H]1CCS(=O)(=O)C1 774055708 YPWRAHZUBXEBEM-GOSISDBHSA-N 434.562 1.491 30 10 IDEE C#CCN(C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 774234360 HLQHWVYNIOJMKW-AWEZNQCLSA-N 441.937 1.818 30 10 IDEE C#CCN(C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 774253854 QIJVTOWTLBBTDU-IBGZPJMESA-N 438.981 1.294 30 10 IDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 780206194 QQJQVPQQXAZNQR-UGSOOPFHSA-N 431.470 1.412 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2c(Br)cnn2C)c1=O 782783503 LLMAEBSZFBRUDH-UHFFFAOYSA-N 445.342 1.301 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790357917 XYZIWWWSCQXXMY-UHFFFAOYSA-N 434.521 1.614 30 10 IDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(Cl)ccc1OC 792775486 YWDIJZZLGLRATK-INIZCTEOSA-N 442.969 1.994 30 10 IDEE C#CCC[C@H](O)CNC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 798465819 KWBQTCNEEDVRBC-FHWLQOOXSA-N 429.517 1.744 30 10 IDEE CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 799833452 UPXONSBQKDTLFE-KRWDZBQOSA-N 447.561 1.211 30 10 IDEE COc1ccc(C2=NO[C@H](CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)cc1C 802142763 DYEXZAPAULWVCL-CVTQAYBASA-N 427.461 1.322 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 812182278 GJZSENRROBICSM-CVEARBPZSA-N 434.541 1.877 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)cc1I 813956516 IXNBWNWNCQKQKF-UHFFFAOYSA-N 427.223 1.985 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CCC3)c2=O)cn1 814253045 AHWOXHBSYBBSBA-MRXNPFEDSA-N 426.542 1.740 30 10 IDEE COc1cccc(/C=C(/C(=O)NS(=O)(=O)Cc2ccccc2C#N)n2nnnc2C)c1 916776166 VUEOULAXXMJMPN-ODLFYWEKSA-N 438.469 1.506 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 919096563 CMZOJFNDJPGIGZ-OALUTQOASA-N 425.489 1.864 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC(=O)N2C)cc1 1134428887 FMNUGWWESMQYKW-WRGRXTPVSA-N 431.514 1.001 30 10 IDEE C#CCN1CCC(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)CC1 1138303563 AVOGXSXKOSAUAW-UHFFFAOYSA-N 425.514 1.512 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)cc1 1148993407 WOSUDCSQLLQXSH-UHFFFAOYSA-N 426.498 1.448 30 10 IDEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156670243 RCSIIBZALYPCNC-AVYPCKFXSA-N 425.551 1.809 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1159779397 TVPBQBILENPNOG-CVEARBPZSA-N 428.551 1.937 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1159779402 TVPBQBILENPNOG-HZPDHXFCSA-N 428.551 1.937 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1161393665 QYQPNUVCBCLXIZ-ZDUSSCGKSA-N 429.336 1.858 30 10 IDEE Cn1cc(N2CC[C@H](NS(=O)(=O)c3cc(Br)c(C#N)cc3F)C2=O)cn1 1209926920 DUGPVYOZOWGYSK-ZDUSSCGKSA-N 442.270 1.277 30 10 IDEE C=CCCCn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286699426 CNZBJDLOCZINBZ-OAGGEKHMSA-N 439.582 1.933 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnn1 1286718210 BBRWQLCAEHBVIU-UHFFFAOYSA-N 430.538 1.499 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCC2)C1 1286810211 OKJRQCCLMLOTGL-SJORKVTESA-N 439.582 1.583 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286822809 HRJQQFLCWPEJCJ-HUUCEWRRSA-N 427.534 1.559 30 10 IDEE CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1292489445 XRIXVSVERYSCFO-UBZKEQBWSA-N 449.515 1.346 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3c(Br)nc4n3CCOC4)C2=O)cc1 1296292076 BKLIRENKUFREEF-AWEZNQCLSA-N 444.289 1.973 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[C@H]1COCCO1 1297275146 QPPRTYFQYCTUDQ-SFHVURJKSA-N 444.511 1.957 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1300357055 HXWWJJGWZQLEAB-HXUWFJFHSA-N 438.580 1.830 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300410681 PQDMVYURKKUXEG-SFHVURJKSA-N 436.564 1.923 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2(C)C)CC1 1300683205 NBZDUNFXWRXWNU-HZPDHXFCSA-N 440.639 1.175 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1300756240 JHJJMTRPVJOPKG-HNNXBMFYSA-N 446.606 1.472 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1 1300886566 YWFMRCBPAKVSFJ-DOXZYTNZSA-N 445.524 1.419 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CCC2)CC1 1301126004 RJLDPQMVNIECJB-OQRWROFFSA-N 426.608 1.884 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1301262000 NRWDXWOJMDFTOZ-UHFFFAOYSA-N 432.550 1.435 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)C[C@H]1C 1301483209 KKHIPCXSKPDFNZ-OAHLLOKOSA-N 434.504 1.304 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1301514296 ITSSHNCYJJIOTQ-INIZCTEOSA-N 443.504 1.557 30 10 IDEE COCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1302222537 BVUWGNGDFAIWGX-UHFFFAOYSA-N 436.520 1.540 30 10 IDEE COC(=O)CC[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1303266095 WJJZIAUYRHLKSU-FUHWJXTLSA-N 426.473 1.955 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1303721464 DORAWSOCQLZNOM-UWWQBHOKSA-N 433.509 1.852 30 10 IDEE CCc1ccccc1NC(=O)CN(C)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1305971396 OWGWKTYCFKEODW-QZQOTICOSA-N 437.504 1.750 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CC1 1310437925 UREALWHTOAUZOC-UHFFFAOYSA-N 429.477 1.114 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCC(n2nncc2I)CC1 1313096668 CZFMWTJKUTUMGF-LBPRGKRZSA-N 431.278 1.658 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1315826997 VUKDTJBQYPYNHS-QGZVFWFLSA-N 430.484 1.818 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1316018397 MWMVITIYBDWBHE-UHFFFAOYSA-N 448.549 1.237 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCOCC1 1358885963 UZJSORVUGRCQQD-SJORKVTESA-N 445.593 1.417 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1358890852 WIQCGHBCXUWUED-DOTOQJQBSA-N 432.546 1.898 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1358903907 NGKPAXGDUQVZPP-IBGZPJMESA-N 425.537 1.728 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1358966905 ZHKLEMTUALNHRI-MRXNPFEDSA-N 434.591 1.846 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1358970259 JPDNLVGDSZVCSY-XMMPIXPASA-N 445.527 1.940 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1358982237 OWHVVGYIHOSCNE-UHFFFAOYSA-N 432.528 1.912 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@H]1OC 1359021414 NXSUMTASITVZRF-GHTZIAJQSA-N 442.516 1.854 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359054419 VGLGQGWONDDQCP-LJQANCHMSA-N 439.589 1.449 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1359227697 IUTYHVPNIDQZIL-SQNIBIBYSA-N 441.598 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCC1 1359329334 GBTIURNQSQCLAP-UHFFFAOYSA-N 442.549 1.758 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1435086906 HDNAHRCNRSNRME-INIZCTEOSA-N 427.530 1.852 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](CC#N)C(F)(F)F 1439451516 CEPPMNPNDBIRSI-INIZCTEOSA-N 448.467 1.596 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1439607513 DVIZFHJLAINMCR-KSSFIOAISA-N 441.431 1.843 30 10 IDEE C[S@](=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1444492829 XXQXFLWPGVUQTI-WPANAYRISA-N 438.594 1.296 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)cc1 1453716833 PCOKIPWHNMMQEX-UHFFFAOYSA-N 444.513 1.289 30 10 IDEE Cn1nc2c(cc1=O)CN(C(=O)C1CN(c3ccc(Br)cc3C#N)C1)CC2 1465519206 ASSIBUJSGBTPJJ-UHFFFAOYSA-N 428.290 1.436 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1465935482 XJRJGQGHJVUDOE-UHFFFAOYSA-N 426.336 1.936 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCCN1CCO 1468291923 PYYWGVRNJLMQPK-AEFFLSMTSA-N 436.578 1.103 30 10 IDEE CC(C)(C)c1nnc2n1CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1470386320 CUUYXDXKMLSJAB-INIZCTEOSA-N 435.488 1.695 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCCNC(=O)CC1 1472360607 SNJBEJCMWASHOQ-KRWDZBQOSA-N 434.562 1.803 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 1473241168 UJUVXFJWGQQCGL-KRWDZBQOSA-N 425.455 1.348 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1502122847 KDKXFDPIDDNRNC-BSBNDGSWSA-N 439.520 1.815 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1503276782 CXKHKQIAIREHDH-INIZCTEOSA-N 448.549 1.283 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1507574508 OKIRDURSQAHFID-HOTGVXAUSA-N 446.581 1.223 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507628677 HXIDFAKRRLTXHS-MRXNPFEDSA-N 446.577 1.215 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCS(C)(=O)=O)CC1 1507721533 PIXWAFFSIURNHD-UHFFFAOYSA-N 447.561 1.152 30 10 IDEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1)c1ccccc1 1507921451 VAJAITNPNKAZRZ-RTBURBONSA-N 437.548 1.990 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(C)C)CC1 1508146902 CYVCZHCLAGIKEO-MRXNPFEDSA-N 425.555 1.035 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508148231 GYJYZYVHTIVGPF-MRXNPFEDSA-N 441.598 1.547 30 10 IDEE N#Cc1ccc(OCC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br 1515840301 ZDYPMOQYPQKGIR-YDOWWZDFSA-N 444.285 1.623 30 10 IDEE CN1C(=O)CO[C@H](C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H]1c1cccnc1 1517566896 RVVYIDFQQZSXDL-FMFRFZGHSA-N 435.484 1.753 30 10 IDEE COCCCS(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1533377626 UYBIYCQMQWUOIA-UHFFFAOYSA-N 430.324 1.445 30 10 IDEE C#C[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccc(F)cc1 1535460249 VRKMYCIPHMUTCB-QLVMHMETSA-N 436.505 1.898 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539221579 QFSVVMKNAXVHKQ-CVEARBPZSA-N 429.502 1.312 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1539325241 DMHFCBDGGFUFAT-KRWDZBQOSA-N 444.536 1.186 30 10 IDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(N)c1 1539590342 FZQYHVVMXKLOJF-UHFFFAOYSA-N 429.502 1.762 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cscn1 1539615511 JOXCRIGIKNVMFO-FMKPAKJESA-N 440.595 1.962 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539802442 YBVHAFZJJTWLAZ-MRXNPFEDSA-N 426.949 1.157 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@](C)(CC)O1 1540071758 HSXMNRNBZPOGNY-GJYPPUQNSA-N 427.571 1.581 30 10 IDEE CN1C[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540470893 IBJPKKVJIBWHAM-OALUTQOASA-N 441.532 1.473 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540866458 NWHLWGMFYLHOAO-HZPDHXFCSA-N 432.912 1.680 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540872526 RRDRSQRNSLYBPU-OAQYLSRUSA-N 432.475 1.412 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(C)CC1 1540905432 SMQZQCTTXGMOEC-AQFXKWCLSA-N 444.623 1.796 30 10 IDEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1544249244 DEBZQVZICZJXTR-GAJHUEQPSA-N 437.548 1.915 30 10 IDEE CCOCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1548278017 XBKACVWUDGYWCL-JOCHJYFZSA-N 441.536 1.560 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1548315284 OXCXZJFUWYYKBW-LJQANCHMSA-N 428.562 1.926 30 10 IDEE CSCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1555934872 MDSANWYEIUESNZ-AWEZNQCLSA-N 425.518 1.674 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC(N[C@H]2CCOC2)C1 1558550546 JETASUNYPCVFGC-PXNSSMCTSA-N 426.517 1.982 30 10 IDEE C#C[C@H](NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1)C1CCOCC1 1565105596 JEVSJBWQTZEYRI-HNNXBMFYSA-N 438.326 1.508 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cn1 1569043281 CDIFWQBETKVIDF-SFHVURJKSA-N 443.529 1.532 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587915532 MSVNOOBNUBTTEG-KUHUBIRLSA-N 438.937 1.691 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588044753 CACAYNCBOCQPBA-GOSISDBHSA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1588045759 QFBPIKVIJOHWMX-LJQANCHMSA-N 435.513 1.409 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1589662906 DQEMQWXSIXTZKK-KRWDZBQOSA-N 442.549 1.607 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1595529867 KHQONHIHEFVRPX-UHFFFAOYSA-N 444.499 1.957 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCCCC2)CC1 1595570015 UMPSEYASTONADQ-UHFFFAOYSA-N 440.596 1.897 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC)[C@@H](C)C1 1595576887 AREAPWNVDWIEKX-HNNXBMFYSA-N 431.566 1.102 30 10 IDEE CC(C)OCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1611054661 NCUPLRWYKRHFKX-KRWDZBQOSA-N 440.570 1.166 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613239817 IVXBHNDMYYMWOJ-APFMSCDFSA-N 443.552 1.765 30 10 IDEE CC1CCC(N(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)C2CC2)CC1 1614781463 XPQNDBPCZIYCHM-UHFFFAOYSA-N 444.532 1.793 30 10 IDEE C=C(C)CN1CCC(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 1616323375 PMXODQVFYFRMNZ-UHFFFAOYSA-N 428.576 1.275 30 10 IDEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1618082540 DTSPHMOGLHMYDZ-UHFFFAOYSA-N 432.550 1.904 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1618160318 FIUHSVSAYMUMRZ-MRXNPFEDSA-N 428.514 1.124 30 10 IDEE C#CCNC(=O)CN1CCN(C[C@@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)CC1 1618171063 JTAYTGQBFKUQCU-HXUWFJFHSA-N 444.576 1.671 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619571572 DYVKSDHDRARTLF-AWEZNQCLSA-N 425.493 1.332 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1620025391 PNHCFOOZVONJRF-RBUKOAKNSA-N 448.568 1.376 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CCOCC1 1620384710 FGQCCIOBWHQEBR-HTXNQAPBSA-N 428.880 1.962 30 10 IDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(C(=O)CC#N)CC2)C1 1622396143 UGEPPRFDKLSKPD-XMSQKQJNSA-N 428.489 1.387 30 10 IDEE CNS(=O)(=O)c1ccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)s1 1625097360 IHHUQZHCABVQOP-UHFFFAOYSA-N 441.575 1.923 30 10 IDEE Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1633550221 MFPJFVNLNOJLBN-CQSZACIVSA-N 445.277 1.233 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)CC2)c1 1636586113 ICFQMZPZVUAZKD-OAQYLSRUSA-N 445.589 1.732 30 10 IDEE C=CCC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1640864564 ZRSFHSADNWQNOM-OIISXLGYSA-N 444.937 1.478 30 10 IDEE COCCn1cc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(O)nc1=O 1643401671 OPPXOYWHWZMWIG-UHFFFAOYSA-N 434.452 1.976 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1645274222 NNRWQYFMDBCJLP-LPHOPBHVSA-N 434.518 1.352 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NCCOc3ccccc3)ccc2Cl)C1 1646381963 NBOUZFMFKQNBKX-UHFFFAOYSA-N 434.901 1.517 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@H]2CO)CC1 1647757209 JIARFRLXWYUKCH-OALUTQOASA-N 432.590 1.710 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)[C@@H](C)O)cc1 1648719137 FWONTNUPIYFCMH-PIPMEXSNSA-N 442.541 1.502 30 10 IDEE CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2S1(=O)=O 1648939982 HKCHROBEVKXFKT-UHFFFAOYSA-N 442.472 1.824 30 10 IDEE O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039780 UVDCEHFXYDYONO-YUMQZZPRSA-N 435.271 1.556 30 10 IDEE C=CCC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1656377101 LONRYLFKSZDPGF-KRWDZBQOSA-N 436.534 1.858 30 10 IDEE C#CCC1(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CCOCC1 1657026563 LCXCCUGTIDHOOE-UHFFFAOYSA-N 429.292 1.631 30 10 IDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C1CC1 1658028893 AFPJHHDJOLOKJJ-UHFFFAOYSA-N 432.546 1.937 30 10 IDEE C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C 1658953082 UWZKGJBWEGNOLL-KRWDZBQOSA-N 437.562 1.777 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Br)ccc(OC)c1F 1661544338 KDOIYRNXMJOOKJ-JTQLQIEISA-N 442.328 1.961 30 10 IDEE C#C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)C1CCOCC1 1663235948 SWLGLRKLWATJEP-ZCNNSNEGSA-N 436.530 1.370 30 10 IDEE C#CCN(C(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1678861972 HPYYLCNFMXSXTO-CQSZACIVSA-N 439.538 1.407 30 10 IDEE CO[C@]1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CCS(=O)(=O)C1 1685394770 MGJQIFHRXCZAJL-IBGZPJMESA-N 425.482 1.454 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 1686794827 OUYVDIRPWKVWTN-UHFFFAOYSA-N 439.560 1.055 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1689987729 BKHKBFPEHHWLLJ-MOPGFXCFSA-N 442.589 1.617 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689998893 ZYJVZIOBLLGIFF-VQTJNVASSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(CC)CC1 1690029809 IQTJDQRTKHXQFK-UHFFFAOYSA-N 425.581 1.005 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1690122115 GXOGENILMXZKGZ-AVRDEDQJSA-N 426.496 1.031 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)OC)C1 1690507431 MHIBWOVDTQURIJ-OAHLLOKOSA-N 431.493 1.988 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1690603564 DTIKPTTWUMHPLL-WOJBJXKFSA-N 446.573 1.831 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccccn2)CC1 1690673780 DLCOGTKGXXMLAY-UHFFFAOYSA-N 438.561 1.658 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 1690705846 FCNQNJHMYFYCHD-IBGZPJMESA-N 429.496 1.648 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1690933036 HEFGBELCVALLII-IBGZPJMESA-N 438.532 1.711 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)N(C)C 1692717306 JFHJKLVHBRASIR-HTAPYJJXSA-N 426.521 1.675 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695040041 OULGHCWTNVAGIW-IIBYNOLFSA-N 425.493 1.315 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1696495650 ANUJBDVGSHHIBU-INIZCTEOSA-N 438.941 1.657 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1C(C)(C)C 1696622879 FIFSDSRWORHWQP-INIZCTEOSA-N 432.550 1.603 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCNS(C)(=O)=O 1696688180 IFOJVBLCNNQJNN-UHFFFAOYSA-N 426.506 1.182 30 10 IDEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1697224614 HBAFWSPEQFOHGQ-YOEHRIQHSA-N 428.534 1.680 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1698492126 ARQHAQCPVMEXHG-MSOLQXFVSA-N 437.504 1.170 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1705496977 RKZAPKPBHUXEIX-QGZVFWFLSA-N 442.545 1.743 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1705500703 RZCFSBOMFKOIME-QGZVFWFLSA-N 432.546 1.297 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705517562 YCRJSYRZPFCOPH-ZCNNSNEGSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705568646 SKSZFOUVUZTALZ-FUHWJXTLSA-N 448.520 1.659 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CSCCS2)CC1 1705647916 LESWQNWJSVKBMY-SJORKVTESA-N 435.619 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCCN2CCN(CC)CC2)CC1 1705650724 YNDDMXYZOGUUMP-UHFFFAOYSA-N 429.613 1.224 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705701575 CLIBOUDOOHMTCU-GGPKGHCWSA-N 427.553 1.964 30 10 IDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCN(C)C1 1705874657 SQLBIPZQOKZGGH-HSZRJFAPSA-N 438.580 1.697 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705906034 PUMGJFODYFTHDJ-LJQANCHMSA-N 436.520 1.360 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1705924462 CYVDIJNQQNNICC-KGLIPLIRSA-N 438.472 1.888 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 1706002384 BTGUQMILTCNEGJ-FQEVSTJZSA-N 437.548 1.454 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1707826724 SIVLLAZJDJBZRS-ISLYRVAYSA-N 446.462 1.512 30 10 IDEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1=O 1709792525 CHEONRRANSXKQH-QHCPKHFHSA-N 435.532 1.744 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1711340192 PEZCAZYQYOIPDW-ROUUACIJSA-N 435.532 1.694 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712249029 XNOQBQCZXUNWSQ-BSBNDGSWSA-N 437.504 1.729 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712882956 PDVXCAABKRAKOK-VGVBMJIYSA-N 425.493 1.786 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722341263 BPPOJVQEFMTUIZ-OAHLLOKOSA-N 430.475 1.529 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722360704 IVKSXRISFCZZTC-SFHVURJKSA-N 430.578 1.697 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1722365907 GGVRQRUGPLRZDQ-WBVHZDCISA-N 436.484 1.735 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC 1722428874 LCHCREMPOGUJDQ-UHFFFAOYSA-N 448.568 1.615 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCS2)CC1 1722452151 BQNUOUUCLJNLTP-OTWHNJEPSA-N 447.605 1.864 30 10 IDEE C#CCSCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1722463789 MXNDROSNAAHOIC-VQIMIIECSA-N 442.607 1.310 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1722655723 JIWSXKXBVILVGV-WMZOPIPTSA-N 435.550 1.496 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722698888 OIOYHEZRZJRLHC-LSDHHAIUSA-N 431.497 1.169 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C(=O)NC)cc1 1722705626 GBELRAKZVHURLQ-MAUKXSAKSA-N 426.521 1.661 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)OC 1722728191 ROIPEQAKYILPCM-UHFFFAOYSA-N 432.506 1.273 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCC2)CCOC1 1723692487 OYKSSZSSLKFYMG-SIKLNZKXSA-N 432.569 1.922 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1723773336 OYAFPVPKKWJNOS-HNNXBMFYSA-N 427.465 1.841 30 10 IDEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1726702623 IKSNEVVYTVDIBN-ORIGZDJFSA-N 429.525 1.060 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1728259845 GDCBTTYCCUICNU-QGZVFWFLSA-N 436.476 1.564 30 10 IDEE CCn1cc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1728531658 FBPDWSOQKBWQHW-CZIZESTLSA-N 435.492 1.652 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCSC1 1729074096 AOTXFRHFJIOIHT-QFIPXVFZSA-N 442.589 1.876 30 10 IDEE 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N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1750386898 PQJMBGWIZASPMF-MSOLQXFVSA-N 445.545 1.765 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCOC[C@@H]1C 1750953909 GHVDTGAIRZOIEI-LSDHHAIUSA-N 439.520 1.624 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC(F)(F)F)CCOC1 1751005999 BRVKDCMACPAQIP-SUMWQHHRSA-N 432.447 1.736 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCOCCS(C)(=O)=O)C1 1751278940 ZHSVRRKOMKGSTI-FQEVSTJZSA-N 432.550 1.455 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCCO1 1751302544 DFBOZAKGKXUPFD-NRFANRHFSA-N 444.561 1.858 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760136510 IFUOGBJHTFTWBZ-IBGZPJMESA-N 443.596 1.413 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@H]1CCCO1 1760171087 UYEZUYRNOSPOGY-QGZVFWFLSA-N 446.577 1.893 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760188146 INRKRNQGHXLNET-GOSISDBHSA-N 446.577 1.655 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189421 UHCHHOCLIJMXMP-QRQLOZEOSA-N 435.594 1.629 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1760210365 ODHIONZUKOAFFB-UHFFFAOYSA-N 430.505 1.894 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760280384 KCKZFKSMXVYGLQ-IRXDYDNUSA-N 446.577 1.653 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760280482 FXWFXMPFVAGCKE-IBGZPJMESA-N 443.621 1.821 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1760287757 FJAUEHUKGICMLR-HRAATJIYSA-N 442.545 1.885 30 10 IDEE C=C(Br)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1760313512 BXWYGJDWVHTTNZ-SFHVURJKSA-N 440.342 1.650 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760519737 NJNARCYTXIOVSF-MRXNPFEDSA-N 432.550 1.074 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1760521674 AQMKFEJYCNUUFV-AZUAARDMSA-N 441.532 1.888 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1767606977 CZECCJAYIWFORI-JOCHJYFZSA-N 433.520 1.540 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)C[C@H]1O 1767922398 ZSWHLVZCMHJGQQ-WOJBJXKFSA-N 449.515 1.772 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1768969892 SJEOUIZXBYSVNE-QGZVFWFLSA-N 445.545 1.841 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 1850799068 DEUMYFONPXCLES-UHFFFAOYSA-N 428.489 1.626 30 10 IDEE C=CCN1C[C@H](C(=O)OCC[C@@H](c2ccccc2F)N2CCS(=O)(=O)CC2)CC1=O 1852861416 JCWMUQPCYUUZDA-APWZRJJASA-N 438.521 1.565 30 10 IDEE COc1c(F)c(F)c(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c(F)c1F 1855002440 DUFRJUNHWNZWDZ-NSHDSACASA-N 428.386 1.524 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862565361 VSZVKHHNJOHDBU-ZMZPIMSZSA-N 428.441 1.951 30 10 IDEE CC(=O)N(CCN)C(=O)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(C)C 1868784473 XLVSLBQVQBMKEK-IEBWSBKVSA-N 433.578 1.499 30 10 IDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870142765 KXSIQQAHAFRDMQ-LBPRGKRZSA-N 443.423 1.721 30 10 IDEE CCCCCCCCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CC(O)C2)n1 1871510123 SCPZSVSGTOWMKG-UHFFFAOYSA-N 449.581 1.638 30 10 IDEE COCCN1CC(=O)C(c2nc3ccccc3s2)=C1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1873710954 AOEJFVUWHOFPRO-AWEZNQCLSA-N 442.541 1.869 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1890351851 PGCQNUVQCKJJHR-UHFFFAOYSA-N 427.517 1.385 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248398436 UDYFKFOXWPTLIR-UHFFFAOYSA-N 436.303 1.004 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255622651 CGONNKURULLIIA-UKRRQHHQSA-N 434.346 1.845 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267115387 IHOAERMZOMMQFJ-CQSZACIVSA-N 449.361 1.634 30 10 IDEE CCn1cc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267491864 JZEYJBRPZXHPRP-UHFFFAOYSA-N 446.357 1.895 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2267571598 LAYLLZLESSLKEO-UHFFFAOYSA-N 449.357 1.284 30 10 IDEE CO[C@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284410382 UBRUDOAAGDRJOQ-SECBINFHSA-N 425.721 1.079 30 10 IDEE COc1cc(C=Nn2c(C)nnc2SCCCO)ccc1OCCN1CCOCC1 2321178522 MRDROGUAEPVGDE-UHFFFAOYSA-N 435.550 1.663 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)OC)[nH]c3ccc(F)cc23)c1=O 2321656106 BRKNJNXCAJKHPB-UHFFFAOYSA-N 433.421 1.322 30 10 IDEE COCCn1c(=O)c2c(ncn2Cc2cccc(C#N)c2)n(-c2ccccc2OC)c1=O 34694409 CEPAXWDCKXMQCS-UHFFFAOYSA-N 431.452 1.924 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(F)cc3)n[nH]2)cn1 59886876 GPIQDYTXSUSWAU-LSHDLFTRSA-N 446.512 1.684 30 10 IDEE CN(CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1 109890438 SOHKANFTYAWNDG-QGZVFWFLSA-N 445.526 1.114 30 10 IDEE C=CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 448378063 XASXOWFCTKAUKT-HNNXBMFYSA-N 437.518 1.281 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@H]1CCCO1 461346057 GCMGNCLTCXZREY-MRXNPFEDSA-N 445.516 1.266 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 465267215 PDZQIEHCRGEGKS-KRWDZBQOSA-N 428.514 1.814 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2Cn2cccn2)CC1 468212496 WJAJJEKCTWUPNS-UHFFFAOYSA-N 435.509 1.950 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 508867422 PVHBBABWWUALMP-SFHVURJKSA-N 427.461 1.243 30 10 IDEE N#Cc1ccc(C(F)(F)F)nc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 522409271 MBKKNYJLNFQTPB-UHFFFAOYSA-N 429.380 1.175 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 524517852 VELWLWZYAIJKEM-UHFFFAOYSA-N 442.560 1.899 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1-c1ccccc1C#N 527073345 RRPRECDWGXWHNV-UHFFFAOYSA-N 438.871 1.812 30 10 IDEE N#Cc1c(CCCNC(=O)C2(N3CCOCC3)CCC2)nn(-c2ccc(F)cc2)c1N 539928442 YTMZKYIZGNXLHS-UHFFFAOYSA-N 426.496 1.769 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 544069898 VVDKYHLZQFRUBF-QGZVFWFLSA-N 446.485 1.213 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC(=O)N(CCOc4ccccc4)C3)CC2)n1 544851565 KEIKHSLUZJFSBK-LJQANCHMSA-N 434.500 1.465 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cc(C#N)ccc2Cl)CC3)CC1 560729920 VDKXGACBMMXCKO-MRXNPFEDSA-N 440.935 1.788 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C 590943069 BUDZUCHBBWLLJF-QGZVFWFLSA-N 433.533 1.862 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cc(Br)ccc2F)CC1 604182646 MTXKJTGSBVUSEN-UHFFFAOYSA-N 427.318 1.760 30 10 IDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCN(CC#N)CC1 610667246 VMWBWBNOEIPUAI-CYBMUJFWSA-N 428.352 1.963 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3occc3c2)c1=O 671654152 CZPFDOWRINAPBZ-UHFFFAOYSA-N 435.505 1.616 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)n[nH]1 682285478 JFEZKQQSKVFBLN-UHFFFAOYSA-N 434.525 1.857 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)c1 726563632 POEMVRLNPRLLTQ-KRWDZBQOSA-N 427.526 1.863 30 10 IDEE C#CCNC(=O)CN1CCN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 728567248 QMFJNQWWQDQWIB-UHFFFAOYSA-N 444.326 1.970 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729673323 YVSREGHMHILCNF-UHFFFAOYSA-N 435.534 1.111 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CC(=O)NC2=O)n(-c2ccc(F)cc2)c1C 732356026 ADBWYLSKRHFJAP-UHFFFAOYSA-N 427.392 1.138 30 10 IDEE CCCCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1 734291623 WRHVNZWFAXFAAU-UHFFFAOYSA-N 427.548 1.514 30 10 IDEE CC(=NNC(=S)NCCCN1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1 741161282 NQTOHBDTCOSHFX-UHFFFAOYSA-N 439.607 1.137 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 742279804 ZHWSOISRMHZEEV-NSHDSACASA-N 437.293 1.168 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(CC(=O)N2CCCc3ccccc32)CC1 742406302 WAMHUZBPJYNYEL-UHFFFAOYSA-N 439.541 1.307 30 10 IDEE C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 744546770 SOUKWGLBQZLWHN-SWLSCSKDSA-N 443.319 1.283 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 747105729 XCVZEZUDSGFDMO-UHFFFAOYSA-N 429.502 1.463 30 10 IDEE C#CCN(C(=O)c1cccn2c(I)cnc12)[C@@H]1CCS(=O)(=O)C1 750610160 LCTIAKXODAFVMT-LLVKDONJSA-N 443.266 1.201 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H]2CCN(C(=O)NCC)C2)c1 760324374 XOFUSXZHJXAZLT-SJORKVTESA-N 427.530 1.539 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760856973 WBUXODMVZYYJRN-SNVBAGLBSA-N 437.293 1.168 30 10 IDEE COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC2=NC(=O)C(=O)N2)cc1OC 765591199 JOJBLDNUNKWLHU-UHFFFAOYSA-N 432.440 1.552 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)[C@H](C#N)C1 765892410 OQDLXIFXRYQYIU-NVXWUHKLSA-N 448.499 1.616 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 768078130 HYWCASQQHGNBBQ-UFVMTTLYSA-N 426.473 1.678 30 10 IDEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 781936526 ACNHBRCQLDNZPL-BQASMSSTSA-N 435.525 1.944 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786689744 XAPXHZSUHCPGCU-CQSZACIVSA-N 429.951 1.842 30 10 IDEE C[C@@H](CS(C)(=O)=O)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790756653 GYPKYHZAIUHTJA-JSGCOSHPSA-N 446.620 1.181 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1 803698988 LOABVVPMBKAVRZ-UHFFFAOYSA-N 426.513 1.862 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 809909472 BCDOVNAKKJNYTR-OAHLLOKOSA-N 448.524 1.851 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 809923071 YADGSAXDCOSFEJ-ROUUACIJSA-N 443.552 1.949 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)NS(=O)(=O)c3cnn4c3OCCC4)cc2)nc1 816205559 BHSIDARHEPQRFY-UHFFFAOYSA-N 425.426 1.843 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccccc2C#N)n[nH]1 1084041430 MHXZHWFGUQMNLE-UHFFFAOYSA-N 439.505 1.659 30 10 IDEE Cc1c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc(Br)c1C#N 1129954909 JQWTVNBVODWCJP-UHFFFAOYSA-N 431.250 1.015 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1131944932 NEZFNQSKNJWZFS-GOSISDBHSA-N 449.573 1.466 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1132418543 ROWVQCKUXOKDCT-JLTOFOAXSA-N 437.880 1.653 30 10 IDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1140626342 FHVDBIUXKCGCOX-GOSISDBHSA-N 438.546 1.707 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)OCC 1151574525 SUJKIZSHWJASSN-AWEZNQCLSA-N 435.955 1.556 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc(O)c4c(n3)CCOC4)C2)C1 1175213885 JHRXSFLSSNKNIY-BJCXIENYSA-N 443.504 1.658 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286392185 LCPIXBMBQDWMKH-MOPGFXCFSA-N 427.530 1.583 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286392463 MFFBRAMZNASRPW-OAQYLSRUSA-N 441.601 1.786 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)no1 1286401843 VFGXHEYTWYDAII-UHFFFAOYSA-N 437.529 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)COC 1286420739 IXIHXSLQMBRVKS-GOSISDBHSA-N 443.573 1.941 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(C)=O)CC1 1286474795 PRQJNTAXPSUWNE-UHFFFAOYSA-N 430.940 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1286491433 RRIWHTUDALKFNW-GOSISDBHSA-N 432.569 1.967 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286534809 DBNHQEXNXISLQT-UONOGXRCSA-N 428.331 1.722 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2C(C)C)C1 1286811075 ZLPOZJSJNKBAOX-XMTFNYHQSA-N 439.582 1.609 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CC2)C1 1286812985 VMMKSDDIWJXDQO-INIZCTEOSA-N 437.591 1.992 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C)N1CCOCC1 1288607301 OFLVCSFYESASSY-QGZVFWFLSA-N 439.564 1.888 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1288982123 PZFGBKZNSBCKFV-RBUKOAKNSA-N 435.575 1.610 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1297997697 AQJXMMJWLXERTA-KRWDZBQOSA-N 430.534 1.308 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1300284951 WEWFVZJIAWYLEJ-SJORKVTESA-N 431.562 1.527 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1300410705 PWNXUALQVKNLMW-RBUKOAKNSA-N 446.577 1.312 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300411732 WJGHVLIMZXOMAB-QFBILLFUSA-N 445.545 1.674 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300500516 AOTYCPAKDZDYDP-MSOLQXFVSA-N 447.605 1.854 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1300538053 MTCLVQDWWDFGMC-LJQANCHMSA-N 445.520 1.066 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)ccc2OC)CC1 1300706480 NYXLBNVELJWPLO-UHFFFAOYSA-N 449.559 1.960 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(C)(=O)=O)CC1 1300706635 QLHOFTMMZAMMMW-UHFFFAOYSA-N 426.546 1.081 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)nc2)CC1 1300728908 JPMOSQLRJKYLKI-UHFFFAOYSA-N 435.532 1.118 30 10 IDEE C#CCSCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1300778482 XCGVLIVOLQFRNL-OAQYLSRUSA-N 445.593 1.357 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CCC)OC 1300805481 DZBZZDLTYVKIPU-FUHIMQAGSA-N 439.582 1.418 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300891599 LWYXKKJSEQAKNW-NSHGMRRFSA-N 426.521 1.196 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300996677 IRALYBVELXGGKX-KRWDZBQOSA-N 431.541 1.034 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)C(C)C 1301366556 FCQVTEDXAYLJQF-QZTJIDSGSA-N 429.569 1.206 30 10 IDEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCN(CC(F)(F)F)C1 1301583420 NVTPZWDYBWWHSO-ZFWWWQNUSA-N 432.468 1.710 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1301609853 PIVLTGIXCPHDJA-ROUUACIJSA-N 433.626 1.365 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301624104 RVKXTPPSOADNJT-JYJNAYRXSA-N 430.596 1.545 30 10 IDEE C[C@H](CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)N1CCN(C)CC1 1313427849 NFWXOUFRWAVXRK-MRXNPFEDSA-N 442.543 1.333 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)COC)CCN2C1=O 1313832213 FSOQXPOPCWDMCJ-QAPCUYQASA-N 437.504 1.572 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1314554984 QZVXZBXMLHZEPH-LJQANCHMSA-N 443.577 1.431 30 10 IDEE COC[C@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315815708 KWYIDTBLHYUASW-DOTOQJQBSA-N 437.483 1.701 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cc(C)no1 1316186937 SMEQBPHBEQSGHZ-CQSZACIVSA-N 439.476 1.882 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOCC2)CCO1 1316539882 GXNGXNINIUZHMP-LJQANCHMSA-N 430.940 1.973 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1358937478 XLIHXTXKFYYHCA-NRFANRHFSA-N 441.561 1.203 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1358965372 UASHUOHJSTZMPW-IBGZPJMESA-N 443.573 1.850 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1359007603 OLTQCBQIDZMKAS-UHFFFAOYSA-N 443.458 1.516 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1359027529 MUHDVQDXYTWQJO-IYBDPMFKSA-N 434.541 1.271 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H](OC)C(F)(F)F)CC1 1359028415 RIXLDVBQHHILLQ-INIZCTEOSA-N 444.502 1.919 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)COC)CC1 1359034591 XBFULUJGDGQZME-KRWDZBQOSA-N 445.593 1.276 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CC1 1359035811 FAQLVOWRGCQDGX-MRXNPFEDSA-N 434.953 1.032 30 10 IDEE C=CCN(c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1359248946 IXQKOGLZYJOIBP-UHFFFAOYSA-N 434.591 1.874 30 10 IDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359290742 OFDPRGZWQVLXPI-QZTJIDSGSA-N 432.569 1.957 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H](C)C(=O)NC 1359291007 ASEICRHECKMSFH-INIZCTEOSA-N 441.536 1.268 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC2(CCOCC2)C1 1359292800 YBALWYXEAYBJFA-UHFFFAOYSA-N 439.520 1.625 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1359320640 SXDHQJYCDMAPQO-CEXWTWQISA-N 433.553 1.448 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCn2ccnc2C)C1 1359321206 BXMZZBGZAULDAE-MOPGFXCFSA-N 448.593 1.947 30 10 IDEE CC(C)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1359597849 GNMIDSJPHJDQMU-QGZVFWFLSA-N 444.511 1.836 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1360170810 PPTAETOMNXRFSF-FBMGVBCBSA-N 443.533 1.641 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3c4c[nH]nc4CN3C(=O)OC(C)(C)C)CC2)c1C#N 1466921909 QPFNNCAFMQQRDB-KRWDZBQOSA-N 440.508 1.464 30 10 IDEE C[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCN1CCO 1467341180 WQKTXRQJKIMSHM-OXQOHEQNSA-N 428.533 1.918 30 10 IDEE CCOC(=O)C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1 1469083020 KEZGWXYJKLBMJD-MRXNPFEDSA-N 430.486 1.321 30 10 IDEE C#CCN(C(=O)NC1CC(NS(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1469912589 YBXAULQZGLHXMV-UHFFFAOYSA-N 428.555 1.111 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)OC(C)(C)C)[C@H]2C1 1478284674 NAWSTGKYUWPEHB-HZMVEIRTSA-N 427.567 1.874 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1499685467 JDBLVSQRQIZERF-LZICOFPGSA-N 426.477 1.988 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1505048301 ODBOGXYEWOWFFI-JTSKRJEESA-N 427.505 1.864 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507578251 YEZNZNNVIGKUOS-UHFFFAOYSA-N 449.515 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1507660034 LALLJTOYOKXLKU-OALUTQOASA-N 448.637 1.862 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N[C@H](C)CC)CC1 1507727405 IOTMFIFZEBIZCD-MRXNPFEDSA-N 429.594 1.694 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@@H](C)CC 1507820361 CDHXOZHTVGYRCC-ZWOKBUDYSA-N 443.614 1.811 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@@H]1C 1507998843 UCGSCMDWJNIPSR-ICPLQIHGSA-N 441.532 1.970 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1508080243 MLIPLSSTERXXKY-UHFFFAOYSA-N 430.534 1.600 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N(C)C1CCC2(CC1)OCCO2 1508148126 GISMDDRSYKHFEU-UHFFFAOYSA-N 428.555 1.537 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1509777630 FINOCIOBRMKGAM-UHFFFAOYSA-N 442.549 1.514 30 10 IDEE CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1517021190 DGQNAYJAJKAJAX-UHFFFAOYSA-N 444.565 1.030 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C[C@H]1C 1519206139 IBVAWANDPWRFEU-GOSISDBHSA-N 434.548 1.950 30 10 IDEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1520740103 QARRWANPTKCJTM-NVXWUHKLSA-N 427.509 1.906 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F 1539273332 PKFFWLHSXBSIDR-UHFFFAOYSA-N 438.435 1.021 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)F)CC1 1539445660 BTQFXEVKPIIQAV-INIZCTEOSA-N 445.474 1.072 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539802915 BXPYOWSYZBVKSE-HZPDHXFCSA-N 429.974 1.091 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2C)CC1 1539890923 VZAIYLXLTUXIAZ-IBGZPJMESA-N 446.577 1.765 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1540873125 NQGAZHAUUGOMHA-INIZCTEOSA-N 445.593 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)OC(C)(C)C1 1540907254 QACDXMWKQBRQIK-KRWDZBQOSA-N 436.582 1.744 30 10 IDEE CN(C)CCC[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1543144564 NTVKHEWHIQNCGQ-HXUWFJFHSA-N 448.589 1.528 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1547600226 FLXCWNULFHXEAZ-FQEVSTJZSA-N 430.534 1.166 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CC1 1555808794 GSXGMDMJHKUNJO-UHFFFAOYSA-N 426.502 1.930 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1 1557659354 VERBMRVHRWNPLR-HWPZZCPQSA-N 427.404 1.492 30 10 IDEE Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cn1cc(C#N)c(O)nc1=O 1558953905 GGPMKEQIXPNIFS-GOSISDBHSA-N 433.472 1.411 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1568898162 NOYOXJUCYHGNLH-RYUDHWBXSA-N 429.461 1.232 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 1569342596 WQTHIAWXHXCZFN-WBVHZDCISA-N 426.495 1.543 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2I)C1=O 1583510674 LDVAGWSUNILVRI-UHFFFAOYSA-N 447.616 1.860 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1587524879 RLRIHQARILQIRT-RBSFLKMASA-N 425.482 1.527 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1587640557 SUOWVWXSPDRARI-YOEHRIQHSA-N 437.953 1.771 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588024595 HMSHXUHZZIYGMK-DLBZAZTESA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1588049109 AHNIGDBFMAUSRG-OXJNMPFZSA-N 448.618 1.337 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1588055234 UHBPWKQOEKNUOW-AWEZNQCLSA-N 436.488 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)CC1 1588811488 KLIZRUAUBICCNT-LJQANCHMSA-N 430.553 1.406 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1589662817 BYZWUCRKVJDECU-CVEARBPZSA-N 429.612 1.767 30 10 IDEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1594545982 WKBXDGWAAPXDHL-AZUAARDMSA-N 435.532 1.990 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1596789100 FQCBZSGSEIXCOS-GFCCVEGCSA-N 448.329 1.806 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)s1 1616581145 IXIRVUZMDVTRDX-AUUYWEPGSA-N 444.575 1.618 30 10 IDEE CN(CC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1618078359 IEWVSORGXQLTNL-OAQYLSRUSA-N 429.546 1.993 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1620152325 DVTFIDUIZLZJKH-GOSISDBHSA-N 433.534 1.229 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)cc1 1622886677 PCCHODYQPRAMFX-SFHVURJKSA-N 441.575 1.924 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 1623480742 UJHJFEVEABVUOC-UHFFFAOYSA-N 431.212 1.948 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(CCCO)C1 1624410385 FMSBMAUXVLIROQ-KRWDZBQOSA-N 436.578 1.249 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccn(CC(F)(F)F)n3)CC2)cc1 1625121160 HXGGRKSGIQDZML-UHFFFAOYSA-N 441.435 1.393 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1633700960 BSRSNSHVHGUULY-GYOIFBIXSA-N 440.884 1.164 30 10 IDEE C#CCC[C@H](O)CNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1639434653 QJJBCLVVVZLGDU-INIZCTEOSA-N 444.963 1.931 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 1641574098 FBEMJIOLLDUGDW-HJPURHCSSA-N 444.491 1.970 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 1644282098 UBUZKXLEKQPEBS-UHFFFAOYSA-N 449.533 1.057 30 10 IDEE C=CCC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 1644571249 WNJHZVHBVXIBNQ-GHRIWEEISA-N 430.530 1.637 30 10 IDEE COC(=O)[C@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)CCOC1 1647809155 GDBXLKBMWPUNMO-JTSKRJEESA-N 432.496 1.411 30 10 IDEE Cn1c(=O)c(C(=O)CN2CCc3c(CC#N)cccc3C2)c(N)n(Cc2ccccc2)c1=O 1647924090 QFRSIRXKYQFPMK-UHFFFAOYSA-N 443.507 1.485 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 1651508790 ADTKVLSZBNMUHJ-YJBOKZPZSA-N 442.497 1.709 30 10 IDEE COc1cc2c(cc1OC)S(=O)(=O)N(CC#CCN1C(=O)c3ccccc3C1=O)C2=O 1656256470 YARWXKIMWGDZDX-UHFFFAOYSA-N 440.433 1.148 30 10 IDEE C#CCn1ccc(CN(CC)CC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)n1 1658505188 RWJGNIBJRXXFEA-UHFFFAOYSA-N 445.545 1.883 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 1659843688 BZQZDUJXAXOWIQ-VBKFSLOCSA-N 448.476 1.367 30 10 IDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1666758672 FQRHISRVMMHFBZ-DOTOQJQBSA-N 437.518 1.156 30 10 IDEE C#CCSCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1677865569 DRPHFPXHMKFRQU-OAGGEKHMSA-N 438.550 1.577 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 1682022326 YGJIWHLVUOPICP-CXVUKDAWSA-N 440.500 1.459 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 1682794858 LZIIKUOSCUJOAY-MRXNPFEDSA-N 426.517 1.965 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)c(Br)c2)CC1 1684987444 LNAXEPWXWRCLLG-UHFFFAOYSA-N 429.340 1.052 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCCC2)c1 1689870374 LVUXMFJECGRSBM-GOSISDBHSA-N 436.516 1.591 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1689893513 ZGRHEBIMYVARLL-SFHVURJKSA-N 437.566 1.197 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689996201 FATYXENXIKXUJF-DNVCBOLYSA-N 438.575 1.411 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1ccnn1 1690043424 AQVLAEASIKUOOW-UHFFFAOYSA-N 427.472 1.739 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1690120388 SZBBVUCKWUHNQT-UHFFFAOYSA-N 428.422 1.952 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1690124045 DKTAWAJWMCSQNH-KRWDZBQOSA-N 428.537 1.889 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1690125823 OLMUEXLVPBZSFB-DLBZAZTESA-N 431.487 1.442 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1690204579 NWYYFRJJXGPIPF-KBXCAEBGSA-N 432.326 1.881 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C2CCCC2)CC1 1690655518 YRFWWRBBBXMCNW-UHFFFAOYSA-N 429.569 1.271 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690675738 DAAMAQIUIWDLJD-OAHLLOKOSA-N 431.468 1.688 30 10 IDEE CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690980204 ZYCHHTHTKSIEOA-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1692495196 BCEMVFDMVOMGTQ-UHFFFAOYSA-N 427.509 1.262 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2c(c1)COCC2 1692777725 XVQGWWYDOPGYEC-HNNXBMFYSA-N 444.561 1.749 30 10 IDEE Cc1nn(C)c(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1693398671 DZZOZOLKHRIISS-KRWDZBQOSA-N 431.566 1.709 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCCOC(F)F 1693747124 LWYSICAHGVEVKX-HUUCEWRRSA-N 448.478 1.788 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1705541858 TWMANCLXORUONL-IAGOWNOFSA-N 430.578 1.405 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705569906 LDFAJLPBVJTJAX-OFNKIYASSA-N 442.585 1.851 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1705611724 NYFLEBWNEYKOEX-CQSZACIVSA-N 426.502 1.488 30 10 IDEE C#CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1705665167 LTCDMKNLMJBJNL-WWMYMODYSA-N 433.578 1.544 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705891048 WILUTMXWJHTMQW-OAGGEKHMSA-N 432.525 1.487 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1705906536 IKODKNGPMZTLOC-QGZVFWFLSA-N 426.521 1.443 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1705906760 NWXUCLQQPGOKIF-UHFFFAOYSA-N 444.923 1.624 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1712455234 YXLCNRMPIBXARS-ADKAHSJRSA-N 439.582 1.752 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCCS2)CC1 1722442155 ZGYDZZGCZHMMRZ-OAQYLSRUSA-N 432.594 1.668 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722455112 KWAXJPPSFVXGCR-UHFFFAOYSA-N 440.573 1.782 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(N)=O)cc2)CC1 1722573916 CMQXTMKFEUQPMO-CQSZACIVSA-N 447.565 1.830 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722683460 PMIUZYYFGGHDDQ-FQEVSTJZSA-N 430.534 1.240 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722688295 AQSLOMSBMZCHLG-SJORKVTESA-N 437.541 1.079 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722692740 VBLWKLUSEUGABI-VMXMFDLUSA-N 446.596 1.567 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1722732416 YWHBCZJWLJAOLR-UHFFFAOYSA-N 447.627 1.037 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1728185357 BFPYCIGPJLARGX-MSOLQXFVSA-N 437.504 1.668 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1730783443 PTWYGPRTGKMAAR-VBKZILBWSA-N 447.902 1.930 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1730992403 CYRSLMPOMZIMCG-GOSISDBHSA-N 440.529 1.903 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740619358 NRKCATRITRQZQF-FQEVSTJZSA-N 449.540 1.649 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1740624474 JEPHOXJZUWARTL-IBGZPJMESA-N 441.557 1.265 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740705431 HAWOCPZBMDTBMO-GEQKSPFYSA-N 429.565 1.689 30 10 IDEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1740722453 FJBWPRLUVJVRFK-GCJKJVERSA-N 449.621 1.990 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740817494 HSDZACJAYBVKMK-UHFFFAOYSA-N 444.561 1.627 30 10 IDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1740871992 VRUSVXDMJLVVQO-UHFFFAOYSA-N 440.548 1.893 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740961889 ZYDDZCLKUPOMSP-HXUWFJFHSA-N 435.532 1.791 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)no1 1742134498 IFVYZWPUMUMUBR-GOSISDBHSA-N 442.501 1.697 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748821259 NRHPYDPZNHZIRK-LJQANCHMSA-N 433.622 1.979 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC1CC1 1748837911 ROSNIAKCJYENBU-UHFFFAOYSA-N 440.525 1.614 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1748923087 SVRHQDABIKLACE-UHFFFAOYSA-N 443.511 1.881 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)F 1748950661 MXPXDMZTCVVKJM-UHFFFAOYSA-N 445.268 1.503 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1748977326 GBAUTYBFZMAMNT-HXOBKFHXSA-N 440.523 1.791 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749044773 UHLNWNZLVATTCY-KRWDZBQOSA-N 442.593 1.909 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749659231 YZJREZQLDCEZCA-UHFFFAOYSA-N 443.552 1.139 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1749664748 YRHOBUCTGTYJRF-UHFFFAOYSA-N 431.562 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749725463 VJDHIHAFNIFLTR-OALUTQOASA-N 443.573 1.823 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1750206262 BKJDNJXJPLMNPV-UHFFFAOYSA-N 445.545 1.780 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCNC(=O)c2cccs2)c1 1750381032 GTVAMVHEDMXLAA-MRXNPFEDSA-N 435.513 1.620 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)c1 1760247609 IEAQKBNPRIYJNT-UHFFFAOYSA-N 433.516 1.706 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1760258356 UBUQCTLZJBVSAV-LJQANCHMSA-N 445.518 1.451 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)C2CC2)CC1 1760264714 WMMSBTOACJCBBG-UHFFFAOYSA-N 426.496 1.278 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760272388 IQMABAURNVOXSK-UHFFFAOYSA-N 445.593 1.710 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760351252 FNZDLOPLNZYPTF-SFHVURJKSA-N 441.536 1.871 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCS(=O)(=O)CC1 1760516570 QSGUUPQOAXLGOE-KRWDZBQOSA-N 447.561 1.572 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1760525034 RGGRTBPFDZQLAB-UHFFFAOYSA-N 428.537 1.877 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(Cn3cccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528776 MGZBHWBISUXXIJ-JOCHJYFZSA-N 443.552 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760552439 NUMPMGDCOONIEG-JXFKEZNVSA-N 433.534 1.325 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COc2ccccc2O1 1762301322 CPCJQQITLSGTSE-SJORKVTESA-N 440.504 1.765 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765388998 SCYSUGCITZWZFC-BSBNDGSWSA-N 441.536 1.567 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1767278355 DYYHBWUEPYAZPH-UHFFFAOYSA-N 425.493 1.621 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1769735995 NUJAMVUZXRYUER-FQEVSTJZSA-N 440.548 1.924 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCOCC1 1770413142 TTXWLWYCCAOXMS-SFHVURJKSA-N 426.521 1.795 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1771040849 ZUXFWFVETSJFCU-LJQANCHMSA-N 425.537 1.487 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)C)CC1 1771163321 VCEYMODAGPNTBO-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE N#CC1CCN(C2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)CC1 1849107189 NPANYYPKUNWPLA-UHFFFAOYSA-N 430.530 1.729 30 10 IDEE C=CCC1(S(=O)(=O)N2CCC(N[C@H]3CCCN(c4nccn(C)c4=O)C3)CC2)CC1 1853521959 WVCVLZMZYPJXRC-SFHVURJKSA-N 435.594 1.242 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 1858649050 XKGGTXGRGWCCEF-UHFFFAOYSA-N 448.457 1.707 30 10 IDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CCO)CCCC)cc1=O 1870385377 UVORUGFHFJDMDZ-UHFFFAOYSA-N 449.573 1.703 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCNC(C)=O 1870501360 QENOIFAJTLRZJW-UHFFFAOYSA-N 439.516 1.571 30 10 IDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCOCCO)ncnc21 1875230468 BELKBKNTDUVEPX-UHFFFAOYSA-N 431.493 1.017 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)CC1 1889599307 PJKSMAMPVODMGB-UHFFFAOYSA-N 441.544 1.526 30 10 IDEE CCN(CC)CCNC(=S)NN=C(C)C(C)=NNC(=S)NC[C@H](C)N(CC)CC 1933295878 FRIQDJQSKXJTNF-HNNXBMFYSA-N 444.719 1.739 30 10 IDEE C=CC1(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2020668032 GPPIRYRCYPWXFP-SPLOXXLWSA-N 441.525 1.011 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOCC1 2124520368 UQOMLZILWFKSOZ-UHFFFAOYSA-N 448.329 1.788 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2124542560 GUYYVFJVWQYQTG-HIFRSBDPSA-N 448.329 1.739 30 10 IDEE N#C[C@H]1CCCN(S(=O)(=O)N=c2[nH]cc(Br)nc2Br)C1 2164605156 YZNDJZQDXXKJSV-SSDOTTSWSA-N 425.106 1.316 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248445059 HMKYZXUAMLUTLA-RRFJBIMHSA-N 426.319 1.021 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2249527643 DNHOKXKZJRTIBF-UHFFFAOYSA-N 428.335 1.367 30 10 IDEE Cn1ncc(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255807870 YZRAVOVDZSVDPJ-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255822792 PRNSYWDCJAZEJX-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)n1 2255840039 HGXCRRGGZDJKNF-UHFFFAOYSA-N 435.334 1.101 30 10 IDEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139419 GFSXSPWZSPZUHO-NEPJUHHUSA-N 444.263 1.628 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2267221401 VBDJDJLBYGFVOY-ZDUSSCGKSA-N 449.361 1.490 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264313 PXBIWGBQTVHACG-SJLPKXTDSA-N 439.369 1.755 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 2267265000 ZDRSHLBNGWTEGC-DOTOQJQBSA-N 449.357 1.424 30 10 IDEE C[C@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267265210 BVINNMXSSODMRI-AWEZNQCLSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267276997 JYTSIMBYODDEBO-IEAZIUSSSA-N 448.325 1.989 30 10 IDEE Cn1cc(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267503059 XEMWOLIUEVERGD-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN(Cc2ccccc2)C1 2267543646 IXCOWPGIQKPTGO-GOSISDBHSA-N 439.369 1.851 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2267597200 OZEGKAJPDCBBCS-MCIONIFRSA-N 447.345 1.242 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073987 OHASDSBCNAWHMI-YOEHRIQHSA-N 443.309 1.508 30 10 IDEE CC1(NC(=O)OCc2ccccc2)CCC(O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367814857 KDLBVNIRRIAQNK-NLMOZGTASA-N 434.558 1.885 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)cn1 59914077 CQJPVOQUOQZRQB-AWQFTUOYSA-N 445.509 1.020 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 109937933 ZGUYGWFUYRBEMW-INIZCTEOSA-N 441.513 1.653 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(C)c1=O 447279004 FKLLRYMEGDZUOU-UHFFFAOYSA-N 447.289 1.468 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)NC[C@@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)C2)cc1 461947136 IZJKQMNINDVTMF-LEWJYISDSA-N 445.523 1.930 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 484692934 ZSFDIMDSOCLXQF-UHFFFAOYSA-N 448.529 1.442 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 508489905 AAAIDFFQPNNIGP-INIZCTEOSA-N 436.494 1.342 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522279933 LPLMDTHWJBAVLN-UHFFFAOYSA-N 430.511 1.434 30 10 IDEE CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 539632739 TVVQOIGIGYUEGB-HOTGVXAUSA-N 430.534 1.757 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC)c(=O)n1C[C@H]1CCCO1 553659772 FJTHFQSPRKLALD-QGZVFWFLSA-N 441.553 1.517 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1Cl 557862787 MVQBZTDICUIZSD-AWEZNQCLSA-N 425.919 1.953 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N 561546767 XGSWFUHYOAWTQG-GWCFXTLKSA-N 436.353 1.317 30 10 IDEE Cc1[nH]nc(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)c1C#N 571250913 AKAFNKDYFVESLE-YOHMEIMXSA-N 427.464 2.008 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 574368654 PNEJSBLBYULXJN-QGZVFWFLSA-N 439.488 1.638 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cn2)CC1 586779773 GYRRSEDCARYMBU-UHFFFAOYSA-N 443.504 1.844 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611618589 APDOOVNUYFSKOX-IBGZPJMESA-N 426.498 1.721 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1OC 614902971 QDYVQKOFPMBMIJ-MRXNPFEDSA-N 442.537 1.834 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)/C=C\c1ccc(Br)cc1 735082185 OMZNWHAKKUEOBE-LNPFXYPVSA-N 426.292 1.866 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 759807692 NTRGZVHVGAOAJK-UHFFFAOYSA-N 440.525 1.652 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)c1 774306530 XQNZPEBUDKRDDU-GOSISDBHSA-N 430.574 1.828 30 10 IDEE C#CCN(C(=O)N[C@@H](c1ccc(C(=O)OC)cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 776018740 DHGRHLFAPJFTTR-CABCVRRESA-N 432.420 1.909 30 10 IDEE C#CCN(C(=O)Nc1cc(Br)cnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 782064125 BBHZPIBJJBUYAS-ZDUSSCGKSA-N 438.307 1.684 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)CC1 782557271 WWRHNGVHCSAXGS-UHFFFAOYSA-N 434.440 1.008 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)n1 788695701 YNCWDEMQQGUPKE-UHFFFAOYSA-N 438.937 1.709 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 790220661 LMERCISVWXZGJV-TZIWHRDSSA-N 425.460 1.565 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)c1 794617095 NDNXRFSWFMJNTN-GOSISDBHSA-N 430.485 1.972 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)C2=O)n1 799140007 MTSZSKCUSLNEAU-KNCYDQBVSA-N 425.533 1.669 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)c1 803922480 LUFZCBSBRLLISZ-UHFFFAOYSA-N 425.416 1.850 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 812179417 NMDJIXKVQNKPRK-HOTGVXAUSA-N 434.541 1.830 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CCO1 813746825 UTTWJVXDRSTQIN-HSALFYBXSA-N 448.545 1.482 30 10 IDEE C/N=C(/NCCN1CCOCC1)NCc1ccc(I)cc1Cl 849095099 XEEGVBKHPAHZSY-UHFFFAOYSA-N 436.725 1.942 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1 1162948063 GUSBVQBGSRUYEU-LJQANCHMSA-N 425.510 1.377 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CS(C)(=O)=O)C2)n(Cc2ccco2)c1C 1176597193 FACXXRMPCCSDLT-KRWDZBQOSA-N 434.518 1.302 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 1191046336 XFNPLTUVEZKMHI-AWEZNQCLSA-N 434.543 1.594 30 10 IDEE C#C[C@H](CC)NC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1229531093 HPXNYUGIHIBASK-NJAFHUGGSA-N 433.553 1.975 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCN(CC)CC)c2ccccc2)CC1 1256405180 QGZWDGOGEKPVCF-HXUWFJFHSA-N 435.594 1.254 30 10 IDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CCOCC1 1264377700 PVSNJZCMAIJWJM-UHFFFAOYSA-N 431.436 1.647 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1286277450 YPMMXDBSYOHUHZ-SXWKCWPCSA-N 432.613 1.803 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 1286366172 WRZSHMCBIZRQBO-UHFFFAOYSA-N 428.562 1.527 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1286383267 WOCOBSRPHUSJQY-OAHLLOKOSA-N 427.958 1.576 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286392251 GKBWAULWFZPBTM-INIZCTEOSA-N 448.545 1.541 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)COC)CC1 1286482102 ZYBFSRUHXXBSJJ-GOSISDBHSA-N 437.610 1.388 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCCNS(C)(=O)=O 1286525181 MSTQJDAAEKMCRI-OAQYLSRUSA-N 441.561 1.448 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286549588 YBXYBBYUVCVEEH-LNLFQRSKSA-N 443.556 1.108 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1286613086 PYNAKCXQJIZUPL-FQEVSTJZSA-N 440.552 1.834 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1S(=O)(=O)N(C)C 1286731237 DYSOQMZMNWDAIR-HKUYNNGSSA-N 449.577 1.923 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286788788 GFYJHUDYWSCFCG-UHFFFAOYSA-N 425.537 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC 1286814393 RGYKXWSCFJRGOA-UHFFFAOYSA-N 425.942 1.918 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286950453 GDTWVDDHWWTXLM-KRWDZBQOSA-N 428.928 1.696 30 10 IDEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286953530 ODFZSMLTBAYHLX-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1288524484 DAQJYOZPKSYBRK-HOTGVXAUSA-N 430.534 1.947 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCCCO)C1 1288976576 AWNRYCULTUXQGA-QAPCUYQASA-N 427.596 1.426 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCOCCCO)CC2)c1C#N 1290577765 SOBQQQICNRVJKJ-UHFFFAOYSA-N 444.584 1.506 30 10 IDEE C#CCCOc1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1293032674 GGIUYDODMGKWKK-HNNXBMFYSA-N 429.498 1.754 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1293902565 LVAUKIXVRTUBGP-QZTJIDSGSA-N 438.569 1.285 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1297759313 DNSCEHUNNDRUAO-UHFFFAOYSA-N 442.549 1.516 30 10 IDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1298036471 AUPAACVVEGFLPL-LJQANCHMSA-N 444.561 1.304 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1300403796 PYVHCJRFACBCLC-SFHVURJKSA-N 433.516 1.803 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1300410708 PWNXUALQVKNLMW-RTBURBONSA-N 446.577 1.312 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1300457392 CQDPINPLUVKPIT-KSFYIVLOSA-N 430.553 1.940 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1300725546 ICADXRGIYYXBPP-HOTGVXAUSA-N 443.470 1.715 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1300916028 RYDXWMKKWVDNED-OAHLLOKOSA-N 440.595 1.827 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1300972614 NKATVKOSVZCUPY-UHFFFAOYSA-N 444.540 1.134 30 10 IDEE C#CC1(O)CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 1301218893 CXOMJGNVQUVDMQ-SFHVURJKSA-N 430.501 2.000 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301260318 ZGQVSNGTJITLNX-OAHLLOKOSA-N 432.550 1.529 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(CC)C(=O)C1 1301514486 JVGJRFCPCCWFLP-UHFFFAOYSA-N 442.520 1.227 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(C)C)C1 1301589321 QMZNTAISYULTHE-IAGOWNOFSA-N 444.623 1.653 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1302762558 SZLJTJJYOCTSKD-QAPCUYQASA-N 448.549 1.606 30 10 IDEE Cc1nccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1304703057 CDGDNGOSGSAICR-UHFFFAOYSA-N 449.519 1.547 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1314671748 UXWILCPOYXFIEP-UHFFFAOYSA-N 425.537 1.487 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 1314922608 FYDAJFRTFCAAOO-LPHOPBHVSA-N 436.438 1.651 30 10 IDEE COC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1315949622 CRPLFLNBKDGQEJ-QFBILLFUSA-N 425.493 1.893 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1Cc1ccc(C#N)o1 1316275239 KCODPVAMSULJGP-ZWOKBUDYSA-N 442.520 1.820 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1359023456 LCEYKMHLJSRBGU-INIZCTEOSA-N 445.907 1.788 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC2(O)CCOCC2)CC1 1359046733 DJQNNLYWAAAROA-UHFFFAOYSA-N 443.592 1.908 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359081505 CYFDPNWMBYCPQC-CJNGLKHVSA-N 434.342 1.801 30 10 IDEE CC(C)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1360152489 MWECLWISYJRXIK-RWNPKEDZSA-N 443.552 1.229 30 10 IDEE CC1(C)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCS(C)(=O)=O)C[C@H]21 1360798942 RTPIXKXWQXHHMO-HDICACEKSA-N 429.546 1.970 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1442474602 QOIIBYVMSSUXMR-GJZGRUSLSA-N 427.592 1.770 30 10 IDEE O=C([C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1465184771 RRAWKLFUCXECCY-MLGOLLRUSA-N 432.336 1.842 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 1466690678 RVLIPPJUUNODCY-OLZOCXBDSA-N 427.889 1.874 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1471564743 DFVPLBJLUMIZHN-UHFFFAOYSA-N 430.530 1.996 30 10 IDEE N#C[C@]12CN(CC(=O)NCCc3ccc(OC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1473851217 ZWWGOBPNVBSIJA-WMLDXEAASA-N 431.436 1.114 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@@H]2CCCO2)c1 1475711962 TXKHPNCLEFXLTN-UHOSZYNNSA-N 436.530 1.724 30 10 IDEE COCCO[C@H]1C[C@@H](CO)CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478900600 CFNKZSDBZXLLMV-IRLDBZIGSA-N 430.549 1.578 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1503727172 ZDLHGYQIZDWTHF-JOCHJYFZSA-N 425.537 1.357 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCO[C@H]2C)c1 1507550228 VKXDVYWQNFIAPO-HJPURHCSSA-N 447.499 1.331 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CN(CC(C)C)CCO1 1507618784 SOYNCFNTRTXNNM-QGZVFWFLSA-N 430.578 1.696 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507627251 CYNKEABNUHOLRR-HNNXBMFYSA-N 430.559 1.724 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1507678207 FFHCKDKOMSPKBN-JOCHJYFZSA-N 427.553 1.950 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 1507710676 JHEWKOLBBPERPQ-MSOLQXFVSA-N 449.552 1.852 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1507755750 CTGRCLPVNGRVBT-OAQYLSRUSA-N 429.546 1.934 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507783135 SMDFJAMAEJCXEV-MRXNPFEDSA-N 439.339 1.659 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1507820399 CHEKQDPGRVLTDJ-MSOLQXFVSA-N 440.614 1.355 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507847633 BFBILBMCLLFSST-LJQANCHMSA-N 433.553 1.798 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507883790 JEVAXLPTYDSECR-WMZOPIPTSA-N 426.496 1.869 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1507936364 CPOXXIXLDABAOE-UHFFFAOYSA-N 427.509 1.623 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1508091353 NGRLCAWLALHWCX-UHFFFAOYSA-N 428.541 1.212 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCOCC2(CC2)C1 1508131042 KGZLZYZJBDAMSC-UHFFFAOYSA-N 439.582 1.414 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513832862 KTTUIWZDMYTBRW-GJPOTBCISA-N 430.509 1.140 30 10 IDEE CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1517582720 GRLJZWNXOSMYJZ-QGZVFWFLSA-N 425.493 1.002 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1519330390 RNRCXAQYMCHWGG-QAPCUYQASA-N 438.492 1.564 30 10 IDEE Cc1c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C 1533084458 UNVMZSUIXOWXJQ-UHFFFAOYSA-N 433.468 1.248 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2(C)C)CC1 1539446627 HKJYHIOHDFBCNI-IRXDYDNUSA-N 437.635 1.467 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1539452950 ACUNZQBWLFJXPU-UHFFFAOYSA-N 443.555 1.769 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC(=O)N(C)C)CC1 1539461706 IYXUSDJEAFOVSO-UHFFFAOYSA-N 426.521 1.099 30 10 IDEE CC(C)n1ncc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1I 1539553275 HQOZHUNUUAAZJT-UHFFFAOYSA-N 426.218 1.919 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1539613073 UGLONWYPQYGDAB-AABGKKOBSA-N 446.596 1.652 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539998719 OAVZIKSUYBSCAD-PKOBYXMFSA-N 443.596 1.765 30 10 IDEE CO[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1540832371 MMWBRWNWFWRGGE-QGZVFWFLSA-N 431.468 1.871 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1541993301 NAZZUNDTKXCDOU-DLBZAZTESA-N 437.566 1.506 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CS(C)(=O)=O)c2)s1 1544487107 RVZZRZZJAJRDRL-UHFFFAOYSA-N 428.557 1.938 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1547643592 YOFALARYIKGRFL-IRXDYDNUSA-N 445.593 1.675 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1552872099 TUKJPTVVXKJGKJ-VQTJNVASSA-N 437.548 1.452 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1552885010 HIYUNMGKVRKWRM-SFHVURJKSA-N 446.577 1.959 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1555483652 KCONRJIVMKYNPQ-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCSCCCO)CCO1 1555994144 UVWRQCXONXVTAO-AWEZNQCLSA-N 441.517 1.438 30 10 IDEE C=C(C)C[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1558130156 BPSDDFKKSVTVCS-CFGKVWFZSA-N 429.517 1.914 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CN2CCOCC2)CC1 1566769674 MCTRSJGNXSUDPC-SFHVURJKSA-N 425.570 1.922 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccn4)CC3)CC2=O)cc1Cl 1583538264 DZCMUCGAVPYAKF-INIZCTEOSA-N 437.887 1.944 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c(C#N)c3N)cc2)CC1 1586390676 KLGJSAPPZWOXPY-UHFFFAOYSA-N 445.476 1.385 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1587656554 JMFZUTXDRPNBRP-QGZVFWFLSA-N 431.562 1.565 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1587989305 IWHSYYLUXLJTEN-LJQANCHMSA-N 443.573 1.486 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588055059 RWRNMSOUSIQFGK-RTBURBONSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC 1588138237 ASJTZEQKQYUABS-UHFFFAOYSA-N 428.537 1.602 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(N(C)C)CCOCC1 1588612444 GMTHCIIULWDFPA-UHFFFAOYSA-N 441.532 1.871 30 10 IDEE C=CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1594545987 WKBXDGWAAPXDHL-ICSRJNTNSA-N 435.532 1.990 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1)C1CC1 1595050663 MHIQZMJQKRYFHN-SFHVURJKSA-N 445.545 1.867 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595506807 NELVLWOYZPCKDY-ZDUSSCGKSA-N 441.916 1.663 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOc2ccccc2)CC1 1595550343 CUATVCZSLDILPK-LJQANCHMSA-N 440.548 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595778055 VDCXCZILAIBYDC-KRWDZBQOSA-N 449.552 1.990 30 10 IDEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c(C)n1NC(N)=O 1596419734 CTQSJMSCZSKGEL-QJOMJCCJSA-N 432.506 1.792 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(O)(CN2CCOCC2)CC1 1597311619 FQSPWGRQIYQFGB-UHFFFAOYSA-N 438.322 1.385 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](N4CCCC4=O)CC3)C2=O)cc1 1597352751 CGFGTACSTWFVME-HKUYNNGSSA-N 437.500 1.767 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]1CS(=O)(=O)C2 1597371495 DGXSQNAAJYLMMX-RTHLEPHNSA-N 432.227 1.507 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1597705670 CWBSGCPKMFVZBB-CQGGRAHPSA-N 449.602 1.987 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1614303592 LLCANLBULAGFTF-WMLDXEAASA-N 425.493 1.627 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CC(=O)NCC(F)(F)F)c1 1620348707 DBVZEZFWSUMILA-IBGZPJMESA-N 447.421 1.354 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2c(Br)nc3n2CCOC3)C1 1624820279 YDEJARDXOYHQME-QWRGUYRKSA-N 440.298 1.665 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)C2)C1 1626346375 UYFDJHCANZVNQX-NTJSKJDOSA-N 432.565 1.831 30 10 IDEE CN1CCC(O)(CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1629987669 SJYROPKWMHMHFS-IBGZPJMESA-N 428.533 1.965 30 10 IDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1631627423 CLFDRRUDKOTTGF-HUUCEWRRSA-N 442.394 1.161 30 10 IDEE CC1(C)CN([C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)CCO1 1633163890 AYQNYSHUXVRXMK-KRWDZBQOSA-N 445.907 1.442 30 10 IDEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C)NC2=O)c1 1637275858 URYIBYHXSAMITJ-KRWDZBQOSA-N 448.932 1.796 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)C2)nc1 1638906619 YSPSYPROGBRZCF-CQSZACIVSA-N 435.456 1.613 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2csc(S(C)(=O)=O)c2)c(=O)c1C#N 1648749738 AWJABNSPJZXAJP-UHFFFAOYSA-N 430.305 1.948 30 10 IDEE C=CC[C@]1(C(=O)NCCc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1651256486 KQJIPGXXIITSOI-OAQYLSRUSA-N 432.525 1.368 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1655416287 TVOWZFXYQUSGKG-NXOAAHMSSA-N 447.536 1.452 30 10 IDEE C#CCN1CCC(NC(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)CC1 1661870554 YLAMPNLUETZGKH-UHFFFAOYSA-N 435.370 1.815 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(N[C@H](C)c3ccccc3)CCCC2)CC1 1669043905 URRCNHWTSZEVIE-LJQANCHMSA-N 447.605 1.445 30 10 IDEE C#CCN(C(=O)NCCc1cc(OC)c(OCCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1672735228 XSHLNXFGCKGQLG-QGZVFWFLSA-N 438.546 1.867 30 10 IDEE N#CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1673935926 AZLYOONEXYZEMJ-UHFFFAOYSA-N 438.513 1.845 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1689848119 PGKBVCYHJQBMNE-WFASDCNBSA-N 434.460 1.040 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1689937365 XVGNIDGUENQTEO-ROUUACIJSA-N 442.589 1.840 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689978451 VYRXDBNUTGGRPN-JYJNAYRXSA-N 428.518 1.208 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1689979771 GWQQUFORPOUCTG-SJORKVTESA-N 436.534 1.579 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690189229 WFKJUDPMTQICNK-OTWHNJEPSA-N 446.577 1.470 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690316033 UBWJKKVUEAZTRD-FQEVSTJZSA-N 440.548 1.684 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1690523756 NPDTZFKMLLHQSG-UHFFFAOYSA-N 442.545 1.874 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1690607811 UVGFOBKFSVPZEX-KRWDZBQOSA-N 448.549 1.093 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1705533046 UHUFNYCBXZVGDZ-LSDHHAIUSA-N 436.538 1.711 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565756 JZRJPPMAHUVVQO-QZTJIDSGSA-N 430.530 1.488 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)C(=O)NCC2 1705603796 WAZRIDUIDISUQV-UNMCSNQZSA-N 447.539 1.799 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3sccc3C2)CC1 1705632076 HKQGSJXGJNLJKG-UHFFFAOYSA-N 441.605 1.291 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705761624 VHQSILXSSWHVAM-MRXNPFEDSA-N 445.549 1.363 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705896108 BUFWCMLGVQKEMN-XUVXKRRUSA-N 441.532 1.983 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1710824958 CXALYAVOZCEGJX-SFHVURJKSA-N 439.564 1.890 30 10 IDEE COCCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712382020 MOPBISGHCIEJIS-UHFFFAOYSA-N 441.584 1.364 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722357774 AGRJMKVQHGJHIS-VQIMIIECSA-N 425.624 1.466 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCOC2)CC1 1722445340 VHEDIGAKAJTPAT-ROUUACIJSA-N 433.553 1.395 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1722471809 RIOLSDGWMKDETC-XMSQKQJNSA-N 441.557 1.868 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1722502997 UYQSIXKPEFYLEB-QSNWEANLSA-N 434.537 1.911 30 10 IDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1722614530 QKHBCPWPVRBGAO-UHFFFAOYSA-N 437.504 1.855 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCOC2)C1 1722717427 JZERQFSMDNWPMX-VGOFRKELSA-N 430.505 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C)C1 1722727229 GZUKWLQHWWLZBC-CRAIPNDOSA-N 434.518 1.617 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740594560 QKLGASOHCKJEQE-UHFFFAOYSA-N 436.516 1.834 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1740627869 TTXAYGRCVCHHKN-ROUUACIJSA-N 436.578 1.616 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1740680155 SOQWJCJRUNAFCC-GCJKJVERSA-N 428.537 1.475 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)COCC)CC1 1740704913 WCSVVNQTBSEVEL-UHFFFAOYSA-N 427.553 1.707 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740713061 DDNWPPCGGCAPQP-GOSISDBHSA-N 444.582 1.947 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1740967146 YBULWTOZEPKQCR-QUCCMNQESA-N 438.532 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(C)(C)C)CC1 1740993311 XEWORHVGLHOWFF-UHFFFAOYSA-N 432.594 1.785 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1741131363 FHBXEGVJEZKGIP-ZHRRBRCNSA-N 437.552 1.526 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N1CCOCC1 1741468369 NCLFFEVYZNEYGL-INIZCTEOSA-N 425.537 1.732 30 10 IDEE CCN(CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1746155787 BBPGLBGBKCCVSI-QFBILLFUSA-N 425.603 1.750 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1748657587 FNHWJFLXFXTZQP-YCRPNKLZSA-N 425.514 1.501 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCC2)nc1 1748791491 UCLXSFNFOXTOPY-GOSISDBHSA-N 428.562 1.683 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1748824715 RZEGMBMCEBLNLA-HNNXBMFYSA-N 439.563 1.093 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1748859486 HOBJCHWHAPCALN-UHFFFAOYSA-N 430.505 1.894 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccccc1S(=O)(=O)N(C)C 1748902455 OZMZSHZVBHFDMO-UHFFFAOYSA-N 429.546 1.576 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)OC)CC1 1748987101 PSPSLVFNMNOXMH-UHFFFAOYSA-N 449.559 1.855 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2cnnn2C)CC1 1749003161 AFABNVBMAXYVJT-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOCc2ccccc2)CC1 1749014450 KCSUAIMPAWHKET-NRFANRHFSA-N 437.544 1.965 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1749354144 JUKMJLDGUIOZJD-KXBFYZLASA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749669396 KEASLHKLFFAHPR-CVEARBPZSA-N 434.541 1.530 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1749743998 CWKZHCDCORROSP-PMPSAXMXSA-N 430.644 1.726 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCCN2CCCO)c1 1750380870 ACVOJCQZJQLIRX-PMACEKPBSA-N 437.548 1.365 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1750385842 BMZLJPVJVILMKU-FUHWJXTLSA-N 428.468 1.009 30 10 IDEE Cc1nnc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)s1 1751868603 BSHJYZOOGYIRGC-BLLLJJGKSA-N 425.515 1.025 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCCC1 1760163243 PUSAGGPUMJAJBC-PKOBYXMFSA-N 430.578 1.795 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760187974 MKBPSLINFFXOAO-ROUUACIJSA-N 436.578 1.494 30 10 IDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCS(=O)(=O)CC1 1760494216 JRWSFWMKWUSEPS-UHFFFAOYSA-N 449.533 1.124 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1760520154 DKWRBBRDHZOWOM-UHFFFAOYSA-N 445.527 1.995 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1760526701 RUFLUHQUQLNGLZ-QFIPXVFZSA-N 426.521 1.478 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760548883 RJQUEIZFMPLHEO-CEXWTWQISA-N 439.626 1.939 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1Cc1ccc(C#N)o1 1764094611 PEGZVFKXRBEENJ-ROUUACIJSA-N 439.520 1.957 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1765740066 ZHOSLUFVJCFLAW-BBRMVZONSA-N 427.465 1.457 30 10 IDEE CCOC1CC(O)(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1766144423 ISBWABPKQGMKKI-UHFFFAOYSA-N 425.537 1.925 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2noc3c2COCC3)n1CCOCCCO 1768633341 FFUSHZCQVGYZOZ-UHFFFAOYSA-N 438.488 1.913 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1771304900 NHIPCVWRYRXOFM-SXLOBPIMSA-N 426.521 1.845 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1sccc1S(=O)(=O)N1CCSCC1 1772788014 IHSZMROGUNAISI-UHFFFAOYSA-N 438.508 1.854 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1772882235 UDXMPPYFXIGOLK-LFWLKJPASA-N 438.536 1.719 30 10 IDEE CC#CC(=O)N1CCN(C(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 1775941715 DBUSTOZECIUSPP-UHFFFAOYSA-N 426.473 1.771 30 10 IDEE Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCO[C@@H](C#N)C5)n4)ccn3n2)cc1C 1848500657 BLZLYANBFWRTMH-SFHVURJKSA-N 445.483 1.936 30 10 IDEE C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CC[C@@H](NS(C)(=O)=O)C1 1851547362 OLMYNDRMPGEDLK-DOTOQJQBSA-N 437.525 1.942 30 10 IDEE N#Cc1ccccc1N1CCC(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)CC1 1852974096 OZSFRVZONJYRHG-UHFFFAOYSA-N 431.562 1.259 30 10 IDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)C1CC2(COC2)C1 1853378249 AZPIAPVMFLEEDW-UHFFFAOYSA-N 429.484 1.912 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCn1cncn1 1857024852 WFGDTQVVXWFIPL-MRXNPFEDSA-N 429.502 1.513 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)cc1 1858300672 MULBCOWDULAGNC-SFHVURJKSA-N 426.498 1.453 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1(O)CCC1 2022938444 XKWILKYHBVFNRP-LSDHHAIUSA-N 438.525 1.766 30 10 IDEE Cc1csc(CN(C)S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1C#CCO 2156990497 PZGJIAKQSLCJEC-UHFFFAOYSA-N 446.550 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2248477473 JZXCYLZBKPAYNK-AWEZNQCLSA-N 444.359 1.324 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255658103 YRKGTSURMZYWCU-ZIAGYGMSSA-N 434.346 1.610 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]12CCN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255826911 SZPHGTAYKZDHRJ-OAQYLSRUSA-N 432.330 1.934 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2255826944 FMTAZDBFQCXYPQ-VHDGCEQUSA-N 432.330 1.837 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CC(NC(=O)C(F)(F)F)C1 2255932307 AHIUSDSXXILGTJ-UHFFFAOYSA-N 448.272 1.346 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267120597 MTGFCDIQIIIVHN-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2267187962 GDXWKIWEOWEIGX-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 2267482848 JIMUZRIYRANTEZ-RTBURBONSA-N 441.337 1.823 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267606455 XWGSBGJCGMJLQY-LZWOXQAQSA-N 444.341 1.761 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881285 YPGLXCYSAGLJTI-RRFJBIMHSA-N 444.341 1.761 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2269704371 RFUZVVNOWVRLGO-UHFFFAOYSA-N 449.357 1.648 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2299055700 KGZFKFOUZNSTMB-CQSZACIVSA-N 446.375 1.475 30 10 IDEE CC#CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)C(=O)OC(C)(C)C 2300545251 XIBXNMVKTIESEU-SJORKVTESA-N 439.553 1.981 30 10 IDEE COc1nc(N2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786233 ILCJWODQPILKKL-OAHLLOKOSA-N 449.357 1.807 30 10 IDEE C=CCn1c(=O)c(=O)n(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21 21728034 XQGSDPRJQZTOTL-UHFFFAOYSA-N 436.468 1.317 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 45632533 ICXOGDWPYPULRH-UHFFFAOYSA-N 429.746 1.961 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)cn1 59913969 IDZAEHBSPYAZDM-AWQFTUOYSA-N 429.510 1.320 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 460559169 ZCIHNUDZNHWJBE-GJZGRUSLSA-N 431.566 1.905 30 10 IDEE CC(C)CN1CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 465017215 XKTOPVDCJYYNDE-SFHVURJKSA-N 433.578 1.552 30 10 IDEE C[C@H]1[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC(=O)N1Cc1ccccc1 466797586 VOYBGSIJRCDLJZ-OXJNMPFZSA-N 440.525 1.798 30 10 IDEE COc1cccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 484985411 GZJFTRZPMJCLGX-UHFFFAOYSA-N 428.514 1.902 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 487510484 GCQZHIQRSOOTTC-FQEVSTJZSA-N 429.484 1.458 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501417547 LGMHWSNAPGHMBN-VQTJNVASSA-N 434.496 1.661 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 506911010 WGTIDGBOZXWZOP-GFCCVEGCSA-N 444.439 1.496 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2nccn(C)c2=O)CC1 509001095 LVXBBNMBQCKNKE-UHFFFAOYSA-N 437.504 1.569 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCN2CCOCC2)c1=O 524749280 HMSYJAUMMXNRCX-UHFFFAOYSA-N 429.542 1.262 30 10 IDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 533595768 AFOBWFHETARDSG-OAHLLOKOSA-N 435.506 1.052 30 10 IDEE COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 536305713 WYLNKAIPBQDOQH-KRWDZBQOSA-N 441.509 1.966 30 10 IDEE C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 541704057 WRSDWCWYWLATRA-OAQYLSRUSA-N 426.477 1.185 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCn2nnc(Cc3ccccc3Br)n2)nc1 561853850 JDEDADAIXGSORP-UHFFFAOYSA-N 433.291 1.767 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 603786364 LAMYNSKZABTNNT-UHFFFAOYSA-N 437.496 1.694 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H](C)c1ccccc1 727417901 LCDAGUAUNYXPHX-INIZCTEOSA-N 437.521 1.768 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 729335063 HEVGSNQSIQVNHI-IUODEOHRSA-N 429.325 1.995 30 10 IDEE CCc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn4ccccc34)c2=O)cc1 729669187 ZSFACRXOYJSRIF-UHFFFAOYSA-N 429.505 1.358 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671410 IXNZQAKWEICFIH-DOTOQJQBSA-N 436.537 1.855 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 734293969 VYRWLHIGAJKTEP-UHFFFAOYSA-N 441.918 1.889 30 10 IDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 735774359 XIQKEMHFCKQRHE-KRWDZBQOSA-N 447.469 1.732 30 10 IDEE Cc1cc(C#N)ccc1S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 740891843 VESIGDGHEUCMJC-UHFFFAOYSA-N 436.534 1.567 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 746232728 GAMOVLFNYSAHBE-QURGRASLSA-N 445.951 1.885 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 748065018 GDIDLSOHQJFIAS-UHFFFAOYSA-N 448.548 1.673 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1 763937664 NRPNNUMGLYCCBB-OVFHLDOESA-N 435.506 1.558 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1)c1cc[nH]n1 770825444 UBVSDITZQWYMFY-HNNXBMFYSA-N 431.474 1.234 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(N2C(=O)N[C@@H](c3ccn(C)n3)C2=O)c1 771920563 NQIZCLDXSRYZQV-LWJGVMBGSA-N 444.517 1.811 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CCS(=O)(=O)C1 780910252 ZZJVIWLBAKUJQD-IAGOWNOFSA-N 431.493 1.231 30 10 IDEE CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 798229275 NVNUQKVXNRHJFC-HSZRJFAPSA-N 434.500 1.899 30 10 IDEE CCOc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOC)CC2)n1 802531643 DGGPEJBFQPTKAB-UHFFFAOYSA-N 434.504 1.978 30 10 IDEE N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)n1 811251048 BNDJDMYNDRQFGK-ZROIWOOFSA-N 440.481 1.255 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811457866 ONJFEWYLBVDHTC-PBHICJAKSA-N 436.534 1.598 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CC2)c1C#N 813281649 GZZWCPHGMWIJMA-UHFFFAOYSA-N 445.448 1.974 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CCO1 813746821 UTTWJVXDRSTQIN-AABGKKOBSA-N 448.545 1.482 30 10 IDEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2cnn3c2OCCC3)CCCN1C(=O)OC(C)(C)C 816204338 BHEZKSPRNPQHBG-IBGZPJMESA-N 440.522 1.816 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(F)cc2)c1=O 917356809 SATPWVARGNQYDB-UHFFFAOYSA-N 439.516 1.416 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2cc(F)c(C#N)c(F)c2)C1 1155211144 YQUIKUXPQSQIQI-CYBMUJFWSA-N 443.472 1.877 30 10 IDEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(S(=O)(=O)CC3(CC#N)CC3)C2)nn1 1212074337 BYMOTFPVYBBGOR-MRXNPFEDSA-N 438.554 1.963 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC(O)(c3scnc3Br)CC2)C1 1255364110 OLQKMGHUSYELON-ZDUSSCGKSA-N 427.368 1.996 30 10 IDEE CCOc1ccc(NC(=O)c2cc(C)c(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 1264306787 VZMLKBWCFKWDEN-UHFFFAOYSA-N 430.486 1.934 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC1CC1 1286279260 LCERGUUTUKMAKX-OAHLLOKOSA-N 444.561 1.180 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1286375953 AYQYGTBDWKOEMP-SFHVURJKSA-N 439.582 1.420 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@](C)(O)CC)CC1 1286473482 MOAOSRIXEHSEFX-HSZRJFAPSA-N 443.548 1.887 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1286683709 XYQLJWHBIJKQNF-MRXNPFEDSA-N 427.571 1.630 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2C)C1 1286780746 PWIUHCYISBCRPT-SJORKVTESA-N 446.577 1.493 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1286787047 BGBNDILSSLJHKR-GOSISDBHSA-N 429.546 1.088 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286792065 LMZZSGPTQJABJZ-KSFYIVLOSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286823534 WAEDNAWYDTUGMD-UTKZUKDTSA-N 447.561 1.249 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1COCCO1 1287007499 DFJDTQWDFZFOQL-SFHVURJKSA-N 425.537 1.974 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1noc2c1CCCC2 1288815791 AGYVZNRJWQEZAL-CQSZACIVSA-N 447.565 1.933 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1288999222 KQMFVQZQIIAWSH-ZWKOTPCHSA-N 435.488 1.372 30 10 IDEE C#CCCN1CCN(C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 1292440507 WOZKYIBGBAIDHC-UHFFFAOYSA-N 426.521 1.578 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 1298583759 FHMRKLRFLAZEKY-KOETXDSWSA-N 435.424 1.185 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1300407756 CLJSIHSOTQWHRZ-IBGZPJMESA-N 435.532 1.403 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1300487117 GIAXHGOXAQMXLM-OAHLLOKOSA-N 429.481 1.003 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300498531 LJJHIICINCHVGX-DENIHFKCSA-N 446.548 1.796 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300732387 AYHONBDMDMHKEY-ZIAGYGMSSA-N 428.474 1.406 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1300937901 BNHCCTRRGCFPOY-FQEVSTJZSA-N 425.551 1.416 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300994459 UDYVNIQCXGXTSX-NRFANRHFSA-N 431.562 1.872 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301196497 CNWGFEZSGIBBFA-DOTOQJQBSA-N 437.570 1.649 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1301222720 DPOMQJZQHLTJAN-CVEARBPZSA-N 429.612 1.909 30 10 IDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301470144 PQYPHKLQBDRWHR-LJQANCHMSA-N 440.504 1.818 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1Cl 1301478106 IEJNVACJPCMMFZ-ZDUSSCGKSA-N 440.957 1.480 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301500396 LZVFXYJGJCDTGS-QZTJIDSGSA-N 432.569 1.463 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 1301501697 ZTKOVQPRISIAMF-OAHLLOKOSA-N 437.953 1.772 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNS(C)(=O)=O)C1 1301541936 GTTRVTXJTRMYCU-MRXNPFEDSA-N 436.494 1.184 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccco2)C1 1303934031 BTIIWSMZJQJIPP-NRFANRHFSA-N 425.493 1.667 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cs1 1304665883 IHHNTSSVUPKASQ-SFHVURJKSA-N 438.554 1.901 30 10 IDEE C[C@@H](CC(=O)NCc1cc(C(F)(F)F)n(C)n1)/N=C1/NS(=O)(=O)c2ccccc21 1304884538 SPWMTIMSFKGNGY-JTQLQIEISA-N 429.424 1.572 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 1305141753 DHQDDJUQKIYWAZ-SOLBZPMBSA-N 444.561 1.712 30 10 IDEE COC(=O)c1cc(S(=O)(=O)NCC2(C#N)CCOCC2)c(F)cc1Br 1309944925 BQVOVURLMGKWFX-UHFFFAOYSA-N 435.271 1.973 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1314504145 BFHIMJTXPWLUKR-UHFFFAOYSA-N 440.533 1.512 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1315997171 HFVROUFCVBDQSK-KRWDZBQOSA-N 438.532 1.962 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1316351480 DQHPDGATUBWVRC-UHFFFAOYSA-N 426.502 1.930 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1325220821 RFLZUZWWZNYETH-QGZVFWFLSA-N 438.546 1.908 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1358885526 LQUXRAXIUMRCDX-KXNSMUHISA-N 436.516 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@H](C)C1 1358985467 ZJANEFYNXLBZDB-UFYCRDLUSA-N 448.637 1.719 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359062888 XDUCSDFUHQYWCI-FHWLQOOXSA-N 435.594 1.721 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCO[C@H]1CCOC1 1359063671 APEGJEITRWOTPG-JTDSTZFVSA-N 425.555 1.076 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359122119 ZAODKPRTNWIKLE-ZWKOTPCHSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1359297950 HRDGBJQMOJEVFK-UHFFFAOYSA-N 447.503 1.656 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@@H](C)C2)C1 1359313133 HKWDLJKODBJGIK-LUKYLMHMSA-N 427.571 1.485 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1360338927 NLKDDQKBYISBAF-FCHUYYIVSA-N 430.553 1.927 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1 1434896356 UOGCFDUPNGPAFB-DHIUTWEWSA-N 449.555 1.329 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-n2ccccc2=O)cc1F 1437602293 DLRRZXQTYOOPSZ-UHFFFAOYSA-N 426.429 1.654 30 10 IDEE CON(C)C(=O)C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1450218147 NYWCXXZZLYDHCJ-QGZVFWFLSA-N 427.461 1.022 30 10 IDEE N#Cc1cccc(C2(NC(=O)CNc3ccc(S(N)(=O)=O)cc3F)CCOCC2)c1 1453582535 OEMCYGDUJKHTSE-UHFFFAOYSA-N 432.477 1.579 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1468880621 BWDPKZSUAVOIQR-ZWKOTPCHSA-N 440.525 1.583 30 10 IDEE N#Cc1cn(CCNC(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)c(=O)nc1O 1470361522 SSJPNNITRAAGER-UHFFFAOYSA-N 442.838 1.717 30 10 IDEE N#Cc1sccc1N1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 1473640684 GGMGZOHOKUDNFF-UHFFFAOYSA-N 440.529 1.999 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1499969350 FVHNHZMGZDXTRC-QFIPXVFZSA-N 426.521 1.948 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1503261841 GRCHPNYPKQCSBE-UHFFFAOYSA-N 444.561 1.592 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1503404728 OJWSMIVHCWAVHU-OAQYLSRUSA-N 449.559 1.973 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1503620355 VXWWWSQWPUXVTB-VQTJNVASSA-N 426.521 1.125 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1503806603 FPFAZEKIIIFKKJ-INIZCTEOSA-N 434.447 1.725 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1503880531 CLNHKUAMAJAAJG-CZUORRHYSA-N 442.863 1.867 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1505324738 ORVSIDWVZUMFIE-MOPGFXCFSA-N 429.569 1.596 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507732900 VBVSWBNIAJQCRX-JTSKRJEESA-N 445.951 1.806 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507839282 BOHWAZVTSINEFV-SFHVURJKSA-N 439.520 1.699 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1508089148 DRPYJAMEKYYFSB-HOTGVXAUSA-N 439.582 1.266 30 10 IDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1508826070 BUPBHPPRKOUCHU-NRFANRHFSA-N 425.468 1.943 30 10 IDEE CC(C)SCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1509891715 TYUOCFWMQPGWHH-KRWDZBQOSA-N 440.577 1.964 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC1CCOCC1 1513925399 VEYCXOXMSJKICE-QGZVFWFLSA-N 440.552 1.803 30 10 IDEE CCCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC)cc1OC 1514511504 AILBZDKQIDTEAZ-KRWDZBQOSA-N 442.520 1.997 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)CC)CC1 1516757308 XGCYCBKQIALMJF-PMERELPUSA-N 430.578 1.744 30 10 IDEE CNC(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1517605170 LWSQHGVDQMNYJE-IYBDPMFKSA-N 431.541 1.925 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3nn(C)cc3C#N)CC2=O)cc1 1524280923 FCMGFLISUUYERB-CQSZACIVSA-N 444.517 1.314 30 10 IDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C1CCOCC1 1529522387 VSFQUJRFFRJMLF-NRFANRHFSA-N 432.542 1.835 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](OCC)C(C)C)CC1 1539447424 RYWACXJJSKFJSA-OALUTQOASA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OC)c2)CC1 1539477550 QLTCZRYSKKRXAR-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539512922 HFFUMCHTGXRXTA-RTBURBONSA-N 445.637 1.200 30 10 IDEE C#CCSCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OC(C)C)CCOC1 1539531800 ZXYWNTLRJOFZQL-FQEVSTJZSA-N 431.566 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCC)CC1 1540866787 ADGXTTVQBDYHIN-UHFFFAOYSA-N 435.532 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCOC2)C1 1540907399 VLPNJBYHXQNHFU-FQEVSTJZSA-N 434.566 1.357 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1541807180 BIPOFCXISSIBGV-XUWVNRHRSA-N 431.541 1.923 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCC2)C1 1541990181 BDPCFTQLMXLELS-IBGZPJMESA-N 434.566 1.498 30 10 IDEE COCCN(CC(=O)OC(C)(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1543220708 YPKOIUQPYBOEMR-KRWDZBQOSA-N 444.488 1.580 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1545713447 SOAOHPFGGRTQGZ-MRXNPFEDSA-N 436.520 1.823 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1547355865 ACPMCOYJKOUCJH-MRXNPFEDSA-N 426.506 1.007 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CC1 1555808686 GELASKWTGRRTTP-UHFFFAOYSA-N 443.577 1.384 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C2)cc1 1557482738 QSXWUKOHOZNVJX-UONOGXRCSA-N 434.436 1.965 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCNC(=O)OC(C)(C)C)OC)ccc1F 1558825120 BXEIOFBACFICQQ-UHFFFAOYSA-N 431.486 1.818 30 10 IDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H](O)C(F)(F)F 1559950997 FEWMOXATZRKXKQ-ZBFHGGJFSA-N 434.484 1.329 30 10 IDEE C=CCN1CCC(NC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)CC1 1562774142 KOJYQOTXPLSVGI-INIZCTEOSA-N 432.521 1.766 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 1563619196 IFWUSQNTXKMXQT-CQSZACIVSA-N 431.493 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1565566927 NEPLRZXQRXWUKC-GOSISDBHSA-N 435.569 1.730 30 10 IDEE C[C@H](CCN1CCN(C)CC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1567821188 HVFVOXYHZGBZGN-OAHLLOKOSA-N 434.382 1.899 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1587638079 BGKDBQNRBLBUJW-QAPCUYQASA-N 433.534 1.126 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1587908983 ACWDHDHRINXICA-MRXNPFEDSA-N 444.561 1.128 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1593625460 ZCQZWMSYPHIVSL-HZPDHXFCSA-N 444.540 1.608 30 10 IDEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(C)(=O)=O)CC1 1594237774 VRAJZWAPSXDYTE-UHFFFAOYSA-N 445.593 1.899 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1O 1595577288 NWLOJDXCXBESQR-UHFFFAOYSA-N 440.529 1.914 30 10 IDEE NC(=O)C[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620365447 BJDPAGWTJAXIBK-DSGGYQJVSA-N 441.536 1.554 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 1624706020 CXOWVRIZJLDCHU-UHFFFAOYSA-N 432.440 1.769 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1628787123 QEXXMINUGAAGAZ-FDDCHVKYSA-N 441.532 1.875 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)COc1ccc(I)cc1 1631344484 OLRXMKDSYLRVAN-ZBFHGGJFSA-N 446.285 1.618 30 10 IDEE C#Cc1ccc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cn1 1636427475 AGFJSSHGADDEGH-KSZLIROESA-N 426.473 1.718 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 1643370102 QNCVQYSWMLJWMS-UHFFFAOYSA-N 446.392 1.294 30 10 IDEE C#CCC1(O)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1643513456 YWEOPYMWBKJZSF-UHFFFAOYSA-N 436.530 1.283 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1644596616 KMROGHYAURDJKM-KRWDZBQOSA-N 425.526 1.455 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1650791860 HOESASQPPKINFX-KBXCAEBGSA-N 438.406 1.893 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)COCCNC(=O)OC(C)(C)C)c(=O)c1C#N 1650978443 CCKADVZNBXFKLK-UHFFFAOYSA-N 443.298 1.711 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c1 1651779001 ZGBVGYUHNYIVRB-IBGZPJMESA-N 449.554 1.219 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(F)ccc2CS(C)(=O)=O)c1 1667722429 KOHFCTLLIFYVKC-UHFFFAOYSA-N 440.518 1.765 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)n1 1668983384 MYJIPRNKUFEZPS-UHFFFAOYSA-N 428.514 1.189 30 10 IDEE CN1CCC(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)(N2CCOCC2)CC1 1683146888 CSGWUOIFJYPGKK-UHFFFAOYSA-N 444.555 1.326 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1689985884 DOSNRNMYMAPSOE-AWEZNQCLSA-N 435.937 1.361 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1689999971 OFOMSSANYDHTOE-KRWDZBQOSA-N 426.546 1.478 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1-c1ccccc1 1690030367 SMGSQUWCTPEYEV-RXVVDRJESA-N 431.500 1.704 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1690154208 KCMWSNWBQZCUMZ-UHFFFAOYSA-N 433.607 1.874 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1690206467 RVKOEISLFCVHQH-DYESRHJHSA-N 435.594 1.821 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C#N 1690660772 OEBZEABCIIRZPV-CQSZACIVSA-N 444.565 1.445 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1690726458 ASYMUKHBUMROHJ-UHFFFAOYSA-N 439.582 1.890 30 10 IDEE CN(C)S(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1696624619 YNRFJOOWNRCYOB-SFHVURJKSA-N 444.561 1.368 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1698086076 WKEJOZKUBNZZHZ-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1698167744 JBGXEHQWROQOJR-FUHWJXTLSA-N 445.568 1.224 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705526530 LRDGMLYEHJGBKB-OAQYLSRUSA-N 444.561 1.311 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1705540528 CYXRFPKXWKCLKP-OAHLLOKOSA-N 435.937 1.366 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1705610935 KIFVPBPYVGCIKG-UHFFFAOYSA-N 435.532 1.907 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1Cc1cn(C2COC2)nn1 1705625207 ZZUXZNSWSLLNRR-UHFFFAOYSA-N 427.896 1.896 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1705625457 KZQVESIVHPPCFH-XMSQKQJNSA-N 427.480 1.814 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1705699718 KVOWHBPQPUOWDL-UFYCRDLUSA-N 447.580 1.742 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1705754575 BLENYFDFYKMKDC-OAHLLOKOSA-N 429.974 1.675 30 10 IDEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)N2CCOCC2)CC1 1705764491 AJRSCRCKLFZZSI-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705824725 YTGNXXOXGDSFCH-HSZRJFAPSA-N 446.596 1.641 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@H](C)CC)C1CC1 1705855062 UVYJPJIZTVHXCI-SYNHAJSKSA-N 441.598 1.563 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(F)c1 1705891014 UZNBSNIDOMOHBD-KRWDZBQOSA-N 439.513 1.581 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705902554 GYSPQFOFNZWKOI-GOSISDBHSA-N 440.552 1.208 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705904999 FWHDSQYDDRXZQS-IBGZPJMESA-N 439.495 1.412 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@H]3CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908948 XZZNUJWCOUSFJB-NPPFBWRTSA-N 433.553 1.484 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C1 1705966352 FZHLVMBLYCOOQM-XLIONFOSSA-N 439.564 1.983 30 10 IDEE CC(C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1706274508 JRTPWQONPQFGKI-OFXSGMSSSA-N 438.554 1.186 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1706747502 NJLHSYPWHYRPCN-ZBFHGGJFSA-N 438.579 1.654 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1712163961 ZZIFCGGUPGAWTP-QZTJIDSGSA-N 427.509 1.384 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1712616587 BEBIKYYXTPDDPV-LJQANCHMSA-N 439.520 1.520 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722316968 PHAPHDPHDAEANG-RDJZCZTQSA-N 434.566 1.024 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1722362039 RGPVQTYJTFREJX-GOSISDBHSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc(C)n1CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1722362666 BQCMGJRDHLXIFD-SFHVURJKSA-N 444.557 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1722399661 DWZAYZYJSNJCGO-DENIHFKCSA-N 429.590 1.453 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1722413035 HVFKKASFQHSNGF-ZDUSSCGKSA-N 437.488 1.659 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)n(C)c1=O 1722449957 WHNKQDMLVHXYFK-UHFFFAOYSA-N 438.488 1.147 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722479179 GEBXDIRJYZIQFD-GUYCJALGSA-N 444.330 1.942 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722700319 FFNPABKIXDDNGS-VSOVRNOCSA-N 425.533 1.777 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722730211 LPDZWTPPMFPDOO-SJORKVTESA-N 437.566 1.007 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722858623 RZJAXZWERRUKQI-HSZRJFAPSA-N 437.548 1.644 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2Cc2ccc(C#N)o2)n1 1726128267 WAFVAMFMMJYFNN-UHFFFAOYSA-N 436.520 1.957 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCS1(=O)=O 1729033332 HYPAEODKZOTRAZ-INIZCTEOSA-N 446.533 1.317 30 10 IDEE CS(=O)(=O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1731018628 AAEWJHMLNAHBBM-KRWDZBQOSA-N 426.905 1.513 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1740533816 UNRQCLLLLJFUHN-MELADBBJSA-N 436.607 1.976 30 10 IDEE C#CCCCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740596449 FZRITLAEROGLTL-PXNSSMCTSA-N 439.582 1.250 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC[C@@H]1CCOC1 1740607536 UZCFODJALZCJMY-KRWDZBQOSA-N 446.577 1.751 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740623846 BRQYTBNDKAKWAE-OAQYLSRUSA-N 441.601 1.989 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1740671229 BJJWOTWQISBTLS-OKZBNKHCSA-N 437.566 1.052 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1740684311 MQKNPDNQGJWMJT-UHFFFAOYSA-N 444.536 1.203 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740722617 KONRTWVKNSTWEN-LPHOPBHVSA-N 441.557 1.947 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1740951167 RJLQHEHVZMXWKH-UHFFFAOYSA-N 441.492 1.403 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1C[C@H]1C 1741925267 AUYXUHJCAMLRFH-MBNYWOFBSA-N 431.522 1.079 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1743384490 ONKUHECGNGCRJW-IVZQSRNASA-N 426.521 1.708 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1749669543 LSMILEDDMVBRBW-IRXDYDNUSA-N 428.512 1.938 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1749731843 MFGAJACYYCOFHB-JYJNAYRXSA-N 441.623 1.940 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760186804 ATAGFQDTMMHOKO-KRWDZBQOSA-N 429.546 1.580 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760187962 MINMIDWUQPEFCU-HSALFYBXSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1760187999 MSHUMDYPEJFLGP-SFHVURJKSA-N 433.578 1.575 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1760205505 CLRRTUOBCINPNQ-DLBZAZTESA-N 426.498 1.093 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ncccc1F 1760207247 BYCKTFFLHDTUMA-UHFFFAOYSA-N 438.488 1.956 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NC(C)C)CC1 1760257982 DAQXEFNVOZAJNX-UHFFFAOYSA-N 445.365 1.987 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(C)noc2C)CC1 1760266018 OCVDGEFSZQONCB-KRWDZBQOSA-N 444.536 1.621 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1760355576 OQQWLLPKCXHBQI-CQSZACIVSA-N 425.493 1.887 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1760554271 XSZREOYODHKYGA-HNNXBMFYSA-N 436.538 1.841 30 10 IDEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760565347 VAIROCWMZJURMV-UHFFFAOYSA-N 434.610 1.446 30 10 IDEE CCN1CCN(CCCCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1765567583 HPZHGRZJTUGXQI-OAQYLSRUSA-N 438.580 1.410 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1768888795 IBTUXUGWQWJTLZ-ROUUACIJSA-N 426.521 1.529 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)CCO1 1769253410 SSUPKOQOEPDSAU-SFHVURJKSA-N 442.426 1.611 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)C[C@H]1OC 1770664018 DCDRJIWGXZWRES-ZRNYENFQSA-N 427.505 1.718 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2CCCO)CCO1 1770748069 WLADAPWDPQHAKB-MOPGFXCFSA-N 441.492 1.429 30 10 IDEE COC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1770958805 UYKKLUNCRXKIJC-SFJAUFLASA-N 446.552 1.633 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)cn1 1771122495 DKFNGXJELXBHAA-IBGZPJMESA-N 435.488 1.707 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1771364955 LFEZHXBTZVXMOY-UHFFFAOYSA-N 446.577 1.745 30 10 IDEE C=CCN1C[C@H](C(=O)N[C@H](C(=O)OC)c2ccccc2I)CC1=O 1850738422 GUNIRMKIWKHHII-ABAIWWIYSA-N 442.253 1.656 30 10 IDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)OC[C@@H]2CCNC(=O)CO2)CC1 1850862263 PWWLMDBOXWBXGJ-KRWDZBQOSA-N 426.448 1.910 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)Cc3ccc(I)cc3)CC2)n1 1851382859 IMKIHCFKEYOXQN-UHFFFAOYSA-N 433.253 1.844 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)C(=O)C2)C1 1853698303 ZYGDWWNMJHQPSO-FQEVSTJZSA-N 433.574 1.313 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCN(S(=O)(=O)C4CC4)CC3)CCC2=O)cc1 1856638745 ZPTROIGIMUAQBB-KRWDZBQOSA-N 430.530 1.047 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(CC)cc2)cc1 1858963340 HGBMBHZUNWNUER-UHFFFAOYSA-N 430.482 1.992 30 10 IDEE Cn1nc(C(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)cc1-c1cc(F)ccc1F 1867101705 VYAOWIASTMJZJE-GOSISDBHSA-N 425.395 1.966 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC)cn1CCN1CCOCC1 1870331670 MGKCTHWDBFHJRZ-UHFFFAOYSA-N 433.549 1.687 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C2(CN)CN(C(=O)OCc3ccccc3)C2)[C@H](C#N)C1 1891845542 KKSNBVYSEKGFRB-GOSISDBHSA-N 429.521 1.781 30 10 IDEE C=C(CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247901558 MDMKZEYSWSECQB-ZDUSSCGKSA-N 440.293 1.894 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2247950247 DARGKWANSGNQGJ-UHFFFAOYSA-N 444.334 1.928 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248439419 KGMVBXBSWIFGJS-ZDUSSCGKSA-N 441.359 1.334 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545058 KHSZZRBELMBIFQ-CABCVRRESA-N 436.314 1.679 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255698430 IRHJPDKOAGYNMU-RDJZCZTQSA-N 425.342 1.365 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255882103 JEYIUFSIKIBTJP-VHDGCEQUSA-N 430.314 1.513 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c(O)c2)OC1(C)C 2255938238 ANRWZWSIUFMDDG-UHFFFAOYSA-N 428.216 1.442 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2259345095 CGYYUAFMACQDTN-DZGCQCFKSA-N 432.330 1.809 30 10 IDEE CN1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](CNC(=O)C(F)(F)F)C1 2266065617 KCPIXJNNOJUMFJ-GFCCVEGCSA-N 446.254 1.319 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267182590 AJYJLYGDVQHMSY-DRPJVOAASA-N 448.325 1.989 30 10 IDEE Cn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267196234 CTGFBIXEZOGCMJ-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)n1 2267504866 ZEWRASDNOICOTN-UHFFFAOYSA-N 447.341 1.713 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 2267598454 AGFQKZAHDBLZJO-UHFFFAOYSA-N 449.357 1.426 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267876689 OPIOZCWJNUVAKX-FPTDNZKUSA-N 444.341 1.905 30 10 IDEE Cc1nc(NC(=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268642315 FBFYOFWXIVXUMM-OAHLLOKOSA-N 449.361 1.478 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304807791 ANOCFVKLUGYAFJ-CYBMUJFWSA-N 425.310 1.842 30 10 IDEE COc1[nH]c(=NC[C@@](C)(CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317503080 JLPWZPDZTVLWCS-NRFANRHFSA-N 437.346 1.499 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2334269253 MIFGTHYMYQKPPT-FMKPAKJESA-N 446.357 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2337196977 QYBWFYGLOYJLBT-CABCVRRESA-N 446.357 1.801 30 10 IDEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339784704 DTWCFBGCTBSHSW-HZPDHXFCSA-N 449.357 1.594 30 10 IDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2367809210 LAOJEIVLVXCHMD-KNQAVFIVSA-N 434.558 1.709 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccs2)[C@H](C#N)C(=O)N3)CC1 101442471 YLACLKCNHLRSAV-JSGCOSHPSA-N 427.486 1.835 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 109355520 SUPCSINHCBJRTM-OAQYLSRUSA-N 444.495 1.078 30 10 IDEE CCOc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OC 252639006 YHHMJPMMXHSBTK-UHFFFAOYSA-N 443.508 1.398 30 10 IDEE C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 438749129 UDEZPUYJUCIILQ-UHFFFAOYSA-N 447.565 1.117 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)cc1 440329340 VOWDQEZDBMHUSR-IBGZPJMESA-N 438.459 1.944 30 10 IDEE N#CC1CCC(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 441137597 SUUNBKJVWCIXQO-UHFFFAOYSA-N 446.573 1.746 30 10 IDEE COc1cc(N2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2)ncn1 446638108 MLODBXNBGIFUBJ-UHFFFAOYSA-N 437.504 1.974 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccccc1C#N 478846914 XRGPBYMTRSAMPH-UHFFFAOYSA-N 446.536 1.577 30 10 IDEE COc1cccc([C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 484817210 SSEIUTMFESBIFU-QRWLVFNGSA-N 429.498 1.834 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 497576487 KAVRZRLKSLVEKL-UHFFFAOYSA-N 440.569 1.145 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 503391702 CPNPFRJZQCSXNJ-OAQYLSRUSA-N 444.492 1.900 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 509016450 ZXRYVCDZRBVLFP-ROUUACIJSA-N 438.598 1.109 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1 512710534 UWSLEGOYACPUEI-GOSISDBHSA-N 448.951 1.400 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)NCc3ccccc3)cc21 526841029 UBWKGAJWPVGZPC-PMERELPUSA-N 426.494 1.846 30 10 IDEE N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)c2)cc1 542598327 GKKMVRSCNCPKOZ-NRFANRHFSA-N 434.496 1.813 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 547315823 XBOODUCRWQXHPS-UHFFFAOYSA-N 425.510 1.300 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)n1 548984275 PALCMTLJGXDPIO-UHFFFAOYSA-N 448.936 2.429 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1 555469731 QPKOTMNMEMGCSK-NRFANRHFSA-N 449.559 1.810 30 10 IDEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccn(C)c2=O)CC1 558978143 ARLJHYDWVNIJIT-UHFFFAOYSA-N 435.532 1.874 30 10 IDEE CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 582868293 YNNNZMRLZFFGNH-UHFFFAOYSA-N 434.543 1.648 30 10 IDEE CCN1CCC(CCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 588200594 RWUNOXMMXGQKRC-UHFFFAOYSA-N 428.537 1.310 30 10 IDEE C=CCOC[C@H](O)Cn1c(N/N=C/c2ccc(OCC)cc2)nc2c1c(O)nc(=O)n2C 606630107 JTXMAQVJEDXAAN-XHADFYDMSA-N 442.476 1.244 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(c4nnc5n4CCC5)CC3)C2=O)cc1 617036184 CRVJPTJXJKARMV-IBGZPJMESA-N 433.516 1.786 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCc2nn(CC)c(=O)cc2C1 669817991 IOKITMVYCQDSBF-UHFFFAOYSA-N 447.547 1.777 30 10 IDEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC1CC1 730137097 CXGLXVFYIBFMNY-GOSISDBHSA-N 445.589 1.527 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 732152760 AIPUASBAQNSJPM-UFZXGQNFSA-N 437.283 1.989 30 10 IDEE COc1cc2ncn(CCCC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c(=O)c2cc1OC 732650450 ROTCZIXPYSVVTF-MRXNPFEDSA-N 425.489 1.393 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)N3CCS(=O)CC3)ccc2c1=O 733971599 GXKGMCUBFAYWQQ-UHFFFAOYSA-N 434.587 1.444 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 746758772 AGBOKGJVUWUMRD-QURGRASLSA-N 439.516 1.293 30 10 IDEE COC[C@@](C)(CO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 751542100 CHPPPHBTYUKDFO-ACXJOVJBSA-N 426.539 1.799 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(-c2ccc3c(c2)OCCO3)c1=O 758052723 HEPFGDDQBXYZQY-UHFFFAOYSA-N 446.444 1.913 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 766697414 IZDGGNUZEMODAD-AWEZNQCLSA-N 441.465 1.458 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)cc2OC)c1 771532328 SUZOPQOUZMGCDT-LJQANCHMSA-N 446.481 1.259 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1C#N 782019744 BKAQBERARNIMQI-AEFFLSMTSA-N 449.916 1.661 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@](C)(O)CN2C(=O)C(C)(C)c3ccccc32)n1 790105670 VGQZCWNOANDJBM-XMMPIXPASA-N 438.528 1.567 30 10 IDEE C=CC[C@@]1(C(=O)NCCNS(=O)(=O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 790800733 PBZSCIXJDXSQBG-FQEVSTJZSA-N 438.550 1.822 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 794648117 XGFYTGACDLGJCG-MRXNPFEDSA-N 437.521 1.062 30 10 IDEE CCOC(=O)c1cc2cc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc2s1 795099919 DGFHUJQCUJLHMH-ISLYRVAYSA-N 449.510 1.883 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1 797429490 RYLZSQUORZXRFQ-RGEXLXHISA-N 431.927 1.687 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 802475661 GQHGCFBJRWQSDF-NRFANRHFSA-N 437.544 1.908 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 808113250 CBQHBNOODKVALQ-AWEZNQCLSA-N 431.470 1.667 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)cc1C#N 813703572 ZIVOAJKUJOCMPX-QGZVFWFLSA-N 446.533 1.978 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O 816748798 RYSHUVJBGHRTBL-KKSFZXQISA-N 435.484 1.759 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 858069604 MZTXRUGOKLUSBV-MRXNPFEDSA-N 426.498 1.677 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Oc3ccc(OC)cc3)n[nH]2)cn1 1084332295 SCCGMCXJAKUYLS-UHFFFAOYSA-N 431.478 1.800 30 10 IDEE CC[C@H](C#N)N(CC)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1134208347 GFXBQWJWMOFVEV-CQSZACIVSA-N 432.502 1.726 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 1135981884 BSYNEGGIHVAHQG-SFHVURJKSA-N 431.493 1.095 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)CC2)cc1 1136149363 HOODZTBQDDZDJK-UXHICEINSA-N 426.498 1.564 30 10 IDEE C[C@H](CC(=O)NCc1ccc(N2CCNC2=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1153351452 HLAVSKPSPSNZEU-CQSZACIVSA-N 441.513 1.350 30 10 IDEE COc1c(F)cc(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1S(N)(=O)=O 1171272039 VYBJICAAOUZGRM-UHFFFAOYSA-N 447.488 1.718 30 10 IDEE Cn1nnc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1C(F)F 1179986654 KOWIXOWFXFXSAE-UHFFFAOYSA-N 426.449 1.990 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2nc3ncccc3cc2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1187792247 KJLYOSFOWVICCQ-CVEARBPZSA-N 429.502 1.724 30 10 IDEE N#C[C@]12CN(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)C[C@H]1CS(=O)(=O)C2 1246123038 CBJUSOIXINIUQR-HNAYVOBHSA-N 438.937 1.256 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286461695 VPQZCSLDLIAJRL-KDURUIRLSA-N 446.596 1.488 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C 1286527490 DGHPNAPYTCHHAK-HTAPYJJXSA-N 442.589 1.982 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc2O1 1286727733 YLLFHCMSGMWOAJ-QAPCUYQASA-N 449.533 1.073 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccccc2CC1 1286818379 HJYVMYMOUGZATH-UHFFFAOYSA-N 426.546 1.885 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286819906 ZCPJBRMCPYOTSU-UHFFFAOYSA-N 445.611 1.007 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)n(C)n1 1290570383 GUXPGEBGWJLBLV-UHFFFAOYSA-N 425.518 1.388 30 10 IDEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1(O)CCS(=O)(=O)CC1 1292914960 ATUXRZDFNRJFDY-UHFFFAOYSA-N 441.557 1.946 30 10 IDEE CC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)N1CCOCC1 1294334867 TYSKWQLTBGHTLF-JBLFJGJOSA-N 434.537 1.527 30 10 IDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1296593791 OOLTYTGSBZJXEY-FUHWJXTLSA-N 438.322 1.694 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1299031538 ZKIOEINKRQHKQO-WLBHNISZSA-N 443.552 1.356 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1300308929 RFOBQZSQDLBDGN-IAGOWNOFSA-N 446.577 1.442 30 10 IDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300352845 DIRWQEWUSGOYCD-UHFFFAOYSA-N 430.516 1.964 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1300511363 HVHPLLJADHCDNA-UHFFFAOYSA-N 441.293 1.320 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC(O)CC1 1300596264 NVGZVUIJRYXDEK-FPOVZHCZSA-N 429.565 1.312 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C)c(C)s2)CC1 1300723204 QIQUITKUWJKPIM-INIZCTEOSA-N 441.561 1.317 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1300992442 ZNRLHFGFZWXORI-GJZGRUSLSA-N 430.475 1.895 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1)OC 1301002174 DGSZGMXHAOTCMS-FQEVSTJZSA-N 436.520 1.986 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1301173106 CFHDUKBNMSTIER-UHFFFAOYSA-N 433.538 1.363 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(C)(=O)=O 1303420274 ZKBROECTZVKSMC-SJORKVTESA-N 430.534 1.204 30 10 IDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1 1303721361 CVMFTRJKXXGKTB-NUJGCVRESA-N 431.518 1.376 30 10 IDEE CCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1306171806 VJOZQVVRDQNGQT-ZJYNUGOYSA-N 429.525 1.108 30 10 IDEE CN(CCC#N)C(=O)CCN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1307913606 LUIBQUVXTQGHNO-ZFWWWQNUSA-N 434.459 1.602 30 10 IDEE C#CCN(C)CCCNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1312700809 WHOBHYZQMUYAID-UHFFFAOYSA-N 427.593 1.612 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1313752227 CUOJTLCCWIQJGU-OAHLLOKOSA-N 429.506 1.453 30 10 IDEE CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1314486706 OAWKHSWFSXJUHN-DLBZAZTESA-N 426.525 1.585 30 10 IDEE 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C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSc2ccccc21 1689966188 MOYCINQMRVPMMW-DOTOQJQBSA-N 447.586 1.570 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1689980801 XSOIXGYDGUKLHY-UWVAXJGDSA-N 439.651 1.856 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690154570 RXPQEPDTBGDEAF-HNNXBMFYSA-N 444.527 1.953 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690179453 ZTOXGOKJJNBWHW-LJQANCHMSA-N 440.573 1.458 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690300575 FPICSWFQPQDPLP-HOTGVXAUSA-N 437.570 1.208 30 10 IDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N2CCSCC2)CC1 1690408375 HJKGHWDRHHVKNE-UHFFFAOYSA-N 449.606 1.516 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1690514972 BPUXBNPSGDVLGY-ASHKIFAZSA-N 425.580 1.437 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1691007145 UHHIKZMKJAWGJD-ZBFHGGJFSA-N 435.492 1.101 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1691435348 LRNZOQZTTFNRCG-SFHVURJKSA-N 433.520 1.735 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCOCCS(C)(=O)=O 1696689706 XXIPTOACFWZQEQ-SFHVURJKSA-N 433.534 1.351 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1697011634 RTNBIWFEEBSSST-IBGZPJMESA-N 439.520 1.474 30 10 IDEE COCCN(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1698028421 DSUPZQGZFGZERO-NRFANRHFSA-N 430.484 1.736 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705567507 YETIWTFUXXZDHZ-KRWDZBQOSA-N 425.518 1.057 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1 1705587760 HWXNKAKJZZHGFA-UHFFFAOYSA-N 441.557 1.472 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 1705643072 RAWPTVJXSXPVET-NRFANRHFSA-N 431.924 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(O)(CCC)CCC)CC1 1705647873 NXDCJISQJFKWKB-SFHVURJKSA-N 444.580 1.526 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN(C)CC(F)(F)F)CC1 1705652943 SPIUNAPHCPQIDC-UHFFFAOYSA-N 430.475 1.275 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2cnccn2)CC1 1705684771 BJQOXFKEIOHLFT-UHFFFAOYSA-N 428.298 1.760 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1705688590 SMSMCMCYIAQFLQ-LBPRGKRZSA-N 448.387 1.440 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1705717880 UGZHSXJPRRXNST-VQIMIIECSA-N 427.571 1.583 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705727874 FXRDKBYUTDZJHU-UHFFFAOYSA-N 431.585 1.357 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705830061 IQKQNGBYGVRYMU-IRXDYDNUSA-N 434.566 1.500 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705877638 CBSMSSXOHLHUCS-SIKLNZKXSA-N 446.573 1.567 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCOCC1 1705883834 XAXKVZLMCJSOFA-INIZCTEOSA-N 432.525 1.365 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)C1 1705917466 WQDBREGEPPXYCZ-GOEBONIOSA-N 436.538 1.122 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1705918352 HRNBKHAWWYAWPL-YOEHRIQHSA-N 428.468 1.854 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705925704 SRHCPTRUAVUJHU-OVGZCAFISA-N 442.520 1.480 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCO[C@@H](C)C1 1705938742 IJHDMHPAQFVPOE-ULQDDVLXSA-N 428.555 1.218 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1706069410 CCJOSMYFZLIBNJ-MRXNPFEDSA-N 426.525 1.632 30 10 IDEE CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)COC1 1706162272 VSFBRSVJRKPTFQ-HOTGVXAUSA-N 448.524 1.195 30 10 IDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1706710321 HWZIEFCYMOBAQN-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE CC(C)N1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1706884187 WANQYUZEXRFQLI-OAHLLOKOSA-N 435.554 1.322 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cs1 1707744744 BYLBBXYPNPPRKY-ZFWWWQNUSA-N 437.595 1.511 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1710893994 ZQWGDGCFAMRVBA-UHFFFAOYSA-N 442.549 1.516 30 10 IDEE CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1711109558 ABNLIAYGIPXDRX-HXUWFJFHSA-N 435.488 1.961 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1712595992 MOIWWHHVXSOWJF-IBGZPJMESA-N 440.504 1.901 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)CC2)nc1 1712881399 SENSLYVQNPIOGN-HNNXBMFYSA-N 446.462 1.104 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)NCc2ccco2)CCO1 1712886167 KOKQVMUJNXJDEF-INIZCTEOSA-N 440.435 1.634 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccco1 1722298230 ADVARVGIVMSIDK-AWEZNQCLSA-N 426.502 1.751 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722316728 LWQMOHFWRHUXIO-SFHVURJKSA-N 446.577 1.602 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1722361046 DWTSFHAANYKIPM-GOSISDBHSA-N 432.546 1.543 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1722371271 IKOLJXCKYJYVLN-MRXNPFEDSA-N 439.607 1.169 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1722380616 RVOBVNSGNSCDEZ-UHFFFAOYSA-N 442.483 1.453 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722381100 HSFAJYVMANWDHR-MSOLQXFVSA-N 440.548 1.949 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCO[C@@H]1C 1722427163 QDRZBEOUCYTNRY-GTCCEBARSA-N 428.489 1.417 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722433581 AQRXXELQWBXCDU-QUCCMNQESA-N 440.504 1.660 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)(F)F)CC1 1722446986 FYRGKZBSIANKFS-HNNXBMFYSA-N 443.520 1.191 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722452901 MBBLARJCJKEACR-BTYIYWSLSA-N 448.593 1.886 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722479177 GEBXDIRJYZIQFD-DYVFJYSZSA-N 444.330 1.942 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722607580 DVJCQRGTSVRFOJ-NRFANRHFSA-N 429.525 1.295 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722698295 YCGQXOQWSBKMCJ-UHFFFAOYSA-N 447.543 1.477 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCS(=O)(=O)C2)C1 1722709615 UIMJZOVKDSRHIC-HZPDHXFCSA-N 425.555 1.022 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccn(Cc2ccccc2)n1 1723619710 AYAWQNIEWRNDAB-LJQANCHMSA-N 434.504 1.438 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1740716899 CZRPYAMAYZIYKW-LJQANCHMSA-N 427.530 1.826 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740884662 IGXIWASRHBADRA-GOSISDBHSA-N 449.581 1.276 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1743349153 DHWCICDIBGIVKP-AZUAARDMSA-N 440.548 1.801 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1745879722 CRSRWDZPNNYGMP-UHFFFAOYSA-N 447.499 1.850 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747584242 VAHKEOYHQRFFGA-UHFFFAOYSA-N 433.520 1.858 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1748666627 FFAWKZTUOWSDSY-UYAOXDASSA-N 436.564 1.294 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1748817717 OVSJLOCBXZXQSL-ZWKOTPCHSA-N 432.521 1.905 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1748819072 JYDXMJNQOSJXEZ-GOSISDBHSA-N 447.536 1.113 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1749557849 NDFOHAMCVMKGOO-IBGZPJMESA-N 447.609 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749721781 TYWGSPABCWUWII-HNNXBMFYSA-N 437.570 1.577 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1750215164 QHJGANZVZRZJOW-MOPGFXCFSA-N 444.561 1.761 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N(C)C)nc1 1751209564 GHLGPAOQVSZCMK-AWEZNQCLSA-N 432.554 1.138 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760183688 QODDZLCAICOSAC-IAGOWNOFSA-N 434.518 1.279 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1760211601 KFVNKDZLMRVHBL-QFIPXVFZSA-N 441.557 1.885 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760242886 RHBAEBUOBYSQHW-MSOLQXFVSA-N 437.610 1.866 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1760316447 SDEVSZVSVVVIDO-CLWJZODNSA-N 436.582 2.000 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCOC1 1760554230 WJSJINRLZJEMSJ-CQSZACIVSA-N 437.522 1.079 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1761546925 LRGGXROKGZVDJV-QZQOTICOSA-N 446.515 1.920 30 10 IDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cn1 1765325331 DTTQTRQWPBEZIR-FQEVSTJZSA-N 434.504 1.423 30 10 IDEE CCOCc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N2CCN(CC)CC2)nc1 1766225534 JLQPZURCHVUYMD-SFHVURJKSA-N 426.569 1.996 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CC=CCC1 1766408438 BKZTWMCYXOAOEI-SFHVURJKSA-N 437.552 1.453 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1766959313 IVEPLZXHWPZYSY-UFVMTTLYSA-N 433.472 1.568 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1CC 1768171949 IJNYRIPBTIZALR-FQEVSTJZSA-N 439.564 1.842 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOc2ccc(F)cc2)CCO1 1770751754 MFTRFGYNVWRGPF-SFHVURJKSA-N 428.468 1.737 30 10 IDEE COCCN(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771076688 OQQFSWSRPHFUTE-AZUAARDMSA-N 431.585 1.317 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851158649 CFUKOIBRVQDIEU-LLVKDONJSA-N 433.408 1.919 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)cc1Cl 1853772399 RYTMSTVONOMGAD-UHFFFAOYSA-N 433.873 1.894 30 10 IDEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)[C@H]1C 1854313846 XNOWUBKDDIWODH-OAHLLOKOSA-N 425.576 1.784 30 10 IDEE C[C@@H](CC(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1ccnc1 1856305941 FGOMYSOQIRTIPI-IRXDYDNUSA-N 426.546 1.713 30 10 IDEE COCCCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858965046 KMBKILVLWHHSSS-UHFFFAOYSA-N 431.470 1.940 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCCO2 1862608535 PYIXUPUTDZJLFA-SFHVURJKSA-N 425.393 1.727 30 10 IDEE C[C@@H](O)CNC(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932290 ZINLIYHKSDKWCU-RHSMWYFYSA-N 433.555 1.524 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCC)cn1CCCN1CCOCC1 1870682725 DOAAPUPCHMGXQQ-UHFFFAOYSA-N 446.592 1.650 30 10 IDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706955 PILXAMFFXBZREI-UHFFFAOYSA-N 433.469 1.073 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc5nncn5n4)CC3)n[nH]2)c1C 1890245765 DKCYTLYBUUFAFY-UHFFFAOYSA-N 446.519 1.866 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1986132526 RUMCJYAJDXOHKA-OWCLPIDISA-N 425.526 1.780 30 10 IDEE CC(C)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2243678368 IPMLMAKTLXNBDC-UHFFFAOYSA-N 426.348 1.843 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2247832974 YSEHLTAMYPERCE-UHFFFAOYSA-N 429.351 1.419 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C1CCC1 2247876842 XBCDAOZQAWWPHD-UHFFFAOYSA-N 432.355 1.858 30 10 IDEE C[C@@H]1C[C@@]1(CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416493 SVOYKZZLTZFDGH-WYRIXSBYSA-N 438.359 1.749 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255605619 RCZHEURXFPGWML-QFIPXVFZSA-N 426.326 1.076 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)n1 2255610017 XFEYITGYWZFUOH-KRWDZBQOSA-N 425.342 1.509 30 10 IDEE Cn1cc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255623492 NVETYIMSUFXJND-KRWDZBQOSA-N 430.236 1.002 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255654315 VNDZVEFKKRBDGJ-CABCVRRESA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@H]12 2255700032 WRCLASICUMXFMP-HOTGVXAUSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255709544 XLNRRVYWKYXIAH-UHFFFAOYSA-N 436.314 1.681 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)n1 2255831334 UEBSCDYUABHUGZ-UHFFFAOYSA-N 434.346 1.799 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCON(C(=O)OC(C)(C)C)C1 2255872896 GGJPMJTYBQVTGE-OAHLLOKOSA-N 435.330 1.995 30 10 IDEE Cc1nc(S(=O)(=O)N(C)CCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255932681 DGGMNSQBGVGYCN-UHFFFAOYSA-N 449.382 1.865 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)Cc2c(Br)nnn2C)C1 2266534510 HZVNCMWFAXJMHQ-UHFFFAOYSA-N 426.315 1.843 30 10 IDEE Cc1c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995151 DVXHKOHLXCDWLV-LZWOXQAQSA-N 446.357 1.765 30 10 IDEE CC1(C)OB(C2CC(C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C3)C2)OC1(C)C 2267089954 IYSPKKZBJGGNHW-MVKMKZAISA-N 447.263 1.240 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)n1 2267112709 KNCCBMGAKIFZJF-UHFFFAOYSA-N 449.361 1.682 30 10 IDEE COc1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2339785929 DOFXJLYNACGGIP-JKSUJKDBSA-N 449.357 1.858 30 10 IDEE CCOc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 13620882 IXCGCWLHLBPVAY-LFYBBSHMSA-N 447.542 1.574 30 10 IDEE CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2C#N)c2ccc3c(c2)OCO3)CC1 20614281 YCSDCSJVZDFYBV-IBGZPJMESA-N 435.484 1.330 30 10 IDEE C=CCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)Cc1cccc([N+](=O)[O-])c1 63287936 HWJVSAKVNMUBOC-UHFFFAOYSA-N 431.537 1.642 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1 72443818 SZXSCBCMSGAIJS-ZIAGYGMSSA-N 426.864 1.349 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)NO)cc23)C1 136864967 CMRRBALXYBZUJR-QGZVFWFLSA-N 446.504 1.962 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(C)nc3)C[C@H]2[C@H](C)CC)C1=O 439786910 SNFXQOFWQPZVJD-APWZRJJASA-N 441.532 1.426 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@@H]1CCCO1 447271392 OCAVNGIDIDRDFP-AWEZNQCLSA-N 449.985 1.929 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H]3COCC[C@H]32)CC1 464852042 HSSNPMKEFGDCMX-SJLPKXTDSA-N 425.489 1.956 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(-c2ccccc2C#N)c1=O 478845612 OONQKQCSAMKOFB-MRXNPFEDSA-N 445.504 1.003 30 10 IDEE CN1CCN(c2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)ccn2)CC1 487715147 MKNNXWJETHWODD-IBGZPJMESA-N 436.541 1.859 30 10 IDEE Cc1ccsc1[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 494669226 AXLAWKWFFLPPEE-KRWDZBQOSA-N 448.570 1.084 30 10 IDEE N#C[C@@H](NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(Br)cc1 499431755 PIKMDVBKMMWWDO-QZTJIDSGSA-N 449.349 1.843 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 505206749 DPYHDFOINWLIMU-UHFFFAOYSA-N 432.477 1.867 30 10 IDEE C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513789583 KUEIYVWSMNRGIB-OAQYLSRUSA-N 441.465 1.614 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 516632793 QGVRZYJLSHQBDB-LPHOPBHVSA-N 431.489 1.206 30 10 IDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 517969968 XSUFOESBUFOAJK-QHCPKHFHSA-N 433.516 1.967 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3O)cc2C1=O 518998172 AHSXNKOINILQOV-UHFFFAOYSA-N 441.465 1.966 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1 524515878 GNZGRJPSSXGJJY-UHFFFAOYSA-N 444.576 1.681 30 10 IDEE CCc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(OC)cc(C)n3)c2=O)c1 540697028 ZHAHVAHZNBGICW-UHFFFAOYSA-N 434.521 1.423 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544077405 DSRPYNAHJZXGKL-UHFFFAOYSA-N 442.566 1.922 30 10 IDEE Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1C(=O)N1CCOCC1 562201195 BWVOZSYNURAVLW-UHFFFAOYSA-N 442.497 1.256 30 10 IDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2ncccc2C#N)CC1 575066925 MDWQHDUNRAHXCK-KRWDZBQOSA-N 442.545 1.542 30 10 IDEE CN(C)C(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609101973 IYVSSIBCJKIOEC-UHFFFAOYSA-N 426.498 1.407 30 10 IDEE CC(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C#N)n2)CC1 619848752 CAVNGVUVOHKFEO-INIZCTEOSA-N 429.550 1.429 30 10 IDEE O=C(NCC#CCNC(=O)[C@H]1CCCN1c1nccs1)[C@H]1CCCN1c1nccs1 681340292 FHQLWADQPNSMPV-HZPDHXFCSA-N 444.586 1.473 30 10 IDEE COc1ccc(N2CCN(C(=O)CON=CC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 727413463 DBLSLEBYCAONCY-UHFFFAOYSA-N 441.444 1.893 30 10 IDEE CCN1CCN(Cc2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 732445706 CHLJLWGVRIKQRV-QURGRASLSA-N 440.548 1.150 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)cn1 735068459 BXZUGTPEUUZECI-UHFFFAOYSA-N 435.553 1.592 30 10 IDEE CCc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1-c1ccc(OC(C)C)cc1 741218019 BLJYWBVGJPYGRM-LSDHQDQOSA-N 438.488 1.873 30 10 IDEE Cc1cc(NC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)n(-c2ccc(F)cc2)n1 741341375 BACXQRSFSOBKPX-QZQOTICOSA-N 441.419 1.718 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)c1 742245779 NZCYMEHACIBMCF-KQWNVCNZSA-N 449.533 1.549 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2ccc(C#N)s2)c(N)n(Cc2ccccc2)c1=O 750397657 QPAUQOQXJMXYIP-UHFFFAOYSA-N 438.465 1.633 30 10 IDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 767692329 WTVDOUAVMOUOPQ-MRXNPFEDSA-N 436.530 1.868 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)c1cc[nH]n1 772610904 PDKPUQMUFFJQSX-HIFRSBDPSA-N 437.497 1.455 30 10 IDEE N#C[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCN1C1CC1 775219210 GAQZHXANNFBTLS-IRXDYDNUSA-N 432.322 1.936 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC(=O)N2C(C)(C)C)cn1 796608387 JSYYPYOBGFJZMW-MJGOQNOKSA-N 443.529 1.626 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C)CC1 800745771 CNTZDVLUNRWYCE-QGZVFWFLSA-N 447.584 1.354 30 10 IDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 802454572 XZVAIZOHURCIKE-DYESRHJHSA-N 437.548 1.452 30 10 IDEE CC(C)N(CCCNC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)S(C)(=O)=O 803923423 MUHFLSHUVNYOPY-UHFFFAOYSA-N 439.509 1.448 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 812190094 QEPSZRJTOMLUEI-JKSUJKDBSA-N 434.541 1.830 30 10 IDEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2cn(C)nc2C)n1 1083911151 PQZUTTMFCHYDSR-UHFFFAOYSA-N 428.478 1.810 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)cc1OC 1084116036 RZWBANXBZJLRCM-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE O=C(CSc1n[nH]c(NN=Cc2cccs2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084348388 GMQLJOOYANPZAA-UHFFFAOYSA-N 427.471 1.927 30 10 IDEE N#Cc1sccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1126064942 CVAAMKLPYCOCIZ-UHFFFAOYSA-N 432.483 1.097 30 10 IDEE CC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(Br)c1 1134428963 JFMRYQIAGYCAEM-JLJPHGGASA-N 440.319 1.023 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1 1147133351 PQJAHQJWYHRNHF-UHFFFAOYSA-N 433.436 1.747 30 10 IDEE Cc1ccc(C(=O)NCC(=O)N(C)OCC(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 1148091330 USFNSHNNTIPHES-UHFFFAOYSA-N 430.232 1.976 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cc(Cl)c3O)C2)c(=O)nc1O 1183997662 NNSCACGMQZIPEJ-UHFFFAOYSA-N 425.626 1.639 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(cc2OC)CCCNC3=O)n1 1211731343 QEYNGRRHBJABTH-UHFFFAOYSA-N 446.529 1.038 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286393682 MEXOFLWOIGKBFG-QZTJIDSGSA-N 443.573 1.782 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286393788 SBMKSOFGDCPIGW-PXNSSMCTSA-N 442.589 1.373 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)(C)C)CC1 1286472752 KGVUMXSZNYKZMS-HSZRJFAPSA-N 446.596 1.236 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286481421 VLAJMNMAYNKSGJ-ROUUACIJSA-N 440.514 1.812 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286530586 POQIJNYZKSLKHN-MRXNPFEDSA-N 427.303 1.356 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286530770 DIRATHZNYARNCC-UHFFFAOYSA-N 436.376 1.372 30 10 IDEE C=CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1286777621 IZMHCRVVWDKDOQ-STQMWFEESA-N 429.453 1.317 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)C1 1286813125 RWFCESBSIXMNND-HUUCEWRRSA-N 430.534 1.330 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1286818782 NTSZERINKBPLKD-OAHLLOKOSA-N 442.545 1.729 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1288524709 GDNPKELZCGMXBH-YJBOKZPZSA-N 448.549 1.298 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1292525255 QWXGOHYQYAVEAF-BKBKCADHSA-N 447.499 1.763 30 10 IDEE Cn1cc([C@@H](CO)NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1295847414 LJTKPFVRGCRVOX-RTBURBONSA-N 425.489 1.976 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1297969710 BZTZSNNHKBDCAS-UHFFFAOYSA-N 433.520 1.735 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1300283351 MBHHNRNGILDJJP-GJZGRUSLSA-N 436.559 1.241 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccn(C)n2)c1 1300330989 GAWXQGDMBNUANR-UHFFFAOYSA-N 446.515 1.352 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300336747 MXNJDDYTDZTONH-LJQANCHMSA-N 443.596 1.354 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(N(C)C)CCSC1 1300456284 YMBGJSFXAICKTL-JOCHJYFZSA-N 437.573 1.699 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1300465311 LIEBQRGTJNJICS-MRXNPFEDSA-N 446.552 1.702 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1300501333 JTKCTJAWEXISOZ-ULQDDVLXSA-N 437.541 1.165 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1300537936 LZBMWUFBLDIINP-KRWDZBQOSA-N 428.514 1.341 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(CC(C)C)c1C 1300649937 PHZAGTXHSQFWTI-UHFFFAOYSA-N 427.553 1.809 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCO[C@@H]1C 1300656732 ARMSRTGQXSAYDC-HXOBKFHXSA-N 436.516 1.961 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@H]2COCCO2)n1 1300681474 QWOPWVOSCVDPPP-FQEVSTJZSA-N 437.504 1.238 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)CCC)CC1 1300731129 CNFGMAOXDDYRBG-YDHSSHFGSA-N 447.580 1.519 30 10 IDEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1300951689 FTTAKAZGTAPUKV-MRXNPFEDSA-N 426.525 1.292 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301239245 LJEDMXXLKSSAKJ-SJORKVTESA-N 439.520 1.481 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1301258321 PYCDMOHPEIBCPU-SFHVURJKSA-N 449.581 1.281 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1)C1CC1 1301314598 XYTXGGGNBGRFAI-GMBSWORKSA-N 425.555 1.381 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CCO1 1301360913 MSPWYPWCLBXBBE-LJQANCHMSA-N 436.472 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC2(CCCCC2)C1 1301585556 MXWPPMJTRXJWMN-INIZCTEOSA-N 437.566 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301587237 XOWNFXNBMUNYBZ-RTBURBONSA-N 447.561 1.634 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 1304370023 IJJOFJCLJVTILT-XKQJLSEDSA-N 434.518 1.445 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21 1312353824 LRLVGAFRFCUOLG-ZDUSSCGKSA-N 433.452 1.969 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1313825504 HASKCZQJFMIOEB-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1358890076 KPXRERRXPKSDKH-ULQDDVLXSA-N 439.582 1.799 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1358938465 BFDMVGFSAQHYCA-AWEZNQCLSA-N 428.559 1.215 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1358960037 VDRIIMJIAUEBPF-HXUWFJFHSA-N 449.540 1.649 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358960410 DLUDWJLTNRZOHW-AWEZNQCLSA-N 443.558 1.429 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1358961131 SCMRJJZXQCNPBD-QGZVFWFLSA-N 444.561 1.206 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@H]1C 1358997116 FNFRWOWRFYCBRU-HRAATJIYSA-N 427.530 1.272 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC(C)C)CC1 1359098227 YTWQDLOLRQBUJR-DYXWJJEUSA-N 446.596 1.757 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCS(=O)(=O)C1 1359276153 UEOGAGAFRFHJMZ-MRXNPFEDSA-N 435.550 1.679 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359296673 QJHCMEUTQXMEQG-FQEVSTJZSA-N 446.515 1.529 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359301919 PRRKMMSVQQWVGR-MRXNPFEDSA-N 435.525 1.324 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnc(-c3cccc(Br)c3)n2)C1=O 1437288624 XUXHNMFFMVMWNY-UHFFFAOYSA-N 444.245 1.821 30 10 IDEE CO[C@H]1CCn2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)nc2C1 1441242701 OJYOIIVQWSNZCD-INIZCTEOSA-N 437.479 1.986 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)CC1 1445688813 KHOUCRIRGNJDGW-UHFFFAOYSA-N 425.514 1.845 30 10 IDEE CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc2C)cc1 1450159026 RLTMWZGMWWAENE-QGZVFWFLSA-N 433.486 1.914 30 10 IDEE CN(Cc1ncc(Br)cn1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1455700742 TVIRHTOGPALRJK-UHFFFAOYSA-N 438.307 1.326 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1462683313 FIPKWGFYOGEHNY-UHFFFAOYSA-N 435.483 1.271 30 10 IDEE CNS(=O)(=O)c1ccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)s1 1463981717 NZJKZSXJGKASMC-ZDUSSCGKSA-N 430.552 1.860 30 10 IDEE Cc1cc(O)nc(N2CC[C@@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2)n1 1471857730 HOMKQZGIKMRABP-CYBMUJFWSA-N 432.278 1.899 30 10 IDEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3ccc(OCc4ccccc4C#N)cc3)C2)cc1=O 1472120144 AZKBBDQBLHXMKO-IBGZPJMESA-N 445.479 1.945 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1503104349 COQFUXNEKFHOCA-VGSWGCGISA-N 426.521 1.553 30 10 IDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1503187171 MLJSTPRXXHJVBT-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1503600607 XNQLYWHYHQAMFD-LJQANCHMSA-N 435.532 1.838 30 10 IDEE CN1C(=O)N[C@@H](C2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)C1=O 1503643800 XIZQQYJKQSDJCA-KRWDZBQOSA-N 437.504 1.354 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1 1503822018 FQPXWAZVKLDKET-UHFFFAOYSA-N 436.520 1.337 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)C[C@H]1O 1503884422 WTUBVUVXWATADV-SJLPKXTDSA-N 443.504 1.514 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1505323481 YKEPBBSPTZMVMM-MJGOQNOKSA-N 442.495 1.399 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCn2ccnn2)c1 1507550224 ICUWAMJDFWFUHM-GOSISDBHSA-N 434.504 1.520 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1507634588 ZOECXINJGOTASK-ROUUACIJSA-N 438.594 1.862 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507638374 QAGJFKHJICBEFS-JKSUJKDBSA-N 435.575 1.824 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(C)c1 1507652892 MAAYXQVYGFQNEO-UHFFFAOYSA-N 444.495 1.817 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1507757136 PEXKHUDPOISGJS-SFHVURJKSA-N 443.573 1.753 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1507852962 FQYRBVFBCCQXMS-GFCCVEGCSA-N 444.911 1.715 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1508089459 XHJWBFAYGWEACW-WBVHZDCISA-N 426.521 1.607 30 10 IDEE CC(C)(O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1508733800 CPOMNQPABALKQU-UHFFFAOYSA-N 437.548 1.760 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccnc1OC 1516585239 ATWCNKJCYXPNSK-UHFFFAOYSA-N 434.504 1.860 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1517629610 UKJOSFDFYTXZKZ-UHFFFAOYSA-N 448.549 1.201 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2C1=O 1535299531 KKQFFJZSVXNHBC-HNNXBMFYSA-N 429.473 1.834 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1538970160 AHJYWIKFPGHGGE-SJORKVTESA-N 441.561 1.775 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539044766 HRYQGOYOHNJQNI-NRFANRHFSA-N 429.525 1.034 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539211792 KXJDRAUFWZTPHK-SJLPKXTDSA-N 431.562 1.531 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1539239046 GIPWITWFZAAFHS-CQSZACIVSA-N 435.937 1.671 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1539337381 IBYLOTAOFYBSOE-LJQANCHMSA-N 427.530 1.549 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2c(C)noc2C)CC1 1539429879 DIFWBNMHLDVNBX-QHCPKHFHSA-N 442.564 1.921 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)CN(C)C)CC1 1539484518 RYMVDCLJLZRIRI-UHFFFAOYSA-N 437.592 1.818 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 1539760251 ZMYCANFIVSZRCY-ICSRJNTNSA-N 443.552 1.711 30 10 IDEE COc1ccc(-c2noc(CN3CCN(C(=O)c4nc(O)c(C#N)cc4C)CC3)n2)cc1 1540640777 PKPRVSSLDPUTNQ-UHFFFAOYSA-N 434.456 1.984 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1541110995 BTNIKPJKQLKFSP-OAHLLOKOSA-N 437.508 1.586 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)nc1 1546313356 AXWOXACUJQGWOF-KRWDZBQOSA-N 426.498 1.663 30 10 IDEE N#CC1CCN(c2nnc(COc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1555992540 UKWIBFKGTHXYHC-INIZCTEOSA-N 441.467 1.724 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)s1 1558621304 ASHCBKWCRSHZOU-OAHLLOKOSA-N 433.511 1.732 30 10 IDEE C#C[C@H](NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC)C1CCOCC1 1559019156 ZYKNOFPPVJKMJU-KRWDZBQOSA-N 432.546 1.571 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1585788853 YPARNFSCYQSQLN-FQEVSTJZSA-N 443.397 1.431 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1B1OC(C)(C)C(C)(C)O1 1587497967 IOUNPDQMRHIDTH-HJPURHCSSA-N 441.337 1.745 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cccs1 1588011910 OHWABPOVCJMDTB-UHFFFAOYSA-N 428.543 1.831 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1588063401 QDBKYERHKOBZMX-UHFFFAOYSA-N 449.490 1.737 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1588074953 UTVXPGSKOBTFLT-GOSISDBHSA-N 447.547 1.088 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1595545618 ZMFRUXGWMYCONC-NRFANRHFSA-N 439.499 1.196 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595556683 YYGNEBMERZFJEB-DYVFJYSZSA-N 430.459 1.164 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1595577134 JTPLYBJLJKYSHP-CQSZACIVSA-N 432.912 1.480 30 10 IDEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1595659431 YFTHDFBPZSAART-NRFANRHFSA-N 448.527 1.828 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CCN(CC)CC2)C1 1595722125 JBFRFBPMFXKPSD-PWRODBHTSA-N 432.613 1.979 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2OCCC2(C)C)CCO1 1596642672 ZGTNOXMNHBBRAE-UXHICEINSA-N 438.532 1.973 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Oc3cccc(OCC#N)c3)cc2)CC1 1597183980 JPQGPBZLAHTURN-UHFFFAOYSA-N 443.481 1.661 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1597950891 PAESWRQEPSBTPG-LLVKDONJSA-N 437.399 1.936 30 10 IDEE C#CCCN(CC(F)(F)F)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1611137421 IUWDTOSSITXHAC-ZDUSSCGKSA-N 426.457 1.825 30 10 IDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)c(=O)n1C 1612075021 IAVNLUSGHIHASX-UHFFFAOYSA-N 438.513 1.107 30 10 IDEE CCOC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1616288675 ANJQQCOWVCKPBP-MAUKXSAKSA-N 425.530 1.971 30 10 IDEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCS(=O)CC1 1617289661 UXWZKAPYXDZMEY-UHFFFAOYSA-N 425.576 1.655 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)C1 1618852676 CCNHNLIDVAVWLC-PXNSSMCTSA-N 438.532 1.927 30 10 IDEE COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1619245477 HDLGRVFMTAEUNI-KRWDZBQOSA-N 428.493 1.405 30 10 IDEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1620078415 ZKQILVLFHLUXQV-FQEVSTJZSA-N 427.440 1.699 30 10 IDEE C=CCN(C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1624055511 VWBPQBYAOSKKOV-HNNXBMFYSA-N 425.482 1.505 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1627601383 LAGHYURALSNFGH-OPAMFIHVSA-N 428.489 1.664 30 10 IDEE Cn1cc([C@@H]2C[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cn1 1628568108 UUEAHCTZGBXRDW-RDJZCZTQSA-N 431.518 1.275 30 10 IDEE CC#CC[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1632078121 LFVBIGKXWQFDKG-LLVKDONJSA-N 426.844 1.918 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(C)cc2Br)CC1 1632966150 JFUSKPMMVFNNLX-UHFFFAOYSA-N 428.352 1.302 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2S(=O)(=O)CC)c1 1634180890 RLOWXEASFGNSGM-UHFFFAOYSA-N 436.555 1.917 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cc[nH]n1 1636251166 HGMYEFGBDLVQJF-CQSZACIVSA-N 437.497 1.455 30 10 IDEE C=CCn1cc(CNC(=O)N(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)nn1 1636330735 KSUGPADVNOBOLM-UHFFFAOYSA-N 427.465 1.862 30 10 IDEE Cc1ccc(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)cc1S(=O)(=O)NCC#N 1637996287 AMQLORHBCZDWAG-UHFFFAOYSA-N 432.468 1.896 30 10 IDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1638416716 XHSOULRDYMRNDG-KRWDZBQOSA-N 430.310 1.188 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1 1639581403 MPNQBLGBFLSQSH-SJLPKXTDSA-N 433.530 1.680 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640118493 LWHLLGBABRWNGX-QAPCUYQASA-N 429.498 1.516 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)CC1 1643372244 CDUOZDRSOUFMNL-UHFFFAOYSA-N 429.546 1.277 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)[C@H](C)O)cc1 1644588142 XXNQQAWLATVULZ-BEVDRBHNSA-N 431.514 1.086 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)CC1 1659408462 FDGJPWYQBXUWFW-RJGXRXQPSA-N 425.577 1.264 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(C(F)F)sc3c2)CC1 1661540306 FGGBBBAUWYTTJF-UHFFFAOYSA-N 429.474 1.851 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(C(=O)OC)c1Br 1662999015 NCLQIVWHQCVKBO-UHFFFAOYSA-N 426.310 1.115 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)cc1 1666389524 KBWVBTRIMJTHFV-OTWHNJEPSA-N 433.530 1.777 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2C)c1 1689872261 SUDLDWYTJXWBHL-QGPMSJSTSA-N 427.530 1.817 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCN1CC 1689951181 NWGHOSLHSVWYMX-GOSISDBHSA-N 430.578 1.749 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1690251356 TXKWILXIJVUXEG-KXBFYZLASA-N 444.561 1.529 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)C1 1690724695 UTYKHLQTJLABMT-KRWDZBQOSA-N 439.582 1.425 30 10 IDEE CC(C)(C)Oc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cn1 1691284157 CZEIYWNJDHLGGX-QGZVFWFLSA-N 439.520 1.863 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1692578953 IEKWITVXLUVLES-HXUWFJFHSA-N 437.566 1.636 30 10 IDEE Cc1ccoc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1692941952 BTEIXMCFFUNKBA-QGZVFWFLSA-N 434.522 1.301 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1695442825 FIYABUIHWUVDOV-MRXNPFEDSA-N 426.477 1.254 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1nnc(C(C)(C)C)s1 1698058097 ANTUMGRBTPUOJB-UHFFFAOYSA-N 434.570 1.980 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1705558610 CONCZWTZNIDHIU-HNNXBMFYSA-N 435.575 1.461 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705568648 SKSZFOUVUZTALZ-WMZOPIPTSA-N 448.520 1.659 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1705583182 RYMMMXRHWNMUBH-AZUAARDMSA-N 443.548 1.695 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705638485 MDMQUQPLMGVUQQ-SFHVURJKSA-N 428.562 1.229 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CCCCC2)CC1 1705639082 FRUHHYZABXZYGY-GCJKJVERSA-N 449.621 1.267 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1705641384 CLZGHHLAMWLYLQ-DEOSSOPVSA-N 436.560 1.893 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705894766 KFCXCCNLDAWYCD-QGZVFWFLSA-N 445.612 1.809 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705901569 PLGIEVDLLMXQPU-IAGOWNOFSA-N 428.493 1.310 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1705907083 ZIOLUGKMYNUGMO-SFHVURJKSA-N 440.548 1.868 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705918931 SUJLZRNJASRZFN-XOMICKMZSA-N 435.488 1.648 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccccc2)C1 1705926138 YTHZPAKVQHMKBO-KPLVRAHFSA-N 446.573 1.869 30 10 IDEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)s1 1707850182 LPYAYSUPRMWQQL-UHFFFAOYSA-N 431.547 1.896 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1711074234 YWPOPZZXHQYIJC-HXUWFJFHSA-N 440.573 1.950 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)OC 1712152642 GQSZELUOIYNFCZ-NZQKXSOJSA-N 440.548 1.779 30 10 IDEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1722334916 HXHFOIVHEBDYKI-UHFFFAOYSA-N 433.560 1.974 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1722363664 GWMODTRSYKOQKG-QAPCUYQASA-N 428.942 1.309 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCN2CC)CC1 1722440444 GYFREUPHLPSGED-ACRUOGEOSA-N 430.597 1.632 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722555171 JWJWZMXMAMELPL-PMPSAXMXSA-N 445.973 1.369 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1722689884 BGJUXLVHBAXXSB-YJBOKZPZSA-N 444.511 1.964 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CCOC)CC1 1722695862 SAJDGGTXDLQFNB-UHFFFAOYSA-N 436.919 1.808 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722699085 BJWPZLFDCWOGSU-ZBFHGGJFSA-N 444.486 1.412 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1722699147 RVWOIBDOUOTBLO-QRQLOZEOSA-N 443.573 1.865 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1728602702 FIIATBPKSJNFSN-GCJKJVERSA-N 425.585 1.835 30 10 IDEE CCSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729286394 CIRNQHBAJHHTMS-KRWDZBQOSA-N 440.577 1.966 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1729338875 HCFLYKXKJHOOIB-JOCHJYFZSA-N 439.520 1.426 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1740553488 STQVRBWPQGBLNN-FUHWJXTLSA-N 429.546 1.297 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1740599515 CDEPPOCTLMBFIA-CYBMUJFWSA-N 428.522 1.100 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740763238 ZUPHRTAGNJCSPY-AEFFLSMTSA-N 430.553 1.978 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740809434 MIRGXANRYJRDHD-KBXCAEBGSA-N 430.944 1.476 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1743333785 RBGHQSLNQLXKRU-NFSBEEMKSA-N 430.509 1.660 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1748671984 OWBNHHJIRYPTAX-YJBOKZPZSA-N 435.525 1.565 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1748699978 SZWYTLUOBFZJAJ-MRXNPFEDSA-N 434.570 1.200 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(NC(N)=O)cc2)CC1 1748977891 LOCIQUDFYAOVRM-QGZVFWFLSA-N 441.536 1.296 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C)c(C)s2)CC1 1749010129 NWPTVPKXPWJMQW-QGZVFWFLSA-N 428.562 1.869 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCOCC2)C1 1749043968 MFNWXDAIUWLPAW-UHFFFAOYSA-N 430.578 1.892 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749049630 MLRJQRVSFQYING-DWRORGKVSA-N 433.578 1.616 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1749465581 UFWADOOQRXPANW-NSHDSACASA-N 429.344 1.716 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1749791659 NOOYRSRBZPDOQG-FPOVZHCZSA-N 438.532 1.927 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1750383780 CDNJYZZTQNLXIF-UEXGIBASSA-N 426.452 1.711 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OC2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1760180186 AAGAZAZXRZEQPI-GOSISDBHSA-N 429.546 1.978 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCCC2)CC1 1760252837 XEMMCAXNWNOEIN-UHFFFAOYSA-N 437.548 1.766 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1760551533 JEFUNCLJJJWRQM-UHFFFAOYSA-N 440.573 1.950 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760552738 ZFLUSJTZGLENLZ-SFHVURJKSA-N 446.577 1.099 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCCO1 1763176715 CCXSXGFVNPYEJI-CQSZACIVSA-N 434.447 1.725 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1766244814 CIHGZEJUXJUYTP-OAHLLOKOSA-N 447.565 1.317 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N(C)C 1770203826 VFUGYEXWMDXNPG-VCBZYWHSSA-N 441.536 1.487 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864895021 PPIXOOGGNLQEPV-MRXNPFEDSA-N 441.444 1.659 30 10 IDEE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](CO)C(=O)Nc1cccc(C#N)c1 1867190493 BCZOOFSJODFBFY-SFHVURJKSA-N 448.435 1.909 30 10 IDEE COCCOCC(=O)Nc1c(C#N)nnn1-c1ccc(I)cc1 1870160652 CPQOAZVMFVKQCJ-UHFFFAOYSA-N 427.202 1.345 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCCO)cn1Cc1ccc(S(N)(=O)=O)cc1 1870368757 UYRCXIINPBGQBP-UHFFFAOYSA-N 433.530 1.089 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cs1 1889494898 TYIIQVOMBUKXCF-UHFFFAOYSA-N 426.424 1.830 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cn3ccnc3C3CC3)CC2)CC1 1890023727 YGUFUVWBFQDUFV-UHFFFAOYSA-N 427.593 1.798 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 1892090570 HRLZFKKRMJZUHL-LEWJYISDSA-N 448.552 1.845 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1985006343 BWERORUJQGRJQC-OWCLPIDISA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Oc1cc(Br)cnc1C#N 2078082152 HPMUUUCWGLQOOP-WCQYABFASA-N 432.296 1.785 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2124540378 GUYYVFJVWQYQTG-DZGCQCFKSA-N 448.329 1.739 30 10 IDEE NCC#Cc1nc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ccc1Cl 2241133471 GEBOQZDLACNXPN-UHFFFAOYSA-N 446.916 1.863 30 10 IDEE C=C(CS(=O)(=O)NCCOCCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243435450 QOUDYWFXBDHEGD-UHFFFAOYSA-N 434.364 1.635 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2267220052 IXNLJRJDLULJGD-HOTGVXAUSA-N 449.357 1.829 30 10 IDEE C[C@H]1C[C@H](CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267549251 LAXLUDKCALEPAM-UONOGXRCSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267574638 YMSWINSFSPFMOL-DZGCQCFKSA-N 448.329 1.045 30 10 IDEE C#CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCCO3 13795145 IVYXLWDIYBUUJU-YSGBTYPNSA-N 435.527 1.349 30 10 IDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)Nc1ccc2c(c1)OCO2 20915423 DPIUHUVSEDPSIR-UFFVCSGVSA-N 441.473 1.993 30 10 IDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 27902260 GBWRYZZRFRTKOY-MRXNPFEDSA-N 437.382 1.716 30 10 IDEE NS(=O)(=O)c1ccc(CCN/C(=N\c2ccccc2)S[C@@H]2CC(=O)NC2=O)cc1 105609523 VXRDEANUFCTVDT-MRXNPFEDSA-N 432.527 1.302 30 10 IDEE CC(C)N(C(C)C)P(OCCC#N)OC[C@H]1O[C@@H]2[C@H](O)[C@@H]1Oc1nc(=O)ccn12 110341530 BHBLMAIJWYEONV-WDJGLUJWSA-N 426.410 1.555 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 480996982 GWEFYUDZNFIIIN-HOTGVXAUSA-N 434.518 1.475 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3(C#N)CCCC3)CC2)cc1 481769930 VEJGIVJESGWEMQ-UHFFFAOYSA-N 448.545 1.261 30 10 IDEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1=O 482527312 DCGHXWWXLHXMNZ-VXKWHMMOSA-N 437.588 1.994 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)n2)cc1 491097732 BXBHEAPXOTXDAA-SLFFLAALSA-N 433.516 1.469 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 492354287 MJWUVZHPWAXCQV-CYBMUJFWSA-N 428.302 1.802 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 494349036 LXVFWOZCXFWYEI-IBGZPJMESA-N 425.407 1.965 30 10 IDEE N#C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 499429770 GHQVFWBMWPGDNI-DOTOQJQBSA-N 435.322 1.311 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 508920786 JRXCHJVEEHMOHS-LJQANCHMSA-N 427.505 1.452 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 539596904 RKMFWAOPZKUFJI-UHFFFAOYSA-N 444.582 1.110 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1cccs1 584200553 DIQDEDDSVXCQIB-MRXNPFEDSA-N 425.580 1.928 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccccc1C 603799350 LZAMKUDQEHHPCI-UHFFFAOYSA-N 433.533 1.782 30 10 IDEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 609001250 UXDJEPZVCOYNNT-HNNXBMFYSA-N 428.518 1.454 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CCN([C@H](C#N)C(C)C)CC3)CC2)nc(C(C)C)n1 609538537 UJBICZIXZNRGQJ-HXUWFJFHSA-N 427.597 1.723 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@H](C(N)=O)c4ccccc4)CC3)cc2C1=O 612157901 SOVWPEAQJHFPPA-FQEVSTJZSA-N 432.480 1.453 30 10 IDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 615307013 HCQUONNPHXLRHO-HXUWFJFHSA-N 446.467 1.551 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@H]2CCCO2)c1=O 679755364 QHWQYAADPOQTAN-QGZVFWFLSA-N 426.542 1.568 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(NC(C)=O)c1 727417436 FIFQTRFYCYBOQL-UHFFFAOYSA-N 434.477 1.256 30 10 IDEE CN(Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)Cc1cscn1 732705526 ATYSSAFKHVZIHW-FQEVSTJZSA-N 438.557 1.912 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)OCC[C@H]3C2)c1 763937879 MVLPEBXOEBNVIN-MUNYZGMTSA-N 435.506 1.558 30 10 IDEE C#CCN(C(=O)c1cc(I)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 772118520 QHBXVEDHGUIPLH-VIFPVBQESA-N 439.221 1.832 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 774034877 CQDVHEFIPLTCLU-SJORKVTESA-N 440.543 1.294 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C)cc1 782886273 KJRXHFLOOOBYSR-LZWOXQAQSA-N 448.545 1.519 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCCn2ccnn2)C1=O 784120100 XRDBTBMCJUFPTI-QGZVFWFLSA-N 447.540 1.507 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c1 787910993 AJIDIZLMDDUWAX-AWEZNQCLSA-N 431.480 1.991 30 10 IDEE Cc1c(CN(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cnn1C 791003902 JPLLLCPDFOWGSM-PTGBLXJZSA-N 446.533 1.138 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C[C@@H]2CCCCN2S(C)(=O)=O)C1=O 795183972 RKEJYPOXQSAIEO-KBPBESRZSA-N 444.604 1.630 30 10 IDEE C[C@H](C(=O)OCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)n1cnc(C#N)n1 798819069 JLXFPPWGOFXAKY-OAHLLOKOSA-N 436.451 1.710 30 10 IDEE CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801885518 PUEBKCXACXMFIO-QFIPXVFZSA-N 434.592 1.839 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC 812143973 DGAPDQHLJRSGBU-INIZCTEOSA-N 441.579 1.512 30 10 IDEE Cc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc(S(=O)(=O)N(C)C)c1C 916178658 JATWMPHFRYEVRW-UHFFFAOYSA-N 435.527 1.685 30 10 IDEE CN(C)c1ccc(C=NNS(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 1084376492 AUIDKPQDVUVBGY-UHFFFAOYSA-N 433.490 1.810 30 10 IDEE CO[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)OC(C)(C)C 1125203447 WVBLTBNDUOMWBR-KQRQPNSISA-N 425.507 1.795 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2cc(C#N)ccc2F)C1 1133558496 QTFYPYYICKZRLV-FOIQADDNSA-N 437.493 1.595 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1C(=O)OC 1134900842 OSWBDTIGCPBOJK-BETUJISGSA-N 425.235 1.120 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(COC)CCN(C(=O)OC(C)(C)C)C2)n1 1139834173 YDQDUHODEDFNHO-QFIPXVFZSA-N 434.537 1.765 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H]2CCCC[C@@H]21 1146320987 VYOHFKYMOCGUBA-PIKADFDJSA-N 433.530 1.805 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1147823703 UVYWRXJZHJFSEC-OAQYLSRUSA-N 435.546 1.110 30 10 IDEE C#C[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C1CCOCC1 1148194661 OKTIJLASBKQTJN-OAQYLSRUSA-N 429.542 1.959 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CC1 1175515313 WTVWCGLBWOXSKH-UHFFFAOYSA-N 427.530 1.040 30 10 IDEE Cc1ccc(C(=O)NCCc2nnc3c(=O)n(C)ccn23)cc1B1OC(C)(C)C(C)(C)O1 1178035144 FMZCISSBGWRAED-UHFFFAOYSA-N 437.309 1.008 30 10 IDEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N2CCC3(CC2)CC(=O)C=CO3)c1 1198242878 UPAJRZPICBREJL-CQSZACIVSA-N 430.457 1.925 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286322933 HUDABBOBJHIBPI-QGZVFWFLSA-N 435.594 1.678 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1286383251 LXEADGQPCNDFPR-LJQANCHMSA-N 443.529 1.106 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)C(=O)NC)CC1 1286474542 MEGQXWFQNRFGMR-UHFFFAOYSA-N 440.548 1.490 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCO2)CC1 1286646025 LFAJSVINHZRKFG-APWZRJJASA-N 425.555 1.337 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1286742613 RABPCPMHQXIICG-IBGZPJMESA-N 433.516 1.820 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1286758281 ILBLSRPAZARIIF-ZWKOTPCHSA-N 445.593 1.761 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1286766110 NVYPHYOXQFHGPV-KRWDZBQOSA-N 447.561 1.663 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1286786505 FJTJYPRBJQWQMJ-UHFFFAOYSA-N 432.532 1.668 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCC(OC)CC2)C1 1286807932 HXFCNGMMWBGCHX-RBUKOAKNSA-N 446.596 1.900 30 10 IDEE CC(C)(C)OC(=O)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 1290636049 HIHXUROWEDPJJI-GOSISDBHSA-N 433.530 1.759 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1291193630 GIYOYUXKIWJDAC-ZHRRBRCNSA-N 426.521 1.803 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1291802280 ATQJCXMOPBUVKO-SFHVURJKSA-N 439.564 1.890 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1 1291832345 MHKRFISVGMWZIZ-LVZFUZTISA-N 444.579 1.500 30 10 IDEE CCc1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1293117196 XLWCZYNGLSLCBK-ROUUACIJSA-N 439.564 1.980 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1296981347 OMCAQMKFEXTFDZ-XSAFGROZSA-N 430.509 1.314 30 10 IDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H](C)S1(=O)=O 1298817594 WJGJFRZLSQMSQM-RYUDHWBXSA-N 426.336 1.791 30 10 IDEE COC1CCN(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1300787157 UPOHPPVEDWZVGC-HKUYNNGSSA-N 432.569 1.790 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1300872653 GSBWUZRCCFWSOO-MSOLQXFVSA-N 432.569 1.702 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1300891451 LABQWNWHPDFRML-AVRDEDQJSA-N 444.580 1.829 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1301085790 AHALFDAPQLWIIU-SQNIBIBYSA-N 439.582 1.319 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(C)(=O)=O)C1 1301556021 FBMFJALEQQBLIS-QAPCUYQASA-N 434.518 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301593971 ZEWDTIUMWCUKDV-FCEWJHQRSA-N 428.555 1.188 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C)[C@H]1C 1301596510 QMKABBIEZAANNT-NCOADZHNSA-N 444.623 1.933 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301596737 XJKGDWQYTFDVFN-MJBXVCDLSA-N 438.472 1.886 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302439461 HTEZSFHTNVMFJP-DXQAYGFFSA-N 448.549 1.085 30 10 IDEE N#CC1CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1303000694 IQSHHIHQUTXPDC-KRWDZBQOSA-N 434.479 1.958 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CCN1S(C)(=O)=O 1316495354 GMSARPSIVZMUIV-LPHOPBHVSA-N 442.545 1.980 30 10 IDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1358909448 GQZZWKQXWOGLOQ-UHFFFAOYSA-N 436.520 1.995 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358964201 VHIFRTPTBMKCIG-OAHLLOKOSA-N 442.607 1.071 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O 1358971048 GGNZLDJSXCMONG-UHFFFAOYSA-N 441.561 1.146 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC=CCO1 1358971528 YWVCVDNFJXECIN-GOSISDBHSA-N 438.557 1.965 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC 1359024256 JGZJQQJIGBJFAZ-INIZCTEOSA-N 427.571 1.133 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359053908 DKCADIJPEVCCPW-UHFFFAOYSA-N 441.605 1.697 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359054800 IHOFNMYPCKFXKB-HUUCEWRRSA-N 433.534 1.612 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1359126644 UUKSRTNGDKPPIT-AWEZNQCLSA-N 436.538 1.144 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359330412 QTFVMLRBOQYHHO-QGZVFWFLSA-N 430.534 1.142 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1359337587 WGWXIFFUXHICSM-HNNXBMFYSA-N 445.611 1.193 30 10 IDEE C#CCN(C(=O)c1ccc(Cn2cc(Br)cn2)cc1)[C@@H]1CCS(=O)(=O)C1 1435070016 VQJIHWZDJAOWEJ-QGZVFWFLSA-N 436.331 1.956 30 10 IDEE O=C(NCC#CCO)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1467503972 MWKGBMJXIOCQBJ-UHFFFAOYSA-N 428.297 1.592 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1469544475 HKUYINWKKJWWAO-FQEVSTJZSA-N 440.525 1.776 30 10 IDEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1492713259 CUQJMGDJJXGJGQ-UHFFFAOYSA-N 425.518 1.639 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1503231635 PIRQQRHNHIKCEC-QGZVFWFLSA-N 442.545 1.499 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1504888437 QWBGVVIMYGZOIC-SJORKVTESA-N 447.565 1.006 30 10 IDEE C[S@@](=O)Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1505148883 CIDOVDZLDQEDTL-WTPASJBYSA-N 442.545 1.056 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1507630783 HLZNPGSEPCVHOE-LJQANCHMSA-N 430.578 1.991 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1507640822 WPMWECIJJSFQNQ-LJQANCHMSA-N 441.557 1.384 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507728388 SFQUNSDLDHFJRQ-OAQYLSRUSA-N 441.601 1.643 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507798445 NZPIQEYEDVJKCM-SCTDSRPQSA-N 442.568 1.990 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCS(C)(=O)=O)CC1 1507877538 CPONLLZASTXEMT-UHFFFAOYSA-N 428.522 1.512 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(C)=O)CC2)C1 1508107333 BWHUVKRFAVQWMA-IBGZPJMESA-N 430.553 1.554 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1512857734 NTUGYCOZHBTLAG-RAXJRXGESA-N 444.536 1.702 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1515285303 CSAWYRNFNFNUIN-IBGZPJMESA-N 435.532 1.886 30 10 IDEE N#Cc1ccc(OCC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br 1515840298 ZDYPMOQYPQKGIR-GNTOHDJUSA-N 444.285 1.623 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1521155163 QBNHKEKDUOCVNC-INIZCTEOSA-N 446.533 1.220 30 10 IDEE N#C[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(OCc2ccccc2)cc1 1537600987 ALIJRJGMHGDKDT-RBUKOAKNSA-N 432.440 1.960 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1539005613 ZWYLQJMNGUVYGF-QGZVFWFLSA-N 449.559 1.497 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](C)C1 1539416681 RMWPFHNPXMOAAM-KSZLIROESA-N 439.582 1.133 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539497363 JNQYACIGLPRKAQ-UHFFFAOYSA-N 442.589 1.578 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C)C1CC1 1540109387 PGDXNXVRHYGXHX-QGZVFWFLSA-N 436.538 1.419 30 10 IDEE C#Cc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 1540537517 YXJKAGGPVMKJNS-UHFFFAOYSA-N 440.525 1.046 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1540862235 VXRMARNRXUVRQN-UHFFFAOYSA-N 427.465 1.361 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540868980 YNVACXSUSDHOPI-HNNXBMFYSA-N 442.545 1.742 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540873275 SQCJUBSQRBGFML-KRWDZBQOSA-N 427.534 1.544 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1541233273 HKBVLDIGNMHPMK-ILHIWHGASA-N 431.522 1.201 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1OCCC1(C)C 1541661579 JCNGOZDMWUVLKL-KRWDZBQOSA-N 439.520 1.766 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1555744087 SIJOUJLVBWVGOA-ICSRJNTNSA-N 446.552 1.381 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)CC1 1556504261 QEGKMDXUUVPJFS-UHFFFAOYSA-N 426.517 1.491 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1557384550 QZEXXHKXZQKUCA-HXUWFJFHSA-N 428.514 1.546 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CCO2)cc1 1565372952 VQLZAMLPYGYLIO-OAHLLOKOSA-N 437.378 1.666 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 1565718269 DEDOVCVOIPSISJ-PXNSSMCTSA-N 442.541 1.196 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)CCC23CCC3)C1=O 1583584745 ZSIXNTKXRZHPFW-UHFFFAOYSA-N 434.493 1.355 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1584781457 HQKDPXLVOFXXBH-GOSISDBHSA-N 427.505 1.682 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1587640420 REIAJNLNPFXVSE-NVXWUHKLSA-N 445.545 1.164 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(CC)C2)CC1 1588954921 MKMVCYDBYCNIKL-IBGZPJMESA-N 435.576 1.572 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1589047683 FNMDYYVCQJINCN-SJORKVTESA-N 443.577 1.469 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1595218097 HCKABTQTKZPFRE-GOSISDBHSA-N 433.534 1.860 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595551178 MUFOPEWGQNZASQ-CYBMUJFWSA-N 434.438 1.107 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1595551343 OXKRSEKCXSAZOR-RCCFBDPRSA-N 447.536 1.424 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595555548 BVVSIKLREAOWIV-VGSWGCGISA-N 426.521 1.340 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1596450024 WQBUZEMCDHBTAX-DVSFIDLUSA-N 429.525 1.108 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3COC4(CCOCC4)O3)C2)C1 1597892434 HCWODMKQYPFLJJ-CXIVCQEWSA-N 435.521 1.812 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1619465979 KUCWWENRALAWNE-YCRPNKLZSA-N 442.545 1.786 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1620042763 DFODHSDCIYSHSX-IBGZPJMESA-N 426.521 1.927 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2CCOCC(F)F)cc1 1620352580 UMAJBLMQGKPOQK-QGZVFWFLSA-N 448.474 1.531 30 10 IDEE COc1ccc(C[C@@H](CO)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1O 1622383623 UOHDPZODIXTLTM-CQSZACIVSA-N 436.461 1.418 30 10 IDEE COCCn1nnc2c1CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2 1628349229 FDBVYRODGYERGD-JXORXQGFSA-N 444.536 1.596 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2CCC(S(C)(=O)=O)CC2)C1 1634108968 UAWLLGDCWPVMGP-BHDPWAOGSA-N 428.555 1.648 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1637215547 ZHNPTPCVOIURHU-NVXWUHKLSA-N 427.567 1.614 30 10 IDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CC[C@](O)(CC#N)C2)C1=O 1638968243 LYACXJHRDVYWJH-QZTJIDSGSA-N 435.278 1.093 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1643027781 FJJIVDOAZKPNSS-ROUUACIJSA-N 436.530 1.584 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccc(Br)cc3s2)CC1 1643372372 IJYKNGWRMQOBTI-UHFFFAOYSA-N 442.360 1.889 30 10 IDEE COc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1648155197 AAAPWMKPPBIQHJ-KSFYIVLOSA-N 439.493 1.958 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1 1650846141 LGCSFMMQYKMUQA-UHFFFAOYSA-N 449.536 1.765 30 10 IDEE Cn1cc(Br)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1=O 1651223747 SRJLLGBVMPOLPN-UHFFFAOYSA-N 434.246 1.666 30 10 IDEE C#CCN1CCN(C(=O)CN(C)[C@@H](C(=O)OC)c2ccc(Br)s2)CC1 1655376194 CYRCAGMMBYHPMW-MRXNPFEDSA-N 428.352 1.434 30 10 IDEE C#CC1(O)CN(CC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)C1 1660508272 RFTNPUICYPEDSD-UHFFFAOYSA-N 439.537 1.814 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1(F)F 1672354000 VRJGEICZRKHJOP-SJORKVTESA-N 434.443 1.889 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690104390 VLHMDCJIXXOZOK-QGZVFWFLSA-N 444.536 1.123 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccn(C)n2)CC1 1690139877 CZDBBHFHUGYLDZ-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1690159871 PHFFXCBEDIWIHC-KRWDZBQOSA-N 447.586 1.430 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1690175275 TZEPSSLPABGANR-DLBZAZTESA-N 441.623 1.602 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)C(=O)NC 1690178986 JXLAMNTUXOCXRS-INIZCTEOSA-N 425.562 1.701 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690274988 NFBLXDRKWMOSRC-NSHDSACASA-N 445.471 1.836 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690668886 MTKKKHDRPHOUDQ-UHFFFAOYSA-N 425.537 1.692 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1692603055 CEETYDSSNFBFEY-IBGZPJMESA-N 447.561 1.882 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1692665165 RFQPCDSJMHPQFM-HUUCEWRRSA-N 431.584 1.133 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696229433 XWJXPVISXAQMHT-DPPKGPFUSA-N 437.504 1.872 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698486512 LTKFTALIHFPFBU-XDSRXIPYSA-N 427.484 1.979 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1705494724 DYNKTLYPVBPKPU-HUUCEWRRSA-N 430.513 1.221 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1705559257 WACMQHZVUKYAMK-IYBDPMFKSA-N 446.552 1.400 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705561929 WZEDOQPUDVWQSY-HUUCEWRRSA-N 435.516 1.912 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705565025 FLRMRLJPRIWXJM-SFHVURJKSA-N 443.573 1.970 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705567949 DGMALMDAHZZZKZ-ROUUACIJSA-N 430.578 1.813 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1C 1705580501 KPFYYEUWNGXYQM-QZTJIDSGSA-N 440.573 1.984 30 10 IDEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1705691572 HZEOBIVIRFKRFK-CQSZACIVSA-N 431.294 1.949 30 10 IDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705826194 QYZWLXXLMVXBRV-RTBURBONSA-N 425.489 1.770 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705830059 IQKQNGBYGVRYMU-DLBZAZTESA-N 434.566 1.500 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705904467 QABWLLBWPXNYHS-QZTJIDSGSA-N 427.505 1.954 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1712639432 GFWWATHYUKQVDA-VHFSOBRXSA-N 432.456 1.353 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1722296074 NIKWXJDFAQIPOS-MJGOQNOKSA-N 431.562 1.620 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2c(CC)nn(C)c2OC)CC1 1722438878 FZJWPFFSCOYNGH-UHFFFAOYSA-N 434.548 1.372 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722457639 IBMUOSCPPHCACS-GOSISDBHSA-N 427.578 1.650 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N(C)C 1722468965 ZCEOQHFJECBYBM-OAQYLSRUSA-N 447.561 1.846 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1722679932 QFSDJBSZXIGRBK-GOSISDBHSA-N 432.569 1.513 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1722692562 REJKDDUIZYWPDW-QGZVFWFLSA-N 440.548 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722698074 UBJKXXVFGVVITL-INIZCTEOSA-N 425.518 1.985 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722698297 YEIMOEYYLDAJAC-UHFFFAOYSA-N 438.536 1.369 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722709288 MNVYSONQMBOZTK-RTBURBONSA-N 430.553 1.554 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC)CC1 1722723610 ASBDDZCMTPGZOK-CQSZACIVSA-N 433.600 1.116 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@H]1COCCO1 1727003747 NPTHCXUVJRJDRT-SJLPKXTDSA-N 442.568 1.837 30 10 IDEE CCCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1728195788 DSUZBWOGXIJQMM-UHFFFAOYSA-N 432.488 1.960 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1740657764 XMSKNASXFDUKSI-LJQANCHMSA-N 426.542 1.894 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCCS(C)(=O)=O 1740763608 NOOTVJPAMYJQGC-QFBILLFUSA-N 439.582 1.253 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1740764703 IXXZTZHJFYHKGS-POAQFYNOSA-N 433.553 1.842 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740765223 RWBYTZKSFSCVHN-MRXNPFEDSA-N 447.565 1.609 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ncccc2N(C)C)C1 1740970484 MKQHJBDJDCHOCU-QGZVFWFLSA-N 425.537 1.805 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1748697410 HMKIPDRMQGAXDS-JOCHJYFZSA-N 441.536 1.132 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1748806143 ZTAIBZRZZGQNPY-CVEARBPZSA-N 449.602 1.910 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn[nH]c1 1748940424 KRHHUUMOXSEVBB-HNNXBMFYSA-N 445.524 1.633 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](OC)c2ccccc2)CC1 1748972965 TVAIUXCJOPEXJG-HKUYNNGSSA-N 446.577 1.031 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1)C1CC1 1749519018 CRKQEVXJJWHDAL-YJBOKZPZSA-N 438.598 1.249 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC(C)(C)C1 1749650620 CPCKMFUTIWXCAT-UHFFFAOYSA-N 446.939 1.779 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1750066069 GDXGRKNFQOQAND-AWEZNQCLSA-N 447.517 1.209 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1752437801 LBBGSRSOCRKMBB-ZJYNUGOYSA-N 439.520 1.814 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1760095740 XUKKUJKEBOUADX-HGCBZUSOSA-N 444.580 1.242 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1C 1760219609 IUZUGEZZUAZFOX-QRVBRYPASA-N 433.578 1.510 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCn2cncn2)CC1 1760270294 OBYLWBITXIMDEQ-UHFFFAOYSA-N 436.495 1.266 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760355002 VNYVVZLTRGOFRH-QGZVFWFLSA-N 437.508 1.465 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760389851 VPGODEATZIBLAK-FUHIMQAGSA-N 441.598 1.565 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1760463434 CADUIWDZIKNGOL-OAHLLOKOSA-N 432.529 1.878 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CCO1 1760669188 VBHCKBANIRRILY-QGZVFWFLSA-N 441.879 1.848 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1764365699 FZOUQIWSOOGWPS-XBEJARPLSA-N 444.536 1.704 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768823689 WMYMCTBTWWDYOO-ZZEZOPTASA-N 444.536 1.907 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1768930729 CKMZWAYPNCSDKH-ZOKDDAQRSA-N 429.546 1.907 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1772566659 QWDLRPYLBFFLQM-QRVBRYPASA-N 443.596 1.622 30 10 IDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C)[C@@H]1CCN(C)C1=O 1849196818 GWZYXTGZPIRQSG-SJORKVTESA-N 427.954 1.888 30 10 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CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2367819078 OCIDGGHYVPTAGP-UGKGYDQZSA-N 434.558 1.709 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1 16557771 BWANLNCRWQKUEO-FQEVSTJZSA-N 426.494 1.949 30 10 IDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 105421622 LPBXSGATDKDXGX-INIZCTEOSA-N 429.590 1.993 30 10 IDEE COc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 460278205 AMIVYDNARMJYKQ-UHFFFAOYSA-N 445.497 1.397 30 10 IDEE CCN1CCC(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 466091555 FNYRQUCAWQSHRL-UHFFFAOYSA-N 433.578 1.696 30 10 IDEE C[C@H](C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)n1cnc(C#N)n1 466944568 XAFGSHXPNHFCGL-CYBMUJFWSA-N 435.410 1.512 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)C(=O)OC 481768105 YXIFQRBMUGQLMX-MRXNPFEDSA-N 425.438 1.429 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c(C)s1 489106435 WGPDUZNPSJMMRG-UHFFFAOYSA-N 440.572 1.635 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCS(=O)(=O)c3ccccc3)C2=O)cc1 505433014 DZQCXWVAEDMAKG-GOSISDBHSA-N 440.481 1.353 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccnn4)CC3)CC2)cc1 506544190 UXIVROHXAXTEMV-UHFFFAOYSA-N 440.529 1.098 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@]3(CCCOC3)C2)CC1 510589555 FOCQPNJXIIKCRA-JOCHJYFZSA-N 441.488 1.336 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 513561735 ZIGNRWOBYLRPRU-UHFFFAOYSA-N 430.534 1.223 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1Cc1ccon1 542941062 QQONPJSQJJIFKQ-UHFFFAOYSA-N 442.478 1.788 30 10 IDEE N#Cc1cc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1F 609465337 NHKVIHRGZNDSQV-UHFFFAOYSA-N 436.896 1.978 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc21 618854855 RHZZPKSJQDFRKL-UHFFFAOYSA-N 446.467 1.563 30 10 IDEE O=C(NCC#CCNC(=O)c1cc(-n2ccnc2)ccn1)c1cc(-n2ccnc2)ccn1 681338846 HKXUDBSDOPIGHF-UHFFFAOYSA-N 426.440 1.011 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#CCO)ccn1 703972281 AMDICJRHJUKGJS-UHFFFAOYSA-N 427.482 1.490 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 725763469 MJXZJUYXWQQJIF-UHFFFAOYSA-N 428.558 1.770 30 10 IDEE CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCOC 727415366 MOLMOZJFGQXPMC-UHFFFAOYSA-N 439.493 1.690 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 729332312 XNOFLZCQOOVMFI-AEFFLSMTSA-N 438.571 1.370 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(CC)cc1 730137662 GTDLFVUVRAGSQB-MAUKXSAKSA-N 447.605 1.773 30 10 IDEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCC#N)c1 731235022 OFDIOTQTMDMTJY-UHFFFAOYSA-N 435.889 1.957 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(F)ccc1I 732153192 GFVUAOODCTXVLW-SQFISAMPSA-N 429.189 1.687 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1NC(=O)c1ccncc1 732706930 RSZOFCYXSKPPJM-LJQANCHMSA-N 432.484 1.780 30 10 IDEE COc1cccc(N2CCC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 735261505 SSLKAGLYGSXKIA-OAHLLOKOSA-N 428.514 1.519 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 742178698 ZNESTKUSIRUROV-UHFFFAOYSA-N 440.934 1.370 30 10 IDEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742408612 MDTDBAKSQDFGTL-MRXNPFEDSA-N 442.541 1.884 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1 755206326 ZISPTSXIIJOPFD-NKFKGCMQSA-N 431.518 1.969 30 10 IDEE CCOc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1 771539601 PZFWMBZSYZTZDP-INIZCTEOSA-N 443.533 1.452 30 10 IDEE C#CCN(C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 774047976 HVKOBDJHMHGHHG-QZTJIDSGSA-N 434.518 1.641 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)n1 788693907 IBFLSJZABAHHBE-UHFFFAOYSA-N 446.529 1.316 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccc(F)cc3)c2=O)cn1 790113581 HAEAWXDJYMDLOP-UHFFFAOYSA-N 436.512 1.897 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(Cl)cc1 794068337 CDRSETVYUUNHME-KDOFPFPSSA-N 431.901 1.831 30 10 IDEE C[C@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)n1cnc(C#N)n1 798742991 BBEDMQHKUGZRCN-GFCCVEGCSA-N 430.877 1.946 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnn(C)n2)c1 807937775 MMONHVZMGCTLIK-KRWDZBQOSA-N 446.496 1.747 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 814612869 STBFAFIAWZZGRH-UHFFFAOYSA-N 435.483 1.436 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCC)C2CCN(Cc3ccccc3)CC2)C1=O 1134882170 GKWCDMMYSNBOJF-UHFFFAOYSA-N 426.517 1.866 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 1136672175 DHSVGUSKMAAGEI-MBUFOBGISA-N 434.246 1.173 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)CCn1cc(S(N)(=O)=O)cn1 1141986743 MUJNSLXSLNJAES-UHFFFAOYSA-N 429.296 1.887 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2N2CCC(CO)CC2)cc1 1150599663 ALZJWZDAGHOOTI-UHFFFAOYSA-N 428.514 1.684 30 10 IDEE N#CC1(C[C@@H](O)CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCOCC1 1167252031 QQNXMIHTGCLPOY-FCHUYYIVSA-N 427.593 1.987 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOc4ccccc4[C@@H]3CO)C2=O)cc1 1178769869 OYXJNGKVQMCAEK-MOPGFXCFSA-N 434.452 1.718 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC)C1CCOCC1 1213181014 BCFSBMRQEUCKKN-MRXNPFEDSA-N 430.548 1.554 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCN4CCSC[C@H]34)CC2)cc1 1248686065 OMOWVPQNCLCTLO-RTBURBONSA-N 449.602 1.154 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1254753413 CSTVPAZZNWCQKD-MRXNPFEDSA-N 434.566 1.790 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1286282882 OYXSRKKFNFCLMQ-RXVVDRJESA-N 449.563 1.736 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1286388760 BKLZDMFFJTXBHT-QGZVFWFLSA-N 426.502 1.059 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1286401091 IWQPADWZTMFIKH-UHFFFAOYSA-N 438.509 1.704 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(CS(C)(=O)=O)CC1 1286403167 KIZFUMVGQMDCDG-UHFFFAOYSA-N 442.541 1.860 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)NCCC)CC1 1286485823 ZLQZEDPVDFSOFK-UHFFFAOYSA-N 442.589 1.860 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286530584 POQIJNYZKSLKHN-INIZCTEOSA-N 427.303 1.356 30 10 IDEE C=CCCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1286690997 AMOVSFCJJXYDLQ-QFIPXVFZSA-N 443.552 1.873 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1286774793 ISCAXTUEQOXUKA-KRWDZBQOSA-N 439.582 1.125 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286786339 RAYKZQAAKUJPJK-ROUUACIJSA-N 440.552 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286814793 WBRKPKFZVCONNB-ZIAGYGMSSA-N 449.499 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCNC(=O)[C@H]1CC 1286816145 FWHODTCVRXYSOF-MRXNPFEDSA-N 433.534 1.269 30 10 IDEE CC(C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287667724 SLRRZLMTHZUSLY-LJQANCHMSA-N 429.569 1.640 30 10 IDEE N#C[C@]12CN(C(=O)C[C@@H]3C(=O)Nc4c(Br)cccc43)C[C@H]1CS(=O)(=O)C2 1289437543 YIJQJULBMLYCTQ-QAGHZCBJSA-N 438.303 1.272 30 10 IDEE C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)CCO2 1291325326 HZMNQLKHQBWAOW-VGSWGCGISA-N 427.505 1.600 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCOC1 1296534958 BVCZUEMJNBLQPU-OAQYLSRUSA-N 447.561 1.873 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300491323 HAEDADULXNUWFB-OALUTQOASA-N 441.557 1.407 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1300570137 ICCVHBBUSGBDIS-IBGZPJMESA-N 443.511 1.888 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1300651041 ZQXNDGRLCZNFQC-MBSDFSHPSA-N 441.532 1.773 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOC2=O)cc1 1300663775 FNYWACJHIDJDQM-UHFFFAOYSA-N 433.472 1.826 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1300708613 WPSZZFUTXBYWAH-UHFFFAOYSA-N 443.511 1.936 30 10 IDEE C#CCSCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300778114 MOPPUSDCDRTCIA-RTWAWAEBSA-N 435.594 1.648 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300880725 KIHJKMNNJVIBIP-YQVWRLOYSA-N 448.593 1.735 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCOCC(F)(F)F 1300950402 CJQVJOYXLZIMTC-CYBMUJFWSA-N 426.461 1.134 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1300989887 HCOIMRRZLYIITD-SFHVURJKSA-N 441.598 1.830 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1301809088 KIBBPSKRLBUBRW-JKSUJKDBSA-N 425.555 1.362 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CCO1 1303530558 FJOORMABHZWBFK-PMACEKPBSA-N 427.505 1.862 30 10 IDEE Cc1ccc(C(=O)NCCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1 1304260608 SUVGJZZCKHGXPH-UHFFFAOYSA-N 430.516 1.918 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCOCCCO)CC2)c1C#N 1304731368 PJQPUDDSXFECEE-UHFFFAOYSA-N 428.541 1.185 30 10 IDEE COC(=O)[C@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)CCOC1 1307945863 RLEBDRRKFZNBNL-RDPSFJRHSA-N 442.560 1.888 30 10 IDEE COc1ccc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1C#N 1311119888 AYQIARGTTSHOBM-SFHVURJKSA-N 437.504 1.984 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCN2CCCO)CCOC1 1314119369 HCAYCDVCCAQKFG-WWPVKYPJSA-N 446.596 1.907 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1358969783 WSDHCQMVTCSATB-ZWKOTPCHSA-N 440.573 1.412 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCC2)nc1 1358981508 MWIPOQFIYLNCIT-UHFFFAOYSA-N 431.544 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(Cl)c2)CC1 1359035482 VJZRDYTZDGOHAK-QGZVFWFLSA-N 428.924 1.695 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(C)no2)CC1 1359041393 VLBRVTJHLZSPLD-MRXNPFEDSA-N 430.509 1.313 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2COCCO2)CC1 1359041886 LKQRNROOVYUYLF-FQEVSTJZSA-N 439.516 1.335 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1)C1CC1 1359251441 LJTWHKQYAMUGKV-OAHLLOKOSA-N 428.580 1.160 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCCCC2)CC1 1359299591 IZGKHCRJIPDFQV-SFHVURJKSA-N 429.569 1.234 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359335683 RRQYQUORWIAIJA-LPHOPBHVSA-N 428.555 1.190 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1359601732 HPCFSFQJIATTKL-UHFFFAOYSA-N 440.504 1.969 30 10 IDEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1435542430 MWHYWGKNMKLKIB-MSOLQXFVSA-N 442.472 1.332 30 10 IDEE C=CCN(C(=O)c1nc(S(C)(=O)=O)ncc1C)[C@@H](Cc1ccccc1)C(=O)OCC 1435902205 YYVYAGFWYBZQMZ-KRWDZBQOSA-N 431.514 1.991 30 10 IDEE C#CCN(CC(=O)NCc1ccccc1OCCN1CCOCC1)C(=O)OC(C)(C)C 1442350076 CLJGKIULVMPVDA-UHFFFAOYSA-N 431.533 1.884 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(Br)cncc3s2)CC1 1443356405 MLGLAAIETYMCHP-UHFFFAOYSA-N 435.347 1.956 30 10 IDEE N#C[C@@]12CN(C(=O)c3nc4ccc(Br)cn4c3F)C[C@H]1CS(=O)(=O)C2 1456203546 BIEOADYKONNGMX-VFZGTOFNSA-N 427.255 1.246 30 10 IDEE C#CCN(C(=O)[C@H](C)n1cnc2c(N)ncnc21)C1CCN(C(=O)OC(C)(C)C)CC1 1471881105 GCOXYKSJPSQYIJ-AWEZNQCLSA-N 427.509 1.831 30 10 IDEE N#C[C@]12CN(C(=O)NCc3cc(F)c(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1478597754 CDALSGXZPJQYST-ZUZCIYMTSA-N 434.262 1.807 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1479545876 YZZXRDDQPSTZPY-QGZVFWFLSA-N 434.493 1.491 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1499680551 ICAALUFJABEYPA-ZBKJMMEJSA-N 447.499 1.958 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507571736 LJJCHZIZCAMOSN-BZSNNMDCSA-N 444.536 1.278 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)Cc1ccon1 1507609108 XBFYSDUAKLSBDU-UHFFFAOYSA-N 434.909 1.776 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1507688458 ATFITBSJRMRZTF-MJGOQNOKSA-N 431.562 1.874 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCSC2)CC1 1507740974 RJQOUFSSVNPNSN-QGZVFWFLSA-N 444.605 1.510 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1507760380 ZNWPHPZWAFJKNG-NSHGMRRFSA-N 447.605 1.960 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1507848125 UZDZHSQYWBXAOD-LJQANCHMSA-N 432.569 1.294 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508079273 QBMDVVJKZXLKTJ-QQMNAOGKSA-N 436.516 1.892 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1508105193 PSSHMZXQNHSLMP-RDJZCZTQSA-N 447.561 1.712 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1509937264 AQPVSDBAPNHMIN-LBPRGKRZSA-N 433.318 1.861 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H]1C 1515812337 FJFHVNKYLLPHFV-HZPDHXFCSA-N 431.566 1.285 30 10 IDEE COc1ccncc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1518547024 DNXXNWMJLDOEPK-HNNXBMFYSA-N 439.501 1.450 30 10 IDEE N#Cc1csc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n1 1538517183 IHEHQURKLRZUTF-ZDUSSCGKSA-N 432.483 1.268 30 10 IDEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539076959 YTLDXVQYTMVORZ-UHFFFAOYSA-N 448.571 1.908 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539085963 VJVJMLKTGIOCKQ-UHFFFAOYSA-N 438.492 1.557 30 10 IDEE C#CCCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OCC)CCOC1 1539087418 UIIXHOWRPOZGAG-QFIPXVFZSA-N 426.521 1.390 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(COC)CCOCC1 1539273396 QKTAETWVXCOEEY-UHFFFAOYSA-N 441.557 1.786 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539514297 PLJQAOVJVMJJAQ-JXFKEZNVSA-N 429.550 1.081 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1539533776 URPQBKSTORTQLV-IXDOHACOSA-N 435.594 1.514 30 10 IDEE COC[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CN(C(=O)OC(C)(C)C)CCO1 1539675268 ONVAOXJUPJHDCA-JOCHJYFZSA-N 445.520 1.254 30 10 IDEE CC(C)(C)NS(=O)(=O)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1540762114 IBXDDUUYGDMLST-RDYUPDBUSA-N 442.582 1.607 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1541111189 GSQXGYNTOZKVTB-JKGBWWFKSA-N 439.545 1.699 30 10 IDEE C=CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1544435890 ZYBHVBTWLZUGOP-UHFFFAOYSA-N 428.576 1.834 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1545422367 CNJDNKGKDLBQMI-AYAKEVCGSA-N 443.552 1.800 30 10 IDEE COC[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1555241459 IDOKPCCPOKIHKC-QGZVFWFLSA-N 438.536 1.276 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1555404401 FPTXMCFNQJFYRN-SIKLNZKXSA-N 443.504 1.386 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1555558136 MWZMZPAWCCQAHA-ZWKOTPCHSA-N 428.541 1.551 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1555992843 COBTXROKWLWAFF-RTBURBONSA-N 442.495 1.746 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1557722102 FTMUGHCDPUEEDR-UHFFFAOYSA-N 442.541 1.974 30 10 IDEE CCOC(=O)[C@H](c1nc(Br)sc1C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1560169051 XQYFCDWUQHKYQD-WBIUFABUSA-N 448.364 1.688 30 10 IDEE C#CCO[C@H](C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1586715872 RXMAWBJSZUAMRY-HIFRSBDPSA-N 429.336 1.757 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1587614535 KCDQIZUZLLTHLB-YJBOKZPZSA-N 432.488 1.577 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1587765463 GXUPJKZUDRYYLP-MSOLQXFVSA-N 435.594 1.869 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)N(C)C 1587937357 LLXDAQUJDPNWBM-UHFFFAOYSA-N 432.369 1.730 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccc(C(N)=O)c1 1587984720 JXGAXNHJVJPPDK-UHFFFAOYSA-N 430.516 1.669 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1587988711 BBEXOCLVUQIUNH-AWEZNQCLSA-N 433.538 1.864 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588045955 URJJBMBQATUBJF-IEBWSBKVSA-N 443.573 1.877 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588065340 XCYAYANFHPEVMR-PXNSSMCTSA-N 442.589 1.373 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1588078570 IQHUWEJFJLEAOQ-SFHVURJKSA-N 439.541 1.655 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CC)CC1 1588923483 ASLBQWOMEPZFPD-RTBURBONSA-N 441.580 1.069 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1 1589662846 CIIAUOAJGBHYLC-LJQANCHMSA-N 438.642 1.610 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@@H]1C 1595283539 RJFVKPARMJXWNJ-ZHRRBRCNSA-N 430.505 1.895 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595556159 PPSXSIBGKBUSSY-DOTOQJQBSA-N 428.924 1.539 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)NC)CC1 1595576892 AXLLQILCBNJTIS-UHFFFAOYSA-N 426.521 1.430 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595804932 IRTSZZVIJCCHFK-HXUWFJFHSA-N 435.525 1.311 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1617293039 IHESWVIMWZRBTA-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1620025638 RBLOEDYFMZNRGM-NEYJZJCJSA-N 435.525 1.459 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1620152328 DVTFIDUIZLZJKH-SFHVURJKSA-N 433.534 1.229 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCSC[C@@H]3C#N)CS(=O)(=O)[C@H]2C1 1624161420 VEYRRVMFNRMMRE-BARDWOONSA-N 429.564 1.124 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 1628433962 MKAIYKIPFWKSHX-UHFFFAOYSA-N 438.531 1.321 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)o1 1632501287 PTSXCUOJBWMFCC-DOTOQJQBSA-N 433.509 1.558 30 10 IDEE C=CCc1ccc(OCC(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c(OC)c1 1634511745 ZMDDCWJXIICONJ-GOSISDBHSA-N 433.530 1.924 30 10 IDEE CCc1cc(N2CCC(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)ncn1 1635316163 TXLFLKRXWOXMDX-UHFFFAOYSA-N 431.493 1.874 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1638968244 LYACXJHRDVYWJH-ROUUACIJSA-N 435.278 1.093 30 10 IDEE C#C[C@@H]1COCCN1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 1643379700 PHESXCCHYDUJBN-OAHLLOKOSA-N 425.938 1.787 30 10 IDEE C#CCOCCN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1648264142 FXXFGKLDONWGOJ-OAHLLOKOSA-N 443.363 1.958 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)N[C@H]4CCC[C@@H](O)C4)C3)cc2C1=O 1651502621 LYEZOANMJIFDRN-FGTMMUONSA-N 439.512 1.741 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)ccc1F 1652065615 CDYIRBZNELBLJM-LJQANCHMSA-N 425.482 1.641 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1)C(=O)OC 1669658284 VXLQBFUFRBHUDE-CYBMUJFWSA-N 437.301 1.304 30 10 IDEE CO[C@]1(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CCS(=O)(=O)C1 1676220817 YCCHHIYWDDPOGX-NRFANRHFSA-N 443.529 1.142 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO1 1681300791 JNWQNGWWNMVSHU-RDJZCZTQSA-N 429.477 1.904 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1682226676 OMCRBARARIZQNX-OJYYBLKUSA-N 440.422 1.802 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)C1 1684082842 JHYQQMPSGHCVMK-WOJBJXKFSA-N 432.952 1.979 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1685126917 BJIDLACQWFJYEK-LUKYLMHMSA-N 441.536 1.681 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1689842658 GFUYZEHVBQTJMO-WDWGUKLMSA-N 434.456 1.658 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCS(C)(=O)=O 1689924487 JJXRPGBHSJNBME-UHFFFAOYSA-N 438.579 1.132 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1689948805 GRODOQQXAVROFX-VGOFRKELSA-N 440.552 1.500 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1689990844 SPKLURQPJDKBOT-RCCFBDPRSA-N 438.619 1.942 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1690104595 AGJSPGZNWAOPTA-UHFFFAOYSA-N 427.402 1.773 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccc(O)cc2)n1 1690109343 OJDDGYLIZPOIBJ-UHFFFAOYSA-N 446.515 1.915 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1690245784 MZQLFDLCLSUIFM-HFTRVMKXSA-N 437.566 1.224 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(NC(C)=O)CC2)cc1 1690680395 RFABHFAAZDSJBF-FQEVSTJZSA-N 438.532 1.947 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1705500300 KLAGXBFGEMCXSX-IBGZPJMESA-N 449.559 1.207 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705502211 DNVFRNMHNFWTOM-MSOLQXFVSA-N 431.562 1.905 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705635947 SISQAHBWYNBVGE-FQEVSTJZSA-N 426.565 1.959 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705704478 VFJSANGQOINXFG-BJLQDIEVSA-N 428.537 1.606 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705735349 OBVCQTCHDWTSNL-QZTJIDSGSA-N 441.598 1.878 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1705884827 YRMWLLPCAGQYOT-SFHVURJKSA-N 441.536 1.148 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1705900642 KXBBJXDYXTUGAF-UHFFFAOYSA-N 425.522 1.129 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCCCCO 1708153803 VKDPKWIQRWACGX-SJLPKXTDSA-N 426.525 1.669 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)C1 1708293917 PSLMCWUBIKCDKH-IBGZPJMESA-N 426.521 1.975 30 10 IDEE COCCn1cc(Cn2c(C(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cn1 1712464107 CBTZHZUWWHWTEI-UHFFFAOYSA-N 435.536 1.886 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1722295732 LLJHNJAIEPOCOL-HKUYNNGSSA-N 429.546 1.782 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cnnn1 1722302582 JLXOHMSICRAUCN-HOTGVXAUSA-N 429.529 1.885 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722353893 VXUMMJCJMIEIFI-OAHLLOKOSA-N 440.426 1.338 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1722373782 MIFRXTRXUBAGOV-INIZCTEOSA-N 435.463 1.783 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CSCCS2)CC1 1722430665 HXTGLRXHFSHDHU-SJORKVTESA-N 425.624 1.606 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCC(C)C)CC1 1722437296 COVTUROHOHFZOE-UHFFFAOYSA-N 428.537 1.824 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCc2sccc2C1 1722447439 NHGQMDXSASTJHD-QGZVFWFLSA-N 428.562 1.435 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722453139 OLTCIBRNXASRED-SFHVURJKSA-N 434.610 1.331 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1722500036 AYLMGKDKSZUXMU-WSTZPKSXSA-N 427.553 1.823 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1722565938 GCXASBPGJQQNGJ-CEXWTWQISA-N 437.610 1.836 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)n1 1726058719 IMAPBIVVJJJLBU-UHFFFAOYSA-N 434.570 1.209 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCOCC1 1726957525 NRMVOEZURGJDOD-OAHLLOKOSA-N 439.520 1.575 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)C(=O)NC 1729071838 YMZHKCYAEGBWQE-UHFFFAOYSA-N 426.525 1.180 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1740610017 XESPNHJCAJKJEY-UHFFFAOYSA-N 448.575 1.287 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1740656254 JGYMYKNKVAWOQW-FQEVSTJZSA-N 445.589 1.964 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)CC1 1740700625 XLPVNTGAOLYNDG-KRWDZBQOSA-N 445.568 1.194 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC2)CC1 1740706877 GSZZFXFVXAAIDC-MRXNPFEDSA-N 428.562 1.636 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N(C)C)CC1 1740706879 GWCASWVCNPFYRD-GOSISDBHSA-N 438.576 1.793 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740795541 XCSQLQZJISECCQ-QZTJIDSGSA-N 438.536 1.751 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1740800718 SSOYAIMOPLWIGJ-UHFFFAOYSA-N 446.899 1.896 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740857039 AUYBHJXEYURHEL-QGZVFWFLSA-N 427.509 1.623 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1740941245 GDSIKCHPPPLNNW-MOPGFXCFSA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(CC(=O)NC)CC1 1740961895 LSAWYRXSSMZXOU-UHFFFAOYSA-N 428.512 1.663 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740964300 NEUGYXSMFDPUHT-HSZRJFAPSA-N 440.548 1.684 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1741129984 IZRBIUFVZVERJK-UKPHBRMFSA-N 427.484 1.308 30 10 IDEE CCOCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747332745 GSJVCCPSSBDBQX-UHFFFAOYSA-N 438.536 1.420 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1747410365 NLBKKMZEVNJIPH-UHFFFAOYSA-N 445.545 1.946 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1748841918 BRHXLDKFXDIIRW-MSOLQXFVSA-N 430.512 1.816 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1748863776 GYOBICOYPIFWQR-OAHLLOKOSA-N 432.575 1.516 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)[C@@H](C)CC)CC1 1749000913 DHYWFSSXVOWOIO-SFHVURJKSA-N 443.596 1.210 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749039049 OZCNREPHLYVJLC-JKSUJKDBSA-N 432.550 1.359 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749039502 VORGEKNOOFBUOL-SFHVURJKSA-N 448.593 1.113 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749277325 AJRYBEIWQWCTME-UHFFFAOYSA-N 449.003 1.883 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749456883 MRQANFNMSXCQOI-SFHVURJKSA-N 436.520 1.415 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCCC1 1749487701 GWCHKSWVUGKVJO-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749725792 ZYRNEAHKXUTLSG-ZDUSSCGKSA-N 430.552 1.317 30 10 IDEE CC(C)Cc1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750726591 LMBLXXHIHVQGRD-MODMUFLJSA-N 438.536 1.730 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1 1752277593 DUGDJVDGFOWAFO-INIZCTEOSA-N 435.492 1.077 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1nncn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760182691 LEZYUBVMVNYMOQ-SFHVURJKSA-N 439.545 1.657 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760189433 PBWPUAUBAVETHY-IRXDYDNUSA-N 431.566 1.092 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1760221440 WLHPNBIYZZFUFX-UHFFFAOYSA-N 445.527 1.228 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1760307889 XESSSUVZXUPXSG-NSHDSACASA-N 428.312 1.640 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1760358773 ZAIFTDNRIFMHQV-ROUUACIJSA-N 442.582 1.403 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1760389559 NGAOSIUPVKCDSI-INIZCTEOSA-N 436.538 1.436 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760440426 JSPQXKVGWOVSRO-HZPDHXFCSA-N 427.571 1.581 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760512030 YEMJMQXDZLXPTJ-KXBFYZLASA-N 429.594 1.809 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760529009 TYUCLDOOAMWKNE-SFNKJDCFSA-N 435.569 1.739 30 10 IDEE CC(=O)N1CCN(CCn2c(COc3cccc(C)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1760624200 DCXDWUFUBIXDET-IBGZPJMESA-N 439.564 1.926 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cs1 1762284182 QKOYICSGULBWII-LJQANCHMSA-N 433.513 1.325 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1765023059 GZOASEZXIAIZND-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)COCCO1 1766407100 GYPRWNNDDJGSCQ-NRFANRHFSA-N 427.509 1.213 30 10 IDEE CN(C)CCN1CCC(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1768511845 DGRBTXFRQMKHNE-OAQYLSRUSA-N 438.580 1.266 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1769089865 CRZOGXZXZOQWOX-UHFFFAOYSA-N 444.561 1.861 30 10 IDEE COC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)OC 1769235961 RYFLDGLXEGIDRH-ZIAGYGMSSA-N 439.314 1.436 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1771529492 OUZKWCFVJFTADL-JXFKEZNVSA-N 448.524 1.593 30 10 IDEE N#CC1CCN(C2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)CC1 1849018395 QOTUHSBODGEZLQ-UHFFFAOYSA-N 426.489 1.470 30 10 IDEE Cc1ccccc1N1C[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC1=O 1851208026 JYBRSQNBVCSVAD-FQEVSTJZSA-N 433.512 1.980 30 10 IDEE O=C(Cn1ncn(-c2ccc(OC(F)(F)F)cc2)c1=O)N1CC(F)(F)OC(F)(F)C1 1852847485 UACVCBMUKSNSMT-UHFFFAOYSA-N 444.263 1.977 30 10 IDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1854047103 AGWMYTLGNIJJSD-VQTJNVASSA-N 431.558 1.906 30 10 IDEE CC1(C)C(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)CCN1Cc1ccc(C#N)cc1 1857176883 MCHJRCOYMIEPHU-UHFFFAOYSA-N 432.546 1.179 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2OC)cc1 1858651402 RGXMPVGOZWWYPA-UHFFFAOYSA-N 447.513 1.737 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(CC)nn2C 1864324061 XBLPXHKHVITQHP-SFHVURJKSA-N 439.516 1.494 30 10 IDEE C#CCOc1cn(CCCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870562275 YLQJQLAHFGSXEJ-UHFFFAOYSA-N 426.473 1.473 30 10 IDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873594836 CXPHZHYTGFBBBA-UHFFFAOYSA-N 439.516 1.355 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1889300381 FCMFBCBNGNRSSB-FQEVSTJZSA-N 430.593 1.036 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 1891515636 UJXPZPAVXNMULK-UHFFFAOYSA-N 427.465 1.180 30 10 IDEE C[C@H](C#CC(=O)NCCn1cnc(I)c1)NC(=O)OC(C)(C)C 1902015742 BNZPYQXEIYBOCK-LLVKDONJSA-N 432.262 1.521 30 10 IDEE N#CC1(N)CC(Cn2cnc(I)c2I)C1 1960708259 RALADJBCLFIYIP-UHFFFAOYSA-N 428.015 1.723 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H](O)C1 2085656425 IEIKHTVUTKNPEK-QCKZDCLWSA-N 433.314 1.738 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539637 XSHQBKZSKUBWQM-ROUUACIJSA-N 446.353 1.972 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2158581823 AEHMASOCMGGVPQ-UHFFFAOYSA-N 444.120 1.073 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2223258718 XYKQOLKMPMWHHT-ARFHVFGLSA-N 440.346 1.412 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2247801522 CQWJVFGJHWTBQR-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE Cn1cc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825723 DTNXYGCUBIUSPU-UHFFFAOYSA-N 434.346 1.754 30 10 IDEE Cc1nn(C)c(C(=O)N(CCC(N)=O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255826843 SLVPJYASONQMRQ-UHFFFAOYSA-N 426.326 1.546 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266994127 QIPIERNTFWWJCP-ZIAGYGMSSA-N 446.357 1.623 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC12CC(NC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267171625 NFUQSMKPLAQZFU-HVPFBLEYSA-N 444.341 1.951 30 10 IDEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267541361 CFNZHWHMJFKPJA-AEFFLSMTSA-N 439.369 1.755 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@]2(C)CNC(=O)OC(C)(C)C)n1 2267579573 VETVPKHDTODIPR-NRFANRHFSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)nn2)C1 2271464649 LSDHISOLYIRBCG-UHFFFAOYSA-N 445.329 1.825 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1C 2337187800 JJKPOXGGYAYNTA-LSDHHAIUSA-N 448.373 1.918 30 10 IDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1NC(=O)C(F)(F)F 2337198519 KPOHRZDREVTWNM-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE CS(=O)(=O)C1(C#C[C@]2(OCCC(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)CC1 2367797717 WRQOOZVYHBHXNR-DYESRHJHSA-N 435.498 1.886 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1F 72444273 SGKNKMWGGBWYLO-UKRRQHHQSA-N 425.420 1.476 30 10 IDEE CCOC(=O)[C@]1(C)/C(=N\Nc2ccc(S(N)(=O)=O)cc2)C(=O)C(=O)N1c1ccccc1 100207741 IROMPQCBXOJPLO-MCIDSYJDSA-N 444.469 1.040 30 10 IDEE C#CCNC(=O)[C@@H](C)n1cnc(I)c1I 307308133 NPBSPKCLCMGERG-ZCFIWIBFSA-N 428.999 1.403 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1C[C@H]1CCCO1 427303421 ZZGYGLFKYKNKNQ-HXUWFJFHSA-N 449.576 1.749 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)C2)nc1 428810763 IKJWMYRVTCTWBM-KRWDZBQOSA-N 425.514 1.452 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@@]3(CNC(=O)C3)C1)CCCC2 434754450 ILZFPDGVBBKJPW-QMHKHESXSA-N 425.533 1.568 30 10 IDEE Cc1cccc(F)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 460592660 ORBDMNKUOLAQSJ-UHFFFAOYSA-N 430.461 1.477 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccccc3)c2=O)cn1 478847603 HEMUGCIUGNPRMM-QGZVFWFLSA-N 434.521 1.614 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CO)c2ccccc2)cc1 493991528 HTXMMROFOWSGDI-QGZVFWFLSA-N 431.514 1.324 30 10 IDEE CCc1c(C(=O)Nc2nc(C)c(SCC#N)s2)cnc2c1c(=O)n(C)c(=O)n2C 513711436 IMISWTDUTDIQNP-UHFFFAOYSA-N 430.515 1.828 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cn2)C[C@H](C)O1 516556409 DOJFRFCVTXBNQF-ROUUACIJSA-N 435.532 1.994 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C[C@@H](C)C#N)C3CC3)CC2)cc1 533150550 HTIJCSFTTZXLNJ-SFHVURJKSA-N 446.573 1.759 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 533277318 FGXQJXXHCRFYFG-MRXNPFEDSA-N 427.530 1.616 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 541286482 KLYBEHKGFAMILM-UHFFFAOYSA-N 439.566 1.739 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1=O 543047794 BZPYQGZCEAJTAQ-HNNXBMFYSA-N 441.435 1.780 30 10 IDEE C[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCS1(=O)=O 545194253 XRABHCWFHBDHSV-JKSUJKDBSA-N 434.562 1.475 30 10 IDEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 546080226 XXBOVTJQCGYXQR-UHFFFAOYSA-N 432.484 1.540 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546925816 VHFMGAMQEBQADR-UHFFFAOYSA-N 428.518 1.235 30 10 IDEE N#Cc1cncc(S(=O)(=O)Nc2nc(CN3CCN(c4nccs4)CC3)cs2)c1 562236372 GRURLJVDKSBXJM-UHFFFAOYSA-N 447.571 1.989 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)cc1 569247202 BWTYTERXYMHGHO-UHFFFAOYSA-N 449.486 1.656 30 10 IDEE COc1cc(CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cc(OC)c1 586858931 MNFPICQRAFQDNU-UHFFFAOYSA-N 440.475 1.675 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 588117664 MZWFYXKQKRDYCA-CQSZACIVSA-N 428.308 1.379 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 590914125 GFGUQMXUQFFDBI-OAHLLOKOSA-N 429.567 1.712 30 10 IDEE Cc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n2c(nc3ccccc32)c1C#N 603491325 UDWQGIZWKKWDNK-UHFFFAOYSA-N 440.529 1.367 30 10 IDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(c2ncccc2C#N)CC1 609805528 GKVAXNMMXOLXDU-IBGZPJMESA-N 434.548 1.391 30 10 IDEE CN(Cc1cc(C#CCCO)cs1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703975745 YJFZRDKHVPOBTM-UHFFFAOYSA-N 432.523 1.540 30 10 IDEE CCc1ccccc1-n1c(=C(C#N)C(=O)NC)sc(=Cc2cnn3ccccc23)c1=O 729670523 VBGVMESHJYZPJB-UHFFFAOYSA-N 429.505 1.358 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1CC 730141066 ZCLWWBKCHCBQBJ-YJBOKZPZSA-N 447.605 1.773 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 732677199 SBWZBSZPJNNNQD-HNNXBMFYSA-N 425.580 1.660 30 10 IDEE C=CCc1cc(C(=O)NS(=O)(=O)N2CCC[C@@H]2C(=O)OCC)cc(OC)c1OC 735772749 WGWSAAAGUFKPPI-OAHLLOKOSA-N 426.491 1.434 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H]1CCOc2ccccc21 742144339 GSWYQUDYROZSTM-LJQANCHMSA-N 425.473 1.956 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742702438 CVPMPYXQLNBUBY-HUUCEWRRSA-N 430.534 1.022 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749870818 VUUGLPULRDBOLW-HNNXBMFYSA-N 428.558 1.671 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)Cc1cccc(C#N)c1 750433513 AJPLEZAHWMLZKN-UHFFFAOYSA-N 441.509 1.874 30 10 IDEE COc1ccccc1N1CC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 757010395 KIKOQCTXLFDBOP-OAHLLOKOSA-N 428.514 1.519 30 10 IDEE COc1cccc(/C=C(/C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)n2nnnc2C)c1 760405060 DUESFVBLZOXEKA-PDGQHHTCSA-N 444.517 1.908 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 760777691 OQQSUUPUWAJTJS-QHCPKHFHSA-N 448.483 1.078 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)CC1 763215114 YLDHOPAMPYZSSS-UHFFFAOYSA-N 428.411 1.944 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 768078126 HYWCASQQHGNBBQ-JLUOLNIDSA-N 426.473 1.678 30 10 IDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 769936007 SYTLIECCMTTYEX-JLTOFOAXSA-N 433.871 1.445 30 10 IDEE C#CCN(C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 774161678 GXTAVHWDWLIQCJ-MRXNPFEDSA-N 444.479 1.901 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)Nc3nc4c(cc3C#N)CCCC4)cnc21 776350932 RXOLYKMEUPFTOL-UHFFFAOYSA-N 442.277 1.677 30 10 IDEE N#Cc1cc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)ccn1 795971795 UDQHUSNLXGFUKH-UHFFFAOYSA-N 442.497 1.601 30 10 IDEE Cc1ccncc1N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 799058458 SHQSREYIDHBNIR-UHFFFAOYSA-N 427.530 1.558 30 10 IDEE COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802494283 ACEGPHSRPJLHOJ-LJQANCHMSA-N 437.552 1.275 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCNC(=O)OC(C)(C)C 803034913 LMOXUSUXPWPFBT-INIZCTEOSA-N 425.507 1.932 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 803701543 XBEQGXRWAFTNES-UHFFFAOYSA-N 430.526 1.342 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 811870579 DMJORXTVUPDWQM-RBUKOAKNSA-N 434.581 1.716 30 10 IDEE C[C@H](C#N)CN(C)S(=O)(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 812529151 BGJIIASEDIOXNP-WWDZGPRUSA-N 443.614 1.776 30 10 IDEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 917768539 PTTCPGWHSIJZOH-OAHLLOKOSA-N 440.550 1.578 30 10 IDEE C#CCN(C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)[C@H]1CCS(=O)(=O)C1 1125953579 HVNGTBCOKUWONO-IPJJNNNSSA-N 430.526 1.684 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1 1136955322 FENVXFDLRJXOEM-APWZRJJASA-N 440.525 1.646 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 1144026060 ICFKPDPRGWBGHB-MJGOQNOKSA-N 449.349 1.205 30 10 IDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F)c1cc[nH]n1 1154025555 IGVZEPAFPDKLKK-HNNXBMFYSA-N 442.394 1.646 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1CCC2(CCOCC2)CO1 1177601668 ATYJHXCTXNPHNJ-MRXNPFEDSA-N 435.546 1.597 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)cc1 1178558309 WXKAEANZXURJQB-WDSOQIARSA-N 434.514 1.171 30 10 IDEE C#CCOc1ccc(CNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 1228584817 CIQTYGKOVCAVON-UHFFFAOYSA-N 431.518 1.085 30 10 IDEE Cn1cc(CNC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)c(-c2ccc(C#N)cc2)n1 1233989830 ANVPGUPPUROFNJ-OYRHEFFESA-N 427.530 1.925 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1286376029 CZMFTGYVDPCWOJ-MRXNPFEDSA-N 435.525 1.197 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286389351 ILAFJKCNQCXKTQ-MRXNPFEDSA-N 430.534 1.179 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286407699 OPYMBTULIRVBNB-JOCHJYFZSA-N 446.555 1.559 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1286426362 SSZQPOHSPIJRHZ-UHFFFAOYSA-N 436.516 1.775 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC 1286436239 CWBNJDVAPXXKMG-UHFFFAOYSA-N 428.356 1.940 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[C@@H]1NC(=O)NC1=O 1286436646 PYBIOBZHKCVVSV-INIZCTEOSA-N 432.488 1.783 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1286451916 PUJLBOPCIHTZGW-AWEZNQCLSA-N 428.559 1.215 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)COC1 1286457054 FAHSQJFSTJPJJV-UHFFFAOYSA-N 431.924 1.984 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCC[C@@H]2C)n1 1286471218 KEAHCOBYZDFPSL-YYDVJCTNSA-N 442.564 1.816 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286606793 ASYNQIHJVAQGLW-UHFFFAOYSA-N 449.515 1.996 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286606937 HLNMIDHIXRLTLK-UHFFFAOYSA-N 436.582 1.784 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286775524 LWEYIFBWUWYGDJ-UHFFFAOYSA-N 437.548 1.390 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286787792 JOXGEOIHQVOVDT-GJZGRUSLSA-N 430.475 1.895 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(Cn2ccnn2)CC1 1286789712 VYDCNEHLINCYBM-UHFFFAOYSA-N 434.548 1.988 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)C 1286795381 JAPZWPVEYDDBTA-KRWDZBQOSA-N 426.521 1.803 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1288323581 SZSZTLDVKLXPCZ-IIBYNOLFSA-N 434.541 1.210 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1cccc(F)c1 1288803824 FQIQEYPMLGHYJM-CQSZACIVSA-N 436.513 1.846 30 10 IDEE Cc1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)no1 1289367593 CBENQJWIHBROSN-UHFFFAOYSA-N 429.506 1.689 30 10 IDEE C#CCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424627 JWPUBPDJKDTBOU-DENIHFKCSA-N 428.537 1.834 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300481370 AABKPMZLKWMVGW-VQIMIIECSA-N 443.573 1.760 30 10 IDEE C#CCN(c1nnc(CC)n1CCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1300497944 FIJWKYBNDXQCJZ-CQSZACIVSA-N 441.355 1.126 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CC1(C(N)=O)CCOCC1 1300591597 UVRKMXKTVHCSLV-UHFFFAOYSA-N 435.528 1.911 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1300630254 AAFGBTAWGVMZKR-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)CC2CC2)CC1 1300692442 FJQQFUUUCHKXAE-UHFFFAOYSA-N 443.573 1.534 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300957170 OBGXJVYFPGJLTQ-QGZVFWFLSA-N 443.577 1.858 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300980433 IKSKUHKHJXDWMV-INIZCTEOSA-N 427.505 1.976 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1301490313 QMKCRIDLGCQRDG-UHFFFAOYSA-N 440.508 1.552 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1301506754 RJKJUQCVWFBFPJ-LJQANCHMSA-N 447.547 1.461 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301576883 BVRMMLKRJUBAAM-CVEARBPZSA-N 438.525 1.925 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1301951645 CRBFANLOHBBEAD-CABCVRRESA-N 448.549 1.694 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1303934234 PYMPTKFDTFGOTJ-QKLQHJQFSA-N 436.582 1.726 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1305890625 GNIBQVVYYSDLHN-DIYRITFWSA-N 430.509 1.314 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314877969 QXUFKZHAKFFSAQ-OSCRUYLVSA-N 446.552 1.950 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1358890055 KIGGYMRASAKQKP-YLJYHZDGSA-N 438.557 1.931 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1358890940 XKKODFOUHWVOIU-SJLPKXTDSA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1358955233 IDNAGJDTPLFYIP-CABCVRRESA-N 443.520 1.478 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 1359033234 UPLZEKDXKVPFCZ-UHFFFAOYSA-N 440.573 1.785 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359077688 IYLWNKXGBKWETD-XJFOESAGSA-N 448.387 1.516 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1359108127 CFIOXXJMCLJZAW-UHFFFAOYSA-N 444.565 1.775 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1Cc1cccs1 1359304323 VGHDNOMWCXBZNE-INIZCTEOSA-N 428.562 1.976 30 10 IDEE Cc1cc([C@@](C)(O)Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c(C)o1 1361002137 AKZDXOIYWUIYOR-SFTDATJTSA-N 430.484 1.960 30 10 IDEE CS(=O)(=O)N1CCC(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1435002034 FYCDLQCNDZNNST-UHFFFAOYSA-N 441.557 1.817 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1450330845 WEDFBKHDXYKVHN-QGZVFWFLSA-N 436.530 1.856 30 10 IDEE Cn1cc(Br)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1=O 1457536195 SPYWGWXPYIEDLV-LLVKDONJSA-N 425.283 1.733 30 10 IDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)c1 1465196584 AOJATMXPWAEJKU-BEFAXECRSA-N 426.448 1.797 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)CCOC1 1470982772 BUXCXINYNKPIRR-HSZRJFAPSA-N 441.532 1.186 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@]3(CO)C2)n(C2CCCCC2)c1C 1473832652 MRTVGMFHPZBJEK-HSZRJFAPSA-N 429.565 1.799 30 10 IDEE C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1=O 1478705139 AIJLITQYRYVLPZ-XYPVVTQSSA-N 448.520 1.457 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC(C)(C)O1 1494251868 DBPUTUFWUHTMKF-OAHLLOKOSA-N 434.504 1.974 30 10 IDEE CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1501526831 DRUCJNLYNNCBNJ-GJZGRUSLSA-N 437.522 1.528 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1502393572 NESKGNKGNYXXSN-KKSFZXQISA-N 434.541 1.210 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1505129228 DFRSFHHBZAZEFS-GOSISDBHSA-N 441.517 1.294 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507592911 GVTAOKUDOVMXNI-UHFFFAOYSA-N 431.562 1.785 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507632984 RBOCVCBGOAJQID-IEBWSBKVSA-N 432.521 1.986 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1507633794 HWLOHXGMRVVIOX-GOSISDBHSA-N 449.621 1.800 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1507646172 QRPLFXFMMRRLFW-LSDHQDQOSA-N 444.451 1.273 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2cnn(C)c2C)CC1 1507716127 MYQFYANHRNSAGI-UHFFFAOYSA-N 446.559 1.993 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C(C)C)CC1 1507727516 PVWYFYQJQKXSGO-NRFANRHFSA-N 430.578 1.432 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)CC1 1507803298 FRQNBQNMGWBXJI-NVXWUHKLSA-N 430.534 1.475 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507953140 CNFCATYINTXGAS-OXQOHEQNSA-N 434.566 1.632 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC2CC2)C1 1508111102 WHMOSUUZFIRJIL-INIZCTEOSA-N 425.493 1.233 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1510304381 VIYNPFLQNBOKKW-MRXNPFEDSA-N 441.561 1.924 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1515856847 HCWXGWZPSSISER-OALUTQOASA-N 428.562 1.924 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1516652520 ICPCVOVGAVCBMM-SFHVURJKSA-N 444.561 1.715 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1517500486 PUUVOKMYFQFFDY-GOSISDBHSA-N 428.562 1.895 30 10 IDEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1520505127 MLNKDTLUBWZIDU-NRFANRHFSA-N 430.578 1.985 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1521143198 GQSVXXRPJYXEQI-OAQYLSRUSA-N 440.529 1.496 30 10 IDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CCSCC1 1524652498 BQSFBLMYEDRUOS-UHFFFAOYSA-N 433.477 1.974 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539072825 WWDKXNASJLVEQG-MSOLQXFVSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539226490 ZFSUABLOGWYWMU-UXHICEINSA-N 433.622 1.978 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539230571 OIOHNOFYHBSFCA-ROUUACIJSA-N 432.546 1.827 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COc2ccccc2O1 1539397157 YWFYDFCNLATQMP-KRWDZBQOSA-N 448.483 1.851 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1540170417 NVFDDNLHHKQNHZ-HZPDHXFCSA-N 427.596 1.685 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1540869703 UUZGIMWXIYYJSU-SJORKVTESA-N 444.923 1.763 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1C(C)(C)C 1540876472 SIXZLZIRBCNZTO-UHFFFAOYSA-N 442.568 1.258 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOC2(CCOCC2)C1 1540902684 OISNMWUHZDFXSP-QGZVFWFLSA-N 440.566 1.159 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1540917490 XUIANXFZHLNUKK-MRXNPFEDSA-N 441.623 1.581 30 10 IDEE CC(C)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541346153 QGBWHJDQELNQEY-UZYVYHOESA-N 441.536 1.423 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1545170613 FLKAYQAMZWTTDX-WZONZLPQSA-N 435.532 1.790 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 1555388763 KPENVZBUIDRGHN-KCUHQSDYSA-N 427.505 1.597 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CC1 1555662598 OYCDFEGUKQQTCV-INIZCTEOSA-N 428.541 1.652 30 10 IDEE CC(=O)NCC(=O)NCC(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 1558166764 YNSDHOZDXLOTSM-UHFFFAOYSA-N 425.294 1.330 30 10 IDEE C=CCN1CC[C@H](N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1559909631 JWNFIQUEEFJMKJ-QRVBRYPASA-N 447.580 1.641 30 10 IDEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1560027146 SLHMXZDQHJPDGU-QGZVFWFLSA-N 437.562 1.435 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnc(O)nc2N)CC1 1567670737 CUOGAMVSQDDWHI-GFCCVEGCSA-N 426.905 1.449 30 10 IDEE N#Cc1cc(Br)ccc1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1584137079 JTHXZDABJWWFNF-UHFFFAOYSA-N 429.274 1.483 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1cc[nH]n1 1584249485 OPJASRAXBTUSLY-UHFFFAOYSA-N 429.408 1.847 30 10 IDEE COC[C@]1(C(=O)N2CCN(c3ccccc3C#N)CC2)CN(C(=O)OC(C)(C)C)CCO1 1584296210 FUIPSRBAHPLKTK-QHCPKHFHSA-N 444.532 1.859 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1586073993 AWVMPXWWBVMEQV-UHFFFAOYSA-N 443.529 1.073 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1588060086 ZCRWLFPZOQOADX-GOSISDBHSA-N 434.537 1.797 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1588806245 KVDQZLZUAMUDAG-PGRDOPGGSA-N 442.951 1.546 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCNS(=O)(=O)CC 1589251413 NYRKSPINYLNOJM-HXUWFJFHSA-N 435.525 1.928 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@H]1C 1595507061 VOMQORYOJHMOSA-CQSZACIVSA-N 425.522 1.165 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(O)c2)C1 1595744591 NFYTWUUFPAHZDM-QGZVFWFLSA-N 427.505 1.944 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(N(C)C)CCOCC2)C1 1595754386 NMGRWDVZZMDIPG-ZCNNSNEGSA-N 449.596 1.894 30 10 IDEE N#Cc1cccc(OCc2ccoc2C(=O)NCC(=O)NCC(=O)NCc2ccccc2)c1 1597508907 GLJPYVJMDPABBC-UHFFFAOYSA-N 446.463 1.893 30 10 IDEE C#CC1(O)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1603205429 OYVDLGUIOPJIEW-CYBMUJFWSA-N 427.320 1.056 30 10 IDEE COC(=O)CCN(CC(OC)OC)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1611427160 MASMUWTYLIMZCD-UHFFFAOYSA-N 435.326 1.918 30 10 IDEE CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1615768682 MLEYWARTERSKIG-ZVDNPCSMSA-N 429.569 1.922 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)C1 1620158517 BKMCLVSXVIHIFJ-LJQANCHMSA-N 445.545 1.779 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccnc2N2CCN(C)CC2)s1 1626059879 IGGKBWOSTKJTQH-UHFFFAOYSA-N 449.602 1.218 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(=O)NC[C@@H]3c3ccccc3)C2=O)cc1 1626571318 RARPERHKIXMJOG-RTBURBONSA-N 431.452 1.463 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1627086439 ZLZXHRQXROFEKK-LJQANCHMSA-N 434.581 1.886 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1634109177 XKSLCVUMVDSOHK-KCQAQPDRSA-N 432.481 1.563 30 10 IDEE Cn1cc(C[C@H](CO)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1635265425 LBLBIYTZICNAKX-KAIODVNGSA-N 431.537 1.474 30 10 IDEE C#CC[C@@]1(C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1638204158 JTEXTVKCRIQFSF-NRFANRHFSA-N 430.509 1.115 30 10 IDEE COc1cc(CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)ccc1C#N 1640206516 NTXATFYWUJSOKG-MRXNPFEDSA-N 437.518 1.607 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4nnc(C)n4C)CC3)ccc2c1=O 1641705809 CBJOJHJXEWNTGN-UHFFFAOYSA-N 425.518 1.271 30 10 IDEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1643758502 PLHVLXUXQKVZNW-KRWDZBQOSA-N 436.534 1.716 30 10 IDEE C#CCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 1652173785 YQRJYYZQVFYWNR-UHFFFAOYSA-N 428.352 1.331 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CCO2)cc1 1652920304 YLFRNAZQKUUHTG-RTBURBONSA-N 440.887 1.786 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCOC[C@@H]3CNS(C)(=O)=O)c2C#N)C1 1654419107 ZFRLHWRBKZDUQS-KBPBESRZSA-N 440.591 1.323 30 10 IDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1666460635 IVAURIBFTKNEHB-INIZCTEOSA-N 427.523 1.555 30 10 IDEE C#CCC1(O)CCN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CC1 1682563752 VNGJIJUFVRFUFL-UHFFFAOYSA-N 440.588 1.918 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1687386787 SADYBIAUIIPDSX-LJQANCHMSA-N 443.529 1.737 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCn1cc(CO)nn1 1689842204 WGCZEHWTQZXYBJ-OAHLLOKOSA-N 425.493 1.594 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1689979527 CRZGJIGZUSKSAQ-SFHVURJKSA-N 439.545 1.657 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689982388 LYWRVRUCZQJVNM-QGZVFWFLSA-N 445.501 1.395 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1 1690095976 KJQVMWCNNNIMLX-UHFFFAOYSA-N 428.518 1.216 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCOCC2CCOCC2)CC1 1690144222 PVNCNTXQMNRYHZ-UHFFFAOYSA-N 429.565 1.955 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1690264800 DGBIGALELBPTGF-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C)C1CC1 1690539180 XNAWKCOODRKHQW-UHFFFAOYSA-N 431.566 1.790 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1690622052 GVFZUEFUSZWCPN-MSOLQXFVSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2ccccc2)CC1 1690669883 RGOPEPCZOQGPRM-SFHVURJKSA-N 436.516 1.631 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690673812 FPGKTHYGZOFXJG-IBGZPJMESA-N 443.621 1.449 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1698213919 CDAVEUDYOYAGJB-NRFANRHFSA-N 440.548 1.781 30 10 IDEE O=C1CC[C@@H](c2nnc(N3CCCCCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)N1 1698523952 YFFSCZQNZJYTNM-LZICOFPGSA-N 427.509 1.526 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1705542084 YFCXTJFCDQHJOH-CXAGYDPISA-N 445.467 1.408 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1705569894 KYIAUHXGJCVXFB-IBGZPJMESA-N 445.589 1.953 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N1CCOCC1 1705630040 DJWAMTIIDBZVNQ-UHFFFAOYSA-N 441.532 1.419 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)COCC3)CC1 1705634804 JPLIHBNFYGGSLA-IBGZPJMESA-N 439.560 1.878 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1705635030 PGWQUGCLLMYBCZ-ZJSXRUAMSA-N 444.624 1.950 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)Cc1cnn(C)c1 1705901572 PLLNEWYFUFIZLY-UHFFFAOYSA-N 447.503 1.656 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1705907211 DNMXDAUBNKIKKA-KRWDZBQOSA-N 427.505 1.775 30 10 IDEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1705910682 KASFFROQJIHUQX-UHFFFAOYSA-N 431.562 1.925 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1706172715 VDEURBIUIKRDCK-KRWDZBQOSA-N 427.509 1.907 30 10 IDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CCN1CCN(C)C(C)(C)C1 1706590466 HWQQUXWAHUAKFW-UHFFFAOYSA-N 430.601 1.572 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cs1 1707755175 GMWCXHYYOATBQF-PXNSSMCTSA-N 433.557 1.923 30 10 IDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCOC1)S(C)(=O)=O 1710140495 BIIDYXUZYGLACV-SFHVURJKSA-N 446.577 1.961 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1710238115 ASLXZPXEAPFGSN-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE CN(C)c1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1711002837 GCSPRTGFIKBETC-LJQANCHMSA-N 446.515 1.963 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)CC2)nc1 1712881400 SENSLYVQNPIOGN-OAHLLOKOSA-N 446.462 1.104 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722321839 KZKZKOXZNHHBII-UHFFFAOYSA-N 445.549 1.247 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(F)c2)CC1 1722448411 UDJAQAUCXLMNMO-GOSISDBHSA-N 442.470 1.522 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(N)=O)C1 1722484008 JLVVGDWJMVCJND-NSHDSACASA-N 437.298 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722727802 RKIKGMZVDCPYAJ-INIZCTEOSA-N 430.596 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCCOCC1 1722732433 ZBLOCFKLWJSHLC-UHFFFAOYSA-N 436.534 1.693 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1726699074 OHURNKPTPTWRFE-NHWLHPCLSA-N 432.550 1.640 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1727801223 HZVUZLKZZVCYIZ-VQYLBFNNSA-N 437.504 1.870 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCS(=O)(=O)C1 1740609865 UOKNHTDZULUQMD-HXUWFJFHSA-N 427.486 1.219 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC(O)CC1 1740610106 SHAQEDUDZJPADJ-UHFFFAOYSA-N 438.580 1.368 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1740625965 QUYRIVIOMLVTIG-KRWDZBQOSA-N 432.546 1.923 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740686060 OBCWTKPTDCVPCG-TWFHAPMSSA-N 436.578 1.207 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)n1 1740689399 VMPSVJAGDZJICX-FDDCHVKYSA-N 444.580 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2c[nH]nc2C)CC1 1740700483 BBWJXFDMUNCTNT-UHFFFAOYSA-N 440.552 1.046 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2nncn2CC)CC1 1740703775 DXYDSAKMYDSJIP-UHFFFAOYSA-N 448.531 1.579 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740952432 DXJZOHRNYKMWAN-INIZCTEOSA-N 433.516 1.771 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740956366 QEDJYXNHSBGOPQ-CJNGLKHVSA-N 430.896 1.835 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1ccccc1CC 1740957259 HQDGNRCPAQMPEP-UHFFFAOYSA-N 436.520 1.618 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740962461 DYUICNGPCCZOSC-UXHICEINSA-N 441.532 1.586 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1740992755 MVJCRWNLZAIWPV-OAHLLOKOSA-N 437.953 1.435 30 10 IDEE CC(C)CCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1741525075 GBWHHDRBROPAOR-FQEVSTJZSA-N 443.596 1.887 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1Cc1ccc(C#N)o1 1741928595 SRUOBHNUCXXPOQ-FZKQIMNGSA-N 436.563 1.735 30 10 IDEE CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCOCC1 1742010756 HPIGQNQSLBEBTG-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1745751561 BUKJQLVOVASLIY-HZPDHXFCSA-N 448.531 1.939 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1748315654 FGOZTMDRLWIIHQ-ZWKOTPCHSA-N 443.529 1.783 30 10 IDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1748747353 GSNNZSAZCMEMNZ-INIZCTEOSA-N 433.516 1.790 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)(C)C 1748831355 LWVGUWROCQMFII-UHFFFAOYSA-N 441.557 1.726 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cccn1 1748960263 FUQJPNXGNJZLCL-UHFFFAOYSA-N 446.515 1.565 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1749159140 PPJPHVJIUQCPBX-RBUKOAKNSA-N 439.626 1.939 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749251426 FGFZLWVQIALFCA-HRCADAONSA-N 447.005 1.188 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749730686 MYELJIHBTJSWFJ-OAHLLOKOSA-N 441.579 1.278 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccccc2CC1 1749731479 FFOZFNZBPZWQJZ-SFHVURJKSA-N 429.546 1.435 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCC2)C1 1750510217 MWNJXSAAGOTJOH-XHSDSOJGSA-N 432.525 1.693 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)F)CCOC1 1751017194 DJSVXPPMEMVANR-FQEVSTJZSA-N 440.495 1.830 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCOC(C)(C)C 1752280503 DQDXACHBUUXLAW-DLBZAZTESA-N 440.552 1.974 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1752452635 QSVKJMRUMXYGAJ-QRWLVFNGSA-N 433.534 1.228 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1760163547 WACMQEPKFGPNHK-GFCCVEGCSA-N 441.941 1.677 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760189358 IFEZNQSBHDOECD-SIKLNZKXSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1760190201 UFTMEPCDFXYXPO-HNNXBMFYSA-N 443.558 1.369 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCn2cccn2)CC1 1760271720 IQXBZUWZZXGFPB-UHFFFAOYSA-N 432.532 1.517 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOC 1760294781 GNMIAHOUHAQUDR-VQIMIIECSA-N 425.555 1.030 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760299777 HKNFUSYIKSUZOU-ZDUSSCGKSA-N 441.330 1.746 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1760312773 DHZVGEXCJOHEEG-DLBZAZTESA-N 434.541 1.676 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1760312997 HNVJKCFRBKBTFA-AZUAARDMSA-N 444.580 1.942 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)COCCO1 1760505280 QFAKBFNVMFAXCU-JOCHJYFZSA-N 426.521 1.961 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCc2cccs2)CC1 1760514895 NXCGGMFRNKHIQQ-UHFFFAOYSA-N 445.593 1.145 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1760521362 QQLXYUYZPNLMQF-MSOLQXFVSA-N 440.504 1.118 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760525573 KHICGNKKXREHGN-IBGZPJMESA-N 435.536 1.616 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760526644 DYYQGTQCTJNXCN-LJQANCHMSA-N 440.548 1.479 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccn(C)n2)C1 1760540035 ZWXLYJLXUUOZHE-GOSISDBHSA-N 442.545 1.912 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1760818422 PHTJVHIZQVYJGU-JOCHJYFZSA-N 427.505 1.885 30 10 IDEE CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1762401155 HTJYJGCHKAKMRQ-MRXNPFEDSA-N 433.534 1.628 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1763267676 NHGQPUCRMXVVFB-FOIQADDNSA-N 433.534 1.228 30 10 IDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1765360368 TZTAFVRXJVYQSU-AATRIKPKSA-N 437.548 1.953 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1769267275 PZYKOUNLGFMCQF-KDOFPFPSSA-N 425.461 1.775 30 10 IDEE Cc1ccc(-n2c(C)nn([C@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)c2=O)cc1 1851703531 UNOCGXAGPOMDPG-QGZVFWFLSA-N 431.500 1.827 30 10 IDEE CN(C)C=NC(=S)N(C(=O)C1CN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 1852596922 BIUODOJCLZLJDG-UHFFFAOYSA-N 436.481 1.805 30 10 IDEE NC(=NOCCC(=O)N1C[C@H]2C[C@H]1CS2(=O)=O)c1ccc(OCc2ccccc2)cc1 1853589810 DCRFAHYPIHNJQD-AZUAARDMSA-N 443.525 1.691 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1[C@H](C)CCC#N 1856260295 WTLSPSZIXQNUFY-SJORKVTESA-N 432.546 1.836 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCC3)cc1Cl 1856351465 FOLCWZOWCNWLLW-UHFFFAOYSA-N 425.894 1.935 30 10 IDEE Cc1cc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)ccc1F 1856602572 HPNLDULFZLTHKE-GOSISDBHSA-N 437.493 1.980 30 10 IDEE C=CCN([C@H]1CCCN(C(=O)c2csc(-n3cccc3)n2)C1=O)[C@@H]1CCN(C)C1=O 1856735832 PZIVDPLIWVJGOQ-DLBZAZTESA-N 427.530 1.784 30 10 IDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)CN2CCC(F)(F)CC2)C1=O 1857051702 HOTIBMUCBXCCNI-CQSZACIVSA-N 440.472 1.587 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OC)cc2)cc1 1859010051 NOZJACAYYFQFFU-UHFFFAOYSA-N 430.482 1.645 30 10 IDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NS(=O)(=O)c1cccs1 1870095846 VZZLXVPGOCKTQZ-UHFFFAOYSA-N 448.442 1.835 30 10 IDEE C=CCN=c1nc(Nc2ccc(N(CC)CC)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871698281 IZNKITALVCHNIB-UHFFFAOYSA-N 426.569 1.596 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cs1 1891200002 BJQBTVWYIKPVKT-GFCCVEGCSA-N 428.470 1.365 30 10 IDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CC[C@H](C#N)C1 1982313722 LLTHZTOHZIQNHX-CYBMUJFWSA-N 447.558 1.084 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248414183 GBHUHOKYWMMKSN-TXEJJXNPSA-N 438.359 1.891 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n1 2255622386 ZACAGQDKKRQCCN-UHFFFAOYSA-N 435.334 1.197 30 10 IDEE Cc1nn(C)c(C(=O)NOCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626764 KDWUYBNLEYYSNB-UHFFFAOYSA-N 438.334 1.604 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2255822623 PCYJCCMEMWHZOE-UONOGXRCSA-N 432.330 1.553 30 10 IDEE CO[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255826404 ANDCTPVBHHTBHK-KGLIPLIRSA-N 436.318 1.073 30 10 IDEE Cc1cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255828865 XWFKHXYHUILMPF-CQSZACIVSA-N 438.330 1.845 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)nc2)OC1(C)C 2258231138 IEIRWAYIMMXUSW-UHFFFAOYSA-N 428.220 1.059 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267504237 PMVJBDDWLYRCOI-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873491 PUYPEZHVBAGLSE-KGLIPLIRSA-N 448.329 1.188 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267882253 PUNZAGQXSNJPNG-NWDGAFQWSA-N 442.247 1.305 30 10 IDEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc3C2=O)c1 2297475466 CUIBCHATVOAXOF-INIZCTEOSA-N 441.392 1.734 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 2337292747 UEZIZCHXDKBPNJ-JOCHJYFZSA-N 446.357 1.945 30 10 IDEE Brc1cccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 34895160 OTPDFCUHCYTKPA-MOSHPQCFSA-N 448.325 1.753 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cn1 59914146 LRTJQLZYCYSZJX-MNUWJXFPSA-N 443.537 1.250 30 10 IDEE N#CCC(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169860245 HNTDMLHRFJYPKE-NRFANRHFSA-N 444.491 1.915 30 10 IDEE N#CCC(=O)N1CCC(CNC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 219543393 IJKIOWRMDUPCBX-UHFFFAOYSA-N 441.444 1.239 30 10 IDEE CCCC/C=C/CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CO)(C(=O)O)N[C@H]2c1ccccc1C#N 248235177 BUDWEQGGYOXSBZ-AWJOIRLTSA-N 425.485 1.756 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC1 429045861 TVXICJVHNDTSQS-HXUWFJFHSA-N 431.606 1.233 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 460713595 ABAJQSSIZCFHCE-INIZCTEOSA-N 440.467 2.449 30 10 IDEE COc1ccc(CN2CC[C@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)c(OC)c1 489878297 ILOSHTZNMLIYDF-SFHVURJKSA-N 430.486 1.358 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@@H]1CCCO1 507081353 ZBTXJHFCHNNQTA-KRWDZBQOSA-N 427.501 1.342 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1S(=O)(=O)NCC#N 520352960 OFKFLDIYTUUJRX-INIZCTEOSA-N 428.518 1.743 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 521222027 GSGQWRPHCMYAPK-UHFFFAOYSA-N 436.493 1.363 30 10 IDEE CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)o2)c1=O 525266052 GFZIXAMKNIHOJI-UHFFFAOYSA-N 438.553 1.835 30 10 IDEE CCOC(=O)c1cnc(N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)s1 538148899 RFPVNAXFSSMCOG-KRWDZBQOSA-N 448.593 1.134 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CCc1cccnc1 543656377 BWRGIYMYDORHNB-UHFFFAOYSA-N 449.492 1.013 30 10 IDEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCS1(=O)=O 545194250 XRABHCWFHBDHSV-CVEARBPZSA-N 434.562 1.475 30 10 IDEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)CCS(=O)(=O)c2cccc(C#N)c2)CC1 578674112 XOQZNOJOOPWOMH-MRXNPFEDSA-N 427.592 1.714 30 10 IDEE C[C@@]1(C#N)CCCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)C1 612367951 KIQZPPVCUYIQCF-KRWDZBQOSA-N 442.335 1.955 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CC1 732649580 KQXMSESLSUFGMW-MJGOQNOKSA-N 447.517 1.337 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732651479 BCDMQFOPBJHTQK-GOSISDBHSA-N 445.589 1.740 30 10 IDEE Cc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(Br)c1 732909788 GPURIHQVIIUYOA-NNTXTVRGSA-N 425.304 1.737 30 10 IDEE CCOc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1S(=O)(=O)N(C)C 733887496 DTSWVKSPBKSDMM-VHEBQXMUSA-N 436.490 1.191 30 10 IDEE Cc1nc(=NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n(-c2ccc(C#N)cc2)[nH]1 740689222 ZBIJVOQVRVYFDH-UHFFFAOYSA-N 448.464 1.429 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 750432624 ITANGEKAONNMKM-UHFFFAOYSA-N 445.472 1.316 30 10 IDEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 752312818 TYDQGZNGTJGALE-SFHVURJKSA-N 438.571 1.478 30 10 IDEE C[C@H](OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)Nc1cccc(C#N)c1 755186970 OWBWZQBSIJJEQQ-WMLDXEAASA-N 444.488 1.944 30 10 IDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(Cl)c(F)c1 755206881 AYIGIICJKUTVTD-BXAQKGHLSA-N 434.855 1.784 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CCCN(CC#N)C2)C1=O 771587020 VYCSGKKHYVQOLB-AOMKIAJQSA-N 427.505 1.122 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(N2C(=O)N[C@H](c3ccn(C)n3)C2=O)c1 771920561 NQIZCLDXSRYZQV-KIJZHVTOSA-N 444.517 1.811 30 10 IDEE C#CCN(C(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1)[C@H]1CCS(=O)(=O)C1 774219966 SQHFYHLQLPJSMX-FQEVSTJZSA-N 440.525 1.690 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)cc(C#N)c2)n1 788694150 LSOPPYISSGDFOC-UHFFFAOYSA-N 437.319 1.988 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)n1 788848559 IGIAWSMUMXFXMI-JOCHJYFZSA-N 443.523 1.887 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1 789167710 ZDAOMUJNAWBEBQ-VXKWHMMOSA-N 434.544 1.647 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 800909462 FOYOBQXLNVRRGP-UHFFFAOYSA-N 434.743 1.158 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 812051940 KIIRLEABNZXHKA-IBGZPJMESA-N 427.530 1.122 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 916892714 LVUJBLXJQYUDTM-LJQANCHMSA-N 433.530 1.787 30 10 IDEE N#C[C@@]12CN(C(=O)CSc3nncn3-c3cccc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1156670851 ZLSFTMAWTUVGBO-SJCJKPOMSA-N 437.934 1.410 30 10 IDEE COCCOCCc1ncc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)[nH]1 1161250676 MTFUXGBHSHCWGV-UHFFFAOYSA-N 438.282 1.412 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1167536121 XGIKOGVKQGXJST-GASCZTMLSA-N 440.949 1.738 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(CC(=O)NC4(C#N)CCC4)C3)[C@@H]2C1 1175632183 YLAILSVFKAYQQR-XHSDSOJGSA-N 433.509 1.063 30 10 IDEE C[S@@](=N)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1197574013 PNOUUKOSXHDMND-ZYSBOAIWSA-N 448.593 1.565 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3ccc(OC)cc3)s2)CC1 1223270411 HFZZZMAWNNBTNG-UHFFFAOYSA-N 448.570 1.719 30 10 IDEE C#CC1(O)CN(C(=O)NC[C@H]2CCCN2Cc2ccc(I)cc2)C1 1227187557 LXNNNSXVDJEOBX-MRXNPFEDSA-N 439.297 1.645 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286349083 DYUMOLFJLRHNIY-HNNXBMFYSA-N 447.521 1.540 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)N(C)C 1286415334 JMDOTAUOCQWJDM-JOCHJYFZSA-N 433.604 1.666 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(F)(F)Br)CC1 1286473215 YYFLKGOVSBVEKP-CYBMUJFWSA-N 436.301 1.745 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1286474632 OAKGCTNENZCHPF-QHCPKHFHSA-N 441.532 1.259 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1286645112 UYDOKDAVXQTCMB-GOSISDBHSA-N 429.546 1.979 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C 1286672877 RHFREYAXQNUIBQ-MRXNPFEDSA-N 425.599 1.991 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1286766756 VUWYXSHANIWGHZ-JKSUJKDBSA-N 433.534 1.287 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286781728 YSFYWNKKYHCRMH-OAHLLOKOSA-N 444.540 1.574 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CC(N)=O)C1 1286784048 VCHUKVFUEULVKG-OAHLLOKOSA-N 440.504 1.110 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286784065 VRZLWFHBQYPUOW-FXAWDEMLSA-N 440.548 1.413 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286787236 DBJGYRQNBDDLOT-ZWKOTPCHSA-N 446.596 1.853 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286818173 CRYJNAPABAPHNV-QGZVFWFLSA-N 448.593 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286820979 WWISKDBJIYPDEI-QZTJIDSGSA-N 449.581 1.433 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2ccco2)CCOC1 1286961747 QWNGLKLRACHBTQ-HRAATJIYSA-N 430.509 1.938 30 10 IDEE CN1C(=O)c2ccccc2[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1287785858 NDHLUWYGRZYDFE-RBUKOAKNSA-N 431.452 1.706 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1288550477 BXHJSCMACNVFRK-WYIRRWHOSA-N 430.534 1.340 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300501686 NAXOXXZCSIZRRO-ROUUACIJSA-N 449.602 1.686 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300505169 YQYIIXAWRGNTJH-MOPGFXCFSA-N 437.610 1.562 30 10 IDEE COc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(C)=O 1300571786 DKIXSWCNQZODIK-HXUWFJFHSA-N 437.548 1.580 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1300631219 NPPGMMPTGBBOFP-QGZVFWFLSA-N 446.552 1.572 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300949038 NREGCLWMWJOVMB-IBGZPJMESA-N 437.548 1.244 30 10 IDEE COCC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301328593 LGMRZFLHKWXCEG-ZZEZOPTASA-N 425.493 1.662 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCSCCCO)cc1 1302989580 PATUZCYVYUUTMD-SFHVURJKSA-N 426.546 1.743 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304911501 LLCDKNMKMFUODA-OYFMKPPVSA-N 429.525 1.425 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1305590324 DVSRAGIWPZBWSV-PSKZRQQASA-N 429.477 1.407 30 10 IDEE COc1cc([C@H](C#N)NC(=O)c2cn(CCO)nc2C2CCOCC2)cc(OC)c1OC 1328526613 XULMVXKJIAZKLA-KRWDZBQOSA-N 444.488 1.790 30 10 IDEE Cc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nnn1-c1cnn(C)c1 1350736331 YZODFSZDJNLXCY-QJOMJCCJSA-N 442.505 1.374 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1358939957 LAROQZAIFHYGTJ-DYESRHJHSA-N 441.523 1.744 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358955284 JDASMEVNBYCDNX-MRXNPFEDSA-N 433.534 1.465 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(C)nn2C)CC1 1359046565 WYFNOTVAFSTWRH-UHFFFAOYSA-N 432.532 1.320 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NCCC 1359067704 YQGXPMRCDWHYGJ-JOCHJYFZSA-N 433.520 1.829 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCS(C)(=O)=O)C1CC1 1359096369 ALYCUBAIWGDSJO-HFTRVMKXSA-N 437.566 1.224 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc2O1 1359282769 PKXPJIUDHKWOJG-KRWDZBQOSA-N 427.505 1.879 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1359287600 NQYFPAAFOMDWKX-INIZCTEOSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359305013 QRLBNAIBHCTEBB-HOTGVXAUSA-N 436.557 1.856 30 10 IDEE CC(C)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359921367 GIAUGCLKKDULHG-OAQYLSRUSA-N 447.561 1.761 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1455201314 CKNLVPHUWHGQKR-IAGOWNOFSA-N 446.573 1.988 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)ccc1F 1455570033 VDDVJRCWJDUZDA-UHFFFAOYSA-N 438.481 1.237 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)Cc3ccccc3F)CC2)cc1 1455845091 LSCLYJNIMAVJQH-IBGZPJMESA-N 445.516 1.818 30 10 IDEE Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1469729334 KYAAJZLUUMOFLM-IZZLDSCCSA-N 444.536 1.703 30 10 IDEE N#Cc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1470074331 CGAUDJWTJZMOMS-UHFFFAOYSA-N 429.498 1.747 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC23CN(C(=O)OC(C)(C)C)C3)c1 1472398821 WOPSRAUFPOIWNE-UHFFFAOYSA-N 435.502 1.018 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1503838219 FDNUAVHVNSPJBL-CVEARBPZSA-N 432.550 1.760 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507645247 VVMNSSHCVVIUIX-INIZCTEOSA-N 442.501 1.208 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1507655556 KYNWLULMXDHGLB-UHFFFAOYSA-N 442.541 1.763 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOC1=O 1507663751 AVJJIDBHFFVABG-UHFFFAOYSA-N 445.487 1.226 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1507752231 WYMCBSFQPMLKLT-CQSZACIVSA-N 425.605 1.682 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1507807005 BUZLGNHUOJJURT-DXIQSLLYSA-N 433.553 1.580 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)C1CC1 1508073503 NUIJNJVWYQCTEJ-UHFFFAOYSA-N 432.550 1.486 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508080898 FTKIEYADSTXLAK-CVEARBPZSA-N 443.552 1.935 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1508088275 ADCGUQLBFYBNOY-HOCLYGCPSA-N 435.525 1.819 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(OC)CC1 1508090299 GWSGVYVZNPQJPK-NRFANRHFSA-N 446.577 1.967 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@H]2CCCO2)nnc1[C@@]1(OC(C)C)CCOC1 1508096612 BDOUUHKOSAMAQS-JBYIUTFZSA-N 433.553 1.769 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CC2)C1 1508111519 ZJDUKQZFWTZQGQ-INCQDFKNSA-N 430.534 1.618 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)C)CC1 1508139880 FBUZJJMNMLYCPH-QGZVFWFLSA-N 439.582 1.425 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1512427515 USBSFXAHWKWFED-RLBWVDARSA-N 435.488 1.138 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H]2COCCO2)CCO1 1521128530 DMEPWZRRDKEWQX-UONOGXRCSA-N 434.294 1.852 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1539126505 WRHPHCBDUTWZDR-KSZLIROESA-N 437.566 1.030 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1539175864 CIJJSQHGIHWCPT-INIZCTEOSA-N 439.582 1.897 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N1CCOCC1 1539406084 UCPRQHHSSPNNLY-UHFFFAOYSA-N 434.500 1.438 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCNC(=O)C(C)C)CC1 1539475403 FCQRLZSTSZZPRV-UHFFFAOYSA-N 425.537 1.401 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539629836 YNXABUMPZZPTJJ-AOIWGVFYSA-N 446.577 1.839 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)cc1[N+](=O)[O-] 1540296994 DPAUZKPTJDRPCL-FQEVSTJZSA-N 448.501 1.910 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1540535305 IYJMJUQUFUOVQC-IBGZPJMESA-N 434.581 1.840 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)C1 1540884111 KDAMJXYWAJFFKB-BFWZDYSYSA-N 441.598 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CCc1cnccn1 1540901836 QULMGABIROHQFY-UHFFFAOYSA-N 427.534 1.718 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N1CCOCC1 1545543759 JDWJEVQNFWVNQW-QGZVFWFLSA-N 438.536 1.244 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1547412517 INKLKEBUBQWSQM-SCTDSRPQSA-N 434.541 1.379 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCc1cnn(C)n1 1548172738 AUZRNHVMEVLWIR-UHFFFAOYSA-N 435.536 1.774 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1548321687 BTDRFZSQXOIEAS-UHFFFAOYSA-N 433.534 1.372 30 10 IDEE COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)N(C)C)c1 1554991101 BNQNVOJYAWTNLD-SPEDKVCISA-N 441.511 1.983 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CC2)CCO1 1555993619 AFKVJSGFOJEFBF-OAHLLOKOSA-N 434.294 1.873 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(CC(=O)OCC)n1 1557274457 BIGJCQSSTROJSZ-OAHLLOKOSA-N 447.517 1.682 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 1557383920 GMACLCDHOPWSHI-HXUWFJFHSA-N 430.530 1.877 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1583811542 GSYMXFMETYNLIQ-WCIQWLHISA-N 447.557 1.160 30 10 IDEE Cc1c(NC(=O)CSCC(=O)N2CC[C@@](C)(C#N)C2)c(=O)n(-c2ccccc2)n1C 1586808231 KFLZWDIPBAHWJY-NRFANRHFSA-N 427.530 1.918 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@]1(N2CCOCC2)CCSC1 1587562837 UHTZHRDWJQLVMU-BBTUJRGHSA-N 437.610 1.668 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1588040580 OREUAPDZQUMGNP-QGZVFWFLSA-N 428.518 1.678 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2OCC[C@H]2C)n1 1588723197 KBOBBIPEGZRNDH-BHIYHBOVSA-N 441.536 1.137 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)[C@H](C)CC)CC1 1588884914 OPKOGXVIBIHZKL-OPAMFIHVSA-N 432.569 1.179 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC(N)=O 1589569610 POAYGONAORJNRR-DOXZYTNZSA-N 446.577 1.951 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595501569 YCRAHPYHUVJJMD-MRXNPFEDSA-N 437.953 1.914 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1595523103 PSRMKKNORXRFGS-AOMKIAJQSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1595551352 PAGCRBHPLQMDJE-UHFFFAOYSA-N 428.585 1.451 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 1595805767 UJOIICJEKONAQC-UHFFFAOYSA-N 425.599 1.820 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 1611102017 HYBMFKKMYJKYKF-MRXNPFEDSA-N 432.322 1.819 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(Br)ncc3Br)C[C@H]1CS(=O)(=O)C2 1611164140 CELDUPFGEOXSFL-SDBXPKJASA-N 449.124 1.617 30 10 IDEE N#Cc1c(NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)nc2n1CCOC2 1617125884 OPYLMYXEULCIIU-ZDUSSCGKSA-N 429.864 1.804 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1618373664 FUKFPZFRIJFSJP-RTBURBONSA-N 437.585 1.294 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCn3ncc(I)c3C2)c1 1620610436 SIAQVWFAPRJBKE-UHFFFAOYSA-N 449.252 1.633 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1624816715 JYJMSNUMUQNXFX-JBYIUTFZSA-N 445.541 1.423 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)c1 1625118870 HBTUWLMEYVZHKM-QGZVFWFLSA-N 426.560 1.418 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)C2)c1 1641584720 VFRRVKVHQQJWPV-UHFFFAOYSA-N 441.444 1.991 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1643906627 RLSSXDQPWOBAFF-CYBMUJFWSA-N 446.451 1.409 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 1644597370 YFDULTDXGBNPSA-UHFFFAOYSA-N 426.491 1.492 30 10 IDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 1645381259 ZWYXZSZXSKWYAE-FPMFFAJLSA-N 447.435 1.425 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C(=O)CC)C3)nnc12 1648852138 RXHINQXUDCPFHK-UHFFFAOYSA-N 426.502 1.361 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c(=O)n1CCO 1656828227 JVPBZNURAPDBKT-IBGZPJMESA-N 442.472 1.289 30 10 IDEE N#Cc1cccc([C@@H](NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C(F)(F)F)c1 1659903506 KZTQEDXDTZJSBB-GOSISDBHSA-N 438.431 1.988 30 10 IDEE C[C@H](NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(OC(F)(F)F)cc1 1660310102 RPLYEDGOAKODDM-JDFRZJQESA-N 431.436 1.633 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1660652605 ZMDWSDCRRUMKBG-GOEBONIOSA-N 436.477 1.773 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1671495605 USYQISMIOAQQCJ-KSWRQPAISA-N 435.525 1.912 30 10 IDEE C#CCN(C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1673223746 LVQKRFRWQJLYGI-OAHLLOKOSA-N 432.951 1.336 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N(CC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)C1 1685177487 WDQYXBDAZIRJJE-OAHLLOKOSA-N 427.505 1.982 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689989637 HODWAKCOPIJEER-MSOLQXFVSA-N 432.550 1.004 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1689993785 LNTLNOLUKHXMFA-KRWDZBQOSA-N 442.570 1.704 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1690013168 DLVSYHZMVDXGST-XLIONFOSSA-N 446.511 1.316 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2cccc(F)c2)CC1 1690135403 VXUVUBBNZRTCMJ-RXVVDRJESA-N 443.523 1.975 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1690508826 QKFCLXSRTOQWHB-FUHWJXTLSA-N 436.534 1.944 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690734065 UVXXKZMYFQBQJN-UHFFFAOYSA-N 449.625 1.080 30 10 IDEE CC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694162518 FSPXEZIJADIHMF-UHHPSXQGSA-N 429.525 1.523 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnn(CCOC)c1 1694325523 DLZDCLWUTSDXSK-HXUWFJFHSA-N 432.504 1.530 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1698133871 GZNLZMPFCFMFLT-IIDMSEBBSA-N 429.518 1.411 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1698309477 PGFSOBUYAOTCFX-UHFFFAOYSA-N 428.474 1.324 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H]2CCS(=O)(=O)C2)c1 1705507340 YKLKMEPPBZVTBP-GOSISDBHSA-N 443.573 1.968 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705565484 VCGGZZMRZFFEFX-FHWLQOOXSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705572153 SGANEDPOQOFWTM-ZIAGYGMSSA-N 438.472 1.409 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1705588981 LYNPACGLAMWPJE-MRXNPFEDSA-N 442.545 1.358 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCn1ccnc1C 1705627140 WSINFMBJPUNCMF-UHFFFAOYSA-N 425.493 1.687 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cn[nH]c2)CC1 1705634019 GNUSWSKGBDQGJE-UHFFFAOYSA-N 429.326 1.757 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCOC[C@@H]2C)CC1 1705641428 FITBOVIWYAYIIW-QFIPXVFZSA-N 436.604 1.929 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1705861481 GYMXMASVNNFVDY-SFHVURJKSA-N 449.577 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCSC2)nnc1[C@]1(OCC)CCOC1 1705938733 IDXGZOGKBZVVEW-QAPCUYQASA-N 430.596 1.473 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1706665004 OCSXQESYVUVNQE-IBGZPJMESA-N 437.522 1.312 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCC(C)CC1 1712561198 HHKOHMJABIUEOL-PZJWPPBQSA-N 445.612 1.911 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1712886075 HRTACYKSIUESFQ-SFHVURJKSA-N 449.508 1.550 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1722359195 JGIKMRSXAKROHG-SFHVURJKSA-N 427.530 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N1CCOCC1 1722379320 OPWBYHPAEDUKSW-UHFFFAOYSA-N 430.512 1.759 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2csc(CC)n2)CC1 1722433047 JRNBRKMEWYUBQI-OAQYLSRUSA-N 430.578 1.753 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccccc1 1722446570 DMQUGFLLPLIVQV-QHCPKHFHSA-N 437.500 2.000 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2conc2COC)CC1 1722448046 QPBSOBMBIMJSSD-IBGZPJMESA-N 442.520 1.668 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1 1722471032 ZTOWQLMZIJYTPQ-OAQYLSRUSA-N 439.545 1.649 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1722490843 DTNMTTVPPKFBBQ-PFRQMTDMSA-N 441.598 1.875 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1)C1CC1 1722651059 PLWYFZJHOAXYQU-OAHLLOKOSA-N 427.596 1.661 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722696640 RKHMCHSPXRVPNW-INIZCTEOSA-N 432.550 1.026 30 10 IDEE C[C@@H]1C[C@H](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1726468539 CFKZQRSRKRLFHF-OAFZBRQQSA-N 425.530 1.827 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1OC 1730048532 FIUDMVSVVOHJNJ-VLIAUNLRSA-N 449.533 1.108 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1740539636 QLWLAJYPJPQVPL-QGZVFWFLSA-N 445.589 1.917 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1740615224 WWCALTMWSAJWND-AWEZNQCLSA-N 428.518 1.637 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1740638234 LLHGXICZUYHUBG-UZGSZPBKSA-N 441.576 1.515 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)CC1 1740693325 YBCKOUXQOYWXBO-UHFFFAOYSA-N 429.532 1.967 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC=C)CC1 1740706898 HRYPVWHEDVBHNR-UHFFFAOYSA-N 438.507 1.276 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1 1740966698 VSKPZOHWJMADBY-BGYRXZFFSA-N 441.532 1.977 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C(C)(C)C 1740994382 QQTBSIUQBKUWIG-UHFFFAOYSA-N 447.627 1.085 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1741132759 JTMUBBDBMFGDPA-KDOFPFPSSA-N 434.504 1.934 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1745775292 FSLQLWNARSVPBB-CZIZESTLSA-N 429.525 1.110 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1748671931 OKHQBBGITOESBB-CRAIPNDOSA-N 435.525 1.451 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748815758 TXIWILJZIDXWCU-NVXWUHKLSA-N 431.493 1.043 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748824463 CCEMXQJFEZUONL-MRXNPFEDSA-N 440.470 1.142 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1748836201 RTEPLVDITYATSN-IBGZPJMESA-N 443.515 1.252 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)C 1748876462 GWKKXQHLKFVAPC-UHFFFAOYSA-N 431.504 1.298 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O 1749082784 GOBBBNLDIDPEJN-UHFFFAOYSA-N 434.360 1.294 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(OC)CCOC2)C1 1749697695 MQDIZQJRIMEPNN-BVYCBKJFSA-N 436.553 1.906 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 1750382131 BZBURKVPQYQVIA-INIZCTEOSA-N 449.437 1.016 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2o1 1760194181 CTBASWXPLVDHFC-INIZCTEOSA-N 425.514 1.950 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC[C@H](C(F)F)N1CCOCC1 1760204043 AISDOYGPSMVORO-LJQANCHMSA-N 428.487 1.693 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760227928 QBODOPPLLILXPT-VQIMIIECSA-N 445.486 1.653 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1760242274 XXEALOGWQDPZGC-MRXNPFEDSA-N 443.508 1.136 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2C)CC1 1760253457 FNTCLKLPRLPHAD-SFHVURJKSA-N 430.578 1.195 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)N(C)CC)CC1 1760256837 VHPMGLIQVVOLMI-UHFFFAOYSA-N 430.940 1.841 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1760257538 YSBNWKRDTVLASS-YADARESESA-N 439.560 1.787 30 10 IDEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760285283 AYZOHWNZFOMQCW-GOSISDBHSA-N 440.573 2.000 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)n(C)c2=O)C1 1760548028 XAHIRLCHGHCBEV-UFYCRDLUSA-N 443.548 1.839 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1760549647 JHCPTBFBAGLEAX-DENIHFKCSA-N 425.489 1.661 30 10 IDEE Cc1nc(C)c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)s1 1762244135 BPAWMJDZKSPAFZ-AAEUAGOBSA-N 425.584 1.800 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1764908921 BOAKXMPGZADZHM-GOSISDBHSA-N 439.568 1.339 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1772660140 FTSIYSRGTPGPNW-LPHOPBHVSA-N 445.545 1.658 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](C(N)=O)C1 1772660375 NUBZPLHIUWXGNM-INIZCTEOSA-N 440.529 1.406 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3c(F)cccc3F)CC2)cc1 1849852556 ZPSNCRPYRQNVCN-UHFFFAOYSA-N 434.468 1.854 30 10 IDEE Cn1ncc(N2CCC[C@H](C(=O)N(Cc3ccc(C#N)cc3)c3cnccn3)C2)cc1=O 1852054233 CHYKNAOYXXEPOX-IBGZPJMESA-N 429.484 1.892 30 10 IDEE Cn1ncc(N2CCC[C@@H](C(=O)N(Cc3ccc(C#N)cc3)c3cnccn3)C2)cc1=O 1852054234 CHYKNAOYXXEPOX-LJQANCHMSA-N 429.484 1.892 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2F)C(=O)C1 1853953164 RMRWHEOXIHIOST-UHFFFAOYSA-N 433.436 1.829 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCC(C)CC2)cn1CCNC(C)=O 1870497096 VJIPUWFJMHDOIU-UHFFFAOYSA-N 444.576 1.796 30 10 IDEE C[C@H](C#CC(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902018763 ZGICSNBZUXTTKE-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060625335 JDIWZSIAGPZAIJ-HNNXBMFYSA-N 433.314 1.693 30 10 IDEE CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)[C@](C)(C#N)Cn1cc(Br)cn1 2075137073 VBNFOMDRHVBNCQ-IFXJQAMLSA-N 446.305 1.517 30 10 IDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2162568971 YFMFLVROEYJYNA-GOSISDBHSA-N 430.486 1.456 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2184059156 IXVUVNABDDAFLX-SOUVJXGZSA-N 440.294 1.990 30 10 IDEE C[C@H](CNC(=O)C#CCNC(=O)OC(C)(C)C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212226264 OAXCWYXVDSVOSM-VFNWGFHPSA-N 425.526 1.639 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416483 STHUONBMUAERMU-NWDGAFQWSA-N 438.359 1.749 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542720 WMFLJORVBBADRP-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE CCN(C[C@H](C)NC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255607870 DWEFPYIFYBKQPX-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628964 PEHFASNZTHYTKE-OLZOCXBDSA-N 438.309 1.786 30 10 IDEE COCCCN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255799154 CTSVVSKXLQWNSW-UHFFFAOYSA-N 449.382 1.947 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 2255818671 OHWWXGKVSRIQSI-HNNXBMFYSA-N 434.346 1.752 30 10 IDEE Cn1nc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2255839849 ZUSDPNNLSLIIFT-UHFFFAOYSA-N 434.346 1.802 30 10 IDEE Cn1nc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255842133 NDWPESSTKURFLL-UHFFFAOYSA-N 444.288 1.609 30 10 IDEE CC(C)(C)OC(=O)NC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2256018577 OEMAFOYUDDZZAS-UHFFFAOYSA-N 434.298 1.746 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256059418 KOPOVLRWAXSIOQ-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2267163669 IQPHJFWQICOPMI-IMJJTQAJSA-N 444.341 1.761 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504397 RGOWQFCZNFIIJV-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267523398 AWKIORJCOSRZRF-MIFYACCESA-N 446.357 1.657 30 10 IDEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267537145 OSJHILKZKQNWKH-SJLPKXTDSA-N 439.369 1.755 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2267573494 JUGUIRRCVQLBDH-QZTJIDSGSA-N 437.353 1.318 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1 2296614115 NNVSGDNXJFODKE-HXUWFJFHSA-N 442.491 1.930 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1[nH][nH]cc1CNC(=O)OC(C)(C)C 2352400614 LESWMIHRSOPVKJ-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 460812643 XVBUMCSKSYHRQE-IBGZPJMESA-N 431.562 1.791 30 10 IDEE CCOCc1nc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 461236181 HJVBQTXMMMJMRD-CQSZACIVSA-N 447.517 1.756 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@]3(CCOC3)C1)CCCC2 469527260 MLAOCNKKYBSAPH-GAJHUEQPSA-N 428.533 1.847 30 10 IDEE COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(C)o1 472803257 DKRCYQBRSSGVCN-QGZVFWFLSA-N 432.502 1.863 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCCC4)nc3)C2=O)cc1 505278988 BRMMPNXNPGHOTH-LJQANCHMSA-N 432.484 1.804 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2nccn(C)c2=O)CC1 508843818 FMDPOPDJJHITDO-UHFFFAOYSA-N 445.487 1.200 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 511767121 ATWFNWPRLXHVDH-FQEVSTJZSA-N 426.542 1.900 30 10 IDEE Cn1cnc2c1c(=O)n(CCCN1CCC(Oc3ccc(C#N)cc3F)CC1)c(=O)n2C 512844789 PKKLJTTYCYOBCI-UHFFFAOYSA-N 440.479 1.378 30 10 IDEE Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)cc1S(=O)(=O)NCC#N 520860468 BARSBWGOXYRGQQ-KRWDZBQOSA-N 444.538 1.951 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(F)cccc2CC)c1=O 527030542 KOKFMHOSQMWYPQ-UHFFFAOYSA-N 431.533 1.675 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 535234260 NJCIJNJLGQSJJF-UHFFFAOYSA-N 438.509 1.597 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)CC1 550055689 DRBTYGMICTWMTH-SJORKVTESA-N 425.555 1.050 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3ccccc3C(=O)OC)CC2)C1=O 553259491 RPDMSZSESUWNHG-UHFFFAOYSA-N 427.457 1.231 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 571251782 PCAIOXFMWRCTFM-AWEZNQCLSA-N 446.451 1.144 30 10 IDEE COCc1nc([C@H]2COCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)no1 574189774 MASVPWXIJCITSY-OAHLLOKOSA-N 443.851 2.532 30 10 IDEE CSc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 603797740 GEVPWYWLPSXUIB-MRXNPFEDSA-N 441.578 1.592 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)ccc1F 609220449 KSQKNYCNMYCJNR-MRXNPFEDSA-N 429.517 1.564 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2Cl)c(=O)n1C[C@H]1CCCO1 611078432 FXIBMSSYNACOKM-CYBMUJFWSA-N 438.336 1.645 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O 694910149 YVAJWZWWASXXHF-CQSZACIVSA-N 435.433 1.413 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)CC1 732280638 NHBHYUHVOIHAGP-UHFFFAOYSA-N 434.452 1.594 30 10 IDEE COc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c1 732978950 ZKLGFKOHQPANBS-OAHLLOKOSA-N 433.436 1.725 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)cc1 737989900 FLHYWKQWDNJHRZ-UHFFFAOYSA-N 439.537 1.880 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 749933563 LPZZOYLBMQNPRR-RDJZCZTQSA-N 443.510 1.128 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2OC)C1 760311555 QKLRUXKWPWBWMB-BBRMVZONSA-N 433.534 1.567 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760621085 SBYRAIUMAGRURV-UHFFFAOYSA-N 440.934 1.521 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C 763437156 LZLVIVZUYZXWRA-UHFFFAOYSA-N 436.537 1.202 30 10 IDEE CC(C)N1C(=O)c2ccc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2S1(=O)=O 763723472 QHEBOTWXYBBDCG-UHFFFAOYSA-N 436.453 1.944 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 775819084 ZWVSKWPNGQJKJH-OKZBNKHCSA-N 433.578 1.913 30 10 IDEE C[C@@H]1Cc2cc(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)ccc2N1S(C)(=O)=O 780205389 MDKVHVSYRDILMB-ZUOKHONESA-N 428.466 1.728 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 780212868 BTRNYJIKWNKDMC-HXUWFJFHSA-N 443.481 1.558 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 780905046 LBXYJTDVFPKQHA-GOSISDBHSA-N 425.470 1.001 30 10 IDEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCC2CS(=O)(=O)C2)C1=O)NC1CC1 786689124 RXGSVPCBVFWVCZ-INIZCTEOSA-N 439.534 1.861 30 10 IDEE COC(=O)c1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCCc2ccccn2)c[nH]1 789992137 UTEWRBQTZAZLAE-UHFFFAOYSA-N 436.501 1.880 30 10 IDEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)c1ccc(F)cc1 794895729 MKYHJVCQHCLNAZ-RBUKOAKNSA-N 446.500 1.858 30 10 IDEE CN1CCN(CCCN(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 807247756 DZPNZRPKJKTNAD-UHFFFAOYSA-N 439.585 1.999 30 10 IDEE C#C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 812021574 BLHFOMWKAKCWKK-GOSISDBHSA-N 426.908 1.842 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c(F)c1 1124153118 BLDMTTFSEKWHMU-UHFFFAOYSA-N 431.474 1.849 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2=O)cc1 1126632058 ZXMLFJYMURXTSE-QHCPKHFHSA-N 443.467 1.912 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2=O)cc1Cl 1128693330 GDIURUUQLLQNDP-XJKSGUPXSA-N 444.841 1.944 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 1136632650 FSQUIOQNFDJODQ-MRXNPFEDSA-N 434.334 1.599 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 1136872508 RVOGUTJDQFRTSZ-CYBMUJFWSA-N 429.429 1.580 30 10 IDEE C[C@@H]1CN(c2cccc(CN(C)C(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)S(=O)(=O)C1 1155870593 YSZGSPRMKXZAQS-WGLILOHCSA-N 446.529 1.347 30 10 IDEE C[C@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CCO1 1157516168 QZWPUUIJLXTHJD-NRFANRHFSA-N 443.481 1.648 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2nnc3n2CCC[C@@H]3C(F)(F)F)CC1 1176135651 BEJJUTTWDAXPRA-HOTGVXAUSA-N 441.502 1.842 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@@H](O)C4)C3)CC2=O)cc1 1177265283 INRHGGQNVJXVJP-ANTGDGSKSA-N 438.528 1.569 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)ccc1F 1180054871 TUNOKTUWSUBVJR-CQSZACIVSA-N 436.465 1.772 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H](O)c2ccccc21 1198086145 YLNORXGCOWSZHB-HEFCWWFNSA-N 433.530 1.714 30 10 IDEE C#C[C@H](NC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1)C1CCOCC1 1231333659 ZFKYKKNXEXSSCW-MJGOQNOKSA-N 433.549 1.779 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286387135 AUCTVGGVMAJUKF-UXHICEINSA-N 444.557 1.550 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CC)c1 1286438307 ULDZOFNUGKGJRR-UHFFFAOYSA-N 441.561 1.920 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1286452649 SBHRPGRRTQCEDC-OAHLLOKOSA-N 445.524 1.721 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1286460213 VSUSKLHSESXMOQ-UHFFFAOYSA-N 433.314 1.309 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)C(=O)NC)CC1 1286484401 NGYZSSVPHBTPSM-UHFFFAOYSA-N 428.512 1.524 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C)CC1 1286488401 NDRXEZLKYCRSRW-WZONZLPQSA-N 446.596 1.235 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1286566817 JHEJMPACWLDAHK-HNNXBMFYSA-N 426.587 1.740 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCOC1=O 1286718396 IGTVTULLYOKEHF-UHFFFAOYSA-N 448.549 1.660 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1286743614 MNQQHCGDERFEDA-MRXNPFEDSA-N 429.550 1.863 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)C1 1286810657 UNFPKQCMELLNRN-KGLIPLIRSA-N 442.492 1.601 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccon1 1286823262 SKSMTHBHKRBGFA-UHFFFAOYSA-N 441.517 1.742 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCOC1 1286824933 KJRXXUSNNBCUBU-JSGCOSHPSA-N 428.465 1.903 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1286945731 NKUACPJVRDXMPN-GOSISDBHSA-N 441.517 1.488 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)N(C)C 1288606484 DWVSRVSSUOZZFA-INIZCTEOSA-N 431.566 1.239 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1291664496 DDDWNJSXYWIWRI-MAUKXSAKSA-N 432.550 1.790 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1293241945 GRYQZGDPKZNFDS-FQEVSTJZSA-N 435.532 1.705 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C1 1296329946 OHEUZPDHBJTZQM-DLBZAZTESA-N 436.513 1.319 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCCC2=O)CC1 1297999833 BYVWFCBGTIIDHO-UHFFFAOYSA-N 435.532 1.886 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1300411569 UQGXKDROZRDZLY-SFHVURJKSA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1300479274 KROBIKLSPVBNRZ-INIZCTEOSA-N 447.586 1.445 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300497177 XVANHNWFIBRGLE-MSOLQXFVSA-N 432.521 1.791 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1300501298 IZUAICMDDUUAPM-KRWDZBQOSA-N 443.533 1.111 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1300682739 QEUOVGFHZKKTEI-UHFFFAOYSA-N 430.578 1.455 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(OC)CCC(C)CC2)CC1 1300706415 LJPSONJGTLRIGS-UHFFFAOYSA-N 428.581 1.751 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1300913346 VHIXHXUSDSWFIK-KRWDZBQOSA-N 432.550 1.522 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301492628 LSCOROSREQMIGL-HXUWFJFHSA-N 440.548 1.557 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1301553581 OOUONUPYTOILPL-ROUUACIJSA-N 428.537 1.560 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301613174 VJBHCZJHPSCJGH-HZPDHXFCSA-N 446.581 1.971 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)cc1 1301806643 OBLPRDYTUDOEQM-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1301808402 CXZDBAPVNOBRKP-IBGZPJMESA-N 441.536 1.428 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1316355642 IIJYNVNWXVGLBY-SFHVURJKSA-N 436.469 1.055 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)(F)F)CCO1 1316539449 OSFYKFBWDNOQAW-LLVKDONJSA-N 428.371 1.661 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1358871643 IMJSERRDCLRUBQ-HOTGVXAUSA-N 444.561 1.521 30 10 IDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358950565 PULVYLFKSLAOLK-RTBURBONSA-N 428.562 1.538 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358960431 DVOGJUWAPBVIRW-ZWKOTPCHSA-N 445.545 1.162 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1358985291 UYNNXRVWXKDOSA-HNNXBMFYSA-N 432.550 1.685 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1358985897 JQKJZXCMHCVXTC-QHCPKHFHSA-N 436.516 1.932 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOCc2ccccc2)CC1 1359031327 YBYPBOXWFSQFSK-XMMPIXPASA-N 439.560 1.902 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1359034910 GIBDUHZOYQSXDK-NRFANRHFSA-N 436.560 1.666 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccn2)CC1 1359126666 VGBQTGCCNYMLJF-UHFFFAOYSA-N 425.537 1.828 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359187555 PXYULLPMNRPTAZ-MRXNPFEDSA-N 438.598 1.692 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)c(C#N)c2N)cc1 1445156232 MGJWJNAXOHSKCU-JKSUJKDBSA-N 448.449 1.998 30 10 IDEE Cc1cc(O)nc(C(C)(C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1452709060 FRUYJRMLXOIEQO-UHFFFAOYSA-N 443.529 1.815 30 10 IDEE C=CCC1(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CCOCC1 1458869021 YKLVAUDXLKWZCB-LJQANCHMSA-N 429.565 1.741 30 10 IDEE N#Cc1cn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)nc1I 1459139905 BBTURYBEADREHX-UHFFFAOYSA-N 435.225 1.890 30 10 IDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1466318359 UTWZSPZUKVDXDT-KFWWJZLASA-N 425.482 1.527 30 10 IDEE C#CCOc1ccccc1CNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1468846779 AJEVRUVBQALMSM-UHFFFAOYSA-N 442.541 1.639 30 10 IDEE Cc1nc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)n[nH]1 1469706029 NODFHXOMDHSPSB-TZQQIIETSA-N 429.525 1.549 30 10 IDEE CCOC(=O)C1=CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1470798995 TUXGJVQXZWLCBI-KRWDZBQOSA-N 432.502 1.226 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)cc1 1470912001 RHKZJQCFSROXKF-UHFFFAOYSA-N 445.520 1.762 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccc(N2CCN(C)CC2)cc1 1479605858 XHIPJZFRTURYDR-LJQANCHMSA-N 448.575 1.563 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1507513601 NIHMFXBYCIFMSS-GFCCVEGCSA-N 438.866 1.701 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507635767 ZNXOVJRMPHLHQD-UYAOXDASSA-N 429.590 1.988 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1507651932 VCQNRIITNZEHSU-DQRAZIAOSA-N 432.459 1.607 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)C 1507680865 JUTSRNFUFAIQNQ-UHFFFAOYSA-N 445.593 1.921 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCCn1cnnn1 1507703436 ANOWZQAOCYOMMT-UHFFFAOYSA-N 445.325 1.870 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1507712078 BWCPJOKFJMSZGS-HXUWFJFHSA-N 433.516 1.608 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507731751 CEKWJVVUNXWIQY-IRLDBZIGSA-N 439.560 1.972 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507753200 JBUMBFXJJZHNDN-QUCCMNQESA-N 432.638 1.832 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507843595 ZRGLKXUUBPPCTJ-UHFFFAOYSA-N 430.557 1.901 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCC[C@H]1C 1510155425 HXAQAZOHIQQATF-SJORKVTESA-N 445.593 1.881 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1519110507 DRLFVHWXYJLYPV-IBGZPJMESA-N 426.521 1.784 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1521136761 HWDVOLYUNITJSX-QGZVFWFLSA-N 428.468 1.019 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)C2)nc1 1527485043 NPSXNWOAACKRBV-GOEBONIOSA-N 432.527 1.534 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C/C=C/CC)c1 1539037949 JMDJHIDTWJKCHP-ROJDOSBLSA-N 444.561 1.911 30 10 IDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1539190880 VQRUUAVLQNDDAV-UHFFFAOYSA-N 427.530 1.290 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539210863 HEPHLUGFQYWUDR-LJQANCHMSA-N 436.541 1.913 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539215442 CBQBPRFCKSBVRQ-INIZCTEOSA-N 437.566 1.697 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1539239913 SVZDBCHPJXMWHI-KRWDZBQOSA-N 439.491 1.912 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1539245861 LHILFBJVTOLSMG-UHFFFAOYSA-N 439.541 1.480 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1539430459 KFGJEWOIDLQTOH-ACRUOGEOSA-N 432.613 1.878 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1539445916 KJLLBMVZPPDAPL-IAGOWNOFSA-N 445.568 1.288 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539505534 KVEXFYGZQQFOJT-UHFFFAOYSA-N 434.591 1.567 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539512573 DBPUNUAWDCLEPL-BTYIYWSLSA-N 446.577 1.353 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)C(=O)C1 1539606885 RXHVZOSNPBRUIM-UHFFFAOYSA-N 434.342 1.859 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)[C@H]1c1ccnn1C 1540471182 RKVNPAMJZBXYAU-NNWRFLSQSA-N 436.516 1.118 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1540897395 ICDKEXNMCBCCFQ-UHFFFAOYSA-N 447.627 1.253 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CCOC1 1540900543 ZEXYFVIXMKMUKN-HNNXBMFYSA-N 434.518 1.747 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(S(N)(=O)=O)CC3)C2)C1 1542866807 SAEKGDCQZVCYPW-SHYRYGCCSA-N 426.539 1.053 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCSCCCO 1544576141 KGWMKKFVJAHQFM-INIZCTEOSA-N 444.561 1.511 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C(C)=O)CC1 1546578996 CIWPQVPRCBTUIX-FQEVSTJZSA-N 435.532 1.790 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN(C(C)=O)C1 1555558849 HHJNCZNXSUQERK-FQEVSTJZSA-N 442.568 1.765 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1555802002 VBDDBCKGBHOAAY-RBUKOAKNSA-N 445.545 1.494 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1 1557658925 RIIMFELNMLTIDQ-HWPZZCPQSA-N 427.404 1.492 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)c1cccc(C(F)(F)F)c1 1557947004 FUKGKSGHPOYKFF-OAHLLOKOSA-N 441.431 1.984 30 10 IDEE O=C([C@@H]1CCCN(CC(F)(F)F)C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1559033451 IWLZYAAPMJHIKY-CQSZACIVSA-N 427.379 1.691 30 10 IDEE C[C@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561555146 ASOOEFLRFLCJJD-WCQYABFASA-N 432.315 1.944 30 10 IDEE CN(C)C(=O)Cn1ccc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1562301461 HLUQHVVKEDXGKI-UHFFFAOYSA-N 447.503 1.587 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 1569670060 BVAXYUUNESDVPD-IBGZPJMESA-N 449.554 1.920 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1588083778 JUXLKGJURVPOFK-CEXWTWQISA-N 434.610 1.329 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588210968 QNQQPNCMCFIDFD-QGZVFWFLSA-N 429.521 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1588233093 ATPBJMPVNGMGQZ-UHFFFAOYSA-N 437.635 1.708 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)nc2OC)CC1 1588848505 IGBOFBFNXAMSSX-UHFFFAOYSA-N 433.516 1.480 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1593887354 YTGUSBRFRDOHGK-GJZGRUSLSA-N 429.974 1.674 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CCOC)CC1 1594096856 JMDFWXWGJLFKHC-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1595467151 QRKKQOSKCCHUGE-HXUWFJFHSA-N 445.886 1.606 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1595517467 ZDXYGOHCLXRHEW-IEBWSBKVSA-N 440.548 1.615 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2)o1 1596555375 RSJGJPOWWHUWTG-UHFFFAOYSA-N 440.382 1.212 30 10 IDEE CCCS(=O)(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1596907239 SYQMOXKIANXTKR-UHFFFAOYSA-N 431.511 1.057 30 10 IDEE C=CCn1cc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)cc2n1 1597381260 PONNVMHFGIRVDB-OAHLLOKOSA-N 439.497 1.861 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1611740257 CMWKQGXOZAMXEU-PVMRSWARSA-N 431.468 1.826 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)COCCO2)CC1 1611771142 UUKWUIGRYOTMFS-OAQYLSRUSA-N 425.493 1.861 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1612882665 BLOQJMVTOJEOHF-JZXOWHBKSA-N 438.536 1.636 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC(=O)N1C 1612912480 XEQBFSUHNSFYQW-MRXNPFEDSA-N 444.561 1.699 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@]2(CCOC2)O1 1612977693 GTBMWKKQVYSPHI-KSFYIVLOSA-N 440.504 1.201 30 10 IDEE CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1615731431 BMISMMCBWYZHFI-MSOLQXFVSA-N 433.520 1.820 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1617355981 CIZVXUJQQCWMLO-UHFFFAOYSA-N 444.561 1.640 30 10 IDEE N#CCCn1ncc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1-c1ccccc1 1617536456 BVSWLQOVFAPSPY-UHFFFAOYSA-N 428.514 1.884 30 10 IDEE COC(=O)[C@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 1620532521 NHKFYCWCIPXNCJ-QFIPXVFZSA-N 428.464 1.712 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC(C2CS(=O)(=O)C2)C1 1628119790 PXZNEFRFXCHRKP-IBGZPJMESA-N 445.541 1.896 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CCN2C1=O 1630758378 QHCVBQHCYVDRLZ-OJLPUSQMSA-N 445.520 1.268 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)CC1 1633014800 RHSPCSMKZRPMQX-HNNXBMFYSA-N 438.525 1.470 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 1634792125 TVVJUGBHHOHYCH-SJORKVTESA-N 427.567 1.471 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)s1 1634796184 WLZRSHWRFSCLKP-UHFFFAOYSA-N 434.348 1.432 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cc(Br)cc2c1NC(=O)CO2 1643492618 YXRSITAHBULXOX-MSUUIHNZSA-N 435.234 1.635 30 10 IDEE CC(C)CN(Cc1nn[nH]n1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1643820037 BVNIQHHVHXURJC-UHFFFAOYSA-N 431.522 1.157 30 10 IDEE C[C@](CO)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc([N+](=O)[O-])c1 1648017083 HWHSXCIUYNSPHF-WIYYLYMNSA-N 443.529 1.862 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1)c1cc[nH]n1 1651180683 JXWGVUUAPLQCIA-FQEVSTJZSA-N 440.435 1.730 30 10 IDEE CN(CC(=O)NCCC1=CCCCC1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1652511547 BORYIBKBXNGHRO-UHFFFAOYSA-N 446.573 1.970 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2nc(O)c3c(-c4ccccc4)csc3n2)CC1 1658100820 RJAHSFMUTXCEOQ-UHFFFAOYSA-N 443.554 1.649 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 1665355785 GIOQMLBIWQQTRI-CQSZACIVSA-N 433.328 1.404 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)c(Cl)cc21 1667096365 STMNFUBISBGUFL-ISLYRVAYSA-N 438.893 1.054 30 10 IDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1686084808 TUNFHYLDTXJDDY-HNAYVOBHSA-N 437.422 1.764 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)nn1 1686848012 WHKLXTJWTDBNKT-HNNXBMFYSA-N 432.525 1.328 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1689966601 WRBWTPTZEFPIOZ-SFHVURJKSA-N 429.502 1.475 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCC2)CC1 1690124703 RKGRLKVAFRQDDJ-GOSISDBHSA-N 435.594 1.142 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 1690128350 BGKVXDILKUJCGJ-UHFFFAOYSA-N 431.537 1.340 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CC(N)=O 1690659068 IYTACARBYBYQIQ-OAHLLOKOSA-N 427.509 1.150 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2ccccc2[nH]1 1690659637 YUXGWPTULJKWIZ-CQSZACIVSA-N 445.549 1.308 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1695445122 URGYIODXWAISPR-JOCHJYFZSA-N 437.504 1.114 30 10 IDEE CN(C)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1696608869 BHJWETUNGZQNCR-WMZOPIPTSA-N 430.534 1.023 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1696756983 NBXMHYLKMHIFNK-QQMHEVNUSA-N 437.504 1.729 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1696913555 GSAWAFMPGZSQIG-IVZQSRNASA-N 439.520 1.025 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1705495792 VNAWVVLWMPRDHR-AQEOSJORSA-N 439.582 1.274 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1705548899 YHBDXLXARDOMLS-AWEZNQCLSA-N 431.294 1.765 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1705573396 GDKIHNIVPCOXDK-INIZCTEOSA-N 446.602 1.081 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1705580847 OZVJOCNVYZEQPY-SFHVURJKSA-N 426.590 1.664 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1705628326 DANHDUBPTBDEEK-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCC(F)F)CC1 1705643634 NFIXSJOLCATNHV-CRAIPNDOSA-N 438.523 1.333 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)C1)C(C)C 1705867488 OPBAZMQUAAAGLA-IBGZPJMESA-N 426.569 1.656 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1705903531 XOELKWYFRYBHTD-HZPDHXFCSA-N 445.524 1.906 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1709842614 FHRFBXKLUYEOCE-UHFFFAOYSA-N 435.532 1.792 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1711774589 GVWSHYGGQWPBHC-QGZVFWFLSA-N 434.522 1.010 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1712283783 HGFDYICBLNCNLB-FUHWJXTLSA-N 431.518 1.103 30 10 IDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)CC1 1712881622 BJBVFFLJVGZTLY-UHFFFAOYSA-N 435.532 1.961 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1722324093 KLORCPYBJPWIHJ-NRFANRHFSA-N 428.924 1.977 30 10 IDEE C#CCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722340981 ONYYMNLOUUZAML-JOCHJYFZSA-N 425.537 1.849 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCc1ccc(OC)cc1 1722351346 HYCPOGFUMDNSBZ-SFHVURJKSA-N 432.546 1.865 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722549915 BOMJJQPIYDGFIM-QGZVFWFLSA-N 432.960 1.779 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1722616694 BLDSHSUDXQYFTK-QZTJIDSGSA-N 441.598 1.829 30 10 IDEE C=CCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722691645 XHGUXPNEVUSQMG-QHCPKHFHSA-N 440.548 1.930 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)CC1 1722742898 KHJIVXMMTOLQEK-UHFFFAOYSA-N 430.582 1.380 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1722745712 DEODCOCYNNHSRF-HSZRJFAPSA-N 437.548 1.330 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722751273 RWLYSROAAKACHX-GOSISDBHSA-N 449.577 1.606 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CCO1 1722841738 FWFVROVNUMQKEU-FQEVSTJZSA-N 446.515 1.499 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1726765916 PFBAACHSAWFDAO-QRQCRPRQSA-N 426.521 1.708 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(=O)N1CCOCC1 1727602194 GQSLWSOHPFKHIE-UHFFFAOYSA-N 443.939 1.551 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1740551219 KRUJZQDFHXTHNN-HOTGVXAUSA-N 439.582 1.895 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1740629515 QEPJXHUBZMMHNG-UHFFFAOYSA-N 428.537 1.890 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1740639931 GXOAHHPHNFWSRM-LJQANCHMSA-N 448.552 1.702 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1740645462 NNQUKRUTGAJFFQ-FDDCHVKYSA-N 442.564 1.490 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740786801 OUSINTSBNBJMBX-LJQANCHMSA-N 443.552 1.517 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740900711 WXYFTTWHJFQQRP-BOSXTWCSSA-N 439.582 1.174 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740955704 DEYORZUQGRDRRD-UHFFFAOYSA-N 443.527 1.033 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1741056966 FESUYCZMDZBNDT-HSZRJFAPSA-N 436.564 1.558 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(F)(F)Br 1741675696 IUVQFICJTQQNNK-LBPRGKRZSA-N 446.300 1.581 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1741698784 HJKSWBJSCSMBGZ-GOSISDBHSA-N 436.520 1.382 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1741988491 RISOBOFCJSQWMN-INIZCTEOSA-N 437.566 1.242 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C 1742254485 RJAWYBSEJXJCID-HTAPYJJXSA-N 437.504 1.354 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C)S(C)(=O)=O 1746308302 ANQXSYMSKQXFLP-MRXNPFEDSA-N 432.550 1.713 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1748667485 VDVXMUFADUYCLT-GVDBMIGSSA-N 428.562 1.822 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748818404 ZLLJKFAHYRYYEJ-JKSUJKDBSA-N 435.575 1.612 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1748819986 WISMGQMNTJCMGD-IBGZPJMESA-N 427.530 1.237 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749116003 YHBHBWLHPRMPBC-JQHSSLGASA-N 445.568 1.392 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1749666682 PSMMIAOHUBTFTH-KRWDZBQOSA-N 430.459 1.979 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749680834 SGHPOMTZGTXSDL-QHCPKHFHSA-N 440.548 1.739 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncn(C)n2)C1 1749696683 WJGNANDHKMNHQK-INIZCTEOSA-N 425.493 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749729547 NCHJXJWSOWIOFV-FVJLSDCUSA-N 449.577 1.657 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1749755479 HOJATGLFCMOBFW-JYJNAYRXSA-N 427.596 1.519 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749756159 UAKQTCILFSUUPM-CVEARBPZSA-N 434.566 1.564 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1760192438 UOUNWRFUJUFPOG-CEXWTWQISA-N 448.568 1.905 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760220425 ITKATWXZMBKGAC-IBGZPJMESA-N 443.548 1.752 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(N(C)C)CCSC1 1760229733 CQQVZNKQSBZSDU-NRFANRHFSA-N 437.577 1.818 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CCOC)CCC2)CC1 1760251620 DPRFOHVNWJYCBC-UHFFFAOYSA-N 437.548 1.887 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760272781 VQWMYYHHROVXGO-IAGOWNOFSA-N 425.562 1.965 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760321599 IJWIGZARISQBHF-BDXSIMOUSA-N 439.582 1.281 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760321803 KKQROQONOOZSFG-DYXWJJEUSA-N 446.596 1.364 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760345459 BWIWIKWYUVPKAM-ROUUACIJSA-N 439.582 1.379 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)CC1)C(C)C 1760489253 DLOQWFXOCCPKQP-LJQANCHMSA-N 431.610 1.946 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1769494232 CQGRQTPYVNWMQP-UHFFFAOYSA-N 425.493 1.620 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2C)CC1=O 1769895877 BBIIHDNGGADSCR-UHFFFAOYSA-N 431.500 1.864 30 10 IDEE CS(=O)(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1771355236 LWGSLKLGRWWFNX-QGZVFWFLSA-N 445.549 1.158 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@H]1C 1772567219 NZIZYXASLRFAGX-IAGOWNOFSA-N 448.568 1.920 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#CCN1CCCC1 1850083286 HYXGVQDENSRYMG-QGZVFWFLSA-N 427.567 1.441 30 10 IDEE O=C(c1cccc(C(F)(F)F)c1F)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1851317175 PEZYOWICSGDBBC-UHFFFAOYSA-N 437.337 1.999 30 10 IDEE C[C@H]1Oc2ccc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc2N(C)C1=O 1851591316 DVIPSFITZHTHGC-MRXNPFEDSA-N 435.484 1.676 30 10 IDEE CC(C)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@@H](C#N)C1 1852749106 RWJZFSWCSKFERH-GOEBONIOSA-N 444.351 1.893 30 10 IDEE CN1CCN(C(=O)CCON=C(N)c2nnn(-c3ccccc3)c2-c2ccncc2)CC1 1853443636 QCFVYBFQCDGIIH-UHFFFAOYSA-N 434.504 1.130 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)n(C)n1 1870004008 QIXMHJYXHZULBE-UHFFFAOYSA-N 438.488 1.878 30 10 IDEE COC(=O)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874337246 HHHVIZRMTNJGOK-XYJSHWMKSA-N 444.517 1.249 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN3C[C@H](O)C[C@@H]3C2)[C@H]1c1ccc(C#N)cc1 1889716258 CYOILHUJDQUIKO-UKAVVXHISA-N 428.558 1.229 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1891836292 XMGMOLKRDXMWPK-INIZCTEOSA-N 433.534 1.170 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2020668622 LQSSFVHBXAPELI-QVKFZJNVSA-N 443.541 1.306 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC 2054376197 DNIXCJGLDIWKHF-LBPRGKRZSA-N 441.344 1.709 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637981 QONIWIHZRLWEOL-UONOGXRCSA-N 434.302 1.085 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1cc(C#CCO)cs1 2089698069 HFZONEJYNGEPKW-UHFFFAOYSA-N 432.523 1.588 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 2171817175 IBWCGCSXRPAPMD-FOIQADDNSA-N 434.493 1.013 30 10 IDEE Cc1cnc(N2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2232276763 VOJPWXWLJRPCFV-CQSZACIVSA-N 442.291 1.488 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255608751 ALOOBGUHLBJMRP-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE Cn1nc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2255622609 BQOORIYHVSCBNH-STQMWFEESA-N 432.330 1.314 30 10 IDEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1NC(=O)OC(C)(C)C 2255703560 ULEJSKNSTDCOJH-JKSUJKDBSA-N 435.330 1.678 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255826353 OTPZOLCLDHHBKF-KCQAQPDRSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256617559 KEQCTQURROAJQR-INIZCTEOSA-N 430.314 1.823 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267000756 BSLJJIPUOFJNMG-CYBMUJFWSA-N 441.259 1.912 30 10 IDEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)OC1(C)C 2267099639 MJSZMJUIEHQOOK-UONOGXRCSA-N 446.275 1.843 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2267274722 DPDSMFIGNZGNSA-CVEARBPZSA-N 449.357 1.736 30 10 IDEE Cn1cc(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267503799 JMFRMDDGJWTVPF-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE Cc1c(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267504844 YQGLPFWRSLNMQB-UHFFFAOYSA-N 446.357 1.721 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267553579 ZVKFFIMXDAVLON-RCDICMHDSA-N 444.341 1.763 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267596000 HQGCNOVOSLMGLE-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccco3)n2)cc1 21076394 HYNMTJYAKZPHBN-VCHYOVAHSA-N 449.518 1.873 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 109355522 SUPCSINHCBJRTM-NRFANRHFSA-N 444.495 1.078 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 301415608 QRNABNXSPCXKBO-GOSISDBHSA-N 440.573 1.639 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Br)c(OC)cc2OC)CC1 429647882 GBDAUNLEQCFLJB-UHFFFAOYSA-N 441.326 1.918 30 10 IDEE Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cnc2c1c(=O)n(C)c(=O)n2C 439056183 HCNHQMOQZITXAH-CQSZACIVSA-N 442.273 1.698 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@H]1CCCO1 461376831 OLLIIKYMWCCFGC-GOSISDBHSA-N 439.537 1.040 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1 472974015 FFZCLOXSIHYFNY-MRXNPFEDSA-N 433.490 1.645 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 473432577 KMUBFKMLRVPPFU-UHFFFAOYSA-N 448.527 1.847 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)ccc1Cl 473440764 DFCGYBVMYORVLV-IRXDYDNUSA-N 433.873 1.917 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 483232260 GUCQRFBWDKOUKH-IPMKNSEASA-N 428.489 1.806 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@H]1CCCO1 505700014 MDJFNEPUEUFKEJ-QGZVFWFLSA-N 437.521 1.864 30 10 IDEE CCc1c(C(=O)Nc2cc(C#N)ccc2OC(F)F)cnc2c1c(=O)n(C)c(=O)n2C 513777191 QTRVCWGPTBZKSG-UHFFFAOYSA-N 429.383 1.920 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1F 514646372 AOHZNDYUIYZVIZ-UHFFFAOYSA-N 441.459 1.443 30 10 IDEE N#CC1(CS(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CCCC1 544747552 JDQYMTXDQUZAKN-UHFFFAOYSA-N 429.539 1.982 30 10 IDEE Cn1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCO3)CC2)c1=O 549517442 SCEBPOXQNLYXMN-IBGZPJMESA-N 446.515 1.416 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 558995689 IVZVMFVSNZABHI-GOSISDBHSA-N 447.609 1.429 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 603798772 NIRYUDWQTNOVRQ-MRXNPFEDSA-N 447.507 1.786 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1C[C@H]1CCCO1 603923725 SZSHHHJFWNXJGL-CYBMUJFWSA-N 448.342 1.100 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccc(C#N)cc2F)cc1 609241096 PFYSDIQDDCLKRD-UHFFFAOYSA-N 446.504 1.774 30 10 IDEE Cc1oc(NC(=O)[C@H](C)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C#N)c1C 615456438 APPMLPGCYYLPCB-AWEZNQCLSA-N 431.518 1.565 30 10 IDEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671665490 BOLCKOCDUHFLQE-GOSISDBHSA-N 430.530 1.851 30 10 IDEE C#CCC[C@@H](O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br 717903300 JDHLUYAMMHPCNB-SECBINFHSA-N 426.130 1.846 30 10 IDEE C#CCC[C@H](O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br 717904401 RXJNYDNZPGKGAC-VIFPVBQESA-N 426.130 1.846 30 10 IDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 735773854 CHDMCVNQFANKMH-QGZVFWFLSA-N 444.469 1.748 30 10 IDEE C[C@H](CC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742576779 BEMFBVRUJNOYRD-UKRRQHHQSA-N 446.504 1.103 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc(O)n(C)c2=O)cc1 751565288 HEQWAMPBBGOXJM-JWGURIENSA-N 433.490 1.331 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 753752511 KQZHXSYURZCDGA-IUODEOHRSA-N 442.538 1.175 30 10 IDEE CC(C)(C)n1cc(C(=O)C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 754773035 ODGHVZRUNPMLDE-UHFFFAOYSA-N 439.291 1.960 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758611912 HFYYBEWZJWKHKA-UWWQBHOKSA-N 440.504 1.843 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c(C)c1 771536531 GGZHJMXHEUCEII-MRXNPFEDSA-N 427.534 1.670 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(CCc2nnnn2C)C1=O 771551456 ATPMCEIAOSNBHX-CYBMUJFWSA-N 437.913 1.182 30 10 IDEE CN1CCC[C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)[C@H]1c1cccs1 787775237 BTXQBANIIOYNLA-WMZOPIPTSA-N 426.546 1.742 30 10 IDEE C=CC[C@]1(C(=O)N2CCN(CC(=O)NCCOC)CC2)CCCN1C(=O)OC(C)(C)C 790227114 DDFMBPWHSZDCCW-JOCHJYFZSA-N 438.569 1.239 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)S(C)(=O)=O 800783992 RDYBDORZVDLBMO-UHFFFAOYSA-N 430.534 1.637 30 10 IDEE COC(=O)c1sccc1S(=O)(=O)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 805843854 UYZLUXRVXFXYLA-LBPRGKRZSA-N 437.474 1.877 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084391430 NHIHLUSMFBZQDR-UHFFFAOYSA-N 429.510 1.955 30 10 IDEE N#C[C@@]1(C(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)CCCOC1 1124800080 QFDXKCLWMZLBKJ-CPYXBQISSA-N 429.454 1.888 30 10 IDEE COc1cc(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)ccc1C#N 1125046912 CEEXKTDGRCCYQR-UHFFFAOYSA-N 444.469 1.841 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccc(C#N)cc1 1130907180 DWHGHTNBEDDKBG-UHFFFAOYSA-N 429.498 1.560 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1150870507 IPFQZNHKPPHEED-AZOIQLNYSA-N 435.406 1.196 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](CCC#N)c2ccccc2)c1 1151668598 GWFQSBRRMTVXOT-SFHVURJKSA-N 435.527 1.530 30 10 IDEE Cn1c(=O)c2c(ncn2CCC(=O)N(O)Cc2cc(Cl)cc(Cl)c2)n(C)c1=O 1184235009 GHQLOSNGDISIJT-UHFFFAOYSA-N 426.260 1.549 30 10 IDEE COC(=O)[C@@]1(N2CCN(CC(=O)N(CCC#N)c3ccc(C)c(C)c3)CC2)CCOC1 1196263705 RAEJJAJHPWSYGY-HSZRJFAPSA-N 428.533 1.500 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1228700923 BLCPHFYDYPUEBY-XHSDSOJGSA-N 431.555 1.443 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1286292339 HUWMBAXCFMEPMG-GXTWGEPZSA-N 436.563 1.036 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286336732 WHUWSQJECVCSRD-SFHVURJKSA-N 427.553 1.510 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1286384072 GVLSWIMEADZIOH-SFHVURJKSA-N 429.546 1.370 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1286399605 KDDSPEYXELTNTH-AWEZNQCLSA-N 437.472 1.318 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1286424683 HFVOVDJGTRICMK-UHFFFAOYSA-N 445.531 1.546 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC)N2CCCC2)CC1 1286469550 ITKJXEXBKMBSTL-IBGZPJMESA-N 436.564 1.555 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2COCCO2)CC1 1286489650 AWQSDVMYKQOSHV-SFHVURJKSA-N 439.516 1.335 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1286629771 NPGWLFTWTORTQR-GVDBMIGSSA-N 444.001 1.480 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286790942 QQMFVSZBBCPDHR-GOSISDBHSA-N 431.562 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C)C1 1286818393 HWSZYLCFTFILCB-QGZVFWFLSA-N 442.545 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1286822448 KKIQYYSJAFQNQJ-UHFFFAOYSA-N 434.566 1.450 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1286962599 CRZVGYZKIUXHCJ-ZDUSSCGKSA-N 438.941 1.529 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1300410280 MKXZYCPKANWLKA-ROUUACIJSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300499460 SCHHGHRYHPGCRP-OFNKIYASSA-N 442.585 1.965 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1300556267 GMBPMLCNQZIMES-MOPGFXCFSA-N 442.589 1.876 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1300630345 BLCMHJGGHYUUET-HOIFWPIMSA-N 449.552 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(C)CC2)CC1 1300726812 RJHFOJQTPWUXMR-QGZVFWFLSA-N 433.578 1.336 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCO 1300801175 IKMZQCFVGQPGME-HSZRJFAPSA-N 436.516 1.583 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1300990428 DMFHAZQUBVFWGQ-CVEARBPZSA-N 434.541 1.925 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnc(OCCO)c1 1301354096 WHBHFFNLXDUCLE-UHFFFAOYSA-N 432.502 1.690 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1301491501 RQUXOORFRLSXJX-UHFFFAOYSA-N 444.540 1.474 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301509207 CGDABZMQRHGHDL-DEOSSOPVSA-N 449.559 1.851 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1301799647 HMYNSWGTEBNKBT-UHFFFAOYSA-N 439.520 1.117 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCSCCCO)cc1 1302989579 PATUZCYVYUUTMD-GOSISDBHSA-N 426.546 1.743 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)c1 1303423916 CFVKIVIKPDEEKA-UHFFFAOYSA-N 448.566 1.805 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCCO1 1305142117 HMBRCEPCDPLOEA-INIZCTEOSA-N 445.545 1.372 30 10 IDEE COc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1307993626 IYFNLJVQHQTWAJ-NVXWUHKLSA-N 436.534 1.279 30 10 IDEE CN(CCc1cnccn1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1314835321 NNJKQNNAGNNSIQ-FMQUCBEESA-N 438.536 1.862 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)CC1=O 1314925481 DPPSIXIQXSVQBF-NRFANRHFSA-N 425.562 1.532 30 10 IDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1315921242 CUTGCPFZSZMLSM-GOSISDBHSA-N 427.505 1.743 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316001045 MJGMROYCQKETLA-OOADYSHXSA-N 444.536 1.561 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CCO1 1316540995 QBUVGNFUOLKNAQ-NWDGAFQWSA-N 439.485 1.204 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 1324347645 CJESDYZFHZZKQD-UHFFFAOYSA-N 443.525 1.768 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1cccn1 1358951909 QEEVXHPPXNWDDJ-UHFFFAOYSA-N 432.576 1.999 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358964904 JVJZGIRLGSILPT-GGPKGHCWSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1358976932 XPBMQZWLKHZDHT-UHFFFAOYSA-N 443.511 1.611 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)CN(C)C1=O 1359021510 RBDKVRWXJPRLAB-QFIPXVFZSA-N 425.489 1.281 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2CCC)CC1 1359043592 AHJYQGCFDAIOAO-FQEVSTJZSA-N 438.580 1.519 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359145763 BPSCKTYATXRQCH-INIZCTEOSA-N 448.940 1.687 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359292776 XIJPFTSRDYYPCX-MPGHIAIKSA-N 442.495 1.574 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC1CCOCC1 1359299236 ZLZAFVRAJGHFRT-UHFFFAOYSA-N 437.504 1.759 30 10 IDEE C#CCN1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CC1 1444336147 DIAGUHFISWAEFM-HXUWFJFHSA-N 447.333 1.384 30 10 IDEE CN(C)CC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1 1462931572 OBUZKIJRKZKUJN-UXHICEINSA-N 434.500 1.967 30 10 IDEE C=CCN(C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCS(=O)(=O)C1 1464401814 RFXJFVOTUOHZTH-LIRRHRJNSA-N 427.523 1.344 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@H]32)CC1 1464846099 HTVIFLHNVNDBBV-MISYRCLQSA-N 430.346 1.619 30 10 IDEE COC(=O)C1=C(Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)N(C)C(=O)N[C@H]1c1ccccc1 1473072522 CBWVYGLNABGVKH-IBGZPJMESA-N 449.467 1.348 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)C(C)(C)C 1473650853 GFRDCVQSTNJXTQ-UHFFFAOYSA-N 439.578 1.823 30 10 IDEE C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCCc1ccccc1 1478567381 HPAVHBNFKJPCKG-DYESRHJHSA-N 433.512 1.706 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)n1 1492745920 BCZREEYFTZPVCH-MRXNPFEDSA-N 428.394 1.260 30 10 IDEE CCCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1500692188 YGDRJWPEWCSWKK-QZQOTICOSA-N 434.504 1.889 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1 1507515485 HRDDILPCVJRTQL-LSDHHAIUSA-N 435.550 1.606 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507534523 QGFDCTPPEFFYQR-WMQCIHAUSA-N 436.560 1.692 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507564604 TUHJQSSYWNDVTQ-CQSZACIVSA-N 434.484 1.877 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1507630584 CQGDCZKMPYLQIP-CVEARBPZSA-N 432.575 1.505 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631779 UEJKWNUMABJOHJ-XMSQKQJNSA-N 439.541 1.808 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507631975 WCGNKLHYIAFQFP-SFHVURJKSA-N 429.546 1.926 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1507649069 YDJFUKXCTPKMMA-SFHVURJKSA-N 443.511 1.180 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(-n3cccn3)cc2)CC1 1507718688 GKCDNHFBNJVUAF-FQEVSTJZSA-N 449.559 1.991 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@H]1CC 1507746770 FQHFNSYTBCAKQC-MRXNPFEDSA-N 427.530 1.798 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](COC)C1 1507792007 VFZNTSSXMNTILP-KKUMJFAQSA-N 431.331 1.762 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836504 NIGKWEWYUNMRAG-OAQYLSRUSA-N 434.541 1.081 30 10 IDEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1508046652 FYPJITOCOBVGHX-CQSZACIVSA-N 445.321 1.349 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1508144687 RUZZRMLBAMKEAW-UHFFFAOYSA-N 446.577 1.169 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1517039098 SGXPMJPBCQLENS-RWNPKEDZSA-N 433.472 1.568 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1519163866 FAQSCYACEIUTNY-INIZCTEOSA-N 449.533 1.309 30 10 IDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1528153930 SMUQZDKAVLOYHF-KRWDZBQOSA-N 434.514 1.109 30 10 IDEE N#C[C@@]1(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCCOC1 1534393180 SSIYYVOAGLGGFF-IBGZPJMESA-N 435.322 1.852 30 10 IDEE CC1(C(=O)NC[C@]23COCCN2C(=O)COC3)CCN(c2ccc(Cl)cc2C#N)CC1 1535335935 LODVMGSAFAXZGA-JOCHJYFZSA-N 446.935 1.562 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1 1538982861 KGTMGFFARBBJDS-CQSZACIVSA-N 433.490 1.251 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1539012359 FVMIHUOGQZXTNM-CRAIPNDOSA-N 433.534 1.017 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1539226076 UFPKAEMAWOYHFG-LJQANCHMSA-N 439.545 1.155 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 1539230431 HNVHWAKUQYWTSM-UHFFFAOYSA-N 448.571 1.494 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC 1539266080 LSXWWDKPWBYPPE-VGOFRKELSA-N 431.537 1.820 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2CC2CCN(C(C)=O)CC2)n1 1539424134 LVDGOSTUYAXZHV-UHFFFAOYSA-N 439.564 1.897 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539527179 WDPIFFGPMUTFJQ-OAHLLOKOSA-N 438.550 1.986 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1540047063 DQILYYGMFOKKRG-CQSZACIVSA-N 430.538 1.448 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1COc2ccccc2O1 1541908536 PDUCCLJPBVMECW-KKUMJFAQSA-N 434.522 1.467 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)CC1 1542894573 CKKZDIQRPRLOIM-UHFFFAOYSA-N 446.356 1.294 30 10 IDEE CN1CCN(C(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc2)CC1 1543904954 IIPLUHRYEBNYMC-UHFFFAOYSA-N 444.488 1.763 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1544550818 AZWAYTSGPLRNLW-QGZVFWFLSA-N 437.548 1.330 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1545129040 DEJYDRYTSYJKND-UFOSLELVSA-N 427.534 1.752 30 10 IDEE C#CCN(CC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C(=O)OC(C)(C)C 1545318143 REEAWRLWMXUDCX-GOSISDBHSA-N 431.489 1.796 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545868582 SSUJQQOEZVHUNN-STGLLQLASA-N 429.525 1.569 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1555262534 OXEDDQCIAUJASN-LEWJYISDSA-N 440.548 1.985 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1555669882 LFGIMBBKOXAXFK-QAPCUYQASA-N 440.504 1.065 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1555811320 XYSLYKGJGXZIBI-CRAIPNDOSA-N 438.554 1.796 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1556635275 DEWDQCLIAVXIHT-UWZWCOGJSA-N 428.436 1.664 30 10 IDEE O=C(CSc1ncccc1C(=O)N[C@@H]1CCCN(O)C1=O)Nc1ccc2c(c1)OCO2 1556782797 SSVCNINDYQBGOT-CQSZACIVSA-N 444.469 1.651 30 10 IDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1569227614 FDSFYGUTRKUTHD-JTBPQFFMSA-N 435.521 1.826 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN/C(O)=C1/N=CC=CC1=O 1587549985 HEOMXBPPDFGLQJ-RMYFCYLKSA-N 427.509 1.181 30 10 IDEE C#CCSCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1589125614 MBTGHDXBOHQIBP-LJQANCHMSA-N 442.607 1.310 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1593758154 WNPDMSRZXWYJSB-UHFFFAOYSA-N 438.536 1.571 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1593818912 YSIZECSBBQFOJD-ZDUSSCGKSA-N 426.905 1.275 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](OC)C1 1595466263 HSFDWJVKLJBPPJ-QGZVFWFLSA-N 446.939 1.779 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1595595698 YDDHSSXHWBPIED-UHFFFAOYSA-N 428.468 1.109 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNS(C)(=O)=O)C1 1595682199 YNTVFHHGGONBRZ-INIZCTEOSA-N 425.942 1.929 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1608353194 WKFDWZMDHWDKLX-INIZCTEOSA-N 439.511 1.512 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(OC)nc2OC)CCOC1 1616140192 GEWXNIJYNJBVAK-VFNWGFHPSA-N 430.509 1.987 30 10 IDEE COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)ccc1C 1619094947 GTYXUEWRLBHASF-KUHUBIRLSA-N 436.513 1.696 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCOCC1 1619452882 GPPBEPZFGOGAFJ-QZTJIDSGSA-N 442.520 1.315 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC([C@H](F)C(N)=O)CC1)CCCC2 1620501341 BTAQZFUUIUFGFL-IERDGZPVSA-N 445.539 1.891 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)C2)C1 1628072409 RFIPNIGDTPXNNQ-GWWPLSDWSA-N 437.562 1.809 30 10 IDEE Cn1cc(I)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1628324862 VOQUEGCVUZNNNB-UHFFFAOYSA-N 435.269 1.854 30 10 IDEE C=C(CCN(C)C)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1631735936 ROXNFDKDOPDKGG-UHFFFAOYSA-N 440.566 1.936 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1631795596 XJPWGVPXUOMRDB-INIZCTEOSA-N 430.480 1.536 30 10 IDEE C#C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1640186387 ITOPFUQNMZSXJC-IBGZPJMESA-N 431.558 1.480 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1643846543 VPYYLROVPFKPNV-HXUWFJFHSA-N 442.541 1.162 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@](COC)(C(=O)OC(C)(C)C)C2)cc1 1648623393 PGAHINNLOHVARK-NRFANRHFSA-N 438.546 1.971 30 10 IDEE N#Cc1cc2c(n(CC(=O)NC(=O)NCc3ccco3)c1=O)CCN(Cc1ccccc1)C2 1652112036 FPZOVIDPCUUBIZ-UHFFFAOYSA-N 445.479 1.897 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)C1=O 1653958099 BBFDYBAHBWVBMU-QRQCRPRQSA-N 448.520 1.507 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCc3ccncc3)CC2)CC1 1654526592 BVCBRXWSPCPGNS-NRFANRHFSA-N 438.601 1.712 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCC(=O)N2CCN(CC)CC2)nnc1-c1ccco1 1654610126 JPOYHYMBCXJBRY-UHFFFAOYSA-N 432.550 1.487 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(CC)cc(CC)cc2CC)CC1 1665178906 HLLQHJWILJZIBS-UHFFFAOYSA-N 427.592 1.148 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 1665507598 WAKDJXTWNVBHHE-SJLPKXTDSA-N 430.567 1.702 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672353947 UFSZTJMNIXUFRG-SFHVURJKSA-N 437.504 1.565 30 10 IDEE C=CCN1CCC(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1677128917 YQTCYKMMZPWODG-QGZVFWFLSA-N 444.598 1.360 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1684083406 VBEHOJLWHBPGGG-HNNXBMFYSA-N 442.944 1.593 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690011648 XRFQSBILLZEBEV-UHFFFAOYSA-N 431.500 1.668 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1690043748 MPPUUJJPJXVACZ-UHFFFAOYSA-N 426.484 1.437 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1690045020 DPZNKEOJNBKNHF-LJQANCHMSA-N 428.500 1.834 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1690102301 HWDJURUZQQLHOG-UGKGYDQZSA-N 449.621 1.814 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690169677 KITMMHTUGIYUOQ-FQEVSTJZSA-N 427.534 1.454 30 10 IDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690491545 DKXUCYVPQHDORQ-HNNXBMFYSA-N 429.550 1.792 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC(C)(C)C2)C1 1690688716 ZOTZECZYFWTPEY-XXBNENTESA-N 449.596 1.822 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1690780133 HJPVBCBUVUSKBI-IGGDJGDASA-N 429.525 1.233 30 10 IDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1692880309 RFFCJCXLGSSYHI-RTWAWAEBSA-N 426.452 1.976 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1696593222 JZJRAUGONQTGQL-LJQANCHMSA-N 437.548 1.454 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1697452536 APPAKHKVOQOLTL-QRWLVFNGSA-N 449.508 1.688 30 10 IDEE COCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1698224772 LTVIHWMLVIGGKW-OAQYLSRUSA-N 444.515 1.557 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1705481152 APLKYLATXUCXPF-NXHAUGRDSA-N 435.444 1.838 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1705567741 YVRWNDUWMDJTSN-MOPGFXCFSA-N 437.610 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705586370 GLGJTBRVSPQALR-UHFFFAOYSA-N 432.528 1.347 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1705595892 KHJFQYAQNLUYTI-XMMPIXPASA-N 446.511 1.460 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC2(C)C)CC1 1705645564 XVLQOXXPPYQJPA-MBSDFSHPSA-N 429.565 1.942 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705665863 GIQDRKRGJYMCJH-GOSISDBHSA-N 429.546 1.483 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1705755745 XSMQYKMNRKCHCV-WMLDXEAASA-N 448.014 1.697 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1706075228 KYISIDDDFUJRGL-YJBOKZPZSA-N 439.520 1.031 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCC1(F)F 1706889102 CTVOBSRSQDMMCV-IHRRRGAJSA-N 432.497 1.443 30 10 IDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1712376404 TTYHFVWTAANOOD-QGZVFWFLSA-N 432.550 1.571 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1722295767 MCEUWSURZKKNTI-VQIMIIECSA-N 446.577 1.183 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1722316138 CAMPGPJCOUEUEB-KURKYZTESA-N 439.582 1.276 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722330978 YOLWQVQNXGKCAZ-UHFFFAOYSA-N 431.544 1.975 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722359539 OIVLZWMQQJCLFV-FUHWJXTLSA-N 447.561 1.194 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)N2CCCCC2)CC1 1722441072 OPFWUJMLKKPBRW-HXUWFJFHSA-N 427.597 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2nccs2)CC1 1722449033 LIFGYAVAJAJURN-UHFFFAOYSA-N 435.557 1.929 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2OCC[C@H]2C)CC1 1722565808 BXYWDLGRGHOCPD-ZACQAIPSSA-N 425.555 1.192 30 10 IDEE CC(C)(C)OC(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1722998765 CADZZHDXEZAXHR-FQEVSTJZSA-N 447.471 1.972 30 10 IDEE CN(C)S(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1729346119 UMMJWPKMGPWYJI-SFHVURJKSA-N 442.467 1.480 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2CCCCCO)cc1 1731184696 HOPAPMPWYSAJPG-JOCHJYFZSA-N 427.505 1.887 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CC1 1740553922 VQADCXJQFVWZFW-BEIWTESXSA-N 427.578 1.821 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCNS(C)(=O)=O)c1 1740562808 QQDHXRJDMBOZHA-UHFFFAOYSA-N 446.577 1.571 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCn2cccn2)c1 1740563093 SZEJCSIDORMKTC-UHFFFAOYSA-N 448.531 1.759 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1740631748 UWYMVJVVBJAQBK-LLVKDONJSA-N 443.426 1.566 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740755992 DUFNROCPYROVAY-CIWUYKSXSA-N 427.505 1.682 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740769581 ZFTFKDXNVDTCAX-PXNSSMCTSA-N 441.598 1.614 30 10 IDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740782158 FOLPXDYXDNZXTP-GOSISDBHSA-N 430.553 1.298 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740886835 UVCHFDUCSTYCIG-UHFFFAOYSA-N 436.520 1.443 30 10 IDEE CC(C)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741603221 KCDRCOZDFDSTSS-SFHVURJKSA-N 438.536 1.494 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1748129936 CADLDYYYZGOIHA-HXUWFJFHSA-N 430.534 1.214 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1748641826 KRQSOROIOMFVAE-VLCRHTCISA-N 449.621 1.596 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1748671238 HWELRXCSEVONSK-GCKMJXCFSA-N 435.525 1.196 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1748714395 IBQQNEWGKMNGEY-HMXCVIKNSA-N 428.581 1.574 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1748795051 VJMLLHKDYORCTE-YKSBVNFPSA-N 438.576 1.252 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748811046 ANUFHJRFOKIWLV-OALUTQOASA-N 444.605 1.785 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1748819996 WROKLLHDCGBMAK-IBGZPJMESA-N 445.589 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1748855471 BCAQJNUDKHYYOE-UHFFFAOYSA-N 428.456 1.013 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccccc1F 1748905445 DPKMHULVWKGBKT-UHFFFAOYSA-N 435.463 1.954 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749037136 BFIYNHOZTZEVDG-DLBZAZTESA-N 441.623 1.652 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749226941 VPQQZDXWOKXZDN-GBESFXJTSA-N 432.569 1.369 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749434178 KPKXGPMYVQSTJV-UHFFFAOYSA-N 442.568 1.279 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1760112013 ZAIUKIXJQPXKKC-INIZCTEOSA-N 445.531 1.894 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1760116228 GKYWPODTBGDMOL-DZGCQCFKSA-N 438.941 1.166 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1760176076 YRCGEXCMWWRHTK-MJGOQNOKSA-N 431.562 1.874 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760201003 FIIGVNWRHLMQTJ-UHFFFAOYSA-N 443.555 1.756 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2oc(CCC)nc2C)CC1 1760251788 HUGNWXVZIKUZAS-UHFFFAOYSA-N 425.537 1.567 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2CCN(C(=O)OC)CC2)CC1 1760273048 GYYMYNLOMZYXKB-UHFFFAOYSA-N 446.552 1.259 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1760450936 WCDVGLJPMMGWQI-CQSZACIVSA-N 442.973 1.796 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CCN1CCCS1(=O)=O 1760481469 ADXXMMRPUXKMED-UHFFFAOYSA-N 446.577 1.644 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCOCC1 1760499887 NJDMFMDOECATTA-UHFFFAOYSA-N 439.520 1.756 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cl)=C(Cl)C1 1760522580 WXJSFJYMKCYJCV-LLVKDONJSA-N 434.349 1.382 30 10 IDEE C=CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760563220 KRQZRQFNYYEPAH-AWEZNQCLSA-N 446.964 1.665 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1761303480 FAHHPZOWUNMDPL-HBMCJLEFSA-N 441.532 1.987 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1 1766679911 OYJOUMHWCIAGRZ-YOEHRIQHSA-N 437.522 1.386 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)C1 1767251908 GWWQWDDYYUNKFS-GOSISDBHSA-N 441.517 1.680 30 10 IDEE CCOCc1nnc(N2CC[C@@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767826637 XKLRDMVWSXSTJJ-FZFLATATSA-N 426.477 1.928 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1769453936 QQDVJWVWWYLAQG-QGZVFWFLSA-N 433.534 1.351 30 10 IDEE N#CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1856637636 SDCZYECFQDVDCE-KRWDZBQOSA-N 436.578 1.478 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc4cnccc4c3)C2)CC1 1857042127 RZIMSNVTPGGELC-LJQANCHMSA-N 426.498 1.789 30 10 IDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)CN2CCC(F)(F)CC2)C1=O 1857051701 HOTIBMUCBXCCNI-AWEZNQCLSA-N 440.472 1.587 30 10 IDEE CC(=O)N1CCO[C@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@@H]2C)C1 1857474303 PMQOEUYJJIJOOK-WMLDXEAASA-N 432.908 1.326 30 10 IDEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868783923 UOAOLMOXDXVIEU-FUHWJXTLSA-N 446.573 1.895 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)CC1 1890387455 OMXBTSRXVQYUEF-UHFFFAOYSA-N 443.972 1.900 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)NC(=O)OC(C)(C)C 1902005581 INUXDNNZMDZJRH-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@]2(CO)CCCN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 2022801562 LABTVIGWGUDOCB-BTYIYWSLSA-N 438.525 1.720 30 10 IDEE COC(=O)[C@H](CC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)NC(=O)OC(C)(C)C 2060637029 FYOYKCBYNIVHCI-MCIONIFRSA-N 438.330 1.993 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085655195 UJDAVHDYBVCTSX-UHFFFAOYSA-N 434.346 1.776 30 10 IDEE C[C@H](c1nscc1C#CCCO)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2186594465 ZJZBWKHBPUJVKK-CQSZACIVSA-N 447.538 1.496 30 10 IDEE CC(C)(C)OC(=O)NOCCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674159 GAYSFWKZBOXXMR-UHFFFAOYSA-N 427.332 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC=C(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2248413245 UMJVIESRUJPBEG-UHFFFAOYSA-N 436.343 1.765 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255605719 NMGNHMZNIAUDOZ-LBPRGKRZSA-N 435.334 1.100 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255653486 JIKHRTJNLKKIRM-HUUCEWRRSA-N 436.314 1.679 30 10 IDEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255839532 AROWKIMLYSWATN-UHFFFAOYSA-N 427.358 1.755 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255850216 GHDDMEUFJFPIOU-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256624819 PHQRVIRYGUMTKS-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2259346392 SUBRVHSOHYAGHF-HIFRSBDPSA-N 434.346 1.752 30 10 IDEE CCc1nn(C)c(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267144844 BRUUBWSDPCRANH-HIFRSBDPSA-N 448.373 1.925 30 10 IDEE C[C@H]1C[C@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2267265735 JZLPJXOWGDSYJQ-WMZOPIPTSA-N 439.369 1.849 30 10 IDEE CC1(C)OB(C2(C(=O)N3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)CCC2)OC1(C)C 2267461494 RSJYLMXCQXZVDE-NWDGAFQWSA-N 447.263 1.384 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2268975964 STMJKCGDJJZGRA-UHFFFAOYSA-N 440.309 1.092 30 10 IDEE C#Cc1ccccc1CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286029480 NPAAGZHBRBOSCH-LJQANCHMSA-N 430.482 1.555 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(CC#N)cc1)NC(=O)OCc1ccccc1 2286036828 RFLWKJLLKYYYES-SFHVURJKSA-N 431.470 1.962 30 10 IDEE COC[C@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2305258703 TXZCDEFSSIGNGO-XMSQKQJNSA-N 432.521 1.691 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203066 SFMHOXRSHFPFSM-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nnc1[C@H]1CCS(=O)(=O)C1 12785353 VZIBPJLTESCTLI-OCCSQVGLSA-N 449.558 1.584 30 10 IDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 20914658 SRIUFBUYNBHOCV-LSFURLLWSA-N 441.473 1.281 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cn1 59830149 YASPCOSESCGSCF-YVJZOELXSA-N 425.522 1.790 30 10 IDEE COc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444405 XBQDAWOHAFQSHO-JKSUJKDBSA-N 437.456 1.346 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1CC 477014857 YVYVTFAYVJZNDK-UHFFFAOYSA-N 438.322 1.861 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1-c1ccccc1C#N 480941764 ZNFIUZIZIMCCAM-UHFFFAOYSA-N 448.504 1.539 30 10 IDEE CCOC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 482392281 CPNKIKNERUQGKA-HNAYVOBHSA-N 429.498 1.688 30 10 IDEE C=C1C(=O)[C@@]23[C@@H]([C@H](OC(C)=O)C[C@H]1[C@H]2O)[C@@]1(C=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O 504284188 ZJRYOJLHQNZBNA-TVYGZVJUSA-N 448.512 1.358 30 10 IDEE biogenic C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C[C@H](C)O1 505231346 GRSHAFIPFJKWPJ-HOTGVXAUSA-N 448.545 1.575 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@@H]2CCCO2)c1=O 505700147 NBQSKUPVLHJJHZ-KRWDZBQOSA-N 434.521 1.517 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cc(OC)ccc2OC)CC1 508936284 QMSSXYFHGZAGHL-HXUWFJFHSA-N 429.521 1.891 30 10 IDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CC1 510285113 AQJCUXRGUVNECR-UHFFFAOYSA-N 441.551 1.426 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC 518716152 APVYMUVATZZTJB-UHFFFAOYSA-N 443.569 1.601 30 10 IDEE COc1cccc(C[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)n2nnnc2C)c1 545462069 COOYYAAYHXWJHQ-FQEVSTJZSA-N 432.488 1.389 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)C2=O)cc1 549501636 YJASICTUXIZCIC-YZGWKJHDSA-N 426.517 1.921 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 555237796 OIIOSITUABYREF-YESZJQIVSA-N 426.587 1.011 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 558981693 IZJHUCFVPNFMIW-MSOLQXFVSA-N 439.582 1.583 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)nc1 566524090 PDAXQUYBAJGPTK-KRWDZBQOSA-N 438.387 1.737 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 576133381 YBLQEKLCYFBVDI-IBGZPJMESA-N 447.561 1.732 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1=O 590233247 FOSRTCBOTIXUBX-GIPWTMENSA-N 431.518 1.692 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 590913998 JPFJAVKAYXRJCE-GOSISDBHSA-N 425.554 1.673 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@@H]1CCCO1 611916146 KXCOMKQZTIUKHC-SFHVURJKSA-N 448.548 1.666 30 10 IDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 615307012 HCQUONNPHXLRHO-FQEVSTJZSA-N 446.467 1.551 30 10 IDEE C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 677951985 BJSYRHIWMRFDOS-QGZVFWFLSA-N 446.529 1.551 30 10 IDEE CN(Cc1cc(C#CCN)cs1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979075 JWMCPLHEYCMIAW-UHFFFAOYSA-N 431.539 1.506 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727557490 NCFCVJMINFUBRR-INIZCTEOSA-N 430.505 1.894 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 732467163 VUZWZNJDNGQFFR-QZQOTICOSA-N 437.500 1.524 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccoc2)c1=O 732664530 QHPRTEBCLQQZNP-UHFFFAOYSA-N 433.555 1.008 30 10 IDEE CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2C1 737305237 FZNOTRWHWRNPLB-ANNUQZOISA-N 439.516 1.628 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 742891769 KJFFFTNRFQBMQK-TXCZRRACSA-N 432.546 1.409 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1C#N 747494523 ABRDZQNYHOBZTE-UHFFFAOYSA-N 442.497 1.057 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 751921674 HRFLIQZBRIOTKW-WBVHZDCISA-N 433.578 1.437 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1OC 752062967 VUTRXCQIWIXPII-KRWDZBQOSA-N 446.504 1.720 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1 765546693 ZZFSCLPKXLVCBX-SFHVURJKSA-N 428.562 1.928 30 10 IDEE N#Cc1c(CCCNS(=O)(=O)c2cnn(CC3CC3)c2)nn(-c2ccc(F)cc2)c1N 777881807 RTYAAMFZCHYSSC-UHFFFAOYSA-N 443.508 1.983 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccccc4OCC#N)CC3)C2=O)n(C)n1 780566329 PZGGOLFSIHEMDB-LJQANCHMSA-N 436.516 1.584 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CCN1C1CC1 781529278 JAYUQHLUAKISMI-RTBURBONSA-N 436.965 1.947 30 10 IDEE COc1cc(Br)ccc1CNC(=O)C(=O)NCCNc1ncccc1C#N 787787891 QOWRYHZNCBOEQE-UHFFFAOYSA-N 432.278 1.569 30 10 IDEE COC(=O)[C@@H]1[C@H]2CN(CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)C[C@H]21 794990446 FQGRCZCKUDSQIP-MUMXORNYSA-N 426.517 1.707 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)=NO1 798837018 CCNDNUAUJVBYGA-SFHVURJKSA-N 427.505 1.872 30 10 IDEE COc1ccc(CN2CC[C@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)c(OC)c1 806027609 FABDXWGZFCQTIC-MJGOQNOKSA-N 427.505 1.186 30 10 IDEE N#CCc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1124726345 WFYLTIFBRAJXKU-UHFFFAOYSA-N 441.509 1.599 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)cc1 1125136742 XJAJJMKPNCHOBA-JKRPTORDSA-N 430.490 1.365 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 1128961874 HCYKKBKDGYIJAG-UHFFFAOYSA-N 425.482 1.532 30 10 IDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(c2cccc(C#N)c2)CC1 1162121889 RJHRJQHYCIIHNV-UHFFFAOYSA-N 428.470 1.935 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2)c1 1168643424 WQCVPTPIBKCQCN-UHFFFAOYSA-N 426.498 1.516 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1168716457 MFTWZSBDGVLTNG-UHFFFAOYSA-N 443.485 1.484 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1175931579 FTYZIOXDBZNXLD-RTBURBONSA-N 437.585 1.486 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCO[C@H](c2ccc(C#N)cc2)C1 1176586178 ANXYYHKIRNIGRW-BTYIYWSLSA-N 440.525 1.557 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)C2=O)cc1 1178547472 LLLXWIVCTKPFSX-NVXWUHKLSA-N 444.513 1.379 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c(=O)n1CCO 1189977691 VQXCICIHUWPUCZ-HXUWFJFHSA-N 428.464 1.369 30 10 IDEE COc1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1S(C)(=O)=O 1219139057 AIMYAAVXVZNNLE-GXTWGEPZSA-N 438.506 1.979 30 10 IDEE CNC(=O)[C@H](CNC(=O)c1cc(C#N)c(SC)nc1O)Cc1ccc(OC)c(F)c1 1277216116 ZNPWNIQXJPRCTC-ZDUSSCGKSA-N 432.477 1.863 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286389873 RZQDMMMUUASYNF-SJORKVTESA-N 431.493 1.043 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286391486 IWOQNNGVNVMPJS-MOPGFXCFSA-N 445.589 1.476 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1noc(CC)n1 1286463270 CSIUGZPKKGTRNR-UHFFFAOYSA-N 438.488 1.990 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1286548083 LUCXPDKETRORKA-IEBWSBKVSA-N 430.553 1.587 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1286609170 XZMYIEUMWSQZPA-KRWDZBQOSA-N 440.566 1.159 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286791669 YTCNORFJGVUCJM-DYVFJYSZSA-N 446.458 1.384 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286795755 LVFWDXQWRGCBTI-OLMNPRSZSA-N 449.533 1.063 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc32)C1 1286799786 AFKITRULIINXHZ-YESZJQIVSA-N 447.561 1.846 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1286824055 SVRQAHOAKLKWBM-UHFFFAOYSA-N 431.522 1.733 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C1 1296329948 OHEUZPDHBJTZQM-IRXDYDNUSA-N 436.513 1.319 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 1299483284 BIFQIOQIODUCSA-LJQANCHMSA-N 447.538 1.434 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)C(C)C)c1 1300332785 OATOTHATNZZQAH-JPYJTQIMSA-N 438.532 1.692 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1300448750 FAJCDDOVBIIQFH-UHFFFAOYSA-N 448.545 1.362 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300489237 KEFTZYDJRHOXNR-OXJNMPFZSA-N 449.964 1.781 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1300496392 QUUXPRJYJXEKKS-OALUTQOASA-N 437.610 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1300556930 OPTTWYFGDLDXKB-GJZGRUSLSA-N 425.505 1.787 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1300557919 ZYKVAURNMQGLQG-QGZVFWFLSA-N 429.546 1.717 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 1300732733 DROJQBIWEUPXLJ-UHFFFAOYSA-N 429.550 1.060 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1300820046 BSDVNIRWBHPCOJ-SAZZCXPWSA-N 444.536 1.560 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1301137975 ZVSASALDBCOIOR-INIZCTEOSA-N 440.614 1.939 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301237732 WVBOKVPBBYZNFT-MRXNPFEDSA-N 431.497 1.376 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1301502039 BAWOTCHPQQSBOL-IRXDYDNUSA-N 434.585 1.536 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301512086 LJNGYMWYZHIHHZ-XOMICKMZSA-N 437.504 1.729 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1301879472 GCBWTSXBZSUFTQ-UHFFFAOYSA-N 426.521 1.568 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCN1CCOC 1306617587 ACWNOEUXJXUCBA-HXUWFJFHSA-N 449.563 1.931 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1314224546 DWBLGGHZZMOCFQ-KRWDZBQOSA-N 440.504 1.511 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1358888317 KTXSBXHVIKUHQF-HOTGVXAUSA-N 427.596 1.356 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(=O)NCC)CCC1 1358941623 QZBLMSQEBHGCKP-UHFFFAOYSA-N 429.546 1.724 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358959023 ABPMLJFHYSRDLQ-HXUWFJFHSA-N 425.558 1.834 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358962553 RWVFWSRKMINLAF-FGTMMUONSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1358982061 IEWXJVXYDJDNSC-UHFFFAOYSA-N 430.390 1.480 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1359031174 SGEHYWXAJHYYEI-JOCHJYFZSA-N 442.568 1.080 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359132408 WVHQZVSIEVJEJO-GOSISDBHSA-N 445.593 1.909 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O 1359232958 LSLXOFYWTFVGFH-UHFFFAOYSA-N 443.371 1.704 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCCC1 1359234008 ZKTUWTRFOKNSFW-UHFFFAOYSA-N 446.577 1.863 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2cc(F)ccc2C1 1359291146 GQMXALAEYGHSOE-UHFFFAOYSA-N 435.463 1.929 30 10 IDEE N#Cc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)c(I)c1 1439397189 JMQNBOJUQVZHJX-UHFFFAOYSA-N 431.193 1.906 30 10 IDEE O=C1C=COC2(CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)C1 1458667210 XVLRSQRUWAQOJE-UHFFFAOYSA-N 437.474 1.458 30 10 IDEE C=CCN(C)CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1460033720 UNDPTNFQKVPILU-UHFFFAOYSA-N 448.633 1.448 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 1469872766 UTDLGEOUXZADPV-IBGZPJMESA-N 426.498 1.645 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C2(CC2)C1 1472631926 CMWSRRZNKLNFRB-INIZCTEOSA-N 434.518 1.352 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 1475600666 FHNIWSBJESXPHX-RUCARUNLSA-N 434.539 1.886 30 10 IDEE C[C@@]12CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@]1(C)CS(=O)(=O)C2 1478420617 AZNDHAWTFCWARH-UIFIKXQLSA-N 430.530 1.520 30 10 IDEE CCCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1500692179 YGDRJWPEWCSWKK-MRCUWXFGSA-N 434.504 1.889 30 10 IDEE COC[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504584954 NVCIQZGKVUXFHW-SFHVURJKSA-N 434.504 1.595 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)CC1 1504912956 DNCNKBMEESBEAL-UHFFFAOYSA-N 432.532 1.926 30 10 IDEE CS(=O)(=O)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1505136625 DQRLYWPWSQUHLS-UHFFFAOYSA-N 449.533 1.017 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccn(C)n1 1507703376 VVOCQHLWEGHVAM-UHFFFAOYSA-N 441.923 1.729 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nnc(C)s2)CC1 1507737658 BKMLJGISBPVGCU-MRXNPFEDSA-N 429.550 1.694 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507783133 SMDFJAMAEJCXEV-INIZCTEOSA-N 439.339 1.659 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507843249 VBMUIZBVKANZLL-HXUWFJFHSA-N 440.596 1.933 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C)C1=O 1508033050 JQFYFAINEICKQM-QFIPXVFZSA-N 426.521 1.707 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCC(N)=O)CC1 1508072288 ITENNUOZJNSWFN-UHFFFAOYSA-N 432.912 1.371 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC1COC(C)(C)OC1 1508092915 RWLZZUAVMATDAX-UHFFFAOYSA-N 431.541 1.277 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508094490 YHERLXZPOWUBKP-HOTGVXAUSA-N 434.541 1.530 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1508097610 JDIJGIQRDHKAEC-MJGOQNOKSA-N 445.612 1.257 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)C1 1508111549 ZUPCOMSAUWBJED-DZGCQCFKSA-N 438.554 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CC)C1 1508147961 OIMUYRWYEVOEJP-BBWFWOEESA-N 428.555 1.218 30 10 IDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)Cc1cccc(F)c1 1511884835 IADVLRIHOCZHJQ-UHFFFAOYSA-N 448.506 1.678 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1517303773 KNNAILUXPVMLEK-KRWDZBQOSA-N 425.493 1.485 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1517303780 KNNAILUXPVMLEK-QGZVFWFLSA-N 425.493 1.485 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1539011138 ABWQRWNGWQHBPU-CRAIPNDOSA-N 435.525 1.451 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1539015842 WEWSNXKOQVWXKN-GDBMZVCRSA-N 437.591 1.978 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1539094315 NXGUCPVJELQQKR-OAHLLOKOSA-N 437.595 1.475 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539102043 QUIXPJKMPSWWDE-KRWDZBQOSA-N 442.545 1.318 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1539438205 RIUXHNFZFHGBLH-UHFFFAOYSA-N 447.587 1.807 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[S@@](=O)CC)CC1 1539441093 KRIPLIMZNQOKDD-PMERELPUSA-N 431.562 1.486 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1539632781 UDRPMDWPCPOLTA-QKLQHJQFSA-N 433.553 1.624 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1539642698 JOLXRBTYGUDBDB-OPYAIIAOSA-N 427.553 1.788 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1539765601 GYCAQFHUTYJVDH-QGZVFWFLSA-N 446.577 1.660 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 1540040356 SFENKQIFZYLPOF-UHFFFAOYSA-N 425.555 1.007 30 10 IDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1540088554 MNZUZPIMEAJQRA-UHFFFAOYSA-N 436.534 1.428 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2NS(C)(=O)=O)s1 1540640237 UKSMDULVTLGBQE-UHFFFAOYSA-N 429.545 1.765 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccco2)C1 1540902139 BJBUPYRZIOLREH-WMZOPIPTSA-N 436.534 1.944 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H](C)N2CCOCC2)CCOC1 1541724509 SRNGBKWKSAGSAH-XMSQKQJNSA-N 432.569 1.779 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1541911893 ZDOSIOFWVCAMGV-IIDMSEBBSA-N 432.550 1.821 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccccc3C#N)CC2)s1 1542684038 OTBQVXWRWUPWAC-UHFFFAOYSA-N 430.555 1.975 30 10 IDEE C[S@@](=O)C1(C(=O)NCCNc2ccc(C#N)cn2)CCN(C(=O)OC(C)(C)C)CC1 1543449885 NURICNKARXTBLH-SSEXGKCCSA-N 435.550 1.630 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1556140449 CZXFPFHFRRQFDR-QGZVFWFLSA-N 426.498 1.964 30 10 IDEE CN(CCN(C)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1)CCN1C(=O)c2ccccc2C1=O 1556854755 FQBRTJYPTXZZDJ-FQEVSTJZSA-N 443.507 1.927 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)cc1 1558481645 SFKYFSXJLGHJSA-WDSOQIARSA-N 436.530 1.724 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1cc[nH]n1 1565685690 KEZDQQBUUSCTKR-UHFFFAOYSA-N 449.552 1.623 30 10 IDEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584197174 OQLGUYQIHNRMEP-BZSNNMDCSA-N 442.472 1.380 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)cc1 1584228365 PUZXTZFAPCFWAO-GOSISDBHSA-N 435.546 1.974 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1587783016 IFRZMNGWMKFGQQ-SFHVURJKSA-N 428.537 1.032 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1587909532 MWXFGEMRSWCFRS-MRXNPFEDSA-N 427.534 1.251 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCCC1 1588139545 OUTWSZKJNLEXEM-UHFFFAOYSA-N 446.559 1.571 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1588845090 UADLTWWWNWKSOW-OALUTQOASA-N 438.590 1.961 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)COCCO2)CC1 1588872049 WPPJAWHDBUBUCN-HSZRJFAPSA-N 441.532 1.426 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H](O)C2)CC1 1588885692 YJRRUHUZMXOIPX-HKUYNNGSSA-N 442.564 1.031 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)C1CC1 1589070676 WAOKYZWOKSWFCB-INIZCTEOSA-N 425.580 1.132 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1595283858 YNEVMPUBOHSGJK-UHFFFAOYSA-N 437.548 1.620 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595659003 QHPKIOUAQJUOTG-PMACEKPBSA-N 441.532 1.736 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595659374 WXLPZIFAXCAAKH-UYAOXDASSA-N 441.532 1.736 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1595773131 RCMBWZXFWPILHU-UHFFFAOYSA-N 444.561 1.768 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br 1611039484 IECHTLPTJBKZBK-SNVBAGLBSA-N 432.238 1.765 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCCCCNC(=O)CC2)cc1 1614594156 DFUOWQWVSYZIET-LJQANCHMSA-N 432.546 1.620 30 10 IDEE COC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1618903051 AHNCBZALWPEQQT-HLAUDOPJSA-N 443.508 1.034 30 10 IDEE COC1(C)CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619040072 VEUBRJQXZDBFHO-ZPHPHTNESA-N 426.452 1.836 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 1620507284 GLYGAWHGPQRAMR-UHFFFAOYSA-N 431.493 1.496 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnc(I)c(O)c1 1623197351 LCQRWALIOCOKKU-UHFFFAOYSA-N 426.218 1.274 30 10 IDEE COC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC2(CCC2)C1 1624061815 DBXIQZRUPIWNEA-UHFFFAOYSA-N 431.514 1.515 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1624664777 PUIZNOLNRSAUEQ-UHFFFAOYSA-N 427.549 1.402 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1627025429 CVCHSQBPQVHGGQ-HNNXBMFYSA-N 437.928 1.865 30 10 IDEE N#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1627543656 NIHLPAMSBLSRHL-LLVKDONJSA-N 429.285 1.481 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(Br)ccc2Cl)CC1 1628146805 RJKGDSKPRTXNBP-UHFFFAOYSA-N 426.742 1.929 30 10 IDEE CC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccs1 1630984299 RSUMOSGWMYGRCF-INIZCTEOSA-N 448.570 1.778 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 1632624526 SEWVGZZOIDOTDS-IBGZPJMESA-N 436.597 1.847 30 10 IDEE COC[C@]1(C(=O)OC)CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1632808811 DCZDMKVPFFNZPD-SHCPHELZSA-N 435.521 1.954 30 10 IDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1638529296 KLVDLXXNTDJDQO-UHFFFAOYSA-N 445.497 1.413 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(C(=O)OCC)cn3)CC2)c1 1641510172 CGEKKGYDBJDTRM-UHFFFAOYSA-N 435.484 1.710 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)o1 1641855116 LGCZISTYWSGENK-UHFFFAOYSA-N 449.485 1.874 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1642900108 JVCZEEMQCICGMU-UHFFFAOYSA-N 437.387 1.550 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1647804961 QQXDGINXFPBVKI-CVEARBPZSA-N 447.540 1.363 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 1651665376 HHRIZXCHXLZEJX-APOCOGJHSA-N 434.493 1.141 30 10 IDEE CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1653049641 ADZYUGIHMHVWCZ-INIZCTEOSA-N 447.538 1.424 30 10 IDEE N#C[C@]12CN(C(=O)c3c[nH]c4ccc(Br)cc4c3=O)C[C@H]1CS(=O)(=O)C2 1653072794 LFXICJFXMRFGGK-DYZYQPBXSA-N 436.287 1.301 30 10 IDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1660620051 ARAMEGPXLBIPIA-FQEVSTJZSA-N 431.452 1.988 30 10 IDEE C=CCC1(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CCOCC1 1665797657 DXRXJVQBHQMQBX-UHFFFAOYSA-N 439.534 1.963 30 10 IDEE CCOC(=O)c1c(NC(=O)NC(C)(C)CN2CCN(CC)CC2)c(C#N)cn1CCOC 1670537186 DEWCUQOPTYGODN-UHFFFAOYSA-N 448.568 1.720 30 10 IDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 1673381872 SQGVPKBMQJFXNA-GJZGRUSLSA-N 440.953 1.825 30 10 IDEE C#C[C@@H](NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 1677377291 GMACSKJPEQKSLM-RBUKOAKNSA-N 435.366 1.829 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1682021305 DGUATTCCMWFBJQ-IPQPSQTFSA-N 430.530 1.314 30 10 IDEE C#C[C@@H](C)NC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1682344272 GFPHWYXOHHFBOF-OAHLLOKOSA-N 437.522 1.479 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCc3ccc(C#N)c(F)c3)CC2=O)C1 1683350325 PULCYOOCIXHVLH-HNNXBMFYSA-N 431.468 1.717 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1689989047 AQCDVEXCIRZJIG-DLBZAZTESA-N 426.608 1.942 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1690011737 AYDLIONIQNKKFK-OAQYLSRUSA-N 443.511 1.917 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1690622053 GVFZUEFUSZWCPN-QZTJIDSGSA-N 425.599 1.551 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1690622339 NFQJGGNNZKMNRA-JXFKEZNVSA-N 426.583 1.760 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690668813 KEQNAHCJZNIYBV-HOCLYGCPSA-N 444.540 1.330 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1690727159 VTVJLPXQSDAADE-HXUWFJFHSA-N 444.605 1.929 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1692665154 RFQPCDSJMHPQFM-CABCVRRESA-N 431.584 1.133 30 10 IDEE CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1695523540 LDLNVBARTDBJSU-AWEZNQCLSA-N 432.506 1.040 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)n1 1696886418 HWDBWQYWNVJPLK-UHFFFAOYSA-N 431.302 1.358 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1697558052 KDRGLPMELFNHBJ-VBKZILBWSA-N 427.440 1.384 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705570045 LXRAPLVZMDAMQV-LSDHHAIUSA-N 434.484 1.825 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1705592035 PETOPUNRNRWEKE-HXUWFJFHSA-N 445.365 1.576 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1705631739 OWCJKHRBRFRTKN-FQEVSTJZSA-N 427.597 1.390 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC(C)(C)C)CC1 1705633869 AKINHIJHVUDVEQ-UHFFFAOYSA-N 445.589 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705647137 BBSFFCZKXNQVKB-NRFANRHFSA-N 442.608 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705649645 BTXWQYVRPWPBOD-SFHVURJKSA-N 433.578 1.164 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705668657 QULUJAAGLCKJCY-ZHOIUHGQSA-N 435.594 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1705916055 IFQBPSAEWIUECJ-UBBRYJJRSA-N 436.553 1.640 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCOCC2)C1 1705926816 LFJCZXBQCAJXPM-SFHVURJKSA-N 426.521 1.327 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)C1 1706938952 XSRQNALZUXCANK-FDDCHVKYSA-N 438.532 1.962 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOCC1CCOCC1 1707911032 ATVDVUKTQCRKJH-KRWDZBQOSA-N 440.552 1.797 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712251319 ZUKHFQOIDRKUIY-JROKQLJMSA-N 444.536 1.561 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1712303383 GPHRKLIOXCLHEF-UGKGYDQZSA-N 427.505 1.741 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1722340375 VUWXILUGYJUNDP-UHFFFAOYSA-N 428.512 1.668 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CCCO 1722351915 MBAQHMXCQNTYGZ-FQEVSTJZSA-N 438.580 1.368 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1722353381 VJFIKOCMYBUXDD-OALUTQOASA-N 425.537 1.573 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1722389896 NMRJHJOYMITERM-MRXNPFEDSA-N 443.529 1.171 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722419109 ODGDZQCFKXTCOU-KRWDZBQOSA-N 448.568 1.761 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722435394 LPAPGTRQURRVFL-HXUWFJFHSA-N 439.583 1.865 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCN(CC)CC2)CC1 1722439780 PETZQAHKJVGRDR-UHFFFAOYSA-N 441.649 1.713 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722695201 WUGYHVFBAGOKMA-HXOBKFHXSA-N 436.516 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1722698080 UCKXDXPSVVRVEU-UHFFFAOYSA-N 429.916 1.672 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1722702048 JCKCJPWXXCTWHJ-KRWDZBQOSA-N 426.496 1.836 30 10 IDEE CC(C)OCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723708050 QDIVQHLAEWBUSP-UHFFFAOYSA-N 439.520 1.864 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1723777939 BXQXAAXLKAYWTL-PBHICJAKSA-N 440.533 1.752 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1730763050 ATCGDYMJRAACLC-KRWDZBQOSA-N 447.565 1.056 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCN(C(C)=O)CC1 1740558461 SVHKDOAJDPDCCG-LJQANCHMSA-N 433.560 1.903 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740579567 QILOYMQSXKGHPE-LJQANCHMSA-N 425.537 1.646 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740625372 NKXMKUVGYGNRNK-YLJYHZDGSA-N 449.602 1.422 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1740683198 XWVOTJAQPPWISM-KRWDZBQOSA-N 440.470 1.633 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(COC)CCC2)CC1 1740698592 IQGHHXZSBXAPQO-UHFFFAOYSA-N 442.589 1.842 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccn(C)n2)CC1 1740708115 CGCXHRSLSLUPDP-UHFFFAOYSA-N 447.543 1.647 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1740716310 WCBNXCQXZPGRGQ-UHFFFAOYSA-N 448.556 1.891 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740795627 ZNKMEEXRWDDRBH-SJLPKXTDSA-N 431.541 1.949 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740960107 LIYHCXHRMVFQHQ-BXWFABGCSA-N 443.504 1.333 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1741000787 GPVHGUDGNCKBLO-OAHLLOKOSA-N 442.611 1.057 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1741475144 ULOPARDNDBEOIM-SFHVURJKSA-N 436.564 1.985 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1741799463 JQZHALZRTLTCQP-MRXNPFEDSA-N 442.568 1.770 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC(C)(C)O1 1743244228 HCUWHULNDMXRHC-PBHICJAKSA-N 437.504 1.809 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNS(C)(=O)=O 1743676441 DEWKGSIZUPKLLF-CYBMUJFWSA-N 433.538 1.266 30 10 IDEE CN(C)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747531373 QBXVCNJQXVQSND-CQSZACIVSA-N 425.493 1.185 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1748716193 VYLGSDKZQZOWQB-BZUAXINKSA-N 430.596 1.242 30 10 IDEE C#CCCCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1748726551 GIVHYGOCXHVDCU-UGKGYDQZSA-N 448.589 1.749 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1748801498 BBPMBCDMLQXUAS-OAHLLOKOSA-N 440.485 1.193 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1748811662 JWYZYYPIJGZTHQ-KRWDZBQOSA-N 430.578 1.395 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1748840466 BIRFKEFYADRXBS-HSZRJFAPSA-N 443.555 1.756 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1748923054 RLULHOLMEDLZLU-QFBILLFUSA-N 436.516 1.703 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(F)c2)CC1 1749009643 UQFXJMDFJZKFPH-UHFFFAOYSA-N 449.490 1.897 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749043107 AITPLNUJAJZFMB-INIZCTEOSA-N 431.591 1.556 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1749387066 RMUQZBSVIPHERS-QGZVFWFLSA-N 439.582 1.222 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1749658088 LLHSHZNTIHMXNM-HNNXBMFYSA-N 432.912 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1749725549 SACPTQRQZGDCOB-UHFFFAOYSA-N 449.552 1.859 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1750060449 LOZVGQBANIWFNE-LJQANCHMSA-N 447.499 1.601 30 10 IDEE CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1750687481 HWGBLLVGLIYLCA-RBUKOAKNSA-N 446.577 1.863 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1750990369 GXYDYQFNGZTZHB-NRFANRHFSA-N 442.545 1.356 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2cc(C)cn2)CC1 1760254570 BHWLUAVTXYUBGA-UHFFFAOYSA-N 435.532 1.923 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760346413 XYFKWZUUXXDEKF-YYIAUSFCSA-N 425.555 1.048 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760373766 BQRVVLGYIJLGGV-JKSUJKDBSA-N 444.001 1.921 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760448622 JZZCLKIKZNPRGU-IBGZPJMESA-N 441.580 1.999 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1760495322 KWGVASBEBPWART-QGZVFWFLSA-N 439.545 1.988 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 1760525002 QFZLZESFKCMOFL-UHFFFAOYSA-N 442.539 1.611 30 10 IDEE CC(C)NC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1761262179 HIQGACJOQGAONS-GCJKJVERSA-N 445.568 1.020 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1761360505 NZXTVAAAAORPEW-PBHICJAKSA-N 448.531 1.845 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCCc1ccccc1 1762610814 HBZZRIKIPYWUHP-QGZVFWFLSA-N 445.531 1.322 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1768686955 UZAWTGDDDXGCDL-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1769349803 KYTCQLRBLXVKMP-UHFFFAOYSA-N 448.487 1.188 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1771369937 UXNQIWRBXSRKLW-BEIWTESXSA-N 430.490 1.883 30 10 IDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C)[C@H]1CCN(C)C1=O 1849196817 GWZYXTGZPIRQSG-IRXDYDNUSA-N 427.954 1.888 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)NCC#CCN1CCc2ccccc2C1 1850297043 OOQGIANNMYRMLK-KRWDZBQOSA-N 429.517 1.670 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)n1 1851209762 LGKAKLLJJFATQR-UHFFFAOYSA-N 426.502 1.095 30 10 IDEE COc1ccc(N(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C(=S)N=CN(C)C)cc1 1851620059 KDMNNSDDVIDYRN-HNNXBMFYSA-N 432.546 1.931 30 10 IDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)c1 1855724018 SGQPXIGZGVVHTA-HNNXBMFYSA-N 427.482 1.558 30 10 IDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857025889 CFAAITYTNGOLEU-GDBMZVCRSA-N 437.493 1.533 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)cc1Cl 1865722385 PWWMYQDQPYUITC-LBPRGKRZSA-N 437.283 1.388 30 10 IDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)c1 1870099673 RPQYVFDPFOMBAH-UHFFFAOYSA-N 439.413 1.745 30 10 IDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(NCCN3CCOCC3)ncnc21 1875227868 OWZDZTHMZXTHLV-IRXDYDNUSA-N 428.537 1.611 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 1891110274 JPRSEPAJBCFIDL-UHFFFAOYSA-N 444.532 1.622 30 10 IDEE C=C(CNC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1899525597 JVQQEKUZWWBTPF-ZDUSSCGKSA-N 432.348 1.228 30 10 IDEE CC(C)(C#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)NC(=O)OC(C)(C)C 1993919529 OEHCGUMPLOHTKY-LSDHHAIUSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2085300092 FNJMRFYDWRZGJG-HNNXBMFYSA-N 437.346 1.935 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2243403040 RARLSYGTHWSOHB-IRXDYDNUSA-N 440.309 1.896 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2248442774 KYTLLSDGFQGZOO-BXHXUVEDSA-N 436.343 1.597 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(OCc1ccccc1)C1CNC1 2255633740 GTIIEJTUTUQISD-UHFFFAOYSA-N 426.326 1.574 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255635353 YMXNVTOTSFTFDR-UONOGXRCSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255657324 NMZXLPRFUWVAPN-ZIAGYGMSSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255830247 CEUCNSZHAZJPNP-LLVKDONJSA-N 448.251 1.894 30 10 IDEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255841054 WGNIYCNZSAGLLK-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2255841161 XMNLCTOTAKCTCM-RDJZCZTQSA-N 425.342 1.507 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)n1 2267506091 RZGBBLICRWZFAM-JOCHJYFZSA-N 449.357 1.695 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2267516592 GPFPIRYIAWGQQH-HUUCEWRRSA-N 448.373 1.918 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267567954 OBBVDFGGMBJJTN-HNNXBMFYSA-N 447.341 1.510 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267882252 PUNZAGQXSNJPNG-NEPJUHHUSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268642573 TWCLQBVSDVYEQV-SFHVURJKSA-N 446.353 1.756 30 10 IDEE C=CCO[C@@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270525175 ABRFRNRRXIXKAT-SJORKVTESA-N 426.491 1.061 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCCSCC(=O)O)cc2Cl)OC1(C)C 2284409955 PGUHLHMLCPRRLD-UHFFFAOYSA-N 441.789 1.797 30 10 IDEE COCCNC(=O)[C@H]1C[C@@H](Oc2ccccc2)CN1S(=O)(=O)c1ccc(C#N)cc1 2297645209 IGQZQMBYDSLEKL-UYAOXDASSA-N 429.498 1.531 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2311711657 WRKMFCQOLGWAEG-XUWVNRHRSA-N 440.346 1.412 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2315532579 UOYDNPZECITJGA-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535009 WGWWUNJMCWNGOK-CQSZACIVSA-N 436.362 1.998 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2327828262 DBFGMVWRQCDGGK-ZDUSSCGKSA-N 445.505 1.760 30 10 IDEE CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OS(=O)(=O)c1ccc(C)cc1 32107177 BBWKTKLCLZHSJW-ZPLOVTKXSA-N 436.482 1.915 30 10 IDEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)NCc1ccc(F)cc1 59884745 YSDJFXBCOMOPPC-LSHDLFTRSA-N 444.452 1.894 30 10 IDEE COC(=O)/C=C1/SC(C(=NNc2ccccc2OC)C(=O)N2CCOCC2)=NC1=O 254572811 JISXUCNBMKUEFU-YDNUFFSXSA-N 432.458 1.051 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)o1 471187737 NLASSGPWOAJCGM-KRWDZBQOSA-N 429.542 1.519 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1 472974013 FFZCLOXSIHYFNY-INIZCTEOSA-N 433.490 1.645 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2=O 485984840 AOHROZWXLVJQAE-MTTLDHAHSA-N 437.500 1.276 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2C)nn1 489185676 QMSDTVNOJAVPHJ-IBGZPJMESA-N 445.483 1.772 30 10 IDEE O=C(NCC#Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 490137958 DBDKFZRLGYMPOR-LJQANCHMSA-N 426.494 1.746 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 503628018 XABKLQRSVHNQHY-OAHLLOKOSA-N 434.443 1.725 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 507077171 GKAYZNVMYNMMJA-GOSISDBHSA-N 441.528 1.662 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CC1 531043050 AMMWWHRFPHZLIM-PMERELPUSA-N 426.498 1.571 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)n1 546219769 LAXIJKWNYWBAOI-SFHVURJKSA-N 426.546 1.920 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 572766782 KBNPVFPWGFKSSN-UHFFFAOYSA-N 444.273 1.619 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 579768616 MEYGKDYTBSYDEC-UHFFFAOYSA-N 440.572 1.628 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COC(=O)c3ccc(-n4nnnc4C)cc3)cc21 586271399 LPAMVTBPGHQASR-UHFFFAOYSA-N 433.424 1.922 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(CN2CCOCC2)C1 590557787 JSZBEXYTZBCRII-UHFFFAOYSA-N 438.322 1.889 30 10 IDEE COc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc(Cl)c1OCC(N)=O 590618303 XAMHKGNEFQLLDI-UHFFFAOYSA-N 429.864 1.442 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 604104372 WGSRFZCVLYGFST-MRXNPFEDSA-N 442.545 1.796 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cscn2)C1=O 730145330 ZNVAYLMCKFJKTJ-DVCONVQISA-N 446.602 1.649 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)n(C)c1 740202626 GHADRXOPZFHIDY-GOSISDBHSA-N 433.486 1.998 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(OC)c(C#N)c2)cc1 746959062 CIVICUXZQVISKC-UHFFFAOYSA-N 432.454 1.765 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)c2ccc(C#N)cc2)[C@H](C)O)cc1C 748217900 SXOGAHYIADAZCF-MGPUTAFESA-N 430.482 1.629 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 751923109 SAYDKBBPPSGDNU-CZUORRHYSA-N 437.541 1.268 30 10 IDEE CC(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 753290686 DSCQRBQKHKMAAK-IBGZPJMESA-N 427.505 1.968 30 10 IDEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(-c4ccc(C(N)=O)cc4)c3=O)cc2s1 755047785 JJADDWQFYYFPSC-UHFFFAOYSA-N 443.513 1.943 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 763654003 LZXWLDTXZJARPT-UHFFFAOYSA-N 441.575 1.241 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 769106204 PTSHGUBJBHIYBH-DNZUHHBVSA-N 440.422 1.682 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1Cc1ccon1 782923970 AXVNYTFAMBYDOE-UHFFFAOYSA-N 443.488 1.300 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)n1 790109248 RKEFEJRQGZXGBQ-RTWAWAEBSA-N 440.500 1.263 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 794644169 COSLRKHLQRNOCZ-UHFFFAOYSA-N 431.521 1.632 30 10 IDEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 802556342 ULOBGPRGHKEWQO-UHFFFAOYSA-N 426.912 1.990 30 10 IDEE C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 803701614 ZEKIVUOLZRHCIB-INIZCTEOSA-N 432.498 1.241 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)cc1F 813689285 IEFMIHDCDCFNEB-IUODEOHRSA-N 441.481 1.958 30 10 IDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3)n2)s1 1084439958 OUWUISADVKQYIB-UHFFFAOYSA-N 449.547 1.410 30 10 IDEE N#CC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(F)(F)F 1133828207 SXCVYOMHUXZSSP-FZMZJTMJSA-N 431.392 1.584 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1133887354 KCCWHBUQLXQHIV-UGSOOPFHSA-N 440.378 1.764 30 10 IDEE C#CCCCn1c(N(C)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286360958 XAVMUCRKFBQMPO-IYBDPMFKSA-N 439.582 1.943 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1286366751 CRCOSEKEKXBMPO-OAHLLOKOSA-N 433.534 1.456 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286391188 GRMVWSJKOBAADU-LJQANCHMSA-N 443.573 1.586 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1ccco1 1286407590 NHOIXYPRXLYGEO-UHFFFAOYSA-N 441.451 1.690 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1286410147 SHMORQJKXAUNPC-UYAOXDASSA-N 437.569 1.704 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCNC(=O)c2cc[nH]n2)CC1 1286483372 IIKSRNFIBKYEKK-UHFFFAOYSA-N 446.559 1.362 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(C)nn(C)c2C)CC1 1286489713 DFNSIHHGSYRYJG-UHFFFAOYSA-N 435.536 1.043 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)CC1 1286663388 LNZLHXUUPOEVSF-MRXNPFEDSA-N 429.612 1.767 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286711551 MNATZTMHRFRIKV-MRXNPFEDSA-N 427.571 1.283 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@H]1C 1286741286 GALVQCKUIZVDCD-BTCOZLQPSA-N 436.516 1.833 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2C)C1 1286788433 WLTBHONRNBDCTB-MSOLQXFVSA-N 443.573 1.785 30 10 IDEE CC(C)OCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1288413641 LNLLITRGIQFOPX-UHFFFAOYSA-N 440.548 1.801 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1C[C@H](F)C1 1288861876 FPYGNMOCBQYXBT-JKQORVJESA-N 439.561 1.203 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1CCCO 1297189702 ZTQHNTIVSXOVDE-GOSISDBHSA-N 441.536 1.196 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1300308604 CZYRRHPIUDJTLX-DZGCQCFKSA-N 438.579 1.136 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1300363779 GFSGZJSJQXMFKI-SFHVURJKSA-N 431.566 1.492 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300392534 ZCXSFBRFFHLJSV-UHFFFAOYSA-N 443.939 1.981 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1300501067 GUQWHEZURXTYGI-GOSISDBHSA-N 449.621 1.800 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1300573195 DOKVGNRFAZULNI-UYAOXDASSA-N 438.532 1.865 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1300672948 BVPNLTBNTYEVSW-QGZVFWFLSA-N 432.546 1.398 30 10 IDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300972473 KUNQLEDRBZXFFC-UHFFFAOYSA-N 446.596 1.935 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1301297709 TWHMBUKAAJIBEO-LJQANCHMSA-N 443.573 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)C[C@H]1C 1301575673 JPOBBCFJKQCYHG-OAHLLOKOSA-N 443.529 1.959 30 10 IDEE COCCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1302121061 PFIVIDMSHSZDPL-NRFANRHFSA-N 448.568 1.759 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CCO1 1303003152 CXANYNQUCMNXKC-RTBURBONSA-N 429.546 1.932 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)OC 1315807177 FYOPRKBRYALKKV-NZSAHSFTSA-N 440.504 1.105 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@@H]1CCCO1 1318790119 IOTMEQBCNMYSHR-IBGZPJMESA-N 435.549 1.383 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCN(C(C)=O)CC1 1358970683 VDGCMFBLHGOHLA-UHFFFAOYSA-N 444.583 1.985 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(C)C)nc1 1358992566 PNMQNPWBPFZHCK-UHFFFAOYSA-N 431.500 1.978 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1359023366 IIRKOOMNEAZDGD-QRQCRPRQSA-N 438.488 1.220 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)CC1 1359036482 XPNDIOQFTIKOKF-KRWDZBQOSA-N 449.527 1.456 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359077687 IYLWNKXGBKWETD-IGQOVBAYSA-N 448.387 1.516 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1359277176 DSNAGNNEUZNJSP-SJLPKXTDSA-N 436.534 1.424 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1359282184 SRTZAAXUZUWALQ-OAHLLOKOSA-N 448.574 1.872 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1359747694 GVCSFLBETPDOQT-LJQANCHMSA-N 447.561 1.739 30 10 IDEE N#CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F 1462890815 HLYGROJUHAQLAW-RISCZKNCSA-N 434.396 1.956 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1 1465842899 HZRMYBRRPKWQCJ-UHFFFAOYSA-N 426.494 1.787 30 10 IDEE C#CCOCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1478295766 VXLUFQURKGSEKZ-AWEZNQCLSA-N 427.242 1.124 30 10 IDEE CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)o1 1498259642 AYOAUOJRLIKBQA-PXAZEXFGSA-N 425.490 1.237 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1503398630 BBIRXHKOUKWAKM-TZIWHRDSSA-N 440.548 1.890 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1503437846 KTBBWCAYGDDQCD-QGZVFWFLSA-N 446.458 1.536 30 10 IDEE COCCN1C[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CC1=O 1504901917 WKYOSDJCISTUCF-HUUCEWRRSA-N 443.508 1.239 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCN(CC)CC1 1507535319 XRTZBEKEMITPAV-QGZVFWFLSA-N 427.553 1.491 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1507630782 HLZNPGSEPCVHOE-IBGZPJMESA-N 430.578 1.991 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507632152 XQFVKIZQOQWILB-HXUWFJFHSA-N 442.589 1.843 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1507633012 CGXPHVKFBQGSSY-QGZVFWFLSA-N 447.536 1.161 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1507717985 KDOUAHPEBZAGIB-HXUWFJFHSA-N 443.573 1.676 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)C2CCCC2)CC1 1507718433 DNCVGCUCTQJPQA-DEOSSOPVSA-N 444.624 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1507723659 PQZXTYLBXBKQRG-INIZCTEOSA-N 448.449 1.773 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507753195 JBUMBFXJJZHNDN-AZUAARDMSA-N 432.638 1.832 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507755989 KDJUPNIWTRPRQH-UHFFFAOYSA-N 438.536 1.886 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507798439 NZPIQEYEDVJKCM-LMMKCTJWSA-N 442.568 1.990 30 10 IDEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1507929159 NQYGDECRRCJZDL-IBGZPJMESA-N 435.536 1.536 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508085739 ISIGNRXURBGTFL-INIZCTEOSA-N 435.525 1.324 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1515744561 VCPZFYPNRCIIEF-SFHVURJKSA-N 433.534 1.493 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1515891924 HPFQEYZZODUTPF-ZWKOTPCHSA-N 427.528 1.839 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1516008054 SGJDKCKYXOKFEC-LJQANCHMSA-N 439.520 1.474 30 10 IDEE CCOCc1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1516597889 TZFZPAIMCXZVGL-MRCUWXFGSA-N 443.552 1.406 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)C1 1517408205 CTNHOZAMBKRETR-HSZRJFAPSA-N 435.532 1.925 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539200189 BEHXYADHZDZFNP-ZDUSSCGKSA-N 449.499 1.632 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1539427660 GJKNYADCIZVXSI-UYAOXDASSA-N 437.548 1.742 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1539454236 KBKMWECUXMVAPV-UHFFFAOYSA-N 429.528 1.361 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1539578980 GTLUZXRQPGMUGC-OLZOCXBDSA-N 436.376 1.658 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1539613074 UGLONWYPQYGDAB-AQNXPRMDSA-N 446.596 1.652 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539634582 BNRARJDTIXMAJA-XLIONFOSSA-N 425.537 1.642 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1539999417 HHJQKBBLJAVWLU-UHFFFAOYSA-N 436.538 1.490 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540004762 FYBDYLLAFVBZKD-RTBURBONSA-N 436.626 1.363 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1540200578 DFHSEENXVYJOGV-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540863610 ZIMKTWUKQIEAMS-ROUUACIJSA-N 431.585 1.227 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(C(N)=O)nc2)CCOC1 1541105230 GOACXANSTQAEGQ-BTYIYWSLSA-N 427.509 1.457 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1541261996 MJAIKJAUEUOLOL-HXUWFJFHSA-N 438.532 1.927 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)s1 1542356725 VCUXLWIGQMJIOZ-YESZJQIVSA-N 441.619 1.855 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1 1546323829 SITAXAXIUIFLCI-UHFFFAOYSA-N 435.452 1.937 30 10 IDEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1546893965 DSSGICLTUSYCKQ-VXHFXFQXSA-N 443.552 1.634 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(C)O)cc(OC)c1OC 1554745118 DRLFKTMTAURUQH-HNNXBMFYSA-N 431.493 1.861 30 10 IDEE Cn1[nH]c(C2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)nc1=N 1556355793 BAOMGMGLOVRQSY-UHFFFAOYSA-N 444.337 1.704 30 10 IDEE C=C(CN(C)C)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1565787633 QWZMMTKAABEGBL-UHFFFAOYSA-N 444.395 1.485 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1587299894 DFWLIXVBFAUZER-UHFFFAOYSA-N 436.486 1.317 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C(C)=O)CC1 1587574288 FVCPNXNYCMXTHA-SFHVURJKSA-N 446.559 1.957 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)F)c1 1587693698 WCOARQXUIGXUGY-OAHLLOKOSA-N 446.458 1.220 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](C(F)F)CC3)CC2)cc1 1587870979 ZWBMWDULGLXATF-QGZVFWFLSA-N 427.473 1.842 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588049902 NBNJXHXBBXSBQM-VQTJNVASSA-N 442.589 1.841 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([C@H]4CCC(=O)N4)cc3)CC2)cc1 1588157878 JGRKIQOKYVLLFF-HXUWFJFHSA-N 438.509 1.656 30 10 IDEE C#CCSCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1589125183 HEOKTRMWKGZRSW-NRFANRHFSA-N 436.578 1.682 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](OCCOC)C1 1589568284 IRBRGUVWRTYYLJ-WFXMLNOXSA-N 433.553 1.623 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1595500712 CIMPBILZRYOUNX-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1595562117 NVJHNFCMKRZCHZ-KRWDZBQOSA-N 441.536 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1595799088 XDTGPZJXPUGZII-IAGOWNOFSA-N 435.554 1.554 30 10 IDEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1596321702 IFVTUSOVKWNGCP-LJQANCHMSA-N 428.456 1.947 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1596823278 RYCGSWQTXPSLOD-LQWHRVPQSA-N 434.610 1.976 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1611619144 JLNUCACQJQDXMR-WBVHZDCISA-N 431.928 1.691 30 10 IDEE CCS(=O)(=O)NCCCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1617367444 FQMJDPSSEXLAQZ-UHFFFAOYSA-N 446.581 1.324 30 10 IDEE COC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1618908767 XOKWLUMSUWCPFE-UHFFFAOYSA-N 426.525 1.435 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1619771544 YRHAJMPZRHLMLN-JOCHJYFZSA-N 428.537 1.955 30 10 IDEE CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626656423 YIJVYLSITILRFT-KHIZAZIESA-N 429.951 1.553 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H](C)C(=O)NC4CC4)CC3)n[nH]2)c1C 1629097938 RQRLBQZCJMAZKO-INIZCTEOSA-N 425.537 1.501 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1 1636089814 ZMERREWZCPQVCI-UHFFFAOYSA-N 437.481 1.923 30 10 IDEE CNC(=O)Cn1nc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc1C 1637792936 KORNJXFPQFRWBU-DBWCEAHUSA-N 430.509 1.663 30 10 IDEE C[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1640637434 ZEAMJIHEQHRNDD-HUUCEWRRSA-N 445.520 1.877 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 1643411355 JJMKURPRJVPRGB-GFCCVEGCSA-N 438.458 1.088 30 10 IDEE C=CC[C@@H](CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1648743867 YGKRVHYKWPENOU-OAHLLOKOSA-N 429.564 1.206 30 10 IDEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1651055235 SPKMDRZCSHPZHH-CVEARBPZSA-N 425.526 1.764 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](Cn3cc(CN4CCOCC4)cc(C#N)c3=O)O2)C1 1652849278 VTGRHGOKMQWODH-IBGZPJMESA-N 444.532 1.721 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 1653332127 CJHWGHRXCFRVMK-OALUTQOASA-N 433.350 1.815 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@]2(CO)C[C@H](OCC)C2(C)C)c(C#N)cn1CCOC 1660529876 ALJFWOJTDQPQNN-YCRPNKLZSA-N 436.509 1.870 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3)c2)CC1 1671158977 IPABHQYNLVQXRS-UHFFFAOYSA-N 449.554 1.136 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)C[C@H](C)O1 1679884925 FGUQLTSHLIQENY-KBPBESRZSA-N 425.486 1.201 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689988384 NYGGFFYVDCRELS-QGZVFWFLSA-N 432.550 1.425 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1689990161 MFHITRSGOJQSOO-DOTOQJQBSA-N 449.602 1.866 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690047054 KYDLRYAWFAAYDD-SFHVURJKSA-N 442.541 1.727 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690144123 MKRWSPNWIKACQN-SFHVURJKSA-N 426.565 1.816 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1690188009 CEBOCZYSHOZWKT-ROUUACIJSA-N 435.594 1.673 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS[C@@H](C)C1 1690671532 YFDIVEIFCHXHNW-INIZCTEOSA-N 442.593 1.696 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1Cc1ncn(C)n1 1692528848 LWGLOJNUCCXNSF-IBGZPJMESA-N 447.547 1.924 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1692567319 VLBQBYWODHQACT-JOCHJYFZSA-N 437.504 1.112 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C[C@H]1O 1697064872 AJZUKNLGRYEJDI-LZJOCLMNSA-N 443.529 1.045 30 10 IDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)CC1 1698491256 VSUHPRHPAXMEPT-UHFFFAOYSA-N 430.553 1.974 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705565759 JZRJPPMAHUVVQO-ZWKOTPCHSA-N 430.530 1.488 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1705633779 YMPBDGGEFZNIMN-UHFFFAOYSA-N 427.553 1.411 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCC(=O)N2)CC1 1705634822 JYTIETDHCLJVMK-DLBZAZTESA-N 426.496 1.591 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705754684 DCSYAFCHYVBXSH-CVEARBPZSA-N 447.989 1.411 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@@H](C)O[C@H](C)C1 1705843350 CTRZSFCCZVQCGR-INMHGKMJSA-N 427.571 1.437 30 10 IDEE CC(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1706064432 PTFFUDYRHGAVAK-INIZCTEOSA-N 439.568 1.770 30 10 IDEE Cc1cc([C@](C)(O)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1707046147 DAHWABQVMRNRGX-GQIGUUNPSA-N 449.533 1.027 30 10 IDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)C1=O 1711272439 PJJXDQZBPBHTRK-QFIPXVFZSA-N 434.504 1.540 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1711406406 GIVLZQGUXNLMKT-UHFFFAOYSA-N 434.504 1.767 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1722363743 VEGBGCVIQPUDSO-IBGZPJMESA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722364377 GCUPRKMPUCKPMM-SJORKVTESA-N 438.575 1.219 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1722399322 AZZUEABJIMIYEF-GOSISDBHSA-N 442.564 1.944 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NCC=C)CC1 1722433444 VOSMCEQJFCCEKG-UHFFFAOYSA-N 430.516 1.393 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1722446211 AZELCFCNFNLCRG-SFHVURJKSA-N 439.520 1.457 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1722702952 RUKLMUQIZCAVSN-ZHALLVOQSA-N 442.568 1.932 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCCC2(C)C)CCOC1 1723689191 GQLOAWRPRJLHCB-YHYVQYDKSA-N 433.553 1.989 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)CC2CC2)C1 1724014425 CFBKLDOCFRBLKK-HXUWFJFHSA-N 434.566 1.355 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1740552981 PQFZFXCBURXFKA-TZMCWYRMSA-N 425.461 1.683 30 10 IDEE C#CCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740597092 OIPXZCOWDLBJDD-IXDOHACOSA-N 446.552 1.413 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccoc2)CC1 1740710070 PYGCYEIQOAARKA-OALUTQOASA-N 427.505 1.609 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1740731877 KHDIVGHZSFTHEL-WIYYLYMNSA-N 444.561 1.241 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740941626 PEMIEIJJSSFUQC-MRXNPFEDSA-N 437.541 1.715 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740954618 PTEYNXFDEUEAJD-QGZVFWFLSA-N 428.518 1.132 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1741132133 WZZOMJLEYXKYAV-KFWWJZLASA-N 443.474 1.478 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCCCCCO 1743239868 WEJKNRLHOVJAOR-QZTJIDSGSA-N 440.552 1.711 30 10 IDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1747311646 FGULMPUVSXINDH-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C)(C#N)CC1 1747603125 RDEDJBQFABTGNZ-UHFFFAOYSA-N 447.521 1.875 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1748719373 ZHVPVXQAOGUIMM-QGZVFWFLSA-N 436.607 1.955 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1748810499 XDGWRNMVGFYFIW-KRWDZBQOSA-N 449.483 1.725 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1749354527 SLAHOSSSRGZTEO-UHFFFAOYSA-N 441.536 1.823 30 10 IDEE COCc1nocc1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1749463496 QXRXCKSRWMOHOU-HNNXBMFYSA-N 428.424 1.908 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749677062 MFXDGMSPRJTKPL-QHCPKHFHSA-N 438.532 1.787 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1749677574 DMCLULCOLDMKHU-UHFFFAOYSA-N 440.548 1.915 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749677737 JFRCZNMWSKQTLI-CQSZACIVSA-N 432.550 1.576 30 10 IDEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cnn1C 1751361244 AYKOBVMSJKINFW-UHFFFAOYSA-N 448.535 1.100 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1760189303 UCOIILVGGORCIA-KRWDZBQOSA-N 428.562 1.682 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760189376 IHPTYZLBWUIJCN-RXVVDRJESA-N 429.546 1.460 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1760201497 DXPDSOZOJMSEPW-APWZRJJASA-N 432.484 1.718 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1760226388 RPAZKGJMYBHHKC-OAQYLSRUSA-N 443.577 1.484 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)NCC(F)F 1760240490 SIENJDIPZOAHPU-UHFFFAOYSA-N 436.438 1.577 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)COC1 1760242235 WPNYJLHGNWVHKZ-KRWDZBQOSA-N 432.521 1.996 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)O)CC1 1760273418 SVXGFEQTZCJXNX-UHFFFAOYSA-N 441.532 1.602 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1760315770 ISIWSPMKMBAYEQ-NXOAAHMSSA-N 441.598 1.873 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760373959 FXJJCKDHYIZYRL-OLZOCXBDSA-N 428.902 1.202 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2cnnn2C)CC1 1760384472 YOVVQBPEOOVVCF-UHFFFAOYSA-N 442.549 1.529 30 10 IDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760441673 QDPGBMKZANXFDT-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1)C1CC1 1760476815 HNNAFKBEXZRDLP-SFHVURJKSA-N 436.582 1.028 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS(=O)(=O)CC1 1760516571 QSGUUPQOAXLGOE-QGZVFWFLSA-N 447.561 1.572 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1761292042 SQZLUSIGPMSNOY-IIBYNOLFSA-N 444.492 1.070 30 10 IDEE CC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)COC1 1761570450 MQUNHCGVGUNOBK-HZPDHXFCSA-N 448.524 1.352 30 10 IDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1766759922 KRLRHYBQZAFYRG-ROTAYESASA-N 445.545 1.493 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)C1CC1 1769819097 HPLNMFOPGSCZDF-XXBNENTESA-N 438.532 1.915 30 10 IDEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1771276283 VRTWOOOXYAKVGE-SFHVURJKSA-N 444.511 1.782 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@H]2C(=O)N2CCc3ccccc3C2)n1C 1853407604 NYGKZBPRRITYKW-NRFANRHFSA-N 437.544 1.936 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2=O)cc1 1853940187 RDNCQLIIRQQIOY-UHFFFAOYSA-N 429.473 1.831 30 10 IDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)cc1 1855220061 CTIXHMWMBPOYDC-HNNXBMFYSA-N 426.498 1.968 30 10 IDEE N#CCCN1CCC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856966268 CDEFTAXYUJULSV-INIZCTEOSA-N 430.530 1.874 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2CC)c(=O)cc1CN(CCO)CCO 1870748604 NNCVZNKHXRBPTM-UHFFFAOYSA-N 429.517 1.401 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Br)ccc1F 1874434336 ZVOAQUFMKDKIDP-KPSZGOFPSA-N 444.286 1.963 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)CC1 1891170928 JEEYJHQFCHIIBI-UHFFFAOYSA-N 442.560 1.171 30 10 IDEE C=C(Br)CS(=O)(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 2006238865 NOZYOFKPXRVOTJ-UHFFFAOYSA-N 426.377 1.804 30 10 IDEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CC(NC(=O)OC(C)(C)C)C1 2014679596 ZVURAZYNZCGNCC-YLJYHZDGSA-N 427.549 1.820 30 10 IDEE CN1C[C@H](C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)N(C(=O)OC(C)(C)C)CC1=O 2124534938 VEFIPAHREYJDKA-RBSFLKMASA-N 449.357 1.615 30 10 IDEE C[C@H](c1cc(C#CCN)cs1)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130024680 LBOLMTQBSKZILU-CQSZACIVSA-N 431.539 1.677 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243371371 CGGVMULYOUFADQ-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1 2249674505 FEFZZGRTLHLPQN-OAHLLOKOSA-N 427.361 1.919 30 10 IDEE C#CC1(N(C)C)CN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2251744124 QIECNEDAYQYFMR-XMMPIXPASA-N 426.561 1.932 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)COC1 2255538326 JNOFYXUELGZQRE-UHFFFAOYSA-N 433.314 1.404 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1 2255678636 QMBHZIJTFHEFRD-KRWDZBQOSA-N 434.342 1.910 30 10 IDEE Cn1cc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255821799 GNVCSULZOMLPRZ-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE CC(C)[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2255843050 AVUHMFZNERFXFI-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255870486 LGEYSNYDZBSLBM-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 2255874415 UPOKDPFKDLCVFV-KRWDZBQOSA-N 425.342 1.366 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2256063846 PSMYPDCCNLMORJ-QGZVFWFLSA-N 428.220 1.059 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2267099372 KCKCMNQBFQUQFH-ZNMIVQPWSA-N 448.329 1.073 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267182445 GQCOOAHYUDPBIS-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2267550654 CGBRKZGFBZLESJ-HNNXBMFYSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2267879167 FZILOXHAEACUES-CABCVRRESA-N 444.341 2.000 30 10 IDEE CCn1cc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2268991300 PJPNWGBYRHUEBO-KRWDZBQOSA-N 443.309 1.602 30 10 IDEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccccn2)cc1OC 2326183215 YORQHOKQWDEBKB-UHFFFAOYSA-N 426.502 1.935 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2327385995 FOUCHPUKAMEIQP-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 2337292748 UEZIZCHXDKBPNJ-QFIPXVFZSA-N 446.357 1.945 30 10 IDEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 44360642 FWMSHFPDCRUOPA-FZFLATATSA-N 435.527 1.364 30 10 IDEE CC(C)(C)NC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@@H]2CCCO2)CC1 46022190 OCPOOFRKCYPAGZ-IBGZPJMESA-N 445.564 1.673 30 10 IDEE N#Cc1cnc(-n2cnc(I)c2I)c(N)c1 304435972 RYMCIRZMMJKVFG-UHFFFAOYSA-N 436.982 1.930 30 10 IDEE CCCNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 438631446 RPGMWNOVVYKBQB-UHFFFAOYSA-N 428.518 1.996 30 10 IDEE COc1ccc(C)cc1C1(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)CCOCC1 444507615 MKBSKADSLLUIQR-UHFFFAOYSA-N 425.489 1.917 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447269919 DSPBFLYJVWPQPY-UHFFFAOYSA-N 428.464 1.670 30 10 IDEE CC1(C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCS1(=O)=O 464859614 OQEGXNOGWOLQBU-INIZCTEOSA-N 448.589 1.865 30 10 IDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481218720 OREKIFCZPWHLCI-CVEARBPZSA-N 434.562 1.624 30 10 IDEE CC1(C)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@]2(CCOC2)O1 483182974 UVDDFOIGIKHVMC-OFNKIYASSA-N 430.524 1.804 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1 483579888 XSYYLOUEFPEQNF-YOEHRIQHSA-N 444.517 1.419 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 515415333 LVXHSPBUZMTRBF-UHFFFAOYSA-N 434.500 1.709 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O 521464900 DLYPQKDTDLQMQH-CQSZACIVSA-N 441.419 1.559 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCCN(c4ccccc4)C3)CC2)c1C#N 521933548 AJJXGOUTZNMGHJ-LJQANCHMSA-N 449.559 1.282 30 10 IDEE N#C[C@@H]1CSCCN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 537128858 WTHHZPRYNSLJDY-CYBMUJFWSA-N 446.348 1.270 30 10 IDEE N#Cc1cccc(N2CCN(CC#CCN3CCN(c4cccc(C#N)n4)CC3)CC2)n1 582612538 VEZBPXHNQYIULJ-UHFFFAOYSA-N 426.528 1.168 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NCc2ccco2)nc1C 586304486 PHFOIZMHLSAKPW-NDEPHWFRSA-N 425.488 1.391 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)nc1C 586322840 FPPDVIXJJMXSOL-UHFFFAOYSA-N 428.430 1.566 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 609043218 FLFXHCCHTOPZJH-UHFFFAOYSA-N 426.502 1.095 30 10 IDEE C[C@@H](c1ccccc1)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727010152 OPTLWLUESNGQJY-SFHVURJKSA-N 434.496 1.737 30 10 IDEE C#CCN(CC(=O)NCc1cccc(COCc2ccco2)c1)[C@H]1CCS(=O)(=O)C1 731212472 ANTBLKSUZZMCSQ-FQEVSTJZSA-N 430.526 1.735 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@H]1CCS(=O)(=O)C1 741674547 GVSOUDXHTUAPHJ-MSOLQXFVSA-N 449.598 1.587 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C#N)o2)c1=O 743725246 KHINDAIHHSBKED-UHFFFAOYSA-N 435.461 1.415 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 748401913 CMFUETBZZYZTJX-UHFFFAOYSA-N 443.481 1.683 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(Cc2cccnn2)C1=O 766416312 OZUINKQLJSFDET-QGZVFWFLSA-N 448.499 1.954 30 10 IDEE COC(=O)[C@@]1(NC(=O)CNC(=O)c2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 771396889 IYTJJIRVDMGZAW-XMMPIXPASA-N 434.496 1.612 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 774034867 CQDVHEFIPLTCLU-IAGOWNOFSA-N 440.543 1.294 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C#N 784124852 LMQPWECWJLYCOT-QGZVFWFLSA-N 434.481 1.958 30 10 IDEE CCC(=O)N[C@H](CCSC)C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790838061 DKUZMNDUDLZCGN-CYBMUJFWSA-N 448.364 1.774 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 798070715 ZYPGEZAXOBOLSQ-CVEARBPZSA-N 432.546 1.413 30 10 IDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)n1cnc(C#N)n1 798400378 CPMIXHJUUDGFNA-VAYDFKCMSA-N 429.506 1.942 30 10 IDEE COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)CC1 799837813 ZWQCLMNGACYHON-UHFFFAOYSA-N 441.532 1.366 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(C(=O)CC#N)CC3)cn2)C1 807922585 UQYMNFCZELZFTM-KRWDZBQOSA-N 430.509 1.653 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3OC)n2N)cn1 1084476567 UZDJIWQWMAHWAL-UHFFFAOYSA-N 427.494 1.560 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 1176586180 ANXYYHKIRNIGRW-QVKFZJNVSA-N 440.525 1.557 30 10 IDEE C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1191624686 GTKPUJYZYYUEPN-MRXNPFEDSA-N 449.554 1.961 30 10 IDEE C#CCNC(=O)C1CCN(C[C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)CC1 1205510110 USXJTSQDWKKZEJ-SFHVURJKSA-N 431.581 1.873 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)CCc3cccc(C#N)c3)C2)cc1 1248532034 VOKXMMMHRYKICF-UHFFFAOYSA-N 428.514 1.824 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(CC#N)c3ccccn3)ccc2F)CC1 1277788018 PDFWXOKHASVMRT-UHFFFAOYSA-N 445.476 1.244 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1286421386 XPOKGMSXSICPGW-GOEBONIOSA-N 434.591 1.920 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1286430005 FMMXLUIVXUPTNF-DEOSSOPVSA-N 446.559 1.393 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2ccc3c(c2)C(=O)NCC3)n1 1286471115 ITKPMLARHHGSBH-UHFFFAOYSA-N 447.543 1.657 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(F)ccc2C1 1286823483 OJBKELXPYVGNEO-UHFFFAOYSA-N 447.536 1.703 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1287418557 CBFVIYAPQIVDQP-KXBFYZLASA-N 436.306 1.761 30 10 IDEE CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1289043784 FYRXKOAFYOMKLO-UHFFFAOYSA-N 428.562 1.496 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nnc(O)n3C2)c1 1291721397 KHKIQUCKSGZIPB-VAYDFKCMSA-N 446.533 1.778 30 10 IDEE CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1296159635 NMKWBZLVSQHGOL-OOADYSHXSA-N 443.552 1.229 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)C 1297653171 GYTCHUNKHQNTBS-INIZCTEOSA-N 446.577 1.848 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1298681706 QUWVFGOMDXRXGA-UHFFFAOYSA-N 433.520 1.736 30 10 IDEE C#CC[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1)C(=O)OC 1299179312 XFHYOANBZCXZDZ-CLOONOSVSA-N 445.475 1.847 30 10 IDEE CCOC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 1299448283 PWKWCFPGRWVRGU-KDOFPFPSSA-N 430.486 1.431 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1300535875 PRGKEMQVZYOTEF-QGZVFWFLSA-N 449.577 1.510 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1300630347 BLCMHJGGHYUUET-JLHGSKIFSA-N 449.552 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300712156 NNCMEFAXKCFXFF-HXUWFJFHSA-N 444.624 1.898 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1301424575 MNWYSJBBVACZOX-GHTZIAJQSA-N 437.610 1.629 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2CCCO2)CC1 1301477550 BTLJNBJBSMGUPM-QGZVFWFLSA-N 439.520 1.623 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301492936 RSULAHXOGLXTQD-OAHLLOKOSA-N 440.504 1.076 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1301587103 MGFHKNXQOOYHQJ-WMZOPIPTSA-N 435.550 1.105 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCOC(F)F)cc1 1302993561 DTAJTGNKOVDEIO-HNNXBMFYSA-N 447.446 1.572 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)CCO1 1303003558 IHBXXLSJYVYCOT-CQSZACIVSA-N 439.426 1.418 30 10 IDEE C#CC1(O)CN(C(=O)c2cccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)c2)C1 1304596574 SCPCHJGLQMDUDE-KRWDZBQOSA-N 440.525 1.319 30 10 IDEE C[C@@H]1CCCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1305014166 DXNMHWMVLQWOKD-KZNAEPCWSA-N 436.582 1.173 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1305146966 ATTXIMQUSLEIGL-UMIVRTMYSA-N 447.499 1.958 30 10 IDEE CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1306639987 MNVDHNHHDURQGX-MRXNPFEDSA-N 425.541 1.983 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 1307649896 LPQXYBZHFULONJ-UHFFFAOYSA-N 442.541 1.893 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1313997616 YOYNEVMWFLFIOC-RBUKOAKNSA-N 439.520 1.208 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCc1ccco1 1314739905 JGLDVCKBWPOURB-UHFFFAOYSA-N 447.499 1.932 30 10 IDEE C[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cc(F)ccc1N1CCC(O)CC1 1332014364 CPRLWTAHVIVWCF-CTBAPTLKSA-N 430.480 1.881 30 10 IDEE C=C(C)Cn1c(C2CCCCC2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 1343468537 CWHARNHHURWOJZ-UHFFFAOYSA-N 438.598 1.601 30 10 IDEE C=C(C)Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359125262 WBQRQPXHCGWADM-HXUWFJFHSA-N 441.598 1.755 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4n(c3C#N)CCOC4)CC2)cc1C 1463334092 HQYNKNKJQYNVJN-UHFFFAOYSA-N 443.529 1.941 30 10 IDEE C=C[C@@H](O)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1463617488 IEPXLEJFHUTZFD-GOSISDBHSA-N 447.513 1.818 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1464029491 SCOUZSBNDJZCKI-OAHLLOKOSA-N 432.539 1.229 30 10 IDEE C#CCN(CC#C)C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1465339465 LJIQDPKXKXZRPJ-QFIPXVFZSA-N 429.476 1.864 30 10 IDEE C[C@@H](CC(=O)NCCc1cnc2c(Cl)cnn2c1)/N=C1/NS(=O)(=O)c2ccccc21 1468533397 DBKSCCUIWVOCDK-LBPRGKRZSA-N 446.920 1.559 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C2CCC2)C1 1469907789 ZFJUDMREQUKKIX-UHFFFAOYSA-N 448.545 1.837 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1470347656 QTSJWSQXALVSJW-VAWYXSNFSA-N 441.553 1.857 30 10 IDEE COC(=O)c1ncoc1CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1471481289 UKCQNYINPHGZAI-CYBMUJFWSA-N 434.474 1.231 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N(CCC#N)CCCN(C)C)N2C(=O)OC(C)(C)C 1472522947 JTLREZMCFIHFDG-XLAORIBOSA-N 436.553 1.867 30 10 IDEE C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)[C@H]1C[C@H]2CC[C@H]1C2 1473069295 NGYFBDVKTBLMQL-QBYUYEEZSA-N 430.505 1.164 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 1473615577 FCLCTDJVRZRCHJ-XLIONFOSSA-N 426.517 1.739 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1478283910 CBVGIZHKUVOPGZ-OLZOCXBDSA-N 443.488 1.932 30 10 IDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCCN1CCCO 1492901200 GZLSRWOCRILOSA-GOSISDBHSA-N 427.528 1.771 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1499881602 SOMXXLVZYFGREZ-IBGZPJMESA-N 448.535 1.779 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1502714685 PFEZUIQBKZCNHI-BTYIYWSLSA-N 428.493 1.500 30 10 IDEE COC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CCO1 1504711637 HUVUMQHRGRBNFH-NQIIRXRSSA-N 431.493 1.683 30 10 IDEE COCCOCCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1505043899 NIRUHYZCGREOET-KRWDZBQOSA-N 428.541 1.831 30 10 IDEE C#CCCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1507600226 XGPLDANZIDTLRD-FQEVSTJZSA-N 439.582 1.204 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507631575 QSZOVTLTGUMGCG-HZPDHXFCSA-N 432.575 1.648 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)OC 1507645259 WMLQLRLIOJFUGK-UHFFFAOYSA-N 429.546 1.693 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC 1507699549 IHZCBWCSIYNBHD-UHFFFAOYSA-N 447.536 1.728 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1507707878 ABFKLXQNGDKIFT-UHFFFAOYSA-N 442.545 1.260 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2c[nH]nc2C)CC1 1507738818 ZPEWVCQGKBALRS-UHFFFAOYSA-N 433.520 1.365 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1507746956 DDOWNTMYSNYMLP-QAPCUYQASA-N 434.587 1.922 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1507778800 HFUMVSOJPPDPLJ-CYBMUJFWSA-N 448.387 1.946 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)OC)C1 1507789645 GVQRIURBAUSLKL-ZDUSSCGKSA-N 426.315 1.699 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1507865639 GCGSPKPRWWTYSC-CYBMUJFWSA-N 427.896 1.646 30 10 IDEE C=CCn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1508066746 FAZWENMOQHLJBC-REWPJTCUSA-N 427.549 1.972 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1508388872 GLOHKEHSRHMZQL-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508465402 BOXFSBWLELVGJT-AWEZNQCLSA-N 439.520 1.479 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1519048521 FKYZBBDFXSPSOV-OALUTQOASA-N 440.504 1.899 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1519447296 CVMBNMFWVDUPMF-OKYOBFRVSA-N 435.525 1.174 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)Cc1ccc(C#N)nc1 1524981879 DNBIHPVTMUUSEB-UHFFFAOYSA-N 429.502 1.079 30 10 IDEE CS(=O)(=O)N(c1ccc(OCCNC(=O)c2csc(C#N)c2)cc1)S(C)(=O)=O 1527159336 ZHQWPOWTUSFLRC-UHFFFAOYSA-N 443.528 1.154 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1539459832 PNYFYJRCVTZUCB-UHFFFAOYSA-N 447.609 1.108 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCOC2)CC1 1539483059 RLQXJRIQEWHJEU-HSZRJFAPSA-N 441.507 1.125 30 10 IDEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539779296 TXDTZNPWZQKPGS-IRXDYDNUSA-N 428.924 1.720 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1540169484 FBEAQWBALQTHMW-INIZCTEOSA-N 425.555 1.095 30 10 IDEE COc1cc(N)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1S(C)(=O)=O 1540370827 HKZQPZVXNSUURY-UHFFFAOYSA-N 428.514 1.511 30 10 IDEE Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CCO2)n1 1543082146 GGZLSSIXZDVYHL-FQEVSTJZSA-N 448.531 1.624 30 10 IDEE CCS(=O)(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1543195141 CSQWBJMAPFPIIT-LQFHHUIYSA-N 444.579 1.546 30 10 IDEE Cc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543299347 RFUXJLULUWGISC-VXPUYCOJSA-N 435.488 1.075 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)cc1 1554897088 ICOZGKPFRBFKLD-OAQYLSRUSA-N 440.548 1.523 30 10 IDEE C#CCN(C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)[C@H]1CCCc2ccccc21 1558541949 FXNKMTWNNUCYEY-SFHVURJKSA-N 439.493 1.781 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)O1 1564546871 BFWCGMCWNGXWPV-JSXRDJHFSA-N 442.516 1.658 30 10 IDEE C#CCN(C(=O)N[C@@H]1COc2cccc(Br)c2C1)[C@@H]1CCS(=O)(=O)C1 1565259057 PWCYSZBLPRWDCL-QWHCGFSZSA-N 427.320 1.585 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)c2C#N)C1 1586959008 YYDMLRWKRUCOLK-OAHLLOKOSA-N 436.493 1.982 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1587067975 FCOFVSKEVNICGL-AWEZNQCLSA-N 434.497 1.473 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1587555031 CIKBEFZGVLOAMX-QVKFZJNVSA-N 430.940 1.386 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587904226 BKSUZJBBFDIRQZ-QGZVFWFLSA-N 446.515 1.663 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1588138760 IRZKBOMGDLYSKW-MOPGFXCFSA-N 425.558 1.990 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CC1 1588811405 ILAMLGROPLIMEE-LJQANCHMSA-N 448.637 1.200 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589394408 FJJUZXNIRDZJRJ-NEPJUHHUSA-N 434.360 1.397 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCS(=O)(=O)CC2)cc1 1595613511 FTTIKNUVCSDAMC-UHFFFAOYSA-N 428.518 1.527 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(O)cc2C1 1595761070 XERVLXGLAFXAGF-UHFFFAOYSA-N 433.534 1.285 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 1595971935 FFZUEDLKHOLLGZ-GOSISDBHSA-N 428.514 1.034 30 10 IDEE CCN1CCN(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2F)CC1 1596011203 WVDFZMDLJNUWTB-UHFFFAOYSA-N 445.520 1.645 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1603306229 XHJQJSFSEZDRPM-YJBOKZPZSA-N 429.498 1.516 30 10 IDEE CCOc1ccc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1F 1611164678 GNPHKWXXXVOHAS-QFYYESIMSA-N 431.283 1.997 30 10 IDEE CCc1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1613904992 DQSACYOTPGDQRX-ACJLOTCBSA-N 435.579 1.772 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(Cl)nc1 1618309622 NCRJEYPEWCVSEO-UHFFFAOYSA-N 445.936 1.899 30 10 IDEE C=CCC[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1627752457 PJYPZPSZBPCHOP-HUUCEWRRSA-N 432.539 1.425 30 10 IDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1OC 1627799915 CAPOOXQTALCIHR-AUSIDOKSSA-N 430.549 1.833 30 10 IDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1629159029 NKDCAJDSZZROFF-ZVDOUQERSA-N 449.573 1.641 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1633792650 KEQQKBLVTMGSOF-MSOLQXFVSA-N 428.489 1.366 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1636586020 FTSLWHSWUJPZHO-QUCCMNQESA-N 429.521 1.271 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 1636805182 ARMLDTMWTDGPBK-QYZOEREBSA-N 436.597 1.987 30 10 IDEE Cc1ccc(C(=O)Nc2cn3cc(Br)ncc3n2)cc1S(=O)(=O)NCC#N 1639156440 RBPTZWYYTUVBSA-UHFFFAOYSA-N 449.290 1.854 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1)c1cc[nH]n1 1640092028 JWBYAGKYQFGYQK-RBUKOAKNSA-N 428.489 1.678 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1641456559 OOEMUVGWFOAPQE-SFHVURJKSA-N 431.470 1.397 30 10 IDEE COC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1644448792 LSYKOCDKIORNIP-AABGKKOBSA-N 432.496 1.235 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(O)(CN1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2 1648415414 IRGARASIGCUBRJ-FPXQBCRKSA-N 425.551 1.150 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C)c1ccc(Br)cc1 1662182006 SPQPUFDCUWXDIH-CQSZACIVSA-N 449.286 1.449 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2c[nH]nc2-c2ccc(Br)s2)CC1 1665528546 GAHLWBWKFXGNCM-UHFFFAOYSA-N 444.380 1.486 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)C2CCOCC2)cc1 1667957157 VZJRHRZDZUBDIM-UHFFFAOYSA-N 445.563 1.208 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1670885723 AKYUTGKZVUBZJW-ZDUSSCGKSA-N 425.935 1.448 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H](C)N3CCN(C)CC3)c(C#N)c2N)cc1 1676864486 DSFPSUQZURHESW-GOSISDBHSA-N 438.580 1.502 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2=O)cc1 1681300530 HFCHIBFZOYZDID-PTUXOGIPSA-N 426.517 1.610 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)n1 1685128134 MBQQGCGBSQSSQT-QFIPXVFZSA-N 449.552 1.700 30 10 IDEE N#Cc1ncn(CCNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1686407277 HHONREJAJRQVJU-YUMQZZPRSA-N 432.275 1.962 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1689851639 TWESMKHSYCEYLL-XLIONFOSSA-N 441.601 1.737 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689988171 KNXDYXQAAFGMKA-LAQRGFTBSA-N 449.577 1.060 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1690040537 FVBYBTNIAUFAJQ-UHFFFAOYSA-N 442.479 1.721 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1690063527 GTSQRIIPWZQJEN-UHFFFAOYSA-N 431.518 1.650 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1690298495 ZPTATDPOAACDEC-VQIMIIECSA-N 427.571 1.272 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1690615404 CSRQNQMDEUBUSB-MRXNPFEDSA-N 448.545 1.790 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690676974 JTIOXGWNJWOFPW-UHFFFAOYSA-N 429.481 1.352 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1 1690680353 PQFLBLZDJHCPRR-GBESFXJTSA-N 427.505 1.692 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690740279 PDOXQQBRCVAUGW-SFHVURJKSA-N 444.609 1.341 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1697922037 DNXIVTNODTYTQF-QFIPXVFZSA-N 426.521 1.663 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1C 1705580500 KPFYYEUWNGXYQM-MSOLQXFVSA-N 440.573 1.984 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1705625987 DUWSGSCCMWREKH-UHFFFAOYSA-N 440.548 1.204 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCN(C(C)C)CC2)CC1 1705638671 SCNKQYMBRCWIMC-UHFFFAOYSA-N 437.592 1.639 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1705832653 DMYFUBMGRVHHCA-RTWAWAEBSA-N 435.525 1.554 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1)C1CC1 1705849720 UITRTRLYUBKFAF-AWEZNQCLSA-N 440.570 1.522 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1705906078 RKEYOZMIVNPKDC-QGZVFWFLSA-N 441.536 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCC2)CC1 1705937185 LRXWEXJIXYUFGR-UHFFFAOYSA-N 430.578 1.539 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CCO1 1706689061 IFEYTQXVVYEDTG-IBGZPJMESA-N 426.521 1.925 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)C1 1706938953 XSRQNALZUXCANK-JPYJTQIMSA-N 438.532 1.962 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1711350878 JVAJELFVGNOLQL-ZBJSNUHESA-N 449.515 1.434 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCCC2=O)CCO1 1712882429 BQOIFYGPVWYSOZ-KRWDZBQOSA-N 429.525 1.036 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722333649 NIUCZZXYDRTEIC-TYPHKJRUSA-N 428.581 1.574 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722361122 LDRXDNXOPPTJKC-KGLIPLIRSA-N 425.461 1.324 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCO[C@H]1C 1722427162 QDRZBEOUCYTNRY-BPXKWBHBSA-N 428.489 1.417 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1722430164 ZJGROECTGLWFQP-SFHVURJKSA-N 440.523 1.876 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(=O)NC)c2)CC1 1722438875 FXTCATJDDCEVDS-UHFFFAOYSA-N 443.555 1.621 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722447105 FAIXAODSZFZHLD-DLBZAZTESA-N 437.491 1.910 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722627030 IRRIMWIXWBYBRN-GOSISDBHSA-N 445.568 1.548 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1730900470 LYGXYHRDURXCKK-SFHVURJKSA-N 445.545 1.636 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740627661 RSOBAPMWYRZHFQ-GOSISDBHSA-N 429.546 1.251 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCCn1cc(CO)nn1 1740634639 CNWOBJHZWWBYHL-UHFFFAOYSA-N 427.871 1.985 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740900227 WMGZGHXPDNXBHD-IAGOWNOFSA-N 429.546 1.856 30 10 IDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1741004372 YUKODCUTRALSCQ-UHFFFAOYSA-N 440.577 1.897 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741115668 BLFSBRVURXVQRJ-IBGZPJMESA-N 438.536 1.292 30 10 IDEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1741149727 ZSYJFOQMIXVPCY-YOEHRIQHSA-N 439.520 1.873 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)c1 1742357370 HAKHLTJDVYSLLU-NRFANRHFSA-N 438.467 1.761 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1747858939 GAMHUDOYWBIZLV-MBOBHEEDSA-N 447.499 1.816 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1748639117 BWYQCLJAMXNQAY-GVDBMIGSSA-N 430.578 1.797 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1748717602 DIDXGGADLDXGEY-IRXDYDNUSA-N 433.578 1.479 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1748816019 VQXRTABXPISZCZ-IRXDYDNUSA-N 437.566 1.063 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1748867157 AZRMEHDCZIZHPU-JTAQYXEDSA-N 430.549 1.833 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1749067148 PYHXDQHKHILCBD-RDTXWAMCSA-N 436.563 1.108 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749127339 KUTMZVRTAYYSFT-JKBKZWBZSA-N 446.596 1.757 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CC(N)=O)C1 1749227028 YAQSSNVCHXCRNK-OAHLLOKOSA-N 430.509 1.690 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)nc1 1749586570 ZWHYAOXWWOOJHA-UHFFFAOYSA-N 449.515 1.884 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749660028 MLSYQBQHZXKNIE-HSZRJFAPSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749666479 MHFKOIZMUQPUJY-SFHVURJKSA-N 440.548 1.973 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1750008497 OOCCHKXLAFVFLK-QYZOEREBSA-N 436.557 1.088 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)CC)c1 1760098382 RTYLQUUQUAZWKQ-IAGOWNOFSA-N 432.594 1.846 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760185992 ILVQXLVZAIJCPF-OLRZCDJHSA-N 440.635 1.795 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1760187948 MGIJZNFSCRBPRQ-DLBZAZTESA-N 449.602 1.725 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1760204372 NGPIQQQNPGLNMQ-UHFFFAOYSA-N 426.542 1.190 30 10 IDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1760221545 AVSYWSURQKQQQH-LJQANCHMSA-N 426.542 1.797 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1760263964 WISJSKYUHUICHE-UHFFFAOYSA-N 434.548 1.816 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1760289731 SFGBRFLXWIRZFO-OXFYSEKESA-N 436.582 1.139 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1760290692 NGKMGQKULQCALT-DUXKGJEZSA-N 436.578 1.890 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760444278 BZRZRDDILQKGMJ-JOCHJYFZSA-N 448.568 1.471 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760448686 MHIYWTZTSBMVFE-HXUWFJFHSA-N 439.564 1.676 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(C)=O)C1 1760519505 GRLYXBBLPJEGDS-QGZVFWFLSA-N 440.504 1.123 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCOCC2)C1 1760545854 CRXCEODAZNYQNL-LJQANCHMSA-N 426.521 1.294 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1761448334 ZDEFLSFNHJINBG-LPHOPBHVSA-N 447.561 1.882 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@](C)(O)c3ccsc3)CC2)c1C#N 1762399737 ALADHRJGGMBFIC-HXUWFJFHSA-N 426.550 1.796 30 10 IDEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1765845327 PSHUTVXPAGSPFS-SFHVURJKSA-N 448.535 1.521 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1766583734 LZGBLYWUFCQVNK-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1COCCO1 1767445445 QNIDBWOEKNADCT-SUMWQHHRSA-N 439.289 1.903 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1768798258 JNUSUFYLQIXKAX-JFWRZSAESA-N 444.536 1.909 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1771276659 HPMWGCSWLMICFO-JOCHJYFZSA-N 443.504 1.387 30 10 IDEE N#C[C@@H]1CCCN1C(=O)CN[C@@]12C[C@@H]3C[C@@H](C[C@@](OCC(=O)N4CCC[C@H]4C#N)(C3)C1)C2 1848439846 QMYNMOXNAPYOLO-DQGAVEFZSA-N 439.560 1.713 30 10 IDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1857242849 QHTLPWVJDABPKQ-RTBURBONSA-N 437.606 1.854 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@H]2CCCOC2)CC1 1857255388 QFNRVHMINWISBG-KRWDZBQOSA-N 431.514 1.843 30 10 IDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562415 BQVVLUCTFMZFCK-UHFFFAOYSA-N 448.531 1.331 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124522373 SCDUPNRODNTDQO-QAPCUYQASA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2136337102 AZQZKXKSODLNQF-BBWFWOEESA-N 448.325 1.265 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C(=O)O)C1 2224075135 YGEPVEXQROYRAE-OAHLLOKOSA-N 433.314 1.891 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255673868 UHKZBCKJNSWECC-ZIAGYGMSSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255695704 JKOUQFLMYSOXBE-SCAQPMJSSA-N 429.326 1.976 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255820954 BXFZFPDYZVKIGJ-GJZGRUSLSA-N 436.314 1.909 30 10 IDEE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255934238 ZMJPFKXLOWUNCE-UHFFFAOYSA-N 448.398 1.472 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1 2255942235 MYBKOZQDUMHVHZ-KRWDZBQOSA-N 446.382 1.272 30 10 IDEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256620634 KSAZGMXHFAXCFN-QGZVFWFLSA-N 434.342 1.830 30 10 IDEE CO[C@@](C)(CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2267119249 TUKIWWWTTGMFMU-QFIPXVFZSA-N 444.341 1.466 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267179655 SUEMRLYDNODHQF-QLFBSQMISA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267266619 QSAREQWMHUFYJF-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2267524748 UYSBHHJYRXJING-UHFFFAOYSA-N 449.361 1.400 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267595150 COKSWAHVIAXUCT-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2267598308 YFZIZYBLDZKNOI-ROUUACIJSA-N 437.353 1.461 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)c(O)c1 2330748373 CNWHOQJYTRZFQP-UHFFFAOYSA-N 447.502 1.395 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2332884538 MSXCKVGTVIWOKR-HZSPNIEDSA-N 426.267 1.600 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2[nH]c(=N)ccc2Br)CCN1Cc1ccccc1 2342441942 SAVBJTXHBDYBTI-CQSZACIVSA-N 436.335 1.655 30 10 IDEE CN(CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)S(=O)(=O)c1ccc(F)cc1 436368040 IPKDTBVSXUYQPM-UHFFFAOYSA-N 443.464 1.720 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccnn2C)cc1 440198149 NYWGJMYJDPTXFN-LJQANCHMSA-N 445.545 1.919 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)CC1 463372149 XEAGCFBCYGIDBU-INIZCTEOSA-N 428.562 1.354 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc(C(F)(F)F)n1 489109810 ZECCKMCLBURDOC-LBPRGKRZSA-N 426.420 1.998 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 497581051 SARJBVLKZNARSI-INIZCTEOSA-N 438.534 1.687 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOc2ccccc2F)CC1 503692310 LLLZJJNONACHGL-UHFFFAOYSA-N 432.477 1.792 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 508498126 POQBJRHIOMSADK-MRXNPFEDSA-N 431.566 1.838 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 535896500 REOVILLCVSBABC-QGZVFWFLSA-N 447.507 1.786 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1-c1ccc(F)cc1 541077145 MGIWYPJSPAUPIO-UHFFFAOYSA-N 430.442 1.257 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(c2ccnc(C)n2)CC1 545396895 ANOSLTZQYJYPKS-UHFFFAOYSA-N 425.537 1.872 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)n1 546925757 LDJZJURQYAPYHN-UHFFFAOYSA-N 434.500 1.457 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccco1 577326876 PZJCVSMGCKNAEQ-INIZCTEOSA-N 425.511 1.043 30 10 IDEE CCOc1cc(C(=O)N[C@@H]2CCN[C@H](C(=O)/C=C/C(=O)O)C2)cc(OCC)c1OCC 585830124 LQOCIIVMWITOOL-KJMJWJSPSA-N 434.489 1.943 30 10 IDEE CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c2cccs2)CC1 586858998 OKGFLLQOKYCDFG-SFHVURJKSA-N 429.521 1.480 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 609739204 HOLSBZPLMIVHBO-INIZCTEOSA-N 429.517 1.564 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 742174710 IFAHGJZLPYFIFV-GOSISDBHSA-N 433.921 1.208 30 10 IDEE CC(C)(C)OC(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 742810074 CBBVUDICBLRMOZ-UHFFFAOYSA-N 429.498 1.997 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](C#N)C1 758779644 XDZXJPIQLSFQOG-IAGOWNOFSA-N 425.493 1.544 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc2ccccc2)C1=O 771581976 ICRHOHUYEXEUCO-MZNJEOGPSA-N 448.479 1.796 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ncccc2S(C)(=O)=O)ccc1F 785483814 CXHSNJMTSWOJGB-UHFFFAOYSA-N 427.479 1.019 30 10 IDEE N#C[C@@]1(F)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)C1 786272403 YIUOWFKIJZPDJB-INIZCTEOSA-N 446.298 1.548 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CN3CCOCC3)cc2)n1 788852862 ZPHHBKBDFOCFPQ-UHFFFAOYSA-N 425.533 1.707 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)n1 790105790 ZKJVBKLWTNSTBU-HXOBKFHXSA-N 443.548 1.628 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCCOC3)C2)cc1 806219345 HPFYWTYWZIBXOT-XLIXHQMESA-N 436.534 1.913 30 10 IDEE NS(=O)(=O)c1ccc(C=NNC(=S)NCCc2ccccn2)cc1Br 807968179 QCNUEUHOIDMFBT-UHFFFAOYSA-N 442.364 1.532 30 10 IDEE C=CCN1CC[C@H](OC(=O)[C@@H]2[C@@H]3[C@H]4C=C[C@@H]([C@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]45)[C@@H]23)C1=O 811362725 FORSBYNFXGBBNI-RFWNCFTCSA-N 446.503 1.796 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812308510 QAZYKXJSJCFBGV-SJORKVTESA-N 444.513 1.480 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCCN2CCc3ccccc32)c1 918956504 IOLFWHKXEVRMLN-UHFFFAOYSA-N 443.525 1.487 30 10 IDEE CC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccn1 1084563441 ZKVAGLCLSRMHJL-UHFFFAOYSA-N 446.518 1.414 30 10 IDEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccccn2)n1N 1084653915 PZXPJNIXTMKSSV-UHFFFAOYSA-N 428.526 1.958 30 10 IDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CCOCC1 1124153888 VEILZMOKHXSASD-UHFFFAOYSA-N 436.559 1.897 30 10 IDEE CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCO[C@@](C)(C#N)C1)n2CC(C)C 1134267856 LIIRFPNCKHVCAG-QFIPXVFZSA-N 444.536 1.828 30 10 IDEE CC(C)n1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1I 1137592055 WJIICQILZVCORV-UHFFFAOYSA-N 441.277 1.950 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(S(N)(=O)=O)CC2)c1 1141878369 VDWPNJOIUKNTOW-HMMYKYKNSA-N 428.536 1.039 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)ccc2F)CC1 1171050629 GQNGGHMQQBUWQW-FUHWJXTLSA-N 436.509 1.443 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1222101725 JOIQVSFDZYERGJ-SJORKVTESA-N 439.534 1.500 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N[C@H](CO)c2ccccc2I)C1 1255363663 MREWEAWNNIFHDT-XJKSGUPXSA-N 427.286 1.721 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[S@](=O)CC)CC1 1286491332 NIKNFVVXOGIZKL-WJOKGBTCSA-N 445.564 1.742 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286503223 CBEVYBUVWOHNRS-IBGZPJMESA-N 440.621 1.706 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)CC1 1286551886 NVSSAPCBTWRFRZ-AEFFLSMTSA-N 435.550 1.909 30 10 IDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1286645009 QJUJCFUCOXJBFF-LJQANCHMSA-N 426.569 1.778 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286704033 XBXQFEUVVSWPGA-UHFFFAOYSA-N 426.525 1.627 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCN(C(C)C)CC1 1286720697 VEOZQTYTUKSXOP-UHFFFAOYSA-N 437.552 1.778 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286791040 SAHCGGADMXOVDI-QHCPKHFHSA-N 438.532 1.493 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N2CCOCC2)C1 1286802413 AXYSFGVNYJVTID-HXUWFJFHSA-N 441.532 1.984 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1286821523 ODKIYXFKJNCXFH-MRXNPFEDSA-N 436.509 1.608 30 10 IDEE C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1291175071 ZWTQACKNLJTCAN-XOVGQFALSA-N 441.536 1.409 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1292065846 MZCUNVQWARNERW-UHFFFAOYSA-N 448.549 1.723 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1294841297 AMRXTOOOCZPCGF-QGZVFWFLSA-N 430.534 1.356 30 10 IDEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1298022003 XVFSJKNBKAONGP-LJQANCHMSA-N 433.530 1.973 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(OC)C2CC2)CC1 1300725458 HMQDEHDMFYIAEL-JPYJTQIMSA-N 429.565 1.953 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1300990231 CVZLPCAWIJKKOT-DLBZAZTESA-N 429.525 1.972 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1301861939 BJOUANVYBSCQGD-UZLBHIALSA-N 432.525 1.867 30 10 IDEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301925973 XQYDQTMENQRKOT-UHFFFAOYSA-N 445.531 1.455 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Br)cc2C)CC1 1312003712 KBAIDNWMIVQOSU-UHFFFAOYSA-N 429.340 1.052 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1314554983 QZVXZBXMLHZEPH-IBGZPJMESA-N 443.577 1.431 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1358890853 WIQCGHBCXUWUED-NVXWUHKLSA-N 432.546 1.898 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1358967241 GMKSWZMHMSLHIS-UHFFFAOYSA-N 446.555 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1358992016 WRYPXFPSEWTZMB-UHFFFAOYSA-N 441.539 1.917 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1359000188 OKVOZGDXIFLLDN-UHFFFAOYSA-N 427.900 1.398 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1359028963 KYKGSPNQQMUBNT-UHFFFAOYSA-N 432.569 1.625 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCNC(=O)C(C)C)CC1 1359030652 ARCMMYZXPXMETC-QHCPKHFHSA-N 446.596 1.236 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)CCOC)CC1 1359039099 WXYAYGNRKGGRLB-QFIPXVFZSA-N 431.512 1.539 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCn2ccnc2C)CC1 1359044623 KILUMUJTUWUPIX-LJQANCHMSA-N 425.537 1.691 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1359121785 IWLQJFBSIPHYMB-QGZVFWFLSA-N 435.554 1.090 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359203189 KCEGMYMGMYLVNN-SFHVURJKSA-N 435.594 1.985 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359216592 YQXYXQGRELNTQH-INIZCTEOSA-N 433.534 1.702 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1359240434 OGBQBVHWOUPSRI-SFHVURJKSA-N 442.545 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCCO1 1359293184 JSRDFDXPNBRZHB-CQSZACIVSA-N 437.342 1.964 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCCC2=O)C1 1359321074 ZQFQNFDDGLPVNG-ROUUACIJSA-N 430.553 1.803 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)O1 1460819807 MHMWLUSSHROUMS-MTQWCTHYSA-N 448.589 1.352 30 10 IDEE C=CCCOCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1469634430 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1.944 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1530701436 OCGFWNHFIQLYEX-UHFFFAOYSA-N 434.924 1.956 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1538974965 VSWYJHLJKRPICH-KGLIPLIRSA-N 436.607 1.924 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539224843 IYXCTZMOHDLUNJ-VQTJNVASSA-N 443.573 1.850 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539375818 IRSLJCSPTDVQFK-WOJBJXKFSA-N 442.589 1.928 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1539430784 OEDNNRVJRCTFQG-JTAQYXEDSA-N 431.581 1.747 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539527280 ZPRPRIUEUFVWJH-GOSISDBHSA-N 434.610 1.314 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)CC2)nnc1[C@]1(OCC)CCOC1 1539643522 WSPRBWWQSJGFAN-QTEQDKRBSA-N 449.596 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540863934 KBLYKGVYNAETND-ZDUSSCGKSA-N 447.337 1.677 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCCCC2)CC1 1540877338 RKALIPGEOKABLF-RXVVDRJESA-N 446.596 1.759 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2NC(=O)CC2(C)C)C1 1540896248 JCNMBUXTVFAHAY-FAJBIJEISA-N 433.553 1.698 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CN2CCOCC2)CC1 1546099233 ZXNRIRKCCNZGGB-MRXNPFEDSA-N 431.961 1.708 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1546841017 ABEFRFMJKPQFTE-JOCHJYFZSA-N 433.520 1.879 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1546856028 FKCSDNPLGLMFKF-WBVHZDCISA-N 440.504 1.955 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@](C)(C#N)C1 1552378282 BRXCNCVSSADTMD-HXUWFJFHSA-N 427.534 1.886 30 10 IDEE CO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)C(F)(F)F 1554617276 DSBHMNMIZCCGLQ-GRYCIOLGSA-N 426.465 1.594 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1555191419 GWGWOXLZJMOZKE-ROUUACIJSA-N 431.518 1.103 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)OC(C)(C)C)CCOCC1 1557651285 KDWOLITWEHCEPP-CQSZACIVSA-N 437.518 1.232 30 10 IDEE N#Cc1cn(CCC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(=O)nc1O 1557988745 KJIAEZNRLJBFHP-LBPRGKRZSA-N 449.389 1.410 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)c1 1559367560 OFKAJDRSWXSTCL-UHFFFAOYSA-N 442.453 1.174 30 10 IDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1 1559932232 CHQPMWAUKGCKMU-QGZVFWFLSA-N 431.512 1.967 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)C1 1566199524 QBGWVXHVUGXQRZ-INIZCTEOSA-N 435.322 1.544 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NOc1cccc(C#N)c1 1587208874 RGMLEXKZIWVRBK-USXIJHARSA-N 435.502 1.638 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@]1(N2CCOCC2)CCSC1 1587651793 RBIOKDNASLRJOT-PGRDOPGGSA-N 426.590 1.930 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1587861265 IYMVBIZZBOZNCG-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(C)(F)F)CC1 1588806449 QYHJBGYUZARJAA-UHFFFAOYSA-N 441.486 1.993 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@@H]2OC)CC1 1588962303 ZBNMPUSXVMEHCY-MOPGFXCFSA-N 442.564 1.181 30 10 IDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 1589110755 ZCIOVBAXYOEELR-LJQANCHMSA-N 438.557 1.599 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1593769165 LUUGKWQLYUPTJP-XMSQKQJNSA-N 433.553 1.722 30 10 IDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594793051 FQCCTBRGIXRFHK-IBGZPJMESA-N 449.515 1.882 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(NC(=O)OC(C)(C)C)COC1 1594949061 QLSZUYAVJJXJKB-UHFFFAOYSA-N 446.508 1.922 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595405082 BJNXZXPREJSIEM-IKGGRYGDSA-N 446.552 1.735 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595577184 KWNOUVWEKWFLGF-SJORKVTESA-N 427.461 1.582 30 10 IDEE 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IDEE Cn1cc(C(=O)c2cccc3ccccc23)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641033777 HOGBBPJKIMJKMY-UHFFFAOYSA-N 441.447 1.973 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c1 1642414023 HOHUZTPAZLOSCG-KRWDZBQOSA-N 436.530 1.849 30 10 IDEE C=CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 1645061223 KQOXFOGRMJNTPA-UHFFFAOYSA-N 449.573 1.541 30 10 IDEE COC(=O)[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(C(F)(F)F)cc1 1646162861 MBXSUNALBHMGGX-DZHJMQLISA-N 425.363 1.952 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1670885722 AKYUTGKZVUBZJW-CYBMUJFWSA-N 425.935 1.448 30 10 IDEE C#CCC1(NC(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)CCOCC1 1671439065 QUIKGIKRDRIXNL-UHFFFAOYSA-N 425.507 1.314 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 1676350236 FDGAAWNIVLNJSE-KDOFPFPSSA-N 425.532 1.805 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCc3nnc(S)n3C3CC3)C2=O)cc1 1682022379 ZCUHXDDKRKQXCI-MRXNPFEDSA-N 425.518 1.416 30 10 IDEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)O2)CO1 1684205894 OBOCGEYVMBUZRB-PLMTUMEDSA-N 448.545 1.301 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1689990540 PQGMXCIUEKYHQQ-QZTJIDSGSA-N 445.545 1.598 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2c(F)cccc2F)CC1 1690109632 YMOURBXZAZZBEG-UHFFFAOYSA-N 428.487 1.790 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCN(C)C)CC1 1690124234 HVAUSBSMQYDOFT-NRFANRHFSA-N 440.548 1.124 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690497513 RWLXAFHTQNCXPO-HNNXBMFYSA-N 434.522 1.141 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC 1690596958 FQMUPPFJQZBUGX-BZSNNMDCSA-N 439.582 1.605 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1690643485 CEVVBZNKTZJSDW-LPHOPBHVSA-N 449.577 1.960 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N2CCCC2=O)CC1 1690667070 PCVALKNADMICKV-UHFFFAOYSA-N 426.496 1.978 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690673865 HTZWYESHXHPKSY-JOCHJYFZSA-N 427.553 1.799 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1690678192 NZTBAKKDGUTNRH-CRAIPNDOSA-N 428.541 1.419 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2noc(CC)n2)C1 1690684385 FCKKRIBLZLWRDK-HNNXBMFYSA-N 438.492 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CC)C1 1690714605 PSHXEJUKFYJHSJ-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1691008191 FOCFUAPPKLIVAX-WBVHZDCISA-N 441.511 1.480 30 10 IDEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCCC1 1697808457 FNZFSXOISRHHCI-DLBZAZTESA-N 437.566 1.506 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnn2)c1 1698293529 GTRQDLKLDCIQKC-IBGZPJMESA-N 444.496 1.472 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1705495924 XOCJGVGYNRJCPQ-QFBILLFUSA-N 447.561 1.516 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCNS(C)(=O)=O)c1 1705506997 OMEQSMATVZGNMW-UHFFFAOYSA-N 430.534 1.151 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1705517464 WHQUOCYDZYPHGZ-ZWKOTPCHSA-N 439.582 1.420 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1705541857 TWMANCLXORUONL-DLBZAZTESA-N 430.578 1.405 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1705559322 XWKGZFHVXHTVDZ-KRWDZBQOSA-N 447.561 1.773 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1705561521 UQXPIINVZCTPQY-KSZLIROESA-N 440.566 1.055 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1705630523 WEWLEZAWXOJHPV-QGZVFWFLSA-N 441.557 1.871 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN(C)S(=O)(=O)CC)CC1 1705636138 ZLLUSDGPXWZJMA-UHFFFAOYSA-N 434.566 1.273 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCC(F)F)CC1 1705641372 CIIBAPSUEJVPSW-UHFFFAOYSA-N 430.503 1.590 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(C)COCCO2)CC1 1705647697 IJUHKSZBADSLFP-GCJKJVERSA-N 431.537 1.291 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705761374 KOQPIXAUEGJKTA-MRXNPFEDSA-N 430.534 1.907 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC(C)C 1705836080 DPZYZGBRLAJSBG-UHFFFAOYSA-N 431.360 1.986 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705904511 QYMGHQOCCONVAR-UHFFFAOYSA-N 442.568 1.603 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@H](C3CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908591 DYFXOWXPDMCQJX-AUSIDOKSSA-N 447.580 1.874 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1706579019 NMNORYDBHGQLKH-ZWKOTPCHSA-N 439.495 1.520 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)C1 1706934673 DSNZJVUEWJKLEG-DYESRHJHSA-N 448.593 1.713 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1707918937 BTTZLKFSVYIQIC-MLSMBGFSSA-N 426.452 1.830 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCNC(=O)C1CCC1 1709136864 AJNOCQQZXNAPBO-UHFFFAOYSA-N 439.568 1.387 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1710166151 AGDMKPSLSMBZLL-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(N(C)C)c2)CCOC1 1710482097 AJJREUYNXFGSOZ-UGKGYDQZSA-N 426.521 1.773 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1CCN1CCCS1(=O)=O 1712453098 AVYDLZWQNUXESA-UHFFFAOYSA-N 436.513 1.486 30 10 IDEE CO[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@H]1OC 1712681318 TYXSYGGCJZXYLS-UEXGIBASSA-N 431.493 1.682 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1712696142 RJJCNISWJXTOLR-MOPGFXCFSA-N 445.545 1.494 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1722377070 NUQKNFGPIVGVEX-HKBQPEDESA-N 434.529 1.295 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722461053 ONHGTYLXQZOVSY-SFHVURJKSA-N 440.573 1.800 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)NC)CC1 1722492963 VIZZRWGBNQCAPY-WDSOQIARSA-N 435.569 1.946 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)nn2C)CC1 1722581108 HMOCVGLHKXBUSH-GOSISDBHSA-N 449.581 1.104 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1)C1CC1 1722651227 RRYSWXOOZWDENY-MRXNPFEDSA-N 430.534 1.737 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCOC2(CCOCC2)C1 1722727103 FXLVZLYIKPBNMD-UHFFFAOYSA-N 426.583 1.853 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)n1 1726083708 JJRXFGZHQCMGNV-UHFFFAOYSA-N 443.533 1.666 30 10 IDEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1730354459 ALFHKUHBQUHKOV-PCCBWWKXSA-N 438.532 1.973 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1730762638 IDSVHAAUZQIELN-KRWDZBQOSA-N 439.520 1.851 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1730900753 KJOPIFDLPCYQTB-UXHICEINSA-N 427.505 1.864 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2Cl)CCO1 1731188544 HQLJSHYGDDCCKK-QWHCGFSZSA-N 439.900 1.750 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1740540297 VCKSAMAXABNOHY-MRXNPFEDSA-N 429.546 2.000 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCNC(=O)C2CC2)CC1 1740690489 JMBLZEMUVTUWAY-QGZVFWFLSA-N 440.523 1.839 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1740695447 RJOQQFBCIPMUKU-WJOKGBTCSA-N 435.557 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(C)(C)O)CC1 1740703251 LEPLQTQFOLNZAY-HSZRJFAPSA-N 447.580 1.446 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740742848 DCQMBJNJQVJYNM-KBPBESRZSA-N 439.358 1.880 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740991156 PLUCZOFNTSBWDM-MSOLQXFVSA-N 439.582 1.078 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1741003646 ZIOGJSLFSCVMST-MRXNPFEDSA-N 443.639 1.999 30 10 IDEE Cn1cc([C@@H]2CCN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)cn1 1748014937 SNOZDKAPSHMDPS-RAJOGRCSSA-N 438.536 1.829 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1748273856 ONHTYRJFTPPMTI-MRXNPFEDSA-N 441.511 1.646 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748820700 HMJXJBKNFOQXPR-VQTJNVASSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1748857488 ANJMNVOXCUFDEV-WBTXTPOCSA-N 431.562 1.264 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748937110 BOBZXZKOOAEYNJ-GOSISDBHSA-N 431.562 1.907 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CCc2ccccc2)C1 1749650074 ISEFNEYRHBUPGB-LJQANCHMSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1749669195 IEKLPHPSAJLPMN-IAGOWNOFSA-N 448.568 1.777 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@@H](C)CCC 1760219588 ILINRUIOWLCJEO-ZWKOTPCHSA-N 433.578 1.196 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1760219631 JQAFGWUGXCMUBJ-FQEVSTJZSA-N 448.589 1.476 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1760258648 PRAZMICMYPWLLV-UHFFFAOYSA-N 429.484 1.595 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)c2ccccc2F)CC1 1760260370 QDFDRPFJCCMPKY-IBGZPJMESA-N 439.539 1.650 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C(C)C)C(C)C)CC1 1760260583 YIBLRRUVQSZBHP-UHFFFAOYSA-N 441.580 1.880 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1760263593 IBEXOLZJNSNTKF-HXUWFJFHSA-N 440.523 1.762 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nnc(CC)s2)CC1 1760273376 QXKPQOLQRRPSOM-OAHLLOKOSA-N 429.550 1.558 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](CCOC)C1 1760518001 FBLBGPOMOXDIDV-MRXNPFEDSA-N 437.508 1.086 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760525229 YFZXZCQEUUKVEI-SJLPKXTDSA-N 429.521 1.420 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(=O)NC)c2)C1 1760534250 UDULWPJKTLUXDU-IBGZPJMESA-N 440.548 1.800 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCCS1 1766395795 BQXYWLKDPRWBMC-INIZCTEOSA-N 430.582 1.950 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1767710830 IKGDMIBJQRVUKN-IBGZPJMESA-N 447.561 1.883 30 10 IDEE CN(C)C(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1768444655 FRHAXDXHBJVMKM-MRXNPFEDSA-N 445.911 1.069 30 10 IDEE COC1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1769023842 ARABFKZHELAXRS-CUYAVPTFSA-N 429.569 1.798 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1769718089 JSLLUINPGSKEGS-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1771016375 ONPXHJHAVFNEGN-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCOC1 1772660150 QECMOPHPDPQCRQ-MRXNPFEDSA-N 448.545 1.790 30 10 IDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)ON3C(=O)c4ccccc4C3=O)n(C)c2)C1 1772789615 CAGHKCSLLMTQRU-CYBMUJFWSA-N 431.470 1.814 30 10 IDEE C=CCOC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1I 1850690280 LYUVYAWZSMSGOB-NHYWBVRUSA-N 442.253 1.656 30 10 IDEE Cc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1 1851524445 ZHBVNPBYCBHASG-FQEVSTJZSA-N 433.512 1.980 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)CC1 1852476186 UUCXVGKMLHFVTG-OAQYLSRUSA-N 446.511 1.853 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NCCN3CCC(C#N)CC3)OCC(=O)N2C(C)C)cc1 1889830034 DRGDEJCPQDHZHS-FGZHOGPDSA-N 428.533 1.724 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)NCc3ccc4c(c3)OCO4)CC2)CC1 1890339176 JXXJYBPTWRBJKZ-UHFFFAOYSA-N 442.560 1.747 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3Br)CC2)CC1 1890995213 SGBRWPQFOMSYLV-UHFFFAOYSA-N 435.366 1.716 30 10 IDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC[C@H](COc3cc(C#N)ccn3)C1)CS2 1891934390 DHLPQDISAAOJBG-DLBZAZTESA-N 425.514 1.858 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CC(OCc3ccccc3)C2)CCN1Cc1ccccc1 1977426314 MZLXNORVGRNJPT-OAQYLSRUSA-N 426.542 1.842 30 10 IDEE C#CCOCCOCCNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2015732126 BUXALTDOAJUROQ-UHFFFAOYSA-N 433.549 1.796 30 10 IDEE C=C(CS(=O)(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962779 RCEOIVLLWLZKND-HUUCEWRRSA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254801019 PWCIVTZZSMRLHD-KBPBESRZSA-N 437.321 1.984 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255622569 BJYCBXFHRGSITA-KBPBESRZSA-N 434.346 1.847 30 10 IDEE Cn1cc(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255653504 JQMREHKYZABDKC-KBPBESRZSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255700488 DGQASVSQTVJPKL-GJZGRUSLSA-N 435.330 1.414 30 10 IDEE Cn1nc(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255840501 NKJXNMYSQVVJGR-CQSZACIVSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)O 2256679717 YUNOIOJZKNLUGJ-HNNXBMFYSA-N 435.330 1.984 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)n1 2267115793 LNSZEOAVMHHUAS-UONOGXRCSA-N 447.345 1.196 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2269702852 KSYXVGRNWGIICQ-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CN(c3nccc(C#N)n3)CCO2)n1 2296588012 XZAJNOOEAHHZCI-SFHVURJKSA-N 430.472 1.548 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(=O)N1C[C@H](C#N)N2CC[C@H]1C2)Cc1ccccc1 2303307258 NGPIOLNIWXERRO-PMACEKPBSA-N 427.549 1.822 30 10 IDEE O=S(=O)(NCc1sc(Cl)cc1C#CCO)N1CC(OCc2ccccc2)C1 2369942266 SZYAMJMQYFLFEG-UHFFFAOYSA-N 426.947 1.981 30 10 IDEE CCOc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(Br)c1O 57416780 FBIHKHPLDBZRHX-YBFXNURJSA-N 431.356 1.684 30 10 IDEE C=C(C(=O)OC)[C@@H]1[C@H](OC(=O)Cc2ccc(O)cc2)CC(C)=C2C(=O)C=C(CO)[C@H]2[C@H]1O 85942967 DDNQXWHGQQEAOE-HWHRFOGPSA-N 442.464 1.391 30 10 IDEE biogenic Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 102758285 QSDZZFZZKMVZKL-LCPUNJGISA-N 439.516 1.576 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440376097 QAGRPTNHYQHFPW-UHFFFAOYSA-N 443.488 1.511 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 441991614 YVEDKYNVJJOAFX-UHFFFAOYSA-N 434.543 1.286 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 465261469 KOFHLMZIBQFFIX-HIFRSBDPSA-N 426.427 1.717 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 470542550 HSPSTRXLUGXVAN-UHFFFAOYSA-N 438.532 1.721 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476801841 GPFJAMVGHTUDFI-RHSMWYFYSA-N 430.530 1.773 30 10 IDEE CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 478852587 IPHMPOXDKXPKSM-OAHLLOKOSA-N 427.482 1.645 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(F)cc1 505694160 KZDILJALLIRQHH-UHFFFAOYSA-N 439.516 1.499 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] 506506444 RBHCLSPHKSZLMT-ZDUSSCGKSA-N 426.433 1.683 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)cc1 508633614 CCEUABCQPXGWRZ-UYAOXDASSA-N 439.516 1.334 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 508921484 LKQKLJCPQARCBN-OALUTQOASA-N 447.561 1.245 30 10 IDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 509003542 XPNJIEFVQUNBKC-GOSISDBHSA-N 449.519 1.182 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)n(Cc2ccccc2)c1C 510659377 PVYDWEQTPYNJGP-SFHVURJKSA-N 429.546 1.716 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 541145560 JLGFYZRZZVYEMC-MRXNPFEDSA-N 427.770 1.862 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCC 544078545 VGNKGWLGGNAVNQ-UHFFFAOYSA-N 427.555 1.596 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)CC2)n1 545466170 ANCUVSXUIGJDGQ-NRFANRHFSA-N 438.507 1.997 30 10 IDEE N#Cc1cc([N+](=O)[O-])c(N2CCO[C@@]3(CCOC3)C2)cc1N1CCO[C@@]2(CCOC2)C1 569876117 MXYUGXFRCHLBMI-SFTDATJTSA-N 430.461 1.458 30 10 IDEE CCCOc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC 573270676 DJRFGJOSXIHBLI-UHFFFAOYSA-N 437.500 1.716 30 10 IDEE C=CCNC(=O)Cc1noc([C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)n1 573848736 ZJLHFUCIHCVWEE-ARIQVYRHSA-N 444.491 1.861 30 10 IDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO1 579263125 IZJPZBDHZPUMFN-QGZVFWFLSA-N 430.534 1.402 30 10 IDEE C#CCn1nc(CNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)c2ccccc2c1=O 585170804 QXFGTWKKKHQNJI-AWEZNQCLSA-N 447.520 1.428 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)c(F)c1 585774289 MSSDJQZHWVCKGL-UHFFFAOYSA-N 447.264 1.622 30 10 IDEE COc1cccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 585824438 REUGIICBCMNVOH-VKQWELSQSA-N 447.491 1.811 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3C[C@@H](C[C@@H]4COCC(=O)N4)c4ccccc43)cc2)c1N 588775990 XOQPMWVRYMNKOL-SJLPKXTDSA-N 442.479 1.975 30 10 IDEE COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)Cc1cccc(F)c1 609266096 GBIYEAADXCMJPI-QGZVFWFLSA-N 447.488 1.779 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 609522200 ZOSDTIYESLEKMU-MJGOQNOKSA-N 435.546 1.064 30 10 IDEE N#Cc1ccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c(F)c1 613519767 ZQLIAXXBTOIUOK-UHFFFAOYSA-N 446.460 1.341 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)CC1 733149285 DMEATLOFITVLTL-QFIPXVFZSA-N 438.572 1.270 30 10 IDEE COc1cccc(N2CCC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 735261504 SSLKAGLYGSXKIA-HNNXBMFYSA-N 428.514 1.519 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)C1=O 748567413 LJPFXBPBZDCKTI-HNNXBMFYSA-N 434.290 1.959 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 749374419 DKQMIPHDSDUTTM-LSDHHAIUSA-N 425.557 1.319 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCCOc1ccc(C#N)cc1 760818073 NKDGXRKJFCXNLT-SFHVURJKSA-N 430.505 1.959 30 10 IDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 767682077 UVFZMPMISVWSEK-HNNXBMFYSA-N 439.490 1.573 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CCC#N)CCCN(C)C)C1=O 771317420 KRQTWKGVIAERBW-QFIPXVFZSA-N 429.521 1.465 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 780203321 BISSBPGWXBXQGJ-AZUAARDMSA-N 444.440 1.618 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2 782966607 OVVKWQLJDBTCRD-QDASYUEBSA-N 433.509 1.696 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 790220660 LMERCISVWXZGJV-PZJWPPBQSA-N 425.460 1.565 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC 795805677 LBOGHJRJURDRDN-LLVKDONJSA-N 440.326 1.591 30 10 IDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)c2cc(C#N)ccn2)CC1 803848256 MRAZKOHFEZZWJL-UHFFFAOYSA-N 435.484 1.510 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807935212 CQXJYWQRJMZTGN-SOUVJXGZSA-N 442.536 1.946 30 10 IDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)n1 814392532 QXHMLRBYYWLTEY-UHFFFAOYSA-N 438.575 1.661 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 817511181 IBCCLGNIYBKUEI-UHFFFAOYSA-N 449.529 1.060 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC(=O)NCc2ccco2)cc1 916716757 ZJFRCFQRLRNVDY-QJOMJCCJSA-N 433.490 1.530 30 10 IDEE CC(C)(C)c1ncc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)s1 920394705 AOIVIQIVWUGYAW-UHFFFAOYSA-N 429.571 1.023 30 10 IDEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)NCc1ccccc1 1084633212 JGPSGIMATTYCIT-UHFFFAOYSA-N 426.462 1.755 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)n1 1128668273 SOANPMKPEFYPKU-SFHVURJKSA-N 437.500 1.503 30 10 IDEE CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1151224304 HPFWJUKFPWQQHP-QGZVFWFLSA-N 425.493 1.580 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@@H](C)OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1176496119 ODUKSJYJCZOSFA-LJQANCHMSA-N 434.581 1.254 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3ncc(C(=O)OC)s3)C2)cc1 1179538239 VPWQKDWWKNEILV-CQSZACIVSA-N 433.511 1.471 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1195261418 QMPJXDMZDWZWIX-UHFFFAOYSA-N 432.315 1.405 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OC 1213735033 HTLJCTIEIRKOLR-SECBINFHSA-N 427.264 1.201 30 10 IDEE C=CCc1cc(CNC(=O)N2CCC(NS(=O)(=O)NC)CC2)cc(OC)c1OC 1221553686 OEQYIOKQUIVVQE-UHFFFAOYSA-N 426.539 1.160 30 10 IDEE CN(C)S(=O)(=O)C1(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1255460400 SYJPNLGPMUKJOU-UHFFFAOYSA-N 448.505 1.062 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1286446513 GYMKDVDZLNNDHT-IIBYNOLFSA-N 435.525 1.197 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)N(C)C)CC1 1286469813 LUWGHMQHNUAGBI-GOSISDBHSA-N 448.531 1.577 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(S(C)(=O)=O)CC2)CC1 1286490952 YIMMREPDYVERQZ-UHFFFAOYSA-N 433.578 1.479 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286785313 IWSKSZNLNDXDJX-UHFFFAOYSA-N 437.548 1.871 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1286789902 IUIYLKRZYYQZNC-HSZRJFAPSA-N 438.532 1.109 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286818511 JRWMGCFSEMMSEZ-INIZCTEOSA-N 447.565 1.077 30 10 IDEE C[C@@H]1N(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1291318023 BGZVIVRGWUXTEC-DXNFXHBHSA-N 430.509 1.312 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1294896879 ANLGNKUTOBMEBE-SFHVURJKSA-N 438.536 1.292 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1297562491 BBUABPJWQLGAGK-KRWDZBQOSA-N 437.548 1.642 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2Cc2ccc(C(N)=O)nc2)c1 1300334042 HIWLRDJAQQZHBW-UHFFFAOYSA-N 443.511 1.829 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300365113 PPPQCCQQVZKVCT-QZTJIDSGSA-N 432.550 1.086 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1300422076 XSBZXQYFGPGASP-CVEARBPZSA-N 426.546 1.930 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300499741 WHIMQUKHSMHWPH-MRXNPFEDSA-N 443.558 1.099 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1300557918 ZYKVAURNMQGLQG-KRWDZBQOSA-N 429.546 1.717 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1300579372 ULYBTZWCZDZDFH-VQTJNVASSA-N 431.606 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1300580780 ILMCAMQRBSARBZ-RTBURBONSA-N 435.519 1.991 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1300991580 VFCUSJJAVNYIFW-SFHVURJKSA-N 425.599 1.551 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCS2(=O)=O)CC1 1301070567 PMRBHDOXBLKKNE-FQEVSTJZSA-N 439.582 1.511 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1301314457 WYFKLOOIYKTSKB-CYBMUJFWSA-N 433.600 1.256 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1301406503 YJLBOUVFQQJSMO-MRXNPFEDSA-N 444.540 1.942 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(=O)OC)C1 1301492675 MUSNIUCOWASKAH-HNNXBMFYSA-N 427.461 1.018 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 1302921954 ZWKAGRWIXFCHDO-UHFFFAOYSA-N 447.586 1.193 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCSCCCO)cc1 1302989114 HEQIIHRMXJNTQL-NRFANRHFSA-N 426.546 1.791 30 10 IDEE Cc1ccccc1CN1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1304570374 LVRDEXKHLFDBLS-DQRAZIAOSA-N 435.532 1.744 30 10 IDEE C[C@@H](CC(=O)N[C@H]1CC[C@H](c2nccc(O)n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1304820862 VFAWCYJZUNSJHH-KKUMJFAQSA-N 443.529 1.842 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(C(=O)CC#N)CC2)cc1 1307777302 FLQFASGKSFOISF-UHFFFAOYSA-N 434.500 1.971 30 10 IDEE Cn1ncc(I)c1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1313196548 LRZFJUSBXBBYDB-UHFFFAOYSA-N 437.241 1.869 30 10 IDEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1315467606 DKNFUGSDOPVJEP-AEFFLSMTSA-N 431.518 1.160 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)OC 1315807174 FYOPRKBRYALKKV-NEWSRXKRSA-N 440.504 1.105 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359039053 VNKXUICVNMJKNM-NTKDMRAZSA-N 439.560 1.715 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1359055958 UGKVKMVUKHQMER-MRXNPFEDSA-N 445.980 1.971 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1359281312 VLOAQFOKOJLFKS-MRXNPFEDSA-N 434.541 1.735 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1462697993 GTZKBWSLPBIJRK-NRFANRHFSA-N 433.512 1.418 30 10 IDEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1464956616 YGVKJCUHLFMYTN-RDJZCZTQSA-N 439.559 1.419 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1465053566 CAYUBUARDNPRKO-UHFFFAOYSA-N 437.525 1.906 30 10 IDEE C=CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1470436024 XDFHEZXWCOUKQF-QGZVFWFLSA-N 437.537 1.863 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1475294592 LINWXHZGTBFDDV-SJORKVTESA-N 430.448 1.905 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCS(=O)(=O)C1 1479232916 BBHQQECKFFPGQR-JWRWLIQVSA-N 440.562 1.488 30 10 IDEE CCc1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499029771 JBXWQPNOCWZDBA-BSBNDGSWSA-N 441.536 1.110 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@@H](C)O1 1504710424 AQTQGLQHJQORQB-OXQOHEQNSA-N 436.520 1.818 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1505321774 FADNLLJBDMBMIZ-MOPGFXCFSA-N 445.545 1.516 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1507633398 DIDKFHNVRRXGPA-PGRDOPGGSA-N 446.573 1.975 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1507640080 OZNYBWOGPACUOS-SFHVURJKSA-N 430.578 1.957 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(C)noc2C)CC1 1507739445 PZAMMZJHUWMGCW-SFHVURJKSA-N 426.521 1.791 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1507843102 HVDRIKNDJBOYSD-CABCVRRESA-N 430.475 1.895 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508851348 GCBQFRVSBXCNGK-HFJQGTKSSA-N 438.532 1.851 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1509795058 YUPOSQFXXYTHNR-UHFFFAOYSA-N 447.565 1.438 30 10 IDEE CN(CCC(F)F)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1517264884 XGAAESPVIWNTDY-ISLYRVAYSA-N 437.451 1.018 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1518764876 XCJVTTYRSAZYGD-RHSMWYFYSA-N 445.474 1.551 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1CC(=O)N(C)C 1519149625 AUOLJKNXBUZZKF-UHFFFAOYSA-N 433.516 1.877 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1519529104 FEXHYZKZWPLYSH-QGZVFWFLSA-N 442.904 1.497 30 10 IDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1521109465 BEBIRRQDAFMISM-LJQANCHMSA-N 429.569 1.491 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)ccc1F 1538385208 MKOVUYALSDDWNB-ZDUSSCGKSA-N 426.388 1.904 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1539179067 NATDWESZAMVCOO-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539263707 OGDALPHLZNOATB-UFYCRDLUSA-N 439.539 1.591 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1539265775 KIPVIAFVPAMDIO-WFXMLNOXSA-N 449.577 1.032 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1539266845 TUEYYNPARJKWKE-GCJKJVERSA-N 426.542 1.551 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1539578667 BFYJKRCDFKNFCW-ZDUSSCGKSA-N 447.403 1.471 30 10 IDEE NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1540568160 PFHFPJJALJRGMQ-GOSISDBHSA-N 449.404 1.915 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CCCCC#N)CC1 1544434143 IBKVKMICLQHWTD-UHFFFAOYSA-N 427.548 1.315 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OC)c1OC 1555671303 QCEFFXMCZQYSFU-WBVHZDCISA-N 431.493 1.796 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1569675804 JURYREQQMCMEOY-OALUTQOASA-N 447.488 1.438 30 10 IDEE C=CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1587499374 VKYKCBLUJVUOKT-UHFFFAOYSA-N 429.970 1.989 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588041612 YMYRFUTVKWACSX-SONOPUAISA-N 448.614 1.903 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1588646904 PAJCIPNEARQFCW-LPHOPBHVSA-N 446.529 1.311 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCO2)CC1 1588884699 KSZHMZQVFIGKDL-GOSISDBHSA-N 428.537 1.049 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCC(N)=O)CC1 1589037309 XRXCZEXZQANFLT-UHFFFAOYSA-N 443.529 1.511 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cnn(C)c2)CC1 1594097433 SXULHQROTBABIF-GOSISDBHSA-N 449.581 1.134 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSCC1 1595788622 DWXLTBPLYLOXQO-UHFFFAOYSA-N 446.558 1.748 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC(F)F 1603683657 VTHPAXPMBJDDLV-UHFFFAOYSA-N 432.479 1.451 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1617292542 DHJZFNSLUPVPGQ-UHFFFAOYSA-N 427.534 1.664 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C1CCN(C)CC1 1617454483 QHBARSUPIBQBCG-MRXNPFEDSA-N 429.517 1.621 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCOCC1 1617907404 DAEHWFKSHAAUIO-UHFFFAOYSA-N 432.488 1.525 30 10 IDEE Cn1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 1618422427 ASSQEZKEPCORNN-HYVNUMGLSA-N 442.524 1.559 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1620101981 FQCHJSDGQMFXBJ-GREBRCKQSA-N 446.596 1.979 30 10 IDEE N#CCCN(CC1CC1)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1620358856 HJPBZZYOQWTQLB-JOCHJYFZSA-N 443.573 1.743 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1)c1cc[nH]n1 1624100676 GXPVIJCGXHGGIP-UHFFFAOYSA-N 427.461 1.244 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 1630737257 DFQZYKXSYHMIAR-UHFFFAOYSA-N 426.498 1.534 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1633641248 UAZZEUZNZLYVFU-BAIUQKDGSA-N 439.559 1.142 30 10 IDEE C=CCOC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1634063096 CEHJHDSHJMIFCY-AWEZNQCLSA-N 434.308 1.473 30 10 IDEE CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 1635665847 KJDDNUBUCKNRNW-SJORKVTESA-N 446.614 1.991 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)CC1 1635993014 FRISAFXMPBUNIA-UHFFFAOYSA-N 433.434 1.707 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nn[nH]c2C(=O)OCC)c1 1637909617 ICTVFUCYDCLVNR-OAHLLOKOSA-N 433.490 1.423 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccno2)CC1 1643391152 PTADYZUSRSQFFN-GOSISDBHSA-N 445.545 1.616 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC(=O)N1 1649540426 VSUHGQBYWBCRSZ-UKRRQHHQSA-N 429.550 1.283 30 10 IDEE N#CCNC(=O)CNC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 1682372832 BLBPDRLZGWZZQN-CYBMUJFWSA-N 426.258 1.505 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1689841905 QCQGJDUSTSSTRA-DOTOQJQBSA-N 445.545 1.598 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1689847564 CEIXOYWFYUTPLI-ROUUACIJSA-N 449.559 1.497 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689986396 OUMIGVWFPFVPCE-HZPDHXFCSA-N 436.509 1.565 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC(=O)N2)n1 1690109417 QKELWLKTOULEQI-MJGOQNOKSA-N 441.536 1.281 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N(C)C2CCCCC2)CC1 1690124786 UNLKJKBYQCTTMT-LJQANCHMSA-N 428.581 1.718 30 10 IDEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690219926 NRTSSNOIHLYCAG-LBPRGKRZSA-N 439.358 1.627 30 10 IDEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)C1 1690230485 FSMRMTYSXANRQN-UHFFFAOYSA-N 430.310 1.704 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690252552 GDEGPBYIKUIIOI-LAUBAEHRSA-N 432.569 1.196 30 10 IDEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690358972 PKCVAPRBOHFPCE-VPWXQRGCSA-N 425.961 1.840 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1690669819 PUPCIGPNYGLOKX-HNNXBMFYSA-N 427.465 1.119 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1690684957 SHDXOCBCTFQPRT-GBESFXJTSA-N 434.585 1.697 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1690725399 OQWLSNKXCDJPFB-UHFFFAOYSA-N 449.552 1.979 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1696340982 GDFFXJOZJFYSMY-LJQANCHMSA-N 440.552 1.129 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1696584059 SVQBUNJKFYSPAV-OAQYLSRUSA-N 442.545 1.310 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@H](C)C1 1705490982 VEEDPUIMJCFMIP-DLBZAZTESA-N 428.537 1.965 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705516077 TZPVWZGVUWHNRM-KRWDZBQOSA-N 426.481 1.979 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1705571401 YXQJEOMPWORFCZ-OALUTQOASA-N 434.537 1.789 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1705583292 USYXIXOEEXRZIC-ZWKOTPCHSA-N 442.541 1.729 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCn1c(O)nc2ccccc21 1705585158 MFBASKYXSWIBFM-UHFFFAOYSA-N 428.500 1.968 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705634246 ORFBFRSYCBFPCH-KRWDZBQOSA-N 441.923 1.342 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)F)CC1 1705643396 DOKUHWMXOMRECK-QGZVFWFLSA-N 432.475 1.972 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705652521 CFRYGSHARHLRHA-UHFFFAOYSA-N 447.609 1.509 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705662790 LMVUOXVBKVIFKY-QFIPXVFZSA-N 426.590 1.931 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)C1 1705914079 GFUGDROVFINCAH-WHSLLNHNSA-N 428.493 1.247 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705925701 SRHCPTRUAVUJHU-JROKQLJMSA-N 442.520 1.480 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1705935116 HOOZVBRBSIRPBT-OAQYLSRUSA-N 431.562 1.480 30 10 IDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705949452 ZBEMHVABBLUEOI-KRWDZBQOSA-N 439.545 1.862 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1711015921 SUNYSMOYLODILO-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722553825 IBELEDJFFZCMJT-SFHVURJKSA-N 446.987 1.635 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722627037 RELHTRWHEQFSNH-SFHVURJKSA-N 439.520 1.699 30 10 IDEE C=CCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722690685 MHNIRKKBYKUIRY-IBGZPJMESA-N 427.571 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC(C)(OC)C1 1722729831 YHABUJCCUSOJCX-UHFFFAOYSA-N 426.489 1.973 30 10 IDEE CC/C=C\Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727843816 ARDMUZOLSAUYNB-CFHLNLSMSA-N 431.522 1.389 30 10 IDEE CCCC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1727897522 XXLFEMKWPOXKFN-CRAIPNDOSA-N 439.520 1.875 30 10 IDEE CN(CCc1cnccn1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1729507077 JIHKEOOLKIPZIS-UHFFFAOYSA-N 429.444 1.907 30 10 IDEE N#Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)o1 1731184706 SAHQEYYIDINJTH-GFCCVEGCSA-N 446.393 1.753 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740553463 SQMGBQDJFQCIRR-KSZLIROESA-N 441.557 1.691 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(CS(C)(=O)=O)CC2)c1 1740564394 LNWYJWGQCFJVTN-UHFFFAOYSA-N 429.546 1.722 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740615797 LFTXMAOOWSDZLO-ZWKOTPCHSA-N 449.577 1.516 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cc(C)cc(C)c1 1740631144 PPDYPQDUDGOFQY-SFHVURJKSA-N 429.546 1.657 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1740637660 HKLPGTAVVGEHHB-ZWKOTPCHSA-N 449.577 1.414 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1740647041 MWJXPPWOCNKGBL-JOCHJYFZSA-N 448.589 1.606 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1740650452 APZVIVMGCSRZLL-QGZVFWFLSA-N 442.541 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)CC 1740654221 IVTZWGWWAQFDKX-UHFFFAOYSA-N 435.500 1.549 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1740684048 IYXYQLFCJZUCRH-JOCHJYFZSA-N 435.488 1.158 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740716086 LAJQTFVYCSETTJ-QGZVFWFLSA-N 436.545 1.189 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740884431 AOSMSBFSFDLJNX-WIYYLYMNSA-N 441.580 1.855 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740884510 CSUCVHXTOPVHKL-SFHVURJKSA-N 429.569 1.961 30 10 IDEE C=CCn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C1(c2ccccc2)CCC1 1740949628 NKXWFXDXACIMFP-UHFFFAOYSA-N 438.576 1.819 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740951444 ZDWRTUOTDYKKFP-UHFFFAOYSA-N 442.446 1.107 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1740960989 IQSCIDLYUPXBQX-LJQANCHMSA-N 437.548 1.070 30 10 IDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1744697180 PTQXXYWEESNEER-APWZRJJASA-N 425.512 1.500 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2([S@@](C)=O)CC2)c1 1748692964 UDUDZQQUEAPQGF-NMEJYPJZSA-N 441.557 1.749 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1748719372 ZHVPVXQAOGUIMM-KRWDZBQOSA-N 436.607 1.955 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748808804 NVHAXMSERRBXRL-HXUWFJFHSA-N 437.525 1.790 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748816145 XOYCMEBLVAHNNE-CVEARBPZSA-N 433.559 1.274 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(CC)c1 1748920785 RSNGPJPYLPETGB-UHFFFAOYSA-N 426.550 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCOC(C)C)CC1 1749015727 LKMMSEKJFWKMFR-UHFFFAOYSA-N 430.553 1.181 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749026279 JTWZHWFQMSQZRD-KRWDZBQOSA-N 426.546 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749663974 CPTMJQOVXRVROQ-UHFFFAOYSA-N 438.561 1.729 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1750197712 OWNCIPMHBFXVBR-QGZVFWFLSA-N 435.575 1.556 30 10 IDEE CC(C)Cc1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750726590 LMBLXXHIHVQGRD-JHBCHSCWSA-N 438.536 1.730 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1750961331 WRJPPNLABGTHQG-INIZCTEOSA-N 434.522 1.333 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCCO1 1751241217 RCZQFJKYWAPJDN-YSHGAJCASA-N 444.561 1.811 30 10 IDEE CC1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1751291538 FJEOMTSNVFBLKJ-VHEBQXMUSA-N 427.509 1.306 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1760495119 FSIMOOQSOHOHEO-SFHVURJKSA-N 439.545 1.988 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CCN1CCCS1(=O)=O 1760500929 CVSNGTUHTXIJKY-QGZVFWFLSA-N 435.550 1.646 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760525796 RTTFYIKRNUGDOZ-UHFFFAOYSA-N 441.536 1.623 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1760527022 LCZWMOKVUOQCQC-UHFFFAOYSA-N 426.521 1.043 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760529034 VCQSETJDSCRKCK-IEBWSBKVSA-N 444.580 1.907 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1(c2ccccc2)CC1 1760554153 SXQVBCGGOVFNQO-GOSISDBHSA-N 443.573 1.998 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1761284035 OVGLOAZTDKOCCX-ATZDWAIDSA-N 441.529 1.195 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1762214325 BDVRPDDXASJGBT-RDTXWAMCSA-N 430.509 1.950 30 10 IDEE C[C@@H]1CN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CCCO1 1763197372 DVGIOWJEXSYPPP-BRWVUGGUSA-N 441.602 1.128 30 10 IDEE CN(c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1766958987 YCIRCDLGSGIVIA-STGLLQLASA-N 443.895 1.745 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)C[C@H]1O 1769455834 BSJDYVJENLVJSB-DNVCBOLYSA-N 439.447 1.881 30 10 IDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)ON1C(=O)c2ccccc2C1=O 1772789802 XWXOLPRAMGZLEL-MRXNPFEDSA-N 433.461 1.796 30 10 IDEE COC(=O)N1CCC(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1 1851741469 SJPULMRBSDYCMY-FQEVSTJZSA-N 431.489 1.659 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cnc21 1852422170 XJTVKYVERYOBGV-UHFFFAOYSA-N 427.461 1.731 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1854103420 NYPNIFOCLLNMSU-GJZGRUSLSA-N 431.514 1.672 30 10 IDEE CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1856536185 KICIIGDNOSCNCG-HKUYNNGSSA-N 429.542 1.776 30 10 IDEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868781849 BJHHLQQGAQBHJC-PBHICJAKSA-N 431.562 1.253 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cs1 1889945205 VEWYXRYNBLOWGI-UHFFFAOYSA-N 438.517 1.305 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1890418596 ICXKDWBGPASURU-UHFFFAOYSA-N 441.544 1.775 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1897267468 BMYYWDSJDHYAQW-CABCVRRESA-N 425.526 1.944 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2060626647 ZHWCFWRQSJBWEI-OAHLLOKOSA-N 435.330 1.512 30 10 IDEE C#CCn1ncc(NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c(Br)c1=O 2106032822 OKBSLZFMIZGTJJ-GFCCVEGCSA-N 427.299 1.687 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@H]4CS(=O)(=O)C[C@H]4C3)c(Br)c2)OC1(C)C 2172779418 CEKYHJTZCFCUKY-TXEJJXNPSA-N 443.172 1.624 30 10 IDEE C#CCNC(=O)CNC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237401011 RXOSDFJMISZMMC-HNNXBMFYSA-N 438.322 1.751 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243370979 VZOWQVOXOTWRGL-LLVKDONJSA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243370980 VZOWQVOXOTWRGL-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2243413078 ZBPUUCDBFHCKAS-UHFFFAOYSA-N 426.344 1.789 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255627535 UROMAWYUOWJPRF-QWHCGFSZSA-N 438.309 1.786 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)n1 2255635647 JHFLZGKEDIRIDI-UHFFFAOYSA-N 434.346 1.989 30 10 IDEE Cn1cc(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255823704 XUQYQMBNDLGYTJ-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255831811 CFKATWMSJZGNCN-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE C=C(CN(C)C(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256668461 AUBVSMIAJKMRQE-PMPSAXMXSA-N 440.346 1.364 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183417 GDJXGNUJSNLRCV-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)CCN2C1=O 2267501867 DVTJHWYSNDKBJW-CABCVRRESA-N 449.357 1.949 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516392 CWPFMZZULYSKQE-RBUKOAKNSA-N 441.337 1.823 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2267872589 JSUYVZZNWDABQX-IIAWOOMASA-N 444.341 1.904 30 10 IDEE C#Cc1ccccc1CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286057311 NPAAGZHBRBOSCH-IBGZPJMESA-N 430.482 1.555 30 10 IDEE CN(C)c1ccc(C=CC=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 2297186838 HZVQBEMHLWZTOD-UHFFFAOYSA-N 438.536 1.722 30 10 IDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2298016441 XKFPNSVIPXSUFH-FXUDXRNXSA-N 443.541 1.303 30 10 IDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@H](O)c2ncc(I)s2)CCC1 2367823370 PKYPPEFOFFHGRK-WCBMZHEXSA-N 426.301 1.079 30 10 IDEE N#Cc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 15266205 HBXWEBHLGSTXFZ-SFHVURJKSA-N 446.485 1.213 30 10 IDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C(\O)NCCCC)cc1 71530835 XNWKGWGFHYDWNX-ZDUSSCGKSA-N 431.536 1.607 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@@H]3CCCCN3CCN)nc2)OC1(C)C 204882358 IOGMNCVUWYBWDD-KRWDZBQOSA-N 438.403 1.143 30 10 IDEE COCCCn1c(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n[nH]c1=O 218670492 CANHFGDUJQYPHB-UHFFFAOYSA-N 428.436 1.887 30 10 IDEE CCOc1cccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1O 254351898 RUIBFOHFTUSBRH-UHFFFAOYSA-N 429.481 1.095 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446628733 OPONBWTYIRGHFM-UHFFFAOYSA-N 429.521 1.922 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447263728 JOCCJJQABVHMEE-UHFFFAOYSA-N 437.363 1.790 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 469291955 VJMCZGUJWMMKBP-LJQANCHMSA-N 449.502 1.085 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccc(F)cc1 479376950 ADIWXNNJVYBOAE-UHFFFAOYSA-N 438.484 1.471 30 10 IDEE Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 480274328 NJIJTJIGZRPUPT-UHFFFAOYSA-N 437.518 1.842 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC1 503625629 DGDVWWKTYKDUSY-UHFFFAOYSA-N 432.527 1.425 30 10 IDEE N#CCC(=O)N1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 503627892 LAFIPBGUVYRPFD-UHFFFAOYSA-N 444.488 1.753 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 504392260 SVWZTPSWFSSBFA-UHFFFAOYSA-N 444.513 1.407 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 508462924 BIBGRXIMRJTNAL-CRAIPNDOSA-N 439.472 1.053 30 10 IDEE COc1ccnc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 508674036 ZAVZVXXSAJOBGD-GOSISDBHSA-N 435.488 1.384 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN(C)c1ccccc1 508938313 ITVYJNBSVIWVJU-SFHVURJKSA-N 434.566 1.370 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cc1 514648802 XFKXNEWJHZQPHJ-UHFFFAOYSA-N 431.517 1.998 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 523306539 SPMMXCJKODDRPH-MRXNPFEDSA-N 439.493 1.869 30 10 IDEE C[C@@H](C#N)CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 533138895 AAEZPCFTAFKRKZ-AWEZNQCLSA-N 440.953 1.923 30 10 IDEE Cc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 534601789 BTXUWDJDVQVKLM-MRXNPFEDSA-N 449.532 1.925 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 538071256 LMMCHQFWPAXCNM-UHFFFAOYSA-N 436.516 1.670 30 10 IDEE COc1ccc(-n2cnnc2SCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546876656 GZVOECSZTXKPJK-UHFFFAOYSA-N 435.513 1.983 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(C4(C#N)CC4)cc2)CC3)CC1 550086207 AYUCWXDEVHPHFB-SFHVURJKSA-N 446.555 1.818 30 10 IDEE N#Cc1cc2c(nc1NC[C@@H]1CCCCN1CCn1nc3c(cc1=O)CCCC3)CCOC2 585622359 NGDIUEXKQPPUAV-NRFANRHFSA-N 448.571 2.428 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)c1 586864596 ZOVNVLQLSCYEKQ-UHFFFAOYSA-N 442.422 1.202 30 10 IDEE CN(CCN(CCN1CCCC1)C(=O)c1ccnc(C#N)c1)C(=O)c1ccnc(C#N)c1 588165253 LZYABHKDQJHANX-UHFFFAOYSA-N 431.500 1.530 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N(C)S(C)(=O)=O)cc3)cc2C1=O 599885697 BXFXPEZEKZLIQC-UHFFFAOYSA-N 427.482 1.794 30 10 IDEE C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 603633822 BJEQDLARMCGILH-AWEZNQCLSA-N 431.493 1.938 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 603800240 UVJCPIIEIBCDMR-KRWDZBQOSA-N 439.537 1.223 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C 603800855 ZIUZCHHDBVMFBB-UHFFFAOYSA-N 439.562 1.925 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc1ccc(C#N)cc1F 609230917 DEEJJRKDKKBOMV-GOSISDBHSA-N 447.488 1.555 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 609469939 UYTNYJVXHVMKMP-UHFFFAOYSA-N 444.492 1.986 30 10 IDEE CC(=O)NCc1ccc(C(=O)NCC#CCNC(=O)c2ccc(CNC(C)=O)s2)s1 681340857 QFMMLNWJUYHREL-UHFFFAOYSA-N 446.554 1.245 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CCN(C)C)c1 726942978 JMVNHGORBDVFEW-QGZVFWFLSA-N 432.550 1.537 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cc1 729673459 QMQSFNNGJFTEGC-UHFFFAOYSA-N 444.578 1.389 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730138179 JOEIIHVEPGRGND-GOSISDBHSA-N 444.561 1.084 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 731862205 ADEHDZYKUNSSMP-JHGXHUTESA-N 440.500 1.337 30 10 IDEE C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465223 DZSRPJNWMJPIBH-VEGAHXMMSA-N 441.532 1.445 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CCN1C1CC1 732709063 ZEYMCFGLXPFLHC-LJQANCHMSA-N 433.516 1.809 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccccc1 735069607 XQTUCIMBMRYVOU-UHFFFAOYSA-N 435.553 1.925 30 10 IDEE Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737304816 CNHMABDLTOFGHY-HNENSFHCSA-N 443.529 1.129 30 10 IDEE C#CCSCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 739826336 QPGISUFFMMJHSN-UHFFFAOYSA-N 447.376 1.566 30 10 IDEE CC(=NNc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc(N2CCCS2(=O)=O)cc1 741162703 IFYZXLPUARMECK-UHFFFAOYSA-N 449.558 1.898 30 10 IDEE CCOc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)cc1 751670597 DOYCDCLAEFFRFU-AEFFLSMTSA-N 434.562 1.874 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(c2ncccc2C#N)CC1 754919612 QRXSVFKTWHYPIQ-KRWDZBQOSA-N 442.520 1.118 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(OCC#N)cc2)C1=O 771255227 GBLWZYFQORNCSX-HSZRJFAPSA-N 436.468 1.989 30 10 IDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1nsc(N(C)C)n1 771323553 XGMULHSXGHHVSF-HXUWFJFHSA-N 427.486 1.812 30 10 IDEE N#C[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)CCN1C1CC1 777984808 XOCSNKRXOVVWQW-GPHNJDIKSA-N 438.576 1.190 30 10 IDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 780206192 QQJQVPQQXAZNQR-SCLBCKFNSA-N 431.470 1.412 30 10 IDEE N#Cc1cnn2c(O)cc(COC(=O)c3c(C(F)(F)F)nn(CCO)c3C(F)F)nc12 784217670 UBIFFMWOTNVPGS-UHFFFAOYSA-N 446.292 1.809 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(N3CCCCC3)CCN(C)CC2)n1 789037242 DWJRNNLCLIELDW-UHFFFAOYSA-N 430.597 1.625 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccsc1 790435088 XZKLINBBPNFJIL-UHFFFAOYSA-N 449.561 1.883 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 794646376 XKAVMAAZGUWZTQ-MRXNPFEDSA-N 449.557 1.960 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)(n2cccn2)CC1 796385312 RKDMNQJYIYTQRF-GOSISDBHSA-N 428.537 1.808 30 10 IDEE Cn1ncc(-c2csc(=NCc3ccc(S(N)(=O)=O)cc3)n2CCCCC#N)n1 803191857 HIIPULOHLDJDOA-UHFFFAOYSA-N 431.547 1.787 30 10 IDEE C#CCCN1CCN(C(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CC1 810203262 YPQPNIHHUQOGKN-OOJBBXMBSA-N 443.547 1.633 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1/N=C\c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 1082567441 WJHCKBGRAPMEIX-IYJKMCQKSA-N 428.681 1.666 30 10 IDEE COC(=O)CN(CC#N)C(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1136918891 LMWJEMQVWJQJRN-UHFFFAOYSA-N 449.463 1.507 30 10 IDEE C=CC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C(=O)OCC 1138145902 CTAHVYSCRVHKBF-WDSOQIARSA-N 438.546 1.558 30 10 IDEE C=CC[C@H](NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C(=O)OCC 1138145903 CTAHVYSCRVHKBF-YTQUADARSA-N 438.546 1.558 30 10 IDEE Cc1ccc(C(=O)NCCc2ccccc2S(C)(=O)=O)cc1S(=O)(=O)NCC#N 1177354210 LJJZCPQQAGCYJW-UHFFFAOYSA-N 435.527 1.173 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)C1 1177760087 XUKSPPIJYVFJJF-IBGZPJMESA-N 428.558 1.628 30 10 IDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1230419450 FEHKZNIOPGQNTI-LNXOKNDVSA-N 439.578 1.959 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1251517613 XFOHDRZPRDPOJN-HNNXBMFYSA-N 443.533 1.164 30 10 IDEE CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c(C#N)cn1CC 1276336983 XXMWSPSMDSIVRF-UHFFFAOYSA-N 434.474 1.991 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1286448532 XJLIFWWXDCEUCD-LJQANCHMSA-N 425.537 1.717 30 10 IDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1286449147 LYQOBANWSJADJQ-UHFFFAOYSA-N 433.560 1.974 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)CN(C)C2=O)CC1 1286472757 KKHIBJAMOBRJTH-LJQANCHMSA-N 446.353 1.269 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286693607 VZSUIRFGNPKMNY-IRXDYDNUSA-N 440.614 1.544 30 10 IDEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1290090909 BPDQEBQTCGZLEO-AYAKEVCGSA-N 437.504 1.480 30 10 IDEE COc1ccc(COCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1300235596 HXYXECQRPBHIAF-IBGZPJMESA-N 440.504 1.355 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1300409636 IZJHCAVKOAIFKF-HUUCEWRRSA-N 433.500 1.666 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1300490665 AXBYFIPQMRMHHY-CQSZACIVSA-N 434.591 1.980 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1300496422 RDWRTGXFOUHAPY-OALUTQOASA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1300502467 VFCWAMOYVRTNSB-SFHVURJKSA-N 432.571 1.904 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1300539088 XUTXEGWWMOAMHT-GUDVDZBRSA-N 447.605 1.141 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1 1300571641 YAJCXHBXTSJKDN-KRWDZBQOSA-N 431.489 1.620 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)NCC)CCC2)CC1 1300692483 GZRQCVANLVQHGA-UHFFFAOYSA-N 431.544 1.878 30 10 IDEE C#CC1(O)CCN(C(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1301219669 NLXHFODDUDJOSH-ZDUSSCGKSA-N 439.463 1.998 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301262120 QWIWMCXLGXFQCJ-UWJYYQICSA-N 434.541 1.125 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC1 1301422327 HDKCRPQGJFSEAC-UHFFFAOYSA-N 437.548 1.927 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1301508207 GWAUPPCZYHSLOF-UHFFFAOYSA-N 431.566 1.383 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCOCC1 1303379818 RTEIWVMEZQPANG-UHFFFAOYSA-N 425.493 1.378 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)c1 1303638970 PLBHOJHBOLZGAA-LFUKPOHLSA-N 430.530 1.539 30 10 IDEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1307065095 XNPUMLXSRLWOEX-VQTJNVASSA-N 438.532 1.805 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1315872218 GHDZKRUBAFPOOY-UHFFFAOYSA-N 428.474 1.234 30 10 IDEE COCCOCc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1316248487 HEYKDXBVVILHNV-XMSQKQJNSA-N 442.495 1.882 30 10 IDEE Cc1nn(C)cc1C1=NO[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 1354360885 RBDHUQJRTJWZJT-LNUHTHKGSA-N 444.517 1.673 30 10 IDEE C#CCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358935919 XIXAMHXVQKFTPO-HXUWFJFHSA-N 439.582 1.250 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358963879 PJYPCAHBJKDNOX-QZTJIDSGSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358967013 BJBPJZKCHCNXAN-RTBURBONSA-N 432.546 1.829 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCOCC1 1358975818 GATCGGGVBPJPLR-FQEVSTJZSA-N 429.528 1.924 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359081498 CSTKWPOSJYQHBJ-ZDUSSCGKSA-N 429.344 1.601 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)NC)C1 1359091087 JBBBHSCPBNLHBQ-RDGPPVDQSA-N 435.569 1.946 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359135095 RKGZGPDCXQCMDE-SFHVURJKSA-N 439.520 1.329 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1359222428 IKRABQUAZQTTTI-STQMWFEESA-N 441.476 1.249 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359550916 SPTXLKVYXMRMDQ-ZWKOTPCHSA-N 435.532 1.836 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC[C@@H]1C(=O)Nc2ccc(CC)cc21)c1cc[nH]n1 1444199551 MLNVLBMCTLWMSW-AWEZNQCLSA-N 427.461 1.498 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(NC(=O)N2CCOCC2)CC1 1460276805 GXWUWWBPHHSMBE-UHFFFAOYSA-N 437.504 1.189 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@@H](O)CN(C)OC)c1 1466115154 WDZUYAMFJLNFLP-GJZGRUSLSA-N 431.921 1.712 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 1473522359 WECHJPIHZLBKHB-MRXNPFEDSA-N 438.575 1.418 30 10 IDEE N#Cc1cncc(S(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)c1 1475301335 GTXPKRTXSYUSKT-UHFFFAOYSA-N 441.557 1.603 30 10 IDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 1494522029 BBLCPAXUTIHUCA-ROUUACIJSA-N 437.548 1.594 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1503691899 HDDKQKZMQZFJDT-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507523213 JPUVZNZHXJWPSA-QGZVFWFLSA-N 440.548 1.584 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507647626 FHOAYUPWMHGWHK-OAQYLSRUSA-N 427.512 1.423 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN(CC)S(C)(=O)=O 1507686940 IDWQJXKIGQCAHU-UHFFFAOYSA-N 436.538 1.137 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cc[nH]n1 1507772829 VRHHYTMDEBDXJL-HZUJVAHNSA-N 427.509 1.147 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508080478 PDGPBHQQEAJZDN-MRXNPFEDSA-N 444.540 1.426 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C#N)CC1 1508092372 PHHFOXDKAMZOAF-UHFFFAOYSA-N 427.534 1.702 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ncnn2C(C)(C)C)C1 1508109859 VYBNNWCGZSBZSC-INIZCTEOSA-N 428.541 1.690 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC[C@H](CO)O1 1508580200 GVFHPZVPIKTOKT-DLBZAZTESA-N 426.521 1.942 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1515373024 KPMDJMSSNLICGA-KRWDZBQOSA-N 428.489 1.265 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncn(C)n1 1519158142 APTPQSOKFDKJSZ-UHFFFAOYSA-N 434.302 1.579 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1519353052 BYCJXEOJJKEGJZ-PMACEKPBSA-N 427.505 1.864 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccccc2OCC#N)C1 1537807871 WISXORBSLZRKDS-OAHLLOKOSA-N 437.518 1.743 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1538972594 KTGCFCAEIBXQJB-ZNMIVQPWSA-N 442.586 1.650 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539203008 MMKAJNIKMXJGAG-UZLBHIALSA-N 439.651 1.640 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539212263 OHIPZTMLUSBWFR-QZTJIDSGSA-N 431.562 1.813 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1539246093 OFCYFOZPJPJMLC-SFHVURJKSA-N 441.557 1.142 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1539265395 FPCBHYGFTQUQGT-HNNXBMFYSA-N 426.527 1.306 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1539343300 IYTKCVNUVUFICY-ZDUSSCGKSA-N 426.930 1.475 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539626825 GPLHTDXFBZDFQH-ANQUJSFKSA-N 425.555 1.080 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539744758 VVXJQESKMVGSJI-QGZVFWFLSA-N 431.541 1.160 30 10 IDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1)C1CC1 1540107910 FTEFTUAFLJYOCE-JTSKRJEESA-N 449.552 1.893 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3C(=O)CCC3=O)c2)cc1 1540219132 BVMIJCSSZVRTRN-UHFFFAOYSA-N 426.454 1.784 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540907886 LLWDIQMBRKVEDR-SFHVURJKSA-N 434.610 1.592 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542724790 FNUFDGLDAPWJJD-YGCDDZCOSA-N 433.472 1.509 30 10 IDEE CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCN(C(=O)CC#N)CC2)c1F 1545535046 YZFCZPSVPDUAIE-UHFFFAOYSA-N 432.271 1.190 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2c(C)cc(C#N)cc2C)CC1 1546256276 RBBZYGVPVHGZNT-UHFFFAOYSA-N 426.542 1.975 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1555188413 FYCUPXLVPRFISN-BPQIPLTHSA-N 428.449 1.634 30 10 IDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1555992906 DPNXJDXIVZERQV-CVEARBPZSA-N 428.459 1.928 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)C1 1557242033 ZJAPTZOHWBWWLG-MRXNPFEDSA-N 434.468 1.852 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](OC)(C(=O)OC)C1 1557549725 MBOFSXLGNNVFAY-YWZLYKJASA-N 437.518 1.074 30 10 IDEE COC(=O)c1ccc(N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)c(C#N)n1 1559229120 AJDVJMIAUZOYOG-CQSZACIVSA-N 428.489 1.899 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CSC1 1559986084 JNSYHKOOXLRGOO-UHFFFAOYSA-N 433.599 1.059 30 10 IDEE Cc1noc([C@@H]2OCC[C@@H]2NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 1560046576 URXBQDIHFNPHBJ-NLWGTHIKSA-N 428.468 1.346 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588053671 HBGDYTRZFULMBJ-ROUUACIJSA-N 437.610 1.387 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1588185577 JLLCXDCFAZTXSJ-SIKLNZKXSA-N 428.533 1.936 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NC)CC1 1589577558 CQWMYETVTMTZAI-FYQPLNBISA-N 447.580 1.946 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1595218432 JYLNKRHPXKSHFI-OTWHNJEPSA-N 437.610 1.858 30 10 IDEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595434872 ZXLGLVYWXXTUFT-UHFFFAOYSA-N 426.521 1.926 30 10 IDEE N#C[C@@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CCCC1 1598148766 ORAOUSJQXAZBCU-QGZVFWFLSA-N 446.529 1.968 30 10 IDEE C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598482559 DCLJEWNRCAUFGY-ZQNVIIHSSA-N 438.315 1.891 30 10 IDEE CC(C)(C)n1ncnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1611766960 FEPTYRNWMIVLBO-QRWLVFNGSA-N 446.581 1.705 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCO1 1613708840 IBIGLGZFKZPTCD-JOCHJYFZSA-N 434.504 1.975 30 10 IDEE CCc1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)s1 1613848369 COPZEENQLGMVLT-AWEZNQCLSA-N 438.579 1.614 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1618092594 IKMTZWCUFCGDGH-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(C(C)=O)C1 1618543537 CZEAOTIRPRKCHI-LPHOPBHVSA-N 437.548 1.894 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc2O1 1619913440 CSLXMCSJQWDXLC-KRWDZBQOSA-N 440.504 1.607 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1620168812 SPTNZOVVUBOZCI-IBGZPJMESA-N 442.545 1.634 30 10 IDEE CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1623535880 XAXSPLGPGXTWIX-INIZCTEOSA-N 438.525 1.491 30 10 IDEE C=CCn1cc2ccc(NC(=O)N3CCN(S(=O)(=O)N=S(C)(C)=O)CC3)cc2n1 1627664621 WEGCRKZLSNDHGT-UHFFFAOYSA-N 440.551 1.344 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)cc1[N+](=O)[O-] 1628333840 XBDJKXOTXSIQQC-UHFFFAOYSA-N 434.474 1.520 30 10 IDEE CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1629307719 GBDJYODRYBXWGS-UHFFFAOYSA-N 442.465 1.737 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2ccnc(F)c2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1636905276 MKJDWDPTPAONPP-AWEZNQCLSA-N 431.493 1.387 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(C)c2I)c1 1639172969 OQSYLDMLAIYDML-UHFFFAOYSA-N 446.270 1.741 30 10 IDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1639823468 FYFSSXVMXCRREH-HNNXBMFYSA-N 440.504 1.601 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)Cc1ccoc1 1644534391 DVVHNYFSPAGOOU-AEFFLSMTSA-N 433.530 1.844 30 10 IDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cn1 1645239527 KECXDLLDGSPUSQ-LJQANCHMSA-N 443.529 1.789 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(C)cc2OCc2ccccc2)CC1 1650848656 CRCWFEIVGGBHHW-UHFFFAOYSA-N 433.555 1.861 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1 1651503756 WUCSUHPQPSBSKO-QYZOEREBSA-N 449.573 1.423 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)N2CCCCc3ccccc32)cc1 1653080069 ZIOJCZNYWIJCPQ-UHFFFAOYSA-N 425.510 1.959 30 10 IDEE C#CCN(C(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)C1CCN(C)CC1 1674684059 OOGUYXXLPKABOD-UHFFFAOYSA-N 435.569 1.243 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2F)CC1 1681699952 CMAQESCHZUHFKE-UHFFFAOYSA-N 430.933 1.552 30 10 IDEE C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)O2)CO1 1684205891 OBOCGEYVMBUZRB-BLIXFSHQSA-N 448.545 1.301 30 10 IDEE CSc1ccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N 1685180146 IJDIUGYUOICGBT-UHFFFAOYSA-N 445.570 1.959 30 10 IDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1686898945 HMLDPJGHOZDJTR-UHOFOFEASA-N 445.520 1.779 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689860970 MBBKHBPLDQWHPF-MSOLQXFVSA-N 431.562 1.639 30 10 IDEE C#CCCCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1689941063 IVFWQFFLHQOQMB-FQEVSTJZSA-N 439.582 1.109 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689998792 WQLYTOPKCMZMCB-XUVXKRRUSA-N 449.621 1.877 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2C)CC1 1690111622 GIOJVCIVYLETDZ-KRWDZBQOSA-N 448.568 1.334 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690175245 SKWLFBRQKFUZSU-QGZVFWFLSA-N 427.640 1.951 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1690243563 MNNBXAHXWHBRLR-OXJNMPFZSA-N 428.537 1.986 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C 1690255565 STSWUIQNEFUTMW-ORZNMBHWSA-N 433.553 1.650 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)CC1 1690396474 CRAKHPGSMVQNSI-PWFNWSNSSA-N 431.628 1.838 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@H](C)C1 1690672422 RDTDOKRPYIBIMP-ZACQAIPSSA-N 448.568 1.981 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1691108727 BXGOMLJGFWKGSE-HNNXBMFYSA-N 429.525 1.559 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1692346898 ROSYBBDBPGANDT-FXAWDEMLSA-N 439.582 1.752 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(C#N)o1 1692541788 WAXLNHAWDQUIRA-MRXNPFEDSA-N 441.536 1.619 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696380544 YMBJBKMFMXHLQW-YGCDDZCOSA-N 439.520 1.673 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCOCC1 1705489649 SVAJIWUOXSXWCX-MRXNPFEDSA-N 446.577 1.628 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705565858 XDPMSEBNJXDWCP-SFHVURJKSA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705566009 LFWHIJZTXQFNJW-WIYYLYMNSA-N 448.593 1.493 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CCC1 1705588587 BVVOBFAYVYTFSW-UHFFFAOYSA-N 433.578 1.627 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)(F)F)CC1 1705641774 TUNSBZJTCWKCRQ-UHFFFAOYSA-N 426.468 1.364 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705657173 VQXIFPCFUNQBHH-IBGZPJMESA-N 439.566 1.810 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705660525 XMRJNFVMTAILKL-QGZVFWFLSA-N 441.623 1.794 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccn(CC)c1=O 1705668672 RDIWMBQPHPQWFF-FOIQADDNSA-N 432.550 1.110 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705692666 PGJWOURKNWPCSJ-CQSZACIVSA-N 448.387 1.804 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705812252 UYSLKCDFLMSDFM-GJZGRUSLSA-N 442.586 1.958 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705895850 VAGSUULZBNUEBM-CYBMUJFWSA-N 447.337 1.677 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705901688 TZMBSVDIGAHECB-UHFFFAOYSA-N 443.596 1.372 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C1Cc2ccccc2C1 1705938065 LZHXWAIPLKSTEH-UHFFFAOYSA-N 443.573 1.605 30 10 IDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1710734824 PDDQMFKEBVLMAF-QGZVFWFLSA-N 433.557 1.906 30 10 IDEE CN(CC1CCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1711140539 QBSYOXLFGXMKFN-SFHVURJKSA-N 437.504 1.953 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)OC 1712557423 QXRXHXDBBLXATL-SJORKVTESA-N 429.525 1.630 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1712593782 TXXISKILFKHFIO-MRXNPFEDSA-N 434.447 1.440 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1722357865 RXYVAIKCJZIHAZ-CALCHBBNSA-N 446.552 1.367 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1722358069 DGBQQVCIIVHLEV-HNNXBMFYSA-N 427.596 1.186 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722362472 UWALOZOSRUCKGH-KRWDZBQOSA-N 431.562 1.948 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722382263 XMFNLSPENIJDMR-VXKWHMMOSA-N 446.555 1.684 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1722393385 BBDUYKXHNYYNEF-UHFFFAOYSA-N 447.543 1.233 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(S(C)(=O)=O)CCC2)CC1 1722445405 WTQDYPDDPIYGHW-INIZCTEOSA-N 435.594 1.725 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722689944 BYRFBLPKRBQHJS-HZPDHXFCSA-N 425.493 1.233 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(O)CC2)C1 1722709620 UKWRLGBKWZCVKF-LJQANCHMSA-N 432.569 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722726060 YCZCHXWHWHJOOU-UHFFFAOYSA-N 446.577 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1722729344 ZARCHDZYRYOSPN-UHFFFAOYSA-N 439.626 1.626 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1727229563 FNCQDADMNPLOSV-AVRDEDQJSA-N 444.511 1.972 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccco1 1729372312 IAMGHERAXGKEGH-UHFFFAOYSA-N 436.472 1.665 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740553466 SQMGBQDJFQCIRR-OKZBNKHCSA-N 441.557 1.691 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@@H]2C)c1 1740562742 NCWSZMFMCJDYII-PXNSSMCTSA-N 449.559 1.770 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1740618195 DSYMTMNWDDREGY-NQIIRXRSSA-N 427.530 1.604 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)C1CC1 1740643485 MYZGFWPWBPMNMS-AREMUKBSSA-N 446.599 1.877 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2c[nH]nc2C)CC1 1740692240 HGTVBJSKIJYNMW-QFIPXVFZSA-N 427.553 1.350 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2cccc(F)c2)CC1 1740693255 VRONVUJSYZYAMJ-HSZRJFAPSA-N 443.523 1.904 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(OC)CCOC2)CC1 1740693312 XZLDFTKPCILZCG-HSZRJFAPSA-N 441.532 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCCC2(C)C)CC1 1740704924 WNFPPANGAKYVSE-HSZRJFAPSA-N 437.548 1.642 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1740720774 MIXPIBLYXLHPBV-UHFFFAOYSA-N 438.561 1.344 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncn(C)n1 1740726923 UAWGNYBVUHYERG-HXUWFJFHSA-N 425.518 1.518 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740843890 SGMSMVCFTDCBFF-IFXJQAMLSA-N 440.570 1.522 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740959361 SPJFSPIELUXXIO-CYBMUJFWSA-N 442.398 1.076 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740963627 RFQQKYJSCOQHHL-GOSISDBHSA-N 440.548 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1 1740991694 BUYTWPMFAGNHCE-QGZVFWFLSA-N 444.623 1.653 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CC#N 1741284548 CCGZLKHKEAKDAS-MRXNPFEDSA-N 436.524 1.821 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748803535 VXJIINIFMITEEN-LNLFQRSKSA-N 429.496 1.555 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748810109 ZHONRZUUYHEDLF-QGZVFWFLSA-N 428.518 1.449 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1748948732 ULZJFIHWPLVUHZ-UHFFFAOYSA-N 436.520 1.440 30 10 IDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1749023947 AQIPWOBUXLIHTL-UHFFFAOYSA-N 445.545 1.664 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1749033588 JFQJSDYGURHMLJ-CQSZACIVSA-N 437.529 1.627 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749241312 IZGPRURLJGZUEB-HMXCVIKNSA-N 446.596 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749659535 GNYLQJHPJSMYNY-LJQANCHMSA-N 435.532 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749729510 MCXRIRJNGORXEW-AWEZNQCLSA-N 442.538 1.308 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760144967 FUQGEGUSROSIQR-YIOZNXECSA-N 425.555 1.074 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1760187097 TYVRWFTWEREAOP-KRWDZBQOSA-N 431.562 1.945 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760190355 VZSPRLPOFHBSNZ-SFHVURJKSA-N 430.578 1.615 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC1CC1 1760249657 PRCSLLKCHDNEAZ-IBGZPJMESA-N 425.489 1.403 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1760345078 FUTIUTBEHSMRIO-OAHLLOKOSA-N 430.475 1.896 30 10 IDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNS(=O)(=O)CC)CC1 1760385351 RWDUPHFQNCHWLW-UHFFFAOYSA-N 433.534 1.812 30 10 IDEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760434877 PJUOUTKQOUFVBE-OAHLLOKOSA-N 444.923 1.720 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760501189 JATARNASXHWSLS-ZWKOTPCHSA-N 449.577 1.892 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760521573 XKZVSMLHDOFXLX-UHFFFAOYSA-N 444.561 1.110 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1760695307 FOPVBYAACOWPJP-RDJZCZTQSA-N 440.533 1.405 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCO[C@H]1C 1761244584 PPWOXXDXUXSEFI-QYUDBREXSA-N 438.532 1.700 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1761270216 IQSRJWLHSIXOAT-UHFFFAOYSA-N 444.561 1.761 30 10 IDEE CCCNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766232980 KRVUAQFVGSIXRZ-UHFFFAOYSA-N 446.515 1.715 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1766262384 IDXXARBJUVIDNJ-VSOVRNOCSA-N 438.532 1.852 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1OC 1768531322 LGXBPKLKMZJAAL-YJBOKZPZSA-N 440.504 1.606 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1769156910 KAZAHNITBWCHBL-UZUQRXQVSA-N 435.532 1.694 30 10 IDEE CC[C@H](C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772789688 DFONCBDKVFHODM-SJCJKPOMSA-N 441.465 1.894 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)CC2)c1 1849058697 XRDCMJJPQPXXEW-UHFFFAOYSA-N 443.463 1.859 30 10 IDEE C=CCN(C(=O)COc1ccc(I)nc1OC)[C@H]1CCN(C)C1=O 1849212283 BFCPKUQPLKFFRL-NSHDSACASA-N 445.257 1.319 30 10 IDEE CS(=O)(=O)N[C@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)C1 1850827581 ORUHVFVKSKIRKS-KRWDZBQOSA-N 445.520 1.612 30 10 IDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)CC1 1855985337 VCSOUEHOXOGSFZ-HUUCEWRRSA-N 427.402 1.883 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)CC1=O 1856806350 ZSTJJPFEWLZWPO-DOTOQJQBSA-N 436.530 1.866 30 10 IDEE COc1cc(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc(OC)c1OC 1858304612 JFYPOITWDKLTOD-MRXNPFEDSA-N 445.497 1.777 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCN(C)C 1870549925 MZLQKCWHSZVDSI-OAQYLSRUSA-N 446.592 1.600 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871714872 FJAYETORNVPJGP-UHFFFAOYSA-N 425.537 1.477 30 10 IDEE C=CCOc1ccccc1OCc1nnc(SCC(=O)NCCN(CC)CC)n1N 1874554868 XNJOPSSESLHDTL-UHFFFAOYSA-N 434.566 1.686 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCC#CCN1CCCCCC1 1890403917 RQZUXFQGFNCLDT-UHFFFAOYSA-N 442.379 1.723 30 10 IDEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CN(c3ccc(OC)c(OC)c3)C(=O)O2)cs1 1891372287 VBTSPHDEJDVFNQ-ZDUSSCGKSA-N 446.485 1.831 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C[C@H]2C1 2054377679 CEKWOCSLLQUVQC-NWDGAFQWSA-N 438.344 1.035 30 10 IDEE C#CCN(CC(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2244376041 PBZHECRNBPEZNA-NRFANRHFSA-N 425.526 1.735 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2247902781 BTYDASWOGKIPIZ-GJZGRUSLSA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247919965 SRTONGXFVSXENB-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2248416475 SRLKLIMBOVACMI-SECBINFHSA-N 448.301 1.746 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825638 CNICEUFAWBRZPV-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE Cc1cc(S(=O)(=O)NCC(=O)NCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2255931392 KLMVCSVEDGEECI-UHFFFAOYSA-N 444.362 1.889 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256729437 ROCSMMKTPUHGKT-HRCADAONSA-N 438.330 1.118 30 10 IDEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267113718 XZNGUQCJBDYIEU-ZDUSSCGKSA-N 449.361 1.490 30 10 IDEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267524776 VFKCRZADUSCRPW-GOSISDBHSA-N 435.337 1.569 30 10 IDEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 2296098915 LXOWYNDEOOISHQ-NRFANRHFSA-N 447.495 1.792 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)c(C)n1 2296620590 LVQRDRYTPDRXQI-FQEVSTJZSA-N 437.500 1.632 30 10 IDEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)cc1O 2328682417 VJRHVDCRNHYADC-UHFFFAOYSA-N 427.486 1.943 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc2c(c1)OCCO2 2330743675 PDAURPYOBJXUMH-UHFFFAOYSA-N 432.506 1.186 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 13105058 YPFFYDZJGZKJGQ-UHFFFAOYSA-N 437.407 1.526 30 10 IDEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3ccc([N+](=O)[O-])cc3)n2N)n1 20292061 OZAZZQDZUVGIKY-UBKPWBPPSA-N 433.479 1.842 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1C[C@H]1CCCO1 460936571 QQRMGBCZTBDSGH-DLBZAZTESA-N 431.504 1.896 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@H]1CCCO1 486841611 OUJUMHQDIXUCBH-OAHLLOKOSA-N 449.935 1.911 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CCO1 490423663 QMVNDSUTZFLROP-DBXWQHBBSA-N 447.488 1.636 30 10 IDEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 502448515 AVQFRTXFZGDGJC-UHFFFAOYSA-N 442.545 1.672 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 508800096 DNPNIBCWHUTDBM-OAHLLOKOSA-N 437.508 1.940 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 508809690 MVFXUBXEPNPYHO-DEOSSOPVSA-N 449.559 1.139 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 518595974 OKZJDXZCUVVASS-CQSZACIVSA-N 433.480 1.396 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)o1 523305871 PJAXBETZYZJNMO-UHFFFAOYSA-N 427.526 1.016 30 10 IDEE C[C@](C#N)(NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]2CCCC[C@H]21)C1CC1 550091573 VYYBMZYYOSJXSR-DVJXIFHOSA-N 440.592 1.532 30 10 IDEE COc1ccc(Cn2ncc3cc(C(=O)N4CCN(C(=O)CC#N)CC4)cnc32)c(OC)c1 564264296 MBRTYIIATCMGCG-UHFFFAOYSA-N 448.483 1.695 30 10 IDEE C#CCn1nc(CNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)c2ccccc2c1=O 585170805 QXFGTWKKKHQNJI-CQSZACIVSA-N 447.520 1.428 30 10 IDEE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 609459050 OWUABRSMBIIBGF-GJZGRUSLSA-N 437.522 1.732 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 609691645 CZUDLZNSZHHEIH-UHFFFAOYSA-N 442.522 1.802 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)CCN2C1=O 610776393 AMQBUNPTPKIXDI-HIFRSBDPSA-N 429.502 1.514 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Cl)s2)c1=O 623010672 SYZDWAJRKGZYEN-UHFFFAOYSA-N 435.958 1.585 30 10 IDEE N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCN1C1CC1 732650306 NDZHWMZRLZGUKL-HNNXBMFYSA-N 438.937 1.173 30 10 IDEE COc1cc2ncn(CCCC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c(=O)c2cc1OC 732650449 ROTCZIXPYSVVTF-INIZCTEOSA-N 425.489 1.393 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 733832329 IYAYBZGGHXBVTR-MRXNPFEDSA-N 435.392 1.918 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(-c2ncccn2)c1 737981247 SWQQQYFVACMQPS-MRXNPFEDSA-N 439.501 1.898 30 10 IDEE C[C@H](CC(=O)N[C@@H](Cc1ccccc1)CN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742567408 ORPWHBSUMWUPII-AEFFLSMTSA-N 428.558 1.793 30 10 IDEE Cc1cc(C)n2c(C=NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc2n1 755697061 DXDVIAQMQIDJFU-UHFFFAOYSA-N 427.534 1.728 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 757168846 NDPYMYKIFQXXJP-INIZCTEOSA-N 442.541 1.909 30 10 IDEE CN1CCC(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)(N2CCCCC2)CC1 758541078 WQFZVAMNWPLCTG-RTBURBONSA-N 448.612 1.995 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cnn(CC)c2)C1 760321370 PNJWABKSEWSBOH-JKSUJKDBSA-N 447.565 1.307 30 10 IDEE CCc1cc(Br)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 764261567 HHGGCRYNNUEVPM-FOCLMDBBSA-N 435.278 1.593 30 10 IDEE C#CCN(C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 774055724 ZHECFCCVJUAJNN-CQSZACIVSA-N 448.950 1.418 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 774254465 XDYVYSYCTXGUMK-MRXNPFEDSA-N 437.541 1.303 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774261656 JHPCTJUTSRAXHI-MZMPZRCHSA-N 441.912 1.583 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)c1 783464304 BMHHUIZUDOCMLX-UHFFFAOYSA-N 431.452 1.770 30 10 IDEE CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 787070386 VZMPHQRXHGJIFP-IRLDBZIGSA-N 444.491 1.830 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 792888882 FKXISKAPFABVSK-UHFFFAOYSA-N 438.569 1.097 30 10 IDEE C[C@H](C(=O)OCC(=O)Nc1ccc(I)cc1)n1cnc(C#N)n1 798743901 MNHQFCLEJGCZEY-SECBINFHSA-N 425.186 1.497 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800782930 KHYDYRXWABYLDF-GOSISDBHSA-N 448.549 1.250 30 10 IDEE C#CCN(C(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 806468647 DSOFIMTXRLKBCY-BFYDXBDKSA-N 428.518 1.884 30 10 IDEE C=CC[C@]1(C(=O)NS(=O)(=O)CC(C)(C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 811139308 LSSDFSFTGRQEIA-LJQANCHMSA-N 432.539 1.977 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 812055177 WJSGYDRHXHFJSC-IBGZPJMESA-N 441.557 1.384 30 10 IDEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812426366 CKRMWGGNCVJDRA-HQRMLTQVSA-N 442.541 1.618 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CC(C)C 837699438 XUYIOJZJBSKNAN-UHFFFAOYSA-N 436.541 1.176 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)CCN1C(=O)COc2cc(Br)ccc21 915520393 YIVHEKWRAIRLPJ-UHFFFAOYSA-N 440.250 1.120 30 10 IDEE COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1136671877 UKDDFIPWSJLRIQ-DMEQXSTQSA-N 444.488 1.904 30 10 IDEE C=CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCOCC1 1146466031 QQBNCLMMCAQWKN-IKGGRYGDSA-N 442.578 1.898 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 1152967882 UHSJSMPTAMEBBC-HHXXYDBFSA-N 447.557 1.124 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)CC1 1152967974 WNLYUUJHFUEQJY-UHFFFAOYSA-N 435.546 1.127 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@H](CC#N)C3)CS(=O)(=O)[C@@H]2C1 1166384501 HUXSIEYIXDWQBD-QBPKDAKJSA-N 425.551 1.809 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1180362841 KKWDUYUWPCUHPQ-WMZOPIPTSA-N 435.502 1.684 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C)c(Cc3ccccc3)s2)CC1 1208922355 CNNCZJUFOBWIDC-UHFFFAOYSA-N 433.559 1.659 30 10 IDEE C#C[C@H](CC)NC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1229531092 HPXNYUGIHIBASK-KBAYOESNSA-N 433.553 1.975 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NCc2nn(C)cc2I)n1 1248670494 KZLAEMLUHIVUFG-UHFFFAOYSA-N 426.262 1.586 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286394930 QGFLZDTWPKHNGF-ICSRJNTNSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC(C)C 1286432134 YFVFYRCUSNQYGR-UHFFFAOYSA-N 434.548 1.440 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)CC1 1286491753 AGNXLBYJVSOEIE-UHFFFAOYSA-N 448.527 1.731 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1 1286537695 HWJMNZQQDVIGAW-HUUCEWRRSA-N 441.374 1.685 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2CC1 1286787048 BGBNDILSSLJHKR-SFHVURJKSA-N 429.546 1.088 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1286811656 DCOADFMDEALBNR-SLFFLAALSA-N 446.596 1.681 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1288981601 FYPZUHBVJUDTDI-GHTZIAJQSA-N 443.577 1.675 30 10 IDEE CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1299676724 HVHRONOYMPQPDW-ZWKOTPCHSA-N 438.536 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1300274081 UHVRWXBBAJITFW-YIOZNXECSA-N 425.555 1.074 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1300365531 YNDAFSIWJFFYCC-GOSISDBHSA-N 446.577 1.602 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1300496700 UDNSWIXFRVBWMX-GJZGRUSLSA-N 432.493 1.428 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300497405 BBXNSRWSTMKBQP-GOSISDBHSA-N 438.594 1.689 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300500714 CJZISNJBUFUYAU-GHTZIAJQSA-N 436.578 1.443 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1300506160 NRRWTXULTYROCX-JOCHJYFZSA-N 448.571 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1300578862 QDOGCTWDSXIBQW-IBGZPJMESA-N 440.569 1.919 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCOCC)CC1 1300688506 GSKNJXOLXCBJAP-UHFFFAOYSA-N 429.521 1.763 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1n[nH]cc1I 1301170141 AVBYKFHQDYGJNZ-MRVPVSSYSA-N 445.242 1.191 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2sc(C)nc2C)C1 1301537505 BFNRHXDELYXTLE-UKRRQHHQSA-N 440.595 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1301589881 ZGCJDHTWGNUVPA-UHFFFAOYSA-N 425.599 1.915 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1301854304 VAHFBCVZSMXHSW-XXBNENTESA-N 438.532 1.975 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1302502649 JXZKNLONTHJERT-PKTZIBPZSA-N 438.532 1.852 30 10 IDEE NC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1303036932 WTAZKZXSNSZFIO-VZCXRCSSSA-N 441.536 1.239 30 10 IDEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1315409442 AMJRZRRKDDQDRJ-LEWJYISDSA-N 445.545 1.633 30 10 IDEE COCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1349137667 SUUVAOWBAMTVAD-JKSUJKDBSA-N 431.555 1.626 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1358918905 KTEDSHVWZGYJOG-GOSISDBHSA-N 430.553 1.438 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1358965206 PZTQYDPTNRRJMB-GOSISDBHSA-N 429.546 1.196 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1359035514 WGCHYFXZABMEDU-UHFFFAOYSA-N 444.580 1.985 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1359044839 PROIPNWEPJEBDA-UWJYYQICSA-N 437.544 1.849 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359055789 PLMGKNKCFPBUPZ-UONOGXRCSA-N 430.500 1.668 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359121431 PGQCLCDWKQSOHJ-RBUKOAKNSA-N 431.585 1.037 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359228588 HKHIHDAJHSXGFY-MRXNPFEDSA-N 431.497 1.263 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H]1COCCO1 1359854290 SISXXTQGHMLJJV-LJQANCHMSA-N 425.537 1.875 30 10 IDEE CC(C)CCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359911486 SXVSKQSVOQCSMP-HTXNQAPBSA-N 429.525 1.523 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(=O)nc1O 1442761018 CJGYBGIGGNLKPS-QGZVFWFLSA-N 431.880 1.054 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCC(n3nncc3I)CC2)cc1 1453435649 UOIXTERPFJFMOJ-UHFFFAOYSA-N 437.241 1.997 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)c1 1453987722 MOZGPWYUWHDDEK-QGZVFWFLSA-N 428.470 1.674 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2C(=O)OC)OCCCO3)cc1 1454727315 AMJAEUJCQQDBKP-UHFFFAOYSA-N 444.465 1.798 30 10 IDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)c1C#N 1470978113 GRXQHUPMIYUWKK-GOSISDBHSA-N 441.561 1.451 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)CC1 1476009039 AABZIYGWWBBOII-UHFFFAOYSA-N 441.557 1.940 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CCc3ccccc3)n1CCOCCCO)C2 1505318430 WYOXGKQHCHKOHS-UHFFFAOYSA-N 448.527 1.997 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507623675 VMORIDXEIAFOBJ-OAHLLOKOSA-N 439.582 1.727 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507629231 ROKFOMXBNXHVCK-INIZCTEOSA-N 434.518 1.015 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1508145743 PBGKFEIMKKQNRF-UHFFFAOYSA-N 435.510 1.071 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1 1527665571 KZAPZVMYCGLSGU-JLPGSUDCSA-N 427.490 1.970 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2c[nH]nc2C#N)c1 1530153184 LTFGRPCVOUAOID-UHFFFAOYSA-N 445.242 1.389 30 10 IDEE C#CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@H]1CCS(=O)(=O)C1 1530298239 WVQQZIZMTDJORH-AWEZNQCLSA-N 427.313 1.896 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1539223994 BDIJCRGQIASBRN-MRXNPFEDSA-N 435.575 1.509 30 10 IDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1539258203 TYIVQFOFUDZCHQ-UHFFFAOYSA-N 425.514 1.560 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCN(C(C)=O)CC1 1539291721 XBOONEUKIGMLEL-UHFFFAOYSA-N 448.571 1.711 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCN(CC)CC)CC1 1539436663 YQVFJNXDRGLZMW-UHFFFAOYSA-N 448.579 1.408 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539447956 ZQBLUJABRJYPOC-RTWAWAEBSA-N 430.597 1.284 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OC)C(C)C)CC1 1539469634 SMSZSAZTNXCHDO-WMZHIEFXSA-N 447.580 1.567 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1539981715 JAUKNNXXACIADC-JKSUJKDBSA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540868867 UPLSKFRVIUUZHX-LJQANCHMSA-N 430.472 1.487 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1540905092 SHZFHXRMZVFTAL-HKUYNNGSSA-N 431.562 1.870 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1541085243 XCJNHHWVKFJPCP-OAHLLOKOSA-N 447.565 1.317 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1543103932 PHYLDVUZNDKXEP-SFHVURJKSA-N 443.548 1.706 30 10 IDEE CCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1547680181 DCHRWZWQQQECFO-HDMKZQKVSA-N 427.550 1.205 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O)[C@@H]1CCSC1 1552925006 ZWKUGFCBKIGRRQ-QGZVFWFLSA-N 435.575 1.820 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1555992840 COBTXROKWLWAFF-MOPGFXCFSA-N 442.495 1.746 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Cn2cnnc2)CC1 1557381660 HYMDMBYTZRRKBM-UHFFFAOYSA-N 444.561 1.816 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1[N+](=O)[O-] 1559063031 YEQLZRQTDRKSAF-UHFFFAOYSA-N 430.442 1.749 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCCN(Cc3ccccc3)c3ccccn3)C2)c(=O)nc1O 1565306081 HVFXTWGKJFTLBR-UHFFFAOYSA-N 445.483 1.489 30 10 IDEE N#C/C(C(=O)N1CCOCC1)=c1\s/c(=C\C=C\c2ccccc2)c(=O)n1-c1ccccc1 1565531637 BFNYSMAFFXDMHE-WMKCPDQGSA-N 443.528 1.926 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 1569241194 RBCALKZFTXLIED-INIZCTEOSA-N 427.482 1.015 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(n2cc(N(C)C)cn2)CC1 1569685272 IRVMWXXAIKUXKY-OAHLLOKOSA-N 430.534 1.351 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588068875 BIMYITWXXHOHGN-HHXXYDBFSA-N 425.514 1.936 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1588113933 VWLJPFSQRCXFOL-XMMPIXPASA-N 437.544 1.882 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1588263589 VLWKOAHTFHPWMK-IBGZPJMESA-N 446.529 1.017 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)CC1 1588805798 BOGIGGWWOUKCHV-GOSISDBHSA-N 430.459 1.342 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1589117229 WDGDGVWTMQRVGQ-INIZCTEOSA-N 431.566 1.579 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1 1589568505 JYWOIHCMYKFCHH-JXFKEZNVSA-N 438.523 1.769 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1593741900 ZUXSSWPQQQLWLT-RBUKOAKNSA-N 446.596 1.554 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1594992596 LOIPXYIHZRTHNJ-SJORKVTESA-N 436.582 1.227 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1595219137 QIBQGORTFSIMAF-KRWDZBQOSA-N 437.566 1.837 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)Br)C1 1595722531 KSHNPNSDMLMDRS-UONOGXRCSA-N 431.356 1.870 30 10 IDEE CC(C)(C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1597079036 VSJKVTBDSFKTJF-ZCXUNETKSA-N 441.536 1.209 30 10 IDEE N#C[C@@]12CN(C(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1611159355 LDBYESJEZOMPJB-AVRDEDQJSA-N 445.541 1.091 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1612486755 PSSZPANXQMJGFA-YKRJHPGPSA-N 438.536 1.758 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)c1 1618616007 ZIFJWJZOBCBVHN-QAPCUYQASA-N 428.493 1.139 30 10 IDEE COCCN(CCC#N)c1nnc(C2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1619912571 GWLFBGSKBDKWQU-UHFFFAOYSA-N 425.555 1.242 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(C)(C)O 1620017697 SVGCKPCCPHQFIB-QGZVFWFLSA-N 443.552 1.756 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(C)=O)c1 1620025457 PZROSBGMGAEAKG-KXBFYZLASA-N 428.493 1.738 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CC1 1620172061 RMQLYLAZKCTGFI-UHFFFAOYSA-N 446.577 1.887 30 10 IDEE CS[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1620189201 BVDFYLDIZLNHTR-CABCVRRESA-N 443.581 1.545 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1 1621721023 ZSSWHXOTIXDTNZ-UHFFFAOYSA-N 425.551 1.496 30 10 IDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1623969843 UUMLZEYTSWZDEG-UHFFFAOYSA-N 443.909 1.184 30 10 IDEE CC[C@H](C#N)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1629389456 ADXVQMLRHAOXTJ-CQSZACIVSA-N 428.352 1.917 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCCn3cc(Br)ccc3=O)C2)nc1 1635727721 DAVXBELRZAMRNA-HNNXBMFYSA-N 432.278 1.740 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)C2=O)cc1 1639194490 RFIKHQKBSZWIJI-NTKDMRAZSA-N 445.479 1.419 30 10 IDEE Cn1cc(C[C@H](CO)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1640524323 PXYCOGYELXKBGQ-AWEZNQCLSA-N 432.322 1.458 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1641075599 DLZKTYMPTDUHQZ-MOPGFXCFSA-N 435.546 1.150 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1641764940 WZISMHLWBJHEGI-VGSWGCGISA-N 439.553 1.712 30 10 IDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)C1CCOCC1 1641857666 GCLFJLQJROUTHD-SJORKVTESA-N 440.587 1.832 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CCOC2=O)CC1 1642190216 FHMALSRWIQMFFM-KRWDZBQOSA-N 448.545 1.727 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)CSCC#N)CC[C@H]32)CC1 1642785442 QEQZGIBQBACPIR-HZPDHXFCSA-N 437.566 1.637 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1645667302 XWFAHTWJGUCCSY-OAHLLOKOSA-N 445.545 1.398 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2ncccc2N2CCC[C@H]2C1 1646919073 ULKKBKKVMNJFQY-WBVHZDCISA-N 425.514 1.631 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1647908871 AKNTZYHGPHDEKQ-QWHCGFSZSA-N 441.916 1.217 30 10 IDEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)cc21 1648046399 XBWKZJKISMNFTQ-OAHLLOKOSA-N 439.497 1.861 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3nc(C(=O)OCC)n[nH]3)ccc2c1=O 1651140807 CHAAJXIOZKTWQT-JTQLQIEISA-N 428.474 1.657 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO 1653329137 ADXGPEXGSGCYOV-IPMKNSEASA-N 448.589 1.197 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1654984129 GPYNBEQQHAZHND-UHFFFAOYSA-N 429.565 1.834 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3c(C#N)cccc3[N+](=O)[O-])cc2)CC1 1655139557 NUNRSUBBAXCYMJ-UHFFFAOYSA-N 430.442 1.976 30 10 IDEE NC(=O)CCc1nnc(SCC#CCN2C(=O)c3ccccc3C2=O)n1Cc1ccco1 1656205836 QQIAEVZNRPLRSD-UHFFFAOYSA-N 449.492 1.729 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 1669685281 BROLZKNEZNCFIV-UHFFFAOYSA-N 444.517 1.540 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1684426394 WDXYRZQBMJCMPJ-QGZVFWFLSA-N 437.541 1.025 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689992694 NVDNTEOMTKSRER-RTBURBONSA-N 435.594 1.362 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1690101235 SVSIZPBJPMOXFK-QHCPKHFHSA-N 438.532 1.922 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690153863 DXOZROLAAGZYOT-KRWDZBQOSA-N 426.546 1.933 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690722929 BBVLHJKYFWTMQI-CVEARBPZSA-N 433.490 1.363 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690729142 HKXGDIMUICPSOJ-RTBURBONSA-N 448.593 1.746 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1696046151 GWFVBRUUNYAVIE-GCJKJVERSA-N 432.569 1.781 30 10 IDEE CN(C)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1696608867 BHJWETUNGZQNCR-FUHWJXTLSA-N 430.534 1.023 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1snnc1C 1696913682 ICNKFLAETUVRAV-CYBMUJFWSA-N 440.533 1.755 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@@H]1O 1698442776 MVXONXIYRUQLMW-UXPWSPDFSA-N 427.505 1.741 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCCO)CC1 1698488496 IWDNBIPIWCVZMU-IBGZPJMESA-N 437.548 1.980 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1705552421 YPRCARMRHUTNQX-GOSISDBHSA-N 449.602 1.592 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1705565669 JJVHAQUVZNGWGP-QGZVFWFLSA-N 445.545 1.472 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705604933 WZCUPTKKFIRYBW-CABCVRRESA-N 442.586 1.651 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)[C@@H](C)CC 1705612458 HDDIHMPMRIMOIY-BBWFWOEESA-N 427.571 1.132 30 10 IDEE C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705807892 REAMDPHENLHUBN-HNNXBMFYSA-N 444.486 1.650 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1705819599 PKZSHWCEWZCWCA-ROUUACIJSA-N 438.598 1.252 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705835048 YJFFKWZABZTMRE-HOTGVXAUSA-N 432.550 1.564 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1705843734 MOKGBHKLIBUESX-APWZRJJASA-N 441.623 1.010 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1705880071 SZHDSLCXZAGPCH-INIZCTEOSA-N 435.550 1.487 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705902597 HYTNCFMLDYPLRZ-DMPWYTOCSA-N 446.552 1.925 30 10 IDEE CC1(C)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706945791 FIYFVYCSTMIMRW-RMYFCYLKSA-N 427.509 1.382 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1710894632 RSPDXNKMZFCCEL-HNNXBMFYSA-N 443.533 1.485 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722320035 ROYPAYLPXCAIMO-UXHICEINSA-N 428.581 1.718 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1722328176 XSISXUQRXBFJMQ-HXUWFJFHSA-N 449.563 1.881 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722358856 MQYGFVKCMBNSBU-QGZVFWFLSA-N 449.602 1.933 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722367779 XRTMYGWDCSWYAF-LJQANCHMSA-N 430.578 1.231 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1722391284 ZTQYSMVSBDHRLC-OAHLLOKOSA-N 435.500 1.872 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCn1cc(CO)nn1 1722418646 XZJWEMYEYAYQNG-UHFFFAOYSA-N 449.494 1.632 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722615550 TUELGMUUPUOCIJ-INIZCTEOSA-N 427.509 1.891 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722693298 JJZURZDOBMRJKB-ZHRRBRCNSA-N 427.505 1.640 30 10 IDEE CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1722919004 ACMBTHYWDSXOGY-QGZVFWFLSA-N 432.550 1.617 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1727193749 PGRRZIJJUOEPJJ-TUPYQCFKSA-N 443.552 1.958 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1730900236 JIUNIBYSASPKTP-PMACEKPBSA-N 427.505 1.864 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1730900428 LFQYPLQPZZFHEJ-UHFFFAOYSA-N 433.534 1.493 30 10 IDEE CS(=O)(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1731006011 MUCJZKJSGZOPTJ-LJQANCHMSA-N 444.561 1.763 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1740545553 AWIWXDAOBGUZCC-FUHWJXTLSA-N 447.543 1.908 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1740621219 UVODJWIGFXTWEG-GBESFXJTSA-N 444.557 1.420 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740721121 XMLSDIBOWFBQQK-KRWDZBQOSA-N 444.586 1.506 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740844135 WOWURLVLYYDZFR-OWCLPIDISA-N 429.587 1.731 30 10 IDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740888459 SLVYEIGWVAZQSW-UHFFFAOYSA-N 434.585 1.633 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ncccc2F)CC1 1740958496 BKFYJIODOCFIRD-UHFFFAOYSA-N 437.483 1.288 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1740963897 AKLIXGJQCCBMMY-UHFFFAOYSA-N 446.483 1.577 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@@H](C)N1CCCCC1 1741903970 GHCUCUZIESLTLM-BBWFWOEESA-N 425.603 1.891 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)CC1 1746458380 GUBIDQQGQRFXFM-RBUKOAKNSA-N 430.601 1.384 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C(=O)OC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1746681714 PPRJAWWNYHMUGG-NRFANRHFSA-N 429.477 1.833 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1748929102 CTBCMWKUYFMGRL-LJQANCHMSA-N 447.561 1.265 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1748989485 MJCJZJBHGOJQFT-OPYAIIAOSA-N 435.594 1.283 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2F)CC1 1749000902 DATKSNYKDKNJMR-UHFFFAOYSA-N 426.496 1.570 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1749494623 VGYSKLWBMLZHIA-AWEZNQCLSA-N 429.543 1.253 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1749649961 DMRPQVVJXPYWGQ-UHFFFAOYSA-N 430.472 1.736 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749756246 VJLZIHJPJPIBBE-HUUCEWRRSA-N 448.636 1.113 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1Cc1ccc(C#N)o1 1750972008 HFVPAZXELKLPTI-HNNXBMFYSA-N 427.490 1.964 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1751273061 NFCQGPFAEYRNIV-NYHFZMIOSA-N 436.520 1.970 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)CCC2 1751729737 GKDANLYJHJVGCS-XHSDSOJGSA-N 434.570 1.709 30 10 IDEE Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)s1 1751864380 QEAHFJDUBVFZNY-NWDGAFQWSA-N 426.572 1.277 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCCOC 1760173522 ADDVNKMUNHKFKY-QGZVFWFLSA-N 437.541 1.709 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1760216204 DYTHDBKTBUFWHT-DEOSSOPVSA-N 430.512 1.816 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1760219390 CUZOPCGRIOMCNX-KRWDZBQOSA-N 439.607 1.216 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)COC(=O)N2 1760360623 HXNLQNAAUXBZNK-IRXDYDNUSA-N 435.525 1.674 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCOCC2)C1 1760547982 VOOBUFXLPRVJSM-HAGHYFMRSA-N 435.569 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC2(CC1)COC(=O)N2 1760553126 LVECREVKSZWJLJ-UHFFFAOYSA-N 445.545 1.933 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1760655058 BOBHNJCNMZRTTN-TZIWHRDSSA-N 438.532 1.975 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC(=O)N1C 1763177090 AQHWMWDEWBKYSQ-SFHVURJKSA-N 435.532 1.658 30 10 IDEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766055753 ICBGHEKQXCGHSB-HNNXBMFYSA-N 432.525 1.928 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@@H]1CCOC1 1767932226 KJMDUTDEVHLGAY-LJQANCHMSA-N 441.536 1.603 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1769706050 WCGBPJWWELWHAM-IPMKNSEASA-N 434.585 1.894 30 10 IDEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1 1770921203 VFDOCFRZSRWWGE-UHFFFAOYSA-N 447.561 1.741 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1771113464 VYSLVJHMEALDLU-SIKLNZKXSA-N 443.552 1.844 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CC1 1771220152 VOXFJHDZQKEFPV-JKSUJKDBSA-N 426.525 1.789 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)C[C@@H](C)O1 1772791440 UKOQDIQZCPYJCJ-ZIAGYGMSSA-N 444.465 1.853 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772794529 OJQGHLVDMSLTOU-GFCCVEGCSA-N 438.458 1.023 30 10 IDEE CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCC#CCN1CCc2ccccc2C1 1852570117 AIEYDSBWJJCSQH-JOCHJYFZSA-N 425.554 1.325 30 10 IDEE N#CCCOCCN1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 1852835340 BHKNACRJSUIBCR-UHFFFAOYSA-N 449.314 1.528 30 10 IDEE C=CCN1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C(=O)C12CCCC2 1856262073 SSVMBYVEZQQFQS-UHFFFAOYSA-N 431.514 1.391 30 10 IDEE CCc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)s1 1858323096 DMCBFJKOAAEDJE-CQSZACIVSA-N 425.557 1.924 30 10 IDEE C#CCOc1cn(CCOCCO)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871007615 KFVAJTWHHJWEEC-UHFFFAOYSA-N 440.544 1.233 30 10 IDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541233 YCJTYMIMVFGLCR-UHFFFAOYSA-N 449.519 1.191 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCCCCCO)sc2c1CCC2 1872649666 JEKVDAOTBYKYRV-UHFFFAOYSA-N 433.490 1.330 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CC2)CC1=O 1872917811 LFPQMHKIGYYAQQ-OAHLLOKOSA-N 430.461 1.815 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCC(CO)CC3)ncnc21 1873594525 VJRUVEXHGWLLDU-UHFFFAOYSA-N 442.564 1.278 30 10 IDEE CC#CCN(CC(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1900626381 SAFSPMFVKHCNRU-HOTGVXAUSA-N 425.526 1.733 30 10 IDEE C=CC1(NC(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993257553 GPUCRGJQIKSRGB-ZDUSSCGKSA-N 429.489 1.598 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060623865 RNYRJCOPFZKMQK-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE C=CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(Br)c1=O 2126911868 WOFPXSMRPHPZTI-CHWSQXEVSA-N 429.315 1.974 30 10 IDEE C=CCC1(NS(=O)(=O)c2c(N)cc(Br)cc2Br)CNC1 2191706262 HOJBFWZYKVZODL-UHFFFAOYSA-N 425.146 1.990 30 10 IDEE C[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247951733 KGKMUNTXLCNOIO-HNNXBMFYSA-N 435.355 1.291 30 10 IDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255626974 MIWYLIYXTLXSNJ-VIKVFOODSA-N 432.330 1.646 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCOC1 2255705085 PWALRWDDIQHATR-NRFANRHFSA-N 436.314 1.992 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)[nH]n2)OC1(C)C 2256928088 PPHUJKIHTAOEHN-OAHLLOKOSA-N 429.282 1.499 30 10 IDEE Cn1nc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)cc1B1OC(C)(C)C(C)(C)O1 2258238858 RBKBASCJJTYDFH-UHFFFAOYSA-N 430.236 1.002 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267518941 DRXRYKZLJMYGMS-SFHVURJKSA-N 439.369 1.255 30 10 IDEE Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267519910 KNIWTGNXIDGETC-GOEBONIOSA-N 446.357 1.801 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267523453 BOAJGLAPOKCMMO-IMJJTQAJSA-N 446.357 1.940 30 10 IDEE CO[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2267536398 JEWFIULMVXFZGP-GJZGRUSLSA-N 448.329 1.140 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2267604773 IIGSKADXDNDIEN-SFHVURJKSA-N 438.337 1.407 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2267878654 AUBJQESBUDQNID-UHFFFAOYSA-N 442.247 1.307 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2CSCCSC2)OC1(C)C 2282490550 IFEWLQHIZFXCTI-UHFFFAOYSA-N 436.455 1.710 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)NCC2CC3(C2)OCCO3)OC1(C)C 2282831609 BIKOHRHLHYBODE-UHFFFAOYSA-N 427.303 1.556 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC([C@@H](C)C#N)CC1)NC(=O)OCc1ccccc1 2286025464 GPEVAVYFTIGAKU-MAUKXSAKSA-N 437.518 1.656 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)NCc1cccc(C#N)c1)NC(=O)OCc1ccccc1 2286030569 BRZKZRNHYQHONS-GOSISDBHSA-N 431.470 1.446 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)cc1F)NC(=O)OCc1ccccc1 2286032300 BZMPOUSFTXRFAR-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE C=CCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 1306132 IUXSZQFDAHPQDN-FYWRMAATSA-N 427.555 1.834 30 10 IDEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(OC)c(OC)cc21 13789740 ZLSZTWHJBVGFLU-FMQUCBEESA-N 437.543 1.452 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)N(C)c3ccccc3)o2)c1=O 101350889 PHHJQAKMSPESDT-UHFFFAOYSA-N 427.486 1.760 30 10 IDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 462397062 LTCKOXXPVOCWPW-UHFFFAOYSA-N 435.527 1.700 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3c3ncccn3)CC2)c1C#N 473008284 JLSAAIVDKDVBAV-HOJAQTOUSA-N 434.548 1.877 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 481534887 YSHTWWKAKPRKSV-LJQANCHMSA-N 429.498 1.799 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 482155946 HAXYIMZZEFMFRD-KUHUBIRLSA-N 444.488 1.628 30 10 IDEE CS[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1N1CCCC1 483388982 APYDGMFSIAUCOS-CEXWTWQISA-N 441.557 1.801 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 504562514 CXUBTUZQUOCBBJ-IBGZPJMESA-N 425.507 1.815 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 508914957 VKUCSCOWSUTNJQ-SFHVURJKSA-N 432.550 1.124 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@@H]1CCCO1 514522472 AAWVXLIHRWDEAU-GJZGRUSLSA-N 447.582 1.113 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)NCc3ccco3)sc(=Cc3ccccc3)c2=O)CC1 517983855 CEPCZYYVRBPYCV-UHFFFAOYSA-N 448.548 1.589 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 522674972 VAJAKOKFUYPOAQ-UHFFFAOYSA-N 440.521 1.994 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 523671716 GNWRHTSWBHLTRS-GOSISDBHSA-N 449.492 1.764 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)c1 523969196 AUNUXHQVFIHOLC-QGZVFWFLSA-N 441.528 1.662 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)C1=O 536908915 GIHKBQBCCOYCSP-RDJZCZTQSA-N 436.871 1.707 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)C[C@@H](C)O1 546883350 LFBZALVFMNLSIR-HDICACEKSA-N 435.532 1.994 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 578215026 HWLGZNLZTCLLQQ-NQIIRXRSSA-N 435.532 1.724 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)c1 579046843 DHIKADAHMKBBSN-LJQANCHMSA-N 444.557 1.478 30 10 IDEE COc1cc(Br)ccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589490979 GMCURMXXNOLJAC-UHFFFAOYSA-N 438.303 1.924 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cc1 603800465 WJAKSFRVTIIETK-SFHVURJKSA-N 439.537 1.223 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 611108995 LODDGDJTGVYFLT-SXLOBPIMSA-N 444.557 1.922 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 744007156 ZWHDYHCRMVBEGU-GFCCVEGCSA-N 449.510 1.211 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746190197 FGFMILWBZBTBOF-LNVKXUELSA-N 430.468 1.672 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 752297979 ILMDQWMGTGFENO-INIZCTEOSA-N 427.526 1.801 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 783546959 SXULXIBBUNJQIT-UHFFFAOYSA-N 448.566 1.764 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n1 789323053 GYLOBCZQTMSJHQ-UHFFFAOYSA-N 437.544 1.842 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)n1 789324172 ZLGQWALTHJWXBT-HXUWFJFHSA-N 446.573 1.626 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](COc2ccccc2)C1 791156605 ULWIOSLIUYATEQ-KRWDZBQOSA-N 429.498 1.422 30 10 IDEE C[C@@H]1CC[C@@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 795182441 FUVKRIVYQYRMDS-XOKHGSTOSA-N 431.562 1.583 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC(=O)N2C(C)(C)C)cn1 796608385 JSYYPYOBGFJZMW-HKUYNNGSSA-N 443.529 1.626 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1c(Cl)cccc1Br 800912788 XMQLGVWSORWIQX-WYMLVPIESA-N 434.699 1.907 30 10 IDEE Cn1ncc(-c2csc(=NCc3ccc(S(N)(=O)=O)cc3)n2CC2(CC#N)CC2)n1 803191725 GHHSPINQKLQWQB-UHFFFAOYSA-N 443.558 1.787 30 10 IDEE N#Cc1cccnc1NCCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 804967712 DWXQDLDXRKLOHC-UHFFFAOYSA-N 434.421 1.637 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@]3(CCCOC3)C2)c1 806217418 HAOMIYKKWUDGDL-AFHODHPKSA-N 436.534 1.913 30 10 IDEE CCN(CCOC)c1cccc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 811035085 CBHKLZLZYFLCEO-UHFFFAOYSA-N 432.502 1.336 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)Cc3ccccc3)cc2C1=O 915182170 VWHMIIBLJIKXCN-UHFFFAOYSA-N 427.482 1.318 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1136510420 YJGUVFSPTPHTES-QGZVFWFLSA-N 442.516 1.751 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)s1 1143573212 IRUNOYASBBNHFT-LJQANCHMSA-N 442.603 1.829 30 10 IDEE N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(Cl)c1 1158182662 QTCPTGTZKOTQLF-VVHFOWEKSA-N 430.313 1.806 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1Cc2ccc(C#N)cc2C1 1163382684 OFRNGUSCVAVIEW-LJQANCHMSA-N 441.509 1.642 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)c1 1188760085 CREVZIYGLMCEHM-FQEVSTJZSA-N 445.483 1.576 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)C[C@@H](C)O1 1219066807 CSGVKWWRNKSCOK-PHIMTYICSA-N 448.958 1.172 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1COCCO1 1286272478 AQTUULXJPCUDPF-GDBMZVCRSA-N 432.550 1.420 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286328032 LPTWJTKPSMUEKU-QHCPKHFHSA-N 435.532 1.882 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286389059 DVQZLXMEJWROET-CQSZACIVSA-N 429.531 1.175 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1286389391 JDLAUGSKYNOSRP-WBVHZDCISA-N 431.518 1.114 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286392197 LCPIXBMBQDWMKH-RTBURBONSA-N 427.530 1.583 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1286407764 QQRDZZQJGXFEBN-OAQYLSRUSA-N 432.528 1.183 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1286413847 OHVJYHWBQUVQBA-QFIPXVFZSA-N 447.587 1.852 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2cnn(C)c2C)n1 1286470857 DFNBCRQHLBKIED-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3noc4c3COCC4)n2CCC)n1 1286471085 HRPDSLMPJDAQOI-UHFFFAOYSA-N 425.493 1.899 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1286496013 KXRKJTBXJDNGSI-INIZCTEOSA-N 441.623 1.652 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1286528321 WUWXOUCVUZPIJB-JOCHJYFZSA-N 442.585 1.995 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1286528737 MQZDASMXHGPECY-DHIUTWEWSA-N 425.533 1.924 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286700474 NPYBNZQHCHCADF-HNNXBMFYSA-N 430.596 1.550 30 10 IDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286711289 LYOBIMKKNDLMLK-UHFFFAOYSA-N 434.566 1.713 30 10 IDEE CCCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1294897155 HGZZVBLRCWYYKH-NRFANRHFSA-N 438.467 1.160 30 10 IDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1295811764 YYTKSMYGCUVRTK-YLJYHZDGSA-N 438.598 1.974 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1297993273 PUMYKAQPQSEVRH-SFHVURJKSA-N 449.519 1.640 30 10 IDEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCCO)c1 1300388144 CDWBTBCWFZIQMO-LJQANCHMSA-N 426.521 1.529 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1300464851 IOSDUTCEDSDXRC-GFCCVEGCSA-N 428.440 1.301 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccncc1 1300528153 QYUUZMJNQYWEPQ-UHFFFAOYSA-N 433.541 1.949 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)COCCO1 1300654858 JPNCZJFBBDGHKX-JOCHJYFZSA-N 428.489 1.608 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301150577 XNXFPDPDVABWEA-UHFFFAOYSA-N 426.569 1.984 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301438276 BIILPBMYRNZZIJ-FGZHOGPDSA-N 440.504 1.635 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301505886 CBVADDALHXUIEG-JOCHJYFZSA-N 436.520 1.052 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301509725 MQYFAURKMQRLFQ-QHCPKHFHSA-N 438.532 1.635 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301588790 JLGSREIPJAYXCU-MJGOQNOKSA-N 448.593 1.923 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cnc(C)s1 1302096271 YQEXBMYLJAUSHQ-RHSMWYFYSA-N 431.566 1.992 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)Cc1ccccc1 1302310748 CZFRRFNBPQUKFS-HBMCJLEFSA-N 440.548 1.863 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCN2CCSCC2)cc1 1302991392 HNVBZIPKUKRAOP-UHFFFAOYSA-N 432.575 1.100 30 10 IDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)COCCO1 1303992119 IKQLIUKAXGKSBT-JTSKRJEESA-N 440.504 1.236 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1307784901 SHAFZSGIBZZXFK-YADHBBJMSA-N 447.601 1.722 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1309653483 CRTZAASUTQIUBL-UHFFFAOYSA-N 444.575 1.683 30 10 IDEE CC(C)N1CC[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)[C@H](c2cnn(C)c2)C1 1349466060 ZMXNGODIBXMWFH-WMZOPIPTSA-N 426.525 1.304 30 10 IDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOCC1 1352617935 AFXOFEFDPQZAKK-UHFFFAOYSA-N 436.530 1.664 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1 1355746911 XPGAIMURGWMTMR-NALLXJHASA-N 439.559 1.794 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961388 XRRFEUXZCXDWLC-HKUYNNGSSA-N 428.562 1.307 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1358964672 DMKVPIZLYVDHNV-IBGZPJMESA-N 442.520 1.601 30 10 IDEE C#CCSCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359062859 WCOKTBKZEPTBLZ-KGVIQGDOSA-N 447.605 1.648 30 10 IDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NC)CC1 1359150785 GQCUEADAYUHZAE-UHFFFAOYSA-N 445.959 1.666 30 10 IDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1359282034 PJXGVRPRZIHCBZ-IBGZPJMESA-N 443.552 1.506 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359329981 BJZWVJHPTSYBRK-MRXNPFEDSA-N 448.549 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359335007 XGQSVDDDZPQCCP-OALUTQOASA-N 437.610 1.378 30 10 IDEE CN(CCCC(=O)NCc1ccc(C(=O)NO)cc1)C1=NS(=O)(=O)c2ccccc21 1448504032 SWEFFLGSNMSLNI-UHFFFAOYSA-N 430.486 1.283 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C2)c1 1454246290 MEFDQHNQQUZXET-LJQANCHMSA-N 431.452 1.111 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3=O)C2=O)cc1 1460925535 VZLXBPIOJRGECS-RTBURBONSA-N 449.442 1.824 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1464029489 SCOUZSBNDJZCKI-HNNXBMFYSA-N 432.539 1.229 30 10 IDEE Cc1ccc(C(=O)N(CCN2CCOCC2)Cc2ccco2)cc1S(=O)(=O)NCC#N 1469019388 OSUPRFYEWPHKHD-UHFFFAOYSA-N 446.529 1.365 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1471273393 PXTKQJSDPTTXKW-UHFFFAOYSA-N 442.497 1.133 30 10 IDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1471972726 NJPMYYBVNYGXBX-SFHVURJKSA-N 435.933 1.988 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cs1 1492681833 IEMLMZIJQPDAJL-JKSUJKDBSA-N 436.563 1.330 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1505047590 IHWTTYCTYXVYPH-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1505078390 RZOKZCXLFYFFGT-DDZZRTFJSA-N 444.536 1.765 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1507532994 HXGNXCUQPMLVJX-SJORKVTESA-N 435.532 1.899 30 10 IDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507558344 HZASYTQWCZOQMN-UHFFFAOYSA-N 430.516 1.964 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)C(C)(C)C 1507654417 FHZOWMBESJPJTR-UHFFFAOYSA-N 447.586 1.556 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CC2)CC1 1507739887 GNWMGYIZTBOIDW-UHFFFAOYSA-N 437.544 1.910 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCn2ccnc2C)CC1 1507740128 XLVBIRWDFDZEPT-HXUWFJFHSA-N 439.564 1.733 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1508122023 HIMSOYQORFEUPD-PCCBWWKXSA-N 432.613 1.837 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C 1508133194 DNXUEEXNZBSGHK-CQSZACIVSA-N 448.505 1.121 30 10 IDEE CC(=O)N1CCN(CCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1508272891 IOXRZAPMLDZDEK-OAQYLSRUSA-N 437.548 1.802 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517899369 XSSFUQASCAMVBU-LSJPXJTBSA-N 430.509 1.314 30 10 IDEE N#CC1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)(F)F)CC1 1521114605 HHZXLCJTVCSPNP-UHFFFAOYSA-N 439.398 1.424 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOC[C@H]3CC3CCOCC3)C2=O)cc1 1537360557 XFMSHBJNMVEHOC-UXHICEINSA-N 440.500 1.807 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539215385 AVAMGIPXQFDOKY-MRXNPFEDSA-N 428.543 1.780 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)n1 1539424120 LFRWZZSRYZLFTK-UHFFFAOYSA-N 431.500 1.824 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCCC2)CC1 1539436554 WXYAJTWZYZZCND-UHFFFAOYSA-N 427.940 1.794 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1540007208 ZEVWOIAQDVCCCN-QGZVFWFLSA-N 448.549 1.241 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541115768 FEABHNXJJJVRJZ-DOTOQJQBSA-N 432.550 1.676 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1545689302 ACRMUCQWZIEDSC-YJBOKZPZSA-N 439.520 1.073 30 10 IDEE C[C@H](CC(=O)Nc1ccc(CN2CCOCC2)cn1)/N=C1/NS(=O)(=O)c2ccccc21 1558961315 XPXFBBXBUZONBW-OAHLLOKOSA-N 443.529 1.370 30 10 IDEE CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1566318156 UOXGOMVSNIQAMV-IBGZPJMESA-N 428.489 1.942 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1c1cc(F)cc(F)c1 1584631672 BSVWPNVVVBTASG-QGZVFWFLSA-N 435.452 1.994 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1587662397 NGACRRVXDKQYSF-MJGOQNOKSA-N 440.548 1.833 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1587803608 HLGLVSIGFCBLHD-LJQANCHMSA-N 442.951 1.796 30 10 IDEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1587878593 BHXPBJKDPATPGE-UHFFFAOYSA-N 431.562 1.969 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1588219124 MBCHKYRLQIWKFD-UHFFFAOYSA-N 431.500 1.226 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)COCCO2)CC1 1588836947 OUQQSQZRJHXNGM-QFIPXVFZSA-N 431.487 1.708 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1589171393 DOKYGYZUODFWCN-FGZHOGPDSA-N 441.557 1.819 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1595267448 XJLNIUMLBRVLOJ-INIZCTEOSA-N 448.549 1.532 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](COC)C1 1595530182 VUVGZAUFAPFQON-OAHLLOKOSA-N 447.565 1.013 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCSC2)C1 1595674133 MWZMYJDGPHKSLH-YWZLYKJASA-N 430.534 1.575 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC)C1 1595681587 SNUYMQPUZWQNPK-AWEZNQCLSA-N 437.342 1.964 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C(C)=O)CC2)C1 1595739347 ZTXPUVWKPIEZHO-OAQYLSRUSA-N 439.564 1.209 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Nc2cccnn2)CC1 1595797974 KLGBRGYHARRAPD-MRXNPFEDSA-N 447.565 1.254 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](COC)C1 1595823696 QZAWISJEPQGQTR-QGZVFWFLSA-N 439.582 1.254 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1595838404 RIWKPDRAILQNSE-UHFFFAOYSA-N 433.582 1.954 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1596848876 DCPRBSLHSPWLLD-SPLOXXLWSA-N 441.561 1.876 30 10 IDEE CS(=O)(=O)c1c(F)cccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1597108731 HFDWDKJSAWLERH-INIZCTEOSA-N 444.444 1.945 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)cnc21 1597704874 HUCMYJXPWITTAH-ZDUSSCGKSA-N 427.262 1.048 30 10 IDEE COC(=O)[C@H](CCC(=O)NC[C@H]1CCCN(CC#N)C1)NC(=O)OCc1ccccc1 1610951715 FCFMSUVZGUHBSH-MOPGFXCFSA-N 430.505 1.586 30 10 IDEE N#Cc1cn(CC(=O)N2CCN(c3ccccc3F)CC2)nc1I 1614553130 RHZSMYUQROZLFO-UHFFFAOYSA-N 439.232 1.847 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1)[C@H]1CCOC1 1617782400 UZDLIKXURNRHBY-IBGZPJMESA-N 426.521 1.676 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1618857028 DYLSTBKAMHVLLP-AMGRQBIBSA-N 430.509 1.392 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOc3ccccc3[C@H]2CO)CC1 1620611902 LLZAJBNAPCSQEV-FGZHOGPDSA-N 438.503 1.963 30 10 IDEE N#Cc1cn(CC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c(=O)nc1O 1627534581 CRQVAQZEEOIUKG-AWEZNQCLSA-N 427.219 1.867 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1628849043 YJVWNNCJMYUTQV-AQNXPRMDSA-N 448.608 1.942 30 10 IDEE CN(C)[C@H]1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)nc2)C1 1636651878 PPYXACNKOCEQTN-HNNXBMFYSA-N 431.493 1.911 30 10 IDEE N#C[C@@H]1CCCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1637736444 DUVVOWQXBJZOHA-HNNXBMFYSA-N 432.502 1.531 30 10 IDEE CN(C)CCn1c(O)nc2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 1638203403 PAMARPBHAGELQZ-NVXWUHKLSA-N 442.520 1.792 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1639968199 BMXNFUSLCJNHCM-UHFFFAOYSA-N 442.559 1.115 30 10 IDEE Cc1cc(O)nc(N2CCC[C@H](NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1645357106 GHNJJQDLKJFXNP-INIZCTEOSA-N 425.493 1.660 30 10 IDEE O=C1CN(S(=O)(=O)c2cccc(C(=O)N(O)Cc3cccc4ccccc34)c2)CCN1 1651235139 FOFQUSJYRPKMHP-UHFFFAOYSA-N 439.493 1.992 30 10 IDEE CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 1653144461 BOLDXKJMMJDRHO-NVXWUHKLSA-N 448.545 1.399 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)c1 1659636559 CUJSAGVVRNASEP-UHFFFAOYSA-N 427.482 1.242 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 1659843757 FKDXTCZJIHPXDK-UHFFFAOYSA-N 448.545 1.139 30 10 IDEE CS(=O)(=O)c1ccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)cc1 1660310152 SXCOYEQGFPAJJE-KSSFIOAISA-N 437.568 1.584 30 10 IDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCN(C)CC1 1677477475 KNSRAODRKKUQAL-HXUWFJFHSA-N 448.589 1.383 30 10 IDEE C#CCN(C(=O)NCCCN1C(=O)NC(C)(C)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1684760308 NGCYDXGGGXIOSK-UHFFFAOYSA-N 449.552 1.751 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)nc1 1689826558 QIFJMEMFJRZNOK-JKSUJKDBSA-N 433.582 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689845132 QJIIJLUCVCICOS-OKZBNKHCSA-N 430.578 1.946 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1689853383 RWZQFOQLOTXFMM-OKZBNKHCSA-N 439.582 1.418 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1689930230 NDYVAVJBIDPYSO-LJQANCHMSA-N 431.562 1.969 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689980799 XSOIXGYDGUKLHY-HLIPFELVSA-N 439.651 1.856 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1690011992 LOQUFUNGLRERAA-GOSISDBHSA-N 430.520 1.252 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC=CO2)CC1 1690135617 ZWCMIANYNQEIJN-SFHVURJKSA-N 426.521 1.173 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1690534538 ASEXOINXEYJTNI-GJZGRUSLSA-N 447.540 1.961 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698485659 ALJAIKIJIFEZLQ-IGCQWYOMSA-N 436.451 1.232 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1705538481 QANUEMFTYTVVIM-KRWDZBQOSA-N 438.536 1.212 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705540409 YXSAOIZFZXHUTK-WMZOPIPTSA-N 439.582 1.276 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCOCC1 1705593962 ZNPQOFKAZFGJAX-IBGZPJMESA-N 445.531 1.104 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1705628924 SOEZMMYGHYOXRD-IBGZPJMESA-N 446.573 1.904 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2cccs2)CC1 1705632159 JFVBNHQZOPGRRH-JOCHJYFZSA-N 444.605 1.921 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCSC2)CC1 1705650344 PUMYNFBWXKZOHT-QFIPXVFZSA-N 440.573 1.098 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705902963 NOKVARKAWGHGOH-SFHVURJKSA-N 430.553 1.456 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705905360 SNZBPMOFOUTOFD-JOCHJYFZSA-N 440.504 1.211 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1705919219 ZIMGWSVTOQBABZ-KRWDZBQOSA-N 442.545 1.945 30 10 IDEE CC(C)(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1706092251 FFJXRQWVWQNMKE-FQEVSTJZSA-N 428.472 1.530 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)C1 1706156136 AJPJZUMDPGEADB-SFHVURJKSA-N 439.520 1.860 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1706749308 SFMXTCOHDJMZIC-ZIAGYGMSSA-N 430.538 1.255 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1708039931 AMBKOFWDDZWNFT-IIBYNOLFSA-N 429.546 1.849 30 10 IDEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1F 1711817734 AZAVMVOVEIZENZ-INIZCTEOSA-N 428.468 1.520 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1722282278 MNVMPNSPYCUVCH-MRXNPFEDSA-N 433.520 1.685 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1722290501 MBJZXPZYNGEPJL-SJORKVTESA-N 448.568 1.817 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722347842 QTFPBRHJAKUOSO-UHFFFAOYSA-N 437.891 1.326 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722360573 AUDRJJCAYYVDRL-UXHICEINSA-N 427.574 1.912 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722436388 FKWKKISQSNQTBB-HSALFYBXSA-N 427.597 1.352 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722482488 AYDGMEQXLKXLPY-DEYYWGMASA-N 440.342 1.912 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1722492543 CASYSWLXOKKUIJ-AOIWGVFYSA-N 430.553 1.599 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@H](COC)C1 1722702833 RWYISIOUCJDVLI-INIZCTEOSA-N 446.577 1.825 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722703282 XZDIMEQSGVENGT-SPEDKVCISA-N 443.552 1.215 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1 1722706981 CMBKFZABUGMFHT-IBGZPJMESA-N 441.532 1.690 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1722872408 QELYXSZUVGYLDG-CAOSSQGBSA-N 431.541 1.923 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CCOC1 1728815176 CWPUAGZHBRPXOJ-JPAWQOSXSA-N 432.569 1.779 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N[C@@H](C)CC 1729034154 RTLIKPNOLKIYFN-AWEZNQCLSA-N 427.509 1.654 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1730637430 FMJYXNVRBNLVPQ-WIYYLYMNSA-N 426.477 1.245 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1731013995 LZXUILZNJJLDFY-IBGZPJMESA-N 442.545 1.680 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1740599401 ACWNVSAVHUTMOC-SCLBCKFNSA-N 425.942 1.519 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1740661485 CLSNYSOJIALCSZ-QGZVFWFLSA-N 445.593 1.659 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1740688851 KOIYUJKNICMHFQ-UHFFFAOYSA-N 449.559 1.470 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C(C)C)C(C)C)CC1 1740693404 XNUHNMNRAXZNJF-QHCPKHFHSA-N 432.613 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC=CO2)CC1 1740708560 UCPGJDKIRPWWCE-SFHVURJKSA-N 426.521 1.059 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740857252 IOVVJWJFYUZEKD-UHFFFAOYSA-N 440.552 1.593 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1740953488 HVFYDRXRNVYHJP-HNNXBMFYSA-N 443.504 1.654 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)CC1 1740954682 DUMKDRQUHBGBOB-UHFFFAOYSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1740954906 IXYCXRARFBRADK-UHFFFAOYSA-N 442.520 1.323 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1740964074 GHMVZPCNMVOLSN-UHFFFAOYSA-N 427.484 1.454 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740992625 SAEFECNCXUNIQD-ROUUACIJSA-N 434.566 1.729 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@H]21 1741002685 KMXFZFHYIPBVGJ-OAGGEKHMSA-N 427.596 1.519 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1741033632 CDPIDRZFXWPDNL-UHFFFAOYSA-N 430.534 1.310 30 10 IDEE CC(C)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741348510 MQWXXGUSWKXNRB-XUTLUUPISA-N 443.552 1.623 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1745893689 AEZULHPUQCVYFE-HNNXBMFYSA-N 427.509 1.025 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCOCCS(C)(=O)=O 1747730972 QNOOTFUZHJKBLT-UHFFFAOYSA-N 442.545 1.853 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC(F)(F)CO1 1748776853 SGYZQEMFZJFGKD-HNNXBMFYSA-N 439.488 1.689 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2CCCCO2)CC1 1749015528 GCACMNNYVJRWMJ-LJQANCHMSA-N 442.564 1.326 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1749084062 NESLQXOLYYTXPB-SFHVURJKSA-N 449.309 1.830 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749312055 AQSPUXRVCPWMRQ-OAQYLSRUSA-N 432.546 1.872 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(N)=O)nc2)CC1 1749323830 MRBCYAYYRFAGLZ-UHFFFAOYSA-N 432.488 1.870 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1749464765 DLDHIARQMLMSLI-UHFFFAOYSA-N 426.930 1.033 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(OC)CCOC2)C1 1749692874 CJELKMZGJCQVLV-IIBYNOLFSA-N 428.493 1.512 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1750385912 DEOCERVXIAVIFA-ZFWWWQNUSA-N 436.925 1.547 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1760152724 XAGRXALOHMHGCN-UHFFFAOYSA-N 428.518 1.086 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C1CC1)N(C)C 1760165041 HRSDOPPLJYKOCB-QGZVFWFLSA-N 429.594 1.956 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1760174687 GZNXALSUQMSVBY-GJZGRUSLSA-N 429.612 1.458 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760185515 YONZPGSLURXNBI-ZDUSSCGKSA-N 442.419 1.863 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1760312999 HNVJKCFRBKBTFA-QUCCMNQESA-N 444.580 1.942 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760422259 KBTMTTLABLSZAH-INIZCTEOSA-N 440.614 1.939 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1760464231 CHRCCTSNJATJAU-IBGZPJMESA-N 447.561 1.607 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760524543 ALNVZALPXFNVKF-LJQANCHMSA-N 442.539 1.611 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760529010 TYUCLDOOAMWKNE-YWTNHNAXSA-N 435.569 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H]1C 1760552941 GVXDNPXIONWABP-HNNXBMFYSA-N 428.522 1.510 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1761360507 NZXTVAAAAORPEW-WMLDXEAASA-N 448.531 1.845 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1767423518 LWFFUINPQDDSOS-UHFFFAOYSA-N 429.458 1.668 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1768173271 AKGQHQUNAUFDAT-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1768922253 BJONJTSZUNPCNE-AWEZNQCLSA-N 434.488 1.414 30 10 IDEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1771538327 BCDIIRNAHXPIMZ-OALUTQOASA-N 429.546 1.617 30 10 IDEE CN(C)C=NC(=S)N(C(=O)C1CS(=O)(=O)C1)c1ccc(Br)cc1F 1852109953 NUDHOBKIQFWKAD-UHFFFAOYSA-N 436.328 1.841 30 10 IDEE Cn1ccnc(N2CCC(N(Cc3ccc(-n4ccnc4)cc3)C(=O)CC#N)CC2)c1=O 1853470141 SZEAESBLBGRWKI-UHFFFAOYSA-N 431.500 1.877 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(C[C@@H]4CCCO4)C3)CC2=O)c1 1854102893 CXILYMUGXIGYAG-ROUUACIJSA-N 430.936 1.944 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2cccc(Cl)n2)C1=O 1854289790 CGBKFEURYUGQQB-MRXNPFEDSA-N 425.880 1.348 30 10 IDEE COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854388217 LLROMSNORDFOGP-IRXDYDNUSA-N 431.514 1.636 30 10 IDEE Cn1cc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c2ccccc21 1854437718 BOTZFNBJWOXJDK-UHFFFAOYSA-N 428.514 1.558 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)COc1ccccc1F 1855997787 OULNLQQBRHZYTQ-UHFFFAOYSA-N 431.445 1.855 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cn3ccc4ccccc43)C2)CC1 1857062307 HZEHMDUOLIGQPI-GOSISDBHSA-N 428.514 1.582 30 10 IDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 1861512538 FNXMAYFBMYFCGQ-LAUBAEHRSA-N 447.491 1.982 30 10 IDEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870563825 QDORCFNAHIJNMJ-QFIPXVFZSA-N 445.947 1.357 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCN(C)C 1870571577 GRAKUIYPTUIBTP-UHFFFAOYSA-N 446.577 1.761 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN(C)CCO 1870585122 OABHTLPTXHDLPX-UHFFFAOYSA-N 434.518 1.443 30 10 IDEE C=CCN=c1nc(Nc2ccc(Br)cc2C)[nH]c(N2CCN(CCO)CC2)n1 1871567430 MHNXKDAJWIERLN-UHFFFAOYSA-N 448.369 1.820 30 10 IDEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N(CCOC)CCOC)ncnc21 1873595724 OWMTUGOHACLQIJ-UHFFFAOYSA-N 441.536 1.733 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2O)CCN1Cc1ccccc1 2117400100 UECQRZOOQJGPIE-OAHLLOKOSA-N 437.319 1.948 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141674154 KTEIVEUOBNENRR-CAJLXGCNSA-N 447.341 1.985 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c(N)c1 2162568047 MLLBLOOEBQIOQM-KRWDZBQOSA-N 430.486 1.456 30 10 IDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255611798 XVLHEYHZHBKHDI-UHFFFAOYSA-N 426.326 1.450 30 10 IDEE C=CC1(NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255613755 FAOQPPXFQSNTBX-UHFFFAOYSA-N 432.330 1.625 30 10 IDEE CO[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255650137 NVLUUQADOMCPLO-HUUCEWRRSA-N 436.314 1.943 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)n1 2255653896 PJSFBHBFJMICKE-STQMWFEESA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255694495 OJVMHHKEPIUZNG-AGGWBTHJSA-N 430.314 1.371 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267603711 AYSUUHARIMFLBM-KGLIPLIRSA-N 449.361 1.347 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267605158 SPFUPAXBVFRHJM-SJLPKXTDSA-N 439.369 1.897 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267880124 PJQAFXBWJROTFH-SFHVURJKSA-N 438.337 1.407 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2272634572 SPVPAYHCRVSMTD-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE C#CCN(CC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2307256447 KXSJZEFZWDXGAH-UHFFFAOYSA-N 439.509 1.827 30 10 IDEE O=C1CS/C(=N/N=C2\NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)N1 39886331 IJQSULRFLQVWFM-VIFPVBQESA-N 431.421 1.756 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(O)cc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103121862 KUUYWRLDNSCJNU-LYHOESIGSA-N 428.397 1.731 30 10 IDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1 466106129 YSRMZNBIIWHHKA-RTBURBONSA-N 427.549 1.769 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 474660734 MRTYFWZKVAVBAU-SGXKBVARSA-N 426.473 1.275 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 477254750 VQEXYTIZHUOUHT-UHFFFAOYSA-N 427.408 1.800 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 481792884 FOAWYQAKCMGHAB-GOEBONIOSA-N 428.518 1.558 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 507076302 DDTAFIRAUPABDX-KRWDZBQOSA-N 429.517 1.564 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508462543 XNIGFDSJBYYOIQ-OAQYLSRUSA-N 444.561 1.488 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 508708190 ZZFCUERFXKZBGJ-IRXDYDNUSA-N 444.561 1.925 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 508864893 RBJBYDZYPOYBOX-IBGZPJMESA-N 427.505 1.831 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 514078319 JNSHPFOEGPBASM-BHIYHBOVSA-N 430.530 1.532 30 10 IDEE CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 517983901 HTGPGRAVIUYIBA-UHFFFAOYSA-N 429.542 1.211 30 10 IDEE C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc2O1 521582669 QOZMGNJMDQUAOR-OAHLLOKOSA-N 447.538 1.577 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3nnc(C)s3)cc21 526884672 HDAJMYXRBJYMJU-GDLZYMKVSA-N 434.499 1.328 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)CC2)n1 546178895 VFKWTTQIYYSBBN-LJQANCHMSA-N 431.562 1.586 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 549690018 GWIOVPUPVQNMFE-INIZCTEOSA-N 438.598 1.693 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=C)C)CC1 563818267 JWVKSVGVJUYQSW-UHFFFAOYSA-N 443.577 1.270 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 581303332 RVYSFEOCAHCWBA-AWEZNQCLSA-N 431.522 1.542 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1Cl 683443153 QTRYKRXFXNIYDA-UHFFFAOYSA-N 443.956 1.832 30 10 IDEE COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 732153009 IURURFJVPGALRL-BYWOCGOVSA-N 442.472 1.555 30 10 IDEE COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732670274 WXFRMXNTCHMJMR-CYBMUJFWSA-N 428.308 1.597 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1 734293101 LZHFOJMSLSJJTJ-UHFFFAOYSA-N 437.518 1.010 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H]1CCN(c3sccc3C#N)C1=O)C2=O 751622746 NMQOSRQFKMTKCF-HHGQXBFMSA-N 430.486 1.769 30 10 IDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)c1 757018369 PUMGCNHOYOTWJX-UCMDFWOYSA-N 428.489 1.563 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cn1 764433658 POJGEBPTMAKGRT-MOPGFXCFSA-N 432.440 1.849 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(c2ccccc2C#N)CC1 765660407 GMLJSANDTBREKN-MRXNPFEDSA-N 437.525 1.882 30 10 IDEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)c1 768145633 OCBFFOYFXXCSOG-UHFFFAOYSA-N 426.248 1.565 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 780205055 KGILMCCLCHLCOS-NRFANRHFSA-N 427.501 1.776 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 784124747 CVMFMATYEZOCLV-IBGZPJMESA-N 430.574 1.953 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)n1 790104458 ONMUXANKOCHLGG-UHFFFAOYSA-N 443.529 1.086 30 10 IDEE C[C@@H](C(=O)OCC(=O)N(C)CCOc1ccc(Br)cc1)n1cnc(C#N)n1 798744134 PWSLIBRXJTVZMD-LBPRGKRZSA-N 436.266 1.554 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 802475669 GQHGCFBJRWQSDF-OAQYLSRUSA-N 437.544 1.908 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CCNC(=O)OC(C)(C)C)cc2C1=O 803033874 QFNYHRLPLXJMNF-UHFFFAOYSA-N 437.474 1.053 30 10 IDEE COC(=O)CN(Cc1ccccc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 918639319 CUUSJHZPNOSJKL-UHFFFAOYSA-N 429.498 1.707 30 10 IDEE CN(Cc1cnn(C)c1)C(=O)COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 918894133 LXQNMWXNNHHIBR-UHFFFAOYSA-N 443.407 1.705 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 919830142 GKTJWTMNXSPDQP-UHFFFAOYSA-N 435.505 1.738 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)cn1 1083976483 GJSXUGXPWORTMC-UHFFFAOYSA-N 427.494 1.560 30 10 IDEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NCc1ccc(F)cc1 1084377859 OUXRAYJEXIVVMO-UHFFFAOYSA-N 444.452 1.894 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=C/C=C\c4ccccc4)n3)n2C)n(C)c1=O 1084606586 FKTYCAVALTYILV-SGDKUWCSSA-N 437.489 1.351 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C)C1 1116922949 GVMBWTPHHGLIRM-KRWDZBQOSA-N 433.534 1.284 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 1125222304 NLPNEYBNMCYALT-OAHLLOKOSA-N 428.489 1.190 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)cn1 1130701278 PPSXDCSOGYVZTL-TZMCWYRMSA-N 426.395 1.947 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)CC1 1136315375 VVSURMAVTRQXCR-UHFFFAOYSA-N 448.545 1.842 30 10 IDEE CC(C)[C@H](NC(=O)C(F)(F)c1ccccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1156562866 XEIUBRVLXKBLTD-SFHVURJKSA-N 430.459 1.987 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1183450581 FETGDIZKXYURJS-GFCCVEGCSA-N 447.435 1.678 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1208474128 PUPIWOZIBRWJKI-LLVKDONJSA-N 428.410 1.977 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1 1213175753 CWVSGEUPSMPSRJ-UHFFFAOYSA-N 446.529 1.842 30 10 IDEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1235753445 AWIURXXDGQDFPL-QAQDUYKDSA-N 428.518 1.356 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1248493233 RJCSWKOQXXOAEZ-JOCHJYFZSA-N 444.536 1.811 30 10 IDEE COc1ccc([C@@H]2CN(C(=O)NCC(=O)NCC#N)C[C@H]2NC(=O)OC(C)(C)C)cc1 1248536640 JKHOOZVLLPFODQ-DLBZAZTESA-N 431.493 1.337 30 10 IDEE CN1C(=O)CO[C@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@H]1c1cccnc1 1264896431 JPNGZYLGGNVMLQ-YADHBBJMSA-N 447.495 1.729 30 10 IDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCCc1ccccc1 1275043294 JWBDCEGWASHWHJ-MRXNPFEDSA-N 428.514 1.356 30 10 IDEE C#CCN(c1nnc(C)n1Cc1nc2cccc(Cl)c2n1C)[C@H]1CCS(=O)(=O)C1 1286380862 DTUCZWKHXDHTTQ-AWEZNQCLSA-N 432.937 1.802 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 1286384857 JTZKMMSSOJIMNC-GOSISDBHSA-N 439.545 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCCN2CCC[C@@H]2CO)CC1 1286486612 PESCNCQUTPFSQC-HXUWFJFHSA-N 430.597 1.604 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286610712 AAKFMBYHSIGXJI-MOPGFXCFSA-N 433.553 1.940 30 10 IDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286769600 CTNIBOLADGYVBQ-QFIPXVFZSA-N 440.504 1.963 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286816530 GBAPFFNEROYOSS-GDBMZVCRSA-N 427.571 1.927 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1286949317 HHTDDNKIAMFNSZ-UHFFFAOYSA-N 447.499 1.898 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCC(O)CC2)CCOC1 1286961336 NQLBJLZZCHLPCV-GCJKJVERSA-N 434.585 1.761 30 10 IDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 1287463654 JYKIZUHMIDSZKN-IBGZPJMESA-N 429.498 1.527 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCC3)CC2)n1Cc1ccc(C#N)o1 1288864240 VHOXMFFPPBIDAE-CQSZACIVSA-N 433.538 1.076 30 10 IDEE C#CCN(C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)[C@H]1CCS(=O)(=O)C1 1291930263 YRCNTYCBDIUVCZ-INIZCTEOSA-N 446.529 1.622 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300286188 FLEDDRWXSQGVOM-IPMKNSEASA-N 449.563 1.878 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1300480125 YANQGVTZINCRHT-KRWDZBQOSA-N 433.578 1.743 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCOCC1 1300591763 WRUKTJRRXWJBHV-UHFFFAOYSA-N 441.557 1.664 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1300597587 NGJWWOVTQIMYSJ-SFHVURJKSA-N 425.537 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300682773 JTUUNEYUSNVKJH-BSRJHKFKSA-N 443.523 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)s2)CC1 1300710542 FQASKOPPIMDJTK-UHFFFAOYSA-N 440.573 1.898 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1301273781 XKBBQKIXGITCLI-ZIAGYGMSSA-N 430.575 1.766 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1302311246 KCJMPLIESLUFEP-HAGHYFMRSA-N 448.568 1.232 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1302989817 UDXGEKBPQNURNR-QGZVFWFLSA-N 446.458 1.712 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)C2)nc1 1303899728 KWYQPGRPQBYQEZ-FUHWJXTLSA-N 435.488 1.547 30 10 IDEE Cn1c(=O)[nH]c(N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)c(C#N)c1=O 1306982514 GIIFYWFVOXZJRX-QGZVFWFLSA-N 446.435 1.828 30 10 IDEE CCOCc1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314390702 NRXKAAYLIROETO-VXPUYCOJSA-N 429.525 1.016 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N=C1NS(=O)(=O)c2ccccc21 1320733511 MNPPLBPANUBKMJ-MRXNPFEDSA-N 431.470 1.583 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1342263348 PCJCVHIOXUYIBP-GJZGRUSLSA-N 426.491 1.413 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(Br)ccc2-n2cnnn2)c1 1354861420 FZSJDFAPQAIISR-UHFFFAOYSA-N 425.246 1.775 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1358894027 HAXNCPQJYYYJAB-SJLPKXTDSA-N 441.561 1.399 30 10 IDEE C#CCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358935918 XIXAMHXVQKFTPO-FQEVSTJZSA-N 439.582 1.250 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC(=O)N2)CC1 1359042409 FLFTWLZNWKXNQV-MRXNPFEDSA-N 441.923 1.238 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1359070285 JOXQGOHEUBECCM-RHSMWYFYSA-N 433.500 1.666 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC(F)F)CC1 1359165250 LIDHACNKUWWAGG-CQSZACIVSA-N 435.497 1.049 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1359357865 OPNMWPJSKLLXPI-FDDCHVKYSA-N 435.532 1.600 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNc1ccccn1 1360240851 RJRDEMXYSDHOQJ-GOSISDBHSA-N 437.552 1.490 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)cc3C)CC2)cc1 1437454227 PRTQDDMEDXMBEB-UHFFFAOYSA-N 442.541 1.757 30 10 IDEE CCOC(=O)N1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[C@@H]1c1ccc(C)o1 1439798141 SBFXIICBMFQZBR-KSVNGYGVSA-N 435.502 1.647 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2cccs2)s1 1444981693 CCXOALSJEFECPV-INIZCTEOSA-N 425.557 1.516 30 10 IDEE COc1cc2c(cc1OC)[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)CCCC2 1471193660 RGRFGFKUWTXDNJ-MRXNPFEDSA-N 427.461 1.605 30 10 IDEE Cn1cnc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1Br 1472125570 BMDBKSHWLSIDAJ-UHFFFAOYSA-N 429.271 1.591 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1475658607 UDEWEXXGIGULBF-QZTJIDSGSA-N 435.546 1.994 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)cc21 1477134821 NKTHDUFNXAPKBF-UHFFFAOYSA-N 430.490 1.890 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Cl)cc2OC(C)C)CC1 1479200316 DAWNMPKLPAZMSU-UHFFFAOYSA-N 428.942 1.422 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)C[C@H]1O 1503880515 CIFACCZBMJSOHK-WOJBJXKFSA-N 432.484 1.815 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCOCC1 1507522225 BQRILIOACJPDQP-SFHVURJKSA-N 435.536 1.491 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1507600888 LEHYDMPQVFEKGU-HNNXBMFYSA-N 428.518 1.969 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507629197 KPQBSCUWEYACIO-OALUTQOASA-N 442.589 1.841 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1507722533 ZGXYWAVWZJRTCU-UFYCRDLUSA-N 442.587 1.893 30 10 IDEE C=CCN(CC=C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1508019881 FVFLDVZGWGZEIW-HXUWFJFHSA-N 436.509 1.724 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508072557 QSWLHKASBWEOHO-QFIPXVFZSA-N 448.568 1.273 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1508093740 JMLBOWJCRPECAW-SFHVURJKSA-N 442.589 1.702 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)CC)C1 1508128305 XGTOUJHJQYSJMG-KZNAEPCWSA-N 425.599 1.692 30 10 IDEE Cc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1511306888 WVFISRIVQYFGEX-KKSFZXQISA-N 425.468 1.608 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1512574191 FMTVRTZEDOFPOF-ZSOFBXJNSA-N 435.431 1.815 30 10 IDEE CCc1nnc(N2CCN(Cc3cccc(C)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513929159 JBWCBYRNUCNEBQ-FCQUAONHSA-N 449.559 1.998 30 10 IDEE COc1cc(C#N)ccc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1515264220 DTYXOADLANUEJY-UHFFFAOYSA-N 429.498 1.659 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCC(F)F)CCOC1 1516214440 NPWOGBVIEUICFX-OXQOHEQNSA-N 440.495 1.388 30 10 IDEE CN(CC1CC(F)C1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517201211 HQMGDYPXKHHYDO-NKFKQRHKSA-N 432.500 1.883 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C[C@H]1C 1519221636 AVZBXXPNCNWPBU-RBUKOAKNSA-N 441.580 1.836 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCOCC2)C1 1521062519 FCNCXTFDOVULLK-NRFANRHFSA-N 448.449 1.871 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)OCC)C(F)(F)F)ccc1F 1538385207 MKOVUYALSDDWNB-CYBMUJFWSA-N 426.388 1.904 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C)C1=O 1538983434 RWXODLGOYHLMLZ-BTYIYWSLSA-N 444.561 1.132 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1539059006 MFXLKMUOFINMIH-LJQANCHMSA-N 425.489 1.471 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539147429 HRRYUYCMHOCPAI-ZWKOTPCHSA-N 428.537 1.740 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(C)nn2C)CC1 1539481714 NCCBDANWPPWXCH-SFHVURJKSA-N 425.537 1.228 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1539744834 YFFUUWIPHXLFGU-SFHVURJKSA-N 436.520 1.415 30 10 IDEE CS(=O)(=O)Nc1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1F 1540001455 OHGYASJDUJOYAT-UHFFFAOYSA-N 429.426 1.886 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1540021762 YLRRXDMUSLRYGQ-OAHLLOKOSA-N 435.550 1.749 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1540058169 ALOVOSBLOPQVBD-HXUWFJFHSA-N 436.534 1.524 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1540859765 GFVBOCMDFIMNPY-UHFFFAOYSA-N 425.493 1.128 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1540874204 YCXHIOMSBMJPSH-NRFANRHFSA-N 438.576 1.524 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@@H]1CC 1540881623 OCAHQFSOUMIXEM-SFHVURJKSA-N 438.532 1.728 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1541035419 XUPYOMJSDAGQAE-RWNPKEDZSA-N 441.536 1.567 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1541997664 JTONCJDOAXRSMD-DLBZAZTESA-N 442.545 1.355 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 1544672761 HCSKAWLPNINAGK-QFIPXVFZSA-N 432.521 1.474 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1545928804 KFXZDEQFAQAUQZ-ZIAGYGMSSA-N 432.447 1.893 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1548275482 BSSPUBJULJZPEF-FQEVSTJZSA-N 440.548 1.924 30 10 IDEE CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1554483351 HVCFALJGHWQRIJ-UHFFFAOYSA-N 436.495 1.757 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555318933 MXUJNEKNEBVNAH-LSDHQDQOSA-N 449.515 1.958 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555348865 JWCKBPOGNGWCCF-XOMICKMZSA-N 437.504 1.729 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccn(C)n1 1555639441 NBZCTMUNVCWTRC-AWEZNQCLSA-N 438.492 1.319 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1555710010 HFJIIGCAMQABDL-WZONZLPQSA-N 438.532 1.784 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 1557711751 PQRQCZNWWSHFHY-LSDHHAIUSA-N 430.461 1.114 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)COc1cccc(Br)c1C#N)C2 1558750469 HIAKPLMXLGBOBS-AWEZNQCLSA-N 447.293 1.099 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCn1cc(F)cc(I)c1=O 1559396797 AGAUMTRDQAECLO-UHFFFAOYSA-N 436.180 1.892 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1561743821 QDGFQGBMTWDRMY-QRQLOZEOSA-N 426.535 1.875 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 1565630396 ZFJISVODLTZIFH-XUTLUUPISA-N 427.411 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1585297648 VWMUYYMMURWRFG-DDGKQPTKSA-N 446.426 1.817 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C(C)=O)CC1 1587574287 FVCPNXNYCMXTHA-GOSISDBHSA-N 446.559 1.957 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588050131 PDLKGXUTNKGMCK-DLBZAZTESA-N 448.618 1.837 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1588128739 QVZSIMOAWPUGMM-FQEVSTJZSA-N 434.569 1.904 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1589394359 DFNXJTWSSGDMQY-AWEZNQCLSA-N 433.310 1.873 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1593696223 LSPNVMABTCANJB-NRFANRHFSA-N 425.493 1.235 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1595171504 VRWAIAZBPQSLOF-RBUKOAKNSA-N 437.610 1.715 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595639611 DVJGDLIEWDHBPM-QHCPKHFHSA-N 438.532 1.888 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2cc(C#N)ccc2F)c1OC 1596928236 BKIGZWLCPGHYLF-UHFFFAOYSA-N 449.460 1.988 30 10 IDEE Cc1noc(C[C@H]2CCCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1611478918 OQGDGPONOYHITC-SJLPKXTDSA-N 436.472 1.936 30 10 IDEE CCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613954920 UWEJRWNNPWKTLX-BMRADRMJSA-N 440.426 1.715 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(N(C)C)CCOCC1 1614028557 IAJAGIVWWBHZON-QGZVFWFLSA-N 439.568 1.328 30 10 IDEE CCOc1ccc(N(CCC#N)C(=O)CN2C(=O)N3CCCC[C@@H]3CS2(=O)=O)cc1 1614861756 VSGTXJBUHLQJPM-QGZVFWFLSA-N 434.518 1.952 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)SCc2nc(O)c3ccccc3n2)CC1 1615208837 IJFUFAPDHSKAPG-MRXNPFEDSA-N 441.557 1.241 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1618243169 MQQIHGRRSPVBDA-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)CCN1C1CC1 1620357080 QXYXPNQYQIUMCW-HNNXBMFYSA-N 441.458 1.504 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1)c1cc[nH]n1 1626704963 ITCPOARAGSVNBC-SFHVURJKSA-N 442.472 1.818 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(OCCc2ccccc2)CC1)c1cc[nH]n1 1627759459 IWGFEAIYBDRVIU-UHFFFAOYSA-N 428.489 1.944 30 10 IDEE N#Cc1cn(C2CN(C(=O)COCCc3ccc(Br)cc3)C2)c(=O)nc1O 1637515492 WHRMJICIZUKXBD-UHFFFAOYSA-N 433.262 1.226 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C[C@@H](O)CCO2 1639080382 DUIJUVJIJQMTCD-KRWDZBQOSA-N 449.573 1.818 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)c1 1639505257 JQBZGYIJZLMWFW-OAQYLSRUSA-N 436.530 1.461 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1640636784 COXDUUVBXRHKGM-HZPDHXFCSA-N 443.447 1.342 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)C1 1642078747 WQSBZYBOONAFFX-UDCJOXCSSA-N 446.548 1.669 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1Cc2ccccc2NC1=O 1642449714 FWGUERKFCDGHFS-SFHVURJKSA-N 440.525 1.965 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1643547573 HIWWJVPZFPLRFV-HXUWFJFHSA-N 430.549 1.639 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1645274223 NNRWQYFMDBCJLP-QFBILLFUSA-N 434.518 1.352 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1648291564 KVVZGFFVOSZVJY-UHFFFAOYSA-N 434.543 1.634 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(CN2CCOCC2)cn1 1648697230 OKCODKACJHZEPJ-UHFFFAOYSA-N 443.529 1.371 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1649541776 IHOAFEGDCDZDMH-UHFFFAOYSA-N 445.474 1.976 30 10 IDEE C=CCC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1660072266 IXQRKOFGHLQDQR-HNNXBMFYSA-N 426.539 1.222 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)c1 1660306552 FQRLUAZZZVFJKD-UHFFFAOYSA-N 447.538 1.303 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cccc(Br)c2C)CC1 1662385923 SYJRMFLNJZNJNJ-UHFFFAOYSA-N 442.379 1.344 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCO2 1671495847 XXKNBYQNSXJLHA-LVNJIZSUSA-N 438.525 1.747 30 10 IDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1672353950 UGWCMILARLOWKB-DNVCBOLYSA-N 437.422 1.369 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)CC1 1673947982 ULQZLIOWYLWTIO-UHFFFAOYSA-N 426.336 1.998 30 10 IDEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCc2nnc3n2CCNC3=O)cc1 1683737448 CDMLOGASDCKPNE-UHFFFAOYSA-N 433.447 1.944 30 10 IDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690287727 QQCZFJONZBUCSG-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690508516 KHJQLZQUUBNPAD-YCRPNKLZSA-N 432.525 1.189 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1690526823 DXOOXYJFGZOXIF-QAPCUYQASA-N 435.550 1.335 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1690659237 NJMITLCPOVGRDD-QGZVFWFLSA-N 428.512 1.927 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1690671907 CANCIJUWMODZPX-HNNXBMFYSA-N 442.474 1.882 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1690673044 MKAUYPICCFSCKD-UHFFFAOYSA-N 440.445 1.995 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]3OCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690676787 DMKLFABIWUSIBU-KGVIQGDOSA-N 433.553 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690727025 SEBFBZWQDLYUTE-MRXNPFEDSA-N 439.582 1.935 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1691436092 QIVYRJHSSDZYBZ-UXHICEINSA-N 438.532 1.973 30 10 IDEE C[C@@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1692804665 DWTKTJWXKZUZQZ-OXJNMPFZSA-N 431.518 1.238 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1697770429 UPFIAMQELYFESR-AZUAARDMSA-N 426.521 1.989 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1705552065 VLCDMFQVQMOITL-MRXNPFEDSA-N 428.493 1.623 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1705564049 KASFQOPLBFWEEQ-PGRDOPGGSA-N 444.557 1.686 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1705606116 LBQAPGAZUOIJTR-UHFFFAOYSA-N 431.298 1.648 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)OCCc3sccc32)CC1 1705632244 KJCWQVGQPGITQU-QFIPXVFZSA-N 442.589 1.721 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCC[C@@H]2C)CC1 1705648736 XKBNIMYPBKBHER-AZUAARDMSA-N 428.581 1.970 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)F)CC1 1705782363 VQLIUVORQQVPBX-HNNXBMFYSA-N 449.524 1.643 30 10 IDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C(C)=O)CC1 1705840591 UKBFSRKOQYAYRY-UHFFFAOYSA-N 434.548 1.917 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1705901823 XNKNBQDERQVZQE-RTBURBONSA-N 438.532 1.575 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1705908341 NXSKTJJOHHWURN-OAHLLOKOSA-N 445.545 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCSC2)nnc1[C@@]1(OCC)CCOC1 1705938731 IDXGZOGKBZVVEW-CRAIPNDOSA-N 430.596 1.473 30 10 IDEE CC(=O)N1CCN(CCn2c([C@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)CC1 1706004793 DBBRWVDUEDKKJF-HXUWFJFHSA-N 429.569 1.814 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(N2CCOCC2)c1 1706069462 CYYZLFYFHSMZFJ-KRWDZBQOSA-N 425.537 1.897 30 10 IDEE CC(C)(C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706118166 JKCCLKOWQUNDFJ-UFBKIKKCSA-N 443.508 1.133 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706431013 PVSRCHJFAVSVKS-XJUSPUEMSA-N 444.536 1.387 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCO[C@H]1CCOC1 1709141944 KVPVQLQUOWSSJO-IRXDYDNUSA-N 426.525 1.413 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1722411394 FOHJACLJQNJNFU-MRXNPFEDSA-N 427.596 1.358 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NC(C)C)CC1 1722433865 FHAJLXGJZNNUMW-UHFFFAOYSA-N 430.940 1.887 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CC1 1722436820 LMGMXQMHJSRPDF-OAHLLOKOSA-N 444.337 1.190 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722700529 LPVUIZXPMOOLRK-IBGZPJMESA-N 436.520 1.360 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722727035 FKYDLJMGTHOKQB-KRWDZBQOSA-N 439.582 1.078 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1722738572 LQSVAAUQPGPRMY-GJZGRUSLSA-N 447.652 1.472 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1726742543 KOOIGYLLUZVNRU-APWZRJJASA-N 443.577 1.429 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](CC)OC)CCOC1 1728798048 UDSFCEIQHYIVKZ-JTSKRJEESA-N 442.520 1.890 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCC(F)(F)F)CCOC1 1728818904 TVMHCAPEZNVEQP-BBRMVZONSA-N 435.472 1.954 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1740610013 RHFKFGHIQHOHKY-GFCCVEGCSA-N 443.455 1.171 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCCO)CC1 1740695217 JFDVPNVHTPUFGT-UHFFFAOYSA-N 435.532 1.285 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCOCC2)CC1 1740710430 XDQATMXWEASCNF-AZUAARDMSA-N 444.580 1.064 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCS(C)(=O)=O 1740752672 ZIAJGPOHUYSAPY-DOTOQJQBSA-N 448.549 1.387 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740763304 JLLFNIHXFWGLSI-DXIQSLLYSA-N 444.580 1.686 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1740763847 QQYOIUMFKLTQFJ-UYAOXDASSA-N 427.553 1.823 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740950343 HCRCPKCPPKIXAM-CVEARBPZSA-N 447.540 1.329 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740989500 OVHJPUKCZWZDHZ-KRWDZBQOSA-N 444.517 1.815 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740991329 UDKYBHMIHLUGPO-MJBXVCDLSA-N 431.509 1.558 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1747435099 BQCORDFLUBFDDA-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1748638608 SIIIMLWPBVCOJM-HNNXBMFYSA-N 428.460 1.407 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1748751653 JNJWAUWAHBCYPV-ZWKOTPCHSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1748840642 DTHIKIYJXWCMQF-LJQANCHMSA-N 439.589 1.651 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cnn(CCOC)c2)CC1 1749009868 WRGOTUBWQJGKRG-UHFFFAOYSA-N 436.520 1.130 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749450856 VXRYFNBMHQOCLE-UXHICEINSA-N 446.596 1.654 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnccn2)CC1 1749676541 UOAKBHWDDLZHJT-UHFFFAOYSA-N 439.549 1.053 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749822006 MRPSCWNETYKIRQ-MSOLQXFVSA-N 438.598 1.972 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1749941721 KEPLDQHDNRNVMR-DOTOQJQBSA-N 425.555 1.567 30 10 IDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1751714540 NPDRYSLCGUJXSV-UHFFFAOYSA-N 430.534 1.824 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1760110208 BMZBXIHFQHWLHQ-ZDUSSCGKSA-N 426.493 1.978 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1760138242 USPYZQXCZFYPRD-IRXDYDNUSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1760186176 BJMSXHGYHNHNGE-CABCVRRESA-N 436.563 1.007 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1760191123 AZPUWJAPAJOYCH-KJPDOMRESA-N 447.586 1.863 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1760216492 PPBBZXUVPPYUEO-UHFFFAOYSA-N 434.456 1.378 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1760314041 SUHASDZZUJKOQZ-WMZOPIPTSA-N 445.568 1.392 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1N1CCOCC1 1760468863 LAUOHBFEOGRGHI-OALUTQOASA-N 428.537 1.904 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1760520341 KLKMKVCFJVSZEA-QGZVFWFLSA-N 427.553 1.719 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760520510 QCWHFBZOHZYPEF-KRWDZBQOSA-N 438.536 1.225 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1760686868 AMSIWBQGWRXRHT-SPLOXXLWSA-N 443.939 1.936 30 10 IDEE CCOC1CC(O)(Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1767695061 GGLIEHTZZFMVKK-IZINQKCZSA-N 426.525 1.147 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1768172211 KZHCOWSRVZYHSH-JOCHJYFZSA-N 442.589 1.843 30 10 IDEE CN(C)CCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1768517223 DLYJKPBOVYPSQU-GOSISDBHSA-N 436.520 1.642 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCCOC2)C1 1768526110 FOAOHOJVJFYXKN-OAQYLSRUSA-N 444.561 1.715 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1769845706 RYUUPTFZHMOXAK-IRXDYDNUSA-N 425.555 1.363 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccc(C#N)o1 1771219750 RRKLDSPFVZKUQK-MRXNPFEDSA-N 430.509 1.820 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1c(F)cccc1F)C1CC1 1772566410 YDPPYGCGQNKYCW-QGZVFWFLSA-N 430.459 1.979 30 10 IDEE C=CCN1C[C@@H](C(=O)NCCn2ncc3c(=O)n(Cc4cccc(C)c4)cnc32)CC1=O 1850206647 NMYVBXDCMCAEFH-SFHVURJKSA-N 434.500 1.100 30 10 IDEE Cc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOCCN2CCCC2)n1C 1853439097 IJISBVTURVKYJX-UHFFFAOYSA-N 445.545 1.581 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@@H]2C)cc1 1854693095 UQBHGJMAYOJQHZ-HNNXBMFYSA-N 427.482 1.937 30 10 IDEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855093597 BKXNMXATPZSOSN-SFHVURJKSA-N 432.546 1.141 30 10 IDEE C=CCC[C@H](C)C(=O)O[C@H]1CON(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 1855333941 FLVJDNYGMBZVRA-WMLDXEAASA-N 434.514 1.972 30 10 IDEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870107099 RXWDHBADWGYEKY-UHFFFAOYSA-N 431.368 1.341 30 10 IDEE CCCCCCCOc1cn(CCOCCO)c(CN2CCN(C(C)=O)CC2)cc1=O 1870413936 ACRGNLHPZBJKIE-UHFFFAOYSA-N 437.581 1.871 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NCCCO)ncnc21 1873625688 SBJMXVLBAGUDKH-UHFFFAOYSA-N 434.456 1.890 30 10 IDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccncc1 1874336801 DJBIUTPOFNUXOW-BRUSPLQXSA-N 429.550 1.898 30 10 IDEE CN(CC#CCNC(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)Cc1ccccc1 1889322967 GTCONECDZUZXPE-LJQANCHMSA-N 440.569 1.597 30 10 IDEE COC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN(C)C)cc1 1890724710 LWSQYNMVDKXRJV-SFHVURJKSA-N 436.534 1.089 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2064341352 GYNSETDUKHPKKD-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085656156 FWDFFEHURJIACC-OAHLLOKOSA-N 435.330 1.984 30 10 IDEE C#CCn1ncc(NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c(Br)c1=O 2162385510 PBUZNZAFXNSVEA-ZDUSSCGKSA-N 440.342 1.602 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248405829 TXIMHBFGAPQGAD-JEOXALJRSA-N 436.343 1.455 30 10 IDEE CO[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2255545030 JZYATGNNUJYINY-GJZGRUSLSA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255617857 WXCREYLYNZVXHA-KWUMSVIQSA-N 438.309 1.834 30 10 IDEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)N(C)Cc1ccccc1 2255948913 QYCGUDJSDOOEMI-INIZCTEOSA-N 448.398 1.518 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(Cc2ccccc2)CCC1 2267263454 GFCDPTDOEOWEHC-UHFFFAOYSA-N 439.369 1.853 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267526073 MNFIAXYHLJKWFX-KFWWJZLASA-N 446.357 1.942 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267589994 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436.755 1.965 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1C 732648327 SDEKVCGNTMBFPA-HXUWFJFHSA-N 430.574 1.903 30 10 IDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1 732675094 WPUOGARAFMYXBN-XLIONFOSSA-N 445.589 1.989 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 733761605 VBMHRDVZOFMSJF-WBVHZDCISA-N 441.488 1.889 30 10 IDEE CCOc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)cc1 751922322 NIGWQHMXPYMQSJ-PBHICJAKSA-N 449.577 1.219 30 10 IDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 757385599 GDOJTINLOAYORY-KBPBESRZSA-N 432.502 1.251 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758061666 ITKXUYKSJDRZSO-UHFFFAOYSA-N 431.521 1.632 30 10 IDEE CN1CCO[C@H]([C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccc(Cl)cc2)C1 766245847 GXXLUOKDGGCJLT-LFGCOOLASA-N 447.923 1.537 30 10 IDEE C[C@@H](NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 772981028 ASDOESVHWQDFDB-MSVBSMQLSA-N 444.513 1.935 30 10 IDEE COc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 780848284 LEBQQKODEBYRPS-LJQANCHMSA-N 431.470 1.260 30 10 IDEE COC(=O)C1=C(C(=O)c2ccncc2)[C@H](c2c(Br)cnn2C)NC(=S)N1 783810576 SMVHLWBXSCGHLE-LLVKDONJSA-N 436.291 1.406 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790741142 KHRSTOJQCKEPMO-OCCSQVGLSA-N 425.580 1.272 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H](c2cccnc2)C1 800167269 FMVNYNFTFLDERO-IAGOWNOFSA-N 437.522 1.145 30 10 IDEE COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 802378480 HONHTKGSAHOUHX-QGZVFWFLSA-N 445.545 1.746 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(Cc2cnn(C)n2)C1=O 807937449 DHLQFIXTQDZRQU-RYPAHKROSA-N 440.451 1.970 30 10 IDEE C#CCONC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 812786114 CXCIWSBOJZOWEF-UHFFFAOYSA-N 438.506 1.523 30 10 IDEE CCCc1nnc(SCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)n1N 813432111 SHINDLSCPKGRFG-AWEZNQCLSA-N 431.547 1.448 30 10 IDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)n1 856703498 JSLAMEBSJRTKHW-NRFANRHFSA-N 446.529 1.919 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCS2(=O)=O)c1 1125175571 FWDAKOOKPGWOBG-SBCIHWNMSA-N 427.548 1.795 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(CN2C(=O)CSC2=O)c1 1137631112 DADLIJJEXUDOFK-HNENSFHCSA-N 428.470 1.415 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C2CC2)[C@H](C)C#N)c1 1146385869 RTNMUUKGJBFILR-LLVKDONJSA-N 430.324 1.890 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CCO2)cc1 1179405994 UMYLVXZPWOKFJE-VQTJNVASSA-N 446.463 1.388 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)c(F)c1 1251505110 NFAQNRPNZZTWOX-INIZCTEOSA-N 441.398 1.188 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C 1266191259 YHRAVWOABWINRJ-LLVKDONJSA-N 430.394 2.000 30 10 IDEE CS(C)(=O)=NC(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1274539565 CEVCTAXKDKSDOP-UHFFFAOYSA-N 434.499 1.232 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)[C@H]1CC 1286355128 DTTDRIMCZFYJEB-JOCHJYFZSA-N 449.603 1.771 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286370098 ZQQKQVQOMFNEFW-HOTGVXAUSA-N 428.537 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(N3CCOCC3)CC2)CC1 1286487739 XMQWWQHENISTLR-SFHVURJKSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nccs2)CC1 1286494491 UPMFHKSGAGHBMO-QGZVFWFLSA-N 428.562 1.837 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286546554 BURDJHONCBNODI-CQSZACIVSA-N 441.330 1.490 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286783956 RELOEPCPAPKOCT-HSZRJFAPSA-N 433.516 1.758 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286830150 JEHIQJMESKEVBL-CYBMUJFWSA-N 439.563 1.548 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C(F)F)N1CCOCC1 1300319793 CZRSTQVRSGUDGF-FUHWJXTLSA-N 435.523 1.954 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300495579 INXDKYWXAIPSKO-OALUTQOASA-N 444.557 1.774 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1300511134 GWMVWARDQJBJDD-HNNXBMFYSA-N 435.937 1.694 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCN1CCN(C(C)=O)CC1 1300522599 JMOJWKDDXXCSDD-UHFFFAOYSA-N 441.539 1.730 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1300563438 JNLYKSSIHOSNBC-UHFFFAOYSA-N 425.514 1.341 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300690151 DFQWGAXPLAHCQK-MRXNPFEDSA-N 433.965 1.788 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2sccc2Br)CC1 1300697373 BPKGXXCONGYCQV-CQSZACIVSA-N 449.378 1.857 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2COCCO2)CC1 1300726549 NTSIMDUQNUTWIJ-OAQYLSRUSA-N 437.544 1.559 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301448273 GJQXAQXNEFIBSC-QFIPXVFZSA-N 442.568 1.573 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301491470 JUSCBYMMRRGLQK-HXUWFJFHSA-N 447.543 1.862 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)NC(C)C)C1 1301557024 LSHYFLAGHGKEBF-IAGOWNOFSA-N 427.571 1.281 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1301565887 LDVBROILPAPOEQ-SIKLNZKXSA-N 431.512 1.844 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCC)CC1 1301584945 GROVSDRDIIRNHI-IRXDYDNUSA-N 439.582 1.616 30 10 IDEE Cn1cc(CC2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cn1 1301622698 DWJWTSKWLXXCIF-UHFFFAOYSA-N 427.530 1.394 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCCN2CCC[C@@H]2CO)c1 1302988135 WDIDPCQULKNFTP-HXUWFJFHSA-N 437.548 1.380 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1303474486 BETHBDUXLZRLIK-OXJNMPFZSA-N 439.582 1.882 30 10 IDEE Cc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1304345838 IVAGRZOPYMMSEL-MEUCICPISA-N 439.476 1.293 30 10 IDEE C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1305085064 MUEDUOLHYAAYEO-DHJNYMNESA-N 427.509 1.238 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1313825505 HASKCZQJFMIOEB-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](F)(C#N)C1 1314552154 MPWLTAAYCJPEEN-IBGZPJMESA-N 431.497 1.588 30 10 IDEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1318856126 DNDDJQRNEQUOCL-VXPUYCOJSA-N 428.445 1.023 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1358928207 WFLLCFRJWUQOJQ-QGZVFWFLSA-N 438.536 1.466 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1358960826 MOZGDKBPNKXNSS-JXFKEZNVSA-N 445.570 1.869 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358965198 PWONDJPJTMYYRN-FQEVSTJZSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1358968857 ASFMUJBCJGIHJV-MRXNPFEDSA-N 442.545 1.162 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1CCCO 1358996209 WSKHNHCDUCYANJ-HXUWFJFHSA-N 426.590 1.944 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2C[C@H](C)C[C@@H](C)C2)CC1 1359028075 GPKKPUBWCABGBZ-NHCUHLMSSA-N 443.640 1.930 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccncc2Cl)CC1 1359045012 ULYOOTXPCWUTCW-KRWDZBQOSA-N 441.923 1.292 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(NC(C)=O)nc2)CC1 1359045487 JHYMKOMNMZTVHY-UHFFFAOYSA-N 437.548 1.844 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1359133762 YYDZLNYHMDGTTH-QGZVFWFLSA-N 439.582 1.078 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccn2)CC1 1359135431 CTQLGOBCFQDXBA-UHFFFAOYSA-N 425.537 1.715 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359292705 WFQPVLAIJGZNCN-IVZQSRNASA-N 442.495 1.718 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OC2CCCC2)CC1 1359304002 HVVZHDKNYGFPBY-UHFFFAOYSA-N 430.553 1.631 30 10 IDEE C=CCN(C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)[C@H]1CCS(=O)(=O)C1 1435070223 XHIWEMLPTACSAX-LBPRGKRZSA-N 429.401 1.235 30 10 IDEE Cc1ccc(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1456616109 RHNDETLMUQSNJS-UHFFFAOYSA-N 427.408 1.668 30 10 IDEE C=C[C@@](C)(O)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1463942750 HAKHQWGMMCTABE-WLEBTQASSA-N 436.486 1.802 30 10 IDEE CN(C)CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1471034942 JEYNZVZOPGJCTI-ZDUSSCGKSA-N 448.408 1.593 30 10 IDEE CC(C)CN(Cc1nn[nH]n1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1471646538 YEKYJYOLUAWPHJ-UHFFFAOYSA-N 433.538 1.483 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OCC 1475305251 KBXKWRZUTRCIKW-LBPRGKRZSA-N 437.287 1.863 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CCO1 1504724010 YSCYTYWUHUBNIW-WOJBJXKFSA-N 427.505 1.864 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1504974872 PIOHJTIVVZQLRG-UTKZUKDTSA-N 434.541 1.381 30 10 IDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCCc2ccccc2)CC1 1505319578 BBFVLVCPQITMJQ-UHFFFAOYSA-N 435.532 1.613 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1505322243 KTRKLUFBKPMRHA-GOSISDBHSA-N 433.472 1.595 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507617354 UNCYFBWKLXHHCI-KRWDZBQOSA-N 447.536 1.274 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507626492 APBASSNDHFWGKY-GOSISDBHSA-N 442.589 1.841 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1507653696 QMIHVYKQIMNBPE-HXUWFJFHSA-N 431.606 1.909 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(O)CC1 1507668845 NKWQYHZAVORHNC-UHFFFAOYSA-N 435.528 1.984 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1507680201 ZKTUSEMAQKQWFL-CQSZACIVSA-N 438.554 1.699 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1507840020 IKEANDNGLNKPHF-INIZCTEOSA-N 442.520 1.769 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1)C1CC1 1507987679 JLIZFWRIRJZYOJ-HNNXBMFYSA-N 442.549 1.672 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1508085124 FSRPAQFSMDITSW-INIZCTEOSA-N 445.474 1.136 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1508142304 SCNMRRBGWIXSER-WMZOPIPTSA-N 447.536 1.963 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1508422720 DWVITZIDKTXEQK-NVXWUHKLSA-N 445.545 1.986 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1515444094 TVBQUBFXAMKLGC-MRXNPFEDSA-N 432.477 1.600 30 10 IDEE CC(C)CNC(=O)C1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC1 1516394500 PESRXJHEBNTLMG-GOSISDBHSA-N 439.516 1.964 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1516955581 FMFJBVJMALSGMM-XUTLUUPISA-N 441.536 1.377 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519523971 SAIKSXXEWHRDJZ-KRWDZBQOSA-N 445.505 1.074 30 10 IDEE CCCn1c(N)c(N(CCOC)C(=O)C#Cc2ccc(C(F)(F)F)cc2)c(O)nc1=O 1522079697 CPPJOHXALLVHOI-UHFFFAOYSA-N 438.406 1.991 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1526043465 UVXIOFPLBYZKDI-ZWOKBUDYSA-N 449.573 1.777 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2cccc(OC)c2OC)[C@H]1c1ccnn1C 1537843914 DJOHZVNFJRLRIA-DJKXOVBDSA-N 427.461 1.107 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539132859 RTZAOWSWFJCDQS-INIZCTEOSA-N 445.570 1.310 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)[C@@H](C)CCC 1539154711 MQIBPECMYVZHOP-INIZCTEOSA-N 431.562 1.970 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1539325781 NNPOQDPLWJMKLQ-MRXNPFEDSA-N 431.493 1.256 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1539422832 MGCUFLLCGGJMMR-RTBURBONSA-N 443.552 1.494 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1539491023 KLIZMUJLWYHMMT-UHFFFAOYSA-N 427.534 1.397 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540044227 PGXWUOMYMABLJK-QGZVFWFLSA-N 425.537 1.805 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1540871187 GFFDLXNJTIZSNU-UHFFFAOYSA-N 430.557 1.573 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nnn(C)n2)C1 1540883470 AJYFSDUAIZPWDC-CYBMUJFWSA-N 448.329 1.399 30 10 IDEE CC(C)(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1541147170 MDVUAXKITMEULX-NOJWBWKLSA-N 441.536 1.349 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1545713446 SOAOHPFGGRTQGZ-INIZCTEOSA-N 436.520 1.823 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547242299 AQASKTBGNLSVHC-SFHVURJKSA-N 438.536 1.292 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCOCC(F)F)c1 1555988356 YGJHDDCRGPVUKP-INIZCTEOSA-N 431.447 1.702 30 10 IDEE C=CCC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1556642245 GCNPOPCKXMWZAY-CQSZACIVSA-N 433.324 1.742 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2cnc(Br)cn2)C1 1564531575 VAXVEEJJWAGAPZ-CMPLNLGQSA-N 425.287 1.797 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc3ccccc3c2)CC1 1565165589 QITADWRMPOBIAQ-UHFFFAOYSA-N 428.558 1.912 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2)cc1 1565265292 GTZWOATTWUCTOJ-OAQYLSRUSA-N 441.576 1.908 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1568508291 LWIGDSSHJJXHAN-WZONZLPQSA-N 442.516 1.801 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1570505414 DLGOTPGHPJIOJC-BIVLZKPYSA-N 428.551 1.364 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1587411779 SLFYIYFMWMDNRZ-MOPGFXCFSA-N 436.530 1.724 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1587639154 KPUSDHIWIOYRCM-BEFAXECRSA-N 445.545 1.147 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1588139543 OUNQDIPEBBWVJJ-XLIONFOSSA-N 440.525 1.831 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1588149022 CZTDQZUMFBTXGZ-FQEVSTJZSA-N 430.487 1.820 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CC1 1588613091 RYRCWPWJOJHMCY-UHFFFAOYSA-N 432.502 1.337 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CC(N)=O)C1 1589089720 WRAMYZZUDMMFFM-QGZVFWFLSA-N 437.573 1.975 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1589304889 LWDJFKXKJYIVGU-CXAGYDPISA-N 430.347 1.873 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1595477253 SMPKKFNLYWDWTH-CVEARBPZSA-N 442.495 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595772913 JJHFIBRALFSNIM-IBGZPJMESA-N 435.506 1.478 30 10 IDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 1615703465 AJPNVURAEXJQLS-SFHVURJKSA-N 425.518 1.705 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N 1620040008 PYUKNZPAVBIZJT-MRXNPFEDSA-N 427.509 1.578 30 10 IDEE N#CCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1623321241 CHGRXRIHNGIJSV-UHFFFAOYSA-N 426.498 1.891 30 10 IDEE C=CCOc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 1623716238 USMJTWOHERVNLV-UHFFFAOYSA-N 438.527 1.250 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCc1ccc(F)c(Br)c1)c1cc[nH]n1 1626270084 LLPZPQGCJCOSSD-UHFFFAOYSA-N 441.257 1.954 30 10 IDEE C=CCn1cc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)nn1 1626977533 XASWTMMPTOFAKX-LJQANCHMSA-N 449.533 1.245 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCC4(CCOCC4)O3)CC2)cc1 1627077776 AEWROUSIBBYCRP-LJQANCHMSA-N 447.557 1.803 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 1630447165 BWIAKMCUJNGNEV-UHFFFAOYSA-N 430.549 1.804 30 10 IDEE C[C@H]1C(=O)N(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C(=O)N1C 1633414828 UKBGVDMTJMRJQL-LRDDRELGSA-N 427.461 1.706 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 1638688376 OFRLOABZOLYNST-UHFFFAOYSA-N 449.479 1.904 30 10 IDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCCc2cnn(-c3ccccc3)c2)c1=O 1641148286 IAAVIZSTTFFIHE-UHFFFAOYSA-N 446.511 1.097 30 10 IDEE C#CC1(F)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)C1 1651092121 DQRIAYGYSJLDBK-UHFFFAOYSA-N 429.473 1.921 30 10 IDEE N#CC1(C[C@@H](O)CN2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCOCC1 1658643453 LIPGWCGGKRLYRG-ZACQAIPSSA-N 433.471 1.606 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)c1ccccc1 1682352517 OFWBGACZSUMXRI-IBGZPJMESA-N 438.509 1.572 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CCO2)c1 1683513255 AEZPQAXNAIAKAZ-HKUYNNGSSA-N 427.482 1.876 30 10 IDEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1683729099 UNJLZFRPJVYVOB-UHFFFAOYSA-N 444.897 1.195 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(n3cc(Br)cn3)CC2)n1 1685137458 LIYHFEIFCFAIMV-UHFFFAOYSA-N 435.326 1.823 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1689945885 KENZDOWTQDMEAN-AWEZNQCLSA-N 433.534 1.664 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC(C)(C)C1 1690009923 OSMHUFSTZMYQTH-UHFFFAOYSA-N 435.528 1.900 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1690045019 DPZNKEOJNBKNHF-IBGZPJMESA-N 428.500 1.834 30 10 IDEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)c1ccccc1 1690441654 DFRUTRHGGGWATM-WBVHZDCISA-N 432.550 1.184 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1690660888 QDRJHNFWEMPYGW-OAHLLOKOSA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 1690675377 YNSOKBBODFZICL-UHFFFAOYSA-N 436.516 1.702 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)[C@H](C)C1 1690839953 ABQSAJZLBHLSHI-DNVCBOLYSA-N 435.532 1.788 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1692662959 NALOCLKNCOSMMV-CRAIPNDOSA-N 441.511 1.992 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1694352662 DLWQGZFRLTXGMZ-JXFKEZNVSA-N 435.598 1.363 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC 1696470420 BNOKRGCUWPRDSN-UHFFFAOYSA-N 439.563 1.122 30 10 IDEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1697458731 DNPJQKMDWQXTTP-QHCPKHFHSA-N 447.499 1.882 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1697788420 YGICVLCXDYQUGY-DOTOQJQBSA-N 446.483 1.990 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1705542085 YFCXTJFCDQHJOH-DYVFJYSZSA-N 445.467 1.408 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1705577351 ZYJQHTRCZWUKIC-UHFFFAOYSA-N 439.541 1.615 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705611851 QZIWJOAJPWWBNN-OAQYLSRUSA-N 436.560 1.694 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1705628371 DYCKGAUXSLENOE-UTKZUKDTSA-N 438.594 1.598 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705659029 JMRFLRJJBQJWRS-IRXDYDNUSA-N 432.594 1.584 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1705716523 NPMSLFMUNRURRP-BZSNNMDCSA-N 441.598 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705937798 FHCJFVDJBGUNHI-OALUTQOASA-N 449.625 1.659 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCN(C)C 1707668853 PLWUIWFERDAFFW-QFIPXVFZSA-N 437.592 1.932 30 10 IDEE CO[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712058104 HWDYDUVLDVUKHC-QBEKEKFNSA-N 437.504 1.406 30 10 IDEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1712234330 AJWGJAHNSNLRBM-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)CC1 1712887234 YXORSUAGZQUWPP-HXUWFJFHSA-N 443.596 1.767 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)c(OC)c1 1722275852 GLLCMGDZVDERJP-HUUCEWRRSA-N 435.550 1.802 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@H]2C)CC1 1722442362 YWTPAHZGZVAEJM-MSOLQXFVSA-N 442.589 1.697 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1722461755 PXTOKNOESVIYNL-CVEARBPZSA-N 427.596 1.214 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722606637 RSVDHFAEELLZNT-MRXNPFEDSA-N 441.540 1.289 30 10 IDEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1728704842 CHIBSVMOIPJCQX-DLBZAZTESA-N 430.513 1.568 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1731008646 BIPPDWLCUFINRE-IBGZPJMESA-N 427.530 1.992 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(=O)N(C)CC)c1 1740563241 RKMXUEJXCLZOID-GOSISDBHSA-N 438.532 1.707 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740589761 BEYCGGOTRNDOAJ-QGZVFWFLSA-N 448.618 1.681 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCOCC1 1740660534 VEIQSQBDYGOACT-UHFFFAOYSA-N 431.924 1.863 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)OC(C)(C)C)CC1 1740695232 JRKJFGSKQAYSEP-UHFFFAOYSA-N 425.537 1.928 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740710050 PMASDGQCOIQKMK-FIKGOQFSSA-N 433.578 1.653 30 10 IDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740884750 LLEDONJOLOIDON-GOSISDBHSA-N 439.520 1.714 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740955949 JDNDRBFNWGXDCO-INIZCTEOSA-N 449.519 1.088 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1740959793 FDRKWGODJDWJAQ-GDBMZVCRSA-N 443.504 1.155 30 10 IDEE Cc1cccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742314820 AIPGDSAJPBKETK-XOMICKMZSA-N 437.504 1.648 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(OC)nc1 1748776780 PSNPNQGCCYMXNO-UHFFFAOYSA-N 440.529 1.717 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1748922827 NFMJLKYOPJIFJF-UHFFFAOYSA-N 440.529 1.878 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1749037389 CJJLESHKGFOORX-VQIMIIECSA-N 441.623 1.604 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749115783 VYOLXUDBYZXDMM-BBWFWOEESA-N 445.524 1.667 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1csc(CC)n1 1749732073 OTDJUZLIFRQGCD-CQSZACIVSA-N 438.579 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749738770 XBYKVKQGWJCYQZ-OAQYLSRUSA-N 447.561 1.468 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1749932007 AIMATEJGXCNTIE-OAQYLSRUSA-N 445.527 1.977 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1751097600 OLPBWVLKZHLKOU-DLBZAZTESA-N 425.541 1.541 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1751281686 FICQBOWUYNVRRF-NHCUHLMSSA-N 442.545 1.298 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1751432900 PJMNTXYNFSGIRW-IEBWSBKVSA-N 444.561 1.332 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1752278761 NEUKEZWGIVERDZ-YOEHRIQHSA-N 446.458 1.820 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760173266 POMXSCMZXYBIRM-VZCXRCSSSA-N 436.472 1.558 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1760189787 WTJUPKTUWPWNMW-IRXDYDNUSA-N 449.602 1.806 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(N2CCOCC2)CC1 1760246733 AVFYWVSVDYRVDF-UHFFFAOYSA-N 430.940 1.944 30 10 IDEE C#CCSCCn1c(N2CCN(c3cncc4ncnn34)CC2)nnc1C(C)(C)C 1760286276 GVFRWMXQWQCVED-UHFFFAOYSA-N 425.566 1.706 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760328580 YAHBGWVNDIONTO-WIYYLYMNSA-N 434.585 1.442 30 10 IDEE C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760345152 LKYGHQWYBNPYFP-OAGGEKHMSA-N 437.566 1.858 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(F)cc2C1 1760515549 XPXWMMMVELGYDP-UHFFFAOYSA-N 435.463 1.929 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1760534557 BFRNELFDQLTILH-KSZLIROESA-N 442.520 1.758 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(CC)C1 1760549021 VCLVCUMPCBRBSW-FQEVSTJZSA-N 448.549 1.532 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCC(C)(C)C1 1761482278 HKHDQKVWFWHFOK-BEFAXECRSA-N 441.577 1.452 30 10 IDEE CCC[C@@](C)(O)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1763754938 GWDOFEQHTZHANJ-IIBYNOLFSA-N 428.541 1.742 30 10 IDEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(CCO)CCOCC(F)(F)F)cn1 1769016648 ZADDIONMZDUBOX-UHFFFAOYSA-N 449.437 1.976 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC[C@H]1C 1769089938 IBDKVPTTZRYKPS-FHLIZLRMSA-N 437.504 1.666 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1769357212 GZDPTBPJSICNLZ-SFHVURJKSA-N 439.520 1.617 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnccc2OC)C[C@H]1O 1769449961 WYJNHUYBMKVMBY-IEBWSBKVSA-N 448.483 1.629 30 10 IDEE COC(=O)C1CCN(C(=O)CCC(=O)NCC2CCN(c3ncccc3C#N)CC2)CC1 1852292571 ZGAVYCDBCQRTNX-UHFFFAOYSA-N 441.532 1.478 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)N=c2[nH]n(-c3ccccc3)cc2C#N)CC1 1852935186 HMXVGIVKOVKHKF-UHFFFAOYSA-N 442.479 1.722 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)NCC3(C#N)CCOCC3)CC2=O)CC1 1853152384 ORNZSRJMVABNGW-MRXNPFEDSA-N 434.537 1.671 30 10 IDEE CCC[C@@H](F)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854206735 RDDIXNZAKFXPQY-DLBZAZTESA-N 436.509 1.130 30 10 IDEE CN(C[C@H]1CC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1856235671 NMMBZGPSORYSIH-YPMHNXCESA-N 428.390 1.134 30 10 IDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1857490988 XGBFLFXYPYOBDO-HZPDHXFCSA-N 425.576 1.784 30 10 IDEE C=CCNC1=C(c2ccc(OC)cc2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863671275 BPXQWRXQTNXCGG-UHFFFAOYSA-N 441.509 1.441 30 10 IDEE C=CCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873594311 RKHMQAQLWZIGOR-INIZCTEOSA-N 442.520 1.805 30 10 IDEE COCCn1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cn1 1890125422 UKSZHMWNSYPNTH-UHFFFAOYSA-N 431.581 1.180 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1896122608 RUMCJYAJDXOHKA-BZUAXINKSA-N 425.526 1.780 30 10 IDEE C=C[C@H](N)C(=O)Nc1c(I)nc(C)nc1I 1986014831 LLYXYRGDGRXBJS-YFKPBYRVSA-N 444.014 1.446 30 10 IDEE C=C(CS(=O)(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903266 FOTYSPIGRNMQBG-OAHLLOKOSA-N 446.375 1.729 30 10 IDEE C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247906553 ZWQCQNWMKIHYNL-HNNXBMFYSA-N 435.355 1.291 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2248475567 CWBXOJWXTPKCJI-XOBRGWDASA-N 426.319 1.023 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCCNC(=O)OC(C)(C)C)n1 2255633683 FSESKBSMXQXWGN-UHFFFAOYSA-N 438.334 1.778 30 10 IDEE Cn1cc(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255820545 RQYOTMBSBXWXOC-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2256621356 TZUPTCIZXFIWER-UHFFFAOYSA-N 432.330 1.528 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC2(C)C)n1 2267114709 CAFAIXKDVHDQNB-ZDUSSCGKSA-N 449.361 1.632 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H](O)COCc1ccccc1 2267529051 IWGBZOPNJFGQBH-SFHVURJKSA-N 443.353 1.677 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H]2COC[C@H]21 2267553293 YJSDZCAHKLYJIH-DLBZAZTESA-N 447.341 1.774 30 10 IDEE C[C@@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)C(F)(F)F 2267592360 DGMUKTYERABMDD-DOMZBBRYSA-N 441.259 1.910 30 10 IDEE COC(=O)[C@@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2268608798 JBRSFLWHMAHFSD-CYBMUJFWSA-N 449.313 1.776 30 10 IDEE Cc1c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2269071610 TTWJZSSRVAHGMY-INIZCTEOSA-N 443.309 1.428 30 10 IDEE Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593535 RWXHDUWMROOVIY-LJQANCHMSA-N 449.364 1.878 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C 2315529106 QRCRTSMEQUTHDW-UHFFFAOYSA-N 436.362 2.000 30 10 IDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2365206968 KKKBAMNQUUJXED-LJQANCHMSA-N 436.574 1.955 30 10 IDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2N)cn1 20920445 CANXLZGEOSHPMD-CGOBSMCZSA-N 428.478 1.919 30 10 IDEE N#C/C(C(=O)NC[C@H]1CCCO1)=c1/s/c(=C\c2cccs2)c(=O)n1-c1ccccc1 103369448 QTJUBBQJNIXKPS-DUXUKVSRSA-N 437.546 1.759 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409816656 DWPHDDJWVRBDAC-QMTHXVAHSA-N 425.454 1.573 30 10 IDEE COCCN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1=O 469692047 UTLOTXRGIZQHPZ-UHFFFAOYSA-N 427.505 1.737 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)C1=O 473643433 ODPSHYJYZDFAKV-UHFFFAOYSA-N 446.510 1.224 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1C#N 489249458 HICUEOCYJBJVIZ-MRXNPFEDSA-N 438.506 1.532 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1C#N 489662601 FXXKLLYMYRXIOP-OALUTQOASA-N 425.514 1.139 30 10 IDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 523623423 GKSJCSZXCQCRFV-ZDUSSCGKSA-N 427.910 1.634 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 532755369 JWQOZGRAWAUXNQ-SFHVURJKSA-N 445.589 1.353 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCOC3)c2=O)c1 538497215 IOMOXMOZCOAGRO-HNNXBMFYSA-N 441.553 1.777 30 10 IDEE CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542726789 DJJFALSYZLCAQM-AWEZNQCLSA-N 444.513 1.191 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)n1 544834039 TUJUECRPFHROBM-FQEVSTJZSA-N 439.541 1.845 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)CC2)n1 545461567 QBSLJEUHUOMDKE-GOSISDBHSA-N 445.479 1.691 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(-c4n[nH]c(C5CC5)n4)c3)CC2)n1 545491379 IPYPCSRYSZRSJE-UHFFFAOYSA-N 442.483 1.903 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 549681886 RXCXABUQBJOUDB-IAGOWNOFSA-N 437.570 1.183 30 10 IDEE CSc1nc(O)c(C(=O)NC[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1C#N 552281191 KYWFBUCYSNTPIC-LBPRGKRZSA-N 428.518 1.708 30 10 IDEE N#Cc1ncn(CCNC(=O)c2cc(Br)cc(I)c2)n1 552326838 AUMVUNUITJHAHY-UHFFFAOYSA-N 446.046 1.947 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCO2)CC1 559224188 JXNCGHHIQPVVSP-IBGZPJMESA-N 439.564 1.642 30 10 IDEE CCOC(=O)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C1C2CC3CC(C2)CC1C3 568890839 YYRNXNJUUKTOGG-WKZQYRDASA-N 425.551 1.297 30 10 IDEE COc1cc2c(cc1OC)CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 579295185 OQNQWHHWECAMOV-UHFFFAOYSA-N 429.498 1.481 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1 586003182 DEHRSWXBHQYMDS-IBGZPJMESA-N 440.525 1.843 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 590914338 KFPRTSBVPNZJRA-KRWDZBQOSA-N 429.517 1.503 30 10 IDEE CCOC(=O)CC(C)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C\c1ccccc1 606348196 XFNPFRIKDJTZPM-VZOUHKIYSA-N 438.488 1.888 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccnn2-c2ccncc2)CC1 615025046 AXGIQAMNZBUHRZ-UHFFFAOYSA-N 431.456 1.979 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)/C=C/c1ccccc1Br 731851183 LAGVJFXUOJVLGJ-BTTWLWSCSA-N 426.292 1.866 30 10 IDEE N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCN1C1CC1 732648322 DDBSPFTZIIUXOC-XISXUPMFSA-N 428.558 1.898 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 742805662 NMTMFMPUOKELCN-UHFFFAOYSA-N 429.458 1.526 30 10 IDEE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCc1ccnc(C#N)c1 746953425 HYPBBDHZAQXOFP-VLIAUNLRSA-N 425.466 1.878 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)NC[C@H]1CN(CC(C)C)CCO1 749929155 JJKBRTOMTYLPIZ-KRWDZBQOSA-N 432.521 1.225 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1-c1ccccc1C#N 758583435 DXWJBSRAMKGYAG-UHFFFAOYSA-N 435.534 1.600 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1)C2 758757813 HLSAVNOGWSJLFF-CGBFIWBNSA-N 446.596 1.698 30 10 IDEE CN(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 760405322 FFQUFEFJPVQBEA-UHFFFAOYSA-N 447.966 1.881 30 10 IDEE N#CCCCS(=O)(=O)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 776122173 MBJDSDBTAZHUCU-UHFFFAOYSA-N 428.264 1.185 30 10 IDEE CCC1(CC)CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 779361234 QYWICHRFNLROQW-CQSZACIVSA-N 441.575 1.320 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(C)C)c2=O)c(C)n1 781648099 DCLGIXVBEDRURO-UHFFFAOYSA-N 440.569 1.712 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2ccc(Br)cc2)n1 788818854 AOXNFISKNDGCRQ-UHFFFAOYSA-N 433.306 1.684 30 10 IDEE CCn1ncnc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 794424484 MAGQCNIOZANOKR-KRWDZBQOSA-N 443.577 1.806 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 800776908 LJYRJQXKLOYDQT-LJQANCHMSA-N 445.520 1.904 30 10 IDEE CCc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)o1 803915033 VUDRNBOEDGDISG-UHFFFAOYSA-N 446.485 1.107 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 809895995 CCMABAAEVZBJAT-MOPGFXCFSA-N 449.577 1.665 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CNCN(c2ccc(Cl)cc2)C1 812183464 CUPZFXASILCINV-CQSZACIVSA-N 439.973 1.907 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C(F)F)C1 813806245 MSYAVAJVZKEKGE-OPGVCCBYSA-N 428.436 1.616 30 10 IDEE CCCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 915393985 PKYXGGIFUVGVJU-HNNXBMFYSA-N 430.505 1.816 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 917687749 DEXGJNLIKDSFCO-LYBHJNIJSA-N 439.497 1.848 30 10 IDEE C#CCN(C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)[C@@H]1CCS(=O)(=O)C1 918756425 SVWFABFSVKQCRU-CYBMUJFWSA-N 443.451 1.341 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 1084475020 JXCBQSCNZKSSBL-UHFFFAOYSA-N 429.462 1.226 30 10 IDEE Cc1nc(=NC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n(-c2ccc(C#N)cc2)[nH]1 1126497383 ZFSJPTXFGMBBOM-QGZVFWFLSA-N 438.488 1.388 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)C(=O)OC 1139176359 XKRRCOVNYALVAB-CABCVRRESA-N 426.416 1.753 30 10 IDEE CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](Cc2ccccc2)C1 1144880090 WZMBLCCNANXETK-LJQANCHMSA-N 440.569 1.891 30 10 IDEE CS(=O)(=O)c1ccc(-c2csc(CC(=O)N3CCN(C(=O)CC#N)CC3)n2)cc1 1150000150 IFXPFELQIGUUPO-UHFFFAOYSA-N 432.527 1.341 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)s1 1152331389 WDTXJHXZAXMSFM-QGZVFWFLSA-N 448.570 1.457 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(CC#N)n1 1153246264 VBQUHAXEXXICKY-MRXNPFEDSA-N 434.905 1.973 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)n[nH]2)c1C 1156391782 CVSBBFDVSLHDNW-INIZCTEOSA-N 432.550 1.716 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1)c1cc[nH]n1 1157594929 VXOIBCYXBDUSHN-LLVKDONJSA-N 440.382 1.518 30 10 IDEE C[C@]12CN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)C[C@H]1CS(=O)(=O)C2 1158353607 AAASOFFSSGZCOZ-MGPUTAFESA-N 443.485 1.879 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 1191919935 FXYLAVVNWUMADO-GOSISDBHSA-N 447.513 1.595 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1286272342 AYLLCVPYEZMNRO-ZDUSSCGKSA-N 435.326 1.743 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1286442608 GNNXNLSOGZQFJW-MRXNPFEDSA-N 433.516 1.974 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1286478599 GVYCHAUHQVNVEG-HTAPYJJXSA-N 429.952 1.817 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286544502 XHCWLPCPWFYXBT-SFHVURJKSA-N 437.342 1.954 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286632014 CGTSCPQJLNSCON-UHFFFAOYSA-N 434.932 1.557 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286686378 GTLFMQIBODJTFW-QGZVFWFLSA-N 431.541 1.160 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286790759 OSHSCUNHYSSEGS-CVEARBPZSA-N 445.593 1.491 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286791164 VBMIZJULGMKDHH-KRWDZBQOSA-N 442.545 1.207 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2snnc2C)C1 1286798963 PXLBMBWARRTYGU-AWEZNQCLSA-N 426.506 1.915 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1286811660 DCOADFMDEALBNR-ZCNNSNEGSA-N 446.596 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1286821538 OMAZWOZOGKVXJD-MRXNPFEDSA-N 435.525 1.311 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1286966574 ATFRESMMXBCGAD-OAGGEKHMSA-N 447.540 1.461 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCn2ccnc21 1288817628 PPIHZJUPJROHQE-HZPDHXFCSA-N 446.581 1.792 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCn2cnnn2)c1 1300332390 DIYVYPWLWFKQND-UHFFFAOYSA-N 442.487 1.473 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300490011 XHYJVKGWJMBXGY-QGZVFWFLSA-N 447.948 1.967 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC1 1300559470 QEGKIPAKGOLKEC-QHCPKHFHSA-N 427.549 1.258 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)C(=O)NCC)CC1 1300701154 IPWPHWARNIGRHX-UHFFFAOYSA-N 426.540 1.926 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2(OCCOC)CCOCC2)CC1 1300710876 ORATWRZXXIDVNF-LJQANCHMSA-N 433.553 1.097 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301000204 MRXHNLQESPTBAF-NRFANRHFSA-N 443.596 1.891 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301485107 QZGNQBMHMOSMMD-QVKFZJNVSA-N 442.476 1.540 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301497876 GHKWMHZWAMVMJT-IRXDYDNUSA-N 428.468 1.248 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1301670950 CUOFCLKOOAONNV-GCJKJVERSA-N 427.553 1.903 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCOC2)C1 1302496626 YDVXHKABOMAWNX-HXUWFJFHSA-N 430.534 1.373 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 1302925149 XZIHZSRKDZNMIG-UHFFFAOYSA-N 426.272 1.697 30 10 IDEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CCCO1 1305219245 ADMSDJAXTZUIMX-SFHVURJKSA-N 429.569 1.641 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CC1 1309437622 TZWFWIOXCZKGMH-HHHXNRCGSA-N 437.465 1.740 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1315800335 XFOCXGAQZFGMLF-OALUTQOASA-N 441.536 1.427 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1315813568 QQNJKKFFZRVNSC-RTBURBONSA-N 442.495 1.629 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CCSCCCO)c1 1316531266 NHEYNUJAUKQQHQ-UHFFFAOYSA-N 426.546 1.743 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)CC2)c1 1316532995 DIOZMIZGVDZFCM-HNNXBMFYSA-N 446.462 1.104 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nn1 1351297330 UTNJSAJUDMFAQF-UHFFFAOYSA-N 430.317 1.918 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 1353692722 YAVWKMPLUFWXFD-SFHVURJKSA-N 438.550 1.041 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1358894945 ZUEPYJVWROACGE-MRXNPFEDSA-N 429.550 1.302 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](C(F)F)N1CCOCC1 1358900866 UMEYRIHOBGAIEA-OWSLCNJRSA-N 441.523 1.816 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1358964553 BAZVMDRDUFCHFI-LJQANCHMSA-N 443.573 1.282 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1359231155 PEBZDDLBZHRSGF-MRXNPFEDSA-N 429.550 1.804 30 10 IDEE CC(C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359685627 YZOLMPZNQYZUJA-ZZEZOPTASA-N 445.568 1.475 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)CC1CC1 1359821328 HOYFWESEXSZDBS-UHFFFAOYSA-N 444.561 1.836 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCN(C)C)cc2OC)c1 1451462935 XOSDAJXCPPSZAO-UHFFFAOYSA-N 431.514 1.799 30 10 IDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1465165971 HDJWMKVVJFDMBT-MRXNPFEDSA-N 427.486 1.891 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1)c1cc[nH]n1 1466025194 MHBAPTVCDMWYKY-INIZCTEOSA-N 430.461 1.486 30 10 IDEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@H]1CCCN(O)C1=O 1468451615 BLQGUFXQAUGCAE-HOTGVXAUSA-N 437.294 1.474 30 10 IDEE C=CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)[C@@H](C)COC 1470065334 GPWUCHOZUDKDLE-YLFCFFPRSA-N 430.567 1.706 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1470932934 ACLKTEXSJBAGCV-UHFFFAOYSA-N 449.252 1.680 30 10 IDEE N#C[C@]12CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1471198499 WBMZAYNAKIFRPV-XHDPSFHLSA-N 443.279 1.437 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H](C)[C@@H]3CN(C)CCN3C)c(C#N)c2N)cc1 1471602836 SYQFKGNZDVEFRD-UTKZUKDTSA-N 438.580 1.501 30 10 IDEE Cc1cc(C(F)(F)F)nn1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1471892091 RQPPBQUFXJHZDR-UHFFFAOYSA-N 443.451 1.845 30 10 IDEE C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1=O 1478705140 AIJLITQYRYVLPZ-YZZRYBLGSA-N 448.520 1.457 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1503808056 COASTXMHTZQTSN-HXUWFJFHSA-N 448.531 1.672 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4CCCC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1505316804 LIVVSWSJCBBVAL-QGZVFWFLSA-N 429.475 1.873 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](COC)OC)c1 1507551116 ATWWRWJUFBKRID-RTBURBONSA-N 427.505 1.847 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1507631068 LIIKRCCXBWYGTN-FQEVSTJZSA-N 438.557 1.916 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1507654643 NQLZGHYIFNRHNJ-UHFFFAOYSA-N 441.919 1.865 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1507711163 PEUDLZIPSCTJGL-GOSISDBHSA-N 447.561 1.148 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@H]2COCCO2)CC1 1507739942 LXQCOQZLVJQFNK-FQEVSTJZSA-N 438.532 1.035 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1)C1CC1 1507989808 AMQHRHQADUDXQC-CYBMUJFWSA-N 436.513 1.821 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1508081983 QSIQFXKYFGYFNE-NVXWUHKLSA-N 441.536 1.992 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1508092898 SKCANXBDNXJFON-HUUCEWRRSA-N 427.596 1.204 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1516783816 IMDNIFWWAJDKJD-LPHOPBHVSA-N 447.561 1.882 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C[C@@H](C)O1 1518912458 AXUMJUGLNMUFKJ-VQIMIIECSA-N 426.521 1.972 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1519161663 AEYGBTIJPNQYKT-UHFFFAOYSA-N 432.488 1.436 30 10 IDEE N#Cc1ccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2CC2(O)CC2)cc1 1521082759 MDXKJEKMDIKHCU-UHFFFAOYSA-N 425.411 1.719 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CCCC(F)(F)F)c1 1521082879 PILNLORTXAOASC-OAHLLOKOSA-N 447.421 1.306 30 10 IDEE COCCCN(C(=O)c1ccc(C#N)n1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1523798083 ZVTRHIHTSSRBFV-UHFFFAOYSA-N 436.472 1.473 30 10 IDEE COc1ccc(CC(=O)NCc2ccc(C#N)s2)cc1S(=O)(=O)N1CCOCC1 1536695402 VJNJKUKSQZQOOV-UHFFFAOYSA-N 435.527 1.508 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(OCCOC)CCOCC2)CC1 1539447129 OLHKYQPOHPVIMK-HXUWFJFHSA-N 447.580 1.140 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(=O)N(CC)CC)CC1 1539828840 PTVDANLLKWEWLE-INIZCTEOSA-N 426.587 1.693 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(CC(=O)OC)c2cccnc2)ccc1F 1540318350 FEBHPQJZGVXGOC-FQEVSTJZSA-N 435.477 1.893 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1540874026 SEIUICUABZYYNC-INIZCTEOSA-N 444.561 1.453 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2CC)C1 1540890158 AWMMPDUJSSQBFJ-CRAIPNDOSA-N 427.553 1.917 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1541803074 BWZSLRXTSUHPNA-ZACQAIPSSA-N 425.555 1.362 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1546577549 KPFYFPWPFLUDNH-HXUWFJFHSA-N 437.548 1.644 30 10 IDEE CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1554486998 FLFQJIFLIPZHTB-FQEVSTJZSA-N 431.500 1.850 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555147191 CWJYFGIKGQHAHQ-LQTLECTNSA-N 447.499 1.958 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1555266602 KDLYTJNWQWLFBO-YOEHRIQHSA-N 436.513 1.271 30 10 IDEE C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1567821752 WJVHQQICEJCPTI-NUXKCHKQSA-N 433.597 1.915 30 10 IDEE CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(C#N)nc1 1585294653 VNXQHCFSRMHYKM-AWEZNQCLSA-N 429.458 1.925 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c1 1586775506 ICMXJVYKMIQJOG-UHFFFAOYSA-N 436.509 1.923 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1587878598 BNPBHLYAEGHOSW-LJQANCHMSA-N 438.580 1.342 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC(F)(F)CO1 1588581341 NZAVDRMBJHTXMX-APWZRJJASA-N 428.480 1.829 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NC2CCCCC2)CC1 1588751470 KZHQDKBEXIAZDB-QHCPKHFHSA-N 444.580 1.134 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1589304892 LWDJFKXKJYIVGU-SUMWQHHRSA-N 430.347 1.873 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCCCC2=O)CC1 1594013043 BFYPDFDTQDCAFC-KRWDZBQOSA-N 438.598 1.837 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nnc1C(C)(C)C 1595602789 RFBJRFCLXFYCPK-UHFFFAOYSA-N 428.512 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595772808 HIQLOPHUIBOVBY-JXFKEZNVSA-N 436.534 1.832 30 10 IDEE Cc1cc(C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)nn1-c1cccc(C#N)c1 1597491012 MFPHSMFAPJMNDZ-UHFFFAOYSA-N 444.495 1.557 30 10 IDEE COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1619594989 ZGOFKWNXHIQUCS-QYZOEREBSA-N 426.521 1.821 30 10 IDEE COCCNC(=O)Cn1cc(NC(=O)c2cccc(CNc3ncccc3C#N)c2)cn1 1620786910 ACXQCWVRWQCXBX-UHFFFAOYSA-N 433.472 1.777 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncns2)CC1 1624629621 IRZQDCQNZZGWGY-HNNXBMFYSA-N 448.574 1.484 30 10 IDEE CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1629159028 NKDCAJDSZZROFF-SFHLNBCPSA-N 449.573 1.641 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1632227572 DMUUGAFQQNEMPW-GOSISDBHSA-N 440.500 1.340 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)n1 1635721213 HMYLZEDBVWIEQM-VGOFRKELSA-N 434.537 1.954 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1639968849 PVRJMGQZIIZLHL-UHFFFAOYSA-N 445.335 1.531 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@H](c2ccccn2)C1 1640743706 RUGCZCMBEUBWQI-CRAIPNDOSA-N 428.514 1.937 30 10 IDEE N#Cc1ccc(Br)cc1OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1643982193 AXZBCKOJWCGPKI-OAHLLOKOSA-N 442.335 1.031 30 10 IDEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1648791100 GQXWRUFOMNSXMA-AWEZNQCLSA-N 433.324 1.742 30 10 IDEE O=C1C=COC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)CC2)C1 1654943756 IXILXZJKRWVYAZ-UHFFFAOYSA-N 446.529 1.433 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)C1 1660786720 OFSLXVOTRUOYPV-KRWDZBQOSA-N 443.552 1.753 30 10 IDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1669662409 FYJTUXRQOHGDMH-BBWFWOEESA-N 426.560 1.376 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CC1 1675876408 AGWIMINGBSJBIA-UHFFFAOYSA-N 438.513 1.643 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)CC1 1687300206 SGFLTJANXOJGLK-OAQYLSRUSA-N 447.605 1.226 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1689847686 FWPBFXSSFZNCFC-HNNXBMFYSA-N 445.483 1.673 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690662345 ZSXHYNCCMWOHBD-ZDUSSCGKSA-N 434.447 1.516 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690678111 LHQDFMBAQJZHBK-ZDPZECHZSA-N 432.569 1.461 30 10 IDEE Cc1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693475379 OSLARZQJNWMHKJ-AYAKEVCGSA-N 443.552 1.490 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697927203 DZTMNGWKYDECOH-QFIPXVFZSA-N 437.504 1.606 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)nc1 1705477435 ODGLLXLMGBWBCG-ROUUACIJSA-N 428.537 1.740 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705549947 NWNCOMHGEMEOKX-PKOBYXMFSA-N 428.562 1.922 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1705564431 ODBSFXMVEAJNMJ-GBESFXJTSA-N 430.530 1.112 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)NCC)CCC1 1705608039 BIGXGRPDBHSJND-UHFFFAOYSA-N 433.520 1.687 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1705636235 CHARVYBPUWJNHM-UHFFFAOYSA-N 443.573 1.676 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705642495 VXTMSHSYEJZQTN-XMMPIXPASA-N 436.560 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCOC[C@H]2CCOC2)CC1 1705644407 PUVOCASADKZFON-GOSISDBHSA-N 431.581 1.985 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705688344 QGCCWCWSYRZPNQ-ZIAGYGMSSA-N 448.387 1.599 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705696030 DTRMZHHRLSTOIT-CIQXWFTPSA-N 430.597 1.947 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@H]2C)cc1 1705910144 SNCCWCANRVNSLA-HZPDHXFCSA-N 435.550 1.727 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1707950942 AECAOBMEGDHWRD-INIZCTEOSA-N 425.562 1.532 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1711015621 IGIBEFKZGJMSMZ-UHFFFAOYSA-N 440.548 1.781 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC2CCOCC2)cc1 1712881481 VNHMIYYPWYBCOR-UHFFFAOYSA-N 429.546 1.971 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)NCc2ccco2)CCO1 1712886168 KOKQVMUJNXJDEF-MRXNPFEDSA-N 440.435 1.634 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1722351174 HUICVAHGAPHIBU-SJLPKXTDSA-N 433.534 1.148 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1722363088 YWDWPDSHDGCDIS-KXBFYZLASA-N 432.575 1.648 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722374246 SABDVBJOIYMWIU-JOCHJYFZSA-N 438.553 1.371 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(F)c2)CC1 1722449519 LGAVAVUSOFMUGB-UHFFFAOYSA-N 438.507 1.554 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722525908 JVLFXQPGCQHLGN-HKUYNNGSSA-N 441.536 1.399 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722693508 QBTQBOBWBYXBIX-NVXWUHKLSA-N 447.561 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722695709 NDMIOFOWGIHYQT-LBPRGKRZSA-N 443.932 1.909 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722717923 OKVWWKZSCUWZDW-MRXNPFEDSA-N 436.534 1.568 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 1722728979 VCAMJONDRYHWSX-UHFFFAOYSA-N 433.582 1.584 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722739843 XSFIVFTWOLBMSL-JKSUJKDBSA-N 434.566 1.468 30 10 IDEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1723050932 YXJWFPXROVINJT-CRAIPNDOSA-N 426.518 1.409 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1723604407 PTAFKRJIBKAKDX-SKOAFDGASA-N 441.536 1.712 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1729209565 RIUYMMUDCJBZMP-LJQANCHMSA-N 444.561 1.763 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1730475975 DBPLGXXCWFCFMH-ZWKOTPCHSA-N 427.509 1.384 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2F)nnc1N1CCS(=O)CC1 1731216594 YDQXZDKRQWJJIO-HTXNQAPBSA-N 444.492 1.179 30 10 IDEE C#CCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1740596541 HTKQFEJNMZNELK-HSZRJFAPSA-N 435.532 1.937 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1740622771 IJMRKFUACJIVGW-INIZCTEOSA-N 442.570 1.974 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740627650 RQXIFZWVAKTBRS-IEBWSBKVSA-N 432.521 1.791 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)c1 1740642022 QPCXQMWLSQNWGH-UHFFFAOYSA-N 432.528 1.358 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCC(=O)N2)CC1 1740707383 ZVKADNIROGWKQM-HXUWFJFHSA-N 434.544 1.422 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCCOC)C1 1740736132 FSCUATBQHMOCMS-AWEZNQCLSA-N 430.347 1.957 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740763153 ZBEFSAGTAAVSBG-HPFXQQBRSA-N 437.566 1.224 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1740788265 QRYJPZMKHTUTCR-GOSISDBHSA-N 448.593 1.808 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCN(C(C)C)CC2)CC1 1740826034 WXUONCFFWGUNMX-SFHVURJKSA-N 437.610 1.572 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740962394 BXBFULODUIDORZ-QGZVFWFLSA-N 440.548 1.431 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNS(C)(=O)=O)C1 1740978240 QGECCMOOGZEBCK-INIZCTEOSA-N 449.533 1.047 30 10 IDEE CC(C)OCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1741758336 GLBLBRMPEACBHE-QGZVFWFLSA-N 448.549 1.349 30 10 IDEE C[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1743043998 SGWCDHFSOGLZLD-MXLIYFDZSA-N 441.536 1.667 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCCC2)CCOC1 1746732640 ARJMBJJHGJHLLA-XMSQKQJNSA-N 446.552 1.452 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CC1(O)CCS(=O)(=O)CC1 1748686505 QMOHCHJXOVBCJG-QGZVFWFLSA-N 446.573 1.817 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1748789936 QQAAUQPRCHCDFE-GOSISDBHSA-N 448.568 1.378 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748820479 CLNGBAVPBKKJAV-SFHVURJKSA-N 444.557 1.707 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1748898083 ACAYJNZDLGLCME-UHFFFAOYSA-N 430.512 1.672 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1748912792 IOWDVZYTIHSCDC-QHCPKHFHSA-N 440.548 1.670 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccc(C)cc2)CC1 1748989167 HBZJTMVPHVDOJY-LJQANCHMSA-N 443.573 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2[C@@H]2C[C@H]2C)CC1 1749015803 NYYFYBRZSHVDSU-GDBMZVCRSA-N 426.546 1.816 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CCOC 1749060241 MBLZLLIGYBWFDE-JOCHJYFZSA-N 435.536 1.491 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1749532971 ZGWJJAAQBJWYEB-INIZCTEOSA-N 443.458 1.675 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749680729 PCDYQBQZVQTDMV-QFIPXVFZSA-N 440.504 1.499 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749729552 NCQQYPXKHGKDNS-UWJYYQICSA-N 447.561 1.715 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1750064295 ZRPXOYKBQLFGSH-HYVNUMGLSA-N 433.534 1.484 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CSCCS1 1750154354 MANTZEDPEPMDAX-VGWMRTNUSA-N 425.580 1.579 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCS1 1750675838 GMFPZFJJVKGLEH-QGZVFWFLSA-N 434.591 1.944 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCSCC(F)(F)F 1751213708 SFHZHUWQMVXIBK-NSHDSACASA-N 440.517 1.924 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760157461 PUDRLKQIDGWEHD-HNNXBMFYSA-N 427.534 1.239 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(C)(=O)=O 1760211743 MAHIMVXROSHREI-UHFFFAOYSA-N 436.541 1.814 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1760261577 UBUHLDHBWFYLNJ-YKSBVNFPSA-N 441.624 1.666 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1760450691 PRILXDLCZMRYEX-ZACQAIPSSA-N 427.571 1.296 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1760495527 QHZLSQZSVFEZPF-MRXNPFEDSA-N 427.596 1.339 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cl)=C(Cl)C1 1760522581 WXJSFJYMKCYJCV-NSHDSACASA-N 434.349 1.382 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](COC)C1 1760526009 ACPOCORRQMWHGP-IBGZPJMESA-N 429.521 1.628 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cn(C3COC3)nn2)cc1C 1761801963 QQDKVZRYWVAWER-AWEZNQCLSA-N 449.519 1.954 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766762152 VRGJDMJVEWHMBX-BJLXPSRBSA-N 429.550 1.491 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1766845011 KWVRRPZJWFKJAF-UXHICEINSA-N 438.532 1.845 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)C2)cn1 1767467231 CKTTXLKCIMWNSB-KRWDZBQOSA-N 440.533 1.093 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1770138756 UGXFBNWRPYZWQC-LJQANCHMSA-N 439.520 1.474 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCN2CCCC2)CCO1 1770746464 GYRBMEURKZWIBL-GOSISDBHSA-N 438.536 1.920 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1772564742 BFBLZXSPKGMIFF-UXHICEINSA-N 445.589 1.703 30 10 IDEE Cc1nc(C(=O)NC2CCN(c3nccn(C)c3=O)CC2)c(C#N)c(C)c1Br 1851657531 QZHAGYRAKBLVKP-UHFFFAOYSA-N 445.321 1.825 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 1854591296 VIJJYXUXTHBKJX-QGZVFWFLSA-N 437.587 1.950 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H]2COc3ccccc32)CCN1S(=O)(=O)c1ccccc1C#N 1855717756 DMXZZHLGRPEVJI-WMLDXEAASA-N 425.466 1.482 30 10 IDEE O=C(N=C1NN=C(c2ccccc2)CS1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1859758300 OTOACYSRRYOLFK-UHFFFAOYSA-N 444.538 1.944 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c(O)c2)cc1F 1862637569 HAFIXLOQTSVAJC-LJQANCHMSA-N 444.415 1.960 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1870098170 QFFGTLRHBJAONC-UHFFFAOYSA-N 430.402 1.865 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCCCCCO 1870582413 FKZADVZTWUHLBP-UHFFFAOYSA-N 447.576 1.813 30 10 IDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871543741 FMUFMXCAYLZRHD-UHFFFAOYSA-N 427.509 1.203 30 10 IDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874273821 HENQOKGJDLABAA-KHAGQWAKSA-N 430.534 1.861 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)cn3)CC2)CC1 1889257483 IMLQIZDFUFUEQG-UHFFFAOYSA-N 435.366 1.716 30 10 IDEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1902045008 DOGOQXZDNQPSOO-CABCVRRESA-N 426.514 1.888 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010545654 XVIXTZMAQZTLCV-PMACEKPBSA-N 427.549 1.822 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c(N)c1 2162567811 KEMWXIXHGOSSKL-ROUUACIJSA-N 430.486 1.503 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2232253319 ZBOCHKXEPSBPLS-QFIPXVFZSA-N 449.357 1.473 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2243416119 HHEQRAIUGGJCIU-KBPBESRZSA-N 428.360 1.959 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)ns2)OC1(C)C 2247917017 APYDQNOMQUELNZ-VHSXEESVSA-N 431.245 1.430 30 10 IDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)C1 2249531500 NWXGCJSZODAFAB-UHFFFAOYSA-N 443.541 1.212 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)[nH]n2)OC1(C)C 2255626712 JJKFKXHRLZIRQR-LLVKDONJSA-N 430.236 1.382 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]2C1 2255632006 HHFQDWMXZHTSQM-KBPBESRZSA-N 432.330 1.552 30 10 IDEE C[C@H]1[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2255844311 UUDVRRITDXFINF-DZGCQCFKSA-N 432.330 1.904 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2255880426 FXYGXIWWJMTMFZ-CHWSQXEVSA-N 435.334 1.147 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267177260 LMVCGSXBZZSXJL-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2267182482 HAOIJDJSSYDDOZ-CVEARBPZSA-N 446.357 1.943 30 10 IDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267360941 YNISOWILGUDBGU-MXUQEVIESA-N 427.806 1.746 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(C)c1ccccc1C#N)NC(=O)OCc1ccccc1 2286031505 PQDZTJCYOKLXHG-QGZVFWFLSA-N 431.470 1.792 30 10 IDEE COc1ccc(NS(=O)(=O)C2CC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2295338463 XIEYINJZCDBBLQ-UHFFFAOYSA-N 425.312 1.642 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2299262613 IWRWZKVZGMYSKR-RYUDHWBXSA-N 438.359 1.749 30 10 IDEE NC(=O)CSc1nncn1N=Cc1cc(Br)cc(Br)c1O 2321268037 VBPAOBXOQGBXGI-UHFFFAOYSA-N 435.101 1.968 30 10 IDEE C=CCNC(=O)CN1CCN(CCCOc2cccc(I)c2)CC1 64139720 PTXVAXDFMJLVHX-UHFFFAOYSA-N 443.329 1.980 30 10 IDEE COCCCN1C(=O)c2ccc(C(=O)N3CCC(CNC(=O)CC#N)CC3)cc2C1=O 219528977 UXTUEOUNEAJHHU-UHFFFAOYSA-N 426.473 1.201 30 10 IDEE CC(=O)Nc1ccc(NN=C2C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)cc1 254700121 DKVAABYUUJNZFZ-UHFFFAOYSA-N 425.430 1.811 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)C2=O)cc1 426241981 FAXKOXACVHJOLS-KOKUJZTLSA-N 432.524 1.862 30 10 IDEE C[C@H]1CCc2nc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)sc2C1 434818996 WNZLLZCRJLEPCL-STQMWFEESA-N 425.518 1.605 30 10 IDEE C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506643009 NCBPZCZZCVRFIQ-WOJBJXKFSA-N 430.597 1.655 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 508917813 VSLTWRNAMIOMQJ-UHFFFAOYSA-N 425.860 1.967 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)n(-c2cccc(F)c2)c1C 510658656 OBVFRHKMYROEQF-KRWDZBQOSA-N 433.509 1.796 30 10 IDEE CC(C)C(=O)N1CCC(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512760079 IAPJXPHIPPEKEQ-UHFFFAOYSA-N 426.452 1.585 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 524499233 RHPLKYDEQJKNGO-UHFFFAOYSA-N 427.549 1.229 30 10 IDEE COc1cc(C(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1OC(F)F 544863856 FKMHKTFOZFFFTL-UHFFFAOYSA-N 445.426 1.642 30 10 IDEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCN(c2cccc(C#N)n2)CC1 546915886 AFZXPUKJDUAHFL-HXUWFJFHSA-N 448.571 1.612 30 10 IDEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586861864 AVLHECJBQOMLOL-AWEZNQCLSA-N 444.467 1.138 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC[C@](C)(C#N)C1 589201815 ABIUZXDIQZGYKK-OAQYLSRUSA-N 434.562 1.787 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cc1F 609450131 BBJOZDLUBYSDTP-KRWDZBQOSA-N 441.528 1.662 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C(C1CC1)C1CC1 609703685 AXZURNJVWBTITO-UHFFFAOYSA-N 435.549 1.633 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)CC1 614545012 HJHVWRDYXQQYCK-UHFFFAOYSA-N 447.337 1.398 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCc2nn(CC)c(=O)cc2C1 669805095 AZQFNHYYWFSHJR-UHFFFAOYSA-N 430.472 1.919 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 729335167 IYDYPAIKCIIBGN-RBUKOAKNSA-N 432.542 1.343 30 10 IDEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2)cc1 735116245 FBCXICSRKMHBTQ-ZZEZOPTASA-N 428.470 1.290 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 746303992 BFYJRUVWOBREKR-AMGRQBIBSA-N 448.426 1.816 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(C)cc(Br)c2)c1=O 772332632 UPPURIZGAKZYQB-UHFFFAOYSA-N 442.338 1.419 30 10 IDEE C#CCN(C(=O)NCc1ccccc1CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 774168383 WOPBKYMIRITMOZ-NRFANRHFSA-N 432.590 1.156 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 782822290 IHAUWQXSWLJHQI-UHFFFAOYSA-N 437.909 1.617 30 10 IDEE N#C[C@H]1CN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCN1C1CC1 789308509 DMIYUFCYORGVRN-NQIIRXRSSA-N 443.523 1.225 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)n1 806746487 GWEHBHSUBAIHTD-UHFFFAOYSA-N 427.436 1.989 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2cnn(C)n2)c1 807937776 MMONHVZMGCTLIK-QGZVFWFLSA-N 446.496 1.747 30 10 IDEE C[C@@H](Sc1nncn1C)C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809124542 FAGAOLJSTHHJIS-SSDOTTSWSA-N 448.299 1.574 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCC2)C1 809812983 NMCAGICMCRXQAG-HNNXBMFYSA-N 428.555 1.363 30 10 IDEE COc1ccc(-n2cnnc2SCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 916178813 PXHKVBYBTCCVKK-UHFFFAOYSA-N 443.510 1.886 30 10 IDEE CC(=O)OCC1=C[C@@H]2[C@H]3C(C)(C)[C@@]3(OC(C)=O)[C@@H](O)[C@H](C)[C@@]2(O)[C@H]2C=C(C)C(=O)[C@]2(O)C1 1073364017 VCQRVYCLJARKLE-HZSYAABASA-N 448.512 1.072 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 1117370098 XPTXFEUDRJQJKT-WUKNDPDISA-N 434.884 1.098 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCc2c(CC#N)cccc2C1 1132004512 INPUWXLORIVBKT-UHFFFAOYSA-N 446.550 1.769 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1136924883 AICHKXQATYVDCV-DAXSKMNVSA-N 431.508 1.485 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1144280522 CMTRKFLRJUOLSL-UHFFFAOYSA-N 436.537 1.864 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2CN2CCC(O)CC2)cc1 1153175005 HFQUXJRLVMYPNS-UHFFFAOYSA-N 428.514 1.432 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 1160609774 LHUJSOXJVGZLBR-IBGZPJMESA-N 447.538 1.599 30 10 IDEE C=CC(C)(C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1196580919 XNWBOXLMQDAZOZ-HNNXBMFYSA-N 429.564 1.876 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 1248581478 JMQLXEUIIVJWFC-CYBMUJFWSA-N 433.361 1.669 30 10 IDEE C=CCn1c(SCC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)nnc1-c1ccc(Cl)cc1 1275037117 JJXCHNVCEIFVJN-HZPDHXFCSA-N 447.948 1.993 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1286386521 CAOOGENIWXRSFL-SFHVURJKSA-N 434.587 1.687 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(C)(=O)=O 1286401946 TXBZDKDUVOYDEI-HNNXBMFYSA-N 431.587 1.753 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CCc2ccccc2)C1 1286407517 KWIZNJYWPOCLCA-FCHUYYIVSA-N 430.556 1.867 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1286474606 NLYWDZPXYRGKNL-UHFFFAOYSA-N 443.573 1.534 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1286581109 FYARFXFWMULDLL-HOTGVXAUSA-N 429.612 1.909 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286606470 QPHBCPVAEHIVCX-JKSUJKDBSA-N 445.524 1.906 30 10 IDEE CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1287042795 HXNZWMUJYGSNNZ-UHFFFAOYSA-N 431.566 1.286 30 10 IDEE N#CCCN(C(=O)[C@@H](CO)NC(=O)OCc1ccccc1)c1ccc2c(c1)OCCO2 1292821938 BAHYSFBZKGPIBO-GOSISDBHSA-N 425.441 1.992 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCOCC1 1300303031 GBYKFBCLUUXXJN-OAHLLOKOSA-N 435.488 1.301 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 1300441664 WBMSNUKZTYIHKO-UHFFFAOYSA-N 444.605 1.444 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC1CC1 1300458669 KKQXHFGKKJSXQY-UHFFFAOYSA-N 443.577 1.346 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1300648014 CWXLXNUIBFOHEN-LJQANCHMSA-N 447.536 1.944 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1300756474 OAYMFLNKLGSGNQ-QGZVFWFLSA-N 440.573 1.931 30 10 IDEE C=C(C)COCCn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300991902 XPUGZSXKGTYMQV-KRWDZBQOSA-N 427.571 1.064 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1301086822 ZSMHSMMHDSXMGX-HOTGVXAUSA-N 428.580 1.304 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1301313067 VTFPQCRRGRGMFB-UHFFFAOYSA-N 438.536 1.244 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301442043 PZIAZXVEGVCGCU-UWJYYQICSA-N 445.955 1.958 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1301489940 HPPXZKLUUJGDGC-OAHLLOKOSA-N 440.508 1.723 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1302100267 XVQYYZDDGVUNSZ-GUDVDZBRSA-N 436.557 1.232 30 10 IDEE COCCOCCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302211017 DUSQSPHJNCFFSD-UHFFFAOYSA-N 438.492 1.267 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)[C@H](C)C1=O 1303185808 NQCUCBHQDLBSLI-GOSISDBHSA-N 440.548 1.909 30 10 IDEE N#CC1(C[C@@H](O)CN2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCOCC1 1307667027 QJYQFFVHENFAKO-WOJBJXKFSA-N 433.574 1.915 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)CC1 1310182458 YIRHQMCSAHWYJP-UHFFFAOYSA-N 439.444 1.453 30 10 IDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccc(C#N)cc1 1311725581 BCTSWGBVMSYTJA-QGZVFWFLSA-N 427.530 1.981 30 10 IDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)s2)CC1 1312890363 MRFIXFQNYPWZSB-UHFFFAOYSA-N 425.580 1.956 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1313916188 XILFVMYFESNRHU-KNKQGSTJSA-N 432.569 1.922 30 10 IDEE C#Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1357657134 PEPYZQWMUDSKQH-UHFFFAOYSA-N 426.494 1.515 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1358939954 KZLNCZJCBYLHFO-URXFXBBRSA-N 439.560 1.901 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCNS(C)(=O)=O 1358942704 GHOZADHEURCIDM-UHFFFAOYSA-N 426.340 1.635 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCSC2)n1 1359027408 ILFUAWOHIOLTBM-NRFANRHFSA-N 432.594 1.926 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359050742 BDRVAOQCWHQJJO-UHFFFAOYSA-N 442.589 1.530 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359062802 TZDUDXLOHKUMTK-UWJYYQICSA-N 448.593 1.241 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359101874 TVJCBJUXMLNOGD-GGPKGHCWSA-N 431.562 1.868 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359126531 SCSLGFMOQMIJON-MRXNPFEDSA-N 448.549 1.532 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1359272326 PMNDGORFUKBNFW-HTAPYJJXSA-N 449.552 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359331913 KLXQREPQFPCDME-UHFFFAOYSA-N 445.611 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359334640 MUNFKTVOGVRBEC-UHFFFAOYSA-N 438.598 1.415 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@](C)(O)C(C)C)CCOC1 1360348011 QZCVCKUNKSBNPZ-WWPVKYPJSA-N 446.596 1.902 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(N(C)S(=O)(=O)CC)CC3)n[nH]2)c1C 1464996135 GPDOSXRAAMWXIK-UHFFFAOYSA-N 434.566 1.962 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 1466132649 MYAKWBBIFSFHNQ-DYESRHJHSA-N 445.516 1.736 30 10 IDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCCC1 1469872951 XYTGTVWALCYKCO-GOSISDBHSA-N 446.529 1.946 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1471810466 YTMHEJMCAOZULY-DLBZAZTESA-N 425.526 1.762 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C2)c(=O)nc1O 1478626537 NFCMFKOQNPRTKL-OAHLLOKOSA-N 445.277 1.696 30 10 IDEE CN(C)[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)CCSC1 1503389488 DQOXMUKOLQEZEE-LEWJYISDSA-N 431.610 1.968 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOC(C)(C)C)c2ccccc2c1=O 1503686601 RQDLHKYCTDLYGB-OAHLLOKOSA-N 437.504 1.736 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1505029280 KPSAZJVUPBCGMS-YVGXBJCXSA-N 429.546 1.970 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1507518764 NFMJSLRYTLDZFT-AWEZNQCLSA-N 445.593 1.777 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC[C@@H]2COCCO2)c1 1507551113 ARVVTDJWSFIVKB-LJQANCHMSA-N 427.505 1.676 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507627637 FFYUBOXTMCHKIB-OAHLLOKOSA-N 447.536 1.483 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1507684794 IRTPJESBYZXZDB-MRXNPFEDSA-N 447.561 1.846 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507842726 LAJKBRMDBCSNHW-UHFFFAOYSA-N 434.566 1.759 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507957888 XGJRLFJEGAKCNI-UHFFFAOYSA-N 442.520 1.662 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1508040280 VPXQJGIBLSRSCI-GUDVDZBRSA-N 439.626 1.939 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1Cc1ccc(C#N)o1 1509655188 DHPXKAVCVLGCOR-INIZCTEOSA-N 441.536 1.918 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1515285204 BLNRZVMCRYCBJE-UHFFFAOYSA-N 433.520 1.803 30 10 IDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1519117799 SXIAXNJBPQPEEH-UHFFFAOYSA-N 429.525 1.714 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539222178 UGMFKGKNYOFJPU-MSOLQXFVSA-N 444.561 1.306 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539224890 JSJUWXXLUVNPSM-ZCNNSNEGSA-N 443.573 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2COCCO2)CC1 1539470193 LKQRNROOVYUYLF-HXUWFJFHSA-N 439.516 1.335 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539798451 HSIIGVWXVBEWCG-SJLPKXTDSA-N 443.939 1.330 30 10 IDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539811393 ANRFEJOIFNCXJH-GFCCVEGCSA-N 431.971 1.891 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CCO1 1541073831 DKSWAUMPTNBGPF-FQEVSTJZSA-N 434.504 1.363 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1543470369 ROJNNKLIVDBOBU-LBPRGKRZSA-N 435.329 1.782 30 10 IDEE N#Cc1cccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1Br 1544469745 PKPXZLSJMFBOBN-UHFFFAOYSA-N 441.285 1.823 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)OC 1545920877 BRJGWLNBGUOMIN-INIZCTEOSA-N 440.552 1.825 30 10 IDEE CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1548336752 LQFREPQNGXIUOK-LJQANCHMSA-N 444.561 1.934 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1552395501 XHLWZIYKTASQNA-UHFFFAOYSA-N 449.537 1.075 30 10 IDEE COCCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1555476458 XFFKRUIBRLWCTQ-KNQAVFIVSA-N 432.569 1.922 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1555996324 LVDSSIDYHPXUDT-INIZCTEOSA-N 427.596 1.426 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1556544256 XSUASABCFRUXKV-LJQANCHMSA-N 448.571 1.681 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1557965744 MCKZZIDHTUWDDO-QGZVFWFLSA-N 438.550 1.841 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2Cc3ccccc3OCC2=O)c1 1558300976 SBHJAYKLRGTNOU-UHFFFAOYSA-N 426.494 1.635 30 10 IDEE C=CCCC[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OC 1558381108 GSHYNHGIBVQIEY-KRWDZBQOSA-N 433.530 1.862 30 10 IDEE N#Cc1cc2c(n(CC(=O)NCC(=O)N3CCCC3)c1=O)CCN(Cc1ccccc1)C2 1559442397 FBQUAXCMIWNRMS-UHFFFAOYSA-N 433.512 1.017 30 10 IDEE C#C[C@H](CO)NC(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 1562915090 HUIHAMMAVPKCLY-QGZVFWFLSA-N 432.521 1.734 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)c1 1565033509 WBCDJGGCTMZMSD-UHFFFAOYSA-N 446.451 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1587690825 INKAKGRWWLELHU-QFIPXVFZSA-N 429.521 1.754 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588068878 BIMYITWXXHOHGN-VDZJLULYSA-N 425.514 1.936 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCOC1 1588124863 UQXGNGBDTZMOCY-KRWDZBQOSA-N 426.546 1.738 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(Cc3ccccc3Br)CC2)CC1 1588199191 ITBSPABLABFVTE-UHFFFAOYSA-N 440.363 1.384 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn[nH]c1 1588280982 VNHXYGCFWUQRFB-UHFFFAOYSA-N 427.534 1.621 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1588310052 NHLDORXZARNWNO-LJAQVGFWSA-N 434.591 1.609 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588836623 MPEFYYICFRJSAO-OPAMFIHVSA-N 431.487 1.442 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1593689951 GMECZLUZXVMARR-UHFFFAOYSA-N 441.536 1.366 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1593799772 DJASGORVTQNIPT-UHFFFAOYSA-N 449.987 1.401 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1594455523 QYVVGFXBJYZVRA-CVEARBPZSA-N 436.586 1.924 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1594802862 JTACFOLLAFMWEB-KRWDZBQOSA-N 437.508 1.465 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1594820314 ZKSWIGKFOLHBLM-OAQYLSRUSA-N 431.562 1.872 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1595536735 GISOQMHQFBCFRK-DOTOQJQBSA-N 444.561 1.779 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)C1 1595664401 CYYVLEDBDWAIDP-RBUKOAKNSA-N 432.569 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)=O)CC1 1595773376 ZIOZICDPSPMRAN-UHFFFAOYSA-N 438.941 1.263 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595905772 RDRNIMPBLKVFSP-XHSDSOJGSA-N 430.596 1.545 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CCO1 1596632253 AAQWPWDKGROBDP-UWJYYQICSA-N 437.548 1.642 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](N4CCCC4=O)CC3)C2=O)cc1 1597352754 CGFGTACSTWFVME-IEBWSBKVSA-N 437.500 1.767 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615919040 VRXHRBPNZOAAAX-QGZVFWFLSA-N 439.520 1.827 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CCO1 1618704182 RLVBZEJDXVHMOD-GOSISDBHSA-N 440.891 1.986 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(O)c1 1620110747 AQXSWBFVKSAFMY-FCEWJHQRSA-N 429.477 1.493 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(N)=O)c2)CC1 1620356525 APIMXERFHYDRJQ-UHFFFAOYSA-N 435.532 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)=NO2)C1 1626502903 IVEZPPAHVWTYPX-UHFFFAOYSA-N 426.477 1.368 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCSC[C@H]1c1cnn(C)c1 1639585671 JJTDUBFUTULERG-KDOFPFPSSA-N 433.559 1.665 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 1640325868 DHYJAPZBRGRCQS-UHFFFAOYSA-N 426.424 1.147 30 10 IDEE CC(C)(CCN1CCOCC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1641967542 DPUOWGZDXXPBLO-GOSISDBHSA-N 427.505 1.380 30 10 IDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)C1 1644815711 RVSQYCCNEVVMHW-UXHICEINSA-N 436.556 1.599 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)c1 1645041017 WQPQCKGSZYYVLW-UHFFFAOYSA-N 442.541 1.676 30 10 IDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1649580956 KSSXSBZFAKJBIV-QZTJIDSGSA-N 427.505 1.728 30 10 IDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1650697976 AMLKPTNYHLCZPM-BBRMVZONSA-N 435.864 1.375 30 10 IDEE C#CCN1CCC(NC(=O)c2ccc(I)cc2-n2cnnn2)CC1 1652173851 ZPCCVERHLBUMGB-UHFFFAOYSA-N 436.257 1.094 30 10 IDEE CN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)Cc1cc(C#N)cs1 1655726485 IPPJNQBYWKEPKT-UHFFFAOYSA-N 448.570 1.389 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1660652606 ZMDWSDCRRUMKBG-HOCLYGCPSA-N 436.477 1.773 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1684077699 IVSMFWIKYHUGAQ-HNNXBMFYSA-N 449.581 1.209 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1689852947 NAEMDNWDCVPOEI-HZPDHXFCSA-N 439.582 1.895 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689986777 WXOKUYQPVUWMTD-CQSZACIVSA-N 430.559 1.967 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1690004953 MBBABSDSKWKBLD-UHFFFAOYSA-N 429.484 1.267 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1690046294 AIPGUFBYGFIDDY-GOSISDBHSA-N 443.548 1.897 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1690058553 ZHPMUYXDYUWCKC-UHFFFAOYSA-N 438.579 1.224 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1690108342 VIOZFTJGETYBAF-IHFIDZABSA-N 448.564 1.816 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690172812 OWZFEEIODUBWCZ-ROUUACIJSA-N 446.621 1.328 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690299434 RBSXONWFJLAQHO-PGRDOPGGSA-N 433.553 1.881 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690306075 OLPBQUZNDADNCB-INIZCTEOSA-N 434.518 1.890 30 10 IDEE CN1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)C1 1696877991 GGIDOCGAOINYOR-FQEVSTJZSA-N 429.550 1.076 30 10 IDEE COCC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1697798505 SJJPIKWLUVVSSB-HOTGVXAUSA-N 440.570 1.214 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@@H]4CCOC4)n3CCOCCCO)CC2)cc1 1698488492 PHQYRQNSGJKFHS-OAQYLSRUSA-N 440.548 1.375 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1705524942 VIVZNXRGKLPODB-QGZVFWFLSA-N 446.577 1.993 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705651538 ASZBQHHSWFGGHN-IIBYNOLFSA-N 435.594 1.947 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1705900910 UCBACKNOHOHXMR-UHFFFAOYSA-N 442.430 1.390 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705904114 GCDQGHBBDQTTHE-BEFAXECRSA-N 440.504 1.150 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705907267 GFIAADKLMOVRCZ-KRWDZBQOSA-N 444.540 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C 1705932709 IWQBXZWJOIMOBU-UHFFFAOYSA-N 429.550 1.928 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1)S(C)(=O)=O 1706081027 ATDZEHUISIMDRE-CABCVRRESA-N 444.561 1.601 30 10 IDEE CCN(C)C(=O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1709910544 PJKDXUJKFQZJHO-XHSDSOJGSA-N 447.540 1.256 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(CN3CCCC3=O)n2CCCCCO)CC1 1712882014 SCIIBTWNZGMOLI-UHFFFAOYSA-N 438.536 1.156 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1722293895 DYJFMPAUBMUPJV-WDSOQIARSA-N 447.561 1.457 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)NC)c1 1722418733 ALJFCLCAEFKKKM-UHFFFAOYSA-N 438.532 1.202 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1722430862 KIGOYMMIUYYSJH-QHCPKHFHSA-N 436.516 1.940 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2oc(CCC)nc2C)CC1 1722432747 CNCJXMMIGLLEJB-QHCPKHFHSA-N 442.564 1.983 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722527590 OOMJDCPERQKDEM-VGSWGCGISA-N 442.520 1.902 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722527644 PURAXOLICPSJNP-QGZVFWFLSA-N 439.582 1.510 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1722537436 APHQNVWFUXVYMH-JOCHJYFZSA-N 445.568 1.583 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1722538181 VALPYUKBBHCWTK-IBGZPJMESA-N 447.561 1.724 30 10 IDEE CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1728310039 YIDMOSFOIQJRKJ-YGCDDZCOSA-N 441.536 1.915 30 10 IDEE CCO[C@]1(c2nnc(N(C)C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1728756594 PWBAODZDMSOMLF-RPBSFSNWSA-N 430.509 1.445 30 10 IDEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCOCC(F)F)cn1 1729570994 PJVJRIIIRMDSCI-UHFFFAOYSA-N 444.446 1.885 30 10 IDEE CNS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1 1729747127 GERRLMCXUDXGKH-OAHLLOKOSA-N 448.459 1.886 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1(C)CN(C)C1=O 1730749611 CFJXQBFDNQQWJQ-CVDCTZTESA-N 438.532 1.785 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1730763051 ATCGDYMJRAACLC-QGZVFWFLSA-N 447.565 1.056 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1730992972 KWWWPCINEKHWSA-KRWDZBQOSA-N 434.453 1.872 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 1740558323 RYKRVLMMXWMMQE-QGZVFWFLSA-N 443.621 1.754 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1740644560 LIIWNMSULIMALL-UHFFFAOYSA-N 426.565 1.212 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1740689127 PNDVEGIKYVWKJX-HYBUGGRVSA-N 441.624 1.780 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2)CC1 1740692548 LEXBRAAOELOOLD-QHCPKHFHSA-N 425.533 1.742 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740710016 OXKGMECHQKHJAD-SFHVURJKSA-N 429.594 1.739 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740787008 WNNBOOYTCWOTPS-QGZVFWFLSA-N 430.553 1.602 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1740905810 IBMPRHXDXFBQTQ-MRXNPFEDSA-N 439.630 1.069 30 10 IDEE Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742787593 RIMLGNUNFAVRLH-DQRAZIAOSA-N 436.516 1.989 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1743361869 DYGHYEBVAKSNOL-CRAIPNDOSA-N 448.474 1.996 30 10 IDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1745674985 FOJDQUYNOMNFJW-UHFFFAOYSA-N 437.504 1.066 30 10 IDEE COC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748363173 ZTDPWWBQLRBJHH-KRWDZBQOSA-N 442.568 1.837 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1748810396 VLUNPQMKJWETIU-RTBURBONSA-N 444.557 1.686 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1748859330 SDTVGZHALFGKFQ-NMEJYPJZSA-N 449.577 1.428 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1748963061 XKFCNDWNZJQYPP-DENIHFKCSA-N 449.621 1.466 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749043560 IVDDRPCMQJSRMD-LSDHHAIUSA-N 427.596 1.025 30 10 IDEE COCC(C)(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1749264709 IAEVYROANMSVJE-KSSFIOAISA-N 430.550 1.783 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCc2ccccc21 1749489559 YJTUALDFYAADBK-NQIIRXRSSA-N 447.561 1.067 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749660457 PQWRLZGWKUKEAW-FQEVSTJZSA-N 437.548 1.666 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750630789 YQDHPGQXRWRCGC-QQMHEVNUSA-N 437.504 1.981 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750677692 JJWXXMITUPRPCX-LDSGZGKSSA-N 437.504 1.728 30 10 IDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1F 1751141278 BTSIFRCVKORXAN-BZUAXINKSA-N 449.508 1.516 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cc(C)cc(C)c2)CC1 1760252755 VJBROKNBXUJLMX-UHFFFAOYSA-N 436.560 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2nncn2C)CC1 1760267900 FJKXXJHKKGXGBB-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1760269107 YKOLOFPFSTWNFN-JZXOWHBKSA-N 428.537 1.010 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760291015 XGLMOVUDUDQSRN-PKTZIBPZSA-N 444.580 1.086 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCOC)C1 1760335718 PUWPOPCHZKZWJC-RMJJICAUSA-N 433.553 1.842 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccs2)CC1 1760522934 HESFRCHWEMTKIF-UHFFFAOYSA-N 426.550 1.365 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760547012 BLJPQDARRJTSSP-HZPDHXFCSA-N 425.555 1.119 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1761252698 YOQPEQXEUGEZEV-VZCXRCSSSA-N 437.504 1.432 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CC1 1762260875 FNBQTZVZUBRIPL-UHFFFAOYSA-N 436.582 1.904 30 10 IDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)no1 1762748238 GLHQVMOCDQQPDN-UHFFFAOYSA-N 436.476 1.893 30 10 IDEE COC1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1769023839 ARABFKZHELAXRS-AVAKVYKDSA-N 429.569 1.798 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](COC)C2)CC1=O 1771126483 FOVUUPSRLCDRFW-OALUTQOASA-N 438.532 1.784 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCOC2)c1 1771343776 KTCDOPZBSXQJLA-WBVHZDCISA-N 431.518 1.504 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@@H](C#N)C[C@H]2C[C@H]21)[C@@]12C[C@@H]3C[C@@](O)(C[C@@](O)(C3)C1)C2 1848439883 RVSHNAXUOBVWPK-HTWOUJTNSA-N 431.533 1.839 30 10 IDEE C=CCOC(=O)[C@H](NC(=O)[C@H]1CN(C)C=N1)c1ccccc1I 1852304793 WYJZVFZNKIYOQL-ZIAGYGMSSA-N 427.242 1.520 30 10 IDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC(=O)N(C2CCN(C)CC2)C1)c1ccc(F)cc1 1852433238 ZDBCMQWERAEFGL-HNNXBMFYSA-N 433.553 1.976 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2cncc(Cl)n2)C1=O 1854083065 YSGPUWPGIDWSLF-HUUCEWRRSA-N 435.912 1.135 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cc(-c3cccs3)on2)C1=O 1854218626 IOOBLELDUIXUCJ-JKSUJKDBSA-N 428.514 1.792 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1859013247 RXHYVZXJCFSMRY-UHFFFAOYSA-N 445.453 1.924 30 10 IDEE COCCc1nnc(SC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874469743 VGRKNFROJHUNSK-RCCKNPSSSA-N 435.550 1.791 30 10 IDEE CC(C)(C)OC(=O)NC(CF)(CF)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2252826890 XJKVBHCJGNXJPR-UHFFFAOYSA-N 448.301 1.400 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2255828978 HZEFZAQRVNQIKZ-UKRRQHHQSA-N 432.330 1.790 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2255875348 WQTKSGAPNGDNCQ-GJZGRUSLSA-N 431.342 1.919 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2267097895 TZEGXNWPSOCFFF-CABCVRRESA-N 448.329 1.169 30 10 IDEE Cc1cnc(C(=O)NCCOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267118249 XVEMSJJYKUIECO-UHFFFAOYSA-N 449.357 1.960 30 10 IDEE Cn1nc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267129187 YFWZVEAVVQKWLJ-HSZRJFAPSA-N 440.353 1.086 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267193296 CNOXUBPXNDXUIL-QGZVFWFLSA-N 439.369 1.708 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267198286 WABHPIUWVTUCRQ-UKRRQHHQSA-N 448.329 1.045 30 10 IDEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)o1 2267519860 JNKVCEYRXSOIJZ-UHFFFAOYSA-N 448.289 1.411 30 10 IDEE Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267536463 JLKLFBLHHXEJGV-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267556519 XAYDIDTZVDEZHS-AWEZNQCLSA-N 448.325 1.775 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2272632273 DUJIBCLRTPDGDS-FPTDNZKUSA-N 444.341 1.763 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2272637757 YSHDMJASHPKWHC-RCDICMHDSA-N 446.357 1.706 30 10 IDEE CC#CCN(CC(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300538619 HEDKZTGPPWKCNG-DLBZAZTESA-N 439.553 1.981 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2315607624 XKJHIIIGSITVPC-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(OCC)c1 2330743728 GGJRUZXNUIQTMB-UHFFFAOYSA-N 434.522 1.519 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2334263570 SKTKRHFUVIAPGM-FVQBIDKESA-N 444.341 1.904 30 10 IDEE CCN(CC)C(=O)CSc1nnc(N/N=C/c2cc(OC)c(OC)c(OC)c2)n1N 20919430 NXHCVFQQSJJONU-KEBDBYFISA-N 437.526 1.424 30 10 IDEE COc1cc([N+](=O)[O-])ccc1N/N=C1\C(=O)N(C(N)=S)N=C1c1ccc([N+](=O)[O-])cc1 59461703 VGAKIPKBNNNXJG-HKWRFOASSA-N 443.401 1.770 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@H]1c1cccnc1 72461213 VWCQCHBBDSNDJF-YJBOKZPZSA-N 444.451 1.924 30 10 IDEE N#C[C@@](N)(Cn1cnc(I)c1I)C1CC1 308789083 BRGQEWMSPXXJIY-SECBINFHSA-N 428.015 1.723 30 10 IDEE CS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 446191064 GIAJXUDIWOIZDN-UHFFFAOYSA-N 442.497 1.802 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1OC 482663964 XDADPZXSONPLKR-UHFFFAOYSA-N 442.541 1.891 30 10 IDEE Cc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)cc1S(=O)(=O)NCC#N 486437700 SWDHXCBMQUXWHY-LLVKDONJSA-N 438.307 1.840 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)C2=O)cc1 487275562 KQHITGRZKYOAFV-LEWJYISDSA-N 449.486 1.899 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 501902814 AFHWNRRTMKMQIX-LEWJYISDSA-N 431.496 1.003 30 10 IDEE C=CCOc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 504732583 IYGGASUNCUVARX-UHFFFAOYSA-N 441.509 1.793 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 515649253 XNVLNAOWSBVPSC-GOSISDBHSA-N 439.537 1.269 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(Br)ccc2OC)CC1 531771771 RGPBECKYUKIKSU-UHFFFAOYSA-N 425.327 1.587 30 10 IDEE C=CCNC(=O)c1cccc(-c2noc(-c3cnc4c(c3CC)c(=O)n(C)c(=O)n4C)n2)c1 546362329 YFOOIRBCPRXSCH-UHFFFAOYSA-N 446.467 1.827 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCO2)CC1 549501482 JDFNNWFCPLBESG-GOSISDBHSA-N 430.578 1.534 30 10 IDEE CCc1ccc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 561406968 YWNHAVWWBXIXAE-UHFFFAOYSA-N 432.571 1.805 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCCO1 603800677 XUNCRBIMQSUAAH-INIZCTEOSA-N 431.945 1.770 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCCOc3ccc(C#N)cc3)cn2)CC1 610324584 BABPDZFAEVLXNK-UHFFFAOYSA-N 444.517 1.235 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795671 RWCYLIFDVXURJT-DOTOQJQBSA-N 428.558 1.984 30 10 IDEE Cc1ccc(-n2nc(C)cc2NC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741340450 DXJSIEUFHKTJBS-QURGRASLSA-N 437.456 1.887 30 10 IDEE COC(=O)[C@@H](OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccc(C#N)cc1 741372641 IHCZRINDLTUWPL-SFHVURJKSA-N 431.445 1.395 30 10 IDEE Cc1cc(NC(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)n([C@H]2CCS(=O)(=O)C2)n1 777176663 DNYWWHQQQBHONL-KRWDZBQOSA-N 442.497 1.902 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(C(=O)OCC)cc2)c1 784198955 KSLMFTXTPJRRQX-UHFFFAOYSA-N 429.450 1.815 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)n1 788694862 ZEBJZVYWGNDODD-UHFFFAOYSA-N 430.530 1.653 30 10 IDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 792657030 BFWJGKDMTWROBJ-GOSISDBHSA-N 442.516 1.801 30 10 IDEE Cc1nn(-c2ccccn2)c(C)c1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 802722615 CUSLJWLDLTYEPB-UHFFFAOYSA-N 449.499 1.995 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cnn(C)n2)C1=O 807935396 SDUPLRYFOCEMFJ-MRXNPFEDSA-N 449.968 1.668 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 813563904 PYUGUTJWJKKANC-XHDPSFHLSA-N 441.504 1.099 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)c1 816891404 RQJXHXKCQLLKCI-UHFFFAOYSA-N 434.452 1.643 30 10 IDEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CCS(=O)(=O)C2)C1=O)NC1CC1 914551374 BMPJEZOCACBKEA-HUUCEWRRSA-N 425.507 1.613 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 914595009 QALTYPMDVQSJEK-HOTGVXAUSA-N 425.441 1.835 30 10 IDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccco3)n2)s1 1084013862 AYNKRHIJDPNMGI-UHFFFAOYSA-N 439.508 1.003 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)COc2ccccc2C#N)cc1 1128759732 AYQIJVFNKJJPCH-OAHLLOKOSA-N 425.441 1.884 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc(C#N)ccc2F)C1 1133630213 HTDFYXYGECRXNT-AWEZNQCLSA-N 425.482 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCCN(CC(N)=O)C1 1136672102 BUJWKGSSCDXSEG-PXNSSMCTSA-N 441.532 1.458 30 10 IDEE CCN(CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)S(C)(=O)=O 1141990309 XKKAQXMSQZHEQQ-NGEICVOHSA-N 442.582 1.561 30 10 IDEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1159641718 PXTOTCNIFFHYOP-KBXCAEBGSA-N 429.498 1.937 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1ccc(C#N)s1 1162248306 HJMGTKJOAJJQNK-INIZCTEOSA-N 435.527 1.478 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(C#N)s1 1162249560 RYEHYQFQUGSMJD-INIZCTEOSA-N 441.556 1.018 30 10 IDEE COc1cc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c([N+](=O)[O-])cc1OCC(F)F 1176710393 PBZUSSJHRYLOSQ-YVEFUNNKSA-N 431.417 1.617 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)C1 1179978575 MXUPJXVDQHCHDX-UHFFFAOYSA-N 427.320 1.444 30 10 IDEE COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1C 1235499008 VPXNLVIPFWQWSC-FTRWYGJKSA-N 432.502 1.076 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286340366 YXDRHYMTZMTATD-IBGZPJMESA-N 447.561 1.894 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1286376468 LKPSKFPRZKWYJI-IBGZPJMESA-N 441.557 1.420 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286558936 SASRDESPYFOOGA-UFGBVDADSA-N 430.597 1.811 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286710035 LEPCIDPTEJLSSE-QGZVFWFLSA-N 434.541 1.879 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1286778597 HOPOIQQWXQTMQV-HNNXBMFYSA-N 440.570 1.618 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](COC)C1 1286783086 GKXJTQBDQRNLFZ-MRXNPFEDSA-N 431.493 1.116 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCO[C@@H](C)C2)C1 1286808529 LVAHQFYKBIXMRR-IPMKNSEASA-N 432.569 1.511 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(C)C)C2)CCOC1 1296662043 BAZPYRYLJQYHBL-NNMXDRDESA-N 432.569 1.779 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CC2)cc1 1300126346 DORURNLCNQCVRV-JJCDCTGGSA-N 429.546 1.712 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300495498 ICEVIRRVKZSSDJ-OEMYIYORSA-N 436.578 1.698 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1300579849 XZLQAVYBQJHFKL-SFHVURJKSA-N 446.511 1.553 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCN2CCC)CC1 1300680969 ICKXWDUICPMRFQ-FQEVSTJZSA-N 427.597 1.534 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)c2ccccc2)CC1 1300682399 HESXAAVCJZKSSQ-MOPGFXCFSA-N 444.605 1.837 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300756387 KZRITSZDPIOBRR-DLBZAZTESA-N 429.550 1.006 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1301021779 IUNXCZZQGDFKCJ-RTBURBONSA-N 441.536 1.427 30 10 IDEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301260087 VXUHPIOLOZHRLI-SVMVAKDDSA-N 433.553 1.626 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301427008 YLIMJZZBCGYGQM-FQEVSTJZSA-N 438.525 1.196 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1301569163 RKHJLXDGBNGWMV-UHFFFAOYSA-N 435.554 1.011 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 1302424154 SAIJRSOQCTUDCO-GOSISDBHSA-N 439.515 1.687 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1303483446 JHARCDJEXAQSPK-QIEZACGCSA-N 444.536 1.691 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)CCOC1 1303502859 AGQCKUOWMBHJPH-SIKLNZKXSA-N 448.568 1.160 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)N(C)C 1303735571 FFNYVUROBZYHQN-BRWVUGGUSA-N 448.593 1.937 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C[C@H](C)O1 1306408293 AADAVMNBSRHTFA-YJBOKZPZSA-N 434.504 1.974 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1316264550 MMNSYNFZGIMZDT-SFHVURJKSA-N 433.534 1.493 30 10 IDEE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1324631331 HCUYXVMLVVCXES-YOEHRIQHSA-N 434.452 1.841 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1358888316 KTXSBXHVIKUHQF-CVEARBPZSA-N 427.596 1.356 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1358890145 LQIGEUJGQBCHSE-VQIMIIECSA-N 447.561 1.434 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)F)c1 1358902451 OTCKPQWTGDTMJG-MRXNPFEDSA-N 446.458 1.915 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@@H]1CC 1358927295 TWLJKCJYBPJSJN-INIZCTEOSA-N 429.550 1.366 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1358974074 QHYRESWFSIABTD-UHFFFAOYSA-N 428.496 1.815 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1358994190 HDRGPUKBQVEGCO-VQTJNVASSA-N 431.606 1.908 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1359010301 LQHSPPVGXORWQR-MRXNPFEDSA-N 430.513 1.338 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCN2CC)CC1 1359044741 NLXUDZQONLTMOD-PMACEKPBSA-N 428.581 1.622 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1Cc1ccc(C#N)o1 1360697666 CRESUTVDDSBESK-RRQGHBQHSA-N 434.522 1.549 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)NCCN3CCCCC3)C2)C1 1449536350 XBOVKSRIGAWQCJ-OTQYULQBSA-N 447.580 1.492 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@]3(F)CCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1456224506 SONRYVWOZNIYFI-FFZOFVMBSA-N 435.477 1.134 30 10 IDEE CCOC(=O)C1([C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1456545585 DHHGAVQTPFZEGC-HUUCEWRRSA-N 437.518 1.090 30 10 IDEE CC(C)(C)NC(=O)CNC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2 1459177957 AWTWKZBTEIOYOG-UHFFFAOYSA-N 435.528 1.309 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 1461385615 JHHPZPFNBSEFGC-MRXNPFEDSA-N 437.562 1.863 30 10 IDEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccsc4C#N)CC3)ccc2O1 1464068047 GNADPMMLRVRNNE-SFHVURJKSA-N 447.538 1.997 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 1468990023 HDVOLCAEYGMYMV-ROUUACIJSA-N 426.542 1.958 30 10 IDEE N#Cc1ccc2c(c1)CN(C(=O)CCNS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1469461226 MXZJOXLMQAISMO-UHFFFAOYSA-N 427.482 1.930 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 1469477995 NWNZQYNENWCNAW-AWEZNQCLSA-N 442.950 1.926 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H](CO)[C@@H]3C)nnc12 1472577530 KSIUCHMVXITQPH-LSDHHAIUSA-N 427.530 1.942 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 1473173721 PIHQUCKXAQRAJY-UHFFFAOYSA-N 428.470 1.828 30 10 IDEE CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1474937218 DEIKSONJIVMHNI-UHFFFAOYSA-N 430.255 1.990 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1Cl 1505000063 PDUIBKCUEDLLAT-HUUCEWRRSA-N 436.900 1.858 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1507522694 XPIWUZIBZYMNQJ-IAGOWNOFSA-N 431.562 1.527 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1507617575 WIGVYMCSRFMYDI-INIZCTEOSA-N 439.582 1.897 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507635243 QNMSCZMXEIEGEN-GOSISDBHSA-N 444.557 1.419 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1507680119 XUZKALGTKBDLNT-OAHLLOKOSA-N 447.565 1.490 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1507706398 LRZCFURZZPXUDK-FQEVSTJZSA-N 435.576 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 1507733844 MJPMOTSXIOAORS-YTQUADARSA-N 426.565 1.818 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1507795044 BDMUVLVOMQOQRA-NSHGMRRFSA-N 433.553 1.448 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1508071542 ADTZBDRTXARSMJ-SJLPKXTDSA-N 444.511 1.380 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C(N)=O)CC1 1508075423 WBRKNWAEWCVEPT-UHFFFAOYSA-N 436.314 1.040 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1508079400 UNQMERVLWXNSIP-ZDUSSCGKSA-N 431.294 1.739 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508089967 LETFVMVRDLEDBS-GOSISDBHSA-N 436.520 1.415 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(N(C)C)CCOCC2)n1 1511695598 FTPUVTUOAYDZNB-FQEVSTJZSA-N 430.532 1.693 30 10 IDEE CC(=O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)nn1 1526183626 HCRLLBBFCSAOAA-RELWKKBWSA-N 432.506 1.712 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C[C@H]1CS(=O)(=O)C2 1538308545 KIITVCXYDJTGKL-PZROIBLQSA-N 425.869 1.229 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1539002854 IZMZKCGFMJUKAS-HNNXBMFYSA-N 442.545 1.568 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC1(C(N)=O)CCOCC1 1539031517 KFRAYMIJAKDTGX-QGZVFWFLSA-N 441.532 1.996 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)CC=C)CC1 1539435801 BAHRWHUZGNJNRT-UHFFFAOYSA-N 429.546 1.310 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c(C)nn(C)c2C)CC1 1539481067 IALNWXFCVCJJFQ-HXUWFJFHSA-N 439.564 1.884 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539489105 GSHBHQKMALFLLU-MRXNPFEDSA-N 434.566 1.595 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539829321 WUPGMUJNTNZXIF-ROUUACIJSA-N 440.614 1.402 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1539944876 HRWIHQCEQMLALR-QGZVFWFLSA-N 426.583 1.904 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1540864433 ZXPKMIYBSRTJMT-MSOLQXFVSA-N 426.521 1.073 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540868021 PECYJPXPVSPYBD-WBVHZDCISA-N 441.536 1.992 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1540875495 NTYLXCZAHJTLOY-GOSISDBHSA-N 428.512 1.973 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1540876718 YXVGXUAGAWCTCT-HBUWYVDXSA-N 431.459 1.867 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(Cn2cccn2)CC1 1540901054 RGLCWEJXFBWLGJ-UHFFFAOYSA-N 443.577 1.998 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1541123019 JNEAFZXZKWUCPT-GPMSIDNRSA-N 447.561 1.880 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1CCOCC1 1541673856 FWDACFAVHIECLH-UHFFFAOYSA-N 438.536 1.436 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCC(=O)NC(C)C)CC2)c1C#N 1543001857 FOTHWYSSDIKRFE-UHFFFAOYSA-N 439.568 1.701 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1544975483 RZVMHVGIORTCDF-MVZUJROASA-N 439.545 1.732 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H]1C 1547643591 YOFALARYIKGRFL-IAGOWNOFSA-N 445.593 1.675 30 10 IDEE O=C(C[C@@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1)NCc1ccc(F)cc1 1557192943 WGCLTXKABZTAQV-AWZKZOKMSA-N 442.491 1.987 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1557249224 JBZYONXZLNZKSZ-CYBMUJFWSA-N 433.452 1.682 30 10 IDEE C=C[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1557621482 DYKARCZNDTYWJE-OCCSQVGLSA-N 437.381 1.512 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCc3ccc(S(=O)(=O)NC)cc3)n[nH]2)c1C 1557966170 VDQDJXQAUXYBNB-UHFFFAOYSA-N 442.545 1.957 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1558465074 WMNXHWAABSBONW-SFHVURJKSA-N 441.513 1.537 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1587705564 GGBWGNFJUFJQNA-OAHLLOKOSA-N 445.611 1.095 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1587856579 NLMJAZFDXGLXIV-IERDGZPVSA-N 432.521 1.831 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1587990178 UBQOXCFUPQSSEZ-KRWDZBQOSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1588053389 DQUMKTCVSBKSGN-MSOLQXFVSA-N 436.578 1.758 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc2n1CCCCC2 1588673719 YBAXPLBLMVFFJH-UHFFFAOYSA-N 437.552 1.592 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCCn2cc(Br)cn2)CC1 1588877012 RDCPMUFABRXIJN-UHFFFAOYSA-N 436.358 1.619 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1589069352 KDJSPXZMKIABJR-UONOGXRCSA-N 431.484 1.653 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1589559470 RTFIVAQJUBCKCN-AVRDEDQJSA-N 440.548 1.716 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C)[C@H]1C 1595577037 HAPXXBVQXVQGBC-ZIAGYGMSSA-N 434.591 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CC2)C1 1595799048 WDJSKWAVAFEITJ-OAHLLOKOSA-N 428.580 1.161 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CCO1 1596633450 LQPUMDGJTJLTRS-GOSISDBHSA-N 448.474 1.830 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1596782561 JAILZRVFFDUQKC-RKDXNWHRSA-N 429.291 1.472 30 10 IDEE CN(C)S(=O)(=O)CCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598482326 ATXLMENJESCCAX-YUMQZZPRSA-N 432.333 1.897 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1Cc2ccccc2C1 1611710503 AWBQMEWBZKTUGZ-BEFAXECRSA-N 444.561 1.422 30 10 IDEE C=CCNC(=O)c1c(CS(=O)(=O)CCCN2CCCC2)n(O)c2ccccc2[n+]1=O 1615945972 ZLSQREISJCPHAJ-UHFFFAOYSA-O 435.526 1.110 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)C(C)(C)C 1616826575 UUSBQPXMZDRGDY-UHFFFAOYSA-N 448.549 1.563 30 10 IDEE CNC(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1618816407 ICARTUSJXZUSJM-MNVSYLFESA-N 435.504 1.627 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1619913488 FIAPEMHBQNQHBP-UGKGYDQZSA-N 426.521 1.968 30 10 IDEE CSc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)ccn1 1620230991 GYWVUYDVVOPVJY-SJCJKPOMSA-N 439.542 1.495 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1 1620350446 GCSFVZUGHVFFCN-QGZVFWFLSA-N 433.559 1.353 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c(OC)c1OC 1621367256 XHYXISLWBRVZRX-UHFFFAOYSA-N 438.480 1.654 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CC3)[C@@H](CO)C3CC3)CC2)cc1 1628155329 HYGJJFLOGZHIOE-LEWJYISDSA-N 431.558 1.872 30 10 IDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1629920511 BHMFPBKWMDLYQS-OAHLLOKOSA-N 449.349 1.855 30 10 IDEE COC(=O)c1c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc2n1CCC2 1630553642 YVFOEDNJXVFVFB-UHFFFAOYSA-N 431.474 1.073 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1 1631724961 ZCHWDHKOVWIVEL-UHFFFAOYSA-N 425.551 1.496 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)s1 1633933981 KSPTUFWNCMWFSC-LQDVMPOASA-N 432.589 1.227 30 10 IDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1637621949 OOCIGWNHPDHRFW-GOSISDBHSA-N 432.429 1.569 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc1 1639338808 IPXNLQRPMXIVLY-UHFFFAOYSA-N 433.530 1.822 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CC2CCN(S(C)(=O)=O)CC2)C1=O 1639889919 IQMGTRCASFPEQA-LJQANCHMSA-N 430.571 1.750 30 10 IDEE N#CCCN1CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1642916106 SUFXFLACEIIFTD-UHFFFAOYSA-N 432.468 1.822 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1644579934 DVULMWMUWKBJNB-RDTXWAMCSA-N 430.486 1.383 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1645262998 LPXGMCWMHVXECY-MRXNPFEDSA-N 449.529 1.106 30 10 IDEE CCC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1649642450 OXFYLHNKPUEJHQ-QZTJIDSGSA-N 438.536 1.638 30 10 IDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1658649171 BFWXPKBJPAIPLW-HNNXBMFYSA-N 448.636 1.241 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC(n3nnc(C(=O)OCC)c3C(F)F)CC2)C1 1676035642 SWSXDHLAWMMNCW-AWEZNQCLSA-N 438.479 1.837 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCCCS1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1679412331 JLRBKISIQITABU-KRWDZBQOSA-N 427.567 1.998 30 10 IDEE C[C@]1(C[C@H]2CCCN2C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)NC(=O)NC1=O 1682384365 CNVOYKZMBTWPQZ-AUSIDOKSSA-N 438.532 1.685 30 10 IDEE Cn1ncc(I)c1CNC(=O)N1CCC2(CC1)CC(=O)C=CO2 1684794056 YAEGKJRJZFKTIH-UHFFFAOYSA-N 430.246 1.572 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3CCN(C4CCOCC4)CC3)C2=O)cc1 1686341415 JLIRHRYUXHKICR-JOCHJYFZSA-N 439.560 1.849 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689982916 XCHHINBCFQBHSC-OAQYLSRUSA-N 443.573 1.094 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689990706 QXJAFMFHNVDXQU-IAGOWNOFSA-N 449.577 1.192 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1690000348 ZIUOGJLRBJBMSE-CQSZACIVSA-N 435.550 1.870 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690246172 RVGSSZJMUKNGNF-FJIDUMEYSA-N 439.582 1.233 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690248303 MLNIVXKKKIYTEU-VRVBVOGLSA-N 441.532 1.605 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1 1690682166 GSCKAMVINVTKNK-WBVHZDCISA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690718877 BGUQYMNWOBCEIL-KRWDZBQOSA-N 435.550 1.800 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(C)(=O)=O)CCOC1 1692579028 FUENKUJHOZMKFF-MOPGFXCFSA-N 425.555 1.493 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)CCCO2 1692766377 UKQINZKOCGRWIP-CABCVRRESA-N 432.550 2.000 30 10 IDEE Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693473695 FBMBHYLCKYNQTO-FMQUCBEESA-N 449.515 1.136 30 10 IDEE CN(C)C(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1696585784 DMFGBEGRIGCUCL-UHFFFAOYSA-N 445.531 1.335 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1698085038 DSXFEIYHQZZBJJ-UHFFFAOYSA-N 435.536 1.346 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1 1698311803 JKPLOCASAIMTSJ-UHFFFAOYSA-N 440.476 1.528 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCOCC1 1705546224 FMDKRKBTRBDBBK-UHFFFAOYSA-N 445.593 1.338 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705566662 PIEGRGSSQCFKIQ-INIZCTEOSA-N 434.591 1.965 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)CC1 1705638458 LKPSMAMDYUDGDF-GOSISDBHSA-N 437.504 1.211 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2Br)CC1 1705638741 VTOHDDPRQTUKAF-KRWDZBQOSA-N 443.349 1.795 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCS(=O)(=O)CC)CC1 1705641914 YVUUWLDSICDWGC-UHFFFAOYSA-N 429.590 1.643 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1705904538 RGLBBKWRZUOVCI-HOTGVXAUSA-N 447.540 1.627 30 10 IDEE CC[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708846235 XMMYPNWBILHJRP-SBRPPBIPSA-N 427.509 1.382 30 10 IDEE Cn1cnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(CCC#N)CC2CC2)n1 1711267959 FAZHJJMOYQHWIQ-UHFFFAOYSA-N 440.533 1.655 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@@H]1COCCO1 1712453551 RVZCJROERVNOCH-GOSISDBHSA-N 443.504 1.888 30 10 IDEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712885351 IRJWXHDMRGSHCW-DQRAZIAOSA-N 446.515 1.920 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1722336998 SXGXIVMQNDNPNP-QGZVFWFLSA-N 436.516 1.940 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722349391 LQLBMOOLCFBBSE-OAHLLOKOSA-N 431.518 1.067 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722370512 NZPSWXQCFPLPEU-RTBURBONSA-N 437.610 1.563 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722371188 URDBYQMBVNGHMJ-FUMNGEBKSA-N 449.621 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CC1 1722398963 LSDJGBYFGAQFGM-UHFFFAOYSA-N 426.542 1.940 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1722420580 HWADATFJVFNNMU-HZPDHXFCSA-N 433.534 1.151 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC(F)(F)F)CC1 1722446769 AZCYXMCIEPUUAN-OAHLLOKOSA-N 429.443 1.674 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](COC)C1 1722727531 JDKWSCPAVKNLGX-VQIMIIECSA-N 448.545 1.864 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723583114 HKRDQSDIUMVPBH-QFPXGYFVSA-N 429.525 1.425 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)n2)CCOC1 1723678100 STTSKPNHZIZVIN-WOJBJXKFSA-N 432.504 1.522 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccco2)CC1 1729313692 BRGKHQVDPLDPML-UHFFFAOYSA-N 449.515 1.580 30 10 IDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)C1CC1 1729319079 CDDHDBNSFXQCND-IBGZPJMESA-N 428.562 1.638 30 10 IDEE COCCn1cc(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cn1 1730773581 YANYGYJIIGCAHW-UHFFFAOYSA-N 436.520 1.903 30 10 IDEE C=CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1740881738 PHTALGIFWQSIKX-NRFANRHFSA-N 429.525 1.483 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1)C1CC1 1740909823 AQRQUWWDOXHHBV-ZOBUZTSGSA-N 427.546 1.904 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1740950816 IMVBTHMOTWLQCB-KRWDZBQOSA-N 426.496 1.949 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740951383 XGNGSIXDFKXHDB-AOMKIAJQSA-N 448.568 1.273 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CCO1 1741104670 NECVQIHEQATRIY-KRWDZBQOSA-N 434.447 1.787 30 10 IDEE CCCCOCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745542389 KXAXXOGFQHAMGZ-UHFFFAOYSA-N 427.509 1.768 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1748868503 XYAPJSSLJJLHEQ-MRXNPFEDSA-N 433.509 1.569 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1748923021 QQFATAKGJMDEKA-MWTRTKDXSA-N 436.516 1.674 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748935375 QTXAZLQKZZKBHD-IBGZPJMESA-N 440.548 1.835 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)CC1 1748989319 KWUCOAIULSOPLT-PMACEKPBSA-N 448.637 1.056 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749126522 DETKZTUPWBAFHS-YJBOKZPZSA-N 449.581 1.178 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1749684242 UIQRBVJBZMZSRX-GOSISDBHSA-N 442.545 1.915 30 10 IDEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1749705614 AASPUWWFABKPHW-QFBILLFUSA-N 447.561 1.882 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1749740299 UDEVMQULMTUXPE-CALCHBBNSA-N 445.545 1.943 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCN2CCSCC2)cc1 1750382431 FVAYRNUCQGIAMQ-SFHVURJKSA-N 439.589 1.957 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760187448 JTHDISDUFCBARZ-IAFLDTSXSA-N 436.578 1.614 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCS(C)(=O)=O 1760245461 FEWNNBKSKXQYIZ-UHFFFAOYSA-N 434.518 1.237 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2snnc2C)CC1 1760264562 SRRZGCHVKKNCLB-UHFFFAOYSA-N 439.545 1.829 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COCC)C1 1760316015 LFGNNWLQTGMMMX-FJIDUMEYSA-N 441.598 1.732 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC(C)C)CC1 1760389286 HNZXBJZYAHXFGB-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2nccs2)C1 1760552241 HOZDIMCVKUBRRZ-MRXNPFEDSA-N 446.558 1.975 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760566448 UKERPTOOVLBWGX-INIZCTEOSA-N 443.639 1.952 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)C1 1760793832 PSBSDVMXHHZSJK-QEEYODRMSA-N 445.503 1.782 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762848119 DINBAGKNAAHLKX-DXQAYGFFSA-N 429.525 1.569 30 10 IDEE C[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1762890464 SXBGHWISYFOUGU-MXLIYFDZSA-N 441.536 1.667 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1764552918 BDODGXHOQKYOEI-AEFFLSMTSA-N 445.545 1.583 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1770050188 IRLVLMINERUAIH-OWCLPIDISA-N 438.529 1.644 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770133414 ZDKUYUSAGOXMTK-VRTBNJGNSA-N 446.552 1.591 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1770142497 AHCUNDPGMWFTGQ-SFHVURJKSA-N 433.534 1.493 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1770640781 BESGDCARVCHQQB-DJTLHNKGSA-N 444.536 1.907 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1770675146 HBGQDRDHCYTNJD-UHFFFAOYSA-N 434.447 1.741 30 10 IDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2)NC1=O 1851239034 KXEXSEKMEYGQKQ-GFCCVEGCSA-N 436.390 1.375 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1854590858 QVSSMKGHQCGOMJ-SJORKVTESA-N 437.587 1.950 30 10 IDEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870349182 DHRVNCKDFOGARY-UHFFFAOYSA-N 442.560 1.427 30 10 IDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870567810 KMOVSWMQFSUCIS-UHFFFAOYSA-N 426.517 1.490 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3csc(-c4cnccn4)n3)CC2)CC1 1889472768 VBEZNVHYZXLZRL-UHFFFAOYSA-N 440.573 1.472 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1914904064 VTQWFPSKNXBNJC-SFHVURJKSA-N 438.509 1.322 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)OC(C)(C)C)C1 2006512761 REZPOECOXRKRCM-SWLSCSKDSA-N 425.345 1.840 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247782735 XRKYLQSQZLJYPY-MRXNPFEDSA-N 433.261 1.725 30 10 IDEE Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255678743 QORPRMURKREZRS-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255811996 LNHCKLNFSDKWAS-HOTGVXAUSA-N 433.314 1.403 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)co2)OC1(C)C 2255813390 OTLHAZDFZYBSFM-STQMWFEESA-N 428.216 1.957 30 10 IDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)CN(C)C(=O)OC(C)(C)C 2255818392 KQUKUPCZOLITPF-CQSZACIVSA-N 436.362 1.952 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CO)C1 2256040163 UZBWWVCYTSEYSH-INIZCTEOSA-N 433.358 1.986 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256065640 ZCNDVIGYJODLPP-CQSZACIVSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267267009 UFNBCLYGZLAEPS-FPTDNZKUSA-N 444.341 1.905 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 2267270790 NPQCPCSAVHPKDV-INIZCTEOSA-N 449.357 1.378 30 10 IDEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)o1 2267486470 KZYHKANTVCOQJV-UHFFFAOYSA-N 445.285 1.463 30 10 IDEE C=CCO[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270539596 SLYRCFHNSWVVLT-IRXDYDNUSA-N 426.491 1.363 30 10 IDEE CC(=O)N(C)c1ccc(NN=C2C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)cc1 254567910 VERJMCPVMCGAIU-UHFFFAOYSA-N 439.457 1.836 30 10 IDEE COc1cc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc(OC)c1 254840770 HQLPJHUZNFIAEM-UHFFFAOYSA-N 429.481 1.008 30 10 IDEE CCC[C@H]1O[C@@H]2C[C@@H]3[C@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 256435763 JBVVDXJXIDYDMF-BRIJCPDNSA-N 446.540 1.688 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CCC(=O)Nc1sc2c(c1C#N)CCC2 441190906 CQDRGXHGEQXLIN-DTDBQYNISA-N 431.514 1.862 30 10 IDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)C1 481066703 CWRKMVJZZOXZDI-QFBILLFUSA-N 436.553 1.840 30 10 IDEE COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 482808662 DCQAYJCXOCGPSD-NVXWUHKLSA-N 428.514 1.629 30 10 IDEE CS[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1N1CCCC1 484622875 CSRFUZMVQIHRNP-CMKODMSKSA-N 433.647 1.969 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)cc1 488383754 XRTTZYCWJWRUQN-ZIAGYGMSSA-N 440.522 1.071 30 10 IDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)C1 501546793 AGPYIAIDEOQROO-LJQANCHMSA-N 438.576 1.572 30 10 IDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 509073247 ZUGFIXMIIDYJQF-FQEVSTJZSA-N 449.511 1.924 30 10 IDEE COc1cc(OC)cc(C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 513785355 KXQNNSJCJAYRPK-UHFFFAOYSA-N 443.525 1.807 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)cc1 527520122 VGUSBWNHRHJVCG-UWJYYQICSA-N 433.530 1.847 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)o1 532108913 UGXFDFDFNUURQI-UHFFFAOYSA-N 443.569 1.516 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 533277314 FGXQJXXHCRFYFG-INIZCTEOSA-N 427.530 1.616 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598172 BEOBYLPTUVVOLG-UHFFFAOYSA-N 429.542 1.777 30 10 IDEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 540454930 PBZKPXGVWPQWRE-GOSISDBHSA-N 429.500 1.918 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 543974795 AIZUAUVSFYTBDA-PMACEKPBSA-N 435.532 1.331 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCO1 549472161 HRVYQFNHSPNFMU-NVXWUHKLSA-N 432.550 1.970 30 10 IDEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@@H]1C(=O)NCCn1cnc(C#N)n1 553165989 ICFHKFQHUKLSEA-OAHLLOKOSA-N 448.936 1.678 30 10 IDEE CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O 589158047 SXHMYCNXRZWGNT-UHFFFAOYSA-N 435.505 1.576 30 10 IDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 603797795 GVMYOLZKULGCDJ-SFHVURJKSA-N 425.554 1.733 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCCO1 603798165 JHMGGPYXYYTJCP-KRWDZBQOSA-N 443.956 1.868 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C 603798704 FCXRINNIYGYYBH-UHFFFAOYSA-N 446.488 1.921 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCN1CCOCC1 614909421 LUEBLGUXVFRSLY-UHFFFAOYSA-N 447.507 1.248 30 10 IDEE N#Cc1cnn(CCOC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1N 729808697 LVQOAAQGWUZDFY-UHFFFAOYSA-N 437.909 1.634 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 734271131 DNAIMFPMURTKNV-QZTJIDSGSA-N 437.585 1.651 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3c(C(=O)OCC)cnn3C)cc2C1=O 741825502 IYSWRUHNIZDNOX-UHFFFAOYSA-N 440.412 1.174 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCN(c3ccccc3C#N)CC2)C(=O)C1 749533260 KXEWOBXNTCISPH-UHFFFAOYSA-N 441.532 1.723 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1ccc(C)c(C)c1 749561848 QLACCOFAIPICLN-QCFAMHMHSA-N 427.501 1.975 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 772481435 KEBKBEFWDOLTIE-VLUKHXRESA-N 439.394 1.790 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780864238 YQKAPDSNSAXIMJ-HSZRJFAPSA-N 435.484 1.687 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2 782966605 OVVKWQLJDBTCRD-NHYXNVPJSA-N 433.509 1.696 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2ncccc2S(C)(=O)=O)C1=O 783057991 XKCPYWALTYRVFT-CYBMUJFWSA-N 438.556 1.814 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 784125295 IQSNTLKQQKBQKO-IBGZPJMESA-N 430.574 1.953 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)n1 788859657 PIAJHKNOTIXHTF-UHFFFAOYSA-N 444.536 1.319 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n1 790105791 ZKJVBKLWTNSTBU-SBUREZEXSA-N 443.548 1.628 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1 791702129 KQNLREJSDDMZOE-UHFFFAOYSA-N 440.481 1.980 30 10 IDEE CC(C)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CCS(=O)(=O)C1 796493870 YSYKYCMOWPZCCJ-IAGOWNOFSA-N 442.582 1.103 30 10 IDEE C#CCCCCn1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803193037 YWUXEKOTUSOSOV-UHFFFAOYSA-N 430.559 1.897 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC([C@H](O)c2ccccc2C)CC1)c1cc[nH]n1 804508255 UOYHPXHYXDASIQ-NRFANRHFSA-N 428.489 1.974 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1 807934412 KEBHWNCJKHWQFQ-QGZVFWFLSA-N 429.550 1.323 30 10 IDEE C[C@H](/N=C1\S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1)c1cccs1 807940131 DNMKBKPOKXUMPT-NTGQDFKTSA-N 449.606 1.506 30 10 IDEE COC[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCN(C(=O)OC(C)(C)C)C1 809986930 PAEUMMRVBFTNPB-JOCHJYFZSA-N 429.521 1.875 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)cc1C#N 813703571 ZIVOAJKUJOCMPX-KRWDZBQOSA-N 446.533 1.978 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)ON=C(N)c1ccc(F)cc1 852297186 FMSBBYFHDRBVRJ-GFCCVEGCSA-N 438.481 1.749 30 10 IDEE CN(C)CCOc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 917344022 DVRUTWOVPUHIJC-UHFFFAOYSA-N 430.530 1.372 30 10 IDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@@H](C#N)CCc2ccccc2)C1=O 1137058698 WZXHNABIQACGPC-QGZVFWFLSA-N 433.468 1.891 30 10 IDEE CN1CCN(C)CC(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 1144758353 DBBCXFIWMDZSFC-IBGZPJMESA-N 434.382 1.651 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 1157347609 VDXDUNOPXQLHAS-FUHWJXTLSA-N 426.560 1.321 30 10 IDEE COCCOc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nn1 1160153253 YRGLHZBAIWDJER-AWEZNQCLSA-N 429.864 1.696 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O 1189861850 PVVCTNIUWPDOKJ-GOSISDBHSA-N 438.484 1.417 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1286383584 YDGWZQBMKSIHOW-KRWDZBQOSA-N 442.545 1.908 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286395280 ZIRJVNHNZSNJQK-RHSMWYFYSA-N 437.591 1.543 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286395307 ZNTGFJRTPHEUTI-HXUWFJFHSA-N 433.622 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C)CC1 1286488395 NDRXEZLKYCRSRW-JPYJTQIMSA-N 446.596 1.235 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1286629773 NPGWLFTWTORTQR-ZACQAIPSSA-N 444.001 1.480 30 10 IDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286707224 CFTLUWOCSPALCS-INIZCTEOSA-N 440.508 1.971 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCCC2)C1 1286816264 DRSCQNXFBHAQJI-OAHLLOKOSA-N 445.611 1.260 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286820701 PLPKQUVRGABBJW-IRXDYDNUSA-N 439.582 1.125 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1286966571 ATFRESMMXBCGAD-BZUAXINKSA-N 447.540 1.461 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)COCCO1 1287472322 YBVKBLWJUVQAIT-JOCHJYFZSA-N 425.537 1.875 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1300273313 PXVPWWPRVZLEIQ-LSDHHAIUSA-N 429.550 1.705 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@H]1OC 1300650537 UAWHEINXOAQPBS-DLBZAZTESA-N 428.493 1.063 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCSC2(C)C)CC1 1300710838 NGLQQGIZDXKQDC-KRWDZBQOSA-N 446.621 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1301595806 BAEWWOXKCXNPFA-XLIONFOSSA-N 441.598 1.061 30 10 IDEE N#C[C@@]12CN(C(=O)Cc3csc(NC(=O)c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1304001366 CTVRZKIQUBHWND-LIRRHRJNSA-N 430.511 1.335 30 10 IDEE Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1304002212 NNSFHGBYGAFJPU-UGSOOPFHSA-N 449.330 1.954 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 1304263112 MVRNHWDUMPUHSD-INIZCTEOSA-N 435.546 1.975 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CC1 1309870583 UMJXIXYYNQYRMK-UHFFFAOYSA-N 431.312 1.592 30 10 IDEE Cc1nn(-c2ccccc2)cc1CCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1312823551 MALGNVBXJVAVHU-GHTZIAJQSA-N 427.530 1.693 30 10 IDEE COC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1315801569 AGWFKTWGPKDUKW-IAGOWNOFSA-N 428.541 1.515 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2COCCO2)CCO1 1316535001 ASPRBTMGVOQSBO-CVEARBPZSA-N 434.294 1.852 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1358927907 NDLXTIRJNUKSFO-CQSZACIVSA-N 428.522 1.349 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1358963304 GCEDTUPRZZHELD-ROUUACIJSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1358963729 MZEGYQIHLPDFEA-ZWKOTPCHSA-N 432.550 1.073 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359033463 COLUAMRAYZNLGJ-KRWDZBQOSA-N 441.923 1.342 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOC(C)C)CC1 1359046246 KAICUUZMUJIQIL-UHFFFAOYSA-N 449.559 1.907 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359141450 HLNHVOSVHMWQJL-QWHCGFSZSA-N 426.930 1.936 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359188182 IFILGJOFKSYITC-SFHVURJKSA-N 444.580 1.655 30 10 IDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359191580 FTHSBTPSZWGJLC-UHFFFAOYSA-N 432.569 1.688 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCN1CCOCC1 1359296248 CBYSCBMHOGOANO-UHFFFAOYSA-N 435.532 1.564 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1359297935 HHCMUKLNCLVLQI-DLBZAZTESA-N 442.568 1.502 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1360265684 UUBDCFVTZQQNDW-UHFFFAOYSA-N 446.519 1.243 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1360596092 OTUVIHJFFJKDCM-PXNSSMCTSA-N 438.546 1.954 30 10 IDEE Cn1cc(CNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(-c2ccc(C#N)cc2)n1 1447592648 IHIALLRZHVXYIZ-HSZRJFAPSA-N 428.452 1.943 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ncc(CC(=O)OCC)s2)s1 1451606963 NMSYRQMIDKDJGD-UHFFFAOYSA-N 429.545 1.956 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 1463660190 TXQZEANHARVVTA-GOSISDBHSA-N 447.333 1.607 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C1CCOCC1 1464122964 KPRJXNDEHOLPPM-HXUWFJFHSA-N 440.587 1.958 30 10 IDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1473836512 BHWHPLPMKDYGKU-HNNXBMFYSA-N 438.511 1.928 30 10 IDEE CN(CCc1ccccn1)C(=O)CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1477763308 CFCHQSJHPBDRQZ-UHFFFAOYSA-N 434.544 1.918 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1479621146 RXONBERKMAALHA-UHFFFAOYSA-N 439.557 1.966 30 10 IDEE CNC(=O)CCn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@]1(OC(C)C)CCOC1 1503819705 NDJMJUCDVHIMHG-QFIPXVFZSA-N 426.521 1.963 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1505135594 WNFKTYNVCSZTQE-UHFFFAOYSA-N 442.501 1.429 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1507532108 GCTBHJURWGGZHR-AWEZNQCLSA-N 440.529 1.877 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1507633339 RTSWATJXSNKACJ-HOTGVXAUSA-N 433.559 1.274 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1507669161 IJYYBSADESUUGO-IBGZPJMESA-N 441.557 1.875 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)COC3)CC1 1507718076 AROUKNGILRVQIR-GOSISDBHSA-N 425.533 1.836 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)CC1 1507722672 DQYCVDNZODKFHG-UHFFFAOYSA-N 435.532 1.808 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C2CCCCC2)CC1 1507727883 UZKRMCLOJASDET-UHFFFAOYSA-N 427.597 1.420 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507791614 OCTWLCIQEHIQED-QYWGDWMGSA-N 432.525 1.428 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507796808 JYGDLCVLOLIMTA-QUCCMNQESA-N 446.596 1.631 30 10 IDEE C=CCCOCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507966874 YOWFVWIFXGEYAE-VXKWHMMOSA-N 433.553 1.770 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1508007132 SMFIVCYZSJLCOL-OAHLLOKOSA-N 438.579 1.375 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC(N)=O)CC1 1508080291 NFHVBVAKARYGPD-UHFFFAOYSA-N 448.531 1.525 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1508089153 DRPYJAMEKYYFSB-HZPDHXFCSA-N 439.582 1.266 30 10 IDEE CC(C)NC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1509776861 KYCIIWVERLDYIA-OAHLLOKOSA-N 432.550 1.660 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1513766377 BDARCRANSSMDDY-HNNXBMFYSA-N 448.531 1.836 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1517218297 LTVOFGRQULHCBP-GOSISDBHSA-N 432.550 1.761 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1518636830 DINBEBPNHPTTDK-RTWAWAEBSA-N 438.532 1.927 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)noc2C)CC1 1518641531 BUDIIMWFXSVEHH-UHFFFAOYSA-N 435.488 1.765 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccn(CC(F)(F)F)n2)c1 1518827613 UMUBPBQXSQKNAL-UHFFFAOYSA-N 434.418 1.861 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)C2)nc1 1527485045 NPSXNWOAACKRBV-HOCLYGCPSA-N 432.527 1.534 30 10 IDEE C=CCn1cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nn1 1530270698 BZOVDWLBIDRYGP-UHFFFAOYSA-N 435.506 1.064 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1539202793 LJLUIELAEGIWBJ-AEFFLSMTSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1539220943 XHPPQEFJUQYSSR-IBGZPJMESA-N 442.589 1.901 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1539422995 OMGBZIHTQLRHPZ-KRWDZBQOSA-N 444.540 1.728 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1539614502 ADEQHOYYRSRIMN-HZMVEIRTSA-N 427.571 1.485 30 10 IDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1540006613 VAAJOWKRUQYALA-JKSUJKDBSA-N 434.541 1.864 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1540071753 HPOZMLLRIVPWAL-IBGZPJMESA-N 443.573 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540900298 QOBDLXMVGWMZOR-HXUWFJFHSA-N 445.589 1.847 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1541283642 GLGFLSIKMGCULH-OALUTQOASA-N 435.532 1.836 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCOC2)C1 1541990940 QJJFOTFYSORRKO-XMSQKQJNSA-N 430.553 1.974 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)Cc2ccc(OC)c(O)c2)c1 1545529241 HKFFNHJHJIXDJR-KRWDZBQOSA-N 431.510 1.779 30 10 IDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1546851008 AVULLYFOWFSQFW-FCHUYYIVSA-N 426.521 1.982 30 10 IDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1555528881 ICBVEMCCNMTLGT-HDICACEKSA-N 428.537 1.921 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 1564300347 HPICCAVRCHEVCQ-QGZVFWFLSA-N 430.505 1.766 30 10 IDEE C=CCOC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)C(=O)OC 1568154564 LSBGYNKQILPHCI-QZTJIDSGSA-N 431.489 1.823 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1587783102 KLVHGJDGNCUBAH-IBGZPJMESA-N 447.609 1.709 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)N1CCOCC1 1588073936 GGZFJSIZUHGFSO-GOSISDBHSA-N 440.573 1.624 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588280837 SAYPGNAOSAAKBD-INIZCTEOSA-N 447.561 1.703 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@H](C)C2)CC1 1588806565 VKIYGUGBFHWFPI-PMACEKPBSA-N 427.597 1.497 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1594824566 LJGBRDDLZOVGQA-UHFFFAOYSA-N 439.568 1.793 30 10 IDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1C(=O)NCc1ccc(Cl)cc1 1595602455 KRPMVSILYBGJBN-UHFFFAOYSA-N 428.884 1.641 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1595785334 XGIHWGGZECMFKA-SFHVURJKSA-N 443.533 1.043 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOCC3(CC3)C2)nnc1[C@@]1(OCC)CCOC1 1595831324 PDKNQQYRYPZVTM-HXUWFJFHSA-N 440.566 1.148 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1618895397 NTQSNPYJFNLNBI-SFHVURJKSA-N 426.477 1.511 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C1 1620053419 LPTKQXUANJMABM-WIYYLYMNSA-N 440.548 1.779 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 1623724099 GDAIKHWIBCZTPD-ZWKOTPCHSA-N 441.594 1.861 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)cc1 1623891231 NKDYRDFCYOUGBS-ROUUACIJSA-N 426.477 1.655 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCCN(CC(F)(F)F)C3)C2=O)cc1 1625587448 OHYYWEVHEQVXPO-GOEBONIOSA-N 437.422 1.906 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 1627745206 CLACILCFIMXLFU-QXMHVHEDSA-N 427.526 1.991 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc4ncc(Br)cn4n3)C2=O)cc1 1634588193 HGAJQERFPBSQCU-OAHLLOKOSA-N 439.273 1.894 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1638122020 CRFPRUFLEHASLC-UHFFFAOYSA-N 426.498 1.662 30 10 IDEE C=CCn1c(SCC(=O)NC[C@H](O)CS(C)(=O)=O)nnc1-c1ccc(Cl)cc1 1639792838 CHYPWRPDMHMIPV-AWEZNQCLSA-N 444.966 1.398 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1639973715 JGVAIIZBBZWLLJ-OAHLLOKOSA-N 432.889 1.541 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1641596506 OSSLCLFUYNBCSR-INIZCTEOSA-N 428.555 1.600 30 10 IDEE C#CCOCCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1642785806 VFOZZUQELLXTBD-ZWKOTPCHSA-N 434.537 1.421 30 10 IDEE COC(=O)CCN(CC#N)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1644204884 HGHIARFFUOYLDD-LBPRGKRZSA-N 430.914 1.306 30 10 IDEE COCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1646031821 IFUCNYYCPGZJTL-UHFFFAOYSA-N 430.530 1.145 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1646255794 RBXUOJHVQHOYNK-OAQYLSRUSA-N 439.497 1.562 30 10 IDEE Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155854 PJTWPSPLXAMADM-HRAATJIYSA-N 428.466 1.990 30 10 IDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1652328735 NVUAZFDOSKIIGC-KRWDZBQOSA-N 429.502 1.852 30 10 IDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccc(Cl)cc3)c2)C1 1653281317 HPFXRHBZEVTYHP-UHFFFAOYSA-N 434.901 1.647 30 10 IDEE N#Cc1cnn2c(O)cc(CN[C@@H](CO)c3ccccc3I)nc12 1656439314 CFXFPDSUAWSBGI-AWEZNQCLSA-N 435.225 1.734 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CC1 1658788245 OKAWKIFVTKIVLM-KRWDZBQOSA-N 430.615 1.791 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1 1665255601 UAEHSMFCUGXLIX-IBGZPJMESA-N 427.549 1.579 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)CC1 1671159125 NERIZVCVVGJRGH-UHFFFAOYSA-N 439.603 1.649 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 1681851749 KJONSGWUMSPZHE-JTQLQIEISA-N 425.458 1.018 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1687206045 KQHPXJXGEBLGKZ-CQSZACIVSA-N 433.452 1.760 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1689996330 HLTRJULUWPQDSC-KRWDZBQOSA-N 447.586 1.331 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1690041617 AXJWUABETVDLIA-UHFFFAOYSA-N 434.525 1.693 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1690076847 CBDHMCCYKZFKBU-IBGZPJMESA-N 431.562 1.703 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1690077929 ZWWIQZMGPWIPGU-NRFANRHFSA-N 427.578 1.780 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2C[C@H]2C)CC1 1690115143 UKDOFBYGNCLNDI-MJGOQNOKSA-N 442.589 1.607 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690246675 WBXAGZFZXQWDCO-SCTDSRPQSA-N 444.580 1.905 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1690670073 YEKBIJHPQGNAIL-QAPCUYQASA-N 426.521 1.695 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690674296 WCEMISPPGPRTHF-AEFFLSMTSA-N 439.520 1.059 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690731530 KTYWAUBAIMWZTO-QKLQHJQFSA-N 440.566 1.505 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCC1 1698165030 MMFSDGDBUIXWSJ-KRWDZBQOSA-N 441.536 1.510 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705568549 PRLSVVKKFMLACI-GOSISDBHSA-N 437.610 1.706 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705570002 JHGBJPLFECBYNN-HNNXBMFYSA-N 435.516 1.597 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CC 1705576819 QRZRTTITSONBRN-NRFANRHFSA-N 429.546 1.429 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C#N)o1 1705580348 ITWMSDBQPVDLHN-UHFFFAOYSA-N 433.497 1.824 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705612594 KHPXYAUQQDZISQ-OKZBNKHCSA-N 437.610 1.528 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1705613366 ZHLCVYBMVIDRLR-FQEVSTJZSA-N 438.557 1.933 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC)C1CC1 1705850271 NJXPYLGSTLSWRC-UHFFFAOYSA-N 439.563 1.053 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OCC)cc1 1705894345 VWBOHYONCOHBQJ-UHFFFAOYSA-N 426.521 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(CC(=O)NC)CC1 1705933156 WINWNPIEQPHATR-UHFFFAOYSA-N 431.562 1.898 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCn1cc(CO)nn1 1707909684 CPUNJRHPXPINOA-UHFFFAOYSA-N 425.472 1.098 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1712510122 BZHYKNMTXCVFMJ-VQIMIIECSA-N 447.561 1.945 30 10 IDEE COCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1712614694 STZJTZIPVZUOFQ-UXHICEINSA-N 438.532 1.921 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722418893 HAKPSNHWHFQUHU-UHFFFAOYSA-N 448.531 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)C(C)C)CC1 1722436519 AOHVKVGZUNDHBQ-NFBKMPQASA-N 425.533 1.953 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1722447339 KJMGIPVSLJAERS-INIZCTEOSA-N 437.504 1.259 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1722452463 GWOCALRJBDXMJB-KRWDZBQOSA-N 442.593 1.678 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N1CCOCC1 1722509795 YKFDKYPLLWCVLN-APWZRJJASA-N 427.509 1.011 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1722538416 XTACSTSSVIAJCN-GOSISDBHSA-N 426.583 1.762 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1722603667 LAKXHXRDYYKHQR-CVEARBPZSA-N 429.612 1.909 30 10 IDEE C=CCCOCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1722628099 VYCWYQZQKPEYEW-UHFFFAOYSA-N 432.569 1.439 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OCC)CC1 1722694974 NWEWISMFVMRGQQ-UHFFFAOYSA-N 428.493 1.534 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC2CC2)CC1 1722706051 MASDSIJUCYTHBQ-UHFFFAOYSA-N 428.512 1.830 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C 1723819879 SKBSVLGNKPZIKB-HRAATJIYSA-N 428.562 1.782 30 10 IDEE C[C@@H]1C[C@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1726468541 CFKZQRSRKRLFHF-YKTARERQSA-N 425.530 1.827 30 10 IDEE C[C@@H]1CCCC[C@@H]1OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1726531173 GCPVMRFBVYWGND-BDXSIMOUSA-N 437.566 1.504 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1ccc(C#N)o1 1727221320 KDGSQJIHJUKCMT-AWEZNQCLSA-N 427.509 1.766 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCN(C(C)=O)CC1 1740558460 SVHKDOAJDPDCCG-IBGZPJMESA-N 433.560 1.903 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1740771513 ITLIBCKKWVSSKA-UHFFFAOYSA-N 439.611 1.460 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1740913423 CODFZRMOEQYTGU-SFHVURJKSA-N 426.521 1.955 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1741171998 ZTMQUEGUWPBZIX-PMACEKPBSA-N 429.613 1.989 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCOCC1 1748242498 CSZOORFAZBQXOH-QGZVFWFLSA-N 425.537 1.500 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1748697281 FAOTUDNSBVKWJR-MRXNPFEDSA-N 430.534 1.742 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1748751652 JNJWAUWAHBCYPV-ROUUACIJSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1748864111 QAAOAUYDZZFSJB-WAOWUJCRSA-N 449.577 1.079 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1748868228 UAJPKZLRPRUEKD-DEOSSOPVSA-N 443.592 1.892 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)OC(C)(C)C 1748948449 NIQUICMRMQIACG-UHFFFAOYSA-N 434.541 1.515 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)COC2)CC1 1749003858 XWRGYFQIZOCWHM-UHFFFAOYSA-N 438.488 1.856 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC1 1749016503 FRSOWOOMZSJZCX-SFHVURJKSA-N 444.486 1.654 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1749053226 DIFNRRRIFNJNIU-GQIGUUNPSA-N 431.566 1.340 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1749115335 GSEWMQBXRLFRPA-INIZCTEOSA-N 442.545 1.834 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(O)c2)CC1 1749303682 NGPNFMOAUKELLC-GOSISDBHSA-N 433.534 1.521 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749364848 XGIYVKWJBYSDFU-GOSISDBHSA-N 445.612 1.822 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C 1749730479 FYDWJVPDALXLID-HNNXBMFYSA-N 442.545 1.782 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749730966 XGKXXTPHDIQXTJ-FQEVSTJZSA-N 432.550 1.212 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749731842 MEYXSKHUVZFFIW-UHFFFAOYSA-N 447.561 1.929 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2ccccc2C1 1750006574 HQZKXPSWGFBGNP-WIYYLYMNSA-N 440.548 1.789 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760094951 BMDNKPOFNJPZBA-FPOVZHCZSA-N 436.560 1.873 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760189773 WRJBWACWLKQXEX-MSOLQXFVSA-N 430.530 1.466 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760308063 XGVMQHWGTMUAPL-MEDUHNTESA-N 425.287 1.169 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(C)c2)CC1 1760514349 CAFCILBPSGDVMF-UHFFFAOYSA-N 437.548 1.451 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760520177 DYCBBKVBMPDLML-MRXNPFEDSA-N 427.440 1.656 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@H]1CCCO1 1761478631 NQPRXHLAKJOWFY-NVXWUHKLSA-N 440.570 1.214 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)Cc1cccc(F)c1 1762610805 GWODFYWKLRSFDC-UHFFFAOYSA-N 448.506 1.678 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1765679070 TZFKHXKKJKFXAD-WMLDXEAASA-N 434.522 1.203 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)CC2)C1 1766152005 DXMSDPWDVBRNHN-UHFFFAOYSA-N 440.548 1.515 30 10 IDEE CO[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1768225990 BLFYNOLMAUTAQP-RXVVDRJESA-N 445.545 1.494 30 10 IDEE CN(C)C(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1768444654 FRHAXDXHBJVMKM-INIZCTEOSA-N 445.911 1.069 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1768939311 BPWRZOZEVWBCGL-UHFFFAOYSA-N 432.550 1.020 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1770015236 DFVNDXBBCNYXEG-XSAFGROZSA-N 432.525 1.765 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1770071935 DOJZPRSVNGAATM-YLJYHZDGSA-N 437.516 1.826 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccc(C#N)o1 1771219749 RRKLDSPFVZKUQK-INIZCTEOSA-N 430.509 1.820 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2cccc(F)c2)CC1 1853414851 ZLDCEDDYKTYIKH-UHFFFAOYSA-N 425.482 1.391 30 10 IDEE C=CCN([C@H]1CCN(C(=O)Cc2cc(-c3cccs3)on2)C1=O)[C@@H]1CCN(C)C1=O 1854218623 IOOBLELDUIXUCJ-CVEARBPZSA-N 428.514 1.792 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CC(=O)N(C)C2)CC1 1855594586 ZMDAGROGJQCMNX-INIZCTEOSA-N 431.514 1.311 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)[C@@H]4CCOC4)C3)CC2)cc1 1855640728 XENGUOWPQRHBGN-MSOLQXFVSA-N 431.514 1.371 30 10 IDEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)cc1 1857070971 YYHHOQZGBCZAJR-QGZVFWFLSA-N 425.510 1.999 30 10 IDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2nc(Cc3ccc(OC)cc3)[nH]c2c1 1860971762 YNIIDJSQXOWQSD-IBGZPJMESA-N 435.484 1.438 30 10 IDEE O=C([C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CC(O)C1 1869927772 AHWPAUZLJVBJCY-QGZVFWFLSA-N 431.539 1.230 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874277129 KVXLXPWUWPJFTQ-UWPAOYMWSA-N 447.517 1.951 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124515349 JRCNOZYKTAIANZ-QAPCUYQASA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2124523980 MVEWGRXYQVLUQY-MRXNPFEDSA-N 449.357 1.902 30 10 IDEE C#CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(Br)c1=O 2172898178 BPNSMXSEMLIKPN-CHWSQXEVSA-N 441.326 1.669 30 10 IDEE N#Cc1c(F)cc(Br)cc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C1 2174809786 DPKRUBJDGFFPGY-CBAPKCEASA-N 437.191 1.819 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](O)C1 2197483098 TZXLRPIJZKJNAJ-KDOFPFPSSA-N 440.294 1.992 30 10 IDEE C=C(CS(=O)(=O)NC[C@H]1COCCN1Cc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247904654 OXDAQJKYJCRWQP-IBGZPJMESA-N 436.383 1.994 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248404627 LPDAXPLSSBYNPS-IUODEOHRSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629366 UUNBKFGTYLOCBW-OKILXGFUSA-N 432.330 1.933 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2255693902 KDMLIDWLPJUUNH-NVXWUHKLSA-N 425.342 1.507 30 10 IDEE CCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255696092 PEGNPKVYIYEAGH-UHFFFAOYSA-N 437.350 1.491 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2255831713 ABUAWBXCHPSHQF-ZFWWWQNUSA-N 434.346 1.845 30 10 IDEE Cc1nc(S(=O)(=O)NCCCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255954419 YMRUAAMQNSFJQZ-UHFFFAOYSA-N 449.382 1.913 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256062462 LZMLRNDYOGVXKE-UHFFFAOYSA-N 432.330 1.715 30 10 IDEE Cc1c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2256402348 OQBBDMHGPNXMGN-KHPPLWFESA-N 434.346 1.838 30 10 IDEE COC[C@@]1(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2260799302 WBODFXOGGWWWRF-LCCNJJIFSA-N 440.346 1.943 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267265282 CZJQPHQFZKXJLW-MJBXVCDLSA-N 447.345 1.242 30 10 IDEE CC[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267603948 BSQSCGXNWLUPCM-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2301391201 IFYAYMJXKZNOBA-ZDUSSCGKSA-N 441.721 1.792 30 10 IDEE CC1(C)OB(c2c(F)cc(NS(=O)(=O)C3CC4(C3)OCCO4)cc2F)OC1(C)C 2366874238 BLFZOYXHDGNWEJ-UHFFFAOYSA-N 431.266 1.911 30 10 IDEE C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27107165 DJYAMKVCRJMFNV-LLVKDONJSA-N 440.382 1.705 30 10 IDEE C#CCOC[C@@H](O)CN(CCN1CCOCC1)Cc1cccn1Cc1cccc(OC)c1 35840859 HQONHYFSBUFMDO-DEOSSOPVSA-N 441.572 1.690 30 10 IDEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(Br)ccc21 44360673 HBIJPBWJHIEYNT-DOXHGZAWSA-N 442.360 1.950 30 10 IDEE Cc1sc2ncn(CCC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c(=O)c2c1C 108065128 MUJRPROIECGIRI-UHFFFAOYSA-N 430.511 1.983 30 10 IDEE C=CCn1c(=C2C(=O)N(CC)C(=S)N2C)sc(=C2Sc3ccccc3N2C)c1=O 252666403 BJTMCQVJPVYSPX-UHFFFAOYSA-N 444.607 1.591 30 10 IDEE CCCC(=O)O[C@@]12[C@@H]([C@H]3C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]4[C@]3(O)[C@@H](C)[C@H]1O)C2(C)C 256078472 FZXHDWWEDNRATG-RETLGJHGSA-N 434.529 1.281 30 10 IDEE CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)CC1 443316353 VWDPVMPBYMPNTA-UHFFFAOYSA-N 439.560 1.778 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 446635501 WSPJMLNPBWWEFB-NKELODKYSA-N 427.505 1.722 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(CS(C)(=O)=O)c1 464957648 GUQNVNGWYSJLLG-OAHLLOKOSA-N 428.518 1.313 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC(=O)N2C)cc1 472270689 AVBKLMBRSCDCAD-WIYYLYMNSA-N 436.516 1.477 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nnc1-c1ccco1 482181415 LVQIZXIFJBRBOP-CYBMUJFWSA-N 425.536 1.356 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(C)n2-c2ccccc2OC)CC1 492335777 JJZRRLXSBSHDTI-UHFFFAOYSA-N 444.561 1.123 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(C)=O)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1C#N)CC2 503716400 LPPINOUGATZHMJ-QZTJIDSGSA-N 430.530 1.038 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 538272996 AXSLVMYLSKHEKZ-IBGZPJMESA-N 435.557 1.546 30 10 IDEE Cc1cccc(CCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 553936907 CVIFZNPFYZMDRK-UHFFFAOYSA-N 427.530 1.910 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(OC)c(S(N)(=O)=O)c3)cc2C1=O 558125324 CPVWDPYWWILKCD-UHFFFAOYSA-N 429.454 1.055 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(C3CCOCC3)CC2)n1 577552809 GPTPVMJBUDHBPU-UHFFFAOYSA-N 425.464 2.487 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 583112549 UJAZTTTWRRKZIX-IBGZPJMESA-N 432.569 1.323 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669813174 BQYKHYFIDHOHNN-PKOBYXMFSA-N 429.569 1.079 30 10 IDEE C=CCOc1ccccc1CN(C(=O)CN1C[C@@H](O)C[C@@H](O)C1)c1ccc2c(c1)OCO2 674467993 VTLZBSJIBUPQAE-BGYRXZFFSA-N 440.496 1.941 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnn(-c4ccccc4)n3)cc2)CC1 727971770 IDJJSZBZZJXHFI-UHFFFAOYSA-N 425.518 1.649 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1CC 730141065 ZCLWWBKCHCBQBJ-QAPCUYQASA-N 447.605 1.773 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 740847802 XOKGFYWVUQTVNN-ZBFHGGJFSA-N 441.575 1.033 30 10 IDEE COc1ccc(C(=O)N2CCC(Nc3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1OC 742408290 QEMSJJPINLHUNL-UHFFFAOYSA-N 444.513 1.940 30 10 IDEE O=C1c2ccccc2C(=O)N1CC=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1 755644558 GIVGATBQCXOSTL-UHFFFAOYSA-N 436.453 1.971 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnn2cc(Br)cnc12 766988400 NHIKJRYEEXHZCU-UHFFFAOYSA-N 436.247 1.491 30 10 IDEE Cc1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n(C2CCOCC2)n1 771783398 DSEIZCUFOLHXLU-ZDUSSCGKSA-N 431.518 1.999 30 10 IDEE COC(=O)C1=C(COC(=O)[C@@H](O)c2ccc(C#N)cc2)N(C)C(=O)N[C@H]1c1ccccc1 780204447 HYLUYJKFYTVQDA-PMACEKPBSA-N 435.436 1.958 30 10 IDEE C[C@H](OC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)C(=O)NC1(C#N)CCC1 787642075 VGOWOQBMZBRQDK-VIFPVBQESA-N 430.280 1.204 30 10 IDEE C=CCCCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 790526164 NHMGXIFHLFXCPO-UHFFFAOYSA-N 429.564 1.381 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(CCCSC)c2=O)cc2c1OCCO2 839369651 HWWRBCFRQOJQSO-UHFFFAOYSA-N 429.523 1.469 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCOc3ccc(F)cc3)cc2C1=O 918812229 HHHDFJYRFHJUDP-UHFFFAOYSA-N 426.400 1.960 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2ccccn2)n1N)c1ccc2c(c1)OCO2 1084164174 UYHQIEMVUJTKLS-UHFFFAOYSA-N 426.462 1.683 30 10 IDEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)NC4=O)n[nH]2)o1 1084413521 RVMKXVSPGQQPTA-UHFFFAOYSA-N 425.430 1.767 30 10 IDEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(NN=Cc3ccccc3[N+](=O)[O-])n2)o1 1084495006 VZMNRPMTTGBQOD-UHFFFAOYSA-N 445.465 1.855 30 10 IDEE CN(Cc1cccc(C#N)c1)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1124929125 QNBOTWDYLWURHS-DYESRHJHSA-N 433.530 1.798 30 10 IDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(Br)cc1 1141460933 KMSFGYCQUQIITF-OAHLLOKOSA-N 439.335 1.650 30 10 IDEE CCOC(=O)Cc1cccc(N(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1159244152 BKDHBEXVTVRKSW-OAHLLOKOSA-N 429.498 1.994 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1170814238 BCMBWQYGGQRNCX-SFHVURJKSA-N 442.497 1.368 30 10 IDEE CNC(=O)CN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 1176305279 ZTQCTNABKXLLIR-UHFFFAOYSA-N 440.523 1.797 30 10 IDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1178206996 DXHVSXORDYQBIP-UHFFFAOYSA-N 427.526 1.698 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 1192213680 CQFSDTZURUMUBE-UHFFFAOYSA-N 428.532 1.192 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286342120 MKYBRMAZSQZZPL-JKSUJKDBSA-N 433.534 1.578 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1286397813 CUQRZOFKYMJWGU-UHFFFAOYSA-N 430.310 1.246 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1286431941 UBTKVFMCXHLYCB-UZLBHIALSA-N 432.571 1.612 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1286454671 ZTTRXZXZLZCTEP-KRWDZBQOSA-N 441.561 1.776 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnc(C)s2)CC1 1286495266 YQLFLNVHBHHSOU-UHFFFAOYSA-N 441.561 1.180 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286711709 OTQRKFBTQNKLBY-VQTJNVASSA-N 446.596 1.508 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(C)cc2C1 1286780125 CEOIETBXCUVZGE-UHFFFAOYSA-N 426.521 1.598 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286790160 OFBBDDCMGHZFLH-UHFFFAOYSA-N 445.593 1.631 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC=C(Br)C1 1286819027 WYJWVBSVIRRMLK-UHFFFAOYSA-N 439.339 1.825 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1cccs1 1288825406 DQXOCDUOTMVFEM-AFAVFJNCSA-N 442.542 1.299 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)CC2)c1 1290526923 NXYGIVVGDLQCPK-UHFFFAOYSA-N 439.541 1.775 30 10 IDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1293250224 GDPOLEHLLUWFSW-LTDXQCTPSA-N 429.525 1.568 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1296947196 PNZZTYGXWJLRNI-FRIYVGAWSA-N 428.533 1.761 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1300327372 AHIFZJBYNJEEMN-IIBYNOLFSA-N 441.467 1.110 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1300380755 HNRVNZLZGUWKJA-AWEZNQCLSA-N 443.533 1.587 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300497974 FMPKXAVWBHZLGX-LJQANCHMSA-N 430.578 1.231 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1300500747 CSNCUGNGOZTFPW-LJQANCHMSA-N 449.621 1.093 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1300501339 JVBBGWOMUMKEPH-SJORKVTESA-N 436.607 1.518 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300502858 YRVHLVSCBFRMOR-MOPGFXCFSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1 1300591484 QVGXRECKBNNDRS-HXUWFJFHSA-N 426.565 1.364 30 10 IDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300638655 SWFDYOJJCARNJU-SFHVURJKSA-N 431.562 1.907 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301505938 CNSCCCMJKXHTAS-WOJBJXKFSA-N 425.533 1.864 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1301527305 XKNZUYDRJRXLCH-MJGOQNOKSA-N 438.532 1.805 30 10 IDEE COCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301538982 DZZNFHOOOWQOQY-GOSISDBHSA-N 438.536 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H]1c1cnn(C)c1 1301578407 AAOXTNQCLVUMKJ-KRWDZBQOSA-N 428.522 1.411 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301611306 BDVJDWUJSCGZHM-HNNXBMFYSA-N 434.566 1.612 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301617286 BJTUQZDOSSMQME-QGZVFWFLSA-N 431.566 1.631 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1)S(C)(=O)=O 1302005064 XUVZMIIGRSEEKB-CABCVRRESA-N 433.534 1.511 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1303642653 XTDXOAFLJTXEDR-PMPSAXMXSA-N 440.570 1.164 30 10 IDEE C[C@]1([C@@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)COC(=O)N1 1303764356 DNVUMOWTIHKOFK-JLTOFOAXSA-N 434.518 1.242 30 10 IDEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CCO2)c1 1304601316 HCWKZNSFBMEBRW-FQEVSTJZSA-N 448.531 1.705 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(n2nncc2I)CC1 1312731474 JLBWDOIVICECKC-OLZOCXBDSA-N 431.278 1.963 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1313292884 UYIDIVHQEGGRLJ-OALUTQOASA-N 447.580 1.337 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1314110829 AVZKIFGQSHSODX-RTWAWAEBSA-N 434.516 1.775 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC1 1314628195 GYQIWCQKLRNBRN-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1315102529 HZMOUYQVSPDCSG-IBGZPJMESA-N 436.516 1.990 30 10 IDEE C#CCCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1358910322 KZQOQOANQWQRQC-UHFFFAOYSA-N 433.516 1.805 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1358913619 SLYUIDKONQDNEO-QGZVFWFLSA-N 448.618 1.762 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C1CCC1 1358941451 KQUYENDLKHMYBN-UHFFFAOYSA-N 429.546 1.724 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966540 RHQXGSHYSGQJNE-BJLQDIEVSA-N 449.621 1.357 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1359041706 FTCQTVSEXGRHNM-HXUWFJFHSA-N 434.500 1.198 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1359045898 XPDSHOLREYWCLD-GOSISDBHSA-N 429.565 1.986 30 10 IDEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359062113 WIAUBCRFOKOLLJ-LAUBAEHRSA-N 435.594 1.742 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359090098 UQKKNBQOKGJYJM-OTWHNJEPSA-N 432.569 1.750 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359126096 FTEJPKGWUKVALU-SVMVAKDDSA-N 433.553 1.880 30 10 IDEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1359135066 QVLVSXQARPUVRN-FQEVSTJZSA-N 438.532 1.894 30 10 IDEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1359153350 BZJVWFVGYMHXFF-UHFFFAOYSA-N 438.985 1.568 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359302818 VDUPZYLQAURXGC-GOSISDBHSA-N 440.548 1.675 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN2CCN(C(C)=O)CC2)C1 1359324624 OYQIXTVKLFDJIV-NRFANRHFSA-N 430.597 1.956 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359334792 QVJRNYJBYZQFSX-SJORKVTESA-N 437.566 1.149 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC(=O)N(C)C 1360250380 BPASFXHLWQKFTG-GOSISDBHSA-N 439.520 1.344 30 10 IDEE C#CCN(C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)[C@@H]1CCS(=O)(=O)C1 1435069878 TVEWSKXZHFMYAG-UKRRQHHQSA-N 426.288 1.180 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 1443745277 PTOBEKWFVFDVGQ-ZDUSSCGKSA-N 430.461 1.231 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)s1 1448439203 POZDSWLNIDXGAO-RDTXWAMCSA-N 428.576 1.439 30 10 IDEE C=CCCOCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451446061 LRIAASRDIGDDAR-MSOLQXFVSA-N 436.553 1.973 30 10 IDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c1 1453804760 BGDPFEJREVGFGK-FCHUYYIVSA-N 438.553 1.784 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(F)cc3F)CCCC2)CC1 1469867927 LKHUJNZZCHIYTR-UHFFFAOYSA-N 440.516 1.571 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(Nc4cccc(C#N)c4)C3)C2=O)cc1 1470618366 KOSWGPYOALVYIY-FQEVSTJZSA-N 428.452 1.958 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1471085030 ZBEQFZHXCSSQSP-OAQYLSRUSA-N 428.514 1.704 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 1471451309 RCUWYQOFCYUCEX-UHFFFAOYSA-N 436.331 1.828 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850896 UFIMLTWLGIIDFD-LAUBAEHRSA-N 427.530 1.688 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3cccc(OC)c3)cc2)CC1 1477889181 FWFNEKZLKQOBHT-UHFFFAOYSA-N 442.541 1.657 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1501194468 MLMIIHQHNLVDPR-XLIONFOSSA-N 437.548 1.500 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1502689196 WQMJFHGVAZFAJE-RVHYNSKXSA-N 445.524 1.048 30 10 IDEE COC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CCO1 1504711915 HUVUMQHRGRBNFH-RXVVDRJESA-N 431.493 1.683 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H](C)O1 1504714543 PWOBREVWJUHLFO-ZYSHUDEJSA-N 438.532 1.972 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1504995181 LXVDFCMPKSRQHN-MJGOQNOKSA-N 444.536 1.816 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCO)CC1 1505318955 SQULDNHHBHHIHW-SFHVURJKSA-N 441.511 1.729 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507637129 HXKWYVNNRWOINL-OTWHNJEPSA-N 436.578 1.819 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1507664900 IGGPIGIMDKTZEB-UHFFFAOYSA-N 449.559 1.468 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1507717984 KDOUAHPEBZAGIB-FQEVSTJZSA-N 443.573 1.676 30 10 IDEE C=CCCOCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OCC)CCOC1 1507966809 XHKSKVGDSDAWDR-JOCHJYFZSA-N 433.553 1.629 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCCC[C@@H]2C1 1508074523 QSTPIOUKFKRIJS-GOSISDBHSA-N 440.548 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1508075358 WIOVIUOUKZOGDE-OAHLLOKOSA-N 437.508 1.227 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508079271 QBMDVVJKZXLKTJ-MFEFFIJZSA-N 436.516 1.892 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1508087072 NJPKJGJHQJVKJP-CABCVRRESA-N 429.525 1.227 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNC(C)=O 1513025509 GOXQERGNTXZVJX-JKSUJKDBSA-N 425.541 1.695 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1513326659 VCBCRTHZHUOELE-HNNXBMFYSA-N 448.549 1.723 30 10 IDEE CC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1514065334 RLVYMWGUNIYIAH-QAPCUYQASA-N 448.549 1.750 30 10 IDEE CCN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1515326642 HNNRXOUWNCIIHF-UHFFFAOYSA-N 435.488 1.992 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1516806293 RPOAQQYOUMUKMS-HXUWFJFHSA-N 431.518 1.247 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)c(OC)c1 1518167612 QWFTZQFIBGRDSQ-MRXNPFEDSA-N 433.534 1.807 30 10 IDEE C=CCN(C(=O)c1cc2n(n1)CCN(C)S2(=O)=O)[C@@H](Cc1ccccc1)C(=O)OCC 1538618442 JVLLFQNDBTULKF-SFHVURJKSA-N 446.529 1.320 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1539016709 VGAATPBCNVGBCA-UKRRQHHQSA-N 438.579 1.077 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1539177944 CDOLTYZMCZZNCR-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539216707 WEFFWJUQXBBDRG-IEBWSBKVSA-N 428.562 1.309 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1539324919 ZKXAHTRAUYCKRE-LJQANCHMSA-N 431.606 1.908 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1539444093 FSYPJAWTQOAICY-UHFFFAOYSA-N 427.553 1.906 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN2CCCC2)CC1 1539481567 BFXQZVQILTYAGA-FQEVSTJZSA-N 449.603 1.962 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H](C)C(=O)NC 1539645423 NSCVWUFWVCRQAA-PJVZLEMVSA-N 435.569 1.802 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)s1 1540533072 KAFQRVFKRKSZAV-GASCZTMLSA-N 429.608 1.759 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3COc4ccccc4O3)CC2)cc1 1540647547 AFMIOMNTSQTIMM-KRWDZBQOSA-N 427.482 1.621 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1540863365 VAFUMNZDSFWVMW-YOEHRIQHSA-N 448.549 1.238 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC=C(C)C1 1540865101 VPLROFBFUIQPGQ-UHFFFAOYSA-N 444.561 1.654 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1540871383 KLTKVWKTRZCIEB-GOEBONIOSA-N 447.536 1.745 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1540896710 RXCZDDODTNVPTD-IEBWSBKVSA-N 447.561 1.801 30 10 IDEE C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1541841652 HFDCEBJJRHGENH-IAGOWNOFSA-N 432.536 1.667 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)CC1 1542893242 OZHKEJQGANZNEF-UHFFFAOYSA-N 446.551 1.822 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1545877483 DJBONGRJEJFUJM-LJQANCHMSA-N 440.545 1.463 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1548334267 FBMPWXBUFOGQJX-HNNXBMFYSA-N 448.549 1.642 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1)OC 1555251386 HWJJKEBXSAXZJG-HXUWFJFHSA-N 438.532 1.927 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)CC3(O)CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1556217409 ZTYPUURQUBWULZ-UHFFFAOYSA-N 446.552 1.401 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)Cn2cc(Br)c(O)nc2=O)CC1 1557718996 XYHARGAQORVWKD-UHFFFAOYSA-N 432.278 1.686 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 1558073236 OCJVJOKARKALRM-UHFFFAOYSA-N 438.358 1.630 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(Cl)c2Br)CC1 1561669030 XDRNMFYXFRSFOL-UHFFFAOYSA-N 448.770 1.299 30 10 IDEE C#CC[C@]1(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1566977803 WFFNQDMHGBRAPT-KSFYIVLOSA-N 437.537 1.600 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1587575406 VCYPKQPIYSGTMC-LBPRGKRZSA-N 435.326 1.776 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1588064870 QKLNXJCEHFEZFF-WOJBJXKFSA-N 449.621 1.214 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1588453007 YMAJUSHOORXLRG-UHFFFAOYSA-N 425.942 1.861 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1589579388 KTOKEZAONVPWMK-GBPOLFSSSA-N 447.580 1.967 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594023560 KPEKHCNZEVEVRQ-PMACEKPBSA-N 440.566 1.025 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1594669471 YABDCUSPPCWBDJ-UHFFFAOYSA-N 437.552 1.721 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1595302510 ABZFRCKYMQNUQW-MRXNPFEDSA-N 434.518 1.596 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1595593873 JMIVGROSUUAXOT-MRXNPFEDSA-N 428.562 1.848 30 10 IDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1597811871 LCKIHJVFURQFHM-UHFFFAOYSA-N 445.538 1.303 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN(C)CCOC 1614028536 HCLTZQFYMFZHJB-KRWDZBQOSA-N 427.557 1.186 30 10 IDEE CCNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1615967181 VLAOHSGKNFSYNR-UHFFFAOYSA-N 440.533 1.998 30 10 IDEE CNC(=O)CCN(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1618774624 AZLLBFUJUXLBMW-VHEBQXMUSA-N 443.533 1.029 30 10 IDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCOCC1 1620587125 UEMYUWSEKFNFIL-UHFFFAOYSA-N 427.480 1.928 30 10 IDEE N#C[C@]12CN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)C[C@H]1CS(=O)(=O)C2 1627136192 AUYABYRDHQLCAO-YVEFUNNKSA-N 438.918 1.879 30 10 IDEE N#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1627543657 NIHLPAMSBLSRHL-NSHDSACASA-N 429.285 1.481 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 1628147168 YEBBXADIBHSDET-XMMPIXPASA-N 427.545 1.685 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)C[C@H]2OCC)CC1 1636257504 KYQIOZRSJIUYLC-FGZHOGPDSA-N 426.561 1.695 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C 1636270484 HLLXUIWIXHAHEX-JKSUJKDBSA-N 431.541 1.230 30 10 IDEE C#CC[C@@H](NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)C(=O)OC 1638832965 YPQGGUIYHGKYBK-VXGBXAGGSA-N 441.435 1.692 30 10 IDEE N#Cc1cn(CCNC(=O)NCCNC(c2ccccc2)c2ccccc2)c(=O)nc1O 1638951904 XIUYMSIFJPBEAK-UHFFFAOYSA-N 432.484 1.499 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)C[C@H](O)C(F)(F)F)ccc1F 1640450928 OIJDSFGZFVSNJW-AWEZNQCLSA-N 428.404 1.302 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(C#N)CCOCC3)CS(=O)(=O)[C@H]2C1 1640487280 ORZPLIPCPYQDHW-OAGGEKHMSA-N 441.550 1.093 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cc(Br)cc2c1NC(=O)CO2 1643492619 YXRSITAHBULXOX-WUKNDPDISA-N 435.234 1.635 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)n1 1666241121 ATNNVZASVBWTFM-UHFFFAOYSA-N 446.552 1.565 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(c2ccccc2C#N)CC1 1676687913 GFRWSKXZUGJDDQ-UHFFFAOYSA-N 432.521 1.765 30 10 IDEE C#CCN(C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C1CCN(C)CC1 1685068934 WBBIDPSOZCRQTN-UHFFFAOYSA-N 431.541 1.309 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCC1(F)F 1686054989 FRFNDUFQOORFJE-RDBSUJKOSA-N 430.452 1.975 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 1687340427 RDOALLSWPUDHGU-UHFFFAOYSA-N 448.574 1.306 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1689829348 XMUYAYDUYPYOLR-CHWSQXEVSA-N 426.930 1.474 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1689851154 MTFAJUNSPNNISZ-NVXWUHKLSA-N 430.530 1.848 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(OC)CCOC2)c1 1689872140 PJLBUCLKEBAJBA-JPYJTQIMSA-N 439.516 1.644 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCc1ccco1 1690015628 SVTATKQXCMSGBQ-UHFFFAOYSA-N 441.451 1.576 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1690072806 URLAYGXKEDNKPS-UHFFFAOYSA-N 427.578 1.960 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(N2CCOCC2)n1 1690104058 LNWQMUQCDGXUJC-GOSISDBHSA-N 426.521 1.148 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)C2CCCC2)CC1 1690113441 JSHRNASKTBGIIN-QHCPKHFHSA-N 430.597 1.560 30 10 IDEE C#CCSCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690185786 GYZHRDBRBVSSJS-UGKGYDQZSA-N 449.621 1.455 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690667886 LJPXFVMOWWGUGJ-UHFFFAOYSA-N 449.519 1.076 30 10 IDEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1691213719 HSBYQPOPJVEPLS-UHFFFAOYSA-N 435.492 1.878 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1ncn(C)n1 1692530735 AZTKCQZCTLFGLX-UHFFFAOYSA-N 448.535 1.181 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1Cc1ccc(C#N)o1 1692799199 GFOQVQKHWJOBSB-LSDHHAIUSA-N 433.538 1.076 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCCOC(F)F 1693747122 LWYSICAHGVEVKX-GJZGRUSLSA-N 448.478 1.788 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(C)COCCO1 1694117421 KRFVDTVMPSWULQ-KSFYIVLOSA-N 442.568 1.837 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697745616 BTNJQAUXSSAXLP-WBVHZDCISA-N 428.541 1.305 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCCN2CCC[C@H]2CO)cc1 1698489249 QQTHSYCYBXOUOW-FQEVSTJZSA-N 440.548 1.802 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC(CO)CC1 1698520762 QNSGGNOGZUIIJH-KDDVOAFDSA-N 430.509 1.255 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CCN(C)C)CC1 1705490023 BBPYUWUQMILPLR-QGZVFWFLSA-N 441.580 1.737 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C(C)C)N1CCOCC1 1705603592 QXXFMYGSIRGVGB-FKBYEOEOSA-N 443.592 1.822 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC1 1705626679 FIAXBSPBSOBKEU-MRXNPFEDSA-N 432.550 1.361 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1705698307 RYLYCHMXXQGELH-YVSFHVDLSA-N 441.598 1.731 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705736124 LDIDHGIARYSWMZ-LJQANCHMSA-N 427.553 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(OC)C1 1705896138 CJKDYINHUWPELE-OAQYLSRUSA-N 447.561 1.656 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncccn2)CC1 1705902681 LHRCVEDLKGZLAF-UHFFFAOYSA-N 432.532 1.926 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cccnn2)CC1 1705934933 BGTFQPVVXRCSFS-UHFFFAOYSA-N 433.582 1.584 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705935405 QHZOSARPRDOLKB-UHFFFAOYSA-N 439.567 1.148 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)CC(F)(F)F)nnc1[C@@]1(OC(C)C)CCOC1 1705938685 HFCOBJHSPWBEGI-MRXNPFEDSA-N 440.488 1.918 30 10 IDEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712164903 RIXSUXIFLGZJFQ-MSOLQXFVSA-N 430.484 1.850 30 10 IDEE COCCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1712403259 DTZJYNHLWDQGBR-MOPGFXCFSA-N 440.504 1.422 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccc(F)cc1 1722276010 GWGNWBRQNNJPDM-HOTGVXAUSA-N 436.557 1.617 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722316077 AUKIBAKUSJRNDP-RBUKOAKNSA-N 435.594 1.142 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1722435047 DYOBESXTCVZKCQ-WOJBJXKFSA-N 425.581 1.538 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)N(C)C)CC1 1722449809 ZYMOJDAPQRIFOH-UHFFFAOYSA-N 447.543 1.404 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1722474130 LZWTUJZJTKVNKD-LAUBAEHRSA-N 435.594 1.283 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)C(=O)C1 1722508623 SWTFQQDULUBUFC-YLJYHZDGSA-N 428.537 1.560 30 10 IDEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722629293 PKZXWUUJKCECMF-UHFFFAOYSA-N 444.580 1.531 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722693035 BTITVFFIRKDXBA-CQSZACIVSA-N 427.465 1.213 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3c(ccnc3O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703598 CUAHLBCSJRRHEA-QFIPXVFZSA-N 442.520 1.284 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNC(C)=O)C1 1722715331 OHBVLAZXWIJRAD-GOSISDBHSA-N 447.561 1.656 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC(C(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1722934283 NRMNTAIGBYGTRD-ZPHPHTNESA-N 429.525 1.095 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723585899 QQPWWTSSBZUFIA-DXNFXHBHSA-N 429.525 1.425 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1724012797 ZRGZZQRODQYLMJ-QEEYODRMSA-N 434.566 1.225 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1730401148 FMCFEPYULBNIKA-SFTDATJTSA-N 438.532 1.927 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1730690272 ZUXFWFVETSJFCU-IBGZPJMESA-N 425.537 1.487 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1740591438 PGGNHEDQHDBRHV-MRXNPFEDSA-N 435.575 1.649 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1740656193 HZROONLEJUEOAE-SFHVURJKSA-N 427.530 1.485 30 10 IDEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 1740859018 FBBNAMZCZDUVRY-UHFFFAOYSA-N 446.577 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740957448 OMGDAMQLBJHNJR-UHFFFAOYSA-N 426.550 1.663 30 10 IDEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742325382 WZCMLFDGAMCMSR-ZBMSZTRUSA-N 436.451 1.617 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1743333786 RBGHQSLNQLXKRU-NZKCYVOASA-N 430.509 1.660 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1748755665 AIOMMCQOUWERDD-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1748765534 KQMDDWBYNHRBFN-HBFSDRIKSA-N 444.580 1.205 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748775635 PFKGJPMNDPCAGH-QGZVFWFLSA-N 439.335 1.327 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCN(CC)CC1 1748779494 MEDSIUGLAIYSAJ-UHFFFAOYSA-N 434.552 1.018 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1748816038 VYFMDGIMVAJHLK-PKOBYXMFSA-N 444.561 1.488 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C(C)(C)C)CC1 1748982840 DTHRKBXAOCWNPI-UHFFFAOYSA-N 429.956 1.911 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N(CC)CC)CC1 1749010560 SKKOHSMYLSKALM-UYAOXDASSA-N 430.597 1.868 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1749033368 DYYSCRWVQDVJGM-CQSZACIVSA-N 437.529 1.627 30 10 IDEE C#CCSCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1749047606 AQFZFEZUYFPJQW-DYESRHJHSA-N 448.593 1.337 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1749413703 XLFKOKRYWFOFJC-OAHLLOKOSA-N 426.587 1.549 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1749456770 AGGCPGZLLCXTOC-IBGZPJMESA-N 447.561 1.724 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1749732591 ZYTNMRMUASECAN-UHFFFAOYSA-N 437.595 1.633 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749755569 JPXKIHLDAWKZBV-QZTJIDSGSA-N 435.594 1.919 30 10 IDEE COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1750106914 CRLIOJJYMSLVBC-SFHVURJKSA-N 433.534 1.351 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1750204755 IDMKUQMSKDVMLJ-GOSISDBHSA-N 444.561 1.020 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1750662789 DMPNWWIJBWDCFP-GHTZIAJQSA-N 429.546 1.991 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760122724 QYPPBLHLZWTHEV-UWJYYQICSA-N 432.546 1.481 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1760155501 ZTVPKPJGTGKQFJ-LJQANCHMSA-N 431.562 1.969 30 10 IDEE C#CCN(c1nnc(C)n1CCCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760181040 OSNKGMWPUPBUTD-GOSISDBHSA-N 426.546 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1760199376 VJJIQFVCNOUZGB-JOCHJYFZSA-N 435.509 1.116 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(CC)C1 1760205785 JQAYNMMCEPILQA-FQEVSTJZSA-N 432.576 1.867 30 10 IDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1760221544 AVSYWSURQKQQQH-IBGZPJMESA-N 426.542 1.797 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccn(C)n2)C1 1760540036 ZWXLYJLXUUOZHE-SFHVURJKSA-N 442.545 1.912 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760557653 SMRCSZIZRRGMQE-UHFFFAOYSA-N 448.593 1.758 30 10 IDEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1760933645 MZZVJZUUTGRKCZ-ROUUACIJSA-N 437.539 1.934 30 10 IDEE Cc1occc1CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1761615712 UHVRRCLMGAHKQB-ZPHPHTNESA-N 441.492 1.481 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1764504005 BMSMUOLVSYNPLF-GOSISDBHSA-N 433.520 1.736 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1766988247 QPOCVGMVRGAWED-IRXDYDNUSA-N 445.593 1.675 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1767540503 GJENMVQWYWSARE-MWTRTKDXSA-N 438.532 1.973 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1769156469 CNRVXUDFRZSMPB-GAJHUEQPSA-N 435.532 1.694 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1772564691 SMKUCEJGZUJRRJ-SFHVURJKSA-N 437.610 1.838 30 10 IDEE Cc1cc(C)c2c(=NC(=O)CN3CCC(C(=O)N4CCC(C#N)CC4)CC3)[nH]n(C)c2n1 1852532752 MZKZWWIPXHHKJT-UHFFFAOYSA-N 437.548 1.420 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862601576 IDWVPDGIIKQUIW-GOSISDBHSA-N 429.425 1.989 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2CC 1864319013 KZTITDHAEQBKCG-LJQANCHMSA-N 439.516 1.723 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)cs1 1890846917 ZQMXEFKCQSXULD-ZDUSSCGKSA-N 428.461 1.158 30 10 IDEE C=CCC1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1896039909 VNSYAAFAZYJEQR-HUUCEWRRSA-N 425.526 1.896 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010545887 AXOFJIZYVGPFLW-XXBNENTESA-N 428.533 1.985 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 2054371234 JBCAYRQYQUFMNH-AWEZNQCLSA-N 438.388 1.852 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637980 QONIWIHZRLWEOL-KGLIPLIRSA-N 434.302 1.085 30 10 IDEE C#CCOCCOCCNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2069485777 AKVPHKGLPYKDHF-DEOSSOPVSA-N 445.560 1.938 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC(O)C1 2073249210 YZEKMQACOPUCGQ-UHFFFAOYSA-N 434.302 1.133 30 10 IDEE N#Cc1cccc(OCCNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2184127740 BNCXJJQCEOMJFE-UHFFFAOYSA-N 427.482 1.933 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2255648322 BNLTUCUSRZDKMZ-KBPBESRZSA-N 434.346 1.895 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2255679164 KPVSFNTWMQLIEM-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1 2255817766 AUUGOPYOPPYXEB-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255843752 LLRLCOSEBHLKGG-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164386 QWDIZCROHGQRQD-FPTDNZKUSA-N 444.341 1.905 30 10 IDEE CC1(C)OB(c2cncc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2267272019 WFVNJEDKHBPIBR-ZDUSSCGKSA-N 441.259 1.912 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCCN(Cc2ccccc2)C1 2267273663 PXNRQPVQNZJFGS-SFHVURJKSA-N 439.369 1.899 30 10 IDEE CCn1cc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267491065 XLYYNBHRBVTKIA-MIFYACCESA-N 446.357 1.797 30 10 IDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267504673 VXFJZEHLIJXDLP-ZIAGYGMSSA-N 446.357 1.657 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2267548633 UBCVGWITIRPJSO-STQMWFEESA-N 449.361 1.536 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337289659 LKXKCPBGPZJPCF-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE N#Cc1cccc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccccc4)CO[C@H]23)c1 4259708 JECISGJVUAPUME-INDMIFKZSA-N 433.428 1.866 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)CC1 27900896 MHQUPCHONMGMHK-UHFFFAOYSA-N 441.454 1.522 30 10 IDEE CC(C)C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)ON1C(=O)CCC1=O 108860532 SOBQOJZFQOOYKN-XJKSGUPXSA-N 427.498 1.674 30 10 IDEE C=CCCN1C(=O)[C@@H]2[C@H](c3ccc(OCCC)cc3)N[C@@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 253374977 OCKXDRBYQYEQJY-VDNWNZSNSA-N 430.457 1.595 30 10 IDEE C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409884051 DPQGNVCPVHMQQT-BBRMVZONSA-N 428.294 1.882 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(CCO)[C@@H](C)C2)cc1 426485874 XRMYMBBTLDPREC-INIZCTEOSA-N 425.533 1.911 30 10 IDEE C[C@H]1CCc2nc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)sc2C1 434818995 WNZLLZCRJLEPCL-QWHCGFSZSA-N 425.518 1.605 30 10 IDEE N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)n1 444504593 AJLPZABTGBXZTI-HNNXBMFYSA-N 437.435 2.331 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(c2nccn(C)c2=O)CC1 467171694 UZMNKVZPYATWLJ-INIZCTEOSA-N 426.546 1.793 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)Cn3ncc4ccccc4c3=O)CC2)c1C#N 472064524 SCYQLGKFYVKYLV-HNNXBMFYSA-N 434.504 1.230 30 10 IDEE CC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 478373590 HCPNFDHHUBYYDZ-FGSXEWAUSA-N 426.473 1.560 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@@H]1CCCO1 480941087 XMIKTJJMIRWNFE-INIZCTEOSA-N 445.541 1.248 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)CC1 486114474 HHSNTYNKVIODDD-JTHBVZDNSA-N 437.544 1.455 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508464027 KGLQAXRNJTZGFA-UHFFFAOYSA-N 440.548 1.893 30 10 IDEE COCc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 608977043 BWNYVWYKJVSNMG-UHFFFAOYSA-N 435.527 1.400 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cn2)CC1 608984271 SIDLUWOKZXMGER-UHFFFAOYSA-N 448.575 1.958 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](N3CCN(c4ccccc4S(N)(=O)=O)CC3)C2=O)cc1 615456298 UYZXPNKBHCTSDX-HXUWFJFHSA-N 439.541 1.523 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cc1c(C)[nH]c2ccnn2c1=O 733544091 HAWSBGFTSIUCON-HNNXBMFYSA-N 437.456 1.761 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 757810925 QVIPLAKNUNHLCP-BZSNNMDCSA-N 432.587 1.456 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@@H]1CCCO1 761834671 DURXZRJMLBFXMD-AWEZNQCLSA-N 442.566 1.228 30 10 IDEE C#CCN(C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 774059307 WBXFQRYBIPTXLU-GFCCVEGCSA-N 427.408 1.940 30 10 IDEE C#CCN(C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 774196318 ZSEOZKAFJPQULI-HXUWFJFHSA-N 433.574 1.739 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 790191571 VIWQCRAWBKUBSJ-UHFFFAOYSA-N 434.743 1.158 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 790686398 CEQVMFYZEIEDNW-UZUQRXQVSA-N 441.484 1.795 30 10 IDEE N#Cc1ncn(CCN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 795174496 AXVKPNNYCQTCHV-OAHLLOKOSA-N 427.465 1.589 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800776687 NWCIMHBHVZUZOV-MRXNPFEDSA-N 426.550 1.601 30 10 IDEE Cc1ncc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N 813705427 KFIXUTAEFAKARQ-QGZVFWFLSA-N 435.550 1.577 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 814613425 NECWPKKJYUXNIQ-UHFFFAOYSA-N 437.474 1.449 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 915616943 ASGMZTZGMNLGFR-HXUWFJFHSA-N 428.533 1.624 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 916775251 NSVAGOWTSITBBJ-LJQANCHMSA-N 447.538 1.748 30 10 IDEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 1084589371 BUDRHCJFKQHUPL-UHFFFAOYSA-N 445.530 1.937 30 10 IDEE COC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1130887645 SKAJYISOQMWJOH-FQEVSTJZSA-N 435.546 1.517 30 10 IDEE N#Cc1ccccc1CSCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1135827839 IQALXKNSNXKPIF-GOSISDBHSA-N 428.489 1.721 30 10 IDEE CC1=C(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[C@@H](C)n2nnnc2N1C 1136286898 KXRRNCMLRDLCLM-GTMGWDBPSA-N 444.521 1.409 30 10 IDEE Cn1cc(N2C[C@@H](C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)CCC2=O)cn1 1141515317 XTOIHVOLDNAJGO-INIZCTEOSA-N 446.515 1.552 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)C1 1143720284 RKFJWYUIHNYIRR-MRXNPFEDSA-N 431.493 1.494 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC3CC3)[C@@H](C(N)=O)C3CC3)CC2)cc1 1171945402 WWQTXWSYGIPQGQ-HXUWFJFHSA-N 444.557 1.461 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1175931575 FTYZIOXDBZNXLD-OALUTQOASA-N 437.585 1.486 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1 1177755152 XVGKDJCMFFQRQV-DLBZAZTESA-N 439.965 1.625 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCS(=O)(=O)CC1 1286284023 ZKJFFGYBXWPYFW-OAHLLOKOSA-N 446.529 1.114 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1286453077 UVZKDRBETUKYLE-UHFFFAOYSA-N 445.462 1.881 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[C@H]2COCCO2)CC1 1286484586 RUIZMLXNLFTAIC-NRFANRHFSA-N 425.533 1.726 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1286486260 KAVVKHXXFYDESK-WZONZLPQSA-N 429.565 1.880 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1286522154 HYRFTCUWAYLLHX-LAUBAEHRSA-N 429.546 1.402 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286565885 QFNWJQPSLFIZMM-DENIHFKCSA-N 430.597 1.858 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](C)C1 1286773503 PMGPOHAFDAKIPH-KURKYZTESA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286781890 DDDMHTPIRCHUNC-PBHICJAKSA-N 439.476 1.118 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNC(=O)C(C)C 1286791524 VBMAREZTTGBOQR-GOSISDBHSA-N 442.520 1.301 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286825502 RJZLORFYNBXDOX-NRFANRHFSA-N 445.593 1.919 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1287119688 COUDVCQHHGPHCF-UHFFFAOYSA-N 433.520 1.735 30 10 IDEE CC[C@H](C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291772247 MZMIOLBQHZEDMT-KBXCAEBGSA-N 438.536 1.494 30 10 IDEE CCc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1292489444 XRIXVSVERYSCFO-QGSQVHNNSA-N 449.515 1.346 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1300395804 DRFYKOCWKJGLRP-UHFFFAOYSA-N 442.559 1.311 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1300408810 CJLWZLCNCSILSA-NHCUHLMSSA-N 436.560 1.934 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300431569 ICINAYOXYVZGQJ-SPEDKVCISA-N 445.543 1.346 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1300509284 IXGCUWHQLPDLEN-YWZLYKJASA-N 433.509 1.008 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1300665357 ZGOVDUGOPCJPIF-UHFFFAOYSA-N 442.545 1.411 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(C)COCCO2)CC1 1300691087 OFGQFQMEGHQSHR-QHCPKHFHSA-N 441.532 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2ccc(Cl)cn2)CC1 1300730992 JPSPMIBPSLQHTD-UHFFFAOYSA-N 446.939 1.908 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300989877 RWUXGJNHODNZCD-SFHVURJKSA-N 448.568 1.286 30 10 IDEE Cc1cccc2c1C[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)N2C(=O)OC(C)(C)C 1301213909 VGHKOKYCYAVEAQ-KRWDZBQOSA-N 439.472 1.612 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1301835902 DCFFSDYCBDGKGW-UHFFFAOYSA-N 438.532 1.853 30 10 IDEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1303889288 CNGSMIIWVZGRPK-HXUWFJFHSA-N 431.518 1.125 30 10 IDEE COc1ccc(-c2nc(CCNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)co2)cc1 1306473922 SJBOZRSKUUKJPF-UHFFFAOYSA-N 440.481 1.859 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)ccc2c1=O 1306902144 QUVCDLUNHIXXSI-KRWDZBQOSA-N 433.555 1.911 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1307053660 JDJPDYJDDWEWEK-IXDOHACOSA-N 425.603 1.891 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)CC1 1307904544 LVTGLZUEDKRTDT-ACRUOGEOSA-N 448.608 1.548 30 10 IDEE COc1cc(CNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N 1312651201 NHLANUBNAXFXSI-MRXNPFEDSA-N 443.504 1.586 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1314632999 AGTRFIKJIJJXLU-GOSISDBHSA-N 436.520 1.335 30 10 IDEE CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315155123 GIIGWUXTPXSGQR-INIZCTEOSA-N 441.511 1.886 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1316179795 WWBLSUGSXIUXBY-XOBRGWDASA-N 431.472 1.846 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)OC 1316206615 PAXZBASATKLUOB-DLBZAZTESA-N 429.525 1.630 30 10 IDEE COCCOC1(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1316225783 UOMVGAXUFZVTKX-GOSISDBHSA-N 428.493 1.281 30 10 IDEE CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@@H]2C[C@@H]2C#N)CC1 1350899296 FSVBCUAGJYACAX-SJLPKXTDSA-N 431.562 1.711 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358962915 ZATDHUCLMRUCOH-ZWKOTPCHSA-N 427.530 1.213 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1358968031 XYHISNFROSMOIR-NSHGMRRFSA-N 438.594 1.893 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)CCOC)CC1 1359032998 LXIXTELISYXIEE-QHCPKHFHSA-N 443.548 1.505 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](CCC)OC)CC1 1359038166 MMXISMQBXHMFAX-KRWDZBQOSA-N 430.578 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2noc(CC)n2)CC1 1359044389 DVLQRWLQPOVFSC-QGZVFWFLSA-N 441.536 1.674 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359053937 FDLFUDQUZOYRSN-KRWDZBQOSA-N 439.589 1.496 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1359295459 BQHKBAIPMTXELI-MRXNPFEDSA-N 442.520 1.355 30 10 IDEE Cc1cc(F)c(C#N)c(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 1458085477 NZODAMVYDZVMPO-UHFFFAOYSA-N 445.520 1.748 30 10 IDEE COc1ccc(C(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c(OC)c1OC 1459624940 JBJNIWOZZGKHPY-QGZVFWFLSA-N 447.532 1.542 30 10 IDEE Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1463165319 WEDYOCJCUZBQIN-IFXJQAMLSA-N 439.559 1.082 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1467460927 CPBFZKWOQJWCSB-CQSZACIVSA-N 432.539 1.473 30 10 IDEE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1470336764 ZOBSOTRYTGOFHE-GOSISDBHSA-N 430.482 1.984 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)C1 1473824401 IASPBBJSNUOQOE-FIYPYCPBSA-N 425.551 1.273 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1478283912 CBVGIZHKUVOPGZ-STQMWFEESA-N 443.488 1.932 30 10 IDEE COc1cc([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1S(C)(=O)=O 1479582999 HOAQPMDWCFPSKV-HNNXBMFYSA-N 443.529 1.958 30 10 IDEE CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1501212912 QERZMZFDJHQTAP-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1507622659 KFKDCRKDSDSBSJ-IBGZPJMESA-N 441.557 1.498 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507630821 IKGSMCJNJBAAAC-SFHVURJKSA-N 439.545 1.480 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1cnc2c(Cl)cnn2c1)[C@@H]1CCS(=O)(=O)C1 1507635495 WGMMBHMOOZPPAS-OAHLLOKOSA-N 447.952 1.406 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1507641977 GFQHVBJNXRQNFQ-MRXNPFEDSA-N 429.546 1.237 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1507660035 LALLJTOYOKXLKU-RBUKOAKNSA-N 448.637 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccn(CC)c1=O 1507667566 OJRCIKSDPZKXAH-UHFFFAOYSA-N 432.484 1.699 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1507690219 QUKCLBYELKLIRO-QGZVFWFLSA-N 439.488 1.397 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCN(C)S(=O)(=O)CC)CC1 1507722922 NVCOQUPMDBNFBE-UHFFFAOYSA-N 430.578 1.372 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507756720 QLQZQBFLTPQXEP-UHFFFAOYSA-N 448.618 1.538 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507836206 AUSYJVAPOAQEHP-JOCHJYFZSA-N 432.569 1.295 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(C(=O)NC)CC1 1508079230 PRSOLOBDDSUIMO-UHFFFAOYSA-N 433.516 1.758 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1508081508 ZYLDQRFKHDCKDW-UHFFFAOYSA-N 446.515 1.061 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2CCS(=O)(=O)CC2)C1 1508125751 IOBWIIVAEZOORM-LJQANCHMSA-N 431.562 1.870 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1509953805 NVUQNGJCFMSBAQ-RYRKJORJSA-N 446.581 1.621 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1509954659 QRGQWEWGHYXDJX-HNNXBMFYSA-N 437.508 1.728 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1515392884 GZRGBYYETKNUDU-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE COCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519035307 KOLJDLDDVAVOLX-GOSISDBHSA-N 442.568 1.839 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCCCC1 1521423303 LTTLRENCJJUEII-KIJUOZEOSA-N 448.549 1.087 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 1525683715 MPQPXGKCDMYKQS-HNNXBMFYSA-N 425.441 1.884 30 10 IDEE N#CCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(Cl)cc1 1526711591 HCXNLBNLQMRTFX-UHFFFAOYSA-N 432.889 1.631 30 10 IDEE Cc1c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nn1C 1537537313 MPRQXALWOBRZOG-UHFFFAOYSA-N 445.501 1.411 30 10 IDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccccc1Br 1538310475 XPTQQIJNNPCDKN-UGSOOPFHSA-N 449.330 1.954 30 10 IDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1538861980 NUALRRDSCPAVAL-HXUWFJFHSA-N 437.500 1.732 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc2n1CCCCC2 1539333717 LNSDOYBBOCAFSZ-UHFFFAOYSA-N 431.548 1.969 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](CC)N2CCCC2)CC1 1539429905 DSLKVAGCDOEFBW-REWPJTCUSA-N 430.597 1.560 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2(OCCOC)CCOCC2)CC1 1539444256 LQDGQDYUGBKRIA-UHFFFAOYSA-N 428.537 1.241 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1539533177 LUTOYBIECZWWMC-HSZRJFAPSA-N 427.597 1.532 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2C(=O)[C@H]2CCCOC2)C1=O 1539853378 DBWOOCCAHMYISM-LBPRGKRZSA-N 433.848 1.865 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1540701211 WFDPELSTQSEZFD-HZPDHXFCSA-N 445.582 1.388 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1541657241 FCBOZBGUPKBDRX-IFXJQAMLSA-N 443.474 1.214 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@](C)(O)C(C)C 1541673866 GHXVOERHDGQQSB-JOCHJYFZSA-N 440.552 1.417 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=NN3CCCN=C3N2)cc1 1542161615 JWFZZYNUZHYBDA-JLPGSUDCSA-N 431.522 1.197 30 10 IDEE COCCNC(=O)[C@H]1CN(C(=O)N(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368027 IMAKKZFRAOSXSH-MRXNPFEDSA-N 427.427 1.512 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1554527243 FJBRVZMYBNYZJN-SFHVURJKSA-N 425.489 1.748 30 10 IDEE COC[C@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555263404 UECYNMCIFREXDF-RTBURBONSA-N 442.495 1.948 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1555691366 PXVPSUZGQRCMQT-NZQKXSOJSA-N 440.548 1.515 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)Cc1ccccc1 1558643550 YSRFGRKNZCLFGO-NPPFBWRTSA-N 447.557 1.909 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C1 1560221722 FOQCTWIUUIGWIV-HXUWFJFHSA-N 430.549 1.729 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)CC1 1563113065 HZCBFVUZTVSUHF-PMERELPUSA-N 433.534 1.395 30 10 IDEE COc1cc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1OCc1ccccc1 1563648383 CQFSHHASCJTQOH-UHFFFAOYSA-N 449.467 1.908 30 10 IDEE N#CCN1CCC(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1586040282 KTXSSFGSTVUBKN-UHFFFAOYSA-N 440.591 1.106 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@]4(C)C(=O)NC(=O)[C@@]4(C)C3)C2)C1 1587061401 XWZQQBBXBMMEOX-KGHXDHAUSA-N 430.505 1.284 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587549803 CHRGACGFNZVPDF-ROUUACIJSA-N 437.548 1.640 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)SC)CC1 1588885348 VXKVMPXTBNEGBN-HNNXBMFYSA-N 434.610 1.914 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594644826 GBHFSWRYVCYTDF-UHFFFAOYSA-N 429.525 1.277 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COCC2 1594962864 NQJBFCRIGCSCSV-LJQANCHMSA-N 447.561 1.354 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1595530208 WRNBNQLSYZXRGB-UHFFFAOYSA-N 425.537 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)cc1F 1595789178 OORZIUBMGKAXJK-INIZCTEOSA-N 439.488 1.745 30 10 IDEE COc1ccc(OC)c(CN(CCO)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1598134226 VGQZNSOUQBKNDQ-UHFFFAOYSA-N 436.461 1.775 30 10 IDEE CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1610016607 FRFHCBAOFJMRBG-GOSISDBHSA-N 439.520 1.390 30 10 IDEE CC[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)N1CCCC1 1613660020 KZIZNACYKVUTSG-DXIQSLLYSA-N 432.569 1.922 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1617384806 RHUCXHILJBRAMD-OAQYLSRUSA-N 444.561 1.763 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(C)=O 1619466044 MQBCLXZTOVFHOH-INIZCTEOSA-N 430.534 1.834 30 10 IDEE CS(=O)(=O)CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1620160747 QSPPQZGNVOQNIH-GOSISDBHSA-N 426.518 1.171 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)C[C@@H]1O 1620300202 XYRDTZFKPVZISO-BEFAXECRSA-N 429.546 1.849 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCSC[C@@H]2c2cnn(C)c2)s1 1623428794 RCZOJBPFTQYRDM-OAHLLOKOSA-N 426.589 1.805 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 1623729954 FRYTVQKSSLRUGJ-LJQANCHMSA-N 426.448 1.633 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N(CCC#N)CCN3CCOCC3)cc21 1627068014 NDTKKCGCYKQHLD-QGZVFWFLSA-N 446.552 1.931 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1627531842 CCSLTQSPPXHQIN-GUDXXQAFSA-N 434.518 1.349 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 1628920133 ICNYAYZUKBDBPA-SFHVURJKSA-N 448.545 1.496 30 10 IDEE Cn1cc([C@H]2C[S@](=O)CCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1632819526 RCGTWKNQLDZEAB-VPTFNQTCSA-N 434.562 1.703 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)cc1 1633280423 MJSCKHLTGNDMDM-IBGZPJMESA-N 430.482 1.598 30 10 IDEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CC#N)CC1 1635737146 GZFLYNUVKWHJFT-UHFFFAOYSA-N 442.213 1.706 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 1636475768 WPADHHLWIXVPRW-UHFFFAOYSA-N 435.509 1.522 30 10 IDEE C#CC[C@H](NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F)C(=O)OC 1638832962 YPQGGUIYHGKYBK-NEPJUHHUSA-N 441.435 1.692 30 10 IDEE CC(=O)c1cc(Br)ccc1OCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636746 NJVYIQXSZNYUFG-UHFFFAOYSA-N 447.245 1.248 30 10 IDEE C#CCOCCN(C)C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1640913950 OYODVUKVZKUBPJ-UHFFFAOYSA-N 430.530 1.264 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)nc1 1643752929 MQPWIDICHXLRIJ-OAHLLOKOSA-N 438.431 1.837 30 10 IDEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1645168430 CAPBMRNEVCILMQ-KZNAEPCWSA-N 449.529 1.321 30 10 IDEE C=CCCC[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1645502300 AXHYPCHFMBJFRH-GHYICZDASA-N 429.517 1.914 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c3ccncc3)n[nH]2)c1C 1648266326 IILKSXUURSWWTK-WOJBJXKFSA-N 438.488 1.866 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)[C@H](C)O)cc1 1648719139 FWONTNUPIYFCMH-XJABCFGWSA-N 442.541 1.502 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1652521018 JTQXWWOILLFIRE-ZJBJCVSYSA-N 445.541 1.918 30 10 IDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H]2CCCC[C@H]21 1659334345 RGFRVIMBPKSSLV-SCTDSRPQSA-N 429.521 1.557 30 10 IDEE N#Cc1cc(S(=O)(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)ccc1Br 1671680187 ALUSQIGDDIAHPT-QGZVFWFLSA-N 436.287 1.829 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccnc3N3CCC(C(N)=O)CC3)CC2)cn1 1677185839 CRCAWFPXCXWMLV-UHFFFAOYSA-N 448.531 1.082 30 10 IDEE C=CCCC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 1683733647 GWNXSAOAVWHEOL-OAQYLSRUSA-N 449.621 1.903 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1689965829 DUIVWXZUXUGSRW-QGZVFWFLSA-N 439.488 1.201 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1689965948 HPCAZDCGXJCZOQ-GOSISDBHSA-N 429.546 1.194 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689986157 JVVZRUOMYJBFJV-IAGOWNOFSA-N 446.577 1.215 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](F)COC 1690091192 LNHGBHOGPALTTM-WMZOPIPTSA-N 438.500 1.944 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1690101234 SVSIZPBJPMOXFK-HSZRJFAPSA-N 438.532 1.922 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1690104407 VXFFXAQQWTVXGT-IBGZPJMESA-N 445.589 1.689 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690172253 AOJFDXLLFUOCLF-INIZCTEOSA-N 427.596 1.358 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690331197 SGUOJTOTALJWIX-UONOGXRCSA-N 426.905 1.227 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCOCC1 1690588262 ONYQOWRBFLXRDC-SFHVURJKSA-N 435.536 1.820 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 1690661018 SRKOYBYCSIYPDX-AEFFLSMTSA-N 446.577 1.260 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690663429 WIVGTCZPAGJLSN-SFHVURJKSA-N 436.476 1.332 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690671485 XANOVGQBQWDXFF-SFHVURJKSA-N 430.553 1.313 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)C1 1690697329 STOVEKSUTGGFNP-MSOLQXFVSA-N 430.553 1.850 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)CC1 1690867624 BJKKADUABPUBJT-UHFFFAOYSA-N 447.547 1.314 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705569867 HTWBNKSXGFRZMW-GOSISDBHSA-N 435.594 1.506 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncc(CC)s2)CC1 1705634795 JIIRMQWDXJWLIZ-NRFANRHFSA-N 430.578 1.753 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1705648137 OHSHBIXIWGJIDT-SFHVURJKSA-N 441.507 1.944 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1705674293 FBHKGHWYQSINGH-JTDSTZFVSA-N 439.607 1.499 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(OC)C2CC2)CC1 1705768930 DGUUIHSNKUFYKS-XLIONFOSSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccsc2)CC1 1705899891 JWVRIPPGMVTYCY-UHFFFAOYSA-N 425.562 1.970 30 10 IDEE Cc1cnn(C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)c1 1707703677 DHFGCNDZRKXGRB-HXUWFJFHSA-N 448.531 1.752 30 10 IDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)c1 1707707305 DZUIAXJEFAUBIF-UHFFFAOYSA-N 427.534 1.893 30 10 IDEE Cc1csc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)n1 1707730456 BXVITHBWUZOSSF-OCCSQVGLSA-N 439.567 1.020 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1711585968 KHESWAZDSJBIBN-KRWDZBQOSA-N 439.442 1.951 30 10 IDEE C#CCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722341251 VVTHIZJPWACUPO-QFIPXVFZSA-N 427.553 1.792 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1722454239 KKLUWNNXSIGLRO-NRFANRHFSA-N 427.530 1.784 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722457592 HANXALHBCVVVKT-IEBWSBKVSA-N 427.578 1.649 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722495184 WBZMFLAGQOAIJO-KSZLIROESA-N 446.552 1.772 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1722532891 ZNCNULRCVLVIQA-MRXNPFEDSA-N 431.566 1.995 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]1c1nncn1C 1722701887 HHCMFEBIJBJJFI-GOSISDBHSA-N 436.520 1.938 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1722729839 YMJYTKMSPIWQSN-FQEVSTJZSA-N 443.508 1.559 30 10 IDEE CC1(C)CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1724019443 GKBBXCWQLYSLKX-HTXNQAPBSA-N 441.536 1.667 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCc2ccco2)cs1 1725346605 ZTWGTAMFYBYNPA-LJQANCHMSA-N 429.481 1.985 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(C)CN(C)C3=O)CC2)c1C#N 1725866090 ZHAJQULPDFVVBF-JOCHJYFZSA-N 439.568 1.294 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1729185172 UFCZOTWJTSODNR-CQSZACIVSA-N 434.522 1.286 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1729195433 AIYSJODWSGEPCI-UHFFFAOYSA-N 446.533 1.530 30 10 IDEE COCCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1730923088 OJGZEECODBDWDW-INIZCTEOSA-N 425.555 1.363 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740620215 OXBFCEPSACLDMY-GOSISDBHSA-N 429.546 1.344 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1740624946 LKVRDXGRYZUHEK-QGZVFWFLSA-N 431.587 1.786 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740658122 GXXUJBGUTRIOBZ-FQEVSTJZSA-N 444.539 1.917 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(NC(=O)OC(C)(C)C)COC1 1740675986 MEYZHYGLUUOPNU-IRXDYDNUSA-N 449.552 1.755 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740687615 DEUVHLWKGRZMFN-MRXNPFEDSA-N 434.541 1.400 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCc2ccco2)CC1 1740697296 ZGYIXDKOKWGXOU-UHFFFAOYSA-N 436.491 1.673 30 10 IDEE C=C(Br)Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1740748548 HSIXQCQFUJQLTE-KBXCAEBGSA-N 442.358 1.894 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O 1740848085 BPJYVHLPTDPYLZ-HNNXBMFYSA-N 432.612 1.653 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1)C1CC1 1740906132 LKHCBFRXZGDMSC-CYBMUJFWSA-N 433.538 1.582 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1745954373 ULGYMFNQUDZFPO-GOSISDBHSA-N 449.602 1.946 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748638011 HTZKBZQEOBUAEM-SJORKVTESA-N 425.537 1.543 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748811687 KEOPRZOMXMZNCA-SFHVURJKSA-N 428.562 1.453 30 10 IDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC(C)C 1748930713 WEWOORBPWGMYEQ-UHFFFAOYSA-N 425.505 1.934 30 10 IDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749448693 ARVIXQUWOPBGMR-QGZVFWFLSA-N 434.928 1.928 30 10 IDEE COCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749656153 LJJNMOYGQGBNKE-SJLPKXTDSA-N 436.582 1.173 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1749955158 SEECSYLHXFRZAW-QZTJIDSGSA-N 444.536 1.674 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1750068769 FNYDXNFQMLDZLI-OAHLLOKOSA-N 429.525 1.448 30 10 IDEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1750243623 GNXWYFRAKRNBGS-HNAYVOBHSA-N 444.561 1.822 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CCO1 1750387880 DGTJKFRCVGNZJJ-QZTJIDSGSA-N 436.582 1.175 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1760186201 BLKMJMGQPSVDJW-KBPBESRZSA-N 429.340 1.317 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)cccc1OC 1760205625 GJZGKEFQPGTLRX-HNNXBMFYSA-N 432.933 1.963 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1760210940 XLQIOJULGKYQNF-UHFFFAOYSA-N 438.507 1.233 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCOCC2)CC1 1760255357 YMDXQHZEPZROOQ-UHFFFAOYSA-N 449.353 1.332 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2([S@@](C)=O)CC2)CC1 1760269023 VVEBZSARVQVLKF-WJOKGBTCSA-N 440.573 1.525 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760562817 WYJVHDUNTHAWSW-UHFFFAOYSA-N 439.611 1.458 30 10 IDEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1=O 1766134087 FEABSYJNTUZHMO-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1766651784 ORLMTFKZFOTYOC-HRAATJIYSA-N 447.561 1.882 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1767634948 QNEFYIIEQRFSRR-OPAMFIHVSA-N 440.504 1.463 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1768163582 NXGDIIJWQBBFHL-UHFFFAOYSA-N 428.493 1.060 30 10 IDEE CN(CCC(F)(F)F)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1768829979 CLOQXISIMBQYFI-QPQCVSCISA-N 441.414 1.144 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCSC2)C1 1769064171 FVFMXZYUCPNZLV-UTKZUKDTSA-N 428.562 1.737 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1772567083 LCAJWUJRGZQZTC-MRXNPFEDSA-N 431.566 1.913 30 10 IDEE C=CCN1C[C@@H](C(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)CC1=O 1850961223 SZAWYAZBGHYEID-KRWDZBQOSA-N 435.484 1.322 30 10 IDEE C[C@H](CCC#N)N1CCC([C@H]2CC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1853944105 XFRQXNYBNHJMKL-APWZRJJASA-N 438.594 1.437 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)CC1 1855470552 GQYFLBUYJHQMPS-ZWKOTPCHSA-N 436.578 1.191 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2nccc(Cl)c2F)CCN1S(=O)(=O)c1ccccc1C#N 1855718237 OLBMYWNGMWOPOY-NSHDSACASA-N 436.852 1.808 30 10 IDEE CC(C)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855723650 OJCAJQQSXPTOLZ-AEFFLSMTSA-N 432.546 1.569 30 10 IDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1856047152 ANSOYINYZYXDFT-UHFFFAOYSA-N 431.436 1.941 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1856552614 IYUOVOOZWHZOAU-SJLPKXTDSA-N 430.530 1.304 30 10 IDEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C(=O)C2)C1 1856829596 DXYMRJDNNKOCQC-CYBMUJFWSA-N 445.328 1.205 30 10 IDEE C#CCOc1cn(C[C@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870562030 NPVZPVKARCLCIW-KRWDZBQOSA-N 426.473 1.472 30 10 IDEE C=CCN1C[C@@H](C(=O)N(CCN2CCOCC2)Cc2cccc(OC)c2OC)CC1=O 1872964819 BCVMLJGUVUEGHV-IBGZPJMESA-N 431.533 1.399 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@H](CO)C1 2018265549 AZPIKZWUJIYFIY-SFYKDHMMSA-N 428.533 1.889 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2136171978 MSXCKVGTVIWOKR-MELADBBJSA-N 426.267 1.600 30 10 IDEE Cc1nc(C(=O)NCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2243417784 SCYCILMPPQXEGC-UHFFFAOYSA-N 427.332 1.937 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2255648323 BNLTUCUSRZDKMZ-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1NC(=O)OC(C)(C)C 2255656001 UPPJYVHSIUDZMZ-KBPBESRZSA-N 434.346 1.705 30 10 IDEE C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255793669 AFQOQVIRNJSMSE-INIZCTEOSA-N 448.398 1.518 30 10 IDEE Cn1ncc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255820698 AGFWDQIETTUTBS-UHFFFAOYSA-N 434.346 1.754 30 10 IDEE Cc1c(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267000949 FBBGDAWWUYVFGT-ROUUACIJSA-N 436.365 1.888 30 10 IDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267013367 JIPAMHIFIHSBCD-ZSHCYNCHSA-N 446.357 1.657 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267551213 JQENPRANISXDDG-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269045210 INSCNGKOCQBXSN-LJQANCHMSA-N 439.321 1.696 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)n1C 2315631321 SULXXRBUKOMHHY-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C3CCN(C)CC3)C2=O)cc1 96573449 GTURFKNMIBNZAF-QHCPKHFHSA-N 428.533 1.961 30 10 IDEE C=CCOC(=O)NCCNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 169918027 JVWWQZVVZQUWLG-UHFFFAOYSA-N 438.278 1.854 30 10 IDEE C=CCOc1cc(C(=O)NCCCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc2occc12 222485746 URLNLUDDIPWUJO-UHFFFAOYSA-N 437.456 1.634 30 10 IDEE Cc1ccc(Cn2c(NN=Cc3ccc(O)cc3O)nc3c2c(=O)n(C)c(=O)n3C)cc1 254482642 VHHRYWYFHMOPCT-UHFFFAOYSA-N 434.456 1.648 30 10 IDEE CCn1nc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C1CC1 429185652 DYBXEEBZQIQGLX-UHFFFAOYSA-N 428.518 2.190 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)cc2C1=O 441390782 YPVAXDNDHIZMNL-UHFFFAOYSA-N 449.435 1.455 30 10 IDEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)c2)c1 442259094 BGZTZCAYYIFGPJ-FQEVSTJZSA-N 436.468 1.175 30 10 IDEE CNC(=O)CCOC1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443481735 HDIIBOULQVUALM-UHFFFAOYSA-N 430.324 1.627 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 461211048 LAXWSXBSGULCNN-IBGZPJMESA-N 429.498 1.955 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@H]4CC[C@H]3[C@H](CO)C4)nnc12 461434602 FXRPMKVTJCHJPB-DZKIICNBSA-N 425.514 1.694 30 10 IDEE COc1ccc(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1S(N)(=O)=O 461684687 SEHQABYGPMWNEU-UHFFFAOYSA-N 432.502 1.572 30 10 IDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466099829 DMBSLASAHZJPJN-UHFFFAOYSA-N 448.467 1.935 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 472018340 TTYYXLSJDLRVAM-LJQANCHMSA-N 437.525 1.497 30 10 IDEE CCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 478847197 BPFPDDNURCNVKY-INIZCTEOSA-N 441.553 1.921 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c(C#N)cn1CCOC 480124972 OLJFRVZITWDCNE-LBPRGKRZSA-N 426.495 1.270 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 483377161 XSWFZWVDHUJDBO-KRWDZBQOSA-N 427.530 1.956 30 10 IDEE COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489054545 PSSQRLIWFGSPFY-QGZVFWFLSA-N 435.527 1.648 30 10 IDEE Cc1ccc([C@@H](C)[C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 493001748 BCVIQBUDOPTRQS-UTKZUKDTSA-N 427.526 1.864 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506845564 RGTCGSRXTVKAQI-NRFANRHFSA-N 434.544 1.873 30 10 IDEE COc1ccc(C[C@@]2(C)NC(=O)N(CCS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 513784060 KIENCCMENZGQME-OAQYLSRUSA-N 427.482 1.894 30 10 IDEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 516093626 BNJOBYIRMUXPDJ-UHFFFAOYSA-N 430.578 1.487 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3nc(C(F)(F)F)cs3)C2=O)cc1 579100627 OUUDJWCPSFUFIF-LBPRGKRZSA-N 437.403 1.889 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)c(F)c1 586864780 DHGKSWWKXKAFPP-UHFFFAOYSA-N 443.523 1.154 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 604199435 YGRQXIKJCAMHLJ-ILZDJORESA-N 442.560 1.894 30 10 IDEE CCC[C@@H]1O[C@H]2C[C@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 616582566 JBVVDXJXIDYDMF-KCNCTJBESA-N 446.540 1.688 30 10 IDEE in-vitro C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCN)c1 707372970 GNWKILFXBVUJOX-MRXNPFEDSA-N 425.510 1.664 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1 727403018 RHRPGETZPVPUFD-UHFFFAOYSA-N 429.498 1.534 30 10 IDEE COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1N1CCCCC1=O 732418540 HBDQVFPTMWCLQL-VXPUYCOJSA-N 427.461 1.860 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 732649349 SWGTYDWJTLMQJO-OYRHEFFESA-N 426.565 1.334 30 10 IDEE C#CCN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 735040874 XNUXLUZBWFDVIP-OWJWWREXSA-N 446.388 1.986 30 10 IDEE Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737304977 DQNXQLWIXIIWFR-FOCLMDBBSA-N 435.278 1.647 30 10 IDEE CCOC(=O)C1=C(COC(=O)c2cc(C#N)cn2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 751728781 KFYVYZWOBKFLIS-LJQANCHMSA-N 438.440 1.933 30 10 IDEE C[C@H](OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 767480896 GAOQROCHZXBQKF-RYUDHWBXSA-N 440.543 1.961 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2C[C@@H]3CCCN(C(=O)[C@@H](O)c4ccc(C#N)cc4)[C@@H]3C2)cc1 780954920 RLIXYKYSCMMSFH-BJESRGMDSA-N 444.491 1.646 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781652927 BRXHEBLNZNGOAK-UHFFFAOYSA-N 441.553 1.839 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)n1 788819511 HLBIRRAMWKDKRP-UHFFFAOYSA-N 430.530 1.517 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 789185386 RVMAOXYNCDPGAD-AEFFLSMTSA-N 430.509 1.433 30 10 IDEE N#C[C@@H](C(=O)CC1OCCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 793122563 CGWXHXBFKWDGRT-KRWDZBQOSA-N 435.502 1.662 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 794578739 LJBNMZKDTIREPU-MRXNPFEDSA-N 447.520 1.175 30 10 IDEE COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc3cnccc23)c1=O 794581938 RTIHBNGFXWPEJN-SFHVURJKSA-N 449.532 1.603 30 10 IDEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)cc1 811884133 AQXOLTHMTQWJGR-SFHVURJKSA-N 435.937 1.900 30 10 IDEE N#Cc1ccc(N2C[C@@H]3OC(=O)N([C@@H]4CCN(C(=O)c5ccco5)C4)[C@@H]3C2)c([N+](=O)[O-])c1 952848395 FOEBAMDQVACXAB-BJZITVGISA-N 437.412 1.984 30 10 IDEE C=CC[C@]1(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 1116744576 RTVAUFSYMLRDQE-JOCHJYFZSA-N 436.553 1.929 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1125760804 IUCWTLVFJFPVRV-GOSISDBHSA-N 430.505 1.611 30 10 IDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1147383495 BLHRBVRTNBFOPK-GOSISDBHSA-N 431.470 1.693 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)COc1cccc(Br)c1C#N 1167216477 WSMQKISNYRXKDS-IBGZPJMESA-N 438.322 1.432 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1175916641 CGSAJHMELKBPDW-HNNXBMFYSA-N 428.507 1.300 30 10 IDEE C#CC1(F)CN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1176293937 DEHPBGATUATKJU-OAHLLOKOSA-N 430.505 1.728 30 10 IDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 1180244550 OPSYCIBPRAJFAW-FZMZJTMJSA-N 426.267 1.265 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C[C@@H](O)COc1ccc(CC#N)cc1 1196185640 CNOAUPBFJLWMSB-GCJKJVERSA-N 435.521 1.080 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 1251420409 DTAQAPDOIPANNX-ZDUSSCGKSA-N 425.513 1.278 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1286398414 WTFSXVNNHNEZSV-NSHDSACASA-N 446.480 1.485 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NCCC 1286437280 KNZUXSXRGIZSRS-UHFFFAOYSA-N 445.593 1.922 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1286711405 KYJZXZNGRNXGFF-SFHVURJKSA-N 439.582 1.125 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286790259 MAEAFVBBXSJVSI-LJQANCHMSA-N 445.589 1.769 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1286791860 FOGWRBLUQJVWQN-UHFFFAOYSA-N 440.548 1.915 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](COC)C1 1286816746 LHXXDQIEZWCWFS-MRXNPFEDSA-N 436.534 1.406 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1290986808 WWKHGCFIDQDNKW-GOSISDBHSA-N 435.532 1.658 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1296233684 YXRYNBGFDDWMGW-MJGOQNOKSA-N 449.559 1.941 30 10 IDEE Cc1ccc(C(=O)NCC2(N3CCOCC3)CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1299120512 BJVIYDLBBCIMBB-UHFFFAOYSA-N 444.381 1.905 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1300622419 YCXUPVRNJJSJDL-HNNXBMFYSA-N 434.460 1.042 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300700570 SJKRDTIAPRBIMF-ROUUACIJSA-N 432.569 1.793 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300862592 AQVYLUQFCPWNDN-NSHGMRRFSA-N 444.580 1.990 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1300895352 QILMBNNCWKCXEM-OKYOBFRVSA-N 449.552 1.872 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1300990967 YZPAGHMWUPSHDU-GOSISDBHSA-N 449.581 1.281 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301044233 IDLHSVUUZUKGMK-GJZGRUSLSA-N 447.989 1.615 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301223606 ZMEATPRCSPTNFO-FUHWJXTLSA-N 449.581 1.305 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301589163 OGZRFFDIMJZJJB-ZWKOTPCHSA-N 439.582 1.125 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301617777 HKLRLDDFANRKOG-AWEZNQCLSA-N 448.574 1.830 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1301968317 LDNRLYQDXUODPP-QAPCUYQASA-N 429.546 1.897 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1302054805 VBWXTKSLAWNCCJ-GCJKJVERSA-N 434.585 1.979 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C(=O)N3CCCC3)n1CCOCC(F)F)C2 1302989041 GYSBSMVMMYGBDI-UHFFFAOYSA-N 447.446 1.331 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(N(C)C)CCC1 1303380129 UZYLVUCJYBRHTA-UHFFFAOYSA-N 438.536 1.436 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1315842106 YBSYOKAPOTZVQD-GOEBONIOSA-N 438.529 1.918 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCO[C@H]2CCOC2)CCO1 1316539887 HANOPRQZBPGEDQ-DLBZAZTESA-N 431.468 1.921 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)c1 1355669257 OJDKOHGNGLFJFF-JKRPTORDSA-N 430.490 1.365 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC(=O)N(CCOC)C1 1358877796 KQFLSHMJIHMKIO-CVEARBPZSA-N 426.477 1.806 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1358961539 APJIXRLBPCEATI-HOTGVXAUSA-N 439.607 1.389 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C 1358968775 YJLSFMBUYGVWGJ-KSFYIVLOSA-N 441.919 1.474 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1359016589 HAZBJBQLZGKZAL-QGZVFWFLSA-N 447.536 1.484 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccc(OC)cc2)CC1 1359031015 NOMVHWJADHDQPL-DEOSSOPVSA-N 439.560 1.937 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359059822 BHOIDEHGUFETPL-GOSISDBHSA-N 442.593 1.817 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCn2nc(C)nc2C1 1359304578 BNFABBVNAGYKEZ-UHFFFAOYSA-N 438.492 1.088 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359329143 ZXKQNZPJVDLVNB-SFHVURJKSA-N 447.561 1.060 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N2CCCC2)s1 1440749041 QZDIUUHYLSEGTL-AWEZNQCLSA-N 429.589 1.279 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(OCC(F)(F)F)nn2)cc1 1453163992 HXWSOPBAIXRDEV-UHFFFAOYSA-N 428.392 1.521 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 1454454581 BLADJKGEZVYKFW-QGZVFWFLSA-N 439.534 1.857 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2=O)cc1 1467706568 IMIKBHLABANOKG-BBTUJRGHSA-N 447.413 1.586 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1503373687 DEXVKZYSZCZVET-RTBURBONSA-N 435.532 1.648 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507623973 ZWARNIZZFILYIS-VQIMIIECSA-N 435.594 1.677 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1507641562 HMYVFUDGHFBXKE-DENIHFKCSA-N 428.533 1.935 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(C(=O)N(C)C)CCCC1 1507713288 DMVBNHGFPGEHDC-UHFFFAOYSA-N 441.580 1.874 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCNC(=O)C2CC2)CC1 1507728299 XEHQUOQQBFCSST-UHFFFAOYSA-N 436.560 1.755 30 10 IDEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1507928663 LOJZLPFUJNAEKY-CEXWTWQISA-N 443.573 1.852 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1508040277 VPXQJGIBLSRSCI-CEXWTWQISA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1OC)C1CC1 1508070937 GRQJJMGRRHQXJW-UHFFFAOYSA-N 438.532 1.994 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1512617287 MLMGMXVJJYEYLB-YGCDDZCOSA-N 441.536 1.567 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)C(C)C 1516590079 NNINKYIXBYPUHV-UHFFFAOYSA-N 440.552 1.570 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)C[C@H]1O 1517689169 GRWZZNSYAZVHMS-RTBURBONSA-N 448.483 1.629 30 10 IDEE COC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1518724508 ZCDSWEWCFHVBRT-MOPGFXCFSA-N 441.492 1.691 30 10 IDEE COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1=O 1519218857 KMDCSEKHFZOQIU-UHFFFAOYSA-N 438.463 1.816 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1519389334 HJGOSOMYSYTWGB-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE COCCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCS(=O)(=O)C1 1523593874 IJFMGHGNUNHKDA-INIZCTEOSA-N 429.336 1.915 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)c1 1539043638 SKJFRGMAABKWKQ-MRXNPFEDSA-N 446.458 1.567 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1539239797 RABVOQMPEWSJMA-QGZVFWFLSA-N 443.573 1.948 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)CCOC)CC1 1539475736 NHRKLFGEMJFDTH-QFIPXVFZSA-N 428.537 1.037 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539513065 LGBLKPIUCOKDGH-UHFFFAOYSA-N 443.621 1.640 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1539723072 WWSIQKQPQSYYKM-UHFFFAOYSA-N 428.493 1.908 30 10 IDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540029375 QFVNWRHHUMDAKG-KRWDZBQOSA-N 427.465 1.660 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1540900485 XASCTDKYMDGUQD-KRWDZBQOSA-N 429.546 1.665 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H](C)N2CCOCC2)CCOC1 1541724508 SRNGBKWKSAGSAH-PGRDOPGGSA-N 432.569 1.779 30 10 IDEE Cc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)o1 1542327583 IYZVEPNLVJEQFP-UHFFFAOYSA-N 430.490 1.878 30 10 IDEE C=CCOc1ccc(CC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 1542965509 SKYVVXTWEZGZIO-HXUWFJFHSA-N 436.574 1.532 30 10 IDEE CCc1nnc(N(C)C2CCC3(CC2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1546409417 HGNMOOPVXBHIFZ-HNENSFHCSA-N 430.509 1.489 30 10 IDEE CCn1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](C(=O)NC)C2)cn1 1548367769 MJHYRUYXURLQOX-QGZVFWFLSA-N 434.422 1.870 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)CCOC1 1554714194 BPPLGKSQQAEGEW-FQEVSTJZSA-N 433.534 1.493 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1555197386 GEEWBUMHIMJFBM-HKUYNNGSSA-N 440.504 1.107 30 10 IDEE COCCN(Cc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1555552173 YBHFWJIWJXOUCA-HNNXBMFYSA-N 445.501 1.939 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 1556354678 QTWYWVSUSKHPKQ-OAHLLOKOSA-N 445.472 1.533 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1556602575 FOFVGSSKGFAQPM-UHFFFAOYSA-N 438.575 1.487 30 10 IDEE COc1cc(N)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1S(C)(=O)=O 1557298728 IYGLKFPPHXTQOX-UHFFFAOYSA-N 442.541 1.947 30 10 IDEE COCCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1558063662 MZPHYAUEOIAHOG-UHFFFAOYSA-N 437.562 1.940 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC)C(=O)OC 1561828849 BDKBUIBOVOLEPN-WBTMPAOCSA-N 427.475 1.676 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)c([N+](=O)[O-])c1 1564953419 HALTYPRGEOTMTG-UHFFFAOYSA-N 449.514 1.963 30 10 IDEE CN1C(=O)NC2(CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)C1=O 1565889054 BDUATVATUCSGSK-DBWCEAHUSA-N 445.520 1.316 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1569787500 CQXGLJBSNKJUAW-VZEFYGNVSA-N 434.518 1.207 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1587766455 VBTOUNYZQKCZBN-OAHLLOKOSA-N 433.500 1.668 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588040212 JOAJQWUPOZYCFR-QGZVFWFLSA-N 445.545 1.059 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 1588199248 KRVZVZXTQIQBSG-UHFFFAOYSA-N 442.328 1.405 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1588581264 MCGKUQDFDKCXNM-NYVOZVTQSA-N 434.537 1.354 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cccc2Cl)CC1 1588865213 QOJVTTPIUXWIEZ-UHFFFAOYSA-N 430.915 1.997 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](OC)C(F)(F)F)CC1 1588865623 YOGPXCZRUSAUHW-KRWDZBQOSA-N 439.486 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588907698 DHFKYZJMZWNRIQ-OSPHWJPCSA-N 448.527 1.322 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1589089323 QIHJJPOLCDBYSI-UHFFFAOYSA-N 433.607 1.852 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C)C1CC1 1595021357 YAEWRDLPEUSGOT-CYBMUJFWSA-N 428.559 1.568 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595477626 WUJSBBFOSOBEEO-JQFCIGGWSA-N 445.451 1.974 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C1 1595730868 ZMSKSHNLSRGTMF-IAGOWNOFSA-N 437.522 1.034 30 10 IDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1596315431 USOJJWOWILATQO-GOSISDBHSA-N 435.525 1.326 30 10 IDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1607931804 DQHJAYDQUPXFLI-UHFFFAOYSA-N 425.537 1.452 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)C1 1611768058 YTUNLHUJWCYCQB-IBGZPJMESA-N 435.435 1.517 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CCOC1 1616261188 HBLVVNCTRQUYGT-PSHVLCQKSA-N 448.568 1.158 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1617574973 BKDRJZKDJDHXCP-UHFFFAOYSA-N 433.520 1.688 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1619539041 FMGLMPGUNACWIL-QZTJIDSGSA-N 433.534 1.349 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCOCCCO)CC2)c(F)c1 1620351075 QZYRQAHJZSGILA-HXUWFJFHSA-N 444.511 1.866 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 1634408525 IXTACRJWAMNFPK-FUHWJXTLSA-N 435.546 1.707 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1634790127 RVQJFNXOAXWPTN-MRXNPFEDSA-N 426.853 1.769 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1 1635206372 VOCZXCQHFKSLRA-CALCHBBNSA-N 433.530 1.822 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(CCOC)c(=O)nc1O 1636522796 WYRVERAZWHFHMB-CYBMUJFWSA-N 430.889 1.247 30 10 IDEE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1 1641520590 BUBQGICRDLASDJ-INIZCTEOSA-N 434.470 1.963 30 10 IDEE C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 1642915645 GUJYLQLJBRHCOQ-CQSZACIVSA-N 435.527 1.160 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)[C@H]3COCC[C@@H]32)n(-c2ccccc2)c1C 1646095290 ABNKISRNWPJPHT-PMACEKPBSA-N 442.541 1.792 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)C2)c(=O)nc1O 1648028930 RVYDUBZKBNLRBE-UHFFFAOYSA-N 432.209 1.901 30 10 IDEE C#CCC1(O)CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1654620566 ZSTJTCDBHCIIAI-AWEZNQCLSA-N 427.954 1.768 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C(=O)OC(C)(C)C)[C@H](C4CC4)C3)CC2)o1 1654736363 RROLXLTUEXDHEE-ZWKOTPCHSA-N 443.548 1.803 30 10 IDEE CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C1 1662603084 APUXYDFNENEMCT-QGZVFWFLSA-N 434.518 1.682 30 10 IDEE CC(C)(C)OC(=O)N1CCCCC[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1676600751 DOHPNVAFWLZPJV-FTRWYGJKSA-N 440.566 1.746 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1684083407 VBEHOJLWHBPGGG-OAHLLOKOSA-N 442.944 1.593 30 10 IDEE C=CCn1cc(CNC(=O)N[C@@H](CO)c2ccccc2I)nn1 1686848750 HECAZNACSOMBLN-AWEZNQCLSA-N 427.246 1.602 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C1CC1 1689847055 RBSRZLSZDOASNM-CQSZACIVSA-N 429.550 1.222 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1689848664 ZIVSDROZKXZUHU-OSPHWJPCSA-N 449.559 1.590 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1690032724 HULZUFPRBJAEPD-HNNXBMFYSA-N 433.509 1.547 30 10 IDEE C=C(Br)Cn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1690234746 MMFAWBHFWVIXRZ-RDTXWAMCSA-N 442.358 1.942 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1690465149 SYXPHHNSNTWHBI-PXNSSMCTSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC[C@H](C2CCC2)C1 1690674938 KZKJFEGYBFCBFY-LJQANCHMSA-N 427.553 1.695 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1690720756 RVWMYUAPPNPTAH-GOSISDBHSA-N 431.518 1.269 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1696046155 GWFVBRUUNYAVIE-XMSQKQJNSA-N 432.569 1.781 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCCO1 1696501239 BBHQMDBMDAHGAQ-GOSISDBHSA-N 432.550 1.761 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)cc1OC 1697361932 WNUZQGFWKOSDIQ-OAQYLSRUSA-N 432.500 1.982 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1697452535 APPAKHKVOQOLTL-MGPUTAFESA-N 449.508 1.688 30 10 IDEE COc1cccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1697504079 FIJFFFYMHZAEIL-UXHICEINSA-N 436.520 1.719 30 10 IDEE COc1ccccc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1697592674 AVYPPZDMLVWNRJ-HNNXBMFYSA-N 432.550 1.880 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccc2F)nnc1N1CCCOCC1 1698520388 JJWNHFOEOVXBBV-QZQOTICOSA-N 440.479 1.761 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1705559200 UEXWPARVHVNWFC-INIZCTEOSA-N 437.566 1.002 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1705563077 QLAMXYHVOLMVDS-OXQOHEQNSA-N 434.518 1.279 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705567220 UVSKHJONZQPENS-VAMGGRTRSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1705599489 ZWBHHUFISJBJMS-INIZCTEOSA-N 429.550 1.038 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(OC)CCOC2)CC1 1705643052 QXPUPXLZBLJNLT-JOCHJYFZSA-N 429.496 1.557 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnn(C)c2)CC1 1705649162 MUMPMQHUEUHLLP-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1705768272 ZXIYUFILAVABLF-QGZVFWFLSA-N 430.534 1.342 30 10 IDEE C=CC[C@H](Cn1c(C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1705795510 LRDHEXBQKIFEAU-JOCHJYFZSA-N 438.576 1.927 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C(C)=O)CC1 1705838834 DHOZUSQXAFTMEC-UHFFFAOYSA-N 428.537 1.749 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1705885591 XUIRUQUPNYQDDJ-QFBILLFUSA-N 448.545 1.864 30 10 IDEE CN(CC1CCCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1711141169 FPPLWVOXRQPGIU-GOSISDBHSA-N 448.549 1.750 30 10 IDEE COCCO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712589718 XNXWEMPPJVXICB-RDJZCZTQSA-N 449.533 1.325 30 10 IDEE CS(=O)(=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1712685510 JENFMDJLIGQJHL-ZDUSSCGKSA-N 437.472 1.453 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSC(F)(F)F)CC1 1722440430 GPGAZVCMUIUPAT-UHFFFAOYSA-N 446.499 1.635 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722556343 QHLSLWSLHUPUFV-JYJNAYRXSA-N 444.989 1.036 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722683461 PMIUZYYFGGHDDQ-HXUWFJFHSA-N 430.534 1.240 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1722783814 KRINFAAXBCSSAP-JDAKFOBDSA-N 449.515 1.529 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCC(F)(F)F)CCOC1 1728818909 TVMHCAPEZNVEQP-XJKSGUPXSA-N 435.472 1.954 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1740549071 DJLZNPMJVCTVCA-ICSRJNTNSA-N 445.589 1.928 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1740591435 PGGNHEDQHDBRHV-INIZCTEOSA-N 435.575 1.649 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740623030 NBFUAMBBDNXJHQ-SFHVURJKSA-N 444.561 1.569 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740875714 IHWJVHOIEIJYQJ-KRWDZBQOSA-N 436.582 1.484 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1740887779 CPKIHFCQHGPCSF-OAHLLOKOSA-N 432.550 1.529 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740964924 BBVLMJQWOWKMOE-WFXMLNOXSA-N 446.596 1.615 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1740965831 MXEVDKSKCHOEOT-GOSISDBHSA-N 444.511 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOCC1 1740988384 COUKXQHVPPCKIL-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1740989037 YCRYBPVRZYWPLE-UHFFFAOYSA-N 437.953 1.868 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCNc1ccccn1 1741923072 YVSSJONVWXQKLU-INIZCTEOSA-N 446.581 1.916 30 10 IDEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1742877788 XKNPMPAJFXHVTN-UHFFFAOYSA-N 443.533 1.997 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1746280466 WQDBDQGPJNSOCO-SFHVURJKSA-N 432.550 1.761 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(CCN(C)C)CC1 1748647721 SHSBUGPWVAANJV-CVDCTZTESA-N 432.613 1.662 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1748674792 XZKZGGBBLKVWGL-RDJZCZTQSA-N 429.525 1.826 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748686630 SROZIGIJVLQKPU-KRWDZBQOSA-N 432.546 1.563 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748809786 WFDPLFGHEVBPCV-FQEVSTJZSA-N 438.557 1.916 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1748846147 DPQMHLFWTHVCMN-SLFFLAALSA-N 431.606 1.621 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1748953937 XSNFRNHMKCHEAE-UHFFFAOYSA-N 427.896 1.838 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C3CC3)CCC2)CC1 1749000871 CBSUUKXOUFUGKL-UHFFFAOYSA-N 426.565 1.962 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1749054670 WZHHSBJMPRELMK-AUUYWEPGSA-N 434.570 1.275 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1749268791 HDJZYCAIRUBOKT-MRXNPFEDSA-N 441.941 1.706 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1749513040 QOAPFFPFXRMRDE-KRWDZBQOSA-N 433.534 1.351 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1)C1CC1 1749520123 ZPZGBIKSPLPXGG-KRWDZBQOSA-N 435.554 1.031 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749671878 MGEJFFCKZOEAIG-HOTGVXAUSA-N 433.415 1.563 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN(CC)S(C)(=O)=O 1760113655 BACSXXFFVHWXJK-CQSZACIVSA-N 436.538 1.135 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760144168 GOXVJMVLUZEODA-UHFFFAOYSA-N 433.472 1.894 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1760184068 UFVNXOVUOQTMGL-MRXNPFEDSA-N 447.561 1.636 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760198171 ZDMGHCIVBWMAMF-UHFFFAOYSA-N 430.468 1.183 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1CCCO 1760199530 YHYHCAAWTNCLLJ-HXUWFJFHSA-N 435.528 1.636 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCOCCN(C)C)CC1 1760258790 SCZOFTZPEKCRMO-UHFFFAOYSA-N 433.560 1.827 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C(C)=O)CC1 1760299256 OOBDDSBFUSBNHR-SXWKCWPCSA-N 444.580 1.158 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760326976 AORAUFCOPGZNMZ-ICSRJNTNSA-N 448.568 1.370 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760449522 MNBBAZAAFVNSFC-KRWDZBQOSA-N 433.557 1.406 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760493356 BSDNDIMYZYOWDF-INIZCTEOSA-N 441.536 1.662 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCCN(C)C 1761883602 ANQUWRKAMNZSRV-ROUUACIJSA-N 441.584 1.747 30 10 IDEE CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCC1 1767193226 AJXUNXSVBMMHAL-MRXNPFEDSA-N 434.566 1.227 30 10 IDEE CCOCc1nnc(N2CC[C@@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767826638 XKLRDMVWSXSTJJ-MVZUJROASA-N 426.477 1.928 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1768931506 FTVKPRJSUQZNIE-GOSISDBHSA-N 439.545 1.974 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1(C)C 1770657657 IEARVNBKPAINNU-QGZVFWFLSA-N 448.549 1.139 30 10 IDEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1771040103 PMFUZOAHOJGLTD-QGZVFWFLSA-N 428.493 1.371 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1772566976 VEYYFSWDDGSGLP-ZIAGYGMSSA-N 444.458 1.327 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1772880942 HWNBKILGORODPS-HNNXBMFYSA-N 435.492 1.753 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 1853316976 TZBLWXICMAPENL-IFMALSPDSA-N 436.464 1.963 30 10 IDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@H]1C 1854311684 KLFXYAQNSOREOD-CVEARBPZSA-N 425.576 1.784 30 10 IDEE CN(C[C@H]1CC(=O)N(C(=O)CSC2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1856262317 IQNVUKXBTHSCEE-OAHLLOKOSA-N 428.562 1.520 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(Oc4ccsn4)CC3)CC2=O)CC1=O 1856796739 VLGHOQMPBJOKSS-HZPDHXFCSA-N 432.546 1.396 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1858336021 RLINZEJMFMERFF-INIZCTEOSA-N 435.527 1.617 30 10 IDEE C=CCNC(=O)[C@](C)(CC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593781 MIPUQSNZHHOELI-HXOBKFHXSA-N 431.533 1.682 30 10 IDEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN(CCO)CCO)cc1=O 1870563565 GRUMPRARYGIHAI-QHCPKHFHSA-N 439.556 1.484 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874338759 XJVYWNSITQSCNH-GNZXAGPDSA-N 431.478 1.370 30 10 IDEE C=CCNC(=O)[C@@H](C)S(=O)(=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882498210 ULMGOOIXARVOPG-HIFRSBDPSA-N 426.491 1.250 30 10 IDEE C[C@@H](c1cc(C#CCO)cs1)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130018072 FTZAZDAEWZVWIA-AWEZNQCLSA-N 432.523 1.711 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2247834603 YTQFEHVTQMPCEW-UHFFFAOYSA-N 429.351 1.419 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2248406018 YIGJVYPKKLGTPD-ZDUSSCGKSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CC(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(N)=O)C1 2254743356 GJJKVELRSCRSSD-UHFFFAOYSA-N 437.277 1.374 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627853 ZFWUUQILNXCHRJ-UKRRQHHQSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2255629667 ZLPLEUDTPDKSML-AEGPPILISA-N 432.330 1.837 30 10 IDEE COc1cc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2255824758 OAEONKWAEYXNCC-UHFFFAOYSA-N 428.216 1.497 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1(CO)CCC1 2255876851 RAIUUIGZTINKHQ-UHFFFAOYSA-N 426.326 1.672 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2255881508 YGRDPQXOPZWLBD-UHFFFAOYSA-N 435.334 1.197 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266994930 BDDSOTKORAFBPX-STQMWFEESA-N 441.259 1.910 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2267177191 KMCAGPFNPVWXNW-HNNXBMFYSA-N 446.357 1.991 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2267278234 ZWJYBXIGQSGAFE-GOEBONIOSA-N 449.357 1.974 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268654310 XQTOUTBVTGMKOD-INIZCTEOSA-N 447.341 1.371 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268764450 BABHBQAPMLRVHV-GVDBMIGSSA-N 448.325 1.265 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@](C#N)(C2CC2)C1)NC(=O)OCc1ccccc1 2286045207 MVRXRBCGXOVXHF-FXAWDEMLSA-N 435.502 1.410 30 10 IDEE N#Cc1cccc2c1CN(S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2286057592 PQWDUHFTHWLLOK-GOSISDBHSA-N 429.454 1.583 30 10 IDEE CC[C@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(OC)c(OC)c1 16893843 WWBKIYNAZMUJRM-MRXNPFEDSA-N 449.489 1.080 30 10 IDEE CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 22060368 JBVVDXJXIDYDMF-NFIPEOECSA-N 446.540 1.688 30 10 IDEE biogenic,in-vitro C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)cc2C1=O 29884136 BKMOOBDEZGEYRT-UHFFFAOYSA-N 448.479 1.992 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cccc(Cl)c1 72444332 VYMGTMLUQHMNSX-GJZGRUSLSA-N 441.875 1.990 30 10 IDEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)s1 103221029 GJXKWWHMIWMHCJ-HMNTXPNISA-N 428.514 1.909 30 10 IDEE N#Cc1ccccc1NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 170326243 NMPVHPKSRQWLCQ-UHFFFAOYSA-N 448.888 1.810 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 410071737 JJASWJDMFWIIBD-NRFANRHFSA-N 443.569 1.860 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n(C)n1 436283345 URUAWTJGUWFCNH-HKUYNNGSSA-N 449.515 1.590 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@]4(CCOC4)C3)nnc12 470563443 BRZWDMCOTPUSKM-OAQYLSRUSA-N 441.513 1.340 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 478484038 BJRGAFPIOMQGSU-HNNXBMFYSA-N 437.518 1.043 30 10 IDEE Cc1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCC(=O)O 486051372 HJIDAKYQIAPYOI-GOSISDBHSA-N 443.481 1.410 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 506480496 LTTOHRFWHIGNBG-UHFFFAOYSA-N 440.529 1.098 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 506943208 FOYXAQFPULUALZ-UHFFFAOYSA-N 428.430 1.062 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 514439916 GYXSVTLNPKGJGS-PMACEKPBSA-N 437.592 1.919 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3noc(C)n3)nnc12 537548043 DOMNXNCIRJKCLT-UHFFFAOYSA-N 425.474 1.672 30 10 IDEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)c1 546169525 YTHATAXKRDTGPC-IBGZPJMESA-N 432.484 1.816 30 10 IDEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 571727000 OYGQPRPSNASLFT-UHFFFAOYSA-N 438.303 1.794 30 10 IDEE O=C(O)/C=C/C(=O)[C@@H]1CNCC[C@H]1NC(=O)c1ccc(I)cc1 585833004 ZEZHPTYOGSSQMY-FBVTZJDUSA-N 428.226 1.209 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 603557453 GQVAMHOJHOMDNT-CQSZACIVSA-N 435.527 1.724 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 679526612 NRWLQQAEZLRRMY-UHFFFAOYSA-N 439.534 1.517 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 729335170 IYDYPAIKCIIBGN-RTBURBONSA-N 432.542 1.343 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 731070708 KBZDQNMQNNABHU-VFNNOXKTSA-N 442.497 1.673 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)nnc12 732665363 ZDDVJJIISRSTDY-INIZCTEOSA-N 449.540 1.521 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2nn(CN3CCN(C4CC4)[C@@H](C#N)C3)c(=S)n2c1 732671897 AYFUPWCQKSOHFQ-INIZCTEOSA-N 449.606 1.525 30 10 IDEE CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732705708 DWLZWLKVBCGUNN-SFHVURJKSA-N 444.967 1.619 30 10 IDEE C#CCN(C(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1)[C@H]1CCS(=O)(=O)C1 741674514 FTJONENMBLWJPH-FQEVSTJZSA-N 446.569 1.957 30 10 IDEE N#Cc1ccc(OCCNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)cc1 746304757 KBNYAFLIOSIXRH-UHFFFAOYSA-N 430.417 1.863 30 10 IDEE C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 751727938 BWEBQKGKRSBNGM-AWEZNQCLSA-N 446.485 1.102 30 10 IDEE C=CC[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 756671726 JKCPGZVHPXIUKG-IAGOWNOFSA-N 430.530 1.776 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c1=O 758059784 OVLWZPQRUKJXPO-FQEVSTJZSA-N 448.544 1.973 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)n1 806543845 KSFUKQZEWMYBQW-UHFFFAOYSA-N 437.497 1.586 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 812186772 AMYVTWWRVNOUKV-VQTJNVASSA-N 445.589 1.612 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc(C#N)cc(N(C)C)c1 814590914 SACPMRMRNRCRDQ-UHFFFAOYSA-N 429.521 1.776 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ncc(Br)cn1)c1cc[nH]n1 817272686 NBHNLVKKKLPKHA-VIFPVBQESA-N 425.243 1.123 30 10 IDEE C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 928713221 HNKJLNMAZKHSIX-ZDUSSCGKSA-N 426.408 1.148 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 1126925585 RBLWKUOEVNQNGO-UHFFFAOYSA-N 427.339 1.997 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(CC(=O)OCC)CCOCC2)ccc1F 1131476822 JQTKVHMSPVPWOW-UHFFFAOYSA-N 428.482 1.522 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CC4(CCOCC4)CO3)C2=O)cc1 1132390935 UYJYAAVEXXSQBC-ROUUACIJSA-N 426.473 1.465 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(F)ccc3I)C[C@H]1CS(=O)(=O)C2 1134428785 BCQCIVVUPQLBNK-LKFCYVNXSA-N 434.230 1.441 30 10 IDEE CN1CCN(c2cc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)ccn2)CC1 1136248636 VRFYMSHKXIJSJX-UHFFFAOYSA-N 431.493 1.200 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)C2)C1 1138059663 RVKCAKDMBIBQMU-QNBXZPKWSA-N 425.551 1.809 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)OC1(C)C 1153815316 UXFIVHBGRAFPEM-KRWDZBQOSA-N 435.374 1.252 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H]12 1279678770 WPCVSBCVKCAXIN-JJXSEGSLSA-N 429.539 1.234 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1286299348 VFIWUFRPAMDLEK-SFHVURJKSA-N 440.621 1.959 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(C)s1 1286401989 UUTOTWWFLSQPDY-UHFFFAOYSA-N 426.527 1.630 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO2)CC1 1286488929 YMFCEDSPYGYSQZ-CVDCTZTESA-N 445.564 1.464 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1286493316 NNKIGEWEPYSEPI-IEBWSBKVSA-N 428.581 1.621 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1286786251 AEQQXLVWUOVVSG-UHFFFAOYSA-N 442.474 1.586 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)COCCO2)C1 1286798026 GHDBRXFPPTWBJJ-HRAATJIYSA-N 428.493 1.512 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1Cc1ccc(C#N)o1 1288820619 JUKMVSKSJLPUDW-KKUMJFAQSA-N 434.522 1.264 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1290465216 HWOVMMNBQKAKIX-GOSISDBHSA-N 441.438 1.159 30 10 IDEE C[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291093056 SKDBMOVFAZLPPI-MMYRVIJDSA-N 427.509 1.382 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC(C)(C)O1 1291225842 XQSQMCHCHYJOGW-INIZCTEOSA-N 447.561 1.882 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(OC)CC1 1299300072 ATTMLQMVGWPZEH-HXUWFJFHSA-N 432.550 1.761 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCS(=O)(=O)NC)c1 1300332698 LGANPGRVYHGIMD-UHFFFAOYSA-N 430.534 1.151 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1300631110 LIZKSBHXLBPVED-SFHVURJKSA-N 440.614 1.189 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1300982485 KNULFGGXRFTYJJ-UHFFFAOYSA-N 430.528 1.935 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1300988557 GFCYYQXOARXQSW-HNNXBMFYSA-N 425.580 1.908 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCC2)CC1 1301126510 VSORFXHSYSZVEO-QGZVFWFLSA-N 439.582 1.319 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1301199471 LQWFJMPJRFJEFG-HSZRJFAPSA-N 436.516 1.990 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1301263794 NIMRPIWYAXWPBP-AEFFLSMTSA-N 437.504 1.668 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1301406937 ZDJOVRLIAWISNG-ROUUACIJSA-N 439.582 1.749 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1301951647 CRBFANLOHBBEAD-HUUCEWRRSA-N 448.549 1.694 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(C)(=O)=O)C1 1303933011 FDONBWMSHWPHJA-HXUWFJFHSA-N 441.517 1.769 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)c([N+](=O)[O-])c1 1312952201 GHFXFCIGYFCPSZ-UHFFFAOYSA-N 435.506 1.914 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H]2CCOC2)CCN1C1CC1 1332159044 AZCOVCTUGTWIOO-LPHOPBHVSA-N 436.516 1.929 30 10 IDEE CS(=O)(=O)c1ccc(OCCCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1357282617 KFEQGFXAAWPSJG-UHFFFAOYSA-N 433.490 1.319 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(CC)CC)nc2)CC1 1359034511 TWEFSIHQHJODJV-UHFFFAOYSA-N 433.564 1.723 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1359036858 LRSXBWMMRQJJST-QFIPXVFZSA-N 437.592 1.376 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359060096 KBOUFGUMUGGJTF-HNNXBMFYSA-N 446.602 1.693 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1359065450 QQQAJYZAUWXYCE-FGZHOGPDSA-N 427.505 1.832 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1359126072 DTZZMZKQOGBILK-INIZCTEOSA-N 437.508 1.988 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1359241549 UPYQUUYKEIHTQW-MRXNPFEDSA-N 437.541 1.750 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1 1359260130 UDKIBEUGRLAHBF-QFIPXVFZSA-N 429.496 1.997 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359303088 DAWQXUCVJOBDCR-UHFFFAOYSA-N 430.538 1.239 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1360034747 HISMAQPHWPFRLF-SFTDATJTSA-N 435.532 1.902 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)COCCO1 1360837246 NZJVLEUUKJMVAY-YLJYHZDGSA-N 431.518 1.246 30 10 IDEE C#CCN1CCCN(C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 1444335263 LECQOHMKLIQWFJ-UHFFFAOYSA-N 426.521 1.578 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)c1 1456529594 MDRIECQGSYMWPI-UHFFFAOYSA-N 426.454 1.373 30 10 IDEE Cn1cc(C(=O)NCCNc2ncccc2C#N)c(CN2C(=O)c3ccccc3C2=O)n1 1464509552 RXVVXHCDBVQMOR-UHFFFAOYSA-N 429.440 1.325 30 10 IDEE CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)CCn1cc(C#N)c(O)nc1=O 1465723667 GJUJCAQHQKGLBX-CYBMUJFWSA-N 440.378 1.128 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)cc1 1467807121 AUFSIFJSSXLULD-IQMFZBJNSA-N 447.451 1.418 30 10 IDEE CC(C)(CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1468472347 AYASOLJLVYOLQU-UHFFFAOYSA-N 434.294 1.860 30 10 IDEE C#C[C@H]1CCCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1468549420 RASJLSAMFMCRLR-NRFANRHFSA-N 426.561 1.827 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1 1470155570 POABRYWEYCRMSG-IBGZPJMESA-N 447.944 1.887 30 10 IDEE C=CCn1cc(CNC(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)nn1 1470585046 ZWESQLMOBWAPGB-QGZVFWFLSA-N 449.556 1.559 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H](O)c2ccc(C#N)cc2)C1 1471777368 MIDQZWWAXMQYLP-IRXDYDNUSA-N 437.518 1.132 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1473471390 DQJLXBSQWQYXKF-UHFFFAOYSA-N 447.970 1.130 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3C)c2CC)CC1 1476529789 FFAVPOVCHSECGW-UHFFFAOYSA-N 430.534 1.360 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2)cc1 1477919222 AURQFTDYMSDUSS-HXUWFJFHSA-N 434.562 1.936 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)C1 1502468903 HULACSGJWFXBPT-MRXNPFEDSA-N 443.558 1.840 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c1 1503740358 HGXZAMVQRJFFRJ-KGLIPLIRSA-N 433.538 1.035 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@@H]1C 1503890539 FURPMNCDDQHNMI-QFBILLFUSA-N 440.504 1.899 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)C(C)C 1504973262 IXDMPKKGGDTSTN-MRXNPFEDSA-N 443.552 1.877 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1507515418 HFPHORJBTUCYBZ-SJORKVTESA-N 441.561 1.639 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1507670816 CHVTWWXBMXDKNH-GOSISDBHSA-N 435.594 1.756 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1507758624 QWURUXDGNPDCAJ-NQIIRXRSSA-N 430.578 1.473 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1507818750 NSDWZVCGJFHHEV-FVRICEFQSA-N 446.596 1.902 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1507847672 PLDFOUZOKYSTRH-OAHLLOKOSA-N 432.550 1.529 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1507984568 YEXYQCZOIJNCAM-INIZCTEOSA-N 434.566 1.606 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1508081258 WEQUASMQMVNJDA-UHFFFAOYSA-N 435.488 1.243 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1508136449 GQTJWLZUKLRIBF-UHFFFAOYSA-N 448.593 1.957 30 10 IDEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1508157397 FDAVGMKTXFQBMQ-GOSISDBHSA-N 447.561 1.833 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCS(C)(=O)=O 1509185653 LSZNRQOTYQVHSK-UHFFFAOYSA-N 448.549 1.073 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C[C@H](C)O1 1518912455 AXUMJUGLNMUFKJ-QFBILLFUSA-N 426.521 1.972 30 10 IDEE C[C@@H](C(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1)n1cnc(C#N)n1 1538035086 BLADAEASMFGUOH-RYQLBKOJSA-N 443.552 1.785 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCOC2)c1 1539043348 PAJWUQLEOGNMFC-HKUYNNGSSA-N 436.516 1.712 30 10 IDEE C#CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1539142510 RIBGOAMEOMUKQV-GOSISDBHSA-N 447.565 1.765 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539215808 JKKCOILOXJMPNR-GHTZIAJQSA-N 432.521 1.829 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1539219273 BQGRLLJKSAJKTE-HZPDHXFCSA-N 428.505 1.987 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1539323770 LDEIWFKGUVBBHQ-MOPGFXCFSA-N 431.606 1.764 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1539413980 PSTSNNMZPBCZNU-HNNXBMFYSA-N 441.479 1.146 30 10 IDEE C=C(Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 1539767097 JRTMEVRBUPLZLY-UHFFFAOYSA-N 438.532 1.061 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnc(C)s2)CC1 1539848186 MSJWRMVTWOVBJJ-INIZCTEOSA-N 438.579 1.581 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC2CC2)CC1 1540005815 OUNXCBYPESVMIX-SFHVURJKSA-N 438.598 1.109 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1540170751 PXLRUMNBWXARIB-ULQDDVLXSA-N 427.546 1.928 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1540879831 PIMSGDTWYHIVQV-QRWLVFNGSA-N 448.524 1.943 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2)C1 1540883487 AOSLUIBWVFUNGF-BZUAXINKSA-N 429.612 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(OC)cc2C1 1540902127 BCRYAFLFVWKJNP-GOSISDBHSA-N 445.545 1.401 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1540905699 ZABMZSOEMHEHKI-GOSISDBHSA-N 445.589 1.835 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CCO1 1541073832 DKSWAUMPTNBGPF-HXUWFJFHSA-N 434.504 1.363 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1541926335 QMSGCDUIBPTZTN-KBXCAEBGSA-N 448.549 1.797 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCC(=O)N(C)C)cs1 1542924985 ZMGLGAMQZIVBOR-SFHVURJKSA-N 442.593 1.679 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OCC 1544345198 QPEMSOAVCGHHNY-AWEZNQCLSA-N 436.939 1.907 30 10 IDEE CCc1nnc(N2CC[C@H](CN3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546474013 QWCTVIPWRIZRKF-SGRLSNSRSA-N 427.553 1.679 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1554420400 FQVNRTIYDFBSIZ-GOSISDBHSA-N 447.499 1.689 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 1557483485 DGSWXMXTVDRJNX-UHFFFAOYSA-N 430.964 1.962 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)OC)cc1 1558287381 QGPNHTOBOFUQNL-LJQANCHMSA-N 440.477 1.858 30 10 IDEE N#CC[C@@H](NC(=O)CNC(=O)c1ccccc1I)C(F)(F)F 1558443182 ULUKSBCHRNSVIH-SNVBAGLBSA-N 425.148 1.982 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CN(C(=O)OCC)C[C@@H]3CO)ccc2c1=O 1558732932 WCKVZKYZKRSTML-CZUORRHYSA-N 432.502 1.050 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1564417413 VMGKMODFLJQFLG-JKSUJKDBSA-N 440.566 1.478 30 10 IDEE CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1583847630 BSECNNPMLUCEKT-IBGZPJMESA-N 430.534 1.171 30 10 IDEE COC(=O)c1cn([C@@H]2CCN(C(=O)COc3cccc(Br)c3C#N)C2)nn1 1584395005 FNPLVDAEVYOFFL-LLVKDONJSA-N 434.250 1.551 30 10 IDEE C=CC[C@H]1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1586894710 RYGPCZDXPOFQKW-HNNXBMFYSA-N 431.514 2.000 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588050896 XIXKKMAFPCIFSA-IBGZPJMESA-N 445.593 1.181 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC(C)C)N(C)C 1588110101 VDIHCULMEDXDCX-NRFANRHFSA-N 431.548 1.970 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)NC)c1 1588263150 QNWMXMOLBXYKPE-UHFFFAOYSA-N 431.500 1.987 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1588575174 ZJLXUVIRSIOGGF-VGSWGCGISA-N 431.512 1.710 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1588637712 JUWVHXYVYMOPPG-CRAIPNDOSA-N 439.516 1.696 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1-n1cccn1 1588673472 PHIXDSPZUPHYOZ-UHFFFAOYSA-N 434.504 1.116 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1589559471 RTFIVAQJUBCKCN-GCJKJVERSA-N 440.548 1.716 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1594004281 ZSZBRFYIUFTVCZ-BBWFWOEESA-N 439.944 1.582 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1594807299 KSZJHIYIWGMVEM-CABCVRRESA-N 430.475 1.895 30 10 IDEE C=CCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595452796 BXIUYWBINWAGNG-JOCHJYFZSA-N 427.505 1.784 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1595467482 VZYQNULOEPZXSJ-GOSISDBHSA-N 446.474 1.248 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1595516850 KTUNLSIFHLRQKS-AWEZNQCLSA-N 426.477 1.068 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)cc1 1619210692 GPSNCJJRQZPVKN-HXUWFJFHSA-N 426.521 1.795 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)C1 1620346039 QDNLUFXFAVUBEB-YWZLYKJASA-N 429.456 1.563 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)s1 1622096509 QFAFJPZFDGASSJ-SJORKVTESA-N 427.592 1.515 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)n1 1623369157 BESFVJAFKMOAMK-SFHVURJKSA-N 448.549 1.370 30 10 IDEE CCS(=O)(=O)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1626285676 TYMUTFCEYMDAPW-GICLCMKGSA-N 444.579 1.546 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc(OC)cc2Br)CC1 1628147140 XPBDMDYDXLOZIP-UHFFFAOYSA-N 436.350 1.674 30 10 IDEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@@H]2CCN(O)C2=O)C[C@@H](C)O1 1628370032 IRNHPRDTHZBUQH-DVOMOZLQSA-N 431.518 1.442 30 10 IDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1629283730 NZZXIXDMRXAODP-WDEREUQCSA-N 436.383 1.937 30 10 IDEE N#Cc1cccc(C2(NC(=O)CCOc3ccc(S(N)(=O)=O)cc3)CCOCC2)c1 1629648042 YMWCMDQISOBMDV-UHFFFAOYSA-N 429.498 1.797 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1632698481 XJIGSWVHTLYZTE-FQEVSTJZSA-N 444.557 1.929 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1633506719 HLIUJFACUAVWJF-GASCZTMLSA-N 436.534 1.693 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)C2)cc1 1634100136 RHCSBYSNRVIOHV-GOSISDBHSA-N 431.514 1.831 30 10 IDEE C=CCN(C)CCN(CC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1634647043 VOBRHZZEKHJKPJ-SQNIBIBYSA-N 443.610 1.623 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)C1=O 1635568319 OWQKSBMCZBQDQX-HXUWFJFHSA-N 449.533 1.615 30 10 IDEE C=CC[S@](=O)(=NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 1636975135 AGGMKXLSLFBLQZ-GMYLUUGSSA-N 435.527 1.692 30 10 IDEE CC1(C#N)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1637218710 UZLCKWNPZXTJRQ-PMPSAXMXSA-N 425.551 1.809 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1638702976 FCWOLNTXRCSVII-ZDUSSCGKSA-N 433.534 1.879 30 10 IDEE Cc1cc(S(N)(=O)=O)cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1C 1639050071 PYXKZWLAKYNYLP-UHFFFAOYSA-N 431.470 1.469 30 10 IDEE Cn1c(=O)[nH]c(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c(C#N)c1=O 1642198573 DDZXEXNWLFNDNE-UHFFFAOYSA-N 432.278 1.563 30 10 IDEE C[C@@H](CC(=O)N1CCC2(CC1)CC(=O)C=CO2)NS(=O)(=O)c1cccnc1Cl 1645737513 GEBWMABVWNDVQN-ZDUSSCGKSA-N 427.910 1.656 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](CC#N)C(F)(F)F)cc1 1651238313 WQBZKMFWYVDATG-CQSZACIVSA-N 434.440 1.408 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1652167592 SMLMHLIRCGVIKZ-UHFFFAOYSA-N 445.472 1.812 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3OCC(=O)N[C@@H]3C2)n(-c2ccc(F)cc2)c1C 1658892779 ANSTXFIXNWABIY-RTBURBONSA-N 425.464 1.633 30 10 IDEE CN1CCN(c2ccc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2)CC1 1671495508 RYGPTDOBDNDQIQ-UYAOXDASSA-N 442.564 1.997 30 10 IDEE CC#CC[C@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1672100890 QPPYDCSWYLMXJI-CABCVRRESA-N 436.475 1.544 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)cc1 1673936223 QECOOALICCKBBW-UHFFFAOYSA-N 427.530 1.693 30 10 IDEE C#CC[C@@H](COC)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1674560816 BNQQBTYGFPVMGY-SFHVURJKSA-N 438.569 1.962 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)nn1 1682167157 UQTRZPOUVNMFKA-UHFFFAOYSA-N 444.439 1.098 30 10 IDEE COc1cc2c(cc1OC)[C@@H](NC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CCCC2 1684868382 VHUISWFNYGWHRL-KRWDZBQOSA-N 439.472 1.872 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1689831397 KNOPGNPPFAXWDD-FCEWJHQRSA-N 445.486 1.651 30 10 IDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC(=O)NC 1689877133 RDBSSDDWSSNHSH-UHFFFAOYSA-N 445.593 1.922 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1689879980 NUGHSPPSEKPYPQ-UHFFFAOYSA-N 429.546 1.821 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cc(CO)nn1 1690005165 UGOHPZHEYCFPGU-UHFFFAOYSA-N 441.499 1.582 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccco1)N(C)C 1690101388 YXTMHZHKTFOAFE-KRWDZBQOSA-N 440.504 1.988 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(OC)CCOC2)CC1 1690144020 JMVTZQKCYFLKLN-HSZRJFAPSA-N 438.532 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOCC(F)F)CC1 1690150430 HDDOVIQKIPZSMW-UHFFFAOYSA-N 432.475 1.511 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1690621857 BMBABKOHTRZCGC-ZDUSSCGKSA-N 442.492 1.595 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690658967 FRAZFSYGZBQZKZ-LSDHHAIUSA-N 434.566 1.939 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1F)C1CC1 1690671531 YEQUAUQAVASQJE-MRXNPFEDSA-N 447.536 1.791 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690714782 UZEGOOYZYCXZGM-BRWVUGGUSA-N 425.555 1.335 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1690715795 VFYQLXBTKMYJEP-OAHLLOKOSA-N 437.545 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@@]1(OCC)CCOC1 1690731144 AVNQNRQYGWIZHO-SQGPQFPESA-N 442.582 1.392 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCCCCC3)n2Cc2ccc(C#N)o2)C1 1698312855 CJERAVNLEBRTNE-QGZVFWFLSA-N 434.522 1.504 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705564080 KXFIXWVBFWHAFN-SFHVURJKSA-N 430.530 1.113 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1705598256 FNPZJIXFDMLBEK-CQSZACIVSA-N 434.509 1.939 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1705612996 ULDLCLNELGMFRA-SFHVURJKSA-N 430.530 1.733 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NC)CC1 1705645759 DLCDWMXMTWAHQN-UHFFFAOYSA-N 446.914 1.840 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705831731 AYMWJFDJGMISMT-QFIPXVFZSA-N 433.553 1.768 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1705898506 OCUAUTOPLPEWCF-MRXNPFEDSA-N 445.955 1.454 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(CNC(C)=O)CC1 1705905255 PAXFNMHUXGWOJO-UHFFFAOYSA-N 440.548 1.532 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705918932 SUJLZRNJASRZFN-YGCDDZCOSA-N 435.488 1.648 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(C(C)=O)CC2)C1 1705929794 YBDSNERWBSEWLL-LJQANCHMSA-N 430.553 1.440 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705939489 YDTGLIKNQBNGNS-WCXIOVBPSA-N 440.566 1.359 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)CCOC1 1706679575 KQBZQEUFFIWPTL-ZLGUVYLKSA-N 431.493 1.548 30 10 IDEE CC[C@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708562335 NUSQIDODMJOCNE-MXLIYFDZSA-N 444.536 1.704 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(C)CN(C)C1=O 1710731708 CRQGOBFTFPCUEY-QFIPXVFZSA-N 441.511 1.630 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@@H]1[C@H]2CCC[C@H]21 1711046115 PYVAISXIUOHSRU-RUYXUALKSA-N 444.561 1.855 30 10 IDEE COCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1712425206 BMRLPCWFUJUOBC-LJQANCHMSA-N 446.577 1.266 30 10 IDEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1712878708 JHNPMSRQPUDUNV-OAQYLSRUSA-N 445.545 1.108 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722327166 MVBMVYZOZVPCMP-HZPDHXFCSA-N 442.549 1.592 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(-n2cncn2)c1 1722387837 ZHLKMWJYQUZDOV-UHFFFAOYSA-N 425.500 1.842 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1722404537 CINPFIFIDMWKNB-QFIPXVFZSA-N 439.541 1.811 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722517311 JHYDUWUPXBQXHD-IAGOWNOFSA-N 439.582 1.078 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCSC2(CCOCC2)C1 1722729036 WCDSAWONUQEMKK-INIZCTEOSA-N 442.607 1.485 30 10 IDEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1729339502 KFNSTKATHLANSZ-KRWDZBQOSA-N 428.493 1.023 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1730629400 FOACGBXQOACMAJ-NQIIRXRSSA-N 447.561 1.618 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1730955395 JBELDMSYODJAMK-QRFRQXIXSA-N 446.552 1.570 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1731008655 BIPPDWLCUFINRE-LJQANCHMSA-N 427.530 1.992 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1740623525 WBGWQSIMSUUJIU-VQTJNVASSA-N 449.621 1.409 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2=CCCOC2)n1 1740689138 PUBMDNQDQCSCHM-IBGZPJMESA-N 439.520 1.059 30 10 IDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1740695215 IYPZITKURQXCRQ-XMMPIXPASA-N 436.560 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ncc(CC)s2)CC1 1740705956 OUNXLWHWXHLWTA-INIZCTEOSA-N 428.562 1.815 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccccc1 1740722691 DCOKXDXCGZGCQH-OAQYLSRUSA-N 444.561 1.387 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740960068 KKZFEAVHAQPJAJ-QGZVFWFLSA-N 445.593 1.561 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740996126 GVUNDDCGCGJPMP-CVEARBPZSA-N 443.639 1.939 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741987296 YEEPJIWKIJWTLE-ZZEZOPTASA-N 432.488 1.997 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1742363219 BIIFIXBXXKJAEZ-PKOBYXMFSA-N 445.545 1.719 30 10 IDEE CC[C@H](C)c1nnc(N2CCCN(CC)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743724171 KRPHSCOTVOXTBL-LZICOFPGSA-N 429.525 1.377 30 10 IDEE CCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c1 1746507680 CPCQHYWCWVEPFU-UHFFFAOYSA-N 435.532 1.938 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1748772731 PMDDWPVOZULDBT-ZDUSSCGKSA-N 436.504 1.232 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748812186 RQOWCVYPXNVEPX-KRWDZBQOSA-N 444.561 1.569 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1748812664 YVLRMCMABHCQIE-GOSISDBHSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748818402 ZLLJKFAHYRYYEJ-HOTGVXAUSA-N 435.575 1.612 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1748846474 HFDVGEFWWAQNPC-SFHVURJKSA-N 442.541 1.513 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C 1748846891 LUUUKNYGSICNLQ-WOJBJXKFSA-N 431.606 1.764 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749115999 YARHQGGNQBCRKI-KURKYZTESA-N 431.537 1.885 30 10 IDEE COC[C@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749362654 IXTZGYXYEWUXOH-MRXNPFEDSA-N 441.515 1.508 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1749599762 KNQUNIUYCBTDPR-IBGZPJMESA-N 446.573 1.940 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@H]1CCOC1 1749655616 NDQNVLXTUBODDM-HNNXBMFYSA-N 431.493 1.498 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sc(C)nc1C 1749829992 CNNLHYFWEKUMIV-OAHLLOKOSA-N 438.579 1.668 30 10 IDEE CS[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C 1750246199 DQFWOSNEQRIWNH-MELADBBJSA-N 430.600 1.395 30 10 IDEE Cc1ccccc1-c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1751665005 VCJWYJBXIQMYMS-JDAKFOBDSA-N 449.515 1.447 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)c1ccccc1 1760120928 RANLMCCVBKZGAE-QGZVFWFLSA-N 429.546 1.722 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCC2)c1 1760128376 GPZKXYYUQCCHLE-LJQANCHMSA-N 435.532 1.381 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1760131676 XPEFJJOTOOGINZ-SJORKVTESA-N 447.561 1.968 30 10 IDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760176415 KFKQWCGWESOPQH-KRWDZBQOSA-N 426.546 1.632 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1760186929 SAQMSISNQVGPHJ-GOSISDBHSA-N 430.578 1.613 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760189056 GHAMGWYIUFHDKB-SFHVURJKSA-N 444.586 1.647 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190142 YLWDKMNTAPDUBC-RBUKOAKNSA-N 444.557 1.660 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760191770 MYMWHRAGPCFCJN-KRWDZBQOSA-N 448.520 1.538 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760411735 QZGRQFUFZSLGIY-INIZCTEOSA-N 445.568 1.005 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O)C1CC1 1760469609 LNLAMWGJPJQJOV-UHFFFAOYSA-N 438.575 1.938 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1760689148 SMZSTXRFQCGYJR-RBSFLKMASA-N 426.543 1.027 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1761544522 GACBQJJZEJNDQA-JRWGXLCNSA-N 446.515 1.920 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1761546924 LRGGXROKGZVDJV-MRCUWXFGSA-N 446.515 1.920 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1763513195 ORJFYIJJCJOSKY-VQYLBFNNSA-N 439.520 1.814 30 10 IDEE CCCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1765955363 LDAVTSTZAGRDSX-HTXNQAPBSA-N 438.492 1.688 30 10 IDEE COc1cc(C)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1769788624 DMUBHMRKOARCBZ-OAHLLOKOSA-N 432.550 1.994 30 10 IDEE CS(=O)(=O)N1CCN(CCNCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)CC1 1848711555 AZCOTQYVAHADMZ-UHFFFAOYSA-N 437.381 1.929 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCN2CCC(C#N)CC2)cc1 1850278734 IJNPIIVHVMWWAX-HXUWFJFHSA-N 434.562 1.590 30 10 IDEE COc1cccc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)c1 1851497029 CHVNKOLSOMCGIY-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCC(=O)N2CCOCC2)c2ccncc2)c(C)c1 1853581432 WCDHYSFTARIGCV-UHFFFAOYSA-N 432.502 1.214 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1854466621 NDBXJNJXIHEEOC-MOPGFXCFSA-N 435.521 1.780 30 10 IDEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794585 DVWIUPYGMPSWKK-ZWKOTPCHSA-N 445.589 1.643 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN(CC)CCO 1870584744 CEWAIRXZJOAJJM-UHFFFAOYSA-N 448.545 1.834 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874274556 SKOYNNWEVJHULT-BMZJSHLCSA-N 444.517 1.550 30 10 IDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 1874350355 IBDVPGVDTRYFPH-UFFVCSGVSA-N 442.457 1.951 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1879734190 ZCZZJVMDADZUQZ-SMASLZHESA-N 449.357 1.807 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc4nsnc4c3)CC2)CC1 1889517048 ULFZEYJWALEWNY-UHFFFAOYSA-N 427.574 1.953 30 10 IDEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(=O)oc2ccccc12 1890806782 TXPANVLZDASMFG-UHFFFAOYSA-N 437.540 1.973 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)CC1 1891835806 AOYSXRMQINUVAQ-UHFFFAOYSA-N 433.534 1.170 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2076822446 UVOSFVZSOVFDRK-QVKFZJNVSA-N 440.346 1.270 30 10 IDEE N#CC1(CS(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)CCOCC1 2174786019 FNEYOVONCRWOQZ-ZWKOTPCHSA-N 437.518 1.310 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)C1 2247565398 SHHBYDGPGHFAHN-WLBKGHODSA-N 426.561 1.883 30 10 IDEE CC(C)(C)OC(=O)N1CCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247881623 BKYGYRQLBYEPBG-UHFFFAOYSA-N 439.343 1.927 30 10 IDEE C=C(CS(=O)(=O)N(C)CCOCCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903719 JGWKUOLAPKZTTH-UHFFFAOYSA-N 448.391 1.977 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248406311 WYFVKUUXCASYKO-SMDDNHRTSA-N 441.359 1.333 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255646009 SUYHXZZUKAAMKP-GJZGRUSLSA-N 430.314 1.610 30 10 IDEE CCn1cc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255651190 HSBOCBDUXWEXHF-UHFFFAOYSA-N 434.346 1.799 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255653682 MODYMBCTAJPACP-OKILXGFUSA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255694329 NGMIYSIZBVTTTO-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255710128 GYFFRJLYULBQKF-LSDHHAIUSA-N 436.314 1.943 30 10 IDEE Cn1cc(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255827244 WMADZHXPHZNCPI-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828903 YSGIRLIWYYQLSQ-CYBMUJFWSA-N 436.362 1.918 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255831047 PGOAUNDOBDPKFP-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2256920343 NBABJZGCJFQGBO-UHFFFAOYSA-N 427.310 1.925 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267007624 YZRZDPFEDNFGRF-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE CCn1cc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178639 FNPSDJRMGBINGH-SFHVURJKSA-N 444.263 1.485 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCOCCNC(=O)OC(C)(C)C)n1 2267186491 KPAKBVGTZLZDAG-UHFFFAOYSA-N 449.357 1.960 30 10 IDEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267267303 JHEJYBRRMSWTBL-YPMHNXCESA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267478804 CLWIYHPEXYQSPM-IAGOWNOFSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267588130 ICPLTYPOHKCOBI-NVXWUHKLSA-N 447.341 1.650 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646088 XITBKPALMIVKKE-MAUKXSAKSA-N 448.369 1.919 30 10 IDEE Cn1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2270584009 HWEJBKPNQZAVGB-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE Cn1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)cc1B1OC(C)(C)C(C)(C)O1 2270600619 RYMLRLQJUFJERS-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE C=CCCC1(C(=O)O)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2281053653 PPADAFFGGCTDKB-IBGZPJMESA-N 438.477 1.693 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CCS3(=O)=O)cc2Cl)OC1(C)C 2282313246 ISRWMNCWFSLTAB-SECBINFHSA-N 441.789 1.166 30 10 IDEE C=CC[C@]1(CO)CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2287689730 CIJJNGUNWAGLLQ-YLJYHZDGSA-N 440.518 1.489 30 10 IDEE C=CCn1c(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)nnc1-c1cccc([N+](=O)[O-])c1 253572814 QQCDKFOVRZMPOM-UHFFFAOYSA-N 440.445 1.464 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 438617635 HKFDYFYJRQZZRH-IIQVLQBDSA-N 438.484 1.312 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3c(Br)cnn3C)c(=O)n2C)cc1 447280877 OAOBJQCLWMINQE-UHFFFAOYSA-N 443.326 1.637 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(C#N)cc1 460282422 QDBGIHFYDOADLD-UHFFFAOYSA-N 445.497 1.397 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cn1 462096724 KUYZUNVNYLCVQK-UHFFFAOYSA-N 445.487 1.394 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 466818141 XNBAYWUHPGOLHL-UHFFFAOYSA-N 427.530 1.541 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC1 469828683 DLMIYMNITGFROL-DOXZYTNZSA-N 438.488 1.041 30 10 IDEE COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(F)c1 481781639 QUZGBAPMHDIWBA-RHSMWYFYSA-N 447.488 1.512 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 499106165 HPZKHDVTASBXCD-UHFFFAOYSA-N 448.570 1.315 30 10 IDEE N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 501893293 SEULEUVLTGFVSQ-IBGZPJMESA-N 431.539 1.588 30 10 IDEE CC1(C)NC(=O)N(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 502657637 WZSQHJOWOSLZCG-OAHLLOKOSA-N 448.321 1.488 30 10 IDEE CN(C)CCN1[C@@H]2CCN(C(=O)C3(C#N)CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O 503717065 OTHFDWGFTSAOHG-SJORKVTESA-N 432.546 1.295 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 509138296 NCAFEABQIWKCKI-ZDUSSCGKSA-N 425.454 1.622 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)CC1 522310038 VCFBYAHOTSBIGE-BGYRXZFFSA-N 443.592 1.425 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 524337285 ANKPZUIZGLMWFC-UHFFFAOYSA-N 448.548 1.203 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 539503170 GTSKTAWQAZSVOR-GFCCVEGCSA-N 442.423 1.263 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)[nH]1 545491458 KDBARYANIOQKBO-UHFFFAOYSA-N 446.467 1.110 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC2)CC1 555494579 LSLIHXKZIVNVDD-KRWDZBQOSA-N 436.520 1.144 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cn1 567524707 CGKPFFZYJYLAJW-KRWDZBQOSA-N 431.456 1.940 30 10 IDEE CON[N+](=O)CC(=O)N1[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 585088966 QYYYIHRLCWKSAG-OXQOHEQNSA-N 433.510 1.760 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(N3CCCCC3)n2)CC1 610036595 YUKVWFIQUQNDDL-UHFFFAOYSA-N 440.529 1.485 30 10 IDEE CCOC(=O)c1cnc(N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)s1 610370940 MJQWKVCABPVKHI-KRWDZBQOSA-N 430.530 1.948 30 10 IDEE CN(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 616171490 HMSQIMWXODDFJV-HXUWFJFHSA-N 441.557 1.877 30 10 IDEE Cc1cc(S(=O)(=O)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)s1 733859648 ZZUPZHPXCYXVQK-HNNXBMFYSA-N 446.510 1.947 30 10 IDEE Cn1cc(C#N)cc1C(=O)OCC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 751724043 JCVJZDIAZRMWEO-PXNMLYILSA-N 439.453 1.301 30 10 IDEE N#C[C@H]1CN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1C1CC1 766550396 NBJZYKLTMGZSLE-AWEZNQCLSA-N 446.451 1.741 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 766991398 WRHZEAAYSSRXFR-UHFFFAOYSA-N 426.458 1.587 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 790118286 SVGCNCYQLLYKQT-KRWDZBQOSA-N 433.534 1.571 30 10 IDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCc1ccc(C#N)c(F)c1 791315320 MFUAAALXSYHQOF-ZDUSSCGKSA-N 433.461 1.809 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)CC1 798289075 CYGOXDONPGKHAM-IBGZPJMESA-N 434.581 1.696 30 10 IDEE CCOc1ccccc1CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 799584551 GVEGXBJXZDHATI-KTVWJZFRSA-N 441.532 1.827 30 10 IDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 800780778 IFSKMTWMDKNYJC-HNNXBMFYSA-N 438.492 1.680 30 10 IDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 1084286566 SRIUFBUYNBHOCV-UHFFFAOYSA-N 441.473 1.281 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccccc3OC)n2N)cc1 1084512079 GNTYCOFHVVUTTB-UHFFFAOYSA-N 441.517 1.864 30 10 IDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)N3CCc4ccccc4C3)n2N)cn1 1084565954 SBUFMSSRCPEHNE-UHFFFAOYSA-N 439.549 1.892 30 10 IDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 1125188953 LGFSXUGEJLCCFH-DRHFFQLASA-N 437.518 1.796 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC4(CCOCC4)O3)C2=O)cc1 1134382042 MEFCEEWGURQEHU-ROUUACIJSA-N 426.473 1.608 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3cc(C)c(C#N)cn3)cc2)CC1 1136576030 TYZVXBHNENWYRC-UHFFFAOYSA-N 435.528 1.777 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1)c1cc[nH]n1 1156614255 YHFYEQOXTSDUJW-UHFFFAOYSA-N 449.508 1.767 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN[C@H](C(C)C)C3)nnc12 1161674326 VJFDEUCIFWRNKO-INIZCTEOSA-N 426.546 1.779 30 10 IDEE Cc1nc([C@H]2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 1162023053 QRMMLZQXWRTYNS-HNNXBMFYSA-N 430.534 1.728 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1286275807 UUVJDYQIBIUHHK-KGLIPLIRSA-N 442.549 1.488 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)COC 1286296645 QHKYIROVILNUDE-SJORKVTESA-N 441.598 1.522 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1286337104 ADRCVVURXLGJOB-HNNXBMFYSA-N 435.326 1.411 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1286387763 HWIDNVBNAMNHIR-QGZVFWFLSA-N 440.529 1.814 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1286394469 OQLZABMRNOBPDJ-AQNXPRMDSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1286420136 MFJDDAAXADYPRM-MRXNPFEDSA-N 446.552 1.605 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1286435769 IUQWGMZBRSYGQN-SFHVURJKSA-N 425.537 1.742 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(O)CCC2)CC1 1286494802 PZUPNXKNSPNLSM-OALUTQOASA-N 445.564 1.273 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286692157 CCCMFJFKHYWJLW-OAHLLOKOSA-N 441.602 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286817981 AATVGXCHXBTECN-KRWDZBQOSA-N 448.593 1.625 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286820978 WWISKDBJIYPDEI-MSOLQXFVSA-N 449.581 1.433 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1294694959 WSYFWFVCJGAHRQ-UXHICEINSA-N 442.612 1.857 30 10 IDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1296570935 PPUJLDOGSSQHER-VGOFRKELSA-N 430.553 1.975 30 10 IDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298292677 QJVWQNPLSWTAPK-XDOYNYLZSA-N 449.515 1.492 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299031540 ZKIOEINKRQHKQO-ZJIOXEHGSA-N 443.552 1.356 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1300273776 RWFOHPPHPQRLGW-HZPDHXFCSA-N 430.578 1.777 30 10 IDEE COc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1300307467 KTWYDNVDOQQWBT-MSOLQXFVSA-N 426.477 1.436 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1300493475 UWYFJSLZXJFBQG-JKSUJKDBSA-N 433.559 1.160 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1300557165 PXWGJRKBYMFTMM-SFHVURJKSA-N 431.566 1.255 30 10 IDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(=O)NC 1300740660 AGKNTBHCAZDXKM-UHFFFAOYSA-N 439.383 1.985 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1300891454 LABQWNWHPDFRML-XMSQKQJNSA-N 444.580 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301483831 XCWQPCUVPAWFIF-INIZCTEOSA-N 429.912 1.457 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1301567445 WQOOCTVPFSXUER-RBUKOAKNSA-N 448.593 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(OC)CC1 1301585177 HYIDPDPBRWVDCL-HNAYVOBHSA-N 425.555 1.225 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCN(c2ccncc2)CC1 1302969118 CWFWCDBSAFSZQS-OAQYLSRUSA-N 438.580 1.813 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1304903260 HCWZVKNQEVFESW-HNNXBMFYSA-N 442.545 1.451 30 10 IDEE COC1(OC)CCOC[C@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1308046249 KBGGXPWLDRAWQF-OXQOHEQNSA-N 446.548 1.724 30 10 IDEE Cc1ccc([C@@H](Cn2ccnc2)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)c1 1312350749 LWVIVUGQXDURSI-FBBABVLZSA-N 427.530 1.821 30 10 IDEE CN(CC(C)(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1314714052 CFQJCVRLNFHWPX-INIZCTEOSA-N 436.538 1.606 30 10 IDEE CN(CC(F)(F)F)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1314717628 AUJYMSXONTUEHQ-MSUUIHNZSA-N 435.410 1.789 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@@H]2C)C[C@H]1O 1315109248 OVOXKLQEAKYTKQ-LONFEIEESA-N 439.516 1.728 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1316493501 VFOKBHSNQDVDAZ-HWGJHUBPSA-N 447.499 1.957 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1358873310 HIPFPYQPEAVFGD-JTAQYXEDSA-N 432.613 1.662 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358964533 APOLMKNMXRMBGT-LJQANCHMSA-N 443.573 1.850 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1358965794 BGEGZKUEEGUFJV-INIZCTEOSA-N 445.574 1.271 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCCC1(C)C 1359018575 VLBBUSDZTPFHGW-JOCHJYFZSA-N 426.521 1.953 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)C(C)C 1359021721 YVGRBZAYKPQLRD-UHFFFAOYSA-N 427.505 1.575 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(C)nn2C)CC1 1359043791 IQMJUIBFFSVPOP-UHFFFAOYSA-N 432.532 1.705 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359058697 MXVUDAHPYNQOKF-UHFFFAOYSA-N 448.618 1.491 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359188509 PATKKDYJACHIFN-IBGZPJMESA-N 446.596 1.365 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCCOC2)C1 1359326561 CSZYYSJQXOPGHU-LJQANCHMSA-N 425.555 1.024 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1359332697 DVLBXZZCDSAGLR-GOSISDBHSA-N 448.593 1.983 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1360273909 DDHKQVSBHWKMIN-KRWDZBQOSA-N 425.537 1.498 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1360367728 KRBBVFWPQKYOHE-MXLIYFDZSA-N 432.525 1.558 30 10 IDEE Cn1cc([C@H]2CSCCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1456465913 HTKDDBHTJWPOSH-GOSISDBHSA-N 433.559 1.932 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OCC 1463723020 BAVFPQLXKMBVOL-LLVKDONJSA-N 447.311 1.677 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@@H](CO)[C@H](CCO)C1 1472393054 FSKINHZXCCLIGV-WSTZPKSXSA-N 429.517 1.842 30 10 IDEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCOCC1 1477625818 VEFYKPRPXGQCNN-QUCCMNQESA-N 435.546 1.372 30 10 IDEE C#CCN(C)CCCNC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1478680312 BGZJNHAXBUFSMM-SFHVURJKSA-N 434.606 1.870 30 10 IDEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)on1 1493122949 OXNVKMDROFJXQJ-UHFFFAOYSA-N 435.492 1.354 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1503862437 HRWIENRATDXJMF-KRWDZBQOSA-N 443.529 1.783 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1504887708 DEPRXGMENTWSMS-HZPDHXFCSA-N 440.570 1.024 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1507661193 OXVBHSFDYWYESJ-JOCHJYFZSA-N 425.537 1.543 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2ccco2)CC1 1507739612 JLHSOWKDNGCOOK-XMMPIXPASA-N 448.527 1.730 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1507968601 WSYYUVZBRLKCEU-MRXNPFEDSA-N 429.550 1.939 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)C)cc1C 1510941003 HKIIIXPGRTWXHF-SFHVURJKSA-N 439.520 1.648 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 1517927438 CHSFHHKODILCMM-WMZOPIPTSA-N 436.491 1.616 30 10 IDEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)CCOC1 1517947486 GQEICCHOJRSUIG-JOCHJYFZSA-N 437.504 1.867 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1539264991 BJGKVKFRMBPOTP-OAQYLSRUSA-N 448.552 1.546 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1539266406 QAXAIXHBAWSSEP-HSZRJFAPSA-N 435.532 1.330 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCNS(C)(=O)=O 1539392672 SNCHOVFCHCQAAC-UHFFFAOYSA-N 442.520 1.592 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2c3ccccc3C[C@H]2C)CC1 1539427726 IJKOIRAAHQFERV-LJQANCHMSA-N 435.576 1.623 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 1539462400 FWGNSTLIRLDZPR-PMAPCBKXSA-N 428.581 1.430 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)CCOC)CC1 1539462576 XIKPMYZDKGEEHZ-JOCHJYFZSA-N 431.512 1.539 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1539526216 FXACUBMNRNJHHO-UHFFFAOYSA-N 429.546 1.849 30 10 IDEE Cc1cc(N2CC[C@@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2=O)n(C)n1 1539746597 CSCIMGRNERAENV-OAHLLOKOSA-N 432.278 1.663 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1540074628 ZZQBIHNTJRWRGT-MSOLQXFVSA-N 449.577 1.777 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1540170973 USIRNXXHKSHTOS-LJQANCHMSA-N 447.561 1.846 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540875218 DSKKBJJDJUBTQB-QFIPXVFZSA-N 442.520 1.130 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1545929271 VPGDHRUQAHWVIW-LZJOCLMNSA-N 432.525 1.263 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547731452 LEKQCNMRYFLCDV-ICSRJNTNSA-N 443.621 1.933 30 10 IDEE Cn1ccnc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548371058 JFXYWVKAXRGRNP-QGZVFWFLSA-N 446.433 1.920 30 10 IDEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cn(C)cn1 1548375068 ASXFTNLIRBOFIO-KRWDZBQOSA-N 434.422 1.730 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(C(N)=O)CCOCC1 1555629094 OKWIXFOVAJOYKB-MRXNPFEDSA-N 434.541 1.414 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1555802129 YYWIWAZCNGKWNN-UHFFFAOYSA-N 430.534 1.358 30 10 IDEE N#Cc1cccc([N+](=O)[O-])c1CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1559604189 YSUOFPKLBZPYJY-UHFFFAOYSA-N 426.458 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCCC1 1564667662 DVGVTMPWDGUMJB-RZQQEMMASA-N 440.566 1.650 30 10 IDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)CC#N)CC1 1566317705 GJLUDQHXVDOFJO-UHFFFAOYSA-N 428.308 1.359 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1588058807 CWIFMWAKLFKUDT-IAGOWNOFSA-N 438.500 1.619 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2COc2cccc(C=O)c2)CC1 1588199455 PLTZNGXTPBTBNY-UHFFFAOYSA-N 441.509 1.304 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1588233055 APUCVOJNUJMYQM-SFHVURJKSA-N 433.578 1.510 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc2[nH]ccc12 1588646896 OUMDQTOFZFJQNM-GOSISDBHSA-N 441.557 1.990 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N2CCOCC2)CC1 1588769191 PFKPJDPKTHJJPM-SFHVURJKSA-N 439.520 1.329 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnc(C)s2)CC1 1588891134 LRIWLSZLOGTOTO-HNNXBMFYSA-N 446.577 1.781 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)[C@@H](C)CC)CC1 1588930506 YAEYEYXKJMSPTC-AZUAARDMSA-N 430.597 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCC2)CC1 1588930534 YOGWJILXGQYWLM-MJGOQNOKSA-N 445.589 1.502 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1589096257 AGEOSNOMCZXKKO-SFHVURJKSA-N 440.573 1.822 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCNS(=O)(=O)CC 1589250900 DIZLUSRSSTXWOW-OAQYLSRUSA-N 447.561 1.797 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1595556241 PYMNTHOMHVXZFX-LJQANCHMSA-N 442.539 1.469 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595812111 NJEGGEAWKRNGSN-HOTGVXAUSA-N 435.575 1.246 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1597053942 WJNAXZNTOVYXQD-ZDUSSCGKSA-N 429.336 1.954 30 10 IDEE CC1(C)COc2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)ccc2NC1=O 1597686706 KOZXHPABENWTLU-UHFFFAOYSA-N 428.470 1.721 30 10 IDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1597825139 AJXARKFJJYORCA-UHFFFAOYSA-N 437.548 1.332 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)CC2)cc1 1603335708 IQXWUMWXOOZPIZ-NHCUHLMSSA-N 446.573 1.017 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)c1 1612003661 RLLCYUNPTORMAK-QGZVFWFLSA-N 448.549 1.142 30 10 IDEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1612799897 JTOVPCNGLDPNHW-MRXNPFEDSA-N 432.550 1.904 30 10 IDEE CN(C)C(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1617563413 DKGNSJSXAGTBTP-NRFANRHFSA-N 431.516 1.605 30 10 IDEE COCCO[C@@H]1COCC[C@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1625457749 ZCVGIKIZBNVWTH-JPRIXKOTSA-N 437.537 1.710 30 10 IDEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CS(C)(=O)=O 1625760236 WERJAZOCNDVOGG-UHFFFAOYSA-N 441.575 1.146 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 1630221535 RIMLGHUURRECLV-UHFFFAOYSA-N 439.578 1.710 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 1631271874 DEKTYYDFMFKHJU-OAHLLOKOSA-N 441.552 1.110 30 10 IDEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C1CSC1 1632571645 IZQFCTSKNVYBQO-UHFFFAOYSA-N 434.587 1.816 30 10 IDEE COC(=O)CN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CCN1CCOCC1 1641822334 HZBBLQMONJGMDR-MRXNPFEDSA-N 448.589 1.880 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(O)nc4c(Br)cccc34)C[C@H]1CS(=O)(=O)C2 1646439957 UVCBLBQYXIBIMA-BTDLBPIBSA-N 436.287 1.713 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689980423 RIBZUJVFIOQSGR-HXUWFJFHSA-N 443.573 1.407 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689992795 OWWSCWCUMKJVJU-CHAGWJKLSA-N 426.608 1.405 30 10 IDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)COC)CC1 1690491565 DVSSSBIHGWOPRF-UHFFFAOYSA-N 432.550 1.531 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](COCC)C1 1690669824 PWIUGVSGTYIOFT-OAHLLOKOSA-N 437.504 1.759 30 10 IDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H]1C 1690674702 BQGQQFMVFILJKN-HXUWFJFHSA-N 437.592 1.934 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCS1 1692536393 OINXKARWKOEJGD-KRWDZBQOSA-N 440.577 1.905 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)S1 1693782886 FOWACSPEESEYLG-STXHMFSFSA-N 447.586 1.697 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC#N)CC1 1695872818 DVMNAEABLUEABK-QUCCMNQESA-N 427.601 1.904 30 10 IDEE COCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698224760 LSSGQIDLZLRCEH-LJQANCHMSA-N 441.536 1.428 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCS(=O)(=O)N(C)C)c1 1705508131 PZWQKTKOQSUFEJ-UHFFFAOYSA-N 444.561 1.178 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCOCC1 1705547385 RSLZXPUGRDSAFM-UHFFFAOYSA-N 446.577 1.548 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705560350 FZSNKQNSULNOMQ-LPHOPBHVSA-N 427.530 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1noc(CC)n1 1705583315 VDVSOTQBUKGTFW-UHFFFAOYSA-N 445.531 1.713 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1705641346 BJCPERAWYVVQSZ-WOJBJXKFSA-N 427.597 1.276 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)CCC(C)C)CC1 1705649292 SBYYPJIERVELNS-HSZRJFAPSA-N 441.580 1.832 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(C)o1 1705897131 GTVQYBJGDSRCPB-CABCVRRESA-N 436.538 1.433 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705909202 PYOZPNRQYXJIPB-WDYCEAGBSA-N 429.525 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccco2)C1 1705934317 IMCIYVSJWLSRQR-GOEBONIOSA-N 435.506 1.001 30 10 IDEE C[C@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1707983624 BIEFWNPHLXKDLX-WMZOPIPTSA-N 444.561 1.713 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1712615853 QEDIRYCVLOPFAR-IBGZPJMESA-N 426.521 1.784 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1722337214 WHORWIKLZYYMNY-UHFFFAOYSA-N 449.515 1.977 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722367324 MQWCJVLPGZPPLT-DLBZAZTESA-N 432.546 1.943 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1722459127 CSQAVQNXYKYLNV-KRWDZBQOSA-N 447.586 1.282 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1722529630 XTDOOKCKHPWTQC-BBWFWOEESA-N 427.571 1.486 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1722583273 RNVPXNAUMWEWMG-GOSISDBHSA-N 435.594 1.889 30 10 IDEE CCC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1727956886 NJUYMGCSFJJNQI-KRWDZBQOSA-N 439.520 1.751 30 10 IDEE CCN(CC)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1728408935 JSXKQGZGOCFOKD-HOTGVXAUSA-N 449.581 1.569 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1730202511 UWFMSJMQAWESTD-IPMKNSEASA-N 429.477 1.134 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1730762006 ODWWHBLNHYLNRE-UHFFFAOYSA-N 447.927 1.642 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740581304 UUQYAGJGBVXPRG-KRWDZBQOSA-N 446.581 1.035 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740616994 KAKDVNOJMCBISZ-IIMDRIAPSA-N 436.578 1.601 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740622879 KFGNSQZLSARWMK-UTKZUKDTSA-N 447.561 1.063 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2cccc(F)c2)CC1 1740693256 VRONVUJSYZYAMJ-QHCPKHFHSA-N 443.523 1.904 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740759854 LZJCPIWXKJPYAD-JZJXAQOMSA-N 441.532 1.605 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1740888848 JJJUIDVZNLIFAS-IRXDYDNUSA-N 426.587 1.156 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(COC)CC1 1740985362 GDLGOGNRVWGTJL-UHFFFAOYSA-N 446.533 1.309 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1741114327 UVYAEDAJPYBKES-LJQANCHMSA-N 434.497 1.317 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1741124063 CSMVIRNJTQBKJJ-HUUCEWRRSA-N 432.550 1.605 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1743354729 FCLCHVJDMSDEPK-NVXWUHKLSA-N 430.534 1.323 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748635746 WYQYHIOXKBWHIP-RCCFBDPRSA-N 448.593 1.176 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1748710397 OMVNMRPXBAGPSL-UHFFFAOYSA-N 449.515 1.868 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1748756700 RZSCFDQWSPAYBZ-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748812554 WEMRSIDQBVLQKJ-ROUUACIJSA-N 430.578 1.774 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC1 1749342656 KZAFTIZQPJVQCX-GOSISDBHSA-N 437.610 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(C)C 1749655410 KBVWNZZVJKBYMI-UHFFFAOYSA-N 434.566 1.590 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681852 JYTLXBSISGINAF-WZONZLPQSA-N 447.580 1.752 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749729548 NCHJXJWSOWIOFV-XGHQBKJUSA-N 449.577 1.657 30 10 IDEE COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1750039771 IALMYKRPUSBJOE-SFHVURJKSA-N 440.504 1.316 30 10 IDEE CSCCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750320441 KWGOLALULYTAFI-FBMGVBCBSA-N 447.565 1.230 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750553599 GGOXTHWDYXPRIY-UZYVYHOESA-N 443.552 1.669 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]2C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1750959324 DZQGYAUYNBMSOZ-KIJUOZEOSA-N 429.525 1.568 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760185103 PQDBJLFTYWOZQD-YQVWRLOYSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1760188810 MYBXTWZJVZBQIO-QGZVFWFLSA-N 440.533 1.026 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1760225804 YQNOMJHRBGXXQZ-OAHLLOKOSA-N 433.534 1.442 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CN(C)CC)c2)CC1 1760252850 XFUHSZMYSUMNTM-UHFFFAOYSA-N 449.603 1.769 30 10 IDEE C=C(Cl)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1760387313 OBCVTJHFLRHBCN-LJQANCHMSA-N 438.916 1.203 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1760465038 VIVVEHBEQKHTMH-JKSUJKDBSA-N 435.554 1.007 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(CO)c1 1767942038 KZMOGQGQTYELPQ-UHFFFAOYSA-N 433.516 1.948 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768248261 QVTCUKBTJMUYEV-UHFFFAOYSA-N 439.501 1.310 30 10 IDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(Cc4cc(F)cc(F)c4)C3)CO2)nc1 1852465568 NBAJCQZRDVKGCP-CRAIPNDOSA-N 428.395 1.944 30 10 IDEE C[C@H]1C(=O)N(C(=O)COc2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)CC#N 1854783653 JILGJXICSWYOIC-INIZCTEOSA-N 427.482 1.645 30 10 IDEE COc1c(F)c(F)c(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c(F)c1F 1855002439 DUFRJUNHWNZWDZ-LLVKDONJSA-N 428.386 1.524 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCN(Cc3ccc(C#N)cc3)[C@@H](C)C2=O)cc1 1855643886 KKQPCJQCFXANND-KRWDZBQOSA-N 425.510 1.900 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)[C@H]3CCCO3)cn2)CC1 1858453042 PDYZRDSOKGVSGN-GOSISDBHSA-N 441.513 1.582 30 10 IDEE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](CO)C(=O)Nc1cccc(C#N)c1 1867190492 BCZOOFSJODFBFY-GOSISDBHSA-N 448.435 1.909 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(=O)OCC)cn1CCN1CCOCC1 1870451348 GXWHENQEXQSOLW-UHFFFAOYSA-N 433.549 1.687 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cc(NC(C)=O)ccc3C)C2)CC1 1872932135 YQDJPAUSOJMLQP-SFHVURJKSA-N 426.517 1.847 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661149 JMZQAOOOPSVRPB-UHFFFAOYSA-N 446.515 1.860 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889626661 UHVYNJYUMWLJBJ-UHFFFAOYSA-N 435.590 1.424 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987532717 MWOBJNLZHBFJDH-ARFHVFGLSA-N 425.526 1.780 30 10 IDEE C=CC1(NC(=O)C2(NC(=O)OC(C)(C)C)CC(CO)C2)CN(C(=O)OC(C)(C)C)C1 1990921849 CUYIFWGFOPWHBA-UHFFFAOYSA-N 425.526 1.944 30 10 IDEE Cn1cc(Br)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 2058153432 USROZAABCYZKPK-JTQLQIEISA-N 434.316 1.316 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141676762 BPFBOASGRJSBMQ-HNNXBMFYSA-N 449.313 1.776 30 10 IDEE COC(=O)C[C@@H]1CSC(=NCc2nn(C)c(Cl)c2I)N1 2174387836 IENIMMGHWKRDTJ-ZCFIWIBFSA-N 428.683 1.802 30 10 IDEE C#CCn1ncc(NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2201306025 YCOBAXCRZAANKC-SFHVURJKSA-N 441.326 1.813 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2243494159 YCPIIGGSOUDBRZ-UHFFFAOYSA-N 438.293 1.527 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255538540 MCGXBABOFCAFFW-KBPBESRZSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](C#N)C1 2255630668 NHSTXYDUMZUCOD-ZDUSSCGKSA-N 431.302 1.294 30 10 IDEE C[C@@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255809750 CMWHOMONAVGRCS-PWSUYJOCSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255854842 HONBDTWGIAIUJT-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE C=C(CS(=O)(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1)B1OC(C)(C)C(C)(C)O1 2255952391 SINRVESJTLRETD-FQEVSTJZSA-N 449.426 1.910 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267198285 WABHPIUWVTUCRQ-HIFRSBDPSA-N 448.329 1.045 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267270508 MGYDIACIMDQNAL-KRWDZBQOSA-N 447.341 1.747 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492120 OEFYTUNIDXOLKG-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267539778 NCRXZURJDCKGOT-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]21 2268721157 HOTXBWNFJQGYIV-YESZJQIVSA-N 445.325 1.954 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2272649927 NQDMNBJPIYTJFG-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE Cc1cc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1C#CCN 2289460860 NUZUOSRNQCRWBA-UHFFFAOYSA-N 425.510 1.411 30 10 IDEE Cc1c(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2334270115 DVXHKOHLXCDWLV-FMKPAKJESA-N 446.357 1.765 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2337191255 XBXJJCAMWOYFOX-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2337293092 YJZVOVCRNPRHLT-QDMKHBRRSA-N 446.357 1.657 30 10 IDEE CS(=O)(=O)C1(C#C[C@@]2(OCCC(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)CC1 2367797725 WRQOOZVYHBHXNR-UTKZUKDTSA-N 435.498 1.886 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccccn1 21324895 AREVLIAVPAGUCP-FSJBWODESA-N 440.489 1.725 30 10 IDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 27559654 XCPXMFZTLRXLGD-LXGFQCHUSA-N 431.581 1.089 30 10 IDEE C=CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 44361177 KQDACMNIISKKLU-ROHOOWMXSA-N 425.532 1.757 30 10 IDEE Cn1c(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)c(C#N)c(=O)n(C)c1=O 301624744 PIUNXWDGVWGTPC-SNVBAGLBSA-N 428.802 1.714 30 10 IDEE C=CCN(C(=O)CN1CCOCC1=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 448140200 UFBYGSABGGAVPM-UHFFFAOYSA-N 435.527 1.591 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)cc1 475567046 QJQLHZDSGMZBHH-UHFFFAOYSA-N 438.488 1.689 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H]2CN2CCOCC2)c(C#N)cn1CCOC 481336100 ACJOPEVOMMBZDU-QGZVFWFLSA-N 433.509 1.511 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)n(C)n1 506532175 DKCRARYLCZDBGN-GOSISDBHSA-N 442.545 1.102 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CC(N)=O 524282160 SYSFVHFBSKVQCN-UHFFFAOYSA-N 436.320 1.574 30 10 IDEE O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CCCN(c2cccnn2)CC1 525323451 HKZLWIWVSVCQFH-UHFFFAOYSA-N 426.480 1.949 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC3CCCC3)CC2)n1 545490168 BXPNHDUUBZHJPM-IBGZPJMESA-N 440.548 1.323 30 10 IDEE CCOC(=O)c1c(NC(=O)NCC2(O)Cc3ccccc3C2)c(C#N)cn1CCOC 548502456 LICXAENPARMIHK-UHFFFAOYSA-N 426.473 1.834 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 549639199 SCFJOJWSGBWCCM-INIZCTEOSA-N 425.555 1.337 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2)CC1 555185525 FAKULNMSIZFCGQ-UHFFFAOYSA-N 448.575 1.612 30 10 IDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 585088926 LRAUCQHSWHDFBB-LJQANCHMSA-N 435.482 1.072 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2nccc3ccccc23)c(=O)n1C[C@H]1CCCO1 610128462 MNUQVXPCJALRCO-QGZVFWFLSA-N 448.548 1.666 30 10 IDEE Cc1ccc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N(C)C 619510062 IKGDMCLNQMTKHE-UHFFFAOYSA-N 442.545 1.273 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 730143603 UUXMHIVVIJHHOH-SFHVURJKSA-N 433.578 1.521 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 734292936 ZRKLADOBABPPOY-UHFFFAOYSA-N 426.454 1.437 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 742279802 ZHWSOISRMHZEEV-LLVKDONJSA-N 437.293 1.168 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2c(C)nn(C)c2Cl)c1 750566134 DBMONZXEQZJQMI-UHFFFAOYSA-N 436.921 1.417 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@](C)(CO)C(=O)O 757298220 ICSQRDIULPWSHI-HYBUGGRVSA-N 436.464 1.869 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767879598 FYDTXENSCSIZPK-UHFFFAOYSA-N 444.513 1.150 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(CCC#N)CCCN(C)C)C1=O 771317412 KRQTWKGVIAERBW-JOCHJYFZSA-N 429.521 1.465 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CCN1C1CC1 772492147 WGGAGHYWVQUPEF-LEWJYISDSA-N 447.543 1.467 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 782926454 RMKUPRBBHUGLAG-UHFFFAOYSA-N 428.517 1.653 30 10 IDEE C[C@@H](C(=O)OCc1cc(O)n2ncc(C#N)c2n1)c1ccc(S(=O)(=O)N(C)C)cc1 784066406 VJDVLPIGZIEZFC-GFCCVEGCSA-N 429.458 1.404 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(C)C)c2=O)cn1 794580183 VJTVAEOIBGBIBN-QGZVFWFLSA-N 428.558 1.671 30 10 IDEE CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801972990 HJWKQILPQGZEEZ-GOSISDBHSA-N 443.577 1.604 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 804961643 FAHKEIYNZQCVNE-NSHDSACASA-N 447.478 1.344 30 10 IDEE CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 807247437 BMWCQHBOBQKJTK-UHFFFAOYSA-N 439.541 1.183 30 10 IDEE COc1cccc([C@@]2(C)NC(=O)N(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)C2=O)c1 808330196 NIJOCVWDEMRCAJ-GOSISDBHSA-N 434.861 1.881 30 10 IDEE C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 809249446 IZFKUSFQWFBKMA-JSEHHNLVSA-N 437.496 1.910 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 809572257 JRNKJDMZZVFOAT-MBSDFSHPSA-N 433.549 1.877 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 916179185 QVCQOCKGXLSKQU-UHFFFAOYSA-N 441.490 1.866 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 916702728 FKCXZSMJYBTDRH-QGZVFWFLSA-N 444.513 1.428 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1136545388 YUUBZYLBSOLYSQ-KRWDZBQOSA-N 434.468 1.802 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 1142773058 HFCYAKMXAMTZLF-JGGQBBKZSA-N 447.966 1.230 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C1CCOCC1)C1(CO)CCC1 1143572900 BAKUBXYJMDCMNU-HNAYVOBHSA-N 435.546 1.299 30 10 IDEE O=C(CSc1ncccc1C(=O)N[C@H]1CCN(O)C1=O)Nc1ccc2c(c1)OCO2 1159324283 GSCSHSRKPZAYMQ-ZDUSSCGKSA-N 430.442 1.261 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc21 1176968304 GRQYTLXTPBHOPP-AWEZNQCLSA-N 439.472 1.866 30 10 IDEE C#CCC1(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CCCCC1 1226843762 STIOYVRWRVOUJV-UHFFFAOYSA-N 434.342 1.937 30 10 IDEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1269094682 PYMJDLQSIKNFPD-MOPGFXCFSA-N 433.468 1.237 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1286277986 JYFOZWRYKQBWGD-ZIAGYGMSSA-N 431.522 1.102 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1286299379 VJVUNNSLEIHWHT-HOTGVXAUSA-N 425.518 1.267 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286339344 NTQSZFVJZXLFOP-UHFFFAOYSA-N 431.544 1.975 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1286431806 RXOQNKKDZYUUPY-NRFANRHFSA-N 434.544 1.915 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(C)(=O)=O 1286439975 ZKGSWCWAPQSECY-UHFFFAOYSA-N 437.529 1.143 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCSCC1 1286442497 BNMWNRGWIIQTKS-UHFFFAOYSA-N 447.634 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCc2ccco2)CC1 1286489683 CDCQUCHPXPXHFD-UHFFFAOYSA-N 447.499 1.215 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286563060 NWVKCGXWEGHMCD-JQHSSLGASA-N 439.582 1.629 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)OC)CC1 1286791471 SZNOYSDWHNVLIQ-SFHVURJKSA-N 441.488 1.482 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286792725 GLGDOHRYKUGWCQ-UHFFFAOYSA-N 433.601 1.112 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1286858683 DJINPAINDUUARI-GCJKJVERSA-N 427.553 1.789 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1291189455 BIQHUQAXXSJCNV-DHMKHTPVSA-N 426.546 1.785 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1300308091 MAQMXNFKRUXLDR-IEBWSBKVSA-N 438.557 1.931 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300336326 CUEXPWPTOCOREX-UHFFFAOYSA-N 436.582 1.178 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1300478722 AMUBMXUASJKTFI-LJQANCHMSA-N 441.557 1.498 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300491983 KOFSOPRQLLNUMG-IEBWSBKVSA-N 442.589 1.758 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1300493460 UQWKRGVURMVVAR-BBRMVZONSA-N 435.575 1.994 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N(C)C 1300560721 IQGAQXSZFBPGSM-UHFFFAOYSA-N 445.545 1.317 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCOC1 1300602237 BDXTXXGULIJOAU-HXUWFJFHSA-N 432.550 1.158 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1300868691 GSGIOCKRDLKPMO-MGPUTAFESA-N 427.505 1.880 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1300915842 QZNDDOPJMHGNBE-LJQANCHMSA-N 449.577 1.554 30 10 IDEE C#CC1(O)CCN(C(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)CC1 1301220206 YYBSSEIMTFYQLN-GOSISDBHSA-N 432.318 1.964 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)Cc2ccccc2)C1 1301553914 ABIBMQBNTADBOJ-OALUTQOASA-N 438.532 1.669 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)NC(C)C)C1 1301557026 LSHYFLAGHGKEBF-IRXDYDNUSA-N 427.571 1.281 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301578744 HPMOQIFVDHKAPZ-UHFFFAOYSA-N 449.581 1.458 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC(Nc4cccc(C#N)c4)C3)C2=O)cc1 1301633859 JLLZFCHIISTWDB-HSZRJFAPSA-N 433.468 1.657 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1304236613 KAZZYTUOHVJNCE-GOEBONIOSA-N 433.582 1.907 30 10 IDEE CC1=CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1304593636 VQTNRMSXBNEKOQ-QGZVFWFLSA-N 432.506 1.280 30 10 IDEE CC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1306327004 YZWPHHWZLBVDCE-RJCBAWPRSA-N 441.536 1.667 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1306628790 HAQCNVJIWUAEBE-SJTPKYKMSA-N 430.509 1.314 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)C1 1309386117 CBJADDHTNYTTFN-GOEBONIOSA-N 443.547 1.269 30 10 IDEE C=C(Br)CNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1311758229 ZHIOWEWMRFDRRT-LBPRGKRZSA-N 440.360 1.618 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)CC2)nc1 1355821343 QTOHWBUFENIKFS-UHFFFAOYSA-N 442.382 1.649 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359025133 DPHHPDHWNCCLEQ-QGZVFWFLSA-N 449.552 1.376 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359060297 QNMDCUVOTDYLEU-NRFANRHFSA-N 433.578 1.541 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)CC1 1359178732 AGSIILICRZEXGW-LJQANCHMSA-N 443.573 1.924 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359292775 XIJPFTSRDYYPCX-HDMKZQKVSA-N 442.495 1.574 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@H](C(N)=O)C1 1359304096 LEBZDDFZUYCJHQ-KRWDZBQOSA-N 440.548 1.903 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359385660 HVXHDPDCRTYZSM-HXUWFJFHSA-N 435.532 1.744 30 10 IDEE C#CCN(C(=O)c1cnn(C(C)(C)C)c1I)[C@H]1CCS(=O)(=O)C1 1435070232 XRELEYKGUJBOEE-NSHDSACASA-N 449.314 1.505 30 10 IDEE C[C@H](CC(=O)N1CCC[C@@H](N2CCCC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1451413680 AVXFFKLTZOOSIA-HZPDHXFCSA-N 432.546 1.507 30 10 IDEE N#Cc1cn(CCC(=O)N2CCOC[C@H]2c2cccc(Br)c2)c(=O)nc1O 1453479918 ZWEIOORGFMOWKP-HNNXBMFYSA-N 433.262 1.573 30 10 IDEE COc1ccc(CN(CCCO)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 1460907161 CVKZINLKSRCIJD-UHFFFAOYSA-N 427.505 1.397 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])n1 1463631114 GKRHMBVKAMPORI-UHFFFAOYSA-N 429.458 1.810 30 10 IDEE N#CCCN1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 1465019857 HSQKEINCDSYMCW-UHFFFAOYSA-N 428.537 1.423 30 10 IDEE Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N1CCN(C(=O)CC#N)CC1 1465872402 MHZMNSXDULLMKV-QGZVFWFLSA-N 444.536 1.962 30 10 IDEE O=C(Cc1cc(Br)cc(I)c1)N[C@@H]1CCN(O)C1=O 1468372665 HORAWTJIHVHKJH-SNVBAGLBSA-N 439.047 1.703 30 10 IDEE COCCOc1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn1 1468563195 JTVUXRNODCPODH-BXFSZVDSSA-N 445.520 1.905 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)C2=O)cc1 1470032388 HIOOAOFZISOALZ-WOJBJXKFSA-N 438.509 1.628 30 10 IDEE C#Cc1cncc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1 1471436047 XXMREKARRGXBJD-KURKYZTESA-N 426.473 1.718 30 10 IDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2cnc(C(F)(F)F)c(C#N)c2)cn1 1471827478 ZDACCHXGTXPHMW-AWEZNQCLSA-N 427.408 1.708 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)NCC3(CC#N)CC3)CC2)CC1 1478555354 DIUDNWCGKCXNAP-UHFFFAOYSA-N 434.541 1.680 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1499685468 JDBLVSQRQIZERF-MEUCICPISA-N 426.477 1.988 30 10 IDEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1500112133 GWGKLMWNXRBXCL-WOJBJXKFSA-N 426.521 1.973 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1505029278 KPSAZJVUPBCGMS-PBYQXAPXSA-N 429.546 1.970 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccs2)c1 1505121343 GSRTZYOPZNVNEB-AWEZNQCLSA-N 430.515 1.582 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(C)(=O)=O 1507519644 IXPUXDCDGYZAKG-CYBMUJFWSA-N 438.579 1.049 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1507544593 YRTQZKKVYGJCFO-GJZGRUSLSA-N 435.575 1.552 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507592847 ZGKPHIUPWOQHDC-JKSUJKDBSA-N 432.525 1.373 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NCc1ccccc1 1507657324 PPCOIYAWVMDCHY-UHFFFAOYSA-N 429.528 1.919 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1507688022 VJEBXKVJBMOHKI-UHFFFAOYSA-N 443.533 1.381 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](COCCOC)C1 1507782129 UJALDQRADJFDDE-KGLIPLIRSA-N 428.331 1.627 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507843248 VBMUIZBVKANZLL-FQEVSTJZSA-N 440.596 1.933 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@@]1(OCC)CCOC1 1507847685 BZCPDWPJBKHEPT-GHTZIAJQSA-N 431.541 1.956 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507892457 RMMAVUHSZXUGHR-NRFANRHFSA-N 448.545 1.572 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1507914026 GSEZKADGDFPGLU-INIZCTEOSA-N 440.614 1.795 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507968231 RAAUNASCFJWTFJ-GJZGRUSLSA-N 431.459 1.880 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1507970953 NOCQEMRVIUHPTF-FQEVSTJZSA-N 431.566 1.647 30 10 IDEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(C)(=O)=O 1507972049 FPYYDKGXBOPDIY-UHFFFAOYSA-N 444.355 1.888 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCCCO1 1508085895 IKCIEFQVQKECPJ-OAHLLOKOSA-N 437.504 1.901 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1[C@@H]1C[C@H]1CF 1510225450 CWYAVRVFDVONRE-RNJTYBCJSA-N 448.524 1.868 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1515036472 DBQWLPADLLQFNG-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE CCS(=O)(=O)N1CCC(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1538140795 XKLIFNDMPVHIGC-MRXNPFEDSA-N 430.571 1.751 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)CC2)cc1 1538479594 CGILYKDAUVUTHO-UWJYYQICSA-N 430.530 1.073 30 10 IDEE C=C(CO)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1538661137 FGYDYIBQTUTONK-UHFFFAOYSA-N 447.513 1.820 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1539011190 AKIPIZPNGBQSLG-OLZOCXBDSA-N 442.467 1.690 30 10 IDEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539095446 CTMOZBVDOANKNS-HXUWFJFHSA-N 447.547 1.569 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539216431 RPMJFEOXONQVHR-ZDUSSCGKSA-N 444.439 1.288 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1C 1539257342 IGADUCHIPOUDRI-MSOLQXFVSA-N 430.512 1.937 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539512888 IWRTVRGCFUDZIT-UHFFFAOYSA-N 427.513 1.301 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539626184 BHRZJGBDWQPCPR-FXAWDEMLSA-N 427.553 1.465 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)c3ccoc3)CC2)s1 1540672761 AAADUHHDIJAOLU-UHFFFAOYSA-N 437.543 1.769 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCCOC2)C1 1540862159 TUFBDBCICVCDGH-NRFANRHFSA-N 425.493 1.235 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540907007 JDRSEBAHQWBUNJ-QGZVFWFLSA-N 437.610 1.521 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1540917412 VVOQKPDWXSBTCH-CQSZACIVSA-N 435.566 1.487 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N1CCOCC1 1545543758 JDWJEVQNFWVNQW-KRWDZBQOSA-N 438.536 1.244 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1545684723 CMTJDBYUGXMSJC-DOXZYTNZSA-N 439.586 1.323 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)Cn2ccc(C)n2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367622 AGOZUNSRVRJZDA-KRWDZBQOSA-N 434.422 1.545 30 10 IDEE CO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)C(F)(F)F 1554617281 DSBHMNMIZCCGLQ-QJPTWQEYSA-N 426.465 1.594 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1555521396 WDJFOTZQXFUPOE-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1=O 1555584196 BZPJGBGYUSFXCM-UHFFFAOYSA-N 438.517 1.320 30 10 IDEE COCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555724743 GBCLGJPBILLVBH-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2ccccn2)CCO1 1555991983 CGJTVYOZZJNMKA-INIZCTEOSA-N 433.476 1.551 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 1556761798 OJKSWJDHOXZBJK-AWEZNQCLSA-N 437.584 1.506 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)C1CSC1 1557439212 UANDZAABRJNZEI-UHFFFAOYSA-N 426.520 1.271 30 10 IDEE C#CCC1(NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CCOCC1 1562599959 MKHOSCTXOHDQPW-UHFFFAOYSA-N 427.461 1.261 30 10 IDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1568425391 NBOVODBAQXXAMW-PKOBYXMFSA-N 433.354 1.780 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1570844414 FTXHBZJHVRTTSQ-LLVKDONJSA-N 435.399 1.654 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(=O)N(C)CC2)cc1[N+](=O)[O-] 1587386552 YPLUQIIVKFWDGO-UHFFFAOYSA-N 426.433 1.685 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1587567027 AIJZYMPMOLCTMK-FDDCHVKYSA-N 440.548 1.668 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1587974924 FUTAAOXYIQQJMR-UHFFFAOYSA-N 435.532 1.108 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCc1ccccc1 1587989139 HILJIUAPUBCFFR-SFHVURJKSA-N 449.602 1.614 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588040941 SMILVQLOMITKDL-MRXNPFEDSA-N 433.534 1.390 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C(C)C)cs2)CC1 1588733405 RLDKJKLLIBKMNZ-UHFFFAOYSA-N 427.578 1.898 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(NC(=O)OC)c2)CC1 1588800227 BFWJCKHCDXJAJY-UHFFFAOYSA-N 434.504 1.660 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOc2ncccc2F)CC1 1588914129 XLYHJJCDDMKUNQ-UHFFFAOYSA-N 449.490 1.919 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(N)=O)C1 1589036346 DDXDSJMYRRHHFA-INIZCTEOSA-N 427.530 1.784 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC)CC1 1593844869 HNNIKVKTVPNWIL-UHFFFAOYSA-N 428.888 1.135 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1595234588 VHNVRYHWJIYOAC-UHFFFAOYSA-N 431.562 1.794 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595569254 CTHMPWMTYWJWCL-IBGZPJMESA-N 443.596 1.056 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1595714655 PEGKGWIGMXXXCO-FUHWJXTLSA-N 445.545 1.462 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCC(=O)Nc1ccccc1 1611658420 CUWCJRZIPAPNJZ-CABCVRRESA-N 433.538 1.655 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1611686421 GJGRKCQYPCRSQL-ZZGLYJMHSA-N 440.545 1.271 30 10 IDEE C[C@](O)(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1611719921 FBNXBSSYLWLWQO-BLIXFSHQSA-N 445.545 1.207 30 10 IDEE CC1(C#N)CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCCCO)CC1 1611773380 KNLRNMWFCRVJMS-UHFFFAOYSA-N 432.550 1.799 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)[C@@H]1C 1612836808 GFYNDJJVDVZUHQ-HZPDHXFCSA-N 429.546 1.991 30 10 IDEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1617954585 VXUVEGDIOPEYNS-GOSISDBHSA-N 434.562 1.594 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1618837852 DDUHHCGUJHRANE-UZLBHIALSA-N 448.524 1.570 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1620044914 JTSBOYJGPGABIV-LLBVYWAGSA-N 441.532 1.988 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)c1cc[nH]n1 1620097549 DUWWEEPNZSYWAV-WMZOPIPTSA-N 442.524 1.285 30 10 IDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN(O)C3=O)CC2)cc1 1625082766 SFDRAVWQONKETH-GOSISDBHSA-N 437.562 1.881 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 1627561342 WLPGZLPBYHQYKK-IAGOWNOFSA-N 437.537 1.733 30 10 IDEE CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CCN(CCC(F)(F)F)CC1 1638784846 DYOXKTCDJMKJJQ-UHFFFAOYSA-N 432.468 1.712 30 10 IDEE CC(C)c1n[nH]c(CC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1640613829 BJWFEHXCCZYBFF-UHFFFAOYSA-N 430.534 1.448 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)C(=O)OC 1642410845 PECJDGYQWYLQSI-LJQANCHMSA-N 428.466 1.985 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 1656293443 MWUKFUOPYXHFLI-HSZRJFAPSA-N 425.485 1.917 30 10 IDEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)[C@@H](C)COC 1667138690 ZEUFQLJDYNJPMP-HNNXBMFYSA-N 427.523 1.771 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2cnccc2C#N)CC1 1675945862 ZCEWUFWIRRUTJC-UHFFFAOYSA-N 427.530 1.821 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1689853496 UNVUYBZIVCPSMS-HOTGVXAUSA-N 427.571 1.132 30 10 IDEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1689878697 RWXDTSLMCZKOEZ-INIZCTEOSA-N 449.353 1.801 30 10 IDEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689900568 JKSAYLWFBKSJIX-HXUWFJFHSA-N 434.544 1.404 30 10 IDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1689959830 OKWOWSOGGVPPNE-BQFCYCMXSA-N 439.520 1.829 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690120238 MTWXDDPXIJBDGP-HKBQPEDESA-N 436.585 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1690148597 MDZINKOAJGHLMB-JOCHJYFZSA-N 446.621 1.014 30 10 IDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690157697 MWNTWCBNTTWQPH-LPHOPBHVSA-N 442.607 1.384 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690180529 HCXKTLXTWMFXGW-KRWDZBQOSA-N 432.594 1.510 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690243200 IHLIUTYITJKVRM-AEFFLSMTSA-N 447.565 1.188 30 10 IDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCC(F)F)CC1 1690372097 ADAFMOOZEHLMHQ-UHFFFAOYSA-N 443.458 1.730 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690674354 XWYIINQALAMRGK-UHFFFAOYSA-N 444.483 1.830 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1690689299 BAPOISRQEBWQKS-SFHVURJKSA-N 430.534 1.537 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)C1 1690699720 IKWJEQDPHRIQDG-IRXDYDNUSA-N 439.582 1.124 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CC1 1690840193 HMYDCLCIGGWGEL-UHFFFAOYSA-N 435.532 1.888 30 10 IDEE CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1695630473 WLUJDBTYWKFGNH-RURFIKTLSA-N 432.525 1.691 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCOC1 1696646506 AUYBHPULTDMUGW-KRWDZBQOSA-N 440.504 1.236 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)C1 1696920622 YVUPUHIEPFHNQI-JOCHJYFZSA-N 435.488 1.962 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)OC)c1 1698170291 KLSITOAEXSAMMS-QAPCUYQASA-N 444.492 1.957 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1705573623 KLSRVWOKZRJDJB-RTBURBONSA-N 434.610 1.329 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1705581378 ACDFLBTZSVEFRX-KRWDZBQOSA-N 428.537 1.554 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1 1705628260 BMEQDCPZTSVNPA-GDBMZVCRSA-N 437.591 1.835 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1 1705628263 BMEQDCPZTSVNPA-ZBFHGGJFSA-N 437.591 1.835 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1705641343 BJCPERAWYVVQSZ-PMACEKPBSA-N 427.597 1.276 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](COC)OC)CC1 1705649593 BGBSNSMPTUZEJU-GOSISDBHSA-N 431.562 1.558 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705808998 YUWCTWOPHGREQT-UHFFFAOYSA-N 438.598 1.617 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1705828976 DLTZQYVIPQWLET-INIZCTEOSA-N 430.509 1.703 30 10 IDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)nc1)C1CC1 1705858809 WNPISXXYEVKXGV-UHFFFAOYSA-N 437.529 1.967 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1705876948 OSVVKKVXFVLOFK-CBGDNZLLSA-N 438.594 1.925 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@@H](O)C2)cc1 1705909596 BDXMNHMDOSNQKC-GJYPPUQNSA-N 449.577 1.709 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1705930002 CSOSJVVRFPHWJQ-UHFFFAOYSA-N 447.561 1.548 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1706074653 BVWWURDUXAGNIX-QAETUUGQSA-N 443.531 1.171 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1712329009 FZNQGCTVJLTVBZ-LQBOVUBWSA-N 427.505 1.884 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1712883731 XULRSZDVIWEGGG-BBWFWOEESA-N 448.321 1.976 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCN(CC)CC1 1722299887 UTWJKHMWJIROLI-AZUAARDMSA-N 426.613 1.871 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1722380345 JYBOWENNMJHUDK-HKBQPEDESA-N 434.525 1.968 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1722413341 LKRYNVLZUSUGRM-MRXNPFEDSA-N 444.540 1.715 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCc2nccn2C1 1722423029 XAQMNCKAAARSMW-AUSIDOKSSA-N 442.564 1.864 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1 1722457393 CGLHWNJFBIJWDB-UHFFFAOYSA-N 426.525 1.906 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1)C1CC1 1722646448 IAEGDJJOASVOHO-LLVKDONJSA-N 427.481 1.819 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC2CCOCC2)CC1 1722694217 OOAVXNMNUQMYGF-UHFFFAOYSA-N 428.537 1.697 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](COC(C)C)C1 1722695095 SIPXTQXAUNRGCF-KRWDZBQOSA-N 443.504 1.606 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722696712 DERRYQFKXFUNBQ-LSDHHAIUSA-N 444.561 1.986 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703829 JDAPHUSMGHIOGE-KBXCAEBGSA-N 447.458 1.388 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCOC2)C1 1722717425 JZERQFSMDNWPMX-JTSKRJEESA-N 430.505 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722729811 XUYGULYTZAAUEN-SFHVURJKSA-N 444.561 1.066 30 10 IDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N1CCOCC1 1723109961 GAFNWARULGEZCO-HXUWFJFHSA-N 437.548 1.500 30 10 IDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)no1 1727455976 DUZXACJACZTGHA-UHFFFAOYSA-N 436.520 1.773 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1740542702 BFGPOHRWQVTEHV-OAHLLOKOSA-N 439.501 1.382 30 10 IDEE C#CCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740597091 OIPXZCOWDLBJDD-BBWFWOEESA-N 446.552 1.413 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1740615850 MIXAIPLHVMXQIL-JKSUJKDBSA-N 439.607 1.329 30 10 IDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1740638012 FZSWOWSOAIHLQY-UHFFFAOYSA-N 429.528 1.663 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCCS2(=O)=O)CC1 1740691819 NRKSZEHOKRSAKD-UHFFFAOYSA-N 442.589 1.298 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(OC)CC1 1740985819 MJWGUSISBZRLFU-IBGZPJMESA-N 427.571 1.413 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1747370530 CJWRFKQMQAGURK-UHFFFAOYSA-N 449.563 1.737 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1748638496 QFDCCJBTGNJKAJ-IRXDYDNUSA-N 434.504 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C1CC1 1748680316 QCCLGHICJLVGPO-FQEVSTJZSA-N 449.603 1.627 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1748730984 XIULARAJPZHOAA-UHFFFAOYSA-N 447.503 1.464 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748811320 DSWLUJHZNZHXRA-KURKYZTESA-N 444.561 1.567 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1748929139 DQOSZUCBHBRSML-KRWDZBQOSA-N 449.552 1.588 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](OC)c2ccccc2)CC1 1748972967 TVAIUXCJOPEXJG-MJGOQNOKSA-N 446.577 1.031 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1748994805 RWVRWGAQUHLMHO-OAQYLSRUSA-N 438.580 1.153 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749128465 WLGPHWVRFYKCQY-RMJJICAUSA-N 444.580 1.953 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1749411594 ATXJMVGOJUBBEQ-INIZCTEOSA-N 426.587 1.549 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1749663454 FXZQGZUTRVZZFU-IBGZPJMESA-N 448.531 1.538 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)C(C)(C)C 1751930008 CYKDHFUPMCRTOZ-CQSZACIVSA-N 432.554 1.177 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1760136766 BQJFVIWJCRCWJQ-FXAWDEMLSA-N 439.582 1.420 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1760178921 GFASALBMNNEKDI-GASCZTMLSA-N 440.570 1.058 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760187266 CINPABGBLXXEMG-LAUBAEHRSA-N 431.562 1.682 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1760270005 ROICVOIIKRAKSN-QFIPXVFZSA-N 430.622 1.949 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760356249 IZGKFJVSDRLPQI-VGOFRKELSA-N 446.552 1.927 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760524725 HHPVKJYRYHHUAT-GOSISDBHSA-N 434.500 1.842 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760525947 YCFRIDVQLSBYIU-JLTOFOAXSA-N 432.550 1.320 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760557215 DRCFZSAROVUXEL-KGLIPLIRSA-N 441.554 1.665 30 10 IDEE CC(=O)NC1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760649780 HVNFKKWNQFOVIY-XUTLUUPISA-N 441.536 1.567 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1765671502 GEVDAJAREAFZAW-SFHVURJKSA-N 444.561 1.640 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1768634481 QWNKBCSLMXYJOP-WIYYLYMNSA-N 445.545 1.230 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1(C)C 1769117243 YXUIQHVWDQZQSO-WMZHIEFXSA-N 440.548 1.657 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOCCc2ccccc2)CCO1 1770746718 CCYDTKKFSMARTJ-WOJBJXKFSA-N 438.532 1.997 30 10 IDEE COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1770775804 HNWQQIJKMTVFJQ-SFHVURJKSA-N 435.488 1.460 30 10 IDEE 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C#CCNC(=O)CN1CCN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3NC(=O)OC(C)(C)C)CC1 796121117 HIGRQISZXUAFRT-FUUYNRHESA-N 446.592 1.600 30 10 IDEE N#Cc1cc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccn1 796797652 NITQRPLERZJVDS-UHFFFAOYSA-N 428.470 1.325 30 10 IDEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)Nc1cccc(I)c1 798748633 ZKFYQUSZXQCMIR-NXEZZACHSA-N 439.213 1.886 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53 800255926 FNGFHJGTMJRQEM-ZJCOVKJDSA-N 437.496 1.822 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 800773980 ORSRQOWLKSKRDA-ZNMIVQPWSA-N 425.555 1.716 30 10 IDEE CN1C(=O)c2ccc(S(=O)(=O)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2C1=O 802796726 ZBAZTXKESAQWTM-UHFFFAOYSA-N 427.413 1.460 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)Cn1nc(C[C@@H]2CCS(=O)(=O)C2)n(C)c1=S 808236114 UKGIHRVSNQYZDC-SFHVURJKSA-N 449.602 1.906 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCCN1C(=O)OC(C)(C)C 809702889 APUSUDSNTNVUSS-JOCHJYFZSA-N 429.521 1.222 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1=O 874063877 AFBDBBBNDXHKMF-SFHVURJKSA-N 445.563 1.954 30 10 IDEE CN1C(=C2C(=N)N(Cc3cccc([C@@]4(C)NC(=O)NC4=O)c3)CC2=O)N(C)c2ccccc21 1115942103 KDBONSUQVLPOII-XMMPIXPASA-N 444.495 1.901 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1125760805 IUCWTLVFJFPVRV-SFHVURJKSA-N 430.505 1.611 30 10 IDEE CC(C)(CC#N)CNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1129695449 BHOBYYOVAYRNPG-UHFFFAOYSA-N 434.518 1.825 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1133295063 HJWLHNYNKLJXDG-SJORKVTESA-N 441.488 1.889 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 1136505443 JVVIKRYWFHHJPO-INIZCTEOSA-N 432.322 1.773 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1F 1138758690 BYZICVUCTQDZJM-ACJLOTCBSA-N 439.415 1.416 30 10 IDEE C=CCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)OCC 1140926616 ZYUPRPGAULZQSL-OAHLLOKOSA-N 430.548 1.326 30 10 IDEE C[C@@H](C#N)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1148872662 YBXSXNMEYRWOIH-IPELMVKDSA-N 426.473 1.979 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc1OC 1167322344 ZCZCUMGHXSSNCY-DRGXBFSJSA-N 430.501 1.750 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C(=O)OC)c1Br 1213831641 CPGUBLLCKDSACE-UHFFFAOYSA-N 429.336 1.954 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)n1 1219952700 MLRCGTOAEVLHGR-KDURUIRLSA-N 425.493 1.354 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1286360426 GPQDQNXCKVUNNN-CVEARBPZSA-N 436.607 1.856 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1286377220 ULXDRYIVVWJYLC-SFHVURJKSA-N 431.562 1.238 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286386746 GZCQCMWBUHHPOC-MSOLQXFVSA-N 432.594 1.641 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNS(C)(=O)=O 1286401947 TXBZDKDUVOYDEI-OAHLLOKOSA-N 431.587 1.753 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(C)cc2)CC1 1286493073 DNBMVYXYMNKBQH-UHFFFAOYSA-N 448.571 1.917 30 10 IDEE C=C(C)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286599695 ZVCPBXHFADZZHL-OWCLPIDISA-N 434.541 1.576 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286790440 FDVVXTYPGJZXBR-UHFFFAOYSA-N 432.569 1.244 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1286792462 YOWIIVPKUHPUTC-QFIPXVFZSA-N 426.521 1.478 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1286964721 DKKIIPKZOHCHCT-OAHLLOKOSA-N 429.525 1.712 30 10 IDEE CC(C)CN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1=O 1287749488 ONSFUCCRPJFDTA-RJCBAWPRSA-N 443.552 1.621 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N3CCOCC3)s1)C2 1288144818 INYQQFZAYALOBF-QGZVFWFLSA-N 431.539 1.467 30 10 IDEE C=CCn1cc(C(=O)NC[C@H](O)COc2ccc(I)cc2)nn1 1294795974 TWGKODPOZDQGRM-LBPRGKRZSA-N 428.230 1.238 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1295174226 KVLBBUBPDFBSIN-SFHVURJKSA-N 430.534 1.356 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@@H](C)C1 1300267738 JHMGKZPSQSSNMK-MSOLQXFVSA-N 425.537 1.884 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300304503 PAAKQUKIKWZGIC-YJBOKZPZSA-N 426.496 1.711 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(=O)NCCC)c1 1300334519 NZTBXINECDJDDP-GOSISDBHSA-N 438.532 1.755 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1300501388 LKEFUTTYFDPGBD-MSOLQXFVSA-N 447.586 1.953 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300682777 JTUUNEYUSNVKJH-IXFSTUDKSA-N 443.523 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(OC)C2CC2)CC1 1300710997 RHQGUFRNBUKVCD-QFIPXVFZSA-N 430.553 1.197 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)[C@@H](C)CC)CC1 1300719616 IXUPXJYXYPOVLE-LPHOPBHVSA-N 427.553 1.706 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1300898511 YHBQNHULKUXVCR-XQQXVUDOSA-N 447.580 1.874 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@H](C)C1 1301497712 BFWJMLKEPGUIKW-CYBMUJFWSA-N 425.518 1.838 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCCC)C1 1301547371 YZLLMYNIEZFMHM-GOSISDBHSA-N 437.508 1.228 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC(C)(C)[C@@H]1C 1301568183 PWRMERZZNZNWOL-HNNXBMFYSA-N 448.549 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(C)c1 1301587279 YBQWLVWYZVRBGI-QGZVFWFLSA-N 447.561 1.783 30 10 IDEE COCCN(CCC#N)c1nnc(C2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301806885 WZZVFXSTAFYLKV-MSOLQXFVSA-N 436.582 1.726 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1301808599 GJFDMHMQKAOAKQ-KNQAVFIVSA-N 426.521 1.968 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@H]1C 1301887439 GSDBVNGAEDXSBM-QGZVFWFLSA-N 437.548 1.500 30 10 IDEE CC(C)(C)OC(=O)N1CCC(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1304001728 GQBJXPVTPYWYLK-JXFKEZNVSA-N 425.551 1.810 30 10 IDEE Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1304853604 VMYQICTUGIISOM-FMQUCBEESA-N 443.458 1.718 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 1310105777 QBNZXAAXNDDCSR-UHFFFAOYSA-N 433.456 1.389 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1315087212 BNBDIPLBLGJKJV-GOSISDBHSA-N 443.529 1.641 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOCC1 1316281128 GHQLIVLJKJOHRO-OALUTQOASA-N 432.569 1.854 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1358955141 FRBMXQJQHMNEFK-SFHVURJKSA-N 449.621 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359044013 RJZJHQQAFXHWMN-BCDXTJNWSA-N 437.548 1.905 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1359044646 LCZLGINKERFGQK-VQTJNVASSA-N 428.581 1.478 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1359070276 JNYPWJNRUNYXBY-DBVUQKKJSA-N 439.582 1.010 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1359105434 OPEKMRSHPDBYRC-QZTJIDSGSA-N 446.596 1.730 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359135838 PYUFQANIDVMJIG-UHFFFAOYSA-N 432.569 1.688 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359142382 GRNRAUIIEMUMGD-DLBZAZTESA-N 440.976 1.497 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359168298 OOBHPGSHRZBFIQ-NRFANRHFSA-N 443.529 1.435 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1359291208 IEWYFSIFLPFZNA-GOSISDBHSA-N 442.495 1.533 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359331752 HIMRWOOMMYMODS-INIZCTEOSA-N 430.596 1.550 30 10 IDEE Cc1noc(C[C@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1456493724 KSMAXXCKEZFEAK-OAHLLOKOSA-N 431.518 1.678 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 1464113896 RUXMSNFWFQJSHD-CALCHBBNSA-N 440.587 1.502 30 10 IDEE O=C(N[C@@H](CO)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(F)n1 1464381008 MQKQGKSDNIEJNJ-QXEWZRGKSA-N 431.308 1.901 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(c2nccc(C3CCOCC3)n2)CC1 1471369613 RFLZYBWNSZVMBI-LNVKXUELSA-N 439.516 1.993 30 10 IDEE C=CCCC[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1471892840 DMSOVPQOMSQFIA-OAHLLOKOSA-N 426.491 1.140 30 10 IDEE Cc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1492582467 IVCZCKQRLGAUKX-HXUWFJFHSA-N 435.525 1.681 30 10 IDEE COC[C@@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504615860 YQCPMSYCFZZYGH-SFHVURJKSA-N 436.495 1.842 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)(F)F)CCO1 1505323269 FBYXGHNPEVDSSN-LBPRGKRZSA-N 444.439 1.925 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507631469 PUMUYMWDLYQIRG-HKUYNNGSSA-N 429.546 1.700 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2Cc3ccccc3O2)CC1 1507718360 CQNRYNVYWNMVCL-AZUAARDMSA-N 425.533 1.761 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1507733118 OZBFAFOXTMZAFY-UHFFFAOYSA-N 432.569 1.969 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507838822 JEHJYIOJAXIOOR-IBGZPJMESA-N 444.492 1.787 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507840021 IKEANDNGLNKPHF-MRXNPFEDSA-N 442.520 1.769 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1507884685 XONXJGWVNBNGOD-KRWDZBQOSA-N 427.505 1.814 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1508079859 FNVDHBSQTGTTHC-UHFFFAOYSA-N 444.561 1.610 30 10 IDEE CC(C)Cc1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509236708 YVCFWRSFZIIGMG-VXPUYCOJSA-N 444.536 1.389 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1510815606 OWGQHAADDNAIRE-VZCXRCSSSA-N 439.520 1.903 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1O 1517687242 BOXHDWVULHUSDS-MTQWCTHYSA-N 439.516 1.992 30 10 IDEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1519343174 CKVZQZSZFMBQKE-UTKZUKDTSA-N 446.552 1.571 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1533836885 GWISCAIECKUXJC-UHFFFAOYSA-N 425.464 1.795 30 10 IDEE C=CCN(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)[C@H](Cc1ccccc1)C(=O)OCC 1538618430 JPVMWPMWXJWYEY-FUHWJXTLSA-N 427.461 1.189 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539078295 XKLQUKPGAXVPLS-UHFFFAOYSA-N 429.594 1.648 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1539124596 HAGAOAUILOOSDY-DLBZAZTESA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCNC(=O)c2occc2C)CC1 1539444068 FDCAPCPYPIDHKS-UHFFFAOYSA-N 435.532 1.760 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](COC)OC)CC1 1539477570 RCUSXQYIPHFCBM-GOSISDBHSA-N 426.521 1.276 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539966233 HPJPBTRQOMXGAG-INIZCTEOSA-N 449.556 1.792 30 10 IDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)cc1 1540370684 ZQNPYJXTVWXDJZ-UHFFFAOYSA-N 426.494 1.991 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1540871100 DMPQINILUVSQLX-HNNXBMFYSA-N 430.534 1.108 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 1540876415 QFLONYCUHSPKRX-HOTGVXAUSA-N 434.541 1.877 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1540877400 UDDWWYFCMIOOOV-KRWDZBQOSA-N 447.561 1.653 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1542224922 WNKWHCASQGEVDL-MGPUTAFESA-N 449.556 1.753 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)c1 1545998066 BSPRXYLRGDAPIW-UHFFFAOYSA-N 440.568 1.562 30 10 IDEE CCc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cs1 1546371842 AZKACGRCSGMYIZ-UKRRQHHQSA-N 436.563 1.171 30 10 IDEE CCS(=O)(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1548334228 DSNWWFIICKWLPK-QGZVFWFLSA-N 437.614 1.373 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2ncc(-c3ccc(Br)cc3)o2)c(=O)n1CCO 1559457073 ZGSRAQVYLMZRHO-UHFFFAOYSA-N 431.246 1.648 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)Cc1ccc(F)cc1C 1564978387 UWRSQEZSNBHRJI-LJQANCHMSA-N 438.507 1.837 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1587979047 HJQXIQWYUGUYRU-QGZVFWFLSA-N 434.548 1.689 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1588200312 LERFQNPYKZOGIZ-WIYYLYMNSA-N 430.516 1.935 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1588612262 CRWBOPJZZQYBHL-UHFFFAOYSA-N 449.602 1.410 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCOC2)CC1 1588761962 CRAJGGVTOYGAGD-UHFFFAOYSA-N 441.557 1.451 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1588876710 GGUJSGQPOXAJLP-QFIPXVFZSA-N 438.576 1.471 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1588891736 SQDMTHNYRHVQGZ-GOSISDBHSA-N 430.553 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCc2nc(C)no2)CC1 1588954699 KWGZUPFOXLEUCH-UHFFFAOYSA-N 448.531 1.554 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1593747543 YNFVNJDURKGEQK-QGZVFWFLSA-N 436.582 1.760 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1)C(C)C 1595171285 SGGSAAHHAQAARR-MSOLQXFVSA-N 434.610 1.497 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595555508 APZJOPDTRRDISL-HUUCEWRRSA-N 435.475 1.689 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1596101795 DGGWWSOXPVFPFH-UHFFFAOYSA-N 433.520 1.637 30 10 IDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1608152354 JBOARQHNQZPKFE-LEWJYISDSA-N 440.548 1.799 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCC(=O)Nc1ccccc1 1611658421 CUWCJRZIPAPNJZ-GJZGRUSLSA-N 433.538 1.655 30 10 IDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1618521142 IAWFHGMVDYFACL-QILLFSRXSA-N 435.908 1.437 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CCOC)c2)C1 1618632888 GOWNMBTZVFHXAF-FQEVSTJZSA-N 448.531 1.670 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1620354420 DRGGYSUMOWNKNW-GJZGRUSLSA-N 429.868 1.315 30 10 IDEE CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1621935309 FCJRJIIPSUFTEJ-UHFFFAOYSA-N 427.317 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)CC[C@H]32)CC1 1629918499 HSSUYNCHVSJLGW-ZWKOTPCHSA-N 442.520 1.894 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)nn1 1634470853 QGXNHJXTGFEYOZ-INIZCTEOSA-N 432.525 1.538 30 10 IDEE N#C[C@H](CO)NC(=O)CCCc1nnc(-c2ccccc2I)o1 1636604949 HFUOTVNVBCPIAN-SNVBAGLBSA-N 426.214 1.665 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636692237 WEYKCSRZPYFRLD-QVFKTBPPSA-N 433.530 1.289 30 10 IDEE C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)N1CC(F)(F)F 1636844923 VLMANINTLMSTMU-OKILXGFUSA-N 446.495 1.989 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 1638344780 FTBIKZMSYMESAC-GOEBONIOSA-N 446.451 1.684 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)cc1 1638473865 DOIPGKIRCZJWCP-UHFFFAOYSA-N 427.530 1.509 30 10 IDEE CCOC(=O)C[C@@H](CO)NC(=O)COc1c(Br)cc(C#N)cc1OCC 1641745917 NYKFIRSTYFACGA-LBPRGKRZSA-N 429.267 1.529 30 10 IDEE COCCO[C@H]1C[C@H](CO)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1642934194 XEYGWMLLJFRJDE-HKUYNNGSSA-N 428.451 1.519 30 10 IDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@H](O)c1cccc(C#N)c1 1643725692 JSNKFQZYIRRMDN-YWZLYKJASA-N 430.530 1.801 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](n3ccnn3)CC2)CC1 1643996287 UCUUOPPUVDRTAF-RTWAWAEBSA-N 425.512 1.853 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)CC1 1658603491 NKHOPGQQKKLIQD-UHFFFAOYSA-N 434.440 1.553 30 10 IDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1665174764 JSGOXLHGWUZVEM-IXDOHACOSA-N 430.592 1.959 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](CO)Cc1cccc(Br)c1C 1670882057 BPXRWUCMFSGIRC-CQSZACIVSA-N 433.368 1.809 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1673802660 KDXOERVEJDQJHN-XHSDSOJGSA-N 431.555 1.301 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CCN1Cc1ccccc1 1675409630 LTJVMTJNPQMTCR-NRFANRHFSA-N 446.511 1.658 30 10 IDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1681942152 IRELWCISBFSIML-LJQANCHMSA-N 431.562 1.932 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cn1)C2 1683797920 KIBBTBNTWVXBHN-MRXNPFEDSA-N 428.290 1.912 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N2CCOCC2)CCSC1 1689860845 ISOBBRNXWCWQQU-UWJYYQICSA-N 432.594 1.066 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689987943 GEAIGEVZXSWZEC-RBUKOAKNSA-N 448.593 1.757 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689993495 FMAKBVQLBUSVOK-SJLPKXTDSA-N 434.587 1.984 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCN(C)CC1 1689999805 IPNTVOICHWWLJB-UHFFFAOYSA-N 437.573 1.826 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCS(C)(=O)=O)CC1 1690115139 UIOILUPPGKKLAC-UHFFFAOYSA-N 439.488 1.346 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOCc2ccccc2)CC1 1690122110 GNBMAZXFPGJJEY-OAQYLSRUSA-N 436.560 1.981 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690310226 XXTCIIFBHUGZHD-UHFFFAOYSA-N 427.553 1.451 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690467326 STUVQBCPXMIFQK-UHFFFAOYSA-N 443.596 1.501 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1690497612 VFKOHSVHXITUIW-ZDUSSCGKSA-N 448.387 1.970 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1690527979 VUVCLNUHQYDCDF-CQSZACIVSA-N 426.930 1.330 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690668761 IEDKYMXTPHOEPH-MRXNPFEDSA-N 434.504 1.100 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690673087 NVZUMMLEMXLLAW-IBGZPJMESA-N 449.563 1.691 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)C1 1690699718 IKWJEQDPHRIQDG-DLBZAZTESA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690715040 BIXNWBBFASNFAE-OXJNMPFZSA-N 436.582 1.878 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690851337 XRLRTEFYHKUUAN-HNENSFHCSA-N 429.525 1.062 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693759686 LYURXJMNYXGKNA-JQNKKJJZSA-N 444.536 1.702 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695894113 CMTKFNLNVFKBSY-UXHICEINSA-N 431.585 1.319 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cn[nH]c2)CC1 1698106769 FREGCYORTBNPNJ-UHFFFAOYSA-N 448.531 1.762 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1698155787 LPBYKDIVJJSODE-IGGDJGDASA-N 432.525 1.909 30 10 IDEE COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698224759 LSSGQIDLZLRCEH-IBGZPJMESA-N 441.536 1.428 30 10 IDEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCC1 1698365237 CRBFUFURRSMMAI-CABCVRRESA-N 442.611 1.493 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(F)(F)F)CCO1 1698492747 FVCRIUGAJLHTSP-OAHLLOKOSA-N 433.398 1.992 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1705560789 NLKUNRFXIBKSAT-GCJKJVERSA-N 428.558 1.862 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705741353 NGGKSDRNZOJDCJ-QGZVFWFLSA-N 427.571 1.488 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1705800469 YFZOTBRYDMJLGV-QGZVFWFLSA-N 440.614 1.546 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705889701 XYVDQNGVWUNHHT-UHFFFAOYSA-N 429.525 1.182 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](C)[C@H]1C 1705898465 MOCQPLBNAHGAME-CABCVRRESA-N 439.549 1.553 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705931960 GMYONTBGKDGYER-MRXNPFEDSA-N 435.550 1.648 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705964505 LOSGGXYDQOPATG-SGRLSNSRSA-N 441.536 1.062 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1706075226 KYISIDDDFUJRGL-MAUKXSAKSA-N 439.520 1.031 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOCC1CCOCC1 1707911033 ATVDVUKTQCRKJH-QGZVFWFLSA-N 440.552 1.797 30 10 IDEE CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1709577719 VTEYICITPFBDDB-SFHVURJKSA-N 443.577 1.964 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(O)CCOCC1 1712563543 ZCYLFOWPIJYCFB-HKUYNNGSSA-N 448.568 1.110 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=C(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1712633404 RGXSLRMGNVDGGM-JCXSCKIOSA-N 442.520 1.685 30 10 IDEE C#CCN(c1nnc(C)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722365879 PWGDXVVBHPZMEK-AWEZNQCLSA-N 447.508 1.373 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1722390858 GJWCPULEBKIEGM-DEOSSOPVSA-N 435.528 1.801 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722456078 OVYASBJZEXSSQQ-UHFFFAOYSA-N 437.573 1.441 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1722509375 XDQMCLRIIGGGEC-AZUAARDMSA-N 426.521 1.616 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722701411 PCRAITLDBYMDFQ-HNNXBMFYSA-N 428.541 1.361 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC=CCO1 1723611831 DELRSRXQKHBVMY-GOSISDBHSA-N 436.520 1.355 30 10 IDEE Cc1csc(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)n1 1725053009 RZMOKQHVIMWHCV-MRXNPFEDSA-N 429.550 1.917 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1726751454 FLPQBKULHMHOLS-MRXNPFEDSA-N 432.550 1.018 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726968009 XEDKHZOMZKSGIE-FKQWUUPDSA-N 429.525 1.410 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)CCN2C1=O 1728527515 SBAHCPUMNDINPK-AWEZNQCLSA-N 433.394 1.852 30 10 IDEE Cn1cc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cn1 1729572567 ZIZJOHCCXWBOQJ-KRWDZBQOSA-N 429.506 1.595 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1)OC 1730466590 CPYBRQOJUPUYTE-LJQANCHMSA-N 426.521 1.960 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCSC1 1740545891 DGWBWAWVRMZBPV-IFXJQAMLSA-N 434.591 1.564 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740565323 RLJBFWJPXKUVJL-UHFFFAOYSA-N 443.596 1.354 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1740622942 LELFDVOPTOIOCD-RTBURBONSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740625475 FVOLSGFCEGTPIX-ZCNNSNEGSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)C)n1 1740631863 VTTUTMJKDPMXCV-OAHLLOKOSA-N 434.591 1.784 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(S(C)(=O)=O)cc2)n1 1740688508 WDBQGLYXWOOAAI-UHFFFAOYSA-N 442.545 1.521 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1740696927 LFKZIOVHKWTCTB-UHFFFAOYSA-N 433.491 1.305 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1)C1CC1 1740909807 AFPATNROLRCIRW-APWZRJJASA-N 425.555 1.335 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1740957780 AOMPHROEPZSIQW-RBUKOAKNSA-N 443.596 1.480 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1740959863 GENYBSPMYZGKCK-RCCFBDPRSA-N 432.569 1.605 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)C1 1740979544 KHWSPRRLPGZJKW-PBHICJAKSA-N 429.525 1.363 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1741129544 FBDBUTAUNVPGNE-SWLSCSKDSA-N 427.900 1.764 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1741150449 ALRZAKIZSOVZBE-ZWKOTPCHSA-N 435.532 1.694 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741303729 BJSDVSNVEWSMQU-PGRDOPGGSA-N 425.537 1.782 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccc(C(=O)NC)c1 1744646641 RYFBKKFJDCBSRL-UHFFFAOYSA-N 431.500 1.978 30 10 IDEE CCCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1745678418 JBLWGNLCSFSYAG-KXBFYZLASA-N 441.577 1.452 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1748690221 OWFRNXPNKBAELB-HCROLABASA-N 430.553 1.985 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC(C)C 1748848346 BSOYZALFAZACIT-UHFFFAOYSA-N 435.500 1.548 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1748858037 KMDJTNXBOZXVHQ-GOSISDBHSA-N 447.948 1.386 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1748863766 GPKLFJWUGLMJDL-LLUDDFSJSA-N 437.569 1.937 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N(C)C 1748943683 CJQXKHOTCGLPOQ-UHFFFAOYSA-N 444.536 1.954 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)CCOC 1748944741 CVUMUMXALASQML-GCJKJVERSA-N 429.496 1.796 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2sc(C)nc2C)CC1 1749010024 ZQLZKYIICOLLFV-UHFFFAOYSA-N 438.561 1.766 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749140398 OQGMZQHKJGGQFJ-NUJGCVRESA-N 444.540 1.328 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(NC(C)=O)CC1 1749677364 XDCDPOWEUJLSEX-UHFFFAOYSA-N 440.548 1.479 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749677902 OHIQHOIRLAIIQG-SFHVURJKSA-N 442.568 1.135 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1749721248 FAFZZXMUROAICC-RDJZCZTQSA-N 437.566 1.119 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749741189 SKTBDEPFMHBUOA-HXUWFJFHSA-N 443.533 1.876 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCN(C)C(C)(C)C1 1750117921 JAGNGSASDPAIGS-FHWLQOOXSA-N 433.601 1.624 30 10 IDEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccco1 1751244710 CVTAJSFWMVFBOJ-UZLBHIALSA-N 433.534 1.811 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1760152685 VOMYRVKATGXHAL-MRXNPFEDSA-N 433.516 1.755 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760184511 XWHVISCEWJBBKU-QGZVFWFLSA-N 435.594 1.651 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760189231 GRAZPADWMXYFCW-RBUKOAKNSA-N 443.573 1.706 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCS(=O)(=O)C1 1760299202 MFAOTYPYOORWII-OEMYIYORSA-N 436.578 1.819 30 10 IDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760305231 WZJPNDQVJMFWBZ-CQSZACIVSA-N 446.309 1.721 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@H]2CO)CC1 1760382788 YFPCARFMNCMUAJ-ROUUACIJSA-N 440.614 1.282 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCN(CC)CC1 1760457238 KIOAUPRPMYJAMP-SFHVURJKSA-N 446.621 1.997 30 10 IDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760471335 SQAYVSHVCJLSAF-FQEVSTJZSA-N 440.566 1.025 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760526732 GKPMIUSGNPINFV-NRFANRHFSA-N 443.640 1.918 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)C1 1760534788 GHAPKKRUCKXRQS-WBVHZDCISA-N 445.549 1.366 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760556774 PQYQTECZXSMGMC-IEBWSBKVSA-N 430.578 1.538 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1760557832 XGFSFSXDOXXMBH-GOSISDBHSA-N 431.518 1.229 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1765872794 RFUMYNHNCPVTEG-OEAGWNGGSA-N 444.536 1.693 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1766819814 PMCIQNKRFPQDFE-ZJYNUGOYSA-N 425.493 1.805 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C1 1771251900 CBYHTZRALHTZDW-NQIIRXRSSA-N 440.548 1.779 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1772567322 OSAMQKJRTHTGQQ-LJQANCHMSA-N 446.596 1.949 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1772889329 ZUKJFDFFEWODCG-FRTACKCFSA-N 441.532 1.987 30 10 IDEE C[C@H](Cn1cnc2c1CCCC2)C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1852760787 YETKNLQONHCXNC-MRXNPFEDSA-N 432.532 1.927 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 1853570536 GKGPGIZCZAKBIF-UHFFFAOYSA-N 448.520 1.694 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@@H](C)NCCn3nnc4ccccc4c3=O)C2)CC1 1853572699 OEKIHNHTFPJJMI-SJORKVTESA-N 431.562 1.530 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C(C)C 1854401920 WPWVCFKEAZOMOK-GOSISDBHSA-N 433.530 1.556 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H]2COc3ccccc32)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854627801 VDXUUZCHWOXQGY-KBXCAEBGSA-N 425.466 1.482 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN(C[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1855043376 CQKDGPQDJIOVOJ-YLJYHZDGSA-N 429.542 1.694 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2Cl)C1 1858334106 BSGYVFREIFNNDR-CQSZACIVSA-N 425.919 1.953 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)nc1C 1866239123 DVHPGSKZWGOZRC-LLVKDONJSA-N 426.495 1.892 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1871010742 RAKWFJMXSQWEAD-UHFFFAOYSA-N 429.473 1.634 30 10 IDEE C=CCN=c1nc(N2CCN(CC)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564008 RLVKRLAGYROUCM-UHFFFAOYSA-N 429.525 1.225 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 1984940673 MIRZPVKRPJTUCV-PMPSAXMXSA-N 425.526 1.780 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987539624 VRLDSKXYVSUJQJ-JYJNAYRXSA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C1 2006262866 IWLXIMOTKHEVNV-ZDUSSCGKSA-N 427.361 1.919 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060627331 IAHCJONJHNPNAA-AWEZNQCLSA-N 434.302 1.350 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2136172796 PFERRGNOPRJFLD-MELADBBJSA-N 426.267 1.600 30 10 IDEE Cc1cc(C#CCCO)c(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s1 2229365180 MEZCXYWQXPYIQX-UHFFFAOYSA-N 432.523 1.506 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(C#CCO)c(F)c1F 2239845849 ZXQCESNWDOIJLC-UHFFFAOYSA-N 434.420 1.737 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(CC#N)Cc1ccccc1)NC(=O)OCc1ccccc1 2241758139 SFYMPSUMYDOTKZ-LJQANCHMSA-N 445.497 1.810 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247921601 RJBYWJVUSOMUJR-UHFFFAOYSA-N 441.359 1.402 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2255615362 KEPONKGKCWZTGB-VHDGCEQUSA-N 432.330 1.837 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255647375 XUSMVAPECYPPJP-UKRRQHHQSA-N 432.330 1.761 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255694862 VBZYSQWTBRQXQJ-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE Cc1ccc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255873515 LFIWDVGKKPCLLF-INIZCTEOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2267267807 ZMGDFWFFCWELOY-DLBZAZTESA-N 447.341 1.481 30 10 IDEE COCC1(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267275725 RLXXULRLKHYJLK-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267589971 ILLBIWFCTUBNJX-WBVHZDCISA-N 449.357 1.517 30 10 IDEE Cc1nc(NC(=O)[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268697510 OEJZMLWJNSNNTJ-DZGCQCFKSA-N 448.329 1.562 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2272649782 FNZOSEWPYCLMAG-FPTDNZKUSA-N 444.341 1.763 30 10 IDEE CCC1(C#N)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286039587 GILYPOGYQRHFSP-QGZVFWFLSA-N 437.518 1.800 30 10 IDEE CCOC(=O)N1CCN(CC2=CC(C)(C)N3C(=O)C(=NNC(=N)N)c4cccc2c43)CC1 2297710828 XJRGNMFYTMZBDT-UHFFFAOYSA-N 439.520 1.170 30 10 IDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 2327828286 OXUHVDFRUXFVLG-ZDUSSCGKSA-N 446.533 1.566 30 10 IDEE CCOc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 2329021211 GVPYVHXMLOCIBL-CQSZACIVSA-N 446.533 1.566 30 10 IDEE CC(C)[C@@H]1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OCc1ccccc1 2370879634 VLWOAQAYYINXRT-JQVVWYNYSA-N 436.574 1.939 30 10 IDEE C=CCNS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 32608290 LIRJNEMAYAIKJE-UHFFFAOYSA-N 435.527 1.844 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cccc(Cl)c1 72444330 VYMGTMLUQHMNSX-CABCVRRESA-N 441.875 1.990 30 10 IDEE CCn1c(=O)c(C(=O)CN(CCC#N)Cc2ccco2)c(N)n(Cc2ccccc2)c1=O 98072232 PELZCOGCATWNKT-UHFFFAOYSA-N 435.484 1.852 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2c(N)cc(Br)cc2Br)CCO1 123262042 RJEVWRMMPNUHEV-QMMMGPOBSA-N 425.102 1.707 30 10 IDEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253566218 IRHGXGBBLVKTCC-GIDUJCDVSA-N 438.382 1.432 30 10 IDEE COc1ccc(OC)c(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254625939 XLYPMEZEIRYZNL-DZGCQCFKSA-N 442.515 1.560 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 460583435 KTASOQKRABFJKB-SFHVURJKSA-N 447.609 1.554 30 10 IDEE CC[C@H](CO)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 464768640 IDLILXMSLBKHAQ-MOPGFXCFSA-N 443.592 1.745 30 10 IDEE Cc1ccc2nc(CNC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[nH]c2c1 484105672 KSOYWUFHNFJWKH-GOSISDBHSA-N 430.468 1.277 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC(CC(=O)N3CCC(N(C)C)CC3)CC2)cc1C#N 489262226 UWVVTGFFSOIKIA-UHFFFAOYSA-N 433.578 1.605 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1C#N 489286558 FWXIISOHBCDMNE-UHFFFAOYSA-N 431.493 1.137 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(F)c1 502036387 XTMFUROXZVNSLI-IRXDYDNUSA-N 446.479 1.714 30 10 IDEE COc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 545509987 LDTILKVWYNAQRV-FQEVSTJZSA-N 434.500 1.595 30 10 IDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 546769772 VZHOUEHLMRULLG-UHFFFAOYSA-N 431.502 1.688 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)n1 546875947 SJIMHLFHBODLLE-UHFFFAOYSA-N 440.529 1.098 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=C)C)CC1 549214915 ZJZTVBNVFOOLKP-UHFFFAOYSA-N 435.532 1.729 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCc4nc[nH]c4C3)nnc12 552536707 RIDOLWYTEDJFAE-CYBMUJFWSA-N 435.513 1.719 30 10 IDEE COC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc1C1CC1 581173348 ACIKMYIFZZKHJU-UHFFFAOYSA-N 428.470 1.212 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1=O 589703816 GBCYWNJKFVNIDQ-KRWDZBQOSA-N 444.875 1.591 30 10 IDEE COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(C#N)cc2F)cc1 611643071 GHQGLNRQMSZBJN-BEFAXECRSA-N 433.461 1.146 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC1 611791916 HLIVLMYDNICPAZ-UHFFFAOYSA-N 429.471 1.699 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730140810 YAFQNYPLWVCRKZ-MRXNPFEDSA-N 441.504 1.100 30 10 IDEE CNC(=O)c1cccc(CCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 751878470 KIIPIGTUFWSFAR-UHFFFAOYSA-N 439.472 1.039 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 751925092 PYUGUTJWJKKANC-ABAIWWIYSA-N 441.504 1.099 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([C@H](CC)CO)CC1 759630225 AFGOMSLGTVECOJ-AEFFLSMTSA-N 436.578 1.199 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1Cl 760773275 MDCULACYBASHKW-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(C(=O)O)cc2Cl)CC1 783846093 MKWPARBBNBTNME-UHFFFAOYSA-N 437.909 1.815 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)n1 789037394 LWPHHLFFRZEXEQ-NZQKXSOJSA-N 439.560 1.964 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790280483 CRCKCBXTXNQKOD-IBGZPJMESA-N 430.571 1.283 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(CC=C)CCCN2C(=O)OC(C)(C)C)CC1 790592370 VUPZSPXNMQPWFA-HSZRJFAPSA-N 432.565 1.616 30 10 IDEE C=CCCCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 790970998 CMBOSCXLDGLJSW-UHFFFAOYSA-N 430.477 1.382 30 10 IDEE CCOC(=O)C1(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCOCC1 802825003 IMWOHZBNSKTWQQ-UHFFFAOYSA-N 445.291 1.486 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 812177344 DCEIFQIQGMGZDH-HZPDHXFCSA-N 447.540 1.376 30 10 IDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812420181 UYDCQJOZRHVJEO-YJBOKZPZSA-N 445.501 1.517 30 10 IDEE CC(C)CN(C(=O)COC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 815476694 HLPBSCMBHAKRBZ-CQSZACIVSA-N 447.435 1.801 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1OC 1084447837 GXEXOQYSJLDQMH-UHFFFAOYSA-N 441.517 1.864 30 10 IDEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCC(N)=O)n[nH]1 1084553158 YLZYUYRWUKHTAD-UHFFFAOYSA-N 441.521 1.159 30 10 IDEE C#CCN(C(=O)c1ccc(I)cc1OC)[C@H]1CCS(=O)(=O)C1 1125883957 PVMPOAWEPFMFJY-LBPRGKRZSA-N 433.267 1.562 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1154867709 VGEYPGYLBJROPC-AEFFLSMTSA-N 440.500 1.102 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)c1 1157125584 VVQIVDQCCXTOFR-UHFFFAOYSA-N 435.527 1.409 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 1192976659 QMUSOQAPGAMJJY-UHFFFAOYSA-N 447.330 1.002 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 1212135978 FKBKQMUFZPHGKS-AWEZNQCLSA-N 434.923 1.341 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)C1 1248682298 VZMNJJJTXJSHTD-DLBZAZTESA-N 428.537 1.671 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCCNS(=O)(=O)Cc1ccon1 1266782181 BAPGEMWEMRBJGW-UHFFFAOYSA-N 427.280 1.087 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286322472 FIEMYHYXINDRHB-RBUKOAKNSA-N 449.621 1.673 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286355277 JOIRMOXDBNSZOJ-SFHVURJKSA-N 448.531 1.845 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1286390051 VWGZXBLSIXOMKK-MRXNPFEDSA-N 430.559 1.724 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1286412822 DZMZANCOVLPJQI-LJQANCHMSA-N 427.530 1.571 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1286431006 LVEIYUXBGIIQLI-IBGZPJMESA-N 440.525 1.831 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1286448167 QOGCFKAZAWJWIH-PXNSSMCTSA-N 439.516 1.745 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286477228 SJEIBYIJLKFFLR-QFIPXVFZSA-N 437.592 1.761 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccsc2)N(C)C)CC1 1286483709 VMPMZFQBIPNQDM-IBGZPJMESA-N 441.605 1.520 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NC)c2)CC1 1286637307 BEJWDUXWKVLHKK-OAHLLOKOSA-N 432.550 1.453 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286787200 CGAHNAJHQXTLKO-IBGZPJMESA-N 444.580 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCCO1 1286814291 OZFJMDYZWUVRQN-INIZCTEOSA-N 425.555 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286820042 CLZACMIUKXTCCA-QGZVFWFLSA-N 439.582 1.078 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCC2)C1 1286820493 MIQXCJBPFFBPQN-HNNXBMFYSA-N 428.580 1.161 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC)C1 1286820727 PYYSUFNEQBEOLX-HZPDHXFCSA-N 430.596 1.407 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1287821797 CAQPQNCBFVJLQE-DOTOQJQBSA-N 433.534 1.944 30 10 IDEE CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1288200818 WCKFDFKPEQQNBK-CEXWTWQISA-N 435.532 1.887 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1290860512 BYOHPMGGMOPUOX-ZFWWWQNUSA-N 438.937 1.352 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1291189458 BIQHUQAXXSJCNV-JGVYIQDASA-N 426.546 1.785 30 10 IDEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1297934111 YTVZGFXKXDAYMS-GOSISDBHSA-N 444.561 1.823 30 10 IDEE CN(C)S(=O)(=O)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1298105789 YESLSZQXWUKVHZ-UHFFFAOYSA-N 433.538 1.002 30 10 IDEE CC1(C)[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCOCC1 1300189471 SMFKZUUVPSVUQX-IPMKNSEASA-N 439.516 1.379 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCCC1 1300281176 BMPSBIDVPJRQGA-HNNXBMFYSA-N 429.546 1.852 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300502867 YWEDTDFUEDMTGR-HXUWFJFHSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1300509234 HTLFDUKYJZSQBO-HOTGVXAUSA-N 433.509 1.568 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1300540736 CUHMPLVBKSNJEE-UHFFFAOYSA-N 434.525 1.227 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC1(C(N)=O)CCOCC1 1300590432 AYYXPBOLABOJLP-UHFFFAOYSA-N 435.528 1.911 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(CS(C)(=O)=O)CC2)CC1 1300712914 XZIIWVQXJDSSNB-MRXNPFEDSA-N 435.594 1.582 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC[C@@H]1C 1300812425 VCWRMEMCJQLWNY-LPHOPBHVSA-N 447.561 1.739 30 10 IDEE COC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1301026385 LWQDRXCPRLEONX-IRXDYDNUSA-N 446.502 1.985 30 10 IDEE CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)ccc21 1301212259 BUHHYDFNSNKRDQ-UHFFFAOYSA-N 439.472 1.938 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1301951579 BLVRKARZFPTUGX-CYBMUJFWSA-N 427.900 1.634 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[C@@H](O)C2)cc1 1302993933 HRDBZMXRALHKJC-GBESFXJTSA-N 438.532 1.982 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)CC1 1303000480 GMWCMMUZRMESHA-GOSISDBHSA-N 437.504 1.495 30 10 IDEE N#Cc1ccc(Br)cc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1306931506 YJBCIRNBYDKXGS-UHFFFAOYSA-N 439.291 1.524 30 10 IDEE CCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314490361 OSGXDJXNDRIWAT-UHFFFAOYSA-N 435.536 1.770 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1314561408 BXFMPXOLSCKGSV-MRXNPFEDSA-N 448.549 1.283 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1314635461 DCHMVEHUKJQBJR-UHFFFAOYSA-N 437.548 1.990 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)nc2)C1 1316527697 ODPTXMQJXPVNLX-LJQANCHMSA-N 426.843 1.978 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCOCC1 1316566843 BJAWLRBZSWIQDE-HTXNQAPBSA-N 443.895 1.747 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F 1358886002 VTDQQVDEAXQIPM-GFCCVEGCSA-N 439.492 1.077 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1358914859 KANRBDMJPKOYNO-UHFFFAOYSA-N 429.594 1.695 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1358968283 FVORTJDYFUMEOP-UHFFFAOYSA-N 448.508 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCNC(=O)C(C)C)CC1 1359042747 RWMJDVPXBYCPGT-UHFFFAOYSA-N 440.548 1.975 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359090097 UQKKNBQOKGJYJM-FHWLQOOXSA-N 432.569 1.750 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359221627 IKJBFRXMWKPQPH-HTAPYJJXSA-N 442.520 1.902 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1359281944 NNGSTPCACBYTBQ-CABCVRRESA-N 432.637 1.668 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1359300620 GTJPCCCLPWAEIN-GOEBONIOSA-N 433.534 1.385 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1359304656 FFSHYVWQDYYRSV-GOSISDBHSA-N 440.548 1.842 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1359305015 QRLBNAIBHCTEBB-JKSUJKDBSA-N 436.557 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359329858 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1.696 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1539239134 IFFJXMMLPHPYSK-OAHLLOKOSA-N 432.525 1.215 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1539396958 VRUGJZGVFMDNIF-IAGOWNOFSA-N 449.581 1.057 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCOCC2)CC1 1539437448 ALWIHQNHVCOGKE-UHFFFAOYSA-N 440.504 1.540 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN(C)S(=O)(=O)CC 1539533410 PULGBMYREQNUDZ-HXUWFJFHSA-N 436.582 1.178 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1539967844 VBXRHULEIDGHQF-MSOLQXFVSA-N 441.598 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540907329 SPLZOADZSBBBCA-LJQANCHMSA-N 443.573 1.475 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540916304 VLFDCKFPWMEWGR-MRXNPFEDSA-N 443.639 1.952 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCOCC2)cc1 1541657399 JLWALGGABKEQFT-JOCHJYFZSA-N 441.511 1.743 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1554320985 XEOQPGQLFIRJJV-RTBURBONSA-N 444.561 1.856 30 10 IDEE COC[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555372492 BWFORLAQZVGWQC-QBEKEKFNSA-N 437.504 1.263 30 10 IDEE C=CCOC[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1556375493 KUTSKDHDFFKSPT-IBGZPJMESA-N 449.529 1.275 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1561866567 MTYLNXXODGYDKQ-OALUTQOASA-N 436.530 1.202 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1)c1cc[nH]n1 1570297283 CMUWNTPAUVOBHY-NRFANRHFSA-N 426.429 1.330 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)Cc2ccccc2C1 1585660264 HYGTWIPIHIGOEQ-LAUBAEHRSA-N 445.541 1.445 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 1588199085 HGIAULLRQHWOPI-UHFFFAOYSA-N 444.991 1.679 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1588673486 PJEPNXJNBWDLMO-XMSQKQJNSA-N 431.537 1.215 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)CC1 1588791007 KJHACWOVKOIVGE-QHCPKHFHSA-N 447.587 1.809 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1589042665 JVMOMYYKUBDMMZ-UHFFFAOYSA-N 449.602 1.792 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1589135224 VIJQROFGVCUVHI-ZCNNSNEGSA-N 449.621 1.670 30 10 IDEE C=CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1594625925 IJPCLFQWDQBOLW-MRXNPFEDSA-N 434.541 1.879 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1594797815 IGGBPHJURYNXTA-UHFFFAOYSA-N 449.533 1.348 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1595529666 CHXNFHLWLWDBAT-OAHLLOKOSA-N 439.524 1.404 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCC)C1 1595728840 GPBDNSIKHALOPQ-FHWLQOOXSA-N 437.610 1.836 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)C1 1595730035 SIYRDTGEEICUSQ-MSOLQXFVSA-N 441.598 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595773198 UASDPHHVTDASOC-OAQYLSRUSA-N 442.545 1.380 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc(-c3cccc(C#N)c3)no1)CCS2(=O)=O 1616811286 UFBHZBVJHKBFLA-TZQQIIETSA-N 443.481 1.842 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C2OCCO2)c1 1620025695 RHZQJHMVUHTENJ-VQIMIIECSA-N 443.504 1.825 30 10 IDEE COCCOC1(Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1620036414 VYFXPSGZQQJUJN-FQEVSTJZSA-N 430.484 1.994 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOCC(F)F)cc1 1620350367 FBDILCUCOGCYAM-UHFFFAOYSA-N 425.461 1.723 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(COCCO)CC2)n(-c2cccc(F)c2)c1C 1620594024 FGRDDMXCCRQZAA-UHFFFAOYSA-N 444.507 1.879 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)NCC#N 1627533077 LZRHSABVBIVEIS-ZMSDIMECSA-N 434.518 1.535 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1B1OC(C)(C)C(C)(C)O1 1628739774 BNWYXTJVQMIIRR-IVZQSRNASA-N 427.310 1.402 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1630765455 DSLUFPLSOCZGMS-LJQANCHMSA-N 441.532 1.944 30 10 IDEE Cc1ccc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1636131134 KQAXROSGYCXDMC-FQEVSTJZSA-N 441.381 1.719 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1637180611 KWVKHQIEXXQCQC-QGZVFWFLSA-N 444.536 1.036 30 10 IDEE C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H](O)CN(C)C(=O)OC(C)(C)C 1638203266 LQYDOEBQEFZNPD-CAOSSQGBSA-N 440.541 1.726 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)Cc3ccccc3S(N)(=O)=O)n[nH]2)c1C 1641412062 YXTBFZFTZSKTPG-UHFFFAOYSA-N 428.518 1.996 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2C[C@@H]21 1646092666 FVRSMPQZXJQEQC-CVEARBPZSA-N 448.545 1.726 30 10 IDEE CCN(CCC(=O)N(C)CCC#N)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1647785039 ZPGKCHMSURUETL-SFHVURJKSA-N 437.585 1.928 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1658661218 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VCYIHGSOCAGACN-GDBMZVCRSA-N 447.565 1.946 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689989443 FPAVPEZQVVVGHH-IERDGZPVSA-N 434.562 1.994 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1690006045 HSDRCQKDTZPDAR-HXUWFJFHSA-N 428.334 1.847 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(-n2cccn2)c1 1690029514 DLAGVOFCQJNFPM-FPOVZHCZSA-N 431.500 1.704 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690137028 MOORAFIHHZMTSN-KDURUIRLSA-N 430.597 1.867 30 10 IDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1690428295 LRPYHHMXUSNIJI-UHFFFAOYSA-N 444.536 1.903 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690485103 LQMVXSHHRYPPNA-WBVHZDCISA-N 449.581 1.721 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCS1 1692538735 GPVQESPQHBTOHQ-KRWDZBQOSA-N 440.577 1.905 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1694608302 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442.564 1.509 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722464704 PMHKKURBMZAVIL-DLBZAZTESA-N 441.623 1.604 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1722534261 KTQXCYLBNVEMBD-UHFFFAOYSA-N 439.520 1.357 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1722696550 BKXVAXWFYQHEBE-INIZCTEOSA-N 439.520 1.223 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722699517 JKKDOANDCPSGKD-NRFANRHFSA-N 447.536 1.325 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1722721627 HYZSKPAQGSEZCX-WMZHIEFXSA-N 436.516 1.988 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1722724223 QTDXTEWFHHKHRY-UHFFFAOYSA-N 432.550 1.978 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C#N)o2)CC1 1728668510 QLCJQWLKQIECIB-UHFFFAOYSA-N 447.543 1.948 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1730824340 MXWBDNSWYJBHIY-MIKJEETESA-N 432.525 1.621 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1740552752 OZVCFGQBTZHZOP-GOSISDBHSA-N 439.564 1.842 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1740559640 RYNMGGCRXVLNPC-DLBZAZTESA-N 447.561 1.748 30 10 IDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740591509 TTZZNHKASBXTJW-TYPHKJRUSA-N 428.581 1.922 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1nncn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740627214 ZEDQVWXNYQXJPF-KRWDZBQOSA-N 425.518 1.096 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1740647220 KUGGASGHYXVGSA-UHFFFAOYSA-N 443.284 1.881 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2nccs2)CC1 1740706588 XAWPCMPCYLGTRV-ZBFHGGJFSA-N 441.561 1.455 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1741001947 FDVGTBXNGMZARO-CVEARBPZSA-N 437.595 1.532 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1741802073 FKTLLAPIIYVPQF-JKSUJKDBSA-N 440.570 1.166 30 10 IDEE CCCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1745678412 JBLWGNLCSFSYAG-BEFAXECRSA-N 441.577 1.452 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1748129933 CADLDYYYZGOIHA-FQEVSTJZSA-N 430.534 1.214 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1748143490 JOEFRBWBEBABPN-QFIPXVFZSA-N 439.520 1.217 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)C[C@H]1O 1748333444 BNFGZIXBURDLLG-RADWXHQJSA-N 425.489 1.338 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1748715260 OWEMLQLPRHICHK-GOSISDBHSA-N 436.564 1.923 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1748780859 OEZDLTXBYFTNJM-XUTLUUPISA-N 434.456 1.312 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1748869076 SORZWEPEWSTZML-NFBKMPQASA-N 427.549 1.652 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(C)C(C)C)CC1 1748986904 LOFTXGPOWBTNCN-UHFFFAOYSA-N 427.553 1.491 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnccn2)CC1 1749049647 MYPJEUKAVDGUIL-HKUYNNGSSA-N 443.577 1.485 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCNS(C)(=O)=O 1749071681 NMEJMPLFVCHCTC-OAQYLSRUSA-N 431.562 1.809 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749401608 AOFTXMVZDRTERN-KURKYZTESA-N 441.598 1.971 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749402091 JAULRHUXAAGCMJ-HZPDHXFCSA-N 430.596 1.550 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1749650513 ABHHEZUYDUPPCF-CVEARBPZSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749655438 KYIXOYLXPQKASK-YJBOKZPZSA-N 447.561 1.512 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc(CC)nc2C)C1 1749697733 MZYNSFSWJBRUAY-HUUCEWRRSA-N 438.554 1.577 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1749958359 YGAVYQYUHNGGLW-QGZVFWFLSA-N 434.541 1.381 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCCN2CCC[C@H]2CO)c1 1750380966 DFVCOOFYHDZOAU-UXHICEINSA-N 437.548 1.365 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCOC[C@H]1C 1750953906 GHVDTGAIRZOIEI-CABCVRRESA-N 439.520 1.624 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1760138503 ZOQVIUGGEYGXHZ-FXAWDEMLSA-N 437.566 1.031 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760187398 JJSKJHDVORKXJJ-IEBWSBKVSA-N 447.561 1.994 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NC(C)C 1760206448 ZSQUFPPMFIMCQJ-UHFFFAOYSA-N 442.564 1.990 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760247936 VPHVVFYDVPKVEN-NRFANRHFSA-N 447.543 1.722 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(N(C)C)cc2)CC1 1760252737 VBQKLKCOQQPZBD-UHFFFAOYSA-N 435.576 1.578 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)CC1 1760254226 RMCGYVLNKYIXRS-HNNXBMFYSA-N 436.969 1.345 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1760289493 PIVBJTDLZSUCFP-QVKFZJNVSA-N 429.546 1.959 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1760315769 ISIWSPMKMBAYEQ-HZMVEIRTSA-N 441.598 1.873 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760349842 DKBSNMSXCJHWAY-UHFFFAOYSA-N 443.577 1.858 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760456161 IHGGVWDCFNUIKX-GJZGRUSLSA-N 449.585 1.011 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1760524514 ZRBBUAQKDXRLMF-QZTJIDSGSA-N 432.569 1.607 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1761056273 BIGIMYICCYRYEB-KXBFYZLASA-N 426.587 1.815 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1761360530 OKHUZRVZICLESQ-LSDHHAIUSA-N 442.524 1.222 30 10 IDEE CCC1(CC)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762497373 YCJHTEDDSYIUIS-ZJYNUGOYSA-N 441.536 1.772 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1766649163 GPTNFUYYHVBIOW-UHFFFAOYSA-N 436.520 1.777 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)C 1766650861 DWPVFDLYJSOFTP-INIZCTEOSA-N 446.577 1.848 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1766715872 XPUALTZPJJFPKA-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1768173823 RZTXLWNNYJQRGM-UHFFFAOYSA-N 435.536 1.645 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1769275034 GHMMJGDVFSOODL-ICSRJNTNSA-N 428.512 1.960 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770335601 GEBWMNRJFPHUNG-UHFFFAOYSA-N 437.529 1.583 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1771273432 QMFIJBZRPRTZRL-UHFFFAOYSA-N 426.477 1.559 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)CCO1 1771536881 DGFOCKZGJYCDIR-SMDDNHRTSA-N 436.394 1.747 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1854103419 NYPNIFOCLLNMSU-CABCVRRESA-N 431.514 1.672 30 10 IDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3nccc(Cl)c3F)C2)C1 1856433285 KHHYRCUXZNCZTJ-GFCCVEGCSA-N 429.839 1.893 30 10 IDEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1870143869 GANPNXDNTFEMRY-UHFFFAOYSA-N 443.423 1.641 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1CCN(C)CC1 1870434632 VKVDFDPRIOAWJL-UHFFFAOYSA-N 440.500 1.528 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)CC2)CC1 1891230639 AOEBMMDXSLEXLX-UHFFFAOYSA-N 432.496 1.996 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2215649798 QSVAKSIXQLYVHM-GFCCVEGCSA-N 446.289 1.911 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255527729 QGGQUBABPFHZLD-CQSZACIVSA-N 438.305 1.740 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542717 WMFLJORVBBADRP-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255624391 XQHCLNSFGKAMDO-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2255647315 WVMYAIGHEKLXGJ-ZDUSSCGKSA-N 432.330 1.761 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2255699779 SBBBSWGMKXFLBN-STQMWFEESA-N 435.334 1.242 30 10 IDEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255707544 XLFOVIDCUIBPCZ-ZDUSSCGKSA-N 435.330 1.414 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255712072 IIAIORYHADUDBZ-HNNXBMFYSA-N 435.330 1.680 30 10 IDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2255795069 DVKAXPTYHFJCLT-UHFFFAOYSA-N 448.272 1.178 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255817027 ORJPORGIRRFJDA-CQSZACIVSA-N 432.330 1.625 30 10 IDEE CC(C)[C@@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255817131 QCMYQTDUOJIZGI-CQSZACIVSA-N 436.362 1.998 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255842087 MRDNKCPZYMBMNY-CQSZACIVSA-N 432.330 1.625 30 10 IDEE Cn1nc(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843761 LOMPAIPDTLKHDD-UHFFFAOYSA-N 438.309 1.408 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256868227 QGIIQLMXSSHARZ-UHFFFAOYSA-N 428.298 1.026 30 10 IDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267014125 UDYXKFQPADOMDV-UHFFFAOYSA-N 447.301 1.406 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267141844 ZNFUDCFBCABEKA-JTNHKYCSSA-N 444.263 1.627 30 10 IDEE Cn1cc(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267177210 KTMYOIRPDAEVMK-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2267178015 WKWXIMUQYQJIRO-RYUDHWBXSA-N 442.247 1.097 30 10 IDEE Cn1cc(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267503058 XEMWOLIUEVERGD-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2267872591 JSUYVZZNWDABQX-YCPHGPKFSA-N 444.341 1.904 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2270592063 PIEZLXKPPROPCG-UHFFFAOYSA-N 441.259 1.972 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2272634573 SPVPAYHCRVSMTD-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE C=CC[C@@]1(CO)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2287685033 BXUSBJDBPCYFNX-FXAWDEMLSA-N 440.518 1.045 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2319673452 BWEYOWBGKMKGEU-PDSXEYIOSA-N 440.346 1.414 30 10 IDEE C=CCNC(=O)NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 20795201 ZRUNKHOMBPTZDB-UHFFFAOYSA-N 427.427 1.273 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4ccc(Cl)cc4)n3)n2C)n(C)c1=O 21077867 NJSOABHXPQUYTO-UFWORHAWSA-N 445.896 1.339 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)c1 21324690 ALRHZTOGWYTUIN-WYMPLXKRSA-N 439.505 1.912 30 10 IDEE N#C/C(C(=O)N1CCCC1)=c1\s/c(=C/c2ccc(C(=O)O)cc2)c(=O)n1-c1ccccc1 33763625 BXDOVYXZVNAVJB-QWXGMBFCSA-N 445.500 1.723 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2F)[C@@H](C#N)C(=O)N3)CC1 72444616 DQYJFXGZPFXQGA-ZBFHGGJFSA-N 439.447 1.912 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1 238944428 WHUPLTLFJPBWHB-KGLIPLIRSA-N 438.513 1.501 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)ccc1O 254845804 ZMSXRKCOSUMMEC-UHFFFAOYSA-N 447.516 1.739 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)CCO1 409492334 DELQDFXEYLLDKO-CABCVRRESA-N 425.511 1.529 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 409790186 NWNIOOCPJQTZGQ-MFKMUULPSA-N 425.454 1.573 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C#N 427787840 JTVRJRDBQBTFDS-UHFFFAOYSA-N 440.478 1.223 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)c(C#N)c2N)cc1 429468855 JNZIRODUAOPYPB-QINHECLXSA-N 435.532 1.876 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n(C)n1 436283347 URUAWTJGUWFCNH-IEBWSBKVSA-N 449.515 1.590 30 10 IDEE C[C@@H]1CN(CCCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 443667345 HKZXIBSGCVGLGU-MBOZVWFJSA-N 441.532 1.769 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)n1 477444059 NUMYDFUPMIPYSY-MRXNPFEDSA-N 427.526 1.611 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)cc1 477994766 WQOZDWOFGJQPFJ-UHFFFAOYSA-N 438.488 1.481 30 10 IDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)C1 478142990 GXOGHZGHVZODDB-CALCHBBNSA-N 436.553 1.649 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(F)c(C#N)c2)ccc1F 488919960 XSZJTRBIKJPXRM-UHFFFAOYSA-N 440.453 1.355 30 10 IDEE COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 506927264 FQCJJZMCVZEBQU-UHFFFAOYSA-N 428.470 1.883 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508802113 OZTLMGOZUPYRCN-INIZCTEOSA-N 440.548 1.937 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508896970 VOFAQSNCRIEFSY-UHFFFAOYSA-N 434.460 1.860 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 510300235 SSUWWRWVVAIDCL-UHFFFAOYSA-N 426.458 1.849 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1C#N 518457225 NZZRDYHRHIDWIP-UHFFFAOYSA-N 436.501 1.314 30 10 IDEE Cc1nccc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)n1 545397588 INLJDIWJZMAWOL-NRFANRHFSA-N 437.523 1.455 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3cccc(Br)c3)CC2)n1 545489581 QCNKVEQEFXIHGT-UHFFFAOYSA-N 428.290 1.794 30 10 IDEE CSc1nc(O)c(C(=O)NC[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1C#N 552281190 KYWFBUCYSNTPIC-GFCCVEGCSA-N 428.518 1.708 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2O)CC1 572430263 LAIYSKISDGQORR-UHFFFAOYSA-N 437.481 1.596 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)c(=O)n1CC(N)=O 727160955 MDRWIWCOHNJAQT-UHFFFAOYSA-N 444.394 1.701 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nccn1CC(F)(F)F 727810849 CJEGUJJSHYCTRD-UHFFFAOYSA-N 429.424 1.581 30 10 IDEE C[C@H](OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)N(C)CCC#N 729689137 HRYBYDXEUXKHBV-NSHDSACASA-N 436.262 1.739 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCO2)C1=O 730138965 OZRZYLHQVCGVGY-SJLPKXTDSA-N 429.546 1.737 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1CCc1ccccc1 735069075 LLQLELLBYRSNOM-UHFFFAOYSA-N 449.580 1.788 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCOC3)c2=O)cn1 749856261 CXTMBIBEAQBVEA-KRWDZBQOSA-N 448.548 1.939 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccn(C)n2)cc1 760453241 CVRBHTLZRKBFDQ-LJQANCHMSA-N 442.589 1.971 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cc1C 768422525 TVMXRDPKIPWZSK-KRWDZBQOSA-N 443.577 1.632 30 10 IDEE C[C@@H](NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 772981029 ASDOESVHWQDFDB-WGLILOHCSA-N 444.513 1.935 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 773953132 GAFBXKLHORLXCJ-NXVVXOECSA-N 442.463 1.911 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3nc(Br)cs3)CC2)o1 791469343 UWXUITPDXCNIRV-UHFFFAOYSA-N 440.279 1.579 30 10 IDEE COc1ncc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)n1 798575082 QHZWZGUQUJKVCL-UHFFFAOYSA-N 430.486 1.809 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 800773999 PCXYVIUHHPDTLU-UHFFFAOYSA-N 448.549 1.409 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 801469598 URJNXAQBIJLYPP-DOTOQJQBSA-N 439.534 1.109 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 805784830 SXUJUBBKAJMWCP-IRFCIJBXSA-N 448.589 1.302 30 10 IDEE C=C(Br)CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 809158774 WQICYQLIOIJOMA-UHFFFAOYSA-N 446.367 1.660 30 10 IDEE C#CC[C@]1(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 812354391 COJGADZJCCLSPE-HXUWFJFHSA-N 442.582 1.120 30 10 IDEE COC(=O)c1ccc(Br)c(NN=Cc2nccn2S(=O)(=O)N(C)C)c1 814938901 XXNFUSFCCOKOOG-UHFFFAOYSA-N 430.284 1.533 30 10 IDEE COc1ccc(CNC(=O)CCSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1084469514 PRMKAGXDVADVOY-UHFFFAOYSA-N 441.517 1.951 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1116611283 YWQPYHXCJJYPGY-GOSISDBHSA-N 432.546 1.873 30 10 IDEE C#CCN(CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C(=O)OC(C)(C)C 1136454662 GOWVESNQYIYTFJ-UHFFFAOYSA-N 430.549 1.804 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H]1C 1137886353 NHDXADSHABINDX-OQXXTQHASA-N 448.564 1.869 30 10 IDEE CN1C[C@@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1=O 1170614013 GIQZKWFCDQSGDF-HNNXBMFYSA-N 426.477 1.007 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)CC1 1175515281 VMXAHZVRDNBEAW-UHFFFAOYSA-N 435.937 1.368 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1178757811 VQKAXBPVTVZUHA-JTAQYXEDSA-N 437.521 1.424 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 1179745696 WWLYPMDCIKHWTK-RRQGHBQHSA-N 434.518 1.445 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1286391317 HEPCQPOWTHPSAP-IBGZPJMESA-N 437.525 1.645 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1286411103 YWWTWCGVTPMIBT-GOSISDBHSA-N 442.541 1.731 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1286451917 PUJLBOPCIHTZGW-CQSZACIVSA-N 428.559 1.215 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1286467259 OELLITWOCVMUGJ-LJQANCHMSA-N 437.610 1.388 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286601913 PWAGWFKFFOBSJO-INIZCTEOSA-N 440.508 1.074 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286608249 ORWTUEKRTOUYRO-MSOLQXFVSA-N 438.594 1.904 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286662194 AGVAORCSVDKOFN-SFHVURJKSA-N 430.578 1.948 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1286699975 JBBFMMWNEQAREV-LPHOPBHVSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286791359 RYCVTOYLGBWJBK-IVZQSRNASA-N 447.486 1.834 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC(N)=O)c2)C1 1286804397 KYICBRUBBLGDEI-IBGZPJMESA-N 437.504 1.372 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(C)(=O)=O)C1 1286812802 TWXZLTRGEZEXOD-QGZVFWFLSA-N 430.534 1.343 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286964586 CGDSJOXDEOJVHE-FUHWJXTLSA-N 427.557 1.217 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1288987965 LNUVRLFMSKZFGV-MRXNPFEDSA-N 449.537 1.367 30 10 IDEE CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293092665 NJBVYOHQBPDODF-VHEBQXMUSA-N 445.524 1.282 30 10 IDEE C=CC[C@]1(C(=O)N2CCC(NS(=O)(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 1297287615 GEBJHPOXOMFHLO-LJQANCHMSA-N 430.571 1.377 30 10 IDEE C=C[C@@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1300210980 MXZGGCHALJADEB-CQSZACIVSA-N 429.926 1.575 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300365204 REJBMODBZLNFFK-UXHICEINSA-N 448.637 1.200 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300367819 JTNDLOVJGSDCCF-FQEVSTJZSA-N 435.532 1.834 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)c2ccccc2)CC1 1300682401 HESXAAVCJZKSSQ-RBUKOAKNSA-N 444.605 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)CCC)CC1 1300731127 CNFGMAOXDDYRBG-SFYKDHMMSA-N 447.580 1.519 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301229702 XWPZSZKUFXRLQZ-UHFFFAOYSA-N 429.569 1.111 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1301257611 BUVGAPGDPYJZRD-ROUUACIJSA-N 443.552 1.772 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1CCOC(C)(C)C1 1301508686 QQXSPWCKBVURMN-UHFFFAOYSA-N 447.609 1.483 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)C1 1301554562 IIKSWRFRGHNRIU-OALUTQOASA-N 431.585 1.038 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301586288 JUQYGPRREQOKAE-HNNXBMFYSA-N 437.591 1.588 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301608884 AZRZXGWIZWQTCA-OXJNMPFZSA-N 431.566 1.634 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 1302361686 FZIXEMNCRLLWOU-QHCPKHFHSA-N 433.516 1.384 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NCC(F)F)CCO1 1303001615 FPHOHMURAAEUEU-AWEZNQCLSA-N 442.430 1.445 30 10 IDEE C#CCN(C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303655842 LUCREACMOCZJMT-HDICACEKSA-N 429.517 1.799 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1305174664 JZLYNQJJMYNANB-GPNFDMASSA-N 445.549 1.086 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1313488694 HJUZDHZZKGKGJE-IBGZPJMESA-N 426.521 1.973 30 10 IDEE Cn1ncc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)n1 1314932793 NIGXFWWDVIGQFN-HNNXBMFYSA-N 428.447 1.637 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1314993659 SALWOPOBGAPWNG-WATITHJCSA-N 427.509 1.034 30 10 IDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)Cc2ccc(OCC#N)cc2)CC1 1356362501 AJQLNKXXCIWAII-UHFFFAOYSA-N 430.505 1.765 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CCC)CCC 1358890717 URVYPMZUPJCRAP-IAGOWNOFSA-N 441.598 1.400 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358959608 MEMLKKGCOHHPPX-KRWDZBQOSA-N 448.980 1.716 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1358993400 LVENHUTWELTPEQ-UHFFFAOYSA-N 434.548 1.393 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1359035518 WGDQUDQYFZMSKW-YLJYHZDGSA-N 438.532 1.461 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCn2cc(C)cn2)CC1 1359039863 ZCOPXIXBDBINDC-UHFFFAOYSA-N 435.532 1.826 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCCOC 1359073372 NDDLYBMGTXGCMI-HSZRJFAPSA-N 438.532 1.861 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1359281385 XSISBJMFWWVRDQ-UHFFFAOYSA-N 439.520 1.309 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359297969 ILQFOHIPTJXPLB-QGZVFWFLSA-N 449.519 1.040 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1359299178 XSIXOOURXZAZBY-UHFFFAOYSA-N 426.525 1.727 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccn1 1359303982 HISJQCJNERFASA-UHFFFAOYSA-N 425.518 1.603 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)C)C1 1359319824 GSVNULONBLADJV-GOSISDBHSA-N 440.552 1.322 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](COC)C1 1359328892 QRWWQRPWGMVBDL-LJQANCHMSA-N 434.562 1.960 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1359620140 LPHFNFVBLOCPGQ-WOJBJXKFSA-N 438.532 1.973 30 10 IDEE CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1=O 1360011515 DYPDEOABVSJCPJ-UHFFFAOYSA-N 425.493 1.332 30 10 IDEE O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc(C#CCO)c1 1441602872 LKZHNKPBVBBGAH-HXUWFJFHSA-N 428.510 1.418 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)CC1 1443352350 CYBVGEVWDZCTDC-QHCPKHFHSA-N 436.597 1.847 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(N3CCCCC3)CCOCC2)s1 1443357543 KXVVEERUSNLUNX-UHFFFAOYSA-N 441.619 1.906 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1443496319 ZBDUFRSJJSDFIY-OCTSTCLRSA-N 438.521 1.146 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)CC1 1453845513 YUTKPAIJRLTTAR-UHFFFAOYSA-N 430.482 1.802 30 10 IDEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H]1CCCN(O)C1=O 1468451614 BLQGUFXQAUGCAE-CVEARBPZSA-N 437.294 1.474 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccc(C#N)cc1 1470075316 UQXSFDWUFVUQOB-FQEVSTJZSA-N 443.525 1.947 30 10 IDEE C#CCn1ccc(CN(CC)S(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 1475260469 ASXPRTOENDTPAH-KRWDZBQOSA-N 426.539 1.304 30 10 IDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)NCC1CC1 1503094826 AGLKPVYJSLOERC-UHFFFAOYSA-N 437.548 1.929 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507561394 PXLUBNGJVOTENY-SJORKVTESA-N 434.566 1.037 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507605156 QTSWRTMSZQQEED-OAQYLSRUSA-N 447.561 1.298 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507633470 DYTOPVKULGXAKW-QGZVFWFLSA-N 446.577 1.826 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1507659315 ZWEXQSNUGLCOLZ-HXUWFJFHSA-N 449.559 1.745 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(OC)C2CC2)CC1 1507738418 OPXWKPZMPJLGEA-HTAPYJJXSA-N 428.537 1.010 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1507980631 HOUCWYRKSBLXDI-SFHVURJKSA-N 448.549 1.240 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507983310 PXZBRAHGDXBZQX-KRWDZBQOSA-N 449.552 1.826 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)CC)C1 1508130925 XQLKVUFORXOFPV-GOSISDBHSA-N 444.561 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1508134860 HVEOJBOKWCNHFJ-INIZCTEOSA-N 433.534 1.256 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1508213225 CKOJSEIPNMFJNC-GOSISDBHSA-N 442.545 1.310 30 10 IDEE CCCCNC(=O)[C@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1514502938 PTHOLKJLGRZRPW-MXLIYFDZSA-N 429.525 1.246 30 10 IDEE CN(c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1517055443 BEXYZYLKWLJOBA-FVGNFYTDSA-N 440.479 1.760 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1517877267 FLAUYLAEHIVFNE-RTWAWAEBSA-N 445.545 1.372 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1519396757 AUGXKYFNZPZWBD-IBGZPJMESA-N 447.561 1.883 30 10 IDEE COc1cc(I)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1538765476 IRYHFGBVAUBWIO-ZUZCIYMTSA-N 446.266 1.310 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1539237280 BVPOIGIYBJDGGW-NZQKXSOJSA-N 429.565 1.504 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539467232 PPURTPGMZQYATR-LJQANCHMSA-N 429.613 1.393 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539899939 BXJBNHWGNPJPOL-UHFFFAOYSA-N 445.612 1.763 30 10 IDEE COC(=O)[C@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H](C)c2ccccc21 1540237088 IFJWMNKSZTVCFF-FPTDNZKUSA-N 441.509 1.807 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1540549891 BEUIALUOZATTPN-KRWDZBQOSA-N 432.571 1.948 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1541698629 RCRRQOQXOWIGNR-PXNSSMCTSA-N 437.548 1.498 30 10 IDEE CCc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1546221843 KZDDSZISUWDMBC-LSDHQDQOSA-N 449.515 1.360 30 10 IDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(OC)C1)S(C)(=O)=O 1547573100 FDCMPBWOTPKAJM-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE Cn1cnnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1554351460 BAMKRJRZACAGSG-GFCCVEGCSA-N 447.272 1.752 30 10 IDEE CO[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1554590764 BWDWKCPIIWGYLB-MRXNPFEDSA-N 447.503 1.554 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 1558074707 FVQGANZBFHKFNM-UHFFFAOYSA-N 439.335 1.085 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C(F)(F)c2cccc(Br)c2)CC1 1584999950 GVQTZGIQTDLANB-UHFFFAOYSA-N 428.277 1.825 30 10 IDEE C#CCCN(CCOC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1585574102 RBUZAJYGGGAIAW-IXDOHACOSA-N 428.551 1.155 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588276077 HPUNQXYIMXRZPR-NRFANRHFSA-N 440.529 1.344 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)nc2)CC1 1588749995 BEYHNLKQNNDXBH-HSZRJFAPSA-N 440.548 1.526 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1594813433 SPVBYLJWFRPYNK-KRWDZBQOSA-N 429.525 1.500 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1607486871 QANBGIJHTDYHOA-VQTJNVASSA-N 438.532 1.661 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1cnnn1C 1609508544 BGDQZIMJUALXAF-SFHVURJKSA-N 435.492 1.043 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1610304537 FGPPENRBGYTQTJ-SFHVURJKSA-N 432.550 1.618 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2CCCCS2(=O)=O)n1 1611072811 NDTKQZXUKYPEMH-UHFFFAOYSA-N 428.565 1.164 30 10 IDEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 1611721792 IDOOKWZSVRMZHN-WIYYLYMNSA-N 429.546 1.991 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617615993 IBMFCSICYFKGKC-UHFFFAOYSA-N 448.506 1.689 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)NC2CC2)C1 1620345606 GIPNMGXWQOWGBC-FQEVSTJZSA-N 426.456 1.426 30 10 IDEE Cn1cc(N2CC[C@@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2=O)cn1 1634126554 DMNVXIRESPDFGR-ZTHJGWAOSA-N 442.520 1.428 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1635738979 USZJXNCHTHLNOF-SFHVURJKSA-N 437.585 1.537 30 10 IDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)COc2ccc(Br)cc2)c1=O 1641145930 SUSYCZYSLPMBHA-UHFFFAOYSA-N 446.301 1.963 30 10 IDEE CCS(=O)(=O)NC1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1656407075 JGPIHLPWRDIUQQ-UHFFFAOYSA-N 431.480 1.577 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 1674937986 UGJHDOZFHHGRBE-UHFFFAOYSA-N 439.534 1.098 30 10 IDEE C=CCN(C(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1675057480 XWNRUUGIIVCHQI-AWEZNQCLSA-N 439.538 1.841 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)C2)nc1 1675541785 NODWOKHKMFKNGC-LEWJYISDSA-N 441.580 1.336 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 1678137309 ZTDFLZPCOKOEMT-UHFFFAOYSA-N 436.868 1.601 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 1687793541 BDBVZKKMYYKWLV-JYJNAYRXSA-N 429.525 1.872 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1689945509 FNARFTHBUBAZCU-UONOGXRCSA-N 433.534 1.338 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689986610 TZHVJFHTTMUPTG-PMACEKPBSA-N 442.589 1.841 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689986817 XOYGNHUMGGUFQD-OALUTQOASA-N 430.530 1.377 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690117797 WCJMYORQNDYCQZ-ROUUACIJSA-N 430.940 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690122230 LCLYVROUTAGONN-KRWDZBQOSA-N 445.568 1.241 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690288248 OLYXSHSXLKIZCK-ZACQAIPSSA-N 425.555 1.192 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1690497224 KQLDLXDLZJCMRO-INIZCTEOSA-N 428.493 1.908 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1690607670 RINYTGKHIIWLAI-OAQYLSRUSA-N 443.529 1.718 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1690668172 WCGZDOCYVWPQLY-UHFFFAOYSA-N 435.532 1.798 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1690700750 XAVPPTROHQGNPQ-HKUYNNGSSA-N 432.546 1.910 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690737104 ZWIQQJPHJZUTCE-OAHLLOKOSA-N 449.602 1.935 30 10 IDEE C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1692747360 BZHATSBATWKYJH-GOEBONIOSA-N 430.513 1.568 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1692853592 PCEWZUHBDNLGKL-IBGZPJMESA-N 438.532 1.852 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CC(C)(C)O 1693745915 HLBNETRIYXFWHZ-INIZCTEOSA-N 433.520 1.412 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1694351862 MNOMVHVVYLXVNO-ATZDWAIDSA-N 429.569 1.798 30 10 IDEE CCOCc1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696291798 VXFSPKKGSDPRGA-HMDOMZECSA-N 444.536 1.736 30 10 IDEE COCCOC1(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1698180353 PMPZWDUGFGRAJD-IBGZPJMESA-N 442.520 1.205 30 10 IDEE COCCOCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1698216551 OHUYJGCKQSKVLE-YLJYHZDGSA-N 443.504 1.963 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1698312815 BATPPXWZXOFDPU-LJQANCHMSA-N 442.545 1.680 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)C 1705489406 OQSLNQQESZPVPA-HNNXBMFYSA-N 431.566 1.611 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1705494622 CLILVLRMXDFZQH-SJLPKXTDSA-N 429.546 1.345 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1705551040 FHXRSPXUQNIJFG-GOSISDBHSA-N 435.525 1.371 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705569968 IZABEVKMRIBJTE-UXHICEINSA-N 444.532 1.980 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1705587825 KKJOXDZXFUAZBT-ZHSNQQFMSA-N 443.548 1.662 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@]2(C)CCCO2)n1 1705631926 SKJWUDQQQVRRGM-JOCHJYFZSA-N 438.536 1.730 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705665684 AQZUORKLGJREGN-UHFFFAOYSA-N 428.566 1.421 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705725585 JFGCBNOCAPSRJN-MRXNPFEDSA-N 435.554 1.160 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705907813 YJVOWRGKVSHXFM-FDDCHVKYSA-N 441.532 1.586 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705909012 ZXTNDEGXDRPLID-SJORKVTESA-N 442.495 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1nncn1C 1705936647 VPUWTZZOBSJBIV-HZPDHXFCSA-N 435.554 1.243 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC[C@@H]1C 1705938710 HSRFLGRWDZEMIO-JYJNAYRXSA-N 430.596 1.545 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)CC(=O)N1C 1708182837 QUBFRZMPBFQALN-MJGOQNOKSA-N 438.532 1.927 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1710330359 SBVGOLGTOPDVFZ-SFHVURJKSA-N 429.500 1.059 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1712878316 CCUXAARWSMRHGN-IAGOWNOFSA-N 428.518 1.096 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722324630 VNJPOVGKRFCNPI-YWZLYKJASA-N 435.525 1.539 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1 1722445525 SXCITALCDUSGSL-UHFFFAOYSA-N 442.527 1.873 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722713574 HVWNTZIFATUUMR-HWEPQYAMSA-N 442.520 1.827 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722857573 FXLQKNXFVWJDLJ-FQEVSTJZSA-N 437.548 1.868 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOC[C@@H]3CCOC3)CC2)c1C#N 1725863463 PGNLJPUNGCLVOT-SFHVURJKSA-N 428.541 1.270 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1729486883 LAYNKCKVWLCTRN-JHBCHSCWSA-N 437.504 1.263 30 10 IDEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1730926521 HTUNUZUZIVNJFE-VQTJNVASSA-N 427.505 1.895 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1740547862 BVNDRJOVIAIHBK-FJIDUMEYSA-N 449.552 1.584 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1740610861 NJGAZGJGOWIGAH-ZWKOTPCHSA-N 432.569 1.998 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1740626588 MFBQKAVIMJLMJG-CVEARBPZSA-N 435.575 1.416 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740655638 FCPCEOBIVVQUHF-JOCHJYFZSA-N 447.587 1.830 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(O)CC2)CC1 1740696229 OQBSRUSIEUKIGW-UHFFFAOYSA-N 444.580 1.673 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NCCC)CC1 1740705630 JYAUBCZPARACMF-GOSISDBHSA-N 430.553 1.402 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740721100 WXFOHWNRARAMNR-JOCHJYFZSA-N 437.573 1.845 30 10 IDEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1740742905 FXLDPHVRLHVCKE-UHFFFAOYSA-N 444.293 1.781 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2OC)CC1 1740957490 PLCADNWEXXZLKB-UHFFFAOYSA-N 436.520 1.316 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740965159 LVMDGROPUMGBGK-HSZRJFAPSA-N 446.596 1.687 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)cs1 1742578832 QFGXSIOULUQSHZ-UHFFFAOYSA-N 429.550 1.623 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1743196327 BMDIDASOCBAEFU-OAHLLOKOSA-N 442.545 1.308 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1748666999 LLLNLWJOKWDVPS-TZIWHRDSSA-N 435.576 1.505 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC 1748886814 MKOQYYBHGLHNNV-UHFFFAOYSA-N 445.527 1.835 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)CCOC)CC1 1748979604 GRPFTWDLEBXDRQ-UHFFFAOYSA-N 427.509 1.187 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)CC1 1749005984 DIRSVOBLTZZEMJ-UHFFFAOYSA-N 436.516 1.446 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1749039548 WKHHEFQWTHHAMN-QGZVFWFLSA-N 439.651 1.857 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749043569 GRPZAQPTHDWEOK-AZUAARDMSA-N 426.590 1.787 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1749053814 MLAKZLAJKAPYRT-KBXCAEBGSA-N 445.611 1.094 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1749470698 BCBVQKKNROOPNX-IBGZPJMESA-N 437.591 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1749663328 AJLNHGVVFUWRBS-UHFFFAOYSA-N 437.508 1.091 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncc(CC)s2)C1 1749698133 QQFQDVDTGUTZSQ-KBPBESRZSA-N 440.595 1.737 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCO[C@H]2C)C1 1749717162 HNBZKDZPPAHUKI-MRUHUIDDSA-N 447.561 1.591 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(C)C)CC1 1749736948 UPZZGJJDLYTHBX-UHFFFAOYSA-N 432.594 1.832 30 10 IDEE Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)s1 1751864379 QEAHFJDUBVFZNY-NEPJUHHUSA-N 426.572 1.277 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1760184459 XONHNLJSBYILJJ-AEFFLSMTSA-N 434.566 1.310 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760280374 FGDPTRDCUUMZTA-MRXNPFEDSA-N 441.623 1.447 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760306283 ATZXAYQUUZTZPK-RYUDHWBXSA-N 438.286 1.407 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1760321645 ISNIMFAWFWXPNG-QRVBRYPASA-N 437.610 1.692 30 10 IDEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)(=O)CC1 1760449680 RBKXETVZDYKMCW-UHFFFAOYSA-N 442.545 1.958 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1760517395 LDSAEBHCWRWUSB-CABCVRRESA-N 449.602 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760552691 YAKQDFQPFMDPEY-DLBZAZTESA-N 448.501 1.669 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764572981 OVZSVJZEVCQELK-KRWDZBQOSA-N 425.493 1.581 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)SC)CC1 1767214836 CRHPHWCUAHLAKB-MRXNPFEDSA-N 427.578 1.826 30 10 IDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 1768917447 GMQDCDKLAQRRDW-MSOLQXFVSA-N 427.484 1.229 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)C[C@H]1O 1769452150 NYDCGIMHLLVSNJ-QZTJIDSGSA-N 427.505 1.992 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)F 1769880933 GPFQAIPUXQGVPR-LBPRGKRZSA-N 440.838 1.717 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1770110412 RUDLYEJMPPTZQT-SIKLNZKXSA-N 427.505 1.864 30 10 IDEE CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1770597084 KPIWLUXNAJNFEI-UHFFFAOYSA-N 445.597 1.410 30 10 IDEE C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1771488659 DKLXWAHCOWRPCJ-OEZHVKQPSA-N 430.509 1.253 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1772567354 USGLWOPRCHPCCD-SFHVURJKSA-N 426.521 1.470 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)C(=O)NC 1772660021 HPJRWMMBPPWPDF-ZDUSSCGKSA-N 440.957 1.413 30 10 IDEE COc1ccc(N(C(=O)CN2CCCS2(=O)=O)c2nccc(N(C)C)c2C#N)cc1 1852318028 UZCHTUQZBKSBGA-UHFFFAOYSA-N 429.502 1.728 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(C[C@H]4CCOC4)C3)CC2=O)c1 1853611499 SPBPLSPYVZMADA-QZTJIDSGSA-N 430.936 1.801 30 10 IDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)Cc3cccnc3Cl)C2)C1 1856384580 NUXHHZQCTBLYTE-AWEZNQCLSA-N 425.876 1.682 30 10 IDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1857235352 IXBFSJDLVJBGMT-MSOLQXFVSA-N 430.574 1.937 30 10 IDEE C#CCOc1cn(CCOCCO)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1871007469 DZYNKIYJJSKUHD-UHFFFAOYSA-N 432.473 1.507 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874338536 UELPLHMBODLGOX-YYBSAPHASA-N 430.490 1.160 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccc(O)cc3)ncnc21 1875231331 JIYNAQYBPSNYNY-UHFFFAOYSA-N 436.516 1.685 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccncc4)nn3C)CC2)CC1 1889437324 QMZDMWYSTJPOIV-UHFFFAOYSA-N 436.560 1.354 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1891951969 XZROAJMUQWYFPG-HOCLYGCPSA-N 435.440 1.500 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)=C[C@H]1O 2131476114 LALUBWDTJNGURK-HUUCEWRRSA-N 446.313 1.299 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1 2255609355 GFEHPLOKWHLWEC-UHFFFAOYSA-N 434.346 1.894 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631441 YWZMYTWHZSCRGV-ZDUSSCGKSA-N 438.309 1.644 30 10 IDEE Cc1ccnc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255633647 FIRILTBVQMFIQP-CQSZACIVSA-N 435.330 1.305 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)n1 2255650084 XXNWPXSWYHZTLM-CQSZACIVSA-N 435.330 1.305 30 10 IDEE Cn1cc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2255656317 ZCNAIBFATUZUFQ-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE CC(C)[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2255817130 QCMYQTDUOJIZGI-AWEZNQCLSA-N 436.362 1.998 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(OCc3ccccc3)CC2)n1 2255839427 VUSRCQBVTLTLER-UHFFFAOYSA-N 426.326 1.936 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 2255874416 UPOKDPFKDLCVFV-QGZVFWFLSA-N 425.342 1.366 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255875851 FTCYUXOZGDELAQ-CHWSQXEVSA-N 435.334 1.100 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255876922 RUFKAKJJVCBJBC-KBPBESRZSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2256679698 MTQJJNBBEJUPJG-UHFFFAOYSA-N 435.374 1.974 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)nc2)OC1(C)C 2256927153 DUNLNTYSEYVQHV-SFHVURJKSA-N 426.278 1.781 30 10 IDEE Cn1nc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1B1OC(C)(C)C(C)(C)O1 2267128470 RDGVGWFGHYJNSL-GOSISDBHSA-N 435.337 1.569 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267183515 GVXDJNFCAABYAK-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267270451 LOKYSINQZKHZCR-CQSZACIVSA-N 449.361 1.586 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267539084 YDJAVKXGQPDXJK-DGCLKSJQSA-N 442.247 1.447 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2267543556 HTCAEBYOZQMHJH-ZIAGYGMSSA-N 449.361 1.538 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267545917 PCJYTVGSSLGSCC-UONOGXRCSA-N 449.361 1.347 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267596834 QRCOBUVOVJWLLT-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE N#CCOc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286019607 BUELSINZHHQPTB-KRWDZBQOSA-N 433.442 1.710 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2311711170 OGRXQYGVWFJARN-BZUAXINKSA-N 438.330 1.118 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2320440964 KZLFMPARPHKHLV-QGZVFWFLSA-N 427.310 1.473 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2337192588 NJPOBAGDUPIPEP-CABCVRRESA-N 446.357 1.943 30 10 IDEE Cn1nc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2340985689 PTHKFMIAINAICA-KKUMJFAQSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2356120969 ZLXVXKIDLLTNOF-QLFBSQMISA-N 440.294 1.990 30 10 IDEE CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)o1 59182361 GKAIHITWNDNLAX-ATVHPVEESA-N 448.501 1.749 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)cc1 65032449 INRQTUDZGGJYFZ-UHFFFAOYSA-N 428.495 1.608 30 10 IDEE COc1cc2c(c(OC)c1OC)C(=O)C(=O)N2C/C(O)=N/S(=O)(=O)c1ccc(C)cc1 96550380 ZBSKTAQKPHYSRS-UHFFFAOYSA-N 448.453 1.896 30 10 IDEE COCCCn1c(=O)/c(=C/c2ccc(Cl)cc2)s/c1=C(/C#N)C(=O)N1CCCC1 105754100 KMYGBBGJKPUGFO-FEGWUIOZSA-N 431.945 1.725 30 10 IDEE C#CCN(C(=O)c1cnc(Br)c(Br)c1)[C@H]1CCS(=O)(=O)C1 314549737 OMVJEJXTOXZFJW-JTQLQIEISA-N 436.125 1.869 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)CCO1 409499050 GFKLLJQHOSRIGL-WOJBJXKFSA-N 428.514 1.503 30 10 IDEE Cc1sc2ncn(CCC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c(=O)c2c1C 465195804 RUBPFPOEZHNTLQ-CYBMUJFWSA-N 437.529 1.864 30 10 IDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCOc1ccc(C#N)cc1 465926295 PNMGLRKDVIBKHE-UHFFFAOYSA-N 432.502 1.049 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 481764780 HVSDOPICTHMAGE-ACRUOGEOSA-N 446.523 1.577 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)cc1 488383749 XRTTZYCWJWRUQN-KBPBESRZSA-N 440.522 1.071 30 10 IDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)CC2)n1 501915129 IQMVINPSGFYNOD-UHFFFAOYSA-N 437.485 1.656 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508799040 ZQYNBFLBMYTWON-UHFFFAOYSA-N 449.515 1.969 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 517988297 XTHPNYIXXYYRRR-UHFFFAOYSA-N 439.537 1.083 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 521002074 WLLCESTYNDMNHG-IPMKNSEASA-N 447.557 1.651 30 10 IDEE CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc1 523652748 NLKMKZHXBVAQCX-UHFFFAOYSA-N 428.535 1.520 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccn1 523863802 BSTGKQNCCMQGKS-UHFFFAOYSA-N 432.549 1.823 30 10 IDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c(C#N)c2N)cc1 530968597 RSQPATFXQWTHRB-HOTGVXAUSA-N 432.550 1.511 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1Cc1ccccc1 532165422 HBCZRRYQFOEWAH-UHFFFAOYSA-N 446.532 1.557 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCOC3)c2=O)c1 537396077 VLVIRGMIMAFHJG-OAHLLOKOSA-N 427.526 1.387 30 10 IDEE Cc1noc(CN2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)n1 540554340 TVSVTDQSPZSMCM-HXUWFJFHSA-N 441.511 1.044 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C)c1ccccc1 542219570 FETQMUVRZCKAFN-UHFFFAOYSA-N 447.545 1.860 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)c(OC)c1 546877468 VAOLQUWRGKEVOH-INIZCTEOSA-N 435.484 1.672 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 549278682 DGXMEPTWEDZKNB-HNNXBMFYSA-N 429.529 1.305 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 553315298 YHCLGBUVHISAAT-INIZCTEOSA-N 447.507 1.642 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 578580572 KOIFBMDHUCIXKE-ULQDDVLXSA-N 439.582 1.581 30 10 IDEE COc1ccc(CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1C#N 610955367 ZCNVRXSTQTVONV-FQEVSTJZSA-N 429.429 1.831 30 10 IDEE N#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 727679805 QERPNKFPMDSRIH-UHFFFAOYSA-N 435.527 1.852 30 10 IDEE CCc1oc2ccccc2c1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 731224190 DALVUWPQOJYJLP-UHFFFAOYSA-N 434.521 1.577 30 10 IDEE COc1cc(N2C[C@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2=O)cc(OC)c1OC 732648933 WSGQSKGGNPDMCK-RHSMWYFYSA-N 428.489 1.264 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cn1 749856953 QGROWJVRCTWDHL-OAHLLOKOSA-N 426.542 1.425 30 10 IDEE N#Cc1c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cccc1S(N)(=O)=O 754976273 HLTAWOLLEYJPBX-UHFFFAOYSA-N 434.905 1.587 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cc1 768421271 LRRVDQRYUYTYGN-MRXNPFEDSA-N 429.550 1.323 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCCOc2ccc(C#N)cc2)C1=O 771271450 WJDQJADPVCXUSX-HSZRJFAPSA-N 436.468 1.838 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CCN1C1CC1 772492163 WGGAGHYWVQUPEF-RTWAWAEBSA-N 447.543 1.467 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2COC3(CCOCC3)O2)C1=O 776744124 RHRBLEYGGLCTAP-RDJZCZTQSA-N 444.513 1.548 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777940241 JQZQIFPJTSGKPL-UHFFFAOYSA-N 431.445 1.476 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 780205237 KJINPVDNPGCCIZ-QHCPKHFHSA-N 435.480 1.414 30 10 IDEE CCOC(=O)c1ccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 784238621 QUTHCDMWZFAMGF-AWEZNQCLSA-N 444.465 1.828 30 10 IDEE CC(C)c1nnc2n1CCN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)[C@@H]2C 784691971 AUVSURQXTYYPGD-ZIAGYGMSSA-N 430.534 1.822 30 10 IDEE CC1(C)CC[C@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)O1 785268748 XBAMRQAYVQYFSN-MRXNPFEDSA-N 428.445 1.956 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2sc(C(=O)OCC)cc2c1 795073216 QBLCTCJUXCZLHS-CQSZACIVSA-N 441.552 1.889 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796624862 CVVRWZTUHOHVQP-SJLPKXTDSA-N 429.502 1.485 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N([C@@H]2C[C@H]2C2CC2)C1=O 797425500 JXDOPHWFOLNXGN-BHNVPWPESA-N 429.590 1.791 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2C[C@H]2C2CC2)C1=O 797426822 NWRQEOUJJALZSF-KSEGZESMSA-N 436.559 1.069 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 797841582 NOXIXPGYNWPDEU-ABAIWWIYSA-N 440.490 1.919 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1)C(C)C 798551815 GYVOSPRVGQAVEZ-KRWDZBQOSA-N 441.575 1.072 30 10 IDEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2cnn(C)n2)C1=O 807938960 KKKXWDXSLASXTQ-HNNXBMFYSA-N 435.579 1.466 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c(=O)c1C#N 816411095 SEDOKXMAHCZIKX-UHFFFAOYSA-N 442.273 1.659 30 10 IDEE CCN1CCN(c2ccccc2NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 916564645 QJGYZLMLZZMIMI-UHFFFAOYSA-N 427.530 1.506 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1CCN(S(C)(=O)=O)CC1 928979064 CMUOMJNTSINDLS-OAHLLOKOSA-N 437.518 1.545 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)c3cc(C4CC4)nc(SC)c3C#N)CC2)CCOC1 1148014667 HSXVTNYQUIDBDJ-OAQYLSRUSA-N 430.530 1.642 30 10 IDEE COc1ccc(N(CCC(=O)N[C@@H](C#N)CO)S(=O)(=O)c2ccc(C)cc2C)cc1 1157962328 APDPCOSFRZZJTJ-KRWDZBQOSA-N 431.514 1.898 30 10 IDEE CC(C)(C)OC(=O)N1CCC12CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 1161476655 NQPCSIRTUJLGTC-UHFFFAOYSA-N 448.545 1.839 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2cc(I)cc([N+](=O)[O-])c2)c(=O)n1C 1189861807 OFFBZDIBAKAGQL-UHFFFAOYSA-N 426.170 1.288 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1286395689 SXFIYPZLHHUSEN-ZWKOTPCHSA-N 431.587 1.786 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1286397742 CHXJFCWOFREXKA-DOTOQJQBSA-N 449.508 1.369 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1286439368 PZJTUZIMSSGGFI-JOCHJYFZSA-N 440.573 1.862 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCOc1ccc(S(C)(=O)=O)cc1 1286450053 MMJFXJMTMFCGPC-UHFFFAOYSA-N 445.545 1.343 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(O)cc2)CC1 1286485210 FSRDRXSDOOUZNI-FPOVZHCZSA-N 425.533 1.706 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286504533 NDFUDBQSRJVGAE-UHFFFAOYSA-N 449.606 1.075 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286506097 QADGTPSMIBKLHL-GOSISDBHSA-N 428.537 1.930 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1286522413 JRVUXXTXURNIMX-DYESRHJHSA-N 428.562 1.682 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1286606553 TZFMNXUYJNMUPG-GOSISDBHSA-N 430.553 1.803 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](COC)C1 1286779822 NJNYFSDSMHZWHN-GOSISDBHSA-N 431.493 1.116 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1286781850 CKDQSBFBGZDFIS-CQSZACIVSA-N 447.337 1.712 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1286818334 HDWHPOFHQCRJCG-KRWDZBQOSA-N 448.593 1.627 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286821847 VYHUEEOGWJIBHN-APWZRJJASA-N 431.562 1.868 30 10 IDEE CNC(=O)C1(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOCC1 1288879131 KIEYJUSKHIMVNA-UHFFFAOYSA-N 427.461 1.434 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1288977048 IDQSRSWAOBFGBG-LSGABVIPSA-N 432.488 1.997 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298087336 KMZVTLIEPXOUFU-OAQYLSRUSA-N 434.548 1.572 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC1CC1 1298801762 PFBNYSFSJNEYMW-CQSZACIVSA-N 448.325 1.301 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1300268896 WVXSFJOFQKBNCT-CYBMUJFWSA-N 438.579 1.223 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCn1c(O)nc2ccccc21 1300650246 RUNHOCKPSCBSCU-UHFFFAOYSA-N 425.493 1.258 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(C)nn(C)c2C)CC1 1300685068 FRCVIQAADMBDOH-JOCHJYFZSA-N 427.553 1.084 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NC)CC1 1300756824 UQAXOTJOIPIILH-UHFFFAOYSA-N 430.534 1.335 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1300889011 OQBWADBXGNBZNR-LMNJBCLMSA-N 443.523 1.940 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300983892 SBJNFEHDNBGMCP-UHFFFAOYSA-N 436.520 1.686 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)OC)CC1 1301126313 SRCFTEPRTWLGHT-IRXDYDNUSA-N 427.571 1.438 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301197891 QZMIIOJYBGTIJC-KRWDZBQOSA-N 445.568 1.929 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1301475412 QYVSEIXDLMYVAG-QGZVFWFLSA-N 426.521 1.721 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC)CC1 1301529058 HRFYKFJTTRWECT-UHFFFAOYSA-N 436.520 1.753 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1301579133 NYMBLJODOSHWFD-AWEZNQCLSA-N 446.499 1.947 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(CNC(=O)OC(C)(C)C)n1C 1304270675 ICWVZUNGJLGYQB-VBKZILBWSA-N 436.534 1.369 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)cs1 1304651811 OHIRVKZCJSVRFR-CZUORRHYSA-N 437.595 1.796 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 1307992788 OJLIQOQUDWXJKN-WMLDXEAASA-N 425.482 1.123 30 10 IDEE N#C[C@@]12CN(C(=O)NCCN(Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1313246607 FGCHSUUAUDFWMU-UGKGYDQZSA-N 439.541 1.668 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1314030469 CTIXIDHWZSOISQ-QZTJIDSGSA-N 437.504 1.810 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1(C)C 1315716495 KCQCDYKYZJNVPM-LJQANCHMSA-N 436.520 1.852 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1315744774 CLFLYLUSTGDTMX-CTNGQTDRSA-N 441.532 1.989 30 10 IDEE COCCOCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1316260488 HEMLUPQJJXQWDM-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 1358927892 MHOANFJMPFXJSE-UHFFFAOYSA-N 448.531 1.265 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1358960036 VDRIIMJIAUEBPF-FQEVSTJZSA-N 449.540 1.649 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358967479 LESRNULOSXBQMM-UONOGXRCSA-N 440.476 1.396 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1cccc(S(=O)(=O)NC)c1 1358980958 QERCSVXHFQGMNQ-UHFFFAOYSA-N 439.566 1.960 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1359024884 XWTFQNPKWBSEPI-SFHVURJKSA-N 431.562 1.602 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)C(=O)NC)CC1 1359042503 JEMQELOQAWMDOG-UHFFFAOYSA-N 426.521 1.585 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359101658 QMQRRPRDJZIOAJ-YXTQBTIXSA-N 441.532 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359297984 IZBWYWVLBKDLGC-INIZCTEOSA-N 435.532 1.796 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1359303826 BXZUDOSPJQOTEO-MSOLQXFVSA-N 430.553 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)C1 1359334310 AKMBWMPJNCEWLO-UHFFFAOYSA-N 433.534 1.045 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1442746520 GHBGLKFTQLNCIB-QGZVFWFLSA-N 441.509 1.759 30 10 IDEE O=C1[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)CCN1O 1450156823 MDFMLEHZFNRZCF-ZDUSSCGKSA-N 431.308 1.642 30 10 IDEE Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1457196018 BKZQYWWHRPNWTE-UHFFFAOYSA-N 436.497 1.799 30 10 IDEE COCCS(=O)(=O)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1463148871 KDGFZIBNLYIWKK-YUMQZZPRSA-N 433.317 1.677 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)[C@@H]1CCCO1 1469869344 YJEKNWODPRVSHR-MSOLQXFVSA-N 449.552 1.167 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(Oc3ccccc3F)c2)CC1 1478918621 OUJANQPRHIJDKF-UHFFFAOYSA-N 446.504 1.913 30 10 IDEE CC[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1497523441 BNIYRFGQZGUBQQ-RGJVZEKDSA-N 429.525 1.569 30 10 IDEE CCN(CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1)S(C)(=O)=O 1502183903 HCKAGWINCWFYHR-UHFFFAOYSA-N 448.549 1.237 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@@H]1C 1504911489 VEYWNVIDIXHMHY-MBSDFSHPSA-N 440.548 1.779 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)C(=O)NCC2 1504940602 IBOAWPYKDVRLLJ-JKSUJKDBSA-N 426.521 1.932 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1507617103 QRONATSPROSTKV-HOTGVXAUSA-N 446.552 1.571 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507631643 FSMPGXCTUNWYSY-MKXGPGLRSA-N 436.578 1.350 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1507680079 XBSOATJGLVGIQH-INIZCTEOSA-N 431.566 1.391 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1508092674 SKCANXBDNXJFON-GJZGRUSLSA-N 427.596 1.204 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1515557209 BQOONITWCYDHAJ-GOSISDBHSA-N 439.564 1.842 30 10 IDEE Cn1cccc1-c1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1517404658 HNWCISLXKPQCSK-HTXNQAPBSA-N 425.493 1.425 30 10 IDEE COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1518547025 AUTNWTRLHKVYAG-OXJNMPFZSA-N 430.534 1.762 30 10 IDEE COCCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCS(=O)(=O)C1 1523593879 IJFMGHGNUNHKDA-MRXNPFEDSA-N 429.336 1.915 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(S(=O)(=O)NC(C)(C)C)CCC3)cc2C1=O 1537662926 WNGAGPDWXVKBJN-UHFFFAOYSA-N 433.530 1.839 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1539003319 BSCKGHLQQBBINF-WFXMLNOXSA-N 436.560 1.956 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539220363 REIQFTLNVARSTC-AZUAARDMSA-N 445.589 1.779 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539611979 FVHJSLGGFRDKLY-ZACQAIPSSA-N 437.566 1.119 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539627716 LBJIBUSOOLIWBP-DFEOGRTESA-N 446.552 1.925 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1540020417 URWDWHNIPNIIGQ-MRXNPFEDSA-N 427.509 1.481 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(=O)NC)CC1 1540867493 XWOFNQQQIZAKES-UHFFFAOYSA-N 433.516 1.758 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2)C1 1540882442 IOCCBGFOCJIQCQ-QAPCUYQASA-N 435.550 1.727 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542724789 FNUFDGLDAPWJJD-XOMICKMZSA-N 433.472 1.509 30 10 IDEE CC1=CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1542816021 JQQHMERFQBVKGB-FMQUCBEESA-N 425.493 1.083 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1543518406 SRKAUXDXYBYOPJ-UTKZUKDTSA-N 444.513 1.191 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1555197388 GEEWBUMHIMJFBM-MJGOQNOKSA-N 440.504 1.107 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1555756989 IZIOXOWWGJLCTA-FTGZGRIOSA-N 448.499 1.323 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCCNC(=O)C2CCC2)CCO1 1555996424 ZXQNPZQDTUUPEZ-HXUWFJFHSA-N 438.532 1.935 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)[C@H](C#N)C1 1556132218 GZBIMDPGRONUPE-IUODEOHRSA-N 443.435 1.363 30 10 IDEE CN(CCS(=O)(=O)c1ccc(C#N)cn1)C1(CNC(=O)OC(C)(C)C)CCOCC1 1560180330 ZZUVPQAJHMUTTH-UHFFFAOYSA-N 438.550 1.733 30 10 IDEE C#CCOc1cccc(OS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)c1 1561231970 YZCXVIWYVLWMRX-UHFFFAOYSA-N 429.450 1.720 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=C3CCCN=C3NN2)CC1 1565661628 INUXZLNWSACAAI-INIZCTEOSA-N 429.322 1.712 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3nn4c(c3Br)CCC4)C2=O)cc1 1568508155 KGODIVFZVXOYNA-CQSZACIVSA-N 428.290 1.994 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc3ccc(C(=O)OC)cc3[nH]2)s1 1569973216 JGAFYOVCQSAQHZ-UHFFFAOYSA-N 448.526 1.734 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C(=O)C1 1587955800 GZWZYDWUOKQWRG-UHFFFAOYSA-N 427.505 1.286 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1587989870 PQLBWRLGOFFLMZ-OAHLLOKOSA-N 430.513 1.316 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588124191 FFXHXNYMXFNUMK-UHFFFAOYSA-N 432.488 1.063 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1nccn1C(F)F 1588628919 QQCZMMJLIPLJOT-UHFFFAOYSA-N 433.419 1.732 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCCC)CC1 1588899613 TUGFJSGNPSXFIY-UHFFFAOYSA-N 438.532 1.446 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595523105 PSRMKKNORXRFGS-OPAMFIHVSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1595550358 CZMVKUMUQAEEMP-UHFFFAOYSA-N 432.598 1.909 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1595550550 FVBDXDRHGKNTJB-INIZCTEOSA-N 428.541 1.176 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595659371 WXLPZIFAXCAAKH-AZUAARDMSA-N 441.532 1.736 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1595785133 RCMPLVQBFHFSMU-UHFFFAOYSA-N 437.497 1.573 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1611287559 WVPUYLCVNVXMRI-QGZVFWFLSA-N 426.525 1.776 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1612748488 CSJJUXBRAMEPCV-IIBYNOLFSA-N 444.561 1.449 30 10 IDEE CN1C(=O)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)Cc2ccccc21 1629619673 XGIAPFUSHJSVQO-UHFFFAOYSA-N 426.498 1.511 30 10 IDEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1635115847 HPANXHSLRURUBC-AWEZNQCLSA-N 445.501 1.215 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(CO)(C(F)(F)F)CC3)C2=O)cc1 1636536074 ITDXXVQKEDYIHY-OAHLLOKOSA-N 438.406 1.927 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 1638811156 UDZISTAWUQZRCV-LJQANCHMSA-N 425.510 1.377 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1 1640762645 NVXZDOCIEPRHNG-QHCPKHFHSA-N 448.435 1.598 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1645680175 ZEXBMNLJTGDILV-VGSWGCGISA-N 425.570 1.968 30 10 IDEE N#Cc1ccc(C2CCN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2)nc1 1647860465 GNCVBPZASWFGGB-UHFFFAOYSA-N 447.539 1.921 30 10 IDEE Cc1nc(SCC(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)c(C#N)c(C)c1C 1648583903 VBZZDYVCGGOOPK-INIZCTEOSA-N 427.534 1.370 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)s1 1649370999 YWFFAHWXORMFDX-AWEZNQCLSA-N 448.570 1.249 30 10 IDEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)Cc2cncnc21 1650869034 IMXBSRLCZKDYEH-HNNXBMFYSA-N 425.514 1.895 30 10 IDEE C[C@H]1CCc2ccccc2N1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652998960 ZVBIZZLVEMYNCI-HNNXBMFYSA-N 438.484 1.591 30 10 IDEE COc1cc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccc1S(=O)(=O)N(C)C 1660012176 FWDQPBKWZCWIHJ-UHFFFAOYSA-N 444.517 1.566 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@]2(CO)C[C@@H](OCC)C2(C)C)c(C#N)cn1CCOC 1660529875 ALJFWOJTDQPQNN-VFNWGFHPSA-N 436.509 1.870 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)CC1 1661173795 JBQQDFVMIZSWKS-AWEZNQCLSA-N 439.607 1.911 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 1662588801 WIANHSRLWABMQP-UHFFFAOYSA-N 439.406 1.396 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)C1 1664280036 GJFVUEGWAJMFHK-MRXNPFEDSA-N 433.530 1.902 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)cc1 1665969183 KSWHIVIHCUORDN-UHFFFAOYSA-N 433.490 1.634 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1671820280 PDOUYJWKBFJSFF-XMDUPGNXSA-N 426.539 1.402 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1690083024 XQTDGEMGZSYHSN-UHFFFAOYSA-N 429.546 1.453 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCc2ccccc21 1690092587 NKKHPXQAJCTRRZ-XMMPIXPASA-N 446.511 1.845 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2CCN(CC)CC2)CC1 1690134679 AYRCKIYZGJQFBV-VXKWHMMOSA-N 444.624 1.879 30 10 IDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690503255 WJIYVSXUFDZRIV-UHFFFAOYSA-N 444.561 1.881 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1)C1CC1 1690545470 SBOBJEGFIKTONK-GOSISDBHSA-N 438.598 1.252 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\CC)C1 1690699557 GRBBYJBXTFHXAL-TZNMXKOXSA-N 425.555 1.359 30 10 IDEE CC[C@H](Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1694412166 ZUMJVTGNOAPPBY-JQVVWYNYSA-N 432.569 1.920 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1694423284 BRRYEDTXBSEANG-QGZVFWFLSA-N 439.520 1.494 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1695065276 NIDOLMWKBHFKRP-XDNAFOTISA-N 434.541 1.283 30 10 IDEE CO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698283881 GVROIPCXFJKWTQ-BZROSYFNSA-N 440.479 1.760 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1705497470 BFOGAECSQLCFQN-DLBZAZTESA-N 426.546 1.799 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705516640 GLSRZGBTMSWULB-INIZCTEOSA-N 447.540 1.239 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705564181 MFRMBRGNRGHAQL-MRXNPFEDSA-N 428.543 1.780 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1705574042 STETXDLZXRCLJC-HNNXBMFYSA-N 448.618 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1OC 1705576313 JOFTUNLVRMDXQD-QUCCMNQESA-N 442.541 1.473 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1705767620 PEVCGMSNGDBBRW-CABCVRRESA-N 428.459 1.649 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1705805893 ROWHGVHSQNMUGQ-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)[C@H]1CC 1705901546 ORVLHLUHGGXKRH-QGZVFWFLSA-N 435.488 1.617 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCOC1 1705902325 BWVLNCKQKLBVLE-QGZVFWFLSA-N 440.552 1.227 30 10 IDEE CCOCCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@H]1CC 1710836674 HDKLOFDPYBKPDI-QGZVFWFLSA-N 443.552 1.866 30 10 IDEE CN(C)CCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1711016120 AHKMTOWGGFTMSA-HXUWFJFHSA-N 436.520 1.438 30 10 IDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711087786 BGNXKLXAAAMDMB-UZYVYHOESA-N 435.488 1.417 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1712620310 IMJFSQKYOSLQHH-JOCHJYFZSA-N 440.504 1.251 30 10 IDEE CSCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1712813137 KOQUVPCYBDIEQR-CABCVRRESA-N 430.600 1.493 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1722296927 WBEMYJZEHJOWEN-MDZRGWNJSA-N 445.545 1.673 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1722430861 KIGOYMMIUYYSJH-HSZRJFAPSA-N 436.516 1.940 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCSCC2)CC1 1722438884 GFLICZRDOSOSPK-UHFFFAOYSA-N 446.571 1.951 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[S@](=O)CC)CC1 1722441316 LHFSDZKLDURRIZ-SSEXGKCCSA-N 431.562 1.390 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1722463657 JCWJMZBEQKMCCG-KRWDZBQOSA-N 431.537 1.883 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@H]1CC 1722502345 IGCUGQLUUIVHLQ-NSHGMRRFSA-N 427.553 1.836 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722685867 KAHVPNDIBFMCEQ-GVDBMIGSSA-N 446.552 1.830 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C(=O)NC)cc1 1722705618 GBELRAKZVHURLQ-CRAIPNDOSA-N 426.521 1.661 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC)CC1 1722723609 ASBDDZCMTPGZOK-AWEZNQCLSA-N 433.600 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1722725697 QSADJSRJDXARHI-IRXDYDNUSA-N 437.566 1.263 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1722726224 ZEYYWROXGIDRAG-JKSUJKDBSA-N 425.555 1.165 30 10 IDEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1724840857 GUSSYTGWJFXJOI-UHFFFAOYSA-N 427.530 1.913 30 10 IDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n[nH]1 1725452873 GGXDKPQYSWWRFE-KBPBESRZSA-N 442.549 1.744 30 10 IDEE CCc1cnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)s1 1727425511 AXLHPGANQSFLIG-CYBMUJFWSA-N 437.595 1.890 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1729203804 GQPSKIOQJXBYIL-DFNIBXOVSA-N 429.546 1.849 30 10 IDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1730768432 NCUNWZVSIBPFHT-UHFFFAOYSA-N 425.493 1.037 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(C(=O)OC)CC1 1730840797 LAEBRSUENJQUNN-FOIQADDNSA-N 438.504 1.922 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1730945515 FOTGNDMDRYFOPX-FIKGOQFSSA-N 436.532 1.555 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCCC1 1740604774 GUCOTURAVLYORN-UHFFFAOYSA-N 433.520 1.783 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740660848 GJPNAKKOOLIFPO-UHFFFAOYSA-N 449.559 1.322 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC)c(OC)c2)CC1 1740688974 MSVMMEZVOMKBHP-UHFFFAOYSA-N 440.548 1.627 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1740732103 RMHQENZVJAMRSF-WOCWXWTJSA-N 437.566 1.028 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCN(CC)CC1 1740895081 QWUHVHHAEHBRMV-UHFFFAOYSA-N 436.568 1.571 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1 1740988509 HBOAWSGCJRKDHQ-UHFFFAOYSA-N 435.941 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCn2nc(C)nc2C1 1740992925 PQOMBCKZFOJRLV-UHFFFAOYSA-N 441.561 1.698 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O)[C@@H]1CCOC1 1747656043 GBECWQZQGDBAOR-QGZVFWFLSA-N 426.477 1.796 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C1CC1)N(C)C 1748649382 OBLNGSWJJABWFD-OXJNMPFZSA-N 444.605 1.994 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c(OC)n1 1748806658 BMGLUKTWSWPFPV-HIFRSBDPSA-N 434.522 1.237 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748811504 IDDRNUJNQLKJPE-LMMKCTJWSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1748818143 WHFOTOTZPSZVEE-QGZVFWFLSA-N 431.562 1.945 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccsc2)CC1 1748978904 SPPGZJUVCRPVMU-UWJYYQICSA-N 433.578 1.727 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCN(CC)C2)CC1 1749008951 DQKYVOMEKZRLMC-AZUAARDMSA-N 428.581 1.827 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749082913 HMPYAFRMVSJLKR-LBPRGKRZSA-N 434.360 1.292 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1749126531 DGLHCMBMIDGGKF-HLIPFELVSA-N 430.553 1.659 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1749127928 PVVWKLMYMMWCCV-MLYOOKFZSA-N 433.553 1.841 30 10 IDEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)c1ccccc1 1749385731 UCFBGWHPQFFQKR-ROUUACIJSA-N 429.546 1.476 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@](C)(CC)C1 1749666178 IONBCSOQGXOYBX-QFIPXVFZSA-N 437.504 1.901 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749671481 BYCMCCUAPYQYHK-MSOLQXFVSA-N 444.486 1.697 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749680589 MNZJIMMBYPIJIL-OALUTQOASA-N 438.532 1.715 30 10 IDEE CO[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1OC 1750189904 BSECVOFQCPRTGP-QZRVHFQPSA-N 444.536 1.387 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760185620 ACLCPVHWRQZKQN-GOSISDBHSA-N 429.546 1.217 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCCC3=O)c2)CC1 1760251540 CFSSGVHIBROYAG-UHFFFAOYSA-N 449.559 1.347 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760279913 BIQSHIFQGOYBKI-GVDBMIGSSA-N 425.624 1.466 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760413161 ZKTGIGGOLJDULD-LSDHHAIUSA-N 432.612 1.652 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760435947 BNDGKTQKBSYNHC-SFHVURJKSA-N 449.581 1.276 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760515195 QUXUIYMGJSCBPH-LJQANCHMSA-N 449.515 1.266 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Br 1760521001 GYSRHFVAOYUYKB-OAHLLOKOSA-N 447.337 1.930 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1760554725 KZUUJOMBYFCVBG-UHFFFAOYSA-N 438.598 1.462 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1760803562 HVAAJAHXTYEZFY-OAHLLOKOSA-N 443.595 1.133 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1761362151 ANLKIKIHHHJBIL-WBVHZDCISA-N 432.550 1.801 30 10 IDEE CCCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1765734734 LBLBFMONOGOXOV-UHFFFAOYSA-N 440.552 1.683 30 10 IDEE CCOc1ncccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C#N)C1 1767640745 FEEVTAOVTPLTPS-KRWDZBQOSA-N 427.509 1.767 30 10 IDEE CCS(=O)(=O)NCCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768286647 YDTSVAQEZOEKDB-SFHVURJKSA-N 435.598 1.442 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1770019547 YHVJRUWAFBUARL-GPMSIDNRSA-N 425.555 1.567 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1770106293 GFYQOJUUSDZENJ-SIKLNZKXSA-N 427.505 1.864 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1771178639 DCRLBNURNSHMPB-GOSISDBHSA-N 433.601 1.768 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1772842419 BWGKEXOLQVCHBL-GJZGRUSLSA-N 442.524 1.080 30 10 IDEE C[C@H]1COc2c(C(=O)O[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)cnn2C1 1852505991 UOVCNWCQULSMKN-VQIMIIECSA-N 426.473 1.720 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)cnc2c1C#N 1853359930 SLRKDJNRAFUKLR-UHFFFAOYSA-N 428.456 1.464 30 10 IDEE Cc1ccc(C2=NOC3(CCN(C(=O)CCON=C(N)c4ccc(C)n4C)CC3)N2)cc1 1853606360 QSZFNBBDSLBQIR-UHFFFAOYSA-N 438.532 1.969 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@H](N(C)CCC#N)C2=O)c1 1854338632 PZCBIWFKVNQMQL-OALUTQOASA-N 432.546 1.511 30 10 IDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2nc(Cc3ccc(OC)cc3)[nH]c2c1 1860971763 YNIIDJSQXOWQSD-LJQANCHMSA-N 435.484 1.438 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN(CCO)CCO 1870338224 WQUJHVXNMDEUBW-UHFFFAOYSA-N 445.516 1.237 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCCO 1870535696 GXWOFFOFLWDKSW-UHFFFAOYSA-N 434.581 1.242 30 10 IDEE CCN1CCN(C(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1872678662 GKTWWSZMBDOKDP-UHFFFAOYSA-N 430.490 1.287 30 10 IDEE COc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(OC)c1O 1873529253 QCDCACYWBLYNRW-FQDFOOGXSA-N 442.881 1.425 30 10 IDEE C=CCC1(NC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2022808097 WBFWJUHDVCXFBD-ILXRZTDVSA-N 441.525 1.009 30 10 IDEE N#Cc1c([C@@H](O)C(=O)O)ccc(I)c1I 2060278393 GVOWBAYTHAIWMB-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE C=CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2116269663 NXVXNNYSQSICJR-AAEUAGOBSA-N 429.315 1.974 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2136345977 XOLUQANKRRPFCY-BBWFWOEESA-N 448.325 1.265 30 10 IDEE COc1ccc(C#N)cc1CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195273535 YKBZUKPPHLQVDS-QGZVFWFLSA-N 432.454 1.861 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(=O)NCc3ccccc3)cc2)OC1(C)C 2247952994 QQCGLUCAIRYIGY-UHFFFAOYSA-N 430.335 1.581 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247986079 QJOKHYPKQNNOLI-GJZGRUSLSA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248403740 GBHUHOKYWMMKSN-HAQNSBGRSA-N 438.359 1.891 30 10 IDEE CC1(C)OB(C#CC(=O)N2CCO[C@@]3(CCCN(C(=O)C(F)(F)F)C3)C2)OC1(C)C 2255602599 UWWOIFRZLPDVSG-SFHVURJKSA-N 430.232 1.404 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630071 FINMJSIHCOIJAM-UONOGXRCSA-N 436.318 1.073 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2255635046 DPGDXSUNFCWBGM-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)[nH]n2)OC1(C)C 2255826759 RSBAXXFWYGJNRN-NSHDSACASA-N 430.236 1.240 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831053 PJBGLLLSGPDRSS-YUELXQCFSA-N 432.330 1.837 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255842264 OSQUNVUQHICABH-NSHDSACASA-N 447.288 1.973 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256927350 JVXBUAHMKYFCRR-QGZVFWFLSA-N 426.278 1.781 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)n1 2267196744 GMRVPGHZBKKKHB-QFIPXVFZSA-N 446.357 1.945 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267594269 QKWINAVBPIHKDV-HOTGVXAUSA-N 447.341 1.481 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2270584010 HWEJBKPNQZAVGB-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE COCCNC(=O)[C@@H]1C[C@@H](Oc2ccccc2)CN1S(=O)(=O)c1ccc(C#N)cc1 2297645208 IGQZQMBYDSLEKL-QUCCMNQESA-N 429.498 1.531 30 10 IDEE CC1(C)OB(c2sncc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2300297869 CTLKSTDZVCJOHA-HNNXBMFYSA-N 432.307 1.842 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC1 2300333449 FKHMSMXAUZFSLQ-UHFFFAOYSA-N 438.359 1.640 30 10 IDEE C[C@H](C#CC(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO)NC(=O)OC(C)(C)C 2302415850 ULMQQHGMHINMGS-VQHPVUNQSA-N 437.537 1.589 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2315529018 PQPFFASMOSXIKY-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE COc1ccc(OC)c(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329013170 OORIIDGMPUXCFA-CQSZACIVSA-N 446.533 1.479 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCCC3CCN(CCO)CC3)nc2)OC1(C)C 204882809 MQUPECIOJNJXQC-UHFFFAOYSA-N 439.387 1.034 30 10 IDEE CC(=O)N1CCCC[C@H]1CCCS(=O)(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208048191 FGYXBOOZFSYHTD-KRWDZBQOSA-N 437.371 1.731 30 10 IDEE COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)c(OC)c2)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 252634846 WRTHZMHZNDOZGW-YXTQBTIXSA-N 425.441 1.051 30 10 IDEE CN(CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1ccc(F)cc1 438009820 VXFIVOWXJDHUGD-UHFFFAOYSA-N 446.508 1.245 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)CC1 438251767 IWYQOBHMRQYLOR-UHFFFAOYSA-N 449.577 1.196 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c(F)c1 480738484 XUQXQVPBUWTZGE-MRXNPFEDSA-N 443.456 1.524 30 10 IDEE N#C[C@@H](NC(=O)Cn1cc(Br)c(O)nc1=O)c1ccc(Br)cc1 499425306 XGMPGVHFPSMLPT-LLVKDONJSA-N 442.067 1.855 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCNS(=O)(=O)c2cccnc2)cc1 503669567 GLHOCXSSAMEYOA-QGZVFWFLSA-N 445.526 1.162 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 508826135 HKXMYDLOTIIYOL-MJGOQNOKSA-N 447.561 1.702 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2COCCO2)n1Cc1ccccc1 517063594 RKFZRTSFMHBSCK-PXNSSMCTSA-N 446.515 1.791 30 10 IDEE COC(=O)c1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 539365190 XGTCYMZMXRWFMF-UHFFFAOYSA-N 427.482 1.420 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 549639420 VJRAWYHUAKGQCG-MRXNPFEDSA-N 425.555 1.194 30 10 IDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 583000008 OSAHKHJNACQSSY-LJQANCHMSA-N 427.482 1.353 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2C)c1=O 603797165 DFKRFTAWDWUOBU-UHFFFAOYSA-N 445.544 1.878 30 10 IDEE Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 608879379 JUEZXHBUOCUVBD-KRWDZBQOSA-N 430.511 1.668 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1 728094334 IDTVZZGDPWRDPS-ZDUSSCGKSA-N 442.449 1.357 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2ccccn2)C1=O 730143362 AJRVSXHDNQAQTO-MJOLOOBESA-N 440.573 1.587 30 10 IDEE C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742658675 AIPDZCBMKKXUSE-QAPCUYQASA-N 440.525 1.768 30 10 IDEE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F 749928756 GGIWJAXJBZVPHG-CQSZACIVSA-N 430.527 1.337 30 10 IDEE CCS(=O)(=O)NCCCOC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 753326701 RQORHVWAIPLQCH-UHFFFAOYSA-N 427.426 1.642 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cc(-c2cccc(OC)c2)nn1C)c1cc[nH]n1 772487192 GNANRXWKMZEQPE-UHFFFAOYSA-N 426.433 1.741 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)c3cccc(F)c3F)C2=O)cc1 774998781 MJRAHGQUHBTLSG-AWEZNQCLSA-N 448.407 1.547 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 787884276 SWKNVRRKIYVEGP-LJQANCHMSA-N 434.500 1.407 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796710269 NRIWYGYUKPWIEV-VQIMIIECSA-N 443.529 1.793 30 10 IDEE Cc1ccc(CN2CCN(Cc3nnc(N4CCN(C5CC5)[C@H](C#N)C4)n3C)CC2)cc1 800769155 WMBPVFYNJHVIJQ-JOCHJYFZSA-N 434.592 1.618 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)c3cc(C#N)ccn3)CC2)cc1 803849204 XKKCZCQEEBFYJI-MRXNPFEDSA-N 442.497 1.340 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811230656 VAWJCXFCELSDDE-RHSMWYFYSA-N 436.534 1.598 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 818638077 BKTXITANRKJPBH-DGUGEYBOSA-N 428.464 1.910 30 10 IDEE COC(=O)c1cc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1168538125 OETUNDYCTUASOK-MRXNPFEDSA-N 444.513 1.638 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(NS(N)(=O)=O)CC2)n(Cc2ccccc2)c1C 1196798264 JZRRRYVTOBMYSG-UHFFFAOYSA-N 444.561 1.221 30 10 IDEE C#CCN(C)CCCNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1220402240 CXHSTXXKQADFSU-UHFFFAOYSA-N 433.557 1.428 30 10 IDEE Cc1nn(C)cc1C1=NO[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 1264633901 FFFKWHZLTZYPCC-LNUHTHKGSA-N 444.517 1.673 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286325397 XWWHVDSHYJURQR-QZTJIDSGSA-N 425.537 1.983 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C)c2)CC1 1286471415 JWCSMCHCEILLBM-GOSISDBHSA-N 430.578 1.195 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C(C)C)C(C)C)CC1 1286471925 TUYIDRXHPJHQLT-UHFFFAOYSA-N 429.613 1.778 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nccs2)CC1 1286488912 YAUHDCJPKAJOON-HNNXBMFYSA-N 432.550 1.473 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1286523227 RTPUZVWXNKABJU-YLJYHZDGSA-N 449.602 1.907 30 10 IDEE C=C(C)Cn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286598786 CYIXNCUYIALMDX-OAQYLSRUSA-N 431.541 1.910 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1286634669 ZMZPVNVYAYWTQZ-UHFFFAOYSA-N 446.596 1.843 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1)C1CC1 1286732050 ZOQNMMJUZXHBHO-OAQYLSRUSA-N 434.610 1.779 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1286785968 KZQKFNJGNQUDRM-IRXDYDNUSA-N 444.923 1.763 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286789817 IAYJDWSZNHNYPK-SFHVURJKSA-N 437.504 1.635 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCO[C@H](C)C1 1286822424 JTXLDHZHJARGGE-QGZVFWFLSA-N 444.561 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(CO)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286824960 KRZCXSWUOOMLPQ-FQEVSTJZSA-N 442.582 1.128 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1288249171 OAQWBMLNFDSAPC-NRFANRHFSA-N 449.559 1.808 30 10 IDEE C[C@@H]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1291055392 GBNDJMXXWLJFKT-BPQIPLTHSA-N 436.582 1.787 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1291325292 HMJIKYRZVXKIGE-KSFYIVLOSA-N 425.537 1.709 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1300404559 ZXHCIYTYMPREJD-MRXNPFEDSA-N 433.516 1.697 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1300411541 SUSSMNTYZHDIML-QFBILLFUSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300486776 AZUWTZWHUPYLTP-MOPGFXCFSA-N 444.605 1.642 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1301346731 JIWSXKXBVILVGV-FUHWJXTLSA-N 435.550 1.496 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOC[C@@H]1C 1301593551 PHODDDIMOFIVGL-INIZCTEOSA-N 436.534 1.692 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@@](COC)(C(=O)OC(C)(C)C)C3)cc2C1=O 1301752060 KUUVKNVTYXBHFK-QHCPKHFHSA-N 444.484 1.668 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1301861937 BJOUANVYBSCQGD-OXJNMPFZSA-N 432.525 1.867 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1307818414 FWIPSYUTYWHCHU-NVXWUHKLSA-N 431.541 1.891 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCC[C@@](C)(C#N)C3)CC2)cc1 1312978320 ULLNWXFLDFYXIB-NRFANRHFSA-N 449.577 1.482 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1314961151 KIPJQJSMKYKPCG-NRFANRHFSA-N 428.562 1.895 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1316531440 JJBAEGQZIQIGLJ-APWZRJJASA-N 434.497 1.462 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CCN1CCOCC1 1317737450 XUACDITUYUKFAJ-UHFFFAOYSA-N 448.573 1.997 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1337677239 GAJCNRCXHIKZKZ-MJGOQNOKSA-N 449.573 1.874 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358900787 RXCCRRWPXGQQND-BRSBDYLESA-N 437.610 1.936 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1358915918 UCRKEVMBTVPBTM-UHFFFAOYSA-N 436.582 1.064 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCNC(C)=O)Cc1ccsc1 1358930391 USUACLVNTUAGGB-GOSISDBHSA-N 449.602 1.798 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1358955134 FJEFYHWMLJMASI-KRWDZBQOSA-N 447.536 1.539 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358959674 NOOIOGNORFCCNM-KRWDZBQOSA-N 446.529 1.726 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1358960908 OAKLDPUZCAPCBH-QFBILLFUSA-N 434.591 1.591 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358967088 DDZYQJLNIJAWIX-INIZCTEOSA-N 436.509 1.659 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1358967773 RRAAPTRLLUYYSP-KSZLIROESA-N 436.578 1.819 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1 1359020290 XUIOWFSMVZVKPZ-HNNXBMFYSA-N 438.326 1.548 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(C(N)=O)CCCC2)CC1 1359043172 JZNZDKAEWBPGIO-UHFFFAOYSA-N 434.544 1.957 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CC2)CC1 1359045258 AUHCINHNTSQYIN-UHFFFAOYSA-N 435.594 1.410 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359101873 TVJCBJUXMLNOGD-BJLQDIEVSA-N 431.562 1.868 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359126378 NSEMSGAONQWJGM-YESZJQIVSA-N 427.571 1.344 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1359227986 QVAWSYBKLSVUDQ-KRWDZBQOSA-N 439.582 1.078 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1359295458 BQHKBAIPMTXELI-INIZCTEOSA-N 442.520 1.355 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359301648 FWMBJKVAYNZNGL-DEOSSOPVSA-N 449.559 1.965 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1359311750 HKEQJKGELCDNIE-RDJZCZTQSA-N 439.582 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccco2)C1 1359330780 CREDSJWMUCHFEG-KRWDZBQOSA-N 430.490 1.507 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(C2CC2)CC1 1360680618 FXIYOULCQZVVBG-KUHUBIRLSA-N 439.561 1.205 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1360713044 FBSRPOQELJLZOM-QXRTWZOPSA-N 448.524 1.875 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(I)nn1C 1435550343 CBWKSEFJXODPRK-JTQLQIEISA-N 437.245 1.037 30 10 IDEE Cc1ccc(NC(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1Cl 1441609775 DBYJXTBJISVZSV-UHFFFAOYSA-N 430.852 1.159 30 10 IDEE N#C[C@@]1(C(=O)NC[C@@H](O)COc2ccc(I)cc2)CCCOC1 1445805189 UFPKRCPVXJONQS-CJNGLKHVSA-N 430.242 1.467 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1446600280 LIIXLVPARPPFQF-UHFFFAOYSA-N 438.868 1.907 30 10 IDEE C=CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)OCC 1449702559 XMBCALXHBSPSAV-ANIPCXSSSA-N 427.501 1.804 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1450164750 LIWHILJNZUHNKZ-MSOLQXFVSA-N 433.461 1.048 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1463719988 HDPLHBHCTONBFI-HUUCEWRRSA-N 435.974 1.354 30 10 IDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1466317044 FGPGSVAAJLHAOD-SJORKVTESA-N 436.505 1.590 30 10 IDEE C#CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(C)CC1 1472033548 BGLMOMWANZGSCV-UHFFFAOYSA-N 430.574 1.842 30 10 IDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618703 DWSFXJCVXFKBRI-SFHVURJKSA-N 441.488 1.387 30 10 IDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)CC1 1475292582 HFYJZEJFUPISJB-UHFFFAOYSA-N 444.307 1.875 30 10 IDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1C#N 1479276704 YBTVTOQTMWADFY-UHFFFAOYSA-N 443.485 1.991 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1501566888 UBOBTQZAQKIPSK-DYESRHJHSA-N 442.545 1.308 30 10 IDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1504041087 BWJRVGIYYGPOPY-SFHVURJKSA-N 445.545 1.921 30 10 IDEE COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504859029 QLIBTZDATKDHEY-LJQANCHMSA-N 429.594 1.685 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1504887709 DEPRXGMENTWSMS-JKSUJKDBSA-N 440.570 1.024 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1507537184 GVLSEJBHIYPNPD-OWCLPIDISA-N 439.582 1.799 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N2CCOCC2)CCSC1 1507622838 NODHDDPMQPODFU-WFXMLNOXSA-N 435.594 1.279 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1507630119 TXXVIYBBYSJZSA-OAHLLOKOSA-N 449.964 1.751 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC)N2CCCC2)CC1 1507718103 BLFBBAFJVDEDMT-XUZZJYLKSA-N 444.624 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCOC2)CC1 1507722519 ZEGPFYOIQNLJMJ-GBXCKJPGSA-N 439.560 1.942 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507750383 SOQVNXFQMCIMHB-GOSISDBHSA-N 443.621 1.687 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507758591 PXPVLDUPQNZQJP-LAUBAEHRSA-N 433.578 1.496 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1507783454 CUVOTGMYZSYSGH-CYBMUJFWSA-N 436.376 1.754 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507803834 HIMPDQZWAUNQIA-FPOVZHCZSA-N 446.596 1.364 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1507935769 UOJKODCJILZCQL-UHFFFAOYSA-N 443.552 1.572 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@@H]1C 1507979011 YKEIKANWAVJPQK-INIZCTEOSA-N 433.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 1508087913 UWBFYAQYIXEMFJ-QHCPKHFHSA-N 442.539 1.611 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1508090393 HQKLYTSIQDPAED-WMZOPIPTSA-N 441.488 1.890 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1508093922 DVJWQLLIUCSONQ-UHFFFAOYSA-N 428.493 1.090 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CC(OCC)C1 1516538078 FWSLOCOTSOTOAJ-UHFFFAOYSA-N 428.493 1.280 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1519401493 JTGKGOJAOCQQTI-FQEVSTJZSA-N 437.504 1.582 30 10 IDEE COCC(COC)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1528844514 IDFNLVXEMJPRDB-UHFFFAOYSA-N 426.311 1.505 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1532954124 HVNXVKBYFAHVRL-IBGZPJMESA-N 426.498 1.421 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc(CS(=O)(=O)N(C)C)cc3)CC2)o1 1537492422 ZNPZWUWZTHHDPF-UHFFFAOYSA-N 445.545 1.779 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1539085662 OMPWKDGZWPRUGR-UHFFFAOYSA-N 429.594 1.931 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1539204080 YMVXNMAFRJURNP-KURKYZTESA-N 430.578 1.877 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539206782 VYEJABYAYYPQIE-UXHICEINSA-N 437.610 1.350 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539220219 HPNFQAQJUVZGQZ-DJIMGWMZSA-N 449.602 1.977 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1539239279 JGFITMQJPFVXCM-QZTJIDSGSA-N 441.557 1.918 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@@H]1C 1539405807 MCUGWMQBQCAVQC-SFHVURJKSA-N 441.532 1.523 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2CC(F)(F)C2)n1 1539423772 FSKPNAGDFNMEGP-QGZVFWFLSA-N 447.490 1.757 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC)c(OC)c2)CC1 1539446586 GUDJQKDWBGYMOS-IBGZPJMESA-N 425.533 1.993 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCOCCN(C)C)CC1 1539470384 NMEKMVIWOGRJBZ-UHFFFAOYSA-N 428.537 1.391 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCOCC1 1539538063 BDHOZLLEDACPCS-VQIMIIECSA-N 439.582 1.324 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4cccc(C#N)n4)CC3)[C@@H]2C1 1539543398 FZBFQWGKACBCRU-MSOLQXFVSA-N 441.488 1.998 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)C(=O)C1 1539580574 YJPJLGZWNQIDLI-ZDUSSCGKSA-N 428.331 1.722 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1539802936 CESSRRAVWRIZBL-OAHLLOKOSA-N 429.974 1.234 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1540187119 LKCPMTYMAUKTCU-INIZCTEOSA-N 435.550 1.533 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1540862013 OIZKSZYNRVSTQD-NVXWUHKLSA-N 444.561 1.844 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)n[nH]2)c1C 1545582278 SKSLDGAQMYDWDW-OAHLLOKOSA-N 439.472 1.974 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1545877550 FRQFMQDYTVPZQJ-OAQYLSRUSA-N 449.575 1.874 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1545928481 BJNSKCMTYFBRAZ-QGZVFWFLSA-N 433.557 1.036 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCNS(C)(=O)=O 1546529582 VIPGMIQFZOPATF-UHFFFAOYSA-N 435.529 1.117 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2ccco2)N(C)C)CCOC1 1547917946 CRRFVBPIGMVBED-CSODHUTKSA-N 430.509 1.555 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1554819441 CXHYMLXTRLFNDM-CVEARBPZSA-N 432.550 1.974 30 10 IDEE CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)ccc1Cl 1560184036 DFYMPDWOIHHWQG-UHFFFAOYSA-N 441.937 1.867 30 10 IDEE COc1ccc(C(=O)N2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCOCC1 1584865361 LUCKHYLBYGFYHP-UHFFFAOYSA-N 427.482 1.744 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1587707241 YJMAXBLXCHYNII-DLBZAZTESA-N 438.598 1.433 30 10 IDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587739254 SLBYVQGTNJBPDW-UHFFFAOYSA-N 447.543 1.793 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588054422 NQCKVXKHAIUURD-DLBZAZTESA-N 433.578 1.682 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1 1588074799 SCJXQQVQAUFTFX-UHFFFAOYSA-N 434.544 1.370 30 10 IDEE C#CCSCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OCC)CCOC1 1589124849 CDZOYBHPMPYBQX-OAQYLSRUSA-N 433.578 1.403 30 10 IDEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNS(C)(=O)=O)CC1 1594035816 MTVDOQZIFHQIJB-UHFFFAOYSA-N 429.344 1.741 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1595223415 UDFWAVIMOHJKNO-FQEVSTJZSA-N 438.500 1.875 30 10 IDEE C=CCn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595452824 CXKCJISTFIULJZ-HXUWFJFHSA-N 441.598 1.803 30 10 IDEE Cc1ccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1612018114 INHMAFUUFXPEDW-MEUCICPISA-N 426.477 1.846 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C(C)C 1616484785 AHTBNAROFFANHT-KRWDZBQOSA-N 442.520 1.757 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CC2=O)cn1 1618413170 ZXWTZZUBAJLMBW-UHFFFAOYSA-N 434.504 1.566 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1618837849 DDUHHCGUJHRANE-JXFKEZNVSA-N 448.524 1.570 30 10 IDEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1619244741 HSPWGRVIVRWYFW-SFHVURJKSA-N 440.504 1.503 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)C(=O)OC 1626184278 RCMXPMCIRBSTKP-GOSISDBHSA-N 444.509 1.811 30 10 IDEE C=CC1(CC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1627247125 YLNXZHMTPRCBQT-UHFFFAOYSA-N 429.583 1.425 30 10 IDEE Cn1c(S)nnc1CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1628536985 HRPJQAHEFGNCQU-DMAKZNTKSA-N 434.566 1.939 30 10 IDEE Cn1cc(Br)c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1=O 1629027573 CIBHVJXMTNXGIB-UHFFFAOYSA-N 432.278 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 1630379801 YOXHZUDQZJZPIB-RYQLBKOJSA-N 428.489 1.542 30 10 IDEE Cc1cc(C(=O)N2CCN(c3ncc(I)cn3)CC2)ncc1C#N 1648472271 QJJPQCOTTVFXGG-UHFFFAOYSA-N 434.241 1.619 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 1652938233 QIQSWEPSSFKSDB-GOSISDBHSA-N 446.463 1.313 30 10 IDEE N#Cc1cn(C2CN(C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)C2)c(=O)nc1O 1653759560 CKOWYVKYUWSAIA-UHFFFAOYSA-N 426.820 1.540 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)C2)c(=O)nc1O 1653759769 IYDSIOPPECOYGP-UHFFFAOYSA-N 430.346 1.722 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccc(C)c(C#N)c2)cc1 1654806795 VXSCSVNLYJFKQP-UHFFFAOYSA-N 442.541 1.943 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1669081156 DDAVVXADITTXML-HZPDHXFCSA-N 433.509 1.328 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)CC1 1671306207 YYHGEBVHIHDDMA-LBPRGKRZSA-N 434.440 1.283 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1689978312 RXJFLCZEYDUCID-CQSZACIVSA-N 429.493 1.088 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C 1690508679 MZSHDYSHZLOXOP-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2)C1 1690670963 MNWGCSHFAGGKAC-ROUUACIJSA-N 429.546 1.476 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](COCC)C1 1690672283 NSSOZOBMPRYUTD-LPHOPBHVSA-N 427.505 1.956 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1690693460 BBDWVBCXIAIVIM-KRWDZBQOSA-N 433.534 1.061 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C)CC1 1690724975 ZYOLFPZBXNIEGU-HZPDHXFCSA-N 430.596 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1690725165 HRNMHCILSCMQCL-KRWDZBQOSA-N 437.610 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OCC)CCOC1 1690731899 SPTVTJLNFGRNSZ-FQEVSTJZSA-N 437.566 1.661 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1690993182 GRDNJVUXVLMDEE-LSDHHAIUSA-N 431.522 1.489 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1692661675 FLUJMLVTCHUXBX-KGLIPLIRSA-N 436.504 1.803 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccc(C(N)=O)c2)cs1 1693363241 ZRRGNINTLZHPCA-SFHVURJKSA-N 437.529 1.704 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693819167 XNQZZKOERZTGNG-ANNUQZOISA-N 440.479 1.760 30 10 IDEE C#CCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705538986 GNTWFYCHBJIKJE-RTWAWAEBSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1705569107 ZKMOVJWTOOXYTD-APWZRJJASA-N 432.546 1.543 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1705628856 RBIDTBFSVPFTRH-HNNXBMFYSA-N 446.558 1.319 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1 1705629031 VPKMDPUNFVXBPW-SFHVURJKSA-N 432.546 1.632 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)C2CCCCC2)CC1 1705632301 LVLPQBYIUALWFV-UHFFFAOYSA-N 429.613 1.826 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1705635374 XOFYDAJZXYHCJQ-AUSIDOKSSA-N 430.597 1.557 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1705650151 NEJLIBFXLIUWPG-UHFFFAOYSA-N 440.523 1.684 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)CC1 1705781990 MANLXEHFYJCJPN-QGZVFWFLSA-N 442.607 1.407 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1705818443 JZRFLWREWBFCCE-UHFFFAOYSA-N 445.549 1.144 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1705824553 TUPILXHCOPSRPO-JOCHJYFZSA-N 448.568 1.070 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705937168 KZJPSQHBAZLOKL-MRXNPFEDSA-N 438.575 1.921 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1705937924 ISRWXJZLPDTSDD-GOSISDBHSA-N 442.501 1.058 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCCN2CCOCC2)CCO1 1712886176 KTQTWCRAXBUMNW-GOSISDBHSA-N 444.511 1.837 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1722331950 BBKZDKSXXGBQRA-NRFANRHFSA-N 441.601 1.958 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCC1 1722420873 MKMWKSYGPVDERL-UHFFFAOYSA-N 447.517 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1722442316 VFSJWJKAJZRCSO-HSALFYBXSA-N 430.597 1.773 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(S(C)(=O)=O)CCC2)CC1 1722445406 WTQDYPDDPIYGHW-MRXNPFEDSA-N 435.594 1.725 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722479183 GEBXDIRJYZIQFD-SUMWQHHRSA-N 444.330 1.942 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1722592845 ADBZHUMCYQIJNA-AVRDEDQJSA-N 435.569 1.874 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)COC)CC1 1722700170 YSAUJFGPCKOSOG-UHFFFAOYSA-N 440.548 1.211 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1723778145 DJOYTLIIIDTBGC-MJGOQNOKSA-N 446.577 1.982 30 10 IDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1724003260 KORLCHXNXCIQLR-YYIAUSFCSA-N 431.468 1.826 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CC(=O)N(C)C)n1 1726132644 GWFVILCTZMHZDY-HXUWFJFHSA-N 448.531 1.678 30 10 IDEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1730928061 VVKIDPINHKSVMN-SFHVURJKSA-N 427.509 1.038 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1731186071 NRRBLYJZWVTIAO-SJLPKXTDSA-N 439.495 1.452 30 10 IDEE C#CCCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740579754 VXQUHPLOIIPHHU-HXUWFJFHSA-N 439.582 1.205 30 10 IDEE C#CCN(c1nnc(C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740617208 NWNIQDZNVJWMBN-GOSISDBHSA-N 449.577 1.780 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)C2CCCCC2)CC1 1740694324 GMBOVCDHGDHZDZ-FQEVSTJZSA-N 427.597 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(F)(F)F)CC1 1740703359 PELRAZDQZHPIMA-SFHVURJKSA-N 429.443 1.458 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](COC)OC)CC1 1740704772 XKPIIWAAFNTUKV-IBGZPJMESA-N 425.533 1.881 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740861314 ITYRUAOLPDURLL-QGZVFWFLSA-N 426.569 1.824 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1740897645 PFUNARGAJVXYGN-UHFFFAOYSA-N 431.447 1.678 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)N(C)C)C1 1740977202 SFGSDGQALTWISI-IRXDYDNUSA-N 447.609 1.970 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1741120275 HZSNEBZCJNFYHU-HXUWFJFHSA-N 441.511 1.993 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1745343133 RASUZBHHDPYAKC-MEUCICPISA-N 425.493 1.805 30 10 IDEE CCN(CC)C[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1746172046 HAHZIOPWJCBGKI-YGCDDZCOSA-N 427.553 1.850 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)COC)CC1 1748725255 XLFDMLMDOSHAFR-UHFFFAOYSA-N 427.553 1.675 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748790772 MCLTXEAGIRZLOX-MSOLQXFVSA-N 447.561 1.225 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1748868462 XMIRHSQJSWFOFU-HSZRJFAPSA-N 430.549 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C 1749724856 OBIZSKFOGNMDCU-HNNXBMFYSA-N 438.575 1.938 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C1CCC2(CC1)OCCO2 1749729979 VSAYDBFKLKEDDW-UHFFFAOYSA-N 435.550 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749731353 BXCJVQHSQCPMML-UHFFFAOYSA-N 447.565 1.190 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 1749734709 LCWUBQKCDCJKBY-UHFFFAOYSA-N 425.599 1.820 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1750846306 AORLWTOQCVPZPH-CVDCTZTESA-N 443.596 1.887 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CCC 1760199544 YXSJEENLPGCWAF-NRFANRHFSA-N 429.532 1.868 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1760312682 CEBWPKBORRMVMN-SJLPKXTDSA-N 430.553 1.504 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1760451840 VJMKEPWMYKMZKA-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1760549228 ZNFGZPLIMLJOGF-UHFFFAOYSA-N 425.599 1.551 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760685317 SNSFVEKQASDOEU-IBGZPJMESA-N 441.511 1.699 30 10 IDEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761316472 GZGOXPHVYPPNMP-UHFFFAOYSA-N 425.493 1.474 30 10 IDEE CCc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763041813 MDASNWDYNHMLOP-QQMHEVNUSA-N 443.552 1.356 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1769124891 FRLJCXCOEGMFOJ-KFKAGJAMSA-N 447.561 1.738 30 10 IDEE COC[C@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1769412488 YMGHCJTZXJPCLG-JKSUJKDBSA-N 433.534 1.946 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCc2nccn2C1 1771109222 IWSHZPLZNNKLFC-KRWDZBQOSA-N 426.525 1.340 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1771112117 GNXHPWKXVWRNIQ-HZPDHXFCSA-N 446.474 1.412 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1771263798 ZBKUUJFFCBXZEV-HLAWJBBLSA-N 441.532 1.846 30 10 IDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCN(C)C1=O 1848892279 GALGIPGFGARQHK-DOMZBBRYSA-N 433.452 1.618 30 10 IDEE O=C(c1ccc2c(c1)OCO2)N1CC(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)C1 1852495739 UVPUEFLFYKCKHP-UHFFFAOYSA-N 447.391 1.358 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)C(=O)C1 1853961198 SBCSTGRTEPUSFU-KRWDZBQOSA-N 425.466 1.169 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(Br)cs2)C1=O 1854174151 BPGHZCYAQJDNOF-QWHCGFSZSA-N 426.336 1.970 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCn1cncn1 1857024849 WFGDTQVVXWFIPL-INIZCTEOSA-N 429.502 1.513 30 10 IDEE COCCCN1C(=O)c2ccc(C(=O)NCC(=O)N[C@@H](C#N)c3ccc(C)cc3)cc2C1=O 1867504979 TYSIQTLWVREDEO-FQEVSTJZSA-N 448.479 1.738 30 10 IDEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870111023 TZPNOYJOUUFFMF-UHFFFAOYSA-N 445.395 1.649 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870396193 SUDPURKNQWDRQL-UHFFFAOYSA-N 438.528 1.394 30 10 IDEE C=CCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCN(C(=O)OCC)CC2)n1 1871477945 RFMLVVSLXKYLJR-UHFFFAOYSA-N 440.508 1.872 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCOC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871630932 ZXFAXBBNXWEESB-UHFFFAOYSA-N 437.504 1.312 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874275180 YNSWBJNCTKQVBQ-IAAMAZNWSA-N 444.517 1.550 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NC[C@@H]3CCCO3)ncnc21 1875228448 OXFVRYQKESAYCI-KRWDZBQOSA-N 448.531 1.961 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 1890076101 ORAFRCIUXDUIPC-UHFFFAOYSA-N 429.521 1.640 30 10 IDEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891307754 XNCXVUPEOLJDJB-LSDHHAIUSA-N 426.502 1.574 30 10 IDEE C#CCn1ncc(NCCN(CCOC)C(=O)OC(C)(C)C)c(Br)c1=O 2106046813 FNJYDBINEYYEDD-UHFFFAOYSA-N 429.315 1.934 30 10 IDEE C#CCn1ncc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2106094144 VWNNYALRRHFWQV-AAEUAGOBSA-N 427.299 1.279 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)=C[C@@H]1O 2131476112 LALUBWDTJNGURK-CABCVRRESA-N 446.313 1.299 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2214625224 ANIPHNIULCZAFJ-FRRDWIJNSA-N 425.345 1.384 30 10 IDEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2243411964 DCWURPQNKVGWAH-UHFFFAOYSA-N 444.384 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2248400835 BMEAASRLZWVJKB-LBPRGKRZSA-N 441.721 1.858 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2255611685 JHGZSKYQHPIYCQ-ZDUSSCGKSA-N 435.334 1.196 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2255647459 ZCRPFWPQSGUYBW-ZFWWWQNUSA-N 432.330 1.904 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1NC(=O)OC(C)(C)C 2255656003 UPPJYVHSIUDZMZ-UONOGXRCSA-N 434.346 1.705 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267197919 QFIHESWDJCGVOV-SFHVURJKSA-N 440.353 1.730 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267518560 CRYCLTJXUXLKSF-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2269707020 HWDGYKRKUOZJSA-CVEARBPZSA-N 447.341 1.711 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270511172 YPOYMANGLKEYIH-NVXWUHKLSA-N 428.507 1.307 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@](C#N)(C2CC2)C1)NC(=O)OCc1ccccc1 2286041085 MVRXRBCGXOVXHF-YLJYHZDGSA-N 435.502 1.410 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300333374 DQWVZFDQXYRIJI-CHWSQXEVSA-N 439.343 1.464 30 10 IDEE COc1cc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 2325709164 FRGJFHPRRJGTEL-UHFFFAOYSA-N 448.497 1.301 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)c1 20806528 MNHNEASKUQHJSV-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 43755399 UQABSHTZIKUSOC-OAHLLOKOSA-N 444.469 1.767 30 10 IDEE CCOc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443871 TZNJSRDWSZHFEX-HOTGVXAUSA-N 436.472 1.094 30 10 IDEE CCCCCCCCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@H]3N[C@@H]3CN21 104933017 GEMIIFLGMHAMLT-ORUILCKDSA-N 447.532 1.767 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3)nc2)CC1 116723151 VFDINFHXQDYIIB-UHFFFAOYSA-N 425.514 1.700 30 10 IDEE C=CCOc1cc(C(=O)NCCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc2sccc12 222476182 KHWZODTYCXRNFX-UHFFFAOYSA-N 439.497 1.712 30 10 IDEE CC[C@]1(C)NC(=O)N(N=Cc2ccc(OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c(OC)c2)C1=O 254594461 VBNUXALUIVGHBM-HLFMIMNKSA-N 446.504 1.764 30 10 IDEE COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)ccc1C#N 427231136 JOCNJHATNBWJMU-UHFFFAOYSA-N 431.518 1.624 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccnn2C)c(=O)n1C1CC1 430969134 BVFWLJRIFDRUNQ-UHFFFAOYSA-N 433.537 1.674 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1c(C#N)cnn1-c1ccccc1 441194218 FBEROAHKELCRCE-RWQQGDIJSA-N 437.456 1.107 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 467291640 OKBQVBGWOXXDRD-UFGBVDADSA-N 428.508 1.808 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccccc1C 479365420 OCXPSLGGLCGZLG-UHFFFAOYSA-N 434.521 1.640 30 10 IDEE COc1cccc([C@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCO2)c1 484821854 OFHMAFOQBMHMGO-FOIQADDNSA-N 429.498 1.834 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(c2cccnn2)CC1 508860332 ZEHGBHYHCZQBMW-UHFFFAOYSA-N 432.536 1.755 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CC(F)F)CC2CCC2)CC1 534907437 VFLWXORCGSHFHK-UHFFFAOYSA-N 440.516 1.758 30 10 IDEE COC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 538211309 SWVHOJHIZBLACU-HXUWFJFHSA-N 442.541 1.368 30 10 IDEE N#Cc1cccc(N2CCN(CCOCCN3CCN(c4cccc(C#N)n4)CC3)CC2)n1 544877375 MHLAPKTWAJSOFF-UHFFFAOYSA-N 446.559 1.181 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CCC1 554892938 MCZXLTKSXVFBBW-UHFFFAOYSA-N 441.560 1.021 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(C)CCC)C1 555285135 IATQQDHBQHEXAD-ROUUACIJSA-N 440.614 1.355 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1ccc(F)cc1 566542237 MPTWHAJXMFARBD-UHFFFAOYSA-N 445.479 1.473 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 568804239 LZOPOZUINYQOJG-HZPDHXFCSA-N 443.529 1.162 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OCCOCCCC)nc1C 586304585 PWDGICLUUBCFKY-GDLZYMKVSA-N 446.547 1.841 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1 726948946 TYVFCFSMKWXDJK-UHFFFAOYSA-N 431.436 1.271 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@H]2C)CC1 747736288 DGRQIRKCFYPJLF-GDBMZVCRSA-N 427.501 1.900 30 10 IDEE C#CCN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 769681314 AKKGNVLPZNZOOY-YLJYHZDGSA-N 429.542 1.500 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 774265065 HCXUJTMNMXJIHM-SFHVURJKSA-N 447.605 1.781 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1C 781398934 FOXJNSBQRSRILV-UHFFFAOYSA-N 427.482 1.988 30 10 IDEE COC(=O)C1=C(C(=O)c2ccncc2)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783810577 SMVHLWBXSCGHLE-NSHDSACASA-N 436.291 1.406 30 10 IDEE C#CCN(C(=O)c1nc(Br)ccc1Br)[C@@H]1CCS(=O)(=O)C1 790480471 LNLIYEHUWGTOBT-SECBINFHSA-N 436.125 1.869 30 10 IDEE C[C@H](CC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 802246519 XYNCELWCKBQXQJ-VCBZYWHSSA-N 435.546 1.188 30 10 IDEE C#CCNC(=O)[C@H](C)OC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 811365021 OTONTWMEWUCBLO-FDVLLZDMSA-N 432.476 1.147 30 10 IDEE Cn1cc(CC(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)n1 815912085 YUVAOSXJHQNJCK-MRXNPFEDSA-N 430.852 1.582 30 10 IDEE CCOc1ccccc1N1C[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1=O 916179165 PEZRKBXBOKSXRX-QGZVFWFLSA-N 427.482 1.956 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc(Br)n2)C1=O 1130399735 GOWBDWDHVNTWCF-UHFFFAOYSA-N 435.156 1.778 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1134277364 AHPKCCQODAIQSO-XVAXZDLZSA-N 429.517 1.796 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1146247670 OIIPDQCCWCBVPR-HNNXBMFYSA-N 444.550 1.214 30 10 IDEE C=CCCn1cc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)nn1 1150176315 ONNNHQATOYGNLS-CYBMUJFWSA-N 442.257 1.629 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2ccncc2)c1 1150295103 NCFWZUXYMBNKMP-RBUKOAKNSA-N 430.482 1.274 30 10 IDEE CS(=O)(=O)c1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1154913209 JCCADBYTVGLJME-UHFFFAOYSA-N 449.330 1.872 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@]3(CO)CCCC[C@]3(CO)C2)CC1 1176767327 FWFJJQBMTOTPOS-YUXAGFNASA-N 432.590 1.304 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)s1 1177932425 HMWDOURGALDCDW-MRXNPFEDSA-N 440.518 1.795 30 10 IDEE CNC(=O)c1cccc(N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 1197978703 KKSLITQZVKCMJT-UHFFFAOYSA-N 448.483 1.951 30 10 IDEE CO[C@H]1COCC[C@@H]1CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1228753275 ISDANJRCKZIOEA-UZLBHIALSA-N 426.521 1.918 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1286306548 WHWSFJNYVCYXTQ-CABCVRRESA-N 426.477 1.312 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286314412 NZYOYZAAHITTNU-DOTOQJQBSA-N 449.581 1.842 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1286360306 FLYZSPHJCUGLOQ-LBPRGKRZSA-N 430.456 1.614 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)CN(C)C)CC1 1286474658 OOCHZNGYNVMRNQ-UHFFFAOYSA-N 448.579 1.264 30 10 IDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOCC1 1286496944 LNYDOPGBKKRMAQ-UHFFFAOYSA-N 434.591 1.750 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1286497040 ZDQHEHWOWUKHOB-AWEZNQCLSA-N 429.612 1.649 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1286547831 QIAYCCHIDDAVQM-BBWFWOEESA-N 439.582 1.486 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ncnc3ccsc23)CC1 1286792811 IVCCIXTXFNGKLG-UHFFFAOYSA-N 442.549 1.448 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1286793987 RJOIYLCWAKTVGS-LZLYRXPVSA-N 432.569 1.461 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286813720 AIFMEGCIANLEBQ-XSLAGTTESA-N 440.566 1.218 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@]1(C(=O)OC)CCOC1 1289877371 SLNSFLAUSIGANI-SFHVURJKSA-N 441.278 1.794 30 10 IDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)OC 1292184831 NXRVLYZUJPPTRA-QZTJIDSGSA-N 437.504 1.714 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1297981621 CRWWEUVGFCFOTM-UHFFFAOYSA-N 433.520 1.355 30 10 IDEE CN(CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1298706424 UQAFICXDACCKQP-LBPRGKRZSA-N 441.414 1.229 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1299071122 BTDGBQQFYKKBBP-UWJYYQICSA-N 426.546 1.647 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNC(C)=O)CC1 1300683526 PDIZXLQRQFBMKG-KRWDZBQOSA-N 428.512 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CN2CCCC2)CC1 1300710961 QTRIOEWACIMQGB-HKBOAZHASA-N 430.597 1.489 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1300767637 CJKXUGQQSOFWSU-KRWDZBQOSA-N 432.594 1.508 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1301002932 AUDGYDRCMPRLEX-INIZCTEOSA-N 447.565 1.063 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1301047664 MNCSRUPZDWDODD-CQSZACIVSA-N 430.987 1.904 30 10 IDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301221442 KESFNNFOTAVBIW-ROUUACIJSA-N 439.582 1.379 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1301258320 PYCDMOHPEIBCPU-GOSISDBHSA-N 449.581 1.281 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)C)CC1 1301497121 OZFVISRHAGUBMA-UHFFFAOYSA-N 434.548 1.963 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1301519983 AMFYXZPAOARGJJ-SQGPQFPESA-N 446.596 1.994 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)C1 1301565795 GNTDNZNJRZUHNR-QGZVFWFLSA-N 444.561 1.681 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(-c3cccnc3)n2CCOCCCO)CC1 1303000573 QEEDTFJVZJNFIQ-UHFFFAOYSA-N 433.516 1.937 30 10 IDEE C#CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303655408 CZIBHJKODCMCAV-VXPUYCOJSA-N 430.505 1.764 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCNC(=O)O2)CC1 1304230511 DJNWUYZRMDREHO-INIZCTEOSA-N 448.545 1.631 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 1306652497 SWLPOLWQSLUEKP-GOSISDBHSA-N 426.498 1.258 30 10 IDEE N#CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCCO)CC1 1316534597 IBZYSNXMAOEFBZ-UHFFFAOYSA-N 440.552 1.591 30 10 IDEE N#CCOc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1322809154 VLICSDSXEMOVJY-QRQLOZEOSA-N 433.530 1.315 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1358889593 DMFNEHBCJDVWDL-VQIMIIECSA-N 447.561 1.434 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358960244 ABFIWNXMFBSDLJ-KRWDZBQOSA-N 431.566 1.092 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1359010097 GPTWXCWJPURUIH-CABCVRRESA-N 431.509 1.506 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2([S@](C)=O)CC2)CC1 1359043212 LTXCXQXLQQULRT-PMERELPUSA-N 426.546 1.217 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359093069 JTAYXSOEXXPENW-MJGOQNOKSA-N 449.581 1.121 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)C1 1359321176 BNAWQAQYKOKMNF-RBUKOAKNSA-N 447.561 1.441 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359342883 GVCSWHRFNJATER-ROUUACIJSA-N 448.637 1.880 30 10 IDEE CC(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1359460199 GWZZIPSEUXRPAF-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(c3cnccn3)CC2)C1 1440913681 PSVSTZYSADXJRL-UHFFFAOYSA-N 427.306 1.896 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](C#N)CO 1449520592 NYGMDVNMBVNTTG-ZYHUDNBSSA-N 426.347 1.394 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c(=O)nc1O 1453825971 DXJWFQNVBLSWHO-UHFFFAOYSA-N 425.832 1.114 30 10 IDEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1456673264 KVVKYUOQXHPPQY-FQEVSTJZSA-N 428.466 1.608 30 10 IDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCO1 1460458523 RJZCUWGHSFTOCN-GOSISDBHSA-N 442.495 1.673 30 10 IDEE CN(C)CC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1 1462931582 OBUZKIJRKZKUJN-WOJBJXKFSA-N 434.500 1.967 30 10 IDEE Cn1cc([C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c2ncon2)cn1 1468479220 PKDHHHLIAGGNSF-INIZCTEOSA-N 442.277 1.779 30 10 IDEE C[C@H](CC(=O)NCCc1cnc2c(Cl)cnn2c1)/N=C1/NS(=O)(=O)c2ccccc21 1468533396 DBKSCCUIWVOCDK-GFCCVEGCSA-N 446.920 1.559 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1470353010 LXKYRWZDBFIUNB-UHFFFAOYSA-N 443.573 1.596 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)c1C#N 1471192283 XANBRAXOYMZNAA-UHFFFAOYSA-N 436.564 1.384 30 10 IDEE COC(=O)N(C)CCN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1473656640 QUNUEDBNEGXTOD-INIZCTEOSA-N 431.537 1.986 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@H]2C(=O)NCC23CCOCC3)n(Cc2ccco2)c1C 1473831872 RFNKUQZPYBGEQF-IBGZPJMESA-N 425.489 1.441 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCC(F)F 1503104515 XEGQJMOHMQRCHS-UHFFFAOYSA-N 438.483 1.337 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cnnn2)CCO1 1505321246 LGTRAFSHMOJIDA-HNNXBMFYSA-N 444.297 1.513 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507569670 HQOMRNMNAYBHLJ-QFIPXVFZSA-N 441.536 1.019 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1507637599 LFBZADAEHYWXBT-SFHVURJKSA-N 432.546 1.693 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1507643660 XRFMSLXVVQRLEK-MRXNPFEDSA-N 439.545 1.319 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCNS(C)(=O)=O 1507699609 HFUQNYGJOJLKFK-UHFFFAOYSA-N 443.508 1.453 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NCc2ccccc2)CC1 1507723990 CJAOPFZOGKSHJV-UHFFFAOYSA-N 443.555 1.726 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507750158 KOADRMOUBZPLNX-UHFFFAOYSA-N 433.545 1.638 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507912283 SVYBITYBUCFEMI-SFHVURJKSA-N 433.516 1.566 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)C(=O)C1 1508106796 ZCNBPOWVMHHHAI-UHFFFAOYSA-N 449.515 1.643 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(C)cccc2C1 1508131816 QLQBAFRSJDCRAN-UHFFFAOYSA-N 443.573 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCCCC1 1508137257 YEBWUBRXBISAGN-UHFFFAOYSA-N 442.549 1.902 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)N1CCOCC1 1510029810 DDCIDCDDUUIWQB-IRXDYDNUSA-N 446.577 1.407 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@@H]1CCOC1 1510152466 BWDZZFVYPJIDMH-HZPDHXFCSA-N 432.550 1.823 30 10 IDEE CC[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514083667 AOYLTJMXRHYOPU-QFPXGYFVSA-N 427.509 1.277 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1=O 1517419404 YLJDTTGJQXWJII-INIZCTEOSA-N 432.431 1.431 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1519515462 BYIAHQOROBLEJX-UHFFFAOYSA-N 445.545 1.657 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1526695538 YMEWRTVAQJTVKF-NSHDSACASA-N 426.969 1.272 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)CC)c1 1539039241 ZYZQPWWRDZKXEM-JOCHJYFZSA-N 426.521 1.634 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(Br)cn2)CC1 1539446815 JSNBVJMGPFNBDX-MRXNPFEDSA-N 448.369 1.587 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1539459612 LTALJEQIVKKIBA-KNQAVFIVSA-N 428.581 1.607 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1539650791 VOADJCWSIIOFIR-CQSZACIVSA-N 433.600 1.116 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)CC1 1539874450 MUSPPGIKVQWWOY-LBPRGKRZSA-N 425.584 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1540870240 IAUUJXGCLPSRBH-DLBZAZTESA-N 432.569 1.605 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540903131 ZACZTKJTBDHYPX-JKSUJKDBSA-N 446.595 1.134 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1541103717 FPXMHZOOTADMHZ-INIZCTEOSA-N 444.561 1.756 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1541104745 BAQNJTHOPMBOTA-CABCVRRESA-N 448.549 1.578 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1541284726 NMJSPOBYRZHQJN-JOCHJYFZSA-N 437.504 1.620 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1542971910 QAGFDIACTACMPI-QGZVFWFLSA-N 431.599 1.861 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCOC2)C1 1548334710 JCDXZTJXMSCEFS-OAQYLSRUSA-N 444.561 1.763 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)c1 1554500116 SBAMHPLJIZUXOZ-WBVHZDCISA-N 432.550 1.724 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC2(C#N)CCC2)c1 1557066287 NQMWQLDXVGMZPO-UHFFFAOYSA-N 430.324 1.797 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)CC1 1558075193 PFWQUIUKNQJQFB-INIZCTEOSA-N 429.420 1.005 30 10 IDEE Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)C2=O 1559032681 DZRAGDJKRYWFLM-CQSZACIVSA-N 435.436 1.884 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccccn1 1588124757 PZIBYLYPGLHSOY-UHFFFAOYSA-N 433.541 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1588229125 RDRASAJRDXTVSR-HXUWFJFHSA-N 426.542 1.838 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1588399326 OJKRIOJJYRIDSY-QGWGWZPUSA-N 448.483 1.777 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN(C)CC(F)(F)F)CC1 1588732438 AESDFNWKQWYBOH-UHFFFAOYSA-N 443.518 1.446 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCC(=O)N(C)C)CC1 1588800525 JKOVGDLGFZJWSN-UHFFFAOYSA-N 446.559 1.754 30 10 IDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)NCC(F)(F)F)CC1 1588806272 LIUXGPQQQFVGSR-UHFFFAOYSA-N 445.449 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc([C@@H](C)OC)n2)CC1 1588806310 MNTQYCDRPNRCQY-GDBMZVCRSA-N 429.550 1.197 30 10 IDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593747038 QCTOPUQDLDUFJQ-INIZCTEOSA-N 430.557 1.991 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1594626293 MBMJAFBPQZFOLA-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1594720603 QJSGCCLNPMAFFO-UHFFFAOYSA-N 429.525 1.182 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1594783822 JQAMVIRWUZHFSX-HOTGVXAUSA-N 429.587 1.732 30 10 IDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1594824967 SZXWITNXJADFJA-GOSISDBHSA-N 438.488 1.962 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1594855340 BERBVJWSIBFPNK-KBPBESRZSA-N 430.575 1.671 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595569134 ANSPOTQHASIJNF-MSOLQXFVSA-N 441.488 1.488 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)C2)c(=O)nc1O 1607490545 YBNWEDPWNNRVEL-UHFFFAOYSA-N 431.334 1.117 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1620354648 BJFWSUUKPXQROC-MOPGFXCFSA-N 445.545 1.516 30 10 IDEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC1CCN(C)CC1 1620482920 XHEZBRDOTHOHSH-QHCPKHFHSA-N 445.583 1.825 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](N4CCOCC4)C3)C2=O)cc1 1624433835 KWHZFYOLFRHSQA-RTBURBONSA-N 425.489 1.086 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1 1625107765 HASLBWYEMIKYOL-HIFRSBDPSA-N 432.468 1.616 30 10 IDEE C[C@H](CC(=O)N(C)C1CCN(CC(F)(F)F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1626469977 QDBRXZZSDUGQKR-CYBMUJFWSA-N 446.495 1.989 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)c2ncc(C=O)n2c1 1627068140 SSMHAXCLHNYAPF-UHFFFAOYSA-N 434.294 1.597 30 10 IDEE N#C[C@]12CN(C(=O)c3cnc(Br)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1627137383 XMJCTJBBUBLPIO-TVQRCGJNSA-N 449.124 1.617 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(C#N)CCCC3)CS(=O)(=O)[C@H]2C1 1628342099 SRRUJFASCGJFFQ-OAGGEKHMSA-N 425.551 1.857 30 10 IDEE O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NCCN/C(O)=C1\N=CC=CC1=O 1628386267 SBXHDJNEJBDFAC-FRTIYWTKSA-N 433.262 1.518 30 10 IDEE C#CCN(CC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OC(C)(C)C 1629143119 PNLZYKNLPKBEPX-HZPDHXFCSA-N 433.509 1.328 30 10 IDEE COC(=O)CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1CCOCC1 1630114626 RJMDADYGLUCLMN-BXFSZVDSSA-N 435.521 1.954 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1630763816 LEVKBYFSKXYMLL-MRXNPFEDSA-N 432.525 1.396 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)s1 1634327170 FSXCOXIOYADBDS-HUUCEWRRSA-N 434.605 1.569 30 10 IDEE C#CCN(CC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1)C(=O)OC(C)(C)C 1637081432 VMHFOXOKRUKZDI-CXAGYDPISA-N 438.468 1.825 30 10 IDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1639493158 LBFILYFMSSSKRO-ZETCQYMHSA-N 443.291 1.844 30 10 IDEE CCN(CCC#N)C(=O)Cn1cnc2c(I)cc(F)cc2c1=O 1641217946 REMLDUADPJQODP-UHFFFAOYSA-N 428.205 1.902 30 10 IDEE C=CCC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1641605158 MBMIVOKCLFJEBH-UHFFFAOYSA-N 443.591 1.453 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)c1 1642353133 LNPYDYRSJVSPQE-UHFFFAOYSA-N 434.539 1.712 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 1643372700 XQFOZKBZXARINN-CABCVRRESA-N 431.436 1.301 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 1643797709 JJGMEWNDIIICKH-UHFFFAOYSA-N 426.498 1.991 30 10 IDEE Cc1ccc(C(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)cc1S(=O)(=O)NCC#N 1645172602 QWNGBDHHANHQJR-SFHVURJKSA-N 435.546 1.893 30 10 IDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1645502788 HXAUSWJHDSLEED-AOMKIAJQSA-N 431.489 1.785 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCc1nc(C#N)cs1 1647979576 FPFWILMWMGKZFA-IACUBPJLSA-N 440.547 1.301 30 10 IDEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)CC(=O)OC(C)(C)C 1654153182 WERQKPHIEKSNAX-UHFFFAOYSA-N 439.534 1.161 30 10 IDEE COC[C@@]1(C(=O)OC)CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1655061780 XUGBGCGCZJCLLL-DENIHFKCSA-N 432.496 1.189 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2nn(C)c(C)c2CNC(=O)OC(C)(C)C)CC1 1671353737 URHSSXCWNQNLST-UHFFFAOYSA-N 432.525 1.747 30 10 IDEE CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C)C)cc1 1683064943 SNLKUEQORLUYSI-HFSMHLIXSA-N 434.562 1.656 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 1683542871 HUDISUHPCPSNRM-MRXNPFEDSA-N 444.536 1.707 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 1685843974 FGCIVCIXRCGYKL-HNNXBMFYSA-N 433.368 1.809 30 10 IDEE CCOC1CC(CNC(=O)N2CCN(c3ccsc3C#N)CC2)(N2CCOCC2)C1 1686321663 IFGJWWGZAWKXOV-UHFFFAOYSA-N 433.578 1.721 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)NC(C)C 1689841802 OENAZSHJTWEIMS-OAHLLOKOSA-N 435.550 1.748 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1689930541 UHAYSFVLOUQJMQ-MOPGFXCFSA-N 435.594 1.142 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1689990640 QTYSQINRWFICFS-SJORKVTESA-N 447.561 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)CC)CC1 1690141816 CJJLUAFSRUOLFL-UHFFFAOYSA-N 447.536 1.485 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1690175370 VMNZCKXIISCAOX-IRXDYDNUSA-N 441.623 1.604 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1690251354 TXKWILXIJVUXEG-DNVCBOLYSA-N 444.561 1.529 30 10 IDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690467271 RFHMBTOWEOKKCH-SFHVURJKSA-N 435.598 1.966 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 1690653437 QSLKCRJMJSWCAQ-XXBNENTESA-N 446.596 1.639 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(C(=O)OC)CC2)C1 1690693372 AIJJHNVNXUXBLD-GOSISDBHSA-N 429.525 1.938 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705560348 FZSNKQNSULNOMQ-APWZRJJASA-N 427.530 1.726 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1705565001 DZGOSWWQMLDZCY-IRXDYDNUSA-N 449.577 1.063 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1705566789 RDWJKHCWMREDNL-KRWDZBQOSA-N 443.577 1.236 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1705568214 JIRPXNXSYODGBX-QGZVFWFLSA-N 448.545 1.507 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1705624455 BQTDECDIESEYRS-ZHRRBRCNSA-N 430.505 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(CS(C)(=O)=O)CC2)CC1 1705647534 GGXFQRLCGZOGLA-UHFFFAOYSA-N 435.594 1.267 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCn2ccnc2C)CC1 1705648948 FDVWWOCZYSORAP-UHFFFAOYSA-N 434.548 1.845 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)N(C)C)CC1 1705649678 CRFMSECUVHVYIA-LJQANCHMSA-N 438.576 1.816 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705830149 KDICVGPHODCKHF-LJQANCHMSA-N 432.569 1.119 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705909292 SIPATHIQJMSPSL-WSTZPKSXSA-N 446.596 1.757 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@@H]1CC 1705936108 KBWWEOKFOKQFPV-OAGGEKHMSA-N 430.596 1.406 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1708866253 SBTQFNYOBKJXIO-NVSKLWTOSA-N 430.509 1.661 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1722276908 JOTPOVROUJEJLR-LLVKDONJSA-N 429.344 1.433 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722306159 GXQBPLLTHHGDTC-IBGZPJMESA-N 437.548 1.887 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1722368492 QYOCEVLTXUWTII-IBGZPJMESA-N 443.573 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722447253 KGMZDXDOHSIUPP-UHFFFAOYSA-N 439.507 1.637 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1722460038 BMZXOLYERLDZTI-KRWDZBQOSA-N 434.543 1.392 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1722478308 TUQVXPVRXMDNMZ-UHFFFAOYSA-N 435.330 1.442 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1722483484 HFEMJPLUSXVYTA-CYBMUJFWSA-N 425.331 1.620 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722693684 XKTJOKIVTHWFMA-FUHWJXTLSA-N 440.548 1.937 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1722698248 XHXWTIQBRMGLKY-CQSZACIVSA-N 430.538 1.136 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722726703 DWTJAWYAGZBBDM-INIZCTEOSA-N 434.566 1.567 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(CCC#N)CC1CC1 1729742178 CPLUIUZPBKZJMF-GOSISDBHSA-N 446.533 1.470 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1731016126 WEQFQTWGRYIBNJ-CABCVRRESA-N 434.522 1.061 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC(OC)CC1 1740644689 PODOETRMYRXPAF-UHFFFAOYSA-N 440.592 1.866 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCOC[C@@H]2C)CC1 1740696974 NCGKGNSSGVVAIL-SFHVURJKSA-N 444.530 1.623 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1740759933 MVDZEAXLNNUVLK-LPHOPBHVSA-N 434.566 1.231 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740792920 NDMNKNFWYGADNR-GOSISDBHSA-N 425.537 1.846 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2(OCCOC)CCOCC2)CC1 1740828832 ZHOPKFGSAVFILN-UHFFFAOYSA-N 433.553 1.769 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740887693 LLJIOJOBSDHXKT-MSOLQXFVSA-N 439.582 1.078 30 10 IDEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(C)(=O)=O)C1CC1 1740911565 VTDJSTYKJKEMAE-UHFFFAOYSA-N 429.506 1.298 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1741089502 OCAWASRPAMDVEF-INIZCTEOSA-N 425.493 1.380 30 10 IDEE CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741118440 WAOFGVLGZCIVSL-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1746972748 FUUSKJDTTNTORC-QQMHEVNUSA-N 439.520 1.815 30 10 IDEE CN(CCC(F)F)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1747889006 KZVDLHACZJAEQW-VHEBQXMUSA-N 431.447 1.882 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1748790853 NRJTXIAQJUXFQC-IRXDYDNUSA-N 432.546 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1748892968 YZPFUYFAZKOBKW-SFHVURJKSA-N 440.529 1.045 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCCC2(C)C)CC1 1749009654 UUUNYPNWHPHELP-QHCPKHFHSA-N 439.564 1.586 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1749268717 GEZGOEHRJXDNOS-HNNXBMFYSA-N 443.961 1.124 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1)OC 1749327608 IAWDIHAKVALUQP-TZIWHRDSSA-N 440.548 1.637 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 1749680798 RNKLDSQNARZYFO-UHFFFAOYSA-N 444.492 1.056 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1749687229 OMDONAZOFWUVKR-JOCHJYFZSA-N 426.521 1.731 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nccn1C(F)F 1751218750 GFNCHNBJRVSXGL-SJCJKPOMSA-N 442.496 1.658 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760138349 WTZCZPSEZVDPGC-RBUKOAKNSA-N 447.605 1.726 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C#N)C1 1760146563 POVRGADKHMLAMY-MRXNPFEDSA-N 427.534 1.689 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760182214 CFCGCBHIWMJSRB-HRAATJIYSA-N 444.513 1.974 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1760193244 XCLMOOXKGYRDKA-UONOGXRCSA-N 429.340 1.665 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C)CC1 1760256239 SSZQYUOTSQJGOE-KRWDZBQOSA-N 430.578 1.054 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1760270666 VICIEVDKZWORIJ-UHFFFAOYSA-N 447.547 1.466 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1)C1CC1 1760476725 FAZZGZSEGCNVLY-SFHVURJKSA-N 432.550 1.404 30 10 IDEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)O 1760500452 KUICNSIPOCHHMJ-UHFFFAOYSA-N 436.582 1.956 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760523698 GDXWLHBUXWHZLJ-OTWHNJEPSA-N 432.569 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760551564 KJRHUKFMDKQSGN-QGZVFWFLSA-N 430.534 1.624 30 10 IDEE CC(C)(C)Cc1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760745581 AUGUQRFDSHWNDS-SDCCCIRJSA-N 441.536 1.108 30 10 IDEE CC(C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1760819329 BBOSREUFBZNJIL-LJQANCHMSA-N 437.548 1.584 30 10 IDEE CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CCN1CCOC 1765302455 ZSOWAMMMLHKCPF-KRWDZBQOSA-N 441.536 1.460 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)CC)CCN2C1=O 1766926375 BKRFWSHFQGRHCI-VGOFRKELSA-N 437.504 1.450 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CC#N 1768280800 HZQLKQSUWYHCBR-CQSZACIVSA-N 434.522 1.742 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1769547801 BTZUYFPHEJJLFV-YDHSSHFGSA-N 438.532 1.852 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCC1 1769844704 CAJHBENBDBOWMJ-OAHLLOKOSA-N 427.596 1.832 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1770726830 AIQHWAOKURDJHP-IERDGZPVSA-N 425.468 1.030 30 10 IDEE COc1cccc2c1OC[C@H](C(=O)Nc1nc(N3CCN(C)CC3)c(C#N)cc1C#N)C2 1851947674 OVZQLJSOLDNCJP-GOSISDBHSA-N 432.484 1.775 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2=O)CC1=O 1853822289 KYPPHGBONPARFI-CQSZACIVSA-N 439.921 1.042 30 10 IDEE C/C(=C\C(=O)NCC(=O)Nc1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1868149799 KISTUOBCOHRMGM-RVDMUPIBSA-N 426.498 1.967 30 10 IDEE N#Cc1ccc(COc2cn(CCO)c(CN3CCC4(CC3)OCCO4)cc2=O)cc1 1870350468 HQKZCHZGUGGKQG-UHFFFAOYSA-N 425.485 1.630 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN(CC)CCO 1870434169 BEXCPOUCOASRRC-UHFFFAOYSA-N 429.473 1.595 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN(CCO)CCO 1870653454 IZFPESGTSBSEEH-UHFFFAOYSA-N 449.935 1.170 30 10 IDEE C=CCN([C@H](CCSC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 1872275993 VIPSEIHBFVNOHO-LJQANCHMSA-N 440.635 1.946 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873561274 IOBVBFPZCMCIAS-UHFFFAOYSA-N 447.547 1.122 30 10 IDEE COc1cc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc(OC)c1 1890228900 HOPARTBZYBQHCH-UHFFFAOYSA-N 429.561 1.505 30 10 IDEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N(C)C1CN(c2nccnc2C#N)C1 1891394392 QCXSSEKBSSHAGA-UHFFFAOYSA-N 435.419 1.003 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1891836293 XMGMOLKRDXMWPK-MRXNPFEDSA-N 433.534 1.170 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)cc1 1891970906 WOKOZYACGMSREM-SFHVURJKSA-N 428.514 1.858 30 10 IDEE CC1(C)OB([C@@H]2[C@@H]3CN(S(=O)(=O)CCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1959797228 KIXAPHHWSPDVAL-BJWYYQGGSA-N 446.334 1.636 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2010029749 UTBZRGLJRFFPSG-HUUCEWRRSA-N 439.509 1.826 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060635907 QONIWIHZRLWEOL-KBPBESRZSA-N 434.302 1.085 30 10 IDEE C#CCn1ncc(N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]3CCO[C@H]32)c(Br)c1=O 2162348595 MCAVQELBQHSDKI-JUDXGUMMSA-N 439.310 1.732 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1sccc1C#CCN 2164486105 DTRVWPUCXNRIFH-FQEVSTJZSA-N 449.529 1.502 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835645 ODTMRVBKXHXUGN-STQMWFEESA-N 439.343 1.464 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247906735 PMZYWVSVMXMGEU-UHFFFAOYSA-N 441.359 1.402 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247907965 LJPZUCKMUVCNOP-QWHCGFSZSA-N 439.343 1.464 30 10 IDEE Cc1cc(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2248402056 RMBYWFQMVDBDCH-AWEZNQCLSA-N 440.371 1.858 30 10 IDEE C=C(CN(C)C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248433381 JWRGWQRKIBNJDK-CQSZACIVSA-N 425.335 1.791 30 10 IDEE COC(=O)C1(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CN(C(=O)OC(C)(C)C)C1 2255350094 SBVMKULVDJGHBR-UHFFFAOYSA-N 434.298 1.922 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2255626545 HHFQDWMXZHTSQM-BTTYYORXSA-N 432.330 1.552 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2255647554 ADVPDCAPXCMPMW-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCOC2)n1 2255799400 HYHHSSCMNQVWTB-KRWDZBQOSA-N 447.366 1.699 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H](F)C1 2255827764 MOMYYZUDVJPDQV-KBPBESRZSA-N 438.309 1.786 30 10 IDEE Cc1c(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995547 BJYHJFWTIZRZSG-UHFFFAOYSA-N 436.365 1.986 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266998232 GAANNARXNIMLGT-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267196687 SJGTWGCDBVPWKS-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE Cn1ncc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1B1OC(C)(C)C(C)(C)O1 2267513741 QNTLAZDXOMTMGL-SFHVURJKSA-N 435.337 1.569 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267514300 XHFBSWZYXWDWPL-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)CC2)n1 2267536559 KJGAAVNIEQERPZ-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334262591 BOAJGLAPOKCMMO-BMFZPTHFSA-N 446.357 1.940 30 10 IDEE CCOc1ccccc1[C@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@@H]1C#N 72443720 WBCGJYHYNIFXNH-GDBMZVCRSA-N 436.472 1.094 30 10 IDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 105421615 LPBXSGATDKDXGX-MRXNPFEDSA-N 429.590 1.993 30 10 IDEE COc1ccc(/C=N/NC(=S)NCCN2CCOCC2)c(Br)c1OC 169884384 GZVVYJHPDIREHP-YBFXNURJSA-N 431.356 1.597 30 10 IDEE C=CCOC(=O)[C-](C[C@](C[C@H](C(C)=O)C(=O)OCC=C)(C(C)=O)C(=O)OCC=C)C(C)=O 253611688 UJCPSIHNPIHJQL-WZONZLPQSA-N 449.476 1.898 30 10 IDEE CC(=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1cccc([N+](=O)[O-])c1 254631402 KNPKRMUOWKRSIW-UHFFFAOYSA-N 428.453 1.289 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(N3CCCCC3)CCN(C)CC2)c1 461285688 UKFYEZPBSNAEAS-UHFFFAOYSA-N 434.606 1.831 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@]4(CCOC4)C3)nnc12 470563442 BRZWDMCOTPUSKM-NRFANRHFSA-N 441.513 1.340 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 477316558 UQTAVRSYQYOTSH-GOSISDBHSA-N 443.544 1.812 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 478747933 QXRAIPDECGJUNA-UHFFFAOYSA-N 429.542 1.343 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481979077 GMNBCNWXSIZPEF-OAHLLOKOSA-N 440.550 1.147 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 487477803 NSFUPZWODCEFMR-HUUCEWRRSA-N 439.497 1.140 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1C#N 489090156 UBUCVAXPJXYHOE-GOSISDBHSA-N 433.921 1.448 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 508825369 KHVRMZJBYCGZGK-SFHVURJKSA-N 447.561 1.680 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1 538331131 ALQBCYJQDCKPGN-UHFFFAOYSA-N 430.477 1.479 30 10 IDEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc2O1 544842181 AUVXRVKJHAFQPR-IBGZPJMESA-N 442.497 1.331 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CCC1 564758338 JFPDYJZHYOWCCA-UHFFFAOYSA-N 437.465 1.434 30 10 IDEE COc1ccccc1CN(CCO)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587646826 CPLRSNSVIYXMBJ-UHFFFAOYSA-N 437.500 1.068 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 590972675 ZAXORLQQEYEKMT-UHFFFAOYSA-N 434.496 1.995 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1C[C@H]1CCCO1 604502261 DLTAEWIRCMNIMR-CQSZACIVSA-N 445.566 1.068 30 10 IDEE Cc1nc(=NC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2ccc(C#N)cc2)[nH]1 610615336 GJQHWPZCAWSYIG-CQSZACIVSA-N 438.513 1.862 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669816566 BBOUHIPVFFXDHU-UHFFFAOYSA-N 435.492 1.545 30 10 IDEE COCCN1CCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 732462441 AUOIBCSQRHPRHC-BUVGWWEQSA-N 437.566 1.732 30 10 IDEE CCOc1ccccc1C(=O)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465485 GBSSHAFPIDNQCD-VXPUYCOJSA-N 441.488 1.079 30 10 IDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 741449107 KDOMYPCFQOVLIB-GOSISDBHSA-N 430.530 1.828 30 10 IDEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CN(C(=O)OC(C)(C)C)C1 747964600 ULUGTOQCBPWIJY-AWEZNQCLSA-N 436.534 1.693 30 10 IDEE C#CCN(C(=O)[C@H]1CC(Br)=NN1c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 756096294 FOGMXRBDZGZMQE-JKSUJKDBSA-N 438.347 1.931 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cc1 756113847 LOBQAFIHZDBACW-HBWVRPOVSA-N 449.577 1.828 30 10 IDEE CN1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 765310644 LSALRMICELVQOI-PXNSSMCTSA-N 448.495 1.955 30 10 IDEE C[C@H](CC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 773831875 JMZYQQMFXKQIMO-BMIGLBTASA-N 429.424 1.657 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 778641219 UMHSHAWPOAPMIL-FQEVSTJZSA-N 437.500 1.933 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Br)nn2C)c1=O 782585418 CFYXABSXNBUPDZ-UHFFFAOYSA-N 449.374 1.934 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 783136499 KEUHGOXDCPMKHF-QGZVFWFLSA-N 437.481 1.984 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)n1 788556843 BUHAXRFRZGNZHX-UHFFFAOYSA-N 435.506 1.379 30 10 IDEE C#CCN1CCC(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1 791014313 DRBYQXVQAVVPGU-UHFFFAOYSA-N 428.537 1.817 30 10 IDEE C[C@@H](C#N)Oc1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 792741581 YWEXRVYHCWUGND-AZUAARDMSA-N 436.560 1.914 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(Cl)cc1 794068342 CDRSETVYUUNHME-KSSFIOAISA-N 431.901 1.831 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 794762822 QFRHGVAKVILFLT-WDUKFBBWSA-N 449.529 1.234 30 10 IDEE CC(C)c1nn(C)cc1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 797393456 NQNOFISVRIOFLQ-JJIBRWJFSA-N 446.533 1.934 30 10 IDEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)Nc1cccc(I)c1 798748637 ZKFYQUSZXQCMIR-ZJUUUORDSA-N 439.213 1.886 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802613259 WAZBCTYINVWLII-KRWDZBQOSA-N 439.443 1.572 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 806348611 YIEGKLXMSDRAHC-INIZCTEOSA-N 431.493 1.448 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(C1)Oc1ccccc1O2 811552779 MVWMRRBTROQQKX-UHFFFAOYSA-N 427.482 1.905 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCN(C(=O)OCC)CC3)cc2C1=O 853262205 KXYDDNPNCMMGCV-AWEZNQCLSA-N 443.456 1.315 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 917356944 VRIXQIBLVDIGIF-LJQANCHMSA-N 431.521 1.918 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 919096564 CMZOJFNDJPGIGZ-RBUKOAKNSA-N 425.489 1.864 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 1131256704 FFKHZLBABKGNPE-RBUKOAKNSA-N 435.502 1.683 30 10 IDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)COC1 1138181467 UUWHGCUEDJWNGG-KRWDZBQOSA-N 428.489 1.854 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1149518254 DVLISOWWKWJYQN-QXKUPLGCSA-N 437.924 1.946 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)C1CCN(C)CC1 1178738948 CCBYXWYJOOSWHH-UHFFFAOYSA-N 427.954 1.434 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2(CC2)C1 1180970635 DEZFZJLEIVXBKV-INIZCTEOSA-N 448.545 1.631 30 10 IDEE CCOc1ccc(OCCNC(=O)Cn2cc(C#N)c(I)n2)cc1 1189592168 LQVRPTQQMUDTAZ-UHFFFAOYSA-N 440.241 1.953 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2O)c1 1193729811 JADXMGCDXYOHEE-KGLIPLIRSA-N 432.502 1.645 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2O[C@H](C)COC)CC1 1216709406 OJWKWUGIHLIMIN-CQSZACIVSA-N 444.941 1.371 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1230489797 WQBFSDGZIODPIM-IBGZPJMESA-N 441.509 1.848 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN1C(=O)OC(C)(C)C 1234106031 HYXWBKROKGZEBF-XTDOFWJNSA-N 426.539 1.354 30 10 IDEE O=C(NCC#CCO)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O 1235583462 OUCRGLHLKHHSCU-KAMYIIQDSA-N 425.413 1.619 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(C(=O)OCC)=NN2c2ccccc2)n1 1271204509 MHLDAJYFYKXFKO-OAQYLSRUSA-N 437.500 1.689 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286414281 UUEGCULSTDATDF-VQTJNVASSA-N 426.565 1.535 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@]2(N(C)C)CCSC2)CC1 1286492961 CHLOZBQGLBZUFF-JOCHJYFZSA-N 430.622 1.634 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286537063 VUFRTVASGYPJSK-ZDUSSCGKSA-N 434.298 1.655 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1286560301 COZVDFAXMDPTCV-WMZOPIPTSA-N 428.541 1.511 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286716513 NOEKPGDGKRGUKR-QZTJIDSGSA-N 439.582 1.727 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1287116589 VBOJLWBLAGZNLV-LJQANCHMSA-N 448.535 1.635 30 10 IDEE N#C[C@]12CN(C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)C[C@H]1CS(=O)(=O)C2 1289436947 RQTXFEDNUYUMFS-MEDUHNTESA-N 425.392 1.296 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3CC#N)CC2)c1 1290270469 BORQDZPYPWIKDO-UHFFFAOYSA-N 429.498 1.917 30 10 IDEE Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1290743986 UHZLYBLRPBIOTR-FTHOYRMOSA-N 426.477 1.892 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC(=O)N1C 1291217990 MAHNUQLWPRIZDD-OAHLLOKOSA-N 433.472 1.393 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1293783871 IXDQSCVHBKHEOL-INIZCTEOSA-N 434.497 1.268 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@H]1C 1295981025 QKUNCCBIQOBXRO-QLFBSQMISA-N 435.554 1.320 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1299108190 AGBQZUMPYLCUGS-UHFFFAOYSA-N 431.447 1.160 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1300300074 WRPXTUVYVBFSGN-INIZCTEOSA-N 427.534 1.528 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1300323331 YTZLINFUQJNFDE-MJGOQNOKSA-N 436.516 1.682 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300491987 KOMHPSFMYGZDNK-DOTOQJQBSA-N 447.948 1.558 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(=O)(=O)CC 1300522529 HFYPBWUHXLVBHS-UHFFFAOYSA-N 443.529 1.119 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)cc(OC)c2)CC1 1300700495 RGMJKXPRGOBTGJ-KRWDZBQOSA-N 447.536 1.131 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)C2CC2)CC1 1300729028 LQOQTQDTOVIOFG-UHFFFAOYSA-N 448.571 1.555 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1300769425 GWYBPMUZCLXFID-UHFFFAOYSA-N 431.543 1.330 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301237702 VXCJVKINAMLGQQ-JOCHJYFZSA-N 432.569 1.408 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1301239691 QYGPWRLMHXLCGC-UHFFFAOYSA-N 429.481 1.407 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1301500999 SEONPMZYXSRREZ-SFHVURJKSA-N 444.580 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301596736 XJKGDWQYTFDVFN-MGPQQGTHSA-N 438.472 1.886 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1304399282 XODDRLSIZDPCOB-WBVHZDCISA-N 425.493 1.892 30 10 IDEE C[C@@]12CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C[C@]1(C)CS(=O)(=O)C2 1308055800 HASKOSHZINVRGK-ILWGZMRPSA-N 448.564 1.291 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3ccccc3F)s2)CC1 1310693385 GFXOBLSGRLWABM-UHFFFAOYSA-N 437.522 1.490 30 10 IDEE C#CC[C@@H](CO)NC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1313281017 SZHGIIJJUGZDKX-FQEVSTJZSA-N 430.549 1.923 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1313476258 DTFMKEPSRQWUGY-UHFFFAOYSA-N 444.561 1.746 30 10 IDEE CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c1=O 1313848112 AYQLHLKRBDAEDV-OAHLLOKOSA-N 447.565 1.248 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOCC1 1314355322 NTBKWZREJRBKRJ-UHFFFAOYSA-N 427.509 1.072 30 10 IDEE CSCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1316462111 WWSFGWKKEKYTQM-LSDHHAIUSA-N 430.600 1.350 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358955140 FRBMXQJQHMNEFK-GOSISDBHSA-N 449.621 1.995 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2scnc2C)CC1 1359031118 QRULKTJOZFHZAC-OAQYLSRUSA-N 430.578 1.693 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN(CC)S(C)(=O)=O)CC1 1359169419 GSSTVZYTEMSGFD-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1359223034 YUBJOYPJLUQURJ-KRWDZBQOSA-N 441.598 1.878 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1359239980 CIGKCCNAOZHEPP-OLZOCXBDSA-N 441.476 1.201 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1359300103 UDRZELYNIPWDNH-IRXDYDNUSA-N 446.458 1.388 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1359306533 JSULTCAUTFIQML-QRWLVFNGSA-N 448.524 1.943 30 10 IDEE COC(=O)[C@@H]1CCCN(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O 1434982883 BUSPSALGWJSLBN-GOSISDBHSA-N 426.473 1.147 30 10 IDEE CCOC(=O)[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](O)c1ccncc1 1454448068 VTVLDQOMBHBXPA-PMACEKPBSA-N 445.516 1.813 30 10 IDEE CCOC(=O)[C@@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCOC1 1461895460 DXZVDTDJDLQTDW-VGOFRKELSA-N 442.472 1.239 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2N2CCOCC2)s1 1464695042 KWOVAPHSQQQPSV-UHFFFAOYSA-N 435.571 1.908 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1466064703 QUQJXPNXJRFSBT-KYHPRHEASA-N 426.521 1.888 30 10 IDEE COc1ccc(CNC(=O)NCc2c(I)cnn2C)cc1C#N 1471161576 CCUHCTQCBNGCPJ-UHFFFAOYSA-N 425.230 1.904 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H](CO)[C@H]3C)nnc12 1472577529 KSIUCHMVXITQPH-HUUCEWRRSA-N 427.530 1.942 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 1476228744 NJCONNZPMHDUPP-UHFFFAOYSA-N 431.489 1.733 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1503691567 BTBCDQFYRVAMNJ-JOCHJYFZSA-N 437.504 1.620 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C 1503889928 QZTFUVVWXRTBFH-PONJGIIJSA-N 440.504 1.634 30 10 IDEE COCC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1504541524 IWSLOOFUTMEGSR-UHFFFAOYSA-N 435.488 1.508 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1505031577 ZWMCIZNWDNDHRB-PERKRYKHSA-N 427.505 1.598 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCS(=O)(=O)CC2)C1 1505314545 GCWWHYJJNPACJW-GOSISDBHSA-N 437.472 1.466 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1507616667 LKVOHAWDXAJKKW-MRXNPFEDSA-N 425.461 1.007 30 10 IDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1507619802 AZOKLZBLFNQRAL-UHFFFAOYSA-N 430.559 1.682 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)CC1 1507731312 FOQQDTUWLNTRDS-MOPGFXCFSA-N 435.594 1.285 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1507732055 IDAACFHBQLISAG-UHFFFAOYSA-N 431.544 1.746 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507754400 XIPADWRFBRQKGB-GOSISDBHSA-N 445.570 1.718 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NC)CC1 1507754516 XRKHVSNRGRMHDC-UHFFFAOYSA-N 428.562 1.993 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507840406 MGXZQLTXDSDBQX-IBGZPJMESA-N 449.515 1.882 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1507980390 GNVSDZBEYMWJNQ-GOSISDBHSA-N 445.549 1.352 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1508085498 HXDBJNAHIZTOLG-OPAMFIHVSA-N 429.496 1.694 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)[C@H]1CC 1508090329 HBVMCYQQOBSASQ-QGZVFWFLSA-N 426.521 1.491 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1508094701 ZMYGEIIRDQGATA-LJQANCHMSA-N 427.553 1.814 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCc1cnn(C)n1 1509211749 CMFNIPXTRQBGNN-UHFFFAOYSA-N 434.552 1.831 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)COC2)CC1 1519243256 WBYVCQCGSNFOLS-UHFFFAOYSA-N 438.532 1.832 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3ccc(Br)cc3=O)C2=O)cc1 1538383203 CHUXOPUDWDIZGL-MRXNPFEDSA-N 429.274 1.794 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C)C1=O 1538983437 RWXODLGOYHLMLZ-YCRPNKLZSA-N 444.561 1.132 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCn2cc(C)cn2)c1 1539038929 WUMVZQLEKBGBSD-UHFFFAOYSA-N 448.531 1.678 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1539203466 QGOJWYGTGLDFMD-HNNXBMFYSA-N 427.596 1.185 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCn2cc(Br)cn2)CC1 1539447793 WBZONHAALBZUFC-OAHLLOKOSA-N 434.342 1.196 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(CCC)C2)CC1 1539484251 IYEXPTWOXLTCLB-NRFANRHFSA-N 449.603 1.962 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539743533 JPZGJRZWLDDYRM-KRWDZBQOSA-N 434.566 1.698 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)CC1 1539874446 MUSPPGIKVQWWOY-GFCCVEGCSA-N 425.584 1.693 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1539953780 VFLWYUSZXPLCRL-OAHLLOKOSA-N 439.586 1.239 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1540073926 UUVYTODUMBGBGO-AWEZNQCLSA-N 426.568 1.355 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 1542894845 PDHSLJOWQJYVHB-UHFFFAOYSA-N 446.301 1.453 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1555558071 LABGKGRXZVDWTF-OAHLLOKOSA-N 438.941 1.643 30 10 IDEE COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1=O 1570028843 IBGTUYGQRXJBNB-HNNXBMFYSA-N 431.562 1.461 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)[C@@H](C)COC 1586112994 NHLXIHLZFLOZMT-HNNXBMFYSA-N 442.534 1.907 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1587497903 HRTJYYQWAFVXLU-AOMKIAJQSA-N 432.521 1.474 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588064349 GQSAOMIJJCBUGF-MSOLQXFVSA-N 432.571 1.902 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1588074178 KPAXWJZKLQZOQT-RBUKOAKNSA-N 443.573 1.956 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1588084099 MLUJQDHCYGIMLW-MAUKXSAKSA-N 433.509 1.488 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(OCC)c2)CC1 1588812496 RUCRYRZIBHIPMC-IBGZPJMESA-N 425.533 1.993 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)C(C)(C)C)CC1 1588885357 VXVMKUIYUCSZEG-UHFFFAOYSA-N 437.610 1.755 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)COC)CC1 1589036319 CIPCXPHYNOAMHH-UHFFFAOYSA-N 443.529 1.335 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1593865230 DEPKNHGLZLGSIA-GOSISDBHSA-N 437.957 1.692 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOC 1597051305 UHJAGUJWONOUPM-OALUTQOASA-N 431.533 1.783 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1617618781 BTKVHXPOMKZHJW-IBGZPJMESA-N 447.499 1.870 30 10 IDEE CN(Cc1ccccn1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1617950445 MVUZGYKZOHDZCE-DQRAZIAOSA-N 444.499 1.822 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1619912542 GDSHXQLZJACHKW-XMSQKQJNSA-N 440.504 1.635 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N(C)C 1620017827 VOOPVQNOYGQIIM-ZWKOTPCHSA-N 442.568 1.545 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1([S@](C)=O)CC1 1620020446 YEAZWWWBZFWLRE-UUJYQVMHSA-N 436.582 1.090 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1620081095 SHOYFAIHQWCMOR-HKUYNNGSSA-N 440.504 1.107 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)[C@@H](C#N)C1 1621714831 FLHGHDVOOIWCJB-ZDUSSCGKSA-N 426.470 1.075 30 10 IDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)n1 1624292446 AAVMIWQEWUERFF-UHFFFAOYSA-N 448.524 1.991 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1625161051 QPNIUCJUVWDVKD-KAMXEHQASA-N 449.451 1.465 30 10 IDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1627854138 VPFLCNLZETZALQ-CYBMUJFWSA-N 439.863 1.921 30 10 IDEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1629246422 UZAPCLSJFSDASW-GOSISDBHSA-N 426.448 1.283 30 10 IDEE C#CCCN1CCC(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1629898367 WRKUIWJMUDDINR-QGZVFWFLSA-N 427.567 1.015 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)C1 1634108859 RHFMFSPSTINEQD-KODHJQJWSA-N 426.539 1.212 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 1635092514 UHPIIIZAQJALPF-KRWDZBQOSA-N 447.540 1.597 30 10 IDEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OC 1638394782 HHABWVWLILCAGS-CQSZACIVSA-N 433.324 1.985 30 10 IDEE N#Cc1cn(CCC(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)c(=O)nc1O 1641424463 ZRVSETIEALEHKR-LJQANCHMSA-N 447.289 1.009 30 10 IDEE Cn1cnc(-c2nnc3n2CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C3)c1 1648927991 HNWLAAFKLPURQZ-UHFFFAOYSA-N 432.488 1.748 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCOC2(CCS(=O)(=O)CC2)C1 1655890481 HIHDTZDOWOMABR-KRWDZBQOSA-N 435.546 1.610 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3cccnc3Cl)C2=O)c1 1656384708 HRXMGXDAEQIRKC-HXUWFJFHSA-N 425.832 1.832 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 1660460137 VWMHMRLSKIZQKH-UHFFFAOYSA-N 449.316 1.347 30 10 IDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 1665080346 FHBCIQSUOSEROP-GXFFZTMASA-N 434.392 1.692 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ccccc2N2CCOCC2)c1 1670837425 DVSSPUJHKGCBHL-UHFFFAOYSA-N 429.542 1.960 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1681514577 AEUPEEXQVURNJE-GOSISDBHSA-N 437.504 1.960 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cc(CO)nn1 1689976227 BIXZHWMFCVMEDQ-KRWDZBQOSA-N 444.540 1.594 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1690033088 PVRLNHOGKFGTNI-GOSISDBHSA-N 448.593 1.144 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1690055623 YISPGMKOLUTLGK-OAQYLSRUSA-N 446.504 1.009 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1690464920 NFTVDNLATPOTBN-HOTGVXAUSA-N 436.538 1.806 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653644 ZSSFBITYXJTTKJ-HRAATJIYSA-N 431.541 1.945 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690669290 ADRALUJKFMECCW-AWEZNQCLSA-N 428.459 1.743 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)C1 1690686431 NYVBWACWFSLHND-GDBMZVCRSA-N 449.533 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690723398 QEXHJODDSCOVGG-QGZVFWFLSA-N 433.582 1.881 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1690883718 FNJDKDMVPIUACJ-ORAYPTAESA-N 449.512 1.337 30 10 IDEE CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690981264 LLPJPVUXBNFXQR-UHFFFAOYSA-N 437.529 1.992 30 10 IDEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1693754290 RPAJBJDSIUQEGU-OYFMKPPVSA-N 427.509 1.133 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1694738168 IVQZAUZAGVABEC-FQEVSTJZSA-N 438.580 1.791 30 10 IDEE CCc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1Cc1ccc(C#N)o1 1694756590 UNXCYNQXHYEMSM-UHFFFAOYSA-N 436.538 1.230 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1696655936 CHTHIQACTOIAEQ-SFHVURJKSA-N 426.521 1.973 30 10 IDEE COc1cccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1697504080 FIJFFFYMHZAEIL-VQTJNVASSA-N 436.520 1.719 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C[C@H]1OC 1698291519 CCSIFJHROHVGRK-KDURUIRLSA-N 427.505 1.884 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 1705529201 HLULSGCTMJJSNE-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCC(=O)NCc1ccccc1 1705600909 PRLBJIBHWAVLTD-UHFFFAOYSA-N 432.528 1.570 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(C(N)=O)CCOCC1 1705626809 JVQISYBJCCQTHR-UHFFFAOYSA-N 436.516 1.795 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1705635054 PSGAICSTEBTAFA-VJBMBRPKSA-N 433.597 1.871 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CSCCS2)CC1 1705647915 LESWQNWJSVKBMY-IRXDYDNUSA-N 435.619 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)CC(F)(F)F)CC1 1705653111 ZHVWWXIWHVUZGI-MRXNPFEDSA-N 442.486 1.590 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705668654 QULUJAAGLCKJCY-COPBIKPMSA-N 435.594 1.822 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1705830159 KGIBMVKEHLYGEB-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1705895158 WAJPEOLYNASDGW-QGZVFWFLSA-N 446.939 1.950 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1706074784 DRUVOQFWJBDYSO-MHORFTMASA-N 430.532 1.724 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1706745525 BUTLPGMCNUIACK-INIZCTEOSA-N 442.549 1.808 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(NC(N)=O)cc2)CCOC1 1710456959 IAIJRPUCBNAYSE-SFTDATJTSA-N 443.483 1.911 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1711445879 HLQUHWINGMYENP-UHFFFAOYSA-N 425.489 1.748 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)on2)c1 1722308722 DZMAHOAMBCBRQY-GOSISDBHSA-N 433.472 1.630 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1722380645 SYBICFQGMAAVJP-GOSISDBHSA-N 448.527 1.970 30 10 IDEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1722409922 JUGZPDPSAYTOKX-UHFFFAOYSA-N 427.530 1.826 30 10 IDEE C=CCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722688962 CZNSGSZQZDHWCD-NHCUHLMSSA-N 432.525 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(CC(=O)NC)CC1 1722696429 MZZVSAYBPKYACM-UHFFFAOYSA-N 426.521 1.608 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](COC)C1 1722702343 NIRPYZVRVAVWKT-IBGZPJMESA-N 429.521 1.628 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722706594 UNOUQTWMVSOYMF-OPAMFIHVSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722725008 BYXKUOUILWYPMF-GJZGRUSLSA-N 443.595 1.142 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1722866606 BYOIBSAAWLURJQ-RDTXWAMCSA-N 436.476 1.540 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)CC1 1729167193 AKVRLQKMUHFVNF-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE COC[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730456332 GJOVVYRQIIWAFB-KRWDZBQOSA-N 438.536 1.276 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)OC 1730464228 NFSHYPUSCMJOLD-DYESRHJHSA-N 426.477 1.509 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740616995 KAKDVNOJMCBISZ-NTLWEQJWSA-N 436.578 1.601 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1CCN(CCN(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740622281 BLKLNJZZNVUUGS-FQEVSTJZSA-N 448.637 1.056 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC1CCCCC1 1740629430 NCXNOPTXMHAGTG-UHFFFAOYSA-N 433.516 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1740704309 NKPOAZRSTVWQEK-UHFFFAOYSA-N 442.527 1.759 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCSC2)CC1 1740706369 SQKBYWOIYTVSER-DOTOQJQBSA-N 430.578 1.338 30 10 IDEE C=C(Br)Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1740748549 HSIXQCQFUJQLTE-KDOFPFPSSA-N 442.358 1.894 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1740891048 PJMRFDSAAZIEBZ-AWEZNQCLSA-N 442.586 1.910 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740989570 RHAPRIATQPYAEJ-CSODHUTKSA-N 447.561 1.714 30 10 IDEE Cc1ccc(S(=O)(=O)NCCn2c(CC3CC3)nnc2N2CCO[C@@H](C#N)C2)s1 1742290919 DBHGMVQBGOZIES-HNNXBMFYSA-N 436.563 1.308 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](F)COC)c2ccccc2c1=O 1746472934 LNRODTZAAHFQAJ-HUUCEWRRSA-N 441.467 1.388 30 10 IDEE CCOC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1746607427 BHGZWVGZNGECQZ-SFHVURJKSA-N 440.552 1.996 30 10 IDEE CN(C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1747659852 RBSSGALUGUYJFV-HNNXBMFYSA-N 448.549 1.545 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)C1 1748132987 FLAMEJJFUXBWBF-HSZRJFAPSA-N 448.531 1.670 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1748814326 DEDLJGTVYRCESW-ZRGWGRIASA-N 437.591 1.142 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748815625 SFEZYQSUWNCBRC-IBGZPJMESA-N 441.557 1.489 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1748847155 OZCUANPIXDOZAO-OAHLLOKOSA-N 436.459 1.913 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1748863961 LWKBBQYDNLAIHV-ZWKOTPCHSA-N 434.610 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccco2)N(C)C)CC1 1749019171 NJRWMOOLPJXKOG-SFHVURJKSA-N 428.537 1.676 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749143929 OVTRIRNQNWDMSD-PMACEKPBSA-N 442.582 1.271 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749198278 BUGZSHIMILGOOW-OAHLLOKOSA-N 427.538 1.742 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1749348364 PMZOZXXUUAYEQB-QGZVFWFLSA-N 436.582 1.227 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1749573579 PORXAQVUCLQJHF-OAQYLSRUSA-N 443.577 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1 1749670137 RTIFSBYPTYBQSS-CQSZACIVSA-N 439.488 1.397 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749721470 KTYKQTRIUXFTGZ-GOSISDBHSA-N 449.625 1.838 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)CCO1 1750014381 KHGMLUGHXADVAJ-HXUWFJFHSA-N 426.521 1.973 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCOCC2CCOCC2)CCO1 1750388947 UNAGIVKIAVKILF-HXUWFJFHSA-N 426.521 1.826 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750568706 ABXUTHBMANYNLC-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1751036799 DOFNBTIMYIONJH-LJQANCHMSA-N 447.561 1.882 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)n1 1751623162 GCLCAPKUWKDZKW-SJLPKXTDSA-N 447.490 1.733 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 1760154606 GWJSNDZQKOAFLS-IBGZPJMESA-N 447.561 1.669 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1760181743 AWZQSMOLWLHVEB-LJQANCHMSA-N 443.573 1.654 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760264294 IDIUYSKWMANSQI-ZWKOTPCHSA-N 429.496 1.291 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)NC 1760297591 AVAAHBBKJLZVFU-HXUWFJFHSA-N 433.534 1.407 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCN(CC)CC2)CC1 1760389489 LMWXNFCWBGSBNT-IBGZPJMESA-N 436.626 1.364 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760529175 YNHPARRRVCLKJD-WTOYTKOKSA-N 449.552 1.005 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1761366268 WLPMYBSPMPAIBB-YUWJWYLASA-N 434.541 1.939 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccc(C#N)o1 1761502088 MNPSPYIZIBESTB-BBRMVZONSA-N 436.538 1.653 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1765469421 XBPHJXXVYVTMKS-XMSQKQJNSA-N 442.568 1.921 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1768293617 LEIWPTVIDAQCNW-DFNIBXOVSA-N 444.561 1.353 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1769322273 DJNYZSKMBBEUMO-AWEZNQCLSA-N 433.310 1.881 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@H]1C 1769495893 LVWROLQUHFCXBS-INIZCTEOSA-N 439.520 1.962 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1=O 1769880271 RYHCZIIRYZDFRV-KPFFTGBYSA-N 438.532 1.519 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCNC(=O)C2CCC2)c1 1771530701 RUAAXHZEOMQBDT-UHFFFAOYSA-N 435.532 1.825 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCCN2CCOCC2)cc1 1771532106 PJBHGEBRTGPVBT-UHFFFAOYSA-N 437.548 1.631 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C(=O)C2)C1 1853632167 FRTXLMDKLZIQQZ-IRXDYDNUSA-N 434.924 1.447 30 10 IDEE Cc1cccc(O[C@@H](C)C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857065905 BZNGQGMSUNQIDI-WMZOPIPTSA-N 433.530 1.703 30 10 IDEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)CC1=O 1857492277 LZXMBYXOCJXIJA-GFCCVEGCSA-N 445.328 1.341 30 10 IDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871531655 ILSLZUAKBLLPDH-UHFFFAOYSA-N 446.519 1.132 30 10 IDEE C=C(Br)CS(=O)(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 2006268785 XSRHLNZZNUFYRV-UHFFFAOYSA-N 426.377 1.757 30 10 IDEE C#CCN1CC[C@@H](NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 2024561495 MYLVPWUFWDBDGA-MOPGFXCFSA-N 429.517 1.837 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255613422 CDOOJYFOGWUJDI-KRWDZBQOSA-N 426.326 1.340 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)n1 2255635553 IDPZQTFOTRBVML-UHFFFAOYSA-N 434.346 1.941 30 10 IDEE CCN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2255646809 YIDXTIPNNFERGM-UHFFFAOYSA-N 432.330 1.857 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255651781 ZTSIVXSTLPHNSR-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)n1 2255655749 QMSIXHZBZHRTDQ-DZGCQCFKSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255696117 PJYNVIHMZKFXPN-UHFFFAOYSA-N 435.330 1.340 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255703191 PSTRCZYCHKWGOS-DGCLKSJQSA-N 429.248 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255832319 KHOOOZLXNYHSRC-LRTDBIEQSA-N 432.330 1.838 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2255840601 OXJCDNZINPSMEC-HXUWFJFHSA-N 435.334 1.244 30 10 IDEE C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255941938 LFYJGNWYXWQSQR-INIZCTEOSA-N 448.398 1.518 30 10 IDEE CC(C)(C)OC(=O)N1CC(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2256021403 ILOIQMBISXQGQA-UHFFFAOYSA-N 432.330 1.455 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256065677 ZPOQEOQPUQUOGD-NRFANRHFSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266995182 FLQHJZZXHCOPAC-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129597 CXEOAPIRQFVJOA-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 2267482846 JIMUZRIYRANTEZ-OALUTQOASA-N 441.337 1.823 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267526607 VBZCESZMCFXKQZ-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267550331 XYWYFJBQDZVTMI-CQSZACIVSA-N 449.361 1.586 30 10 IDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)OC1(C)C 2267717570 GBUYKOUZLXZZEO-CQSZACIVSA-N 429.369 1.963 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2269067465 RCUNNWUQFAFQTR-KRWDZBQOSA-N 443.309 1.602 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271396271 VYIWFPLIERLFDK-KBPBESRZSA-N 449.361 1.632 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)NCC#Cc1ccccc1)NC(=O)OCc1ccccc1 2286043317 FBWDKQNCNXGQRQ-LJQANCHMSA-N 430.482 1.426 30 10 IDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccnc1 2329012426 UHMJHTQSUMDIOD-INIZCTEOSA-N 429.550 1.898 30 10 IDEE CC(=CC(=O)NCC(=O)Nc1ccccc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 2332114922 FWUBDKLZBZXQTI-UHFFFAOYSA-N 426.498 1.967 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430961757 AQDKHYILMRGTKP-UHFFFAOYSA-N 435.553 1.748 30 10 IDEE COc1ccc2c(c1)C=C(C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CO2 445642006 JUMVKNHJBNFQIC-UHFFFAOYSA-N 439.493 1.876 30 10 IDEE COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)ccc1C#N 460604707 VYFWJKXVSJSAHO-QGZVFWFLSA-N 432.502 1.889 30 10 IDEE COc1cc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)ncn1 461963927 SVIRBNBTAKAZJE-GOSISDBHSA-N 435.488 1.384 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)n1 477444054 NUMYDFUPMIPYSY-INIZCTEOSA-N 427.526 1.611 30 10 IDEE CCc1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513810657 FXGJBLFTOGPQAR-UHFFFAOYSA-N 446.511 1.024 30 10 IDEE CCOC(=O)c1cnc(N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)s1 538148900 RFPVNAXFSSMCOG-QGZVFWFLSA-N 448.593 1.134 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 548042594 GLQRQDYRVWYLBW-UHFFFAOYSA-N 442.501 1.144 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)C3CCN(S(=O)(=O)CC)CC3)cc2C1=O 574479493 PBYATHGRVZYAAW-OAHLLOKOSA-N 447.557 1.991 30 10 IDEE CC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccccc1OCC(=O)NC 585722562 KSVOQEPENJVFAO-GOSISDBHSA-N 426.448 1.706 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 603798892 PHRSYGPJZCSFLR-INIZCTEOSA-N 445.491 1.492 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CCN2CCOCC2)c1=O 679754724 APQPXURGGMVVDA-UHFFFAOYSA-N 441.553 1.406 30 10 IDEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)c1 727418840 YFJZYDFWAMUCJV-UHFFFAOYSA-N 436.493 1.478 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 732496669 DULANDWJPKZPAT-HWKANZROSA-N 438.387 1.850 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@H]3CCCO3)c2=O)cn1 732560944 DCCVOWDPFOJWJF-GOSISDBHSA-N 449.536 1.447 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)CC1 733148920 OMFJHQMNFDWMJZ-KRWDZBQOSA-N 428.558 1.045 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCN1CCOCC1 743725220 JAVHYMFYGVELNP-AWEZNQCLSA-N 446.598 1.125 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1OC 744531093 ITCIRPKKLJKPJV-INIZCTEOSA-N 427.523 1.504 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@@H](O)C(=O)O 757271199 HLSAKVRDPUEDDM-LEWJYISDSA-N 436.464 1.869 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765145883 OXQWITSQYHZQLV-UHFFFAOYSA-N 431.477 1.466 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)c1cc[nH]n1 772610907 PDKPUQMUFFJQSX-UKRRQHHQSA-N 437.497 1.455 30 10 IDEE C#CCN(C(=O)N[C@H](CC)c1ccccc1OCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 774181366 UVLULLFNSORSKO-SJLPKXTDSA-N 435.546 1.437 30 10 IDEE N#CC1(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCN(Cc2ccccc2)CC1 778447535 WESQNDUIBBKFPQ-LJQANCHMSA-N 425.514 1.391 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)n1 788912789 DXEMCNQCKCVEOP-QFIPXVFZSA-N 443.523 1.887 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CCSC2)C1=O 794442080 RSLRDJSOAKBHNY-JKSUJKDBSA-N 449.602 1.290 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)C2=O)n1 799140021 MTSZSKCUSLNEAU-WCDSQHRASA-N 425.533 1.669 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCO2)CC1 802688140 BANSTPRLCVOXCO-QGZVFWFLSA-N 445.955 1.597 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 913378641 GSTGMUPHGYODFX-BJCXIENYSA-N 441.488 1.108 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 924228169 FSISOUFUCNJCIK-JLCFBVMHSA-N 442.472 1.594 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084443129 SDCLKMJDMLWBDX-UHFFFAOYSA-N 443.537 1.632 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)c1 1125293685 DJYSDECSYVJTHC-XMMPIXPASA-N 437.496 1.877 30 10 IDEE Cc1ccc(C[C@H](CO)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C 1141822471 BUVFPSVJIUZRIC-GOSISDBHSA-N 429.542 1.842 30 10 IDEE CCN(C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1 1142221711 GZWIHGCLIHTOSQ-HNNXBMFYSA-N 449.554 1.850 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 1152967302 FVXSWCYCSJGRML-UHFFFAOYSA-N 431.514 1.302 30 10 IDEE C=CC[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1156151079 YSFSVGWHEUBCRZ-YCRPNKLZSA-N 437.496 1.822 30 10 IDEE Cc1nnc(N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c(C#N)c1C 1163978853 DFUFZEQPCWUBNS-UAGQMJEPSA-N 428.493 1.984 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(OCC(F)(F)F)nn1 1166142487 QYDVFPAUMJGYMS-NSHDSACASA-N 443.407 1.273 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1174641517 KGDXLNMHZZUXIG-CVDCTZTESA-N 444.532 1.642 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2ncc(I)cn2)CC1 1175148336 ARFLOVSTCSOPPE-ZDUSSCGKSA-N 442.305 1.211 30 10 IDEE CN(C)C1(C)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1175399843 OBBXGZLMVDUXPD-UHFFFAOYSA-N 426.521 1.871 30 10 IDEE CCS(=O)(=O)C1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1194336005 HRYUDJIMFALAFY-HNNXBMFYSA-N 434.562 1.475 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2CCC(=O)N2)c1 1286310669 XMAWYYBUSFJKAZ-GOSISDBHSA-N 431.500 1.618 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1286343558 WBXBTRAXDLZCKY-VGSWGCGISA-N 443.573 1.980 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1286386895 JBKNUAKGFOWVBG-SFHVURJKSA-N 438.513 1.419 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1286402907 ZBDNPMSMRSAEOI-LJQANCHMSA-N 439.541 1.613 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286545962 DINNUISQIDMKFD-JYJNAYRXSA-N 425.555 1.021 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286600507 ASXQXTMWUSBYDS-IBGZPJMESA-N 433.601 1.225 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(OC(C)C)CC1 1286786725 YGALMEUSFRZQMU-UHFFFAOYSA-N 430.509 1.702 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1286810961 YEJBDTRUOLJFOU-JKSUJKDBSA-N 437.566 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286818761 NNBRWUJOJONPGE-CVEARBPZSA-N 432.550 1.132 30 10 IDEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1291176267 XHKYVUXUOREWQM-CVEARBPZSA-N 432.550 1.903 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N(CCC#N)CC1CC1 1291323182 HRLRWUMJSKQNAB-YCRPNKLZSA-N 444.561 1.940 30 10 IDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1298022027 YRNZDCFLZCFDBH-OPAMFIHVSA-N 431.489 1.785 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1298577105 GRFREZXNBWKYRT-UHFFFAOYSA-N 434.504 1.833 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC1(O)CCS(=O)(=O)CC1 1300291286 CNJHRJAUJGMUQM-MRXNPFEDSA-N 439.541 1.891 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300491423 HOFKHMSXMTVDGK-UYAOXDASSA-N 448.637 1.198 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300493479 UYHBRFKCTRAVQC-SFHVURJKSA-N 440.529 1.384 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1300500495 AAFCUHSIBIKIBW-QGZVFWFLSA-N 437.591 1.687 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1300538678 WIFMROTXNFIMES-HXUWFJFHSA-N 425.558 1.674 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1300603692 WWMFFWMSFOGYRR-REWPJTCUSA-N 432.613 1.804 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CC1 1300698456 SQSIBOYTZKGMFD-LJQANCHMSA-N 426.496 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ncnn2C(C)(C)C)CC1 1300712990 ZSGXWGUEOIXWPU-UHFFFAOYSA-N 426.569 1.936 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300880719 KIHJKMNNJVIBIP-JENIJYKNSA-N 448.593 1.735 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOCC2CCOCC2)CC1 1301066508 RANFNVRXONYWMX-KRWDZBQOSA-N 441.598 1.878 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)CC(=O)NC(C)(C)C 1301578330 XNTAVOWPMHYLIK-UHFFFAOYSA-N 449.577 1.905 30 10 IDEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(CC(=O)N(CCC#N)CCC#N)C2)cn1 1308012267 LNVFVYUAJCMHAU-MSOLQXFVSA-N 428.537 1.823 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1315329274 INEARVTVCIGGKN-MRXNPFEDSA-N 434.928 1.914 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1316284891 FKBCFAAARWQKTK-FEHORTKBSA-N 438.573 1.881 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1353838596 JAOFRXVGVOIZJJ-IBGZPJMESA-N 444.557 1.847 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358960875 NHHYHNBZCQLMEQ-JKSUJKDBSA-N 437.472 1.391 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1358976782 QIBOAYOSTARECE-UHFFFAOYSA-N 443.511 1.274 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358978032 BTCIDXZBDWHNLO-FQEVSTJZSA-N 432.528 1.204 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1359057091 RZALURSIJXZWNI-ULQDDVLXSA-N 441.623 1.460 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N1CCOCC1 1359233040 OMXQLBHHGBYLAT-UHFFFAOYSA-N 447.565 1.028 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1359263905 PHBKCCGKTSCSOP-HNNXBMFYSA-N 437.591 1.959 30 10 IDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1359341725 GJROGZGZFBAUNY-UHFFFAOYSA-N 446.558 1.748 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nc1 1460955962 BHBDUNWXACCYON-HIFRSBDPSA-N 437.465 1.168 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1463719983 HDPLHBHCTONBFI-CABCVRRESA-N 435.974 1.354 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 1466939392 KABNXPVWTYWCTM-VQIMIIECSA-N 439.516 1.949 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1470298008 PCRXQXVOPCHZRR-ZYSHUDEJSA-N 435.521 1.710 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1471536533 YDYVOZYRPISNON-INIZCTEOSA-N 432.546 1.599 30 10 IDEE C[C@H](CC#N)N(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1473273991 VCDNXHDVQXGVNF-VGSSETLESA-N 446.554 1.967 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1503860159 FKKIXOLXBDUVSG-DOTOQJQBSA-N 429.502 1.251 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1503860172 FKKIXOLXBDUVSG-WBVHZDCISA-N 429.502 1.251 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1507564070 MLDPACLOUYNLPK-MSOLQXFVSA-N 439.582 1.420 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507577507 QNHWGQWMLIGFLG-KRWDZBQOSA-N 427.530 1.573 30 10 IDEE C#CCCCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507599278 NABBEOVGZQHAJO-QHCPKHFHSA-N 446.596 1.379 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C 1507617107 QRONATSPROSTKV-JKSUJKDBSA-N 446.552 1.571 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)CC=C)CC1 1507739006 KMDRENRAQISFFL-UHFFFAOYSA-N 433.578 1.502 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC2(C)C)CC1 1507739066 LUCUFAGZAQQRKN-SJORKVTESA-N 433.578 1.192 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1507961702 CSLKFACGDYNATO-IRXDYDNUSA-N 429.525 1.972 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C 1508020823 QOKCCVJYDYPRDE-FUHIMQAGSA-N 439.582 1.341 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508168529 XHNJZGANQUZUAS-UHFFFAOYSA-N 449.625 1.950 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1511888767 FYZXVWCPUBPJAK-CABCVRRESA-N 441.540 1.877 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1514987884 FLLZFEPMWYBYDK-OAHLLOKOSA-N 426.498 1.496 30 10 IDEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1518974030 GRUWNVUXXRMUEM-KXBFYZLASA-N 442.561 1.927 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)CC1=O 1519189903 BQSJZMFSZIMCAI-QGZVFWFLSA-N 426.525 1.304 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCOC(F)F)cc1 1521110086 JBYKUIGQBIAKOY-KRWDZBQOSA-N 448.474 1.879 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)C1=O 1527209483 FARDYFJHRCODMG-JKSUJKDBSA-N 427.457 1.650 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(S(=O)(=O)NC(C)(C)C)CCC3)CC2)o1 1534802337 NWVAIXPJOCEEEY-UHFFFAOYSA-N 437.566 1.828 30 10 IDEE CN1C[C@@H](C(=O)Nc2ccc(Br)c(C#N)n2)N(C(=O)OC(C)(C)C)CC1=O 1537244983 JSCJAJIFEBUBNK-LBPRGKRZSA-N 438.282 1.732 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(O)CCOCC2)c1 1539040072 LHBAKONDNYYYLX-UHFFFAOYSA-N 447.499 1.333 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1-c1ccc(OC(F)F)cc1 1539118216 IPIAAFWEEPGTMM-KPZWWZAWSA-N 437.428 1.188 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539216877 XWIZIBZTSNJRBN-QGZVFWFLSA-N 444.561 1.144 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539222924 YPRHYFPEPCWQTF-ZNMIVQPWSA-N 441.504 1.291 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539705412 SLCJXJUKRMFOOO-HNNXBMFYSA-N 445.611 1.007 30 10 IDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1539759410 HEDKRBNZEHPIND-SFHVURJKSA-N 429.546 1.851 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)C(=O)C1 1540866844 CFMIWKGNYYMTQZ-UHFFFAOYSA-N 440.504 1.281 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1540868018 PECYJPXPVSPYBD-DOTOQJQBSA-N 441.536 1.992 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1540868347 BGPFYOGNOZRMBM-INIZCTEOSA-N 438.488 1.646 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](CN(CC)CC)C1 1540869104 BPWKVTJMVLVOET-INIZCTEOSA-N 443.552 1.476 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1540869694 USRRXRLGHZYRHM-SJORKVTESA-N 444.923 1.763 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1540870803 XKSNYJNXTAQTTF-INIZCTEOSA-N 429.569 1.027 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N3CCOCC3)CC2)CCOC1 1541105701 LYUFAMGUZCUESH-GCJKJVERSA-N 432.569 1.779 30 10 IDEE CC(C)C(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1541278655 RBRMFBSOQFHVDP-SFHVURJKSA-N 436.520 1.408 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1547814585 QUDJVEHVHKNWPL-UHHPSXQGSA-N 443.508 1.397 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1547901739 RWQSWWPEOHRINI-URZJWIJPSA-N 430.553 1.975 30 10 IDEE CCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1548245197 CLAKWAMLDFBIFE-CQSZACIVSA-N 446.533 1.142 30 10 IDEE CN(C)C(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccnn1C 1548375461 MEEHUDQGVBAYEC-KRWDZBQOSA-N 434.422 1.730 30 10 IDEE COCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555425765 DRRXQJQATQMIBQ-JOCHJYFZSA-N 427.553 1.857 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C(C)C)CC1 1558073211 NVUBIHRKXUZWLD-UHFFFAOYSA-N 442.541 1.660 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1565590397 ZTLBGQTWHAHIGG-JBVUFVISSA-N 432.565 1.473 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C(CC)CC)N1CCOCC1 1587663056 TYWFPZMNQZMPQB-QUCCMNQESA-N 430.597 1.995 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588045716 PGQCYPCBBBZVDN-IBGZPJMESA-N 443.573 1.734 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588058768 BZZGQRQSNBUBBW-GOSISDBHSA-N 442.520 1.417 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1588620488 VWFVPCGDWCQKID-MRXNPFEDSA-N 435.525 1.594 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(F)CCC2)CC1 1588884491 BXPKEZYDMQZHAM-UHFFFAOYSA-N 430.528 1.762 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)OCC)CC1 1588890949 JEYQSCZVEBWRJL-QHCPKHFHSA-N 447.580 1.711 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1588929604 DPRRCPBYIAAUBC-OKXSDPAFSA-N 449.621 1.685 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(F)(F)F)CC1 1595562433 YVKXWJYAHIRWFS-UHFFFAOYSA-N 437.470 1.641 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(N(C)C)CCSC2)C1 1595745912 YRAVFHVXXHYBRZ-LAUBAEHRSA-N 434.610 1.619 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1596806288 FNLJOVNQXTYDAZ-CABCVRRESA-N 446.533 1.551 30 10 IDEE N#Cc1ccn(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c(=O)c1 1614712632 LOBKXAPCJDTRKM-YBEGLDIGSA-N 426.429 1.712 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1617442736 IKEDDDIZYASBLY-BGOLNKOXSA-N 442.545 1.356 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1 1617853167 RGXPXLKPAWUMCA-UHFFFAOYSA-N 438.571 1.514 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1619990407 SHEYOMHVNAFWQR-RDTXWAMCSA-N 429.518 1.269 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)C2)C1 1628741552 NHPCXJDBUCPLIS-JXORXQGFSA-N 433.553 1.181 30 10 IDEE COc1c(F)cc(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1S(N)(=O)=O 1629976873 ZPFXIWYAYHVATR-UHFFFAOYSA-N 432.477 1.697 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)CC1 1630034132 HFACLWHERUKGKL-UHFFFAOYSA-N 428.876 1.779 30 10 IDEE O=C(C[C@H]1C(=O)Nc2c(Br)cccc21)NCCN/C(O)=C1\N=CC=CC1=O 1632879892 ACUVTINSJSAZSQ-DUUUWJQVSA-N 433.262 1.518 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C[C@H](O)CCO2 1639080383 DUIJUVJIJQMTCD-QGZVFWFLSA-N 449.573 1.818 30 10 IDEE C[C@@H](NC(=O)CCC(=O)N[C@@H]1CCCN(O)C1=O)C(=O)c1ccc(Br)cc1 1641520966 JLJDQQQVCIXSKR-BXUZGUMPSA-N 440.294 1.413 30 10 IDEE Cn1cccc1C(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1646283388 RGKWYMPOBLWQFF-UHFFFAOYSA-N 428.533 1.960 30 10 IDEE C#CCN1CCN(C(=O)CN2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1660202681 JRNHCSJTBXMJRW-CVEARBPZSA-N 432.487 1.541 30 10 IDEE CS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1662215454 DFCPDPVBJAHDLY-SNVBAGLBSA-N 439.328 1.905 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(Cl)c(Br)c1 1666567507 YZSYSYWYIMFSTP-SECBINFHSA-N 427.729 1.309 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 1671494564 AJKVGQIORKELAF-WNRNVDISSA-N 433.553 1.688 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 1682022328 YGJIWHLVUOPICP-SGIJDJSVSA-N 440.500 1.459 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1689887306 WSWHRXHOJUDFSJ-UHFFFAOYSA-N 443.533 1.383 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1-n1cccn1 1690106362 SGCPOPVZMFKOPK-UHFFFAOYSA-N 445.531 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2c(C)cccc2C)CC1 1690122107 GLSLUMMXILOTLJ-SFHVURJKSA-N 435.532 1.240 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C)C1=O 1690558743 ZKHGVRJGXGLVQL-QHCPKHFHSA-N 435.532 1.959 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690673498 WUKRJTGFACIDIZ-UHFFFAOYSA-N 436.520 1.185 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCC2=O)C1 1690684405 FJZHBRNASSEQSG-GOSISDBHSA-N 430.553 1.698 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCC(O)CC2)C1 1690709988 OLTIAMGTMXNUTQ-NRFANRHFSA-N 426.565 1.892 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1692659254 DVGLPIZLKYNECY-CQSZACIVSA-N 428.522 1.623 30 10 IDEE C[C@H]1[C@H](C)CCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1693735335 OMRCGFFIDZILJY-ZVTPFLCHSA-N 427.509 1.162 30 10 IDEE CC[C@H](C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1693970069 WYHMYGWAXNXOQM-MORSLUCNSA-N 439.520 1.825 30 10 IDEE CSC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCC1 1698365238 CRBFUFURRSMMAI-GJZGRUSLSA-N 442.611 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705475407 RJWSBZCOFCBVAC-QAETUUGQSA-N 440.614 1.234 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1705490197 DTTXNDAXMFAERT-MRXNPFEDSA-N 449.515 1.975 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1705581828 LYKWWBZPZYBYKV-SFHVURJKSA-N 438.536 1.757 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705604935 WZCUPTKKFIRYBW-HUUCEWRRSA-N 442.586 1.651 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC(C)C 1705625727 UOLFAWCVOWCKNF-SFHVURJKSA-N 426.496 1.923 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1705737417 QOQNSFXPWHFMSF-AWEZNQCLSA-N 442.973 1.796 30 10 IDEE C=CCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@]1(OCC)CCOC1 1705893939 WJYWCYCLWTYUTF-QFIPXVFZSA-N 427.505 1.784 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705903447 WMDMDEAFJIHYBN-HOTGVXAUSA-N 432.550 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705934832 YKPXDFYDOFQVJY-OAHLLOKOSA-N 441.579 1.119 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1706672073 XHOIMIDOQWWIHN-BULFRSBZSA-N 433.553 1.989 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@](C)=O)CC1 1710734471 DLAUWCDOICGIPN-QLCIJSRNSA-N 444.565 1.102 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(NC(C)=O)cc1 1712565957 JLKCGXROJISATB-OXJNMPFZSA-N 442.520 1.932 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1722277445 NKUDDJRJUNDWED-IRXDYDNUSA-N 444.605 1.445 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722312085 UDRAMYRYXIIBIJ-UHFFFAOYSA-N 449.519 1.195 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722366957 JXXRGTIXQHGROK-MJGOQNOKSA-N 436.578 1.616 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722465391 KZUJTGBOKYTCSZ-KRWDZBQOSA-N 445.570 1.718 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1722518300 YXBVGQCOQBYMOU-QGZVFWFLSA-N 441.598 1.973 30 10 IDEE C=C(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722525559 CQDZRVSISUHIDP-KKSFZXQISA-N 432.525 1.368 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722724651 CCKWYNRFUYZWCR-RTBURBONSA-N 439.626 1.941 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740587240 COQUMVIZHIFZPL-FQEVSTJZSA-N 430.516 1.497 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](OC)C(F)(F)F 1740647991 ANYLZNKOJOPHNL-ZIAGYGMSSA-N 435.472 1.319 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740674703 QHKPBLBEVCOHDA-INIZCTEOSA-N 430.896 1.958 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1740717014 HDIBGCAAGCMSLB-MRXNPFEDSA-N 426.608 1.800 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740742850 DCQMBJNJQVJYNM-UONOGXRCSA-N 439.358 1.880 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3nc(C)no3)C2)nnc1[C@]1(OCC)CCOC1 1740965992 UVULAXHWONPDHJ-IERDGZPVSA-N 445.524 1.308 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(C(=O)OC)CC2)C1 1740978900 FBKHCPOJAYMCOR-IRXDYDNUSA-N 432.525 1.489 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ncc(CC)s1 1740990630 XXALZPLXZZBLIL-UHFFFAOYSA-N 433.563 1.991 30 10 IDEE Cc1c(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1742082947 VKZIDEXLWVHKPR-SFHVURJKSA-N 426.525 1.339 30 10 IDEE Cc1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)no1 1742122344 FZIDYLHISXVPOO-UHFFFAOYSA-N 429.506 1.689 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1748764062 GXSBDXSDNCNMAZ-WMZHIEFXSA-N 444.580 1.086 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1748771326 KGIHQQPUOROIPN-UZLBHIALSA-N 427.496 1.356 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1748811023 ADPUFSCSNKVELI-KRWDZBQOSA-N 426.502 1.059 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748817501 LMZILPSVDMDZKU-QRVBRYPASA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748818418 BGIUUKROVWOEQN-LZNRXBQRSA-N 445.589 1.688 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1748867894 OBUXYEHBRGIWKI-QHCPKHFHSA-N 443.548 1.031 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1748875119 KAQNWPFWNHCEPO-ZSYWTGECSA-N 443.548 1.662 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2)CC1 1748989128 FYAWOSBOIIRFTR-OALUTQOASA-N 443.573 1.403 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1749016961 QZPHTDHYZRIIDT-TZIWHRDSSA-N 436.560 1.781 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(C)(=O)=O 1749146476 FBVREZOFZZCIBI-UHFFFAOYSA-N 426.564 1.796 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749653110 WEINWJYTLYYZQP-LSDHHAIUSA-N 443.483 1.073 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1nc(C2CC2)cs1)[C@H]1CCS(=O)(=O)C1 1760192028 CUMLWFQMPLBWPH-HNNXBMFYSA-N 435.575 1.824 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1760219925 SKZDUQFEFUOKCW-QGZVFWFLSA-N 449.577 1.510 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760407127 VBBRDVASJRIUKP-YRNRMSPPSA-N 441.598 1.875 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1760440304 HALCYFIZHAWREQ-IRXDYDNUSA-N 427.571 1.438 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1760478411 GVIRMBVEVSPUQA-KRWDZBQOSA-N 432.546 1.906 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760512932 AWFFVEQTKCVHDB-GREBRCKQSA-N 446.596 1.495 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760527480 YJJOHAIMLGRBEH-UHFFFAOYSA-N 434.548 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H](OC)C1 1760560132 YSTLXETVWUJKLI-FJIDUMEYSA-N 442.582 1.464 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@](C)(O)c3ccsc3)CC2)c1C#N 1762399736 ALADHRJGGMBFIC-FQEVSTJZSA-N 426.550 1.796 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1768293565 JSSHEOUQVYIZGA-UHFFFAOYSA-N 447.565 1.107 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1768300134 HMGPFQTYTJDKAB-GOSISDBHSA-N 442.467 1.528 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1771111522 OAJKBSKUYUHJME-GOSISDBHSA-N 440.504 1.689 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cnccn2)nnc1N1CCC(F)(F)CC1 1771564877 XXSCQDJNLPADOS-ICFOKQHNSA-N 430.419 1.497 30 10 IDEE N#Cc1c(F)ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1F 1851993021 QDYIVHFQACJHSM-VIFPVBQESA-N 426.367 1.884 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3F)CC2)cc1 1852443539 NPFLHVUPZSAKHB-UHFFFAOYSA-N 447.488 1.869 30 10 IDEE C=CCN1C[C@@H](C(=O)OCC[C@H](c2ccccc2F)N2CCS(=O)(=O)CC2)CC1=O 1852861418 JCWMUQPCYUUZDA-QFBILLFUSA-N 438.521 1.565 30 10 IDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1856037209 VOFDZHMXCCELES-QGZVFWFLSA-N 431.514 1.413 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[C@@H]1C 1856260293 WTLSPSZIXQNUFY-IRXDYDNUSA-N 432.546 1.836 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccccc3Cl)C2)CC1=O 1856553638 FEBBKJSGYIZHJY-QGZVFWFLSA-N 439.965 1.881 30 10 IDEE C=CCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2cccs2)C1=O 1863469474 KRXISCRQLJNRGG-UHFFFAOYSA-N 431.495 1.951 30 10 IDEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN1CCN(CCO)CC1 1870383691 YUNPDCXQESHAMG-UHFFFAOYSA-N 431.508 1.871 30 10 IDEE C=CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc(OCc3ccccc3)c2)[nH]1 1871634177 LLYMTGXHXTZXTD-UHFFFAOYSA-N 436.516 1.427 30 10 IDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874470491 ILGWWLXXRZNNMV-SRZZPIQSSA-N 437.522 1.690 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)Cc2nccn2C1 2054338168 ZHCSWMKWYAPWII-LBPRGKRZSA-N 435.344 1.830 30 10 IDEE CN(C1CCC1)[C@H]1C[C@H]2C(=O)NC3(CCN(Cc4ccc(C#N)cc4)CC3)CC(=O)N2C1 2080412754 DPAXSTHFLMGKMI-VXKWHMMOSA-N 435.572 1.867 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2109535168 UGCBHNNDBLXHAH-UHFFFAOYSA-N 445.369 1.892 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(C#N)cc2Br)[C@H](O)C1 2197487563 IKGISJRIBSEKFW-KDOFPFPSSA-N 440.294 1.992 30 10 IDEE Cc1ccnc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2255634054 LFRVKBAZFXUIJK-UHFFFAOYSA-N 427.232 1.440 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255646008 SUYHXZZUKAAMKP-CABCVRRESA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255654972 GLEQXTPWFSSWQF-NRFANRHFSA-N 436.314 1.681 30 10 IDEE Cn1ncc(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255821027 CTLOKRATTITZGR-UHFFFAOYSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C1COC1 2256641121 YFFUNZUVRDOISU-MRXNPFEDSA-N 433.314 1.859 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256667105 YKBRJQBEPRPCOF-VGWMRTNUSA-N 438.330 1.164 30 10 IDEE CC1(C)OB([C@@H]2C[C@H]2C(=O)N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)OC1(C)C 2267099640 MJSZMJUIEHQOOK-ZIAGYGMSSA-N 446.275 1.843 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267119901 BZWRGMSRCWDJOB-KBPBESRZSA-N 446.357 1.657 30 10 IDEE Cn1nc(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267128545 YLHNQBFVTUWZOB-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267188206 JEZJHBISCYEGGA-GJZGRUSLSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267526072 MNFIAXYHLJKWFX-ILXRZTDVSA-N 446.357 1.942 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)nc2)OC1(C)C 2269072472 ZFNZEXCUJCZQCB-UHFFFAOYSA-N 439.321 1.697 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286034573 KPBFIKSHCDHDOW-QGZVFWFLSA-N 440.518 1.187 30 10 IDEE CC1(C)OB(c2sncc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2300297870 CTLKSTDZVCJOHA-OAHLLOKOSA-N 432.307 1.842 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315531888 GODNKEVFGPPLOW-CQSZACIVSA-N 434.346 1.801 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 444922632 NMLUISPIJBYJBC-UHFFFAOYSA-N 448.325 1.482 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2CCN(C3CC3)CC2)CC1 444957069 FJOCUVVJTCKMEH-UHFFFAOYSA-N 431.562 1.449 30 10 IDEE COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1F 469273590 YKNPLKNZIQGJED-UHFFFAOYSA-N 439.490 1.401 30 10 IDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 472500902 NLHBMKQBFKJVSI-IBGZPJMESA-N 435.406 1.234 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1Cl 473440762 DFCGYBVMYORVLV-DLBZAZTESA-N 433.873 1.917 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)o1 478755023 QWZYKVOFPSHEKR-WBVHZDCISA-N 428.510 1.489 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)ccc1F 488913802 DSGIPGHKLCUWCD-UHFFFAOYSA-N 428.489 1.593 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CNC(=O)c2ccccn2)CC1 503272704 RZYVVFKDMBCNDW-GOSISDBHSA-N 442.317 1.983 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 505103174 OPYKLSBZZUMVAJ-SFHVURJKSA-N 441.553 1.373 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)n(Cc2ccccc2)c1C 510659376 PVYDWEQTPYNJGP-GOSISDBHSA-N 429.546 1.716 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 515875312 YBPJAQHUALIFIV-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1C[C@@H]1CCCO1 520063261 XTARCHZVONLOAD-AWEZNQCLSA-N 449.935 1.909 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O 530317994 ZVFMMSWSCIPCCZ-UHFFFAOYSA-N 449.536 1.089 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 533692140 BAQIXGXLLLPQQA-MRXNPFEDSA-N 433.480 1.395 30 10 IDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)CC2)n1 534924772 XIYPYJJVPTYTKK-UHFFFAOYSA-N 448.487 1.335 30 10 IDEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCN(c2cccc(C#N)n2)CC1 546915885 AFZXPUKJDUAHFL-FQEVSTJZSA-N 448.571 1.612 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 549264822 REMZWXGAFVFFIV-IBGZPJMESA-N 427.553 1.791 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 555243256 MQSKBZVNGLKYTF-QGZVFWFLSA-N 437.548 1.925 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)NCc3ccco3)cc21 586357116 IWNKMJJKVPXMML-WYIRRWHOSA-N 430.482 1.827 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 603798406 KXSQRQSEJHVKFX-HNNXBMFYSA-N 429.567 1.584 30 10 IDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(c2ccccc2)C1=O 732117740 WJMKVCNHQFGXHU-GOSISDBHSA-N 440.525 1.769 30 10 IDEE C[C@@H](CC(=O)NC1CCN(c2ccccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742541462 FGEKIMWBIDRTJC-HNNXBMFYSA-N 427.530 1.684 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C#N 747498798 SSQHMBKVVPMQOH-UHFFFAOYSA-N 430.486 1.508 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N([C@H]2CCOC2)C1=O 751693321 SXFYULRUABDYDZ-RDJZCZTQSA-N 449.964 2.000 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 760318076 QGNPUMJNHQNRDM-GOEBONIOSA-N 428.518 1.430 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1CC(N)=O 767892842 WZLSYALMEPNMSH-UHFFFAOYSA-N 442.566 1.381 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N1Cc1nnn(C)n1 782807104 UGEAXJYDRPKGEJ-LBPRGKRZSA-N 441.439 1.719 30 10 IDEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1CCOc1ccc(F)cc1 800489843 DIKVJEQBDXUWTR-CZIZESTLSA-N 428.424 1.061 30 10 IDEE Cn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800746088 LXDSJPSHNUJKNR-GOSISDBHSA-N 441.561 1.443 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(-c2ccnn2C)c1 802721948 MAAPAWHHVHQAGD-SFHVURJKSA-N 431.521 1.824 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 808463986 GAUZOQHQYQUOKM-XMMPIXPASA-N 432.480 1.927 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 809889388 AOVVHILGDHQSGX-HOTGVXAUSA-N 434.541 1.864 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCO3)n2C[C@H]2CCCO2)c1 812253039 KFWWKOXJTSMCQT-RTBURBONSA-N 425.489 1.601 30 10 IDEE CC(C)(C)OC(=O)NCC1(C=NNC(=S)NCCN2CCOCC2)CCOCC1 814213715 HGPVTEJBTIJDOV-UHFFFAOYSA-N 429.587 1.090 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 819081767 OYADXEFIDRAVCN-XIRDDKMYSA-N 433.530 1.838 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856610512 VDGRAMPTJVUGOX-UHFFFAOYSA-N 440.504 1.469 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)cc1 1167265549 MKNBHQBIJYWQGX-UHFFFAOYSA-N 445.488 1.565 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1178208343 QOGJKPGLSYHMBH-UHFFFAOYSA-N 431.558 1.504 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ncc(C(=O)OC)s3)C2)cc1 1179538238 VPWQKDWWKNEILV-AWEZNQCLSA-N 433.511 1.471 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(-c3cccs3)nc3ccccn23)CC1 1215146796 HVPINXXZFMVVBG-UHFFFAOYSA-N 444.542 1.680 30 10 IDEE CN1C(=O)CO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 1268982821 NIQLZRSKSCCUIU-NRSPTQNISA-N 433.468 1.163 30 10 IDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286316003 QOFSYODKSPVIRA-KDURUIRLSA-N 445.545 1.560 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1286361302 NKQMRGKQFUGOJS-KRWDZBQOSA-N 444.605 1.795 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1286376833 OMOIVEFRCSIYOB-IBGZPJMESA-N 441.557 1.420 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1286394220 OBEYKIRRWCUIRT-CVEARBPZSA-N 449.508 1.022 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286463225 BYDGVJUAILAOLJ-SFHVURJKSA-N 431.562 1.621 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286611001 FFJIBLHOMPZJMN-IBGZPJMESA-N 443.552 1.404 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286711794 POHQPSVGFBAQPH-IBGZPJMESA-N 448.568 1.339 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1286755451 YYTHSWWAOVTSKR-OAHLLOKOSA-N 429.550 1.695 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1286757854 XKCTZGCHGZPFBZ-SFHVURJKSA-N 439.545 1.988 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1CCOCC1 1286782824 AJBLXUQFOZMNHG-UHFFFAOYSA-N 435.532 1.564 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1286792655 DTRHFJDOHVKVRV-OAHLLOKOSA-N 444.561 1.548 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCC(=O)N(C)C 1287217800 DNYLEKJKMRMDRW-INIZCTEOSA-N 425.541 1.647 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1287927002 GOEHRSRQSDEHJD-QHCPKHFHSA-N 437.548 1.928 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1Cc1ccc(C#N)o1 1288109594 XAVHEFJTZYSNOL-UHFFFAOYSA-N 425.493 1.424 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 1295383496 CMGMFXADBYFORL-HZPDHXFCSA-N 428.961 1.787 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1296946878 LHJBPLNEGRZRIE-MRXNPFEDSA-N 429.521 1.736 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1297309815 LWKGXEAHRJJOPL-CABCVRRESA-N 432.447 1.197 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)c1 1298741921 CRYUBCVFEBTUOC-UHFFFAOYSA-N 442.549 1.168 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 1299188692 XOVUWECIONGHLH-HNNXBMFYSA-N 445.453 1.878 30 10 IDEE Cc1ccc(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1299977841 IJBHCCGFJSZNFH-LJQANCHMSA-N 435.546 1.485 30 10 IDEE C#CCN(c1nnc(C)n1CCc1c(OC)cc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1300481979 CRIQZSCAIIZZOJ-MRXNPFEDSA-N 448.545 1.482 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1300496766 UWODINUPQCIDIB-LJQANCHMSA-N 447.605 1.965 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300497032 XDAVJRWBPIHMFH-XUVXKRRUSA-N 449.621 1.673 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)N2CCOCC2)CC1 1300700918 BGSQPESBMLHBBU-SFHVURJKSA-N 444.530 1.623 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300898242 WMUOHOTUHSYOHT-NSHGMRRFSA-N 433.553 1.623 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301082569 JGQULNBMTXOJDF-QZTJIDSGSA-N 430.484 1.818 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1301424578 MNWYSJBBVACZOX-WIYYLYMNSA-N 437.610 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301585571 CVMGRMGOQGNSKQ-RBUKOAKNSA-N 431.562 1.728 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302480117 ZCHHCMNNBNRVGP-GOSISDBHSA-N 438.536 1.495 30 10 IDEE CC[C@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1305374676 MXBIHMXOVRNXAT-HMWBCQRISA-N 431.541 1.669 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@H]2CNS(C)(=O)=O)n(C2CCCC2)c1C 1307976616 UKALRTXBZJTQBJ-QGZVFWFLSA-N 437.566 1.280 30 10 IDEE COCCN(CCC#N)c1nnc(CC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1316101153 DDRFUPNAGHMVOO-UHFFFAOYSA-N 427.571 1.173 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1316173879 ZTIFSDHOSFQRPC-GJZGRUSLSA-N 433.513 1.120 30 10 IDEE C=CCO[C@H]1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1320206243 XDUIUMVCHRJNLA-HNNXBMFYSA-N 447.513 1.378 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@@H]1CCCO1 1339621276 BXQJRGQLKCTALV-IBGZPJMESA-N 435.549 1.359 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358964542 AWRUUPJVNCGWRR-FQEVSTJZSA-N 438.557 1.586 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1 1359073292 KPKOMBLTJSCPOG-GCKMJXCFSA-N 429.546 1.802 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1359240433 OGBQBVHWOUPSRI-GOSISDBHSA-N 442.545 1.830 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1359280588 XAIQKTKNDQFTIE-UHFFFAOYSA-N 430.528 1.887 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CC=CCO1 1360237660 LXAMCWRFEVTASH-GOSISDBHSA-N 436.520 1.355 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1454975286 JHHWLKHZRIXIJQ-OWCLPIDISA-N 425.526 1.780 30 10 IDEE CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1456479779 ZKJORTGTTFMROL-HKUYNNGSSA-N 441.575 1.626 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCC2(O)CCN(c3ccccc3)CC2)c1 1457975438 WIXBUQUPWHRQQD-UHFFFAOYSA-N 442.541 1.374 30 10 IDEE C=CCOCCCNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1461632197 KGYBYADLPPBUQN-UHFFFAOYSA-N 435.502 1.284 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1)C(=O)OC 1468873688 SQUHCZYNVTUHMS-OIISXLGYSA-N 436.530 1.847 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)s1 1469040305 SSMPQBZLRZCQPY-INIZCTEOSA-N 437.518 1.816 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCOCC2)CC1 1471289529 OQUIEOGCSIMTSO-UHFFFAOYSA-N 426.561 1.839 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4ccnc(C#N)n4)CC[C@H]32)CC1 1472805230 BQUIVSRTPKMAMZ-HZPDHXFCSA-N 427.509 1.720 30 10 IDEE N#Cc1cnc(N2CCC(n3nncc3I)CC2)c([N+](=O)[O-])c1 1472831962 NCKPLBUVAUPVMH-UHFFFAOYSA-N 425.190 1.899 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1497465164 GWNNCLPHQXFYDE-KRWDZBQOSA-N 440.504 1.921 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1503280666 QQHLTANFYNDFQB-APWZRJJASA-N 443.577 1.429 30 10 IDEE CNS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](F)(C#N)C1 1503838368 GPORJWJEUHUBNF-SFHVURJKSA-N 438.554 1.870 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCOCC2)C1 1505311647 DATYMEXRGZOIOC-NRFANRHFSA-N 443.483 1.953 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1507550166 HDLNPILQEVWYBZ-GOSISDBHSA-N 444.561 1.321 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCOCC2)c1 1507657739 ZHWPIZLMMXMFEF-UHFFFAOYSA-N 448.527 1.474 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1507658959 SKVVOMATAVWUPF-GOSISDBHSA-N 438.919 1.603 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507660832 ZYBMFTGPRTYGFQ-INIZCTEOSA-N 433.509 1.569 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1507667114 KQJKKISBBMDVSQ-QGZVFWFLSA-N 428.537 1.997 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1507700467 QQJOSKUFJVXPOF-MSOLQXFVSA-N 438.507 1.923 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(C(C)(C)C)n2)CC1 1507723428 IGWWFVXDLRNVLM-QGZVFWFLSA-N 441.605 1.981 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507750384 SOQVNXFQMCIMHB-SFHVURJKSA-N 443.621 1.687 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)OC(C)(C)C 1519451379 WYJMONVDKZWJCC-XHSDSOJGSA-N 436.513 1.256 30 10 IDEE COc1ccc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 1538309574 CHKLKLZKSPJZIJ-GUYCJALGSA-N 427.320 1.787 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1539237992 PFCUQCYRYBTCNF-QHCPKHFHSA-N 436.516 1.930 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539331311 MYTKBOZMOOPDQN-OAQYLSRUSA-N 439.585 1.808 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1539444231 KFYFCSBMQIDURY-UHFFFAOYSA-N 432.532 1.232 30 10 IDEE C#CCSCCn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539531583 XNYHRJBNQRNEHX-OAQYLSRUSA-N 435.594 1.777 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCN1CCCS1(=O)=O 1539539341 SUOMCXIJWMMFEY-QFBILLFUSA-N 425.555 1.030 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1539627223 IHHWRQFJGDPSIE-HBFSDRIKSA-N 427.553 1.873 30 10 IDEE CN(C)S(=O)(=O)C[C@H](NC(=O)c1cccc(C#N)c1Br)C(F)(F)F 1539838865 LILGPLZKGTTZTF-JTQLQIEISA-N 428.230 1.873 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540865227 YOQMESIMMAYBOW-NRFANRHFSA-N 448.474 1.811 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1540888933 BCGMAOXFSSJRJI-UXHICEINSA-N 440.596 1.790 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCOC2)C1 1541990938 QJJFOTFYSORRKO-GCJKJVERSA-N 430.553 1.974 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccccc2F)cc(OC)c1OC 1542479356 JBZUFFYQEOLNJJ-CQSZACIVSA-N 437.449 1.511 30 10 IDEE N#CCCN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccc(F)cc1 1542899289 XPOCZZARGARJSG-UHFFFAOYSA-N 438.868 1.803 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1Cc1ccc(C#N)o1 1545943147 UXKFKTQEZKMBEO-KDOFPFPSSA-N 439.520 1.672 30 10 IDEE CS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548380039 OWDXWABUIJORDI-OAHLLOKOSA-N 430.452 1.683 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(O)cc1 1555663368 LBHSZCHHUBBSJL-APWZRJJASA-N 426.521 1.933 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)nnc1-c1ccco1 1557897705 SKCIHUZWPUHTIK-BGYRXZFFSA-N 429.502 1.718 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1557977127 AWSHDYZDKIMPKZ-INIZCTEOSA-N 434.468 1.802 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2=O)C1 1565246622 FXZKRUWLZWZGFD-ZWKOTPCHSA-N 439.516 1.545 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(CN2CCCCC2)no1 1568976659 WYQZAWUGRJCVDA-UHFFFAOYSA-N 446.533 1.191 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1587621401 TYBAJCCPUXRKQK-CABCVRRESA-N 440.529 1.085 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1587705695 GULKTVJGCDSTQT-MRXNPFEDSA-N 438.598 1.387 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588051145 ZWEFESQORDEYHC-WWMYMODYSA-N 444.561 1.710 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588059318 LSEYJECBLAPNRR-GOSISDBHSA-N 432.594 1.860 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1588084796 WYQMHJZIXKNBKZ-CQSZACIVSA-N 436.925 1.089 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)CC1 1588908310 OFNOGUSBWUONNS-UHFFFAOYSA-N 428.500 1.564 30 10 IDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1593740517 BRRXSDQNBXAUHI-NRFANRHFSA-N 432.613 1.979 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1594004126 UQGQHPGUVVSVSM-UHFFFAOYSA-N 444.561 1.649 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)COC)CC1 1595555604 FADBOGWHKWDPMG-UHFFFAOYSA-N 444.511 1.042 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595784122 CZIIYYSKIQBRQN-HNNXBMFYSA-N 431.522 1.949 30 10 IDEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1596713465 KHPSDZWJINJIKH-HXUWFJFHSA-N 432.488 1.711 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3noc4c3COCC4)n2CCCNS(C)(=O)=O)CC1 1611771945 GNAQGFFDWGSXGR-UHFFFAOYSA-N 449.537 1.075 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1615213660 RZRRVYHIAMNHOK-GOSISDBHSA-N 449.602 1.946 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1619979428 QECTZXLNLFYGBC-DGPHOGNSSA-N 430.509 1.517 30 10 IDEE C[C@H](NC(=O)[C@H](C)N1CCO[C@@H](c2ccc(C#N)cc2)C1)c1ccc(S(N)(=O)=O)cc1 1620623973 LMXWPNKIVSEGON-CKJXQJPGSA-N 442.541 1.845 30 10 IDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)ccc1Cl 1624603286 HNQQVLVPNXSRMW-UHFFFAOYSA-N 445.888 1.940 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c(Br)nc3n2CCOC3)[C@H](C#N)C1 1624820277 YDEJARDXOYHQME-GHMZBOCLSA-N 440.298 1.665 30 10 IDEE C#C[C@H]1COCCN1C(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1626206122 YDAFWTFBRIKQIG-ZDUSSCGKSA-N 449.554 1.954 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 1628324418 DXOMETIZAMZZNB-KRWDZBQOSA-N 442.541 1.175 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@]1(OCCO)CCOC1 1628967076 KYUAHDBMEQPLPG-XXBNENTESA-N 445.516 1.677 30 10 IDEE COCC#CC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1629022488 OKKJFRVQAHUGRN-UHFFFAOYSA-N 426.330 1.814 30 10 IDEE C=CCN(C(=O)c1cc(S(N)(=O)=O)ccc1O)[C@H](Cc1ccccc1)C(=O)OCC 1632980887 GGQCDBYUKNGJOZ-GOSISDBHSA-N 432.498 1.842 30 10 IDEE CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1633550702 XWYKZXKDWGGXBL-UHFFFAOYSA-N 434.500 1.358 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2nn[nH]n2)CC1 1636174651 NLZQILFSAGGLNX-UHFFFAOYSA-N 431.522 1.205 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 1638401603 RVHVMRYBLPIMMV-QZTJIDSGSA-N 428.489 1.550 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CN=[S@@](C)(=O)N(C)C)CC3)cc2C1=O 1640408122 FCYWWYDKQIJJRY-SSEXGKCCSA-N 432.546 1.895 30 10 IDEE C[C@@H]1c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2CCN1C(=O)OC(C)(C)C 1645997499 BFVQIDXNMKAEAX-LRAJWGHMSA-N 448.545 1.810 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(CCc4ccc(S(N)(=O)=O)cc4)CC3)n[nH]2)cc1 1647166292 DCJRWPLREZXDIX-UHFFFAOYSA-N 436.541 1.960 30 10 IDEE COc1cncc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)c1 1648035598 MXKYRLXSFHICSH-HXUWFJFHSA-N 440.573 1.683 30 10 IDEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1648217320 PNNUXGLDWXJCTE-LIRRHRJNSA-N 443.481 1.360 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@@H]2C2CC2)CC1 1655716788 OGEFBLRYGRUNHL-ZWKOTPCHSA-N 436.603 1.356 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCN(c4ccc(C#N)cn4)CC3)OC2=O)C1 1657041647 HLBXZBQGTIKMRW-QGZVFWFLSA-N 427.505 1.628 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1658187971 LSYRIFMMGMUGNH-HNNXBMFYSA-N 425.507 1.266 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)C1 1671489782 BDHYEGIJZQKQOT-DOTOQJQBSA-N 443.504 1.619 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1689827863 JNPDLBBUGQYTSA-UONOGXRCSA-N 440.570 1.213 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C1CC1 1690037524 XOBLSGMVEOHXAD-UHFFFAOYSA-N 439.541 1.338 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690054773 HILPJFYPDNEMTL-UHFFFAOYSA-N 435.576 1.863 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1690076822 BVAXROXWSIQWDE-MRXNPFEDSA-N 436.559 1.114 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1690103202 AWQUDYOYVQCYBB-HKUYNNGSSA-N 435.594 1.283 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690659223 MZLCXPWVOZTVPA-UHFFFAOYSA-N 428.541 1.140 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690674710 CDTMRQRYLLDNEB-HKUYNNGSSA-N 438.532 1.491 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690746718 IDVATATWABDHKJ-RDJZCZTQSA-N 436.607 1.276 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)C1 1696940954 NDLFOHKFSGDZNU-IBGZPJMESA-N 426.521 1.832 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1696982192 LOUGFJAPZFKXGH-VZCXRCSSSA-N 437.504 1.434 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1698248100 OAJOUNOGSJWQCO-BXWFABGCSA-N 437.566 1.709 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1705638139 AGMNLLMNWHVTCC-PMACEKPBSA-N 427.597 1.352 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCO[C@H]2CCOC2)CC1 1705649406 WRRJWIYHHYWZMS-SFHVURJKSA-N 426.521 1.435 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1705706144 QHTJYROJCOIYJF-BLIXFSHQSA-N 430.553 1.439 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728483 MFGRZWKHMNSHKO-QFIPXVFZSA-N 448.568 1.469 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705735164 KQALAPPYORSEAE-QZTJIDSGSA-N 446.552 1.531 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 1705908743 VIORNKUHMTWTLE-SFHVURJKSA-N 443.573 1.674 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1722363505 GDEQVBYJTXLIIH-MAUKXSAKSA-N 431.562 1.474 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1722395125 RDKJTOJQJFTNAB-RUZDIDTESA-N 449.555 1.995 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCNC(=O)C(C)C)CC1 1722442457 XNGHYOQVRXHQHR-UHFFFAOYSA-N 442.539 1.914 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1722459478 KUNPTMUXDYOIDA-QGZVFWFLSA-N 426.608 1.536 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722464456 GONHWWFWABOMME-DLBZAZTESA-N 439.607 1.500 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722491636 MJCMEORTYIINTI-LFDJNIOPSA-N 449.552 1.918 30 10 IDEE C=CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1722650389 ZJJNAESFJJPACQ-UHFFFAOYSA-N 432.488 1.153 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722679303 WCAPNPOKGSHQJO-HXUWFJFHSA-N 436.534 1.142 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCSCC1 1729066569 GJBNNTSQZMMCMK-UHFFFAOYSA-N 442.593 1.457 30 10 IDEE COC1(C(F)(F)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1729906511 ASCKXTKWKYXKQZ-OAHLLOKOSA-N 434.447 1.900 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CCOCCCO)c1 1731179048 LPRFHQILKQODBH-LJQANCHMSA-N 439.520 1.256 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740617250 OOSJQSRIKXBATQ-CRAIPNDOSA-N 429.546 1.566 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740705432 HAWOCPZBMDTBMO-GWJPWWOOSA-N 429.565 1.689 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740890344 YTORVCMNYQBHBP-HXUWFJFHSA-N 446.596 1.857 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OCCN2CCCC2)CC1 1740958007 GWTVVYQOXDGQGX-HXUWFJFHSA-N 446.596 1.903 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccn2)CC1 1740990165 KLKPHGHWPUKTBK-UHFFFAOYSA-N 427.534 1.596 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1741003527 WJFNDIRTURAXTM-INIZCTEOSA-N 427.596 1.158 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1741723800 MQZXROUGTTWONK-FGZHOGPDSA-N 432.569 1.515 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747421615 NUHVVZXYNGETTP-MRXNPFEDSA-N 432.506 1.099 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1747867458 BLXTUKAXCPSIGU-ZZEZOPTASA-N 425.493 1.662 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCN(C(C)=O)CC1 1748773944 MVNMSWBJXFFLRR-UHFFFAOYSA-N 432.532 1.569 30 10 IDEE C#CCN(c1nnc(COCC)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748824772 STPAVCIPHSHZFB-CYBMUJFWSA-N 440.513 1.737 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1748826038 KWLGTYNKVMGHSR-IEBWSBKVSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)C(C)(C)C 1748836525 YUHXBSJLHUCDHV-WJOKGBTCSA-N 436.545 1.541 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCS(=O)(=O)C1 1748915627 ZRUFHUWGNIWZTR-GFCCVEGCSA-N 426.340 1.930 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1748984406 QYJITQYYUVPQQC-HXUWFJFHSA-N 425.581 1.396 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1749039267 RVWUTUZBMVNJKQ-DOTOQJQBSA-N 436.559 1.718 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1749064142 NTKUNYMLBQQVKQ-OAQYLSRUSA-N 443.577 1.755 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749226940 VPQQZDXWOKXZDN-FHWLQOOXSA-N 432.569 1.369 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1749246346 AFVMJYOHLMVNSN-AWEZNQCLSA-N 436.948 1.997 30 10 IDEE C=CCCOCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1749460601 CXSJRWMBGAJGSI-STZQEDGTSA-N 436.553 1.907 30 10 IDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1)C1CC1 1749508330 OMJFGKUWRYXUNS-QFIPXVFZSA-N 433.553 1.756 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC)C1 1749697902 NUQWAKDKHQMZNV-NVXWUHKLSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1749734219 GJMHOMQHXVYXSL-GOSISDBHSA-N 439.626 1.626 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749756572 ZODCTPJFNKFQSY-HZPDHXFCSA-N 439.607 1.301 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1750062617 XCHWRXIXZBYMMH-WHSLLNHNSA-N 425.493 1.859 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCS(=O)(=O)N(C)C)cs1 1751772791 DCUINTZIEZJWKH-UHFFFAOYSA-N 437.595 1.655 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1760101879 CCLXCQDEGYHBON-OAHLLOKOSA-N 443.504 1.288 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(S(C)(=O)=O)CC2)c1 1760128209 BNVGJELOEJYSJP-UHFFFAOYSA-N 427.530 1.789 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760189442 PCLKGQXCSOHOIP-UWJYYQICSA-N 431.562 1.826 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760242887 RHBAEBUOBYSQHW-QZTJIDSGSA-N 437.610 1.866 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(O)c2)CC1 1760265566 DSYMKUMLKUAIOP-KRWDZBQOSA-N 441.532 1.722 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760272421 JSRUSRCOQKMCTQ-IIBYNOLFSA-N 435.594 1.947 30 10 IDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760274398 JIUNXJOIGQTPLI-JKSUJKDBSA-N 425.555 1.645 30 10 IDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760440260 FNGOFNFUPGBLAA-IBGZPJMESA-N 444.580 1.689 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1760440424 JSPQXKVGWOVSRO-CVEARBPZSA-N 427.571 1.581 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1760504459 ZWQMDYHVLGREIO-QGZVFWFLSA-N 434.566 1.711 30 10 IDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1764212912 GLYUQWXIEXEMLV-RTBURBONSA-N 427.505 1.994 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1767606896 BHAQGKRXWGKBDY-QFIPXVFZSA-N 437.504 1.621 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1768750667 JCHMMTNLIXSOLF-ZPHPHTNESA-N 428.472 1.389 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1770159610 LAZNACOYMLTQQQ-OAQYLSRUSA-N 426.477 1.511 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1770204824 RNHQISXUAZSOLS-NHAYFPRASA-N 437.566 1.567 30 10 IDEE COCCOC1(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1771232148 LXGSHFKFTCLICZ-IBGZPJMESA-N 431.472 1.389 30 10 IDEE COCCN1C[C@H](C(=O)N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)CC1=O 1850487577 CEEINGHNFQBRJF-QGZVFWFLSA-N 429.498 1.433 30 10 IDEE C=CCN(C(=O)[C@@H]1CSC2(CCC3(CC2)OCCO3)N1C(C)=O)[C@H]1CCN(C)C1=O 1852209429 YXMHIYROGSKCNQ-IRXDYDNUSA-N 437.562 1.209 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCCCN2CCN(C)CC2)c2cccn2C)c(C)c1 1853544034 HPSYWJMVYQKDHO-UHFFFAOYSA-N 447.605 1.936 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)C(=O)C12CCCCC2 1854432019 NIKCFVPJVOVCPZ-KRWDZBQOSA-N 431.514 1.465 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CC[C@H](N)C(O)O)sc2c1 1865958922 LJKDNJXRRJOFKX-ZDUSSCGKSA-N 440.547 1.016 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCCCCO 1870545949 ZXMCNAMPBHFING-OAQYLSRUSA-N 447.576 1.859 30 10 IDEE O=c1c(Cl)c(N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)cnn1[C@@H]1CCS(=O)(=O)C1 1873529685 WRCGCILHPUXVPN-WINHXHGESA-N 443.825 1.022 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccccc1C(=O)O 1874434841 AEDBUYLNYJPRBJ-ODCIPOBUSA-N 433.490 1.786 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1909080504 DMVUAAFEXZHJDV-MNOVXSKESA-N 427.317 1.667 30 10 IDEE Cn1ncc(Br)c1S(=O)(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107465323 DFEWHBSWYGGSQY-IAZYJMLFSA-N 432.149 1.895 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243438052 GOUCYGFOTCLTDF-OLZOCXBDSA-N 444.384 1.991 30 10 IDEE C[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2243678602 LOPKQGGCOFHXKV-LLVKDONJSA-N 426.348 1.843 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248403620 FUEYBJADMDYXID-SWLSCSKDSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255534369 GITJARBHAVSTSC-SCAQPMJSSA-N 429.326 1.976 30 10 IDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255542001 LLYZIJOMXSWTEZ-UHFFFAOYSA-N 426.326 1.450 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632270 KXXQTWDEVNYMNN-KGLIPLIRSA-N 432.330 1.933 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)n1 2255832297 KBFKHYHMSFQSLZ-UHFFFAOYSA-N 434.346 1.894 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2267185404 UWGQGFOWWMBMEU-GASCZTMLSA-N 446.357 1.658 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267590564 QKWINAVBPIHKDV-HZPDHXFCSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2319673453 BWEYOWBGKMKGEU-VFCRVFHLSA-N 440.346 1.414 30 10 IDEE C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 34677208 WGIUWAHFYUGAHW-SFHVURJKSA-N 442.516 1.778 30 10 IDEE CCOC(=O)c1c(C)oc(NC(=O)[C@@H](CC)n2c(N)nnc2SCC#N)c1C(N)=O 40173536 VPTWQYLRNOUQLU-SECBINFHSA-N 435.466 1.243 30 10 IDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3OC)C2)c1=O 101456152 OZOFYWYAJZUZHA-CQSZACIVSA-N 444.444 1.152 30 10 IDEE COCCCn1c(=O)/c(=C\c2ccc(Cl)cc2)s/c1=C(\C#N)C(=O)N1CCCC1 105754094 KMYGBBGJKPUGFO-RDRLOQENSA-N 431.945 1.725 30 10 IDEE COc1ccc(-c2nc3n(c(=N)c2C#N)N=C(N)/C3=N/Nc2ccc3c(c2)OCO3)cc1 138031334 XLYOWXMTUAFRBC-AWNFCSIISA-N 428.412 1.589 30 10 IDEE CN(C)C1CCN(C(=O)Cc2noc(-c3ccc(S(=O)(=O)CCCC#N)cc3)n2)CC1 445603644 FNQSQNBUWRYFSZ-UHFFFAOYSA-N 445.545 1.909 30 10 IDEE CCc1noc(CC)c1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 445975044 RCVKSUMQWNCADJ-UHFFFAOYSA-N 431.518 1.887 30 10 IDEE CCN(C)C(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447414030 PWYHFKQAWCOXAK-UHFFFAOYSA-N 447.507 1.762 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccccc1C#N 480926674 LOVBPVBPVRANIL-UHFFFAOYSA-N 448.529 1.646 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489075926 PCWZWSZMXGRHMO-UHFFFAOYSA-N 434.543 1.574 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)C1(S(C)(=O)=O)CC1 510265238 SOQYBERQUFYCIB-OAHLLOKOSA-N 427.530 1.904 30 10 IDEE CN1C(=O)C[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@@H]1c1cccnc1 510384677 NZMUAPJLQNAXJV-AVRDEDQJSA-N 443.511 1.990 30 10 IDEE COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 520590883 FYXBFHUUTIARAX-UHFFFAOYSA-N 436.468 1.393 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3nnc(C)s3)cc21 526885825 NDMZVVXVIGKPPN-WIPGAUKJSA-N 448.526 1.717 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@H](C)C#N)C3CC3)CC2)c1 532818839 WFJYVIOCMNXUQV-MRXNPFEDSA-N 432.546 1.346 30 10 IDEE C[C@H]1Cc2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc2N1S(C)(=O)=O 546169160 DYGUNLOEERBLNL-HNNXBMFYSA-N 425.514 1.626 30 10 IDEE N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)c1 574934894 LWZCEBPJZFYBNJ-NRFANRHFSA-N 432.480 1.850 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c1 583294690 VNKMXEOWIKADSB-KRWDZBQOSA-N 427.530 1.776 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC)CC1 583487896 UARSWDBNDYNYOJ-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 604022615 ZGMNRGOPHPDLDY-HNNXBMFYSA-N 433.983 1.731 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C3CC3)c2=O)cc2c1OCCO2 614973593 VFABCDXULIUMMH-UHFFFAOYSA-N 426.494 1.753 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@H]1CCS(=O)(=O)C1 730213967 SAZJJKGTFFUXHP-HNNXBMFYSA-N 444.600 1.431 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)ccc2I)CC1 733150184 DSBFQCBPHGXZHH-UHFFFAOYSA-N 439.297 1.497 30 10 IDEE C[C@@H](CS(C)(=O)=O)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 733202197 PAHNDDQYXGJTOB-NHYWBVRUSA-N 427.523 1.859 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(O)nc2ccc(Br)cc12 737848837 SJQAEHLBAKTJOZ-FBMGVBCBSA-N 431.246 1.959 30 10 IDEE Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 753144929 XMODXWPXRUHWOG-DHIUTWEWSA-N 446.555 1.620 30 10 IDEE C[C@@H](OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)Nc1ccccc1C#N 755187997 YJJDAHKWFTXPJA-RHSMWYFYSA-N 444.488 1.944 30 10 IDEE Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CCC2=O)cc1C 760988023 UPFAMEVJYTYDNM-WMZOPIPTSA-N 431.514 1.012 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@H]1CCCO1 761836217 OXMPFNGTLOANNK-CQSZACIVSA-N 444.582 1.452 30 10 IDEE O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 761852156 IBBGDIKQRBGREP-UHFFFAOYSA-N 434.495 1.166 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 767881326 UEXSTVRXXRKPGD-UHFFFAOYSA-N 446.598 1.207 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)[nH]1 786071867 UEKNMNCDHIYESX-MDWZMJQESA-N 428.470 1.188 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCc3ccc(C#N)c(F)c3)c2)CC1 791275724 GTNYRNXWJJENNT-UHFFFAOYSA-N 445.472 1.907 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCCNS(=O)(=O)c1ccccc1Cl 799025004 GZXZUARLPWWJGY-ISLYRVAYSA-N 440.909 1.041 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1CCOC 802461997 DKEOXRIJAHJHKC-UHFFFAOYSA-N 426.525 1.436 30 10 IDEE CC[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)OC 809942483 VEUUISISAZVLEB-SJLPKXTDSA-N 431.562 1.983 30 10 IDEE C#C[C@H](NC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1 812936866 WKHFFRMAIOOQQE-ACJLOTCBSA-N 432.477 1.735 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 834860602 CHSGLSULYILOTN-UHFFFAOYSA-N 427.482 1.944 30 10 IDEE N#Cc1cn(CCC(=O)Nc2cc(F)c(I)c(F)c2)c(=O)nc1O 1136551756 PPUQDBDFOQWCTQ-UHFFFAOYSA-N 446.151 1.732 30 10 IDEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1154570906 LZLKZDLOLDQEPU-HOCLYGCPSA-N 437.518 1.122 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167527996 VODAFJDWNFEKEN-BHYGNILZSA-N 445.520 1.753 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1286387471 RFCHDYBXECNNEL-MRXNPFEDSA-N 442.545 1.817 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1286389506 LEEVTBBXMLOEOW-IBGZPJMESA-N 445.593 1.180 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286389629 NRUIRIXBPTWJMI-OALUTQOASA-N 445.593 1.180 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286398260 HXCATKCKHJTCKQ-SFHVURJKSA-N 436.491 1.070 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1286407731 PQOKQQQBRDLFBX-OAHLLOKOSA-N 432.406 1.686 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1286411105 YWWTWCGVTPMIBT-SFHVURJKSA-N 442.541 1.731 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286439624 UFAFGCWYMPWSCT-SFHVURJKSA-N 431.475 1.681 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)C(C)C)CC1 1286473905 VDEVJRBHDIPOAH-UHFFFAOYSA-N 439.520 1.771 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286604675 AMPYDLIZYHKHMQ-LJQANCHMSA-N 426.521 1.760 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)CC1 1286652196 UBNDURDXFPGOSH-OAHLLOKOSA-N 428.628 1.340 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286692156 CCCMFJFKHYWJLW-HNNXBMFYSA-N 441.602 1.485 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCOCC1 1286743944 YPONCCCIFZBYQH-QGZVFWFLSA-N 449.577 1.622 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1 1286784325 DSJCTNUEKHXQCO-LJQANCHMSA-N 447.337 1.712 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286821872 CQWCTBZDRVPCMI-UFRUDQCGSA-N 431.562 1.462 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1286966865 WAEPANPQMHZTKQ-SNVBAGLBSA-N 427.387 1.280 30 10 IDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@]2(CCOC2)O1 1289030482 AYOJMPDRQFEKDB-HSZRJFAPSA-N 441.532 1.990 30 10 IDEE Cn1cc([C@H](CO)NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1295847412 LJTKPFVRGCRVOX-OALUTQOASA-N 425.489 1.976 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)CC)CC1 1297605670 JSYIYQRWOJPZPB-PMERELPUSA-N 430.578 1.744 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CCOC2=O)C1 1300401765 NSIRVWUQVQMBQC-HNNXBMFYSA-N 434.518 1.339 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 1300434940 CZYJUDIJPNNHFY-UHFFFAOYSA-N 426.542 1.635 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300482277 DKQUYNPYOQEDKE-IPMKNSEASA-N 436.578 1.985 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300489616 QGUCCYGPERBNFL-FQEVSTJZSA-N 440.573 1.784 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300493497 VOXRVVCBTIHAQW-YLJYHZDGSA-N 437.635 1.610 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1300578832 HPSRORZCSOAAJU-FQEVSTJZSA-N 448.527 1.693 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1n[nH]c(C)n1 1300597415 HMRSGOFAWGSCCM-UHFFFAOYSA-N 426.912 1.990 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCC(=O)NC2CC2)CC1 1300718486 PVKPOKKVHILNEG-UHFFFAOYSA-N 438.532 1.871 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 1301552303 YYNWDJPOARJBTJ-HSZRJFAPSA-N 447.539 1.674 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301587101 MGFHKNXQOOYHQJ-SJLPKXTDSA-N 435.550 1.105 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1302442078 KYIAELDGSSIJIR-IBGZPJMESA-N 435.532 1.790 30 10 IDEE C[C@H]1C[C@@H](C)CN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1304924588 INGHKOMJFMUVIT-ZSYWTGECSA-N 429.569 1.716 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC[C@@H]1CNS(C)(=O)=O 1307977525 ZBEMZBHHHCUGCG-CABCVRRESA-N 426.564 1.269 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)nn1 1309602507 BFLKXPBCULMWRY-UHFFFAOYSA-N 429.296 1.882 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@H](C)O1 1315929127 BPMPFGJNACSADO-QFBILLFUSA-N 426.521 1.972 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CCO1 1315950008 CZDYORMGDLQFNW-LJQANCHMSA-N 427.505 1.885 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CCCCS2(=O)=O)c(C(=O)OCC)c1C 1349739089 JKIWQPVFVSFXRP-UHFFFAOYSA-N 444.531 1.940 30 10 IDEE C#CCN(c1nnc(C)n1CCCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1358956361 DWKNHHJGFAFUNU-LJQANCHMSA-N 432.546 1.829 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358973938 LCGLNUGYJMLKKD-KRWDZBQOSA-N 427.530 1.308 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1359000420 UYAYIUCXGDOJRN-INIZCTEOSA-N 427.534 1.582 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1 1359018115 FBLYZYQFFXSNDU-OAQYLSRUSA-N 443.577 1.449 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359033569 HCJXWJKPDHJQST-HXUWFJFHSA-N 436.560 1.967 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(COC)CCCCC2)CC1 1359038088 KIQFPCRQUFKWOP-UHFFFAOYSA-N 428.581 1.753 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2(O)CCOC2)CC1 1359039873 ZNLJUUSRMPDTNB-JOCHJYFZSA-N 443.573 1.486 30 10 IDEE C=CCCOCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359229570 MVDFWSCWRVBKCE-YYDVJCTNSA-N 447.580 1.968 30 10 IDEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1359811125 DVWNXJBUYPSQGX-QGZVFWFLSA-N 425.490 1.026 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc2c(c1)OCO2 1360665452 GMUDBASSABJMNN-CQSZACIVSA-N 446.533 1.795 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)C1 1448452795 JNIOAKPKQIFUNK-NSHDSACASA-N 431.294 1.987 30 10 IDEE Cn1cnnc1[C@@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1453826009 KMHLGPBJUSAJSM-IAGOWNOFSA-N 426.477 1.371 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1457001712 OOUAKMUPRZCIHN-OAQYLSRUSA-N 448.545 1.727 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1457933013 DRIUWXRPKYLWEV-UHFFFAOYSA-N 434.543 1.646 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)c(=O)n1CCO 1459234338 BHEVHKJFZJKIAX-UHFFFAOYSA-N 445.479 1.515 30 10 IDEE CCCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)nnn1-c1cccc(C(C)C)c1 1470360033 BADISGZGJIVVPL-UHFFFAOYSA-N 435.488 1.907 30 10 IDEE COC(=O)[C@]12CCC[C@H]1N(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)CC2 1473777118 IDDZRYONXIFWOJ-MZKRTTBSSA-N 428.508 1.952 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1502971155 AXSYNPVRSKVKSI-JROKQLJMSA-N 444.536 1.704 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1503708036 YZBSIXJFYKVEGE-MRXNPFEDSA-N 437.548 1.941 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1505129216 CZJONKHZXLQYBZ-UHFFFAOYSA-N 442.545 1.358 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)C1 1505314499 FFDQFOOIPSTPPF-MEDUHNTESA-N 429.428 1.262 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCOCC1 1507521944 SCDWJMIBOWNCMR-SFHVURJKSA-N 445.589 1.919 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1507626272 FCSHDVRQYJMGPU-MRXNPFEDSA-N 446.920 1.965 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1507632297 YMXBJIBFGMQLFJ-SFHVURJKSA-N 442.520 1.801 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1507689449 KJRYLEGHVVJMRP-HXUWFJFHSA-N 438.557 1.933 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507710116 JINSXVAASUIONR-UHFFFAOYSA-N 443.508 1.115 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1507763218 RNZRGSZCHGBHSK-OAQYLSRUSA-N 439.541 1.749 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)C1 1508126279 RFZDDDDEFHCCSZ-MSOLQXFVSA-N 445.545 1.109 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)CCO1 1508375628 KZQBLAFXQOAWTO-HXUWFJFHSA-N 426.521 1.973 30 10 IDEE CC(C)CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509340149 XENPIZMMDXCZFL-MOPGFXCFSA-N 429.569 1.859 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NC(C)C 1516601469 HCKJRUWJOIXKMO-UHFFFAOYSA-N 425.537 1.533 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1517628758 VCHJFIIAWIDSST-UHFFFAOYSA-N 448.549 1.201 30 10 IDEE COCCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C#N)o2)CC1=O 1519221055 ZNRDXBOTIPODOA-UHFFFAOYSA-N 434.500 1.985 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1CCOCC1 1519320492 PNKBFGYLOYZVMD-XLIONFOSSA-N 432.569 1.995 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCCC[C@H]4C3)n2CCOCCCO)cc1 1521111406 XNPORGWTOGSKNO-FQEVSTJZSA-N 440.548 1.802 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1527792856 DIAMKGDDUYYLDZ-UHFFFAOYSA-N 429.535 1.327 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1530374312 MMUSYRDWFRZUCU-CVEARBPZSA-N 429.336 1.873 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1539115625 FMVSTFPFWXFICJ-INIZCTEOSA-N 433.516 1.790 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1539154138 HFVZEVVQPRWRIT-FQEVSTJZSA-N 433.534 1.070 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1539222124 TURIMBPSZCLGPJ-FUHWJXTLSA-N 445.520 1.352 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539225814 PYZCXWVYMVQUFO-SFHVURJKSA-N 435.594 1.506 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccn(Cc2ccccc2)n1 1539230665 JWKODPCJPGASLP-UHFFFAOYSA-N 427.512 1.880 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(=O)CCC)cc2)CC1 1539445837 IFMRRJFXLPRNRY-HXUWFJFHSA-N 449.559 1.771 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OCCOC)CC1 1539453737 PSRDHVPQXWOVOQ-UHFFFAOYSA-N 447.543 1.488 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 1539721756 GETBBYMHAWZCKV-KRWDZBQOSA-N 427.509 1.039 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1540872116 DALNOQGOLNZAEO-UHFFFAOYSA-N 433.516 1.949 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1541158500 BULLTFVQDQOTPT-KRWDZBQOSA-N 443.577 1.604 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC[C@]2(CCOC2)O1 1541908484 OGUZSZKZFCPXHD-YYAJDYIMSA-N 440.570 1.355 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1541997403 DQYSJIZQBVZJMT-GOSISDBHSA-N 435.532 1.823 30 10 IDEE C=C(Br)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1542487059 BGAZBANCQUTPOE-UPJWGTAASA-N 437.356 1.681 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CCCCCO 1544581877 AUSMVKJZNISKCM-SFHVURJKSA-N 447.547 1.803 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCO[C@H](C)C1 1548169110 CICMGMKECNZRFH-AEFFLSMTSA-N 442.568 1.870 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CNC(C)=O)CC2)n1Cc1ccc(C#N)o1 1555743843 VGJGWGQBROTEKZ-PXNSSMCTSA-N 442.520 1.868 30 10 IDEE Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1S(=O)(=O)NCC#N 1557978225 QZEVKAWGOCXRPU-UHFFFAOYSA-N 441.488 1.770 30 10 IDEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1561926027 DGQTXWUQEHQMPP-FQEVSTJZSA-N 426.542 1.530 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 1561957202 UHYCJMGGGAMHKS-UHFFFAOYSA-N 429.336 1.954 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N[C@@H]3CCCN(O)C3=O)ccc2NC1=O 1569675599 BFYGTBFWFJZDCB-JKSUJKDBSA-N 432.477 1.575 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2cccn2)c1 1588158413 ADAVORDNTIULEA-UHFFFAOYSA-N 427.512 1.766 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1588210976 RDKDVPDAKWQBKU-UHFFFAOYSA-N 444.586 1.182 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1588876879 MFPYXBKYJNESQU-AZUAARDMSA-N 440.523 1.368 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589052967 BNBPLIZQCPGACB-AWEZNQCLSA-N 430.534 1.429 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1589494172 KNURKHFFOMXITI-HZMVEIRTSA-N 427.571 1.485 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1594807246 JIICGHZPXDQHSV-UHFFFAOYSA-N 449.519 1.148 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](COC)C1 1595530181 VUVGZAUFAPFQON-HNNXBMFYSA-N 447.565 1.013 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1595790842 RWAWWDFYURAWEL-GOSISDBHSA-N 449.573 1.318 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)s1 1607464666 LGHQHCSRKFYMID-JOCQHMNTSA-N 429.564 1.927 30 10 IDEE N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@@H](N3CCN(c4ccccc4)CC3)[C@@H]2O)c1 1616154460 RWVVXACOCYVAIY-ZQGJOIPISA-N 449.511 1.355 30 10 IDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1618751776 JEWTXACAJLICBZ-QFIPXVFZSA-N 442.520 1.497 30 10 IDEE C#Cc1cccc(N(C)C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1 1622729254 VZRHKJSWLYGAHW-QGZVFWFLSA-N 447.538 1.802 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C)CC1 1623499280 WJPVGNWJUQIITG-FQEVSTJZSA-N 428.533 1.454 30 10 IDEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(N)=O 1623847097 HTDCRXKAKORLGU-RTWAWAEBSA-N 437.496 1.822 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 1623850108 QOXSMMTVQBIWOC-UHFFFAOYSA-N 431.543 1.370 30 10 IDEE C=CCC[C@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1623969563 NVVQFJIJHSWAFH-CYBMUJFWSA-N 438.440 1.487 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)CC1 1627015355 PYORJCDZBBWGBI-FQEVSTJZSA-N 434.544 1.100 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1630034586 RPOBEWJBBKBUJK-UHFFFAOYSA-N 433.317 1.246 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)Cc2ccccc21 1631959455 LITQZNHWQUDNIE-INIZCTEOSA-N 439.472 1.693 30 10 IDEE COc1ccccc1[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccn1 1633902471 YVUDRBBBNWQCEV-PAXLWEDBSA-N 426.498 1.759 30 10 IDEE CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 1635665845 KJDDNUBUCKNRNW-IAGOWNOFSA-N 446.614 1.991 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 1635679566 FRADBFPAUXWRAG-WBVHZDCISA-N 429.868 1.063 30 10 IDEE Cc1nc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)nn1-c1n[nH]c(C(F)(F)F)n1 1636289019 NHRWIHBVZMOVSL-ZDUSSCGKSA-N 432.366 1.798 30 10 IDEE C#C[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1636623264 OQCRRLTZWPVAOV-YPBQGGFRSA-N 434.492 1.871 30 10 IDEE C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1638203268 LQYDOEBQEFZNPD-JONQDZQNSA-N 440.541 1.726 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CCO2)cc1 1639637736 FEZONXVPPQZVTG-LEWJYISDSA-N 426.517 1.171 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 1645683385 NTMWPOOKFNTJLM-PXARDIRTSA-N 432.546 1.254 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCO[C@]4(CCS(=O)(=O)C4)C3)c2C#N)C1 1646421145 WYSGPWDGFSZQIN-VBKZILBWSA-N 437.587 1.963 30 10 IDEE C[C@@H]1CS(=O)(=O)CCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1648399396 HDSWCALQGNMNFT-IAGOWNOFSA-N 448.589 1.865 30 10 IDEE CS(=O)(=O)C[C@H](O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1653049642 ADZYUGIHMHVWCZ-MRXNPFEDSA-N 447.538 1.424 30 10 IDEE CCCOc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(OCCCOC)c1 1653760668 ZIIBLABZMRSHAS-UHFFFAOYSA-N 442.472 1.722 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@H](O)c1cccc(C#N)c1 1654148817 LVSRYHLMIKRESQ-NRFANRHFSA-N 442.541 1.057 30 10 IDEE C#CC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCCC1 1665115164 BUMXVKQVWBQMDC-OAHLLOKOSA-N 425.532 1.220 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1689852111 AJARCOCUAFUSPO-BZSNNMDCSA-N 449.552 1.850 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1689966610 XCXGERATMOIPRO-HNNXBMFYSA-N 437.591 1.720 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689987833 CXZLOBVZHWUIGT-ROUUACIJSA-N 433.578 1.826 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1690077440 OODJCSYOBVJCNI-JTSKRJEESA-N 449.552 1.852 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C)C1=O 1690095388 PGUUUSCOGGXAOD-GOSISDBHSA-N 435.326 1.600 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(COC(C)(C)C)on2)CC1 1690124046 DKTAWAJWMCSQNH-QGZVFWFLSA-N 428.537 1.889 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690663270 RDENDALNRBNNFI-FQEVSTJZSA-N 447.543 1.862 30 10 IDEE CC(C)CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1692339408 NKMLGUFLLDVFQY-YGCDDZCOSA-N 441.536 1.771 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC=C(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1698144191 NSGUNAPQKHDDEM-IGGDJGDASA-N 430.509 1.685 30 10 IDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705539477 SDLICNBYDMIUIE-QHCPKHFHSA-N 444.580 1.088 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1705662106 QHBYMFFWKHZEHF-ZDUSSCGKSA-N 442.998 1.570 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1705843277 BEWVJMXMSWSSQV-IRXDYDNUSA-N 428.603 1.210 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705907566 QJHRYYBRLMJFIK-KRWDZBQOSA-N 429.569 1.013 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712251318 ZUKHFQOIDRKUIY-GFGLJSBJSA-N 444.536 1.561 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC 1722378114 ASMHAHOUJOKCBG-GDLZYMKVSA-N 432.575 1.080 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCc2nccn2C1 1722423030 XAQMNCKAAARSMW-CVDCTZTESA-N 442.564 1.864 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCOCC2CCOCC2)CC1 1722437568 GIGTVDJVLZIMJR-UHFFFAOYSA-N 427.553 1.267 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722617312 IRNQNKCYQKPVEB-SFHVURJKSA-N 445.593 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)[C@H](C)C1 1722693190 GHKAPXAMCVVLOA-MRXNPFEDSA-N 443.508 1.312 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1727791209 ARFXTEYOWHKWSZ-GOSISDBHSA-N 445.545 1.372 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1727814910 BBGSRXQOQKNZMK-YKHTYXQRSA-N 432.550 1.640 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1728685774 AQNMULQDOXOMAE-QGZVFWFLSA-N 448.549 1.018 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1729638672 YNEQTOYWFRIAQP-FCHUYYIVSA-N 442.520 1.794 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1730997769 FOYUIBCXJRFXEY-HZPDHXFCSA-N 437.472 1.864 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCN1CCN(Cc2ccccc2)CC1 1740545919 TXBGHUDZTCGMOY-FQEVSTJZSA-N 432.576 1.954 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1n[nH]c(C)n1 1740560477 JPEYHUQEWOSGKA-LJQANCHMSA-N 447.591 1.770 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1740642966 ASLZNOKLXNVBTH-IBGZPJMESA-N 444.539 1.918 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ncccc2C)n1 1740689117 PAWBNJHTMNKIEX-UHFFFAOYSA-N 443.515 1.970 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740712125 XQVJAYQOXTYRKO-INIZCTEOSA-N 449.602 1.790 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740786883 ROWOMXMACBXHKZ-OAQYLSRUSA-N 441.492 1.549 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1740794780 ICXHMGXMYJRSOO-KRWDZBQOSA-N 439.582 1.255 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740888494 TYEBPAICNAMHFH-FGTMMUONSA-N 425.599 1.692 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740952115 VIMHFYZWAJDUJD-JSGCOSHPSA-N 446.524 1.062 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740958664 SMYRITXKLQQRPZ-HNNXBMFYSA-N 447.540 1.025 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1740959795 FDRKWGODJDWJAQ-HOCLYGCPSA-N 443.504 1.155 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCNS(C)(=O)=O 1748656691 WBFJYQYFARPCHP-NSHDSACASA-N 444.330 1.854 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748811047 ANUFHJRFOKIWLV-RBUKOAKNSA-N 444.605 1.785 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1748926330 SXPUXXYBNWXHJT-ICSRJNTNSA-N 445.589 1.951 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1748986919 MGGNTOIXHFOJNC-UHFFFAOYSA-N 438.580 1.380 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(CC)noc2C)CC1 1749010135 NYDMCFBSADJYKX-KRWDZBQOSA-N 426.521 1.655 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749210833 PEXZHRVMJPWKLX-HUUCEWRRSA-N 428.449 1.632 30 10 IDEE C=C(Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1749246383 BFNFFIVCWWWXML-GOSISDBHSA-N 443.533 1.802 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)C1CCCCC1 1751227338 XOPCRQMMOUGAIC-DNVCBOLYSA-N 441.577 1.595 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)C(C)(C)C 1751930007 CYKDHFUPMCRTOZ-AWEZNQCLSA-N 432.554 1.177 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1752279608 RRZULQWFRGJMNS-ZDUSSCGKSA-N 439.501 1.449 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1760206117 RBYUXOGVMDPDLN-KRWDZBQOSA-N 433.559 1.102 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1760206256 UWPYWGXUDAWTQZ-LAUBAEHRSA-N 430.530 1.371 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)C)CC1 1760553387 SZBMMQXQQLVYRV-UHFFFAOYSA-N 447.561 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760557077 ZNFDGMUZJLPPTL-ROUUACIJSA-N 444.561 1.112 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1762572157 GINAXQANOPUIPB-UHFFFAOYSA-N 447.499 1.637 30 10 IDEE C[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1762890463 SXBGHWISYFOUGU-IGGDJGDASA-N 441.536 1.667 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1768539094 DFKGHIAARBTKSH-SFNQZPIRSA-N 447.586 1.741 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1769944599 VQBOMLBYJRXNEU-UHFFFAOYSA-N 449.519 1.087 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1771352865 QVKDFJQYZWANBT-LJQANCHMSA-N 443.529 1.699 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1771564816 WHGDLFBCIWROOK-UPTRSRDDSA-N 440.426 1.525 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1772567350 SNJBGTPKIXCMEF-QRVBRYPASA-N 432.569 1.021 30 10 IDEE CCOCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1772882732 LZHKDMSWVCAVBI-SIKLNZKXSA-N 432.569 1.922 30 10 IDEE COc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)ccc1Cl 1772888843 ACUZSKGXOLJRKU-OAHLLOKOSA-N 430.896 1.953 30 10 IDEE COc1ccc(Br)c(S(=O)(=O)NC(=NOCCC(=O)N(C)C)C2CC2)c1 1853466746 KHKDVBWWHALXIP-UHFFFAOYSA-N 448.339 1.954 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)ccc1F 1854589132 MCLFANQZHQQNGH-UHFFFAOYSA-N 430.461 1.853 30 10 IDEE CC[C@@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858651211 JRNGQLAMGXYORS-QGZVFWFLSA-N 444.469 1.339 30 10 IDEE N#Cc1ccccc1NC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCN2CCOCC2)C1=O 1863245690 GQEBOLUNVNXTCF-UHFFFAOYSA-N 447.451 1.991 30 10 IDEE COCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932193 WQVJHPHZOHRUCM-IBGZPJMESA-N 440.525 1.970 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873561127 GKFKAJSWARSJPB-IRXDYDNUSA-N 431.537 1.966 30 10 IDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)CNC(=O)c1ccc(Cl)cc1 1873710496 HLBVSLQHGIRASM-UHFFFAOYSA-N 448.932 1.851 30 10 IDEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(NCCNC(C)=O)ncnc21 1875230770 NDYMAYJMODAZLJ-UHFFFAOYSA-N 436.516 1.800 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O)C(=O)OC(C)(C)C 1984788667 OPLSCRJIXLRDPL-AWEZNQCLSA-N 425.482 1.389 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 2054371235 JBCAYRQYQUFMNH-CQSZACIVSA-N 438.388 1.852 30 10 IDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)nn1 2060623792 QUOUZANWKVFPAZ-OAHLLOKOSA-N 435.334 1.932 30 10 IDEE C=C[C@]1(CO)COCCN1C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2079209230 WLIUJKGMGPAFJI-MBSDFSHPSA-N 448.516 1.789 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085656155 FWDFFEHURJIACC-HNNXBMFYSA-N 435.330 1.984 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141670101 KQSYBMIBXMRGMD-HOCLYGCPSA-N 447.341 1.937 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCc1cc(C#CCO)cs1 2145936913 HCKDISXSOSWOIS-UHFFFAOYSA-N 446.550 1.978 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248401173 GDNUZZXIPOEORG-DGCLKSJQSA-N 441.359 1.333 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255624476 ZAKFGNPMFZDJBV-UKRRQHHQSA-N 434.346 1.847 30 10 IDEE Cc1nn(C)c(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255632380 MJFFFVSXQMXHHM-ZHACJKMWSA-N 434.346 1.838 30 10 IDEE CON(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2255645222 GGIUQIRCGXYAFJ-UHFFFAOYSA-N 434.302 1.399 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255708857 ONPJGVXAHHUAHX-CVEARBPZSA-N 435.330 1.678 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2255874283 TWPFVPOASREIFZ-UHFFFAOYSA-N 435.330 1.036 30 10 IDEE Cc1nc(NC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256615795 XDMKBEUSOAPVMK-OCCSQVGLSA-N 436.318 1.297 30 10 IDEE CN1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](CNC(=O)C(F)(F)F)C1 2266065618 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CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](F)C[C@@H](O)C3)cc2Cl)OC1(C)C 2282305295 WSBZBFCUBAWLKH-VHSXEESVSA-N 425.740 1.794 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CCC[C@H]2C2OCCO2)OC1(C)C 2282493330 VVNZMRJHRYTJJZ-HNNXBMFYSA-N 427.303 1.651 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NCCO)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297736427 ADHLLVLYTWRLEA-CDTLTISKSA-N 447.572 1.762 30 10 IDEE CC#CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)C(=O)OC(C)(C)C 2300539400 NQQORQNVLNIWEB-SJORKVTESA-N 439.553 1.981 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2315539392 WFHYYQOUVHZIHS-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 32272573 BBORAWUEIMGXSS-UHFFFAOYSA-N 432.322 1.899 30 10 IDEE O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#Cc1ccc(N2CCNC2=O)cc1 96351176 JPYWFPRFKZYIPU-UHFFFAOYSA-N 430.464 1.760 30 10 IDEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 110964530 DFVCVXIQSBEQLF-HXUWFJFHSA-N 432.484 1.800 30 10 IDEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4cccs4)CC3)nc2c1 248028798 XASYSMMLHAHKMA-UHFFFAOYSA-N 430.511 1.763 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CCC 447265517 HLJHSHAVUGXYRN-UHFFFAOYSA-N 430.480 1.889 30 10 IDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCCOc2ccc(C#N)cc2)CCCC1 469610712 GBMYYHHGOLRSQI-UHFFFAOYSA-N 432.502 1.949 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 481384702 VGQRWTJMUXWDCB-IBGZPJMESA-N 425.507 1.433 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(C[C@@H]2CCCO2)c1=O 505701017 UALSCIMGGJNCKD-KRWDZBQOSA-N 440.569 1.783 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN([C@H](C)C(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506641920 IGHLWDYFUCQGNI-WIYYLYMNSA-N 449.559 1.740 30 10 IDEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c(C)c1C 537301273 DOKAMRVJPLAFHQ-GOSISDBHSA-N 444.561 1.786 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=C)C)CC1 549646333 DWCSVUCYOLKLMF-UHFFFAOYSA-N 425.493 1.854 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 551083387 UTFVSAUDKVKHRN-UHFFFAOYSA-N 436.759 1.711 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1 551496465 QDEUZRZODILPTN-UHFFFAOYSA-N 425.420 1.996 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCCN3CCC4(CCCCC4)CC3)CC2)nc1 563986667 CMXORDGUAKJQPE-UHFFFAOYSA-N 438.576 1.764 30 10 IDEE Cc1cccc(N2CCN(CCCNC(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)c1 585722421 HHZXKBLNPWFBKG-UHFFFAOYSA-N 437.519 1.951 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3ccc(-n4cncn4)cc3)cc2C1=O 589913544 HWRASTFDXVDIBE-UHFFFAOYSA-N 430.424 1.418 30 10 IDEE CN1CCN(C(=O)c2ccccc2NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 603654561 CHHYXTOJVMTQQM-UHFFFAOYSA-N 433.516 1.695 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 642291879 HTQATLYUUMGFDG-UHFFFAOYSA-N 432.322 1.695 30 10 IDEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O)Nc1cnccn1 730716921 BUSWZVZDXCXRDP-HNNXBMFYSA-N 442.476 1.855 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n([C@H](C)c3ccccc3)c2=O)cn1 735068939 MNAAHNKXTNEMJW-MRXNPFEDSA-N 447.564 1.907 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 756647261 RPZORFMLGXFYFJ-JTQLQIEISA-N 438.287 1.208 30 10 IDEE C#CCN(C(=O)c1ccc(OC)cc1I)[C@H]1CCS(=O)(=O)C1 760428426 DWXWPUIRELCQJF-NSHDSACASA-N 433.267 1.562 30 10 IDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)CC1(C#N)CCC1 771081384 WWLAATPMQMGHDC-UHFFFAOYSA-N 449.348 1.915 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)ccc1F 773967166 KJMNHRBLDAFANE-HIFRSBDPSA-N 427.498 1.887 30 10 IDEE C#CCN(C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774264374 VXAYCOZJONRCNW-GXTWGEPZSA-N 427.885 1.416 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778823488 WGIMRGCMFFNEKJ-GOSISDBHSA-N 430.486 1.925 30 10 IDEE Cn1nnc(CN2C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccc(F)cc2)n1 782883275 GXMKUIDPZJWKPR-LLVKDONJSA-N 445.402 1.550 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)n1 788694807 WLNMWWOIJKHOQT-UHFFFAOYSA-N 425.532 1.147 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3OC)nc2)c(=O)n1C 793467950 HIWXVMUQJOHKLD-UHFFFAOYSA-N 449.536 1.332 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)c1ccnc(C(F)(F)F)c1 808489668 XDLQGNZXPBEHRA-UHFFFAOYSA-N 427.360 1.565 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)ccn2)cn1 814709277 XIZQZIVTZJYYIC-GOSISDBHSA-N 443.577 1.806 30 10 IDEE Cc1oc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1S(=O)(=O)N1CCCC1 916775753 GZQMYLMJTYNHGO-UHFFFAOYSA-N 437.499 1.504 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]2CCCO2)c1=O 917355828 FDMLWVJEQCTKRT-HNNXBMFYSA-N 428.558 1.557 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc(OC)c1OC 917793576 SYHXGTAQZZRPEH-UHFFFAOYSA-N 444.472 1.823 30 10 IDEE N#C[C@@]12CN(C(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1134274907 DMLZMSOSLWABJM-RXVVDRJESA-N 444.534 1.671 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cccc(C#N)n4)C3)[C@@H]2C1 1152888795 WMCRDSORIODKDV-OIISXLGYSA-N 427.461 1.608 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2ccc(Br)s2)CC1 1152967214 AJHJIHBZWSOMJG-UHFFFAOYSA-N 434.381 1.445 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)s1 1154653443 BPUFIKJVCNOBJC-ZDUSSCGKSA-N 429.564 1.738 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)cc1B1OC(C)(C)C(C)(C)O1 1159890562 JLRAHIUPSKNXBD-SFHVURJKSA-N 426.326 1.855 30 10 IDEE C#CCN(C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CSC1 1166132861 VNSFPCNPGHFGQC-UHFFFAOYSA-N 432.571 1.646 30 10 IDEE COC(=O)[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1198421306 GRWSCXUBDCKBOT-DOMZBBRYSA-N 439.559 1.345 30 10 IDEE C=CCC1(O)CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1248619762 DTYAZEGNBHGKHC-INIZCTEOSA-N 445.582 1.523 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)F)c1 1286311245 FSCNLWOENXQYGC-MRXNPFEDSA-N 446.458 1.567 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286392642 MLDZWPXEVGMUJY-SFHVURJKSA-N 444.557 1.923 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1286393235 QDGAEKFPAIIZSU-LJQANCHMSA-N 441.557 1.944 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286415095 IDKKLMRCIFENTQ-SFHVURJKSA-N 440.548 1.873 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286440207 PNTZDNISCBTALF-MRXNPFEDSA-N 447.561 1.703 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H](C)c2ccccc2)CC1 1286471346 JEJMKWUFJNOSJY-OALUTQOASA-N 444.605 1.837 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)C 1286563070 NZTMNBZEQDKODH-BWPNAZKDSA-N 435.569 1.944 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@@]1(OCC)CCOC1 1286613833 GOSCCADCWPNCTK-DYESRHJHSA-N 431.541 1.993 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1286779513 UTQJQQALJWGAFR-LJQANCHMSA-N 438.532 1.612 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1ccccc1 1286788186 RTBZJDTUSOPHQA-AEFFLSMTSA-N 431.562 1.722 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286792831 JQDKBXKYUXEGGS-OAGGEKHMSA-N 431.541 1.947 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)O2)[C@@H]1C 1288969543 RQYGRYYWQSCKDY-DVVQWOTISA-N 440.500 1.852 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCC(C)(C)O 1291195737 XEBKMPYTHQPLHW-DOTOQJQBSA-N 426.525 1.667 30 10 IDEE COC(=O)CN(CC#N)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1293845370 HTJJXNOPMBIHSO-INIZCTEOSA-N 433.461 1.538 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2)CCO1 1299137476 HQKGDHIDLLSODY-SFHVURJKSA-N 433.472 1.220 30 10 IDEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCC(=O)N2)cc(OC)c1OC 1299838261 ZOYIYVKAMAUQFF-UKRRQHHQSA-N 428.493 1.988 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1300537700 IVNSBEUDPZQHJD-GOSISDBHSA-N 438.553 1.993 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCN(C)C1 1300574550 CMTXWNOVVBJMOG-XMMPIXPASA-N 429.528 1.660 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCS(=O)(=O)C(F)(F)F)C1 1300653647 OXMDFJPVAGQYPP-UHFFFAOYSA-N 440.241 1.808 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(CCC)C2)CC1 1300719728 NXDQFMPXOFLNIL-SFHVURJKSA-N 436.564 1.433 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1300756241 JHJJMTRPVJOPKG-OAHLLOKOSA-N 446.606 1.472 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)CC1 1300862688 CFNVBQKKHMARJU-PMACEKPBSA-N 446.596 1.654 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOCC)CC1 1300882745 XGLRKOUFHVOQAV-AZUAARDMSA-N 427.553 1.875 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300948891 HANWORJQMHCUHT-NZSAHSFTSA-N 429.569 1.184 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300983411 YUPXWJCYWFQBRO-INIZCTEOSA-N 437.508 1.465 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300983470 JCARTSAVPIJEFJ-GOSISDBHSA-N 449.581 1.276 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1301297671 SLILPIJLERNEFJ-WMZOPIPTSA-N 435.550 1.701 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1nccs1 1301499652 CXVXICQJPJQUKE-ZIAGYGMSSA-N 438.579 1.179 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1303483447 JHARCDJEXAQSPK-WUKBZCGHSA-N 444.536 1.691 30 10 IDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1303900221 NPTUIESVBKNNQE-OAHLLOKOSA-N 429.502 1.626 30 10 IDEE N#Cc1ccc(C2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)nc1 1307956842 GGQAYRDIBDUCIK-UHFFFAOYSA-N 427.530 1.139 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)c1 1309505430 FJXHZXGBEPVDTC-NDEPHWFRSA-N 442.559 1.067 30 10 IDEE Cc1nnc(N2CCN(C(=O)c3c(C)oc(-n4cccc4)c3C#N)CC2)c(C(N)=O)c1C 1326710308 INQAAVNKMDGMJT-UHFFFAOYSA-N 433.472 1.719 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ncccc2S(C)(=O)=O)c1 1357485193 ZEBPASDQJAMIKL-LTGZKZEYSA-N 436.515 1.550 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@H]1CC 1358927296 TWLJKCJYBPJSJN-MRXNPFEDSA-N 429.550 1.366 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)CCC)CC1 1359032650 XBCPXAAKCADFQU-JOCHJYFZSA-N 435.536 1.227 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnn(C)c2C)CC1 1359044511 ICAIFXCBJCAKBG-SFHVURJKSA-N 425.537 1.228 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1359048614 WUDLAQJIJYRLFU-UHFFFAOYSA-N 431.541 1.643 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1359068882 RQLOLLLLKONDBL-OAQYLSRUSA-N 439.545 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1359335614 QACYMNJCUOICSE-QGZVFWFLSA-N 448.545 1.766 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCSCC(F)(F)F 1360684802 QWVYZEIZXQUMDV-GXFFZTMASA-N 444.480 1.626 30 10 IDEE COc1cc([C@H](C#N)NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)cc(OC)c1OC 1435803437 NMIXXEPZLHIHGY-DLVCFXQMSA-N 440.456 1.387 30 10 IDEE N#C[C@]12CN(C(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1439796531 MTPQHIHVHRSZSA-MEDUHNTESA-N 425.392 1.296 30 10 IDEE CN1CCN(CCCOc2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)CC1 1452831353 GDMZCSYUQQEFDO-UHFFFAOYSA-N 435.528 1.943 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1456502633 CLLJVYZWUWEPBD-UHFFFAOYSA-N 436.486 1.006 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl)C(=O)OC 1463853746 IEZONDGMKVTUMW-SSDOTTSWSA-N 437.655 1.793 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1)c1cc[nH]n1 1465328281 FMCBCOZVCLZHFK-KRWDZBQOSA-N 442.520 1.020 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)n1 1467714540 BQUHKODOHKKSBV-XBVQOTNRSA-N 436.434 1.850 30 10 IDEE C#CC1CCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1477966992 HJMNWFWUFCDLHG-UHFFFAOYSA-N 435.546 1.912 30 10 IDEE CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1501196900 RUVICRHMNCSNLZ-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CN(Cc1ccoc1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503506584 SIFRZSGYMDKJSA-RJCBAWPRSA-N 426.477 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1507630287 WBVDMHBNTIYCOE-MRXNPFEDSA-N 435.575 1.082 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1507654001 ULFBWLDRXKBXTK-CQSZACIVSA-N 433.456 1.026 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507659301 ZPJYOOJREMUELP-BGYRXZFFSA-N 426.565 1.476 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1507668348 YJNPPPMRIAZOEI-GOSISDBHSA-N 446.511 1.460 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@](=O)CC)CC1 1507730925 ZFZFQZRRHCOBIS-HZAQMHFWSA-N 429.546 1.314 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507752305 YEUSAVRNZPURTJ-OALUTQOASA-N 446.621 1.281 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1507761818 KZMFRCGYHJEHNO-XMMPIXPASA-N 431.544 1.973 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507833338 LXCMPWSVRBJHHL-UHFFFAOYSA-N 428.541 1.290 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC 1507972961 NKEHJCMMBQTENZ-UHFFFAOYSA-N 434.566 1.590 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC23CCOCC3)C1 1508116419 RTBJYQTXBMEUIO-IXDOHACOSA-N 439.582 1.486 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1508168690 YGNQHDZXBQGQCF-LJQANCHMSA-N 448.637 1.868 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC(C)C 1509685170 RPVCOIQYLHLYQE-UHFFFAOYSA-N 440.552 1.825 30 10 IDEE Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1511781282 YIDIBPRFVJALLQ-DQRAZIAOSA-N 446.515 1.994 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1513758690 GVMWQZJJGGXMAI-QGZVFWFLSA-N 437.552 1.775 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CCO1 1514374604 AGKAHUKPTLVTEE-GOSISDBHSA-N 432.550 1.761 30 10 IDEE COCCN(C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1519112673 ANIRTJGIJFHSME-GUDVDZBRSA-N 434.585 1.894 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3ncc(I)n3c2)CC1 1525698625 KNMJCFRHUHITHM-UHFFFAOYSA-N 438.225 1.858 30 10 IDEE C#CCN(C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1528599670 BZPCJIYRRRPVAR-IPMKNSEASA-N 434.514 1.061 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@@H](C)C1 1539171596 LNBXREVAMAIXTA-ROUUACIJSA-N 449.559 1.761 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1539222730 XFFOQPAISQOMRH-FHWLQOOXSA-N 435.594 1.283 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1539803070 DJELBDZFXRFLEK-INIZCTEOSA-N 425.942 2.000 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1540064229 ORAGJCOZGGMYQC-HNNXBMFYSA-N 442.545 1.782 30 10 IDEE Cn1nc(I)cc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1540623847 BBPQWFNYMXYYHT-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1540714055 NGSHYDMYGBZSQM-IBGZPJMESA-N 438.532 1.648 30 10 IDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1540912742 BRUAHJSLQPFWMY-CYBMUJFWSA-N 425.518 1.825 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1543481646 AYVOWVXRYPOEFS-LBPRGKRZSA-N 435.410 1.162 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)c1 1544088155 SWVMAWIWSZPMOO-QGZVFWFLSA-N 427.544 1.149 30 10 IDEE C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1544534934 NNCMSWWNQXJYPD-FCGDIQPGSA-N 432.569 1.789 30 10 IDEE C=CCc1ccc(OCC(=O)N2[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]2C)c(OC)c1 1556930475 QMKGVVZVWDUBSE-GDBMZVCRSA-N 436.530 1.772 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 1562843116 PIGCWUDJJKOUBV-UHFFFAOYSA-N 440.831 1.856 30 10 IDEE COC(=O)[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1565594689 LQNVCNSHQNVATF-MSOLQXFVSA-N 429.473 1.793 30 10 IDEE C#CCN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC)C(=O)OC(C)(C)C 1568787768 PUUFPNUYPCCUGW-UHFFFAOYSA-N 440.518 1.924 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)s1 1587727990 FJOGFZXWYVDPDB-UHFFFAOYSA-N 425.576 1.616 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1587765665 IYBNBMNSTSYDQL-UWJYYQICSA-N 446.577 1.469 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588053392 DQUMKTCVSBKSGN-ZWKOTPCHSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1588064787 PEZYVNRUUBDFFG-KRWDZBQOSA-N 435.575 1.083 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1CC 1588079004 PJRKUBMUWPLZBZ-UHFFFAOYSA-N 430.516 1.905 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1588181329 RKAUXRMBWYDJQH-IRXDYDNUSA-N 443.529 1.191 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(F)c2Br)CC1 1588199258 LDJGFGDZJOQDEW-UHFFFAOYSA-N 438.706 1.467 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@@H]1C 1588595153 NLEVKWAQWJJSRF-FUHWJXTLSA-N 431.562 1.937 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1588885696 YJRRUHUZMXOIPX-MJGOQNOKSA-N 442.564 1.031 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1589135125 TUYUSMZCJZLTHG-YADHBBJMSA-N 446.621 1.616 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(c2cncc3ncnn23)CC1 1589449466 FYZVUYXJFOQIQD-UHFFFAOYSA-N 448.329 1.488 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(=O)NC(C)C 1593865144 AVNYVSKNUOEVIX-UHFFFAOYSA-N 439.973 1.952 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1594962628 MZJLELGLPDVCJL-QYWGDWMGSA-N 437.541 1.749 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1595297793 XRDPIGCAYIEIQE-OAHLLOKOSA-N 425.555 1.225 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1595804931 IRTSZZVIJCCHFK-FQEVSTJZSA-N 435.525 1.311 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1 1595805362 OBQLZPXZQLPSGN-UHFFFAOYSA-N 449.552 1.701 30 10 IDEE COc1ccc(-c2nn(CC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2C=O)cc1 1597246760 YNUZUVXCODZORB-UHFFFAOYSA-N 430.468 1.987 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1611292077 JGQRAKBFSAPVGG-DOTOQJQBSA-N 433.534 1.892 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1612652851 CRZPTBUPLPDUFE-SFHVURJKSA-N 437.548 1.596 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@H]1CCOC1 1616923050 VSWUSKMPNJDSRS-IRXDYDNUSA-N 426.525 1.618 30 10 IDEE CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1617620112 RSNIKAVMVFULIE-HXUWFJFHSA-N 449.559 1.819 30 10 IDEE CN1CCC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CC2)C1=O 1618473147 VJFNEMSBCOWUHO-UHFFFAOYSA-N 438.532 1.664 30 10 IDEE CS(=O)(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CCC1 1620148871 IAVSIEAFCRILJZ-UHFFFAOYSA-N 434.566 1.611 30 10 IDEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1624919390 GVFHTXHUZBRJKA-UHFFFAOYSA-N 444.517 1.365 30 10 IDEE COc1ccc(-c2nn(CC(=O)N(CCC#N)CCN3CCOCC3)cc2C=O)cc1 1625977436 XQYNBVNTZRWADJ-UHFFFAOYSA-N 425.489 1.446 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@](CC)(C(=O)OC)c2ccccc2)c1 1629770469 QVWGRAWMWZLFKL-QFIPXVFZSA-N 428.510 1.849 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(Br)c(Br)[nH]2)c(=O)nc1O 1630034647 GBFAJXGIWLUCFW-UHFFFAOYSA-N 431.044 1.104 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 1630379799 YOXHZUDQZJZPIB-CGTJXYLNSA-N 428.489 1.542 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3CC[C@@H](c4ccccc4)NC3=O)C2=O)cc1 1634584327 LEXXIKDIQHHQRZ-LEWJYISDSA-N 431.496 1.932 30 10 IDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)cn1 1634631997 WYKYLHSADCAVDK-UHFFFAOYSA-N 440.481 1.961 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1OC 1634782214 GFVHJYJTOKMDNO-QRBZPYHOSA-N 434.558 1.995 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)n1 1635721211 HMYLZEDBVWIEQM-JTSKRJEESA-N 434.537 1.954 30 10 IDEE C#C[C@H](CO)NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1636623262 OQCRRLTZWPVAOV-LEHBWIKQSA-N 434.492 1.871 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)ccc1F 1637029561 CVURVKCGLDWBKC-FQEVSTJZSA-N 433.461 1.250 30 10 IDEE C#CCn1cc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cn1 1640012847 OCGMLUPJEVOXOI-KRWDZBQOSA-N 436.921 1.019 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C2)c1 1640426414 NRPUXYDIDNKAKK-UONOGXRCSA-N 434.436 1.965 30 10 IDEE CC(C)(NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1cccc(C#N)c1 1641319834 SZCYKPDWBHBJNY-OAHLLOKOSA-N 426.498 1.610 30 10 IDEE N#Cc1cnn2c(O)cc(CN3CCNC(=O)[C@H]3c3ccccc3Br)nc12 1642607490 DEIZAHFIYHGEAS-MRXNPFEDSA-N 427.262 1.742 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1 1643370060 PFNNPLDYVHKVSK-UHFFFAOYSA-N 443.554 1.621 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)CC1 1643372488 NSMPOWMETLCIIE-INIZCTEOSA-N 447.586 1.125 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCCCC2CCCCC2)c1=O 1644133836 OMONKHUHRCIQHN-UHFFFAOYSA-N 432.521 1.700 30 10 IDEE N#CC[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 1645935535 ZZALUKNLLQJBHO-WCFLWFBJSA-N 425.816 1.425 30 10 IDEE C[C@](CO)(NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc([N+](=O)[O-])c1 1648017080 HWHSXCIUYNSPHF-GHTZIAJQSA-N 443.529 1.862 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CCO2)cc1 1652920301 YLFRNAZQKUUHTG-MOPGFXCFSA-N 440.887 1.786 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1 1664193965 KGIIFMPPFJPRNM-UHFFFAOYSA-N 425.507 1.825 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1672511495 LLWHUERUTFWOSN-UHFFFAOYSA-N 443.953 1.913 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Cl)cc(Br)c2)CC1 1673706405 OUCKXHKQLHNUGF-UHFFFAOYSA-N 449.758 1.397 30 10 IDEE CC(C)(C)OC(=O)C1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 1683543010 LVCLKPDXZINWGE-UHFFFAOYSA-N 429.521 1.923 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689841647 LGPVEDJEHVDTGU-DLBZAZTESA-N 441.532 1.915 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1689852948 NAEMDNWDCVPOEI-JKSUJKDBSA-N 439.582 1.895 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1689901857 QRFFULQAJFRIBR-UHFFFAOYSA-N 429.550 1.535 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689932167 SBIVXOKHSIEAAV-XLIONFOSSA-N 440.525 1.831 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1689985719 AHBLCBDTBZVGBT-QGZVFWFLSA-N 425.518 1.232 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1690113210 CRELKBUXOLLEGF-URXFXBBRSA-N 444.624 1.807 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1690250511 ILALCXJEJVPIOR-FGSXEWAUSA-N 444.580 1.877 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1690251344 SRTKBZCWUUKYTL-XMSQKQJNSA-N 444.580 1.734 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)COCCO2)C1 1690687437 BJXXIKJPEVKLBO-BVYCBKJFSA-N 436.553 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1690723793 BEEZNEXXOTZFNY-PXNSSMCTSA-N 447.492 1.833 30 10 IDEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690746610 DZSQBOMCNWYVAF-MSOLQXFVSA-N 445.545 1.661 30 10 IDEE CC(C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691891547 DEVLICXICSBGNO-YXNALHSASA-N 428.415 1.695 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C 1693831136 GYTAQQHCNBUEMX-HOTGVXAUSA-N 432.550 1.712 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)CCO1 1698493113 IVQXJZWOEULGHR-NSHDSACASA-N 429.790 1.401 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705587735 HBMKCDPYTCGSET-WMZHIEFXSA-N 425.533 1.705 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705611277 WSYXQLHRORLUHO-SFHVURJKSA-N 432.488 1.579 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1705623426 RFDZIYMVPHRNDS-NRFANRHFSA-N 448.545 1.240 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705663501 KECPCJAPMUYDAV-INIZCTEOSA-N 439.632 1.815 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705708655 FPARXNXTGXYARS-WDSOQIARSA-N 446.552 1.562 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1[C@@]1(OCC)CCOC1 1705908066 HCRAORSDNWRQLP-HTAPYJJXSA-N 442.520 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1705938764 ISTUMSUKMMMARS-FXAWDEMLSA-N 442.582 1.392 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1706159031 BWISXVLQPKZDFG-BRWVUGGUSA-N 432.525 1.910 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cnc2c(Cl)cnn2c1 1706625527 NYMNSHYMGLKUPF-CQSZACIVSA-N 443.899 1.084 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1712398692 SVUFEAUVDOLBIW-SJLPKXTDSA-N 429.477 1.125 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722322597 VCLKMEVKAXNGHP-UHFFFAOYSA-N 426.481 1.874 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722363279 ZYRCMROCYZDHKN-AWEZNQCLSA-N 431.547 1.119 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(OCCOC)CCOCC2)CC1 1722435139 HHVNCTBNXUSLAT-UHFFFAOYSA-N 440.548 1.308 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1722518000 RPZHHVHVPJPEDJ-ZWOKBUDYSA-N 441.598 1.565 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1722607401 ATZKTZSROLDJJZ-MRXNPFEDSA-N 438.540 1.535 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1722694752 GVSGBOKDKNFVIW-UHFFFAOYSA-N 442.520 1.323 30 10 IDEE CN(C[C@H]1CCCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1729473219 MENIGNKWNDZUOI-MRXNPFEDSA-N 432.550 1.851 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1740616987 JZXSTCZSOMHLLF-NVXWUHKLSA-N 447.561 1.879 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1740626237 KKUUNTVRSCFXJC-HZPDHXFCSA-N 447.561 1.743 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1740661295 YAMYLOIWSGWAAX-HDICACEKSA-N 438.536 1.803 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCN(C3CC3)C2)CC1 1740690434 USOPIVXQMCTDRS-SFHVURJKSA-N 427.597 1.436 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1740693064 SMCGCJAQCGTJBX-CVDCTZTESA-N 446.596 1.379 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(=O)NC(C)C)CC1 1740698671 JRSMTQMPZVSBNA-UHFFFAOYSA-N 438.576 1.742 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[S@@](=O)C(C)(C)C)CC1 1740704740 SXRJPJKFCPKFGF-WJOKGBTCSA-N 443.577 1.248 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740717819 AXQLUMWXMOZEIW-DOTOQJQBSA-N 431.566 1.723 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740763306 JLLFNIHXFWGLSI-JQVVWYNYSA-N 444.580 1.686 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(C)C2CC2)CC1 1740825506 PCSRRVHUJOEDNP-AEFFLSMTSA-N 438.598 1.250 30 10 IDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740947078 NSZRBHXXWBXHOV-SJORKVTESA-N 425.555 1.337 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCc2c(ccnc2O)C1 1740962303 YVCIHTHINXBJFP-UHFFFAOYSA-N 434.500 1.843 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740986690 DZQRZINLMPBLEL-KRWDZBQOSA-N 443.577 1.986 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1748751561 IVVMYCWWBNVEIS-HBMCJLEFSA-N 442.608 1.822 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCN2CCCO)CC1 1749015323 CUCUBNUXGWRBIF-HXUWFJFHSA-N 428.581 1.043 30 10 IDEE C=CCCOCCn1c(N2CCN(c3cncc4ncnn34)CC2)nnc1C(C)(C)C 1749460658 DXWIKRZTKIRCLS-UHFFFAOYSA-N 425.541 1.933 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@H](C)C1 1749488959 PPWLSCMCUYVBFR-KSZLIROESA-N 440.614 1.354 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1749489543 YFQDLDKJKNUVCI-INIZCTEOSA-N 432.550 1.944 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1749629718 AULLTGUFXUFWBZ-KRWDZBQOSA-N 439.488 1.638 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCc2ccccc2)CC1 1749650157 LPLAEVHUXSIGMF-UHFFFAOYSA-N 439.564 1.083 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@H](C)C1 1749721556 NLLYEDIWLCLTOJ-GJZGRUSLSA-N 427.571 1.411 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCS(=O)(=O)C1 1752728498 ITYBFKWXRIFCPK-UONOGXRCSA-N 430.534 1.761 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760145818 VXEHBTXCUANXMS-HZPDHXFCSA-N 438.598 1.433 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccco1 1760204727 AFTNZVLGFYJJPD-UHFFFAOYSA-N 427.468 1.612 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC(C)C 1760208220 MXQOBYVSMHNLJS-QZTJIDSGSA-N 435.594 1.597 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CC(C)(C)C2)CC1 1760269824 PSFISNSISUHWCU-SFHVURJKSA-N 447.605 1.582 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1760505184 NONZUEKKNDUUSF-GOSISDBHSA-N 447.561 1.826 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](COC)C1 1760515975 UFOKYKBROJNLOU-KRWDZBQOSA-N 437.504 1.489 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760525438 GDEQCZLDQOXXKC-QWHCGFSZSA-N 440.595 1.194 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760540485 JJZKWVWYQJXDLT-RDJZCZTQSA-N 440.504 1.723 30 10 IDEE CCOC1CC(O)(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@]2(OCC)CCOC2)C1 1767699233 AGMJBRBQGIVAQK-DZPQHKDMSA-N 433.553 1.990 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1768903393 LEKSETCLJGGIQF-UHFFFAOYSA-N 428.522 1.369 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1769273947 YUQRPIQBJQUORK-FXAWDEMLSA-N 433.509 1.816 30 10 IDEE COCCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1769812344 DRJXEQWTTFEBNR-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE CSCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770570204 ADMTWQDPTKUIRY-KRWDZBQOSA-N 440.577 1.966 30 10 IDEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)CC1 1771534130 OHLIFROSVASKPC-UHFFFAOYSA-N 431.302 1.852 30 10 IDEE COc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCOCC1 1772790874 INESVVHAMHTAJY-UHFFFAOYSA-N 446.437 1.084 30 10 IDEE COC(=O)c1sc2[nH]c(C)nc(=O)c2c1CC(=O)ON1C(=O)c2ccccc2C1=O 1772791799 DTRDIVNYOBVPBK-UHFFFAOYSA-N 427.394 1.377 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)n1C 1853408121 YPHMDIKSYZGXRR-KRWDZBQOSA-N 436.516 1.934 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1S(=O)(=O)c1cccnc1 1854996776 UABLUALUPAXNTI-CYBMUJFWSA-N 432.889 1.863 30 10 IDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1855423280 BEYHTFBBXPVEHD-HKUYNNGSSA-N 437.606 1.996 30 10 IDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@@H](COC(F)F)C3)ccc21 1855568742 WLUFGMPUNQZAOO-GFCCVEGCSA-N 427.429 1.656 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)CC1=O 1856905348 VWJMMVRDNDUEFF-ZIAGYGMSSA-N 428.894 1.531 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1867437092 ASHQAFFSLWRKET-UXHICEINSA-N 448.479 1.471 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868608401 PWXHOEGGUBFNQK-FQEVSTJZSA-N 440.544 1.943 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868743121 CFSRCGUMGYMPAB-IBGZPJMESA-N 435.546 1.904 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874337882 PIAFHNHCNDCLRO-NXSNIQIJSA-N 433.490 1.561 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCCN3CCCC3)ncnc21 1875231055 XXICSTCKICSOIC-UHFFFAOYSA-N 430.553 1.332 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 1892090573 HRLZFKKRMJZUHL-SFTDATJTSA-N 448.552 1.845 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900453340 DPOKHEZJSJCZCU-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(C)F 2248401693 MMUNUFKNFRMMFE-SNVBAGLBSA-N 444.338 1.839 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2248404100 ILYUDTHOCDSBGR-IBGZPJMESA-N 438.359 1.891 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)[nH]n2)OC1(C)C 2255628937 OUABEWLNBHTERL-NSHDSACASA-N 430.236 1.240 30 10 IDEE CCC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2255874086 RAZFJARSAGXWTR-ZDUSSCGKSA-N 437.350 1.538 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267124089 HKDPBXHAUCLRDR-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)n1 2267189300 YQTCUFCRRGZJKG-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE Cn1cc(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267196198 OETJUUNONSEIGB-JOCHJYFZSA-N 446.357 1.945 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267601414 VHJMVYUYODRGJE-WBVHZDCISA-N 449.357 1.688 30 10 IDEE Cc1nc(NC(=O)CN(C)CCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268722570 CURRQFAUANYMKG-UHFFFAOYSA-N 449.361 1.479 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2272632005 OBPHOJRGZLYZFV-RCDICMHDSA-N 446.357 1.706 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cn(C)c3ccccc23)CC1=O 2329013178 RJYJSOURLSMEQH-AWEZNQCLSA-N 439.545 1.954 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334262483 TXJJBNBSRVPASN-MGPQQGTHSA-N 447.345 1.242 30 10 IDEE Cc1c(C(=O)N[C@@H](CCO)COCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2343506579 FXZWKRHRWMOOER-SFHVURJKSA-N 443.353 1.725 30 10 IDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20806340 IUWMUAZTOBKACK-DJKKODMXSA-N 428.434 1.783 30 10 IDEE C=CCn1c(CNc2ccc(C)cc2)nnc1Sc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 105158341 NWGQDZSKHSZGNY-UHFFFAOYSA-N 438.517 1.810 30 10 IDEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 433321978 YTNONHZRAAUMEH-LJQANCHMSA-N 444.469 1.687 30 10 IDEE Cc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 460283800 ULJAHBRJLAUYGP-UHFFFAOYSA-N 429.498 1.696 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 460948479 WQSMWZLFLCLPHN-CABCVRRESA-N 434.570 1.775 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1C[C@@H]1CCCO1 471190936 LMGAJGOZJWEAIB-KRWDZBQOSA-N 429.542 1.664 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)c1C#N 471708942 JNNXTGHEKVGIRM-CQSZACIVSA-N 428.443 1.580 30 10 IDEE COc1cnccc1N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 483197180 OYAFBCKFVQJCPK-LJQANCHMSA-N 440.573 1.683 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@H]1CCCO1 486843119 QXORYQYJLRWJSA-CYBMUJFWSA-N 449.454 1.311 30 10 IDEE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)cc1 503646485 ZOLQVODCDSSRSX-UHFFFAOYSA-N 442.497 1.694 30 10 IDEE C[C@H](Sc1nnnn1C1CC1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 503673264 UKFGVCQTOOIBKL-XHDPSFHLSA-N 429.531 1.900 30 10 IDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508465972 RTWVIOUEFVGLDZ-UHFFFAOYSA-N 426.521 1.259 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 515664411 ZRDWLAIPZTZCIV-UHFFFAOYSA-N 442.500 1.561 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3csc(C)n3)c2=O)cn1 523181122 XNRFPTWSRXYQDE-UHFFFAOYSA-N 425.539 1.753 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 535138268 URNOALFUXJJVDU-CQSZACIVSA-N 447.919 1.687 30 10 IDEE CCCCn1c(=O)nc(O)c2c1nc(CN1CCN(c3cccc(C#N)n3)CC1)n2CC 544877965 ZEHQMIAATXAEGN-UHFFFAOYSA-N 436.520 1.707 30 10 IDEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN(c2nccn(C)c2=O)CC1 558989427 SXNJUWLPGZNWCG-UHFFFAOYSA-N 439.495 1.993 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(CS(N)(=O)=O)cc2)cc1 609911490 KWKVDIGTUFHOBK-QGZVFWFLSA-N 430.511 1.501 30 10 IDEE CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cn1 610184555 USEWGLQKIVHAJG-UHFFFAOYSA-N 433.472 1.872 30 10 IDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CC1 611091120 IKANJHLSRAYTRD-KRWDZBQOSA-N 430.574 1.632 30 10 IDEE N#C[C@H]1CN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CCN1C1CC1 732648859 KCCUGVFBQZDWFC-HNNXBMFYSA-N 448.453 1.558 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCN(Cc3nccn3C)CC2)c1 749505810 YUWDREFTPWCBOQ-UHFFFAOYSA-N 449.555 1.505 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(c2ccccc2C#N)CC1 755215122 QHLXWZVOTXBURY-IBGZPJMESA-N 441.532 1.723 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1)c1ccccc1 763434611 JQMMVEHUBLYLOK-LJQANCHMSA-N 448.548 1.593 30 10 IDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n(-c2ccc(Cl)cc2)n1 768085145 DQHGBZADPJODAD-ZCXUNETKSA-N 442.863 1.415 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCS(=O)(=O)C1 774201552 RASIPKJRFBVCFT-WBVHZDCISA-N 440.363 1.860 30 10 IDEE C[C@@H](c1ncn(C)n1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 780310816 AKHGVPLDUFBQSZ-XJKSGUPXSA-N 447.540 1.715 30 10 IDEE COc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782565200 LCMQFOJOMCLTTL-UHFFFAOYSA-N 442.298 1.430 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H](c2cccnc2)C1 800167270 FMVNYNFTFLDERO-IRXDYDNUSA-N 437.522 1.145 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N([C@H]2C[C@@H]2C(F)F)C1=O 807937220 YMPHRFDBLHRLRG-LVNNCPQGSA-N 439.532 1.646 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCCCC2=O)cc1 919766453 BZJLNKBXWJDDEJ-UHFFFAOYSA-N 440.525 1.949 30 10 IDEE Cc1cc(=O)nc(-c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc2)[nH]1 920767345 BROMHYIAIKMTNI-UHFFFAOYSA-N 437.481 1.813 30 10 IDEE Cc1cccc(NC(=O)CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)c1 1084206297 SIPCBWKQXPOQJP-UHFFFAOYSA-N 443.537 1.283 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cn1 1084298211 YASPCOSESCGSCF-CQSZACIVSA-N 425.522 1.790 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)nn1 1131220394 MSDXIKLONOVNGS-UHFFFAOYSA-N 447.540 1.285 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CC1 1136659262 YJGCAVOOCPLQMW-UHFFFAOYSA-N 446.592 1.794 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CCO2)C1 1160315937 TTWWZRLDUOJHSA-APOCOGJHSA-N 434.493 1.141 30 10 IDEE C[C@]1([C@@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C2)COC(=O)N1 1176242883 HXXDRWBMNOPTSH-QMHWCDLVSA-N 443.523 1.745 30 10 IDEE CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1213308017 AUFDTJINEHFNEI-UHFFFAOYSA-N 434.543 1.414 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 1264322109 QKFUVOMBDXFIBY-HIFRSBDPSA-N 447.293 1.992 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCc4c(C#N)cccc43)cc2)CC1 1276599381 HSVLOBYXEIWSED-UHFFFAOYSA-N 438.509 1.614 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1286297164 VAHXRLXZFQPPLN-ZBFHGGJFSA-N 430.513 1.221 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1286398689 ZYVWTDUQYLMQPC-YWZLYKJASA-N 433.534 1.079 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nncn1-c1ccccc1 1286401664 SYMKMNPUCYDVRY-HSZRJFAPSA-N 431.500 1.632 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1286448118 POZIXVCYDNVTNX-DLBZAZTESA-N 435.525 1.461 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC 1286522219 LJHSYBZNVKBFLL-HXUWFJFHSA-N 441.517 1.135 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286618537 CFYLBIZCKGFBAA-INIZCTEOSA-N 432.912 1.851 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1286701408 ZMJCMBVMVPEWKX-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1286815393 UARGYRLEQUCOSR-QGZVFWFLSA-N 429.502 1.417 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCn1cccn1 1286815530 ANBAJISVCOGJPP-UHFFFAOYSA-N 435.941 1.927 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1291825561 BPJWSGCTHPNJTI-VQIMIIECSA-N 442.520 1.899 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCCS(N)(=O)=O)CC1 1293135736 AJVANVFPTCFJCL-HNNXBMFYSA-N 429.340 1.227 30 10 IDEE CCC1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1293445799 NRCBLTFOMJYCSP-ZPHPHTNESA-N 429.525 1.569 30 10 IDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCOC1)S(C)(=O)=O 1295810877 PETJIPONQQXINE-GOSISDBHSA-N 432.550 1.713 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCn1cc(CO)nn1 1297353075 BXRPGZONTCIABT-QUCCMNQESA-N 436.520 1.732 30 10 IDEE CN(C)C(=O)O[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1298260538 DJNNYIQFURUWQE-OAHLLOKOSA-N 436.534 1.585 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1300307831 IXRYAMLDVOWOAB-DOTOQJQBSA-N 447.536 1.516 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300497282 XZLXXBBYJNWLOI-UONOGXRCSA-N 436.456 1.335 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300502400 SOJRYOPZVWVGGN-KRWDZBQOSA-N 434.587 1.862 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1300502983 ZMYCTQSSIWRRMK-FQEVSTJZSA-N 436.541 1.642 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(C2CC2)C1 1300516446 OVYCMHMHHCTISG-SFHVURJKSA-N 437.569 1.906 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)N1CCCC1 1300519756 ASISMHFGDDUWRN-HXUWFJFHSA-N 429.532 1.868 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NC(C)C 1300656777 CFKFVHHUWHUOFB-UHFFFAOYSA-N 437.342 1.657 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1300685160 IFLBZFWEBVFVGA-QPPBQGQZSA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)c2ccccc2)CC1 1300705850 DCTKPKBTHRTAHA-UHFFFAOYSA-N 435.576 1.682 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CCCOC 1300790396 PGRQGUMMPWFJOU-HSZRJFAPSA-N 449.563 1.881 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOCC)CC1 1300882746 XGLRKOUFHVOQAV-ICSRJNTNSA-N 427.553 1.875 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CCC2)CC1 1301126000 RJLDPQMVNIECJB-JWIGPWBQSA-N 426.608 1.884 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1301137976 ZVSASALDBCOIOR-MRXNPFEDSA-N 440.614 1.939 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1301270085 CAFGPHRCOPYRKH-MAUKXSAKSA-N 433.475 1.816 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1301289877 STEOBODFCJMKIQ-UHFFFAOYSA-N 430.534 1.732 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1301509923 QFTLWKCSQGOWEK-QZTJIDSGSA-N 426.496 1.645 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCOCC1 1301587270 SVQOLPBYYKMGNF-UHFFFAOYSA-N 430.534 1.344 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301589145 OENAMWKBMNVPHU-IAGOWNOFSA-N 434.566 1.500 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1 1302468264 FIUMCXVHBWBKCG-UHFFFAOYSA-N 432.550 1.455 30 10 IDEE CC(C)NC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1303447019 BQRWGIOHMZSVEP-IBGZPJMESA-N 448.528 1.205 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](NC(C)=O)C3)nnc12 1306858692 NIVFVYRCNLBNBV-AWEZNQCLSA-N 426.502 1.059 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1314522248 HBDGVIKOKIKBEP-UHFFFAOYSA-N 428.562 1.950 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1316361193 GAEFQQONNJQFAS-AEFFLSMTSA-N 430.534 1.657 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)CC1 1316567429 LPOKBIFRWWRKBG-ICFOKQHNSA-N 439.442 1.366 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1350510612 URDSKGZUEJDXJN-FQEVSTJZSA-N 435.502 1.017 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358965717 ZVBOXRCBVDGZHC-SXLOBPIMSA-N 445.589 1.952 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1359007672 QYPPQCWKDLZUMS-UHFFFAOYSA-N 428.518 1.179 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2ccn(C)n2)n1 1359027336 FUWGMPSEUIHKDX-UHFFFAOYSA-N 431.504 1.605 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)CCC)CC1 1359041790 IRYFPKVFWDAYDF-DHIUTWEWSA-N 447.580 1.447 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccn2)CC1 1359046969 MHXFJOCRHXMGGQ-UHFFFAOYSA-N 446.559 1.743 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 1359070693 RSDWHSVBCSJDQL-WIYYLYMNSA-N 429.546 1.651 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1359151046 LQDWJCBVIDIELK-IRXDYDNUSA-N 440.976 1.198 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359174671 KTOXBMSHBHJBEN-JTSKRJEESA-N 446.552 1.709 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](N4CCNC4=O)C3)C2)C1 1442732439 POGTXBZQNDNEFS-QOQLHOOGSA-N 431.537 1.789 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)C2)C1 1442759101 PNWATMGXJGFSQC-PDIVGGKMSA-N 447.580 1.477 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1449420995 FFGYFLSQELEWOH-OAHLLOKOSA-N 432.864 1.850 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC(F)(F)[C@H]1O 1451359796 LSOFLWSYUDXXKV-PBHICJAKSA-N 429.489 1.950 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)s1 1452726147 LEYOEVALWAXMMS-JKSUJKDBSA-N 427.592 1.370 30 10 IDEE O=C(CN1CCS(=O)(=O)CC1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456594878 UCEUPHXCVXIBLU-RKDXNWHRSA-N 444.344 1.346 30 10 IDEE C#CCOCCN(C)C(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1457388992 QDTPFQGXJDWRHU-INIZCTEOSA-N 431.352 1.860 30 10 IDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C 1459199059 UBHWNODSECGTHR-UHFFFAOYSA-N 427.939 1.620 30 10 IDEE C#CCCN(CC(F)(F)F)S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1463467606 SARWPRXKOZTTEG-UHFFFAOYSA-N 432.420 1.517 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C1CCOCC1 1464125425 PJZTWKIDSURXFG-LJQANCHMSA-N 440.587 1.876 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)cc1 1471110177 LVNIXYQZTTUTLI-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 1475918014 SHKVZTGOEHJCFX-QGZVFWFLSA-N 434.562 1.967 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1501120984 HAXVXPCEJATSAR-UHFFFAOYSA-N 439.520 1.770 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1504854080 FGOURDGALLQWLI-IBGZPJMESA-N 446.577 1.408 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1505141907 ACBSJBVHNFVIHL-HNNXBMFYSA-N 434.522 1.061 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)c1 1507548074 OYJIUDIDZPTYDL-UHFFFAOYSA-N 445.483 1.985 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507627327 DNQGNKPRBHMXFO-MRXNPFEDSA-N 447.536 1.483 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1507635483 WECPUJCXXKUSPS-SFHVURJKSA-N 442.520 1.601 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1 1507644903 PONMSCWSFDZOOI-OAQYLSRUSA-N 428.514 1.227 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1507666883 ICWQIHTWDQDEDU-UHFFFAOYSA-N 440.504 1.993 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1 1507719586 CIUSFUIGOJMXQD-UHFFFAOYSA-N 431.544 1.975 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(N(C)C)CCOCC2)CC1 1507734158 SJEHIUHEMGVPNZ-GOSISDBHSA-N 430.597 1.868 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507966614 UTGTZRKGMASODR-GCJKJVERSA-N 448.568 1.467 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1508095077 SCKBNWGVXQFKPR-MRXNPFEDSA-N 428.562 1.848 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1508096693 BSVCOMUPXRCKIX-JOCHJYFZSA-N 427.505 1.501 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)[C@H](C)C1 1508235360 DPMJGOCKGRHWTG-MRXNPFEDSA-N 447.499 1.783 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@H](C)CC#N)CC1 1508274120 DZDVLRCXYPDUSY-MRXNPFEDSA-N 440.508 1.756 30 10 IDEE CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1CCN/C(O)=C1\N=CC=CC1=O 1512803261 VMQHXDNFADRNOC-AOMYARPXSA-N 426.525 1.996 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CC#N)c3ccccn3)c2)CC1 1530820458 QVHBGTKCELWXRF-UHFFFAOYSA-N 427.486 1.105 30 10 IDEE CSc1nc(O)c(C(=O)NCCNC(=O)c2ccc(Br)cn2)cc1C#N 1532278766 ZEGZETVJEJSKEB-UHFFFAOYSA-N 436.291 1.698 30 10 IDEE CSC1([C@H](C#N)N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 1535945834 LPKOGXGPBDFVGS-INIZCTEOSA-N 427.523 1.706 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1538861102 BNPPAXPAYKCXOO-HYBUGGRVSA-N 448.479 1.934 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(C)C 1539013605 JDDMJCSDFVDQFZ-MHORFTMASA-N 439.582 1.130 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539211924 LWEONNFOFFGIER-HBIPHATFSA-N 436.559 1.384 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1539283841 BAIFGGBOSOWGOR-GOSISDBHSA-N 448.518 1.333 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)CC 1539564125 VYLNXHQLVVATBU-OAQYLSRUSA-N 441.561 1.448 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)C(=O)C1 1539580451 YJPJLGZWNQIDLI-CYBMUJFWSA-N 428.331 1.722 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCCOC)CC1 1539813098 VDQWLSJHOFGNGP-UHFFFAOYSA-N 438.960 1.522 30 10 IDEE Cc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1540835678 QQLBQPOYZSZJCN-UHFFFAOYSA-N 430.335 1.872 30 10 IDEE CC(C)Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541431423 UZIBSLCVNIMGIK-FMQUCBEESA-N 446.552 1.838 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@]1(C)COCCO1 1544582601 NKPNVRPEGNWCDU-OPAMFIHVSA-N 440.552 1.758 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1547311722 GKQQNXWROWJMKU-IBGZPJMESA-N 426.521 1.927 30 10 IDEE CN(C)CC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552858573 LWIZQWGTKUZONX-KRWDZBQOSA-N 438.536 1.352 30 10 IDEE COc1ccc2nc([C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)[nH]c2c1 1556295443 ZDPUEUFKWNOKOT-CHWSQXEVSA-N 427.486 1.987 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNS(C)(=O)=O 1588084338 QFPYPKDXBKSONB-SFHVURJKSA-N 429.546 1.657 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1588251208 OOWFEILSIRTPMJ-UHFFFAOYSA-N 446.511 1.441 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccncc2)CC1 1588309843 FXRJKLXLZGBFNE-UHFFFAOYSA-N 431.548 1.802 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@@H]1C 1588550591 VKOROYYIKMXVRS-IPELMVKDSA-N 447.536 1.971 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1588876880 MFPYXBKYJNESQU-UYAOXDASSA-N 440.523 1.368 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCn2cnnn2)CC1 1588954431 HLIIDGJLXJJJCC-UHFFFAOYSA-N 425.541 1.053 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1589124969 FYNUCQAOGPEXSY-FQEVSTJZSA-N 436.582 1.147 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589567180 BDAFLTYBDRGOCN-MJGOQNOKSA-N 441.598 1.561 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1594783914 LVUNRYWNDNSOKK-DLBZAZTESA-N 439.520 1.766 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)[C@@H]1CC 1595475833 GQNIFYMOPMJEEI-ZBFHGGJFSA-N 430.484 1.574 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1595500824 GERPTIKWVOOWSU-SFHVURJKSA-N 439.520 1.867 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Br)nc3N)CC2)cc1 1616239657 RMJSYBYVRXBIMA-UHFFFAOYSA-N 436.335 1.804 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1618678911 ONWCZPKAZBZYJY-UHFFFAOYSA-N 448.474 1.973 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC 1619597570 VROFKHGRKURMCX-MAUKXSAKSA-N 428.493 1.755 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619780673 FQEWASBQKCVTGD-XMSQKQJNSA-N 441.536 1.510 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1619844133 KSNZKVQYIFWJEF-IBGZPJMESA-N 444.561 1.858 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1620346462 BGEXSJYDDBMIFA-APPDUMDISA-N 441.439 1.398 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1623951691 SSHOSMQDYISKBZ-DEYYWGMASA-N 436.958 1.875 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc3ncc(Br)cn3n2)C1 1624812866 ALTPXZLQUIWGHA-MFKMUULPSA-N 435.282 1.981 30 10 IDEE C[C@@]1(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)NC(=O)NC1=O 1628791702 XCJGHBLUBNXYMU-ZSEKCTLFSA-N 443.891 1.401 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)C1 1632425783 SRQSPJXEGPHFHF-IBGZPJMESA-N 447.289 1.677 30 10 IDEE CNC(=O)N[C@@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1632538790 WKNLUDFXYVUPNT-AEFFLSMTSA-N 427.505 1.922 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 1632960331 DVSCZZBWNTXHEU-UHFFFAOYSA-N 432.546 1.130 30 10 IDEE Cn1ccnc1C1(O)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1633630438 ZDSBAZLQUVCPBQ-QGZVFWFLSA-N 436.472 1.007 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1634302476 QPSSFSAOAYMSCY-CVEARBPZSA-N 444.960 1.072 30 10 IDEE CO[C@H](CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[C@H]1CCOC1 1636834781 KQNMCQZQXHVGSK-OXJNMPFZSA-N 426.521 1.918 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1637389948 OAYWBHLRCKPALN-INIZCTEOSA-N 436.534 1.123 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)C2=O)cc1 1639194489 RFIKHQKBSZWIJI-DVECYGJZSA-N 445.479 1.419 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccnc2N2CCC(O)CC2)ccc1F 1642604287 UQUFUWIZUIEMJP-UHFFFAOYSA-N 434.493 1.898 30 10 IDEE C[C@@H]1COCCN1C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1645880454 DYYVSDRGWJNHSE-AUSIDOKSSA-N 443.567 1.720 30 10 IDEE COc1ccc(CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1Br 1653760375 VUKWGSCZTOAMOM-UHFFFAOYSA-N 433.262 1.608 30 10 IDEE N#Cc1ccc(C(F)(F)F)n(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O 1656831506 MIMSCDYODZLACB-UHFFFAOYSA-N 435.362 1.996 30 10 IDEE CCn1c(CN2CCO[C@@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1660381362 DCFCSADBPOZTJP-FQEVSTJZSA-N 433.534 1.192 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)C(=O)OC 1662439721 BQZSRTKEBIHKQE-MPGHIAIKSA-N 442.559 1.196 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1682439624 NNHBIGYQGLCPCZ-RZQQEMMASA-N 440.566 1.746 30 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C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCN(C)C1 1690265124 KRLBHDSQJCYEJE-HSZRJFAPSA-N 440.596 1.921 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1690320064 ISBNRQRJOAQYKD-CNNODRBYSA-N 436.553 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)[C@H](C)C1 1690666990 NIBYJUAERFZUNB-GOSISDBHSA-N 449.559 1.952 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690731738 QAHSZBTWHMXCQF-UHFFFAOYSA-N 442.593 1.858 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1695440415 ONXBIGRHIWLDDT-HOTGVXAUSA-N 449.556 1.709 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695498493 RZEQXVRAVTZZCA-UHFFFAOYSA-N 442.483 1.830 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705517299 SKSRXHFUNPTCOS-ZWKOTPCHSA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1705561132 QFHANYJTQJTZBK-DCXXXQMHSA-N 436.578 1.756 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CC3(CCOCC3)C2)CC1 1705635334 WFXIATHJWUSREJ-LJQANCHMSA-N 431.581 1.964 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705638341 HGLCFIVKISJFEM-ZCNNSNEGSA-N 441.624 1.741 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705658725 YUBXCSARQSVVAU-UHFFFAOYSA-N 441.605 1.774 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1708036428 AEOQCBQYUMGQAZ-YWMUFLPLSA-N 429.546 1.991 30 10 IDEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCS(C)(=O)=O 1711265197 UKPAKKSRADRXPU-UHFFFAOYSA-N 441.517 1.253 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CC1 1711410813 VOHXEEWPGREILY-UHFFFAOYSA-N 433.463 1.950 30 10 IDEE COCC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712271159 VGDUUFIZYZNYRV-RJCBAWPRSA-N 430.509 1.171 30 10 IDEE COCCn1cc(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)cn1 1712464899 ZXOSPSLGQPGEJI-UHFFFAOYSA-N 435.536 1.886 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C 1712487440 XAFJIYLRUDSQFU-DZFGPLHGSA-N 440.548 1.514 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@@H]1O 1712836641 ZHTXSUXAFSQQDV-APWZRJJASA-N 427.505 1.477 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](COC)OC)c1 1722308938 HZPSPISSQGOUFM-HKUYNNGSSA-N 427.505 1.500 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722369575 BGETWCJNTHGUMJ-SFHVURJKSA-N 432.546 1.829 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722372169 QPGFRWNTQDUCPI-YRISNDGFSA-N 436.578 1.177 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(=O)OC)CC1 1722387916 ROKVEHNUXFDLOH-OALUTQOASA-N 429.521 1.553 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1722442718 AEWDTCGDBWAETG-OAQYLSRUSA-N 448.527 1.588 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1Cc1ccc(C#N)o1 1723944556 YFBPQPJNABMJMV-GRDNDAEWSA-N 434.522 1.407 30 10 IDEE CC1(C)CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1724024918 PTUOMQSEKNJGAQ-FMQUCBEESA-N 441.536 1.553 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1726666201 HEOVHKOSPPGUGM-NVXWUHKLSA-N 430.534 1.323 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](CC)OC)CCOC1 1728798049 UDSFCEIQHYIVKZ-VGOFRKELSA-N 442.520 1.890 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1730852188 QOOWOPFYVMQULA-AVYPCKFXSA-N 433.513 1.120 30 10 IDEE C#CCCCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740596448 FZRITLAEROGLTL-FXAWDEMLSA-N 439.582 1.250 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1740643241 DFJLVZGJKHZRDX-XMMPIXPASA-N 428.496 1.812 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740762878 WTDWVSGSXZZBGZ-KQTLUZQSSA-N 429.443 1.978 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740845931 GVCPRSSJBKUCDG-UHFFFAOYSA-N 442.568 1.454 30 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IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749715961 XWRLAAQGUVDEJE-RTBURBONSA-N 446.577 1.327 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749731410 CVACDLRHTQGKQJ-GOSISDBHSA-N 447.561 1.508 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(SC)CCN(C)CC1 1750008060 NFTHPXJMBGHOSI-SJORKVTESA-N 438.598 1.558 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760180893 MRLUJGYVKJYRIW-MRXNPFEDSA-N 435.937 1.361 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1760187684 LIDNWGFCLSBDJK-WMZOPIPTSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN1CCN(Cc2ccccc2)CC1 1760193466 GGSLWKKTEGDEHY-UHFFFAOYSA-N 447.587 1.307 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1760206119 RCOHRYKUZHFZRS-KRWDZBQOSA-N 440.525 1.809 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(C)(C)O)cc1 1760250994 PMJWYYVIDPMPAW-UHFFFAOYSA-N 425.533 1.762 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2)CC1 1760253815 JYKLIOKSSKDJTE-OAHLLOKOSA-N 436.969 1.345 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCN2CCCO)CC1 1760254873 NVPBHZCRIJFUQT-OAQYLSRUSA-N 438.576 1.556 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760525010 QLDHERYCUOXBSO-GOSISDBHSA-N 449.559 1.982 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762848120 DINBAGKNAAHLKX-KIJUOZEOSA-N 429.525 1.569 30 10 IDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1763167484 QPFPYRYCVRVHMQ-QRQLOZEOSA-N 428.562 1.866 30 10 IDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CCCO1 1763197792 BBYXCDZTNLMVQL-GOSISDBHSA-N 442.589 1.886 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1769547799 BTZUYFPHEJJLFV-MSYCTHLASA-N 438.532 1.852 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1770050186 IRLVLMINERUAIH-BZUAXINKSA-N 438.529 1.644 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCOC2)C1 1771528970 WERKNDRZQKOOJK-HRAATJIYSA-N 443.483 1.811 30 10 IDEE CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(O)O)O1 1775953914 AYUKCOQZVROATE-OQSDRYHISA-N 432.513 1.645 30 10 IDEE in-vitro N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cn2c(=O)oc3ccccc32)cc1 1853067415 TURQNVYOLAZWPX-LJQANCHMSA-N 437.452 1.789 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@@H](C)NCCn3nnc4ccc(F)cc4c3=O)C2)CC1 1853444152 IHKROUJYLIERCH-HZPDHXFCSA-N 449.552 1.669 30 10 IDEE C=C1CCCN([C@H]2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)C2=O)CC1 1854724481 GMWIXZHGBUKBCJ-YJBOKZPZSA-N 428.558 1.939 30 10 IDEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)C1 1855552460 FKLPTTJJUYAWRL-UHFFFAOYSA-N 439.965 1.988 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3[nH]ncc3c2)c(OC)c1 1870098915 YSUMJTDSWQVPMA-UHFFFAOYSA-N 425.430 1.833 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(Br)cc2)c(=O)cc1CN1CC(O)C1 1870727944 ZVLSOEJQAHGVAQ-UHFFFAOYSA-N 448.317 1.991 30 10 IDEE CCCCN(CCO)C(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872678760 KRZOTXDXEYLWJJ-UHFFFAOYSA-N 433.490 1.744 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545059 KHSZZRBELMBIFQ-GJZGRUSLSA-N 436.314 1.679 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255545427 PZIBRFFAHNESER-CABCVRRESA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255594787 FEWDTJWIJOGBPL-ZSEKCTLFSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632025 HLDQEUOLEDOKCE-CHWSQXEVSA-N 438.309 1.786 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)NC(=O)OC(C)(C)C 2255880239 BTHMDXWJJVRDQE-GFCCVEGCSA-N 437.350 1.536 30 10 IDEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)ncc1B1OC(C)(C)C(C)(C)O1 2256622096 CDEVVRSHFPIATL-JSGCOSHPSA-N 436.318 1.297 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c(F)c2)OC1(C)C 2267182891 JMBJVPQMKFUGBZ-NWDGAFQWSA-N 443.206 1.508 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527470 ICTQJETXYHWSHY-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267530602 CTGKUVSMDOAGEB-QHCPKHFHSA-N 440.353 1.418 30 10 IDEE Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267536470 JLKLFBLHHXEJGV-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)NC1CN(CC(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268638966 XHEZKYIAPFLZFO-UHFFFAOYSA-N 445.369 1.811 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268645819 RPXGBTCXHRTUHN-AEFFLSMTSA-N 446.353 1.972 30 10 IDEE Cc1scc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2303624845 VTWIZNPSTVERAD-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE COc1nc(N2CC(O)(CNC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317502006 TZRQHVNPWZHKOP-UHFFFAOYSA-N 435.330 1.465 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337194484 MSEPDUMEDZJADF-CABCVRRESA-N 448.373 1.952 30 10 IDEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16519653 LJWPBCDFRPHMKD-HNNXBMFYSA-N 443.485 1.800 30 10 IDEE C=CCNC(=O)CN1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 58194278 CDEFJSDBHBHFOS-UHFFFAOYSA-N 430.246 1.624 30 10 IDEE COc1ccc(OC)c(N2/C(=N/C(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c1 103397210 XLYPMEZEIRYZNL-QNLHBCBFSA-N 442.515 1.560 30 10 IDEE C#CCNC(=O)[C@@H](C)Oc1c(Br)cc(S(N)(=O)=O)cc1Br 215984836 RBQPKTDSNBYNBM-SSDOTTSWSA-N 440.113 1.376 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC(=O)N2C)cc1 465460074 SWXORKGGOAVOHJ-UQASEVPWSA-N 434.500 1.614 30 10 IDEE CC(C)(C)c1nnc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 468000492 OWYFVXOUWYONJV-UHFFFAOYSA-N 448.574 1.923 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccccc1C 481970855 IPBLLLJWQPNFGY-UHFFFAOYSA-N 432.530 1.946 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 492433498 BHZXVYQZTCYBLK-UHFFFAOYSA-N 431.514 1.314 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 493919521 JMUKAXSINLDVCN-NRFANRHFSA-N 438.494 1.887 30 10 IDEE CNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 502456568 PALOVDWZUHDPGL-QGZVFWFLSA-N 430.511 1.620 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 508460404 CEJOCZPTXSXLFK-UHFFFAOYSA-N 428.541 1.898 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 508797067 YSVLRHQEASSXTH-FQEVSTJZSA-N 429.521 1.762 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 508908828 WBYOAUPHCZMXLO-HXUWFJFHSA-N 441.532 1.842 30 10 IDEE C=CCN(CC=C)[C@@H](CNC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)C(C)C 513701776 ZRDRDQYBCYOYHZ-SFHVURJKSA-N 427.549 1.623 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C1CC1 516830172 KYSAGRHKOPBYAL-UHFFFAOYSA-N 427.526 1.136 30 10 IDEE O=C(NCc1ccco1)[C@@H]1CCCN1CC#CCN1CCC[C@@H]1C(=O)NCc1ccco1 530411502 IBRPWTVXORGJRY-SZPZYZBQSA-N 438.528 1.737 30 10 IDEE CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 537250926 MNMDUMSBQMKWFY-SFTDATJTSA-N 429.540 1.867 30 10 IDEE C[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCS1(=O)=O 545194251 XRABHCWFHBDHSV-HOTGVXAUSA-N 434.562 1.475 30 10 IDEE COc1ccc(C[C@@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 582262609 ISZVHQPGHJSHLE-HXUWFJFHSA-N 428.470 1.289 30 10 IDEE CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1OC 609944105 HGKIICGFJGLMNN-UHFFFAOYSA-N 434.449 1.722 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 610643751 FZBYMTRZHVLDEF-PGRDOPGGSA-N 426.521 1.352 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3cnccc23)c1=O 611916235 WRILAFURARPPEJ-UHFFFAOYSA-N 434.521 1.276 30 10 IDEE C[C@]1(c2ccccc2Br)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732665925 ARBSGTYTGPZLJL-IFXJQAMLSA-N 432.322 1.846 30 10 IDEE COC(=O)[C@H](OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(C#N)cc1 740205185 SRHDRNJKDRYJAG-OAQYLSRUSA-N 433.420 1.387 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c1 747785784 ALKQMSYHVSBAOB-UHFFFAOYSA-N 433.917 1.964 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2ccn(C)n2)C1=O 760454360 LZNHTGOYSAJPSF-GOSISDBHSA-N 428.562 1.662 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765546764 FTUMAUHYPZFYEK-LJQANCHMSA-N 438.557 1.601 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)c1 771292808 LBWORDMFFXXJOS-DEOSSOPVSA-N 448.479 1.507 30 10 IDEE C#CCN(C(=O)NCCCC(=O)N[C@@H](C)c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 774249651 JQXJRRHODSPPKV-HKUYNNGSSA-N 449.573 1.875 30 10 IDEE C=CC[C@H](CO)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 775563010 BPMYVJSVPDBJMJ-ZDUSSCGKSA-N 447.351 1.384 30 10 IDEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 781650025 UWTCVIIAAVIBNJ-OAHLLOKOSA-N 446.326 1.887 30 10 IDEE Cc1csc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1I 786944497 GBYJZQJOKZHWKH-ACCUITESSA-N 431.255 1.917 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)n1 788369467 HNUNPBYWPOHLQK-XMMPIXPASA-N 435.528 1.878 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)n1 788814840 IECUXDQMNKLQSI-VQTJNVASSA-N 444.532 1.473 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCOC)c1=O 794582582 PVTFUBZPRXSJJJ-UHFFFAOYSA-N 429.517 1.383 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 800775416 LOQWXQIDQVLPBV-QGZVFWFLSA-N 433.534 1.904 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 916776150 VDZGPTLKILCCCB-QGZVFWFLSA-N 447.538 1.605 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(I)cc2OC)C1=O 1129337203 VAYJOWDTAMXVTG-UHFFFAOYSA-N 443.197 1.215 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)s1 1141351308 HKZNJOQARAPCLY-UHFFFAOYSA-N 447.460 1.927 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3cc(Br)ccc3OC)CC2)CC1 1144028629 VEVWXNHMBSCHHD-UHFFFAOYSA-N 448.361 1.773 30 10 IDEE C[C@@H](CC(=O)NCc1nnc2ccc(Cl)cn12)/N=C1/NS(=O)(=O)c2ccccc21 1148320915 KXEBKGIILUWENT-NSHDSACASA-N 432.893 1.516 30 10 IDEE Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157884521 IMPTWZBCHHDQED-APPDUMDISA-N 426.520 1.809 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1c(I)ccc(Br)c1F 1159331381 GIJNICOCOIAQAL-SSDOTTSWSA-N 443.010 1.913 30 10 IDEE N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1160873502 QFVYYVZDJOQUFM-KGLIPLIRSA-N 430.983 1.906 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)cc1 1163993222 BIBZGXAOJGCGGW-VQTJNVASSA-N 426.494 1.627 30 10 IDEE CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1165604538 HGXOXGCOCZMDRX-GOSISDBHSA-N 426.542 1.501 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 1175515267 VEIOVMKJAPLRIF-UHFFFAOYSA-N 439.335 1.085 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H](CC#N)C(F)(F)F)CS(=O)(=O)[C@H]2C1 1178330149 OHTQNNCBOIBXHP-FVCCEPFGSA-N 439.456 1.617 30 10 IDEE C#CCCCCn1c(COCC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286334251 HFKDBESRJBFXIK-GOSISDBHSA-N 439.582 1.249 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCn1cc([C@H]2CCOC2)cn1)[C@@H]1CCS(=O)(=O)C1 1286386339 YRCXLGDSTCXRBA-PKOBYXMFSA-N 446.577 1.429 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286387601 SRBWIIFBKVNZBL-ZWKOTPCHSA-N 441.557 1.487 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286428677 FENHPNIQADMXSK-LEWJYISDSA-N 440.592 1.925 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286465225 KEWGZDGBBNMHOK-QGZVFWFLSA-N 449.552 1.899 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286568445 WQXLGGMBICBQMM-VQIMIIECSA-N 441.598 1.704 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1286602071 SUJZFMLKJBXABC-GOSISDBHSA-N 432.569 1.992 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286715671 PKAPNRSLLPMZET-QGZVFWFLSA-N 440.552 1.490 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1286781228 PNBFBXJIQFGUOW-IBGZPJMESA-N 440.548 1.859 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286784295 COLGYNNCANHYCC-MRXNPFEDSA-N 440.504 1.471 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCO[C@H](C)C2)C1 1286799451 WFUNCDRFKLRKTR-UXHICEINSA-N 446.596 1.796 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287148340 ZJBWAWVURGTYEH-QFIPXVFZSA-N 439.520 1.456 30 10 IDEE C=C(Cl)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OCC 1287777513 OZPVAEYWIFRUCH-INIZCTEOSA-N 429.926 1.673 30 10 IDEE C[C@@]1(N2CCOCC2)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1289065044 NZJLTRLLOQRTCK-HSZRJFAPSA-N 440.548 1.517 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1293111559 VHOVRLXHISLYSD-LJQANCHMSA-N 437.596 1.460 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1298098374 WTZNCVUVQQDKRR-IBGZPJMESA-N 443.577 1.383 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C#N)o2)CCO1 1299153782 BTNTXQWMYZEMHZ-LJQANCHMSA-N 436.472 1.630 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1300578289 KGLJYIINMBTOBI-OXJNMPFZSA-N 432.571 1.612 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1300591920 WXTVNONXORNELT-LJQANCHMSA-N 443.577 1.027 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(N)(=O)=O)cc1 1300635851 YRGLHPPWZPKOAX-UHFFFAOYSA-N 441.561 1.489 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@H]2COCCO2)n1 1300680808 FHWGQLULJQWDBE-WOJBJXKFSA-N 444.536 1.418 30 10 IDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1300696337 YOHXQENDLRRMAK-UHFFFAOYSA-N 441.561 1.121 30 10 IDEE COC[C@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301067527 GEKBSMWSZIRHKT-LJQANCHMSA-N 436.495 1.842 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301229211 JYGVAFPAKYCCNA-QGZVFWFLSA-N 426.525 1.579 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301442997 ULVYDLVAEJUJTM-HFJQGTKSSA-N 438.532 1.567 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1301490561 VLDBZSSRAOJWLJ-CYBMUJFWSA-N 432.912 1.576 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1301951672 CXOIHMNDPVOVKY-HZPDHXFCSA-N 425.603 1.749 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(c3cc(C)no3)CCOCC2)s1 1301976776 AQDRCVCKLSILGO-UHFFFAOYSA-N 425.532 1.873 30 10 IDEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1302505115 GDNYDQDJRIGMFP-WWOZWPLTSA-N 427.534 1.967 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2Cl)CCO1 1303001597 FCNIRPCXUQSSJN-CQSZACIVSA-N 431.884 1.370 30 10 IDEE COc1ncccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1315675929 CECMDEKLRREWJY-UTKZUKDTSA-N 428.493 1.499 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1358889591 DMFNEHBCJDVWDL-LPHOPBHVSA-N 447.561 1.434 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1359018207 HWQARUHUALHMEG-XMSQKQJNSA-N 431.537 1.328 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1359208409 LNYJCEGIQNYGHJ-INIZCTEOSA-N 437.570 1.473 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359208814 UYSLKCDFLMSDFM-LSDHHAIUSA-N 442.586 1.958 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1360162542 OBMGDORFSIDDIT-LSDHHAIUSA-N 445.490 1.808 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)o1 1437013193 PLTDFWOXDPMLOK-OAHLLOKOSA-N 430.486 1.422 30 10 IDEE CN(C)CCNC(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1443146314 GUOUCLAQZNLXEQ-UHFFFAOYSA-N 446.504 1.344 30 10 IDEE N#Cc1cn(CCC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c(=O)nc1O 1448481087 HPGBBIJTJYFRTK-CQSZACIVSA-N 432.278 1.368 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cn1C 1452498035 KYUDNPFXEDWWID-SFHVURJKSA-N 430.534 1.006 30 10 IDEE N#Cc1ccsc1N1CC[C@H](N2CCN(S(=O)(=O)NCc3ccccc3)CC2)C1=O 1460357840 CDWBKTVCSSMIEU-SFHVURJKSA-N 445.570 1.377 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cc1 1465259515 WLCJTIGRUYFQGP-OAHLLOKOSA-N 430.552 1.168 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)c1 1467109909 AEDUKYGRIVONLG-UHFFFAOYSA-N 445.501 1.703 30 10 IDEE C=C[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1470410475 ITWBRDYCOMYFLL-NVXWUHKLSA-N 430.530 1.776 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2cccc(C#CCO)c2)CC12CN(C(=O)OC(C)(C)C)C2 1472079501 WPODSMMHDSQOKG-SFHVURJKSA-N 428.485 1.513 30 10 IDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H]1CS(N)(=O)=O 1472154251 HSWOXSCYYQCNSU-RLVYFCSOSA-N 440.566 1.156 30 10 IDEE CC[C@@H](c1ccc(Br)cc1)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1472689999 IEZZOFAKHMJIBQ-INIZCTEOSA-N 432.322 1.981 30 10 IDEE CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nnc2n1CCN(C)C2=O 1473787808 AJRLBPVZCTYSAE-UHFFFAOYSA-N 427.534 1.636 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 1478125823 DBMOUEYIVBIBTA-QGZVFWFLSA-N 430.461 1.297 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1500987543 JADYULWBYBSROJ-IXDOHACOSA-N 425.603 1.749 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1504887398 BXBDXHCDSQRATO-IAGOWNOFSA-N 425.555 1.711 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1504914567 WCFMWXSYVUYBFE-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507590044 UYVIOMWFPZPGAC-UHFFFAOYSA-N 429.532 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1507667262 LJZUXKGWEJZYBU-DEOSSOPVSA-N 446.511 1.289 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1507710302 MTMMHYKZDAUGBW-UHFFFAOYSA-N 429.488 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)OC)CC1 1507734985 GMPBDARFVBDIHP-MRXNPFEDSA-N 439.516 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)OCCO3)CC1 1507741521 VZLWBVYLWLTZIG-UHFFFAOYSA-N 439.516 1.600 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507860518 QHYWMFNGDWITFY-UHFFFAOYSA-N 443.939 1.454 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)(C)C)CC1 1507884597 KDYBEYIPXORRGP-SJORKVTESA-N 441.598 1.829 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1507934749 JBHCISZYLYVYRE-OAHLLOKOSA-N 425.555 1.007 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(c2ccccc2)CC1 1508091347 KMYJIYRUPFSUTA-UHFFFAOYSA-N 449.559 1.930 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C[C@@H]1C 1517709718 IJGLWXOMAVDXBS-AOMKIAJQSA-N 439.520 1.160 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1519166290 GNRMRKQRCSPQSB-UHFFFAOYSA-N 437.504 1.432 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1521711746 BEAKKWKOZKRBJC-OAHLLOKOSA-N 439.476 1.464 30 10 IDEE N#Cc1nc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)ccc1Br 1529520943 PDXVFQHSUZNWLD-UHFFFAOYSA-N 432.190 1.988 30 10 IDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(N2CCNC2=O)cc1 1529885354 CUGYFGMGWAJREK-CYBMUJFWSA-N 427.486 1.132 30 10 IDEE CC(C)(CN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1536200176 GQYBDYFJYVJROG-UHFFFAOYSA-N 434.562 1.186 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1539031656 MTBHDPOQAARONL-HNNXBMFYSA-N 436.509 1.394 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1539332355 NSUDXYFAQIPQMF-QGZVFWFLSA-N 431.587 1.922 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@]1(N2CCOCC2)CCSC1 1539407524 GBDULGDSHMCFRA-OAQYLSRUSA-N 430.578 1.567 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1539430616 LZGCGMSXPJUSMQ-RPWUZVMVSA-N 439.560 1.593 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](OC)[C@H](OC)C1 1539644642 HIXVOBUSSYVLCX-FGSPNWDHSA-N 436.553 1.833 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1540871462 MHKQWZSVZSYDIX-NRFANRHFSA-N 439.564 1.127 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nncn1C 1540875240 FLNAVPUXAJGVHS-KRWDZBQOSA-N 440.483 1.768 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1541723903 KGCJFXUFPSRAJY-FGZHOGPDSA-N 432.569 1.515 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC=CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1545860994 MXKUEFJPVGASDB-HTXNQAPBSA-N 427.509 1.489 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(OC[C@H]4CCOC4)CC3)C2=O)cc1 1546078261 JECAAZLMHIUIME-PXNSSMCTSA-N 440.500 1.807 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1554489156 DYMROZXJVXHPRE-GOSISDBHSA-N 448.531 1.667 30 10 IDEE Cn1[nH]c([C@H]2CCCN2C(=O)C2CN(c3ccc(Br)cc3C#N)C2)nc1=N 1556315832 GPVHAPIEZBEONE-OAHLLOKOSA-N 430.310 1.662 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(c2ccc(C#N)c(Br)c2F)CC1 1559190268 DGLFUBIFBAXLSM-UHFFFAOYSA-N 439.332 1.554 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 1560057794 DAUFJMUJQZUAIR-HUUCEWRRSA-N 439.559 1.681 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2=O)cc1 1568507837 HEWUNNWJOGQVQP-GOSISDBHSA-N 447.426 1.276 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)c1 1586103524 VTYREMPXEKWRJQ-UHFFFAOYSA-N 429.473 1.782 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](Cc3cccc(OC)c3)C2)cc1 1586364111 MEHPOZPSCBIRJG-LJQANCHMSA-N 427.526 1.263 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588050284 QJEXQCCZYGOCRR-MJGOQNOKSA-N 430.578 1.697 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC[C@@H](C(F)F)N1CCOCC1 1588173591 FRMFMLHDLRYHTL-KRWDZBQOSA-N 436.507 1.235 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3cc(C)cc(F)c3)c3c2CCC3)CC1 1588198862 ATEPSALYSHROPD-UHFFFAOYSA-N 445.520 1.034 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCSC2)n1 1588724009 SFMIBKZWEXXCIA-WMZOPIPTSA-N 443.577 1.465 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1588769854 ZQFOSHGBWKNCSA-UHFFFAOYSA-N 436.560 1.545 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588836626 MPEFYYICFRJSAO-ZHRRBRCNSA-N 431.487 1.442 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1589125947 SODLLACBEWXRDN-HTAPYJJXSA-N 447.605 1.792 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1589125950 SODLLACBEWXRDN-VGSWGCGISA-N 447.605 1.792 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCNS(=O)(=O)Cc1ccon1 1589192284 NLLOHZIQVRQOQZ-HXUWFJFHSA-N 441.517 1.440 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1595461477 XATZKGVLBNXHKX-KRWDZBQOSA-N 447.584 1.794 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccc(Cl)cc1 1595538080 YRMHJSQNCFOEHQ-MRXNPFEDSA-N 432.912 1.700 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1595555612 FCHWQRPMGNEFCD-CQSZACIVSA-N 433.459 1.839 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)C1=O 1618460195 ZCPJNIHBDPZJJL-YJYMSZOUSA-N 445.321 1.915 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 1618852677 CCNHNLIDVAVWLC-XLIONFOSSA-N 438.532 1.927 30 10 IDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1620148668 AAWNJAZAFPQECD-QAPCUYQASA-N 425.530 1.971 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCCN1CCO 1624698031 NSMSFVJKBYHGCR-AEFFLSMTSA-N 436.578 1.247 30 10 IDEE O=C(Cc1ccc(Br)cc1)N[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)c1ccccc1 1624906626 OQYIVGKHEOUEGW-SJLPKXTDSA-N 446.301 1.955 30 10 IDEE N#Cc1cn(CCC(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)c(=O)nc1O 1627372108 JSHKCHVNUPQKJM-CQSZACIVSA-N 426.351 1.349 30 10 IDEE COc1cc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc(OC)c1 1629112264 MNTXHNBWUZEQGN-UHFFFAOYSA-N 449.460 1.851 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2OC)cc1 1629933237 UQTSQIDFZIXPMU-UHFFFAOYSA-N 431.514 1.799 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C 1634265675 XTXBPKNEIVPEHG-OAHLLOKOSA-N 426.539 1.871 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](CO)Cc3ccoc3)CC2)cc1 1636788482 SRBFNAGBQHCTEX-SFHVURJKSA-N 431.514 1.519 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1639148856 ZIXKSFMFVOXUKS-HCXYKTFWSA-N 448.564 1.972 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1640118277 GPDZESYCTFJVQI-WBVHZDCISA-N 443.525 1.794 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1640460200 VFYCHGDJLSQYHO-CXAGYDPISA-N 428.532 1.466 30 10 IDEE COc1ccc(Cl)c(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1640750250 XNRIBSOATYVWPC-UHFFFAOYSA-N 448.932 1.736 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(O)(Cc4ccccn4)CC3)C2=O)cc1 1645268508 RDZXFKMRKSXPLC-HXUWFJFHSA-N 447.495 1.754 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(CO)c(CO)c1 1647831923 COVNBKUNNTUXGG-UHFFFAOYSA-N 431.514 1.909 30 10 IDEE COC(=O)c1ccn(CCCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)n1 1654530840 KVCLFAMNJIVNCW-UHFFFAOYSA-N 436.266 1.633 30 10 IDEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C(F)(F)F 1655508142 ALDDNPDGCYQSJA-ZIAGYGMSSA-N 443.426 1.177 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1689924769 TUURDNYCDVMUIC-INIZCTEOSA-N 443.577 1.709 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1689928429 OFFHVSWGPNQVBD-HXUWFJFHSA-N 449.559 1.081 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1nncn1-c1ccccc1 1690025439 QSIIDSIJLYWNLU-UHFFFAOYSA-N 425.500 1.842 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1690028013 HLPLDWIKSXIKHD-UHFFFAOYSA-N 442.541 1.906 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCN2CCN(C(C)=O)CC2)CC1 1690119642 MLHDGQCCSHSPJK-UHFFFAOYSA-N 435.576 1.173 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(CN2CCOCC2)CC1 1690169948 UEIFUXUMYUIYEX-UHFFFAOYSA-N 427.578 1.650 30 10 IDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690479135 WDFONARLRPGJLT-UHFFFAOYSA-N 443.533 1.946 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690506382 MEIQFXSAPNJQHW-UHFFFAOYSA-N 426.525 1.890 30 10 IDEE CC(C)OCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1692606076 JEVDUDRRCJAYEI-SFHVURJKSA-N 438.536 1.917 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1692661670 FLUJMLVTCHUXBX-KBPBESRZSA-N 436.504 1.803 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)n1 1693425479 BBGRGIQWYBKYMM-UGKGYDQZSA-N 444.559 1.819 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1696630605 GJGSBHDDCUGMRV-QGZVFWFLSA-N 435.575 1.556 30 10 IDEE COCCN(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1698028422 DSUPZQGZFGZERO-OAQYLSRUSA-N 430.484 1.736 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](OC)C1CC1 1698150304 FYMPYEPIYGOTFQ-LIRRHRJNSA-N 442.520 1.962 30 10 IDEE C#CCCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1705521765 LCFXBMQWWBESCZ-UGKGYDQZSA-N 428.537 1.836 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)CC 1705585276 PMACSGCTOYNMEL-VWLOTQADSA-N 434.588 1.877 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCSCC2)CC1 1705636432 JTSXQXRHVLMAQZ-UHFFFAOYSA-N 426.590 1.758 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)CC1 1705638572 OUWPUDWCZDVNCV-MRXNPFEDSA-N 429.912 1.112 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1705646503 ZMZUBXNSJBDGDS-UHFFFAOYSA-N 442.527 1.988 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705662427 YQRZGNOIQSXTOT-INIZCTEOSA-N 429.550 1.274 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1705717471 KWQLGVNZUDRNRX-GOSISDBHSA-N 431.562 1.991 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705786403 NDOJIKAQXMCRLE-JKSUJKDBSA-N 440.614 1.986 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 1705849901 ZOBFOJTVLIDEMQ-KGLIPLIRSA-N 442.586 1.956 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705902391 DBJWCMQEGPDGAM-ZWKOTPCHSA-N 428.541 1.209 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2scnc2C)C1 1705915379 JXTIOBVFOMSLFH-LSDHHAIUSA-N 440.595 1.677 30 10 IDEE CC(C)c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1706274509 JRTPWQONPQFGKI-QJGXAYKQSA-N 438.554 1.186 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CCO1 1706689062 IFEYTQXVVYEDTG-LJQANCHMSA-N 426.521 1.925 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1709185472 ADVLOSDVSAVSLT-LJQANCHMSA-N 437.548 1.642 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1722295527 WXKGGIWFUDTMMH-OAHLLOKOSA-N 435.488 1.492 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1722361100 KZQHUAKTLPMFEB-INIZCTEOSA-N 441.517 1.155 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1722369360 YFSGFCXUOUWLMD-AEFFLSMTSA-N 432.550 1.237 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1722374544 WVWATPZPYGTVEN-QPPBQGQZSA-N 443.592 1.892 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CC1 1722461278 NAOWLAJHLDVSKS-MRXNPFEDSA-N 427.596 1.214 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1722588687 XPDUJDJIUZFUMW-MSOLQXFVSA-N 439.626 1.939 30 10 IDEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC)C1CC1 1722651160 QLWPKFAYOLSZOB-SFHVURJKSA-N 433.534 1.885 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1722680840 BINSTHIWSUZAQN-ZDUSSCGKSA-N 426.568 1.281 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722738182 CHVHEGJNULVVCN-OAHLLOKOSA-N 429.612 1.609 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722881456 PTXJBGDTGSVGDF-QGZVFWFLSA-N 439.520 1.827 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCn2ccnc2C)CCOC1 1728817983 OSADCCBZRDFSIJ-NQIIRXRSSA-N 429.525 1.644 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1729728595 IDKGPRXBILFVSO-UHFFFAOYSA-N 438.492 1.120 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCC[C@H]1OC 1730868939 LCHSYTVRCQYGIA-HNBVOPMISA-N 432.569 1.994 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1731179469 CGBNLVNFVXCDFQ-TWOQFEAHSA-N 442.486 1.970 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)CCS(C)(=O)=O 1740585296 ZHVHVAMUYBZNJV-UHFFFAOYSA-N 428.522 1.205 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1740623343 RSDDOKSYPODPGQ-DLBZAZTESA-N 433.578 1.477 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)Nc1ccc(F)cc1 1740631982 NYZGZYPHFVOJPS-JOCHJYFZSA-N 425.464 1.781 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(C)c2)CC1 1740695065 CESFAWHVMBNXJB-UHFFFAOYSA-N 432.532 1.172 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H](C)C(=O)NC 1740750336 PFKZFWWNKJOOLI-UBHSHLNASA-N 430.347 1.729 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnn(C)c1 1740950942 NLCKVWCDMQMVLL-UHFFFAOYSA-N 436.520 1.819 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1740988976 VWHCCOKQPCHGOZ-KRWDZBQOSA-N 428.518 1.119 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742393904 MQAGGDFSLIFXBW-UFIXSJTLSA-N 449.515 1.482 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cs1 1742590680 ASFHOWWLVJCCFR-RTBURBONSA-N 445.593 1.719 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1743955005 YVZATIZLANPGSF-KSZLIROESA-N 437.504 1.537 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1746972747 FUUSKJDTTNTORC-BSBNDGSWSA-N 439.520 1.815 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748638033 IEOSZYUSGVPTQE-KURKYZTESA-N 425.537 1.883 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748809556 NJXBVYSGOIYOPP-SFHVURJKSA-N 443.573 1.652 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@@H]1C 1748912299 BSZCYHLBWCEYSK-IERDGZPVSA-N 446.577 1.546 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C)C(C)(C)C1 1748964601 HJDHPTPNNQNDKJ-UHFFFAOYSA-N 445.637 1.746 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)CCC)CC1 1748979559 FGPBDWQUALJJOP-JOCHJYFZSA-N 445.589 1.655 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1748993323 VIHSTUXYMYYXGY-UHFFFAOYSA-N 445.564 1.588 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749133814 QKJLOPCMQOBHJO-QFUCXCTJSA-N 443.523 1.940 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1749286786 RGOYUBIZVSJYHR-QZTJIDSGSA-N 440.614 1.402 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCOCC1 1749600616 HJIMGRRMCQUSRH-UHFFFAOYSA-N 426.521 1.697 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1749663345 AYWASZHGHBNQRN-OAQYLSRUSA-N 425.468 1.218 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1nccs1 1749677977 QXZPSHPHWQBJQL-UHFFFAOYSA-N 431.547 1.665 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)C1 1749696936 FQPOXEVHNOBFAA-DNVCBOLYSA-N 447.561 1.748 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccc(C#N)o1 1750152069 SYGQLIGMUQRMAO-JXFKEZNVSA-N 442.520 1.820 30 10 IDEE CC(C)Cc1nnc(N2CCC3(CC2)COC(=O)N3)n1CCN/C(O)=C1/N=CC=CC1=O 1750734327 LBWUVJYPAYTXCK-ZCXUNETKSA-N 443.508 1.082 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1751005605 FXIXQDVQPNCOHQ-KRWDZBQOSA-N 448.549 1.282 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1760183307 AGOOKPHKQAMDOI-INIZCTEOSA-N 428.493 1.677 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)s1 1760194812 QXMIRCQRTFGLBA-CYBMUJFWSA-N 425.967 1.919 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1760202401 CLCATGGMNWBGIE-QGZVFWFLSA-N 438.536 1.642 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCc2cnn(C)c2)CC1 1760264078 ANWOXHRGFDFOHA-UHFFFAOYSA-N 449.559 1.987 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1760490232 SCEKHRZZPIYVKA-GUDVDZBRSA-N 427.553 1.657 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCSC 1760521568 XJGUVBRQMOZRKL-UHFFFAOYSA-N 441.561 1.684 30 10 IDEE C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1761425953 FFAJWQIBDMMAPG-XYJFISCASA-N 425.541 1.456 30 10 IDEE Cc1nc(Cc2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1762278953 QYUXKZSURUUWET-HNENSFHCSA-N 425.518 1.927 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763817452 MGAHUHILUFDLLJ-MNYCATERSA-N 444.536 1.702 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1765816032 WMFNYGRJPSYTTF-ZDZITJCTSA-N 446.552 1.939 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1766724562 CTOATJYNYIXGJP-KXBFYZLASA-N 444.561 1.760 30 10 IDEE CN(C)CCN1CCC(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1768514006 GDWWUWBEZYDQDY-NRFANRHFSA-N 427.532 1.451 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768794742 IDLAMLWUQWULMO-XOMICKMZSA-N 437.504 1.729 30 10 IDEE CS[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771381843 QQJDBCAVOCWVKK-CYBMUJFWSA-N 427.534 1.801 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1771504681 DTUKWGPJLLAQFH-WAOLJKTLSA-N 443.552 1.227 30 10 IDEE C=CCN(C(=O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1)[C@@H]1CCN(C)C1=O 1850863152 PYRKEBQVDMCTTN-OAQYLSRUSA-N 440.523 1.864 30 10 IDEE N#Cc1ccnc(N2CCN(CC(=O)Nc3ccc(I)cc3)CC2)n1 1851330013 NQLJMMRQVAIITA-UHFFFAOYSA-N 448.268 1.714 30 10 IDEE N#C[C@H]1CN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NS(=O)(=O)c2ccccc2)CCO1 1852462841 DQWODVDQEDRBDV-PKOBYXMFSA-N 433.917 1.981 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(C[C@H]4CCCO4)C3)CC2=O)c1 1854102894 CXILYMUGXIGYAG-ZWKOTPCHSA-N 430.936 1.944 30 10 IDEE C=CCN([C@H]1CCN(C(=O)c2cnn(CC)c2C(F)(F)F)C1=O)[C@@H]1CCN(C)C1=O 1854194656 VEJWYKKHLLEJAF-KGLIPLIRSA-N 427.427 1.382 30 10 IDEE Cc1nccn1CCC(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856360335 GVQQBPCQNVMMLZ-KRWDZBQOSA-N 426.546 1.460 30 10 IDEE Cc1ccc(S(=O)(=O)OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 1858088843 VCBQCNWNKOASJZ-UHFFFAOYSA-N 432.498 1.773 30 10 IDEE COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)OCO4)CC2=O)cc1 1870159894 VGDXVSOBYAHMBC-CYBMUJFWSA-N 446.423 1.868 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873561586 RATBWIUXNRKWLO-HOTGVXAUSA-N 426.521 1.535 30 10 IDEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCN(CCO)CC3)ncnc21 1873593236 KFLOVQFYKWYJEL-UHFFFAOYSA-N 443.596 1.193 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600750 UGJMQPVOEJNYFX-UHFFFAOYSA-N 441.919 1.841 30 10 IDEE COc1ccccc1CCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c(O)c1 1874313495 XNWRMYRYPKIOHJ-SSDVNMTOSA-N 427.486 1.943 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC#CCN2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1889191022 KXZHDUBRMVLWKN-FCHUYYIVSA-N 440.569 1.404 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2010399215 QVOSDPQDIGYWLF-UONOGXRCSA-N 425.335 1.840 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]1(C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248482859 GQZKLRKLFPYJCF-LJQANCHMSA-N 438.359 1.987 30 10 IDEE Cn1ncc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2255544529 AOWTWMFQMFXEIC-QGZVFWFLSA-N 430.236 1.002 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255623541 ONWCTKQEWAJVNS-HNNXBMFYSA-N 436.362 1.998 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)ns2)OC1(C)C 2255630255 HVZGNNWKJVLMGI-QWRGUYRKSA-N 445.272 1.820 30 10 IDEE CCN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255650766 DWMVEJQFWDOMLV-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255660721 JWSPUVIQMQQJKH-STQMWFEESA-N 435.334 1.242 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255821284 YMWNILPOLWXFIS-KBPBESRZSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255834695 PGPRTWRLWQOPGH-KWUMSVIQSA-N 438.309 1.834 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256066480 CKWXWRCCAWHZMM-UONOGXRCSA-N 432.330 1.951 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256628090 DVENYDFGJSHKAB-RHSMWYFYSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267264935 YFXLJXLGCUECHA-KRWDZBQOSA-N 447.341 1.747 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267267274 VRVMCODHRMWQGT-ZIAGYGMSSA-N 449.361 1.584 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267495749 PQDLBGRLYVUMAO-INIZCTEOSA-N 449.357 1.860 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2267546052 QULPWHSSHITFDL-HDICACEKSA-N 437.353 1.318 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(C)OCCO1 2282421576 PSRHIEHWQYAKPW-UHFFFAOYSA-N 427.328 1.426 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1C 2315527745 ZEQKARHIEPHWCY-KBPBESRZSA-N 434.346 1.671 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCCSCCO)cc2Cl)OC1(C)C 2335663907 ALYIVIFZUBUNQQ-UHFFFAOYSA-N 427.806 1.705 30 10 IDEE COc1nc(N2C[C@@H](O)C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786341 KDERMZMSRBYBBR-GJZGRUSLSA-N 449.357 1.854 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)cc1OC 20527330 MLGWAVPVFAQPSA-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE O=C(O)COc1cccc(C=NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)c1 254555366 MBXVEAIHRCOCGN-UHFFFAOYSA-N 441.492 1.608 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 448121663 ILFJCUBSXIVKDP-UHFFFAOYSA-N 448.325 1.482 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 460935101 URURUOPUJKAFDO-IKGGRYGDSA-N 426.587 1.106 30 10 IDEE COc1cc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)ncn1 461349779 LELMZWZIJIORCW-KRWDZBQOSA-N 441.561 1.078 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CCN3CCOCC3)c2=O)o1 471195092 GZFQKSXWGFPODR-MRXNPFEDSA-N 443.569 1.516 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC1 474042763 YAHSVFHIPMVSFM-UHFFFAOYSA-N 446.367 1.375 30 10 IDEE Cn1cc([C@H]2CN(C(=O)c3ccnc(C#N)c3)CCN2C(=O)c2ccnc(C#N)c2)cn1 476667062 VHSIGIBJWURUFS-HXUWFJFHSA-N 426.440 1.293 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 507730555 FSXBIYHXJKTIAV-JVVKFSLBSA-N 435.613 1.465 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CC2)n1 512393540 SJJRSYCGECIPHW-IBGZPJMESA-N 434.500 1.465 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)NCc3ccccc3)CC2)c1 513784353 PRJINYCKZBMSKT-UHFFFAOYSA-N 426.542 1.266 30 10 IDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 520064426 HMQKCRGBVNKPMC-IBGZPJMESA-N 439.581 1.981 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)cc1 531561305 MEBOSZTXIVIBTM-CYBMUJFWSA-N 426.494 1.259 30 10 IDEE CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542220897 MACTZSURRFHPAI-UHFFFAOYSA-N 425.539 1.302 30 10 IDEE Cn1cc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@H]3CCCO3)CC2)cn1 555387016 UBWPGDRESMGLDI-OAQYLSRUSA-N 448.531 1.968 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 608793751 HXMPSAVPCRXMRB-SFHVURJKSA-N 443.552 1.198 30 10 IDEE CN1CCCC[C@H]1CN1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609399546 FAQJQINKKIHFLN-NRFANRHFSA-N 425.581 1.734 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 670228111 BMKFHMSPEMWODX-OAHLLOKOSA-N 439.586 1.191 30 10 IDEE C#CCN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)[C@H]1CCS(=O)(=O)C1 729332677 UPKDKMJWUBUNDI-IBGZPJMESA-N 435.505 1.957 30 10 IDEE CC(C)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730145070 WCFOKGKIYYZWQK-KRWDZBQOSA-N 433.578 1.831 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(F)c1OC 730810893 UONBGIXGDHTQMJ-NSHDSACASA-N 440.312 1.408 30 10 IDEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 744787302 CGPQMIJROVNPSE-CQSZACIVSA-N 430.486 1.244 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)cc1C#N 747495072 IFBSYLHSUHLFAE-UHFFFAOYSA-N 435.419 1.814 30 10 IDEE N#Cc1cccc(CC(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 750431689 VZUWLVHOKCMWKR-UHFFFAOYSA-N 430.482 1.744 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cc1 751624346 VDDZDIOUEBZLBW-INIZCTEOSA-N 433.511 1.945 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)ccc1F 763775659 ATAVLEJJJHITCK-DOTOQJQBSA-N 438.477 1.848 30 10 IDEE CCN(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 764517348 LTYRFDANJHWSAU-UHFFFAOYSA-N 430.324 1.846 30 10 IDEE CN1C(=O)C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(Cl)cc1 768943613 UCMTYBDOVFQFQB-XVUIRBQESA-N 431.880 1.437 30 10 IDEE COc1cccc([C@@H]2[C@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCN2C2CC2)c1 779351389 LAJHIJKYBAIJIU-PVEBNWGPSA-N 439.516 1.799 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C(F)F)C1 808760158 BYTZODAJPBIOJM-CQSZACIVSA-N 430.477 1.913 30 10 IDEE C=CCn1c(-c2ccncc2)nn(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1=S 811789123 RGZOGUYDSANSHG-UHFFFAOYSA-N 437.595 1.434 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 812182280 GJZSENRROBICSM-HZPDHXFCSA-N 434.541 1.877 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=NNC(=S)Nc1cccc(Br)c1 814787145 WTKSANREIDJXNG-UHFFFAOYSA-N 431.341 1.621 30 10 IDEE Cc1cc(-n2c(C)cc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCCO4)c3=O)c2C)no1 837874674 HESYCVODHQQXFJ-GOSISDBHSA-N 435.509 1.819 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917356578 MGIVHRXFDVBWMP-UHFFFAOYSA-N 433.537 1.339 30 10 IDEE Cn1ccn2c(CCNC(=O)c3cccc(COc4ccccc4C#N)c3)nnc2c1=O 1133845109 WYEIFZLHHAHILF-UHFFFAOYSA-N 428.452 1.851 30 10 IDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 1142813287 BENPEFZDJWMBOU-NRFANRHFSA-N 441.488 1.957 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C2)c(=O)nc1O 1180989104 ITJHFVWGQTZQKB-UHFFFAOYSA-N 441.245 1.466 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1220558823 CLLMPLGINAIVBE-UHFFFAOYSA-N 431.493 1.419 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1286323547 KKLNVAQUALHVPO-SJORKVTESA-N 439.582 1.418 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286340255 WGVKHCLLLXFYIB-NRFANRHFSA-N 443.529 1.793 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1OC 1286369589 TWCKPPGHHQOMND-UHFFFAOYSA-N 445.483 1.722 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(CCCCC2)O1 1286399216 BOCXOFGEDKBHBP-MSOLQXFVSA-N 433.578 1.843 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286425334 XVVJGHOKAHYXQV-LJQANCHMSA-N 441.557 1.841 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nnn(C)n1 1286425497 ZWICBTQJMVEBHF-UHFFFAOYSA-N 434.504 1.777 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286479687 IZFVHJPAWFMDBH-DLBZAZTESA-N 426.487 1.421 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1286493317 NNKIGEWEPYSEPI-MJGOQNOKSA-N 428.581 1.621 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286534811 DBNHQEXNXISLQT-ZIAGYGMSSA-N 428.331 1.722 30 10 IDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1286615098 GAPYNZKDRLATDV-UHFFFAOYSA-N 432.550 1.213 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286621852 JNTMDMDGQQODKO-CVEARBPZSA-N 427.933 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1286786946 MLXPCDBHFMRZEU-UHFFFAOYSA-N 437.504 1.999 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1286787963 NNQNYNAZSASCLJ-HSZRJFAPSA-N 449.563 1.884 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286820041 CLZACMIUKXTCCA-KRWDZBQOSA-N 439.582 1.078 30 10 IDEE Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cnn1CC(C)C 1289228047 FBQNQICUSPNRIG-LSDHHAIUSA-N 436.586 1.836 30 10 IDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCOC1)S(C)(=O)=O 1295810882 PETJIPONQQXINE-SFHVURJKSA-N 432.550 1.713 30 10 IDEE C[C@H](NC(=O)CCC(=O)N[C@H]1CCN(O)C1=O)C(=O)c1ccc(Br)cc1 1298424797 GKDGGIKNNXVKFW-GWCFXTLKSA-N 426.267 1.023 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299328460 YFDVBHNBXOBOIX-UVTIVQHFSA-N 430.509 1.491 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1300487014 DKDJPOFMJPPDFH-IBGZPJMESA-N 437.525 1.507 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300496103 OCGCFEYZRFOLLM-CVEARBPZSA-N 446.520 1.818 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1300658484 WWXGGJYXWHRZLX-INIZCTEOSA-N 449.529 1.106 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1300857649 PSFAGVNUWCBOCJ-OALUTQOASA-N 447.561 1.739 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301009594 APRGFLVSDDEAMT-UHFFFAOYSA-N 444.989 1.517 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1301040440 FSYPQQYOGAYDHQ-OAHLLOKOSA-N 441.985 1.914 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1301045415 UINMRSWEGQGFCL-QAPCUYQASA-N 445.973 1.370 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1301490142 LAXSOVGSOJYOFA-CQSZACIVSA-N 446.939 1.966 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1301506726 PWIBYQONVPGBRZ-WJOKGBTCSA-N 438.557 1.940 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCn2nc(C)nc2C1 1301517805 CFKWZGMBJCCQKN-UHFFFAOYSA-N 438.492 1.088 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301585456 BEIKZTCXYSAWBL-RBUKOAKNSA-N 438.594 1.996 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301612669 OUHWEWQRSLTFRT-MOPGFXCFSA-N 448.637 1.834 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1302480679 UHSJKWYAISMFPW-DAYGRLMNSA-N 426.518 1.038 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1303302088 BGRMIYVCDAPPQK-OAQYLSRUSA-N 427.528 1.941 30 10 IDEE CCO[C@@]1(c2nnc(N(CC)C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1314092222 IOBSMSLHISCCDI-APOCOGJHSA-N 432.525 1.691 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)NCCN3CCc4ccccc43)CC2=O)cc1 1318156765 LDYOVRBJTUBYCE-LJQANCHMSA-N 432.480 1.633 30 10 IDEE C[C@@H](NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)NCC(F)(F)F 1323133745 BRBVWTQIDODPIE-RXMQYKEDSA-N 426.264 1.629 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCN(CC)CC1 1358900468 LJWHAKDDIZFVQW-CGXNFDGLSA-N 432.613 1.734 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1358971032 FUKFGHGGSFBMPS-UHFFFAOYSA-N 437.529 1.347 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1358978352 KJLXKVATVMENOB-KKSFZXQISA-N 444.582 1.803 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 1358993175 HLMVMVFAPKIESJ-UHFFFAOYSA-N 446.559 1.441 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@H]2COCCO2)n1 1359027338 FYVDUKRRWZXHBO-GOSISDBHSA-N 425.493 1.171 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCS(C)(=O)=O)CC1 1359039047 VHHXBTIPXBTVTC-UHFFFAOYSA-N 447.561 1.056 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ncnn2-c2ccccc2)CC1 1359040764 FZUWMAHJCTUYDX-UHFFFAOYSA-N 432.532 1.996 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359061703 JZNZJLHITQVLQL-WFXMLNOXSA-N 438.594 1.925 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359188181 IFILGJOFKSYITC-GOSISDBHSA-N 444.580 1.655 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359331938 KWSREZPTBIIVPA-HKUYNNGSSA-N 437.610 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359333948 PARZZSXVGZTCOO-IPMKNSEASA-N 431.562 1.583 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCc2nnnn2CC1 1451692386 LDYXSCZTSXHYEQ-QFBILLFUSA-N 437.504 1.900 30 10 IDEE COc1c(F)cc(CC(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1S(N)(=O)=O 1454239509 INTGKGFTCPANKH-UHFFFAOYSA-N 446.504 1.999 30 10 IDEE CN(Cc1ncnn1CC(F)F)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1459743652 QNTLWRIHQBYKAO-CQSZACIVSA-N 431.403 1.278 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)[C@H]1c1nccn1C 1459970131 XBPCTSQKIISEDR-HOTGVXAUSA-N 432.278 1.981 30 10 IDEE N#Cc1cccc(-c2nnc(CN3CCN(S(=O)(=O)NCc4ccccc4)CC3)o2)c1 1460358486 FZBYORQWYCKQPC-UHFFFAOYSA-N 438.513 1.760 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1)C(=O)OC 1463600502 VKWFWUMEIGLLTK-CYBMUJFWSA-N 425.381 1.515 30 10 IDEE C=CCNC(=O)c1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1463907814 OAFFMDZOAHVQPO-INIZCTEOSA-N 439.534 1.869 30 10 IDEE CN(CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)S(=O)(=O)c1cccs1 1466195718 HUHPMPSHODZNSN-UHFFFAOYSA-N 445.519 1.235 30 10 IDEE N#Cc1cn(CCC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c(=O)nc1O 1466656946 BCUDZEXZJWHACA-UHFFFAOYSA-N 445.785 1.863 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1470619961 IVZPINJNUDGHRS-MRXNPFEDSA-N 435.496 1.726 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2cccnc2N2CCC[C@@H]2C1 1471267496 VFIAHPGGMKIHFO-MAUKXSAKSA-N 425.514 1.631 30 10 IDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1471633324 CCNXBXQALOBORO-UHFFFAOYSA-N 442.277 1.147 30 10 IDEE C#CC1(O)CN(C(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)C1 1472246660 NGTSFVUQSCLGLH-QPEQYQDCSA-N 437.340 1.857 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1475716406 BWRQOBJYHDFLKE-UHFFFAOYSA-N 431.562 1.809 30 10 IDEE CC[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)Oc1ccccc1C(F)(F)F 1478090551 FNEJPRHEIQVIOG-CYBMUJFWSA-N 439.394 1.996 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)CC2)cn1 1478383926 GAFPSAYCCXWLEP-UHFFFAOYSA-N 440.529 1.525 30 10 IDEE Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C)n2Cc2ccc(C#N)o2)CC1 1492604393 QLBRTABXOAZDOH-UHFFFAOYSA-N 426.502 1.919 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1503277405 KURSJEUEZJMCDL-LJQANCHMSA-N 438.504 1.779 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCNc1ccccn1 1505083328 XKQVNDVHUAAHHQ-SCTDSRPQSA-N 427.509 1.628 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC[C@@H]2CCOC2)c1 1505313710 DXRCYUPQELTBGX-AZUAARDMSA-N 438.532 1.962 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507628048 MVMLAYNTYOMDTN-ROUUACIJSA-N 431.562 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccco1 1507644545 KAMFAPVTZDLZFE-JOCHJYFZSA-N 428.456 1.494 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1507720975 KPSUDKFLSLHDOQ-UHFFFAOYSA-N 443.573 1.534 30 10 IDEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507756081 YCAWBOOINARKBO-YLJYHZDGSA-N 430.622 1.901 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN(C)S(=O)(=O)CC 1507770873 RNLPMAGRYBYHHP-HXUWFJFHSA-N 436.582 1.064 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507797798 MOIRURUJQQATAL-ZIVNCQHPSA-N 434.537 1.514 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507868996 LRJBSKYSZVTJQD-UHFFFAOYSA-N 435.941 1.907 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1508070687 BFTQXCNSXYMZPP-IBGZPJMESA-N 445.612 1.667 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1508142301 SCNMRRBGWIXSER-FUHWJXTLSA-N 447.536 1.963 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508142886 BUFXCDWSPPZWME-LJQANCHMSA-N 443.573 1.589 30 10 IDEE C[C@@H]1CCCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1512169836 HBOOSQZHWUBNIJ-GOSISDBHSA-N 437.548 1.929 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1517453048 OUYBKXOVGFWYDS-OAHLLOKOSA-N 435.488 1.544 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CCN1S(C)(=O)=O 1520816416 GZLJDAZAUWGMFK-QILLFSRXSA-N 448.524 1.729 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1539015414 PYZULJYJRYFYLM-FUHWJXTLSA-N 428.562 1.682 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539053512 UDWNQXHEGZAARF-IAGOWNOFSA-N 433.582 1.809 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@@H]1C 1539154536 PTWSSNXRXVMZFF-INIZCTEOSA-N 445.593 1.337 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539232067 ZBUIIYFZOJERMD-GUDVDZBRSA-N 435.594 1.488 30 10 IDEE C#CCN1CCN(c2nnc(C3CC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1539446052 PBERISFPBRIAOB-UHFFFAOYSA-N 434.591 1.259 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1539526511 PKNZDZQRAAWZKD-SFHVURJKSA-N 443.577 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCS[C@H](C(C)C)C1 1540907412 WCVKJEQOYWHMDW-INIZCTEOSA-N 441.623 1.579 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1541880502 NIFTXRXNDVZRRV-JKSUJKDBSA-N 429.525 1.712 30 10 IDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1554593477 CHZJBFLNGNPNAI-MRXNPFEDSA-N 446.515 1.672 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1555558272 QECAMZJIHLRYAK-IBGZPJMESA-N 433.601 1.565 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1558014998 CCPGSXQEZGNGOT-HNNXBMFYSA-N 439.497 1.714 30 10 IDEE C#CCN1CCC(NC(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)CC1 1558423350 SHIOICLEWRPHQG-UHFFFAOYSA-N 430.553 1.986 30 10 IDEE C#CCC1(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CCOCC1 1561938684 YCZINBYDHQDQBX-RBUKOAKNSA-N 436.530 1.514 30 10 IDEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1564530500 DGSTWRXFHCBAHQ-MGPQQGTHSA-N 435.554 1.752 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CCO2)cc1 1565331736 QUSINNWWTIHTEY-FQEVSTJZSA-N 435.484 1.074 30 10 IDEE N#Cc1cccnc1NCc1cccc(C(=O)NCCNS(=O)(=O)c2cccnc2)c1 1566612229 QKSWSEOQLNRZTQ-UHFFFAOYSA-N 436.497 1.669 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)nn1C 1584808093 ZREPHRFSLXJURJ-GOSISDBHSA-N 445.277 1.768 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588044744 BSNWZYAUPCTBOM-CQSZACIVSA-N 429.531 1.175 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588049590 IYCMHPOLNOMNEU-KRWDZBQOSA-N 426.502 1.620 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1588083420 GXQHUZQHSSZRJR-QFBILLFUSA-N 446.552 1.403 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2O)CC1 1588199448 PEKZKQNRXKBJQH-UHFFFAOYSA-N 427.526 1.403 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1588646094 GRKSELUAAVIHHQ-VXKWHMMOSA-N 439.560 1.942 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(=O)COC)CC1 1593799696 BEENGCHIUKDJCC-UHFFFAOYSA-N 426.949 1.680 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595593538 FQMDBXIYXOSNBY-ZWKOTPCHSA-N 440.548 1.841 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595784125 CZIIYYSKIQBRQN-OAHLLOKOSA-N 431.522 1.949 30 10 IDEE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1597751583 DHBIQDKHVVWPIF-SFHVURJKSA-N 432.546 1.475 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1618626272 UEFUJWPFWJWWPG-ZFDMEJTGSA-N 429.525 1.064 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F)c1cc[nH]n1 1618657178 FWCYPHPUXJBZDZ-KRWDZBQOSA-N 428.367 1.260 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)C1 1620667677 ZKHQJFPQWRMSTO-UHFFFAOYSA-N 438.528 1.523 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)n[nH]2)c1C 1623301171 FLKQKGMVCNGQFB-MRXNPFEDSA-N 432.550 1.021 30 10 IDEE CC[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccs1 1627482710 BLRMCFPJJLBRGB-CJNGLKHVSA-N 448.570 1.776 30 10 IDEE CC1(C)NC(=O)N(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1627867342 XPMWQGJKFBNRPE-CYBMUJFWSA-N 431.880 1.401 30 10 IDEE C#CCN(CC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1628523991 YLJQHXASSVKBKA-HNNXBMFYSA-N 436.534 1.929 30 10 IDEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)[C@H]1CCS(=O)(=O)C1 1630830978 WEJIUYZVVCCICZ-INIZCTEOSA-N 438.552 1.811 30 10 IDEE C#CCN(CC(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C 1632010022 UCKTXLOAMXFXCF-UHFFFAOYSA-N 444.532 1.790 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1633208563 KFQXXPGDLFPCOR-AWEZNQCLSA-N 437.497 1.409 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCc1ccc(C#N)cc1 1634135937 JXWKFUAHHAEIBZ-RCCFBDPRSA-N 433.530 1.845 30 10 IDEE COc1cccc([C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCN2)c1 1634879729 DPPRIORCCYBTIG-QRWLVFNGSA-N 428.514 1.407 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1635454020 ZXYJGZRLHQHKQF-SJORKVTESA-N 432.525 1.728 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n[nH]2)C1 1636512283 AFFCWGAKZPHACJ-PJSUUKDQSA-N 449.533 1.144 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1652919766 POZJWMFWEJFSBZ-MRXNPFEDSA-N 431.470 1.437 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1653345905 RQJTWHKRWPFCQL-UHFFFAOYSA-N 432.468 1.447 30 10 IDEE C=CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1654509137 BISYUGIVUKJJBS-UHFFFAOYSA-N 429.564 1.207 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 1661771362 PHABIIOZQUCVHY-UHFFFAOYSA-N 435.880 1.387 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1689893100 UIEKAKITSWSOAB-KRWDZBQOSA-N 446.552 1.844 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1690052605 MJHCAKSHROMOGM-UHFFFAOYSA-N 430.512 1.198 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690471086 UAHBYBHIHUDPQV-MRXNPFEDSA-N 438.598 1.693 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690674807 GGJSQMMMJRYYRK-GOSISDBHSA-N 440.552 1.033 30 10 IDEE CCCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1695265236 BIUKNBMCCFBSIY-IAGOWNOFSA-N 425.493 1.580 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1696579922 DNSHTRJDQAYILI-SFHVURJKSA-N 436.520 1.241 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705567791 ZQWJDNSAQIEAED-MMOPVJDHSA-N 436.578 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCOCC1 1705576037 DOYJMBJOXMTLNY-UHFFFAOYSA-N 441.557 1.695 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCOC 1705596157 VCBZCNNJHHYGBO-UHFFFAOYSA-N 434.500 1.318 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1705624415 ANUVHABVXDUIKK-UHFFFAOYSA-N 437.504 1.634 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705635122 RTMWIZMGMPHGOD-UXHICEINSA-N 432.613 1.878 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705641081 PIWYGTMSXBOKQN-SFTDATJTSA-N 437.592 1.518 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705752932 LKRPTZFUMBSALY-LBPRGKRZSA-N 442.929 1.228 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](OCCOC)C1 1705909221 QJJSNNIMXRIJBT-ZHALLVOQSA-N 435.569 1.741 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCCCC2=O)C1 1705914084 GFWUREIMAVISEQ-SFHVURJKSA-N 432.569 1.990 30 10 IDEE CC(C)Cc1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1706403338 CXGLDQMCZJNKNJ-VXPUYCOJSA-N 441.536 1.110 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1706748907 MDODIFVXCHBUQT-OAHLLOKOSA-N 429.525 1.855 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(COCC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709467008 FEKYTHVRCHHNCW-HNNXBMFYSA-N 441.536 1.902 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1722389087 OSZMBRHZQCROHO-FQEVSTJZSA-N 430.512 1.775 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnnn1C 1722400321 MUSIOGCBTVMRFM-UHFFFAOYSA-N 430.520 1.092 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1722440768 JFNORBSSISVTTK-DLBZAZTESA-N 426.487 1.769 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@H]2C)CC1 1722441559 SMUVKCCRUAJPFK-OAQYLSRUSA-N 438.576 1.376 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722534764 REWNHYKZPWRDSC-UHFFFAOYSA-N 435.554 1.188 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1)C1CC1 1722651225 RRYSWXOOZWDENY-INIZCTEOSA-N 430.534 1.737 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722694713 FMGFBVMLZLUNQW-UHFFFAOYSA-N 437.548 1.974 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](SC)C1 1722727991 SGFXEEAQEAJVQT-LSDHHAIUSA-N 427.596 1.552 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1728367928 ZGLQLXLLZBEUKA-PWIZWCRZSA-N 440.548 1.907 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCCS1(=O)=O 1730831686 QDYNHNSQCSVGRO-MRXNPFEDSA-N 440.570 1.168 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1740551792 LXEWLAAYGCBNLB-HQRMLTQVSA-N 445.589 1.950 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1740633461 IYLQDPVFSXMXAC-UHFFFAOYSA-N 442.317 1.639 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1740637757 DEIPOYZELFDTER-GOSISDBHSA-N 446.511 1.724 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1740671155 AHHAHGVKYABNRH-LPHOPBHVSA-N 447.561 1.172 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1740757775 RMBTVIPOCFNABD-YLJYHZDGSA-N 426.521 1.792 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740763154 ZBEFSAGTAAVSBG-KONPQCLYSA-N 437.566 1.224 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCC)CC1 1740826200 ZHFQFTDLMHGWTR-KRWDZBQOSA-N 427.571 1.584 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740965007 KUCRYWPGLZJIPS-FOUBCARRSA-N 433.553 1.482 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740966503 ZFWBFJVWFVMCCR-QFIPXVFZSA-N 432.569 1.295 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC2(C)C)C1 1740981914 RDIYXKXLSLXPHL-GVDBMIGSSA-N 439.582 1.438 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740999900 QZUAGNNJIWRJBS-MRXNPFEDSA-N 439.549 1.791 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1741002458 INYXIUUBSXARKY-CQSZACIVSA-N 433.625 1.083 30 10 IDEE CC(C)N1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741628198 OXZXDGQONTZJOY-QZQOTICOSA-N 427.553 1.678 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(=O)NC(C)C)cs1 1742591194 ZUXVLCWGMFQZCB-SFHVURJKSA-N 442.593 1.725 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1743196325 BMDIDASOCBAEFU-HNNXBMFYSA-N 442.545 1.308 30 10 IDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)cn1 1746353291 ADBQDRLSDRBVMD-UHFFFAOYSA-N 434.504 1.552 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCC#C)CC1 1748710686 XRJHUIGUMPMWKQ-UHFFFAOYSA-N 436.516 1.775 30 10 IDEE C#CCCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1748726971 LHLPKLGYEXZCBM-QFIPXVFZSA-N 430.553 1.728 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1748915577 YIKOUXCGKSXMLY-UHFFFAOYSA-N 435.326 1.744 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1749033027 YCKNPGGZAPUWCH-UHFFFAOYSA-N 426.550 1.664 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1749650188 MXEKIANDWGSOIT-KRWDZBQOSA-N 446.939 1.950 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750680311 DFXOKCAZPYNCSO-HWEPQYAMSA-N 444.536 1.560 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1760176070 YOFZXRXTCKYUDD-QZTJIDSGSA-N 443.573 1.785 30 10 IDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760180924 NCJPUBZVMZSEFK-MOPGFXCFSA-N 443.573 1.583 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(N2CCCCC2=O)CC1 1760525724 OQHCUIYTZADPPB-UHFFFAOYSA-N 437.548 1.547 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCNC(=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 1760531080 BXLISFBXEQVTHR-HSZRJFAPSA-N 441.532 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1nncn1C 1760557001 WSTVPHKDABVCHT-QGZVFWFLSA-N 442.549 1.335 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760863514 CZGDLCWHQDJYCI-QFIPXVFZSA-N 433.520 1.735 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1761258889 HAIVHCNXGRHRSP-MRXNPFEDSA-N 446.519 1.241 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)n1 1762457662 BNMQTIWMQMJSFB-FXAWDEMLSA-N 430.582 1.306 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1766819813 PMCIQNKRFPQDFE-UDJKBAMHSA-N 425.493 1.805 30 10 IDEE CNC(=O)CCCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1767744959 HGBYGFIDFMLKQK-OAQYLSRUSA-N 430.509 1.794 30 10 IDEE CS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1771366759 AKHIDMKJBWXJBQ-SFHVURJKSA-N 444.561 1.762 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1sccc1S(=O)(=O)NCc1ccncc1 1772789718 DPPVHGFREYXKDE-UHFFFAOYSA-N 443.462 1.990 30 10 IDEE Cn1cc(C(=O)ON2C(=O)c3ccccc3C2=O)c(CN2C(=O)c3ccccc3C2=O)n1 1772791297 AVBFEFBZOWQZIY-UHFFFAOYSA-N 430.376 1.584 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1772888521 HSDDQYXXWNUIKA-RHSMWYFYSA-N 427.486 1.804 30 10 IDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)CCCN1CCS(=O)(=O)CC1 1850569219 STDKMSVORJHXSY-UHFFFAOYSA-N 441.351 1.506 30 10 IDEE CN1C(=O)C[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)[C@@H]1c1cccs1 1851895303 UJRINCYIHFUKPJ-FXAWDEMLSA-N 439.541 1.900 30 10 IDEE CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C1 1852129424 KPFAZOGOEQAVCZ-ZDUSSCGKSA-N 427.408 1.526 30 10 IDEE Cc1c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc(F)cc1 1852881713 FRJMUBOCLAKDFZ-UHFFFAOYSA-N 435.463 1.961 30 10 IDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1853758647 KHHMKZWTVSEXMW-QZTJIDSGSA-N 436.578 1.191 30 10 IDEE Cc1ccc(C)c(OCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857067576 ZHBALEBKHGOPAQ-SFHVURJKSA-N 433.530 1.623 30 10 IDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1857327191 QOOBRVMJXSBJDX-YCRPNKLZSA-N 434.899 1.897 30 10 IDEE C[C@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCS1(=O)=O 1857339414 LRRSLQCKMMEYKD-PXNSSMCTSA-N 431.558 1.765 30 10 IDEE COc1cc(C)c(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1C 1858318993 CEXIQBLIBUWSRV-QGZVFWFLSA-N 449.554 1.925 30 10 IDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCC3(CC2)OCCO3)CC1 1868782105 DBBFZUXIQVXVPD-KRWDZBQOSA-N 432.546 1.506 30 10 IDEE CC(=O)N1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868783295 QIXSCOAJKZQFQE-MAUKXSAKSA-N 431.562 1.220 30 10 IDEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)OCCO2 1869930333 XVDBXYLSVWZMAJ-OAHLLOKOSA-N 439.559 1.212 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2C)c(=O)cc1CN(CCO)CCO 1870335464 XVFSJNWGBJVIPX-UHFFFAOYSA-N 429.517 1.455 30 10 IDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575486 DLMMXOWAHGKVLG-UHFFFAOYSA-N 447.883 1.962 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562099 NBWTVUXOMIGZKX-UHFFFAOYSA-N 444.580 1.883 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874273453 FWWUVKYQRVVUIH-UKWOGYLFSA-N 432.506 1.263 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 1984991271 VIQUOYQEVNQQKC-JYJNAYRXSA-N 425.526 1.780 30 10 IDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2011760708 ZSRHHHYPGRIFAP-CYBMUJFWSA-N 435.443 1.440 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060637445 LEKJLZRRQGPJJF-CBBWQLFWSA-N 440.321 1.857 30 10 IDEE NCC#Cc1cc(F)ccc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2146010185 MJDUNZHNTIFFQK-UHFFFAOYSA-N 429.473 1.954 30 10 IDEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255644299 HPYUNIOFMTZHRP-OAHLLOKOSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255843960 OIOLTKLIFQLPDX-HNNXBMFYSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256061379 KOPOVLRWAXSIOQ-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2256062933 MZQFECZXHVIZCU-CQSZACIVSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256620117 FECXCJNMLJMUCD-GJZGRUSLSA-N 433.314 1.690 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2258231985 WGCLMWJYBWWTMR-UHFFFAOYSA-N 427.232 1.664 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267006660 PCKMLZYBKOPBEF-KBMXLJTQSA-N 446.357 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267107065 IRMDEKUFBZJPFR-CQSZACIVSA-N 449.361 1.491 30 10 IDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267292767 HVKYYIJWTLYPEA-UHFFFAOYSA-N 447.301 1.406 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2267826747 LTQYWCLDACFDQB-QFIPXVFZSA-N 447.341 1.812 30 10 IDEE C[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)N1CC(NC(=O)OC(C)(C)C)C1 2268719045 XRJZVAKMWHIFON-CQSZACIVSA-N 446.357 1.917 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1cc(F)cc(C#N)c1)NC(=O)OCc1ccccc1 2286026973 OIHYXGAYCDILGS-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)[C@H](C)C1CC1)NC(=O)OCc1ccccc1 2286056103 RZUNNUKXABGJIW-CRAIPNDOSA-N 437.518 1.798 30 10 IDEE N#Cc1ccc(NC(=O)Cn2nc3c(N4CCc5ccccc5C4)nccn3c2=O)cc1 65151570 FJMYWXNJNMUHCO-UHFFFAOYSA-N 425.452 1.964 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CC1 438700039 VJKKTIRXDNHJGD-UHFFFAOYSA-N 440.529 1.996 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(=O)NC4CC4)c3)CC2)cc1 438956080 DJJJLABGXVJJRI-UHFFFAOYSA-N 438.509 1.597 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(c3nc(CC(=O)N4CCCC4)no3)CC2)cc1 445351351 LCLVOIXAVIZFRF-UHFFFAOYSA-N 429.502 1.674 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CCOC)C(=O)C1 460947118 DWRFNTIIPKTDPW-UHFFFAOYSA-N 447.561 1.610 30 10 IDEE CSC[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 461299339 VXWNBWJBCODKPH-IXDOHACOSA-N 438.513 1.984 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482563585 XBPFYQPQEAPXMJ-ZDUSSCGKSA-N 428.539 1.050 30 10 IDEE COc1ccccc1N1CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 482808661 DCQAYJCXOCGPSD-DOTOQJQBSA-N 428.514 1.629 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 508998865 FMZNWWMQAZIIAW-PMACEKPBSA-N 438.532 1.480 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 511983340 PELVDWIZWUDTEV-OAQYLSRUSA-N 445.541 1.891 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 521002076 WLLCESTYNDMNHG-QRVBRYPASA-N 447.557 1.651 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 522338174 UXJYMYMCXMPVPA-UHFFFAOYSA-N 431.489 1.970 30 10 IDEE CN(CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1cccs1 544885532 BVRPKNFVOJSVEM-UHFFFAOYSA-N 434.547 1.167 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCCS(=O)(=O)Cc3ccccc3)CC2)n1 545469655 WNMAZTSCLKWCJI-UHFFFAOYSA-N 427.530 1.790 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 554932500 VYRXSJVZUJTLDP-SFHVURJKSA-N 442.520 1.840 30 10 IDEE C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccc(OCC(=O)NC2CC2)cc1 585721689 SPYHPBRXFSEEGO-AWEZNQCLSA-N 438.459 1.848 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@@H]1CCCO1 590915192 WYNMBTKXUHRZQX-HNNXBMFYSA-N 432.571 1.273 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(F)cc1 603787492 XMJBUSBEIFEWJU-UHFFFAOYSA-N 437.496 1.612 30 10 IDEE CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 609516554 ROPBEBBIKWHEFQ-UHFFFAOYSA-N 429.502 1.053 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 669806585 XCIYOSKJGUXXTR-IRXDYDNUSA-N 425.555 1.050 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)ccc2F)c1=O 677123752 MXDCNEIXUJZCJJ-UHFFFAOYSA-N 447.919 1.663 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2=O)c1 725745766 HBRLIAJUSBCBPQ-AWEZNQCLSA-N 442.497 1.046 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2nnnn2-c2ccccc2)C1=O 730443326 NCVUZIXNLOEZQN-KRWDZBQOSA-N 446.496 1.802 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nncn2C2CC2)C1 731853778 FLPIDDKIVQUYEU-AWEZNQCLSA-N 428.518 1.448 30 10 IDEE COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 732496479 WOUFCCJYHCLIRO-UWJYYQICSA-N 446.463 1.818 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732696762 OVSCKKXZVIPRDQ-MRXNPFEDSA-N 435.550 1.930 30 10 IDEE NS(=O)(=O)c1cccc(N2C[C@H](C(=O)OCC#Cc3ccccc3Cl)CC2=O)c1 747065281 ORWDJADDLFFWFW-OAHLLOKOSA-N 432.885 1.935 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)cc1C#N 747498154 MFUQXCWZSLXOII-UHFFFAOYSA-N 436.468 1.603 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 750432516 FPXOHUVQFYEEJM-NRFANRHFSA-N 449.463 1.155 30 10 IDEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755545441 IAKOWLXPZHMFJS-ZBFHGGJFSA-N 430.461 1.595 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758087929 BAQNADSXNNOFFJ-UHFFFAOYSA-N 430.873 1.134 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767726528 SSWAMWPOAYSDGA-CABCVRRESA-N 431.507 1.052 30 10 IDEE CCC1(CC)CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC[S@]1=O 769632404 KXHGIBFKBVXWDV-PGGUUEOZSA-N 425.576 1.653 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nsc(N(C)C)n1 771304456 ASCHMIHCWKYFJI-CYBMUJFWSA-N 437.547 1.801 30 10 IDEE N#CC1(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCN(Cc2ccccc2)CC1 778447534 WESQNDUIBBKFPQ-IBGZPJMESA-N 425.514 1.391 30 10 IDEE COc1c(C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cnc2c1cnn2C 784842797 ZJXYKGYXFKBKRU-UHFFFAOYSA-N 439.375 1.986 30 10 IDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](O)c1ccc2c(c1)OCO2 787747571 UWFHBQVIOJMMSG-QUJCMNEKSA-N 431.470 1.192 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)n1 788370828 ZTGIRZXTUJZZMO-NRFANRHFSA-N 440.460 1.298 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccsc1 790433756 OAZDOCDJJADADB-UHFFFAOYSA-N 433.518 1.413 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccsc1 790434823 VNMPGUQGDXZSKR-UHFFFAOYSA-N 429.523 1.599 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 794609927 WBWIMAVRTYINBB-HNNXBMFYSA-N 448.529 1.726 30 10 IDEE COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798748263 UEFJHKUQLDZXFQ-QMMMGPOBSA-N 426.216 1.986 30 10 IDEE C[C@H](Sc1nncn1C)C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809125085 FAGAOLJSTHHJIS-ZETCQYMHSA-N 448.299 1.574 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)cn1 1084348380 CQJPVOQUOQZRQB-UHFFFAOYSA-N 445.509 1.020 30 10 IDEE C[C@H](C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C)n1cnc(C#N)n1 1130700836 INFOYXDYXROOTR-NTZNESFSSA-N 444.414 1.091 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](n3ccnc3)C(F)(F)F)CC2)cc1 1136149210 AYSISEDDFYQJBV-INIZCTEOSA-N 441.435 1.781 30 10 IDEE CN1CCN(C2CN(C(=O)[C@@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C2)CC1 1139589619 HXHWIWVHIOGGSC-NRFANRHFSA-N 439.560 1.851 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(I)cc3O)C[C@H]1CS(=O)(=O)C2 1157893545 LVYARODJPHAECH-LKFCYVNXSA-N 432.239 1.007 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1162112987 BWRNEJNDIYZRGR-JXFKEZNVSA-N 438.509 1.752 30 10 IDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1178399983 FLRCVMRMLNQSDL-QGZVFWFLSA-N 440.525 1.696 30 10 IDEE C#CCN(c1nnc(CC)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1286395009 QDHBJLWMHGORHQ-QGZVFWFLSA-N 429.546 1.723 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1286448358 SJJBYJHLLICAFC-QGZVFWFLSA-N 432.546 1.900 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1286480278 UTKJGJXLCPOQAD-WOJBJXKFSA-N 427.597 1.495 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286559845 BATHNPZIONFMOP-SZMVWBNQSA-N 434.566 1.673 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286615460 NIRHVBBIGLAPHI-GOSISDBHSA-N 441.536 1.543 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286818336 HDWHPOFHQCRJCG-QGZVFWFLSA-N 448.593 1.627 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C 1296009882 IVMPAPMGLZBVGF-YQVWRLOYSA-N 437.548 1.926 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1298364544 AWLLEXDAHSKRFH-UHFFFAOYSA-N 425.518 1.740 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)C2CC2)c1 1300332780 NVPSKWLWKCYGQP-OXJNMPFZSA-N 449.559 1.768 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccnc1C 1300527981 NGXSSUUWROTODL-UHFFFAOYSA-N 438.495 1.606 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2([S@@](C)=O)CCC2)CC1 1300720027 ZKRTXEBZBGYOCU-WJOKGBTCSA-N 441.561 1.002 30 10 IDEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCOCC1 1301123099 DVQMMDHOXYGRHN-UHFFFAOYSA-N 429.546 1.829 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301223605 ZMEATPRCSPTNFO-AEFFLSMTSA-N 449.581 1.305 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC2(CC2)C1 1301567598 KHIQZIUKXWNFEM-UHFFFAOYSA-N 430.534 1.907 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301952159 HTFREESVZBCLMT-DRMAHVMPSA-N 440.570 1.212 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1303394408 AMZASJCVNSTKKU-ROUUACIJSA-N 435.546 1.994 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)CNc2ccc(C#N)cc2)C1 1303451906 ABRZRTNBZRAEQZ-KRWDZBQOSA-N 436.534 1.511 30 10 IDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1 1303721359 CVMFTRJKXXGKTB-JFIYKMOQSA-N 431.518 1.376 30 10 IDEE COc1cc(CNC2(C(N)=O)CCS(=O)(=O)CC2)ccc1OCc1cccc(C#N)c1 1308020717 XJKKJNVKHIGFCX-UHFFFAOYSA-N 443.525 1.668 30 10 IDEE COCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1316019950 LTLKCCMMZLLCDH-SJLPKXTDSA-N 426.525 1.933 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCN(C)C1 1316085786 GUCHVLDYZIOJPP-QHCPKHFHSA-N 448.531 1.326 30 10 IDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CC1 1322602832 WOEPNRCLEOYGMC-HXUWFJFHSA-N 437.544 1.314 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1358949122 SUVDWCIHDMOGOB-JOCHJYFZSA-N 432.569 1.529 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1358965810 BMRJIKUBXMONFD-INIZCTEOSA-N 433.509 1.470 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1359024196 HDJJQOGZEAKKPO-GOSISDBHSA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1359039454 JUHBGQRIWYKWRH-UHFFFAOYSA-N 442.539 1.594 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359102063 VVTUWJHFNOBPTG-DYESRHJHSA-N 443.552 1.879 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1359189792 VPIAQCSITAVZEG-HNNXBMFYSA-N 427.571 1.438 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359222425 IKRABQUAZQTTTI-CHWSQXEVSA-N 441.476 1.249 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1359233377 BVUAFOPSEQDVNX-FQEVSTJZSA-N 435.550 1.623 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccoc1 1359300522 DSGSHIFIFKRNDQ-UHFFFAOYSA-N 436.520 1.984 30 10 IDEE Cc1cc(C(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)ncc1C#N 1360499380 BMUAKMUFOAQPIF-UHFFFAOYSA-N 428.470 1.198 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1442914578 AJTSCNIUVCQKQX-IBGZPJMESA-N 431.512 1.897 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1452946904 IGFJQGPRGPWEKP-SFHVURJKSA-N 426.498 1.569 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 1468418694 CANBBWOWJILNIP-UHFFFAOYSA-N 435.550 1.088 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C1CC1 1504434927 GVWICBLDEHDGIH-OAQYLSRUSA-N 428.468 1.834 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1504888441 QYDZICLKWNSYDP-IAGOWNOFSA-N 425.555 1.506 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1505145041 ZGHQXWJRFGRZOW-SFHVURJKSA-N 430.534 1.544 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCOCC1 1507521943 SCDWJMIBOWNCMR-GOSISDBHSA-N 445.589 1.919 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C1CC1 1507521971 SMQGXBPVVJXMTN-BTYIYWSLSA-N 431.562 1.814 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCn1ccnn1 1507613444 ZYGOXPVJLWNYER-UHFFFAOYSA-N 431.504 1.816 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507644787 OGWFKROKWZPAJA-UHFFFAOYSA-N 432.933 1.611 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1507645280 ZDYPQPGIOASNFR-ICSRJNTNSA-N 432.488 1.045 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(CCC)CC2)CC1 1507732993 MRIYOCKXFSNXAW-VXKWHMMOSA-N 444.624 1.879 30 10 IDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCN(C)CCOC)CC1 1507882324 FVTMATSNRLJJRI-UHFFFAOYSA-N 437.548 1.927 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1507983396 QDRIKGWIHMLJET-SFHVURJKSA-N 449.577 1.929 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1508087610 OVMMDEBIVPORFP-MRXNPFEDSA-N 440.504 1.111 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1508143261 XTBDQLDIRPAQAI-MBOZVWFJSA-N 440.566 1.157 30 10 IDEE CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1515334718 DWHNLKQJJWZJMA-CZIZESTLSA-N 426.477 1.945 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccnn1C)C1CC1 1517624643 DZZUJOGGJHLSCS-UHFFFAOYSA-N 440.533 1.268 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(OC)C2CC2)C[C@H]1O 1517689487 IUGKIVNTFRYKLL-BOCKYXSRSA-N 439.516 1.992 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 1525466378 OEJVNJAMDQZBGL-NVXWUHKLSA-N 442.451 1.806 30 10 IDEE C#CC[C@@]1(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1531664948 JSSIARCYUZEVQX-INIZCTEOSA-N 426.457 1.873 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC[C@H](CO)O2)c1 1539040323 QXRZCXMQGFRWDC-RBUKOAKNSA-N 434.500 1.869 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1539125916 QDQKIPFWMJIOIK-OAHLLOKOSA-N 448.376 1.924 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1539175256 UHRPVYBYNLVELZ-KRWDZBQOSA-N 435.532 1.900 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1539239138 IGYQQYKOXYIROI-KRWDZBQOSA-N 425.464 1.489 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1539299617 LBTLLNSPHRGDIN-URXFXBBRSA-N 443.592 1.894 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1539757969 FRCYTEJRJQUCGP-LJQANCHMSA-N 432.569 1.152 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 1540742728 LYEKEICVFOYWRN-UHFFFAOYSA-N 427.505 1.607 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1540862332 ZEPXJIVHICPMNW-IBGZPJMESA-N 438.532 1.264 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C#N)CC1 1541003253 NLJPNOSKIQMFGM-MRXNPFEDSA-N 440.508 1.613 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1548004540 ALDHNBHRXVFRSU-GSHUGGBRSA-N 443.504 1.524 30 10 IDEE COCCOC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555702625 CABPDTTYLWNUQB-XUTLUUPISA-N 444.536 1.704 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1555803548 RQNGBGIXQBWRAF-HOTGVXAUSA-N 431.474 1.366 30 10 IDEE N#CC1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555991970 BTEHUYCHXLHOCP-QZQOTICOSA-N 432.488 1.530 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCCN(O)C1=O 1556782870 VODDBKZCQNADAR-NSHDSACASA-N 429.804 1.134 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12)C(=O)OC 1556970621 CGUNURGFSHVDLD-QGZVFWFLSA-N 433.486 1.266 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568505870 YLQXJFWIMKTBGS-PNCHPQGNSA-N 442.516 1.536 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588035324 RNPDRKUHTRAQKA-LZJOCLMNSA-N 436.578 1.603 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588050358 RRMSACAYZBTVCE-MJGOQNOKSA-N 428.562 1.451 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1588140286 VMRXRAIWVYAXNZ-INIZCTEOSA-N 434.468 1.903 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)cc2F)CC1 1588733050 LIRRSCBXPMIDMB-UHFFFAOYSA-N 449.490 1.877 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C 1589216578 RUTPBOASKPEPTE-SQGPQFPESA-N 439.582 1.274 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)OC 1589216741 WKMCMGPWRYRROT-FRQCXROJSA-N 425.555 1.028 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(CC)C(=O)C1 1589304648 IKVZRKYTTAQMHU-AWEZNQCLSA-N 430.347 1.969 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1594963476 TWTXZEHMJBGWFE-KRWDZBQOSA-N 437.570 1.137 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)[C@@H]1CC 1595497092 POLSEKXOGAPRSS-HNNXBMFYSA-N 434.447 1.564 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1595569745 OEOLEBQZMNXACU-UHFFFAOYSA-N 427.553 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595784459 GIJCHCVNSDGUBC-KRWDZBQOSA-N 446.577 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2ccc(Cl)nc2C1 1595798475 PQEXGNHWKGWQLR-HNNXBMFYSA-N 437.953 1.994 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595838032 IZDYXRQQVPYLRC-HXUWFJFHSA-N 429.550 1.807 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)cc1 1597602307 UJCGVEYYAAFPHI-SFHVURJKSA-N 426.448 1.764 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@]4(CCSC4)C3)CC2)cc1 1598447631 IQLVAUHJMYTOQI-HXUWFJFHSA-N 435.571 1.693 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCO2)cc1 1611500184 NRDFYAPJAKLMOS-OAQYLSRUSA-N 441.509 1.793 30 10 IDEE C[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCS1(=O)=O 1625105036 AVPQKLSDIPJVAP-ZZPBVIFJSA-N 425.551 1.809 30 10 IDEE Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C(F)(F)F 1625121366 PVWIAWKFKTZERY-UHFFFAOYSA-N 427.408 1.755 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)cc1OC 1626148554 LTYQXLGLJUFPFN-NBEHIINDSA-N 432.473 1.180 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1626182825 JVASSOGUWGFMII-JKSUJKDBSA-N 430.571 1.894 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(CC#N)cc1 1627487865 XYASMUSUAPATFR-LJQANCHMSA-N 449.554 1.151 30 10 IDEE NC(=O)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1Cl 1630548011 YASFOPYSXUHUIK-MRXNPFEDSA-N 448.932 1.892 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1631482719 HGILWAWETFKASB-VQHPVUNQSA-N 428.551 1.460 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 1632183227 FWLCXPBWQIQBFC-YWZLYKJASA-N 429.498 1.431 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)s1 1636394032 IJTFYDADIZINFG-GXTWGEPZSA-N 448.526 1.484 30 10 IDEE CN1CCN(C)CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 1639336914 QOGNPWSKXKRYNN-UHFFFAOYSA-N 425.493 1.691 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(c2cc(C(F)(F)F)c(F)cc2C#N)CC1 1639908508 FCYLPTZBKLXXGL-UHFFFAOYSA-N 428.433 1.811 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C(=O)OC)O[C@H](C)C1 1641427281 CCRVDZHNVRFEFP-KBMXLJTQSA-N 437.518 1.073 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(CC(=O)Nc3cccc(C#N)c3)CC2)cc1 1643294978 HLVWOPFOHMEYSI-UHFFFAOYSA-N 446.554 1.978 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 1645415877 SRUQXSIEVMLONY-XKUVRLAISA-N 448.317 1.702 30 10 IDEE N#Cc1cn(CCC(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)c(=O)nc1O 1651568908 HLQBESVJNPXOGW-WDSOQIARSA-N 436.468 1.724 30 10 IDEE CCCCCC[C@](O)(CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1652861496 FBLCWNWBRUHPPJ-NRFANRHFSA-N 437.562 1.739 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@H](CO)[C@@H](CCO)C1)CCCC2 1655897951 BMTKZSLQJZLQTF-KSZLIROESA-N 430.549 1.279 30 10 IDEE CCN(CCC#N)C(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1659348858 QVUYSMUNYSUWBN-DZGCQCFKSA-N 434.459 1.602 30 10 IDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1664764356 HJUSDHBQOKMLTQ-YESZJQIVSA-N 428.576 1.670 30 10 IDEE C=CCOCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1684290606 PHJNAXNASXGZBK-UHFFFAOYSA-N 425.530 1.189 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1689851833 WDZXEDUEQXYGCB-CVEARBPZSA-N 439.582 1.895 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689986023 HEACVEAHQRYAOD-QGZVFWFLSA-N 439.545 1.409 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC[C@@H]2CCCO2)CC1 1690129122 QKWXUPPEULIUNQ-FQEVSTJZSA-N 444.605 1.975 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690511145 QYNMICBFDPQKJM-LJQANCHMSA-N 427.553 1.934 30 10 IDEE C=CCN(CC=C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1690601021 NXBWHTVYXSAVPU-HXUWFJFHSA-N 436.509 1.724 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1690659535 VYGYHXIUBBNPFX-JOCHJYFZSA-N 426.521 1.125 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690749660 LITXJVBOYPVRLW-LJQANCHMSA-N 439.607 1.335 30 10 IDEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1690974408 SHKUYKRPAUOQLS-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCn2cc([C@@H]3CCOC3)cn2)CCOC1 1696032270 XXXKHVWLAHYLPT-JBYIUTFZSA-N 443.552 1.927 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCS(=O)(=O)C1 1696357222 QGWZZBTXMGZIMZ-QRQLOZEOSA-N 429.546 1.993 30 10 IDEE CN(C)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1696581042 NQSJFOGUKCBGFP-QYZOEREBSA-N 435.532 1.841 30 10 IDEE COCCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1697988261 ZAUNBYDYDBDUHN-FQEVSTJZSA-N 430.488 1.336 30 10 IDEE CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1698308848 DPWBXNZXCVNWJB-UHFFFAOYSA-N 442.545 1.486 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492688 FEOULVXHCLHJEE-YLJYHZDGSA-N 449.490 1.476 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1705580539 MDBZZJWBRIHVRO-YTTGMZPUSA-N 448.552 1.659 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1705628786 OZYMPCZESPVTOJ-KRWDZBQOSA-N 449.552 1.588 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C1CC1)C1CC1 1705853496 BVGTZUBGWYHKGF-IRXDYDNUSA-N 425.555 1.191 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1705905873 JWRXHGCZBLVGIH-UHFFFAOYSA-N 449.559 1.957 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)CC1CC1 1706301853 GWGAFAZCLIEYLB-UHFFFAOYSA-N 430.534 1.761 30 10 IDEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1710543731 OYCPZDXLOXVURK-GPMSIDNRSA-N 440.504 1.824 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1711017001 YBISQNVFKVHBQD-FQEVSTJZSA-N 439.564 1.558 30 10 IDEE CO[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1711513327 CCQNFKWEONILFR-RHSMWYFYSA-N 427.484 1.601 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CCO1 1712289136 XLYMWLJIUYKVFM-IBGZPJMESA-N 436.472 1.578 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1722360456 HXYCGVXMODDIFZ-IBGZPJMESA-N 426.546 1.229 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722366186 GJFSCEYHEIHRFK-RBUKOAKNSA-N 449.621 1.673 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1N1CCOCC1 1722425144 OKQTWNQWQQDFFP-UHFFFAOYSA-N 436.520 1.045 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722705825 IKLRFFWTHXMFQZ-CVEARBPZSA-N 431.424 1.413 30 10 IDEE CC(C)(O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1723033957 MTKBAIQNODPXPP-AEFFLSMTSA-N 445.545 1.185 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCO)Cc2ccccc2)o1 1731184796 UGGKPCJFTOJVIP-KRWDZBQOSA-N 441.513 1.692 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740641994 IVOHEGYWLIATEB-HXUWFJFHSA-N 441.543 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1740707688 MEFSPCUOLCSXKX-LJQANCHMSA-N 430.597 1.901 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCn2nc(C)cc2C)CC1 1740707852 SKNHSRXQJUYEDF-UHFFFAOYSA-N 427.553 1.684 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2CCS(=O)(=O)CC2)CC1 1740708313 LHSSOSKNWWVCQX-UHFFFAOYSA-N 433.578 1.021 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1740786923 SSYMCDNJSZPAIE-QGZVFWFLSA-N 442.568 1.931 30 10 IDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C1CCC1 1740962773 NXVMCIYRBKAXPW-UHFFFAOYSA-N 437.592 1.934 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1740977950 LRYDQUWWMOINRA-FDDCHVKYSA-N 443.548 1.810 30 10 IDEE Cc1cccc(C)c1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1742306965 CLNRCHPTOJTWQT-IAGOWNOFSA-N 448.549 1.313 30 10 IDEE CCCNC(=O)CCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745786903 FDAASKNZTSKZLG-MRXNPFEDSA-N 441.540 1.108 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 1746733082 DXDSBMQKMLPVSC-ZRCGQRJVSA-N 440.548 1.962 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1748671565 KTCBHHDDWXEFKQ-KKUMJFAQSA-N 431.509 1.504 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCSC2)CC1 1748984863 UKILMABAQHVSKA-QFIPXVFZSA-N 443.573 1.586 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1749039925 FVLINRFDZRWABK-UHFFFAOYSA-N 443.573 1.539 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCCCO2)CC1 1749303279 HCOZBMNGWYHQQW-QZTJIDSGSA-N 439.582 1.727 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2C1 1749650180 MQNLPNTUDZMJLZ-UHFFFAOYSA-N 442.520 1.298 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1749729221 DZNGEXYUBZEJFE-KRWDZBQOSA-N 436.582 1.041 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749740802 KIEZMHRVIXZTAB-SFHVURJKSA-N 445.593 1.844 30 10 IDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749751640 CEHHYVBIWBJERE-HXUWFJFHSA-N 439.564 1.842 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1749955157 SEECSYLHXFRZAW-MSOLQXFVSA-N 444.536 1.674 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCOCCS(C)(=O)=O)C1 1751276554 BZCCUMUJKWJEJD-HXUWFJFHSA-N 432.550 1.455 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)n(C)n1 1751825047 ICUMYUNTAOZQND-UHFFFAOYSA-N 427.534 1.778 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC[C@@H](C(F)F)N2CCOCC2)c1 1760125181 GFVMBWCBYBCWDD-IBGZPJMESA-N 446.502 1.999 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1760186177 BJMSXHGYHNHNGE-GJZGRUSLSA-N 436.563 1.007 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760203103 VQFJJALALDMVGE-UFYCRDLUSA-N 439.539 1.939 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)nc2)CC1 1760264787 FKRUGRSUNUUYLX-UHFFFAOYSA-N 443.939 1.479 30 10 IDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760275247 SSHJZTJIMGFJMT-HNNXBMFYSA-N 442.545 1.903 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1760325026 OKESFQNRVPAXST-DXIQSLLYSA-N 444.580 1.734 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1760521911 HIEVRXAALZNNEP-IEBWSBKVSA-N 444.580 1.559 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760527362 UJCNNBNFFGSTFV-GOSISDBHSA-N 441.532 1.764 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760556883 SPBKVTSPRDVIJM-UWJYYQICSA-N 447.561 1.249 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1761359793 ADRWPLNLBIPMJH-OYHNWAKOSA-N 437.504 1.736 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C 1765519314 FPEQPGCJZCOBAK-MRXNPFEDSA-N 428.562 1.924 30 10 IDEE CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1765843631 BGGQMZFBDQVQIA-SFHVURJKSA-N 448.535 1.521 30 10 IDEE CCO[C@]1(c2nnc(N(C)CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1767385398 IVKFKIDBLQEHMT-RPBSFSNWSA-N 432.525 1.549 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nc(C)cs1 1770045410 ZSATYPDHFDXDNG-NVXWUHKLSA-N 431.566 1.992 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1770106294 GFYQOJUUSDZENJ-UGKGYDQZSA-N 427.505 1.864 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCOCC1 1770833339 RXWBDORXERSOGO-VXPUYCOJSA-N 442.451 1.359 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@H]2CO)C1 1771530622 PKTAPMVIQVWSCS-SIKLNZKXSA-N 427.528 1.943 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CC(=O)NCC(F)(F)F)cc1 1771533136 ZXMCJKKNQXGGIU-LJQANCHMSA-N 447.421 1.212 30 10 IDEE N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(F)F)CCO1 1771537563 QICFKFALIPWNQR-MRXNPFEDSA-N 448.478 1.810 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1772566625 NJOVIGXENPXFKT-KRWDZBQOSA-N 445.474 1.136 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](COCC(=O)N2Cc2ccccc2)C1 1849799468 VIANJFQFWCMDJU-WOJBJXKFSA-N 425.510 1.996 30 10 IDEE Cn1ncc(N2CCC[C@@H](C(=O)N3CCC(COc4ncccc4C#N)CC3)C2)cc1=O 1849882230 QIQUMEAISLRBCM-LJQANCHMSA-N 436.516 1.581 30 10 IDEE COc1cccc(C#CCNC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1 1850094598 YQNXCCBFJGYCPF-OAHLLOKOSA-N 433.452 1.272 30 10 IDEE CN1C=N[C@H](C(=O)O[C@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)C1 1851918701 VZTDZFKBRVQMNY-MJGOQNOKSA-N 427.482 1.665 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2cncc(Cl)c2)C1=O 1854337983 IIZPTRBBURUQCB-KRWDZBQOSA-N 425.880 1.348 30 10 IDEE CC[C@@H](C)CC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855844786 HBUCAUZGFNNRLP-SJLPKXTDSA-N 432.546 1.428 30 10 IDEE CC(=O)Nc1nnc(S(=O)(=O)N[C@](C)(C#N)c2ccc(Br)cc2)s1 1858044143 IRRGKWNCFZRGNG-CYBMUJFWSA-N 430.309 1.976 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(OC)c2)cc1 1858644173 QCQZQQPZVQWDRT-UHFFFAOYSA-N 433.486 1.564 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1862743383 ATUYKLLUEHKINE-MRXNPFEDSA-N 429.341 1.779 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870005058 VOFTZMPYICITFC-QGZVFWFLSA-N 426.502 1.940 30 10 IDEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc2[nH]ncc2c1)N1C(=O)c2ccccc2C1=O 1870142730 KFNASBSYAUFVND-NSHDSACASA-N 426.396 1.638 30 10 IDEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870576295 VBOGEBBLDGGMMN-UHFFFAOYSA-N 439.545 1.595 30 10 IDEE C=CCNC(=O)c1nonc1OCC(=O)Nc1ccc(I)cc1C 1872709534 YPXLTTBHPJGHCC-UHFFFAOYSA-N 442.213 1.916 30 10 IDEE C#CCOCCOCC[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882551303 TWXZOQRPELNQQQ-ADKRDUOOSA-N 425.503 1.560 30 10 IDEE N#Cc1ncccc1OCC1CN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 1891658500 RBWSMZJGDSJNPT-UHFFFAOYSA-N 426.454 1.306 30 10 IDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)C1 1987171498 REYZRUHUQCYXRF-UHFFFAOYSA-N 425.526 1.946 30 10 IDEE C=CC1(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 2020668033 GPPIRYRCYPWXFP-SZNDQCEHSA-N 441.525 1.011 30 10 IDEE CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523961 MNBORCZVDTYBDJ-UHFFFAOYSA-N 447.341 1.590 30 10 IDEE C#CCn1ncc(NCC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2175829372 DOWMZHDIKDHSDM-UHFFFAOYSA-N 441.326 1.670 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(C#N)cc2Br)[C@@H](O)C1 2197487562 IKGISJRIBSEKFW-KBXCAEBGSA-N 440.294 1.992 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](O)C1 2247919002 OFHFWLKKBLRHLF-UONOGXRCSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255655483 MZDHZZZMYRXCKC-ZDUSSCGKSA-N 439.293 1.135 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255832320 KHOOOZLXNYHSRC-YEJXKQKISA-N 432.330 1.838 30 10 IDEE Cn1nc(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255842747 WYSDELKKWAETOL-KGLIPLIRSA-N 434.346 1.610 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178082 XITXEQDMUUGAEH-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE COC1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2267263925 LJBJGJRCEUVRRX-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269045126 HMUGIGINLUCEBQ-WMLDXEAASA-N 443.309 1.508 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 2337299375 QZYQABVGIZNKOC-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE COc1cc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc(Cl)c1O 252634656 WQAPOQQBCFAQER-UHFFFAOYSA-N 449.899 1.358 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cn1 462091299 SEQAJBPVSYWUFC-IRXDYDNUSA-N 430.490 1.339 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 506215173 NCMCDEDVQOFXNH-QFIPXVFZSA-N 439.520 1.568 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 508827111 LFDBUJIWERCJBW-LJQANCHMSA-N 443.504 1.532 30 10 IDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 509249008 PLLMSHDHKAFZHY-ZDUSSCGKSA-N 449.360 1.995 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)CC1 524518720 POXSKLLGVYZCAK-UHFFFAOYSA-N 436.516 1.463 30 10 IDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 533598134 OGXRRUDCXXCJAI-HNNXBMFYSA-N 435.506 1.052 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 535407386 QCOQCVAVSGKXFT-UHFFFAOYSA-N 443.485 1.725 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4ccc(F)cn4)CC3)n2)cc1 537069169 GQWRREHZVSWQAP-UHFFFAOYSA-N 434.435 1.019 30 10 IDEE Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 543147755 QUSDFTFNJDRSFZ-UHFFFAOYSA-N 425.539 1.256 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)s2)c(=O)n1C[C@@H]1CCCO1 570760134 OGVJSMTVWYJKTG-JTQLQIEISA-N 443.472 1.418 30 10 IDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(Br)cnn2C)c1=O 573649722 MFTSLOFGFADYCF-UHFFFAOYSA-N 435.347 1.688 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 576149422 CCRLBTIUSLICQD-HRCADAONSA-N 427.571 1.437 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC 583804895 FSKWSEUKXOVAGG-VQIMIIECSA-N 449.577 1.873 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)c1F 669653411 DICJIQHASCXTGK-CQSZACIVSA-N 442.512 1.966 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 679532562 YGWOIBOYTVKCNQ-UHFFFAOYSA-N 429.926 1.772 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cccc(OC)n2)C1=O 726400847 MHQDBMZMINJOIO-HNNXBMFYSA-N 427.486 1.457 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(N(C)C(=O)OC(C)(C)C)CC3)CC2)o1 730570454 PBCOCZNTFUCMPL-UHFFFAOYSA-N 446.552 1.835 30 10 IDEE C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732666044 FFSDPAMVPVDOIT-KXBFYZLASA-N 437.422 1.982 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707024 STJXDPYJKMDDDO-QGZVFWFLSA-N 447.561 1.161 30 10 IDEE C[C@@H](c1ccccc1)S(=O)(=O)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 737348909 QKRVWTXTWZHSFD-KBXCAEBGSA-N 440.481 1.970 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCSC)c2=O)cn1 751832028 ONTILIXNOULBDC-UHFFFAOYSA-N 433.603 1.155 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCn2c(S)nnc2-c2ccc(C)cc2)CC1 758662588 KYJKCLTVQLTGRR-UHFFFAOYSA-N 428.562 1.379 30 10 IDEE CC(C)n1ncc2c1C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 772458691 REQCKRXVHWLGDN-MRXNPFEDSA-N 429.546 1.956 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 774168553 MXZTVRHVRJBGDB-OAQYLSRUSA-N 432.590 1.339 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 777742408 GECMDUGYXMMYIZ-VUAZUDAXSA-N 435.843 1.410 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 779661768 YBLZUCCGBVLTEQ-DOTOQJQBSA-N 429.525 1.878 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC(=O)NC2=O)cc1 782558428 NEFOSRFTZMGINN-IXSYQRGLSA-N 435.506 1.206 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cc1C#N 793744897 XEELDGAHCFEDLA-OAQYLSRUSA-N 436.512 1.681 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 798975508 NHYMFEKSWFRTEI-KBPBESRZSA-N 429.481 1.055 30 10 IDEE CCOC(=O)c1c(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)noc1C 811031697 VXCSEPNTLBIPGO-UHFFFAOYSA-N 435.458 1.722 30 10 IDEE C#C[C@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1 812936870 WKHFFRMAIOOQQE-UGSOOPFHSA-N 432.477 1.735 30 10 IDEE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNS(C)(=O)=O)C1 1084448130 DVBULDLQSKWNIY-AWEZNQCLSA-N 425.511 1.563 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1 1137802145 WGVPHISZGWZYGU-SFHVURJKSA-N 430.461 1.439 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 1150001220 WMBAZTDCELEYAF-UHFFFAOYSA-N 426.926 1.615 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)s1 1150953276 DYYOPADDHNYNAP-WMZOPIPTSA-N 440.635 1.239 30 10 IDEE N#CC1(C[C@H](O)CN[C@H](CO)c2ccccc2I)CCOCC1 1176842563 VJSZWSPEVFKDOL-XJKSGUPXSA-N 430.286 1.986 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1180362838 KKWDUYUWPCUHPQ-AEFFLSMTSA-N 435.502 1.684 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)S(=O)(=O)CC 1286272458 CACVZACNCOEREU-OAHLLOKOSA-N 433.538 1.055 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1286385788 PHGGQXXZWMPSHV-LQWHRVPQSA-N 436.578 1.756 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286389933 SZVWQKDHYQGMPB-SFHVURJKSA-N 445.593 1.180 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2CCOCC2)n1 1286471098 ICNQXUKNIICDQK-UHFFFAOYSA-N 438.536 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCc2cnn(C)c2)CC1 1286491561 XQKOJVBUYLHNRX-UHFFFAOYSA-N 446.559 1.596 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286710163 OJBCYVAIQVRFAL-IBGZPJMESA-N 438.532 1.784 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1286766002 MKGOIDNVKUUEJO-SFHVURJKSA-N 441.536 1.823 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1286780669 YGHLADNYOKGRPE-UHFFFAOYSA-N 444.492 1.153 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1286793603 HUWZABUYDGCWPP-SFHVURJKSA-N 438.532 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286818873 QYPUMNARZDELNA-UWJYYQICSA-N 449.577 1.659 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4n(c3C#N)CCOC4)C2)s1 1289683039 GSQMLBHNJXDOPH-ZDUSSCGKSA-N 435.531 1.694 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)CC1 1294721160 DIRPQFSLHAUEMK-UHFFFAOYSA-N 438.575 1.947 30 10 IDEE CN(c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1298144044 ZGJWTZIHGXVDDL-QFPXGYFVSA-N 425.518 1.808 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)CCOC1 1299800619 DMQDSWKCHQCMDI-AUSIDOKSSA-N 438.532 1.975 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CC2)c1 1300334496 NLZXYNQFRABZHB-KRWDZBQOSA-N 427.530 1.646 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300486788 BGJTUCUCVALLHB-MSOLQXFVSA-N 430.578 1.632 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 1300499505 SWGLTULVMLGKKU-QGZVFWFLSA-N 425.518 1.301 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1300559493 QSDSHTPSJFWLTC-UHFFFAOYSA-N 427.310 1.686 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1300777950 HYENBGMZIWIACP-GQIGUUNPSA-N 435.550 1.231 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300991756 KLFDWPBAJLHWHW-JFIYKMOQSA-N 426.525 1.789 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301044234 IDLHSVUUZUKGMK-HUUCEWRRSA-N 447.989 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301589129 NZNIVPLVJSRPTN-SJORKVTESA-N 440.566 1.157 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301606417 QMDVANWPGHXFBS-UHFFFAOYSA-N 428.566 1.055 30 10 IDEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301924150 HABINLIXESBBMH-INIZCTEOSA-N 446.519 1.243 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1302147557 AQONWPVEMMLJJJ-HXUWFJFHSA-N 441.532 1.990 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1302334515 GYZPWQSYSTYTLI-GVDBMIGSSA-N 446.552 1.208 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1303640089 HPCSYNZHPFBPOZ-LSDHHAIUSA-N 443.533 1.674 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1303866748 KHRZEKDILVAIIQ-ZWNOBZJWSA-N 448.427 1.169 30 10 IDEE Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304824286 FHMPFWUSCNYXFM-DVEDPGPFSA-N 445.524 1.559 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)c(=O)n1CCO 1307389002 LNEWTHLZPUGKDN-OAQYLSRUSA-N 426.517 1.819 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)CC1 1312276433 XQZMBOFQPSEURR-OAHLLOKOSA-N 446.533 1.155 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCOC2)cc1 1332161436 QHLAVMLODLKOSQ-ICSRJNTNSA-N 433.516 1.942 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1358891608 JVWVFCJKMWVKRQ-IRXDYDNUSA-N 437.541 1.443 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1358964135 UNFVMWQHNKGIPC-WOJBJXKFSA-N 428.558 1.960 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2cc(CO)nn2)CC1 1359181191 JEEJYVUAAZVRPI-UHFFFAOYSA-N 425.541 1.716 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359188510 PATKKDYJACHIFN-LJQANCHMSA-N 446.596 1.365 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1359240913 ZVJDTQVMXFWWPQ-BBRMVZONSA-N 438.554 1.642 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCOC2(CCOCC2)C1 1359330009 CRKRDCSONVUZGI-UHFFFAOYSA-N 433.534 1.327 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1440433126 MFNHPPDROYBTLG-YJBOKZPZSA-N 439.490 1.418 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)s1 1444954739 MCKAIXAFKBGVQM-SFHVURJKSA-N 441.962 1.925 30 10 IDEE C#CC[C@@]1(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)CCCN1C(=O)OC(C)(C)C 1450606625 DDBJIGYQRNJPTQ-QFIPXVFZSA-N 429.521 1.924 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1452474346 HILPRIUBFNMQIJ-QZTJIDSGSA-N 431.558 1.942 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1 1452911914 CFEYQNSWRIWZAP-OAQYLSRUSA-N 439.537 1.997 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 1455183901 NUZQZRDPYFRAIF-UHFFFAOYSA-N 436.438 1.736 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1=O 1456272369 DCISYLIJJOWORD-UXHICEINSA-N 440.544 1.803 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 1456901450 RKLWVGCMJTZJAD-FVQBIDKESA-N 436.534 1.645 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)cc1 1456987122 HVSHOKSJDZPVBP-UHFFFAOYSA-N 430.417 1.275 30 10 IDEE N#Cc1cc(Br)cnc1N1CCC(C(=O)NCCCN2CCOCC2)CC1 1458199828 GVBVZUAYQNWIFM-UHFFFAOYSA-N 436.354 1.771 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(OC)cc2OCc2cccnc2)CC1 1462530925 BUSYBXCMOIIOAX-UHFFFAOYSA-N 430.530 1.254 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C3(C(=O)Nc4c(F)cccc4F)CC3)CC2)c1C#N 1466920994 CLLQLYRABRJWOP-UHFFFAOYSA-N 428.443 1.946 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 1470366416 NUOUEAPAHVYIKM-HNNXBMFYSA-N 426.922 1.398 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(O)c(Cl)c3)CC2)c1 1470835272 PYRGKDVGBWFRLY-UHFFFAOYSA-N 447.944 1.915 30 10 IDEE Cn1nc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C(F)(F)F 1472298761 NGZZYRHAJBIYNH-UHFFFAOYSA-N 429.424 1.574 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC([C@@H]3COC(=O)N3)CC2)CC1 1473846797 QLSIYUGERZADIA-PMACEKPBSA-N 429.496 1.355 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3(N4CCOCC4)CCOCC3)C2=O)cc1 1478419796 DMCVTWFTGVJTOW-FQEVSTJZSA-N 441.532 1.234 30 10 IDEE CCc1nnc(N2CCN(CCc3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1499193286 DWUIIPLVMAZVKM-FCQUAONHSA-N 449.559 1.732 30 10 IDEE CN(C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503402483 GYOPZLQPJDZPEM-OAQYLSRUSA-N 441.555 1.763 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CCOCCCO)CCO1 1505322161 JVJHWMAPNFMPBI-AWEZNQCLSA-N 436.310 1.835 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507567753 SJVWVOPYKNFMQY-IBGZPJMESA-N 435.576 1.857 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccc(C)cc2)n1 1507600891 LEHYDMPQVFEKGU-OAHLLOKOSA-N 428.518 1.969 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1507665567 QBDZMVQEDDBWAM-UHFFFAOYSA-N 434.525 1.844 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507844220 FMVXJYUHFLVBEI-GOSISDBHSA-N 443.552 1.890 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(NC(C)=O)cc1 1507980627 HOUCWYRKSBLXDI-GOSISDBHSA-N 448.549 1.240 30 10 IDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCOC1 1508021125 RMFPNBZGLKKNGB-QFIPXVFZSA-N 425.537 1.782 30 10 IDEE CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1508239569 UKVMCUVMBGBTBY-OPAMFIHVSA-N 442.520 1.889 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCOCC2)cs1 1511525961 NQGDUKLBBSVMRT-UHFFFAOYSA-N 429.550 1.656 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3ccc(C#N)c(Cl)n3)cc2)CC1 1538127797 NPQQSNYBRJUAGK-UHFFFAOYSA-N 448.888 1.543 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1539203178 NZCGJHJQIRVLHW-ZDUSSCGKSA-N 426.493 1.842 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(C)s1 1539333902 OVTXMZNNGLXLMT-UHFFFAOYSA-N 425.543 1.941 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1539415909 HRZRSACCJJDJIT-GCJKJVERSA-N 446.573 1.564 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539751512 OMTSFHPKNJRVGS-QGZVFWFLSA-N 429.525 1.352 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1540200547 CQCUXAOSTOLBJE-GOSISDBHSA-N 439.582 1.078 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1540872750 ZNDOKSZAEZJAPX-KSFYIVLOSA-N 429.496 1.694 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)C1 1540893280 ZNRIDRZJTLKLMJ-IRXDYDNUSA-N 437.522 1.034 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@H](C)C1 1540900115 LJKAVSUAGAHYDI-GASCZTMLSA-N 434.518 1.888 30 10 IDEE C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1541842765 DQJLSLJUMRKFRC-IRXDYDNUSA-N 434.552 1.610 30 10 IDEE COC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1554539118 SOECXYFAEXQFMD-HNENSFHCSA-N 444.536 1.783 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1554819444 CXHYMLXTRLFNDM-JKSUJKDBSA-N 432.550 1.974 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1555331673 GGTFUXFMVLAMGP-HUUCEWRRSA-N 436.538 1.654 30 10 IDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1557577858 JJHVMLJQKUVXCI-MRXNPFEDSA-N 429.336 1.662 30 10 IDEE C=CCCONC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1557717176 GEJQCQMRYRTYJT-UHFFFAOYSA-N 437.287 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCSC[C@H]3c3nn[nH]n3)C2)C1 1567809314 UPYUFMAYXDQHRV-AWTNTWDUSA-N 433.538 1.603 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3cc(OC)ccc3Cl)no2)CC1 1584999861 BTUZZADXTWLXDN-UHFFFAOYSA-N 430.892 1.901 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 1585535578 ZPFKPPONKAYXBR-KZNAEPCWSA-N 445.321 1.759 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1587500769 HIDNUICLSLBXAC-MSOLQXFVSA-N 448.495 1.991 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1588039641 BBSKLLJJBBXLOQ-RTBURBONSA-N 441.557 1.413 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588074517 NVINKSGIQUTULJ-WJFTUGDTSA-N 436.578 1.962 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1588400059 UYXGXGIFDDPDIC-INIZCTEOSA-N 430.513 1.223 30 10 IDEE C#CCN(CCOC)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1588694804 CYSHULJKYNEIOZ-UHFFFAOYSA-N 432.941 1.882 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1588779723 AJNIXZUJRQEVGN-KSFYIVLOSA-N 445.951 1.902 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588954617 IWOSGXMWAIRGHG-SBUREZEXSA-N 429.565 1.517 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594783603 FWIIALKEINPHOQ-WMZOPIPTSA-N 441.598 1.829 30 10 IDEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1595229613 VAELQXDFZODNDS-OAQYLSRUSA-N 443.529 1.457 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1595476734 MXCJVCOGINOKTI-ROUUACIJSA-N 445.612 1.663 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1595871196 JITVUEPFOAEWAW-OALUTQOASA-N 447.653 1.753 30 10 IDEE N#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(F)(F)F 1598394783 OFMUFWOFUZXFQG-CYBMUJFWSA-N 425.816 1.935 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)O1 1611085240 HQDKQSNVTUFFGY-WNRNVDISSA-N 425.526 1.995 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1611620164 CYALHKDXSCBUNI-XLIONFOSSA-N 426.542 1.721 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)CC1 1615208836 IJFUFAPDHSKAPG-INIZCTEOSA-N 441.557 1.241 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1617972448 FQBCFWLWCHHJAA-UHFFFAOYSA-N 434.504 1.625 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1620353741 SECPBSJAOXEZNA-MXLIYFDZSA-N 425.493 1.438 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)CC1 1626177834 ZECSWYMFBMYFDQ-UHFFFAOYSA-N 440.938 1.476 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3n[nH]cc3C(=O)OCC)C2)c1 1630674243 JPWIOOGOMRCSRP-HNNXBMFYSA-N 430.486 1.128 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 1632492696 CRFCLCQMKNJTON-INIZCTEOSA-N 427.482 1.142 30 10 IDEE C#CCN(C(=O)c1ccc(=O)n(CCCOC)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818578 SKYDWMWKYSSHFQ-UHFFFAOYSA-N 432.521 1.755 30 10 IDEE N#Cc1cn(CCC(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c(=O)nc1O 1637929781 FJFYXTMFQDJMQF-UHFFFAOYSA-N 437.378 1.694 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1639419782 GKMRKFRXOWZINX-JOCHJYFZSA-N 442.520 1.639 30 10 IDEE Cn1[nH]c(C2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)nc1=N 1639466704 HNPWVIZHRKHMRN-BXFSZVDSSA-N 443.552 1.721 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1641702082 BIQSDAJQNBTANE-OPAMFIHVSA-N 446.479 1.909 30 10 IDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccccc1 1642158158 PMEBSVVSJRQKNS-MRXNPFEDSA-N 442.541 1.369 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1648586479 MKNUKNXGELFEIS-MRXNPFEDSA-N 425.938 1.824 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1649668923 IBDODKYFBPVLFV-VFAFWLKOSA-N 430.509 1.171 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 1653252328 ZFRWKDZEUMHWCC-OALUTQOASA-N 446.548 1.651 30 10 IDEE C[C@H](NC(=O)[C@H](C)N1CCC[C@](C#N)(c2ccccn2)C1)c1ccc(S(N)(=O)=O)cc1 1654466028 LEIAEMULAKPASV-PNLZDCPESA-N 441.557 1.852 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(C#N)cn1CC 1672913215 BNACVNPQBTYTQW-DOMZBBRYSA-N 427.465 1.605 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1673648742 JLJNKILESNFAIE-LBKMDBTOSA-N 449.529 1.623 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 1678132790 ZSXBXCOJQVQSLB-WOJBJXKFSA-N 434.562 1.258 30 10 IDEE C#C[C@H]1CCCCN1C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1678146745 VMAQMRHHEQYQJD-QFIPXVFZSA-N 426.561 1.969 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1689848118 PGKBVCYHJQBMNE-DOMZBBRYSA-N 434.460 1.040 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1690122556 VJSDJNUECBKLRV-GHTZIAJQSA-N 436.560 1.872 30 10 IDEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690430710 RDNHBEFTMHYKCM-UHFFFAOYSA-N 427.557 1.873 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1690528236 YITBHBQUNKVEEA-GOSISDBHSA-N 435.550 1.621 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1690923055 HUYWNNCOCWAEOT-QGZVFWFLSA-N 437.548 1.642 30 10 IDEE C[C@@]12COC(=O)N1CCN(c1nnc(COc3ccc(C#N)cc3)n1CCCCCO)C2 1692885413 SEIZRIZNIIJALD-JOCHJYFZSA-N 440.504 1.922 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1696526429 GYNXXBRHHROBOU-VFWVNOCMSA-N 444.565 1.275 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1705476220 TYADDWRFARCOCY-HUUCEWRRSA-N 430.475 1.527 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@@H]1CCOC1 1705488621 DPZFVQUAAIFUPB-DLBZAZTESA-N 446.577 1.892 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705527473 YYFZLECBLTXNTE-GOSISDBHSA-N 429.546 1.867 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(N)(=O)=O)cc1 1705555994 HNDUMAYZIOJBAK-UHFFFAOYSA-N 427.534 1.099 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705567379 XMPMKNLBIOSONB-JMGYQRAPSA-N 437.591 1.447 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705571190 XPOWTPKEMVBKJI-WOJBJXKFSA-N 443.573 1.850 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1705620300 QELMWBCRJKNTSX-QGZVFWFLSA-N 447.536 1.485 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1705629179 YXKGHSJZEKOPRA-NQIIRXRSSA-N 441.532 1.597 30 10 IDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705802399 KPXIVQRZHJYQNG-UHFFFAOYSA-N 434.585 1.398 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1 1705906561 IVAHNEFKBJUOQO-UHFFFAOYSA-N 439.303 1.402 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1OCC[C@H]1COC 1705908625 FYPGFHLQFOOISQ-NOLJZWGESA-N 437.451 1.825 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)CCOC1 1706068236 GWSVDAYMIAKHEM-DNVCBOLYSA-N 425.555 1.492 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1706680390 QZWXJHXVSNBCKR-AVRDEDQJSA-N 440.504 1.195 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1712318301 GWGYIJQBYOISSA-QFIPXVFZSA-N 426.521 1.696 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722306161 GXQBPLLTHHGDTC-LJQANCHMSA-N 437.548 1.887 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)NC)c1 1722380764 XNWLAASUGFKDAF-UHFFFAOYSA-N 444.495 1.681 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C2OCCO2)CC1 1722429319 KBZHIJDWKAZALZ-UHFFFAOYSA-N 438.532 1.265 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCC[C@H]2C)CC1 1722445180 SXKLSWXAHBYBHR-IEGUWTFLSA-N 447.580 1.519 30 10 IDEE C#CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1722463580 GTWXNGDKNOMJBW-JBYIUTFZSA-N 447.605 1.933 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722691176 OUVCGNVRIWKYMF-LZQZEXGQSA-N 443.504 1.681 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1722698109 TYZWRUIAQPWLJP-UHFFFAOYSA-N 446.515 1.717 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)C1 1722711852 XOGRHJOFEOTXMT-STQMWFEESA-N 445.496 1.310 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC=C(C(F)(F)F)CC1 1722724852 IBXVJERKOJQGBZ-UHFFFAOYSA-N 447.483 1.814 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1723074129 BCEAQTFTQNSTFW-QUCCMNQESA-N 449.559 1.941 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1740550147 HTQXLCRQTSAYFA-HZPDHXFCSA-N 425.555 1.028 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740579562 QILOYMQSXKGHPE-IBGZPJMESA-N 425.537 1.646 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740597799 ZCQPYKRNRKWFCE-JOCHJYFZSA-N 430.553 1.681 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NC 1740659098 SYCLFAFGFGHSMM-UHFFFAOYSA-N 426.546 1.505 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(OCC)CCOC1 1740766173 GKERUUHXUOHUSA-QUXXCFOZSA-N 436.553 1.761 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740786610 JNIJLBSYMGXLIA-INIZCTEOSA-N 427.509 1.610 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1740800363 BTOBOZRPWPARMW-UHFFFAOYSA-N 431.928 1.979 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CCC2)CC1 1740833750 XLJYUZHSTMCBLQ-LOKFHWFJSA-N 429.612 1.592 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740958436 PBJGYPHKJBUULT-GOSISDBHSA-N 445.568 1.550 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O 1740968958 IBISIGABAKLXGS-WBVHZDCISA-N 447.561 1.493 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1741002792 LSVPQUDAGKNUCX-HOTGVXAUSA-N 427.596 1.204 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1741924659 CGKHDSNXOLQLLJ-QLJPJBMISA-N 444.443 1.106 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1748752501 YEPNUTAKCIAYKP-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOCC1 1748789938 QQAAUQPRCHCDFE-SFHVURJKSA-N 448.568 1.378 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1748929101 CTBCMWKUYFMGRL-IBGZPJMESA-N 447.561 1.265 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)CCC)CC1 1748986511 BCTWVKRXAPQJIH-XMMPIXPASA-N 449.559 1.498 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749019657 CKELGBKRTXLRQR-UTKZUKDTSA-N 433.578 1.655 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1749020314 PBZDRJCDVJBMLI-UHFFFAOYSA-N 433.607 1.561 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749032651 OPSVAYKNJUMGSF-QAPCUYQASA-N 438.557 1.766 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749210831 PEXZHRVMJPWKLX-GJZGRUSLSA-N 428.449 1.632 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1749600026 PMGNHSRNBPEWBG-HOTGVXAUSA-N 433.475 1.684 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1749650003 GUBUQMRONZKKMG-QGZVFWFLSA-N 446.939 1.950 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCOC2(CCOCC2)C1 1749671731 HICMYQXEMWYQED-UHFFFAOYSA-N 447.486 1.835 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1749850652 CJOZJNDWKLNOKT-UHFFFAOYSA-N 425.562 1.534 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760146445 MYXVZEQSNLHFPY-BTYIYWSLSA-N 432.525 1.230 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760157462 PUDRLKQIDGWEHD-OAHLLOKOSA-N 427.534 1.239 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccc(N2CCOCC2)n1 1760245712 CBQYXDCAYMMELO-UHFFFAOYSA-N 435.532 1.650 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCN(CC)CC1 1760247557 GFTFBAJYYKGJKP-FQEVSTJZSA-N 425.581 1.761 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1760248919 FTSJKXHSUOWLMB-HNAYVOBHSA-N 438.575 1.235 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760456163 IHGGVWDCFNUIKX-LSDHHAIUSA-N 449.585 1.011 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1760502809 MRANJIJZCILFGJ-HXUWFJFHSA-N 436.534 1.142 30 10 IDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760558785 AESYMEAZZQTJLE-INIZCTEOSA-N 435.598 1.672 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1760760106 FXBREVXCZIOMIX-QGZVFWFLSA-N 438.598 1.104 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccccc1)N1CCCC1 1761237918 FBWFAKVVYUAUJM-UXHICEINSA-N 437.548 1.982 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1762409974 PQWDALVANRIMHE-JKSUJKDBSA-N 445.549 1.911 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1768983916 VUYQVTAIBWDRLF-MEUCICPISA-N 425.493 1.425 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1769922776 VVZKFTVDYOJNQS-QZTJIDSGSA-N 440.504 1.606 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770911571 AOJWBQPVWCYNMI-SAZZCXPWSA-N 430.509 1.519 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)n1C 1853408122 YPHMDIKSYZGXRR-QGZVFWFLSA-N 436.516 1.934 30 10 IDEE N#Cc1ccc(CC(=O)N2C[C@H](C3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1853895539 XNOURRUTGDRYAL-UXHICEINSA-N 429.542 1.375 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CN1CCCC1=O 1854477832 OHFAHHBYZQNESK-UHFFFAOYSA-N 431.514 1.478 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)[C@@H]4CCCO4)C3)CC2)cc1 1855640097 KQGMEHDZLYOPDL-MJGOQNOKSA-N 431.514 1.513 30 10 IDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C(=O)C2)C1 1856839942 PISSRHSKTDLQEW-HNNXBMFYSA-N 441.500 1.618 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)CC1 1857294891 CPXYLVDDHAFVOC-FUHWJXTLSA-N 436.578 1.049 30 10 IDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1cc(=O)c2cc(I)ccc2[nH]1 1866530253 PAFPXVJOSMAWSW-VIFPVBQESA-N 439.209 1.962 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)CC1 1889421224 BJHURPHXNPUEOB-UHFFFAOYSA-N 427.593 1.798 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 1984991273 VIQUOYQEVNQQKC-OWCLPIDISA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1987827000 QPZMLMFZRICIPE-UHFFFAOYSA-N 425.526 1.640 30 10 IDEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2241754284 BBIAJGXZXHWEOY-FQEVSTJZSA-N 444.509 1.920 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903906 KPXHSPXHBQADSE-GJZGRUSLSA-N 446.375 1.776 30 10 IDEE C[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CN(C(=O)OC(C)(C)C)C1 2248430094 UVPYCRFVYWVIME-NSHDSACASA-N 438.359 1.701 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1(C)CC1 2248446066 VKNLZWZTFUZVNA-LLVKDONJSA-N 438.359 1.891 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255602430 SGKWCOKCJZMNNG-CHWSQXEVSA-N 438.309 1.786 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628175 DXFXQMMLGXCTTI-MNOVXSKESA-N 430.236 1.381 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267513901 YKEYGALEUJQEAC-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880276 RSHQUMTUQRZIIV-KFWWJZLASA-N 444.341 1.761 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC34OCCO4)c(F)c2)OC1(C)C 2282322478 MPHJLFCEQVNDQU-INIZCTEOSA-N 427.303 1.699 30 10 IDEE O=c1c(Br)c(NN=Cc2ccc(O)cc2)cnn1[C@H]1CCS(=O)(=O)C1 2322659689 RPGXXVNFALYVPI-NSHDSACASA-N 427.280 1.517 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1 2337199454 VSXDLCSHMXBOCS-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE COc1ccc(CNC(=O)CCSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20915446 PRMKAGXDVADVOY-YDZHTSKRSA-N 441.517 1.951 30 10 IDEE CC(=O)N1CCC(NC(=O)CO/N=C(\N)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 110197178 RWXSERLXZFIMAI-MRXNPFEDSA-N 427.546 1.342 30 10 IDEE COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)c(OC)c2)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 252634845 WRTHZMHZNDOZGW-WEMPKCCASA-N 425.441 1.051 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n(C)n1 436284781 NOJFBQMMZMRXBB-KRWDZBQOSA-N 430.534 1.319 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)C2=O)cc1 439816048 FUMLJWAMDDPLSB-IBGZPJMESA-N 431.452 1.545 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCC2CCC(C#N)CC2)CC1 441045120 BIJVKMQIRMVRDM-UHFFFAOYSA-N 433.578 1.752 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 460798326 XDHCEMHBYBJAEA-LJQANCHMSA-N 442.564 1.554 30 10 IDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 462934693 IBFFKNKXYTXROR-UHFFFAOYSA-N 442.497 1.752 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CSCC(=O)Nc1ccc(F)cc1 465466613 ODGDWJZEOSGBRZ-AWEZNQCLSA-N 428.493 1.896 30 10 IDEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCN(c2ncccc2C#N)CC1 465971965 ZQSSVVAHWSXHEK-FQEVSTJZSA-N 433.560 1.996 30 10 IDEE CN(CCC#N)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469086128 XBYYKMMPYZQPAH-UHFFFAOYSA-N 435.333 1.607 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 477879594 PMPQWFGBMCRRLP-UHFFFAOYSA-N 437.548 1.211 30 10 IDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508719896 ZLUASPOZHBCOMM-OAHLLOKOSA-N 438.492 1.584 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1 513332141 MKXJPQVDQAKSLY-QGZVFWFLSA-N 426.970 1.602 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 531082271 NDUGDCLBZDYFCI-UHFFFAOYSA-N 441.513 1.062 30 10 IDEE Cc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 534601788 BTXUWDJDVQVKLM-INIZCTEOSA-N 449.532 1.925 30 10 IDEE C=CC[C@H](CO)NC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 541776199 PFMKQMXQWXXPCA-LSDHHAIUSA-N 446.367 1.838 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 549286276 UDFXPENZOUQGMJ-LJQANCHMSA-N 433.601 1.224 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)cc2)CC1 552369933 LPBPVRLGHKGQRQ-FQEVSTJZSA-N 444.488 1.673 30 10 IDEE C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555246483 JDABRTNMIXTIMG-UHFFFAOYSA-N 442.539 1.565 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 603799049 RSEZLKFXZHFUDH-CQSZACIVSA-N 431.464 1.172 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)s1 614909570 VQNLNANDKINVEF-UHFFFAOYSA-N 431.583 1.340 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 669806493 NCPHAQXHOOBESY-ROUUACIJSA-N 433.534 1.963 30 10 IDEE C[C@@H]1Oc2ccc(C(=O)COC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2NC1=O 728095445 DGMSVQLRTGOFPW-ZDUSSCGKSA-N 442.449 1.619 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1F 728580975 DHNIDDIYAMRDLP-VIFPVBQESA-N 428.276 1.538 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729671584 MVPCFFDJSFXKCN-UHFFFAOYSA-N 441.516 1.637 30 10 IDEE N#CCOc1ccc(Cl)cc1COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 735332983 MENQTCAHDGGULU-CQSZACIVSA-N 439.877 1.451 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(O)nc2ccc(Br)cc12 737848839 SJQAEHLBAKTJOZ-VLGSPTGOSA-N 431.246 1.959 30 10 IDEE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 741062989 WEPOZSAEVWPLKO-SYLQMPFCSA-N 442.563 1.398 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 758701099 DTRLHNSHLUAEIV-HMDOMZECSA-N 427.505 1.103 30 10 IDEE C[C@@H]1Cc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc2N1S(C)(=O)=O 760404604 HMLOQLUQIIJKTP-CQSZACIVSA-N 439.559 1.931 30 10 IDEE CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 760900143 BLBNGTGYQOZWFQ-DNVCBOLYSA-N 447.561 1.042 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 763711902 BYNHWYIIQHWZAK-NRFANRHFSA-N 433.403 1.684 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(Br)c(F)cc1F 786330630 HHBMHOLPNGZHQC-YPKPFQOOSA-N 443.204 1.308 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)n1 790108669 AKCLSXWPSJABIL-LJQANCHMSA-N 448.527 1.920 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 794578738 LJBNMZKDTIREPU-INIZCTEOSA-N 447.520 1.175 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccccc3C)c2=O)cn1 794583643 BQSKRKNRDZHMEO-SFHVURJKSA-N 448.548 1.923 30 10 IDEE Cc1nsc(N2CCN(C(=O)COC3(C)CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 810893473 QZFGVYGISBZYDC-UHFFFAOYSA-N 435.550 1.998 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC(C)(C)CN2CCN(CC)CC2)ccc1F 1129807956 GJGNQWOAOBEOQQ-UHFFFAOYSA-N 426.558 1.436 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccc2Cl)C[C@@H](C)O1 1134267743 GLYCZSOUPZMJKH-LPMFXHHGSA-N 441.937 1.893 30 10 IDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCCNc2ccc(C#N)cn2)cc1OC 1141486959 KGLDUBGGHUWPQB-JOCHJYFZSA-N 425.489 1.636 30 10 IDEE COc1cc(OCCN(C)C)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1142214868 HRDJKJTZNHXCLK-UHFFFAOYSA-N 432.502 1.313 30 10 IDEE C=CCOC[C@@H](NC(=O)CCOc1ccccc1I)C(=O)OC 1155779974 VZGCGOAWUMGVGJ-CYBMUJFWSA-N 433.242 1.921 30 10 IDEE CS(=O)(=O)C[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1159248735 MYMZLAWCCGJVMQ-GFCCVEGCSA-N 426.336 1.650 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)cc1 1162948062 GUSBVQBGSRUYEU-IBGZPJMESA-N 425.510 1.377 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCOC[C@@H]1CNS(C)(=O)=O 1175080123 TYHGUGWOANQKQG-CABCVRRESA-N 426.564 1.127 30 10 IDEE C#C[C@H](NC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12)C1CCOCC1 1184040644 FYXOEJKUZBDUKF-KRWDZBQOSA-N 437.525 1.867 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 1199517227 AUKYYCXNYHDLHW-UHFFFAOYSA-N 445.570 1.991 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN([C@H](C(=O)OC)c3cccc(Cl)c3)CC2)nn1 1252076987 OWEMMESXISROLW-SFHVURJKSA-N 432.912 1.859 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 1264321011 AMVMZXZWHOGTQF-UHFFFAOYSA-N 438.488 1.374 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccc(C(N)=O)nc2)c1 1286312049 QLCCPJYTCRPIQA-UHFFFAOYSA-N 447.499 1.413 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1286411660 ZSONLCULGHGDPG-UHFFFAOYSA-N 427.512 1.617 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)n1 1286471468 NEGGVSVEBURRPU-UHFFFAOYSA-N 431.500 1.824 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2COCCO2)n1 1286472457 YBDLRSBTWSDZIV-ICSRJNTNSA-N 444.536 1.070 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)=O)CC1 1286790893 KRHJMBLZUQRREM-IBGZPJMESA-N 440.504 1.198 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1286820826 SKHHIVQOZFVSDH-GOSISDBHSA-N 449.581 1.181 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)C1 1286858242 FRWJNLRRCBWOJC-GOSISDBHSA-N 435.532 1.777 30 10 IDEE C[C@]1(N2CCOCC2)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1289065046 NZJLTRLLOQRTCK-QHCPKHFHSA-N 440.548 1.517 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290128424 MQAGGDFSLIFXBW-QKDOTCOFSA-N 449.515 1.482 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1296250192 VFAWKJZDSBJMJC-HDICACEKSA-N 440.504 1.453 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1300393175 SLQSRVFCPSSLLZ-GOSISDBHSA-N 449.554 1.375 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1300464433 DYHKQSSRQNJKGL-MRXNPFEDSA-N 448.524 1.498 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1300483977 NLDRBMGUYUXHTR-QLVMHMETSA-N 433.578 1.429 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1300718873 HHCVBDDNYPKEAF-UHFFFAOYSA-N 449.559 1.361 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300743548 USETYEQGARBYHT-MRXNPFEDSA-N 430.490 1.171 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(=C)C 1300805958 MAVQMASRNLBHCO-FXAWDEMLSA-N 437.566 1.196 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1301346719 JCRYLFTYWIITAI-UWJYYQICSA-N 449.577 1.886 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCC)CC1 1301497371 UUJUMTKJWZRHBL-UHFFFAOYSA-N 425.537 1.693 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301509471 HUGPKKQMVADTCK-QFIPXVFZSA-N 440.504 1.233 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301577452 JRBLZSBKRCWIKR-CVEARBPZSA-N 436.465 1.799 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1301587306 MUMGVPFIROLOKL-UHFFFAOYSA-N 439.626 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1301587394 VBBDNUJCWYZVEE-UHFFFAOYSA-N 444.623 1.625 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1301817090 BAHYBOFBKBDKCZ-OAQYLSRUSA-N 437.548 1.644 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1OC 1302408797 FPUJQKGFDRGXTK-QRQLOZEOSA-N 445.545 1.492 30 10 IDEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1303309993 CGDXPEULRNFRDA-UHFFFAOYSA-N 435.536 1.826 30 10 IDEE Cn1cnc(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1Br 1304152011 WCUHVCQMNSHIGC-UHFFFAOYSA-N 425.308 1.328 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCCCO 1305531302 IDIMFVNAHIOLSD-IRXDYDNUSA-N 428.541 1.567 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)OC)CCOC1 1314133327 AEECFVNBNALTLP-VGOFRKELSA-N 441.536 1.558 30 10 IDEE C=CCO[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1320897123 AIOIKXYNCUTXEI-HKUYNNGSSA-N 437.562 1.620 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)c1 1358901448 LKFBXEMFBWVQOR-VQTJNVASSA-N 446.511 1.936 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1359010770 YQZFNLAARZWYER-DAWZGUTISA-N 439.582 1.276 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC=C)CC1 1359034328 LZHDQQYRLRYWIO-UHFFFAOYSA-N 430.516 1.188 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncc(CC)s2)CC1 1359040021 FJVVDHYFCXOEIV-LPHOPBHVSA-N 430.578 1.825 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1359040958 KKRBDQRQPGBTTB-UHFFFAOYSA-N 442.608 1.976 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCO[C@@H](C)C2)CC1 1359159418 VUNROLMGRSOLEA-ROUUACIJSA-N 440.614 1.546 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)c1cc(OC)cc(OC)c1 1359291503 SRDONUXEMLWJDH-UHFFFAOYSA-N 428.493 1.601 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CC(N)=O)C1 1359309780 DKZHDHQTMIUDOZ-SJLPKXTDSA-N 438.532 1.934 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCSC2(CCOCC2)C1 1359335549 OIOLHCIAILNDLP-UHFFFAOYSA-N 430.596 1.518 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1360204696 UZWYMXMDKOWFQH-INIZCTEOSA-N 427.509 1.088 30 10 IDEE CC(C)OCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1360391400 YAUBKQIWJBWRMP-IBGZPJMESA-N 440.552 1.996 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCSCC(F)(F)F 1360684803 QWVYZEIZXQUMDV-MFKMUULPSA-N 444.480 1.626 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)B(O)OCC2 1454444859 LHRUIHOJGHOMSB-UHFFFAOYSA-N 441.318 1.184 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCOCC34CCCC4)CC2)cc1 1471591474 DOCNWHPIIDLLIS-LJQANCHMSA-N 432.546 1.923 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1475414641 WBENIZVUZSHRFB-HZMBPMFUSA-N 430.324 1.509 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)c1ccccc1 1507617694 YPTKFCCPDQGFNR-IEBWSBKVSA-N 431.562 1.874 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1507711560 WYXVKPJQVPAXES-INIZCTEOSA-N 434.518 1.029 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(N(C)C)CCOCC2)CC1 1507724730 WBUUJZTXEMNXLR-UHFFFAOYSA-N 440.567 1.874 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507876490 JCDIZPNWRLKQLL-KRWDZBQOSA-N 432.569 1.848 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3nccn3C2)CC1 1507895949 FSNWGZBXJJMWJM-RDJZCZTQSA-N 433.582 1.750 30 10 IDEE C=CCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508066609 UVFRTQPIDBRJGK-HTAPYJJXSA-N 443.552 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1508080273 MZRCBFRULDAGOY-INIZCTEOSA-N 438.492 1.727 30 10 IDEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@]2(CCOC2)O1 1512389557 SLASPYOJICZPIR-ULKHLWJZSA-N 444.536 1.486 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1515592395 MLUSLIAQUHWQSY-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1517143722 CYKJUGWUWUGUOT-LUVWLHFXSA-N 428.286 1.787 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1 1520238163 BGHUERWOFYYXBY-LJQANCHMSA-N 426.492 1.722 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1539212315 USKJWDKFVDJMHX-LJQANCHMSA-N 427.530 1.606 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539222922 YPRHYFPEPCWQTF-KFWWJZLASA-N 441.504 1.291 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC(C)(C)C2)CC1 1539459349 FMMGDXNXVPDORZ-UHFFFAOYSA-N 440.596 1.006 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1539556675 GHJPDFGYOGBFRS-IIBYNOLFSA-N 442.545 1.711 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 1539703375 ZABSGPFFXAMUJY-IBGZPJMESA-N 443.500 1.223 30 10 IDEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539920291 AWAKVLLQHVJQTM-UHFFFAOYSA-N 429.573 1.804 30 10 IDEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539968170 XJNZYOMBTZLGBM-QGZVFWFLSA-N 430.553 1.456 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1540868978 YJTMDNCPYAYYSD-UHFFFAOYSA-N 439.549 1.383 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)(C)C)CC1 1540873403 WTLVOKQXVNVPEN-UHFFFAOYSA-N 436.564 1.739 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540873565 CDRQMBVZHRTNQS-HXUWFJFHSA-N 436.560 1.957 30 10 IDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1541690377 BADBNFBWFSQEDP-MRXNPFEDSA-N 439.520 1.310 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1541910945 GFZPQLJIQGKCHA-QAPCUYQASA-N 432.550 1.823 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1541991822 LWRSVWBFWCYSOL-CYIKPXLWSA-N 425.493 1.786 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1554385761 IIORLSGGSDIVTF-QFBILLFUSA-N 426.521 1.831 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1555685373 RBYMIEUEIYADCT-HRAATJIYSA-N 428.468 1.745 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1556458026 XGHFAFWFKXQNFB-JPYJTQIMSA-N 442.516 1.537 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 1557383919 GMACLCDHOPWSHI-FQEVSTJZSA-N 430.530 1.877 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)c1 1563160740 QWWAAZCQBAULGI-UHFFFAOYSA-N 438.440 1.340 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2nc(Br)c(Br)n2)CC1 1584573757 FILZRVWPSGLBBW-SNVBAGLBSA-N 434.136 1.495 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO2)c1 1587697052 IVCJUHAODAXLDL-IBGZPJMESA-N 436.516 1.636 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCC(=O)N(C)C)CC1 1588848995 UMDYXBBWJUGDBJ-UHFFFAOYSA-N 434.548 1.140 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2ccn(C)n2)CC1 1588908142 LFBAZNDDAHUWAY-UHFFFAOYSA-N 447.543 1.896 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCn1cc([C@H]2CCOC2)cn1 1589134753 ODGNONIRDXMLGM-HTAPYJJXSA-N 425.537 1.809 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589547251 TUTGEQZWVXXQJR-SCTDSRPQSA-N 425.599 1.976 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589581791 WIHNFLWJUNTMPS-RCCFBDPRSA-N 439.582 1.583 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1593809268 XLUDPOSDRYPJQV-GOEBONIOSA-N 431.928 1.835 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1594798185 OOUWDGBHQIWNKW-GOSISDBHSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)cc1OC 1595536706 FWTPMMWWCXNVTR-MRXNPFEDSA-N 428.493 1.185 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595745401 RRGOKSJQXYIMQF-DENIHFKCSA-N 446.573 1.394 30 10 IDEE C=CCn1cc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C(N)=O)cc3)cc2n1 1597380710 AIALPDUNSLYIRD-ZDUSSCGKSA-N 427.486 1.627 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1612590603 CBOYMRLFMBJZIC-HXUWFJFHSA-N 428.562 1.605 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1617221292 UOHXVKMTRZTINT-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE COc1cccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1619373405 GLSHPVMJQUIQQQ-QAPCUYQASA-N 428.493 1.621 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F 1621673604 VTILRQYGDBSWIB-QDXKXIGTSA-N 444.478 1.400 30 10 IDEE CNC(=O)CN1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1629453696 GSHNOCJHWKUUIM-JXORXQGFSA-N 433.553 1.100 30 10 IDEE C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1633264226 TZHJNXVELGTHNO-ANNUQZOISA-N 446.529 1.662 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1635698795 VGMNEHAXIBPISI-NDXORKPFSA-N 433.530 1.823 30 10 IDEE C#CC1(F)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1636903301 XJYDWVICWHWGLE-UHFFFAOYSA-N 435.521 1.100 30 10 IDEE CN(C)c1ccc([C@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)NC(=O)OC(C)(C)C)cc1 1639876869 OKQWKBHSVPRSPH-INIZCTEOSA-N 428.493 1.689 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 1648887433 QUOWNLBYSKTEJC-UHFFFAOYSA-N 431.518 1.338 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1654037137 WRUAGZJYXSGNCG-HUUCEWRRSA-N 435.491 1.724 30 10 IDEE Cc1csc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1C#N 1671133873 HHQPPCVQDHIUNU-UHFFFAOYSA-N 434.547 1.597 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)C1 1685180818 QUFOGYAMTXKISP-ZWKOTPCHSA-N 432.565 1.448 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCc2ccc(SC)c(C#N)c2)CC1 1685266438 AREQZDHOEXBXCE-MRXNPFEDSA-N 433.578 1.649 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690246105 QTTMNVBDGUGFHB-SBHAEUEKSA-N 446.596 1.410 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1690251733 YPNITMZGMVRPKD-FIKGOQFSSA-N 430.553 1.474 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1690677419 WMPZQUYEAOYAEX-HDICACEKSA-N 434.585 1.442 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1)OC 1697756771 GTKMPJHDXZDNOA-UYAOXDASSA-N 426.521 1.831 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1705489372 OGFXNTIYEILTIA-KRWDZBQOSA-N 427.578 1.958 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705545301 VQNUUOGZGTZNLP-ROUUACIJSA-N 445.589 1.917 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1705560733 MWZVJFNOLIWGQT-SJORKVTESA-N 436.578 1.746 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1705582473 BOZGNCPIHUQIGN-IBGZPJMESA-N 431.562 1.574 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCC(=O)N2)CC1 1705634823 JYTIETDHCLJVMK-IAGOWNOFSA-N 426.496 1.591 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OCC)CC1 1705634835 KDOJOYGFJWSUCG-QHCPKHFHSA-N 440.548 1.527 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1705693181 CMYSPFRAMDEVKP-MJGOQNOKSA-N 442.568 1.458 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705828350 KTLJDBBSARCGBE-OAQYLSRUSA-N 427.509 1.680 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1 1705864436 BPVNCQSPQFDMOC-SFHVURJKSA-N 429.496 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705900716 NDESGGRXMIGMRI-OAHLLOKOSA-N 426.506 1.380 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1[C@@]1(OCC)CCOC1 1705908068 HCRAORSDNWRQLP-VGOFRKELSA-N 442.520 1.285 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1705939446 DTOVELYDLXUJNW-UHFFFAOYSA-N 430.538 1.306 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(=O)(=O)CC)cc1 1708919732 UORLVSCJWDHNGN-SFHVURJKSA-N 432.550 1.566 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1709938258 KYFDWJIOWUOFRB-NQIIRXRSSA-N 445.545 1.636 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1711340191 PEZCAZYQYOIPDW-QZTJIDSGSA-N 435.532 1.694 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1712567498 VCIWJAFPFCXBNK-GUDVDZBRSA-N 436.557 1.088 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(N)=O)c1 1722387436 VMVRRTNQQWOCFB-UHFFFAOYSA-N 446.536 1.684 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1722394011 MAZRXZVUVJVROR-UHFFFAOYSA-N 440.511 1.745 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCOCC2)CC1 1722447082 DHIMCEOUNVDXMO-SFHVURJKSA-N 428.537 1.012 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)C1 1722714486 NPNFUMPMIKMDEK-IAGOWNOFSA-N 428.468 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722730684 ZYJCDFDHUDJPGF-GOSISDBHSA-N 445.589 1.721 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1723642040 DBQQEHYBFYZWKN-HNNXBMFYSA-N 433.310 1.961 30 10 IDEE CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1728310037 YIDMOSFOIQJRKJ-XOMICKMZSA-N 441.536 1.915 30 10 IDEE CN(c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1729366293 GUAGDYFCQYOQEE-MJWGMMHASA-N 428.518 1.682 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1740624720 JKGXUBITWBQPQG-IHPCNDPISA-N 443.573 1.706 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](OC)C(C)(C)C)CC1 1740693359 ZIJCUKPWSQKTAT-FQEVSTJZSA-N 449.563 1.737 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 1740716898 CZRPYAMAYZIYKW-IBGZPJMESA-N 427.530 1.826 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1740743704 BQAZGBWFDNWACB-CQSZACIVSA-N 428.331 1.899 30 10 IDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1740794955 LEVNEVUJSJNGPJ-GOSISDBHSA-N 440.552 1.356 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCN(C)C1 1740892949 RJQWTYAGBVXKOV-HXUWFJFHSA-N 433.582 1.235 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740960011 IXSKMNXONRMFQN-IRXDYDNUSA-N 429.525 1.625 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(OC)C1 1740986009 PLZVGDZOOSWJAQ-FQEVSTJZSA-N 448.549 1.532 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1741131353 FHBXEGVJEZKGIP-AOMKIAJQSA-N 437.552 1.526 30 10 IDEE CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1741422161 CTIIGCAKBCUARF-MDZRGWNJSA-N 426.562 1.598 30 10 IDEE Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1742204724 IUMKKKHYFIQDFM-ZPHPHTNESA-N 426.477 1.988 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)cs1 1742592438 PYQHRKCSXYRBGF-OAHLLOKOSA-N 433.538 1.887 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1743384361 DITXVEQUAIDQLA-RVHYNSKXSA-N 426.452 1.711 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)C1 1746536132 ATZOOLLQSWPFTN-SFHVURJKSA-N 444.561 1.640 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1748790358 XMSRHBZEBAAUDJ-ROUUACIJSA-N 432.569 1.996 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)COC 1748858250 NMDVYSOJINFXFE-ZWKOTPCHSA-N 431.537 1.942 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1748892611 SUHWDTHYBSEYBW-CVEARBPZSA-N 447.586 1.855 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1749054965 BPEOQOAWYVXHCL-CTNGQTDRSA-N 436.578 1.890 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749362653 IXTZGYXYEWUXOH-INIZCTEOSA-N 441.515 1.508 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1751096959 AQTSZUZVGJIFSH-CQSZACIVSA-N 427.538 1.769 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1751284529 IEXAOIPIBPSQQI-AEFFLSMTSA-N 435.532 1.823 30 10 IDEE Cc1coc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1751737776 PKPDDRKWYPHUEM-PBHICJAKSA-N 436.538 1.608 30 10 IDEE C#CCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760161486 HSOPALAZKQZWFL-NZQKXSOJSA-N 431.581 1.891 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760180556 HMWYZLIIBQTLIL-MSOLQXFVSA-N 449.602 1.348 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1760210288 PTFOTZMZDNGBPQ-KRWDZBQOSA-N 429.546 1.546 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760333298 CSNOZGPJEFDNIH-HPFXQQBRSA-N 437.566 1.224 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760548979 UHDMMFIMKWOSSS-QGZVFWFLSA-N 440.614 1.976 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760552441 NUMPMGDCOONIEG-OXQOHEQNSA-N 433.534 1.325 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1761357627 GYHPJVDNCOSLGL-GDBMZVCRSA-N 445.549 1.212 30 10 IDEE CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1763351530 BNFXSZUVPRAUTC-NRFANRHFSA-N 437.504 1.498 30 10 IDEE CCc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764897140 GDSWOPKGPIVVCP-MRCUWXFGSA-N 449.515 1.329 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1(O)CCOCC1 1764919028 BBQKYOYLTOAJAI-INIZCTEOSA-N 426.525 1.149 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1767007250 DPLBPGZLNXIWED-UHFFFAOYSA-N 449.519 1.379 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCCCC2)CCOC1 1767481074 AAOZCJABBMAMJT-NNMXDRDESA-N 432.569 1.781 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCC[C@H]1C 1767941487 DDUJDTUVJORUMX-VGOFRKELSA-N 425.537 1.959 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1)C1CCN(S(C)(=O)=O)CC1 1768539099 DLFLGARRRRUDTH-UHFFFAOYSA-N 430.534 1.202 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1772564427 YWXVFCODMXVYIT-ZWKOTPCHSA-N 440.614 1.354 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c(OC)c1 1852455304 JMDTXOSQAWQWSW-DOTOQJQBSA-N 438.440 1.687 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3C(=O)NC[C@@H]3C3CCCCC3)CC2)nc1 1852496717 DNZUZZSJAUUJEV-TZIWHRDSSA-N 425.533 1.561 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@@H]1C 1854259169 WIBQGQGTMFMCKD-YOEHRIQHSA-N 425.938 1.738 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C(=O)C2)c(F)c1 1854299750 IQIDMSQSXQPQCE-UHFFFAOYSA-N 429.473 1.732 30 10 IDEE COCC(=O)N1C(=O)CN(S(=O)(=O)CC#N)[C@H](c2ccccc2)c2cc(C)ccc21 1857125401 JALRQPTUZFKKLF-OAQYLSRUSA-N 427.482 1.759 30 10 IDEE CCS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cc2)CC1 1858061872 GRSDNARBBWPGFK-UHFFFAOYSA-N 434.543 1.831 30 10 IDEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1c[nH]c2ccc(I)cc2c1=O 1866370831 CWLFIGNGZNFGFW-SECBINFHSA-N 439.209 1.962 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1OC 1866801446 XRNIREJYCNMFQK-CQSZACIVSA-N 445.497 1.883 30 10 IDEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1869928193 BVWCKRPYDPRKPE-MRXNPFEDSA-N 436.515 1.036 30 10 IDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871533021 ZNUKFKYIMFBVAV-UHFFFAOYSA-N 440.508 1.294 30 10 IDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccn1 1874210370 RURQPLPMILTVFJ-PZLKWIMZSA-N 435.513 1.649 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)N3CCCCCC3)CC2)CC1 1890006961 HXDVFLRLGYNSGI-UHFFFAOYSA-N 440.654 1.618 30 10 IDEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cs1 1891782207 LVNNXHUEMYIGSM-GFCCVEGCSA-N 430.442 1.543 30 10 IDEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060633814 RUDUOUQWADGJMC-OCCSQVGLSA-N 436.318 1.643 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073756601 JUNNHGMXUMCKFN-QTCYRWPVSA-N 437.346 1.840 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCN(C(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2243387167 OQMIEWMECHKIJD-INIZCTEOSA-N 440.309 1.850 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)s1 2247811302 HRXLHSTUDYRNLS-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2251305683 CWBXOJWXTPKCJI-GXMAMIFBSA-N 426.319 1.023 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545394 POPRIYXDAQPONM-HIFRSBDPSA-N 434.346 1.847 30 10 IDEE COCC[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255626180 BZAJQKPIAOVKMI-CYBMUJFWSA-N 438.334 1.369 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2255825769 FNYUXTXGFFSXRY-CABCVRRESA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267182597 AJYJLYGDVQHMSY-XZDPQHSOSA-N 448.325 1.989 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267195910 MMVYDDFLTALGPR-CRAIPNDOSA-N 446.353 1.943 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267598394 ZFUBJZVOSDJLHR-CQSZACIVSA-N 449.361 1.586 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2267598508 AVRINEZYRIINTQ-HZSPNIEDSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2337061517 AHTIRLSCYBQBFU-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE N#C[C@@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@H]1CCO2 2364288481 OEGYDTKAPZNABO-IIBYNOLFSA-N 431.514 1.787 30 10 IDEE C#CCN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 111047493 SWMHWHMCYOGTFD-CJNGLKHVSA-N 443.447 1.415 30 10 IDEE N#Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1 440192119 VOYWFSGJGCYAOH-IBGZPJMESA-N 429.498 1.824 30 10 IDEE COc1cccc(-c2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)n(C)n2)c1 446533925 ZIZDISOZBUVQPQ-UHFFFAOYSA-N 440.504 1.109 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C(C)(C)C)cn1 480939860 TVKXQXRSTQZBET-GHTZIAJQSA-N 435.532 1.724 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2c(Cl)oc3ccccc23)c(=O)n1CC(N)=O 536384107 WLZIDMBYSBYTSV-UHFFFAOYSA-N 441.896 1.667 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C3CCN(C)CC3)c2=O)c1 540697858 LEHGUYYMTRDAJK-UHFFFAOYSA-N 440.569 1.617 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@H]2CCCO2)CC1 549479345 LKRIJTULKUSWQO-OXQOHEQNSA-N 442.495 1.882 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 555240063 GAHHKQAFGBBGCW-CQSZACIVSA-N 426.568 1.323 30 10 IDEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 585779881 WNTXHHSDKXEYDT-UHFFFAOYSA-N 446.504 1.458 30 10 IDEE COc1ccc(CC(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCOCC1 609229855 WCZOOPRWFUFRFK-UHFFFAOYSA-N 447.488 1.586 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)nc1 613249349 GPPBDWOIEMOKPJ-UHFFFAOYSA-N 439.495 1.792 30 10 IDEE CS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 619104005 BWOCULXRGZRVKQ-UHFFFAOYSA-N 425.514 1.628 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729670477 TUHVKVOSVLKIRM-UHFFFAOYSA-N 435.553 1.919 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(=O)N(C)CCCC 731482832 OHENOONSKKOCQJ-INIZCTEOSA-N 426.560 1.370 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)NCc1ccco1 732305877 GENVNFGESUGQMX-UHFFFAOYSA-N 432.502 1.311 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732648819 ITHACWQWDGJLIW-IBGZPJMESA-N 432.546 1.489 30 10 IDEE N#C[C@H]1CN(C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CCN1C1CC1 732698921 OKGZKHYGXGBJNR-FQEVSTJZSA-N 436.516 1.704 30 10 IDEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(c2ccccc2F)C1=O 732789193 KSVPXXRLCQWNGK-KRWDZBQOSA-N 444.488 1.518 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 753353958 CCVBUFBSXHIZCF-UHFFFAOYSA-N 437.585 1.653 30 10 IDEE N#Cc1ccc(NCCNC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)nc1 754840785 BBBVIBJBTVCBBP-UHFFFAOYSA-N 442.545 1.790 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 764995085 PQZTYKXVGXBCOK-UHFFFAOYSA-N 449.532 1.304 30 10 IDEE COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 769870256 FQJDJFLGGLAJJX-UHFFFAOYSA-N 431.583 1.697 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782884921 RQOFIYJSGJGXKX-SKDRFNHKSA-N 434.415 1.960 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCCn2ccnn2)C1=O 784126929 PXWIGMRMWAGMRO-KRWDZBQOSA-N 429.550 1.368 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 784789872 FAWURGNQJBSDEB-FQEVSTJZSA-N 449.442 1.432 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)n1 788855939 OHRJWCRZOSKODF-QFIPXVFZSA-N 425.533 1.748 30 10 IDEE N#C[C@H]1CN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCN1C1CC1 789308510 DMIYUFCYORGVRN-RXVVDRJESA-N 443.523 1.225 30 10 IDEE COCC1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)CC1 793479276 FAAJMHZLTPBUBH-MSUUIHNZSA-N 436.509 1.293 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C[C@@H]1CCCO1 802682464 VFYCQHVLBQANHW-SFHVURJKSA-N 445.545 1.214 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807934896 OHPSPJHHYUEXFT-CZUORRHYSA-N 434.543 1.451 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2CC(F)(F)C2)cn1 813564181 WHTFAUAMRCOSBD-OAHLLOKOSA-N 442.536 1.948 30 10 IDEE Cc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 920667934 ZTDNJTRJTBLNHR-UHFFFAOYSA-N 447.538 1.547 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 1135967104 MKXIKUYBWUFWAG-LJQANCHMSA-N 444.488 1.107 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)s1 1137521968 YBYRQXOIKJPDKG-AWEZNQCLSA-N 425.576 1.805 30 10 IDEE C#CC[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1148871237 JBSVPDSRSFNNPG-WMLDXEAASA-N 446.978 1.293 30 10 IDEE COC(=O)c1ccc([C@@H]2CCCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1C 1159558094 FFDBUAXCBVFUBZ-SFHVURJKSA-N 444.513 1.715 30 10 IDEE N#Cc1ccn(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(=O)c1 1166530352 HBMYZPMFVFSXET-UHFFFAOYSA-N 436.877 1.033 30 10 IDEE C[S@](=N)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1197574012 PNOUUKOSXHDMND-RKXCMPKHSA-N 448.593 1.565 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1286315328 WLCATHGUROMSQX-SJORKVTESA-N 440.552 1.724 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1286383607 DKAKHIBZUPMOQZ-CVEARBPZSA-N 428.580 1.019 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1286393993 NDXMUQXWIVKAFC-LJQANCHMSA-N 439.545 1.096 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC1(N2CCOCC2)CC(OCC)C1 1286405437 COFPIYYIEOSGIO-UHFFFAOYSA-N 436.560 1.626 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1286417152 XGSTXJWFDVWNEC-UHFFFAOYSA-N 434.544 1.402 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286459039 IOUSZULSXGUOMI-OAQYLSRUSA-N 434.544 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(C)CCCS2)CC1 1286490687 OVRPJPQRBMJOLY-KKSFZXQISA-N 430.578 1.481 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286603759 KAUCNZRBRRCCBD-QGZVFWFLSA-N 448.545 1.932 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286656665 PMWHTDZNOPFXIZ-AUSIDOKSSA-N 447.580 1.828 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286686377 GTLFMQIBODJTFW-KRWDZBQOSA-N 431.541 1.160 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1286774794 ISCAXTUEQOXUKA-QGZVFWFLSA-N 439.582 1.125 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1286820745 QVGNUCHPUHFZOZ-UHFFFAOYSA-N 427.571 1.746 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1Cc1cn(C2COC2)nn1 1286971597 KERYBFOOKPNAKB-AWEZNQCLSA-N 426.456 1.803 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1288407627 HUWRPSQXDATSDE-RTBURBONSA-N 440.500 1.855 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1291278984 GBADZPLMMBSUDO-ZOCZFRKYSA-N 445.545 1.371 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1300538485 QWNIEGZEGSHZMS-OAHLLOKOSA-N 435.456 1.298 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1300597586 NGJWWOVTQIMYSJ-GOSISDBHSA-N 425.537 1.742 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1 1300783702 SDBNUTFXWFCNQW-UHFFFAOYSA-N 433.530 1.727 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(CNc2ncccc2C#N)c1 1300985474 DVDSWLAVOQFRFK-DEOSSOPVSA-N 435.528 1.911 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1300991457 MUDWEUPKMUHHQS-UHFFFAOYSA-N 432.525 1.949 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1C 1301425545 WKNODGIEKBFDBE-KURKYZTESA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](OC)C1 1301483789 WRCPHJRKMSBRCJ-INIZCTEOSA-N 445.520 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301575091 BKZWXTBDLVHWHB-APWZRJJASA-N 445.545 1.658 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1301586692 IGLRNJRTFJMWMJ-UHFFFAOYSA-N 447.536 1.420 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)CC1 1302921862 WOKZWAVUSQFJID-UHFFFAOYSA-N 449.536 1.765 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1=O 1303186095 WZZXFVAMSKRHMI-HSZRJFAPSA-N 435.532 1.600 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NC3CCN(CC#N)CC3)nn2)CC1 1306540184 PXLPPVRCVWWYRE-KRWDZBQOSA-N 431.541 1.958 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)c2ccccc2c1=O 1314931239 SPIUUUHBBNGDHB-CYBMUJFWSA-N 445.430 1.202 30 10 IDEE COCC[C@](C)(O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1315977734 BNNOVXDINQXFHD-ZCNNSNEGSA-N 425.505 1.548 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(-c4cnccn4)n3CCOCC(F)F)CC2)nc1 1316533753 COWAVXIWKKTDBK-UHFFFAOYSA-N 441.446 1.610 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1338378089 NJZQLNJORZGWKA-HSZRJFAPSA-N 435.484 1.971 30 10 IDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1358916785 WRUHBLDGODXMGK-UHFFFAOYSA-N 436.516 1.827 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358960322 BSMDNAQYNLVKSE-GOSISDBHSA-N 430.578 1.776 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358965647 YTGMADQVJCATMC-MRXNPFEDSA-N 435.575 1.035 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359024215 ICMZSMNYZAKLDI-INIZCTEOSA-N 435.525 1.162 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1359034264 JVYGOAQNUZFIQF-RTBURBONSA-N 440.596 1.322 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2ccnn2)CC1 1359042715 QYDQRKGEINLWNU-UHFFFAOYSA-N 448.531 1.601 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccnc2)CC1 1359178754 AWZCJULPODGYBE-IBGZPJMESA-N 446.577 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1359328345 AHCTYVIKCUHUKO-UHFFFAOYSA-N 447.561 1.613 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1359455694 YMWDGLHEVSSSFA-UHFFFAOYSA-N 436.520 1.337 30 10 IDEE CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359657202 CZOOHXGWLBJGGP-UTKZUKDTSA-N 433.532 1.313 30 10 IDEE COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1438824546 WDANBQZHMYHEIO-UTKZUKDTSA-N 426.558 1.769 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cc2c(cc1OCC)C[C@H](C)O2)c1cc[nH]n1 1443099661 FSOSFMSQDXEQBV-ZDUSSCGKSA-N 430.461 1.732 30 10 IDEE Cc1oc(NC(=O)[C@@H](C)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)c(C#N)c1C 1460224264 GGKXACWYWDSWMS-GFCCVEGCSA-N 438.481 1.892 30 10 IDEE COC(=O)c1ccc2c(n1)CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1463354658 DICDRSPCSBOEJD-KRWDZBQOSA-N 447.451 1.530 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1464539249 IAMICRLYTHXGPY-MRXNPFEDSA-N 431.493 1.459 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)CC2)c1C#N 1468580781 VBZQNAMVIPGAKR-QFIPXVFZSA-N 425.558 1.999 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(C(=O)N4CCOCC4)CC3)CC2)c1 1470671305 FQWUUQQTLALWSB-UHFFFAOYSA-N 439.560 1.803 30 10 IDEE C#CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 1478608744 CSLJICSRDSMDBW-UHFFFAOYSA-N 434.345 1.832 30 10 IDEE CC(C)(CNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)[C@@H]1COCC12OCCO2 1478796695 FCFQUFRMAJBDOQ-MSOLQXFVSA-N 429.521 1.955 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1496248848 JTIGBASHQYSLMR-AWEZNQCLSA-N 449.519 1.518 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2sc(C)nc2C)CCOC1 1502728136 GLAPUDGZRBJJQR-UZLBHIALSA-N 432.550 1.975 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1503104346 COQFUXNEKFHOCA-HTAPYJJXSA-N 426.521 1.553 30 10 IDEE COc1ccccc1-c1nnc(N2CC(C)(OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1504374829 ALYXPCKWBFMJHA-CZIZESTLSA-N 438.488 1.705 30 10 IDEE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1504603792 ZTHHYFWUWYVKKO-IBGZPJMESA-N 436.495 1.913 30 10 IDEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1505151392 FFJKLZCDDLAPIH-HKBQPEDESA-N 442.545 1.199 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507571604 HJDCJRUFGUGRDC-UHFFFAOYSA-N 438.536 1.361 30 10 IDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1507584705 CGWGBJDDZLXXCR-OAQYLSRUSA-N 439.608 1.928 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507589652 YEIJOUWCVBNEOI-QFBILLFUSA-N 445.545 1.722 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCCCC2=O)CC1 1507732152 SYGJHRDBKGHIBP-HXUWFJFHSA-N 428.581 1.720 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507857654 QRTOMCPMKLBHOA-MRXNPFEDSA-N 441.960 1.830 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507857980 YZQYUNBBZJFGIS-UKRRQHHQSA-N 440.932 1.521 30 10 IDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507950175 AEQXSNOSPMOHDU-KRWDZBQOSA-N 443.577 1.953 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1507967163 CMYMSIHNDNLMIU-OAHLLOKOSA-N 432.550 1.686 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC[C@H]2C)C1 1508129356 DRIGLCZMBXTWFZ-UXHICEINSA-N 429.569 1.642 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)c(OC)c1 1518167609 QWFTZQFIBGRDSQ-INIZCTEOSA-N 433.534 1.807 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1519014261 IFLUFZMMSIZLMP-JXPGLKHUSA-N 430.509 1.519 30 10 IDEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1519162769 HPUWKVMMFDIJBN-UHFFFAOYSA-N 437.504 1.652 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCOCC(F)F)cc1 1521111050 UKFFLVHOWACOJQ-OAHLLOKOSA-N 448.430 1.651 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1521129845 OROCWXCDZWUMTC-XHSDSOJGSA-N 444.458 1.164 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1=O 1534984373 NRWATAQWMOVLIT-TUVASFSCSA-N 434.493 1.256 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1OC 1536346555 OUDVTXNEPAKAMW-GJZGRUSLSA-N 432.477 1.462 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nc3n(c2C#N)CCOC3)C1=O 1537678707 FZJHZHMQJSAYJR-OAQYLSRUSA-N 438.444 1.008 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539128267 XPMCCZIHLXOWMX-UHFFFAOYSA-N 436.607 1.813 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1539194930 JFYKFPXHJNYDOO-UHFFFAOYSA-N 426.521 1.099 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539224887 JSJUWXXLUVNPSM-SLFFLAALSA-N 443.573 1.706 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(O)c2)CC1 1539431550 VLLIHAVBQHLNAE-QHCPKHFHSA-N 425.533 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1539480576 CFBABNACZNTPDJ-WZONZLPQSA-N 429.565 1.689 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539517208 KBEKGBSKWACPNJ-MISYRCLQSA-N 446.621 1.137 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1539631710 MYFWEUMVRZFQMV-KURKYZTESA-N 437.566 1.528 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539742473 DDSDVTLEPFZUFK-NQIIRXRSSA-N 441.580 1.855 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1540869427 MPQFRDKBSFUKAR-HNNXBMFYSA-N 437.504 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCCN(CC)C(=O)C1 1540905559 XFUOJNUGXKZVLD-UHFFFAOYSA-N 445.589 1.837 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1540936730 FCZUJBIZHGHFTL-MRXNPFEDSA-N 445.474 1.503 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(CN2CCCC2)cc1 1541678785 IUIRULRLHSBEHB-HXUWFJFHSA-N 437.548 1.789 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1541799944 QCJPOCINYKGKFG-XOBRGWDASA-N 430.534 1.565 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOc1ccccc1 1541945686 KKIPFJKXMKWVNV-DOTOQJQBSA-N 434.522 1.086 30 10 IDEE C#CC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1542600572 UPZFPEXIBOAXNS-ZWKOTPCHSA-N 431.558 1.942 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1545534283 CFMBIGRCNAXZCZ-FQEVSTJZSA-N 437.500 1.977 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1555597047 GSRCBQBQRJCJCE-QHCPKHFHSA-N 440.548 1.658 30 10 IDEE Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C#N)CO)c(C)c1 1556607626 NKSXFNALLJQEPM-FQEVSTJZSA-N 429.542 1.846 30 10 IDEE CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1558464561 IQLVWFQCIHRSMF-SFHVURJKSA-N 427.530 1.897 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1 1563439703 DDSUXFJGPHOXRP-UHFFFAOYSA-N 441.557 1.712 30 10 IDEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)O1 1566990629 ZLPAEGHEKFARIS-FWKXQSBZSA-N 434.537 1.525 30 10 IDEE NC(=O)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 1587425157 CSBRGNWZMGKROP-MRXNPFEDSA-N 448.932 1.892 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1587638627 GCTRYQUXTORGEJ-RBSFLKMASA-N 425.555 1.551 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1588055235 UHBPWKQOEKNUOW-CQSZACIVSA-N 436.488 1.948 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)C2)C1 1588126688 UHZRULHHVHXPQH-BIWSTMPVSA-N 444.454 1.910 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCO1 1588628678 MLPWSBCXJKFUFB-MRXNPFEDSA-N 432.550 1.503 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCn2cncn2)CC1 1588899521 RANSJRGBHVPBKQ-UHFFFAOYSA-N 438.923 1.856 30 10 IDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)(=O)CC1 1589047939 NYYNMSQDKIHNCI-UHFFFAOYSA-N 442.570 1.732 30 10 IDEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1589371963 SXRIFKJDSDHONP-JKSUJKDBSA-N 426.539 1.441 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1589494173 KNURKHFFOMXITI-NCOADZHNSA-N 427.571 1.485 30 10 IDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cnnn2C)CC1 1594097070 LOIUNCWBSVMSDF-QGZVFWFLSA-N 444.540 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(N2CCCCC2=O)CC1 1595812220 POSFNGVQXFTQBF-UHFFFAOYSA-N 435.594 1.813 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3nc(C)cc(O)n3)CC2)ccc1F 1596355589 SSCJXZNYLJEUEK-UHFFFAOYSA-N 435.481 1.056 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1596576299 HKXBHYXCJYBQLR-SFHVURJKSA-N 426.521 1.852 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1617242492 YXDPMDIEGDATQX-REWPJTCUSA-N 440.548 1.515 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1Cc1cn(C2COC2)nn1 1619911239 MJKBUBFCBCBEPY-UHFFFAOYSA-N 426.456 1.662 30 10 IDEE CC(C)(CCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)S(C)(=O)=O 1621615974 GPAJFBGGHMBBJR-UHFFFAOYSA-N 430.552 1.089 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cn1 1622335526 JDAYWZFOGFBFOG-UHFFFAOYSA-N 436.559 1.560 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1624811199 KBADFMNOQZYWQX-MOPGFXCFSA-N 443.548 1.944 30 10 IDEE C#C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1625161589 ZQGCCHWPMQCIPI-SFHVURJKSA-N 431.489 1.061 30 10 IDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1626150836 XCYMCEUBNIPSNJ-UHFFFAOYSA-N 426.502 1.057 30 10 IDEE CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)S(N)(=O)=O 1626285730 VLBDTPPCOUZYAF-WFOVFMPGSA-N 444.579 1.675 30 10 IDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1626963368 ZNIBKGPADUWENJ-HXUWFJFHSA-N 444.513 1.131 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@H](c2ccncc2)C1 1627809246 YRMRRLRJWPDTJO-AEFFLSMTSA-N 428.514 1.937 30 10 IDEE COCCn1nnc2c1CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2 1628349228 FDBVYRODGYERGD-BXFSZVDSSA-N 444.536 1.596 30 10 IDEE C=C(C)CN1CCC(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1628372868 NGSJWWICXQFYAM-UHFFFAOYSA-N 437.562 1.673 30 10 IDEE Cc1cc(N2CC[C@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)n(C)n1 1630388334 GWJUVOVZHGAPFZ-KRWDZBQOSA-N 429.521 1.601 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC3CCCC3)C2)c1 1630762414 QUHWWUMVZCYQQG-FQEVSTJZSA-N 425.533 1.902 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2ccc3c(c2)OCCO3)CC1 1635907399 QWWKFWCZYPOXJW-AWEZNQCLSA-N 427.482 1.802 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 1645274478 QMFWUPDJAHZIEE-KRWDZBQOSA-N 431.334 1.734 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CN3CCNC3=O)cc2)c1 1648877703 BSLWDWZGZDAOAV-UHFFFAOYSA-N 430.461 1.578 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)[C@@](C)(CO)C3)nnc12 1651154118 AENUMSMGJPLKAH-LHSJRXKWSA-N 427.530 1.799 30 10 IDEE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc2c(c(C#N)c1=O)CCCC2 1652860801 BHADDUQDFYMNKT-NRFANRHFSA-N 432.480 1.981 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1ccc(Br)cn1 1674345277 TXAMVXFYJQFBLP-UHFFFAOYSA-N 439.310 1.560 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1 1675590489 TTWBVUXRASSOEX-UHFFFAOYSA-N 439.564 1.855 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1689850972 KARZWOJWPQHKMK-SJORKVTESA-N 437.610 1.528 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689991334 ZUIPKHFRQYDNSB-CABCVRRESA-N 443.367 1.707 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCN(CC)CC1 1690066319 DWHLJHVMNKWJCS-IBGZPJMESA-N 448.579 1.406 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690565996 ZJXRKEDXECUNAD-RXVVDRJESA-N 432.546 1.524 30 10 IDEE C=CCn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1690653059 AJPVGTMEYSZRDS-NJNPRVFISA-N 435.569 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690718000 XUZKHEGQKQSILP-KRWDZBQOSA-N 442.501 1.058 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1690995991 SEEHSMUAJITLLP-YOEHRIQHSA-N 444.561 1.859 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1692501675 KVVUDLNWJVUKCU-GOEBONIOSA-N 429.500 1.638 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705580175 FHAGDXDGZGAWQI-FCHUYYIVSA-N 446.555 1.593 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1705632926 FKBQKRLBZBWDGM-DENIHFKCSA-N 432.638 1.755 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1705647842 MTJNTLLDSMBGLV-QZTJIDSGSA-N 437.548 1.906 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCC)CC1 1705648246 TWQCQKUSTJHETD-RBUKOAKNSA-N 441.580 1.069 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1705731487 VVHZMPRXVSTCOD-ZDUSSCGKSA-N 448.387 1.970 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1705733831 VNTALZRLWGUQOV-IBGZPJMESA-N 445.520 1.506 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705738474 YZYSNUOSPBBNHE-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1705932179 OCXMBILBJGMSOD-QGZVFWFLSA-N 440.529 1.994 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCCO 1706422416 WVWZORFUAZGQFI-QGZVFWFLSA-N 428.541 1.252 30 10 IDEE CO[C@H](CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1711533304 OQQDENFKIZKAMQ-GDBMZVCRSA-N 436.442 1.879 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1712011915 BFLBUDRDDHEARO-MRXNPFEDSA-N 440.504 1.640 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCc2nccn2C1 1712459836 VUTHZVXYNGKRHX-KRWDZBQOSA-N 426.525 1.226 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1712692156 MATKSVKANFGXFF-HNNXBMFYSA-N 425.461 1.722 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(CC)c1 1722345362 YAYPCMJNQXJLCF-UHFFFAOYSA-N 426.550 1.881 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCN1CCN(C(C)=O)CC1 1722348552 GKVZWOATGIITRM-UHFFFAOYSA-N 445.365 1.941 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1722359052 PHRHWGMXVCZAGE-QGZVFWFLSA-N 447.586 1.559 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1NC(=O)CC1(C)C 1722423479 DLJKRCTWGDHOPT-LJQANCHMSA-N 441.532 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCn2cc(C)cn2)CC1 1722449211 OFGGUWURCLOVMX-UHFFFAOYSA-N 432.532 1.435 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722534433 MZFAXKPVXWZTIP-FQEVSTJZSA-N 428.585 1.488 30 10 IDEE C=CCCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OCC)CCOC1 1722622602 LEDAYKVPVLJWCS-KKSFZXQISA-N 444.540 1.428 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722631245 IEQONISHQULENS-HOTGVXAUSA-N 449.581 1.179 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722700630 OFNAZDPMSLWGFB-RTBURBONSA-N 429.496 1.694 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1722713464 BVPYRADHZIWMPR-LJQANCHMSA-N 436.516 1.880 30 10 IDEE CC1(C)[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCNS(C)(=O)=O)C[C@H]21 1724018307 QWMLDSQBENBANU-QZTJIDSGSA-N 444.561 1.760 30 10 IDEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1728412934 AOAMJJZVQFKQTB-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1729777440 CLHUVYHVDFVCRK-QGZVFWFLSA-N 440.504 1.596 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1731016127 WEQFQTWGRYIBNJ-GJZGRUSLSA-N 434.522 1.061 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740566419 GPDQJHARKCXYGH-BOSXTWCSSA-N 439.582 1.465 30 10 IDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1740606574 IPBLUOJVSHMAPJ-MRXNPFEDSA-N 426.546 1.930 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1740632472 ROPBUWXFXFRZGG-DEOSSOPVSA-N 435.528 1.733 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740671220 BFJFLWKFWUMDSA-MRXNPFEDSA-N 437.566 1.507 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(=O)NCC)CCC1 1740725711 UBGFYRQHGLAINL-DNVCBOLYSA-N 436.582 1.187 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1740781272 ZHQOFCMOVGGLFA-OALUTQOASA-N 438.580 1.938 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740796804 HPJUQDHXEDQPJD-SFHVURJKSA-N 437.504 1.535 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(N)=O)C1 1740951906 QBCGIOLTKQIUME-IRXDYDNUSA-N 426.521 1.649 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1740963716 UXOAIDPLEXCUEL-UHFFFAOYSA-N 440.548 1.820 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)NC)C1 1740978419 USAPFCUBCKXCTJ-QGZVFWFLSA-N 442.545 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740990377 SNFCPXWVWIWDOI-RZQQEMMASA-N 448.549 1.109 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)COCC2 1741906890 ZOYTYLYLKWEJLP-CABCVRRESA-N 432.550 1.748 30 10 IDEE CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1743992174 BYTUUXZWTHZQCW-NEWSRXKRSA-N 431.585 1.962 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1746362765 DEOPEZJTFOIKOF-UHFFFAOYSA-N 433.520 1.924 30 10 IDEE CCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)C1 1746396299 HGJWUSGVUWCPKS-MISYRCLQSA-N 438.532 1.519 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1748639017 AUSPAAOHMIXDEA-JKSUJKDBSA-N 441.561 1.795 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CC1 1748649947 VHRCXPCAOHUADD-MHTXLSKPSA-N 449.602 1.564 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748731052 ZNVSOZVCTPDAOH-BZSNNMDCSA-N 439.582 1.276 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748734747 JTTALMCWPRDQOA-UHFFFAOYSA-N 437.460 1.787 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2csc([C@@H](C)OC)n2)CC1 1748986657 GBSIHODDXUTACU-OAHLLOKOSA-N 426.550 1.646 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1749401640 BFKYHVLEMWULKR-ROUUACIJSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749676552 UUQCHIQKZFWADI-SFHVURJKSA-N 439.564 1.256 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1750005291 ALEMRLJBOFUYOK-PKOBYXMFSA-N 442.520 1.389 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1750517931 FUBURPCMJFGKLU-QGZVFWFLSA-N 444.561 1.732 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NC(C)C)CC2)c1C#N 1751827402 DTUXHCOBNZYGLF-UHFFFAOYSA-N 441.584 1.632 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760118097 YAEDITYBNUIFBE-BXWFABGCSA-N 445.545 1.530 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1760220101 BVPNEBVOZOCULV-UHFFFAOYSA-N 431.537 1.799 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCNC(=O)OC(C)(C)C)CC1 1760259506 CRVLGWAGWDNGLQ-QGZVFWFLSA-N 445.568 1.289 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(SC)CCC2)CC1 1760268938 RVWVPDOCFSEGMA-UHFFFAOYSA-N 427.578 1.930 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1760289133 MHKWMKHWRJLPOZ-VBKZILBWSA-N 431.518 1.657 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1760585991 GXHCTEQESZCYTE-SFHVURJKSA-N 436.520 1.957 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1760700564 QICIKAPCGAJGDK-SOUVJXGZSA-N 429.529 1.821 30 10 IDEE Cc1cc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NC(C)C)CC2)no1 1761692457 BDAMQROTPRYLMH-UHFFFAOYSA-N 448.531 1.960 30 10 IDEE CN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1767130753 MGZMDEJDWSIWQW-UFOSLELVSA-N 441.517 1.454 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)CCO1 1767726158 CVXVEQLYPZBZBL-WMLDXEAASA-N 430.534 1.431 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1769049887 FILRJPMLAXQRPE-IEBWSBKVSA-N 444.561 1.713 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1769710364 ZMEAOXGBRCARTN-JTSKRJEESA-N 437.504 1.810 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1770325977 AONKWWQGVMMJMR-RBUKOAKNSA-N 445.545 1.841 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 1772566382 OBRGDPCBPROEBW-SNVBAGLBSA-N 443.455 1.643 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1772566970 VEYYFSWDDGSGLP-KBPBESRZSA-N 444.458 1.327 30 10 IDEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N(C)C3CN(c4nccnc4C#N)C3)n2)cc1 1849829188 ROTRWUHBVWAWFK-HNNXBMFYSA-N 445.483 1.489 30 10 IDEE COc1ccc(Br)c(S(=O)(=O)NC(=NOCC(=O)N(C)C)C2CC2)c1 1853466707 KCKIKKPGWIEUEG-UHFFFAOYSA-N 434.312 1.564 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(Cl)ccc3C)C2)CC1=O 1856804736 FBVKIXSIMKEHHA-ZFWWWQNUSA-N 428.894 1.531 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)C[C@@H]2CCOC2)CC1 1857272159 SEKWNMHXZBIRNS-INIZCTEOSA-N 431.514 1.843 30 10 IDEE CN(CCC(=O)O)C(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651284 MACTWSLPCWBDPE-UHFFFAOYSA-N 444.469 1.293 30 10 IDEE N#Cc1ccccc1NC(=O)CCc1nnc(NS(=O)(=O)c2cccs2)nc1O 1860905507 BAZOLZKWLFBTBL-UHFFFAOYSA-N 430.471 1.882 30 10 IDEE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1cccc(C#N)c1 1866606176 CJVPHIWZWRMWAX-OAHLLOKOSA-N 447.495 1.863 30 10 IDEE C=CCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870447519 UDXVIBXBVQBEHV-UHFFFAOYSA-N 427.501 1.917 30 10 IDEE CCCCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN(CCO)CCO 1870682766 FVBYHJRTDJTSSA-UHFFFAOYSA-N 439.597 1.900 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871623780 DEXYKIRDSDWDMF-UHFFFAOYSA-N 441.536 1.325 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562172 QIVRHMXDIKZMRP-UHFFFAOYSA-N 439.564 1.452 30 10 IDEE C=CCn1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2c(N(CCO)CCO)ncnc21 1873647092 XSBWGVJRLCMODU-UHFFFAOYSA-N 440.460 1.877 30 10 IDEE CCOc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 1874333089 GVPYVHXMLOCIBL-BMZJSHLCSA-N 446.533 1.566 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NCC#CCN2CCOCC2)[C@H]1c1ccc(C#N)cc1 1889191025 KXZHDUBRMVLWKN-YADHBBJMSA-N 440.569 1.404 30 10 IDEE CC(C)(C#CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)NC(=O)OC(C)(C)C 1897838464 ZVEOMXASGCKIPY-HUUCEWRRSA-N 425.526 1.780 30 10 IDEE C#CCC(=O)Nc1c(I)nc(C)nc1I 1975072111 WOSXMORYZYKRIV-UHFFFAOYSA-N 426.983 1.956 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC(CO)C1 2018339955 GNFRVSJBEQZROE-DBWCEAHUSA-N 438.525 1.624 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2243677314 USEMDDLNEUCLBG-ZDUSSCGKSA-N 426.344 1.549 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2247822653 HKONUIOVNXZBHO-GFCCVEGCSA-N 441.359 1.366 30 10 IDEE Cc1c(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255534140 CMQFCUWJYPPZLL-UHFFFAOYSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2255628983 PHCUDGUODPYYKL-VHDGCEQUSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255641549 SPNHFKTWKHGMAL-CQSZACIVSA-N 432.330 1.763 30 10 IDEE Cn1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255655500 NHHAVBLDVWYWRA-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2255806668 IQIUKTQLZJLZPZ-HIFRSBDPSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255843627 JOOPYHUMNJWMET-UHFFFAOYSA-N 430.314 1.469 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2266997473 UVBQGIUDOWPEKF-STQMWFEESA-N 439.243 1.759 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)n1 2267108723 INLWSTTVWNSEOA-IHRRRGAJSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC2)C1 2267163336 GVBRMPKDNDEJFO-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267876697 OPIOZCWJNUVAKX-RCDICMHDSA-N 444.341 1.905 30 10 IDEE CN1CCN(C(=O)c2cc([C@H]3CN(c4nccc(C#N)n4)CCO3)nc3ccccc23)CC1 2296587813 QKCGGULIYWJCKY-JOCHJYFZSA-N 443.511 1.862 30 10 IDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccc(F)cc1 10498319 QNSFMXZMFAZOKA-UHFFFAOYSA-N 433.509 1.680 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)cc2C1=O 22599918 IOLDXKXRRDAXMI-UHFFFAOYSA-N 446.507 1.543 30 10 IDEE COc1cc(Br)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)c1OC 169883486 NPIXLXYDHQLWDA-IDUWFGFVSA-N 443.279 1.606 30 10 IDEE C#CCNC(=O)[C@H](C)Oc1c(Br)cc(S(N)(=O)=O)cc1Br 215984796 RBQPKTDSNBYNBM-ZETCQYMHSA-N 440.113 1.376 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 446622436 DMAFQRLZCZXHQE-XEVCZEQESA-N 441.532 1.924 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 461327704 TYVCQAMLUXEYSP-UHFFFAOYSA-N 435.550 1.054 30 10 IDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCCOc3ccc(C#N)cc3)c2)CC1 466100955 GXABETHWOCXJOF-UHFFFAOYSA-N 443.529 1.695 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN(c4nccn(C)c4=O)CC3)c2C#N)C1 467175787 KMMPKXPBHSORQT-HNNXBMFYSA-N 440.573 1.989 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C2CC2)c1=O 478855028 ZIJGSSWYWQECIG-UHFFFAOYSA-N 429.517 1.602 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)Cc2ccco2)cc1 499119160 SOYMXUZPWXCUIR-GOSISDBHSA-N 449.554 1.918 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508506148 DYZPTJZWJUOTAH-UHFFFAOYSA-N 446.577 1.135 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508508080 JOEWORBJGWJTHD-UHFFFAOYSA-N 440.533 1.581 30 10 IDEE Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508761351 HJRYZQXQNVCOLE-UHFFFAOYSA-N 430.520 1.582 30 10 IDEE CS(=O)(=O)N1CC[C@H](CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 514127489 VSYDSDJDMOARQJ-CRAIPNDOSA-N 441.395 1.913 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 517784503 HUEXABCBBJWXFX-UHFFFAOYSA-N 440.469 1.080 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CC(N)=O 524281037 CGKSZLCMRJSPTA-UHFFFAOYSA-N 436.320 1.574 30 10 IDEE CN(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(=O)c1ccc(Br)o1 546169849 ORZMJBGFHGHIPO-UHFFFAOYSA-N 432.278 1.730 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCOC2)c1=O 575634660 ZLWQHDXDGUKAIU-CQSZACIVSA-N 442.512 1.966 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CC1 604176069 UPYDMGPCVOMCNR-UHFFFAOYSA-N 441.576 1.240 30 10 IDEE N#CCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 728852508 NDUWYYQPIIRFLD-UHFFFAOYSA-N 430.324 1.894 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)[C@@H]1CCS(=O)(=O)C1 729331406 MXSLEPPWCZKPMA-SJLPKXTDSA-N 438.571 1.512 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(C(=O)N=c2cc[nH]cc2)c1 734354603 MVYURRUPWHWYGS-UHFFFAOYSA-N 449.492 1.111 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 742820482 HAWYIDQDQQZVIB-KRWDZBQOSA-N 448.589 1.998 30 10 IDEE COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1C#N 746921277 IFVIQTLPSZXGFY-RVPHRTOXSA-N 432.480 1.986 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2C)nn1 754377671 AVSTVXIUZLAKDE-HNNXBMFYSA-N 441.492 1.955 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C1CCCC1 756912119 JGTXIBNDSGJOTL-UHFFFAOYSA-N 431.558 1.600 30 10 IDEE C#CCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 758089208 JZFJKWNPQPZLKX-UHFFFAOYSA-N 439.500 1.641 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cnc1Cl 760378747 UDKWHQAEZRUCSV-HNNXBMFYSA-N 446.960 1.473 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1)c1ccccc1 763434604 JQMMVEHUBLYLOK-IBGZPJMESA-N 448.548 1.593 30 10 IDEE CN1CCO[C@H]([C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccc(Cl)cc2)C1 766245844 GXXLUOKDGGCJLT-KECLDWJTSA-N 447.923 1.537 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780932815 DYIWGIAMIKZWPX-NRFANRHFSA-N 442.541 1.023 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)n1 788618223 XGAHPGYNUDSRDY-UHFFFAOYSA-N 431.518 1.638 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)n1 789322954 TUCBTTYHFLFNHN-LJQANCHMSA-N 425.533 1.408 30 10 IDEE COC(=O)C[C@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 789891477 XOPFNDLFJVNAQM-NRFANRHFSA-N 447.488 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2)CC1 793151121 VUMXOTMXMBQMRY-KRWDZBQOSA-N 427.505 1.885 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 794764798 GSZOBZSXLHXTCE-WDUKFBBWSA-N 449.529 1.090 30 10 IDEE C[C@H](C(=O)OCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)n1cnc(C#N)n1 798743017 BOZGDEBNIYTCIS-CYBMUJFWSA-N 428.474 1.082 30 10 IDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 803643278 YADBWOXWAQTVEU-FQEVSTJZSA-N 430.530 1.850 30 10 IDEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)c1 813562642 AIZZGFCHMMIWOV-WMLDXEAASA-N 433.578 1.383 30 10 IDEE C#CCCN1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1136962721 WONXHDCCBRXGJQ-UHFFFAOYSA-N 448.770 1.967 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cc(F)c(C#N)c(F)c2)C1 1177462165 HEYXAXUZRPJPPZ-CYBMUJFWSA-N 443.472 1.990 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OCC 1193573397 LFPWLFGVHVGCIV-GFCCVEGCSA-N 425.912 1.451 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)NCCn1cnc(C#N)n1)C(F)(F)F 1228011344 TWFUDBVMRADXHW-INIZCTEOSA-N 431.419 1.781 30 10 IDEE C#CCN(c1nnc(C)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286385684 YUDDBCJRZVOGGK-KRWDZBQOSA-N 433.509 1.091 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2nc(C)no2)CC1 1286482626 UYNWDYDAYJXHPG-UHFFFAOYSA-N 426.550 1.713 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286592973 FNPOKDAKIRTBGL-LEWJYISDSA-N 432.613 1.979 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286712134 ZHJAWBAPFONPSL-GOSISDBHSA-N 448.593 1.881 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1286767599 WUKSSHQEPWMKSX-HNNXBMFYSA-N 434.518 1.747 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286784676 PSXQJWHIDGMZKN-UHFFFAOYSA-N 433.516 1.568 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1286792461 YOWIIVPKUHPUTC-JOCHJYFZSA-N 426.521 1.478 30 10 IDEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1289436616 OWVXAKCLSSBOPM-SIKLNZKXSA-N 444.557 1.347 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H]3NC(=O)CC3(C)C)CC2)c1C#N 1290576713 HECFMYWBNCCNJP-QGZVFWFLSA-N 439.568 1.556 30 10 IDEE C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291146371 CJMUMKGWGSNTDO-RMYFCYLKSA-N 436.476 1.298 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1300302591 CETZJOJLHPQMLM-GJZGRUSLSA-N 429.529 1.422 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC(C)C 1300432264 FCYFDQKCKXAAPK-UHFFFAOYSA-N 432.550 1.544 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300500517 AOTYCPAKDZDYDP-QZTJIDSGSA-N 447.605 1.854 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1300504232 KTBTYXJBCPYXHW-LJQANCHMSA-N 444.557 1.619 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1300537679 IEUGSDUJYBIIRX-UGKGYDQZSA-N 435.528 1.832 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1ccnc1C 1300657507 MPBNSDLODVHLFW-UHFFFAOYSA-N 442.545 1.640 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)on1 1300665097 XLMMRAHKBNCLPE-UHFFFAOYSA-N 433.472 1.623 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(CCC)C(=O)C1 1301491018 CBKGJTRPGLFDMM-UHFFFAOYSA-N 426.521 1.705 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1C 1301501683 ZRSGRWPMVVTYSY-DLBZAZTESA-N 431.562 1.988 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N2CCOCC2)C1 1301568076 NGEKOBUZZXMTQQ-QWFCFKBJSA-N 447.580 1.837 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1302461662 BOTFHCHPCRHOER-UHFFFAOYSA-N 444.561 1.861 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1303640088 HPCSYNZHPFBPOZ-HUUCEWRRSA-N 443.533 1.674 30 10 IDEE Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2)n1 1304269924 ASHNVWPSVMHIJA-VBKZILBWSA-N 427.486 1.553 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1313894925 DZHBQSMHGKZYIP-MOPGFXCFSA-N 428.562 1.924 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1313951607 ACASIABBPYUZBF-XUVXKRRUSA-N 431.585 1.174 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C[C@H]1O 1315110099 STFUQOMRAZGXEN-RTBURBONSA-N 435.488 1.464 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1316351366 MRFCVPYIFSENDM-ROUUACIJSA-N 431.518 1.246 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCN(CC)CC1 1358887604 ZTYJVPOFSJRULL-DLBZAZTESA-N 427.553 1.490 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1358955234 IDNAGJDTPLFYIP-GJZGRUSLSA-N 443.520 1.478 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1358960828 MOZGDKBPNKXNSS-OXQOHEQNSA-N 445.570 1.869 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1358984109 IUGBKUAZCGRSNK-MBSDFSHPSA-N 434.500 1.726 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)c2ccccc2)CC1 1359047345 CKCKHUTVMFQMGV-QHCPKHFHSA-N 425.533 1.688 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359122111 YGLVGQZSFMLRQQ-ZNMIVQPWSA-N 433.525 1.915 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359122118 ZAODKPRTNWIKLE-ROUUACIJSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1359302418 HGGQDLRZQHQHHV-UHFFFAOYSA-N 447.547 1.300 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1359305402 BWZYNDRHDJQUGI-FCHUYYIVSA-N 435.569 1.874 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1360257373 LQPXSSIPTDWUBU-BCHHYXHLSA-N 447.565 1.273 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1360469400 CDVNYDMLJLZZDY-OAHLLOKOSA-N 432.550 1.955 30 10 IDEE CCCN(C[C@H]1COc2ccccc2O1)C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 1441413846 CSIOHCMWOFDLIM-HNNXBMFYSA-N 430.461 1.772 30 10 IDEE N#Cc1ccc(OCC(=O)NCCNS(=O)(=O)c2cccs2)cc1Br 1458129079 MEEFVDVUIXTGNK-UHFFFAOYSA-N 444.332 1.856 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2C)CC1 1463913375 AHFFJMSAHGKMHC-UHFFFAOYSA-N 448.770 1.467 30 10 IDEE NC(=O)C1CC2(C1)C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)CCS2(=O)=O 1472222607 TYSISVWKKZOLDL-DBQDNQAGSA-N 428.432 1.384 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1503275561 YCFDKWXVQDOPIF-KRWDZBQOSA-N 434.522 1.012 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1503276356 YEKPFZZVDMGQGJ-LJQANCHMSA-N 436.513 1.725 30 10 IDEE CN(CCN1CCOCC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503619641 QNEYPYXSQAODBA-VZCXRCSSSA-N 443.552 1.231 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1507852542 BBQWNBYWPDJOFM-OAHLLOKOSA-N 447.005 1.189 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)(C)C)CC1 1507884596 KDYBEYIPXORRGP-IRXDYDNUSA-N 441.598 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508132048 ULFGFCDKFGTWKH-IRXDYDNUSA-N 439.582 1.220 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508463412 CGPBXGJFSDZQPG-GOSISDBHSA-N 435.532 1.790 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1508778294 GYEGAFVCTHSEJZ-QGZVFWFLSA-N 434.508 1.130 30 10 IDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)s1 1511741112 DAZIJUKRXUUPFQ-UHFFFAOYSA-N 446.562 1.205 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCO[C@H](C)C1 1513871942 RFWMEZMYXDFMIR-MRXNPFEDSA-N 425.537 1.876 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517597564 HIEPHYYAOFRCHW-WBVHZDCISA-N 439.524 1.033 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1(C)C 1518635022 OSUNXDCCGDPEHX-QGZVFWFLSA-N 433.534 1.635 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C[C@@H](C)O1 1518911212 BXOAKKJIIIBTMO-UEXGIBASSA-N 440.548 1.778 30 10 IDEE CS(=O)(=O)CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1519523840 LHETXHBPLJODHU-GOSISDBHSA-N 426.518 1.057 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1519773069 QTJQABDJRNHTDD-UHFFFAOYSA-N 442.335 1.237 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1524527432 NQGXCVRXHGMSKC-AWEZNQCLSA-N 426.315 1.367 30 10 IDEE COC(=O)c1cnn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)c1 1527430952 LSIHINFDRZMVSP-PTGBLXJZSA-N 447.517 1.901 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CN(C)C1=O 1538983436 RWXODLGOYHLMLZ-VFNWGFHPSA-N 444.561 1.132 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1539202795 LJLUIELAEGIWBJ-FUHWJXTLSA-N 435.594 1.725 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCc2ccco2)CC1 1539454011 URCAQQDZNBENJI-UHFFFAOYSA-N 448.527 1.542 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(C(=O)NCC)CCC2)CC1 1539476082 SEAHRPUKUFAEFC-UHFFFAOYSA-N 449.559 1.612 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539734982 HEDCXIZDMVBQER-IBGZPJMESA-N 444.561 1.927 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540916374 AQWYWKNVNWKFKS-QGZVFWFLSA-N 443.577 1.522 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1541099299 WPPSYUFWJIMORU-CRAIPNDOSA-N 439.524 1.033 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)CCOC1 1541733329 OGZICVSXQXCHON-LPHOPBHVSA-N 425.555 1.163 30 10 IDEE CCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547007565 XYBGMQMFYOYTKZ-SFHVURJKSA-N 438.536 1.496 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1548324241 WSPWFQSZRNTGAZ-OALUTQOASA-N 447.561 1.945 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1555741512 UYJFEWQSILCODG-ULQDDVLXSA-N 437.566 1.567 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)cc1 1558740718 NGIIBMMPZGIHKY-ZDUSSCGKSA-N 437.909 1.309 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 1563583950 NHAOZLXYJGZFNK-AWEZNQCLSA-N 443.367 1.175 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1586900041 ZSXFFFBOKQZHTR-DJJJIMSYSA-N 428.917 1.859 30 10 IDEE COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1587942164 GNUKJCLAFDLYNE-LAUBAEHRSA-N 449.529 1.138 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588065387 XWTAMJCSJVFKHM-PMACEKPBSA-N 443.573 1.850 30 10 IDEE C#CCC1(O)CCN(C(=O)CNC(=O)c2ccccc2I)CC1 1588765620 KIRCRJQGITVJCX-UHFFFAOYSA-N 426.254 1.398 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1593777051 ULTMJSLFRBDTGG-GHDARCQNSA-N 436.553 1.979 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1595730729 YHAGIHFZGMLDSF-OAHLLOKOSA-N 425.580 1.970 30 10 IDEE C=CCSCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1595905706 ONROAZVXFIXXES-WIYYLYMNSA-N 437.610 1.759 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1598356090 WNUDEVAJGQBEQB-IBGZPJMESA-N 428.533 1.758 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4cc(C#N)ncn4)CC[C@H]32)CC1 1612487495 HAGVNXZBQBLCDD-IAGOWNOFSA-N 427.509 1.720 30 10 IDEE CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1618808467 HXYCRSGLXXPHCX-UHFFFAOYSA-N 448.506 1.737 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 1625160877 OOMLMHNCGFBFJQ-NUEBPYFOSA-N 435.424 1.185 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCn2cnc3c(N)ncnc32)c1 1626814265 XJMQERMJZSQRQM-UHFFFAOYSA-N 429.506 1.035 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21)c1cc[nH]n1 1632876332 HZLVHRDWTQDSNE-KBRIMQKVSA-N 447.289 1.911 30 10 IDEE CN(C)CC#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1635386570 NVEJNTKNAHWTCX-UHFFFAOYSA-N 429.498 1.553 30 10 IDEE COC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)nc2C1 1639506769 KYJJWTCZXQXOTG-ZDUSSCGKSA-N 448.526 1.784 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)C2)c(=O)nc1O 1648787843 YQUWKAOASCJCEV-ZDUSSCGKSA-N 440.435 1.287 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1649538317 BMISSYWRAVGILA-GAJHUEQPSA-N 441.532 1.914 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)CCOC1 1659497975 HIZZFSHVSGWFIY-LHSJRXKWSA-N 432.546 1.385 30 10 IDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 1663167320 FRAFZCJAAJJBHL-FZMZJTMJSA-N 445.291 1.436 30 10 IDEE C#CCN(C(=O)Nc1[nH]nnc1C(=O)NC)[C@@H]1CCOc2ccc(Br)cc21 1664469296 KTUSGTRKRMYFQL-GFCCVEGCSA-N 433.266 1.918 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 1674237601 HSOIFEVHWRQGAF-UHFFFAOYSA-N 426.502 1.579 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1682698229 VLHNZKSTWNHXPT-MSOLQXFVSA-N 436.534 1.428 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1Cc1cn(C2COC2)nn1 1689865126 OIRMOZQJCNAWFN-INIZCTEOSA-N 437.504 1.925 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 1689981747 AOUITMZBYKJDNT-IBGZPJMESA-N 427.530 1.388 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1689998352 KBWJMXFFLJKTAZ-KRWDZBQOSA-N 428.537 1.748 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1690046575 DMNGBHYUCLBKBK-CVDCTZTESA-N 440.569 1.941 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(OC)CC1 1690659532 VVGBYWOMWBTRLM-NRFANRHFSA-N 427.509 1.623 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1692734144 ATOZZCMBFWOMSF-GOSISDBHSA-N 429.569 1.499 30 10 IDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c1 1693300810 HKZJOQQPEVJNKB-GOSISDBHSA-N 425.518 1.645 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)C1 1696212370 FVFATDZMMMLBKD-SFHVURJKSA-N 432.550 1.761 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705559699 AUFMUSDERRGBRX-DYESRHJHSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1705569037 CPHPDIHPRBJPRM-SFHVURJKSA-N 431.587 1.810 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705569985 LODKUBUPHPCOLZ-QZTJIDSGSA-N 447.586 1.606 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccc(F)cc1 1705630002 CBNGPNHXQFJUGV-QFIPXVFZSA-N 429.496 1.533 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2[C@@H]2C[C@H]2CF)CC1 1705645055 KANDPHJKCSBONO-NJNPRVFISA-N 433.528 1.815 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705650689 XNKYNIBDBZFZCG-WOJBJXKFSA-N 444.624 1.942 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1705805879 QSDCGPWUSJUVEP-QGZVFWFLSA-N 431.566 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1705935231 KTALNAKDVZZABK-UHFFFAOYSA-N 435.525 1.543 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CSCCS2)CCOC1 1706678137 CLZKCSKWIQYCDA-TXPKVOOTSA-N 439.607 1.896 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CCN1CCOC 1709549016 IELWDRDMLPWHCF-HXUWFJFHSA-N 439.564 1.890 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1709850009 AOWFBTVTOKKPTK-GOSISDBHSA-N 449.519 1.688 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)CC1 1710361361 CSLCZUQGJJEFPZ-UHFFFAOYSA-N 435.492 1.755 30 10 IDEE COC(=O)N1CCC(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1711465478 DBSMKXPOQUTVRW-SFHVURJKSA-N 425.493 1.471 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCCOC 1722369847 BBQKCRIPICZXAK-UHFFFAOYSA-N 435.528 1.969 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1722413099 HYRXYIVQWKOHDP-IBGZPJMESA-N 447.561 1.322 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1722419671 AYYYHEXEGKUFLK-UHFFFAOYSA-N 431.924 1.967 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(CC)noc2C)CC1 1722431712 NHAJDGBASPMKOY-UHFFFAOYSA-N 434.504 1.588 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722438130 ZFQULFBHNXXEAE-FGZHOGPDSA-N 443.640 1.549 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN(C)CCCOC 1722466440 VCKARWJFACQNFF-JOCHJYFZSA-N 425.537 1.886 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1722491243 JBPBHXBXGKERSQ-KRXQYRFLSA-N 426.518 1.311 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1722688298 ASCQWQFOHSMIIY-DOTOQJQBSA-N 444.511 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2CCOC2)CC1 1722727876 PBCHKCMYLKHRJM-QGZVFWFLSA-N 432.550 1.589 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(OC)C1 1722730305 OHRZNYDSAYZEKX-UHFFFAOYSA-N 439.563 1.096 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722858158 OJCMSGRGRRJBLY-HDICACEKSA-N 439.564 1.888 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)C1 1723470547 HQZNQFNOUOFBMG-UWJYYQICSA-N 433.532 1.313 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1723645924 JLWUCRSYAVEUET-UHFFFAOYSA-N 433.520 1.401 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCCO2)cs1 1725410452 GMWLIIAETUNPFR-QZTJIDSGSA-N 432.550 1.948 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740570209 CHUZRMSUEQOUGY-OAHLLOKOSA-N 442.549 1.739 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1740573755 HIILOHRWWZAMNK-IBGZPJMESA-N 443.573 1.980 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740615583 HLLZDGWWXRHZKY-KRWDZBQOSA-N 449.577 1.100 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1740618674 AKDHDDBQOCKDNE-RDJZCZTQSA-N 446.529 1.583 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1Cc1nnnn1CC1CC1 1740659158 KMDDWQXGVKLKPK-UHFFFAOYSA-N 434.479 1.904 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1740684056 VGZSRASMNSCMQN-OAQYLSRUSA-N 443.577 1.029 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1740684670 YGAVNWIOLWWJMG-UHFFFAOYSA-N 442.520 1.494 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(COC)CCOCC2)CC1 1740692914 RMYSUJGRWSRDGB-QHCPKHFHSA-N 447.580 1.129 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1740751644 NFIOLFKNWUMLKA-NXHRZFHOSA-N 446.552 1.819 30 10 IDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740796697 FZYSNVSMTFDLCG-MRXNPFEDSA-N 430.484 1.803 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1740887575 DHTQREKEZMPTKH-LPHOPBHVSA-N 427.571 1.488 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1740966650 VJAWYHXUVYKBSN-FGTMMUONSA-N 432.569 1.953 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C(=O)NC 1740969597 SOVWLOMAIJJQGM-WBVHZDCISA-N 426.521 1.661 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc([C@H](C)O)cc2)C1 1740972718 LWGQSCMNNYNYAS-TXPKVOOTSA-N 449.577 1.771 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCS(=O)(=O)C2)CCOC1 1741123937 CFUWTANFNGSUQE-FUHIMQAGSA-N 439.582 1.739 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1741172001 ZTMQUEGUWPBZIX-WOJBJXKFSA-N 429.613 1.989 30 10 IDEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1743111143 CVKYCMDLTGXGAT-INIZCTEOSA-N 433.534 1.779 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccc(C(N)=O)c1 1744697099 HZFKHLYBFVBIAZ-MRXNPFEDSA-N 445.531 1.559 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1748088498 VVPLBGLFFRDAGN-OAQYLSRUSA-N 427.509 1.908 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748765777 UDEKGPIAHQFTHP-QGZVFWFLSA-N 444.561 1.498 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1748810617 YLZSUJGDIPOIEE-INIZCTEOSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1748820709 HVFHNXNQTBCEGX-SFHVURJKSA-N 444.586 1.844 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)C(C)(C)C 1748831630 RTFWVKZWEWFVQN-GDLZYMKVSA-N 446.598 1.969 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccc(F)cc1 1748948811 XDOANQBTSCCUOJ-JOCHJYFZSA-N 429.496 1.647 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1748978864 QRWWRHPCNFNLBA-UHFFFAOYSA-N 438.923 1.507 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1748999465 WYBXOLNLGNGZIA-UHFFFAOYSA-N 433.560 1.968 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749223156 QPXLMWRZNDBDLP-UHFFFAOYSA-N 437.570 1.132 30 10 IDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1749684996 JQPROMDKPGKULP-UHFFFAOYSA-N 433.534 1.229 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C[S@](C)=O)cc2)C1 1749707145 AOLNTNKFIPDALO-SAFKIGCLSA-N 443.573 1.937 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1749731329 BMFUFWGVKHMZNH-MSOLQXFVSA-N 445.545 1.877 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[C@@H]2C)CC1 1749917389 GFIVHUOROAUKIB-PXNSSMCTSA-N 437.548 1.357 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1760192083 DNMDLVNGLNPVNW-RBUKOAKNSA-N 435.594 1.458 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760193435 ZRCVWJOGYDBLAA-IBGZPJMESA-N 431.562 1.578 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCn3ccnc32)CC1 1760257271 SJHSXVAGTRKKGF-OALUTQOASA-N 427.553 1.531 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1760269243 BZILMFIXOQWRTA-XMSQKQJNSA-N 446.621 1.185 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCCC2)CC1 1760271781 LTFFHSHNPUHGQW-UHFFFAOYSA-N 435.576 1.716 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760284562 OQAIKUJBWAGRNO-UHFFFAOYSA-N 436.545 1.217 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1)C1CC1 1760474395 VCSCEQACKMKTJC-GOSISDBHSA-N 443.573 1.994 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]2CCC[C@H]21 1760554523 GJXHWPUJANSLPY-BRWVUGGUSA-N 442.607 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1760558462 PNSUCLHCRKPHFZ-UHFFFAOYSA-N 430.534 1.711 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)N1CCOCC1 1761395721 GUIDILYHWDFREI-MJGOQNOKSA-N 437.548 1.629 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1762702679 YOJVHYMLMWACEK-VQIMIIECSA-N 440.504 1.201 30 10 IDEE CCc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763122669 OXYWCFZDEOQUGH-CMTMBAJVSA-N 441.458 1.440 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1771222754 LVFQEFGUZKOHSG-LPHOPBHVSA-N 427.505 1.908 30 10 IDEE C[S@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1771369938 UXNQIWRBXSRKLW-DFYVNMARSA-N 430.490 1.883 30 10 IDEE CC(C)N(CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)C(C)C 1850013834 GDJSDIALEGECDW-MRXNPFEDSA-N 440.532 1.334 30 10 IDEE CN(C(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1)c1snc(N2CCOCC2)c1C#N 1851404951 HEJFMVFRKZKXTR-UHFFFAOYSA-N 447.467 1.865 30 10 IDEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)CN2CCCS2(=O)=O)CC1 1852691741 GCRYJTDLSIVBNZ-UHFFFAOYSA-N 425.514 1.304 30 10 IDEE CC(C)(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cn1 1854036475 DDNIJQJVYIEGAZ-UHFFFAOYSA-N 426.498 1.924 30 10 IDEE CC[C@@H](C)CC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854321752 PTJRAHVQMRWZTJ-AEFFLSMTSA-N 432.546 1.428 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1855354628 MVBJMZUVXMAEAX-QGZVFWFLSA-N 425.938 1.740 30 10 IDEE CCC[C@H](F)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855825635 PMVHSIJKEQFKLR-WMZOPIPTSA-N 436.509 1.130 30 10 IDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)C(=O)C2)C1 1856866971 RGRWLGHHBBJJJD-LJQANCHMSA-N 433.574 1.804 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 1866805416 HADVMIWQYVJEMA-CQSZACIVSA-N 442.497 1.824 30 10 IDEE CCOC(=O)CCN(C)C(=O)[C@H](C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868782820 LDOAHGZMGZCYHQ-DOTOQJQBSA-N 434.562 1.941 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCN(C)C 1870549924 MZLQKCWHSZVDSI-NRFANRHFSA-N 446.592 1.600 30 10 IDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871621324 OBXRHOHPLSBOCX-UHFFFAOYSA-N 440.508 1.656 30 10 IDEE COc1cccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 1873526988 GFFBQZXOCHOCTC-VGTRTNLYSA-N 441.307 1.820 30 10 IDEE CC(=O)Nc1ccc(-c2nc(C3=C(N)N(CCN4CCOCC4)CC3=O)sc2C)cc1 1873528294 PSLUCZIBJCVRAY-UHFFFAOYSA-N 441.557 1.921 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 1889551895 DBHCQMRZEKEQFR-UHFFFAOYSA-N 425.982 1.761 30 10 IDEE C#CCN(C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2022919782 JQWLMLJCVNMTKL-MRXNPFEDSA-N 439.553 1.981 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2243390269 RVDAIJGGDKJMLI-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2243390577 XSBBPFDKRDAQOH-UHFFFAOYSA-N 425.316 1.723 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248412580 LSYDVRLZXMJGBI-DGCLKSJQSA-N 441.359 1.333 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254801704 KNOWZBYINPPKLV-OAQYLSRUSA-N 433.314 1.939 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255544595 BWAPSJWSPUHCSV-GJZGRUSLSA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255827060 GKMMTHRUZAXZCT-ZSEKCTLFSA-N 432.330 1.696 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255875256 VIXQRSLYHYSEIY-UHFFFAOYSA-N 432.326 1.697 30 10 IDEE C[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267610343 ZHZLKBRNPVZVRV-DGCLKSJQSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300304768 OHOFQOCSHBTBJY-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2312844670 AWDQIBOGWUASSY-VBQJREDUSA-N 435.330 1.134 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2337195004 SRQVRUKFRMTIJR-OALUTQOASA-N 436.365 1.923 30 10 IDEE CC(=O)Nc1ccc([C@@H](O)C(=NNC(=N)N)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 254304420 XFCJYQDSCMANJX-QGZVFWFLSA-N 438.404 1.123 30 10 IDEE CCOC(=O)c1csc(C2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)n1 410388465 JHNNTYUSZRCRIB-UHFFFAOYSA-N 430.552 1.606 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 427704512 KAUPCMUCEXFRDC-IAGOWNOFSA-N 435.480 1.597 30 10 IDEE Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1C#N 435752480 KPRURAIFWBAMLE-UHFFFAOYSA-N 434.543 1.604 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 441665188 CJWIVVLOEAKKDQ-UHFFFAOYSA-N 426.395 1.611 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1F 443329382 LTCVIZOONLQAGI-NFOMZHRRSA-N 446.479 1.892 30 10 IDEE N#Cc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc2ccc([N+](=O)[O-])cc12 462867370 IBGPPBUTPGPUPG-UHFFFAOYSA-N 446.471 1.968 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 474520872 SLEQRVCOIOKXEG-ZCLUNYJNSA-N 434.496 1.918 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 478847989 LQXZDRIQQRZEDW-HNNXBMFYSA-N 448.529 1.726 30 10 IDEE CN(CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(F)(F)F 481830735 QTDTWHPUSLEFNO-UHFFFAOYSA-N 433.456 1.068 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 507492820 QINHAWISABEVDV-CQSZACIVSA-N 428.942 1.059 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2F)CC1 508465948 RSJCRIDNFONMSB-SFHVURJKSA-N 430.484 1.452 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508858309 RHEXODLQIWLVPY-HXUWFJFHSA-N 429.550 1.449 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCN1CCOCC1 522538435 GMJQMLHVRXOXCR-HNNXBMFYSA-N 429.542 1.262 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@H]1COc2ccccc2O1 575952078 IHDWYWYTLRKPLQ-INIZCTEOSA-N 425.441 1.868 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3O)OC(C)(C)C4)CC2)o1 727023934 DDHPOXMFZCIOTR-UHFFFAOYSA-N 440.456 1.779 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672482 QDRVIVKBXXLQAJ-UHFFFAOYSA-N 446.536 1.881 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 732676410 ASXKAJABWXPVFD-MRXNPFEDSA-N 439.607 1.703 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl 747887547 BAFSNDRNSIARBE-CYBMUJFWSA-N 448.936 1.603 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 750045975 QKGUUVNSLBEWKA-UHFFFAOYSA-N 426.498 1.216 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 751922629 NSCLMFIPPVSVEJ-WBVHZDCISA-N 433.578 1.437 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccnc(O)c2C1 757647772 PMACRUVZUFNLAN-QGZVFWFLSA-N 428.514 1.969 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1 763437560 YPWYFILKYPEUEF-UHFFFAOYSA-N 440.500 1.032 30 10 IDEE CCN(C(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 780175038 GJDGLXMDYWGAPA-NJSLBKSFSA-N 430.523 1.215 30 10 IDEE COC(=O)C1=C(COC(=O)[C@H](O)c2ccc(C#N)cc2)N(C)C(=O)N[C@@H]1c1ccccc1 780204454 HYLUYJKFYTVQDA-WOJBJXKFSA-N 435.436 1.958 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)n1 788818825 QWSJEXJDUCZNMG-QGZVFWFLSA-N 440.500 1.562 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 799076443 VHINGRGZLCZITG-HOCLYGCPSA-N 429.336 1.493 30 10 IDEE NS(=O)(=O)c1ccc(C=NN=C2NS(=O)(=O)c3ccccc32)cc1Br 807962226 GUNWIYIMKBOOLD-UHFFFAOYSA-N 443.304 1.169 30 10 IDEE C#CC[C@]1(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)CCCN1C(=O)OC(C)(C)C 809732744 PHGRDAUMFAFFOH-LTUQMJGPSA-N 448.516 1.731 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 810678883 IBJYXWOPHOXPEX-OAHLLOKOSA-N 427.454 1.577 30 10 IDEE C#CCCS(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 810782766 UTCFOFDDZVMILM-OAHLLOKOSA-N 444.962 1.868 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3COCCO3)n2C[C@H]2CCOC2)c1 812380763 PEALWQCZHBZQIG-MJGOQNOKSA-N 425.489 1.459 30 10 IDEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)c1OC 1084310708 BYKXEYSWKISCBX-UHFFFAOYSA-N 444.521 1.718 30 10 IDEE Cc1ccc(C=NNc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)o1 1084485841 DFGRLACKOVRLEU-UHFFFAOYSA-N 435.491 1.530 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C)c2I)c1 1143773019 ZMQRJIUBHHGDJY-UHFFFAOYSA-N 444.254 1.487 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)c1 1158859112 PIRKMDUKWGMHCN-UHFFFAOYSA-N 434.539 1.809 30 10 IDEE C#CCN(CC#C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1167464524 NJMSJJBPPGLIHE-PDGQHHTCSA-N 441.534 1.301 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc(Br)cc1 1190716434 TZQIBGNXGSMXSB-ZDUSSCGKSA-N 434.271 1.632 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1214454806 DFTPGCRXLDQDSB-UXHICEINSA-N 436.516 1.833 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1230746099 MGYZVQHBRAYJOT-AWEZNQCLSA-N 439.538 1.174 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)C2)c(=O)nc1O 1253966740 UFZYZZCNZZCTLG-CYBMUJFWSA-N 432.843 1.458 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1C 1286363367 RUGZWMCXROMOPT-UHFFFAOYSA-N 426.550 1.706 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCc1cnn(C)n1 1286364750 ICYJFQBJXOQOIY-UHFFFAOYSA-N 425.493 1.802 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286395606 SBBWBISLCQPCRF-MANSERQUSA-N 438.594 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1286418337 HUNBEHMNGCJUMY-UHFFFAOYSA-N 442.325 1.586 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286485190 FGLDOULAXMHRNE-LEWJYISDSA-N 429.613 1.158 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1286517778 VTDUWCOIJARTMJ-GDIGMMSISA-N 437.591 1.850 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286709580 YGFPTKKJDUMDTE-KRWDZBQOSA-N 448.545 1.932 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1286715075 BOPFNIVRWGNQTP-UHFFFAOYSA-N 446.939 1.733 30 10 IDEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1290644806 XWNVGCMHLZKMNS-KMFGOTIKSA-N 425.551 1.809 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)s1 1291775947 QBDKQYGHEQPAMH-AWEZNQCLSA-N 449.620 1.075 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1296663220 HTTAUMWRMQGOPD-GCJKJVERSA-N 440.504 1.067 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1298555290 LJXDYFYBYUBSNG-YGCDDZCOSA-N 439.520 1.673 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1300381833 WLFGZKVDRRIUNU-KXBFYZLASA-N 425.555 1.076 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)s2)CC1 1300723270 QUDZYPKIKHIMJD-OAHLLOKOSA-N 446.964 1.958 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1300828237 FSQIHRMZQPZROA-ACJLOTCBSA-N 431.470 1.507 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301251914 JEGICQJPJRTFTH-RBUKOAKNSA-N 442.568 1.947 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1301489939 HPPXZKLUUJGDGC-HNNXBMFYSA-N 440.508 1.723 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1303443663 XAGKRUBEFZMCIN-LJQANCHMSA-N 442.520 1.495 30 10 IDEE N#CCCN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)CC1CC1 1307512305 BOVNZUCQHHAKIU-UHFFFAOYSA-N 434.562 1.896 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1316102668 ZNOIHBQCYJDXSM-CQSZACIVSA-N 448.325 1.801 30 10 IDEE COCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cc1 1316225827 XNHXULMPJIHPFX-OAQYLSRUSA-N 430.484 1.932 30 10 IDEE N#CCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 1319336508 DJMGQCKPNZKWLR-UHFFFAOYSA-N 437.499 1.280 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1337677236 GAJCNRCXHIKZKZ-IEBWSBKVSA-N 449.573 1.874 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1358934159 RVQWLOZDOKOBSA-NRFANRHFSA-N 448.527 1.970 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358961260 VKISUSOCRPSYAB-FTRWYGJKSA-N 432.550 1.159 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358964488 ZXPOAGCCOMHDQM-UONOGXRCSA-N 440.476 1.049 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1358979121 CRFQSBIQYIBGCM-NRFANRHFSA-N 435.528 1.974 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359103273 MDRMJDHAXRBFPP-OOSNJVJTSA-N 433.553 1.622 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC[C@@H]2CCCO2)CC1 1359159383 VEZDUJJXFFJVFI-IRXDYDNUSA-N 427.571 1.630 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359297010 BGEUZLINLWNACA-IBGZPJMESA-N 437.504 1.567 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1359465409 BLCCKFUZTWGLHB-UWJYYQICSA-N 447.609 1.318 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1359478304 QKFYIERVSQBFOR-CMBDLQSPSA-N 434.541 1.796 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1COCCO1 1359854286 SISXXTQGHMLJJV-IBGZPJMESA-N 425.537 1.875 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1360298609 CZLYWDJEEWVQJR-RBUKOAKNSA-N 425.512 1.994 30 10 IDEE CCCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccccc1Cl 1439797831 QVBWYCQCIPUHLS-ORAYPTAESA-N 433.921 1.884 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)C2)C1 1442759112 PNWATMGXJGFSQC-ZRSCRABMSA-N 447.580 1.477 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1452484945 GWKCUQJGYXMXMP-OXJNMPFZSA-N 437.525 1.834 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ncc(OC)c(O)n3)CCCC2)c1 1456405442 ZYRVHRFGMKYSHG-UHFFFAOYSA-N 432.502 1.854 30 10 IDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1n[nH]c(C)c1C(=O)OC 1463518120 JBONWNRTBUKRCX-INIZCTEOSA-N 435.502 1.856 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1 1467700182 OPSBVTLWBJRXBL-IBGZPJMESA-N 426.908 1.989 30 10 IDEE Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ncon2)cc1S(=O)(=O)NCC#N 1469602891 NJZQPESVLZMIRQ-QGZVFWFLSA-N 425.470 1.894 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC1(c3cccc(C#N)c3)CC1)CCS2(=O)=O 1471537452 ADMIXGJOCIQORH-CMVHYPBASA-N 431.514 1.746 30 10 IDEE C=CCONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1475836635 BYRGIIKLEUBBDY-UHFFFAOYSA-N 425.555 1.708 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)Cc2ccccc2)cn1 1503648664 FKHXIGQXHQMUHN-FQEVSTJZSA-N 443.508 1.736 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COCCO1 1507699284 DPHPUZKKAMRBTQ-IBGZPJMESA-N 427.480 1.708 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1507838833 JHFTYKHROOUOEJ-OAQYLSRUSA-N 447.561 1.643 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1508089220 FDNXIOURCXQMKO-JTSKRJEESA-N 445.951 1.922 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1508091938 OJPBYQATZWNOKJ-SJORKVTESA-N 438.444 1.145 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1508096941 LSAXWZYHQZDAJT-QGZVFWFLSA-N 434.541 1.737 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1508142883 BUFXCDWSPPZWME-IBGZPJMESA-N 443.573 1.589 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C 1520270116 GMCIGPCSUCMHFF-QGZVFWFLSA-N 426.535 1.848 30 10 IDEE CSCC[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1520274671 BDPDQTPUBXAIGP-OLZOCXBDSA-N 426.568 1.979 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)c2C#N)C1 1529937767 CPLSVLWTNRGRSW-UHFFFAOYSA-N 429.502 1.718 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCS(=O)(=O)C1 1539155407 USWWBJLXUGXBLK-CYBMUJFWSA-N 440.367 1.940 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539215826 JTYVOJPOJPUKBC-QUCCMNQESA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1C1OCCO1)[C@H]1CCS(=O)(=O)C1 1539221291 ZEJAAJJCFDMGTJ-KRWDZBQOSA-N 430.530 1.561 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539231201 TWNGGOBSWZHZGS-GOSISDBHSA-N 433.578 1.608 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1539239068 GQUOBIPKZGQKRR-ZWKOTPCHSA-N 440.573 1.412 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C)C(C)(C)C1 1539291640 UKXWYWFMYQYNMX-UHFFFAOYSA-N 441.624 1.685 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539323137 CWWFVSPOJOFEIN-ZWKOTPCHSA-N 439.482 1.898 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CC)s1 1539555600 WIEDUHCJMWIENP-TZMCWYRMSA-N 431.605 1.571 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539608815 DGNUYFCFAZAKIE-LBPRGKRZSA-N 427.303 1.196 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCOCC1 1540201383 SHKSEKTUBHLCKY-LJQANCHMSA-N 430.505 1.971 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1540862720 HWTPCPGOCPYJHB-HNNXBMFYSA-N 438.540 1.097 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1540887839 FGPPLUHVGCKGGB-QQMHEVNUSA-N 437.504 1.591 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540900385 TWIARVRLPWWEDT-UYAOXDASSA-N 445.589 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)(F)F)C1 1540902643 NNKABHFEHZLKNE-STQMWFEESA-N 435.472 1.609 30 10 IDEE CN1CCc2cc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)ccc2C1=O 1557393182 CNAIRXCNFXJVSJ-UHFFFAOYSA-N 426.498 1.772 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2O)C(=O)OC)ccc1F 1557591495 JSHPFFCGXAXGDD-INIZCTEOSA-N 436.461 1.510 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(OCCC)c(OCC)c2)CC1 1558073147 MMPNUGQJZWOBRZ-UHFFFAOYSA-N 443.953 1.753 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)[C@@H]1CCS(=O)(=O)C1 1565072641 LFUVIWXNTUZELZ-HZPDHXFCSA-N 425.551 1.750 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2c2ccc(Br)cc2)C1=O 1585679547 TVUPFPSRUZCHMY-AWEZNQCLSA-N 436.262 1.326 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588059741 UBXKWYYHEREMQR-CVDCTZTESA-N 442.585 1.937 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccn(CC)c1=O 1588109661 LMLQQDIUGRAKAO-UHFFFAOYSA-N 439.483 1.224 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588238418 UXROMRNJEJSUGW-NRFANRHFSA-N 430.505 1.021 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1589367434 UXWPCMCNSONWDH-AWEZNQCLSA-N 448.325 1.948 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1589394455 GDBGTPJKUUMBIH-GDZNZVCISA-N 426.315 1.522 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1595496795 HRYWGZVDJHBLQB-HNNXBMFYSA-N 442.476 1.002 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1603004507 KCXCFXAKVDNRAK-MSOLQXFVSA-N 448.549 1.749 30 10 IDEE CC1(C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1611794792 BOQFVEUGJLWZKO-FMQUCBEESA-N 437.504 1.406 30 10 IDEE COC1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1619481813 MFZXDYDQAKSBBR-WIUGKXBGSA-N 425.530 1.827 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1620353742 SECPBSJAOXEZNA-OSCRUYLVSA-N 425.493 1.438 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3c[nH]nc3I)CC2)c(F)c1 1632031592 LJBBTLSYSGQLGP-UHFFFAOYSA-N 425.205 1.987 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1632218778 JXRPFZUEPGXLFS-LJQANCHMSA-N 429.498 1.226 30 10 IDEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1633949491 HBPKVRGUYOFGBI-ZNDDKRQGSA-N 445.932 1.630 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1636966795 FQCWCZOQMMRGJI-IFMALSPDSA-N 439.487 1.877 30 10 IDEE O=C(CCN1C(=O)COc2cc(Br)ccc21)NCc1ccc(C(=O)NO)cc1 1639591059 KPBNLDBWFJAZSB-UHFFFAOYSA-N 448.273 2.000 30 10 IDEE C=CC[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1657637947 RJEIYWKJYNGXDA-ZBFHGGJFSA-N 427.548 1.582 30 10 IDEE C[C@]1(C2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)COC(=O)N1 1660193050 IBNAVELOIVGRBD-NFBKMPQASA-N 443.523 1.745 30 10 IDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC1(C#N)CCOCC1 1672846491 CNXQXKHKYNIRLA-UHFFFAOYSA-N 436.534 1.712 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1 1683314894 BGOZMYWSJLOJTL-UHFFFAOYSA-N 442.904 1.473 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689968781 GPQCSVQBNGSNES-HXUWFJFHSA-N 438.576 1.890 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1690102641 QUVFEWCLZXNXOP-OALUTQOASA-N 428.512 1.757 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)CC1 1690146248 JBIILCKJQYWQQT-GOSISDBHSA-N 444.580 1.300 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690284467 AHWBYYQGDQHQGK-UHFFFAOYSA-N 443.552 1.572 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(C)=O)C1 1690441540 AIMZOSXYGFAMOT-OTWHNJEPSA-N 435.569 1.946 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690744968 VDZHYBFIEDDEMJ-LJQANCHMSA-N 448.637 1.836 30 10 IDEE CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1690800845 GVYNOPDRSAHRNJ-NQIIRXRSSA-N 448.593 1.569 30 10 IDEE CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@@H]1N1CCOCC1 1694911574 LVPSPDUQFXFMGF-LPHOPBHVSA-N 441.536 1.476 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1696875022 BIERAWMBOSRCPJ-JOCHJYFZSA-N 425.537 1.234 30 10 IDEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 1697808460 FNZFSXOISRHHCI-SJORKVTESA-N 437.566 1.506 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705564746 PSSVVGDZYWGZAU-KRWDZBQOSA-N 446.577 1.073 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CC1 1705575768 WOWOZAKWJNLOQT-UHFFFAOYSA-N 428.514 1.612 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705600554 CQSOJOBUJGQAHT-AUSIDOKSSA-N 425.533 1.592 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCNS(C)(=O)=O 1705606347 PDSQASPAPQTVJU-UHFFFAOYSA-N 443.371 1.445 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCOC)CC1 1705637869 PAKSGCFCNMDYGT-UHFFFAOYSA-N 435.532 1.549 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](COC)C1 1705698466 UUIFTMIEYZCAHP-TVFCKZIOSA-N 441.598 1.732 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705869968 KNCKQMKANXSLNV-BXWFABGCSA-N 425.555 1.405 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1705904768 XZRRXLURAOUKOY-MNEFBYGVSA-N 427.505 1.954 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1705907510 OYUAOGGMVJJNSH-GDBMZVCRSA-N 444.561 1.576 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N(C)C 1706782491 BHCGWZGHIXHCIJ-INIZCTEOSA-N 445.593 1.627 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1Cc1ccc(C#N)o1 1706894680 XENIBTWZRBLYJZ-GDBMZVCRSA-N 448.549 1.654 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C1 1706938702 QOBUPQKPUPUOKG-QHCPKHFHSA-N 435.532 1.825 30 10 IDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)cn1 1710188299 DSRHVCICUCTERE-GOSISDBHSA-N 435.488 1.993 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1710308060 ULMSOWVHEOSVQX-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1711019567 GQADNDFKKBPXEB-OALUTQOASA-N 444.561 1.713 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1712458990 DXOMYVZTYSQKES-LJQANCHMSA-N 425.537 1.889 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1722398173 YOJAGGKOWHKONP-IBGZPJMESA-N 445.545 1.332 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2Cl)CC1 1722436611 CMGFMLIZBDQEDY-GOSISDBHSA-N 447.992 1.832 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1722565939 GCXASBPGJQQNGJ-GBESFXJTSA-N 437.610 1.836 30 10 IDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)C(=O)C1 1722591960 TVQAQCLETBAWHR-UHFFFAOYSA-N 444.536 1.903 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722625400 TVQZYEUJQUFFNI-UHFFFAOYSA-N 435.554 1.188 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C 1722696944 VDLKEXAZBFFDBF-ZDUSSCGKSA-N 447.337 1.677 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cc(CO)nn1 1723025324 BHMJOLLHQGXYLX-CBGDNZLLSA-N 446.531 1.813 30 10 IDEE C[C@@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1726581200 DKFXWJFLMGUPCL-GOSISDBHSA-N 437.548 1.787 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2sc(C)nc2C)CCO1 1729679677 AUUBMTZAMVAQDZ-KRWDZBQOSA-N 437.529 1.890 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1731002214 DIGHQQGICQTGQF-UHFFFAOYSA-N 431.518 1.267 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCC(=O)N3)n1CCCCCCO)C2 1731180273 GEXWQLVSJBITMD-KRWDZBQOSA-N 425.493 1.317 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(Cl)cc2)CCO1 1731185638 ATJZKYHBCHPAJF-QGZVFWFLSA-N 430.896 1.975 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1740554134 WRCKWVDOJOEGCO-WBVHZDCISA-N 426.546 1.996 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740620217 OXBFCEPSACLDMY-SFHVURJKSA-N 429.546 1.344 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCOCC1 1740667921 VDRBBHUQXUSXIU-KRWDZBQOSA-N 445.593 1.418 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740711676 QXAQYRFQXMPCSO-OAHLLOKOSA-N 447.586 1.382 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740722787 KAKGEUABHITIMI-MRXNPFEDSA-N 427.596 1.262 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1740752261 VCIMVOAMFIVHIW-IKGGRYGDSA-N 436.582 2.000 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C(N)=O)c2)CC1 1740818852 WWXFINRUFXAHAW-HNNXBMFYSA-N 432.550 1.386 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1740932686 UBMODELWJFPLJJ-MOPGFXCFSA-N 437.610 1.715 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1740954039 ZTXYMXIRUQFSGF-IAGOWNOFSA-N 429.546 1.743 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1740957300 JDHJCQSVIZGFGJ-AWEZNQCLSA-N 428.497 1.141 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1741003608 YHOYPTZGGJOUGH-SFHVURJKSA-N 434.610 1.840 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1741930530 GYZKYTBNHHMJLZ-TWOQFEAHSA-N 446.581 1.477 30 10 IDEE CN(C[C@H]1CC=CCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1747824338 TUKWMNZDKBTJFR-YGCDDZCOSA-N 436.520 1.998 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1748808929 JBCOKNMIKHHAFU-ZCNNSNEGSA-N 444.557 1.623 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1748825289 XKXVJIHCGXKPOE-HXUWFJFHSA-N 445.589 1.750 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1748846913 MHLOENXJVKUBDS-LJQANCHMSA-N 434.525 1.487 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1748979365 YALXGFKXLUYJRZ-LIRRHRJNSA-N 449.353 1.331 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749126521 DETKZTUPWBAFHS-QAPCUYQASA-N 449.581 1.178 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1749547344 OVSXAORJFJGLKD-KRWDZBQOSA-N 445.524 1.804 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749676040 BOHJAMFTILNWGF-SFHVURJKSA-N 435.532 1.907 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1749736171 GASUISHEUKPJGQ-INIZCTEOSA-N 447.561 1.145 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1760154872 KQZKJLMSKRMELO-HNNXBMFYSA-N 438.579 1.426 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N(C)C 1760162782 GLROCEBEBVSQMV-MAUKXSAKSA-N 434.566 1.269 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760185928 HBOWYFPERQMLSC-DENIHFKCSA-N 430.574 1.965 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccs2)n1 1760252422 NKDJVJOZMZPTIQ-INIZCTEOSA-N 440.533 1.217 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760279187 UGYVAFCYSFRPIQ-CYBMUJFWSA-N 441.483 1.550 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1760322582 UUQOWCQXHPDTSF-SQNIBIBYSA-N 434.566 1.494 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760352558 RQRMAQSMAMDFFS-MRXNPFEDSA-N 448.549 1.532 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760510356 UNAMOUQBAIYMSI-CYBMUJFWSA-N 435.472 1.261 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760525227 YFZXZCQEUUKVEI-AEFFLSMTSA-N 429.521 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760556636 KRYVQUVOTNITJW-IAGOWNOFSA-N 444.561 1.731 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1760689531 ZCPKDXNXZFOYPQ-HUUCEWRRSA-N 448.549 1.578 30 10 IDEE CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1760769324 QEVFOCCCSPWMAK-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1761291540 LVARQJVPTYTRTC-IERDGZPVSA-N 434.541 1.352 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1766682072 DXINGTZSOXCCPK-SFHVURJKSA-N 430.534 1.356 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC=C(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1769979336 VCILVMPBBLBTPL-RJCBAWPRSA-N 430.509 1.685 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1770156680 KTAQCJUWFMDGMM-WIYYLYMNSA-N 440.548 1.637 30 10 IDEE CSC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1770394518 YURLJCFAXWCUJT-INIZCTEOSA-N 440.577 1.964 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(COc2ccccc2F)nnc1N1CCOCC1 1770832740 HMENNDMLUONEMS-VXPUYCOJSA-N 442.451 1.359 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)cn1 1771122782 GYZFAYIJZXFRRN-OAQYLSRUSA-N 448.531 1.813 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1772660227 MRLSZXUFVMOQCV-QGZVFWFLSA-N 442.545 1.509 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1849367692 USPUWLKWZSRPPH-IBGZPJMESA-N 449.577 1.671 30 10 IDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)CCC(F)(F)F 1854790033 UJRJHSOBXADZNO-ZDUSSCGKSA-N 431.436 1.832 30 10 IDEE COc1ccc(C)cc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O 1870102834 NXDKCZBNYMWFMY-UHFFFAOYSA-N 429.440 1.864 30 10 IDEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCN(C)CC2)cc1=O 1870387389 BWLZYVRNUHWRTL-UHFFFAOYSA-N 446.573 1.051 30 10 IDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561131 GSPVLOGDDPJARR-UHFFFAOYSA-N 426.521 1.130 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993457215 PECFDBDFUFXFPC-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Oc1cc(Br)cnc1C#N 2078082153 HPMUUUCWGLQOOP-YPMHNXCESA-N 432.296 1.785 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@@H](CO)C1 2254789756 DVMMOBIZAWAHIS-CQSZACIVSA-N 437.321 1.938 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629666 ZLPJJCFZNNENPG-ZIAGYGMSSA-N 434.346 1.942 30 10 IDEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255826564 BLKVXVMXXFLMTB-PWSUYJOCSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256069174 JJRQDFZAQGFRME-HZSPNIEDSA-N 430.314 1.513 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266997159 SWAPEZHIQONYTM-LSDHHAIUSA-N 447.341 1.481 30 10 IDEE Cc1cnc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2267117074 WWVNELIWQSCGJV-CVEARBPZSA-N 447.341 1.399 30 10 IDEE Cn1cc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267134828 VFDHUMWEBKVDCS-NXNIQBKKSA-N 446.357 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267278543 DGZNTCCQTAAGHN-PEBXRYMYSA-N 444.341 1.905 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2267496941 GPOLGNSOROVGRS-IIAWOOMASA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)NC1CC2(C1)CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267550058 UKCMOUDRLPSQCF-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H]2COC[C@@H]21 2267553299 YJSDZCAHKLYJIH-SJORKVTESA-N 447.341 1.774 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2315535869 YQYKSTQXBPCVTC-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@H](O)C1 2322293258 IKLCSTVUACXRJN-AWEZNQCLSA-N 437.321 1.938 30 10 IDEE COc1ccc(OC)c(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329056396 UQYRIIHILFYAKD-HNNXBMFYSA-N 433.534 1.986 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2334269458 YZWCIYDFBMGDCW-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2334270286 VMAAFDQKGDANRV-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 12174447 WJHCKBGRAPMEIX-OSSNUBCUSA-N 428.681 1.666 30 10 IDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 27902743 LZQSAXNMURZOKO-FQEVSTJZSA-N 427.593 1.076 30 10 IDEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc21 429718320 ATGGALPCXQCMBP-DEOSSOPVSA-N 433.512 1.677 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)COc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 431220926 LKLVEBVVZXMHNK-OAQYLSRUSA-N 430.482 1.935 30 10 IDEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 444923839 PJILTPVWCAOXME-HNNXBMFYSA-N 446.895 2.223 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 461342614 JANWANWRTAVHPC-MRXNPFEDSA-N 430.501 1.965 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)ccc21 471051627 ZTQWASGNRNXIQZ-IBGZPJMESA-N 438.406 1.734 30 10 IDEE COc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1NS(C)(=O)=O 475366226 CLRIRVYUXLFPCT-UHFFFAOYSA-N 430.490 1.687 30 10 IDEE CCOC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 482405451 PDCHQGPFZLSFOA-HNAYVOBHSA-N 429.498 1.688 30 10 IDEE CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C(=O)CC#N)CC1 503629130 OWCDKHJOPUEQAA-OAQYLSRUSA-N 442.541 1.727 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4c(F)cc(C#N)cc4F)CC3)C2=O)n(C)n1 506844151 MBIVAQDPRVDTBP-GOSISDBHSA-N 442.470 1.832 30 10 IDEE N#C[C@H]1CN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CCN1Cc1ccccc1 523435287 SXEVCOSAISRILT-QFIPXVFZSA-N 438.576 1.350 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COC)cc2)c1=O 525173279 KTHHCYOIQJVGKB-UHFFFAOYSA-N 426.538 1.965 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)nc1 532140990 ZQQDGEWSOIRIJI-UHFFFAOYSA-N 446.532 1.023 30 10 IDEE COc1ccc(CCCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OC 560700180 DNHWZIRFNBBLMN-UHFFFAOYSA-N 437.500 1.368 30 10 IDEE N#Cc1cc2c(nc1NC[C@H]1CCCCN1CCn1nc3c(cc1=O)CCC3)CCOC2 585623014 WICVZLIQAFPYPF-HXUWFJFHSA-N 434.544 2.038 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3nnc(CC)s3)cc21 586311906 BRZVVTYQPDBBEO-PMERELPUSA-N 448.526 1.582 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)c(F)c1 586813427 STRVNZHECOXGMY-UHFFFAOYSA-N 440.475 1.341 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 589480365 ZNLSORAIWSGDMT-UHFFFAOYSA-N 433.559 1.649 30 10 IDEE Cc1nc(=NC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2ccc(C#N)cc2)[nH]1 610615335 GJQHWPZCAWSYIG-AWEZNQCLSA-N 438.513 1.862 30 10 IDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 729334379 NKADCHZHIKIZPT-CQSZACIVSA-N 430.523 1.165 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140087 UOWXDCUOJOPVIG-YOEHRIQHSA-N 444.561 1.082 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)cc2NC(=O)c2ccoc2)CC1 733148609 DTCKXGPZDCYCQP-UHFFFAOYSA-N 426.448 1.568 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 742175477 UMORYECZRVTQMQ-UHFFFAOYSA-N 440.934 1.370 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 746171881 AYWQYRQBKUSSPI-QZQOTICOSA-N 442.907 1.548 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 757989138 VKOXFBDYNIUFDR-MRXNPFEDSA-N 436.497 1.874 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc3c2OCO3)c1=O 758082739 GSEATDLTTLLWLL-UHFFFAOYSA-N 444.468 1.666 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)n1 760987542 MVTXCVILMZETBH-LJQANCHMSA-N 447.543 1.687 30 10 IDEE Cn1ccnc1[C@@](O)(CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(F)(F)F 764739495 CNWMLMKGDAEYGQ-KRWDZBQOSA-N 434.382 1.834 30 10 IDEE CCCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771582749 NGSCCCBWYFISJV-QRQCRPRQSA-N 428.489 1.786 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2)c1cc[nH]n1 772655266 HLOGMYPAZMCXBY-NRFANRHFSA-N 449.508 1.696 30 10 IDEE COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 795620394 OAWAVMBDYALRAM-AWEZNQCLSA-N 427.451 1.257 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)CC1 795704889 NXEBIWSGKWOKOC-UHFFFAOYSA-N 437.544 1.591 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 813561772 NMESNMWYWAZVPU-RDJZCZTQSA-N 433.578 1.519 30 10 IDEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc(OC)c1 1084475046 VTYDUCFASFVASN-UHFFFAOYSA-N 430.494 1.410 30 10 IDEE COc1ccc(NC(=O)c2cccc(C#CCO)c2)cc1S(=O)(=O)N1CCOCC1 1135574392 UCNVZYFVBBWISM-UHFFFAOYSA-N 430.482 1.312 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCC1CCN(CC#N)CC1 1146579139 JZOXIGSMACKFSK-OEAJRASXSA-N 426.439 1.324 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1149518255 DVLISOWWKWJYQN-RFBLXINOSA-N 437.924 1.946 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159489304 AACFBPIESKLNRO-YCRPNKLZSA-N 431.493 1.677 30 10 IDEE CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605355 OOSYFNZOFFTVGX-RNFRBKRXSA-N 432.333 1.944 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1195946989 PKLSEXIHQWQHCX-FMKPAKJESA-N 448.486 1.848 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc21 1220204404 LXFAAUQTDOXLNP-IBGZPJMESA-N 434.500 1.947 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286386405 ZMZHLMBAFFCYJZ-FHWLQOOXSA-N 437.610 1.528 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1cccc(C)n1 1286463884 VVGQPTONJWGEAY-UHFFFAOYSA-N 443.515 1.953 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN2CCC)CC1 1286470315 XHMGISSYZQDHNR-FQEVSTJZSA-N 429.613 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N(C)C2CC2)CC1 1286493314 NNKIGEWEPYSEPI-HKUYNNGSSA-N 428.581 1.621 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286788116 QJUDPEZWUBWPPT-SFHVURJKSA-N 445.593 1.909 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1286808667 DNXOVQHABLLHBS-UXHICEINSA-N 432.613 1.979 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1286850464 GEIGRWKUIZRWLP-QHCPKHFHSA-N 435.532 1.777 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H](COC(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1291666717 BXUTYBODQZVGJZ-SFEXGQDGSA-N 446.552 1.948 30 10 IDEE COc1ccc(CNC(=O)/C=C/C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1297336283 VOUVJAPROHQWKV-ZJVMWOEPSA-N 432.480 1.657 30 10 IDEE CN(CCn1cccn1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1298725157 OPNBBQWUAKVMIU-HNENSFHCSA-N 426.525 1.726 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1299552859 MJRJXBCOPRYJCL-KDOFPFPSSA-N 437.504 1.618 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1300509236 HTLFDUKYJZSQBO-HZPDHXFCSA-N 433.509 1.568 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1300538983 WIKYWEHRXFMYDZ-GOSISDBHSA-N 428.562 1.462 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1300990512 FEXYLGRMAPIBQA-MRXNPFEDSA-N 446.581 1.699 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)cc1 1303300148 LZLRKEFLMLPTGY-UHFFFAOYSA-N 435.483 1.129 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1Cc1ccc(C#N)o1 1305788545 XXJURFFEWAJTIF-OAHLLOKOSA-N 425.493 1.520 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1313955723 HXJDWDIJDVVYRF-XXBNENTESA-N 440.571 1.979 30 10 IDEE CN(C)CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1314670071 ATIPMWDQVMBVPU-JOCHJYFZSA-N 447.543 1.981 30 10 IDEE C=CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1320897126 AIOIKXYNCUTXEI-PKOBYXMFSA-N 437.562 1.620 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccn3nnnc3c2)c1 1355959782 LFZBQXIZOGASAZ-OQKWZONESA-N 427.490 1.970 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1358912529 SPHLLGYFQHWWQO-FQEVSTJZSA-N 428.581 1.720 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1358913731 WUZKESJTZYDGDC-FQEVSTJZSA-N 439.516 1.889 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358959586 LWCQJTDCMXGHGQ-HRAATJIYSA-N 446.529 1.462 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961389 XRRFEUXZCXDWLC-IEBWSBKVSA-N 428.562 1.307 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1359014899 AVPNFNIGRQBFRH-IYBDPMFKSA-N 429.529 1.585 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359089940 RZDIWXLTXSFNGL-SFNKJDCFSA-N 430.553 1.455 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(N)=O)CC1 1359294925 JKIBBBOXXCTCJV-UHFFFAOYSA-N 447.337 1.712 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359298896 OVHAOAKVXLZASK-HOCLYGCPSA-N 444.923 1.843 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1csc(CC)n1 1359330788 CXPJRDLXUXTFOB-UHFFFAOYSA-N 435.579 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359334791 QVJRNYJBYZQFSX-IRXDYDNUSA-N 437.566 1.149 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1359335869 XHVYGEKWIWOHPS-GOSISDBHSA-N 447.517 1.195 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCCC(C)(C)C1 1359466617 FEBKRLREPTZFNP-HOTGVXAUSA-N 425.603 1.606 30 10 IDEE COCCNC(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1440856618 YEJYEOJLYCLRNZ-FRIYVGAWSA-N 448.564 1.774 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OCC 1463730337 PJHYTKQPFCQYTL-SECBINFHSA-N 427.264 1.201 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1477072591 BMNNDJCQQOMCGN-GFCCVEGCSA-N 441.893 1.739 30 10 IDEE CCCN1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1501021860 MYBGUVQSQKREHK-ZZEZOPTASA-N 427.509 1.131 30 10 IDEE COC1(C(F)(F)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1504010597 KQLMJYZQSWZVJE-KRWDZBQOSA-N 444.458 1.689 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1504888440 QYDZICLKWNSYDP-DLBZAZTESA-N 425.555 1.506 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@H]1C 1504909755 AKEPKJRXOVFOSC-GOSISDBHSA-N 449.563 1.735 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C1 1505123467 HPGFBSITJWSZTF-SFHVURJKSA-N 442.545 1.499 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1507518617 MAZHWJVGVAEURR-FDDCHVKYSA-N 440.548 1.668 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507653054 MQMOAUYLUMPBFK-IBGZPJMESA-N 436.491 1.326 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CSCCS2)CC1 1507719006 JQHZXVRMTJQYND-YLJYHZDGSA-N 437.635 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCS(C)(=O)=O)CC1 1507734943 DTENMHWVTBBLTP-UHFFFAOYSA-N 429.546 1.346 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCN2CC)CC1 1507884499 IUBJYOZHBFSGGB-ROUUACIJSA-N 438.598 1.252 30 10 IDEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507933952 BXUUMNXAILSWSM-SFHVURJKSA-N 432.569 1.702 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1508088259 ADCGUQLBFYBNOY-GDBMZVCRSA-N 435.525 1.819 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCOC2)C1 1508132301 WUZGZVFHBHUDBO-HXUWFJFHSA-N 446.533 1.143 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)c2ccccc2c1=O 1515945131 UKAYPFWLYSCPHL-WNSKOXEYSA-N 448.531 1.749 30 10 IDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1516014960 DRVLUOGTFHEFSJ-QGZVFWFLSA-N 445.499 1.565 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1519373986 LOBACOPVHYHXGE-WIYYLYMNSA-N 429.546 1.926 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1539219161 BFCSLKFDWHWEDX-KRWDZBQOSA-N 442.607 1.387 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCOC(C)C)CC1 1539446172 SWXRQFLOIJEMKY-UHFFFAOYSA-N 428.537 1.966 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@](C)(CC)C1 1540864986 QYXNJVKSQRGXID-NRFANRHFSA-N 447.561 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1540905094 SHZFHXRMZVFTAL-IEBWSBKVSA-N 431.562 1.870 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1541099300 WPPSYUFWJIMORU-MAUKXSAKSA-N 439.524 1.033 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1541801701 BDUPLMCXQCXJOA-CRAIPNDOSA-N 441.511 1.992 30 10 IDEE COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)N(C)C)c1 1554991098 BNQNVOJYAWTNLD-FGSXEWAUSA-N 441.511 1.983 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c1 1556446466 IMWYHJIWXMEECX-ZDUSSCGKSA-N 426.416 1.982 30 10 IDEE Cc1onc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)c1C#N 1557420400 OPXZWSDKICLDEP-DOMZBBRYSA-N 444.410 1.777 30 10 IDEE O=C1CCCN1C[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1557565725 IXGDQNVFPIDFLI-QGZVFWFLSA-N 446.573 1.756 30 10 IDEE Cn1nnc(NS(=O)(=O)c2ccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)cc2)n1 1558164729 CQBZRMAMUKGIPL-NYYWCZLTSA-N 430.421 1.371 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)CC1 1563027943 GGDLGJYARREFAC-UHFFFAOYSA-N 435.546 1.652 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)Cn2nc(Br)c(Br)n2)CC1 1584573756 FILZRVWPSGLBBW-JTQLQIEISA-N 434.136 1.495 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(I)ccc3F)C[C@H]1CS(=O)(=O)C2 1585660809 WLZHZMFRMAXRIR-LKFCYVNXSA-N 434.230 1.441 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1587445301 ZZTQPCQPOHPIRG-UHFFFAOYSA-N 439.490 1.004 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1587905250 ZDMWVRAADLIUEP-UHFFFAOYSA-N 431.518 1.066 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1588011814 KXYAGXAYUIUHQF-QFIPXVFZSA-N 433.560 1.824 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588024600 HMSHXUHZZIYGMK-SJORKVTESA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588059135 JIOGQLCUXPEFFQ-KRWDZBQOSA-N 438.594 1.425 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2nccn2C1 1588098990 FQMZPBFMANYFLA-GOSISDBHSA-N 448.552 1.881 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1588099501 OPSJNRRZELNDDK-UHFFFAOYSA-N 427.530 1.183 30 10 IDEE Cc1cc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CCOCC2)on1 1588158001 MVRTUFGPWVIBLG-UHFFFAOYSA-N 444.513 1.436 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1588174062 PAEICGZLQHFLIU-UHFFFAOYSA-N 440.935 1.803 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nccs2)CC1 1588762373 HKRUQTNUCBZPCP-UHFFFAOYSA-N 442.570 1.609 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1588836620 MPEFYYICFRJSAO-KSFYIVLOSA-N 431.487 1.442 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1588836645 NFJDFSMWAWWNQC-JOCHJYFZSA-N 426.952 1.756 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccn(C)n2)CC1 1588908444 QUYZNOCXBSIOMM-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1594454926 JNFLHKSJTIEEEL-HZPDHXFCSA-N 438.598 1.692 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1595555656 GMTHBQKMNLBQGN-AOMKIAJQSA-N 429.496 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595823266 MRCNFYJFPOXWFY-SFHVURJKSA-N 445.589 1.721 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ncccc1C 1616922580 FCKCRRDRMVYTCS-QGZVFWFLSA-N 433.520 1.943 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1617047074 IPSRDBRPHSLESI-OALUTQOASA-N 437.585 1.486 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1628366968 QZFURTJVCIRNEH-GOSISDBHSA-N 449.916 1.807 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C(=O)Nc4c(F)cccc43)CC2)cc1 1629484927 FWGJGJRYYHPHDH-QGZVFWFLSA-N 442.472 1.656 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 1636270481 HLLXUIWIXHAHEX-CVEARBPZSA-N 431.541 1.230 30 10 IDEE COC(=O)[C@@]1(O)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1636664217 DEQGKIFONRGMID-HTAPYJJXSA-N 429.473 1.529 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)C1=O 1637833234 XMPHRXIZDJNSJF-UHFFFAOYSA-N 442.472 1.895 30 10 IDEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1639667218 DFENSSRTNUQHEF-GFCCVEGCSA-N 434.905 1.808 30 10 IDEE Cn1ccnc1[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(C)(C)CO 1643598514 DFWHKELQNNVRDW-PZJWPPBQSA-N 442.539 1.617 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4c(sc(N)c4C#N)C3)C2=O)cc1 1648291748 UIFNHPPBVOTYHT-NRFANRHFSA-N 439.497 1.562 30 10 IDEE Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1652521913 ZLOOYCJSBBTHDB-FVJLSDCUSA-N 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DXXWIJXEFPDVOO-OAHLLOKOSA-N 443.577 1.918 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)n1C 2337322947 CBJZQFCJIOOGKW-ZIAGYGMSSA-N 446.357 1.623 30 10 IDEE COc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444402 XBQDAWOHAFQSHO-CVEARBPZSA-N 437.456 1.346 30 10 IDEE N#CCCN1CCN(C(=S)NC(=O)c2ccccc2I)CC1 100435566 RGWBNLCHRGVJPF-UHFFFAOYSA-N 428.299 1.837 30 10 IDEE CC[C@@]1(C)NC(=O)N(N=Cc2ccc(OCC(=O)N3C[C@H](C)O[C@H](C)C3)c(OC)c2)C1=O 254594469 VBNUXALUIVGHBM-ZCCHDVMBSA-N 446.504 1.764 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)c(C#N)cn1CCOC 432424943 RUXPUFLHUUKTEP-NRFANRHFSA-N 434.493 1.985 30 10 IDEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 461425691 IFMVVNUGJLWFHM-OAHLLOKOSA-N 425.327 1.264 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 469936870 XREBCWCOMUZDBS-UHFFFAOYSA-N 436.515 1.484 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1 479183766 AKNIRCVKGZZSSM-QFIPXVFZSA-N 434.544 1.728 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCO1 479388300 BLLLNNKDEFQKAB-GOEBONIOSA-N 427.526 1.611 30 10 IDEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@H]2CCCO2)c1 497577875 AIDZJWNXDVHHAJ-LJQANCHMSA-N 448.548 1.825 30 10 IDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2ncccc2C#N)CC1 502089768 LOJLRKQSNUOXBI-UHFFFAOYSA-N 427.530 1.251 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N2CCC(C)CC2)nc1C 526839130 BJEFRNSMLSIYKL-NDEPHWFRSA-N 427.548 1.740 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(C)(C)CN(C)C)c1=O 533579224 BITIKYWTWBGCJL-UHFFFAOYSA-N 441.601 1.586 30 10 IDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 534147736 ZOJWHRBDZMPMMV-UHFFFAOYSA-N 441.513 1.821 30 10 IDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 536382948 NUVWMQOSEZUMQD-UHFFFAOYSA-N 436.534 1.280 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCSC)c2=O)c1 540696113 KIOWVDQPSFGZQB-UHFFFAOYSA-N 446.598 1.403 30 10 IDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCc1ccc(C#N)c(OC)c1 558484019 PSMXSIIHKFISAS-UHFFFAOYSA-N 439.515 1.816 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@]1(C#N)CCSC1 588945069 NWFOQPFPJIKLCM-LJQANCHMSA-N 438.575 1.150 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1C[C@H]1CCCO1 589759650 WVTMNRJWGIOGDU-CQSZACIVSA-N 425.535 1.553 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 603798806 OBOJJRHDVKRQFD-INIZCTEOSA-N 427.526 1.125 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)nc1 608967564 BFEQAHJDQLHHBK-UWVAXJGDSA-N 428.562 1.764 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC1 611672777 JWBJGKHYBPYQOC-RTWAWAEBSA-N 447.605 1.585 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 619481708 YSSJFSAYTGNJMU-UHFFFAOYSA-N 434.543 1.172 30 10 IDEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669814532 FNHXOHSZJZNPEK-SFHVURJKSA-N 432.488 1.790 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730141695 KPDCRJGQZSKUOK-QGZVFWFLSA-N 437.541 1.351 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Br)cc1F 732670028 SLWOHGWUZZJDEO-LLVKDONJSA-N 446.298 1.736 30 10 IDEE C=C(COC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br)C(=O)OCC 734027095 SEQAAYURFCAYGP-UHFFFAOYSA-N 442.234 1.668 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OCc1ccnc(C#N)c1 747008509 VADOGMZKBHFBHU-KRWDZBQOSA-N 431.470 1.238 30 10 IDEE Cn1cc(I)c(=O)n(Cc2cc(Cl)ccc2OCC#N)c1=O 769615901 RGYWKPXVLBGLST-UHFFFAOYSA-N 431.617 1.756 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774264387 VXAYCOZJONRCNW-TZMCWYRMSA-N 427.885 1.416 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790361667 ZYUZJBZUJZJDOY-UHFFFAOYSA-N 428.517 1.991 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)C2=O)n1 799140011 MTSZSKCUSLNEAU-MNOXEHBPSA-N 425.533 1.669 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCc2cccnc2OC)C1=O 809944511 YBIVWSGDNRGTMN-SZTNPAGBSA-N 427.530 1.707 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(C#N)c(OC)c2)cc1 812155252 AHKVOMTXVPAXHR-UHFFFAOYSA-N 445.497 1.654 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 812178667 CXBBIRDQAZZJPS-HOTGVXAUSA-N 448.524 1.803 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 812310688 MMLVAJOBOXGUOS-ZWKOTPCHSA-N 429.521 1.838 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915450280 LXKZAEVCZBYKEQ-HWPZZCPQSA-N 446.323 1.696 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)C1 916893483 AFJFAUULYCQXNC-DOTOQJQBSA-N 436.534 1.850 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc1 919848325 RAVQTKVYTCMXJO-GOSISDBHSA-N 440.525 1.792 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCCCCCS(N)(=O)=O)cc1 1141821316 PWIRBQOSMYLPHC-HEHNFIMWSA-N 444.579 1.677 30 10 IDEE C[C@@H](CC(=O)NC1(c2ncccn2)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1156494793 QTEVESGKPWMRSM-AWEZNQCLSA-N 429.502 1.116 30 10 IDEE C#CCN(C(=O)NCc1cc(OC)c(O)cc1Br)[C@@H]1CCS(=O)(=O)C1 1252684757 WYPOIEQBBWVISQ-GFCCVEGCSA-N 431.308 1.495 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286380289 GPHANACJXCMVPG-SFHVURJKSA-N 429.546 1.400 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1286494424 OMLCXBAQTSOZFU-UHFFFAOYSA-N 441.624 1.222 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286601866 PMWGUXLFLUSLOQ-INIZCTEOSA-N 446.556 1.584 30 10 IDEE C=C(Cl)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635053 INAAQDOLJSLLSC-GOSISDBHSA-N 447.989 1.543 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286818172 CRYJNAPABAPHNV-KRWDZBQOSA-N 448.593 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286821657 RKYZPHGWHBJQEQ-SFHVURJKSA-N 425.599 1.236 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1288304226 CFYHHIOGGSOTPZ-LEWJYISDSA-N 446.483 1.784 30 10 IDEE CCOCc1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1297116963 HAKPAYQERJMQGP-VHJGWARJSA-N 429.525 1.014 30 10 IDEE CCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1297582101 JUHVDOLERAOOJL-UHFFFAOYSA-N 435.536 1.541 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1297981656 DLOVWJQZRQMKRA-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C 1299186122 HKMBSPGCLMARNL-KRWDZBQOSA-N 425.537 1.500 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300371334 CBTNLMLYCFGUQZ-HNNXBMFYSA-N 435.575 1.696 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)c1ccccc1 1300544692 BWTGIINNKARLPI-UHFFFAOYSA-N 436.541 1.686 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1300997748 YLZRZMYGRONPFZ-QFIPXVFZSA-N 443.552 1.479 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301112154 LWKSYRRQRZHTOZ-OAQYLSRUSA-N 427.530 1.769 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1C 1301425543 WKNODGIEKBFDBE-KSZLIROESA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301507148 YIBIBNMGBFHNHN-KRWDZBQOSA-N 426.521 1.340 30 10 IDEE CS(=O)(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)CC1 1302425331 GNZNXXOJBSHWOD-UHFFFAOYSA-N 429.506 1.243 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@@H]1C 1313941378 CBFQEMYKNPPSKF-KRWDZBQOSA-N 435.536 1.919 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)F)CC1 1316533326 LZXJPHMUBIOKNJ-UHFFFAOYSA-N 430.463 1.205 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1316538679 AEAZKLUTDLTLFO-CHWSQXEVSA-N 438.414 1.779 30 10 IDEE O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCCN/C(O)=C1/N=CC=CC1=O 1318433091 CWLSTPAGXCRBMS-ZCXUNETKSA-N 445.526 1.571 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 1318824509 GCEVWYMTSYRPSE-UHFFFAOYSA-N 425.470 1.680 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(C2CC2)C1 1358941841 ZPUZAPJDQSIKJQ-QGZVFWFLSA-N 442.589 1.749 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358962648 UGHHEVAVMFZBSC-BXWFABGCSA-N 440.591 1.014 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1358994919 ZEFWWJINBJPBAR-NRFANRHFSA-N 439.585 1.775 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCCCC)CC1 1359035334 QXZGNRVOSQRKET-LJQANCHMSA-N 437.548 1.607 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1359056657 JDZKIGWCVUNMRV-KRWDZBQOSA-N 425.624 1.325 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359089292 GENOXUCGNZVTLR-RQXXJAGISA-N 433.553 1.782 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCOCC2)CC1 1359182445 GXRGCLLQVMEIKQ-ROUUACIJSA-N 433.553 1.687 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCOCC1 1359275787 GALBDFWKCRJLSS-UHFFFAOYSA-N 442.520 1.201 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)NC)CC1 1359303937 GCABKVHUVLENQP-UHFFFAOYSA-N 441.536 1.238 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)C)CC1 1359329339 GEFTWBKRTXLVQC-UHFFFAOYSA-N 428.562 1.948 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1359329732 SDQTTXGHOUPSEY-KRWDZBQOSA-N 438.513 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359334644 MVXYDKHGQMMEIB-LJQANCHMSA-N 432.594 1.788 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1449476466 AOGGKRVZSGOARQ-CVEARBPZSA-N 442.459 1.966 30 10 IDEE O=C1CC(c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)CC(=O)N1 1450028020 FTMCEPAITZIREY-UHFFFAOYSA-N 440.481 1.274 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1O)C(=O)OC 1468876142 WDKQMMCDOWNTGW-GOSISDBHSA-N 426.425 1.956 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507592692 DGJSYAATOIOYPB-UHFFFAOYSA-N 433.582 1.413 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507595444 QELZBSFNGVQSIE-BGYRXZFFSA-N 430.597 1.855 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1507628990 QWPMFPFPMAAXPJ-QGZVFWFLSA-N 445.545 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(C(N)=O)CCOCC2)CC1 1507739476 QHYKPOWMPPRCSC-UHFFFAOYSA-N 444.580 1.115 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507784130 IHQAAHBNQCHOJQ-CJNGLKHVSA-N 431.356 1.706 30 10 IDEE C=C(Cl)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1507874746 LBBHLYLIYJTCNX-FQEVSTJZSA-N 434.928 1.728 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1508036019 JHIADAJDRAJXIX-INIZCTEOSA-N 448.549 1.389 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1508092761 QYHRCCOHUDDLLT-HUUCEWRRSA-N 441.458 1.598 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508132034 PZUSTWMGYYCKGZ-ROUUACIJSA-N 434.566 1.356 30 10 IDEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1510320367 NUCLCWFEYKTBLO-OAQYLSRUSA-N 445.545 1.657 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1517481313 DRKNYFONYISPPO-HSZRJFAPSA-N 437.548 1.787 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1517681176 ISDFGEFMJMTYMQ-KRWDZBQOSA-N 426.477 1.254 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4C(N)=O)CC3)CC2=O)cc1 1533836612 DGXAWOBBWONVMM-MRXNPFEDSA-N 435.459 1.498 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1538970153 AHJYWIKFPGHGGE-DLBZAZTESA-N 441.561 1.775 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539075577 ANNRCZAWGJPXSY-UHFFFAOYSA-N 437.548 1.642 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1539101900 MBQALTWAZBCPOJ-SJORKVTESA-N 430.486 1.876 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1539172223 VRTPGEMGKDIPLC-UHFFFAOYSA-N 446.515 1.636 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1539307440 SJFCNBFKVMLMEF-UHFFFAOYSA-N 427.516 1.646 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1539370845 HFDQMQAHGLHGLM-OPAMFIHVSA-N 446.552 1.524 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NC 1539416231 LXZLVYHYGJKFII-GOSISDBHSA-N 427.505 1.649 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539444921 YDBMKGBMAXGAHS-UHFFFAOYSA-N 428.562 1.453 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539626823 GPLHTDXFBZDFQH-AIANPOQGSA-N 425.555 1.080 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1 1539650599 SPNITDRNEWXDAU-QGZVFWFLSA-N 442.630 1.526 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OC)C1 1540870102 DZRAEVGDECDNRX-IRXDYDNUSA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1540870453 NSASNHUHPZTQLE-KRWDZBQOSA-N 427.505 1.882 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540874579 LUFVMXKSQZZDEY-KRWDZBQOSA-N 447.561 1.399 30 10 IDEE CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546540948 DVVXFFOQSHRGBN-FMQUCBEESA-N 429.569 1.925 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CCN2C1=O 1547604538 GKZJTJSLJWKURJ-QAPCUYQASA-N 436.520 1.240 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)CC1 1547764183 FXKDCFCEJRPBGG-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1555581079 CDECLAIHGBGWCD-UHFFFAOYSA-N 434.548 1.951 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555806685 JTFAHQPVPDZCTQ-OALUTQOASA-N 445.545 1.666 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)c1OC 1585387240 GNIIBLXUOMJBOJ-SUMWQHHRSA-N 433.486 1.358 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)[C@H](C)CCC 1587599194 KZXGCUAVLNKJGB-SJORKVTESA-N 435.536 1.931 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1588055227 UDJHKOYYLNUGKX-UXHICEINSA-N 444.557 1.603 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1588138418 CIKLFLZQTNQAAR-NFBKMPQASA-N 448.571 1.889 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1 1588638199 PJUAHIQDASEDCE-NSHDSACASA-N 428.440 1.839 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2cc(C)nn2C)n1 1588723355 LOVDEUSBLKUCGM-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1588806603 WJRQVASFTYJHQJ-QGZVFWFLSA-N 440.552 1.651 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1588975649 ILDSORWXELHCMV-MRXNPFEDSA-N 441.623 1.576 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589047750 HZYVTOKPMONRFL-UHFFFAOYSA-N 434.591 1.567 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)C1 1589567172 AZJKEQVXFHJDDN-IIBYNOLFSA-N 427.505 1.783 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1593735564 LBRCFVFMFDXYAU-UHFFFAOYSA-N 437.504 1.855 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)C1 1595664605 HSILHXKGZLKRAC-LAUBAEHRSA-N 434.610 1.733 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H]2C(=C)C)C1 1595722373 JNICZKJZJNVINK-WJFTUGDTSA-N 436.578 1.943 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595812110 NJEGGEAWKRNGSN-CVEARBPZSA-N 435.575 1.246 30 10 IDEE C=CCSCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1595905705 ONROAZVXFIXXES-RXVVDRJESA-N 437.610 1.759 30 10 IDEE CC(C)Cc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603474570 ZZQWVWBDACGXAQ-PAMSCFNVSA-N 428.537 1.866 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCc2nccc(C(F)(F)F)n2)c1 1603634562 INXWJHJYIHJJDK-UHFFFAOYSA-N 426.420 1.722 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCCc2ccccc2)n1 1612502215 FFQNVXZNHJKVDM-FQEVSTJZSA-N 448.531 1.227 30 10 IDEE CCc1nnc(N2CCSC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1614052661 GGQVDJJKWHPQCS-ZCXUNETKSA-N 432.550 1.469 30 10 IDEE CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1=O 1618172061 YPFVPUCHVNHBJC-DVSDUFGPSA-N 429.542 1.950 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1618232786 ZNOLAHBCZNVMTB-UHFFFAOYSA-N 432.278 1.557 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(C2(C)OCCO2)cc1 1631764631 NTOBURIFPYFNJI-HNNXBMFYSA-N 429.498 1.761 30 10 IDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1633044413 FOAPVJYGCWJUSG-LJQANCHMSA-N 449.596 1.976 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1635737693 WOQKXAMDADCNKU-UHFFFAOYSA-N 433.262 1.020 30 10 IDEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C)NC2=O)c1 1637275859 URYIBYHXSAMITJ-QGZVFWFLSA-N 448.932 1.796 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)c1ncon1 1639399248 XXQBGWXLYXCTIE-KDOFPFPSSA-N 425.470 1.708 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)NCc1nn(C)cc1I 1640903549 VCVYBJFBCQUTQZ-UHFFFAOYSA-N 426.214 1.600 30 10 IDEE Cn1cccc1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1641123221 FWLBPQQKGSLHQY-MRXNPFEDSA-N 439.903 1.888 30 10 IDEE C#CC1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)CC1 1651091878 WSJPGQDZRORZTJ-UHFFFAOYSA-N 425.470 1.955 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(C)CCc1cccc(C#N)c1)CCS2(=O)=O 1676631791 DVYBXQIKAUXTDL-WBTXTPOCSA-N 433.530 1.641 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1689852098 ADGFYGVZAGAHGB-YJBOKZPZSA-N 431.518 1.284 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689991281 ZDVFDGAXEYFTOC-UXHICEINSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn[nH]c1 1690006507 RBXPTTQOEVBWIZ-UHFFFAOYSA-N 437.529 1.234 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1690072265 AEKQIIVEYRBOMH-UHFFFAOYSA-N 428.518 1.086 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12 1690093468 ABTDFRVPCWSRED-OAHLLOKOSA-N 431.518 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCC2)CC1 1690150499 KJKOEFBSGFTTDE-UHFFFAOYSA-N 444.605 1.652 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690299308 MYPAYUMUQSFBQN-BZSNNMDCSA-N 439.582 1.583 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CC2)CC1 1690411530 OLTABAZODSGCAF-INIZCTEOSA-N 441.623 1.909 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F 1690526679 BSZDAMFGEWJKTC-LBPRGKRZSA-N 427.449 1.160 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690667188 TWRWRMVFWXJPIF-INIZCTEOSA-N 438.532 1.751 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2CCOCC2)C1 1690714317 KDOWOAGQJPJWDV-UFYCRDLUSA-N 449.596 1.894 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 1690722467 KLPYKMAJDPCCCX-UHFFFAOYSA-N 432.550 1.246 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1692661432 DKSBYEUJZUHJRF-MRXNPFEDSA-N 437.552 1.717 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1692889041 MFMIEDQYZOXVHK-OAQYLSRUSA-N 443.483 1.678 30 10 IDEE COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1697092291 GUEZJENZJNSEPK-KXBFYZLASA-N 440.570 1.166 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(C)c2)c1 1705504945 GLFPPHWOZQJNKY-SFHVURJKSA-N 432.488 1.067 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1705548448 HLNXDJBVFJIVLB-KRWDZBQOSA-N 439.335 1.327 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705652867 QDMHBBJMAWTKTF-GOSISDBHSA-N 432.594 1.039 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705739921 WGTKRIBRUFHWAA-NQIIRXRSSA-N 443.596 1.889 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705828100 BPCLWLNWWDKWCI-NRFANRHFSA-N 442.612 1.876 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2OC)CC1 1705902996 OBVXLRDCNTZGJJ-GOSISDBHSA-N 440.548 1.810 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC[C@@H]1C 1712071195 IYQVHNCJPBEOFP-YJBOKZPZSA-N 432.550 1.617 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359867 WQYFUKVIUMRNPB-GOSISDBHSA-N 435.594 1.819 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722363020 YLRXICDYFDLJBY-IAGOWNOFSA-N 434.566 1.366 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722366618 JFCKMWDAUVUDGX-OALUTQOASA-N 444.557 1.660 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1722391794 USUBQEFNJIVXDD-ZJSXRUAMSA-N 442.608 1.419 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1722462812 SJFNDBAFFBRLSN-SFHVURJKSA-N 427.578 1.707 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1722504643 HHYBAQPJBKZBJY-POAQFYNOSA-N 430.553 1.658 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)C2CCC2)CC1 1722574370 LJJCILYOZFBLLU-OAHLLOKOSA-N 438.598 1.597 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1722630055 UIISKLYREAKAHA-MSOLQXFVSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(C)cc1 1722692247 XWJALHGJWWIZFC-SJLPKXTDSA-N 446.577 1.840 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1Cc1ccc(C#N)o1 1723962401 YBQCDUQIIWLNAP-GUYCJALGSA-N 446.489 1.572 30 10 IDEE CC1(C)CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1724020630 DDFXRKSGXCFENH-JVPBZIDWSA-N 425.530 1.563 30 10 IDEE COC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1730467965 DTFRCXIBUSVYRQ-QGZVFWFLSA-N 428.541 1.447 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740566571 HZXPYXAXZOHHCJ-RTBURBONSA-N 437.548 1.886 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCCS(C)(=O)=O 1740651069 XXUDUVYTKGZXRQ-UHFFFAOYSA-N 430.530 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1740657444 SFNJTAOVZTWQHR-OAHLLOKOSA-N 428.543 1.401 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1740765051 NQEHKWBGFAHDBM-UHFFFAOYSA-N 446.577 1.895 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1740773739 CKWQKORCNFIUPL-MSOLQXFVSA-N 440.614 1.498 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1740969257 LPUUXQZAHCCLPI-SFHVURJKSA-N 447.561 1.477 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1740987618 KKQNRRZFNZCXJW-SFHVURJKSA-N 442.545 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(C)(C)C)C1 1740990884 IWCKHIFZSZUHIN-CABCVRRESA-N 425.555 1.081 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1741994664 RWEGNLSYBSLRBW-CXAGYDPISA-N 430.459 1.791 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCOCC(F)F 1743241465 ZYCMTVCSTBJWJE-LSDHHAIUSA-N 448.478 1.440 30 10 IDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1747648348 VURNTQYDVAFTTB-DVSFIDLUSA-N 439.545 1.732 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N2CCOCC2)CCSC1 1748689546 CUWXONYPOOQTIJ-GHDARCQNSA-N 449.621 1.668 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](COC)OC 1748912501 FIMRIEWZGKGOQC-INIZCTEOSA-N 434.566 1.668 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OCCCO3)CC1 1748971010 ACFHRUAYAYCZIU-UHFFFAOYSA-N 438.532 1.381 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc32)CC1 1748971078 CAYBONKLOFFPIX-UHFFFAOYSA-N 435.576 1.624 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2CCS(=O)(=O)CC2)CC1 1748984562 VCKOJRKTQZKOGK-UHFFFAOYSA-N 431.537 1.664 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1749000393 VBQIIEITGYSHAV-UHFFFAOYSA-N 440.548 1.571 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749668580 AKKOJLAIFSLBEQ-FQEVSTJZSA-N 435.532 1.278 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749771867 AIVBGFFQTFNLPE-FDDCHVKYSA-N 440.548 1.779 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1749955159 SEECSYLHXFRZAW-ROUUACIJSA-N 444.536 1.674 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CC(=O)NCC(F)(F)F)c1 1750381078 HSOJLSMTCUXXHU-LJQANCHMSA-N 447.421 1.212 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1750385911 DEOCERVXIAVIFA-UKRRQHHQSA-N 436.925 1.547 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1750925056 WQDLUJIHHXPRPS-MAUKXSAKSA-N 427.509 1.086 30 10 IDEE Cc1ccccc1-c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1751664911 VCJWYJBXIQMYMS-HZSHHLKBSA-N 449.515 1.447 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1760098502 SXSUCZRHOWILLE-KGLIPLIRSA-N 435.506 1.154 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760182339 IQEOBZVHDAUAFR-OAHLLOKOSA-N 436.607 1.995 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1760260411 RBVDSIXXUCTTFY-UHFFFAOYSA-N 445.531 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(=O)NC2CCCCC2)CC1 1760273364 QHUBXYUGMKUMFE-UHFFFAOYSA-N 430.553 1.229 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1760525739 PHHKDUJXZHSRGP-HKBQPEDESA-N 438.557 1.940 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CCOCC2)C1 1760535535 SLYKDUUTMKRJBC-DOTOQJQBSA-N 427.571 1.486 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1760695318 FRKNAHZTLAOSBW-GJZGRUSLSA-N 435.529 1.271 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1761448336 ZDEFLSFNHJINBG-QFBILLFUSA-N 447.561 1.882 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)C1 1761542137 CGVSWDBDGSTNHT-JTSKRJEESA-N 439.495 1.928 30 10 IDEE Cc1nnc(N2CCN(CC3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762619792 FUZPVPBSJZHGRM-QZQOTICOSA-N 427.553 1.815 30 10 IDEE CCSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768407886 REVFEVHFERSDHT-MRXNPFEDSA-N 427.534 1.907 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1770767324 BXBVNNRQCGIAOW-IBGZPJMESA-N 448.531 1.903 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1771368162 FQQVGWHFOJIFRQ-SFHVURJKSA-N 429.550 1.040 30 10 IDEE CN(C)C(=O)CCc1cccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1 1851772333 NOVTUMRBZAEQON-UHFFFAOYSA-N 435.528 1.953 30 10 IDEE N#Cc1ncc(C(=O)O[C@@H](COc2ccccc2)CN2CCN(c3ncccn3)CC2)cn1 1852465874 SYGBFKXXYHTAAQ-HXUWFJFHSA-N 445.483 1.565 30 10 IDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 1854038293 RAWUDWBKUVLOEX-MRXNPFEDSA-N 427.482 1.694 30 10 IDEE CS(=O)(=O)[C@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1856476280 LCSYCAGLDPCKQE-HOTGVXAUSA-N 437.949 1.904 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)COc3ccccc3Cl)C2)CC1 1857067558 ZFJVENXDUVWONE-HNNXBMFYSA-N 439.921 1.659 30 10 IDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)COc3ccc(Cl)cc3)C2=O)C1 1857109532 MGKDHGXNKUUBQU-GOSISDBHSA-N 426.860 1.876 30 10 IDEE CCOc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858337344 ZQOQFHYDTJRGDR-MRXNPFEDSA-N 435.527 1.698 30 10 IDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)NCCCN2CCOCC2)cc1 1860732814 RXNATRGJPJIOSD-DHZHZOJOSA-N 431.533 1.355 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2C 1864318206 RUZRHWJXOFKOLH-GOSISDBHSA-N 425.489 1.240 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1OC 1868136948 PPFRMKKIFBNUCM-UHFFFAOYSA-N 431.470 1.494 30 10 IDEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1870107320 DLKXDRKFQGTPGL-UHFFFAOYSA-N 425.408 1.695 30 10 IDEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCO 1870349548 ROOADOJSWJVHSH-UHFFFAOYSA-N 429.517 1.776 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCOC 1870549426 CTAPKFYXJQNUBP-HXUWFJFHSA-N 433.549 1.685 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)CC1 1889619373 MOTGUIPOCFXEFM-UHFFFAOYSA-N 433.618 1.947 30 10 IDEE C#C[C@]1(O)CCCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 2009794302 PYSKKDQLEQKODQ-MBSDFSHPSA-N 430.501 2.000 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2009980433 WFTQSFLBMDGQRW-CABCVRRESA-N 439.509 1.826 30 10 IDEE CCOC(=O)c1c(S(C)(=O)=O)nn(-c2ccnc(C#N)c2)c1I 2080365579 QFAXZPMZXGQDMF-UHFFFAOYSA-N 446.226 1.324 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124543000 LYPLAHSQUQCJPD-HNNXBMFYSA-N 448.329 1.740 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2213501380 XKFPNSVIPXSUFH-XUWVNRHRSA-N 443.541 1.303 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243675292 UNCDFRLVISHVIQ-ZYHUDNBSSA-N 427.332 1.655 30 10 IDEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247807234 VOAVYOJRFBHFIS-SSEXGKCCSA-N 441.359 1.713 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248440964 DCKBEGBNEKWBCH-CYBMUJFWSA-N 441.359 1.334 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619678 RIVLTNOGZNFOCU-QWRGUYRKSA-N 430.236 1.381 30 10 IDEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255811158 IBMFFNYBBOSNRV-NSHDSACASA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255831306 SWVRYDHLPSZAKI-UHFFFAOYSA-N 432.330 1.792 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)n1 2267108722 INLWSTTVWNSEOA-BFHYXJOUSA-N 447.345 1.100 30 10 IDEE C[C@@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1NC(=O)C(F)(F)F 2267182792 BBEQQYRVZJXJFQ-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2267548627 UBCVGWITIRPJSO-CHWSQXEVSA-N 449.361 1.536 30 10 IDEE C=CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2267595434 FFLWRQMRPYIZNC-UHFFFAOYSA-N 447.345 1.410 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@H]2CCCC23OCCO3)OC1(C)C 2282500989 QRPKBDXESFBQER-INIZCTEOSA-N 427.303 1.699 30 10 IDEE CC#CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)C(=O)OC(C)(C)C 2300545248 XIBXNMVKTIESEU-IAGOWNOFSA-N 439.553 1.981 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2303308164 MKQBLRCHXGANOX-ZCNNSNEGSA-N 427.549 1.820 30 10 IDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1NC(=O)C(F)(F)F 2337194302 KPOHRZDREVTWNM-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337289657 LKXKCPBGPZJPCF-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2356120319 IXVUVNABDDAFLX-RBSFLKMASA-N 440.294 1.990 30 10 IDEE CC(=O)NCCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cccc(C#N)c1 31464631 YKDKXCWIJUUWRU-UHFFFAOYSA-N 432.484 1.835 30 10 IDEE NC(=S)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccc2c(c1)OCO2 110394969 DVRNLHRMJVKRNN-LRSOKBAUSA-N 442.413 1.243 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CCC1 430986385 CZWBJXOLEVVHKI-UHFFFAOYSA-N 431.521 1.602 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 433820188 LXGZYVUNWYNDHV-GOSISDBHSA-N 434.452 1.644 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 438617632 HKFDYFYJRQZZRH-CNONZDJGSA-N 438.484 1.312 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447271102 LJFHWRLUXCLSGM-UHFFFAOYSA-N 440.475 1.956 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478749621 WGPATEICTJDNLR-KRWDZBQOSA-N 443.573 1.286 30 10 IDEE Cc1ccn(-c2ccccc2CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)n1 491534406 VFHALSGDYKXHPM-UHFFFAOYSA-N 440.467 1.947 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506629460 YRYSAHYGDNTEIH-HXUWFJFHSA-N 435.532 1.352 30 10 IDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508495921 WZKXMJKYWFWCKZ-UHFFFAOYSA-N 428.537 1.652 30 10 IDEE Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(c2cccc(C#N)n2)CC1 546915882 ACHGUPSIBPFTLG-UHFFFAOYSA-N 426.908 1.792 30 10 IDEE CCOC(=O)COc1ccc(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546929253 NZHAQPUKFBGWCJ-UHFFFAOYSA-N 437.500 1.969 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)n1 549497804 TVZCNCCHHXEOAD-ROUUACIJSA-N 425.493 1.138 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nc(N)c3c(C)c(C(=O)OCC)sc3n2)CC1 552466337 DDXBEVNYKBIVJY-UHFFFAOYSA-N 432.550 1.178 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3cc(F)c(C#N)c(F)c3)CC2)cc1 559264520 UQYJDFWBGWCYFL-UHFFFAOYSA-N 448.495 1.768 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)OCCOCCC)cc21 586357405 JYOLPBHJTHIMPD-FOGNVHKLSA-N 437.514 1.888 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@H]1CCCO1 590914087 VZHRORBSSXXZOF-FUHWJXTLSA-N 441.553 1.051 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 609311271 AWILCTLTUOMJHP-UHFFFAOYSA-N 444.513 1.654 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3n(c2C#N)CCS3)cc1 609815008 MVOXEPVTROWNIM-UHFFFAOYSA-N 435.531 1.908 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670197719 UZDJFHGTBJXKET-HKUYNNGSSA-N 431.585 1.371 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729669638 ANJQOWUSZXHFBK-UHFFFAOYSA-N 447.545 1.449 30 10 IDEE COCc1nc(OC)c2c(C)c(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)sc2n1 731862431 FTLKIZMORWNOBO-PEZBUJJGSA-N 431.474 1.411 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1Cc1ccccc1 732560874 AQPXNNYQHGULOR-UHFFFAOYSA-N 435.553 1.594 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CCN1C1CC1 732707058 UBNMFZITCLFZGP-FQEVSTJZSA-N 449.486 1.893 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1n[nH]c2ccc(I)cc12 745476435 XTXWTRLSXLZMTH-QMMMGPOBSA-N 442.213 1.725 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 750432524 FPXOHUVQFYEEJM-OAQYLSRUSA-N 449.463 1.155 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc(-c3ccccn3)s2)CC1 753166655 NCUCKUPRXKCZOF-UHFFFAOYSA-N 443.558 1.982 30 10 IDEE C[C@@]12CCC(=O)N1[C@H](C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)CS2 754772363 DEHGLOOEQDKUEM-SWLSCSKDSA-N 444.332 1.580 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 756164991 JBMULVMGCDBLJR-HBWVRPOVSA-N 449.577 1.828 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 756920438 OEKXIIUFJHOVAZ-ROUUACIJSA-N 444.532 1.937 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@@H]2CCCS2)C1=O 757369176 CYCWMBAWDJKMNX-JLELSEFFSA-N 449.646 1.888 30 10 IDEE COCCc1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 768344457 RXBGJFVFEPEXBW-UHFFFAOYSA-N 433.534 1.847 30 10 IDEE CCOc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 780856556 OBJXKRYQUUFUSP-HXUWFJFHSA-N 445.497 1.650 30 10 IDEE C=CCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[C@@H](Cc1ccccc1)C(=O)OCC 781157402 CUOUPAKKXGCIGI-HYSAVQALSA-N 425.485 1.286 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cnn(CC3CC3)c2)cc1 781733996 ZUDDCOCHMZUMFG-UHFFFAOYSA-N 436.515 1.489 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 787543737 GRXLKHJCNMXKSD-HOCLYGCPSA-N 439.472 1.352 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C#N)c(Br)c2)n1 788695310 IRGJNKFNBCDMDM-UHFFFAOYSA-N 437.319 1.988 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)n1 789323222 JHOUTKLIQLZPNR-UHFFFAOYSA-N 443.592 1.606 30 10 IDEE C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790837706 GYIDXMDVCJRSPQ-UHFFFAOYSA-N 442.481 1.755 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2C)c1=O 794583246 YZAULTGMGFMHPH-UHFFFAOYSA-N 448.548 1.923 30 10 IDEE C#CCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@@H]1CCS(=O)(=O)C1 795470129 RJDAPCWETXLHNO-CQSZACIVSA-N 428.304 1.679 30 10 IDEE CNS(=O)(=O)c1cccc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1 798130211 KWPMOORYVNRDAU-UHFFFAOYSA-N 439.291 1.391 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 914679397 AKNVQTBFUWIZRE-CYBMUJFWSA-N 429.454 1.105 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cn(CC(F)(F)c3ccccc3)nn2)C1=O 1129126121 VANKFDRNQJNLLF-UHFFFAOYSA-N 433.371 1.090 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2COc3ccc(O)cc3O2)c1 1136281360 BVFMNZFARBCDPC-QTTZHIOCSA-N 431.470 1.984 30 10 IDEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1159158263 DYNVGOFLOMERBX-DLBZAZTESA-N 433.465 1.221 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1174793057 RETCKJQDZSICKH-UHFFFAOYSA-N 437.481 1.923 30 10 IDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C[C@@H](O)CC1(C#N)CCOCC1 1194132130 FKOJQGFWBMITCP-DLBZAZTESA-N 425.526 1.542 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1256624999 BCQOQZWFDVULDC-UHFFFAOYSA-N 426.521 1.121 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2cncn2)nc1 1286302527 NKIJYFLINAQVBL-HNNXBMFYSA-N 447.528 1.752 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C(C)C)c1 1286308523 AOTWXXBMNHREHU-IBGZPJMESA-N 437.548 1.626 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286397803 CUFJDNRYDLRFGD-QFIPXVFZSA-N 446.555 1.488 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC 1286418441 JASVIMVZQBBZKN-UHFFFAOYSA-N 430.530 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CCOC2)CC1 1286472638 UYGWTYXPZPLALS-VGOFRKELSA-N 445.951 1.978 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286627277 BYUUUDKKGJNBDA-JCGIZDLHSA-N 449.987 1.361 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OCC)CC1 1286663163 HQTPLCUZJNNTRA-KRWDZBQOSA-N 441.598 1.829 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286667104 OTPGSKZLACJEJM-QGZVFWFLSA-N 432.569 1.846 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 1298583760 FHMRKLRFLAZEKY-OSTNNTLRSA-N 435.424 1.185 30 10 IDEE COC1(OC)CC2(CN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C(C)C)C1 1300066614 XLAOLEJUOJFEBH-MAUKXSAKSA-N 435.546 1.861 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1300303855 LMIBYWOMMWPLFC-LHEBDHONSA-N 438.557 1.951 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1300381001 LOFNNYRLWPZCHM-TXPKVOOTSA-N 425.555 1.076 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1300411735 WKTZLGJEOCZXNB-IAGOWNOFSA-N 430.530 1.870 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC(F)(F)C1 1300465044 JXAFLFQJXDIWAU-HOTGVXAUSA-N 445.536 1.896 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300482800 HFBVMLACWUYQDU-MOPGFXCFSA-N 436.626 1.054 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(CC)s1 1300515964 FKTSHKPBQMYEJA-UHFFFAOYSA-N 440.554 1.884 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H](C)O1 1301358503 CHKMIQYKOYHGIP-GHTZIAJQSA-N 440.548 1.779 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1301424817 OTULUDGXQKWMOS-OAHLLOKOSA-N 427.571 1.124 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2C)C1 1301478393 JZNDOUIJMWGCPJ-GOSISDBHSA-N 426.521 1.605 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301505820 BHMRFTSYGWHWMG-LJQANCHMSA-N 439.564 1.555 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301516548 LTARTRDPCXYTRF-BJFAEBDGSA-N 444.536 1.909 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCCO)c1 1302429097 DVFGSBBURNKQEF-KRWDZBQOSA-N 433.534 1.630 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1302495562 HNGOERTWNUFICU-UHFFFAOYSA-N 437.529 1.988 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1303009520 KLIHSCLPMZALGR-QZTJIDSGSA-N 428.468 1.356 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 1303595158 CDZQPIWCDBCEDK-ZBFHGGJFSA-N 445.549 1.134 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)N3CCN(c4ncccc4C#N)CC3)[C@H]2C1 1313251816 QLZUQHPIEYVZKA-QZTJIDSGSA-N 426.521 1.898 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1315625688 BEGOVFFDRFXVQJ-OAQYLSRUSA-N 446.577 1.947 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1359007918 BCMPQHMYDNRYPA-NRFANRHFSA-N 435.576 1.507 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1359023682 RWAXTUIRCQDBIC-JKSUJKDBSA-N 438.488 1.220 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359054487 XJUABZRFZSCMLA-GOSISDBHSA-N 426.546 1.534 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359054488 XJUABZRFZSCMLA-SFHVURJKSA-N 426.546 1.534 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 1359226772 MFRZVDDLTJEMFA-QGZVFWFLSA-N 426.525 1.247 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359227582 FMOONHDCQDNOLX-ZWKOTPCHSA-N 447.561 1.826 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC[C@@H]2C)C1 1359313476 MRMJEXARKLQOQT-NNMXDRDESA-N 435.569 1.432 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1360160009 ZNAZFTWHXNDVFV-UHFFFAOYSA-N 447.499 1.631 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)c1 1434896361 UOGCFDUPNGPAFB-GOTSBHOMSA-N 449.555 1.329 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(Cn2cc(Br)cn2)cc1 1443533312 BSSJKKXFAJEIBV-HTXNQAPBSA-N 444.289 1.950 30 10 IDEE CC(C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](O)C(F)(F)F 1455052362 WXGXVAPRZUXNOR-MRXNPFEDSA-N 433.452 1.777 30 10 IDEE CC(=O)NCC(=O)N1CCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 1460599348 CKKOYBURLMFKDN-LJQANCHMSA-N 427.549 1.609 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3c(C)cccc3N2C(=O)OC(C)(C)C)CC1 1467815433 VHGVQECZOYHBIS-HXUWFJFHSA-N 440.544 1.555 30 10 IDEE C#C[C@H](NC(=O)NCCc1nnc2c(=O)n(C)ccn12)c1ccc(Br)cc1 1478895619 DZRBODWIFIZGFM-AWEZNQCLSA-N 429.278 1.407 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CCO1 1504722400 PNUFPMHZWOYTIM-LJQANCHMSA-N 426.521 1.831 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NC(C)C 1504887549 CGAUSJAGTJBZHY-GOSISDBHSA-N 428.493 1.682 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1505019808 YZLFDWGDGDWDGJ-HXUWFJFHSA-N 441.532 1.990 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1507529042 PFCHGKMIIQIRSR-XIKOKIGWSA-N 426.901 1.745 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507579854 JVHARPXUJUOXPK-UHFFFAOYSA-N 449.515 1.962 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1507677925 OSPPQLSAHFFWFA-UHFFFAOYSA-N 433.520 1.946 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F 1507687683 RHFLKBNKJHCPTO-UHFFFAOYSA-N 439.492 1.079 30 10 IDEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507868909 QEDDVUZSWYOSKF-CKEIUWERSA-N 434.880 1.903 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1508058791 FSLVMRYKXCJLTO-MOPGFXCFSA-N 447.561 1.593 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1 1508234890 CNMQPZIXSMVKCD-UHFFFAOYSA-N 435.532 1.792 30 10 IDEE CSCC[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1520274673 BDPDQTPUBXAIGP-QWHCGFSZSA-N 426.568 1.979 30 10 IDEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1521083467 WOBFVALOOMINSK-LSDHHAIUSA-N 447.421 1.210 30 10 IDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCOCC1 1537958020 XVEIUIVFDPCRFR-UHFFFAOYSA-N 426.922 1.663 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1539112194 LCNHSZNWMVBZHI-IBGZPJMESA-N 438.580 1.615 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1539210210 BRJMGSMASUFTTJ-KRWDZBQOSA-N 427.534 1.175 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539219782 FJTMJSGGAHRZDF-MSOLQXFVSA-N 432.521 1.986 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1539330762 BCTGGBATVLQGAE-GOSISDBHSA-N 448.518 1.219 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NCC=C)CC1 1539430181 HFBJYYHKQMVSHI-KRWDZBQOSA-N 426.496 1.615 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539480574 CFBABNACZNTPDJ-JPYJTQIMSA-N 429.565 1.689 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1539749966 FMLJEDCSHSBIOZ-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1539803166 GBFUFPSQJHPBEG-JYJNAYRXSA-N 445.973 1.369 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)C(C)(C)C)CC1 1539829049 SSKNFCAZXZEJBG-AWEZNQCLSA-N 433.600 1.258 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1Br 1540002663 BGAVTFAYELZQMG-UHFFFAOYSA-N 425.264 1.703 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1540020961 XZSSIHFVIIADDG-UHFFFAOYSA-N 430.553 1.698 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1540624347 XYCWPKSAMMRKAN-AWEZNQCLSA-N 448.545 1.947 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccco2)C1 1540892196 HNNGMIHGLWKIPP-RZQQEMMASA-N 436.534 1.462 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cncn2)C1 1540902616 NBGNNHKLJSJGMQ-DLBZAZTESA-N 435.554 1.206 30 10 IDEE CC(=O)NCC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541067033 CLGHUTJZSOMYMT-CZIZESTLSA-N 427.509 1.034 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)cs1 1542926019 NREKGONANWFXKC-QFBILLFUSA-N 433.607 1.800 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1546033238 RKBZAOOYUFXWHG-QGZVFWFLSA-N 438.536 1.374 30 10 IDEE CCCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1546981145 DAEIGVMMFGUBKM-LJQANCHMSA-N 440.552 1.986 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1548298659 APDPYQMOHVJVQM-AWEZNQCLSA-N 428.522 1.253 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1548333985 BYIZNIXWONFQHY-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COCCO1 1554327902 OHCOJKIJRAICGG-KBPBESRZSA-N 437.298 1.190 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1560080842 NRIPLMBCRXLUGH-UHFFFAOYSA-N 436.534 1.497 30 10 IDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1562117263 AEWCTSRQBSVKNL-RDJZCZTQSA-N 439.534 1.709 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CC1 1566317726 GWGXREAPYACZBW-UHFFFAOYSA-N 430.852 1.021 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 1570505351 AUTYJJSRQRCZOJ-ZNLUXHQJSA-N 438.553 1.958 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1587909345 JGRUWFPACGCMHJ-FXAWDEMLSA-N 444.605 1.795 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064779 PDTYSCKNUZKDDW-MOPGFXCFSA-N 431.562 1.562 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1588078106 BFSMONJDAHNZLJ-GOSISDBHSA-N 443.515 1.401 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1588647324 URNWEZCLIOYLKI-KRWDZBQOSA-N 442.545 1.316 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OC)CC1 1588885220 SPAPBMSCKHAWCF-UHFFFAOYSA-N 438.532 1.439 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1589068956 GIDFVFWXYOMQSX-MRXNPFEDSA-N 425.580 1.134 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1595467111 QGNSWZYJDZCUEB-HNNXBMFYSA-N 444.540 1.609 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1595536690 FOYWQPGVDVHRKF-CVEARBPZSA-N 440.504 1.198 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1595798204 NKHGXEWRALEOBQ-UHFFFAOYSA-N 445.611 1.055 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597161858 SOQFMTPCOYORRC-BOUUCUSLSA-N 444.536 1.486 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1598088727 DJIDCACODZPQAU-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1611535893 HPPJLHUPKFZJTB-SFHVURJKSA-N 433.564 1.823 30 10 IDEE N#Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccn1 1618793162 IHNVKPPEHRNUOD-UHFFFAOYSA-N 442.497 1.442 30 10 IDEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCCO4)n3CCOCCCO)CCO2)c1 1620348915 BNPGCQRIXZSCKY-WOJBJXKFSA-N 427.505 1.978 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 1621953626 OQWKKHYNGQUCAR-UHFFFAOYSA-N 426.310 1.198 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc[nH]n1 1622976937 KABLVLODUUEBPC-KRWDZBQOSA-N 441.488 1.043 30 10 IDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1628510825 NWLSQQPEEAQFOY-OAHLLOKOSA-N 448.463 1.876 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@]12COCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1630764578 IILFJEDDPQSWJA-LHSJRXKWSA-N 432.525 1.528 30 10 IDEE CN(C)C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 1634957731 GDSFMFAQGUEWFC-KRWDZBQOSA-N 434.949 1.952 30 10 IDEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)CC1 1639013796 LQBQTDBXYVMXIS-UHFFFAOYSA-N 443.525 1.559 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 1640091389 DKRXONJQIKMAKR-OALUTQOASA-N 427.526 1.710 30 10 IDEE CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N 1642563612 GCVXKQJDUGQFIQ-NVXWUHKLSA-N 448.545 1.257 30 10 IDEE C[C@H](CC(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1642586722 KEMWNHLQPXWXEJ-CWTRNNRKSA-N 428.470 1.367 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(c4cnnc(O)c4Cl)C3)cc2C1=O 1647765741 QLGWISMEAUEMBV-LBPRGKRZSA-N 427.848 1.626 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCOC1 1649663359 FFNHINZSIFFKGR-OAQYLSRUSA-N 448.474 1.820 30 10 IDEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1651055237 SPKMDRZCSHPZHH-HZPDHXFCSA-N 425.526 1.764 30 10 IDEE Cn1nnnc1CCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1653555850 OLIYTIQWQPINKA-SFHVURJKSA-N 425.493 1.665 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCC(=O)Nc2ccccc2C#N)C1 1654415143 PACWXQAKKLOHTO-UHFFFAOYSA-N 427.505 1.698 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1657039314 SWZBBQDNGMPLOW-UHFFFAOYSA-N 428.576 1.953 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)Nc1nc(Cl)c(C#N)s1 1678319440 ACOVANXJRAOKCC-UHFFFAOYSA-N 433.874 1.997 30 10 IDEE COC(=O)CCNC(=O)CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1684463757 WLOZRRJMHQWRAL-UHFFFAOYSA-N 438.488 1.007 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689989402 FGASGMLAMUKLDB-INIZCTEOSA-N 437.566 1.697 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccncc2)CC1 1690058561 ZXMZZGSBLKYNSS-UHFFFAOYSA-N 438.580 1.483 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)CN2CCOCC2)CC1 1690131426 ZKCKUNGTABNSJI-JOCHJYFZSA-N 436.604 1.787 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(COC)CCOCC2)CC1 1690132059 FXEWZSGZANIWQR-UHFFFAOYSA-N 441.580 1.338 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1690175379 VSTFFCSDHQUZLX-MRXNPFEDSA-N 426.608 1.940 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690250512 ILALCXJEJVPIOR-HMFYCAOWSA-N 444.580 1.877 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690319046 BCPKLLLOQZMQAA-MSOLQXFVSA-N 429.525 1.667 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1690398729 FRTHKIXPDOGGMK-JOCHJYFZSA-N 433.553 1.615 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3)C2)nnc1[C@@]1(OCC)CCOC1 1690678284 QPYKMOZACVHORW-WMZHIEFXSA-N 441.532 1.810 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1690947883 IEPLIRDPPUYFSX-UHFFFAOYSA-N 437.548 1.941 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1695793693 CXMVHYNOIIWTMN-QGZVFWFLSA-N 440.533 1.490 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)C[C@H]1O 1697064573 QHNVSBZIBXNEQU-PWIZWCRZSA-N 438.532 1.661 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697856571 JWIJJDPFGXJMCB-UAYHFDEJSA-N 444.536 1.909 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC=C(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1698144192 NSGUNAPQKHDDEM-MXLIYFDZSA-N 430.509 1.685 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1705560947 ORUIUQCKPFSSJJ-IKGGRYGDSA-N 442.607 1.386 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)C(=O)OC(C)(C)C 1705588093 VMMROAQLTUNJQS-ROUUACIJSA-N 431.537 1.942 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705659028 JMRFLRJJBQJWRS-IAGOWNOFSA-N 432.594 1.584 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC[C@H]1CCOC1 1705668347 JMVSQTRHIHMICS-MBOZVWFJSA-N 439.582 1.324 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1705674893 UHXJUJDIHQEPIK-FXAWDEMLSA-N 449.602 1.907 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1705725545 HLBIEWZELDELJR-APWZRJJASA-N 447.561 1.975 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CC1 1705782407 WJZLDPWWBDLYBD-SFHVURJKSA-N 435.594 1.985 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NC(C)C)C1 1705922378 LUONLSZPVJRIAX-OAHLLOKOSA-N 437.504 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705937800 FHCJFVDJBGUNHI-RTBURBONSA-N 449.625 1.659 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1705938728 IDHJCRUNMIEXBG-UXHICEINSA-N 440.566 1.148 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706609927 KIJFBYLOVFFPSQ-MXLIYFDZSA-N 443.552 1.815 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1706747403 LZKULQYQBUHBMZ-HZPDHXFCSA-N 429.525 1.775 30 10 IDEE Cc1ccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1707315320 HGVGQHYVAHYYSW-KRWDZBQOSA-N 438.467 1.285 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1709185471 ADVLOSDVSAVSLT-IBGZPJMESA-N 437.548 1.642 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1710826335 WOMUJTPSERDQOT-GOSISDBHSA-N 446.577 1.961 30 10 IDEE CO[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712058107 HWDYDUVLDVUKHC-UNEBPCJRSA-N 437.504 1.406 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1712565237 CETKTOQMJWJPHU-MJGOQNOKSA-N 431.541 1.940 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1722325583 ASISQLPFDCHDII-HXUWFJFHSA-N 436.520 1.966 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722334368 FPHOWZQXTASBBI-LJQANCHMSA-N 428.562 1.682 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1OC 1722344586 KMZUXHHRMPLRLT-CYBMUJFWSA-N 437.522 1.032 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722360190 DUHWHLVUNCUZMF-PGRDOPGGSA-N 443.573 1.908 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1722383518 IQDQHRCULGUJQS-IBGZPJMESA-N 427.530 1.041 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1722437880 LCDXVUIRKVHGNO-SFHVURJKSA-N 433.516 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2(COC)CCC2)CC1 1722446350 STKGBGYJSQDCDC-UHFFFAOYSA-N 437.548 1.908 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722513468 XCEWVMOOLYBRIJ-HUUCEWRRSA-N 430.475 1.895 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722522539 VLPUYGBIPGLVMT-KRWDZBQOSA-N 449.581 1.649 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)CC 1722647326 HUNHJGBTYGGIML-UHFFFAOYSA-N 425.581 1.743 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCCC2)C1 1722710455 JCAZVMHTJWTJJO-CVEARBPZSA-N 427.571 1.365 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)SC)C1 1722719472 UUQFKRLGDQMSSI-XHSDSOJGSA-N 445.611 1.144 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722737811 RRXKKQPCWOPHJV-UHFFFAOYSA-N 428.566 1.992 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCSCC1 1723940422 BZEDFQUKXVGSGZ-QAPCUYQASA-N 441.627 1.067 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cs1 1725346401 XRTBJRRMSGRUKA-IBGZPJMESA-N 433.513 1.358 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1740602731 SGFVPMOJTBSDIX-OAHLLOKOSA-N 448.545 1.865 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1740647358 MXXMULDZSBSLJN-IBGZPJMESA-N 442.541 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1740681048 AVJVKMPTCNOKRV-QFIPXVFZSA-N 429.521 1.115 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1740684645 XQZAAFSNINVCGH-UHFFFAOYSA-N 444.536 1.203 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1C(C)(C)C 1740965467 PVBZDMACNWBCNJ-UHFFFAOYSA-N 442.568 1.702 30 10 IDEE CC(C)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741348509 MQWXXGUSWKXNRB-VZCXRCSSSA-N 443.552 1.623 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(NC(N)=O)cc1 1744691902 BESKCLWPQXQYHO-UHFFFAOYSA-N 431.504 1.973 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1cccc(C(N)=O)c1 1744692207 HIRBHVIFANXKEX-UHFFFAOYSA-N 430.516 1.775 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1748802906 TWOOWQBHAACLEW-OAHLLOKOSA-N 435.575 1.347 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748814251 BUGHOSDSRGGYLQ-MSOLQXFVSA-N 435.594 1.631 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748815762 TXIWILJZIDXWCU-WBVHZDCISA-N 431.493 1.043 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC 1748858248 NMDVYSOJINFXFE-QZTJIDSGSA-N 431.537 1.942 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1748892929 YCCPJLPHYNDBOK-UXHICEINSA-N 431.606 1.764 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1748912762 IGUCQUKJPRNPHZ-HSZRJFAPSA-N 440.548 1.670 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1749040535 ZSZHQKHNAYKPDG-UHFFFAOYSA-N 426.590 1.931 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749097621 FOBAQCYCRWINSY-STQMWFEESA-N 441.330 1.853 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](COCCOC)C1 1749109692 VTYIKTQPRAGJMB-OAHLLOKOSA-N 442.358 1.798 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C)C1CC1 1749519646 ONWCFTWCRWODIQ-QZTJIDSGSA-N 438.598 1.106 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749650568 BSNFPLYTPFTUOS-CVEARBPZSA-N 425.493 1.090 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749650570 BSNFPLYTPFTUOS-HZPDHXFCSA-N 425.493 1.090 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749676584 VWSFTWAXDLZULG-GSHUGGBRSA-N 426.521 1.339 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2cccc(F)c2)CCO1 1750386460 GZVSXEAKVVXBJD-QGZVFWFLSA-N 437.435 1.872 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1751094250 GUGNXSMVLDPGNZ-APWZRJJASA-N 425.537 1.956 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCO[C@@H]1CCOC1 1751222104 LQHCPQBUMHGUMO-FCEWJHQRSA-N 440.570 1.214 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760152233 YIRPNCJDWHLWEJ-UHFFFAOYSA-N 439.545 1.626 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1760186701 FLGBHKFZBONVLI-JKSUJKDBSA-N 435.575 1.846 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760440901 SQILBCQQTNVJTQ-HNNXBMFYSA-N 445.611 1.007 30 10 IDEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1760442470 BGCWFCIGCKBSHG-FQEVSTJZSA-N 437.592 1.921 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C)C(C)(C)C1 1760457050 FATCNBFOHAKMRA-UHFFFAOYSA-N 446.621 1.997 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1760494437 NPNITKHEZQCBQS-INIZCTEOSA-N 448.487 1.761 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1760523468 ZBTTYIWQVUQQKR-UHFFFAOYSA-N 448.531 1.510 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1760556222 XBNSECZGOFIOJE-PGRDOPGGSA-N 446.573 1.789 30 10 IDEE CC1(C)CN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1761566483 SXYXDKPIGJNVPU-SFHVURJKSA-N 441.492 1.693 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1762268918 WUZRTMMPVPGDOM-QGZVFWFLSA-N 448.549 1.723 30 10 IDEE Cc1nccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1762348370 PXBVGRDHHSOYSF-HNNXBMFYSA-N 434.570 1.614 30 10 IDEE CCOC(=O)N(C)C1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1765687166 XPSSKNNKZLMLNL-ZCXUNETKSA-N 431.497 1.170 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC#N 1766718478 GQZYAWBSJLPIFR-MAUKXSAKSA-N 448.549 1.858 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1767151408 QPWNQGPXYLFRGC-JOCHJYFZSA-N 446.575 1.374 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1767848173 YJVURFNQRKRSMA-GOSISDBHSA-N 429.550 1.040 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1770015235 DFVNDXBBCNYXEG-SKOAFDGASA-N 432.525 1.765 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1)[C@@H]1CCN(C)C1=O 1849167110 JMNNGZMRZUPOEX-MOPGFXCFSA-N 435.546 1.484 30 10 IDEE N#Cc1ccc(N2C[C@H](OC(=O)CN3CCn4cnc(-c5ccccc5)c4C3=O)CO2)nc1 1852614446 ODMLLVZNYHLQLD-SFHVURJKSA-N 444.451 1.636 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(Cl)c1 1856263633 JQWLTWHELHINSF-CYBMUJFWSA-N 432.889 1.810 30 10 IDEE C[C@H](CC(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1ccnc1 1856305942 FGOMYSOQIRTIPI-SJORKVTESA-N 426.546 1.713 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(F)c(F)c3F)C2)CC1 1857042479 YVZLVJMGKJNKOO-GFCCVEGCSA-N 429.420 1.658 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2OC)cc1 1858966856 VFJFXVATEMQZTF-UHFFFAOYSA-N 446.481 1.611 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1862610065 BHKLGYIXJJFIGU-SFHVURJKSA-N 442.380 1.642 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCC(O)CC1 1870397647 NBZCPBNLDXWJNF-UHFFFAOYSA-N 442.472 1.917 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOC)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564649 VHJZWYKFHFFWRR-UHFFFAOYSA-N 430.509 1.722 30 10 IDEE CN1CCN(Cc2ccc(N3CC(=O)C(c4nc(O)c5ccccc5n4)=C3N)cc2)CC1 1872730642 HWVVKWVFEAVFHJ-UHFFFAOYSA-N 430.512 1.799 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@H]3C#CCN(C)C)OCC(=O)N2C(C)C)cc1 1889997658 MVIOWGNLJNTAQS-PTUXOGIPSA-N 427.545 1.928 30 10 IDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC(COc3cc(C#N)ccn3)CC1)CS2 1891934850 YNQVPLGLNBBQCA-QGZVFWFLSA-N 425.514 1.858 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2127789992 QGKAZEOFBHFCDG-SFHVURJKSA-N 448.369 1.920 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2247909309 HYMKTSFTBMEKLK-KGLIPLIRSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2255632007 HHFQDWMXZHTSQM-ZIAGYGMSSA-N 432.330 1.552 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)n1 2267176578 BTZICXRWRYYQFY-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](C4OCCO4)C3)s2)OC1(C)C 2267378390 LZJQYXZQALVMHW-ZDUSSCGKSA-N 429.369 1.821 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]21 2268721154 HOTXBWNFJQGYIV-BRWVUGGUSA-N 445.325 1.954 30 10 IDEE Cn1ncc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2269074419 QYDWECIOQXXUBZ-INIZCTEOSA-N 443.309 1.509 30 10 IDEE COCCN1CCC[C@H]1CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 303436114 DMPQDLYWWBDIHS-INIZCTEOSA-N 428.493 1.749 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCO1 409512509 JTVFGXDCOVBYDJ-CVEARBPZSA-N 436.538 1.187 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440381978 MTKWBJMJQHXZJK-SFHVURJKSA-N 446.488 1.695 30 10 IDEE N#Cc1cnc2c(Br)cccc2c1N1CCN(C(=O)CN2CCOCC2)CC1 440657638 AVDKHYNVQWXQCC-UHFFFAOYSA-N 444.333 1.850 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)CC2)cc1 467701131 RFFPXHXFFDPOSF-RBUKOAKNSA-N 432.546 1.509 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)cc1Cl 473457218 ZQSBFXPKFRVDBF-SJORKVTESA-N 433.873 1.917 30 10 IDEE C[C@H]1CC[C@@](CO)(N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 495227926 CGBIQIBKXNZXOH-KSFYIVLOSA-N 427.505 1.938 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 504085651 PVJDSDFGZPXUDA-UHFFFAOYSA-N 436.516 1.389 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)N(C)Cc2ccccc2)CC1 508939552 TUXJDXYDQCRNLU-IBGZPJMESA-N 426.521 1.926 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 515558846 HVFFPRFVWVFDSG-SJORKVTESA-N 427.571 1.583 30 10 IDEE CN(C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 538451698 OUMSGJVQVGLHCY-UHFFFAOYSA-N 442.950 1.852 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 555253577 LYSDZIZYGHJVGZ-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)nc1 555401400 VXPFMIZJLDFKSG-ZWKOTPCHSA-N 425.493 1.138 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 569157642 ZAVRWIRUEPTYOG-SJORKVTESA-N 446.577 1.683 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nnc1N1CCNC(=O)CC1 582873463 RXKHPZVGHHNGFI-UHFFFAOYSA-N 444.561 1.632 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(F)c1 586860881 SOXQQPAPXKXAGT-KRWDZBQOSA-N 427.411 1.875 30 10 IDEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732154999 WSXVSXOGIXIQIK-VGVBMJIYSA-N 431.468 1.292 30 10 IDEE C#CC[C@@H](O)CNC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757485860 NRBJYCUQAWYKDC-VFNWGFHPSA-N 436.464 1.869 30 10 IDEE COc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1 759718765 PLKMRQUHHXHZNA-CLCOLTQESA-N 444.513 1.877 30 10 IDEE CCC1(CC)CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC[S@@]1=O 769632403 KXHGIBFKBVXWDV-PWFNWSNSSA-N 425.576 1.653 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774510322 ACHHYZSUQZDLDR-UHFFFAOYSA-N 433.533 1.877 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)n1 788895374 IAESSPBJCDDNML-MRXNPFEDSA-N 433.534 1.344 30 10 IDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccnn3-c3ccccc3)c2=O)cn1 790359980 AUKVXUGAAMKPSE-UHFFFAOYSA-N 426.461 1.515 30 10 IDEE C=CCOC(=O)N1CCC(OC(=O)c2cc(S(=O)(=O)N(CC)CC)cn2C)CC1 790857175 LGHVNFPPBSDMAJ-UHFFFAOYSA-N 427.523 1.999 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cncc3ccccc23)c1=O 794644564 FHUHLJNISJCDNB-QGZVFWFLSA-N 429.501 1.590 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1 804352132 HQASRAIOXAEEEM-INIZCTEOSA-N 428.297 1.993 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 804457269 RDZZVYMNDYHHQT-ZWKOTPCHSA-N 425.510 1.438 30 10 IDEE C=CCC1(S(=O)(=O)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 810986801 NNOOZGGSHFKANL-UHFFFAOYSA-N 441.575 1.705 30 10 IDEE C[C@@H](CC(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C)/N=C1/NS(=O)(=O)c2ccccc21 812384444 NSRFJJVAQQXIKP-NSHDSACASA-N 443.485 1.038 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1 812526158 DELQFZZQSAJZDQ-UZLBHIALSA-N 431.445 1.542 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCN(c3cc(C#N)ccn3)CC2)C1 816483706 BTLWZAUMSXNZOT-LJQANCHMSA-N 442.564 1.839 30 10 IDEE CCCC(C)=NNc1nc(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)n[nH]1 1084123869 IYCHXBBHFFLYCL-UHFFFAOYSA-N 435.558 1.775 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2cccc(F)c2)n1N 1084247842 YNJJJPUVYBCWJJ-UHFFFAOYSA-N 447.500 1.113 30 10 IDEE Cn1c(=O)c2cc(C(=O)Oc3c(F)cc(C#N)cc3Br)n(C)c2n(C)c1=O 1131398917 DXNZSOYVRMADBO-UHFFFAOYSA-N 435.209 1.568 30 10 IDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1135633345 RZRXUBKSQDQRGO-GOSISDBHSA-N 448.394 1.239 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)c1 1136749441 PJCIOIAMHNJORB-UHFFFAOYSA-N 446.550 1.937 30 10 IDEE COc1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)ccc1OCC(N)=O 1161796775 DHTYGMHRCRQQOP-UHFFFAOYSA-N 427.413 1.077 30 10 IDEE C=CCn1cc2ccc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2n1 1178765455 LSZWOTBKPMSYDO-UHFFFAOYSA-N 441.513 1.841 30 10 IDEE C=CC[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)C(=O)OCC 1189089786 XAPBSELHNZBWMR-KSZLIROESA-N 440.518 1.450 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2)NC(=O)NC1=O 1251866715 REAGIEIPDKPAQO-RDPSFJRHSA-N 446.511 1.661 30 10 IDEE C[C@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CN(C)CCN1C 1256466405 RQQBJGLTSFKIMZ-YWZLYKJASA-N 442.543 1.331 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286390524 AMJIVTNZSHNHAI-QYZOEREBSA-N 435.594 1.488 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1286395144 LHEDRIOYJRSBBS-SFHVURJKSA-N 425.514 1.765 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1ccnc1C 1286408150 DTFSEAWOJRSBSH-UHFFFAOYSA-N 426.484 1.470 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2([S@](C)=O)CCC2)CC1 1286490016 JSQOJTFMTVAATR-HKBQPEDESA-N 440.573 1.607 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)C)CC1 1286663232 JFBIMCYAEBGXMW-MSOLQXFVSA-N 441.598 1.684 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286716362 MBVJUZWQLRQIAZ-HLAWJBBLSA-N 446.596 1.711 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1292375191 ZEDFZTBLMBTVSW-SFHVURJKSA-N 443.548 1.543 30 10 IDEE COC(=O)C1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)(C(=O)OC)CC1 1295085657 UYBYRFFXLRHSKB-UHFFFAOYSA-N 440.449 1.128 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1297585239 ASTLWUBKHDLHQS-UHFFFAOYSA-N 448.549 1.283 30 10 IDEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@]1(O)CCS(=O)(=O)C1 1300441472 PJKRYROQQFFFMD-VLIAUNLRSA-N 434.587 1.750 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1300502081 QQGDMWFWSFXRFG-QGZVFWFLSA-N 437.591 1.686 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1300556198 DXAQRKYXTLXSJN-RTBURBONSA-N 434.610 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCN(C)C1 1300574549 CMTXWNOVVBJMOG-DEOSSOPVSA-N 429.528 1.660 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1 1300692441 FJQADTQGZZOZLD-UHFFFAOYSA-N 433.560 1.419 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nnc(C(C)(C)C)s2)CC1 1300695702 GOXWSYFYCVDVGE-UHFFFAOYSA-N 425.566 1.631 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1300756025 CCAWLLCERWFJFK-CQSZACIVSA-N 439.545 1.259 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCNC2=O)CC1 1301483705 UYABBKIXRTYMLP-UHFFFAOYSA-N 439.520 1.250 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301491022 CCEWIBRTKKNLDJ-OAHLLOKOSA-N 443.939 1.941 30 10 IDEE CC(=O)NCC(=O)N1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 1302226227 IBIOJFZWEBONPT-UHFFFAOYSA-N 434.496 1.948 30 10 IDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1304002825 ZKIWUTATLLJCKQ-FTRWYGJKSA-N 427.567 1.960 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)c1 1304727521 KDRGFRMPWUGAEW-LFDOHDQPSA-N 436.555 1.545 30 10 IDEE Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)s1 1304774519 FPNVOVZIBQNZGL-NWDGAFQWSA-N 426.572 1.419 30 10 IDEE CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1305590744 RWNYZQWDKHMBSW-UHFFFAOYSA-N 425.445 1.542 30 10 IDEE C=C(Br)CNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1311758220 ZHIOWEWMRFDRRT-GFCCVEGCSA-N 440.360 1.618 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1316250924 GOOYFPHQLJLNHT-IBGZPJMESA-N 441.532 1.848 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1316285247 NPYHTIYHOBRGDG-DJPFJPOOSA-N 429.500 1.953 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1358889936 JFLALRFDOVSKDK-AEFFLSMTSA-N 429.546 1.377 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1358890859 WJEBOQUUAAVULI-SUMWQHHRSA-N 439.488 1.395 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCC(O)CC1 1358946339 RCCGSWRPHIXKPW-UHFFFAOYSA-N 445.593 1.154 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1358962863 YFVWPRQNPPSSPA-OKYOBFRVSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C1CC1 1358971359 RNUOTNVEHCRNBQ-JOCHJYFZSA-N 440.573 1.780 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1359010146 HPIGRVXRGONOKN-FQEVSTJZSA-N 445.589 1.930 30 10 IDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1359012901 CJUXMNKXDZKYQO-UHFFFAOYSA-N 432.546 1.565 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(Cl)c2)CC1 1359035481 VJZRDYTZDGOHAK-KRWDZBQOSA-N 428.924 1.695 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(CCOCC)CC2)CC1 1359043768 HUGQKSHYROUALM-UHFFFAOYSA-N 437.548 1.908 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1 1359076456 BYXIVXTWVRXDNY-GFCCVEGCSA-N 434.298 1.536 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359118362 DJLABUPHENEZBK-HXUWFJFHSA-N 431.518 1.956 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1438342369 GDRPXOSSPJTBJL-MRXNPFEDSA-N 430.555 1.808 30 10 IDEE CSc1nc(O)c(C(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1C#N 1440150390 DKRIADQEWQOQNJ-BMIGLBTASA-N 435.449 1.962 30 10 IDEE C#CCN(C(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCS(=O)(=O)C1 1442017124 ISOMUPRGGZMVSC-QRWLVFNGSA-N 439.534 1.181 30 10 IDEE C[C@H](CC(=O)N1CCC(N2CCCOC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1456480175 YNQAQVFZGKPQPE-CQSZACIVSA-N 434.518 1.337 30 10 IDEE N#CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F 1462890813 HLYGROJUHAQLAW-FZMZJTMJSA-N 434.396 1.956 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)C[C@H]1CS(=O)(=O)C2 1463163504 OBCKNUHMAYGTDN-VBKZILBWSA-N 432.429 1.368 30 10 IDEE C#C[C@@H](CO)NS(=O)(=O)c1[nH]c(C(=O)C(Cl)(Cl)Cl)cc1Br 1463780447 FJYLKMWKFSWNJU-YFKPBYRVSA-N 438.514 1.603 30 10 IDEE CN(C)CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1471034941 JEYNZVZOPGJCTI-CYBMUJFWSA-N 448.408 1.593 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CCO2)cc1 1472149020 NVALYSPSPVOHFS-HXUWFJFHSA-N 434.500 1.377 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1472566394 LXHDTWZEWSMSSX-MJGOQNOKSA-N 443.485 1.933 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1504812351 CESRYARQIOOWJK-WOJBJXKFSA-N 437.548 1.500 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@](F)(C#N)C1 1505144591 RHXHBXZWEHVKPF-KRWDZBQOSA-N 426.905 1.980 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC(=O)NCC2CC2)c1 1505313808 HTHHTQCLERUADH-UHFFFAOYSA-N 435.532 1.825 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 1507710677 JHEWKOLBBPERPQ-QZTJIDSGSA-N 449.552 1.852 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1507710745 KFXBZGJFGHHZDE-NRFANRHFSA-N 441.532 1.599 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1507754596 OBGLMKCPIBBAHE-SFHVURJKSA-N 435.594 1.518 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507790891 FBOFNTDLLPDBLG-YDHLFZDLSA-N 428.331 1.578 30 10 IDEE C=CCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508066619 UVFRTQPIDBRJGK-VGOFRKELSA-N 443.552 1.902 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)CCC)CC1 1508084161 JDOXUHLZEBRCKZ-UHFFFAOYSA-N 425.537 1.451 30 10 IDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1508165357 SNFMZHQVPGOYEL-UHFFFAOYSA-N 441.561 1.704 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)CCOC1 1509817015 OJJXILNPUWUONN-WOIUINJBSA-N 449.552 1.491 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1516964502 GZYGTAUQMULDOS-VSOVRNOCSA-N 438.532 1.804 30 10 IDEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCN(C)C)cc1 1518161080 GMCFDXSROOFILX-FQEVSTJZSA-N 439.564 1.708 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519523688 NSKGBTOEIYACIU-UHFFFAOYSA-N 439.501 1.310 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(C3OCCO3)s2)c1 1526854061 VWPFUPFHHNBYSF-UHFFFAOYSA-N 427.482 1.675 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1539124083 BVCCDXGARIDUBW-SFHVURJKSA-N 446.577 1.521 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1539295755 FFCZLCRGRDRQOI-GOSISDBHSA-N 434.610 1.473 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1539428800 WTEQTOISRFCHKK-LJQANCHMSA-N 428.512 1.698 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1539441041 JDHXVFXCJBXDEG-JOCHJYFZSA-N 435.620 1.974 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCn2cc(Br)cn2)CC1 1539444203 IYOBXNCDNUKWDZ-UHFFFAOYSA-N 429.326 1.688 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCN(CC)CC2)CC1 1539482341 LOALQYPVYHLZDQ-UHFFFAOYSA-N 443.640 1.470 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540872321 KSQYPBVJVAELOJ-AEFFLSMTSA-N 442.951 1.787 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1540880240 BAJACQZZTUYJLN-MSOLQXFVSA-N 443.529 1.522 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C)CC1 1542892929 AOVWEZDQAWIKLJ-NRFANRHFSA-N 442.560 1.845 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543492363 NQIXNSZQUIOYJM-RMYFCYLKSA-N 427.509 1.129 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1554542155 BGUWNVWIAJPBNP-QGZVFWFLSA-N 435.488 1.818 30 10 IDEE CCN1CCC(N2CCC(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)CC1 1556457378 DUDXTGMHWNRZQV-HSZRJFAPSA-N 437.588 1.972 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1556797143 PYOXMWBZVKHDBE-HXUWFJFHSA-N 447.557 1.679 30 10 IDEE C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCCc1ccccc1 1564689470 HPAVHBNFKJPCKG-UWJYYQICSA-N 433.512 1.706 30 10 IDEE C#CCOc1ccc(CNC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 1564799094 WZOIPLFYFOWBCZ-UHFFFAOYSA-N 446.485 1.922 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(F)c(F)c1 1565454510 GNINDJPIEZAZQM-AXHNFQJDSA-N 435.456 1.367 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C3CCCC3)cc2C1=O 1570241753 JPMAKQPNKRRBAQ-GOSISDBHSA-N 448.545 1.153 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOC(C)C 1587638212 CMXNXNYGEATODU-DLBZAZTESA-N 427.571 1.274 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N(C)C 1587663637 ZXGAONLPAFASCE-HXUWFJFHSA-N 437.592 1.579 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nnc(C)s2)CC1 1588733654 XQWFFCMSMVPNKG-UHFFFAOYSA-N 437.533 1.083 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1595506738 LEBQBUKGQXSJKL-NRFANRHFSA-N 447.923 1.905 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N2CCOCC2)C1 1595699634 GFJPDBINJSNBNQ-FQEVSTJZSA-N 441.532 1.984 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCO[C@H](C)C1 1608453563 IYRUBFHJYZFSFH-CABCVRRESA-N 439.520 1.766 30 10 IDEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1611549129 RDQJUCRTBFNBOG-LJQANCHMSA-N 441.469 1.994 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)C 1617266998 ACZAOGGPOVJZCF-MRXNPFEDSA-N 446.577 1.991 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1619969088 MIJVAMBUHQQQMA-VQIMIIECSA-N 447.561 1.945 30 10 IDEE CS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1620176670 VALPMBWAAIYABT-SFHVURJKSA-N 435.598 1.127 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1634863467 JDINZUFTUQPHEN-CALCHBBNSA-N 429.525 1.224 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)CCc3c(C)nn(CCC#N)c3C)C2=O)cc1 1635977247 POMQWDVYLYZKGN-QFIPXVFZSA-N 438.488 1.853 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)C2)C1 1636446989 AMAOQGUWXXJMRI-LPRCSBTHSA-N 426.539 1.053 30 10 IDEE C=C(C)CONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1639694338 BPQPQPGDHDIWJO-UHFFFAOYSA-N 436.534 1.634 30 10 IDEE C=CC1(CC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CN(C(=O)OC(C)(C)C)C1 1640828097 OVTKZVAARJDUEC-JOCHJYFZSA-N 437.537 1.276 30 10 IDEE CN(C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1CN(C)C 1642669715 MFTNFIXTJPPVGR-RCCFBDPRSA-N 431.968 1.762 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1645906189 GAWYSJWQLUSORJ-LLVKDONJSA-N 432.786 1.633 30 10 IDEE N#CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 1645935536 ZZALUKNLLQJBHO-WXHSDQCUSA-N 425.816 1.425 30 10 IDEE C#CCCN(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1646486265 ULWRTVPHNJRWMW-MRXNPFEDSA-N 428.938 1.909 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC([C@@H]4COC(=O)N4)CC3)C2=O)cc1 1653002907 RTOQCFKMQOWXLW-SJORKVTESA-N 425.445 1.110 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@@H]2c2ccccc2)CC1 1656274573 IVIKIFPJYJJGSY-LEWJYISDSA-N 432.590 1.541 30 10 IDEE C#CC1(O)CN(C(=O)Nc2cccc(-c3c(C(=O)OC)c(C(=O)OC)c4n3CCC4)c2)C1 1658486302 WZARVFMZVDDJMY-UHFFFAOYSA-N 437.452 1.886 30 10 IDEE CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1660579255 HBERKFGQZOLHER-UHFFFAOYSA-N 427.317 1.951 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)CC1 1676177536 ANXBPHQBUNQDJS-LJQANCHMSA-N 447.605 1.356 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC(C)(C)[C@H]2COCC23OCCO3)C1 1681433302 FSCUGBDXUOQCNJ-HRCADAONSA-N 438.525 1.460 30 10 IDEE CC(C)C[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)N1CCOCC1 1682241061 YIZYJBXVRLGBRL-IBGZPJMESA-N 428.537 1.495 30 10 IDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1683594573 NOXYQJGLXNIJDR-QGZVFWFLSA-N 435.521 1.757 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)NC 1690091010 GUDZJBNKYXBJFR-UHFFFAOYSA-N 442.520 1.592 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)CC1 1690122310 NFGMFAWEWUNKEU-ZWKOTPCHSA-N 427.578 1.349 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@H]2C)CC1 1690134781 FVBOAYAWUKKTDN-SJLPKXTDSA-N 430.553 1.055 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSC[C@H]1C 1690668689 FGKMDVFFGINTPK-CQSZACIVSA-N 449.606 1.482 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690743571 CZLMOQRDOFBRSK-INIZCTEOSA-N 431.566 1.678 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1693853125 OTLUCCATRCAELU-APWZRJJASA-N 428.562 1.924 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1705478213 XZUBMDVPCSUTCV-IRXDYDNUSA-N 446.577 1.231 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1705592224 SPGYPCVAEQMUTE-UHFFFAOYSA-N 447.499 1.578 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C(C)C 1705624884 ADRBFPGBQKHBKH-SFHVURJKSA-N 426.496 1.780 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN(CC)C(C)C)CC1 1705650950 DSJVLAADSZZATC-UHFFFAOYSA-N 443.596 1.097 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC[C@H](CO)O1 1705882695 GYWQCLLWFZMBPI-ZWKOTPCHSA-N 430.505 1.895 30 10 IDEE CC(C)CN(c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1706492610 XPWCTULSBUMYQW-MEUCICPISA-N 429.525 1.626 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1706936826 CEOAWKKMPVRBJJ-QZTJIDSGSA-N 429.569 1.596 30 10 IDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(=O)(=O)Cc1ccon1 1707922910 SZMQWARHLQFKOM-MJGOQNOKSA-N 441.517 1.438 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1711234928 HHIYKOHVFCNUGI-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE Cn1cccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1711266286 IKWFQOAYJWNSCK-HNNXBMFYSA-N 443.533 1.562 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722323063 ZRIMQASXAASYKI-IBGZPJMESA-N 437.548 1.178 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1722324332 PNCSARNAXFSZIM-MSOLQXFVSA-N 449.581 1.020 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722691002 NVLMVFRZLXZNDU-HOTGVXAUSA-N 444.511 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C(=O)OC)C1 1722693495 PTSJJCSLRDFKOG-INIZCTEOSA-N 435.488 1.637 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1722698246 XHXWTIQBRMGLKY-AWEZNQCLSA-N 430.538 1.136 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722702368 ISADIWCFSKLMJI-UVELEOGVSA-N 447.580 1.883 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1726699077 OHURNKPTPTWRFE-YKHTYXQRSA-N 432.550 1.640 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728255641 JBVGFCHHOHYXOH-UHFFFAOYSA-N 447.499 1.967 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1730421955 HTZFKJONCNXSLR-OXQOHEQNSA-N 438.532 1.973 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1730841862 OEFRFDITPUBVHO-MNEFBYGVSA-N 426.562 1.881 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCS(=O)(=O)c1ccccc1 1740598798 DXZPSBSSQYKETE-UHFFFAOYSA-N 438.513 1.859 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1740599400 ACWNVSAVHUTMOC-FZKQIMNGSA-N 425.942 1.519 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740600331 LPOOYXYAJCJVFG-AUSIDOKSSA-N 443.548 1.975 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1740611011 RBKAIHIFDVEJNS-LPHOPBHVSA-N 425.489 1.355 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@]2(O)CCOC2)n1 1740688858 KQEJXWVRTFNJLP-QFIPXVFZSA-N 428.537 1.570 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1740716759 YRPIVOWBYYUQOE-UHFFFAOYSA-N 446.558 1.441 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740959033 JITGKILNJGGJKV-UHFFFAOYSA-N 425.537 1.645 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1741120561 MIQSXRJUCNIUPV-IRXDYDNUSA-N 447.540 1.605 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1742284666 SQTPDCXNIIHMAG-XUVXKRRUSA-N 427.505 1.743 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccccn2)CCO1 1748222089 DQZBICAUFQKZNE-FQEVSTJZSA-N 447.499 1.318 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC#C)CC1 1748745492 SICBGGOISHSGIT-UHFFFAOYSA-N 425.562 1.407 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1748750949 ABBWEERXROHZFE-JYRCXFKTSA-N 434.587 1.967 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1748817112 FFXSCEYGMHWEIZ-IRXDYDNUSA-N 446.529 1.171 30 10 IDEE C#CCN(c1nnc(COCC)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748824773 STPAVCIPHSHZFB-ZDUSSCGKSA-N 440.513 1.737 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1749065005 QWEVNLHCMBHGNE-AUSIDOKSSA-N 427.597 1.495 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCc3ccccc32)CC1 1749287157 YCMATXRBDLNFBS-IERDGZPVSA-N 431.562 1.879 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1749465740 HMFXMGXWCLFVSK-OAQYLSRUSA-N 437.541 1.846 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749663790 QSQNNBAMTYRCSF-UHFFFAOYSA-N 440.552 1.352 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749677234 SGEFPUZZTBGTIT-HNNXBMFYSA-N 429.506 1.502 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760191472 IEXYBNVRQVYUGX-GOSISDBHSA-N 445.520 1.215 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1760240273 MIXJIJRZPGRVQJ-JOCHJYFZSA-N 428.512 1.262 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCCC[C@H]2C)CC1 1760251451 AOLLEOOHEBVPME-HXUWFJFHSA-N 429.613 1.826 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN(CC)CCC(F)(F)F)CC1 1760260592 YQLHIEKILSGBEH-UHFFFAOYSA-N 436.486 1.765 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1760269108 YKOLOFPFSTWNFN-NUJGCVRESA-N 428.537 1.010 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760278649 CFNQFUBZBVPGDE-UHFFFAOYSA-N 437.577 1.778 30 10 IDEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760438390 GNKIPKJLADWNGV-GOSISDBHSA-N 430.553 1.757 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1760440150 CMGMKXGGUMICEQ-KRWDZBQOSA-N 437.570 1.430 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](CN3CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760528579 HABJHTDAJVQGMY-WMZHIEFXSA-N 446.596 1.545 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1760544181 YYUYQLQYWGAKLJ-MKXGPGLRSA-N 432.569 1.510 30 10 IDEE Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762604342 WELVUSMWAWIXIR-ISLYRVAYSA-N 441.517 1.137 30 10 IDEE Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762604343 WELVUSMWAWIXIR-ZCXUNETKSA-N 441.517 1.137 30 10 IDEE Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762608989 BLVNHNKMSJHUCH-VHEBQXMUSA-N 442.911 1.488 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1766692542 SHKBTDMVXDOFGS-GOSISDBHSA-N 439.564 1.842 30 10 IDEE CN(C)CCOCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768521577 QOBHCFRFJZZFIT-UHFFFAOYSA-N 448.531 1.377 30 10 IDEE CSC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1770396398 HTHAOZAWSAOVPS-GUYCJALGSA-N 446.574 1.195 30 10 IDEE CSCCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1771458369 ZWASUZVBAQJHDG-HZPDHXFCSA-N 427.596 1.832 30 10 IDEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)CC1 1771534087 MNVCCCISYHNTKY-UHFFFAOYSA-N 445.505 1.629 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCc2cn(C)nn2)C2(C)CCN(C)CC2)c(C)c1 1853528518 SKLUCMXRQDXNCS-UHFFFAOYSA-N 434.566 1.972 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)Cc4cccs4)C3=O)CC2)CC1 1853676002 YMAQWQSPCAUJPH-IBGZPJMESA-N 428.558 1.892 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)C3(CCCCC3)C2=O)cc1 1856649573 OECNKIHFGJIFFH-UHFFFAOYSA-N 432.546 1.838 30 10 IDEE CC(C)(C)c1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cn1 1857064478 YRDATANDABEYDA-QGZVFWFLSA-N 432.546 1.933 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC2CN(C3CCOCC3)C2)[C@@H]1c1ccc(C#N)cc1 1891916839 UFUHJEGGRUTGLQ-VXKWHMMOSA-N 442.585 1.931 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(C#N)cc1 1892001014 SZNVUCZQJHRGPN-LZQZEXGQSA-N 435.571 1.503 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1892072992 LANTWVUIRZOFAT-INIZCTEOSA-N 436.541 1.774 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc(I)n[nH]1 1985073296 PIJJNZVQZZNTKH-JTQLQIEISA-N 430.246 1.748 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060620454 AMQJDJLMBRKNOO-CQSZACIVSA-N 436.318 1.644 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2124513855 DBTAQAGHXAOJRW-HUUCEWRRSA-N 448.329 1.787 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247773625 MDRMWWPVBQINNZ-GJZGRUSLSA-N 438.355 1.757 30 10 IDEE Cc1sc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247923331 WWLUIXJEGUSDGF-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248414185 GBSCIMZDPJVRHR-NSHDSACASA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248433782 QDHDMGSERAODMH-XCJKDKRRSA-N 436.343 1.501 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255603889 BBYIYXWHWSNVQK-STQMWFEESA-N 435.334 1.100 30 10 IDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255823509 VOAQYSGHPWRVRY-UHFFFAOYSA-N 426.326 1.450 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255827571 KQWNLGYYSVGNAQ-UKRRQHHQSA-N 432.330 1.790 30 10 IDEE C[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267117331 DLFSFSZYHCRWHB-QGZVFWFLSA-N 439.369 1.851 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2267187305 WFOVGGNMGUPUTH-KDURUIRLSA-N 436.365 1.923 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267522720 VYTSDXDZABFYBD-WCQYABFASA-N 444.263 1.248 30 10 IDEE C[C@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1nscc1B1OC(C)(C)C(C)(C)O1 2277960945 NTUSBKLYLRYIPP-NSHDSACASA-N 430.357 1.328 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)c(F)c2)OC1(C)C 2282325909 LIGDNMBAJPPFKK-HNNXBMFYSA-N 427.303 1.651 30 10 IDEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 2296608939 MYYBTPHYULJDBX-FQEVSTJZSA-N 441.459 1.983 30 10 IDEE C#CC1(N(C)C)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2370146342 FAZDCGXOVNYRPF-HXUWFJFHSA-N 435.521 1.370 30 10 IDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1cccc([N+](=O)[O-])c1)n2C[C@H](O)c1ccccc1 33615171 XTCWTEIHHIPWMK-RSFOSLOZSA-N 449.427 1.511 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCC(CN(C)C)CC2)cc1 441778098 RNSMQODIZMLXNQ-UHFFFAOYSA-N 436.578 1.668 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cn1 462089527 ARWWRXWIYIBYKE-UHFFFAOYSA-N 436.520 1.691 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475563081 PWMAXDIZZZKGHK-UHFFFAOYSA-N 428.449 1.870 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@]3(CCO)CCOC3)nnc12 475823002 YUIJYVSZXKEFGH-OAQYLSRUSA-N 443.529 1.228 30 10 IDEE CS(=O)(=O)N1CCC(CS(=O)(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 480770608 PCUUJAGOXMHLRN-UHFFFAOYSA-N 438.493 1.648 30 10 IDEE N#CCCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)n1 484675790 FUWGQVMSYMYHMY-UHFFFAOYSA-N 445.321 1.842 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCN(CC)CC)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 503472950 MISLQBXMHIJZEC-QGZVFWFLSA-N 447.557 1.440 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 508826375 IFTVSZWCTMIRAH-MRXNPFEDSA-N 425.555 1.337 30 10 IDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508910512 CXIUBDJHBFDUCI-FQEVSTJZSA-N 438.532 1.121 30 10 IDEE Cc1nccc(N2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)n1 546816068 OXVIZFMDSGXXHY-GOSISDBHSA-N 433.472 1.211 30 10 IDEE Cc1cc(Cn2nnc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)c2C)on1 549963052 AMRMVSAJPLNFCH-QGZVFWFLSA-N 437.485 1.957 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 559003313 AJPABWHVAWUSTP-AQNXPRMDSA-N 446.596 1.569 30 10 IDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CC1 566980464 SANONLNNUYWRGZ-HXUWFJFHSA-N 441.551 1.926 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603991063 SYRCZNRLRRYQNL-UHFFFAOYSA-N 443.528 1.924 30 10 IDEE COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)c1 609801911 TVZZQDQKKDBKED-UHFFFAOYSA-N 427.479 1.101 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)c1 611081027 QDJUULNQSXMJSC-FQEVSTJZSA-N 438.513 1.592 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)cn1 730145206 XWVHCRRBUABBRE-INIZCTEOSA-N 433.538 1.399 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665137 XXFHBTDHGLXZFT-PKOBYXMFSA-N 436.603 1.594 30 10 IDEE Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706096 FFPNMJDFWZUVTN-OAHLLOKOSA-N 437.422 1.424 30 10 IDEE Cc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1I 732909536 CALYOJXREFVLJG-LBPRGKRZSA-N 446.266 1.179 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 734293803 NYPXYJDRKJOCCL-AWEZNQCLSA-N 439.540 1.586 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2[C@H]3CCCC[C@H]23)CC1 750916501 PKGANZLTLQNSRX-IRXDYDNUSA-N 431.514 1.371 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=S)NCCN3CCOCC3)c(C#N)c2N)cc1 751903195 PBODJRZVWQLMDT-UHFFFAOYSA-N 427.578 1.364 30 10 IDEE COC(=O)c1cccc(COC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1C#N 756188352 WUAUEMHDBTUTQM-NRFANRHFSA-N 447.447 1.864 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c1 765349056 AXBLGZQPXXIVMX-UHFFFAOYSA-N 447.538 1.068 30 10 IDEE C[C@H](NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 772981026 ASDOESVHWQDFDB-ANNUQZOISA-N 444.513 1.935 30 10 IDEE C#CCN(C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@@H]1CCS(=O)(=O)C1 774028519 KQZQGQQKPHETAC-CQSZACIVSA-N 429.495 1.020 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 780853792 CTFBDBAFFOKDFE-SFHVURJKSA-N 443.510 1.129 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CC(=O)OC)c2cccc(F)c2)cc1 789889826 NNPRMFHTAMAMDU-NRFANRHFSA-N 432.473 1.946 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 808463985 GAUZOQHQYQUOKM-DEOSSOPVSA-N 432.480 1.927 30 10 IDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)nn1 811088770 UGMALFUXAAVSMZ-WOJBJXKFSA-N 429.452 1.835 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2csc(C)n2)c1=O 838225208 WABURDKJMNTYOO-UHFFFAOYSA-N 441.534 1.716 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)CC1 917075847 WUYFBSQADJBIAG-UHFFFAOYSA-N 438.576 1.335 30 10 IDEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc1OC 1084048532 CINLHJKGBAYJJC-UHFFFAOYSA-N 444.521 1.452 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1 1127456569 HREXHLVSVUVVMS-BZUAXINKSA-N 439.509 1.917 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)c2C#N)C1 1131403303 LIOLTFDFUDKSBQ-QKVFXAPYSA-N 443.529 1.964 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCOC1 1136040937 JFNFCFCYRGEULY-JOCHJYFZSA-N 429.521 1.923 30 10 IDEE C#CCSCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1136873490 RRKQTUGPXKXXBP-GOSISDBHSA-N 438.615 2.000 30 10 IDEE C#CCN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)[C@H]1CCS(=O)(=O)C1 1142047152 ZEVQDCSWTBUHDH-LBPRGKRZSA-N 438.849 1.402 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](Cc2ccccc2)C(N)=O)C1 1142331602 GKMJOEBJTAGYGT-QGZVFWFLSA-N 427.302 1.970 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccnc1-n1cc(Br)cn1 1144429502 VZFJDDAPFUKZJK-VKAVYKQESA-N 431.250 1.286 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 1177759208 LZMSAYVIGNYWOS-UZLBHIALSA-N 447.333 1.430 30 10 IDEE Cc1cc(C)cc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1179650756 IJYIXCXUJSIYFT-OXJNMPFZSA-N 430.555 1.978 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1185624646 IOCJJMULGRTVBJ-UHFFFAOYSA-N 436.534 1.336 30 10 IDEE C=CC[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OCC 1189086506 BDBANUZMJQOCSE-ROUUACIJSA-N 440.518 1.451 30 10 IDEE COc1ccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1S(C)(=O)=O 1219139058 AIMYAAVXVZNNLE-JSGCOSHPSA-N 438.506 1.979 30 10 IDEE C=CCc1cc(CNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc(OC)c1OC 1221553751 QDOMHELDYCRISA-UHFFFAOYSA-N 433.552 1.289 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1286324447 PUMKRPJSZGJNNC-RTWAWAEBSA-N 436.560 1.934 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC 1286406414 YCSDQXOBQBVJNU-UHFFFAOYSA-N 436.335 1.330 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286426425 VLFCOKXGJYWZCM-DLBZAZTESA-N 428.537 1.948 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286565892 QFNWJQPSLFIZMM-UGKGYDQZSA-N 430.597 1.858 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1286673535 YEKYYNJIVMDHHO-HOTGVXAUSA-N 427.571 1.438 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286679699 AKEVZFCROCUBRJ-KRWDZBQOSA-N 438.598 1.777 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286690532 RXRMBBAUHFQLNX-QZTJIDSGSA-N 432.569 1.848 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286715559 ZXUPZTRSBOHTJO-QFBILLFUSA-N 448.593 1.125 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286787944 MSDQWEYMEIEYBC-LSDHHAIUSA-N 443.520 1.354 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286788888 JOPIPSVVJIEDHM-HTAPYJJXSA-N 426.521 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1C(C)(C)C 1286825191 NALPAQZBPXERLW-ZWKOTPCHSA-N 439.626 1.723 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C1 1286858224 FICWVXIHOVNUOH-RDJZCZTQSA-N 429.912 1.981 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1288253462 KYMHRBFABUYTDW-UHFFFAOYSA-N 434.504 1.500 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1296663228 HTTAUMWRMQGOPD-XMSQKQJNSA-N 440.504 1.067 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)Cc1cccc(F)c1 1300455659 OCJSRAGDIXMESG-UHFFFAOYSA-N 438.463 1.573 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1300499521 TUSLGVFAXYUTDX-NSHDSACASA-N 433.481 1.991 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(C)COCCO2)CC1 1300729323 VRPOVXSLLKCRQD-HSZRJFAPSA-N 429.565 1.782 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1301423936 DVGLSBOCBXUVML-MRXNPFEDSA-N 437.591 1.984 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1301494365 LRYRIJVUPHPSHG-JTHBVZDNSA-N 431.540 1.844 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 1304218634 ONZIIVPFXWSSTG-HUMVNOLHSA-N 447.557 1.844 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)cc1 1305327645 UNNSDPTUADYWBZ-OAQYLSRUSA-N 426.498 1.129 30 10 IDEE C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccc(Cl)cc1 1307379230 VVLCKQXVZADPJZ-ZDUSSCGKSA-N 446.891 1.754 30 10 IDEE N#C[C@H]1CN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 1313403178 VAXBABBDLLAVGX-FQEVSTJZSA-N 441.557 1.686 30 10 IDEE CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1315045826 VIAUBJWUFWGILC-UHOSZYNNSA-N 426.521 1.882 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1358872284 RXJSMSJPTHFBLJ-IRXDYDNUSA-N 430.578 1.799 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N(C)C 1358876038 AUTHIAGPAPAFMD-CYBMUJFWSA-N 427.477 1.896 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1358889812 HCIATBKJCIDMBL-DLBZAZTESA-N 439.582 1.418 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(COC)CCOCC1 1358941322 FQEIWRBBUSGRGY-UHFFFAOYSA-N 432.546 1.861 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1358959077 BBDNXKJJSKQBNW-QGZVFWFLSA-N 425.518 1.241 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1358966176 JEPOMBSWPZVBFQ-SOKVYYICSA-N 426.608 1.406 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1ncn(C)n1 1359020364 AEZVYVCJKVFAMH-UHFFFAOYSA-N 430.310 1.970 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)CCOC)CC1 1359032571 SXHPEZDOAFAQQR-UHFFFAOYSA-N 449.563 1.739 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCN(CCN(C)C)CC2)CC1 1359032685 YQTWMUQCFYYKMB-UHFFFAOYSA-N 439.608 1.875 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CC)CCC2)CC1 1359046688 BLOQJSGIRTUCPP-UHFFFAOYSA-N 426.565 1.947 30 10 IDEE C=C(C)COCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1359136717 STRQYLDNXGXFKQ-MZKRTTBSSA-N 449.596 1.680 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359182335 BZRDBBOVKVJMEV-GOSISDBHSA-N 444.580 1.944 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)cc1F 1359292698 WAUFTGOPTXJWPF-LBPRGKRZSA-N 442.492 1.105 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359336033 BVLSLWHCLOXONH-IBGZPJMESA-N 448.637 1.982 30 10 IDEE CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccn1 1359596200 DIQLQRHCYPQFAA-CVEARBPZSA-N 430.534 1.282 30 10 IDEE Cn1cc(C(=O)Oc2c(Br)cc(C#N)cc2Br)c(=O)n(C)c1=O 1437081782 KIRCZUSBKOJHMA-UHFFFAOYSA-N 443.051 1.700 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(C)c2)ccc1F 1437969089 IQFYZJAHBHNJND-IBGZPJMESA-N 431.489 1.912 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C#N 1457567313 HCEQZWMTXLESCN-CYBMUJFWSA-N 425.880 1.950 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCO[C@H]2CCCc3ccccc32)CC1 1468856959 GUCPPFWRZFQTMW-FQEVSTJZSA-N 434.562 1.266 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 1471451742 XOQBCRXPOCYBGE-UHFFFAOYSA-N 441.513 1.556 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@@H]2C)c1 1471931923 SSOWNBSCOFQOCK-HNNXBMFYSA-N 429.498 1.901 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)nc1 1473748095 PLPFATAIBWYEKQ-QFIPXVFZSA-N 440.525 1.230 30 10 IDEE CN(CCN1CC2(CCOCC2)C1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478420660 CEKWUNDYVCIMLA-HXUWFJFHSA-N 425.533 1.807 30 10 IDEE CC1(C#N)CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1479290926 GXRYDNMXXLWVOP-HNNXBMFYSA-N 428.555 1.746 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)nn1C 1503248213 HXFAOIWJHZONCP-UHFFFAOYSA-N 427.534 1.778 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1503289048 BIWWRROGGUISPC-ZVTLBMPISA-N 426.546 1.548 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1507519407 ZXGCHROXHSZGLJ-SOUVJXGZSA-N 442.586 1.602 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1507533598 LUIZIPXFYPZOMX-IRFCIJBXSA-N 435.576 1.898 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507554450 RXFDKXAPSVPGKW-UHFFFAOYSA-N 441.536 1.915 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CCOC)c1 1507606787 XBQWQKRGOSJWDU-UHFFFAOYSA-N 428.518 1.309 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1507633515 GSLXPVMKFWTAGO-LJQANCHMSA-N 441.557 1.106 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507635008 RUQFLRMJOIXTAH-KRWDZBQOSA-N 443.504 1.979 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1507710265 DZLBPPRCHBNEHH-PMACEKPBSA-N 445.589 1.569 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1507792080 WHJVQDJIAUVSHE-ROUUACIJSA-N 446.552 1.774 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507803831 HIMPDQZWAUNQIA-CTNGQTDRSA-N 446.596 1.364 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1507812115 ISQVUKHVXSYPEI-AWEZNQCLSA-N 435.616 1.504 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507973283 YBYIKMRTZWYFTR-SFHVURJKSA-N 428.461 1.718 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1508093799 WHRFIJLWQRLGOP-FQEVSTJZSA-N 435.532 1.965 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(N)=O)cc2)C1 1508108917 NXVVDOXVZFQWEW-GOSISDBHSA-N 439.520 1.834 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1508137262 YGRSVPPWGKPIIM-KRWDZBQOSA-N 431.562 1.946 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(CC#N)n3)ccc2F)CC1 1533430318 LUBNPYAXIIOCDG-UHFFFAOYSA-N 445.476 1.392 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(OC)CCOC1 1539001779 JQHFHUAOVYUZJS-YWZLYKJASA-N 432.550 1.502 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539636197 JTFJTTNJHQCGRQ-IEBWSBKVSA-N 430.553 1.093 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1539953360 QMXOWFQJGPVCRX-KRWDZBQOSA-N 440.614 1.939 30 10 IDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539991086 DRXKBBPROFBKGB-SFHVURJKSA-N 446.577 1.937 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540013499 QOFMSTWWSVKISL-UHFFFAOYSA-N 438.536 1.187 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1540071364 FHCNLMWFYFVDEG-IBGZPJMESA-N 448.593 1.656 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1540084088 NBAOLTTWUXFEJO-IBGZPJMESA-N 428.585 1.705 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@@H]1C 1540862496 CJJKOUBXAGMUSM-CABCVRRESA-N 432.550 1.314 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540868158 UJNYARDOIGWDKT-QHCPKHFHSA-N 440.548 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540902547 LWYNLIHPRKUQQH-ARFHVFGLSA-N 448.611 1.031 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@@]1(OCC)CCOC1 1540908725 MLTHGQYJFHBYPD-VQTJNVASSA-N 442.582 1.536 30 10 IDEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540911865 FHZYIANHKODONL-MRXNPFEDSA-N 442.545 1.020 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1541116126 JZPCLLMMAOGLPT-RRFJBIMHSA-N 440.570 1.689 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1541698171 AXESIOAYDPUYHS-UHFFFAOYSA-N 433.520 1.849 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1546315993 ACCZDWXEQNITSA-GCJKJVERSA-N 427.505 1.954 30 10 IDEE COC(OC)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1554673975 OCHOCWOBBOOSPD-SFHVURJKSA-N 440.504 1.583 30 10 IDEE C=CCCC[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1558384500 ZSEJHUBECQHGKH-HZPDHXFCSA-N 425.526 1.906 30 10 IDEE COC(=O)[C@H]1C[C@@H](O)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1559969530 IDGWQNOAQSPDJH-MAUKXSAKSA-N 428.464 1.899 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2cnc3c(Cl)cnn3c2)ccc1F 1583970529 XNWLMKLHXIHQDY-UHFFFAOYSA-N 437.884 1.959 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4cnccc4C#N)CC3)[C@@H]2C1 1587620353 RSVMSENUXKSGDR-MSOLQXFVSA-N 441.488 1.998 30 10 IDEE C#CCN(c1nnc(CC)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1588058822 CZXMDJFUHCLTKX-HNNXBMFYSA-N 433.509 1.036 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(O)CC(OCC)C2)CC1 1588913551 MQTAUDFQCMEAPJ-UHFFFAOYSA-N 438.532 1.236 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(CC)C(C)C)CC1 1588955327 VPDMPUASKJYABG-UHFFFAOYSA-N 437.592 1.960 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589513786 BSQVSPYXKAWEJC-NQIIRXRSSA-N 441.580 1.901 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589528228 DQYGTVVARBACIY-QZTJIDSGSA-N 430.553 1.310 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCS(C)(=O)=O 1589615378 PTCNUJXJXBBOGF-UHFFFAOYSA-N 430.538 1.758 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1)C1CC1 1595054494 KHRURWSCVOAKFB-KRWDZBQOSA-N 429.546 1.743 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(OC)CC1 1595538087 ZBDAXNLBZDFFEE-OAQYLSRUSA-N 430.509 1.703 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1595721299 DDFGHVWFSJQAOP-ZCNNSNEGSA-N 446.596 1.506 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595766663 VNEIJECCTOJDKD-OAQYLSRUSA-N 445.545 1.413 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1611658423 CUWCJRZIPAPNJZ-LSDHHAIUSA-N 433.538 1.655 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CSCCS1 1611686158 BFTXQSJZKVWLSM-HUBLWGQQSA-N 434.588 1.179 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNC(=O)C(C)C)cs1 1612410688 PLMLFAAUHVCCPS-GOSISDBHSA-N 442.593 1.583 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)CC1 1615878580 ADWNUMVLBYMTLP-GOSISDBHSA-N 430.601 1.430 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1617622343 CKNPLFDTXKAZRM-QHCPKHFHSA-N 437.548 1.596 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1619912347 ACWHGQCXMNWMRG-IAGOWNOFSA-N 447.565 1.321 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCOC1 1620032969 QFWADQCNUZXBCZ-USKVXJDGSA-N 441.532 1.897 30 10 IDEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(N)=O 1634601108 JZPSALQRLFKJFS-SFTDATJTSA-N 437.496 1.822 30 10 IDEE Cc1c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)cnn1CCC#N 1639686870 JFFNYDLASZUCRT-ZWKOTPCHSA-N 427.509 1.972 30 10 IDEE C[C@H]1C(=O)Nc2ccccc2CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1641270445 FHKJMIOQPBJSTH-AWEZNQCLSA-N 426.498 1.875 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 1644595820 DRFVWEXWJLLWHG-UHFFFAOYSA-N 438.550 1.231 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@H](CC(N)=O)C1 1648326589 BXCURGZIVYSBSH-GFCCVEGCSA-N 426.267 1.201 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCn3cc(-c4ccccc4)nn3)C2=O)cc1 1648887862 HKCIGNSXQDNYLF-IBGZPJMESA-N 443.467 1.838 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)nn1 1656353573 VFCJRHFBJHFFHV-UHFFFAOYSA-N 449.352 1.499 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1665728373 WSIHQEWQFARZSZ-NRFANRHFSA-N 449.573 1.383 30 10 IDEE N#Cc1sc(NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc1Cl 1678315362 DTTLTVQASRRNSP-UHFFFAOYSA-N 426.911 1.670 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1ccc(Br)cn1 1683959459 KHGXASJMKBGGFK-QGZVFWFLSA-N 446.305 1.821 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC4(CCOCC4)CO3)CC2)cc1 1684667654 KDCJZCKZBSALHC-SFHVURJKSA-N 448.545 1.160 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1cncn1 1689847504 AYRKBMYMMMXMTA-INIZCTEOSA-N 431.504 1.815 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689998790 WQLYTOPKCMZMCB-SLFFLAALSA-N 449.621 1.877 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N2CCOCC2)CCSC1 1690057699 FVSXJTMDNKQMJF-JOCHJYFZSA-N 448.637 1.864 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1690128397 COMLCKFZMHWINU-SFHVURJKSA-N 443.573 1.067 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690154730 XYQGZCAVDXPZGY-HNNXBMFYSA-N 446.581 1.357 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](COCC)C1 1690665544 HMKJTPYTUQMGQL-INIZCTEOSA-N 437.508 1.086 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/CC)C1 1690699554 GRBBYJBXTFHXAL-KGVXHEBISA-N 425.555 1.359 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1690723220 LHKXRBKBXWUBCY-UHFFFAOYSA-N 446.533 1.991 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690731803 QJQSOHAKOVICBR-DOTOQJQBSA-N 437.566 1.225 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1696477601 FALNCMLGQPOBDV-IBGZPJMESA-N 447.561 1.882 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cnccn3)n1CCSCCCO)C2 1698486296 VZWKBIOSJATHQY-UHFFFAOYSA-N 438.517 1.386 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705538732 YYOKSGIKZHWXIJ-INIZCTEOSA-N 441.561 1.723 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CSC)cc1 1705552434 YPRCARMRHUTNQX-SFHVURJKSA-N 449.602 1.592 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705568645 SKSZFOUVUZTALZ-AEFFLSMTSA-N 448.520 1.659 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705569232 FFFSBOZXZDVWPL-OALUTQOASA-N 436.578 1.443 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705658469 QLYIFEKPVLTLCT-UHFFFAOYSA-N 433.545 1.638 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1705667549 VUPZZNQIZKYHBE-YCRPNKLZSA-N 444.561 1.887 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1705679178 DRGMKPHQUNDMQB-UHFFFAOYSA-N 435.330 1.442 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705741327 MRDZLYQYWUFOCL-VQTJNVASSA-N 446.596 1.855 30 10 IDEE C=CCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705893583 NMRIIVVQAVJTLU-JOCHJYFZSA-N 429.569 1.951 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1705922718 RGDCPZSUERTIKO-BZUAXINKSA-N 442.486 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705935433 RICTXOQXNQEKCR-UHFFFAOYSA-N 427.571 1.746 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccco1 1706162223 UTWRINBVWJMJBK-DLBZAZTESA-N 444.492 1.957 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1706746616 CNSHDEKTODERED-RHSMWYFYSA-N 436.513 1.537 30 10 IDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)C(C)C 1710149536 CEAOSFQVSLBMOA-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1711289726 HWCLHUZZUFWJGB-UHFFFAOYSA-N 448.531 1.704 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)OC 1712557422 QXRXHXDBBLXATL-IRXDYDNUSA-N 429.525 1.630 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722355196 GTTOHZBNLVKTDH-SFHVURJKSA-N 431.562 1.825 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722361123 LDRXDNXOPPTJKC-UONOGXRCSA-N 425.461 1.324 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1722369178 ZHDSQYWICRLIPP-ZWKOTPCHSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1722397527 KVPVTZXMKVDVRO-KRWDZBQOSA-N 431.500 1.636 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722501336 OQEVFTMBGGLVEN-BZDHPDOMSA-N 433.553 1.613 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722619393 AXGOHWFOXWSNND-UHFFFAOYSA-N 438.598 1.617 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1722703585 CFDPNWRECJFYCI-OAHLLOKOSA-N 428.518 1.610 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1722727842 OUFPPOGFXXRNHY-KRWDZBQOSA-N 442.549 1.682 30 10 IDEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1 1723815871 BUPKOFYNECYHJQ-BFYDXBDKSA-N 434.522 1.085 30 10 IDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1)OC 1727251950 CQAIPIDAJLRJMN-IBGZPJMESA-N 426.521 1.973 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCSCCCO)cc1 1731184911 XNPUWJCEGMOLOO-IBGZPJMESA-N 428.562 1.453 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1740553418 RYCFEVIERRQRJG-IEBWSBKVSA-N 447.561 1.456 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1740702130 WNSUVKHIBCZJRU-UHFFFAOYSA-N 442.527 1.988 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)NC(C)C)CC1 1740707376 ZRNYJLIJYJXPNE-UHFFFAOYSA-N 437.548 1.144 30 10 IDEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1)c1ccccc1 1740853828 APQRVLPMUOEWET-RBUKOAKNSA-N 443.573 1.866 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1740892541 IMBKDDOTMXEIGJ-FQEVSTJZSA-N 435.550 1.443 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H](C)OC)CCOC1 1746728971 QCLXMLUTDNHBSK-VGOFRKELSA-N 441.536 1.558 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccs1 1748842911 WCXUSGFQDFSRHD-UHFFFAOYSA-N 429.509 1.964 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccncc2Cl)CC1 1749009368 PTLWDSHXNRFBOJ-UHFFFAOYSA-N 436.907 1.798 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749047438 WGFPJNRLTJLPTR-LJQANCHMSA-N 447.536 1.704 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1749097243 QPHUMUNTBLPHAI-IAGOWNOFSA-N 429.477 1.400 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749669084 HKCZMXSERSLPRJ-MRXNPFEDSA-N 445.593 1.425 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1749718279 UUAIUYQRADWRKD-IRXDYDNUSA-N 437.566 1.007 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1749743996 CWKZHCDCORROSP-JYJNAYRXSA-N 430.644 1.726 30 10 IDEE COCCN(C)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1749778198 DHRIILUMKYAGKV-OAQYLSRUSA-N 448.531 1.763 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1750068768 FNYDXNFQMLDZLI-HNNXBMFYSA-N 429.525 1.448 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccco2)CCO1 1750385902 CTGOVZHFPKQRRE-CQSZACIVSA-N 427.852 1.745 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1 1760174450 GFNYHAMWBSSVAJ-PKOBYXMFSA-N 447.561 1.456 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1760190840 VAKNQXHCOJHNRB-HSALFYBXSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1760200285 BFEPISNAXWVODG-UHFFFAOYSA-N 429.484 1.062 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(OC)CCOC2)CC1 1760264276 HIQINJIRJJZHCV-QFIPXVFZSA-N 429.496 1.557 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1760273695 ADLLBLIFMIIZJK-NVXWUHKLSA-N 441.623 1.508 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1760296559 SCERGNCQNGDSNW-HXUWFJFHSA-N 429.546 1.196 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1760351215 CBOWRQSPGZOJHC-INIZCTEOSA-N 433.534 1.253 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1760464949 SIOHMDQKMIGMQY-GOSISDBHSA-N 435.550 1.680 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1760505234 OXATXIRRUWMNNH-LJQANCHMSA-N 449.577 1.607 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1760522064 KYRXJTRYPJEINN-RDTXWAMCSA-N 433.459 1.940 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1760789727 JJIOICRYUDUAMS-FQEVSTJZSA-N 435.504 1.871 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCCn2ccnc21 1761473887 VJMFNPWKXDHAGO-WBVHZDCISA-N 446.581 1.792 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1Cc1ccc(C#N)o1 1761476381 MHIKZCZHXORUIJ-KKUMJFAQSA-N 433.538 1.074 30 10 IDEE Cc1nccc(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CC2)n1 1762347190 WDDXPSVJGUIJKA-UHFFFAOYSA-N 435.492 1.354 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766375634 FGAMUNBQRBXKHZ-UHFFFAOYSA-N 445.531 1.407 30 10 IDEE CCOCc1nnc(N2CCc3sccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767863304 FGTWKKDUGBLJQC-HNENSFHCSA-N 428.518 1.965 30 10 IDEE COc1ccncc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769012540 RGCCURSQVZDQGT-UTKZUKDTSA-N 428.493 1.499 30 10 IDEE CN1CCN(CCn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1769076860 BZWWGCIRMKTJKO-NRFANRHFSA-N 437.592 1.818 30 10 IDEE CNC(=O)CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C#N)o1 1769307700 LCMWREGFSUSYJD-UHFFFAOYSA-N 449.519 1.537 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1769503923 VTDQBOCJMCQJMY-HQEVYLJUSA-N 444.536 1.702 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)c1ccc(C#N)cn1 1849008460 JXHBBNZJXJPYNU-UHFFFAOYSA-N 431.440 1.581 30 10 IDEE COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(C#N)nc4)CC3)nn(C)c2=O)cc1 1852742918 TWSYBOMDGRGOEN-UHFFFAOYSA-N 432.484 1.925 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)[C@H]1C 1854258734 MSTKAARXJWSHNA-CXAGYDPISA-N 443.928 1.878 30 10 IDEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861608775 OEXNLFTWXXTTMB-QUCCMNQESA-N 449.507 1.856 30 10 IDEE COc1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862593135 CYYRZMFTNCKFQK-IBGZPJMESA-N 426.425 1.821 30 10 IDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OC 1874336850 DXPSERJMDVPULV-BMZJSHLCSA-N 446.533 1.479 30 10 IDEE CCCc1nnc(SCCO)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874509468 DOVNVKLMZPHQMR-CJLVFECKSA-N 449.577 1.917 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1889947401 YFNMFYOYJWUZGR-IRXDYDNUSA-N 445.501 1.391 30 10 IDEE C=C(Br)CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2244222806 WZEHSUUDZXYGMD-CQSZACIVSA-N 449.323 1.625 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602233 OWRPLELEFPIKMO-KGLIPLIRSA-N 436.318 1.121 30 10 IDEE Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255672726 LFIWDVGKKPCLLF-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE CC1(C)OB(c2cccc(CS(=O)(=O)N(CC(N)=O)Cc3ccccc3)c2)OC1(C)C 2255799117 BXOATRMLSLGFFH-UHFFFAOYSA-N 444.362 1.803 30 10 IDEE COC1(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255816114 ZHVXRCKTNJUAIK-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2255821225 BUHGEHRQQZRNHP-HUUCEWRRSA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255870778 ODLUIQUBWYSBHM-GJZGRUSLSA-N 433.314 1.403 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2260787132 BISPURDKQUOEOV-MYSGNRETSA-N 433.318 1.701 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267195608 LPMIRHKGPATKEG-ZIAGYGMSSA-N 446.357 1.797 30 10 IDEE C[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)N1CC(NC(=O)OC(C)(C)C)C1 2268719044 XRJZVAKMWHIFON-AWEZNQCLSA-N 446.357 1.917 30 10 IDEE CO[C@@H](CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)CNC(=O)OC(C)(C)C 2304807506 GJMVIAUIKZMQNI-ZDUSSCGKSA-N 425.310 1.893 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)C=Cc2cccc(F)c2)C1 2328074889 ZCYQMPTWRUDKLW-XLIONFOSSA-N 435.455 1.941 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(F)c(F)cc1C#CCO 2379819047 ZRRHYYAKLSHTMK-UHFFFAOYSA-N 434.420 1.737 30 10 IDEE N#Cc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1 35425638 HOFFOOTWEJZZOV-UHFFFAOYSA-N 429.440 1.391 30 10 IDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 254481869 QKSFSFXEPGTZJU-DOMZBBRYSA-N 442.515 1.560 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CCC1 431018544 WYUUHHUMXGAVAE-UHFFFAOYSA-N 442.497 1.117 30 10 IDEE CCC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 448056274 LJNIPHQZXUBLMK-UHFFFAOYSA-N 447.538 1.846 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 466108695 RICUISDUMUKFHW-UHFFFAOYSA-N 438.513 1.534 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 472062290 INFCXBUQTKHRFU-UHFFFAOYSA-N 431.522 1.308 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@H]1CCCO1 477313475 FSWUVAHQSOXMQB-QGZVFWFLSA-N 427.501 1.342 30 10 IDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508841075 OMRBLFVLJDOBPF-IBGZPJMESA-N 431.500 1.961 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(CC(F)(F)F)C(=O)C2)c1 510992933 CGNVRMVLMXSVPL-UHFFFAOYSA-N 426.214 1.716 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 516632795 QGVRZYJLSHQBDB-VQIMIIECSA-N 431.489 1.206 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCCSC 517985481 FWKLPLGNQJWVON-UHFFFAOYSA-N 431.583 1.537 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C[C@H](C)C#N)C3CC3)CC2)cc1 533150549 HTIJCSFTTZXLNJ-GOSISDBHSA-N 446.573 1.759 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 541290411 KNZIUNRJOQUMBN-UHFFFAOYSA-N 441.582 1.841 30 10 IDEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCC(=O)N(C)C)CC1 549286885 DFNAQTZUAGTKDT-UHFFFAOYSA-N 426.521 1.850 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccncc2OC)CC1 575808076 GSZPYLNSJLBTEF-INIZCTEOSA-N 432.550 1.487 30 10 IDEE CCN1CCN(C(=O)C(/C=C2\C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673575 IOGNHCZBLLOLMT-WJOMSEQESA-N 447.495 1.799 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#CCN)s1 703977512 FXIZLPKSBWWUBS-UHFFFAOYSA-N 445.566 1.800 30 10 IDEE C#CCN(C(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 729335504 QEDCJNMLIROQJX-QWRGUYRKSA-N 433.349 1.278 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cccc(OC)c3)c2=O)cn1 735067976 BTSOUZWPGAXBEW-UHFFFAOYSA-N 449.536 1.296 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 757202741 XUYNHLLFRGJMNN-SILNSSARSA-N 442.563 1.540 30 10 IDEE Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 770745291 CLVPRXGCBYHXCX-UHFFFAOYSA-N 428.514 1.550 30 10 IDEE C=CCOc1cccnc1C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 775225850 BHULYBNCQORLIY-UHFFFAOYSA-N 449.441 1.795 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 777813954 UGWKUEPWIOWNPM-HXUWFJFHSA-N 425.577 1.777 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 790104617 GQECOHAXQFMBLE-LJQANCHMSA-N 438.484 1.525 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 794646581 ZAHDNGPOJIRTPH-UHFFFAOYSA-N 432.480 1.740 30 10 IDEE CC(C)c1nn(C)cc1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 797393691 UQMZTNSTCMLQQA-JJIBRWJFSA-N 446.533 1.934 30 10 IDEE CC[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 797815373 PUOVXLUQXJICHV-KBRIMQKVSA-N 431.562 1.583 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCO2)CC1 802688137 BANSTPRLCVOXCO-KRWDZBQOSA-N 445.955 1.597 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccs2)CCN1C1CC1 802700748 BDKVYSWMSOFNCC-ZBFHGGJFSA-N 432.575 1.467 30 10 IDEE Cc1ccc(-c2csc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2)s1 806906785 IBQQDJMBICUBTG-PFONDFGASA-N 431.499 1.761 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCN(c3cccc(C#N)n3)CC2)C1 816569403 KGBFOZWZILKAFQ-SFHVURJKSA-N 442.564 1.839 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C(=O)OC)c2cccc(Cl)c2Cl)C1=O 1131390755 FBDMCYOECOWPSC-AWEZNQCLSA-N 442.255 1.643 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N3CCOCC3)c1)C2 1132643237 FEZGZLKPMCGHGA-SFHVURJKSA-N 429.473 1.615 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)cc2C1=O 1152285407 NUAPAAWJSOJLOW-IAGOWNOFSA-N 429.473 1.569 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)c1ncon1 1163868474 ALOKCHWXSVQIHL-KDOFPFPSSA-N 425.470 1.708 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N[C@H](CO)c2ccccc2I)cc1 1180276477 IIDCKEICQSDDSP-MRXNPFEDSA-N 449.248 1.742 30 10 IDEE CS(=O)(=O)c1ccc([C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)CCO2)cc1 1196391577 AAYMZUILKSNJOB-HXUWFJFHSA-N 434.539 1.809 30 10 IDEE COc1c(C)[nH]cc(CN(C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1=O 1196640509 YGTPMZRAYIVVDM-QGZVFWFLSA-N 429.546 1.594 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OCC 1213546774 ROWXTUWAXFSKSF-LBPRGKRZSA-N 425.429 1.493 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3CC(=O)N(CC4CC4)C3)c(C#N)c2N)cc1 1245994344 MGKAQLNKIAWWOI-KRWDZBQOSA-N 435.532 1.877 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286324935 RGXZVHMPJAUPAK-OPAMFIHVSA-N 428.537 1.790 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286395281 ZIRJVNHNZSNJQK-WMLDXEAASA-N 437.591 1.543 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCCCC2)CC1 1286485840 AHKOXIQRPXGZIW-UHFFFAOYSA-N 428.581 1.944 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286830733 PQTMVAYKDYGMDD-INIZCTEOSA-N 441.561 1.506 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1286959387 GETHVZGZNOBFTR-FHLIZLRMSA-N 446.939 1.997 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1288310831 BJSPZKHFLZLYIR-PMACEKPBSA-N 440.495 1.830 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN([C@H]3CCOC3)C2)cc1 1291833288 YAIHMHRLPQGRRI-FKNXBIFSSA-N 434.562 1.939 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C[C@@H]1C 1296009127 DRVHLJHYJBMZIV-DLBZAZTESA-N 425.537 1.784 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc(COC)no2)CC1 1296525491 ZTEHWHUYXHAFGL-AWEZNQCLSA-N 443.932 1.896 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300491990 KOMHPSFMYGZDNK-WBVHZDCISA-N 447.948 1.558 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1300496925 WLCVFYQWXKBWCK-RDJZCZTQSA-N 449.602 1.670 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](c1cccs1)N1CCOCC1 1300529352 JKLZNNCFISXPLV-IBGZPJMESA-N 433.541 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C1CC1)N(C)C 1300569203 GDOZHGIKNIQJCS-OAQYLSRUSA-N 429.532 1.724 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1300652659 CUCGFVYGKUAHTP-HTAPYJJXSA-N 433.553 1.319 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCS2)CC1 1300708609 WLJVJLOGOMEFJT-INIZCTEOSA-N 430.603 1.920 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301041469 LPZUMHCMNGBZHC-INIZCTEOSA-N 436.944 1.196 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1301281162 FCMIPVWDTUVDKS-UHFFFAOYSA-N 437.591 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1301569200 SPWZKPRBAKEOHC-UHFFFAOYSA-N 431.562 1.928 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1302948192 AEEWGULEJXASII-GOSISDBHSA-N 436.564 1.985 30 10 IDEE CCOC(=O)C1([C@@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOCC1 1308122445 URAAGDMBUYHIBA-QZTJIDSGSA-N 448.589 1.795 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1314095998 UZQRYBGPTLQPRS-OGLOHFSISA-N 430.509 1.303 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)c1 1358018256 LHCSYBFMTGOWHA-UHFFFAOYSA-N 434.514 1.259 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N(C)C 1358872632 WWCIEOIZJHAJLH-FRQCXROJSA-N 448.593 1.658 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1358876353 HZKWQKZVHWTRNM-HYVNUMGLSA-N 430.505 1.969 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1358911394 SSMKRNMBMVWBDP-UHFFFAOYSA-N 449.515 1.692 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1358927126 OAAUXJXBXUAAFR-INIZCTEOSA-N 433.516 1.568 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1358960906 OAKLDPUZCAPCBH-APWZRJJASA-N 434.591 1.591 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)NC(=O)OC(C)(C)C 1358984473 XAFDJPUNCQZYQD-SQNIBIBYSA-N 431.537 1.988 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)C1CC1 1359023835 YAVGWAIGOONYBT-IBGZPJMESA-N 436.516 1.703 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(O)CC(OCC)C2)CC1 1359043359 RBCGOLINKVEJFV-UHFFFAOYSA-N 437.544 1.841 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC=CCO2)CC1 1359046136 GICZDIPZZUNNPL-IBGZPJMESA-N 440.573 1.945 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](F)COC)CC1 1359046995 NDVXLCMSVIOYLO-GOSISDBHSA-N 431.516 1.090 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359097684 SAUZCNDJJMETJV-IEBWSBKVSA-N 446.577 1.839 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCS(C)(=O)=O)CC1 1359172663 DHMSBPFZSDAXPC-UHFFFAOYSA-N 448.549 1.389 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359300664 HWALABOYIQGISP-UHFFFAOYSA-N 445.612 1.303 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1360475715 CVYQHPDHPZVSCB-WMLDXEAASA-N 425.493 1.493 30 10 IDEE Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1361247183 SNEBJYPHPNHTPS-HTXNQAPBSA-N 441.492 1.481 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1440640850 SNCWBESPSDYPKK-SJORKVTESA-N 442.582 1.295 30 10 IDEE C=C(CN(C)C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451442467 GNYXTSXHQRRZJQ-MSOLQXFVSA-N 435.569 1.498 30 10 IDEE COc1ccccc1N1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1457119165 DZQCBIRHCSYLNX-UHFFFAOYSA-N 442.541 1.863 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OCC 1464260561 VNSANOAVLDVNOH-ZDUSSCGKSA-N 433.866 1.612 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)CC1 1465351668 XKVSUKMXLALRLC-UHFFFAOYSA-N 428.898 1.134 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc4nc(O)n(CCN(C)C)c4c3)CC2)c1C#N 1466921977 RZLXAHAYOSDAKC-UHFFFAOYSA-N 436.520 1.180 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1496474234 AQUHVTDUVHDYRO-ROUUACIJSA-N 432.550 1.440 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1503283793 XTESQMQFAPKTEK-QAPCUYQASA-N 432.550 1.617 30 10 IDEE COC1CCN(C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1504491565 HKLADADLHMALDJ-FQEVSTJZSA-N 439.564 1.882 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1504853442 CGCLEWBAJKUVTD-SFHVURJKSA-N 432.550 1.018 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1505129163 AZWZJJBBUYAJFH-LJQANCHMSA-N 428.562 1.926 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOCC)CC1 1507580766 KOQIDEVPWMEACW-UHFFFAOYSA-N 435.536 1.493 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1507592009 QYASJEUBTHTXEO-QGZVFWFLSA-N 427.578 1.984 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1507630286 WBVDMHBNTIYCOE-INIZCTEOSA-N 435.575 1.082 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635804 VRXXRHCSURDFHE-GOSISDBHSA-N 433.578 1.164 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507791827 SORBSOJWLAKJFM-HBXLWWENSA-N 444.580 1.893 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1508071820 MQMXBFUFLUEFLF-UHFFFAOYSA-N 430.431 1.066 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1508133630 KZTJLFKJPWNWBT-LSDHHAIUSA-N 444.579 1.705 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1508145133 XTHDYFDRBDBAHD-LJQANCHMSA-N 446.577 1.217 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1508399207 BSFZEPBAXFWGRI-FQEVSTJZSA-N 437.548 1.897 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1ccc(C#N)o1 1509211488 ADBKYJCGMVOEQJ-UHFFFAOYSA-N 434.504 1.810 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513068511 URBFFSGDWONPQT-KKEDAOPRSA-N 443.508 1.349 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1C 1515812336 FJFHVNKYLLPHFV-HOTGVXAUSA-N 431.566 1.285 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1519437882 UVZHCHAJFFTYLL-NPPFBWRTSA-N 449.575 1.470 30 10 IDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CCCOC1 1521826170 MCPXZJIAJDHXTE-QGZVFWFLSA-N 442.335 1.602 30 10 IDEE C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C(=O)N1c1cnn(C)c1 1531488319 ADUMDSGLGRZXOT-IAISJRAMSA-N 440.891 1.608 30 10 IDEE C#CCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1539139604 GJSREBSWCOMKER-QFIPXVFZSA-N 441.536 1.469 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1539245027 AJHXJTMTHYOHRJ-UHFFFAOYSA-N 442.541 1.353 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1539263370 GEAFHZRIMPEESG-IBGZPJMESA-N 442.564 1.992 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC(F)(F)F 1539284055 FYRXYYFCTXNYAJ-GDBMZVCRSA-N 425.455 1.948 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccco2)CC1 1539428645 VHIXFRVQVWIVSB-JOCHJYFZSA-N 435.488 1.181 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1539759682 KNAZWWLDDZHHRR-ROUUACIJSA-N 437.541 1.873 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539962820 DIYILGOIGNVXFU-ROUUACIJSA-N 429.569 1.328 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CCCO)c3ccccc3)CC2)cc1 1540647940 OPDDBZURAOSUJD-OAQYLSRUSA-N 427.526 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540903128 ZACZTKJTBDHYPX-CVEARBPZSA-N 446.595 1.134 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1541111177 GMEOIBCWGOKNQT-OAHLLOKOSA-N 442.545 1.962 30 10 IDEE COC[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1555241456 IDOKPCCPOKIHKC-KRWDZBQOSA-N 438.536 1.276 30 10 IDEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)O 1555556581 DPEGZDGNTYLZEO-UHFFFAOYSA-N 425.493 1.329 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C#N)CO)c1ccccc1I 1556607501 KWXTWGXIHCFUMJ-MFKMUULPSA-N 445.257 1.858 30 10 IDEE CS(=O)(=O)C[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556808192 BNZVGHHBXHSIJA-WBVHZDCISA-N 432.502 1.046 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643518 XUNHTPZCMFJGSY-HZVDNRATSA-N 425.551 1.857 30 10 IDEE Cc1c(S(=O)(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)sc2ccc(C#N)cc12 1561597795 CFLZZONOJVZFTJ-UHFFFAOYSA-N 447.585 1.513 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(F)cc(Br)cc2F)CC1 1562430027 JZFSQQZGVRWMNM-UHFFFAOYSA-N 437.266 1.344 30 10 IDEE CN1CCN(C(C)(C)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1565606820 IINLYHJJVFEECV-UHFFFAOYSA-N 434.382 1.899 30 10 IDEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1565629664 FOTMUJPUKFYTKB-SJKAGUJJSA-N 427.486 1.600 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)O1 1585534049 HJIQIAGNOFRQMI-ZACQAIPSSA-N 436.306 1.879 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1587808140 NMEHPEZJEICLLU-OAHLLOKOSA-N 427.596 1.404 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1588051147 ZWEFESQORDEYHC-XGHQBKJUSA-N 444.561 1.710 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@H]1C 1595283537 RJFVKPARMJXWNJ-KSFYIVLOSA-N 430.505 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1595475781 FROYZJHZTVPXHU-OAHLLOKOSA-N 446.483 1.748 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595545534 YDUWSNPQBSTDSH-KRWDZBQOSA-N 444.561 1.846 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1617594856 GJOZRFHHNAPICK-LJQANCHMSA-N 437.548 1.454 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCC(=O)N2CCOCC2)CCO1 1620356528 ASNDSDIMWWEIOX-HXUWFJFHSA-N 438.532 1.431 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)ccc1F 1626535298 XJCMSDCMUDSETH-NRFANRHFSA-N 431.489 1.559 30 10 IDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1626963367 ZNIBKGPADUWENJ-FQEVSTJZSA-N 444.513 1.131 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1F 1629556928 DCZWKJFFVWNGHD-QWHCGFSZSA-N 449.460 1.943 30 10 IDEE C=C(C)CCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1635427407 WQXCOLUAYXWCEN-UHFFFAOYSA-N 429.564 1.381 30 10 IDEE COc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1OC 1639963353 WQQGVTXRFKBDME-GOSISDBHSA-N 447.513 1.436 30 10 IDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)OC 1642410312 ABGGSGANEZCMTE-MRXNPFEDSA-N 446.447 1.787 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccccc2Br)CC1 1644285476 PKRLLXBRHWFZBU-UHFFFAOYSA-N 428.352 1.339 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1670845576 RWWMFORBFVLSOM-CYBMUJFWSA-N 448.339 1.796 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 1683195738 MLCKJDIOKNBMHM-UHFFFAOYSA-N 447.486 1.989 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1689986436 PZQISVHQUAWGMQ-IBGZPJMESA-N 442.589 1.841 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(OC)CCOC2)CC1 1690144021 JMVTZQKCYFLKLN-QHCPKHFHSA-N 438.532 1.420 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690170411 ICSTZBOAJAFRLT-KRWDZBQOSA-N 426.546 1.979 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690243837 QCDYQYAUOLVUIE-MGTHKWJCSA-N 430.509 1.020 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)cc(OC)c1 1698255846 WEUGRKIXLYBLDU-IPELMVKDSA-N 431.468 1.927 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H]1O 1698442897 RTHAHRPGAALPDG-QAPCUYQASA-N 433.534 1.371 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)CCO2)c1 1698485519 GMJUSIVDLHIYIG-SJORKVTESA-N 446.458 1.960 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccccc1 1705556244 NYCDYVSJDNKWNY-UHFFFAOYSA-N 427.534 1.188 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(CC)nn(C)c2CC)CC1 1705762852 KEPBBCYNMDZQCX-OAHLLOKOSA-N 435.598 1.951 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1705805543 JNHHOOAUJQUUOG-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1706222371 HQOPABYOHRCTPI-INIZCTEOSA-N 439.520 1.654 30 10 IDEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)N1CCOCC1 1706256712 FJJZOBMIUAQVRJ-PMACEKPBSA-N 437.548 1.485 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1706760097 XXLBRXTVQWNJFQ-SJLPKXTDSA-N 448.531 1.888 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1722287663 PEPAHJLOIANKTF-OAHLLOKOSA-N 437.566 1.921 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(NC(=O)OC(C)(C)C)COC1 1722305738 LLGBNDVFCYOHQA-ULQDDVLXSA-N 449.552 1.754 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722371527 JVNMLAMCLKHDGA-IBGZPJMESA-N 430.578 1.614 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722428691 IYFJGSALKVZKFL-ICSRJNTNSA-N 440.548 1.536 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCCOC 1722433021 XKGREMOMCVEURH-UHFFFAOYSA-N 438.488 1.934 30 10 IDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1722515359 LTQQTKDXURQOSO-GOSISDBHSA-N 435.598 1.966 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1722679650 HXOAEXBQVJCXQR-INIZCTEOSA-N 425.537 1.781 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722700618 NVJHNFCMKRZCHZ-QGZVFWFLSA-N 441.536 1.670 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](CC)OC)CCOC1 1728798050 UDSFCEIQHYIVKZ-VGSWGCGISA-N 442.520 1.890 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1729409025 UWBYLQUTHOEBOR-SFHVURJKSA-N 433.472 1.647 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCN2CCOCC2)CCO1 1731187665 VOGGLZIDIGOFOY-IBGZPJMESA-N 428.512 1.849 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740623252 QLNMIIIITZJXNI-JWIGPWBQSA-N 426.608 1.720 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1740626590 MFBQKAVIMJLMJG-HOTGVXAUSA-N 435.575 1.416 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCc2ccc(OC)cc2)CC1 1740699111 UOZJXZAYHUXKIB-UHFFFAOYSA-N 436.560 1.797 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740762172 RVSDZALNNNTPAX-JZXOWHBKSA-N 439.582 1.281 30 10 IDEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O)C1CC1 1740909754 YSHGPIUILHQYKE-UHFFFAOYSA-N 442.545 1.874 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1748672625 VVXOMPVSCHQZRK-CXAGYDPISA-N 439.488 1.395 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1748801555 CXWZLFNSDDAYNV-HNNXBMFYSA-N 433.534 1.225 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748812060 PBVLNFXEEIAIGM-MOPGFXCFSA-N 428.562 1.307 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1749193467 KAYLMWGZOVGPJM-YJBOKZPZSA-N 427.596 1.521 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1749413054 RNBDWTRPVIZYSH-HOTGVXAUSA-N 448.597 1.776 30 10 IDEE C=CCCOCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1749460597 CXSJRWMBGAJGSI-BWAGFHJFSA-N 436.553 1.907 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)C1 1749711779 CEMIYLDFDVXULP-JKSUJKDBSA-N 449.581 1.356 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H]1CC 1749721318 HACYTEJCMYMGEC-KKUMJFAQSA-N 433.600 1.114 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1750030154 GYNCFPOTUDGSJU-HXUWFJFHSA-N 434.504 1.654 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1750087351 YYECNWNXSNTUGT-XUWVNRHRSA-N 431.541 1.781 30 10 IDEE COCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750104828 MLYXJODSRIOZIA-IBGZPJMESA-N 441.536 1.776 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1752279602 RRZULQWFRGJMNS-CYBMUJFWSA-N 439.501 1.449 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCOC(C)(C)C 1752280504 DQDXACHBUUXLAW-IAGOWNOFSA-N 440.552 1.974 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1760174024 CNGZGQKYUFSCLP-FQEVSTJZSA-N 443.573 1.130 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)CC 1760226531 GLEFHERJCSUPIY-NDEPHWFRSA-N 437.591 1.424 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC[C@H]2OC)C1 1760536132 CZKBBBPNCJSJLP-YXTQBTIXSA-N 436.553 1.763 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760559111 JAPHLYLCYKERQO-UHFFFAOYSA-N 437.614 1.966 30 10 IDEE CC(C)(C)c1nccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)n1 1760721515 MVAGXKIEZOKHAF-IRXDYDNUSA-N 438.536 1.678 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCS(C)(=O)=O)CCOC1 1761283439 OMNWOBUTFAOYMO-IBGZPJMESA-N 425.555 1.493 30 10 IDEE CCCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC#N 1764560774 CXRGGAXKCTUPJB-CQSZACIVSA-N 446.581 1.811 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC[C@@H]1C 1769084122 BXNUWECPWGEFEC-OXJNMPFZSA-N 436.520 1.852 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1770596053 GXGWVDPTDPPQBF-SFHVURJKSA-N 433.534 1.493 30 10 IDEE N#C[C@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)F)CCO1 1770746985 KFUWJQKIJHJMKM-INIZCTEOSA-N 430.459 1.858 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1 1771112107 GKLKEUACMNKXTL-KRWDZBQOSA-N 435.525 1.928 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCOCCCO)cc1 1771532851 QAOPWSKDKVZYEZ-FQEVSTJZSA-N 440.548 1.374 30 10 IDEE COc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1 1851146726 QECHLDXDHLBVRJ-LJQANCHMSA-N 449.511 1.680 30 10 IDEE CN1C[C@@H](CO[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)OCC1=O 1853360742 HCYJMZGYRREDFL-PMACEKPBSA-N 444.509 1.653 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)C(=O)C2)C1 1853742663 YROALJWMNPYKRF-LPHOPBHVSA-N 430.936 1.624 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 1855698230 MWZNKVPIOJGULY-HKUYNNGSSA-N 432.546 1.450 30 10 IDEE CN(C)CC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)c3ccc(CC#N)cc3)ccc21 1856088984 PXSKYTUYIWYVJL-UHFFFAOYSA-N 426.498 1.555 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCOC2)C(=O)C12CCCC2 1856258804 XEUWUUCGJAFUQM-KRWDZBQOSA-N 431.514 1.657 30 10 IDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3nccc(Cl)c3F)C2)C1 1856433286 KHHYRCUXZNCZTJ-LBPRGKRZSA-N 429.839 1.893 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N(CCO)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1857959910 AXXICYVFUHRKFR-GOSISDBHSA-N 431.445 1.311 30 10 IDEE CCCn1cc(C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)ccc1=O 1860861793 OADAZYBYPUKUFR-UHFFFAOYSA-N 447.455 1.844 30 10 IDEE CC(=O)NCCC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(C#N)cc1 1866803399 UZLSCBCIBUBLMS-OAQYLSRUSA-N 436.468 1.676 30 10 IDEE COc1cc(C(=O)N[C@H](CO)C(=O)N[C@H](C#N)c2ccc(C)cc2)cc(OC)c1OC 1867338332 ZACQZUQZFNQEQL-IAGOWNOFSA-N 427.457 1.493 30 10 IDEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870144283 WAIPRRAVRGOZNK-UHFFFAOYSA-N 426.396 1.640 30 10 IDEE C=CCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1870871716 XFBPJMVHHYZERN-UHFFFAOYSA-N 426.517 1.950 30 10 IDEE C=CCn1c(C(=O)NCCCOCCCC)cc2c(N3CCN(CCO)CC3)ncnc21 1873594095 NEQOGRVZEBNFCB-UHFFFAOYSA-N 444.580 1.668 30 10 IDEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@H](Oc3nccnc3C#N)C1)CS2 1891283872 JLMROYUEMSCZNK-GJZGRUSLSA-N 426.502 1.629 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc(I)n[nH]1 1985060347 RDDQIVXKLZBBCR-JTQLQIEISA-N 430.246 1.748 30 10 IDEE C#CCN(CC(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2009850623 FKXMTVDDWHGYQR-NRFANRHFSA-N 439.509 1.827 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124533079 NYTJTWHGKRDVFT-SFHVURJKSA-N 448.369 1.920 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(Br)cc2C#N)[C@@H](O)C1 2197490136 QCFSYSIEEUKDQQ-KBXCAEBGSA-N 440.294 1.992 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243394020 BUUJSMCPUYWJNZ-INIZCTEOSA-N 440.309 1.850 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247834358 UTZHNORRLVUSME-VXGBXAGGSA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248429484 NBJLANLRWYSTDW-LBPRGKRZSA-N 438.359 1.987 30 10 IDEE Cc1c(C(=O)NCCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255631327 WXZUVPFOHJFANM-UHFFFAOYSA-N 438.334 1.604 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255657321 NMZXLPRFUWVAPN-KBPBESRZSA-N 436.314 1.679 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CN(C(=O)OC(C)(C)C)C1 2255817765 ATFGBCAVTVLIQE-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255831543 XKMLYZAZXOXZOF-LSDHHAIUSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255881864 DYBDLIJNPOAASF-CABCVRRESA-N 433.314 1.091 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267113495 UQCUPKSXNCEDTE-CQSZACIVSA-N 449.361 1.490 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183416 GDJXGNUJSNLRCV-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267269014 AUXLOQRFHSPYHB-CQSZACIVSA-N 449.361 1.443 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267725877 GKCYBKMLYPVVBE-WBVHZDCISA-N 448.325 1.401 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267727574 XHQBTPLKDYYEFM-UHFFFAOYSA-N 448.325 1.403 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268708652 DMHDFHYHVJNFRZ-SFHVURJKSA-N 448.369 1.920 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2337206895 ULPLXWWOYPRATE-GJZGRUSLSA-N 446.357 1.658 30 10 IDEE C=CCNC(=O)c1cccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 15415410 ODRXSBVPJSKGLQ-IBGZPJMESA-N 448.483 1.893 30 10 IDEE biogenic C=CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)CC1 30948967 FYUOELBBKPNEOU-UHFFFAOYSA-N 434.544 1.878 30 10 IDEE N#CCCNC(=O)Cn1cnc(I)c1I 379898081 DFNPHCKUUSGWNY-UHFFFAOYSA-N 429.987 1.122 30 10 IDEE C[C@@H](C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409835597 XMTUTCCTLMUXRY-ZDUSSCGKSA-N 446.309 1.256 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)CC1 462739220 NPPOIJNZIJDVCS-JOCHJYFZSA-N 427.593 1.918 30 10 IDEE CNC(=O)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 484855419 YCGGFFWYFMRKMX-MOPGFXCFSA-N 433.468 1.757 30 10 IDEE COc1cccc([C@@H]2CN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CCO2)c1 486137743 NYAFQOMSWIEUBS-FQEVSTJZSA-N 425.489 1.585 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486253463 GHQFTNRVUCAATM-SFHVURJKSA-N 427.486 1.389 30 10 IDEE COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1 488881767 BHEIMCCSCVXVNE-UHFFFAOYSA-N 433.461 1.861 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 492782305 GJXKYGBTXLXOES-OALUTQOASA-N 429.565 1.863 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 497561964 QPLYOGZWSYKFCS-UHFFFAOYSA-N 428.514 1.770 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)CC1 498513560 IYFZFTZVISYMAE-JTHBVZDNSA-N 441.576 1.602 30 10 IDEE COCc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)no1 502008846 JPBQKSCQINFGKN-CYBMUJFWSA-N 432.380 1.869 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 503625877 HFGSKDFQZBZGIF-UHFFFAOYSA-N 432.278 1.134 30 10 IDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 505356217 SNIMRANDBUFTIW-KRWDZBQOSA-N 446.573 1.065 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 508497903 OGDXBVQZQZJXSZ-RTBURBONSA-N 446.577 1.878 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)ccc1Cl 531591241 ICRAWCGMXJDYLM-UHFFFAOYSA-N 447.967 1.372 30 10 IDEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)ccc21 544754342 YNZBEIVSLNPPLU-OAHLLOKOSA-N 447.499 1.323 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccc4ccccc4n3)C2=O)cc1 555957803 PWLIYYAHQCBHNF-NRFANRHFSA-N 427.464 1.640 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCCO3)CC2)n1 571451812 AZACIFOBJRVLLY-RBUKOAKNSA-N 439.520 1.528 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(F)c1 585779460 ZUMYDILLZQQCQL-UHFFFAOYSA-N 439.443 1.907 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 603799018 QXGBTZRTFIGRLQ-SFHVURJKSA-N 432.505 1.626 30 10 IDEE O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 673891051 YBEFZDBWVQEKKJ-FQEVSTJZSA-N 437.521 1.983 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)c(F)cc2F)c1=O 676039255 ZTKRBVHWFAUPGV-UHFFFAOYSA-N 449.454 1.288 30 10 IDEE C#CCONC(=O)c1cc(I)cc(I)c1O 704329699 FWLREGFJMPUQMX-UHFFFAOYSA-N 442.978 1.896 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)CNc3ccc(C#N)cc3)ncnc1-2 729460781 DYQRCIPFQLRSGS-UHFFFAOYSA-N 429.282 1.011 30 10 IDEE CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730141007 YNZNNOOLLXMIMA-KRWDZBQOSA-N 444.561 1.082 30 10 IDEE CCCn1c(CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)nc2cc(S(N)(=O)=O)ccc21 732649585 KRTPVUGTMHBGPB-MRXNPFEDSA-N 444.561 1.225 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 748395299 LUZPCMDBBGCPKG-UHFFFAOYSA-N 427.482 1.557 30 10 IDEE CCOC(=O)c1sc([C@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1C 757006204 BRFRSIWJGLMVSX-NSHDSACASA-N 436.515 1.544 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OC)c2)c1=O 758050734 HRPUIVOLQYRFEC-UHFFFAOYSA-N 430.485 1.946 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 760926122 UEOPBNLPIMOQNV-OAHLLOKOSA-N 435.550 1.206 30 10 IDEE C[C@H](/N=C1/S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C)c1cccs1 771543770 MWKLSLRLNUVGCJ-SSVDUBKHSA-N 433.563 1.544 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC 786839885 ACBFODZFJNMCNB-HIFRSBDPSA-N 435.951 1.565 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)[C@H](C#N)C1 796491569 JMXBRHGYTQABQA-MRXNPFEDSA-N 447.561 1.477 30 10 IDEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)Nc1ccc(I)cc1 798740889 DRMKUPLWTQDQEP-NXEZZACHSA-N 439.213 1.886 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1 807934891 ONLPBOJVUCJMLS-GOSISDBHSA-N 443.577 1.713 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 812179524 URQRDRLLJCZDBL-HZPDHXFCSA-N 434.541 1.864 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 813561771 NMESNMWYWAZVPU-DOTOQJQBSA-N 433.578 1.519 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 896890754 WCTOSYBTAXQHEL-BEFAXECRSA-N 449.463 1.837 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2N)cn1 1084356809 JLKGLDSQRUPTNR-UHFFFAOYSA-N 442.505 1.813 30 10 IDEE COC(=O)[C@]1(NC(=O)[C@H](C)n2cnc(C#N)n2)CCc2cc(Br)ccc2C1 1131154160 HBZJQJHUWGEDFJ-VOJFVSQTSA-N 432.278 1.690 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CCO2)cc1 1134506238 ARPKDPMJUMXCTH-FQEVSTJZSA-N 441.509 1.793 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)C2)c1 1149469120 REMPPKHFVGZULZ-UHFFFAOYSA-N 426.498 1.516 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1159779404 TVPBQBILENPNOG-JKSUJKDBSA-N 428.551 1.937 30 10 IDEE C#CCNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1198299551 GGUVZOZMPPOKQF-UHFFFAOYSA-N 438.569 1.916 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286314875 SOONMONXYHTUSY-HRAATJIYSA-N 449.552 1.929 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1286442939 RTMRNKRQMYHSHT-INIZCTEOSA-N 435.532 1.956 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)c(OC)c2)CC1 1286478819 CXGKLBBFQCPVEA-IBGZPJMESA-N 443.573 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)nc2)CC1 1286485580 QNGOCGFXGWHMHC-UHFFFAOYSA-N 435.532 1.232 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1286511041 FYCUNJNNCZGECW-UHFFFAOYSA-N 443.573 1.827 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1286514846 QSVVGLIGYAUDFE-HKUYNNGSSA-N 435.594 1.816 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286601916 PWAGWFKFFOBSJO-MRXNPFEDSA-N 440.508 1.074 30 10 IDEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1286735371 XHFSMQWSDFJZPU-INIZCTEOSA-N 425.449 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cncn2)C1 1286818928 SZRWUSIFHWUPDA-QGZVFWFLSA-N 428.522 1.374 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1288210442 ABWHXBGPABAIND-OAQYLSRUSA-N 430.509 1.792 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1295383494 CMGMFXADBYFORL-CVEARBPZSA-N 428.961 1.787 30 10 IDEE CCN1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1296058901 DYYUTSVXXKGTJS-QFBILLFUSA-N 445.593 1.881 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1300495379 GQGDXYKJPIKUGU-QUCCMNQESA-N 447.605 1.821 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300501687 NAXOXXZCSIZRRO-ZWKOTPCHSA-N 449.602 1.686 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCC(=O)N(C)C)CC1 1300725931 GUFOUIWPUQSBEL-UHFFFAOYSA-N 437.548 1.098 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC 1300914069 BAPIPXOPQSUMAJ-INIZCTEOSA-N 429.587 1.565 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)CC1 1301124452 INFHKQTXHWBONT-INIZCTEOSA-N 433.534 1.606 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301197872 QJJQZLTXTACFIY-UHFFFAOYSA-N 430.553 1.556 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CCO1 1301372629 GIUOFNVOLLDVCQ-NQIIRXRSSA-N 440.548 1.637 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1301517664 ANEYLISCKUWLLC-UHFFFAOYSA-N 439.520 1.893 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301568143 PCVQWGDPOGYZQL-HOTGVXAUSA-N 448.549 1.387 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1304397905 SXGKASYDJXPTKC-RDJZCZTQSA-N 425.493 1.750 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)C2)CC1 1307904546 LVTGLZUEDKRTDT-PCCBWWKXSA-N 448.608 1.548 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1COCCO1 1314391927 VMZYMHONMAEVPU-SFHVURJKSA-N 427.509 1.213 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)CCC)c1 1358902015 CLYNHMXNJKRULC-JPYJTQIMSA-N 438.532 1.837 30 10 IDEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358921587 BYEKDNUKYXMFFP-UHFFFAOYSA-N 440.935 1.939 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359062252 ANGACDMWGOAUEP-UZUQRXQVSA-N 440.523 1.892 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359207645 QTJIFLXXCIYOFJ-HNNXBMFYSA-N 433.538 1.362 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)C2CCCCC2)C1 1359319549 BBDTXKVEKRVEIV-QZTJIDSGSA-N 430.553 1.802 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCC(F)F)C1 1359323062 HLWXKSRHLPNBOO-AWEZNQCLSA-N 426.493 1.796 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1359472298 JJOMKPVFURODRH-INIZCTEOSA-N 442.568 1.628 30 10 IDEE C#CCN(C(=O)c1nnn(-c2ccccc2Br)c1C)[C@H]1CCS(=O)(=O)C1 1360054194 FZXSORRJIAFWRA-ZDUSSCGKSA-N 437.319 1.601 30 10 IDEE N#Cc1ccc(NCCNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)nc1 1441099951 IPCCHPVCACGWAA-UHFFFAOYSA-N 435.531 1.002 30 10 IDEE COC[C@]1(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CN(C(=O)OC(C)(C)C)CCO1 1447471016 FBQMIJWRCSKYOR-QFIPXVFZSA-N 431.489 1.800 30 10 IDEE N#Cc1cn(CC(=O)NCCCN2CCCCCC2=O)c2ccc([N+](=O)[O-])cc2c1=O 1458937199 UWDVMAWZHAUGCY-UHFFFAOYSA-N 425.445 1.690 30 10 IDEE C[C@@H]1CN(c2ccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C[C@@H](C)O1 1460828238 GUIPNSLQPUSIBA-VWXURSGXSA-N 432.546 1.109 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)C1=O 1463604045 HGMZKRIEXRLAKX-HNNXBMFYSA-N 433.527 1.385 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)NCc2ccnc(C#N)c2)(C(=O)OC(C)(C)C)C1 1467726662 LQTWPPDKUNPZEZ-QFIPXVFZSA-N 446.504 1.917 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1469509509 JIRXDTQREYJLLG-HUUCEWRRSA-N 439.500 1.952 30 10 IDEE CSc1nc(O)c(C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1C#N 1472263847 FVLGVHJOWZKZKD-LLVKDONJSA-N 434.275 1.831 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CNC2(c3ncccn3)CCOCC2)CC1 1473822461 JUSUUVKOYXLAPA-FQEVSTJZSA-N 438.507 1.620 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC([C@H]3COC(=O)N3)CC2)CC1 1473846800 QLSIYUGERZADIA-WOJBJXKFSA-N 429.496 1.355 30 10 IDEE CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1475102286 FIBHYZNLSWGOIP-VIFPVBQESA-N 440.316 1.020 30 10 IDEE CC#CC[C@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1479052661 ICNCEUKUNYMGRG-QGZVFWFLSA-N 442.520 1.866 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1503716316 UZDCXHFBUGFLEW-WMZOPIPTSA-N 426.521 1.974 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1503839045 BKJZXXLHAMIPBO-KRWDZBQOSA-N 428.440 1.138 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1503929235 COKNXLHUDPWZBA-QGZVFWFLSA-N 438.532 1.927 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCCC1=O 1505000196 PSDNBYOYZJJOMA-ZWKOTPCHSA-N 434.541 1.524 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507533122 IIXYIKBGVWFUDU-WMLDXEAASA-N 431.518 1.170 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1NC(=O)CC1(C)C 1507713821 YBVMYEZSXMQELK-SFHVURJKSA-N 435.532 1.517 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)C(=O)C1 1507800784 PGEMHTIRZUJSMN-LPHOPBHVSA-N 427.509 1.011 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1507848518 LICLPHKCORGSJM-OAQYLSRUSA-N 436.557 1.374 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507966055 LZGBCVFIBYLSKT-BZSNNMDCSA-N 437.541 1.872 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508077291 MACZCBVTIWNNMI-KRWDZBQOSA-N 438.488 1.335 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)CN(C)C2=O)C1 1508118142 WUTJWZLDZVHYRC-WTNAPCKOSA-N 433.553 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1508142950 HNYYNFAVURCKNS-SJORKVTESA-N 437.566 1.007 30 10 IDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508670660 OBMVGTNZEUJGID-WMZOPIPTSA-N 445.568 1.873 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1509955589 SQMFEYREHCWJTI-UONOGXRCSA-N 449.537 1.168 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511700777 ZIFGEUSUUMRIFR-WYULSBHSSA-N 438.536 1.901 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)C1 1517411209 CYVUQISOEQWZHF-DLBZAZTESA-N 438.305 1.544 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1519062278 PVUUXXKHNSYTRF-YLJYHZDGSA-N 438.598 1.279 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539071512 AVBFHJWOFSXRCY-SFHVURJKSA-N 447.605 1.965 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)CC 1539377753 VBIGQABPLLQTIF-UHFFFAOYSA-N 437.592 1.581 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1539445788 GGAXZUAJIJWQPD-XMSQKQJNSA-N 426.521 1.102 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539596207 JEDLGVAOCFVKBN-ZDUSSCGKSA-N 448.387 1.599 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539613075 UGLONWYPQYGDAB-UFYCRDLUSA-N 446.596 1.652 30 10 IDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC)C(=O)OC(C)(C)C 1539794831 AQBNAFDXGKOFEW-UHFFFAOYSA-N 437.518 1.945 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1541729005 RJNXPUUWQOQWTL-YADHBBJMSA-N 446.552 1.308 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1541990335 DVAVGYYUXLNEAO-QRWLVFNGSA-N 436.582 1.473 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 1544247963 GHUOAEICCNXORQ-UHFFFAOYSA-N 445.520 1.331 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCS1(=O)=O 1545460610 DOVNXXUMMKDHMS-CQSZACIVSA-N 445.549 1.362 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1547412516 INKLKEBUBQWSQM-LNLFQRSKSA-N 434.541 1.379 30 10 IDEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1555487988 LHWLVHKYKCKXAW-GOSISDBHSA-N 447.561 1.618 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2CCC)CC1 1558075524 WZFPFZQURVZSLD-NHCUHLMSSA-N 432.590 1.147 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)C[C@H]1CS(=O)(=O)C2 1558643357 UERWLEPOUIHGQV-YVEFUNNKSA-N 435.303 1.850 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@]3(CC(=O)c4ccccc4O3)C2)c1 1559014464 CYFLCRWLZOUXEZ-QFIPXVFZSA-N 439.493 1.863 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1566182793 BZONGIDWUYXDFP-QGZVFWFLSA-N 445.582 1.192 30 10 IDEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1(S(C)(=O)=O)CC1 1568907976 DWHYAXQAAFJYSL-XNDRKVBMSA-N 425.551 1.855 30 10 IDEE C=CCn1cc(CNC(=O)CNC(=O)c2ccccc2I)nn1 1570505590 LAGGCJRPIKGIFJ-UHFFFAOYSA-N 425.230 1.115 30 10 IDEE CCCCn1c(CCC(=O)N2CCO[C@](C)(C#N)C2)nc2c1c(O)nc(=O)n2CCCC 1585431584 GIPDSTZYDQDCQG-JOCHJYFZSA-N 444.536 1.972 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588166397 GAEPJKJBPYHWSD-NRFANRHFSA-N 444.582 1.501 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1588185060 ABMPZSLZYRYYFE-FCHUYYIVSA-N 431.606 1.830 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1588314733 PDFDAWNQQBAGAT-UHFFFAOYSA-N 443.511 1.707 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCCO2 1588639039 YOOAWFACAAUIPP-KRWDZBQOSA-N 425.489 1.525 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2([S@@](C)=O)CC2)CC1 1588858210 ZTTXAKOJYWEKQF-WJOKGBTCSA-N 441.601 1.738 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588899182 MCPJFLBTPZITFG-ZHRRBRCNSA-N 427.505 1.352 30 10 IDEE COCCCS(=O)(=O)N1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1595464938 ADIDMSSIJOZWLY-UHFFFAOYSA-N 436.534 1.178 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595556162 PPSXSIBGKBUSSY-WBVHZDCISA-N 428.924 1.539 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCC)c2)C1 1595715571 YMIFRYRRDUQHFP-OALUTQOASA-N 438.532 1.809 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCC)C1 1595728842 GPBDNSIKHALOPQ-QYZOEREBSA-N 437.610 1.836 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CCN2CCNC2=O)n1 1597084215 RJAIOJAVCXWPGS-ZDUSSCGKSA-N 426.905 1.883 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1612459222 CJRPIQGEPUIIIM-HSZRJFAPSA-N 434.548 1.870 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1614956736 PCJNCGKYHDUBHA-MJGOQNOKSA-N 435.532 1.695 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CO[C@@H]2[C@H](OC(=O)NC3CCCCC3)CO[C@@H]21 1616134071 IQZGNPVAZIWKOC-PSBWJHGTSA-N 435.502 1.430 30 10 IDEE Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccc1N1CCOCC1=O 1616255173 YRHYINRAGVVVQD-UHFFFAOYSA-N 442.497 1.803 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc2)CC1 1616997942 KCTFHQVLTVYOII-OAHLLOKOSA-N 432.424 1.114 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)C[C@H]1O 1618884265 VMYILPOIHOSAOH-WOJBJXKFSA-N 438.532 1.663 30 10 IDEE CNC(=O)Cn1nc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc1C 1637792937 KORNJXFPQFRWBU-FAGJFJLWSA-N 430.509 1.663 30 10 IDEE CCOC(=O)[C@]1(F)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC12CCC2 1641280796 WYRHCOQOEMSVLW-VBKZILBWSA-N 437.493 1.509 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)C(F)(F)c2ccccc2C#N)C1 1642640908 WYSLNHUTLJJWRS-UHFFFAOYSA-N 434.443 1.988 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(CN(C)C)CC1 1642675665 DLVKEYGUWGKANQ-KRWDZBQOSA-N 436.578 1.199 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN(c3ccsc3C#N)CC2)CCC1 1643812020 ZMZLHTAGRQHBDV-KRWDZBQOSA-N 426.608 1.743 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1649540208 USCOSCMREMEWFZ-NJNPRVFISA-N 428.537 1.789 30 10 IDEE N[C@@](C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O)(c1cccc(F)c1)C(F)(F)F 1651235149 FWDGIVXAQAHRRA-OAHLLOKOSA-N 442.291 1.683 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H](C)COC 1654211768 WYHRBFAZNRSYGJ-HNNXBMFYSA-N 431.505 1.321 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1654371010 DAIUBPAIMJKZFE-SNVBAGLBSA-N 440.316 1.162 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1659966598 BLQGKLPTLOTWBH-JOCHJYFZSA-N 443.479 1.406 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1663136044 BAOMDPCEKGQYBO-MAUKXSAKSA-N 445.994 1.677 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1671501145 ZTEXQMHSBGDSRG-UHFFFAOYSA-N 443.485 1.772 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCC[C@H]2CCCS2(=O)=O)CC1 1683741618 AJINXYAWFNAYPM-QGZVFWFLSA-N 427.530 1.905 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1689833176 DYZFHZNRSYMLRB-SMASLZHESA-N 430.505 1.969 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689987834 CXZLOBVZHWUIGT-ZWKOTPCHSA-N 433.578 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2nncn2CC)CC1 1690148806 VSVOUUYBCLBDMA-UHFFFAOYSA-N 446.559 1.803 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1690156362 WHVUAVLOCVNLLE-FQEVSTJZSA-N 428.518 1.288 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690186263 OGACMUSDBVASDG-MRXNPFEDSA-N 427.596 1.404 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1690202697 BCXFRAITKSNKTM-QMHKHESXSA-N 436.516 1.846 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1690420185 KBERWRZRQLENDA-GDBMZVCRSA-N 426.587 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690715736 SLRTXAMAZHXFTC-UHFFFAOYSA-N 426.930 1.679 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CCOCC2)C1 1690729532 PCHPKHMRQDNGTH-UHFFFAOYSA-N 448.593 1.747 30 10 IDEE CCOC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696004283 ZQQFZXKWMCNPCP-UHOSZYNNSA-N 432.569 1.994 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccnc(OCC(F)(F)F)c2)cn1 1696854139 FWULNAZZTURHED-HNNXBMFYSA-N 448.409 1.792 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1698492805 FXWYQNVFVOKOEU-ARFHVFGLSA-N 428.459 1.785 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705492695 VLJHICOIWMRNHI-HRCADAONSA-N 439.582 1.941 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)nc1 1705627311 CNAAQPOTWQHKIL-IBGZPJMESA-N 437.548 1.749 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCn2ccnc2C)CC1 1705643898 TTZPUXZRDPSZGP-SFTDATJTSA-N 441.580 1.743 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1705659512 YWEPXDDWGHHDBC-KRWDZBQOSA-N 432.594 1.728 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1705704601 WZXREBXTXOVFAP-PKOBYXMFSA-N 427.553 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 1705934843 YRKCXWHMDACMHM-ZDUSSCGKSA-N 435.472 1.609 30 10 IDEE CC[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1CCOC 1709346773 CDEZWLBVUXDOFC-UFVMTTLYSA-N 443.552 1.229 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1710990272 AEKCTNFFGPUGSN-UHFFFAOYSA-N 447.543 1.786 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(OC)CC2)CCO1 1711360885 QTGUVMVLPHVWTA-UUKMXZOPSA-N 438.532 1.973 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722358531 CRBOCEDTZHCOIN-DOTOQJQBSA-N 447.561 1.778 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722364085 WZZBHCFFGDYDGE-NVXWUHKLSA-N 445.545 1.251 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC(C)CC1 1722419320 XKISPZVMFAZYHW-UHFFFAOYSA-N 425.537 1.743 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CC1 1722422219 WWEPEIUKURDTHW-UHFFFAOYSA-N 440.504 1.804 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1722471808 RIOLSDGWMKDETC-PGRDOPGGSA-N 441.557 1.868 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1722574861 YUGQGUVNSGDBFP-IBGZPJMESA-N 429.613 1.943 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722609112 SHTVJCLJTCTKEA-UONOGXRCSA-N 438.520 1.927 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCNS(C)(=O)=O 1722656148 XCSWOOBCPKKVHR-UHFFFAOYSA-N 440.533 1.292 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1nnn(C)n1 1722675903 VACPUVIEXVCRGQ-UHFFFAOYSA-N 432.536 1.947 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC2(CCOCC2)C1 1722702953 RUVBMBUSXXNORC-HKUYNNGSSA-N 433.553 1.701 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1722736920 NAWUULCEPJWXBB-UHFFFAOYSA-N 434.545 1.591 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1724279047 CCUDSSAAAAXYJF-KRWDZBQOSA-N 448.549 1.094 30 10 IDEE COCCOC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOCC2)CCOCC1 1730886436 PLZSGYIWMMYDGC-UHFFFAOYSA-N 427.505 1.866 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2=CCCCC2)C1 1731015357 QVTVANKTZKRZSY-VQIMIIECSA-N 438.529 1.553 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740549575 MBABEEWIXDDDIV-UTKZUKDTSA-N 436.560 1.692 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(=O)NC)c1 1740613167 WFMFWIXWDLFCIB-UHFFFAOYSA-N 436.541 1.941 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740620920 IAJYWSFPKDXLHJ-AEFFLSMTSA-N 429.546 1.782 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1740695140 GOKGSXCLMRGLSI-NRFANRHFSA-N 436.539 1.876 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCS2)CC1 1740704887 VQSNIPSRKMOHGY-GOSISDBHSA-N 427.578 1.930 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(N2CCCCC2=O)CC1 1740961998 OTLCUOFBHBFHMC-UHFFFAOYSA-N 437.548 1.547 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740963450 LGEZMIGSWYXDSU-RTBURBONSA-N 438.532 1.715 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)C1 1740979007 GCXKHRXRVUCSOT-OALUTQOASA-N 438.532 1.613 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748815497 QUBYNRTUVSRANA-HUUCEWRRSA-N 436.563 1.355 30 10 IDEE C#CCN(CC)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1748921397 QZCJHZNSGLVYGI-UHFFFAOYSA-N 437.566 1.922 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(C)COC2)CC1 1749015995 VWUNINVLTNQXSN-UHFFFAOYSA-N 437.544 1.902 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749039266 RVDPHCLHHMIQGH-OAHLLOKOSA-N 427.596 1.057 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1749210045 BIBHYNGRPIKXTE-UHFFFAOYSA-N 432.569 1.848 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1749234503 FUAAXZDBPVZQRM-UHFFFAOYSA-N 439.563 1.097 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749650111 JYSZCVNUHFNZKK-RDJZCZTQSA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1749665733 AXZVLECUHPQPRR-IBGZPJMESA-N 437.548 1.768 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2nccnc2C)CC1 1749672547 XOTXONOOUPKIND-UHFFFAOYSA-N 446.559 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749731834 LWVUNRYMMMJSGZ-UHFFFAOYSA-N 449.499 1.651 30 10 IDEE CS[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C 1750246198 DQFWOSNEQRIWNH-HZSPNIEDSA-N 430.600 1.395 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1752278638 LTRKTTXPWCJRFX-ZHRRBRCNSA-N 440.504 1.201 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1occc1C 1760097510 GFFIHEROOOTIJT-LSDHHAIUSA-N 436.538 1.068 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760184499 XVMJHORYMYJVHX-LSDHHAIUSA-N 448.574 1.304 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1760187829 XZZQZVGRDQTVEG-LJQANCHMSA-N 445.589 1.456 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760201048 GEUNCLKBVDZKAY-UHFFFAOYSA-N 425.500 1.997 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C(N)=O)nc1 1760213252 WGYBPOZANNLYRX-UHFFFAOYSA-N 429.440 1.858 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1760218849 OKRZJBLRPGIUOZ-GOSISDBHSA-N 427.530 1.135 30 10 IDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1)C1CC1 1760476683 CKOGYWINVVTKEP-INIZCTEOSA-N 444.540 1.918 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760515768 ZEVBASNYPJWMPE-INIZCTEOSA-N 439.520 1.359 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCCc2ccccc2)C1 1760545286 RGYBENBTSDBVET-LJQANCHMSA-N 433.516 1.875 30 10 IDEE CC(C)OCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1761315486 SSAQDQWJJYKTQZ-ZWKOTPCHSA-N 440.552 1.974 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1765281089 DDKYVESUCFPNPK-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(F)(F)F 1769600345 JPPNFWYOSCWDCK-JKSUJKDBSA-N 449.437 1.998 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCCN2CCCC2)cc1 1770737979 APPDDAIVGRGGDA-UHFFFAOYSA-N 437.548 1.916 30 10 IDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771027934 ZKDWVXJXKIHCGI-HZPDHXFCSA-N 439.524 1.033 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1772567246 QWKIWBOVJSPXMZ-RTBURBONSA-N 443.552 1.541 30 10 IDEE N#Cc1c(F)ccc(NC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1F 1851991050 OHNHYHVSTAFLEP-UHFFFAOYSA-N 426.367 1.884 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CCO1 1852748141 BHMHXJBZJPCQKX-MJGOQNOKSA-N 433.917 1.981 30 10 IDEE C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CC[C@H](N2CCNC(=O)C2)C1 1852964443 MPZNFBHBHZEAKL-XLIONFOSSA-N 442.523 1.824 30 10 IDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1853744405 DEMDHJIMVLPOLA-PMACEKPBSA-N 431.558 1.906 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3Cl)C(=O)C2)cc1 1854038485 SZCQNKDLWVTUPY-UHFFFAOYSA-N 433.873 1.650 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(Br)s2)C1=O 1854282059 ABCPZRTWAUQOAT-VXGBXAGGSA-N 426.336 1.970 30 10 IDEE C=CCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)C12CCCC2 1856281881 MWIJUDQNRFHNEQ-HNNXBMFYSA-N 428.558 1.939 30 10 IDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(=O)n3cc(C)ccc3nc21 1875237949 RNJBTQVYGNMFPG-UHFFFAOYSA-N 425.470 1.569 30 10 IDEE C=CCC1(NC(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993297370 NPVRPDQQIGMVRG-UHFFFAOYSA-N 425.526 1.898 30 10 IDEE CC(C)(C#CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)NC(=O)OC(C)(C)C 1993921761 UANZLCDMAALOMP-HUUCEWRRSA-N 425.526 1.637 30 10 IDEE NCC#Cc1cc2c(s1)CCN(S(=O)(=O)CCN1C(=O)c3ccccc3C1=O)C2 2141436238 VCNKFFNLWUHIGH-UHFFFAOYSA-N 429.523 1.042 30 10 IDEE CC1(C)OB(c2cccc(S(=O)(=O)NCC(=O)NCc3ccccc3)c2)OC1(C)C 2247881116 RSVJJPMXVRQCQF-UHFFFAOYSA-N 430.335 1.581 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255703084 OOGGXDKZXXZSET-KBPBESRZSA-N 436.314 1.848 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255853019 KZNZNBZUAPUTIN-AAEUAGOBSA-N 429.248 1.986 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256623827 HFSXCTZORMZQEZ-CQSZACIVSA-N 439.293 1.998 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2256637168 RVQPNEMHSFNLON-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)nn1 2259056193 BYRPEEWCKDPNQC-CABCVRRESA-N 435.334 1.901 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2267176627 CEAUXPDBOJYAMD-FVQBIDKESA-N 446.357 1.847 30 10 IDEE C[C@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)C(F)(F)F 2267592370 DGMUKTYERABMDD-SWLSCSKDSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2267594420 BYJJTFDGQDNIAD-YOEHRIQHSA-N 447.341 1.338 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267596689 LCCHLLARERDLNU-AWEZNQCLSA-N 449.361 1.490 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2269063492 ISPYJPCMEGGDHY-MRXNPFEDSA-N 443.309 1.428 30 10 IDEE C[C@@H](C#CC(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302374722 KECHMNUWZTZVPE-QKKBWIMNSA-N 439.509 1.874 30 10 IDEE C=CC1(N[C@@]2(C(=O)O)COCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2306597634 LJGRCXVRVDRPHZ-OAQYLSRUSA-N 441.525 1.842 30 10 IDEE CS(=O)(=O)C1(C#CC(=O)[C@@H](O)c2ncc(I)s2)CCC1 2367842603 AIESSAPBNRXFGV-SNVBAGLBSA-N 425.269 1.321 30 10 IDEE COc1cc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)ccc1O 13152684 ZMSXRKCOSUMMEC-OTKMYCFOSA-N 447.516 1.739 30 10 IDEE COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@H](C)n3cnc(C#N)n3)c2)cc1 409702666 QTPWVWQOYGQXCL-AWEZNQCLSA-N 440.485 1.837 30 10 IDEE CN(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 437512061 HWARFTMYHIVADI-IBGZPJMESA-N 427.498 1.824 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 475804512 MYWOZTOPCRRPEB-UHFFFAOYSA-N 440.591 1.521 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 478846319 RPSNPIOIQCBHCI-SFHVURJKSA-N 442.500 1.664 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccon1 480952273 NPEJVIJKTMCWCC-UHFFFAOYSA-N 447.476 1.074 30 10 IDEE CS[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1N1CCCC1 484622880 CSRFUZMVQIHRNP-QWFCFKBJSA-N 433.647 1.969 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 508930542 FIFIAPMTGQOMEU-SJORKVTESA-N 425.555 1.050 30 10 IDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 517604076 YMXFTTPWVVGGRI-HNNXBMFYSA-N 425.919 1.953 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@@H]1CCCO1 518231046 XNTCJXSLUUMEMQ-KRWDZBQOSA-N 448.548 1.665 30 10 IDEE Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 524850950 RJSGDQQNQRDLET-UHFFFAOYSA-N 437.499 1.394 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccccc1 573369214 YQGBYLAAOPWDAT-SFHVURJKSA-N 435.550 1.450 30 10 IDEE N#C[C@]1(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CCSC1 589308986 BHMIYRYSADSLHL-QFJUTQFFSA-N 433.533 1.981 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2noc(C(F)F)n2)CCC1 590431859 AQSSIURHJKYOOI-SNVBAGLBSA-N 425.417 1.741 30 10 IDEE C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609359158 ROBQJRNRPTWEJW-ROUUACIJSA-N 433.578 1.837 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)c(F)c1 610508698 IDHAQYASXMCHPR-UHFFFAOYSA-N 440.431 1.190 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](OC(F)F)C2)CC1 611579846 XHFRTWJRFWNHQP-INIZCTEOSA-N 442.488 1.095 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CCN2C1=O 619853120 DKGFULYSNKGPHE-QZTJIDSGSA-N 435.488 1.468 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730142247 QKBNNNGBJQTQIB-CZUORRHYSA-N 437.541 1.350 30 10 IDEE C#CCN(C(=O)[C@@H](C)Sc1ccccc1S(=O)(=O)CCC)[C@@H]1CCS(=O)(=O)C1 730536447 MLGJPXFLEMFFKP-HZPDHXFCSA-N 443.612 2.000 30 10 IDEE COc1ccc(COC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 747005518 HNRGZTGCHDBTSB-UHFFFAOYSA-N 431.470 1.290 30 10 IDEE CS(=O)(=O)[C@H]1CC[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 752214414 BEVZJHKKORRCTQ-AEFFLSMTSA-N 440.543 1.468 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)ccc1OC 752960119 CWXUAXSRIOWRSF-XCGNWRKASA-N 443.504 1.896 30 10 IDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760402850 YDXQTKIAMDGOJF-HUUCEWRRSA-N 438.550 1.653 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2CCN2CCOCC2)cc1 764984781 YENQJHPTJFIOHQ-UHFFFAOYSA-N 449.532 1.529 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)cn1 772286315 ZTOZMNBWGJAZOQ-UHFFFAOYSA-N 431.521 1.630 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O 773655193 DSLAPDRBQPMDRO-YWMAMYRUSA-N 447.289 1.587 30 10 IDEE C#CCN(C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CCS(=O)(=O)C1 774177462 JMWZMHJIDKCTLQ-KRWDZBQOSA-N 425.501 1.761 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@@H]1CCCO1 782589124 OUYSSYUFYJSJCJ-IBGZPJMESA-N 446.532 1.442 30 10 IDEE CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1F 782808676 HAKSHVXLTDKJSL-BMRADRMJSA-N 436.415 1.723 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 918238393 CYROGPSCRDHPOG-LYBHJNIJSA-N 428.514 1.797 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(N4CCCOC4=O)CC3)C2=O)cc1 1134278551 JLZKVPLLCYLIFS-SFHVURJKSA-N 439.472 1.597 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)nn1 1137588304 WKEMAWWTHAQHOK-FUHWJXTLSA-N 446.552 1.832 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)C(=O)OC(C)(C)C 1141521932 SQWZTVMSKIIWCI-UHFFFAOYSA-N 445.516 1.859 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 1177754158 DHKBNWICYLUDJI-ZDUSSCGKSA-N 437.871 1.851 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)cc1 1179342783 ZOKLVNHOJMPSOB-LJQANCHMSA-N 447.538 1.225 30 10 IDEE O=C1C=COC2(CCN(C(=O)NCc3ccc(N4CCCS4(=O)=O)c(F)c3)CC2)C1 1226834582 FLMSEQXLMBTQPZ-UHFFFAOYSA-N 437.493 1.913 30 10 IDEE N#Cc1c(CCCNC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)nn(-c2ccc(F)cc2)c1N 1252335904 XHERJHQAXFOETG-MRXNPFEDSA-N 441.467 1.680 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1286376993 QJDXIIFJLKPQAO-BBRMVZONSA-N 436.538 1.089 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286388104 YDVQNNUEIAGPRN-SCTDSRPQSA-N 431.562 1.961 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1286423508 KDMSTIOXEYGZQP-UHFFFAOYSA-N 444.513 1.198 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(C(N)=O)CCOCC2)CC1 1286482688 VOEULUZWTWGBMA-UHFFFAOYSA-N 440.523 1.045 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)C[C@@H](C)C1 1286786918 LVQYBKMRPJAQKD-HZPDHXFCSA-N 435.532 1.977 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286789500 FBLFELHUVRBSBV-SFHVURJKSA-N 438.532 1.587 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286813717 AIFMEGCIANLEBQ-FJIDUMEYSA-N 440.566 1.218 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286818276 FQGCAYVVMSNSHE-KRWDZBQOSA-N 434.566 1.098 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1288145289 MHUQMIRDWQTRIN-LJQANCHMSA-N 425.510 1.785 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1288983498 UCQWYPWBQAWIQL-JKSUJKDBSA-N 425.493 1.595 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1293867651 BMICSWUAMBXVPS-SVMVAKDDSA-N 448.568 1.600 30 10 IDEE COc1cc(CN2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)cc(OC)c1OC 1294123166 FINJMMCRSXXTBV-UHFFFAOYSA-N 425.489 1.735 30 10 IDEE Cn1cc([C@H](CO)NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1295847413 LJTKPFVRGCRVOX-RBUKOAKNSA-N 425.489 1.976 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)Cc3ccc(C#N)nc3)C2)C(=O)C1 1296661708 ODIFIPKMQJUJRE-GOSISDBHSA-N 427.505 1.566 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CC1 1300298432 COBWGYYFAQJKFS-MLNJSSBLSA-N 434.591 1.607 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1300309052 RZTGUFXCBQZGCM-HUUCEWRRSA-N 435.516 1.912 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCC3(C2)OCCO3)n1 1300680450 BVBOKBASHURDSZ-GOSISDBHSA-N 428.537 1.866 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(O)cc2)CC1 1300707234 BUKBPNYBKPDJQK-UHFFFAOYSA-N 436.541 1.779 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300756388 KZRITSZDPIOBRR-IAGOWNOFSA-N 429.550 1.006 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOCCS(C)(=O)=O)CC1 1301069805 GCMCTGYQPVIWFZ-IBGZPJMESA-N 428.555 1.148 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301477543 BTLJNBJBSMGUPM-KRWDZBQOSA-N 439.520 1.623 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(CC)c1 1301497055 MQWOVELMJCQLFI-UHFFFAOYSA-N 426.481 1.161 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCOCC2)C1 1301543694 OTACKXOCFICFFQ-VIZSFHNOSA-N 449.596 1.821 30 10 IDEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)cn1 1301854916 AJFPFPFZAQGOOJ-QGZVFWFLSA-N 437.504 1.845 30 10 IDEE C=C(C)C[C@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1303111286 FYVBAXOTOYZGNC-ROUUACIJSA-N 428.489 1.550 30 10 IDEE CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H](C)CC#N)CC1 1313926697 FRDIXEVJWQKPOW-FYQPLNBISA-N 433.601 1.766 30 10 IDEE COC(=O)c1sccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318073428 GOSKWXYNJOQBRY-GFCCVEGCSA-N 433.467 1.264 30 10 IDEE CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 1356086790 JXEOEQPMPDFCSD-MRXNPFEDSA-N 430.571 1.846 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358900692 QRDBTJPJYVDIOT-HAGHYFMRSA-N 446.596 1.403 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1358915175 UWXYIKSZQNHMII-UHFFFAOYSA-N 444.543 1.888 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCN1CCCO 1358941157 ZUMXBFYNBMHWPR-MRXNPFEDSA-N 435.370 1.962 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358967696 QHJDJLYBECKFLW-ICSRJNTNSA-N 445.589 1.966 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)COCCO1 1359025459 PDSQPHDISDSOJK-SIKLNZKXSA-N 428.489 1.682 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1359042880 XLCVMGGBUGNIRD-UHFFFAOYSA-N 449.964 1.609 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1359057132 STPNJXMTQHJJBY-IAGOWNOFSA-N 426.608 1.800 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359149442 ADYNQAGMVPSJAI-UONOGXRCSA-N 427.900 1.358 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1359305294 ZHADPUMBFICRTH-UHFFFAOYSA-N 430.484 1.218 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359326987 PBJMIVLWAISQDO-QZTJIDSGSA-N 425.599 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CNC(C)=O)CC1 1359330034 DTZFJSIRMJFGRF-UHFFFAOYSA-N 432.550 1.293 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCCC1(C)C 1360677489 DGJNJHLEHCJIML-FOIQADDNSA-N 438.598 1.960 30 10 IDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1453287726 WPMVBFPYOCSSLH-JCHJZTRSSA-N 428.489 1.446 30 10 IDEE N#Cc1cn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C2CCCC2)c(=O)nc1O 1453841826 JFNYGQPXOFPNHQ-LEWJYISDSA-N 435.528 1.875 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#C[C@H]2CCCCO2)o1 1457032290 RTYVSPWDILRSDN-HZPDHXFCSA-N 438.502 1.298 30 10 IDEE 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CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1(C)C 1504505649 WTAYJJDCLQVEJC-GOSISDBHSA-N 447.561 1.739 30 10 IDEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1504633487 BRURJAMMTNJQHR-JKSUJKDBSA-N 425.555 1.219 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1507554321 OSCSLFPXQIJOPD-UHFFFAOYSA-N 429.569 1.946 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1507631848 UIURMRVIHWIVLW-QGZVFWFLSA-N 431.566 1.094 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1507637481 KJYXVJCACRCXFY-XSLAGTTESA-N 440.566 1.054 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C1CC1 1507643261 JZLVOOHHKFGGLP-UHFFFAOYSA-N 429.322 1.645 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NCC2CC2)CC1 1507719536 OLMWUXGRSRAGNW-KRWDZBQOSA-N 440.523 1.839 30 10 IDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507787751 HEIYLKOCAVYZHP-UHFFFAOYSA-N 442.321 1.829 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1507801800 YFGYGNFBCHFRIR-KXBFYZLASA-N 429.525 1.131 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(C)(=O)=O)C1 1508108863 JCPOPZDODKZXLQ-SFHVURJKSA-N 447.561 1.973 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCCCO 1509682178 AWGNERZTCQKIDA-UHFFFAOYSA-N 443.527 1.916 30 10 IDEE CCN(CCC1CC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1515701173 VLUDDZDDQBQJHP-CZIZESTLSA-N 441.536 1.667 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1519520240 BXMTXNMGSONQBD-INIZCTEOSA-N 444.542 1.896 30 10 IDEE N#Cc1ccc(OC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c(I)c1 1524881351 HZWNQAAOYUBEHW-CJNGLKHVSA-N 442.253 1.948 30 10 IDEE COC(=O)[C@](C)(CCF)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1528818047 MIPDMXGSADPARS-IBGZPJMESA-N 425.482 1.366 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CCN(C)CC1 1538520203 SJZKYKXAXUZHQR-QZTJIDSGSA-N 433.574 1.654 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539226505 ZLVOSMPOIYDMSU-GOSISDBHSA-N 428.562 1.755 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1 1539396271 NIORSRGHVAGLQW-AWEZNQCLSA-N 425.942 1.676 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccc(F)cc2)CC1 1539430887 NKCWGQSHTWLGRQ-DLBZAZTESA-N 448.568 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@@H]2C)CC1 1539487838 ADROHQBLQIDBHD-PKOBYXMFSA-N 426.565 1.803 30 10 IDEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539574103 HBHWEYFYZNKUFV-ZDUSSCGKSA-N 441.374 1.873 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539635995 IQVMMAYDQFHWBG-SBHAEUEKSA-N 430.597 1.955 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1)C1CC1 1540108278 IBZIBKFWNIOSFD-KRWDZBQOSA-N 439.582 1.725 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1540861802 HAHRIICICCHEQI-WJOKGBTCSA-N 444.561 1.190 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1540863279 SMFHPHCVDCEUNN-IBGZPJMESA-N 445.612 1.618 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C)CC1 1540870802 XKKIORXDNOMYPE-QGZVFWFLSA-N 426.525 1.247 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540901613 KHUSLSXJEDMDPJ-OAHLLOKOSA-N 430.538 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cnn(C)c1C 1540905642 YFCWENUETGPDOI-UHFFFAOYSA-N 429.550 1.543 30 10 IDEE CC(C)Cc1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1541436409 UEWOBLPVKWVQGX-BUNKOAGESA-N 441.536 1.250 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1Cc1ccc(C#N)o1 1541674075 NZVQEQXPPMGLOV-UHFFFAOYSA-N 438.467 1.790 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1541807179 BIPOFCXISSIBGV-LVQVYYBASA-N 431.541 1.923 30 10 IDEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cnn1CC(C)C 1542110705 OEHVLLBOEIAWOF-DOTOQJQBSA-N 433.582 1.985 30 10 IDEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1543354666 DBXUYDNRXXSJMX-UHFFFAOYSA-N 438.619 1.774 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](c1ccco1)N(C)C 1546527297 AUBKENBLEUBGPR-SFHVURJKSA-N 437.552 1.977 30 10 IDEE CCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NCCOC 1548371018 ABNPLRGNMUQCLK-MRXNPFEDSA-N 427.427 1.560 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(C1)c1[nH]cnc1CCN2CC(=O)N(CCC#N)CCC#N 1560025345 JFGZJGRMYJRURR-QFIPXVFZSA-N 441.536 1.760 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(N3CCOCC3)c2)s1 1569746812 REYWMZKWDMBKMM-UHFFFAOYSA-N 435.571 1.908 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2([S@@](C)=O)CC2)c1 1587697837 YVFVNTAVFHONKW-SSEXGKCCSA-N 429.546 1.782 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587837609 GUDKXSKHNXEJKL-UHFFFAOYSA-N 434.504 1.811 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1588129177 YSOGYPNSSDFKTM-MRXNPFEDSA-N 425.876 1.775 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1588314695 NJQRCRVGDSTHQG-OAHLLOKOSA-N 440.529 1.878 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1589060478 SEVVYGOWBNAYRO-QGZVFWFLSA-N 425.562 1.619 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCOC2)CC1 1594097153 MULLLDQCBYLIHC-IAGOWNOFSA-N 425.555 1.194 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1594491533 CYKIJYFRKFZLCR-SFHVURJKSA-N 445.612 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(C)(=O)=O)C1 1595699887 IOYYHLBLNPWJKM-MRXNPFEDSA-N 436.534 1.788 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595845295 QZGSRQRGCNLQQZ-LSDHHAIUSA-N 439.611 1.535 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1595883772 BDEBJWMDQPGMSB-IAGOWNOFSA-N 434.610 1.490 30 10 IDEE C=CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nn1 1598174369 DFJBIXIVDNIRLJ-UHFFFAOYSA-N 425.898 1.068 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCN(C)C 1602849052 FKYXSQLPNSNSLL-QGZVFWFLSA-N 427.557 1.356 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)C2)c(=O)nc1O 1607497154 CGGNPCSQSRIGFQ-UHFFFAOYSA-N 443.213 1.387 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1612123351 ALSNVMOCVLTTCQ-OXJNMPFZSA-N 433.534 1.311 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c(OC)c1 1619271499 IASIAMGSPFGATM-KGLIPLIRSA-N 436.538 1.550 30 10 IDEE COCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCOCC1 1619654807 NEQLGMIMMWYTCD-PGRDOPGGSA-N 449.552 1.491 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1623169441 VYNXTHGOJNYTBP-QGZVFWFLSA-N 426.514 1.914 30 10 IDEE C#CCN(C(=O)Nc1ccc(-n2ccc(C(=O)OCC)n2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1626851906 KQNQIPNEXRUECV-HNNXBMFYSA-N 448.476 1.842 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2CC(C)C)CC1 1636479457 BOCMBFCCFCYVLP-FGZHOGPDSA-N 446.617 1.393 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1642387727 AGGBGJZGJFFEIN-SFHVURJKSA-N 429.542 1.612 30 10 IDEE C#CC1(F)CN(C(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)C1 1644619415 ZICBBXPZQSXSOL-UHFFFAOYSA-N 442.285 1.933 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCNS(C)(=O)=O)c1 1689868550 JWGPGAQWUVRJOO-OAHLLOKOSA-N 432.550 1.397 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1689978468 WEECKQSIAQGPON-INIZCTEOSA-N 428.518 1.352 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689984882 XMHMEKKIBWPHIJ-GDBMZVCRSA-N 437.953 1.903 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1689989515 GJEVACREQVBICS-MOPGFXCFSA-N 444.557 1.856 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1N1CCOCC1 1690092713 SBAURWWVEJVPEG-UHFFFAOYSA-N 440.548 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCCc2ccccc2)CC1 1690122113 GSUMAAGJFTZSCY-OAQYLSRUSA-N 436.560 1.634 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690470887 OBLQBAQTHSDPNR-GJZGRUSLSA-N 428.559 1.569 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)COC1 1690558620 WMWZQIDWPJTXJH-MRXNPFEDSA-N 444.561 1.989 30 10 IDEE Cc1nn(C)c(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1693398672 DZZOZOLKHRIISS-QGZVFWFLSA-N 431.566 1.709 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1694947980 KLQMEHVPVOHSGH-NRASPWIFSA-N 430.509 1.661 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1695408695 IMZKTNSDDLGLKR-LJQANCHMSA-N 448.535 1.636 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705533556 YKPANXFJLFJWFY-OXQOHEQNSA-N 432.550 1.079 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1705571396 ZEEDWYBXKHTPQV-SFHVURJKSA-N 449.577 1.480 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccnc(SC)c2)CC1 1705634799 JKRJUFCYZZUVKB-QGZVFWFLSA-N 430.578 1.923 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705664807 BQEZHMQKNKASPS-UWJYYQICSA-N 435.594 1.777 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cnn(C)c1 1705680487 BUROTKJVAOFFAC-GFCCVEGCSA-N 446.375 1.557 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705906033 PUMGJFODYFTHDJ-IBGZPJMESA-N 436.520 1.360 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NC)C1 1705915105 AIAOMMFJEARYNJ-VGSWGCGISA-N 435.569 1.872 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1ccc(C#N)o1 1706115348 IJWRGHROUMRERY-UHFFFAOYSA-N 434.504 1.909 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1708278562 HPMGJGRGUUUSMN-ZJBJCVSYSA-N 427.505 1.741 30 10 IDEE CSC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1712753621 FIIPVUPXLIQVMB-OAHLLOKOSA-N 433.559 1.973 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1722294339 GVQYFQPTCFWWBC-HKUYNNGSSA-N 425.537 1.716 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1722295801 YHWOVBWYCWQEMQ-HNNXBMFYSA-N 426.546 1.766 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N1CCOCC1 1722341628 KUKKZAHNVKWUIM-QGZVFWFLSA-N 428.562 1.719 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722367788 XUJCXPPVYNTLHU-BHIYHBOVSA-N 429.546 1.316 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(CC(C)C)C1 1722418765 BUXVBLVHRPYFBA-HXUWFJFHSA-N 430.597 1.968 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1722423313 ZBIVLGBKQRWMPQ-NOVUIFNWSA-N 429.521 1.919 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1722427961 ADPZWICCUYKCLI-AWEZNQCLSA-N 439.442 1.789 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1722438233 UFNKZTOFKCVLGN-GOSISDBHSA-N 429.546 1.011 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722481559 CPJPPAKWKQJLJX-GOSISDBHSA-N 448.325 1.996 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1722680585 RGQGACSMQXULMI-KRWDZBQOSA-N 444.561 1.590 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722736402 WHNZKVHGUGCCPU-UHFFFAOYSA-N 429.594 1.906 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1723017170 GDTGTPJQSQJQDO-UHFFFAOYSA-N 435.575 1.599 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1730892846 XPGYBFFUMFIGJR-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1740549683 GNCQMHNOXKDJCA-WMZOPIPTSA-N 433.553 1.909 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1740552485 OFSJDWKFCHFWQC-GJZGRUSLSA-N 446.520 1.469 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCS(C)(=O)=O 1740581853 HHRABEWIAFFLBM-UHFFFAOYSA-N 438.575 1.633 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624121 COBWFBQBNJIFAW-WSTZPKSXSA-N 443.573 1.563 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1740628366 XHJJWPJSFXJZMI-QZTJIDSGSA-N 436.578 1.647 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1740653668 UBXWPVAVXSUADO-INIZCTEOSA-N 435.475 1.523 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740759852 LZJCPIWXKJPYAD-JPAWQOSXSA-N 441.532 1.605 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740961195 OIJUWTVEZKNRFM-KRWDZBQOSA-N 443.939 1.381 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC)CC1 1740969309 MVDRGLXGOJOPQU-GOSISDBHSA-N 438.532 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)cc1 1740991319 TVGQHOUQZMDPBG-QGZVFWFLSA-N 433.534 1.475 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1741132135 WZZOMJLEYXKYAV-RBSFLKMASA-N 443.474 1.478 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1741886648 SGJRJIMPCCUXOC-PBHICJAKSA-N 444.561 1.601 30 10 IDEE CN1CCN(CCn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1748066922 DVZQKUVTVGJCPW-JOCHJYFZSA-N 426.544 1.732 30 10 IDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748773145 SNYVEYRCIMXJCB-KSZLIROESA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1748814761 IXLDWOCXIHLUAN-RDJZCZTQSA-N 449.483 1.182 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748819734 SLJPCHCBXBLELQ-IBGZPJMESA-N 428.558 1.719 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1748989909 RMNWUUHWTDBLCK-GOSISDBHSA-N 441.532 1.611 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc(CC)n2)CC1 1749010414 RNMPMXCRHAOFGO-MRXNPFEDSA-N 441.561 1.262 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1749010575 NIKHTUYLAGHWRU-XMMPIXPASA-N 434.544 1.698 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749115998 YARHQGGNQBCRKI-KSZLIROESA-N 431.537 1.885 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749230039 TVLSQUXHSWQWCX-DLBZAZTESA-N 444.540 1.297 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749376520 LCMIFPGMTNENFW-IAGOWNOFSA-N 430.484 1.805 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2OC)C1 1749707484 FUNHSMNEIULHED-HOTGVXAUSA-N 428.493 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1 1749735743 VVZAIVLIUXQLFC-CYBMUJFWSA-N 438.522 1.017 30 10 IDEE COCCOCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750095442 ASWZJFYLIJVRFM-LJQANCHMSA-N 441.536 1.428 30 10 IDEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1750222846 YKILYYNYVKVYEY-INIZCTEOSA-N 439.545 1.105 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1CC(=O)N1CCN(c2ccccc2)CC1 1760163713 ADMAGZFAGCXEBE-LJQANCHMSA-N 440.548 1.420 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1cccc(C)c1 1760174697 GZZZRDGDFKCQIK-MJGOQNOKSA-N 431.562 1.793 30 10 IDEE 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COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732669706 OQVHQXFAJKAGRK-HQQUCIOCSA-N 435.502 1.251 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCN1C1CC1 732706447 JZSCVRCCRCLHBI-GOSISDBHSA-N 436.541 1.843 30 10 IDEE C[C@@H](CC(=O)OCC(=O)Nc1ccc2c(c1)OCO2)/N=C1/NS(=O)(=O)c2ccccc21 745498531 XQKFJVMRDISFSQ-LBPRGKRZSA-N 445.453 1.414 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1CCN1CCOCC1 747806372 BYBOAHPMUCWPDS-UHFFFAOYSA-N 443.532 1.331 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)n(-c3ccccc3)c2C)c1=O 758079874 TXKQLDZXKWTQKH-UHFFFAOYSA-N 442.544 1.732 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)cn1 772276643 DZIHIAHPTAUFIP-SFHVURJKSA-N 432.505 1.772 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 779870686 WQEITFGMWSAQKW-LJQANCHMSA-N 430.534 1.209 30 10 IDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCOCC2)cc1 789968306 VLAAVBMCJFAXAE-INIZCTEOSA-N 441.561 2.000 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 792035168 WWGCXXJSESCVNX-IBGZPJMESA-N 448.539 1.880 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 809889981 QVDPRAFFRDRTOX-VFNWGFHPSA-N 432.525 1.489 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)s1 917776490 ZNOMOWGCOUYHJS-UHFFFAOYSA-N 426.498 1.585 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 921163843 WRNUFHNTIWHDCU-MRXNPFEDSA-N 444.513 1.694 30 10 IDEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1cccc(F)c1 1084533806 WFSRMNIMCDCYSJ-UHFFFAOYSA-N 446.424 1.922 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Cl)c(Br)c(OC)c2N)CC1 1140133385 YWDXALCNCDVXKY-UHFFFAOYSA-N 443.729 1.201 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](n2ccnn2)C1 1142658736 BRCGCOVBOPOVOW-INIZCTEOSA-N 430.534 1.741 30 10 IDEE CC(=O)NCc1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1278854227 BAPGCKIYJZPFPJ-FQEVSTJZSA-N 433.468 1.716 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 1286385888 QOQZXMQGIBJMPE-KRWDZBQOSA-N 435.594 1.067 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1286422031 IMJHSDAAKHPZGZ-ZUEZHPSSSA-N 430.549 1.712 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1286472320 GLVKIJNIMGVYIX-FGZHOGPDSA-N 445.589 1.655 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCC(C)(C)C2)CC1 1286492790 JAGUUWWWBIZWBT-HXUWFJFHSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OCC)CCOC1 1286513118 QVLUEXAOVVJDEV-NRFANRHFSA-N 443.577 1.413 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286712027 WWHWVYHDFNBOCR-NRFANRHFSA-N 426.525 1.757 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC12CCOCC2 1286727612 VNVBNDLCKLKVEF-HOTGVXAUSA-N 425.555 1.050 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)C 1286795383 JAPZWPVEYDDBTA-QGZVFWFLSA-N 426.521 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286818193 DGQJKTXZYFSMBH-OXQOHEQNSA-N 435.550 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286821987 XPCBUUYUNPKECM-CABCVRRESA-N 427.571 1.791 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286918968 VXYILJSGIPMUTE-XDOYNYLZSA-N 449.515 1.576 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1287262799 YZEPXLQYCRYTFZ-MMYRVIJDSA-N 427.509 1.238 30 10 IDEE CCCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1294694958 WSYFWFVCJGAHRQ-PMACEKPBSA-N 442.612 1.857 30 10 IDEE CCOCc1nnc(N2CC[C@@]3(CCSC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297188854 PKYYQYWTNATXED-CECJQHFESA-N 432.550 1.674 30 10 IDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1298022026 YRNZDCFLZCFDBH-KSFYIVLOSA-N 431.489 1.785 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300488541 FDIOACOYQJOVED-QGZVFWFLSA-N 449.964 1.704 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300649444 MZBGVLIPNVIXBJ-NRFANRHFSA-N 432.521 1.559 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2n[nH]c(C)n2)CC1 1300683051 VTLYTCAPSZPRIO-UHFFFAOYSA-N 447.547 1.572 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)N(C)CC)CC1 1300685403 MPMVZUBEZUINAQ-UHFFFAOYSA-N 432.532 1.569 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(SC)CCN(C)CC2)CC1 1300692230 ACZCBGBEJZREQI-UHFFFAOYSA-N 425.606 1.923 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1300876096 RPIBMKJBBMJQFJ-PMPSAXMXSA-N 427.571 1.485 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)CC1 1300895004 KUXJOTJGACPWPL-ANULTFPQSA-N 449.596 1.752 30 10 IDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1301218922 DQCYPVCKRWZUBX-UHFFFAOYSA-N 430.570 1.953 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1305639593 ALLGMHYSTDXKLF-GJZGRUSLSA-N 445.549 1.303 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1305789239 DDNAVGQXKIDBCS-IBOUEWTGSA-N 430.553 1.866 30 10 IDEE COC(=O)c1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)[nH]1 1307572321 YLORFJZTRJSAHM-UHFFFAOYSA-N 430.486 1.171 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 1308066276 VOBZLQNLSGLXJE-UPVQGACJSA-N 427.593 1.295 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1314534405 KLHMHKXQGZWZSI-FQEVSTJZSA-N 439.582 1.883 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(N(C)C)CCSC2)CC1=O 1314925482 DPPSIXIQXSVQBF-OAQYLSRUSA-N 425.562 1.532 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3sccc3CC#N)CC2)c1 1352497489 MMRUKDDBRGAUSL-UHFFFAOYSA-N 439.540 1.809 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)NC)CC1 1358929251 VURNTHCEJWYOOB-UHFFFAOYSA-N 436.564 1.828 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)c1cccc(O)c1 1358982042 HLEUNRJGYDCBGD-UHFFFAOYSA-N 445.527 1.738 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1359052409 FAXZHWRHOIZUIY-HNNXBMFYSA-N 429.546 1.996 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359126394 OAMQPJRVYUDBEU-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)CC1 1359165288 MAPQBLNSCSKZMH-GOSISDBHSA-N 429.546 1.678 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1359260594 JFYLZCNZPSBFIM-INIZCTEOSA-N 436.513 1.110 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCN(C)C1 1359282447 AXZMKOMYLISUDA-QFIPXVFZSA-N 425.537 1.222 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359287725 SBLBGZJEUYQVNN-RRFJBIMHSA-N 435.481 1.887 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(O)cc2)CCOC1 1360348046 RLILWIROPPJHAB-SIKLNZKXSA-N 427.505 1.996 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1451327179 MALNGEPWKYTBEL-HUUCEWRRSA-N 444.550 1.260 30 10 IDEE C#CCN(C(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1455812414 IGUJZRXAPIYLCZ-UHFFFAOYSA-N 441.488 1.741 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1456477199 CNWYKZZVMQXOHW-OAHLLOKOSA-N 440.525 1.730 30 10 IDEE N#CCC(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1460123543 KLOJFRZFCBLTPQ-QGZVFWFLSA-N 438.532 1.414 30 10 IDEE N#C[C@@]1(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)CCCOC1 1463710731 RAOXMZFLDCPQPB-IBGZPJMESA-N 440.422 1.988 30 10 IDEE Cc1ccc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)cc1S(=O)(=O)NCC#N 1472325385 MKCRUVATNRRRDU-UHFFFAOYSA-N 434.562 1.250 30 10 IDEE Cc1cc(C)n(CC2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1492759093 VWLDUKHPGUQZNR-MRCUWXFGSA-N 438.536 1.843 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1 1503277042 HPDCUMOMJHDRHA-FQEVSTJZSA-N 431.566 1.723 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1503280672 QQHLTANFYNDFQB-QFBILLFUSA-N 443.577 1.429 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)C1 1503680664 YBKRKMQUQRTWTP-KUHUBIRLSA-N 447.337 1.503 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CCO1 1504736926 XDUHASDEPLBOJV-OAQYLSRUSA-N 438.532 1.842 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C 1504883745 POZPCMSEWUPIQQ-UHFFFAOYSA-N 438.330 1.501 30 10 IDEE CS(=O)(=O)NCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(C#N)c1 1505153363 UDHSPDCKWSEXJH-OAHLLOKOSA-N 448.459 1.886 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507630809 IBVZGHSJPLZYGF-OALUTQOASA-N 435.594 1.139 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507633747 VFQYELHDZWUGDX-LZJOCLMNSA-N 436.578 1.350 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1cnccn1 1507804617 HEHLZHATMCSEME-UTKZUKDTSA-N 425.537 1.851 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1508040098 SQXOHRWSHJHYTF-AVRDEDQJSA-N 446.573 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)CC[C@H]1C 1508144874 IWNRDIVREHPZEM-ARFHVFGLSA-N 430.596 1.406 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1508389679 MZVURXLKMJQYCQ-UHFFFAOYSA-N 430.534 1.356 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1508420780 CITPSCLGMLIBNQ-ZBFHGGJFSA-N 438.458 1.984 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1510370371 JOHDTVVZAKFIMF-XOBRGWDASA-N 429.456 1.393 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1CCC[C@@H]1NC(=O)NC1=O 1517104971 CAXHQKFXMZOFML-SFHVURJKSA-N 430.472 1.836 30 10 IDEE CCOC(=O)Nc1ccc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)cc1C#N 1536351692 SWYFMNAZZGCGSI-MOPGFXCFSA-N 440.460 1.787 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1539012373 FVMIHUOGQZXTNM-MAUKXSAKSA-N 433.534 1.017 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539441113 KZVKOWGIWHHBLT-UZUQRXQVSA-N 441.532 1.257 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539453603 NAGFWOMEQMJTOJ-GOSISDBHSA-N 439.564 1.932 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(OC)CCCC2)CC1 1539476590 BZODUUNZXQVIRY-KRWDZBQOSA-N 428.537 1.154 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nccn2C(F)F)CC1 1539476961 IFLWHWWTUAXUGB-UHFFFAOYSA-N 443.462 1.284 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN(C)CC(F)(F)F)CC1 1539829084 TWPWENUVLXSDMT-AWEZNQCLSA-N 438.520 1.929 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C(C)C)CC1 1539889751 BTQLLLBBABOGNQ-SFHVURJKSA-N 440.614 1.354 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540872295 JRGMFNPNJDUWKG-CYBMUJFWSA-N 439.488 1.073 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1541733838 WQWUVPAGBGVHKA-HDMKZQKVSA-N 427.452 1.472 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1541803935 OEAMTTAZKBLEKL-OPAMFIHVSA-N 437.552 1.669 30 10 IDEE CCSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1552622699 VMWLZIKSQSUOIF-CABCVRRESA-N 430.600 1.493 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1554371034 FIQKYDKPPCNPKZ-MSOLQXFVSA-N 435.532 1.836 30 10 IDEE COc1cc(C)c([S@](C)=O)cc1OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1557110810 RPUJSLSAJHOOPJ-QYSRSOONSA-N 436.511 1.885 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1557965743 MCKZZIDHTUWDDO-KRWDZBQOSA-N 438.550 1.841 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C[C@H](O)COc3ccccc3C#N)CC2)C1 1559973190 GQJAEBBTZZPECS-ICSRJNTNSA-N 443.544 1.953 30 10 IDEE C#CC[C@@H](COC)NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1587392954 XOORMXVQQPEHJE-INIZCTEOSA-N 430.530 1.311 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC(C)C)CC1 1588791304 RMTVROPILWAZOT-UHFFFAOYSA-N 438.532 1.386 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)CC)CC1 1588891520 PSXCEYLRJPNHSM-FGZHOGPDSA-N 433.553 1.057 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1593763102 ADEVIHVRWQRYFS-FQEVSTJZSA-N 446.596 1.542 30 10 IDEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594697722 DUQHAYFHIUYGOB-UHFFFAOYSA-N 443.939 1.887 30 10 IDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1596141647 CRFIXBNIPRGRJY-UHFFFAOYSA-N 439.509 1.948 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 1597103307 NMVFIKUFGIUFLH-UHFFFAOYSA-N 441.488 1.957 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1 1613897331 AEHJVXYRQMWVJB-JLTOFOAXSA-N 435.504 1.797 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC(C)C)CCOC1 1616253208 LSMIWISAYDFHEF-DENIHFKCSA-N 432.569 1.922 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC(C)C 1620101659 XFJHRGDNCYZAFJ-KXBFYZLASA-N 442.520 1.962 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1622498874 YWHOSWLAWXZDSZ-UHFFFAOYSA-N 445.872 1.133 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cc[nH]n1 1622976938 KABLVLODUUEBPC-QGZVFWFLSA-N 441.488 1.043 30 10 IDEE COCCOCCc1ncc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[nH]1 1630351550 UHUOYVLNBBZRIL-LYBHJNIJSA-N 449.533 1.680 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@H]2CCC3(C2)OCCO3)nn(-c2ccc(F)cc2)c1N 1633671511 MRMOTGPKPBIIBY-HNNXBMFYSA-N 428.468 1.993 30 10 IDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](O)C(N)=O)c1 1634601617 QMPWHHRHESLUBE-KRWDZBQOSA-N 437.905 1.297 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCC4(CC3)NC(=O)NC4=O)CC2=O)cc1Cl 1640332875 DCURQWKRYHIJGU-MEVBUXLWSA-N 429.864 1.202 30 10 IDEE C#CCN(CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)CC(=O)OC(C)(C)C 1643725639 HXTZIAUPIFZQIW-UHFFFAOYSA-N 428.468 1.894 30 10 IDEE CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C[C@H](O)c1cccc(C#N)c1 1643725749 LMZCUIRCGQBPHO-RDPSFJRHSA-N 449.511 1.498 30 10 IDEE CCCNC(=O)Cc1csc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1644020950 HZBTVQGLQPSMFK-LBPRGKRZSA-N 449.558 1.668 30 10 IDEE N#Cc1cccc([C@@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C(F)(F)F)c1 1644215081 UCYZKEQEMZUDBY-MRXNPFEDSA-N 425.388 1.851 30 10 IDEE N#Cc1cn(C2CN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)C2)c(=O)nc1O 1648790364 GMANLQDADRKQOW-UHFFFAOYSA-N 427.367 1.770 30 10 IDEE Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)ccc1C#N 1656956396 GVAXKTVOADKHFL-NRFANRHFSA-N 426.542 1.530 30 10 IDEE COc1cc2c(c(OC)c1)N(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CCC2 1659015660 ANNBUIHQPRRYQZ-UHFFFAOYSA-N 425.489 1.973 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C(=O)OCC 1663611030 HHVDYPVFHKLQJB-CQSZACIVSA-N 442.918 1.940 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1664414239 JTCDHSKHXDPHSC-UHFFFAOYSA-N 425.576 1.189 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)CC1 1671199662 GGRXIHAKMWEYDD-UHFFFAOYSA-N 436.925 1.451 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(OC)cc3)CCCCC2)CC1 1677292556 GIBOPQAWFBFBSU-UHFFFAOYSA-N 448.589 1.692 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)cc21 1680802031 ARXYDOMMNQPBMW-UHFFFAOYSA-N 443.533 1.803 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)CC1 1680943344 CJSXTOJXEYOYMP-CQSZACIVSA-N 432.468 1.431 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCc2cnc3c(Cl)cnn3c2)C1 1681435492 WUXXKGKJNNTXOZ-DZGCQCFKSA-N 433.900 1.983 30 10 IDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 1683138603 UUHSHHJVJHOSPL-UHFFFAOYSA-N 449.346 1.776 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1689979768 GWQQUFORPOUCTG-DLBZAZTESA-N 436.534 1.579 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1690043717 LHQMOALFCQAUSO-UHFFFAOYSA-N 441.499 1.324 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCO[C@@H]2CCOC2)CC1 1690119420 FAZFRLFBRHXVDZ-LJQANCHMSA-N 425.533 1.905 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN2CCC)CC1 1690134915 KSRNBPGTKGEFCW-ACRUOGEOSA-N 430.597 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CC2)CC1 1690144269 RXXIQSUMEAJARB-SFHVURJKSA-N 428.537 1.012 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[C@@H](C)C1 1690672421 RDTDOKRPYIBIMP-ULQDDVLXSA-N 448.568 1.981 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1690680207 LYLYERVRCHATJD-QZTJIDSGSA-N 445.545 1.466 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1690714485 NFZMUMVUXIDAEE-SLFFLAALSA-N 446.596 1.854 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690838899 XVXXJGDKGYXIPK-ZZEZOPTASA-N 439.476 1.041 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H]1C 1693831148 GYTAQQHCNBUEMX-HZPDHXFCSA-N 432.550 1.712 30 10 IDEE COC1CCN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1697668210 GNODEYSYHGIYIL-JOCHJYFZSA-N 447.559 1.732 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1705477742 RMCWNIRSHDYBFC-HOTGVXAUSA-N 431.566 1.390 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1705494621 CLILVLRMXDFZQH-FUHWJXTLSA-N 429.546 1.345 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1705542827 OYFVWSYCYJUHHH-OAQYLSRUSA-N 447.561 1.367 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1705558789 IEMZHHWSGJMFLO-QGZVFWFLSA-N 445.545 1.100 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1705563954 IJYADMXFAYCTKG-SFHVURJKSA-N 428.562 1.172 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1705628292 CDJDFDYPNOEDFG-AWEZNQCLSA-N 434.547 1.024 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(F)cc(OC)c2)CC1 1705648136 OHSHBIXIWGJIDT-GOSISDBHSA-N 441.507 1.944 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705879907 OYPXZUGBFKMNJQ-AVRDEDQJSA-N 433.553 1.881 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1711015983 VTDKDOCZGOFFBV-NHCUHLMSSA-N 440.548 1.779 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1711165919 GYGNVCWPOXXDRA-UHFFFAOYSA-N 448.549 1.201 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1712163664 VAHSWKXUBSINRO-ZWKOTPCHSA-N 427.509 1.384 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722319202 IZOFNXBMYCCRGU-FQEVSTJZSA-N 435.532 1.834 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)NC)c1 1722383556 UKHDWKXKCSFCOT-UHFFFAOYSA-N 437.507 1.997 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(OC)c(OC)c2OC)CC1 1722444145 UZNXNIKAFXPOIK-UHFFFAOYSA-N 441.532 1.821 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OCC)CC1 1722693317 JZCWXPWNVDSIRA-UHFFFAOYSA-N 428.493 1.534 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1722699401 HJBPHXSTIQWTML-UHFFFAOYSA-N 434.976 1.414 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C(=O)NC)cc1 1722705628 GBELRAKZVHURLQ-QAPCUYQASA-N 426.521 1.661 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1722728581 XPKRQDIHEJHMOQ-HNNXBMFYSA-N 442.545 1.694 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1729304154 GPRTVONFZYROBN-LJQANCHMSA-N 434.504 1.397 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(CC#N)CC2)n1 1729605522 UFZIKRGOTWEIDJ-UHFFFAOYSA-N 445.329 1.748 30 10 IDEE CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1731008738 SPFMDYZBADUHDV-UHFFFAOYSA-N 444.561 1.415 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](C(F)F)N1CCOCC1 1740615973 PCRHHJGILVCAPD-BBWFWOEESA-N 427.496 1.428 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1740629017 YSJBKJBXXAHBHO-JENIJYKNSA-N 443.504 1.886 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1740688785 JPCCZNVDJWKBOX-PMACEKPBSA-N 428.581 1.721 30 10 IDEE C=C(C)COCCn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740799528 OJMYDUGPNRLEKN-IYBDPMFKSA-N 434.541 1.578 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740964324 NNZAFSGTGPHTPI-UHFFFAOYSA-N 432.447 1.012 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740965679 RCWRWUHGHQCMJW-AUSIDOKSSA-N 446.596 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(CN2CCOCC2)CC1 1740985596 JPXLPUAGBHNCSC-SFHVURJKSA-N 439.626 1.941 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCNC2=O)CC1 1741005821 SCSIFAJONGEAJI-UHFFFAOYSA-N 433.582 1.314 30 10 IDEE CC(C)(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741239801 HHAJBTUYSPUFFP-NVXWUHKLSA-N 436.582 1.172 30 10 IDEE COC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748367444 YYMKXVUOBKQTFF-QGZVFWFLSA-N 428.541 1.795 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1748811168 COAVKWLACPTOFM-OAHLLOKOSA-N 441.517 1.155 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccccc2OCCN(C)C)CC1 1749014059 DKAFNVTYGOEDSV-UHFFFAOYSA-N 438.576 1.795 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1749033971 SZWUHGAEPIINPI-UHFFFAOYSA-N 438.601 1.960 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749039943 GILUBNYWLPKKIB-SFHVURJKSA-N 448.618 1.396 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1749342530 HZZXJVDCZTYFST-SFHVURJKSA-N 446.533 1.526 30 10 IDEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749406113 AAIXJUPQSYQTSF-HXUWFJFHSA-N 436.560 1.957 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749676004 ANDBDVFEOGTESP-XOBRGWDASA-N 432.550 1.320 30 10 IDEE C=CCNC(=O)Cn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1749681769 IKVPURHUBPRZQW-VXKWHMMOSA-N 449.552 1.007 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@]1(OC(C)C)CCOC1 1749681854 JZNPZNHJWKHCDQ-AVRDEDQJSA-N 443.552 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749726739 CMWAHVIORWSJRM-SFHVURJKSA-N 431.562 1.898 30 10 IDEE COCCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749727809 NTLRWPRUFBFTCO-UHFFFAOYSA-N 435.536 1.541 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749730529 HLXBFXHYABZPKZ-MRXNPFEDSA-N 449.581 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1749731844 MFGAJACYYCOFHB-OAGGEKHMSA-N 441.623 1.940 30 10 IDEE CS[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750244526 WREVIPFFNVLJGO-ZDUSSCGKSA-N 427.534 1.687 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)CC1 1760254811 LPKSLWLRYZVJLJ-UHFFFAOYSA-N 448.369 1.659 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1760306629 HCLCIZBEQULSCP-CQSZACIVSA-N 437.342 1.729 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1760317758 AHFAOIRTBKVCIJ-WIYYLYMNSA-N 439.564 1.579 30 10 IDEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760438220 BFGVQVMOYNMBHO-IBGZPJMESA-N 432.569 1.467 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760452917 LLWUDZDAHGHLEW-UHFFFAOYSA-N 426.521 1.652 30 10 IDEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1761751766 ZWZCTPUTOZOESA-BONDDZEJSA-N 425.424 1.815 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)on1 1762682247 ANJMLRZBFUPSJN-UHFFFAOYSA-N 434.504 1.372 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCC1 1768659572 FJWVWAROHFEFLD-SFHVURJKSA-N 429.546 1.993 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCCC2(C)C)C[C@H]1O 1769452104 MEYCCPCIEKJNGQ-GUDVDZBRSA-N 439.516 1.992 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1772564657 QCCZOYQLITVOHG-WOJBJXKFSA-N 445.589 1.876 30 10 IDEE CN(C)S(=O)(=O)CCNC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 1849972607 UONCIMHHDALMPR-UHFFFAOYSA-N 433.509 1.470 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl)[C@H]1CCN(C)C1=O 1852960002 OBBMCMYKSCDLGL-HOTGVXAUSA-N 425.938 1.738 30 10 IDEE COc1cccc(C#N)c1OCC(=O)O[C@@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1853071138 UAHCLKNOBPDWLK-MOPGFXCFSA-N 449.463 1.501 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@H]1C 1854259167 WIBQGQGTMFMCKD-RHSMWYFYSA-N 425.938 1.738 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1CC(=O)N(C)C1 1854750059 KMEDKIBLJNPGFH-INIZCTEOSA-N 431.514 1.333 30 10 IDEE C=C(C)CN1CCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)C(=O)C1(C)C 1856064682 VQVPOZCVGYBEJC-HNNXBMFYSA-N 434.562 1.371 30 10 IDEE CC1(C)C(=O)N(C(=O)Cc2ccccc2Br)CCN1S(=O)(=O)CC#N 1856152460 GAHFBCSEIPCGAK-UHFFFAOYSA-N 428.308 1.294 30 10 IDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)CC1 1857223675 NIHYJRPGYLCGGX-KRWDZBQOSA-N 435.521 1.990 30 10 IDEE N#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)CC2)c1 1858625616 VSZRTNOWOPVYQY-UHFFFAOYSA-N 427.442 1.943 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCc4c(ncn4C)C3)CC2)CC1 1889281576 NQSGGRLZEUMKGZ-HXUWFJFHSA-N 427.593 1.174 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243411908 CGWJZFKXAQOXMR-NWDGAFQWSA-N 444.384 1.991 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)C3CNC3)c2)OC1(C)C 2247882374 NXIRFUGEXWHZPH-UHFFFAOYSA-N 429.351 1.544 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405210 SCIIBNFKIPPSRB-GFCCVEGCSA-N 441.359 1.598 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248443426 YTVLGFXENLBEFH-AWEZNQCLSA-N 440.371 1.939 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2250808567 YJEDZTAKBZNJFX-UHFFFAOYSA-N 430.257 1.355 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H]1OCc1ccccc1 2255622397 ZDEQFLSFGGAHJF-SJORKVTESA-N 426.326 1.934 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(NC(=O)OC(C)(C)C)CC1 2255649801 XCTRSXCTSQEIEU-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255818287 JDDDZSWJMPIJOY-OAHLLOKOSA-N 438.330 1.879 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2255886493 JKOUQFLMYSOXBE-HUUCEWRRSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256620843 NOYBZAFWNVBKNM-QGZVFWFLSA-N 432.326 1.714 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267192529 SAJNCRWTZWTCLP-WCQYABFASA-N 444.263 1.391 30 10 IDEE Cn1nc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267547610 MOCQZCHDNMJOGF-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267599592 RQOUUYBKVCYMGK-TZMCWYRMSA-N 443.275 1.996 30 10 IDEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709221 XXTXTXNCTZLITL-XMMPIXPASA-N 428.794 1.964 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2268649004 ABJWHBWRZGALQG-UHFFFAOYSA-N 446.357 1.872 30 10 IDEE CCOC[C@@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312052 QJHASNGOMIIERZ-JTQLQIEISA-N 425.765 1.376 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2312854455 IKFBRUQGKFPWNT-VTJXTGGHSA-N 440.346 1.583 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N)C(N)=O 2317130148 WKXDAXHTGXLXLE-MRXNPFEDSA-N 431.298 1.615 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2337196457 LDYTUPWVSPTSJH-SFHVURJKSA-N 435.337 1.569 30 10 IDEE CC(C)C(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 16494611 IAMAYTLTJNIOGO-UHFFFAOYSA-N 432.546 1.286 30 10 IDEE COc1ccc(Br)cc1/C=N/Nc1nc(SCC(=O)NCCO)n[nH]1 59819227 BSPOKZPMUUHIIG-REZTVBANSA-N 429.300 1.222 30 10 IDEE Cn1c(=O)c2c(nc(N/N=C(/C(=O)O)c3ccccc3)n2CCc2ccccc2)n(C)c1=O 104305907 ILEOUCYZPIADSD-KOEQRZSOSA-N 446.467 1.577 30 10 IDEE CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(c2cnccn2)CC1 434421899 OBTMMNCANWPYPH-FQEVSTJZSA-N 433.516 1.760 30 10 IDEE Cc1nc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)sc1C 434771348 BAYNHJVZIQKOQR-UHFFFAOYSA-N 433.515 1.103 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)CC1 438120715 WXDSVBBFGZVQEV-UHFFFAOYSA-N 445.589 1.636 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 445732195 GYDASHYOPMZDSS-KRWDZBQOSA-N 435.527 1.698 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 447134752 WIDUYWPORMBNGY-DJIMGWMZSA-N 428.532 1.072 30 10 IDEE CN(CCC#N)S(=O)(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 474391604 JGAOFKBZXNBFQV-IRXDYDNUSA-N 436.534 1.350 30 10 IDEE CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 486047800 XGZNTODXCGLBRT-SFHVURJKSA-N 447.538 1.626 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 486621096 QMCXDUWOJZPYLF-KRWDZBQOSA-N 445.497 1.663 30 10 IDEE COCCc1nnc(-c2cccc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c2)o1 489536552 FFUYPBIPNSZGSN-OAHLLOKOSA-N 433.472 1.938 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 508945484 LXDAJDYQSZYBDG-QGZVFWFLSA-N 439.582 1.727 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(F)c1 609257012 PYXGSTNYSYXBCV-UHFFFAOYSA-N 430.461 1.737 30 10 IDEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609497137 YFTYEBLCPMXOTB-QGZVFWFLSA-N 442.497 1.511 30 10 IDEE C[C@@H]1O[C@@H](OC(=O)C(F)(F)F)C[C@H](NC(=O)C(F)(F)F)[C@@H]1OC(=O)C(F)(F)F 642881321 NNJDNZHDVGVCLD-OMMKOOBNSA-N 435.195 1.748 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671569 MAGOOJAKCRJYQI-QGZVFWFLSA-N 434.521 1.609 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 732056100 KKPYZGQLFYJEEV-KTKRTIGZSA-N 429.484 1.843 30 10 IDEE N#C[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732651033 RAMCMSVOUOHKES-FQEVSTJZSA-N 430.574 1.993 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732669203 ILMNKLVHPNTEOJ-INIZCTEOSA-N 426.564 1.078 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(OC(F)(F)F)cc1 741339370 FZCADTDRLHMKAR-WUKNDPDISA-N 427.335 1.983 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@@H]1CCS(=O)(=O)C1 741674554 GVSOUDXHTUAPHJ-ZWKOTPCHSA-N 449.598 1.587 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2OC)c1=O 748065325 LSNMQUYVDVXMJE-UHFFFAOYSA-N 428.510 1.446 30 10 IDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCC(=O)N1CCOC[C@H]1C1CC1 766066453 YAZYLDCILNZKNS-ZDUSSCGKSA-N 445.419 1.950 30 10 IDEE C#CCN(C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)[C@@H]1CCS(=O)(=O)C1 774168413 XAEVBIVECAHEHG-OAQYLSRUSA-N 438.553 1.976 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCSC2)cn1 794451400 VLVQJUTUBOJBPY-CABCVRRESA-N 437.591 1.595 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOC)CC1 802470682 UYEIYIKKFYPUNR-UHFFFAOYSA-N 435.532 1.564 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCOCC1 916659250 PNBWWSYACGLLAR-GOSISDBHSA-N 436.578 1.513 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)CC2=O)cn1 1132134838 XXQPAYQBGPJQDU-SFHVURJKSA-N 437.500 1.576 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1133887352 KCCWHBUQLXQHIV-FZKQIMNGSA-N 440.378 1.764 30 10 IDEE N#Cc1ccc(OCC(=O)Nc2ccn(CCN3CCNC3=O)n2)cc1Br 1133961742 GEKKNLGWVWAIQK-UHFFFAOYSA-N 433.266 1.560 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CCO2)cc1 1134506241 ARPKDPMJUMXCTH-HXUWFJFHSA-N 441.509 1.793 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N3CCO[C@H](C#N)C3)c2C(F)F)C1 1136626128 MCNKBIGWLNSNTJ-VXGBXAGGSA-N 426.424 1.762 30 10 IDEE C=CC1(CC(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1140468119 WPCLMIIIAYIOTC-MRXNPFEDSA-N 429.583 1.930 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(CC(=O)NC4(C#N)CCC4)C3)[C@@H]2C1 1175632182 YLAILSVFKAYQQR-OAGGEKHMSA-N 433.509 1.063 30 10 IDEE C=CCN(C(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1210257366 UQPLDZXNYZLKHZ-CQSZACIVSA-N 439.538 1.882 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)nn1 1252077076 RAAKEDPDEZZBCS-GOSISDBHSA-N 432.912 1.859 30 10 IDEE C[C@@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CN(C)CCN1C 1256466404 RQQBJGLTSFKIMZ-QRWLVFNGSA-N 442.543 1.331 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1286376837 OQRIGPQJWIVHLI-KRWDZBQOSA-N 429.525 1.861 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1286407717 OYKVICGWRZTDNG-HXUWFJFHSA-N 438.576 1.585 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1286448421 UQMFUVBFQMUNRX-JKSUJKDBSA-N 443.639 1.848 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCSCCCO)CC1 1286489827 CLZPOWUVKLDVIG-UHFFFAOYSA-N 442.589 1.730 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286783019 CZFJGLPEVDBQGQ-GOSISDBHSA-N 438.532 1.847 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)C1 1286858631 CHOCTVGBHNBLFG-OALUTQOASA-N 426.525 1.127 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCOCC1 1300271995 KAYFDABPEUAIOT-OAHLLOKOSA-N 431.924 1.861 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1300362829 ALCIJFSRCGUASH-HNNXBMFYSA-N 440.529 1.519 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300482812 HHOQAPOUAYWYJK-CVEARBPZSA-N 433.534 1.441 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300492836 OWWCYNXKVYCJAN-QUCCMNQESA-N 448.637 1.056 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1300538016 MTCLVQDWWDFGMC-IBGZPJMESA-N 445.520 1.066 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1300642540 RRFQWYZBHZJHHH-ZMPRRUGASA-N 430.553 1.987 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)CC1 1300779225 RRNIJTBSTGXWCD-HKUYNNGSSA-N 445.593 1.429 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC[C@H]1C 1300805047 WKYDZKBKDUFIMP-QAPCUYQASA-N 432.550 1.569 30 10 IDEE C=CCCOCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301259401 LDKJOYDEDXVNQO-FCHUYYIVSA-N 433.553 1.628 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301489864 FJBFSGMOCZWIJN-WIYYLYMNSA-N 438.576 1.967 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCSC2(CCOCC2)C1 1301507078 VZNYQDJUQZQBFX-UHFFFAOYSA-N 428.562 1.669 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2ccc(N3CCOCC3)nc2)C1 1301566222 NUVDUJWLMFRVKS-LJQANCHMSA-N 428.537 1.876 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1302131887 XKECPAUTGXBDCN-SJLPKXTDSA-N 447.561 1.850 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1302456883 DXJNKBHEHQZUMC-CQSZACIVSA-N 440.323 1.481 30 10 IDEE CSCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302765494 PKAWTZVZDBIZMT-KRWDZBQOSA-N 440.577 1.966 30 10 IDEE CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c1=O 1313848111 AYQLHLKRBDAEDV-HNNXBMFYSA-N 447.565 1.248 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1315103037 LUNFHNNOIRMOMP-AOMKIAJQSA-N 438.488 1.206 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1Cc1ccc(C#N)o1 1316275238 KCODPVAMSULJGP-UWVAXJGDSA-N 442.520 1.820 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358895580 MAXLUAOXJFOHBY-DOTOQJQBSA-N 426.496 1.342 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1358913142 GUJRIFDUMIQRNU-ZWKOTPCHSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358955948 XIJXERHKEAOSOD-KRWDZBQOSA-N 430.534 1.567 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCS(=O)(=O)C1 1358982482 YNMOJMCJFLGNEO-LJQANCHMSA-N 426.542 1.981 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCO[C@H]2C)n1 1359027725 UJRZFYGVKFJIQW-JTSKRJEESA-N 439.520 1.296 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC)CC1 1359046732 DJEOJDPMQCIOFA-UHFFFAOYSA-N 436.516 1.731 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCOC2)CC1 1359047921 YODYASRWPFIPGF-QGZVFWFLSA-N 441.507 1.999 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359297636 WPSJOQKSAIPBMR-ZHRRBRCNSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CCC1 1359298104 NASHTPRFOGTLOP-UHFFFAOYSA-N 431.566 1.777 30 10 IDEE COC1(C(=O)Oc2c(Br)cc(C#N)cc2Br)CS(=O)(=O)C1 1437081891 KWIAHOYCMSHCPU-UHFFFAOYSA-N 439.081 1.802 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)Cc4ccc(C#N)nc4)C3)[C@@H]2C1 1455104471 DSAPGZPQNSJORS-KSZLIROESA-N 441.488 1.537 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC1 1465084971 BHXOVUQFLOZRLS-UHFFFAOYSA-N 435.731 1.720 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3ccc(C(=O)NO)cc3)nn2)C1 1467528534 XVLFSCTXLDKRAE-INIZCTEOSA-N 444.492 1.899 30 10 IDEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1468950596 COZPLSMJXXHPLZ-HXUWFJFHSA-N 433.560 1.996 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1469813942 HSPQBAFLRKGCNH-KRWDZBQOSA-N 428.510 1.951 30 10 IDEE CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCN(CC(F)(F)F)C1 1470589522 RMPFSNRBSUCROE-HNNXBMFYSA-N 432.468 1.977 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CCOCC1 1470814948 LCXYORXXUMYAFH-UHFFFAOYSA-N 444.536 1.859 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CNC(=O)c2ccccc2I)C1 1471832983 MTVWWCGHAWSSLD-CYBMUJFWSA-N 425.270 1.235 30 10 IDEE CN1CCC[C@@H](N2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2)C1 1474965923 FBZDKPBDDPZDLR-CQSZACIVSA-N 445.358 1.860 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCCC2)n1 1492753598 CSXFGFMVKGNYPJ-WOJBJXKFSA-N 426.569 1.989 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507629688 WAUQZAPGWUURCC-QZTJIDSGSA-N 431.493 1.428 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC 1507681166 TUEXDVAZDPKMDY-UHFFFAOYSA-N 446.577 1.427 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1n[nH]c(C)n1 1507688098 YXFJKJRCXFKLAX-UHFFFAOYSA-N 427.538 1.367 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](CC)OC)CC1 1507723648 PONNWQNQGZEMEC-QGZVFWFLSA-N 445.593 1.418 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@@](=O)CC)CC1 1507734007 FILRORYGZBUIEO-HKBQPEDESA-N 443.573 1.688 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1507845032 VPIZGKNCEURJIR-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OCC)C1 1508075567 YHRVLANTWRVCMV-QGZVFWFLSA-N 447.561 1.656 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508092113 OVRVFICXOLYOGG-GOSISDBHSA-N 438.532 1.669 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508094619 PNQOUCIFYZWCAD-AQKKSAQBSA-N 441.532 1.765 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1508094676 INERYNRJBQQJSL-UHFFFAOYSA-N 438.598 1.079 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC[C@H]2C)C1 1508126580 IFUQUZUFINKYIQ-FYQPLNBISA-N 435.569 1.504 30 10 IDEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1508793440 HZXOHNVDNPBSTE-GOSISDBHSA-N 447.547 1.982 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)N(C)C 1510075571 DTVLZBVAHODAFE-OLMNPRSZSA-N 426.477 1.793 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1516783818 IMDNIFWWAJDKJD-VQIMIIECSA-N 447.561 1.882 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cn1 1521072288 YDBFDLIDVCJDOM-UHFFFAOYSA-N 428.499 1.034 30 10 IDEE C=C(CC)CNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1525399905 PFAXIHFDFQDDGW-UHFFFAOYSA-N 425.489 1.137 30 10 IDEE C=CCN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)[C@@H]1CCS(=O)(=O)C1 1528605188 DNVAYVHHICHKNF-HIFRSBDPSA-N 428.304 1.732 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539224888 JSJUWXXLUVNPSM-UFYCRDLUSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539225628 PSTSSRADUVIGOZ-PKOBYXMFSA-N 429.546 1.317 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccn2)CC1 1539460050 TZMKBRGPZAVVPU-UHFFFAOYSA-N 435.557 1.663 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CC)CCOCC2)CC1 1539481340 LJOSBTBDOBAUJH-LJQANCHMSA-N 429.565 1.955 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnn(C)c2)CC1 1539487894 ANBRFLOTXUVOIM-UHFFFAOYSA-N 447.543 1.647 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539752102 BXATWDAPXPNBOX-IBGZPJMESA-N 431.512 1.942 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1540007129 YGNAMTLHHSUKNB-ZACQAIPSSA-N 427.571 1.581 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1540194750 ZLZYZWRLOUDKRM-LJQANCHMSA-N 444.561 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540867447 WOWGNQKOMSYXTL-MRXNPFEDSA-N 440.529 1.419 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1540868053 QCNGLOJVIOBBTL-MRXNPFEDSA-N 425.537 1.773 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1540899593 UDKGDQYHIPOLJR-SFHVURJKSA-N 431.562 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540904257 KUAXDDYTCKHUHE-IYBDPMFKSA-N 441.579 1.085 30 10 IDEE Cc1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1543144127 YFCLMWJBVWJYJE-LSDHQDQOSA-N 449.515 1.642 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1545061688 VDGADSYUAJLUGV-HZPDHXFCSA-N 448.549 1.282 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c1 1587522564 POWSVRQTMACJTN-UHFFFAOYSA-N 441.488 1.729 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(OC)CCOC1 1587632964 QIHXBNITSYYSEK-JTSKRJEESA-N 425.537 1.716 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1587855814 BSASUBBOOCTWRB-CYBMUJFWSA-N 446.558 1.940 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1593690052 HVMJDJMVTNAFOX-UHFFFAOYSA-N 434.585 1.558 30 10 IDEE C=CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC)c1ccccc1 1594543946 FQXKWLDRNZONHS-ZWKOTPCHSA-N 435.550 1.969 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1595466803 NDNBCPLHBYDYRQ-HNNXBMFYSA-N 428.541 1.847 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 1595489284 DZDZFWRQSMWEQJ-CYBMUJFWSA-N 433.310 1.321 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C1 1595730871 ZMSKSHNLSRGTMF-SJORKVTESA-N 437.522 1.034 30 10 IDEE CC(=O)Nc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1596321665 GVHOXOGYBLZBOA-LJQANCHMSA-N 428.456 1.947 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(O)CCC4(CC3)OCCO4)C2)C1 1596758250 ANIFIKRPFVTNLU-BATSVXPKSA-N 449.548 1.938 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1620099765 NEURZQNZOLORHA-IUVQAAGXSA-N 441.529 1.269 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(CC4CC4)n3CCSCCCO)CC2)nc1 1620350220 BSKUBJBRWVROSZ-UHFFFAOYSA-N 427.578 1.939 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)s1 1623582506 UWXRHRKCQMYMLF-AWEZNQCLSA-N 429.589 1.277 30 10 IDEE Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1625914293 GRVGKJQJZSFELN-VXPUYCOJSA-N 427.461 1.254 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)C1 1626712788 AGWGGTOBQFYEAC-QTSFNNJRSA-N 432.565 1.954 30 10 IDEE CO[C@]1(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCS(=O)(=O)C1 1627108231 LBZFNIPCABSXNY-OYNCUSHFSA-N 445.328 1.820 30 10 IDEE Cc1[nH]nc(I)c1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1627843397 QUOQVTTUCWCGEI-UHFFFAOYSA-N 436.257 1.988 30 10 IDEE CN(CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)CC(F)(F)F 1628777373 VQUNZDFXDWUFHH-UHFFFAOYSA-N 434.484 1.896 30 10 IDEE C[C@]1(C#N)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1633640967 LNNHYEKSDRQEBZ-HXUWFJFHSA-N 436.509 1.201 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 1634792122 TVVJUGBHHOHYCH-DLBZAZTESA-N 427.567 1.471 30 10 IDEE C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O 1635587605 AIJLITQYRYVLPZ-USOFNBIVSA-N 448.520 1.457 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1635607654 VLWUGUJHBYKFME-KBPBESRZSA-N 439.317 1.170 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)c1 1637296023 BJJOOWSNFGCHKV-RBUKOAKNSA-N 428.514 1.581 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1ccccc1)[C@H](CO)C1CCC1 1638952104 HZRYQVMCCHZJER-LJQANCHMSA-N 427.526 1.915 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 1639270462 XDWNKRDGTVMIOK-XMSQKQJNSA-N 439.516 1.211 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1649588736 SMEVVYFHEBJVBW-MRXNPFEDSA-N 425.493 1.315 30 10 IDEE CC(C)N(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C[C@H]1CCC(=O)N1 1653921206 OOHAGLUJJMIOBB-MRXNPFEDSA-N 440.504 1.444 30 10 IDEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCN1CCOC1=O 1660259842 CCSMXMFBHXRYKZ-HNNXBMFYSA-N 443.319 1.990 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC 1666340267 PZDUVOIQAAFJQH-UHFFFAOYSA-N 429.564 1.175 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OCCCCC)CC1 1679016555 IVBHYMPTAXMCRZ-UHFFFAOYSA-N 436.578 1.859 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)CC2)cn1 1681902036 AIVPAUYCLYZVBA-UHFFFAOYSA-N 434.500 1.457 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689982509 PBSIKROIXRXUEE-UWWQBHOKSA-N 448.570 1.556 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689989903 JNSYWOYDYPGGOP-MOPGFXCFSA-N 446.577 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1690113212 CRELKBUXOLLEGF-ZJSXRUAMSA-N 444.624 1.807 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cnn(C)c2)CC1 1690113318 GMOIVSQXNMAZMT-UHFFFAOYSA-N 443.353 1.583 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)CC1 1690124663 QNFITEJBVMCBOC-FQEVSTJZSA-N 448.637 1.057 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1690156639 ZOCDHYFXRSVQNC-SJORKVTESA-N 440.639 1.319 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1690251343 SRTKBZCWUUKYTL-PGRDOPGGSA-N 444.580 1.734 30 10 IDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690295696 JPBXBYJRGXDNHQ-UHFFFAOYSA-N 428.512 1.973 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690309738 JBMMPZSMYSWQCF-CQSZACIVSA-N 437.522 1.222 30 10 IDEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(C)CCNS(C)(=O)=O 1690649626 FUHPQOAXCXWXNY-UHFFFAOYSA-N 444.355 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1690715794 VFYQLXBTKMYJEP-HNNXBMFYSA-N 437.545 1.648 30 10 IDEE CC(C)N1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1692484372 CXROQKHXAZTFIC-HXUWFJFHSA-N 433.532 1.191 30 10 IDEE Cc1nnc(N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693516015 MHMXBNFCCUMFGL-NQKFGRBQSA-N 444.442 1.969 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705523028 JCIHKTBHWSSEGF-HXUWFJFHSA-N 429.613 1.826 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC 1705551118 GZJRTSNDLMJYKS-OKZBNKHCSA-N 449.552 1.707 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1705551194 IQBBSKGXILRJDC-OAHLLOKOSA-N 436.538 1.014 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCSC2)CC1 1705632072 HGXDRWRRLFVFMJ-QGZVFWFLSA-N 425.562 1.824 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNC(C)=O)CC1 1705646170 TZHSWTBWRZRCJC-UHFFFAOYSA-N 438.532 1.446 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1705754761 FRJKPWFCNBXULG-IIDMSEBBSA-N 430.958 1.707 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CC1 1705882953 QINJUAXLTLEICD-UHFFFAOYSA-N 434.518 1.890 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](COC(C)C)C1 1705896311 IOGOCNIIWPJRAJ-GOSISDBHSA-N 444.492 1.786 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)NC(C)(C)C 1705898268 GZIKUPONZWFEFL-UHFFFAOYSA-N 444.536 1.615 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCc1ccc(F)cc1)C1CC1 1705901428 LFQGJERFDSCNQJ-SFHVURJKSA-N 426.496 1.882 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705906511 HRSXPHITSBJAAM-HNNXBMFYSA-N 430.484 1.355 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1706073035 JVXVXTXTJDJHDN-VBKZILBWSA-N 444.565 1.312 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1706933289 BERYWVQBIJFEOC-FQEVSTJZSA-N 444.561 1.334 30 10 IDEE Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707906495 AZZPDZJYGQPOGS-QURGRASLSA-N 449.515 1.004 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H](C)O1 1708233911 DDHJWVAWWPBIRD-HOTGVXAUSA-N 433.534 1.777 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC(F)F 1710730424 SMDDRZQTRRSBRP-UHFFFAOYSA-N 438.483 1.684 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1722329002 AWRBJLBXBYRWNK-UHFFFAOYSA-N 438.532 1.340 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(F)F)CC1 1722329249 CSJMRVIBTXACDH-UHFFFAOYSA-N 441.486 1.993 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCS(=O)(=O)N(C)C)CC1 1722569503 CKICUJIGULCCGN-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 1722689899 BIFIGXVMWVPQFP-CQSZACIVSA-N 432.912 1.389 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722695945 WBSLMFZBRKYDBP-HNNXBMFYSA-N 429.912 1.497 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1722697102 FWFJTDHEQOLUDC-UHFFFAOYSA-N 448.531 1.766 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(CNC(C)=O)CC1 1722729739 VUFFTKNXBZRULE-UHFFFAOYSA-N 446.577 1.217 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1727482112 CICVPDNIMACSET-HRAATJIYSA-N 426.525 1.712 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1729369216 GROYWXXNZSIBJW-ROUUACIJSA-N 445.545 1.779 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(CCC#N)CC1CC1 1729742179 CPLUIUZPBKZJMF-SFHVURJKSA-N 446.533 1.470 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740581685 DFUHAKUMNDJYAK-WMZOPIPTSA-N 427.530 1.477 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(-n2cncn2)c1)[C@H]1CCS(=O)(=O)C1 1740616624 DHRKIJZQSVBZNI-IBGZPJMESA-N 439.545 1.657 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1740758324 WLNIRVQSTPDETH-HLIPFELVSA-N 430.553 1.692 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1740843885 SBWMRBQXZVXHHR-HNNXBMFYSA-N 440.614 1.938 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1740960076 KQYDNNPYDRQQRT-HKUYNNGSSA-N 427.505 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C)o1 1740992040 LQXBJBJMSAUBEP-OAHLLOKOSA-N 442.563 1.319 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1741801947 HYDYNJUTCCZUOM-RDTXWAMCSA-N 436.476 1.682 30 10 IDEE CCOCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1Cc1ccc(C#N)o1 1747113410 PFWOMEQTIAQXAH-UHFFFAOYSA-N 436.538 1.578 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1748639026 AZMMFEJGWMDMKF-CABCVRRESA-N 428.628 1.174 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1748710151 IBNHJTNRRRVJEA-UHFFFAOYSA-N 434.504 1.859 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1748811024 ADPUFSCSNKVELI-QGZVFWFLSA-N 426.502 1.059 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1748819309 MSPLIJLSWYBZFF-LJQANCHMSA-N 443.573 1.707 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748896458 BFDPGIUBDLXLDS-IBGZPJMESA-N 446.477 1.990 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCCOC)CC1 1748971178 GFBVHWRNMNXAMA-UHFFFAOYSA-N 440.548 1.245 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCn2ccnc2C)CC1 1748971199 HEFBIHUHSGDHLG-UHFFFAOYSA-N 426.569 1.547 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC[S@](=O)CC)CC1 1749016565 GGPQBSZXUONTBC-WJOKGBTCSA-N 441.601 1.912 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749020070 KIKBBXDRVJOPEQ-CABCVRRESA-N 427.596 1.138 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1749413053 RNBDWTRPVIZYSH-CVEARBPZSA-N 448.597 1.776 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1749488105 ISWVJRPXQSFQKU-QKLQHJQFSA-N 439.582 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749663468 GIWDYZAFUKGNSZ-GOSISDBHSA-N 433.520 1.538 30 10 IDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749762088 ONRZICIHNYVUPP-UHFFFAOYSA-N 432.594 1.421 30 10 IDEE COCCOCCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750098418 ZOWYMANHGVNVHT-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760217132 PZMZBSKCMNGMOW-GOSISDBHSA-N 449.481 1.795 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOCCCO)CC1 1760267338 ZPQVBQKITHSMLK-UHFFFAOYSA-N 445.951 1.963 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@@H](C)C1 1760324392 KAEVSXWRLJXTSE-IPJJNNNSSA-N 446.596 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1760556601 JPZKZWOICPISNI-UHFFFAOYSA-N 449.537 1.778 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)F)CCOC1 1772844925 YKOJMIPHGMCQNT-IBGZPJMESA-N 426.468 1.440 30 10 IDEE C[C@H](O)C[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 1848437866 NRDGFMRATGBIKW-OUOMXGHUSA-N 446.540 1.688 30 10 IDEE C=CCC1C(=O)NC(=NC(=O)c2cc(Br)cnc2N2CCCCC2)NC1=O 1851841007 VDYHHPLWNTWGMR-UHFFFAOYSA-N 434.294 1.769 30 10 IDEE CS(=O)(=O)N1C[C@H](C(=O)NCCN2CCC(C#N)CC2)Oc2ccc(Cl)cc21 1852807838 VLPRGQIJCXUKQK-QGZVFWFLSA-N 426.926 1.219 30 10 IDEE CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1 1853948695 RKEBXCJHSFOVJO-UHFFFAOYSA-N 427.482 1.559 30 10 IDEE CC(C)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854641410 DVWWZKILAQTSIC-APWZRJJASA-N 432.546 1.569 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCO2)C(=O)C12CCCC2 1856265456 VMNSIKAYNBLYQC-KRWDZBQOSA-N 431.514 1.800 30 10 IDEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870573275 OOTYSZOEQAZVDM-UHFFFAOYSA-N 431.533 1.953 30 10 IDEE CN(CC1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1)c1ncccc1C#N 1889906657 HQHRASTURVBFQL-LJQANCHMSA-N 425.533 1.656 30 10 IDEE COC(=O)[C@H](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)NC(=O)OC(C)(C)C 2010517754 SWAQQIWGWKUACH-MSOLQXFVSA-N 430.505 1.679 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1nc(C#CCCO)ccc1Cl 2232356820 XUMSZRMDFOWNQT-UHFFFAOYSA-N 433.873 1.507 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2248481779 QAGOSSWUOPDHBV-RYUDHWBXSA-N 436.236 1.554 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CC(NC(=O)OC(C)(C)C)C1 2255625629 UQSUMNOVHZEWEK-UHFFFAOYSA-N 434.346 1.847 30 10 IDEE CCON(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255628083 CPQGGSBGZLKFRF-UHFFFAOYSA-N 436.318 1.722 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2255806624 IECVRDRLGAEXHN-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255875622 BEDMKROPYHOJIN-KBPBESRZSA-N 430.314 1.610 30 10 IDEE Cn1ncc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2267008398 FLGUKJDKXOZRSA-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139420 GFSXSPWZSPZUHO-NWDGAFQWSA-N 444.263 1.628 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267265941 MANCSLBZJWQDKC-TZMCWYRMSA-N 441.259 1.910 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2267266055 NAUJOLLYKPAVCZ-KGLIPLIRSA-N 449.361 1.538 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267274494 BAVFJONACFUYHM-UONOGXRCSA-N 447.345 1.196 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267282776 HDPLLHGZERNNMD-DRPJVOAASA-N 448.325 1.989 30 10 IDEE Cn1cc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2267500263 GEMKIPYRJPMZHN-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267578998 MAFAZWCMSDZFQD-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267579000 MAFAZWCMSDZFQD-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 2267591915 ABERMLCCUDPPAS-HZPDHXFCSA-N 444.341 2.000 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267875965 KLCYJBALPRWHMN-KFWWJZLASA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)CCO2 2272919923 MWAYFYXICNXOOG-UHFFFAOYSA-N 448.329 1.171 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1 105041389 COKILDOOEFLZHW-GOSISDBHSA-N 441.509 1.915 30 10 IDEE C=CCOc1ccc(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1OC 139344109 CVUACKWBRZUUSZ-UHFFFAOYSA-N 428.445 1.254 30 10 IDEE C#CCN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 250668611 SWMHWHMCYOGTFD-BBRMVZONSA-N 443.447 1.415 30 10 IDEE COCCN(C)S(=O)(=O)c1ccc(N(C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 427338655 ZUPBZQFBVADTRJ-UHFFFAOYSA-N 438.531 1.354 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)ccc1Cl 443082742 TXTCLHSMMZKVSN-UHFFFAOYSA-N 435.861 1.747 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(c2cnccn2)CC1 460787116 OPBMKPKJNXAFJD-MRXNPFEDSA-N 431.566 1.652 30 10 IDEE CC(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H](C)C1 477665020 KJCOAKZUXRLLSI-WMZOPIPTSA-N 427.549 1.909 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 480116614 ZHQSYYDDHLCLQB-WFASDCNBSA-N 433.515 1.311 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@H]1CCCO1 480941696 YXFDCOYIMBWHSV-CYBMUJFWSA-N 433.555 1.188 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 481051926 CNBCYSUZFATSAM-UHFFFAOYSA-N 437.518 1.924 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 482157851 NTXLKFJMOFCVMP-LIRRHRJNSA-N 444.488 1.628 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 486013751 XDEHCAFVJGYGPH-ZDUSSCGKSA-N 442.540 1.967 30 10 IDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486621677 VEKZHCNQQZYOKD-SFHVURJKSA-N 427.482 1.733 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[S@](=O)C[C@H]3c3cnn(CC)c3)cc2C1=O 489367599 LRHHMJQGIMWQGV-PBYQXAPXSA-N 426.498 1.631 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 499716805 BNQGOCWVMIEEFV-XKGZKEIXSA-N 427.545 1.959 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 508827516 MMBPVVKBEMXKKT-IBGZPJMESA-N 443.504 1.532 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@H]1CCCO1 514475353 XBAVATGPZTZRLU-GOSISDBHSA-N 446.532 1.442 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3nccnc3C(=O)NCc3ccc(F)cc3)CC2)n1 546196939 BKJPHKVOJGFQAS-UHFFFAOYSA-N 445.458 1.775 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 549218839 FYKQJBVSQBKGAS-LJQANCHMSA-N 429.496 1.973 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCc2ccc(C#N)cc2)CC3)CC1 549704462 NVBWBJPJXFBQDU-HXUWFJFHSA-N 434.544 1.454 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 558962719 GTWXXXGDJDYVNP-LJQANCHMSA-N 447.561 1.594 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CCN1Cc1ccccc1 577882473 YJDPIDDGNIBIJG-RTWAWAEBSA-N 431.496 1.145 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)NC[C@@H]3CCCO3)cc21 586315050 UYALXQFVIDUNLN-WJTLPSFJSA-N 434.514 1.213 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CCS(C)(=O)=O 590410235 GQGIYJAXCKYJIX-GDBMZVCRSA-N 427.548 1.041 30 10 IDEE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732467650 WDDNTXSABFMPMM-OSCRUYLVSA-N 427.461 1.334 30 10 IDEE Cc1cccc(S(=O)(=O)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 733853169 GTDZTABUIWDMBM-QGZVFWFLSA-N 426.454 1.577 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)CCc2ccc(C#N)cc2)cc1 747313020 DGWQWOUPBSSLAS-UHFFFAOYSA-N 425.470 1.703 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 766320934 KVGGIMUUEPRDPK-MGPUTAFESA-N 441.509 1.962 30 10 IDEE CS(=O)(=O)Nc1ccc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 767754805 VQONEVLRRJDKEU-UHFFFAOYSA-N 448.570 1.526 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768419940 ALXVGMACAJKPHG-MRXNPFEDSA-N 429.550 1.323 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](N(CC(=O)O)S(=O)(=O)c2ccc(F)c(C#N)c2)C1 772203132 OFJADHZSCUJGBU-ZDUSSCGKSA-N 427.454 1.782 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(OC)c1 778075010 SIRHHAMROOUYKP-OCCSQVGLSA-N 441.506 1.750 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCc2c(Cl)cccc2C1 785722041 XCZBFSIOAPZFMX-UHFFFAOYSA-N 446.960 1.943 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)n1 788854803 PECKPMVHANYOEZ-UHFFFAOYSA-N 439.516 1.347 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)n1 789194147 TVVXPXGCIPMKSD-UHFFFAOYSA-N 430.484 1.245 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccccc3)c2=O)cn1 794595625 GRJOCJJJCKYQMX-LJQANCHMSA-N 448.548 1.673 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)cn1 794624505 WWLSEEUQLCWMFP-HNNXBMFYSA-N 437.477 1.394 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 799087062 IIQFGVNVYFPQDJ-JXFKEZNVSA-N 425.510 1.518 30 10 IDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 807229571 BQOMOYYVPZZUJR-SREVYHEPSA-N 436.534 1.702 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 809890072 SPGCDYLFGUGLKM-YCRPNKLZSA-N 434.541 1.735 30 10 IDEE CN(C(=O)COC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(C)(C)C#N 915519146 AICMCQVSORXBOJ-UHFFFAOYSA-N 438.278 1.868 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)COc2ccc(C#N)c(Br)c2)C1=O 1126808771 JGJUPAVNOBLYGU-XIKOKIGWSA-N 435.278 1.536 30 10 IDEE C/C(=C/C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)CN1CCOCC1 1136199527 CJNDFGNMZHWSSS-SSZFMOIBSA-N 426.496 1.793 30 10 IDEE N#C[C@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccc(Br)cc1 1141447258 ATFSLPJDXQHTTR-LBPRGKRZSA-N 434.275 1.739 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2cc(F)c(C#N)c(F)c2)C1 1155211148 YQUIKUXPQSQIQI-ZDUSSCGKSA-N 443.472 1.877 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1162112988 BWRNEJNDIYZRGR-OXJNMPFZSA-N 438.509 1.752 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCC2(CC1)CC(=O)C=CO2 1176612157 ZHQZUWRCOGBJRM-UHFFFAOYSA-N 442.559 1.048 30 10 IDEE C#CCN(C(=O)NC[C@]12COCCN1C(=O)OC2)C1CCN(C(=O)OC(C)(C)C)CC1 1235371617 GMLMNDABKMJGLN-OAQYLSRUSA-N 436.509 1.252 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1286347723 AWOARLFUQCGLHH-UHFFFAOYSA-N 448.531 1.457 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1286400931 LTCQUJQCBCNXFC-XMMPIXPASA-N 442.608 1.418 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1286429505 BYCCNRDIGASQQJ-IBGZPJMESA-N 445.589 1.436 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)CC1 1286472882 WOQARYGJAVYIEN-HTAPYJJXSA-N 429.496 1.464 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1286505012 UMHANPIZICCHNY-QGZVFWFLSA-N 445.618 1.683 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286592830 XOESRKUWDCPKJF-GOSISDBHSA-N 435.594 1.985 30 10 IDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286593034 GPYVGEVLUVYEJC-ZWKOTPCHSA-N 441.598 1.973 30 10 IDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1286639930 DJQZJFGAUODAPO-INIZCTEOSA-N 425.449 1.998 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(N2CCNC2=O)CC1 1286779146 FLRICSOOROTMBH-UHFFFAOYSA-N 443.939 1.895 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CCCN2CCOCC2)CC1 1286786104 XJLVUAYOQRGEHU-UHFFFAOYSA-N 441.580 1.904 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1286807320 BETILIIYYGYBBQ-MOPGFXCFSA-N 438.532 1.369 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1286829857 GFMQJWUYIYUUIQ-UHFFFAOYSA-N 433.538 1.386 30 10 IDEE CCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1294294775 ALHPPRWUEBKKEO-GOSISDBHSA-N 426.525 1.596 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1294846418 BMKPZADWQMMGBM-SFHVURJKSA-N 444.561 1.746 30 10 IDEE CCO[C@]1(c2nnc(N3CC=C(C)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1296575880 AZHNCPNPYKXACZ-QIEZACGCSA-N 442.520 1.613 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)C1=O 1299143407 DFEAYGAIGYUNKI-SOUVJXGZSA-N 434.493 1.115 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@H](C)C1 1300267739 JHMGKZPSQSSNMK-QZTJIDSGSA-N 425.537 1.884 30 10 IDEE C#CCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1300424346 DVCYPIAZRNNRDV-QHCPKHFHSA-N 431.581 1.892 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300498560 LTHRCJYYDGTRAQ-SJLPKXTDSA-N 434.537 1.917 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300499461 SCHHGHRYHPGCRP-REWPJTCUSA-N 442.585 1.965 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1300579370 ULYBTZWCZDZDFH-UXHICEINSA-N 431.606 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CC(F)(F)CO2)CC1 1300719599 HYOPCTMLFPPUTE-INIZCTEOSA-N 432.475 1.674 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1301417717 WOJOMURSZMZZSI-OAQYLSRUSA-N 447.561 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1301596349 MEZUNFHHILUBNR-QAPCUYQASA-N 430.596 1.473 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1302311245 KCJMPLIESLUFEP-FYQPLNBISA-N 448.568 1.232 30 10 IDEE C#CC1(O)CN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)O)C1 1304605686 IOVGSPWTWXITFH-OAQYLSRUSA-N 434.492 1.871 30 10 IDEE CC(C)(CCS(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1309395650 ADMJFWJFDZNWOG-MRXNPFEDSA-N 427.548 1.186 30 10 IDEE COCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316006963 XAQPCRULDIAOOT-GOSISDBHSA-N 438.536 1.639 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1316198549 DCKXPXQRJKYMHZ-GITQUMRASA-N 444.536 1.907 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1 1317794169 CLFSCBDNYWQSGN-MRXNPFEDSA-N 445.497 1.852 30 10 IDEE C=CCN(C(=O)c1cnn(C(C)C)c1I)[C@@H]1CCS(=O)(=O)C1 1352905046 LAUUAFIHSKNZCT-LLVKDONJSA-N 437.303 1.884 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358965680 ZFCWSMDVXVTMQH-MJGOQNOKSA-N 429.546 1.317 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1Cn1cccn1 1358967134 DYCBXALBPFFLNI-UHFFFAOYSA-N 427.512 1.880 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1359028076 GPKKPUBWCABGBZ-OYRHEFFESA-N 443.640 1.930 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOCc2ccccc2)CC1 1359043886 MTUMSFDQOIYGDQ-UHFFFAOYSA-N 445.527 1.918 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccn(C)n2)CC1 1359044081 UTEICKOURIKXAT-UHFFFAOYSA-N 432.532 1.591 30 10 IDEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359228940 TWTHMASNXPQQCF-GOSISDBHSA-N 426.521 1.684 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCC(=O)NC 1359293672 WWPAFIZIYAOUHT-UHFFFAOYSA-N 438.330 1.300 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359299922 PRXREDDMYVWXKN-INIZCTEOSA-N 447.609 1.478 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359302699 QSJJYJGNWBKSCT-GOSISDBHSA-N 439.564 1.555 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)C1 1359321340 FFTZIXQZGIJHNK-IRXDYDNUSA-N 446.577 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359330161 JDKAZMZLMTXPTQ-CQSZACIVSA-N 431.440 1.708 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359336607 WBHGQWLLDPXHKU-IAGOWNOFSA-N 439.582 1.473 30 10 IDEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(I)n1 1360122919 DIIVKIYXQONCTC-CQSZACIVSA-N 435.269 1.875 30 10 IDEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1457200029 MOAAVZCFRQEWDN-UHFFFAOYSA-N 425.445 1.794 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC 1464031702 SAYPCYLEZNTZJE-UHFFFAOYSA-N 446.547 1.422 30 10 IDEE N#C[C@H](CCc1ccccc1)C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1470347299 HUSPLRSQUOUAGV-NRFANRHFSA-N 440.569 1.882 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H]1Cc3ccc(C#N)cc3C1)CCS2(=O)=O 1471145089 QMJHKUYOSFVLPG-KQNFGGRRSA-N 431.514 1.224 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cc[nH]n1 1471564162 RUIQHDBEOFNNOF-AWEZNQCLSA-N 428.367 1.562 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1503431502 GVANJTXIZBHHID-SFHVURJKSA-N 445.545 1.779 30 10 IDEE CN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1503526586 BOEZLOYBHJMTOK-ZPHPHTNESA-N 436.476 1.298 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)CC1 1503762348 DFQCZCPSGPECAY-UHFFFAOYSA-N 435.488 1.962 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CCO1 1503770211 DRDRPBOFISVGDT-QUCCMNQESA-N 449.515 1.664 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CCC2)CCO1 1503770380 FJFMULCOGUESSM-IBGZPJMESA-N 438.532 1.975 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504585282 HZDZUXFPEIJTIN-RTBURBONSA-N 441.536 1.774 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1505028861 HKKBHTQNADIKAH-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507634042 IKFCOZCNGUUDOT-GOEBONIOSA-N 441.554 1.245 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1OC 1507651498 BNLWOEWNDWVJLF-UHFFFAOYSA-N 435.488 1.431 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1507653807 RIQMSHRZCZFUSP-LJQANCHMSA-N 445.520 1.180 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1507743407 AVSDGCDKLIURES-UHFFFAOYSA-N 432.594 1.669 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1507978985 XIAHXFRGAXPYPD-UHFFFAOYSA-N 442.545 1.639 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1508085327 UDFZTUQUYBPLSB-SFHVURJKSA-N 425.537 1.451 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](C)C1 1508129987 FVCITYWPIABCGV-CABCVRRESA-N 433.600 1.116 30 10 IDEE CCC1(CC)CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1513589555 UBEXNCBFLDSETF-HTXNQAPBSA-N 443.552 1.959 30 10 IDEE CS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519620162 PCFIWBXEZWBJMR-UHFFFAOYSA-N 445.549 1.095 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1539015927 RLRNGLLCRLWGKS-IEBWSBKVSA-N 431.562 1.620 30 10 IDEE C#CCCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539086447 GAQNRQXCOUZFGC-HSZRJFAPSA-N 446.596 1.332 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539094480 QFBRGEPHUZZIHL-HUUCEWRRSA-N 426.543 1.017 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1539134010 PEFNAPWSSOXYJB-UHFFFAOYSA-N 435.532 1.400 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1539178597 IWCWOHFJSNHTGJ-KRWDZBQOSA-N 436.557 1.234 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1539211397 LHMBDPQFBPJSME-CABCVRRESA-N 437.472 1.391 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NC(C)C)CC1 1539428743 WINGOODEBKOXCP-UHFFFAOYSA-N 437.548 1.427 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2nnc(C)s2)CC1 1539462427 HAQVRBNTYZNZEF-HKUYNNGSSA-N 445.593 1.550 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1539733597 GVQQIJZEQFHELZ-VGOFRKELSA-N 443.552 1.904 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1540868052 QCNGLOJVIOBBTL-INIZCTEOSA-N 425.537 1.773 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCC2)C1 1540907429 WUTUVJOMFJQSJB-UHFFFAOYSA-N 434.566 1.500 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1541052632 IYAZCQNKIXQRRW-HLAWJBBLSA-N 438.532 1.709 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1554301362 KCPVVEYFBQDOJL-LJQANCHMSA-N 437.548 1.500 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)C1 1556132752 SQWKUWQOTUMHHV-YPMHNXCESA-N 443.426 1.850 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1558817156 CUCDSQXGAOPBHP-AWEZNQCLSA-N 436.958 1.829 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 1570280526 IKYLDPYTBQGDIE-UHFFFAOYSA-N 449.554 1.927 30 10 IDEE Cc1nc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 1585231050 GEDQEPVKZMDRCH-UHFFFAOYSA-N 431.382 1.999 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(C)(=O)=O 1587719276 YCIWFYBKHZOXOR-UHFFFAOYSA-N 438.575 1.633 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C(C)C)N1CCOCC1 1588170472 HEMAAQYQXNRRMX-HBMCJLEFSA-N 429.565 1.432 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc2n1CCCCC2 1588698031 WSUXMKBHIYBULD-PXNSSMCTSA-N 443.552 1.454 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(OC)CCOC2)CC1 1588947340 OTBZFINRBQSORN-QHCPKHFHSA-N 438.532 1.035 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCC 1589069043 IBLZZIMIJQWZAK-CVEARBPZSA-N 429.612 1.602 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1593768264 CJLGXNVCZKWMOP-UWJYYQICSA-N 434.541 1.125 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 1594693116 QOGBBPMGMSVKSL-UHFFFAOYSA-N 447.561 1.610 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1595500822 GERPTIKWVOOWSU-GOSISDBHSA-N 439.520 1.867 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1595772891 IMEVTMSENCIPPS-SFHVURJKSA-N 431.562 1.810 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1596752503 VWJIDOOIWVKFOA-QFIPXVFZSA-N 437.504 1.114 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCc2cncc(C#N)c2)C1=O 1596860150 DGFOTEGRYVVFBD-IBGZPJMESA-N 442.273 1.799 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1611633567 IDHITVLPQPBRQJ-YWZLYKJASA-N 433.534 1.492 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)O)CC2)c1C#N 1612469976 KFTLNFABLMGXQV-INIZCTEOSA-N 428.541 1.183 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1618652862 BRZJDOAKXDSZTH-SFHVURJKSA-N 448.531 1.781 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1619614832 QTDHXOOBRAIVND-SJLPKXTDSA-N 427.484 1.842 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)C1 1620346038 QDNLUFXFAVUBEB-QRWLVFNGSA-N 429.456 1.563 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1620357604 ZGONNHOWUUELQJ-KSZLIROESA-N 433.896 1.779 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 1624442729 LMRGQUAOAHKTOG-MSVBSMQLSA-N 426.473 1.386 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1629268856 YUQWAKDZSBJMTB-JOCHJYFZSA-N 445.495 1.577 30 10 IDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1632070216 WWWGFLRPAYCYCY-RHSMWYFYSA-N 437.518 1.232 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@H](OCCN3CCOCC3)C2)CC1 1635681036 CWNGLKQWGOZDRH-FQEVSTJZSA-N 435.565 1.587 30 10 IDEE COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1637374547 GFFZGEJRLROVCW-OAHLLOKOSA-N 433.534 1.251 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CCS(=O)(=O)C3CCCCC3)CC2)cc1 1642227800 WIBZMTYCBRBTPF-UHFFFAOYSA-N 425.576 1.612 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)OCC 1643590539 VCZVKLAUWFDYSE-CYBMUJFWSA-N 434.898 1.879 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ncn(C)c2Br)s1 1647916161 OXEITHWPDSJNIS-UHFFFAOYSA-N 447.380 1.610 30 10 IDEE Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(Br)cc3C#N)CC2)cn1 1650780930 BJZACENEAUPGBV-UHFFFAOYSA-N 425.312 1.714 30 10 IDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)CCS(=O)(=O)c1cccc(C#N)c1 1653718877 CLBJEJQAZSMKRF-UHFFFAOYSA-N 436.559 1.048 30 10 IDEE COC1(c2nccn2C)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1660011839 FFMZXZKASVIYDF-GOSISDBHSA-N 442.589 1.828 30 10 IDEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1666389458 HPTMSIRFYGZFEC-UHFFFAOYSA-N 443.551 1.467 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689855583 YKIJVTIXGPYXAO-HUUCEWRRSA-N 437.516 1.887 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN(C(C)=O)C1 1689959741 LPEQDXRUGLEOPD-KRWDZBQOSA-N 443.577 1.566 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1690097695 MZLFAXVBSCCEHT-UHFFFAOYSA-N 425.942 1.576 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)CCCC)CC1 1690135151 PKNADWSPUFKACU-UHFFFAOYSA-N 443.596 1.212 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690299321 NLIMBTRVCYWPGI-IKGGRYGDSA-N 427.571 1.344 30 10 IDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690300733 IYLLKOVQENYDKJ-GOSISDBHSA-N 432.569 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 1690663554 ZWRSXUAHWOHVAS-OAHLLOKOSA-N 431.294 1.739 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690674358 XYUVUOYOQRCNDL-UHFFFAOYSA-N 426.525 1.048 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690717937 VNZSPVRACUOSJD-IRXDYDNUSA-N 448.501 1.669 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1692593075 WUVRYRWJXOCKHO-OGLOHFSISA-N 430.509 1.444 30 10 IDEE C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1693843493 HVRMCKPZPJPHQD-UTKZUKDTSA-N 433.532 1.343 30 10 IDEE CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1696170403 GUDUWWBAOJAGPY-QRWLVFNGSA-N 447.565 1.860 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCNS(C)(=O)=O 1705624919 ANUSMLNQWWCNMC-UHFFFAOYSA-N 431.497 1.007 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705658217 IQUMGSNBSAYBLE-UHFFFAOYSA-N 436.545 1.460 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705658551 SWXUPBQURNYJSW-KRWDZBQOSA-N 440.577 1.684 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H](O)C1 1705716337 HQTMSTPNLZFRKF-KSZLIROESA-N 441.598 1.565 30 10 IDEE C=C(C)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1705728370 HYZUEZHBXANPIY-LJQANCHMSA-N 427.571 1.414 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705831907 HDRIQCQBQYYUPF-LJQANCHMSA-N 446.596 1.683 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1705898028 ZAMGGTGXRDHUOO-HXOBKFHXSA-N 441.532 1.940 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS(=O)(=O)C1 1706108707 MAHGKCBWCNWPMS-CQSZACIVSA-N 444.561 1.935 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1706516358 BJPJFVIPZUIUEN-RTWAWAEBSA-N 435.532 1.902 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(F)cn1 1706609483 YUDBNZHIWMJPIM-UHFFFAOYSA-N 436.451 1.534 30 10 IDEE C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1708126664 XOTYDOHEURCDFD-VKJFTORMSA-N 448.549 1.606 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCCS(C)(=O)=O 1708152433 DQXDYUKLJFWRJZ-HNNXBMFYSA-N 444.565 1.042 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1708152752 HURVKVCZSYHZDF-OYHNWAKOSA-N 437.552 1.431 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1711237031 MJOFHCSVAUHTEC-UHFFFAOYSA-N 448.530 1.263 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1712020477 IDOQCLCOCSQURO-CABCVRRESA-N 428.518 1.586 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCOCC1 1712452689 MHWNEFONJMYSPH-UHFFFAOYSA-N 430.465 1.761 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1722324105 KQVSZCFBRHLDIZ-OAHLLOKOSA-N 437.595 1.393 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1722332216 GKZTWBQTVSZBHX-VQIMIIECSA-N 439.607 1.358 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1722353762 ZPFBULYYBXHBSC-UHFFFAOYSA-N 425.537 1.453 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1722359839 WIGCHEHGPXJXJB-KRWDZBQOSA-N 434.566 1.094 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1(S(C)(=O)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722368781 STSVXIQYLJOHDG-INIZCTEOSA-N 440.591 1.140 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1722370694 MKGXOXCMQYCVKD-HXUWFJFHSA-N 448.571 1.758 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1722397154 NXACAPFRZMEPNR-SFHVURJKSA-N 436.541 1.534 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)ccc2OC)CC1 1722442043 WEIGPSOFSPYAHQ-UHFFFAOYSA-N 426.496 1.352 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1722452845 LLTANZAORKKMEN-UHFFFAOYSA-N 448.593 1.938 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1722701010 CFGCYHSMSVWUJQ-UHFFFAOYSA-N 438.576 1.667 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)C1 1722711851 XOGRHJOFEOTXMT-QWHCGFSZSA-N 445.496 1.310 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CC2)C1 1722727613 KAOJTCXDVRZOPR-HOTGVXAUSA-N 428.580 1.017 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722737638 NMMQREOZUSZHEO-QGZVFWFLSA-N 429.550 1.482 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)C(C)C 1723337026 DBFUPFINQOIZRQ-QGZVFWFLSA-N 439.568 1.626 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1729618885 CEABQEXPPJUBIO-BVZALQNUSA-N 438.532 1.973 30 10 IDEE COC(OC)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1729906451 QVWPAVQMJSMGLL-IAGOWNOFSA-N 426.477 1.298 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740576112 XVJYOLYWWJBAFV-MOPGFXCFSA-N 435.594 1.285 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC1CC1 1740645716 KTJKGVOWFYRKJL-UHFFFAOYSA-N 440.529 1.213 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1740699029 YTQRSZOKZMYKED-KRWDZBQOSA-N 429.546 1.144 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(OC)CCC2)CC1 1740825361 NFXLWUGIGBKCLI-QGZVFWFLSA-N 439.582 1.727 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1740876856 WWGZXZVZINJMGV-VQIMIIECSA-N 425.555 1.194 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1740988145 UZQYPVVEYOZBII-UHFFFAOYSA-N 444.561 1.186 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1741994667 RWEGNLSYBSLRBW-SUMWQHHRSA-N 430.459 1.791 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCCC 1748648658 AWRGKIKWZFMNFM-HNNXBMFYSA-N 432.550 1.180 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1748683557 TZXYKARRYFTLEF-UFVMTTLYSA-N 438.488 1.705 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1748752000 PYELPDZKOLWMDS-KRWDZBQOSA-N 429.546 1.977 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1748779731 UPGFSOXXNVMRLX-GOSISDBHSA-N 434.552 1.016 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1748901012 OYKODORSRDPONQ-UHFFFAOYSA-N 440.548 1.730 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCC[C@H]2C)CC1 1749017097 VWNACROECOZVBX-LJQANCHMSA-N 435.576 1.714 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1749236339 GQHINPVUFYQJDY-YZGWKJHDSA-N 427.505 1.946 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749251427 FGFZLWVQIALFCA-JYJNAYRXSA-N 447.005 1.188 30 10 IDEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749294951 IEHFZCJKHSRROT-OAHLLOKOSA-N 432.550 1.617 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)nc2)CC1 1749304140 VVZXAIKJMUMCBI-QGZVFWFLSA-N 430.534 1.738 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C(C)C)CC1 1749342441 FTDOJRXHILUSBM-YLJYHZDGSA-N 441.598 1.420 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1749670763 VWZGJLPXQVKXDQ-HXUWFJFHSA-N 439.560 1.906 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2OC)C1 1749707485 FUNHSMNEIULHED-HZPDHXFCSA-N 428.493 1.471 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CCN(C)CC2)C1 1749708132 HYAOEXXYZGVGJR-DLBZAZTESA-N 434.610 1.838 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCOC2)C1 1749719461 WAKPDOXTSAPNKV-DENIHFKCSA-N 430.505 1.798 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(C)on1 1749721562 NUAADOQLGAWVMI-UHFFFAOYSA-N 445.505 1.459 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749726758 CXEDAHROSOEJRR-ZBFHGGJFSA-N 434.518 1.482 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1749830026 DBABTLWYEULTBK-SFHVURJKSA-N 433.534 1.087 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1750379773 HNHOBTYFBGGIFG-GTNSWQLSSA-N 438.389 1.723 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760187004 SHSYZPHMLSEXNA-GHTZIAJQSA-N 434.537 1.796 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190807 ZROOEJNCBDNSNI-JKSUJKDBSA-N 446.602 1.894 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1760190879 VVPWCNCPVYTWEC-MRXNPFEDSA-N 435.575 1.297 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1760232853 DWDGDTAJUGQQPL-ZDUSSCGKSA-N 438.351 1.846 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1760262770 ZWPXLDWQBJIDHE-LJQANCHMSA-N 442.995 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)C(C)C)CC1 1760265807 JSPZYRRLVGXCQW-HSZRJFAPSA-N 446.596 1.236 30 10 IDEE C=CCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1760449992 BDXPSUMVAZWWAR-UHFFFAOYSA-N 448.568 1.922 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCCCO1 1760518394 SWXOAHOXKRUQBI-SFHVURJKSA-N 437.508 1.228 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCOC2)C1 1760549190 YJMZARMNRHQHKH-HXUWFJFHSA-N 439.582 1.414 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)F)CC1 1760555373 DUBONYQMHVIQLF-OAHLLOKOSA-N 433.525 1.508 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1760698903 RZDAWFXIOAQQJD-AWEZNQCLSA-N 426.456 1.803 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1760804822 AKCOZZGIJBHBNF-PMERELPUSA-N 430.534 1.212 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760845571 PSXNSVAGMXWSSX-QHCPKHFHSA-N 435.532 1.695 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccnc1C 1767598333 GQDLKLNNOAFARH-INIZCTEOSA-N 448.531 1.888 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(C)COCCO1 1767930894 KFYNSKPBPFAOHH-JOCHJYFZSA-N 444.511 1.957 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C[C@H](C)O1 1769490797 FYFGVROBAXGHQI-JUMZHAFNSA-N 429.546 1.968 30 10 IDEE CO[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1769595073 IZJRKEKNDOWAOG-STQMWFEESA-N 439.398 1.622 30 10 IDEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)F 1770501174 GDEPKNAMPZDJNN-UHFFFAOYSA-N 434.447 1.987 30 10 IDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771027933 ZKDWVXJXKIHCGI-HOTGVXAUSA-N 439.524 1.033 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)CC1 1771359608 HBSZCHPNCNHUNI-UHFFFAOYSA-N 443.558 1.793 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccccc2F)CCO1 1771536911 DRCNFEKGYMKNQS-YJBOKZPZSA-N 428.468 1.818 30 10 IDEE CN1CCN(C(=O)CCC(=O)Nc2c(-c3ccc(F)cc3)cnc3c(C#N)cnn23)CC1 1851125412 IFZIWIVIQOFAMV-UHFFFAOYSA-N 435.463 1.900 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1 1851301934 FOTHZYYJDMSOTE-UHFFFAOYSA-N 432.546 1.551 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3C[C@@H]3C(=O)NCc3ccccc3)CC2)nc1 1851503439 SDHLVYCROHDHAT-SFTDATJTSA-N 433.512 1.571 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)C[C@@H](c1cccc(OC)c1)N1Cc2ccccc2C1=O 1853243863 GAEAVULOGIUVOC-NRFANRHFSA-N 440.521 1.947 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861504692 JYJWFBFFADZACU-NQIIRXRSSA-N 447.491 1.403 30 10 IDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CSCC 1870259171 PKDLFIFJKLEHEB-UHFFFAOYSA-N 428.518 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124524192 PCBXOAMMVLRZGA-MRXNPFEDSA-N 445.325 1.660 30 10 IDEE Cc1cc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)sc1C#CCO 2137593877 ZWFCLRAPFLPBSY-UHFFFAOYSA-N 432.523 1.506 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)n1 2255636379 TUENJVWNIDQASA-UHFFFAOYSA-N 434.346 1.988 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H](OCc3ccccc3)C2)n1 2255933320 NNKBONLGTKLSCL-KRWDZBQOSA-N 447.366 1.699 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256026100 NLGPPXVQBQPJBU-ZDUSSCGKSA-N 433.314 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2256674722 LSTVJNVWPMIFGR-OAQYLSRUSA-N 433.314 1.691 30 10 IDEE Cn1ncc(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267014312 XHOZYOVJPVUHII-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE C[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267103224 FVUOTDDJRBASLB-CQSZACIVSA-N 449.361 1.586 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267535959 FBPSVRSGNONTJW-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)=C[C@H]1O 2268714823 MIXFMVOGLQYJKR-JKSUJKDBSA-N 445.325 1.904 30 10 IDEE O=c1c(Cl)c(NN=Cc2cc([N+](=O)[O-])c(O)cc2O)cnn1[C@@H]1CCS(=O)(=O)C1 2322614714 WRCGCILHPUXVPN-SECBINFHSA-N 443.825 1.022 30 10 IDEE COc1cccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)c1 2328624332 ZJSVETCCMKFFPL-UHFFFAOYSA-N 427.486 1.943 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2352398907 ZCVLTAGJXAAYDK-CYBMUJFWSA-N 449.361 1.632 30 10 IDEE COCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Cl)cc2)c1=O 254309900 KMYGBBGJKPUGFO-UHFFFAOYSA-N 431.945 1.725 30 10 IDEE C[C@H](C(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)n1cnc(C#N)n1 409973874 KWJOVNUANABRLP-QGPMSJSTSA-N 438.488 1.511 30 10 IDEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc21 430085806 BSRUXZKXMXTRAG-DEOSSOPVSA-N 433.512 1.677 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC3CCCC3)C2)cc1 461742296 IEHZSXOVIRNVHP-HXUWFJFHSA-N 426.517 1.869 30 10 IDEE CN(C)C(=O)[C@@H]1CN(C(=O)c2sccc2C#N)CCN1C(=O)c1sccc1C#N 468919967 IOHAFUBMMZMDFL-AWEZNQCLSA-N 427.511 1.608 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 500608164 ANGKRHOFEPOPOR-RYGJVYDSSA-N 441.509 1.640 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508814712 WBSRVQXZKRZHTR-UHFFFAOYSA-N 440.504 1.076 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 522534186 WWYYGRWQFDOWCH-MRXNPFEDSA-N 443.544 1.499 30 10 IDEE N#Cc1cccc(CC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 530910064 BXVBHGNZRVSTQW-UHFFFAOYSA-N 426.498 1.625 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCN(CC)C3)nnc12 531079855 BDXDLCZGQNRKRK-HNNXBMFYSA-N 426.546 1.780 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1ccc(C)cc1C 543660031 ZOIFIQIUYSPPRT-UHFFFAOYSA-N 448.504 1.982 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2C[C@@H]2CCOC2)cc1 549594761 QYYFZABKGNIIQL-PGRDOPGGSA-N 425.489 1.761 30 10 IDEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549693274 JOBHAENKVFVOEK-IBGZPJMESA-N 449.515 1.787 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO2)CC1 549857605 YZIYJAHXLIXGPM-SFHVURJKSA-N 436.520 1.286 30 10 IDEE Cn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 606631328 YIYORJLDVMNSSE-WSDLNYQXSA-N 433.428 1.836 30 10 IDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 610004932 UXAHODDPMYSLCP-CYBMUJFWSA-N 431.436 1.837 30 10 IDEE COc1cccc(C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1OC 611088981 BTIRFFANMMWEGI-UHFFFAOYSA-N 443.525 1.807 30 10 IDEE N#CCc1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 619461348 PATPIOFTDSLZHF-UHFFFAOYSA-N 437.499 1.280 30 10 IDEE C#CCN(C(=O)CSc1nnc(C)n1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 729332384 YDNBRHFORAVMJH-MRXNPFEDSA-N 434.543 1.325 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOCC 729669404 OYHCFZBOKRSOEJ-UHFFFAOYSA-N 439.541 1.013 30 10 IDEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 731213376 ALLDYZJPAFJLPU-OAHLLOKOSA-N 448.463 1.791 30 10 IDEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732153813 KREFQZCURIZWGV-XDOYNYLZSA-N 439.516 1.593 30 10 IDEE C#CCN1CCN(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 749877458 YSUNVJKXJCJMQT-VWLOTQADSA-N 430.508 1.454 30 10 IDEE CC(=O)N1CCC[C@@H](COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 766476635 ZWXWKQINANMJEG-GOSISDBHSA-N 433.530 1.761 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 777284291 DJEPEYWSIHPENE-KRWDZBQOSA-N 437.518 1.920 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Br)[C@H]1CCS(=O)(=O)C1 781651027 SFAOZYXRWCDRMR-LBPRGKRZSA-N 448.360 1.505 30 10 IDEE CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801883374 BAUCUBMPYOCWDI-MRXNPFEDSA-N 428.566 1.743 30 10 IDEE COc1ccc(C2=NO[C@@H](CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)cc1C 802142766 DYEXZAPAULWVCL-MVZUJROASA-N 427.461 1.322 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 802604302 MCNWQICXGIUYDP-KRWDZBQOSA-N 426.477 1.921 30 10 IDEE C#CCN=c1nc(N2CCC[C@@H]([C@H]3CCOC3)C2)[nH]c(N2CCC[C@H]([C@@H]3CCOC3)C2)n1 804565749 RWJFBTVYJPUGDD-UJOPUZHASA-N 440.592 1.844 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 809896004 CHPDOLUPUSNKIE-MRXNPFEDSA-N 432.525 1.584 30 10 IDEE C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 811365025 OTONTWMEWUCBLO-LEBIAJIWSA-N 432.476 1.147 30 10 IDEE CCO[C@@H]1C[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cnn(CC)c2)[C@@H]1n1cccn1 814709302 YFZYFAJBFJFCHE-LHHMISFZSA-N 445.549 1.586 30 10 IDEE Cc1cccc(C)c1OCc1nnc(S)n1N=Cc1nccn1S(=O)(=O)N(C)C 814780676 FDVFNKDTGMRWEW-UHFFFAOYSA-N 435.535 1.496 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)c(F)c1 856621339 XMHLPMRLTYVTEU-UHFFFAOYSA-N 427.480 1.743 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3F)n2)cc1 1084558710 IVPPSFDFLCFBGL-UHFFFAOYSA-N 449.493 1.768 30 10 IDEE CO[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)OC(C)(C)C 1125188746 HLVOVEOXSCIXKM-WASCAKKMSA-N 425.507 1.795 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ncc(Br)cn3)C2=O)cc1 1134576532 BDOIRQCTUGSNOS-CQSZACIVSA-N 443.261 1.632 30 10 IDEE C#CCN(CC(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1)C(=O)OC(C)(C)C 1136181465 OKNPUQHTGXPCKG-UHFFFAOYSA-N 430.505 1.777 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc2n(n1)CCCC2 1144035777 SDHDQOYYDZJKOX-GOSISDBHSA-N 429.546 1.989 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1152028944 GJNSHENOHCYYKG-KRWDZBQOSA-N 434.468 1.802 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1 1153093075 ROJDAUBUPVDNNT-QAQDUYKDSA-N 429.502 1.789 30 10 IDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cn(CCCC#N)c2ccccc12 1167408968 CBDHNMAWNCFHTQ-KSSFIOAISA-N 437.456 1.253 30 10 IDEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCOCC1 1195013644 KCTFPLQYGDYMSX-UHFFFAOYSA-N 426.560 1.712 30 10 IDEE COC(=O)[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1198140915 QHJOLQSOZPZQTH-IAGOWNOFSA-N 428.489 1.427 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)C1 1211877706 CEBSJZKTOWHTBZ-ULQDDVLXSA-N 428.555 1.425 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](COC)OC 1286277337 YBQDEYNOKSEXSL-GDBMZVCRSA-N 434.566 1.666 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOCC1(C)C 1286278255 BOKVXFWKBCCDHB-KRWDZBQOSA-N 445.589 1.917 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c(C)nn(C)c1C 1286365253 AMWCLFUKDANLLA-UHFFFAOYSA-N 441.561 1.663 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1286412197 CIVCEBKYDBYRFF-UHFFFAOYSA-N 426.542 1.076 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCOCC1 1286441565 ZPQRPTAICBAYKJ-GOSISDBHSA-N 435.536 1.349 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286459899 WEJALGCKCKPPQT-HDICACEKSA-N 429.569 1.652 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286607337 OSSHPEMCKAVFFT-UHFFFAOYSA-N 428.541 1.958 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286618686 FMGSQYURHRWFOQ-UHFFFAOYSA-N 425.965 1.159 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286706848 UZLRAWBQDCVLRC-JKSUJKDBSA-N 425.493 1.233 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286710034 LEPCIDPTEJLSSE-KRWDZBQOSA-N 434.541 1.879 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](COC)C1 1286779831 NJNYFSDSMHZWHN-SFHVURJKSA-N 431.493 1.116 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1286783278 IZRHDOLBMIUSFA-UHFFFAOYSA-N 426.502 1.030 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286789036 NMVZVRGBYXVLPA-QFIPXVFZSA-N 426.521 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CC)C1 1286817135 QEJZOGMLHRZQGG-QGZVFWFLSA-N 448.545 1.932 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1286824594 FPIVGPYADSSHHD-UHFFFAOYSA-N 436.626 1.980 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286949721 OQFHXRWHKTYZRL-NRFANRHFSA-N 437.548 1.644 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1287418556 CBFVIYAPQIVDQP-HNAYVOBHSA-N 436.306 1.761 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1290247291 LWIZLYASTBIIQR-MRXNPFEDSA-N 426.336 1.195 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1290560468 CSMSNZNRFYAZOR-UHFFFAOYSA-N 425.463 1.246 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1297587911 SIUHAVRDFLCLTJ-INIZCTEOSA-N 448.549 1.235 30 10 IDEE COC(=O)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1299393780 MYFIJZRPJVGGFY-HNENSFHCSA-N 428.493 1.146 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1 1300325017 QVQJQDPYBDQLCS-HRAATJIYSA-N 432.546 1.427 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1300422080 XSBZXQYFGPGASP-HZPDHXFCSA-N 426.546 1.930 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1300464449 FJSCMKZEJLKTHO-PKOBYXMFSA-N 431.562 1.793 30 10 IDEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1300692209 CNWPWUONKZYXOQ-UHFFFAOYSA-N 426.502 1.749 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCC2)CC1 1300721882 BUKSIQNVQZFYPL-HXUWFJFHSA-N 428.581 1.971 30 10 IDEE C#CCSCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300778112 MOPPUSDCDRTCIA-LEWJYISDSA-N 435.594 1.648 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1300992444 ZNRLHFGFZWXORI-LSDHHAIUSA-N 430.475 1.895 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)c1 1302429066 DEYVTTBFYPJYGF-LJQANCHMSA-N 437.497 1.190 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c1 1303385354 CMRQSMUFLUNCOJ-VAMGGRTRSA-N 446.569 1.756 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1303639961 HJQPNWQGBZEKMU-OKRNOHDPSA-N 449.602 1.845 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)c1 1307445896 MMGDHUOGLFXBIQ-QGZVFWFLSA-N 428.489 1.050 30 10 IDEE CCOC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1314427836 GJFZNNIANNWBJX-BJFAEBDGSA-N 444.536 1.909 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@@H]1CCCO1 1339624211 OPPURTUAMOKFOQ-FQEVSTJZSA-N 449.576 1.703 30 10 IDEE Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1348904225 VGQHKCYWKZUDKH-KRWDZBQOSA-N 447.538 1.893 30 10 IDEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 1354360888 RBDHUQJRTJWZJT-VUSLFOADSA-N 444.517 1.673 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1359041705 FTCQTVSEXGRHNM-FQEVSTJZSA-N 434.500 1.198 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(CC)C2CC2)CC1 1359046014 AMKAAXWNSLOKAL-UHFFFAOYSA-N 435.576 1.714 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359056119 YLMJFYCDTXQBFF-SJORKVTESA-N 440.577 1.491 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC 1359114144 ZBAJZJJMQNMEAV-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1359133499 SXFQCHCMFVHJKK-YLJYHZDGSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1359299021 RQCZRICOAXIXCI-LJQANCHMSA-N 431.500 1.697 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 1437635057 CMUDUURONTYLHE-UHFFFAOYSA-N 445.570 1.764 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1443585196 PFNNZUFDZVIAFM-AWEZNQCLSA-N 437.338 1.620 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNC(=O)c1ccccc1F 1445055589 ZGWXAZSLIAKSSE-AWEZNQCLSA-N 432.477 1.300 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)C2)C1 1456862974 SKUKIRXRWJYORA-WTQNDHMWSA-N 432.565 1.831 30 10 IDEE N#Cc1cn(C2CN(C(=O)CCCCNC(=O)OCc3ccccc3)C2)c(=O)nc1O 1457205572 ZERZKVAJXRCAKG-UHFFFAOYSA-N 425.445 1.301 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2)c1 1463086188 JNXVHCWVXXAOAH-UHFFFAOYSA-N 447.557 1.311 30 10 IDEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCOCC1 1464127753 XVLJSGDKCGPDBC-IBGZPJMESA-N 426.560 1.568 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)cc1 1469499646 HGDOGEFDUSPTDS-VQTJNVASSA-N 442.493 1.333 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@@H](CCC)CC3)CC1 1476492018 VFNRKDQDFGWMRW-AWEZNQCLSA-N 425.580 1.665 30 10 IDEE Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1492974010 AHFVEQCTECUNDH-DIFINONLSA-N 443.508 1.216 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1503370712 ACOGBVMZQWBRPM-UHFFFAOYSA-N 439.520 1.962 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CCC)CC1 1507732544 WJYPIRYBIKHIDB-UXHICEINSA-N 448.637 1.200 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507773646 UWLZXXAGTGAZLF-SELNLUPBSA-N 428.581 1.717 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1507947318 BOFXRQTWWFIXBB-IBGZPJMESA-N 437.548 1.956 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1508147921 NKZPPGATEXDHDQ-FQEVSTJZSA-N 430.534 1.840 30 10 IDEE CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1512662242 KPYUJBAJNKHFGZ-RTWAWAEBSA-N 429.546 1.993 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1521129235 IWQRMQMVJQXLCT-PKOBYXMFSA-N 440.504 1.427 30 10 IDEE CS(=O)(=O)CC1(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1531903725 WCFFBQCCIFAAEI-MRXNPFEDSA-N 432.502 1.094 30 10 IDEE N#C[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(OCc2ccccc2)cc1 1537600985 ALIJRJGMHGDKDT-MOPGFXCFSA-N 432.440 1.960 30 10 IDEE Cc1nc(SCC(=O)NCC(=O)NCC(=O)NCc2ccccc2)c(C#N)c(C)c1C 1537756496 INDZZEXWHUJGAM-UHFFFAOYSA-N 439.541 1.519 30 10 IDEE COc1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc(OC)c1OCC(N)=O 1538861256 CZYSNJNRDSPXKZ-IBGZPJMESA-N 425.441 1.653 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1539202352 HFDFRTOZXDMNHW-XGHQBKJUSA-N 436.578 1.540 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1539202797 LJLUIELAEGIWBJ-SJLPKXTDSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539220692 UWPNDDRCXGBMFP-IBGZPJMESA-N 429.546 1.668 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539221904 SLRIZZYYCZWUBS-OALUTQOASA-N 444.557 1.878 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N2CCOCC2)CC1 1539462369 UKNWOVVYVAHUHN-LJQANCHMSA-N 442.539 1.472 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1540922741 WXWYTOGPWLRCCJ-UXHICEINSA-N 437.566 1.880 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1541687424 RUHIBZOOINPPBK-UHFFFAOYSA-N 445.531 1.848 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1Cc1cn(C2COC2)nn1 1541806192 GRFVPTRKRPTLTB-CQSZACIVSA-N 426.456 1.946 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCc1ccccc1 1541945737 KUBFSBJLKCQFNK-FUHWJXTLSA-N 432.550 1.640 30 10 IDEE C[C@@H](CN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 1557807839 JGIBLCOABSHAKR-AWEZNQCLSA-N 438.550 1.877 30 10 IDEE C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 1559930700 DWNGILIUEVYZTG-INIZCTEOSA-N 431.496 1.925 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CC1 1562165863 QPKKNKQBWRQLEL-UHFFFAOYSA-N 437.522 1.490 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1570032089 FZLMCLSMKRAMGM-ROUUACIJSA-N 426.560 1.975 30 10 IDEE C#CC[C@H](NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OC 1570218244 BCXJVFNGXZBRCZ-NSHDSACASA-N 426.800 1.318 30 10 IDEE C#CCCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1587794074 ZWWOSWSEWXCRAQ-URXFXBBRSA-N 444.624 1.950 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1587803621 HZXJBXSMNMXIDS-HNNXBMFYSA-N 428.924 1.942 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1588050360 RSZPOJMJODLVET-AVAKVYKDSA-N 446.577 1.511 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588054653 PHOFXRIBPSHSTL-RBUKOAKNSA-N 441.557 1.407 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1589216540 QYVBGEUXIJAEKW-WIYYLYMNSA-N 447.561 1.861 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589288040 HXPISOXRGONCKD-LBPRGKRZSA-N 436.376 1.584 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1594807301 KSZJHIYIWGMVEM-HUUCEWRRSA-N 430.475 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595476831 NUFKHHMUMXJEFK-WBVHZDCISA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1595555602 DZCWVMJEGHJZQH-UHFFFAOYSA-N 438.561 1.658 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1595805683 SEKJJSUVYSVWAI-OAHLLOKOSA-N 435.525 1.276 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)C1 1611769174 LPSMVAHYXMGKFT-AUSIDOKSSA-N 443.596 1.767 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)cs1 1612402274 DXEWYWGJMJRWTO-GOSISDBHSA-N 438.554 1.901 30 10 IDEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1618844574 GOCONRMXQHZSQF-GOSISDBHSA-N 432.550 1.475 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC2CCOCC2)CCO1 1620354374 CNKRNGKEQUOOHA-QGZVFWFLSA-N 425.493 1.861 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1 1624442727 LMRGQUAOAHKTOG-ANNUQZOISA-N 426.473 1.386 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1633208565 KFQXXPGDLFPCOR-CQSZACIVSA-N 437.497 1.409 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2snc(OC)c2Br)cc1 1633517929 KVARVTGMICBSPQ-UHFFFAOYSA-N 444.332 1.756 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)c(O)c2)c1 1638972413 PJVWPYJUFOBKBQ-IBGZPJMESA-N 431.466 1.842 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(C3CCOCC3)CC2)ccc1F 1641171972 GDURPBOYIHRPMG-UHFFFAOYSA-N 425.526 1.663 30 10 IDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 1646094920 CTDSWXOTGRMSPU-HNNXBMFYSA-N 433.559 1.823 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C2 1646251193 USTLEIXYPUOBRA-MTIYJEKLSA-N 449.536 1.890 30 10 IDEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CC1 1666519404 CRTHYHYJXMHAAQ-UHFFFAOYSA-N 437.518 1.098 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)C1 1673010790 VLOKQZFGFZXVLG-INIZCTEOSA-N 448.365 1.947 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCC[C@@H](CC#N)C3)CC2)cc1 1674219524 UQBQZAZJFAKCDU-SFHVURJKSA-N 449.577 1.482 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC(C)(C)[C@H]2COCC23OCCO3)C1 1681433301 FSCUGBDXUOQCNJ-ARFHVFGLSA-N 438.525 1.460 30 10 IDEE C#Cc1cccc(CNC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1683338878 DPEOMBGAWORMHO-GOSISDBHSA-N 435.546 1.891 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690115386 DJTBDAINBMUNND-IBGZPJMESA-N 435.532 1.251 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690431011 YRUJSANTVHGBEH-MSOLQXFVSA-N 445.612 1.868 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCC(O)CC1 1690525243 BOIXOFFVRWRULS-UHFFFAOYSA-N 440.596 1.921 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690674297 WCEMISPPGPRTHF-FUHWJXTLSA-N 439.520 1.059 30 10 IDEE Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)n(C)n1 1693399831 HSFAHCARQHLLRN-AWEZNQCLSA-N 431.298 1.855 30 10 IDEE CN(Cc1ccon1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1696729589 CJINRYKQHKMTEZ-GOSISDBHSA-N 441.517 1.865 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COCCO1 1697627710 DZCROBONLCFFTM-CVEARBPZSA-N 431.518 1.723 30 10 IDEE COCCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1=O 1698097834 KBSJTFGIOLWJNQ-UHFFFAOYSA-N 426.502 1.738 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1cc(CO)nn1 1705485976 UFWWOMMJIYQAGY-HNNXBMFYSA-N 425.493 1.594 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1705561386 PPIUCAQTFBCCRP-LJQANCHMSA-N 431.562 1.202 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCOC1=O 1705575592 PMSDZFIBCRKTKP-UHFFFAOYSA-N 431.294 1.951 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1705581273 ZBWHMEQFYZRTTC-OAQYLSRUSA-N 426.546 1.472 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1705627652 MVHXRTTYJMMIBI-HOTGVXAUSA-N 434.541 1.571 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1705632144 IVFWKRYYWRHEIN-KRWDZBQOSA-N 447.584 1.475 30 10 IDEE C#CCSCCn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705665613 YWBGNWDLAVONOP-OAQYLSRUSA-N 435.594 1.649 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1705754685 DCSYAFCHYVBXSH-HOTGVXAUSA-N 447.989 1.411 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705877633 CBSMSSXOHLHUCS-DENIHFKCSA-N 446.573 1.567 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1705896437 MSVLVJHYPAVHCS-QFIPXVFZSA-N 427.505 1.881 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cncn2)C1 1705920053 PBIOUOXDZRGKSE-KRWDZBQOSA-N 443.533 1.422 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1 1705943589 FQOHBYHVRYZDJY-UHFFFAOYSA-N 425.536 1.160 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1708152753 HURVKVCZSYHZDF-QRQCRPRQSA-N 437.552 1.431 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1709829766 AJWNECCOAPCGNS-UHFFFAOYSA-N 448.535 1.967 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1710334454 NUVJFMASPANZCP-UHFFFAOYSA-N 439.545 1.701 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1712183391 ONCDJXMVSMBIDC-DJIMGWMZSA-N 431.424 1.827 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712381534 XKIWKJADTTUIBT-LJQANCHMSA-N 427.553 1.991 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)CCN1C1CC1 1712885051 YBFXJZCNTMEIJT-NEPJUHHUSA-N 444.284 1.393 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1722295759 LUNPHYKDXVTMLZ-UYAOXDASSA-N 445.589 1.928 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722305897 FAXUTDJPFKPMGH-QGZVFWFLSA-N 436.520 1.769 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722334976 NTHFLZWOBUYEPA-IBGZPJMESA-N 428.562 1.682 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCN1CCN(C(C)=O)CC1 1722378375 BFTIBYCAHCXLFQ-UHFFFAOYSA-N 430.512 1.928 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1722397843 NUOVMOVDNRRWKF-UHFFFAOYSA-N 426.546 1.518 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1722504788 PKLASWRCWDKBPT-HBFSDRIKSA-N 427.553 1.788 30 10 IDEE C=CCCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OCC)CCOC1 1722622599 LEDAYKVPVLJWCS-HRAATJIYSA-N 444.540 1.428 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1722675292 ZAIRKVJESRMRMA-MRXNPFEDSA-N 425.555 1.120 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1722680583 RFVYETCNNMAFGV-ZACQAIPSSA-N 448.568 1.966 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)C1 1722710524 KJFVYXNQFNKUQH-TZMCWYRMSA-N 441.583 1.072 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722730103 IOELSFLQTGRSDQ-LJQANCHMSA-N 448.593 1.923 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC(C(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1722934282 NRMNTAIGBYGTRD-HTXNQAPBSA-N 429.525 1.095 30 10 IDEE CCN(CC)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1728408934 JSXKQGZGOCFOKD-CVEARBPZSA-N 449.581 1.569 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1728800950 BMAWHAYQCYNRNF-MOPGFXCFSA-N 425.555 1.495 30 10 IDEE CN(C)C(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729311509 OEHNGOADQVPULB-MRXNPFEDSA-N 443.502 1.802 30 10 IDEE COC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1729789870 NSMDXOCBMGNHAP-HFUDNHEJSA-N 431.497 1.205 30 10 IDEE COCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730678562 WJJNYRLKKOXALL-QGZVFWFLSA-N 428.541 1.449 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1730997767 FOYUIBCXJRFXEY-CVEARBPZSA-N 437.472 1.864 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740565604 YCBDZYRYEXKIIE-IBGZPJMESA-N 441.580 1.060 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740620971 IXVFAOMDYJSVLR-MRXNPFEDSA-N 444.586 2.000 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1740626551 BVVJKFNKKTWGOM-GOSISDBHSA-N 434.566 1.345 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740686056 OBCWTKPTDCVPCG-NYUBLWNDSA-N 436.578 1.207 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1740689146 PXDVCBMYPCGNSI-KRWDZBQOSA-N 428.512 1.778 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740883369 RGSCVNFJTFFPOW-JOCHJYFZSA-N 439.520 1.747 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740918051 JWLGHEPMTJGVMZ-KNQAVFIVSA-N 446.573 1.914 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1740926062 QPLZWZACMVBSAI-JKSUJKDBSA-N 425.555 1.610 30 10 IDEE C=CCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949925 XVZCQHKBESJJEE-XMSQKQJNSA-N 432.569 1.248 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740964804 IUFCEHPNWCKILG-QHCPKHFHSA-N 448.612 1.932 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1740970528 NIUTUWQFFVPXBZ-PMACEKPBSA-N 446.596 1.652 30 10 IDEE CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1747185500 GIBBDUUBDHBBKP-HNNXBMFYSA-N 427.509 1.117 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)C1 1748130051 CVVYTBGGMCKQKC-QFIPXVFZSA-N 425.537 1.357 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(O)CCSC2)c1 1748694955 VNUGLAZIJBRIKD-NRFANRHFSA-N 429.546 1.739 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNc1nccc(C(F)(F)F)n1 1748907404 UNIVOQJPSQROLK-UHFFFAOYSA-N 436.442 1.895 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nccn2C(F)F)CC1 1749001429 QTKZHTHLMCTOFF-RDJZCZTQSA-N 435.479 1.397 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(CC)CCC)CC1 1749001720 ZURKSOKQXXMHIZ-UHFFFAOYSA-N 443.596 1.212 30 10 IDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1749040140 OIZKINOHBDNAHQ-UHFFFAOYSA-N 427.574 1.839 30 10 IDEE C#CCSCCn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749048500 OLBNKTRUMJXHKV-SIKLNZKXSA-N 449.621 1.990 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1749680170 FQQIPUWIOBCZQJ-IRXDYDNUSA-N 448.568 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749734708 LBHDXUDMDDGAPU-SJORKVTESA-N 439.582 1.124 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749751536 YDEFOYDHZZXZAA-UHFFFAOYSA-N 431.566 1.767 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(N)=O)nc1 1749957801 VBVXTHAJVJYJHJ-HNNXBMFYSA-N 427.509 1.674 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1751171443 HEKCRCQNIFYJAR-QEEYODRMSA-N 433.534 1.226 30 10 IDEE Cc1ccn2cc(Cn3c([C@H]4CCS(=O)(=O)C4)nnc3N(C)C[C@H](C)C#N)nc2c1 1751440285 DBCOCYXUYPOOFN-CVEARBPZSA-N 427.534 1.781 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760144965 FUQGEGUSROSIQR-GGXPGOJBSA-N 425.555 1.074 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1760152684 VOMYRVKATGXHAL-INIZCTEOSA-N 433.516 1.755 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760186491 NWLBEHYIJDXKCV-ZWKOTPCHSA-N 437.610 1.214 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760275789 ISTFURWQMAJZNP-OAHLLOKOSA-N 447.586 1.382 30 10 IDEE C#CCSCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760286770 VCFMECXFBMWWGN-NRFANRHFSA-N 435.594 1.790 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1760440566 MOJGDOUTSCCMDO-ZDUSSCGKSA-N 425.477 1.966 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760525914 WLPBHBOVPUOAJD-QGZVFWFLSA-N 443.577 1.527 30 10 IDEE C=CCNC(=O)Cn1c(N(C)CC2COC(C)(C)OC2)nnc1[C@@]1(OCC)CCOC1 1760527558 AHBIPOAVFPKCBB-OAQYLSRUSA-N 437.541 1.068 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CCC2)C1 1760534185 SIQNSAOEUZTYEU-OAHLLOKOSA-N 425.555 1.165 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1760698192 DJLXFLYWYVTHQO-MRXNPFEDSA-N 444.561 1.643 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@@H]2C)CC1 1761192510 ISRMZEQKIXYKTF-QFBILLFUSA-N 435.532 1.646 30 10 IDEE CCN1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1767158280 FGLPHTIPYJVWGR-OAQYLSRUSA-N 441.555 1.764 30 10 IDEE CCO[C@@]1(c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1767494678 ADDHXUWUCWAUBU-UYHXVSTDSA-N 448.499 1.251 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CCO1 1770748900 SXNWKKZOEOJEJY-MSOLQXFVSA-N 447.586 1.842 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1 1771112164 HKKPCRDHYZRHAE-CVEARBPZSA-N 427.596 1.832 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1771534166 PJNIDVJPYRSLEE-WOJBJXKFSA-N 438.488 1.653 30 10 IDEE COc1ccccc1OCC#CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 1849826164 UMJVLJSEXODZIB-UHFFFAOYSA-N 426.494 1.891 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1851985369 FYVIUIBWUYXDOC-KGLIPLIRSA-N 425.555 1.035 30 10 IDEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(C(=O)c4cnn5c4CCCC5)CC3)cn2c1 1853051650 PGVUMUAWXCEXKA-UHFFFAOYSA-N 437.891 1.990 30 10 IDEE CO[C@H](C)C(=NOCCCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C)cc1C 1853443510 OIRFIRFZRDLDQU-GOSISDBHSA-N 426.583 1.584 30 10 IDEE Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)c1 1854626876 MWOGPQJWPFSNKX-MRXNPFEDSA-N 427.482 1.694 30 10 IDEE Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(O)c1-c1cccnc1 1858574864 GDFRYWBHASJEPJ-UHFFFAOYSA-N 436.497 1.935 30 10 IDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870099516 JREQDOHXWNYJCG-UHFFFAOYSA-N 426.370 1.515 30 10 IDEE CC(C)N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)CC1=O 1870150879 JGNMAKCVNQDJKC-MRXNPFEDSA-N 436.520 1.086 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870563994 XBXMOTCRPPAUJN-UHFFFAOYSA-N 426.492 1.458 30 10 IDEE COC(=O)[C@@H](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)NC(=O)OC(C)(C)C 2010517038 SWAQQIWGWKUACH-ZWKOTPCHSA-N 430.505 1.679 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cnccn3)=C(O)C(=O)N2c2nncs2)cc2c1OCO2 2033815652 MYWOCGUXKWYMFK-CQSZACIVSA-N 439.409 1.848 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243426548 ZDHVUGUSCDSFRY-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1 2249674504 FEFZZGRTLHLPQN-HNNXBMFYSA-N 427.361 1.919 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2255545023 JYBQNDJVKNLMFJ-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255626975 MIWYLIYXTLXSNJ-YWVIFJGQSA-N 432.330 1.646 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2255656384 ZSIJVEAJUOGJRT-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255680469 MKGFRJJHFMYHRX-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE CC1(C)OB(c2scnc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255811154 IBMFFNYBBOSNRV-LLVKDONJSA-N 447.288 1.973 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255819213 XPOPISOFDQVKGP-CQSZACIVSA-N 438.330 1.927 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2255841478 CKMBRAREXKCPEE-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2255877164 VBFXBPVQBTYLJE-UHFFFAOYSA-N 432.330 1.953 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)ccc2F)OC1(C)C 2255943772 URVXPGUCQQNFEY-UHFFFAOYSA-N 448.325 1.801 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267267508 KRNDTEUAMYVTGG-LBPRGKRZSA-N 442.247 1.307 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC12CN(C(=O)OC(C)(C)C)C2 2267272213 XRWKDYBTYZVIME-UHFFFAOYSA-N 447.345 1.340 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267487946 REOMUYNGPWRXQW-OAHLLOKOSA-N 449.357 1.738 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(Cc2ccccc2)C1 2267580945 LZXQXRAJHVQKAL-AEFFLSMTSA-N 439.369 1.755 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267588918 SHTUVYCMUVDSBW-MRXNPFEDSA-N 449.357 1.681 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2301725169 LOISKGWWNNEGHA-LBPRGKRZSA-N 441.359 1.712 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2306547155 UAKISCXPORFYOS-NJNPRVFISA-N 430.505 1.443 30 10 IDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OC)ccc21 13794909 QVPZZRZHNYEXOF-DNTCVELPSA-N 435.527 1.364 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)c(OC)c1 21324481 WWQVFQUFRKMJPI-FSJBWODESA-N 442.505 1.971 30 10 IDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CCOC)CCOC)C2=O)cc1 96573432 HOYNBWYDFSDHGU-QFIPXVFZSA-N 433.505 1.530 30 10 IDEE Cn1c(=O)oc2ccc(S(=O)(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)cc21 238865747 LSVHLEHJRFBVNN-JOCQHMNTSA-N 429.458 1.462 30 10 IDEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc21 429718321 ATGGALPCXQCMBP-XMMPIXPASA-N 433.512 1.677 30 10 IDEE N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1 460896744 NRYWXHPBVOPSJJ-UHFFFAOYSA-N 447.538 1.795 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 478735106 GHSOCYKYLJFZRA-KRWDZBQOSA-N 446.532 1.780 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)C2)nc1 490026263 PJOGTIVMBZPRKE-QGZVFWFLSA-N 426.452 1.687 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 503625812 DVMVCMQMEINSJK-UHFFFAOYSA-N 430.461 1.825 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)CC1 503963179 MSEXDRHADOVCNX-RXVVDRJESA-N 426.561 1.432 30 10 IDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 513790309 VUDLOOZDVQGYMO-KDURUIRLSA-N 432.590 1.454 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)CC1 522308837 JAVSIMXJSXQCBB-KRWDZBQOSA-N 435.956 1.557 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2cccc(OC)c2)CC1 549325962 BWNMAKUPMMPBME-IBGZPJMESA-N 427.505 1.913 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCCO1 549471695 FCDNFCWWJOXPCC-PKOBYXMFSA-N 441.536 1.774 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OCC)cn2)CC1 549692572 CFYVWHSDZKRGQD-GOSISDBHSA-N 442.520 1.840 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 553781781 PKDZLNUYRRHPDK-LXDLAPCHSA-N 427.486 1.167 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2C[C@H]2CCCO2)c1 559100579 KNHBEPVSBLVSED-HXUWFJFHSA-N 435.532 1.396 30 10 IDEE CCS(=O)(=O)N1CCC([C@H](C)N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 576976377 YGNUKBUUEMVWBV-AWEZNQCLSA-N 431.555 1.909 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 604001425 DOWUQHBIAQWZLR-UHFFFAOYSA-N 436.518 1.098 30 10 IDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669813047 LXOVQYKOUMPECW-CMKODMSKSA-N 434.585 1.567 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2c(C)cc(C)nc2O)C1=O 726115559 QXHBKCNWQXCGEV-LWYOUWALSA-N 427.530 1.978 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730143583 USXUUUHNUQDNNL-SJLPKXTDSA-N 447.605 1.827 30 10 IDEE CCCn1c(CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nc2cc(S(N)(=O)=O)ccc21 732649584 KRTPVUGTMHBGPB-INIZCTEOSA-N 444.561 1.225 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=O 742171596 PMIYOFVQAVDMRG-ICSRJNTNSA-N 426.517 1.580 30 10 IDEE Cn1c(=O)c(C(=O)COC(=O)Cc2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 750431684 VXOWOLHBZJQMCJ-UHFFFAOYSA-N 432.436 1.018 30 10 IDEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NS(=O)(=O)Cc1ccccc1C#N 750678818 QMJINTHREQTDHN-HXUWFJFHSA-N 442.472 1.872 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C1 756884385 NBFPZDTVLWYYAV-UAGQMJEPSA-N 428.489 1.872 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 759416552 DOORYGHOLBHRRV-OTZFSBHDSA-N 436.415 1.897 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(F)cc2F)C1 760318793 STPYKEHRFPFWCF-DOMZBBRYSA-N 439.488 1.836 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N3CCOC[C@H]3C3CC3)CC2)cc1 765529197 JSQSBPKZYQRCNG-FQEVSTJZSA-N 435.546 1.790 30 10 IDEE CCCCOc1ccccc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 766387864 NZXKFBIDMOCAAD-UHFFFAOYSA-N 438.553 1.448 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)CC1 767353504 UPEDSVBXZURBKK-UHFFFAOYSA-N 441.347 1.763 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCSC[C@@H]1CCO 769004999 QFHYYULUDIGXPD-HNNXBMFYSA-N 425.576 1.612 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1CCS(=O)(=O)C1 774219394 HTONSWVZWHREQT-LSDHHAIUSA-N 427.473 1.699 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2cnccn2)C1=O 774581373 HLZSHHLSTNPRMV-SFHVURJKSA-N 426.546 1.719 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 779379353 APUGNINVADHWTI-CJNGLKHVSA-N 444.340 1.931 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 798107948 SONPHGYUHQDQGM-DGCLKSJQSA-N 438.330 1.192 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCO3)CCO2)c1 802689071 JLYCYLFBTNYQPM-HSALFYBXSA-N 425.489 1.995 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 816896003 ZBWPQCIZPQJVCE-JOCHJYFZSA-N 445.495 1.577 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(C)n1CC(C)C 917355239 CSKFNAPVSSCKEK-UHFFFAOYSA-N 439.585 1.343 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCN(c4ccccc4C#N)CC3)c2)NC(=O)NC1=O 1115946484 JJZJAEOLHWRPMW-QHCPKHFHSA-N 432.484 1.645 30 10 IDEE COc1cc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)ccc1C#N 1136683608 IPVKWUSHBKTWCB-UHFFFAOYSA-N 430.266 1.221 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1 1154958118 AGXKNCLYAGKFAH-DLBZAZTESA-N 439.603 1.501 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)cc2)[nH]1 1171208303 LVDZHSPFBCLWRP-XMMPIXPASA-N 445.479 1.974 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2cc(Cl)ccc2I)c(=O)n1CCO 1189977320 KXRQOCQHVJNUOQ-UHFFFAOYSA-N 445.644 1.489 30 10 IDEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC2(CC1)CC(=O)C=CO2 1198242694 SDPILOWDMGRQBE-IBGZPJMESA-N 427.545 1.861 30 10 IDEE Cc1ccc([C@@H](Cn2ccnc2)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)c1 1230713397 XLMWBPONFKUGKY-LJQANCHMSA-N 433.472 1.642 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)N2CCN(CCC#N)CC2)CC1 1255092014 HILYMGWLPPCXLG-UHFFFAOYSA-N 436.601 1.950 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCS(=O)(=O)C1 1286276917 ZSNCGSGKLMGVAM-NWDGAFQWSA-N 426.340 1.928 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCNC(C)=O)c1 1286309954 PXIFMYXDHLWYCN-UHFFFAOYSA-N 431.500 1.923 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1286389687 OPIVMINUXGLZHR-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286606583 VFPGERJJTWSCIX-WCJKSRRJSA-N 446.552 1.925 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1300363619 FIEMYHYXINDRHB-RTBURBONSA-N 449.621 1.673 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1cnnn1 1300448633 AOJYCLWDWKRTKF-UHFFFAOYSA-N 431.298 1.862 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1300496923 WLCVFYQWXKBWCK-DOTOQJQBSA-N 449.602 1.670 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2nnc(CC)s2)CC1 1300719878 UDRJBPIQBTZMKL-UHFFFAOYSA-N 436.545 1.768 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1300724708 CGEWLUXTCPRMHH-UHFFFAOYSA-N 437.548 1.086 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1300862758 DOZWADGPVYGGDD-AEFFLSMTSA-N 432.569 1.846 30 10 IDEE C=CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1301474073 SMITWPFXARTZJG-VGSWGCGISA-N 438.536 1.881 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1301474703 GFJYMNOIJYLPJP-SSEXGKCCSA-N 432.550 1.092 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301505796 AZYQNLBUMIFJKP-KRWDZBQOSA-N 441.467 1.580 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301577327 MZVYWCGCWDNWFG-MRXNPFEDSA-N 435.550 1.942 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1303641585 DCJFGJYAXBBGOJ-AWEZNQCLSA-N 441.517 1.917 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C#N)cc1 1315071595 FZLVGAPQDPCKTR-UHFFFAOYSA-N 430.559 1.988 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315823754 YPQOFEHDWKHQQU-IRXDYDNUSA-N 446.531 1.397 30 10 IDEE CN1C(=O)CN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 1355059149 CGOSQWJKVHPNIC-PGMHBOJBSA-N 435.506 1.112 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1358913694 VTFHLCWZUHYEPH-IEBWSBKVSA-N 446.577 1.778 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1358964134 UNFVMWQHNKGIPC-VQTJNVASSA-N 428.558 1.960 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC[C@@H]1OC 1359021567 TXDAFEYGYNLFPT-XLIONFOSSA-N 428.489 1.811 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359228769 NSCYWLIIGAFMDX-QFIPXVFZSA-N 443.552 1.479 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1443516447 POPRMECVYIWWBJ-OAHLLOKOSA-N 437.990 1.648 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)c1OC 1443588257 NQVNNRVJPRSSAO-KRWDZBQOSA-N 431.470 1.566 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCc1nc2ccccc2n1C(C)C)c1cc[nH]n1 1444568345 PFYOTQCZORQMQH-UHFFFAOYSA-N 426.477 1.983 30 10 IDEE NC(=O)[C@]12CCC[C@H]1CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1456468909 ZBRXPFOLAIJCNJ-BTYIYWSLSA-N 432.546 1.400 30 10 IDEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)N(CC(=O)N(C)C)CC(F)(F)F 1459025699 FYRRAHVJDOCJFG-UHFFFAOYSA-N 437.216 1.270 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(c2ccc(C#N)cn2)CC1 1460501588 LGDNKRWEIJDFES-HNNXBMFYSA-N 439.541 1.758 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@H]1CCC[C@@H]1C#N 1460603626 CTVUVHUTGDQEBU-PBHICJAKSA-N 426.489 1.422 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1470237782 VVQLYEYMOOYBKL-CABCVRRESA-N 443.547 1.284 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1 1472134844 JMQOBYPRGHHPKL-UHFFFAOYSA-N 441.509 1.776 30 10 IDEE CC(C)(C)OC(=O)Nc1cccc2c1CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1472220435 WWSUSZAGCWRMFD-UHFFFAOYSA-N 425.445 1.752 30 10 IDEE Cn1c(=O)[nH]c(NCc2cc(Br)cc(Br)c2N)c(C#N)c1=O 1472882421 OFMBCHHWJBVPIN-UHFFFAOYSA-N 429.072 1.665 30 10 IDEE Cc1cc(NC(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1473849741 CEXLTTUPWNAMNF-IIYDPXPESA-N 426.336 1.955 30 10 IDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C#N)cc2)CC1 1475194078 FNIMEHZXNMAVNO-UHFFFAOYSA-N 443.485 1.613 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1478737226 TXSNQJKTVHHAHS-UHFFFAOYSA-N 442.969 1.320 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1501566889 UBOBTQZAQKIPSK-LAUBAEHRSA-N 442.545 1.308 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1504230105 BMYOCPJKTITWTR-MRXNPFEDSA-N 434.447 1.182 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)C2CC2)c1 1507551068 UPTCMMFMRPLVDJ-JPYJTQIMSA-N 436.516 1.446 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1507616273 HWIFFENGBCIQGS-MRXNPFEDSA-N 448.568 1.961 30 10 IDEE C#CCN(c1nnc(C)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507624681 CUYFHWGJKNCREO-ZDUSSCGKSA-N 428.440 1.265 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)c2ccco2)CC1 1507724074 FYROYJRWUWHMCV-UHFFFAOYSA-N 448.527 1.656 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507724509 RCAJCMBESXJSQX-OAQYLSRUSA-N 436.608 1.045 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(C)C)CC1 1507726102 DUMRJTJBYYYWKD-UHFFFAOYSA-N 430.578 1.840 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1507936964 NGFXRFYNFNBPKA-UHFFFAOYSA-N 426.587 1.634 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1508079782 DCEKOOYPDDGHFT-MRXNPFEDSA-N 440.552 1.414 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1508112486 PPWWWKYRKLHPLJ-HRAATJIYSA-N 448.545 1.285 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1512589029 YSIGDXKLCLUTBL-KSMMKXTCSA-N 448.321 1.976 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1517351647 XAOAGPPNEKPOLK-HNNXBMFYSA-N 425.461 1.722 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(-n3cc(Br)cn3)nn2)c1 1528783622 IIOWVRYDWYXYPD-UHFFFAOYSA-N 439.273 1.799 30 10 IDEE COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(S(C)(=O)=O)c1 1529540566 HHXTZBOWXKPZDY-HNNXBMFYSA-N 441.465 1.740 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)C1=O 1538867990 ARPARPYLKQIZKS-ZDUSSCGKSA-N 427.335 1.013 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCSCC1 1539250644 QVCKYUOWSIGDQQ-UHFFFAOYSA-N 433.545 1.042 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@@H]1C 1539296926 WBZSWMYRQXZXAZ-FHWLQOOXSA-N 435.594 1.947 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1539359891 SJORZIVWEZZPAQ-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOC(F)(F)F)CC1 1539429688 BMYKMEGFSFEHQC-GOSISDBHSA-N 431.459 1.612 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 1539451093 MOIOCCAEALQASX-UHFFFAOYSA-N 446.592 1.794 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccsc2)CC1 1539482278 SBTPWUZMFJCPQQ-QGZVFWFLSA-N 447.586 1.256 30 10 IDEE C#CCSCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539531045 RBQRXMGZAGGGBJ-OAQYLSRUSA-N 435.594 1.744 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539612565 NOWXUOZMMCNWPA-GFCCVEGCSA-N 439.314 1.559 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)C(C)(C)C)CC1 1539849390 WRKQZCABMZRLTM-OAHLLOKOSA-N 430.596 1.550 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539913119 ZJPAFSIPKBFLNE-UHFFFAOYSA-N 441.580 1.856 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1540200610 FEYSNIOONSUXJD-INIZCTEOSA-N 437.541 1.750 30 10 IDEE NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1540568161 PFHFPJJALJRGMQ-SFHVURJKSA-N 449.404 1.915 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2CC)C1 1540890160 AWMMPDUJSSQBFJ-QAPCUYQASA-N 427.553 1.917 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1540916655 DKQLJTKWRIYEDG-LSDHHAIUSA-N 427.596 1.191 30 10 IDEE CC(C)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541346152 QGBWHJDQELNQEY-DYTRJAOYSA-N 441.536 1.423 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1=O 1541558300 DEQNFUWVXMTQKT-UHFFFAOYSA-N 444.561 1.556 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1[C@@H]1C[C@H]1CF 1541675490 NUMFSHVDYVVIKZ-IJEWVQPXSA-N 427.488 1.324 30 10 IDEE COc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)c1 1554991100 BNQNVOJYAWTNLD-NPPFBWRTSA-N 441.511 1.983 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1555420419 DBNBHFYLCJYLKS-WMZHIEFXSA-N 438.532 1.805 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCNC(=O)C2CCC2)c1 1555987530 IWHQYULRPWEGOV-UHFFFAOYSA-N 426.546 1.692 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 1556835289 JDYWHPNQEGPDCG-MSOLQXFVSA-N 425.595 1.959 30 10 IDEE C[C@H](C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1557434926 WOCMAEKOSJAOAO-UGFHNGPFSA-N 438.385 1.913 30 10 IDEE CS(=O)(=O)[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1C(F)(F)F 1557482228 MDLUDEQHEBRTGP-ZIAGYGMSSA-N 427.408 1.374 30 10 IDEE CNC(=O)CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1ccccc1 1560087454 CWEZDZIWUOSACP-QFIPXVFZSA-N 437.519 1.783 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1565875329 UFXYAATXMGHRJK-HNNXBMFYSA-N 441.916 1.716 30 10 IDEE Cc1ccc(I)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585138944 OIWAGAKKQODJRS-NHYWBVRUSA-N 430.267 1.610 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1587909525 MQPOOMFGIATNCE-INIZCTEOSA-N 440.639 1.319 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1588049700 KWPXQDZQSZKPLV-GDBMZVCRSA-N 445.511 1.666 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588050327 RITIOSKNECORJG-OAHLLOKOSA-N 432.550 1.205 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588053544 FNEZSMBZSMWGLR-IAGOWNOFSA-N 433.578 1.826 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588054632 OWSLCXRTGKPOGK-RTBURBONSA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588065315 WTJBNTOSNPRYDY-FQEVSTJZSA-N 443.573 1.707 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1588074769 RGNSEZNCHQDDIU-GOSISDBHSA-N 437.610 1.563 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1588233227 DOLZQVIBDYSAPH-GOSISDBHSA-N 443.548 1.964 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)c(OC)c2)CC1 1588732786 GDVGEESMZFIMOK-UHFFFAOYSA-N 440.548 1.431 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N2CCOCC2)CC1 1588769188 PFKPJDPKTHJJPM-GOSISDBHSA-N 439.520 1.329 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589528230 DQYGTVVARBACIY-ZWKOTPCHSA-N 430.553 1.310 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1593696267 MOLGBMCQAPIERZ-CRAIPNDOSA-N 429.612 1.814 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1595467149 QRKKQOSKCCHUGE-FQEVSTJZSA-N 445.886 1.606 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1595556601 YNTATXCVARVUSS-UHFFFAOYSA-N 434.903 1.898 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595569255 CTHMPWMTYWJWCL-LJQANCHMSA-N 443.596 1.056 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CNC(C)=O)CC1 1595593717 HIZINZMKPIWQEF-UHFFFAOYSA-N 444.511 1.651 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)nnc1-c1ccco1 1597195461 JTJTVJWFBQGSPN-CQSZACIVSA-N 439.563 1.604 30 10 IDEE CN1C(=O)N[C@](C)(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)C1=O 1611235375 DXDOMWZEPOHBDJ-IQMFZBJNSA-N 431.452 1.947 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCNC(=O)C(C)(C)C)CC2)c1C#N 1612469760 FZOOALQJOVGSPI-UHFFFAOYSA-N 439.568 1.558 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1618866078 DQCQJGPNUPNGHP-IBGZPJMESA-N 438.532 1.663 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1619023159 FYQYZAMDZCWKQC-NRFANRHFSA-N 447.561 1.883 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1 1619322161 ILGMMSVOURAOKD-MOPGFXCFSA-N 429.477 1.400 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CCC(=O)N2)cc1 1620352665 WPBCUNZAIISZBP-QGZVFWFLSA-N 437.504 1.099 30 10 IDEE C[C@]1(C(=O)N[C@@H](C#N)CO)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1624090586 HZQDYBLIWLEOJK-VMPBMTGNSA-N 435.480 1.761 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1624776193 ZLRJKJSTIIHYLW-UHFFFAOYSA-N 439.490 1.303 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CCN2C1=O 1630758380 QHCVBQHCYVDRLZ-XXUFKVEXSA-N 445.520 1.268 30 10 IDEE C[C@H](CC(=O)N1C[C@H](CO)Cc2cccc(F)c21)/N=C1/NS(=O)(=O)c2ccccc21 1631763888 OGPJMJYRHMMRIV-ZIAGYGMSSA-N 431.489 1.841 30 10 IDEE COC[C@@]1(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CN(C(=O)OC(C)(C)C)CCO1 1632223863 PNPIGWKYSQXQBI-PGRDOPGGSA-N 433.505 1.703 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCc3ccc(C#N)cc3)CS(=O)(=O)[C@H]2C1 1634135934 JXWKFUAHHAEIBZ-KSZLIROESA-N 433.530 1.845 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)NCCc2ccccc2OC)c1 1635550069 FMWYUBXOXOBTLK-UHFFFAOYSA-N 428.510 1.581 30 10 IDEE COc1cc(CNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)ccc1C#N 1636002017 YLDBCXLMTOJLJI-QGZVFWFLSA-N 430.505 1.946 30 10 IDEE C[C@H](CC(=O)N1CCCSC[C@H]1c1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 1636223419 HRNQHEQVHIVTCI-PBHICJAKSA-N 447.586 1.944 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 1638095067 GSRCXXMQNYIVEF-OAQYLSRUSA-N 445.497 1.440 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)s1 1639116101 CJCHVRHXMDXRRH-HXUWFJFHSA-N 431.539 1.877 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1 1640068263 JTSYWEZLAQQWTG-IBGZPJMESA-N 443.525 1.676 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)s1 1642045889 BZDONEKULAEKCN-MRXNPFEDSA-N 440.568 1.541 30 10 IDEE C=CCN(Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 1658452561 AFOKSTRLYASAAB-INIZCTEOSA-N 428.514 1.391 30 10 IDEE CCCCn1c(N)c(N(CC)C(=O)CN2CCc3c(CC#N)cccc3C2)c(O)nc1=O 1659651903 DSKSDMVIDXQXDG-UHFFFAOYSA-N 438.532 1.808 30 10 IDEE C#CC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1666758897 LCTJPUIWTMCLAM-DOTOQJQBSA-N 437.518 1.420 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(C(=O)OCC)C[C@H]2CO)cc1 1667321769 FRYCAECMWJJUJQ-WMLDXEAASA-N 440.522 1.064 30 10 IDEE C#CCN(C(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1683620100 CBFNWLLMTKGECQ-NWDGAFQWSA-N 430.470 1.046 30 10 IDEE C#CC[C@H](COC)NC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1684305145 XVNDDJHYNNIIMP-QZTJIDSGSA-N 438.569 1.914 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 1685772059 BXMRQOLRWPPPAR-UHFFFAOYSA-N 441.536 1.994 30 10 IDEE C#C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)C1CCOCC1 1687126158 HGHAILSFRXCXNP-BBWFWOEESA-N 431.455 1.672 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1689852142 BCZINKYQDZYCED-NVXWUHKLSA-N 446.552 1.571 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1689893511 ZGRHEBIMYVARLL-GOSISDBHSA-N 437.566 1.197 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689988169 KNXDYXQAAFGMKA-ADHGMGHFSA-N 449.577 1.060 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C1OCCO1 1690106104 KIQWUQBZCYOSLL-UHFFFAOYSA-N 439.516 1.580 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2nncn2C)CC1 1690137738 HTYIKJJYVRPFHI-FQEVSTJZSA-N 446.559 1.963 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@H](C)C1 1690503907 RSBXIEFXMUENMN-MRXNPFEDSA-N 427.505 1.976 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1690585165 FLKFYNMJWGNJEB-HNNXBMFYSA-N 433.534 1.886 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1690665430 DARFCROBZUGDIQ-UHFFFAOYSA-N 427.509 1.107 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1690669301 AFXQJLGBUGRYGY-OAHLLOKOSA-N 445.911 1.260 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1 1690670071 YEKBIJHPQGNAIL-CRAIPNDOSA-N 426.521 1.695 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCCC)C1 1690696913 LKAXRVZLNKJAAZ-HNNXBMFYSA-N 437.504 1.901 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)C1 1698483640 HIGUMERSNIMHBR-GOSISDBHSA-N 431.863 1.610 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1705491266 AJHIUJNKQXUSEK-HRAATJIYSA-N 427.578 1.778 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1705496082 ZIKSJGKBKDMRCF-XLIONFOSSA-N 438.557 1.931 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705567948 DGMALMDAHZZZKZ-QZTJIDSGSA-N 430.578 1.813 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccc(CS(C)(=O)=O)c1 1705584591 QPNRPPSLVYBEIJ-UHFFFAOYSA-N 433.537 1.930 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1705628443 GWBYPJGKDLYANL-CYBMUJFWSA-N 440.476 1.042 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705661528 DHCOFHNCBACHAY-RDJZCZTQSA-N 448.618 1.794 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1705667114 IKYDBRXJEAEWFA-OAQYLSRUSA-N 444.561 1.299 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1705907850 ZPKASNDHOAEPTC-QGZVFWFLSA-N 439.524 1.517 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](COCC)C1 1705927734 FBRQIWNXLJLYTK-QGZVFWFLSA-N 439.582 1.368 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1706074652 BVWWURDUXAGNIX-LUKYLMHMSA-N 443.531 1.171 30 10 IDEE CCOCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710820889 QOGZXEVXEXRJTN-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1722301183 KLCYFIRTEMHQCL-GOSISDBHSA-N 430.574 1.851 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722308736 PVBFAQQVDHBQKL-IRXDYDNUSA-N 439.582 1.466 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722317260 ROVYYPAGYJQQGO-KURKYZTESA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722364479 HKBAAPFVXKUGKF-MOPGFXCFSA-N 443.573 1.706 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1722429240 OWAOCCFFXCMHEL-OALUTQOASA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC(F)F)CC1 1722435994 UWDFSZXSEXKXMJ-UHFFFAOYSA-N 448.474 1.099 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1722510702 WTABMMZASIFGFW-SQNIBIBYSA-N 441.598 1.684 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722534749 QULCWKCCEXGEAW-QUCCMNQESA-N 429.569 1.818 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1722560915 GTXUZVWRSQRHCG-OAQYLSRUSA-N 431.562 1.572 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1722618877 WONVSACTQWERNW-DLBZAZTESA-N 426.587 1.108 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)CC 1722656678 ZODYZBAHPJQHPF-UHFFFAOYSA-N 435.532 1.943 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1723768836 HKXSFRVQMJSVNZ-INIZCTEOSA-N 426.525 1.775 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1724017629 CXUHHUIGRNOBIE-KKSFZXQISA-N 442.545 1.343 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1728800952 BMAWHAYQCYNRNF-RBUKOAKNSA-N 425.555 1.495 30 10 IDEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)CC1)S(C)(=O)=O 1729389063 BCYRKKDFYUCAHP-UHFFFAOYSA-N 444.561 1.592 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1740554382 YQIHISUDQIPZCI-XLIONFOSSA-N 427.574 1.696 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740619813 LLGSUWRBSZPWNG-IAGOWNOFSA-N 447.948 1.965 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1740622352 XSLZVHLUQWWUNF-SFHVURJKSA-N 448.593 1.637 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740627015 OBWXIVCDFLOOBG-OTWHNJEPSA-N 444.557 1.876 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(N(C)C)CCSC2)CC1 1740701006 QRBSMPPRGIKHIX-CNNODRBYSA-N 448.637 1.195 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1740709082 AEUUQNDPTARWGH-HNNXBMFYSA-N 436.582 1.886 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1740828647 SAMNAGGXJOMPKY-FQEVSTJZSA-N 429.613 1.831 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740962521 GPMQGBQZOZETAR-CALCHBBNSA-N 432.594 1.778 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O 1740968957 IBISIGABAKLXGS-RDJZCZTQSA-N 447.561 1.493 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1741112818 BGPWYJMBWREGDU-OAQYLSRUSA-N 437.548 1.644 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1746378929 BDFXHDLHJLUKSO-MEFWESNSSA-N 443.552 1.227 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1748810124 SEVZYPXEKNFUBS-OAHLLOKOSA-N 431.493 1.013 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCOCC1 1748874653 BGRKOIJGHZHIHN-FQEVSTJZSA-N 426.565 1.334 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCNS(C)(=O)=O 1748945376 RRDSYXKMTNIRLC-QGZVFWFLSA-N 435.525 1.500 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(C)(=O)=O 1748950769 OFNCTQTZFWTSKS-UHFFFAOYSA-N 428.518 1.466 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1748999382 SPPDXIRBDHWZIJ-QFIPXVFZSA-N 433.560 1.824 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749104261 OHNDGQPFOZDGSF-GRYCIOLGSA-N 447.311 1.203 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1749229610 MMCZWIFCERZPOB-IBGZPJMESA-N 449.577 1.840 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)C(=O)OC(C)(C)C)CC1 1749285990 BMPRBTLSZUYWNP-OAHLLOKOSA-N 442.586 1.912 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC1(C)C 1749666356 KZFYVDYIWJMYDN-UHFFFAOYSA-N 431.566 1.919 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750196120 XADUYYZXPAXYSU-DXQAYGFFSA-N 448.549 1.085 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C)CC1 1751220545 DZDWVCDDRRVZPM-OAHLLOKOSA-N 444.565 1.282 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1760136917 DACFOULFLHKDED-QZTJIDSGSA-N 439.582 1.277 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760146446 MYXVZEQSNLHFPY-QVKFZJNVSA-N 432.525 1.230 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1760218798 NMQXNMHVQMYEOC-FQEVSTJZSA-N 448.552 1.877 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1760247620 IMJBSXJSSOPMPH-QGZVFWFLSA-N 437.548 1.711 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(CC)CCC(F)(F)F)CC1 1760252822 XBCRZIIBBMSKLW-UHFFFAOYSA-N 443.518 1.446 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCO2)n1 1760253491 ZWLHUCQWCUKNBH-RBUKOAKNSA-N 441.536 1.281 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC)CC1 1760267632 UHEIYLKDUVBZGO-UHFFFAOYSA-N 445.527 1.595 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1760280771 MKEWXYWZBUCGPS-GOSISDBHSA-N 444.605 1.825 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1)C1CC1 1760476646 BBEGDJLUBCEYPY-RYRKJORJSA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1760514540 IULAMJIEFAKMAM-SFHVURJKSA-N 439.564 1.980 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CCC)C1 1760548335 DMOSTLADKZWZLQ-INIZCTEOSA-N 425.555 1.120 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760567598 HDAQKVPNCOYCMN-IBGZPJMESA-N 447.653 1.536 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760806579 SAUQCLNMSICZBF-DLBZAZTESA-N 436.582 1.519 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1761260542 AJONGJCIPKWTDO-UHFFFAOYSA-N 445.531 1.382 30 10 IDEE CC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1763386458 BNKTYZPSLQGYQC-HSZRJFAPSA-N 449.563 1.894 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1766928212 IDBZQMFEOHQBJE-IBGZPJMESA-N 428.585 1.243 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768032122 FURCAYQPCZGIBK-YGCDDZCOSA-N 437.504 1.729 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1768150196 JXWPOIQGBBYQSR-HOTGVXAUSA-N 441.479 1.732 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1769140292 DRLMJNHOEQQIGC-HNNXBMFYSA-N 432.488 1.848 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)C[C@H]1O 1769448454 BGYVMVCJPXJCDK-RSPOEFSDSA-N 439.516 1.728 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCOCC1 1770221363 ZDZLOWOBIFQEFL-WDSOQIARSA-N 435.525 1.317 30 10 IDEE COCCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771038944 ZVZZRNBOHSHLSL-UHFFFAOYSA-N 426.569 1.963 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cc(C)nn1C 1771220613 YRQHBGXFKXJABV-APWZRJJASA-N 428.541 1.269 30 10 IDEE CSCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771467833 JDDSDPQTYIEOHB-DOTOQJQBSA-N 438.623 1.500 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CC[C@H]2COCCO2)cc1 1771534831 PYXZJEGYOGQMTH-FQEVSTJZSA-N 427.505 1.743 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNS(=O)(=O)CC)CC1 1772554889 RPBNKMSHECFZSQ-FQEVSTJZSA-N 441.598 1.660 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 1772659992 DJPVPEGSAONDOW-UHFFFAOYSA-N 446.957 1.907 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772793971 WBXCSOTYPDOSQL-HNNXBMFYSA-N 431.445 1.504 30 10 IDEE C=CC[C@@H]1C(=O)N=C(NC(=O)c2cc(F)c(C)c(I)c2)NC1=O 1852080218 DGAGHPVJSSSHST-UHFFFAOYSA-N 429.189 1.673 30 10 IDEE O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852497591 RQFGMIDFNRGGCU-LLVKDONJSA-N 425.429 1.275 30 10 IDEE CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1snc(N2CCOCC2)c1C#N 1853048673 VQNDHQDOYRBVJS-MRXNPFEDSA-N 425.514 1.863 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1854466623 NDBXJNJXIHEEOC-RBUKOAKNSA-N 435.521 1.780 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1 1856398136 UNCCLGUGALLKRO-QAPCUYQASA-N 436.509 1.342 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C[C@H](O)CNS(=O)(=O)c2ccccc2C#N)cc1C 1858029169 LTXJZNNSTHQADE-QGZVFWFLSA-N 437.543 1.135 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CCCO3)cn2)CC1 1858453044 PDYZRDSOKGVSGN-SFHVURJKSA-N 441.513 1.582 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCOCC1 1870397356 BFRKVERKQYFSRS-UHFFFAOYSA-N 428.445 1.792 30 10 IDEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870497392 HDUFMSRBFFEYST-UHFFFAOYSA-N 430.549 1.480 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060627317 HVOSJSXEHPCRMD-HLPPOEQASA-N 435.330 1.273 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107454947 BJRUGUVIQRMNKC-UWVGGRQHSA-N 432.149 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC2)C1 2255629744 AHGXKYAGMOOPON-AWEZNQCLSA-N 432.330 1.838 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1 2255673461 FQDJMGJUUCELFZ-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1NC(=O)OC(C)(C)C 2255703558 ULEJSKNSTDCOJH-HOTGVXAUSA-N 435.330 1.678 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2255766481 DIFSGBGBZAPHIV-ZDUSSCGKSA-N 438.305 1.740 30 10 IDEE COCC1(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255848486 BPYYSOLHHPTFRS-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C#CB1OC(C)(C)C(C)(C)O1 2255870339 FXQMNFGZCIEDQS-HNNXBMFYSA-N 436.314 1.632 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267266609 QRFNBUUESWWUAE-YEJXKQKISA-N 447.345 1.101 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492122 OEFYTUNIDXOLKG-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267501075 SCFPWPZXPLTLSK-IEBWSBKVSA-N 441.337 1.823 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1CO 2267554259 YBQXFBSYVBWVHS-GDBMZVCRSA-N 449.357 1.662 30 10 IDEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267605994 RPELRRFTJYVAFW-KBPBESRZSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2267880351 SIYDDUVPMSQARA-AWEZNQCLSA-N 443.313 1.361 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)n1C 2315522379 HPYHRFLRPJLIIL-UHFFFAOYSA-N 434.346 1.767 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2317604838 FRUPHUMQRXHNIM-CYBMUJFWSA-N 436.318 1.045 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2332885366 QKKJNUOIIABSMV-MGPQQGTHSA-N 426.267 1.600 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2332885860 UIRUESZPWXJEMB-HZSPNIEDSA-N 426.267 1.600 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2337198253 HLYCYTBWYHLAPU-AWEZNQCLSA-N 446.357 1.849 30 10 IDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C(=O)C1=O 35478943 RWWSVASNNZGVNQ-UHFFFAOYSA-N 431.558 1.575 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1 59887872 AKOCFJHOCDVSPX-AWQFTUOYSA-N 432.485 1.926 30 10 IDEE CCOc1ccc(NC(=O)C2=C(NC(=O)CCC(N)=O)C(=O)c3ccccc3C2=O)cc1 66323918 GVHTYYXWEMYIDD-UHFFFAOYSA-N 435.436 1.739 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 102756551 KVPVXWZOOIFLJI-VZCCSQPZSA-N 430.530 1.852 30 10 IDEE CCS(=O)(=O)N(c1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl)S(=O)(=O)CC 198040690 YBNYTKSYDFMWJE-UHFFFAOYSA-N 438.764 1.540 30 10 IDEE CCO[C@@H]1C[C@](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)(C(=O)OC)C1(C)C 444760683 KOLRCPTZBXYMNR-CDMIOBSGSA-N 448.589 1.793 30 10 IDEE N#C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(Br)cc1 463309169 LRQSMSHSFDEGFW-HNNXBMFYSA-N 436.287 1.703 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)n1cnc(C#N)n1 466935640 WHKCZNXSAITMRK-NSHDSACASA-N 443.316 1.551 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(F)c1 481029013 WIFHGVGRIGDLDA-UHFFFAOYSA-N 448.495 1.995 30 10 IDEE COc1cccc(N2C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2=O)c1 481279347 ULZLWUCWAZKKRC-GOEBONIOSA-N 442.497 1.155 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C#N 489815891 DHIFUJUHNBMEHY-SFHVURJKSA-N 446.504 1.397 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC=C)CC1 508487920 HPQLYKOPCFNERU-UHFFFAOYSA-N 432.532 1.945 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2C)CC1 508491084 FKWVHBULXAVPQL-IBGZPJMESA-N 446.577 1.432 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 508917483 JKXAJZNCPYBFJZ-HXUWFJFHSA-N 440.548 1.875 30 10 IDEE C=CCN(C(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 521740726 CXZHBFNAVNKGNE-QGZVFWFLSA-N 428.576 1.680 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)nc1 522921233 MPDQNQNUMLSORT-LJQANCHMSA-N 435.484 1.408 30 10 IDEE COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 536725151 FNOYSVNVDJJDLN-LJQANCHMSA-N 428.514 1.962 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCOC3)c2=O)c1 537396076 VLVIRGMIMAFHJG-HNNXBMFYSA-N 427.526 1.387 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544639099 DMMLITVJMLSCHA-UHFFFAOYSA-N 444.513 1.192 30 10 IDEE C=CCn1c(Cc2noc(C[C@H](NC(C)=O)c3ccccc3)n2)nnc1N1CCOCC1 546356750 WYIKJJIQBHMHQY-SFHVURJKSA-N 437.504 1.694 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)n1 549497805 TVZCNCCHHXEOAD-ZWKOTPCHSA-N 425.493 1.138 30 10 IDEE COc1ccc(Cn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)cc1 551924013 APOQNVSOVASHSX-UHFFFAOYSA-N 448.548 1.881 30 10 IDEE COc1ccc(Cl)cc1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 564311967 SBKSOUDGNSQCHL-GOSISDBHSA-N 440.887 1.754 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 590914001 JTYCMIHUXADADQ-SFHVURJKSA-N 441.528 1.790 30 10 IDEE N#C[C@@]1(F)CCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)C1 615661754 MKNDWQVCNFKROG-HNNXBMFYSA-N 432.271 1.267 30 10 IDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 619077092 ABRAVSJHMQRWGR-IBGZPJMESA-N 447.499 1.709 30 10 IDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 685544285 LGEUQTZUFJFUNP-UHFFFAOYSA-N 428.518 1.959 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCCN(C(=O)OC)C2)C1=O 726393707 QQSPDYMIAOOFAC-GOEBONIOSA-N 429.502 1.857 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)[C@H]1CCS(=O)(=O)C1 729335994 YWYJLIBVBJPYAO-ROUUACIJSA-N 438.571 1.045 30 10 IDEE COc1ccc(C#N)cc1NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729565005 KJSAVBANUWZSSV-UHFFFAOYSA-N 445.281 1.613 30 10 IDEE COC(=O)[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)c1ccc(C#N)cc1 740235931 FSKZUYKZBZHWDI-GUDVDZBRSA-N 426.400 1.730 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ncn(Cc2cccc(Br)c2)n1 742247861 DDJIDIBUMQNIRM-MSUUIHNZSA-N 445.277 1.944 30 10 IDEE Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 750413146 AALIUJOEFBNNIZ-ZDLGFXPLSA-N 426.433 1.637 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 751923502 NMESNMWYWAZVPU-NVXWUHKLSA-N 433.578 1.519 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 753369316 DUWBMAXLQLBOLS-QFIPXVFZSA-N 437.585 1.653 30 10 IDEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768420041 CEIKHRSRDSMYPU-KRWDZBQOSA-N 443.577 1.632 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770649101 AFPGNSNLIVSRJJ-UHFFFAOYSA-N 443.481 1.345 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CCc2nnnn2C)C1=O 771545538 WRYNSBGLKBYVTN-HNNXBMFYSA-N 431.522 1.308 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787890793 MULWEUVJOZWHTF-UHFFFAOYSA-N 448.545 1.490 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 788038527 IAQXALPLXGBTEQ-UHFFFAOYSA-N 435.531 1.424 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)n1 788814843 IECUXDQMNKLQSI-WOJBJXKFSA-N 444.532 1.473 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)n1 789044597 JYRUSRQXKCPFCR-FSSWDIPSSA-N 435.528 1.831 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(S(C)(=O)=O)c2)cc1 791591707 FJHNUKUHLJFLSV-UHFFFAOYSA-N 437.495 1.594 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1cncn1C 796624747 AZOWJHYKSHCGGI-VQIMIIECSA-N 429.502 1.487 30 10 IDEE Cc1cc(I)ccc1NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798744821 VRDHCYFQECXFJD-JTQLQIEISA-N 439.213 1.806 30 10 IDEE CC(C)CN(C(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 803923401 YIXCVIOMWVTADS-GOSISDBHSA-N 436.505 1.944 30 10 IDEE Cc1csc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)n1 1084143364 LZVJEDSCFFITTK-UHFFFAOYSA-N 435.539 1.552 30 10 IDEE CCCC(C)=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1 1084291131 PXVLSDBHEBIRSZ-UHFFFAOYSA-N 429.557 1.552 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 1143572901 BAKUBXYJMDCMNU-KXBFYZLASA-N 435.546 1.299 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1165490671 ZMEORJPRRZWURH-FQEVSTJZSA-N 429.498 1.621 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286382127 RLWOYMTUQCYZRJ-HNNXBMFYSA-N 437.953 1.861 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1286387644 HMMFMNITKBQWJF-KRWDZBQOSA-N 438.538 1.948 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1286393702 MGTIMCRBFWFHGE-UXHICEINSA-N 444.557 1.603 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CC2)CC1 1286490517 MTNGORXNDWYSRS-KRWDZBQOSA-N 428.537 1.012 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1286788302 UJGMVYKWQJEMTM-QAPCUYQASA-N 433.459 1.940 30 10 IDEE N#C[C@@]12CN(C(=O)/C=C/c3ccc(I)o3)C[C@H]1CS(=O)(=O)C2 1289202965 CLCXWCMIWIAVSP-KYXSCNQFSA-N 432.239 1.294 30 10 IDEE Cc1noc(C)c1COc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1289436173 FLDXBFZAAUQUPC-LAUBAEHRSA-N 429.498 1.810 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)CCOC1 1296662650 FSWPWUDRNXEILS-RXVVDRJESA-N 435.525 1.245 30 10 IDEE COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1300280232 MHDITZNXSAPJNH-MRXNPFEDSA-N 430.530 1.828 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1300479100 IHDMRVZTXBBGEN-QGZVFWFLSA-N 430.578 1.712 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1300537938 LZBMWUFBLDIINP-QGZVFWFLSA-N 428.514 1.341 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300575179 SPASHSXCALRKNZ-GOSISDBHSA-N 447.465 1.851 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1300666003 RNTKGMOURXAUNU-INIZCTEOSA-N 442.911 1.254 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2sccc2C)CC1 1300683568 QKIBZAXYWBNVMT-INIZCTEOSA-N 436.607 1.256 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(F)ccc2OC)CC1 1300685155 IDWZJCALIRQFKE-QHCPKHFHSA-N 443.523 1.881 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N(CC)CC)CC1 1300725714 CEKZMUMNGGVBOG-LJQANCHMSA-N 437.592 1.960 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1300875480 PHLKMHSIEDCUOL-QUCCMNQESA-N 446.596 1.699 30 10 IDEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301048060 VTOUNQJAUSFQAV-UHFFFAOYSA-N 433.929 1.018 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(F)cn1 1302091650 FWTHTHKTTZMHTL-BEFAXECRSA-N 429.500 1.761 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCO[C@@H]1C 1305530642 CBYRBJBJLBTWIK-FSTVOOFJSA-N 440.552 1.708 30 10 IDEE CN(C)CCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1ccccn1 1307795662 GXGYXFCAOHGCMA-HSZRJFAPSA-N 438.551 1.993 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1314495612 JAXLQTVVIZROHW-HXUWFJFHSA-N 426.521 1.391 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1(C)C 1315713305 BITIQFDIXQBNAC-SFHVURJKSA-N 444.561 1.713 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1315800336 XFOCXGAQZFGMLF-RBUKOAKNSA-N 441.536 1.427 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 1355709757 BONTVJFTCIJMOJ-SFHVURJKSA-N 435.569 1.730 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1358871645 IMJSERRDCLRUBQ-JKSUJKDBSA-N 444.561 1.521 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1358885768 QDVBOHYOJDLPRZ-AZQSGLJVSA-N 436.516 1.580 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2ccn(C)n2)c1 1358902622 UKYMHVUIKFCXSH-LJQANCHMSA-N 446.515 1.262 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1358956069 ZLPIRONVPJTZKY-MRXNPFEDSA-N 439.607 1.284 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358963217 DNTNJDQYWKQTQY-SFHVURJKSA-N 449.621 1.752 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1358968129 ZVUHJLINUWXSBZ-QGZVFWFLSA-N 433.534 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358977065 BOCGZCDSONPDAY-QFIPXVFZSA-N 446.555 1.941 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1358994437 NGJKSDVSZMBETI-UYAOXDASSA-N 429.590 1.660 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)c(F)c2F)CC1 1359028388 QNACEAVQBSPIHC-UHFFFAOYSA-N 446.477 1.929 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2)CC1 1359029321 UUSOLGBEVZLWJV-SFHVURJKSA-N 430.578 1.195 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCC(=O)NC 1359089094 BHVRYXHMTWEDJH-QAPCUYQASA-N 427.509 1.479 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359183508 MSLHAOKFQHPINB-MELADBBJSA-N 427.527 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359297900 GKGIEQPDQXXVAA-UHFFFAOYSA-N 440.552 1.210 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC)[C@H](C)C1 1359300502 DBWVDVOLXUYJEI-VQIMIIECSA-N 426.521 1.623 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(Cl)cccc2C1 1359301454 YWJAEFTWFCWDJZ-OAHLLOKOSA-N 449.964 1.699 30 10 IDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1359457255 BKRIDIPLYZVUED-NRFANRHFSA-N 438.467 1.160 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1435459769 KQGMCYSNZYLPIW-KFGODFMUSA-N 444.532 1.887 30 10 IDEE C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NCCc1ccccc1 1436612438 LVDCDMWMYOAMKZ-OXQOHEQNSA-N 447.495 1.627 30 10 IDEE CCn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnc1-c1cccc(C)c1 1439793066 BCOCYUTZYKJWRF-OXJNMPFZSA-N 445.570 1.762 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1451195418 NLHRRHGWBCYYNX-IAGOWNOFSA-N 442.541 1.405 30 10 IDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1456988307 ZQABTXUATCKZCN-RAJOGRCSSA-N 436.509 1.387 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccccc2Oc2ccc(C)cc2)CC1 1471451843 ZOBHMJZASOKQQD-UHFFFAOYSA-N 427.526 1.942 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191785 LZOQVWKCRBLHCK-AQOAWAETSA-N 445.541 1.918 30 10 IDEE COC(=O)[C@@H](NCCCNC(=O)COc1ccc(C#N)c(Br)c1)C(C)C 1472565357 SCPTYUXGECJAAW-KRWDZBQOSA-N 426.311 1.993 30 10 IDEE Cn1cc([C@@H]2CN(C[C@H](O)CC3(C#N)CCOCC3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1473574713 XNOAXLUEKNSUJV-CEXWTWQISA-N 433.553 1.784 30 10 IDEE COc1ccccc1[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCCCC1 1477522362 HZJSQQDFNBBJDS-SFHVURJKSA-N 440.504 1.356 30 10 IDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1503621701 QVSHKFYDWWEADP-UHFFFAOYSA-N 438.532 1.844 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507590864 HIKIAXRXDSJCMX-GOSISDBHSA-N 448.531 1.823 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507633157 BYGOBZMGLLWBIU-NRFANRHFSA-N 441.601 1.967 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1507641409 DVPXUFVSNMDVRP-SFHVURJKSA-N 427.427 1.070 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1507691002 ZJGOKFYHABIMHJ-LJQANCHMSA-N 431.562 1.681 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCc3nccn3C2)CC1 1507741473 UKWMWXYVPWCDIK-KRWDZBQOSA-N 425.537 1.240 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1507795439 IDOSQKCHHDWPQB-CXAGYDPISA-N 449.353 1.964 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)nc1 1508041152 HEVGCZAFQSWWSM-UHFFFAOYSA-N 439.476 1.187 30 10 IDEE C=CCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1508066614 UVFRTQPIDBRJGK-JTSKRJEESA-N 443.552 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](SC)C1 1508131799 QEZBJINXOOLSBO-HNNXBMFYSA-N 429.612 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1508138150 XISIMJOPVSBVHH-UHFFFAOYSA-N 430.527 1.166 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1508410320 DYHCPUKVYFMOAP-UZLBHIALSA-N 439.582 1.882 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCC[C@H]1C 1510188323 CDHRBWNROLLJHZ-JTDSTZFVSA-N 441.577 1.595 30 10 IDEE COc1cc([C@H](C#N)NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)cc(OC)c1OC 1521186456 YLEIZTINLRLRMI-BBRMVZONSA-N 427.461 1.570 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)[C@H]1c1ccnn1C 1537843915 DJOHZVNFJRLRIA-QMIHWGKISA-N 427.461 1.107 30 10 IDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539063784 VCDYLKHUDKXTFL-UHFFFAOYSA-N 437.548 1.358 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539147851 DEOMDWKWHNUTFW-KGLIPLIRSA-N 428.559 1.119 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539903323 WQOOQODGLGGSCU-OAGGEKHMSA-N 438.598 1.453 30 10 IDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1540037688 PCHAABCYVLFKAI-UHFFFAOYSA-N 425.541 1.834 30 10 IDEE CS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1540832743 WLQXFFFQDOXJRN-AWEZNQCLSA-N 448.524 1.186 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1540873050 KXKJOTSJTJURJU-QHCPKHFHSA-N 436.491 1.803 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOCC2(CC2)C1 1540875082 AUZXYXMSSNHTHJ-UHFFFAOYSA-N 427.505 1.785 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1540909089 XDSMCDHGEWMGPM-GVDBMIGSSA-N 437.566 1.526 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540917424 WEOVJZYYPPRUBY-SJORKVTESA-N 443.639 1.809 30 10 IDEE CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1543125218 ZTGWRYMNVPKQHH-JVMCPMGWSA-N 446.554 1.736 30 10 IDEE CCN(CC1CCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1547543332 NIHLUEFRWLIFFG-SFHVURJKSA-N 448.549 1.750 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552422325 KCZINBALYNDUHF-OFJJUDJNSA-N 433.969 1.939 30 10 IDEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)n1 1554364717 DXDVJFNLBCFYOH-GOSISDBHSA-N 440.533 1.201 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554690730 ODYPXJUPBKSQIZ-FMZSFSCUSA-N 444.536 1.704 30 10 IDEE CCOC(=O)Cc1cnc(N(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 1557004944 AISUTDRGQZGBGB-GFCCVEGCSA-N 436.515 1.450 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cn(C3CC3)c(=O)nc2O)cc1 1562197337 JCMHZIVEMUFRLM-UHFFFAOYSA-N 433.490 1.412 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)n1 1564724054 NUENZCCSJASRJH-UHFFFAOYSA-N 442.955 1.799 30 10 IDEE C#CCN1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1565814603 AJUQLPNURWEGSV-OAQYLSRUSA-N 449.573 1.318 30 10 IDEE C#Cc1ccccc1CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1586835211 GMOONHZDWAYWKI-UHFFFAOYSA-N 441.553 1.487 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1588046030 VYOPXDPORNOGNY-HNNXBMFYSA-N 449.964 1.704 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588050135 PDLKGXUTNKGMCK-IAGOWNOFSA-N 448.618 1.837 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)CC1 1588199166 IFMHYGCSZLTKNH-UHFFFAOYSA-N 445.520 1.034 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1588806306 MJXAPRSUWAHGON-UHFFFAOYSA-N 449.515 1.564 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1588845092 UADLTWWWNWKSOW-RTBURBONSA-N 438.590 1.961 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NCC)CC1 1589305296 QBMWYXCFNSPWGK-CQSZACIVSA-N 445.362 1.762 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1594627876 XOZRTDNNSQMCQI-IRXDYDNUSA-N 441.598 1.971 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1594962369 KJPAGFPYQIKVOC-GFCCVEGCSA-N 425.477 1.822 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 1596315365 RTKMWONZBAVOLG-PMACEKPBSA-N 444.576 1.698 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1 1598458160 XPOKLBSQTGPAMC-UHFFFAOYSA-N 425.551 1.496 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1616235537 ZOSXHMOMEWXRRM-IIBYNOLFSA-N 428.493 1.548 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1619520942 RLIMDAMQTKQWDB-DUPUNLONSA-N 437.504 1.728 30 10 IDEE CS(=O)(=O)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1620162350 BIEFUDJFNDCFAZ-CYBMUJFWSA-N 425.461 1.311 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2ccc(C(=O)OCC)cc2Br)cn1 1622335138 SOKDEUJMSPHJJA-UHFFFAOYSA-N 426.292 1.934 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCN/C(O)=C4/N=CC=CC4=O)CC3)n[nH]2)cc1 1628705901 AEUFPYPDJTVXDK-FCQUAONHSA-N 445.483 1.513 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(c3ccsc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1632830869 UCMMIHSOYYRAMA-HNNXBMFYSA-N 433.534 1.346 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1633640966 LNNHYEKSDRQEBZ-FQEVSTJZSA-N 436.509 1.201 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2CCC(S(C)(=O)=O)CC2)[C@H](C#N)C1 1634108970 UAWLLGDCWPVMGP-GYTBAZASSA-N 428.555 1.648 30 10 IDEE C#CCCN1CCC(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1634350444 CACBAOPXFIDBIJ-MWQQHZPXSA-N 425.451 1.576 30 10 IDEE CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1=O 1637505211 FYBWILHUWXGKAD-CABCVRRESA-N 435.484 1.770 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1637937335 GDJKRXGEXFEECL-JLTOFOAXSA-N 430.486 1.215 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2Cc3cccc(C#N)c3C2)c1 1640540294 CPWCWAFAHUYLHF-UHFFFAOYSA-N 440.525 1.861 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1S(=O)(=O)NCC#N 1640884667 DAFHSTWUFJUYBE-AWEZNQCLSA-N 428.461 1.173 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)c1 1642348813 RWFAXXBCFVFOBO-OAQYLSRUSA-N 442.585 1.697 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1642903185 CNICEOZCMRTGTA-LJQANCHMSA-N 431.512 1.897 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1651015691 QKYUNIOTYICTEP-NRFANRHFSA-N 447.488 1.840 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1 1673643945 QISGCSNYDIPLDT-UHFFFAOYSA-N 437.500 1.499 30 10 IDEE N#CC1(CNC(=O)N2CCC(n3nncc3I)CC2)CCOCC1 1676736771 FAUYYQYSIBMHSO-UHFFFAOYSA-N 444.277 1.550 30 10 IDEE N#C[C@@]12CN(C(=O)NC[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)C[C@H]1CS(=O)(=O)C2 1681560178 KKUUSSMZZPGTLS-OFCAXSSNSA-N 435.521 1.479 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1689908046 VAWFABOBRMDHTM-IBGZPJMESA-N 441.580 1.060 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCN(CC)CC1 1690015805 XXVQSEXGZSVEMO-SFHVURJKSA-N 437.548 1.105 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1690077065 HYUZQHCSAHBEDA-ABSDTBQOSA-N 439.582 1.418 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC2(O)CCOCC2)CC1 1690141805 CIGQEOAZYRTCNQ-UHFFFAOYSA-N 440.548 1.181 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)OC)CC1 1690144188 OXBYPRXQBBZRAA-CQSZACIVSA-N 428.493 1.007 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)O)CC1 1690152376 IWKVOLYVSHDCNS-UHFFFAOYSA-N 425.533 1.902 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(N)=O)CC1 1690156450 XCCNQGOLHMFHSL-UHFFFAOYSA-N 427.534 1.384 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690326659 BGCIAUXWJCVYAH-UHFFFAOYSA-N 437.976 1.350 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1690432715 JUTNTZLJGLPZED-MRXNPFEDSA-N 439.582 1.078 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cncn1)C1CC1 1690539664 HWINHAVDAJSJMR-UHFFFAOYSA-N 442.549 1.642 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1690655270 MSQOURHWDROAKL-JOCHJYFZSA-N 442.495 1.053 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690669291 ADRALUJKFMECCW-CQSZACIVSA-N 428.459 1.743 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1690677134 OLROXXMYBJCXCF-HNNXBMFYSA-N 444.561 1.548 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(COC)CCOCC2)CCOC1 1696052247 FQDVDZCFXPNCMI-LEWJYISDSA-N 437.516 1.815 30 10 IDEE CCOC1CC(Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1696182653 CNIUTCHWKKTQLO-NHFHJCFSSA-N 432.569 1.995 30 10 IDEE COCc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1697820658 UKBNYHSRWTXIKH-ZCNNSNEGSA-N 427.505 1.926 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1697929131 HUZLPXKQHNJMLS-NFBKMPQASA-N 449.515 1.972 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1698461518 MVSVERZPJZKIFP-ZJYNUGOYSA-N 437.504 1.870 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(N)=O)c2)C1 1698486074 GYSOMNPABZCZOT-JOCHJYFZSA-N 435.463 1.618 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705531639 QTOGZUXOMBADMH-HNNXBMFYSA-N 440.529 1.229 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CC1 1705575674 SMMZPAQDXPSJPX-UHFFFAOYSA-N 436.335 1.686 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1705651755 HADBBXYWLCVKJG-UHFFFAOYSA-N 439.545 1.398 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 1705741286 LDYBEVDTLNJAFU-MRXNPFEDSA-N 448.593 1.953 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705813818 VCIZOSSZHOGVNS-GOSISDBHSA-N 442.549 1.900 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(=O)OC)CC2)C1 1705916200 ZVMLHQMIDKXPEX-GOSISDBHSA-N 446.552 1.774 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1706032818 BIXGHVZWQVXHJL-UHFFFAOYSA-N 435.492 1.010 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)c1ccccc1 1706889496 GAWAAHJRGQPRRL-HIFRSBDPSA-N 440.476 1.409 30 10 IDEE CCc1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709080082 LKTJGUDDUPHHEA-QZQOTICOSA-N 438.536 1.967 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1722398364 WTMPBPJBKYYELC-QFIPXVFZSA-N 440.573 1.906 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1722455267 RZIVADIYCQQNIA-OAHLLOKOSA-N 429.546 1.996 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](COc2ccccc2)C1 1722692464 NBXZWGMMOCUBGS-KRWDZBQOSA-N 426.521 1.624 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1726639670 SFCSCPXFFQHCFL-AYAKEVCGSA-N 435.488 1.138 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1 1728937428 DVHXZGQRDVGKRV-UHFFFAOYSA-N 440.548 1.515 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)C1 1729637159 FAXMVEQCJQFQGS-SELNLUPBSA-N 438.532 1.831 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1740554093 WBMDMYJXKCINSP-VQIMIIECSA-N 449.552 1.841 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1740664175 HILICQPZNIDBHV-UHFFFAOYSA-N 429.546 1.867 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CC2)n1 1740687393 CGKHIEUSVVOXPL-UHFFFAOYSA-N 448.593 1.636 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740885439 GZSVQOMCQJYVPD-QGZVFWFLSA-N 434.541 1.737 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740961692 HQNBHMZMSUNOIJ-OAQYLSRUSA-N 445.593 1.237 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)C1 1740972471 JAKZPVAFPLZTTK-SOLBZPMBSA-N 438.598 1.154 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1741994666 RWEGNLSYBSLRBW-GUYCJALGSA-N 430.459 1.791 30 10 IDEE CO[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1748393743 HFPRIBAKAJSXGX-CTNGQTDRSA-N 439.564 1.406 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748671058 GDKFBZVLRPSFIT-GOEBONIOSA-N 437.566 1.505 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748817554 MGNZGCHWERVPHP-SJLPKXTDSA-N 448.520 1.605 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1749189182 BNWWDMDQTFSBQM-HOTGVXAUSA-N 444.540 1.608 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1749292038 NTOSGFBJOIECDB-HSZRJFAPSA-N 441.532 1.999 30 10 IDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1749460667 VYYKATKELZGGBP-UHFFFAOYSA-N 437.504 1.768 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749676302 LPLZSNAEMDCUTI-KRWDZBQOSA-N 426.521 1.340 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749677014 KVWMMZDOZXXUSJ-UXHICEINSA-N 430.597 1.860 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749679869 CMDYKPGJSKSEEH-DOTOQJQBSA-N 442.495 1.355 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1760255392 ZMACTHYPYATKPS-FPOVZHCZSA-N 425.533 1.760 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760282052 VGOIRMZQFLYCLK-INIZCTEOSA-N 441.623 1.399 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760283727 ZAGXHDYIBXVWTF-GDBMZVCRSA-N 435.575 1.360 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOC 1760294780 GNMIAHOUHAQUDR-QFBILLFUSA-N 425.555 1.030 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760515243 TXXZMSMGUGDMGH-CVEARBPZSA-N 425.493 1.233 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(COC)CCOCC2)C1 1760549589 HTDCFZLIFRCPDH-GOSISDBHSA-N 433.553 1.625 30 10 IDEE CC#CCn1c(N2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)nc2c1c(O)nc(=O)n2C 1772508791 QRFIPZFNEGYARG-CQSZACIVSA-N 446.467 1.124 30 10 IDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C1 1852129422 KPFAZOGOEQAVCZ-CYBMUJFWSA-N 427.408 1.526 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)NCC#Cc3cccnc3)CC2=O)CC1 1853100065 NWQQKWVWMCHHHM-GOSISDBHSA-N 426.517 1.797 30 10 IDEE C[C@@H]1C(=O)N(C(=O)COCc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1855735533 NWADOVGUWQBYDX-MRXNPFEDSA-N 427.482 1.523 30 10 IDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)cc1 1856342902 IVVXAOFEIQIQPS-IBGZPJMESA-N 429.542 1.377 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1856476283 LCSYCAGLDPCKQE-JKSUJKDBSA-N 437.949 1.904 30 10 IDEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863234571 JOPFKHSEGGJKHO-UHFFFAOYSA-N 428.426 1.620 30 10 IDEE COc1cc(C(=O)N[C@H](CO)C(=O)N[C@H](C#N)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867807102 SAZSVDATJMZICF-HZPDHXFCSA-N 442.428 1.392 30 10 IDEE C=CCn1cc(OCC(=O)Oc2ccc(CC)cc2)c(=O)cc1CN(CCO)CCO 1870472614 DZFLGUUYXREDEZ-UHFFFAOYSA-N 430.501 1.368 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626105 NZUACKGOBINWSX-UHFFFAOYSA-N 435.536 1.258 30 10 IDEE Cc1nn(C)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 1881501664 RHXQHTMPMZCZAB-CHWSQXEVSA-N 427.347 1.936 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCO[C@H](C(=O)N4CCOCC4)C3)n[nH]2)c1C 1891621409 MTRJGTNKBJEIRR-IBGZPJMESA-N 442.520 1.166 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013635388 COKCTADJWCEPOL-JKSUJKDBSA-N 437.537 1.876 30 10 IDEE N#C[C@H]1CCCN(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2118169496 XLNYJTORSODNBN-CABCVRRESA-N 434.440 1.914 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248488925 VGYQXYPOCNXFGB-CQSZACIVSA-N 440.371 1.939 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(N)=O 2248578660 ONPIWHHCLXITGV-ZDUSSCGKSA-N 425.266 1.277 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)(C(N)=O)C1 2255622081 VIIBKHWHCAKAJV-OKILXGFUSA-N 437.346 1.697 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2255629266 SWJAMSPXIOWIGO-QZTJIDSGSA-N 427.310 1.813 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 2255648989 PJSFBHBFJMICKE-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255665153 BQXUXTJQHMTRFQ-UHFFFAOYSA-N 432.330 1.811 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C 2255692352 BDLOEKKOWTZXIV-CYBMUJFWSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255710607 NFHNWYLCTDDTGK-UHFFFAOYSA-N 435.330 1.273 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255838650 JESTYSIULRGLJL-QWRGUYRKSA-N 445.272 1.820 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)COC1 2256672530 JFKMEHCGRUGEKR-UHFFFAOYSA-N 432.326 1.896 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112820 MDKOZJOKOBAXQJ-KBPBESRZSA-N 449.361 1.490 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267198459 YFHXUFOTRZBRCX-UONOGXRCSA-N 449.361 1.490 30 10 IDEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267541363 CFNZHWHMJFKPJA-SJLPKXTDSA-N 439.369 1.755 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267602064 GIWSTUZSGGEPEN-NUEKZKHPSA-N 444.341 1.904 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)OC1(C)C 2282509080 GELRBMOREAMNEE-CQSZACIVSA-N 443.396 1.962 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)n1C 2315635311 IJEUUANZXBDSGA-CYBMUJFWSA-N 436.362 1.918 30 10 IDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccncc1 2329012384 DJBIUTPOFNUXOW-INIZCTEOSA-N 429.550 1.898 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OC)n2N)cn1 59913987 JIIDJRRDVFWTJB-AWQFTUOYSA-N 445.509 1.020 30 10 IDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)CCC(=O)OCC)C2=O)cc1 96573476 UJFYYJKTALHSGU-JOCHJYFZSA-N 431.489 1.820 30 10 IDEE COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccc(Br)c1 409589463 RELVLXBQSXQPJE-ZIAGYGMSSA-N 432.296 1.112 30 10 IDEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc21 430085807 BSRUXZKXMXTRAG-XMMPIXPASA-N 433.512 1.677 30 10 IDEE COC(=O)C[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 476759860 WZFLIEACAXGAJO-SZNDQCEHSA-N 447.488 1.959 30 10 IDEE CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nnc2ccccn12 481504611 FEIXCJRFYMCANB-KDOFPFPSSA-N 426.502 1.781 30 10 IDEE CNC(=O)C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 483425631 YCIKNOVVIZFKHR-MOPGFXCFSA-N 425.558 1.924 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)n(C)c1 488461690 PZQOZTJPQHGHNV-KRWDZBQOSA-N 447.542 1.301 30 10 IDEE Cc1ncc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C#N 489113273 GLQUICPOKZEKAX-UHFFFAOYSA-N 431.493 1.418 30 10 IDEE COc1cc(CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc(OC)c1OC 489550652 KRAFWXIZUMEZGH-UHFFFAOYSA-N 446.529 1.794 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2nccc(OC)n2)CC1 508843855 FVAWXDSGEHZBOL-UHFFFAOYSA-N 445.487 1.905 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)n1 516901953 YVKOGELLUXNLHL-AWEZNQCLSA-N 425.510 1.222 30 10 IDEE COC(=O)c1ccc(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)n1 523498998 QJBRWRQJOGMOMW-AWEZNQCLSA-N 439.472 1.400 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2cc(C)n(CCC#N)n2)CC1 537515415 KKEQYSQPEHCFPL-UHFFFAOYSA-N 431.522 1.367 30 10 IDEE CCc1c(C(=O)Nc2cc(C#N)ccc2OCCOC)cnc2c1c(=O)n(C)c(=O)n2C 544168940 SGWJWKSOJBAYAY-UHFFFAOYSA-N 437.456 1.344 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 584708703 XFUOHIHXVRZQOL-LJQANCHMSA-N 444.511 1.842 30 10 IDEE Cc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(-n2cnc(C)c2C)n1 585482708 VTZRRPCWCFDOCM-UHFFFAOYSA-N 437.529 1.970 30 10 IDEE Cc1nc(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)sc1C(=O)OCC(C)C 586300796 AQMVBHQQMGBZTH-MUUNZHRXSA-N 428.536 1.324 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 604199438 YGRQXIKJCAMHLJ-YVWKXTFCSA-N 442.560 1.894 30 10 IDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)cc2)c1 609439601 UFNWFQBFEKOVFN-UHFFFAOYSA-N 442.497 1.831 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 609724935 UAIQVVFHQKABOK-KRWDZBQOSA-N 442.541 1.578 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](O)(C(F)(F)F)C3)CC2)cc1 610163765 LDGCXMWLASAUNW-KRWDZBQOSA-N 431.436 1.485 30 10 IDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669813046 LXOVQYKOUMPECW-BJLQDIEVSA-N 434.585 1.567 30 10 IDEE C#CCN(C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)[C@@H]1CCS(=O)(=O)C1 729335035 YMEZGXOHWNNIIA-GOSISDBHSA-N 448.541 1.205 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 734292102 BVWZUWALATWUFO-KRWDZBQOSA-N 447.538 1.773 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)c1 757018368 PUMGCNHOYOTWJX-SKAIHHOBSA-N 428.489 1.563 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ncc(Br)cc1Br 759852897 LDQRRGBDKROVQI-WYMLVPIESA-N 444.083 1.863 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 767372243 BODKUZMGWFCOME-HOTGVXAUSA-N 430.571 1.007 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N(C)C)ccc1Br 770551290 ZWRLTUZJUZPDQB-CYBMUJFWSA-N 435.365 1.326 30 10 IDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1C#N 775192298 FBAMOJREAQXZGU-UHFFFAOYSA-N 440.435 1.948 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 784127052 GILVGDHQULFLLU-QGZVFWFLSA-N 436.965 1.989 30 10 IDEE C#CCn1ccc(CN(CCOC)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)n1 789761273 ZBQHRRJTSIVNSO-KRWDZBQOSA-N 439.969 1.683 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1 790108779 GDZHLNFSFFIYNP-HNNXBMFYSA-N 438.937 1.512 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)ccc1Cl 916178626 GSRLDISMSBCPHS-UHFFFAOYSA-N 441.918 1.722 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)NCc3ccco3)n2N)cc1 1084634645 SEWIKFANTNFORF-UHFFFAOYSA-N 443.489 1.616 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ncc(C(=O)OC)s3)C2)c1 1157697083 QVYICGZCYJTZHL-AWEZNQCLSA-N 433.511 1.471 30 10 IDEE COc1cc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc(OC)c1O 1168093359 FPXMBRIWDAXOHE-UHFFFAOYSA-N 447.513 1.882 30 10 IDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1228254526 HHLWOZVLLYWZFS-GOSISDBHSA-N 444.536 1.811 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1286349768 NTRGGUCFVWPHCP-PXNSSMCTSA-N 437.566 1.031 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286386593 DHVYAIGOTPOSCK-WMZOPIPTSA-N 428.562 1.450 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286483612 QYBJVXFDFBPVEF-LJQANCHMSA-N 434.610 1.190 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1286509549 SUYVMZJPTADEPU-AWEZNQCLSA-N 449.549 1.213 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1286672848 QVCPMMJLNLCKDK-IAGOWNOFSA-N 441.598 1.829 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286775552 NMEDINNCPLQLTK-UHFFFAOYSA-N 442.549 1.003 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286786393 DIJNGXRDRHNAEZ-MRXNPFEDSA-N 427.509 1.059 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC(N)=O 1286797309 VHZULYLHPDUGPV-MRXNPFEDSA-N 426.521 1.827 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)O2)[C@H]1C 1288969542 RQYGRYYWQSCKDY-BQXGFTNOSA-N 440.500 1.852 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)ccc21 1289349320 OBAACDJHDNYFGF-JOCHJYFZSA-N 432.480 1.797 30 10 IDEE CC[C@@H](C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291772250 MZMIOLBQHZEDMT-RDTXWAMCSA-N 438.536 1.494 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1296240646 JRSIEEUXZMGGDI-WMZOPIPTSA-N 429.569 1.511 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cccc(F)n2)CC1 1298254941 FZFIEIFJTWUVHS-UHFFFAOYSA-N 431.493 1.388 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1299151380 HNHRLZBKPCURRC-LJQANCHMSA-N 436.472 1.364 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300495986 MDYPEYFSQUROBN-WBVHZDCISA-N 435.575 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccn(C)n2)CC1 1300725634 BMUQRPZCKIWOKU-UHFFFAOYSA-N 435.507 1.756 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301502762 OWZHOOWQVMOJLH-CQSZACIVSA-N 445.474 1.005 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3nccn3C2)C1 1301537571 BZWWHMMOLMIMBJ-IXDOHACOSA-N 449.581 1.129 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(C)(=O)=O)C1 1301556019 FBMFJALEQQBLIS-CRAIPNDOSA-N 434.518 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301589162 OGZRFFDIMJZJJB-ROUUACIJSA-N 439.582 1.125 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 1307830614 AGKLQMAAHFRXJO-QAEAHILHSA-N 433.917 1.827 30 10 IDEE CCCOc1ccc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c(OC(F)F)c1 1312212445 GCUPIVVNARBMAT-UHFFFAOYSA-N 437.403 1.710 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)CCO1 1315011972 CUFQXBCRXKLUOJ-FUHWJXTLSA-N 426.546 1.911 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1358904471 FFEJXGIOAQDAPZ-INIZCTEOSA-N 445.593 1.716 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1358933237 MRBWTTCYDZHPSX-AOMKIAJQSA-N 428.537 1.917 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@@H](O)C1 1358941216 BKKUHEVCRRLIAC-FUHWJXTLSA-N 431.562 1.816 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1358958726 UVRNRGRNKWUNNT-KRWDZBQOSA-N 445.545 1.107 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)COCCO1 1358971988 PJAHEQMYJSPLGJ-QHCPKHFHSA-N 440.500 1.849 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1358994094 DYMRYNYMFSGNCA-HXUWFJFHSA-N 441.557 1.431 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCOCC1 1359014920 BUHWGAODLFVDOK-UHFFFAOYSA-N 442.495 1.054 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2cccs2)CC1 1359030863 JABBMHFUOKXSFG-FCHUYYIVSA-N 445.589 1.655 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)OC)CC1 1359046435 RKOJQQSFZCFAPS-QGZVFWFLSA-N 435.532 1.517 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1 1359090193 WNXNSTXDTYBXGH-MOPGFXCFSA-N 432.569 1.264 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1359357553 JCVLLVVNAFYOPZ-WMZHIEFXSA-N 438.532 1.927 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1360481373 PSUIANNELKXPCA-CVEARBPZSA-N 439.511 1.495 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1360482412 CRXLUNHIBKZJLQ-KFWWJZLASA-N 429.529 1.964 30 10 IDEE COC[C@]1(C(=O)OC)CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1437631080 HYOLDTFHIINPQG-NRFANRHFSA-N 449.529 1.140 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)CNS(=O)(=O)c3ccccc3N)CC2)c1 1452693146 PGZCGXCCALWWAM-UHFFFAOYSA-N 427.530 1.200 30 10 IDEE N#Cc1cc(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1Br 1456319724 FZJHBJSTRRMYFS-KRWDZBQOSA-N 435.322 1.973 30 10 IDEE C#CCOCCN(C)C(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1457392853 DPQYRCHQOCVSLD-NRFANRHFSA-N 426.510 1.442 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)NN2C(=O)c3ccc(Br)cc3C2=O)cc1 1469494020 RYGMXFKHYCPTJO-UHFFFAOYSA-N 427.214 1.378 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1474954027 HEZDOYIVWHERJI-JTQLQIEISA-N 426.214 1.762 30 10 IDEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCOCC1 1477625816 VEFYKPRPXGQCNN-AZUAARDMSA-N 435.546 1.372 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1494658815 FZBZSTGCUSYYMW-GAJHUEQPSA-N 439.564 2.000 30 10 IDEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1503816199 CDCLCEYNLUAUSX-FQEVSTJZSA-N 448.531 1.725 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1505143586 GYGDFWTULOHWJI-UHFFFAOYSA-N 442.545 1.356 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(C)COCCO2)c1 1507549657 KFASIVZIPKMPDJ-QHCPKHFHSA-N 449.515 1.540 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1507615719 ASIGCQJOOZDRBQ-HOTGVXAUSA-N 437.566 1.649 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1C 1507706830 OYYWUSNCDHJRRJ-UHFFFAOYSA-N 442.545 1.525 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCn2cncn2)CC1 1507722565 AENLRCGSCNSLIT-UHFFFAOYSA-N 436.520 1.399 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507760368 ZFQJHMIHUWCZAW-GOSISDBHSA-N 432.594 1.240 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507968380 SCUZNLAMFUVODH-TYPHKJRUSA-N 446.596 1.364 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1508090474 ILHFUGHSZYDSEJ-HOTGVXAUSA-N 429.525 1.975 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1508092543 QVRALKIJLRZOKE-UHFFFAOYSA-N 426.521 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1508135649 KJZJODAXDSPAHG-UHFFFAOYSA-N 448.549 1.016 30 10 IDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1510322106 GBUHKQIVHFQJLV-GOSISDBHSA-N 444.561 1.856 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCC[C@@H]1NC(=O)NC1=O 1517124145 GYTWQMPGZGKNES-IBGZPJMESA-N 444.499 1.760 30 10 IDEE COc1ccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1518154690 FDLAUVRGWBTEDG-VZCXRCSSSA-N 438.488 1.707 30 10 IDEE COCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1518802516 AWOHTTOMWJMEDB-ZWKOTPCHSA-N 431.518 1.104 30 10 IDEE COCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1519239693 PNXLMBGDCSITKX-INIZCTEOSA-N 428.493 1.274 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(C)(C)c2cccc(C#N)c2)c1 1538837920 LEJIQZUAEMSCLT-UHFFFAOYSA-N 430.530 1.802 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CCCO 1538992031 JIFLHZKHWUOWNG-YLJYHZDGSA-N 435.536 1.226 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1539153338 AKHQSZJPQRGDSW-OAQYLSRUSA-N 432.546 1.615 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225590 PHVGMGUNJKRXSS-UYAOXDASSA-N 449.621 1.358 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)S(=O)(=O)CC 1539319918 LFOUHTQXXZVIGK-UHFFFAOYSA-N 438.557 1.951 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1539557571 XGCXLVGMBBYVTF-HNAYVOBHSA-N 425.555 1.028 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1539669627 SEDAEUZQQCMCTF-AWEZNQCLSA-N 426.568 1.518 30 10 IDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1540006608 VAAJOWKRUQYALA-HOTGVXAUSA-N 434.541 1.864 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540875842 ZOLKWIROGWSDNA-IAGOWNOFSA-N 428.512 1.971 30 10 IDEE C=CCSCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1540922441 OEGYTFUAFIMYPC-WWMYMODYSA-N 435.594 1.812 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1552872119 UAQCEDKVKZVKLR-UHFFFAOYSA-N 446.577 1.667 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1555270090 ONIIHIGLMOWCMX-MRXNPFEDSA-N 436.513 1.319 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@H](C)O1 1555385311 FCJVZIOGFCNWNM-FWJAZRMLSA-N 427.505 1.597 30 10 IDEE N#Cc1cccc2c1CCN2C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1557102218 CDQSUCHSQRYVCL-UHFFFAOYSA-N 427.482 1.977 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1587638176 CJKINQOYAJPTBI-XIRDDKMYSA-N 447.536 1.121 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1587668002 QFGGNRISGCTHBI-MRXNPFEDSA-N 428.518 1.222 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1588030399 ULFLSTFDIIESIB-GOSISDBHSA-N 435.594 1.821 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588049832 LSPGUXYXTBKELD-KRWDZBQOSA-N 432.550 1.001 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588053930 IXIXIYHXNMNBEN-IXDOHACOSA-N 449.577 1.061 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1589068955 GIDFVFWXYOMQSX-INIZCTEOSA-N 425.580 1.134 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCSC1 1595838007 IMIAOXOBBCZMFO-JYJNAYRXSA-N 430.596 1.545 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H](CC#N)C(F)(F)F)c1 1598394269 IRGWOZVJDZFALR-HNNXBMFYSA-N 434.440 1.348 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(F)cc(I)c3N)C[C@H]1CS(=O)(=O)C2 1598567251 HMCFLDNGYOLEKM-RMLUDKJBSA-N 449.245 1.023 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613267418 IAVUVHGFNZNQEN-LTDXQCTPSA-N 430.509 1.707 30 10 IDEE O=C([C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@H]12)N1CCOCC1 1614389081 SOZXAFBBXYMNSJ-OLMNGRFOSA-N 445.463 1.367 30 10 IDEE CCOC(=O)c1cnn(-c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)c1C 1616335907 JWXDOUPIDZWYND-HRAATJIYSA-N 442.497 1.368 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N3CC(O)(CC#N)C3)c2C(F)F)CC1 1616732887 JYDUGFNURYESQZ-UHFFFAOYSA-N 440.451 1.888 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H](CO)CN1CCOCC1 1617388885 YGJDQSDQQUNJNR-AZUAARDMSA-N 444.532 1.202 30 10 IDEE COCCOc1ncccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1620041151 ABCTXKZOYOEBMW-IBGZPJMESA-N 435.488 1.461 30 10 IDEE COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1620079375 UCBPDCPPFSRULG-IBGZPJMESA-N 441.536 1.428 30 10 IDEE N#C[C@@]12CN(C(=O)Cc3cccc(I)c3)C[C@H]1CS(=O)(=O)C2 1626655942 NQOLXZFLDOFHSN-WFASDCNBSA-N 430.267 1.230 30 10 IDEE CN1CCC(C#N)(NC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1628126239 HGUHFIURXLMYEJ-JOCHJYFZSA-N 448.523 1.990 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1Cl 1629553636 FWHWYIZDZKEPKI-CQSZACIVSA-N 436.921 1.201 30 10 IDEE Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)cc1S(=O)(=O)NCC#N 1630178143 NSWFJSDCZVPJBT-LJQANCHMSA-N 431.518 1.116 30 10 IDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1ccc(OC(F)(F)F)cc1 1630436608 UUYQBCHDTMUMKN-AWEZNQCLSA-N 428.392 1.827 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccc(CN3CCNC3=O)cc2)[C@H](C#N)C1 1634107608 GCLNUAIORFFCGN-QZTJIDSGSA-N 442.520 1.770 30 10 IDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1noc(C(F)(F)F)n1 1638686964 QBQBNVKFFNZAFS-SECBINFHSA-N 431.396 1.785 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(Cl)cc(Br)c3O)C2)c(=O)nc1O 1638930371 QBJHAZAQAFTBRT-UHFFFAOYSA-N 425.626 1.639 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1639179977 ZVVSYLRHLIXTCK-PXARDIRTSA-N 431.514 1.922 30 10 IDEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1646250972 NULWIVDCQUJBDG-UHFFFAOYSA-N 426.498 1.875 30 10 IDEE COc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)sc(C)c1Br 1648029098 XQIPRBXDMULFRL-UHFFFAOYSA-N 425.264 1.659 30 10 IDEE C#CCN1CCN(C(=O)CN[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)OCC)CC1 1654453867 REQTZPDQMMYDEK-GOSISDBHSA-N 426.344 1.835 30 10 IDEE C#C[C@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C1CCOCC1 1663235636 PDZYNIJAMDACGB-LBPRGKRZSA-N 429.296 1.207 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NCC[C@]3(O)CCCOC3)c(C#N)c2N)cc1 1683715667 HVCKLKHIGRXWPQ-JOCHJYFZSA-N 426.521 1.798 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689924732 RNLZDJNGMGWKNN-NQIIRXRSSA-N 436.564 1.527 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1689937440 ZXAKUFCBXJMZRD-UHFFFAOYSA-N 435.575 1.696 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccco1 1689951245 PSVQTHWMPRNKCM-UHFFFAOYSA-N 427.486 1.441 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCOCC1 1690010207 ZUFCNHHOTDQQNS-UHFFFAOYSA-N 437.500 1.317 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1690043982 VHRNSBCFQVODDQ-SFTDATJTSA-N 440.592 1.829 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCC1 1690103832 HNDYYXZMQVQBFH-UHFFFAOYSA-N 425.537 1.453 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCc2noc(CC)n2)CC1 1690133535 KNWULRHOOOEVIS-UHFFFAOYSA-N 439.495 1.940 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1690723489 TVJAJBRZKRFJMY-RDJZCZTQSA-N 445.545 1.618 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1690747153 UVQKPZSKSAAYHW-HNNXBMFYSA-N 445.611 1.145 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1691004307 QORJZLHTXATKLI-GDBMZVCRSA-N 438.579 1.511 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1=O 1692424411 LEOGUEDWDWYTEI-HSZRJFAPSA-N 435.532 1.600 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1695163722 WJOCTLNFBXOZCW-NMQZXRHPSA-N 444.536 1.704 30 10 IDEE CCCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1695203770 HPVUTBCHHYXFJM-MRXNPFEDSA-N 431.566 1.730 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)C1 1696920623 YVUPUHIEPFHNQI-QFIPXVFZSA-N 435.488 1.962 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC=CCO2)c1 1705504383 UTQSAOPJZIWIBL-IBGZPJMESA-N 436.516 1.818 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)c1 1705540916 RMVBZYQDZXDEBY-UHFFFAOYSA-N 431.500 1.880 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1705595385 QJSHXERQLZPBNT-UHFFFAOYSA-N 443.511 1.453 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1705604734 SLDTXMIEQZNUHP-ZDUSSCGKSA-N 427.477 1.998 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(SC)CCOCC2)CC1 1705635250 UZWJCDWWSQIFBX-JOCHJYFZSA-N 449.621 1.598 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705703225 RZGRWYPVXMGPRB-LMMKCTJWSA-N 426.583 1.852 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705744438 CUFAJKVSMWBIHR-SFHVURJKSA-N 436.925 1.693 30 10 IDEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1CC(=O)N1CCOCC1)C1CC1 1705858776 VQPDNPRQVILYQG-UHFFFAOYSA-N 427.505 1.879 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1705883627 OYRFQDXBLCLZQB-OAQYLSRUSA-N 445.593 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccco1 1705900814 QNYUISGQOGJVBU-UHFFFAOYSA-N 433.472 1.724 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)OC[C@H]3C2)cc1 1705910286 XWWGLRDSGAVUGB-QGZVFWFLSA-N 440.504 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705932267 RAFFAFJTLDGLDL-UHFFFAOYSA-N 441.579 1.278 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705938331 VOPDDTNCUQUGAQ-UHFFFAOYSA-N 445.549 1.009 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOC[C@@H]2C)CCOC1 1706668971 GXPVVKMKIIGXKJ-PGRDOPGGSA-N 432.569 1.779 30 10 IDEE Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)s1 1707845879 VLGQSCMNLSNRHD-MRXNPFEDSA-N 443.581 1.386 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)c1 1711331957 VPPYFAFQFOCHCF-QVKFZJNVSA-N 430.484 1.852 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)C 1722406552 RBRZIPBAANVLCN-UHFFFAOYSA-N 446.577 1.570 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)NC)CC1 1722492961 VIZZRWGBNQCAPY-UHOSZYNNSA-N 435.569 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722493903 LFNAOJDFMCVYMS-YRPNKDGESA-N 446.596 1.554 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(C(C)=O)CC1 1722701812 FPMALOYCKDXYRD-UHFFFAOYSA-N 426.521 1.526 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703832 JDAPHUSMGHIOGE-RDTXWAMCSA-N 447.458 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](NC(=O)OCC)C2)nnc1C(C)(C)C 1722731582 OODPMLCBLNBLMP-OAHLLOKOSA-N 427.571 1.891 30 10 IDEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1724112847 ABXPRNGJXAOTOK-NRFANRHFSA-N 441.513 1.904 30 10 IDEE CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1727241025 UODWNQZSTBMYRI-GOSISDBHSA-N 438.536 1.532 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCCO 1729397061 PZPHBQSNXWFRAA-SFHVURJKSA-N 433.534 1.087 30 10 IDEE COCCOCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1730921703 DUTFXTZDQQSOBI-QFBILLFUSA-N 429.477 1.572 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1740552914 YLMSDPNYEIYQRZ-DLBZAZTESA-N 435.532 1.371 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1740623403 SRTHBWIEUOVOGB-KRWDZBQOSA-N 430.530 1.935 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCc2nc(C)no2)CC1 1740703769 DQGUVUPKMOMKCU-UHFFFAOYSA-N 434.504 1.630 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1740704747 SZQSCVUVZXQJAY-QFBILLFUSA-N 425.537 1.762 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1740989277 HLTMWCWOOYLHMP-UHFFFAOYSA-N 436.513 1.146 30 10 IDEE CC(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1741342226 YFHXUGYUVWSJHU-MYDZZUQKSA-N 427.509 1.175 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743758808 ZXRLGIATXMEJRO-DPHDRGAJSA-N 427.509 1.129 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1CC 1748664348 GEJVMIPWZKMVPT-HNNXBMFYSA-N 431.504 1.793 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1748678537 VLZUPDIRIRDJIQ-ZWKOTPCHSA-N 425.533 1.830 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1OC 1748791681 ZVOMJQZYNWYUEV-MRXNPFEDSA-N 448.545 1.518 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCN(C)C1 1749532232 VIDOAZOHUYAXMV-HSZRJFAPSA-N 430.516 1.866 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1749629933 KXUFZTGLVXJKKG-WMZOPIPTSA-N 435.594 1.841 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C[C@H]1CCOC1)C1CC1 1749721274 FKAUUAGULOBANC-MRXNPFEDSA-N 437.566 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749727242 QWEDGFFLBUDAAS-NRFANRHFSA-N 442.545 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(Cl)=C(Cl)C1 1749738589 RCBFVZWWZFCCBI-UHFFFAOYSA-N 448.376 1.901 30 10 IDEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749744498 LFFBTEDRMVGWME-GOSISDBHSA-N 436.626 1.692 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1751005606 FXIXQDVQPNCOHQ-QGZVFWFLSA-N 448.549 1.282 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760157072 CIWCNMHCMSNPCP-OAHLLOKOSA-N 441.517 1.952 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1cc(C)cn1 1760165403 RCYPEHOZHVSUNZ-UHFFFAOYSA-N 426.550 1.821 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760189871 QRBQSBRMTDXZSW-UZLBHIALSA-N 447.586 1.143 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](OC)[C@H](OC)C1 1760307711 SUIVQCMMHOVMCJ-OKILXGFUSA-N 440.298 1.764 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC)C1CC1 1760470230 YGGIFXNNZJWEPB-UHFFFAOYSA-N 432.550 1.486 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760523706 GGFDUJXGXMHSQB-LJQANCHMSA-N 427.553 1.896 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)C1 1760542116 DHGRWQILROJXHQ-KZNAEPCWSA-N 440.566 1.157 30 10 IDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCOC1(C)C 1763258348 COUDLAXVBMXJNZ-OAHLLOKOSA-N 432.550 1.760 30 10 IDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1768570544 NKUIFWHNQGUWPY-ZBBYCGENSA-N 439.545 1.732 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H](C)O1 1769490519 DXOOTPCPXRQTPN-FMERGGRFSA-N 427.505 1.597 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1771110991 ZUXNQQLLCACNOE-UHFFFAOYSA-N 446.313 1.646 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1771224026 ZVEITXZHEYFIRZ-WMZOPIPTSA-N 434.541 1.570 30 10 IDEE C#C[C@H]1COCCN1C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772511057 IRBNWQRMIOHYQF-GJZGRUSLSA-N 434.459 1.514 30 10 IDEE Cn1ncc(N2CCC[C@@H](C(=O)N3CCC(COc4cccc(C#N)n4)CC3)C2)cc1=O 1849307987 RJTCPOIFQDITCO-GOSISDBHSA-N 436.516 1.581 30 10 IDEE Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1 1849847382 FPZKKDURUAGQTL-UHFFFAOYSA-N 432.546 1.274 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1Cl 1854141386 KOPSLQZKBZIPOM-ZDUSSCGKSA-N 432.889 1.810 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2N(C(=O)CN(C)C)C1=O 1854823343 LTHGTDNEAFGMEH-HNNXBMFYSA-N 426.498 1.824 30 10 IDEE CN(CCO)C(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869927880 GMGNQYVEKMVELV-SFHVURJKSA-N 426.498 1.268 30 10 IDEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCOCC2)cc1=O 1870387571 JTYVPOWMKNRJRZ-UHFFFAOYSA-N 433.530 1.135 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2243389094 GJZQZIMLQPSSGE-NSHDSACASA-N 425.316 1.723 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243415960 GGAMBICIATUKBE-STQMWFEESA-N 444.384 1.991 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC)B1OC(C)(C)C(C)(C)O1 2247905461 UHCKRHNWEGHUII-CABCVRRESA-N 446.375 1.728 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248402434 WZIUBWBRVJKTIL-IUODEOHRSA-N 440.371 1.938 30 10 IDEE Cn1nc(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1B1OC(C)(C)C(C)(C)O1 2255622608 BQOORIYHVSCBNH-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2255633574 DGWXHKYGPMWOGB-CQSZACIVSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255692636 CHTYQYIEKLKDFO-QFIPXVFZSA-N 434.342 1.991 30 10 IDEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255707545 XNLWGUDGOJZDMS-UHFFFAOYSA-N 437.346 1.975 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255825185 VMTAPZNNDYDORZ-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2255828977 HZEFZAQRVNQIKZ-HIFRSBDPSA-N 432.330 1.790 30 10 IDEE C[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255843507 HXYFUBQEICBHBX-JQWIXIFHSA-N 447.288 1.971 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2255844312 UUDVRRITDXFINF-HIFRSBDPSA-N 432.330 1.904 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267003842 VMAAFDQKGDANRV-FVQBIDKESA-N 446.357 1.847 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267012911 BYXCVGNZRSXEEC-CABCVRRESA-N 446.357 1.801 30 10 IDEE Cc1cnc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267114350 HGQKTLYRXYMZIX-IBGZPJMESA-N 441.259 1.972 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1CNC(=O)OC(C)(C)C 2267126601 BXPJGWJOQTUDCZ-CABCVRRESA-N 448.373 1.952 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130258 MEWXSDCOECMTKN-IIAWOOMASA-N 446.357 1.705 30 10 IDEE Cc1c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267492686 CQMZPDWHWXXWPM-UHFFFAOYSA-N 449.361 1.225 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C=CS(=O)(=O)C3)cc2Cl)OC1(C)C 2282305776 CYOSZCJNYOVPKE-VIFPVBQESA-N 439.773 1.290 30 10 IDEE CC1(C)OB(/C=C/CNC(=O)c2nc(S(C)(=O)=O)ncc2Br)OC1(C)C 2289418841 HAIVTBOXALCABE-VOTSOKGWSA-N 446.132 1.560 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2312859762 GVSHUQQHYNRZPI-YUELXQCFSA-N 432.330 1.457 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1O 2327841519 LLNFDSXOODJOQS-CYBMUJFWSA-N 446.533 1.566 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc(O)cc1 2330794444 UNIGTTLEVAFGJO-UHFFFAOYSA-N 438.513 1.911 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CCN2CCOCC2)c1=O 440378720 WVXFFKLRCLFWAT-UHFFFAOYSA-N 443.569 1.652 30 10 IDEE COc1ccccc1NC(=O)CN1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 440864893 GKAGYXMODAPMQO-UHFFFAOYSA-N 437.500 1.912 30 10 IDEE COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1F 445013067 IZPKPDTWGZKEPH-UHFFFAOYSA-N 446.460 1.178 30 10 IDEE C=CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447279897 JIESCKMDDTVEIS-UHFFFAOYSA-N 435.347 1.710 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 460611656 WGWPBRSQIQHYGF-VQIMIIECSA-N 430.468 2.375 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 461190858 GZLZGRHCTZVLTQ-SFHVURJKSA-N 429.498 1.874 30 10 IDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 462086029 VNPKKLUXRRJCBO-KRWDZBQOSA-N 431.504 1.866 30 10 IDEE COC(=O)CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1 467864201 AHSBPOLEDZTIIR-UHFFFAOYSA-N 433.530 1.905 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 469889894 ALZPGLSTQBJDBW-SXLOBPIMSA-N 445.541 1.759 30 10 IDEE COc1ccc(-c2noc(=O)n2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1OC 502859111 BTHMHOGWIVUTND-MRXNPFEDSA-N 429.477 1.213 30 10 IDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505515980 PWCXMIJUXJTYDK-ROUUACIJSA-N 425.489 1.623 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2c3ccccc3C[C@H]2C(N)=O)CC1 507683270 JLAGTNXQLFCOPL-SFHVURJKSA-N 446.467 1.371 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 511079896 GOJGHTKRILTYHQ-QGZVFWFLSA-N 431.480 1.529 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1ccccc1C#N 518717134 BQFSJQQWGJWGPH-UHFFFAOYSA-N 444.516 1.645 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C)cn3)c2=O)cn1 532394181 VQTBDHUFWPYYIU-UHFFFAOYSA-N 432.505 1.878 30 10 IDEE COc1ncc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cc(C#N)cs3)c2=O)c(C)n1 540630354 OODURNILZCQDPE-UHFFFAOYSA-N 438.534 1.587 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 603797292 BCSYFFBVWSEQQE-HNNXBMFYSA-N 431.464 1.149 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@H]1CCCO1 603797702 FTEFPHJYYYJVST-OAHLLOKOSA-N 447.582 1.115 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccoc3)no2)CC1 610036074 MJMKGSHHERHZLI-UHFFFAOYSA-N 441.469 1.667 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 614909567 VLXIDJOSNKEJTF-UHFFFAOYSA-N 447.507 1.248 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Cl)cc2)c1=O 623010575 AJNKVBJGHIVERM-UHFFFAOYSA-N 429.929 1.524 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 731070706 KBZDQNMQNNABHU-QIAWRQBBSA-N 442.497 1.673 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@]2(C)CCOC2)C1=O 733078534 YYBYKILQCXAVTG-ODPKLLGOSA-N 447.605 1.419 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2cccnc2Oc2ccccc2)C1 749793861 YTDMXLKAMACEPQ-LJQANCHMSA-N 441.532 1.984 30 10 IDEE Cc1cc(C)n2c(C=NNc3ncccc3S(=O)(=O)N3CCN(C)CC3)cnc2n1 755730336 JCROYILATZVPTC-UHFFFAOYSA-N 428.522 1.123 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 757015109 MTULDQUMCDNEOK-CVEARBPZSA-N 442.541 1.907 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 766334516 XPFUUSXASLPALJ-FQEVSTJZSA-N 428.533 1.482 30 10 IDEE C=CCOc1cc(OC)ccc1C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 766805158 UYLMMXKHFHCPGZ-UHFFFAOYSA-N 428.445 1.254 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 767967387 DBTCMPDZGUBTIY-OAQYLSRUSA-N 440.544 1.319 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(CCNC(=O)OC)s2)c1 788034491 TWSKFCHULUDGKO-UHFFFAOYSA-N 435.527 1.887 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)ccc1F 794210436 LWVGADHMEVLTNO-UHFFFAOYSA-N 434.449 1.438 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 794616423 KDKQAIYZPRFCTP-MRXNPFEDSA-N 449.488 1.090 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 800483083 XBGZXWCOFSELGR-UHFFFAOYSA-N 428.277 1.554 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(OCCN3CCCC3)cc2)cc1C#N 805997032 OWBKTTDWBAIZEW-UHFFFAOYSA-N 436.512 1.974 30 10 IDEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1 807932814 KMCUFLZOQFWTEN-GOSISDBHSA-N 443.577 1.577 30 10 IDEE C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 921218507 XXTCCTYXSFCKFS-GANRHZMWSA-N 436.530 1.656 30 10 IDEE CCn1cc(C=NNc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)cn1 1083913578 XWUQZPXEKIQLRM-UHFFFAOYSA-N 433.586 1.985 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)c3ccc(F)cc3F)C2=O)cc1 1167611452 QXIMWTWRXDPYTH-ROUUACIJSA-N 428.395 1.891 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2nnc3n2CCC[C@H]3C(F)(F)F)CC1 1176135650 BEJJUTTWDAXPRA-CVEARBPZSA-N 441.502 1.842 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N[C@@H](CO)c2ccccc2I)C1 1255363660 MREWEAWNNIFHDT-BBRMVZONSA-N 427.286 1.721 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1286296099 MMUMMQKBKSDIRF-XHSDSOJGSA-N 445.536 1.894 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1286338551 CYCOKIXYAFDOHS-MRXNPFEDSA-N 429.546 1.854 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286349973 RNUIQYGFTMANNL-ZWKOTPCHSA-N 425.537 1.983 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1286390619 CNXIZNJLQHVEJB-QGZVFWFLSA-N 449.964 1.985 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286392712 JSPDZSPVNGADKG-CEXWTWQISA-N 435.594 1.139 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1286466190 DZBUPRJOOMWDAF-APWZRJJASA-N 432.546 1.368 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286510205 LMHLJCJVSWENRY-MRXNPFEDSA-N 426.550 1.558 30 10 IDEE CC(C)CN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1=O 1287749483 ONSFUCCRPJFDTA-IGGDJGDASA-N 443.552 1.621 30 10 IDEE Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290769234 ILHKSDFMBBWLAJ-ZPWFJYARSA-N 442.442 1.643 30 10 IDEE C[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1291116430 MTTOHKCBKRYSLI-MMYRVIJDSA-N 427.509 1.382 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1291189377 ABZQSZFHSQHJMI-RDJZCZTQSA-N 442.545 1.308 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1292208247 BBTQXURDWBBCPF-XHSDSOJGSA-N 439.524 1.031 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)c1 1293921266 XHSSGVDZXQMFSM-IBGZPJMESA-N 425.510 1.633 30 10 IDEE C=CCN(CC(=O)OCC)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1295187018 KDXDKOODYMNTNV-UHFFFAOYSA-N 439.715 1.941 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)OC)CCOC1 1296612320 CJOIOAGXBCHUDX-LHSJRXKWSA-N 428.493 1.500 30 10 IDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300352750 CMCFBSFOPLPZTF-UHFFFAOYSA-N 430.516 1.964 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1300649684 OSPLEJPXXZAVLB-GOSISDBHSA-N 447.923 1.363 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1300700854 XYMGPDHBBXHZBQ-IBGZPJMESA-N 430.597 1.427 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCSC)CC1 1300716122 JILZQTWQMKTZOP-OAQYLSRUSA-N 435.594 1.649 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1300725788 JZDPQARCJYJPTK-SFHVURJKSA-N 435.594 1.410 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300755177 NISPKNIMMOGIAL-UHFFFAOYSA-N 444.609 1.035 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1300848321 DDTVMQMZLHQBSI-KGLIPLIRSA-N 446.371 1.194 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300988914 LHBQJCCFLDZWIK-DLBZAZTESA-N 444.540 1.644 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1300990380 DCDGPOMAAYMCDO-WBVHZDCISA-N 444.540 1.397 30 10 IDEE C=CCCOCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301259407 LDKJOYDEDXVNQO-YADHBBJMSA-N 433.553 1.628 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1 1301483243 LNTZUDQCDQOYEW-AWEZNQCLSA-N 434.447 1.550 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301489861 FJBFSGMOCZWIJN-GHTZIAJQSA-N 438.576 1.967 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301490331 RBDUIDFKUIWLRY-QGZVFWFLSA-N 432.912 1.242 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCCC)CC1 1301491097 LMAQPVPXPODOGM-UHFFFAOYSA-N 425.537 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301585451 BCOYVNLPKSPRPP-LPHOPBHVSA-N 431.562 1.868 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCO[C@H]1CCOC1 1303827013 DJBWOBHAVLBHQH-HOTGVXAUSA-N 440.570 1.214 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1325253851 GSEKRHJGKNWZAH-GOSISDBHSA-N 435.546 1.103 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1337650928 UGISFXAGYABOGI-QGZVFWFLSA-N 427.505 1.209 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1358890550 QZHFJUMMFDEDNK-GDBMZVCRSA-N 436.559 1.090 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1358919577 FRNNHSWFSLJLSZ-CQSZACIVSA-N 436.504 1.376 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2ccccc21 1358948790 LFZWGBQMKKUSIN-UYAOXDASSA-N 443.573 1.801 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1COCCO1 1358971598 BBFORPCNHZLWTE-QGZVFWFLSA-N 426.473 1.459 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC[C@@H]1OC 1359021566 TXDAFEYGYNLFPT-PXNSSMCTSA-N 428.489 1.811 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@@H]1OC 1359023384 IWEZDSQYJMFNLP-QAPCUYQASA-N 431.493 1.143 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1359240260 JXQSLDBJFAXLPH-FQEVSTJZSA-N 445.589 1.683 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ncnc3sccc23)CC1 1359304726 HRDMVXDTXGKETH-UHFFFAOYSA-N 442.549 1.448 30 10 IDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1-c1ccc(OC(C)C)cc1 1439798214 STPQWKKZTHRDAF-YCRPNKLZSA-N 443.529 1.627 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2 1456224561 UBWPZCGUHOIPHO-IAGYGMIVSA-N 437.562 1.951 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 1470780588 HKHOYNWSLONLIK-UHFFFAOYSA-N 438.282 1.062 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@H]2CCCO2)CCOC1 1502681360 HFJMLPSAOTVGAG-JRGCBEDISA-N 437.516 1.958 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)NC(C)(C)C 1503102839 DKVITJDISKPKMC-UHFFFAOYSA-N 440.552 1.713 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1507518766 NFMJSLRYTLDZFT-CQSZACIVSA-N 445.593 1.777 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1507533359 KCNJEHADRUZQCA-CGTJXYLNSA-N 426.521 1.662 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1507539540 WOCGVNANCJIGDB-ABSDTBQOSA-N 439.516 1.743 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN(C(C)=O)C1 1507606816 YEHQYYFRHITJSD-KRWDZBQOSA-N 429.546 1.677 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1507622708 LDCLNTHVXOXZRD-SFHVURJKSA-N 439.545 1.657 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccnc2OCC)CC1 1507716877 VNPYMUJAJSEMQM-UHFFFAOYSA-N 439.564 1.794 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 1507722076 YLECCPUWENUZRU-UHFFFAOYSA-N 448.980 1.389 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1507750691 BZJWITXQAVHFRX-DLBZAZTESA-N 438.619 1.678 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1507764264 KWZUQRHHCSRKIL-YRISNDGFSA-N 434.610 1.897 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1508134865 HVEOJBOKWCNHFJ-MRXNPFEDSA-N 433.534 1.256 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cccc(O)c1 1508140965 RLTVVJJSSCYQEB-PBHICJAKSA-N 433.534 1.733 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1513995714 BIIAGRRIWLUXPV-CRAIPNDOSA-N 432.550 1.903 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)c1 1528411655 GTYBQPWMMMJOGN-VQHVLOKHSA-N 445.475 1.904 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C/C=C/CC)c1 1539037943 JMDJHIDTWJKCHP-FDMDGMSGSA-N 444.561 1.911 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539066125 PNMMLHBAZZCSND-QGZVFWFLSA-N 438.536 1.548 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1539126560 YGQAPWGFUCKBJO-QZTJIDSGSA-N 435.594 1.582 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1539210357 BXFMWEILVFYOER-OAHLLOKOSA-N 435.937 1.657 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539225626 PSTSSRADUVIGOZ-IEBWSBKVSA-N 429.546 1.317 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539311482 OONGHLHJYOIPLW-NRFANRHFSA-N 435.576 1.689 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1539370546 XGXMHENOKILGOV-MRXNPFEDSA-N 443.639 1.992 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCS(C)(=O)=O 1539392667 UWOMKTAMJIDDCB-UHFFFAOYSA-N 447.536 1.614 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 1540440325 CVDZISVMZQYVAD-OAHLLOKOSA-N 434.539 1.964 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540868946 XCQZMUYNEJXQCM-ZDUSSCGKSA-N 426.447 1.054 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1540910053 WBBJJOULSPFYFX-CQSZACIVSA-N 446.599 1.086 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1552887281 GNJPTVHLBHBVGU-MSOLQXFVSA-N 439.545 1.908 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1554432369 JRUGPOXXOHHQTN-VKJFTORMSA-N 428.493 1.477 30 10 IDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1554594582 LTQGPSQVUAYHRT-JLCFBVMHSA-N 437.504 1.666 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)C)cc1 1554896598 DWQDRWSIWGPGKH-LJQANCHMSA-N 426.521 1.573 30 10 IDEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1554903558 GRISMASOMPSHLT-IFXJQAMLSA-N 436.513 1.582 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1555816357 IBLFLCZBBBGEDL-IBGZPJMESA-N 443.577 1.431 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@H](O)CC2(C#N)CCOCC2)C1 1559508673 PGKQKACAKMERGH-QZTJIDSGSA-N 438.569 1.411 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CC(=O)Nc2cc(Cl)ccc2C#N)C1 1560043844 LVHAFUJOPMTERG-UHFFFAOYSA-N 447.923 1.962 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1565594691 LQNVCNSHQNVATF-ROUUACIJSA-N 429.473 1.793 30 10 IDEE CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1583847631 BSECNNPMLUCEKT-LJQANCHMSA-N 430.534 1.171 30 10 IDEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)c2)cc1 1587067909 ANTYXDODSFPNTE-UHFFFAOYSA-N 440.485 1.717 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1588050414 MAQLERMDWCWDSI-OAHLLOKOSA-N 430.933 1.619 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc(C)cs2)CC1 1588891075 LBUPQFFFENFGPE-MRXNPFEDSA-N 446.577 1.781 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1589007664 OKOFKJRYMFJAEV-INIZCTEOSA-N 449.602 1.787 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1589052986 BXQWFMUFEXNGQJ-AWEZNQCLSA-N 430.534 1.335 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1595267094 PVBWBRQDRXFHJN-UHFFFAOYSA-N 433.601 1.179 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1595467533 WZLXTFDTPUNXNQ-UHFFFAOYSA-N 446.577 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCC)CC1 1595490078 LSYFAGUDTLZQFB-UHFFFAOYSA-N 445.955 1.159 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595506806 NELVLWOYZPCKDY-CYBMUJFWSA-N 441.916 1.663 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1 1595537279 OXBYDGJSVRTHOE-LBPRGKRZSA-N 437.298 1.523 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCNc2ncccc2C(F)(F)F)c1 1596511601 OYYZSFZDODKHIJ-UHFFFAOYSA-N 426.420 1.854 30 10 IDEE Cc1cc(C)cc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1597361486 IJYIXCXUJSIYFT-JXFKEZNVSA-N 430.555 1.978 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1598063297 SJUDHERTTRLZPO-MOPGFXCFSA-N 435.532 1.694 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C 1615871682 FEMMPNKQJVGSOY-IUKKYPGJSA-N 440.548 1.799 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1618540638 SQPTYIYBQXDWTM-HZDTVXMRSA-N 441.492 1.191 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C#N 1618842418 SHHQOCVVHGUWBH-LBPRGKRZSA-N 441.355 1.853 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@@H]1C 1620018250 BTVFIMRQYWDJNU-LISAXSMJSA-N 426.525 1.960 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1620111299 QIHLHKSXAPMCNY-SXLOBPIMSA-N 440.504 1.738 30 10 IDEE N#C[C@]12CN(C[C@@]3(O)CCCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1620635191 FPTHAWUPQYAJPD-TYPHKJRUSA-N 433.530 1.020 30 10 IDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)c1N 1622224618 GNDHZEKYXYBUAA-UHFFFAOYSA-N 439.444 1.818 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)c(C(F)(F)F)c1 1622487171 GTUUQFLABSIMCE-UHFFFAOYSA-N 445.444 1.971 30 10 IDEE C=CC1(CC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1623951476 RCXXLWVBKFRLSE-MGPUTAFESA-N 428.551 1.652 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1624628064 FHWNODLJFZWWNG-HUUCEWRRSA-N 431.555 1.046 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCN(C)CC1 1626637004 DOESODZGZMWJIJ-UHFFFAOYSA-N 439.965 1.531 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3CCC[C@H]3C(N)=O)C2)C1 1629698975 GGJRVLHJIPVWFS-JBLFJGJOSA-N 433.553 1.229 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1631208675 OGLWAWKRWKHYRI-OIISXLGYSA-N 446.935 1.954 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)s1 1632434500 NPKZVNNBAUQGCF-JKSUJKDBSA-N 426.560 1.742 30 10 IDEE CCOC(=O)CON=C(C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1cc[nH]n1 1633995014 MADWQDKNWUZMQU-KBPBESRZSA-N 435.481 1.304 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC(F)(F)F)CC(=O)OC)s1 1635408566 PTONVJDGDTWYEG-UHFFFAOYSA-N 428.454 1.709 30 10 IDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1639660804 ILKJDHHDLHBCEY-LLVKDONJSA-N 442.419 1.815 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)c(=O)n1C1CC1 1641346615 AKRNMMJWOBKCBC-UHFFFAOYSA-N 436.390 1.739 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCc2ccc(C#N)cc2)cc1 1641744877 HIAFVHXKPWUULM-UHFFFAOYSA-N 442.541 1.677 30 10 IDEE COC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1644448794 LSYKOCDKIORNIP-SLFFLAALSA-N 432.496 1.235 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1644590929 VLMKHDDHPOPINX-QGZVFWFLSA-N 436.530 1.561 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1646082479 RQGUAMRJTAVRIM-UHFFFAOYSA-N 430.486 1.638 30 10 IDEE N#Cc1cn(CCNC(=O)c2cnn(Cc3ccccc3)c2Br)c(=O)nc1O 1646147473 IPKDOLXJPVUCBD-UHFFFAOYSA-N 443.261 1.258 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(OC)c(OC)c3)C2)c1 1648812240 IUBYVHZHCPBGTN-OAQYLSRUSA-N 444.509 1.829 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)nn1 1683314964 DHPYREQSHZFJSO-UHFFFAOYSA-N 439.564 1.634 30 10 IDEE C#CCOCCNC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1685865795 PYVJQGFOLVHGFF-ZWKOTPCHSA-N 449.552 1.213 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689968780 GPQCSVQBNGSNES-FQEVSTJZSA-N 438.576 1.890 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(=O)(=O)CC 1689972596 UQWYPQGJWUGRSV-UHFFFAOYSA-N 444.605 1.147 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1689993654 JAZLOSRWBKORKB-MRXNPFEDSA-N 435.575 1.082 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1conc1COC 1690063867 RRAIEXKPSIYYCT-UHFFFAOYSA-N 429.502 1.991 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1690077758 WDHZJQMOLYQZFX-GFCCVEGCSA-N 426.436 1.557 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1690365913 KSOQUZIIEQNBGS-LJQANCHMSA-N 427.571 1.414 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1690668879 MQHUJGMFVVJPOQ-HNNXBMFYSA-N 437.508 1.928 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1691003992 NKXSFJYVUPFGLU-NVXWUHKLSA-N 432.550 1.658 30 10 IDEE CCOC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695996850 FGUSVYDCRPRJIM-IRXDYDNUSA-N 440.552 1.974 30 10 IDEE CN(CCc1nccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1696788069 ASATXZSCIXWRHJ-CYBMUJFWSA-N 432.531 1.829 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1696890561 CIYXCVCHDOLESQ-UHFFFAOYSA-N 444.561 1.602 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)COC)C1 1696950245 DYAWIBOWEGYTHG-FUHWJXTLSA-N 426.521 1.974 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1697048399 DVZKVQLTQYHGPS-KRWDZBQOSA-N 438.532 1.927 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1697988941 OVMBETBZXJUBOC-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1705655150 FOAFHGIZUBYGBM-MRXNPFEDSA-N 449.602 1.787 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705725939 ZVYHGHVULOTHRJ-INIZCTEOSA-N 430.534 1.114 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](COC)C1 1705738437 XZWMYWGNFRQQHE-IBGZPJMESA-N 426.521 1.961 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706117769 ABYYTKNCZSPSGW-FARYLTDUSA-N 442.442 1.870 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCn2ccnc2C1 1706867865 SAFLGYKLEVKCJQ-JKSUJKDBSA-N 446.581 1.477 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1707911061 BUWAQXQZKPYVGZ-LJQANCHMSA-N 448.506 1.663 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)C1CC1 1708531502 DABLHQPMQZJFCS-HZPDHXFCSA-N 437.552 1.695 30 10 IDEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCC1 1708770510 AMJMWBONYDQTLQ-QKLQHJQFSA-N 437.614 1.893 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1OC 1712684654 BUINBDUHFDVCIL-UEXGIBASSA-N 445.545 1.447 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722363744 BOCMULQSFTZUNG-HXUWFJFHSA-N 436.541 1.528 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)CC=C 1722423125 WYZANUUAHSRQEI-GOSISDBHSA-N 445.520 1.609 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)N(C)C)CC1 1722429508 MUJMQQVDKSOLGO-SFHVURJKSA-N 429.594 1.536 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnn(CCOC)c2)CC1 1722438770 BERUJICMBJDDJF-UHFFFAOYSA-N 449.559 1.524 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCC2CCOCC2)CC1 1722447017 GTVIBIZAXCACFB-HXUWFJFHSA-N 429.565 1.955 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cn(C3COC3)nn2)CC1 1722573385 WHGBHUQGASSNJE-UHFFFAOYSA-N 428.541 1.810 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722630326 DCDZDQGQDMSKQU-RTBURBONSA-N 432.569 1.465 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1)C1CC1 1722650868 NCEVARUIQDYWBD-CABCVRRESA-N 447.508 1.190 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1722692581 RZFPGMPMUQAHPV-HNNXBMFYSA-N 445.499 1.300 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C#N)cc1 1722728179 RGSLWQCMEAJOHI-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE C[C@@H]1CCCC[C@@H]1OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1726531175 GCPVMRFBVYWGND-OWSLCNJRSA-N 437.566 1.504 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1729723329 FTLWPDMHVJAMJQ-UHFFFAOYSA-N 449.519 1.373 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1740533886 VAJRHGIFHLPMGH-HUUCEWRRSA-N 429.550 1.855 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1740553421 RYCFEVIERRQRJG-PKOBYXMFSA-N 447.561 1.456 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)N[C@H](C)CC)CC1 1740704620 PZUCNNYOQDPVHJ-MRXNPFEDSA-N 425.537 1.544 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740714059 PXRGJWMBKHBEMU-UHFFFAOYSA-N 437.573 1.393 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1740959586 AJHDNUMZOMURSH-SFHVURJKSA-N 440.548 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCNC(=O)[C@@H]1CC 1740989701 VQVGRJIHRHZUGX-INIZCTEOSA-N 437.953 1.914 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1741476282 GZBMCRCNRDYWLL-GOSISDBHSA-N 436.564 1.985 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)no1 1742129295 DRWZGEORGPQMJB-UHFFFAOYSA-N 427.490 1.243 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1748847217 PIBNUKUFVKBFKO-SONOPUAISA-N 444.582 1.180 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)CCOC 1748944743 CVUMUMXALASQML-XMSQKQJNSA-N 429.496 1.796 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1748971093 CLRDWOKWQZKMPN-QFIPXVFZSA-N 449.603 1.881 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nc(C)cs2)CC1 1748977922 FHZCDMOTRBQPOG-NRFANRHFSA-N 430.578 1.887 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N2CCOCC2)CC1 1749009833 LWCYDFQWWLXYJQ-QUCCMNQESA-N 444.580 1.206 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCSC2)CC1 1749016496 FQKXSUQYZLSORW-QFIPXVFZSA-N 440.573 1.098 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749031585 BJMFNNJJLMAEDI-UHFFFAOYSA-N 441.605 1.394 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C)COC1 1749998463 VGLPWRQYXTYXEA-KRWDZBQOSA-N 441.536 1.632 30 10 IDEE COCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1750037930 DEMHGGLODHZACE-SFHVURJKSA-N 447.499 1.597 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1751094665 MQMAAJHIQUVLKG-TVFCKZIOSA-N 436.582 1.725 30 10 IDEE Cc1ccn2cc(Cn3c([C@@H]4CCS(=O)(=O)C4)nnc3N(C)C[C@@H](C)C#N)nc2c1 1751440288 DBCOCYXUYPOOFN-JKSUJKDBSA-N 427.534 1.781 30 10 IDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1751810614 AFCSYYWRNKRBAW-UHFFFAOYSA-N 434.504 1.317 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760127761 LOTIAOUGFLYQNA-PMACEKPBSA-N 428.581 1.865 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2Cc3ccccc3O2)CC1 1760251478 BIMWDEWOVLNXNA-FQEVSTJZSA-N 436.560 1.955 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760261818 CTJPFYSSMMVOBU-WZONZLPQSA-N 425.533 1.173 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1760269768 OIMYGAIFMWSFHH-IBGZPJMESA-N 441.624 1.537 30 10 IDEE CCOCc1nnc(N2CCCC[C@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767904066 LKGCQBAHBCVNDE-QBNCKDSPSA-N 432.525 1.594 30 10 IDEE COC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1767905444 OPHQYZFZLISPNR-CZIZESTLSA-N 442.520 1.852 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1768287351 PYNXRZVNMRDHES-QGZVFWFLSA-N 436.513 1.066 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)cc1C 1855722653 CYEHBADBVUEQOL-HNNXBMFYSA-N 427.482 1.937 30 10 IDEE COc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)ccn1 1856327240 UQLRKECCBLKZEF-INIZCTEOSA-N 425.514 1.582 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3ccc(Cl)cc3)C(=O)O2)CC1 1856653603 YJVJSZYOPANSBX-MRXNPFEDSA-N 425.894 1.795 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)C1=O 1857150909 RSEJLDZAQCJOKQ-MRXNPFEDSA-N 428.855 1.702 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@@H]2CCOC2)CC1 1857468167 XQKRGOCHYYULCM-QGZVFWFLSA-N 431.514 1.843 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1859012039 WYPSSPCKIMYTFL-UHFFFAOYSA-N 445.453 1.544 30 10 IDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 1984786344 OJQVDKSTGLIYPS-ZIAGYGMSSA-N 427.498 1.988 30 10 IDEE C#CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)C(=O)OC(C)(C)C 1985011881 TVIUKYGNXBLFAX-CVEARBPZSA-N 425.526 1.591 30 10 IDEE C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H]2[C@H](O)[C@H]1[C@H](OC(C)=O)[C@]3(O)[C@@H]7N4C6 2058717357 OGNUSOJAYIHLNS-UZDUVVSXSA-N 429.513 1.021 30 10 IDEE CN1C[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2124534936 VEFIPAHREYJDKA-JYYAWHABSA-N 449.357 1.615 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(C#CCO)cn1 2158599498 YJFJGTSBZCGZJU-UHFFFAOYSA-N 427.482 1.634 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387640 YBWSVXLZZBRVAX-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243675668 ZHUYMJHNWCAWDY-ZDUSSCGKSA-N 426.344 1.549 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)s1 2247801537 CVFSRIXBNCHMAC-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE Cc1cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255673126 CSQWHTNYJYZCHD-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)ns2)OC1(C)C 2255837354 OESBXLVSHXASBR-QFIPXVFZSA-N 443.378 1.809 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256069799 QOLXQHPLMXQNAR-YEJXKQKISA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256928165 QOUFTBIBQUJUEJ-CYBMUJFWSA-N 437.277 1.939 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2257495413 YEOXPARMPMIARY-HNNXBMFYSA-N 433.314 1.970 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2259345789 LNLMEYCEGADACJ-UKRRQHHQSA-N 432.330 1.809 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267171355 IXDHNBDNKLMORN-GOSISDBHSA-N 440.353 1.350 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267263203 BZTRGDNDIHVXEB-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C2CN(C(=O)OC(C)(C)C)C2)CC1 2267596950 NBFQVENURPXZMI-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE CC1(C)OB(c2sncc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2300339859 KTQBYDHCGZFLHJ-UHFFFAOYSA-N 429.351 1.419 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2312854164 WQGPQRJVUFIAPV-BPLDGKMQSA-N 432.330 1.837 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2315613184 HRMYJHHSSKOYPC-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 32831393 HRALBFGCOHSAJY-BEFAXECRSA-N 437.522 1.344 30 10 IDEE COc1ccccc1/C=C\C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 33694907 GMIXMOSVMBLICZ-WDZFZDKYSA-N 433.515 1.184 30 10 IDEE Cc1csc([C@H](C#N)C(=O)CSc2nnc(Cc3c(C)[nH]c(=O)n(C)c3=O)o2)n1 108257584 HYQVAJNKNBECPP-LLVKDONJSA-N 432.487 1.089 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)C2=O)cc1 426372770 PIOQGOXOFBWXHW-GDAPPMFXSA-N 432.524 1.467 30 10 IDEE CCO[C@H]1C[C@@](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)(C(=O)OC)C1(C)C 444564407 ZZTDYSIETPGBPT-OXJNMPFZSA-N 437.518 1.274 30 10 IDEE COc1cccc(OC)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 464854225 GMPDASSAANZRDS-UHFFFAOYSA-N 429.498 1.651 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 477476096 DWDKZWDQRQKKFL-UHFFFAOYSA-N 447.966 1.679 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 506341128 VTPLWIWAMKSTCA-QHCPKHFHSA-N 446.523 1.961 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1(c2ccccc2)CC1 508929642 BDEHBQLNKBIFIH-GOSISDBHSA-N 431.562 1.965 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3C)n2CC)CC1 517751671 DIGCEJNXKIOEGY-UHFFFAOYSA-N 442.589 1.812 30 10 IDEE COc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1-n1cnnn1 542858223 GHHJBYGQLLDERV-KRWDZBQOSA-N 435.469 1.696 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)NCc3ccccc3CN3CCCC3=O)CC2)n1 545503763 BJFLRDSDXZFNOY-UHFFFAOYSA-N 432.528 1.514 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 549670323 RYEVATMYMHAZMW-OAHLLOKOSA-N 427.571 1.581 30 10 IDEE CS(=O)(=O)c1ccc(CCC(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585226866 CSRLUAVJGSZBMG-UHFFFAOYSA-N 427.530 1.717 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 588822535 PCEOVESRHHJYSK-UHFFFAOYSA-N 437.424 1.608 30 10 IDEE N#Cc1ccc(N2CC[C@@H](N3CCN(c4ccccc4S(N)(=O)=O)CC3)C2=O)cc1 615456992 QVCSFENLPZTXIF-LJQANCHMSA-N 425.514 1.133 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669811432 SSTIAMRFYCJXPN-GOSISDBHSA-N 430.578 1.935 30 10 IDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 670234597 QITZVWRYAZINOG-YLJYHZDGSA-N 426.569 1.634 30 10 IDEE CN(Cc1ncnn1CC(F)F)C(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 683892018 CCXNAMLUDVLTTM-UHFFFAOYSA-N 432.300 1.961 30 10 IDEE CC(C)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2ccccn12 726165798 HNBPZYHYPJDCJU-GOSISDBHSA-N 426.502 1.671 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727010385 XFZZOCXHPYWMRV-UHFFFAOYSA-N 445.479 1.950 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)cc1 728830552 MHLPLNHOSBAOIG-INIZCTEOSA-N 444.513 1.094 30 10 IDEE C#CCN(C(=O)COc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 729332203 VVLNBSKXWOZXLA-ZDUSSCGKSA-N 433.267 1.319 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)[C@H]1CCS(=O)(=O)C1 731839375 GUXHGOBHJKJZPA-AWEZNQCLSA-N 446.978 1.633 30 10 IDEE N#C[C@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NCc1ccccc1 732495138 RDWBDZMBTJPBFN-TZIWHRDSSA-N 430.464 1.487 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(OC)ccc1Cl 743731563 STTQFVDQLBUXKY-UHFFFAOYSA-N 441.896 1.959 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cnn3cc(Br)cnc23)[C@H](C#N)C1 756895418 VNROENFGMINIDS-ZWNOBZJWSA-N 435.282 1.981 30 10 IDEE COc1cccc(/C=C(\C(=O)N2CCN(c3cccc(C#N)n3)CC2)n2nnnc2C)c1 760794530 UCZDTSJBRBSLGO-XSFVSMFZSA-N 430.472 1.604 30 10 IDEE C[C@H](CC(=O)NCC[C@@H]1COc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 765658054 LGNZYEXCJZFCCO-HUUCEWRRSA-N 429.498 1.850 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCSC[C@H]2CCO)c1 768972371 LVRDWNMZAGZNOI-JXLCAQNNSA-N 426.564 1.831 30 10 IDEE C#CCN1CCC(C(=O)OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 772110703 WROWXBRKBHKEAO-UHFFFAOYSA-N 427.549 1.445 30 10 IDEE CCOC(=O)C1=C(COC(=O)c2ccnc(C#N)c2)NC(=O)N[C@H]1c1ccc(OC)cc1 795974923 BOCAGMRREGMODW-IBGZPJMESA-N 436.424 1.990 30 10 IDEE C#C[C@@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 798362905 NLJHHTRUHUEWRY-ROUUACIJSA-N 443.573 1.443 30 10 IDEE Cc1cccc(C2(O)CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1C 810441053 BFZCVZPWFVALGK-UHFFFAOYSA-N 427.526 1.964 30 10 IDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)c1 813982253 VSQXWSRHMXLYCS-VQTJNVASSA-N 437.481 1.781 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)c1 857836055 HJNMGKAYTFVRHA-CQSZACIVSA-N 443.481 1.142 30 10 IDEE O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 919710109 GIPVSUNBGHARDK-CQSZACIVSA-N 447.542 1.592 30 10 IDEE COCC#CC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1136826761 BKCJVMZMTKOOKK-UHFFFAOYSA-N 429.336 1.017 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1138991498 ORBWVSJIEPKTMC-SZMVWBNQSA-N 442.375 1.933 30 10 IDEE Cn1cc(I)c(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)n1 1140318584 ZNWYJMWLEVLLLM-UHFFFAOYSA-N 433.213 1.917 30 10 IDEE C=CC[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1156151078 YSFSVGWHEUBCRZ-QVKFZJNVSA-N 437.496 1.822 30 10 IDEE COCCOc1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nn1 1160153244 YKMZTMWTEZUNTK-UHFFFAOYSA-N 446.305 1.889 30 10 IDEE COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1=O 1160604539 KFRVBOJVGMOXFE-HXUWFJFHSA-N 437.544 1.875 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C[C@H](O)CC4(C#N)CC4)CC[C@H]32)CC1 1195147365 KUDNNFAGGUHMPK-GUDVDZBRSA-N 447.580 1.909 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 1201161671 BZOBOTJWBVQFGZ-UHFFFAOYSA-N 441.467 1.107 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1286376018 CNKCTQSFXNQSOX-GOSISDBHSA-N 447.536 1.551 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286392293 BGZMVXMPXPAOPA-MSOLQXFVSA-N 432.546 1.827 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)C 1286396400 FCXKJAVBXXIJAB-UHFFFAOYSA-N 440.935 1.707 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC)cc1 1286408555 CZXQINRQGQHOPB-FQEVSTJZSA-N 426.542 1.838 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286410525 BJGVNTVRSLCIKD-OAQYLSRUSA-N 433.560 1.279 30 10 IDEE C#CCSCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286510449 SLBDDFMTNOYHAH-QFBILLFUSA-N 442.607 1.308 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1286687960 OCYUTILGNPDGAW-KRWDZBQOSA-N 431.566 1.653 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnc(C(C)C)nc1 1286791410 YTJRURJPVUPAJA-UHFFFAOYSA-N 426.525 1.253 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286816916 IWAKZBJPEWADOH-UHFFFAOYSA-N 447.561 1.670 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(-n2cccn2)cc1 1288770873 BJBQKGKPGFTGRK-CVEARBPZSA-N 442.549 1.861 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCc1ccc(Br)cc1F)c1cc[nH]n1 1293235958 WRRAFASAQZDQGQ-UHFFFAOYSA-N 441.257 1.954 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1293735769 GZFVTIJCCVDBQD-HNNXBMFYSA-N 427.509 1.814 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)C1 1296165455 ANFXPABVVVHCTK-CMPLNLGQSA-N 430.383 1.947 30 10 IDEE C=CCOC[C@H](NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)C(=O)OC 1297030623 YBLYINZZQVKAAT-IBGZPJMESA-N 434.489 1.416 30 10 IDEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1298752970 FUTTVNHPNXYHJA-UHFFFAOYSA-N 434.566 1.959 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cncn1 1300527781 KXXKDMKJVRGBDD-UHFFFAOYSA-N 427.472 1.039 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCCNC(C)=O)CC1 1300709655 AIVRJRSBHCFPIU-UHFFFAOYSA-N 442.589 1.860 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1300873363 JAQDUTCGNIIOKP-MLHJIOFPSA-N 440.614 1.400 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1300885961 ULOVKRMGTMJPIH-ULQDDVLXSA-N 427.571 1.438 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCC2)C1 1301538664 JSQVESLDDOYHCD-HOTGVXAUSA-N 426.587 1.154 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)NCC#CCO)CCN(Cc2ccccc2)CC1 1313190370 CAAGJHPVALWFKM-UHFFFAOYSA-N 430.549 1.841 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1313547451 HUWGEBKIDOMGQY-KRWDZBQOSA-N 430.534 1.308 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1314564113 NYAQVSXVQYFXOB-PRAQEBQASA-N 428.518 1.616 30 10 IDEE Cn1ncc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)n1 1314932794 NIGXFWWDVIGQFN-OAHLLOKOSA-N 428.447 1.637 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1314944745 FJNNDAUFLMKZBF-QGZVFWFLSA-N 438.536 1.495 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN2CCCO)CCO1 1316538433 KKSNDRPBUCTNEB-DLBZAZTESA-N 431.928 1.569 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCOC2)CCO1 1316540564 WSZLTACKHKXHMG-FZKQIMNGSA-N 434.294 1.588 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCOC2)cc1 1332161432 QHLAVMLODLKOSQ-AZUAARDMSA-N 433.516 1.942 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(COCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1358957584 WRRJKAVVJRJZCS-FQEVSTJZSA-N 432.546 1.425 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358962320 NUCSBOCOVGGNKJ-ROUUACIJSA-N 449.577 1.063 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965809 BLLWXLKREQHLGX-WSTZPKSXSA-N 433.622 1.978 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)COC2)CC1 1359031604 INLGXCDHBQVUIE-UHFFFAOYSA-N 429.546 1.140 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C(=O)NCC)CC1 1359032812 DHVIYHVYDKXXBS-UHFFFAOYSA-N 438.532 1.591 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359051523 ZJVSAFHASSINQF-HXUWFJFHSA-N 447.586 1.417 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359100979 ITNCKHQUPWCEQO-POAQFYNOSA-N 426.521 1.196 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 1443357623 REWLSIRUZWLFIR-UHFFFAOYSA-N 449.342 1.531 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 1455116335 XRXRPIFDOVWAPQ-UHFFFAOYSA-N 438.706 1.467 30 10 IDEE N#Cc1cccc(-n2ccc(C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)n2)c1 1457539286 ARVCHCAJDYJIOR-UHFFFAOYSA-N 434.500 1.320 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ncc[nH]4)n3)CC2)cc1 1464039707 VCDVJQLQNSADMP-UHFFFAOYSA-N 428.499 1.552 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1465545472 JFUVTSBBHGHJNU-UHFFFAOYSA-N 425.420 1.511 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(I)c(Br)c1 1468372344 DGFKNYFZTJHJFS-SECBINFHSA-N 425.020 1.774 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1C 1473718797 PMQWATULXZZETM-OAQYLSRUSA-N 432.590 1.745 30 10 IDEE C=CC[C@@H]1CCN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1478306584 RLYGDNCEYALDAU-OAHLLOKOSA-N 445.563 1.399 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 1478959819 JIASHINKNXFSTI-PMERELPUSA-N 445.423 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1507670630 RTKHLGTZUFDDLE-UHFFFAOYSA-N 448.571 1.505 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1507707893 DYKOGSOPRQQJLC-GOSISDBHSA-N 427.530 1.728 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N(C)C)CC1 1507740999 SDPIZXBAOQIVTD-UHFFFAOYSA-N 436.560 1.507 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507753162 ITBWVEKKCVROMQ-UHFFFAOYSA-N 437.566 1.456 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507858062 BFLFYFNADQNGEF-LBPRGKRZSA-N 439.278 1.637 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1508087937 FIBIKXWYBUPSBQ-MRXNPFEDSA-N 446.581 1.351 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1508092559 RHDOVYOZVONDIY-AEFFLSMTSA-N 432.569 1.461 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1508422934 FNKURXRCXJQHQN-AEFFLSMTSA-N 444.561 1.483 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCC(=O)NC(C)(C)C)CC2)c1C#N 1511663507 HDTYONMDDIINDR-UHFFFAOYSA-N 441.584 1.947 30 10 IDEE COCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)ccc1=O 1516183572 DIYXOVPIWFFDLD-PTGBLXJZSA-N 447.517 1.345 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN(C(C)=O)C1 1516540300 VMWOXRXVXYANCJ-INIZCTEOSA-N 439.520 1.608 30 10 IDEE CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1520513207 LZQSAZZEDBLNHR-UHFFFAOYSA-N 428.566 1.763 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539045319 BUCDWYFBFMMIJT-RBUKOAKNSA-N 444.580 1.685 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCc2n[nH]c(C)n2)c1 1539046053 LSBGHJBZFPLHKK-GOSISDBHSA-N 434.504 1.855 30 10 IDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539060027 MJGYLUGJNFCRBT-UHFFFAOYSA-N 437.548 1.124 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539079030 NPONTIKQVDFORY-UHFFFAOYSA-N 440.596 1.590 30 10 IDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539115413 APKWTIHORDPIPA-UHFFFAOYSA-N 436.520 1.914 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1539147848 DECOHEFRNYRVHA-INIZCTEOSA-N 427.534 1.251 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1539180251 YIAMNGPRXAODHG-GOSISDBHSA-N 435.525 1.452 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539212732 RWOFPBRBZZJBLX-UGKGYDQZSA-N 441.557 1.850 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1539383708 IQNWUOGNFXOPIL-JKSBSHDWSA-N 432.569 1.575 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)OC)C1 1539526855 VQWBVYKKGLCGBC-CQSZACIVSA-N 433.559 1.635 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(C)C 1540864400 YOVJRUNGIQBWMH-UHFFFAOYSA-N 433.582 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](CC)C1 1540905466 SNGOKCKDMDIFRK-CABCVRRESA-N 448.636 1.113 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1540908453 GZLCBXDPQWLSBP-OXQOHEQNSA-N 442.582 1.392 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)=O)CC1 1540913474 NSWUYINVAAXMRG-UHFFFAOYSA-N 432.550 1.984 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)CCOC1 1541733860 WWDXXCNXFKYHGA-PGRDOPGGSA-N 448.568 1.158 30 10 IDEE CCCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1547014122 LDODXCFITOAIKC-QGZVFWFLSA-N 436.538 1.750 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC(C)C)CCO1 1554443996 KMGGGJJQKYQAOV-LJQANCHMSA-N 426.521 1.973 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(O)nc(C2CC2)n1 1558312210 YWQDEWQTNBZLJQ-INIZCTEOSA-N 443.529 1.973 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(CNC(=O)OC(C)(C)C)n1C 1558511461 ICWVZUNGJLGYQB-XOBRGWDASA-N 436.534 1.369 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C2)c(=O)nc1O 1558805063 CWHIVSZDWHSVOK-IBGZPJMESA-N 429.436 1.375 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 1562576171 OAIYXBQCSHKWTR-UHFFFAOYSA-N 437.266 1.344 30 10 IDEE Cn1ccnc1[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(F)cc1F 1565451443 ZCWPYGCJXIPWND-JOKNJTHLSA-N 435.456 1.367 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1570543219 HPXDBCOQUQJDEY-UHFFFAOYSA-N 439.520 1.183 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)Cc1ccon1 1587620620 IFKYLCCMNPOBFD-OAHLLOKOSA-N 429.506 1.214 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1588045397 KAFKYDNQCPSCKL-QVKFZJNVSA-N 445.520 1.189 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588070232 XMZIUPWPQRTZSP-RXVVDRJESA-N 448.593 1.173 30 10 IDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589394496 HGXRVMSAJHVKNU-UHFFFAOYSA-N 432.326 1.885 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1593763863 ROBZAQAVZBOJIW-UHFFFAOYSA-N 446.577 1.921 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595506942 RJUVDNRUFDVMQD-CQSZACIVSA-N 432.887 1.851 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](COC)C1 1595537711 WSOXQJJLGUNDRA-KRWDZBQOSA-N 438.488 1.754 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCCCC2=O)CC1 1595784955 OTEIMXVAOVKYHR-UHFFFAOYSA-N 446.577 1.855 30 10 IDEE CCNC(=O)c1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)cc1 1615930035 BLYYHZSANWXJON-FQEVSTJZSA-N 448.531 1.667 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)N(C)C)CCOC1 1616211997 ADTZYTFAFIGYGV-QRQCRPRQSA-N 441.536 1.415 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 1618760830 DVAQCBMMJWOCKU-INIZCTEOSA-N 428.961 1.789 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2cccnc2)nnc1N1CCC(F)(F)C1 1620384523 BUQMMONODWSRJU-ISLYRVAYSA-N 429.431 1.636 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1Br 1624607698 DPGGRHFVRORIEK-UHFFFAOYSA-N 449.330 1.931 30 10 IDEE Cc1ccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1626964878 DINSZEWFQHSVJF-UHFFFAOYSA-N 436.383 1.790 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC1(CN2CCOCC2)CCCCC1)c1cc[nH]n1 1629699487 GESCWOKKQRAUAX-UHFFFAOYSA-N 435.525 1.092 30 10 IDEE C[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)N1C(=O)c2ccc(Br)cc2C1=O 1631231134 JGLKSONISLKJHX-LLVKDONJSA-N 433.262 1.018 30 10 IDEE C=CC1(CC(=O)N[C@@H](C(=O)OCC)[C@@H](O)c2ccncc2)CN(C(=O)OC(C)(C)C)C1 1631259677 ZVHFWFKWHBQIDG-MSOLQXFVSA-N 433.505 1.976 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1635151384 AEFVMJJAPBHWBD-MRXNPFEDSA-N 437.518 1.925 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1636266502 GHCKOPUCJUNMQZ-LJQANCHMSA-N 429.502 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCc2c(sc(N)c2C#N)C1 1636719729 OYANZTNYVITVAF-AWEZNQCLSA-N 433.534 1.602 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 1641266874 JQBWBLMFJOZNGJ-HNNXBMFYSA-N 448.570 1.586 30 10 IDEE C=CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1644943045 PSXWHTFUNYCWAJ-UHFFFAOYSA-N 428.576 1.684 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648414600 SKQOPTHDSBQPHV-KKSFZXQISA-N 448.545 1.742 30 10 IDEE CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cc(C#N)nn1 1652015829 GPHKREXHPSRONK-UHFFFAOYSA-N 432.506 1.750 30 10 IDEE Cc1ccc(C(=O)NCCc2ccc3c(c2)OCCCO3)cc1S(=O)(=O)NCC#N 1652094051 NDRBRRBODLINFX-UHFFFAOYSA-N 429.498 1.931 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c1 1653611562 JEOASZKQLPALDQ-AZUAARDMSA-N 439.560 1.629 30 10 IDEE CC[C@H](CC#N)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1653822782 HLFLEWBURUCRDD-QGZVFWFLSA-N 449.577 1.528 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)c(O)c(OCC)c2)CC1 1665528897 PJFNSBXVRZCJQV-UHFFFAOYSA-N 432.340 1.139 30 10 IDEE C#CCCCS(=O)(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1670648073 YNJNLTZIQJWEOK-UHFFFAOYSA-N 429.583 1.957 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NC)cc1 1673393768 SCQNZZPRBHJCHU-IBGZPJMESA-N 430.530 1.972 30 10 IDEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)NCC#CCO)C2=O)cc1OC 1675461122 LWVNJFOHCDQYRL-GHRIWEEISA-N 433.486 1.425 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)C1 1677538819 BPLLDACYXDURRF-IBGZPJMESA-N 432.590 1.846 30 10 IDEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 1677791503 RCKWYIONOBYMHP-GOSISDBHSA-N 435.546 1.204 30 10 IDEE COc1ccnc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1F 1682825081 DLFUSZIOWONUSM-UHFFFAOYSA-N 433.465 1.317 30 10 IDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1690071408 UTAZFTNQKLVCLR-OAQYLSRUSA-N 427.530 1.446 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccccn1 1690101197 RNMXPLSBCKYSQO-UHFFFAOYSA-N 443.511 1.916 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1690102472 LRNLIJZVRDICIQ-HKUYNNGSSA-N 436.516 1.368 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1690124430 LCNCBZCOUJRQJW-QZTJIDSGSA-N 432.569 1.698 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690169881 REZRALIQYIYXJO-UHFFFAOYSA-N 448.618 1.983 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690170274 DHOOAYNPXPBCCS-UHFFFAOYSA-N 436.545 1.602 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690243835 QCDYQYAUOLVUIE-FXRXJOCMSA-N 430.509 1.020 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@@H]21 1690508081 AUCJUGSPRMEQQF-IKGGRYGDSA-N 425.555 1.192 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1690622636 UJVRDIAWHIYANK-QGZVFWFLSA-N 439.582 1.222 30 10 IDEE COCCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1697990288 JNPLJXFUZTYFNQ-INIZCTEOSA-N 434.491 1.844 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1705551690 QNEKQCBDRRULCG-QGZVFWFLSA-N 429.525 1.746 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705567221 UVSKHJONZQPENS-XUVXKRRUSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705569788 JTWPXOJUJWLZSV-XUVXKRRUSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1705584703 UUUIGLFPCKPRGE-NRFANRHFSA-N 431.544 1.436 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2CC2CCS(=O)(=O)CC2)n1 1705630854 JFYFJSLDWLTWOU-UHFFFAOYSA-N 448.593 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCC)CC1 1705643631 NAUBAAWSMFWUFK-QFIPXVFZSA-N 430.553 1.031 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ncc(CC)s2)CC1 1705648518 XZRRNGQSHIAPPX-UHFFFAOYSA-N 436.545 1.768 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)CC2CC2)CC1 1705649749 GGGHDDJDHSFNCT-UHFFFAOYSA-N 435.594 1.267 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1705674642 NJLYUYCOMHAGBQ-SQGPQFPESA-N 437.566 1.030 30 10 IDEE C=C(C)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728670 RZSFBQKJTRHFJB-QFBILLFUSA-N 427.571 1.365 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705737725 YHWRVOUCJDEWDH-GOSISDBHSA-N 431.541 1.778 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1nc(O)c2sccc2n1 1705900689 MCVLORAMDAMFER-UHFFFAOYSA-N 437.489 1.384 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCCN(C(C)=O)CC1 1705908806 VUUGSKGPMKEHTC-UHFFFAOYSA-N 440.548 1.780 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C)c2ccccc2C1 1705936804 YQKXJLTUNSZYDD-GOSISDBHSA-N 431.562 1.839 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO 1706753585 GQVCTYRRSAANGD-APWZRJJASA-N 425.537 1.364 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCc2nccs2)n1Cc1ccc(C#N)o1 1706857479 AJEXFEXKUNPXLD-LBPRGKRZSA-N 435.535 1.537 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1711417885 DTIBLGJIXOUVEM-LJQANCHMSA-N 443.577 1.431 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCSCC2)CC1 1722434023 KDHPTSXJSOCGEF-UHFFFAOYSA-N 441.561 1.657 30 10 IDEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1722535707 FNZHYKCZJTYFOU-KRWDZBQOSA-N 442.520 1.672 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1722722232 OFRWKLIYLIYGLY-IRXDYDNUSA-N 425.493 1.033 30 10 IDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1723724164 FGUSTWYNSSYSFW-UHFFFAOYSA-N 437.504 1.762 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCOc2ccccc2)n1Cc1ccc(C#N)o1 1723966752 PQXDWKQVIFRJNM-HNNXBMFYSA-N 444.517 1.916 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC[C@@H]1C 1727658050 ARLUBJAQTPPCDH-FXAWDEMLSA-N 437.548 1.928 30 10 IDEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1728057829 IVQJPUORCMSHHS-UHFFFAOYSA-N 435.532 1.888 30 10 IDEE CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1)S(C)(=O)=O 1728334068 SPTJSCWGCNOLIA-UHFFFAOYSA-N 444.561 1.592 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](CC(N)=O)C1 1740589929 CQAKGYJEOQTWGP-GOSISDBHSA-N 436.564 1.957 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1740591299 NQVLXYCZNZKVKI-HXUWFJFHSA-N 438.532 1.462 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1740621791 PFJGMVDAVHXTMR-SLFFLAALSA-N 441.557 1.948 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1740624723 JKGXUBITWBQPQG-YSIASYRMSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740655639 FCPCEOBIVVQUHF-QFIPXVFZSA-N 447.587 1.830 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)CCC(C)C)CC1 1740692618 NDPYGKUJEKAGND-GOTSBHOMSA-N 433.597 1.873 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OCC)c2ccccc2)CC1 1740698361 DQCCBGXDKMHUDB-OAQYLSRUSA-N 436.560 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1740707595 IMORQAKVRKIRFT-AUSIDOKSSA-N 445.564 1.509 30 10 IDEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740747330 FIPUOXNXRAFGQU-INIZCTEOSA-N 434.338 1.923 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1740937900 RWMMDHXOSSRZQA-SFHVURJKSA-N 429.521 1.859 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1740951105 PRWBZMBJPYQKCL-MRXNPFEDSA-N 440.504 1.093 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1740957730 YUQYBCGLRBYKCG-UHFFFAOYSA-N 442.527 1.836 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1740958136 IXCUCKCSQDKISI-GOSISDBHSA-N 437.548 1.475 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C2CC2)C1 1741233652 YUPNVQSFEJPOSL-ZVSCYDMRSA-N 446.552 1.939 30 10 IDEE C[C@H]1N(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1743380435 MSUITTYJGPZJAI-NFSBEEMKSA-N 430.509 1.660 30 10 IDEE CCSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747514747 VBHJAZRSNHCULL-KRWDZBQOSA-N 440.577 1.966 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748809021 PHUACUBJXMYTTB-KNQAVFIVSA-N 439.541 1.604 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1748829807 KGBJDXYRVPCIQN-VWLOTQADSA-N 449.555 1.888 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1748869077 SORZWEPEWSTZML-NZQKXSOJSA-N 427.549 1.652 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1748892931 YCCPJLPHYNDBOK-VQTJNVASSA-N 431.606 1.764 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1749364849 XGIYVKWJBYSDFU-SFHVURJKSA-N 445.612 1.822 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1749729088 ALDUBRKYXDCTDE-QGZVFWFLSA-N 435.550 1.571 30 10 IDEE C[C@@H]1C[C@@H](C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1751995039 RARRFSMCKLUCDL-SJTPKYKMSA-N 441.536 1.523 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1760188057 GZCSHMLNHKKLME-QGZVFWFLSA-N 430.559 1.610 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760234935 XYLJNGGXNRIGAA-HUUCEWRRSA-N 428.459 1.342 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1760252752 VHYWKRZXHQYVGJ-UHFFFAOYSA-N 436.560 1.545 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[S@](=O)CC)CC1 1760255285 XFARMVKYDISZLN-SSEXGKCCSA-N 431.562 1.486 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760321600 IJWIGZARISQBHF-OWSLCNJRSA-N 439.582 1.281 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnnn2C)C1 1760537913 TXNSZEWOYYGLIG-KRWDZBQOSA-N 425.493 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(CC)C1 1760549022 VCLVCUMPCBRBSW-HXUWFJFHSA-N 448.549 1.532 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760677696 TUGFXRVCLZNIFR-FQEVSTJZSA-N 435.532 1.934 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cs1 1762283794 CZUDZJGBFMDUQB-OAHLLOKOSA-N 431.419 1.754 30 10 IDEE Cc1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762613110 VUGWFAIBEPIJKD-QZQOTICOSA-N 427.553 1.814 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCOC1(C)C 1763258347 COUDLAXVBMXJNZ-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnccn1 1766715069 OMMXHRUFQPVNNZ-UHFFFAOYSA-N 440.533 1.573 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768810559 BHTAQMLKUXVQQQ-UNEBPCJRSA-N 437.504 1.263 30 10 IDEE CO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769062571 RTAHIIBQNZZWEG-QBEKEKFNSA-N 437.504 1.406 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1769775108 HELVZXPPHPUDHV-QHCPKHFHSA-N 437.548 1.644 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)CC1 1771360471 ISJCYLYVHSIWMS-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 1849507928 MCMMBKOXIXAYCQ-MRXNPFEDSA-N 426.498 1.644 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)c2cn(C)nn2)CC1 1854430281 VGAYZXWRILTGIF-UHFFFAOYSA-N 429.502 1.666 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1854467909 JSWJPLMVZNLOHR-QGZVFWFLSA-N 425.938 1.740 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 1858422029 KOOWFWAPCJRULW-GOSISDBHSA-N 425.514 1.313 30 10 IDEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870564043 YSBXOHDBERZPIO-JOCHJYFZSA-N 443.931 1.911 30 10 IDEE COC(=O)c1sc(C2=C(N)N(c3ccc(N4CCN(C)CC4)cc3)CC2=O)nc1C 1873531321 MDCONHAENVPYJZ-UHFFFAOYSA-N 427.530 1.707 30 10 IDEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1964764031 PUHAFDUFTQEMQX-KRWDZBQOSA-N 439.520 1.690 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1985006837 JCGPJSBFYZKRDE-XHSDSOJGSA-N 425.526 1.637 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993457217 PECFDBDFUFXFPC-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085656965 OLLLIEHHSCBXKP-HNNXBMFYSA-N 433.314 1.955 30 10 IDEE Cn1cc(Br)c(S(=O)(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)n1 2121895946 KWTHKTNXVAFVME-IAZYJMLFSA-N 432.149 1.895 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532273 JNVDZACBXDPEKZ-CABCVRRESA-N 448.329 1.596 30 10 IDEE CC(C)(C)OC(=O)N1CC(F)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243674146 FXHLKGMZAXSLDM-UHFFFAOYSA-N 428.295 1.157 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243677713 ZHUYMJHNWCAWDY-CYBMUJFWSA-N 426.344 1.549 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247954421 YNKNFFIZOYTNIY-GJZGRUSLSA-N 439.343 1.325 30 10 IDEE C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248413169 SQPYHUKKHPDYMK-WDEREUQCSA-N 444.338 1.697 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C 2253702127 JSPLRHGNUVPSPS-UPJWGTAASA-N 443.360 1.464 30 10 IDEE CCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255607999 GMCOJKAVMVVPCI-CYBMUJFWSA-N 437.350 1.538 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2255618854 KPDRTGKSZYSPOW-CABCVRRESA-N 432.330 1.933 30 10 IDEE Cc1c(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255629733 AFAALJHZOJVMHN-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255815124 JBUXPTMBXCMTKO-HDJSIYSDSA-N 434.346 1.988 30 10 IDEE CON(CCCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255827642 LDRVGOCFTOMXKC-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255861630 CZFFPMLSUKVWQW-UHFFFAOYSA-N 435.330 1.416 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256619948 CHCCCOZBBNXEGX-OAHLLOKOSA-N 436.314 1.819 30 10 IDEE Cn1nc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2267132595 RKDQYJNVTSFXFT-QKDCVEJESA-N 446.357 1.562 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267184927 PMDDJLJCHTWBSN-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267265940 MANCSLBZJWQDKC-OCCSQVGLSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2267275277 MBFUCKHWCRHDTF-KRWDZBQOSA-N 447.341 1.747 30 10 IDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267504672 VXFJZEHLIJXDLP-KBPBESRZSA-N 446.357 1.657 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267507118 IXEIITKYWGKEGB-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC2(C1)OCCO2 2282871711 LANFSYNTZILYMC-UHFFFAOYSA-N 425.312 1.132 30 10 IDEE CC(Cl)=CCn1c(NN=C2C(=O)Nc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C 2297510302 URHLRTGWALYJOL-UHFFFAOYSA-N 427.852 1.345 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2312974582 YKBRJQBEPRPCOF-LVQVYYBASA-N 438.330 1.164 30 10 IDEE Cc1cc(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320561656 OAQLPPFUOVUXHJ-KRWDZBQOSA-N 434.342 1.796 30 10 IDEE CCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1OCC 2330747615 RDVRXMJYQYAFLF-UHFFFAOYSA-N 448.549 1.951 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2334270600 BFMBDSGWHBJLBE-IJEWVQPXSA-N 446.357 1.847 30 10 IDEE C=CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NC(C)(C)C)CC2)C1=O 4630940 DTRXXAPDSPMOLK-UHFFFAOYSA-N 427.549 1.938 30 10 IDEE CC(C)CN(C(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 23257570 MEQOJOSMDZZGGA-NRFANRHFSA-N 432.590 1.348 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)CC1 23266237 XJHAESHAVKQODI-XMMPIXPASA-N 444.576 1.581 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(N3CCC(C(N)=O)CC3)=NC(O)=C2[C@@H]1c1c[nH]c2ccccc12 72443878 LGXLTPUOFKPVSP-CJNGLKHVSA-N 431.456 1.256 30 10 IDEE CN1/C(=C/C(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C(C)(C)c2ccccc21 207298630 HQNXQHUFJYRFBO-LTGZKZEYSA-N 448.589 1.062 30 10 IDEE C=CCNC(=O)CN1CCN(CCS(=O)(=O)c2cccc(Br)c2)CC1 430046238 MUYKHDYDGFYOBK-UHFFFAOYSA-N 430.368 1.143 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 437045542 KJBDFEUONCRLMF-WDYCEAGBSA-N 436.530 1.675 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CC3)c2=O)c1 478854096 YDVMRBZGTPUMNF-AWEZNQCLSA-N 425.510 1.456 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3OCC(=O)N3CCOCC3)cc2C1=O 481210063 PLDDQOJRTNSTIY-UHFFFAOYSA-N 449.463 1.959 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1C#N 489247637 DVASVHPKAVVBAN-IBGZPJMESA-N 440.573 1.880 30 10 IDEE Cn1c(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c(C#N)c(=O)n(C)c1=O 500873287 WIOFPVBBKSVSEM-AWEZNQCLSA-N 425.493 1.191 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)CS(=O)(=O)c3cccs3)cc2C1=O 502098953 KLGIHMFQTKGXMP-CYBMUJFWSA-N 434.495 1.095 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(Cl)c1 503819546 PRQDUYYIJJNTBR-UHFFFAOYSA-N 437.930 1.977 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCC[C@H]3CN3CCOCC3)C2=O)cc1 508642619 XLNAFSLLQJADNX-LEWJYISDSA-N 425.533 1.950 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 508867421 PVHBBABWWUALMP-GOSISDBHSA-N 427.461 1.243 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C1CCN(c2oc(C)nc2C#N)CC1 530287961 MULNRHORSHXFDR-QBPKDAKJSA-N 430.461 1.023 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1Cc1ccon1 532195731 RNBULBDPSYVPIU-UHFFFAOYSA-N 449.488 1.590 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 536793046 UHVPSHFHZQTAAE-CQSZACIVSA-N 447.517 1.966 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CCOCC 562583069 TXCLCAGGZPEFLV-UHFFFAOYSA-N 446.479 1.125 30 10 IDEE N#CCCn1ccc(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)n1 565980836 HPUICJBWJFEWGC-PAADORIXSA-N 441.491 2.215 30 10 IDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 575896984 BFUAOHPYBLIAHJ-UHFFFAOYSA-N 428.518 1.235 30 10 IDEE CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(c2ncccc2C#N)CC1 584244281 BUYHOLUDXGKBIK-UHFFFAOYSA-N 441.499 1.805 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@H]1CCCO1 590914587 BTEZLOUUVOEMQG-GOSISDBHSA-N 448.548 1.666 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 590973044 NGZJHUXSUKNPIY-CQSZACIVSA-N 438.484 1.087 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)C1=O 600355168 LYRFRVUFFOYMLO-UHFFFAOYSA-N 439.497 1.888 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C[C@H](C)O1 609669311 IHKPDVDSIZRZOE-STQMWFEESA-N 433.456 1.448 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 726873747 YWZPRMQQEXJSCJ-IRXDYDNUSA-N 433.528 1.891 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730141745 KWFPKHOXKSAKOC-FUHWJXTLSA-N 447.605 1.827 30 10 IDEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730144100 XILWPZOOGGXXDZ-GOSISDBHSA-N 445.589 1.581 30 10 IDEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732670750 XQWLWZQGOSCZAQ-LBPRGKRZSA-N 448.364 1.213 30 10 IDEE C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 741514565 BVDIPIDPGFDRKX-UHFFFAOYSA-N 429.454 1.754 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751678798 LPCYKJXPNWDBMF-QZTJIDSGSA-N 447.561 1.433 30 10 IDEE COC(=O)[C@@]1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCN(Cc2ccccc2)C1 755776040 FFBMGFWPKGJACW-BDIWWCJBSA-N 440.500 1.227 30 10 IDEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cnc(Cl)c1Br 759373283 AFRWTHVOIMPJNG-LLVKDONJSA-N 426.702 1.943 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 760771671 FOZYRAIKFFQFEZ-JOCHJYFZSA-N 436.447 1.208 30 10 IDEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCc2nnnn2CC2CCOCC2)cc1 766113031 IPDSJWBWYKIRBB-UHFFFAOYSA-N 445.524 1.962 30 10 IDEE COc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)c12 778209487 OUTPPAAKSMKAEQ-UHFFFAOYSA-N 443.467 1.985 30 10 IDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2C1 782689174 CZPYGAGWFQOASK-UHFFFAOYSA-N 437.504 1.932 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n1 790104448 BCSVWKVZASARDP-UHFFFAOYSA-N 438.532 1.015 30 10 IDEE C=CCOCCCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 795396016 QOCCXZKKSNHESP-UHFFFAOYSA-N 425.503 1.994 30 10 IDEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2cnn(C)n2)C1=O 807938962 KKKXWDXSLASXTQ-OAHLLOKOSA-N 435.579 1.466 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCCN(C)S(C)(=O)=O)C1=O 915116926 SMXWPKDSXDGMLX-HNNXBMFYSA-N 426.564 1.344 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCCN(C)S(C)(=O)=O)C1=O 915116927 SMXWPKDSXDGMLX-OAHLLOKOSA-N 426.564 1.344 30 10 IDEE Cn1c(NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 917084582 UAUBHGOAWIJEIP-UHFFFAOYSA-N 428.493 1.590 30 10 IDEE COC(=O)CCS(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918161289 AZNNBWUPWXFUBK-MNDPQUGUSA-N 431.536 1.584 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)cc1 1083999876 UUISKGKLDIASHF-UHFFFAOYSA-N 447.502 1.335 30 10 IDEE N#CCc1ccc(Oc2ccc(C(=O)NC3(C(N)=O)CCS(=O)(=O)CC3)cc2)cc1 1132752706 BCQVDOOPNSEGEQ-UHFFFAOYSA-N 427.482 1.707 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nnnn3CC2)cc1 1141966432 DBLVYPDUMDHECX-AZCDHQAESA-N 445.549 1.857 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3ccccc3)CN(C(=O)OC(C)(C)C)C2)C1=O 1153043146 ZWCNAKVQQJNWNA-UHFFFAOYSA-N 442.472 1.226 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 1165508139 LYFLXINEXQJRID-UHFFFAOYSA-N 426.448 1.963 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCc2cccc(Cl)c2)c1=O 1166614238 GEYWGYWSSFJPFT-UHFFFAOYSA-N 432.864 1.193 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1Cc2cnccc2NC1=O 1176659475 TUAAIEAGBHFNAB-IRXDYDNUSA-N 441.513 1.214 30 10 IDEE N#Cc1ccc([C@H]2CN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CCO2)cc1 1198219667 RBGBNKDBOLWSJX-GOSISDBHSA-N 425.489 1.608 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)Cc1ccc(F)cc1C 1230371134 WGECXXVNTXYDLE-LJQANCHMSA-N 438.507 1.837 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1286274114 LYYBIIBQIHRYAG-XFNCPJSQSA-N 437.591 1.273 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1286420142 MLTYYMKDEMZYOB-ZDUSSCGKSA-N 437.513 1.647 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286536008 HQFGCBYXJJSDKF-GFCCVEGCSA-N 427.328 1.657 30 10 IDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286545392 WXKATTJQRDBGAU-HUUCEWRRSA-N 436.310 1.533 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1ccc(F)cc1 1286765362 CXNPJVFKIYMOSD-UHFFFAOYSA-N 430.484 1.931 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1286825005 KUYRIWUFENEBQN-UHFFFAOYSA-N 447.609 1.817 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 1290013581 XCCAEYUSCIGTSI-UHFFFAOYSA-N 427.548 1.662 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1291802455 CBNGPUIUASVXKU-DOTOQJQBSA-N 442.520 1.996 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CCCC1 1293111337 PSXZEIMPIJIRHG-UHFFFAOYSA-N 443.577 1.791 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300484748 RXHIYCIORZKCFQ-SJORKVTESA-N 437.566 1.613 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300497150 XPEVAFMBZAYLHS-QRVBRYPASA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300497972 FMPKXAVWBHZLGX-IBGZPJMESA-N 430.578 1.231 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1300996376 FSRNDYFORHSJDB-UHFFFAOYSA-N 439.582 1.397 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1301499096 XFGZMILJEXFNFC-WBVHZDCISA-N 443.577 1.476 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1301596805 ZGGFSFPAFXPAQH-QGZVFWFLSA-N 425.555 1.178 30 10 IDEE CC(C)N1CCC(O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1303301566 KAEUSBZFDDLTEQ-KRWDZBQOSA-N 445.955 1.958 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1303651661 CRCVPIQZMCFUHY-BBRMVZONSA-N 434.447 1.853 30 10 IDEE CCC(O)(CC)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1305852915 DAKNIAKIKBRRAW-UHFFFAOYSA-N 435.536 1.823 30 10 IDEE CCCN(C)C[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1306783765 OYXBMJLERBPXFK-QQMHEVNUSA-N 427.553 1.850 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1314561406 BXFMPXOLSCKGSV-INIZCTEOSA-N 448.549 1.283 30 10 IDEE CS(=O)(=O)CCCCCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316345918 WOLWGDSBWRJAEQ-UHFFFAOYSA-N 443.577 1.964 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1 1317794168 CLFSCBDNYWQSGN-INIZCTEOSA-N 445.497 1.852 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1355595206 IZRBPPIMLMDBMU-KSWRQPAISA-N 430.505 1.497 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1356279482 YWSYKSLOVLUORK-HOTGVXAUSA-N 427.509 1.973 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1358952765 XCWGJLGKZYJKAL-UHFFFAOYSA-N 426.496 1.494 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358962303 NMWVKRDPDMRFCR-STQMWFEESA-N 447.483 1.444 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1359133769 YZUPMLXISSRSDS-GOSISDBHSA-N 439.582 1.125 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359215755 ITRBCHTWPQVMCE-WMZOPIPTSA-N 434.566 1.941 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCS1(=O)=O 1359273477 BULGEEGIBJCWJN-UHFFFAOYSA-N 441.561 1.731 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359295721 LSRNYRKBGYEJJP-CQSZACIVSA-N 447.902 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCC)C1 1359334531 JBTDHACZMKPRJN-SFHVURJKSA-N 436.582 1.746 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)s1 1444954732 MCKAIXAFKBGVQM-GOSISDBHSA-N 441.962 1.925 30 10 IDEE COc1ccccc1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1453918439 GWNWGDYTBYFVND-UHFFFAOYSA-N 445.472 1.730 30 10 IDEE C[C@@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CN(Cc2ccccc2)C[C@H]1c1ccccc1 1456541602 DWEUFRGVHLCEFX-SQJMNOBHSA-N 443.507 1.995 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)n1 1467714539 BQUHKODOHKKSBV-MWQQHZPXSA-N 436.434 1.850 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 1468536854 FUQUHVGYDINXMI-OAQYLSRUSA-N 435.484 1.639 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OCC)nn3)CC2)cc1 1470402721 HWIPEQJWYRCFHM-UHFFFAOYSA-N 431.518 1.302 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNC(=O)C1CCC1 1499164013 FVNFEHSDSATKMA-MRXNPFEDSA-N 437.552 1.524 30 10 IDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1503930643 MAODENVYWKCNEP-KDOFPFPSSA-N 437.504 1.618 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1504966262 VWLGYFFPURRBKT-MIKJEETESA-N 432.525 1.763 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1504966265 VWLGYFFPURRBKT-WBLQZWKMSA-N 432.525 1.763 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507630867 JCLDTJDITHNOKM-QGZVFWFLSA-N 431.562 1.985 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507632187 JOHJGUSJXCGCDQ-GDBMZVCRSA-N 433.559 1.274 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507636118 ZDRPZTXHJUGBFD-PMACEKPBSA-N 442.589 1.232 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507636563 AKPHTNYPAATFHM-IEBWSBKVSA-N 430.530 1.813 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507982594 NHSLGZXJQGVRSC-YESZJQIVSA-N 425.599 1.690 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1508152228 JZPSRGODRIPVBR-ZBFHGGJFSA-N 439.611 1.883 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1515856844 HCWXGWZPSSISER-MOPGFXCFSA-N 428.562 1.924 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1539015416 PYZULJYJRYFYLM-SJLPKXTDSA-N 428.562 1.682 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1539016756 VKSQTYFBRPQEKT-RTBURBONSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539231394 RSWBBNBBEIUUKH-RTBURBONSA-N 429.546 1.702 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(N)=O)c1 1539361769 DOLCLUWHRIRYOW-UHFFFAOYSA-N 436.472 1.378 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2sc(C)nc2C)CC1 1539462054 BGFCIULDTPVJGK-HKUYNNGSSA-N 430.578 1.879 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539758192 JAUNKBBXMUOWPJ-OAQYLSRUSA-N 444.561 1.721 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(C#N)C1 1540906888 FWSMLQHGLWJPSF-FQEVSTJZSA-N 431.566 1.871 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cncn2)C1 1541987579 BMAHVKJOVIACGG-FQEVSTJZSA-N 440.533 1.770 30 10 IDEE C=CCCn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nn1 1542480756 GXZVMLLCVZNACL-UHFFFAOYSA-N 447.517 1.162 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)c1 1542685885 AJUDRKLNMRZYKY-CTNGQTDRSA-N 440.548 1.863 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1542841870 KKNORWJMLAHYKI-UHFFFAOYSA-N 441.381 1.674 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554308347 RYIARPWCEVLCDC-UFOSLELVSA-N 445.524 1.007 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCc1cccc(C(N)=O)c1 1555728971 YFQSLYFBURTYKL-MNEFBYGVSA-N 426.521 1.940 30 10 IDEE C=CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(=O)OCC 1556153991 OQQNYJIRNUCEMW-CQSZACIVSA-N 430.548 1.379 30 10 IDEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1(S(C)(=O)=O)CC1 1568907974 DWHYAXQAAFJYSL-PPXVZNSRSA-N 425.551 1.855 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1587989036 FLIYRQBRVUUEHF-VQTJNVASSA-N 443.573 1.151 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1588053979 JKCUPBHOXPWSKJ-VQTJNVASSA-N 444.557 1.687 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1588128506 MUYIGZGNKCPTRT-JOCHJYFZSA-N 446.555 1.825 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1588768215 BQYNIBWPWCWPHL-QHCPKHFHSA-N 447.587 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ncn(C)n2)CC1 1588913529 LSLHNRXFFFZENY-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1589070230 QWPJZKQLZWIZCD-MSOLQXFVSA-N 438.619 1.800 30 10 IDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O)C1CC1 1595026705 QKBIQGQIJUVJRJ-HXUWFJFHSA-N 439.582 1.509 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1595219752 XNKYPAWPBMBAQE-IRXDYDNUSA-N 441.598 1.851 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 1611788404 DRAMSHJSLFCGQT-STQMWFEESA-N 427.458 1.082 30 10 IDEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1612748486 CSJJUXBRAMEPCV-HRAATJIYSA-N 444.561 1.449 30 10 IDEE CCCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1614585155 UNVAYPIREPXRMQ-ROUUACIJSA-N 440.552 1.975 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1619834393 IIOJZQOUTNKPGL-NRFANRHFSA-N 439.564 1.890 30 10 IDEE COCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1620077442 QQRYJUHPVRJIIJ-SFHVURJKSA-N 426.521 1.793 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1 1628146506 IESIARDLADIHBP-XMMPIXPASA-N 444.535 1.667 30 10 IDEE CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1628924307 MOWLWQCLHUCYJZ-UHFFFAOYSA-N 439.490 1.102 30 10 IDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccc(C(=O)NO)cc1 1635200760 NQEZUYOWHNCAME-PBHICJAKSA-N 434.537 1.648 30 10 IDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1=O 1635416025 YDKSHTAWYHIHTG-KRWDZBQOSA-N 432.484 1.553 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC)[C@@H](O)C(F)F)nnc12 1638767405 XQZXGDQAKXENHG-SWLSCSKDSA-N 437.472 1.843 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 1641690176 NNHMWQDQIFBGNV-UHFFFAOYSA-N 444.488 1.284 30 10 IDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)C1CCOCC1 1641857665 GCLFJLQJROUTHD-IRXDYDNUSA-N 440.587 1.832 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 1642121150 IAIGTMBLLJHDSW-UHFFFAOYSA-N 442.493 1.966 30 10 IDEE C#CCC1(O)CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1644429311 TWMJMQPUUUBXPQ-UHFFFAOYSA-N 435.727 1.740 30 10 IDEE CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCN(CC(F)(F)F)C1 1647879249 FVSAUXORMQIEEF-HNNXBMFYSA-N 432.468 1.896 30 10 IDEE Cn1c(N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1652051726 IAZGGDOLLJRWHQ-AAEUAGOBSA-N 445.442 1.485 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C(=O)OC)s3)CC2)c1 1655563836 AADACALLEOMYHB-UHFFFAOYSA-N 449.554 1.961 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3cnc(Br)cn3)C2=O)cc1 1672352868 KVFKPBMWAYHFMY-HNNXBMFYSA-N 429.278 1.711 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cc1 1679943738 AUDVNMGFBOKNQS-HDMKZQKVSA-N 443.504 1.859 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1689993984 ORDTZQNAZFSEKQ-LJQANCHMSA-N 428.558 1.727 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690007889 MYUNPXWEQDOPIQ-HSZRJFAPSA-N 440.569 1.865 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690184773 OLVNVPNOWJZFHE-UHFFFAOYSA-N 447.536 1.658 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690228883 HSZFUQUMMDBLKH-CVEARBPZSA-N 426.359 1.849 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2)C1 1690670964 MNWGCSHFAGGKAC-ZWKOTPCHSA-N 429.546 1.476 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C#N)C1 1690677447 WZPBWFFZBFMOIO-MRXNPFEDSA-N 426.477 1.287 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1690973275 ZLSXMEPVYIQCIU-UHFFFAOYSA-N 430.534 1.356 30 10 IDEE CC(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690980912 CDDDCCPLNDHJQJ-GOSISDBHSA-N 428.566 1.337 30 10 IDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1692876217 DDDPNTLFVRCOHX-KDOFPFPSSA-N 426.518 1.243 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1696687915 DDXDXOHGQAGAFZ-NRFANRHFSA-N 438.513 1.398 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2ccco2)C1 1698312457 HUEVFONJAWJANT-KRWDZBQOSA-N 434.522 1.382 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCSCCCO)c1 1698486472 YVATULTURHXLNS-MSOLQXFVSA-N 442.545 1.867 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705482213 UZAJQYNSAOBROL-DOMZBBRYSA-N 432.431 1.993 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705518637 OLIRICUSYBMRHN-LJQANCHMSA-N 430.578 1.833 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1705551058 FRQGQWHKWRGDSF-INIZCTEOSA-N 432.525 1.182 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705561927 WZEDOQPUDVWQSY-GJZGRUSLSA-N 435.516 1.912 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)c(F)c2)CC1 1705638665 RWUCLPAIOBTQFF-GOSISDBHSA-N 426.496 1.375 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705647446 FDNIZOPLXPYHPI-XUVXKRRUSA-N 445.564 1.189 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(OC)CCOC2)CC1 1705650435 QUDSVDBSNLJZIP-HSZRJFAPSA-N 438.532 1.035 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705663502 KECPCJAPMUYDAV-MRXNPFEDSA-N 439.632 1.815 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@H]1C 1705835255 FGVPPCBIACNUCJ-YWZLYKJASA-N 434.566 1.709 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1705904539 RGLBBKWRZUOVCI-HZPDHXFCSA-N 447.540 1.627 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1C(C)(C)C 1705909326 TZBUGXPCLNCRKH-GOSISDBHSA-N 445.612 1.401 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)C1 1706933353 CETMJORMZJRSOH-KRXQYRFLSA-N 426.518 1.272 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(F)cc2)CCO1 1712885106 YWKZODCGTMWGOJ-YJBOKZPZSA-N 449.508 1.517 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722306286 HLBIJZBCBZXTRH-SFHVURJKSA-N 441.580 1.107 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1722316610 KGWHDUYWSYUFST-IRXDYDNUSA-N 425.555 1.030 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1722342263 NCPFALTVYYUYCC-MRXNPFEDSA-N 449.964 1.756 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1722359245 RDYAZWHXMRISGT-INIZCTEOSA-N 435.575 1.461 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1722360950 CTVODKZXURQVFV-SFHVURJKSA-N 441.513 1.925 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2OCCC2(C)C)CC1 1722441897 UJAFXDWGIPSVDN-GOSISDBHSA-N 442.589 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1722448925 IPYNYHSLVCZRSG-NQIIRXRSSA-N 436.560 1.902 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1722628907 CEFGFFMRAMOXNA-GOSISDBHSA-N 441.598 1.974 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1722650869 NCEVARUIQDYWBD-GJZGRUSLSA-N 447.508 1.190 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722693393 MGVFRUITZMCDQF-QGZVFWFLSA-N 426.521 1.561 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)C1 1722722922 ULYNZBYTQCYVGP-SFHVURJKSA-N 432.550 1.081 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1722729000 VLRDSHKPDCEKSB-KRWDZBQOSA-N 435.594 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](CC)C1 1722730423 RBIYHBQGQQIRAV-JKSUJKDBSA-N 425.555 1.005 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722749149 FBDMRVQMDNVGTM-HNNXBMFYSA-N 428.518 1.084 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722940341 XYRAHZZBOIIIRG-QIEZACGCSA-N 441.536 1.252 30 10 IDEE CC(C)NC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1723658936 RLEMBLSROCCBKY-XOMICKMZSA-N 443.552 1.275 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1740671697 MMKDPMMZAKPECG-HOTGVXAUSA-N 427.571 1.132 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCSCC2)CC1 1740706694 ZPFPWGWUSJZZME-LJQANCHMSA-N 446.621 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(O)CCc3ccccc32)CC1 1740707694 MLKVCFYHXLOKBH-XMMPIXPASA-N 437.544 1.614 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N(C)C)CC1 1740707936 VXOZGMSGSPNWLE-IEBWSBKVSA-N 444.580 1.251 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1740957322 JQMWPUUGBIZSCN-QGZVFWFLSA-N 427.553 1.719 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)C1 1740958993 ICCUMLUSXOZIMK-CQSZACIVSA-N 449.606 1.482 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(C)c2)CC1 1740963141 ANTGWURXRNRASY-UHFFFAOYSA-N 437.548 1.338 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCOCC2)C1 1740971009 SMWIMQGLVAUZKB-ROUUACIJSA-N 441.536 1.427 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1741802384 HVBPGJPOOUXPDV-KBPBESRZSA-N 434.497 1.696 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)n1 1742705674 MNMXDKBMZQQOMI-GOSISDBHSA-N 443.533 1.666 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCc1ccco1 1744697185 KDXVHTWPBPOHJJ-OAHLLOKOSA-N 435.492 1.127 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1746408010 DUIQICOWQAYIKD-OALUTQOASA-N 428.562 1.924 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1748667484 VDVXMUFADUYCLT-BBWFWOEESA-N 428.562 1.822 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1748671210 GYGQDEJELDBQCS-HOTGVXAUSA-N 434.541 1.569 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748812368 UHXZKNQKDKNFIX-VGOFRKELSA-N 443.573 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1748869171 WXPYOAWDUCAHOL-LJQANCHMSA-N 427.471 1.887 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)n(C)c1=O 1748925295 GSBKHKWASCGXQH-UHFFFAOYSA-N 446.559 1.967 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748962884 SYQOCSDFXUUNMB-ZWKOTPCHSA-N 440.552 1.369 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1749045081 ZTTVBIQJQHVEFC-UHFFFAOYSA-N 443.577 1.386 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1749235499 RQQKSISVNXZCIP-UHFFFAOYSA-N 430.553 1.442 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749246577 FPNLVXAZLXPHFW-UHFFFAOYSA-N 437.976 1.303 30 10 IDEE COCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749611183 FUTGTFNIDTWOMA-NQIIRXRSSA-N 445.593 1.598 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1749684149 RKFMZEQTMOYFAA-LJQANCHMSA-N 441.532 1.690 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1749685465 GGHMEMLLVUKNBW-QGZVFWFLSA-N 438.532 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](COC)C1 1749736450 JGCASUPOWBMZSE-QGZVFWFLSA-N 444.561 1.590 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1749824423 HDUQVPWNOKNEJL-UHFFFAOYSA-N 443.464 1.079 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1760097226 BWCCTHGSEWREMA-NWDGAFQWSA-N 444.359 1.005 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190806 ZROOEJNCBDNSNI-HZPDHXFCSA-N 446.602 1.894 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1760250025 ALYYVLQKKLPQRC-LJQANCHMSA-N 437.548 1.323 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CSCCS2)CC1 1760261058 JSQBHHDCTJUWNO-GOSISDBHSA-N 431.635 1.744 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnn(C)c2)CC1 1760270340 PGMVKTAXESJNNO-UHFFFAOYSA-N 447.543 1.625 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1760290693 NGKMGQKULQCALT-IOMROCGXSA-N 436.578 1.890 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1760329314 WYUAQXZQJRFSHG-MRXNPFEDSA-N 447.565 1.752 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1760412746 QJKMOGUWXJEOTA-HZPDHXFCSA-N 427.571 1.438 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1762409969 PQWDALVANRIMHE-CVEARBPZSA-N 445.549 1.911 30 10 IDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)OC 1764230289 FFRVVPPMRFTAST-ZWKOTPCHSA-N 437.504 1.714 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766255244 DEYZTVHMQYQTCU-INIZCTEOSA-N 441.511 1.646 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1769119870 GPLNOCOSGIRYPL-VAXLRMBSSA-N 430.509 1.517 30 10 IDEE N#Cc1c(NC(=O)[C@H]2CN3CCN2CC3)n(CCc2ccccc2)c(=O)c2cccnc12 1852578815 AQSUGWCARHTSSH-HXUWFJFHSA-N 428.496 1.449 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCN(S(C)(=O)=O)[C@@H](C)C3)CCC2=O)cc1C#N 1854251469 PPWHTOGHRONUNC-DLBZAZTESA-N 432.546 1.211 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCOC3)C2)CC1 1855452690 QACVJTIVEZKPGP-ROUUACIJSA-N 431.514 1.371 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1 1855713281 YYDWAAIQCBWGJM-WBVHZDCISA-N 436.509 1.199 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCCO3)C(=O)C23CCCC3)cc1 1856297727 GCYNNKLSYIPVAP-KRWDZBQOSA-N 431.514 1.800 30 10 IDEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C(=O)C2)C1 1856854387 FACVLIIMVMWEAO-HNNXBMFYSA-N 445.328 1.205 30 10 IDEE C=CCCN(C)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 1857491070 YAAOQWLTXXGAGZ-INIZCTEOSA-N 425.576 1.784 30 10 IDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863790386 CYIKGAAGECLPPO-UHFFFAOYSA-N 429.473 1.837 30 10 IDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1OC 1874238093 QKELGJFYZXPFEZ-LSHDLFTRSA-N 443.485 1.757 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637414 LANUNBPGUVKHCF-QEJZJMRPSA-N 430.314 1.970 30 10 IDEE Cc1cnc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255658919 KYXNFKMFUOTTMN-AWEZNQCLSA-N 435.330 1.305 30 10 IDEE Cc1c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829421 OWLKXBVUXJVIDC-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256628731 MBGVJYHXDJMTAH-GJZGRUSLSA-N 435.330 1.558 30 10 IDEE Cc1nc(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256665492 MFOGSDPLQZKQNP-AWEZNQCLSA-N 436.318 1.298 30 10 IDEE Cn1ncc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2267008397 FLGUKJDKXOZRSA-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267094630 IOCZKURDLQDUBW-GJZGRUSLSA-N 448.329 1.169 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267265835 LCOLAGKTCINDSB-IRXDYDNUSA-N 447.341 1.745 30 10 IDEE CO[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267477543 MRURMYBTKHKTEZ-IRXDYDNUSA-N 447.341 1.745 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267596001 HQGCNOVOSLMGLE-UONOGXRCSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267597085 SYDNCWJXYWSILF-MRXNPFEDSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268635441 QYVVZRKUCGCQAT-UHFFFAOYSA-N 447.341 1.243 30 10 IDEE N#Cc1ccc2c(c1)CCN2S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286040501 KKMHDSULDZEDCD-QGZVFWFLSA-N 429.454 1.630 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330742645 KJBKWGBQSXWKNO-UHFFFAOYSA-N 435.466 1.029 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2nc(O)ccc2Br)CCN1Cc1ccccc1 2342441585 HEXDDSAMVNVPNU-AWEZNQCLSA-N 437.319 1.948 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N(CCC#N)c1ccccc1)C2=O 10055656 MJKDLSXHZGNKEP-UHFFFAOYSA-N 426.473 1.977 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 20806034 QYGVEWFRDTVGEZ-FSJBWODESA-N 439.501 1.633 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCC[C@@H](C(=O)OCC)C3)cc2C1=O 22067477 MPISOPUXUWMKMK-GDBMZVCRSA-N 442.468 1.816 30 10 IDEE COc1ccc(CCN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254818038 BDHNMUGIIQKEOJ-HUUCEWRRSA-N 426.516 1.200 30 10 IDEE N#CC1CCC(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 440984281 KPMRTXMLGWSRSE-ACBHZAAOSA-N 427.553 1.911 30 10 IDEE O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476799011 BNNMLULCRNBQID-JOCHJYFZSA-N 431.492 1.921 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 480104971 KLQIUPLIVUGIPA-INIZCTEOSA-N 447.561 1.412 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H](C4CC4)C3)nnc12 485507122 QKHZSQVJOBOLQE-QGZVFWFLSA-N 425.514 1.960 30 10 IDEE CCc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 513852752 MEASFZXKJPHVLE-UHFFFAOYSA-N 448.527 1.270 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cs1 516374015 CBCKJGDOKAQREM-HNNXBMFYSA-N 444.582 1.233 30 10 IDEE C[C@H](C#N)CN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C1CC1 535109393 DWLOEOXSCTUMJG-OAHLLOKOSA-N 435.550 1.929 30 10 IDEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 549738642 VQTZMEXLUSONGD-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ncccc3C)n2C[C@@H]2CCOC2)CC1 559241949 PHRDJVDACKZHIW-SFHVURJKSA-N 425.537 1.109 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCc3c(F)ccc(F)c32)CC1 576651843 LYKCWQWPDIEAAO-UHFFFAOYSA-N 446.479 1.732 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1F 590915606 MGLFFNFJTAKCPO-OAHLLOKOSA-N 445.516 1.264 30 10 IDEE Cc1nc(=NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)n(-c2ccc(C#N)cc2)[nH]1 610114952 JDYCQXONXPDLRK-LBPRGKRZSA-N 428.449 1.314 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669813172 BQYKHYFIDHOHNN-IEBWSBKVSA-N 429.569 1.079 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670206957 TZAXZJWCGLEMDE-UWJYYQICSA-N 440.596 1.705 30 10 IDEE COc1cc(C)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1OC 756584274 TYTDNJKOUXRWCZ-UHFFFAOYSA-N 428.445 1.686 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)N(C)CCC4)cc2C1=O 758010993 YCEXMDKTIUJKRW-UHFFFAOYSA-N 439.493 1.970 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758428114 SDEGBYTZOHWYMF-ZDUSSCGKSA-N 427.479 1.817 30 10 IDEE C#CCN(C(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@H]1CCS(=O)(=O)C1 774172183 MJZFWIBKVBYVLR-SFHVURJKSA-N 429.498 1.542 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 780856351 PTBRAWQCMJRBNP-MRXNPFEDSA-N 425.919 1.840 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@](C)(O)Cn2ccccc2=O)nc1C 790518746 UDDPJCIUPCREIW-GOSISDBHSA-N 432.531 1.736 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnc2F)cn1 794441701 QCSKIVJUQANFOK-MRXNPFEDSA-N 447.540 1.637 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 802474123 HGWVBKIONVEQMG-UNEBPCJRSA-N 425.489 1.046 30 10 IDEE C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 810530760 GASBOFLQUOBOQA-JRINFJIASA-N 429.476 1.477 30 10 IDEE CCOc1ccc(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)cc1 916179175 QDNJLEQEABCTGD-QGZVFWFLSA-N 427.482 1.956 30 10 IDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 1118911458 ZTBNRSKJXCMPGK-LBPRGKRZSA-N 427.324 1.170 30 10 IDEE C[C@H](CC(=O)Nc1ccc(N2CCNC2=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1135909050 ZSGBTBMRCBSBBV-CYBMUJFWSA-N 427.486 1.672 30 10 IDEE C[C@]1(c2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cc2)NC(=O)NC1=O 1161802030 GVYLLYJZBQDUPU-JOCHJYFZSA-N 436.424 1.259 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCCCCCS(N)(=O)=O)CC3)n[nH]2)cc1 1165559616 QBTLJJIHSYHPDC-UHFFFAOYSA-N 444.561 1.836 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C2=Cc3cc(F)cc(Cl)c3OC2)CC1 1187353299 GQZHHMFKYZMFAL-UHFFFAOYSA-N 441.912 1.299 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCOC)C[C@H](O)C(F)(F)F)cc1 1198250388 CRLSWDDRHOEPGS-HNNXBMFYSA-N 439.456 1.897 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CN1C(=O)OC(C)(C)C 1253920107 HYXWBKROKGZEBF-GJRWTSMGSA-N 426.539 1.354 30 10 IDEE C[C@H]1CN([C@H](C)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 1277542500 TYMPIGASFYDODK-KURKYZTESA-N 448.589 1.573 30 10 IDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286325657 XYTREXLZJQOSHP-LJQANCHMSA-N 442.564 1.594 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286387183 BEOXGVVMNTXSSZ-ICSRJNTNSA-N 439.541 1.870 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2nc(C)no2)CC1 1286473965 ZESPYCMKLGOMKC-NRFANRHFSA-N 429.525 1.010 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1286491434 RRIWHTUDALKFNW-SFHVURJKSA-N 432.569 1.967 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286505450 AALUHQGXHAFMAP-UHFFFAOYSA-N 427.578 1.664 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CN1CCOCC1 1286515944 UGOVDVBSXCYFQH-PTUXOGIPSA-N 431.581 1.891 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(-n2cccn2)c1 1286765843 KNOWTIVEHLVNTG-UHFFFAOYSA-N 436.520 1.782 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286784372 GAPDKDYCSVVUNS-HXUWFJFHSA-N 449.964 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)CCN1CCOC(C)(C)C1 1286784874 WSWPBTUCIOHJCF-UHFFFAOYSA-N 430.528 1.933 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1287271819 WNPXJHYBOMBOKZ-MODMUFLJSA-N 441.536 1.409 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCS(C)(=O)=O)CCOC1 1288299436 AZPGLKJUSOJJKZ-FQEVSTJZSA-N 439.582 1.883 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)n1 1290646215 GWWTWPOJLCZXSQ-UXHICEINSA-N 442.568 1.225 30 10 IDEE C=CC(=O)N1CCC(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)(c2ccccc2)CC1 1296472744 XAQVBJUPOXILHR-UHFFFAOYSA-N 446.555 1.995 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1298013533 PLXVIMHKUCBPDR-HXUWFJFHSA-N 435.532 1.372 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1298326830 AWLUOJFJURZFDI-IBGZPJMESA-N 437.548 1.848 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1300345144 PWWQIUIIWTZLKB-GOSISDBHSA-N 429.546 1.867 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1300380863 JSDDZJJPCZYKRM-MSOLQXFVSA-N 433.582 1.957 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1300386965 XIZCGCKICHSDBB-AWEZNQCLSA-N 432.326 1.673 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300482815 HHOQAPOUAYWYJK-JKSUJKDBSA-N 433.534 1.441 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1300578266 KETQZHXWSQEUKW-PMACEKPBSA-N 447.605 1.144 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)CC1 1300751611 MOASQEVLMGOLPW-UHFFFAOYSA-N 427.530 1.751 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300896362 DNTDEXWGJVKKJA-VPKVUBIPSA-N 446.552 1.610 30 10 IDEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1301320544 HQXWLNGRIAYVGE-NRFANRHFSA-N 448.545 1.667 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1nccs1 1301499649 CXVXICQJPJQUKE-KBPBESRZSA-N 438.579 1.179 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301510476 YGUZUZVRZBGDLL-KRWDZBQOSA-N 426.521 1.259 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](NC3CCOCC3)C2)ccc1F 1303180218 KRJIBBOJUIGGLN-QGZVFWFLSA-N 425.526 1.663 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)c1 1303941781 LRIDOUQTUGXFTH-WDSOQIARSA-N 434.514 1.171 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cs1 1304670991 UAZKBRSUXUTLRD-FQEVSTJZSA-N 439.549 1.917 30 10 IDEE Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304813841 PSERUVVDRFLIOI-QBEKEKFNSA-N 449.515 1.602 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cn2ccsc2n1 1305790034 HFYGZSMWQOXINY-OAHLLOKOSA-N 428.522 1.683 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1306505016 HFRVWIZQQKTUBE-DNTCVELPSA-N 429.525 1.252 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCO[C@H]2CCOC2)cc1 1316533141 FFUHLTCRPFYWCG-IBGZPJMESA-N 440.504 1.251 30 10 IDEE Cc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nnn1-c1cnn(C)c1 1350736317 YZODFSZDJNLXCY-HAVVHWLPSA-N 442.505 1.374 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1358872683 XLLLLGSJVCZCCD-UWVGGRQHSA-N 436.485 1.870 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358965014 MGUMMSWPCADYLI-FXAWDEMLSA-N 436.603 1.964 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1c(C)cccc1C 1359024075 DWESZERXGCNGCB-LJQANCHMSA-N 446.573 1.962 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1359141332 CLTSFAVAFOVZPR-ZDUSSCGKSA-N 426.930 1.937 30 10 IDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)c1ccccc1 1359193801 JSJFRHFATUODFA-SJLPKXTDSA-N 446.577 1.575 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NC)c2)C1 1359310909 KVTATFDFHHKTNH-IBGZPJMESA-N 438.532 1.703 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnnn2C)C1 1359326089 SFKPWDLXHDLVEW-QGZVFWFLSA-N 425.493 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335435 LMZQYLBKPILYLD-ABSDTBQOSA-N 442.582 1.533 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1359340062 ZSUFFMKFJUYPMR-GOSISDBHSA-N 445.545 1.587 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1359467455 SHBKJJRPPZZZGO-GPMSIDNRSA-N 425.555 1.349 30 10 IDEE CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1360389718 UWYFICDRMNWUGW-GOSISDBHSA-N 438.536 1.638 30 10 IDEE C=CC[C@H](CO)CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1447022874 DUJJBFHAPGXXKM-BTYIYWSLSA-N 428.526 1.635 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 1447482419 JFQDVPFNXXPWRH-YPMHNXCESA-N 442.303 1.993 30 10 IDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1453768086 CQJCLWFEOZBYGO-ACJLOTCBSA-N 434.543 1.449 30 10 IDEE Cn1cc([C@H]2C[S@](=O)CCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)cn1 1463509663 GFSPDTGIXJDMJT-OYLFLEFRSA-N 443.348 1.549 30 10 IDEE C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cc(F)ccc1N1CCC(O)CC1 1465585719 BRBBRIBXAVFBDL-CYBMUJFWSA-N 429.452 1.188 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1473780061 UPRZHIGOGQLBRB-HZPDHXFCSA-N 432.487 1.399 30 10 IDEE CCCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1501040247 GPOZRMNWCYWFDM-UWVAXJGDSA-N 437.614 1.893 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1503277403 KURSJEUEZJMCDL-IBGZPJMESA-N 438.504 1.779 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1505151397 FFJKLZCDDLAPIH-WJOKGBTCSA-N 442.545 1.199 30 10 IDEE C#CCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507598723 HLONSQAALONMRD-XUZZJYLKSA-N 444.624 1.948 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1 1507603043 KRPUPXFYKLQYAF-UHFFFAOYSA-N 431.298 1.269 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507624565 BNXXMCQOCGXVFY-FUHWJXTLSA-N 432.546 1.863 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1507666320 ADMYCGMJLOOGTL-UHFFFAOYSA-N 431.500 1.133 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCOCC2)CC1 1507726676 DCTKJALMMIGLGZ-UHFFFAOYSA-N 436.560 1.067 30 10 IDEE C=CCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OCC)CCOC1 1507953086 FFONXMLCXCDVLY-NRFANRHFSA-N 432.525 1.417 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1508041916 VTFKCSAXJAURHD-LJQANCHMSA-N 446.596 1.903 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1508071744 DIZBHZRFQXVSFU-CYBMUJFWSA-N 447.337 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C(N)=O)C1 1508142625 FFSPYIUXEZQFKQ-KRWDZBQOSA-N 442.545 1.194 30 10 IDEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1508165321 RRSDIYYEIKYCCK-GOSISDBHSA-N 440.573 1.130 30 10 IDEE CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1512637176 BCDJPUNTGNHRRJ-NRFANRHFSA-N 425.493 1.210 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nn(C(C)(C)C)cc1C#N 1531917320 AGGNXDUGGXJTKF-UHFFFAOYSA-N 447.517 1.792 30 10 IDEE C[C@H](C#N)N(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1534404540 HBQXMMVUPWPRIR-CQSZACIVSA-N 426.926 1.324 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(C#N)n3)ccc2F)CC1 1537425229 HNAZIATWAMUJMY-UHFFFAOYSA-N 431.449 1.197 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539202735 KNBIYLLIJGFRLO-ROUUACIJSA-N 437.610 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)N1CCOCC1 1539250389 MUNNFTXBXIJKBS-UHFFFAOYSA-N 441.919 1.929 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)CC1 1539454141 XSDNULKMGSIPNV-IBGZPJMESA-N 426.540 1.484 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1539743955 AOJKJDIWTZZKQW-PKOBYXMFSA-N 433.553 1.844 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCSC2)CC1 1539889925 DUPDBSSCIFDSHX-DLBZAZTESA-N 441.623 1.767 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539902393 GHMCEVBXQVMOCJ-WBVHZDCISA-N 440.614 1.795 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1540044622 XMAGPZNKPQUDMO-UHFFFAOYSA-N 433.534 1.619 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1540867444 WLSWEFCFWUAIQS-INIZCTEOSA-N 432.550 1.013 30 10 IDEE Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CCO2)n1 1543082147 GGZLSSIXZDVYHL-HXUWFJFHSA-N 448.531 1.624 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccncc2OCCC(C)(C)C)CC1 1564876314 HFFHLXRJHJVTOA-UHFFFAOYSA-N 437.566 1.191 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1583812499 YUVAWMADVZLMRW-MSOLQXFVSA-N 428.876 1.377 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1583820760 KXDRMCLZUSKJTG-INIZCTEOSA-N 438.550 1.231 30 10 IDEE COc1ccc(C(=O)NCC#CCN(C)C)cc1S(=O)(=O)N(C)Cc1ccccc1 1587078696 GAVAWXVMCFNXRZ-UHFFFAOYSA-N 429.542 1.811 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1587984933 OLSSGIRDWFHMPY-QGZVFWFLSA-N 443.577 1.346 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC2(O)CCOCC2)CC1 1588780976 ZKJDTVWUGNVBJQ-UHFFFAOYSA-N 430.940 1.680 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1589559914 VJKXKVURFDGQIL-AVRDEDQJSA-N 425.533 1.989 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC(N)=O 1589569611 POAYGONAORJNRR-KHYOSLBOSA-N 446.577 1.951 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1593695477 FKAWFZIQLHQHHW-HZPDHXFCSA-N 425.493 1.233 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1593764107 XXACQDTWKSUAHL-OAHLLOKOSA-N 432.550 1.529 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1594825004 UBYQMMWWBYGVJH-UHFFFAOYSA-N 432.569 1.688 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(CC)CCS(C)(=O)=O 1595517099 PFVLUKJBOMCSEX-UHFFFAOYSA-N 442.545 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C 1595776523 BCDSXEVDZQJVPW-AWEZNQCLSA-N 437.953 1.866 30 10 IDEE CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1615768675 MLEYWARTERSKIG-VCASGEJDSA-N 429.569 1.922 30 10 IDEE CCN1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CC1 1615888358 PVMYVLFDVSHFKX-UHFFFAOYSA-N 442.612 1.558 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619774460 BRHDWODELUBDJG-SPLOXXLWSA-N 428.493 1.104 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](c3nnc(N)o3)C2)CC1 1620460362 PYCMDGJEMDGOSH-SJLPKXTDSA-N 427.484 1.379 30 10 IDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1620525873 VJWLKVRRJCKXOQ-SFHVURJKSA-N 442.495 1.673 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1623684049 DBKBMDWWKANJPH-MRXNPFEDSA-N 433.509 1.372 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)C(=O)OC 1626184666 WXEOIKFXZBVWQL-UXLLHSPISA-N 436.530 1.657 30 10 IDEE Cc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1B1OC(C)(C)C(C)(C)O1 1627264391 DYZWSWVQCKYKIR-ZZEZOPTASA-N 425.294 1.550 30 10 IDEE Cn1cc(C[C@@H](CO)NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1630356501 KDUZGTVNSFANAD-AZUAARDMSA-N 439.516 1.846 30 10 IDEE C[C@@H]1C(=O)N(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C(=O)N1C 1633414830 UKBGVDMTJMRJQL-WBMJQRKESA-N 427.461 1.706 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)nn1 1639557714 VBSSLZNMYYMFMY-UHFFFAOYSA-N 443.485 1.909 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1639557998 ADOKZLPGWKOUAW-IUODEOHRSA-N 448.335 1.719 30 10 IDEE C#CCn1cc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cn1 1640012848 OCGMLUPJEVOXOI-QGZVFWFLSA-N 436.921 1.019 30 10 IDEE COc1ccc([C@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCO2)cc1OC 1655890713 JJQSTRZJINTPKJ-SIKLNZKXSA-N 430.549 1.769 30 10 IDEE Cc1cc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 1657872609 CFATYGKHCXNIMD-QGZVFWFLSA-N 446.508 1.916 30 10 IDEE N#CCc1ccc(OCc2cccc(NC(=O)N3CCN(S(N)(=O)=O)CC3)c2)cc1 1658365440 DTABPZWUSFFEPW-UHFFFAOYSA-N 429.502 1.685 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)C(F)(F)F)cc1 1665968852 HWOPRSXXMKRMAF-UHFFFAOYSA-N 429.442 1.549 30 10 IDEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C1CCOCC1 1670501942 ASLUCIUGVROLEA-ZDUSSCGKSA-N 442.335 1.346 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)C1 1685180817 QUFOGYAMTXKISP-ROUUACIJSA-N 432.565 1.448 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(OC)cc2)c2ccco2)CC1 1686812674 KEZOKMZMULCIQH-LJQANCHMSA-N 432.502 1.172 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1689853772 YERLTWFWAOJCSQ-VXGBXAGGSA-N 441.501 1.322 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689937216 SFWNDTWHTHMSHH-JOCHJYFZSA-N 438.536 1.368 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689980833 YBWIDTHWGOTNMC-OLZOCXBDSA-N 435.472 1.097 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1690025423 QCZVRNCENSZVQP-QFIPXVFZSA-N 446.555 1.088 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2cccc(C)c2)CC1 1690112284 UAFQIDRRSRJUIM-RBUKOAKNSA-N 444.605 1.756 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1690132002 CQFBFZGPAMXRQU-XXBNENTESA-N 425.533 1.461 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690154228 KVSZMHNAMDDXIE-UHFFFAOYSA-N 440.577 1.306 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690175493 YNEPULZCPZKWPN-MAUKXSAKSA-N 427.530 1.824 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1690300625 GYPULFJNRLXWJF-FFZOFVMBSA-N 439.582 1.488 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690311971 YDQUDKBAOLHGFS-AZUAARDMSA-N 446.596 1.902 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)CC1 1690411020 CVWUXMAVRPXSAG-OALUTQOASA-N 437.610 1.429 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690511132 QOPVUIINCZISMN-MOPGFXCFSA-N 427.553 1.695 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1690659099 JTZIAOMWDPYBTN-HNNXBMFYSA-N 449.556 1.070 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690714184 GXUYOUAUHXIXOQ-HXUWFJFHSA-N 441.598 1.659 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCCC2)CCOC1 1696085761 DUFZTXACLCIFLQ-SIKLNZKXSA-N 432.569 1.923 30 10 IDEE CCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1696436118 PCBLNNXRIBKIKH-QGZVFWFLSA-N 433.520 1.677 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1696915235 XQMIRCHAPJZJID-YOEHRIQHSA-N 448.474 1.971 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705514543 ACQHJABGVKLCDW-INIZCTEOSA-N 443.529 1.436 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705517436 VQRIJFFGRZUAIL-CVEARBPZSA-N 434.522 1.253 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705570686 SLLVAJQOWHWMHE-UWJYYQICSA-N 433.578 1.116 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccnc1-n1cccn1 1705629325 DUSHUASMMZVUQT-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOCC)CCCC2)CC1 1705638415 KGNLUYZPNZANQK-LJQANCHMSA-N 428.581 1.971 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1709815203 JHVNSBHGZNKXFZ-WMLDXEAASA-N 425.493 1.485 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1710124145 HYVNNYMHAOWQTC-JXPGLKHUSA-N 430.509 1.661 30 10 IDEE CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710875796 GWCRHIJZRCONME-UHFFFAOYSA-N 428.562 1.784 30 10 IDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1snnc1C 1711382594 FOLWDIDKSTZXHS-UHFFFAOYSA-N 440.533 1.899 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C#N)o2)C[C@H]1O 1711459583 ACRBCAOHHABYNH-DNVCBOLYSA-N 437.456 1.827 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1712876465 XXJSMHJEYLVTDQ-SGTLLEGYSA-N 432.847 1.424 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722337720 ACCWYMHWCZGFOH-UHFFFAOYSA-N 436.516 1.482 30 10 IDEE C#CCCCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1722340722 GPFKUDFSIAXNGV-YADHBBJMSA-N 428.537 1.829 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722360429 HKCRVGJZGKNZMQ-JENIJYKNSA-N 445.545 1.018 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722367597 WOCBLZVWZDXRRX-IBGZPJMESA-N 436.541 1.642 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)c(OC)c1 1722382660 JFJVTFSUEJNZJG-IBGZPJMESA-N 426.542 1.813 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@H]2OC)CC1 1722432807 FOFZHGQPIIPRMH-VIZSFHNOSA-N 431.581 1.889 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722452303 DFPLLJSLJLVYMU-OAHLLOKOSA-N 444.527 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1722502991 UYQSIXKPEFYLEB-BZDHPDOMSA-N 434.537 1.911 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722532247 GJMREVHQBRCUMU-QGZVFWFLSA-N 444.496 1.768 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722538197 VIMJDNRXBIGRLP-FGTMMUONSA-N 440.566 1.157 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722538521 YJNQGJONADGFRO-IRXDYDNUSA-N 427.571 1.630 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722698926 PGICQKYFPGSWSI-YWZLYKJASA-N 439.582 1.124 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN3CCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703476 AJVUJJOSTSLMBD-PGRDOPGGSA-N 432.569 1.295 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722705163 AWRDLXUZUKRVAG-UHFFFAOYSA-N 437.548 1.701 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1728630618 JLVIXJTYFFPEJY-WOJBJXKFSA-N 431.585 1.666 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1729374968 MVPSAKSLZOXCOE-UHFFFAOYSA-N 433.463 1.549 30 10 IDEE Cn1ncc(CCCn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)n1 1729604046 CJPQEWHBPWWNNB-UHFFFAOYSA-N 434.552 1.930 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@H](C)O1 1730591669 DXUCVUHBCDAYDS-LPHOPBHVSA-N 426.521 1.925 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1740531640 PVCFHQFWPKCKBO-HNNXBMFYSA-N 430.534 1.741 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCS(=O)(=O)C1 1740537872 IDGNENBZHFGLTF-CHWSQXEVSA-N 440.367 1.939 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1740621936 QLQCGDOHFKJZFL-OAHLLOKOSA-N 428.518 1.807 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1740626741 WGBDVJXOUSRDTG-SFHVURJKSA-N 431.587 1.810 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OCC(F)(F)F)c1 1740629336 JZLLIWQSLOTNNH-UHFFFAOYSA-N 446.433 1.971 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1740708943 GKSMOAIJDNDEFY-JKSUJKDBSA-N 429.612 1.508 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740709054 IQEULRNXCFUWJN-HRCADAONSA-N 427.596 1.403 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1740731876 KHDIVGHZSFTHEL-GHTZIAJQSA-N 444.561 1.241 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CCC)CC1 1740825800 UQQBDPACVJMNKX-APWZRJJASA-N 427.571 1.319 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740843116 YFKNICFRIXNGPW-UHFFFAOYSA-N 445.612 1.763 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740889575 PLKYHVPJTLWFPN-IRXDYDNUSA-N 441.598 1.612 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(OC)C1 1740958647 FGISUNNAMMIEBI-JOCHJYFZSA-N 437.504 1.901 30 10 IDEE Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)c1C 1742022217 BLIOAZQSCFEGFV-MRCUWXFGSA-N 437.504 1.805 30 10 IDEE Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742818580 VFTFTOWWECFBDP-BQASMSSTSA-N 429.525 1.244 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1747658463 XZVKGDQPXSJGAR-PKOBYXMFSA-N 443.529 1.697 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1748228896 CQCNNVVCCYMDAA-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1748830360 VCLBUNDTRAQVPA-HNNXBMFYSA-N 435.937 1.694 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1748892043 IBMAVVAGTXWJDN-QZTJIDSGSA-N 432.546 1.186 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCSC2)CC1 1749015869 QGXCORJUFTZAAZ-JOCHJYFZSA-N 431.606 1.845 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749268448 ALFJLGCDKQABDH-KGLIPLIRSA-N 427.958 1.428 30 10 IDEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749400515 DCTXELTUAKMJET-GOSISDBHSA-N 438.532 1.381 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749459580 NPBWOMCPBMNZTG-GOSISDBHSA-N 439.520 1.329 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749663919 BIZOMRCNHIXNOF-QGZVFWFLSA-N 428.537 1.608 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749670935 XKDULCZZXOVDEO-ZWKOTPCHSA-N 430.553 1.217 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1749671129 YNVANTQXHIEWLC-LJQANCHMSA-N 440.548 1.557 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1750485531 YEVDZQYFMIZFMN-MRXNPFEDSA-N 427.465 1.887 30 10 IDEE CC(C)(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1750487053 UWIRLLJSNIWKCM-HDICACEKSA-N 440.504 1.595 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760138281 VQZBONWDUOFCJI-QZTJIDSGSA-N 433.578 1.575 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760186671 PYNXPSRJWIRMKB-DLBZAZTESA-N 432.546 1.943 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760186959 BLNDSFZKGIJXEW-QGZVFWFLSA-N 432.550 1.567 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1760205442 BJJCONDWVUOGPV-OAQYLSRUSA-N 448.552 1.546 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)SC)CC1 1760260091 LMADQJKWDBMGRW-INIZCTEOSA-N 447.634 1.745 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)N(C)C)CC1 1760266688 IRPBMMSKKDIOLZ-INIZCTEOSA-N 439.520 1.769 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC(C)C)CC1 1760389287 HNZXBJZYAHXFGB-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760508666 DDSKCSQYHXKPEO-IBGZPJMESA-N 447.561 1.771 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)CCS(C)(=O)=O 1760518772 GMOGCPVEUJVDLT-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760520101 CNNFIUDXNRTRHL-AWEZNQCLSA-N 437.953 1.914 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760525101 UEWNEMVAGDUDOX-SFHVURJKSA-N 426.496 1.511 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760525949 YCFRIDVQLSBYIU-VLIAUNLRSA-N 432.550 1.320 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2sccc2C1 1760557468 MKVNQIPQORIHDN-UHFFFAOYSA-N 435.575 1.626 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760569037 ASSPJDVUOCRUMW-OAQYLSRUSA-N 445.593 1.805 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761040812 BSVURWWSTNZMRT-HYEKCJMVSA-N 442.442 1.771 30 10 IDEE CC(C)OCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1761315485 SSAQDQWJJYKTQZ-ROUUACIJSA-N 440.552 1.974 30 10 IDEE Cc1nc(Cc2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1762279250 QYUXKZSURUUWET-VHEBQXMUSA-N 425.518 1.927 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)n1 1762445718 GXYSLAFUHNSJAL-IBGZPJMESA-N 431.566 1.847 30 10 IDEE CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1763457757 VSHRMFLYGSNUCC-QGZVFWFLSA-N 441.536 1.574 30 10 IDEE CCOCc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1767752052 HBSMBRPYDPXKLU-RTBURBONSA-N 445.545 1.494 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1768788979 BHYNNAGRDZYGOB-YWZLYKJASA-N 427.440 1.384 30 10 IDEE COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771082325 QQKVPZCIFZUJBC-LJQANCHMSA-N 441.536 1.633 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)NC(C)C 1771289653 UGTFBNTUQMBYBI-IRXDYDNUSA-N 440.570 1.070 30 10 IDEE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772748974 ZVQYFXWPLRACRC-UHFFFAOYSA-N 430.530 1.995 30 10 IDEE CN(C(=O)c1c(Br)cnc2nccnc12)C1CN(c2nccnc2C#N)C1 1848667530 LUBQKENYGIRAIK-UHFFFAOYSA-N 425.250 1.410 30 10 IDEE CC(=O)N1CCC2(CC1)NS(=O)(=O)c1ccccc1N2C(=O)c1cccc(C#N)c1F 1853087616 RORCLQWBNQOYNG-UHFFFAOYSA-N 442.472 1.975 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 1853145288 XGYXDQIRWHIBNF-SFTDATJTSA-N 437.544 1.727 30 10 IDEE N#C[C@@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)[C@H]1CCOC1)CC2 1857232283 RWSOSEQZEREOFH-HOCLYGCPSA-N 429.498 1.453 30 10 IDEE O=C([C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(O)CC1 1869929515 IOVPKFOGKBUPGZ-SFHVURJKSA-N 431.489 1.459 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 2006233216 HBHGVDHLDKTYKZ-FRRDWIJNSA-N 425.345 1.839 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625822 ORXAGNMABPTPSH-UONOGXRCSA-N 434.302 1.254 30 10 IDEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060636828 BXVCQRPSGOJMTE-CQSZACIVSA-N 436.318 1.644 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669744 HAXNRCFFATWWBS-MRXNPFEDSA-N 446.357 1.870 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2255605391 LVFRKUZSZVULOG-CHWSQXEVSA-N 435.334 1.005 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255665308 DSMMLZLAOMLYGM-GJZGRUSLSA-N 436.314 1.991 30 10 IDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255833183 YWARELRUGJWUPO-UHFFFAOYSA-N 426.326 1.450 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2267138867 YJZUSEFFNPYKPX-KBPBESRZSA-N 446.357 1.797 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2267492332 AFTTZKVXNTWXBF-RCDICMHDSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2267496908 GFHPONDFMBDZLP-UHFFFAOYSA-N 449.357 1.861 30 10 IDEE Cn1cc(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267514783 FBAZMPZFBCPJIV-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(=O)N(C)C)Cc1ccccc1 2267538793 OCMHQLPCNSKZOI-UHFFFAOYSA-N 440.353 1.933 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267539073 YAVROGDSIWAWMK-FUHWJXTLSA-N 439.369 1.612 30 10 IDEE CC1(C)OB(c2cncc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2267584490 HDZKCHRQTAEFBF-DEOSSOPVSA-N 437.349 1.748 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@@H]2NC(=O)OC(C)(C)C 2267600001 YTLHILLZBWCMDD-LAMFTWINSA-N 447.345 1.290 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(Cc2ccccc2)C1 2267602313 KLVGBELGMKTZGN-WMZOPIPTSA-N 439.369 1.755 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@](C)(O)C(F)F)cc2Cl)OC1(C)C 2282304711 OFIQQGQOVVRCPU-CQSZACIVSA-N 431.719 1.995 30 10 IDEE Cc1nc(Br)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1C 2337364073 YOMZRVUGGLMLIC-STQMWFEESA-N 427.347 1.936 30 10 IDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(O)cc2O)n1N 20292275 NUPGINMKBXQOQW-AWQFTUOYSA-N 429.462 1.589 30 10 IDEE Cc1nnc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)s1 20912179 GAHAIHRIACOLSF-NGYBGAFCSA-N 449.570 1.723 30 10 IDEE C=CCn1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nnc1-c1ccc(F)cc1 59795732 PBSNHMHNLUCAGW-UHFFFAOYSA-N 427.465 1.706 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)cc4F)CC3)ccc21 65075808 JLPDWTZRDKAFHY-UHFFFAOYSA-N 444.444 1.289 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 105362226 KIZUBESSWCESDK-UHFFFAOYSA-N 425.533 1.204 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCO1 409512514 JTVFGXDCOVBYDJ-HOTGVXAUSA-N 436.538 1.187 30 10 IDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1[N+](=O)[O-] 435616394 LRRCQIOJAVCIAE-UHFFFAOYSA-N 430.442 1.622 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 446629795 BRSWGKMWAYLRDE-FAEJEUNOSA-N 435.550 1.614 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 469555497 AHXADGZTKXXVAZ-APWZRJJASA-N 445.545 1.738 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 482323848 ZTHYBIYYTKAJGU-BBRMVZONSA-N 437.468 1.471 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 506911022 WGTIDGBOZXWZOP-LBPRGKRZSA-N 444.439 1.496 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 508826138 HKXMYDLOTIIYOL-PKOBYXMFSA-N 447.561 1.702 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 508921253 LDKHZVNHEDJJNS-APWZRJJASA-N 431.562 1.692 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 515731731 PPFCUGKYNLNXTR-UHFFFAOYSA-N 433.555 1.858 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCN2CCOCC2)c1=O 523580846 JUQXVBBWMTXBOF-UHFFFAOYSA-N 445.610 1.730 30 10 IDEE COc1c(F)cc(CC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1S(N)(=O)=O 548776662 FZTYNARDGKBOLA-UHFFFAOYSA-N 432.477 1.503 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)(C(=O)OCC)CC1 549291831 LYKPFCPFKMIHDW-HNNXBMFYSA-N 443.570 1.261 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 557883460 VHOIWHHOZPOABC-MRXNPFEDSA-N 432.468 1.627 30 10 IDEE C=CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 558419992 ZLDPACQLRYQYEK-ZBFHGGJFSA-N 425.507 1.319 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@]4(CNC(=O)C4)C3)n2C[C@@H]2CCOC2)cc1 569990644 CRKLEXWAYMKHTN-FDDCHVKYSA-N 436.516 1.872 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@@H]1COc2ccccc2O1 575952079 IHDWYWYTLRKPLQ-MRXNPFEDSA-N 425.441 1.868 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 576571065 LRZSRLDTISARGL-GFCCVEGCSA-N 425.433 1.808 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H](C(=O)N2CCOCC2)C1 578151267 ABCLGGKIIKFHNW-OALUTQOASA-N 428.533 1.901 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CC1 584010995 UUYCRAAVRUHQKB-UHFFFAOYSA-N 435.509 1.734 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)cc1 609141257 LYIHSRWWLYJLSX-UHFFFAOYSA-N 445.497 1.856 30 10 IDEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)cc1 730137121 DJEIPSOACSBUIX-GOSISDBHSA-N 447.605 1.773 30 10 IDEE C#CCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 733247565 SELWQIBCFKXCOU-UHFFFAOYSA-N 432.546 1.539 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 733761599 VBMHRDVZOFMSJF-DOTOQJQBSA-N 441.488 1.889 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C 742278078 CDVJTCGEZJUKRD-INIZCTEOSA-N 427.935 1.645 30 10 IDEE COc1cccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1OC 742398705 ZMWUYWLSBULQFB-UHFFFAOYSA-N 430.486 1.185 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 748065075 HMXBYNNAHHRNSR-UHFFFAOYSA-N 447.900 1.990 30 10 IDEE COC(=O)[C@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1cccc(C#N)c1 751656106 IFPOASRWBAWKMA-LEWJYISDSA-N 447.447 1.791 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@]2(C)CCCO2)C1=O 756084363 MHUDCMGAOASEEG-HJLHBQNASA-N 447.605 1.561 30 10 IDEE C[C@H](NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 767672987 BEJPLXYPWSIZQN-UONOGXRCSA-N 433.461 1.785 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@@H]1CCCO1 772900084 LLXLFYJYJFGFDT-SFHVURJKSA-N 446.532 1.419 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 773966004 CWABEJKWKGVDLW-KKUMJFAQSA-N 436.534 1.487 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)c1 784123901 HFWCRBQMCGGLGK-GOSISDBHSA-N 444.561 1.948 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC[C@@H]2CCOC2)C1=O 784125173 NAHGGTXMMOUSFJ-VQIMIIECSA-N 443.573 1.984 30 10 IDEE N#Cc1cccnc1N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 796558408 SFSOTOUMEQRHOH-UHFFFAOYSA-N 442.501 1.973 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC=C)CC1 800777515 ZKWCPUGMKQHZGP-UHFFFAOYSA-N 426.521 1.573 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCCOC2(C#N)CCOCC2)C1 809083287 DCZAEMVCFURWGT-MRXNPFEDSA-N 441.506 1.325 30 10 IDEE Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 917748815 ZAXCBDIJQSEVOC-XSFVSMFZSA-N 445.954 1.996 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 917930219 GUWUKFQGZGKBST-GFCCVEGCSA-N 426.438 1.551 30 10 IDEE C#CC[C@@]1(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CCCN1C(=O)OC(C)(C)C 1126465086 UWYFJZQGECFWEP-ZHRRBRCNSA-N 429.521 1.825 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCN4CCSC[C@H]34)C2=O)cc1 1133494123 KOHFGGNNMOOCFM-KZNAEPCWSA-N 427.530 1.459 30 10 IDEE COc1cc(C#N)ccc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1133629801 CSMIUTLGFYSQRP-OAHLLOKOSA-N 437.518 1.721 30 10 IDEE CN(C)CCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCS(=O)(=O)C1 1149024500 BSSXDPQGPAUZPI-MRXNPFEDSA-N 428.352 1.441 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 1157845324 UFJMMIIVVKZGFI-INIZCTEOSA-N 435.546 1.975 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)C2)c(=O)nc1O 1159489845 IUVDYMFZQBQEQJ-UHFFFAOYSA-N 431.334 1.117 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1167023753 FESRMEIJEBUKDO-SFHVURJKSA-N 444.410 1.700 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(COC)cc(C(=O)OCC)c1 1192213837 DEXKNLOYBYCHAY-UHFFFAOYSA-N 425.503 1.975 30 10 IDEE C[C@]1([C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)COC(=O)N1 1197891755 PAZWDXYGAZPUIZ-CSODHUTKSA-N 431.562 1.667 30 10 IDEE C#CCN(C(=O)NCCCN(CC)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1221258087 JZZJBZPNBHIZQM-UHFFFAOYSA-N 444.598 1.702 30 10 IDEE N#Cc1c(CCCNC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)nn(-c2ccc(F)cc2)c1N 1255194815 JNQRFKTYBRDICA-NRXGSXMXSA-N 428.468 1.501 30 10 IDEE C=CCc1cc(CNC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)cc(OC)c1OC 1264830929 BWQVSCSITHLDBR-FPOVZHCZSA-N 442.516 1.771 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC(OCC)C1 1286365828 KJIUWDHECVEVLY-UHFFFAOYSA-N 447.561 1.195 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1286374886 QTQFUQNFDRJQEL-LJQANCHMSA-N 436.564 1.780 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286389358 INKNYWUEMAXINZ-IRXDYDNUSA-N 430.534 1.321 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286390262 ZKZNSLXJIZYOQB-KRWDZBQOSA-N 432.550 1.122 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1286390854 AJENEWOHWKVPBT-SFHVURJKSA-N 429.546 1.070 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(C)=O)CC1 1286418866 JNHKLRKNOSFLAH-UHFFFAOYSA-N 433.516 1.647 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)CC1 1286472436 SZTTYVBBVIYPIQ-KRWDZBQOSA-N 448.568 1.415 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)C2CC2)CC1 1286479978 YXXLANJEXXMWDQ-UHFFFAOYSA-N 428.487 1.429 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1286607122 BIMLOKKHDFPYFK-SFHVURJKSA-N 449.581 1.281 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(CC)c2)CC1 1286663156 HFLMBOSEASTFFN-SFHVURJKSA-N 449.581 1.278 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1Cc1ccccc1 1286780271 NBMKSORZMUVIQB-FUHWJXTLSA-N 446.577 1.402 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1Cc1ccccc1 1286780274 NBMKSORZMUVIQB-SJLPKXTDSA-N 446.577 1.402 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286782297 PZWBNCRECDMNMY-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H]21 1286782411 TXWDQGJVMLSCOZ-FUHWJXTLSA-N 444.561 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286817026 OCAACFJMZPQRKO-UHFFFAOYSA-N 431.562 1.851 30 10 IDEE COc1ccc(C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccc(OC)cc2)cc1 1290249348 DPEKZWBWMRUJIY-FQEVSTJZSA-N 434.452 1.938 30 10 IDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CCC1 1296259348 HOAPRNXWMMYVTQ-INIZCTEOSA-N 435.532 1.790 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)(F)F)CC2)C1=O 1298870540 CNAWRTMBTFBCRQ-FQEVSTJZSA-N 447.465 1.979 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1300382481 VYKCQOFTGDESRR-OAHLLOKOSA-N 432.550 1.675 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1300512972 PAWKVEBEHPVXPF-REWPJTCUSA-N 428.581 1.029 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1300695464 BVXNMXDAZWYURJ-UHFFFAOYSA-N 448.497 1.765 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1300726929 UHPWLDJPFRFOMO-QUCCMNQESA-N 428.581 1.480 30 10 IDEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1301258998 CLFZNALSXZISAK-HXUWFJFHSA-N 438.532 1.894 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CCO1 1301372624 GIUOFNVOLLDVCQ-GHTZIAJQSA-N 440.548 1.637 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301492015 VCCIQWPQCOEDGN-UHFFFAOYSA-N 446.577 1.321 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1301593797 UQYYNVACYLXAGV-UHFFFAOYSA-N 448.574 1.610 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC(Nc4ccccc4C#N)CC3)CC2=O)cn1 1301625496 OHRVWPOSUPGEJR-SFHVURJKSA-N 436.516 1.857 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1302448369 PCRCBNPRLHHERZ-INIZCTEOSA-N 447.517 1.617 30 10 IDEE CS(=O)(=O)NCCCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1302497954 IQNDAUCZIOXEJP-GOSISDBHSA-N 444.561 1.416 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)cc1 1304566325 RTJKLDMPZABRQP-UHFFFAOYSA-N 438.465 1.931 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1316350175 WCLPXJHGWRRZQI-HXUWFJFHSA-N 428.518 1.110 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CCOCCCO)c1 1316528312 BYDBJYPWLSCZKS-HXUWFJFHSA-N 438.532 1.807 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(N2CCOCC2)CCSC1 1358870161 HDCYDXRTWGXOSF-VGSWGCGISA-N 448.637 1.862 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1358889590 DMFNEHBCJDVWDL-APWZRJJASA-N 447.561 1.434 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1358994237 IFTTUNXGEVBDHG-LJQANCHMSA-N 442.589 1.996 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1358999845 FKBAHMIAPWUJGF-HNNXBMFYSA-N 433.534 1.362 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CC1 1359035840 FYFYRQNRLJKFHU-OAQYLSRUSA-N 441.601 1.958 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1359064116 LHQHUJXMNFMHRD-LUQKVYGDSA-N 429.546 1.884 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359077700 JGCBYUILUVPBMD-CHWSQXEVSA-N 437.360 1.534 30 10 IDEE C=C(C)COCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1359137554 SNIBKTCONXAARV-QFIPXVFZSA-N 436.553 1.909 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1359227581 FMOONHDCQDNOLX-ROUUACIJSA-N 447.561 1.826 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359300416 BDEWRGWPLBPOEA-QAPCUYQASA-N 441.488 1.482 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1359357554 JCVLLVVNAFYOPZ-XXBNENTESA-N 438.532 1.927 30 10 IDEE Cn1c(C#N)ccc1C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1439824469 KDQLLFFLWHZEBY-OAHLLOKOSA-N 434.237 1.815 30 10 IDEE CN1CCC2(CC1)CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1452151709 JIFVZABHWRIFRU-GOSISDBHSA-N 425.489 1.086 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)o1 1452523908 HMHCXMIEOZPEPT-CYBMUJFWSA-N 427.427 1.988 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1)c1cc[nH]n1 1455533304 WDMMPQVUHHHRHR-HNNXBMFYSA-N 429.433 1.177 30 10 IDEE O=C([C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N(O)CCCN1C(=O)c2ccccc2C1=O 1458003541 QEUBXCJXIGJHDA-STQMWFEESA-N 434.392 1.114 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)[C@@H](C)COC 1460406855 FZZGAXCGIGLNTG-HNNXBMFYSA-N 447.960 1.835 30 10 IDEE C=CCCOCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1469633788 KRTSQLSUNDZJMO-UHFFFAOYSA-N 439.557 1.579 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1471983867 KBSCDYNJOINMQR-SFHVURJKSA-N 427.530 1.952 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)C2)nc1 1471984151 PXMQVSYBKFOPAY-MRXNPFEDSA-N 429.502 1.473 30 10 IDEE C[C@@H](CC#N)N(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1473273992 VCDNXHDVQXGVNF-VZWMTCDZSA-N 446.554 1.967 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)CC1 1476170759 QXVMCOCFFFPVNA-UHFFFAOYSA-N 445.501 1.500 30 10 IDEE CC[S@@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503301577 VQXSLDPNZJQVQK-ILHIWHGASA-N 430.534 1.476 30 10 IDEE CO[C@]1(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)[C@H](C)CC#N)CCOC1 1504048127 GLNXWKUOINUFOI-QRQCRPRQSA-N 437.504 1.736 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1507538919 PZUNPYMUIIKPAW-XWTMOSNGSA-N 437.566 1.050 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507622919 MXNBYVRXELZDSP-MRXNPFEDSA-N 447.536 1.597 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507629997 SOMSZPXWCSVDFT-OAHLLOKOSA-N 445.574 1.313 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCOC[C@@H]2C1 1508074286 RQYAICBMGVXLOQ-INIZCTEOSA-N 448.474 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(OC)CC1 1508132173 VNEKXPYFVKYAPW-FQEVSTJZSA-N 439.582 1.510 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1508145201 KKOGRQBDECMYEN-HNNXBMFYSA-N 427.571 1.792 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508851353 GCBQFRVSBXCNGK-WCAVRKLYSA-N 438.532 1.851 30 10 IDEE COCCOC1(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1519340164 IDDCABZUYZJSFS-KRWDZBQOSA-N 431.493 1.788 30 10 IDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)cc(OC)c1OC 1521186457 YLEIZTINLRLRMI-CJNGLKHVSA-N 427.461 1.570 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)c1ccc(I)cc1-n1cnnn1 1530722597 DHIAMTKQDILZNS-LBPRGKRZSA-N 425.230 1.425 30 10 IDEE C#CCC1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCOCC1 1537957255 FKNBLTRTPSBLBQ-INIZCTEOSA-N 435.502 1.684 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539015355 PHTAAJYPZKPWRA-FJIDUMEYSA-N 437.610 1.526 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1539206284 NYLYTKVTRNPFKM-INIZCTEOSA-N 431.474 1.005 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539220534 KJKZDARXHYSLDF-LSDHHAIUSA-N 435.575 1.476 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)C(C)(C)C 1539359427 GSTRINSIIYLKQF-PMERELPUSA-N 426.550 1.928 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](OCC)C(C)C)CC1 1539447421 RYWACXJJSKFJSA-MOPGFXCFSA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1539480818 FHNSSJWMIVBGQZ-FPOVZHCZSA-N 442.608 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539488645 CINMSQDLNFAUBZ-SJORKVTESA-N 428.537 1.010 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCN(C)C1 1540193885 DDCAMJSDKGYILN-QFIPXVFZSA-N 429.521 1.422 30 10 IDEE C=C[C@H](O)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1540398874 LTCNLCJRBVNDAJ-IBGZPJMESA-N 447.513 1.818 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540868109 SAACHCWAZYDNDD-UHFFFAOYSA-N 426.525 1.272 30 10 IDEE Cc1ccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2=O)cc1 1542415833 OMMBOEAPIIXRHJ-MRCUWXFGSA-N 435.488 1.275 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)s1 1543580827 KQTWNSFVCQGVGL-GFCCVEGCSA-N 440.012 1.615 30 10 IDEE CN(C)CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1545240423 VPEDBMDPKSMGQO-GOSISDBHSA-N 441.594 1.214 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1547814582 QUDJVEHVHKNWPL-QFPXGYFVSA-N 443.508 1.397 30 10 IDEE CNC(=O)[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548379786 HSCFIOAGCLYBGT-INIZCTEOSA-N 444.479 1.944 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1554689050 CEJCOFTYMZWKBN-XBEJARPLSA-N 444.536 1.704 30 10 IDEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)CC1 1561198509 KYWJLVLABDDARQ-UHFFFAOYSA-N 443.485 1.613 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)cc(C#N)c1 1561587692 FDUZPSPBIMKJMG-ZDUSSCGKSA-N 448.339 1.827 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCCOC)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1583558218 FODKBWOIWQDZRY-MRXNPFEDSA-N 435.550 1.742 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC#N)c3ccccn3)cc2)CC1 1586334190 SAKOMVRSIFNRPQ-UHFFFAOYSA-N 427.486 1.105 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)Cc2ccccc2C1 1587989304 IWHSYYLUXLJTEN-IBGZPJMESA-N 443.573 1.486 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588049163 BCVKEKYMDQZJTM-SFHVURJKSA-N 446.577 1.655 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588059319 LSEYJECBLAPNRR-SFHVURJKSA-N 432.594 1.860 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1589403751 CYQRTHIUDGIGSH-CZUORRHYSA-N 431.356 1.706 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1589600271 ZJNYKOVZIIMACI-QGZVFWFLSA-N 441.646 1.317 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1593625373 SRRGCJDGRYZAHY-QYZOEREBSA-N 443.596 1.622 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1593691547 YNJIDTRIHYKOQM-SFHVURJKSA-N 431.541 1.803 30 10 IDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1594788629 QIQOQFHKSZCYIL-UHFFFAOYSA-N 444.355 1.863 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1COCCO1 1594867282 LFAMXKREZCZPFA-MRXNPFEDSA-N 434.566 1.974 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1595109278 WKAOUQBTESBQED-JXFKEZNVSA-N 435.550 1.232 30 10 IDEE CC(=O)NCC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1596583601 KPQYDVSQAYKBLI-CZIZESTLSA-N 429.525 1.280 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCOC1 1597321646 BNPFQIJTWJLIAO-JOCHJYFZSA-N 425.537 1.611 30 10 IDEE CC[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)n1nnc(-c2ccc(Cl)cc2)n1 1598566993 CZPZUYWONJOXLE-DHSIGJKJSA-N 434.909 1.341 30 10 IDEE CCOCc1nnc(N2CCOC3(CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616966522 DQHYJHDDPOHJSJ-FMQUCBEESA-N 444.536 1.881 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1619990404 SHEYOMHVNAFWQR-KBXCAEBGSA-N 429.518 1.269 30 10 IDEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@H]1O 1620537865 GRJOWRWLVAZQJJ-OXJNMPFZSA-N 446.548 1.412 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)CC(C(=O)OC)=NO3)s1 1625051321 MKFVIBRMIXEVLE-UHFFFAOYSA-N 441.531 1.065 30 10 IDEE C[C@]1(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)NC(=O)NC1=O 1628791700 XCJGHBLUBNXYMU-LRTDBIEQSA-N 443.891 1.401 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1636469636 RCFSNBGTQLEGPF-UHFFFAOYSA-N 446.529 1.591 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1637085828 UFJZASNDDSBSED-UXHICEINSA-N 432.546 1.919 30 10 IDEE C#CCN(C(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1637761783 GAAAJSGNLLYCLI-WBVHZDCISA-N 427.567 1.854 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 1638392492 DFEOFUZSCYDORH-QZTJIDSGSA-N 435.569 1.147 30 10 IDEE C[C@@H](CC(=O)Nc1ccc(N2C(=O)CCC2=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1640640210 SVICCLPJCBBWNY-ZDUSSCGKSA-N 440.481 1.796 30 10 IDEE CN(C)S(=O)(=O)NCC(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 1643839236 KTNTTXNZKHZGGK-UHFFFAOYSA-N 433.339 1.474 30 10 IDEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1644570676 OBSNLZZKIUKPBF-UHFFFAOYSA-N 425.526 1.062 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1648384759 GPDZESYCTFJVQI-NVXWUHKLSA-N 443.525 1.794 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)n1 1663733964 HKFSCDASPDOHEL-UHFFFAOYSA-N 440.566 1.263 30 10 IDEE Cc1cc(O)nc(N2CC[C@@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)C2)n1 1665502935 CAAMWVHQQWQCIS-CYBMUJFWSA-N 438.307 1.682 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccc(-c4nncnn4)cc3)C2=O)cc1 1680024544 IXZVCCGDXOEUMV-IBGZPJMESA-N 428.456 1.800 30 10 IDEE C=CCOCCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1682774848 PRYYNEPGYFQOAR-UHFFFAOYSA-N 431.278 1.506 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CCN(c2ccccc2OC)C1)[C@H]1CCS(=O)(=O)C1 1689982898 WVUUWYATQIWHIQ-OALUTQOASA-N 443.573 1.748 30 10 IDEE C=C(Cl)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690358970 PKCVAPRBOHFPCE-KNBMTAEXSA-N 425.961 1.840 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690663892 HRHVNOLPCYWRSJ-ZWKOTPCHSA-N 428.537 1.696 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1690923054 HUYWNNCOCWAEOT-KRWDZBQOSA-N 437.548 1.642 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1691003610 JLSDTSMPHWXMOR-NWDGAFQWSA-N 441.451 1.693 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1691317644 AQVGLXGCLNTMKX-CALCHBBNSA-N 431.518 1.592 30 10 IDEE CC(C)CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1692339406 NKMLGUFLLDVFQY-QQMHEVNUSA-N 441.536 1.771 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1705546175 CUDFRLBGYCRLML-GOSISDBHSA-N 428.480 1.831 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705568436 NNPUYHMJMHIMKH-KURKYZTESA-N 433.578 1.463 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1705569670 FPVKONJOKBANHA-AWEZNQCLSA-N 426.493 1.743 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1705571002 WFCLJYJAOGZETR-KRWDZBQOSA-N 431.543 1.902 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1705598388 INEMFYVUYAKNKU-NRFANRHFSA-N 434.544 1.915 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(OC)c2)CC1 1705631766 PNKJLFVANAJBNM-UHFFFAOYSA-N 438.532 1.335 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccco1 1705666426 FILQNSNFHWDCFU-JOCHJYFZSA-N 433.472 1.941 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705780974 MPUJAKPCZPQUIY-MAUKXSAKSA-N 438.598 1.549 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1705805894 ROWHGVHSQNMUGQ-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705932780 KHHDLGGNBNSKDZ-QGZVFWFLSA-N 444.517 1.815 30 10 IDEE CC(C)C(=O)NCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1706239476 CRVDLKOHBYMMJV-NRFANRHFSA-N 438.467 1.808 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1706749749 CGFVLANZUGWKCL-HNNXBMFYSA-N 432.492 1.408 30 10 IDEE Cc1csc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)n1 1707730455 BXVITHBWUZOSSF-JSGCOSHPSA-N 439.567 1.020 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722493901 LFNAOJDFMCVYMS-WTGUMLROSA-N 446.596 1.554 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722532376 KIOIIUBOCMANTN-OALUTQOASA-N 431.585 1.038 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722614853 DWMRIURCCJCBIO-YTQUADARSA-N 429.569 1.184 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722615615 VDFQGDNWMANYLG-INIZCTEOSA-N 426.481 1.825 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1722699238 DWNQWXCYITXHKI-UHFFFAOYSA-N 446.502 1.754 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1722735008 LUTILHVYWARHST-UHFFFAOYSA-N 440.616 1.837 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1723081484 GCQKXMZBGQCLCW-UHFFFAOYSA-N 433.463 1.406 30 10 IDEE CC/C=C/Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727843819 ARDMUZOLSAUYNB-URWSZGRFSA-N 431.522 1.389 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1729351192 HFVDSTCFYOYGMA-SFHVURJKSA-N 445.545 1.372 30 10 IDEE CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1729736571 DWLUKJPHTBSQOW-UHFFFAOYSA-N 432.550 1.870 30 10 IDEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1730354461 ALFHKUHBQUHKOV-QHAWAJNXSA-N 438.532 1.973 30 10 IDEE COC[C@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730550998 IDHVXTBEEURMNN-BJFAEBDGSA-N 444.536 1.909 30 10 IDEE COCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730707153 RMUHMTLWJYLOAP-KRWDZBQOSA-N 433.520 1.677 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1730996263 FZTTXUMTIHZHNQ-YLJYHZDGSA-N 447.586 1.698 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1740622711 HHMLWAFILVOIQQ-HUUCEWRRSA-N 433.559 1.274 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnnn1CC1CC1 1740662174 FLFJRSXJYVUXRW-UHFFFAOYSA-N 430.314 1.940 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740709901 NTMLXWYVHJKPGM-ROUUACIJSA-N 434.610 1.330 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740823894 QLWPDNRZJVEOBA-GOSISDBHSA-N 429.546 1.979 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1741123547 FORDBRNUQJVAKC-KZNAEPCWSA-N 431.585 1.998 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1741124064 CSMVIRNJTQBKJJ-LSDHHAIUSA-N 432.550 1.605 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1741885673 MQTMKMMCXLVMHV-QGZVFWFLSA-N 428.562 1.948 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1743349154 DHWCICDIBGIVKP-ICSRJNTNSA-N 440.548 1.801 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C)S(C)(=O)=O 1746308301 ANQXSYMSKQXFLP-INIZCTEOSA-N 432.550 1.713 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 1746947403 DSDANBGZNRBCPG-SBGRQLAYSA-N 447.561 1.616 30 10 IDEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1748273690 KYZJVRSUQRVYEA-IBGZPJMESA-N 437.548 1.897 30 10 IDEE 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CC(C)(C)OC(=O)N1CC(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1750488605 CHZGJJRLGIWNEH-SFHVURJKSA-N 439.520 1.860 30 10 IDEE C[C@@H]1CN(C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1752268235 BWVVPAJXYVPOKD-KZNAEPCWSA-N 425.537 1.957 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCOCC1 1760110539 QIQURLXPKORALQ-HNNXBMFYSA-N 432.550 1.238 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760273756 AYCIETZSHRMESC-OAGGEKHMSA-N 428.628 1.174 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760441951 ALLGBNUXUZRWOG-UHFFFAOYSA-N 440.552 1.033 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1760521358 QMRZHCLYOLPIQN-VNQPRFMTSA-N 430.534 1.559 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760523585 CCMZFEBYYXNEBF-ZWKOTPCHSA-N 445.568 1.057 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1760525147 WBRMCLGAXJDPPZ-QHCPKHFHSA-N 436.491 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760553600 FPACGVUHQUFODG-UHFFFAOYSA-N 444.561 1.182 30 10 IDEE CC(C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1760821034 BNHXQZSBBIXHEM-UHFFFAOYSA-N 437.548 1.365 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)COCCO1 1761569022 ARUWOIDPLFXPJH-WIYYLYMNSA-N 445.545 1.636 30 10 IDEE Cc1cnn(C[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CCO2)c1 1762186057 AWBVSRSGXICNDM-SFHVURJKSA-N 438.492 1.340 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC2(CCOCC2)O1 1763088878 AAPOOBHUQXGJCG-INIZCTEOSA-N 445.545 1.636 30 10 IDEE CC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1765145596 MSCAUOMOPUPPBV-DXNFXHBHSA-N 448.549 1.085 30 10 IDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1768570543 NKUIFWHNQGUWPY-QBNCKDSPSA-N 439.545 1.732 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770326271 FNGNDJQWJCAQFF-IBGZPJMESA-N 438.513 1.662 30 10 IDEE 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C=C(Br)CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 2013098940 QLIZTTSBXSQHIQ-STQMWFEESA-N 425.345 1.935 30 10 IDEE CCOc1cc(C=CC(=O)[C@H]2C(=O)C=C(C)OC2=O)ccc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c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626348 FOZXQYZYSXBVBN-ASSNKEHSSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H](O)C1 2255705525 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C#CCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 22895613 BUUMDJSAXBSCKA-INIZCTEOSA-N 426.494 1.728 30 10 IDEE COc1ccc(N2/C(=N\C(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 102692548 QKSFSFXEPGTZJU-CGRFMXQNSA-N 442.515 1.560 30 10 IDEE O=C1C([N+](=O)[O-])=CC=C/C1=C\NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 136903697 OMZPMIGGZVUCKH-CCEZHUSRSA-N 426.481 1.952 30 10 IDEE CC(=O)OC[C@@H]1O[C@H](n2cnc(C#N)c2C#C[Si](C)(C)C)[C@H](OC(C)=O)[C@@H]1OC(C)=O 198128278 OURBYMJWHWPAPA-NMLBUPMWSA-N 447.520 1.308 30 10 IDEE CC(C)c1ccc(N2C(=NC(=O)COCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254520776 AMSOHEQSMXODTP-LSDHHAIUSA-N 426.516 1.513 30 10 IDEE COC(=O)[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 428567518 BRXYMNBLXZZHSZ-XCLFUZPHSA-N 433.461 1.569 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447788956 XQGZFHKEULAUGG-UHFFFAOYSA-N 435.553 1.923 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NC1CCC(Oc3ncccc3C#N)CC1)C2 474683299 FCQKOPZMGIVUTA-RUWAHJQLSA-N 428.489 1.864 30 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N#Cc1ccnc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCCO3)CC2)c1 549660208 NQHLNULIHYMXGH-MOPGFXCFSA-N 439.520 1.528 30 10 IDEE CN(C)CC1CCC(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 553131963 POAPGMUYMMKRAD-UHFFFAOYSA-N 425.577 1.829 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 559005258 YXATWPVXOAXLLE-IBGZPJMESA-N 426.521 1.703 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 590914575 BGIRDSHRFDUJEE-LJQANCHMSA-N 439.581 1.926 30 10 IDEE N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cn1 609642877 CJEMQOJOHISPDO-UHFFFAOYSA-N 441.513 1.827 30 10 IDEE N#C[C@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)CCN1C1CC1 732681561 HCTYZHZRZCAYEN-FQEVSTJZSA-N 430.574 1.823 30 10 IDEE CNC(=O)c1cccc(NC(=O)[C@@H](C)ON=C(N)c2ccc(CN3CCOCC3)cc2)c1 733305349 BNVVFVUGARDYBN-MRXNPFEDSA-N 439.516 1.543 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 742279154 RNSCBWPCNQFIEC-JTQLQIEISA-N 427.287 1.713 30 10 IDEE COC(=O)CCc1nnc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 742691985 ZRLVHRLGYQBZQD-JTQLQIEISA-N 437.503 1.100 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 758773882 SSGXXXMIYONDAH-YESZJQIVSA-N 435.525 1.026 30 10 IDEE CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CN(C(=O)OC(C)(C)C)C1 764384267 ISGRQMNROFTQLQ-UHFFFAOYSA-N 436.534 1.960 30 10 IDEE C=C[C@@](C)(CCOC)COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 784613774 DSCBMWLYSNORKS-NRFANRHFSA-N 438.546 1.925 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)N(C)C)cc1 785370049 RLUZXUOYASEOOM-KNTRCKAVSA-N 430.552 1.110 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 788814550 QLKCERSVIZWFHN-UHFFFAOYSA-N 430.530 1.590 30 10 IDEE C[C@@H](C(=O)N(C)S(=O)(=O)c1ccc(I)cc1)n1cnc(C#N)n1 798830442 QIZOACHLLDFUEM-VIFPVBQESA-N 445.242 1.163 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 808113847 MGZJYNROLFSTFJ-CQSZACIVSA-N 431.470 1.667 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@H]1CCOC1 814250446 PVDGANGXGIWEMP-CYBMUJFWSA-N 448.495 1.280 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2sccc2F)CC1 815333632 QGTVNWVFXQWRCE-UHFFFAOYSA-N 437.474 1.449 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)cc1OC 1083937447 LNXSOPDBZRPPRF-UHFFFAOYSA-N 428.478 1.581 30 10 IDEE N#C[C@]12CN(C(=O)/C=C\c3ccc(I)o3)C[C@H]1CS(=O)(=O)C2 1134428830 CLCXWCMIWIAVSP-BSDYTAMGSA-N 432.239 1.294 30 10 IDEE CC(=O)N1CCN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1141664874 FBEZHSZKLLMMNI-DKTYTTGXSA-N 433.553 1.054 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc(Br)ccc2=O)c1 1159851682 AAIJZPVJJSVAKW-UHFFFAOYSA-N 440.319 1.505 30 10 IDEE CN1C(=O)CO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 1268982822 NIQLZRSKSCCUIU-TYPHKJRUSA-N 433.468 1.163 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286393965 SJIUVFAYPHLHSV-SFHVURJKSA-N 445.520 1.215 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1286430207 FTBAPGQHDKNKMX-UHFFFAOYSA-N 449.559 1.457 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)CC1 1286562509 GQVKJNODJDDDSK-RBBKRZOGSA-N 443.596 1.889 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286777105 APNSZPNTIZSHNF-UHFFFAOYSA-N 430.484 1.355 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286783488 SQLMTTGXLLPURT-UHFFFAOYSA-N 425.493 1.767 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286792059 LHCPNURZRFDFHS-VSOVRNOCSA-N 436.516 1.628 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCOCC2)C1 1286811758 HTZAENCVWYXLRI-UXHICEINSA-N 446.596 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCNC(=O)CC1 1286818590 KJWKOEHOAWPNAX-UHFFFAOYSA-N 442.545 1.364 30 10 IDEE CC(C)N1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1287992748 HQRILRYZRAPPAR-RWNPKEDZSA-N 443.552 1.229 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)cs1 1290435080 GLJUWGMEANSNJG-KRWDZBQOSA-N 429.550 1.765 30 10 IDEE COC(=O)CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CCOCC1 1294074618 AHIJBIMRDWLCHP-UHFFFAOYSA-N 436.306 1.938 30 10 IDEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1298714804 QFSDHJHXYQPMTE-OXQOHEQNSA-N 438.573 1.887 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 1299188165 OIAZURIIGGKYPV-AWEZNQCLSA-N 431.426 1.575 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C[C@H]1O 1299412400 LSVYKDZWINUDFT-VTGBYBNISA-N 443.529 1.088 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)c(OC)c1 1300076055 BEKGFZAEEJFKKY-KRWDZBQOSA-N 442.520 1.853 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1(NC(=O)OC(C)(C)C)COC1 1300275231 RWBHIJYQUAFSAX-JKSUJKDBSA-N 437.541 1.754 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1300357805 YEJFCWGGSXGYKE-QGZVFWFLSA-N 426.525 1.436 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1300466018 SSYROELCOGMFNY-KRWDZBQOSA-N 437.953 1.577 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1300487015 DKDJPOFMJPPDFH-LJQANCHMSA-N 437.525 1.507 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 1300545333 OLXVFCXPLQOSFS-UHFFFAOYSA-N 436.482 1.748 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300584578 WUXNYEMWRZDPPL-OAQYLSRUSA-N 446.960 1.535 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCSCCCO)CC1 1300719596 HWSACRDVYFACPZ-UHFFFAOYSA-N 428.562 1.422 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1300726206 IORGBMMPFLTDFD-SFHVURJKSA-N 425.537 1.207 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCOC)C1 1300843706 HYUUBVSXMPGNHO-UONOGXRCSA-N 428.331 1.770 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300891745 MOOIOPFNTFCXKY-BJLQDIEVSA-N 437.610 1.977 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301174137 MXPOKQNJHGQGFT-ZFWWWQNUSA-N 439.542 1.514 30 10 IDEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1301259049 FQIDPRSYKMMPOQ-INIZCTEOSA-N 430.484 1.803 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C)C1CC1 1301327229 OPENYIKAJFSBQN-IAGOWNOFSA-N 441.598 1.827 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301482590 XKBHFFGQOAJTAJ-ROUUACIJSA-N 431.562 1.746 30 10 IDEE CC(C)C(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302443274 LNAQISNHLVPFIJ-HXUWFJFHSA-N 436.564 1.603 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCO1 1314875064 CYLMQXHZMQQEIX-FQEVSTJZSA-N 448.549 1.283 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1316097448 CFOYXKZIEXMJGN-UTKZUKDTSA-N 432.525 1.219 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316226163 CJIHXDDZLKVERP-QUCCMNQESA-N 427.505 1.974 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)N2CCOCC2)c1 1358901744 VNSCXURGNGPZKV-UHFFFAOYSA-N 447.499 1.188 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358960899 NXTICQMCOVCHDL-JTSKRJEESA-N 445.589 1.852 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358962584 SHIOSINGUIGMIN-RBUKOAKNSA-N 437.610 1.877 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358965685 ZFZNAKCZZAVDQT-QGZVFWFLSA-N 442.570 1.590 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](F)COC 1358992034 XCJNIIFRGSVPJW-MRXNPFEDSA-N 432.525 1.686 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1359070107 FNULWOHRFBJLTE-YLJYHZDGSA-N 435.594 1.283 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359130419 JLIFXNDUMVUYCL-UHFFFAOYSA-N 442.564 1.952 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1359330188 JXUGWFWLDMDNTH-OAHLLOKOSA-N 434.518 1.554 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1359854477 VBABAKPQMFCUEX-JTSKRJEESA-N 425.537 1.610 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(F)cc1 1360568507 CTYIMOIOSMMDTD-VKJFTORMSA-N 449.508 1.516 30 10 IDEE COCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C)c(B3OC(C)(C)C(C)(C)O3)c1)CC2 1445627256 IHRKVVIFPBCFLK-INIZCTEOSA-N 426.326 1.777 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)n1 1448863896 XTAJYAVPHSPCHC-UHFFFAOYSA-N 431.493 1.257 30 10 IDEE C=CCCn1cc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)nn1 1455111258 WDHGXZOAPJEZNJ-UAGQMJEPSA-N 446.508 1.509 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1458040034 SFCHJGIJKATZCA-HRAATJIYSA-N 448.545 1.742 30 10 IDEE CC(C)(C)OC(=O)NC[C@](C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC1 1464898449 DGZIAZRNJVZHMQ-FQEVSTJZSA-N 436.534 1.646 30 10 IDEE CS(=O)(=O)CCOc1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1467023366 FHACMMVONQEPAH-UHFFFAOYSA-N 429.502 1.731 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(c2cc(OC)ccc2Cl)CC1)c1cc[nH]n1 1469796009 WRCCHGVYDIJSEE-UHFFFAOYSA-N 449.895 1.704 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1470960557 YTYGYDLSYHEDKV-ROUUACIJSA-N 436.553 1.668 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)cc(C)c(Br)c2C)CC1 1471450944 LSMMXKBYORJMPU-UHFFFAOYSA-N 442.379 1.529 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1494477409 HADJZRDARABMJX-JFIYKMOQSA-N 445.545 1.777 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)OC 1504578701 DIXMNYFCQBCJKV-MPGHIAIKSA-N 435.550 1.736 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1505043872 MROQYBPNQJQVND-QGZVFWFLSA-N 426.521 1.927 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507511934 AWSCLAHAPMBIFH-NVXWUHKLSA-N 426.496 1.455 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1507686328 ABOPNZPSMLVZNJ-UHFFFAOYSA-N 445.483 1.675 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1508058224 UOWQGJGHVYFFQF-QGZVFWFLSA-N 433.534 1.724 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1508142648 ATTNCMONQSJZBT-LJQANCHMSA-N 449.552 1.130 30 10 IDEE CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508254051 UQHJNVBSOWUKJG-MRCUWXFGSA-N 441.536 1.206 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1519578643 IQEWDTCJKFJMKM-QAPCUYQASA-N 448.549 1.798 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCCOC2)C1 1519606235 JWQHLKWNQRTDTO-HXUWFJFHSA-N 430.534 1.373 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1539005636 ZYSSYZIEIFHSJL-INIZCTEOSA-N 435.532 1.812 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539094103 KJPVMYRBKXJBLJ-GJZGRUSLSA-N 440.570 1.405 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539203488 QTXXQIBURKNSCB-SJLPKXTDSA-N 435.594 1.867 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1539475779 NZWSOPQZJFFFGL-AZUAARDMSA-N 438.532 1.357 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1539611683 CHWDMYHEPXRFLY-VXNCWWDNSA-N 430.553 1.645 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1540170237 LPGHHWRHYFPVAQ-SFHVURJKSA-N 432.550 1.427 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1540171207 WSSDJBYXVIESNE-SFHVURJKSA-N 436.582 1.051 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1540872263 IKSQYBFQEOPUGI-UHFFFAOYSA-N 426.496 1.417 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540900157 MPHHEGMOJDIDTI-HNNXBMFYSA-N 428.518 1.084 30 10 IDEE CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1541083074 HJFUHDFKRBKHMG-UHFFFAOYSA-N 432.488 1.960 30 10 IDEE CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1548313761 HAUQBFPRQRGIJN-UHFFFAOYSA-N 439.545 1.768 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1552731448 GYRPJPZTFYXFRS-INIZCTEOSA-N 447.540 1.415 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1555280131 DKRBDEYORUVEDE-MSOLQXFVSA-N 430.484 1.234 30 10 IDEE CC(C)N(CCO)CC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1557141129 DYGJFGWPDRJLKR-UHFFFAOYSA-N 425.526 1.678 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(Cc2cnn(C)c2)C1 1557715995 PLGJBWQATVHTIO-GOSISDBHSA-N 429.546 1.574 30 10 IDEE CN(Cc1ccccc1)C1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCCCC1 1565304824 CBLRMGAILFXWQV-UHFFFAOYSA-N 438.532 1.955 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N3CCN(C(=O)CC#N)CC3)CCC2)C1 1566317884 MFBFIPZLMQPZCB-QFIPXVFZSA-N 434.537 1.503 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)s1 1570741132 DRUGLEKKBXXYKO-LJQANCHMSA-N 446.558 1.386 30 10 IDEE COC(=O)Cc1ccccc1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584880058 MVOAVOWKUHNDIK-IBGZPJMESA-N 434.452 1.795 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)nn1 1585555715 PRXFEKITCZPLLY-UHFFFAOYSA-N 433.534 1.967 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1587497906 HRTJYYQWAFVXLU-ZHRRBRCNSA-N 432.521 1.474 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1587554905 AAMXMKZFXCLXEM-ZWKOTPCHSA-N 425.537 1.740 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C(CC)CC)N1CCOCC1 1587663051 TYWFPZMNQZMPQB-AZUAARDMSA-N 430.597 1.995 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](C(F)F)CC3)CC2)cc1 1587870978 ZWBMWDULGLXATF-KRWDZBQOSA-N 427.473 1.842 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588046106 XECYDVMTHFDKMX-VQTJNVASSA-N 439.541 1.868 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1588053850 INCNNLWWPKXQSP-MSOLQXFVSA-N 446.577 1.197 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588054965 QQXFTVVYFZFZEE-IAGOWNOFSA-N 447.948 1.558 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1588385252 GWBQWGJSDSGZQX-MRXNPFEDSA-N 425.518 1.269 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(OC)CCOC1 1588581107 GTWXVBNJKDCOBZ-SFHVURJKSA-N 438.326 1.927 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(OC)c2)CC1 1588812129 PGYBCHCWRLSSQV-LJQANCHMSA-N 443.573 1.187 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2noc(CC)n2)CC1 1588913704 PXPFWBGCCPQQKE-UHFFFAOYSA-N 436.520 1.438 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1589579386 KTOKEZAONVPWMK-CROMWVBPSA-N 447.580 1.967 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1593694819 ALVKGLISPCVJKU-SJLPKXTDSA-N 441.598 1.876 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)cc1 1595614207 PWELOXUEPPODBP-RBUKOAKNSA-N 427.505 1.694 30 10 IDEE Cc1nc(C#N)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C 1614768653 NKPKVGHEHDHTPB-KBPBESRZSA-N 431.518 1.808 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1620054156 DNHMQQLFXRTHSY-HXUWFJFHSA-N 441.532 1.990 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)CC1 1622889960 SEZHLXZGQULLRJ-UHFFFAOYSA-N 427.914 1.306 30 10 IDEE CN1C(=O)CC[C@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1627041365 QUQLFFWMRJTNDP-FUHWJXTLSA-N 426.473 1.656 30 10 IDEE Cn1cc(CN(CCn2ccnc2)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1627177701 VZKOJGJEUCCXAJ-UHFFFAOYSA-N 430.465 1.396 30 10 IDEE Cc1ccc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1630108847 RVIZWPTUIWQZLL-HXUWFJFHSA-N 436.534 1.926 30 10 IDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1=O 1631331547 YUEIQORPMZSZED-LJQANCHMSA-N 431.496 1.792 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1638001522 QNXKOJNTJGLCTL-SFHVURJKSA-N 430.486 1.650 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1COC(=O)N1CCCCC1)c1cc[nH]n1 1640358933 SMXLGBHBFCDRAC-MRXNPFEDSA-N 449.508 1.697 30 10 IDEE Cc1ccc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)NCC#N 1642915575 DTFCOLHTHXACPG-HNNXBMFYSA-N 449.554 1.734 30 10 IDEE N#CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1642916063 RGFDNDGOGSOOIJ-SFHVURJKSA-N 435.506 1.196 30 10 IDEE C#CCC1(O)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1644292664 WIFPEHSCVISBPR-UHFFFAOYSA-N 433.574 1.328 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(NC3CCOCC3)CC2)CC1 1644488465 BFOZFNNBEYCYBT-HXUWFJFHSA-N 431.606 1.690 30 10 IDEE C[C@H](CC(=O)N1Cc2cnn(C)c2CC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1647900331 XDFSUJOULJCSIT-CQSZACIVSA-N 429.546 1.848 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)c(=O)n1C1CC1 1653013571 DIKXTYIXLOIVKC-UHFFFAOYSA-N 436.390 1.783 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1[N+](=O)[O-] 1654950915 QLMBJOADWFEGFO-UHFFFAOYSA-N 427.442 1.472 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1686223177 FREHFDBNDKYDFZ-UHFFFAOYSA-N 447.916 1.744 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1689985977 GLSIDLBWAMJQQZ-OAHLLOKOSA-N 430.921 1.997 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689988550 RQOQZKOJWUJGIL-OALUTQOASA-N 445.593 1.180 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1690002093 YOWGYZONOUALJZ-KRWDZBQOSA-N 425.464 1.489 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCN(CC)CC1 1690006334 NMZZLCFZRMCPLG-LJQANCHMSA-N 435.532 1.952 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690163590 KOLZKKAUPGVQHP-HNNXBMFYSA-N 429.546 1.996 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNS(C)(=O)=O)CC1 1690404959 YKSKXLDDIZSXFQ-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 1690671393 VFBSXVBLCHWUHC-CQSZACIVSA-N 449.499 1.651 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1697567836 MKBJIUBKPFGYFZ-APFMSCDFSA-N 438.488 1.705 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCO[C@@H]2C)c1 1705504886 FQGVTBGAQOICFU-OSPHWJPCSA-N 448.527 1.880 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCC(=O)NC)c1 1705506860 KTDZJHVQJUXDGO-UHFFFAOYSA-N 431.500 1.456 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705528900 WMDSXGLPVQRBSV-UHFFFAOYSA-N 447.543 1.211 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCCNS(C)(=O)=O 1705548268 BGDOPHOTCQKVSM-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705612283 DJYJIIZZJNUXRK-GOSISDBHSA-N 439.545 1.782 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1705641650 NYIHFTAMQMYDAV-OAQYLSRUSA-N 441.601 1.786 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1706648684 QIKVNDWICVYMHH-LJQANCHMSA-N 437.548 1.928 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1710839522 VYUUNMMSUURPIG-HKBQPEDESA-N 442.589 1.886 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1711085733 QRQYGPGWFJPDCI-RXVVDRJESA-N 445.545 1.494 30 10 IDEE COc1cccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1711937977 LPVKIZSNJQMAQN-LJQANCHMSA-N 440.504 1.721 30 10 IDEE N#CCCN(CC1CC1)c1nnc(Cc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1712887379 FDJFMPSYUIMKBI-UHFFFAOYSA-N 426.496 1.997 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1722309016 UKJSMRXPGQXNPL-KRWDZBQOSA-N 449.581 1.310 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1722309021 UKJSMRXPGQXNPL-QGZVFWFLSA-N 449.581 1.310 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1722332358 JMUDVIFBTPCZDC-WOJBJXKFSA-N 428.581 1.718 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1722358279 FTDVMKJBPJULGW-INIZCTEOSA-N 432.546 1.965 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCO[C@@H]2CCOC2)CC1 1722433433 VDFOOYRFFDOGDE-OFNKIYASSA-N 447.580 1.270 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1722559659 DMSFLYDVVITIFO-QKLQHJQFSA-N 439.582 1.773 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722701191 JCAHLNPRHFCDPH-QGZVFWFLSA-N 426.521 1.164 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1 1722733660 ZWTTXOOQMJWZHM-UHFFFAOYSA-N 445.545 1.362 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722736767 HPTPCUVLBIJFGO-UHFFFAOYSA-N 444.627 1.196 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1723604409 PTAFKRJIBKAKDX-VXAPJYQHSA-N 441.536 1.712 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCSCC1 1723940419 BZEDFQUKXVGSGZ-CRAIPNDOSA-N 441.627 1.067 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1724018468 SALXFSXSINDCFY-IAGOWNOFSA-N 428.468 1.640 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3(C)CN(C)C3=O)CC2)c1C#N 1725866093 ZHAJQULPDFVVBF-QFIPXVFZSA-N 439.568 1.294 30 10 IDEE Cc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726412425 FLPOZYRABFCYPY-ONNQFXDFSA-N 426.452 1.830 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726937699 QNWAOXWOCAXTES-APFMSCDFSA-N 443.552 1.671 30 10 IDEE COC[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730453081 DXHSJRLFKWSKJB-QZTJIDSGSA-N 447.547 1.923 30 10 IDEE COCC1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1730577599 YYSHZGLBNSVBSG-IDYLYPCZSA-N 444.536 1.909 30 10 IDEE COCCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1730711298 SDILQORMTZTZBF-QGZVFWFLSA-N 442.520 1.664 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1731179485 CLYKTRWZKSXMIB-DNVCBOLYSA-N 436.442 1.533 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1740618676 AKDHDDBQOCKDNE-WBVHZDCISA-N 446.529 1.583 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1740619824 LQBQAPSWNCDZAT-KRWDZBQOSA-N 439.545 1.549 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC1CC1 1740680402 ADYWIUJAHDFPFT-UHFFFAOYSA-N 435.326 1.648 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC(C)CC1 1740684399 PXQOIECVRGQKEM-UHFFFAOYSA-N 428.537 1.824 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)c2nccs2)CC1 1740692578 MEUQAVIUCADVHZ-UTKZUKDTSA-N 430.578 1.946 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)CC1 1740697641 AXTVZTJUSXSBFH-UHFFFAOYSA-N 448.575 1.434 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nnc(C)s2)CC1 1740699745 RONPHSHPBZCUQO-UHFFFAOYSA-N 427.509 1.960 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCC(N)=O)CC1 1740750709 TXQQBLKVRSNFEK-AZUAARDMSA-N 444.580 1.977 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCOCC1 1740891228 VVVYRTWKCUARIQ-QGZVFWFLSA-N 448.593 1.391 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(=O)NC)C1 1740979183 HTGALTWXSPEWKW-CQSZACIVSA-N 430.509 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(COC)CC1 1740994157 JRQSJYIOMDURBQ-UHFFFAOYSA-N 436.582 1.603 30 10 IDEE CN(c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1747633605 MYRKMWYOTGVSTC-UDJKBAMHSA-N 427.509 1.525 30 10 IDEE CN(CCC1CC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747905293 HDGXTFJYTHCJDH-ZPHPHTNESA-N 427.509 1.277 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1748802931 UGOAHMIPCGNMBL-AWEZNQCLSA-N 429.493 1.186 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(N(C)C)nc1 1748917189 PJMBFJAXAUHVIZ-UHFFFAOYSA-N 428.504 1.890 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1748929185 GDKSCIDJXSDQHQ-HNNXBMFYSA-N 438.579 1.078 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1748988697 KPQMQZRRMQPNJK-LJQANCHMSA-N 437.497 1.457 30 10 IDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749629925 FFRGCVUPNXJMJG-ZDUSSCGKSA-N 428.447 1.865 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccn2)CC1 1749676475 RJDDFTYPRPIXLN-UHFFFAOYSA-N 439.549 1.053 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)c2ccccc2)C1 1749705539 IXYSBGWOOPAYDL-GOSISDBHSA-N 442.545 1.934 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1749727548 XERNMLZQDCHEOW-MRXNPFEDSA-N 445.501 1.046 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1749736259 HJJJSLBFUKZKSE-GOSISDBHSA-N 449.552 1.714 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1CN1CCOCC1 1750058389 BHCFNKBMSNUTAL-GOSISDBHSA-N 439.564 1.893 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cccs1 1750154111 GQRYRBJZJMYRIN-ZOBUZTSGSA-N 446.533 1.222 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1752389081 VCPNPMKVMWKNDL-OAHLLOKOSA-N 431.456 1.909 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760118100 YAEDITYBNUIFBE-TXPKVOOTSA-N 445.545 1.530 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1760179194 OONKRBCAYFBKPK-INIZCTEOSA-N 447.586 1.559 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2oc(CC)nc2C)CC1 1760268529 LIVVLBVZVJAAJJ-UHFFFAOYSA-N 436.520 1.552 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)c2ccsc2)CC1 1760273329 PGAKVLYXIAGAGM-NRFANRHFSA-N 431.562 1.750 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCNS(C)(=O)=O 1760320667 YSSNPZOAOXLMKO-MJGOQNOKSA-N 449.577 1.920 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760349159 BOZBUVJELLBYGX-QFIPXVFZSA-N 448.568 1.068 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760356247 IZGKFJVSDRLPQI-HTAPYJJXSA-N 446.552 1.927 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760517511 OMGBVKIQMOCWSW-MRXNPFEDSA-N 448.474 1.954 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1766245286 RKKSIEBJGNIDDF-LJQANCHMSA-N 426.521 1.975 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1770156677 KTAQCJUWFMDGMM-GHTZIAJQSA-N 440.548 1.637 30 10 IDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1771015919 YCUDBBIPDRDDMM-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCOC2)c1 1771343773 KTCDOPZBSXQJLA-DOTOQJQBSA-N 431.518 1.504 30 10 IDEE CN1CCC(N2C[C@@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)CC1 1852496586 CVUPSESDYXBRDR-LBPRGKRZSA-N 438.472 1.190 30 10 IDEE CC1(C)C(=O)N(C(=O)Cc2cccnc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1854454956 USUFXWHFZGQIDV-UHFFFAOYSA-N 446.916 1.987 30 10 IDEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCNS(C)(=O)=O 1860941260 ZIVGZHOQOJSLFN-MSOLQXFVSA-N 433.615 1.535 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCC(N(C)C)CC1 1870548038 RWMGVYHGLJKWKL-NRFANRHFSA-N 446.592 1.577 30 10 IDEE COc1cc(OC)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1OC 1890313945 NOHQKMPUYBOXTH-UHFFFAOYSA-N 445.560 1.584 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 2054338517 CZIXOHWWVBCEIR-UHFFFAOYSA-N 436.332 1.398 30 10 IDEE C=CCn1ncc(N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106019371 GXOVXMZOEQJHBL-NSHDSACASA-N 429.315 1.974 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124540468 ICBLNAHBSJHTOH-ZFWWWQNUSA-N 448.329 1.332 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H](CO)C1 2141667056 DVTVABUSFRPPLF-XLOAEROZSA-N 447.341 1.985 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243388411 ASPZRUHIGDTCSG-NSHDSACASA-N 427.332 1.058 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)n1 2243388507 LHWPGGSLBZAKQJ-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE CC(C)(C)OC(=O)NC12CC(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(C1)C2 2248443968 UAOOICYHJUTGRI-UHFFFAOYSA-N 436.343 1.645 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255545561 RZNCMYXSTPNJFZ-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE COC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255631525 ADIKSCQDGWWVEH-UHFFFAOYSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2255706877 PEIPDXBUCWUGNA-CQSZACIVSA-N 436.314 1.633 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2255820029 KKJFGUWDTUNPEY-HUUCEWRRSA-N 434.346 1.895 30 10 IDEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255827700 LODWYVSQYLZCCI-UHFFFAOYSA-N 434.346 1.721 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2267266629 QTFUSFYASMQRCG-MRXNPFEDSA-N 444.341 1.909 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267519174 GLKPVLGLVJCRNY-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2267545623 LURBBXWVEAQNBR-KBPBESRZSA-N 449.361 1.538 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 2267546054 QULPWHSSHITFDL-ROUUACIJSA-N 437.353 1.318 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267588019 GCBYRJKFLHWMIP-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880547 UTQZVROSDPSWAR-VXGBXAGGSA-N 442.247 1.447 30 10 IDEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2317500973 AJYPSXBZUZEJCO-CABCVRRESA-N 435.330 1.203 30 10 IDEE COc1[nH]c(=N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317504031 UWLFSSZTSKECBL-GJZGRUSLSA-N 435.330 1.515 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322316100 ZUJYVLUMULHXJS-ZIAGYGMSSA-N 437.321 1.984 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)/N=C2/NCCS2)C(C)C)c1 2647623 CNDBFWAROCCTTA-MRXNPFEDSA-N 440.591 1.691 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 105278696 QJIQWNHFUCYAPJ-KRWDZBQOSA-N 433.468 1.426 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccnn2-c2ccccc2)c1=O 447776580 JFLPGWJILVYVBL-UHFFFAOYSA-N 433.537 1.701 30 10 IDEE Cc1nn(CC(F)(F)F)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 477494838 RXBAWBFIFZZYNS-UHFFFAOYSA-N 441.435 1.772 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](CC)C1 508741632 YSWADQGKBKCZQD-QGZVFWFLSA-N 437.548 1.925 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 523306252 XOECZHWGYBLHIQ-CQSZACIVSA-N 445.522 1.931 30 10 IDEE C[C@H]1C[C@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1C 532590298 PSQGMLWTJZYEES-DLBZAZTESA-N 426.521 1.869 30 10 IDEE CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 533297460 NOGNPEZPPCIDGV-MRXNPFEDSA-N 441.557 1.790 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)CC1 537043071 QTOQGHRWVCQMJW-SFTDATJTSA-N 429.609 1.793 30 10 IDEE CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2cccc(C#N)n2)CC1 544879245 TYIKPDYUJKUUBG-UHFFFAOYSA-N 426.908 1.826 30 10 IDEE N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCC1 546801190 CLADOBPJWLLJCO-UHFFFAOYSA-N 433.577 1.272 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccn(C)c2=O)CC1 549690991 QIKRGQVUMUKVSA-UHFFFAOYSA-N 428.541 1.193 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)cc1 549869110 YHGZOPHAFODCGO-LEWJYISDSA-N 438.532 1.739 30 10 IDEE C=CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC1 561412872 HJMQWPGAZNNVHR-UHFFFAOYSA-N 449.393 1.860 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 570671048 QBJXYJOERPFAMN-HXUWFJFHSA-N 425.449 1.854 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 579650304 AZIMWVRHBZUDIR-UHFFFAOYSA-N 448.451 1.099 30 10 IDEE COc1ccc(CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)c(OC)c1OC 582031891 FYMRXUOVMIHOMG-UHFFFAOYSA-N 432.502 1.486 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C[C@H]1CCCO1 603797777 HCDMZMLRVVGQNR-QGZVFWFLSA-N 445.541 1.036 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 603798808 OBOJJRHDVKRQFD-MRXNPFEDSA-N 427.526 1.125 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1 609001916 ZAVUPPFCLAKKKK-GOSISDBHSA-N 426.521 1.202 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670211002 HFKACUUWJFPMHA-FXAWDEMLSA-N 445.612 1.761 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730140336 JZPOGLBNUIZNKO-AEFFLSMTSA-N 447.605 1.827 30 10 IDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C#N)c(Cl)c1 730144618 OXQNIGBZJZUXTJ-INIZCTEOSA-N 437.953 1.857 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)CCN1C1CC1 732705723 FGIQLNJIGNQDDX-CQSZACIVSA-N 433.394 1.423 30 10 IDEE CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 732707728 FDSTUJIZPYSOLN-INIZCTEOSA-N 431.924 1.959 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cn1 734601307 QSSLBZQWDRODRJ-MDWZMJQESA-N 440.481 1.255 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C(N)=O)c(SC)nn2C)ccc1F 746408639 QXNDGKCLKHNZQG-UHFFFAOYSA-N 427.483 1.097 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1Cc1ccccc1 752194755 QLVFHJUQVDCDBR-UHFFFAOYSA-N 436.562 1.782 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(C2CC(F)(F)C2)C1=O 757916534 WIFPVDGQXKBRPD-PHFYZZCHSA-N 439.532 1.790 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(OC)CCC2)cn1 779755463 LUAIFUGVHFAUEI-MRXNPFEDSA-N 436.582 1.472 30 10 IDEE C#CCCCCCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 780386016 MQYPCRYEGQALEY-UHFFFAOYSA-N 440.587 1.815 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)Nc1ccc3c(c1)OCCO3)C2=O 916963605 UHXPVLVLHRGEHZ-NXNIQBKKSA-N 440.456 1.606 30 10 IDEE C=CCNC(=O)[C@@H](C)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919207815 RXIZERVLTLGBLW-LLVKDONJSA-N 447.307 1.036 30 10 IDEE CCOc1cc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)ccc1O 1084392491 OXBBUMWUTRIKRT-UHFFFAOYSA-N 431.478 1.544 30 10 IDEE Cn1ncc(I)c1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1132691058 RZDMXZNFXMYMAY-LBPRGKRZSA-N 449.252 1.566 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1135006462 UALWKYZQCXUFIQ-UHFFFAOYSA-N 445.501 1.527 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)C(=O)OC(C)(C)C 1135915187 BDXJMCGDVBILFL-UHFFFAOYSA-N 429.517 1.972 30 10 IDEE C=CCc1cc(CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)cc(OC)c1OC 1136460744 MGZMKHUFGKBQOS-UHFFFAOYSA-N 437.493 1.947 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1138185667 PVTHXHWTWUMGJX-CQSZACIVSA-N 433.486 1.495 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1152042684 QYQIBNUWSUBWTL-UHFFFAOYSA-N 439.559 1.131 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(C#N)s1 1162249561 RYEHYQFQUGSMJD-MRXNPFEDSA-N 441.556 1.018 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)C2)c1 1168643397 VKBPHVBXEIIRQW-YVWYTEFXSA-N 443.507 1.984 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)s1 1178596995 ACQUIYLFMHWSRE-DJIMGWMZSA-N 444.575 1.176 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(N)=O)oc1C 1194813544 ODIFJRPTRXJINK-UHFFFAOYSA-N 425.507 1.710 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CS1(=O)=O 1252736111 HJUKMNBMVZLTEO-ZIAGYGMSSA-N 433.490 1.604 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1286324618 QGGIZOQDLAOMMC-HZPDHXFCSA-N 427.596 1.356 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286382976 URFOCBBWCALXQM-GOSISDBHSA-N 447.536 1.425 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1286408070 ASBMFXZPDDMMKO-XMMPIXPASA-N 448.527 1.535 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1nncn1C 1286417104 WMMFPOSCIHSIIB-UHFFFAOYSA-N 440.305 1.869 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)nc2)CC1 1286489753 AUWXELJNPFZNJJ-INIZCTEOSA-N 441.923 1.292 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286787942 MSDQWEYMEIEYBC-GJZGRUSLSA-N 443.520 1.354 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)NC(C)C)C1 1286810369 QAMMHBMATSJJOW-SJORKVTESA-N 427.571 1.629 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(N)=O)CCCC2)C1 1286811277 AVZKLILBMSVPQI-GOSISDBHSA-N 427.553 1.967 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1286832423 STBYUXVPSUKFAU-LSDHHAIUSA-N 447.652 1.472 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1286954179 HMIVAFITKYFEEV-UHFFFAOYSA-N 437.548 1.787 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1288355243 YHWUCYQJHIVCRB-IBGZPJMESA-N 433.530 1.973 30 10 IDEE N#C[C@@]12CN(C(=O)c3occc3CS(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1289200915 BVSXSHDIBWKSBD-KXBFYZLASA-N 434.495 1.264 30 10 IDEE CC(C)NC(=O)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1290221383 NIDHSBMJGFROBS-UHFFFAOYSA-N 448.365 1.426 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3csc(I)n3)CC2)c1 1290527193 RRMRAADVYYELNY-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1294976025 HTLWWCKLQPTHAK-UHFFFAOYSA-N 430.505 1.830 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1299434588 CRTKNDFYPBONRK-UHFFFAOYSA-N 444.517 1.282 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)c1 1299951390 HIVAUNKQCGSGCO-OXQOHEQNSA-N 442.520 1.412 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1300268899 WVXSFJOFQKBNCT-ZDUSSCGKSA-N 438.579 1.223 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1n[nH]c(C)n1 1300280741 AMZASJLAUUNJSP-AWEZNQCLSA-N 442.549 1.323 30 10 IDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300358068 HOJIEKBTEVRLBC-SFHVURJKSA-N 446.577 1.708 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1300501390 LKEFUTTYFDPGBD-ROUUACIJSA-N 447.586 1.953 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300501684 NAXOXXZCSIZRRO-MSOLQXFVSA-N 449.602 1.686 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1300556863 NQNGVXGAVPIGPP-VIQWUECVSA-N 435.594 1.947 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cn(C2COC2)nn1 1300561241 MOVXTIQEJXABHT-UHFFFAOYSA-N 447.499 1.636 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300574641 DYPGYFHMJCPDEN-UHFFFAOYSA-N 437.504 1.492 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC 1300578964 KTHOBWZQXIJHOP-UHFFFAOYSA-N 445.527 1.664 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1300863416 NWTYLMBQSNFHLF-IHRRRGAJSA-N 428.331 1.612 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1300891355 KHPLWYQSYHGTGX-WIYYLYMNSA-N 444.580 1.686 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300988919 LHBQJCCFLDZWIK-SJORKVTESA-N 444.540 1.644 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301189404 VSZRDMXWRCMTDY-MOPGFXCFSA-N 437.610 1.838 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1301980363 BOCZYJLRFOQRHP-SOUVJXGZSA-N 429.529 1.821 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCS(C)(=O)=O 1302682035 YWACQVLVDNKSLA-UHFFFAOYSA-N 447.565 1.056 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCOC(F)F)cc1 1302993562 DTAJTGNKOVDEIO-OAHLLOKOSA-N 447.446 1.572 30 10 IDEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1306466942 NFUTUAXDFSKRRE-ARJAWSKDSA-N 433.516 1.710 30 10 IDEE C#CC(=O)NCCOCC1=C(C(=O)OCC)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N1 1306600196 GPVOMFDQJSUVIL-HXUWFJFHSA-N 426.469 1.404 30 10 IDEE O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N(O)Cc1cc(Cl)cc(Cl)c1 1306894762 XHZNSODQPCYCOY-ZDUSSCGKSA-N 434.301 1.877 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)C1 1314925914 DOUPFYKKBVIOCX-DENIHFKCSA-N 426.521 1.411 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1315103049 LUNFHNNOIRMOMP-ZHRRBRCNSA-N 438.488 1.206 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1316357076 SKXMPESKGNLSDQ-INIZCTEOSA-N 444.561 1.761 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(F)F)C1 1316568671 XTYLASBKDCFFTM-YVHOPFRJSA-N 436.463 1.790 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CC2)c(F)c1 1352239102 SAWUAXOOXQIVDG-HNNXBMFYSA-N 448.545 1.947 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358955745 SOZAIRYCBKBTBB-AWEZNQCLSA-N 447.483 1.483 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N(C)C 1359004017 FZGKMWFSFMBOQH-UHFFFAOYSA-N 425.942 1.958 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)c2ccco2)CC1 1359037343 GIHCABFBYFWAKK-NRFANRHFSA-N 426.546 1.890 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@@H]1CC 1359082590 NHAVQEOBNXXXIW-LBPRGKRZSA-N 437.298 1.629 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1359216401 VWHMIJRUBDBOPA-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359334000 QIFNKMUAUBFYSS-UFRUDQCGSA-N 431.562 1.462 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 1450274055 UTRPXAFACPAYMB-MRXNPFEDSA-N 425.413 1.876 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1453798615 CBDRYJRBUPIOET-CQSZACIVSA-N 430.534 1.377 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)C2)nc1 1456060599 JFGKALJYULHHHO-SFHVURJKSA-N 428.514 1.365 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2)c1cc[nH]n1 1456440249 CZMCRKCXOJDUQZ-UHFFFAOYSA-N 443.460 1.258 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1457404765 KRBJQHAIQBVLMT-FUHWJXTLSA-N 436.530 1.441 30 10 IDEE C#CC1(O)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)C1 1460906510 ZDZVGCAFCHUNMS-UHFFFAOYSA-N 435.546 1.267 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1466509324 IAXSYJWAHFPNNL-ZIAGYGMSSA-N 437.497 1.455 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 1468990022 HDVOLCAEYGMYMV-QZTJIDSGSA-N 426.542 1.958 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)C(O)[C@H](C)C3)nnc12 1472597731 UICNTCRKHIZJRP-ZIAGYGMSSA-N 427.530 1.798 30 10 IDEE C#CCC1(O)CCN(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1479381367 KRANKKBONJIGDD-KRWDZBQOSA-N 449.548 1.879 30 10 IDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1501333247 QOEGUJSPQDEZSW-UHFFFAOYSA-N 444.561 1.640 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1502424414 JCWMKRXXXFUBII-IBGZPJMESA-N 437.548 1.501 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)CC1 1502495684 PVPPXOCKOYDQCV-UHFFFAOYSA-N 428.493 1.758 30 10 IDEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1503569449 GMJTYRHCSFUQQJ-GOSISDBHSA-N 425.461 1.458 30 10 IDEE CO[C@@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1504046509 GDLKFLIHNGZKOY-MGPUTAFESA-N 448.549 1.202 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507519408 ZXGCHROXHSZGLJ-ZNMIVQPWSA-N 442.586 1.602 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2nncn2C)c1 1507549998 DETKMAOGXXXYFN-UHFFFAOYSA-N 441.499 1.497 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507622093 BCRAODBKSOPACJ-KRWDZBQOSA-N 433.509 1.230 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CCOC2)CC1 1507722520 ZEGPFYOIQNLJMJ-HYBUGGRVSA-N 439.560 1.942 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507782812 ASKFFXUASNTSOA-MCIONIFRSA-N 429.315 1.789 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508077650 PIYJWUOIGZDGCC-UHFFFAOYSA-N 429.525 1.733 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCN(C(C)=O)CC1 1508095857 XMYIXCMKFKVXHQ-UHFFFAOYSA-N 435.532 1.642 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C#N)o1 1519319622 MKAZWVCJZOWKPR-RDJZCZTQSA-N 425.493 1.692 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1519505473 BAYAHVDJQSKUQY-RZQQEMMASA-N 449.508 1.330 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1531097499 AUMVXTQWFJAVCT-INIZCTEOSA-N 426.336 1.890 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](n3cncn3)C(F)(F)F)C2=O)cc1 1531883505 XKJAOWCIYVLNGR-KGLIPLIRSA-N 435.366 1.275 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(CC(F)(F)F)C(=O)C3)CC2=O)cc1Cl 1532023691 KPUGNJZSAJWVBQ-LBPRGKRZSA-N 428.798 1.798 30 10 IDEE COc1cc(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c(F)cc1C#N 1533716863 GRAZRBSEVZQQNI-UHFFFAOYSA-N 435.213 1.551 30 10 IDEE CS(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1Br 1537679920 PSDIKAJHGSCAMF-UHFFFAOYSA-N 425.264 1.703 30 10 IDEE N#C[C@@]12CN(C(=O)C[C@@H]3C(=O)Nc4c(Br)cccc43)C[C@H]1CS(=O)(=O)C2 1538310503 YIJQJULBMLYCTQ-ZMNCSTGQSA-N 438.303 1.272 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1538961872 DCZITWXUTABMGA-LJQANCHMSA-N 436.560 1.853 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1539215604 GXBOKNUPZLXUGG-INIZCTEOSA-N 430.559 1.610 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539219162 BFCSLKFDWHWEDX-QGZVFWFLSA-N 442.607 1.387 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1539222126 TURIMBPSZCLGPJ-SJLPKXTDSA-N 445.520 1.352 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539264955 ALYQHADQWJUCSW-QFIPXVFZSA-N 433.556 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 1539429845 CWBFGIAVWWWBCN-UVDDSOTQSA-N 449.621 1.375 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)CC)s1 1539555597 WIEDUHCJMWIENP-GXTWGEPZSA-N 431.605 1.571 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1539954038 YIVQMALDADHYDR-SQNIBIBYSA-N 440.614 1.402 30 10 IDEE N#Cc1cn(CCC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(=O)nc1O 1540763346 GQYVNBGIZAEBHB-UHFFFAOYSA-N 449.389 1.214 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CC)C2)C1 1540883688 CVWLNFGGPUAHGT-BRWVUGGUSA-N 426.587 1.011 30 10 IDEE CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1543195140 CSQWBJMAPFPIIT-HGNXGAGXSA-N 444.579 1.546 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1545705845 HGJVEWAQKCTSGG-MRXNPFEDSA-N 439.520 1.360 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(OCc2ccccc2OC)CC1)c1cc[nH]n1 1545804651 YGGUKNHSYYFHQZ-UHFFFAOYSA-N 444.488 1.910 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)CCn2ccnc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367833 QKEQYCOCCINHMX-QGZVFWFLSA-N 434.422 1.627 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1554149865 BIQNGBKLFXCUPG-PXNSSMCTSA-N 447.586 1.556 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1555715528 DVMJBOLVIKSRAZ-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1555993471 OVFSNTJFIUTWNS-LBPRGKRZSA-N 431.382 1.515 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c1 1557483296 BFDHFANHBVSIMZ-HUUCEWRRSA-N 437.461 1.531 30 10 IDEE COC1(OC)CCOC[C@@H]1NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1557585871 IFAJDEOAXGKRER-RDJZCZTQSA-N 439.534 1.034 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1559042208 OXSOXXKTCAPIRB-OIISXLGYSA-N 434.518 1.493 30 10 IDEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1561531392 GQBJFVFVUYTVIG-SFHVURJKSA-N 448.545 1.445 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1587870307 ZBZUFYJFMBUQSJ-UHFFFAOYSA-N 430.516 1.498 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1588059459 OOMSKNARBHNDQL-IEBWSBKVSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNc1ccccn1 1588110112 VLXYYSCUBRBJMD-UHFFFAOYSA-N 438.499 1.891 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1588162737 ZNJRJNIKLJZPGD-UHFFFAOYSA-N 426.480 1.857 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1588245182 USOMUQRPMFRRRU-GOSISDBHSA-N 443.397 1.967 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2CC2(O)CCOCC2)n1 1588724288 WWEVLESOALGVJQ-UHFFFAOYSA-N 428.537 1.570 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOCCCO)CC1 1588907688 DEKCJVIYRILLNW-UHFFFAOYSA-N 445.951 1.963 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1593682788 CDIUMRSHLHTPCE-QFIPXVFZSA-N 434.585 1.497 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1594625083 DDOCWWIDORSAQK-HZPDHXFCSA-N 430.596 1.550 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1594753178 ZJKPPWDBLQNJHA-KRWDZBQOSA-N 436.582 1.371 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595477692 XREVWYODHKZVIK-NYHFZMIOSA-N 442.495 1.576 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1595550657 GQKVQDOQSOXRJP-CRAIPNDOSA-N 440.504 1.185 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595556550 XPKYKRNBKMNTGO-MSOLQXFVSA-N 426.496 1.558 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1595658975 OWWLTAOHALFHIS-MJGOQNOKSA-N 427.505 1.346 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595688667 MDJJVYDOTYBUJK-RXVVDRJESA-N 448.545 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1595822646 IJJPIJQVTYOEAX-HKUYNNGSSA-N 443.529 1.697 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1612472284 NHSBZPVSZBATSZ-XMSQKQJNSA-N 442.568 1.777 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCCCCO)n1 1612501129 CKQWEZRGZUBCDV-UHFFFAOYSA-N 449.563 1.896 30 10 IDEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCC1 1619643072 JJFMOGTXUCLKDA-UHFFFAOYSA-N 439.520 1.768 30 10 IDEE CS[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1620197602 GIBOYEHMUFPWGH-RRFJBIMHSA-N 441.565 1.357 30 10 IDEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1620291710 YIKXFQCQFGHQMS-UHFFFAOYSA-N 439.589 1.970 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)C1 1620346415 AQAIMIVASUKLLV-DNVCBOLYSA-N 425.530 1.971 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)CC1 1623498777 DDMSSNNSDXXHQZ-UHFFFAOYSA-N 446.573 1.549 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 1623762692 SLWMXLVGHBCRFU-GOSISDBHSA-N 447.557 1.896 30 10 IDEE COc1cccc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnn12 1624067070 BXCMXZPLPGWAGE-UHFFFAOYSA-N 425.470 1.361 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3cccc(C#N)c3)CS(=O)(=O)[C@@H]2C1 1625327166 GKFRKJVFCGEATA-KZNAEPCWSA-N 433.530 1.845 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(S(=O)(=O)NCC)c3)cc2C1=O 1626120041 YPKLAMNLUSVOKD-UHFFFAOYSA-N 427.482 1.697 30 10 IDEE CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)S(N)(=O)=O 1626285728 VLBDTPPCOUZYAF-HGSNWSKYSA-N 444.579 1.675 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CC2)c(F)c1 1626466306 CBTAHXDLTFTYPY-LJQANCHMSA-N 426.448 1.633 30 10 IDEE C=C[C@](C)(O)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1630401678 KYNMUOSCIMOJSL-MSYCTHLASA-N 443.500 1.756 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)n1 1632090669 SVIPJFGRSQYAII-GFCCVEGCSA-N 444.608 1.703 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)ccc1F 1637029562 CVURVKCGLDWBKC-HXUWFJFHSA-N 433.461 1.250 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCS(=O)(=O)CC1 1637816083 CVMDCAYDPKVPER-GOSISDBHSA-N 448.541 1.995 30 10 IDEE CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1641401470 VLLAVHBOQORGDQ-OAHLLOKOSA-N 437.518 1.074 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CCCNC(=O)c2cccnc2)c(=O)c1C#N 1641513350 AJIIFNNRJBUUOE-UHFFFAOYSA-N 432.278 1.775 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1641674921 NMRSEXZTAYYPGP-BZUAXINKSA-N 430.571 1.940 30 10 IDEE CN1C(=O)[C@@H]2CN(C(=O)[C@@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C[C@@H]2C1=O 1642843994 HETRTXNGXFUDPM-KSZLIROESA-N 438.484 1.466 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1650972865 XGQCRNBUALDGIQ-QGZVFWFLSA-N 432.498 1.951 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 1651581339 BXQXGPIPUYFPMX-QHCPKHFHSA-N 448.435 1.554 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 1653421994 YTNUDCWOVUCVIC-OAQYLSRUSA-N 428.558 1.697 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1689979670 FXPKCLPLDIFOMQ-MOPGFXCFSA-N 437.610 1.385 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988463 PNEHICLKMARERD-SCTDSRPQSA-N 444.561 1.423 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(-n2cncn2)c1 1689998673 SRWYCJAVEBJUAB-UHFFFAOYSA-N 430.516 1.898 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(CC)C1CC1 1690005809 CZKYLZLKPBWZGD-UHFFFAOYSA-N 425.558 1.906 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1690015730 WEZPVEKORXBQHU-YLJYHZDGSA-N 432.528 1.879 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1690054980 KZTYDAZSEZTNIW-KRWDZBQOSA-N 430.505 1.894 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2=CCCOC2)n1 1690109530 VJOPMYOBJAJXQU-UHFFFAOYSA-N 436.520 1.508 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)CC1 1690123947 AMBPTDKLWOMSOT-GOSISDBHSA-N 431.537 1.317 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1)c1ccccc1 1690322145 WPSPMEAFNWBIAF-IERDGZPVSA-N 444.561 1.461 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1690565185 CJTWRWFOBXZNPM-RBUKOAKNSA-N 432.546 1.788 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(F)(F)F 1690668669 DVEKDJWOQYKRMR-UHFFFAOYSA-N 445.471 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690726492 BVNKBRYFXQYFMH-MRXNPFEDSA-N 435.575 1.342 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690743949 HPUCLOZBBFBHAG-IRXDYDNUSA-N 441.623 1.452 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1695894115 CMTKFNLNVFKBSY-WOJBJXKFSA-N 431.585 1.319 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1695937415 HOTLQKXEJFRSBE-UHFFFAOYSA-N 433.520 1.873 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1696450703 GSEZLFQPBWHELK-UGKGYDQZSA-N 427.505 1.600 30 10 IDEE COc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc(C#N)o1 1697577859 XCIUYDIMESGCMA-UHFFFAOYSA-N 429.502 1.871 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1705490172 DEWCENNJOJTCCI-HNNXBMFYSA-N 435.532 1.812 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1705835465 LODUHXPWFFICEE-HXUWFJFHSA-N 435.550 1.509 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939574 ZWBGKQFAZOSVPT-XLIONFOSSA-N 442.582 1.535 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1711149539 GKPCFSMUCVLTMW-GOSISDBHSA-N 444.561 1.715 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1722358070 DGBQQVCIIVHLEV-OAHLLOKOSA-N 427.596 1.186 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)Cc1cccc(F)c1 1722359883 WVJXLZDUIWQHGO-PXNSSMCTSA-N 429.496 1.570 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3ccccc32)CC1 1722431543 MMPVLNZHRQETRU-MJGOQNOKSA-N 442.589 1.374 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(Cl)nc2)CC1 1722432537 ASEZVCJUPFJCNR-NRFANRHFSA-N 430.940 1.782 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1722493575 IUNQDSCHTVCCDM-RTBURBONSA-N 448.612 1.945 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1722522373 MGFOVSSCZOVJEK-OALUTQOASA-N 434.585 1.759 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722538523 YJNQGJONADGFRO-SJORKVTESA-N 427.571 1.630 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722608710 KVFAZAKOSNWWQH-BXWFABGCSA-N 427.571 1.629 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722671592 YKAJNHCVQRRCAU-CABCVRRESA-N 428.459 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722727669 PRTWKYQBRQJQOQ-AWEZNQCLSA-N 449.499 1.651 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722858149 OBLBTXWPUFHCHO-GOSISDBHSA-N 436.476 1.612 30 10 IDEE COCCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1730693828 ZZLQLWGVOUGXAL-UHFFFAOYSA-N 429.525 1.714 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1730869042 LMDOISBQIMAQLL-NEWSRXKRSA-N 432.569 1.994 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](n4cncn4)C3)n2CC(=O)NCC(F)F)cc1 1731180848 IFOPXCCKLZPUEJ-INIZCTEOSA-N 441.446 1.631 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2OC(F)F)CCO1 1731186882 HQBJPEZMEIPUJX-INIZCTEOSA-N 446.458 1.973 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1740549062 DGHSJMPUDFKHBN-PKOBYXMFSA-N 442.589 1.990 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)N(C)C 1740601611 GISYOLBCMSSALE-UHFFFAOYSA-N 426.340 1.668 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1740622615 ZSMYKWAOEJHWRN-SFHVURJKSA-N 444.605 1.785 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740622835 JIJGZAMQGPVZDC-INIZCTEOSA-N 431.518 1.195 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740623200 PURWZPPUYJKABU-QZTJIDSGSA-N 429.546 1.702 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1OC 1740668993 IGVIKTXPVAFBBW-FUHWJXTLSA-N 446.577 1.749 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CC1 1740680993 VJQLVXHGJKTKDT-UHFFFAOYSA-N 433.490 1.517 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1740716974 GBLZIMFOWPKBLD-GOSISDBHSA-N 434.587 1.546 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740782530 UQUXOBSOXFHQFM-AWEZNQCLSA-N 449.499 1.651 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740865412 UCXPCVDOWBBFPV-RXVVDRJESA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1740963370 IPQMVBZMFXDLSI-HXUWFJFHSA-N 440.596 1.754 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccs2)C1 1740972744 MJVMQVQJSCSLGO-GJZGRUSLSA-N 425.580 1.974 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1741634352 ZQWKIFVOBJSFTC-UHFFFAOYSA-N 447.499 1.631 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1748638813 WWYMWULHAZSBAI-QGZVFWFLSA-N 446.515 1.663 30 10 IDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748713303 RCPGMWVAQXPFTI-UHFFFAOYSA-N 435.532 1.379 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)N(C)C 1748790361 XMSRHBZEBAAUDJ-ZWKOTPCHSA-N 432.569 1.996 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 1748801893 IWQZBMLRJBJCTG-KRWDZBQOSA-N 426.546 1.898 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749133983 SLHGSCGPUPUGTA-AOIWGVFYSA-N 431.562 1.863 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCS2)CC1 1749302978 CHYLJKNMUYSIBA-HOTGVXAUSA-N 427.596 1.663 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1749368160 CJWODPUEPBWKGW-DLBZAZTESA-N 441.598 1.829 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749401706 CPOKHAOZDHZCNH-OAHLLOKOSA-N 432.550 1.193 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749450855 VXRYFNBMHQOCLE-PMACEKPBSA-N 446.596 1.654 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749629877 JVMJMDSHYNTYSK-CYBMUJFWSA-N 435.472 1.261 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CCCc2ccccc2)nnc1N1CCOCC1 1750418604 KETCXOVMZYMFOW-DQRAZIAOSA-N 436.516 1.816 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1751017280 LOUWDRORILTLGF-NJNPRVFISA-N 433.553 1.989 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1751023893 WRFHWWNZPIBJGV-AKXBSKNESA-N 444.536 1.834 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@H]1C 1751985210 AZVWRXISFDJPAW-SEPYTNNBSA-N 438.532 1.947 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760102238 GMLSBDBNWPPZNW-YJYMSZOUSA-N 440.472 1.554 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1760117315 NXBFUNBYYFNIAU-QFBILLFUSA-N 447.561 1.434 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCS(=O)(=O)NC 1760167701 ZLARLPXJVQOAFG-UHFFFAOYSA-N 446.758 1.980 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1760190555 XNTHWGHEPPQUBA-OAHLLOKOSA-N 441.517 1.269 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)NC(C)C 1760214776 BEFKCUUSZGJZRY-UHFFFAOYSA-N 434.953 1.784 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760373768 BQVPOGAIPFVXJB-OAGGEKHMSA-N 445.973 1.226 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1760526659 QZOVMQNUQIUADY-UHFFFAOYSA-N 437.548 1.809 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCOC1 1760554229 WJSJINRLZJEMSJ-AWEZNQCLSA-N 437.522 1.079 30 10 IDEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cc(CO)nn1 1760934989 FWUYOXFCJQRRLE-UHFFFAOYSA-N 449.563 1.769 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1761546610 BFZGOCCRNXOBFX-QZQOTICOSA-N 446.515 1.920 30 10 IDEE Cc1nnc(N2CC[C@@H](N(C)Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762561542 NJTCZFSARCYJQR-XKXPVHLMSA-N 435.532 1.824 30 10 IDEE CCc1nnc(N(C)Cc2ccc(C(=O)NC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1762865115 UZOMOJDICORWHM-VZCXRCSSSA-N 437.504 1.363 30 10 IDEE CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763122671 OXYWCFZDEOQUGH-VLUKHXRESA-N 441.458 1.440 30 10 IDEE CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H](C)C1CCC1 1764789107 SMPOSNCVDDESTD-QBELJNMPSA-N 441.536 1.771 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(O)CC2)c1 1768525156 YLWVITFJSKXCSW-HXUWFJFHSA-N 444.561 1.850 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1769269504 ZYXXDIOCEYBIRK-UHFFFAOYSA-N 426.521 1.568 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1n1cc(C(=O)ON2C(=O)c3ccccc3C2=O)cn1 1772794309 GYWHTODFXOUJHO-CVEARBPZSA-N 442.428 1.716 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3c(F)cccc3F)CC2)c1 1849851438 CONXYYXRJSTDEJ-UHFFFAOYSA-N 434.468 1.854 30 10 IDEE CC(C)CC(=NOCCN1CCN(C)CC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853461103 UBQFHZQQWDZDOT-UHFFFAOYSA-N 437.566 1.083 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1854288018 ZRIPALKIZPDNGK-PKOBYXMFSA-N 432.546 1.450 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1855697997 JDSVMWJOUQBAAK-QGZVFWFLSA-N 432.546 1.308 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1 1858335359 UESQXZDDDNQTRM-OAHLLOKOSA-N 425.919 1.953 30 10 IDEE CCOc1ccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 1860734553 FWTSKKGKPQSYCF-UXBLZVDNSA-N 432.498 1.683 30 10 IDEE N#Cc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 1866117555 XSWVZZNBGLSSNN-INIZCTEOSA-N 425.401 1.965 30 10 IDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCC(N(C)C)CC1 1870542233 OKXSNCIAZOAZBH-HXUWFJFHSA-N 432.565 1.234 30 10 IDEE CCN(CC)CCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872707496 UNDGOXCJWPXIAC-UHFFFAOYSA-N 432.506 1.581 30 10 IDEE C#C[C@H]1CC12CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)CC2 1892092188 SFBPUCDKJPVWQO-IBGZPJMESA-N 434.558 1.846 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2010027164 UTBZRGLJRFFPSG-GJZGRUSLSA-N 439.509 1.826 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060626553 YCRUBMYYKAXVCJ-OAHLLOKOSA-N 433.314 1.693 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124520999 AUTLFOPXQUHCHI-MAUKXSAKSA-N 448.369 1.919 30 10 IDEE Cc1cc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247928362 BGCMCOXYJCAKDS-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2255538691 ODNJEGPKRCLDEM-OAQYLSRUSA-N 438.330 1.893 30 10 IDEE Cc1c(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255629028 PRCRQPBHJKRJDM-ZHACJKMWSA-N 434.346 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255630851 PNLYCCWHWKDIQY-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2255818466 LNIJNKOGSRQCCE-HNNXBMFYSA-N 434.346 1.752 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2255819053 VAEAGLUPDTZKNF-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255867112 YHBDBXLPYLGETB-DLBZAZTESA-N 432.326 1.696 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256069296 KVWMMZPTLLJUON-KBPBESRZSA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1COC1 2256667653 RFWXEWWEOZIPTJ-INIZCTEOSA-N 433.314 1.859 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267127557 JWXBOCRGCILUPT-YPMHNXCESA-N 444.263 1.391 30 10 IDEE Cn1cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2267129184 YEWHCEMRROJBRP-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267142478 UXKFVVGNYBMXFB-QHCPKHFHSA-N 440.353 1.730 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267265995 MRBLQBDZDUJKTM-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267528574 FUBDVHUIVPNABG-YPENRWOSSA-N 448.329 1.263 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267541268 BGVXENCBKXGTGO-SQWLQELKSA-N 446.357 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 2267544755 YNBLUGNUVYWABV-UHFFFAOYSA-N 447.345 1.197 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2267606511 YRTDIYBFSRFXIZ-KGLIPLIRSA-N 449.361 1.680 30 10 IDEE C[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267873454 YOYCYSYHIGZNMO-RYUDHWBXSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2315565454 OOJOMXPPFJLLIA-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2329175698 BXLCQQOYBDMGFC-UHFFFAOYSA-N 442.457 1.973 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCC[C@H](O)CCO)cc2Cl)OC1(C)C 2379853206 FYGITNBXMNPSCF-JTQLQIEISA-N 425.765 1.112 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 23266163 PMXGXWSVMOMWAQ-QHCPKHFHSA-N 430.549 1.191 30 10 IDEE C=CCc1cc(CNC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1OC 410213873 IALKHQFYFXMOOP-SJORKVTESA-N 425.551 1.949 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 427177730 IOFIUDFWHJWUTF-PKOBYXMFSA-N 434.562 1.328 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 434839977 HRLHWSSQIBIXSP-FQEVSTJZSA-N 428.514 1.503 30 10 IDEE CCO[C@@H]1C[C@@](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)(C(=O)OC)C1(C)C 440875202 MOJHJFDLBCTMTF-OWDMVUQNSA-N 437.518 1.088 30 10 IDEE C[C@@H](Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 444408506 AXLGZBFKKRJEEN-CYBMUJFWSA-N 428.518 1.603 30 10 IDEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1C#N 460589695 WQJIINKFEGPHLD-UHFFFAOYSA-N 431.470 1.323 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3COc4ccc(F)cc4C3)CC2)cc1 461734599 ZPQPSQVJRQGVHA-SFHVURJKSA-N 444.488 1.717 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 462451507 MDCAYBCPKABJTA-UHFFFAOYSA-N 437.305 1.510 30 10 IDEE N#Cc1ccsc1C(=O)NCCN(CCN1CCOCC1)C(=O)c1sccc1C#N 463354042 IDPUMHHIZJZYCE-UHFFFAOYSA-N 443.554 1.757 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC)c(Br)c2)CC1 470557063 UAELVCITVRYUAQ-UHFFFAOYSA-N 446.367 1.456 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 482833780 GTGVVTGTPMLZNF-DZGCQCFKSA-N 434.468 1.898 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 492354288 MJWUVZHPWAXCQV-ZDUSSCGKSA-N 428.302 1.802 30 10 IDEE CN1CCN(C(=O)c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 499515875 CUKYERJETRTQPW-UHFFFAOYSA-N 447.543 1.373 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 503691085 VDFLEDSWMZMSCW-GOSISDBHSA-N 449.492 1.764 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)Nc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506575924 HZFZMDGMQBGTCW-FQEVSTJZSA-N 435.532 1.352 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508809652 MPNDWAUDYSNXLS-KSFYIVLOSA-N 426.473 1.918 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC=C)CC1 508814802 WNPIAFWITIZQCX-UHFFFAOYSA-N 448.369 1.656 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCCO1 514492310 NMHMCVXOYFHRTG-HNNXBMFYSA-N 431.945 1.771 30 10 IDEE COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ncccc3C#N)CC2)c(OC)c1 514749047 KLJNQEMVOBVAJL-SFHVURJKSA-N 426.473 1.310 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(N)=O 524281410 VPJUUNUMMLUIFL-UHFFFAOYSA-N 433.489 1.098 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1S(=O)(=O)NCC#N 541503410 ZCIPCEMZIYSGMX-KRWDZBQOSA-N 427.486 1.117 30 10 IDEE C=CCOc1cccnc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 567922294 XIOOROUMRJCJKZ-KRWDZBQOSA-N 438.532 1.223 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCOC3)CC2)cc1 574697881 AZCCNZVVMDDJIJ-NHCUHLMSSA-N 438.532 1.596 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)CC1 578541518 OPNUEGSFWRPQLT-UHFFFAOYSA-N 445.499 1.256 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 610596429 BKSRJFRFWWAUPN-ZHRRBRCNSA-N 425.489 1.832 30 10 IDEE C#CCn1ncc(NC[C@@H]2CN(C)CCN2Cc2ccccc2)c(Br)c1=O 694743985 FBUCSWMQYPFLDN-QGZVFWFLSA-N 430.350 1.867 30 10 IDEE CO[C@@H](C)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140535 XFJAMZMLOPFGDX-YJBOKZPZSA-N 431.562 1.983 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CCN1C1CC1 734843527 NALZVTQCUBVICF-ZDUSSCGKSA-N 439.335 1.695 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 746173054 HPOLWDCHERJCMW-LSDHQDQOSA-N 436.472 1.297 30 10 IDEE COc1ccc(Br)c(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c1 747807545 MYQGZIMYDSJDOS-HNNXBMFYSA-N 446.326 1.887 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(C1)NC(=O)N(CCS(=O)(=O)c1cccc(C#N)c1)C2=O 753917666 MJVZFZVAAMOQOO-HXUWFJFHSA-N 448.501 1.263 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 759416546 DOORYGHOLBHRRV-JHHGQVAESA-N 436.415 1.897 30 10 IDEE COc1ccc(CN2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)cc1 760401796 ZVTMYIYMMLZQCW-QGZVFWFLSA-N 433.530 1.964 30 10 IDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 767694923 HTOXLAGCQYXABK-HNNXBMFYSA-N 439.490 1.573 30 10 IDEE C=CCN1CCC(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CC1 769647004 FTAHQLOCVRPOTE-UHFFFAOYSA-N 439.506 1.588 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 777742404 GECMDUGYXMMYIZ-HYEKCJMVSA-N 435.843 1.410 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783956058 BEMWTNVYCWBYAZ-UHFFFAOYSA-N 437.550 1.065 30 10 IDEE C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1=O 790893169 XEELWJAPRBJQAT-CVDCTZTESA-N 436.516 1.793 30 10 IDEE CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)CCN/C(O)=C2/N=CC=CC2=O)cn1 791131595 CKBBOAOXAPAKKU-UXDFZSADSA-N 437.500 1.882 30 10 IDEE COc1cc(OC)cc(S(=O)(=O)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c1 793305249 MYMIINMCNOPUID-UHFFFAOYSA-N 434.474 1.593 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CC(=O)N(C)[C@@H](C)C2)c(C(=O)OCC)c1C 800480563 VSFCVEYVQKPJDB-LBPRGKRZSA-N 437.518 1.677 30 10 IDEE C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C1(S(C)(=O)=O)CC1 806217054 BSTJZJRMLMIZLM-QIAIEURZSA-N 442.563 1.587 30 10 IDEE C[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 807802161 DGPDREAXVLVOKS-PGUXBMHVSA-N 446.451 1.029 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nnc3n2CCCCC3)C1 915099227 MREARPBQNIEXLS-CVEARBPZSA-N 446.533 1.887 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC(=O)NCc2ccco2)c1 916692913 JEADUMPFYAYMQM-HAVVHWLPSA-N 433.490 1.530 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1 916899786 VXVSMAMOFFRNJG-IBGZPJMESA-N 427.482 1.977 30 10 IDEE CCCS(=O)(=O)NC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1136201402 IIRYZBVCIUTBPY-UHFFFAOYSA-N 431.511 1.057 30 10 IDEE C[C@H](C#N)CN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CC1 1137930026 YTGVDQKYPWCALB-MUIFIZLQSA-N 425.551 1.807 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)n1 1139834141 XHXNKEBSYSENKW-HTAPYJJXSA-N 432.521 1.517 30 10 IDEE CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1143636585 YQAGVBAIZPYRAG-YXJHDRRASA-N 430.436 1.513 30 10 IDEE Cn1cc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2=O)cn1 1148642727 IFSUROGOTLADAN-BXFSZVDSSA-N 442.520 1.382 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1154867710 VGEYPGYLBJROPC-FUHWJXTLSA-N 440.500 1.102 30 10 IDEE O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)N[C@H]1CCN(O)C1=O 1159325434 WDUZMMYPJWWHKO-CABCVRRESA-N 435.481 1.462 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1166617387 PQHWTFIFZCBTOH-UHFFFAOYSA-N 434.543 1.507 30 10 IDEE C=CCn1cc(CNC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)nn1 1214286583 UKTKVHLAFGFQFI-UHFFFAOYSA-N 427.509 1.459 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 1221983255 QOJSXEKILZIJEO-SFHVURJKSA-N 433.578 1.007 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)nn1 1230272536 VWAIVWHQXHQOHX-UHFFFAOYSA-N 444.492 1.158 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1c(I)cnn1C 1235706747 REDKTRLBAYSALU-UHFFFAOYSA-N 432.262 1.511 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1286273039 DBDUWTRPQDXEEU-SBUREZEXSA-N 443.523 1.886 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286338936 RUKWDFFEPUDLJN-UHFFFAOYSA-N 447.547 1.785 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286386406 ZMZHLMBAFFCYJZ-GBESFXJTSA-N 437.610 1.528 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286467007 POCSZWFKWCLLKO-OAQYLSRUSA-N 428.562 1.731 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2(C)CCC2)n1 1286471344 LIZPNKGQVASIQX-GOSISDBHSA-N 425.537 1.902 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286507516 ACRGYSYRWPOCPJ-INIZCTEOSA-N 439.541 1.881 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1286509550 SUYVMZJPTADEPU-CQSZACIVSA-N 449.549 1.213 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1286516200 DJPYLABFNCIPCD-FZKQIMNGSA-N 433.563 1.638 30 10 IDEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286534565 GBYYAPUQUOAXLW-HNNXBMFYSA-N 436.310 1.814 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccoc2CC(C)(C)C1 1286787210 COJOLAMGLRFQPW-INIZCTEOSA-N 447.561 1.664 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1286821522 ODKIYXFKJNCXFH-INIZCTEOSA-N 436.509 1.608 30 10 IDEE CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC#N 1286953369 YDEKHOGGCCTKLB-MRXNPFEDSA-N 425.541 1.717 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1 1286969475 GMMVYUKEMQIFTB-CQSZACIVSA-N 445.549 1.148 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1287113895 PXSZPHUUJGBHIX-UHFFFAOYSA-N 439.564 1.700 30 10 IDEE CN1C(=O)c2ccccc2[C@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1287785862 NDHLUWYGRZYDFE-RTBURBONSA-N 431.452 1.706 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1288967071 VYLCHLPVVGVCJT-PDSXEYIOSA-N 428.468 1.764 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1295482342 KYYFZAKOPUTYSP-UHFFFAOYSA-N 437.548 1.332 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(N)=O)C1 1300402701 ABGZPFJGROQOEC-HNNXBMFYSA-N 429.550 1.353 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(C)C 1300664729 VBRDPSNGWPJNGI-UHFFFAOYSA-N 437.548 1.618 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1300882574 VSHZQPUAIMKXBL-QAPCUYQASA-N 432.550 1.730 30 10 IDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1301252168 LECHEJXRMOUFAC-UHFFFAOYSA-N 438.532 1.993 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1301295880 BRDSTAMGIHZUKJ-MSOLQXFVSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1301497065 NABUALMEPGWFAK-PMERELPUSA-N 425.518 1.411 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301576890 BVRMMLKRJUBAAM-HZPDHXFCSA-N 438.525 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301588222 DJHRSVYYUJSMDG-KRWDZBQOSA-N 426.583 1.852 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC[C@@H]2CCCO2)cc1 1302992361 YZINBCIOAPGTTR-IBGZPJMESA-N 445.545 1.637 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1303448819 ZOWNVHVWIKNUHM-PXNSSMCTSA-N 437.548 1.498 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1303638929 CMWXOXWUUPEXPV-HZPDHXFCSA-N 449.556 1.803 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ncc(OC)c(O)n3)CCCC2)c1 1304134244 CDTWLTPROOPSPP-UHFFFAOYSA-N 430.486 1.302 30 10 IDEE N#C[C@]12CN(C(=O)Cn3c(S)nnc3-c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1304273589 YTSZGSRMVMKGHM-YVEFUNNKSA-N 437.934 1.284 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1306889470 CVKPIRFVSWQVLH-QGZVFWFLSA-N 439.578 1.611 30 10 IDEE CC[S@@](=O)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314575923 HTOALGUNTDOGHF-WJOKGBTCSA-N 437.529 1.567 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1315797852 GCHDKWPCMMICJQ-RBUKOAKNSA-N 441.536 1.427 30 10 IDEE COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1316070615 HYQLNWXTVBUVFH-HSALFYBXSA-N 437.548 1.551 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1318517328 PSBRHXPKLVLPMD-XUTLUUPISA-N 425.489 1.425 30 10 IDEE C[C@]1(c2cccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1322289804 LDHUEWVDCFYOTB-WAIKUNEKSA-N 431.452 1.282 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(F)F)CC1 1358924349 UBCAQISYYAQRKH-UHFFFAOYSA-N 427.463 1.721 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1358960590 HYSFLVVWLWFWBS-KRWDZBQOSA-N 438.513 1.419 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1358978852 WLLLKTJZNUAORF-FQEVSTJZSA-N 425.558 1.363 30 10 IDEE C#CCSCCn1c(N2CCN(CC(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1359062306 CLNHFWJIGDHPTI-LJQANCHMSA-N 429.537 1.684 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359086588 BTOZKSDIBMUZLP-KSSFIOAISA-N 440.342 1.693 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1359240162 HJVRGOIVIVCFPV-ZWKOTPCHSA-N 440.614 1.354 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)CC1 1359309514 UTSPSTDFCYYFDV-UHFFFAOYSA-N 426.521 1.731 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359632599 KWKXWABBCZMHJY-IEBWSBKVSA-N 429.569 1.511 30 10 IDEE C[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1360834690 IRNJHFNMVMQHMI-PMACEKPBSA-N 449.508 1.596 30 10 IDEE N#Cc1c[nH]c2cc(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)ccc12 1441477251 ATJZCMYWFBGXAD-UHFFFAOYSA-N 438.513 1.316 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCCCS2(=O)=O)C1 1446705704 BBUAIQZHTCKJOA-OAHLLOKOSA-N 426.336 1.840 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@@H]1[C@@H](NC(=O)OCc2ccccc2)[C@H]2C=C[C@H]1C2)C(=O)OC 1448501194 ZQMIZEASLIAMSL-KNJMJIDISA-N 428.485 1.964 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 1455115320 OEHSGUAZZWZPEB-DLBZAZTESA-N 444.582 1.958 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)CC2=O)cn1 1456159488 AIXPSQYQPVLMNZ-SFHVURJKSA-N 437.500 1.824 30 10 IDEE Cc1cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C 1461243909 IBDMLDIQOCVVME-UHFFFAOYSA-N 446.511 1.207 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1467450627 AUMMBZYWODOTSE-UHFFFAOYSA-N 432.952 1.686 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1 1467815528 WYLWBFGVYQJCFD-UHFFFAOYSA-N 444.333 1.201 30 10 IDEE Cc1cc(O)nc(N2CC[C@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2)n1 1471857733 HOMKQZGIKMRABP-ZDUSSCGKSA-N 432.278 1.899 30 10 IDEE Cc1cc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c(C#N)cn1 1472648314 GCGOUOZKPIDQJG-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCC1 1473819709 NIWCGWZSNPTEQC-UHFFFAOYSA-N 429.586 1.934 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 1503441152 RTUNVKOKVJQDIS-UHFFFAOYSA-N 426.502 1.738 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504604716 ITRMDCTUHVFNLT-AEFFLSMTSA-N 446.531 1.744 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1505134784 DSUGJTRTTJWMMQ-KRWDZBQOSA-N 445.545 1.746 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507525951 KACXHIUVFSXNJS-CVEARBPZSA-N 445.545 1.456 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507530384 XURAKVSEROYAAS-HOCLYGCPSA-N 425.459 1.790 30 10 IDEE C#CCN(c1nnc(CC)n1CC1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1507633360 GBXYTKGMIQCTMS-HXUWFJFHSA-N 442.589 1.779 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1507659810 FYAGKNDZIUZTSB-WKRCXCSHSA-N 433.578 1.292 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507679688 PKDJFGDBDSTTQN-UONOGXRCSA-N 436.504 1.232 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CN(CC(C)C)CCO1 1507687517 PSYJNTXEUZXPFY-QGZVFWFLSA-N 428.537 1.822 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507723912 ZAAQCDZTLLYZRB-UHFFFAOYSA-N 438.536 1.357 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507752850 AJXMFVCLGXILRD-IAGOWNOFSA-N 430.578 1.338 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1507801730 YFGYGNFBCHFRIR-DNVCBOLYSA-N 429.525 1.131 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507956530 AVEYQONXWYTXKI-FHWLQOOXSA-N 433.553 1.796 30 10 IDEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O)C1CC1 1507988186 QLWRATWAHAMSQB-UHFFFAOYSA-N 443.371 1.750 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)C1 1508121280 DABDEWLZBNRBIA-CABCVRRESA-N 430.534 1.502 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1508145946 RIPMRWDPTAQOND-UHFFFAOYSA-N 440.957 1.933 30 10 IDEE C=CCSCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OCC)CCOC1 1508167279 HFFVIUPASBPAKR-NRFANRHFSA-N 446.577 1.506 30 10 IDEE CC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1514058507 CPYXRPULQKAHGD-MMYRVIJDSA-N 427.509 1.382 30 10 IDEE N#C[C@@]1(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CCCOC1 1514541069 NAYMLLBGFOJGCM-QHCPKHFHSA-N 434.500 1.627 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1515856853 HCWXGWZPSSISER-RTBURBONSA-N 428.562 1.924 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1538965223 NKPHZUGAIHLYRI-KRWDZBQOSA-N 431.500 1.742 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1538973514 OAYUJGIVXUFSFI-UWVGGRQHSA-N 433.431 1.951 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1539067765 KTXCNTHACYQGTF-KRWDZBQOSA-N 447.543 1.958 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539219788 FJTMJSGGAHRZDF-ZWKOTPCHSA-N 432.521 1.986 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1539231654 UWNPZIPQBVYUCA-IPMKNSEASA-N 449.577 1.015 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC=C 1539320666 XVJRRKZZKSPEKH-UHFFFAOYSA-N 440.525 1.780 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539758109 HCCXEONCGGQJLU-OAQYLSRUSA-N 446.577 1.825 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1540019548 BCDFIAWULRBOHB-YESZJQIVSA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540870723 VEHFIGLHQUDHKU-UXHICEINSA-N 436.516 1.924 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1540874237 ZBOWUQOECZSRMZ-MRXNPFEDSA-N 426.521 1.041 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](N3CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876272 MDIMQGMNUYUFGS-WMZHIEFXSA-N 446.596 1.686 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CC#N 1542027738 DGRDSNLCTJLLRG-INIZCTEOSA-N 427.509 1.860 30 10 IDEE CC[C@@H](O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)nn1 1542096629 RWZLCYCIQZQAKQ-LTUQMTLXSA-N 448.549 1.894 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCN2C(=O)C(C)=C(C)C2=O)n1 1546216208 KBPVPBDWLHCJAU-UHFFFAOYSA-N 432.531 1.834 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1555711955 WMAPZOQSKMOTOY-UYAOXDASSA-N 427.505 1.721 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)C1 1555986868 UZABEFCWDIQNIQ-OAQYLSRUSA-N 434.516 1.676 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1556660316 LDGFMKXGNMGOOS-SXLOBPIMSA-N 432.542 1.425 30 10 IDEE C#C[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C1CCOCC1 1561770878 OXSHDJVEVUVJII-WOJBJXKFSA-N 436.530 1.372 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCCCC)c(Cl)c2)CC1 1564570778 DQAPHNIMZGVWSY-UHFFFAOYSA-N 442.969 1.814 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1564590114 PDOUYJWKBFJSFF-XLPNERPQSA-N 426.539 1.402 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064258 DYRCOZHUZCQFNW-SFHVURJKSA-N 449.602 1.687 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)c2sc(SCC)nc2C)CC1 1588198942 BTBYBGTZYMSXRT-CQSZACIVSA-N 430.621 1.669 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1588955374 WLZJULPYODVJEG-UHFFFAOYSA-N 448.571 1.935 30 10 IDEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594600330 RIGIBKFZFXEPDU-UHFFFAOYSA-N 425.537 1.567 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1595054817 RKQUZYRYQXPBKS-HNNXBMFYSA-N 442.607 1.692 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1595715266 UNSSTPOFIBJCEA-RBUKOAKNSA-N 438.532 1.717 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2)nc1 1596984617 NLNAAIXUVWBXHJ-MRXNPFEDSA-N 434.431 1.857 30 10 IDEE O=C(CN1CCCS1(=O)=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598484122 WKIJNPZWGNFCCS-YUMQZZPRSA-N 430.317 1.651 30 10 IDEE Cn1ccnc1CN1CCC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1 1611648735 HINLTHJXFVMZKN-UHFFFAOYSA-N 425.489 1.536 30 10 IDEE CCC[C@H](C(=O)OCC)n1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 1617066777 VXGZFOQXTUMOJN-CQSZACIVSA-N 433.490 1.465 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCC(C)C)CCO1 1618694767 XMBZZPILHDCWDI-LJQANCHMSA-N 426.521 1.831 30 10 IDEE COC1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1619480628 ZCRBKNQFFRYWQJ-JCYILVPMSA-N 425.493 1.859 30 10 IDEE Cc1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)NCC#N 1627533076 LZRHSABVBIVEIS-UXLLHSPISA-N 434.518 1.535 30 10 IDEE Cn1ccnc1N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1629921220 WDVXBSMKTJAOHB-PSCUFVCCSA-N 428.537 1.856 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2CCC(S(C)(=O)=O)CC2)C1 1634108969 UAWLLGDCWPVMGP-GRAKBVBRSA-N 428.555 1.648 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1635607952 ZKPCPLTUAAFJGG-HZPDHXFCSA-N 432.864 1.954 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC)c1ccc(Cl)c(F)c1)c1cc[nH]n1 1636540855 LWXVQAYVIRYXAQ-OAHLLOKOSA-N 440.815 1.517 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cc[nH]n1 1637956326 YOXFXUQPYYCZTH-DZGCQCFKSA-N 435.481 1.161 30 10 IDEE CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1638849561 LZRBQUNZULWBOB-KRWDZBQOSA-N 427.505 1.920 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640503212 DXUJKDIKJPNTRX-UGSOOPFHSA-N 431.470 1.507 30 10 IDEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1 1641505979 CJOILTXORURIQH-UKRRQHHQSA-N 432.468 1.710 30 10 IDEE N#Cc1cn(CCNC(=O)Cc2ccc(OCCOc3ccccc3)cc2)c(=O)nc1O 1641968237 WXYMZTDSMDEFED-UHFFFAOYSA-N 434.452 1.637 30 10 IDEE C#CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCC1 1646204154 NIRZFQXXPBQOFX-UHFFFAOYSA-N 435.521 1.501 30 10 IDEE CCOC(=O)c1[nH]cnc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1647899296 GRKMLAHLMMDSAW-YZGUTLMUSA-N 431.493 1.989 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)c1 1653499905 MUGZLXFYAABYEF-SNVBAGLBSA-N 439.856 1.281 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 1654255097 ACZNIERIZLDWSX-HNNXBMFYSA-N 425.493 1.358 30 10 IDEE C#CCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1689940698 AQRZNWKOQYQVTO-ZJSXRUAMSA-N 444.624 1.948 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1690022913 YMRCQWIKUBMYJB-LJQANCHMSA-N 428.487 1.693 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1690047798 YYZGPRBFBCQJFX-SFHVURJKSA-N 445.589 1.292 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@H]2NC(=O)CC2(C)C)n1 1690109104 GYYMGYSERDIUJP-GOSISDBHSA-N 425.537 1.553 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NCC2CC2)CC1 1690117849 XWMUTOIFPFGVFN-UHFFFAOYSA-N 438.532 1.244 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690175476 XYYUSWKPNRLLGM-UHFFFAOYSA-N 432.638 1.978 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1690205895 ATCYEXXSNDOFEK-MGPUTAFESA-N 437.566 1.697 30 10 IDEE CC(C)(C)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1691202520 VDOWRRMOXPNDDM-CZIZESTLSA-N 427.553 1.993 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C(N)=O)nc2)CCOC1 1692585464 LJJAQPKDTJMIDT-BTYIYWSLSA-N 427.509 1.599 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCOC[C@@H]1OC 1696298475 IKTLSCHBBZHVOD-KSSFIOAISA-N 428.493 1.401 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1C 1697084070 XAFJYWZSCFHEIV-HNNXBMFYSA-N 441.492 1.094 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCC(O)CC2)CCO1 1698493392 LMGFORZZHOEOHK-KRWDZBQOSA-N 431.928 1.569 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1705558718 GQLNUDOHANAQTI-KRWDZBQOSA-N 445.545 1.100 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1705582767 JERXXBYDIUZJGO-GOSISDBHSA-N 447.586 1.356 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1705599333 LDSYZVAWLLQDGO-UHFFFAOYSA-N 433.965 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCN1CCCS1(=O)=O 1705599732 WJTACYYNZQYFFY-UHFFFAOYSA-N 441.557 1.376 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN(C)CC(F)(F)F)CC1 1705640679 AOTXRRAPNFBGFQ-UHFFFAOYSA-N 435.498 1.903 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2noc(CC)n2)CC1 1705642725 FQYORPAOHQWHJY-UHFFFAOYSA-N 439.495 1.940 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705733459 OBJFLFUVSFXUNQ-OAQYLSRUSA-N 437.508 1.215 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705737551 UWPNKXBAGRTKJF-KRWDZBQOSA-N 429.525 1.500 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)no2)CC1 1705781796 IGEIZLIQKKHDQN-QGZVFWFLSA-N 436.538 1.358 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705786101 GIRGAUJSVHTXGC-GQIGUUNPSA-N 441.598 1.875 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705830097 JAEGFCOYKFRUDZ-HXUWFJFHSA-N 446.596 1.509 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705899126 ITHIZRBTZZRACF-UHFFFAOYSA-N 437.548 1.894 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1705907212 DNMXDAUBNKIKKA-QGZVFWFLSA-N 427.505 1.775 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1706188199 OAKHTMYXMQIJKN-HZAQMHFWSA-N 436.513 1.995 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C2CC2)c1 1706890177 MIEWIZYZAGMQKM-KBXCAEBGSA-N 430.534 1.543 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@H](C)O1 1709336093 WOEGHCALGDWMLF-QFBILLFUSA-N 447.561 1.882 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1(O)CCOCC1 1710731829 HQFTWPVDWOXGRV-UHFFFAOYSA-N 441.536 1.339 30 10 IDEE 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1.681 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)n(Cc2ccc(F)cc2)c1C 532978509 RORLUTIARIBUNU-GOSISDBHSA-N 447.536 1.726 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)n1 546918852 YJBVICKFYJHPGV-QFIPXVFZSA-N 447.518 1.623 30 10 IDEE N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 603798480 CTGZGLCXJSLYOT-GOSISDBHSA-N 447.564 1.958 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 729335065 HEVGSNQSIQVNHI-SWLSCSKDSA-N 429.325 1.995 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2c(C)noc2C)cn1 730145274 YQROBAXNKWWMBD-QGZVFWFLSA-N 447.565 1.707 30 10 IDEE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732669712 OQVHQXFAJKAGRK-OUOZUETKSA-N 435.502 1.251 30 10 IDEE C#CCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 733246924 VUPXHOGPXXZTOB-UHFFFAOYSA-N 429.498 1.988 30 10 IDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC 733673265 VPLMZQPXZNSRDO-UHFFFAOYSA-N 434.562 1.785 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746742843 KARRYXPKMSCOAK-JLTOFOAXSA-N 426.473 1.013 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(OCCC(=O)NC)CC3)ccc2c1=O 752745610 CJORKFVCFASGGH-UHFFFAOYSA-N 430.530 1.629 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccccc3)c2=O)c[nH]1 753357839 JLZDRKKSOIASCV-UHFFFAOYSA-N 447.516 1.945 30 10 IDEE C#CCN(C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)[C@H]1CCS(=O)(=O)C1 757905022 PDACYLPZRMUMLO-SFHVURJKSA-N 427.526 1.806 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2cscn2)cn1 767866297 RHMXXRODBLYTDC-MRXNPFEDSA-N 449.606 1.602 30 10 IDEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1)c1cccs1 768415416 AWFADQSSDDQEKM-DEQFEVIASA-N 449.606 1.506 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 768724125 GPEHABGTHSDKMA-MSUUIHNZSA-N 428.836 1.107 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1CC(C)C 772275238 BPHJNLCQJGTQEZ-UHFFFAOYSA-N 434.359 1.886 30 10 IDEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2ccc(C(N)=O)s2)CCCN1C(=O)OC(C)(C)C 791804481 SSYKPUANJRMCPY-SFHVURJKSA-N 443.547 1.998 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 796243120 RBUSIOAEXJSNNU-INIZCTEOSA-N 441.481 1.870 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H](c2cccnc2)C1 800167268 FMVNYNFTFLDERO-DLBZAZTESA-N 437.522 1.145 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)n1 802333934 ANCGHVBFPHEFLU-FQEVSTJZSA-N 437.500 1.802 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOC)CC1 802424670 PWENTXUWTJZGPT-UHFFFAOYSA-N 436.919 1.808 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807941741 UPPQQPNWNFIPKR-IHRRRGAJSA-N 441.504 1.743 30 10 IDEE C[C@H](OC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 815471960 BSBSXLVZWVSWRC-FPMFFAJLSA-N 427.482 1.930 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@H]2CCCO2)c1=O 917355821 DVBNOKKYQBARQO-GOSISDBHSA-N 448.548 1.825 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCNS(=O)(=O)c1cccs1 1127289684 GFJNNPKXZVBSID-ZDUSSCGKSA-N 430.552 1.730 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC([C@@H](O)c2cc(F)ccc2F)CC1 1142034243 ODCZDNYENXJIBY-HXUWFJFHSA-N 449.479 1.976 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)cc1 1148650125 TYVJTCGMMDBQPH-KRWDZBQOSA-N 428.470 1.674 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3Cc4cnccc4NC3=O)C2)C1 1176659724 YFHSUNMUFYOLMM-QYSXUHOCSA-N 425.489 1.848 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1286294861 GAVKVLMYKOALMB-ARFHVFGLSA-N 427.571 1.130 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1286316465 ISOGCUHYVFWNAR-MRXNPFEDSA-N 429.546 1.819 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1nccnc1C 1286377151 SXABNHMRRZWISG-GOSISDBHSA-N 441.536 1.997 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286390107 XEKXCMKFJANJNK-PKOBYXMFSA-N 435.594 1.141 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1286428716 GBMFJRDUAQYYGS-FQEVSTJZSA-N 441.557 1.961 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286432426 JTCXXOKSHSWQDJ-PMACEKPBSA-N 440.592 1.751 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286627234 BGXCDZHKPUPZKV-GFCCVEGCSA-N 442.929 1.276 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1286688858 UJKVDHNNBWKOBF-CYBMUJFWSA-N 425.477 1.966 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286784613 NPFYTGHJBLGOBP-UHFFFAOYSA-N 446.577 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286784934 YYZDGQGWFUZPNR-GOSISDBHSA-N 433.516 1.614 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)[C@H](C)C1 1286815890 GKQMTSPCGIYZMB-MRXNPFEDSA-N 437.566 1.604 30 10 IDEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CC1 1299657209 DFGVGVYRBIKIMT-IBGZPJMESA-N 444.561 1.713 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1300502136 RCRHBBLRKDIPLM-SFHVURJKSA-N 444.586 1.876 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC(C)(C)C 1300648330 FUNQZCOOLVFNFC-UHFFFAOYSA-N 427.509 1.316 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCO1 1300657063 FTMACPZTVIUPSP-GOSISDBHSA-N 447.561 1.460 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 1301586223 JBUYIHQGHZKZGQ-NRFANRHFSA-N 431.562 1.366 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301593973 ZEWDTIUMWCUKDV-TXPKVOOTSA-N 428.555 1.188 30 10 IDEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1303721274 CVDZJHGYZQQGQF-ZACQAIPSSA-N 425.541 1.109 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1303866747 KHRZEKDILVAIIQ-MFKMUULPSA-N 448.427 1.169 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCS1 1305153897 GKLCQTJYCLDNHF-HNNXBMFYSA-N 435.575 1.820 30 10 IDEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CCC1 1314657844 HVRDIWAXIIJIHA-QFIPXVFZSA-N 437.548 1.915 30 10 IDEE Cn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCC(F)F)c2ccccc2c1=O 1314930069 DHWZZQKFAVDISW-HXUWFJFHSA-N 447.421 1.916 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CN(C)C1=O 1316101603 KZIDKEKAMIOHLH-NRFANRHFSA-N 432.475 1.992 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1323771229 JAFFKLRXJLCSRX-HSZRJFAPSA-N 444.576 1.759 30 10 IDEE COC(=O)c1coc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cc(O)ccc2C)c1 1338639680 VDPWVACBPVGHFA-UHFFFAOYSA-O 448.521 1.228 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358961153 SHHAUAYXRYXHCB-YESZJQIVSA-N 430.534 1.034 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1358964472 ZNNNKHNPJMYNOY-IBGZPJMESA-N 443.573 1.412 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C 1359024226 IIEDFYSOISSDBS-SFHVURJKSA-N 432.546 1.654 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N2CCOCC2)CC1 1359037121 WMKMLJBEYNLCAB-FQEVSTJZSA-N 438.576 1.353 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359054267 OYZCRGGOFQGCMD-YLJYHZDGSA-N 441.605 1.628 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359295672 KHUFIYNBJVZTIB-OAHLLOKOSA-N 431.928 1.648 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1359297382 OPABABITPUDLNV-UHFFFAOYSA-N 449.563 1.440 30 10 IDEE CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439798151 SBFXIICBMFQZBR-ZFCANOHDSA-N 435.502 1.647 30 10 IDEE Cc1c(I)cccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439799137 XHJIINHOJXGZHX-XHDPSFHLSA-N 430.267 1.610 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1454975283 JHHWLKHZRIXIJQ-JYJNAYRXSA-N 425.526 1.780 30 10 IDEE C[C@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1466608571 BMZIZWZVEJYHCQ-VQIMIIECSA-N 442.516 1.926 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1468372334 CXHXTAUFQUIWKB-ZIAGYGMSSA-N 428.258 1.689 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1n[nH]cc1I 1470332261 FOBFKLVXDSFBFI-UHFFFAOYSA-N 445.242 1.082 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC(=O)OC)CC1 1470480737 HDTZUQNQHBSMPU-MRXNPFEDSA-N 436.534 1.631 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncc(Br)s1 1471391781 VRQRIVZRHWFQOB-VIFPVBQESA-N 429.321 1.760 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC4(CC3)C[C@H](O)CCO4)C2=O)cc1 1472016539 MQJVZORWLCDBRL-MSOLQXFVSA-N 426.473 1.296 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCOCCS(C)(=O)=O 1492580810 NVDNPGVPTOZOBN-UHFFFAOYSA-N 431.562 1.979 30 10 IDEE Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492896606 NDJLSBLWDGLXLQ-WUKNDPDISA-N 431.497 1.170 30 10 IDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)OC 1497234133 FUSYCJVXAFOLML-GOSISDBHSA-N 432.550 1.760 30 10 IDEE CC[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1499640906 VNCUWTALJQYHPE-DDZZRTFJSA-N 444.536 1.765 30 10 IDEE CCCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1500613681 AAGMYNSWWQOHLH-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)c1=O 1502233550 BPNBNNQZTOZSJO-UHFFFAOYSA-N 447.543 1.815 30 10 IDEE COC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1503889334 JJGVJZSFLHLXGB-OAQYLSRUSA-N 444.492 1.720 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1507592007 QYASJEUBTHTXEO-KRWDZBQOSA-N 427.578 1.984 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1507592844 ZGKPHIUPWOQHDC-HOTGVXAUSA-N 432.525 1.373 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 1507617474 UQERMHAGSYQMPT-KKUMJFAQSA-N 449.499 1.974 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1507631748 SVJYJZIYMNGATF-UTKZUKDTSA-N 432.546 1.900 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1507679852 RWSOCJWXOZGHLU-INIZCTEOSA-N 427.534 1.582 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507724507 RCAJCMBESXJSQX-NRFANRHFSA-N 436.608 1.045 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1507741390 RJTYIRUJAUHZSD-MRXNPFEDSA-N 448.568 1.694 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1507941919 ADIKXHYBKBPXJY-HNNXBMFYSA-N 434.570 1.280 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1507954947 SKVXVEUAMMDPLQ-ROUUACIJSA-N 449.581 1.652 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 1508100566 LQNCWBAXNWBZBH-UZLBHIALSA-N 438.532 1.899 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)N(C)C 1509239901 DWDWGJMYGNUBBZ-IBGZPJMESA-N 446.577 1.818 30 10 IDEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cs1 1513752288 UJGYOVVSGSHSSA-BDJLRTHQSA-N 427.531 1.397 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1 1515901357 DVGMGVPDJKBMMP-UXHICEINSA-N 431.562 1.901 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)OC)C1 1519108416 CPLZKZQFNLPRKS-IBGZPJMESA-N 426.521 1.784 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1536709360 RDYMVMUXCRYJPY-UHFFFAOYSA-N 426.516 1.581 30 10 IDEE CC(C)(C)OC(=O)[C@]1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1538410489 UFMQPWNJLZPLLD-ZHRRBRCNSA-N 442.472 1.380 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539076933 XXBAXDHJETVYSK-UHFFFAOYSA-N 449.559 1.338 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539101897 MBQALTWAZBCPOJ-DLBZAZTESA-N 430.486 1.876 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1539222868 XUEYMHJJAOLHDO-SFHVURJKSA-N 428.562 1.682 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1539271812 LSBGGJRFIXCENH-UHFFFAOYSA-N 430.505 1.021 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540876394 PUXFSONCYFQNBN-JOCHJYFZSA-N 434.585 1.541 30 10 IDEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cnn1CC(C)C 1542110708 OEHVLLBOEIAWOF-WBVHZDCISA-N 433.582 1.985 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nn1C 1548308118 HEGNFOKYTINXMQ-UHFFFAOYSA-N 427.534 1.778 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1554483898 CDUNDJYTBWJNIE-UHFFFAOYSA-N 431.504 1.378 30 10 IDEE C#CCC1(NCC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CCOCC1 1560154368 IEKUAGMQZKPTQR-UHFFFAOYSA-N 439.516 1.094 30 10 IDEE CCOC(=O)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1585600069 LBUWTOJZTOGDHD-UONOGXRCSA-N 440.378 1.764 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588028940 AULDXRKMHPYFJJ-OAHLLOKOSA-N 433.582 1.597 30 10 IDEE C#CCN(c1nnc(C)n1CC1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1588035003 OGAOJQWILNKAHT-HXUWFJFHSA-N 428.562 1.525 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1588064868 QKLNXJCEHFEZFF-UXHICEINSA-N 449.621 1.214 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1588193677 INVDBJSOXRJYDQ-LJQANCHMSA-N 441.557 1.841 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NC 1588200318 LJLCEKDFDKEMIT-UHFFFAOYSA-N 431.504 1.156 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1588399315 OJKRIOJJYRIDSY-MMDUXOIOSA-N 448.483 1.777 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)CCC)CC1 1588806193 IZAOGZVCGLCEOL-QHCPKHFHSA-N 435.532 1.900 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)C1 1595682089 WKNNNLPLGBYTJH-QMMLZNLJSA-N 438.594 1.968 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1606694010 WDFSNQAXSDAEHA-OAQYLSRUSA-N 448.545 1.839 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CN(c3nccn4nc(C)cc34)C2)s1 1607657888 IXWQBYFPHJLGNR-UHFFFAOYSA-N 446.558 1.111 30 10 IDEE CC(C)CSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1607824861 RBMRICRQROPUDN-JKSUJKDBSA-N 444.627 1.596 30 10 IDEE CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617165896 RSEFYQBKORPDTN-UHFFFAOYSA-N 447.503 1.555 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1617384805 RHUCXHILJBRAMD-NRFANRHFSA-N 444.561 1.763 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1617779652 CURKJCCSALYTAO-QGZVFWFLSA-N 445.545 1.657 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1618252328 OYUUVJPDYMCZFT-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC(F)(F)C2)CCO1 1618708558 BACLYJAHTINZIO-KRWDZBQOSA-N 446.458 1.725 30 10 IDEE COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)ccc1C 1619094946 GTYXUEWRLBHASF-IFXJQAMLSA-N 436.513 1.696 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCS2)c1 1620150197 GZHCCFIJYJBYQC-CVEARBPZSA-N 433.559 1.973 30 10 IDEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCCCO)CCO2)c1 1620349212 HOKLOLAYFCQKKR-RBUKOAKNSA-N 440.504 1.078 30 10 IDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](CO)Cc1ccccc1 1620412893 FTPLDTNHDXFZLP-IBGZPJMESA-N 449.511 1.990 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1623751155 YCBNOXCKNCWJCE-RTBURBONSA-N 428.533 1.664 30 10 IDEE N#CCCCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1624772180 YLCQBABBRXQWQG-UHFFFAOYSA-N 435.550 1.225 30 10 IDEE C=C(CCC(=O)OC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1630521753 QRFVBJSHXRCFLX-UHFFFAOYSA-N 426.491 1.554 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 1632183226 FWLCXPBWQIQBFC-QRWLVFNGSA-N 429.498 1.431 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1638482845 RBRWUDBLCIXNAO-ROUUACIJSA-N 434.541 1.937 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 1651508789 ADTKVLSZBNMUHJ-QAPCUYQASA-N 442.497 1.709 30 10 IDEE O=C1N[C@@H](C2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CO1 1653002413 KOUCSKJJGNCYLF-QGZVFWFLSA-N 448.545 1.633 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@]34OCCC[C@H]3C4(F)F)CC2)cc1 1682794416 JKCSTCYERVEPEH-AEFFLSMTSA-N 440.472 1.388 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@]1(N2CCOCC2)CCSC1 1689860843 ISOBBRNXWCWQQU-LAUBAEHRSA-N 432.594 1.066 30 10 IDEE C#CCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1689941956 YOEKIQJOOMVSLT-QHCPKHFHSA-N 435.532 1.937 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)NC 1690054208 QMUHFGFKFDUIOY-UHFFFAOYSA-N 429.546 1.486 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1690109635 YOWLWDXADGCXPR-OAQYLSRUSA-N 441.624 1.637 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690306080 OLPBQUZNDADNCB-MRXNPFEDSA-N 434.518 1.890 30 10 IDEE C=CCC(C)(C)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1690439893 RUHQMGSYPINPTB-DRSNIGMVSA-N 436.553 1.893 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1690465066 QUFBYNIVOJVUKC-IRXDYDNUSA-N 441.598 1.971 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1NC(=O)CC1(C)C 1691871043 MXJRKUNHZCDJHF-RDJZCZTQSA-N 437.552 1.693 30 10 IDEE Cc1c(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1692935278 YDXMALJKJBWBMO-SFHVURJKSA-N 426.525 1.452 30 10 IDEE CCCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695280957 ZXRSUYORESBJTR-GOSISDBHSA-N 442.568 1.839 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1696621591 UTAISTKCFKAHJU-NRFANRHFSA-N 427.484 1.749 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1cc(CO)nn1 1705485977 UFWWOMMJIYQAGY-OAHLLOKOSA-N 425.493 1.594 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705568671 SOEUAWMUJRVWTP-PGRDOPGGSA-N 446.573 1.687 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(N)=O)c1 1705589630 TWDHFWUZQHHFGZ-UHFFFAOYSA-N 441.495 1.730 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N1CCCC1 1705627577 KUNALRHHJUKZTH-QZTJIDSGSA-N 426.521 1.745 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1705668245 HJBAQEGFGOODAH-TWOQFEAHSA-N 431.566 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncccn2)CC1 1705937499 WFMXOIAIYLZUBC-UHFFFAOYSA-N 445.593 1.728 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705947960 DQSOWEMPUOPCAD-QGZVFWFLSA-N 432.594 1.911 30 10 IDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)OC 1708778600 SYJQKVLTSFDYIH-KRWDZBQOSA-N 437.504 1.762 30 10 IDEE CCN1CCN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CC1 1710299398 UALNYCFRPHOMPU-QGZVFWFLSA-N 442.568 1.772 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1710977240 YZVKTEWERROJDE-UHFFFAOYSA-N 432.550 1.556 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 1712465111 GUQYGVVQBRZTRT-MRXNPFEDSA-N 434.504 1.375 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712584065 OPFOGXMPUPHFSD-VRTBNJGNSA-N 446.552 1.734 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1OC 1722344587 KMZUXHHRMPLRLT-ZDUSSCGKSA-N 437.522 1.032 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1722433179 OERRRTCCKQMEGD-QFIPXVFZSA-N 444.486 1.780 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722495274 WOEHIHQVIRGOBM-NEWSRXKRSA-N 427.553 1.574 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722585635 DEEVRYIZHBBWRC-QGZVFWFLSA-N 438.532 1.703 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722631757 WANFDHYYHOWDPD-OAGGEKHMSA-N 428.603 1.398 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1nccn1C(F)F 1727606981 GYHBNYUXUYOAMU-ZDUSSCGKSA-N 428.451 1.857 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1729638674 YNEQTOYWFRIAQP-VXKWHMMOSA-N 442.520 1.794 30 10 IDEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1730484721 QUOAKNGGVZLFGM-KRWDZBQOSA-N 425.472 1.256 30 10 IDEE COCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1730577601 YYSHZGLBNSVBSG-LDSGZGKSSA-N 444.536 1.909 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C[C@H]1OC 1730988634 DZEDMJRALIUQCL-AQNXPRMDSA-N 427.505 1.862 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740622535 ZFHZWKNGOIZSHA-HRAATJIYSA-N 441.513 1.468 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740627324 POTODLUBPJVWJN-AQNXPRMDSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740627651 RQXIFZWVAKTBRS-MJGOQNOKSA-N 432.521 1.791 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740636873 GZOZLPMOCDMIIG-UHFFFAOYSA-N 431.500 1.267 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)C[C@H]1O 1748333443 BNFGZIXBURDLLG-CDMIOBSGSA-N 425.489 1.338 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1748830048 NXSIWZILDMORDD-NZQKXSOJSA-N 429.565 1.360 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2)CC1 1748972109 CAXADRFULZJORZ-UHFFFAOYSA-N 436.564 1.557 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)COC)CC1 1749003296 DVZVBZSRAYLRKG-HTAPYJJXSA-N 433.553 1.179 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749022397 JFCJHFUITLJQGJ-JYJNAYRXSA-N 427.596 1.118 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)CCC)CC1 1749043979 MPOZFHVBBYDINI-UHFFFAOYSA-N 432.594 1.652 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749047517 YAFLDTHNGSIIRY-GOSISDBHSA-N 445.545 1.183 30 10 IDEE C=C(C)COCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1749239376 IMXGMDNAFDGXCI-KGVIQGDOSA-N 433.553 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)[C@H]1CC 1749658090 LLHSHZNTIHMXNM-OAHLLOKOSA-N 432.912 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1749729830 TUZGNHYGEWPFTG-NRFANRHFSA-N 449.577 1.659 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760146874 YSYRYNFRNUGNJZ-SFHVURJKSA-N 426.521 1.773 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1760236305 QLFVBQQXHOAGIY-UHFFFAOYSA-N 432.546 1.277 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ncnn2C(C)(C)C)CC1 1760255838 AVZWSMHYNFLEMP-QGZVFWFLSA-N 430.557 1.152 30 10 IDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCCN(C)C)CC1 1760257679 DVSVZHPRRLOZME-UHFFFAOYSA-N 435.576 1.770 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2c(C)noc2C)CC1 1760261499 RWYHPFYJJDIKLO-MRXNPFEDSA-N 425.537 1.564 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC)C1 1760313741 PQQHDTCRASCVJB-SCTDSRPQSA-N 442.520 1.758 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760389850 VPGODEATZIBLAK-ABSDTBQOSA-N 441.598 1.565 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760524542 ALNVZALPXFNVKF-IBGZPJMESA-N 442.539 1.611 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1760544182 YYUYQLQYWGAKLJ-OKYOBFRVSA-N 432.569 1.510 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1760569404 NPGUHSPYGOSJOI-KRWDZBQOSA-N 431.566 1.422 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1761363189 LJCGGGSTEFUQLY-GJZGRUSLSA-N 437.526 1.018 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccc(C#N)o1 1761495558 WIBWFYBWOYLMRD-RYUDHWBXSA-N 428.465 1.883 30 10 IDEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1768047301 MVVHCURJOIRKDQ-HZPDHXFCSA-N 440.570 1.214 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccccn1 1768292414 AEAIHUIDCWLEDY-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1768427337 FITAANKQPZRLQR-WWMYMODYSA-N 433.532 1.167 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1769547997 DUOKBXSUZRLFKU-FXAWDEMLSA-N 433.534 1.228 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC2CC2)CCO1 1770746546 BGDRYRCODLRAOQ-CQSZACIVSA-N 445.321 1.963 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770923953 MYWHFZFKHUTFTO-MEUCICPISA-N 425.493 1.283 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)N1CCCC1 1772564425 YWXVFCODMXVYIT-QZTJIDSGSA-N 440.614 1.354 30 10 IDEE C=CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(F)c1)[C@@H]1CCN(C)C1=O 1849204252 RMUABXNCOHCBFL-ZWKOTPCHSA-N 425.526 1.764 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCC(C#N)CC3)C2)cc1 1850279023 RTPMCIRJYQCSKX-SFHVURJKSA-N 434.562 1.448 30 10 IDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1856037208 VOFDZHMXCCELES-KRWDZBQOSA-N 431.514 1.413 30 10 IDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OCC)cc2)C1=O 1863568894 VUDOZSHPTVLPHJ-UHFFFAOYSA-N 441.509 1.788 30 10 IDEE COCCN(CCOC)C(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869928435 XZXSQBOHQQFDBS-IBGZPJMESA-N 445.541 1.458 30 10 IDEE CCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CC(O)C1 1870323659 BKUFGDOVDKQUSI-UHFFFAOYSA-N 442.541 1.874 30 10 IDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC[C@H](COc3cc(C#N)ccn3)C1)CS2 1891934392 DHLPQDISAAOJBG-IRXDYDNUSA-N 425.514 1.858 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1985010332 APBJVNAFBDVJIS-JYJNAYRXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010507685 KKPRCMASBQGQHO-AABGKKOBSA-N 428.533 1.841 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010521672 OYIKFELJZSIBGU-FVRICEFQSA-N 428.533 1.889 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCc2sc(C#CCO)cc2C1 2206361120 BMAYBMCAQJTQFE-UHFFFAOYSA-N 444.534 1.466 30 10 IDEE COc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(C#CCN)c1 2237334877 JAMRLJYOAULTKR-UHFFFAOYSA-N 427.482 1.433 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(F)F 2248395778 QOYZINLRZIOJNF-QGZVFWFLSA-N 448.301 1.746 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255622572 BJYCBXFHRGSITA-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255622652 CGONNKURULLIIA-ZFWWWQNUSA-N 434.346 1.845 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255697060 CVRYJJQQXJXIQK-HNNXBMFYSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255709591 YJHKZHYEAPDWTJ-HUUCEWRRSA-N 436.314 1.679 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267150237 BVFLTXQXGIEZHA-RCDICMHDSA-N 446.357 1.941 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2267263934 LMERJDIGGYNMMN-UONOGXRCSA-N 449.361 1.538 30 10 IDEE C=CC[C@@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)F 2270541114 XBVSOZTWIXVRBJ-RDTXWAMCSA-N 434.461 1.974 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 2296624968 UEVDJUWWDZUGPY-IBGZPJMESA-N 425.489 1.186 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCON(C(=O)OC(C)(C)C)C1 2315529143 RBBYHCVUADRODT-CYBMUJFWSA-N 436.318 1.390 30 10 IDEE CC1(C)OB(c2ccc(CN3CC(NS(C)(=O)=O)C3)cc2Br)OC1(C)C 2377422935 RSGNMWBMBVQAOC-UHFFFAOYSA-N 445.188 1.482 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 16729058 GCYPOBVBMBQFPR-UHFFFAOYSA-N 430.511 1.266 30 10 IDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C(=O)C1=O 64835465 TWCUXXQKNFXZCT-UHFFFAOYSA-N 433.574 1.994 30 10 IDEE CCCCCn1c(NN/C=C2\C=C(Br)C=CC2=O)nc2c1c(=O)[nH]c(=O)n2C 136473241 AASKODOMNLEWGG-ZHACJKMWSA-N 449.309 1.832 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 325014656 CZWRGQPJRJLDSX-LLVKDONJSA-N 437.293 1.168 30 10 IDEE C#CCN(C)CCNS(=O)(=O)c1c(N)cc(Br)cc1Br 380836945 MKWJBVMAVDFFLA-UHFFFAOYSA-N 425.146 1.637 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)sc1C 434948037 SNDQEKMMFWSVIK-UHFFFAOYSA-N 426.545 1.327 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)c(Cl)c1 445125207 ZVGNNNCGLLXSAD-GOSISDBHSA-N 431.924 1.823 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 482405449 PDCHQGPFZLSFOA-BEFAXECRSA-N 429.498 1.688 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC3CCN(c4ccccc4)CC3)n2)cc1 492463069 OUOYJFKFNXPDFV-UHFFFAOYSA-N 429.484 1.922 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 506094711 WBEMTONSMZCIFG-INIZCTEOSA-N 429.498 1.695 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 516425182 YBYQXVCRPQLIBB-WBAXXEDZSA-N 427.530 1.896 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc4c(c3)CCO4)c2=O)cn1 523861957 MIFREFUSKHUQPC-UHFFFAOYSA-N 446.532 1.923 30 10 IDEE C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533272974 VRZUEQVDHZAJIZ-LSDHHAIUSA-N 426.477 1.041 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@@H]2CN2CCOCC2)CC1 537165543 KNGFPUMBZZGEOH-UXHICEINSA-N 431.606 1.644 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 537225174 PCKMJESYYGVTLK-UHFFFAOYSA-N 441.326 1.918 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCOc3ccc(NS(C)(=O)=O)cc3)cc2C1=O 538026522 PSOHJSPPYZKNQV-UHFFFAOYSA-N 443.481 1.649 30 10 IDEE C=C(C)CN1CCC(NC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 538383907 FRRHUEPMVVXTHL-VXKWHMMOSA-N 425.577 1.925 30 10 IDEE C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 543875964 NHWZGTKJFBPURX-JZRRNELQSA-N 439.859 1.887 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCOC1 555521259 RQZIOYRDJFZGBB-MSOLQXFVSA-N 441.536 1.632 30 10 IDEE COC(=O)c1nccc2c(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cccc12 568571988 VANPYRDMKPQHSA-UHFFFAOYSA-N 437.481 1.799 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@H]1CCCO1 618638108 YAXMFKCGGMXKNT-LJQANCHMSA-N 448.548 1.666 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 670204258 WJISWCSVFTZOSU-HNNXBMFYSA-N 426.587 1.549 30 10 IDEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 732899172 NIJBZXXAFBLXEZ-IBGZPJMESA-N 445.566 1.985 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(C[C@@H]2CCCO2)C1=O 735226430 YTVSBVWODNZLJV-MAUKXSAKSA-N 448.545 1.594 30 10 IDEE O=C(NC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)C1CCCCC1 743705593 QPGWTYIFJOHVNI-UHFFFAOYSA-N 432.546 1.413 30 10 IDEE N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 748228128 SHFBVISYJHDNMO-WDZFZDKYSA-N 428.470 1.188 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)Nc1sccc1C#N 755184885 DFAXATAWOMSTEE-ZDUSSCGKSA-N 436.490 1.617 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1 758646347 WMXBIXDPVANANM-STQMWFEESA-N 429.520 1.127 30 10 IDEE C#CCN(C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 774149661 VTZKOXLWHSYVOY-ZDUSSCGKSA-N 448.423 1.857 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)ccc1Cl 785528012 NQRWYVYJYXSQST-UHFFFAOYSA-N 440.934 1.370 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)n1 788560528 PGSSSTSFKWWXLW-UHFFFAOYSA-N 431.518 1.638 30 10 IDEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CCN(c2cnccn2)CC1 789181270 FDUOBLJMKBGVSL-NVXWUHKLSA-N 429.525 1.846 30 10 IDEE C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 798229238 KFYIBQOPDIWDGO-XMMPIXPASA-N 430.512 1.989 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 812189043 YCOXAZDKSXBZHJ-KRWDZBQOSA-N 448.570 1.551 30 10 IDEE N#C[C@H](C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)C(=O)Nc1ccc2c(c1)OCCO2 916964782 AMKLXOSXKKLFFK-QZCPTFHJSA-N 444.513 1.831 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCN3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O 918647077 CPYZJKNXLQTUOM-UHFFFAOYSA-N 442.516 1.751 30 10 IDEE C=CCN(C(=O)Cn1nc(Br)c(Br)n1)[C@@H]1CCS(=O)(=O)C1 1142059548 RMOCSYUWZINBTO-MRVPVSSYSA-N 442.133 1.005 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 1144025919 GYGZNPYEZMWMRH-UHFFFAOYSA-N 432.322 1.233 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)NCc2cc(F)c(C#N)c(F)c2)CCS(=O)(=O)CC1 1155209907 MPKBPQQGGZOTOB-UHFFFAOYSA-N 428.457 1.989 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)NCC(=O)Nc1ccc(I)cc1 1157696945 ZOJIABFWCNNJOV-UHFFFAOYSA-N 436.209 1.940 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 1163652029 ILZVCUWXKLZXNA-QFIPXVFZSA-N 443.507 1.667 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc(Br)cc1 1190716433 TZQIBGNXGSMXSB-CYBMUJFWSA-N 434.271 1.632 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1233928055 MIZMADUUJGGUPZ-CABCVRRESA-N 441.269 1.512 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nccs2)CC1 1286492924 RGVJOUYHOPJCQM-UHFFFAOYSA-N 438.561 1.610 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1286496076 MUEKKPZAYYHXCQ-KFKAGJAMSA-N 439.607 1.262 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1286705054 OLBUORBYFPQZTN-UHFFFAOYSA-N 445.568 1.491 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1286790655 ILLSSHGSACHBIH-AWEZNQCLSA-N 430.459 1.260 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(C)s2)C1 1286798562 LLRNHZJLBSOUAK-AWEZNQCLSA-N 426.506 1.915 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3F)CC2)n1Cc1ccc(C#N)o1 1288158862 XUFDQDXZCHSSHT-UHFFFAOYSA-N 438.467 1.790 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(F)(F)Br 1290866001 ZTDDMIZPZOBJKO-SNVBAGLBSA-N 427.257 1.951 30 10 IDEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1295554274 TXJYUCODDFBTER-NSISKUIASA-N 440.548 1.907 30 10 IDEE COc1cc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc(NS(C)(=O)=O)c1OC 1300393296 ULKIEKUYLBWLIU-QGZVFWFLSA-N 433.486 1.753 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300501325 JQRQFCYNZMUWTP-HXUWFJFHSA-N 442.589 1.377 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1300505147 YERWBSYAORDMTN-GOSISDBHSA-N 443.533 1.111 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1300556869 NVANFJMTJKWXJH-MRXNPFEDSA-N 445.545 1.417 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(S(C)(=O)=O)cc1 1300779582 YACXEWBBZBGCIU-OAQYLSRUSA-N 429.546 1.860 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(CNc2ncccc2C#N)c1 1300985476 DVDSWLAVOQFRFK-XMMPIXPASA-N 435.528 1.911 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](C)C1 1301566714 BFTULVHXXVJULS-GASCZTMLSA-N 434.522 1.140 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1301798737 YGVQKYIQJHLISO-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1302982041 DPOLRDKYEICTCE-APWZRJJASA-N 434.497 1.550 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)C[C@H]1CS(=O)(=O)C2 1304269864 ABNSNMAEKBMFDI-OXJNMPFZSA-N 431.901 1.560 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)NCCN3Cc4ccccc4OCC3=O)CC2)nc1 1311845942 CLJCHVZYVUPQIJ-UHFFFAOYSA-N 434.500 1.642 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1314671247 QFOBPZVMSFMNDV-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314877971 QXUFKZHAKFFSAQ-RJCBAWPRSA-N 446.552 1.950 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CNC(=O)c3ccccc32)cc1 1355744177 IZSAASPSGUGMQF-LTXLMFNASA-N 426.498 1.965 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CCOC 1358889665 FKOIKHVBJUXYJE-JTSKRJEESA-N 427.553 1.698 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358940091 NSLKPAWOCKUIJN-APWZRJJASA-N 445.486 1.653 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C(N)=O)nc1 1358990065 ZUSHIHXNLBJQKT-UHFFFAOYSA-N 444.495 1.967 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359208553 OQBWHQVXDDTWRC-KBPBESRZSA-N 438.520 1.927 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359295671 KHUFIYNBJVZTIB-HNNXBMFYSA-N 431.928 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359331846 JFGSMLOTMZUVER-HKUYNNGSSA-N 448.593 1.575 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC 1440081467 SCBHLVMQSDVHLP-KFWWJZLASA-N 425.482 1.384 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(Cc3ccccn3)CC2)s1 1441669815 WXKTVTMRHINTCS-UHFFFAOYSA-N 434.587 1.931 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1449819041 CPCKEAXLCSUNRD-GFCCVEGCSA-N 429.470 1.081 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(Br)cc1 1450279826 YQLFHKFIDODRLP-MRXNPFEDSA-N 435.299 1.812 30 10 IDEE C#C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCOCC1 1453745612 MTHKRPALSUCYIV-SFHVURJKSA-N 436.530 1.451 30 10 IDEE Cc1ccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1S(=O)(=O)NCC#N 1455463861 JEZBFBNLDSLKNL-OAHLLOKOSA-N 431.474 1.271 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(F)F)CC1 1471451048 MQWBOZUHUGWBRG-UHFFFAOYSA-N 437.472 1.344 30 10 IDEE C#CCN(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1479223280 XRPGNCJULWIVJD-NXOAAHMSSA-N 425.551 1.606 30 10 IDEE Cc1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)s1 1492771761 SYNZIBSYKLHENA-LBPRGKRZSA-N 449.338 1.983 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1503219292 AJMDHLMALISIFT-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1505137094 GTJQEENYWASCLT-RLFYNMQTSA-N 426.518 1.243 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCNC(=O)c2ccco2)cc1 1505317688 AZFFHFLQULLGGD-UHFFFAOYSA-N 436.472 1.978 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507633150 BVCCITLRFIMNOY-INIZCTEOSA-N 437.591 1.686 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1507633795 HWLOHXGMRVVIOX-SFHVURJKSA-N 449.621 1.800 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507636788 DIIJHEYVYGDVIG-SFHVURJKSA-N 432.546 1.829 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1507679194 IHHXHFIIKRGUFO-OAHLLOKOSA-N 433.534 1.442 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCS(C)(=O)=O 1508079225 PRRMKSGNRNQVSN-UHFFFAOYSA-N 428.518 1.276 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)noc2C)nnc1[C@@]1(OC(C)C)CCOC1 1508094026 MBUIBFCJENXDGF-OAQYLSRUSA-N 432.525 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1508144908 JGEPWIGDXSUVIS-INIZCTEOSA-N 425.599 1.963 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1519519447 MOMNWFAJSXCGMW-ZPHPHTNESA-N 448.549 1.085 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1522367198 ODOCNERXUYIIAD-INIZCTEOSA-N 427.461 1.418 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1539013801 JVRSXGAIQDRPBF-WBVHZDCISA-N 430.530 1.652 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539095047 YVIUNSXLQNHNEF-MAUKXSAKSA-N 448.597 1.427 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1539343741 PYYAUBUJPYPOQC-CYBMUJFWSA-N 449.968 1.936 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2)cc1 1539414079 RRJGFGYNVFLLFE-NRFANRHFSA-N 436.560 1.959 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC2)CC1 1539434181 BSGCJQUZHIGOMU-UHFFFAOYSA-N 428.562 1.361 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1539646162 RYSQCWQHUPVCDJ-BJLQDIEVSA-N 443.552 1.072 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1540862051 PMWNYLIMCGCKHT-ULQDDVLXSA-N 425.555 1.192 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C2CCOCC2)C1 1540877065 JRNZQTPDILQRES-BJLQDIEVSA-N 433.553 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(C)CC1 1540905463 SMQZQCTTXGMOEC-CGZBRXJRSA-N 444.623 1.796 30 10 IDEE N#Cc1ccc(NCC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)nc1 1541028008 FIXQIDBMHBTUCM-QGZVFWFLSA-N 429.502 1.139 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1541115670 CXGVCASCSBWKEK-FEDOZNFBSA-N 449.602 1.703 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1nccs1 1541661465 GELMLXRHSVGOPY-UHFFFAOYSA-N 438.517 1.650 30 10 IDEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)nc1 1544279193 BSFFLFYHBIDOJO-RDJZCZTQSA-N 440.481 1.720 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)s1 1545857708 BZRQIANKFJJPPA-GFCCVEGCSA-N 433.552 1.716 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C[C@H]1OC 1555787359 HAFLHMWUDCGCAQ-KDURUIRLSA-N 427.505 1.598 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)C1 1558329445 QGSDCPDMHHUEGH-CQSZACIVSA-N 428.352 1.527 30 10 IDEE C=CCC[C@@H](NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)OCC 1569184579 RZDSTHSQNVMZJE-OAHLLOKOSA-N 427.523 1.897 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)NCC1CC1 1588560098 MTEGSIPHFPIJCU-UHFFFAOYSA-N 438.507 1.706 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc(CC#N)n2)c1 1588722637 NRRIVCHWBVDDRR-UHFFFAOYSA-N 429.502 1.547 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccc(O)cc2)n1 1588723195 KBGZHMJVBXEWLX-UHFFFAOYSA-N 444.499 1.972 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ncn(C)n2)CC1 1588871424 CRPISCRKHXHMLI-UHFFFAOYSA-N 436.520 1.188 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2sccc2C)CC1 1588924184 WRWNKFQUCQYYSF-QGZVFWFLSA-N 440.573 1.808 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)[C@@H]1CC 1589482239 HVWLGOWKTGRLCI-NJAFHUGGSA-N 432.569 1.893 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C 1589608560 KATNDKSWXQNFLR-UHFFFAOYSA-N 434.566 1.686 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1594807302 KSZJHIYIWGMVEM-LSDHHAIUSA-N 430.475 1.895 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1)C1CC1 1595050661 MHIQZMJQKRYFHN-GOSISDBHSA-N 445.545 1.867 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)CCO2 1598615054 MRARXYGVNSECLL-VHEBQXMUSA-N 448.520 1.531 30 10 IDEE CC(C)SCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1611131887 UTFSHZIRDQXHQZ-KRWDZBQOSA-N 439.545 1.105 30 10 IDEE CCc1nnc(N(CCC#N)CCOC)n1CC(=O)N1CCN(c2ccccc2)CC1 1613940149 APTWGQDIGHGFFN-UHFFFAOYSA-N 425.537 1.556 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C 1615871684 FEMMPNKQJVGSOY-YZZKKUAISA-N 440.548 1.799 30 10 IDEE CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1617441325 AWWKVRZEFICWQP-LAQJXLFFSA-N 440.573 1.913 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1618350624 KFBYSUDGLJGBPK-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](N3CCCC3)[C@H](SC)C2)s1 1624667085 MZVKWHQEKBGGHR-JKSUJKDBSA-N 429.633 1.793 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 1627068080 QGGNSCDCSKOEGC-UHFFFAOYSA-N 434.562 1.234 30 10 IDEE C#CCOc1ccc(CNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1629887365 LKOWUSKCFCXGAF-UHFFFAOYSA-N 430.505 1.577 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)NCCNC(=O)c1ccc(Br)cn1 1632741747 ZSJCBWRVRRVPHO-UHFFFAOYSA-N 433.262 1.649 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1635882055 MCBUZDXORVBPNE-UHFFFAOYSA-N 426.473 1.571 30 10 IDEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1640033575 AFMWAAPBPHAGHV-LJQANCHMSA-N 439.501 1.123 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@H]1CC1CCCCC1 1643028610 HQMMBMFIWOQJTB-DNVCBOLYSA-N 432.546 1.522 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 1643369514 FMHYEKBXWPDSMZ-UHFFFAOYSA-N 430.534 1.115 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1650951893 UYAIAXCUBKWHGW-SFHVURJKSA-N 436.530 1.093 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)c3nc(C(=O)OCC)n[nH]3)ccc2c1=O 1651140808 CHAAJXIOZKTWQT-SNVBAGLBSA-N 428.474 1.657 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)nn1 1663554965 IOHYHQDUIZMCBG-IBGZPJMESA-N 449.533 1.311 30 10 IDEE C=CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H](C)COC 1675971872 MWIUNFHKWZFPNI-HZPDHXFCSA-N 433.571 1.643 30 10 IDEE C#C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)[C@H]1CCCO1 1681591966 BWYCJTOEMUCHAV-AVEIZBFRSA-N 448.520 1.391 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1689980227 OJZWXGYGTWBSLC-ZDUSSCGKSA-N 438.504 1.978 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1690009691 GQGCCLZQUGZBOJ-UHFFFAOYSA-N 434.525 1.602 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1690041034 XSDUNCRDJJSBRK-UHFFFAOYSA-N 447.417 1.858 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1690119971 ZXTNYXQARNOBTH-QFIPXVFZSA-N 449.603 1.643 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@@H]2C)CC1 1690134780 FVBOAYAWUKKTDN-FUHWJXTLSA-N 430.553 1.055 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1690345689 ASYAVIBADWGQHC-LSDHHAIUSA-N 430.958 1.707 30 10 IDEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNS(C)(=O)=O)CC1 1690413396 RCYNAYYXSIYBEQ-UHFFFAOYSA-N 429.550 1.468 30 10 IDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)c1ccccc1 1690441652 DFRUTRHGGGWATM-NVXWUHKLSA-N 432.550 1.184 30 10 IDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690503363 ZJOLMQNIAKNNGF-UHFFFAOYSA-N 444.536 1.612 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1690571543 AGLPOXYKEPQURK-KRWDZBQOSA-N 449.552 1.990 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1690622055 GVFZUEFUSZWCPN-ZWKOTPCHSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1690678029 IRITWOXQPCEASW-RTBURBONSA-N 427.505 1.716 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC)cc1 1690679911 CIJLNLFUYZSPJX-SFHVURJKSA-N 435.550 1.680 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@]1(OCC)CCOC1 1690731145 AVNQNRQYGWIZHO-ZWOKBUDYSA-N 442.582 1.392 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1690993179 GRDNJVUXVLMDEE-CABCVRRESA-N 431.522 1.489 30 10 IDEE Cn1cc(C[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C2)cn1 1696856158 CNCFVENCECWKAT-QGZVFWFLSA-N 439.545 1.664 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696922243 VXYNJYWKCGPICS-XXJLXKPQSA-N 427.509 1.034 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2CCCCCO)c1 1698485071 SMNDCKSHFLLOTO-FQEVSTJZSA-N 438.532 1.807 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCn2cc(Br)cn2)CCO1 1698492660 DXJYYMOBUWPXFU-ZFWWWQNUSA-N 436.314 1.560 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1705558196 MSNBSTRHIJILGM-UHFFFAOYSA-N 442.589 1.813 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705566015 LIRNPCFEBOYXOG-IPMKNSEASA-N 435.594 1.283 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1705625455 KZQVESIVHPPCFH-GCJKJVERSA-N 427.480 1.814 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1705629178 YXKGHSJZEKOPRA-GHTZIAJQSA-N 441.532 1.597 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1705639844 XQDSXZMVYAZASG-FPOVZHCZSA-N 426.540 1.979 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705641079 PIWYGTMSXBOKQN-NHCUHLMSSA-N 437.592 1.518 30 10 IDEE C=C(C)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728669 RZSFBQKJTRHFJB-LPHOPBHVSA-N 427.571 1.365 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(CC)CC)CC1 1705769270 NSKKCVHYJYACEH-MSOLQXFVSA-N 440.614 1.498 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(N)=O)nc2)CC1 1705785721 SZWXMUJGNBGYJZ-HKUYNNGSSA-N 426.521 1.947 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705830148 KDICVGPHODCKHF-IBGZPJMESA-N 432.569 1.119 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1705901008 XGGNFLYIRRGFQO-ZDUSSCGKSA-N 425.415 1.585 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1706075397 NEQJKZZLBPXSPJ-VGOFRKELSA-N 440.552 1.853 30 10 IDEE CCc1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709080081 LKTJGUDDUPHHEA-MRCUWXFGSA-N 438.536 1.967 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)CCO1 1711364034 UELMFXONASEREF-OAHLLOKOSA-N 438.410 1.694 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H]1C 1711471273 OQMSFXIQUPPZQQ-HNNXBMFYSA-N 425.493 1.572 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)C(=O)NC)c1 1722309745 PDNGNUWBCLFODZ-KRWDZBQOSA-N 438.532 1.610 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(N(C)C)CCSC1 1722376804 CYWJXUIFYBZPCQ-QFIPXVFZSA-N 447.572 1.431 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722413957 TYZOCYJYLRNDRL-OKZBNKHCSA-N 439.582 1.132 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1722467456 SPDJAEGGEUGMGT-USCONSEESA-N 443.573 1.714 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1722669116 MVXRGNOJFCOTQU-UHFFFAOYSA-N 425.518 1.870 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722739271 CNVPDZGIOGELAJ-INIZCTEOSA-N 425.518 1.683 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOc1ccccc1 1723935142 MHNYLTFPNZWDLX-KXBFYZLASA-N 436.513 1.799 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2COCCO2)C1 1724001774 AYPMTNZFIHEDDY-LAUBAEHRSA-N 445.545 1.894 30 10 IDEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1724134583 UMDLXFTXJVOGNV-WMZOPIPTSA-N 447.565 1.118 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)C1=O 1729592470 JKGUZRUQYUMDKC-OAQYLSRUSA-N 442.545 1.567 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCN2CCOCC2)CCO1 1731187666 VOGGLZIDIGOFOY-LJQANCHMSA-N 428.512 1.849 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1740625187 DQDFKAMWYVSHSY-DLBZAZTESA-N 426.608 1.940 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1740657707 WJLHYLDTVFJTCE-FQEVSTJZSA-N 448.552 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1740658376 HXXVGJCEWQQSPO-UHFFFAOYSA-N 429.546 1.486 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1)C1CC1 1740909808 AFPATNROLRCIRW-LPHOPBHVSA-N 425.555 1.335 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740941625 PEMIEIJJSSFUQC-INIZCTEOSA-N 437.541 1.715 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740954087 BINMQBUDFNQREK-QHCPKHFHSA-N 436.516 1.893 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1740991976 JWIFJTFLGPAQEU-UHFFFAOYSA-N 447.609 1.893 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1742660849 BOMOZSMVNYJRRM-LAUBAEHRSA-N 429.525 1.446 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748803434 YPUUBPOTXDQPMA-ROUUACIJSA-N 438.594 1.646 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1748923023 QQFATAKGJMDEKA-WAIKUNEKSA-N 436.516 1.674 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2scnc2C)CC1 1748973084 XEZBVFDCTUNSLD-UHFFFAOYSA-N 436.545 1.688 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)C(C)(C)C)CC1 1749342598 JCDJBBFSKBTJRA-MRXNPFEDSA-N 444.623 1.796 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 1749450260 AELCCVCRVIGWCK-UHFFFAOYSA-N 428.541 1.615 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1749557301 HIOKOQTYFCGXRZ-UHFFFAOYSA-N 437.548 1.972 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1760117098 MIULSSUZDSRCCU-GOEBONIOSA-N 445.536 1.894 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1760203525 HKTXMZKVJMRTBF-ZWKOTPCHSA-N 430.553 1.609 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nnn(C)n1 1760244707 DQFOKVWNIWACNE-AWEZNQCLSA-N 426.550 1.789 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCN(CC)CC2)CC1 1760266481 ZWQIBWCDUBVNQO-FQEVSTJZSA-N 443.640 1.785 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 1760274810 NJLZDNBQADZUPE-INIZCTEOSA-N 428.628 1.033 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1760277401 JJXYBJDPWVKOAL-UHFFFAOYSA-N 442.589 1.578 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1760316449 SDEVSZVSVVVIDO-PFRQMTDMSA-N 436.582 2.000 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760334418 JZGGEIHGMFWBNZ-SJLPKXTDSA-N 434.566 1.726 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760453073 XGWUZKWWOUXGEP-PGRDOPGGSA-N 433.553 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(C)cc1 1760522036 KJPPCWSFIMLSIA-QGZVFWFLSA-N 447.561 1.306 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](COC)C1 1760526010 ACPOCORRQMWHGP-LJQANCHMSA-N 429.521 1.628 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1763513192 ORJFYIJJCJOSKY-JLXAXMFCSA-N 439.520 1.814 30 10 IDEE CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1766286677 FINOQRVDVBUNLP-CRAIPNDOSA-N 448.549 1.454 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCOC 1772567108 IWQBSVWQJYRKGO-INIZCTEOSA-N 436.557 1.777 30 10 IDEE CN1CCN(c2nc(NC(=O)c3ccc(N4CCCC4=O)cc3)c(C#N)cc2C#N)CC1 1852767955 IRBZWIJOFZOCEU-UHFFFAOYSA-N 429.484 1.956 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@@H](C)NC3CCN(c4nccn(C)c4=O)CC3)C2)CC1 1853447162 XKRDGQLRAXAPGA-MSOLQXFVSA-N 449.621 1.488 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)cc1F 1853772597 YLMPEACOYNAIKA-UHFFFAOYSA-N 431.445 1.769 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1854286677 IXHCZRNJVWUQIA-QZTJIDSGSA-N 436.509 1.342 30 10 IDEE N#CCC1CCN([C@@H]2CCCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2=O)CC1 1856550268 NDTBZOFFYZTWTE-LJQANCHMSA-N 436.578 1.334 30 10 IDEE C[C@@H](Oc1cccc(F)c1)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857043785 XPQRADWUEJACPE-ZBFHGGJFSA-N 437.493 1.533 30 10 IDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)COc3ccccc3Cl)C2=O)C1 1857136360 GQRIVZQMRDSBKB-QGZVFWFLSA-N 426.860 1.876 30 10 IDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873560936 CFKABOQXHBZUHJ-HOTGVXAUSA-N 426.521 1.535 30 10 IDEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OCc2ccccc2)cc1 1874432383 CANOZNYSFJIEQQ-BHGWPJFGSA-N 438.513 1.953 30 10 IDEE COc1cccc(NC(=O)C2CC3(C2)C[C@@H](NC(=O)C#CC2CC2)CCS3(=O)=O)c1 2059855223 RYGOWPMQWNYLRO-OJCRERRGSA-N 430.526 1.889 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243398500 QHPOPTQPQCCMCG-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2255605394 LVFRKUZSZVULOG-STQMWFEESA-N 435.334 1.005 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632954 USMBIGGTSPARRG-OCCSQVGLSA-N 436.318 1.121 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2255637622 HSSFJQVQKOIOME-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255695331 ZRXBGAPZAAOQTF-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267003589 QZLINFZCWPDDIA-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)n1 2267112816 LXEJFVYNOVMVEC-QHCPKHFHSA-N 439.369 1.756 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267514299 XHFBSWZYXWDWPL-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE CN1C[C@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2268654987 GQBCCPZAMVMJEV-MRXNPFEDSA-N 449.357 1.854 30 10 IDEE COc1cccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1OC 2322614617 HOWWYCGSVWYOHK-LBPRGKRZSA-N 426.882 1.720 30 10 IDEE COc1[nH]c(=NC[C@H]2COCCN2C(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339787247 XMWPMGQYBBBFML-HNNXBMFYSA-N 449.357 1.859 30 10 IDEE CC(C)(C#C[C@H](OCCN)c1ncc(I)s1)S(C)(=O)=O 2365243077 HHVUPZFVTRLTFV-VIFPVBQESA-N 428.317 1.591 30 10 IDEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)o1 21321311 NMHRQLWBZQEAGL-AWQFTUOYSA-N 429.462 1.841 30 10 IDEE CCOC(=O)[C@@]1(C)/C(=N\Nc2ccc(S(N)(=O)=O)cc2)C(=O)C(=O)N1c1ccccc1 100207751 IROMPQCBXOJPLO-AKWGVZKHSA-N 444.469 1.040 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)o1 471186427 HZCPNJSDPFSYHE-UHFFFAOYSA-N 432.505 1.954 30 10 IDEE COC(=O)C[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 476761368 URXHZLMUWDOCGK-QKKBWIMNSA-N 447.488 1.959 30 10 IDEE Cc1ccc(C(=O)NCc2noc(-c3cccc(F)c3)n2)cc1S(=O)(=O)NCC#N 476833235 UEIROFWCPAPPHS-UHFFFAOYSA-N 429.433 1.916 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 481114196 DJBCSSMFCJMZDE-INIZCTEOSA-N 432.546 1.476 30 10 IDEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489431970 FPENBAISSWLCIC-KRWDZBQOSA-N 428.514 1.871 30 10 IDEE CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCC[C@H]1N(C)CC(=O)N[C@@](C)(C#N)C1CC1 495414510 IPBWZQYDCMYQGH-DVJXIFHOSA-N 442.608 1.778 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1 508808190 GCTYMTKKBGKOIG-GOSISDBHSA-N 446.577 1.114 30 10 IDEE Cc1noc(CN2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)n1 561483781 NEQDDVUNRJBIAB-UHFFFAOYSA-N 426.296 1.519 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(F)c1 586809394 FJJLXTUSSMZRRA-IBGZPJMESA-N 438.459 1.539 30 10 IDEE Cc1c(C#N)c(NC(=O)CN(C)CCN2CCCS2(=O)=O)n(-c2ccccc2)c1C 610615105 OVIKPZYWTIDPRP-UHFFFAOYSA-N 429.546 1.872 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2cccc(OC)c2)c1=O 677123761 NCKCOCYFIKQFTA-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 727371421 UGFQJKSSXPJNCL-MRXNPFEDSA-N 444.538 1.655 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)[C@@H]1CCS(=O)(=O)C1 729331298 LWTHRVJRRCKRCC-FUHWJXTLSA-N 438.571 1.512 30 10 IDEE C#CCN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[C@H]1CCS(=O)(=O)C1 729332156 URFYWJNOLFLPOE-SFHVURJKSA-N 435.505 1.707 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729670481 TWSJECGQUQHKQR-UHFFFAOYSA-N 447.545 1.473 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731862484 GEPKYQIDNGBNQS-JLUOLNIDSA-N 448.545 1.331 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)C[C@@H](C)O1 732650071 ZGKJJCUWFQEFFC-MDZRGWNJSA-N 432.546 1.297 30 10 IDEE CCOc1cc2c(cc1/C=C/C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)O[C@H](C)C2 732910112 MGVYZVJWGJXLHA-ROHVMALMSA-N 432.498 1.388 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)C[C@@H](C)O1 746151663 ABBJAXGZMUTQJI-JZWCPIJFSA-N 426.473 1.791 30 10 IDEE C#CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccoc2)c1=O 758060687 IMNUOMJRFXCLIP-UHFFFAOYSA-N 433.445 1.049 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 765276200 VQFIPQHSZIXJNO-UHFFFAOYSA-N 443.591 1.567 30 10 IDEE Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n[nH]1 768746166 JUADMUNMXOAPEJ-DHQQEPISSA-N 446.533 1.217 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC)c1cc[nH]n1 772329975 MTLPLEHQHWMCLY-WBVHZDCISA-N 434.493 1.664 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@H]1CCS(=O)(=O)C1 774249286 XSUDJDVUZJELKS-ZBFHGGJFSA-N 443.447 1.643 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Br)[C@@H]1CCS(=O)(=O)C1 781651026 SFAOZYXRWCDRMR-GFCCVEGCSA-N 448.360 1.505 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2CCCOCC2)CC1 787123736 LJNTYSJXBIHDLR-OAHLLOKOSA-N 428.445 1.815 30 10 IDEE C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 790671074 NHOZZBJMGYYLTC-OAQYLSRUSA-N 429.498 1.983 30 10 IDEE C[C@@H](C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl)n1cnc(C#N)n1 798742992 BBEDMQHKUGZRCN-LBPRGKRZSA-N 430.877 1.946 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 802474121 HGWVBKIONVEQMG-SGRLSNSRSA-N 425.489 1.046 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c1 808437860 NSBSSQXDVMSBES-CQSZACIVSA-N 440.481 1.604 30 10 IDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1)c1ccc(Cl)cc1 810473472 CNYPPAUYGPOJIY-GOSISDBHSA-N 441.871 1.601 30 10 IDEE CN1CC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849498098 RZAYBQGKMFLZHR-QZTJIDSGSA-N 449.515 1.924 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 916178963 YMEPGVHOMSYBPR-INIZCTEOSA-N 441.465 1.329 30 10 IDEE C#CCN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 918754991 PXOCBVQYTYLDBS-SFHVURJKSA-N 432.523 1.750 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4cc(F)ccc4C3)CC2)cc1 1136149312 FWOGCMFLSMONCC-QGZVFWFLSA-N 429.473 1.782 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 1136632649 FSQUIOQNFDJODQ-INIZCTEOSA-N 434.334 1.599 30 10 IDEE COC(=O)CCN1CC[C@@H](N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1168940086 DLWYPHGWXUOZQQ-MSOLQXFVSA-N 449.349 1.795 30 10 IDEE CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 1208513578 LIKRWUJMXMCHPF-QGZVFWFLSA-N 425.411 1.542 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)C[C@H]1CS(=O)(=O)C2 1226743919 DTSITQSIECRDKN-IYOUNJFTSA-N 442.463 1.864 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N[C@H](C#N)c3cccc(OC)c3OC)CC2=O)cn1 1267506752 OVSCIHIGQUOUNR-WMLDXEAASA-N 427.461 1.281 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1286323954 MYCFNTGJDCJUNC-IBGZPJMESA-N 436.564 1.970 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286392257 GKBWAULWFZPBTM-MRXNPFEDSA-N 448.545 1.541 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1286410851 XHVRMGSRUDCOIR-OAQYLSRUSA-N 439.585 1.753 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@@H]1C 1286438443 VZJZFZNWPCSTDE-IIBYNOLFSA-N 447.561 1.195 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1286454676 ZURHFWPKIRBHPG-IRXDYDNUSA-N 444.561 1.401 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC2CCOCC2)CC1 1286470068 RYFUWRHMDJQSSI-UHFFFAOYSA-N 437.548 1.887 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCSCC2)CC1 1286481871 JUNAUMKHRJKWNK-UHFFFAOYSA-N 431.635 1.438 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccn(C)n2)CC1 1286491067 CYJQUYCVAXAOPK-UHFFFAOYSA-N 435.507 1.756 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1)C1CC1 1286732626 WSBCXQSALDPLJS-HNNXBMFYSA-N 442.549 1.672 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 1286784380 GDYYJKOGVJZGNA-UHFFFAOYSA-N 440.458 1.642 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 1286789687 VLYGVJQJQIVAQS-UHFFFAOYSA-N 440.548 1.484 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1288302838 SOBSPNWOQPOEIM-QFIPXVFZSA-N 439.520 1.601 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1291617462 AAVWFHSNMXQUBK-GSHUGGBRSA-N 425.537 1.925 30 10 IDEE Cc1cc(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c(C)o1 1292028958 HJZNKXGXEHADOA-UHFFFAOYSA-N 433.461 1.931 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1300272436 MIVFVIDYCDUFTP-SJORKVTESA-N 441.561 1.775 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1300300943 MMORRAYIQZMWAI-HOCLYGCPSA-N 443.363 1.740 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)ccc1OC(F)F 1300430222 KADSBVQJMMCMLN-CYBMUJFWSA-N 427.477 1.916 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(CS(C)(=O)=O)c1 1300432128 CQMYHQFHPAFTEM-UHFFFAOYSA-N 431.562 1.859 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300491740 ILHIHMMWHHDOTL-DLBZAZTESA-N 449.577 1.205 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300526293 BROUMTBYBDJIAW-UHFFFAOYSA-N 439.523 1.762 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1300578711 GUFIHCKNNVDCDV-IRXDYDNUSA-N 434.491 1.048 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1 1300665011 WPAHWJHPEGFIMO-DYESRHJHSA-N 431.924 1.876 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301012590 DEVAUVFFORAIBY-UHFFFAOYSA-N 429.912 1.624 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301023526 UEDPQEMKRJDMAS-WMLDXEAASA-N 428.493 1.368 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C)C1CC1 1301327228 OPENYIKAJFSBQN-DLBZAZTESA-N 441.598 1.827 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1301406935 ZDJOVRLIAWISNG-MSOLQXFVSA-N 439.582 1.749 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(COC)CC1 1301478861 QINLAIGDTBPWNI-UHFFFAOYSA-N 427.509 1.481 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301482879 FFESQWFEBTZQMZ-BXUZGUMPSA-N 448.325 1.053 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301507091 WGLZNUFDACIOQB-UHFFFAOYSA-N 443.515 1.159 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(=O)NCC)cc2)C1 1301554473 HNAWRMBHQHGWKT-MOPGFXCFSA-N 438.532 1.809 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301579388 QNTFSFUUCZKYQS-HXUWFJFHSA-N 434.566 1.977 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1301593864 WFZZYKJQXGKDAU-GASCZTMLSA-N 449.602 1.963 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN(C)C(C)C 1302310951 GBTQNCSVFZABGM-SXLOBPIMSA-N 431.585 1.519 30 10 IDEE CCOC(=O)c1ccc(C#N)c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)n1 1307287456 NTAMTGCJFNWLTK-UHFFFAOYSA-N 432.424 1.701 30 10 IDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1=O 1313916371 ASXVQKABUXUVSA-UHFFFAOYSA-N 428.562 1.991 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(F)c3F)c2=O)cn1 1319633376 VSRVDXASIOWYQC-UHFFFAOYSA-N 426.448 1.783 30 10 IDEE CC(=O)N1CCN(Cc2cccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)CC1 1320506798 FLYPJIXVFPTWMZ-DQRAZIAOSA-N 425.489 1.206 30 10 IDEE C=CCn1cnn(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1=S 1320790351 UMPAJSGHVKIBRM-QGZVFWFLSA-N 430.582 1.413 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CC2)nc1 1355327942 NOFVERQSTBZXBQ-OAHLLOKOSA-N 431.543 1.203 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NCC 1358878063 PGKGSVQXNHNOPB-OAHLLOKOSA-N 431.562 1.969 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1358889746 FYXAUVVRSAQOTB-QAPCUYQASA-N 429.546 1.870 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1358890054 KIGGYMRASAKQKP-XLIONFOSSA-N 438.557 1.931 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1358910334 LMQCPXJGSHYXTA-UHFFFAOYSA-N 432.532 1.908 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)[C@@H](C)CCC 1358946499 XIAYSJKZWMRVGC-INIZCTEOSA-N 435.532 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ncnn2C(C)(C)C)CC1 1359043953 OVTCFYDREGSLIK-UHFFFAOYSA-N 448.535 1.096 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(c3nc(C)ns3)CC2)s1 1445023144 APANOUODMISOLC-UHFFFAOYSA-N 441.604 1.654 30 10 IDEE COC(=O)c1cccc2c1CCN2C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1456291057 OACQKKDOJHLNFD-UHFFFAOYSA-N 427.482 1.881 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 1460224492 ZVWJPTQYQTVAPW-WBVHZDCISA-N 441.506 1.854 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 1460706576 GSHKQFFRRUQKNF-UHFFFAOYSA-N 427.530 1.617 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(F)cc(I)c1N 1466130192 CAMKCCRLFXMKJK-UHFFFAOYSA-N 442.236 1.894 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 1469876355 FLQVJAADJHFHIQ-UHFFFAOYSA-N 445.335 1.822 30 10 IDEE CCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1503210910 JYLUTQXBUUYCAO-HOTGVXAUSA-N 436.513 1.352 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1503403113 UNZWAZJASLQWJT-QZTJIDSGSA-N 426.477 1.509 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1CCOC1 1504975994 SYNVKEPNOKRFQW-HOTGVXAUSA-N 442.520 1.964 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-n2cccn2)cc1 1505002718 XLNRPNKKOSOVPH-YLJYHZDGSA-N 437.504 1.965 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1507594592 GQBHDEQDCMITFC-UHFFFAOYSA-N 447.561 1.751 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1c(F)cccc1F)N(C)C 1507617470 UPZUQMKHTBZQTR-WMLDXEAASA-N 437.516 1.831 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCC(O)CC2)CC1 1507876323 BXEPQUDDOUIRAI-UHFFFAOYSA-N 425.537 1.929 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC(C)C)CC1 1508077014 JKEHKFZMLGITBH-UHFFFAOYSA-N 437.548 1.666 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1508080913 SXBSFFGDOJAHRA-UHFFFAOYSA-N 444.540 1.286 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508139525 BUKOKXIREHNTQD-QGZVFWFLSA-N 444.623 1.940 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1508666616 ZXXADNLGQUDUTJ-HNNXBMFYSA-N 433.513 1.044 30 10 IDEE CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1509431936 TVFQVXOUXJCEQS-JLUOLNIDSA-N 443.552 1.086 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1518612064 KTNWFCBIIKSELG-IELSJNNDSA-N 425.493 1.661 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2cccc(O)c2)C1 1521062432 CWRZYUBVYYGPDT-OAQYLSRUSA-N 436.451 1.703 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(c4ccccn4)CC3)n2CCOCCCO)c1 1521075074 IFQXMIPLPBKJIV-UHFFFAOYSA-N 433.516 1.937 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1524820175 AIGYNTFADQJLKC-CYBMUJFWSA-N 442.335 1.726 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1539015412 PYZULJYJRYFYLM-AEFFLSMTSA-N 428.562 1.682 30 10 IDEE C#CCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1539141064 RYUMQSIXLZKVFI-OFNKIYASSA-N 430.597 1.560 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1-c1ccccc1 1539232738 NJVACUXOEZPRKU-UHFFFAOYSA-N 437.467 1.627 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)Cc1ccccc1 1539284424 MULGWDSKXKLPRH-UNMCSNQZSA-N 435.528 1.734 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCC(C)C)CC1 1539446443 CIDLWYGICFWTLP-RXVVDRJESA-N 437.610 1.123 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539513731 RDRPTXRQBZRGLY-INIZCTEOSA-N 437.533 1.238 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccn2)CC1 1539759868 MJIHQBRSJXMIKU-OALUTQOASA-N 443.552 1.711 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOC(C)(C)C2)C1 1540895023 JUWOJNIFXDXKKA-SFHVURJKSA-N 432.569 1.293 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1543481635 AYVOWVXRYPOEFS-GFCCVEGCSA-N 435.410 1.162 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)c1 1545200470 MHYFXDGYXDQWOU-UHFFFAOYSA-N 447.601 1.840 30 10 IDEE Cn1cnnc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1554353342 VTIGINAYPSJWSD-MNVSYLFESA-N 445.503 1.668 30 10 IDEE CO[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCOC1 1554709256 ACVMXDINZWNVMX-NRFANRHFSA-N 425.493 1.861 30 10 IDEE COCCN(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1555520098 PMAKAHFLLBPLQV-GOSISDBHSA-N 429.481 1.550 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1562081806 HUEBXPMCYZWIEE-INIZCTEOSA-N 439.534 1.656 30 10 IDEE C#CCN(C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1564733270 XEUIELCSULOKPN-HNNXBMFYSA-N 427.567 1.996 30 10 IDEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)O1 1566990631 ZLPAEGHEKFARIS-JXRXQSRMSA-N 434.537 1.525 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)COc2cccc(Br)c2C#N)ccc1O 1568824260 FXYYAZQLOKSXCP-UHFFFAOYSA-N 440.275 1.952 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1 1568917810 NHRKWXTXQNVBMB-INIZCTEOSA-N 431.518 1.789 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1587822964 HSJNGPQYQLHCON-IBGZPJMESA-N 431.500 1.997 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1588064683 MXQDWVFKPBINON-INIZCTEOSA-N 428.543 1.395 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1588314698 NPKHBVLVTWDDHQ-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](COC)OC)CC1 1588761889 BNHOKOITHYOBGV-OAHLLOKOSA-N 437.342 1.452 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1589482808 LWBRNJUPEQZTIG-LNLFQRSKSA-N 444.580 1.893 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1593740751 DTWCFAPEWGGCDR-MRXNPFEDSA-N 425.555 1.225 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1594497126 APAFKXJQGNUGNY-BBWFWOEESA-N 441.598 1.827 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(OC)CCOC2)C1 1595744292 LEMZWRFJUGKXHR-KKSFZXQISA-N 447.561 1.856 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CCO1 1596633451 LQPUMDGJTJLTRS-SFHVURJKSA-N 448.474 1.830 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)CCOC1 1610894600 KHFQMGLRGATNCR-SIKLNZKXSA-N 432.569 1.658 30 10 IDEE CCc1nnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1613904999 DQSACYOTPGDQRX-UGSOOPFHSA-N 435.579 1.772 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)C[C@H]1O 1618884200 SVBRLBUXNPRSPH-UYAOXDASSA-N 432.484 1.815 30 10 IDEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@H](O)C(F)(F)F 1619102460 BFAVJCWRNAGLPU-ROUUACIJSA-N 446.445 1.406 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1 1619322164 ILGMMSVOURAOKD-RTBURBONSA-N 429.477 1.400 30 10 IDEE COC[C@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1619611155 FEJNBOVWDRXCGT-OLZOCXBDSA-N 427.278 1.759 30 10 IDEE COCCN(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1619870831 YAYXIZAZGOSRLA-VXPUYCOJSA-N 428.468 1.617 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1620099844 PWARTKIVUKDVIT-GRDNDAEWSA-N 427.502 1.021 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1620155007 LIWMHXVHKARUCH-GOSISDBHSA-N 445.545 1.636 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccccn3)n1CC(=O)NCC(F)F)C2 1620348822 AEKKNXBKEZLLBV-UHFFFAOYSA-N 440.414 1.256 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CC(N)=O)C2)n(Cc2ccc(F)cc2)c1C 1620471135 HAUGWMDRTXNWAR-SFHVURJKSA-N 427.480 1.679 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1620656043 BHJNXYJWGDDZCD-HNNXBMFYSA-N 441.351 1.297 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1623659021 IOJNGYBTFZVXHL-LZWOXQAQSA-N 428.938 1.906 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1623951694 SSHOSMQDYISKBZ-SUNYJGFJSA-N 436.958 1.875 30 10 IDEE CC(=O)N[C@@](C)(C(=O)N[C@H]1Cc2ccc(C#N)cc2C1)c1ccc(S(C)(=O)=O)cc1 1624816652 JLNFIDXVINKFKO-SIKLNZKXSA-N 425.510 1.597 30 10 IDEE C=CC1(CC(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1625790229 BPWUUEMUYMKENG-MRXNPFEDSA-N 430.567 1.852 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(=O)NC[C@@H]3c3ccccc3)C2=O)cc1 1626571317 RARPERHKIXMJOG-RBUKOAKNSA-N 431.452 1.463 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)cc1 1628666036 AILGCWXJSIXWRU-FQEVSTJZSA-N 425.510 1.894 30 10 IDEE C=C[C@@](C)(O)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1630401679 KYNMUOSCIMOJSL-SELNLUPBSA-N 443.500 1.756 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(F)cc(I)c1N 1631463079 FHBAWTAQEPPKQU-UHFFFAOYSA-N 446.264 1.701 30 10 IDEE COC[C@]1(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CN(C(=O)OC(C)(C)C)CCO1 1632223862 PNPIGWKYSQXQBI-GCJKJVERSA-N 433.505 1.703 30 10 IDEE Cn1cc(I)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1638202769 DOOOLTYVVVROFH-GXSJLCMTSA-N 445.261 1.514 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)s1 1643776771 BMOKCMQFLKUHQL-INIZCTEOSA-N 426.564 1.364 30 10 IDEE COC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2ccc(F)cc2O1 1644269145 ZJEYJDQXGZKZCI-KPZWWZAWSA-N 447.444 1.331 30 10 IDEE CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 1644726563 ICSGMSBIXBZSRX-UHFFFAOYSA-N 447.366 1.816 30 10 IDEE CSc1ccc(CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1C#N 1645402273 CZVCIABOTJHBJC-INIZCTEOSA-N 439.946 1.889 30 10 IDEE COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(OC)c1 1645472196 PCWGYJAGJUFCCE-UGSOOPFHSA-N 431.470 1.264 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1648606222 LSNAZDUOOBPLSO-UHFFFAOYSA-N 425.420 1.781 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn(CCOC)c1 1671510569 LGIIUHHGAMKFNM-UHFFFAOYSA-N 426.539 1.553 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 1686918238 HVEUBRXZMDBQOS-IBGZPJMESA-N 428.470 1.985 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1689971930 AWJGUNJDZUCZLV-OALUTQOASA-N 439.543 1.555 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689978226 PJROLBNFSPZTJD-SFHVURJKSA-N 429.546 1.400 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689993418 CXMSQBZYFJSJFJ-UYAOXDASSA-N 429.590 1.640 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1690080351 PQHKFGXLBDKSPG-JOCHJYFZSA-N 426.590 1.931 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 1690152753 WTXVKPKVXJCPEN-NFBKMPQASA-N 429.565 1.986 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1690236402 MFWUTVTXPRLOFS-ZWWNWMABSA-N 439.520 1.608 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690313270 PBXFGNFAGYLSRX-ZWKOTPCHSA-N 439.582 1.078 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 1690317423 ZDFFUQFVIAEQHF-UHFFFAOYSA-N 446.596 1.542 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690532711 SHZDNCKCKYLADD-CQSZACIVSA-N 438.579 1.173 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690666707 DNICOFKHJWKXBA-IBGZPJMESA-N 438.532 1.383 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690669234 YOQLMCHKJZOILF-MRXNPFEDSA-N 440.552 1.416 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690670404 BBSSUCXLOBIIQR-SFHVURJKSA-N 430.553 1.313 30 10 IDEE Cc1cccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1693181652 ISNMHHILPRIQLP-QQMHEVNUSA-N 437.504 1.790 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C(C)C)CC1 1697714642 CPXKDUREIUPNDH-QHCPKHFHSA-N 440.548 1.955 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1698253936 GFFWLGQZRVUVKZ-QRFRQXIXSA-N 446.552 1.522 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCSC2)cc1 1698488120 CUQWMNZJLVHGGH-XLIONFOSSA-N 426.502 1.326 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1705491070 XKWPGMTUDLQECF-KRWDZBQOSA-N 435.532 1.372 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1705565938 KVDNRELHOFFSMP-NFAHFFEMSA-N 431.518 1.599 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705738627 DLKYKLMYVYUZMV-UHFFFAOYSA-N 436.520 1.443 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1705844013 UGWTYPZCBHSAMA-KRWDZBQOSA-N 435.506 1.010 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NCC)CC1 1705906426 DMEQYKCPRDNLNZ-UHFFFAOYSA-N 445.499 1.150 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCCCCC2)C1 1705916091 YSVMHBJFDZDFIX-SFHVURJKSA-N 432.569 1.990 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705936366 POSIVIOHJDEXFI-ROUUACIJSA-N 439.582 1.425 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706024020 IKWWGQLAFDCOQU-ZBBYCGENSA-N 443.552 1.498 30 10 IDEE CC(C)c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1706274506 JRTPWQONPQFGKI-BCHHYXHLSA-N 438.554 1.186 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)CC1 1711410364 MKSRMSQKKBLTJE-UHFFFAOYSA-N 436.476 1.461 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCC[C@H]1CO 1722282309 CFCMWDYLQLCZHG-MSOLQXFVSA-N 425.537 1.620 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCC[C@H]1CO 1722282318 CFCMWDYLQLCZHG-ROUUACIJSA-N 425.537 1.620 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@@H](C)C1 1722350121 MTBZTJJVSUUISX-SFHVURJKSA-N 449.559 1.762 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 1722365273 DKVWPBKAEIVXCJ-QGZVFWFLSA-N 430.530 1.677 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1722365906 GGVRQRUGPLRZDQ-RDJZCZTQSA-N 436.484 1.735 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367961 NSDHJLKXTOBYMP-QZTJIDSGSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1722368179 PJXZCXQHZFMWAW-JXFKEZNVSA-N 426.583 1.281 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(N)=O)nc1 1722423887 SHWZQRQMLXVMOE-UHFFFAOYSA-N 425.880 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2CCC)CC1 1722447567 MKXMUUWZESZDMP-FGTMMUONSA-N 433.578 1.507 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1722492478 SRHDKIOUGPCTPT-PFRQMTDMSA-N 441.598 1.875 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722695214 XCOBDYKDWHPQLZ-INIZCTEOSA-N 440.504 1.329 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1 1722706982 CMBKFZABUGMFHT-LJQANCHMSA-N 441.532 1.690 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1722736656 DOKCSEVPJDDCQC-UHFFFAOYSA-N 430.582 1.941 30 10 IDEE Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726398165 NQCQSMBKDMIVIC-NXVVXOECSA-N 427.431 1.187 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1730925040 SUKJEPQNUYPAHG-HTAPYJJXSA-N 427.505 1.864 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC1CCCCC1 1740542439 VMEINWZMBMKXHM-MRXNPFEDSA-N 433.520 1.828 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740616871 ICXHQTVMQMZWTR-NQIIRXRSSA-N 438.594 1.992 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCN(C)C1 1740632453 JQWKFAZGKGPXFO-FQEVSTJZSA-N 428.334 1.847 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740874009 KXFVPQGIBNRQRE-HOJAQTOUSA-N 443.596 1.574 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740955591 ZAPGXYXQWHGEKW-OPAMFIHVSA-N 427.505 1.640 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)CCOCC2)C1 1740972606 KJDQKLCVKMJQSG-JKSUJKDBSA-N 427.571 1.486 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1741113249 INUVTEJCDABIJW-UHFFFAOYSA-N 435.532 1.934 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCn2cncn2)c1 1748694782 NZTOITGTXWRYLW-UHFFFAOYSA-N 441.499 1.612 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1748748097 QVCKTBXQBCDIOI-UHFFFAOYSA-N 448.531 1.550 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1748766225 JWXXEFVOPSICMU-UHFFFAOYSA-N 439.911 1.376 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1748766581 SAJPIPQZXGNQAL-ACJLOTCBSA-N 425.942 1.519 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748804735 KKXMGGUXIRWYAM-INIZCTEOSA-N 439.582 1.895 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748819987 WISMGQMNTJCMGD-LJQANCHMSA-N 427.530 1.237 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748825230 WRYNKHMSDDZZQM-NXOAAHMSSA-N 442.607 1.380 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1748913305 QYKWVTGUXAQXHQ-GCJKJVERSA-N 427.553 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccco2)CC1 1749008791 GBKVGRHCLJTQOO-JOCHJYFZSA-N 435.488 1.202 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)C(C)C 1749557996 QEGZOTLWRFSYBP-MSOLQXFVSA-N 429.569 1.254 30 10 IDEE COCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749656154 LJJNMOYGQGBNKE-WMZOPIPTSA-N 436.582 1.173 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1749669738 JQSFBQFZCZLBGS-SJLPKXTDSA-N 426.496 1.740 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749670100 RCQBSDFJEXRWAY-LJQANCHMSA-N 442.539 1.936 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749729801 SEQSFNWBKHJRDC-YOEHRIQHSA-N 449.964 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@@H](C(C)C)C1 1749731284 AQCRIFZJUUSAHC-LSDHHAIUSA-N 427.596 1.408 30 10 IDEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)CC1=O 1749857986 FCTSDIMXOJTABZ-HZPDHXFCSA-N 440.508 1.016 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NC(C)C 1749966575 KHXGJPYIIUPWAP-AWEZNQCLSA-N 443.508 1.062 30 10 IDEE C[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1752048198 FTKOIXHYZKDZFA-CRAIPNDOSA-N 430.534 1.781 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1760109911 HSALGOTWWYSUFL-INIZCTEOSA-N 427.534 1.480 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCOCC1 1760165350 PFVCSOSKUPSECC-UHFFFAOYSA-N 432.550 1.158 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1760217455 BNRRYLGEIRYXOB-FQEVSTJZSA-N 430.512 1.867 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760357075 DDNLXDAFNHJYHX-PKOBYXMFSA-N 448.593 1.575 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCO2)CC1 1760402648 PYYHCOSQSVLJCI-XLIONFOSSA-N 439.582 1.583 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760413159 ZKTGIGGOLJDULD-GJZGRUSLSA-N 432.612 1.652 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760502808 MRANJIJZCILFGJ-FQEVSTJZSA-N 436.534 1.142 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760528024 PPUJZSCNJWHPLE-GWTOYCKXSA-N 429.496 1.896 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CC)C1 1760542543 IISSUZWTVMTKFC-GUDVDZBRSA-N 437.610 1.836 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)(C)O)cs1 1762292852 OHFHDVGTHQXZBG-UHFFFAOYSA-N 438.561 1.998 30 10 IDEE Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1767501863 HFSMYCXPGSPZOU-KRWDZBQOSA-N 440.533 1.721 30 10 IDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc(OC)c1OC 1768303781 AFVFNHOJQKKELJ-SPLOXXLWSA-N 444.467 1.745 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)OC 1769237738 HOLOMZLZWSDNNU-SQNIBIBYSA-N 426.477 1.413 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCCN2C(=O)c3ccccc3C2=O)cc1 1852102870 OMRYZYCPDVMWSA-FQEVSTJZSA-N 435.480 1.951 30 10 IDEE CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2nc(-c3ccccc3)ccc2C#N)CC1 1852832032 HRWNOZOQXSZSTD-FQEVSTJZSA-N 439.541 1.693 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)CCc1ccccc1 1856331760 CCJLPMOBLRCJCM-QGZVFWFLSA-N 425.510 1.733 30 10 IDEE Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)[C@H]1C 1856880546 HLIIPMATCJGBEF-CYBMUJFWSA-N 432.889 1.977 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858293349 YLGGHKZLZOWEMW-UHFFFAOYSA-N 432.487 1.895 30 10 IDEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870524832 KRLYARIANMUDTE-SFHVURJKSA-N 440.548 1.440 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1896046922 JHHWLKHZRIXIJQ-BZUAXINKSA-N 425.526 1.780 30 10 IDEE C=CC1(N[C@](CNC(=O)OC(C)(C)C)(COC)C(=O)O)CN(C(=O)OC(C)(C)C)C1 1904535931 HWIWOWHDSRUXBM-HXUWFJFHSA-N 429.514 1.746 30 10 IDEE CC(C)(C#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)NC(=O)OC(C)(C)C 1993919528 OEHCGUMPLOHTKY-GJZGRUSLSA-N 425.526 1.780 30 10 IDEE CC(C)(C#N)N1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2145993324 BMFQBTGCNORKCH-UHFFFAOYSA-N 432.546 1.702 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676222 GZPHKBSTTOEKRM-PWSUYJOCSA-N 427.332 1.655 30 10 IDEE Cn1nc(C(=O)NCCNOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247844699 GWRNJQLATCBUIT-UHFFFAOYSA-N 434.733 1.824 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247961658 HXELMUMDTSKOHY-WCQYABFASA-N 440.293 1.893 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406077 VPKAXTAJFZOFJE-VXGBXAGGSA-N 438.359 1.891 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255629563 XPPZCGNGNPJSHZ-YWVIFJGQSA-N 432.330 1.646 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)nc2)OC1(C)C 2255644142 GEYFKTAJXAHAEK-KRWDZBQOSA-N 428.220 1.059 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)OC(C)(C)C)C1 2255815678 QYPKUZLGWWJGNX-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255828684 GHHXAQMACFUMKQ-ZIAGYGMSSA-N 436.318 1.073 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256069245 KJDCBMJNFICSML-HDJSIYSDSA-N 432.330 1.809 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267113697 XQZMYBVCIZSIRO-STQMWFEESA-N 447.345 1.052 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267266834 SNWVYDFHWQUKTQ-JKSUJKDBSA-N 447.341 1.745 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2267269107 CAZURCRVUBVIGE-HZPDHXFCSA-N 449.357 1.424 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]2C1 2267513767 QQZGIRHYODEKQP-QLFBSQMISA-N 446.357 1.942 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2267518958 GYLSZYHKKOWAGX-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267519912 KNIWTGNXIDGETC-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)nc2)OC1(C)C 2267541998 LITBZNOJQTVPJR-LJQANCHMSA-N 438.337 1.407 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(F)c(C#N)c1)NC(=O)OCc1ccccc1 2286032737 JXNZQHKYANQLDJ-QGZVFWFLSA-N 435.433 1.907 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 2296610743 FOHOJFNURZHUIY-HXUWFJFHSA-N 439.516 1.576 30 10 IDEE COC(=O)c1ccc([C@@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc1 2296615735 MYYFUHLVUHFLJT-LJQANCHMSA-N 438.484 1.863 30 10 IDEE COC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2315692318 YOKGWFGYWMRLIC-UHFFFAOYSA-N 427.310 1.843 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)CC1=O 2327842793 LXEVHPRJGJUWJF-LBPRGKRZSA-N 432.506 1.263 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2337293580 DOUMWFNVSYVHLQ-ZNMIVQPWSA-N 446.357 1.705 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 16557267 IAGMMAZJKVPWAS-UHFFFAOYSA-N 430.526 1.840 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 443520188 JSTOENDCYMMIPD-UHFFFAOYSA-N 430.305 1.447 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@@H]1CCCO1 447268353 VCNXJFCYFDCXDU-LBPRGKRZSA-N 435.958 1.609 30 10 IDEE CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466133115 MVRNAFOKSYERRW-UHOSZYNNSA-N 432.546 1.778 30 10 IDEE CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C)C1 471214494 BGAYFDAUDSVGIT-ICSRJNTNSA-N 447.605 1.053 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@H]1CCCO1 479394442 MOUJQJHWNCAYEF-CYBMUJFWSA-N 435.958 1.609 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 482155947 HAXYIMZZEFMFRD-LIRRHRJNSA-N 444.488 1.628 30 10 IDEE CNS(=O)(=O)c1csc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 482523346 MWFBNLHXGTVQAN-CQSZACIVSA-N 436.540 1.682 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OCC)c2)CC1 489080271 UIMYIPUCMQWRNK-UHFFFAOYSA-N 429.926 1.125 30 10 IDEE N#CCC(=O)N1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 503623821 GVIIIPNBWYLEIL-UHFFFAOYSA-N 432.527 1.676 30 10 IDEE COc1ccccc1NC(=O)CN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513790458 YIIAVZNJRSHKAR-UHFFFAOYSA-N 442.541 1.597 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 564613564 QUHAOGBPVYRIBK-KRWDZBQOSA-N 426.587 1.108 30 10 IDEE N#Cc1cc2c(nc1N1CCN(CCn3nc(-c4ccncc4)ccc3=O)CC1)CCOC2 585587365 RIFRWGGMIQTCMA-UHFFFAOYSA-N 443.511 1.467 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@@H]1CCCO1 590914074 UNDGAKOHDBMKPF-AEFFLSMTSA-N 441.553 1.051 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2Br)CC1 727447265 WABGQDMBQFTNAB-QPEQYQDCSA-N 428.352 1.669 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cscn2)cn1 730145358 ZVIUAPKHGQWNNU-OAHLLOKOSA-N 448.574 1.746 30 10 IDEE C#CCN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCS(=O)(=O)C1 731212639 AXGJIOLYYJRHSA-KBPBESRZSA-N 436.755 1.965 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 731215436 DDPVENQCLOKGFY-LLVKDONJSA-N 437.293 1.168 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)cn1 732561510 OIJSYPSODNDXMY-SFHVURJKSA-N 434.521 1.691 30 10 IDEE CC(=O)NC1(c2noc(CCC(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)CCCCCC1 732650695 BTMHBKYKWQMLIX-GOSISDBHSA-N 428.537 1.887 30 10 IDEE N#Cc1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1F 732667933 BDJLCTUGHHSWRH-UHFFFAOYSA-N 429.417 1.537 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C(C)C)c3)c2=O)cn1 732796463 FYPUAYWTOJDUCZ-UHFFFAOYSA-N 449.536 1.952 30 10 IDEE COc1ccc(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 742470276 CMCSKNKRBZMUHM-INIZCTEOSA-N 442.541 1.861 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 754530469 VATNFJRLRVQEIL-NQIIRXRSSA-N 446.596 1.921 30 10 IDEE COc1cc(C#N)ccc1COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 766864399 RCIDCMGNEYLTHH-YWZLYKJASA-N 432.498 1.955 30 10 IDEE COc1cccc([C@@H]2[C@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCN2C2CC2)c1 779351385 LAJHIJKYBAIJIU-LFFPZMNTSA-N 439.516 1.799 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)ccc1F 781845523 NFLILFYKAUBHHO-UZLBHIALSA-N 442.509 1.767 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 795071585 CQGITOLGIAOJEA-CQSZACIVSA-N 446.344 1.635 30 10 IDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 802540072 OFNJNUQRZZRYML-DYESRHJHSA-N 437.548 1.452 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)COC(=O)N4)n2C[C@@H]2CCCO2)cc1 802688000 CRKVHBNUDGQQNQ-SFHVURJKSA-N 438.488 1.987 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 812187625 AXPRPWKDZRXZDW-IEBWSBKVSA-N 448.593 1.320 30 10 IDEE CCn1cc(C=NNc2nc(SCC(=O)NCc3cccc(OC)c3OC)n[nH]2)cn1 1084384413 IVDMLPHJHDZKOY-UHFFFAOYSA-N 444.521 1.893 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C1CCOCC1 1131257470 PTCCIGVDZQVVGO-LEWJYISDSA-N 432.542 1.977 30 10 IDEE CO[C@]1(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCSC1 1156138408 LRNPDIKTMGWDOL-KXBFYZLASA-N 425.576 1.778 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 1175210612 CWQUWCJWHMSMON-IBGZPJMESA-N 433.921 1.878 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC1 1175514813 JBUAXJWQZZDRSO-UHFFFAOYSA-N 436.534 1.040 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc21 1178756975 HZLFOZGTJRFXJB-YRVVQQKDSA-N 449.533 1.253 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286397800 CUFJDNRYDLRFGD-JOCHJYFZSA-N 446.555 1.488 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(C)(C)O 1286415969 ODOSJACPJSVJIN-UHFFFAOYSA-N 434.588 1.877 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc32)C1 1286799783 AFKITRULIINXHZ-BRWVUGGUSA-N 447.561 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCOC[C@H]1C 1286820087 DTXVVPAMCGVTMI-CRAIPNDOSA-N 434.518 1.617 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1291317488 PRFSMOYKLDRAQW-ZJYNUGOYSA-N 437.504 1.870 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(C(=O)NC)c1 1293113001 BMWZMVAMZGLPGN-MRXNPFEDSA-N 445.531 1.625 30 10 IDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1300403790 PYFUREDMAFPSQX-UHFFFAOYSA-N 433.516 1.805 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1300409236 GLXQRHPMYONFCS-GOSISDBHSA-N 431.562 1.919 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1300479970 WJOCNMLFHDXBFJ-IXDOHACOSA-N 442.545 1.769 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCCO 1300806223 RNHQRQORPQUHMK-FXAWDEMLSA-N 439.582 1.156 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300863216 KXMWSIXKIFZQQR-HOSILWTGSA-N 440.342 1.626 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCC(C#N)CC1 1302496323 CQYZUGTZVPKBQK-UHFFFAOYSA-N 436.513 1.675 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 1302921877 XJCXOIYORGOCQU-UHFFFAOYSA-N 429.473 1.282 30 10 IDEE C#CCn1ccc(CN(CC)[C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)n1 1307735686 HKMCMPKDARECLW-OAHLLOKOSA-N 426.473 1.939 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)[C@H](C#N)C1 1309386116 CBJADDHTNYTTFN-GDBMZVCRSA-N 443.547 1.269 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316226161 CJIHXDDZLKVERP-ICSRJNTNSA-N 427.505 1.974 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC(OCC)C1 1358997381 QGHTXUHLOFNATC-UHFFFAOYSA-N 441.557 1.663 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(C(=O)NCC)CCC2)CC1 1359047612 NAWILHSMYXZKLK-UHFFFAOYSA-N 430.553 1.087 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1359121784 IWLQJFBSIPHYMB-KRWDZBQOSA-N 435.554 1.090 30 10 IDEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)c1ccccc1 1359193799 JSJFRHFATUODFA-AEFFLSMTSA-N 446.577 1.575 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCNC2=O)CC1 1359228417 CFKMOEXJDGOZBH-UHFFFAOYSA-N 425.537 1.851 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@H]1C 1359240640 UKNBNAQPAYSOLB-GOSISDBHSA-N 426.569 1.795 30 10 IDEE C=CC[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1453000438 RZXJNOPCUDMVSC-WMZOPIPTSA-N 428.576 1.583 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3nc([C@@H](C)OCC)no3)CC2)c1 1459599897 WKOALDBBRXWFLB-MRXNPFEDSA-N 440.504 1.614 30 10 IDEE CCOC(=O)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1464037463 QYIGJYBCNRPQAN-HXUWFJFHSA-N 441.509 1.738 30 10 IDEE C#C[C@@H](NC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O)c1ccc(Br)cc1 1468451187 PIIGNMXYHBHCAU-QBPKDAKJSA-N 431.290 1.164 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1469519989 XTEIUODTMIIJJX-RYGJVYDSSA-N 440.566 1.603 30 10 IDEE CNS(=O)(=O)CCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1469834683 XTBSWWYAORSJRN-KNVOCYPGSA-N 433.321 1.348 30 10 IDEE CN(Cc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1503494448 IUCUZJNGIBHCQT-QGZVFWFLSA-N 446.489 1.353 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505026911 CYKMIEFXRIIGEF-UDJKBAMHSA-N 441.492 1.041 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2Cc3ccccc3O2)CC1 1507718363 CQNRYNVYWNMVCL-UYAOXDASSA-N 425.533 1.761 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)C(C)(C)C)CC1 1507738116 KBUXLLMNIHJUJR-DLBZAZTESA-N 430.553 1.256 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507800464 NONAWEJYYYYNAD-BQFCYCMXSA-N 434.566 1.976 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507846869 AJHCLHVRWUEVTD-KRWDZBQOSA-N 439.582 1.397 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1508014832 FKRCUKUBPWBWNM-UHFFFAOYSA-N 445.545 1.386 30 10 IDEE C=CCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1508066775 WWIMFTPTPSQPDW-QFBILLFUSA-N 425.555 1.121 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@](C)(O)c1ccc(F)cc1 1510147351 BRDWZTXIUSDDRG-CKFHNAJUSA-N 438.529 1.673 30 10 IDEE Cc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1510779759 DTKVPZYJGRWAAT-MEUCICPISA-N 426.477 1.988 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCOCCN(C)C 1512365588 ILIYETPZBGCUCN-KRWDZBQOSA-N 441.584 1.531 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1513970576 FYDRKTZPYIVGAX-LJQANCHMSA-N 435.532 1.934 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H]1C 1515808813 GNNRXTXZZLXOPB-ROUUACIJSA-N 437.548 1.594 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC(C)C)CC1 1517624043 CCXUMIMFPBNPSD-UHFFFAOYSA-N 432.550 1.760 30 10 IDEE CO[C@H](C)c1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cs1 1517752959 AKENOFKXOPRQEB-HIFRSBDPSA-N 431.522 1.455 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1519437883 UVZHCHAJFFTYLL-SPEDKVCISA-N 449.575 1.470 30 10 IDEE Cc1cc(C2(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCOCC2)on1 1534519609 KUJHOYUIYODCMR-KRWDZBQOSA-N 437.456 1.882 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539231363 RPNVIDARWBGINI-CEXWTWQISA-N 435.594 1.631 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@@](C)(O)c1ccccc1 1539392172 MUOVCCIPLLHCOF-HSZRJFAPSA-N 425.533 1.898 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)CC 1539548123 GDJUMPIPRYJPGA-HXUWFJFHSA-N 431.518 1.605 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1539811638 GCCMVHLOXCXOSQ-UHFFFAOYSA-N 426.912 1.746 30 10 IDEE C[C@@H]1C[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1543713927 ZMZPPOJGNWPQAX-NCOADZHNSA-N 432.525 1.971 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCC1 1547602722 CGUBMBKHEKAKSS-UHFFFAOYSA-N 447.561 1.905 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1552700227 GMTBWJYZKZXPMC-UHFFFAOYSA-N 444.561 1.957 30 10 IDEE COCCOCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1555718024 XNHJPYBLFUDTFU-OAHLLOKOSA-N 439.476 1.376 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(F)(F)CC1 1556023113 STCDZKZFVUMICA-ICFOKQHNSA-N 449.462 1.276 30 10 IDEE N#Cc1cn(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)nc1I 1559429986 QFFGKKBAIFEDCV-UHFFFAOYSA-N 441.204 1.407 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(Br)cc2F)CC1 1562506268 TYMUZGDRKKIUAJ-UHFFFAOYSA-N 437.266 1.344 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CCN3CCOCC3)CC2)s1 1569144960 XTCXMUDBUWDHNC-UHFFFAOYSA-N 441.619 1.716 30 10 IDEE CCOC(=O)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1585600067 LBUWTOJZTOGDHD-KGLIPLIRSA-N 440.378 1.764 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1 1586661107 DEFFGIMXICIZBS-UHFFFAOYSA-N 433.417 1.263 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1587638337 CZYVOJQFTMVBJV-PKOBYXMFSA-N 445.589 1.627 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2COCCO2)CC1 1588749852 AKNXAFQWQPBWQQ-MSOLQXFVSA-N 429.496 1.728 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1588946884 IJVUDYUHNMCPII-KRWDZBQOSA-N 435.594 1.267 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589053668 RPVDMGQYAKWNLP-MRXNPFEDSA-N 434.591 1.533 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1593625336 QJGNFDUZRACPGZ-ZWKOTPCHSA-N 429.569 1.328 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1595127364 NHLBNOIJBJMNHZ-HNNXBMFYSA-N 436.438 1.942 30 10 IDEE CC(C)(C)NC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1597433792 HMFPFWXFCJQNBL-HNNXBMFYSA-N 427.509 1.925 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)C1 1611769177 LPSMVAHYXMGKFT-XXBNENTESA-N 443.596 1.767 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)CC2=O)cc1Cl 1616200721 VBQLIAZVJGNUAN-YJBOKZPZSA-N 435.933 1.990 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1618252357 QCHOVRJEJADUII-UHFFFAOYSA-N 442.549 1.449 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1([S@](C)=O)CC1 1620020443 YEAZWWWBZFWLRE-IGWBVUALSA-N 436.582 1.090 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 1622519262 WQZMXXBEMYMFKF-LPHOPBHVSA-N 445.516 1.734 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1627475661 LMGMNBCWKXHNML-NEPJUHHUSA-N 447.410 1.606 30 10 IDEE COCCOCCN(C)CCC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1627769600 QTRYODYCENPVNA-UHFFFAOYSA-N 425.533 1.740 30 10 IDEE N#C[C@]1(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCc2ccccc2C1 1634340143 QHKXJBQNTUIHJN-ICSRJNTNSA-N 433.917 1.547 30 10 IDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(N2CCCCC2=O)cc1 1635770882 APIMZQWBDCQJHD-LDBYXDLTSA-N 430.530 1.844 30 10 IDEE CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636311 AYQXMIRQNRUXJK-UHFFFAOYSA-N 434.456 1.738 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)cc1 1640767252 VLLIZNYOAKCRMR-UHFFFAOYSA-N 439.534 1.211 30 10 IDEE COc1cc(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1OCC(F)(F)F 1641033785 HWMSYTXHMXUDAF-UHFFFAOYSA-N 440.378 1.519 30 10 IDEE COC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 1642110917 GYOSMIGHDADAAA-LIRRHRJNSA-N 427.482 1.524 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCN(CCC#N)CC2)CC1 1643821973 JEYZFZZQLLZYQQ-UHFFFAOYSA-N 449.533 1.362 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCN(CC)CC2)C1 1652628989 RSRWTYJJDCQFSC-IBGZPJMESA-N 447.605 1.132 30 10 IDEE CC(C)CNC(=O)c1cccc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1 1652998100 LFRBVFIERDFLIA-UHFFFAOYSA-N 440.500 1.657 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CCOCC1 1656099296 BKXZSDFKLZKVOB-GFCCVEGCSA-N 429.292 1.487 30 10 IDEE Cc1ccc(NC(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1 1656344111 SPZIRBSGEHTQAX-GDZNZVCISA-N 426.336 1.955 30 10 IDEE CC[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)N1CCOCC1 1667735052 AUPQIVLHSVPRKY-CYBMUJFWSA-N 434.287 1.376 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1676030964 MXAWZHDVAGWGHE-OALUTQOASA-N 447.580 1.337 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 1681515821 MMABDVOTYJTHCP-KKSFZXQISA-N 425.445 1.157 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1689924734 RNLZDJNGMGWKNN-WIYYLYMNSA-N 436.564 1.527 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1689930070 KGQZQHFUNYEVGU-INIZCTEOSA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1689989347 DQWQYDNTUCWMGZ-HZPDHXFCSA-N 435.937 1.505 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1690115922 WXRFVFJWAIRIHR-IBGZPJMESA-N 438.557 1.397 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690672575 WMFRBVHCYUHJAN-FQEVSTJZSA-N 447.628 1.010 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690742039 DZCHTTXCZPSVGV-ZDUSSCGKSA-N 441.579 1.794 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1692844987 AXMXINWZDZFYBK-WIYYLYMNSA-N 443.577 1.818 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1694220907 LKAZGEPFNKDNCM-FIKGOQFSSA-N 434.541 1.352 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CCO1 1698493588 NATQOKJMSSBRTC-SJLPKXTDSA-N 437.566 1.648 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1705496081 ZIKSJGKBKDMRCF-PXNSSMCTSA-N 438.557 1.931 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1705562054 YBLJGGKADYNCOJ-CRAIPNDOSA-N 444.561 1.820 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1705600525 BQOLHLXWPKOMJV-IBGZPJMESA-N 428.562 1.427 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)NC(C)C 1705628955 SXUJWGMLKJAUAO-LJQANCHMSA-N 427.505 1.791 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OC)CC1 1705632276 LLPWWBRRCGAPAG-UHFFFAOYSA-N 431.500 1.738 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1705709006 JXIUVBMUKFLLHW-HRAATJIYSA-N 427.505 1.783 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1705883835 XAXKVZLMCJSOFA-MRXNPFEDSA-N 432.525 1.365 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1705901846 XZCJVXXDKZJPME-KRWDZBQOSA-N 436.582 1.289 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1705938766 ISTUMSUKMMMARS-XLIONFOSSA-N 442.582 1.392 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1706077180 GMVCIRISKDGHQX-OAHLLOKOSA-N 427.534 1.690 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1706082061 XHYSZFYYSAHUNV-HNNXBMFYSA-N 425.537 1.878 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1706668970 GXPVVKMKIIGXKJ-GCJKJVERSA-N 432.569 1.779 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1706743858 GEOXOIZSDLCXDF-MRXNPFEDSA-N 444.561 1.845 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)CCN1C1CC1 1712885054 YBFXJZCNTMEIJT-VXGBXAGGSA-N 444.284 1.393 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1722276427 HVDFSPPEFXYZGJ-JTSKRJEESA-N 446.573 1.981 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722360691 IRHVCIJBFSERBP-IBGZPJMESA-N 445.593 1.037 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722378222 BKPSSCFJJOMFNY-NRFANRHFSA-N 441.495 1.974 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCNC(C)=O)CC1 1722435459 NOLJWFXVXUNYGK-UHFFFAOYSA-N 445.365 1.989 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCn2cc(C)cn2)CC1 1722446346 SNEDULIXIGBIFS-UHFFFAOYSA-N 432.532 1.819 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722458214 FZMAOSDMBGKLKF-SJORKVTESA-N 446.621 1.974 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1722629371 KHUMJGYRBXBEDX-MRXNPFEDSA-N 426.539 1.162 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1722667390 NUYNURRYDMODAF-MRXNPFEDSA-N 445.549 1.528 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1722676664 HJLROJWFVJSLQY-UWJYYQICSA-N 449.577 1.075 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722713575 HVWNTZIFATUUMR-NQDNANIMSA-N 442.520 1.827 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)C1 1722719165 RFZWZJCJOPGXIH-OALUTQOASA-N 437.610 1.838 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1726746746 UBOSGRBOUTVKBC-YOEHRIQHSA-N 429.475 1.871 30 10 IDEE CC[C@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1727745166 PMAKCFOYWABHFM-YOEHRIQHSA-N 434.522 1.503 30 10 IDEE CN(Cc1cscn1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1729438609 HUFZHKQKZWBLFC-LJQANCHMSA-N 444.542 1.459 30 10 IDEE CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729745971 YQVAQRUNIWVNDF-UHFFFAOYSA-N 445.549 1.095 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cc(CO)nn2)c1 1730226360 GYDVFSOROMQWIS-HXUWFJFHSA-N 426.456 1.570 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)c1 1730994107 AUVVHYPBERWTSS-QGZVFWFLSA-N 430.534 1.173 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 1740558320 RYKRVLMMXWMMQE-KRWDZBQOSA-N 443.621 1.754 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1740616691 FNTSBDJPPUXGSB-ZBFHGGJFSA-N 446.520 1.674 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740717107 JSABPAUUZCHSLH-SJORKVTESA-N 447.586 1.599 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740960067 KKZFEAVHAQPJAJ-KRWDZBQOSA-N 445.593 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740990655 YKBKIUMHHVMXDJ-OAHLLOKOSA-N 449.537 1.051 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)COC(=O)N2 1740991465 XCHCGIYQWPKIQY-OAHLLOKOSA-N 439.538 1.199 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740994116 IZSPHEKRKKJZMH-FQEVSTJZSA-N 434.566 1.317 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1747372288 LORNHJIZCRPUEV-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1748276897 AXSKTCPBYFVOMO-UHFFFAOYSA-N 448.531 1.880 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnnn1CC1CC1 1748647317 MVEUQLBHNFDDGK-NSHDSACASA-N 430.314 1.938 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCOCC1 1748656043 KGDXBPIWKUPHBO-QZTJIDSGSA-N 435.536 1.347 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748811031 AIDBPFCLQYYVHO-MSOLQXFVSA-N 443.577 1.094 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1748829195 YCIJSAXSBNOOJM-UHFFFAOYSA-N 445.321 1.391 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1748859608 WWMBGYJJJIJBRX-IEGUWTFLSA-N 443.548 1.927 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1749640493 ZAJRBWRAROLNJH-QGZVFWFLSA-N 436.582 1.417 30 10 IDEE COCCOC1(Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1750027954 JXJGOWOKMUKFGB-IBGZPJMESA-N 427.505 1.886 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)n1 1751831981 BFXKOJUHVBUVRG-HNNXBMFYSA-N 429.506 1.276 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1760117401 OJMAVHJRPONRAT-QFBILLFUSA-N 449.552 1.759 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1760163634 YFKYDTBPLKWQOO-CYBMUJFWSA-N 445.467 1.947 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@H](C)C1 1760208963 QDGDOJDVUHQGIH-HXUWFJFHSA-N 449.559 1.889 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnc2n1CCC2 1760245074 QFPCLBDZSUIHON-UHFFFAOYSA-N 437.504 1.634 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1760270243 VHYUGSBKPNSZOI-LJQANCHMSA-N 447.605 1.869 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1760295403 SGFACPHQOBDBPB-DYESRHJHSA-N 429.546 1.753 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1760296191 YZPQIYDEYXAFEO-XMSQKQJNSA-N 448.637 1.198 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760436178 KVJWKXOZXOYPPE-XLIONFOSSA-N 426.569 1.634 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760449742 SVXFEFVCTWDHNC-FQEVSTJZSA-N 440.596 1.933 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760519622 JZYMEYLDCDIJNQ-ZDUSSCGKSA-N 425.942 1.770 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760556343 AKBYLKFTAMEOBO-OAHLLOKOSA-N 437.547 1.172 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCCO)CC1 1761546345 ULRHRRGBSPWSKO-UHFFFAOYSA-N 447.561 1.878 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cs1 1762283793 CZUDZJGBFMDUQB-HNNXBMFYSA-N 431.419 1.754 30 10 IDEE Cc1ncc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)s1 1762328500 CRWAAOUVKPGSFU-NSHDSACASA-N 435.535 1.803 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1765740067 ZHOSLUFVJCFLAW-CJNGLKHVSA-N 427.465 1.457 30 10 IDEE CCOCc1nnc(N2CCC(C)(COC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767819142 QQFKVHSVDQCVEE-VHEBQXMUSA-N 432.525 1.594 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1769899252 BOOKZZQQVZNNKF-UHFFFAOYSA-N 439.520 1.427 30 10 IDEE COc1ccccc1O[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1770487246 FSEDBZAFGLFAIS-IAGOWNOFSA-N 440.504 1.719 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1)OC 1770778865 DBTQCVPLFVUPGK-FQEVSTJZSA-N 428.537 1.921 30 10 IDEE CC(C)N1CCN(C(=O)c2ccccc2C(=O)N=C2NS(=O)(=O)c3ccccc32)CC1 1850105328 BDRSPJDZZJQIPU-UHFFFAOYSA-N 440.525 1.732 30 10 IDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)OCCN2CCNC(=O)C2)CC1 1850719966 CSWAAWPRNVCDCU-UHFFFAOYSA-N 425.464 1.437 30 10 IDEE CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCc3nc(C#N)cc(Br)c32)C1 1852895606 FFOAFAYSYQUITF-LLVKDONJSA-N 427.324 1.667 30 10 IDEE C=CCC[C@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)CC1=O 1855753804 MLWLXBJCKDNCLU-ROUUACIJSA-N 425.595 1.996 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC[C@@H]2CCCO2)CC1 1855846846 YDGRVENNSFSFTE-KRWDZBQOSA-N 431.514 1.986 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)C1 1856412650 UYMQGAQOPQSJGH-KRWDZBQOSA-N 432.546 1.450 30 10 IDEE C=CCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n2ccccc12 1858340430 SPSIBOSKWWQUJI-UHFFFAOYSA-N 426.498 1.938 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155370 JTNKLNLBAUYCNV-UHFFFAOYSA-N 447.367 1.290 30 10 IDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CCCO2)cc1 1870157090 MNDDPQHMJPUDJM-SFHVURJKSA-N 425.493 1.328 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CC=C)CC=C)cc1=O 1870560002 FINZCXIYDNLZCX-UHFFFAOYSA-N 427.526 1.730 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCCCCCO)ncnc21 1875232472 JUZFPEILXPDPFP-UHFFFAOYSA-N 430.553 1.332 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)CC1 1889339223 QFCHKAKGFYKDQC-UHFFFAOYSA-N 441.620 1.799 30 10 IDEE COc1ccc(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(OC)c1 1890308298 OWIAGNPSCPRVJN-UHFFFAOYSA-N 443.588 1.895 30 10 IDEE CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCC(COc2nccnc2C#N)CC1 1891431739 RTSVEWTZWSXSIK-LJQANCHMSA-N 425.464 1.852 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2 2216030917 MGRRNWLRDVHYDG-DOMZBBRYSA-N 425.345 1.840 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248434412 XSIUJDWJNWPPPE-GFCCVEGCSA-N 441.359 1.192 30 10 IDEE CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248446446 ZAECTDZDFTVIEQ-UHFFFAOYSA-N 438.359 1.891 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCC(C)(C)O)Cc2ccccc2)n1 2255607776 CZAYAPDBVWXFRZ-UHFFFAOYSA-N 428.342 1.918 30 10 IDEE C[C@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2255624584 GMNULCFCVYGOBC-UONOGXRCSA-N 434.346 1.847 30 10 IDEE Cc1ccnc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255827981 ASRQPEPEFXHVMH-CQSZACIVSA-N 435.330 1.305 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256724513 LXXBJJVQVNDBAT-CABCVRRESA-N 437.346 1.982 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)n1 2267505043 BZPXFSWDIACQBM-NXNIQBKKSA-N 446.357 1.895 30 10 IDEE CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306365 MEEVHRYRKZMCNX-UHFFFAOYSA-N 443.805 1.366 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303951736 YWZALLMEHDFMJM-CQSZACIVSA-N 428.335 1.319 30 10 IDEE CCOc1cc(C=Nn2c(COC)nnc2SCC(N)=O)cc(Br)c1O 2331566136 KHEKRFGYDVGIMP-UHFFFAOYSA-N 444.311 1.751 30 10 IDEE O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 97061157 NAIWVRCBVGVQSG-SFHVURJKSA-N 437.462 1.744 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c1=O 101350957 NTXQROIALVAGGP-UHFFFAOYSA-N 431.449 1.875 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 107920522 CHMOISCVNWEUTP-HXUWFJFHSA-N 426.561 1.602 30 10 IDEE Cc1nc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)n[nH]1 465394778 LPEOVORTDMGMDX-UHFFFAOYSA-N 436.497 1.799 30 10 IDEE N#Cc1ccccc1N1CCCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 477002398 OJGBCQKGTNRIJT-UHFFFAOYSA-N 431.539 1.789 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3cccnc3C#N)cc2)C[C@H](C)O1 477056679 LDQPZFMKUNCNEK-GJZGRUSLSA-N 430.486 1.769 30 10 IDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1OC 489293645 NSTMNAJMQFRMIM-UHFFFAOYSA-N 430.486 1.426 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 504352544 RUGBDASMQGBOAM-GOSISDBHSA-N 437.562 1.643 30 10 IDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 506965865 XDFANRHOTVXBGY-QGZVFWFLSA-N 432.502 1.619 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 508511532 UYIAEBKQEZUXLR-INIZCTEOSA-N 427.534 1.866 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC(F)(F)F)CC1CC1 514971577 ALNBDKNOYJZFTP-CQSZACIVSA-N 437.488 1.966 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCS(=O)(=O)N2CCCC2)cc1 523671714 GNVINELXFWHPRA-KRWDZBQOSA-N 436.559 1.604 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cc1C#N 531938801 VAKDSGMBTQPNEX-UHFFFAOYSA-N 446.488 1.699 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO2)CC1 549488127 NWUMJIYUSXJCNB-IBGZPJMESA-N 435.532 1.891 30 10 IDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 549891270 WXHLPUNGVCYWSG-IEBWSBKVSA-N 445.545 1.779 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCCO2)CC1 555502945 ROGUYGUJFFOJSM-SFHVURJKSA-N 427.553 1.277 30 10 IDEE CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586854039 FCZUWNJWXZZKGP-UHFFFAOYSA-N 437.475 1.298 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)C2=O 603591859 ZMPPYKZYGAEXAR-UHFFFAOYSA-N 440.504 1.573 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 609252673 IGSGLVHULITCMC-UHFFFAOYSA-N 447.448 1.822 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 617049659 XXBOKQUCUDAECI-UHFFFAOYSA-N 425.530 1.891 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730143585 USXUUUHNUQDNNL-WMZOPIPTSA-N 447.605 1.827 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC1CCN(C(=O)c2ccccc2)CC1 739002326 HYGDAFXZTKRKDY-VXPUYCOJSA-N 425.489 1.364 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 742174650 AYDYFFGHJNIJFF-UHFFFAOYSA-N 446.554 1.205 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 746191561 WAEFXWFONVVTMT-UDJKBAMHSA-N 425.470 1.315 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 748067065 YFGAZZHRETVKDY-UHFFFAOYSA-N 446.912 1.811 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)ncn2)cn1 756870601 NBTDNSBUOSASBS-QGZVFWFLSA-N 444.565 1.201 30 10 IDEE CC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 757965629 LAFSQYFCDXWSID-INIZCTEOSA-N 430.324 1.892 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1Cc1ccccc1 758576666 GLLNOBRQUYICFI-UHFFFAOYSA-N 445.548 1.202 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 762599847 XXHZITOBZQOJNH-CRAIPNDOSA-N 435.546 1.973 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)cc(Br)c2)c1=O 772275899 GHSZBNWLLSTTGH-UHFFFAOYSA-N 444.354 1.948 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 779189595 STOWQRDLJZEAGH-GOSISDBHSA-N 431.470 1.695 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)n1 790105161 FRAIACXNOVYFQE-UHFFFAOYSA-N 441.532 1.108 30 10 IDEE C=CC[C@@]1(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790647595 FUJRYSSHLPVPLF-CVDCTZTESA-N 436.597 1.855 30 10 IDEE COc1cc(OC)c(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)cc1Br 796744775 PUOATTLHLYGTOU-UHFFFAOYSA-N 426.248 1.852 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 799836862 GETLLSNPSJCQHQ-PLRJNAJWSA-N 445.545 1.884 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1F 805776173 PCUUADQDGYDEMH-KRWDZBQOSA-N 444.916 1.058 30 10 IDEE C#CCN(c1nnc(COCc2ccccc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812394635 FATIUTDGQGGJCB-WOJBJXKFSA-N 444.557 1.658 30 10 IDEE CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1 915363853 KCMMSVOCANQOLN-SFHVURJKSA-N 439.472 1.314 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccccc3F)n2N)cc1 1084511546 WQQSQJCNEHERQE-UHFFFAOYSA-N 429.481 1.994 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)[C@H](C#N)C1 1138108717 SZFKPAAYTXOZFP-IAGOWNOFSA-N 444.488 1.245 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1141630353 OGUBIOZJCNSFGU-UHFFFAOYSA-N 425.463 1.156 30 10 IDEE Cn1cnnc1N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1144236889 ILHNPEIZPDJMMV-ZGOJQLDESA-N 429.525 1.251 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc2ccc(Br)cc2c(=O)o1 1144429760 YQWXMHYCVVKDPB-ICFOKQHNSA-N 432.230 1.812 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCCc3ccc(C#N)cc3)CS(=O)(=O)[C@H]2C1 1147172303 OFUNJBYKGNSVOX-QRVBRYPASA-N 447.557 1.887 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1F 1154694497 UDBSKBYXBVDSOC-HKUYNNGSSA-N 439.553 1.911 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156669991 MPUUYAURSKSTHJ-AHIWAGSCSA-N 433.477 1.275 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 1163485611 VCWSDPMGZIOUPF-NRFANRHFSA-N 442.537 1.858 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1233928061 MIZMADUUJGGUPZ-LSDHHAIUSA-N 441.269 1.512 30 10 IDEE C#CCNC(=O)CN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1264042323 XSOVFMVDZQFBSL-XTXPQADFSA-N 425.504 1.273 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2COCCO2)c1 1286312439 XXCPFQRDNZTYHX-NRFANRHFSA-N 446.511 1.736 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)N(C)C 1286425463 ZLUYVJYPZMWBCW-UHFFFAOYSA-N 445.545 1.317 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1286556951 SFDVFIVLOSXQJM-WDSOQIARSA-N 426.521 1.581 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286784112 WUZXREHFSBQMCE-MRXNPFEDSA-N 440.504 1.281 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1287218447 YJFMAZAPWXWUKE-INIZCTEOSA-N 429.550 1.429 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)C1=O 1288133539 DLPJRHHZTDYNEW-GJZGRUSLSA-N 434.493 1.211 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1288355245 YHWUCYQJHIVCRB-LJQANCHMSA-N 433.530 1.973 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1288979140 BSOAGYBVDDKQAM-ZIAGYGMSSA-N 436.534 1.344 30 10 IDEE COC(=O)Nc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1299464636 DTSPCQYEHNJIHU-QGZVFWFLSA-N 439.476 1.356 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)CCOC1 1299800694 FOZGUFQFVBSMMX-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1=O 1300398564 GRAVIHUEFAERFD-JPYJTQIMSA-N 436.468 1.526 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300499885 ZGOKGCHSHTVAMU-KWMCUTETSA-N 434.587 1.394 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1300631024 KOCDJTJTMMYEKG-SFHVURJKSA-N 428.562 1.683 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)CC1 1300726167 MEIKDGAWBSOIAS-IBGZPJMESA-N 441.557 1.194 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1300733710 MKCUZGWKTBMQDS-CQSZACIVSA-N 445.611 1.090 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300912533 DXBGHSIFBAIFRU-ZWKOTPCHSA-N 431.585 1.574 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1301253032 VEEVINJUKJVSBF-HNNXBMFYSA-N 446.581 1.562 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1301297603 QXZSULYIBVRMEL-PEGYKEAPSA-N 427.571 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301490565 VLDBZSSRAOJWLJ-ZDUSSCGKSA-N 432.912 1.576 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301577308 MRUWSEMDSJBPPQ-OAQYLSRUSA-N 445.545 1.271 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ncc(Cl)n1C 1301578278 VIDNCVKCXFRTIQ-UHFFFAOYSA-N 437.957 1.908 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(CS(C)(=O)=O)CC1 1302239912 CBWMMDCWMCNIMP-JYJNAYRXSA-N 425.555 1.565 30 10 IDEE C=CCC1(O)CCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1303791328 OJLSUZWITCSJOB-UHFFFAOYSA-N 430.567 1.730 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(C)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304537923 VBDWGWBCIXFERM-VZCXRCSSSA-N 435.488 1.058 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1314552155 MPWLTAAYCJPEEN-LJQANCHMSA-N 431.497 1.588 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1314884738 AAEPWEMPIIXAFW-NRFANRHFSA-N 445.545 1.229 30 10 IDEE C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 1317742759 ZOSDMWRVQBFXLO-VAODSVERSA-N 435.484 1.942 30 10 IDEE CO[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)C1 1343449209 UGYJMIVHOGOHJD-BBWFWOEESA-N 430.530 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(OC)CCOC1 1358976062 PAGXPLNTMAKDIS-NRFANRHFSA-N 442.545 1.117 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1358977611 QSLPNTUCZVFDHH-ZPGVXSSASA-N 441.576 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2([S@](C)=O)CC2)CC1 1359044055 SXKJDRKOIBSTHJ-PMERELPUSA-N 426.546 1.217 30 10 IDEE C=C(C)Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359125261 WBQRQPXHCGWADM-FQEVSTJZSA-N 441.598 1.755 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359297111 FYXLKMNLRXMAQW-KRWDZBQOSA-N 428.512 1.545 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCc2nccn2C1 1360667492 ZSDBCHCKYVRFSM-NVXWUHKLSA-N 446.581 1.477 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1360793479 FIPBRCRGAARNSR-UTKZUKDTSA-N 442.545 1.486 30 10 IDEE Cc1cc(C)nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CC2)n1 1361042383 BLZFDGRGEOCJSC-UHFFFAOYSA-N 445.531 1.638 30 10 IDEE C#CCN1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1444335501 AEYZKHVAVRQYCI-SFHVURJKSA-N 439.965 1.041 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 1455114637 GUBKAXCKOLNCTA-UHFFFAOYSA-N 433.559 1.105 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 1459927832 BZWKZFKESBMKHU-UZLBHIALSA-N 427.567 1.662 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1464618565 OWYZTRUEXQYFIN-UHFFFAOYSA-N 428.599 1.592 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1464686367 KBVHPWFBINHSLO-SFHVURJKSA-N 427.505 1.285 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOc3c(cccc3C(=O)OC)C2)c1 1464686484 QPZQIMPYMYYMQH-UHFFFAOYSA-N 430.482 1.972 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1469764022 DZCIJJKSNGZUGE-SJORKVTESA-N 436.472 1.871 30 10 IDEE N#Cc1c(CCCNC(=O)NCCN2CCCOCC2)nn(-c2ccc(F)cc2)c1N 1470334719 NLBUXBXEDOBBPT-UHFFFAOYSA-N 429.500 1.419 30 10 IDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(N2CCCCC2=O)cc1 1470367470 APIMZQWBDCQJHD-KUDFPVQQSA-N 430.530 1.844 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2cc(F)c(F)cc2C=O)CC1 1473103119 NGHSXQZJKXLYKA-UHFFFAOYSA-N 449.435 1.561 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494251837 CGKPRXISTUCACB-AYAKEVCGSA-N 433.472 1.568 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](COC)C2)CC1=O 1504899635 GYIRAFKCJZSMMX-RBUKOAKNSA-N 438.532 1.784 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1505321779 FADNLLJBDMBMIZ-RBUKOAKNSA-N 445.545 1.516 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(OC)OC)c1 1507516084 JSTHNWFVFBALQB-CABCVRRESA-N 435.550 1.686 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1507588161 GTTFREUFYYGFNT-DLBZAZTESA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507637915 NLAIEVVYKMBJEI-FVJLSDCUSA-N 436.578 1.698 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1507690642 UQJQRTUCBGHMCZ-JMQGSBJISA-N 434.587 1.567 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1507710581 IEYWBXUIWNAPMC-ZWKOTPCHSA-N 444.557 1.833 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1507820910 PNUMGNUDOCTVKG-CVEARBPZSA-N 430.596 1.550 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507884386 HOMKRTDLTWXJSX-RTBURBONSA-N 436.626 1.363 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1508057709 KSBJBUHMRQFGNH-OAHLLOKOSA-N 429.525 1.229 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508081376 YFWBOMJNQZWHIO-OAHLLOKOSA-N 442.524 1.483 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)CCOC)cc1OC 1516275761 DHSKJKQNUUUCEN-JTSKRJEESA-N 445.520 1.869 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539089498 OCVWZXYTYGRBOL-UHFFFAOYSA-N 436.520 1.677 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1539324918 ZKXAHTRAUYCKRE-IBGZPJMESA-N 431.606 1.908 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)(C)C 1539350684 VBUNIQFWACSLHL-UHFFFAOYSA-N 431.562 1.970 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccnc2OC)CC1 1539462548 IHYGCZHRJAFXRM-OALUTQOASA-N 426.521 1.209 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539772972 PKZOAKQKDVPEAD-HUUCEWRRSA-N 426.949 1.536 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1540510579 ARSITBCRPDAGCC-UHFFFAOYSA-N 431.493 1.444 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1541111188 GSQXGYNTOZKVTB-AOYOOGHLSA-N 439.545 1.699 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1554149866 BIQNGBKLFXCUPG-XLIONFOSSA-N 447.586 1.556 30 10 IDEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C1 1555601181 KMSBSABWDVCWTK-APWZRJJASA-N 440.548 1.955 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCOCC2)C1 1555983946 HCBODNNPNWGHKA-HXUWFJFHSA-N 443.439 1.544 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C1 1556132219 GZBIMDPGRONUPE-SWLSCSKDSA-N 443.435 1.363 30 10 IDEE C=CCCC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OC 1558380101 AZGNMCYOIVHNLL-LJQANCHMSA-N 437.562 1.315 30 10 IDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC(c2cccc(Cl)c2F)=NO1 1558642785 CZEFHTGCWIHJBA-FJNPEDAXSA-N 425.869 1.759 30 10 IDEE C#CCN(C(=O)N[C@H]1COc2cccc(Br)c2C1)[C@@H]1CCS(=O)(=O)C1 1565259055 PWCYSZBLPRWDCL-CHWSQXEVSA-N 427.320 1.585 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2Cc3ccccc3OCC2=O)n1 1565336686 GTKCQPQWYWEENR-UHFFFAOYSA-N 425.489 1.096 30 10 IDEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2 1568814644 YHLIWSGRABRCRS-QGZVFWFLSA-N 430.530 1.549 30 10 IDEE CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1568920924 IZOOYIFGSSYECC-KRWDZBQOSA-N 436.534 1.744 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2nccs2)c1 1587693201 QWDPRSDWHBFYAP-QGZVFWFLSA-N 449.540 1.985 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC1CCOCC1 1587970463 YMWXIPSYWMAKDE-UHFFFAOYSA-N 446.577 1.893 30 10 IDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)Cc1ccon1 1587974954 HLAGBOQPSFMFEA-UHFFFAOYSA-N 439.501 1.603 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588055200 SWYUFRLJCWCFRE-CEXWTWQISA-N 449.621 1.529 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588074128 JSQZJPUUYWVPQZ-QFBILLFUSA-N 444.561 1.266 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cn(C2COC2)nn1 1588078566 IOMOLEGKFRBGJQ-UHFFFAOYSA-N 444.499 1.431 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1588237856 GRZHHBLVDKCLGZ-UHFFFAOYSA-N 432.572 1.804 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589513790 BSQVSPYXKAWEJC-WIYYLYMNSA-N 441.580 1.901 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1594992593 LOIPXYIHZRTHNJ-DLBZAZTESA-N 436.582 1.227 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1617313151 DOAJUZJPMHBWBW-AEFFLSMTSA-N 442.545 1.214 30 10 IDEE C#C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C1CCOCC1 1618323360 SYIPPMKFIMUJDM-QGZVFWFLSA-N 432.546 1.301 30 10 IDEE COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619917943 KYZFBJKOTQKGQU-MRXNPFEDSA-N 434.504 1.977 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1619990185 PFSWLYLYMVWUBW-PERWBAPNSA-N 440.451 1.374 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)C2)nn1 1622925236 DLRRIQXODBQRAS-RELWKKBWSA-N 445.505 1.382 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1625562223 ZWGIZOPJIPGBPU-OAHLLOKOSA-N 427.548 1.418 30 10 IDEE Cn1ccnc1[C@](O)(CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1626425143 RBHIYCLMLZYFQV-MRXNPFEDSA-N 448.398 1.426 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1626719683 ZSUZCOOOMRHOOD-MRXNPFEDSA-N 428.489 1.399 30 10 IDEE Cc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1B1OC(C)(C)C(C)(C)O1 1627264390 DYZWSWVQCKYKIR-CZIZESTLSA-N 425.294 1.550 30 10 IDEE Cc1cccc(N2CCN(CCCCNC(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1629806409 PDEWDLRXXLRYRR-UHFFFAOYSA-N 438.532 1.238 30 10 IDEE CNC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(F)cc1C 1630951303 QUNZUHBDIFYNLS-QGZVFWFLSA-N 446.504 1.005 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](NC4CCOCC4)C3)C2=O)cc1 1637000058 LEJXZTVYNQUWKP-AZUAARDMSA-N 439.516 1.523 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1cnn(C)c1 1637067292 VEBCVMVETYRCDJ-KZNAEPCWSA-N 439.863 1.260 30 10 IDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NC3CCN(CC#N)CC3)cnn2c1 1638310354 LYGZQUKRKIVYEU-UHFFFAOYSA-N 427.509 1.514 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(C1)OC(=O)Nc1ccc(F)cc12 1640324534 KBLKYCQNTJNTNZ-LBPRGKRZSA-N 444.444 1.664 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1640794119 JQFGHVRUVWYSID-FQEVSTJZSA-N 428.510 1.872 30 10 IDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1642903175 CHZVHDIJXUNTTN-INIZCTEOSA-N 428.555 1.407 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1)c1cc[nH]n1 1643850678 XHUIEAFIKBXYQH-GOSISDBHSA-N 443.504 1.019 30 10 IDEE COC(=O)C1(O)CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1644204897 AHNQCGUFCRXPCB-UHFFFAOYSA-N 425.466 1.649 30 10 IDEE N#C[C@]12CN(C(=O)[C@@]3(F)CCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1648155950 SONRYVWOZNIYFI-PWIZWCRZSA-N 435.477 1.134 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 1654737305 GYSARDXXYKMTDN-AUSIDOKSSA-N 437.569 1.586 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1660378462 VSKIWFQJLNVLGP-UHFFFAOYSA-N 433.555 1.859 30 10 IDEE C#CC1(O)CN(C(=O)N[C@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)C1 1669842917 GUFNRTUVZDHNHH-LJQANCHMSA-N 427.526 1.713 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)CC1 1676836557 PUJVKXRIQQTJBA-UHFFFAOYSA-N 447.439 1.195 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)C(C)(C)C 1689840164 TXSNRQOSBDPTSU-JGVYIQDASA-N 426.550 1.926 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)N(C)C)c1 1689870495 PUOLYZQJYISMNV-UHFFFAOYSA-N 434.504 1.213 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689917774 GNBYOVVCPRBKAO-GOSISDBHSA-N 427.486 1.893 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1689980334 PWUDIOOTZVMNCG-KRWDZBQOSA-N 435.594 1.605 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689993583 HMMMLWRECHXXDC-BHIYHBOVSA-N 429.546 1.316 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1690015103 AOJCQFSZFUFBCR-FQEVSTJZSA-N 430.512 1.473 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C 1690255564 STSWUIQNEFUTMW-JOMPHRNESA-N 433.553 1.650 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690351020 FRYVBPPODGIYER-UHFFFAOYSA-N 444.989 1.403 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1690528254 YOSVYTYVPQDFFS-INIZCTEOSA-N 425.942 1.935 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCN(C)C1 1690563674 ZYUQJYMKLADUSN-UTKZUKDTSA-N 448.593 1.148 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCC[C@@H]1NC(=O)NC1=O 1690577250 DWIYQGJXRFMTQE-CABCVRRESA-N 443.533 1.472 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1690615403 CSRQNQMDEUBUSB-INIZCTEOSA-N 448.545 1.790 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690670388 AQTRQHBIFPDFSS-AWEZNQCLSA-N 447.927 1.575 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C)C(C)(C)C1 1698060281 AYAOSUABGJYVTF-UHFFFAOYSA-N 429.573 1.071 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CC1 1705495933 XTHIDRADRAWZAJ-IAGOWNOFSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1705567150 VCHQEMMBVJGWJO-UWJYYQICSA-N 429.546 1.844 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)CC 1705619484 RUWRMISDTJSZGW-QRWLVFNGSA-N 437.541 1.828 30 10 IDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)C(=O)C1 1705688877 ABCQKYQACDIQQD-UHFFFAOYSA-N 435.326 1.468 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705705054 CHBDJUWZHBGCJZ-AZUAARDMSA-N 437.610 1.977 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705835050 YJFFKWZABZTMRE-JKSUJKDBSA-N 432.550 1.564 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C)C1CC1 1705849027 AIDASKMOELCMPP-OAHLLOKOSA-N 426.587 1.154 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705899672 CEZGUQIKSNUVFL-UHFFFAOYSA-N 438.536 1.369 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1705901671 SPHOLKQRXXAJHM-OALUTQOASA-N 438.532 1.672 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(NC(C)=O)CC1 1705907303 HWTVEBKUKUZKQY-UHFFFAOYSA-N 440.548 1.881 30 10 IDEE CCCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1709669151 DMUPTZTVOVZSQQ-LJQANCHMSA-N 426.521 1.975 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1710857338 BKTRYAYSYGACDF-CQSZACIVSA-N 428.522 1.253 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712175522 NBZCRUMNELRVAP-ZWKOTPCHSA-N 429.500 1.750 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(C#N)o1 1712647284 UDCSOWJIBSJZKF-ALKREAHSSA-N 428.493 1.572 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722360266 SGQSMRMGWCYLGI-KRWDZBQOSA-N 449.964 1.751 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722368191 PMWJVFKXRCOSNG-MOPGFXCFSA-N 444.557 1.660 30 10 IDEE C#CCN(c1nnc(CC)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369048 YAKPBFYBIJSYKW-OAHLLOKOSA-N 425.555 1.334 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1722371850 ZCFISIUNWKFUIH-VLOYRQLPSA-N 436.578 1.962 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnnn1C 1722432405 SBAKEEOBAGDJPN-UHFFFAOYSA-N 431.504 1.872 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)CC1 1722432615 YZMHNSPUVLSOPR-INIZCTEOSA-N 435.525 1.357 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1722492878 FBECXEKFEWMJHD-RTBURBONSA-N 430.553 1.554 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1722692588 SEYSZALGRJEQQZ-IWAYBZMOSA-N 446.577 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722725608 OZOBFLMAUNSBRZ-SFHVURJKSA-N 446.577 1.099 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)(C)C)CC1 1722729075 WQSDZVFEBQGDDS-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CCSCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OCC)CCOC1 1722740396 SZTHXKCMMDGMTO-HXUWFJFHSA-N 437.566 1.928 30 10 IDEE CCC[C@H]1CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1CCOC 1727983860 LOAXMUGUDZLLEP-NRTINQSCSA-N 431.541 1.050 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCOCC1 1729066606 HRCVTKACBMDDEF-UHFFFAOYSA-N 440.552 1.130 30 10 IDEE CN(c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1729364035 WSJPMYYIADSTHB-SGRLSNSRSA-N 440.479 1.760 30 10 IDEE CSCCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1731126571 KTKNNTHGSMGEEN-DXQAYGFFSA-N 434.566 1.888 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCCCCO)CC2)nc1 1731183602 STVWTGWAENEBNC-LJQANCHMSA-N 425.537 1.928 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740570438 DTESHMMXKHGMDU-SJORKVTESA-N 440.552 1.861 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1740628090 NDPPHQZKDYOAFA-JKSUJKDBSA-N 435.575 1.764 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N(C)C 1740635419 OCVWKZWOJHMZBH-UHFFFAOYSA-N 435.937 1.571 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)CN2CCCC2)CC1 1740708019 ZIJHXGOIORKTEZ-UHFFFAOYSA-N 430.597 1.902 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740744844 GQHHMCWFDDKMTR-CZUORRHYSA-N 425.375 1.738 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740801113 NQHBOLHRWLPVRQ-CYBMUJFWSA-N 444.883 1.151 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC3(C2)OCCO3)CC1 1740818646 PXYAJVNGOKGAES-HOTGVXAUSA-N 425.555 1.588 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1740925843 OXYSXBCSPULHKD-HRAATJIYSA-N 431.562 1.901 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1740960533 UJXOVIAUHBKYJX-GVDBMIGSSA-N 448.568 1.824 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1740971678 SPAZWYBGDQFBGE-QHCPKHFHSA-N 441.532 1.822 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740978177 PHHSFLBCYWMEBM-ROUUACIJSA-N 440.504 1.723 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](COC(C)C)C1 1740991601 ADSKSYFQGBLYCN-IRXDYDNUSA-N 428.555 1.013 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744066400 WFHANLUQEUDMMF-UDJKBAMHSA-N 443.552 1.959 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1748860050 VHYRSEKNTRUOKA-ZWKOTPCHSA-N 447.536 1.321 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1748983165 KQXKNGRMJXNJEX-IBGZPJMESA-N 427.574 1.697 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1749038653 WAAQSUBPRJVOMA-OAHLLOKOSA-N 429.612 1.460 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1749493833 LIYWASVSJIIVHA-FQEVSTJZSA-N 426.521 1.577 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1)C1CC1 1749519252 HNALGQRQCGMMSS-GOSISDBHSA-N 443.573 1.694 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1749832936 XKCCUYXRTAQNNS-LAUBAEHRSA-N 432.525 1.105 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760191514 ITURBEUCEIOQQG-ROUUACIJSA-N 431.562 1.384 30 10 IDEE C#CCSCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760284688 PWYXLLMUPSWMGZ-IBGZPJMESA-N 443.573 1.792 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1760336576 CIFKJJNYLSTKLQ-MRXNPFEDSA-N 427.571 1.319 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760366653 GCFBTSIAYLKMIF-HZPDHXFCSA-N 447.005 1.189 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760514491 HFJGYGYFISXQSS-HKUYNNGSSA-N 426.521 1.614 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760521570 XJXBASWZTPCOJW-GJZGRUSLSA-N 437.504 1.900 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](C3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760528477 DJGBODSLFJNQSP-AVRDEDQJSA-N 433.553 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760552733 ZCWKTAAWFPCJOY-QGZVFWFLSA-N 434.566 1.033 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1760700563 QICIKAPCGAJGDK-KFWWJZLASA-N 429.529 1.821 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H]1COCCO1 1760734969 SGVISBSTQXPVBP-GOSISDBHSA-N 425.537 1.974 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1766864264 BDBPETUFECAUBH-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CN(C)CC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766940958 UPRGXGLHTLJYEE-OAHLLOKOSA-N 425.537 1.905 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCOC1 1768576750 MAZBJBNWYIDHKJ-ROUUACIJSA-N 445.545 1.779 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1769124892 FRLJCXCOEGMFOJ-ZYSHUDEJSA-N 447.561 1.738 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C[C@H]1S(C)(=O)=O 1772794036 YGTNEMVNUALDJO-BFUOFWGJSA-N 438.458 1.069 30 10 IDEE Cc1cc(C)n(-c2ccc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)nn2)n1 1852793214 CIEBVUPHUGUAJI-UHFFFAOYSA-N 432.488 1.525 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2=O)cc1 1853879123 ZAZOXPWBFRTZOV-UHFFFAOYSA-N 425.466 1.095 30 10 IDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C1=O)CC2 1856533027 GAYQPQHFYLDDNK-IEBWSBKVSA-N 429.542 1.994 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)n1cncn1 1856995233 PZEHHOHSXHVFJM-ZBFHGGJFSA-N 429.502 1.684 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1858320071 PAACHZSSNCIIEQ-OAHLLOKOSA-N 449.510 1.071 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1 1868138667 JZTNQSGNERRAPC-UHFFFAOYSA-N 428.470 1.435 30 10 IDEE C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869930370 YWROLJHIWCJNFT-FCEWJHQRSA-N 427.526 1.972 30 10 IDEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1cccc(N(C)C)c1)N1C(=O)c2ccccc2C1=O 1870142904 MZJPHTAERRCXLI-ZDUSSCGKSA-N 429.440 1.828 30 10 IDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560493 AWXZVQBKRVQAIT-UHFFFAOYSA-N 440.548 1.738 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874277128 KVXLXPWUWPJFTQ-FCQRQVBFSA-N 447.517 1.951 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1908783600 QLIZTTSBXSQHIQ-OLZOCXBDSA-N 425.345 1.935 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124518741 BOWONKIULDLNEZ-SZNDQCEHSA-N 448.329 1.644 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2259118655 PGPPFBKNWZZQTJ-UHFFFAOYSA-N 436.314 1.633 30 10 IDEE CN(CCOCCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267478809 CMYLMOPKWRPPKP-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE Cn1ncc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2267496550 BIMNNDSCIFGYBY-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267504026 MHAFFWYUQKULQS-CABCVRRESA-N 448.373 1.952 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2267599561 RILBYSNCVQXWLQ-CYBMUJFWSA-N 447.345 1.244 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2267606120 SRNWAVHEWROHEG-KBPBESRZSA-N 449.361 1.347 30 10 IDEE C=CC(C)(C)[C@]12C[C@@H](O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 2294829650 HHLNXXASUKFCCX-YSZBQJHXSA-N 435.484 1.659 30 10 IDEE CC(=O)NCc1nnc(SCCCO)n1N=Cc1cc(Br)ccc1O 2330784337 SZDLAFSLWZCJNW-UHFFFAOYSA-N 428.312 1.739 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@H]4CS(=O)(=O)[C@@H]4C3)c(Br)c2)OC1(C)C 2336518876 BECHZKGFSXSGNA-GXFFZTMASA-N 429.145 1.377 30 10 IDEE C=CCNC(=O)N1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(OC)cc2)C1 34692218 GRMVNANVCKBKHS-NRFANRHFSA-N 446.548 1.066 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)cn1 59830058 UCAKWXSRGKVMOD-AWQFTUOYSA-N 427.494 1.560 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(F)cc2I)CC1 106283589 WPPNIKDIRHIPGI-UHFFFAOYSA-N 431.249 1.490 30 10 IDEE COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)ccc1O 254402318 GZRWZXGBOWBHSU-UHFFFAOYSA-N 434.456 1.642 30 10 IDEE CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 443272463 ZUKYDRDEOAAPCJ-UHFFFAOYSA-N 443.934 1.303 30 10 IDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443338032 DGFJKWXRCOUNHF-UHFFFAOYSA-N 435.550 1.388 30 10 IDEE Cc1nn(C)c(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1Br 448211324 CDMHSDGALWDNDW-UHFFFAOYSA-N 438.351 1.869 30 10 IDEE N#C[C@@H](NC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F)C1CC1 469233785 BDSFKHYRPMWXQL-CYBMUJFWSA-N 446.298 1.641 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 471028890 NRTISODOQXGMOB-FGZHOGPDSA-N 448.011 1.995 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2C1=O 486355596 RWJITFAFXRGNAR-LJQANCHMSA-N 438.509 1.261 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)cc1 488383750 XRTTZYCWJWRUQN-KGLIPLIRSA-N 440.522 1.071 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)C1=O 490217309 OJLHAYLXKFYHAA-AEFFLSMTSA-N 434.443 1.582 30 10 IDEE COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)cc1 533101218 DANPNUSIOWXDEL-UHFFFAOYSA-N 442.562 1.932 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 533201962 OYJVWPBDTKOMJP-UHFFFAOYSA-N 446.598 1.029 30 10 IDEE Cc1cn2c(=O)c(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cnc2s1 540114960 IQGZWVAOIVUXJR-UHFFFAOYSA-N 443.510 1.083 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1=O 541192254 GRJICIGZQKURAF-CQSZACIVSA-N 441.435 1.780 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc4c(c3F)CCNC4=O)C2=O)cc1 551695030 CSMKMHQIATWQCG-QGZVFWFLSA-N 435.415 1.827 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCO2)CC1 555398345 DWJTWTJTPFHXGU-LJQANCHMSA-N 442.539 1.611 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1 612978120 BENWRXYBQJGOAG-UHFFFAOYSA-N 440.525 1.913 30 10 IDEE C#CCNC(=O)CN1CCN(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 728570355 AGDQGSXNEHVTSZ-XMMPIXPASA-N 430.552 1.528 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730143555 UPZJKTAHBBFNHF-SJLPKXTDSA-N 447.605 1.827 30 10 IDEE CCc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 732650655 AYUNZLYQDKSPCT-IBGZPJMESA-N 432.546 1.082 30 10 IDEE Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741339555 HGUKGJZZYZKZJC-DQRAZIAOSA-N 426.473 1.993 30 10 IDEE Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741339557 HGUKGJZZYZKZJC-QURGRASLSA-N 426.473 1.993 30 10 IDEE C[C@H](CC(=O)Nc1cccc(N2CCOCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742565648 CRSZYNSPPJQWII-OAHLLOKOSA-N 428.514 1.979 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 743902261 LHVOECLMMFNEJZ-UHFFFAOYSA-N 437.471 1.998 30 10 IDEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 745812665 BVYQLCWPKMHQNV-UAFUQJIBSA-N 426.521 1.023 30 10 IDEE C#CCN(CC#C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 752153899 OWIILSWBYCGQIR-UHFFFAOYSA-N 435.933 1.048 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](O)(C(=O)O)C1 757346010 HWGSOPRTZNNKNR-SQJMNOBHSA-N 448.475 1.965 30 10 IDEE O=C1C[C@@H](C(=O)O)N(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)N1 757542708 LNZQIJKTRFZALZ-IBGZPJMESA-N 433.420 1.245 30 10 IDEE COC(=O)[C@@]1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCSC1 759925754 YPFZZMZEMOTMJC-LJQANCHMSA-N 439.559 1.450 30 10 IDEE CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2ccccc2)c1=O 767889712 DODVSVOKEZSLCT-UHFFFAOYSA-N 444.578 1.607 30 10 IDEE Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 799254717 DNODWFDPTFLUCM-VLGSPTGOSA-N 442.863 1.415 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 807248952 HNXQKULTLWYSMR-KRWDZBQOSA-N 431.539 1.939 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 809892771 DVXQGMLCEJFGTE-JKSUJKDBSA-N 432.525 1.584 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 809925734 BQLPHMLNGFVVRD-PMPSAXMXSA-N 448.524 1.707 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 812493249 BZNIDKFACJFCPR-LJQANCHMSA-N 427.482 1.884 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(C)C)cc1 813561179 FFIXBJAUKQQTAM-MAUKXSAKSA-N 447.605 1.944 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1116556732 RXZUCSBMABQPFD-SCTDSRPQSA-N 437.562 1.700 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3nc(Br)c4ccccn34)CC2)c1C#N 1128029691 BSSAXCVKZHJENF-UHFFFAOYSA-N 428.294 1.973 30 10 IDEE CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1ccc(C#N)nc1 1130663469 IBQRKYCPPYXZCV-INIZCTEOSA-N 426.454 1.553 30 10 IDEE C=CC[S@](=O)(=NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccccc1 1134654965 STPGCVGUUUCCFN-MUUNZHRXSA-N 437.543 1.899 30 10 IDEE Cc1cc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc(C)c1C#N 1148334381 SQLRZLYWSVKFAU-UHFFFAOYSA-N 426.542 1.911 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2)[nH]1 1157544240 FBFXIUORBYTPDU-UHFFFAOYSA-N 425.441 1.359 30 10 IDEE C[S@@](=O)C1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CCN(C(=O)OC(C)(C)C)CC1 1179423215 PWUSHUFINWYJIB-SSEXGKCCSA-N 440.562 1.999 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1cc[nH]n1 1180074588 YDRKNCDMVMFIKI-SZNDQCEHSA-N 449.508 1.599 30 10 IDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1181744739 ACYREPNHQQVHMZ-UHFFFAOYSA-N 435.329 1.736 30 10 IDEE N#Cc1cc(F)c(C(F)(F)F)cc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1184847525 LPDFREHDFWPPDY-UHFFFAOYSA-N 446.382 1.919 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c1 1213638954 KKLRZQSPJUGDGO-GUDVDZBRSA-N 449.573 1.423 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccn(CCN3CCNC3=O)n2)CC1 1220132964 AIFPTFYCXNBPOU-UHFFFAOYSA-N 426.456 1.273 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1286296988 UDGVFJPAKOKLAN-IEBWSBKVSA-N 447.561 1.286 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1286488829 VJSLZWCKJOCBMY-PKTZIBPZSA-N 447.580 1.303 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286603855 APAXEUKIOMSBJD-MRXNPFEDSA-N 447.561 1.608 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286777483 BYIBZJAJSMUSFP-JOCHJYFZSA-N 432.569 1.249 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[C@@H]2C)CC1 1288014184 JFDARHOCDLKEJV-LPHOPBHVSA-N 435.532 1.646 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)n(C)n1 1290570435 FAKHDDAOTHDALJ-UHFFFAOYSA-N 434.504 1.202 30 10 IDEE CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1294613786 RNBAUZUKEJSREX-CEXWTWQISA-N 444.561 1.765 30 10 IDEE CCOCCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297448558 ULANUFAXRVUODR-UHFFFAOYSA-N 427.509 1.768 30 10 IDEE COc1cc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc(NS(C)(=O)=O)c1OC 1300393290 ULKIEKUYLBWLIU-KRWDZBQOSA-N 433.486 1.753 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1300409110 PISJQRAMEMWCEN-HSALFYBXSA-N 427.597 1.637 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC)CC1 1300723639 YFUXSSOOIIKWOH-UHFFFAOYSA-N 449.515 1.596 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300893132 XUHYIRXQHGSHDF-ABSDTBQOSA-N 446.552 1.659 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301036120 AVPJSKCYVPJOEK-MRXNPFEDSA-N 429.912 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccccc1F 1301584462 APEQBYZSLMRYIV-KRWDZBQOSA-N 435.525 1.996 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301606653 VIPJWACJNUVLCY-UHFFFAOYSA-N 432.598 1.244 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1301633738 DWJXXDUCIFGEHV-UHFFFAOYSA-N 427.486 1.118 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1301695678 DJKLCQHLIVBHEV-PMERELPUSA-N 426.546 1.786 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1301952748 NLLQCDYMIHRHBB-HZPDHXFCSA-N 445.593 1.915 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCCCCC2=O)cc1 1302988935 FETNQJYEJRLMLV-IBGZPJMESA-N 435.532 1.921 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCCCCCO)cc1 1302995114 VNPWKSJLDQJQAX-QHCPKHFHSA-N 438.532 1.998 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCCO4)n3CCCCCO)CC2)c1C#N 1304731656 SSMQNGZEGPHUIW-LJQANCHMSA-N 442.568 1.923 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1306418912 YGKSUILIIQQSAY-AXHJYSETSA-N 437.504 1.870 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@H]1OC 1315733214 ARUDUEIBFHHHAD-HAGHYFMRSA-N 427.505 1.718 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1316198554 DCKXPXQRJKYMHZ-RSBAVMITSA-N 444.536 1.907 30 10 IDEE COCCOCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1316255706 ANVURTAWFVNQOZ-QGZVFWFLSA-N 429.477 1.498 30 10 IDEE Cn1c(SCCS(=O)(=O)c2cccc(C#N)c2)nnc1[C@H]1CCS(=O)(=O)C1 1319676443 UNTXKMBALLGXQO-ZDUSSCGKSA-N 426.545 1.155 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)c1 1355669265 OJDKOHGNGLFJFF-USMQXWLVSA-N 430.490 1.365 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1358955672 QVHKYLXHRQGFGC-ZWKOTPCHSA-N 435.594 1.461 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358967785 RZTXUQQDKPIMDZ-VAMGGRTRSA-N 449.621 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1358997923 JWZYWFKXFJCGRF-UHFFFAOYSA-N 435.463 1.612 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1359024499 ONBODTPGSKEIFJ-MRXNPFEDSA-N 436.509 1.462 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2)CC1 1359028884 ICVMYPJKSNKDMX-GOSISDBHSA-N 430.578 1.276 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1359035450 UNHNZAUTVYLNJS-UHFFFAOYSA-N 427.574 1.916 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359130826 WZMJTYFNWRQOAR-UHFFFAOYSA-N 434.566 1.698 30 10 IDEE C=C(C)COCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1359136716 STRQYLDNXGXFKQ-MIZPHKNDSA-N 449.596 1.680 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OCC)CCOC1 1359137498 RRARNAUOHBTJIM-QFIPXVFZSA-N 443.552 1.640 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359173118 VSQHTCCSKPWSEP-HNNXBMFYSA-N 438.492 1.316 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](OCCOC)C1 1359296912 YSYPECXEKBZQGC-MRXNPFEDSA-N 429.477 1.218 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1359433420 IGRQWBGLSZVPQR-MBSDFSHPSA-N 435.532 1.648 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)[C@H](C)COC 1460406857 FZZGAXCGIGLNTG-OAHLLOKOSA-N 447.960 1.835 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1464539244 IAMICRLYTHXGPY-INIZCTEOSA-N 431.493 1.459 30 10 IDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N3CCc4c(sc(N)c4C#N)C3)cn2)C[C@@H](C)O1 1465804154 GQJLNNRECSGEFL-CHWSQXEVSA-N 443.533 1.624 30 10 IDEE COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1466083023 RIGZPFJGYXVKAO-QAPCUYQASA-N 434.924 1.858 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)C1 1505035377 OQXOPNBRZWKALS-HXUWFJFHSA-N 437.504 1.752 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCCC1 1507606288 GWWNHEDVJLWQQW-UHFFFAOYSA-N 430.578 1.751 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1507616867 OSGFGBQNNGJTGH-GOSISDBHSA-N 433.534 1.127 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnnn1CC1CC1 1507618964 FDNYAMJVKOBKCH-INIZCTEOSA-N 441.540 1.864 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1nccc(C(F)F)n1 1507653818 VNDRAQHPYLHOBG-UHFFFAOYSA-N 425.399 1.855 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1507711501 VTFWFIUHHIPSST-LVCYWYKZSA-N 436.578 1.471 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507863409 FEZXYMGUTZBUQG-SWLSCSKDSA-N 438.941 1.827 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCn1cccn1 1508071626 KWKGUTKQOYRYQG-UHFFFAOYSA-N 436.520 1.782 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1C 1508094544 YONVAFYCAZLOSK-LJQANCHMSA-N 437.504 1.771 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1509761949 QMDGDIQOOVIADD-NRFANRHFSA-N 442.545 1.356 30 10 IDEE Cc1nccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1511612766 GSJZTEKIDOLASS-CQSZACIVSA-N 431.298 1.970 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1513407902 FTCZTSRMCAQFHU-MBSDFSHPSA-N 438.532 1.759 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1513978862 IXFWLUNJYYFKLV-AVRDEDQJSA-N 440.504 1.249 30 10 IDEE CNC(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1517595467 QNEPSQOUPYLOSB-GJZGRUSLSA-N 435.529 1.461 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CC=CCC2)cc1 1521102118 OHQJZIOKMZOMRJ-LJQANCHMSA-N 435.532 1.692 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2Cl)CCO1 1521128953 HVXCOASNOMWDCU-CVEARBPZSA-N 435.937 1.805 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539147424 HRRYUYCMHOCPAI-QZTJIDSGSA-N 428.537 1.740 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1539223993 BDIJCRGQIASBRN-INIZCTEOSA-N 435.575 1.509 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1539319556 AVZRGTDLRBIIJT-UHFFFAOYSA-N 443.529 1.119 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N[C@H](C)CC)CC1 1539477575 RDOFQODXDBKCPT-MRXNPFEDSA-N 438.536 1.006 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCSCC(C)C)CC1 1539488066 GASXHDUJIMVQJA-UHFFFAOYSA-N 446.621 1.756 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1540072152 JNDNFQUORBRSDF-HXUWFJFHSA-N 445.589 1.683 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1541085238 XCJNHHWVKFJPCP-HNNXBMFYSA-N 447.565 1.317 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1541910944 GFZPQLJIQGKCHA-MAUKXSAKSA-N 432.550 1.823 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)n1 1543045650 SSCGWHRUCVRZRL-NRFANRHFSA-N 428.516 1.888 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1545929270 VPGDHRUQAHWVIW-FVJLSDCUSA-N 432.525 1.263 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1554127817 LKSVLRRLKJMNQC-SFHVURJKSA-N 426.521 1.973 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554346443 DDZNVPRYWUQMIW-XUTLUUPISA-N 434.504 1.940 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc2c1OCCCO2 1555671279 PTYRSADWLVAKOV-FUHWJXTLSA-N 443.504 1.940 30 10 IDEE CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555935356 VYGICCLATYCZJZ-CYBMUJFWSA-N 448.574 1.468 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 1558652860 QWZUFJZBKALUFL-MSOLQXFVSA-N 447.557 1.927 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CNC3(c4cccc(C#N)c4)CCOCC3)CC2)o1 1560008070 CLZVUFSDQLTNOM-UHFFFAOYSA-N 434.500 1.670 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 1564580288 XYDZIQIGHVMHFB-UHFFFAOYSA-N 446.495 1.778 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1 1570771290 CCLVDPNNABHZQP-LEWJYISDSA-N 427.526 1.821 30 10 IDEE Cn1nccc1[C@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1583215849 AGFTUHLMJPPXIC-GOSISDBHSA-N 445.545 1.619 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1585374775 BHXBCVQXPYPGKO-LBPRGKRZSA-N 442.321 1.778 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(Cc3cccnc3)CC2)s1 1586369280 WNSLBMYSELQSJA-UHFFFAOYSA-N 434.587 1.931 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1587621389 SZXYKYUQNCBNFZ-QMHKHESXSA-N 436.516 1.674 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1587868982 GVFPMXKPELVPEJ-SFHVURJKSA-N 441.561 1.814 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588055751 YXFJMQNCMNTEQT-SFHVURJKSA-N 435.594 1.821 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1588064206 CVSMGAGMSRRWLF-HXUWFJFHSA-N 436.541 1.528 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064265 FCMBSQIBBWBQLI-GOSISDBHSA-N 429.546 1.196 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O 1588433611 QPHQJDVZWBDWMT-VWLOTQADSA-N 449.603 1.581 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CC(OCC)C2)CC1 1588923476 APAQIBZDMYIIEL-KVZIAJEVSA-N 442.564 1.400 30 10 IDEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1593683098 HJQFSLQVTFNAQE-VGSWGCGISA-N 432.569 1.295 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1594625082 DDOCWWIDORSAQK-HOTGVXAUSA-N 430.596 1.550 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595516883 LDGSLPUWRNFDOC-AWEZNQCLSA-N 426.477 1.033 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@@]1(OCC)CCOC1 1595602472 LAMBACAQKWSFKY-JOCHJYFZSA-N 429.496 1.934 30 10 IDEE C=CCSCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1595906032 WFZNYAGVFXZTMY-HXUWFJFHSA-N 438.598 1.701 30 10 IDEE C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598482550 DCLJEWNRCAUFGY-BEYHFKMWSA-N 438.315 1.891 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC=CCO1 1608583981 CCVNJFFMWHLLAV-NRFANRHFSA-N 449.559 1.955 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1610997818 RCAPIXAATOPOMZ-CRAIPNDOSA-N 449.533 1.323 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN1CC=CCC1 1611663570 MGULFKYLCFBHRQ-KRWDZBQOSA-N 443.577 1.658 30 10 IDEE C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(OC(F)(F)F)cc3)[C@@H]12 1616175051 LMUZJRPDJNZAAZ-LEOABGAYSA-N 445.463 1.403 30 10 IDEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1619915081 HBRXVGIYQIGYBP-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCS(=O)(=O)N(C)C)c1 1626103834 CTZBNPJIHXDTLW-JZJYNLBNSA-N 444.579 1.500 30 10 IDEE C=CCN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1627255201 GNJRJRYBQHWWAK-FPOVZHCZSA-N 435.590 1.701 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](CCSC)NC(N)=O)n1 1627669745 CDQJIJFZBPNYOW-JTQLQIEISA-N 427.581 1.529 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 1628324467 GPZOFFIUVFVLFA-UHFFFAOYSA-N 428.470 1.828 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H]2CCCC[C@@H]12 1628720967 CYSVWJXUXJEMOF-RCCFBDPRSA-N 433.530 1.991 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 1635159292 XYOMNIGKZKECDA-NEPJUHHUSA-N 436.939 1.415 30 10 IDEE CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639783094 WAYIZWBJWICAQO-HLTSFMKQSA-N 426.304 1.749 30 10 IDEE C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1639932416 IXFVLPVROJDFEU-KBXCAEBGSA-N 443.529 1.824 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)CC1 1640201926 RHBFSZVUHNHUPP-HXUWFJFHSA-N 448.608 1.991 30 10 IDEE Cc1cc2nc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc(N(C)C)n2n1 1641762631 AWNDOGOKZIQLGK-INIZCTEOSA-N 446.471 1.819 30 10 IDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1642482596 JTPKRMVFHHZIIW-GFCCVEGCSA-N 434.449 1.652 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1651238312 WQBZKMFWYVDATG-AWEZNQCLSA-N 434.440 1.408 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccccc1 1657641201 LMVQWPQXNDRRCU-HKUYNNGSSA-N 447.538 1.648 30 10 IDEE CCOC(=O)c1c(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)c(C#N)cn1CC 1672405277 AFELLJLIIGCKAM-HXUWFJFHSA-N 435.550 1.886 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(F)c(Br)c2)CC1 1672989095 ZJXQJRLVPAHFQK-LBPRGKRZSA-N 447.330 1.444 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)s1 1679274571 SRQIDGZRBARXMO-UHFFFAOYSA-N 433.559 1.738 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCS(=O)(=O)CC4CC4)CC3)n[nH]2)cc1 1680337291 FRIKNICYZUZXJT-UHFFFAOYSA-N 442.545 1.605 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1682987896 PYHVEYABCLYHKY-QGZVFWFLSA-N 430.509 1.421 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OCCOC)C1 1689924371 FHDVKZPIJKXMLS-KRWDZBQOSA-N 446.577 1.893 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1689965825 DSFZKPXINVPBIW-SFHVURJKSA-N 428.562 1.602 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689979887 IVYYKWIACPAEIU-NEWSRXKRSA-N 435.594 1.677 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1690104401 VPOFBMZVSUFZJG-LJQANCHMSA-N 426.521 1.148 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCOCCS(C)(=O)=O)CC1 1690116010 ZFUVCTDPMCUCQD-UHFFFAOYSA-N 445.589 1.324 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)CC=C)CC1 1690126272 YGZWBCXKHZVBAF-UHFFFAOYSA-N 431.537 1.364 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690508189 CWZCUMQRQSSEPL-KBPBESRZSA-N 438.472 1.540 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccco2)N(C)C)C1 1690700774 XOWRWPWCHVRFER-KZNAEPCWSA-N 449.577 1.857 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1690725074 DUIXURHVLCWTEZ-UHFFFAOYSA-N 449.552 1.933 30 10 IDEE CC1(C)COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1692842559 CKXDNDUESXRYFM-JOCHJYFZSA-N 429.569 1.755 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CCCC2)nnc1N1CCS(=O)CC1 1698520017 BBGPOSPYJIWGHS-HNENSFHCSA-N 432.550 1.106 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC(=O)NCC(F)(F)F)c1 1705505459 NQYNVMCWDOGHNH-UHFFFAOYSA-N 434.422 1.890 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705528768 RILOKTUQXJZANF-INIZCTEOSA-N 445.545 1.600 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705566691 PKTGLWZOQSGTCU-MRXNPFEDSA-N 434.591 1.965 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1705570367 MQSDXYIVYVUUTI-DLBZAZTESA-N 442.607 1.071 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705572081 QCJOUCYAUBIVQB-XWBFJWKOSA-N 440.591 1.058 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1)C1CC1 1705853497 BVGTZUBGWYHKGF-SJORKVTESA-N 425.555 1.191 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1705900786 PEGGHDXYOHHLIO-MRXNPFEDSA-N 437.504 1.070 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705905472 WMVVRUCKNSOSDZ-ZDUSSCGKSA-N 432.431 1.090 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705906264 YGOOIYHFVGCOMH-UHFFFAOYSA-N 443.577 1.431 30 10 IDEE CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1706063570 XGBBOWXKSMOJQN-FQEVSTJZSA-N 429.550 1.926 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706934556 BTMLAPKCYBOEAC-KMAZBDISSA-N 439.520 1.829 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(F)cc2)CCO1 1712885105 YWKZODCGTMWGOJ-QAPCUYQASA-N 449.508 1.517 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722290192 DBQXEUSWGQQHCB-RRFJBIMHSA-N 428.459 1.340 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1722415742 GKEPTTKZUPJHAC-HNNXBMFYSA-N 435.575 1.696 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)CC1 1722432617 YZMHNSPUVLSOPR-MRXNPFEDSA-N 435.525 1.357 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722460763 LQHCODCYYVYOGT-HXUWFJFHSA-N 431.587 1.645 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1722509518 PPDQQWJEFKSUPZ-ZJOUEHCJSA-N 446.596 1.759 30 10 IDEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722603911 PXJCRWBACFOZHZ-LJQANCHMSA-N 444.580 1.799 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722688293 AQSLOMSBMZCHLG-IAGOWNOFSA-N 437.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1722694638 CIVVVJOSJPNVCD-UHFFFAOYSA-N 426.521 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722696709 DERRYQFKXFUNBQ-CABCVRRESA-N 444.561 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCc2ccccc21 1722726638 HKOQZYJNYFIVBB-ROUUACIJSA-N 429.546 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OCC)CC1 1722727947 QJMLAMDIKZXZJP-UHFFFAOYSA-N 448.549 1.528 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCN(C)C2)c1 1740562285 HOOBMVXEZGDBTK-XMMPIXPASA-N 445.527 1.463 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616955 JNLDBAFFVCNUIE-MRXNPFEDSA-N 442.607 1.386 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1740627976 UUXZNMIWTHGGSA-CVEARBPZSA-N 428.505 1.844 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740950345 HCRCPKCPPKIXAM-HZPDHXFCSA-N 447.540 1.329 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Cl)C1 1740979243 CFQXSDRUTXAZGO-GJZGRUSLSA-N 431.946 1.145 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1740981214 MLKOVYFKOLIAMB-OALUTQOASA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740989695 VOHQMJKVJQMEGZ-MSOLQXFVSA-N 433.534 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740992626 SAEFECNCXUNIQD-ZWKOTPCHSA-N 434.566 1.729 30 10 IDEE Cc1c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)cnn1C 1742057249 CNNPOTDNCPLHTL-GFCCVEGCSA-N 432.510 1.080 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1748748131 SLVJHOHLAXCXJP-UHFFFAOYSA-N 428.518 1.878 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1748766228 KCPICLCXNMWXFS-UHFFFAOYSA-N 432.488 1.275 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1748814763 IXLDWOCXIHLUAN-WBVHZDCISA-N 449.483 1.182 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1748859495 UFMBJAITAMLOOQ-RXVVDRJESA-N 449.511 1.358 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749024435 QKVQAFVFVDRPMM-INIZCTEOSA-N 427.490 1.434 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1749677042 LPHXHIGYTHBQNV-SFHVURJKSA-N 440.548 1.337 30 10 IDEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1749705612 AASPUWWFABKPHW-LPHOPBHVSA-N 447.561 1.882 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(CS(C)(=O)=O)CC2)C1 1749714834 NOOMRCXCBSTSBL-GOSISDBHSA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1ccccc1N1CCOCC1 1749734039 DLJIVFGRMOXIMS-UHFFFAOYSA-N 433.578 1.914 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C)COC1 1750030005 RKJKWGIZCVHSRG-QGZVFWFLSA-N 441.536 1.632 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1750949785 ZGPGTJOTJDYDFD-OPAMFIHVSA-N 439.495 1.911 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1760279698 IIGQZDXEVKDVID-UHFFFAOYSA-N 437.529 1.662 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1760321646 ISNIMFAWFWXPNG-QYZOEREBSA-N 437.610 1.692 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760523687 FRJGJTJRSSBIFS-RBUKOAKNSA-N 432.569 1.371 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760527724 GTHXBPASRJZYSS-KSFYIVLOSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760555685 KNTULJNVUOUOPF-QZTJIDSGSA-N 439.582 1.473 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760557434 LODIUJLIHKHTMF-QGZVFWFLSA-N 447.561 1.167 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ccc2c(c1)OCO2 1761210988 BSVXFGNLPDZWQT-UHFFFAOYSA-N 426.477 1.964 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1763257418 ZJSJRVOXCLCGCG-YJBOKZPZSA-N 429.550 1.039 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1764765702 NIWUZIAMOOSMAQ-SFHVURJKSA-N 433.534 1.493 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1767117559 HBHMFGIRCFPDEH-VZCXRCSSSA-N 430.472 1.898 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767224409 JXEGVFCYPMBXKC-WFJJUKAGSA-N 444.536 1.704 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccn2)nnc1N1CCSCC1 1770832991 KRMHOHDBKYGLNG-VHEBQXMUSA-N 425.518 1.344 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1771261987 OSNLRUPUTRPWSE-LYHRCORUSA-N 441.532 1.846 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCc1cccc(F)c1)C1CC1 1772566412 YUJRNLZXDVJAIS-SFHVURJKSA-N 426.496 1.882 30 10 IDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CCC(=O)CC2)cc1 1851204511 RKTGMPSUERTYJJ-IBGZPJMESA-N 447.463 1.918 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(=NOCCN1CCN(C)CC1)C(C)C 1853500220 MAUQXCFFAAAULY-UHFFFAOYSA-N 440.566 1.293 30 10 IDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CSc2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1857286804 ZRDMXXIATHZNNG-APWZRJJASA-N 431.558 1.881 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCNC(C)=O)c(C(=O)OCC)c1C 1860760888 GZDSZSYKCCPTQR-UHFFFAOYSA-N 439.490 1.157 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2C 1864317124 UWVLNCNHDCRJFK-GOSISDBHSA-N 425.489 1.240 30 10 IDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 1870143249 DTSLCNVNZXISQA-UHFFFAOYSA-N 439.457 1.721 30 10 IDEE C[C@@H]1CN(C(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1 1872636925 LBDLPIWQLKAZSC-VXGBXAGGSA-N 445.501 1.687 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1984940085 CJFICAXKVOYJQJ-OWCLPIDISA-N 425.526 1.637 30 10 IDEE CC(C)(C#CC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1993920063 WPPHTPDHVRQIDX-OAQYLSRUSA-N 425.526 1.781 30 10 IDEE C[C@@H](NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 1993923959 QGSORAZPDQRAAG-CQSZACIVSA-N 425.526 1.780 30 10 IDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060628665 ZUBYSIDJGRYYRK-AWEZNQCLSA-N 436.318 1.644 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCN)cc1 2164488913 ZDPIGFWAKZGSCO-OAQYLSRUSA-N 429.473 1.763 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243697308 XYJHQDFWDSRYES-QWRGUYRKSA-N 426.348 1.747 30 10 IDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247882427 ONRVSKOLJAUAHU-UHFFFAOYSA-N 442.343 1.720 30 10 IDEE Cc1cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255673125 CSQWHTNYJYZCHD-INIZCTEOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255696559 VRGNWEPIUMEERL-UHFFFAOYSA-N 435.330 1.340 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2256067296 NHCHKIUHQMOBET-STQMWFEESA-N 430.314 1.371 30 10 IDEE C=C(CN(C)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2256674704 LMTVGGCKGJZNHC-YCRPNKLZSA-N 440.346 1.365 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267182538 HKXIGNZANOPDEJ-FMKPAKJESA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267478805 CLWIYHPEXYQSPM-IRXDYDNUSA-N 447.341 1.481 30 10 IDEE COC[C@@H](CCO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834526 WFWODCQVPPSHEO-SNVBAGLBSA-N 425.765 1.376 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2318494616 SDMPZBLHGNJAIE-KCQAQPDRSA-N 432.330 1.837 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2337179211 MYIHHUMDRDRDBE-GJZGRUSLSA-N 446.357 1.801 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)c1 20527354 USKCIOSWJBRAME-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE C#CCN(CC(=O)Nc1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 111046489 BXOYDUJJHFUCQY-AWEZNQCLSA-N 432.283 1.352 30 10 IDEE C=CCNC(=O)COc1c(Br)cc(S(N)(=O)=O)cc1Br 215909281 IRENBFVVQZMUEQ-UHFFFAOYSA-N 428.102 1.540 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCOC)[C@@H]3CCOC3)nnc12 428553898 YTQUYJPUDGSIBG-OAHLLOKOSA-N 443.529 1.586 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ncn(Cc2cccc(F)c2)n1 444114638 XGKZMHVSOVNOAN-OAHLLOKOSA-N 435.467 1.547 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@@H]1CCCO1 447266987 MXHDWMHRZVOIEP-ZDUSSCGKSA-N 437.974 1.833 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 462729601 ALNGPNMHODKIDJ-UHFFFAOYSA-N 440.529 1.525 30 10 IDEE CC(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](C)C1 477650949 LFESYRLACBJZFE-OAHLLOKOSA-N 426.477 1.007 30 10 IDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ncc(Br)cn1 486386160 GUYAOKCCBHVQCO-WDEREUQCSA-N 438.307 1.655 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@H]3c3noc(-c4cnn(C)c4)n3)cc2C1=O 506813318 FAAPNVHPIHCXTQ-KRWDZBQOSA-N 448.439 1.466 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 508866939 NECJTSQZLJASHJ-UYAOXDASSA-N 441.532 1.977 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 509001126 LXMXVDNHDHKZMB-FHWLQOOXSA-N 432.569 1.179 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 509010848 IGFATRKQYVFOIJ-KBPBESRZSA-N 426.568 1.493 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)COCC(=O)NCc2cccnc2)cc1 521298653 CJGMAVQVJLQBEG-GOSISDBHSA-N 439.497 1.126 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CCC(=O)Nc2ccccc2C#N)CC1 533276157 OJVZGNLDDVNJJF-UHFFFAOYSA-N 427.530 1.617 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 540697249 GMGHWVTUAJKZAO-UHFFFAOYSA-N 428.558 1.697 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 554069920 GXTUAMNQTVYESE-MRXNPFEDSA-N 432.502 1.731 30 10 IDEE CCN1CCC(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 558115089 RXASVQSHEQEMKE-FQEVSTJZSA-N 425.533 1.014 30 10 IDEE CCN1CC[C@H]2OCCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)[C@H]2C1 590190625 QDRNFHVXELDRKD-BHIFYINESA-N 429.540 1.330 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCCO1 603798922 POLIAFIQQZUFNV-MRXNPFEDSA-N 429.929 1.547 30 10 IDEE Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C(N)=O 608995595 GOLGAKWNVFNINB-UHFFFAOYSA-N 427.486 1.504 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)nc3)CC2)cc1 609640569 DWTPWMRGEFOPKK-UHFFFAOYSA-N 428.470 1.277 30 10 IDEE COc1ccc(COC(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)[C@H](C)O)cc1C#N 746952894 FSIXLXYMLIXZKW-MGPUTAFESA-N 432.498 1.955 30 10 IDEE C#CCNS(=O)(=O)c1ccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 761727859 IULOYXHPUZMWKB-UHFFFAOYSA-N 425.470 1.547 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 765299854 GVQILIBWVZDACY-OAQYLSRUSA-N 434.943 1.900 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)cn1C 765442948 DCCHJYKJGUNAKR-UHFFFAOYSA-N 440.533 1.131 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NCc2ccccc2)C1=O 771581973 ICRHOHUYEXEUCO-BXKMTCNYSA-N 448.479 1.796 30 10 IDEE C#CCN(C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 774196316 IZLQTFOJMCEFBI-WMZOPIPTSA-N 436.553 1.470 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1C#N 774810864 REMRAGPEIRWJDM-QGZVFWFLSA-N 428.514 1.434 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCCn2ccnn2)C1=O 784125156 MXSCGZHKXTZLLR-HNNXBMFYSA-N 431.909 1.961 30 10 IDEE CN(C)C[C@]1(O)CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 788204124 DXZDKLRBZIMYBB-OAQYLSRUSA-N 436.578 1.201 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(N(C)C)cc2)c1 788493664 VCEHHSXYJCETKY-UHFFFAOYSA-N 427.526 1.788 30 10 IDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)c2ccnc(C#N)c2)CC1 795965661 AOKQGHFABAECDF-UHFFFAOYSA-N 435.484 1.510 30 10 IDEE C[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)n1cnc(C#N)n1 798353220 COBOKHDPKQBCQE-LBMJDHPKSA-N 440.441 1.292 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 803701350 QHIDTPASVBTVSP-SFQUDFHCSA-N 428.510 1.337 30 10 IDEE CC#CCS(=O)(=O)NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 810774281 GLAPYCDKOMAGJD-HNNXBMFYSA-N 444.962 1.868 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084010346 BKSZPSCASKDFEU-UHFFFAOYSA-N 444.433 1.488 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C#N)CO)cc2)cc1C 1140739087 BDUXZKSFZOIMTR-DLBZAZTESA-N 431.514 1.897 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)cc1 1152007174 IWTNMZCADUPKTC-OAQYLSRUSA-N 441.553 1.537 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)c1cc[nH]n1 1155206205 ZQLRKGYGGWXSHF-HNNXBMFYSA-N 429.477 1.372 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1157884666 JTQXWWOILLFIRE-AQOAWAETSA-N 445.541 1.918 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C[C@H](O)COc2ccc(CC#N)cc2)C1 1175070353 RITTUCJVKDPMMJ-SFHVURJKSA-N 444.532 1.304 30 10 IDEE CCOC(=O)N1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)[C@H](CO)C1 1180244554 OPSYCIBPRAJFAW-SMDDNHRTSA-N 426.267 1.265 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1194692357 WQDQKKXHKBIKRG-KRWDZBQOSA-N 425.576 1.237 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286338913 RJAJIXSDMWOPLI-SFHVURJKSA-N 425.537 1.886 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1286388021 KHXBCRLRXMTQHB-MRXNPFEDSA-N 445.501 1.656 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286388794 BUDOIFLKTOYGDE-HUUCEWRRSA-N 436.488 1.797 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCS(C)(=O)=O 1286422955 DDNZWKCPAAAYDI-UHFFFAOYSA-N 428.514 1.614 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1286522027 HTSHXQQLCZGCLL-HXUWFJFHSA-N 429.550 1.319 30 10 IDEE C=C(C)COCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286613813 FYKWOKWQKJNBNT-JOCHJYFZSA-N 435.569 1.874 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1286773891 VESOXGUESVQGSE-ZWKOTPCHSA-N 439.626 1.939 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnnn2C)C1 1286803465 ICQOVJBAOJROEC-AWEZNQCLSA-N 433.314 1.994 30 10 IDEE CN(C)[C@@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 1288677706 ZFHBBLYETBLEOZ-KRWDZBQOSA-N 446.495 1.958 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1291664498 DDDWNJSXYWIWRI-YJBOKZPZSA-N 432.550 1.790 30 10 IDEE CCCN1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1294675793 QDNJWNIIDMVWPX-HNNXBMFYSA-N 449.581 1.712 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1295606406 ABPKPBFYWTXXQU-LAUBAEHRSA-N 440.562 1.489 30 10 IDEE C[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)c2ccc(Br)cc2C1=O 1297054935 WXSNIBYSBIZZGA-SNVBAGLBSA-N 446.257 1.869 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1300411540 SUSSMNTYZHDIML-LPHOPBHVSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300489401 NHVUZZZXQRLSJY-NQIIRXRSSA-N 427.530 1.604 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)F 1300569403 JPCAYOBHUFJFBM-UHFFFAOYSA-N 431.443 1.807 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1300708585 VOMICTQPKSRBQH-LJQANCHMSA-N 442.470 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300712155 NNCMEFAXKCFXFF-FQEVSTJZSA-N 444.624 1.898 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)C1 1300872736 GXCPLNPHGUFVPO-QAPCUYQASA-N 425.493 1.185 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(N)=O)CCOCC2)C1 1301565949 HPWSMSQLHPBYEV-GOSISDBHSA-N 443.552 1.203 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCOC(C)(C)[C@H]1C 1301567631 KNWKOUKJJOOWEX-OAHLLOKOSA-N 425.555 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CO)CC1 1301586040 HJTDGPSTKHPDCF-UHFFFAOYSA-N 444.561 1.326 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301588760 IYPJDIJTNDIKBG-KURKYZTESA-N 440.566 1.157 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1302175944 ZJFCGKILZAHOLS-UZUQRXQVSA-N 441.532 1.988 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1305301993 WBCSOIUVJVZMKO-VGSWGCGISA-N 442.568 1.573 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(-n2cncn2)nc1 1305721403 DAGFYCWNAAJJQR-HNNXBMFYSA-N 436.524 1.816 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C2=O)cc1 1312484937 FCXGVQMJXUGZEW-AWEZNQCLSA-N 432.424 1.330 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1316069056 AYQBORDQLWNSCU-MOPGFXCFSA-N 439.520 1.330 30 10 IDEE CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1316351768 UHKSRQBSNAQCHL-MOPGFXCFSA-N 429.546 1.960 30 10 IDEE C[S@](=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316365273 FIPXLUIUEBNPQN-JWRCQZCYSA-N 436.538 1.623 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC2(n3cnnn3)CCOCC2)cc1 1355746330 SHTRPEJBPUWCDX-OQKWZONESA-N 447.521 1.020 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1358872182 PZWNFNDHTYFDKC-CABCVRRESA-N 446.533 1.351 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1358918640 BNLLANSJGPCQNU-OALUTQOASA-N 437.548 1.886 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358961252 VGADWDGJQYSFGK-MSOLQXFVSA-N 430.578 1.395 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358963122 CDXDPXSGEPWKNJ-PMACEKPBSA-N 428.558 1.960 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1358979672 UBYLKLKFDCDZMQ-FQEVSTJZSA-N 441.557 1.317 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1358984953 LGNPGJSEVBDBAS-DNVCBOLYSA-N 435.575 1.320 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359037666 RWRIZQQBSGFSAP-HXUWFJFHSA-N 428.581 1.261 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(F)cn2)CC1 1359040670 DCJAFMKBZCMUAO-MRXNPFEDSA-N 444.511 1.550 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359044256 AOEQELWYNCOKQV-UXHICEINSA-N 429.565 1.953 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1359051344 TYWXQHWFMFPLNZ-UHFFFAOYSA-N 429.546 1.615 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359053938 FDLFUDQUZOYRSN-QGZVFWFLSA-N 439.589 1.496 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359296229 BFIVPZOCIUWRLM-UHFFFAOYSA-N 447.543 1.958 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359302211 ZHUGJHDRPPMUIE-LSDHHAIUSA-N 437.541 1.568 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCOC2(CCOCC2)C1 1359328649 KMRSDDITJHTAPW-UHFFFAOYSA-N 436.534 1.833 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359529333 PYVJGGDCQJCPAZ-FMQUCBEESA-N 443.552 1.485 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1436929300 OYAFSHNBNNOUIG-KXBFYZLASA-N 434.562 1.946 30 10 IDEE C#CC[C@@]1(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 1437083526 NSQFYOGODLPWAM-UXHICEINSA-N 426.535 1.196 30 10 IDEE CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1438347805 WUVFRGSYOQTXKL-GOSISDBHSA-N 427.505 1.285 30 10 IDEE C=CCN(CC1CCCCC1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1443932491 HEKGCKJBPREOHL-UHFFFAOYSA-N 428.576 1.963 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1464252273 AQYHVZFDBATXMU-QGZVFWFLSA-N 444.575 1.956 30 10 IDEE CC(C)(C)OC(=O)NCC1(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1469808119 LITTVANHVMKYGO-UHFFFAOYSA-N 436.534 1.648 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1469813945 HSPQBAFLRKGCNH-QGZVFWFLSA-N 428.510 1.951 30 10 IDEE C[C@H](CC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1472207298 DXZBINDSHJNYQI-CHWSQXEVSA-N 438.506 1.171 30 10 IDEE N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1472894737 ITDDPPNRGVIUMJ-NBHSVURWSA-N 438.431 1.569 30 10 IDEE C#C[C@@H](NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1478896395 NHYUNAYMZVXAOZ-WBVHZDCISA-N 427.320 1.723 30 10 IDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)c1 1492624049 PIVZFWLTDUBXEZ-UHFFFAOYSA-N 427.534 1.893 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1504263290 GALYSHUKZOCAIN-LIRRHRJNSA-N 433.538 1.470 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1507536708 DMNUGGPBFLAGRY-QFBILLFUSA-N 447.561 1.264 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1507621718 BUXPJWQNDZIIBH-QZTJIDSGSA-N 435.594 1.821 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507638423 FKFWKJJQBIEMHQ-FQEVSTJZSA-N 442.585 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1507659807 FYAGKNDZIUZTSB-NTLWEQJWSA-N 433.578 1.292 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1 1507661974 CCRLKRAPWIWMBA-UHFFFAOYSA-N 436.472 1.598 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1507690646 UQJQRTUCBGHMCZ-XDBZFTIUSA-N 434.587 1.567 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](F)C2)CC1 1507733781 MGKOLGZHHKPLBK-AEFFLSMTSA-N 430.528 1.618 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507750916 HLJHJWYWNFLGHA-HZPDHXFCSA-N 444.565 1.070 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1507759516 ITSZRHPZWMLHJS-OEMYIYORSA-N 436.578 1.753 30 10 IDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)CC1 1507884938 OCQCPZXYMSHICF-MRXNPFEDSA-N 434.541 1.879 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507946563 RZEILHVZPSHEGI-AWEZNQCLSA-N 436.538 1.490 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1507992653 CRLCKOHXKPBQMZ-QGZVFWFLSA-N 430.534 1.274 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1508116038 DXTLSUXXEIINDT-WOJBJXKFSA-N 429.569 1.817 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1509821019 YEUNCBLQIQMWOZ-GCJKJVERSA-N 446.552 1.450 30 10 IDEE Cc1cc2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)ccc2[nH]1 1510691620 HGVWMSPUXABPHZ-PBHICJAKSA-N 443.533 1.455 30 10 IDEE CC[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1514112185 RHFHJLXRHQRILT-MVZUJROASA-N 427.509 1.163 30 10 IDEE C#C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccc(Br)cc1 1528498446 WAOCZFRXPNMIBG-CQSZACIVSA-N 427.258 1.499 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1539421682 VPTNTTGZMSALBT-UHFFFAOYSA-N 442.545 1.180 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)CC1 1539445900 JWZUGTFRXOVTHB-HNNXBMFYSA-N 433.438 1.447 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539504917 CRDSDXCWOSUBHV-UHFFFAOYSA-N 436.545 1.832 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1539556353 BPZJLRAMLYINTJ-IIDMSEBBSA-N 427.596 1.355 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1539757968 FRCYTEJRJQUCGP-IBGZPJMESA-N 432.569 1.152 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539946883 FHLKFDRVTRHECS-UHFFFAOYSA-N 447.565 1.800 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539960969 LHNFUQRPSKTVMY-UHFFFAOYSA-N 428.541 1.208 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1540037128 BSUQEGODYNMRQP-ROUUACIJSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540864714 IZPQSRQIRMZAJI-HUUCEWRRSA-N 435.550 1.514 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540875190 DFHLITXQVHBHFS-HNNXBMFYSA-N 430.484 1.355 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)CCOC1 1541732662 FTUHYZNWWBCLSM-QWMYNDFQSA-N 437.566 1.349 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 1542978434 PGUNXMLRGVATBE-YUMLTWSLSA-N 430.436 1.378 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CC[C@H]3COCCO3)CC2)c1C#N 1543001411 PDRGJQNCFXFRBR-KRWDZBQOSA-N 428.541 1.447 30 10 IDEE C#CCn1cc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 1556465820 XSXMYOGLHRYHFA-GOSISDBHSA-N 431.474 1.284 30 10 IDEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCOCC1 1558417653 HQDPSUGGNJKQCJ-IKGGRYGDSA-N 440.562 1.345 30 10 IDEE CN(C)C(=O)[C@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1560175843 GCIRQQTZLNZICE-INIZCTEOSA-N 440.504 1.255 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)c1 1568450437 VMPZQSXNQHCSQQ-HMILPKGGSA-N 433.555 1.646 30 10 IDEE C[C@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1584320868 KYAOBJIVZLEADK-CQSZACIVSA-N 439.476 1.545 30 10 IDEE N#Cc1cn(CCNC(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)c(=O)nc1O 1585295118 ANRJULQYFOKNBQ-UHFFFAOYSA-N 442.838 1.717 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCS(=O)(=O)NC)c1 1587684288 VKIODYIWQLENAI-OAHLLOKOSA-N 432.550 1.397 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CC1 1588639103 ZTZBGDHIEHYOQJ-HKBQPEDESA-N 440.529 1.591 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC2(C)C)n1 1588724289 WWPSVBNUEXNZEC-AEFFLSMTSA-N 425.537 1.758 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(O)cc2)CC1 1588976323 UKONUZCBDZYOQK-UHFFFAOYSA-N 428.562 1.815 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1589088772 IIBCMHPCILAHFG-IBGZPJMESA-N 426.590 1.789 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1nc(O)c2sccc2n1 1595522476 DRESDKNZUUMQTG-UHFFFAOYSA-N 438.517 1.933 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1595544170 FSRNHXAIAMPKTG-JKSUJKDBSA-N 445.524 1.559 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C)[C@@H]1C 1595577036 HAPXXBVQXVQGBC-UONOGXRCSA-N 434.591 1.902 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1610043679 HDSCMNBGTFCDIW-IBGZPJMESA-N 437.548 1.500 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)CCOC1 1610894598 KHFQMGLRGATNCR-DENIHFKCSA-N 432.569 1.658 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCC(F)F 1616923231 XQHUMVDMCYVVEJ-AWEZNQCLSA-N 436.467 1.473 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1619927282 DEXKNAJYPFRBIC-GDBMZVCRSA-N 445.911 1.217 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1627601379 LAGHYURALSNFGH-AOMKIAJQSA-N 428.489 1.664 30 10 IDEE C#CCN1CCC(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 1635160569 QGHCIONEIKCETI-UHFFFAOYSA-N 428.352 1.527 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)NCC(=O)Nc1ccc(I)cc1 1635201559 NSWOELAKHRMQCR-ZDUSSCGKSA-N 429.258 1.957 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1cnn(-c2ccccc2)c1I 1636546542 VCULLLBQSGGESS-LBPRGKRZSA-N 426.214 1.587 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 1637346108 CZAZBUGTRCVYBA-AWEZNQCLSA-N 432.527 1.041 30 10 IDEE C[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1640637435 ZEAMJIHEQHRNDD-LSDHHAIUSA-N 445.520 1.877 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC(C(=O)OCC)(C(=O)c3ccccc3)CC2)CC1 1643154960 QRYWLQUGEKZTMB-UHFFFAOYSA-N 425.529 1.292 30 10 IDEE Cn1cc([C@H]2CSCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1645652388 JCSXPTJTOOLIPI-QGZVFWFLSA-N 447.586 1.946 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 1647977569 HEPOKKXWAVARGL-LJQANCHMSA-N 432.488 1.310 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n(Cc2ccccc2)c1C 1647993126 HKVZYBJLWUWCDX-ZEQRLZLVSA-N 433.512 1.948 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CCO2)cc1 1652920303 YLFRNAZQKUUHTG-RBUKOAKNSA-N 440.887 1.786 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 1654645888 JPRMKEPERKUHIL-UNMCSNQZSA-N 448.608 1.548 30 10 IDEE C#CCN(Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1663860241 NDTRRNOURKVULM-DLBZAZTESA-N 437.566 1.472 30 10 IDEE C#CC1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 1667039117 AZXYCCKTJWNHPU-INIZCTEOSA-N 425.532 1.029 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)C2)nc1 1675541787 NODWOKHKMFKNGC-RTWAWAEBSA-N 441.580 1.336 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)C1 1676568523 JXOKMVQDKVWTMK-HNNXBMFYSA-N 448.520 1.254 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1690184789 OPSAOSBEALJFTC-CVEARBPZSA-N 431.566 1.685 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1690671077 OPDAIKMAGQSDHV-INIZCTEOSA-N 447.609 1.825 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@H](C)C1 1690723488 TVJAJBRZKRFJMY-NVXWUHKLSA-N 445.545 1.618 30 10 IDEE C=CCSCCn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690750195 CMYGHXLACZHOLR-IEBWSBKVSA-N 436.626 1.723 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCOCCS(C)(=O)=O 1696678540 SWJQOPJVSNWFAD-GOSISDBHSA-N 433.534 1.699 30 10 IDEE CN1C[C@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1696874070 CJNULWCJVZSLOC-MOPGFXCFSA-N 431.497 1.190 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705567780 ZLZCKJKUHODMNQ-FUHWJXTLSA-N 449.602 1.806 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705571306 XWHIQTUWTSYARE-UYAOXDASSA-N 429.590 1.754 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705571459 ZORRCLJVSUGDHW-OXQOHEQNSA-N 447.586 1.035 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1705599109 VHAQSXNTJUKAMA-XLIONFOSSA-N 426.542 1.745 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(O)cc2)n1 1705631461 GESBTMRBJRATHK-FQEVSTJZSA-N 449.515 1.466 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccnc(SC)c2)CC1 1705634798 JKRJUFCYZZUVKB-KRWDZBQOSA-N 430.578 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCCCC2)CC1 1705645366 RMJDMNPEERBISV-GOSISDBHSA-N 447.580 1.663 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccnn2)CC1 1705686900 OGFOPSYRGVMMEK-UHFFFAOYSA-N 430.314 1.704 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705722356 HTLHMSNVJPMGLK-NRFANRHFSA-N 444.561 1.630 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1705843276 BEWVJMXMSWSSQV-IAGOWNOFSA-N 428.603 1.210 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCCO1 1705902833 KLQKSSAQXZXEDU-GOSISDBHSA-N 440.552 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](SCC)C1 1705934767 WOOCRTXVBQZREO-HZPDHXFCSA-N 441.623 1.942 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)C1 1706932905 SSGIXJGUPGFRAP-NRFANRHFSA-N 425.493 1.554 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1708718816 BQYKWCRWTCWJGM-QGZVFWFLSA-N 431.585 1.905 30 10 IDEE CCOCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1710709100 ZBQXNUQEDDEGPG-HNNXBMFYSA-N 436.538 1.435 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F 1712648643 YYUVPUURCPTXTM-ZOBUZTSGSA-N 432.456 1.344 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1)C1CC1 1712698311 HOEOATPNWPLOIE-IBGZPJMESA-N 445.545 1.636 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1722343333 AYXMZSBHYFMIPC-OAHLLOKOSA-N 432.550 1.722 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1722383746 QZMIDJHVKAOUAY-INIZCTEOSA-N 443.598 1.831 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@H]1OC 1722411381 FHMMNGODKCFAGC-WOJBJXKFSA-N 439.564 1.963 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1722432647 BTXUPAPNPCEKRT-VIZSFHNOSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722439858 RVXQSCDSVHNWCP-UHFFFAOYSA-N 430.578 1.232 30 10 IDEE C=CCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1722690638 KSCWYAWJUUOHKL-NRFANRHFSA-N 445.524 1.173 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C)CC1 1722694741 GJZSUDWPLQJENV-UHFFFAOYSA-N 448.531 1.681 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1723082931 QESAOBHEDYKOJE-RBUKOAKNSA-N 426.521 1.565 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1728211314 QUIKIQSXNRJMMR-DOTOQJQBSA-N 439.524 1.033 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1729311266 BVATUKYJLXORLW-UHFFFAOYSA-N 434.504 1.719 30 10 IDEE CN(C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729340283 BXDYRVNXYMRQMJ-MRXNPFEDSA-N 441.536 1.285 30 10 IDEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1730926519 HTUNUZUZIVNJFE-PMACEKPBSA-N 427.505 1.895 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1740610537 DYNQZJMIPCYHMX-KRWDZBQOSA-N 448.568 1.818 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1740619828 LQBQAPSWNCDZAT-QGZVFWFLSA-N 439.545 1.549 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1740628674 SIQWITYUCJEGIR-OAHLLOKOSA-N 435.550 1.775 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740686718 YEKSUICQMPRESB-UHFFFAOYSA-N 431.562 1.930 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(N(C)C)CCSC2)CC1 1740707461 CUZQIDFAYORKBB-NRFANRHFSA-N 434.610 1.218 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740989293 HZRCNACLBHSCEO-GOSISDBHSA-N 444.561 1.586 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1740992826 OGRJZGMATYDHPT-UHFFFAOYSA-N 434.522 1.676 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](N1CCOCC1)C(F)(F)F 1741123387 ARFGMEWFOYAIKW-KGLIPLIRSA-N 431.463 1.275 30 10 IDEE CCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1744953013 RUEJCDURPUDNEX-SFHVURJKSA-N 448.549 1.750 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1748892672 UTXWNACKTZEJGN-QGZVFWFLSA-N 447.586 1.593 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)CC1 1748988828 CGZNLVKODPJQFN-GOSISDBHSA-N 448.568 1.378 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCSCC#C)CC1 1749016381 CONACKWTJGHABR-UHFFFAOYSA-N 442.614 1.966 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749655309 HFPBUESPHFSVAD-QHCPKHFHSA-N 448.531 1.600 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749669185 CWGLBAPDSWGYQA-MSOLQXFVSA-N 440.552 1.370 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749676576 VOBQHPNYOCELBZ-UHFFFAOYSA-N 439.564 1.649 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1749704691 AAGSMMDAXHYORO-AEFFLSMTSA-N 449.506 1.872 30 10 IDEE CC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1751291715 DUJIWOGROCMMSE-OAQYLSRUSA-N 429.546 1.993 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760137879 YSWATUNEWFUDPO-WBVHZDCISA-N 426.525 1.607 30 10 IDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1760173527 AHNDKTIGQCWCNK-VXPUYCOJSA-N 426.427 1.743 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760192617 KWYLJHKYCDFWEE-CEXWTWQISA-N 437.610 1.733 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1760212516 WPJKOZANLXHZTP-DEOSSOPVSA-N 442.608 1.419 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1760247619 IMJBSXJSSOPMPH-KRWDZBQOSA-N 437.548 1.711 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1760259252 JAJTZQFYRBQZME-WRGVRERRSA-N 427.574 1.464 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760428610 ZQADQBFSIIMKCJ-SJLPKXTDSA-N 434.566 1.848 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS(=O)CC1 1760516877 XDUXYCKOVRDOFC-INIZCTEOSA-N 447.561 1.688 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760527383 VBGPDKGSXKXAJK-AVRDEDQJSA-N 443.552 1.216 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1761356165 ANVSRSFRGAGJOV-KRWDZBQOSA-N 439.568 1.690 30 10 IDEE CC[C@@H](C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763828234 RPEZWRWBWIRVOO-MUTNOEOXSA-N 441.536 1.280 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1ccc(C#N)o1 1764073483 AOBYTMMIIZQZDA-CYBMUJFWSA-N 436.538 1.579 30 10 IDEE CCCCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764202595 HEULXCBJGPQPKD-SFHVURJKSA-N 439.520 1.971 30 10 IDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1766509898 AVCMNZMBELPBRR-HXUWFJFHSA-N 431.518 1.267 30 10 IDEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)cn1 1766939528 RQCWRAIALMQZKU-UHFFFAOYSA-N 442.549 1.609 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1767229927 YXJKZKZZNCRANB-JOCHJYFZSA-N 439.520 1.474 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(Nc2ccn(C)n2)nnc1-c1cccc(C#N)c1 1768270914 BYMXFWRSHGRWNY-UHFFFAOYSA-N 428.522 1.965 30 10 IDEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1768910885 DHKVOEOCFHSYIM-HNNXBMFYSA-N 433.513 1.110 30 10 IDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769737758 IUQFTRNAXHZGTA-ZZEZOPTASA-N 433.472 1.568 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(COC)CC1 1772887286 IVMYWYAQGOHLRE-UHFFFAOYSA-N 444.561 1.929 30 10 IDEE C=CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1I 1850690279 LYUVYAWZSMSGOB-IAQYHMDHSA-N 442.253 1.656 30 10 IDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N(C)c1nccc(-c2ccc(Cl)cc2)c1C#N 1851658278 QJUYRUKGUBLVPM-KRWDZBQOSA-N 432.889 1.839 30 10 IDEE CC(=O)[C@H](C(=O)N(C)C)N1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1(C)C 1854440208 PTPDUPUSHPCNKH-QGZVFWFLSA-N 432.908 1.515 30 10 IDEE C[C@H]1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CCS1(=O)=O 1856066201 YQBHNNPCJUNEDR-GOEBONIOSA-N 437.949 1.904 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1 1856264191 QTMDQZXCEZTSHI-ZDUSSCGKSA-N 432.889 1.810 30 10 IDEE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)Nc3ccccc3C#N)cc2C1=O 1866618296 HGPOSXRGYJRJOG-HXUWFJFHSA-N 448.479 1.930 30 10 IDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(OCC)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870002804 VROBVLMBAKMATG-KRWDZBQOSA-N 445.545 1.889 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1889300392 FCMFBCBNGNRSSB-HXUWFJFHSA-N 430.593 1.036 30 10 IDEE CC#CCN(CC(=O)N(CCO)CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1900621638 QDFUFVAFEBKQKW-UHFFFAOYSA-N 427.542 1.983 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 1963883292 ZEBAWPBTCCOWBB-ZDUSSCGKSA-N 446.289 1.911 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CC1 1982314456 PVOLUGAMSGWKMV-UHFFFAOYSA-N 446.570 1.971 30 10 IDEE NCC#Cc1cc(=NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc[nH]1 2145992343 WZKIPQGOTRWAAO-UHFFFAOYSA-N 426.498 1.022 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2218629882 DGNLECZMZYSTBD-HLLBOEOZSA-N 438.330 1.010 30 10 IDEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2255653658 LYUBTBQPCZVKQP-ZDUSSCGKSA-N 434.346 1.705 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255658333 BRYMLZRVYIXNIY-AGGWBTHJSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255673032 NPXHLXQYMSBQRW-NHAGDIPZSA-N 430.314 1.371 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825678 DEIPNAOZGHRHJS-YEJXKQKISA-N 432.330 1.459 30 10 IDEE Cn1ncc(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255828476 DSORRSBWGVFAQE-UHFFFAOYSA-N 438.309 1.408 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256616802 DVENYDFGJSHKAB-PBHICJAKSA-N 434.342 1.876 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2256927177 FBRGFYNUPPMKCA-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2259181803 ZRKHVTMIUWZTTK-KRWDZBQOSA-N 433.358 1.821 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c(Br)nnn2CC)C1 2266485135 LTICGQTYOQIIBX-UHFFFAOYSA-N 426.315 1.983 30 10 IDEE Cn1cc(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267133818 HLLQKEHWJPZPKK-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267526496 SUQAOPMVNWBRMU-HUUCEWRRSA-N 446.357 1.658 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)nc2)OC1(C)C 2267547995 OXLYRYNMNFXLNL-LJQANCHMSA-N 433.321 1.626 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2267550211 WNCVTKLDOXGLLK-HUUCEWRRSA-N 444.341 1.715 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269073110 GJUQZSPOCYGZSN-WMLDXEAASA-N 443.309 1.508 30 10 IDEE Cc1oc(C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)nc1C(=O)N1CCOCC1 96397175 HDBSCLUBOLXKLZ-UHFFFAOYSA-N 444.513 1.895 30 10 IDEE CCN[C@](C)(C#N)Cn1cnc(I)c1I 393750238 WFTBIWQEUQCTCQ-SECBINFHSA-N 430.031 1.984 30 10 IDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H](Oc4ccncc4)C3)n2)c(Cl)c1 435251224 FHUIYQRRUWFCOE-MRXNPFEDSA-N 436.859 2.411 30 10 IDEE CC(C)CN(C(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 440615384 HPWUPFJINYZVCN-RTWAWAEBSA-N 432.590 1.541 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C)c1=O 447268239 SWJVWSMIXNUCTD-UHFFFAOYSA-N 429.299 1.329 30 10 IDEE N#C[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccc(Br)cc1 463307148 HKYYMNDYKQHHDU-JYXJIEJFSA-N 432.274 1.682 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccnc(O)c4C3)CC2)cc1 494913372 ZVPGEROVHOZUSX-UHFFFAOYSA-N 426.498 1.644 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 509010710 KILGCWXMEAZIEA-NEWSRXKRSA-N 447.561 1.763 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccccc1C#N 515658997 YMGOEBVSUFSWGJ-UHFFFAOYSA-N 432.530 1.946 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 542015626 OPUQASIKSSIIFZ-OHDICMOHSA-N 439.859 1.888 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 549681891 RXCXABUQBJOUDB-SJORKVTESA-N 437.570 1.183 30 10 IDEE COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCSC)c1=O 559153774 JMEAMYCDQOUBNP-UHFFFAOYSA-N 446.598 1.378 30 10 IDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)c1 590914729 XNGLEWRNQHPZTH-LJQANCHMSA-N 439.581 1.981 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C#N)cc3F)c2)CC1 609229590 CXXURFDGEKHYTJ-UHFFFAOYSA-N 444.488 1.480 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)c1 672047973 BMLUIQBWZAPAGH-QGZVFWFLSA-N 428.470 1.664 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C(F)F)cc2)c1=O 684534550 ASXQJOFGWABMAM-UHFFFAOYSA-N 445.491 1.808 30 10 IDEE CCN1C(=O)C(=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c2ccccc21 727971537 BAOMEZVXAQGTOF-UHFFFAOYSA-N 427.530 1.805 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1 728531576 HFUBBKFAXBKSFN-QRVBRYPASA-N 432.565 1.448 30 10 IDEE C[C@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccc(C#N)cc1 729561774 HEUKRMYEIBTELN-NSHDSACASA-N 443.309 1.843 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730141411 JXOOBLATCBWRFA-BBRMVZONSA-N 437.541 1.350 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)Cc2ccc(F)c(F)c2)cc1 731007229 JGLYDNBPJPXRQB-UHFFFAOYSA-N 436.436 1.692 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CCOC)c2=O)cn1 732560948 DHRKTGUXHMLRHS-UHFFFAOYSA-N 438.509 1.167 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732651950 KOKZPKVRTSBAQW-HXUWFJFHSA-N 444.557 1.489 30 10 IDEE COc1ccc(CNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C#N 747498206 OWVKDDVYNBHFIF-UHFFFAOYSA-N 442.497 1.023 30 10 IDEE C[C@H](CC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 773831876 JMZYQQMFXKQIMO-MEBBXXQBSA-N 429.424 1.657 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2COC3(CCOCC3)O2)C1=O 776742754 PYSYRHJLHPPDBW-JKSUJKDBSA-N 437.493 1.815 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@@H]2COC3(CCOCC3)O2)C1=O 776743087 QZEKJPNVBBPFMH-WBVHZDCISA-N 433.530 1.985 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CCCC1 779314738 LUJFWQLGAPOCDY-LJQANCHMSA-N 440.525 1.953 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2nccc(C)c2C#N)CC1 784154057 LTEAMSKCNHBCNQ-UHFFFAOYSA-N 434.543 1.485 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 785957802 ISEFYLIJJMKVKS-SFHVURJKSA-N 441.465 1.693 30 10 IDEE C#CCN(C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 787146079 XKEQEPFKZVCEHR-HUUCEWRRSA-N 436.534 1.397 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)cc1C#N 788017092 UEIQWQILLRKJDC-SFHVURJKSA-N 435.528 1.510 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 791206854 ADMUHMSVGODZPB-IBGZPJMESA-N 429.473 1.268 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc[nH]c2C2CC2)CC1 792415479 CDJKKAPYWZVRAI-UHFFFAOYSA-N 442.497 1.454 30 10 IDEE C[C@H](C(=O)OCC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O)n1cnc(C#N)n1 798741782 WNTHPLRAKKPPGH-CYBMUJFWSA-N 429.392 1.937 30 10 IDEE CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801844951 IDAQRHDHTOCPLC-KRWDZBQOSA-N 429.550 1.392 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCOC)CC1 802399823 LGBTZNJVNBQWFU-UHFFFAOYSA-N 448.955 1.678 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 809889982 QVDPRAFFRDRTOX-YCRPNKLZSA-N 432.525 1.489 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 812178240 BKLVRHPSMMWLJJ-KRWDZBQOSA-N 446.552 1.974 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H]3C[C@H]32)c1 815695371 CUCRMTLXWJRSRJ-HYTQKQMHSA-N 434.518 1.218 30 10 IDEE C#CCN(C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)[C@H]1CCS(=O)(=O)C1 918756429 SVWFABFSVKQCRU-ZDUSSCGKSA-N 443.451 1.341 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cn1 1084016069 PEMDSTXBCZEBNJ-UHFFFAOYSA-N 448.513 1.009 30 10 IDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1129262455 APDOJXRZKMNBQY-INIZCTEOSA-N 438.488 1.966 30 10 IDEE N#C[C@@]12CN(C(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1134052602 JETKILIILYOSLF-QFYYESIMSA-N 443.382 1.436 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1136941361 PPZHVIPBHWNVQS-UHFFFAOYSA-N 428.443 1.625 30 10 IDEE C=CCNC(=O)CNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1152532292 SHGDRVFABFFLAT-UHFFFAOYSA-N 445.951 1.459 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c(=O)n1CCO 1189977951 ZVDODMXOHMPVMY-GOSISDBHSA-N 430.480 1.615 30 10 IDEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCOCC1 1195014422 OCTGEKCOWLTBBE-UHFFFAOYSA-N 440.465 1.378 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1CC 1286409460 MBSBPUAEKHSALC-QRVBRYPASA-N 433.578 1.510 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286426426 VLFCOKXGJYWZCM-IAGOWNOFSA-N 428.537 1.948 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1286445686 AJKWCAGQHGXWMZ-XHDOVSQSSA-N 439.582 1.815 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CCOC 1286446756 XELZABXIZHOWNQ-JOCHJYFZSA-N 427.553 1.699 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)NCC(F)F)CC1 1286484841 YCKIWOUQLNAQGW-UHFFFAOYSA-N 446.502 1.556 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC=CCO2)CC1 1286493472 BXKOOCDBJBMJML-ZCNNSNEGSA-N 443.548 1.313 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1 1286514515 INFLXQYRYBDJFC-AUSIDOKSSA-N 427.597 1.532 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1286520504 MXOZVYOEWVXKPQ-OAQYLSRUSA-N 445.545 1.648 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1286569028 ZXXMVDYICMXCTG-PGRDOPGGSA-N 436.516 1.988 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1286773849 UESOHQBINFHNTJ-HNAYVOBHSA-N 440.591 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286815190 NZKUMRYRVPRMMG-IAGOWNOFSA-N 443.485 1.532 30 10 IDEE N#C[C@@]12CN(C(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1289200966 DFIFLYMDMKJREG-LRDDRELGSA-N 446.407 1.812 30 10 IDEE C=C(CCC(=O)OC)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1290346703 IZJYJMCSEKPSHN-UHFFFAOYSA-N 426.491 1.554 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 1294552277 CQIYLICTJAEHIU-RAUXBKROSA-N 441.528 1.560 30 10 IDEE COc1ccccc1N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1=O 1295009063 XDPXISBURSCLGP-MRXNPFEDSA-N 431.445 1.667 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1300339861 SETHIMYMVOLEMU-OAHLLOKOSA-N 449.581 1.941 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1300430296 LAJXYINCDRHJMY-SFHVURJKSA-N 444.605 1.992 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(C)CN(C)C1=O 1300459407 SBSVOHNUYKFHEU-QFIPXVFZSA-N 430.553 1.940 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1300483963 PRUVDFVCTGCGID-QGZVFWFLSA-N 441.513 1.925 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1300500550 BGEGOFGESWAQFA-IBGZPJMESA-N 430.578 1.843 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1300655294 VDPCABXJIRSLHZ-ZHRRBRCNSA-N 430.505 1.588 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1300664060 NTTRSIJPLRXELH-VPTFNQTCSA-N 429.546 1.242 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(OC)CCOC2)CC1 1300718677 DYHNMBWPHCIBTK-QHCPKHFHSA-N 441.507 1.856 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N(C)C)CC1 1300718712 VJMQFJBMFVEYFW-UHFFFAOYSA-N 443.939 1.438 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300897782 VELJRBJCNDEWNP-NUJGCVRESA-N 432.525 1.269 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300982897 ROONFTLMXHHNMK-IBGZPJMESA-N 428.537 1.704 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302465234 LUVQEWVIQGWOND-MRXNPFEDSA-N 432.506 1.099 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCCOC1 1303808277 DDGGWPOANNPHDS-MAUKXSAKSA-N 432.550 1.823 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)NCCC1=CCCCC1 1304000090 CYSWYKRKCBQQRP-MRXNPFEDSA-N 432.546 1.690 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1315827016 WBOWPEQBDNVOMX-GOSISDBHSA-N 430.484 1.772 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1359006911 NPLZUFYOOUMQHT-UHFFFAOYSA-N 427.534 1.437 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncn(C)n1 1359012314 HRMODDNBIUQKDH-UHFFFAOYSA-N 433.564 1.279 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359131775 DYJLIFOKSWLDEQ-GOSISDBHSA-N 436.520 1.415 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1359133753 YPYUPCORQPJKSQ-MRXNPFEDSA-N 429.587 1.686 30 10 IDEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359167802 VGEAFFUTERDLMT-JOCHJYFZSA-N 446.573 1.778 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1359240392 MZDZUDMKYXZAAW-QAPCUYQASA-N 433.534 1.409 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCN(CC)CC2)nc1 1359243234 KCMFOOSUGCKNTE-UHFFFAOYSA-N 438.580 1.608 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1)C1CC1 1359246923 OYNSYTLYEYCLMW-HNNXBMFYSA-N 442.549 1.672 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)C1 1359321174 BNAWQAQYKOKMNF-MOPGFXCFSA-N 447.561 1.441 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1N(C)CCCC1(C)C 1360671399 FKGCKWBXNIBIAK-NVXWUHKLSA-N 437.614 1.749 30 10 IDEE C[C@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1440762738 OPGSVLXSUHCMLS-HYBUGGRVSA-N 449.511 1.764 30 10 IDEE C#CC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCCC)C1 1456809643 NISQFOZZISCGSB-UHFFFAOYSA-N 432.546 1.226 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N3CCN(C(=O)CC#N)CC3)CCC2)CC1 1465872499 OVBACNZHLOOANY-UHFFFAOYSA-N 434.537 1.503 30 10 IDEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1467990378 BGOVABDCZDLCCU-OAHLLOKOSA-N 429.970 1.723 30 10 IDEE COC(=O)c1occc1CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1470221865 HJKUUMFFLQMYBJ-HNNXBMFYSA-N 433.486 1.836 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2Cl)C1 1472246427 CMSYQZMTPCKVIA-UHFFFAOYSA-N 434.901 1.994 30 10 IDEE N#CCC1(O)CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)C1 1473414388 QKFVXYYFUVDTSC-DHDCSXOGSA-N 434.905 1.453 30 10 IDEE CC[C@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1497575514 NXIYCGAANCYAOE-SHQVNNEXSA-N 441.536 1.553 30 10 IDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N(C)C)cc(OC)c1OC 1504072671 BQADTJWQHMKKDF-NRFANRHFSA-N 446.483 1.891 30 10 IDEE O=C1CN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1505358800 QEPHTBNCMHHBLI-HTXNQAPBSA-N 441.879 1.061 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507722881 MTXKTJDBUNYEBM-UHFFFAOYSA-N 446.603 1.598 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[C@H]2CCCCO2)CC1 1507737878 GQNKVWTTWKULAN-MOPGFXCFSA-N 442.564 1.544 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1507983675 WNTCHBOVLOCHMJ-GOSISDBHSA-N 428.537 1.998 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1508076714 VJUQZPASUVIHGS-JKSUJKDBSA-N 430.557 1.922 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508079391 TYAYBBOOKYVRKL-QGZVFWFLSA-N 434.460 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCS(=O)CC1 1508139031 CCOMORGHCYOTDU-UHFFFAOYSA-N 447.586 1.606 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1509637730 IAQZFMLVGLXTMT-QGZVFWFLSA-N 426.518 1.216 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1COc2ccccc2O1 1510172947 FXJNFMJXAUCBON-GOEBONIOSA-N 446.533 1.468 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1(C)C 1518604868 MYZSWVKXEZKCMU-GOSISDBHSA-N 444.561 1.713 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1519275858 MJVMPANKZJCAQM-ZBFHGGJFSA-N 443.508 1.555 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 1521308967 CCKZZHLSEPDVSL-AWEZNQCLSA-N 425.532 1.515 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)C2=O)cc1 1521759073 GNMDIKUISMDFOL-MOPGFXCFSA-N 431.452 1.311 30 10 IDEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1525235630 JAZAXLMQCUTXIA-IBGZPJMESA-N 427.526 1.724 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)C1=O 1529223648 AKXMBUJWYWXOFK-UHFFFAOYSA-N 444.488 1.347 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1536289331 APBTVVYIECGURP-UHFFFAOYSA-N 433.511 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1539015359 PHTAAJYPZKPWRA-XLAORIBOSA-N 437.610 1.526 30 10 IDEE C#CCCCCn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539087036 QGJNZLVZPGJJMP-TZIWHRDSSA-N 430.597 1.997 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)C(C)C)CC1 1539462324 SURYMLLJLYAQIS-UHFFFAOYSA-N 428.512 1.524 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1539669127 LQKWZLXVFVHIEU-PXNSSMCTSA-N 441.598 1.829 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1539670316 ZZTLJBOJUFZARD-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1540863379 VOKVNRDJXDBBNB-LSDHHAIUSA-N 430.484 1.561 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCN(C(C)C)CC2)C1 1540881931 XKLBKCLDSNFYIO-IBGZPJMESA-N 446.596 1.531 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1541115644 CHGVRPIMLKHVQQ-IRXDYDNUSA-N 436.582 1.569 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1CCCNS(C)(=O)=O 1554150714 UFSGZACQOBMFNQ-GOSISDBHSA-N 432.550 1.967 30 10 IDEE CCn1cc(C(=O)N[C@@H]2CCN(O)C2=O)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1556750772 VMTPUXCGKUTCCA-MRXNPFEDSA-N 447.923 1.147 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)c1 1558213666 CJOQKAJHMVEJAJ-HUUCEWRRSA-N 432.420 1.412 30 10 IDEE C#CCN(C(=O)COCC(=O)NCc1cccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370349 LKALOZUGBAZNHU-UHFFFAOYSA-N 444.532 1.576 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1nnc2n1CCN(C)C2=O 1560136805 FGEWNWLSFYBCOJ-AWEZNQCLSA-N 427.534 1.828 30 10 IDEE C#CC[C@@]1(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CCCN1C(=O)OC(C)(C)C 1586356406 QHRYYUWWCDZNME-AOMKIAJQSA-N 439.520 1.612 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588064246 DQZLJKCRHSTLMR-QGZVFWFLSA-N 449.602 1.473 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588064387 HINCHFUECLVHTP-GOSISDBHSA-N 444.586 1.533 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNS(C)(=O)=O 1588084337 QFPYPKDXBKSONB-GOSISDBHSA-N 429.546 1.657 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2n[nH]c(C)n2)CC1 1588856683 AQKFPWHWSGXKIK-UHFFFAOYSA-N 434.548 1.496 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1593735717 QFBFSOPUBNVGJF-IBGZPJMESA-N 426.569 1.544 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1595595684 XXRNCHKVVZHMJM-NPPFBWRTSA-N 434.585 1.540 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(N)=O)c2)C1 1595744683 OFHMPXPZXYYOMD-LJQANCHMSA-N 438.532 1.523 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CCO1 1596635569 VADSVQRCKFLHDK-FQEVSTJZSA-N 426.521 1.711 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN1CC=CCC1 1611663571 MGULFKYLCFBHRQ-QGZVFWFLSA-N 443.577 1.658 30 10 IDEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CC1 1611721791 IDOOKWZSVRMZHN-RXVVDRJESA-N 429.546 1.991 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1612927551 RLIFXTBKWAPRQS-STGLLQLASA-N 425.518 1.808 30 10 IDEE CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1614827312 HKAZKEBOZIHMJG-UHFFFAOYSA-N 426.473 1.591 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1618859584 DTGGCJWMLHHNKZ-MRXNPFEDSA-N 447.517 1.163 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(C)=O 1619466045 MQBCLXZTOVFHOH-MRXNPFEDSA-N 430.534 1.834 30 10 IDEE COCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619774461 BRHDWODELUBDJG-SZNDQCEHSA-N 428.493 1.104 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1620318298 WORJGMVTNUDXOI-SKRHAUIRSA-N 437.504 1.404 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3OC)CC2)c1 1623354951 IAUCFMUIRGGQKR-UHFFFAOYSA-N 445.497 1.731 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1624893298 VDMKWTMALVVCNR-JXMROGBWSA-N 427.457 1.701 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)Cc2ccco2)c1 1626523845 VVQKRMGBTSSZIF-UHFFFAOYSA-N 431.514 1.166 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)s1 1627260239 XBASBTYFVDTVMP-QGZVFWFLSA-N 435.571 1.571 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CNc2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 1631579806 WJZQOEHVSVAPOC-MRXNPFEDSA-N 433.486 1.909 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)CC1 1632960499 IDGZJTAXVKBURG-UHFFFAOYSA-N 431.518 1.449 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3CC[C@H](c4ccccc4)NC3=O)C2=O)cc1 1634584328 LEXXIKDIQHHQRZ-NHCUHLMSSA-N 431.496 1.932 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)n1 1634600913 DUQKHKLEAAAETK-UHFFFAOYSA-N 430.939 1.476 30 10 IDEE CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1635543229 AUDWOXXJLYBZLS-NRFANRHFSA-N 431.493 1.603 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 1641266875 JQBWBLMFJOZNGJ-OAHLLOKOSA-N 448.570 1.586 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1641379463 ZLZKJAGEOKKYTC-AEGPPILISA-N 445.335 1.149 30 10 IDEE COCCOCCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1644171021 RJQBZVBUURLYQQ-KRWDZBQOSA-N 434.924 1.372 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCN(c4ccc(C#N)nc4)CC3)OC2=O)C1 1644411962 LPIQGPMZWJMCDH-SFHVURJKSA-N 427.505 1.628 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1653073041 RRMNDKVSAQJVEC-KSFYIVLOSA-N 445.541 1.990 30 10 IDEE C#CCCCS(=O)(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1665913085 HUMUSPPLSDATLO-AWEZNQCLSA-N 432.283 1.507 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1689828827 RSIISZBRLRNOAH-MELADBBJSA-N 436.504 1.230 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C1CC1 1689847054 RBSRZLSZDOASNM-AWEZNQCLSA-N 429.550 1.222 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1689990630 QSTMAXOPBIWZID-HZPDHXFCSA-N 435.575 1.612 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689990707 QXJAFMFHNVDXQU-IRXDYDNUSA-N 449.577 1.192 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690003795 YHGBFVLYPGONFB-VJBMBRPKSA-N 428.533 1.730 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCOCC1 1690008248 BKFARTBHMUYGSK-UHFFFAOYSA-N 448.556 1.906 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCOCC2)n1 1690108358 VUPGXBNJUTXWCH-LJQANCHMSA-N 426.521 1.496 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CC1 1690122601 WPUSULCIPWVJKH-GFCCVEGCSA-N 439.467 1.508 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690678345 SWRNRHGFMCZUIP-RYRKJORJSA-N 445.524 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1690720256 CZGVCZXUSOZOAN-QGZVFWFLSA-N 447.561 1.075 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1692661972 GHPPPGQDKPSXGW-SJLPKXTDSA-N 439.582 1.752 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC(C(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693243027 XSAHRWXEOFNORH-ZBJSNUHESA-N 449.515 1.482 30 10 IDEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1693391609 DSQQAPHQARSJQP-KRWDZBQOSA-N 432.488 1.382 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2c2cnn(C)c2)CCOC1 1696030688 RZDJWSMQHYHXQI-NJNPRVFISA-N 442.568 1.929 30 10 IDEE CCOc1ncccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1696180268 XGNFDMFMZNENOL-PGRDOPGGSA-N 442.520 1.889 30 10 IDEE CO[C@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1697225801 DRFLBXLOVHCFST-DYVFJYSZSA-N 437.298 1.570 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705530027 MZTYUJLIEMXRBY-QGZVFWFLSA-N 434.504 1.899 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)Nc2ccc(F)cc2)CC1 1705634959 NNGLPDBTDQOZGH-QGZVFWFLSA-N 444.511 1.535 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)OC)CC1 1705651246 PCUHZXSISOUTNT-HNNXBMFYSA-N 444.561 1.270 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCc1ccco1 1705666283 AQSVTAHEAWKKES-JOCHJYFZSA-N 433.472 1.827 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1705861312 BHUQRUYTGODCFW-QGZVFWFLSA-N 427.534 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)CC1 1705934060 ZXTRWDVAUOSNOK-UHFFFAOYSA-N 429.955 1.163 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1C(C)(C)C 1705939347 WAJDFPJWAOHKAV-UHFFFAOYSA-N 446.577 1.534 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706230309 LUPWVXVVCMESFF-UHFFFAOYSA-N 449.519 1.376 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@H](CC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1710455427 PMOWYHGOGRONLW-QTQXBYQESA-N 444.536 1.693 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC[C@@H]1C 1712072379 OUUJUYWCZGCNCI-YJBOKZPZSA-N 432.550 1.569 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1nncn1C 1712573949 GUHMDBNUSXLLJR-QRQLOZEOSA-N 436.520 1.922 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1712640013 SCRQJSBRFDWKHK-DJPFJPOOSA-N 436.532 1.291 30 10 IDEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O 1722309731 CZTIDBRUXGJAJJ-UHFFFAOYSA-N 443.371 1.825 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722371746 LEYYBSUZWPXGAW-RBUKOAKNSA-N 444.561 1.459 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1722374043 QGSWIYVIAQUZHR-HSZRJFAPSA-N 437.548 1.564 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722402224 SGBQGEIVZMVTPD-VQTJNVASSA-N 426.565 1.535 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1722420583 HWADATFJVFNNMU-JKSUJKDBSA-N 433.534 1.151 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722608817 MKUFTRPUNPSWLN-INIZCTEOSA-N 440.614 1.938 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722616707 BPCJIQFKFPWQIQ-SOABOVLPSA-N 439.582 1.174 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722694661 DDWUXNHXSZHIQP-AWEZNQCLSA-N 442.476 1.253 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCCC2)CCOC1 1723693182 RONBYHHWMYKGTL-UGKGYDQZSA-N 432.569 1.923 30 10 IDEE CN(C)CCN1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1729336899 COLWNIDTLPZEAD-QFIPXVFZSA-N 446.575 1.230 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740586780 MZPRTLKCVGXXEY-SFHVURJKSA-N 435.536 1.491 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740591287 NMCLVJZMJAAWKV-LJQANCHMSA-N 441.557 1.556 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740626042 VBUDVUAYMDLOCW-OQRWROFFSA-N 426.608 1.405 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1740672049 VPUZCXRIDNUCRD-GOSISDBHSA-N 430.578 1.929 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H](OC)C(F)(F)F)CC1 1740700959 OSHXWJBZGOGAQH-ULQDDVLXSA-N 445.486 1.725 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740710096 REEMSYSDHAZWDF-JKSUJKDBSA-N 439.545 1.539 30 10 IDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CCCO1 1743335422 CLSHZHWZRMELBJ-SFHVURJKSA-N 437.548 1.644 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1743615284 BXJVDSFCKIOZNY-OAHLLOKOSA-N 426.612 1.910 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC[C@H](CO)O1 1743752813 BOSBZSJXYFRXFV-XWTMOSNGSA-N 440.552 1.708 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1745795683 FUSDZYAHWDLYKK-LJQANCHMSA-N 433.516 1.921 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)c1=O 1746363634 DUNNSIFVRHLBRN-HSZRJFAPSA-N 431.500 1.748 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1748715262 OWEMLQLPRHICHK-SFHVURJKSA-N 436.564 1.923 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748717896 LENDNAODRTYLST-NQIIRXRSSA-N 439.516 1.935 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749669558 ISJAAIHVURWGBK-DLBZAZTESA-N 429.525 1.972 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749671177 ZRHROUJMQORLHC-SFHVURJKSA-N 448.531 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1749732543 YPTRXDJYUUZETH-CVEARBPZSA-N 425.555 1.212 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCOCC2)CCO1 1750387829 CFBBBMNIEFMGEK-KRWDZBQOSA-N 430.484 1.447 30 10 IDEE Cc1nccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1751805150 NPZMDGUVIJAWEJ-KBXCAEBGSA-N 438.533 1.316 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)c1 1760128409 HMCYBTCYXMPTKX-IBGZPJMESA-N 443.467 1.798 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1760180254 AXYCBEXGNCEWPB-PGRDOPGGSA-N 444.557 1.741 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1760203169 XHJXGULGZCBNDE-LJQANCHMSA-N 427.530 1.549 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760279848 ALRGTFSYVGHNME-HXUWFJFHSA-N 443.621 1.984 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760450831 UBSQNVHZKCTBAZ-SJORKVTESA-N 444.540 1.297 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC)[C@H](C)C1 1760557562 PKIOOMFUWAOXHR-GOSISDBHSA-N 435.598 1.271 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1762033882 CTLUXJYGYWSPHL-HOTGVXAUSA-N 446.577 1.991 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1766679211 CVINJYOAPZQVAA-IBGZPJMESA-N 437.497 1.839 30 10 IDEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1768047303 MVVHCURJOIRKDQ-JKSUJKDBSA-N 440.570 1.214 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1771039388 BFTRXYLEWCDLFS-IBGZPJMESA-N 446.577 1.408 30 10 IDEE COCCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1771040727 SXSDJGMXHHXURH-HXUWFJFHSA-N 433.488 1.416 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CC1 1771162738 JUJXILDHELDMQX-UHFFFAOYSA-N 449.515 1.343 30 10 IDEE O=C(C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)N1CC(F)(F)OC(F)(F)C1 1849189512 ZPEWVQVQKQZGTI-UHFFFAOYSA-N 431.330 1.140 30 10 IDEE O=C([C@@H]1CCCCN1C(=O)c1cccnc1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851782322 OWEFAESOBBHPMY-ZDUSSCGKSA-N 432.424 1.947 30 10 IDEE C=CCN(C(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)[C@@H]1CCN(C)C1=O 1852209331 VTVGODGKIAAWBT-MOPGFXCFSA-N 425.595 1.301 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)C[C@H](c1cccc(OC)c1)N1Cc2ccccc2C1=O 1853243864 GAEAVULOGIUVOC-OAQYLSRUSA-N 440.521 1.947 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCc4ccccc4C3)C2)CC1 1857041796 MSUPAZNELGGVKE-UXHICEINSA-N 429.542 1.732 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@@H]2CCCO2)CC1 1857467920 SOHYTWFKKGTRQN-IBGZPJMESA-N 431.514 1.986 30 10 IDEE CCOC(=O)C(=Cc1ccc(C(=O)O)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 2040461248 GRCYEGSSMRUYTE-UHFFFAOYSA-N 443.433 1.745 30 10 IDEE Cn1cc(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609342 FZYAXRXYLRPWDC-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255653506 JQMREHKYZABDKC-UONOGXRCSA-N 434.346 1.752 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255874812 YLOHDFVYKVWCKK-OLZOCXBDSA-N 435.334 1.242 30 10 IDEE Cc1ccnc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c1B1OC(C)(C)C(C)(C)O1 2267156940 QMEGGYRBCNOREI-UHFFFAOYSA-N 447.341 1.713 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267171620 NFRNHGQYTCBEQU-CABCVRRESA-N 448.329 1.188 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)n1 2267188506 NHSCGJJJUNCMRC-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267285537 JVFZPRZSIKNYTN-PQEBFOHHSA-N 447.341 1.724 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H]2C2OCCO2)OC1(C)C 2267473238 BRTYQYKMMZIEQW-AWEZNQCLSA-N 429.369 1.714 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269045175 IDKSZBXKUZSBAX-QGZVFWFLSA-N 440.309 1.091 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2269717657 OIAYCCSSZFCHRP-MRXNPFEDSA-N 449.357 1.647 30 10 IDEE CC1(C)OB(c2sncc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2315692966 CYJBIKMDNIKUML-JOCHJYFZSA-N 443.378 1.809 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2337184488 QTPYYFLYDBHLFE-KFWWJZLASA-N 446.357 1.847 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1 28645365 SDESVICQPHUWJE-IWAYRVGRSA-N 438.484 1.593 30 10 IDEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 59831871 JJKZLDBFRFEKRJ-ODCIPOBUSA-N 440.489 1.770 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 107863836 YQHKXLGKKORQBS-CALCHBBNSA-N 442.541 1.798 30 10 IDEE CCOc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)C2=O)cc1 219963801 OVYCOVYHHSDTFL-GOSISDBHSA-N 436.472 1.669 30 10 IDEE C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2CO[C@]4(OC)C=C(OC)C(=O)C=C4[C@@]2(O)C3=O)O1 253370299 PALZWWLQIUCKJJ-SYMSJMEQSA-N 426.421 1.653 30 10 IDEE biogenic CCOc1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2C[C@@H](O)COC(C)C)cc1 254875646 BOCUNAITNFDUPI-OAHLLOKOSA-N 444.492 1.466 30 10 IDEE CCC1(CC)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O 470609676 XDRLFQPWOHBAFP-ZQHDKMAOSA-N 430.530 1.913 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 479838811 UFYAXZGOWFDXKT-INIZCTEOSA-N 432.546 1.476 30 10 IDEE C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)OC 481763198 NUIHGOLUACLJHB-KRWDZBQOSA-N 444.937 1.601 30 10 IDEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N(C)Cc1nnnn1C 508511454 UNKONSUXDGVQJX-UHFFFAOYSA-N 443.537 1.076 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nc(-c3ccc(Br)s3)no2)CC1 511687994 GVPRBPVHAFBWDP-UHFFFAOYSA-N 426.340 1.980 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 522109162 HEBDMWZGFKHJAF-UHFFFAOYSA-N 435.484 1.688 30 10 IDEE COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 539878881 NCDSKJLNVIHJNL-HXUWFJFHSA-N 428.514 1.962 30 10 IDEE CC(C)N1C(=O)C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c(F)c1 541191780 LKJPLTSEMAMZFK-RDJZCZTQSA-N 433.871 1.911 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1c(C)cccc1C 543658003 LLASWZHPHUQTFK-UHFFFAOYSA-N 448.504 1.982 30 10 IDEE Cc1nc(CN2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)n[nH]1 568690193 IHYHAKSAFLXCHT-UHFFFAOYSA-N 425.312 1.254 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 590913987 IJZRBMAXLJASCW-GOSISDBHSA-N 425.554 1.673 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 611108993 LODDGDJTGVYFLT-MISYRCLQSA-N 444.557 1.922 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)CC1 613512720 NBUGJRJPONJKDX-UHFFFAOYSA-N 443.573 1.985 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C1 619850153 TXIAYBIDCRQBAF-MSOLQXFVSA-N 430.534 1.514 30 10 IDEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC1CC1 730143949 XUXSKJVEULDXCT-QGZVFWFLSA-N 445.589 1.581 30 10 IDEE CCN(C(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCS(=O)(=O)C1 732399469 PNZRWACCIVFKIX-KRWDZBQOSA-N 443.481 1.938 30 10 IDEE CCN1C(=O)C(=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c2ccccc21 734751677 XJRIICFOLUMFMF-UHFFFAOYSA-N 428.518 1.200 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 743115869 ZWTTWHFEDIUVGV-SSLBDODZSA-N 433.534 1.630 30 10 IDEE C#CCN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCS(=O)(=O)C1 749283490 DRFYLJSBEVNFFC-FXAWDEMLSA-N 437.993 1.715 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CN2CCN(Cc3ccccc3)CC2)C1 756888328 ACUAMEOFZIBRPI-UXHICEINSA-N 427.549 1.679 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 758059573 LUDYTHYJPWWTDS-UHFFFAOYSA-N 433.468 1.135 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)n1 760775878 XIKUWLWYKGWZFE-HSZRJFAPSA-N 435.484 1.687 30 10 IDEE CC(=NNc1ccc(S(N)(=O)=O)cn1)c1cc2c(cc1Br)NC(=O)CO2 767356961 XJLASPWHTGDJJX-UHFFFAOYSA-N 440.279 1.659 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)cs2)c1=O 782695064 HUCDGKXXYGPLQT-UHFFFAOYSA-N 435.958 1.585 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 784124280 JARNIQPFIMFMBR-QGZVFWFLSA-N 438.500 1.614 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 788695445 NVNYGKYJRAJOAK-OAQYLSRUSA-N 444.557 1.599 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)n1 789322456 JJCZXANKQXNUQV-UYAOXDASSA-N 426.517 1.652 30 10 IDEE COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc3cnccc23)c1=O 794581934 RTIHBNGFXWPEJN-GOSISDBHSA-N 449.532 1.603 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1 802338972 ZFJYPYHBMJIJSM-IBGZPJMESA-N 432.484 1.913 30 10 IDEE N#Cc1nc(F)ccc1OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 808048161 KNVLVRAMPWEXRL-MDWZMJQESA-N 430.461 1.616 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)C2)nc1 816836870 CUILTGBFWVSFNW-GFCCVEGCSA-N 426.376 1.935 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)C1=O 817724435 IRSCKLBADQYSDW-GASCZTMLSA-N 434.493 1.069 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccccn1 1084619066 QAFLWXRGTHKWLY-UHFFFAOYSA-N 427.450 1.862 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C3(c4cccc(C#N)c4)CC3)ncnc1-2 1116325267 YVXMZVXRENQCLQ-UHFFFAOYSA-N 440.305 1.631 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)c1 1136546243 ALEDXCQDOHDUNI-JKSUJKDBSA-N 443.447 1.958 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1 1137802144 WGVPHISZGWZYGU-GOSISDBHSA-N 430.461 1.439 30 10 IDEE CN(C)c1n[nH]c(C2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n1 1157683737 ZVQCOLJMVCHPQU-UHFFFAOYSA-N 430.534 1.968 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN([C@H](C)C(=O)NC1(C#N)CCC1)C2 1197759869 RUQZSXMCXDMGEG-LUDNOHBGSA-N 434.537 1.716 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1253893065 JZYJEZCNCCXFKY-HZPDHXFCSA-N 427.567 1.854 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2n[nH]c(C)n2)c1 1286308022 DJRZFEKYDMGGAD-UHFFFAOYSA-N 449.519 1.142 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1CCOCC1 1286316737 GAMKDEVVTDHMMS-UHFFFAOYSA-N 435.536 1.493 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1286396023 TZSDKBDOSNHUNN-RTBURBONSA-N 437.610 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286398364 JLZAFDSUXPZKAE-GOSISDBHSA-N 435.532 1.158 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286412430 AQZRTXVGRPYZDJ-SFHVURJKSA-N 438.532 1.500 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(NC(C)=O)cc2)CC1 1286472038 QCUMJENKLQSZHC-SFHVURJKSA-N 440.548 1.764 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286479704 IZFVHJPAWFMDBH-SJORKVTESA-N 426.487 1.421 30 10 IDEE C#CCSCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286512137 JHQOMIVPRVMPBU-LLGFUMIMSA-N 433.578 1.259 30 10 IDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1286608237 OKAOAHKWXUEWOF-SFHVURJKSA-N 434.518 1.618 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 1286697809 GPOKRNXOIYNNFB-UHFFFAOYSA-N 446.581 1.666 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1286726207 BNDJNBPNVYSVLW-MRXNPFEDSA-N 438.575 1.449 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1-c1ccccc1 1286765737 ISXQVZUVQUMRJJ-UHFFFAOYSA-N 436.520 1.782 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286776373 WFFCFRHRPOQZGN-WMZOPIPTSA-N 438.598 1.108 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCCC2)C1 1286816263 DRSCQNXFBHAQJI-HNNXBMFYSA-N 445.611 1.260 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286824428 CTIAPBGSDUXYSO-JTDSTZFVSA-N 428.555 1.145 30 10 IDEE CC/C=C\Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1293658203 DLKWUNMJUXNRJI-WAYWQWQTSA-N 437.552 1.721 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1)c1cc[nH]n1 1300244047 UDSUZMTVDCNAHU-FQEVSTJZSA-N 434.880 1.857 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1300411151 RAGKDHQPFIGDPU-HZPDHXFCSA-N 427.596 1.356 30 10 IDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300421495 IKOFXOVSAVMYEN-UHFFFAOYSA-N 436.560 1.980 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300498378 JVDRFAMYEARUKX-RXVVDRJESA-N 431.562 1.442 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@H]1OC 1300650539 UAWHEINXOAQPBS-IAGOWNOFSA-N 428.493 1.063 30 10 IDEE C#CCSCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OC(C)C)CCOC1 1300777909 GVIZTZBTCIBEOS-NRFANRHFSA-N 449.577 1.764 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(C)=O)C1 1300892434 SLFZRIQXOHZUSG-WFXMLNOXSA-N 430.553 1.487 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300979898 HVSQZMRKAVENMY-LJQANCHMSA-N 449.515 1.882 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301257756 DUQGQBNFEOBOMJ-MOPGFXCFSA-N 433.553 1.592 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301491305 ORYYVQHJOWQBQK-KRWDZBQOSA-N 427.553 1.574 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1C 1301501686 ZRSGRWPMVVTYSY-IAGOWNOFSA-N 431.562 1.988 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301578523 CSLLSGZTBZUKEF-QGZVFWFLSA-N 441.561 1.977 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1303066418 FGTISHUNXBWGRU-OKZBNKHCSA-N 439.582 1.486 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1303507666 WSJLLEXEKICXNP-UWJYYQICSA-N 434.541 1.210 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1305224223 QXRUNJNVSJGMIN-IEBWSBKVSA-N 437.548 1.880 30 10 IDEE N#Cc1cn(CC(=O)N2CCN(Cc3cccs3)CC2)nc1I 1307362992 HLZRRJVBOJBQIP-UHFFFAOYSA-N 441.298 1.765 30 10 IDEE CCOC(=O)C1(CC(F)F)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1308152650 IVBRWHFIMQZMIL-QGZVFWFLSA-N 428.524 1.979 30 10 IDEE CS(=O)(=O)Nc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1326268394 BGFRLRLAKAJZFO-INIZCTEOSA-N 441.465 1.709 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1358904472 FFEJXGIOAQDAPZ-MRXNPFEDSA-N 445.593 1.716 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1358915763 OOAYCOYWQTZBPZ-FQEVSTJZSA-N 428.581 1.753 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1358939955 KZLNCZJCBYLHFO-XUZZJYLKSA-N 439.560 1.901 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1359024705 SZVMDLHNPKIQKK-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359032770 CGPWONNTRZSUOR-HSZRJFAPSA-N 438.532 1.196 30 10 IDEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1359125816 UPXJLFJTPVSNDI-UYAOXDASSA-N 448.612 1.657 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1359227903 PCDJMPCPYZXBOU-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1359306344 DCSFLIPYLYMMKD-MRXNPFEDSA-N 426.521 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359328559 IGOUYXAPACCPIQ-HDICACEKSA-N 431.518 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359329824 WFDADEWSRNYQIG-IBGZPJMESA-N 442.545 1.857 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1 1359330548 VQBFGBQRVUROLT-UHFFFAOYSA-N 442.549 1.449 30 10 IDEE CC(C)(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359584908 MSZBSZMLINAVOH-QGZVFWFLSA-N 438.536 1.638 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1=O 1436773450 FZOGQEVAFLQNFZ-GFCCVEGCSA-N 432.286 1.430 30 10 IDEE CN1C[C@@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1438206928 PKKAWOJTJQRCDG-IBGZPJMESA-N 441.532 1.721 30 10 IDEE Cc1ccc(C2=NO[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cc1 1441006184 DLANROGYASGVKT-OAQYLSRUSA-N 438.509 1.893 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccsc2S(N)(=O)=O)cc1 1441665641 MXNUTEBOQFNGSD-RGEXLXHISA-N 442.544 1.461 30 10 IDEE C=C(CCC(=O)OC)C(=O)NC[C@H](O)COc1ccc(I)cc1 1445796058 IFHBCGCUHKIZAB-ZDUSSCGKSA-N 433.242 1.657 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)s1 1452726143 LEYOEVALWAXMMS-HOTGVXAUSA-N 427.592 1.370 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 1455115662 QJCMJWOLLCBIGZ-UHFFFAOYSA-N 426.520 1.321 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 1456040669 JAAASBNBURJMRX-INIZCTEOSA-N 438.513 1.485 30 10 IDEE CCOC(=O)C1([C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1456545562 DHHGAVQTPFZEGC-CABCVRRESA-N 437.518 1.090 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 1462899652 YRDNNLDZQKLMPB-CYBMUJFWSA-N 441.449 1.856 30 10 IDEE CN(C)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1469772102 RPBIJSJVSHGWDX-PSCUFVCCSA-N 433.553 1.006 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(=O)n1CCO 1473079328 QVCFYLOMUDLAFX-OAQYLSRUSA-N 432.480 1.283 30 10 IDEE C[C@H]1N(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1494633163 KALITVSAPOLECG-RMYFCYLKSA-N 425.493 1.803 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)O)CC1 1504936906 YJOZRRDOBGKWLA-UHFFFAOYSA-N 440.548 1.957 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507676843 QVPYCFNZFOLFGI-SFHVURJKSA-N 437.548 1.642 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCNC(=O)C(C)C)CC1 1507718634 SNBOEDXIJPHBJF-UHFFFAOYSA-N 446.559 1.863 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NCC)CC1 1507791563 NFDLPUSSYTXOBB-DLBZAZTESA-N 433.557 1.249 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1507812932 QUGCEHZFMXJDEK-FRQCXROJSA-N 427.571 1.629 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1508040053 SFUHHKBDEKGUDZ-IAGOWNOFSA-N 427.571 1.235 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCn2ccnc21 1513408009 GMXGYDGGUJEJNY-RDJZCZTQSA-N 426.525 1.699 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1519110509 DRLFVHWXYJLYPV-LJQANCHMSA-N 426.521 1.784 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Oc3cccc(OCC#N)c3)CC2)c1 1528283831 OEUAZWVOCOMLAR-UHFFFAOYSA-N 429.498 1.955 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCc3nc(C#N)ccc32)CC1 1530439053 FAYQSJQHBYVIHZ-UHFFFAOYSA-N 429.502 1.938 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1531180818 GNJABJDFLQNXFZ-SFHVURJKSA-N 444.528 1.898 30 10 IDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@]23COCCN2C(=O)COC3)cc1C 1535538706 ZVLDZKQWCPLRNS-HSZRJFAPSA-N 437.500 1.438 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCCCc3ccccc32)cc1 1537030823 QZQJMMUCEXMQCL-UHFFFAOYSA-N 440.525 1.978 30 10 IDEE N#C[C@@]12CN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1538539279 BQRCRLRLPBYKCL-UGKGYDQZSA-N 429.542 1.255 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539094478 QFBRGEPHUZZIHL-CABCVRRESA-N 426.543 1.017 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)COCCO1 1539258136 QQWUFOQQRMXENC-NRFANRHFSA-N 442.545 1.117 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1539517885 SYFOEWVFRAQBDU-KRWDZBQOSA-N 432.594 1.875 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540872299 JZERFPOCWNWQMN-KRWDZBQOSA-N 435.525 1.324 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCO[C@H](C)C2)C1 1540895347 QCZKYKYXEBQJKP-UXHICEINSA-N 446.596 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1540899518 QVLVHPBTECXKTI-SFHVURJKSA-N 443.529 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540901278 YPLSVPZYUFKHCA-MRXNPFEDSA-N 432.550 1.086 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CC 1540901416 CPUKBKUXDCTDEF-UHFFFAOYSA-N 440.595 1.685 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1540906918 GQWGKJRMZQKSNA-UHFFFAOYSA-N 443.573 1.794 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1541053872 HNZBDESHDYKFCZ-GOSISDBHSA-N 433.520 1.839 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1541639457 JFUOTWRTKPYZIO-FBMGVBCBSA-N 443.533 1.641 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1554127725 HPDASBLAKKTPML-INIZCTEOSA-N 444.561 1.602 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1555664639 RTFOMOIUSXXYRX-QGZVFWFLSA-N 444.536 1.816 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CC1 1555666020 WKJXFBRYXJIOIW-INIZCTEOSA-N 427.509 1.120 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1 1557659357 VERBMRVHRWNPLR-QLJPJBMISA-N 427.404 1.492 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)ccc1F 1570741580 LZSWGDWTBUMZBT-IBGZPJMESA-N 444.492 1.535 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(CC#N)c2ccccn2)c1OC 1586333968 NEVPSMCSABZZBI-UHFFFAOYSA-N 446.485 1.290 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1 1587676035 WPCKZRLZILFOBG-UHFFFAOYSA-N 438.509 1.506 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCNC(=O)c2cc[nH]n2)c1 1587683314 HBHIHHVDALVJDU-UHFFFAOYSA-N 448.531 1.785 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(Br)n1 1588672227 CQVKHSZQCITSLP-UHFFFAOYSA-N 447.337 1.692 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C)CC1 1594536168 VPDLIABPPAMUQG-ICSRJNTNSA-N 448.612 1.815 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1595544442 IFIKBGWTTHHXTR-IBGZPJMESA-N 444.580 1.846 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nscc1I 1596093101 JWBDNZYLCOVWRR-SECBINFHSA-N 440.270 1.760 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)cc1 1596419893 GDOVDZKFIRIYCM-SILNSSARSA-N 425.532 1.263 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc1 1598020649 DMFFBMHWGMYTPD-UHFFFAOYSA-N 428.470 1.140 30 10 IDEE C[C@@H](C(=O)Nc1ncc2c(c1C#N)COCC2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1598021065 SUMZYMWEXAXLKL-ZDUSSCGKSA-N 429.477 1.432 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4cc(C#N)ncn4)CC[C@@H]32)CC1 1612487496 HAGVNXZBQBLCDD-IRXDYDNUSA-N 427.509 1.720 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1 1613897334 AEHJVXYRQMWVJB-XOBRGWDASA-N 435.504 1.797 30 10 IDEE C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)C1=O 1614874820 DDTHGJYARQIAQY-SFHVURJKSA-N 433.346 1.237 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C#N)ccc3C)CC2)cc1 1616830993 AZYFKOHQWPTDBY-UHFFFAOYSA-N 442.541 1.757 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCO[C@](C)(C#N)C2)CC1 1617895206 LMDYVMGTCUAFMJ-HXUWFJFHSA-N 435.502 1.015 30 10 IDEE COCC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1618171566 CIJSSKGRFNVTIO-MGPUTAFESA-N 441.550 1.047 30 10 IDEE CS(=O)(=O)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1620168164 XLYPSLQWNFGZIO-QGZVFWFLSA-N 425.555 1.363 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 1624793787 PBRYKQOLLYCBSP-GOSISDBHSA-N 449.467 1.777 30 10 IDEE COC(=O)c1cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)ccc1N1CCCCC1 1630296750 RZGSPBHDZJFNPV-UHFFFAOYSA-N 425.445 1.626 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1 1634928377 GIMRUOQYIGMRDG-UHFFFAOYSA-N 428.466 1.623 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1 1635098023 MYVSGIKLDXEQDE-UHFFFAOYSA-N 443.522 1.153 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)nn1 1636330753 LKJRPGSQWNBVLL-AWEZNQCLSA-N 438.488 1.988 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 1639515568 UVJXBQWFAJDYDC-HZPDHXFCSA-N 441.525 1.143 30 10 IDEE N#Cc1ccc(CC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)cc1 1640755484 SVFLZSSFBXGKOF-UHFFFAOYSA-N 427.482 1.632 30 10 IDEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccccc1 1640783550 DMMBSTJBSWDHQB-CVEARBPZSA-N 442.541 1.367 30 10 IDEE C[C@H](CC(=O)NCc1c(Br)cnn1C)/N=C1/NS(=O)(=O)c2ccccc21 1643508038 BOATYPRYXBRFJO-SNVBAGLBSA-N 440.323 1.316 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)C1 1645270492 KOKOVRBBVGJRAI-IBGZPJMESA-N 433.574 1.700 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1648101771 CHSVRFFVYBZNBF-UHFFFAOYSA-N 426.495 1.030 30 10 IDEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1648217317 PNNUXGLDWXJCTE-AUUYWEPGSA-N 443.481 1.360 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2)c1cc[nH]n1 1648583011 OPQMMHWUSGIYNU-SOUVJXGZSA-N 449.508 1.598 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(O)nc4c(Br)cccc34)C2)c(=O)nc1O 1648790717 RPOOONHYPLZLFY-UHFFFAOYSA-N 442.229 1.534 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 1651055008 JSEIFPNTDKJYIV-UHFFFAOYSA-N 429.564 1.131 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1652929080 NWKWBHXVJMVVCX-QGZVFWFLSA-N 435.521 1.614 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1653704137 VULLVLCLJRKTBI-LLVKDONJSA-N 426.394 1.425 30 10 IDEE N#Cc1c(NC(=O)CCN2CCN(C(=O)c3ccc(O)nc3)CC2)sc2c1CCC2 1653843501 GVJLYKDFWSQYFT-UHFFFAOYSA-N 425.514 1.996 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1(F)F 1672353998 VRJGEICZRKHJOP-IAGOWNOFSA-N 434.443 1.889 30 10 IDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1680492284 DPUVBQCUDHRBRH-UZLBHIALSA-N 430.530 1.990 30 10 IDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1685802909 VFJQQLZGOQFAJE-FUHWJXTLSA-N 434.518 1.306 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1689954182 OHNAKSXNVIQXQQ-OAHLLOKOSA-N 445.453 1.874 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCC 1690047353 OTSPHGGTOMJMHY-UHFFFAOYSA-N 434.548 1.441 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690107822 DNOWHHYUEUZYMJ-QGZVFWFLSA-N 444.536 1.470 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690135375 VHXMESQQGXMHRM-BCDXTJNWSA-N 444.580 1.586 30 10 IDEE C#CCSCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1690186004 JRVXWIGPJIRMBY-UTKZUKDTSA-N 433.578 1.498 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1690265441 OVMQHJGEYOKQRK-IRXDYDNUSA-N 441.598 1.829 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 1690319678 VHERFIZAXZMRGJ-FQEVSTJZSA-N 432.550 1.564 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690451396 FWFRLVMPEVKLDP-CABCVRRESA-N 433.600 1.258 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690720978 WNNWIOHZFRSBHW-PKOBYXMFSA-N 446.577 1.098 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1690733732 LVKVUZNSXCNWBT-SNRMKQJTSA-N 441.623 1.814 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1690995989 SEEHSMUAJITLLP-RHSMWYFYSA-N 444.561 1.859 30 10 IDEE CCN(CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1695656584 QWWLXWYVMMWIET-DLBZAZTESA-N 446.577 1.861 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCNC(C)=O)CCOC1 1696024591 MZOCHUJFAWTHQV-JOCHJYFZSA-N 426.521 1.964 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1696477267 CATOGEWSKOPTAB-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1696484159 IOSMAMMLBLJRSC-FQEVSTJZSA-N 439.582 1.883 30 10 IDEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1696609992 HPQMJOOFSLJSOX-CVEARBPZSA-N 448.524 1.162 30 10 IDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1705555239 FCLRHJMHXCPMMB-QGZVFWFLSA-N 426.546 1.844 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1705769287 OATFSINUWRQCRI-INIZCTEOSA-N 427.596 1.317 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1705843252 ASZCOGNDEVSKKP-QGZVFWFLSA-N 439.513 1.429 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C)C1CC1 1705855266 ZQHCFUQJBNFSNY-GOSISDBHSA-N 449.581 1.361 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705899620 AHMOOYXJVCEPJE-MRXNPFEDSA-N 425.518 1.985 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)CC1 1705941656 QNNWKGUMFUFPPK-UHFFFAOYSA-N 425.522 1.166 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1705992991 WCNYMLUHAYMSGG-AOMYARPXSA-N 427.509 1.129 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNS(=O)(=O)CC 1708531650 VZTMPUQAEVDKRU-MRXNPFEDSA-N 446.581 1.324 30 10 IDEE CCN1CCN(c2ccc(Cn3c([C@H]4CCOC4)nnc3N(C)C[C@@H](C)C#N)cn2)CC1 1710270654 IQGPXYMGQPNVFO-ICSRJNTNSA-N 438.580 1.963 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCOC1 1711025975 BCPRGOIYXHIRBE-FUHWJXTLSA-N 430.534 1.323 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1711585969 KHESWAZDSJBIBN-QGZVFWFLSA-N 439.442 1.951 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)CN(C)C1=O 1712453106 AYMRYUHYGWBCDC-QFIPXVFZSA-N 440.504 1.561 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1712458884 AHODHTISRCCNFW-GOSISDBHSA-N 433.534 1.948 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1722350433 ZWRSXFRAQTTXPT-UHFFFAOYSA-N 435.532 1.372 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1722363085 YWDWPDSHDGCDIS-HNAYVOBHSA-N 432.575 1.648 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722363761 VIGZFYMMELVNOZ-GOSISDBHSA-N 427.530 1.098 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ncnn1-c1ccccc1 1722370204 IVWCZBMAJMOACN-UHFFFAOYSA-N 430.516 1.898 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1722390673 VRTXHJLSBREVPG-QGZVFWFLSA-N 442.541 1.860 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCSC2)CC1 1722434445 RURVNZOLIDTALF-KRWDZBQOSA-N 445.614 1.857 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722495360 GXKAAVPKZJUHBA-JZXOWHBKSA-N 446.939 1.926 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC)C1 1722545449 FJFYMXLIBPHSBN-OAHLLOKOSA-N 426.926 1.953 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccccn2)CC1 1722692488 NTFYUFVGNITXNO-UHFFFAOYSA-N 440.552 1.220 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722701273 LKQIZLCTAPPHKL-INIZCTEOSA-N 442.568 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)C1 1722729845 YTRMXHFROLLRIY-UHFFFAOYSA-N 446.577 1.169 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1726528801 HXWOSHGEHOVPMC-FYINFDKHSA-N 429.546 1.991 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726985895 AFXOSVJSSPXYMQ-RJCBAWPRSA-N 443.552 1.623 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1729201380 HGLFLEMPRZGGPV-HNNXBMFYSA-N 441.460 1.710 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCN(C)C1 1730750032 ICQRFLDBLDRUEL-OFNKIYASSA-N 440.548 1.721 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)(F)F)C1 1731180599 KORFGEKPQDSQEB-INIZCTEOSA-N 441.345 1.974 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1740533169 PSSSHWSDRKDMLH-IRXDYDNUSA-N 441.561 1.639 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740573513 DWYAXWNUDKNBCF-QZTJIDSGSA-N 435.594 1.726 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740595066 KYOUZCOCJDEQHV-UHFFFAOYSA-N 437.529 1.339 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740616142 UFQZYSVZLSFKIW-HOCLYGCPSA-N 441.623 1.575 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740625930 UDRHMMIFWYRUJB-LJQANCHMSA-N 430.578 1.843 30 10 IDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740672773 UJZVLULAQBCBRG-UHFFFAOYSA-N 435.532 1.978 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCS(=O)(=O)C1 1740687629 DKPWCMCTSXQWFD-GOSISDBHSA-N 441.557 1.802 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)NC(C)C)CC1 1740704645 VKTOLCPWHZXDCR-UHFFFAOYSA-N 440.523 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)CN2CCOCC2)CC1 1740706165 SAWWCURTFPSUSB-IBGZPJMESA-N 444.624 1.801 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740719112 ZDTRBDMLVLTFKF-DLBZAZTESA-N 438.561 1.525 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N(C)C2CCCCC2)CC1 1740818134 DBRIZDPKHKCRJK-INIZCTEOSA-N 438.598 1.836 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1740960078 KQYDNNPYDRQQRT-MJGOQNOKSA-N 427.505 1.671 30 10 IDEE CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741389573 GKFJXJIQUBZUON-RXVVDRJESA-N 429.546 1.849 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccsc1 1741941997 ZGPVHTKVBROSDZ-YOEHRIQHSA-N 449.606 1.369 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1743384359 DITXVEQUAIDQLA-JHVJFLLYSA-N 426.452 1.711 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1746737332 ZCOFMOFYVQNJRJ-JTSKRJEESA-N 444.511 1.912 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1748751997 PSUJGCDIJMKJAD-ZDUSSCGKSA-N 442.467 1.829 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1748789725 AWTIBLOMKCUNCI-QAPCUYQASA-N 435.525 1.623 30 10 IDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC1 1748898223 FZELYEUQQDQXPJ-UHFFFAOYSA-N 432.572 1.631 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1749232879 WJXIXEHMJRSVDB-HXUWFJFHSA-N 427.549 1.991 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749457447 RRLPYEHUYXMITG-KRWDZBQOSA-N 439.520 1.179 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1749575018 JZNORLSWTOKZIK-LJQANCHMSA-N 446.577 1.736 30 10 IDEE C=CCn1c(COCC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749642662 ZTHDZLAKIXISOU-ILXRZTDVSA-N 441.554 1.127 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1 1749652320 LJIJUCRQFFJHSP-CABCVRRESA-N 430.484 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749729695 OPXFFQNOHKIHSH-QGZVFWFLSA-N 441.561 1.743 30 10 IDEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1750389531 AYJVCFBFVJWNTA-UHFFFAOYSA-N 425.493 1.597 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187450 JTHDISDUFCBARZ-QGLXBCBXSA-N 436.578 1.614 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1760259586 NSHUYYDABIRUKP-MJGOQNOKSA-N 445.564 1.878 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1760294886 IYMFCSQKGLADON-XMSQKQJNSA-N 441.557 1.580 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760306622 GWJMEOFFMWDGHH-AWEZNQCLSA-N 437.342 1.587 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760348621 FEQSQELOXXVBLQ-MRXNPFEDSA-N 425.555 1.120 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1760389560 NGAOSIUPVKCDSI-MRXNPFEDSA-N 436.538 1.436 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCc2cccs2)CC1 1760522477 UORSZKBXYKIBBL-QGZVFWFLSA-N 430.578 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(F)(F)F)CC1 1760524225 SGXXURHJNKJKEX-HNNXBMFYSA-N 430.475 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H]1c1nncn1C 1760552391 MBQUFNXFUVLFPR-MRXNPFEDSA-N 430.538 1.354 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(c2ccncc2)CC1 1761237964 FQXWDBQHGGOKNO-LJQANCHMSA-N 438.536 1.457 30 10 IDEE CCCCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764202594 HEULXCBJGPQPKD-GOSISDBHSA-N 439.520 1.971 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1767729758 ZVXSGCBZBXNACM-GOSISDBHSA-N 440.435 1.460 30 10 IDEE COCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1769347708 FPZFAKLXSRCOOD-LIRRHRJNSA-N 436.513 1.525 30 10 IDEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1770806585 BPMLRBVNGNXEQR-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cnccn2)nnc1N1CCC(F)(F)CC1 1771564876 XXSCQDJNLPADOS-BMRADRMJSA-N 430.419 1.497 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1772566614 LRDRMTDSQPYIMF-HUUCEWRRSA-N 429.550 1.680 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@@H]4[C@H](COCC(=O)N4C)C3)n[nH]2)c1C 1849760838 GZUHBRRKPQYNDQ-QFBILLFUSA-N 426.521 1.785 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1 1851581857 NXFIDWKKHFTYEL-UHFFFAOYSA-N 443.529 1.183 30 10 IDEE CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1852450253 JGCQJDCGBNFATB-FQEVSTJZSA-N 446.573 1.148 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cc(F)cc(F)c1 1856264198 QZWWWJSOOJRHJV-GFCCVEGCSA-N 434.424 1.434 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)CC1=O 1856802471 HRJGJSPKSSZKGY-ROUUACIJSA-N 434.514 1.448 30 10 IDEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862593202 QCILNAGQEGUHLO-LJQANCHMSA-N 438.436 1.893 30 10 IDEE CCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN1CCOCC1 1870348417 XNGRAHKOVGJHKV-UHFFFAOYSA-N 440.544 1.445 30 10 IDEE O=c1c(Br)c(N/N=C/c2ccc(O)cc2)cnn1[C@H]1CCS(=O)(=O)C1 1873527261 RPGXXVNFALYVPI-MIUNIBSDSA-N 427.280 1.517 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(F)cc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873594253 PTYKDZRDWZQDCY-UHFFFAOYSA-N 438.507 1.801 30 10 IDEE 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C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1300394156 MPKUEGVZNGCKCW-MRXNPFEDSA-N 442.549 1.594 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1300491290 GIOWZYTZYQVKPS-AEFFLSMTSA-N 445.520 1.352 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1 1300558786 BUKVSWQCMKUWPM-INIZCTEOSA-N 432.322 1.924 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1300603691 WWMFFWMSFOGYRR-OFNKIYASSA-N 432.613 1.804 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNC(C)=O)CC1 1300683527 PDIZXLQRQFBMKG-QGZVFWFLSA-N 428.512 1.839 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(CC)C2CC2)CC1 1300708263 PWTPHSVIBHBLRF-UHFFFAOYSA-N 433.560 1.968 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCC(C)CC2)CC1 1300719686 LTCJYLFLLDNJMY-UHFFFAOYSA-N 436.564 1.433 30 10 IDEE COC[C@H](F)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1301067419 LIFIJHQNFDCAJP-IAGOWNOFSA-N 430.488 1.165 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOCCS(C)(=O)=O)CC1 1301069806 GCMCTGYQPVIWFZ-LJQANCHMSA-N 428.555 1.148 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CCC)C(=O)C1 1301503268 XJGZSTZADQNVGD-UHFFFAOYSA-N 446.502 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301585468 MABGZMWICBRARM-UHFFFAOYSA-N 427.534 1.350 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1302474475 BQPYQSIQKKHAFM-MAUKXSAKSA-N 438.554 1.654 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)CC1 1310847935 XBGJVKWEYQVMPK-CYBMUJFWSA-N 434.440 1.633 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1314805692 RYFYOAIVNWZGDX-SAZZCXPWSA-N 430.509 1.661 30 10 IDEE COC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1315800833 WCZQEHLAPGDRBK-SFHVURJKSA-N 436.520 1.538 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1315903832 BZFALDPNTZKBQO-ROUUACIJSA-N 444.561 1.571 30 10 IDEE COCCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1316051825 XWWIYJUITBMORD-IBGZPJMESA-N 442.520 1.609 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1316359385 GFZWJGKXEZXWNO-UHFFFAOYSA-N 443.533 1.408 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1358949220 VZQCLTFEISOELH-WOJBJXKFSA-N 427.574 1.914 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358954912 AOYJAYBSYNDVAR-MOPGFXCFSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358955999 YHDIBBQCTXKFAE-HZPDHXFCSA-N 433.534 1.328 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1358957538 VSXRRRIMNQDDMR-RDJZCZTQSA-N 442.607 1.243 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358959746 PDDYTLWMSKABQY-GOSISDBHSA-N 442.541 1.927 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCC(=O)N1CCOCC1 1358998054 OEXYFFLAUUGNKL-UHFFFAOYSA-N 439.491 1.708 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C 1359259283 QYGAQWBLNHVVOW-JUXOCIIHSA-N 446.573 1.913 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](N2CCCC2)C1 1359291287 KXAARIACIJHLMC-GOSISDBHSA-N 431.585 1.563 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359297864 FMTIKPYQXQQHJO-HNNXBMFYSA-N 426.550 1.915 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1359620138 LPHFNFVBLOCPGQ-UXHICEINSA-N 438.532 1.973 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1360834691 IRNJHFNMVMQHMI-UXHICEINSA-N 449.508 1.596 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)c1 1436604306 WTDRMOULLYBDOX-UHFFFAOYSA-N 432.483 1.573 30 10 IDEE CC(C)C#CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1440919164 SFMZELHFIMAYIY-UHFFFAOYSA-N 441.937 1.417 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)C1=O 1448522836 VLEIYKIIIHOUMV-UXXRCYHCSA-N 427.423 1.217 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)Cc3ccccc3F)CC2)cc1 1455845092 LSCLYJNIMAVJQH-LJQANCHMSA-N 445.516 1.818 30 10 IDEE O=C1C[C@@H](Cc2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cc2)C(=O)N1 1458001667 FLNNMRNSSHGOIJ-MRXNPFEDSA-N 435.436 1.410 30 10 IDEE C#CCOc1cccc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 1465628619 PTRUAWPZTIHELI-UHFFFAOYSA-N 434.440 1.681 30 10 IDEE Cn1nccc1[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1472147209 YLSLTHBAKYVCQN-GOSISDBHSA-N 445.545 1.619 30 10 IDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1492900800 BELFQUBFANZZEY-UHFFFAOYSA-N 440.571 1.950 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2ccc(F)cc2)C1 1505316871 BVDXZWLGHZSESR-HXUWFJFHSA-N 429.431 1.620 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCCO4)n3CCOCCCO)CC2)nc1 1505319271 UOFLHXDKEUOSJF-LJQANCHMSA-N 441.536 1.512 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1507523832 QEVYFOVBODPKNF-RDCVWBNRSA-N 425.880 1.978 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507583063 NINVORGCWJWRFW-HNNXBMFYSA-N 448.549 1.185 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC)c2)CC1 1507731716 AXMLQPLZJNOEBR-UHFFFAOYSA-N 435.532 1.886 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)CC1 1507738997 KJKSUOWGQVAPRM-HXUWFJFHSA-N 442.564 1.006 30 10 IDEE C=C(C)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OCC)CCOC1 1507836595 RNBUTVDOBFYTQY-QFIPXVFZSA-N 440.552 1.747 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507873423 KISMAIKMYMZVPT-ZNMIVQPWSA-N 433.962 1.273 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508075132 VCIMTZJRFUGIJE-INIZCTEOSA-N 437.953 1.914 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 1508078067 SSKHEYUVXRPTEY-UHFFFAOYSA-N 433.310 1.288 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)OC)C1 1508106424 YCLRNVQPXLYSBM-IAGOWNOFSA-N 425.489 1.842 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCOCC2)C1 1508132445 UQAMCKUPFIPCRK-FQEVSTJZSA-N 429.569 1.643 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1508135050 DKLGSFVJDGEKLB-UHFFFAOYSA-N 440.529 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccco1 1508145970 RZSZQJUSXGSNDJ-LSDHHAIUSA-N 442.563 1.571 30 10 IDEE Cc1cccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511127690 FGBIUXCMWFWPDV-YGCDDZCOSA-N 437.504 1.790 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513422659 FGEYHVNZYGIZEO-JPUDBKAVSA-N 447.515 1.517 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(C)(=O)=O)c2ccccc2c1=O 1515942277 CIZJRYYQKBWBFH-AWEZNQCLSA-N 443.533 1.458 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)C1 1521063495 RXZBNOURYZLKPA-PXNSSMCTSA-N 433.509 1.839 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1539251565 JCDUBILEEONUEV-UHFFFAOYSA-N 448.571 1.815 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539344679 GUNMFVCBCXMORC-OAQYLSRUSA-N 447.561 1.346 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1539427659 GJKNYADCIZVXSI-QUCCMNQESA-N 437.548 1.742 30 10 IDEE C=C(C)Cn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1539723710 YKUJWSRHPDJKLB-QFIPXVFZSA-N 443.552 1.940 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 1540865738 QJFRDYIRLCYFOZ-UHFFFAOYSA-N 433.310 1.336 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC 1546587028 BWSLAFWWRZMJCO-KRWDZBQOSA-N 439.520 1.216 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1 1555318143 AHCWHYLUSYXKQC-UHFFFAOYSA-N 436.516 1.849 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1555553204 MUCVGQSMXCSRDP-UHFFFAOYSA-N 438.532 1.962 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3c(CC(N)=O)cccc3C2)CC1 1560062099 CASDARQGXMQFCI-QHCPKHFHSA-N 449.530 1.621 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1569724824 GXWALCPACBAKES-HXUWFJFHSA-N 447.557 1.679 30 10 IDEE N#Cc1cn(CCC(=O)Nc2ccc(F)cc2I)c(=O)nc1O 1587475291 QLMFJNOWSOIDHJ-UHFFFAOYSA-N 428.161 1.593 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1587662141 LHOLLAYBMVTZPL-OKZBNKHCSA-N 448.593 1.063 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1587798353 HZUOTZCSJADLGE-HKBOAZHASA-N 431.581 1.964 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2CCCC2)n1 1588723472 NLLMHERAFZLUGW-IBGZPJMESA-N 425.537 1.902 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1594961560 CGBASBWKXRDMOA-HOTGVXAUSA-N 427.571 1.963 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1595094768 YKUNWUXSWHBYEQ-WMZHIEFXSA-N 435.532 1.360 30 10 IDEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595229612 VAELQXDFZODNDS-NRFANRHFSA-N 443.529 1.457 30 10 IDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1595398337 AEIHSYMQWFIDFL-OAHLLOKOSA-N 438.579 1.982 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1595522266 AVMLWKBLDCDBNS-SJLPKXTDSA-N 441.536 1.010 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595562112 NTPLUNCZMOPPLY-GOSISDBHSA-N 441.561 1.643 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2c(cccc2OC)C1 1595784498 GYGBIRSZEQYJSP-UHFFFAOYSA-N 442.545 1.851 30 10 IDEE CC1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1612865372 LDUQWLSMCXTBSF-LJQANCHMSA-N 429.569 1.755 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCOCC1(C)C 1614028498 GDPAZCZWJHATRF-QGZVFWFLSA-N 439.568 1.328 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1616215719 RMIINRWWHRWYNW-NHCUHLMSSA-N 434.516 1.679 30 10 IDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(n2cnc(C(N)=O)c2N)CC1 1617900552 CBYSEAGOUBJMOI-CQSZACIVSA-N 427.484 1.676 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1620020445 YEAZWWWBZFWLRE-PRULCUDISA-N 436.582 1.090 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)CC1 1626966516 FRQHIQHDYMGRRV-UHFFFAOYSA-N 446.486 1.581 30 10 IDEE C#CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1629274212 BZIHVZFOKDBQSZ-UHFFFAOYSA-N 428.510 1.774 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 1629382673 FBLPSUAKIKGERP-JMERFSKESA-N 428.917 1.859 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 1634569039 JUEPNWBBBHXAIH-GOSISDBHSA-N 429.912 1.631 30 10 IDEE N#Cc1cncc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1 1635325811 JJGXKAKUYKNBBI-MRXNPFEDSA-N 426.454 1.207 30 10 IDEE Cc1cc(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)c(C)n1-c1ccc(C#N)cc1 1636149734 WCFNVZPQUFNVSB-KRWDZBQOSA-N 432.484 1.774 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 1636480851 XPNCKGXFQWBZOM-UHFFFAOYSA-N 436.534 1.188 30 10 IDEE CC1(C)C(=O)N[C@H]1C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1641283307 PJQMTPSSCGVAMY-HKUYNNGSSA-N 437.500 1.526 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OCC 1642682998 JXHAJFIXIDVPFU-QGZVFWFLSA-N 444.937 1.636 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1649674523 ASFOIRGQQWITCR-KRWDZBQOSA-N 437.548 1.500 30 10 IDEE CCCc1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccccc1Cl 1653760105 QUGUPNPJNPULAO-UHFFFAOYSA-N 439.863 1.704 30 10 IDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1654098172 YDHZHCFXEVQLAP-RDTXWAMCSA-N 443.495 1.457 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1Br 1666710160 AGMCOUDTBNURCU-CQSZACIVSA-N 426.267 1.835 30 10 IDEE C[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H](C)N1CCOCC1 1678488204 CUHACWSZZARDEF-ROUUACIJSA-N 437.548 1.889 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)NCC(=O)NCC#N)C1 1682186314 SAPXQDSCLAANIG-IAGOWNOFSA-N 433.484 1.858 30 10 IDEE CC(C)(C)OC(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCOCC1 1682225786 STMNMSJNNMMHEN-UHFFFAOYSA-N 429.521 1.923 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)c1 1683532918 MIYHWKAPXTWHAA-OAQYLSRUSA-N 432.546 1.122 30 10 IDEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1684145946 IEIGBVWBDROVMD-UHFFFAOYSA-N 436.534 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1689852021 YRBOBRPFFDQSEP-DOTOQJQBSA-N 448.545 1.066 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1689966605 WULQNOIYWQDHMC-DLBZAZTESA-N 427.530 1.303 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689991286 ZJEBCNBIOSDPLQ-AQNXPRMDSA-N 449.621 1.529 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1690103302 BVDYIWDIIHSMOG-GCJKJVERSA-N 425.489 1.355 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1690106062 IZBZPJHNLBCGSY-LJQANCHMSA-N 430.597 1.997 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(Br)n2)CC1 1690120464 VYRNCOCJFNDWNV-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2cccc(C)c2)CC1 1690129287 UEFRTFOFFXTOAQ-UHFFFAOYSA-N 443.555 1.758 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(C)COCCO2)CC1 1690139289 GODPRVTWHIYTAN-JOCHJYFZSA-N 427.505 1.618 30 10 IDEE CC1(C)C[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1692856370 BLSUVONHYANUMZ-IAGOWNOFSA-N 436.582 1.787 30 10 IDEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)C1CCC1 1695528845 BKZXAKIPJWIQBX-ZJYNUGOYSA-N 443.552 1.958 30 10 IDEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCN(C)C2)cc(OC)c1OC 1697243833 DYZQLOOHRJMHIC-IVZQSRNASA-N 444.536 1.776 30 10 IDEE COCCCN(C)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697989158 SKWUKEDHOCGWLK-UHFFFAOYSA-N 449.519 1.238 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1705495880 XCSBATNOPBISKK-QUCCMNQESA-N 445.589 1.928 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCC(=O)N(C)C)c1 1705506597 BZEIPOJHTIGKNB-SFHVURJKSA-N 438.532 1.707 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1705526449 KCFMFLWCLIAAJQ-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705545300 VQNUUOGZGTZNLP-QZTJIDSGSA-N 445.589 1.917 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705569984 LODKUBUPHPCOLZ-MSOLQXFVSA-N 447.586 1.606 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2cn[nH]c2)CC1 1705646421 FHPMXZJVYDHBFP-UHFFFAOYSA-N 448.487 1.785 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SC)C1 1705651655 FBFWBRAMDYVUFN-HUUCEWRRSA-N 431.653 1.977 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1705653888 RXZRISCBKWFJRO-NEPJUHHUSA-N 441.501 1.022 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705740080 AWNJWTTVIVVKHW-UWJYYQICSA-N 435.525 1.552 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC)[C@H](C)C1 1705907607 RPOBPDZPMZYBBE-GOSISDBHSA-N 426.565 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705930018 CXTVPMMVRQHNJN-QGZVFWFLSA-N 425.599 1.991 30 10 IDEE CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1710527757 BHZJMGUSQQHFNO-QGZVFWFLSA-N 440.504 1.698 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1711425046 GIUVTRYAOFXRMM-GOSISDBHSA-N 448.549 1.139 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCN(C(C)C)CC1 1722299310 OHLWLZBWGZRXKY-KRWDZBQOSA-N 444.605 1.963 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1722330220 QAPDFSNMHUKRKG-HXUWFJFHSA-N 447.543 1.710 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1722357789 AJMUDNFGKDFVEV-ROUUACIJSA-N 449.577 1.168 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1722427685 XYADCVPICQGBNX-UHFFFAOYSA-N 429.496 1.376 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722453940 DWAHUCGYDXIYBS-MRXNPFEDSA-N 448.570 1.706 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722476614 CJCJSXHLTLQDMJ-GOSISDBHSA-N 441.374 1.626 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1722507531 PRDNKGPYOXFYAA-GGPKGHCWSA-N 446.596 1.757 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722522324 JGWAEMRTTGWGKP-LJQANCHMSA-N 443.596 1.718 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1)C1CC1 1722650580 FTWJWBJOYXZWBO-INIZCTEOSA-N 437.566 1.813 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722700967 ASCFKKLKOYZYHM-IEBWSBKVSA-N 438.532 1.089 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](OC)C1 1722728229 SRMPQHYDRREBBJ-LJQANCHMSA-N 442.545 1.957 30 10 IDEE CC(=O)N1CCN(CCn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1722798797 HPRMNRKDNSNEOG-AVRDEDQJSA-N 447.584 1.079 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1722865009 CLRBLEBEYYNEBX-HNNXBMFYSA-N 441.517 1.813 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1723042057 JBNCNACBTCUPCS-OAQYLSRUSA-N 426.477 1.531 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1728676020 JMKFOYWTNQHIJT-JOCHJYFZSA-N 439.520 1.474 30 10 IDEE COCC1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1730577594 YYSHZGLBNSVBSG-BWVDKLOVSA-N 444.536 1.909 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C(=O)OC)CC1 1730875729 MCELWSYGULLESC-RDJZCZTQSA-N 436.513 1.209 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740571907 WBWVPBDUONQKJZ-KRWDZBQOSA-N 438.536 1.466 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCNc1nccc(C(F)(F)F)n1 1740637278 WKTPEDSYFPFJAA-UHFFFAOYSA-N 429.410 1.672 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)CCOC 1740653839 ZNEMMZAKYGXGSI-HSZRJFAPSA-N 434.500 1.844 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740683799 FYVNRFHRFFVZNI-UHFFFAOYSA-N 436.560 1.980 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1740684716 ZQCWHFGKANJORS-IBGZPJMESA-N 433.516 1.764 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)N(C)C)CC1 1740691874 PDGAXBBHZITPPQ-UHFFFAOYSA-N 436.969 1.245 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740722605 KAKRMDHCDCGHMC-UHFFFAOYSA-N 434.610 1.316 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1740950634 BHWRZBHVJZLWJD-UHFFFAOYSA-N 443.596 1.517 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1740962993 WBWZCCNIRKUPPW-UHFFFAOYSA-N 426.521 1.307 30 10 IDEE C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1741855997 LXHNAFKTWIBDJN-IKGGRYGDSA-N 449.556 1.265 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1745947356 GTGBDGJPCWJELT-SFHVURJKSA-N 444.561 1.699 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCNC(C)=O 1748680924 YWLMDUUSKFPDGJ-FQEVSTJZSA-N 437.592 1.627 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 1748694585 JQCDRFBVHGZWAG-KRWDZBQOSA-N 444.561 1.178 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2ccnc2C)nc1)[C@H]1CCS(=O)(=O)C1 1748817121 FQZOAPOEEYPJIA-SFHVURJKSA-N 439.545 1.405 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(F)(F)F)CC1 1748979927 SSOIWRYXDYTLOM-UHFFFAOYSA-N 427.452 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cnccc2OC)CC1 1749010708 VRUWYONFTYVIPK-HXUWFJFHSA-N 438.532 1.937 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)C(=O)C1 1749119344 QIEDIWNLMBJKFW-QKLQHJQFSA-N 433.553 1.794 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1749194243 YMRWLMDVIKTHHX-ZWKOTPCHSA-N 441.598 1.625 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1749412158 KNOKWPYKNKDELR-AWEZNQCLSA-N 438.533 1.110 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749650705 FRNADXBSHWRNPH-UHFFFAOYSA-N 449.003 1.975 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749659700 HZJGZCKJJBSNEK-QRTHJKPMSA-N 441.532 1.862 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)CCN1CCOC(C)(C)C1 1749676679 YYJMCALMCBZNCB-UHFFFAOYSA-N 432.594 1.780 30 10 IDEE COCCN1C[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)CC1=O 1749867287 YVXRCFMRCZMHHB-BJLQDIEVSA-N 446.552 1.237 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750449557 RWGGQCZQHACPEM-RUNIHZNKSA-N 438.536 1.279 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1750923776 GGLSGQZYXSFQFT-BTYIYWSLSA-N 428.493 1.704 30 10 IDEE C[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)COCCO1 1751300834 BSUKQRHHYKWETB-NRFANRHFSA-N 425.493 1.861 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@H]1C 1751985209 AZVWRXISFDJPAW-QZMQVMSPSA-N 438.532 1.947 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC(C)(C)O1 1752311398 AEUYJNIDAUWWON-OAHLLOKOSA-N 434.504 1.974 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1752353006 VLPJUFVIHMIADM-YUMLTWSLSA-N 430.509 1.314 30 10 IDEE C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1752384742 QKJAHXFBMVYIMD-KTVWJZFRSA-N 436.516 1.815 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1760111536 OJRTZRQIUQRUTC-CQSZACIVSA-N 428.518 1.177 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1760144193 HLURTZLLXMSKSG-UHFFFAOYSA-N 440.523 1.860 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1760185536 YXECALJDGVLTSX-FQEVSTJZSA-N 449.540 1.730 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC=C 1760233084 QNFZVCFXHNAWBP-UHFFFAOYSA-N 426.502 1.654 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@@H]2C)n1 1760251479 BDQQKXMPMXBXGO-LZLYRXPVSA-N 432.550 1.244 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1760261350 KCLNVDPSUJJKRH-GBESFXJTSA-N 435.594 1.141 30 10 IDEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760285816 RSGLIAVUIVITBO-QGZVFWFLSA-N 449.964 1.828 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760358564 WPVYZDDSXRPLEY-IRXDYDNUSA-N 427.571 1.283 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760373765 BQRVVLGYIJLGGV-HZPDHXFCSA-N 444.001 1.921 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2ccco2)C1 1760550159 TYIMASHBHASSND-GOSISDBHSA-N 439.520 1.944 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC)CC1 1760555446 FZFQKDVXSRTJIL-OAHLLOKOSA-N 427.527 1.009 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760559332 MTESPNXOIQCMHR-SFHVURJKSA-N 427.596 1.351 30 10 IDEE Cc1nc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)oc1C 1761598706 GDDUSLKVQRTUMP-UHFFFAOYSA-N 448.531 1.832 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1764568417 GUKXFNWPNAJJMB-UHFFFAOYSA-N 444.561 1.746 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1766702297 QTQVEVJODQTTPV-FXAWDEMLSA-N 438.598 1.974 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCOCC1 1767342515 ZDDSAODRSQENNG-UHFFFAOYSA-N 447.561 1.619 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CCO1 1767707230 HGQAKHISIBLAKL-FDDCHVKYSA-N 438.532 1.709 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1769056319 HYIBERYSZWCYQR-NRFANRHFSA-N 437.548 1.596 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1770788925 SBYVDMGZSROQIJ-QGZVFWFLSA-N 436.513 1.273 30 10 IDEE COC(=O)[C@@H]1[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1772794865 ZCCSUMOGDJBJSR-LVQVYYBASA-N 444.440 1.928 30 10 IDEE C=CCN(C(=O)Cn1nc(-c2cc(OC)ccc2OC)ccc1=O)[C@H]1CCN(C)C1=O 1849756128 MFDZMJLUHXRNJL-SFHVURJKSA-N 426.473 1.173 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@H](COc2ccccc2C#N)OC(=O)[C@H]2CN(C)C=N2)cc1 1851918750 XIYGFHMHPLAQSZ-AZUAARDMSA-N 441.509 1.974 30 10 IDEE C=CCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)CC1 1852653149 FSTJYQDUSLSBGX-QFIPXVFZSA-N 443.569 1.915 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)N=C(NOCCN1CCCC1)c1cccn1C 1853531711 HEKYUTFNCINIEV-UHFFFAOYSA-N 448.545 1.873 30 10 IDEE CC(=O)Nc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCNC=O)C2=O)cc1 1863187410 OPOBGXOYPWOJRX-UHFFFAOYSA-N 431.452 1.845 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1870098034 JYYKDQPPLHFKCM-UHFFFAOYSA-N 430.402 1.865 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870547024 BOGUJGKZGKWYEE-NSHGMRRFSA-N 433.549 1.660 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874338517 SSONQPKQUKGBHC-OOMAIKSQSA-N 430.490 1.160 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[C@H](C#N)C1 2022831993 ZMYHWEKMQYZIFI-XHSDSOJGSA-N 438.525 1.576 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2131511076 SDNMBZJNWVGPDJ-QGZVFWFLSA-N 448.369 1.778 30 10 IDEE CON(CCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243389987 NJWOIDYUNVQBSL-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416346 QRURYSCYHCHGBP-QJPTWQEYSA-N 438.359 1.747 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2255599439 AUFCPUPJSIUSCI-LJQANCHMSA-N 425.338 1.945 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619677 RIVLTNOGZNFOCU-MNOVXSKESA-N 430.236 1.381 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255819161 XADRKRNITCMOER-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)[C@@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255830224 BSZHTWCRZURHSM-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256068333 ZXZHZRBRGNNRIH-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256615084 RADYNGILLKUXHS-KRWDZBQOSA-N 434.342 1.830 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)[C@H]1OC 2260809444 RUHGPZFRWXBKHE-QCWRDMELSA-N 440.346 1.940 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267008687 IKMICVXZJRRBCH-GOEBONIOSA-N 446.357 1.801 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267131980 KDSPONLATJXZKH-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267880287 AALZRCYJXAVJHS-FPTDNZKUSA-N 444.341 1.905 30 10 IDEE C[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2315533422 YBQZEAGLQNJJGJ-UONOGXRCSA-N 434.346 1.847 30 10 IDEE CC(C)[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2315601389 DBBCNOMGVMOWCD-CQSZACIVSA-N 436.362 1.998 30 10 IDEE CCOc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329013001 AGBAKGNXYDFPDD-HNNXBMFYSA-N 430.534 1.861 30 10 IDEE CCOc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329013002 AGBAKGNXYDFPDD-OAHLLOKOSA-N 430.534 1.861 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1C 2337187799 JJKPOXGGYAYNTA-HUUCEWRRSA-N 448.373 1.918 30 10 IDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2367800702 LUWWWMVUAMPPIE-SBHAEUEKSA-N 434.558 1.971 30 10 IDEE O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 59500552 FDLYAQYCUHZUEZ-LDADJPATSA-N 435.418 1.652 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)CC1 431160557 LJSJSNRBRQRIFS-UHFFFAOYSA-N 433.574 1.528 30 10 IDEE CCO[C@@H]1C[C@](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)(C(=O)OC)C1(C)C 440875203 MOJHJFDLBCTMTF-OWZDWXTDSA-N 437.518 1.088 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 460767515 FUIJNDJOWQXAFU-OAHLLOKOSA-N 445.549 1.932 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 460802738 LBXPGJXKXAUNRV-LPHOPBHVSA-N 427.571 1.583 30 10 IDEE N#CCN1CCC(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 464984216 ILMRQYQXORYCQD-UHFFFAOYSA-N 433.306 1.787 30 10 IDEE COc1cc(CC2CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc(OC)c1 482841218 GGBCHOKZPYAJIW-OAHLLOKOSA-N 443.525 1.943 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)CC1 499721507 VEJWIEKPGJYLMU-UHFFFAOYSA-N 425.508 1.869 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 508885464 PXIFEOGXYHQEEW-KRWDZBQOSA-N 435.506 1.162 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCC(NS(=O)(=O)c3cccs3)CC2)c1 513783546 AHPKMMTXRHTFBU-UHFFFAOYSA-N 439.584 1.836 30 10 IDEE C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513789796 NSGNZCPNEMXDIE-HXUWFJFHSA-N 427.438 1.528 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 514654459 HOUHGJWSKDSPEV-GFCCVEGCSA-N 438.336 1.645 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C1CCN(C)CC1 517990425 XQQGLOTWYVKOEV-UHFFFAOYSA-N 440.569 1.051 30 10 IDEE CC(CN1CCN(c2ncccc2C#N)CC1)CN1CCN(c2ncccc2C#N)CC1 519673468 VCMVGMVRIPHQRU-UHFFFAOYSA-N 430.560 1.800 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3)c2=O)c1 539597341 ONKDGYGTIHIIEE-UHFFFAOYSA-N 434.521 1.639 30 10 IDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 549705737 NRGVJFNHWJOMLD-HNNXBMFYSA-N 428.522 1.368 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)cc2)c1N 554830935 TVELMSNNFHGIMN-GOSISDBHSA-N 430.468 1.736 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCOC3)CC2)c1C#N 574535914 ZMYAYQOUWLNFQH-GOSISDBHSA-N 447.547 1.541 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cc(Br)cn2C)n1C 583231800 PBULYILCFRPWAH-GFCCVEGCSA-N 442.325 1.960 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccccc1C#N 604002796 ZVVMRUTUVJSYNG-UHFFFAOYSA-N 426.501 1.884 30 10 IDEE CCC[C@@H]1O[C@H]2C[C@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 616582549 JBVVDXJXIDYDMF-AGJBZDMISA-N 446.540 1.688 30 10 IDEE in-vitro C=CCOCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 679552978 YEUQXSFJSIOXMI-UHFFFAOYSA-N 438.550 1.632 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCn4cc(C)nc4C3)nnc12 679908770 ZCXLDDIWNONOQS-UHFFFAOYSA-N 435.513 1.870 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cccc(C#CCCO)c1F 703988775 FHOANFNGDFFMKR-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccnc(C)n2)cn1 730143660 BQRYSTPNUHWOTH-QGZVFWFLSA-N 444.565 1.201 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccco2)C1=O 730143753 DNCYWRVXTFVYQY-YQMDHOPXSA-N 429.546 1.785 30 10 IDEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732153811 KREFQZCURIZWGV-LSDHQDQOSA-N 439.516 1.593 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cn2)c1=O 733788535 RZZXNPFVXYWSRX-UHFFFAOYSA-N 448.342 1.586 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)C[C@@H](C)O1 746151677 ABBJAXGZMUTQJI-MUDLRCDJSA-N 426.473 1.791 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 746154790 PYTWUYPJADHESQ-MRCUWXFGSA-N 446.891 1.306 30 10 IDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748775769 XKOISIQBKZQQEG-HNNXBMFYSA-N 434.562 1.515 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1 756113846 LOBQAFIHZDBACW-FKNXBIFSSA-N 449.577 1.828 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1C[C@@H]1CCCO1 760378664 SOBAOXBRJLZVBS-HNNXBMFYSA-N 444.944 1.251 30 10 IDEE COC(=O)C1=C(CN2CCN(c3cccc(C#N)n3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1 760912677 DHWPBOLBWZJVSK-JOCHJYFZSA-N 446.511 1.899 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)c1cc(C#N)ccc1C)CC2 760996145 UXYJREZBTAODGY-UHFFFAOYSA-N 429.498 1.747 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 918986189 IVXQPBVUAMNTBZ-AWEZNQCLSA-N 447.435 1.836 30 10 IDEE C[C@@H](Sc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1)C(N)=O 1126877287 JHRQVHCTOBJENG-YPMHNXCESA-N 439.563 1.623 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)ccc1F 1130631056 IZNKNJWKXBKAGF-XUWXXGDYSA-N 442.509 1.767 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1136583467 WGBRDCNTTVTYHI-JTSKRJEESA-N 429.521 1.799 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)s1 1141459365 KFXQGVJBZBZUIZ-CYBMUJFWSA-N 437.518 1.816 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)ccc1F 1151360527 ZFXNPPCBMJJAKY-MRXNPFEDSA-N 445.476 1.828 30 10 IDEE C#C[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1 1159762828 QDCXWDTXWUEEFT-CQSZACIVSA-N 437.315 1.998 30 10 IDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1175390860 UFLJJULDLNJJFZ-PXNSSMCTSA-N 436.553 1.656 30 10 IDEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)nn1 1183734963 ZESUDFZJIMKISP-UHFFFAOYSA-N 442.501 1.276 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)C(=O)OC 1211664578 OODPBKYVFBKJEZ-GOSISDBHSA-N 430.486 1.751 30 10 IDEE Cc1noc([C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)C)n1 1251695884 JCSQXZRVWXDUAI-QGZVFWFLSA-N 432.506 1.663 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286279218 KMLAGVGRABPPAU-GUYCJALGSA-N 426.477 1.408 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286323157 GJHGZMUYLXUPLY-ROUUACIJSA-N 427.553 1.615 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(N)=O)nc1 1286451982 GFZDLALWOHQCSB-UHFFFAOYSA-N 449.490 1.737 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1286486258 KAVVKHXXFYDESK-JPYJTQIMSA-N 429.565 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)CC1 1286487909 RMSALVCHDVWPPE-UHFFFAOYSA-N 449.559 1.361 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286638227 XIIPJSFUDJGITK-KSZLIROESA-N 440.614 1.544 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn2ccccc12 1286773766 RQIFCMIWGRSTFP-INIZCTEOSA-N 430.534 1.515 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn2ccccc12 1286773767 RQIFCMIWGRSTFP-MRXNPFEDSA-N 430.534 1.515 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286778432 DKDGUGAJZHDPMP-BBWFWOEESA-N 437.541 1.918 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286789157 BQYYIXUCLNCDHN-MRXNPFEDSA-N 432.550 1.948 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ncn(C)n2)C1 1286802644 AGKAVXCFNHPKPJ-MRXNPFEDSA-N 425.493 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccn1 1286819708 SXFMJBFEUKBTPU-UHFFFAOYSA-N 444.517 1.638 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1286959307 FHKWAQUZBCJJKD-SJORKVTESA-N 449.519 1.922 30 10 IDEE C[C@@H](Sc1ncccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)N1CCCC1 1289201868 SCSZVMFXDPEGKP-SIFCLUCFSA-N 448.570 1.195 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300267901 MBNNZJREUFSXGV-IAGOWNOFSA-N 437.552 1.473 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1300274525 XMLFIGWLWVNXPN-JENIJYKNSA-N 432.594 1.958 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCC(C)C 1300309468 HGSVZEGQEIWGMF-SJORKVTESA-N 427.571 1.132 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1300431083 SOCNFPOIDDNTRJ-XJKSGUPXSA-N 440.520 1.539 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1300862590 AQVYLUQFCPWNDN-HBFSDRIKSA-N 444.580 1.990 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1300914784 GUBUTFNJWSRVTA-HNNXBMFYSA-N 440.595 1.713 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1302100268 XVQYYZDDGVUNSZ-IPMKNSEASA-N 436.557 1.232 30 10 IDEE N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCCO)CCO1 1303003326 FLPKTGVWLHHTEX-LJQANCHMSA-N 440.552 1.734 30 10 IDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1303112400 VDWBAXYOFPQALB-CQSZACIVSA-N 433.324 1.742 30 10 IDEE Cc1nsc(N2CCN(C(=O)NC3CCN(CC(=O)OC(C)(C)C)CC3)CC2)c1C#N 1313164296 YOIZHDBNZHAWRT-UHFFFAOYSA-N 448.593 1.961 30 10 IDEE CN(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1314652109 CZNTWKWBJFNIIR-HOTGVXAUSA-N 429.550 1.339 30 10 IDEE CN(Cc1cscn1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1314771459 PUHGIQLJWFIVOV-UHFFFAOYSA-N 431.547 1.849 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C[C@@H]1C 1315119078 WFVCFVZITFWSJO-INIZCTEOSA-N 440.504 1.635 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(C)=O)CC1 1316263089 HHCHNRWXLREKPM-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1316500906 PRUXDFPZHNKXTC-NRPVIZNNSA-N 430.509 1.312 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1318391871 XCMWYUIUMFVSHH-HTXNQAPBSA-N 435.465 1.679 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(F)F)c1 1358949134 SXRUITVQZZLMAU-INIZCTEOSA-N 439.488 1.666 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358962988 ABXCVAHVPKREGS-MSOLQXFVSA-N 435.594 1.283 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1359018467 QYRWUOIKDQSPGG-GOSISDBHSA-N 441.536 1.001 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359059911 FCSFJMNONPGNNR-LJQANCHMSA-N 446.621 1.316 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2)CC1 1359165451 PBIYMUAVSILZRH-CVEARBPZSA-N 427.596 1.521 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C(C)=O)CC2)CC1 1359181612 ZMFBMGFZSUIVCQ-UHFFFAOYSA-N 440.596 1.706 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1359736710 KGCCRSFLPBQLHM-BZROSYFNSA-N 441.536 1.552 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1360618529 DRCKCFLAUUBMCN-OAHLLOKOSA-N 444.561 1.745 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1441243594 XMXGGLWSUHIMOG-KRWDZBQOSA-N 438.569 1.962 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1450274972 XMNYJSBANOCABJ-IUODEOHRSA-N 442.285 1.937 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCS1(=O)=O 1456190787 OYCXOCJLLCFVTN-RLVYFCSOSA-N 425.551 1.855 30 10 IDEE Cc1cc2c(N3CC(NC(=O)C#CC4CCN(C(=O)OC(C)(C)C)CC4)C3)nccn2n1 1457244324 HFMUCWYSPWRGAR-UHFFFAOYSA-N 438.532 1.993 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OCC 1475577602 CHHZPKLPIITWBN-GOSISDBHSA-N 428.938 1.986 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)c1ccccc1 1507617693 YPTKFCCPDQGFNR-HKUYNNGSSA-N 431.562 1.874 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1507706406 LRZCFURZZPXUDK-HXUWFJFHSA-N 435.576 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)c2cc[nH]n2)CC1 1507735530 XRRVYKUHFBLKET-UHFFFAOYSA-N 446.515 1.064 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cc[nH]n1 1507762158 WEAKQRJRUCIRSY-RTWAWAEBSA-N 427.509 1.075 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507969035 ZRYKMFBHKYOPDK-SJORKVTESA-N 432.525 1.238 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OCC)CC1 1508078473 BIGKJWPYFNSTPX-UHFFFAOYSA-N 442.476 1.255 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1508082825 XIQRVNIMDNXSSI-SFHVURJKSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1508085252 FQEIFSTZICZSFL-MRXNPFEDSA-N 426.521 1.237 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508093832 CZIWXCXAMDGHQQ-CTNGQTDRSA-N 438.576 1.522 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(O)cc3C2)nnc1[C@]1(OCC)CCOC1 1508096694 BSVCOMUPXRCKIX-QFIPXVFZSA-N 427.505 1.501 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1508116036 DXTLSUXXEIINDT-VQTJNVASSA-N 429.569 1.817 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1508388710 ANHJMMPELAUWAJ-OAQYLSRUSA-N 448.531 1.753 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)cc1 1513654821 BUXGXNBMYFOXKY-ICSRJNTNSA-N 438.532 1.731 30 10 IDEE C[C@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1529448657 MBMWKYHXYJCHJH-CVEARBPZSA-N 436.534 1.787 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)C1=O 1536657288 HUYJPCKSGHVKKZ-HNNXBMFYSA-N 442.472 1.446 30 10 IDEE Cc1c(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1[N+](=O)[O-] 1538760624 DQNOWNCDJCWAJG-XHDPSFHLSA-N 428.264 1.676 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1539072705 UMZSINKLOKUTOS-GOSISDBHSA-N 449.581 1.175 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)COC)CC1 1539109437 PDHLRCARHCDCIO-UHFFFAOYSA-N 425.489 1.425 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1539124604 HAGAOAUILOOSDY-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)ccc1OC 1539179658 QUVQJYYBGGTPRX-LJQANCHMSA-N 447.561 1.240 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC(F)(F)F)c1 1539272810 CFJAEPZNXBYPBA-UHFFFAOYSA-N 446.433 1.858 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C)c(C)s1 1539395955 KFTSJARUTYGLHQ-CYBMUJFWSA-N 426.568 1.096 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1539626557 FHNOZPSDCXWLJD-ZWOKBUDYSA-N 430.553 1.563 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1539632212 QCXCIOULVBUDON-NUJGCVRESA-N 439.582 1.122 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@@H]1C 1540862497 CJJKOUBXAGMUSM-GJZGRUSLSA-N 432.550 1.314 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[C@H]1C 1544338264 DCACAWIVAAPNJN-ZOCZFRKYSA-N 429.546 1.849 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC(=O)N1C 1545059301 JHBJPATYNHRNOG-APWZRJJASA-N 440.504 1.201 30 10 IDEE C[C@@H]1CSCCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1545131166 IIPCIGXFYNTHMG-NZKCYVOASA-N 432.550 1.988 30 10 IDEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1555127923 HQFCLKBGZWKDQJ-UHFFFAOYSA-N 433.472 1.507 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1555637118 PDJXOIJXRXKCNY-WAOWUJCRSA-N 438.548 1.945 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@H]1CF 1555664548 OMQYCHSYJDLSDM-UIBIWLFHSA-N 444.515 1.909 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1555957259 INMCKRLRDBSSJT-HNNXBMFYSA-N 441.517 1.247 30 10 IDEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OC 1557939278 YOXVDZLYYLVLBN-AWEZNQCLSA-N 438.424 1.878 30 10 IDEE CCn1c(C)cc2[nH]nc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)c2c1=O 1559001310 OFNXMWLTUZRQPW-NSHDSACASA-N 442.501 1.509 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1559037935 QCJTYXSKFOCKGF-JKSUJKDBSA-N 436.534 1.646 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCCc4c(C#N)cccc43)CC2)cn1C 1585495930 VTWVJDXEAQTBTB-UHFFFAOYSA-N 427.530 1.980 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1587766094 OBTBMKQKJKCTDU-FUHWJXTLSA-N 432.550 1.295 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)C(=O)C1 1587834572 CHJMZSOXRIJYQT-UHFFFAOYSA-N 425.489 1.425 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 1588074474 NIUGHTNKUFNDPK-MRXNPFEDSA-N 432.502 1.218 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 1588199701 WCJKDVRELASUGU-UHFFFAOYSA-N 428.352 1.339 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCn2nc(C)nc2C1 1589306151 XTMUFWZPXWMFRU-LBPRGKRZSA-N 426.319 1.831 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)C1 1589567173 AZJKEQVXFHJDDN-KKSFZXQISA-N 427.505 1.783 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2cccnn2)CC1 1595577628 YZYXFNPEHNKGCH-UHFFFAOYSA-N 448.531 1.584 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNS(C)(=O)=O 1597132199 WLMJGNVJPPUIMU-UHFFFAOYSA-N 445.593 1.713 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613947058 QEPRRWYSABLTBQ-CQAQQOGRSA-N 428.415 1.523 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1619834285 GPNSMYJKCRIBFV-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE CCS(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1626285679 TYMUTFCEYMDAPW-NNLSSIJJSA-N 444.579 1.546 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1626364452 NQKRNOMBIHSGFF-GJGATLCTSA-N 442.578 1.754 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(N3CCOCC3)CCSC2)s1 1626674520 XMRJVLUMGVJZNL-GOSISDBHSA-N 445.632 1.079 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 1628751775 DEOUZJPAWQBXOU-NYSBEXSLSA-N 431.489 1.552 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1635607951 ZKPCPLTUAAFJGG-HOTGVXAUSA-N 432.864 1.954 30 10 IDEE Cn1[nH]c(C2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)nc1=N 1639466705 HNPWVIZHRKHMRN-JXORXQGFSA-N 443.552 1.721 30 10 IDEE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c(OC)c1 1642103696 HEWBORJTONGBED-UHFFFAOYSA-N 444.513 1.203 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)s1 1643568356 QUHNDPKKVKLPKI-GASCZTMLSA-N 449.558 1.551 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2(S(N)(=O)=O)CCC2)C1 1644845631 BRDNBCMBYTUZDG-UHFFFAOYSA-N 427.324 1.084 30 10 IDEE Cc1nnc(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1Cc1ccccc1 1645267286 BSPCGANZZJHSOF-LPHOPBHVSA-N 431.543 1.124 30 10 IDEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1OC 1651911137 DWFSFYHSKQNUEI-UHFFFAOYSA-N 435.908 1.707 30 10 IDEE N#Cc1ccc([C@H]2CN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCO2)cc1 1655732706 DSKHKJHSEXSDFI-HSZRJFAPSA-N 448.523 1.720 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CCN1Cc1ccccc1 1675409631 LTJVMTJNPQMTCR-OAQYLSRUSA-N 446.511 1.658 30 10 IDEE C#CCN(C(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1676763338 HCHKQYAFJFCFKI-UHFFFAOYSA-N 442.582 1.455 30 10 IDEE C#C[C@@H](NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 1677377292 GMACSKJPEQKSLM-RTBURBONSA-N 435.366 1.829 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H](OC)c2ccccc2Cl)CC1 1680273147 NZNYIAARHVFZEB-YOEHRIQHSA-N 428.942 1.211 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1682436649 JDKZTPYKPWFWNR-KURKYZTESA-N 436.553 1.831 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 1686876056 WXXLNXKWFLFXKU-UXHICEINSA-N 441.532 1.626 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689986819 XOYGNHUMGGUFQD-RTBURBONSA-N 430.530 1.377 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689992132 IAGOSHPKYWYCPB-IEBWSBKVSA-N 429.546 1.317 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689992689 NVDNTEOMTKSRER-MOPGFXCFSA-N 435.594 1.362 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(C)C 1690000168 ULQZDZGAVLLTTJ-KRWDZBQOSA-N 429.546 1.797 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccn(C)n2)CC1 1690113821 VWFXPTDIKYOKGP-JOCHJYFZSA-N 427.553 1.050 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@@H]2COCCO2)CC1 1690142193 JVSBPCYYCJTCAJ-GOSISDBHSA-N 426.521 1.055 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](C)O)cc2)CC1 1690142624 RNMHIEGPOJVUNX-KRWDZBQOSA-N 445.527 1.803 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1690245866 NVSDCWIWTVCBRE-ULQDDVLXSA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690674284 VOSAYMDQFKPBDS-INIZCTEOSA-N 426.521 1.041 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1c(C)nn(C)c1C 1690725005 BFZDLTSVPGXCNE-UHFFFAOYSA-N 443.577 1.851 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1691476761 DCQCLOCHUWXYIL-SFHVURJKSA-N 444.561 1.602 30 10 IDEE CCc1nnc(N2CCN(C3CCC3)C[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694741708 WOIXWOPZCURIEV-JHBCHSCWSA-N 427.553 1.678 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1695938953 AIDPFBWVNGNPRA-UHFFFAOYSA-N 434.508 1.338 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1696524367 PLAWQWFMDSFXBG-UKPGIYTDSA-N 442.545 1.214 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1=O 1696886936 XERJLUQEAQFGGH-DEOSSOPVSA-N 449.559 1.990 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cc(C)on1 1698150320 GAAZJPPHKDUIGS-CQSZACIVSA-N 439.476 1.882 30 10 IDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1705567745 YVSFIKIAHXIPFR-GOSISDBHSA-N 443.577 1.489 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1705590915 ZKNVLXPJASFSOB-XMMPIXPASA-N 441.576 1.646 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705659898 IWQZRIZRYBOLHG-JKSUJKDBSA-N 427.596 1.404 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1705693864 LMXWWGNQVNTOMO-WCVJEAGWSA-N 429.612 1.811 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705727019 YCOFITDKYJPUQL-UHFFFAOYSA-N 429.594 1.954 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705897766 TVMRSXCCZDOSDN-GOSISDBHSA-N 445.612 1.665 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C)C2)cc1 1705910321 YXNQBNPBWJARSF-JKSUJKDBSA-N 435.550 1.727 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncccc2N(C)C)C1 1705929895 ZXWVGCRSTNFGJZ-KRWDZBQOSA-N 425.537 1.691 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705944161 WRDRVOVQRNBURH-OAHLLOKOSA-N 427.596 1.552 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCO 1706748529 JAOWBPAPMPMCBV-OAHLLOKOSA-N 425.493 1.329 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1710375090 CNECOQHHHJHVRN-GOSISDBHSA-N 435.492 1.823 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1COCCO1 1712626520 HPIXXACYUYWFLY-UFYCRDLUSA-N 427.505 1.926 30 10 IDEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1712827053 RONVPXYAFBQUMQ-HNNXBMFYSA-N 442.611 1.494 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1722334406 FUQITOFSVDTYPG-UHFFFAOYSA-N 431.562 1.809 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1722361539 OCTFCRWJSVMDBW-KRWDZBQOSA-N 446.602 1.016 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722367473 NLMBORFBDGRSMB-MOPGFXCFSA-N 435.594 1.285 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722369736 FMIYZKJJIMKGLN-PKOBYXMFSA-N 448.520 1.952 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1722424586 RYOQDHTUTIQEEC-QFIPXVFZSA-N 442.589 1.634 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC2)n1 1722429558 NKQOYOAKUKTHDM-RTBURBONSA-N 428.537 1.691 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C)c2)CC1 1722449857 RFIHRLOOBNFTSM-UHFFFAOYSA-N 448.571 1.917 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722464965 VLODLFDBZJYDFG-JKSUJKDBSA-N 427.596 1.262 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1n[nH]c(C)n1 1722647469 JVRQYFYMVVQUDP-UHFFFAOYSA-N 435.580 1.934 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(CCOC)c2)C1 1722708782 DATGFMXQMIFCSL-SFHVURJKSA-N 429.525 1.187 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2)C1 1722716622 WZBSCFZZFIICFC-SFHVURJKSA-N 442.545 1.912 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722725805 SODRFEXBBKYZFE-GOSISDBHSA-N 446.577 1.099 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1722781234 DBOYLTZSSOPVJI-UHFFFAOYSA-N 431.500 1.541 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722813535 CYPMNZZYGNCXGM-HYHOCUEZSA-N 449.515 1.576 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCOC1 1723618008 OOYRRMGJRLSVCP-KRWDZBQOSA-N 438.536 1.436 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cnnn2)c1 1724181142 BRNDWIXHAJOHFK-HXUWFJFHSA-N 425.472 1.993 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2ccco2)C1 1729739050 DUXRQZRLCNKKJG-SFHVURJKSA-N 442.501 1.537 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1730696492 CVPXBEOCLDZBQC-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)N(C)C 1730949359 ISCKIGFWCXVNOU-TXPKVOOTSA-N 440.570 1.024 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740622291 WVPDPEOTKTUHMW-INIZCTEOSA-N 428.518 1.563 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1740627980 UUXZNMIWTHGGSA-HOTGVXAUSA-N 428.505 1.844 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740750623 DQNTXODAYSERIE-WKULXVSPSA-N 441.598 1.731 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1740932287 LCFKEJKJUDMMPI-GOSISDBHSA-N 438.598 1.275 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740959320 RTPHHUUBMAGWEB-UHFFFAOYSA-N 442.421 1.060 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740961008 JDHZQTIDUBCYSA-INIZCTEOSA-N 437.953 1.448 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CC2CC2)CC1 1740992581 JUYTUMJXORVLKR-UHFFFAOYSA-N 430.578 1.397 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@@H]1CCOC1 1741917384 DNUVXBNGUCEVLL-RDJZCZTQSA-N 440.570 1.071 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)C(F)(F)F 1741924249 UWUVTILBZQXZBD-IINYFYTJSA-N 426.440 1.919 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)n1 1742712515 FATFNCMGTBNPBX-RBUKOAKNSA-N 429.525 1.454 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1748803193 VUQOGKGNWBIOOI-IRXDYDNUSA-N 430.578 1.661 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748812658 YUQYUBMRZZCILP-AEFFLSMTSA-N 442.545 1.796 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1748824864 KZXCPUHFOCKDLI-OAQYLSRUSA-N 434.544 1.390 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCCCO2)CC1 1749015527 GCACMNNYVJRWMJ-IBGZPJMESA-N 442.564 1.326 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749020063 KGBXZBGWBNXYBU-UHFFFAOYSA-N 432.594 1.764 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749128464 WLGPHWVRFYKCQY-MLYOOKFZSA-N 444.580 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749136056 KKTPAGXVRBNXFB-VWPQPMDRSA-N 439.560 1.996 30 10 IDEE C=CCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1749439787 JKZPACAZBGTEGB-QFIPXVFZSA-N 428.537 1.941 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1)C1CC1 1749519997 WJPOCFNHJMYOMA-NVXWUHKLSA-N 425.555 1.192 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1749672181 RRNJYBQKFPYQIY-UHFFFAOYSA-N 430.940 1.883 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1749683644 AMXSVLFWZGWTCA-HXUWFJFHSA-N 436.516 1.848 30 10 IDEE CC(C)OCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1750075903 JPJKCZQBLAXGAY-CVEARBPZSA-N 428.559 1.022 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC(F)F 1750474468 CTMYLSUERPGXOO-UHFFFAOYSA-N 446.506 1.841 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(C)nc(N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1760180645 ITYSFVITWSXWEW-LJQANCHMSA-N 428.562 1.565 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1760197253 YSDXYQBOYINPTA-GOTSBHOMSA-N 425.533 1.402 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@H]1C 1760224484 MCJYKMGYXSTAIC-BTYIYWSLSA-N 431.924 1.861 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nncn1C 1760240342 OMWVRDMWSTXTTH-JOCHJYFZSA-N 439.495 1.886 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 1760250801 MPGRCCSXZYRNMH-UHFFFAOYSA-N 425.581 1.376 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2c(C)noc2C)n1 1760252161 KAYTUUMGYVNDDF-GOSISDBHSA-N 439.520 1.918 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCO[C@H](C)C2)CC1 1760261705 ATQJWQDPKGBDBK-OAQYLSRUSA-N 437.592 1.520 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1760555745 MCVUPFAYQOLFQZ-IRXDYDNUSA-N 447.565 1.176 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(CC2CC2)CC1 1760557072 ZMLWMDJEWBJTAI-UHFFFAOYSA-N 430.578 1.397 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1760624454 MPLTUZLPVAZQTJ-HXUWFJFHSA-N 431.541 1.536 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)C(C)(C)C 1763033927 ABRSLNNKBGDMPW-OAHLLOKOSA-N 444.561 1.697 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCCO[C@H](C)C1 1763197375 DVGIOWJEXSYPPP-ZACQAIPSSA-N 441.602 1.128 30 10 IDEE 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C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 509003130 VDOPRXZHBOVPSP-IBGZPJMESA-N 427.505 1.913 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1C 509010128 DTXQERYFALCMOT-GOSISDBHSA-N 435.550 1.621 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 509010712 KILGCWXMEAZIEA-UHOSZYNNSA-N 447.561 1.763 30 10 IDEE Cc1ccc(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)cc1S(=O)(=O)NCC#N 517498038 ORSQGAMTRVSWAP-SFHVURJKSA-N 426.502 1.967 30 10 IDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 517526836 HWMRPKSAEVVFNO-UHFFFAOYSA-N 442.501 1.246 30 10 IDEE Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 530721975 AXCJJYLPCNCFOD-UHFFFAOYSA-N 434.543 1.604 30 10 IDEE N#Cc1c(F)cc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1F 550105745 AFUZPCDORVEVLD-UHFFFAOYSA-N 426.470 1.832 30 10 IDEE CN1CCN(C(=O)c2ccc(CNCCS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 554798089 XIFLRPPZRHGRTO-UHFFFAOYSA-N 426.542 1.509 30 10 IDEE CN1CCC(C#N)(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CC1 570731687 RIDYOJAIKFOQSA-CJJLBDBPSA-N 444.535 1.570 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(C#N)ccn1 580120586 DUYNLDKFMHVNNB-UHFFFAOYSA-N 429.502 1.540 30 10 IDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 581420510 FIRRUEWTTALDKW-ROUUACIJSA-N 425.489 1.671 30 10 IDEE Cc1ccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1S(=O)(=O)NCC#N 609412446 LGLFUJNVNGYNCV-GOSISDBHSA-N 426.498 1.500 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 610596528 GWIOYZYLPAHILK-SZNDQCEHSA-N 428.468 1.249 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@H]1CCS(=O)(=O)C1 729330851 GEMVVOQTNLAGPW-SFHVURJKSA-N 436.489 1.745 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(OC)cc3)c2=O)cn1 732563156 SJMLMRLVZLODIC-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE N#Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 741970925 AMZQOHPLCSESNQ-UHFFFAOYSA-N 433.461 1.527 30 10 IDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c(C)c1 742408629 MVMWFHWGYZDXNC-KRWDZBQOSA-N 442.541 1.939 30 10 IDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)CCN1C1CC1 746248518 VKSJCJBOTLHYNF-ROUUACIJSA-N 425.489 1.653 30 10 IDEE Cc1ccc(F)cc1NC(=O)C=NOCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 746700311 UXDRFFVTRICDLN-INIZCTEOSA-N 427.498 1.747 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O 753751921 GWSGTXFGVZANGK-GDBMZVCRSA-N 438.575 1.487 30 10 IDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 756647264 RPZORFMLGXFYFJ-SNVBAGLBSA-N 438.287 1.208 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)[C@@H](C#N)C1 757899887 WKUVTZVLPFJINS-ZDUSSCGKSA-N 429.520 1.224 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(OCC)c2)C1 760323116 NHBFKNCAEDJFHO-DOTOQJQBSA-N 447.561 1.957 30 10 IDEE C#CCN(C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774050189 YHKBWNFASNAURW-AWEZNQCLSA-N 427.548 1.418 30 10 IDEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)[C@@H]1CCS(=O)(=O)C1 774261567 ANADEXFCHZBOIC-GUDVDZBRSA-N 439.965 1.544 30 10 IDEE C[C@H](c1ncn(C)n1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 780310787 SCLYKDZLUFQLFA-GDBMZVCRSA-N 429.550 1.576 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 782985056 FZNSWFHLOGNZAM-GFCCVEGCSA-N 427.408 1.304 30 10 IDEE COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCF)c1 797815130 MBFDHNVJZONWAW-INIZCTEOSA-N 426.514 1.673 30 10 IDEE C[C@@H](C(=O)OCC(=O)Nc1ccccc1I)n1cnc(C#N)n1 798747785 MJNDICNDQSMOAK-VIFPVBQESA-N 425.186 1.497 30 10 IDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1Br)n1cnc(C#N)n1 798845778 OVYYTQAJQPFSKD-MRVPVSSYSA-N 432.687 1.773 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 801150041 ZNNCHJWTPORKOY-SFHVURJKSA-N 441.509 1.008 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 809910448 SIWRGBBNRJCNLJ-QGZVFWFLSA-N 436.557 1.541 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 809918056 UJPHKYDOEJSYDX-OAHLLOKOSA-N 443.570 1.643 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 810360846 DBLGPOPYWYOMRW-INIZCTEOSA-N 436.534 1.600 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)n1CCOC 812079794 ZSIODJJTXCCAOX-UHFFFAOYSA-N 441.557 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCOC2)CC1 812391526 JCCOUNGTMJKXDH-INIZCTEOSA-N 438.488 1.856 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)CC1 813389630 OENKBKYQJVDDTJ-LJQANCHMSA-N 448.486 1.622 30 10 IDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCn1nc2ccccn2c1=O 914625009 HLCKMCZHKUXGMG-QHCPKHFHSA-N 447.451 1.204 30 10 IDEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 914720875 YNNWOHGLGILTHQ-UHFFFAOYSA-N 431.493 1.741 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cnc21 916886781 JUYNUYFHZDKONW-LBPRGKRZSA-N 432.412 1.792 30 10 IDEE C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 921218506 XXTCCTYXSFCKFS-FJJYYWMZSA-N 436.530 1.656 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@H]3CSC[C@@H]3O)C(=O)[C@]12C 1076000495 ZLCUAISAQVPXBL-JLPNVCTJSA-N 445.493 1.635 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cn1 1084466679 QKKLMXJOYYJSLX-UHFFFAOYSA-N 443.537 1.628 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1136575042 KEQOSHKTOSYAEC-DRRXZNNHSA-N 440.466 1.664 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 1146320986 VYOHFKYMOCGUBA-JEDBISTDSA-N 433.530 1.805 30 10 IDEE C=CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCOCC1 1146466165 QQBNCLMMCAQWKN-IXDOHACOSA-N 442.578 1.898 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1147254187 FFQDKDYZBYJMCX-AWEZNQCLSA-N 434.543 1.241 30 10 IDEE CN1CCn2ncc(C(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)c2S1(=O)=O 1148674108 DZMBMWXFQDSWEJ-CYBMUJFWSA-N 429.380 1.410 30 10 IDEE Cc1cc(O)nc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)n1 1155609246 DLQMOIHCOCUGOQ-HNNXBMFYSA-N 440.891 1.717 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC3CC3)[C@H](C(N)=O)C3CC3)CC2)cc1 1171945401 WWQTXWSYGIPQGQ-FQEVSTJZSA-N 444.557 1.461 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1189977556 RPKKHWQSCOKVBY-UHFFFAOYSA-N 427.482 1.673 30 10 IDEE CS(=O)(=O)NC[C@@H]1COCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1196639121 LWGJGKGNJBZPFK-CYBMUJFWSA-N 426.564 1.077 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 1221983254 QOJSXEKILZIJEO-GOSISDBHSA-N 433.578 1.007 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4oc(O)nc4c3)CC2)cc1 1248467374 GCFXNCJAEBHRTC-UHFFFAOYSA-N 441.469 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COCCO1 1286414432 WISFHGVBNCXLRY-IBGZPJMESA-N 443.548 1.881 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1286419336 SJVKWGKQVRGTTG-QGZVFWFLSA-N 440.529 1.356 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1286472318 GLVKIJNIMGVYIX-FCHUYYIVSA-N 445.589 1.655 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nnn(C)n2)CC1 1286486808 BNWXEUGBJPKMKH-UHFFFAOYSA-N 439.911 1.136 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1286521632 BKAGGMTYLROKKG-DYESRHJHSA-N 427.530 1.320 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cs2)CC1 1286789660 IPHPQHAROHERCL-UHFFFAOYSA-N 438.561 1.658 30 10 IDEE Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290857426 OAHFMZXCDCYXJJ-YWMAMYRUSA-N 445.524 1.559 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1CC1)C1CCN(S(C)(=O)=O)CC1 1298186764 HQTCXMKMXITXHK-UHFFFAOYSA-N 444.561 1.999 30 10 IDEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1299024819 FLSTUIFRBTXHBF-KSSFIOAISA-N 441.513 1.635 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300411557 UHAYSFVLOUQJMQ-OALUTQOASA-N 435.594 1.142 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1300458309 GYPVYJDSUQXLCD-SFHVURJKSA-N 431.562 1.238 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300476640 PZSKPCJHOXMSAZ-INIZCTEOSA-N 449.602 1.930 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300492280 MLPMKBJDKGVDGX-IBGZPJMESA-N 447.605 1.963 30 10 IDEE C#CCN(c1nnc(CC)n1CCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 1300497943 FIJWKYBNDXQCJZ-AWEZNQCLSA-N 441.355 1.126 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300498337 JFTJQCXKPRSDOA-RTBURBONSA-N 429.546 1.460 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(C)(=O)=O 1300511465 JYQLHYNPOHUEJH-UHFFFAOYSA-N 432.502 1.088 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1CC(=O)N1CCN(c2ccccc2)CC1 1300595776 QDZNRHPXKSFOAM-UHFFFAOYSA-N 434.544 1.626 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2COc3ccccc32)CC1 1300683534 PGIFFYYEIQEQOI-RBUKOAKNSA-N 425.533 1.934 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](C(=O)OC)CC[C@H]3C(=O)OC)n[nH]2)c1C 1300922832 NCMJZIJCSFHPGE-PBHICJAKSA-N 429.477 1.643 30 10 IDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301251262 AHNFSXWKRGATBW-SFHVURJKSA-N 439.582 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301576453 VBTYSWAPYADUDC-OAQYLSRUSA-N 440.529 1.134 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC)[C@H](C)C1 1301577284 HKNAXDPLIWYQAV-MRXNPFEDSA-N 447.561 1.805 30 10 IDEE CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1302368874 GSGMKJOKWKXXTN-QZTJIDSGSA-N 445.545 1.401 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)CCOC1 1303763988 QIHSFADKHWULMM-XQBPLPMBSA-N 448.568 1.016 30 10 IDEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1306470881 LJLJHPWAGKWOQB-ONEGZZNKSA-N 432.492 1.118 30 10 IDEE COc1ccc(N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c(OC)c1 1308014028 JARSSJGPPIMZGA-NRFANRHFSA-N 429.565 1.518 30 10 IDEE C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)C1=O 1308116545 GZIRYEVVRHWUNV-JOCHJYFZSA-N 440.500 1.299 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CCO1 1315014199 BOVOJOCENAIHLD-HXUWFJFHSA-N 447.499 1.432 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1315825398 OWHMRHMFIYRCGH-DLBZAZTESA-N 443.483 1.269 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1316567486 MZVPUHBXHANVNL-MBUFOBGISA-N 440.426 1.840 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCCC1 1342483704 UJSSOZCUEALVFJ-KRWDZBQOSA-N 432.546 1.922 30 10 IDEE COc1cccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1346064869 KEGWFNSRGCHIHQ-IAGOWNOFSA-N 444.488 1.858 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccc(OCC#N)cc2)C1 1348652299 PCXFOIZJWZYSMW-JLTOFOAXSA-N 435.502 1.809 30 10 IDEE COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cscc2C#N)c(O)nc1=O 1350273612 RTMVFQFELOGKHZ-UHFFFAOYSA-N 425.470 1.958 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358937052 GVFHBLGGAKEGAG-KRWDZBQOSA-N 439.568 1.767 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)COC 1358948890 OHJXPRYCDUYZAN-INIZCTEOSA-N 427.571 1.133 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358961626 CANSBJQALRQQJU-IRXDYDNUSA-N 449.577 1.205 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1359023981 CATMZMBOXODDFL-OAHLLOKOSA-N 433.534 1.181 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)CC1 1359030689 BYLZZCRVWXIBSR-HNNXBMFYSA-N 435.326 1.206 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](OCC)C(C)C)CC1 1359044865 QKVVCDLYXCDRBX-MOPGFXCFSA-N 444.580 1.646 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1359076457 BYXIVXTWVRXDNY-LBPRGKRZSA-N 434.298 1.536 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1359103272 MDRMJDHAXRBFPP-NYUBLWNDSA-N 433.553 1.622 30 10 IDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1359138862 GCASZQUOZBTQEF-MSOLQXFVSA-N 429.546 1.956 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1359281946 NNGSTPCACBYTBQ-HUUCEWRRSA-N 432.637 1.668 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1359298190 QNIXMCKKGWDIMV-SFHVURJKSA-N 434.548 1.692 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1359305368 BHBGBXSYXXSSJS-VGOFRKELSA-N 449.552 1.007 30 10 IDEE CC(C)(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359584700 HFRUILFNCYMXPO-MRXNPFEDSA-N 425.493 1.579 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCc2nccn2C1 1360672177 NDIYZLXCAOYERT-HOCLYGCPSA-N 432.554 1.087 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)c1 1444438407 XUVPBGCBPARURT-SFHVURJKSA-N 445.516 1.796 30 10 IDEE C=CC[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1453000436 RZXJNOPCUDMVSC-SJLPKXTDSA-N 428.576 1.583 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O 1457956862 XPDYJRMELPCVTB-GFCCVEGCSA-N 443.305 1.958 30 10 IDEE COc1ccc(CC(=O)N(C)c2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 1459110443 HKPRVNIMDIWWNE-UHFFFAOYSA-N 430.486 1.188 30 10 IDEE COC(=O)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@@H]1C(=O)OC 1460932257 FMKXOLUXXIGAOX-WQVCFCJDSA-N 433.530 1.967 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1463401508 XYDFTCAMXVOUPX-NRFANRHFSA-N 445.382 1.341 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@H]32)CC1 1464851645 ZORBGISVGIPZST-NSISKUIASA-N 430.346 1.619 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)CC1 1467158355 OYHCTCKCTYDYLU-SJLPKXTDSA-N 442.545 1.613 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1503219143 VXALMLFSSIZOPS-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC1 1503644697 HTKCXJWBYFPRRN-OAHLLOKOSA-N 434.342 1.871 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1507518282 UANDUMYJRUBWAB-VXGBXAGGSA-N 441.355 1.552 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)NC(C)C)c1 1507550275 WGQNKCDHRQSPFD-UHFFFAOYSA-N 431.500 1.921 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507572247 DAYRKJVPPWIGEW-MRXNPFEDSA-N 429.525 1.083 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507651446 PJQSIHPXPMHMAQ-UHFFFAOYSA-N 445.527 1.591 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1510112595 JQCVXOYJKNTFOF-XOBRGWDASA-N 430.534 1.164 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1519191574 GPVNIUAEWLNJLW-CVEARBPZSA-N 444.923 1.822 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(C(=O)NC)CCOCC1 1538083758 OUHRSHDFJRSTPA-UHFFFAOYSA-N 440.294 1.510 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1539147535 BLQAFONQROKRDL-GFCCVEGCSA-N 431.440 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C(C)C 1539258537 XSLHEKQWBIQIKO-NRFANRHFSA-N 428.562 1.718 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccn(CC)c1=O 1539290425 HNVMEASZNCXEAT-UHFFFAOYSA-N 429.484 1.618 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539305820 QNMHSXCAYVSKTB-HXUWFJFHSA-N 436.541 1.704 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1539366001 UHKPWOICXNIVIS-UDTLNKQYSA-N 431.581 1.902 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(C)CC2)CC1 1539468943 KJSHIMFEPPGVNO-HNNXBMFYSA-N 436.582 1.044 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCS(C)(=O)=O)CC1 1539484265 JJBMYVKFOFUYSG-UHFFFAOYSA-N 449.602 1.331 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540033567 LPRRTAOLZIMUSC-ROUUACIJSA-N 440.552 1.717 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC)C1 1540882862 PQBWFBNUDARKEO-KRWDZBQOSA-N 446.939 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1540903598 DEIXRZIKFNUODC-QGZVFWFLSA-N 448.545 1.478 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1540943407 QDGPMQJDZHPIKC-QBEKEKFNSA-N 443.552 1.308 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)CCOC1 1541733330 OGZICVSXQXCHON-QFBILLFUSA-N 425.555 1.163 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)CCOC1 1541733331 OGZICVSXQXCHON-VQIMIIECSA-N 425.555 1.163 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CCCO)CC2)n1Cc1ccc(C#N)o1 1541926763 XKHFLQDXLDYZED-AWEZNQCLSA-N 436.538 1.390 30 10 IDEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 1545289982 RPWYWUKJSBZECY-MRXNPFEDSA-N 442.520 1.889 30 10 IDEE CCNC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1547776033 ALQPCCOYDRMNMY-UHFFFAOYSA-N 437.508 1.504 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1555316138 DTRRIQQVZVPXSD-UHFFFAOYSA-N 442.545 1.635 30 10 IDEE COCCN(Cc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1555552174 YBHFWJIWJXOUCA-OAHLLOKOSA-N 445.501 1.939 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCN(O)C1=O 1556782614 NARABUHSYYQKNW-CVEARBPZSA-N 435.477 1.510 30 10 IDEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1558369846 CFTKEYZWYXQULQ-UHFFFAOYSA-N 427.548 1.870 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1OC 1558604838 YNHCRBOFRGFGAR-HXUWFJFHSA-N 445.497 1.454 30 10 IDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1cc(C)sc1C)C(=O)OC(C)(C)C 1566522879 MPIPHHQQGYVZKI-UHFFFAOYSA-N 429.564 1.630 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccccc1Br)c1cc[nH]n1 1570317804 YRSUNDOKYCPRID-AWEZNQCLSA-N 439.266 1.306 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1587567032 AIJZYMPMOLCTMK-WZONZLPQSA-N 440.548 1.668 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1587701452 CCAXHBSLPDJXLT-UHFFFAOYSA-N 426.525 1.345 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H]1CO 1588171260 XPGULORRWNFGCY-HXUWFJFHSA-N 426.565 1.214 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1588433306 OGIDIEVOBZRDBE-NRFANRHFSA-N 436.560 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCN2CCCC2)CC1 1588954612 IUIFKLJKEDKMEI-UHFFFAOYSA-N 426.590 1.992 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H]1c1cnn(C)c1 1595475771 FSCXSBFYBFRBMR-VAMGGRTRSA-N 432.440 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1595765569 DGGDOKWLYMAKHM-UHFFFAOYSA-N 445.545 1.366 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1610979222 AWXUWOWHDCYGIF-HXUWFJFHSA-N 441.532 1.988 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1611308694 SBTVXSFTBYIJJG-HTAPYJJXSA-N 440.552 1.996 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1611772235 OKEVZEIPJKJUAT-QGZVFWFLSA-N 448.593 1.617 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613216985 QDSWJJSBWFKBCK-STGLLQLASA-N 430.509 1.707 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1613429100 FJLVCSIBLFRDCX-CRAIPNDOSA-N 437.504 1.762 30 10 IDEE COc1cc(C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)ccc1C#N 1616265517 KPSKWYSKHAYCHY-UHFFFAOYSA-N 442.541 1.612 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(I)s2)C1=O 1622074531 JJGZTKGPOSGTRZ-SECBINFHSA-N 426.301 1.760 30 10 IDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1625457748 ZCVGIKIZBNVWTH-JALFLYODSA-N 437.537 1.710 30 10 IDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OC(C)(C)C 1628394175 ZIFYGYODJPDKAT-UHFFFAOYSA-N 437.518 1.516 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)NC2CCCCC2)s1 1630519801 KRRANGQIFNHXMK-UHFFFAOYSA-N 428.580 1.503 30 10 IDEE CCOC(=O)[C@@](C)(O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1633526631 YGSZPFGYSAFSSC-VGSWGCGISA-N 431.489 1.823 30 10 IDEE N#C[C@]1(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCc2ccccc2C1 1634340145 QHKXJBQNTUIHJN-QUCCMNQESA-N 433.917 1.547 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1635310696 NGJFGAKONKLMRB-DOTOQJQBSA-N 428.576 1.852 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cnn(-c2ccccc2)c1I 1636546541 VCULLLBQSGGESS-GFCCVEGCSA-N 426.214 1.587 30 10 IDEE COC(=O)c1cn([C@H]2CCCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1638008461 HCURBVWIKPILLC-KRWDZBQOSA-N 445.520 1.879 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1I)C(=O)OC 1639558239 GGELNHBLNSWHIU-LLVKDONJSA-N 435.262 1.717 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@H](CCO)C2CCCC2)CC1 1644665564 KDCSFMPKQXFFPL-QGZVFWFLSA-N 427.505 1.986 30 10 IDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1647797189 UQWVMWUJSQGJAX-INIZCTEOSA-N 434.338 1.971 30 10 IDEE N#C[C@]12CN(C(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1648155239 BNAWSRWZLQATJQ-MCQCXYRUSA-N 425.466 1.447 30 10 IDEE CNCCCc1[nH]nc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)c1C#N 1648430026 BDYDWTHCJQEZPV-UHFFFAOYSA-N 430.534 1.545 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c(=O)n1CCO 1656828228 JVPBZNURAPDBKT-LJQANCHMSA-N 442.472 1.289 30 10 IDEE CN(C)C[C@]1(O)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1659181369 LXGNDTFTCPDNOJ-MHECFPHRSA-N 443.592 1.745 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(I)s1)C(=O)OC 1663038300 YRYCNMDYNMEWCF-QMMMGPOBSA-N 431.273 1.375 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C(=O)OC 1663796309 GFMBIGKHONLCON-CYBMUJFWSA-N 429.292 1.201 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OCC 1663905765 UAKZJVDAJWZLMA-LBPRGKRZSA-N 437.287 1.863 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1ccc(Br)cn1 1683959458 KHGXASJMKBGGFK-KRWDZBQOSA-N 446.305 1.821 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689985834 CIXWKGLHYMALDF-IBGZPJMESA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689993120 VYTBTCONURGCIH-SFHVURJKSA-N 429.546 1.196 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689993187 XKBOSDONUAXQER-HOJAQTOUSA-N 445.589 1.952 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cc1 1690019483 JYJBPAULKZDRQI-MRXNPFEDSA-N 432.933 1.985 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCOCC)CC1 1690139132 AUEQFSGNKVQFHF-UHFFFAOYSA-N 441.532 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccnc(SC)c2)CC1 1690145906 APICFSCHQQEFLY-SFHVURJKSA-N 440.573 1.913 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1690174954 MZDFXSHPPGOLIL-KRWDZBQOSA-N 426.608 1.800 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)CC1 1690396539 FNNOGCLPVGBDES-NVXWUHKLSA-N 433.582 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690722693 SBKFXDXZOGIQTG-MRXNPFEDSA-N 447.565 1.029 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1690852580 GRIYBSIQVHNAME-MVZUJROASA-N 429.525 1.060 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1697714927 NRKRZBBKOYAYNM-UHFFFAOYSA-N 439.520 1.074 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H]1C 1705544696 AXDYIANKLMJGNJ-KRWDZBQOSA-N 430.578 1.749 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705580179 FHAGDXDGZGAWQI-VXKWHMMOSA-N 446.555 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCc2nc(C)no2)CC1 1705647510 FWRYMGASHOJEJI-GOSISDBHSA-N 441.536 1.810 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1705792190 OSMLENMPVBBVQI-HNNXBMFYSA-N 444.623 1.796 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705806762 LTBRWWKVRBOBDJ-YCRPNKLZSA-N 429.525 1.400 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(OC)CCOC1 1705837385 ZGUQLEAKECYAFY-FQEVSTJZSA-N 435.550 1.623 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1705896728 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30 10 IDEE CC(C)(C)OC(=O)NCCCc1cn(CC(=O)ON2C(=O)c3ccccc3C2=O)nn1 1772794210 CSQASPXZPKRXCI-UHFFFAOYSA-N 429.433 1.490 30 10 IDEE N#CC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850085996 NCOZYJPCRFFPRR-GOSISDBHSA-N 442.944 1.984 30 10 IDEE C[C@H]1CN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CCN1S(C)(=O)=O 1851059531 UMCJYXYOPXWIIH-INIZCTEOSA-N 441.557 1.815 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)cnc2c1C#N 1851653606 SHAUHCFZTGESMF-UHFFFAOYSA-N 430.394 1.989 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 1852655158 VIZWXPNHZUOFFD-QGZVFWFLSA-N 442.379 1.932 30 10 IDEE CC(C)(C)[C@@H](C(=O)N1CCC(COc2cccc(C#N)n2)CC1)N1CCS(=O)(=O)CC1 1852939222 VSWZFIAGQQACNM-HXUWFJFHSA-N 448.589 1.716 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC#CCN1CCCC1 1852968319 JVKPFCGMKHKMIZ-AWEZNQCLSA-N 428.352 1.331 30 10 IDEE C=CCN1C[C@@H](C(=O)N[C@@H](Cc2ncc(C(F)(F)F)cc2Cl)C(=O)OC)CC1=O 1853100747 DGNSIRNYEZANAS-HZMBPMFUSA-N 433.814 1.989 30 10 IDEE C[C@@H]1C(=O)N(C(=O)COc2cncc(Cl)n2)CCN1CCOc1ccc(C#N)cc1 1855879692 NRMZDNJUDFSHGM-CQSZACIVSA-N 429.864 1.519 30 10 IDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 1861266727 VIRYHMKNKVMHBF-QGZVFWFLSA-N 430.892 1.216 30 10 IDEE CCCCCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN1C(=O)c2ccccc2C1=O 1861523004 MPVBFHRODVRHJE-APWZRJJASA-N 429.517 1.721 30 10 IDEE C=CCNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861588458 GBILYOJKBXWNKQ-ZWKOTPCHSA-N 429.517 1.388 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987542680 MWOBJNLZHBFJDH-OAGGEKHMSA-N 425.526 1.780 30 10 IDEE CN1C[C@H](C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2060634127 VXQMDNQVCVOBIX-YMAMQOFZSA-N 437.346 1.805 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124520405 UZQKUMDMXLVEOG-HNNXBMFYSA-N 448.329 1.740 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141670073 KMCTWYMXPSODMG-GOEBONIOSA-N 447.341 1.937 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1sccc1C#CCCO 2145939498 QUBLGZIQAZHHPN-UHFFFAOYSA-N 446.550 1.978 30 10 IDEE CN(CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)Cc1ccccc1 2247880925 NPUNGTLWGRKYEU-UHFFFAOYSA-N 434.371 1.130 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247907361 AUTJLWMGUDTSFN-LBPRGKRZSA-N 441.359 1.400 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255694643 RAOWTOHCCPZKFF-UHFFFAOYSA-N 430.314 1.611 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255706012 CHDGCKOCDPTRGX-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255848073 WCHPSSIYLMOEFP-UONOGXRCSA-N 436.314 1.536 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256622076 BWLNBSHGRLGXGL-HUUCEWRRSA-N 433.314 1.859 30 10 IDEE Cc1nc(NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256670972 MFOGSDPLQZKQNP-CQSZACIVSA-N 436.318 1.298 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267194743 RROVIMNIKZOMOS-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2337299722 VQPXONWJVDBUQP-SOUVJXGZSA-N 446.357 1.705 30 10 IDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 44360637 FWMSHFPDCRUOPA-CVTQAYBASA-N 435.527 1.364 30 10 IDEE O=C(CSc1n[nH]c(N/N=C/c2ccc(COc3ccc(F)cc3)o2)n1)NCCO 59818081 IMMSTRLUXYBDDA-ZVBGSRNCSA-N 434.453 1.762 30 10 IDEE C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)n1cnc(C#N)n1 409475385 NNOINEQNZMSOMR-NSHDSACASA-N 432.282 1.746 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409503446 XVCQPTDDLWMOHD-TUVASFSCSA-N 446.403 1.691 30 10 IDEE COC(=O)[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 428567520 BRXYMNBLXZZHSZ-ZUOKHONESA-N 433.461 1.569 30 10 IDEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443341908 GAAXFODQTPGZHF-UHFFFAOYSA-N 428.489 1.552 30 10 IDEE CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 478852586 IPHMPOXDKXPKSM-HNNXBMFYSA-N 427.482 1.645 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 480521764 GHMUDLLBYKQENK-BEFAXECRSA-N 426.498 1.315 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)C2=O)cc1 487175857 WLGJDUNFXZKFNY-LJQANCHMSA-N 433.516 1.791 30 10 IDEE CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCCC[C@H]1N(C)CC(=O)N[C@](C)(C#N)C1CC1 495414518 IPBWZQYDCMYQGH-GKIBHXGMSA-N 442.608 1.778 30 10 IDEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n2c1 505890547 CEVOKNUKUIVEGZ-UHFFFAOYSA-N 426.458 1.621 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 508943938 AIHSCJMUVVZSET-KRWDZBQOSA-N 448.593 1.538 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1C 517496882 SYTONAGAXBYQEH-SFHVURJKSA-N 425.554 1.733 30 10 IDEE COC(=O)CCNC(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544880344 UGTGVOJEYXNOEL-UHFFFAOYSA-N 436.472 1.600 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccccc1 571587697 GODMMDDZHCNFCB-UHFFFAOYSA-N 434.521 1.391 30 10 IDEE CCCn1c(=O)nc(O)c2c(C(=O)N3CCN(C(=O)CC#N)CC3)cc(C(C)C)nc21 572042966 FUFDKNKCHPMKPT-UHFFFAOYSA-N 426.477 1.229 30 10 IDEE CC(C)(C)c1nc(=NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s[nH]1 609712081 APKPBSWESOZFCK-UHFFFAOYSA-N 434.547 1.668 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669818427 HPXQZKGLNFNRJS-MSOLQXFVSA-N 449.581 1.452 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1 684124864 WUYWUKUYVJZFOY-UHFFFAOYSA-N 428.920 1.610 30 10 IDEE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732152775 AOOCSMOIGUMCTD-XRKXUTDYSA-N 442.560 1.986 30 10 IDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 732495610 DVIXMYFJZNZMAB-PZJWPPBQSA-N 446.463 1.818 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)C[C@@H](C)O1 732650070 ZGKJJCUWFQEFFC-JTDSTZFVSA-N 432.546 1.297 30 10 IDEE C#CCCNC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 733247721 ONVOVSKVYDPNSC-CXAGYDPISA-N 427.954 1.874 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(c2ccc(Br)cn2)CC1 733893489 ZFCUDWKPZQCOEH-ISLYRVAYSA-N 434.294 1.409 30 10 IDEE C#CCN(Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)[C@H]1CCS(=O)(=O)C1 744398548 LYDQRTLZKYLLHK-ZDUSSCGKSA-N 427.429 1.969 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccnc(C#N)c1 747008756 VIZQBVONVSPIQG-QGZVFWFLSA-N 435.889 1.883 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 747314169 UPUZFXXLLLZKKG-CQSZACIVSA-N 441.469 1.538 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)CCN1C1CC1 759013355 MGJXXYYHXALHJP-HXUWFJFHSA-N 444.499 1.254 30 10 IDEE C#CCN(C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 774168727 NPNYWFIAUQDXSF-JOCHJYFZSA-N 446.617 1.729 30 10 IDEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 775135268 WPPURAITWPSVJB-DLBZAZTESA-N 427.567 1.902 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@H](C)c1ncn(C)n1 780313471 WBYDSHGGUDMIDW-NVXWUHKLSA-N 443.577 1.884 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 784118418 OGQWXHMFIZKDHJ-GOSISDBHSA-N 430.574 1.953 30 10 IDEE Cc1cc(Br)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1[N+](=O)[O-] 784701658 FWBATPOUJVPCJZ-GFCCVEGCSA-N 436.266 1.803 30 10 IDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)NC2(C#N)CCCCC2)CCCC1 786296703 LBDGIEOYGFIKPW-UHFFFAOYSA-N 429.521 1.965 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)OCC(=O)NCc3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796422975 XELWPGDJRLBCEK-NQIIRXRSSA-N 437.500 1.839 30 10 IDEE CNC(=O)C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 797764434 IXLKKXPVNUOLEY-YOEHRIQHSA-N 428.514 1.497 30 10 IDEE CC(C)[C@@H](NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc2c(c1)OCCCO2 798740805 CCTPIFVIZOWPLX-JLTOFOAXSA-N 427.461 1.929 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)n1 799819270 BUDREFMPFSPBFC-UHFFFAOYSA-N 435.897 1.187 30 10 IDEE COC[C@]1(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 804787381 HPIPKYJRPCVSQT-RURFIKTLSA-N 436.509 1.435 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(Cc2cnn(C)n2)C1=O 807936616 OOFWDLFUABZGRG-CYBMUJFWSA-N 438.416 1.404 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCNc2ncccc2C#N)c1 918576082 ZJEQTOFKUIRDAH-UHFFFAOYSA-N 442.545 1.646 30 10 IDEE CN1CCN(CCCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1136188289 CJVWAQXFORKHPG-KPRXVCGWSA-N 433.597 1.917 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 1140627775 ZVCVTZWISLJHMG-GFCCVEGCSA-N 428.898 1.097 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1148505952 RBBJQBITBFNLEY-GUYCJALGSA-N 446.451 1.380 30 10 IDEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3cccc(Br)c3)CC2)C1 1157545267 SLNVITOKFUYCMS-UHFFFAOYSA-N 443.319 1.592 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)C1 1158832061 OGTLLGQNOIDARB-QGZVFWFLSA-N 438.347 1.793 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1164659690 PUFLWFRNLHTFGS-ROUUACIJSA-N 442.541 1.613 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(CCc4cnccn4)CC3)CC2=O)cc1Cl 1175292850 XMCVDWCYCSCCAI-KRWDZBQOSA-N 438.919 1.741 30 10 IDEE C[C@H](CC(=O)N1CCN(c2cc(Cl)ccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1178342938 AXOGYJNFERKEQK-CQSZACIVSA-N 447.948 1.901 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CCO2)cc1 1179405990 UMYLVXZPWOKFJE-PMACEKPBSA-N 446.463 1.388 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H](CO)c2ccccc2I)cc1 1180276473 IIDCKEICQSDDSP-INIZCTEOSA-N 449.248 1.742 30 10 IDEE N#Cc1cc(C(F)(F)F)cc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)n1 1184857159 ZMPJCEWBAYQBIE-UHFFFAOYSA-N 440.451 1.931 30 10 IDEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 1198371647 CUFARLFGFAZFNI-SJORKVTESA-N 436.490 1.685 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286376196 HMEQAFGDQZWKBZ-OAHLLOKOSA-N 437.566 1.649 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286390019 VFKCKLANMBMUDC-RTBURBONSA-N 441.557 1.521 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286394723 WQCFBKOZJXPNCI-SFHVURJKSA-N 435.594 1.552 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)CCC(F)(F)F)CC1 1286480418 WEPJUQDGDCMQKZ-INIZCTEOSA-N 441.502 1.259 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2F)CC1 1286481767 XIBMJUIGJBFWQP-KRWDZBQOSA-N 447.536 1.131 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286709601 YZCHWNSTQZHHSC-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCN(C)C 1291620172 NXFHKOCHWYDRRA-SFHVURJKSA-N 426.569 1.963 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2COCCO2)cc1OC 1294939872 FXBCZRLJRPJMAT-ZWKOTPCHSA-N 443.504 1.887 30 10 IDEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1296468637 BYYXKTLRZHGJRK-GOSISDBHSA-N 442.520 1.495 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)C 1297653180 GYTCHUNKHQNTBS-MRXNPFEDSA-N 446.577 1.848 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCO1 1297759141 BBRWQDKTPZPNDB-GOSISDBHSA-N 432.550 1.761 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300313546 KTTTZEJHWKWKGX-NSHGMRRFSA-N 442.589 1.926 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1300363776 GFSGZJSJQXMFKI-GOSISDBHSA-N 431.566 1.492 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(CCC)CC2)CC1 1300726605 QRGKILCUDSAXRR-OAQYLSRUSA-N 442.608 1.870 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)CC1 1301105241 FVAAVLYVSPWUEL-CQSZACIVSA-N 426.587 1.453 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1301273779 XKBBQKIXGITCLI-KGLIPLIRSA-N 430.575 1.766 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1301447830 BMNGSJUFZKFNLT-QRQCRPRQSA-N 439.520 1.575 30 10 IDEE COCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1301481178 BKUVOIJJQAFKRX-DNVCBOLYSA-N 425.530 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1301485012 PWJZOQYHHYMMIR-GAJHUEQPSA-N 436.516 1.893 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1301576079 RJINOYYLEZEIEK-UHFFFAOYSA-N 443.529 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccccc2[C@H]1C 1301584724 CPTYFCPPBHZSKY-CRAIPNDOSA-N 429.546 1.954 30 10 IDEE COCCN1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301911920 OFOLURMUBHNTGI-FMQUCBEESA-N 445.568 1.162 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1301966614 WLCHOWIJCKEOBO-OAHLLOKOSA-N 429.525 1.712 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1303754280 HPODEDMULZFDOE-KRWDZBQOSA-N 437.548 1.487 30 10 IDEE CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)o1 1306007548 GPWTXVOKWOFECU-AUUYWEPGSA-N 435.554 1.926 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc4nc(O)sc4c3)C2=O)cc1 1309461828 GTBFPXUHYATVRC-INIZCTEOSA-N 428.495 1.953 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2nnc3c(=O)n(C)ccn23)cc1 1310195865 FAIQFVRVZZIYCY-UHFFFAOYSA-N 435.488 1.606 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1313894943 DZHBQSMHGKZYIP-RBUKOAKNSA-N 428.562 1.924 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1314550692 FQKTZTFOEYHORS-KRWDZBQOSA-N 441.558 1.405 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCCCCCO)cc1 1316533214 IEJNBZCQQJRUNH-GOSISDBHSA-N 440.504 1.922 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1358977406 LTPXRUUAHNKCHR-JOCHJYFZSA-N 446.555 1.307 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359136787 UZHRCJVDYZVBSP-QUCCMNQESA-N 434.585 1.396 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCn2nc(C)nc2C1 1359296726 SACMBXPUULKZDE-UHFFFAOYSA-N 438.492 1.185 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C1 1359322472 WDDJTNCHTTYYLI-IRXDYDNUSA-N 425.555 1.192 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cnn(C)c2)CC1 1359329041 XBOYRIVDSMVMIS-UHFFFAOYSA-N 445.549 1.507 30 10 IDEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359339472 GTVQAGRECZMPSA-MRXNPFEDSA-N 426.546 1.320 30 10 IDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1359344685 GIJDBRRBWCEXGK-UHFFFAOYSA-N 442.636 1.635 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1 1441628615 DFXXIQBPACLRKD-OAZPQLMHSA-N 440.522 1.324 30 10 IDEE C#CCC[C@@H](O)CNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1448353102 UIVSWRBAGVIKAU-ZHRRBRCNSA-N 449.507 1.660 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(Cc2cnn(C)c2)C1 1454231945 LQRRSSYMTHKXJG-SFHVURJKSA-N 429.546 1.719 30 10 IDEE CN(C)C(=O)[C@@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1461455264 DVVFJKDZFRPBTJ-SCLBCKFNSA-N 439.394 1.289 30 10 IDEE N#C[C@]12CN(C(=O)COCCc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1463168618 OTSVAJQVLRPEKM-WMLDXEAASA-N 427.320 1.405 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1503767604 FRRXJXTXKPXRMQ-UHFFFAOYSA-N 448.531 1.978 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1505321778 FADNLLJBDMBMIZ-OALUTQOASA-N 445.545 1.516 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(=C)C)c1 1507551708 YKAFUJVHNCHHOZ-IBGZPJMESA-N 436.516 1.878 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507581273 PNVCAPLTVLCMRX-YLJYHZDGSA-N 434.500 1.904 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507589278 VLEXGSNRSOCZSM-WBVHZDCISA-N 447.565 1.168 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C2CC2)CCC1)[C@H]1CCS(=O)(=O)C1 1507623335 VNRUTCAWPYGRHB-KRWDZBQOSA-N 433.578 1.623 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507630512 ATLGTDNBBCNZRF-GOSISDBHSA-N 443.577 1.094 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CC 1507647040 ADYMEUDDBXXZTD-GOSISDBHSA-N 439.589 1.795 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1507690171 QNEAMJBWCSBWLA-QFIPXVFZSA-N 425.537 1.717 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1507811233 OUOCHRBMXJKFIA-KZFRKFNSSA-N 433.553 1.578 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507884975 OTPWDRXILRBUJP-HNNXBMFYSA-N 428.580 1.304 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507953141 CNFCATYINTXGAS-UZLBHIALSA-N 434.566 1.632 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1508041398 OJCQKQMVXDHJJY-QFIPXVFZSA-N 439.520 1.299 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1508422724 DWVITZIDKTXEQK-WBVHZDCISA-N 445.545 1.986 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1514229229 RNAXKRYQDKLBRP-LJQANCHMSA-N 448.535 1.779 30 10 IDEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1516667157 GOTDMMHCMBIYIZ-IRXDYDNUSA-N 437.566 1.506 30 10 IDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1517682190 LSGXZAVKPSHLHK-QGZVFWFLSA-N 438.488 1.397 30 10 IDEE COCCOC1(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1519342438 VLKRRGXXECJVDD-QGZVFWFLSA-N 430.509 1.225 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(CS(C)(=O)=O)CC1 1519408404 HZGQLSMJLKAIQE-JYJNAYRXSA-N 425.555 1.423 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C1CCC1 1519450297 OQWSZNHTRRMDKX-KSZLIROESA-N 432.525 1.037 30 10 IDEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1532472394 PSUMOHWTVOQIGG-VLURKWGBSA-N 448.497 1.903 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1539155408 USWWBJLXUGXBLK-ZDUSSCGKSA-N 440.367 1.940 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539224385 GFQLWSWCGHCWDY-GHTZIAJQSA-N 436.578 1.443 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1539330770 BCTGGBATVLQGAE-SFHVURJKSA-N 448.518 1.219 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccc(F)cc2)CC1 1539430888 NKCWGQSHTWLGRQ-IAGOWNOFSA-N 448.568 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1539475973 PDBSHDNPHJKMGU-VQTJNVASSA-N 438.532 1.357 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(N)=O)CCCC2)CC1 1539481705 NBLQKSWCIQYIRZ-SFHVURJKSA-N 442.564 1.531 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539742471 DDSDVTLEPFZUFK-GHTZIAJQSA-N 441.580 1.855 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540864852 NDMLTHHOAWXHPV-ZBFHGGJFSA-N 445.520 1.480 30 10 IDEE CC1(C)SCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1542013906 OSGXWKFZKNENEM-ZNMIVQPWSA-N 425.580 1.441 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)s1 1543450523 BNDKLFJKIWMRBP-AWEZNQCLSA-N 434.605 1.571 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cncn1 1554327423 GGZYQAAOFYEVSR-ZDUSSCGKSA-N 432.286 1.067 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 1555388765 KPENVZBUIDRGHN-QLIIJSOBSA-N 427.505 1.597 30 10 IDEE COC[C@@]1(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CN(C(=O)OC(C)(C)C)CCO1 1556824414 GAXBHZONYVJGJA-VGOFRKELSA-N 446.504 1.585 30 10 IDEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCN(O)C1=O 1569564107 OIEXGZGUJJRZNV-OCCSQVGLSA-N 433.324 1.149 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC 1588083356 FNCWSKPOLKDYJS-KRWDZBQOSA-N 429.546 1.717 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)NC)C1 1589305527 RVPJHUHOQQXEAZ-KGLIPLIRSA-N 430.347 1.873 30 10 IDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1593894425 AUILJFTVMXWPGG-MRXNPFEDSA-N 449.968 1.787 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)c1cc[nH]n1 1595543068 YGKQFZBYAUACFC-SFHVURJKSA-N 427.505 1.647 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595562174 PNOUTVWBRDQXTJ-INIZCTEOSA-N 435.532 1.709 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1595602772 QQVBASKSABBYSX-QGZVFWFLSA-N 438.488 1.164 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1596831296 LJAURKYUPFFYRE-FUHWJXTLSA-N 439.582 1.609 30 10 IDEE CCCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1614980375 ZFSAQKVWBJLDTO-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1619387523 AIDBTDRJQMIPOQ-HXUWFJFHSA-N 431.518 1.243 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCn3c(Cc4ccccc4F)nnc3C2)CC1 1619799880 SRWVCHUBMYBFCA-FQEVSTJZSA-N 439.539 1.516 30 10 IDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268385 HMKLFWBTZKGJKM-UHFFFAOYSA-N 425.493 1.674 30 10 IDEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1632880428 PUJSCYSCZBMOJI-QURGRASLSA-N 425.441 1.685 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1633700961 BSRSNSHVHGUULY-POHZPAGDSA-N 440.884 1.164 30 10 IDEE Cc1nnc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 1635303109 GOEKARABUOFBCU-UHFFFAOYSA-N 434.547 1.014 30 10 IDEE CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512626 NJKONBCYWHAYQF-XXHMAFKTSA-N 447.513 1.455 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1638326735 INMVEKSBRZKROZ-UHFFFAOYSA-N 441.557 1.981 30 10 IDEE C#C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1 1638916638 GRBIKNGMIIVULY-HXUWFJFHSA-N 427.526 1.938 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC 1641567751 NSVIQXRMLZICTR-IHRRRGAJSA-N 432.901 1.976 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)CC1 1645718619 BCANHNWJQIOUOG-INIZCTEOSA-N 429.525 1.208 30 10 IDEE N#C[C@]12CN(C(=O)/C(=C\c3cccnc3)NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1648156113 VYRNGMORKCWHCX-MEBDMPHWSA-N 436.493 1.249 30 10 IDEE N#Cc1ccccc1OCC(=O)N1CCN(c2ncc(I)cn2)CC1 1648469177 WZJZGOJLJJDTHP-UHFFFAOYSA-N 449.252 1.680 30 10 IDEE COc1cc(OCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-] 1651220953 JAWKVTMWPZYSKS-UHFFFAOYSA-N 429.385 1.886 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](CO)[C@@H](CCO)C2)cc1 1655116889 QPBLWAAAVIILAE-ZWKOTPCHSA-N 426.517 1.836 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 1656936538 OQYWSYJZTFRLHQ-UHFFFAOYSA-N 447.557 1.996 30 10 IDEE COC(=O)COc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1657358633 HYAIAQIZQHGDDT-UHFFFAOYSA-N 429.498 1.617 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CCN3CCC(C)CC3)c2)CC1 1670002814 BHVOILBUAFSAHB-UHFFFAOYSA-N 447.605 1.578 30 10 IDEE C#C[C@H](NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1673330294 OFKPBZAOGPZQNK-HNNXBMFYSA-N 442.273 1.891 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1)C1CCOCC1 1687126157 HFEAJXKEOUGLIG-OAQYLSRUSA-N 428.533 1.779 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1689861596 XQCZRXZZRLDUKP-DLBZAZTESA-N 437.552 1.359 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCn2cnnn2)c1 1689870067 AOBGAPYORWWJCJ-UHFFFAOYSA-N 430.476 1.406 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NCC 1689948953 LHMKTNYWYMTRBQ-UHFFFAOYSA-N 445.593 1.778 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1689984394 OPTRTVCVFMHQHT-QGZVFWFLSA-N 428.518 1.760 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690169492 DVYREEGFUNSRLT-UHFFFAOYSA-N 429.594 1.630 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCN(C)C1 1690560484 VNTRYXHCOBOIGC-HSZRJFAPSA-N 432.532 1.809 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1692661955 GHPPPGQDKPSXGW-AEFFLSMTSA-N 439.582 1.752 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695894112 CMTKFNLNVFKBSY-PMACEKPBSA-N 431.585 1.319 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CCO1 1696962539 KOROZSFATBGVKG-IBGZPJMESA-N 446.515 1.665 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1698172556 WXBODUJOGOUIJQ-QZTJIDSGSA-N 434.541 1.524 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccncc2)nnc1N1CCC(F)(F)C1 1698520080 DBQANYRTAYTILM-ZCXUNETKSA-N 429.431 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1705475640 UGOKODPHADOLNK-HNNXBMFYSA-N 438.513 1.835 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1705489424 PETNOQMRGVUGQW-BTYIYWSLSA-N 427.530 1.444 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1705495518 RDRVITMQYIACTB-FRQCXROJSA-N 447.561 1.171 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1705509602 LDPCYDQKVPKFPM-UHFFFAOYSA-N 445.589 1.921 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705566357 MZFOPKWELCGUOB-GOSISDBHSA-N 449.621 1.942 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705567950 DGMALMDAHZZZKZ-ZWKOTPCHSA-N 430.578 1.813 30 10 IDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1705839202 RCKQACQKALCVCA-VZCXRCSSSA-N 436.472 1.865 30 10 IDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC)C1CC1 1705853605 DIMJXRXOOJWYLP-MRXNPFEDSA-N 434.541 1.877 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1705879758 KOUOYQIBMPVCJL-HNNXBMFYSA-N 442.563 1.053 30 10 IDEE C=CCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705893589 NMRIIVVQAVJTLU-QFIPXVFZSA-N 429.569 1.951 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705897571 OUCZBYTXEIXTIM-QGZVFWFLSA-N 442.568 1.999 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccncc1Cl 1706622648 UNPAJHGYHBSQRK-MRXNPFEDSA-N 428.928 1.690 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1706852796 GSEMLZWOIIVCNJ-YWZLYKJASA-N 448.549 1.202 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)C1 1706938955 XSRQNALZUXCANK-WZONZLPQSA-N 438.532 1.962 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1722316949 OXMGJTJFBHALRK-KRWDZBQOSA-N 433.578 1.575 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722365048 KBIHOVKVGTYYJI-MRXNPFEDSA-N 439.488 1.172 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(Cl)nc2)CC1 1722432539 ASEZVCJUPFJCNR-OAQYLSRUSA-N 430.940 1.782 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 1722443615 LLHDHHBRPYSNOW-UHFFFAOYSA-N 443.515 1.442 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722445181 SXKLSWXAHBYBHR-IUKKYPGJSA-N 447.580 1.519 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCOC2)CC1 1722445341 VHEDIGAKAJTPAT-ZWKOTPCHSA-N 433.553 1.395 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1 1722673632 YIXCCTPLQRRUGJ-UHFFFAOYSA-N 433.516 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722693607 UYTKBSKXXWTSDK-HXUWFJFHSA-N 430.896 1.932 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722703279 YHCPQGJGPMTANW-CQSZACIVSA-N 437.426 1.803 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCNc1ccccn1 1723935469 XEHCGMDVKMPJRZ-INIZCTEOSA-N 446.581 1.916 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1726674332 AVZHFPIWXHFQQF-UFOSLELVSA-N 425.518 1.808 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1740566426 GVSWRRLBPZUIJI-UHFFFAOYSA-N 431.504 1.846 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740639895 ZJHNUIHTNYYNJA-ROUUACIJSA-N 438.532 1.578 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740683435 GTYGNFCRKUWLRC-MJGOQNOKSA-N 446.577 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C)CC1 1740696561 XJTYLASWLVGHDQ-HXUWFJFHSA-N 427.574 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[S@](=O)CC)CC1 1740704223 MAWHSEOKHABXNG-SSEXGKCCSA-N 431.537 1.819 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1740773690 BCCYMBLRUMONET-OALUTQOASA-N 438.642 1.609 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1748678534 VLZUPDIRIRDJIQ-MSOLQXFVSA-N 425.533 1.830 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(OCCOC)CCOCC2)CC1 1748983790 DHILMCHMBQGKNZ-UHFFFAOYSA-N 442.564 1.251 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1748994238 VNFLKWJVBJWUTG-HXUWFJFHSA-N 426.590 1.944 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@@](=O)CC)C1 1749701312 SNUWLNMBADHPKP-OKXSDPAFSA-N 442.549 1.471 30 10 IDEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC[C@H](C3)C4O)n2CC(=O)NCC(F)F)cc1 1750381718 CEAFRFKRMMEEEB-MCPYQZEQSA-N 430.459 1.795 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(CCO)CCOCC(F)(F)F)o1 1750382069 AWJQAGAHOOUJKL-CYBMUJFWSA-N 429.399 1.673 30 10 IDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1751131306 DPSVIFJRQCUCKM-QLFBSQMISA-N 433.513 1.213 30 10 IDEE C[C@H]1N(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1752437799 LBBGSRSOCRKMBB-MEUCICPISA-N 439.520 1.814 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nncn1C 1760244111 XYNDMGPYWNZPCA-PXNSSMCTSA-N 439.495 1.958 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2ccccc21 1760249255 IUYIHMSBVBPKJS-RTBURBONSA-N 428.558 1.996 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCS(=O)(=O)CC2)CC1 1760381641 UQCXNDQBIWADNC-UHFFFAOYSA-N 430.534 1.907 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2)C1CC1 1760470386 PPLHBYZYUACSQY-AWEZNQCLSA-N 434.570 1.409 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1760495401 NFSIWDYQZBDXMP-MRXNPFEDSA-N 438.579 1.603 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCO[C@H](c2ccccc2)C1 1760514502 HMSZKGJHZRJTSV-SFHVURJKSA-N 426.521 1.687 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1760520557 RTNPWJBCWRFHAH-GOSISDBHSA-N 425.537 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760556655 LHRBGROZNQKTES-IBGZPJMESA-N 436.626 1.048 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1760655858 OUHBIUGEBCGKOU-LJQANCHMSA-N 426.521 1.568 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1766631540 MCNHTNYZOFGFTF-KRWDZBQOSA-N 428.493 1.545 30 10 IDEE COc1cc(F)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1768349416 FCBODQDTJZZZNC-XIKOKIGWSA-N 440.476 1.526 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N(C)C 1770039685 CNWLJROLCGGXHJ-QGZVFWFLSA-N 441.536 1.289 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1770158711 COTOQNMWSZLIFI-LJQANCHMSA-N 426.521 1.784 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)N1CCOCC1 1770205190 YSBNLRAWLHXJOD-OZIGNCPNSA-N 432.569 1.853 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)CCN1S(C)(=O)=O 1770672609 DPHHHQYPKICBJL-INIZCTEOSA-N 444.561 1.999 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1771113463 VYSLVJHMEALDLU-KNQAVFIVSA-N 443.552 1.844 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1771189062 SMTLNOCUXVEJSD-YWZLYKJASA-N 432.504 1.810 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1771348185 RXJCVTTVJDCLOW-OAHLLOKOSA-N 425.461 1.722 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1772887043 YJVGQVVESDEXQJ-KRWDZBQOSA-N 446.533 1.145 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cnc2c1C#N 1851349004 QSTUADRMMLLBNG-HXUWFJFHSA-N 446.467 1.342 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cn2cnc(C3CC3)cc2=O)cc1 1852104692 OHBWPIMKYPQMLF-HXUWFJFHSA-N 438.484 1.315 30 10 IDEE C=CCN(C(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)[C@H]1CCN(C)C1=O 1852209333 VTVGODGKIAAWBT-RBUKOAKNSA-N 425.595 1.301 30 10 IDEE N#Cc1ccc(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 1852409029 WOMFSZQYCBLLIH-UHFFFAOYSA-N 425.514 1.719 30 10 IDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)n1 1853244087 BOYILCWGDKBFCZ-UHFFFAOYSA-N 443.393 1.614 30 10 IDEE C[C@H](O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932138 VGRQDIUFQUCHAV-UGSOOPFHSA-N 426.498 1.315 30 10 IDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1F 1870106818 HUQFPZQOGLCRAV-UHFFFAOYSA-N 434.387 1.580 30 10 IDEE CN(C)CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)C 1870324638 TVRWILVVYPPRDU-UHFFFAOYSA-N 443.573 1.911 30 10 IDEE N#Cc1ccc(COc2cn(CCCN3CCCC3=O)c(CN3CC(O)C3)cc2=O)cc1 1870347773 SONIIDHKIKCWMV-UHFFFAOYSA-N 436.512 1.488 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)CCCC)cn1CCOCCO 1870515552 CKSAEBGWBFPFAF-UHFFFAOYSA-N 435.565 1.669 30 10 IDEE C=CCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(C)C 1873841087 LHZXTWSFKSHFDA-QAPCUYQASA-N 425.526 1.669 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1C 1889626656 UFLGDYGQTDEVGX-UHFFFAOYSA-N 435.590 1.424 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1895864815 RMMDBXZNOLTDTG-CAOSSQGBSA-N 425.526 1.683 30 10 IDEE C=C[C@@]1(CO)COCCN1C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2022249970 KQROOIWHRVJQGT-HSZRJFAPSA-N 433.549 1.789 30 10 IDEE C#CCCN1CCC[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2204035944 HMUPYWKUWOYWIJ-KRWDZBQOSA-N 431.558 1.716 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255656358 ZPETWXORAHEDPC-HIFRSBDPSA-N 434.346 1.847 30 10 IDEE C=CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN(C(=O)OC(C)(C)C)C1 2255839253 SRDYJYBEEYQXEL-UHFFFAOYSA-N 432.330 1.625 30 10 IDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256605807 OEDZZAOIXGQPEU-CQSZACIVSA-N 439.293 1.998 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267500551 KMNIKGUGFOHVJS-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCc2nccn2Cc2ccccc2)n1 2267501854 DRAFKFNGRJRATJ-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CCC2)n1 2267549585 NKFJSQRCJFTBDE-UHFFFAOYSA-N 449.361 1.682 30 10 IDEE CC#CCN(CC(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300538620 HEDKZTGPPWKCNG-IAGOWNOFSA-N 439.553 1.981 30 10 IDEE CCOc1nc(NC(=O)Cc2cc(OC)c(S(C)(=O)=O)cc2OC)cc(N)c1C#N 14960076 UIRLFLOVKAOFEX-UHFFFAOYSA-N 434.474 1.536 30 10 IDEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105285181 HPMRQCBRCGGMKB-INIZCTEOSA-N 427.530 1.992 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/CCO)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920783 ADHLLVLYTWRLEA-NRBSRBOSSA-N 447.572 1.762 30 10 IDEE biogenic C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1 433955600 PEHVUFPUGKPWMW-UHFFFAOYSA-N 428.514 1.247 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 440852489 IBNRDOTWAZVGKK-AWEZNQCLSA-N 442.476 1.320 30 10 IDEE C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)C1CCOCC1 481219844 HDHPQEGTMFIIJM-DYVFJYSZSA-N 437.543 1.381 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 481536851 USUGWIFOTXSCIX-VQIMIIECSA-N 429.498 1.531 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 482550882 CDVNUYADHLOICM-IFXJQAMLSA-N 444.488 1.281 30 10 IDEE N#CCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 503610290 LWZPVJUSRUXGAJ-UHFFFAOYSA-N 438.937 1.325 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)cc1 508633612 CCEUABCQPXGWRZ-ICSRJNTNSA-N 439.516 1.334 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 513008157 BTMSRNMAPBKTMY-FQEVSTJZSA-N 434.949 1.715 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)CC1 531524734 ZGKNHPAEWONLCS-IBGZPJMESA-N 430.549 1.540 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1=O 543974797 AIZUAUVSFYTBDA-UXHICEINSA-N 435.532 1.331 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 549530718 XILPOVZEBYXPPI-OAHLLOKOSA-N 431.583 1.422 30 10 IDEE CN(C)C(=O)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CC1 550038975 SBJRCGKQQIRIFN-LJQANCHMSA-N 437.548 1.454 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 554798630 FZZDPVSANOUYJQ-UHFFFAOYSA-N 438.469 1.258 30 10 IDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)C1 586859161 UOEIYJAHWVPWKS-VQIMIIECSA-N 443.523 1.153 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 586864610 ZUZSYWXUCICUJQ-UHFFFAOYSA-N 432.477 1.059 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 590915108 WPCWNGIEOBPZPP-HNNXBMFYSA-N 447.507 1.642 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1-c1ccccc1C 611492410 FUPXAZZXZQFQMY-UHFFFAOYSA-N 438.440 1.504 30 10 IDEE C#CCN(C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 729335503 QEDCJNMLIROQJX-MNOVXSKESA-N 433.349 1.278 30 10 IDEE O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCN/C(O)=C1\N=CC=CC1=O 731886705 CNDJEQGMOUPMBK-FMQUCBEESA-N 429.521 1.287 30 10 IDEE CCC[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCc2sccc2C1 735856347 FZEYBWCJOXRDGG-MVZUJROASA-N 430.530 1.834 30 10 IDEE C[C@H](CC(=O)N1CCC[C@H]1C(=O)Nc1nccs1)/N=C1/NS(=O)(=O)c2ccccc21 742521994 MBANBDPCTXKSPH-OCCSQVGLSA-N 447.542 1.590 30 10 IDEE C[C@@H](OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)Nc1cccc(C#N)c1 755186966 OWBWZQBSIJJEQQ-RHSMWYFYSA-N 444.488 1.944 30 10 IDEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 760626201 IOYFEMHKANIZFA-YOEHRIQHSA-N 444.513 1.189 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)n1 760775883 XIKUWLWYKGWZFE-QHCPKHFHSA-N 435.484 1.687 30 10 IDEE Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1S(=O)(=O)NCC#N 763789455 ZRLKYZZYLHVWMA-IRXDYDNUSA-N 433.486 1.355 30 10 IDEE C#CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)[C@@H]1CCS(=O)(=O)C1 769716498 KTSVSOLSFOMFKL-GFCCVEGCSA-N 434.392 1.766 30 10 IDEE C#CCN(C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774163221 DSWHLFULXJJYOR-VQIMIIECSA-N 439.965 1.545 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)[C@H]1CCS(=O)(=O)C1 774221357 WUSNBYWITRYNLL-ZBFHGGJFSA-N 445.463 1.996 30 10 IDEE N#Cc1cnn2c(O)cc(COC(=O)c3cc4c(cc3Br)NC(=O)CO4)nc12 784644047 QZLCMKRVGOVEFE-UHFFFAOYSA-N 444.201 1.757 30 10 IDEE C=CC[C@@]1(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790323653 CBYVWSKTGYIRGH-BEFAXECRSA-N 430.571 1.364 30 10 IDEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 798362922 NYCQFUJNUZIHAY-NWOXGCMFSA-N 429.590 1.650 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cnn(CCOC)c2)C1=O 799862394 ZIEBHHFDMCJJNL-KRWDZBQOSA-N 426.502 1.669 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)CC1 813389628 OENKBKYQJVDDTJ-IBGZPJMESA-N 448.486 1.622 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cn2)C[C@@H](C)O1 915651762 VAAMNYYWYGTKBI-HUUCEWRRSA-N 443.529 1.050 30 10 IDEE CC(C)C(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916714902 LGNIGPIKOYWGQZ-RELWKKBWSA-N 435.550 1.832 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 917930134 LUWWZMNGNMUIHN-UHFFFAOYSA-N 442.925 1.569 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)c1 1084057123 UASLFMCHLBMJGR-UHFFFAOYSA-N 442.505 1.971 30 10 IDEE CC(=O)NCc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1136149794 ZBEBSCGTGSCIMV-UHFFFAOYSA-N 426.498 1.341 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 1136215057 XFDORRKCPMKRKR-HZPDHXFCSA-N 430.571 1.751 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(c2nc[nH]n2)CC1 1143874633 FJIPNYMNWASYBT-GOSISDBHSA-N 437.504 1.859 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)c1ccccc1Br 1161724186 DLMQGFOTRPKUJW-CQSZACIVSA-N 438.303 1.337 30 10 IDEE COc1ccc(NC(=O)CN2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCCCC1 1198210080 CZFAKPNZJAJWCT-HXUWFJFHSA-N 436.534 1.423 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1286280199 UUXQXBIZKRIHDU-GFCCVEGCSA-N 443.451 1.485 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286356592 RVZQEVXASJXTKE-IBGZPJMESA-N 445.593 1.557 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(C)=O)nc1 1286469678 WYVBOVXBYFHUBB-UHFFFAOYSA-N 436.520 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1286494780 RBOXKIPSLUBMIU-UHFFFAOYSA-N 433.578 1.164 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286564488 GQQYXDLUAUHVSR-FGSXEWAUSA-N 433.553 1.613 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1286607771 KAYVJWPOPOFQBB-SJLPKXTDSA-N 436.534 1.944 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1286749250 OAPZOXLPQCHNOB-YWZLYKJASA-N 449.602 1.913 30 10 IDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1Nc1ccn(C)n1 1286791244 WDXWRMGQZOYGRE-UHFFFAOYSA-N 449.563 1.422 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)N(C)C 1288672844 FJWJZVBLWDQOQA-UXPWSPDFSA-N 437.548 1.926 30 10 IDEE Cc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1289642749 CXPDBPMUYUGCPW-UDJKBAMHSA-N 426.477 1.846 30 10 IDEE Cc1cc(CN2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CC2)on1 1290969787 CCPPTUYGBZGTOY-UHFFFAOYSA-N 438.492 1.548 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccncc2)CC1 1296288712 HNDSTGUEAORJFM-UHFFFAOYSA-N 444.543 1.713 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1296339823 RDEQANGFZHPXGT-GOSISDBHSA-N 441.517 1.295 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 1297502066 HXOQHTKHAQSPAH-UHFFFAOYSA-N 437.315 1.946 30 10 IDEE COc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1300083295 IVUVSOCJSPBZON-DSGGYQJVSA-N 438.488 1.705 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300356207 AFYOSAOSLFJVEE-HNNXBMFYSA-N 448.549 1.327 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1300671205 DVINZONGPQYNEJ-SJORKVTESA-N 432.550 1.040 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1300725642 IVXLKPASJKMNBH-FPOVZHCZSA-N 442.608 1.870 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301189408 VSZRDMXWRCMTDY-RTBURBONSA-N 437.610 1.838 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1301424372 JXCLTNNXJLZIRP-IAGOWNOFSA-N 440.566 1.362 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 1301526120 MJMXMSWCBVUNBX-FPOVZHCZSA-N 441.532 1.736 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301609369 HRRLQDKURALFTP-OAHLLOKOSA-N 430.534 1.704 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc4c(=O)n(C)c(=O)n(C)c4c3)n[nH]2)c1C 1303877019 MLCBFGWUHXDGOY-UHFFFAOYSA-N 433.472 1.879 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCCS2(=O)=O)cs1 1304670547 RDOXNKKNYORAGW-LJQANCHMSA-N 449.606 1.799 30 10 IDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1307028126 OBNIHKVHRZCGRF-IBGZPJMESA-N 437.504 1.905 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OC 1309863634 LFRXPONGMNFHFJ-LLVKDONJSA-N 447.307 1.956 30 10 IDEE CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315044109 BAOBMYMMJVYKMW-UHFFFAOYSA-N 446.515 1.683 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315736142 VABKHWBMJZBYKL-PSZLUKMESA-N 430.509 1.517 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 1329246024 CXYRXZWBLAGUDG-IUDBQGPFSA-N 431.415 1.146 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 1352631780 SNUSQPCUQZVSJI-UHFFFAOYSA-N 429.458 1.246 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1358871083 ZOKUGJCZPQGZBH-MRXNPFEDSA-N 433.520 1.944 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1358895623 NEPAYADYMIBIGN-QGZVFWFLSA-N 441.557 1.679 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1358941174 AIHOFHNHRQIQOS-NRFANRHFSA-N 427.530 1.429 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1358949596 IFHPAHXOBNUQJI-IIBYNOLFSA-N 437.541 1.443 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1358959598 MALOBXKQEVTHQJ-AVRDEDQJSA-N 446.573 1.668 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358964491 ZYPCRNUPTBMUBW-SFHVURJKSA-N 443.573 1.641 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1358994669 TTZQPKRCIJYLSF-KZNAEPCWSA-N 437.541 1.212 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1 1359018040 AXRKVXFOSVAYKB-UHFFFAOYSA-N 427.505 1.666 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(N(C)C)CCOCC2)CC1 1359037776 XEFCOOCWOAYOBN-UHFFFAOYSA-N 443.621 1.500 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359121307 HSSDNSHPVRYJOC-SFHVURJKSA-N 429.569 1.376 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1359300097 UDOAZGLGRVZMPG-CVEARBPZSA-N 428.493 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359336470 QUPBEDKQGKVNPI-ZWKOTPCHSA-N 449.581 1.780 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359412616 BZGJBTCQIHLWTI-VZCXRCSSSA-N 441.536 1.565 30 10 IDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)Nc2cccc(N3CCCC3=O)c2)c1=O 1459085810 GDBXSEVMURPYKJ-UHFFFAOYSA-N 435.484 1.318 30 10 IDEE N#Cc1ccc([C@H]2CN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1460860623 PUQFZMVGKSQLPU-OAQYLSRUSA-N 442.541 1.328 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2[C@H]3c4cccc(Br)c4C[C@H]32)CC1 1464851619 ZORBGISVGIPZST-LSTHTHJFSA-N 430.346 1.619 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 1471938227 GKPWTINQKADVDN-UHFFFAOYSA-N 435.454 1.573 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCOCC(F)(F)C(F)(F)F)c1=O 1473069112 FVRGNFHZVLIHBL-UHFFFAOYSA-N 427.326 1.438 30 10 IDEE Cc1nccnc1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1492715794 LMEBRPHEBADZIW-UWJYYQICSA-N 427.509 1.389 30 10 IDEE CC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1494828498 IIJGYJJHGTUEKW-JOCHJYFZSA-N 436.520 1.836 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1503274092 OKQGYWHLLMIQEI-QGZVFWFLSA-N 446.533 1.145 30 10 IDEE CNC(=O)CCn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@@]1(OC(C)C)CCOC1 1503819704 NDJMJUCDVHIMHG-JOCHJYFZSA-N 426.521 1.963 30 10 IDEE CO[C@@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1504046504 GDLKFLIHNGZKOY-FOIQADDNSA-N 448.549 1.202 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(OC)cc1 1505081123 DDQYCPFBXBXPFM-VDGAXYAQSA-N 443.504 1.818 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507556737 DKRKTLFSOSNNPF-KRWDZBQOSA-N 443.529 1.793 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507588793 ANEPASTXBUSSOT-UHFFFAOYSA-N 441.605 1.792 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1507629932 RADADKFSIYHEAT-VQTJNVASSA-N 437.525 1.789 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507636082 YMGQZWCWWUJCBE-GOSISDBHSA-N 434.587 1.984 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cnnn2)CC1 1507733479 ZYYGKHUFTPICLR-QZTJIDSGSA-N 427.557 1.029 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508135928 CNEYYILNZWQGNP-FQEVSTJZSA-N 449.508 1.716 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508160824 XGCNSOCXOBLUKF-HZPDHXFCSA-N 429.612 1.609 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 1508167732 PGDSUUPTTNUPKY-UHFFFAOYSA-N 427.596 1.333 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1508185427 HPKJZIPCQAVPCB-HXUWFJFHSA-N 439.564 1.700 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)o1 1510830267 SGTSAINZCUCTBF-HOTGVXAUSA-N 436.463 1.931 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1513195947 FQERXOHRSXSHAW-KRWDZBQOSA-N 448.531 1.890 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1517123971 FSAFDLGAPFVAPW-QZTJIDSGSA-N 431.518 1.104 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1519529798 UYCSKROJJODSMC-XEWABKELSA-N 445.545 1.371 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)Br)CCO1 1521122331 VMLIRLSZUXYCAM-JTQLQIEISA-N 442.224 1.642 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(C#N)c(Cl)n2)C1 1534588523 KRNHECCLONSIDG-CYBMUJFWSA-N 442.925 1.761 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)cc1 1536573980 RPMFTGNOYZKUQE-LJQANCHMSA-N 432.546 1.790 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCOCC1 1539001708 IETYMAGTLGGFQV-GOSISDBHSA-N 433.516 1.838 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1539031657 MTBHDPOQAARONL-OAHLLOKOSA-N 436.509 1.394 30 10 IDEE C#CCCCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139366 DHTYETKFXXNMEQ-JOCHJYFZSA-N 433.553 1.464 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCCCC1=O 1539176899 VBBLRHKCULASJM-UHFFFAOYSA-N 436.564 1.924 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1539200469 IOUBJIPMHANBDB-GASCZTMLSA-N 425.555 1.553 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCOC)CC1 1539434667 RZRGBSFZVGYHAU-UHFFFAOYSA-N 437.342 1.454 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539614632 AWTREFCBNDLHJO-MANSERQUSA-N 448.568 1.539 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1539752384 LPYNANMXWKHAEX-LJQANCHMSA-N 429.521 1.421 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)C(C)(C)C)CC1 1539849388 WRKQZCABMZRLTM-HNNXBMFYSA-N 430.596 1.550 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1540027429 WMNQJWGNNPTNOT-QUCCMNQESA-N 429.569 1.818 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540033799 PSWRJYIBQKRHPM-INIZCTEOSA-N 444.496 1.768 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1540084090 NBAOLTTWUXFEJO-LJQANCHMSA-N 428.585 1.705 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1540874169 XGTJBQGIDDPUIF-OAQYLSRUSA-N 438.576 1.524 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2cccnn2)CC1 1540874849 UCJCJLBWOQUQIR-UHFFFAOYSA-N 448.531 1.584 30 10 IDEE C=CCSCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1540922440 OEGYTFUAFIMYPC-LLGFUMIMSA-N 435.594 1.812 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)S(C)(=O)=O 1541123020 JNEAFZXZKWUCPT-JTDSTZFVSA-N 447.561 1.880 30 10 IDEE CC(F)(F)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541895560 DCKBFUMZBKQHAD-HNNXBMFYSA-N 430.463 1.868 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 1542894738 KCULJCSQDDYEIQ-WZONZLPQSA-N 432.565 1.307 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)C1 1555985555 QVNFSQGRRHWALL-GCJKJVERSA-N 426.496 1.973 30 10 IDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 1557796355 BYUQESCLSDVBIB-IAGOWNOFSA-N 445.522 1.177 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)CC1 1558073483 UPSZFJNXBXZBCW-UHFFFAOYSA-N 447.463 1.421 30 10 IDEE N#C[C@@]12CN(Cc3noc(Cc4ccc(Br)cc4)n3)C[C@H]1CS(=O)(=O)C2 1560168452 LUWAPFCROPOVGM-GUYCJALGSA-N 437.319 1.793 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1)C(=O)OC 1561512030 LBQGDHLQTITLDY-CYBMUJFWSA-N 425.381 1.515 30 10 IDEE CN(C)C1CCN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2F)CC1 1565579021 FIXMHOXGNVFGQI-UHFFFAOYSA-N 428.468 1.519 30 10 IDEE C=CCOC[C@H](NC(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1)C(=O)OC 1568154382 HQNNUSGWGBUJNK-INIZCTEOSA-N 440.537 1.779 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(n2cc(N(C)C)cn2)CC1 1569685265 IRVMWXXAIKUXKY-HNNXBMFYSA-N 430.534 1.351 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 1584873252 DAVQVHXLOQWARP-OAHLLOKOSA-N 434.468 1.676 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1587414780 QEZIJJIQIVOZLO-CABCVRRESA-N 426.491 1.317 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1587500963 MURSDTJXLKXEGK-CYBMUJFWSA-N 426.857 1.742 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1588024314 AEPGPSIPOBFRAD-KXBFYZLASA-N 439.607 1.329 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1COCCO1 1588089355 JLXWJOZXJJCWPY-QGZVFWFLSA-N 442.545 1.035 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1588194431 WCCYIJBELOIFTO-UHFFFAOYSA-N 442.541 1.353 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H]1COCCO1 1588613375 YQSBDGVFMKZEAA-SFHVURJKSA-N 428.489 1.608 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCSC2)n1 1588724004 SFMIBKZWEXXCIA-AEFFLSMTSA-N 443.577 1.465 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1593660664 RGPHFWYATFRSCT-SFHVURJKSA-N 443.596 1.546 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1594448809 MVKHPROVQLXKAI-KRWDZBQOSA-N 445.612 1.808 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2c(ccnc2O)C1 1595467370 SMDAKEIOYMYSHU-UHFFFAOYSA-N 427.509 1.162 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1595475198 BNDGWWHEOHRRDW-OAHLLOKOSA-N 446.483 1.748 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595475498 DCGBPCGIRHVCDY-OYHNWAKOSA-N 442.495 1.576 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595537207 NQKDQXVEBCQSQK-QGZVFWFLSA-N 449.515 1.865 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)C1 1595743727 FDVRNLHEKFKAJE-SJORKVTESA-N 447.561 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](COC(C)C)C1 1595789209 PKALSBDTTGHUMO-SFHVURJKSA-N 449.577 1.880 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595798704 SHEZHVFIONNQGP-QLFBSQMISA-N 426.495 1.235 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1595823970 UPOLXIOCQYJWQS-UHFFFAOYSA-N 437.610 1.916 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3COC4(CCOCC4)O3)C2)C1 1597892438 HCWODMKQYPFLJJ-GWWPLSDWSA-N 435.521 1.812 30 10 IDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607489211 NZBPHGIIORZUKH-IFXJQAMLSA-N 435.484 1.203 30 10 IDEE C[C@H](CC(=O)N[C@@H](c1nccn1C)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1608096494 LXLXWLTWWYQRCW-YGRLFVJLSA-N 429.424 1.657 30 10 IDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCS(N)(=O)=O)C[C@@H]1C)C2=O 1615243575 GUPIXKIELZCNGO-YYSFKGJASA-N 444.893 1.042 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3cnc(O)nc3N)CC2)CC1 1616494090 QTCGVXYJGDPVLC-UHFFFAOYSA-N 430.509 1.064 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1618251879 GBGRTVVAVKNBNQ-UHFFFAOYSA-N 446.577 1.850 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1619614831 QTDHXOOBRAIVND-FUHWJXTLSA-N 427.484 1.842 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 1621495171 MPRRMLNWSHSFAG-UHFFFAOYSA-N 429.333 1.159 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)C2)C1 1624841385 SQMHATOJHORHIC-OWZZFKGZSA-N 437.537 1.982 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C1 1634554660 FYBQHPVONZMAIG-KRWDZBQOSA-N 425.501 1.579 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1635310697 NGJFGAKONKLMRB-NVXWUHKLSA-N 428.576 1.852 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)CC1 1635679564 FRADBFPAUXWRAG-NVXWUHKLSA-N 429.868 1.063 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1nn(C)cc1OC 1635858490 XFADMCLKNKQPOX-ZFWWWQNUSA-N 433.534 1.903 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCN(CCC#N)CC1)C(=O)OC(C)(C)C 1635905465 ACMCVNNRFXSMSR-UHFFFAOYSA-N 439.557 1.806 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 1636401905 CUUDKLBPUCLQAW-KRWDZBQOSA-N 435.546 1.786 30 10 IDEE Cc1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 1644005380 CHWWBUNTCJKBDJ-HZPDHXFCSA-N 444.513 1.465 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C)[C@H](CO)C3)nnc12 1654744053 VOEGUTRWGIHHTJ-CABCVRRESA-N 427.530 1.799 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCC(=O)NCCN1CCCCCC1 1655498258 DXJJFELEOWOFNO-UHFFFAOYSA-N 443.367 1.591 30 10 IDEE CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc2CC1 1655921994 OWWBHWSAJWXDEV-JOCHJYFZSA-N 427.526 1.859 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 1660200751 FOULLMCNWUODCB-LJQANCHMSA-N 449.577 1.494 30 10 IDEE CCN1CCN(C(=O)CC2CCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)CC2)CC1 1662119580 GQBKPELTNHRYGA-UHFFFAOYSA-N 436.553 1.961 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 1665265353 QOLOWTKHEHXQPR-DOMZBBRYSA-N 433.452 1.680 30 10 IDEE C#C[C@@H](NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1669427542 PHZVBRLBJVFBJJ-SWLSCSKDSA-N 435.365 1.324 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689833491 KRXJGQKZSTVKMZ-UONOGXRCSA-N 449.353 1.989 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)Cc1ccon1 1689949977 YMNZZAFQUGSBNF-UHFFFAOYSA-N 434.909 1.776 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689993584 HMMMLWRECHXXDC-NZSAHSFTSA-N 429.546 1.316 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1690571809 JRNUJYITFSLTPN-HSZRJFAPSA-N 442.539 1.799 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)C1 1690696390 BCUJZRJVKGNJPH-HOTGVXAUSA-N 437.566 1.368 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOC1=O 1691083261 WUSCSTAYUSLSPP-UHFFFAOYSA-N 425.493 1.953 30 10 IDEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1691463130 CRECNBWXXSZVRL-GOSISDBHSA-N 447.547 1.982 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)o1 1698488094 JSDNBEMOWWVWNM-OLZOCXBDSA-N 438.410 1.800 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1705476426 ACQYSQFBKQJUCT-ZIAGYGMSSA-N 438.554 1.698 30 10 IDEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1705511606 ZRVOYFJHHFREQW-HNNXBMFYSA-N 435.326 1.790 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1705574703 LEPUHSRFLGYZRW-QHCPKHFHSA-N 429.565 1.502 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705618252 ZDDYDMMTBQEYFA-NRFANRHFSA-N 432.546 1.429 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@H]1C 1705629551 MBCBRWREKQAJIE-LJQANCHMSA-N 437.548 1.323 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](COC)C1 1705698465 UUIFTMIEYZCAHP-MLHJIOFPSA-N 441.598 1.732 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1705700845 YZUNFEALVGTBHU-TVFCKZIOSA-N 439.582 1.438 30 10 IDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705810113 NUSYEZDJZUVCII-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1705885589 XUIRUQUPNYQDDJ-APWZRJJASA-N 448.545 1.864 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1705901083 ZZNVWHQHTRMTOL-GJZGRUSLSA-N 437.504 1.108 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C(N)=O)CCOCC2)C1 1705922389 MDYYXPRLQAZEIH-KRWDZBQOSA-N 426.521 1.712 30 10 IDEE CC(C)(O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1706198285 KMMVQBZFPAPREE-IERDGZPVSA-N 447.536 1.898 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1708336927 FCDIFOKIDWZPDY-STEAMIEHSA-N 426.587 1.815 30 10 IDEE CCCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1709669150 DMUPTZTVOVZSQQ-IBGZPJMESA-N 426.521 1.975 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1710984926 HXUJBAICPHSKCJ-QGZVFWFLSA-N 430.534 1.308 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1711014903 IUSXTXHNQFSXCG-GOSISDBHSA-N 425.493 1.036 30 10 IDEE COC(=O)N1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CC1 1711463975 DDYCCDYFJDEPEQ-UHFFFAOYSA-N 429.525 1.732 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)c(OC)c1 1711757369 UYMLKJWDQINBNS-OAQYLSRUSA-N 432.500 1.982 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC 1722276757 JHTINUXJNYPTDA-HNNXBMFYSA-N 446.577 1.426 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1722316443 ICJZSLGXBUPYNT-HZPDHXFCSA-N 427.596 1.356 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1722332149 DSHFNSPKHMJZQS-KRWDZBQOSA-N 436.538 1.266 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)COC)CC1 1722335458 DLLXWFYOBPFAPQ-UHFFFAOYSA-N 428.493 1.151 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1722341888 FOROBMCCMFWQHU-PBHICJAKSA-N 438.985 1.914 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722617863 NEWLRKXIQAYJLU-OALUTQOASA-N 437.610 1.695 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722728230 SRYZYAHYYLHORR-CVEARBPZSA-N 446.533 1.184 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1F 1722862953 FZVISWHKYIIDKC-QWHCGFSZSA-N 425.490 1.097 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1722999281 MHFZJKTZIWCHKA-FQEVSTJZSA-N 435.504 1.757 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1723936863 MEQWNVVHHDCQOB-AUUYWEPGSA-N 434.522 1.408 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1729168527 QSKUONKMYMYROU-HSZRJFAPSA-N 439.564 1.042 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1729698757 HBMCROODOQUFNY-SFHVURJKSA-N 444.561 1.746 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[C@H]1C 1730387409 LOCYJRGPDVNQKE-FQELHTAISA-N 445.545 1.228 30 10 IDEE COCC1(C)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1730502612 FLSRPHAYIPLTCS-KDDVOAFDSA-N 444.536 1.909 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H](C)O1 1730592814 GMZHMTNJFVHBNN-SNRMKQJTSA-N 438.532 1.972 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1740532891 MMPAWDRVWLSGQR-HOTGVXAUSA-N 427.534 1.580 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740624183 DHSTZVSYHRWRMS-IBGZPJMESA-N 439.545 1.155 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1740692664 NVSUKEFZZWPXRH-DHIUTWEWSA-N 431.581 1.627 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCn1cc(CO)nn1 1740726321 XLWQAQBDPSGMDK-RTWAWAEBSA-N 429.525 1.096 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC(C)C 1740726619 GXMRPNNIILCXQW-OAQYLSRUSA-N 429.546 1.865 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740987998 QPVUDEIFLHJJLN-CQSZACIVSA-N 448.505 1.121 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740989571 RHAPRIATQPYAEJ-FIKGOQFSSA-N 447.561 1.714 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1744502825 DNZPEQVLDNBBRD-HNNXBMFYSA-N 426.525 1.149 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1748820475 CJRLLTLQWKLLPV-MRXNPFEDSA-N 447.586 1.349 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1748847549 VDXSVYDSODVJNZ-FQEVSTJZSA-N 426.542 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2nc(C)no2)CC1 1748979140 VPMMNCQYVCZLEJ-JOCHJYFZSA-N 443.552 1.398 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1748991417 WNDBPVAPVPKRPF-ROUUACIJSA-N 445.568 1.145 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NCCC)CC1 1749016695 KZAPBPVZDLUJBQ-UHFFFAOYSA-N 436.560 1.669 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749037836 GQXPVAOXAPVSKF-STQMWFEESA-N 438.497 1.314 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1749097557 CRGGDJUVSVEJDG-UONOGXRCSA-N 428.331 1.768 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1749115083 LBHMKJXMNVRONJ-MOPGFXCFSA-N 442.568 1.906 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCNS(C)(=O)=O 1749124988 SFIAOPVERJUUQA-IEBWSBKVSA-N 449.577 1.920 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749232485 MLFZGNZHTMESJR-NRFANRHFSA-N 431.562 1.872 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1750078035 YVCSRQYKHHFUSO-OWCLPIDISA-N 431.518 1.616 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1750966065 BHIVMEZRLFTNTG-IEBWSBKVSA-N 445.568 1.036 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1760155117 QDSWSORQGCPJJQ-IAGOWNOFSA-N 441.623 1.746 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1760244334 QVEBKOZLNLYWFZ-QFIPXVFZSA-N 433.553 1.275 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCCCC2=O)CC1 1760271641 FFCYNCKYEPRRRG-UHFFFAOYSA-N 426.565 1.599 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760276272 YLBGSIWXMBRKTB-MRXNPFEDSA-N 435.531 1.843 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)COC)CC1 1760302279 YLBUEWFZVHJBET-AWEZNQCLSA-N 446.346 1.206 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(CCOC)c2)CC1 1760397284 PZHKPIQNOBZDQO-OAHLLOKOSA-N 437.570 1.182 30 10 IDEE CC(C)(O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760818432 PKNSHVIRVIRVDH-XHSDSOJGSA-N 434.541 1.939 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1768972322 BGJQKDLLBCNDGP-SFTDATJTSA-N 430.484 1.374 30 10 IDEE CO[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1769605591 OVGXUELHCZQJPN-JKSUJKDBSA-N 438.458 1.823 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1772564705 XUVDYGWXBFVBFF-WMZOPIPTSA-N 446.577 1.471 30 10 IDEE COc1ccc(Cn2c(C3CCN(C(=O)c4ccnc(C#N)c4)CC3)nn(C)c2=O)cc1 1850872594 JHJHWNLQMKLALV-UHFFFAOYSA-N 432.484 1.925 30 10 IDEE COc1ccc(N(C(=O)CN2CCN(C(C)=O)CC2)c2nccc(N(C)C)c2C#N)cc1 1851248171 WJJUOPXBYXRIGR-UHFFFAOYSA-N 436.516 1.857 30 10 IDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)NCCN2CCCC2)cc1 1851728429 KEKIVPZDSBMJOR-OAQYLSRUSA-N 426.542 1.660 30 10 IDEE C#CCCN(C)CC(C)(C)C(=O)NCc1c(C(F)(F)F)nn(C)c1N1CCOCC1 1852863267 YBHJRZNEVWDFPE-UHFFFAOYSA-N 429.487 1.873 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCN1CCC#N 1856193504 PNJPGJMAHZHSHB-HZPDHXFCSA-N 436.509 1.199 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862179634 PDQCSEGRAGQCLE-FUHWJXTLSA-N 427.501 1.922 30 10 IDEE N#CCc1[nH][nH]c(=NC(=O)c2cc(=O)c3cc(I)ccc3[nH]2)c1C#N 1866530123 KQKBBQCPWIAABN-UHFFFAOYSA-N 444.192 1.468 30 10 IDEE CN(CCO)C(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869928018 MRPVRZDCFGKPDS-QGZVFWFLSA-N 433.555 1.478 30 10 IDEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN(C)CCO 1870356406 NMGWMVKCXWCCNU-UHFFFAOYSA-N 425.570 1.510 30 10 IDEE C#CCOc1cn(CCCCCCO)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870562647 PQIKRIGNKJBQOO-UHFFFAOYSA-N 425.533 1.525 30 10 IDEE C=CCn1c(C(=O)NCCOc2ccc(OC)cc2)cc2c(N(C)CCO)ncnc21 1873595385 ALUDEWGQWROUAW-UHFFFAOYSA-N 425.489 1.863 30 10 IDEE CCCn1c(C(=O)N2CC=C(c3cncc(C#N)c3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1891131459 QGXSCCACMLXVGR-UHFFFAOYSA-N 432.484 1.645 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC1(S(C)(=O)=O)CC1 1902436988 XJXDQOUWLQQHDS-RTBURBONSA-N 436.574 1.953 30 10 IDEE C[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCS1(=O)=O 2116138148 IOBRQPGQWLJBIN-NSHDSACASA-N 431.161 1.767 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128735153 VUHIHJQDFPYQDX-ROUUACIJSA-N 446.353 1.972 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255632182 JROJGESRTJXTLZ-QFIPXVFZSA-N 426.326 1.076 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255652537 WDFGMCMIYUOMSI-OAHLLOKOSA-N 432.330 1.905 30 10 IDEE Cc1nn(C)c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255822379 MEUKJBSVZJNUPA-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256616892 FRTIRQLGALJZAZ-CYBMUJFWSA-N 437.302 1.791 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256678172 BEZDWFQQUPEVEE-ZDUSSCGKSA-N 439.293 1.734 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2260827848 PSYXIQUUDYLFMT-YFYYJQLKSA-N 438.330 1.694 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267013761 OVFPKVDZFYHOLX-MRXNPFEDSA-N 449.357 1.738 30 10 IDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267269572 GAWPMZZYBHXRMO-QGZVFWFLSA-N 439.369 1.851 30 10 IDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H](C4OCCO4)C3)c2)OC1(C)C 2267715698 BBFRYNUACWVNJK-ZDUSSCGKSA-N 429.369 1.821 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870193 BEAZZECRUXNAQX-QLFBSQMISA-N 444.341 1.904 30 10 IDEE CC1(C)OB(c2nc(=NC(=O)c3cccc(Br)c3N)s[nH]2)OC1(C)C 2271352361 UGQPFMKFYSHTCP-UHFFFAOYSA-N 425.117 1.856 30 10 IDEE Cn1nc(C(=O)N2CCC(C3OCCO3)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282555644 WOAXWPNFDNHVNB-UHFFFAOYSA-N 425.722 1.598 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2317606628 YATAARLWUFLLQQ-OAHLLOKOSA-N 435.330 1.650 30 10 IDEE CN/C(=N\CCCO)S[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 59490308 FDZPHFRMYDOPBW-LBPRGKRZSA-N 447.298 1.614 30 10 IDEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 103122404 AOBPUXBBHWEYFX-FXBHHXAOSA-N 431.466 1.965 30 10 IDEE CN(CC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)nn1 110526205 MJTCFBHEPYVFEA-UHFFFAOYSA-N 425.836 1.805 30 10 IDEE CN(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1 437512062 HWARFTMYHIVADI-LJQANCHMSA-N 427.498 1.824 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 440034575 FTJWSYJJKURCDJ-KRWDZBQOSA-N 429.539 1.854 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1S(=O)(=O)NC 442975503 UQFPBJRDKSRCFG-UHFFFAOYSA-N 425.488 1.880 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 470288652 UFQNDTKMGAABRP-SFHVURJKSA-N 441.498 1.938 30 10 IDEE CCC1(CC)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O 470609678 XDRLFQPWOHBAFP-ZOKDDAQRSA-N 430.530 1.913 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(C(N)=O)cc2F)CC1 475775815 UYCOYBBCJZDIAW-UHFFFAOYSA-N 431.449 1.335 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)n1 479390869 MVGCKISMSSXCKD-UHFFFAOYSA-N 436.468 1.223 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)cc1 487202997 ROCPMGYSHUMEOM-LJQANCHMSA-N 426.440 1.933 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 492416386 DSWNIWIENYXILD-MRXNPFEDSA-N 439.482 1.763 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 499716806 BNQGOCWVMIEEFV-YVWKXTFCSA-N 427.545 1.959 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 507081181 YFQACWCUGCIZCZ-UHFFFAOYSA-N 443.544 1.418 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 508797083 YVTNBJYOXJCYSC-FHWLQOOXSA-N 432.569 1.369 30 10 IDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508901110 DQZNHBMIRIMFBN-LZFQIVBZSA-N 426.473 1.993 30 10 IDEE CN1CCN([C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)c2cccs2)CC1 515291890 VCKXNIUMDWCGRK-IBGZPJMESA-N 439.589 1.835 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)n1 516901954 YVKOGELLUXNLHL-CQSZACIVSA-N 425.510 1.222 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 524717051 NHQUOZBBOPKWAT-UHFFFAOYSA-N 432.505 1.842 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 542409226 UCFSUNOFXFSIMF-UXHICEINSA-N 432.484 1.943 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCCO2)CC1 555485710 HVPJTHLQPRIWDP-SFHVURJKSA-N 428.537 1.840 30 10 IDEE Cn1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCOC3)CC2)c1=O 559202370 GUNCKTMBQWQHGS-GOSISDBHSA-N 446.515 1.274 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 578177362 NPCUTIHFVPEHSY-QGZVFWFLSA-N 437.522 1.148 30 10 IDEE N#C[C@@]1(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCSC1 603885319 FIAVHBLKEAFJDN-HNNXBMFYSA-N 446.348 1.318 30 10 IDEE Cc1noc(C)c1C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610011270 RCIYMRBPKHNFKF-AWEZNQCLSA-N 431.518 1.810 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 610377435 WTWGINZDBRNZGC-ZDUSSCGKSA-N 440.431 1.634 30 10 IDEE C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732152807 BAZFPZCQLWDWOM-AYAKEVCGSA-N 446.529 1.506 30 10 IDEE COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 732496477 WOUFCCJYHCLIRO-LAUBAEHRSA-N 446.463 1.818 30 10 IDEE CN(CC(=O)Nc1ccccc1Br)C(=O)CCN/C(O)=C1/N=CC=CC1=O 733887994 FVAFSFWMPJJJER-ZCXUNETKSA-N 435.278 1.763 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735295298 SAVHKNYSJCVVQK-UHFFFAOYSA-N 449.488 1.783 30 10 IDEE COC(=O)[C@H](OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 740197906 AKHWRWOLMHDXOT-HXUWFJFHSA-N 445.449 1.951 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 742407478 NBWVGTBPJMKOCN-HXUWFJFHSA-N 425.514 1.133 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C1 755549071 GTEHHMDNHTZSPW-HOCLYGCPSA-N 428.493 1.496 30 10 IDEE O=C(O)C#CCNC(=O)[C@@H]1COC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757471726 UPXGJSWLOIVXAE-NHCUHLMSSA-N 434.448 1.744 30 10 IDEE C#CCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cc(O)cc(Cl)c1 759053390 AMGLXDYAWKXHHN-UHFFFAOYSA-O 438.938 1.951 30 10 IDEE C=CCCCCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 770508192 JWSOHYQFCQZCLS-UHFFFAOYSA-N 443.591 1.771 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 774487001 VLCYZBWIQYSQMK-GXSQDJCVSA-N 430.530 1.599 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 780631174 UEFQTIDDUMJHKJ-OAHLLOKOSA-N 427.445 1.678 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CN3C[C@H](Cc4ccccc4)OC3=O)CC2)cc1 781136371 BXRUTHTYNYHXPT-FQEVSTJZSA-N 440.525 1.886 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCC#N)C1=O 784126025 NFKWEXFFPACOFA-KRWDZBQOSA-N 431.518 1.718 30 10 IDEE C[C@H](C(=O)OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)n1cnc(C#N)n1 798744351 SATQVYCWEANPSS-RHSMWYFYSA-N 430.896 1.861 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@H]1CCCO1 799934283 STUISDHFOIJUQW-OAHLLOKOSA-N 443.500 1.042 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801293267 JGVUWVYKIPZABD-OAQYLSRUSA-N 437.500 1.933 30 10 IDEE C[C@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 803847285 BPHVHOMWDMGFSW-AWEZNQCLSA-N 444.469 1.158 30 10 IDEE C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 810834568 UUIOVYARUQBSDJ-LDLBOXJGSA-N 434.492 1.700 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C 838644027 GKBCAMTUGGXSJE-UHFFFAOYSA-N 435.553 1.587 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCOc3cccc(F)c3)cc2C1=O 918812029 AOJQSOQNMHEXKG-UHFFFAOYSA-N 426.400 1.960 30 10 IDEE CN(CC(=O)NCc1cccc(C#N)c1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192236 KBDSXBRNAKIIIX-UHFFFAOYSA-N 429.521 1.186 30 10 IDEE CN(C[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1)S(C)(=O)=O 1128799317 SJEQUXGMVMVWMT-ZDUSSCGKSA-N 428.352 1.993 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1F 1128964789 SZWWIWVETMGTCZ-SFHVURJKSA-N 430.523 1.331 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OCC)C2CCOCC2)s1 1152930148 LQMRJUIYMXZCSY-KRWDZBQOSA-N 430.548 1.229 30 10 IDEE C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1161357221 MHCFRTAINSTLEL-CYBMUJFWSA-N 440.827 1.708 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cc(C#N)c3ccccc3c2=O)C1=O 1166550378 ZNGUIEKLIUCVHV-QHCPKHFHSA-N 429.436 1.762 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)n(Cc2ccco2)c1C 1195757134 MPXFDTHCGVZBQP-UHFFFAOYSA-N 426.521 1.262 30 10 IDEE CCS(=O)(=O)C1(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1231361123 DXBBHFRYZFZTLE-UHFFFAOYSA-N 427.530 1.905 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)ccc1F 1253611818 JWTMMGBGXVOAKX-OAHLLOKOSA-N 445.516 1.264 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nn1 1264079715 VARABAGJSHLLOA-UHFFFAOYSA-N 430.317 1.918 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(F)c1 1264346541 GUPORSZPXBCEJS-UHFFFAOYSA-N 431.445 1.615 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)cc2-n2cnnn2)c1 1264713907 HRYWOZULVLGENX-UHFFFAOYSA-N 425.246 1.775 30 10 IDEE C[C@H]1CN([C@H](C)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1277542651 VFIUBBITMJVZBF-JEWRLFTDSA-N 427.505 1.377 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC1CC1 1286403673 NYXQSLQSADWFPY-UHFFFAOYSA-N 426.498 1.571 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1286407700 OPYMBTULIRVBNB-QFIPXVFZSA-N 446.555 1.559 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCN(C)C1 1286458724 AURSOCZRNIQJMM-SFHVURJKSA-N 437.342 1.188 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286711458 NVCXMLDUFIHSEH-KRWDZBQOSA-N 427.509 1.349 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286785555 GNQSIDHBQINUGK-FUHWJXTLSA-N 432.569 1.605 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286818942 UMAYZUPZPGPCSK-IAGOWNOFSA-N 434.566 1.976 30 10 IDEE C=CCN(CC(=O)OCC)C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1295186188 CFUALCDSFYEKGU-UHFFFAOYSA-N 433.530 1.992 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1296472677 VEHRFMALQPABLC-UHFFFAOYSA-N 425.514 1.360 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1297778699 ZRUVGRHJOOEBEY-CEXWTWQISA-N 444.561 1.617 30 10 IDEE COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1297844603 VSORLTYFVOMRSZ-INIZCTEOSA-N 437.905 1.922 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1299071120 BTDGBQQFYKKBBP-LAUBAEHRSA-N 426.546 1.647 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1300284948 WEWFVZJIAWYLEJ-DLBZAZTESA-N 431.562 1.527 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 1300411435 IXTVVXJOOJGKDT-QGZVFWFLSA-N 448.568 1.962 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1300423026 FTAJDCSAKDVDGJ-GOSISDBHSA-N 427.505 1.620 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1300479400 NQVNJKRMDJSWNF-KSZLIROESA-N 449.577 1.024 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300487022 DMRMJHWXXANHFC-RBUKOAKNSA-N 442.589 1.699 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1300547886 SLTIGBYXJGEBQF-ROUUACIJSA-N 429.521 1.838 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)CC=C)CC1 1300688485 GMVDARDEHUNUPQ-UHFFFAOYSA-N 429.546 1.310 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)nc1 1301180674 CTAKECKSQNHOEJ-NRFANRHFSA-N 425.533 1.373 30 10 IDEE COCCCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1301619896 GLMYXGIRPHXULK-JKSUJKDBSA-N 449.533 1.325 30 10 IDEE CS(=O)(=O)CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1302447972 BMNRXNYVTBTTKF-IBGZPJMESA-N 449.512 1.582 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCS(=O)(=O)C1 1302685379 BSBLKGZLZJTXCW-HZPDHXFCSA-N 444.565 1.213 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 1313401706 AORRJJVOEAACTQ-UHFFFAOYSA-N 445.520 1.809 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1313636294 HHNRMVQVCICLPV-HNNXBMFYSA-N 439.586 1.277 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1314635466 DGVJVBGWAQYDOO-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1315078983 OTTZQILJIZSACX-KRWDZBQOSA-N 446.533 1.145 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1358889663 FIQPWUWHWBGJRC-YOEHRIQHSA-N 437.953 1.771 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1358913140 GUJRIFDUMIQRNU-QZTJIDSGSA-N 439.582 1.420 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1358919143 SRIKSNGCOPPVBR-NHCUHLMSSA-N 441.624 1.922 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1358969892 ZJQSBOIYTDSZII-APWZRJJASA-N 446.552 1.403 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc2c(s1)CCCC2 1359023619 QDIPJSMFQJGFAZ-INIZCTEOSA-N 428.562 1.893 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)COCCO2)CC1 1359038283 QCZJDIDVGWEXLE-HSZRJFAPSA-N 425.533 1.726 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359104939 HSMRKCOZSGEALS-CTNGQTDRSA-N 447.580 1.871 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359136785 UZHRCJVDYZVBSP-AZUAARDMSA-N 434.585 1.396 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC(C)CC1 1359240160 HJVRGOIVIVCFPV-QZTJIDSGSA-N 440.614 1.354 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1359294360 RHBXHFIUDLTJSW-ZDUSSCGKSA-N 449.284 1.878 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 1449337784 QWFKPHRDDLWLLG-CQSZACIVSA-N 440.465 1.036 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C(=O)OC)CC[C@@H]3C(=O)OC)ccc2c1=O 1457932282 DOCDCPQXULJFFZ-XJKSGUPXSA-N 445.497 1.438 30 10 IDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1457978285 DTNRBXFPOVYDTA-UHFFFAOYSA-N 449.490 1.737 30 10 IDEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1462105577 OOVASPSJSRSLGJ-KRWDZBQOSA-N 441.532 1.675 30 10 IDEE CN1CCN(C(=O)N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1464907676 KIQUAJXXMSOKDR-UHFFFAOYSA-N 447.580 1.149 30 10 IDEE CN1CCn2nc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)cc2S1(=O)=O 1467699052 BPRWEQHONRJCLR-QGZVFWFLSA-N 448.936 1.193 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1502637886 AOFDTXATBMTDND-XZOQPEGZSA-N 438.532 1.917 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1504883500 BDTZTSHAPLPXMC-AVRDEDQJSA-N 446.552 1.609 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1507632255 KGQIDMFOUAYQDC-QZTJIDSGSA-N 430.530 1.553 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507652486 JPOOVCZZLNRUOC-NHCUHLMSSA-N 432.528 1.203 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(C)=O)CC1 1507704144 QOVXUUIPOSKSTQ-HSZRJFAPSA-N 447.580 1.663 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccco1 1507710586 QYUCBLHMZWFQCQ-OAQYLSRUSA-N 427.461 1.593 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C(N)=O)c2)CC1 1507724138 IDANICJUQFGKJW-UHFFFAOYSA-N 429.528 1.361 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1508076891 WMVCZEHJJWPZLB-SJORKVTESA-N 444.511 1.380 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1508088292 RORMDHRWYHEQTP-AZUAARDMSA-N 439.564 1.498 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1508122020 HIMSOYQORFEUPD-NJDAHSKKSA-N 432.613 1.837 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508734507 DPZPTSMHPBUNLQ-KRWDZBQOSA-N 433.534 1.513 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC2(C1)OCCO2 1510176599 QCYDFDLQVOVPMY-GOEBONIOSA-N 438.554 1.171 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C#N)C2)CC1=O 1519191805 GPVNIUAEWLNJLW-JKSUJKDBSA-N 444.923 1.822 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1520583846 NVXQNNMKKMAEIU-YRNRMSPPSA-N 443.566 1.816 30 10 IDEE C#CC[C@H]1CCN(C(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)C1 1533968367 PIJLHSHHMHFXKY-KRWDZBQOSA-N 445.564 1.972 30 10 IDEE C#CC[C@]1(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)CCCN1C(=O)OC(C)(C)C 1538244926 PVSHOBCMNDQCRR-HSZRJFAPSA-N 440.500 1.969 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539216430 RPMJFEOXONQVHR-CYBMUJFWSA-N 444.439 1.288 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2c(CC)nn(C)c2CC)CC1 1539453660 OKJSCOOHQMUNJM-UHFFFAOYSA-N 432.576 1.926 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539499436 KPCMUNZPFMEUPS-DOTOQJQBSA-N 426.502 1.935 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1539744714 UIWRRHFKTACWRO-HNNXBMFYSA-N 430.509 1.656 30 10 IDEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540036453 NGPYNZVHDLSMBD-UHFFFAOYSA-N 432.569 1.702 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1540041830 FMPQAVKQCKRHPP-DYESRHJHSA-N 434.541 1.079 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1541908474 OERIGTVTPMARRB-WDEREUQCSA-N 428.506 1.922 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1)C(=O)OC(C)(C)C 1546320023 FMEBYRHTQIZGHO-UHFFFAOYSA-N 439.520 1.177 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1554165003 FKJNWSDQZNSOFU-QGZVFWFLSA-N 442.545 1.705 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1558329543 RWXKHRGJKXWXIR-UWJYYQICSA-N 449.573 1.365 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NCC2(C#N)CCOCC2)CC1 1565466904 CUEVHGYOELTEHY-KRWDZBQOSA-N 449.552 1.560 30 10 IDEE C#CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCOc2ccc(Br)cc21 1586216830 REZSMMACXFBWHA-HNNXBMFYSA-N 443.257 1.569 30 10 IDEE C=C(C)Cn1c(SCC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)nnc1-c1ccco1 1586487530 GUYATZFIJCONOI-ZDUSSCGKSA-N 425.536 1.356 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588065142 VEAPKVQIRYOKJK-UYAOXDASSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1588124913 VZOIHQCYRHFJQP-QFIPXVFZSA-N 441.539 1.813 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)CC1 1588837461 VDEDKCBPRSVDLO-HXUWFJFHSA-N 443.573 1.152 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(OC)CCOC2)CC1 1588871678 MWZRYLKMWHBWJN-HSZRJFAPSA-N 425.533 1.726 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1589663423 NHTFIMITRJLCBY-SFHVURJKSA-N 438.642 1.609 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1594614822 ASGPRASPEKTULB-IBGZPJMESA-N 443.596 1.720 30 10 IDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1594774544 KLFNQCDLWINNLH-QZTJIDSGSA-N 439.582 1.727 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC)C1 1595681590 SNUYMQPUZWQNPK-CQSZACIVSA-N 437.342 1.964 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)COCc1ccccc1 1611629306 DDOVQNCIEJBZEU-MJGOQNOKSA-N 426.521 1.998 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCNC(C)=O)CCOC1 1616152056 WFHDUQWCBMWYQQ-QFIPXVFZSA-N 426.521 1.964 30 10 IDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1617137007 YQWQXJKFHHFENY-QGZVFWFLSA-N 436.578 1.446 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1619955125 NVHHCNAKNQJQLV-VQIMIIECSA-N 438.532 1.709 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CC(=O)NCC(F)F)c1 1620348746 FJDNUIQUURDVFR-KGLIPLIRSA-N 432.387 1.312 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=NN3CCCN=C3N2)c1 1625037095 SPDMGRKFROCSBN-JLPGSUDCSA-N 431.522 1.197 30 10 IDEE C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)Oc2ccccc2NC1=O 1625121002 BJYNXGIEJDDMKN-OAQYLSRUSA-N 440.481 1.181 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 1626883173 YMRGBUBIVFGMEV-QZTJIDSGSA-N 439.555 1.292 30 10 IDEE CN1CCN(C(=O)N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1628340074 XUQPWBNMRPFVEK-QGZVFWFLSA-N 436.557 1.085 30 10 IDEE COc1cc(N)c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1S(C)(=O)=O 1628895180 NVFKRUOAKLTZIW-SFHVURJKSA-N 428.514 1.704 30 10 IDEE CCOCCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H](C)C1 1629011477 WYTSBXFPOGAAMS-KXBFYZLASA-N 425.526 1.990 30 10 IDEE COc1ccc([C@H](CN2CCCC2)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1630881202 DFKKTWZTNKAVGO-NRFANRHFSA-N 442.541 1.798 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 1632492697 CRFCLCQMKNJTON-MRXNPFEDSA-N 427.482 1.142 30 10 IDEE Cc1ccc(C(=O)NCCS(=O)(=O)NCC2CCC2)cc1B1OC(C)(C)C(C)(C)O1 1632633345 ZGAYTNMHGICVPK-UHFFFAOYSA-N 436.383 1.744 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CSc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1635701013 HWFLTAUMWIYUED-GOSISDBHSA-N 444.538 1.215 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC1CC(NS(C)(=O)=O)C1 1639248466 WPRZOWUTGQPNIF-LEOMRAHMSA-N 448.545 1.589 30 10 IDEE C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1CCCNC(=O)OC(C)(C)C 1641643091 BVHMGABPZDUVGS-GDBMZVCRSA-N 433.509 1.753 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2ncc(I)cn2)CC1 1642267272 TVTXQRPBNKFAAF-CQSZACIVSA-N 443.289 1.201 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1)c1cc[nH]n1 1643217828 YSUYQFLLMKUAKP-OKILXGFUSA-N 436.371 1.023 30 10 IDEE CCn1c(C)cc2[nH]nc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2c1=O 1648864924 AYFHWBWXYQQYOP-UHFFFAOYSA-N 442.501 1.510 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C)[C@@H](CO)C3)nnc12 1654744079 VOEGUTRWGIHHTJ-HUUCEWRRSA-N 427.530 1.799 30 10 IDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1659737811 YUTSEZVCUGAIST-DXIQSLLYSA-N 432.496 1.187 30 10 IDEE C=CCO[C@H]1CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1675972797 ZRJUEJTVBPPWMD-JKSUJKDBSA-N 431.555 1.397 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)C2=O)cc1 1682228014 YAKHEQVFUKZASB-DHIUTWEWSA-N 447.539 1.725 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1689824598 SXGLNDRUKRJYCU-HNNXBMFYSA-N 432.525 1.266 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1689946726 VEKMUPLZSKDFBA-JTQLQIEISA-N 436.485 1.676 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1690146344 LSIFQFDEUUDEQS-DLBZAZTESA-N 437.491 1.562 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccn(C)n2)CC1 1690146807 XHFDXMNKXULBQQ-IBGZPJMESA-N 425.537 1.462 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCOC(C)(C)C2)CC1 1690148914 ZSFCYLYGSLINSO-UHFFFAOYSA-N 430.597 1.553 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1690660616 LEXIYWDMEROTKQ-OAHLLOKOSA-N 442.495 1.670 30 10 IDEE CCOCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1696327004 DUJYYNBNMRHPHU-QGZVFWFLSA-N 441.536 1.460 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCn2ccnn2)c1 1705504226 QJNUYVIUKGLVKQ-UHFFFAOYSA-N 449.519 1.154 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)C(C)(C)C 1705547699 MZFNPIMGAYGPAN-UHFFFAOYSA-N 428.522 1.204 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705564980 DPXOVKCXWHURFU-SFHVURJKSA-N 430.578 1.776 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCCC)CC1 1705632749 AOYKTNPPHFLANW-QGZVFWFLSA-N 428.512 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nccn2C(F)F)CC1 1705634762 IEQQKJRPPKUGLF-OAQYLSRUSA-N 449.506 1.714 30 10 IDEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705657045 QUWOZXFMVDCTGB-LJQANCHMSA-N 436.541 1.811 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1705675179 YGROCEJWWXENEJ-IIBYNOLFSA-N 445.545 1.633 30 10 IDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705686483 ZWDJPKYZUHLIGZ-UHFFFAOYSA-N 425.331 1.237 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1705710525 NLWWDSUCZGEUQK-MRXNPFEDSA-N 426.587 1.156 30 10 IDEE C=CCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705885805 OCSJKJHUWFUFAZ-QLFBSQMISA-N 425.555 1.714 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)n(C)c2=O)C1 1705929534 SERZKWZYJLQSEN-SFHVURJKSA-N 426.521 1.237 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC[C@@H]1C 1705932245 QRRNTDHFPNNXMO-KRWDZBQOSA-N 442.545 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OC)C1 1705937266 OOZGBDGFVXDPLT-INIZCTEOSA-N 425.580 1.850 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1706188200 OAKHTMYXMQIJKN-QTEAWJPNSA-N 436.513 1.995 30 10 IDEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1711115862 PYJKSVQIVKIXCZ-UHFFFAOYSA-N 446.558 1.971 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)CC1 1711409278 AJLHMHOXVMNZQG-UHFFFAOYSA-N 440.552 1.246 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCOCCS(C)(=O)=O 1722345329 HHBSBYXTBWFIER-UHFFFAOYSA-N 441.351 1.838 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cnnn1 1722388090 UMGACKULDAIWFA-UHFFFAOYSA-N 431.504 1.687 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722409675 FDBQHPOTQNSKHW-ROUUACIJSA-N 425.516 1.484 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCS(C)(=O)=O 1722418361 NYHCSHQPZDDPBB-UHFFFAOYSA-N 428.493 1.949 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CCOCC2)CC1 1722432199 WPTGQGCYMPMCKO-GOSISDBHSA-N 443.523 1.854 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722452279 CXQJZMHIKXKPDW-INIZCTEOSA-N 429.550 1.956 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC[C@H]1C 1722688980 OXISNAUPZAVREX-CQSZACIVSA-N 447.565 1.074 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1722699966 RFSNAPXHUJLMCB-UHFFFAOYSA-N 428.924 1.636 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722700577 MOPOPTTVICFDAB-KRWDZBQOSA-N 442.549 1.247 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 1722711544 FYSFQPWXSPRHMR-UYAOXDASSA-N 427.553 1.873 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1730900094 AABPZYAWQCTJLQ-UHFFFAOYSA-N 433.534 1.493 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740590472 HQIARTQXLQJNIM-MRXNPFEDSA-N 432.525 1.454 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1740774239 PAVRVCWPEOQZQW-KRWDZBQOSA-N 426.587 1.109 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1741475143 ULOPARDNDBEOIM-GOSISDBHSA-N 436.564 1.985 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1743912010 XSPSCRUKOAEYPL-INIZCTEOSA-N 425.537 1.780 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1744693282 CZUDANJQHNOCSB-UHFFFAOYSA-N 431.566 1.367 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748686393 OHUWBBBEXSCASP-IFXJQAMLSA-N 438.937 1.518 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1748732307 YDIHFYYDPOJDLI-KRWDZBQOSA-N 446.577 1.993 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C(F)(F)C23CCC3)CC1 1748972211 CZKINNKLCNZEJB-CABCVRRESA-N 442.536 1.079 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1749464867 GUTDROJLIXVMHK-MRXNPFEDSA-N 429.550 1.804 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCS(C)(=O)=O 1749467047 DHQGBIWCZXKCLA-UHFFFAOYSA-N 440.595 1.604 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(F)F 1749669450 KYLSEHSARBFVFX-UHFFFAOYSA-N 434.495 1.846 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1749669851 LJZFDFZSZMFCBY-QGZVFWFLSA-N 426.525 1.132 30 10 IDEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760139925 TUOCHFJRUUNEQK-UHFFFAOYSA-N 439.549 1.069 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1760174227 FHMBBRGSEBNDNZ-SFHVURJKSA-N 433.534 1.127 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760186755 QPWVNLFGBIBIMY-LJQANCHMSA-N 443.573 1.352 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190340 ZVVVVGVHNUZIAE-GUDVDZBRSA-N 437.610 1.385 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760249021 UHEOVKVSYVTVOO-GOEBONIOSA-N 428.562 1.945 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCCC)CC1 1760251621 DQAKJGWGULOSEC-UHFFFAOYSA-N 437.548 1.429 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CC[C@@]3(CCOC3)O2)n1 1760252591 RYPGSBUNWZVMNV-UGKGYDQZSA-N 428.537 1.661 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2CCOCC2)n1 1760252880 SPRYIKKSHKXFFG-LJQANCHMSA-N 428.537 1.691 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2cn[nH]c2)CC1 1760267051 SQMPNMTZYJKECN-UHFFFAOYSA-N 433.516 1.885 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)O)CC1 1760267324 JBOFSQALSCXMHZ-UHFFFAOYSA-N 441.532 1.699 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1760269241 BZILMFIXOQWRTA-GCJKJVERSA-N 446.621 1.185 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760325030 OKESFQNRVPAXST-JQVVWYNYSA-N 444.580 1.734 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760522693 AYKHFVIQQTVIQH-JOCHJYFZSA-N 425.537 1.252 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760523700 GDXWLHBUXWHZLJ-QYZOEREBSA-N 432.569 1.369 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1761360506 NZXTVAAAAORPEW-RHSMWYFYSA-N 448.531 1.845 30 10 IDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CCCO1 1763197046 BRIQVHJWFPXUFY-YLJYHZDGSA-N 437.548 1.629 30 10 IDEE CCN(CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766684599 VDLSWGHVKCYLRD-SFHVURJKSA-N 438.536 1.496 30 10 IDEE CC[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766752053 RTFGJELZTKBGED-OKXSDPAFSA-N 443.577 1.534 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c(OC)c1 1768442951 SJPRBCXNLPWDAZ-BBRMVZONSA-N 441.492 1.689 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1768972321 BGJQKDLLBCNDGP-RTWAWAEBSA-N 430.484 1.374 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1 1770675093 GFZUFIQMLJNYAT-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE COCC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1770680559 JTSNNMZXRDBTCS-UHFFFAOYSA-N 441.517 1.442 30 10 IDEE Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCO[C@H](C#N)C5)n4)ccn3n2)cc1 1848555026 AUYNGIQNVWLQOX-QGZVFWFLSA-N 431.456 1.627 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)CSC2CCCC2)C1=O 1854337541 HPKZTBHIGDAAST-SFHVURJKSA-N 428.562 1.662 30 10 IDEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)NCCN2C(=O)CSC2=O)CC1 1860607696 DDBXWLJFTVSBEH-SFHVURJKSA-N 433.530 1.547 30 10 IDEE O=C(N=C1NN=C(c2ccccc2)CS1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 1865943854 XUPMRJGTKVHMIN-UHFFFAOYSA-N 428.495 1.990 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cccc(N(C)C)c2)cc1 1870095693 SZRVUVSDYCKAGY-UHFFFAOYSA-N 425.474 1.964 30 10 IDEE N#Cc1ccc(COc2cn(Cc3ccncc3)c(CN(CCO)CCO)cc2=O)cc1 1870348233 PERCLNJFDUCVTC-UHFFFAOYSA-N 434.496 1.529 30 10 IDEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN(C)C 1870349967 KUVQIJWJZROSFN-UHFFFAOYSA-N 442.560 1.955 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCN(CC)CC 1870355699 FGWMTXRJXAODGU-UHFFFAOYSA-N 434.581 1.242 30 10 IDEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN(CC)CCO 1870356076 KNKGOKSUZRYFSO-UHFFFAOYSA-N 439.597 1.900 30 10 IDEE C=CCn1nc(C)c(I)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 1871329797 MGGFYZWSEBCXCA-UHFFFAOYSA-N 446.270 1.882 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874430864 BIRIRBCVECVGCC-LSHDLFTRSA-N 440.485 1.938 30 10 IDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1896112036 YUXKENHRLITFGB-CABCVRRESA-N 425.526 1.944 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1986132523 RUMCJYAJDXOHKA-HRCADAONSA-N 425.526 1.780 30 10 IDEE C#CCN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2009816670 GKVPMJMNUCOCBP-DEOSSOPVSA-N 426.561 1.933 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107464889 YRDZYZBVGHFJQW-MYJAWHEDSA-N 433.137 1.290 30 10 IDEE NCC#Cc1cccc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2146011077 YRNMBBSELTWPJN-UHFFFAOYSA-N 425.510 1.493 30 10 IDEE CC[C@H](C#N)N1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164488832 YSFOGOQLMGVLRE-QRWLVFNGSA-N 436.509 1.260 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2255672863 MIBFFDZDNSOGLL-RDJZCZTQSA-N 425.342 1.507 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255700487 DGQASVSQTVJPKL-CABCVRRESA-N 435.330 1.414 30 10 IDEE Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255820813 BFMYSKYKGTYGBG-OKILXGFUSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2255830190 BJVYZPVCVXHDDC-ZIAGYGMSSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)CC1 2255863373 NDLDDQWIWWGEQR-UHFFFAOYSA-N 433.358 1.632 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOCCNC(=O)OC(C)(C)C 2255874013 PWHOHBGHPRTGMD-UHFFFAOYSA-N 437.346 1.595 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256614953 QSIKDSIGZGXYHB-UHFFFAOYSA-N 434.342 1.831 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]1CO2 2267140715 DSQLFZFSSHNWET-ZSEKCTLFSA-N 448.329 1.217 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267162482 PHQOYLYPCJMLBZ-OAHLLOKOSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267272312 YUEKEJYQEBXVRU-UHFFFAOYSA-N 444.341 1.859 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267495403 LSJFDOWNNVBFCT-KBMXLJTQSA-N 448.325 1.943 30 10 IDEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2267504834 YMMRSRAENSHTAA-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1CNC(=O)OC(C)(C)C 2267606123 SRNWAVHEWROHEG-ZIAGYGMSSA-N 449.361 1.347 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)=C[C@@H]1O 2268718937 WKPHGZACOYUDID-CABCVRRESA-N 445.325 1.904 30 10 IDEE CN([C@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270539580 RZJRUGJXENLGHJ-CHWSQXEVSA-N 437.396 1.472 30 10 IDEE C#CCn1c(=NC(=O)C=Cc2ccc3c(c2)OCO3)sc2cc(S(N)(=O)=O)ccc21 2297480303 SIZNFSXVUQGLGZ-UHFFFAOYSA-N 441.490 1.853 30 10 IDEE COc1cc(C=NNc2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C)ccc1O 2328610399 RGJFQZRDFPYEJW-UHFFFAOYSA-N 448.483 1.951 30 10 IDEE CCc1nnc(CN(C)C(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)o1 20918243 VRJQEXKPAGGTGY-AWQFTUOYSA-N 429.510 1.442 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@H]1c1cccnc1 72472472 XTYDFNHZGPMQKR-YOEHRIQHSA-N 430.424 1.533 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)NC(C)C 105284111 AQBOKUMUHKYOOU-UHFFFAOYSA-N 443.529 1.611 30 10 IDEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3cccc(Br)c3)[nH]2)CC1 253570335 NLRYJDUIHJPTGD-VCHYOVAHSA-N 438.355 1.879 30 10 IDEE COCc1noc(CN2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)n1 444729762 GKPNNBWEIDOSIN-QGZVFWFLSA-N 442.520 1.678 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1 467689504 VFBWOJWKVWJURX-HNNXBMFYSA-N 433.921 1.936 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 474673159 BRCPJWIFMWUHRO-IBGZPJMESA-N 442.516 1.660 30 10 IDEE Cc1ccc(C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1S(=O)(=O)NCC#N 481519131 KKUGMTKGWKSHQI-IBGZPJMESA-N 429.498 1.717 30 10 IDEE C=CCOC[C@@H](NC(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12)C(=O)OC 481752389 DBTIHKMRMSMMRR-CQSZACIVSA-N 427.413 1.467 30 10 IDEE CNC(=O)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 484855420 YCGGFFWYFMRKMX-OALUTQOASA-N 433.468 1.757 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 485994062 MMWGXWLIRBRVKH-FQEVSTJZSA-N 440.525 1.452 30 10 IDEE COCc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)no1 502004902 QQCZWSUMRWVWSG-LBPRGKRZSA-N 432.380 1.869 30 10 IDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 509249003 PLLMSHDHKAFZHY-CYBMUJFWSA-N 449.360 1.995 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)ccc1F 511234107 UKBYQTOIUADQQV-UHFFFAOYSA-N 435.861 1.747 30 10 IDEE N#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 520172902 PPBVISSVSXDKEI-UHFFFAOYSA-N 443.485 1.089 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 525778006 HBMIWIRFQIJHRU-UHFFFAOYSA-N 432.505 1.698 30 10 IDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1 549407059 KHXXDUTZWIPZQD-UHFFFAOYSA-N 434.562 1.832 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 570247645 IIALVXHQDVONJV-GOSISDBHSA-N 433.534 1.368 30 10 IDEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 571301798 GUAXCTJEOJZUJE-KRWDZBQOSA-N 437.500 1.849 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(O)cc2)CC1 573490450 UDIZJEOBJGBFKY-IBGZPJMESA-N 447.561 1.887 30 10 IDEE C=CCn1c(Cc2noc(-c3cccc(C(=O)NC4CC4)c3)n2)nnc1N1CCOCC1 580002710 LLFCNNRFLADCSC-UHFFFAOYSA-N 435.488 1.834 30 10 IDEE C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COP(=O)(O)O 669679145 BGSOJVFOEQLVMH-NDNUHCHRSA-N 442.445 1.899 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(CC)c1 730137698 HJHCPXZQQRGESB-YJBOKZPZSA-N 447.605 1.773 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730139445 BKJHUHSKCGMJMQ-LJQANCHMSA-N 447.605 1.829 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)nn2)CC1 732649274 SGWNURLYYTVSSP-QGZVFWFLSA-N 429.525 1.662 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1 738362024 WFSYVMXVVJANJI-INIZCTEOSA-N 448.588 1.039 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 741452283 CWUXYNSDTSYMPF-SJLPKXTDSA-N 447.605 1.909 30 10 IDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 751275510 URHWULCWSUOCMR-HNNXBMFYSA-N 430.523 1.119 30 10 IDEE C=CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2cncc3ccccc23)c1=O 772824421 KNQQFFWITZKLEU-UHFFFAOYSA-N 435.549 1.985 30 10 IDEE COc1ccc(S(=O)(=O)Nc2cc(CC#N)ccn2)c(NS(=O)(=O)C(F)F)c1 776088319 HARYENWQRGETAC-UHFFFAOYSA-N 432.430 1.921 30 10 IDEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 781936528 ACNHBRCQLDNZPL-HEWTWTGNSA-N 435.525 1.944 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc2n1CCCC2 784490709 JSBUZMDZJURRHV-INIZCTEOSA-N 444.561 1.427 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 794646143 VCOCRJSNKSJGON-QGZVFWFLSA-N 444.516 1.227 30 10 IDEE Cc1oc(C#N)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 797885081 IXGTVOPRKRWFEY-KPKJPENVSA-N 443.481 1.761 30 10 IDEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C)[C@H]1CCS(=O)(=O)C1 809864492 JTIDVSPPWPOXPM-HOTGVXAUSA-N 437.566 1.556 30 10 IDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ncc1C#N 1124726296 SZHPPBUQCFIEJI-UHFFFAOYSA-N 428.470 1.180 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@H]3C[C@H]3CCCO3)CC2)cc1 1134533587 JSPBZZKNVVLPDR-VQTJNVASSA-N 447.557 1.755 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN([C@H]3CCOC3)C2)c1 1141878179 PFQBBDLOIKABPM-FKNXBIFSSA-N 434.562 1.939 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)c1 1156164332 WPFNVLIRSLUMJW-UHFFFAOYSA-N 425.466 1.287 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)CC1 1167534641 GTAISBSIEWJNJE-UHFFFAOYSA-N 439.965 1.267 30 10 IDEE C#CC[C@H](COC)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1169299889 IKYHHAXJIHADNB-QGZVFWFLSA-N 426.330 1.860 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H]2CCO[C@H]2c2ccc(O)nc2)CC1 1175259505 BJMUJFSGUSZUGJ-LZJOCLMNSA-N 427.530 1.677 30 10 IDEE Cc1cc(CN(Cc2cc(O)n3ncc(C#N)c3n2)C2CC2)cc(S(N)(=O)=O)c1C 1195766029 CNQKNXOZMIAGIN-UHFFFAOYSA-N 426.502 1.735 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 1264318237 KWHGIPAFHOQQMY-LJQANCHMSA-N 437.500 1.624 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1286422702 OKDNOJJVWIKKDK-JOCHJYFZSA-N 425.489 1.303 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286605366 LRBPLIUBBBCMDQ-QFIPXVFZSA-N 439.520 1.747 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(=O)(=O)CC 1286718077 WWLUTYJEQKXSKY-UHFFFAOYSA-N 431.360 1.987 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC 1286742659 RUKOVNOEBPRXRL-IBGZPJMESA-N 444.561 1.786 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccc(O)c1 1286781031 MYDPTNFQFTXQRF-UONOGXRCSA-N 436.538 1.094 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286788652 AUCKANVMGLFDKX-SJORKVTESA-N 427.461 1.294 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286789322 CZPVTNLYIONDEJ-MSOLQXFVSA-N 441.488 1.890 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCO[C@H](C)C2)C1 1286799454 WFUNCDRFKLRKTR-WOJBJXKFSA-N 446.596 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC)C1 1286820725 PYYSUFNEQBEOLX-CVEARBPZSA-N 430.596 1.407 30 10 IDEE CC(C)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287207505 RDGLUXXPJQLRKU-OBAOGOGRSA-N 441.536 1.423 30 10 IDEE CC[C@@H](O)Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nn1 1293136023 BSJSWXGWISJESY-AEFFLSMTSA-N 447.337 1.834 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)CC1=O 1298891757 AESOWJLLMIRRJZ-LJQANCHMSA-N 449.515 1.903 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2COCCO2)CC1 1300688942 MXGOPQFBTFWXGK-SFHVURJKSA-N 433.459 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCNc2ccccn2)CC1 1300719933 WIUZJDDJVQQWAO-UHFFFAOYSA-N 447.547 1.542 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC)C1 1300877130 WGFKQILMFPJPGH-MLHJIOFPSA-N 441.598 1.875 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1301406936 ZDJOVRLIAWISNG-QZTJIDSGSA-N 439.582 1.749 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301442996 ULVYDLVAEJUJTM-FHJLPGHOSA-N 438.532 1.567 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1301497743 CFSUJOPZZJZYBF-UHFFFAOYSA-N 428.512 1.928 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1301578419 AISBKKNBCLDMTQ-DLBZAZTESA-N 436.582 1.919 30 10 IDEE CCCCNC(=O)CN1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1301906599 YEKOLVQPVSJBQI-UHFFFAOYSA-N 437.338 1.760 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)CC1 1302924522 ONLNZHUHQPPEGZ-UHFFFAOYSA-N 434.562 1.030 30 10 IDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1303112399 VDWBAXYOFPQALB-AWEZNQCLSA-N 433.324 1.742 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)CCOC1 1303502858 AGQCKUOWMBHJPH-KNQAVFIVSA-N 448.568 1.160 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1305224435 QXRUNJNVSJGMIN-PKOBYXMFSA-N 437.548 1.880 30 10 IDEE CCc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1306085182 BEOFTLHGBRJVFL-WGLILOHCSA-N 438.488 1.643 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCCNS(C)(=O)=O 1314741042 JMNTUNSHRPAIOJ-UHFFFAOYSA-N 439.545 1.711 30 10 IDEE NC(=O)CC1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1316545795 DXIZUEHDGOXSPL-VZCXRCSSSA-N 441.536 1.554 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1358933887 HMFWPQMIXVMVBV-UHFFFAOYSA-N 435.532 1.352 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1358949294 YCXLMGYWCYVMGT-IBGZPJMESA-N 447.561 1.516 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1359010595 UNTMAXNXGMWBQQ-OAHLLOKOSA-N 430.513 1.223 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C(=O)NCC)CCC2)CC1 1359027984 CHFWTSFPZYDHEH-UHFFFAOYSA-N 443.596 1.258 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC=CO2)CC1 1359041142 OHLKPPATQNWEAA-PKOBYXMFSA-N 431.537 1.661 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1359062041 UMUKUOAHHZMTSF-PKOBYXMFSA-N 432.638 1.931 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359224725 AOTPTIGLDWBTED-QGZVFWFLSA-N 427.509 1.633 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359337575 WBVMEEWAJBMPCP-RRFJBIMHSA-N 442.611 1.055 30 10 IDEE C=CCn1cc(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nn1 1360489172 JBHDGONCDTYGHU-UHFFFAOYSA-N 449.533 1.312 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCO[C@H]1CCOC1 1360679324 UCHLIVAYOVKRFR-RDJZCZTQSA-N 440.570 1.214 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C1CCN(C)CC1 1439601579 HEELWFKLJLNIJI-UHFFFAOYSA-N 445.585 1.846 30 10 IDEE C#CCCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1442682979 UMXWGKLGXUIHKM-QGZVFWFLSA-N 439.603 1.455 30 10 IDEE C#CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@@H]1CCOc2ccc(Br)cc21 1444128474 ZTGHTXDDMRVBKX-MRXNPFEDSA-N 434.290 1.705 30 10 IDEE C=CCn1cc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn1 1451876313 FHMMPSRUOICCOA-UHFFFAOYSA-N 438.529 1.842 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CS1(=O)=O 1452966123 RZRVLQVJDKXNLR-XHDPSFHLSA-N 426.336 1.839 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1461626763 BMOCUYDVMHQQQJ-NVXWUHKLSA-N 436.486 1.331 30 10 IDEE COCCS(=O)(=O)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1463148869 KDGFZIBNLYIWKK-HTQZYQBOSA-N 433.317 1.677 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1465277079 QGBPKOVJHBSZQS-QGZVFWFLSA-N 427.567 1.393 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1472226703 QIRDHHVKVWYCPS-CQSZACIVSA-N 447.561 1.850 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3ccc(N4CCNC4=O)cc3)CC2)o1 1473576428 CAIWMXMBIBPTEQ-HNNXBMFYSA-N 437.504 1.384 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)OC)cn1C 1475677300 PCWVKKGAVVFRTM-UHFFFAOYSA-N 439.534 1.835 30 10 IDEE CC[C@@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1496067888 XLMZGPJJVXDCHE-OSCRUYLVSA-N 443.552 1.913 30 10 IDEE CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499723242 VNRSNJQROSTIAN-YJBOKZPZSA-N 427.509 1.289 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 1503724593 FALBDZPSDGORGK-UZUQRXQVSA-N 437.548 1.500 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1503836421 KPKLZTQLRBMZIW-ROUUACIJSA-N 448.549 1.059 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1505018092 CYBALAQGGORKPE-AUSIDOKSSA-N 438.532 1.927 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507523345 KXDPJELHNTXEFC-DOTOQJQBSA-N 447.561 1.844 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1507617518 VERAHGUXONFWND-ROUUACIJSA-N 448.568 1.377 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(OC)C2CC2)CC1 1507738419 OPXWKPZMPJLGEA-JTSKRJEESA-N 428.537 1.010 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC 1507765378 NFKWELHOVXQJJM-HSZRJFAPSA-N 433.516 1.803 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCC#N)CC1CC1 1507774828 CSIFKIGYCTTZQP-GFCCVEGCSA-N 431.360 1.927 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508079021 MMLPHHUTZXEJCG-SFHVURJKSA-N 444.561 1.252 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1508087079 NJPKJGJHQJVKJP-HUUCEWRRSA-N 429.525 1.227 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508091642 WEUBDZTYOYHOLM-IAGOWNOFSA-N 448.568 1.920 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513422660 FGEYHVNZYGIZEO-KDTXOIQASA-N 447.515 1.517 30 10 IDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1516054348 WYOPCVSTGUBVQR-QGZVFWFLSA-N 446.483 1.992 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1516219952 DXRISUDYZXVZED-UTKZUKDTSA-N 444.467 1.437 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1516974090 ANKKVBSBELIGBJ-HSZRJFAPSA-N 437.548 1.188 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)C[C@H]1OC 1519502941 ZQVJOJLUBFQCPP-BGYRXZFFSA-N 438.532 1.973 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 1534482807 TUYOTOQXHAPASO-UHFFFAOYSA-N 431.414 1.948 30 10 IDEE CN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CCN(S(C)(=O)=O)CC1 1535066721 FDTUWDNZAJAPCW-AWEZNQCLSA-N 438.937 1.447 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC 1535092217 WTWGVWIDWLQWJG-AWEZNQCLSA-N 431.894 1.812 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1539005037 XKKYFFMUFWRHSG-WAIKUNEKSA-N 438.532 1.920 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539221313 ZPHCSEWWAJNWSI-GOSISDBHSA-N 437.610 1.214 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(CC)C2)CC1 1539484285 JYRXJOTYDZLGJO-FQEVSTJZSA-N 435.576 1.572 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539504353 DWXKWKUUWCTHMU-HUUCEWRRSA-N 435.937 1.720 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 1539633297 YAVWYSIQRODFAO-BDXSIMOUSA-N 440.566 1.013 30 10 IDEE Cn1cc(N2C[C@H](C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)CC2=O)cn1 1540713829 DKDVAUJUYBYRPR-OAHLLOKOSA-N 432.488 1.162 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1540868242 XPNPTWDUBIWWSJ-HNNXBMFYSA-N 429.525 1.689 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1554978717 DOVYUIXJTKHMNO-YJBOKZPZSA-N 447.517 1.029 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1555817670 GXULGCHHLBWPCY-GOSISDBHSA-N 440.476 1.377 30 10 IDEE C[C@H](NC(=O)[C@H](C)N(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1559976197 MPNOYSURJFRTPK-AVYPCKFXSA-N 430.530 1.437 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1)c1cc[nH]n1 1570297284 CMUWNTPAUVOBHY-OAQYLSRUSA-N 426.429 1.330 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587668335 XLLRHRRUMLAINF-UTKZUKDTSA-N 432.546 1.481 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1587878897 IZMCIRQAPHVUTN-UHFFFAOYSA-N 438.492 1.444 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1587989037 FLIYRQBRVUUEHF-WOJBJXKFSA-N 443.573 1.151 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588051023 ZNLYYWPSSFZSSX-CQSZACIVSA-N 440.476 1.034 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1588162094 IVNUZTKIGLSRTE-UHFFFAOYSA-N 437.525 1.626 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1589116708 LGIKCGMFZYYKMM-INIZCTEOSA-N 429.546 1.899 30 10 IDEE C=C(C)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1593682747 AJANLEAWDKGNMD-GASCZTMLSA-N 425.555 1.860 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1595452999 HUZWWXTZTPNLCW-CALCHBBNSA-N 447.584 1.445 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595476644 MHHVNHRFJSVWFB-XKQJLSEDSA-N 445.451 1.974 30 10 IDEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595860484 QYYKHTWDRNGQOF-UHFFFAOYSA-N 440.573 1.792 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1619951541 HIGRKFVXIGYCSA-FQEVSTJZSA-N 440.548 1.924 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C#N)CC1 1620176263 OGVCHGCEVFOKFY-UHFFFAOYSA-N 438.504 1.826 30 10 IDEE COc1cc(COCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 1625121490 VKWNYFCKNDMOCP-UHFFFAOYSA-N 430.486 1.012 30 10 IDEE C#CC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1627368149 MNPAYBMPLBOIJI-SFHVURJKSA-N 449.548 1.701 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)N4CCOCC4)CC3)CC2=O)cc1Cl 1629384229 GBAVQNLTXHMKOU-INIZCTEOSA-N 445.907 1.161 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1631482717 HGILWAWETFKASB-NCOADZHNSA-N 428.551 1.460 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)CC1 1633014802 RHSPCSMKZRPMQX-OAHLLOKOSA-N 438.525 1.470 30 10 IDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1633044403 FOAPVJYGCWJUSG-IBGZPJMESA-N 449.596 1.976 30 10 IDEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1633895002 NZUGGAZHWKRALY-GOSISDBHSA-N 447.557 1.180 30 10 IDEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1634283540 ZXLWRNAFXORFAA-GOSISDBHSA-N 441.465 1.483 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2nc(C#N)cs2)c1 1639619386 OZPHYZWNJPOMMB-UHFFFAOYSA-N 435.531 1.091 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1639821851 MPUUYAURSKSTHJ-GDZNZVCISA-N 433.477 1.275 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1640636783 COXDUUVBXRHKGM-HOTGVXAUSA-N 443.447 1.342 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1649573027 RTLDUNMNWOQEDH-HMWBCQRISA-N 425.518 1.808 30 10 IDEE C[C@]1(C2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1652066137 KSUPYTCXSQXHLL-VGOFRKELSA-N 439.472 1.500 30 10 IDEE CN(C)c1nccc2c1CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1653817317 OXHFKBNZXGLYAV-IBGZPJMESA-N 432.484 1.809 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)sc3ccc(Cl)cc23)CC1 1663864446 UKBLHQQITZOUEC-UHFFFAOYSA-N 447.991 1.637 30 10 IDEE C#Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 1666431105 DSVOAGNENSKPNC-GOSISDBHSA-N 447.538 1.455 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nnsc3Cl)c2)CC1 1679475421 TXIKSQGSEIYHPS-UHFFFAOYSA-N 440.938 1.476 30 10 IDEE C=CCn1cc(CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)nn1 1686416464 LCRWHYUTNUBHSO-UHFFFAOYSA-N 433.321 1.549 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1690047711 XJSGZDSFLHZCLE-MUGJNUQGSA-N 445.589 1.510 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1690120551 YPJBPHHNNHIHDR-UHFFFAOYSA-N 432.532 1.184 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690299330 NSQXJJDUZUMHGA-ICSRJNTNSA-N 432.569 1.323 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690310106 UECUNTJKIGCICW-SFHVURJKSA-N 445.568 1.550 30 10 IDEE C=C(Cl)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1690358802 LDYGSJQZRPEWMZ-IBGZPJMESA-N 427.933 1.366 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)COC1 1690558619 WMWZQIDWPJTXJH-INIZCTEOSA-N 444.561 1.989 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1690669504 HLVNWAPAMLBTEI-IAGOWNOFSA-N 428.468 1.248 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690674279 VMWGFPOTNHXOHI-IRXDYDNUSA-N 432.550 1.320 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1690726548 DDPSLOXXBPMSCT-QGZVFWFLSA-N 431.562 1.331 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCO)CCOCC(F)(F)F 1696588189 GUNWTTQEICCYQB-UHFFFAOYSA-N 440.426 1.283 30 10 IDEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCOCC1 1697804552 GUIRPYVYABVHQS-UHFFFAOYSA-N 445.545 1.495 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1698298660 STEOYUAAIFZJAU-ROUUACIJSA-N 431.518 1.246 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705543687 ORZISLQXBZOYEJ-UHFFFAOYSA-N 440.479 1.930 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCc2ccco2)CC1 1705636216 BNMSUMYRPVAUQJ-UHFFFAOYSA-N 439.907 1.658 30 10 IDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705689003 BKKNVQTWVRAOLV-CYBMUJFWSA-N 438.355 1.756 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705696033 DTRMZHHRLSTOIT-XGARDCMYSA-N 430.597 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705935319 NOGDPKVSIMILER-HNNXBMFYSA-N 436.534 1.512 30 10 IDEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncn(C)n1 1706920443 FFXHHMFDXDIINZ-BBRMVZONSA-N 428.884 1.977 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCOC1 1711045629 IFCIDBFAOQRTLN-MJGOQNOKSA-N 445.545 1.921 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C1 1712595993 MOIWWHHVXSOWJF-LJQANCHMSA-N 440.504 1.901 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(CN2CCOCC2)CCCCC1 1722341885 OFYUYIQPXICPCH-UHFFFAOYSA-N 428.581 1.866 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722378438 TWUKJQMOURZMGE-JOCHJYFZSA-N 428.540 1.971 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1722412907 FTELPXXMEYXGOO-FQEVSTJZSA-N 427.574 1.698 30 10 IDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722664796 AMNRYIHNQJGZKF-PMACEKPBSA-N 440.566 1.047 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 1722695430 CGFJOAYOALVUMZ-UHFFFAOYSA-N 432.912 1.196 30 10 IDEE Cc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726383254 NYBDQVOQMMJFRN-IGCQWYOMSA-N 426.452 1.350 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1729348955 GVRPCYJJCVTCTL-KRWDZBQOSA-N 442.545 1.486 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCOCCS(C)(=O)=O 1729408834 NLCFRSQSGJXJRV-UHFFFAOYSA-N 443.533 1.248 30 10 IDEE COc1cccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1730211855 HDMDOENMSKATBN-HOJAQTOUSA-N 426.521 1.822 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCOCC(F)F)cc1 1731181326 AGYODHGTSSPRFS-OAQYLSRUSA-N 446.458 1.869 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740619940 BAHKGDNNPLIQEW-ICSRJNTNSA-N 442.589 1.699 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740645614 JONKIXDVICXOSN-PMACEKPBSA-N 449.559 1.888 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1740951776 NLUVBSYLQWELLL-HUUCEWRRSA-N 446.939 1.777 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1740959423 VBWONFODYGYFHL-HZPDHXFCSA-N 444.536 1.949 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1745335180 BQQVCIJABFXZBT-IBGZPJMESA-N 447.561 1.883 30 10 IDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748483075 FMNLUQXSFAUMHK-ZZEZOPTASA-N 433.472 1.568 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748635743 WYQYHIOXKBWHIP-BZSNNMDCSA-N 448.593 1.176 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCCc1ccccc1 1748689396 BOOKGDICANHSRY-CUWPLCDZSA-N 425.533 1.819 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1748809594 OFVQFGHYHQGBSD-QGZVFWFLSA-N 430.530 1.617 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748815145 NRQJVSQUMIUNSQ-MRXNPFEDSA-N 440.591 1.140 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1748818451 ZVZCYAJXPIXTQH-CVEARBPZSA-N 446.520 1.471 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC1CC1 1748915302 SGNNYVWTNSDAPK-UHFFFAOYSA-N 444.561 1.181 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749127338 KUTMZVRTAYYSFT-HDAAZOAOSA-N 446.596 1.757 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1749684061 OUTJKFHDLRSJIP-HKUYNNGSSA-N 438.532 1.934 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CC(=O)N2CCOCC2)C1 1749717636 NRUHLPOFMCBABT-HXUWFJFHSA-N 425.533 1.703 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1750203321 CAJCMWYDLNOSSJ-CVEARBPZSA-N 431.474 1.366 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1760138167 SMJMMOZISHYDMV-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760143720 PMHHHKRGKBZJFH-NFBKMPQASA-N 431.581 1.892 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1760201792 JNAHIMNQULASBK-LEWJYISDSA-N 432.528 1.376 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cccs2)CC1 1760262010 GCXFWPQPWVJIPK-UHFFFAOYSA-N 435.557 1.511 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1760306628 HCLCIZBEQULSCP-AWEZNQCLSA-N 437.342 1.729 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)C1 1760543091 MXMVYNYDMUFIDG-IRXDYDNUSA-N 435.550 1.809 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(N)=O)CC1 1760561590 GLCXMGSLCNTZSY-UHFFFAOYSA-N 439.549 1.542 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1763742825 VHEWWPCVFHUEMN-YTQUADARSA-N 425.537 1.925 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1766441791 LHVSAXPOMPAXBZ-LJQANCHMSA-N 446.577 1.408 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1766610889 QZOLDHHIZCTBPU-WZONZLPQSA-N 440.548 1.515 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1 1766715506 PYMVTFTWSSMBOP-CQSZACIVSA-N 438.941 1.657 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCCCO 1767063346 BREQZHVBPLOBTD-SFHVURJKSA-N 449.602 1.804 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCOCC2)cc1 1768744271 AHMQXWHCNUKPHQ-PXNSSMCTSA-N 442.520 1.315 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769107199 PTEMDPJRYBAFAC-QGZVFWFLSA-N 438.536 1.147 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1769290431 AVVDMSKJWQTKCR-YJBOKZPZSA-N 430.484 1.770 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769866936 XFNITKFNFYSYPE-UHFFFAOYSA-N 431.456 1.910 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1770217477 NWZVNZAXEZRGGA-HAGHYFMRSA-N 448.568 1.088 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCCO[C@@H]2CCOC2)CCO1 1771539118 NXPQQMZOGVYOBV-WOJBJXKFSA-N 427.505 1.824 30 10 IDEE CN(C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1snc(N2CCOCC2)c1C#N 1852588750 QHRYXNZDJSUYBA-KRWDZBQOSA-N 439.541 1.905 30 10 IDEE C=CCN1C[C@@H](C(=O)OCC[C@@H](c2ccccc2F)N2CCS(=O)(=O)CC2)CC1=O 1852861417 JCWMUQPCYUUZDA-LPHOPBHVSA-N 438.521 1.565 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCCc2cnc[nH]2)sc2c1CCC2 1872707398 PQLOTDUGTRPPPI-UHFFFAOYSA-N 427.446 1.205 30 10 IDEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1890705161 NVNFPHDXPKVVAY-HXUWFJFHSA-N 448.545 1.744 30 10 IDEE N#Cc1c(I)cc([C@H](O)C(=O)O)cc1I 2060283399 HELGYEGFGHRKHE-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060633812 RUDUOUQWADGJMC-GXTWGEPZSA-N 436.318 1.643 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)nn1 2124523026 APAJNCLGHFAUFB-MIFYACCESA-N 447.345 1.967 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243386627 DSRFEAHOAXDCEA-LLVKDONJSA-N 427.332 1.058 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2244369986 BKNKKPXFQBFSIJ-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255658809 JLKHZYSWNOMLRI-LLVKDONJSA-N 448.251 1.894 30 10 IDEE Cn1nc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255658812 JMQNEFGOOFHTQK-CQSZACIVSA-N 434.346 1.706 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@@H]1OCc1ccccc1 2255747159 GFVAMPKDUIDPSE-HOTGVXAUSA-N 448.354 1.140 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818432 LAOOYURLKBSIOP-KRWDZBQOSA-N 429.326 1.369 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 2255830361 FAAJDYMCJYICMM-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(NC(=O)OC(C)(C)C)CC1 2255860579 FCWNHJBOVFUHBA-UHFFFAOYSA-N 435.334 1.292 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267275359 NBAXSOJGAVLCQA-IJEWVQPXSA-N 444.341 1.904 30 10 IDEE C[C@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267478046 SNPQDBPRMQINKF-WFASDCNBSA-N 441.259 1.910 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2267572087 QRPGKJCWFDZMGH-OCCSQVGLSA-N 443.275 1.853 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267880289 AALZRCYJXAVJHS-PEBXRYMYSA-N 444.341 1.905 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268638098 HITRNMMQYYIJDY-HNNXBMFYSA-N 449.313 1.776 30 10 IDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2287685200 DYUWONHNRZNFNG-PXNSSMCTSA-N 440.518 1.187 30 10 IDEE CC1(C)OB(c2ccc(NS(=O)(=O)C3CC4(C3)OCCO4)c(F)c2F)OC1(C)C 2295340055 QOUYIQQCSMBMPQ-UHFFFAOYSA-N 431.266 1.911 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2312902917 JJRQDFZAQGFRME-MELADBBJSA-N 430.314 1.513 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1O 2327841526 LLNFDSXOODJOQS-ZDUSSCGKSA-N 446.533 1.566 30 10 IDEE CCS(=O)(=O)N1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1 109891621 IIPJMVJDXDLNLP-QGZVFWFLSA-N 436.559 1.460 30 10 IDEE N/C(=N/O)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCO1 123413424 HMJRETMMGDYTDZ-SECBINFHSA-N 443.117 1.348 30 10 IDEE COc1cc([C@@H]2C3=C(NN/C3=C3/C=CC=CC3=O)C(=O)N2CCCO)cc(OC)c1OC 135727918 GWXIQVGRCAOJAP-LUDQZLGDSA-N 439.468 1.289 30 10 IDEE C[C@@H](C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1)n1cnc(C#N)n1 409460120 ZDLXWBHQWNEBFI-AWEZNQCLSA-N 426.506 1.599 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)n[nH]1 440763764 SEACJLHKVCUHIT-CQSZACIVSA-N 427.534 1.648 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cn1 462091290 SEQAJBPVSYWUFC-DLBZAZTESA-N 430.490 1.339 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@H]1CCCO1 477319101 YXAXPMFXPNBPJK-GOSISDBHSA-N 443.544 1.956 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)Cc2sccc2Br)C1=O 482946272 NLSHDELSYVDLMJ-UHFFFAOYSA-N 444.307 1.462 30 10 IDEE Cn1ccnc1-c1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C)n1 484945883 LFFMGTIXHCPBCZ-HNNXBMFYSA-N 432.444 1.536 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 505658301 IWAKXAQGWJTRER-UHFFFAOYSA-N 447.564 1.811 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)CC1 511934953 QNAMSQZABQUTOJ-PGRDOPGGSA-N 441.507 1.535 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@H]2CC(F)F)CC1 513404981 CCJNREIOOOATKD-CQSZACIVSA-N 435.431 1.811 30 10 IDEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 514306617 MHPAXPPARLYFLQ-KRWDZBQOSA-N 439.537 1.269 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)n1 546219768 LAXIJKWNYWBAOI-GOSISDBHSA-N 426.546 1.920 30 10 IDEE N#Cc1cscc1C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 550304762 MBTNQUMFROXRCZ-UHFFFAOYSA-N 433.511 1.928 30 10 IDEE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCC1CCN(c3nccnc3C#N)CC1)C(=O)C2 585227101 NHFMQZOMRUVEON-HRAATJIYSA-N 431.562 1.879 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3C[C@@H](C[C@H]4COCC(=O)N4)c4ccccc43)cc2)c1N 588775984 XOQPMWVRYMNKOL-AEFFLSMTSA-N 442.479 1.975 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1C(=O)N(C)C 609673312 WGDJRUWJBURYEY-UHFFFAOYSA-N 429.502 1.175 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@@H]2C(F)(F)F)CC1 611179088 QYFTXPYMYHNFNA-OAHLLOKOSA-N 439.394 1.718 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 614892345 KNZIWIVKXHSVTB-UHFFFAOYSA-N 426.494 1.604 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2SCc2nc(C)no2)CC1 729257145 UHLZWODAMUYQCM-UHFFFAOYSA-N 427.530 1.568 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)CCN1C1CC1 732706486 LOSRDYPYIPRSKB-QGZVFWFLSA-N 434.500 1.209 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)C[C@@H](C)O1 735308876 WVNGTPCPKAVHHU-IYBDPMFKSA-N 442.969 1.714 30 10 IDEE COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755038836 CXKMDNXSZKSXPV-UHFFFAOYSA-N 440.550 1.256 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 767488643 FUWWKPGOKDUGTH-FZTQNYJHSA-N 428.551 1.831 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(C[C@@H]3CCCO3)c2=O)c1 772278119 LKLYCJGCGNHMIO-SFHVURJKSA-N 437.496 1.952 30 10 IDEE C#CCN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@H]1CCS(=O)(=O)C1 782585853 WHEPYCLPTFVURQ-JTQLQIEISA-N 427.276 1.043 30 10 IDEE CN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Br)c3)cc2C1=O 790838755 HEAFHYIGYBNDSS-UHFFFAOYSA-N 448.254 1.665 30 10 IDEE C=CC[C@]1(C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CCCN1C(=O)OC(C)(C)C 791719758 LDKXCRXRXAABOS-XCGNWRKASA-N 437.537 1.988 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)NCc3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796425610 QQKMYCMOBBPOAK-GHTZIAJQSA-N 437.500 1.839 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(C#N)oc1C 797887140 AQJBYDKTWQLBKY-GFCCVEGCSA-N 435.458 1.903 30 10 IDEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 798364544 MQERUBDNWKOMBJ-IAGOWNOFSA-N 431.562 1.747 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 802142809 FZKCGPZDVBBRJS-MRCUWXFGSA-N 427.480 1.889 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 812185843 DETHJXFDZHJAIZ-HNNXBMFYSA-N 443.570 1.643 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)Cc1cc(C#N)ccc1F)CCO2 814398277 VDGLDTAXQZROIO-UHFFFAOYSA-N 425.482 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3cnc(N4CCOCC4)c(F)c3)NC[C@@H]2C1 849086047 NMQBUJAEOCWDIJ-MRXNPFEDSA-N 434.516 1.438 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnn(-c4ccccc4)n3)nc2)CC1 916542252 GUFAHVYHOKUSOT-UHFFFAOYSA-N 426.506 1.044 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)c1 1125189327 SQVUMCPRHHLCAM-RJHYDAJSSA-N 432.506 1.380 30 10 IDEE Cc1c(C#N)c(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)nn1C 1130178736 OATIHBHEBJYHRO-UHFFFAOYSA-N 426.296 1.865 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1133110983 SYMUQJFVNBTNAK-HXUWFJFHSA-N 433.461 1.155 30 10 IDEE Cc1ccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1141601842 ZWNQHVOAHSWYEA-UHFFFAOYSA-N 437.305 1.762 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)C4(C#N)CCOCC4)C3)[C@@H]2C1 1152887107 LPUZXWLVPMULJN-XHSDSOJGSA-N 434.493 1.348 30 10 IDEE CCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(N)c1 1154117159 RRCYGBBISGZLNX-IBGZPJMESA-N 426.498 1.859 30 10 IDEE C#CC1(O)CN(C(=O)[C@@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)C1 1158398837 YYNMTSCZSCCWTM-ZBFHGGJFSA-N 426.332 1.249 30 10 IDEE COC(=O)C1CC2(C1)CN([C@@H](C(N)=O)c1ccc(C#N)cc1)C[C@H]2C(=O)OC(C)(C)C 1176052247 NCBDWQVEZZSNSO-POTGORPSSA-N 427.501 1.928 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(Br)cnc1N 1182090014 AOOGYBRQLVBLGV-JTQLQIEISA-N 438.307 1.281 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1213383545 TXDUOZPBLZPMRA-HNNXBMFYSA-N 436.939 1.480 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)C1 1255364098 OIGRBZBOWACPQO-CQSZACIVSA-N 444.479 1.217 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286335804 FDJJDGVGWRWLBP-UHFFFAOYSA-N 436.564 1.937 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](COC)C1 1286339689 OEPJXUUJEIHXJH-GOSISDBHSA-N 447.561 1.460 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1286400208 ZDQPGQOHBQXZCU-INIZCTEOSA-N 435.463 1.841 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(OC)cc2)CC1 1286471894 SQXGHRGCVBXLPT-UHFFFAOYSA-N 438.532 1.357 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1286528738 MQZDASMXHGPECY-PKTZIBPZSA-N 425.533 1.924 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1286546025 FLVMWIFHPWDDLF-ZWKOTPCHSA-N 440.552 1.514 30 10 IDEE C=C(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286598510 NJKCMESLSOYTJU-CALCHBBNSA-N 448.568 1.920 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286611109 FBYRVQICPKHZEQ-KRWDZBQOSA-N 441.598 1.625 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1286759233 MQRSBUWESLUHQL-UHFFFAOYSA-N 448.575 1.859 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286786308 BEZUWPZFMDYNTQ-HNNXBMFYSA-N 442.545 1.742 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286789815 IAYJDWSZNHNYPK-GOSISDBHSA-N 437.504 1.635 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286817497 UNUCRYINBJZAQV-FQEVSTJZSA-N 433.509 1.401 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)OC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1288060252 LZCPENSQQCDNCX-FBMGVBCBSA-N 431.497 1.253 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1288528787 BTVOMEANYPSTPX-ZIAGYGMSSA-N 436.563 1.443 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCO[C@@](C)(C#N)C3)CC2=O)cc1 1289338678 CEQNOGCLSIYKFA-KKSFZXQISA-N 448.545 1.211 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)cs1 1290435016 DNNLAOYIBVUATA-MRXNPFEDSA-N 436.563 1.187 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1291189375 ABZQSZFHSQHJMI-DOTOQJQBSA-N 442.545 1.308 30 10 IDEE Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ncc1C#N 1292368120 JJTJOARVWHQUIG-UHFFFAOYSA-N 442.497 1.570 30 10 IDEE N#Cc1cccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1Br 1292695498 UGCRMTMEFNVXFC-UHFFFAOYSA-N 443.305 1.579 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@](C)(C#N)C1 1297785549 KARGDSMZIDSFMP-GOSISDBHSA-N 437.595 1.703 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(CC(F)(F)F)C1 1298796731 SMIXBEJTCVQPIW-ZDUSSCGKSA-N 432.468 1.648 30 10 IDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1298886100 CTDGXFCHAUTGIO-TWOQFEAHSA-N 438.573 1.743 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1(c2cccc(C#N)c2)CC1 1299864466 YCVMPAGDBNXSAI-UHFFFAOYSA-N 428.470 1.935 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1300041280 BZUGJSOESHZQIM-IBGZPJMESA-N 436.513 1.723 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1300309543 HURAWIYHCMTCCP-DOMZBBRYSA-N 438.579 1.191 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1300334109 HVOSESPOQTWQDG-UQNRQAKVSA-N 439.516 1.378 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1300410495 NVIPUXRHFQRBMU-LJQANCHMSA-N 447.605 1.823 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1300487419 JFUZEFAZSAWLLY-CQSZACIVSA-N 425.461 1.596 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(OC)CCOC1 1300536292 UJAPCMXQBHNUJQ-HSZRJFAPSA-N 435.532 1.330 30 10 IDEE C[Si](C)(C)C#CCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1300588649 UWWFMOYDNUOXPJ-QGZVFWFLSA-N 444.651 1.155 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCCn1cc(CO)nn1 1300591557 SNFUYPVZWXKEII-UHFFFAOYSA-N 442.527 1.918 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ncn(C)n2)CC1 1300690708 GXILPFOIQGOTDY-UHFFFAOYSA-N 436.520 1.284 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCOCC2)CC1 1300716376 LSNKECJUVGUZRU-HSZRJFAPSA-N 445.564 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1300726372 OBHCIRNSHYMQJA-CVDCTZTESA-N 429.565 1.781 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301082573 JGQULNBMTXOJDF-ZWKOTPCHSA-N 430.484 1.818 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1301158804 PIPWWOQPVFLOIM-FQEVSTJZSA-N 441.598 1.614 30 10 IDEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301373290 USCWUSUJQABNAQ-HXUWFJFHSA-N 440.566 1.048 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS(=O)(=O)CC1 1301485566 YNNPYWDYHCUIQI-CQSZACIVSA-N 449.602 1.668 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301496628 DQFJYUAERNGELZ-VGOFRKELSA-N 426.521 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)CC1 1301579066 MFWOGTAZZLYREL-UHFFFAOYSA-N 448.593 1.185 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1302054807 VBWXTKSLAWNCCJ-XMSQKQJNSA-N 434.585 1.979 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1306422351 WXGPGTARPJRDQY-PVHMMBIOSA-N 425.493 1.803 30 10 IDEE CC(C)n1c(S)nnc1CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1312627666 XFCCFNHFLJZIEM-MRXNPFEDSA-N 427.534 1.662 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1313755963 FWPHPBPWJOSBGQ-HXUWFJFHSA-N 437.504 1.904 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1314633000 AGTRFIKJIJJXLU-SFHVURJKSA-N 436.520 1.335 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1316064326 AIRDYSWAYWPHFL-HSZRJFAPSA-N 437.548 1.501 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1316567487 MZVPUHBXHANVNL-XEVXXXDWSA-N 440.426 1.840 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 1318460516 JQYVMNRZOWMTQK-UHFFFAOYSA-N 449.536 1.320 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CC2(C#N)CCOCC2)CC1 1354833992 XLPLINVHMWZWMU-UHFFFAOYSA-N 436.490 1.447 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1358936989 FEZUIVGSHJBLPZ-ICSRJNTNSA-N 443.552 1.819 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1358957542 VUEQGGNCPREOQB-QFBILLFUSA-N 442.607 1.310 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1358976447 FFUBWCIZJASMPS-UHFFFAOYSA-N 437.548 1.105 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1359010325 LZXYQODSECSXIB-KRWDZBQOSA-N 437.591 1.743 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ncn(C)n2)CC1 1359031152 RKOBFSWNNAFSCN-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359036844 LGORKTOBOLHDKW-VQTJNVASSA-N 425.533 1.173 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS2)CC1 1359040195 LHETZAYOQUFXAY-QGZVFWFLSA-N 430.578 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1359040646 CODYMYZMZMRYPK-LJQANCHMSA-N 438.580 1.770 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359072583 JOCJJADBMZRYOF-FGZHOGPDSA-N 428.558 1.605 30 10 IDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1359128346 RCTDVVSTALXUMS-UHFFFAOYSA-N 435.550 1.628 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359132839 GQPSGXUEZXYOEH-ZWKOTPCHSA-N 447.561 1.826 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1359272374 QPIIWMQLGPWJTP-INIZCTEOSA-N 428.580 1.183 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2cccs2)CC1 1359291647 YUDLRKAQGJWKTA-UHFFFAOYSA-N 444.561 1.879 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359304113 MJZQEQKBIBOHQU-KRWDZBQOSA-N 442.520 1.745 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)C1 1359321341 FFTZIXQZGIJHNK-SJORKVTESA-N 446.577 1.471 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)s1 1442031192 FCSRWLHYUIVNLR-MRXNPFEDSA-N 437.543 1.655 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)s1 1453389717 JANICDPCQWUDMT-CQSZACIVSA-N 430.548 1.324 30 10 IDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1453768095 CQJCLWFEOZBYGO-FZKQIMNGSA-N 434.543 1.449 30 10 IDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)CCC1 1456388299 CRCHYLFQUVHTEF-HSZRJFAPSA-N 439.516 1.847 30 10 IDEE C[C@H]1CN(c2ccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C[C@@H](C)O1 1460828224 GUIPNSLQPUSIBA-DLRJPAPCSA-N 432.546 1.109 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1469930242 TXZGALAYBTYPKP-UHFFFAOYSA-N 447.916 1.744 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)C1=O 1470922358 ZEUQDNUCHHZCSP-AWEZNQCLSA-N 426.395 1.401 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 1474858331 FJAQZWQALWBWRK-GFCCVEGCSA-N 445.360 1.752 30 10 IDEE COc1ccccc1C[C@@](C)(CO)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478567141 GWYKRTRETKJSMX-RDPSFJRHSA-N 436.512 1.961 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCS(C)(=O)=O)n1 1492508297 NKTUIMQWSJWBET-UHFFFAOYSA-N 432.550 1.840 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CCOC(C)C)CC2)c1C#N 1492727800 IHLDPFPXODLKRQ-GOSISDBHSA-N 428.541 1.795 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1501217809 HOZKJQXEJGKYHP-KRWDZBQOSA-N 439.520 1.217 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1502208077 FBDWHTQOLGBLIJ-UHFFFAOYSA-N 428.522 1.357 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1507522690 XPIWUZIBZYMNQJ-DLBZAZTESA-N 431.562 1.527 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2([S@@](C)=O)CC2)n1 1507714307 MKJKUMLARAOOOP-SSEXGKCCSA-N 432.594 1.969 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCOC2=O)CC1 1507733193 ZNCHJBREBKKQFW-UHFFFAOYSA-N 438.532 1.763 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1507874504 ULKTYFYAUNBKIT-HXUWFJFHSA-N 429.613 1.944 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1507875761 XGSMZDZFLGKZED-UXHICEINSA-N 425.961 1.984 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507952370 QXUIMJUTRSCIKU-SFHVURJKSA-N 435.598 1.872 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(C)(=O)=O 1507982015 JUAGTIJCNSJDAM-UHFFFAOYSA-N 432.594 1.310 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CCN(C)C)CC1 1507982181 MXXLEEMZMOQAEQ-UHFFFAOYSA-N 429.569 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508080903 FTOQRTKDSKOAON-GOSISDBHSA-N 442.495 1.214 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C(C)C 1517449399 BQGVEYVTGFMWQE-INIZCTEOSA-N 425.537 1.797 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1518760032 ZEGRLWZEUCKSIO-MRXNPFEDSA-N 441.467 1.322 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCS(C)(=O)=O 1539004998 NUWNCFLFLFNSCS-CQSZACIVSA-N 444.517 1.113 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539058106 ABMFQCDVVJUCJV-IBGZPJMESA-N 439.516 1.861 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 1539118653 CTRNQMGGCFCSHJ-GOSISDBHSA-N 437.610 1.388 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539202733 KNBIYLLIJGFRLO-MSOLQXFVSA-N 437.610 1.529 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCS(C)(=O)=O 1539384363 FQTAOURTUPKDKK-UHFFFAOYSA-N 435.525 1.630 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCO2)n1 1539423995 JCNKIERLWRZMTG-AZUAARDMSA-N 428.537 1.834 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(OCCOC)CCOCC2)CC1 1539447128 OLHKYQPOHPVIMK-FQEVSTJZSA-N 447.580 1.140 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1539462305 SDVJJZMQJBJXCG-XMMPIXPASA-N 438.576 1.296 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540862327 ZDMDDDSHTZVFJE-QAPCUYQASA-N 426.521 1.657 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540874937 WSWDOUKJQBGXAF-LJQANCHMSA-N 435.532 1.644 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540876395 PUXFSONCYFQNBN-QFIPXVFZSA-N 434.585 1.541 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@H]3CCOC3)cn2)C1 1540883124 UPYOFBDCFKAECY-HKUYNNGSSA-N 443.552 1.598 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CC(=O)c4ccccc4O3)C2=O)cc1 1544633274 NUGGAOKSOKQQIT-SJLPKXTDSA-N 432.436 1.913 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554308346 RYIARPWCEVLCDC-STGLLQLASA-N 445.524 1.007 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1555615744 UFSAZIUDWQKVTP-JTSKRJEESA-N 428.537 1.577 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)Nc1c(C)cccc1C 1555671655 RMBNENTZPKPOQU-QZTJIDSGSA-N 442.520 1.986 30 10 IDEE CS(=O)(=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)CC1 1555791910 APALKVRBZDRVGV-UHFFFAOYSA-N 448.574 1.587 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1555816542 PTLFOFMMTFHHCW-MOPGFXCFSA-N 444.561 1.619 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 1559897837 YIZUQSMIUYVRFS-INIZCTEOSA-N 435.484 1.710 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC(=O)N1CCOCC1 1566996849 NTWBMJUVDOKVGD-IBGZPJMESA-N 428.489 1.368 30 10 IDEE CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1567248873 BXXKFMVAEAJXHA-RBUKOAKNSA-N 430.553 1.006 30 10 IDEE C[C@@H](CC(=O)N1CCC(O)(Cc2ccncc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1568454438 FCUBSUIDZWXNQP-INIZCTEOSA-N 442.541 1.495 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)C1=O 1585501908 WBGROCILXXHNBI-KKUMJFAQSA-N 436.509 1.361 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCc2cn[nH]c2)c1 1587684424 WZHFLBQBGUKWLR-UHFFFAOYSA-N 446.515 1.536 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588045427 KKZFVDLIMQKMGE-SFHVURJKSA-N 430.578 1.697 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@](C)(O)CCOC)CC1 1588864897 LHYJRCZEMONIPX-XMMPIXPASA-N 436.560 1.824 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2)CC1 1588923876 OUPUNUFCYFKTGC-GOSISDBHSA-N 440.935 1.897 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2c(C)noc2C)CC1 1588929812 HGSFNWYVISVTLV-IBGZPJMESA-N 440.548 1.985 30 10 IDEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1594546213 XLEAMJMFXPIPNX-ROUUACIJSA-N 429.546 1.824 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCNS(C)(=O)=O 1595156462 MQPYSPISWYQGKT-OAHLLOKOSA-N 425.580 1.975 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C)C(=O)C2)cc1 1595608645 VSXLDHCHXMIOHT-UHFFFAOYSA-N 447.499 1.817 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1595714657 PEGKGWIGMXXXCO-WMZOPIPTSA-N 445.545 1.462 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(Cn2ccnn2)CC1 1595773341 YGRLIHGRYNFTDV-UHFFFAOYSA-N 445.549 1.955 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1598167775 LCMJKGCDTCLPNG-WMZOPIPTSA-N 436.530 1.581 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1614174470 PALHTOJGAZLBAB-UDJKBAMHSA-N 443.552 1.959 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CC1 1615209412 PTRGHDXSCJHLQB-WOJBJXKFSA-N 444.507 1.019 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C#N)CC1=O 1619927290 DJFOPKPMWAEQIU-CVEARBPZSA-N 441.492 1.944 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN(C)Cc3nnc4c(=O)[nH]ccn34)c2C#N)C1 1620547144 GKOJDZNMXXFXIL-GFCCVEGCSA-N 425.518 1.936 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1623390997 KSIUKLSFJSIANR-CQSZACIVSA-N 429.564 1.792 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]([C@H]3CCCO3)C3(CO)CCC3)C2=O)cc1 1627657437 XUFWZMHLOLSPJD-QWFCFKBJSA-N 440.500 1.590 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn([C@@H](CCC)C(=O)OCC)n2)c1 1632458096 UOZFKVQXANTXGQ-KRWDZBQOSA-N 432.502 1.951 30 10 IDEE CCN1CCN([C@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1632797194 OGNYHVFDVXZXSL-SUYXUUSGSA-N 433.597 1.915 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)[C@@H](C#N)C1 1635213638 HRXNUJXONXWWMG-ZDUSSCGKSA-N 440.547 1.398 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)c1=O 1641281784 HIDADRZPOMKIIN-HXUWFJFHSA-N 438.871 1.433 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 1644214855 QHGUKJLZOAHUOX-HNNXBMFYSA-N 430.408 1.844 30 10 IDEE CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1654058652 BQTNKHWBKOUAMC-UHFFFAOYSA-N 443.367 1.495 30 10 IDEE CC(C)(C)OC(=O)N1CCC(CO)(NCC#CCN2C(=O)c3ccccc3C2=O)CC1 1654760766 GYXJFJJFNGVXJE-UHFFFAOYSA-N 427.501 1.638 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC(S(=O)(=O)N2CCCCC2)CC1 1655680212 AZDVCTSXINDQHQ-UHFFFAOYSA-N 429.542 1.566 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 1661513102 ODQMPJLQLOGHQI-LLVKDONJSA-N 436.458 1.007 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCc2cnc3c(Cl)cnn3c2)C1 1681435495 WUXXKGKJNNTXOZ-ZFWWWQNUSA-N 433.900 1.983 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Br)cc1 1683512669 PRFBBROTQTZXBP-MRXNPFEDSA-N 426.336 1.943 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689862673 DWUCLIONWZNAEY-MSOLQXFVSA-N 431.562 1.905 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689992997 SUGBALLKHGONBR-MOPGFXCFSA-N 445.589 1.952 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1690022698 OOEWOSYSYMXTDH-UHFFFAOYSA-N 448.571 1.607 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)CC1 1690125000 YKMSODSYLNYDEG-WOJBJXKFSA-N 448.637 1.056 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)OC)CC1 1690139129 ARJBNVSXQKYKKY-HNNXBMFYSA-N 426.477 1.854 30 10 IDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690172790 ORYOXOQRBWTBSS-UHFFFAOYSA-N 425.562 1.733 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690251209 QSPZPEGIPAQCBR-LQWHRVPQSA-N 427.553 1.788 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)CC1 1690411022 CVWUXMAVRPXSAG-RTBURBONSA-N 437.610 1.429 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690563259 LSKGUSUNBHOBMC-NRFANRHFSA-N 442.545 1.421 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)CCS(C)(=O)=O 1690721162 ZWTAZQNBIAKLGM-UHFFFAOYSA-N 446.982 1.680 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1C(C)(C)C 1690732237 XRQQJCJQPATRFJ-FQEVSTJZSA-N 425.599 1.477 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1693787618 IGGQDOHZMPFPPF-MEUCICPISA-N 425.493 1.425 30 10 IDEE CCc1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694667440 VXTLJJLDPMFXBH-MJWGMMHASA-N 430.509 1.141 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@@H]2C)CCOC1 1696046150 GWFVBRUUNYAVIE-AVRDEDQJSA-N 432.569 1.781 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1697926062 GMPLJWHSSZOKCJ-XXBNENTESA-N 440.548 1.909 30 10 IDEE CO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698276823 CVKPQGCSMJPZCI-UGNPLGLKSA-N 436.516 1.929 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCCN2CCC[C@@H]2CO)cc1 1698489250 QQTHSYCYBXOUOW-HXUWFJFHSA-N 440.548 1.802 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@]2(O)CCO[C@@H]2C)c1 1705504820 FBXRWVBIAQCPPH-MZNJEOGPSA-N 446.511 1.936 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 1705561907 VPEWBTNBKNTUGL-HXUWFJFHSA-N 441.557 1.384 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705741069 FIWJUXZBSABYRL-MHTWAQMVSA-N 449.596 1.752 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1705780569 RQPWVYFSAZQOSA-ICSRJNTNSA-N 429.613 1.905 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2cccc(Br)c2C1 1705901578 PQBGUQNSELSMAB-HNNXBMFYSA-N 445.321 1.814 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCCCC2)C1 1705917346 WERJJVZDNXLRJO-SJORKVTESA-N 441.598 1.755 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706105203 AWWDUPNZFICISO-SMXHQDLGSA-N 428.537 1.965 30 10 IDEE Cc1ccccc1OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1707682318 XIENRPOAOYGREE-ROUUACIJSA-N 445.545 1.687 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1 1711286530 BETGEDIMPZMEAS-UHFFFAOYSA-N 434.508 1.433 30 10 IDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1711464788 ASBJOVYZJPZREH-GOSISDBHSA-N 437.504 1.607 30 10 IDEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1712171370 ICJNMMPXWVMYHE-OAHLLOKOSA-N 435.529 1.963 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1722291163 CZVFBQQTFYOPLQ-MSOLQXFVSA-N 449.559 1.854 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722334635 HGWHYITVTDIVQK-IBGZPJMESA-N 430.578 1.785 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722363022 YLRXICDYFDLJBY-IRXDYDNUSA-N 434.566 1.366 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722367909 OYWUJEUEWJDWHH-SJORKVTESA-N 433.534 1.452 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(NC(N)=O)cc2)CC1 1722450598 NJSSMCDRVMIZLM-UHFFFAOYSA-N 439.520 1.319 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1722699534 VRCRVMHZYYFLFJ-GFCCVEGCSA-N 437.426 1.456 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1722702598 MTCWRYWFQBPBMG-MRXNPFEDSA-N 434.447 1.785 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722729257 HAVGFAKMWROOCW-UWJYYQICSA-N 447.561 1.249 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1726639669 SFCSCPXFFQHCFL-APFMSCDFSA-N 435.488 1.138 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1730869045 LMDOISBQIMAQLL-NZSAHSFTSA-N 432.569 1.994 30 10 IDEE COCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730926281 RMDFIHBAPNPQNE-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCSC1 1740545894 DGWBWAWVRMZBPV-LIRRHRJNSA-N 434.591 1.564 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740549573 MBABEEWIXDDDIV-LAUBAEHRSA-N 436.560 1.692 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCOCC1 1740599434 APECWRTXYZKDFC-IEBWSBKVSA-N 446.577 1.031 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1740621621 XTPXFRBNZLAVEV-DLBZAZTESA-N 436.484 1.996 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740622538 ZFHZWKNGOIZSHA-KKSFZXQISA-N 441.513 1.468 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2CCC)CC1 1740706342 WELZJVOTQSITBU-UXHICEINSA-N 428.581 1.622 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1740757489 PJJRFERCKUIUQM-YLJYHZDGSA-N 426.521 1.616 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1740796371 AGGAMQSDJYRGQC-OAHLLOKOSA-N 441.579 1.083 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1740799750 VDTBPIZTQXIMED-PGRDOPGGSA-N 433.553 1.724 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1740868086 DHJTXAGMHSEXQX-KBPBESRZSA-N 426.568 1.889 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740999404 GWOHPZUIALZRDV-OAHLLOKOSA-N 439.549 1.791 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1741724048 OJUUBCNOYYKWQS-ZWKOTPCHSA-N 429.518 1.195 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1748638609 SIIIMLWPBVCOJM-OAHLLOKOSA-N 428.460 1.407 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748829375 AQCFHHKIYKGABF-VWLOTQADSA-N 449.555 1.948 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1748864536 YUOSVCAQWZMWMB-LAUBAEHRSA-N 435.594 1.683 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2ccc(C)cc2)CC1 1748983803 DZDMGZNJNKDFBJ-UHFFFAOYSA-N 429.528 1.834 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1748990590 JLECCCOYSNNJLH-FDDCHVKYSA-N 427.524 1.974 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1749488473 LMNGHYFIEYCAMR-AWEZNQCLSA-N 434.509 1.633 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749660865 VEHADSNWSSOLPS-HNNXBMFYSA-N 442.545 1.665 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCn2nc(C)nc2C1 1749730435 DSSPOYNUJCFUAV-UHFFFAOYSA-N 428.522 1.169 30 10 IDEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1751180776 GDIMRQGICIXIOX-HNNXBMFYSA-N 429.431 1.009 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1760172221 NDWGLVCTABAMLH-INIZCTEOSA-N 429.529 1.539 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760188676 QFLDTKSVDSWWAT-OALUTQOASA-N 437.610 1.877 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1760205508 CLRRTUOBCINPNQ-SJORKVTESA-N 426.498 1.093 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760246944 JBLWQBPPWQHPBS-SFHVURJKSA-N 442.545 1.184 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760279118 RTXIWVPXCNCQPC-UHFFFAOYSA-N 429.594 1.630 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760285085 YNWKKLRVFGGALZ-UYAOXDASSA-N 426.590 1.787 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1760322540 UDCQNQLCJKAZCD-QYZOEREBSA-N 448.593 1.921 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760355639 QRMVSKAWJXTIPV-IBGZPJMESA-N 442.568 1.014 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760556773 PQYQTECZXSMGMC-HKUYNNGSSA-N 430.578 1.538 30 10 IDEE CC(C)C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1760984573 CPDWKGKEMQYJAO-DLBZAZTESA-N 445.593 1.975 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1761208015 HWVDMVLCBDZFRH-PDSXEYIOSA-N 428.493 1.702 30 10 IDEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1763385944 GCUGLXMPHPTWLD-DYESRHJHSA-N 445.545 1.657 30 10 IDEE COCCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CC1=O 1769914195 CXVDOYHDKMYFFL-UHFFFAOYSA-N 438.463 1.816 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCOCC2)CCO1 1770746429 FVXBJILMKCLDSL-CYBMUJFWSA-N 437.298 1.306 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCN(C)C1=O 1849199639 NURYIIKHSOKOET-IAGOWNOFSA-N 425.938 1.738 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 1851560892 KIFFMOQSUBGWLT-LJQANCHMSA-N 443.529 1.665 30 10 IDEE COc1cccc(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 1852746095 NYDTYIQNMOXJRQ-IBGZPJMESA-N 449.511 1.680 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1C 1853427952 LKZYMGJDJRUGDC-UHFFFAOYSA-N 427.505 1.434 30 10 IDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1C 1853952793 IMAOBKYHEDMCID-UHFFFAOYSA-N 427.482 1.614 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C(=O)C2)cc1 1854023699 CKUXJFDOCLPSOF-UHFFFAOYSA-N 438.387 1.645 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1854248672 IHLKGSVPGAKZIR-IAGOWNOFSA-N 436.509 1.342 30 10 IDEE CCOCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC4(CC3)C[C@@H]4C#N)ccc21 1856528213 NFKDAECOHFTVHL-MRXNPFEDSA-N 431.514 1.843 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(OC)(C(F)(F)F)CC3)CC2=O)CC1=O 1856960809 ZSWGOTHJCMNXJR-CABCVRRESA-N 431.455 1.439 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1c(C#N)cnn1-c1ccccc1F 1866235567 BBLHUMXNJOULTI-CQSZACIVSA-N 430.440 1.980 30 10 IDEE C#CCOc1cn(CCOCCO)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870563972 VYMNDDFVKDLFBG-UHFFFAOYSA-N 429.492 1.331 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnn([C@@H]4CCOC4)c3)CC2)CC1 1889353064 PHUUPFVLSUFBFQ-OAQYLSRUSA-N 429.565 1.107 30 10 IDEE Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)nc(C)n2)n1 1890148883 LXVQPTZVSOWBKY-UHFFFAOYSA-N 437.529 1.970 30 10 IDEE CN[C@H](C#N)CCn1c(C)nc(I)c1I 1928096754 BQJGQFLKVSXXFH-ZETCQYMHSA-N 430.031 1.902 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1984989980 HWPSLWJLAPTWGI-JYJNAYRXSA-N 425.526 1.780 30 10 IDEE CC(C)(C#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)NC(=O)OC(C)(C)C 1993921287 OEHCGUMPLOHTKY-GJZGRUSLSA-N 425.526 1.780 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124519346 ITDCLNYUZWJJDA-GJZGRUSLSA-N 448.329 1.596 30 10 IDEE C[C@@H](c1cscc1C#CCN)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130029055 BAFCNABUYDVOBJ-AWEZNQCLSA-N 431.539 1.677 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247835009 FBHZDJYDOCLKIS-LBPRGKRZSA-N 441.359 1.400 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255656111 WFULODJSJPDYTB-HIFRSBDPSA-N 436.314 1.848 30 10 IDEE CCn1cc(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255814878 FRERQLZSGDEHGA-KBPBESRZSA-N 434.346 1.845 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCCNC(=O)OC(C)(C)C)n1 2255842592 UMXJFNKFCABEBG-UHFFFAOYSA-N 437.350 1.539 30 10 IDEE Cn1nc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2255843995 OUWOAFPMSRAHAS-HNNXBMFYSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256674000 HAQXBXVIJFPUSA-AWEZNQCLSA-N 439.293 1.734 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2266060508 CNGKCKATZYVVKV-QFIPXVFZSA-N 449.357 1.473 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267002501 ZYGBYBAUSPJWBX-QFIPXVFZSA-N 447.341 1.794 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2267133986 JQLTZMFSHRUBRG-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267595898 GRDPVNAMLNGTIF-BFHYXJOUSA-N 447.345 1.242 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267605156 SPFUPAXBVFRHJM-FUHWJXTLSA-N 439.369 1.897 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880471 BAAYTSYEBPTLOT-KGLIPLIRSA-N 448.329 1.045 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267882254 PUNZAGQXSNJPNG-RYUDHWBXSA-N 442.247 1.305 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c(O)c2)OC1(C)C 2270600355 PWCMVBLAQGGTDQ-UHFFFAOYSA-N 442.243 1.975 30 10 IDEE COC(=O)c1ccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)cc1 2296612497 QJQRNPDASKSOER-SFHVURJKSA-N 426.473 1.796 30 10 IDEE COc1cccc(C=C2Oc3cc(OCC(=O)N4C[C@H](O)C[C@H]4C(=O)O)ccc3C2=O)c1 2297475453 UYFWMFUZOVXVQT-KDOFPFPSSA-N 439.420 1.737 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](Oc3ccccc3)C[C@H]2C(=O)N2CCOCC2)cc1 2297645812 WAMSSCGLCPAKMT-CTNGQTDRSA-N 441.509 1.628 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315533027 LBCVOBPWEAJBLN-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cn1 20827745 KUUHGEWHOUNGKA-FBCYGCLPSA-N 444.481 1.854 30 10 IDEE C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 109938605 SXGCNSYIHRGDCV-FOIQADDNSA-N 427.486 1.119 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 426223721 DTCRNSFWISPQII-UHFFFAOYSA-N 429.502 1.941 30 10 IDEE CCC1(CC)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 428702251 RVIYFDPYUJTCST-AWEZNQCLSA-N 427.548 1.041 30 10 IDEE Cn1ccnc(N2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2)c1=O 446625993 ATVBWYFNXJOLJO-UHFFFAOYSA-N 437.504 1.269 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)c1 478755652 ODLDGDPUNVBXQO-RTBURBONSA-N 438.549 1.896 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 485755895 DATFIFKOTUXQIE-GDBMZVCRSA-N 428.532 1.349 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1)c1ccccc1 488124613 ZMJKQSPUVGVYGX-LJQANCHMSA-N 446.532 1.650 30 10 IDEE Cc1ncc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C#N 489290275 MIQYBGYHYDCONC-UHFFFAOYSA-N 433.921 1.542 30 10 IDEE C=C1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@H](OC(C)=O)[C@H]2[C@@]1(C=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O 504284189 ZJRYOJLHQNZBNA-YANFYCNCSA-N 448.512 1.358 30 10 IDEE biogenic Cn1c(NCc2ccccc2-c2ccc(Cn3cncn3)cc2)c(C#N)c(=O)n(C)c1=O 505581704 KVUAPDPKCSZRQA-UHFFFAOYSA-N 427.468 1.875 30 10 IDEE COCCN(C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 509079986 FFIMDLHFEHPYFQ-SFHVURJKSA-N 435.546 1.064 30 10 IDEE CCOC(=O)c1cnc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)s1 532826538 SQEWENUJYBKISR-UHFFFAOYSA-N 434.543 1.787 30 10 IDEE C=CC[C@H](CO)NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 541776198 PFMKQMXQWXXPCA-HUUCEWRRSA-N 446.367 1.838 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 549327119 XCAREBUBTWEHGS-RBUKOAKNSA-N 426.521 1.291 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 549670234 YKTUIQGZMPJWFY-OAHLLOKOSA-N 430.596 1.550 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 554366047 WAENYPTVQKOFCH-MRXNPFEDSA-N 448.574 1.998 30 10 IDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 576054984 AUQOLAPZHMAXBI-UHFFFAOYSA-N 434.566 1.328 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3(C#N)CCCC3)CC2)cc1 603887592 IPBMGVSIQKBLRE-UHFFFAOYSA-N 432.546 1.561 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669804661 WZELHDUDSFDFDV-DYESRHJHSA-N 440.596 1.705 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669806761 UQSUJTPFZOYIPY-JXFKEZNVSA-N 426.569 1.315 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 670198158 VFBJOXOUBNDGHX-KGLIPLIRSA-N 439.542 1.549 30 10 IDEE CN(CC1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)C(=O)OC(C)(C)C 732464998 BMUVIVHQLGWIJU-ISLYRVAYSA-N 435.525 1.801 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc4ccccc4c3)c2=O)cn1 735069168 QVTSVPXAWYACDG-UHFFFAOYSA-N 443.532 1.908 30 10 IDEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 765539082 GURIRADCROBYAV-LJQANCHMSA-N 448.932 1.895 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc2c(cc1Br)CCC2 773300636 BKSZBKFDCYEMTG-WUKNDPDISA-N 447.289 1.519 30 10 IDEE C#CCN(C(=O)NCC1CCN(Cc2csc(CC)n2)CC1)[C@H]1CCS(=O)(=O)C1 774210758 CLIMXHWQGKSNAU-SFHVURJKSA-N 438.619 1.749 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 774254464 XDYVYSYCTXGUMK-INIZCTEOSA-N 437.541 1.303 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 778046347 HTEZNCQGUWSGCV-YJBOKZPZSA-N 435.546 1.973 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CCC2CS(=O)(=O)C2)C1=O 786690378 TZZCDMHOTGXHNC-RMVNTFJDSA-N 429.589 1.680 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1 789317249 JYXCXWPFHKZSBU-MRXNPFEDSA-N 441.488 1.473 30 10 IDEE C=CC[C@H](CC)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 798496001 SSRDKAKKXHOUBT-INIZCTEOSA-N 443.591 1.769 30 10 IDEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)cc1 810081954 CHDDCOYCMCWSQQ-UHFFFAOYSA-N 438.527 1.859 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 813561340 HRFLIQZBRIOTKW-RDJZCZTQSA-N 433.578 1.437 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)n1 813750687 CFPLEUBISDWHLC-RBUKOAKNSA-N 437.504 1.886 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccc(F)cc3Cl)CC2)c1=O 915209513 XSLJRCUUZFRDKZ-UHFFFAOYSA-N 449.914 1.112 30 10 IDEE CSC[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916775215 KZOIWOGWMNSHON-IXDOHACOSA-N 449.554 1.411 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)s1 917776325 QWXLEXOCGFWNGX-UHFFFAOYSA-N 428.514 1.831 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]2CCCO2)c1=O 918729544 LAUBWVFASZPKTK-MRXNPFEDSA-N 442.585 1.948 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2cc(Br)ccc21 1130841570 ADCVIXUKLHOZMQ-UHFFFAOYSA-N 436.287 1.913 30 10 IDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1137335993 KYZIWYJQNKZQJO-QZTJIDSGSA-N 435.569 1.729 30 10 IDEE C[C@H]1COCCN1C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1141595376 ASXDULUGSQXGBK-INIZCTEOSA-N 434.562 1.217 30 10 IDEE C=C(C)CS(=O)(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1191326226 ZYRVHEAKQSXVCT-DLBZAZTESA-N 442.582 1.760 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OCC 1193573398 LFPWLFGVHVGCIV-LBPRGKRZSA-N 425.912 1.451 30 10 IDEE C#CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1197264114 KKIVQSNNOFITLK-UHFFFAOYSA-N 439.965 1.023 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(OC)cc1 1286272263 AOMBUQXIZRPWIA-XHSDSOJGSA-N 435.550 1.822 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1286273262 DHMBJBSHUYJONJ-HTAPYJJXSA-N 427.553 1.949 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@H]1CCCO1 1286282443 MUNNFNKTXOISKE-FXAWDEMLSA-N 436.520 1.964 30 10 IDEE C#CCCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286336458 YEWHZFJSRPCHHW-HMFYCAOWSA-N 434.537 1.482 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(C)cn1 1286410074 WEHLANYJGLXVII-UHFFFAOYSA-N 436.545 1.516 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1286463585 IUUQLGOZZRNSPN-HNNXBMFYSA-N 432.502 1.195 30 10 IDEE C=C(C)Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286599139 LNZRXESEHZHTEK-LJQANCHMSA-N 427.571 1.367 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286687359 IUNILJQLVAXDMX-DLBZAZTESA-N 444.623 1.940 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1286758989 XXJRCICYDNMCHD-MRXNPFEDSA-N 431.566 1.725 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1286787768 JFVPGJDLXOFTBT-SFHVURJKSA-N 432.569 1.559 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC3CC3)CC2)n1Cc1ccc(C#N)o1 1288828507 DYDSTIQKOSFUKY-CQSZACIVSA-N 448.549 1.797 30 10 IDEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1292498462 JSEDJEMPGFTOIP-HRAATJIYSA-N 425.468 1.938 30 10 IDEE CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1292893194 LXKLLWVMJPHZGW-UZLBHIALSA-N 425.537 1.732 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1298089164 SBZUCBCRJZLXBX-LJQANCHMSA-N 446.577 1.408 30 10 IDEE N#CCCn1cc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1298244199 SSWBWVFKNLOSNX-UHFFFAOYSA-N 429.458 1.489 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(C)n1 1298285344 FTQLQPCINWCVRK-UHFFFAOYSA-N 447.528 1.954 30 10 IDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)S1(=O)=O 1298817595 WJGJFRZLSQMSQM-TXEJJXNPSA-N 426.336 1.791 30 10 IDEE CO[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1299567137 BQEQHNSTMPEUGR-IRXDYDNUSA-N 433.520 1.676 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1300287241 WMEZHGHGJSDXML-JKSUJKDBSA-N 440.533 1.204 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1300556270 GMBPMLCNQZIMES-RTBURBONSA-N 442.589 1.876 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1300571357 CQMIYQVWZGOYBH-SFHVURJKSA-N 449.511 1.632 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1300672057 UQFHNAFPVRBZRO-KBPBESRZSA-N 438.472 1.234 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)N2CCCCC2)CC1 1300727318 WIDVISAZHAYLOE-UHFFFAOYSA-N 428.581 1.845 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC(N)=O 1300755417 RYSNPVJOSXGKTR-AWEZNQCLSA-N 449.606 1.305 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1301151518 NIMJEBVDSYOZKF-SJORKVTESA-N 441.598 1.829 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1301424037 GNOLRSHORYFBPF-KXBFYZLASA-N 440.591 1.788 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1301501011 SKBZIWMMWHYPBW-CQSZACIVSA-N 430.469 1.030 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1301578302 WRWOJVJPYIJFBO-HNNXBMFYSA-N 433.534 1.256 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3nc(C4CCC4)no3)CC2)cc1 1302551320 PXRLJMIYPJWGOY-UHFFFAOYSA-N 429.502 1.893 30 10 IDEE Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)s1 1304774518 FPNVOVZIBQNZGL-NEPJUHHUSA-N 426.572 1.419 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@]4(C)CS(=O)(=O)C[C@@]4(C)C3)ccc2c1=O 1306892163 CQFRTKZGQULCLI-BGYRXZFFSA-N 433.555 1.768 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 1310470097 VXYBNTNUNCOJSB-UHFFFAOYSA-N 447.908 1.014 30 10 IDEE C=C(C)COCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1312258671 IVHIDZYXCITQMQ-UHFFFAOYSA-N 439.557 1.579 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1(C)C 1315716490 KCQCDYKYZJNVPM-IBGZPJMESA-N 436.520 1.852 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1316285873 UZIICXZIPNWINO-GRDNDAEWSA-N 434.438 1.938 30 10 IDEE N#CCOc1cccc(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 1319945368 NTJHSSYLJQPPEO-SFTDATJTSA-N 433.512 1.987 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358960983 PNCSFGFSENGWOH-FGTMMUONSA-N 431.562 1.583 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)N(C)C)CC1 1359031534 GLEJGMMGQFSOQN-UHFFFAOYSA-N 437.367 1.613 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(F)cn2)CC1 1359040669 DCJAFMKBZCMUAO-INIZCTEOSA-N 444.511 1.550 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359154879 GBEWVABJRBJEGC-UHFFFAOYSA-N 434.976 1.539 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1359301402 YFKRCRQQGRVVBU-GOSISDBHSA-N 438.532 1.939 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359335049 YNAHWZFOOMYJQV-MRXNPFEDSA-N 430.596 1.235 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1359472598 NOSCCQGZERFLRB-CYBMUJFWSA-N 434.522 1.426 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccoc1 1359560818 IPGBUJJWICSFLI-SJORKVTESA-N 444.492 1.957 30 10 IDEE COCCOC1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1436304949 SLHPTGSFLMDADQ-GOSISDBHSA-N 444.488 1.092 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)C1 1444734680 UNWDRLOBMSSXRQ-YJYMSZOUSA-N 446.305 1.251 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(Cc2cnn(C)c2)C1 1454231940 LQRRSSYMTHKXJG-GOSISDBHSA-N 429.546 1.719 30 10 IDEE CCOC(=O)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](O)c1ccncc1 1454448070 VTVLDQOMBHBXPA-UXHICEINSA-N 445.516 1.813 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)n1 1467714538 BQUHKODOHKKSBV-DZUCGIPZSA-N 436.434 1.850 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1469435800 RCSJGUMFKGQHMY-SDNTUTLCSA-N 434.518 1.349 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1469877430 OCXRXCIMTKPONF-AWEZNQCLSA-N 432.539 1.118 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ncc(Br)cn2)cc1 1471828261 GGAGAWACIGSFJC-UHFFFAOYSA-N 425.308 1.976 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 1471832373 CPPVBAJYPZSAOM-HNNXBMFYSA-N 428.352 1.331 30 10 IDEE C#CC1(O)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)CC1 1478232697 IXRKIKIEAKSQLK-UHFFFAOYSA-N 433.574 1.918 30 10 IDEE Cc1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492821827 WOWOOLRUCMCYST-ZBBYCGENSA-N 430.509 1.135 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1503622826 WDJNJNXYHMGJBU-UHFFFAOYSA-N 429.550 1.064 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1503632696 UPEPHJTZECQYNJ-OAQYLSRUSA-N 445.545 1.229 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C[C@H]1O 1503881272 IGALQETVIWHECZ-GUDVDZBRSA-N 425.489 1.746 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507629198 KPQBSCUWEYACIO-RBUKOAKNSA-N 442.589 1.841 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507638396 QGQPEHBQKLQDCB-JKSUJKDBSA-N 426.608 1.973 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1Cl 1507654151 WPONUXGYZZPMEP-INIZCTEOSA-N 432.933 1.985 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(OC)CCOC1 1507673673 YVIJHSJOFYSFJP-OAQYLSRUSA-N 427.530 1.538 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1507715551 CVJGUAAKNRSCQJ-OALUTQOASA-N 437.548 1.886 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)C(C)C)CC1 1507734668 SYXZNUOUDSJBPH-UHFFFAOYSA-N 426.521 1.585 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)CC1 1507742327 HAFSUPCDXUKCOF-QHCPKHFHSA-N 441.507 1.125 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1507750694 BZJWITXQAVHFRX-SJORKVTESA-N 438.619 1.678 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1507753181 JAKXVSONCVYHHW-UHFFFAOYSA-N 439.593 1.997 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507850061 AMGLPIPHMGAIEJ-UHFFFAOYSA-N 437.976 1.257 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 1507943090 WJSHYPSSDIYIIB-SFHVURJKSA-N 431.562 1.836 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508091643 WEUBDZTYOYHOLM-IRXDYDNUSA-N 448.568 1.920 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1508213233 CKOJSEIPNMFJNC-SFHVURJKSA-N 442.545 1.310 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1509955780 UIHHTBXGDBVQAS-HRCADAONSA-N 437.504 1.470 30 10 IDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)cnn1C 1510498708 BJHLJNODSSPZGO-UHFFFAOYSA-N 447.547 1.117 30 10 IDEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1514058583 IAHIAAJYMJZADV-IIBYNOLFSA-N 429.546 1.993 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1518336126 NXGPGHJIWVDDOR-UXHICEINSA-N 443.504 1.790 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2nnnc2-c2ccccc2)c1 1525781659 WBTPJIWCRNCCLD-PTGBLXJZSA-N 439.501 1.792 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 1527637305 LFKYNUZHINFKLS-UHFFFAOYSA-N 446.554 1.937 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539127542 LDOVIITTXQLGFX-UHFFFAOYSA-N 448.531 1.734 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1539300953 YRFISKLNWWULFZ-NFBKMPQASA-N 429.565 1.502 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1539415494 DWARKXZXQIQIKE-NQIIRXRSSA-N 435.594 1.076 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 1539461717 JJJUVODUNCXABX-IBGZPJMESA-N 442.539 1.472 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1540891503 VNLFZXJFJNXWKM-QGZVFWFLSA-N 441.623 1.706 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540901799 PPBORFVYJQFBLI-FQEVSTJZSA-N 430.534 1.108 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 1543941706 CDYVMTIJSALKEW-HXUWFJFHSA-N 442.560 1.997 30 10 IDEE CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1545822298 YWGSFZJQLOWEFB-XUVXKRRUSA-N 432.569 1.995 30 10 IDEE CCS(=O)(=O)N1CCC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1556050727 QJRBLNAIYUIWKB-INIZCTEOSA-N 430.571 1.894 30 10 IDEE C#C[C@@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1 1556781481 HPLVWHFDVPHSCZ-BEFAXECRSA-N 448.317 1.855 30 10 IDEE N#Cc1ccc(NCC(=O)N2CCN(c3ncc(I)cn3)CC2)nc1 1557852910 YCSNBKNEFMZZLY-UHFFFAOYSA-N 449.256 1.109 30 10 IDEE CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)Cc2cccnc21 1558063155 QPIIFJFYDPKVJL-UHFFFAOYSA-N 439.541 1.833 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](c4cnccn4)C3)CC2)cc1 1558526645 NXKVBRUEPCQWSP-GOSISDBHSA-N 425.514 1.765 30 10 IDEE C#CCOCCN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1558866442 NDAOTKXDWXIRLJ-UHFFFAOYSA-N 446.573 1.789 30 10 IDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)COc1cccc(Br)c1C#N)C2 1586998179 HYNAAFAJZRRRPC-GJZGRUSLSA-N 449.349 1.899 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)Cc1ccccc1 1587550758 QXVUCJSUDXOBCT-QGZVFWFLSA-N 431.562 1.879 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1588083253 CWSBJYKUSUGTMA-ULQDDVLXSA-N 441.557 1.894 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1594009518 LUUUHCDMEAQRCL-QGZVFWFLSA-N 439.520 1.577 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCN(CC)CC2)CC1 1594013603 ITLYSNFBSHPCRV-ROUUACIJSA-N 439.630 1.071 30 10 IDEE COC(=O)[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(C(F)(F)F)c1 1594654343 ZHOYMVDVSWXNMK-XNSRXUQDSA-N 425.363 1.952 30 10 IDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1595205249 PVSMSYCFKFSYLQ-OAHLLOKOSA-N 448.549 1.608 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1595523195 RDXOFSAYFXOCAM-UHFFFAOYSA-N 449.519 1.076 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595812112 NJEGGEAWKRNGSN-HZPDHXFCSA-N 435.575 1.246 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595838106 LBGZLFVUQTYQBB-KRWDZBQOSA-N 433.582 1.746 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1603273178 WZTSHPITVIJKMT-JOCHJYFZSA-N 431.464 1.964 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCCN3CC(F)(F)F)C2=O)cc1 1611409481 HNLPKQUMBKHJGM-CVEARBPZSA-N 437.422 1.906 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)COCc1ccccc1 1611629305 DDOVQNCIEJBZEU-IEBWSBKVSA-N 426.521 1.998 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)C1 1611767689 RAMRZZBIFBMWFG-RDTXWAMCSA-N 431.509 1.982 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1613710042 LBSFBWOIXHQDPW-AQMPTVPWSA-N 439.520 1.815 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)OCC 1616910334 DNJGCTBSOOKHCI-UHFFFAOYSA-N 430.557 1.870 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1620081098 SHOYFAIHQWCMOR-PKOBYXMFSA-N 440.504 1.107 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1620151516 XLTPUYRSURCYKX-QGZVFWFLSA-N 446.533 1.431 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC3(CC2)C[C@@H](O)CNC3=O)n(Cc2ccco2)c1C 1620636650 GHWLLNBBOWCRJP-QGZVFWFLSA-N 439.516 1.519 30 10 IDEE C=CCOc1c(Cl)cc(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1OC 1621255709 PQHDDDITJJMVKW-UHFFFAOYSA-N 435.912 1.376 30 10 IDEE C[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCS1(=O)=O 1625105033 AVPQKLSDIPJVAP-DQLYFJKKSA-N 425.551 1.809 30 10 IDEE CNC(=O)CC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1630155172 JMEDZRGUQIHDKA-UHFFFAOYSA-N 434.562 1.708 30 10 IDEE C#CCC1(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCOCC1 1635117006 QLXDEQTVUKOLLQ-UHFFFAOYSA-N 429.336 1.806 30 10 IDEE C#CC[C@@H](CO)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1641745414 FUEAKSLAZCVIFZ-HOTGVXAUSA-N 430.530 1.045 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)CSCC#N)CC[C@@H]32)CC1 1642785440 QEQZGIBQBACPIR-CVEARBPZSA-N 437.566 1.637 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1643889047 RNUURZJCVDXIHW-GOSISDBHSA-N 437.525 1.724 30 10 IDEE N#Cc1cccc2c1CCCN2CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1646817556 WXCSEULQPBCRSA-UHFFFAOYSA-N 440.525 1.970 30 10 IDEE N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)CC2)c1 1666296807 BEXXZNDBLKANQA-UHFFFAOYSA-N 441.513 1.122 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(Br)c2C)CC1 1673966704 RYJDOLGBJLTCEK-UHFFFAOYSA-N 429.340 1.052 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br 1680909323 LBECQRAIRCCDNH-HNNXBMFYSA-N 435.340 1.733 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1689914776 CWMYELGTUYPLAC-OAHLLOKOSA-N 443.577 1.627 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1689991347 ZWJDEPGGUBLZFS-SJORKVTESA-N 448.520 1.605 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1690003792 YHGBFVLYPGONFB-OIBXWCBGSA-N 428.533 1.730 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)Cc2ccccc2)CC1 1690120161 JINDINWWMSPPTJ-UHFFFAOYSA-N 432.576 1.956 30 10 IDEE C=CCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690652365 GGRMJIWWIOCUGA-ZNMIVQPWSA-N 425.555 1.858 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](CC)C1 1690668648 DBHYDISRDVPIFR-HNNXBMFYSA-N 447.565 1.156 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCC[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677141 OTNLCEVDKAQOGS-PGRDOPGGSA-N 435.569 1.874 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1691318267 VSEJTUGFGGQJOA-UHFFFAOYSA-N 448.549 1.959 30 10 IDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1691896588 PDPUOJYWVFMFMZ-GOSISDBHSA-N 432.550 1.790 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1692584094 KTLQCBDBQSPCTK-ROUUACIJSA-N 430.431 1.142 30 10 IDEE CCc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1694635810 NRHMDGSMOJDDGA-JZYYHHLESA-N 442.545 1.741 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1705526564 MMEZOXOELNCHRU-KRWDZBQOSA-N 444.561 1.311 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1705568898 XCCDCDMBULFNPQ-QGZVFWFLSA-N 431.562 1.814 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1705580171 FFFCDKZRVLWUGH-UGKGYDQZSA-N 446.555 1.571 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1705661431 BGYFGCGCCCDUOJ-CRAIPNDOSA-N 426.633 1.880 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1705843215 ABNQDILNRQGVIM-MRXNPFEDSA-N 425.942 1.935 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722321254 AIMUPGDSCWLJCI-UHFFFAOYSA-N 441.624 1.922 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722453007 MYYCQTAUXBRTDC-QGZVFWFLSA-N 430.582 1.833 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC 1722471138 SYKHHTQSRQPRTK-HXUWFJFHSA-N 431.518 1.258 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C 1722538763 VNRXMNGFKSEYGW-UHFFFAOYSA-N 427.553 1.989 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722558093 DPRIOIQPMQXEEF-JKSUJKDBSA-N 447.989 1.759 30 10 IDEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722620760 JXNTUUPCKVLMEI-MRXNPFEDSA-N 444.923 1.624 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1722693017 BJKNDHARCRZYFH-HZPDHXFCSA-N 446.577 1.590 30 10 IDEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722734693 GJBLBWQNVWIRCE-SFHVURJKSA-N 447.561 1.833 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCOCC1 1722751750 TZEABAGYHYHJOB-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722968586 ANJFYUUILRABSC-QHCPKHFHSA-N 435.532 1.980 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)(C)O)CCOC1 1728819714 YCZBLURNWUJFAO-JOCHJYFZSA-N 441.536 1.294 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCOCC1 1729034122 QQGNSGNYENZDBP-UHFFFAOYSA-N 428.493 1.281 30 10 IDEE CN(c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1729364039 WSJPMYYIADSTHB-UAFUQJIBSA-N 440.479 1.760 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729454976 VMRBAUBWPQQJCZ-ZFDMEJTGSA-N 436.463 1.790 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1740552802 PFBWINZZNBIGRO-QFBILLFUSA-N 443.573 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1740706248 UWUDHGUIWQQXQM-SVFBPWRDSA-N 442.608 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)N(C)C)CC1 1740706880 GWCASWVCNPFYRD-SFHVURJKSA-N 438.576 1.793 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740803027 PJLYFFSISBSIBL-JTQLQIEISA-N 443.879 1.989 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740968262 GKJMKJOYHPLSIX-WMZOPIPTSA-N 438.532 1.552 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740994862 VSQOBNYYXQFCJW-MOPGFXCFSA-N 448.593 1.603 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1741006169 ZSNJGCBPONFJNT-UHFFFAOYSA-N 447.609 1.658 30 10 IDEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1741151768 ALEXLZQJERNMBO-UHFFFAOYSA-N 444.561 1.460 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1745171977 GPPGPISFARFRPB-OYHNWAKOSA-N 437.504 1.472 30 10 IDEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)c1ccco1 1747547242 BVYLJCNTTUHILX-GOSISDBHSA-N 440.529 1.947 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1747942351 NRKCXIQAFCVJOR-LJQANCHMSA-N 435.575 1.556 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1=O 1748062693 FFKDWQXUDPAXEO-UHFFFAOYSA-N 449.471 1.030 30 10 IDEE CO[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1748393746 HFPRIBAKAJSXGX-TZIWHRDSSA-N 439.564 1.406 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)C 1748648168 ZOQXRGITKXQDHC-HNNXBMFYSA-N 445.593 1.919 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1748765533 KQMDDWBYNHRBFN-BJLQDIEVSA-N 444.580 1.205 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1748928951 BXKBFPXDCJVDMB-DLENHJPASA-N 429.546 1.784 30 10 IDEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749391494 SZBTUWYVNFXVPJ-UHFFFAOYSA-N 446.519 1.508 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1749457874 SFSHXRAZKKCHCL-QGZVFWFLSA-N 425.555 1.360 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@@H](C)C1 1749488963 PPWLSCMCUYVBFR-SQNIBIBYSA-N 440.614 1.354 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CN2CCOCC2)C1 1749717938 RJGZGSQZLYTPLQ-NQIIRXRSSA-N 443.596 1.889 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C[C@@H]1CCOC1)C1CC1 1749721273 FKAUUAGULOBANC-INIZCTEOSA-N 437.566 1.120 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1749879143 STMZVJSYFQZPTN-VQTJNVASSA-N 426.521 1.125 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1750385844 BMZLJPVJVILMKU-WMZOPIPTSA-N 428.468 1.009 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1751284846 KYTRIUGGSCTLQC-HOTGVXAUSA-N 425.449 1.497 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)c1ccccc1 1760126990 NXXNLCTUOXUJQM-LNLFQRSKSA-N 432.546 1.934 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760137379 RUMMIDOQWSOTIW-OAHLLOKOSA-N 428.566 1.773 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CCCO 1760173108 JXAXYMJAUKQOKC-SFHVURJKSA-N 431.562 1.265 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760193208 WQKLZGYDIGEGPJ-ZWKOTPCHSA-N 449.577 1.205 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1760216529 RDKCDXQUHWYHLP-INIZCTEOSA-N 443.529 1.436 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1760232811 LZQKYYQQWQGJNS-SFHVURJKSA-N 426.496 1.713 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(F)ccc2SC)CC1 1760259452 BNIQSSNDMPPWIY-KRWDZBQOSA-N 428.537 1.894 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1760272819 WNMCMAYGUXUERD-UHFFFAOYSA-N 425.566 1.841 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760518060 HFUVVQBYADPUIC-NRFANRHFSA-N 445.955 1.597 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1760522698 BGATZBKBQSMZMK-IBGZPJMESA-N 432.532 1.748 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CCOCC2)C1 1760535537 SLYKDUUTMKRJBC-RDJZCZTQSA-N 427.571 1.486 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1761056270 BIGIMYICCYRYEB-BEFAXECRSA-N 426.587 1.815 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)N(C)C 1761422268 CJYIDCMCVZYCNK-HQRMLTQVSA-N 437.548 1.641 30 10 IDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1=O 1765474407 LLOLZVGIYLFCMZ-SFHVURJKSA-N 435.532 1.790 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1767088007 LQJLYKFVSTUSGH-GOSISDBHSA-N 434.504 1.833 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)CC)cc1OC 1767548451 HQRGVPALPOJJIV-MRXNPFEDSA-N 428.493 1.559 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1769899866 GPRLMYQOYRHZEX-SFHVURJKSA-N 444.561 1.020 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770601040 WRWRJOXRJBAGBI-ZBKJMMEJSA-N 447.499 1.958 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1771122402 ARJSXIHEIQFFAE-QFIPXVFZSA-N 434.504 1.410 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1772566999 KMEVXLQPSFLOQZ-QGZVFWFLSA-N 445.568 1.201 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC(C)(C)C1 1772660128 FGDUTBPTFQHIML-UHFFFAOYSA-N 434.518 1.890 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cnc21 1851614746 OEAWDRLRARNFDB-FQEVSTJZSA-N 431.452 1.569 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1OC 1852450302 KMEQMUFPFOBBGP-DOTOQJQBSA-N 438.440 1.687 30 10 IDEE C=CCN(Cc1cccc(S(=O)(=O)CC)c1)C(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1 1853561050 OVTDMGGAUYGEJX-QGZVFWFLSA-N 429.542 1.894 30 10 IDEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)F)cc2)C2(CCCC2)C1=O 1853861951 ZOYZLXKAXZZSHR-UHFFFAOYSA-N 427.429 1.874 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CCC)C3(CCCCC3)C2=O)CC1=O 1854013567 DLAUVBXBWZMTIK-MRXNPFEDSA-N 425.551 1.134 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1=O 1854292351 YULYCOZCHCVTOO-KRWDZBQOSA-N 425.880 1.348 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(OC)c2)cc1 1858971819 IUFDPZNDPHCPET-UHFFFAOYSA-N 447.513 1.607 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(C)cc2)cc1 1859011336 ZGJYECLKWJNDRG-UHFFFAOYSA-N 430.482 1.781 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(CC)nn2C 1864323396 KLZLUTZBAGISKQ-GOSISDBHSA-N 425.533 1.920 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)CC1 1889383649 JSJWWCVLXDNLKX-XMMPIXPASA-N 425.573 1.949 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 1890195805 NFLOHZBNAQEPRZ-UHFFFAOYSA-N 432.496 1.996 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1904844909 NGSICWLBXVBXAH-HRCADAONSA-N 427.546 1.298 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2023499670 VKHUBTVUOQQENG-WFASDCNBSA-N 425.345 1.983 30 10 IDEE C=C(CNC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)B1OC(C)(C)C(C)(C)O1 2077056834 KBDCCYSUQOBHGM-UHFFFAOYSA-N 433.318 1.987 30 10 IDEE CC1(C)OB(c2cnc(N3CC[C@@H](NS(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2172774866 TXTLRNVKCMJXOS-GFCCVEGCSA-N 446.176 1.271 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224096552 UDFKPBGUHSOERT-HNNXBMFYSA-N 431.342 1.941 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2224131687 RZHCULDEYAHELQ-UHFFFAOYSA-N 432.330 1.515 30 10 IDEE C#CCn1ncc(NCC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2238474203 CTZYUFALKMIEHD-SFHVURJKSA-N 441.326 1.813 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2244282281 CJIIFFQFKSTGCN-VBKZILBWSA-N 428.530 1.965 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248433146 GMBGSEOWXXCDRC-CQSZACIVSA-N 440.371 1.939 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1NC(=O)OC(C)(C)C 2255818794 QKDQACKPRBBVTG-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255821218 BSABSCNSSVOLIM-UHFFFAOYSA-N 434.346 1.658 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@H]2C1 2267194315 OYKCJPQVNDBYSZ-FMKPAKJESA-N 448.325 1.943 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)nc2)OC1(C)C 2270585353 YKQSDERBDFZBDI-ZDUSSCGKSA-N 442.247 1.449 30 10 IDEE C=C(CN(C)C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2299071238 IXFXMFQQELIFIF-CQSZACIVSA-N 446.375 1.570 30 10 IDEE COC(=O)c1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329056071 GALUDQQTJGUAJW-INIZCTEOSA-N 431.518 1.756 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)n1C 2337190594 POZCZLXQUPSKOA-GASCZTMLSA-N 446.357 1.862 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2337196250 IYXFHOXYNYDGHJ-CABCVRRESA-N 448.373 1.952 30 10 IDEE C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 49447265 SCWUAJSSYCXTIW-ROUUACIJSA-N 434.558 1.987 30 10 IDEE CS(=O)(=O)CC[C@H]1CCCCN1CC#CCN1CCCC[C@@H]1CCS(C)(=O)=O 428869952 DCTPNUVVIMYJLD-WOJBJXKFSA-N 432.652 1.568 30 10 IDEE Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433421933 JVABVFQLRLRPAC-KRWDZBQOSA-N 444.517 1.682 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(CC(=O)N2CCC(N(C)C)CC2)no1 445607529 HQBJVRZKLONDKZ-UHFFFAOYSA-N 436.520 1.481 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CC1 446631590 NQBDPVHWXPNPAT-UHFFFAOYSA-N 447.561 1.899 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCCc3csc(N4CCCC4)n3)CC2)c1C#N 472082422 IAOZLODDQMLNRU-UHFFFAOYSA-N 428.566 1.731 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 478742891 FLUUBCGZEOBQKB-JKSUJKDBSA-N 430.551 1.649 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 508948448 ZXUXGQBUUVIHRW-SJORKVTESA-N 425.555 1.383 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 514918184 UYYOLMMKKWPAFW-INIZCTEOSA-N 431.945 1.771 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccc3OC)c2=O)cn1 522385262 RKBROVWQCMSBLZ-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 537250189 YSIHNGSJWBYBCE-MOPGFXCFSA-N 429.590 1.791 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 545461639 VBKDSHUYJNIITF-IBGZPJMESA-N 443.467 1.379 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(F)c1 609255741 KEMZPSGHPMUWIF-UHFFFAOYSA-N 437.475 1.650 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)n1 612832851 WNYCTYGYTABWLK-UHFFFAOYSA-N 426.502 1.748 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(C)C)cc1 730143725 DDXKNKRKPPNDKL-KRWDZBQOSA-N 449.577 1.219 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(Cl)c1 751975389 WBGQTEDSIMIVCM-SNVBAGLBSA-N 426.741 1.914 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc(N4CC[C@H](C)C4)c3)CC2)o1 752603310 UPTCKAWBJJJQRR-HNNXBMFYSA-N 438.488 1.602 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 754132494 BFOSZNYISWRCQW-BIWSTMPVSA-N 425.507 1.805 30 10 IDEE CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 765865642 YSNNIXQSWABQLE-GOSISDBHSA-N 447.561 1.148 30 10 IDEE COC(=O)[C@@H](OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 767549252 DTQZABKAFAERKH-FQEVSTJZSA-N 437.456 1.235 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@@H]1CCCO1 771913713 MNEPNDNHNHRZMR-ZDUSSCGKSA-N 435.958 1.609 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)n1 788649584 JNRRVCUFKZOILB-UHFFFAOYSA-N 449.533 1.456 30 10 IDEE CCOC(=O)C1(COC)CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 794705159 UQSDHMHHOHBFGG-NRFANRHFSA-N 428.489 1.574 30 10 IDEE COc1ccccc1[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 915094950 MXLAAEUHAQEFOJ-HXUWFJFHSA-N 443.525 1.817 30 10 IDEE COC(=O)[C@H](CC(F)F)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1151143674 ASOQAMKPWJPQRW-ZDUSSCGKSA-N 431.461 1.599 30 10 IDEE C#CCOCCN(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1160097226 HTLZOMKFPVGCGL-LJQANCHMSA-N 436.574 1.625 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1286294329 CXNNCKFYZNWVAH-JKSUJKDBSA-N 429.612 1.458 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286392619 IUKTZDWCESMOJD-FHWLQOOXSA-N 435.594 1.631 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1cccc(S(=O)(=O)NC)c1 1286463811 UFSGIFKGUIZMIX-UHFFFAOYSA-N 443.529 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1286486463 FTHWQLDKHVVYBZ-UHFFFAOYSA-N 436.516 1.182 30 10 IDEE C#CCSCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286512139 JHQOMIVPRVMPBU-WWMYMODYSA-N 433.578 1.259 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 1286644539 BKUVQPTZGORZPW-KRWDZBQOSA-N 430.534 1.364 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1286693534 SKKWHOLSVGIYHW-OAHLLOKOSA-N 434.570 1.725 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1288304253 CPUANJBRTCYQOS-IEBWSBKVSA-N 441.529 1.338 30 10 IDEE C[C@H](CC(=O)NCc1cnc(Br)cn1)/N=C1/NS(=O)(=O)c2ccccc21 1297795704 CGPYAWUZJGQATE-SNVBAGLBSA-N 438.307 1.373 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1300307834 IXRYAMLDVOWOAB-WBVHZDCISA-N 447.536 1.516 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCCC1 1300447153 ZAPLAKLTZPEOBM-UHFFFAOYSA-N 440.533 1.348 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300482771 GYKGXGACANEQGF-QZTJIDSGSA-N 437.610 1.265 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1300509277 IXGCUWHQLPDLEN-FOIQADDNSA-N 433.509 1.008 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1300528115 PZAPFICBIPOOAO-SFHVURJKSA-N 446.511 1.553 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1300570320 LYHBSRWUBSLTJA-LNVKXUELSA-N 444.495 1.943 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(=O)(=O)CC 1300789421 LSGVWRVWVSNHPI-LJQANCHMSA-N 432.506 1.785 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300891749 MOOIOPFNTFCXKY-HBFSDRIKSA-N 437.610 1.977 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1300984003 VJSRHVAKJATKCC-LJQANCHMSA-N 429.569 1.820 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCS2(=O)=O)CC1 1301070568 PMRBHDOXBLKKNE-HXUWFJFHSA-N 439.582 1.511 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301506368 JPRIUBDJDVECCA-HNNXBMFYSA-N 437.470 1.639 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301506764 RUTVSMHBSJPUAP-ZWKOTPCHSA-N 438.532 1.237 30 10 IDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301530298 XPPRFADQSVAXBT-UHFFFAOYSA-N 426.521 1.373 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)COCCO1 1301809083 KCHHUGKPXGVHFK-SIKLNZKXSA-N 443.504 1.963 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccncc1 1302092425 IZLTXHMNFLNPHL-XLIONFOSSA-N 425.537 1.816 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1303010230 SEYSAIPUGYMEQV-RRFJBIMHSA-N 430.431 1.121 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H]1N1CCOCC1 1305147705 DXBAJAUGNCHPTK-APWZRJJASA-N 444.561 1.018 30 10 IDEE CCOC(=O)c1ccc(N2CC(NC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)C2)nc1 1312484949 IHQBJMUUWFNVFG-GOSISDBHSA-N 449.515 2.000 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1314562189 HOFVWVVHCSOGKA-HZPDHXFCSA-N 448.549 1.282 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1314884741 AAEPWEMPIIXAFW-OAQYLSRUSA-N 445.545 1.229 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 1325120565 BRVNJNAHJCOKSR-INIZCTEOSA-N 448.548 1.856 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1358873311 HIPFPYQPEAVFGD-QTEQDKRBSA-N 432.613 1.662 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1358937239 NCCJXXLUWAUJIU-IBGZPJMESA-N 436.560 1.853 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359010583 UDNJRRZNAJUCBF-HUUCEWRRSA-N 425.555 1.553 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359048234 JMSOBQQCZOFTPU-KRWDZBQOSA-N 430.578 1.472 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1359051027 KDYUSWXTDIHTIV-MRXNPFEDSA-N 431.543 1.444 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359084191 ZZUOWZZFUJERDO-CHWSQXEVSA-N 433.372 1.950 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359331289 UILQFUCTUJWRKE-UHFFFAOYSA-N 446.512 1.130 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1359631703 LXIIDSHSVXUZNY-UHFFFAOYSA-N 427.509 1.908 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC4(CCOCC4)CC[C@H]3CO)C2=O)cc1 1456055712 HPCIQTJFZGQTIP-RBUKOAKNSA-N 440.500 1.543 30 10 IDEE C=CCn1ncc2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C(N)=O)cc3)cc21 1456531660 GIAYLKKEXFMMKF-CYBMUJFWSA-N 427.486 1.627 30 10 IDEE Cc1cc(N2CCC[C@@H](Nc3[nH]c(=O)n(C)c(=O)c3C#N)C2=O)ccc1Br 1458303598 FPCQLAQAWZIULH-CQSZACIVSA-N 432.278 1.624 30 10 IDEE CCC1(CC)CNC(=O)[C@@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1460828325 SBOPMKISQLJVLC-SFHVURJKSA-N 440.504 1.349 30 10 IDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)c3cccc(C#CCO)c3)c2)CC1 1464789192 KEFIWGYNWHYXFN-UHFFFAOYSA-N 427.526 1.609 30 10 IDEE C=CCNc1ncc(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)s1 1464902320 QNIFKXOMHZMCSZ-HNNXBMFYSA-N 428.580 1.093 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1 1465259027 IQPCSOJZJHWUKD-LJQANCHMSA-N 435.594 1.737 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507627024 HYPBLFFQFPOMBO-HZPDHXFCSA-N 448.545 1.624 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1C(F)(F)C12CCC2)[C@H]1CCS(=O)(=O)C1 1507636611 BHUCLUQQCURMDL-LSDHHAIUSA-N 428.505 1.877 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N(C)C 1507653647 PGHZRRMJYOQBJR-SJORKVTESA-N 431.587 1.617 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(=O)NC)c2)CC1 1507718550 FCZLSGSUUFMXDV-SFHVURJKSA-N 440.548 1.165 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC)CC1 1507738677 VEFXAUKOCNQTBY-UHFFFAOYSA-N 449.515 1.596 30 10 IDEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507782245 XRZRPJPGIKKVMI-UKRRQHHQSA-N 436.310 1.917 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1507808287 YAWUETHKCSYXKD-KNQAVFIVSA-N 440.548 1.540 30 10 IDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1507853214 BDDPJUGNTZVIKD-UHFFFAOYSA-N 426.521 1.425 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507952090 LNXGHLOYHGHAJT-SFHVURJKSA-N 429.525 1.133 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCOCC2)CCOC1 1508410178 DJSMZNIRXRCHHY-DYESRHJHSA-N 434.541 1.163 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1515891919 HPFQEYZZODUTPF-MSOLQXFVSA-N 427.528 1.839 30 10 IDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)c1 1521875551 NNXNKESWEYRJJM-HBGVWJBISA-N 425.489 1.706 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1538972592 KTGCFCAEIBXQJB-SOUVJXGZSA-N 442.586 1.650 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539216957 YFGLZQOMFNGFFS-SFHVURJKSA-N 446.577 1.512 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539220967 MSMYTCSXKCCIPV-DLBZAZTESA-N 437.566 1.061 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539221571 QCBDLKPKQCBFLR-MOPGFXCFSA-N 444.557 1.796 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)N2CCOCC2)CC1 1539482632 VXFRPDVFRHXONE-GOSISDBHSA-N 430.597 1.553 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539512223 AVETWEGUIYILPA-UHFFFAOYSA-N 439.589 1.451 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540071761 HTBYTAGADBQTEG-KBPBESRZSA-N 437.488 1.066 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nnn(C)n2)C1 1540883471 AJYFSDUAIZPWDC-ZDUSSCGKSA-N 448.329 1.399 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1547314133 XGOXVJKLAPYNTR-XLIONFOSSA-N 437.548 1.452 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555263119 QBMPTFBNIZOUMW-HOCLYGCPSA-N 428.472 1.086 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncns4)CC3)CC2)cc1 1569395456 FDNOHNUYUUMNLT-UHFFFAOYSA-N 446.558 1.159 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C 1585820197 LIQQLADKXXXSSA-JKSUJKDBSA-N 435.546 1.943 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1587562145 LUGAMGUCBIWKRB-CKFHNAJUSA-N 439.969 1.907 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccc(OCC)cc2)CC1)c1cc[nH]n1 1587629334 VXZPTIUNMRMWLX-UHFFFAOYSA-N 443.504 1.437 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(C#N)nc4)C3)[C@@H]2C1 1588148516 LXXXHFAOWIEILW-BBWFWOEESA-N 427.461 1.608 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1588876672 DSOQVOIICLKATK-UHFFFAOYSA-N 431.562 1.216 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1589069406 KOPANTBEWSRCBD-OAHLLOKOSA-N 432.550 1.059 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595500732 DBINMHXPKNIHKF-SFHVURJKSA-N 427.553 1.365 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1595530003 PFMNDJDZOFWBQA-SFHVURJKSA-N 425.537 1.109 30 10 IDEE CCCN(C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1614649579 FBFOOKFOTGQYSA-GOSISDBHSA-N 445.593 1.534 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c1 1614656075 YHJBFHSORLLRAM-UHFFFAOYSA-N 427.482 1.341 30 10 IDEE CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1616536177 AEUMLBUNYDTISY-UHFFFAOYSA-N 427.461 1.473 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1619852614 QOFCOYDRWSOYLJ-UHFFFAOYSA-N 433.534 1.779 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCCC3)n2CCS(=O)(=O)N2CCSCC2)c1 1620348739 FCDVNOHDTBIULJ-UHFFFAOYSA-N 432.575 1.796 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 1623627619 NVGWQIJESTWIAG-UHFFFAOYSA-N 443.460 1.822 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CCOCC3)n[nH]2)cc1 1624927230 VHQNLDSNEDGIBZ-XIEYBQDHSA-N 446.533 1.693 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)c1 1625852940 LCBUWVGXTDMCKI-WOJBJXKFSA-N 426.494 1.627 30 10 IDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1630737288 FKNGBIHNUVCSDM-KUHUBIRLSA-N 448.570 1.751 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 1632344349 SCZSTFUVRSTLCB-OAHLLOKOSA-N 434.539 1.535 30 10 IDEE COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1632611462 APOJDHVODCDOEN-CVEARBPZSA-N 442.541 1.907 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1636585491 VPNVUPPBWJHBBX-CVEARBPZSA-N 441.456 1.695 30 10 IDEE Cc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1639957955 JFBIPKIETYJWAJ-FQEVSTJZSA-N 443.525 1.693 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 1640429197 JUPUGKPGWCJYGH-FCHUYYIVSA-N 441.553 1.876 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncns2)CC1 1641145015 FVITZQKIARXTOL-HNNXBMFYSA-N 448.574 1.340 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 1644986519 RMBFCXHCDLGEMC-MKXGPGLRSA-N 435.565 1.951 30 10 IDEE C#CCNC(=O)CN1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1647834378 MWRRDHYLYSPNHR-KRWDZBQOSA-N 430.553 1.396 30 10 IDEE Cc1ccc(C(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1S(=O)(=O)NCC#N 1648875539 GXVDWLRWXAHKNL-HZPDHXFCSA-N 448.545 1.734 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)CCn2cc(C#N)c(O)nc2=O)(c2ccccc2)C1 1650875101 RYPBBCTYBFWQTK-UHFFFAOYSA-N 439.472 1.473 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(-c2ccccc2)c1C 1656342922 FBANBFHKUKOZKK-HTAPYJJXSA-N 437.525 1.775 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(CC(=O)N3CCN(CC)CC3)CC2)c1 1657316083 AIUHKGZPTPKGQR-UHFFFAOYSA-N 439.560 1.582 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COCc3ccco3)c2)CC1 1667418374 LSEYZGKGPIJRSJ-UHFFFAOYSA-N 432.502 1.614 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1672906801 ZEMVOEYWVURVAZ-KURKYZTESA-N 436.553 1.973 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCC4CS(=O)(=O)C4)CC3)n[nH]2)cc1 1680174054 QCBQGCPKQVHTDF-UHFFFAOYSA-N 428.518 1.215 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CCOC 1689850417 BERJSFIOPSHSDC-GOSISDBHSA-N 426.569 1.488 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)OC(C)(C)C 1689953956 GDMBEHUVFVVUFK-UHFFFAOYSA-N 437.508 1.905 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690129483 YRRJTCYQRZYOHI-UHFFFAOYSA-N 442.589 1.377 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](COC)OC)CC1 1690148625 NHZQUHNDAYETKJ-OAQYLSRUSA-N 439.560 1.805 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1690658922 DOXWCHYVRVFYEB-LJQANCHMSA-N 445.612 1.811 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690724785 WIXINUXLUMGMJA-AEFFLSMTSA-N 434.566 1.848 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1690997180 FPALEZLTNABROC-HNNXBMFYSA-N 436.524 1.821 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1691004309 QORJZLHTXATKLI-HOCLYGCPSA-N 438.579 1.511 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1692501683 KVVUDLNWJVUKCU-ZBFHGGJFSA-N 429.500 1.638 30 10 IDEE CC1(C)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1692865194 RKOKGPMZFLWIHG-FMQUCBEESA-N 441.536 1.553 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1696619256 WLZJEQGRXVSOGK-VQTJNVASSA-N 437.548 1.642 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705580349 IUCDYNZCLWQZQI-FQEVSTJZSA-N 431.500 1.783 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1705587513 YEUFUFSKJJTGID-UHFFFAOYSA-N 425.464 1.351 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705661537 DQCRAAMCRVKBHX-UXHICEINSA-N 432.638 1.753 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1705725548 HLBIEWZELDELJR-VQIMIIECSA-N 447.561 1.975 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(OC)C2CC2)CC1 1705768931 DGUUIHSNKUFYKS-YLJYHZDGSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1705906483 GYEZIYPASWRVJV-INIZCTEOSA-N 426.521 1.389 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)C1 1705925245 MWSWELMOXNGKHP-HOCLYGCPSA-N 440.957 1.512 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)C1 1705941217 CRXGLOMMKLPOHI-UHFFFAOYSA-N 425.522 1.118 30 10 IDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1706059842 DHMGLLCXDDEOPK-UHFFFAOYSA-N 448.531 1.848 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1710308059 ULMSOWVHEOSVQX-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1710328301 BVFWQPAYMLCXAA-UHFFFAOYSA-N 444.499 1.588 30 10 IDEE CN(C)C(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1710987713 DEVLKXPOZFWXDF-MRXNPFEDSA-N 447.540 1.210 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C[C@@H]1C 1711471607 BAOBZDKBBZXVMQ-HNNXBMFYSA-N 437.504 1.620 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722290194 DBQXEUSWGQQHCB-ZNMIVQPWSA-N 428.459 1.340 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1722362576 UZFJIFKYGUYGMW-SFHVURJKSA-N 430.578 1.699 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1722374547 WVWATPZPYGTVEN-ZJSXRUAMSA-N 443.592 1.892 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1722389605 KLDBWVDTBGDNIC-KKSFZXQISA-N 447.561 1.469 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCCCC1 1722428333 FLNSGSZUNCDAOV-GOSISDBHSA-N 438.594 1.863 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1722438131 ZFQULFBHNXXEAE-VXKWHMMOSA-N 443.640 1.549 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(CCOC)c1 1722469197 WEBBZEOBVXSCDU-FGZHOGPDSA-N 428.537 1.814 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1722630095 VJLYOWSDDDQSQB-SFHVURJKSA-N 448.593 1.890 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1722671949 GRFKLGAHPIHEAE-MRXNPFEDSA-N 425.555 1.095 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722688765 LFFBXHMVSOWHNO-HOTGVXAUSA-N 444.511 1.916 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1722691976 CTDIVGZTCXHLKL-SCLBCKFNSA-N 441.363 1.836 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1728260424 GVLLCLYKEDZKME-UHFFFAOYSA-N 445.531 1.802 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1730762548 GHYSJTHAIXISNG-LSDHHAIUSA-N 443.474 1.480 30 10 IDEE N#CC1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1731185439 BYMUUXBCYUNGGM-UHFFFAOYSA-N 447.590 1.459 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1740539633 QLWLAJYPJPQVPL-KRWDZBQOSA-N 445.589 1.917 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1740672020 UXOKOXNFCAHTLL-IRXDYDNUSA-N 425.555 1.030 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 1740687730 KKGFLQOEVUAXDB-UHFFFAOYSA-N 443.552 1.936 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740719923 UTALTSXRAHAGFO-AZUAARDMSA-N 426.590 1.787 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740720576 DNTXGKHDXGWJHP-HXUWFJFHSA-N 431.587 1.645 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740762171 RVSDZALNNNTPAX-BQFCYCMXSA-N 439.582 1.281 30 10 IDEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740863733 FBUDYODFFHDNED-KRWDZBQOSA-N 429.529 1.211 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1740960118 LMTNQUIVJIIWPG-LJQANCHMSA-N 440.548 1.813 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740993906 FTUXXILTJHZHTH-ZWKOTPCHSA-N 435.594 1.859 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCCCN1CCCC1 1741917906 JZRVZIXLTPURLN-KRWDZBQOSA-N 437.614 1.894 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1746732854 BXRJSQBJERLEOH-LAUBAEHRSA-N 432.525 1.062 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1748791112 OXHOYRUWSIKOJD-BZSNNMDCSA-N 439.582 1.132 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1748803390 YDYRXVXVGSYLNK-INIZCTEOSA-N 439.607 1.284 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748825237 WRYNKHMSDDZZQM-TWMKSMIVSA-N 442.607 1.380 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1748892576 RNJIUPAJDZPSAZ-OALUTQOASA-N 434.562 1.086 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C1CC1 1748941043 VKIHWINDABGMQP-UHFFFAOYSA-N 438.507 1.819 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCCCC)CC1 1748971283 KJZMUTXDSFCNSA-UHFFFAOYSA-N 439.564 1.794 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)OCO3)CC1 1748978433 OLWUYDOAJUJOTC-QGZVFWFLSA-N 427.505 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCOCC2(C)C)CC1 1749015959 UMGSSNPDZIOLNJ-UHFFFAOYSA-N 428.581 1.307 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1749230312 WSHCFWJCIYAEGN-GOSISDBHSA-N 439.582 1.750 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCn2c(nc3c2CCCC3)C1 1749651930 CACKWNRJJCCSLG-INIZCTEOSA-N 443.552 1.400 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1749677427 YYNBXCSOEMELBS-UHFFFAOYSA-N 429.613 1.528 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(C#N)o1 1749970515 UKSJTUKEHNRFCP-YWZLYKJASA-N 449.533 1.530 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCNC(=O)C2CC2)cc1 1750382494 HGVBXSGKUSPBNL-UHFFFAOYSA-N 435.532 1.825 30 10 IDEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)o1 1751506477 OZUCYXTVCIJLCB-OAQYLSRUSA-N 441.513 1.904 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCCO 1751987797 XYHOWHQCFNWVAA-QGZVFWFLSA-N 426.521 1.948 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCS(C)(=O)=O)c1 1760128498 JXMOGVFRMNAJHY-SFHVURJKSA-N 445.545 1.621 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1C 1760173450 VXSPVINCOWBDTH-AEFFLSMTSA-N 431.562 1.937 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760183310 OLKHDWWOFSACPB-HNNXBMFYSA-N 446.558 1.876 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCOC2)CC1 1760257214 RCNYQDOABRNQEV-JTSKRJEESA-N 429.496 1.464 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1760351052 AUBLFYAFXBKHNW-UHFFFAOYSA-N 441.536 1.967 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760352635 UKZDMINJJKRZPP-IRXDYDNUSA-N 430.509 1.758 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1760495644 TUKSOQJIYQCKOU-DLBZAZTESA-N 425.555 1.216 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F 1760515052 AERCPAZNMFBCGX-AWEZNQCLSA-N 438.529 1.274 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1760695338 FZHYHKBRAOXJPQ-YOEHRIQHSA-N 430.534 1.118 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1=CCCCC1 1761498713 IIMFMPKSWUWTOD-LPHOPBHVSA-N 447.609 1.955 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N(C)C 1761872205 HQXPUDAISPEIPA-INIZCTEOSA-N 446.581 1.276 30 10 IDEE Cc1ccccc1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1762142518 BAPWZZLQFAPAMI-BEFAXECRSA-N 436.513 1.718 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)n1 1762440067 FFQLZSVLPQELBA-LJQANCHMSA-N 449.556 1.939 30 10 IDEE CCCNC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1764546710 FBMKDJQIRFPYMT-NRFANRHFSA-N 438.467 1.952 30 10 IDEE CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1766407305 QUVHHUBUEZCERN-VLGSPTGOSA-N 429.506 1.252 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)C[C@H]1O 1767920565 RJMSMSNOTWDZSO-QZTJIDSGSA-N 425.489 1.482 30 10 IDEE CN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1768544078 QSVNOFSTOHGOLO-HMWBCQRISA-N 427.534 1.752 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1768969525 KNBPJZXFQKNLDR-OAHLLOKOSA-N 425.461 1.722 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)CC1=O 1771135531 CFIXLLJVJGXTFI-UHFFFAOYSA-N 439.564 1.700 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1772516694 CTIXPTOIULHUGF-UHFFFAOYSA-N 435.937 1.523 30 10 IDEE CN1C(=O)[C@@H]2CN(C(=O)C3CCN(c4c(C#N)cnc5ccc(F)cc45)CC3)C[C@@H]2C1=O 1848552563 YZZODHQFGDMMTN-HDICACEKSA-N 435.459 1.535 30 10 IDEE CS(=O)(=O)c1ccccc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1851788782 QJOSCKSNOZTZEF-LJQANCHMSA-N 444.509 1.898 30 10 IDEE Cn1cccc1C(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)NOCCCN1CCCC1 1853510009 CUOYCQHSCUPQOP-UHFFFAOYSA-N 445.545 1.662 30 10 IDEE C[C@H]1CN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCN1S(C)(=O)=O 1856940811 GRTSITJOBGGBIY-GUYCJALGSA-N 438.937 1.113 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)c3cc(C(=O)O)ccc3n2)CC1 1858569961 HGOJZXCEDZPHPG-UHFFFAOYSA-N 439.453 1.416 30 10 IDEE CC(=O)Oc1ccc(C(=O)N=c2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)[nH]2)cc1 1860862019 RLYYMKUAMRZXFE-UHFFFAOYSA-N 446.423 1.620 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(CC)CCO 1870397350 BEQQRDCAJNBLOA-UHFFFAOYSA-N 430.461 1.774 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)cc1O 1874433115 FAULXMYGMZQRDO-GZIVZEMBSA-N 444.473 1.209 30 10 IDEE C#CCOCC(=O)Nc1c(I)ncnc1I 1987396951 KNAQEUJMECHZJZ-UHFFFAOYSA-N 442.982 1.274 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 2006229915 DHPLGAANCBSBST-HNNXBMFYSA-N 425.345 1.937 30 10 IDEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(Br)c1=O 2172903826 KBVDKNLEVWZAAN-GXTWGEPZSA-N 441.326 1.669 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CN)c1c(Br)nnn1C 2194770208 JBDFWGNAZRRFNL-AWEZNQCLSA-N 441.374 1.912 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CC[C@@H]3NC(=O)OCc3ccccc3)[nH]n2)OC1(C)C 2243387527 VYVWFDLNGOVRHT-CVEARBPZSA-N 440.309 1.896 30 10 IDEE C=C(Br)CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2244222805 WZEHSUUDZXYGMD-AWEZNQCLSA-N 449.323 1.625 30 10 IDEE C[C@@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2248394699 BGJFIUQKPUBJND-NEPJUHHUSA-N 438.359 1.843 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255543793 OJXNCHCKNGZWGC-HNNXBMFYSA-N 436.314 1.945 30 10 IDEE Cn1cc(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255648883 FXIOHXLMAQEJDK-UHFFFAOYSA-N 436.318 1.344 30 10 IDEE Cn1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653969 QBDURTUXGDFRIZ-UONOGXRCSA-N 434.346 1.895 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCONC(=O)OC(C)(C)C 2255831397 VGSVUXSJWZGUKJ-UHFFFAOYSA-N 438.334 1.778 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263861 KYPFLEFVDNUIKE-HUUCEWRRSA-N 448.329 1.140 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267278809 GADIRPZYHMWOBA-LZWOXQAQSA-N 444.341 1.761 30 10 IDEE CO[C@@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)COCc1ccccc1 2267572793 AAXOIEVABVLGLZ-QFIPXVFZSA-N 444.341 1.466 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269073109 GJUQZSPOCYGZSN-RHSMWYFYSA-N 443.309 1.508 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@H]1OCc1ccccc1 2337201589 WVIGYDUVLZIJCV-ZWKOTPCHSA-N 441.337 1.823 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 2339880102 BEWHQVQMXWYTKP-INIZCTEOSA-N 449.357 1.959 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=O 23852030 ITPIEDVWWPWXQN-SFHVURJKSA-N 428.489 1.356 30 10 IDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1sc(C(=O)OCCOC)c(C)c1C(=O)OCC 71555336 CVILMUXSZHBYPP-GFCCVEGCSA-N 447.531 1.964 30 10 IDEE C=CCn1c(=NC(=O)[C@@H]2COc3ccccc3O2)sc2cc(S(N)(=O)=O)ccc21 254293748 ZYMPLSXHCNIOIX-INIZCTEOSA-N 431.495 1.804 30 10 IDEE COc1cccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c1O 254340598 BKDCRASJCPCZHI-UHFFFAOYSA-N 448.483 1.951 30 10 IDEE CCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 254555556 YFJAKXVQBAEODE-UHFFFAOYSA-N 435.282 1.671 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCO1 409502846 PGZIVNQEZHJBSI-DLBZAZTESA-N 444.517 1.311 30 10 IDEE COc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)ncn1 433886622 VFSDEPUCZLUFEI-UHFFFAOYSA-N 438.307 1.630 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)c2)c1 476495892 PJLXNEQRHOHXMI-IBGZPJMESA-N 434.452 1.081 30 10 IDEE C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(c3oc(-c4ccco4)nc3C#N)CC1)CS2 481821724 CGYCXCJGJQIFQE-VLIAUNLRSA-N 427.486 1.909 30 10 IDEE N#Cc1ccsc1NC(=O)CN(CC(=O)Nc1sccc1C#N)CC(=O)NC1CC1 507418710 BHBIGBHSJUDLDT-UHFFFAOYSA-N 442.526 1.711 30 10 IDEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 507476926 HYRKRRUWEJMKPD-UHFFFAOYSA-N 427.442 1.667 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 512718108 ITIBTYLGPMNUEL-KRWDZBQOSA-N 431.512 1.516 30 10 IDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 513441850 FRQFTDWHIIHQCX-UHFFFAOYSA-N 448.523 1.754 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 514916353 JNYSQTVZSMYYBM-QGZVFWFLSA-N 447.516 1.878 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CC1 542725129 UUYFEKBLQMJEBT-UHFFFAOYSA-N 442.497 1.117 30 10 IDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 544865440 QNCHWIAXQSTBBI-UHFFFAOYSA-N 429.484 1.688 30 10 IDEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 549641602 SYIPVBDVIVCXCV-UHFFFAOYSA-N 439.607 1.995 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC2)CC1 550055687 DRBTYGMICTWMTH-IAGOWNOFSA-N 425.555 1.050 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 557746658 CUXSIFKFAYJRTE-INIZCTEOSA-N 431.543 1.517 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@@H]1c1cncn1C 562306804 SNPTZZYLOPQWBW-AUUYWEPGSA-N 426.525 1.378 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCCO2)CC1 572345537 SPEWRDWWBRMVDR-OALUTQOASA-N 439.520 1.528 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 604545627 YMXGURVOWLNNAS-SFHVURJKSA-N 444.538 1.678 30 10 IDEE COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1OC 619569774 NEXYHPAGVVIJQQ-LJQANCHMSA-N 449.511 1.463 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(C)ccc1F 727417864 KQFBNHSXBOCPFS-UHFFFAOYSA-N 441.484 1.595 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 728916118 USXJDPDKVZOQAC-IBGZPJMESA-N 441.532 1.675 30 10 IDEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1 729853916 OLWUSBNRMCNGQL-UHFFFAOYSA-N 426.491 1.989 30 10 IDEE N#Cc1ccsc1C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 731719837 QQCXIJCSUMVSDS-KRWDZBQOSA-N 441.465 1.287 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 731862204 ADEHDZYKUNSSMP-JEBJBBSMSA-N 440.500 1.337 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 744144555 PDSLWZISTVAZSV-GFCCVEGCSA-N 445.526 1.747 30 10 IDEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)cc1 746680640 MKQIBNJGSJZHHP-UHFFFAOYSA-N 438.527 1.859 30 10 IDEE Cc1ccc(NC(=O)COC(=O)c2cc(C#N)cn2C)cc1S(=O)(=O)N1CCOCC1 751730856 XXECLXSEPNKOAV-UHFFFAOYSA-N 446.485 1.022 30 10 IDEE CCc1c(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cnc2c1c(=O)n(C)c(=O)n2C 754345928 IMDPIGADLCMGMC-KRWDZBQOSA-N 447.451 1.029 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 758053551 UXSJQYLLFFKZIF-UHFFFAOYSA-N 447.472 1.052 30 10 IDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c(OC)c1 761312454 YDSVJQQHXLYOPT-UHFFFAOYSA-N 439.515 1.816 30 10 IDEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768415395 AOIWVZXTCFILBC-MRXNPFEDSA-N 447.540 1.462 30 10 IDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)c3c(F)cccc3S2(=O)=O)CC1 799315406 FLOOQCYWLGCKRE-KRWDZBQOSA-N 442.472 1.379 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@]2(CCCOC2)C1 804129841 GWDZUXOHALVKIU-LAUBAEHRSA-N 435.546 1.692 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)C1=O 849536224 WKSGXLWHBHIOJY-SFHVURJKSA-N 443.504 1.196 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cccc(OC)c3)n[nH]2)cn1 1084159228 FDTXSFKQFWPBPM-UHFFFAOYSA-N 430.494 1.833 30 10 IDEE CCOCCOC[C@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1139766727 RAQJZNASEBPSDI-JWRWLIQVSA-N 425.526 1.303 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)N[C@H](C)C(C)C)s1 1145002922 AKPHTXAFYJIYPV-UKRRQHHQSA-N 445.632 1.817 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1B1OC(C)(C)C(C)(C)O1 1157542711 KPTRIJXYPUXJRL-HJPURHCSSA-N 441.337 1.887 30 10 IDEE C[C@H](CC(=O)Nc1ccccc1O[C@@H]1CC(=O)N1)/N=C1/NS(=O)(=O)c2ccccc21 1162420448 XYWALVVGQAFQPI-CWTRNNRKSA-N 428.470 1.367 30 10 IDEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1179416063 WTKSWMXHJLNAPJ-UHFFFAOYSA-N 433.509 1.610 30 10 IDEE Cc1cn2c(=O)c(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)cnc2s1 1183324280 DHKYKMPOUQPLSF-UHFFFAOYSA-N 434.275 1.861 30 10 IDEE N#Cc1ccc(C2CCN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)nc1 1196418814 GVBTUQNJEPNWEI-UHFFFAOYSA-N 441.557 1.529 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)OCC)c(Cl)cc2F)CC1 1211638465 DKXKLHBEIUWHEH-UHFFFAOYSA-N 430.885 1.806 30 10 IDEE C#C[C@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)[C@H]1CCCO1 1226724969 PWSWUEKWJPIHSK-CLJZWUSWSA-N 435.521 1.655 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)CC 1286278837 HEMGCVXUNDYAGI-HBIPHATFSA-N 437.591 1.422 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286323156 GJHGZMUYLXUPLY-QZTJIDSGSA-N 427.553 1.615 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286340066 VNBWMYQKWNYDAW-SFHVURJKSA-N 429.488 1.762 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286392954 IHRQBRLVHJMWFL-JUXOCIIHSA-N 445.589 1.688 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1286409056 HWJHBZVUPGDZIJ-SJORKVTESA-N 449.577 1.414 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCNc1nccc(C(F)(F)F)n1 1286409925 TXMZFKQQQVQIFO-UHFFFAOYSA-N 427.394 1.729 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1 1286446987 XOGZXODFJAVDLP-UHFFFAOYSA-N 429.529 1.424 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(=O)NC)c2)CC1 1286481278 BLEDTUVNNJOUGT-UHFFFAOYSA-N 449.584 1.797 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286607455 GZOZSAJUKCLYFC-SJORKVTESA-N 434.566 1.500 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C 1286740049 BZGIOVXWRJKQJS-UHFFFAOYSA-N 426.521 1.690 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286788875 JFKMWCWVTNPOMB-HNNXBMFYSA-N 430.940 1.882 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286818932 TZMJKNDNZDYCIY-ZDUSSCGKSA-N 432.428 1.103 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1287143774 ABURGNACRAQGPT-OXQOHEQNSA-N 433.534 1.484 30 10 IDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCN(C)C)CCO2 1291325927 OQTQRLJZFIZLEL-MBSDFSHPSA-N 440.548 1.779 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(Br)cnc3[nH]2)c1 1298352596 ULJOFTDMQDRUCR-UHFFFAOYSA-N 434.275 1.884 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1300904303 LUMUTEQEFLIHGG-HXUWFJFHSA-N 436.516 1.893 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301082568 JGQULNBMTXOJDF-MSOLQXFVSA-N 430.484 1.818 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301447312 BJVBASJEMCTYLE-ZHRRBRCNSA-N 440.552 1.710 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1301538673 JYFYFNIQWMXOAN-CWQOZTLDSA-N 441.598 1.873 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1301596183 JXNPUOWMYRABHT-RLFYNMQTSA-N 427.502 1.045 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1302195127 LXOKLIMIWSUFBU-BOCKYXSRSA-N 441.532 1.846 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302748757 ZYHPDSIFRQGWGD-IGGDJGDASA-N 441.536 1.523 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN(C)S(=O)(=O)CC 1306153969 RCDVLJOGQKYXLX-UHFFFAOYSA-N 433.538 1.047 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1306621535 YSDFPMTUHDTVOF-ROUUACIJSA-N 437.504 1.810 30 10 IDEE Cn1cc([C@@H](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C2(CO)CCC2)cn1 1307800476 IERMFTIWPXFWLH-GHTZIAJQSA-N 442.589 1.684 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1313438144 HYYAVNOAJQXNMW-UHFFFAOYSA-N 428.924 1.283 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCS2(=O)=O)cc1 1354942303 JRFOQZMLSBJFCX-SBCIHWNMSA-N 427.548 1.795 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1359034166 GFPFHYHAQKMFDA-GOSISDBHSA-N 435.532 1.910 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=C)c2ccccc2)CC1 1359044824 PJYRPRQWPWWMJD-HXUWFJFHSA-N 432.528 1.908 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359142172 BLCISENEKBORHE-INIZCTEOSA-N 442.948 1.329 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359226903 PEYIUYYWJZKVDJ-RTWAWAEBSA-N 432.613 1.981 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1359240464 OWEAGSQHNZWEQN-MSOLQXFVSA-N 435.550 1.621 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359303296 JJXDZFPJLUPQHB-FDDCHVKYSA-N 425.533 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359327373 ZHAMNMSVUDOPPF-SJORKVTESA-N 437.566 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@@H](C)C1 1359329227 CFLWDKHTZLCBGP-HOTGVXAUSA-N 448.545 1.931 30 10 IDEE C[C@@H](CN1CCCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1360596778 HBBQFHJWFVUDJB-ROUUACIJSA-N 438.536 1.776 30 10 IDEE COc1cc(Br)cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1439157934 GMWDFZMCNRGHAI-UHFFFAOYSA-N 438.303 1.813 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cn1C 1453581866 JKOLNUFHFSBOTL-UHFFFAOYSA-N 431.518 1.091 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)C2)C1 1456862938 SKUKIRXRWJYORA-NTJSKJDOSA-N 432.565 1.831 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC([C@@H]4COC(=O)N4)CC3)CC2)cc1 1463148460 JEQXQCCOHOEWPH-IBGZPJMESA-N 446.529 1.306 30 10 IDEE COC(=O)CN(C1CCOCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1463191536 AXNARPZNIGZNSI-UHFFFAOYSA-N 435.271 1.803 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)n[nH]2)c1C 1464160238 SUYSAGJKRHTTCU-UHFFFAOYSA-N 439.564 1.702 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCNc1ncc(Cl)cc1Cl)c1cc[nH]n1 1464199794 IJFOMWDOJVXIDM-UHFFFAOYSA-N 429.264 1.624 30 10 IDEE C=CCN(C(=O)c1cc(S(N)(=O)=O)cnc1C)[C@H](Cc1ccccc1)C(=O)OCC 1466893381 XJBAJWDWMDHETK-LJQANCHMSA-N 431.514 1.840 30 10 IDEE N#CCc1ccnc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 1467112501 DLEOIXJJRXIPBC-QGZVFWFLSA-N 429.502 1.927 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1470163694 UTRZTSFKAOPUAJ-SFHVURJKSA-N 427.461 1.883 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](O)c2ccc(C#N)cc2)C1 1471777366 MIDQZWWAXMQYLP-DLBZAZTESA-N 437.518 1.132 30 10 IDEE N#CC[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(F)(F)F 1471960104 MWLFOGHQWUPEEF-HNNXBMFYSA-N 435.424 1.867 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1479545329 RMNIUJNZEBKDDW-UHFFFAOYSA-N 433.509 1.160 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2CCCn2cnnn2)cc1C 1492246080 BQGLQBKJGJASNA-UHFFFAOYSA-N 434.508 1.964 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H](C)C#N)CC1=O 1504906168 PPNCEGGTKHJGQH-GDBMZVCRSA-N 431.566 1.725 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507564802 WYIXTEJRFVUCBT-QRVBRYPASA-N 435.594 1.141 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507590071 BYAJBBKZUKISRE-PMACEKPBSA-N 448.637 1.198 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1507624632 CMWICKXEKOULNG-IBGZPJMESA-N 431.562 1.202 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1507651242 INQOYXCACUAKKS-SFHVURJKSA-N 426.542 1.775 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(CO)c2)CC1 1507721160 ZHNDGBDAIUAPAV-XMMPIXPASA-N 439.560 1.615 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)CC1 1507722315 UMJKNQQTGOSALK-CYBMUJFWSA-N 436.504 1.232 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCCN2CCOCC2)CC1 1507724953 MXPJUUKWKIDUCM-UHFFFAOYSA-N 438.576 1.821 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 1507849196 UIAGYXHZHNHAKM-FPOVZHCZSA-N 449.596 1.896 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3nccn3C2)CC1 1507895947 FSNWGZBXJJMWJM-DOTOQJQBSA-N 433.582 1.750 30 10 IDEE C=CCCCCn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1507937714 SNORUQVUTCYCPT-UHFFFAOYSA-N 430.557 1.399 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)CCOC1 1509817014 OJJXILNPUWUONN-NNMXDRDESA-N 449.552 1.491 30 10 IDEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@]2(CCOC2)O1 1512389554 SLASPYOJICZPIR-PHJJKENSSA-N 444.536 1.486 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCc2ccco2)CCOC1 1516163653 WOBJXYJEOVKCBR-NRFANRHFSA-N 428.493 1.580 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC(C)C 1539233063 ZVLOIKJFDBEMCF-UHFFFAOYSA-N 440.935 1.849 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCn2ccnc2C1 1539400961 NYAMCMWKIRLIHV-CVDCTZTESA-N 442.564 1.864 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1539514188 OVILAXWCKLZTRC-RTBURBONSA-N 441.557 1.880 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540020401 UQNWFCOKJHCLSE-NRFANRHFSA-N 427.509 1.481 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1540200577 DFHSEENXVYJOGV-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540370817 HCLMCIFZQLEFQS-IBGZPJMESA-N 441.532 1.280 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1540871224 GZWBXCQYKZHUCC-HZPDHXFCSA-N 444.502 1.795 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540874129 WEYRLSPLVOZDDM-UHFFFAOYSA-N 446.559 1.791 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)C1 1540881887 VPGVDFFMBWQLDR-SFHVURJKSA-N 430.553 1.602 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCOC2)C1 1540885766 OYDQVWHZQXWAEU-DYESRHJHSA-N 448.545 1.281 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1541994954 GHHZBBLAINCJEN-NRFANRHFSA-N 444.561 1.732 30 10 IDEE C=CCN(C(=O)c1cc(F)cc(I)c1N)[C@H]1CCS(=O)(=O)C1 1542217334 YFZRFZKMUOFXLG-JTQLQIEISA-N 438.262 1.828 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CONC(=O)OC(C)(C)C)cc1 1543124913 VJHWCBQJNZUFMF-RCCKNPSSSA-N 426.495 1.894 30 10 IDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1545342505 QVLSWAXAQOOCQJ-WBMJQRKESA-N 446.472 1.963 30 10 IDEE CN(CC(F)(F)F)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554140715 LHTNOVISDUEASP-HRZQKCLFSA-N 428.415 1.697 30 10 IDEE CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1554188255 HDGQCBTVAHJGFW-UHFFFAOYSA-N 426.506 1.182 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1555558795 FMBZIMLWVCUDNQ-QFIPXVFZSA-N 436.520 1.361 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1555796921 MCFLGBUPEHSUFJ-CVEARBPZSA-N 437.472 1.864 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1558463888 AQYQTMPFRSLKFP-SFHVURJKSA-N 443.529 1.595 30 10 IDEE CN(C)S(=O)(=O)NCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633706 IENBALGFVODPMW-BQBZGAKWSA-N 433.321 1.012 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)C(=O)NC(C)C)nnc12 1558995305 GORIDMZMKOANRQ-CYBMUJFWSA-N 428.518 1.352 30 10 IDEE C#CCN(C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC)[C@@H]1CCS(=O)(=O)C1 1562784532 MKFPBFBHMBZBTA-CYBMUJFWSA-N 427.910 1.705 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1565335049 OARJYVSSXGYQIH-SJORKVTESA-N 427.567 1.856 30 10 IDEE CN1CCN(c2ncccc2CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1583869722 AOCDSIGQQASGDQ-UHFFFAOYSA-N 431.493 1.200 30 10 IDEE Cn1cc(N2C[C@H](C(=O)Nc3ccc(C#N)cc3I)CC2=O)cn1 1584667595 XAWOFTUUELLOMP-LLVKDONJSA-N 435.225 1.888 30 10 IDEE N#C[C@]12CN(C(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1585660306 JETKILIILYOSLF-MGPLVRAMSA-N 443.382 1.436 30 10 IDEE C#CCN(CC(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1)C(=O)OC(C)(C)C 1587443246 WOOIQNVTUKBCJA-MRXNPFEDSA-N 435.525 1.682 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O 1587739636 XHJYWLNFPZLRBD-UHFFFAOYSA-N 433.534 1.505 30 10 IDEE C#CCCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1587793244 KIABYYDELASYFO-XXBNENTESA-N 445.564 1.561 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1587922042 QHBPLHKMRVYMBW-QFIPXVFZSA-N 426.521 1.280 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCOC1 1588228689 JYXBJTCJVNXJHP-QHCPKHFHSA-N 435.532 1.066 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2)c(F)c1 1588637776 KJXTWWVXBVYTKO-SFHVURJKSA-N 437.479 1.688 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1594802863 JTACFOLLAFMWEB-QGZVFWFLSA-N 437.508 1.465 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1594813434 SPVBYLJWFRPYNK-QGZVFWFLSA-N 429.525 1.500 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1c[nH]c(C(=O)N2CCCC2)c1 1611049296 ISBWYNMXCIOZOE-UHFFFAOYSA-N 429.502 1.708 30 10 IDEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1613605843 FJXKOOGYUFYPCW-HZPDHXFCSA-N 441.540 1.218 30 10 IDEE C[C@@H]1CCS(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1615729977 LRCXBAZOXHOBGB-OXJONJSCSA-N 425.551 1.809 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1617313211 FSEVBWBENIRTIF-MSOLQXFVSA-N 442.545 1.499 30 10 IDEE COCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619852310 QAIZSQILYGZZGU-INIZCTEOSA-N 429.550 1.483 30 10 IDEE COCCOC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1620034165 BOHGLULFWPDPBO-QGZVFWFLSA-N 434.541 1.322 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](N4CCOCC4)C3)C2=O)cc1 1624433832 KWHZFYOLFRHSQA-OALUTQOASA-N 425.489 1.086 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)nc(Br)c1 1627266067 XNTCCWRVOZCUQK-WYMLVPIESA-N 444.083 1.863 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCN(CCC#N)CC1)Cc1ccc(C(F)(F)F)cc1 1636649310 ULIPFTYPAZUQGG-INIZCTEOSA-N 425.455 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 1637932704 LKFIPJDSQWEQIZ-OALUTQOASA-N 442.516 1.662 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1642903557 SOFKHRXWWLRUSN-AWEZNQCLSA-N 448.545 1.947 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2ccc(Br)c(C#N)c2)c1 1645446406 MRRZIZJJRBHANN-UHFFFAOYSA-N 427.280 1.826 30 10 IDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1647297251 SERHCRIESACBHA-LJQANCHMSA-N 446.305 1.702 30 10 IDEE C#CC1(O)CN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)C1 1648355291 ASOPFNDRPXOEBD-UHFFFAOYSA-N 429.454 1.833 30 10 IDEE C=CC[C@H]1CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1655819108 QXTLOGBDILCYBW-SFHVURJKSA-N 448.589 1.897 30 10 IDEE C[C@@H](c1ccccc1)N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1656779003 ODXFVSOBKBJOMB-HNNXBMFYSA-N 426.473 1.443 30 10 IDEE CCN(CCC#N)C(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1659348860 QVUYSMUNYSUWBN-UKRRQHHQSA-N 434.459 1.602 30 10 IDEE CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1660759306 CXFIDOIIDKDRFZ-UHFFFAOYSA-N 429.340 1.153 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)CC1 1672743900 KAQBEGMFHKZBHL-UHFFFAOYSA-N 433.456 1.389 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCc3ccc(CC#N)cc3)CC2=O)C1 1686890005 SKWNVQUQGAXABS-KRWDZBQOSA-N 427.505 1.772 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 1687229193 UGJOFKCEVJJBHE-GOSISDBHSA-N 426.546 1.747 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1689848232 QZRQONARJZGJGR-GVDBMIGSSA-N 428.537 1.963 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689889053 XQEOXHCDUZZPOH-SFHVURJKSA-N 437.548 1.796 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)CC1 1690146249 JBIILCKJQYWQQT-SFHVURJKSA-N 444.580 1.300 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)CC2CC2)CC1 1690150712 RIRGSDDNZDTMJP-UHFFFAOYSA-N 433.578 1.021 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1 1690586438 MQXZDTYPBYJJJM-UHFFFAOYSA-N 447.517 1.971 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690667799 IOCLKEONMNJYDX-MRXNPFEDSA-N 427.553 1.954 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1690700571 UVSPUEHYFJDISD-IEBWSBKVSA-N 427.505 1.476 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1705668820 UWMHMZSLQJSVIC-SUMWQHHRSA-N 425.946 1.431 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705780973 MPUJAKPCZPQUIY-CRAIPNDOSA-N 438.598 1.549 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1705829311 NEDKGRHQVOVFOX-GOSISDBHSA-N 436.520 1.415 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1705844222 XYGPGUBCSYRYRY-MSOLQXFVSA-N 440.614 1.354 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1705884543 RBCWPZANNGMTPW-INIZCTEOSA-N 439.582 1.268 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705897538 NTSNOTKOQBPDMX-MRXNPFEDSA-N 428.541 1.609 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1705902570 HLNUWEKHIWDDLL-OALUTQOASA-N 443.573 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705932201 OSUDDAMQZWGHJI-QZTJIDSGSA-N 435.550 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705932439 DNARZKVBBSGGQL-AEFFLSMTSA-N 429.546 1.569 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1705946204 BORNFWFMURQMCK-INIZCTEOSA-N 449.606 1.216 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1711432216 JSZBLTWUNJWLPD-OSCRUYLVSA-N 442.520 1.852 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1712616464 ZXEFNETVPMNRAV-UHFFFAOYSA-N 436.520 1.988 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1712705299 MRCYPNCTZJJLEM-MRXNPFEDSA-N 430.534 1.325 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)C1 1712877320 IGAIDQSIQHILBN-HXUWFJFHSA-N 429.525 1.973 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1712884097 GMELGYOSPZQGSK-AEFFLSMTSA-N 433.509 1.562 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1722279481 UEIVZYCPQHNTEA-JQWIXIFHSA-N 434.298 1.482 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722330191 PQXQVHFXWPGOOH-HSZRJFAPSA-N 433.516 1.568 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722360189 DUHWHLVUNCUZMF-GCJKJVERSA-N 443.573 1.908 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722365046 KBIHOVKVGTYYJI-INIZCTEOSA-N 439.488 1.172 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722365141 KNPXUVZYPCGYAV-QGZVFWFLSA-N 426.502 1.235 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1722380646 SYBICFQGMAAVJP-SFHVURJKSA-N 448.527 1.970 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@H](C)C1 1722455454 UAZMWKJUZHHTOR-OAHLLOKOSA-N 427.530 1.750 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1722461423 OJYYPFQSQLBTRR-IRXDYDNUSA-N 441.623 1.460 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccccn2)CC1 1722695163 VPERKDPQPJCHNA-UHFFFAOYSA-N 433.516 1.978 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722721551 UODJSHTYKZFPSQ-RBUKOAKNSA-N 430.553 1.440 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722725402 LAMWNXMIYPJWNN-MSOLQXFVSA-N 447.536 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722727264 JVWLMLVDVKXWLC-UHFFFAOYSA-N 434.566 1.615 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)cc1 1724437274 BOFCXIQIFULVRW-SFHVURJKSA-N 436.472 1.917 30 10 IDEE Cc1nnc(N2CCN(c3ccccc3F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726402995 MNSNYXITNPFZCG-FMQUCBEESA-N 425.468 1.579 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)CCOC1 1728818512 QWYYSIRWIHMKSY-WAOWUJCRSA-N 435.525 1.102 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1729298506 IXZQTZNEKPGKAO-WOJBJXKFSA-N 443.596 1.855 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C[C@H]1O 1729785480 NWGIHDQCCTXWND-BURFUSLBSA-N 429.452 1.619 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCC(=O)NC2CC2)CCO1 1731186734 GIAAZBOWXCOINI-MRXNPFEDSA-N 428.468 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC(C)C 1740537655 XSMNMNGGDRROGG-LBPRGKRZSA-N 443.371 1.821 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 1740617548 STRNZPPKXAMNIW-FQEVSTJZSA-N 445.614 1.815 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1740618966 DZBNSYRMGMDQEW-SFHVURJKSA-N 441.513 1.755 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(Cn2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1740626105 SCTXIXIYCCHOLS-FQEVSTJZSA-N 438.557 1.760 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740697208 VUMOJSBMKLGQCB-UHFFFAOYSA-N 429.590 1.825 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC(=O)N(C)C)CC1 1740700482 UTFVREBAYMDVPB-UHFFFAOYSA-N 426.521 1.099 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740709772 RDEZXEIYSAYNIW-LSDHHAIUSA-N 429.612 1.506 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1740719162 AJQHLAQXKXJXBJ-UHFFFAOYSA-N 440.577 1.192 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740857038 AUYBHJXEYURHEL-KRWDZBQOSA-N 427.509 1.623 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740955107 LVAAHSZTSXCTOG-UHFFFAOYSA-N 433.516 1.568 30 10 IDEE CCc1nnc(N2CC(C)(C)O[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744583102 JOHXTLNWSHDRCJ-RURFIKTLSA-N 430.509 1.141 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)c1ccco1 1747193809 MKQCXYLYZOKXEF-QFIPXVFZSA-N 437.504 1.909 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC(C)CC2)CCO1 1748209081 CUZQGMKLJISIMZ-HXUWFJFHSA-N 437.548 1.500 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(CCN(C)C)CC1 1748647723 SHSBUGPWVAANJV-XXBNENTESA-N 432.613 1.662 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748811398 GIJRCDAMSYYTLF-MJGOQNOKSA-N 446.577 1.813 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCn1cc(Br)cn1 1748824874 LIXLYGZMHIRGGP-UHFFFAOYSA-N 432.326 1.538 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749097619 FOBAQCYCRWINSY-OLZOCXBDSA-N 441.330 1.853 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749136049 KKTPAGXVRBNXFB-ONTIZHBOSA-N 439.560 1.996 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1749193766 PKXGGZZOQOLSPB-GJZGRUSLSA-N 436.538 1.841 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)nc21 1749489651 ZCPREXFNVUJWOS-DLBZAZTESA-N 449.581 1.316 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749679888 CWBBOJUFEZGYAE-HNNXBMFYSA-N 446.483 1.575 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(O)CC2)C1 1749717085 GPVPPAGMHYYWSV-IBGZPJMESA-N 432.569 1.029 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1750197269 CLOYNRQYLKOEES-IBGZPJMESA-N 444.561 1.448 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1750213025 NHUVHERNPRZXQI-HZPDHXFCSA-N 448.549 1.451 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1760112010 YZVVPHGPIHDXEU-YESZJQIVSA-N 436.516 1.673 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760138280 VQZBONWDUOFCJI-MSOLQXFVSA-N 433.578 1.575 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760187554 KBRNQGQATKKIDI-RTBURBONSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1760203488 GGHVLJWSONFOKU-UHFFFAOYSA-N 438.963 1.759 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760206655 HSBISLHWQLPOJG-IBGZPJMESA-N 441.557 1.254 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)CC)CC1 1760255720 OFPMTSAPPXREKU-UHFFFAOYSA-N 427.530 1.881 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCC(=O)N(C)C)CC1 1760261304 NREDVUMJSKMQMP-UHFFFAOYSA-N 433.560 1.905 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1760268556 UCGZVBKNLJUUPB-HSZRJFAPSA-N 438.507 1.528 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1760433509 HGTNSKHCESUTEU-QGZVFWFLSA-N 430.534 1.890 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1760495375 MOMADALSRJCKEM-MOPGFXCFSA-N 437.610 1.715 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760501188 JATARNASXHWSLS-ROUUACIJSA-N 449.577 1.892 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760527570 ATUZPMOBMKMJTO-HZPDHXFCSA-N 431.424 1.413 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(N)=O)c2)C1 1761542384 HAEYWZWORDTVRR-JOCHJYFZSA-N 432.488 1.778 30 10 IDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)s1 1764685856 HQNKTSMMBHTXGE-UHFFFAOYSA-N 431.547 1.760 30 10 IDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1766509897 AVCMNZMBELPBRR-FQEVSTJZSA-N 431.518 1.267 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1767384506 AOSYKODFECDOQI-BTYIYWSLSA-N 427.509 1.928 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1CC 1768171951 IJNYRIPBTIZALR-HXUWFJFHSA-N 439.564 1.842 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ncccc1C 1771220311 WENMDZFPYYTFAC-MJGOQNOKSA-N 425.537 1.930 30 10 IDEE N#Cc1ccc(NC(=O)NCCN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 1851571195 GUBNAJVYQSIEPS-OAQYLSRUSA-N 435.484 1.664 30 10 IDEE Cc1ccc(-n2c(C)nn([C@@H](C)C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)c2=O)cc1 1851713666 LGUZEXGSNGSBKI-HNAYVOBHSA-N 434.456 1.842 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)OC[C@H](C)N2CCS(=O)(=O)CC2)c2ccccc21 1852090632 TWSLYWDBYHMORG-KRWDZBQOSA-N 435.546 1.736 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C1=O 1854555341 RPGKNCRUEMPITG-IAGOWNOFSA-N 436.534 1.246 30 10 IDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(C#N)c2)C(=O)[C@@H]1C 1856881588 RPLSQFOQTXLPBX-HNNXBMFYSA-N 427.482 1.937 30 10 IDEE CCc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155314 HBFHXMDRDLGFCI-UHFFFAOYSA-N 445.395 1.844 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)cn1CCO 1870523720 SVKRALWQZBWAQZ-UHFFFAOYSA-N 425.529 1.752 30 10 IDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562376 AJEHIKXOBOCMAD-UHFFFAOYSA-N 447.543 1.936 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2022845424 HZDMAUOTHLDTPR-YCRPNKLZSA-N 438.525 1.577 30 10 IDEE N#CC1(CS(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)CCOCC1 2174780636 WSVIYOVQCQWCPZ-SFHVURJKSA-N 437.518 1.264 30 10 IDEE C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243685965 FDYYKIFYUZSMHN-ZJUUUORDSA-N 430.311 1.449 30 10 IDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2247937491 MQBFECZNXCIHAJ-OKILXGFUSA-N 428.335 1.223 30 10 IDEE C=C(CNC(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1)B1OC(C)(C)C(C)(C)O1 2254014343 PRRLUWMBPYVSPB-XHSDSOJGSA-N 438.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2255620774 ZMGOSMBMNHDZFZ-HUUCEWRRSA-N 437.346 1.664 30 10 IDEE Cn1nc(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843725 KWFBOXZMCAGCJA-UONOGXRCSA-N 434.346 1.895 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255869898 BZXAYLZLFWZZOA-UHFFFAOYSA-N 435.334 1.315 30 10 IDEE CCC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2255874084 RAZFJARSAGXWTR-CYBMUJFWSA-N 437.350 1.538 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2258276135 OBXBLVNFPJZWMH-UHFFFAOYSA-N 437.346 1.228 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1 2267185663 YOLXBLYOKQSKQV-KBMXLJTQSA-N 446.357 1.847 30 10 IDEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267548399 RKVTWANVZILIKD-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE Cc1cnc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267571927 OXANVJPIMJNJDP-UHFFFAOYSA-N 437.349 1.666 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267808761 CLDAQCGDPIRHIV-WBVHZDCISA-N 448.325 1.401 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CCC([C@H](C)C#N)CC1)NC(=O)OCc1ccccc1 2286039147 GPEVAVYFTIGAKU-QAPCUYQASA-N 437.518 1.656 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2312976197 ROCSMMKTPUHGKT-OWCLPIDISA-N 438.330 1.118 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)ccc1OC 2330743652 JNBJWACTMKMWOT-UHFFFAOYSA-N 434.522 1.432 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2334265397 HOOZSAIGJGXFQG-HZSPNIEDSA-N 447.345 1.242 30 10 IDEE CCn1c(=O)[nH]c(=O)c2c(/C(O)=N/S(=O)(=O)c3c(C)noc3C)cc(C(C)C)nc21 40153182 IWGZDLYFNPPTHK-UHFFFAOYSA-N 435.462 1.526 30 10 IDEE Cn1nc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c2ccccc2c1=O 109891663 PHMKWWXDDUKVNF-LJQANCHMSA-N 433.493 1.888 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@]4(CNC(=O)C4)C3)nnc12 447701371 QVXZEBDJHWIISV-NRFANRHFSA-N 438.513 1.061 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 479048089 URCHGGDCFCADAT-MAUKXSAKSA-N 437.479 1.509 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 481764788 HVSDOPICTHMAGE-PWRODBHTSA-N 446.523 1.577 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 481788650 ZVSIQDSNSFPPRP-INIZCTEOSA-N 446.573 1.913 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(CN4CCOCC4)cc3)C2=O)cc1 487091715 GHYOJHDVMHNNAK-QHCPKHFHSA-N 447.539 1.991 30 10 IDEE CS(=O)(=O)c1csc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 502221026 VACVUCLWDMEKRK-UHFFFAOYSA-N 439.540 1.170 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 505367282 BDFUIZAZVIDMEK-IBGZPJMESA-N 428.581 1.938 30 10 IDEE Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508191251 RXZWFFRGKCMTNE-UHFFFAOYSA-N 440.504 1.928 30 10 IDEE CS(=O)(=O)N1CCC(N(CC(F)F)S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 510600080 MXETXDPXGUKSFP-UHFFFAOYSA-N 441.909 1.891 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 535896498 REOVILLCVSBABC-KRWDZBQOSA-N 447.507 1.786 30 10 IDEE COC(=O)COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 541201116 SXZGEHJXWPCDLD-UHFFFAOYSA-N 429.498 1.617 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 548951600 XLJXINPKRPUFJN-GHTZIAJQSA-N 447.561 1.549 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 570828489 LHRPFAOMRGGWDB-QGZVFWFLSA-N 425.489 1.935 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCN(S(=O)(=O)N(C)C)CC1 582389343 HEIOCAXVSQJWKM-MRXNPFEDSA-N 439.607 1.833 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(N)=O 589159395 QCQNWTPEDFYCKT-UHFFFAOYSA-N 433.489 1.098 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1-c1ccccc1C#N 604003043 YBZUPTFRHMSKCC-UHFFFAOYSA-N 428.517 1.945 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCN2C1=O 610776824 ALZSRWGVVYYRFG-LJQANCHMSA-N 447.451 1.784 30 10 IDEE COc1ccc(C(=O)N2CCC(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1OC 735761495 RBSDQNPNNXKOIH-LJQANCHMSA-N 441.532 1.690 30 10 IDEE Cc1ccccc1Cc1nc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 751632199 VXNNXLGOICYFBD-UHFFFAOYSA-N 426.454 1.751 30 10 IDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 759484642 VHXFTSUMQUYNHC-QGZVFWFLSA-N 445.501 1.466 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766423534 AVGYVLOLPJSUFL-LJQANCHMSA-N 436.541 1.658 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 777896677 BUXPHDFCAQPEJV-HOCLYGCPSA-N 447.962 1.566 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCCn1ccnn1 784118576 PBNRLZUIWVMNIW-SFHVURJKSA-N 443.577 1.676 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnn(-c3ccccc3OC)c2)n1 788692426 GGTFXBWKWYNJDB-UHFFFAOYSA-N 429.502 1.548 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1cc[nH]n1 789964025 PVHFGKHBALPZLL-UHFFFAOYSA-N 433.509 1.381 30 10 IDEE COCCCN=c1scc(-c2cnnn2C)n1N=Cc1c(Br)cnn1C 794841566 UDGAOJAPPJMZFV-UHFFFAOYSA-N 439.343 1.661 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 800040219 YKLARBWPFMVUAG-GVDBMIGSSA-N 428.555 1.567 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 804455578 XRNRTXPGABXEKL-LJQANCHMSA-N 428.510 1.892 30 10 IDEE C#C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(F)cc1 812747944 HLVYJUAVMWUYGC-NRFANRHFSA-N 429.517 1.931 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1 1119009501 UJVSSZZOUWICNH-LJQANCHMSA-N 432.454 1.693 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1133110982 SYMUQJFVNBTNAK-FQEVSTJZSA-N 433.461 1.155 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OCC 1171431398 XYKGBYYFJMDMLE-SSDOTTSWSA-N 445.744 1.962 30 10 IDEE N#C[C@]12CN(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)C[C@H]1CS(=O)(=O)C2 1235672717 PYKDXBAYLFPDJH-UOWOHEGISA-N 444.282 1.601 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@H]1CCCO1 1252271203 BSBGIUWMQXAPQJ-LJQANCHMSA-N 437.565 1.607 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286389359 INKNYWUEMAXINZ-SJORKVTESA-N 430.534 1.321 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286397852 VBZCJQTXIZTYAA-LJQANCHMSA-N 445.545 1.448 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1286413846 OHVJYHWBQUVQBA-JOCHJYFZSA-N 447.587 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(CCC)C2)CC1 1286490084 LCZAAJUSJIGJHI-GOSISDBHSA-N 438.580 1.376 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1286561971 DJJNESCHXOFOKV-JXFKEZNVSA-N 432.569 1.733 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNS(C)(=O)=O 1286722763 SGXNIFHEKPMGLO-UHFFFAOYSA-N 445.549 1.236 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286786059 WDUYNQIINCKGKP-GOSISDBHSA-N 425.537 1.191 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286792817 JAJVTQQYPGTUED-ROUUACIJSA-N 440.548 1.841 30 10 IDEE CCCCNC(=O)[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1294345417 GPQBWGBQOPMBFX-XOMICKMZSA-N 443.552 1.500 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1298453397 VCMRRIRUFJVDNN-UHFFFAOYSA-N 431.547 1.849 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c(OC)c1 1300208245 DTAWFPFJSNLYDC-GDBMZVCRSA-N 433.534 1.984 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F 1300284912 VSMFDZKWTGKQEC-LBPRGKRZSA-N 425.461 1.188 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1300308930 RFOBQZSQDLBDGN-IRXDYDNUSA-N 446.577 1.442 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1300410680 PQDMVYURKKUXEG-GOSISDBHSA-N 436.564 1.923 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ncn(-c2ccccc2)n1 1300544902 HUFNDJXPKNHHBP-UHFFFAOYSA-N 425.500 1.842 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(C)nn(C)c2C)CC1 1300685069 FRCVIQAADMBDOH-QFIPXVFZSA-N 427.553 1.084 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1300709786 GFLIDDLOGLHWJL-UHFFFAOYSA-N 447.561 1.052 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1c(O)nc2ccccc21 1301412463 BQMQJQHQLWSIGQ-UHFFFAOYSA-N 439.520 1.908 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301438278 BIILPBMYRNZZIJ-VXKWHMMOSA-N 440.504 1.635 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1301449338 GYHCAIQXNHPQFC-QFIPXVFZSA-N 436.520 1.654 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301501533 YXRPZAONKDMDIB-OAQYLSRUSA-N 449.559 1.668 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1301575482 HEKLWVCTSGVWQI-KRWDZBQOSA-N 447.561 1.517 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC(C)CC1 1302311508 LTPMYYCVNDPNEE-WCIQWLHISA-N 432.569 1.851 30 10 IDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 1303025701 FXGCFFKYAHFIDA-UHFFFAOYSA-N 441.347 1.880 30 10 IDEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c(C#N)n1 1306926339 YOTFMOKSOVBHHO-UHFFFAOYSA-N 440.403 1.668 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)N3CCN(c4ncccc4C#N)CC3)[C@@H]2C1 1313251817 QLZUQHPIEYVZKA-ROUUACIJSA-N 426.521 1.898 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1313993406 GPPCENKSXBSXIU-QFIPXVFZSA-N 436.520 1.147 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)CC1 1314544715 CVYDISGPKKHEFV-INIZCTEOSA-N 445.593 1.675 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC1 1314628196 GYQIWCQKLRNBRN-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C[C@H](C)O1 1315935862 LYAFFFXBSAJQRZ-VDGAXYAQSA-N 427.505 1.862 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1358904205 YVBJWKLQQRUQAB-INIZCTEOSA-N 430.534 1.742 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1358958727 UVRNRGRNKWUNNT-QGZVFWFLSA-N 445.545 1.107 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1358994321 KGKAKGKKHMKLFY-OZIGNCPNSA-N 430.574 1.584 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C(N)=O)nc1 1359025149 FBICGMVNRKEAEL-UHFFFAOYSA-N 440.454 1.775 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccc(F)cc2)CC1 1359037973 FWCRAWJKXKSJCE-UHFFFAOYSA-N 440.523 1.764 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359089291 GENOXUCGNZVTLR-QSNWEANLSA-N 433.553 1.782 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CCOC)C1 1359300367 AHEVVNBAKNLCOE-LPHOPBHVSA-N 427.505 1.956 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359301253 VOTXLWXKKYULKO-HNNXBMFYSA-N 432.475 1.689 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359304901 NBPGCIOIJCJKOL-KRWDZBQOSA-N 439.495 1.475 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1359310137 NMJHKWHIYGZYED-KRWDZBQOSA-N 447.561 1.366 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccn2)CC1 1359330124 HZYKRGRRQQVYDY-UHFFFAOYSA-N 440.533 1.058 30 10 IDEE C#C[C@@H]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1452472734 BPFGFUQUOBKKKC-CQSZACIVSA-N 441.347 1.955 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 1455514023 XLPMEUIFFUGMLZ-JOCHJYFZSA-N 446.525 1.339 30 10 IDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)n[nH]1 1456385883 ZXLYRHOGJLJELM-SECBINFHSA-N 430.412 1.520 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3=O)C2=O)cc1 1460925527 VZLXBPIOJRGECS-OALUTQOASA-N 449.442 1.824 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1463091442 YEYMMKFWENTCRI-NRFANRHFSA-N 427.457 1.327 30 10 IDEE C=CCc1cc(CNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)cc(OC)c1OC 1468360798 AAEUERQCWWCCFP-UHFFFAOYSA-N 428.493 1.669 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(I)c(F)cc2F)c(=O)nc1O 1470360258 FCWIHAWUPJKMCC-UHFFFAOYSA-N 446.151 1.133 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1471144012 JLINEURFJDCTGT-FQEVSTJZSA-N 433.578 1.719 30 10 IDEE N#Cc1ccc(C2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)nc1 1473672642 NZFRZNBHPNAEDY-UHFFFAOYSA-N 425.514 1.369 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC2(C#N)CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1478910844 AWRUIUPKOFEQDJ-CABCVRRESA-N 426.539 1.498 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3CCOC(C)C)CC2)c1C#N 1492727680 CWXVYOTVMAJHQA-SFHVURJKSA-N 442.568 1.837 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1507589609 XXBJBGWOHFAVRM-ROUUACIJSA-N 449.621 1.972 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507622011 DWIRAPXTXDAMKP-QGZVFWFLSA-N 437.610 1.313 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1507643836 ZNACNPNUTZNJNX-MRXNPFEDSA-N 443.529 1.171 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOC(C)(C)C)CC1 1507720458 HBFYDTAAINPJJH-UHFFFAOYSA-N 435.536 1.491 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCOC2)CC1 1507734805 YRHVOHWCXPKWRT-JOCHJYFZSA-N 443.935 1.716 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC#C)CC#C 1507748636 PZPNWUFHAHFLRM-UHFFFAOYSA-N 441.582 1.635 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CN2CCOCC2)C1 1507759733 NLKCZNFEZNJSGR-AABGKKOBSA-N 449.621 1.527 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1507789528 DIOBUMHJFSSLSI-AWEZNQCLSA-N 437.342 1.510 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1507792076 WHJVQDJIAUVSHE-MSOLQXFVSA-N 446.552 1.774 30 10 IDEE C=CCCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507938509 DTYXDYBRLKSDTO-GOSISDBHSA-N 438.532 1.403 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508072347 JGIJIZHGNMPOKX-YOEHRIQHSA-N 430.465 1.396 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1508085869 IBWKODOJRQLAOM-IBGZPJMESA-N 438.580 1.167 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC)C1 1508106081 UNSKYLLNNWKAPT-QZTJIDSGSA-N 427.505 1.694 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1508152791 REIZQAGFMRSYGS-KBPBESRZSA-N 431.584 1.197 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1508400276 JDXMYGFYCOULGL-UHFFFAOYSA-N 439.520 1.347 30 10 IDEE CC(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1508877006 HOPUJOUFYMLZTJ-DNVCBOLYSA-N 440.545 1.489 30 10 IDEE Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1510788640 BBGVLFHETOTKJF-KUOYXJDGSA-N 426.477 1.987 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1515777771 YURGLDSHYUQBSV-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(-c3cccnc3)nc2C)c1 1518824246 BWTFZRYXDAFPCW-UHFFFAOYSA-N 430.468 1.458 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1519402424 WDRHDUCONRGEJJ-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE CC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)nn1 1534268296 HAKZEHBROVUSJK-RELWKKBWSA-N 432.506 1.712 30 10 IDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)C1 1539049557 PEFSOZSEVLKPJY-UHFFFAOYSA-N 429.550 1.286 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)(F)F)cc1 1539147536 BLQAFONQROKRDL-LBPRGKRZSA-N 431.440 1.905 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)CCCN2C)[C@@H]1CCS(=O)(=O)C1 1539218919 FXCKVFWBDJRVIM-LJQANCHMSA-N 427.574 1.898 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1539219844 FYFBQYFBXDCRMO-SJORKVTESA-N 449.602 1.920 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539230182 CGTPCJQCKLSYRV-YQVWRLOYSA-N 447.561 1.652 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cn[nH]c1 1539346645 HLZOAQSCUABJSW-UHFFFAOYSA-N 426.550 1.972 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CC 1539409023 LTUDGRWHJPBGJX-HXUWFJFHSA-N 434.566 1.485 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)C(C)(C)C 1539420191 DOGRSBMXZGHVDK-UHFFFAOYSA-N 437.548 1.765 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)[C@H](C)CC)CC1 1539459788 NQWSLZVIFIQFJU-VGSWGCGISA-N 444.605 1.822 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539512580 DBPUNUAWDCLEPL-YCRPNKLZSA-N 446.577 1.353 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1539573529 AIWVAYVUMPCNFY-LBPRGKRZSA-N 440.302 1.594 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539714374 FMHPLTWZPBQZPI-GOSISDBHSA-N 429.569 1.110 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1540170234 LPGHHWRHYFPVAQ-GOSISDBHSA-N 432.550 1.427 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1540865686 OVAKMCCVQXTDRO-SFHVURJKSA-N 428.537 1.697 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540872982 IKVZJXDZSOZJGZ-HNNXBMFYSA-N 437.470 1.639 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)N(C)C)C1 1540887146 QRZFLBDFSHBKLV-GOSISDBHSA-N 435.550 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(C)C1 1540897542 LQFKVPRXBDJDMT-OAHLLOKOSA-N 431.584 1.036 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540902082 ABKQIYLPHSILNI-DLBZAZTESA-N 437.566 1.322 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1544784795 IHMQLTKFZZNCCI-MSOLQXFVSA-N 436.530 1.708 30 10 IDEE CCc1nnc(N2CC[C@H](CN3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546474012 QWCTVIPWRIZRKF-QBEKEKFNSA-N 427.553 1.679 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O)[C@H]1CCSC1 1552924998 ZWKUGFCBKIGRRQ-KRWDZBQOSA-N 435.575 1.820 30 10 IDEE CN(Cc1ccco1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554179364 AMZAWURFLGAJQX-MEUCICPISA-N 426.477 1.928 30 10 IDEE C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1555952413 OICBLWAGSZTIJO-WBVHZDCISA-N 427.509 1.906 30 10 IDEE C=CCn1cc2ccc(NC(=O)CNS(=O)(=O)c3ccc(CNC(C)=O)s3)cc2n1 1558514047 UASUYBZXNJREAO-UHFFFAOYSA-N 447.542 1.837 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)OC2=O 1565378346 MJYRCINQRYZLDH-YWZLYKJASA-N 436.509 1.643 30 10 IDEE C[C@H](CCN1CCN(C)CC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1567821754 WJVHQQICEJCPTI-SUYXUUSGSA-N 433.597 1.915 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1587662142 LHOLLAYBMVTZPL-RCCFBDPRSA-N 448.593 1.063 30 10 IDEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1587745997 GFAPBOZOBNVOAY-UHFFFAOYSA-N 436.560 1.729 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1587755061 SABFUWMEAUNQAH-UHFFFAOYSA-N 436.564 1.673 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](COC)C1 1587856642 ONWUVRSFDAPYNY-LJQANCHMSA-N 425.537 1.717 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588053916 IVPWMJHVMXUCDN-BZUAXINKSA-N 435.575 1.669 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1595737656 FWKGJXGTXLRVJH-GOSISDBHSA-N 431.562 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595797845 JSSWQJVHROXZBJ-UONOGXRCSA-N 438.472 1.888 30 10 IDEE CCOc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1596732916 KROXSIAMXINWIO-UHFFFAOYSA-N 428.514 1.584 30 10 IDEE NC(=O)C[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620365448 BJDPAGWTJAXIBK-RLBWVDARSA-N 441.536 1.554 30 10 IDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1620501373 CJSWIBADHGKIRX-PKOBYXMFSA-N 425.620 1.846 30 10 IDEE COC(=O)c1oc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 1623953290 IPDWRKYACTXMNE-UHFFFAOYSA-N 445.497 1.963 30 10 IDEE CC(=O)N[C@@](C)(C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)c1ccc(S(C)(=O)=O)cc1 1624816647 JLNFIDXVINKFKO-DENIHFKCSA-N 425.510 1.597 30 10 IDEE C=CCN1CCC(NC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1627255202 GNJRJRYBQHWWAK-PZJWPPBQSA-N 435.590 1.701 30 10 IDEE COCCOCCN1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1628148469 RJUPBRAMBFWXLV-UHFFFAOYSA-N 426.311 1.507 30 10 IDEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@H]2CCN(O)C2=O)C[C@@H](C)O1 1628370035 IRNHPRDTHZBUQH-ZENOOKHLSA-N 431.518 1.442 30 10 IDEE C=CC1(CC(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)CN(C(=O)OC(C)(C)C)C1 1629140454 BLETVBBZFPDWMD-QGZVFWFLSA-N 438.569 1.095 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21)c1cc[nH]n1 1632876333 HZLVHRDWTQDSNE-RRQGHBQHSA-N 447.289 1.911 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCC[C@@]3(O)C(=O)Nc4ccccc43)ccc2c1=O 1633501623 VAQDMISLGQYBIL-QFIPXVFZSA-N 436.493 1.831 30 10 IDEE CC1(C)OB(c2ccc3cc(NC(=O)c4cnn(C[C@H](O)CO)c4)ccc3c2)OC1(C)C 1637074497 LKQDUJYBYGLSRA-FQEVSTJZSA-N 437.305 1.941 30 10 IDEE C=CC[C@]1(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)CCCN1C(=O)OC(C)(C)C 1637641189 BVSPUQSNHKDRTR-RZQQEMMASA-N 428.551 1.747 30 10 IDEE C#CCN(C(=O)c1nnn(-c2cnn(C)c2)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1638330917 FTOMYPHLWDYUNW-UHFFFAOYSA-N 427.509 1.784 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CCO2 1640272860 BFXPADKZOBWYPK-CDHQVMDDSA-N 437.518 1.044 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1nc(C#N)cs1 1647980472 ZLGZVXCZYQNWRL-AWEZNQCLSA-N 440.934 1.518 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1657638020 UNHBQPXVKOXHCA-ZACQAIPSSA-N 439.559 1.867 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1674888667 WRSNDCRDXHJUPI-AWEZNQCLSA-N 437.547 1.136 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1F 1683174791 DADZTTFDGWIGMH-UHFFFAOYSA-N 431.493 1.559 30 10 IDEE N#C[C@]12CN(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1685901702 WGBCORGMIJZTCS-ZJNRKIDTSA-N 426.901 1.638 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1689945493 FHFXFOFRMBALDN-KRWDZBQOSA-N 430.578 1.602 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690018065 SQZNFVVTOQJMAT-DLBZAZTESA-N 425.455 1.508 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NCC 1690064048 YMXMRVOBMPHNMY-UHFFFAOYSA-N 431.562 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(CC)C2CC2)CC1 1690146638 SNVQGLDXJMVFIH-LJQANCHMSA-N 428.581 1.622 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690517303 ARIMADMCGXZPHY-LBPRGKRZSA-N 443.371 1.939 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C2CCOCC2)C1 1690659671 ZOQSVTRRYQUHSN-QGZVFWFLSA-N 432.569 1.752 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)[C@H](C)C1 1690838309 GEAJUNUQDVMHGL-MRXNPFEDSA-N 428.562 1.989 30 10 IDEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCN(C)C1 1692227673 CROITHNJTBEEEL-XMMPIXPASA-N 437.592 1.737 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)C1 1692845266 VBKYQTOWXYSIIJ-QFIPXVFZSA-N 427.553 1.951 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)C1 1695960960 WPYHKSANHTYSIY-VQIMIIECSA-N 444.561 1.761 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)C1CC1 1698152142 IAJSPOWQSYKESB-FPTDNZKUSA-N 442.520 1.698 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C(C)C)N1CCOCC1 1698231268 WKQHOAATHBMHSQ-HAGHYFMRSA-N 434.585 1.955 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccc2F)nnc1N1CCCOCC1 1698520387 JJWNHFOEOVXBBV-MRCUWXFGSA-N 440.479 1.761 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705559544 CHGKHYKSJAKJFI-QGZVFWFLSA-N 449.621 1.851 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1705583266 UCRCAIYQMFJBQY-GOSISDBHSA-N 442.541 1.513 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@@H](C)C1 1705627046 RXMXTEMIBMBAMB-QGZVFWFLSA-N 428.537 1.824 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1705629750 UCQGFSKDGZVRAI-IBGZPJMESA-N 446.573 1.931 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1705811954 OAHUOEMMNIBJAD-OAHLLOKOSA-N 429.612 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939017 PPYLCBJICRQTMP-JTDSTZFVSA-N 430.546 1.714 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1 1706002700 IKAKAUPIFGLQEE-OAQYLSRUSA-N 437.548 1.596 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710915932 OXPNSJDNIBMJCQ-DRKIFQHWSA-N 443.577 1.534 30 10 IDEE COCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)cn1 1712466383 LMXNTNBGMSKBBT-UHFFFAOYSA-N 449.563 1.961 30 10 IDEE COCCOCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1712612340 DQVRGICYFZXNGB-HXUWFJFHSA-N 437.504 1.913 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1722296663 TYERUDYRIRTLEP-OIPCOOBTSA-N 429.546 1.782 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1722296664 TYERUDYRIRTLEP-QVIVTLILSA-N 429.546 1.782 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC(=O)NC2CC2)CC1 1722439129 PPXUCNOBFTWHTP-UHFFFAOYSA-N 442.514 1.961 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722459612 NZCOWRSCGGSZPE-KRWDZBQOSA-N 443.577 1.582 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1722459996 BDIONQCDTZOQBC-INIZCTEOSA-N 443.595 1.288 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1722485155 MGJUBLIQBQUXCN-XJKSGUPXSA-N 447.355 1.085 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722540814 HJJAGOPIGRAHFF-KRWDZBQOSA-N 449.987 1.400 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1726674326 AVZHFPIWXHFQQF-RMYFCYLKSA-N 425.518 1.808 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1727816601 IZXRKLCKJSEONO-KTBSYUBASA-N 444.536 1.702 30 10 IDEE COc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1730309736 FOERIUWZWSQZOG-CRAIPNDOSA-N 448.549 1.264 30 10 IDEE CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1731019107 WFFQKKTTXGCVDN-UHFFFAOYSA-N 443.577 1.368 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOc1ncccc1F 1740609280 NDGIQFBMKDYCOX-UHFFFAOYSA-N 433.447 1.875 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740628839 VCSBWSHBDUOPCO-FQEVSTJZSA-N 445.589 1.551 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1740659979 BPEIBOKESOBYGK-UHFFFAOYSA-N 438.513 1.837 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1740717425 RWNZHZAQSDMZAC-MRXNPFEDSA-N 425.624 1.467 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC=C 1740725458 MEVRYEPZHVFVNB-NHCUHLMSSA-N 436.578 1.912 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N(C)C 1740726664 ITOPORFTCJEJCV-OAQYLSRUSA-N 429.546 1.819 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740850302 GOHQPJMLLOFAQH-MRXNPFEDSA-N 443.552 1.476 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740889574 PLKYHVPJTLWFPN-IAGOWNOFSA-N 441.598 1.612 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1740900153 VEGDRHIUNPHCBI-OHTSDLOESA-N 441.598 1.829 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC 1740938125 ZFGCOIARYZZYMG-UHFFFAOYSA-N 426.477 1.970 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CC=CCC2)C1 1740951933 QOJKMKKFANJOKV-JXFKEZNVSA-N 436.582 1.517 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 1740967144 YBULWTOZEPKQCR-AZUAARDMSA-N 438.532 1.947 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCN(C)C2)C1 1740971939 AMTRSBQBPCKQPS-BVYCBKJFSA-N 435.569 1.167 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc(COC)n2)C1 1740983336 GMFGHBULDAHVKQ-INIZCTEOSA-N 432.550 1.833 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1741003622 YQXYAOKUDXEALF-HOTGVXAUSA-N 429.612 1.767 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741389571 GKFJXJIQUBZUON-NQIIRXRSSA-N 429.546 1.849 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1CN1CC[C@H](O)C1 1741634662 FMRCXHNAPOJUIV-XLIONFOSSA-N 439.564 1.770 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1748886900 PBFWAERDBQNLSX-SFHVURJKSA-N 448.527 1.799 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCC(=O)NC 1749119933 YNKTXQGULZGGNJ-APWZRJJASA-N 441.536 1.869 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749170571 PMIYYKQXGCXXGL-HOTGVXAUSA-N 427.571 1.486 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749257701 XZXVHXUATVBBBD-UHFFFAOYSA-N 432.912 1.870 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CCC)CC1 1749343119 XLVAQKRSGQJENL-FXAWDEMLSA-N 441.598 1.565 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H](C)O1 1749575316 ACVCOPSVXXIKKA-MAUKXSAKSA-N 428.493 1.057 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749730335 AGJFRMWBCBETLM-QGZVFWFLSA-N 434.566 1.175 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3ccccn3)n2CCOCCS(C)(=O)=O)CC1 1751278632 KABXFVAGZTWXBG-UHFFFAOYSA-N 432.550 1.455 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C[C@@H]1O 1752422201 SJSKTMJONFXILV-OPYAIIAOSA-N 440.548 1.657 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1760097016 YYEYMGRBADEXAI-OAHLLOKOSA-N 444.923 1.178 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760140895 CRQMJZSMBNNQQO-GOSISDBHSA-N 438.536 1.416 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760178970 IAQBQHPTHZPJCO-KRWDZBQOSA-N 435.594 1.823 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760180559 HMWYZLIIBQTLIL-ZWKOTPCHSA-N 449.602 1.348 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1760185525 YSAAINGKDDPDFX-MRXNPFEDSA-N 440.529 1.874 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760191549 JKTSNZKOIYZIHB-QGZVFWFLSA-N 433.578 1.608 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1760232591 IUAMMTBDOIXYRV-QHCPKHFHSA-N 433.516 1.613 30 10 IDEE CC(=O)NC1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760649779 HVNFKKWNQFOVIY-VZCXRCSSSA-N 441.536 1.567 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1760655054 BOBHNJCNMZRTTN-FPOVZHCZSA-N 438.532 1.975 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1760692656 BYFAGRNKAIHQOQ-QFBILLFUSA-N 425.537 1.814 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCn1ccnn1 1761465512 DGUGNTCZOIHGCQ-OAHLLOKOSA-N 443.537 1.078 30 10 IDEE C[C@@H]1CCC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762827345 SZEITMYYYDFWRL-XVMYTTIASA-N 441.536 1.771 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1766993722 CEGKABUKRYWEGC-QGZVFWFLSA-N 441.517 1.134 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1770980968 HOFATYKAKWSRPS-UGKGYDQZSA-N 437.504 1.647 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1772564744 BFBLZXSPKGMIFF-WOJBJXKFSA-N 445.589 1.703 30 10 IDEE CN1CCC[C@H](CN(Cc2cn(Cc3ccccc3)nn2)C(=O)c2cnc(C#N)nc2)C1 1853421713 SWUARQNRXXEDCW-IBGZPJMESA-N 430.516 1.972 30 10 IDEE COc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 1853585942 KQFCYTOYZSSLQL-UHFFFAOYSA-N 440.500 1.795 30 10 IDEE CC[C@H](C)CC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854321753 PTJRAHVQMRWZTJ-FUHWJXTLSA-N 432.546 1.428 30 10 IDEE C[C@@H]1C(=O)N(C(=O)CN2CCC(F)(F)CC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854637942 CBOOZILASYCCKV-CQSZACIVSA-N 440.472 1.037 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(F)cc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644038 CTUOILUMBWQGSO-CYBMUJFWSA-N 433.436 1.827 30 10 IDEE COc1ccc(OC)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCNC(C)=O)C2=O)c1 1863376172 LWPXDZYGXSFNPD-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865730643 DPQZNJROLFLJJM-MRXNPFEDSA-N 440.500 1.212 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cccc(NC(C)=O)c2)c(OC)c1 1870098425 CXUCEJACMYUZEX-UHFFFAOYSA-N 442.457 1.915 30 10 IDEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593974 ZFKBCZAAEODKFU-UHFFFAOYSA-N 427.553 1.357 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@H]1c1ccc(C#N)cc1 1889325793 COCVIEJEUNITFX-HBGVWJBISA-N 426.542 1.831 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624934 DRAMADJRMSBNOT-YOEHRIQHSA-N 434.342 1.876 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2 2216030920 MGRRNWLRDVHYDG-WFASDCNBSA-N 425.345 1.840 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247777887 UFCOYDPSWPIMBX-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248404283 LPDAXPLSSBYNPS-IUODEOHRSA-N 440.371 1.938 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545225 MMZFPIHPXIEVSC-UONOGXRCSA-N 434.346 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2255649087 HIMQSVYXZOEOOK-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2255695992 NPXHLXQYMSBQRW-STQMWFEESA-N 430.314 1.371 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255835733 YBOKOGFLZKGHJK-QGZVFWFLSA-N 429.326 1.369 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)n1 2267184640 WLFFJAVHUJSSEM-GOSISDBHSA-N 440.353 1.350 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267270069 JEMUQVOCOUMADV-UHFFFAOYSA-N 447.341 1.529 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CCC1 2267278346 BGUGFSTVHDFNSC-CQSZACIVSA-N 449.361 1.538 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)n1 2267535981 FHBPPYVATQFOEW-UHFFFAOYSA-N 439.369 1.756 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C#N)C1 2267587134 TYYIAYAATGOOQB-INIZCTEOSA-N 442.325 1.966 30 10 IDEE CC1(C)OB(c2sncc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2300334257 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N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 546092544 RHTYCRZURKUEGH-UHFFFAOYSA-N 427.548 1.211 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 549218838 FYKQJBVSQBKGAS-IBGZPJMESA-N 429.496 1.973 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 572440656 GVONAMQMPUEDTJ-UHFFFAOYSA-N 442.516 1.773 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 588152132 HFOIFHIFVPBHHK-GDBMZVCRSA-N 440.521 1.936 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCN1CCOCC1 588152571 ZOOPXVAZSLNGAQ-CQSZACIVSA-N 446.598 1.125 30 10 IDEE CN1CCC2(CC1)CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 590375851 ODBJEKAGOVGKKK-UHFFFAOYSA-N 430.574 1.903 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC(CN3CCOCC3)C2)CC1 590392426 VHMLDRYKRQACSI-UHFFFAOYSA-N 425.489 1.813 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@@H]1CCCO1 590914089 VZHRORBSSXXZOF-WMZOPIPTSA-N 441.553 1.051 30 10 IDEE COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 619209510 HCXHIJPMXKJPJV-UHFFFAOYSA-N 444.469 1.037 30 10 IDEE C#CCN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)[C@@H]1CCS(=O)(=O)C1 729332678 UPKDKMJWUBUNDI-LJQANCHMSA-N 435.505 1.957 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C(C3CC3)C3CC3)c2=O)cn1 735068943 MVBYOCYBRUNYJO-UHFFFAOYSA-N 439.585 1.905 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 741389502 HYRQYGFGJFWCSJ-WFOVFMPGSA-N 438.506 1.295 30 10 IDEE C[C@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)Nc1sc2c(c1C#N)CCC2 744772357 HEPFEXAXUKQVSS-FZMZJTMJSA-N 425.532 1.793 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 748414271 KQQPECXBLQXPAL-UHFFFAOYSA-N 443.481 1.683 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(OCC)cc2)C1 760303397 BXFOMVWYDXQBSY-NVXWUHKLSA-N 447.561 1.957 30 10 IDEE C#CCN(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)[C@H]1CCS(=O)(=O)C1 774050941 BPCSTTIVVNQQSO-AWEZNQCLSA-N 434.909 1.847 30 10 IDEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccccn2)c1)[C@@H]1CCS(=O)(=O)C1 774178678 LVSJDSMSCTZLSM-GOSISDBHSA-N 426.498 1.666 30 10 IDEE C[C@@H](C(=O)NS(=O)(=O)c1cccc(F)c1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 781597477 KIPOMERNSXTZLU-GFCCVEGCSA-N 439.490 1.556 30 10 IDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(CC(F)(F)F)CC1 792446177 XPRKKKYVQRAXHW-LBPRGKRZSA-N 432.468 1.504 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@]2(CCCOC2)C1 804132903 ZIYUBWCYXHFJPU-UWJYYQICSA-N 435.546 1.548 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 805035552 KFAHEAOLIQBHKS-LJQANCHMSA-N 428.533 2.000 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C 812276748 MUXCZNGHJXZZFH-UHFFFAOYSA-N 430.436 1.512 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1)c1cc[nH]n1 858082084 YISHPNSCSFEZTJ-INIZCTEOSA-N 427.461 1.646 30 10 IDEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 916775186 JOOSYSSRLRWYNS-QKKBWIMNSA-N 446.529 1.641 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccnc1N(C)C 918569749 HTUASNUWIXZPAH-KRWDZBQOSA-N 429.546 1.917 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 919318057 BHUXGOCQEIDSPM-HNNXBMFYSA-N 432.420 1.817 30 10 IDEE O=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2)c(S(=O)(=O)N2CCN(CCO)CC2)c1 1084104286 GGMVPYQFLWSCNH-UHFFFAOYSA-N 449.489 1.045 30 10 IDEE C#C[C@H]1CCCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1134718211 FNSUELZZGMLUEB-KRWDZBQOSA-N 444.557 1.541 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 1146248349 YPRDLAAWJLPXJB-UHFFFAOYSA-N 437.337 1.575 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCC[C@@H](n3nncc3I)C2)cc1 1153135862 MGSKOGZQPYLHAZ-CYBMUJFWSA-N 437.241 1.997 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NOc3cccc(C#N)c3)ccc2F)CC1 1171256563 XRCDOGCPEPFPPP-UHFFFAOYSA-N 446.460 1.274 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)CC1 1195043079 WIHQTOOXIUDCIK-UHFFFAOYSA-N 433.299 1.751 30 10 IDEE C#CCCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286336494 YMPRKRZEGANZEZ-NFBKMPQASA-N 431.581 1.892 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nnc2n1CCC2)[C@@H]1CCS(=O)(=O)C1 1286393189 KSMXQPNCNIUOFY-OAHLLOKOSA-N 431.566 1.079 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1286398273 WWMCTXFSNMXNSN-CYBMUJFWSA-N 440.476 1.217 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1OC 1286433025 HSYWZANRBUYUFU-PXNSSMCTSA-N 440.548 1.818 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286442503 BTVBQLSOYSYZAF-UHFFFAOYSA-N 425.518 1.493 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@H]1C 1286466112 CQOYXKZEARFBGE-QGZVFWFLSA-N 433.503 1.954 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC)N2CCCC2)CC1 1286469552 ITKJXEXBKMBSTL-LJQANCHMSA-N 436.564 1.555 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1286496526 SVPVSVDMTXFLPV-MRXNPFEDSA-N 448.618 1.711 30 10 IDEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)(=O)CC1 1286500496 VEBHGXPWSAJFNR-UHFFFAOYSA-N 442.570 1.936 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286633315 QIKSGBLZTINOIR-SFHVURJKSA-N 436.004 1.758 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCS(=O)(=O)C2)C1 1286813719 AIFMEGCIANLEBQ-XDNAFOTISA-N 440.566 1.218 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286821338 HWIPSFWGDSFCOF-GOSISDBHSA-N 436.582 1.872 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C1 1286858225 FICWVXIHOVNUOH-WBVHZDCISA-N 429.912 1.981 30 10 IDEE CCS(=O)(=O)N1CCC(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1295872268 VRNBGZACBLGWNF-UHFFFAOYSA-N 436.383 1.838 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1300357054 HXWWJJGWZQLEAB-FQEVSTJZSA-N 438.580 1.830 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1301086947 PYLNQBJGDXUWEZ-KURKYZTESA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 1301478731 PBDFASOBEJARPB-CRAIPNDOSA-N 444.511 1.824 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1302055800 WQAYCRLUNLVPST-YCRPNKLZSA-N 427.509 1.674 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1302989690 REMKCUROUBEGRC-VZCXRCSSSA-N 433.472 1.570 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)s1 1303719696 KUZMKXKJCLFTLG-GOSISDBHSA-N 427.548 1.492 30 10 IDEE C[C@H](CC(=O)N[C@H]1C[C@@](CO)(c2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1303961530 KZJKCUMFBNQQGA-JLDZCNIISA-N 427.526 1.713 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1304696251 XNQPWFGIEMVWOX-AWEZNQCLSA-N 428.246 1.125 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCOC1 1314080035 AZPNZVOXOPSUHC-NRFANRHFSA-N 447.561 1.873 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358900788 RXCCRRWPXGQQND-BSDSXHPESA-N 437.610 1.936 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358955918 WFJGSGFDLAECKM-ROUUACIJSA-N 437.610 1.171 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1358994907 YVAPHUPTNTXDIL-SFHVURJKSA-N 442.541 1.731 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCC(O)CC2)CC1 1359046862 IVESHQJTEXSLKL-UHFFFAOYSA-N 428.581 1.043 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1359198387 PLDNHVCEQTUMDC-CQSZACIVSA-N 433.600 1.258 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C)C1=O 1359257138 AGXHAYRSBJGZSE-HRAATJIYSA-N 446.577 1.559 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359297634 WPSJOQKSAIPBMR-KSFYIVLOSA-N 427.505 1.640 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)C1 1359321175 BNAWQAQYKOKMNF-OALUTQOASA-N 447.561 1.441 30 10 IDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1438152413 IRMSWAFCMPTOKJ-AWEZNQCLSA-N 443.909 1.803 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC)CC1 1455115292 NNQDXYVKKWFLNZ-UHFFFAOYSA-N 426.520 1.322 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1cc[nH]n1 1464073248 YORJGUBYRWPXPW-CYBMUJFWSA-N 427.461 1.919 30 10 IDEE N#Cc1cn(CCC(=O)NCc2ccc(OCCOc3ccccc3)nc2)c(=O)nc1O 1464291668 DLXWUHWCWRVDGK-UHFFFAOYSA-N 435.440 1.380 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)CC1 1465078905 XGHSSMADIMTHDS-UHFFFAOYSA-N 442.541 1.903 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)CCS2(=O)=O 1472275300 JYBWKRQEXRIRQJ-FVRSWCFKSA-N 426.441 1.665 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 1476934485 PBRYRERIAHIHJX-UHFFFAOYSA-N 425.507 1.420 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C2CCCCC2)n1 1492753521 AMZATIBXEWKITE-LJQANCHMSA-N 440.552 1.660 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1503228596 OYRMROZDNDZGOH-SIKLNZKXSA-N 427.505 1.600 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N(C)C)cc1OC 1504154926 FURHTIATWCZDFP-AWEZNQCLSA-N 436.538 1.592 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)cc1Br 1504203414 QGDXISHIEGIIAY-CYBMUJFWSA-N 434.294 1.970 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1504885381 YUEINTFWBQHIDL-HNNXBMFYSA-N 440.508 1.207 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2CCOCCCO)cc1 1505319650 GGHDIZMWTBRGSZ-JOCHJYFZSA-N 443.504 1.123 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(C)=O 1507701928 PNMQMDPKKZEERZ-GOSISDBHSA-N 447.536 1.485 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCN1CCCS1(=O)=O 1507712250 UFWGXULOQUXCDC-UHFFFAOYSA-N 435.525 1.130 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1508040350 WPOSIBBUEOLECZ-IRXDYDNUSA-N 432.546 1.995 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1508080962 HJGBDTADIYERQM-UHFFFAOYSA-N 433.516 1.548 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1508259002 ILVLSVSWVZYZNN-HXUWFJFHSA-N 440.504 1.203 30 10 IDEE COC(=O)c1ccn(CCCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 1516203313 JOGJULZCCWBGCR-NKFKGCMQSA-N 447.517 1.901 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ncc(F)cn4)CC3)CC2=O)cc1Cl 1522051046 GDXCRZHLANHBKW-CQSZACIVSA-N 428.855 1.842 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 1531181961 PWYLJIOXSDFTEU-QFIPXVFZSA-N 429.473 1.266 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539225891 RXRPCVZDODTFEN-IBGZPJMESA-N 431.562 1.706 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCn2cc(CO)nn2)CC1 1539440795 AYSHKWMREVWJAS-UHFFFAOYSA-N 440.939 1.528 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)CC1 1539507246 VABWTBRWHIGWDY-UHFFFAOYSA-N 443.529 1.971 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1539580124 UFFUZINQWBYNSW-CQSZACIVSA-N 429.363 1.158 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCC(F)F)CC1 1539840031 KGJWRNBYIYOMHW-UHFFFAOYSA-N 429.435 1.459 30 10 IDEE C=CCN(c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1540108952 UORRVRDLDIUIMW-OAHLLOKOSA-N 427.596 1.315 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540872914 FOMSAPOFXXFFTP-YJBOKZPZSA-N 445.593 1.093 30 10 IDEE COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c(=O)cc1C 1543121524 IJRLBQCLLLGOQS-BSYVCWPDSA-N 446.529 1.868 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC 1546587029 BWSLAFWWRZMJCO-QGZVFWFLSA-N 439.520 1.216 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1547250155 ABLMRDAGPAPOSW-HDICACEKSA-N 439.564 1.888 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1555801446 SYACLKPPBVLJNJ-GOSISDBHSA-N 433.534 1.515 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1556132434 KSRRMNCYFYHAAA-RHSMWYFYSA-N 436.534 1.734 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1561866566 MTYLNXXODGYDKQ-MOPGFXCFSA-N 436.530 1.202 30 10 IDEE C#CC[C@H](CCOC)NC(=O)c1cc(I)ccc1-n1cnnn1 1587383744 VINWJNQKCWVYFG-GFCCVEGCSA-N 425.230 1.425 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NCC)CC1 1587755329 YTWPRBNAEOZDNP-UHFFFAOYSA-N 441.536 1.067 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1587855815 BSASUBBOOCTWRB-ZDUSSCGKSA-N 446.558 1.940 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1587990601 ZDDYKOVBKCICHI-INIZCTEOSA-N 425.555 1.030 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1588983788 BVCCWOXCGDFYFW-HNNXBMFYSA-N 427.596 1.262 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1589151235 VLYVXJTYVGGMAH-GPMSIDNRSA-N 437.566 1.424 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589547242 TUTGEQZWVXXQJR-AOIWGVFYSA-N 425.599 1.976 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1593690639 MPVNLBVBIJVJPK-UHFFFAOYSA-N 431.541 1.628 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1595134178 UOIQJTQLRJTTGH-MRXNPFEDSA-N 445.524 1.689 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595877862 BWYUONGNEZKIAL-WMZOPIPTSA-N 434.610 1.838 30 10 IDEE CCS(=O)(=O)N1CCC(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1598235130 PDONPXGKMGKWMO-UHFFFAOYSA-N 427.567 1.567 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1611331038 HBJIMYVCYPDGFS-MRXNPFEDSA-N 425.537 1.628 30 10 IDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)cnn1C 1611878392 CEKMDFIPXQCDBI-UHFFFAOYSA-N 439.545 1.920 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1)C1CCOCC1 1624610370 UFHUNKNWTRDBOO-BEFAXECRSA-N 431.489 1.544 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(Cl)cccc2Br)CC1 1632966696 VSSMSWRKPDNHMU-UHFFFAOYSA-N 434.743 1.257 30 10 IDEE C=C(CCN(C)C)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1634069588 YRDPURNUOSGDAX-UHFFFAOYSA-N 425.551 1.481 30 10 IDEE C#CCN1CCN(C(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1635017693 ZBVPANAODSZUGU-IBGZPJMESA-N 426.517 1.856 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H](O)CN1CCCC1=O 1635997919 OKZHIYYQJGZMIU-YLJYHZDGSA-N 442.516 1.492 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)C#Cc3ccc4c(c3)OCO4)C2)nn1 1636656414 GNCWCRUCAOKVMB-UHFFFAOYSA-N 425.445 1.467 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 1639270460 XDWNKRDGTVMIOK-GCJKJVERSA-N 439.516 1.211 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1 1641311796 AGPZHFSTARTPRQ-UHFFFAOYSA-N 426.429 1.765 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1644587449 LQVMNNMVCCIVNU-QZTJIDSGSA-N 437.905 1.043 30 10 IDEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1645269956 KLZJZXKHJXAULG-DJJJIMSYSA-N 437.522 1.096 30 10 IDEE COCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1649686525 XGPRQQBPXIYZPP-MUKKYZEKSA-N 446.552 1.806 30 10 IDEE C#CCN(C[C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1658460964 MEMRDXXCTQHZIY-PKOBYXMFSA-N 438.594 1.534 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)n1 1663733863 DJAVQZNQNCXZOY-UHFFFAOYSA-N 426.539 1.161 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)ccc2OC)CC1 1668251456 UDXJVZSWSBCCHS-UHFFFAOYSA-N 431.312 1.075 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2(C(F)(F)F)CCC(F)(F)CC2)CC1 1675388078 YREISOHVNFULCT-UHFFFAOYSA-N 432.415 1.292 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)nn1 1682167224 ZRQZEWDNIILRCF-UHFFFAOYSA-N 433.310 1.894 30 10 IDEE C#CCCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1689940696 AQRZNWKOQYQVTO-URXFXBBRSA-N 444.624 1.948 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1689985801 BUEVQPIPKJKAPK-QGZVFWFLSA-N 449.552 1.289 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1689992837 PLNOKWOATAWBPL-SJLPKXTDSA-N 431.587 1.644 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCN1CCCS1(=O)=O 1690035893 NLLJCFNRGJTQIQ-UHFFFAOYSA-N 427.530 1.452 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690073634 BGABKGQQOVBDLK-IBGZPJMESA-N 435.532 1.038 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)C 1690088460 LZPLDLDBKZCJLI-QFIPXVFZSA-N 429.496 1.797 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690209490 ZTTMDXHSXWIWAI-GHTZIAJQSA-N 428.562 1.538 30 10 IDEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1690509844 KYZYOLBKMSWPQH-UHFFFAOYSA-N 433.578 1.852 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCC=C)C1 1690672343 PBEIHSUFRVDMJY-QFBILLFUSA-N 425.489 1.874 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690672576 WMFRBVHCYUHJAN-HXUWFJFHSA-N 447.628 1.010 30 10 IDEE CC(=O)NCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1690984537 XJJLFDKVWNKXAW-KNQAVFIVSA-N 445.568 1.021 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1694457739 WUFXWJLVSVXEAS-YKNSSVCLSA-N 437.504 1.872 30 10 IDEE CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1695827568 MOJHJZMKBNYADF-GAVQXBFOSA-N 427.553 1.991 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)c(OC)c1 1697361880 UMMBSANDOLMKPJ-LEWJYISDSA-N 428.468 1.883 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CCCO)CC1 1698494198 HNDPRWIDRIHTCS-IBGZPJMESA-N 429.569 1.377 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NC(C)C)CC1 1705634415 UYXIRXXUTPORHU-UHFFFAOYSA-N 432.475 1.826 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705702312 GSYAOAIROQHFEV-MLYOOKFZSA-N 427.505 1.682 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1705866101 HNZTYQXSIKZSGT-MRXNPFEDSA-N 449.602 1.961 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1706072339 GEKGWIODGTZLIG-HNNXBMFYSA-N 435.579 1.315 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1706669063 INBKZXRLXWTNLD-HRAATJIYSA-N 445.524 1.047 30 10 IDEE C[C@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1708039932 AMBKOFWDDZWNFT-KKSFZXQISA-N 429.546 1.849 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1709840202 JBRDSUINFJWXHD-PXNSSMCTSA-N 437.548 1.500 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1711595298 BSZTWJDFGQXPCF-AQMPTVPWSA-N 437.504 1.872 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1)C1CC1 1712698312 HOEOATPNWPLOIE-LJQANCHMSA-N 445.545 1.636 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722318540 FEJJLVGKOICSOQ-MSOLQXFVSA-N 428.537 1.742 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnccn2)CC1 1722337523 CQKKBKTZIDWZNG-UHFFFAOYSA-N 436.545 1.800 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1722359300 LDOGODXZCRTPDI-SFHVURJKSA-N 447.517 1.907 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1722361772 PFLWOSQMHQEATN-GOSISDBHSA-N 441.561 1.575 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnc2n1CCC2 1722371313 VERQCZUFABCGRV-UHFFFAOYSA-N 428.500 1.806 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCC(=O)N(C)C)CC1 1722441022 IHEHACXYPNQPRI-UHFFFAOYSA-N 440.548 1.489 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1722449965 WNBZTRLHCOMLRP-NRFANRHFSA-N 446.577 1.529 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722452019 APEANGOYKKKKIQ-IIBYNOLFSA-N 442.545 1.676 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722537642 QBMJJZIPCBYZJX-SFHVURJKSA-N 443.552 1.808 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722731868 NCCRJTJJBZNWFW-QGZVFWFLSA-N 447.561 1.653 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1 1724017116 BYAOTIDMSNPJEO-MRXNPFEDSA-N 436.520 1.970 30 10 IDEE C[C@@H]1COCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1726738950 BLQMNJCGSNBMRF-YYIAUSFCSA-N 440.570 1.022 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1730418950 JXPVAFPNCKYOSO-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE COCCCN(C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1730691103 OIOUVUFMMZNYFB-IBGZPJMESA-N 438.536 1.214 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1740548957 CNHSJDRDRPMTBA-FXAWDEMLSA-N 438.557 1.931 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(=O)COC)CC1 1740587042 WGTIIACTCFDARC-UHFFFAOYSA-N 439.516 1.861 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O 1740666662 YZEYXMNOBMHPLJ-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cnn(C)n2)CC1 1740701172 WZZOIUALSDERQV-WOJBJXKFSA-N 440.596 1.713 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740716470 YOJOQRSYRCFEHS-KRWDZBQOSA-N 427.578 1.791 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740960417 RCGMYCNHIYXANW-JKSUJKDBSA-N 430.484 1.666 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(C)(=O)=O)C1 1740978412 URVBRNGLIRTXIG-INIZCTEOSA-N 449.533 1.394 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740990245 NJCKDGUTXVCMBJ-LJQANCHMSA-N 446.577 1.242 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1740993356 YNCRKRRLHPIZDA-KRWDZBQOSA-N 435.937 1.852 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1740997532 WDJNZHVDQLAPRL-FQEVSTJZSA-N 449.602 1.970 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1741713991 NUQIUYCBPZAANK-QEEYODRMSA-N 433.513 1.045 30 10 IDEE Cc1cccc(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1742143428 USGWTJHBFPFSBY-BSBNDGSWSA-N 435.488 1.832 30 10 IDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c(=O)n1C 1742236336 VDMGKYRREJGSOD-IERDGZPVSA-N 448.527 1.991 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 1744988200 CQRDHLAQHMTAJO-WBAXXEDZSA-N 437.504 1.809 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C(C)=O)CC1 1748773968 NNONPZVCFIQLQX-UHFFFAOYSA-N 448.369 1.280 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1748953208 HGITTZQPQGNAJY-UHFFFAOYSA-N 437.327 1.427 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccsc2)CC1 1749034111 WFOGDUYPXMCANG-QGZVFWFLSA-N 430.603 1.979 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749104262 OHNDGQPFOZDGSF-IJLUTSLNSA-N 447.311 1.203 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1749597366 DICOPIPTKGULNP-KURKYZTESA-N 434.585 1.756 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nnn(C)n2)C1 1749696852 XKOXHUIPIIBTKK-OAHLLOKOSA-N 432.435 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCNC(=O)C1 1749738388 LTSWUNDBHIZFOF-UHFFFAOYSA-N 433.534 1.011 30 10 IDEE CC(=O)NCC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1749993524 AQKCNEFTMMDVLG-UHFFFAOYSA-N 425.493 1.380 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1751296650 NAWCLTNBIXIVRK-WMQDPJMESA-N 445.549 1.087 30 10 IDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760153975 KFNZTXUWNKPONU-UHFFFAOYSA-N 438.507 1.349 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1760183159 OOTPYLSWQNXXQL-RRFJBIMHSA-N 432.481 1.083 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760189431 PBWPUAUBAVETHY-DLBZAZTESA-N 431.566 1.092 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccn(CC)c2=O)CC1 1760257851 BGRYTBHFGZGADK-UHFFFAOYSA-N 427.512 1.802 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCSCC2)CC1 1760268624 MXHGQOOYNNXYOI-UHFFFAOYSA-N 427.578 1.288 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCC)CC1 1760269098 YEMUQTDMNTWRHB-UHFFFAOYSA-N 448.531 1.486 30 10 IDEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1760278780 GZMIAKNEYZILQM-LJQANCHMSA-N 438.557 1.754 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760441091 XYUIYGDTWFWFMQ-ULQDDVLXSA-N 427.571 1.438 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760510919 VRWCCQXKKLQJLW-INIZCTEOSA-N 431.541 1.792 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760549125 WWWVDLVRYAXVHP-UHFFFAOYSA-N 435.598 1.448 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760677275 LULRUPHRBNYQTD-HUUCEWRRSA-N 432.550 1.601 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1761462810 ASAXQEUYOHZRQB-LSDHHAIUSA-N 443.537 1.256 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(CCOc2ccccc2)n1Cc1ccc(C#N)o1 1767427239 GZJRMZJHJCGUHR-UHFFFAOYSA-N 429.502 1.893 30 10 IDEE C[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 1848441377 KUAYISMWWBBCAR-XSJRRXESSA-N 438.467 1.977 30 10 IDEE CS(=O)(=O)N1CCN(CCOC(=O)c2cccc([C@H](C#N)c3ccccc3)n2)CC1 1851789367 LHAXASXUYIQVQQ-GOSISDBHSA-N 428.514 1.471 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)O[C@H]3C[C@@H]4C(=O)N(Cc5ccccc5)CC(=O)N4C3)cnc21 1852723383 YTFKKUVCRWSDOF-AZUAARDMSA-N 443.463 1.614 30 10 IDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1C 1854036628 FRRFSTNIRBPTKE-UHFFFAOYSA-N 427.482 1.614 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(F)c(F)c(OC)c2F)C1=O 1854176550 XUKQFPFHOKQJCP-UONOGXRCSA-N 425.407 1.572 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCN1CCC#N 1856203591 JLQHSQKCSAIYSX-KRWDZBQOSA-N 432.546 1.838 30 10 IDEE Cn1cccc(C(=O)Nc2ccc(C(=O)NCC(=O)Nc3ccccc3C#N)cc2)c1=O 1860831925 AMZPLCOIGDHPBM-UHFFFAOYSA-N 429.436 1.878 30 10 IDEE O=C([C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(CO)CC1 1869928437 YCIVKCTYRKSUGE-IBGZPJMESA-N 427.526 1.567 30 10 IDEE C#CCOc1cn(CCCn2ccnc2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871008656 HJQWDSIEBLEWIH-UHFFFAOYSA-N 445.479 1.985 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)CC1 1892114531 WLIXFBLIDPGUNH-UHFFFAOYSA-N 449.467 1.467 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060634119 VQGXZZMSQDFISG-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCc1ccccc1C#CCO 2187770341 UXKHCHKIYMXSHU-UHFFFAOYSA-N 426.494 1.179 30 10 IDEE CC(C)(C)OC(=O)N(CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2248430582 AJELEPXDPUDPOZ-UHFFFAOYSA-N 438.359 1.987 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)CC23CN(C(=O)OC(C)(C)C)C3)C1 2255149368 WZVUGHRFCAGJNZ-IOXSGPKDSA-N 449.548 1.876 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(N)=O)C1 2255346786 MAOMFQQKWIILPT-OAQYLSRUSA-N 433.314 1.625 30 10 IDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255615807 LTWGSYAJPUYGHR-ZIAGYGMSSA-N 432.330 1.646 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)n1 2255647842 DUDBSWYYSZMJGR-CQSZACIVSA-N 433.314 1.970 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255655828 RNZWUAQICDCNDX-CQSZACIVSA-N 436.314 1.945 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](OCc2ccccc2)C1 2255767521 DJPVSTXIDCRSCK-KRWDZBQOSA-N 447.366 1.699 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256883315 UZTCWFJOMOCJJG-INIZCTEOSA-N 427.266 1.176 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267119394 VSJJHJWFSUWNLM-SJLPKXTDSA-N 439.369 1.897 30 10 IDEE Cc1nn(C)c(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2267140977 HALOTCPXJNFCAP-UHFFFAOYSA-N 436.365 1.986 30 10 IDEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267146037 KJAPJJKYUSHDFD-HUUCEWRRSA-N 446.357 1.862 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267192548 SGZBLLFBUFNBCM-SQWLQELKSA-N 446.357 1.847 30 10 IDEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1B1OC(C)(C)C(C)(C)O1 2267520776 MLNXRUVUCIHQIZ-UHFFFAOYSA-N 440.353 1.004 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267590565 QKWINAVBPIHKDV-JKSUJKDBSA-N 447.341 1.481 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2315519828 NBGRUSVYKGILNC-ZIAGYGMSSA-N 434.346 1.752 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334257653 APYBEAQXWHSPTO-FVQBIDKESA-N 446.357 1.847 30 10 IDEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)cc(OC)c1 20423981 AYPKZASEEYSRDF-ZVBGSRNCSA-N 444.521 1.718 30 10 IDEE C=CCNC(=O)N1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(C)cc2)C1 34692237 NVXALDGQZGVTMK-OAQYLSRUSA-N 430.549 1.366 30 10 IDEE C=CCOC(=O)[C-](C[C@](C[C@@H](C(C)=O)C(=O)OCC=C)(C(C)=O)C(=O)OCC=C)C(C)=O 253611685 UJCPSIHNPIHJQL-FDDCHVKYSA-N 449.476 1.898 30 10 IDEE C=C(C)Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)n(C)c(=O)n2C 254488784 MFCHXUWQEGJMJY-UHFFFAOYSA-N 447.293 1.924 30 10 IDEE CCS(=O)(=O)NC1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446627116 DXFUOXBOPFTDEP-UHFFFAOYSA-N 435.550 1.757 30 10 IDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 460779794 DYOJVHBSZBTACO-FQEVSTJZSA-N 437.548 1.817 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H]3COCC[C@@H]32)CC1 464852037 HSSNPMKEFGDCMX-AEFFLSMTSA-N 425.489 1.956 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 469040274 RVMAENUCQRSVIV-AWEZNQCLSA-N 444.479 1.963 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC1 471959623 XBWMIYJPXKIRIK-UHFFFAOYSA-N 440.407 1.905 30 10 IDEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 480757063 KOLIKKXJWGKPPV-RBUKOAKNSA-N 425.576 1.760 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 481496525 WZWTVZYGGJLSEL-VQIMIIECSA-N 443.525 1.763 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 490265500 AGHLASOWZAYRDB-OALUTQOASA-N 426.542 1.867 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CCCCC2)CC1 509000876 LCHHCEQJGWRPKX-HNNXBMFYSA-N 438.598 1.740 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1 513190273 RTICUKVHUYLZQY-IBGZPJMESA-N 431.562 1.586 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 530315843 WVBWGPQMAOOYQO-KRWDZBQOSA-N 445.500 1.922 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(C(C)(C)C)s3)c2=O)cn1 532708633 JBNXJFKAKVOWAY-UHFFFAOYSA-N 441.582 1.723 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)n1 542076360 UCASCUUHYPNPBY-HXUWFJFHSA-N 426.864 1.465 30 10 IDEE Cn1cc([C@H]2CN(C(=O)c3cc(C#N)cn3C)CCN2C(=O)c2cc(C#N)cn2C)cn1 542408816 NEDDPSFEFDLCPS-HXUWFJFHSA-N 430.472 1.180 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN3CCOC[C@H]3C1)CCCC2 544521469 WHDHHSFSEATVHG-QZTJIDSGSA-N 427.549 1.372 30 10 IDEE CCOC(=O)c1cnn(C2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)c1C 558167719 VTFRWTSEEUCDFL-UHFFFAOYSA-N 431.518 1.746 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H](C(=O)N2CCOCC2)C1 578151268 ABCLGGKIIKFHNW-RBUKOAKNSA-N 428.533 1.901 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@H]2CCCCO2)cn1 579569097 IYPWBUASUKRPOG-LJQANCHMSA-N 433.520 1.841 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 603786764 MIIXZWAGICDPCN-UHFFFAOYSA-N 438.484 1.089 30 10 IDEE CCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn3ccccc23)c1=O 729672048 USSWGOLDIIVBJN-UHFFFAOYSA-N 445.552 1.837 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 731007806 UPXRBEGRDBTPAQ-AEFFLSMTSA-N 436.578 1.367 30 10 IDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 731862360 DUQFEESWHVHOTA-LDTKGLONSA-N 432.864 1.344 30 10 IDEE C[C@@]1(c2ccccc2Br)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732665927 ARBSGTYTGPZLJL-LIRRHRJNSA-N 432.322 1.846 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)CCN1C1CC1 732705722 FGIQLNJIGNQDDX-AWEZNQCLSA-N 433.394 1.423 30 10 IDEE CCc1cnc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 742128925 OCOUZLLRLQCWTO-UHFFFAOYSA-N 433.559 1.483 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C)cc1OC 747249230 AORDBHPOTCBDMW-LBPRGKRZSA-N 436.349 1.577 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[C@H]1CCS(=O)(=O)C1 751274509 WBNNMUFNMTWKQK-ZDUSSCGKSA-N 446.978 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 756896094 ZBAMVONJDATWKD-SWLSCSKDSA-N 427.910 1.989 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccn(C)n2)c1 765888605 NSVYRKPYASWMCO-HKOYGPOVSA-N 446.533 1.268 30 10 IDEE COc1ccc(-c2noc(CN3CCN(C(=O)[C@H](O)c4ccc(C#N)cc4)CC3)n2)cc1 780862090 NJCZXYFFUDZZOE-OAQYLSRUSA-N 433.468 1.995 30 10 IDEE C[C@H](C(=O)NS(=O)(=O)c1cccc(F)c1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 781597478 KIPOMERNSXTZLU-LBPRGKRZSA-N 439.490 1.556 30 10 IDEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc12 783007223 FRIGZOOEFTVPIW-HNNXBMFYSA-N 437.431 1.970 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 814612009 IXEBDNWYAITWSS-WDZFZDKYSA-N 445.522 1.921 30 10 IDEE CC(C)CN(C(=O)CON=Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 853723534 WJVABUUDAFDSMK-HXUWFJFHSA-N 437.562 1.545 30 10 IDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@H](C#N)CCc2ccccc2)C1=O 1137058697 WZXHNABIQACGPC-KRWDZBQOSA-N 433.468 1.891 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1144026753 KLZSINDJVKLONZ-OALUTQOASA-N 432.565 1.448 30 10 IDEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157884563 IWSBBBNMHFAWCY-WFTHSTBKSA-N 427.523 1.144 30 10 IDEE C[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21)/N=C1/NS(=O)(=O)c2ccccc21 1158017016 BXLSHTJICLDNTQ-VNQPRFMTSA-N 448.545 1.724 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1162112991 BWRNEJNDIYZRGR-OXQOHEQNSA-N 438.509 1.752 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)n(Cc2ccccc2)c1C 1176335805 QATHEDJLMXEVOE-IBGZPJMESA-N 444.557 1.445 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)c1 1192012810 NNQCLDAKSLLCGP-INIZCTEOSA-N 440.518 1.544 30 10 IDEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cc1F 1212490093 HLTIZJVOWROUCF-UHFFFAOYSA-N 429.520 1.673 30 10 IDEE CN(C)C[C@@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@H]1CN(C)C 1230536353 VXIXQVDBSQKUPK-FGZHOGPDSA-N 426.609 1.903 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)C2)c(=O)nc1O 1234103635 RGQBIVREACHBNC-PGRDOPGGSA-N 441.463 1.300 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1286290123 PJQPODONPVRGOR-MRXNPFEDSA-N 436.516 1.674 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286386386 ZGLVCBRWMNZHTD-SONOPUAISA-N 448.614 1.955 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1286390618 CNXIZNJLQHVEJB-KRWDZBQOSA-N 449.964 1.985 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)N(C)C)CC1 1286474030 XIEUPZQRLIPHFV-UHFFFAOYSA-N 432.475 1.780 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1286478920 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C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NCc3nc(C)cs3)c2)CC1 1443353564 FVHUYXIFEPFZJA-UHFFFAOYSA-N 425.558 1.961 30 10 IDEE Cc1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1S(=O)(=O)N(C)C 1456345423 WNMLUAPLTKYWGO-UHFFFAOYSA-N 439.490 1.934 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1471528136 GKXVBLRLIMWSBW-DLBZAZTESA-N 427.567 1.998 30 10 IDEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472035567 KRBZCRFAFGYFEJ-KNBMTAEXSA-N 436.509 1.046 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N(O)Cc2ccccc2Cl)c1 1472620081 NYDKZZMREDVBAM-UHFFFAOYSA-N 432.907 1.440 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OCC)ccc2Br)nn1 1475414380 QJXKFDWAEOYMFL-UHFFFAOYSA-N 429.296 1.882 30 10 IDEE CCN(CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1501889296 FQGNWHMALGVTRA-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1503860168 FKKIXOLXBDUVSG-RDJZCZTQSA-N 429.502 1.251 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1504600129 WQTJANBEFRLURG-ICSRJNTNSA-N 428.512 1.960 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CC1=O 1504901916 WKYOSDJCISTUCF-GJZGRUSLSA-N 443.508 1.239 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507544610 YVZJNHVAVWNEIB-UTKZUKDTSA-N 432.546 1.481 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCn2cc(Cl)cn2)CC1 1507737917 GXZVPEFNSRRJPM-UHFFFAOYSA-N 441.927 1.195 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](CC)C1 1508094169 ZRHUKTNEUSJHCF-LSDHHAIUSA-N 432.550 1.576 30 10 IDEE CC(C)COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1509450321 ZQCFEAJJQLSGPP-QGZVFWFLSA-N 441.492 1.657 30 10 IDEE C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)N1CCCCC1 1509980808 CGLKONYYUQTQAA-SQNIBIBYSA-N 436.582 1.173 30 10 IDEE CCN1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515857247 YJQXIYSCSPQTIM-RLLQIKCJSA-N 431.585 1.663 30 10 IDEE 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C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1595613672 GUBCTGLXUJISIA-FUHWJXTLSA-N 445.545 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595778441 ZUGNTQFKNRWGKD-FQEVSTJZSA-N 449.964 1.916 30 10 IDEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1613608585 AUZDIZXTVJEORE-RKVPGOIHSA-N 427.550 1.205 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1617677893 FUKZQAHGIDVXFW-LJQANCHMSA-N 436.564 1.961 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1619912857 NWILCKYLRPCPIY-KRWDZBQOSA-N 439.582 1.896 30 10 IDEE C#CC1(O)CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)C1 1620645544 AMMNWEGJYGANQA-PDGQHHTCSA-N 441.553 1.817 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OCCOCC)CC1 1623023468 RSBMGWWEBIJJBT-UHFFFAOYSA-N 444.941 1.372 30 10 IDEE NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1626983325 PARVIKDOYPZIDY-MUPIXQSSSA-N 437.496 1.654 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nccc(C4CCOCC4)n3)CC2)C1=O 1632753666 SOKQOCVCXQFTHP-UHFFFAOYSA-N 441.488 1.053 30 10 IDEE C#CCN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327439 DNWWJZAOFIOZSL-MRXNPFEDSA-N 430.592 1.768 30 10 IDEE Cn1ccnc1[C@](O)(CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(F)(F)F 1638995599 GWDLEOASCKXGMZ-GOSISDBHSA-N 425.386 1.920 30 10 IDEE C#CC1(O)CCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 1641041503 ZEFUJNNVMHIMTB-UHFFFAOYSA-N 430.530 1.056 30 10 IDEE C=CCC1(O)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1644943421 YAXVDQJNSBHNBF-UHFFFAOYSA-N 438.546 1.836 30 10 IDEE COC(=O)[C@H](Cc1ccccc1)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1646455073 DMDLEKAATQBPPC-RBUKOAKNSA-N 426.542 1.831 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 1648029318 HCSUTXFHWCGGFX-RTBURBONSA-N 438.571 1.606 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC=C 1649540329 VLXIMNDZKWSJSI-AWEZNQCLSA-N 429.550 1.307 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)c(F)cc2C)CC1 1661346364 CYZVDQBZQHHKPM-UHFFFAOYSA-N 433.303 1.514 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Cl)ccc2Br)CC1 1683400418 XOLIURRUXRCBHS-UHFFFAOYSA-N 449.758 1.397 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1689886889 JNHJTLGKJXHZOA-KURKYZTESA-N 430.553 1.400 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1690026451 ABFNJNGOSKTWNC-UHFFFAOYSA-N 430.468 1.481 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCN2CCOC[C@@H]2C)n1 1690107855 FPYITJWRWGVRCJ-IBGZPJMESA-N 443.596 1.779 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690172355 CYHOZNIKPBFZCC-CVEARBPZSA-N 444.565 1.418 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1690627715 VAHKRQVRQHISGV-ZBFHGGJFSA-N 436.582 1.207 30 10 IDEE CCCN1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1 1695362635 CSJBBWUNJZVYEM-IRXDYDNUSA-N 443.577 1.730 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1695698255 ZFVCMWZTSRPCSX-SFHVURJKSA-N 447.503 1.565 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CC2)n1 1697629715 VUKQADIGFIANOJ-QGZVFWFLSA-N 447.547 1.892 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(=O)NCCC)c1 1705505999 XHVKPGRTDDWFFK-UHFFFAOYSA-N 448.531 1.651 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1705507565 GSWHPWGYQNRLDA-GOSISDBHSA-N 441.557 1.722 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705538172 DWNOMSGLMROYSK-GOSISDBHSA-N 440.596 1.590 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1705573938 QWAVYIWWLMYSJZ-AWEZNQCLSA-N 437.472 1.611 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC(C)CC1 1705577241 WKUZJADILXJBJD-UHFFFAOYSA-N 429.532 1.726 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1705582784 JOFCXAWHXRCAQS-MRXNPFEDSA-N 428.514 1.319 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1705586466 KKQGUGNKTRAIDX-FQEVSTJZSA-N 440.569 1.970 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1705595823 HWJHUKJMECEFBE-MZNJEOGPSA-N 446.511 1.195 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1705611723 NYFLEBWNEYKOEX-AWEZNQCLSA-N 426.502 1.488 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CC)CC1 1705635270 VJCWOQZQYLEXMM-NZQKXSOJSA-N 430.597 1.558 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705639367 MOGMWPHYVAFPAJ-IBGZPJMESA-N 428.581 1.924 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)C2CC2)CC1 1705646721 OGCRSTKYCLEEQH-UHFFFAOYSA-N 448.571 2.000 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705657910 VJDXDWDKRMYSLS-UHFFFAOYSA-N 434.591 1.615 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705729186 OGFKIOJUFVOEOE-LNLFQRSKSA-N 432.569 1.367 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705791967 JLYUMXIZRAOHEV-GJZGRUSLSA-N 430.596 1.406 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@@H]21 1705904547 RLOHVEUICAWRLV-ULQDDVLXSA-N 446.552 1.877 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1705907428 MJIKMGNCKMRQND-SJORKVTESA-N 430.553 1.487 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1706665005 OCSXQESYVUVNQE-LJQANCHMSA-N 437.522 1.312 30 10 IDEE Cn1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)n1 1711283349 HJTXFMPLYVXBER-UHFFFAOYSA-N 445.409 1.736 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCS1(=O)=O 1722293436 RNSXAOQKGPRJRQ-CQSZACIVSA-N 441.517 1.087 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1722365344 DHNKYROJSDAZLQ-INIZCTEOSA-N 431.518 1.243 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1722365346 DHNKYROJSDAZLQ-MRXNPFEDSA-N 431.518 1.243 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N1CCOCC1 1722376968 KENQPWXZRYOFDV-UHFFFAOYSA-N 437.500 1.284 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722638642 IJEHEIUUPHCWGR-QGZVFWFLSA-N 443.552 1.571 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722700606 NOGOHLRAJVYOJP-UHFFFAOYSA-N 445.527 1.728 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722702591 MRAMGTLPAVQRQC-ZMSDIMECSA-N 432.525 1.140 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2cccc(N3CCOCC3)n2)C1 1722723380 YCXXOXHPKARYAK-IBGZPJMESA-N 428.537 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](SC)C1 1722727989 SGFXEEAQEAJVQT-HUUCEWRRSA-N 427.596 1.552 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCC2)CCOC1 1723692488 OYKSSZSSLKFYMG-UGKGYDQZSA-N 432.569 1.922 30 10 IDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1730370820 BVRUIYBGMABAPH-SFHVURJKSA-N 445.545 1.921 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740571962 WUQYRIBNVIKAOZ-ZWKOTPCHSA-N 429.569 1.069 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCO2 1740680181 UJYBLQZJWDTHPD-QHCPKHFHSA-N 442.516 1.836 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1740932823 WVOAOYWYMPYFPX-INIZCTEOSA-N 434.541 1.853 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740988764 OSFRHUWXBLPDSN-SJORKVTESA-N 443.485 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740988812 QCGJYUJHCDZPHQ-WMZOPIPTSA-N 445.545 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740991129 PCNSIQHJKZNJRP-UHFFFAOYSA-N 425.555 1.813 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1740994680 UXURSLASVJBTBB-MRXNPFEDSA-N 431.518 1.555 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC[C@H]1CCCO1 1742835098 CEKMJQRVNWXMPX-SJLPKXTDSA-N 426.525 1.549 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1747442300 ASZGFMSYNQWTMA-CQSZACIVSA-N 434.522 1.251 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1748959472 URNPBNPOPGLENJ-HDICACEKSA-N 427.553 1.709 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CCC)CC1 1748972353 GPQHYADDXRUBRD-IBGZPJMESA-N 436.564 1.555 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)N(C)C)CC1 1748984273 PDJDWJMPMPRULR-UHFFFAOYSA-N 445.365 1.941 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(NC(C)=O)cc2)CC1 1748991249 UPERLYDKZJPNFV-FQEVSTJZSA-N 435.532 1.186 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749241579 QDRMKEYKHBUREJ-FCHUYYIVSA-N 436.553 1.907 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749456386 DEXAJBMLRNAQMC-IRXDYDNUSA-N 432.525 1.141 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N(C)C 1749546870 FYMLDMCPCRDZSM-UHFFFAOYSA-N 445.524 1.958 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1749652083 HMWMQVAHOKBFDK-HZPDHXFCSA-N 444.511 1.822 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1749698061 OKMKMNIQSWVETB-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)(C)C)C1 1749734983 PBQRQSLUHPCMQH-CVEARBPZSA-N 444.623 1.653 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1749941722 KEPLDQHDNRNVMR-NVXWUHKLSA-N 425.555 1.567 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CCO1 1752389823 ZOANAUGGKVMHDG-MRXNPFEDSA-N 436.472 1.863 30 10 IDEE CC[C@H](C)c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752626144 SSMAMLPNQHWOHA-JSJMYKNQSA-N 443.552 1.623 30 10 IDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760137510 STHOIAKKBRAUBJ-SFHVURJKSA-N 428.537 1.250 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760186490 NWLBEHYIJDXKCV-ROUUACIJSA-N 437.610 1.214 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(C)=O)CC1 1760204994 LAPPCWXRRKUBKR-UHFFFAOYSA-N 429.528 1.848 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC=CCO2)n1 1760252170 KBVHTJAEQRFSBK-CTNGQTDRSA-N 440.548 2.000 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCOC2)C1 1760302182 VLOLHNXNKXMSMG-WMLDXEAASA-N 431.331 1.906 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760355138 ZTCYWRZVFOBJBH-LJQANCHMSA-N 427.553 1.609 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760438076 XQNDZRRQBZRUOJ-SFHVURJKSA-N 440.552 1.575 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1760523248 RAMDSGHSEYQFMF-MRXNPFEDSA-N 436.520 1.251 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760527538 ZXFZTUDFYBSAJR-IBGZPJMESA-N 449.559 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760548358 FBJFLYVJVCIHQN-MRXNPFEDSA-N 439.582 1.149 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760556342 AKBYLKFTAMEOBO-HNNXBMFYSA-N 437.547 1.172 30 10 IDEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760566349 RMWDAEDAMNYMSE-UHFFFAOYSA-N 436.626 1.377 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1760678221 VMFBVTRRKXCLJW-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1766854441 QZYIWKGXJFZZHA-RBUKOAKNSA-N 435.532 1.742 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1767504223 ZOZBAGQZTJLSLR-HNAYVOBHSA-N 445.321 1.915 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1767959305 FSLBKLIFEIVGRN-ROUUACIJSA-N 430.509 1.518 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1768150198 JXWPOIQGBBYQSR-JKSUJKDBSA-N 441.479 1.732 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1769585824 CFAAFIAEJVJBSC-DBXWQHBBSA-N 440.548 1.921 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)Nc1ccccc1 1770050018 HSRFNMYHYKFRSA-SJLPKXTDSA-N 428.493 1.760 30 10 IDEE COCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1771079438 BIDMEMNNWANBEL-UHFFFAOYSA-N 449.563 1.455 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCC(=O)N1 1771111870 ZDBQWBVYWMBQJB-GOSISDBHSA-N 434.504 1.776 30 10 IDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCN(C)C1=O 1848892281 GALGIPGFGARQHK-SWLSCSKDSA-N 433.452 1.618 30 10 IDEE COCCn1nc([C@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)n(C2CC2)c1=O 1848961849 QENYOMOKVUZEME-INIZCTEOSA-N 431.518 1.466 30 10 IDEE C=CCn1cccc(C(=O)N2C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc32)c1=O 1851982860 PAGYAXAMFZYEFD-KRWDZBQOSA-N 427.482 1.765 30 10 IDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CO2)nc1 1852086933 FQJYKDOIFHNHIX-WBVHZDCISA-N 436.424 1.441 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C(=O)C2)C1 1853667013 PGVIHDMOEKBPSB-QFBILLFUSA-N 430.936 1.624 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3O2)C(=O)C1 1853948422 NCAQTLADZLEOIJ-GOSISDBHSA-N 425.466 1.312 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)C1 1855278785 GHADIMDWCFZEAG-MRXNPFEDSA-N 445.463 1.715 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1F 1855734524 QYLDISAIYLJZHQ-CYBMUJFWSA-N 431.445 1.768 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(OC)c2)cc1 1859010625 AFQDZJKUHDFPPB-UHFFFAOYSA-N 446.481 1.481 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H](N)CCC(N)=O)sc2c1 1866104589 WEPGEKCMJWCMLL-CYBMUJFWSA-N 437.547 1.190 30 10 IDEE Cn1nc(C(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)cc1-c1cc(F)ccc1F 1867098744 BMJCUMMJKWVMBP-SFHVURJKSA-N 425.395 1.966 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867832426 CPCFYOZUNWNSFX-DLBZAZTESA-N 427.373 1.283 30 10 IDEE C#CCOc1cn(CCOCCO)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870563874 RNVCPALTASUVEF-UHFFFAOYSA-N 425.529 1.187 30 10 IDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596279 BHMREKUQNBLCFU-UHFFFAOYSA-N 441.536 1.556 30 10 IDEE CN(C(=O)Cc1csc(NC(=O)C2CCCC2)n1)C1CN(c2nccnc2C#N)C1 1891335694 BSYFAZCNRKXINS-UHFFFAOYSA-N 425.518 1.823 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1896122022 IUIMWEDPMITVFI-ARFHVFGLSA-N 425.526 1.780 30 10 IDEE NCC#Cc1ccc(CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)s1 2145991081 FPRQSWZWFWPIJX-UHFFFAOYSA-N 445.566 1.944 30 10 IDEE Cc1csc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1C#CCCO 2157009066 VGBVIQAXMPDAJJ-UHFFFAOYSA-N 446.550 1.896 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243675809 AXVJLBJJLAFPAK-AWEZNQCLSA-N 426.344 1.549 30 10 IDEE Cc1ccnc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255633646 FIRILTBVQMFIQP-AWEZNQCLSA-N 435.330 1.305 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2255647861 FEUFFTVWWWQRIA-UHFFFAOYSA-N 434.346 1.802 30 10 IDEE Cn1cc(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2255656316 ZCNAIBFATUZUFQ-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255708859 ONPJGVXAHHUAHX-HZPDHXFCSA-N 435.330 1.678 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255814726 COOBIAZIJLTSKU-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CC1 2267216691 VZGBBPCILJYISN-SFHVURJKSA-N 439.369 1.755 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267269952 IOYOSAWULIWKGQ-QGZVFWFLSA-N 447.341 1.747 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2267529214 YDMWMWAWPHYNCH-PEBXRYMYSA-N 446.357 1.941 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2269711470 OUVYUUPKDUMRHG-UHFFFAOYSA-N 447.341 1.713 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2270591569 MTIMAHSISCBFEW-UHFFFAOYSA-N 444.263 1.485 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccncc3)n2)cc1 20837696 OHEYNQUYIXZBRW-RGVLZGJSSA-N 446.518 1.414 30 10 IDEE Cn1nc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c2ccccc2c1=O 109891667 PHMKWWXDDUKVNF-IBGZPJMESA-N 433.493 1.888 30 10 IDEE C#CCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)[C@H]1CCS(=O)(=O)C1 111192723 TZLPEXVHKJZSLR-SFHVURJKSA-N 432.542 1.466 30 10 IDEE C/C(Cl)=C\Cn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 254605468 DEMNSCLTSPKAQX-FVAQEYPFSA-N 431.840 1.931 30 10 IDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427212806 RNDKVXALVGTCIV-UHFFFAOYSA-N 429.502 1.459 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1 433973417 GGGFDICNWPXSSP-UHFFFAOYSA-N 440.525 1.860 30 10 IDEE COc1cc(N2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)ncn1 461928271 ZGNHXAZBZMCRKP-UHFFFAOYSA-N 438.879 2.550 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1C 462448060 ZJXSZEBBXCFPNI-UHFFFAOYSA-N 441.553 1.821 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)CC1 467852960 RBTAQUFMXQQBEL-MUIFIZLQSA-N 443.447 1.747 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)cc2OC)c1 474711954 MMWNMLVKJSABTD-LJQANCHMSA-N 448.497 1.812 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)s1 477440465 AZOXHLGUFUJELT-CQSZACIVSA-N 447.582 1.434 30 10 IDEE CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 478846164 XZKNGXNFQOUJHA-AWEZNQCLSA-N 440.550 1.676 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)CC1 506271263 MRBLRADSQUATRK-UHFFFAOYSA-N 442.589 1.929 30 10 IDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508808760 IDIKWAYHFYFSIB-IBGZPJMESA-N 426.521 1.577 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(C[C@@H]2CCCO2)c1=O 512719739 FEGZYRGVKZWGIO-SFHVURJKSA-N 440.569 1.958 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1C[C@@H]1CCCO1 514658627 NKGPLZTYXGTHHQ-AWEZNQCLSA-N 437.443 1.357 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)C(C)(C)C)CC1 516846132 IAUPZUGKFZFNFS-UHFFFAOYSA-N 446.548 1.748 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)o1 531938522 FIOZNOIDIAWTDG-UHFFFAOYSA-N 435.505 1.479 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1-c1ccccc1C#N 532620069 KOGRWTUYVKCGPC-UHFFFAOYSA-N 440.406 1.437 30 10 IDEE Cc1cc(N2CCN(C(=O)CN(C)CCCc3[nH]nc(N)c3C#N)CC2)nc(C(C)C)n1 534836488 OKKOHEIFSVLYPY-UHFFFAOYSA-N 439.568 1.299 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)COCCNC(=O)c2ccccc2)cc1 542212792 OMHGEQLVKCQGSC-IBGZPJMESA-N 438.509 1.845 30 10 IDEE N#Cc1cc(Cl)cc(Br)c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 553310800 LGTNZJZUBVJELP-UHFFFAOYSA-N 449.758 1.673 30 10 IDEE Cc1nc2ccccn2c(=O)c1CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 559796389 SZXHHSAQEQXTOJ-UHFFFAOYSA-N 437.525 1.424 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cn1 584315043 HQLNVIMUBOEODE-CQSZACIVSA-N 429.506 1.465 30 10 IDEE O=C(NCC#Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603805464 JGXMQOSKRBQGKI-UHFFFAOYSA-N 428.470 1.662 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CC1 605417365 UFYWWKLZCNUGOY-LJQANCHMSA-N 444.536 1.439 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)ccc1F 609220240 RMGSEJUUSLHALH-UHFFFAOYSA-N 444.491 2.000 30 10 IDEE CC(=O)Nc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610353018 RTAOJOLOXUUHOG-UHFFFAOYSA-N 441.513 1.733 30 10 IDEE CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(C#N)cn1CCOC 611467898 HNSUHXIGNZQVFN-CYBMUJFWSA-N 438.440 1.806 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730138180 JOEIIHVEPGRGND-SFHVURJKSA-N 444.561 1.084 30 10 IDEE N#C[C@H]1CN(C(=O)c2cc(I)ccc2-n2cnnn2)CCN1C1CC1 732648419 UOCXVGBIPINMRM-ZDUSSCGKSA-N 449.256 1.079 30 10 IDEE COCCCn1c(S)nc2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc2c1=O 732664339 HLHFHEZHDWOLHU-INIZCTEOSA-N 427.530 1.534 30 10 IDEE CC1CCN(Cc2ccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 737305158 FPTXFDGYLKUJBP-MRCUWXFGSA-N 439.516 1.500 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@H]1CCCO1 743729173 XKCHMZARJATLLG-DOTOQJQBSA-N 444.557 1.050 30 10 IDEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768422889 VRALVLOFDHUMQD-KRWDZBQOSA-N 443.577 1.632 30 10 IDEE C#CCN(C(=O)NCc1cc(OC)c(OC)cc1Br)[C@@H]1CCS(=O)(=O)C1 774193394 RAGQJMYNJRZADE-CYBMUJFWSA-N 445.335 1.798 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Br)nn2C)c1=O 782576047 UYECLMBAMFWJQI-UHFFFAOYSA-N 433.331 1.464 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 783012035 BXFRWHJJTCIMAU-UHFFFAOYSA-N 429.564 1.012 30 10 IDEE C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 783633931 QFQHVQSWQLAXDA-XJKSGUPXSA-N 429.454 1.594 30 10 IDEE C[C@H](OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)C(=O)NC1(C#N)CCC1 787790155 BZEXKUQNHMICDW-HNSVSWJLSA-N 433.505 1.943 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)n1 789002671 TZWOLJUURYVQLQ-IBGZPJMESA-N 425.537 1.696 30 10 IDEE C[C@@]1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]2CC[C@H]1O2 791550761 FYSRSKHNXNPAHQ-UZSYQUHHSA-N 440.456 1.956 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 792892716 ZTKOUGGGGZXAKU-HSZRJFAPSA-N 428.533 1.482 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNC(=S)NC[C@H]2CCCO2)C1 794470039 ANMQCDPDQQOKGK-LSDHHAIUSA-N 427.571 1.379 30 10 IDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)n1cnc(C#N)n1 798401807 HDIKSQRFENLBOK-XFJHAZTOSA-N 429.506 1.942 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 804542155 JXWBFDXMJXNYHZ-HIFRSBDPSA-N 441.575 1.222 30 10 IDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2F)n1 807930464 SMQKSNABVLZTPP-OAHLLOKOSA-N 440.464 1.905 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 813563259 SCXDLHUZHSQBLZ-SWLSCSKDSA-N 439.969 1.474 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(c2nccc3sccc23)CC1)c1cc[nH]n1 813844752 DDOOWMFRWJCEKF-UHFFFAOYSA-N 442.501 1.652 30 10 IDEE COc1ccc(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c(OC)c1 916179731 UEBJONMECYOAPJ-MRXNPFEDSA-N 443.481 1.575 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)ccc1F 1116378017 VXTKDZNZRHXIKI-UHFFFAOYSA-N 443.500 1.018 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1136575045 KEQOSHKTOSYAEC-UUAJXVIYSA-N 440.466 1.664 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccccc3CC#N)CC2)cc1 1146356047 XXKPYLLGISAPKH-UHFFFAOYSA-N 442.541 1.643 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1162046093 KKAFOMARSDAVJV-DKASORFFSA-N 434.415 1.865 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)c1 1165664330 QMQXRMHSECIDNT-QHCPKHFHSA-N 434.452 1.878 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@@H]2CC(N)=O)n(Cc2ccc(F)cc2)c1C 1171248544 ATKVPTXLHXSOFM-SFHVURJKSA-N 427.480 1.679 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCS(=O)(=O)C[C@@H]3CCO)c2C#N)C1 1176333410 DOWYYAFMFSBFQH-KBPBESRZSA-N 425.576 1.555 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 1227229605 BOZGFEIDBKTKJS-GOSISDBHSA-N 436.491 1.907 30 10 IDEE CC(C)Cc1ccc([C@@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)N(C)C)cc1 1251685437 YEDNCBHZLBUWIV-HXUWFJFHSA-N 438.532 1.888 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCOC 1286278864 HQBYGYLEFSGWFS-KKSFZXQISA-N 449.577 1.441 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286313500 AYQHSFZLKANQHF-HZPDHXFCSA-N 445.611 1.095 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1286384858 JTZKMMSSOJIMNC-SFHVURJKSA-N 439.545 1.862 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286411347 QGYIYMRBZNUAMK-XMMPIXPASA-N 440.551 1.952 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(C)c1 1286461410 SECYWAFNLSOYOK-UHFFFAOYSA-N 438.532 1.339 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1286463472 HAJFOBDGEUYISY-UHFFFAOYSA-N 436.509 1.110 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C1CCC2(CC1)OCCO2 1286508632 OCGCLMFOAPJVJC-UHFFFAOYSA-N 433.578 1.889 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCn2cc(CO)nn2)CC1 1286654248 CSLRFVUMFHNUCN-NRFANRHFSA-N 431.541 1.507 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1286788693 CJVFNZNXQXAHHP-HNNXBMFYSA-N 437.470 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1286820040 CJFLNVWDDNTHQO-MRXNPFEDSA-N 436.534 1.733 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1286950133 DFTLUVUMPLCKAE-UHFFFAOYSA-N 445.531 1.768 30 10 IDEE CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cn1 1295919534 FKMUROCYWPBQKW-UHFFFAOYSA-N 448.535 1.274 30 10 IDEE CS(=O)(=O)c1ccc(NCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1296292387 GLLBRPZOIAMJHY-IBGZPJMESA-N 426.498 1.685 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CC(=O)N(C)C)CCOC1 1296679145 LEKAABKZJZFJFF-SELNLUPBSA-N 438.532 1.762 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1297696896 RLHVAGAIPJBZMT-IBGZPJMESA-N 447.561 1.883 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300482451 FORTUXBNNUNZDR-CRAIPNDOSA-N 437.516 1.794 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300505480 BEWHMQJPDBIWOH-HUUCEWRRSA-N 436.563 1.159 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1300573713 LNPCIIIJIZVOPM-SFHVURJKSA-N 436.472 1.516 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1300896142 ZHDCMNYIDXFKLT-MDPIYQRISA-N 436.553 1.763 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301575672 JPOBBCFJKQCYHG-HNNXBMFYSA-N 443.529 1.959 30 10 IDEE CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301689619 IKRHSMQQTAEMEW-ZCXUNETKSA-N 429.525 1.161 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1304200937 RQOOTPSMVYBYCC-SFHVURJKSA-N 438.571 1.951 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)COC)CCN2C1=O 1313832212 FSOQXPOPCWDMCJ-MAUKXSAKSA-N 437.504 1.572 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1315235282 IMPMQEJVBNVAAM-OAHLLOKOSA-N 436.463 1.843 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1358895523 KYTCDSDRPYJOGG-LJQANCHMSA-N 438.576 1.694 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nccs1 1359009968 CLYOUTWKFKFMDG-CABCVRRESA-N 438.579 1.331 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1359023226 DNVAORHUHAIWJW-IAGOWNOFSA-N 448.568 1.818 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(O)CCSC2)n1 1359027409 ILFUAWOHIOLTBM-OAQYLSRUSA-N 432.594 1.926 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCNC(=O)CC3)nnc2[C@]2(OCC)CCOC2)cc1 1359308612 TXQGWMVSYUBXRY-QHCPKHFHSA-N 441.532 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359333052 MZYOIDDAUKURDU-INIZCTEOSA-N 439.582 1.124 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359347145 FMIWQDMQTSDUQK-QGZVFWFLSA-N 443.577 1.869 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cc1 1450722969 NCNQVTQYPLACPS-UHFFFAOYSA-N 432.527 1.883 30 10 IDEE N#Cc1cn(CCC(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(=O)nc1O 1452287024 GWHAAGVZGKATQK-MRXNPFEDSA-N 441.463 1.295 30 10 IDEE CCOC(=O)c1cn(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1467671477 GUZOXFJYWRMGNC-UHFFFAOYSA-N 446.305 1.947 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCOCC2)CC1 1467952372 BTRQRNMMRIVOHY-KRWDZBQOSA-N 434.562 1.219 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCOCC34CCCC4)CC2)cc1 1471591473 DOCNWHPIIDLLIS-IBGZPJMESA-N 432.546 1.923 30 10 IDEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 1473069293 NGYFBDVKTBLMQL-AESZEHBQSA-N 430.505 1.164 30 10 IDEE C[C@@H]1CN(Cc2ccccc2NC(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1475982298 ATIKXYUURBIXDV-HUUCEWRRSA-N 426.477 1.251 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 1478233800 KGDPOPIDTDPQNA-CABCVRRESA-N 446.495 1.992 30 10 IDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1499969256 FICMBINOYIRWDH-DHIUTWEWSA-N 438.532 1.996 30 10 IDEE CCCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1500593715 PTIYCCCVLANYLC-GOSISDBHSA-N 439.520 1.865 30 10 IDEE CCCN1CC[C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1500961186 HHNBTHPDPJJYCG-IPJJNNNSSA-N 432.569 1.779 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCOC1 1503416030 RYBGIWPJOJTYMX-SJLPKXTDSA-N 430.534 1.323 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(N)=O)cc2)C1 1505317261 FDQVCSAABKRHLF-HXUWFJFHSA-N 426.456 1.381 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1507536236 BGPJRDCELTZLRJ-CRAIPNDOSA-N 425.489 1.531 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507626218 DMLBGMJHTOAJBK-FUHWJXTLSA-N 431.562 1.958 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1507637621 LKUITGJOCBRUIP-INIZCTEOSA-N 438.500 1.962 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1507640764 VPIWHAFDQQWAKN-SFHVURJKSA-N 444.557 1.829 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1507643128 HXESBGFFEAVDCM-UHFFFAOYSA-N 439.264 1.500 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnccc1OC 1507644611 LIVROTXQQXPTGL-UHFFFAOYSA-N 425.456 1.446 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2([S@](C)=O)CC2)n1 1507714306 MKJKUMLARAOOOP-PMERELPUSA-N 432.594 1.969 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(OC)CCOC2)CC1 1507731643 ADOQCBXYCXTYJD-XMMPIXPASA-N 439.560 1.980 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1507752119 VLMWMPCVEFLSOV-KRWDZBQOSA-N 432.594 1.923 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508081995 QSIQFXKYFGYFNE-WBVHZDCISA-N 441.536 1.992 30 10 IDEE C=CCSCCn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1508151392 CFKXXKCCSOZPNH-UHFFFAOYSA-N 428.609 1.782 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508160822 XGCNSOCXOBLUKF-CVEARBPZSA-N 429.612 1.609 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](OC)C(C)C 1519446917 IAOUOCLCIZSKKY-NBYUQASBSA-N 432.569 1.850 30 10 IDEE C[C@@H](Sc1nc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1)C(N)=O 1521758513 AHIROWXFDGANAN-MLGOLLRUSA-N 443.554 1.835 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc1 1525819106 IEAMROBOJHNEDN-RHJMSYDWSA-N 435.424 1.784 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 1539093709 CSFMNLMFCOBTOA-OAHLLOKOSA-N 437.595 1.080 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1539291996 YRTXHRHWAXOSEK-UHFFFAOYSA-N 449.559 1.624 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539435797 AYEKMOKQBCNJSG-MBSDFSHPSA-N 449.563 1.473 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540875746 WTHZYXDBCAFYOC-IAGOWNOFSA-N 443.460 1.282 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](N3CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876270 MDIMQGMNUYUFGS-AUSIDOKSSA-N 446.596 1.686 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC(C)CC2)C1 1540884048 JGJUGTZSWDBGJL-MSOLQXFVSA-N 440.614 1.402 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccs1 1540904292 LWJDQPZLKDYUTC-CQSZACIVSA-N 444.604 1.479 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1546204587 PZPQWSYEYDJWSR-QGZVFWFLSA-N 437.537 1.553 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(=O)N(C)CC)CCOC1 1547861361 GQSINCZWPUWTGB-QFIPXVFZSA-N 426.521 1.917 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCOCCCO)cc1 1555989754 RJTZKFATSPNHCO-MSOLQXFVSA-N 426.477 1.150 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)cc1 1557062619 LHYKSWSQSQBZKW-UHFFFAOYSA-N 439.534 1.253 30 10 IDEE COC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(F)c1 1557649522 PVVBCFRKHMDEEX-UHFFFAOYSA-N 433.461 1.747 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2ccccc2F)s1 1566348281 KJDVAPAYVMLJLY-UHFFFAOYSA-N 425.507 1.440 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1570238824 FJLZYIQMLZCDOC-FQEVSTJZSA-N 442.582 1.166 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2nc3ncccn3n2)CC1 1585533870 FJZPXQZBOKDFQK-HNNXBMFYSA-N 426.278 1.909 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)ccc2c1=O 1586025220 UMEVRKAXIKZZMO-CVEARBPZSA-N 446.529 1.581 30 10 IDEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@](C)(C#N)CN(C)C)c2)CC1 1586903528 GVGMSXYHDGURCB-IBGZPJMESA-N 441.985 1.240 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1587979784 ZUCJCKZRDHJVAI-CQSZACIVSA-N 441.517 1.087 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(C)(C)O 1608572001 RGSRUTRDAKSMPG-UHFFFAOYSA-N 426.525 1.171 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1611331022 HBJIMYVCYPDGFS-INIZCTEOSA-N 425.537 1.628 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1611476745 SAEHXEZATIDRMK-UHFFFAOYSA-N 433.468 1.755 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)C1 1612938959 UKXVVYSVHUEHAW-KUOYXJDGSA-N 441.536 1.628 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1613674734 FOMOQRQNCAIQJQ-SFHVURJKSA-N 447.561 1.903 30 10 IDEE CC(C)(CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)NS(C)(=O)=O 1616322465 DOZVHCXOADDSAX-UHFFFAOYSA-N 429.340 1.201 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)c1 1617818090 MGAXFWNTQCAOEF-QGZVFWFLSA-N 448.566 1.971 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1618107358 BSFFJGLAZZUIIV-QGZVFWFLSA-N 432.550 1.571 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(C)(C)O 1620017696 SVGCKPCCPHQFIB-KRWDZBQOSA-N 443.552 1.756 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCCn2cc(Br)cn2)CCO1 1620356755 HZLUPTBRSIDNTP-LSDHHAIUSA-N 436.314 1.908 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[S@@](=O)CC(F)(F)F)cc1 1622886900 XWUITYNDDIFNSU-AREMUKBSSA-N 427.470 1.926 30 10 IDEE O=C(Cc1ccc(Br)cc1)N[C@H](C(=O)N[C@@H]1CCN(O)C1=O)c1ccccc1 1624906624 OQYIVGKHEOUEGW-AEFFLSMTSA-N 446.301 1.955 30 10 IDEE CC[C@@H](O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)nn1 1626285483 LOQHZYIWPUCVOD-IHIJCHFRSA-N 448.549 1.894 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C[C@H](C)OC[C@H]1C 1629041123 CXXBBRAQJODALP-RYRKJORJSA-N 436.578 1.365 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(I)cc1F 1632875113 MHHDGIVEWNAPKO-SQFISAMPSA-N 429.189 1.687 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CN(c3nccn4nc(C)cc34)C2)ccc1F 1640703968 GBXRWZXVHAMTPU-UHFFFAOYSA-N 444.492 1.260 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 1643888478 DMUQBWRJSLXRNT-HXUWFJFHSA-N 443.548 1.882 30 10 IDEE C#CCN(C(=O)Cc1c(C)[nH]c2ccnn2c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1649384716 GZXZXJODXQAQNR-UHFFFAOYSA-N 427.505 1.735 30 10 IDEE O=C(c1ccc(S(=O)(=O)N2CCCC2)o1)N(O)CCCN1C(=O)c2ccccc2C1=O 1651220758 GKCKSEPDNGCAQN-UHFFFAOYSA-N 447.469 1.582 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H](CO)[C@@H](CCO)C1)CCCC2 1655897950 BMTKZSLQJZLQTF-BZSNNMDCSA-N 430.549 1.279 30 10 IDEE Cn1cc([C@@H]2CCCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)nn1 1656473776 FLZARVADGTZNES-WIYYLYMNSA-N 425.512 1.543 30 10 IDEE C=CCOCCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1674464717 QKNDVSQXXOBUNM-UHFFFAOYSA-N 439.557 1.579 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1690046402 BWNYVANXUKSGFM-OALUTQOASA-N 449.577 1.033 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 1690125956 QPIKULFGGWGAOG-UHFFFAOYSA-N 449.527 1.480 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOCC)C1 1690246368 SZZLNBUWBDCIDN-GNBUJSLZSA-N 433.553 1.842 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1690420925 UHZXXEJXYCTCTH-CABCVRRESA-N 426.587 1.548 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690675147 QDERSTYUKKJYQZ-IBGZPJMESA-N 436.560 1.861 30 10 IDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCCCS(C)(=O)=O 1693506436 CDCPAGBENACPQR-UHFFFAOYSA-N 430.578 1.995 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1697190427 SDTABIOWZYLELQ-HUUCEWRRSA-N 427.452 1.342 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1698303952 CSEJDUCUDDLSCP-UHFFFAOYSA-N 438.513 1.915 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698318460 ZTWNNEWGSCQHCR-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705566016 LIRNPCFEBOYXOG-OTWHNJEPSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1705581590 GEYYKQVMADFHDX-WZONZLPQSA-N 443.548 1.617 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1705582474 BOZGNCPIHUQIGN-LJQANCHMSA-N 431.562 1.574 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1705583405 XMJYNESGSORJCO-APWZRJJASA-N 426.498 1.298 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCCC2)CC1 1705642091 GRIGOLPFFHKMFB-UHFFFAOYSA-N 428.562 1.330 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCn1cccn1 1705697598 MSCJZOCMQNPZFN-ZACQAIPSSA-N 437.570 1.202 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1705843653 KPADNFQEDRHRTR-LJQANCHMSA-N 449.577 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C=C)CC1 1705930682 TVIJEQPVWLUVNM-UHFFFAOYSA-N 430.534 1.929 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C 1706462622 HEAWKZRFDJLRJX-UHFFFAOYSA-N 436.524 1.775 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1710972444 DAPXLRYCSZORIK-OAQYLSRUSA-N 445.527 1.937 30 10 IDEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C(F)(F)F 1711534746 MLODOVUQHBIHNZ-UONOGXRCSA-N 435.472 1.888 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1722278473 QHTDQGVZPPHDKG-OAHLLOKOSA-N 427.534 1.732 30 10 IDEE C#CCCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722339824 YIDWKECGJKRUBN-GHTZIAJQSA-N 434.562 1.359 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722367774 XRTMYGWDCSWYAF-IBGZPJMESA-N 430.578 1.231 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCS(=O)(=O)CC1 1722378040 LDBPNUJMBRIRNC-UHFFFAOYSA-N 440.525 1.614 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722390242 PJLMAQRVPYNNMO-GOSISDBHSA-N 429.546 1.739 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCn2cnnn2)CC1 1722430577 FRBCZSJXIWZELJ-HXUWFJFHSA-N 449.563 1.867 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722436801 GAGZBGVNPKKUIQ-GOSISDBHSA-N 442.530 1.885 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(COC(C)(C)C)on1 1722447353 KXDLFXQKJMBXCV-KRWDZBQOSA-N 430.509 1.667 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CCC)C(=O)C1 1722506670 VBRXKHGCDNSYLL-AVRDEDQJSA-N 444.580 1.830 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1722618426 RAYRCWPOSYSIHQ-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CCCOCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722626645 GVZFAEJTYUIIAJ-NRFANRHFSA-N 436.557 1.373 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCS(C)(=O)=O 1722660680 CJOBZRYMHLEZBZ-UHFFFAOYSA-N 435.525 1.777 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1722730923 HPQZIYAPUCWZNY-MRXNPFEDSA-N 435.550 1.728 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)C1 1726776286 TXGMELFEXGDOMM-LJQANCHMSA-N 426.521 1.975 30 10 IDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)s1 1727487593 HVDVLBGOAIFUBL-UHFFFAOYSA-N 437.533 1.740 30 10 IDEE CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727843818 ARDMUZOLSAUYNB-SZZPACECSA-N 431.522 1.389 30 10 IDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1729539981 PORBXRGDJREQKT-LJQANCHMSA-N 448.531 1.976 30 10 IDEE Cn1cccc1-c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCCO 1729588344 HUYQGOQYOFPRPL-UHFFFAOYSA-N 436.520 1.276 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740621943 QNZILEORMYVVAC-MSOLQXFVSA-N 447.561 1.106 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1740638335 GTWNQEHZZDWSFU-BZSNNMDCSA-N 440.548 1.948 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1740792099 FNBGIQGKQHWNOY-UHFFFAOYSA-N 444.536 1.903 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1740891151 SXGKHXXSOLNOHQ-MRXNPFEDSA-N 426.587 1.156 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1740957778 AOMPHROEPZSIQW-MOPGFXCFSA-N 443.596 1.480 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1740966656 VJAWYHXUVYKBSN-RCCFBDPRSA-N 432.569 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1740994244 LMBZUPIEUFZOQS-NVXWUHKLSA-N 437.566 1.005 30 10 IDEE CCc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744648633 ZEEHUYZZKGEHJV-SQJPUDIVSA-N 440.479 1.604 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1746280007 MQQQTMOVBFPPND-MSOLQXFVSA-N 437.504 1.810 30 10 IDEE CCn1nc(-c2nnc(N(CCC#N)CCOC)n2CC2(O)CC2)c2ccccc2c1=O 1746473371 XRQAUSOGWIOPLN-UHFFFAOYSA-N 437.504 1.566 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1748804216 FIDCXTKPTOSHSN-RXVVDRJESA-N 436.578 1.913 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1748814386 FDOQZIOPKHZWTG-PKOBYXMFSA-N 445.545 1.598 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1748836203 RTEPLVDITYATSN-LJQANCHMSA-N 443.515 1.252 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1749023669 UGOWNMAFVIWIMQ-ZDUSSCGKSA-N 425.605 1.879 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1749663729 OOVSGXOKBFNEFY-UHFFFAOYSA-N 433.516 1.928 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)C1 1749718280 UUAIUYQRADWRKD-SJORKVTESA-N 437.566 1.007 30 10 IDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@]1(C)CN(C)C1=O 1750919699 SKSZJCZLXNTKSK-HSZRJFAPSA-N 435.532 1.935 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1751090844 AYXXWGCVTMDNPL-AWEZNQCLSA-N 440.533 1.673 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760154341 CZRVICYOOIUALL-QYWGDWMGSA-N 449.577 1.697 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1760235644 SCIDSDFQOZEXTI-APWZRJJASA-N 445.545 1.674 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1760239191 ZHIJAFQUVGQCBX-IAGOWNOFSA-N 438.594 1.596 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760262446 ONZUNBKEDXYOFE-NRFANRHFSA-N 437.592 1.520 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCNS(=O)(=O)CC 1760288216 VFMDVOYQOAAGLL-HXUWFJFHSA-N 445.549 1.247 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCS2)CC1 1760402532 MJONCVAIIUNNDK-SJORKVTESA-N 441.623 1.909 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760501186 JATARNASXHWSLS-MSOLQXFVSA-N 449.577 1.892 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760522377 RWILBZBNIYAWFL-SFHVURJKSA-N 445.612 1.348 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760525436 GDEQCZLDQOXXKC-CHWSQXEVSA-N 440.595 1.194 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1760541497 CTJSPHHWYXKJMA-KZNAEPCWSA-N 441.523 1.919 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1760684475 AVXWNPJFWHEERX-UHFFFAOYSA-N 447.490 1.642 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760698398 IDQOLASPQOKRRX-LSDHHAIUSA-N 443.474 1.259 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1763723192 ULRROVRFETUPRI-CQSZACIVSA-N 425.493 1.232 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1764307272 HTRZCSNPLHZXSZ-JOCHJYFZSA-N 438.532 1.996 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCC[C@@H]2CO)CCOC1 1767424876 KPQJMPVYTWWRAO-OFNKIYASSA-N 446.596 1.907 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1769275033 GHMMJGDVFSOODL-AZUAARDMSA-N 428.512 1.960 30 10 IDEE COCCN(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1769782928 FEBGYVJKLJMXLJ-APWZRJJASA-N 432.500 1.864 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)ON1C(=O)c2ccccc2C1=O 1772788995 LJAGRNQDKFQLJW-HNNXBMFYSA-N 431.445 1.647 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCC#CCN1CCCCC1 1852724963 WIYUYYADLAZPFE-UHFFFAOYSA-N 428.352 1.333 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)C(=O)C2)C1 1853698304 ZYGDWWNMJHQPSO-HXUWFJFHSA-N 433.574 1.313 30 10 IDEE C=C[C@H]1CCCCN1[C@H]1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1854535401 CDTCJSNXXKXPEK-RDJZCZTQSA-N 431.514 1.389 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)c2ccccc2[N+](=O)[O-])n([C@@H]2CCS(=O)(=O)C2)n1 1870004631 GMUWMKPYDGQJGN-CQSZACIVSA-N 446.489 1.977 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN1CC(O)C1 1870391645 OYFSFPSYOJQKOI-UHFFFAOYSA-N 429.473 1.246 30 10 IDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(=O)n3cccc(C)c3nc21 1875238809 ZUESABYQVVBMML-UHFFFAOYSA-N 425.470 1.569 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)CC1 1892322667 HCLRKFSCGMKREX-UHFFFAOYSA-N 445.523 1.825 30 10 IDEE C#CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)C(=O)OC(C)(C)C 1985011882 TVIUKYGNXBLFAX-HOTGVXAUSA-N 425.526 1.591 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2010399211 QVOSDPQDIGYWLF-KBPBESRZSA-N 425.335 1.840 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085662679 AVUPVAZLLKRXNY-UHFFFAOYSA-N 433.314 1.738 30 10 IDEE C#CC(CC)(CC)NC(=O)CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195274263 SSHDMGLYZKYAFH-MRXNPFEDSA-N 438.502 1.089 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2244605337 NVBRLDLNBGMLQY-HNNXBMFYSA-N 425.526 1.733 30 10 IDEE C[C@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2248394700 BGJFIUQKPUBJND-NWDGAFQWSA-N 438.359 1.843 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248437966 RZOOGYHLWPHZJT-RYUDHWBXSA-N 438.359 1.701 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255608046 HCUJBUGSUCFHRC-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255645272 GMIRROCFQJCBSS-CABCVRRESA-N 432.330 1.951 30 10 IDEE CC1(C)OB(c2occc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255712090 IMKVHYWDKBQQKK-QHCPKHFHSA-N 426.322 1.946 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255813423 SGCYEZGYENZEGK-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE CON(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255831202 RMXFWOLGSSCFPG-ZDUSSCGKSA-N 436.318 1.722 30 10 IDEE C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255943223 QLRGNYGKOMIIQE-MRXNPFEDSA-N 449.382 1.681 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2267112307 DWZVGGRKRSGHRK-AWEZNQCLSA-N 449.361 1.491 30 10 IDEE CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267114980 FPLIEPQBPJRYSB-CQSZACIVSA-N 449.361 1.443 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267125893 IVRAXAVVQWSTDQ-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE Cn1cc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267185324 UFJKBPNOPKYSTP-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE CO[C@](C)(CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)COCc1ccccc1 2267572792 AAXOIEVABVLGLZ-JOCHJYFZSA-N 444.341 1.466 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2268635614 TWAIJOCFEWSOOB-UHFFFAOYSA-N 446.357 1.872 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)C(C)(C)C)NC(=O)OCc1ccccc1 2270519119 POHWMOULUQLADZ-MRXNPFEDSA-N 425.507 1.798 30 10 IDEE COc1cc(C#N)ccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286036549 NENMMLUVMZZTQA-INIZCTEOSA-N 433.442 1.688 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 2296611281 FQDJFNPQSFSDEN-FQEVSTJZSA-N 442.491 1.930 30 10 IDEE COc1nc(N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786340 KDERMZMSRBYBBR-CABCVRRESA-N 449.357 1.854 30 10 IDEE O=C(C[C@@H]1S/C(=N/NC2=NC(=S)SCC2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39886301 ZNQRWZDLHMBKPR-JTQLQIEISA-N 438.516 1.836 30 10 IDEE CCc1nnc(CNC(=O)CSc2nc(N/N=C/c3ccc(OC)c(OC)c3)n[nH]2)o1 59878553 KVXNVSYXIMSLCZ-DNTJNYDQSA-N 446.493 1.622 30 10 IDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(C(C)=O)CC3)C2=O)cc1 96573461 VIGPFNOGUJSRMI-QFIPXVFZSA-N 428.489 1.099 30 10 IDEE C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)nnc1-c1ccccc1 253570184 NGXXRSRVFXKJFT-UHFFFAOYSA-N 442.589 1.892 30 10 IDEE O=[N+]([O-])c1ccc(/C=C\C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 254507421 QIDAZPCGULXQRX-SLJZUAOWSA-N 440.464 1.564 30 10 IDEE CO[C@H](C)c1nc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 437711285 SNEISLXDSYWNDP-CQSZACIVSA-N 449.558 1.938 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F 441899822 KGOOZENVGPPHIN-CYBMUJFWSA-N 432.481 1.040 30 10 IDEE CCOC(=O)CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCC1 466283438 PWDOWQCJSMPEBK-UHFFFAOYSA-N 433.530 1.903 30 10 IDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 479869902 BGJAGXDDEAQQAX-UONOGXRCSA-N 435.527 1.506 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 482808663 DCQAYJCXOCGPSD-RDJZCZTQSA-N 428.514 1.629 30 10 IDEE Cc1ncc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1C#N 489075623 OGEIRKUPIJNYGA-CYBMUJFWSA-N 427.486 1.646 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 497577020 XTPDEHFUGOYWGR-UHFFFAOYSA-N 428.514 1.914 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 506965451 WGAFQBSHHRNHML-UHFFFAOYSA-N 442.545 1.780 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCC)C2CCN(c3cc(C)nc(C)n3)CC2)C1=O 509787374 GNPRGYZFQGTJHV-UHFFFAOYSA-N 442.520 1.278 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(CNS(C)(=O)=O)CC1 510192616 NOGJAOCXCCMYMC-UHFFFAOYSA-N 439.582 1.213 30 10 IDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)n2)c(Cl)c1 541145163 FNXBZQHSRPNNTP-INIZCTEOSA-N 427.770 1.862 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1=O 542157041 KXCPIJKNHJYHLF-LJQANCHMSA-N 436.516 1.754 30 10 IDEE CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 549458722 BUXPYFLBNZZFPT-GOSISDBHSA-N 432.550 1.775 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 549681883 RXCXABUQBJOUDB-DLBZAZTESA-N 437.570 1.183 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCOC2)CC1 555518928 OJKJQDUEVZKDKP-SFHVURJKSA-N 442.539 1.469 30 10 IDEE COC(=O)CCN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 610799661 PDXUHUQQGQJEIJ-INIZCTEOSA-N 429.498 1.817 30 10 IDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 618890150 CIYHLEIOCOCMJD-FFGOWVMKSA-N 429.542 1.771 30 10 IDEE N#Cc1cccc(-n2ccc(C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)n2)c1 619616394 KNQOQLYVQZGRAZ-UHFFFAOYSA-N 436.497 1.354 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)C)CCN2C1=O 619849426 FJPKDTBEKIFWBC-SFHVURJKSA-N 437.504 1.857 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2cccnn2)CC1 725736214 DZXHQCIBLDMICI-KRWDZBQOSA-N 442.545 1.423 30 10 IDEE CCOC(Cn1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)nn1)OCC 726944047 QMCHCRQSNFMGIZ-QGZVFWFLSA-N 444.517 1.703 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 731974653 BYMIQUXFTVVTAI-HHSXEJBASA-N 441.513 1.906 30 10 IDEE N#CCN(C(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 746741843 DKEOXYCRTAEENB-JOCHJYFZSA-N 446.463 1.562 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl 747250360 KJOHEFMOZOMLGM-JTQLQIEISA-N 440.326 1.591 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccnc(O)c2C1 757648768 UQLITNFIEABEES-KRWDZBQOSA-N 428.514 1.825 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CCc2nnnn2C)C1=O 771541455 MBNWFIXQGCHBHL-GFCCVEGCSA-N 442.332 1.827 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774221351 WUSNBYWITRYNLL-GDBMZVCRSA-N 445.463 1.996 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 780204214 HGNLELZFPVKDDL-APWZRJJASA-N 448.522 1.412 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 800776880 KGMGMIXXFWTROK-UHFFFAOYSA-N 436.520 1.951 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 801712600 LXXRZUXZFBRVFS-IBGZPJMESA-N 430.571 1.816 30 10 IDEE CC(C)(C)c1nc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cs1 920394957 ISBRVFTUYDDMER-UHFFFAOYSA-N 429.571 1.023 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)c2C#N)C1 1131403304 LIOLTFDFUDKSBQ-XUSGNXJCSA-N 443.529 1.964 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CCC(=O)OC)CC2)cc1 1132451350 BSVHUXPHECNHHF-UHFFFAOYSA-N 437.518 1.401 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(c3cnc(O)nc3N)CC2)CCCN1C(=O)OC(C)(C)C 1138275903 KTRKDOVKTBXBCO-NRFANRHFSA-N 430.509 1.206 30 10 IDEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 1141968108 HRSFCFJIUPKCSG-ROUUACIJSA-N 435.351 1.322 30 10 IDEE C#CCN(CC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C(=O)OC(C)(C)C 1146206511 HWIQUYUJBTVVKR-HXUWFJFHSA-N 440.544 1.806 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC1CCN(Cc2ccncc2)CC1)c1cc[nH]n1 1146343678 CTAMMVSAUMAHFS-UHFFFAOYSA-N 428.493 1.117 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCOCC3)nc2C)s1 1150014993 SOJDMJDSBPENQE-UHFFFAOYSA-N 436.559 1.934 30 10 IDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)C1 1154867979 WPGOLERACVESNW-UHFFFAOYSA-N 429.336 1.997 30 10 IDEE N#Cc1ccc(C2(C(=O)N[C@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)CCCC2)cc1 1158181480 FTPFVWPCKFQOAV-JGCRXCKMSA-N 429.542 1.698 30 10 IDEE CCn1c(CCC(=O)NCC#C[C@@H]2CCCCO2)nc2cc(S(=O)(=O)N(C)C)ccc21 1158986298 JLIDCMOPKVLHPL-KRWDZBQOSA-N 446.573 1.928 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 1165935003 FMZLVXLJZOGKSI-SBUREZEXSA-N 439.516 1.967 30 10 IDEE Cc1sc(NC(=O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c(C#N)c1C 1171785402 FIODXAVMXANOHB-UHFFFAOYSA-N 447.586 1.827 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)CC1 1175515291 VTRYOATZNBIKJP-UHFFFAOYSA-N 448.545 1.210 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1233850695 CTOKLBMSPIFSSR-PEBVRCNWSA-N 433.431 1.455 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 1286361303 NKQMRGKQFUGOJS-QGZVFWFLSA-N 444.605 1.795 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286392259 IEQMAKUFZGOZQW-ARFHVFGLSA-N 428.505 1.844 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 1286397824 UZPUWSIHTZRWHX-HNNXBMFYSA-N 434.547 1.199 30 10 IDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286413783 ZHZQRVOVSYZFSH-QFIPXVFZSA-N 426.542 1.076 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(=O)N(C)C)c1 1286458692 BNUYSHZWVOIFMA-UHFFFAOYSA-N 435.532 1.709 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@@](C)=O)CCC1 1286466787 NFUJLALMYDPQOJ-WJOKGBTCSA-N 440.573 1.904 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1286466875 KQSNSBNUFDDCJQ-GOSISDBHSA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(S(C)(=O)=O)CC2)CC1 1286479577 VMKBHJRFLUAZJT-UHFFFAOYSA-N 427.574 1.510 30 10 IDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C)C1CC1 1286736307 DCEYBCQKGCCJCK-MRXNPFEDSA-N 434.541 1.830 30 10 IDEE C=CCn1c(N2CCN(c3nc(C)cc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286777833 NCGDUNJBRFASFQ-JOCHJYFZSA-N 443.552 1.940 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C(=O)NC)CC1 1286789347 RAYBRIIIZLPTTD-UHFFFAOYSA-N 426.521 1.142 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C1 1286858222 FICWVXIHOVNUOH-DOTOQJQBSA-N 429.912 1.981 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)s1 1292433891 ZEMRBSTUFYCSLZ-KRWDZBQOSA-N 433.555 1.672 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)CC2CC2)CC1 1300711326 AAPQJJAVBGEIHE-INIZCTEOSA-N 435.594 1.582 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2CCS(=O)(=O)CC2)CC1 1300724670 BEWASOYBELXVIK-UHFFFAOYSA-N 449.621 1.657 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1300760382 AEAILKUIJAODMB-FGTMMUONSA-N 435.594 1.516 30 10 IDEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1301168912 WPKUMRHBNNEPTG-HXUWFJFHSA-N 439.582 1.246 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301498615 RHBAPJPKXGEANT-UHFFFAOYSA-N 426.569 1.684 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301500397 LZVFXYJGJCDTGS-ROUUACIJSA-N 432.569 1.463 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1301515843 ZRRVBCJEIMPQPS-UHFFFAOYSA-N 444.511 1.603 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1301547241 XTLWSAVVNAORRY-GOSISDBHSA-N 437.504 1.888 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1301558928 MENBNLGKSVRJJP-UHFFFAOYSA-N 434.500 1.321 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1301817860 HGZXYHZGQSTMFC-OALUTQOASA-N 435.532 1.836 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CC1 1302483237 FNLZLUVXOJQSKH-UHFFFAOYSA-N 443.558 1.840 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1303488446 AOMCGZSILZEGOY-YLJYHZDGSA-N 437.566 1.493 30 10 IDEE Cc1nc(CC2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)no1 1303910626 BQVKPXBAVCVDFT-GOSISDBHSA-N 436.472 1.936 30 10 IDEE Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1304546203 DWRADLNZKRGUFW-KHOFPDMRSA-N 436.516 1.929 30 10 IDEE COc1cc(Br)cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1313266391 ACPSKPCFPDLMOZ-BLLLJJGKSA-N 428.308 1.537 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2COCCO2)CCO1 1316535002 ASPRBTMGVOQSBO-HOTGVXAUSA-N 434.294 1.852 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(F)c2F)C1 1324332497 DSVFITGGFSWFRI-SMDDNHRTSA-N 439.488 1.836 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1C 1359015401 RZESACVKPNXWNV-UHFFFAOYSA-N 445.462 1.881 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@H]1OC 1359021417 NXSUMTASITVZRF-WIYYLYMNSA-N 442.516 1.854 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC[C@@H]2C)CC1 1359038010 HJCXFJHFDXNURY-FQEVSTJZSA-N 427.597 1.420 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1359240463 OVTSFBQWHOQVHV-YESZJQIVSA-N 427.571 1.294 30 10 IDEE C=CCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359290731 NYNNNVSYDSGYIL-IERDGZPVSA-N 437.541 1.846 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1359300525 DVMAWCYQSAKFFY-OWCLPIDISA-N 441.623 1.593 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359302040 VMTQQMNUSHYZQL-UHFFFAOYSA-N 445.612 1.350 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1359570469 DKFNRGLTRCSSBO-VLIAUNLRSA-N 435.504 1.976 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)s1 1454255362 KATWJCWWNPBWJY-UHFFFAOYSA-N 430.555 1.975 30 10 IDEE COc1cc(N)c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1S(C)(=O)=O 1463875498 WXJPVHNRIHWOLL-UHFFFAOYSA-N 432.477 1.654 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OCC 1464259339 SGDXCOXEOXHFQJ-OAHLLOKOSA-N 428.894 1.666 30 10 IDEE C#CCN(C(=O)Nc1cc(C)n(CC(=O)NC)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1466062875 VPTWAUCMNRZZDE-UHFFFAOYSA-N 432.525 1.804 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)cc1 1469404139 YWURMLNHEHWPIB-SFHVURJKSA-N 447.532 1.933 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 1473615578 FCLCTDJVRZRCHJ-YLJYHZDGSA-N 426.517 1.739 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1 1475774894 UGMPEIIXSFIMOQ-NDEPHWFRSA-N 442.607 1.578 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCS(=O)(=O)C1 1479232918 BBHQQECKFFPGQR-NHUHVJRWSA-N 440.562 1.488 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H](C)N2CCCCC2)CCOC1 1502728100 GEWHYGREUWCIQE-NNMXDRDESA-N 432.569 1.923 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1503258850 FRVOKYWZRVUZKC-QGZVFWFLSA-N 433.534 1.636 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)cn1 1504899372 QYZHBTQBSKPDDG-MRXNPFEDSA-N 428.884 1.613 30 10 IDEE CSC[C@H]1CCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1505229996 VUPUYPAQDXABRU-NZKCYVOASA-N 432.550 1.988 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1507572405 INVYLIVWXYZMKC-CVEARBPZSA-N 426.525 1.334 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507609092 WRPAHFPUWNQRQH-GOSISDBHSA-N 433.516 1.695 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507633119 BGOOQQLEAGWUMI-SFHVURJKSA-N 440.529 1.544 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1508086322 KOSSFPASPRUJAY-IBGZPJMESA-N 438.532 1.888 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C)CCC1 1510197332 VPGNFSTYEWRENT-ZDUSSCGKSA-N 445.549 1.613 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 1512422667 VMCWZCAMJSRDFY-HZPDHXFCSA-N 445.545 1.370 30 10 IDEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cnnn1 1513686398 POLUKQNAPKVFRH-HXUWFJFHSA-N 425.472 1.938 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1516793442 GZEOXHIHADOQJQ-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE Cn1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)cn1 1517379569 GRKJQIIIMMZXBQ-UHFFFAOYSA-N 425.518 1.870 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CCO1 1517533238 DUSNSBFCEKANRP-IBGZPJMESA-N 434.504 1.363 30 10 IDEE COCCN(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1519113709 FKRJFSQTLAJNMK-MRXNPFEDSA-N 438.536 1.509 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2Cl)CCO1 1521128956 HVXCOASNOMWDCU-JKSUJKDBSA-N 435.937 1.805 30 10 IDEE N#CCNC(=O)CNC(=O)Cc1ccc(I)c(Br)c1 1525610686 RWDWSVCFPAIJQR-UHFFFAOYSA-N 436.047 1.352 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C(=O)N1c1cnn(C)c1 1531488322 ADUMDSGLGRZXOT-RVZJWNSFSA-N 440.891 1.608 30 10 IDEE CC(C)(C)CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(N)=O 1538768102 JCARZPPOYQKUNX-SFHVURJKSA-N 434.562 1.755 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1539016096 SXAIZHKVKJFWKN-GDBMZVCRSA-N 444.540 1.714 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1539094459 PZIZEWYBIKZMTQ-SJORKVTESA-N 446.581 1.197 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1539210377 DLLARIJBOQKOKU-QGZVFWFLSA-N 425.518 1.172 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1539212792 SWUZEQRKKOFPLD-INIZCTEOSA-N 448.545 1.626 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2sc(C)nc2C)CC1 1539447485 SMYRXIKDYRIKKO-KRWDZBQOSA-N 448.618 1.251 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1539632208 QCXCIOULVBUDON-BQFCYCMXSA-N 439.582 1.122 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539812746 SRGKMXMYEBJXPL-LBPRGKRZSA-N 430.987 1.856 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1540857445 XOZQPUXCQLCZPI-QGZVFWFLSA-N 430.534 1.067 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540871906 WZTIGXUZRBGWMA-OAHLLOKOSA-N 433.582 1.088 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(OC)C1 1540907304 RQNVVGFRSIZDHG-LJQANCHMSA-N 425.555 1.007 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(C)CN(C)C1=O 1541684886 LIISVWYNULKNBN-STSQHVNTSA-N 435.532 1.638 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)CCCO2 1541928209 XWGODWCLHSUWRP-JLTOFOAXSA-N 448.524 1.704 30 10 IDEE COc1cc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc(OC)c1OC 1542479518 OMDRUSLMOPOVCL-DLBZAZTESA-N 443.456 1.681 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H](C)N(C)C)n1 1543065558 JDDVRGCXZFXYCR-LJQANCHMSA-N 448.579 1.683 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1554385575 DMSCKXHCJZHNFO-HNNXBMFYSA-N 435.488 1.658 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1 1555524374 FCGUAVUPLLZLTB-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCSCCCO)cc1 1555989384 JHDAOFPLXWJURN-QGZVFWFLSA-N 428.518 1.573 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1556286886 CLODHJVEUYAMFG-BNGSBABLSA-N 448.564 1.869 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1558067227 UQBTZLHWAWNUOA-NRFANRHFSA-N 433.509 1.610 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 1560057793 DAUFJMUJQZUAIR-GJZGRUSLSA-N 439.559 1.681 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CCO2 1565340490 GJKVIRZSDPMZOF-XLLHFJCQSA-N 426.517 1.907 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)s1 1583943959 XRGFJYHJDAFTEX-UHFFFAOYSA-N 427.592 1.862 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1c(C#N)c(C)nn1C 1586990815 GCFUBNBZSZUTBZ-UHFFFAOYSA-N 446.533 1.187 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(OCCOC)CCOCC1 1587663317 WZRSNRBUEOUJMO-SFHVURJKSA-N 430.553 1.810 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2Cc2ccccc2)CC1 1588733663 XVDYJGYXSGKVLK-QFIPXVFZSA-N 449.603 1.836 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@H]2COCCO2)CC1 1588780813 XDNZUOKUUHUPML-IBGZPJMESA-N 441.532 1.523 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595522320 BSUVRHCCZXPZTO-UHFFFAOYSA-N 439.564 1.815 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595884097 HOXNFPRIVQYDGB-HUUCEWRRSA-N 427.596 1.062 30 10 IDEE CC/C=C\Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1614291012 QCVYAJAOBFPVND-CHYADLBTSA-N 435.536 1.743 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)c1 1615928381 BCPLCGSINBABQQ-UHFFFAOYSA-N 444.495 1.783 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1620350893 RKENVEJULBGRPL-XDOYNYLZSA-N 447.499 1.552 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cn1nc(Br)c(Br)n1 1632218730 IPAWOSBBCWLWRK-LLVKDONJSA-N 443.099 1.867 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)CC2)C1 1636304230 JQEQZOGEZVGYLY-SFHVURJKSA-N 434.514 1.622 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1639050689 YIJDTPCASYZVSO-UHFFFAOYSA-N 441.465 1.377 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1 1643000233 QQTBTDXQLQLFCN-UHFFFAOYSA-N 425.510 1.778 30 10 IDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NCC#C[C@H]3CCCCO3)ccc21 1649135700 YCZUDNVPQJGRNN-MRXNPFEDSA-N 427.505 1.645 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1653797449 AIZCLMOPVWDPOA-DYVFJYSZSA-N 432.420 1.914 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(C(=O)NCCCO)CC3)CC2)c1 1674055573 OUUFDMHAHCDSLZ-UHFFFAOYSA-N 427.549 1.443 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1689829355 XMUYAYDUYPYOLR-QWHCGFSZSA-N 426.930 1.474 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689993494 FMAKBVQLBUSVOK-FUHWJXTLSA-N 434.587 1.984 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1690108418 YGDTUVDNDBVVPI-CALCHBBNSA-N 448.568 1.613 30 10 IDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1694395017 BWZFKLAHHCZVOU-WOJBJXKFSA-N 437.548 1.848 30 10 IDEE CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694726419 YBFJXVUVIDKPEK-MSUUIHNZSA-N 441.458 1.441 30 10 IDEE CS[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1698344230 CIDSORCEFFEECZ-MRXNPFEDSA-N 440.577 1.745 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(N)=O)c2)C1 1698486075 GYSOMNPABZCZOT-QFIPXVFZSA-N 435.463 1.618 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1oc(CC)nc1C 1705576459 LGEJRYOJJALHQT-UHFFFAOYSA-N 427.472 1.901 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1cccc(C)c1 1705902817 KBSNHBRMPDKOHV-KRWDZBQOSA-N 447.561 1.306 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1705905338 RYQBTIYTTXKGIK-IBGZPJMESA-N 426.565 1.636 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705942868 HLWOWBDVEGWFDP-GOSISDBHSA-N 428.610 1.871 30 10 IDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705949453 ZBEMHVABBLUEOI-QGZVFWFLSA-N 439.545 1.862 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1706058418 ADWSWHYATVZMJF-QHCPKHFHSA-N 448.531 1.828 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C1 1711339058 AJXAZCROZMXTLG-GOSISDBHSA-N 435.532 1.838 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1712692589 YVNPRXLXHNESFV-ROUUACIJSA-N 431.518 1.246 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722340935 NBKKMMNCNMZSOI-QZTJIDSGSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1722360551 AKIFPIDGDIZJPS-SFHVURJKSA-N 425.518 1.254 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722370842 QVGXDXMXICEOKS-SJLPKXTDSA-N 432.550 1.155 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@H]1CC 1722502338 IGCUGQLUUIVHLQ-GGPKGHCWSA-N 427.553 1.836 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1722507477 PIZJYJKXUFAFCH-CTNGQTDRSA-N 439.564 1.579 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722523109 ARVRJRAVKMAPMO-GOSISDBHSA-N 433.582 1.202 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(COC)CCOCC2)CC1 1722560439 ZVBQUFPNVUSRHY-INIZCTEOSA-N 427.571 1.488 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](SC)C1 1722727987 SGFXEEAQEAJVQT-CABCVRRESA-N 427.596 1.552 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2c(cccc2OC)C1 1722728342 QHEYBVMOQCMFIC-QGZVFWFLSA-N 432.546 1.954 30 10 IDEE CN(c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1729366291 GUAGDYFCQYOQEE-AMGRQBIBSA-N 428.518 1.682 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC[C@H]1C 1730403914 GXFHAUYIOWYHLH-PERKRYKHSA-N 427.505 1.741 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1730635454 UOZVJZKQRPTLEK-ISJRUSPKSA-N 438.532 1.760 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CC2)CC1 1730813535 JRKAIVAZVASENV-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCCC2)CCO1 1731185670 BKGONKAHHXPGDW-MRXNPFEDSA-N 425.493 1.739 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C1CC1 1740629896 AFTORVYZOVUNJJ-QFIPXVFZSA-N 441.557 1.429 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1740654731 SXBRKBQMVKUUQI-UHFFFAOYSA-N 437.454 1.821 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCN(CC)S(C)(=O)=O 1740734254 WQCCQJRQWVJXBK-OAQYLSRUSA-N 447.609 1.803 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1740948503 JIVIINSNDUNVJR-UHFFFAOYSA-N 443.596 1.357 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740955407 UAIRITBNQGGBRN-KGLIPLIRSA-N 449.533 1.234 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740993869 FGGUPCNPGJJXIH-QGZVFWFLSA-N 431.562 1.331 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCS(C)(=O)=O 1743676923 GOTJVJVSIYMZNW-AWEZNQCLSA-N 448.549 1.388 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1748804055 CMCAZUKGJODIIT-YLJYHZDGSA-N 434.518 1.198 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1748828808 MLUPTLDCIFSHBP-HSZRJFAPSA-N 449.536 1.424 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C1CC1 1748960970 SNWRCKPCAMFYHE-KRWDZBQOSA-N 449.559 1.761 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1749119054 MQPDDFVIKMYXNY-ZACQAIPSSA-N 439.582 1.629 30 10 IDEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1749280281 GEDJPPGRRYMGNQ-UHFFFAOYSA-N 435.912 1.913 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CCOCC2)CC1 1749658189 HSSHPJIPDGRQLK-UHFFFAOYSA-N 449.559 1.668 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749664710 XRRCEKOGPDZEOJ-GJZGRUSLSA-N 435.550 1.514 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(O)CCOCC2)C1 1749721410 JBCZAUDAJSLMKZ-OTWHNJEPSA-N 436.553 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC 1749730393 CCFDNTVEZPWAAZ-UHFFFAOYSA-N 440.595 1.685 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](COC)C1 1749736426 ISICOVRVVKODSU-MRXNPFEDSA-N 441.579 1.086 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1750005617 CFFJOTUVQWFAIA-HOTGVXAUSA-N 438.529 1.646 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1751093246 LZGCBQNMRKAYOX-CVEARBPZSA-N 429.525 1.591 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1751981394 GWYPGSVLJIYXTJ-OAHLLOKOSA-N 442.545 1.308 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC 1760173293 QDGDAPNXKZXGQR-UHFFFAOYSA-N 432.550 1.037 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1760183785 SYXYVBBTTZORTE-KRWDZBQOSA-N 437.610 1.049 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1760219362 CEADVZKHLNIVSW-KNKQGSTJSA-N 446.573 1.371 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C1OCCO1 1760243374 HPUQWZGADVTLHP-UHFFFAOYSA-N 439.516 1.694 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CC2)CC1 1760267022 RNFHIAORYDSINU-UHFFFAOYSA-N 447.337 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC(N)=O 1760553114 LOFKVHHAVBRQHT-CQSZACIVSA-N 449.533 1.017 30 10 IDEE Cc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1762249927 COVQOQSAZNRNBF-MEDUHNTESA-N 427.531 1.452 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1763200998 DPLCIYKNKNUCOE-WMZOPIPTSA-N 442.545 1.356 30 10 IDEE CC[C@@H](C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763828241 RPEZWRWBWIRVOO-YGSCGBHVSA-N 441.536 1.280 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766752052 RTFGJELZTKBGED-FZEVHQGJSA-N 443.577 1.534 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1766988245 QPOCVGMVRGAWED-DLBZAZTESA-N 445.593 1.675 30 10 IDEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769374096 SFJJDNGJZKSLNC-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1770318210 VVBBJXYZXLXJQF-LJQANCHMSA-N 426.546 1.702 30 10 IDEE COC[C@@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1770723392 GUFDYVVCVYFFRU-HOCLYGCPSA-N 431.493 1.982 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1771366801 BVILDRFYZIMICS-WMZOPIPTSA-N 446.533 1.036 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CN(c2nccnc2C#N)C1 1849792038 SKINVPDGXAXMDB-UHFFFAOYSA-N 440.529 1.484 30 10 IDEE CN1CCCC[C@@H]1C(=O)Nc1nc(N2CCN(c3ccccn3)CC2)c(C#N)cc1C#N 1851397731 RJSJYGUFZMUJGN-LJQANCHMSA-N 430.516 1.969 30 10 IDEE N#Cc1ccnc(N2CCN(CCNC(=O)[C@H]3Cc4c(ccc5ccccc45)O3)CC2)n1 1851865994 VVZAOELRQCLCCT-JOCHJYFZSA-N 428.496 1.743 30 10 IDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cccc(OC)c4)n3[nH]2)CC1=O 1852237171 JKYQJRFBYJRWPK-CABCVRRESA-N 436.472 1.668 30 10 IDEE C[C@@H]1C(=O)N(C(=O)CS(=O)(=O)c2ccc(F)cc2)CCN1Cc1ccc(C#N)cc1 1855645044 YNLWCOXSXBEZAH-OAHLLOKOSA-N 429.473 1.731 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@H](C(=O)Nc4cccc(C#N)c4)C3)ccc21 1858413707 LQWYKCNUFZZODM-AWEZNQCLSA-N 426.454 1.652 30 10 IDEE C[C@@H]1CN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@@H]3CCS(=O)(=O)C3)n2)C[C@@H](C)O1 1869951549 WBENYRLKTUUABM-CKEIUWERSA-N 444.517 1.375 30 10 IDEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN1CC(O)C1 1870589903 NBOZDQHDAJPPSD-UHFFFAOYSA-N 429.429 1.565 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)CC1 1889619444 PTKIXPPRGIFFLR-UHFFFAOYSA-N 433.618 1.947 30 10 IDEE C#CCN(CC(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1993455756 DPYBKQHBPZEWIL-NRFANRHFSA-N 425.526 1.735 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107465141 BJRUGUVIQRMNKC-IWIIMEHWSA-N 432.149 1.895 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124519428 JRCNOZYKTAIANZ-MAUKXSAKSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255597049 OKTKLKZBVDFWHK-KBPBESRZSA-N 432.330 1.933 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255624056 VMXFPHHTZACMIE-HNNXBMFYSA-N 436.362 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC2)C1 2255631331 XBFSTNQKLOQDPV-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE Cn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2255653074 DOSSLJGHVYKTGD-CFVMTHIKSA-N 432.330 1.457 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255816147 ZQPHBMWUSMECNN-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)CC(C)(C)O)n1 2255933351 OCMSNWUBVOBFDA-UHFFFAOYSA-N 449.382 1.681 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)n1 2267115578 JSIGBFNNDPKGLF-MSOLQXFVSA-N 437.353 1.461 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1 2267117196 RMHRCLRDOHRAAW-RDBSUJKOSA-N 447.345 1.242 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267518554 CRYCLTJXUXLKSF-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267521642 SWCLFPJTGVHGOB-KBMXLJTQSA-N 446.357 1.847 30 10 IDEE Cn1nc(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2267541790 ITRPSSSJLJZCBE-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267876695 OPIOZCWJNUVAKX-PEBXRYMYSA-N 444.341 1.905 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)c(C)n1 2296620591 LVQRDRYTPDRXQI-HXUWFJFHSA-N 437.500 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2356120312 IVTTZJUPCSRYDS-RBSFLKMASA-N 440.294 1.990 30 10 IDEE CSCCCn1c(=O)/c(=C\c2cnn(C)c2)s/c1=C(/C#N)C(=O)c1ccc(F)cc1 10295675 ZQIMFHYTOCTGLP-WSQIPBOGSA-N 442.541 1.921 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccco1 460548208 YKINNVAAXIIVIK-KRWDZBQOSA-N 439.538 1.433 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)cn1 462102978 OLCUVUMKNVJBID-UHFFFAOYSA-N 431.456 1.933 30 10 IDEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)n1 466106594 JRTCULUHGVJDFM-INIZCTEOSA-N 428.493 1.945 30 10 IDEE Cn1cc(C[C@@H](O)C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 468800086 CQGKQJRELIPQJP-QZTJIDSGSA-N 432.322 1.495 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OC)c2ccc(OC)cc2OC)c1 472640171 QMTLBPYHLWKICS-IBGZPJMESA-N 448.497 1.812 30 10 IDEE CO[C@@H](C)c1noc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 477249944 JLUGYUVKSJFRBZ-AWEZNQCLSA-N 447.517 1.708 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 478435687 PINLSPAAZCYYKV-HNNXBMFYSA-N 437.518 1.043 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 481042300 CNKLIXCHDVHCCS-UHFFFAOYSA-N 432.433 1.893 30 10 IDEE COCc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)no1 502021314 YBQJWNTUBUGAAK-GFCCVEGCSA-N 432.380 1.869 30 10 IDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 508857130 NFLCYKQRBIGZEX-UHFFFAOYSA-N 432.467 1.968 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508955764 JOXQNLVPSSDQOV-OAHLLOKOSA-N 442.545 1.732 30 10 IDEE COc1ccc(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 511733327 FECJZQOCVUXPCQ-SFHVURJKSA-N 447.488 1.779 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)cc1 514523076 UTKXFRPECSCZIQ-IBGZPJMESA-N 437.565 1.959 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCSC)c2=O)c1 537396159 ZVTLAXPEFFYSAS-UHFFFAOYSA-N 432.571 1.013 30 10 IDEE COc1cc(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1C#N 570016088 JHDIMAJFGATIRP-UHFFFAOYSA-N 438.513 1.664 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(OC)n3)c2=O)cn1 571468648 ZGGDZKGNCFBPGV-UHFFFAOYSA-N 435.509 1.391 30 10 IDEE N#Cc1cc2c(nc1N1CCN(CCn3nc(-c4cccnc4)ccc3=O)CC1)CCC2 585588644 QCARQMGJOPJGRQ-UHFFFAOYSA-N 427.512 1.883 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669803277 CVOCPNDDVYQJOH-KRWDZBQOSA-N 437.504 1.806 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC(C)C 730141117 MZEXDLMHZKHACC-QGZVFWFLSA-N 433.578 1.519 30 10 IDEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2C2CC2)C1=O)NC1CC1 742215059 QWCZBBWVWGFKQO-OAHLLOKOSA-N 429.481 1.948 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccc(F)cc1 743725782 ZTDHFDIKOHWZFE-UHFFFAOYSA-N 428.514 1.832 30 10 IDEE Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 750413145 AALIUJOEFBNNIZ-VCHYOVAHSA-N 426.433 1.637 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)C1CCCC1 756911007 JXUVVZIMUICPBF-UHFFFAOYSA-N 425.501 1.676 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CC1 758660628 IIBMLAKPOBUSAU-UHFFFAOYSA-N 447.495 1.151 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc3cnccc23)c1=O 782926144 OVJUGJJJDLASJJ-UHFFFAOYSA-N 446.557 1.170 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1 789317246 JYXCXWPFHKZSBU-INIZCTEOSA-N 441.488 1.473 30 10 IDEE CSCCNC(=S)NN=C(C)c1ccc(Br)c(S(N)(=O)=O)c1 797401302 HJGWVVJVUFMDBL-UHFFFAOYSA-N 425.399 1.648 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)F)CC1 808759061 LDEYHOAQXIRRBY-IRXDYDNUSA-N 443.539 1.865 30 10 IDEE CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C 915270385 VOFQEIBQORYONB-INIZCTEOSA-N 440.591 1.734 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccccc1C 917357020 YSZZVCMOACCSNN-UHFFFAOYSA-N 433.537 1.363 30 10 IDEE CS(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 1127651623 FCMAFKQBSLVCTF-UHFFFAOYSA-N 448.526 1.396 30 10 IDEE Cn1nc(Br)cc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1129308386 DGCYRSCMIHLZJU-LBPRGKRZSA-N 431.250 1.898 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 1136575176 NCNXTZGAMMFYCT-KRWDZBQOSA-N 426.564 1.409 30 10 IDEE NC(=O)[C@@H]1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@H]1C(N)=O 1168320191 XLUBJSFTUVYGCX-NXEZZACHSA-N 429.292 1.635 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CCO2)cc1 1179405993 UMYLVXZPWOKFJE-UXHICEINSA-N 446.463 1.388 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(Cc2cncc(C#N)c2)CC1 1191939913 XXQHLGYXZHJUKW-UHFFFAOYSA-N 434.543 1.172 30 10 IDEE N#C[C@H]1CN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CCN1Cc1ccccc1 1265115355 IJUHQFAKINOWBT-MJGOQNOKSA-N 444.582 1.824 30 10 IDEE CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 1265539347 GEFOVWALBHBXGK-UHFFFAOYSA-N 426.458 1.632 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H]12 1279678771 WPCVSBCVKCAXIN-JONQDZQNSA-N 429.539 1.234 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1286298329 IKGSNVWEFHFCGK-YJBOKZPZSA-N 429.546 1.388 30 10 IDEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286324535 OFGDASLOOZVSFN-UHFFFAOYSA-N 428.581 1.720 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389485 KXRFHOCLNUEXAX-OALUTQOASA-N 441.557 1.489 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1286458580 YWKLNAMVROZXSG-IEBWSBKVSA-N 448.520 1.375 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286505843 BPTSDHBEXZBZEX-KRWDZBQOSA-N 441.623 1.746 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286505974 CWZKXWWDLVWDCW-LJQANCHMSA-N 446.621 1.283 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1286509475 RBXPWCVHWXBLEC-KRWDZBQOSA-N 447.586 1.282 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1286522051 GAGMUJMKHKBZRL-OXQOHEQNSA-N 433.578 1.479 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNC(=O)C(C)C 1286549486 WEXBTENZQLLPLF-MSOLQXFVSA-N 432.569 1.704 30 10 IDEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286611449 KSXOZOIDJOXJAG-UHFFFAOYSA-N 446.596 1.509 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1286787425 FTXWOOYOFGOFED-KRWDZBQOSA-N 431.541 1.206 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286815559 AZFSQRPUIGUQLS-SFHVURJKSA-N 446.533 1.759 30 10 IDEE C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1287419700 MQIPFRMNDHFATC-CABCVRRESA-N 426.491 1.154 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)c1 1292750525 KFDBLVCWFGAMQX-OAHLLOKOSA-N 434.539 1.883 30 10 IDEE CCOCc1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1Cc1ccc(C#N)o1 1297219399 GCKBNMYSXQSCQM-HNNXBMFYSA-N 438.492 1.725 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1300365192 QZTFYJOLHKVGAM-JKSUJKDBSA-N 430.596 1.243 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300485092 WPZXCPZLFYUMQP-UWJYYQICSA-N 436.578 1.746 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300505557 CQOSFMGGOZLRLD-UONOGXRCSA-N 436.456 1.683 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2COCCO2)n1 1300680997 IVYPWZGCGQOFCE-IBGZPJMESA-N 439.520 1.182 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CC1 1300692269 BPHQUJDCMRNSAB-UHFFFAOYSA-N 433.560 1.684 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300700673 UGXCBBMWXKILHJ-SFTDATJTSA-N 430.597 1.284 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(S(C)(=O)=O)CC2)CC1 1300703627 NFXGYHZDZURQCK-UHFFFAOYSA-N 443.573 1.210 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301588922 LVHUOYOBHUNELG-QGZVFWFLSA-N 439.582 1.078 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1301596350 MEZUNFHHILUBNR-YJBOKZPZSA-N 430.596 1.473 30 10 IDEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301923255 BYOXNEBCPSPREO-HXUWFJFHSA-N 434.504 1.654 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1303496898 LLRGBORCTBNUEJ-VXKWHMMOSA-N 442.495 1.908 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1303641591 DCJFGJYAXBBGOJ-CQSZACIVSA-N 441.517 1.917 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCC(=O)NC 1305520029 AUBCWLLDFAHHIK-AWEZNQCLSA-N 426.525 1.991 30 10 IDEE CCOC(=O)N1C[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](CO)C1 1312544698 WZJQUNKGYYSOOO-FCCDEINASA-N 431.493 1.392 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CC1 1315749225 VGMASRLYOBQBKG-UHFFFAOYSA-N 448.474 1.784 30 10 IDEE COCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1316268758 XFCZMRKOBHHNCU-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE N#CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1316533208 HNRZEWWQIDCURH-QGZVFWFLSA-N 441.923 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(C)C)CC1 1359044573 JDZXZQYMIWOBRI-HXUWFJFHSA-N 430.597 1.868 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1359073645 ZFUWKMFZVAOSPV-FDDCHVKYSA-N 447.499 1.709 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1359099458 OBCIFVKUHWSUBU-GGPKGHCWSA-N 432.569 1.021 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359221660 JYODXJSZBXQZPE-LJQANCHMSA-N 425.555 1.024 30 10 IDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1359226193 YVLHNPMWPRBNJY-UHFFFAOYSA-N 442.545 1.353 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1359467820 ZJKZRIRKTYRNEI-OXQOHEQNSA-N 439.582 1.739 30 10 IDEE CC(C)(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359518690 KYIGGCIELNCLKW-FGSXEWAUSA-N 443.573 1.869 30 10 IDEE COC(=O)[C@@H](O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1446513988 NUEQPXBZMNDEPZ-IZCOPSDLSA-N 435.521 1.546 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1 1456454652 AIHCQYNOYFNYSW-IAGOWNOFSA-N 439.534 1.515 30 10 IDEE C#CCC1(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCOCC1 1477625742 TVPHZNKUZVAKMI-SFHVURJKSA-N 435.546 1.516 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1505028428 YRBVZAKYSSKSMT-NBCNXNJRSA-N 427.505 1.598 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCc2nccc(C(F)(F)F)n2)cc1 1505316600 JPACLDQCYBWYPX-UHFFFAOYSA-N 442.405 1.804 30 10 IDEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1505318267 UUMSVGMDYUAWIT-KRWDZBQOSA-N 429.546 1.993 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@@](=O)CC 1507544297 ZWOAAALPASBAKQ-QJWGWKRISA-N 442.633 1.869 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1507588342 KBKUFTQKLPFJQR-IBGZPJMESA-N 447.605 1.965 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[C@@H]1NC(=O)NC1=O 1507641235 AWTFWMBVQFJORD-IBGZPJMESA-N 430.512 1.809 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507695247 XEGPPPZKPAKKRP-QGZVFWFLSA-N 437.552 1.361 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NC(C)C)CC1 1507735489 WXEKGUQPFTWMJM-UHFFFAOYSA-N 443.939 1.484 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnc(C)s2)CC1 1507738724 WQEPLLKHVKVDPE-MRXNPFEDSA-N 427.534 1.008 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507754240 MFKFHKVSJIKQFY-QZTJIDSGSA-N 432.594 1.144 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C2CC2)CC1 1507984403 VYHFIWQCASSWDY-GOSISDBHSA-N 438.598 1.108 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1508088491 YHHOJHREJZMOPZ-UHFFFAOYSA-N 428.512 1.615 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513089830 GOVAEMKCZCIUPL-KBCBIMNYSA-N 443.508 1.253 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)C1 1516390409 BQGNTSSLUJDTTC-NNDYNSRJSA-N 447.561 1.874 30 10 IDEE CCOCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1516552039 LHGFRBQGBUPJGH-HNNXBMFYSA-N 434.522 1.332 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNc2ccccn2)CC1=O 1517417585 GAUVZIXRLLFSGH-UHFFFAOYSA-N 446.515 1.904 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)F)C1 1521069085 CLPHXJRHUAGAQK-SFHVURJKSA-N 426.374 1.819 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)c1cnn(CCC#N)c1C)c1ccc(S(C)(=O)=O)cc1 1538507989 BSODOGAMZQDXCE-FQEVSTJZSA-N 432.502 1.717 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(O)CC1 1539155125 RNRRCAZIVSRHLX-UHFFFAOYSA-N 431.562 1.265 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539225587 PHVGMGUNJKRXSS-AZUAARDMSA-N 449.621 1.358 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539613076 UGLONWYPQYGDAB-ZCNNSNEGSA-N 446.596 1.652 30 10 IDEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1540027267 UPLWKESCRWPMSE-HNNXBMFYSA-N 444.923 1.338 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 1540737458 XLDGVBDNFWLRTD-UHFFFAOYSA-N 433.421 1.389 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCCC[C@H]2C)C1 1540862123 RKYPDIRYWCKXHM-RTBURBONSA-N 445.612 1.809 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1540863156 QFVHYQPWSAFOJT-OPAMFIHVSA-N 445.495 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC1COC(C)(C)OC1 1540903099 YJRQFLOADOFUSP-QGZVFWFLSA-N 442.582 1.608 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CCC(F)(F)F)n1CCN/C(O)=C1/N=CC=CC1=O 1541641740 HTLMPEDUNZPHIN-SQFISAMPSA-N 443.430 1.331 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1541907748 DIWIJRCHVJBFSM-LSDHHAIUSA-N 448.549 1.720 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1544784816 JVXBPZOWNKJZPD-MSOLQXFVSA-N 427.954 1.740 30 10 IDEE COC(=O)c1ccc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1545169849 BLDJSQAVSIMCBD-KRWDZBQOSA-N 444.513 1.638 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(C)C)nc1 1555671712 SBPYNLRGOJMBID-SJLPKXTDSA-N 430.509 1.961 30 10 IDEE C=CCOC[C@@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C(=O)OC 1556375816 SRCRJTNSPZXNCA-CQSZACIVSA-N 428.283 1.821 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nccn2-c2cccc(C)c2C)CC1 1558072727 BDXLHUYCUGXFCV-UHFFFAOYSA-N 447.586 1.193 30 10 IDEE C#CCOc1ccccc1CNC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1564067738 OQNRWTOYSQTNAY-UHFFFAOYSA-N 446.485 1.727 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1587823517 TVBFBACHBXULPE-INIZCTEOSA-N 444.561 1.276 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588064722 NYKNLNBVPQYILL-UYAOXDASSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCNS(=O)(=O)c1ccc(C)s1 1588120864 UCGLUDLISRJKBB-UHFFFAOYSA-N 428.543 1.694 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1588806352 NZKLDBRTJPXOGI-RBUKOAKNSA-N 426.496 1.511 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1589530563 WQBYSDOVLWMIEV-GGPKGHCWSA-N 444.580 1.953 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1594023074 COVQQBVRNOUPFK-CVDCTZTESA-N 447.580 1.970 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1594992594 LOIPXYIHZRTHNJ-IAGOWNOFSA-N 436.582 1.227 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1 1595477402 UHUGZHWMRHJJGF-OAHLLOKOSA-N 444.511 1.951 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1595517469 ZDXYGOHCLXRHEW-PKOBYXMFSA-N 440.548 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@@H](C)C1 1595760210 LHRIJLMCRJFPBI-HNNXBMFYSA-N 434.522 1.141 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1595765590 DVVGSCLOPDVAEF-UHFFFAOYSA-N 435.525 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595766661 VNEIJECCTOJDKD-NRFANRHFSA-N 445.545 1.413 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H]([C@@H]2CCCO2)C1 1597116543 DLLHNUTXRBFXEV-XWIAVFTESA-N 438.477 1.696 30 10 IDEE CC[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)n1nnc(-c2ccc(Cl)cc2)n1 1597371376 CZPZUYWONJOXLE-YEWWUXTCSA-N 434.909 1.341 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1608353195 WKFDWZMDHWDKLX-MRXNPFEDSA-N 439.511 1.512 30 10 IDEE C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@H]12 1616175040 LEUXAFIXWHVGAU-JKJDWNRSSA-N 429.464 1.523 30 10 IDEE CCOCc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616955983 QOFYIMQKQNYWPX-ZSVKVYQISA-N 446.552 1.982 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)C(=O)OC(C)(C)C 1618560492 LHGDHFAUXTYFCM-OAQYLSRUSA-N 430.461 1.364 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1619497409 MOVNNJPSZIGQBS-GOSISDBHSA-N 433.534 1.493 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1619666417 MZNPSKRPKIBPBB-UHFFFAOYSA-N 444.561 1.927 30 10 IDEE CC(C)N(CCCNC(=O)CNC1(c2ccc(C#N)cc2)CCOCC1)S(C)(=O)=O 1620490767 KSOMKWIPLJNMAW-UHFFFAOYSA-N 436.578 1.330 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3nc(CC)no3)ccc2C)CC1 1623200384 LWKQCIGVHXZGPO-UHFFFAOYSA-N 432.506 1.225 30 10 IDEE CCN1CCN(CC(C)(C)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1630153567 GFWCWKIEPZGRNY-INIZCTEOSA-N 435.594 1.036 30 10 IDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1630674590 NLLOOZAVMQTBPU-MRXNPFEDSA-N 430.486 1.389 30 10 IDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OCC 1633296871 IVRPJQOZOHDHNC-AWEZNQCLSA-N 433.324 1.985 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)C1 1635487445 KCYBQUWWXMGOBI-JTSKRJEESA-N 439.903 1.793 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)cc1 1636234774 GFGRSJWARPKJRA-HXUWFJFHSA-N 446.550 1.861 30 10 IDEE C#CCNC(=O)CCN1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1643923298 FHJOZRQQCCQUPD-SFHVURJKSA-N 444.580 1.786 30 10 IDEE COC(=O)[C@@]1(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)CCOC1 1647810050 PWQJSHXKQNVTKR-OAQYLSRUSA-N 432.546 1.387 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1 1656624121 CPTMYCZGYLTLQK-UHFFFAOYSA-N 427.320 1.873 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1674945788 LVYPCXULKQOEBS-QHCPKHFHSA-N 436.560 1.927 30 10 IDEE C=CCC1(NC(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)CCOCC1 1677150234 HKDSMPCUSUAEJC-UHFFFAOYSA-N 427.523 1.867 30 10 IDEE C#CCN(C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)C1CCCCC1 1683173932 YTLJUEIBDKYPCU-UHFFFAOYSA-N 433.530 1.808 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCc3ccc(C#N)c(F)c3)CC2=O)C1 1683350326 PULCYOOCIXHVLH-OAHLLOKOSA-N 431.468 1.717 30 10 IDEE N#Cc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1683981126 BSJIRNWMVUCTFO-UHFFFAOYSA-N 438.513 1.693 30 10 IDEE CC(C)n1cc(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(O)nc1=O 1685759024 AZMIXMHJMYVKTK-UHFFFAOYSA-N 447.499 1.981 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnnn1CC1CC1 1689835020 DRWSSTCFXGPKQM-CQSZACIVSA-N 440.533 1.251 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1689861318 SSRBQTFOIIXKQN-NBGIEHNGSA-N 449.603 1.579 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689977880 GABYAOMHLCPCKS-SFHVURJKSA-N 445.520 1.328 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1689996031 CNOYKWFASHVZNU-ZACQAIPSSA-N 437.541 1.165 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1690206415 QMSOLWQEBANFTG-VQIMIIECSA-N 442.607 1.387 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1690511144 QYNMICBFDPQKJM-IBGZPJMESA-N 427.553 1.934 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690674202 SKYWYVPLSGFTNC-HNNXBMFYSA-N 437.470 1.639 30 10 IDEE CCOCc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696286621 ILSTXVVEJKUPGZ-SGRLSNSRSA-N 444.536 1.594 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)cc(OC)c1OC 1697259798 IGVMWQOICZFTLX-INIZCTEOSA-N 444.492 1.226 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705517438 VQRIJFFGRZUAIL-HZPDHXFCSA-N 434.522 1.253 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCO)CC1 1705638865 ZXWXSSPNARRIIO-UHFFFAOYSA-N 445.593 1.156 30 10 IDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1 1705753533 CDWAWMLFKGWTRG-UHFFFAOYSA-N 437.957 1.439 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCc2cccs2)CC1 1705902357 CSQCNUUVXHDXCM-SFHVURJKSA-N 444.605 1.901 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1706648518 OTEIEVYPNMWRPQ-SJORKVTESA-N 440.460 1.367 30 10 IDEE CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1710797335 XMYRPFRYSRNGOP-SFHVURJKSA-N 438.536 1.639 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1=O 1712478691 FKNQNAYSTJWLRC-UHFFFAOYSA-N 434.504 1.317 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(Cc2ccccc2)CC1 1722341362 DOHQQAVFYSXVSQ-UHFFFAOYSA-N 435.576 1.401 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1722369478 ZUWSLXHFNFKJRB-MSOLQXFVSA-N 445.545 1.598 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCCO)CC1 1722584101 XWXHAMABJPPEPD-GOSISDBHSA-N 441.598 1.566 30 10 IDEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722622726 NAUFDHFAGRFPTK-VGOFRKELSA-N 446.552 1.758 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1722958714 JRQWBMMSZDCIFO-CVEARBPZSA-N 426.512 1.951 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1723589750 ARPNVJIUHSYRCQ-GUYCJALGSA-N 431.438 1.742 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)N2CCOCC2)cs1 1725318574 MNENKLIEZYFIOV-UHFFFAOYSA-N 429.550 1.623 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730908122 OMBXQDVSFGDFKW-ZBBYCGENSA-N 446.552 1.635 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740871524 GDWNNRDIUGKPMX-IBGZPJMESA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1740957065 AFRCULUQJLRTGJ-LJQANCHMSA-N 440.596 1.929 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1740960442 RMOMAULEZIWXKB-MRXNPFEDSA-N 426.477 1.945 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1740964922 BBVLMJQWOWKMOE-LQWHRVPQSA-N 446.596 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740989446 NCFOSBJHJVLZNA-QGZVFWFLSA-N 432.550 1.293 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1741001242 OUHXRZFHQWKDNO-DLBZAZTESA-N 447.609 1.731 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H](C)CN2CCOCC2)n1 1742693830 BQGHFFABUOUYRP-QGZVFWFLSA-N 426.569 1.848 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1748731735 KLCBIEPAEGJWKZ-WBVHZDCISA-N 435.554 1.096 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1748808017 GCMQKNMYDGGUKU-KRWDZBQOSA-N 430.530 1.617 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748819606 PREBJUKOHSTVOM-IBGZPJMESA-N 442.520 1.417 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1748852884 PHZBVUBWYXAUHI-UHFFFAOYSA-N 429.406 1.268 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749127482 MMKZHNYAQLSFQB-OALUTQOASA-N 444.580 1.700 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1749403084 WKBJGIKQXCTILA-QGZVFWFLSA-N 427.571 1.176 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CCC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1749682686 YJSUJTHMQFOCAW-HSZRJFAPSA-N 448.612 1.791 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)CC1 1749686659 CZIBOQHKOXPGOU-UHFFFAOYSA-N 438.532 1.829 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749744625 MKYYTTLUNXGOND-NWDGAFQWSA-N 443.517 1.575 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1749830021 DBABTLWYEULTBK-GOSISDBHSA-N 433.534 1.087 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760136039 BPGQPVMCCWFROF-GOSISDBHSA-N 429.569 1.023 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1760184264 IFLVBIJRNJOPCY-GOSISDBHSA-N 429.546 1.406 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187446 JTHDISDUFCBARZ-CXUOOODFSA-N 436.578 1.614 30 10 IDEE C#CCSCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760286771 VCFMECXFBMWWGN-OAQYLSRUSA-N 435.594 1.790 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760528658 JLSZXZBTICFJGU-PDOICOKGSA-N 444.580 1.746 30 10 IDEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1765979547 ICSNZIMHAWZGGX-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE Cn1cccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767493387 KBEKKRCHNMUYGM-LSGABVIPSA-N 434.504 1.940 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768446519 BEICODKZMSMFFQ-CQSZACIVSA-N 425.493 1.185 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)CC1 1770345340 FLIHTADLUKDUKK-UHFFFAOYSA-N 429.531 1.403 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770979619 PLMKMSNGGNYZAF-JOCHJYFZSA-N 435.488 1.663 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1771531884 HBUXWIACIUZQNE-CQSZACIVSA-N 449.393 1.136 30 10 IDEE C[C@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 1848441376 KUAYISMWWBBCAR-JJOUCUAZSA-N 438.467 1.977 30 10 IDEE Cc1ccccc1N1C[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1851523750 MNLNPEAYGNJWIH-FQEVSTJZSA-N 433.512 1.980 30 10 IDEE CN(CC(=O)N1CCN(c2nccc(C#N)n2)CC1)c1ncc2c(n1)-c1ccccc1OC2 1852820016 PHMLKVKMNXYWTK-UHFFFAOYSA-N 442.483 1.483 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2ccccc2Cl)CC1 1853500392 SVSAQOVTTHDVLG-UHFFFAOYSA-N 441.937 1.905 30 10 IDEE N#CCC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856549853 HITSZDNIGWQKTR-IEBWSBKVSA-N 436.578 1.334 30 10 IDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1)CC2 1857213124 CPNPMWOXEKQMOJ-GOEBONIOSA-N 428.924 1.567 30 10 IDEE NCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 1857792019 DETPARNXKUCFHR-UHFFFAOYSA-N 435.524 1.821 30 10 IDEE CCCCCCCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)CCCNS(C)(=O)=O 1860940189 RJOVVFXXNQOOHN-KRWDZBQOSA-N 448.630 1.323 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711534 MRWYVSXVCLXWKT-UHFFFAOYSA-N 446.515 1.550 30 10 IDEE COCCN(CCOC)C(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872678647 FWCMCFMPTYUCFP-UHFFFAOYSA-N 449.489 1.244 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1984816910 KVBZRLZEOKBLHP-HXUWFJFHSA-N 425.482 1.485 30 10 IDEE C#CCN(CC(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2009850624 FKXMTVDDWHGYQR-OAQYLSRUSA-N 439.509 1.827 30 10 IDEE C[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCS1(=O)=O 2116138147 IOBRQPGQWLJBIN-LLVKDONJSA-N 431.161 1.767 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124520293 TUZGMOMCVMKPGH-CRAIPNDOSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243418856 MFQCYRSRRQXNIL-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247917304 AVEFYYPWRMLUMP-QWHCGFSZSA-N 439.343 1.464 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247921963 YPSONZYDOSRQKN-CHWSQXEVSA-N 439.343 1.152 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248572155 MBTDGDAFSVVBLJ-CQSZACIVSA-N 425.310 1.842 30 10 IDEE C#CC(CO)(CO)NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2251701605 LJGSBIWPMLTFQQ-UHFFFAOYSA-N 431.533 1.019 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)n1 2255653642 LQNSIKMPUTYBIA-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255655593 OMGZKZBAIVKJPG-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255703086 OOGGXDKZXXZSET-UONOGXRCSA-N 436.314 1.848 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255831541 XKMLYZAZXOXZOF-GJZGRUSLSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2COC2)C1 2267135068 YGRLTWDFNAEIEG-UHFFFAOYSA-N 448.329 1.169 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267151683 ZPFCCONKANIEBV-NUEKZKHPSA-N 446.357 1.940 30 10 IDEE COCC1(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267194766 GJUWGUSRQXXVDB-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)n1 2267549228 YCFQQSXWPZIJBD-OKILXGFUSA-N 449.361 1.680 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267870810 IMDIKIMTBBIFNK-FPTDNZKUSA-N 444.341 1.763 30 10 IDEE Cc1nc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268647046 MMGZDBSLCISTSJ-DZGCQCFKSA-N 448.329 1.393 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268725165 SECCMTDUJGIAMS-KRWDZBQOSA-N 448.369 1.920 30 10 IDEE C=CC1(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCOCC1 2270529763 KHOOBTWGHQZQAS-INIZCTEOSA-N 426.491 1.268 30 10 IDEE N#Cc1cccc2c1N(S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)CC2 2286039813 GSNHUUFBRHQWEZ-QGZVFWFLSA-N 429.454 1.630 30 10 IDEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 2296114268 UOCKYIFAPLBHLV-NRFANRHFSA-N 447.495 1.792 30 10 IDEE CCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 2314435858 YIYXXCKANTYZRF-UHFFFAOYSA-N 431.587 1.928 30 10 IDEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)c1O 2330785671 JSKKTIDEAIQSQN-UHFFFAOYSA-N 435.506 1.802 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 15358632 IOKMPMVWJVYZOV-UHFFFAOYSA-N 449.510 1.040 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)cc2C1=O 30962870 LTPBDJUMKOPYJC-UHFFFAOYSA-N 427.482 1.448 30 10 IDEE CCN(CC)C(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@@H]2CCCO2)CC1 46022182 DNMZMKUMOHWEPP-FQEVSTJZSA-N 445.564 1.627 30 10 IDEE N#CCCn1cc(/C=C\C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 213248399 ZKTOQUOGRIUTHH-RURPWVQCSA-N 426.542 1.899 30 10 IDEE CC(C)[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)N(C)Cc1nnc2n1CCC2 480621342 WPBUQKOPGZOSMJ-IBGZPJMESA-N 448.524 1.338 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C#N)cs2)c1=O 481969246 FYRRMVJTAJMYHJ-UHFFFAOYSA-N 432.530 1.922 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 508937074 BJBPIWZGXMJPAF-GOSISDBHSA-N 447.923 1.933 30 10 IDEE Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512205979 YFLVJSBVLPIYOZ-KRWDZBQOSA-N 428.518 1.385 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)cs1 523580984 MOIGECHZXVNLGQ-UHFFFAOYSA-N 446.598 1.125 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] 542684657 YUYQYFTUTWQKPF-INIZCTEOSA-N 440.460 1.537 30 10 IDEE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2cccc(C#N)n2)CC1 546212385 RDIHSBGUTBFRKJ-OAQYLSRUSA-N 446.511 1.457 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546889110 PQORNDYAWJRBSF-UHFFFAOYSA-N 439.501 1.172 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(CC)s2)CC1 555220893 HNWAECBEUIBHCW-AWEZNQCLSA-N 439.611 1.810 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 588152134 HFOIFHIFVPBHHK-HOCLYGCPSA-N 440.521 1.936 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 603590714 XXMKIRLEWMCAQC-SFHVURJKSA-N 430.553 1.019 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)c(Br)c2)CC1 604188277 TZYITJCQRDPIJY-UHFFFAOYSA-N 425.327 1.587 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)ccc2c1=O 726376209 FGADQDAHWJSFHQ-SFHVURJKSA-N 443.573 1.544 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H](C)CN2CCN(C)CC2)C1=O 730137087 CRILUUGIRLBCTA-QAPCUYQASA-N 428.562 1.262 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1csc(N2CCCC2)n1 734359128 YDXCMZPYKUBFGX-UHFFFAOYSA-N 433.559 1.531 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccccc1C#N 743726033 BKWXNUQGGGRYCR-UHFFFAOYSA-N 449.561 1.955 30 10 IDEE COc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C#N 746772117 ITQAGNQBJOJMNG-UHFFFAOYSA-N 447.517 1.778 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)ccc1OC 752960109 CWXUAXSRIOWRSF-WJONJSRFSA-N 443.504 1.896 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CC2)n1 760778233 RJJLLSZHAJLXFC-UHFFFAOYSA-N 425.392 1.604 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc2ccccc2)C1=O 771581977 ICRHOHUYEXEUCO-OSPHWJPCSA-N 448.479 1.796 30 10 IDEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(C4CCN(C)CC4)c3=O)n2)c1 781136827 PDRHZBWMUYBMAX-UHFFFAOYSA-N 445.552 1.401 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 791127504 HRMYTTRMLNYVGJ-OZNYCYRCSA-N 432.502 1.051 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccnn1CC 794058632 XZCKQKOJZANHCS-SFHVURJKSA-N 447.561 1.521 30 10 IDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 798813392 SEYNLBJDVHGEDM-LJQANCHMSA-N 427.482 1.818 30 10 IDEE C[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)n1cnc(C#N)n1 798927851 UWXQVPIPLOLBCM-JKSUJKDBSA-N 445.524 1.029 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cc1 808113202 ASXZTFYUWSMINW-OAHLLOKOSA-N 445.497 1.975 30 10 IDEE Cc1cc(-n2c(C)cc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCCO4)c3=O)c2C)no1 837874678 HESYCVODHQQXFJ-SFHVURJKSA-N 435.509 1.819 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 914497853 HGSSDNIULHVOPE-UHFFFAOYSA-N 447.463 1.475 30 10 IDEE CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 918974003 RVIQPKKLOBUAED-UHFFFAOYSA-N 436.534 1.456 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C[C@H]1CCCO1 920832986 UIXRQDASEINBSJ-CQSZACIVSA-N 448.407 1.625 30 10 IDEE Cc1nsc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1C#N 1128319715 NKHDLCOEZZASTE-LBPRGKRZSA-N 432.483 1.899 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC3(C#N)CCCCC3)cc2)CC1 1131326848 OBKXBFPHRJVWFK-UHFFFAOYSA-N 432.546 1.743 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4ccnc4O)c3)CC2)cc1 1141411609 DYKCPOSKOJBTGY-UHFFFAOYSA-N 437.481 1.596 30 10 IDEE CN(C)C(=O)CN1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1154931247 NEMVVGLIURGDSE-UHFFFAOYSA-N 448.365 1.379 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@H]2CCO)n(-c2cccc(F)c2)c1C 1197992488 ZYIVPCANMRLBKE-GOSISDBHSA-N 448.520 1.525 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccco2)c2ccccc2OC)CC1 1230176732 FOFSJAXWKHEXME-LJQANCHMSA-N 432.502 1.172 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)nn1 1252077079 RAAKEDPDEZZBCS-SFHVURJKSA-N 432.912 1.859 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1286390424 AQSZQJIJQSRCMY-FQEVSTJZSA-N 438.557 1.656 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1286746240 SPIKNFLRFQKMHS-KRWDZBQOSA-N 438.575 1.417 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1288708836 GBCWCBNQPCAOFZ-DLBZAZTESA-N 446.502 1.844 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)c1=O 1295942115 HOMYYCCCDCNCKI-MRXNPFEDSA-N 425.880 1.952 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3cnc(-c4ccccc4)cc3=O)C2=O)cc1 1297335547 OSKXIGFXNXXSLC-FQEVSTJZSA-N 427.464 1.699 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1297664480 VHVPNJJUENXUAD-NQIIRXRSSA-N 448.571 1.700 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1297738950 HNUBNRRGFWHECM-UHFFFAOYSA-N 431.566 1.675 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299006752 MOHYTABXQTWYLL-UFBKIKKCSA-N 429.525 1.064 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(CC(F)F)C3)CC2)cc1 1299492456 GFEFDWHZRVPETJ-INIZCTEOSA-N 426.489 1.415 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)cc1OC 1299991909 FQRGTWVCOQDGPZ-CQSZACIVSA-N 438.492 1.854 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1300502794 XQLKNXSHMMSPFI-KRWDZBQOSA-N 442.570 1.590 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300505171 YQYIIXAWRGNTJH-RBUKOAKNSA-N 437.610 1.562 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1300560960 JZRJNMDLEAGBEM-UHFFFAOYSA-N 442.541 1.356 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=C)Br)CC1 1300684891 CCBRUULSPDRNOI-IBGZPJMESA-N 438.370 1.983 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCCCC2)CC1 1300706203 IYGLCJSMSINDRR-UHFFFAOYSA-N 427.597 1.420 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300767872 GWIBSYYJLWUCQC-KRWDZBQOSA-N 430.578 1.850 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCN(C)C1 1301340358 GIKZDCBVLFFENL-QHCPKHFHSA-N 437.548 1.547 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCN(C)C1 1301422214 COKLPNPRQKAFSG-HSZRJFAPSA-N 437.548 1.836 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301511845 GLISSMPCVSTJIY-MEUCICPISA-N 425.493 1.662 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1303427038 GBELFYCPCXBWED-UHFFFAOYSA-N 435.532 1.838 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)NC(=O)CNC2=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303656055 QARVFGKODZCVJD-UHFFFAOYSA-N 440.500 1.843 30 10 IDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1311300670 XCWVCPSEJYDHRX-UHFFFAOYSA-N 427.482 1.978 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)COC)CCN2C1=O 1313832211 FSOQXPOPCWDMCJ-CRAIPNDOSA-N 437.504 1.572 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315821146 LQRJQCBTNHHKDW-GVDBMIGSSA-N 444.515 1.533 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1316527164 HTQNZUBLZNNJCM-UGSOOPFHSA-N 434.453 1.730 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCOCCCO)c1 1316529737 CXBKTDDYDFCFMW-FQEVSTJZSA-N 440.548 1.374 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1358872685 XLLLLGSJVCZCCD-ZJUUUORDSA-N 436.485 1.870 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1358885149 DSONYIPQMMSIGR-OAHLLOKOSA-N 433.516 1.696 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(C)=O)CC1 1358897047 RXPUMDARQPAAGD-OAHLLOKOSA-N 428.562 1.986 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1358938861 KTVDTTJWGPOYAJ-KRWDZBQOSA-N 428.512 1.791 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1358971379 SEVMDCIVKPDLNJ-UHFFFAOYSA-N 442.317 1.639 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCS1(=O)=O 1358980823 LKQXRWFFCSBUPF-LJQANCHMSA-N 436.541 1.557 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359081619 IEBIHFFGBJXEGK-OAHLLOKOSA-N 436.358 1.746 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305874 PJEQXSPTBTWQJN-XMSQKQJNSA-N 433.553 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359333267 SDHVSHYWDLPBNK-LIRRHRJNSA-N 425.555 1.545 30 10 IDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)c1 1435184281 JUHJTQFNGPTCAR-UXPWSPDFSA-N 425.489 1.706 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)s1 1452726141 LEYOEVALWAXMMS-CVEARBPZSA-N 427.592 1.370 30 10 IDEE Cc1ccc(I)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1457190937 BNRJRORRSBXTCQ-UHFFFAOYSA-N 436.209 1.431 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1)c1cc[nH]n1 1467463116 FBGJPKRGXVJPON-SFHVURJKSA-N 437.456 1.413 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccc(Cl)cc1 1470661962 CZZMUZVWHXPCMZ-OAHLLOKOSA-N 443.895 1.490 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1501104005 CTHJOLSLCTYLFC-XMMQZVGTSA-N 441.536 1.425 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1503476120 FSAFDLGAPFVAPW-ROUUACIJSA-N 431.518 1.104 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)C[C@H]1O 1503883839 USEPZQSCNNSGQN-IAGOWNOFSA-N 449.458 1.849 30 10 IDEE CO[C@]1(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)[C@@H](C)CC#N)CCOC1 1504048122 GLNXWKUOINUFOI-NYHFZMIOSA-N 437.504 1.736 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1504434530 CSYOLDNFGWJDHT-MRUHUIDDSA-N 431.468 1.848 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCOCC(F)F)cc1 1505319785 KMXCIRVQVXFQNE-MRXNPFEDSA-N 446.458 1.821 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1507514446 CULIXYWHJHBTJK-DLBZAZTESA-N 441.561 1.639 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1507648264 MOHOJCSUROUUEI-KRWDZBQOSA-N 445.527 1.570 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507669901 VBKRVAGHWHKZBM-IAGOWNOFSA-N 425.455 1.508 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)CC1 1507803296 FRQNBQNMGWBXJI-DOTOQJQBSA-N 430.534 1.475 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507951174 BHSHYSBMDVAPLJ-LJQANCHMSA-N 440.552 1.873 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1508081213 VQKSZKKPJFDVBQ-UHFFFAOYSA-N 447.499 1.310 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1508144941 UZAMFBQNIBILJT-ZWKOTPCHSA-N 432.594 1.784 30 10 IDEE C=CCSCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OCC)CCOC1 1508167264 HBRKOIJKRGETAL-NRFANRHFSA-N 445.593 1.966 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1519152093 OGEWTOTUPPCMNO-SFHVURJKSA-N 445.545 1.230 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1539012065 DZZCPNKXHWYZKE-HOTGVXAUSA-N 425.518 1.267 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1539067195 AUKWNWULEMHODU-MRXNPFEDSA-N 435.532 1.814 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1539216650 UUGLFLSGURBBPM-IBGZPJMESA-N 430.578 1.699 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(C)C 1539315667 RRQGYQMNOSVXSV-UHFFFAOYSA-N 431.544 1.995 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)c(F)c2)CC1 1539427671 GUFVSHWTNSQFNO-UHFFFAOYSA-N 428.512 1.562 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(C)cn2)CC1 1539889741 BRRASJTZKFQRQM-GOSISDBHSA-N 449.581 1.219 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1540074610 ZXZUXCMASFCVBM-LJQANCHMSA-N 449.577 1.929 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1540873238 RSCKKZOXHZYVNB-QHCPKHFHSA-N 435.532 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(F)c1 1540901724 NHVNKIRFWCXBBD-INIZCTEOSA-N 439.488 1.745 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1541804846 DQYUMIFUROKKDL-QGZVFWFLSA-N 436.520 1.504 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)CC1 1547731527 LSPPNCBXGOPJMB-UHFFFAOYSA-N 430.601 1.574 30 10 IDEE COCCOCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555717263 FXGTUZGQPGSCKU-LJQANCHMSA-N 425.537 1.878 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCNc2ccccn2)cc1 1555991675 ZQKODPGEOJWVJN-UHFFFAOYSA-N 446.515 1.952 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(C(=O)N(C)CC(N)=O)c3)n[nH]2)c1C 1556506755 WEIOCICMGQMMJA-UHFFFAOYSA-N 435.488 1.886 30 10 IDEE CCOC(=O)C[C@@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1556833401 XXPPFEVIEAWLKM-QFBILLFUSA-N 431.489 1.823 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)C#Cc3ccc4c(c3)OCO4)CC2=O)C1 1558694226 LVAJZPHSJGHEKR-HNNXBMFYSA-N 427.457 1.103 30 10 IDEE CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@H]1CCC[C@H]1C#N 1560059920 AYDCTNBUOYSHPB-KSSFIOAISA-N 440.953 1.923 30 10 IDEE CCCN(C(=O)[C@@H](C)N1CCN(c2ccc(F)cc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 1560077264 GHFZRZCDVOUVFG-APWZRJJASA-N 436.553 1.634 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCc3ncc(Br)n3C2)n1 1565478035 DSBOOHAXVCZVQE-AWEZNQCLSA-N 435.326 1.648 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)c2c(F)cccc2F)c1 1565763739 RNGGIJPYWZDFBA-UHFFFAOYSA-N 425.388 1.561 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1567388057 NTPVUFPNCLVOEX-ZSDSOXJFSA-N 438.525 1.624 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1585374769 BHXBCVQXPYPGKO-GFCCVEGCSA-N 442.321 1.778 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1587909669 QGSADVXQYZUTPG-MRXNPFEDSA-N 431.566 1.269 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588046125 XXMMWGWZIZRPGK-IAGOWNOFSA-N 448.520 1.516 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1588049710 KWPXQDZQSZKPLV-ZBFHGGJFSA-N 445.511 1.666 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F 1588574725 QLJRYGNECPQORE-LBPRGKRZSA-N 425.477 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1588752777 VKECLQGGUPSFQV-QHCPKHFHSA-N 443.523 1.881 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3Cc4cccnc4NC3=O)C2)C1 1593819680 OICUWCPBWLSDAX-XXUFKVEXSA-N 425.489 1.848 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1594783601 FURSCJCJTBWHRG-UHFFFAOYSA-N 426.525 1.223 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595602823 RVEKGWVSWYXRPP-AUSIDOKSSA-N 447.580 1.874 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1596781950 FPVICAYFGTUQFX-ZACQAIPSSA-N 425.603 1.606 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1617698006 NDUUKEOVAZRCGE-QUCCMNQESA-N 437.548 1.357 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)c1 1619353992 AAHNVRUPSAVYGE-QGZVFWFLSA-N 431.518 1.507 30 10 IDEE COC[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619583422 GBVLJLLVJNGNLT-KZNAEPCWSA-N 440.552 1.831 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1620149523 ICTGTSKHOXKHDZ-ZWKOTPCHSA-N 445.545 1.547 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)n[nH]2)c1C 1626873340 QCLNBGYKYAMTFJ-UHFFFAOYSA-N 425.537 1.456 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1627800439 UIGZZEJERGUBDI-ZWKOTPCHSA-N 435.569 1.442 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OCC 1632067415 RJABQWOIHZHGIG-WBVHZDCISA-N 444.937 1.948 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1632429427 RXZVLJXEMSGPAU-UHFFFAOYSA-N 428.510 1.576 30 10 IDEE CSCC[C@@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)NC(=O)OC(C)(C)C 1632880539 SCSXJASXFWTRTM-WPCFGXOUSA-N 426.539 1.666 30 10 IDEE NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1638066373 FMWFCTIAMOEDJO-QFIPXVFZSA-N 440.525 1.161 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4nnccc4C#N)CC[C@H]32)CC1 1640028788 AVALOJBAJXARTI-IAGOWNOFSA-N 427.509 1.720 30 10 IDEE Cc1c(C(=O)N[C@@H](C#N)CO)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 1640691474 OLTXNOWDNFZJLM-SFHVURJKSA-N 434.475 1.887 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)c1 1641311948 INRNTFZWVBFVCH-UHFFFAOYSA-N 438.527 1.827 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCN(c4ccc(C#N)nc4)CC3)OC2=O)C1 1644411961 LPIQGPMZWJMCDH-GOSISDBHSA-N 427.505 1.628 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)c1cccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 1649384719 HABOWVQIEIDBLX-UHFFFAOYSA-N 436.534 1.221 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 1652172445 BZIAFWMFXMBAQO-UHFFFAOYSA-N 429.586 1.790 30 10 IDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C)C(C)C 1655667628 WCJAHBXROPZJCH-UHFFFAOYSA-N 437.562 1.777 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 1656284652 QDAMSNSPPOEQJW-OAQYLSRUSA-N 447.605 1.206 30 10 IDEE C#CC[C@@H](COC)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1665154278 NCRYYIBHWROIKP-INIZCTEOSA-N 425.507 1.266 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1670894366 VAENCHOYOUDCIG-QGZVFWFLSA-N 430.548 1.647 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1671028107 WGBCORGMIJZTCS-LXIYXOSZSA-N 426.901 1.638 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1 1677535619 MSJSBBJTVFJTHN-KRWDZBQOSA-N 442.488 1.460 30 10 IDEE CC(C)(C)CCOc1cnccc1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1682927020 YWAHGXVPURUSSA-UHFFFAOYSA-N 426.477 1.797 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)CC1 1682962224 LCTLUGSLDTZHGA-UHFFFAOYSA-N 448.523 1.889 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCCS1(=O)=O 1689961252 QLKGAYUIBAXQCD-UHFFFAOYSA-N 426.502 1.705 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1690031500 MXRFLWSCXQMUEM-GOSISDBHSA-N 434.500 1.932 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCOCC1 1690089957 RJSLCCXFYVJLCM-FQEVSTJZSA-N 440.523 1.730 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1690245867 NVSDCWIWTVCBRE-ZACQAIPSSA-N 427.571 1.438 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1690527978 VUVCLNUHQYDCDF-AWEZNQCLSA-N 426.930 1.330 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690668814 KEQNAHCJZNIYBV-ZBFHGGJFSA-N 444.540 1.330 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](C)C1 1690672419 RDTDOKRPYIBIMP-BBWFWOEESA-N 448.568 1.981 30 10 IDEE CCN(CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1695656587 QWWLXWYVMMWIET-IAGOWNOFSA-N 446.577 1.861 30 10 IDEE COCCCN(C)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697988970 POSDEXQXAWPERV-UHFFFAOYSA-N 448.531 1.843 30 10 IDEE COCCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1698182062 SRALDPGIQZSKDJ-IBGZPJMESA-N 438.504 1.070 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1705612781 OXERAENREOOHDF-IBGZPJMESA-N 445.589 1.628 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCCO)CC1 1705650929 CXAWUKSLSVSVMH-UHFFFAOYSA-N 427.553 1.268 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1 1705913296 KFTWPKXNFLQFOD-QGZVFWFLSA-N 445.545 1.072 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1709191448 DCBOYLWTJODTRB-SFHVURJKSA-N 439.520 1.312 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)C1 1710346892 NDRRGZUXYXSCFL-RTBURBONSA-N 442.545 1.680 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1711026117 FOQSBKDTPWDHSQ-DLBZAZTESA-N 442.545 1.355 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1711051971 CWHBHEZCPFBCOB-ZWKOTPCHSA-N 426.521 1.708 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722308043 DUPROZFWCOIRTO-SJORKVTESA-N 436.582 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1722382281 GVRACCITIRBPDA-SFHVURJKSA-N 427.530 1.135 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1722403625 YHWSIMZQMQZZPO-KRWDZBQOSA-N 449.490 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCSC2)CC1 1722446490 XYYQOQJQANLYSP-INIZCTEOSA-N 427.578 1.788 30 10 IDEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722455300 JQRWYOVJOWUINY-UHFFFAOYSA-N 433.603 1.956 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C 1722516650 CETQNHPJGYJEOF-QGZVFWFLSA-N 442.630 1.601 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1722689225 QOKKNRRXHDADAC-NYHFZMIOSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 1722695123 UAQUVBLXDICSSK-INIZCTEOSA-N 428.537 1.795 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1722863540 KWPIYBYQTIXAPV-KGLIPLIRSA-N 437.545 1.738 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCNc1ccccn1 1723935470 XEHCGMDVKMPJRZ-MRXNPFEDSA-N 446.581 1.916 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H]1COCCO1 1727003748 NPTHCXUVJRJDRT-WMZOPIPTSA-N 442.568 1.837 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1731141234 FTNPZVLZXSEWPK-YLJYHZDGSA-N 437.548 1.452 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@]2(C)CN(C)C2=O)c1 1740564859 ABVJDKPACBVFOA-WZONZLPQSA-N 436.516 1.664 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740625466 FTKKNAGKXJOJEJ-RBUKOAKNSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740626729 YRQRTMPEUWQVNM-ROUUACIJSA-N 448.618 1.662 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1740743703 BQAZGBWFDNWACB-AWEZNQCLSA-N 428.331 1.899 30 10 IDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1740884951 RNYMVEYQPIMKDV-UHFFFAOYSA-N 437.504 1.063 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1740937653 LHOSUUBDZMCKNV-PKOBYXMFSA-N 428.537 1.778 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740972665 KYCDWARJQCQXDF-QKLQHJQFSA-N 440.566 1.146 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)NC)C1 1740977685 JIWCJWXVODWXIJ-MRXNPFEDSA-N 449.533 1.047 30 10 IDEE Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742837348 WOUKEQYDFQABNJ-VXPUYCOJSA-N 425.468 1.579 30 10 IDEE CCn1cc(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1746353619 PTBMTBIHUHJMLU-LPHOPBHVSA-N 428.541 1.443 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)c1ccco1 1747193808 MKQCXYLYZOKXEF-JOCHJYFZSA-N 437.504 1.909 30 10 IDEE CCOCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1747296664 VFZRVSIQNMCSNK-LJQANCHMSA-N 438.532 1.975 30 10 IDEE CNS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cccc(C#N)c1 1748299436 LIFJZJQOQIAEOT-OAHLLOKOSA-N 448.459 1.886 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748383598 CWPHAWCMLHAUMC-SFHVURJKSA-N 437.548 1.596 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1748697888 ALAJTFSIIUQGFR-SJLPKXTDSA-N 449.581 1.486 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCCC(C)C)CC1 1748984703 PQEUACAVKCHAKX-UHFFFAOYSA-N 449.563 1.739 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2nnc(C)s2)CC1 1748995051 XNWGNRHILRWAQX-UHFFFAOYSA-N 439.593 1.688 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749355514 ICPUJXCMSSIKMY-INIZCTEOSA-N 441.467 1.322 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1)C1CC1 1749519533 MCIVALUQXXWYKT-SFHVURJKSA-N 432.550 1.404 30 10 IDEE COCCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749654959 BDMQFIBKBPAYHK-ZWKOTPCHSA-N 440.552 1.975 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)C1 1749711777 CEMIYLDFDVXULP-HOTGVXAUSA-N 449.581 1.356 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1750384104 NLYDEQVPWOTUGV-VQTJNVASSA-N 427.505 1.477 30 10 IDEE N#CCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CC1 1750389472 ZLLXXYVJOWWCNE-UHFFFAOYSA-N 439.476 1.842 30 10 IDEE C#CCN(c1nnc(C)n1CCCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760181041 OSNKGMWPUPBUTD-SFHVURJKSA-N 426.546 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1OC 1760208451 CUZOCPDQJPGLOR-UHFFFAOYSA-N 446.515 1.741 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1 1760209140 WMJHUDCZZZEYFU-UHFFFAOYSA-N 448.571 1.760 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1760406976 QQMUBXLSGSNWPM-CQSZACIVSA-N 428.603 1.842 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760515159 BLVLMHOMEVWNOC-GJZGRUSLSA-N 430.484 1.526 30 10 IDEE CCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1766949826 ICULFCVMGPZMFX-HNNXBMFYSA-N 442.549 1.661 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN(C(C)C)C(C)C)CCO1 1767711944 CYNPJAVTWSSFSA-FQEVSTJZSA-N 439.564 1.887 30 10 IDEE CCOCc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767828831 LYDQOJZBAFVWIY-VHJGWARJSA-N 430.509 1.204 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCC(C)(C#N)CC1 1768286723 AGUCIJCNOMZAFU-UHFFFAOYSA-N 431.566 1.723 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOCCc2ccccc2)CCO1 1770752156 RVUHQMJOFLWCSA-FQEVSTJZSA-N 438.532 1.779 30 10 IDEE N=C1NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)S1 1772790528 DUDMPECVZKNEJO-AWEZNQCLSA-N 438.421 1.550 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)C1 1772792770 GOBYIDQVYIBPGH-GFCCVEGCSA-N 429.429 1.209 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)cc1 1857223105 BCXQBIOWEFBXCN-MSOLQXFVSA-N 429.542 1.770 30 10 IDEE N#Cc1cccc(C(=O)N2CC[C@@H](NC(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 1858298200 HZNHKLARDWNWIT-GOSISDBHSA-N 430.464 1.965 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862597824 WYBSTPWSQXEKSO-SFHVURJKSA-N 441.396 1.720 30 10 IDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870671219 RPRSUAKUCVBZAK-UHFFFAOYSA-N 436.505 1.332 30 10 IDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562649 MUFNVPLWNJPLGH-UHFFFAOYSA-N 436.520 1.188 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC([C@H]4CNC(=O)CO4)CC3)n[nH]2)c1C 1891069460 ZBXQFHFFRUHRLZ-LJQANCHMSA-N 426.521 1.833 30 10 IDEE C#CCN(CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)C(=O)OC(C)(C)C 1985003817 GXNUMPBGAIXOLU-HOTGVXAUSA-N 425.526 1.591 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2006227831 HRDDZQUQSHQONX-SWLSCSKDSA-N 425.345 1.983 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2060624714 BGBFSZUICMMCBO-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE C#CCn1ncc(N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2133754404 CLOJZCYAPSCIPP-KRWDZBQOSA-N 427.299 1.423 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2223258721 XYKQOLKMPMWHHT-HRCADAONSA-N 440.346 1.412 30 10 IDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255874329 KYEWYACBYKCTGA-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE CN(CCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)Cc1ccccc1 2255947907 GABPSBUCMNPRBY-UHFFFAOYSA-N 448.398 1.520 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CO1 2256019348 ZEVKLRUBWMRLQX-CQSZACIVSA-N 434.298 1.972 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO[C@H]2C1 2267137156 OVNOQFOWHOFKDW-CFVMTHIKSA-N 448.329 1.073 30 10 IDEE Cn1cc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267188236 JNAQFPDJTUIKRK-HUUCEWRRSA-N 446.357 1.562 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2267226951 PGDQKRDCIFEDAT-UHFFFAOYSA-N 449.357 1.519 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@H]1NC(=O)C(F)(F)F 2267271820 URPPMXNDUXXWGZ-TZMCWYRMSA-N 443.275 1.853 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2267547476 LGJSJJCODDHZQD-PMPSAXMXSA-N 444.341 1.904 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)c(C)n1 2296619698 PETGKDQTJIIEOH-FQEVSTJZSA-N 440.475 1.986 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 2337300886 HCWIEDNCBJBNGV-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)cn1 20920549 LDXHVNAIVWPOES-CGOBSMCZSA-N 443.493 1.675 30 10 IDEE CN1C(=O)C[C@@H](S/C(=N/c2ccccc2)NCc2ccc(S(N)(=O)=O)cc2)C1=O 59489294 CTUQHCDEALXREU-MRXNPFEDSA-N 432.527 1.602 30 10 IDEE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1 59879630 USXDSOIDEJFWCZ-KPSZGOFPSA-N 432.514 1.516 30 10 IDEE O=C(O)CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 104857930 JYZYYGUCDGBFJQ-CGRFMXQNSA-N 440.499 1.314 30 10 IDEE COC(=O)C12CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)(CC1)C2 428280118 FAHSOIABZXYIOT-UHFFFAOYSA-N 431.514 1.515 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 460588430 GEXKCUZJQPVGKE-QGZVFWFLSA-N 434.431 2.555 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 461661840 JFCCSGWZDKGRNV-INIZCTEOSA-N 438.465 1.557 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC2=O)c1 464948809 AVNWJYGMQDNTHR-CVEARBPZSA-N 435.488 1.382 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3cccc(N4CCOCC4)n3)C2=O)cc1 487515374 KNBZTOOZMLWQBU-FQEVSTJZSA-N 434.500 1.390 30 10 IDEE CS(=O)(=O)N1CCC(N(CC(F)F)S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 510623191 VYZAGCFAMQJZOP-UHFFFAOYSA-N 425.454 1.377 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@@H]1CCCO1 519215527 LLYLWPBJDHHGOU-INIZCTEOSA-N 427.501 1.342 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCO2 522691670 FKJDJVBYKDVFDU-UHFFFAOYSA-N 431.473 1.895 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)oc3ccccc23)c(=O)n1C[C@@H]1CCCO1 533879729 RZQGGPHUWVBQMI-INIZCTEOSA-N 449.532 1.949 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 549248614 VGXLIPAOUKZXIK-HXUWFJFHSA-N 446.596 1.761 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)CC1 553151520 JVZLREICLNBGGB-JOCHJYFZSA-N 425.577 1.707 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 573290622 HGBWYIQEMJSNQZ-KRWDZBQOSA-N 448.549 1.180 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 573462461 YUWHTZAFRSJYMI-SFHVURJKSA-N 435.550 1.832 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(F)c1 586862065 IOFJRHRFMFMJEW-UHFFFAOYSA-N 448.414 1.782 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 604002045 JKAOILQYDRXSNS-UHFFFAOYSA-N 448.529 1.194 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)c1 672047972 BMLUIQBWZAPAGH-KRWDZBQOSA-N 428.470 1.664 30 10 IDEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730138382 LRLNNJFNTWLPGT-SFHVURJKSA-N 445.589 1.527 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(Br)cc1Cl 731851031 DDFDLQIYRSNCSQ-BUHFOSPRSA-N 434.699 1.907 30 10 IDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 731861449 BPEYJOZWHOAIRX-VZCXRCSSSA-N 446.529 1.363 30 10 IDEE COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 732153008 IURURFJVPGALRL-AFHPDOBHSA-N 442.472 1.555 30 10 IDEE COc1cccc(N2CCC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 735275953 FYCXXTTYAAXZFH-MRXNPFEDSA-N 442.541 1.909 30 10 IDEE N#CCOc1ccc(Cl)cc1COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 735340100 CDTKIPSQMHFZDL-DOMZBBRYSA-N 426.878 1.321 30 10 IDEE COC(=O)[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(C#N)cc1 740177707 FIZCLIYTORYCOA-LJQANCHMSA-N 441.465 1.834 30 10 IDEE COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 742251795 HPIOJLRLQOUAQT-VXPUYCOJSA-N 428.445 1.165 30 10 IDEE C[C@H](CC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742552016 OJLCRTTXANCFBS-CRAIPNDOSA-N 440.525 1.594 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H]2CCN(c3cc(C)nn3C)C2=O)ccc1F 744687679 GJOIAZNAQMHKGK-OAHLLOKOSA-N 436.465 1.294 30 10 IDEE COc1ccc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C#N 746727203 ABUSGFITURTVOY-UHFFFAOYSA-N 434.440 1.928 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CSCc2cc(=O)n3ccsc3n2)CCCCC1 760410273 ZYXPHNHKAMFKFO-UHFFFAOYSA-N 440.572 1.909 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)c2ccc(C#N)cc2)C1 760983722 PLGJXTRGPMBPEO-QGZVFWFLSA-N 431.470 1.990 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C(=O)OCC)cn3)cc2C1=O 761028666 VVKDDDVWWNOEND-UHFFFAOYSA-N 443.437 1.159 30 10 IDEE C#CCN(C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 774195708 KYGMDSWTXYHCKJ-ABSDTBQOSA-N 447.557 1.268 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 779870685 WQEITFGMWSAQKW-IBGZPJMESA-N 430.534 1.209 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 781662739 UWGKAEUNTCPURX-UHFFFAOYSA-N 433.489 1.853 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1 788818888 RPWNWPGRARSHCE-HBMCJLEFSA-N 440.544 1.857 30 10 IDEE Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 794482894 SWIPEOVKBOTDFH-ZSOIEALJSA-N 446.558 1.118 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N=c3cc[nH]n3[C@H](C)C3CC3)CC2)o1 796278110 ATRQAYDOKPOVPY-CYBMUJFWSA-N 426.477 1.842 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@@H]2CCCO2)CC1 802682775 PDDQDAWPASTVRY-FQEVSTJZSA-N 438.532 1.639 30 10 IDEE CSCC[C@H](C(=O)OCCOC1(C#N)CCOCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 809085444 ZXURAEQQANQERG-IXDOHACOSA-N 438.546 1.916 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cccn3c(I)cnc23)CC1 1140626918 KLCRLRGMQVHVLT-UHFFFAOYSA-N 438.225 1.858 30 10 IDEE C=CCn1c(SCC(=O)N2CC3(C[C@@H](O)CNC3=O)C2)nnc1-c1ccc(Cl)cc1 1154865717 FSXSJJBZTGQXJD-OAHLLOKOSA-N 447.948 1.586 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCc2ccccc2NC1=O)/N=C1/NS(=O)(=O)c2ccccc21 1164117220 FAGZNENEINQWTO-DYVFJYSZSA-N 426.498 1.573 30 10 IDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1164624893 CELYLCDKZUYCNN-WMLDXEAASA-N 437.518 1.232 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1171439805 PFAGPCMNBBJOEC-ZIAGYGMSSA-N 431.917 1.693 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286325426 XXNWSLQZWUCWQI-WIYYLYMNSA-N 435.594 1.285 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1286390727 BMFVTUIOSJVVPH-ZWKOTPCHSA-N 444.605 1.953 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1286476683 DMWDADYFLXDVHD-UHFFFAOYSA-N 446.559 1.378 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)cc(OC)c2)CC1 1286478922 DQRKRXNJKDDZDE-IBGZPJMESA-N 443.573 1.301 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286791264 XCSZYZQATFBSML-KRWDZBQOSA-N 426.521 1.443 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nnn(C)n2)cc1Br 1289606227 YIQKMWOEVGGYJQ-CYBMUJFWSA-N 444.297 1.317 30 10 IDEE C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291146373 CJMUMKGWGSNTDO-UFOSLELVSA-N 436.476 1.298 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2c[nH]cc(Br)c2=O)s1 1296031219 NRLDWDCMJQCIJH-UHFFFAOYSA-N 432.321 1.844 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300268021 MLXQFLSHKYNZPB-GOSISDBHSA-N 438.580 1.459 30 10 IDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300372948 XGRBUXRHYYPPMI-OAQYLSRUSA-N 436.516 1.874 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccs2)CC1 1300385077 YRFMEIQJWIBSMC-INIZCTEOSA-N 436.607 1.685 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1300677138 YHNNXHDTNMDYBX-SJORKVTESA-N 446.552 1.715 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)CC1 1300895007 KUXJOTJGACPWPL-TUFLPTIASA-N 449.596 1.752 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301173034 BJHBFBPJDHVKDN-XLIONFOSSA-N 440.614 1.546 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301174131 MXPOKQNJHGQGFT-DZGCQCFKSA-N 439.542 1.514 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C)C1CC1 1301327230 OPENYIKAJFSBQN-IRXDYDNUSA-N 441.598 1.827 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1301475815 ZIBYYMFSIQVFAD-QGZVFWFLSA-N 438.532 1.819 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC)CC1 1301529022 GQJADVHQWDJAIX-UHFFFAOYSA-N 440.548 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1301585453 BCOYVNLPKSPRPP-VQIMIIECSA-N 431.562 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CCC(N)=O)CC1 1301596018 FJXJMTMCASPYGP-MRXNPFEDSA-N 425.555 1.212 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301713963 PGUJPOVEGDOUCQ-OALUTQOASA-N 440.504 1.899 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 1302921712 QHJRSNMQXLRVOA-UHFFFAOYSA-N 439.900 1.199 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCO[C@@H]1CCOC1 1303827015 DJBWOBHAVLBHQH-HZPDHXFCSA-N 440.570 1.214 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1305119177 SJWRMBWVXFGNFD-MRXNPFEDSA-N 435.532 1.790 30 10 IDEE CS(=O)(=O)c1ccc([C@H]2CN(C[C@H](O)COc3ccc(CC#N)cc3)CCO2)cc1 1307955614 CTQLBUICCFRPQV-SIKLNZKXSA-N 430.526 1.969 30 10 IDEE CC(C)(C)OC(=O)NC1CCC2(CC1)CN(C(=O)NCCn1cnc(C#N)n1)CCO2 1312663563 WFOHKPLYXIUMEP-UHFFFAOYSA-N 433.513 1.398 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1314110817 AVZKIFGQSHSODX-LEWJYISDSA-N 434.516 1.775 30 10 IDEE CCOCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1314500138 SPNOIIMOJDPZRE-XUTLUUPISA-N 443.552 1.231 30 10 IDEE C#CCCCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1358906031 SYOVPWMKRHQQCR-BRWVUGGUSA-N 437.566 1.517 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1358956322 DKQOCWGAUWQTCN-QFBILLFUSA-N 442.969 1.698 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358966662 TWJQBWUMDRBFTQ-IBGZPJMESA-N 430.574 1.851 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1358969894 ZJQSBOIYTDSZII-QFBILLFUSA-N 446.552 1.403 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C(=O)NCC 1359021551 SXENUMYOTLPGMK-UHFFFAOYSA-N 441.532 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1359039922 AXZGKTJDIKDKMW-JPYJTQIMSA-N 444.580 1.730 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CC(OCC)C2)CC1 1359044819 PEQWRCJLYCRUJI-MVBMGLOESA-N 445.564 1.068 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCCS(C)(=O)=O 1359089800 PFCIBJISNJWCEF-CVEARBPZSA-N 427.571 1.268 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359137022 BRZDNWXEJHCCDJ-HAGHYFMRSA-N 436.553 1.979 30 10 IDEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1359227761 LBRKQVJNEBABFN-UHFFFAOYSA-N 426.489 1.975 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359299177 XRASRLRYVSWPCH-ZWKOTPCHSA-N 446.552 1.086 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1360274432 KQTRULRAQJZUQZ-HSZRJFAPSA-N 435.532 1.788 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)s1 1444210356 OXOZYKHINNWLFF-KRWDZBQOSA-N 433.555 1.985 30 10 IDEE CC(C)(C)OC(=O)NC1(CC(=O)NCC(=O)NCC#N)CCN(Cc2ccccc2)CC1 1449131209 KGTFZTSWHICNOC-UHFFFAOYSA-N 443.548 1.692 30 10 IDEE Cn1ccnc1[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)c(F)c1 1463290364 RSUAOZVPCDPCNS-GOSISDBHSA-N 445.451 1.643 30 10 IDEE CN(C[C@@H]1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1)S(C)(=O)=O 1467929275 SUFFJXSFRHTYMT-HOTGVXAUSA-N 430.571 1.704 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)s1 1469476405 DCJRGOODRBUIPM-KRWDZBQOSA-N 434.543 1.990 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1470629267 YIQWTEYVMJEUPX-UHFFFAOYSA-N 431.518 1.964 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1494699736 VTSYCNSGJWGZSK-MJWGMMHASA-N 443.552 1.597 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cnn(C)c2)c1 1507553325 ZVKBFGLJYBDJRV-UHFFFAOYSA-N 446.515 1.239 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1507631824 GOZPEPJJOGSOGS-AABGKKOBSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1507651888 CMSDISUJHCZTQE-MRXNPFEDSA-N 449.577 1.556 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCCC1 1507652761 IZDNILDCDLXCAQ-SFHVURJKSA-N 433.578 1.654 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1507707053 RAUFCLBDIJTBAZ-UHFFFAOYSA-N 425.942 1.576 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ncc(C)s2)CC1 1507731458 JCQHTQFZGIQAPK-RDJZCZTQSA-N 448.618 1.504 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC(C)CC2)CC1 1507734362 WIWPZJMXHGSJOF-UHFFFAOYSA-N 443.596 1.114 30 10 IDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1507744154 IRVBRYGQSHPQEM-UHFFFAOYSA-N 437.367 1.739 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1507803810 HCGYVEIPLCLCJB-JJTUDDRGSA-N 427.571 1.483 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1507835118 LRTBAFXZIOYOPE-XLIONFOSSA-N 441.598 1.614 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507937280 RLHQLJKQQBOLTQ-UHFFFAOYSA-N 445.568 1.090 30 10 IDEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507958873 JKXKYUZZPZYTEF-QGZVFWFLSA-N 444.923 1.338 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCOCC1 1508025465 NNXKKFRBMDVPPM-UHFFFAOYSA-N 429.521 1.884 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1508079539 YICRLALKASDZCP-GOSISDBHSA-N 433.516 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1508140976 RLTVVJJSSCYQEB-YOEHRIQHSA-N 433.534 1.733 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1508661702 IKJINZCZXLOHPA-HUUCEWRRSA-N 433.513 1.263 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1509814172 FLHNWSMEPDXZQQ-YJBOKZPZSA-N 446.474 1.542 30 10 IDEE COCC1=CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1518823428 XNYZUZDAKYSVJB-XUTLUUPISA-N 437.504 1.593 30 10 IDEE COCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1519402483 SHEYBQXCEWQLEL-OAQYLSRUSA-N 441.467 1.297 30 10 IDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1c2ccccc2C[C@@H]1C 1525892341 ZVKSDJFDRLAQCU-HOTGVXAUSA-N 440.525 1.975 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1F 1538672985 FLHGRKXZSUOHET-OAHLLOKOSA-N 447.488 1.834 30 10 IDEE C#CCCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539086459 GAQNRQXCOUZFGC-QHCPKHFHSA-N 446.596 1.332 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1539205696 JHYPYQVRAKJGCJ-USTRKRCUSA-N 436.578 1.912 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539219954 GFDOXNQGWBATQG-BDXSIMOUSA-N 449.577 1.061 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CCCCS2(=O)=O)n1 1539424460 PZUQSEKMFUCSNK-LJQANCHMSA-N 448.593 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(C)CCCO2)CC1 1539469708 UWMALERAKZAETM-PKTZIBPZSA-N 445.564 1.465 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1539749969 FMLJEDCSHSBIOZ-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539787063 GZYROOHITRMPMS-ZDUSSCGKSA-N 439.925 1.896 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1540034191 YEWVAUJWKJXKDK-GOSISDBHSA-N 429.525 1.441 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)C1CC1 1540864339 XALXYZPQVSNPSA-UHFFFAOYSA-N 431.566 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCc2c(ccnc2O)C1 1540866732 YNOUSTRWARXQRM-UHFFFAOYSA-N 425.880 1.959 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C 1540869748 VOHWMPRNTKXNKD-PXAZEXFGSA-N 430.459 1.933 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1540888935 BCGMAOXFSSJRJI-WOJBJXKFSA-N 440.596 1.790 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)cs1 1542913721 IINWSIIWJQIVOV-INIZCTEOSA-N 427.531 1.015 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC2)nc1 1557597003 VLBOLQOWPMYNMG-UHFFFAOYSA-N 426.498 1.668 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)[C@@]4(C#N)CCCOC4)C3)[C@@H]2C1 1558066338 QHGOAGDIZRQUAX-YUWJWYLASA-N 434.493 1.348 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@@H](C)C1 1587598648 DOGUVVBDEPYNHP-MOPGFXCFSA-N 449.563 1.880 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(=O)NC(C)C)c1 1587689924 SWCIBYNCTNLSQY-UHFFFAOYSA-N 432.488 1.316 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1587825574 YVIJITKKSRMPGL-INIZCTEOSA-N 444.960 1.025 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588029054 CWBPMCFJVOJYDS-OALUTQOASA-N 437.610 1.385 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)CC1 1588199767 ZBUGQQMHXIFICV-UHFFFAOYSA-N 442.563 1.345 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC[C@@H]2CCCO2)CC1 1588930090 NIOOOHGAMHNONX-UXHICEINSA-N 445.564 1.334 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1 1589258906 DCJHVAKMKMGLIK-YCRPNKLZSA-N 441.540 1.914 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)C1 1595721983 IFBKYIKUUJPDSW-BZUAXINKSA-N 444.648 1.810 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2COCCO2)C1 1595743726 FDVRNLHEKFKAJE-IRXDYDNUSA-N 447.561 1.856 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1596781278 AGEICDAVHMRTLX-HUUCEWRRSA-N 448.549 1.694 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1613987329 IYGTYYMRELBFHA-HZPDHXFCSA-N 425.537 1.875 30 10 IDEE COc1ccccc1CNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccccc3)S[C@@H]12 1614586266 OTUUTASEVLSLNQ-PPLKHSGQSA-N 427.526 1.814 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1614978132 BEZCSYHMXXLBCV-UHFFFAOYSA-N 447.499 1.898 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1 1615448165 NAIRCMQNMSZPFV-HJWRWDBZSA-N 426.561 1.431 30 10 IDEE CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132089 QRHBLALYHKXFFS-HTQZYQBOSA-N 432.333 1.897 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1620083504 AFUNSOABTPYAPS-FPXVKDQESA-N 430.509 1.517 30 10 IDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1620148667 AAWNJAZAFPQECD-MAUKXSAKSA-N 425.530 1.971 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 1624468277 RLFKVCOOIOTVLD-UHFFFAOYSA-N 442.545 1.504 30 10 IDEE COCCN1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1625970402 BQDZXYGLBZKOMK-LJQANCHMSA-N 428.489 1.667 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@H](Cc3cccc(OC)c3)C2)s1 1631059454 ACPQJQXSJGQLAO-QGZVFWFLSA-N 449.598 1.807 30 10 IDEE CCN(CC)C(=O)CN1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1632787593 HZCFGDGRENDAAL-SFHVURJKSA-N 437.585 1.976 30 10 IDEE Cn1nccc1C1(O)CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1633017474 IHLMHWZIZMHIES-IBGZPJMESA-N 437.500 1.856 30 10 IDEE C#CCn1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)cn1 1634635912 KQXZQKLSDJZGDG-IBGZPJMESA-N 444.289 1.362 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1637229230 VWPWDDPRSZXSDX-KRWDZBQOSA-N 435.532 1.730 30 10 IDEE C#CCN(C(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1)C1CCN(C)CC1 1645259482 OTWFTNCJSQWPFY-UHFFFAOYSA-N 429.908 1.993 30 10 IDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1645502790 HXAUSWJHDSLEED-OPAMFIHVSA-N 431.489 1.785 30 10 IDEE CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1cc(C#N)cs1 1648456607 VHGZEEJMLLLLIC-UHFFFAOYSA-N 434.543 1.711 30 10 IDEE C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1)C1CCOCC1 1648932237 VIRVICRAAZLTCO-IBGZPJMESA-N 443.525 1.727 30 10 IDEE COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653760292 UOCANRDXWIERNP-UHFFFAOYSA-N 425.832 1.970 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)c(=O)nc1O 1653760318 VDHKKQQMRVIBAT-ZDUSSCGKSA-N 448.266 1.564 30 10 IDEE CCN(CCC#N)C(=O)CN(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1654258288 IFBKDTJRZMTOJE-GOSISDBHSA-N 437.585 1.928 30 10 IDEE COc1ccc([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCO2)cc1OC 1655890714 JJQSTRZJINTPKJ-UGKGYDQZSA-N 430.549 1.769 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 1664550692 CNWZUJNCSITXIF-UHFFFAOYSA-N 431.461 1.877 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OC 1666159705 XDNXSFLJPXDGED-GFCCVEGCSA-N 437.287 1.863 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1 1670882089 CGYWOOGAJFOLLF-AWEZNQCLSA-N 427.489 1.810 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)NC)cc1 1673393769 SCQNZZPRBHJCHU-LJQANCHMSA-N 430.530 1.972 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1682226640 OBPPSWQFWJKDFA-UXHICEINSA-N 426.517 1.934 30 10 IDEE Cn1ccnc1[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)cc1F 1685603986 WOGIECARDHVJMB-MRXNPFEDSA-N 441.398 1.188 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)C)c1 1689868451 HMXXDMCEIPQBAT-INIZCTEOSA-N 425.537 1.423 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689998118 BUSNWJZFBLEUPF-BZUAXINKSA-N 442.632 1.605 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(F)cc1 1690019760 QWSTUYYZYRQNIU-DLBZAZTESA-N 430.505 1.860 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1690030567 YUYHMWKGAMUYPI-CALCHBBNSA-N 442.564 1.894 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2ccnc21 1690092568 NABWVIDGRWHZNV-QGZVFWFLSA-N 434.504 1.786 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1690094008 PVJYXLZHNWHNTE-SJORKVTESA-N 447.561 1.541 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1690103233 BFQAQRYLISRKAX-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1690328007 CKZBGZLTMCKTKF-AWEZNQCLSA-N 443.961 1.259 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690503528 DUYMQBCFRZPXOJ-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690722401 HYHPOGRZQQSBGV-INIZCTEOSA-N 442.549 1.138 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1691431283 PPOQAZNMCWOGCM-FMQUCBEESA-N 441.536 1.062 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCN3CC=CCC3)CC2)c1C#N 1693407346 UYAONCGWINIZJO-UHFFFAOYSA-N 437.596 1.979 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(C(=O)NC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694036169 KROAPVSHCFDWJV-SHUBJWRZSA-N 429.525 1.280 30 10 IDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1697984130 YGTPIVAQRNEKTL-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)CC 1705480981 ZTQDKMFMTHVADA-MMEWPQADSA-N 436.607 1.773 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(CCOC)c1 1705501510 ZVXRKMGFSVGBCD-OAHLLOKOSA-N 427.534 1.619 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705540098 MWCCCLXCZSPLRI-ACRUOGEOSA-N 431.581 1.964 30 10 IDEE C#CCN(c1nnc(CC)n1CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570767 QQLZIXFBBWTOOY-MRXNPFEDSA-N 439.582 1.724 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1705597733 OSZRIOXKDHYEHW-SFHVURJKSA-N 440.454 1.598 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705659896 IWQZRIZRYBOLHG-HOTGVXAUSA-N 427.596 1.404 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705690865 JWLJBBCTCQRZHO-UHFFFAOYSA-N 427.303 1.244 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705696031 DTRMZHHRLSTOIT-GFRNBQLOSA-N 430.597 1.947 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1705769030 GWMQOGKJLAIWJI-BZSNNMDCSA-N 439.582 1.583 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NC)C1 1705915101 AIAOMMFJEARYNJ-JTSKRJEESA-N 435.569 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705933654 OFWSCPJONZEJEB-CYBMUJFWSA-N 438.941 1.261 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1705992993 WCNYMLUHAYMSGG-DPHDRGAJSA-N 427.509 1.129 30 10 IDEE CC(C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1Cc1ccc(C#N)o1 1706319426 ZULJKWWLEKUMPR-UHFFFAOYSA-N 445.505 1.554 30 10 IDEE CC[C@@]1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1708866252 SBTQFNYOBKJXIO-KAGJPUAJSA-N 430.509 1.661 30 10 IDEE CN(CC(F)(F)F)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1711064514 WSCNELXYDPAPJO-WUKNDPDISA-N 435.410 1.789 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1712596764 WMJXHIOZRPDDAW-MRXNPFEDSA-N 434.447 1.440 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722308734 PVBFAQQVDHBQKL-IAGOWNOFSA-N 439.582 1.466 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722359750 ANDMWNNLDHZNOF-QGZVFWFLSA-N 438.513 1.419 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCOCC1 1722409811 HIUUUTPKBOAZAM-UHFFFAOYSA-N 433.516 1.872 30 10 IDEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1723027288 GLTIRXCCPJCWFZ-HNNXBMFYSA-N 447.540 1.546 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1723778710 ICSIQKBQNJHGIX-SJLPKXTDSA-N 448.549 1.428 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1727217642 ZXQNPZDXCVWFOT-UFOSLELVSA-N 429.525 1.712 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(=O)(=O)c2ccccc2)cn1 1729568521 CZAGLHWCEGSAQA-LJQANCHMSA-N 444.496 1.099 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1730923260 BNOOEBISLOLMQK-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1740685048 ARUNKQFYEKADMB-MOPGFXCFSA-N 443.573 1.781 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740763152 ZBEFSAGTAAVSBG-CVYDXHPNSA-N 437.566 1.224 30 10 IDEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740889461 CIBIESPDTFAVJA-CWLKWCNXSA-N 440.548 1.626 30 10 IDEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1740909614 RZVILVSIDHKWOS-LJQANCHMSA-N 426.569 1.776 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(C)=O)nc2)C1 1740979798 LMLHJGQCLPJCGL-DLBZAZTESA-N 425.493 1.412 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCOCC2)C1 1740986012 PMBSJTVCJPOMCL-KSZLIROESA-N 449.552 1.066 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1747218693 BTPLKVCDWMAUBQ-AWEZNQCLSA-N 426.399 1.928 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1nc(C)no1 1748776662 LKPSILBXIJQQGN-UHFFFAOYSA-N 443.533 1.589 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CCC)C1 1748960247 FIPBXVGUGIQKMM-KRWDZBQOSA-N 428.537 1.824 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1749303731 OAKYBWVWWIFWJK-HZPDHXFCSA-N 428.580 1.161 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1)C1CC1 1749520124 ZPZGBIKSPLPXGG-QGZVFWFLSA-N 435.554 1.031 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1749555301 GOEZAUIPORXHSJ-RWNPKEDZSA-N 438.488 1.323 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749651188 PHKWHHRWZGTCED-CABCVRRESA-N 430.484 1.526 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749701967 ZUVMTEPUTHXELY-LJQANCHMSA-N 441.536 1.633 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1749760231 GHWHSYWFJUSXRV-UHFFFAOYSA-N 434.591 1.857 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1750082126 FUJNGBZFZXACTN-GOSISDBHSA-N 426.521 1.784 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCOC2)c1 1760128413 HPDWYSDUULOGBI-FDDCHVKYSA-N 439.516 1.380 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCC(O)CC2)CC1 1760262314 LLXDKMMGWVVCMT-UHFFFAOYSA-N 440.567 1.610 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCn2nc(C)cc2C)CC1 1760265201 RHFBEQZXBKDTJK-SFTDATJTSA-N 441.580 1.661 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1760355209 BJQXNZSIKGUGEU-UHFFFAOYSA-N 446.533 1.667 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760520799 ZWYCGYFOLHXMTO-INIZCTEOSA-N 442.520 1.971 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760537606 PTVRTCACZSMSIX-DLBZAZTESA-N 435.550 1.909 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1760566639 ZEHKHJCBUFEIHH-HUUCEWRRSA-N 447.652 1.472 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1760696202 GABLDAXFSDSRSF-INIZCTEOSA-N 444.565 1.440 30 10 IDEE C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1761425951 FFAJWQIBDMMAPG-LZLYRXPVSA-N 425.541 1.456 30 10 IDEE C[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1762924747 DQFFBCXGLFHEQN-HNNXBMFYSA-N 441.517 1.913 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCCOC 1763758409 ABISFKUYTSJYRG-IRXDYDNUSA-N 428.541 1.831 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1767383685 WIBUMPPUQWYMNC-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768166775 QBAIHXFXSGKTIJ-LSGABVIPSA-N 437.504 1.872 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCC1 1770040191 BEMAYVGSGHTVRK-QGZVFWFLSA-N 441.536 1.510 30 10 IDEE CN(CCCC(=O)ON1C(=O)c2ccccc2C1=O)C1=NS(=O)(=O)c2ccccc21 1772790393 NQZXQINBTATYEP-UHFFFAOYSA-N 427.438 1.602 30 10 IDEE COC(=O)[C@@]1(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)CCOC1 1851008574 GJUOXDIDFQFSMW-JOCHJYFZSA-N 426.448 1.910 30 10 IDEE CN(C)C=NC(=S)N(C(=O)C1CN(S(=O)(=O)C2CC2)C1)c1ccc(Cl)cc1 1852248585 YAQZIQIIYDIJOI-UHFFFAOYSA-N 428.967 1.972 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCCN2CCN(C)CC2)c2cccn2C)c(C)c1 1853525991 QJJRCJPFGADVEF-UHFFFAOYSA-N 433.578 1.546 30 10 IDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCO[C@H](c4ccccc4)C3)ccc21 1853886477 AHXMNJKDFHWBAI-IBGZPJMESA-N 425.466 1.778 30 10 IDEE CCOc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(C#N)c2)C(=O)C1 1854011798 YIGCYRDUWJICIZ-UHFFFAOYSA-N 427.482 1.939 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)C(=O)C12CCCCC2 1854403294 DIEGVUOHEYTJLI-UHFFFAOYSA-N 439.921 1.946 30 10 IDEE C[C@@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854438421 STGVZRDNXLLPNI-OAHLLOKOSA-N 437.493 1.820 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@H]1C 1854752214 ZHMHMUFBQMKDOU-HZPDHXFCSA-N 425.576 1.784 30 10 IDEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861514458 CMHSYFVYPNPTOP-OAQYLSRUSA-N 449.507 1.962 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)cc1 1862606431 RISRKIDCUFCSEG-HXUWFJFHSA-N 438.436 1.878 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664756 WYKDFEIMLLQEMH-UHFFFAOYSA-N 425.537 1.390 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)NC(=O)OC(C)(C)C 1902005578 INUXDNNZMDZJRH-BZUAXINKSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2060634940 FSAIPSODTWOFJY-UHFFFAOYSA-N 437.346 1.616 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2247829173 KLVHSOVFFPAEHW-ZIAGYGMSSA-N 444.359 1.878 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255626921 LYFUGEVZABNVER-ZDUSSCGKSA-N 438.334 1.057 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)n1 2255630350 IYYYSPJEPRVJPN-UHFFFAOYSA-N 434.346 1.941 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255844116 QXRNVSUKQLTCKM-JOCHJYFZSA-N 443.378 1.809 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255875985 IAPGPCACVQVGCB-ZDUSSCGKSA-N 437.350 1.393 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255925757 BVOVRKKQKRXUQR-CQSZACIVSA-N 436.314 1.307 30 10 IDEE CO[C@H]1[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2256675803 SZTZYAQBPQUIHP-OWCLPIDISA-N 438.330 1.387 30 10 IDEE Cn1ncc(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267014311 XHOZYOVJPVUHII-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE CC[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267226902 XOBLODAJAZFFGX-GOSISDBHSA-N 439.369 1.851 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2267597201 OZEGKAJPDCBBCS-MGPQQGTHSA-N 447.345 1.242 30 10 IDEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267607136 ITZNTCKTXRPGJC-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268798374 JXJPPEVAJJGYBN-QHCPKHFHSA-N 446.353 1.974 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(CC(=O)O)Cc1ccccc1 2268977854 FEGIVIUSFMVOAS-UHFFFAOYSA-N 442.325 1.036 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2272635697 DLEWBVCKEMPPHO-ZSEKCTLFSA-N 447.345 1.101 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@H]1CCN[C@@H](C(=O)C=Cc2ccc([N+](=O)[O-])s2)C1 2328106894 TZINLOBDXRRKCC-DOTOQJQBSA-N 442.497 1.905 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2341156157 FDDVYFJKRYOPEE-IHRRRGAJSA-N 447.345 1.242 30 10 IDEE NC(=S)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccc([N+](=O)[O-])cc1 254306999 CUBWLRUJTSEZTO-OAHLLOKOSA-N 443.401 1.423 30 10 IDEE CN(Cc1ccccc1)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 261396767 BVSQPGDQHOZTEY-OAQYLSRUSA-N 428.558 1.357 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@@H]2CCCO2)c1=O 440386516 SQMHSEMUFSHQKB-INIZCTEOSA-N 427.526 1.552 30 10 IDEE Cc1ccc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1S(=O)(=O)NCC#N 444538487 CPNKKPAGFQEVKB-UHFFFAOYSA-N 442.476 1.506 30 10 IDEE COC(=O)CCOc1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460764830 CANQVIUNUGIPEZ-UHFFFAOYSA-N 427.442 1.882 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc3nccnc3cc2F)CC1 470745571 PYAXHWCJKIDQNK-UHFFFAOYSA-N 425.445 1.787 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccc(F)cc3)c2=O)o1 471201536 AUDDRUPIIMYLQP-UHFFFAOYSA-N 441.484 1.459 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478754402 JKVRAOAWHQMDJG-QGZVFWFLSA-N 428.558 1.984 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccnc1N1CCC(CO)CC1 487753397 UOVRTMGOBWWRGA-HNNXBMFYSA-N 443.529 1.467 30 10 IDEE Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc21 505622935 RIMBFJSFNUKFSE-UHFFFAOYSA-N 438.532 1.958 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 506120288 BOXWXHAGFMYJFG-CQSZACIVSA-N 439.501 1.510 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@]2(CCOC2)C1 508462846 ASODEOVOZBKHRU-FQEVSTJZSA-N 432.550 1.728 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(F)cc1 514492493 FKYDEOYHJHDDDS-ZDUSSCGKSA-N 443.525 1.754 30 10 IDEE C=C(C)CN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 517317540 LJFSFFRZCTUBSM-UHFFFAOYSA-N 442.607 1.609 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccs2)CC1 517591282 BGFSEZORNVIPBK-UHFFFAOYSA-N 443.577 1.048 30 10 IDEE O=C(NCc1ccco1)[C@H]1CCCN1CC#CCN1CCC[C@@H]1C(=O)NCc1ccco1 530411501 IBRPWTVXORGJRY-FGZHOGPDSA-N 438.528 1.737 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](COC)c2ccccc2)cc1 536715084 INJWKHINLTZBSN-IBGZPJMESA-N 431.514 1.936 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(C4(C#N)CC4)cc2)CC3)CC1 550086205 AYUCWXDEVHPHFB-GOSISDBHSA-N 446.555 1.818 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 569164463 HXDNCPPVZYIQQE-UHFFFAOYSA-N 448.451 1.964 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CCS(C)(=O)=O 573750443 QYYXOQVOWRHIOY-GDBMZVCRSA-N 427.548 1.041 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)[C@H](CC)C(=O)OCCOCC)cc21 586315037 UFZOTQFWPFSQBM-HZAQMHFWSA-N 437.514 1.888 30 10 IDEE CC(C)C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 619104070 ITTUEFRLSWSQRY-SLFFLAALSA-N 435.528 1.968 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1C[C@H]1CCCO1 728557885 UMGHANHCQILDNQ-GOSISDBHSA-N 442.585 1.556 30 10 IDEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732154997 WSXVSXOGIXIQIK-KDDVOAFDSA-N 431.468 1.292 30 10 IDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1C#N 746767859 CRRVOBFBJWNNGR-UHFFFAOYSA-N 435.531 1.548 30 10 IDEE CC[C@H](CO)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 759631917 MSVNCWJGWVSWQT-QGZVFWFLSA-N 436.578 1.201 30 10 IDEE C#CCN(C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774163220 DSWHLFULXJJYOR-QFBILLFUSA-N 439.965 1.545 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@H]3c3noc(COC)n3)ccc2c1=O 780749232 DIJPOUPYAXZJNQ-HNNXBMFYSA-N 443.485 1.614 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CCC2CS(=O)(=O)C2)C1=O 786688602 SNKWGRJRMMHURJ-HNNXBMFYSA-N 427.523 1.636 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1 789322810 CESMENZLGJBPNQ-UHFFFAOYSA-N 427.896 1.838 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1noc(-c2cccc(F)c2)n1 793853865 XGQBYNKTKTZJKF-UHFFFAOYSA-N 429.433 1.621 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 794581243 RVFCNBNGJZMPLM-INIZCTEOSA-N 449.536 1.399 30 10 IDEE C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)n1cnc(C#N)n1 798927711 UWXQVPIPLOLBCM-HZPDHXFCSA-N 445.524 1.029 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C)n1 809868910 ZWTCHKMEWMTKKP-UHFFFAOYSA-N 428.518 1.368 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 809890245 YBYSRMDIXIGBJB-HRAATJIYSA-N 435.525 1.768 30 10 IDEE COC[C@]1(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCN(C(=O)OC(C)(C)C)C1 811061669 YYJRKTGTNCGJSN-QFIPXVFZSA-N 429.521 1.875 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(CCO)nc1C1CCOCC1 856617392 NXTPYIRKKIENPJ-UHFFFAOYSA-N 425.533 1.845 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NCc2ccc(S(N)(=O)=O)cc2F)cc1 863999494 FCSXAFNZYWTOGX-RELWKKBWSA-N 440.522 1.898 30 10 IDEE Cc1cccc(S(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 916778228 TUZMZCMYJIXNSC-KRWDZBQOSA-N 449.554 1.953 30 10 IDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 917035638 RVZJMYPXRPHHEA-SFHVURJKSA-N 440.500 1.660 30 10 IDEE C#CCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)[C@H]1CCS(=O)(=O)C1 1125884762 YHGXMNSZQKZINU-INIZCTEOSA-N 440.477 1.647 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCC[C@H]3N3CCC(O)CC3)C2=O)cc1 1152693324 GYFQDKLFHMDASW-XUVXKRRUSA-N 439.516 1.257 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1cc[nH]n1 1164154942 GDBPWAOSPSOBBM-UHFFFAOYSA-N 438.488 1.346 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCOCCS(C)(=O)=O 1286296783 SBQSBWSDQWIEKL-AWEZNQCLSA-N 426.489 1.666 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(OC)CCOC2)c1 1286309006 FYVRXFWFTWAXPU-QHCPKHFHSA-N 449.515 1.540 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286314879 SOONMONXYHTUSY-KKSFZXQISA-N 449.552 1.929 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1286388113 YIFWPODIPAOPER-QGZVFWFLSA-N 442.501 1.150 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1286416412 RFLOWSJSYYJJLV-QFIPXVFZSA-N 436.541 1.353 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1286447593 MTCHQPVKDYXFDR-GOSISDBHSA-N 432.550 1.017 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2nnnn2CC2CC2)CC1 1286486478 MGXBYEGHBACPOZ-OAHLLOKOSA-N 425.541 1.202 30 10 IDEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286635882 FHSITUXTSFKKOM-INIZCTEOSA-N 435.912 1.960 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C 1286758027 BCCWVDOOBBUXSQ-BZSNNMDCSA-N 439.582 1.462 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](COC)C1 1286786086 NGNZAONTCBGYFL-OAHLLOKOSA-N 437.504 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286817996 ALKBPTFXWLXSJK-UHFFFAOYSA-N 446.577 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286821574 PMJYBMQRMCMGOU-GOSISDBHSA-N 436.582 1.488 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(C(C)(C)C)no1 1288825715 KCAVBKBKFDATQL-XIKOKIGWSA-N 439.517 1.664 30 10 IDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)COCCO1 1289053372 YXKYSLUKVFBROF-JOCHJYFZSA-N 440.504 1.093 30 10 IDEE Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1290743991 UHZLYBLRPBIOTR-SKQREZPOSA-N 426.477 1.892 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1300282264 GPKGELMQEAYDHJ-MRUHUIDDSA-N 447.561 1.193 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1300363636 FUDMLUYEELTUIQ-UWJYYQICSA-N 436.578 1.758 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@H](O)C1 1300654983 MRTCLIQREYMCKB-XLIONFOSSA-N 436.520 1.558 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1300689146 QFFZOXZKEHUYAB-QHCPKHFHSA-N 425.533 1.879 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCOC)CC1 1300689512 WTOHCMBWFGYZQQ-UHFFFAOYSA-N 431.562 1.530 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(C)(C)O)CC1 1300698107 NLZNTQHXNUFEEC-UHFFFAOYSA-N 435.532 1.201 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C(=O)NCC)CC1 1300706687 RFFCTFHQTRXVDN-UHFFFAOYSA-N 426.569 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNC(=O)Cc2cccc(F)c2)CC1 1300725836 DUMFXXHCRSDDLF-UHFFFAOYSA-N 440.523 1.304 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 1300778761 HPPZBCVWDMOUMQ-ICSRJNTNSA-N 449.621 1.670 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 1301002957 BIOUIPYEWLMFMY-RDJZCZTQSA-N 432.550 1.303 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)OC(C)(C)C)CC1 1301067133 XALDVSRNUKMNEU-AWEZNQCLSA-N 428.559 1.569 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1301484981 PKNUOINEKIYMTD-IAGOWNOFSA-N 429.546 1.886 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(C)(OC)C2)cc1 1301518949 NSJXDEBBCCNYIN-OAHLLOKOSA-N 435.550 1.727 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)CCCO1 1303403831 IPSPRLWBIKYZGH-QFIPXVFZSA-N 438.536 1.579 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCCOC1 1303808272 DDGGWPOANNPHDS-CRAIPNDOSA-N 432.550 1.823 30 10 IDEE C[C@H](CC(=O)NCc1cc(C(F)(F)F)n(C)n1)/N=C1/NS(=O)(=O)c2ccccc21 1304884541 SPWMTIMSFKGNGY-SNVBAGLBSA-N 429.424 1.572 30 10 IDEE C[C@@H]1C[C@@H](C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1304922837 BXQQGPOPMXTNNM-ZEVGMECHSA-N 441.536 1.409 30 10 IDEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1306466943 NFUTUAXDFSKRRE-ONEGZZNKSA-N 433.516 1.710 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@@H]1C 1316124866 BEYUDAMJVCYFFX-SFHVURJKSA-N 439.564 1.888 30 10 IDEE C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1316501505 VGHBFOMSTLJKQJ-IWAYJWFOSA-N 437.504 1.404 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1342263349 PCJCVHIOXUYIBP-HUUCEWRRSA-N 426.491 1.413 30 10 IDEE N#CCCCCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1349489388 RVJODLJOHCKDOE-UHFFFAOYSA-N 440.909 1.588 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1358927157 OVWNLBRWOGVBFB-UHFFFAOYSA-N 446.559 1.530 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358967784 RZTXUQQDKPIMDZ-SLFFLAALSA-N 449.621 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCC2)CC1 1359040394 SQPGJNNQXHTNPV-UHFFFAOYSA-N 442.564 1.175 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N[C@H](C)CC)CC1 1359044263 ASBCSRPYFVXCFE-MJGOQNOKSA-N 444.580 1.790 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1359089429 IWKJSFXTGVCNAJ-QZTJIDSGSA-N 445.568 1.347 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359306400 FIQBVAMXVLQDLI-GPMSIDNRSA-N 430.553 1.310 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359346918 ZOPQHSISHBUUJO-JXFKEZNVSA-N 437.566 1.879 30 10 IDEE CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435488987 BOVOPTVUUNRAOK-WBMJQRKESA-N 427.935 1.511 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#C[C@@H]2CCCCO2)o1 1457032297 RTYVSPWDILRSDN-JKSUJKDBSA-N 438.502 1.298 30 10 IDEE N#Cc1cc(NC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)ccc1N1CCC(O)CC1 1466018559 YQNBYYJUWRLMQL-CABCVRRESA-N 431.436 1.681 30 10 IDEE C=CCn1c(SCC(=O)N[C@H]2CN(C)NC2=O)nnc1-c1ccc(Cl)cc1Cl 1466409311 BQFAAGMYEFLXPL-ZDUSSCGKSA-N 441.344 1.991 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(=O)NC1CC1 1503069232 UNEGMEIHHKQZPJ-UHFFFAOYSA-N 425.493 1.408 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C(C)C)C[C@H]1O 1503881228 LRNXQFLKMDRHSK-HMFYCAOWSA-N 427.505 1.584 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1507589345 WDHOTJIGJJIUIY-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507670874 AINFDFRAYRZWHT-QFIPXVFZSA-N 447.587 1.670 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1507746691 SMBFGYXDIOIEOG-MAUKXSAKSA-N 427.596 1.262 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1507791631 ONNKOJZJGQHVRN-OALUTQOASA-N 444.580 1.846 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507934703 GFZBQWAMAVYNIN-AEFFLSMTSA-N 429.569 1.375 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2)CC1 1508090967 QPJNWILLYLRIBK-GOSISDBHSA-N 425.533 1.962 30 10 IDEE CC1CCN(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1512355890 VEDKEXRYWHZVPZ-DENIHFKCSA-N 432.569 1.779 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C(=O)OCC)c(C(F)(F)F)s2)C1=O 1522611509 CTMHOZZBTOBUBU-UHFFFAOYSA-N 434.352 1.254 30 10 IDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc(C#N)nc1 1529906412 CDGGWJRWHWSUNX-GOSISDBHSA-N 429.521 1.908 30 10 IDEE C#CCN(C(=O)C[C@H]1C(=O)Nc2c(Br)cccc21)[C@@H]1CCS(=O)(=O)C1 1537469580 YPRFNVHRDIKJOM-DGCLKSJQSA-N 425.304 1.524 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1539232051 YWLQKPZCZBHEHE-MUGJNUQGSA-N 448.589 1.985 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1539283842 BAIFGGBOSOWGOR-SFHVURJKSA-N 448.518 1.333 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1539362330 XPSBXGVOJMBCQJ-KRWDZBQOSA-N 436.516 1.940 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1539453787 RNFJJSKAGSXLNL-UHFFFAOYSA-N 443.555 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ncccc2N(C)C)CC1 1539477526 PNWABQCMEQFIDL-UHFFFAOYSA-N 445.531 1.210 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1539548563 QEFHGVKDHYUTTJ-OAQYLSRUSA-N 447.561 1.846 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539702032 XMVHASXFMMBFQJ-INIZCTEOSA-N 425.493 1.347 30 10 IDEE C=C(C)Cn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1539723709 YKUJWSRHPDJKLB-JOCHJYFZSA-N 443.552 1.940 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1c(C)nn(CCC#N)c1C 1539733177 MJMXQMVBFGVDGW-UHFFFAOYSA-N 432.502 1.962 30 10 IDEE C=C(Cl)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539779297 TXDTZNPWZQKPGS-SJORKVTESA-N 428.924 1.720 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1540176942 ICZAPJBKOITLDB-HSZRJFAPSA-N 426.565 1.718 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1540867084 JZERNHOTMSHTJK-UHFFFAOYSA-N 428.518 1.276 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540870854 YMYWAASKXMZNOV-HNNXBMFYSA-N 444.496 1.421 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CS(N)(=O)=O)c2)s1 1542576193 XMOJVBXJWYPZQD-UHFFFAOYSA-N 429.545 1.182 30 10 IDEE C=C(CO)C(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1542879821 FYAZORBCGGPOTB-UHFFFAOYSA-N 442.129 1.155 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 1544630229 FQIRGVWKTHQBDW-UHFFFAOYSA-N 443.500 1.861 30 10 IDEE CCSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1552622712 VMWLZIKSQSUOIF-LSDHHAIUSA-N 430.600 1.493 30 10 IDEE COCC1=CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555318880 LAOZRXLRSSSQDL-XUTLUUPISA-N 435.488 1.649 30 10 IDEE C#CCN(CC(=O)NCCNC(=O)c1ccc(Br)cn1)C(=O)OC(C)(C)C 1557469810 YAPMPUHMJMFINN-UHFFFAOYSA-N 439.310 1.560 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1 1558757833 URIQHQCUTDSIQO-NDEPHWFRSA-N 440.591 1.025 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1587580452 PXASILCCTYTWET-RHSMWYFYSA-N 429.546 1.721 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CC)C1 1587580456 PXOWNKWYWYJLPV-QZTJIDSGSA-N 444.605 1.995 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1587765657 IYBNBMNSTSYDQL-DYESRHJHSA-N 446.577 1.469 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1588030264 RWTMJOSTZKQDTM-IAGOWNOFSA-N 430.578 1.976 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588058884 DXLCADIUJFYAJP-INIZCTEOSA-N 436.607 1.896 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OC)c(OC)c1 1588074786 RRJMGRIYXJAOFD-UHFFFAOYSA-N 437.500 1.661 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1588871356 ADUXNMBWJLXCDR-OAQYLSRUSA-N 438.576 1.641 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1593691185 UCFVEOTWWRBAAH-SFHVURJKSA-N 432.569 1.848 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1594812728 JGJFNSNPYGYIMN-SJLPKXTDSA-N 431.541 1.949 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](CNC(C)=O)C1 1595556009 MCYORKDYJYUTTM-GOSISDBHSA-N 440.548 1.532 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1598091158 WOVUNSGJNBCINI-GOSISDBHSA-N 437.548 1.940 30 10 IDEE COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1602800266 XVFVCUSWCMZWML-BQHWHHKNSA-N 426.473 1.789 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1610091127 GHUFFWAIZPPMFE-CVEARBPZSA-N 449.556 1.849 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1613594228 DNGYYLLBZFELKR-YWZLYKJASA-N 432.550 1.894 30 10 IDEE CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1614967733 CTDHSIQBWRQDTM-MOPGFXCFSA-N 435.532 1.784 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1619614833 QTDHXOOBRAIVND-WMZOPIPTSA-N 427.484 1.842 30 10 IDEE COc1cc(NC(=O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc(OC)c1 1621468197 HGIOOHHXSCQBEZ-UHFFFAOYSA-N 435.433 1.509 30 10 IDEE COc1ccc(N2CC[C@@H](CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1630613712 DXOOOYQOBWAZAR-INIZCTEOSA-N 442.541 1.767 30 10 IDEE C#CCN(CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1)C(=O)OC(C)(C)C 1635099284 OVDUVBOXWJGQMI-MRXNPFEDSA-N 431.537 1.570 30 10 IDEE C#CCN(C(=O)NCCCN1CCC[C@H]1C(N)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1636926911 VEJRKGIUHJQERJ-SFHVURJKSA-N 435.569 1.371 30 10 IDEE Cc1cc(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)nn1CCC#N 1637615678 CDUFVVNMGONUML-UHFFFAOYSA-N 437.547 1.812 30 10 IDEE CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644636933 RMBNFLKMLTVVNL-JMERFSKESA-N 439.559 1.684 30 10 IDEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1647402536 DTWYTGNTDSZUPB-KRWDZBQOSA-N 436.534 1.716 30 10 IDEE COC(=O)c1ccc2c(c1)OCCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1649134389 CAJGYIHCEFMNPU-UHFFFAOYSA-N 429.454 1.044 30 10 IDEE COc1cc(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 1653913787 GCFDJNPAPSRIAL-AWEZNQCLSA-N 431.514 1.880 30 10 IDEE COC(=O)[C@@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 1654909309 HUELKMHTVHPPLH-IRXDYDNUSA-N 437.537 1.400 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)C1 1660786721 OFSLXVOTRUOYPV-QGZVFWFLSA-N 443.552 1.753 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)c1 1686929134 DZVCXSWMGCBUFG-GHTZIAJQSA-N 427.530 1.102 30 10 IDEE C#CCCCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1689941064 IVFWQFFLHQOQMB-HXUWFJFHSA-N 439.582 1.109 30 10 IDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1689959831 OKWOWSOGGVPPNE-RYRKJORJSA-N 439.520 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1690051154 OILAVPLJUJPBKH-UHFFFAOYSA-N 442.527 1.987 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1690170807 QYQQOJGXTRLPNA-CYBMUJFWSA-N 441.483 1.984 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690327909 ALMKJYSSULUPFR-CQSZACIVSA-N 447.005 1.724 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1690526712 CEYNEHAKOGFFLZ-ROUUACIJSA-N 440.614 1.498 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1696822575 JNLKSIHQHZNCRR-UHFFFAOYSA-N 441.536 1.574 30 10 IDEE CNC(=O)CCCN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1696984750 OLROETCHECSHBW-HNENSFHCSA-N 431.541 1.356 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1697083471 BMOACEFGTWJTJA-UHFFFAOYSA-N 440.504 1.922 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1705496111 ZWWXXXOPDBUZBC-JKSUJKDBSA-N 437.591 1.682 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCO[C@H]2C)c1 1705504824 FBXRWVBIAQCPPH-XDHUDOTRSA-N 446.511 1.936 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOc1ncccc1F 1705550869 ZTFPCTGSLZBJMO-UHFFFAOYSA-N 443.508 1.921 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705566550 PBWPUAUBAVETHY-IAGOWNOFSA-N 431.566 1.092 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1CCOCC1 1705578152 IKGJCBNOARUIGL-UHFFFAOYSA-N 435.528 1.900 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)CC(F)(F)F)CC1 1705648445 SWFPWTVZBPUCSZ-MRXNPFEDSA-N 442.486 1.242 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705665758 CRPYWBIQJDXMNZ-QUCCMNQESA-N 448.637 1.560 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2(=O)=O)CC1 1705763525 XGAIFFVULDJZGA-LSDHHAIUSA-N 431.584 1.012 30 10 IDEE C=CC1CCN(c2nnc(COCC)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1705785576 NXXXAYZSJUCUPG-UHFFFAOYSA-N 426.521 1.480 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705930227 IVZRKKJRSPLFDP-GOSISDBHSA-N 425.599 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccco2)C1 1705934316 IMCIYVSJWLSRQR-GDBMZVCRSA-N 435.506 1.001 30 10 IDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1707908895 BJFGTXHNYGAJOK-UHFFFAOYSA-N 432.488 1.092 30 10 IDEE CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1708694146 HNIVHZYBCXKXCU-ZCNNSNEGSA-N 432.569 1.648 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1710306562 FTJWSBNXRVGDDV-UHFFFAOYSA-N 426.525 1.813 30 10 IDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1711088435 YBVFFHWCHUODME-UHFFFAOYSA-N 433.472 1.762 30 10 IDEE CNC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1711399084 WDNODDXPPDAZRH-UHFFFAOYSA-N 446.515 1.683 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1CC(=O)N1CCOCC1 1712453129 BUVRNQZYVDWMDJ-UHFFFAOYSA-N 432.912 1.824 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(N)=O)nc1 1712453300 IKTZVVBQTDFBTP-UHFFFAOYSA-N 440.895 1.902 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722361505 NTNMIHGQABKVLN-INIZCTEOSA-N 439.488 1.639 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722425115 NCTVOYASAUKZCF-UHFFFAOYSA-N 445.524 1.058 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC(C)CC2)CC1 1722440350 DKZMLMJBEMCJBQ-SFTDATJTSA-N 430.597 1.489 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1722501098 LPRGJVWDFPTESA-GJZGRUSLSA-N 433.600 1.258 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722522417 OMBGZWMJDXISOG-QGZVFWFLSA-N 448.524 1.455 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCc2ccccc21 1722726636 HKOQZYJNYFIVBB-QZTJIDSGSA-N 429.546 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](COC)C1 1722727529 JDKWSCPAVKNLGX-LPHOPBHVSA-N 448.545 1.864 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722743275 VVBHRHVIJJPDAD-AWEZNQCLSA-N 434.591 1.856 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)CC1 1722784238 LVZVIUNTRZKEIA-HXUWFJFHSA-N 438.532 1.928 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1729698755 HBMCROODOQUFNY-GOSISDBHSA-N 444.561 1.746 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740551026 FNMCLPPSBAJPLH-QAETUUGQSA-N 428.516 1.033 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1740739294 QTMGRDYEVKFNFU-RYUDHWBXSA-N 436.376 1.658 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)CC1 1740750050 KURLWDKHQSIPIS-HOTGVXAUSA-N 444.374 1.679 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)C2CC2)CC1 1740825508 PCSRRVHUJOEDNP-FUHWJXTLSA-N 438.598 1.250 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1740932393 MQUKNXJASFCMOD-HNNXBMFYSA-N 431.509 1.835 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740951484 GYHPPXBFEWXVIL-GOEBONIOSA-N 444.467 1.500 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1742668814 FFJCBJXXERUDLT-QFIPXVFZSA-N 426.569 1.878 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748656028 JZOYAPPSQNKPED-HZPDHXFCSA-N 447.561 1.702 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1748674790 XZKZGGBBLKVWGL-DOTOQJQBSA-N 429.525 1.826 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2COCCO2)c1 1748692763 NNZHNZSQGSCLKX-LJQANCHMSA-N 435.488 1.150 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1749114514 AIGCMLGRKZQQQO-BBWFWOEESA-N 445.545 1.848 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749450983 ZPEPWWIHPMRNDX-OAQYLSRUSA-N 425.493 1.235 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749459581 NPBWOMCPBMNZTG-SFHVURJKSA-N 439.520 1.329 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1749591725 XXEGWIIOKPHIIK-SFHVURJKSA-N 435.550 1.849 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749663412 DEGZBANJDNYVDL-SFHVURJKSA-N 438.536 1.225 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749677665 HEYQVHBBIUSYLE-SFHVURJKSA-N 442.568 1.185 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(C)(=O)=O 1750475053 WHOMWMRTRXLMPD-UHFFFAOYSA-N 431.566 1.505 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1750504767 LCTCBRNKXFJRBN-MRXNPFEDSA-N 447.540 1.434 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)C1 1751282627 PEIRSNBUUAUJTM-FDDCHVKYSA-N 438.532 1.962 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1760181790 BQHKRTSAMIVCEK-AEFFLSMTSA-N 430.578 1.928 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)nc1 1760237749 UEKKHCASZDFRAI-UHFFFAOYSA-N 434.548 1.879 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2cccc(C)c2)CC1 1760262097 ZOEGSWBOJHJLQL-FQEVSTJZSA-N 436.560 1.932 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1760279939 BUAGPPJJJZOZAP-KRWDZBQOSA-N 449.606 1.055 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nncn2C)C1 1760536720 JKNUCYGSXRZHKO-CYBMUJFWSA-N 433.314 1.994 30 10 IDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1761188271 JUKQXPCYSJMYQM-UHFFFAOYSA-N 431.566 1.286 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1763033991 ALIYSFALDRGROE-WBVHZDCISA-N 442.545 1.308 30 10 IDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CCCO1 1763197043 BRIQVHJWFPXUFY-FXAWDEMLSA-N 437.548 1.629 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1767663300 NYOAFKUMDCCRLC-JIQGDJCJSA-N 441.536 1.425 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1Cc1ccc(C#N)o1 1771221006 LMKCFNQFAXXDRZ-VBKZILBWSA-N 430.465 1.546 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)N(C)C)C[C@H]21 1771309540 ZBJWJNCZPWGSFB-IPMKNSEASA-N 444.561 1.427 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1772567340 RINDEWHVXKUEIG-NOVUIFNWSA-N 431.562 1.848 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1848518639 OYEJKZGCMDMWDH-UHFFFAOYSA-N 427.530 1.427 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CC(=O)Nc3ccc(F)cc3F)CC2)nc1 1853040910 WKQNWBXNEWJAQG-UHFFFAOYSA-N 429.427 1.925 30 10 IDEE N#Cc1cc2c(cc1CC(=O)O[C@@H]1C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C1)OCO2 1853241632 ZMNCUVCNRUTJLX-MOPGFXCFSA-N 447.447 1.385 30 10 IDEE CC(C)Oc1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 1853471479 KUOCVCSCBNIWLE-LJQANCHMSA-N 432.521 1.351 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)CCC)c3ccccc32)CC1=O 1857421411 KMBYBIKHXLLPIW-HZPDHXFCSA-N 433.530 1.919 30 10 IDEE CCC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868795676 MVBHKALCVOIGOT-MSOLQXFVSA-N 433.578 1.643 30 10 IDEE C=CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562074 LTXLUVRKACLTOL-UHFFFAOYSA-N 446.555 1.930 30 10 IDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccnc1 1874338544 UHMJHTQSUMDIOD-IMQYADFFSA-N 429.550 1.898 30 10 IDEE COC(=O)[C@@H](CCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2224124822 OURSTMOOSFJPIW-OAHLLOKOSA-N 435.330 1.671 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255628220 FKOBZGWYAKYWOT-ZFWWWQNUSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826697 CJYOPWFRFIOQSJ-YUELXQCFSA-N 432.330 1.837 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256628089 DVENYDFGJSHKAB-PBHICJAKSA-N 434.342 1.876 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)n1 2267112249 DDVKRBKSZKCMDC-ZDUSSCGKSA-N 449.361 1.490 30 10 IDEE CCN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267113819 ZIHNDFFNVYBRON-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267267585 XXLFHTIHICDAQA-FVQBIDKESA-N 444.341 1.904 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267496942 GPOLGNSOROVGRS-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2267509761 AHVIVDUQXKBZFX-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCC2CN(C(=O)OC(C)(C)C)C2)n1 2267535917 DMALDYUHGSBSRC-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2267875630 HSNQBTCHVKKURB-MSOLQXFVSA-N 439.321 1.880 30 10 IDEE Cc1cc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2268649457 CQVGPVWILPSMOA-UHFFFAOYSA-N 447.341 1.874 30 10 IDEE CCOC[C@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312053 QJHASNGOMIIERZ-SNVBAGLBSA-N 425.765 1.376 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(F)c(C#N)c1)NC(=O)OCc1ccccc1 2286032736 JXNZQHKYANQLDJ-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2312856049 KOAOWJZUEMWUBB-QCODTGAPSA-N 440.346 1.316 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2334262403 NRLOTPINSVBUEU-WCVJEAGWSA-N 449.357 1.805 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 2337192589 NJPOBAGDUPIPEP-GJZGRUSLSA-N 446.357 1.943 30 10 IDEE NCC#Cc1csc2c1CN(S(=O)(=O)CCCN1C(=O)c3ccccc3C1=O)CC2 2361587920 GGYBYFVXPNJUFW-UHFFFAOYSA-N 443.550 1.433 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3cc(OC)ccc3O)n2N)c1 20527471 DNNIPSWODZPUAB-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE O=C(/C(=C(\S)NCCN1CCOCC1)[n+]1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 22694323 DUFXYZOOEZYYPG-UHFFFAOYSA-O 431.494 1.449 30 10 IDEE Cc1oc(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1C(=O)N1CCOCC1 96397176 IBJVMAONGUMPFY-UHFFFAOYSA-N 444.513 1.895 30 10 IDEE CC(=N/N=c1\[nH]c2c(c(=O)n(C)c(=O)n2C)n1C/C=C(\C)Cl)c1ccc([N+](=O)[O-])cc1 254464082 XTGAXYHCCSTMOW-JUKORQEQSA-N 445.867 1.743 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447784517 DCEAXBTZJXAQOS-UHFFFAOYSA-N 433.537 1.677 30 10 IDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)cc1 473094232 GENYGINVYQFEOU-UHFFFAOYSA-N 433.489 1.989 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482192221 KAAXCGCYJMCCET-HNNXBMFYSA-N 446.504 1.722 30 10 IDEE CNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 502456567 PALOVDWZUHDPGL-KRWDZBQOSA-N 430.511 1.620 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1noc(-c2cccc(F)c2)n1 505883421 AVSZNZAMUSIJLP-GFCCVEGCSA-N 429.433 1.731 30 10 IDEE Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512205980 YFLVJSBVLPIYOZ-QGZVFWFLSA-N 428.518 1.385 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)cc1 523078261 DYNDDWUERDDJSQ-UHFFFAOYSA-N 430.486 1.523 30 10 IDEE COC(=O)c1sccc1N1C(=O)C[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 536466344 GBJAYIBNPVCUEA-HNNXBMFYSA-N 425.470 1.255 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543658002 SIWOIIGKLTVUEQ-UHFFFAOYSA-N 428.514 1.956 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cccn2)C1 555253390 BTKJVZWUDHRFPF-INIZCTEOSA-N 427.534 1.948 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 564379666 PGCJKGCRCWHIGQ-LJQANCHMSA-N 427.505 1.800 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 566021653 DPEIOCXWVXEMLL-FQEVSTJZSA-N 427.505 1.645 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1 573045859 FUCHOYUTZGVBPN-UHFFFAOYSA-N 425.532 1.219 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)c(F)c1 573581630 LTMQNZZMHJERSJ-PXNSSMCTSA-N 442.495 1.882 30 10 IDEE CCOC(=O)c1cnc(N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)s1 610370941 MJQWKVCABPVKHI-QGZVFWFLSA-N 430.530 1.948 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615486693 IAGAAVRYHNKMIR-NRFANRHFSA-N 442.541 1.958 30 10 IDEE CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 619840628 ZBMBDSPMMQGUOQ-APWZRJJASA-N 440.570 1.168 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC(F)F)cc1 727416426 PBDCPVSTWJHNGN-UHFFFAOYSA-N 443.431 1.875 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCc3ccc(C#N)cc3F)ncnc1-2 729879843 PKHIIFWCRBYYGT-UHFFFAOYSA-N 447.272 1.421 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@H]1CCCO1 732561116 HQUPVSYLHVHRRE-QGZVFWFLSA-N 428.558 1.814 30 10 IDEE C[C@@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732666609 ZSOFOJKJRWIZDL-AVRDEDQJSA-N 438.488 1.040 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 737305722 ISGMUKCNRKEFKJ-ISLYRVAYSA-N 439.497 1.756 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 743336417 GMNLDZCLOBKUJY-HXUWFJFHSA-N 442.560 1.406 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1ccc(Cl)nc1 746449759 AKWNYWIEGCOCBD-UHFFFAOYSA-N 447.948 1.572 30 10 IDEE C#CCCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 748671576 DNPIBIWYBJLDPM-UHFFFAOYSA-N 425.576 1.237 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnc(O)n(C)c2=O)cc1 751565283 HEQWAMPBBGOXJM-CJLVFECKSA-N 433.490 1.331 30 10 IDEE C#CC[C@H](O)CNC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757485866 NRBJYCUQAWYKDC-YCRPNKLZSA-N 436.464 1.869 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)c2C)cn1 758076040 LHVMMFASOHFDJC-KRWDZBQOSA-N 446.581 1.145 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1C[C@@H]1CCCO1 760378690 STNJTYHPZRNNIU-ZDUSSCGKSA-N 430.555 1.062 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCc2nnnn2C)C1=O 771543216 YOOHAXGLICXAHG-LBPRGKRZSA-N 425.877 1.313 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 780281299 SPVGJQMXCKRFAB-OAQYLSRUSA-N 447.495 1.645 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 784126751 FNRZQMHTFGTCSF-QGZVFWFLSA-N 436.965 1.989 30 10 IDEE C[C@]1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCN(C(=O)OCc2ccccc2)C1 794221074 DRXOALNGOWNERS-PANRORFQSA-N 426.473 1.820 30 10 IDEE CCOC(=O)C1(COC)CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 794705702 XFGGMJBLLANQEM-UHFFFAOYSA-N 428.489 1.572 30 10 IDEE COC(=O)[C@H](Cc1ccc(C)cc1)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 795556361 LVVGMZWPLWZGJJ-KXBFYZLASA-N 430.482 1.861 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC2(CC#N)CC2)c1 797767553 CDFNDJHAJFYRCE-UHFFFAOYSA-N 430.324 1.797 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCc4cncn4C3)nnc12 804332664 OSBDNPADZYPYOD-CQSZACIVSA-N 435.513 1.650 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 806217936 NSEIZRSXWVXVEX-VPMFXMNOSA-N 434.518 1.711 30 10 IDEE CCOC(=O)c1c(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)noc1C 811137212 SBXUXWLXGXBWEU-NSHDSACASA-N 435.458 1.720 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)CC1 917383079 VRYBZJFUOZMYHE-UHFFFAOYSA-N 447.538 1.417 30 10 IDEE COc1ccc(NN=C2C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 1084226675 VWUIENUICCMRAL-UHFFFAOYSA-N 443.401 1.770 30 10 IDEE C[C@@]12CN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@]1(C)CS(=O)(=O)C2 1133200548 BFVJOQDZNRCFEY-CALCHBBNSA-N 427.320 1.983 30 10 IDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1137335994 KYZIWYJQNKZQJO-ROUUACIJSA-N 435.569 1.729 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 1138085217 WPDSZLMQJISTFU-VQTJNVASSA-N 443.544 1.879 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 1148268044 QFVCKOARMWGOML-UHFFFAOYSA-N 442.564 1.365 30 10 IDEE C=CC1(CC(=O)NCC2CCN(S(=O)(=O)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1153920388 PZCUTYOBDCDSEB-UHFFFAOYSA-N 429.583 1.978 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)C1 1157893484 JJUZSGNZZARNEM-QLLJYAEKSA-N 448.545 1.170 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1158345749 SVIBPOIQLUJONS-MSOLQXFVSA-N 430.482 1.967 30 10 IDEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1 1159641720 PXTOTCNIFFHYOP-KDOFPFPSSA-N 429.498 1.937 30 10 IDEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CC(O)(CC#N)C3)C2=O)cc1 1169629221 OLJTXIYYGVTUMF-BOPFTXTBSA-N 444.513 1.198 30 10 IDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1176832938 NHOZVIBQLSOMHM-HNNXBMFYSA-N 427.929 1.800 30 10 IDEE C[C@]1(c2cccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c2)NC(=O)NC1=O 1184272105 AWXKZUOSBHYDCI-JOCHJYFZSA-N 436.424 1.259 30 10 IDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1197042483 YBFDOLVNLBYLFJ-UHFFFAOYSA-N 442.495 1.351 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n(-c2ccccc2)c1C 1198083934 FBANBFHKUKOZKK-JTSKRJEESA-N 437.525 1.775 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)C2)c(=O)nc1O 1234103636 RGQBIVREACHBNC-XMSQKQJNSA-N 441.463 1.300 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1286388226 MEXOXMMWSSKURN-INIZCTEOSA-N 446.529 1.114 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCCC[C@H]2C)CC1 1286478596 DRZOUQIRRRUPJA-WOJBJXKFSA-N 427.597 1.639 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1286715824 VLCTXNGYDCLSRD-UHFFFAOYSA-N 442.911 1.695 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nccs2)C1 1286787332 RTQNDSJREKAQLO-INIZCTEOSA-N 425.518 1.985 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2oc(CC)nc2C)C1 1286809545 JNWOZVSCLHKDTB-JKSUJKDBSA-N 435.550 1.869 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC2CCOCC2)CC1 1286816252 DJOCFTTVZKICCJ-SFHVURJKSA-N 439.626 1.941 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1286823528 NVVOIYININQKBO-ARFHVFGLSA-N 429.612 1.670 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1287070050 PHGUNNKKVJJNFB-QGZVFWFLSA-N 427.509 1.907 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1293762682 QXCRYYCRYZLPNT-VZCXRCSSSA-N 443.552 1.813 30 10 IDEE Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)COc2cccc(Br)c2C#N)cn1 1296322462 CLCYCIBGYHIMJZ-WZQKQDCOSA-N 437.319 1.765 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN(C(C)=O)C1 1300323290 YGJGIEKBDOQXPH-WBVHZDCISA-N 428.562 1.986 30 10 IDEE COCc1nnc2n1CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1300378806 WDQKKNKJZFHMDJ-UHFFFAOYSA-N 446.533 1.066 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C 1300395706 BWLUUMXMHFJGCV-RRCSTGOVSA-N 442.434 1.776 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1300407573 BBFAERUUYVEKFV-HKUYNNGSSA-N 441.580 1.212 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300479962 WCJLKBDIJZPRRZ-ULQDDVLXSA-N 445.486 1.725 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1300484017 NYFOVJOLTBBCBB-RDTXWAMCSA-N 430.530 1.594 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300499153 QDNPFGLARVRJDE-IHPCNDPISA-N 445.589 1.952 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300502735 WHXGLZIDLZWJJJ-PKOBYXMFSA-N 449.621 1.942 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)nn1C 1300674709 DCTIHJLLAFJYGZ-UHFFFAOYSA-N 427.534 1.446 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1301447822 BMNGSJUFZKFNLT-IVZQSRNASA-N 439.520 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CC(N)=O 1301577930 VACZYEGIXQHLHR-OAHLLOKOSA-N 442.545 1.794 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 1302257771 UWDWWRTTZHKUFD-SFHVURJKSA-N 429.498 1.768 30 10 IDEE C[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1304970254 IULGCWLWYGIOKT-RKVPGOIHSA-N 448.549 1.749 30 10 IDEE N#Cc1cn(CC(=O)N(CCC(N)=O)Cc2ccccc2)nc1I 1307363102 IIFQIZJKPNEHMI-UHFFFAOYSA-N 437.241 1.264 30 10 IDEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccc2O1 1309775612 GDVHCHDLGJRURJ-NRFANRHFSA-N 441.509 1.936 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1314761242 JRVXCVJZEFVUSI-HNENSFHCSA-N 426.525 1.763 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2)NC(=O)NC1=O 1324060299 NASQDWABTLDHNO-VGSWGCGISA-N 434.456 1.371 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1358929765 HIEVHWOILRWGKR-QGZVFWFLSA-N 432.550 1.212 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1358948347 AAECNRAQULXDKL-WOJBJXKFSA-N 443.573 1.323 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)OC(C)(C)C 1358968740 WWFIDDPUSMEWHI-UHFFFAOYSA-N 437.504 1.913 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359060294 QMGKERMGTCCVRF-UHFFFAOYSA-N 448.593 1.682 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359062651 OQJVTFLOTSUDCT-FUHWJXTLSA-N 438.561 1.873 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359126094 FTEJPKGWUKVALU-NPPFBWRTSA-N 433.553 1.880 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1359129373 ZYHZSLUVASRRDV-UHFFFAOYSA-N 437.548 1.668 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCCC1 1359240222 JFUSQROCMFNONX-QGZVFWFLSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc2CC1 1359291464 QQZHRJSQQOSIEG-UHFFFAOYSA-N 431.500 1.833 30 10 IDEE C#CC1(F)CN(C(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)C1 1455275541 QQKWBYJVPSZDKO-UHFFFAOYSA-N 449.273 1.406 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1455942836 IMJPGNMGEDQHCR-QGZVFWFLSA-N 427.567 1.440 30 10 IDEE C[C@@]1(C#N)CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCO1 1456478383 GSKROSJTPNSJJS-XUZZJYLKSA-N 432.480 1.641 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(Cc2ccccc2F)no1 1462729487 FSVRUPDHLZANJA-UHFFFAOYSA-N 429.433 1.154 30 10 IDEE CN(C)CC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1 1462931577 OBUZKIJRKZKUJN-VQTJNVASSA-N 434.500 1.967 30 10 IDEE N#CC[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1464059998 DIAKXTMDISDTIM-GFCCVEGCSA-N 425.454 1.842 30 10 IDEE CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1466254762 MMLDJQODVMNFTF-UZLBHIALSA-N 438.532 1.673 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)ccc21 1466931528 XPKZYPXAWFLWRS-KRWDZBQOSA-N 439.447 1.533 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC3CCN(S(=O)(=O)C(F)(F)F)CC3)CC2)cn1 1469280785 DDXIDMGRUNRDAI-UHFFFAOYSA-N 446.455 1.099 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)s1 1469484366 MCJSXQLKZGGNFT-CRAIPNDOSA-N 428.576 1.581 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1471936084 SWRCBXDOHPBVBZ-OAHLLOKOSA-N 440.518 1.539 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1N1CCOCC1 1499681838 UPIRXVAEPJDNEN-QUCCMNQESA-N 437.548 1.452 30 10 IDEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1500108646 IEKIDQKDXQXMEE-GOSISDBHSA-N 432.550 1.713 30 10 IDEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)F 1503668011 YSOJPUAGOQLLRA-UHFFFAOYSA-N 442.430 1.200 30 10 IDEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N2CC[C@@](F)(C#N)C2)n1 1503687538 ORMKMRNQVJMLFJ-MRXNPFEDSA-N 432.261 1.721 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(C)=O 1507521520 OCXFAUCXNPWNRK-HNNXBMFYSA-N 432.550 1.180 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507724096 GOFJLRVKFQXUOC-GOSISDBHSA-N 445.564 1.588 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507844633 MLMUPCKFIHWOAJ-SFHVURJKSA-N 447.561 1.508 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCC2)CC1 1507901678 DQRUTOGVVXODKK-QGZVFWFLSA-N 439.582 1.319 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1508087846 FCANRGDPBOJQBE-ZWKOTPCHSA-N 428.541 1.524 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1508090665 OYBJFTXICOGTIH-YLJYHZDGSA-N 443.596 1.227 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(C)C)N2CCOCC2)C1 1508115591 BRGGTJDNEUQZFP-VQTJNVASSA-N 429.569 1.817 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1512577764 HPGJGLMSNFLREB-WAIKUNEKSA-N 438.532 1.839 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1517299697 COKGKSNBVYZFHX-LJQANCHMSA-N 435.532 1.838 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1518637799 FJFNCJPETPFKDY-CTNGQTDRSA-N 438.532 1.973 30 10 IDEE COCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519402439 QWBMMEMICUMKPR-UHFFFAOYSA-N 448.531 1.905 30 10 IDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1519467690 RJTLSIQMBXAKHE-LJQANCHMSA-N 441.536 1.669 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1539104915 SZSRQACFDHBGBG-UHFFFAOYSA-N 433.520 1.781 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1539325865 OWYONHKRFXOFFZ-MRXNPFEDSA-N 447.948 1.771 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1539326012 QNDIPXYEEQPLSG-IBGZPJMESA-N 447.605 1.900 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1539369384 KTDOSRVGKUBRKA-GOSISDBHSA-N 439.545 1.577 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1539401075 RMJDDLGRGXEONQ-UHFFFAOYSA-N 444.355 1.177 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1539414234 SIMQVTMGYJEDPX-KRWDZBQOSA-N 449.515 1.595 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539447743 VQWKDLIVGYLOSM-LJQANCHMSA-N 428.581 1.576 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1539651811 KYJIGORAFRMWDO-QHCPKHFHSA-N 448.612 1.885 30 10 IDEE C=CCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861223 ICNDBNPUEQWDRG-GASCZTMLSA-N 440.570 1.316 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1540871959 YNFSMSDYULDFQH-QGZVFWFLSA-N 438.532 1.108 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1542232414 YLWHHJQDNGDQMN-YVMONPNESA-N 442.472 1.817 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](CO)[C@H](C(F)(F)F)C3)CC2)cc1 1543856988 UKNZPBFSMCNDPP-DOTOQJQBSA-N 445.463 1.588 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)Cn2ccnc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367781 NGTGFTQJOOVLST-KRWDZBQOSA-N 434.422 1.545 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1552712406 BGGYMKRBUAOSNA-DLBZAZTESA-N 440.460 1.321 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)C[C@H]1O 1554545715 RXAGZVITOWNVGQ-CGTJXYLNSA-N 427.530 1.930 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1O 1554939637 BFVAGENOKLGOOQ-INIZCTEOSA-N 431.518 1.683 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC[C@@H](F)C2)C1 1555812565 GQRVMAUKRYSPNL-BBWFWOEESA-N 440.545 1.489 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1=O 1559440067 BEDMQMVEMBKNME-UHFFFAOYSA-N 440.843 1.958 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3CCC4(C3)OCCO4)C2)C1 1585224433 JQJOPSYXZPYAEU-BATSVXPKSA-N 434.537 1.338 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588065140 VEAPKVQIRYOKJK-ICSRJNTNSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(CC(C)C)CCO1 1588170557 IQEPBFSFZBKQKN-ACRUOGEOSA-N 429.565 1.432 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594608359 KJAOJDTUVFEVRV-KRWDZBQOSA-N 426.525 1.802 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)[C@@H]1CC 1595475832 GQNIFYMOPMJEEI-HOCLYGCPSA-N 430.484 1.574 30 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COCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCOCC1 1619654800 NEQLGMIMMWYTCD-AVRDEDQJSA-N 449.552 1.491 30 10 IDEE CCNC(=O)CN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1629103811 UTGCDGKYDDEDFX-OTQYULQBSA-N 447.580 1.444 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1629977332 IFAYOURQGHCOOP-SJORKVTESA-N 431.961 1.972 30 10 IDEE C#C[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1631298523 KEWFNAKQJNSEAY-DZGCQCFKSA-N 445.463 1.490 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)CC2)C1 1636304115 HDSMTEZVGUYDII-UHFFFAOYSA-N 427.482 1.782 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)OCc3ccccc3)CCC2)cc1 1638749673 XFGSAGJEXFSCNE-UHFFFAOYSA-N 426.494 1.994 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cncc(C#N)c3)CC2)cc1 1645989926 NDWBUUNVUSWIKB-UHFFFAOYSA-N 426.498 1.873 30 10 IDEE CCc1noc([C@@H]2CC[C@H](NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1646202449 UARRWBZCPPWUCJ-MCIONIFRSA-N 431.518 1.902 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1Br 1663328523 CKAACTWTQUXDHV-CHWSQXEVSA-N 437.312 1.800 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C1CCOCC1 1670502155 GRWPZUNWMHLYJB-IBGZPJMESA-N 440.587 1.876 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1676030965 MXAWZHDVAGWGHE-RBUKOAKNSA-N 447.580 1.337 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CN2CCCCCC2)CC1 1678659530 YVGGNFSJCGEXBK-UHFFFAOYSA-N 447.605 1.357 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)C1 1684082841 JHYQQMPSGHCVMK-VQTJNVASSA-N 432.952 1.979 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1689850604 FERVZFGDNILCAA-ZBFHGGJFSA-N 448.545 1.712 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1689853834 ZESQDUUMJBGWNS-IEBWSBKVSA-N 446.577 1.205 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1690006670 WLTWAVSLQWYSNK-UHFFFAOYSA-N 427.530 1.305 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690236338 LKQXYYXXZSDMEO-WDSOQIARSA-N 443.552 1.709 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690451536 JERVLERQKXYVHN-KBXCAEBGSA-N 426.543 1.276 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690471026 RUVLTKAFYOHSPE-CYBMUJFWSA-N 431.522 1.389 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690719058 GVBGLSCZSZTQQO-FQEVSTJZSA-N 449.964 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690722278 CWJQDANZPYYXRT-QGZVFWFLSA-N 434.566 1.033 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(C)(=O)=O)CCOC1 1692579033 FUENKUJHOZMKFF-OALUTQOASA-N 425.555 1.493 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1696999712 HTMJGEYUEGDYNX-UHFFFAOYSA-N 438.536 1.583 30 10 IDEE C#CCCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705533695 QNKJDLPODYHJBR-UHFFFAOYSA-N 431.566 1.512 30 10 IDEE 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C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1743349156 DHWCICDIBGIVKP-UYAOXDASSA-N 440.548 1.801 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1745165775 GVNGLOUPKWMXCK-QFIPXVFZSA-N 426.521 1.663 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1747771502 SILNYZOQJSKECX-JOCHJYFZSA-N 437.504 1.904 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1conc1COC 1748795153 ZFHBEAYUSZGFBW-UHFFFAOYSA-N 449.559 1.895 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748819491 PFVZZGOVVQSXGD-RTBURBONSA-N 429.546 1.316 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1748863848 JBJIGEDBDRZWSI-IAGOWNOFSA-N 429.546 1.453 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(CC)CC1 1748900318 DMRHRWBEOOHCME-JOCHJYFZSA-N 436.608 1.629 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C)n(C)c1=O 1748965489 SFCDCAXGLZHLDN-UHFFFAOYSA-N 445.527 1.658 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 1748999797 GBZCEHWSIMFZNF-HMFYCAOWSA-N 433.622 1.820 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1749119023 MKRICOAPBJYZOU-HZMVEIRTSA-N 441.598 1.873 30 10 IDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749232056 BOOPBZQTZSHSGW-KRWDZBQOSA-N 444.561 1.996 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749364297 PCHUZASDEFWROU-WMZOPIPTSA-N 443.596 1.621 30 10 IDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1749457881 SHFVQMGQTUQAFU-OALUTQOASA-N 443.504 1.335 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749657707 BJGBXCHZNMGOJB-CABCVRRESA-N 430.534 1.377 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749755571 JPXKIHLDAWKZBV-ZWKOTPCHSA-N 435.594 1.919 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(C#N)o1 1749970512 UKSJTUKEHNRFCP-FOIQADDNSA-N 449.533 1.530 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1750206700 NIJPGMUOFBQBLN-UHFFFAOYSA-N 445.545 1.637 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1750383821 DOBOOYOLQHOFRL-MRCUWXFGSA-N 433.472 1.855 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCOCCCO 1750966431 NQFAIFVNPHWLGQ-UHFFFAOYSA-N 441.536 1.014 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(Cl)nc1 1750966704 KOOKZYQKPWUSJX-INIZCTEOSA-N 428.928 1.690 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCOCC1 1760250024 ALYYVLQKKLPQRC-IBGZPJMESA-N 437.548 1.323 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(OC)c2)CC1 1760260145 MHRPGIYXFCOTMZ-HXUWFJFHSA-N 436.560 1.971 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@@H]2CO)CC1 1760382787 YFPCARFMNCMUAJ-QZTJIDSGSA-N 440.614 1.282 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1760541498 CTJSPHHWYXKJMA-RCCFBDPRSA-N 441.523 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760551059 RYBJEGZCUPMQGB-QGZVFWFLSA-N 448.545 1.944 30 10 IDEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1762319412 FOYVPNJEKBDBAE-KRWDZBQOSA-N 426.525 1.435 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@]2(CCCOC2)O1 1763081176 BXYHCVVIQKPJGT-JPYJTQIMSA-N 441.532 1.990 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1767673367 GPMARFABPMXMBU-INIZCTEOSA-N 448.474 1.973 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)C1 1770343835 PJYHEEXRPKCGPD-QZTJIDSGSA-N 436.582 1.584 30 10 IDEE COCCN1C[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CC1=O 1771125696 BJXCJMITTOPMAH-HUUCEWRRSA-N 443.508 1.097 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1772566477 QSDNIDKNCAZODI-CQSZACIVSA-N 432.550 1.693 30 10 IDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1 1856267582 XKNISHJLRGMVJP-CVEARBPZSA-N 431.514 1.269 30 10 IDEE COc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc(OC)c1OC 1858334891 LIPWOYFTYMZOFP-INIZCTEOSA-N 445.497 1.777 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1C[C@H](C)O 1870549231 FZLKENBHDHAGSX-AZUAARDMSA-N 433.549 1.419 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCCOC)ncnc21 1875228428 NYZWLAAXNZLWSH-UHFFFAOYSA-N 430.509 1.980 30 10 IDEE C#CCN(CC(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1)C(=O)OC(C)(C)C 2060408631 SWHHQQWKFLHIET-UHFFFAOYSA-N 447.454 1.231 30 10 IDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)nn1 2060623791 QUOUZANWKVFPAZ-HNNXBMFYSA-N 435.334 1.932 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2248419636 DULDNZYAWINLAE-QWRGUYRKSA-N 438.359 1.747 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248588980 KNRPHVFBFRQUIZ-CQSZACIVSA-N 432.307 1.842 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255626680 IZLMBXGFWAPSPY-LRTDBIEQSA-N 432.330 1.838 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255811621 SEFKEFDTJSKGNC-MNOVXSKESA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256623198 POXYHRSEHLKNIK-HUUCEWRRSA-N 433.314 1.859 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2256669164 LNNJEUKEVKGSFQ-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE Cc1ccnc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267510928 UEJWLBAUMUXTKB-QFIPXVFZSA-N 449.357 1.695 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)n1 2267521009 NRYKZAKBUUSYML-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 2267539004 IKEOINRYRBKMLI-ZDUSSCGKSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268651345 ALJKQFZAEYNFAF-GOSISDBHSA-N 446.353 1.756 30 10 IDEE CC1(C)OB(c2sncc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2315693911 RLRDJFZXOHJYLX-QWRGUYRKSA-N 445.272 1.820 30 10 IDEE COc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1 2330747751 ZWYDRCMZZXJHKM-UHFFFAOYSA-N 445.530 1.992 30 10 IDEE C[C@@H](C#CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)NC(=O)OC(C)(C)C 2341219725 PDGMDTYDYUUJKC-JTQLQIEISA-N 446.323 1.952 30 10 IDEE Brc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 252591328 AZQIFXJBGHTJGK-UHFFFAOYSA-N 448.325 1.753 30 10 IDEE COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)c(OC)c2)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 252634844 WRTHZMHZNDOZGW-JYLXEMOASA-N 425.441 1.051 30 10 IDEE CC(C)c1ccc(N2C(=NC(=O)COCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254520767 AMSOHEQSMXODTP-GJZGRUSLSA-N 426.516 1.513 30 10 IDEE CS(=O)(=O)CC[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 428868068 OMTNNXDQBGFCHR-MSOLQXFVSA-N 438.619 1.746 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1=O 431232259 BWYIILBXTHMESF-UHFFFAOYSA-N 425.195 1.581 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCO[C@@]3(CCOC3)C1)CCCC2 469527261 MLAOCNKKYBSAPH-HXOBKFHXSA-N 428.533 1.847 30 10 IDEE COCCN1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O 470720059 OOLAYEHLUIAIIC-UHFFFAOYSA-N 440.460 1.693 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCn3c(O)nnc3C1)CCCC2 475106501 IJQPLNKOKZKJNB-AWEZNQCLSA-N 425.493 1.169 30 10 IDEE O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476801585 DMOGHTYUMZKMLE-QFIPXVFZSA-N 431.492 1.921 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 478750140 XUBIWLZLJPVMAV-OAHLLOKOSA-N 425.510 1.307 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H](C4CC4)C3)nnc12 485507121 QKHZSQVJOBOLQE-KRWDZBQOSA-N 425.514 1.960 30 10 IDEE Cc1cc(C)nc(-n2nc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C)n1 486010718 ZRACIUVVOMCPJV-LJQANCHMSA-N 429.484 1.990 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508940631 YYVMVYIJOHIQEJ-QGZVFWFLSA-N 449.519 1.865 30 10 IDEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)n1 516484445 VAFJGDXRJAGYIZ-UHFFFAOYSA-N 448.892 1.152 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cc1C#N 525173411 XFARCODJWSUIKR-GOSISDBHSA-N 449.532 1.841 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1C[C@@H]1CCCO1 532629944 TYAKIYOGQRCMDV-IBGZPJMESA-N 446.532 1.400 30 10 IDEE Cc1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1S(=O)(=O)NCC#N 534929616 CLRLAQDRYHGXEH-UHFFFAOYSA-N 425.264 1.500 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CC1 543652935 OEEDRLDBZFMLPR-UHFFFAOYSA-N 426.498 1.881 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 549279086 FBEGCSNAGFDCMF-CABCVRRESA-N 426.587 1.596 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(OCC4CC4)cn3)CC2)cc1 560054027 DLOPCFOISXQRRC-UHFFFAOYSA-N 427.486 1.284 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1Cc1ccccc1 610244876 LDPCNKZFHXLTKL-UHFFFAOYSA-N 439.924 1.869 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 619851303 BEDKRXRWMGUTPU-DLBZAZTESA-N 449.515 1.973 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 680516874 LJZFNZYMBGVODB-UHFFFAOYSA-N 430.512 1.994 30 10 IDEE COc1cccc([C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N2CCCC2)c1 732441824 HQWHJMHHFCKVAV-OQLSDQBISA-N 427.505 1.658 30 10 IDEE CN(Cc1nc(-c2cccnc2)no1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733958338 LLTKWPAZCYMVIB-UHFFFAOYSA-N 440.485 1.609 30 10 IDEE C#CCN(C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 774035634 IMQOYHYSPPDUBW-HXUWFJFHSA-N 444.557 1.628 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 780208680 DGQSWRGLARASNV-UYAOXDASSA-N 434.514 1.483 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 781104680 DNYFDHLWFXAEMK-UHFFFAOYSA-N 427.461 1.307 30 10 IDEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCOC2)c1=O 781662028 URPPYLFVSCSXJZ-LBPRGKRZSA-N 446.326 1.744 30 10 IDEE N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 787775144 AQZWYWIPOROHPQ-GOSISDBHSA-N 444.499 1.673 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(C)(C)S(C)(=O)=O 800781137 XAMKLTLKMLHTII-UHFFFAOYSA-N 426.564 1.794 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCc3cc(F)ccc32)CC1 801013090 IPDGRDLPEXMAMI-UHFFFAOYSA-N 442.516 1.918 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC([C@@H](O)c2ccccc2C)CC1)c1cc[nH]n1 804508260 UOYHPXHYXDASIQ-OAQYLSRUSA-N 428.489 1.974 30 10 IDEE C=CCC(F)(F)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 815313337 CTIPTEPBRNGZEX-ZSOIEALJSA-N 428.457 1.886 30 10 IDEE N#CC1(CC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 815414109 QVIJVQUULPTWIZ-UHFFFAOYSA-N 441.893 1.536 30 10 IDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4cc(Cl)ccc4O)n3)[nH]c2n(C)c1=O 1084125183 AOLBZQCTORZEFV-UHFFFAOYSA-N 447.868 1.035 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)NCc2ccco2)n[nH]1 1084176507 JYXLSRYZWSNROJ-UHFFFAOYSA-N 432.510 1.448 30 10 IDEE C#CCN(C(=O)c1cc(Br)ncc1Br)[C@H]1CCS(=O)(=O)C1 1125884141 RKTRGQCGFOEEOA-VIFPVBQESA-N 436.125 1.869 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)s1 1135645924 QWWYKRBAVDAMPJ-LBPRGKRZSA-N 443.572 1.280 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1135819922 KTKBPTRKLFBKFF-DLBZAZTESA-N 429.583 1.567 30 10 IDEE CS(=O)(=O)C1CCC(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 1136182948 LYFSVOFFUOGXDV-UHFFFAOYSA-N 429.546 1.978 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])cc1F 1141412104 ZGDCJUXVUZWJPY-UHFFFAOYSA-N 448.432 1.761 30 10 IDEE C=CC1(CC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1142544121 RHWCUBIDNULTOB-UHFFFAOYSA-N 429.521 1.642 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(Cc4nc[nH]n4)CC3)C2)C1 1165249665 JOVMVSJUONFZRB-TZQQIIETSA-N 429.525 1.236 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1176687853 MMFYXYIXULUEJW-TXEJJXNPSA-N 433.343 1.867 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)cc1 1184005415 FQQHAYSOALNLOK-UHFFFAOYSA-N 431.905 1.875 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1N1CCOCC1 1286301148 AEEDPAHYCGZOHE-KRWDZBQOSA-N 440.523 1.882 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1286389190 GXVVBVYGZUYWKP-QGZVFWFLSA-N 434.566 1.368 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1286408303 BTMLWHBJMLMIKA-CABCVRRESA-N 433.559 1.465 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286451737 OJYLQJJHOHLAKH-LSDHHAIUSA-N 447.561 1.728 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1286452099 BRODIZMTEHJAIL-HNNXBMFYSA-N 440.570 1.359 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286477305 WJBPVDXAWDFSTM-MRXNPFEDSA-N 434.470 1.375 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)CN2CCOCC2)CC1 1286486001 FGABHZBQXNBAAR-SFHVURJKSA-N 430.597 1.510 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCC[C@@H]2C)CC1 1286491269 LDCVDLBICCHVPG-IBGZPJMESA-N 435.576 1.714 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1286496525 SVPVSVDMTXFLPV-INIZCTEOSA-N 448.618 1.711 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286547563 IERDNBPAEJYNFZ-OAHLLOKOSA-N 441.374 1.685 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286823536 WAEDNAWYDTUGMD-UWJYYQICSA-N 447.561 1.249 30 10 IDEE CC(C)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1287271816 WNPXJHYBOMBOKZ-BZROSYFNSA-N 441.536 1.409 30 10 IDEE CN(C)S(=O)(=O)N1CC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 1287454933 XPJNXZBBHHSFTL-UHFFFAOYSA-N 439.969 1.425 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1288513622 GLZWBRRGGYXZOF-HNNXBMFYSA-N 440.504 1.737 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1noc2c1CCCC2 1288815786 AGYVZNRJWQEZAL-AWEZNQCLSA-N 447.565 1.933 30 10 IDEE CCN(CCC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1295796416 ATMTWDUAXDFFIX-ZJYNUGOYSA-N 427.509 1.382 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 1298950983 ZZPIOEWLSRCDSD-UHFFFAOYSA-N 431.474 1.417 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1300308481 CCHPCEDCIBNKOE-PKOBYXMFSA-N 447.561 1.456 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300313544 KTTTZEJHWKWKGX-CMKODMSKSA-N 442.589 1.926 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1300489015 YWYNSATYIKQDFE-ZWKOTPCHSA-N 430.578 1.774 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300503015 ZPQOZUGUSZAPSY-ZWKOTPCHSA-N 431.562 1.753 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(F)cc1 1300538361 OZBPXYUVXOUGMK-IEBWSBKVSA-N 430.505 1.780 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300775838 AQENGNZNCITFFY-UHFFFAOYSA-N 434.610 1.316 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O 1300886351 XFQXTOBZSFGDDN-ZOBUZTSGSA-N 425.555 1.081 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CCCO)CC1 1301063563 DITBXUQWAUFNCQ-GOSISDBHSA-N 425.537 1.929 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1-c1ccccc1 1301799494 GGVJOKYEBIQOBP-UHFFFAOYSA-N 449.519 1.510 30 10 IDEE COC(=O)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1303942040 MMBJFMLJPQPGOK-KRWDZBQOSA-N 435.546 1.991 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1304831376 QETBPMLYIOEOEV-QGZVFWFLSA-N 435.463 1.605 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4ccoc34)CC2)cc1 1309038625 BMDQHVZYSLXJNO-UHFFFAOYSA-N 431.495 2.000 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC)CC1 1313987996 FTQWDFFJUAWKSK-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1316097447 CFOYXKZIEXMJGN-LAUBAEHRSA-N 432.525 1.219 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1323730325 SZVQAOXPJQNNAP-CQSZACIVSA-N 433.983 1.511 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C\c2ccc(S(C)(=O)=O)o2)c1 1355983635 FXBRSIFOSDSLAA-CLFYSBASSA-N 442.493 1.570 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358871288 CJRSWKFXMOJLQS-BBWFWOEESA-N 444.561 1.399 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N(C)C 1358876039 AUTHIAGPAPAFMD-ZDUSSCGKSA-N 427.477 1.896 30 10 IDEE C#CCN(c1nnc(CC)n1CCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1358963332 GKLMCMVETIWJSU-FQEVSTJZSA-N 427.574 1.526 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1358963878 PJYPCAHBJKDNOX-MSOLQXFVSA-N 436.578 1.758 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)N(C)C)CC1 1359032262 HZGYUDYMBKKASY-UHFFFAOYSA-N 430.940 1.841 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1359113151 AVIWGKBVQTVKRW-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1)C1CC1 1359251569 ORFWVPKDMIFUIC-SJLPKXTDSA-N 438.598 1.108 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(C2CC2)CC1 1360680617 FXIYOULCQZVVBG-IFXJQAMLSA-N 439.561 1.205 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1Cc1ccc(C#N)o1 1360697659 CRESUTVDDSBESK-IAOVAPTHSA-N 434.522 1.549 30 10 IDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3nc(O)c(C#N)cc3C)c2)CC1 1440893935 UFMIUQFIWBODOD-UHFFFAOYSA-N 429.502 1.546 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1448355939 NTPLUVJWAKRHAF-WMZHIEFXSA-N 427.501 1.137 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1494135618 GEDSEXHDQFZYSN-YESZJQIVSA-N 440.552 1.492 30 10 IDEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503406586 ARPSEZGZFXNOHA-UHFFFAOYSA-N 447.540 1.384 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1504691644 AKSXTDUNRIGPIK-QGZVFWFLSA-N 430.534 1.325 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507538915 PZUNPYMUIIKPAW-XLAORIBOSA-N 437.566 1.050 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507627022 HYPBLFFQFPOMBO-HOTGVXAUSA-N 448.545 1.624 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1507631827 GOZPEPJJOGSOGS-UFYCRDLUSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507632997 RCJZKJXDQLVTFD-ZWKOTPCHSA-N 436.578 1.616 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1508091556 VGHWKTNPVKQXOQ-BRWVUGGUSA-N 448.568 1.824 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)O)C1 1508119784 XPOFMBODYWGMJG-KRWDZBQOSA-N 449.577 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCC2)CC1 1508142922 CMLBWLKHVHXFDF-UHFFFAOYSA-N 430.578 1.539 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@@H]1CCOC1 1513926001 ZMUHXKLUZQDULD-SFHVURJKSA-N 425.537 1.877 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1517598715 CHZSHYRHRLWOGB-KRWDZBQOSA-N 435.492 1.298 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(C#N)n1 1531381190 UMEOWSMIKZRNCG-JSGCOSHPSA-N 426.395 1.947 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539226489 ZFSUABLOGWYWMU-PMACEKPBSA-N 433.622 1.978 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(C)=O)CC1 1539396300 NUTKXGKWAKVDPE-UHFFFAOYSA-N 439.520 1.270 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@@H]1COCCO1 1539416442 OFAXDWZCCLGUGK-XLIONFOSSA-N 428.489 1.682 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)CN2CCCC2)CC1 1539430824 OIKCVFPMENMPKY-OFNKIYASSA-N 430.597 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(C(=O)NCC)CCC2)CC1 1539467547 UUGQOJPUPXWIOS-UHFFFAOYSA-N 428.581 1.848 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2nnc(C)s2)CC1 1539476240 SXDKLTCFKDUFLC-UHFFFAOYSA-N 436.545 1.709 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCNS(=O)(=O)CC 1539569826 JZUMZTYVSBHRTB-ABSDTBQOSA-N 439.582 1.324 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539637216 OISWHBLPVZDGJY-XMSQKQJNSA-N 430.597 1.858 30 10 IDEE C=CCSCCn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1540917629 BAPMLIUTSPALMS-UHFFFAOYSA-N 444.609 1.713 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1542996535 BVBXHUPSERZNFJ-UHFFFAOYSA-N 448.531 1.829 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 1544630835 UTZCPIYNMZAENZ-UHFFFAOYSA-N 443.460 1.182 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)C[C@H]1OC 1555786554 AKALPTNEIRFHGB-KDURUIRLSA-N 428.562 1.716 30 10 IDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)OCc2ccccc2)C1 1558643543 YQSFLGAFQAMEHS-IOMROCGXSA-N 431.514 1.432 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 1560150466 BFNHTAXWDKHNDX-NNMXDRDESA-N 433.503 1.519 30 10 IDEE COc1cc(CNC(=O)NCCNC(=O)c2ccc(Br)cn2)ccc1C#N 1564714239 PKLXLCBLTVEBGB-UHFFFAOYSA-N 432.278 1.954 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1587754525 HOZUQYFIGQSXMI-KRWDZBQOSA-N 435.488 1.349 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1588133345 DPHOWBXFXYSXCY-QGZVFWFLSA-N 438.536 1.642 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1594820124 UQMDXSPEKSHOSM-HXUWFJFHSA-N 440.548 1.684 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1595530188 WGANWXKPQKXIBT-INIZCTEOSA-N 429.525 1.003 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2cccs2)CC1 1595536472 AZAOGMQEOWSQHS-HNNXBMFYSA-N 442.545 1.692 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595551963 YTRHPUMKTRTFHR-MRXNPFEDSA-N 437.566 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OC)C1 1595759887 HGMXBGWRTBCHPP-HNNXBMFYSA-N 434.522 1.141 30 10 IDEE CC(C)N(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1608026437 HJAHSFRKNIRKLS-QGZVFWFLSA-N 426.525 1.773 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1611313421 BVJPOOQZZYJCFM-MRXNPFEDSA-N 449.606 1.381 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)n(C)n1 1612467662 DGZDIRHYMAKVSW-QGZVFWFLSA-N 425.518 1.530 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CCCCCO 1612885465 SQBDNMQQRDQOLB-QZTJIDSGSA-N 440.552 1.711 30 10 IDEE COc1cccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1619374001 AHXDIPYHLHFLSE-FHLIZLRMSA-N 426.477 1.434 30 10 IDEE CO[C@H]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619484133 VQOCFLMTILVCHJ-KSSFIOAISA-N 439.520 1.766 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1620041218 CGKNZDPLNYFMPW-DOTOQJQBSA-N 448.549 1.245 30 10 IDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1622294855 CDWAFHRDFHBWFW-LJQANCHMSA-N 446.592 1.792 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@]2(COC)C(=O)OC)ccc1F 1623359079 AFTPIUKNJLWTRM-LJQANCHMSA-N 428.482 1.474 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1623965468 WDLMHJXMFNCJHR-QGZVFWFLSA-N 437.541 1.560 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1630287634 IHRMHPPAFDYYAY-MRXNPFEDSA-N 442.541 1.503 30 10 IDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1631812023 GUPGWENJYSWWPA-FQEVSTJZSA-N 437.518 1.043 30 10 IDEE C=CCn1c(SCC(=O)NCC2(S(N)(=O)=O)CC2)nnc1-c1ccc(Cl)cc1 1633126044 CQROUDRLWFLUQS-UHFFFAOYSA-N 441.966 1.814 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCn1ccnc1)C1CCSCC1 1635229883 BCSWZANNAGPANK-INIZCTEOSA-N 447.586 1.846 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(CCC#N)CC3)nn2)CC1 1635905863 OBUHFVCUZMFDBZ-QGZVFWFLSA-N 431.541 1.912 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)C2)C1 1636446990 AMAOQGUWXXJMRI-QXGUJMOYSA-N 426.539 1.053 30 10 IDEE C#CCn1cc(CNC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)cn1 1640012664 GCUCXBPSEJIQBJ-UHFFFAOYSA-N 431.699 1.510 30 10 IDEE CCOC(=O)[C@]1(F)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC12CCC2 1641280795 WYRHCOQOEMSVLW-JLTOFOAXSA-N 437.493 1.509 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)CC1 1655121881 YBXFFUNDYIYUBR-SFHVURJKSA-N 435.569 1.722 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCC(=O)Nc2cccc(C#N)c2)C1 1659655651 DWKKMJILXZWNAC-UHFFFAOYSA-N 427.505 1.698 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(Cl)ccc3scnc23)CC1 1661772033 YKYSVQXXASHISH-UHFFFAOYSA-N 426.951 1.396 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 1668729021 RHVHGQQUFJWCBA-HXUWFJFHSA-N 442.560 1.766 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2=O)cc1 1672353485 QKPMFTZEDCEBPO-YADHBBJMSA-N 448.527 1.254 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1CCCC1 1683688295 AGAZIWYOLZDWSB-PMACEKPBSA-N 449.577 1.596 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689835806 SVSGVMFEDCGXAV-IAGOWNOFSA-N 441.532 1.915 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1689929985 IVEBURYFOJFSIB-ROUUACIJSA-N 433.578 1.336 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1690008702 MKIBGNUIPCTXSS-UHFFFAOYSA-N 437.500 1.317 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2csc(COC)n2)CC1 1690110743 XZYZRNFUCPJERW-UHFFFAOYSA-N 445.593 1.603 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1690153816 BXAHMIPCJHEOFY-QGZVFWFLSA-N 447.609 1.365 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1690292789 SDUJIYGEZSVPOQ-WOJBJXKFSA-N 429.613 1.971 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1690528286 ZAJYDDWOMOVYNN-KRWDZBQOSA-N 434.518 1.353 30 10 IDEE CC(C)CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1692455555 OQLMUAPPHAMYFW-LSDHHAIUSA-N 430.600 1.396 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1692742708 JZKLINJHYQMVBC-MAUKXSAKSA-N 433.534 1.492 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC1 1696824482 AMDLGMQCTDJBAB-UHFFFAOYSA-N 431.566 1.288 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC2(C1)OCCO2 1705544861 GODZIZZGKFTGAR-INIZCTEOSA-N 430.530 1.961 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)[C@@H](C)CC 1705612460 HDDIHMPMRIMOIY-ULQDDVLXSA-N 427.571 1.132 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705734321 KXINDNJZEOTOHG-GOSISDBHSA-N 448.593 1.881 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1705830158 KGIBMVKEHLYGEB-MSOLQXFVSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705905122 KGPPWHYQBKGJKE-GOSISDBHSA-N 425.537 1.307 30 10 IDEE CC1(C)CN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCO1 1706955685 FTAVUANYRGXGEH-UHFFFAOYSA-N 437.548 1.629 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1711355436 BNXGFDZCRXJJCY-INIZCTEOSA-N 425.537 1.641 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1722326406 TWHQSMDIXXYFEX-UHFFFAOYSA-N 441.557 1.869 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)N(C)C 1722345493 FXGHVJXSHPOHCZ-UHFFFAOYSA-N 432.550 1.133 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722368014 OLFKMHJXHDVCQG-GOSISDBHSA-N 427.530 1.622 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722371190 URDBYQMBVNGHMJ-IYWMVGAKSA-N 449.621 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1722391494 OFDLREHTSLQEIE-KRWDZBQOSA-N 434.504 1.852 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOC2=O)cc1 1722401459 YJKUUCMHJMZWBD-UHFFFAOYSA-N 446.511 1.868 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1722402257 JYBSUGJIUZVHQQ-MRXNPFEDSA-N 432.550 1.603 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CC2)CC1 1722447134 FUHUHIWYLAHUAN-QGZVFWFLSA-N 449.577 1.063 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722456982 LOURTYVIQXHRST-HNNXBMFYSA-N 434.543 1.664 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722525261 YKEOHFZOIIYSQL-MRXNPFEDSA-N 425.555 1.007 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCN(CC)CC)CC1 1722565864 DNHAIESFPCVNIX-GOSISDBHSA-N 425.599 1.695 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CCC)C(=O)C1 1722699447 ISVNURWQCISIFV-UHFFFAOYSA-N 428.512 1.759 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNC(=O)C1CC1 1723627267 KNCWSPJSAWPJIM-MOPGFXCFSA-N 435.532 1.686 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728630615 JLVIXJTYFFPEJY-PMACEKPBSA-N 431.585 1.666 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1729110856 UGCXYPNZLVEBSO-WMZOPIPTSA-N 437.504 1.668 30 10 IDEE COCC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1730505717 RLOXZSKOZAORTG-HNAYVOBHSA-N 442.561 1.927 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ncnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740623965 BKFAVOVVLVFCTM-KRWDZBQOSA-N 425.518 1.096 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740625473 FVOLSGFCEGTPIX-VAMGGRTRSA-N 449.621 1.531 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1740764705 IXXZTZHJFYHKGS-YVWKXTFCSA-N 433.553 1.842 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1740838780 YHJCDZVRZGYJNO-GOSISDBHSA-N 444.561 1.522 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1740891090 RCXWVFWKWVFEQA-LLVKDONJSA-N 432.348 1.170 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1740921799 IYRPEUALVABJRB-MRXNPFEDSA-N 430.534 1.342 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740961684 HQGKLPYNTJIHCL-QZTJIDSGSA-N 436.564 1.738 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(O)CCSC1 1741371623 GJWGCLNHSVZXLF-FOIQADDNSA-N 428.566 1.646 30 10 IDEE CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1743190891 FDOBGHWTWXLEGN-PXNSSMCTSA-N 437.614 1.750 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1747534917 LGLCRGGIQFBEAP-OAQYLSRUSA-N 442.545 1.310 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCCc1ccccc1 1748689397 BOOKGDICANHSRY-LMNJBCLMSA-N 425.533 1.819 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1748731732 KLCBIEPAEGJWKZ-DOTOQJQBSA-N 435.554 1.096 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1748751048 BEPVBIKIICGBDU-INIZCTEOSA-N 438.579 1.426 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748803101 UZURBDODLWUEPL-SFHVURJKSA-N 435.594 1.821 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1748804053 CMCAZUKGJODIIT-XLIONFOSSA-N 434.518 1.198 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1749001439 RDXUBGYTBJCGRP-LJQANCHMSA-N 441.532 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccncc2)CC1 1749015185 AKBFJNPEDWHOLK-UHFFFAOYSA-N 446.559 1.743 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC[C@H]1C 1749220091 AYIINSVMBJYRTA-CRAIPNDOSA-N 448.549 1.139 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749261437 RUIRCCMSWPLFAF-UHFFFAOYSA-N 441.923 1.742 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749728335 HLJZVDMPXNXISA-IBGZPJMESA-N 428.493 1.107 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CC(=O)NCC(F)(F)F)c1 1750381077 HSOJLSMTCUXXHU-IBGZPJMESA-N 447.421 1.212 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1751171716 FUBZVOGWIUHZDE-HJFSHJIFSA-N 435.575 1.597 30 10 IDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c1 1751726360 GJAFHZJOWPTDKQ-SFHVURJKSA-N 425.518 1.645 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760161672 MUEADSFKXFJKLG-IXDOHACOSA-N 443.552 1.676 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1760194890 SDDTXAWAMAJQDI-KRWDZBQOSA-N 440.573 1.392 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760360659 JELLLZHEYCEWNC-IAGOWNOFSA-N 427.571 1.488 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1760422453 MTAJSJRINQSCCW-MRXNPFEDSA-N 438.598 1.836 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1760453893 NHLIIEGLHGPDSA-UHFFFAOYSA-N 432.550 1.805 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1760490230 SCEKHRZZPIYVKA-CEXWTWQISA-N 427.553 1.657 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3ccnn3C)C2)nnc1[C@]1(OCC)CCOC1 1760528445 CMKCRKYNBZGGSD-JTSKRJEESA-N 443.552 1.350 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1760540579 LFEFLBIRIOSEKX-HKUYNNGSSA-N 426.521 1.616 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@H]1COCCO1 1761037162 VNGCAQSMLLYSBZ-QZTJIDSGSA-N 440.552 1.659 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1761077722 GVOXFYADRPACKT-KRWDZBQOSA-N 433.582 1.923 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1762245593 GCTDXVUAVRMYBD-INIZCTEOSA-N 434.522 1.333 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1763513193 ORJFYIJJCJOSKY-JTDSAVPOSA-N 439.520 1.814 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2CCCO)CCOC1 1765856669 BKWLTIXNSYYEOF-DENIHFKCSA-N 432.569 1.517 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC(C)C 1766089466 BWSAXJKIJCQAGD-QGZVFWFLSA-N 442.520 1.899 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1OC 1767748548 GEDBMHQRWJKNMQ-MOPGFXCFSA-N 426.521 1.831 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1768800487 AUXMGPIZDJIKFU-JXPGLKHUSA-N 430.509 1.519 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1769097017 ZAUHODKNDJUPQQ-ALARNLJQSA-N 444.536 1.907 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1769102873 MVSVWXDVGKATQA-NFSBEEMKSA-N 430.509 1.170 30 10 IDEE CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1769320313 LLISBQYFMFTTPZ-LPHOPBHVSA-N 442.520 1.588 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(=O)(=O)CC 1772564545 OWLMSIBYFSDBFE-UHFFFAOYSA-N 434.570 1.014 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772792784 OIZUXNLPTOWDGM-NSHDSACASA-N 431.426 1.066 30 10 IDEE CN(C)CCCNS(=O)(=O)c1ccsc1C(=O)ON1C(=O)c2ccccc2C1=O 1772792861 PQQUZWCVBYBRKD-UHFFFAOYSA-N 437.499 1.346 30 10 IDEE CC(C)(C)[C@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)N1CCS(=O)(=O)CC1 1852940630 ISHJYWAXBZXFSV-FQEVSTJZSA-N 448.589 1.716 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)CCN1CCC#N 1855882130 CIPMTJYXYNSEFT-INIZCTEOSA-N 436.509 1.342 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1=O 1856919495 PJIZGBURLOXQDD-MRXNPFEDSA-N 431.514 1.311 30 10 IDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1857242847 QHTLPWVJDABPKQ-OALUTQOASA-N 437.606 1.854 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4ccc(C#N)cc4)C3)ccc21 1858415496 WHNJUDMEPDORLY-CQSZACIVSA-N 426.454 1.652 30 10 IDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NC[C@H]3CCCO3)cc2)c1 1858651520 WTOXFDYREVGOBD-GOSISDBHSA-N 442.497 1.655 30 10 IDEE CC(C)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868783707 UIQASKUJBKVRRP-ICSRJNTNSA-N 431.606 1.940 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873561125 GKFKAJSWARSJPB-CALCHBBNSA-N 431.537 1.966 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC(CO)C1 1879576639 HKHOAMRVGJYNBA-UHFFFAOYSA-N 448.329 1.380 30 10 IDEE C#CCO[C@@H]1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891387826 RZMOIYOPYPQWRH-DLBZAZTESA-N 435.509 1.870 30 10 IDEE C#CCO[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 1891838784 WXTBOEJGBDGKMC-QUCCMNQESA-N 433.530 1.439 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 2022914026 IKICABFVOHNQKL-GXZWQRSESA-N 438.525 1.624 30 10 IDEE C#CCn1ncc(NC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1=O 2190274237 SONOSDQKYZLUJM-UHFFFAOYSA-N 441.326 1.813 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243372931 ROPYTXSFANYOSF-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248405183 RXIDYPXXTKDUOM-CQSZACIVSA-N 444.359 1.065 30 10 IDEE CCn1cc(C(=O)N(CC(=O)NC)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255648957 OXFOMMRGXOHQFL-UHFFFAOYSA-N 426.326 1.591 30 10 IDEE Cn1cc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2255655689 PPTSTNNRTZHRGY-KRWDZBQOSA-N 430.236 1.002 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2255692934 DKEUVKMTSSTZAN-ZDUSSCGKSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)NC1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2255697329 GXWXSUBPWXEURQ-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE Cn1ncc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2255829678 TUITVMBVOVPMSS-UHFFFAOYSA-N 432.330 1.412 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267274082 VLFBPWFDWFHGPH-HOTGVXAUSA-N 447.341 1.481 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267500550 KMNIKGUGFOHVJS-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267524077 KUVKBLIIHAJAIN-MIFYACCESA-N 446.357 1.623 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2269706614 BXQDTSTZMUAKAD-JOCHJYFZSA-N 449.357 1.695 30 10 IDEE COc1ccccc1[C@@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@H]1C#N 72444266 BHBIGWAGDLNQMN-HOCLYGCPSA-N 437.456 1.346 30 10 IDEE CN(CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1 109933709 RPJSVDNVUCFEIO-GOSISDBHSA-N 444.538 1.719 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 111001533 BMDUAWYAMGPDDP-ULQDDVLXSA-N 426.498 1.573 30 10 IDEE O=C(O)CN(CC(=O)O)/N=C\c1cc(Br)c(O)c(Br)c1O 169880637 LBDFVKJBLZQCQV-VVHNFQOZSA-N 426.017 1.428 30 10 IDEE O=C(NCCCNCCCNC(=O)C(=NO)c1ccccc1)C(=NO)c1ccccc1 252461066 KHQOKRKRRYMRMU-UHFFFAOYSA-N 425.489 1.346 30 10 IDEE CC(=O)Nc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 434549988 RNEYFSAHJRJTAW-UHFFFAOYSA-N 442.501 1.128 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 441895587 GVJSLUBSBPLNME-UHFFFAOYSA-N 439.438 1.574 30 10 IDEE Cn1ccnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)c1=O 466902692 ZHUXSRCNLYSQPD-UHFFFAOYSA-N 427.408 1.182 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)CC1 543364072 KYOHOSCBSWGUJM-UHFFFAOYSA-N 426.525 1.546 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)cc2C1=O 572913863 UQAIVMFRVHREAV-UHFFFAOYSA-N 448.435 1.975 30 10 IDEE Cc1ccn(-c2ccccc2CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 587648589 ZADZVQNVZMRACG-UHFFFAOYSA-N 443.511 1.849 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cc(C)cc(C)c1 603787761 HAFQIVCXTKSFHK-UHFFFAOYSA-N 433.533 1.782 30 10 IDEE Cc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nnn1-c1cccc2c1CCN(C)C2 612819920 CREOCWGHAGVZJN-UHFFFAOYSA-N 442.527 1.793 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 679532461 SBHIKNZOMYSTBI-UHFFFAOYSA-N 439.534 1.517 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 729331047 MHUNODLYCMEXEP-GOSISDBHSA-N 438.571 1.514 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2cc(Br)cs2)C1 749789052 KQVQYYOHSWVIAE-CYBMUJFWSA-N 433.372 1.621 30 10 IDEE C[C@@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754772319 CECNJTPLAIBEFX-LLVKDONJSA-N 436.287 1.944 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2=O 757592155 JBGWTUAYFJVSOK-CELYABABSA-N 433.509 1.362 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)c(F)c2)c1=O 758070605 VQFLWFIIHBAMTQ-UHFFFAOYSA-N 446.301 1.226 30 10 IDEE CCN(Cc1ccccc1)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767679924 OQMKJLGYSPUBLH-INIZCTEOSA-N 429.498 1.817 30 10 IDEE Cc1cccn2c(=O)c(C(=O)NS(=O)(=O)c3cc(Br)cc(C#N)c3)cnc12 773786937 RPHLQWVEPOITSB-UHFFFAOYSA-N 447.270 1.756 30 10 IDEE Cc1cc2c(N3CCN(C(=O)CCN/C(O)=C4\N=CC=CC4=O)CC3)ncnc2s1 781258290 ZVLNQAIXTPGIIO-HTXNQAPBSA-N 426.502 1.565 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@@H]1CCCO1 782588657 LXUSTBQIGQWQRG-AWEZNQCLSA-N 444.582 1.452 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CC)c2cccc(S(N)(=O)=O)c2)n1 788970898 LBEPFAPAAJCMDM-IBGZPJMESA-N 433.534 1.473 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccoc2C2CC2)CC1 798707124 ZNHHUZBLUDHPHH-UHFFFAOYSA-N 443.481 1.719 30 10 IDEE C[C@@H](OCC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccn1C 805857198 PTRWWAJSPFXHBS-CRAIPNDOSA-N 440.460 1.464 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2=CCCOC2)C1=O 807934880 OGXYFYLBFJEYDA-LJQANCHMSA-N 441.557 1.904 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)c1 1132647133 FTQGXYOGIDLIKT-OAQYLSRUSA-N 438.553 1.602 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCC(=O)N1CCOCC1 1135401974 CGDQCRPCVZGMHX-FQEVSTJZSA-N 442.516 1.758 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)CC2)c1C#N 1138262490 JBOKMCZMKHRVBJ-UHFFFAOYSA-N 448.281 1.816 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1140678736 IADJYRSCBLZYPA-LSDHHAIUSA-N 445.463 1.634 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nnnn3CC2)cc1 1141966456 DBLVYPDUMDHECX-BXPXOOBPSA-N 445.549 1.857 30 10 IDEE C[C@H](CC(=O)N1Cc2ccccc2NC(=O)[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 1166313029 TYNYHFKCDSRPHZ-ZIAGYGMSSA-N 426.498 1.873 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)nn1 1175844294 BHRODENUBIRCCV-QGZVFWFLSA-N 435.488 1.940 30 10 IDEE CC1(C)OB(C2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)OC1(C)C 1176612329 SIHUNKXMLKFDIZ-LJQANCHMSA-N 449.401 1.785 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN(C)CCc3cccc(C#N)c3)C2=O)cc1 1197113820 CUXKSBPYOOXBRG-QHCPKHFHSA-N 435.484 1.540 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)n1 1211730978 KNWBIEIYXZKRAO-NDEPHWFRSA-N 439.563 1.213 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386523 CBEBRZKMFUTEIJ-MRXNPFEDSA-N 445.545 1.059 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1286400353 DBZBARJTVQNLQY-IPBJYNAHSA-N 440.569 1.930 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1286421318 WZJUVPZDYYYYRB-QGZVFWFLSA-N 443.573 1.627 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1286508605 NLYYDXPUOIEATD-UHFFFAOYSA-N 428.562 1.727 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286830985 XXBVQRSQZWFQGN-UHFFFAOYSA-N 443.577 1.130 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](OCC3CC3)C2)n1Cc1ccc(C#N)o1 1288843980 LJVVTAHLXCIUKK-PBHICJAKSA-N 448.549 1.797 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCOC2)cc1Br 1289606030 UMHNCMJHJGOOOA-HNAYVOBHSA-N 448.321 1.896 30 10 IDEE Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1290304132 JUECMEGETWTIGW-WMLDXEAASA-N 447.565 1.323 30 10 IDEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1295794385 DQXAIMNMWSXZQK-OAQYLSRUSA-N 429.546 1.993 30 10 IDEE CCN(CCC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1295799506 VNHFPNNKMJAQAA-SFHVURJKSA-N 448.549 1.750 30 10 IDEE Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCC(C)(C)C)CC2)n1 1298905274 APTRFKARYPKWDI-UHFFFAOYSA-N 434.552 1.947 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NCc1ccccc1 1300270802 FHYZFWXYAPJTHZ-JKSUJKDBSA-N 432.550 1.053 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1300431081 SOCNFPOIDDNTRJ-CJNGLKHVSA-N 440.520 1.539 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1300487666 KXYOLDWPUAHRFH-HZPDHXFCSA-N 449.627 1.815 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300496105 OCGCFEYZRFOLLM-HZPDHXFCSA-N 446.520 1.818 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1300498429 KDYDOLJEWIQIBW-IBGZPJMESA-N 443.573 1.329 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1300556868 NVANFJMTJKWXJH-INIZCTEOSA-N 445.545 1.417 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCC2)nc1 1300675749 VNVHXFZYURJULC-UHFFFAOYSA-N 437.548 1.530 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1300701246 MBZGLJAXBNYKTA-UHFFFAOYSA-N 430.578 1.210 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC(=O)N2CCCCCC2)CC1 1300730950 HVKXYJDJHZAKKU-UHFFFAOYSA-N 444.580 1.573 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1301414010 JXJOBGYDVZTSOO-OHQAAIJDSA-N 431.493 1.755 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301485019 PWJZOQYHHYMMIR-UZUQRXQVSA-N 436.516 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301491890 PYZOPDIPWBTOEU-MRXNPFEDSA-N 427.440 1.656 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1301492010 USLDOGXPQNRIAG-QGZVFWFLSA-N 433.516 1.758 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1301587861 AMGCVKRITXUARQ-INIZCTEOSA-N 435.506 1.927 30 10 IDEE CC(C)Cc1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302870538 QBDHIAHASVDRFA-BRPDSHCFSA-N 444.536 1.387 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1303203952 DDHGWXULNUONIW-SPEDKVCISA-N 429.569 1.716 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)[C@H]1c1nccn1C 1303900613 PGZYQFIQHXNEAT-UXPWSPDFSA-N 437.504 1.078 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(-n2cncn2)nc1 1305721404 DAGFYCWNAAJJQR-OAHLLOKOSA-N 436.524 1.816 30 10 IDEE CCc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306117263 FVVSXILUIZUNQK-VXPUYCOJSA-N 441.536 1.206 30 10 IDEE CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1314658681 FOSAGRULIGCBLI-FQEVSTJZSA-N 444.499 1.967 30 10 IDEE COCCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1316030018 HCOJQWDLTGFDHS-KRWDZBQOSA-N 439.568 1.501 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1351736122 OZVWINVRHWHYFD-UHFFFAOYSA-N 425.371 1.045 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 1358922540 JCSCNECJEZCDKK-UHFFFAOYSA-N 427.530 1.573 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1358937701 FHXAETGJNJABNU-MRXNPFEDSA-N 427.534 1.251 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@H]1C 1358968774 YJLSFMBUYGVWGJ-AOMKIAJQSA-N 441.919 1.474 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1358971569 AFQQBMJHOOCYAY-UHFFFAOYSA-N 429.427 1.478 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359062242 AARSHZDGSDXFHE-AABGKKOBSA-N 449.621 1.527 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359297205 IRVMFPOFIWPACU-HNNXBMFYSA-N 433.534 1.269 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1359322627 ZJYTXTIXCMYWLS-NVXWUHKLSA-N 437.566 1.020 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1359473392 BIVFKEMUGKXMDI-INIZCTEOSA-N 425.541 1.526 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)s1 1449404204 XPPPJIUGGANSJC-UHFFFAOYSA-N 438.579 1.345 30 10 IDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC2=O)cc1 1450463653 BOYKCJCGHOZIDP-SFHVURJKSA-N 432.484 1.613 30 10 IDEE COc1ccc([C@H](CO)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1451107131 KPKKMQYGHIVNOZ-FXAWDEMLSA-N 436.468 1.664 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454874440 GUMDLXZYRRMUOF-HNNXBMFYSA-N 441.488 1.585 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(Br)c(C)ccc3[nH]2)CC1 1455115660 QIXONYVABHTPCG-UHFFFAOYSA-N 439.335 1.464 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 1466063652 CGVGXMMFEUQNAK-CQSZACIVSA-N 446.558 1.154 30 10 IDEE COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1475400568 GPNCAAXYENSFPF-LLVKDONJSA-N 434.287 1.185 30 10 IDEE CCc1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499029773 JBXWQPNOCWZDBA-XOMICKMZSA-N 441.536 1.110 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1503860163 FKKIXOLXBDUVSG-NVXWUHKLSA-N 429.502 1.251 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1C(F)(F)C12CCC2)[C@H]1CCS(=O)(=O)C1 1507636609 BHUCLUQQCURMDL-GJZGRUSLSA-N 428.505 1.877 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1507691056 ZWCAJCMCOMQDDH-INIZCTEOSA-N 427.571 1.276 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)NC2CCCCC2)CC1 1507718836 IBVXAMJFOYRMRX-GOSISDBHSA-N 432.569 1.206 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC[C@H](C)C2)CC1 1507732932 LQVIAXXXNOXNRB-ACRUOGEOSA-N 430.597 1.489 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1507760754 GIDXNHRBTHLJRY-DHIUTWEWSA-N 445.564 1.560 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)C1 1508072140 GVIRJPLJVHNCNT-UHFFFAOYSA-N 433.310 1.288 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1508093801 KDHIOIRTASIUGH-UHFFFAOYSA-N 440.548 1.824 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1508148019 PKGDTMWNHOXWFH-OAHLLOKOSA-N 427.596 1.447 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1515392370 BIBQIDHAQNDNOF-XLIONFOSSA-N 447.586 1.698 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(OC)c1 1518262392 FFGACRMGYVTHIA-AWEZNQCLSA-N 448.549 1.694 30 10 IDEE COc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1518547031 AUTNWTRLHKVYAG-UZLBHIALSA-N 430.534 1.762 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1519178523 ILWGLMRKZBLDBN-HLLBOEOZSA-N 432.500 1.980 30 10 IDEE Cn1c2c(ccc1=O)[C@H](NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCC2 1537919333 KYEOCBBLJBFUPK-QZTJIDSGSA-N 433.468 1.656 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539215465 CWOBWGAMOOFEIM-LNLFQRSKSA-N 442.545 1.343 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1539265933 LAASXVWBVHGUFX-GOSISDBHSA-N 442.541 1.709 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCS(=O)(=O)CC1 1539400005 XHKXEXCKLPPMIS-UHFFFAOYSA-N 447.517 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2F)CC1 1539476915 HNAYYNYCZWLELH-SFHVURJKSA-N 442.470 1.522 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539517191 JRRVHQXWLFAXBR-QAPCUYQASA-N 427.530 1.824 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539909994 SCHIMVDCYQBDEV-OAHLLOKOSA-N 443.939 1.743 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1540019973 OSRINQWLWXFQLY-UHFFFAOYSA-N 427.509 1.481 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1540899816 BAPMAQSZERAJLX-SFHVURJKSA-N 442.545 1.380 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540916260 VBYVNIAPRZKZJJ-JKSUJKDBSA-N 434.566 1.912 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCC(O)CC2)CCOC1 1541724486 SGXVTFNRXHZWIY-HSZRJFAPSA-N 446.596 1.905 30 10 IDEE COc1cc(N)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1S(C)(=O)=O 1543376824 FGRQWVDMEAISQX-INIZCTEOSA-N 428.514 1.531 30 10 IDEE C[C@@H]1C[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1543713928 ZMZPPOJGNWPQAX-QBPKDAKJSA-N 432.525 1.971 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CCCCCO 1544581876 AUSMVKJZNISKCM-GOSISDBHSA-N 447.547 1.803 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2=O)cc1 1556457506 HVCMCXXSADHBMS-FQEVSTJZSA-N 448.479 1.159 30 10 IDEE C=CCONC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1556632988 MDFQVJPLPSQLQD-BLLLJJGKSA-N 431.942 1.969 30 10 IDEE COc1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc(OC)c1OCC(N)=O 1570830454 BFJVLCRKNCJLNT-SFHVURJKSA-N 438.484 1.790 30 10 IDEE Cn1nccc1[C@@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1583215850 AGFTUHLMJPPXIC-SFHVURJKSA-N 445.545 1.619 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C1CCOCC1 1586730045 KTCFFIZSYFXAGW-OAHLLOKOSA-N 429.336 1.858 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CCOC 1587567217 DEBNKXAOJUZDKQ-VFNWGFHPSA-N 448.593 1.792 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)N(C)C 1587936962 DHBMAOLHHIRGBF-UHFFFAOYSA-N 426.340 1.668 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587999128 QQRKDPAEJVBRNG-QGZVFWFLSA-N 447.465 1.849 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588053070 AREGZSNKKGNZHV-SQNIBIBYSA-N 449.577 1.205 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1593741898 ZUXSSWPQQQLWLT-MOPGFXCFSA-N 446.596 1.554 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1595259675 BCDCGFLDILTLRH-KRWDZBQOSA-N 430.534 1.974 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 1595411247 YLQOXUOADVCITK-GFCCVEGCSA-N 436.417 1.021 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCSC2)C1 1595674132 MWZMYJDGPHKSLH-QRWLVFNGSA-N 430.534 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)OC(C)(C)C1 1595754672 PXPYTGIPECHVLF-OAHLLOKOSA-N 425.555 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1595831601 UJOXTYFVPZQPGI-MRXNPFEDSA-N 449.602 1.791 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3(C#N)CCSCC3)CS(=O)(=O)[C@@H]2C1 1596303123 IXRALEPEMOTAKS-RBSFLKMASA-N 443.591 1.562 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1610979221 AWXUWOWHDCYGIF-FQEVSTJZSA-N 441.532 1.988 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1617594919 HKJLSPTYAODVQC-LJQANCHMSA-N 435.532 1.886 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(COCCO)CC2)n(-c2ccccc2)c1C 1620594297 MHPLQENVSONMCA-UHFFFAOYSA-N 426.517 1.740 30 10 IDEE CNC(=O)CNC(=O)c1cccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 1624210348 FNNGVLILUFUAPO-UHFFFAOYSA-N 434.500 1.825 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)cc1 1624525899 RWAFYAIWLGFLHC-HXUWFJFHSA-N 442.541 1.368 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC(=O)NCC#N)Cc1cc(F)c(F)cc1F 1627010391 SEUVMZAYBYENAS-GFCCVEGCSA-N 428.411 1.686 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1629926605 OWISLFAWUDREEG-UHFFFAOYSA-N 430.910 1.691 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OCC 1632067413 RJABQWOIHZHGIG-NVXWUHKLSA-N 444.937 1.948 30 10 IDEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CC#N)CCOC)c2)CC1 1642102908 GWGWPBAACIMGNE-UHFFFAOYSA-N 428.942 1.278 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)cc1 1642234337 MROUGLMULRNIAA-IBGZPJMESA-N 428.514 1.907 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@](C)(CO)Cc1ccc(Cl)cc1 1643894087 XAPXWRYPOIZHGH-VLIAUNLRSA-N 435.933 1.988 30 10 IDEE N#C[C@@]12CN([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1644636955 SGZQGUFESRJHLC-MJEQTWJJSA-N 429.420 1.561 30 10 IDEE COC(=O)C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1645610325 QLJBHKHWCMCOHT-HZPDHXFCSA-N 435.546 1.943 30 10 IDEE CCC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1649642458 OXFYLHNKPUEJHQ-ZWKOTPCHSA-N 438.536 1.638 30 10 IDEE C[C@@H]([C@@H](C)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F)S(C)(=O)=O 1654141358 CGEKFJXKILIFML-BDAKNGLRSA-N 427.317 1.902 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1657666396 RXOUKNKEWJXZPC-RDJZCZTQSA-N 439.534 1.819 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1663918780 IODKQJCGXINPIJ-LSDHHAIUSA-N 445.463 1.634 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1668264895 GITIQCYFROMWEX-UHFFFAOYSA-N 430.509 1.203 30 10 IDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F)[C@H]1CCS(=O)(=O)C1 1672004762 UENCMUFWYKFOEO-AWEZNQCLSA-N 431.511 1.632 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(Br)c2F)CC1 1673262241 WQZXBVGRINWSHQ-UHFFFAOYSA-N 437.266 1.344 30 10 IDEE C#C[C@H](NC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1674026354 XPFDNIYOASYHHV-CVEARBPZSA-N 429.336 1.969 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1682226641 OBPPSWQFWJKDFA-VQTJNVASSA-N 426.517 1.934 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)N[C@@H]4CC[C@H](C#N)C4)C3)[C@@H]2C1 1683504422 TZMKFPIFJFMBGF-UTSKFRMZSA-N 433.509 1.903 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 1687340139 HIZLONUNQGFZQG-HXUWFJFHSA-N 441.557 1.557 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1689898121 SSVQSFVEDMZVDY-HXUWFJFHSA-N 435.532 1.834 30 10 IDEE C#CCCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1689941340 NAXZJDMVQZSERS-DNVCBOLYSA-N 443.470 1.848 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1689988959 ZMBQGIIRGRPIEH-KRWDZBQOSA-N 444.561 1.569 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1690010028 SRXVPSVHFPDQJG-UHFFFAOYSA-N 435.484 1.038 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOCC1 1690089958 RJSLCCXFYVJLCM-HXUWFJFHSA-N 440.523 1.730 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1690091366 QSYVBFUHVWXPPH-QGZVFWFLSA-N 447.536 1.437 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)[C@H](C)CC)CC1 1690143955 HOYDBFFIOMCFLK-NJAFHUGGSA-N 430.553 1.256 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690661995 NWBKGUQWECWFKX-HXUWFJFHSA-N 449.964 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CCC)C(=O)C1 1690667156 RWDSTJOUIQHRIF-UHFFFAOYSA-N 440.504 1.425 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690673005 KOSBUTMDPDOSHP-QGZVFWFLSA-N 425.537 1.259 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS2)CC1 1695929852 AAHHMRGAYOPXBO-IBGZPJMESA-N 439.589 1.970 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1697778942 DVQARHMEAXBKEI-MSOLQXFVSA-N 441.511 1.802 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCCCCC3)n2Cc2ccc(C#N)o2)C1 1698312854 CJERAVNLEBRTNE-KRWDZBQOSA-N 434.522 1.504 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCn2cnnn2)CC1 1705633647 VFTJGBJUPBGBSR-KRWDZBQOSA-N 439.499 1.389 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2c[nH]nc2C)CC1 1705634956 NJAPYMLLUOPCDT-QHCPKHFHSA-N 441.580 1.738 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705663885 GLDUCBJDKWCUMR-SFHVURJKSA-N 442.593 1.546 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1705700753 XYHQCSYWLWLEPA-WMZOPIPTSA-N 434.566 1.615 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705725609 LCSFXCOTGOTCQF-GOSISDBHSA-N 435.594 1.985 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1 1705857209 BIVRHXVOTCISCH-QHCPKHFHSA-N 436.516 1.730 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1705907513 OYUAOGGMVJJNSH-ZBFHGGJFSA-N 444.561 1.576 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccncc1Cl 1706622647 UNPAJHGYHBSQRK-INIZCTEOSA-N 428.928 1.690 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCCCO)n1 1707832049 WHQUFWWGWMDUKU-UHFFFAOYSA-N 449.563 1.896 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCCS(C)(=O)=O 1708152435 DQXDYUKLJFWRJZ-OAHLLOKOSA-N 444.565 1.042 30 10 IDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1712843628 UUMHHZBAKOZDOQ-HUUCEWRRSA-N 433.513 1.156 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1722298413 ZPUGDKDEYGWRPH-YWBAYFEHSA-N 444.499 1.501 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCS(C)(=O)=O 1722389168 FDFCEACMUSQKJR-UHFFFAOYSA-N 430.530 1.860 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722458124 DEVGZZTZUIROHS-ZBFHGGJFSA-N 444.565 1.170 30 10 IDEE C=CCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@]1(OCC)CCOC1 1722691275 QYTQAUNUDZHYLA-QFIPXVFZSA-N 429.569 1.789 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1722697188 GXKUIPJLJMEWEB-UHFFFAOYSA-N 429.488 1.859 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722697717 NOXXPSARKLFZKB-UHFFFAOYSA-N 440.577 1.986 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1722703659 DUALWNSNRVFFPI-ZDUSSCGKSA-N 434.953 1.838 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCN(C)C2)C1 1722713333 AQXQOZVNCVYFJQ-JPYJTQIMSA-N 443.548 1.810 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CCO1 1723708311 GZDUHXJTLDUUOG-IBGZPJMESA-N 427.505 1.884 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCCCO)cs1 1725405794 CWWZIFVBNAMLTD-SFHVURJKSA-N 447.634 1.926 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC[C@@H]1C 1730403425 GXFHAUYIOWYHLH-NBCNXNJRSA-N 427.505 1.741 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1730805152 OFSCSVUQIYBIQQ-IBGZPJMESA-N 444.511 1.780 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1731018748 NUQQNASSXGIOBX-GOSISDBHSA-N 440.476 1.377 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1731183995 XQUJXZDLCPRSOS-KKSFZXQISA-N 428.468 1.750 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740570156 BJROXPVJZSORPC-LJQANCHMSA-N 441.580 1.167 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 1740577608 KARYWLNRPHCEPS-UHFFFAOYSA-N 426.569 1.201 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1740610977 PZUXWICWSMMJNS-IBGZPJMESA-N 447.561 1.376 30 10 IDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1740658144 HFWAHQOTECNANO-UHFFFAOYSA-N 434.588 1.877 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1740692655 NPXGMBCEMGRCCK-XUZZJYLKSA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)on2)CC1 1740698899 OZCASWOSUSHICM-UHFFFAOYSA-N 425.518 1.370 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccccc2)CC1 1740701102 URCZYHHVQALTKS-FPOVZHCZSA-N 425.533 1.836 30 10 IDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)CC1 1740795140 OPQSYWRKYIHDCG-UHFFFAOYSA-N 445.593 1.614 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740951062 BSQDEZUWGOZYGL-HOTGVXAUSA-N 425.493 1.375 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 1740995318 HWROMFYZVOPMJI-UHFFFAOYSA-N 430.582 1.941 30 10 IDEE CC(C)C(=O)NCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1741131191 DREVMXAJTSAWGW-KRWDZBQOSA-N 439.568 1.820 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1=O 1741560211 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RTHJXLLUZMEMLY-IPMKNSEASA-N 449.621 1.904 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749232876 WHKYLUZWRRMUMT-UHFFFAOYSA-N 448.593 1.717 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749375770 HUUVSTYVYNEMOZ-KKSFZXQISA-N 444.467 1.744 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1749531945 OHSFBCNDFAJFHU-XUVXKRRUSA-N 436.516 1.833 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749659478 DWNUQASLFMPFJZ-UHFFFAOYSA-N 438.532 1.705 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1750147384 MUEVUUHBHLUGJZ-XGHQBKJUSA-N 446.552 1.414 30 10 IDEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)cs1 1751426086 YRYFKPKRNMZHIZ-CJNGLKHVSA-N 438.579 1.625 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1760096718 RRDOVPSYKRZNHW-CQSZACIVSA-N 438.923 1.905 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760184672 KQRXVSWYKHPQAH-XLIONFOSSA-N 439.541 1.870 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1 1760249686 QLIJZAKZESMCIA-HNNXBMFYSA-N 437.591 1.894 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CC2)CC1 1760271944 RWOFUTKVPXBZAR-HKBQPEDESA-N 440.573 1.141 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1760307888 XESSSUVZXUPXSG-LLVKDONJSA-N 428.312 1.640 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760449403 IPMJBRJONUMOML-HOTGVXAUSA-N 445.524 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCC2)C1 1760556800 QKURGRXXTKSYQY-UHFFFAOYSA-N 437.591 1.994 30 10 IDEE CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1765686074 BVKQQTHYMWUBQC-UHFFFAOYSA-N 439.520 1.962 30 10 IDEE CCOCc1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766334493 RCMFXBQRUPSTLG-IGCQWYOMSA-N 430.509 1.348 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCO[C@@H](C)C1 1766714365 ARMBSIPCALNYHL-INIZCTEOSA-N 432.550 1.761 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CCN2C1=O 1766929051 VREDAEFDBGPKKE-SFHVURJKSA-N 437.504 1.452 30 10 IDEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N(C)C 1767923995 BXBCRSSMHLOSIC-UHFFFAOYSA-N 439.564 1.877 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1770145387 KXEGJDDCHYENST-QFIPXVFZSA-N 440.504 1.901 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCSCCCO)c1 1771531946 JQOUEUIGPISOIS-IBGZPJMESA-N 428.562 1.453 30 10 IDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1861263045 GUVMUTABIRXHFR-KRWDZBQOSA-N 430.892 1.216 30 10 IDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OC)cc2)C1=O 1863672110 BJPDQCIRHYNDIO-UHFFFAOYSA-N 441.509 1.441 30 10 IDEE C=CCN(CC=C)C(=O)CNC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 1868768409 DSNZYJZYLBTRBY-HNNXBMFYSA-N 448.570 1.902 30 10 IDEE COc1ccc(CCNC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)cc1 1870101100 NVDLZEPAWVXQHE-UHFFFAOYSA-N 443.467 1.275 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1=O 1874337217 GPMJHIMOHKSZFX-WCRSTISQSA-N 447.477 1.076 30 10 IDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875228060 XQAQCEASEJVLDC-UHFFFAOYSA-N 427.553 1.139 30 10 IDEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc(OC)c1OC 1890314129 UYNOIPVMJDWPQT-UHFFFAOYSA-N 445.560 1.584 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060621629 PNWADMDQONBIKM-CQSZACIVSA-N 434.302 1.350 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247782732 XRKYLQSQZLJYPY-INIZCTEOSA-N 433.261 1.725 30 10 IDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403409 DMSWTWBQYHFEOD-NSHDSACASA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632079 ICHXWSJTCIGNHB-WQVCFCJDSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2255651317 IFRASFXPHSAYFY-HNNXBMFYSA-N 432.330 1.809 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 2255655368 LLTCBNAOCAHPJV-CQSZACIVSA-N 434.346 1.849 30 10 IDEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255668737 DJPPBKZZPGVERL-ZFWWWQNUSA-N 432.330 1.761 30 10 IDEE Cc1c(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255833297 AOPZLMAUOSKVST-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE Cc1cccc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255872912 GPFDFLZBULJQAF-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1 2255874922 ORRDMLORPRRZJH-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CC1(C)OB(c2ccc(O)c(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2256013628 HKTWKGKJWRLGLS-UHFFFAOYSA-N 428.216 1.442 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267162481 PHQOYLYPCJMLBZ-HNNXBMFYSA-N 448.329 1.142 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188690 PNGCGAFSSLYBNQ-YPMHNXCESA-N 444.263 1.391 30 10 IDEE CCn1cc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267498887 XLYYNBHRBVTKIA-KBPBESRZSA-N 446.357 1.797 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCOC[C@H]3OCc3ccccc3)nc2)OC1(C)C 2267549215 XYOSSVXZAYOJPF-RTBURBONSA-N 439.321 1.880 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N(CCO)CC(F)F)cc2Cl)OC1(C)C 2282311867 OCCDKQNKGDDNQV-UHFFFAOYSA-N 431.719 1.949 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)c(F)c2)OC1(C)C 2282325910 LIGDNMBAJPPFKK-OAHLLOKOSA-N 427.303 1.651 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303112129 PSVJZQMPHDFPJI-HXUWFJFHSA-N 425.335 1.712 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2337199888 AODRPGDFBDBYGV-QHCPKHFHSA-N 440.353 1.086 30 10 IDEE C#CC1(N(C)C)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2370152528 ZIVBYDDVKONMQK-UHFFFAOYSA-N 431.558 1.668 30 10 IDEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)cc1 59914420 BRYFKFUVXIVKQS-UFFVCSGVSA-N 444.521 1.227 30 10 IDEE C=CC[C@H](CO)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 410074817 MYJJAFKXDBJNOB-JKSUJKDBSA-N 432.546 1.598 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 427904350 MWWIXYQGAYSVEB-UHFFFAOYSA-N 427.424 1.877 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 429296147 RAEDFYXGRILZFF-UONOGXRCSA-N 435.912 1.500 30 10 IDEE Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489014237 QZEWPNDIZKLUMX-UHFFFAOYSA-N 427.530 1.824 30 10 IDEE CN(C)C(=O)COc1ccccc1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506790791 PQLOYWQXNVJGOL-UHFFFAOYSA-N 442.541 1.532 30 10 IDEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)c1 510420483 DUPZHRXOGJPFIX-LJQANCHMSA-N 432.484 1.816 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c1 513784944 CDVNDNOKBRWJOK-JOCHJYFZSA-N 438.553 1.755 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)c1 538497659 GZIYRJUBDINXNS-QGZVFWFLSA-N 439.537 1.673 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 542421240 MYNBTWQILSTJAJ-LAQRGFTBSA-N 431.445 1.540 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CCOCC 542728814 KKTMDNKRQBECBD-UHFFFAOYSA-N 444.513 1.192 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)CC2)n1 544853383 BNEYCWZEJSSKDF-QHAWAJNXSA-N 430.512 1.942 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 549641055 GYYCHZNCIAOFFT-KBPBESRZSA-N 438.558 1.039 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCNC(=O)CC1 558453234 WHOPWHAIERBTRL-UHFFFAOYSA-N 430.534 1.242 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 572446537 ZQVRMDRLEOJGGS-XHSDSOJGSA-N 429.612 1.907 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 588935786 ZYIPYQRYFTWYNH-UHFFFAOYSA-N 446.529 1.206 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 589464836 XVYXIMBMZUYUOA-SFHVURJKSA-N 436.497 1.985 30 10 IDEE Cc1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)n([C@H]2CCS(=O)(=O)C2)n1 603650648 GAFYTXKRDRAXEU-INIZCTEOSA-N 429.506 1.172 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)CC1 604195089 GNHLKADJZPWXDI-FRIKZZABSA-N 425.577 1.811 30 10 IDEE COC(=O)Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 604443469 KBIFEZZBPXXCDL-UHFFFAOYSA-N 442.497 1.812 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 669806491 NCPHAQXHOOBESY-MSOLQXFVSA-N 433.534 1.963 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCSC 729669013 HLRCRAAJQRDHTH-UHFFFAOYSA-N 441.582 1.340 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 731839377 GUXHGOBHJKJZPA-CQSZACIVSA-N 446.978 1.633 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)CCN1C1CC1 732706120 FWTONKDGAVNNQZ-MRXNPFEDSA-N 429.908 1.713 30 10 IDEE COc1ccc(CN2C[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)cc1 734292648 DHEJNHKEFNKIPQ-QGZVFWFLSA-N 427.482 1.729 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccccc2O)cc1 737251376 VDQCVRMENFZPLD-LYBHJNIJSA-N 444.513 1.502 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 749374415 DKQMIPHDSDUTTM-GJZGRUSLSA-N 425.557 1.319 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)Cc1cccc(C#N)c1 750432531 FTEJHADTTFWYLU-AWEZNQCLSA-N 445.497 1.930 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1)C2 758757815 HLSAVNOGWSJLFF-DOADOZAASA-N 446.596 1.698 30 10 IDEE C#CCN(C(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774182668 YNSGMBASXMJICE-NRFANRHFSA-N 432.590 1.421 30 10 IDEE C#CCN(C(=O)NCCNC(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 774186371 BSBSYYYYVQXILV-OAHLLOKOSA-N 442.335 1.011 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCO1 775326521 FXJYWDGXGMPCHY-ULQDDVLXSA-N 441.347 1.899 30 10 IDEE COc1cc(C)nc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 776758709 XGJSPRGJNDCWQM-UHFFFAOYSA-N 435.462 1.774 30 10 IDEE C=CC[C@]1(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 784942333 IYGONZPBYDAZPT-BXTJHSDWSA-N 444.550 1.567 30 10 IDEE CCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(CCC)c2)c1=O 794595953 PFCOVGHPYBLERH-KRWDZBQOSA-N 428.558 1.815 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 801126938 POUJRZSXHYISMS-DOTOQJQBSA-N 439.534 1.109 30 10 IDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 802540080 OFNJNUQRZZRYML-UWJYYQICSA-N 437.548 1.452 30 10 IDEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802612261 DZEHMTKLBJARRA-DLBZAZTESA-N 436.468 1.712 30 10 IDEE CCc1c(C(=O)OCCOc2ccc(C#N)cc2OC)cnc2c1c(=O)n(C)c(=O)n2C 805514445 LFWHCAICXDQVBJ-UHFFFAOYSA-N 438.440 1.311 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811230658 VAWJCXFCELSDDE-WMLDXEAASA-N 436.534 1.598 30 10 IDEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 815414337 AAKXUNBBONPQKI-UHFFFAOYSA-N 443.884 1.549 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 919025134 KENPNJRQLVSUBW-CZUORRHYSA-N 440.522 1.244 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3nnc(C)s3)n2N)cc1 1083892605 LRTHXGMUUOBTSN-UHFFFAOYSA-N 447.506 1.115 30 10 IDEE C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1142202060 DALJCIDQLINGAK-NXHRZFHOSA-N 434.537 1.419 30 10 IDEE CC(C)c1n[nH]c(CC2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1144548273 CJCXIFGJQKVRML-OAHLLOKOSA-N 444.561 1.948 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cnc(OC)c(Br)c1C)c1cc[nH]n1 1146763684 WWMPIKWWACKXKU-UHFFFAOYSA-N 440.254 1.807 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCN(C(=O)CC#N)CC3)ccn2)CC1 1150000706 NKHWOLCPBJJZKZ-UHFFFAOYSA-N 442.520 1.337 30 10 IDEE COC(=O)[C@@H](CC(F)F)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1151143673 ASOQAMKPWJPQRW-CYBMUJFWSA-N 431.461 1.599 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)C1 1151355747 MQSDQNFNQMZOOJ-QNBXZPKWSA-N 440.566 1.313 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1154072140 CLIWUKJQCQCAQJ-GOSISDBHSA-N 434.456 1.223 30 10 IDEE CC(C)(C)OC(=O)[C@@]1(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOC1 1171805191 PZSBPSIAKLYCKB-AUSIDOKSSA-N 446.523 1.625 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)CC1 1175515090 RDVQFJJHICSVAL-UHFFFAOYSA-N 437.525 1.559 30 10 IDEE C=CCn1cc(CNC(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)nn1 1218488449 DWTTZOFORGILTI-UHFFFAOYSA-N 434.403 1.787 30 10 IDEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1269094692 PYMJDLQSIKNFPD-OALUTQOASA-N 433.468 1.237 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286392297 BGZMVXMPXPAOPA-QZTJIDSGSA-N 432.546 1.827 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCN2CCCC2)CC1 1286472463 YBPKULFWDWLWNS-UHFFFAOYSA-N 427.597 1.535 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2cc(CO)nn2)CC1 1286656897 RBFRKYAIDDEGCI-JOCHJYFZSA-N 445.568 1.895 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286783773 LBJHIGCWKHCUHR-STQMWFEESA-N 440.957 1.554 30 10 IDEE CN(C)CCNC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1293203668 LCJVNCYZNUAOHO-UHFFFAOYSA-N 446.504 1.344 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)CC1 1296907876 BEOPDKFCLJOJEE-UHFFFAOYSA-N 444.536 1.378 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC(C)CC1 1300441627 UOHHJCSXJZRJOL-UHFFFAOYSA-N 444.605 1.997 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1300537305 DELGLLLVCVOPST-OAQYLSRUSA-N 448.552 1.546 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@H](C)C1 1300622435 YTEKSTILDNEHAV-CALCHBBNSA-N 428.537 1.965 30 10 IDEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1300767601 AMMMVJIASXQMRP-IBGZPJMESA-N 427.574 1.771 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300957405 UPNYLTYQFNXZJZ-INIZCTEOSA-N 429.550 1.563 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301498251 MEFFJJDQWQOIGR-VQTJNVASSA-N 445.612 1.427 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)C1 1301556208 GIISKNHFTRFNEZ-ZWKOTPCHSA-N 445.545 1.109 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCn2cc(C)nc21 1301806585 LINASVRTEUCLQH-IRXDYDNUSA-N 426.525 1.678 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1303066490 HJPSAWJSIDWJBB-MSOLQXFVSA-N 439.582 1.752 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1306422348 WXGPGTARPJRDQY-FKQWUUPDSA-N 425.493 1.803 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)O2)[C@@H]1C 1312627652 WUOUKYIHFVEQMP-NUKHCAJLSA-N 426.517 1.931 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1316228122 AOVGFMYHCBWGSX-QGZVFWFLSA-N 425.493 1.438 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1359016588 HAZBJBQLZGKZAL-KRWDZBQOSA-N 447.536 1.484 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1359028715 BRBQNNHBIORJJQ-SFHVURJKSA-N 441.580 1.802 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cccn(CC)c2=O)CC1 1359031606 ISPYNUHFDKSREE-UHFFFAOYSA-N 432.528 1.939 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359037000 QOJMPGAQIVOLFQ-UHFFFAOYSA-N 430.516 1.421 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1359059645 VGJCMPDJSODPEO-UHFFFAOYSA-N 430.559 1.118 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1359132245 RJFXIUKUWXXGBH-IBGZPJMESA-N 432.569 1.371 30 10 IDEE C#CCN(C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C1CCN(C)CC1 1439605264 TUGXKOTWKFDAPL-CYBMUJFWSA-N 432.318 1.990 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1443516443 POPRMECVYIWWBJ-HNNXBMFYSA-N 437.990 1.648 30 10 IDEE C[C@H](Sc1nc(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1)C(N)=O 1448832730 BBNSAOWGWQUCRE-LRDDRELGSA-N 443.554 1.440 30 10 IDEE CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456620165 XRORRZSZGRYVMT-HZUJVAHNSA-N 431.514 1.087 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC#C[C@H]1CCCCO1 1457035946 YWFSYVSLWBWYEG-MSOLQXFVSA-N 440.949 1.562 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C1CSC1 1460408730 MOKDEOZZWJHMJX-UHFFFAOYSA-N 447.626 1.449 30 10 IDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)c1 1465196585 AOJATMXPWAEJKU-DNVCBOLYSA-N 426.448 1.797 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1465278442 LAPLEQYXYUPQLZ-FPOVZHCZSA-N 433.574 1.101 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cccc21 1472192199 ULUIEVOVCHJLDB-LHSJRXKWSA-N 431.514 1.995 30 10 IDEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)c1C 1473718757 OXCAQPAFQHDJCF-HXUWFJFHSA-N 432.590 1.745 30 10 IDEE C#CC1(O)CCN(C(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1478680338 BPOOZULMOFTBSO-QGZVFWFLSA-N 433.574 1.785 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1495541468 WNRBABZRFMKFBE-DCKJRJMFSA-N 437.504 1.981 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1N1CCOCC1 1499681839 UPIRXVAEPJDNEN-UYAOXDASSA-N 437.548 1.452 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(-c2ccccc2)c1 1504998459 JFFYAHFXRGPRCG-YLJYHZDGSA-N 437.504 1.965 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1505029277 KPSAZJVUPBCGMS-JJCDCTGGSA-N 429.546 1.970 30 10 IDEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1505261328 QVRYFHMODNHDLQ-INIZCTEOSA-N 426.550 1.576 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1505322041 HGZMPKUFBFTTOL-AEFFLSMTSA-N 446.533 1.227 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1 1507515482 HRDDILPCVJRTQL-CABCVRRESA-N 435.550 1.606 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1507516740 MMXRHALTLLNLLQ-GJZGRUSLSA-N 447.565 1.488 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1507537183 GVLSEJBHIYPNPD-JYJNAYRXSA-N 439.582 1.799 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1507714537 QMMMNIAUPMZHJF-LJQANCHMSA-N 436.516 1.729 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccccc2)CC1 1507731108 AQKMANAKPJXFHO-UXHICEINSA-N 443.573 1.323 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@H]2C1 1507810488 ZRAJXNONNHGSMP-RLLQIKCJSA-N 446.596 1.699 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1507984463 XKMHKGQJVHVZIO-APWZRJJASA-N 429.587 1.420 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)C1 1508121879 BBDLSOHSHYQJNJ-MRXNPFEDSA-N 447.486 1.787 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1508382829 WQEVJFJKYFYWIP-HNNXBMFYSA-N 447.565 1.460 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1511974457 DMQOCFIGMKWBFE-IAGOWNOFSA-N 437.548 1.878 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1515098367 BVDNAMXLIKEAAW-LJQANCHMSA-N 437.548 1.501 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1539013054 HVWPEVIIEOZORI-GUYCJALGSA-N 439.488 1.395 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539075792 HMVGCCJNIALGAI-QHCPKHFHSA-N 435.532 1.882 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1539221534 PJZKWSGSUQSDFD-ZWKOTPCHSA-N 432.550 1.352 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1539401004 PHCOAMKNORZWME-WIYYLYMNSA-N 434.537 1.559 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(CC)noc2C)CC1 1539476844 FTMNFURTCXDJOD-UHFFFAOYSA-N 434.504 1.608 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccsc2)CC1 1539482268 SBTPWUZMFJCPQQ-KRWDZBQOSA-N 447.586 1.256 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539637213 OISWHBLPVZDGJY-PGRDOPGGSA-N 430.597 1.858 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCO[C@H]2CCOC2)CCOC1 1541725171 DXPPIZRSDBFVLX-DZFGPLHGSA-N 437.516 1.956 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)nc1C 1542967611 FQEBORMJENPYBO-HNNXBMFYSA-N 428.565 1.595 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1545534284 CFMBIGRCNAXZCZ-HXUWFJFHSA-N 437.500 1.977 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1548337249 RWVGMKDBQXSLGZ-ZDUSSCGKSA-N 437.526 1.074 30 10 IDEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555465819 KUAUSZKNGMXORM-UHFFFAOYSA-N 426.525 1.436 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)c1 1557550043 ACXDAWFNQIDECS-LJQANCHMSA-N 427.526 1.611 30 10 IDEE CC1(N2CCOCC2)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1564690174 PHZNZFKSLRPUID-FQEVSTJZSA-N 425.533 1.555 30 10 IDEE CC1(C)O[C@@H]2O[C@@H](COS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1 1565534979 UKCMSQOXSADUBO-OTJKEOIZSA-N 445.446 1.697 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CO[C@H](CCC(=O)OC(C)(C)C)C3)CC2)c1C#N 1585101539 ZXPUNWZFYLFVLV-IAGOWNOFSA-N 431.537 1.776 30 10 IDEE N#Cc1cn(CCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c(=O)nc1O 1585292244 FUDCIPSGELXTDV-UHFFFAOYSA-N 433.403 1.366 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2-c2ccn(C)n2)c1 1586343320 GTKSLIJCDJJFMN-UHFFFAOYSA-N 434.481 1.923 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1588053977 JKCUPBHOXPWSKJ-PMACEKPBSA-N 444.557 1.687 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(O)CC(OCC)C2)CC1 1588913152 AETYGELXVHJXFJ-UHFFFAOYSA-N 438.532 1.236 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1588975029 DGHQBGKBHKFBLA-LSDHHAIUSA-N 425.518 1.007 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593878542 KKVWHIJGXKBFMI-INIZCTEOSA-N 436.944 1.543 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1594802865 JTJIVSBEDRUIDT-UHFFFAOYSA-N 441.536 1.403 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1595522268 AVMLWKBLDCDBNS-WMZOPIPTSA-N 441.536 1.010 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1(C)C 1619534296 PTOIVWMOPCBPTM-INIZCTEOSA-N 448.474 1.971 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 1622605824 RVNALDRMYXBKCN-BQYQJAHWSA-N 436.530 1.608 30 10 IDEE C#CCN(C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1627711473 RHYLGKAMMFZPEG-MRXNPFEDSA-N 435.506 1.001 30 10 IDEE C#CC[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OC 1629617811 ZKHGVMZNXVBDQE-PZJWPPBQSA-N 433.464 1.181 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cc(CC#N)ccn3)CS(=O)(=O)[C@H]2C1 1631054780 IZCLSUOEZNHHCM-OAGGEKHMSA-N 434.518 1.756 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1)c1cc[nH]n1 1632292009 JEEQUZSTUVQBPN-GOSISDBHSA-N 443.504 1.019 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)c1C#N 1633055682 HKPKBFFLRYRBDV-KRWDZBQOSA-N 429.525 1.836 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 1634792124 TVVJUGBHHOHYCH-IRXDYDNUSA-N 427.567 1.471 30 10 IDEE C#CCN(CC(=O)N1CCN(c2nc(C(=O)OCC)cs2)CC1)C(=O)OC(C)(C)C 1637655330 VKOJODLUCUPBAJ-UHFFFAOYSA-N 436.534 1.839 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Oc2ccccc2CC)c2ccccc2)CC1 1644281617 IJNHOVKBXKZFKS-QFIPXVFZSA-N 441.553 1.981 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1645781338 HMOONPPWBWHWJR-UHFFFAOYSA-N 431.558 1.504 30 10 IDEE N#CCCN1CCN(C(=O)CNC(=O)c2ccccc2I)CC1 1648963111 LPHLBUWYXCMYMS-UHFFFAOYSA-N 426.258 1.079 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1650977336 HDXZFVXKOOVQSS-FQEVSTJZSA-N 439.560 1.964 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 1658101580 WWSLPVBIWYIDIH-UHFFFAOYSA-N 428.436 1.946 30 10 IDEE C#C[C@H](NC(=O)Nc1cnn(CC(=O)NCCOC)c1)c1ccc(Br)cc1 1659677885 PUBQTWRMRCKFSE-INIZCTEOSA-N 434.294 1.904 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 1683542870 HUDISUHPCPSNRM-INIZCTEOSA-N 444.536 1.707 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1689980852 YHFMNYBDRZYGET-CABCVRRESA-N 439.563 1.134 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(C)c1 1689999417 AKHYGZLRRRZTJZ-ZWKOTPCHSA-N 429.546 1.737 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1690523843 QOVAGHHRHDDXRT-UHFFFAOYSA-N 445.549 1.236 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1690723509 UHWQDTMIVDXSPB-UHFFFAOYSA-N 447.565 1.101 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690744345 NCODNVMLXDXCMA-HOTGVXAUSA-N 429.612 1.561 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1690786239 IBRBPCSMPDJMKL-SFHVURJKSA-N 434.508 1.198 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1694966779 DBBZJKXJIGBBOD-GOSISDBHSA-N 427.505 1.885 30 10 IDEE CN(CCC1CCOCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696791668 AITNYIRVNVPNRJ-JLUOLNIDSA-N 444.536 1.561 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCS(C)(=O)=O 1705487418 XXMPDIKUMALGNS-HNNXBMFYSA-N 434.518 1.235 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1705560167 DYJRXBMTWVGATA-UTKZUKDTSA-N 427.574 1.660 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCS(=O)(=O)C1 1705575746 VXMDCPGMKKSBRQ-CYBMUJFWSA-N 436.335 1.543 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)CC1 1705634585 CLWOARZEGKVZLI-JOCHJYFZSA-N 427.553 1.279 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCSC2)CC1 1705642605 ADJORNLWEPLPEF-JOCHJYFZSA-N 427.574 1.789 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1705876225 RQQABRCBLFYMPK-OAHLLOKOSA-N 425.555 1.883 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705906051 QPUYBNSGOUBQLX-FQEVSTJZSA-N 429.613 1.529 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705907810 YHPLZSDWKRNMLL-QGZVFWFLSA-N 427.505 1.591 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705943625 GQZKDNVFKFKYCT-QGZVFWFLSA-N 442.593 1.882 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1706632700 GBVKXOFNKYSADS-QGZVFWFLSA-N 430.534 1.355 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC1CCCC1 1706871200 NQVWDMWTBUYCJV-KSSFIOAISA-N 428.534 1.680 30 10 IDEE Cc1nc(CCn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)n[nH]1 1707770722 CQMHFGPCOPQDOB-OAHLLOKOSA-N 435.540 1.523 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1708257977 SXJVGBOMHFNQEX-ITZAQCPESA-N 426.452 1.836 30 10 IDEE CC[C@@H]1CCCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1709251245 CEPSMEXLUZXOPN-QKLQHJQFSA-N 438.573 1.887 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)CC1 1710851384 OLOYQBFNNAUAGS-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1710854756 QUHRRFGBFCUQCS-UHFFFAOYSA-N 446.533 1.317 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1712648539 WJMQREDXXFYYJV-MZRZTIOWSA-N 433.534 1.700 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1722276428 HVDFSPPEFXYZGJ-VGOFRKELSA-N 446.573 1.981 30 10 IDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC)[C@H]1CCS(=O)(=O)C1 1722359469 SZSZQIKGVVCQET-KRWDZBQOSA-N 449.964 1.898 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC(C)C 1722405479 CXHROSMJGMLASH-UHFFFAOYSA-N 443.371 1.823 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 1722425609 FYVHVVXLZFQKNM-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cnnn2C)CC1 1722449161 NREPOQFPELUGSS-UHFFFAOYSA-N 432.532 1.320 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1722671948 GRFKLGAHPIHEAE-INIZCTEOSA-N 425.555 1.095 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722696332 JEOHOCFXHJTNPW-MRXNPFEDSA-N 426.496 1.978 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OC2CCOCC2)c1 1729077330 HHZDIRSJDJHWDT-GOSISDBHSA-N 428.493 1.544 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC 1740532077 XOPHEPHHNUCCGX-CQSZACIVSA-N 437.953 1.754 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1740549059 DGHSJMPUDFKHBN-IEBWSBKVSA-N 442.589 1.990 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1740639835 FZFPGMQDBZFHMJ-ROUUACIJSA-N 426.546 1.336 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC(C)CC1 1740640671 SQUIMWQBWVJNOQ-FQEVSTJZSA-N 431.606 1.765 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1740671575 KCPYNLWHOCEKSA-QGZVFWFLSA-N 433.603 1.760 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740759234 BEHZYZOHYKCCTI-MLYOOKFZSA-N 444.580 1.951 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740779504 KABJTBYRZZPUTD-NVXWUHKLSA-N 434.518 1.285 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(C)(C)OC[C@@H]1C 1740958513 CGTOEMHEORXIFS-AWEZNQCLSA-N 437.504 1.900 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2COCCO2)C1 1740975312 UUIQYMILUXKDEG-ROUUACIJSA-N 448.545 1.545 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1741069815 DHLDQPRJOYEOPB-UHFFFAOYSA-N 434.508 1.272 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(F)(F)Br 1741675695 IUVQFICJTQQNNK-GFCCVEGCSA-N 446.300 1.581 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1743905795 DPUWFWJIPFPIFB-QGZVFWFLSA-N 439.564 1.624 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1747837686 CJQDGBVDORLJSX-FQEVSTJZSA-N 436.520 1.996 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1748830252 RYERHDPWXMUZBB-VWLOTQADSA-N 449.555 1.994 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCCC2(C)C)CC1 1749009652 UUUNYPNWHPHELP-HSZRJFAPSA-N 439.564 1.586 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749261865 BJWVTVIVIBZQSN-KSSFIOAISA-N 432.960 1.420 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CC(N)=O)CC1 1749659529 GIJLQUSZHFVJRR-UHFFFAOYSA-N 442.520 1.356 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1751099233 XNUZISGKQVCAIH-NRVIRDBHSA-N 447.584 1.854 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@H]1c1ccccc1 1751230928 FKTAOZFNHWZRTB-UBDQQSCGSA-N 430.534 1.421 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)no1 1760102788 QWUIHQSZHUYYPH-OAHLLOKOSA-N 428.518 1.998 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)OC(C)(C)C 1760104919 JIGXCQWJULJBBH-HNNXBMFYSA-N 437.508 1.903 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1760170635 KBLXIQKGVBIXLU-UHFFFAOYSA-N 445.483 1.767 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1760184435 XFFDZYGVRXAYRY-YJBOKZPZSA-N 429.546 1.566 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760184509 XWHVISCEWJBBKU-KRWDZBQOSA-N 435.594 1.651 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760185818 DYCRUYCUZBIJKI-RBUKOAKNSA-N 433.553 1.909 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1760189638 KJGNKOOZQSLDPS-PXNSSMCTSA-N 437.635 1.295 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1760198829 JTLHEVXINUSVKG-TZIWHRDSSA-N 428.500 1.975 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(=O)Nc1c(C)cccc1C 1760251147 SQOXZRYCMQSQGA-UHFFFAOYSA-N 438.532 1.742 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCC(=O)NC)CC1 1760266077 PGIVAHGZNZEGHU-UHFFFAOYSA-N 448.571 1.850 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760864795 AANIWRXRXDAKSK-XMSQKQJNSA-N 425.537 1.782 30 10 IDEE Cc1ccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1F 1761707548 HDWYLDRCERCSQL-INIZCTEOSA-N 443.483 1.023 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)nn1C 1765012553 BVQNWGMDEMENEO-LJQANCHMSA-N 434.504 1.534 30 10 IDEE CCOC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1 1765697855 DLKJWLBUJVSSAG-OAHLLOKOSA-N 432.481 1.794 30 10 IDEE CCCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1766072918 CPQYIMUDDMTAAF-MPGHIAIKSA-N 427.550 1.062 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1766682760 UEEFIQUAEMVNGK-HOTGVXAUSA-N 431.474 1.366 30 10 IDEE CCN(CCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1766874023 GRGYDNOGPQONCD-UHFFFAOYSA-N 448.597 1.551 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1768288100 ZMDMNKRHJDNLLX-UHFFFAOYSA-N 431.566 1.723 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1769290426 AVVDMSKJWQTKCR-CRAIPNDOSA-N 430.484 1.770 30 10 IDEE COCCN(C)CCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769776415 YKRMZUNBVBYMGQ-UHFFFAOYSA-N 448.531 1.843 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCO)C1 1770727669 JKHVWIVLCBSJDA-IBGZPJMESA-N 435.529 1.843 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1771261984 OSNLRUPUTRPWSE-BOCKYXSRSA-N 441.532 1.846 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1771332233 RPBYWFADAUUIPV-UFOSLELVSA-N 443.895 1.745 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(-c4ccccn4)n3CCOCCCO)CC2)nc1 1771533732 WZUBRTBBZSWMTH-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC(=O)N2)CCO1 1771537567 QLHAAUCCOXYEJY-OLZOCXBDSA-N 449.284 1.854 30 10 IDEE C=CCN(C(=O)c1nnn(-c2ccc3c(c2)OCO3)c1-c1ccncc1)[C@@H]1CCN(C)C1=O 1850862917 OHHXDOBIKMLHHE-QGZVFWFLSA-N 446.467 1.917 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)[C@@H]1C 1854735550 LKLAEPOSCRLESD-IRXDYDNUSA-N 437.537 1.862 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3nccc4ccccc34)C2)CC1 1857042443 YIKVSDDIRHJWGQ-KRWDZBQOSA-N 426.498 1.789 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)CC 1857346367 AOHBFVOYKGJDHJ-KDOFPFPSSA-N 433.530 1.556 30 10 IDEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)c(O)c1)c1cccc(O)c1 1862591853 PNCPYTRPAAUHDP-HXUWFJFHSA-N 440.452 1.714 30 10 IDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869930213 UMLYCLVZWCUERC-SFHVURJKSA-N 447.582 1.868 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CCN(C)CC1 1870397783 SXRFBXZEBGWFJY-UHFFFAOYSA-N 441.488 1.707 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC(C)C)cn1CCOCCO 1870581468 NRRAWXXEGOLRJW-UHFFFAOYSA-N 436.549 1.999 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870732759 VYDULEQGNFZQMW-UHFFFAOYSA-N 442.491 1.888 30 10 IDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N(CCO)CCCC)n1 1871656463 AOEVYEULAYXPDT-UHFFFAOYSA-N 440.596 1.986 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(C(=O)O)cc1 1874435095 MRKMPMRBGLXHFT-ODCIPOBUSA-N 433.490 1.786 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 1889423303 QYJMFPQJTIGLJR-HSZRJFAPSA-N 427.545 1.475 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(OC)cc3OC)CC2)CC1 1890307966 KHGVLQDIXCYWEP-UHFFFAOYSA-N 443.588 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)[C@H]21 1964924003 MQWSEDAHPMPKJC-MTQWCTHYSA-N 426.517 1.857 30 10 IDEE C=CCC1(NC(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2022808098 WBFWJUHDVCXFBD-QLFBSQMISA-N 441.525 1.009 30 10 IDEE C=CCC1(NS(=O)(=O)c2c(Br)nnn2C)CN(C(=O)OC(C)(C)C)C1 2054340492 BCDCYSYQBGMCDT-UHFFFAOYSA-N 436.332 1.422 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ncc(Br)cc1C#N 2118200199 BOJQGPSAQKCZJH-QGZVFWFLSA-N 427.299 1.808 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523724 JRCNOZYKTAIANZ-QAPCUYQASA-N 448.369 1.919 30 10 IDEE C#CCn1ncc(N[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]3CCO[C@H]32)c(Br)c1=O 2162348594 MCAVQELBQHSDKI-CJYSPXJISA-N 439.310 1.732 30 10 IDEE CC(C)(C)OC(=O)NC1CN(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243678509 KHFMWGQUDUJQDQ-UHFFFAOYSA-N 425.320 1.000 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)C1 2247553094 SRYMQPCAOTZQAI-JXORXQGFSA-N 437.537 1.733 30 10 IDEE C=C(CS(=O)(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247963164 UPCYBIFJWLDUAL-LJQANCHMSA-N 446.375 1.465 30 10 IDEE Cc1c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630701 NTJCGGVWBQIXFG-ZIAGYGMSSA-N 434.346 1.813 30 10 IDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255659325 QPIVJUQCMNSMDB-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255807425 UCFJHCSNIHYNMG-AWEZNQCLSA-N 438.330 1.879 30 10 IDEE Cn1cc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255821385 CMWNFYBUTZRSNZ-UHFFFAOYSA-N 434.346 1.754 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 2255875898 GNQXOECDIFGPTJ-ZDUSSCGKSA-N 435.334 1.147 30 10 IDEE Cn1ncc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2256923989 KZWPAFZCQUFFQN-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2257591015 UIHWLLRDGXPMRE-CYBMUJFWSA-N 438.334 1.057 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 2267113763 YTLCTGARQLXYTK-UHFFFAOYSA-N 447.345 1.197 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267159155 HKVAZRXFVMTZBD-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCCC23OCCO3)OC1(C)C 2267466865 IJQINKHXOXSDSJ-AWEZNQCLSA-N 429.369 1.762 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267501077 SCFPWPZXPLTLSK-PKOBYXMFSA-N 441.337 1.823 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267596292 MTFUTBSGIBXXQQ-PBHICJAKSA-N 447.341 1.650 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2267872590 JSUYVZZNWDABQX-IJEWVQPXSA-N 444.341 1.904 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@H](C3OCCO3)C2)OC1(C)C 2282839638 GXXSTCZXEWTUIC-ZDUSSCGKSA-N 444.384 1.357 30 10 IDEE CC#CCN(CC(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1)C(=O)OC(C)(C)C 2300579192 XCEVJRFZUSXQLR-OAQYLSRUSA-N 439.509 1.827 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319668800 JTJWURJNXDAQMZ-JRMKUOIOSA-N 440.346 1.412 30 10 IDEE COC(=O)c1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1 2330784323 PQZVECYHTAHRIZ-UHFFFAOYSA-N 447.517 1.874 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)n1 2343642172 LJBJMSKMFGFNOW-ZSEKCTLFSA-N 447.345 1.386 30 10 IDEE O=C(CSc1nnc(N/N=C/c2cc(Br)ccc2O)[nH]1)Nc1nnc[nH]1 21080004 QRPZYDFAUYMNGC-AYSLTRBKSA-N 438.271 1.568 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1-c1cccc(C)c1 25938254 BWGDUMXCKRVWHS-HNNXBMFYSA-N 430.534 1.905 30 10 IDEE C=CCNC(=O)CSc1nnc(Cc2c(C)[nH]c(=O)n(Cc3ccccc3)c2=O)o1 101263710 RUIQVKBXKYPGEY-UHFFFAOYSA-N 427.486 1.261 30 10 IDEE C=CCNC(=O)C[C@@H]1C(=O)N(Cc2ccc(OC)cc2OC)[C@H](C)[C@@]12CCN(C)C2=O 169787933 HVNHPPGOIPMPJB-YLEKAMJDSA-N 429.517 1.592 30 10 IDEE COc1cc(C=NNc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCC(=O)O 254837278 WIKKPVCGWDBGLO-UHFFFAOYSA-N 441.492 1.990 30 10 IDEE CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(N)=O)n(-c3cc(C)ccc3C)c2=O)cc1 254868480 VJLAVLDKSLTZAW-UHFFFAOYSA-N 432.505 1.463 30 10 IDEE CCCCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447415658 ALRLKAXFVWMQLI-UHFFFAOYSA-N 445.491 1.564 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2CCN(c3nccn(C)c3=O)CC2)ccc1Cl 467170085 OODWRNXSNXJKLM-UHFFFAOYSA-N 428.924 1.811 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 474673160 BRCPJWIFMWUHRO-LJQANCHMSA-N 442.516 1.660 30 10 IDEE CN(C)S(=O)(=O)C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(F)(F)F 480207640 UHKNHEQBFFRTNT-LBPRGKRZSA-N 431.400 1.083 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)c(F)c1 481069576 JYTPTLQRMPJXIM-UHFFFAOYSA-N 436.553 1.841 30 10 IDEE COc1ccc([C@@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)N2CCOCC2)cc1OC 489084832 YDBNKXMKNYHBTR-LJQANCHMSA-N 446.529 1.631 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)c1 489514995 NJABPAQEZGOGBV-LJQANCHMSA-N 430.486 1.705 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CSC[C@@H]3C(=O)N3CCCC3)C2=O)cc1 504947069 CBBRNBAKFPQHDK-DLBZAZTESA-N 441.513 1.287 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(CCC#N)Cc2ccccn2)CC1 505206730 DDNPDRIDYJMDET-UHFFFAOYSA-N 430.534 1.765 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)CC2)n1 545470471 LBNJNBGLUUWMBE-UHFFFAOYSA-N 437.525 1.690 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)CC2)n1 545491194 CYYPINRKDOPZMV-SSEXGKCCSA-N 426.498 1.571 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 609556515 QXDQTLFAONEYHB-UHFFFAOYSA-N 431.449 1.335 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 619510185 YCJNLDGMWAZFEE-HXUWFJFHSA-N 445.589 1.424 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1F 619695157 NFYQWVUUGSSMHD-OAHLLOKOSA-N 445.516 1.264 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(Cl)nc2)c1=O 727163064 JGQJVEWQWGGOIT-UHFFFAOYSA-N 425.901 1.553 30 10 IDEE C#CCN(CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 731666691 PCASYXQAQVSNRV-OAHLLOKOSA-N 430.473 1.078 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(C(=O)N2CCSCC2)c1 732428933 AKWNCBDHRSMHSW-ISLYRVAYSA-N 429.502 1.524 30 10 IDEE COc1cc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OCC(F)(F)F 732443720 CUIMJAFNLRDIAP-MSUUIHNZSA-N 442.394 1.962 30 10 IDEE COc1cc(C#N)ccc1OCCN(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 740875048 AEZZJXUMDQJQRB-UHFFFAOYSA-N 432.521 1.957 30 10 IDEE CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741340547 FXZNXIOLGFBOGV-FMQUCBEESA-N 448.863 1.197 30 10 IDEE CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 749645159 JGAVPJKLDCNLKB-SFHVURJKSA-N 433.534 1.366 30 10 IDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 756648700 YNTXMCFFZGIAIH-OLZOCXBDSA-N 447.351 1.573 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C[C@@H]1CCCO1 758555089 OSMKRMXYCZUGAH-AWEZNQCLSA-N 446.598 1.698 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cnc1Cl 760378751 UDKWHQAEZRUCSV-OAHLLOKOSA-N 446.960 1.473 30 10 IDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1F 769649929 AQRANWUSLIECAF-AWEZNQCLSA-N 430.527 1.338 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@H]1CCCO1 772897424 HAKOGOQPOQBACA-GOSISDBHSA-N 446.532 1.442 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2cccc(N3CCOCC3)n2)C1 776179031 FGOAQBUZVXGVPF-WBVHZDCISA-N 430.509 1.476 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)n1 788819367 IIEDMPRBLCJCNX-OAHLLOKOSA-N 442.545 1.566 30 10 IDEE C=CC[C@]1(C(=O)O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 791717065 OZVMHGREGGXWOI-OYHNWAKOSA-N 437.537 1.988 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 794355947 BDXCDSORSSUAEB-FXBHHXAOSA-N 447.289 1.365 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CCOC)c1=O 794582166 SQLXVVYPMHEFPI-MRXNPFEDSA-N 444.528 1.756 30 10 IDEE CCn1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2cnn(CC)c2)cn1 795183861 MJNZFBBOWJLROM-QGZVFWFLSA-N 446.581 1.319 30 10 IDEE COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)NCC(=O)NCC#N 807553577 SZYFNTHTUNLLJO-BBRMVZONSA-N 441.410 1.229 30 10 IDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccsc2)n1 807938751 HNSPNOAAPWMCIW-ZDUSSCGKSA-N 428.503 1.827 30 10 IDEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NC(=O)Cc2cccc(OCC#N)c2)CC1 810717531 XIGVFPXEZPBLJW-UHFFFAOYSA-N 437.518 1.977 30 10 IDEE Cc1ccc(O[C@@H]2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 858064086 KPCBVNUFMGBLRF-MRXNPFEDSA-N 428.514 1.889 30 10 IDEE COC(=O)Nc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915386769 WXMOOPBMVZDJHM-UHFFFAOYSA-N 427.417 1.539 30 10 IDEE N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 915997301 JXEBBPUVNZPWSQ-UHFFFAOYSA-N 442.526 1.843 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)c1 1132647132 FTQGXYOGIDLIKT-NRFANRHFSA-N 438.553 1.602 30 10 IDEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)cn1 1134685148 OAXPQMULLHWLJH-OAHLLOKOSA-N 432.221 1.871 30 10 IDEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)CCn1cc(C#N)c(O)nc1=O 1138073956 GIXAPBSRXKXTIN-UHFFFAOYSA-N 441.488 1.764 30 10 IDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1139111142 AIBUZUZFYGVTED-SFHVURJKSA-N 441.440 1.251 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c(=O)nc1O 1142159945 GEHCPYXVHMDOMA-CYBMUJFWSA-N 446.305 1.616 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)CC1 1152967553 LGESXNJCBRQENS-UHFFFAOYSA-N 449.536 1.831 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccno2)CC1 1153001740 NZQODAWWMLUDIN-SFHVURJKSA-N 445.545 1.472 30 10 IDEE Cc1cccc(-c2nnc(S)n2CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1178757438 QDVDLLCNOJGCMD-KXBFYZLASA-N 431.543 1.329 30 10 IDEE C#CCN(C(=O)NC[C@H]1CC(C(N)=O)=NO1)[C@H]1CCOc2ccc(Br)cc21 1248642720 IOAGLXRXCQHCIJ-DOMZBBRYSA-N 435.278 1.548 30 10 IDEE C#CCN(C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 1264995937 XWKYCZZLSOLVOU-RBBKRZOGSA-N 436.533 1.903 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)C1=O 1278449077 KOEFVVBXAKJEPO-QKKBWIMNSA-N 434.493 1.117 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1 1286365816 KCIPXHAMDSOSQF-UHFFFAOYSA-N 427.534 1.241 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1286419943 IHGGGNCKSPHPBY-SFHVURJKSA-N 435.528 1.799 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2scnc2C)CC1 1286490701 PKGLGPYRGBHZHE-INIZCTEOSA-N 441.561 1.203 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2COCCO2)CC1 1286491579 YGWQBVGNBJDNBG-HXUWFJFHSA-N 441.507 1.389 30 10 IDEE C=C(Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1286619046 MKSMQXRZMREYDX-UHFFFAOYSA-N 438.532 1.455 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1286647314 DGEQKTHIHPNOTH-UHFFFAOYSA-N 444.561 1.513 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286666304 BBUKFUMMWSFJGO-HUUCEWRRSA-N 439.586 1.047 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1286831993 GLPBIACMSSBQIA-OAHLLOKOSA-N 427.596 1.204 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1CCCCO1 1288117225 PLZRNBXQMZGTPR-QGZVFWFLSA-N 439.520 1.910 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1288981603 FYPZUHBVJUDTDI-RXVVDRJESA-N 443.577 1.675 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOCC(F)F)n1 1290647226 VHZMALXZESZEQI-SFHVURJKSA-N 448.522 1.988 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1298094450 BTNPMUXJPOKEBL-LEWJYISDSA-N 440.548 1.810 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1299124419 RUTFHWNSGZPPJZ-UHFFFAOYSA-N 426.521 1.854 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC2(O)CC2)c1 1300337349 ZQJJQBRDVBDLQJ-UHFFFAOYSA-N 433.516 1.721 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1300420036 ZNZICVSLWNYYGV-OAQYLSRUSA-N 449.603 1.723 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1300764656 ZPLJCRDFICQSLP-CYBMUJFWSA-N 437.538 1.069 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOCC1 1300891463 LCANGZNYYLKUSZ-UNMCSNQZSA-N 443.596 1.889 30 10 IDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301435886 YVQRQPPOPXFRLR-UHFFFAOYSA-N 442.520 1.723 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301478095 HWGPGPJBSUXRSA-UHFFFAOYSA-N 431.585 1.228 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)(=O)CC1 1301515423 UYAUEWZEVYMDEJ-UHFFFAOYSA-N 433.534 1.011 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCN(C(C)C)CC2)C1 1301536255 SWDQPBOMSSUBAI-GOSISDBHSA-N 434.585 1.433 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1305266285 JWACQCZTILHJHW-JHBCHSCWSA-N 443.552 1.498 30 10 IDEE Cn1cc(N2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2)cn1 1309267799 FYEQFDDTFSTNKL-UHFFFAOYSA-N 428.287 1.704 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(C#N)CCSCC1 1347923201 AAOZUIGEBFTGBM-UHFFFAOYSA-N 425.532 1.692 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358874998 HPGDMBRXNNFOBX-SFYKDHMMSA-N 446.596 1.331 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC 1358954819 XRMWFZKIXRXJQU-HNNXBMFYSA-N 440.570 1.359 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1358955968 XSFMHEAHCACMQL-INIZCTEOSA-N 437.591 1.060 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2csc(CC)n2)CC1 1359028396 QXLUIKTXICHLCL-UHFFFAOYSA-N 427.578 1.531 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2SC)CC1 1359035357 RNAIEKBTYREIQK-QGZVFWFLSA-N 428.537 1.894 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359303299 JJXDZFPJLUPQHB-WZONZLPQSA-N 425.533 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Cn2cncn2)CC1 1359336622 WNNHWENZYXISEL-QGZVFWFLSA-N 435.554 1.239 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1359441442 LSAAMYQLYJBFEI-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE Cc1nnc2n1CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)[C@H]2C 1440289699 CNFBDBGWYXRVFN-AWEZNQCLSA-N 428.518 1.462 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1(c2cccc(C#N)c2)CCOCC1)c1cc[nH]n1 1453582077 LGVJJOXXAAOHFM-UHFFFAOYSA-N 425.445 1.387 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1453798611 CBDRYJRBUPIOET-AWEZNQCLSA-N 430.534 1.377 30 10 IDEE C#CC[C@@H](COC)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1454351930 AWHYSWMGXKJEST-AOMKIAJQSA-N 449.507 1.924 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2CCC)CC1 1455115418 OWWHQNLMCCDQHI-UHFFFAOYSA-N 429.546 1.359 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCOC12CCOCC2 1456952625 GFKLVFYSBPEISK-SFHVURJKSA-N 435.546 1.740 30 10 IDEE N#Cc1c(F)cc(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1F 1464200787 XOKITKJJLLWOJF-UHFFFAOYSA-N 427.367 1.969 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)s1 1465842979 LILRWFFGGLBSJS-UHFFFAOYSA-N 449.554 1.445 30 10 IDEE NS(=O)(=O)CCCCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1470330510 HOITZMDQNQGYRT-OCAPTIKFSA-N 447.348 1.868 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)c(=O)nc1O 1470994835 HNZMFOAMPVMOKR-AEGPPILISA-N 430.262 1.221 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C[C@H]1C2 1471254458 IGCFORCCCBXPBY-NKGVLGIYSA-N 438.550 1.354 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc21 1472370682 KVEGPINKIQAYHZ-UHFFFAOYSA-N 437.456 1.815 30 10 IDEE N#Cc1cccc(NC(=O)CN2CCN(c3ncc(I)cn3)CC2)c1 1473697072 VWOBSFCGCBNZMI-UHFFFAOYSA-N 448.268 1.714 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)sc(C)c1Br 1474858107 APEZJCIUUDBDIA-NSHDSACASA-N 426.379 1.938 30 10 IDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1492619801 KEHAKDYHPQSBFJ-UHFFFAOYSA-N 430.534 1.777 30 10 IDEE CC[C@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1496067889 XLMZGPJJVXDCHE-RJCBAWPRSA-N 443.552 1.913 30 10 IDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1499152138 DXHYPDUWHNSMAO-UHFFFAOYSA-N 434.479 1.720 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1503841219 NWGXASOTENROCM-QRVBRYPASA-N 444.561 1.465 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CC)c1 1507520979 ITQGXTCHPIRCIX-MRXNPFEDSA-N 441.561 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1507673718 ZRFLLKIYVUZODX-UHFFFAOYSA-N 439.479 1.734 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507749384 ZKCZMVCFZUJLAK-UHFFFAOYSA-N 448.618 1.957 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507755894 WZOVFEOVDSLYDG-MOPGFXCFSA-N 448.637 1.923 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507844632 MLMUPCKFIHWOAJ-GOSISDBHSA-N 447.561 1.508 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507956864 HOFFCBSTPSIVGK-QGZVFWFLSA-N 431.541 1.147 30 10 IDEE C=CCN(c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1507993621 HATCWCQCAWYAJG-UHFFFAOYSA-N 434.591 1.874 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1508077970 RTFFJCOYBHXZGX-CYBMUJFWSA-N 447.337 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508135931 CNEYYILNZWQGNP-HXUWFJFHSA-N 449.508 1.716 30 10 IDEE CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1509431942 TVFQVXOUXJCEQS-UFVMTTLYSA-N 443.552 1.086 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC1CCCC1 1509683149 HEROSRFFCKLWJV-GOSISDBHSA-N 429.569 1.942 30 10 IDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1510014247 NFYFTORVWAHSBZ-QGZVFWFLSA-N 437.552 1.057 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1515489810 LRUVDNSPDVAJJM-UHFFFAOYSA-N 437.548 1.332 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)CCOC1 1516180448 CNNHOJDWFMFYQX-FCHUYYIVSA-N 442.495 1.714 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1517450280 FGRBGHLBGDEJPQ-MRXNPFEDSA-N 427.578 1.684 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1524723911 GHWJODSHCGOBSQ-RXSFTSLZSA-N 443.891 1.401 30 10 IDEE C[C@H](C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1538861504 GWYRXUXSFPJVEZ-VQIMIIECSA-N 442.516 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1538973223 NPTLRLPCJODUDE-DAYGRLMNSA-N 436.557 1.788 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1538974960 VSWYJHLJKRPICH-KBPBESRZSA-N 436.607 1.924 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1539153804 JKZABTCCVVFPCD-UHFFFAOYSA-N 431.566 1.388 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539210384 DMTWDIQMOWLLMW-GOSISDBHSA-N 439.545 1.562 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cn2cccn2)cc1 1539391552 DOYDYQYIHVNCQE-UHFFFAOYSA-N 447.543 1.893 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1539463118 UDSDCAQUXNMMFC-GOSISDBHSA-N 439.568 1.071 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(C)(C)N2CCOCC2)CC1 1539466861 IKGSBSZCVOFTSJ-GOSISDBHSA-N 430.597 1.868 30 10 IDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1539669016 ITPLPLXNUQKFPA-UHFFFAOYSA-N 433.582 1.899 30 10 IDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539723146 YQBKPPSROPNWSH-GOSISDBHSA-N 441.598 1.625 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1540028994 VZBMSMMJHGOKGO-INIZCTEOSA-N 427.505 1.976 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1540871664 QJOXZZNARLJIJE-KRWDZBQOSA-N 429.546 1.086 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1540901277 YPLSVPZYUFKHCA-INIZCTEOSA-N 432.550 1.086 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)[C@@H](C)C1=O 1541557521 FBSZXCKGWFMGKD-INIZCTEOSA-N 433.520 1.687 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNC(=O)C(C)C 1546533129 YUKVDGATYDSEKK-MRXNPFEDSA-N 425.541 1.380 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1554372094 FEPDFCDEAPLEKE-UHFFFAOYSA-N 432.488 1.647 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)CCOC1 1554714196 BPPLGKSQQAEGEW-HXUWFJFHSA-N 433.534 1.493 30 10 IDEE COc1ccccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)C 1555054386 RSVMTONCQRFVPZ-UHFFFAOYSA-N 446.515 1.635 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C[C@@H](C)O1 1555384985 AGZNVZYFTSKUKZ-UEXGIBASSA-N 440.548 1.778 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1555492643 WXQKUVLWLSNHBF-UHFFFAOYSA-N 446.515 1.674 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1555674150 RRNXKEFGWYEDMZ-ZOCZFRKYSA-N 431.493 1.899 30 10 IDEE C#CCN(CC(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)C(=O)OC(C)(C)C 1556729704 UIGDFBLKDWSVMN-UHFFFAOYSA-N 431.493 1.779 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C1CC1 1558265201 DWXIGSGIMJEYDC-JKSUJKDBSA-N 433.530 1.551 30 10 IDEE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@]2(F)CCS(=O)(=O)C2)C1)C(F)(F)F 1584854542 SXVJPYAGZLBWPX-FYBVGQRMSA-N 428.326 1.114 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1587562818 UDBSTRVZSPCGTR-KGLIPLIRSA-N 428.559 1.213 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1587638082 BHPNMPUYUQHURP-MAUKXSAKSA-N 433.534 1.576 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1587773764 UGCYKLXVOWGNOF-SFHVURJKSA-N 430.578 1.833 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588040968 SZXPIOCHXPKVKW-PMACEKPBSA-N 437.525 1.789 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CC2)CC1 1594182117 SWHNFJZYFMTPII-UHFFFAOYSA-N 430.534 1.905 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1594963847 YIDWLXCPBFJKJO-BTYIYWSLSA-N 434.541 1.687 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1595506739 LEBQBUKGQXSJKL-OAQYLSRUSA-N 447.923 1.905 30 10 IDEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1611549104 RDQJUCRTBFNBOG-IBGZPJMESA-N 441.469 1.994 30 10 IDEE Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612595744 BZHJZJHBIPBVRU-SUQMRRJOSA-N 427.431 1.186 30 10 IDEE CO[C@](C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)C1CC1 1618922094 GABBQYMOSLBLHZ-URLQWDBASA-N 440.570 1.164 30 10 IDEE C=CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1622711558 VEQUWRPYRTXGBH-UHFFFAOYSA-N 438.550 1.630 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnn(Cc2ccccc2)c1Br 1627265298 MZCAKPYOWHZZGK-MNDPQUGUSA-N 444.289 1.950 30 10 IDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1628366656 KLXWOKDZBSCGNB-INIZCTEOSA-N 433.486 1.549 30 10 IDEE COCCOCCc1ncc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[nH]1 1630351549 UHUOYVLNBBZRIL-CLCOLTQESA-N 449.533 1.680 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)s1 1632189664 JFVJWYNTFAZYNK-USXIJHARSA-N 427.592 1.465 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(S(=O)(=O)CC)C1 1640660969 GGGTTWRDIUHXHY-UHFFFAOYSA-N 431.308 1.744 30 10 IDEE CN(CC(=O)N1CCC(c2ccc(C#N)cn2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1640995915 VQVWRBWVVIGECJ-UHFFFAOYSA-N 443.485 1.888 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1641931791 ZOODAZKWJVDGQL-HNNXBMFYSA-N 428.514 1.632 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](O)CC4(CCOCC4)C3)CC2)cc1 1643363473 MMIJQSAITMVGNK-IBGZPJMESA-N 447.557 1.349 30 10 IDEE COCCOCCN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1643651076 LUXSGIZGXLRLPS-UHFFFAOYSA-N 427.467 1.454 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)Nc3c[nH]cc(I)c3=O)cc2)c1N 1644854671 SUHXLBUEEWIQFJ-UHFFFAOYSA-N 446.208 1.871 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)OC)[nH]n1 1665507622 WODYAONVJXZENF-UHFFFAOYSA-N 426.495 1.220 30 10 IDEE COC[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(Br)c1 1683576313 QBIJOVVMNVZBDT-OAHLLOKOSA-N 448.277 1.537 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)O1 1686056021 QBLLOLWOWIOYFT-MDMSPXHWSA-N 438.525 1.350 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1687386786 SADYBIAUIIPDSX-IBGZPJMESA-N 443.529 1.737 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1689853437 SPMODBBIUGRWDS-QRFRQXIXSA-N 443.573 1.799 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1690001957 WAHXSLSANULHOJ-NTKDMRAZSA-N 437.544 1.956 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CS(C)(=O)=O)CC1 1690066733 MREMAQKBUUIDKO-UHFFFAOYSA-N 440.533 1.205 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690099617 FOIGYMPKCBGDGA-UHFFFAOYSA-N 447.543 1.708 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC(=O)NCC(F)(F)F 1690104921 MVRGJPOUSDOAOF-UHFFFAOYSA-N 427.402 1.773 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1690110544 QBQFZSUJSSZGSB-UHFFFAOYSA-N 447.547 1.313 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)N(C)C)CC1 1690150272 BCXDGQQANZGKLT-SFHVURJKSA-N 448.575 1.433 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1690204580 NWYYFRJJXGPIPF-RDTXWAMCSA-N 432.326 1.881 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1690326765 CXKFGWNNTZWXKC-AWEZNQCLSA-N 433.962 1.199 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)C)CC1 1690662678 CKVQHSROWYEVQE-UHFFFAOYSA-N 441.492 1.460 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1690678271 QFVKOONYCIDBIW-HNNXBMFYSA-N 436.557 1.608 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)C1 1690686432 NYVBWACWFSLHND-GOEBONIOSA-N 449.533 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ncc(Cl)n1C 1690724177 JNTSEOUKNOETRV-CYBMUJFWSA-N 428.946 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CCOC(C)C)CC2)nnc1C(C)(C)C 1690732055 URUATSIOMLFVRM-UHFFFAOYSA-N 427.615 1.723 30 10 IDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1691364815 VVBBYJSVTSQMEY-JOCHJYFZSA-N 437.504 1.402 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOCC2(C)C)CCOC1 1696045056 DWXWHPPPFDCDTF-JOCHJYFZSA-N 432.569 1.781 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CC2)C1=O 1696846535 AOBWCADCEQXEHK-UHFFFAOYSA-N 437.504 1.498 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C(=O)N3CCCC3)n1CCCOC(F)F)C2 1698485512 GJZRFSWVMDBJIN-UHFFFAOYSA-N 447.446 1.678 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1705492824 XQPVMMXEYWROJC-SXLOBPIMSA-N 439.564 1.962 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCn2cncn2)c1 1705505319 LXSUOEYCZXOGNN-UHFFFAOYSA-N 428.460 1.083 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC(N)=O)CC1 1705530883 YEHHBZSXUVZEIQ-UHFFFAOYSA-N 443.577 1.743 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1705551370 MNNPMRYNQKZIQF-OAHLLOKOSA-N 429.612 1.602 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1705564116 LHRGVUIZSSRNJK-QGZVFWFLSA-N 426.477 1.549 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705581188 VEHROMMBCOWOEP-RBUKOAKNSA-N 436.516 1.277 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCOC2)n1 1705631536 IHFBQVAYUKMSAG-RTBURBONSA-N 428.537 1.691 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCCOC2)n1 1705631651 LPEKIMKHGZCLPZ-SFHVURJKSA-N 436.520 1.644 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705664393 NUIMGYNNVGNRLJ-SFHVURJKSA-N 446.621 1.756 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1706749307 SFMXTCOHDJMZIC-UONOGXRCSA-N 430.538 1.255 30 10 IDEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1(C)C 1711281137 HYDJSEIGFNRDPP-UHFFFAOYSA-N 436.564 1.169 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1722382605 IQBXEFVPEWVBLQ-FQEVSTJZSA-N 448.575 1.246 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCOCC1 1722411314 DCWSUTNEZYVYOA-LJQANCHMSA-N 438.580 1.632 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCCC1 1722423780 OGYSCYRBYOTCDA-UHFFFAOYSA-N 449.563 1.883 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](COC)C2)cc1 1722702973 SCAPRXGYEGHPAR-IBGZPJMESA-N 429.521 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2CCOC[C@H]2C1 1722725162 HPVZYQWXONRPKL-GOSISDBHSA-N 431.562 1.375 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722725294 IKEJFTBLAYZVNQ-IAGOWNOFSA-N 432.502 1.968 30 10 IDEE CC[C@H](C)N(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1727084013 BLUPLKQWDMQJGD-QIJZPMMNSA-N 445.612 1.909 30 10 IDEE CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1729688067 CFUUYAOBBIZMMB-VHEBQXMUSA-N 443.552 1.455 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740538023 JQDKOXMJDHQWEO-AUSIDOKSSA-N 432.613 1.803 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740576435 XGKZEQYKOIOKTE-OALUTQOASA-N 435.594 1.980 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1740616448 BFUQGEIWNAGWIS-RTWAWAEBSA-N 443.573 1.114 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C(C)C 1740684015 INLKUYBDQLUVOV-HSZRJFAPSA-N 438.532 1.685 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(C)(C)O)CC1 1740703252 LEPLQTQFOLNZAY-QHCPKHFHSA-N 447.580 1.446 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740842476 BAIGDWIFFIKYCG-INIZCTEOSA-N 443.552 1.589 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740946057 LWLJFLOOOYQUFV-UHFFFAOYSA-N 425.518 1.740 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccco1 1740960397 QTCQOCVMJQCCJY-UHFFFAOYSA-N 436.520 1.984 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(O)cc2)C1 1740972938 OYPGGSGUNSRXLT-YJBOKZPZSA-N 435.550 1.618 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)C1 1740979546 KHWSPRRLPGZJKW-WMLDXEAASA-N 429.525 1.363 30 10 IDEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1741149725 ZSYJFOQMIXVPCY-RHSMWYFYSA-N 439.520 1.873 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1741476571 NADBUIQSLDIEFY-UHFFFAOYSA-N 448.535 1.223 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1741801703 FDVJCJJHDYWYPX-XHSDSOJGSA-N 447.540 1.603 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1745343135 RASUZBHHDPYAKC-ZJYNUGOYSA-N 425.493 1.805 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1748666006 YRZXXVORJNGIPH-QGZVFWFLSA-N 449.559 1.761 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1748740601 RGTINEIKMDACTK-INIZCTEOSA-N 445.545 1.853 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1748812744 ZQZCREATPSJYOG-RDJZCZTQSA-N 434.591 1.449 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748815349 PHXOZWROCMFIFE-DCXXXQMHSA-N 436.578 1.350 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748819914 UPCKIDWAJFSJFO-AZUAARDMSA-N 444.605 1.621 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748820902 JDQVPFKPDSXIKL-IBGZPJMESA-N 448.593 1.582 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1748824625 FPJCOXQTJXWDRB-UHFFFAOYSA-N 436.491 1.085 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@H]1C 1748912298 BSZCYHLBWCEYSK-HRAATJIYSA-N 446.577 1.546 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1748929946 SYOFZRJXAWADDO-MRXNPFEDSA-N 448.568 1.818 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1748972075 BTDQHMIDESAORK-HTAPYJJXSA-N 425.537 1.478 30 10 IDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749098485 BIHZJXSMRDQQGK-AWEZNQCLSA-N 448.325 1.665 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749652601 QDXPOISXWPDWOU-FIKGOQFSSA-N 437.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749680833 SGHPOMTZGTXSDL-HSZRJFAPSA-N 440.548 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749740140 QVKFXPYZUYRXGJ-AWEZNQCLSA-N 439.504 1.488 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc(CO)nn2)CCO1 1750388139 KSEUUWGLULKXIB-HNNXBMFYSA-N 444.446 1.050 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1750547024 OMAYTGIALLBPOU-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCOCCN(C)C)CC2)c1C#N 1751827629 LJJUKMRWLYQZNU-UHFFFAOYSA-N 443.600 1.394 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1noc(CC)n1 1760102382 JFOCQUFUIAQZPT-CQSZACIVSA-N 428.518 1.995 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760181360 SVFCFYGWVAALBU-AZUAARDMSA-N 431.562 1.525 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1760181792 BQHKRTSAMIVCEK-SJLPKXTDSA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760188502 AZBMZQXCGTYAOC-INIZCTEOSA-N 443.558 1.099 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(F)cn1 1760201915 MXCGFEKFTOKYJG-UHFFFAOYSA-N 427.443 1.847 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1760208717 IDYDIHSRKDNELJ-UHFFFAOYSA-N 448.527 1.503 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1760211365 GJVNBJPPPVLTAR-RXVVDRJESA-N 434.562 1.216 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1760234239 UNTXFMOAXHUJCU-INIZCTEOSA-N 431.518 1.866 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1760244552 YXNZHSGWQFUZRR-VJBMBRPKSA-N 448.564 1.743 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(CC)noc2C)CC1 1760257402 VWGUDSJYQMVFLS-HSZRJFAPSA-N 442.564 1.981 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCN(CC)CC1 1760297009 DDVFEFYJZHZRQS-HSZRJFAPSA-N 427.597 1.420 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760352636 UKZDMINJJKRZPP-SJORKVTESA-N 430.509 1.758 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760373714 AOVXTEXKGQNCCW-MSOLQXFVSA-N 430.940 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)NC)CC1 1760555993 RYGKRZZZCDNTBU-QGZVFWFLSA-N 439.582 1.473 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC[C@H](CO)O1 1760934253 YHKWQTPJDZBRIZ-IXDOHACOSA-N 426.525 1.318 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1766742399 UYRQEOZNWYULGI-UGDMGKLASA-N 442.589 1.886 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1768495349 CSCISQBPBQWLAE-MGPUTAFESA-N 448.524 1.677 30 10 IDEE COC[C@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1769286024 UGLIXPVPVIUXQM-GOSISDBHSA-N 436.495 1.842 30 10 IDEE CSC[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1770521492 MWVGZPHHXLASHP-OHTQGHCMSA-N 447.565 1.275 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1770685039 BQABNFHGPKGEMW-UHFFFAOYSA-N 449.519 1.217 30 10 IDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1771114753 XXDICQGFEZBLPM-GOSISDBHSA-N 426.521 1.831 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1771536820 CGRRYBZUGZBSLC-GOSISDBHSA-N 438.513 1.684 30 10 IDEE COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C)C(=O)N3CCO[C@@H](C#N)C3)cc2)cc1 1851083246 XJDYWNLCLNYBBF-BEFAXECRSA-N 429.498 1.780 30 10 IDEE Cc1ccc(-n2c(C)nn([C@H](C)C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)c2=O)cc1 1851713664 LGUZEXGSNGSBKI-BEFAXECRSA-N 434.456 1.842 30 10 IDEE COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc(CC#N)cn3)CC2)cc1F 1852047400 BOMCAXQMQGTZIY-UHFFFAOYSA-N 435.463 1.834 30 10 IDEE O=C([C@@H]1CC=CC[C@H]1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1CCOCC1 1853026704 DLGSWGIAPSGKON-CHWSQXEVSA-N 437.440 1.298 30 10 IDEE N#Cc1cccc(C(=O)N2CCC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1 1860614523 AGRNMKOYMVMRBG-UHFFFAOYSA-N 440.525 1.417 30 10 IDEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1OC 1863160531 TWJDXDQZNDWWLC-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110816 JVBLBRNOZBMGAK-UHFFFAOYSA-N 431.368 1.341 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1891951968 XZROAJMUQWYFPG-GOEBONIOSA-N 435.440 1.500 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H](O)C1 2197483102 TZXLRPIJZKJNAJ-KSSFIOAISA-N 440.294 1.992 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CO1 2243372986 SOVRFONGABSCDE-NSHDSACASA-N 425.316 1.723 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244284804 WYEQJCHCROEGGC-AWEZNQCLSA-N 431.530 1.210 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248444767 DCKBEGBNEKWBCH-ZDUSSCGKSA-N 441.359 1.334 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255599500 BVAHPLYRNMIOGQ-UHFFFAOYSA-N 432.326 1.697 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255704681 LFYQNBIJDSZFMQ-KBPBESRZSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255842222 OIOLTKLIFQLPDX-HNNXBMFYSA-N 432.330 1.905 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267134448 PTHKFMIAINAICA-RRFJBIMHSA-N 446.357 1.847 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3COCCN3Cc3ccccc3)nc2)OC1(C)C 2267541997 LITBZNOJQTVPJR-IBGZPJMESA-N 438.337 1.407 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2267585153 QVTCYLGMAOYKJR-QGZVFWFLSA-N 447.341 1.435 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2268652886 JGIMGQJUXRIHHV-GOSISDBHSA-N 446.353 1.756 30 10 IDEE C=CCOC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286050529 BPZFWUWMAZRRQU-GOSISDBHSA-N 440.518 1.451 30 10 IDEE COc1ccc(C(C)=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)COC(C)C)cc1 2297709153 BTRUFUWAVZSJBQ-HNNXBMFYSA-N 444.492 1.466 30 10 IDEE COc1ccc(CNC(=O)CSc2n[nH]c(=NN=CC=Cc3ccccc3)n2N)cc1 2313701645 ONFBKGYHTSCCOI-UHFFFAOYSA-N 437.529 1.942 30 10 IDEE C[C@@H](O)CN(CCN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)C(=O)OC(C)(C)C 2322311208 QCCMQJJOKBPPSR-CQSZACIVSA-N 439.337 1.972 30 10 IDEE O=c1c(Br)c(NN=Cc2ccccc2F)cnn1[C@H]1CCS(=O)(=O)C1 2322659670 MMAXTJJYFNXJBK-NSHDSACASA-N 429.271 1.951 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(=O)O)cc1 2329034844 VJALAKPZDBERFH-HNNXBMFYSA-N 445.501 1.848 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2334263933 USSKIERMQGIQRB-FMKPAKJESA-N 446.357 1.705 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1 2339945424 XARCAIQWISYBMX-HNNXBMFYSA-N 449.357 1.959 30 10 IDEE C/C(=N\Nc1nnc(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)[nH]1)c1ccc(F)cc1 105381347 ZJOWYJLCIHLQFB-GZIVZEMBSA-N 429.441 1.205 30 10 IDEE Cc1c(NN=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 252590330 ARORINKRLJYKNT-UHFFFAOYSA-N 432.440 1.531 30 10 IDEE COC(=O)[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 428565893 JOEBTQJTLOVIDM-RBZFPXEDSA-N 433.461 1.569 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC1CCN(c2ccccc2)CC1 460618701 MRYLHZMYTMETEB-UHFFFAOYSA-N 429.484 2.171 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@H]1CCCO1 470447681 CWISXWUHQIODFI-CQSZACIVSA-N 447.919 1.687 30 10 IDEE Cc1nn(C)c(N2CCN(Cc3coc(-c4ccc(S(C)(=O)=O)cc4)n3)CC2)c1C#N 472149563 CPLVHRRPTCAMQM-UHFFFAOYSA-N 440.529 1.981 30 10 IDEE COc1ccc(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 481106366 AAZQIPMAQRYOIV-HNNXBMFYSA-N 431.514 1.991 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 483516526 BHNCCJBWJIIFPN-OXQOHEQNSA-N 442.541 1.913 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 488630794 WHWCJQMNLCCGCJ-NVXWUHKLSA-N 426.473 1.953 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1F 489080912 KGOGLWJHTWPPNE-UHFFFAOYSA-N 445.519 1.258 30 10 IDEE N#Cc1ccsc1C(=O)NCCC(=O)N1CCN(C(=O)c2sccc2C#N)CC1 497603113 WRTATPZJSKZVTI-UHFFFAOYSA-N 427.511 1.657 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 508911980 JLBZANUPPLSAPO-INIZCTEOSA-N 435.554 1.347 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 513785802 TYHWLPJILQSESJ-UHFFFAOYSA-N 431.489 1.694 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)cc2C1=O 523356963 RSKLOHFICLCULE-UHFFFAOYSA-N 446.507 1.543 30 10 IDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@@H]1CCS(=O)(=O)C1 533294352 VGYNPYQXWSLSFE-DLBZAZTESA-N 448.589 1.723 30 10 IDEE C=CCN(C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 540553604 FZEQVSRCQGVCNO-CQSZACIVSA-N 431.511 1.573 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2ccccc2)C1 548951601 XLJXINPKRPUFJN-NQIIRXRSSA-N 447.561 1.549 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 549693574 RNONAAZIUCKQTD-GDBMZVCRSA-N 438.554 1.865 30 10 IDEE C[C@](C#N)(NC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@H]21)C1CC1 550091574 VYYBMZYYOSJXSR-FAYOUJPWSA-N 440.592 1.532 30 10 IDEE C=CCN(C(=O)c1n[nH]c2ccc(I)cc12)[C@H]1CCS(=O)(=O)C1 610290958 BEUPNJOZRWSEJH-NSHDSACASA-N 445.282 1.983 30 10 IDEE C#CCN(C(=O)CCNC(=O)Nc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 729335058 ZBHAOWNLFMRORM-OAHLLOKOSA-N 442.335 1.610 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732698359 YAQUMNQOULDQRA-VSGPLIKPSA-N 430.534 1.703 30 10 IDEE CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 735198182 DBUUOXJSSCBBFT-SSEXGKCCSA-N 426.494 1.696 30 10 IDEE COc1ccc(CNS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)cc1C#N 746681086 VJWZSHSNUMHPQM-UHFFFAOYSA-N 441.506 1.446 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc3c(c2)CCO3)c1=O 758052504 QYXMXEJYGMFUJM-UHFFFAOYSA-N 442.496 1.872 30 10 IDEE N#CC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CCC1 760589064 WAKDEMVZLFIOQS-UHFFFAOYSA-N 428.308 1.646 30 10 IDEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760775291 WJYNKHHUQGKHOR-HXUWFJFHSA-N 432.484 1.800 30 10 IDEE O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764749304 DBIQZKUTRGFBHT-GCXDCGAKSA-N 439.255 1.863 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1 765543800 KBDHGUKBYGMJDD-SFHVURJKSA-N 428.562 1.928 30 10 IDEE N#Cc1c2c(cn(CN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c1=O)CCC2 766612324 VEKMUFUPUTVRFI-UHFFFAOYSA-N 443.485 1.081 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)CCN1C1CC1 768154249 KJIAMCPPDIZVIY-SFHVURJKSA-N 448.483 1.236 30 10 IDEE C#CCOc1ccccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 773474721 KPBCVILZGWXABK-UHFFFAOYSA-N 439.493 1.240 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 777813950 UGWKUEPWIOWNPM-FQEVSTJZSA-N 425.577 1.777 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(-n4ccnc4)cs3)nc2)CC1 783812977 WHHNTVWSYGPLIK-UHFFFAOYSA-N 431.547 1.711 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)ccc1F 787692493 MDSUNXFGNOAZLT-PHPVRDBTSA-N 432.517 1.529 30 10 IDEE COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 790356817 QWDSYOXYXNHUAG-UHFFFAOYSA-N 436.537 1.860 30 10 IDEE CCn1ncnc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 794429042 QIOHCDOJAKMYEA-KRWDZBQOSA-N 443.577 1.806 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)=NO1 799002672 WCJNLCFHWSRJGA-SJORKVTESA-N 441.488 1.445 30 10 IDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)c1 803643351 YADBWOXWAQTVEU-HXUWFJFHSA-N 430.530 1.850 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 812179418 NMDJIXKVQNKPRK-HZPDHXFCSA-N 434.541 1.830 30 10 IDEE COC(=O)[C@@H](OC(=O)c1cnn(C)c1I)c1ccc(C#N)cc1 815515124 RYSKLCAZNZTXIX-LBPRGKRZSA-N 425.182 1.967 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCN(C)S(C)(=O)=O)C1=O 915111127 JFIPXAKBGHTWFO-AWEZNQCLSA-N 430.527 1.175 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(OC)c1OC 916197286 PPSOSXSKNUZYAJ-HNNXBMFYSA-N 427.482 1.141 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCSCCO)C(=O)[C@]12C 1075949173 WRBPIYKXPAKWQO-DAXPHYLKSA-N 447.509 1.884 30 10 IDEE C[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1sc2c(c1C#N)CCC2 1115826106 HLKDSBGSBKLDQV-NSHDSACASA-N 425.532 1.650 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1116573339 GBQKNIFSIFQOTM-OXQOHEQNSA-N 438.546 1.954 30 10 IDEE N#Cc1cc(NC(=O)c2cn(CCO)nc2C2CCOCC2)ccc1N1CCC(O)CC1 1118742807 UJZYVFSBSHXUEW-UHFFFAOYSA-N 439.516 1.854 30 10 IDEE N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1127972813 ASYNHENDJLXWKV-OAHLLOKOSA-N 442.335 1.587 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC(=O)NCC#N)c1ccc(Br)cc1 1128801245 HQMZOGBRQCHFHJ-AWEZNQCLSA-N 425.283 1.771 30 10 IDEE CN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 1134057052 ZHTDDAXFUBRYRW-AZINGDEXSA-N 439.896 1.395 30 10 IDEE CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134429051 MIDBTYDDDNNQNW-TWSMVNEUSA-N 429.542 1.383 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(N2CCNC2=O)cc1)c1cc[nH]n1 1142884293 FUHOCANZNDIHHE-ZDUSSCGKSA-N 428.449 1.101 30 10 IDEE N#Cc1nccc(N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)n1 1162536227 CSXKBSFWEDHMCN-UHFFFAOYSA-N 436.335 1.707 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 1175515063 QGKYMAXRUXXDKE-UHFFFAOYSA-N 448.976 1.902 30 10 IDEE N#Cc1cncc(CNC(=O)c2ccc(I)cc2-n2cnnn2)c1 1178378396 WGHUFUIZPCFNOZ-UHFFFAOYSA-N 431.197 1.464 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)s1 1179510222 TVZISCIOILXJMW-HNNXBMFYSA-N 432.589 1.181 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3ccsc3C#N)CC2)s1 1230651150 PVVRFCUTQAQSPV-UHFFFAOYSA-N 439.588 1.800 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1286423685 MPZXMHWYGCIKSP-INIZCTEOSA-N 434.456 1.125 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286493880 HGPSCTNTPMAAAL-HNNXBMFYSA-N 427.596 1.186 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1scnc1C 1286496844 WUMZUAIIXAHHEF-CYBMUJFWSA-N 428.609 1.656 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286560492 FKBVYFVKCYFFML-RXVVDRJESA-N 441.580 1.475 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1286726695 HPBUUXDWYHLFAV-JCYILVPMSA-N 427.571 1.438 30 10 IDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1288409581 XZYNISITUFVUOP-HXUWFJFHSA-N 437.548 1.642 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1288524327 BTQYWLVRXSNBTP-KGLIPLIRSA-N 436.563 1.410 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291985896 HCTHMOZJNLTRLL-HTXNQAPBSA-N 429.525 1.712 30 10 IDEE N#C[C@@]1(C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CCCOC1 1292937128 KNBPNKHMKUQXIB-NRFANRHFSA-N 428.514 1.778 30 10 IDEE C=CC[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C(=O)OCC 1296236572 MKRJDTVTXMZKOV-LVQVYYBASA-N 444.550 1.281 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1300411131 QVGPFLMEAYKUMN-OAHLLOKOSA-N 449.499 1.803 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1300489566 PFERLWOOKUVSPT-IBGZPJMESA-N 439.545 1.333 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1300641841 LAJSSTSSAUMRKP-GASCZTMLSA-N 440.570 1.058 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1300684919 CPAKEHBFWDMNRX-JTAQYXEDSA-N 431.581 1.889 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 1300703568 KZFPAWVVWMENFK-UHFFFAOYSA-N 433.491 1.797 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC[C@@H]1C 1300811077 PVKCKPAZJXCAOC-MAUKXSAKSA-N 432.550 1.617 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300989443 OMRAKYBKMIDKGK-DLBZAZTESA-N 432.525 1.238 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301438280 BIILPBMYRNZZIJ-YADHBBJMSA-N 440.504 1.635 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1301593303 LQFAMHMOXPHHBD-MJGOQNOKSA-N 437.610 1.869 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1303489812 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KLYWIWYDKRNQOK-INIZCTEOSA-N 440.483 1.768 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1 1595658971 OURRTWAIFOPWLA-ZWKOTPCHSA-N 438.532 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1595806059 ZXNDFGJOUJJDIB-UHFFFAOYSA-N 433.582 1.753 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CCO1 1596641046 BPSFHZPWQQQBIC-FQEVSTJZSA-N 434.504 1.445 30 10 IDEE CC(C)N1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1608052430 DNPFMWLRBFKINY-QFIPXVFZSA-N 443.596 1.879 30 10 IDEE Cc1nc(=NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)n(-c2ccc(C#N)cc2)[nH]1 1610924896 HOVFZRZCNYLWCN-SOLBZPMBSA-N 425.518 1.534 30 10 IDEE CCOC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1616052561 YJRHLWYQDCVRHH-QGZVFWFLSA-N 438.536 1.638 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCn2ccnc2C1 1619913422 CEEYOSGTRHCIMH-QGZVFWFLSA-N 426.525 1.226 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N 1620040007 PYUKNZPAVBIZJT-INIZCTEOSA-N 427.509 1.578 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1F 1620305349 XXGOJZNBQBXQJX-KYJSFNMBSA-N 432.525 1.892 30 10 IDEE CC1CCN(Cc2csc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)CC1 1620635725 XCKBYBOACTWPOK-HNAYVOBHSA-N 437.591 1.184 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)c1 1623895382 JDUMIRCKJHDRFT-UHFFFAOYSA-N 426.560 1.466 30 10 IDEE C=CCC[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C)C(=O)OCC 1624303823 NLZZEISXQSCGHH-GZBLMMOJSA-N 430.423 1.986 30 10 IDEE CCOC(=O)[C@H]1CCCN(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1625332339 MTERALQSBLPZRM-KRWDZBQOSA-N 438.532 1.650 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1630204184 KZCRBKDYRXFHGG-AWEZNQCLSA-N 433.468 1.868 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1632250171 PYZDQWJVCRTMNT-NOVUIFNWSA-N 440.610 1.827 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC 1641567752 NSVIQXRMLZICTR-MELADBBJSA-N 432.901 1.976 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 1643023844 SRKJXFKAEDHCTR-DLBZAZTESA-N 439.534 1.251 30 10 IDEE CN1C(=O)C(=O)N(CC(=O)Nc2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)C1=O 1643839749 UWUAMWSFZYMXPU-UHFFFAOYSA-N 437.261 1.498 30 10 IDEE C=C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1646304346 BPMSFXDYUVMNOB-HXUWFJFHSA-N 429.542 1.470 30 10 IDEE COC(=O)[C@H](Cc1ccccc1)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1646455072 DMDLEKAATQBPPC-OALUTQOASA-N 426.542 1.831 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1 1650846259 PCGSQLFZEAPYSZ-UHFFFAOYSA-N 435.509 1.522 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)NCCOc2cccc(C(F)(F)F)c2)c(=O)n1C1CC1 1652152164 KGAIDYWNKZMPLA-UHFFFAOYSA-N 436.390 1.739 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H]1C(=O)OC 1653675313 GSTZGMKRYYNPFO-DMYULDSISA-N 449.504 1.194 30 10 IDEE C=CCC1(O)CCN([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 1654838776 ZUODQVDMCLTVLV-HNNXBMFYSA-N 425.551 1.676 30 10 IDEE N#Cc1ccc(C2(NCCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CCOCC2)cc1 1659750816 LXUFIGLWNOEOBC-UHFFFAOYSA-N 439.516 1.830 30 10 IDEE C#C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)c1ccccc1 1678669319 KWEGMRVXUXXTAB-HXUWFJFHSA-N 426.542 1.796 30 10 IDEE C=CCN(C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)[C@@H](C)COC 1678691755 KGTKOSUUTQHYCV-NSHDSACASA-N 426.319 1.144 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Nc2cc(CC#N)ccn2)CC1 1679668041 CHOIZJYTMXNZNE-UHFFFAOYSA-N 428.518 1.405 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)C2=O)cc1 1682228026 YAKHEQVFUKZASB-PKTZIBPZSA-N 447.539 1.725 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1690080161 ITOOJRNDCHKRHN-QGZVFWFLSA-N 426.546 1.801 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1690104761 IALGFFIUYDAVSV-UHFFFAOYSA-N 426.565 1.585 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](COC)OC)CC1 1690131934 AYWKZNPUAIWKSK-NRFANRHFSA-N 427.549 1.891 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1694352633 CVMXCWNUFKDKQN-SJLPKXTDSA-N 431.541 1.184 30 10 IDEE CCCNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1695428299 ATPBCMRBERMACR-OAHLLOKOSA-N 436.520 1.847 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1705489373 OGFXNTIYEILTIA-QGZVFWFLSA-N 427.578 1.958 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705502216 DNVFRNMHNFWTOM-ROUUACIJSA-N 431.562 1.905 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1705559913 GWSAKDLLPMLNPX-HNNXBMFYSA-N 433.534 1.112 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1705563998 JDQRKTCDOCQIQA-SFHVURJKSA-N 432.594 1.642 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570051 JXPVVNFFWJFVAW-LJQANCHMSA-N 443.573 1.282 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1705589968 XWXHQCNIANXXOX-HNNXBMFYSA-N 429.502 1.128 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN(C)CC(F)(F)F)CC1 1705640975 LYBGHCCPTGCJNU-UHFFFAOYSA-N 435.498 1.903 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705641649 NYIHFTAMQMYDAV-NRFANRHFSA-N 441.601 1.786 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccsc2)CC1 1705641696 PGRKBCGXYZTTOY-NRFANRHFSA-N 428.562 1.125 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705763523 XGAIFFVULDJZGA-GJZGRUSLSA-N 431.584 1.012 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1)C1CC1 1705854958 RWGQVBGJRMUMTD-OAHLLOKOSA-N 438.579 1.465 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705936535 SNOCSJLPORXNCZ-NRFANRHFSA-N 439.626 1.769 30 10 IDEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)N1CCOCC1 1706192098 DTUSIURKRGMPTI-UHFFFAOYSA-N 437.548 1.629 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNc1ccccn1 1706880147 PHKUVEIYJVZYLQ-UZLBHIALSA-N 446.581 1.916 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1710329592 XCFSDROXVDMMLB-SFHVURJKSA-N 429.500 1.059 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)N(C)C 1712541615 BXUCFMUKGPVSML-QAPCUYQASA-N 428.559 1.024 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCOC3)n1CCSCCCO)C2 1712879088 PVMJTVMXNNXYLP-OAHLLOKOSA-N 444.561 1.823 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1722295733 LLJHNJAIEPOCOL-IEBWSBKVSA-N 429.546 1.782 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N1CCOCC1 1722300241 BRTLJRILBBAHOC-ZWKOTPCHSA-N 442.589 1.993 30 10 IDEE C#CCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722339587 WNAQWQIWQJXVRP-FCHUYYIVSA-N 444.536 1.158 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722368193 PMWJVFKXRCOSNG-OALUTQOASA-N 444.557 1.660 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nnc(C)s2)CC1 1722445416 XJMAVAGDLOZIQZ-CQSZACIVSA-N 447.565 1.176 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCn2ccnc2C)CC1 1722445897 DSFLCSASFIGRNZ-UHFFFAOYSA-N 433.520 1.296 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722453581 YMFAYPAXQJAWLB-UHFFFAOYSA-N 446.537 1.729 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722458122 DEVGZZTZUIROHS-GOEBONIOSA-N 444.565 1.170 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1722464644 MYDDEKFCXULBMC-IEBWSBKVSA-N 449.621 1.858 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCOC)CC1 1722508095 QRORIFFJBXGEJI-KPFFTGBYSA-N 433.553 1.842 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722522181 CDASNFDUWJFTTM-FUHWJXTLSA-N 429.569 1.375 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722736864 LAABQGIWVFVXSP-DAWZGUTISA-N 439.582 1.614 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC(=O)N(C)C)CCOC1 1723665782 FMKQWVNAMUNZDR-JOCHJYFZSA-N 426.521 1.915 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)N(C)C 1723819891 SKBSVLGNKPZIKB-KKSFZXQISA-N 428.562 1.782 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1724420417 CHCSLZXKOIUNRF-JOCHJYFZSA-N 442.495 1.856 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1729666222 VZAPINQKNIYCJO-IBGZPJMESA-N 425.537 1.357 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1730587158 MDGQVLQHSKCEET-UXHICEINSA-N 427.505 1.864 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1730918949 KCRBOVGNBYFKIV-FDDCHVKYSA-N 438.532 1.784 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1740567363 QOXMEIJNHMKXHJ-AWEZNQCLSA-N 435.554 1.767 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCOCC1 1740599436 APECWRTXYZKDFC-PKOBYXMFSA-N 446.577 1.031 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1740681047 AVJVKMPTCNOKRV-JOCHJYFZSA-N 429.521 1.115 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2noc(CC)n2)CC1 1740690228 QBVLYCSKVURUKB-UHFFFAOYSA-N 428.541 1.140 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(C)COCCO2)CC1 1740698962 RMKIIAQLIFEJEP-XMMPIXPASA-N 439.560 1.633 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@H]2C1 1740709231 KTOAXQMKLGGIOD-KRWDZBQOSA-N 425.562 1.966 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1740729919 NSGWNDPURHUAAS-FDDCHVKYSA-N 436.516 1.747 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740857280 JFCIXZZQELCWQY-IBGZPJMESA-N 445.612 1.906 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(F)F)CCOC1 1741733562 XIPVZLIIIDUDAK-DNVCBOLYSA-N 429.468 1.719 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C#N)C1 1747427143 DWMQYJURUGASSD-MRXNPFEDSA-N 433.538 1.049 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1748666687 FZBYSYSDOVITFC-RTBURBONSA-N 428.581 1.970 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N[C@@H](C)CC 1748776364 GTSRTBCIZXKCMW-INIZCTEOSA-N 446.577 1.570 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748818491 BZEQRBHHJMOSSY-QGZVFWFLSA-N 430.559 1.339 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2cncn2)nc1 1748874679 CBDAACNTYDYQRO-UHFFFAOYSA-N 445.531 1.683 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748882898 KSNGQLHWAAOZGW-SFHVURJKSA-N 433.491 1.625 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748883154 UTNHGPFWBPUYNX-QGZVFWFLSA-N 435.454 1.405 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2(C)COC2)n1 1748970979 ZABVKALRNXVCQA-UHFFFAOYSA-N 441.536 1.033 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)NCc2ccccc2)CC1 1748990261 GLTMSBUUYNTMNU-NRFANRHFSA-N 436.560 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CC2)CC1 1749015695 JNUAPOJWLGRYHN-UHFFFAOYSA-N 437.544 1.563 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CCC)CC1 1749343122 XLVAQKRSGQJENL-YLJYHZDGSA-N 441.598 1.565 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749670387 SNUKHXRZUHDSST-KRWDZBQOSA-N 445.593 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnccn1 1749738803 YAWTVFFGVQFVPX-UHFFFAOYSA-N 430.538 1.167 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1ccnc1C 1750028757 PTZDYAGWYTTYCY-APWZRJJASA-N 428.541 1.384 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)C[C@H]1OC 1750189993 GCDODXRMKZUBRY-NJYVYQBISA-N 440.548 1.919 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@@H]1O 1750339457 PQJWEISOGCAJLS-GTCCEBARSA-N 426.521 1.002 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CCOCCCO)cc1 1750382966 MLNVGWKLMMQELM-LJQANCHMSA-N 439.520 1.256 30 10 IDEE CC(C)Cc1nnc(N2CCC3(CC2)COC(=O)N3)n1CCN/C(O)=C1\N=CC=CC1=O 1750734326 LBWUVJYPAYTXCK-ISLYRVAYSA-N 443.508 1.082 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760189016 FLWWYMHOJSPUQF-IBGZPJMESA-N 443.573 1.707 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1760194735 PCYNSDVDKIHQPX-OAHLLOKOSA-N 442.520 1.824 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1760249342 ZHYWPESEZLRORE-MSOLQXFVSA-N 446.502 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N2CCOCC2)CC1 1760266999 QPYNTIKYYZHRHT-QGZVFWFLSA-N 440.548 1.533 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2cccs2)CC1 1760269326 FJANTEOFCJMFMH-VGSWGCGISA-N 443.573 1.717 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCCN(C)S(=O)(=O)CC 1760296424 QGKMJWBCCQLJBL-OAQYLSRUSA-N 430.578 1.928 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1760440427 JSPQXKVGWOVSRO-JKSUJKDBSA-N 427.571 1.581 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1760677625 QVNLVVZACWBSGS-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1760813171 HWJOXDAMZAZHQG-XCLFUZPHSA-N 435.504 1.974 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(=O)N2)CC1 1761545641 GZYMCICILYDQQB-MRXNPFEDSA-N 442.545 1.757 30 10 IDEE CCC1(CC)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762497371 YCJHTEDDSYIUIS-MEUCICPISA-N 441.536 1.772 30 10 IDEE CCCCNC(=O)C1CCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1764186213 WUYVJTPGVCMCSY-VZCXRCSSSA-N 443.552 1.500 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1765635398 LNJBNMPBEAAAJZ-FQEVSTJZSA-N 435.532 1.420 30 10 IDEE COC1(CCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CCC1 1768205309 GIKGYNZJNVOENK-OAHLLOKOSA-N 430.534 1.958 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1770056222 YIHJKHAOEHLHFU-LPHOPBHVSA-N 427.505 1.977 30 10 IDEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)o1 1771533161 BAXFPWOZGFVUFI-UHFFFAOYSA-N 438.410 1.921 30 10 IDEE C=CCNC(=S)NCCOC(=O)c1cc(Br)cnc1N1CCOCC1 1851501837 BXMAPOKQWWEVLF-UHFFFAOYSA-N 429.340 1.488 30 10 IDEE N#C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2Cl)CCO1 1852748602 IVPIRRXKQKKERL-WMZOPIPTSA-N 433.917 1.981 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(Cc4ncno4)C3)CC2=O)c1 1854982719 HHVUONBSABISBQ-OAHLLOKOSA-N 428.880 1.348 30 10 IDEE Cc1ccc(S(=O)(=O)OCCOCCn2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 1857790461 PAYVNJHSRKAROY-UHFFFAOYSA-N 436.339 1.913 30 10 IDEE C=C(C)CN(CC)C(=O)COC(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 2041501360 BFIGZVOKPZJLPM-UHFFFAOYSA-N 436.530 1.689 30 10 IDEE C#CCn1ncc(N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106029650 FGXYLTJVFIGYKC-GFCCVEGCSA-N 427.299 1.687 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H](O)C1 2141670100 KQSYBMIBXMRGMD-GOEBONIOSA-N 447.341 1.937 30 10 IDEE Cc1cnc(NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232305815 HWYARCHVSKMLDY-ZACQAIPSSA-N 449.357 1.442 30 10 IDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2243440373 YUNZGVHEXJMEMH-UHFFFAOYSA-N 444.384 1.945 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255545502 RFXQRBUXGWHIHR-HUUCEWRRSA-N 436.314 1.679 30 10 IDEE Cc1nn(C)c(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255631288 WMWREGOYOZETOG-UHFFFAOYSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCO1 2255695487 FVCCWVJMOYKGAV-CYBMUJFWSA-N 434.302 1.447 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255697609 CDPKUVXZMAORJV-GOEBONIOSA-N 435.330 1.034 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](O)C1 2255707340 VEGYGTRQUQIIBO-ZBFHGGJFSA-N 435.330 1.414 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1NC(=O)OC(C)(C)C 2255818795 QKDQACKPRBBVTG-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2267155281 RGRQAZAMMITXCM-UHFFFAOYSA-N 449.361 1.225 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2267169554 ZEFGVCVIUUTKBO-RTBURBONSA-N 434.349 1.980 30 10 IDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267260554 PBDSOGGFPDJGDD-KBPBESRZSA-N 444.341 1.713 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267586890 QCSTWFCNEMBCOA-ZBFHGGJFSA-N 447.341 1.338 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268709844 DMHDFHYHVJNFRZ-GOSISDBHSA-N 448.369 1.920 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1C 2315635549 KRFRIBOKFLSCSI-CQSZACIVSA-N 434.346 1.767 30 10 IDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccccc1OC 10242760 XDIKBOHTUMVOBY-UHFFFAOYSA-N 445.545 1.549 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430986994 FHWLDLYLNLDFAB-UHFFFAOYSA-N 433.537 1.526 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C[C@@H]2CCCO2)c1=O 440389452 XIXUUUZNHPJHSB-HNNXBMFYSA-N 445.566 1.069 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 460933344 PCJOFOBRDCELRT-GOSISDBHSA-N 435.525 1.889 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@@H]1CCCO1 461346056 GCMGNCLTCXZREY-INIZCTEOSA-N 445.516 1.266 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 477119698 YGJYPRVAXAQPIX-GOSISDBHSA-N 443.527 1.808 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 478846318 RPSNPIOIQCBHCI-GOSISDBHSA-N 442.500 1.664 30 10 IDEE C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478974438 AFBHJCSWKYCEDN-INIZCTEOSA-N 429.498 1.351 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 480526090 MZFNZLCHKMOXAD-BEFAXECRSA-N 426.498 1.315 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(-c2ccc(F)cc2)c1=O 502056641 JWYJUQAKKNAQFR-UHFFFAOYSA-N 445.479 1.913 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 508290450 GRNUGAFTTGNZBZ-OALUTQOASA-N 425.489 1.133 30 10 IDEE COc1ccc(CN2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)c(OC)c1OC 509410759 ONRGTBABGOPGMS-OAHLLOKOSA-N 426.539 1.309 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccc(Cl)cc4)CC3)CC2)o1 532692807 GVFOCYIBEXIBNG-UHFFFAOYSA-N 428.924 1.979 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1-c1ccccc1C#N 543722696 QVFTYOMJCWLRSC-UHFFFAOYSA-N 434.908 1.982 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)cc2)c1N 584863698 YNYBDFURGMZAME-KRWDZBQOSA-N 436.497 1.519 30 10 IDEE CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586861865 AVLHECJBQOMLOL-CQSZACIVSA-N 444.467 1.138 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)s1 612196951 RZHGOUPUYUAMGD-UHFFFAOYSA-N 445.610 1.730 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730143875 XCFOXUGIPHCVJF-LJQANCHMSA-N 447.605 1.829 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 753060870 LHTOUBQQIBXPSW-DJFRZAPWSA-N 439.447 1.732 30 10 IDEE C#CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)[C@H]1CCS(=O)(=O)C1 757866656 RIMKNBBDEVUEBW-INIZCTEOSA-N 425.532 1.090 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1 767633460 BUEYIWRHLFDMQM-ZIAGYGMSSA-N 433.461 1.785 30 10 IDEE CN1C(=O)C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 768513525 PSFYUJXQRSEGCM-KXBFYZLASA-N 446.916 1.467 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1cc[nH]n1 772432162 FCSMEIUDCQAEIK-MRXNPFEDSA-N 437.460 1.842 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 780206012 ONFVAMAQHDNINJ-FQEVSTJZSA-N 445.497 1.804 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 786969366 UJGHHVQCQDNEIP-SJLPKXTDSA-N 439.484 1.288 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 789159801 UIEQJADLDISRNG-INIZCTEOSA-N 431.443 1.758 30 10 IDEE COCCCn1nccc1C=Nn1c(-c2cnn(C)n2)csc1=NCC(F)(F)F 789990519 LNRBKKGGJHSAIN-UHFFFAOYSA-N 428.444 1.923 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)n1 790104608 GBBTYZPKHHOKOR-KRWDZBQOSA-N 436.559 1.406 30 10 IDEE C#CCN(C(=O)CCc1c(C)nc2c3cccnc3nn2c1C)[C@@H]1CCS(=O)(=O)C1 795470023 QFJGTXUDOPWVCO-MRXNPFEDSA-N 425.514 1.476 30 10 IDEE C#CCC[C@@H](O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 799076444 VHINGRGZLCZITG-ZBFHGGJFSA-N 429.336 1.493 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCCC1 1116574128 CDIITYRCKQIKNW-OAHLLOKOSA-N 429.539 1.885 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)C2=O)cc1 1116951270 BSNPBQHELOQPCX-HQRMLTQVSA-N 440.500 1.447 30 10 IDEE C=CCCn1cc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)nn1 1124416120 GNWRHKFIAWJEEP-UHFFFAOYSA-N 444.517 1.628 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3n[nH]c(C)c3I)CC2)c1C#N 1138262863 WIMAFJJCFRFCMS-UHFFFAOYSA-N 439.261 1.199 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)c1cc[nH]n1 1140896556 VVYRFXLGWZRZSF-KRWDZBQOSA-N 427.505 1.674 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1 1147751679 FZUMSZHLBQYXLO-OAHLLOKOSA-N 445.472 1.533 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 1152974415 SIDCUYSUWDSANM-UHFFFAOYSA-N 441.435 1.117 30 10 IDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CNC1(c3cccc(C#N)c3)CCOCC1)C2=O 1174661173 KIDJRMOAHHVLMW-UHFFFAOYSA-N 439.516 1.685 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2SCC2CCCCC2)CC1 1175515089 RCGXNNQEVYRWIO-UHFFFAOYSA-N 436.603 1.979 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(OC(F)F)c(Br)c3)C2)c(=O)nc1O 1180999737 DROQGSIZLFEKNG-UHFFFAOYSA-N 441.188 1.882 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 1224573484 IMXAQJKTVIZCAJ-MRXNPFEDSA-N 448.574 1.888 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 1274417025 FKBPVFYYPKUWTL-MRXNPFEDSA-N 448.526 1.663 30 10 IDEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286315834 OWAWGZDCBBTJQJ-LJQANCHMSA-N 427.505 1.717 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1286410239 XORDRVOTBRAKFG-UHFFFAOYSA-N 426.484 1.530 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccn(C)n1 1286416688 VGGZBSCWFIBCSE-UHFFFAOYSA-N 442.571 1.497 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2COCCO2)CC1 1286484169 FJPNNXZTPACBIE-OAQYLSRUSA-N 425.533 1.645 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCOC)CC1 1286539247 XNYNXWOUIJEURS-AWEZNQCLSA-N 428.331 1.770 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCOCC(F)(F)F 1286629088 JIBXUSMVEAALEQ-LBPRGKRZSA-N 446.879 1.310 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1)C1CC1 1286732327 PWDZQZWXAOTOAM-KSSFIOAISA-N 428.628 1.480 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](COC)C1 1286780291 SPEIJHSENNWBIF-CYBMUJFWSA-N 437.342 1.821 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](COc2ccccc2)C1 1286785673 PGPGWHIKJZYNNW-IBGZPJMESA-N 434.500 1.927 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1286789317 CVYFULJMANDOBE-HSZRJFAPSA-N 438.532 1.455 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCOC2)cc1 1286794494 IPOLUVIYFSHGIL-RDJZCZTQSA-N 435.550 1.727 30 10 IDEE CC(C)(C)c1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)on1 1287015672 YDBIHRBEGZFQFF-DZGCQCFKSA-N 434.522 1.243 30 10 IDEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cs1 1289395268 MSYPIHIOUQMNGB-XJKSGUPXSA-N 438.579 1.768 30 10 IDEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1290917184 ATAJGJXUQORHFC-UHFFFAOYSA-N 449.515 1.959 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1297760519 RSRIGORWLDUGNG-CQSZACIVSA-N 439.929 1.052 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCCNS(C)(=O)=O 1298283614 IZZKRBPPJVTKFI-UHFFFAOYSA-N 427.534 1.731 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1300300635 ISANRWQGGDOQPW-OAHLLOKOSA-N 430.482 1.763 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1300487693 LIQBOPDVNLPCDM-MRXNPFEDSA-N 425.518 1.241 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1300501628 MLDQURMVCBIWJQ-SFHVURJKSA-N 446.573 1.951 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(C)=O)C1 1301501950 AERSAEVKQLRWQD-QFBILLFUSA-N 440.504 1.198 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccsc2)CC1 1301505703 AAVNEXKNMNLQBN-UHFFFAOYSA-N 437.573 1.950 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCC(O)CC2)C1 1301556075 FKWPFTWSLCNEDB-NRFANRHFSA-N 426.565 1.892 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301588759 IYPJDIJTNDIKBG-FGTMMUONSA-N 440.566 1.157 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1301965259 IFWIPHQCBCDYKH-UONOGXRCSA-N 434.522 1.569 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N(C)C 1301973406 FROOUUCSRVTVFK-OAHLLOKOSA-N 430.538 1.004 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cc(C)oc1C 1302310717 CQHIOLIQDMJQIG-SXKCCIOGSA-N 445.520 1.848 30 10 IDEE C=C(CCN(C)C)C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1304363530 DTGVSIIZAGOPTR-OAHLLOKOSA-N 427.286 1.799 30 10 IDEE CCc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1305947939 VQANDPOMGVFJOD-XDOYNYLZSA-N 449.515 1.312 30 10 IDEE CCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1306539708 ROALIHHFZQAKAH-GCJKJVERSA-N 425.537 1.926 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCS(=O)(=NS(C)(=O)=O)CC2)cc1 1307792149 AGQOULKLEMSZDG-MRXNPFEDSA-N 426.564 1.373 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCC[C@H]4CCCS4(=O)=O)CC3)n[nH]2)cc1 1313217464 AUTFOXSRVWMTFS-GOSISDBHSA-N 442.545 1.747 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCSC1 1314388246 IAERCQLMKDHPLZ-FQEVSTJZSA-N 429.550 1.276 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1358918924 LHBOZTOKLVABLZ-UHFFFAOYSA-N 441.499 1.932 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OC)n2)CC1 1358937162 KTWRBKFXMHXEMK-HKUYNNGSSA-N 441.536 1.541 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1358958157 IRCSQHROPZVWNW-MRXNPFEDSA-N 429.506 1.155 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358967962 WKTJNTHBLGHYAJ-HNNXBMFYSA-N 438.579 1.234 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2COCCO2)CC1 1359046176 HLHSJISOKJXNKW-GOSISDBHSA-N 444.561 1.015 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1359070336 KRFZMEIMPIJREL-DYESRHJHSA-N 447.605 1.821 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C 1359310837 IHUCHKHEQPNSHY-QGZVFWFLSA-N 438.532 1.336 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1359331210 QYIJDIFOKCVBQX-OAQYLSRUSA-N 442.545 1.729 30 10 IDEE NC(=O)CCn1c(SCC#CCN2C(=O)c3ccccc3C2=O)nnc1-c1ccco1 1458890503 AYFBLZHNIWAEDW-UHFFFAOYSA-N 435.465 1.805 30 10 IDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1465170170 GTNCWOMYWQMZLP-UHFFFAOYSA-N 441.517 1.301 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1466822986 WNQSAVKLWIAULH-MRXNPFEDSA-N 446.554 1.722 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)cc1 1471855372 WWZBENHGLZXLPW-INIZCTEOSA-N 431.518 1.354 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ncn(C)c1Br 1472126252 RJSJVDNZNNMPCL-NSHDSACASA-N 440.323 1.080 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1502496929 CTWQFGGZVQURKN-UHFFFAOYSA-N 446.533 1.530 30 10 IDEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1504262068 GJRBUVAZOQWAES-INIZCTEOSA-N 449.471 1.720 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CC2)c1 1505121444 IALWASQKEXMYAY-SFHVURJKSA-N 445.545 1.894 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1505135227 QOQOOBXNFXXBEC-GOSISDBHSA-N 444.561 1.448 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1507673575 WESKSUCVRPEQQZ-UHFFFAOYSA-N 438.576 1.508 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1507748195 LHALAMRPFYRQQG-OAHLLOKOSA-N 433.559 1.027 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507944278 QOKYGSIQZRMDGN-APWZRJJASA-N 426.587 1.156 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507954361 MAFIOALTBASVJL-MSOLQXFVSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508073566 ODPOYAUSGWWZTD-FQEVSTJZSA-N 427.465 1.118 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1510375375 VXQABQRLOZPLIL-FQEVSTJZSA-N 431.472 1.580 30 10 IDEE COCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1518891379 AZSSDPNTNXJJJA-DPPKGPFUSA-N 444.536 1.561 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC3(C#N)CCCCC3)c2)CC1 1529145747 QEEOMAHAMNQCSR-UHFFFAOYSA-N 432.546 1.743 30 10 IDEE C#CCO[C@@H](C)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1538797913 DTJPPZKHUSTPLV-ZDUSSCGKSA-N 432.336 1.869 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1539202349 HFDFRTOZXDMNHW-FIKGOQFSSA-N 436.578 1.540 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1539202406 HXDCBOIOJSQCTM-QZTJIDSGSA-N 437.610 1.049 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1539219842 FYFBQYFBXDCRMO-IAGOWNOFSA-N 449.602 1.920 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1539427657 GJKNYADCIZVXSI-AZUAARDMSA-N 437.548 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](CC)N2CCCC2)CC1 1539429903 DSLKVAGCDOEFBW-NZQKXSOJSA-N 430.597 1.560 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)COC)CC1 1539488734 OAFYFHNXUYFQFE-MRXNPFEDSA-N 427.553 1.388 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539742587 GVDPPAYRCLCUFO-IBGZPJMESA-N 440.552 1.071 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1540028995 VZBMSMMJHGOKGO-MRXNPFEDSA-N 427.505 1.976 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1540908918 RKLOFBOWZYIKNU-INIZCTEOSA-N 449.581 1.337 30 10 IDEE CC(C)CCN1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1541521532 HAUKIBLVGOXCCB-LJQANCHMSA-N 431.585 1.903 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCNC(C)=O 1545533061 BIGBQGDNNKUTOA-HNNXBMFYSA-N 427.557 1.558 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CCO1 1555385677 HEKJLJUYWQOZQV-IBGZPJMESA-N 447.561 1.883 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1555555480 UVNPDABBDZQDMD-KRWDZBQOSA-N 449.519 1.751 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555692440 DUDKEJBRXMCBBX-DPPKGPFUSA-N 444.536 1.704 30 10 IDEE C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1555952412 OICBLWAGSZTIJO-NVXWUHKLSA-N 427.509 1.906 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1558606207 OYXUUZPPXLUFLR-MRXNPFEDSA-N 436.534 1.292 30 10 IDEE CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC2)CC1 1564832597 QXDZUMSBSZKSAR-HXUWFJFHSA-N 448.593 1.241 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(C)c2)CC1 1587807808 JBRLKSVXOLBKEU-LJQANCHMSA-N 444.605 1.932 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1588574236 AYVHERTZGKRPJY-UHFFFAOYSA-N 448.487 1.413 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2COC)CC1 1588733185 OXKRUSNIUSWAMU-UHFFFAOYSA-N 445.527 1.875 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCSC2)CC1 1588865300 SFGABRPJGLKMPE-MRXNPFEDSA-N 430.603 1.778 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 1588871952 SYQDYDBOAVGUID-IBGZPJMESA-N 431.924 1.681 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCCS(C)(=O)=O 1589171321 AWQAMMGKEDNQRR-HXUWFJFHSA-N 447.517 1.907 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1594783797 IXUFYXMLOUCPPN-SPEDKVCISA-N 433.553 1.880 30 10 IDEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC)C1CC1 1595026346 JLDPIHSXDWXNLM-UHFFFAOYSA-N 429.344 1.740 30 10 IDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CN(C(=O)OC(C)(C)C)C1 1595465502 LQZIBJKNNQOKAP-UHFFFAOYSA-N 445.582 1.310 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595879407 WCJCBTVLAMVXKT-GDBMZVCRSA-N 446.581 1.723 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNC(=O)c2cccnc2)C1 1595921685 ZQHYKNFDKVAPAP-UHFFFAOYSA-N 428.290 1.698 30 10 IDEE COC[C@@]1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CN(C(=O)OC(C)(C)C)CCO1 1597246547 VRYOLKABGCUETE-JOCHJYFZSA-N 445.520 1.254 30 10 IDEE N#Cc1csc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 1598154526 FURYJXKKFGGPMJ-UHFFFAOYSA-N 434.421 1.898 30 10 IDEE C#CCOCCN(C)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 1608104046 IGMFXRHDRBQMOL-UHFFFAOYSA-N 433.442 1.823 30 10 IDEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1613605841 FJXKOOGYUFYPCW-CVEARBPZSA-N 441.540 1.218 30 10 IDEE COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@@H]12 1616175521 ZMEZWXNPOOEALR-QTVXIADOSA-N 433.452 1.271 30 10 IDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1617157172 KWSOZUWAMYAGEZ-HXUWFJFHSA-N 433.534 1.229 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1617180090 QOIWTSUNVOWWJV-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1617331714 BXPWTOIDYUHNBN-UHFFFAOYSA-N 445.545 1.780 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1619877323 BWNRVYUHZUGJTI-PMACEKPBSA-N 437.548 1.642 30 10 IDEE C=CCn1cc(CNC(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)nn1 1626977562 YGRNMZOIYVSUAM-JOCHJYFZSA-N 447.495 1.980 30 10 IDEE C[C@H](CC(=O)N1CC(=O)N(CCC(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1627812042 HUGBSRYJZLAPSY-LLVKDONJSA-N 432.424 1.084 30 10 IDEE C#CCN(CC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OC(C)(C)C 1629143117 PNLZYKNLPKBEPX-HOTGVXAUSA-N 433.509 1.328 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)CC1 1631538593 VYMKESMHTCPPLJ-SFHVURJKSA-N 432.571 1.827 30 10 IDEE C=CCCC[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OC 1634883835 CGFDZOHZBGGCMU-QGZVFWFLSA-N 432.477 1.891 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2cc(N3CCOCC3)ncn2)c(=O)c1C#N 1641513449 GZUJZTUNZUDGHB-UHFFFAOYSA-N 433.266 1.110 30 10 IDEE C#CCN(CC(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC(C)(C)C 1644272618 UHBJNQLXFMUACJ-OAQYLSRUSA-N 425.526 1.999 30 10 IDEE C#CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CSC1 1645212268 KZILHOFBGFQJNY-FVQBIDKESA-N 428.576 1.234 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)CC1 1650845939 BSDYVXAOBRQIKK-JTAQYXEDSA-N 445.585 1.656 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)c1 1651483500 SJWHEPRSSWHRNJ-HTAPYJJXSA-N 447.557 1.927 30 10 IDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)C2(NC(=O)C(F)(F)F)CCCC2)C1=O 1652630005 YCMBVJVBWLCVLV-GOSISDBHSA-N 436.390 1.886 30 10 IDEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCC1(F)F 1655214194 FBMXBEKNZGXPOZ-AWEZNQCLSA-N 425.436 1.024 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@](C)(CO)c2cccc(Br)c2)CC1 1660530791 JSWDYONXCDRFCS-UYAOXDASSA-N 437.382 1.939 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Nc2cc(F)cc(C#N)c2)CC1 1674213071 GXYSKUWJAZZAJU-UHFFFAOYSA-N 431.493 1.955 30 10 IDEE C#CCN(C(=O)NCCS(=O)(=O)NC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1677518457 MYEHPZGYGHSTHA-UHFFFAOYSA-N 430.571 1.359 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](c3ncccn3)C3CC3)CC2)cc1 1687679712 JMWAYQCJMUNDHF-GOSISDBHSA-N 426.502 1.515 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1 1689824773 WWMWGOJFACSMEB-MRXNPFEDSA-N 426.521 1.390 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1689851637 TWESMKHSYCEYLL-FXAWDEMLSA-N 441.601 1.737 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690102192 FICHXTGIOUAGFM-QGZVFWFLSA-N 446.552 1.715 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)CC1 1690124664 QNFITEJBVMCBOC-HXUWFJFHSA-N 448.637 1.057 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1690669427 FGOAXSZNZPVNFY-RBUKOAKNSA-N 438.532 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C(C)(C)C1 1690715000 AQBCQYFUVKQLAA-GJZGRUSLSA-N 447.627 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690724841 XGAJXBRGUAZBCT-DNVCBOLYSA-N 439.538 1.151 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCS1(=O)=O 1692660017 BJYXAWAWWJIRCN-INIZCTEOSA-N 442.549 1.290 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1695499110 HDXMRAVTKCEEFB-SFHVURJKSA-N 444.561 1.699 30 10 IDEE CNC(=O)c1cccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c1 1696933726 BZFOXBCGVGPXSL-QFIPXVFZSA-N 439.495 1.445 30 10 IDEE COc1ccccc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1697592777 DXZBLUNWONNVFO-QGZVFWFLSA-N 433.472 1.905 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1698317059 AIEHZUZNEMZFSW-SFHVURJKSA-N 442.467 1.528 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCOCC2)c1 1705476247 UJOUBOLIECXCOM-QGZVFWFLSA-N 438.532 1.973 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705514930 NNQJMMFVDHLLNK-OAHLLOKOSA-N 433.534 1.823 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705547390 FSYAJSMEGYKDBI-INIZCTEOSA-N 440.504 1.799 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705558611 CONCZWTZNIDHIU-OAHLLOKOSA-N 435.575 1.461 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(CN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1705561395 PTYXOHFTCLOFDP-NRFANRHFSA-N 443.573 1.094 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1705578239 LBQOKLNSLBNYSS-UHFFFAOYSA-N 428.452 1.331 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2ccccn2)CC1 1705648399 VNRGGCYVRNSAOC-SFHVURJKSA-N 449.559 1.568 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCn3ccnc3C2)CC1 1705652664 IFOKAMMNYKCMDE-QGZVFWFLSA-N 425.537 1.240 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705791273 RRYJADDKQVXCTG-GJZGRUSLSA-N 429.525 1.304 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705894480 AHEBRJJUOSNJKR-DMPWYTOCSA-N 448.568 1.271 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccsc1 1705897094 FZBBKNOCYAWBMT-ZFWWWQNUSA-N 438.579 1.594 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CC)C1 1705900479 FHHBDAIFBHCXIS-OAHLLOKOSA-N 437.504 1.109 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1705997180 GHCYCEGRJLLWQM-JOCHJYFZSA-N 440.504 1.203 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](CC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1710455424 PMOWYHGOGRONLW-KZYMUQIBSA-N 444.536 1.693 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1712283787 HGFDYICBLNCNLB-WMZOPIPTSA-N 431.518 1.103 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccsc2)nnc1N1CCC(CO)CC1 1712913016 QZDFCOFSEKXTGC-FMQUCBEESA-N 442.545 1.666 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722324627 VNJPOVGKRFCNPI-FOIQADDNSA-N 435.525 1.539 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1722424585 RYOQDHTUTIQEEC-JOCHJYFZSA-N 442.589 1.634 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NCCC)CC1 1722448613 FCEKLQKIOLPHRF-UHFFFAOYSA-N 442.589 1.813 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722554610 REJBJTPXSRVFEQ-QGZVFWFLSA-N 446.943 1.659 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1722629378 KNEZMJKUKCIJOG-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@@H](SC)C1 1722690314 HNFFCDGQOCURTP-OAHLLOKOSA-N 429.550 1.950 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722696678 SOXUTCDGUXPQKQ-MRXNPFEDSA-N 439.520 1.296 30 10 IDEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1723713650 QYQDPJNEZLVGDZ-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1729692113 FONNOHPYDSGBHB-QMHKHESXSA-N 438.532 1.709 30 10 IDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)c(OC)n1 1730170529 GNSVMAYTBZROBC-UHFFFAOYSA-N 439.520 1.991 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740624948 LLLFGGYHNWZTEP-LJQANCHMSA-N 445.564 1.731 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1740625359 NKNXIOWSXOKHHW-LJQANCHMSA-N 431.562 1.706 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1740672233 ZMMFSKOTCXWYKG-LPHOPBHVSA-N 445.545 1.247 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2F)CC1 1740694290 FIPYAZIKKCHPMZ-WMZOPIPTSA-N 426.496 1.591 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C)COC2)CC1 1740702958 BXHKVRAASPUPQM-HSZRJFAPSA-N 445.564 1.321 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1740751156 YGIYOSVASDDVIK-NVXWUHKLSA-N 439.582 1.411 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740765222 RWBYTZKSFSCVHN-INIZCTEOSA-N 447.565 1.609 30 10 IDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1740794956 LEVNEVUJSJNGPJ-SFHVURJKSA-N 440.552 1.356 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740938648 JVVRVUHHORPTIH-HXUWFJFHSA-N 431.518 1.005 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C(N)=O)C1 1740951907 QBCGIOLTKQIUME-SJORKVTESA-N 426.521 1.649 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCSC2(CCOCC2)C1 1740995401 KLAJQMSLIZWDMD-MRXNPFEDSA-N 442.607 1.833 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CSCCS2)CC1 1749009426 IOVCQOXXGFYXMG-ZWKOTPCHSA-N 449.646 1.987 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1749039894 DYESTWHVHYNDAE-GOSISDBHSA-N 429.571 1.257 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749049181 FMOLUYOUQVDXCN-NRFANRHFSA-N 433.578 1.496 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(cccc2OC)C1 1749731654 HIRKMGUWPFUUSP-KRWDZBQOSA-N 445.545 1.401 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C(C)(C)C1 1749735713 VDOLTTBPZGDTTE-HZPDHXFCSA-N 444.623 1.653 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNC(=O)C(C)C 1750978094 KVBKBNPTSUFCKK-MOPGFXCFSA-N 437.548 1.932 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1760195964 CDNQAFLZRHKFCG-LJQANCHMSA-N 442.541 1.617 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1760202154 UXPPUZFJQWCFRE-SFHVURJKSA-N 437.500 1.571 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760325028 OKESFQNRVPAXST-IPJJNNNSSA-N 444.580 1.734 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760448623 JZZCLKIKZNPRGU-LJQANCHMSA-N 441.580 1.999 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760515390 MZSXEZUSQPRNIP-GOSISDBHSA-N 448.325 1.197 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760520632 VBSPRWPMRFXRKB-KRWDZBQOSA-N 440.552 1.168 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761229204 YEKHDGQVTNXNJL-FBMGVBCBSA-N 427.509 1.323 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC(F)(F)CO1 1766408623 HXFAUJVZBZJEIA-GJZGRUSLSA-N 448.478 1.616 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1766651785 ORLMTFKZFOTYOC-IERDGZPVSA-N 447.561 1.882 30 10 IDEE CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)CC1 1767109370 QTRHSKCYMSLYMF-FYQPLNBISA-N 433.601 1.624 30 10 IDEE COCc1nocc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769394404 WCDMWCWNFLPWQI-PMACEKPBSA-N 434.472 1.943 30 10 IDEE C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ncccc2C#N)CC1 1849644608 DLKVNMWWXMMNCC-ZDUSSCGKSA-N 435.456 1.247 30 10 IDEE C=CCN1C[C@H](C(=O)N(C2=NCCN2C(C)=O)c2c(Cl)nc(C)nc2Cl)CC1=O 1852440895 MLKMZUKPQXFSIS-GFCCVEGCSA-N 439.303 1.677 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cnn(CC)c2C(F)(F)F)C1=O 1854194654 VEJWYKKHLLEJAF-KBPBESRZSA-N 427.427 1.382 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1S(=O)(=O)c1cccnc1 1854996777 UABLUALUPAXNTI-ZDUSSCGKSA-N 432.889 1.863 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cccc2)C(=O)C12CCCC2 1856257788 JKBMYWAYZHSPFO-UHFFFAOYSA-N 426.498 1.732 30 10 IDEE CC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC(N4CCC(C#N)CC4)CC3)ccc21 1857209968 DNUURMAHINHJAY-UHFFFAOYSA-N 430.530 1.511 30 10 IDEE CC(=O)N(CCN)C(=O)[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C 1868784475 XLVSLBQVQBMKEK-PKOBYXMFSA-N 433.578 1.499 30 10 IDEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN(CCOC)CCOC 1870492244 NOVRKXMUBXTFHC-UHFFFAOYSA-N 435.565 1.957 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2126937699 QUJHQWLPJQESNP-NRFANRHFSA-N 448.329 1.476 30 10 IDEE C[C@@H](c1nscc1C#CCCO)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2186594464 ZJZBWKHBPUJVKK-AWEZNQCLSA-N 447.538 1.496 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 2247570597 AHPWYQGDPZGFMJ-YZEMWESSSA-N 437.537 1.780 30 10 IDEE C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255702519 HNJLIIMZXKTONH-CYBMUJFWSA-N 436.314 1.679 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2267187963 GDXWKIWEOWEIGX-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2267218860 AAEPWOYLTZVWSE-UHFFFAOYSA-N 449.357 1.831 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267271201 QMSKGPNXFDLIEC-IRXDYDNUSA-N 447.341 1.481 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267542487 SGJQVQXWFXRPQI-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCC1CN(C(=O)OC(C)(C)C)C1 2267607469 NQKZMIVDOPKCPP-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2269771726 POXSSAWONZNAAX-OAHLLOKOSA-N 448.329 1.740 30 10 IDEE CO[C@@](C)(CO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282313719 OSLOVLCHYHUDKW-OAHLLOKOSA-N 425.765 1.376 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=CC(Br)=Cc1ccccc1)n2CCO 2296160251 INGKAJAMJPKWNA-UHFFFAOYSA-N 433.266 1.662 30 10 IDEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 2314457632 SOMYRFFYRQHAFO-UHFFFAOYSA-N 432.527 1.842 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2337192257 JTZVSAJUUDMGOJ-RCDICMHDSA-N 446.357 1.706 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 27901334 JKWNBKMNRGPWNO-IBGZPJMESA-N 430.549 1.287 30 10 IDEE CC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@H]2C(C)(C)[C@@]21OC(C)=O 108968402 OMHXSAMFEJVCPT-OXHPMGDNSA-N 448.512 1.072 30 10 IDEE Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 434010137 BNZQUJXLWUJAHI-BDJLRTHQSA-N 443.451 1.995 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@]3(CNC(=O)C3)C1)CCCC2 434754444 ILZFPDGVBBKJPW-HJPURHCSSA-N 425.533 1.568 30 10 IDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1F 442253640 BSSXSSYQFCWESS-KRWDZBQOSA-N 440.431 1.528 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 478731527 FVEJKVIOOQYVRG-CQSZACIVSA-N 441.459 1.744 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1 479034775 PFYFDVWAKOJEMU-UHFFFAOYSA-N 429.502 1.040 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CNC(=O)c2ccccn2)CC1 503272705 RZYVVFKDMBCNDW-SFHVURJKSA-N 442.317 1.983 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 504072691 ZVWOHCNOSZBIKP-UHFFFAOYSA-N 449.573 1.833 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)CC1 508726474 UTTWCGONMIAXOB-UHFFFAOYSA-N 425.533 1.967 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 509010711 KILGCWXMEAZIEA-QRQLOZEOSA-N 447.561 1.763 30 10 IDEE O=S(=O)(N1CCOCC1)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 532590239 QGIHAUFJAWWNCV-UHFFFAOYSA-N 433.452 1.131 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 537172676 SNTHXMBGEQWCJD-OALUTQOASA-N 445.589 1.028 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cccc(C)c3)c2=O)c1 537394943 ROBWDXJVBZSQEE-UHFFFAOYSA-N 446.532 1.701 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc2cccnc12 541288777 MOEJQWZKYCTQOC-UHFFFAOYSA-N 432.505 1.124 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CC1 543145064 NXNAUJUMZDWZTM-UHFFFAOYSA-N 439.566 1.911 30 10 IDEE COc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(Cl)c1OCC(N)=O 544833974 PPSJKFCNVFRINK-UHFFFAOYSA-N 429.864 1.442 30 10 IDEE CN1CCN(c2ccnc(-c3noc(CS(=O)(=O)Cc4ccc(C#N)cc4)n3)c2)CC1 547215793 QGIRHTPICTZDTK-UHFFFAOYSA-N 438.513 1.870 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCCN1C(=O)c2ccccc2C1=O 552073232 VLZVKKRECHHGBV-MRXNPFEDSA-N 432.484 1.852 30 10 IDEE C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 561374577 BPJKZQLNEUNLGB-SFHVURJKSA-N 436.852 1.987 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 576133382 YBLQEKLCYFBVDI-LJQANCHMSA-N 447.561 1.732 30 10 IDEE N#CCN1CCC(NC(=O)C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 585715622 AKIUZHKHGXJOAE-GOSISDBHSA-N 435.931 1.836 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccccc1C 603800828 XRXPLBZAFYDPSL-UHFFFAOYSA-N 449.532 1.482 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1C[C@H]1CCCO1 603989541 CSGMYXSWKGMDSH-QGZVFWFLSA-N 435.505 1.598 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 609026015 DNGHRFQSTNRNPU-INIZCTEOSA-N 428.514 1.582 30 10 IDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 677952064 GDGXAXZSUSFQLU-SFHVURJKSA-N 430.530 1.466 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3ccoc3)c2=O)CC1 727417896 LAQNEJXOIJSWIW-UHFFFAOYSA-N 426.542 1.331 30 10 IDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 732495606 DVIXMYFJZNZMAB-CTNGQTDRSA-N 446.463 1.818 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccc(F)cc1 732561078 FQSPQWSQQKPJBF-UHFFFAOYSA-N 439.516 1.674 30 10 IDEE Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706095 FFPNMJDFWZUVTN-HNNXBMFYSA-N 437.422 1.424 30 10 IDEE N#Cc1ccc([C@H](OC(=O)c2ccc(-n3cc(Br)cn3)nn2)C(N)=O)cc1 750420522 AGSBOZLBPAASIR-HNNXBMFYSA-N 427.218 1.680 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC[C@H](C)CS(C)(=O)=O 757971283 CJUDNIZJSBXVRS-ZFWWWQNUSA-N 430.548 1.508 30 10 IDEE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)cc1 760912323 YBBMITNDPFWJCE-JOCHJYFZSA-N 436.560 1.267 30 10 IDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)NC(C)=O)cc1 766991400 WSNMNQXXCMUORZ-KRWDZBQOSA-N 431.470 1.648 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(cc2Cl)OCCO3)n1 788695141 FQPIIMVLWFWOSB-UHFFFAOYSA-N 425.894 1.778 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 806544699 BFCDQFFEALBIKE-MRXNPFEDSA-N 431.493 1.448 30 10 IDEE CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 810381971 CNDMQYMGACFMLI-XSAFGROZSA-N 432.521 1.912 30 10 IDEE COc1cccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 811042729 OXVGBLNBSUREFF-UHFFFAOYSA-N 443.481 1.789 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC)[C@H]1CCS(=O)(=O)C1 812023419 XCWRFFHNVJDDQJ-HNNXBMFYSA-N 434.518 1.618 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2c3c(nn2C)CCCC3)C1=O 812221422 LIZAGYOLVROLBN-IPQBESIJSA-N 440.573 1.873 30 10 IDEE COc1ccc(OCc2ccc(C=NNc3nc(SCC(=O)NCCO)n[nH]3)o2)cc1 1084330190 ZJELIURBVJRGSX-UHFFFAOYSA-N 446.489 1.632 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(N(C)C)ncc1Br 1127138132 CANORRKGFUSMCR-LLVKDONJSA-N 431.298 1.318 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(N4CCCS4(=O)=O)CC3)n[nH]2)c1C 1161694756 RJUHHFOJODSBDG-UHFFFAOYSA-N 432.550 1.716 30 10 IDEE C=CC1(CC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)CN(C(=O)OC(C)(C)C)C1 1181120724 OJKMHXJRBFXNEU-UHFFFAOYSA-N 428.551 1.606 30 10 IDEE CN(C)c1nccc2c1CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1181155276 DXTPKXQPSAISIS-UHFFFAOYSA-N 427.530 1.551 30 10 IDEE C#CCC1(O)CCN(C(=O)NCC(=O)Nc2ccc(I)cc2)CC1 1228245599 NTUOBBDPZXHUFE-UHFFFAOYSA-N 441.269 1.790 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)NC3(c4ccc(C#N)cc4)CCC3)cnc21 1277437345 HLWNTCGNWGMKJG-UHFFFAOYSA-N 441.289 1.960 30 10 IDEE Cn1ncc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1I 1279052671 JBYSWJRRKKWIMA-UHFFFAOYSA-N 427.271 1.920 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286390691 FACSVFUITXTTEB-KRWDZBQOSA-N 435.500 1.936 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCOCC1 1286413088 HEOUIZSQIHDSIO-FQEVSTJZSA-N 448.575 1.246 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)C(C)(C)C)CC1 1286472753 KGVUMXSZNYKZMS-QHCPKHFHSA-N 446.596 1.236 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1286485343 ZJLZLLFPWHFVMJ-HYBUGGRVSA-N 439.560 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCc2ccco2)CC1 1286489704 CYNNXHCCUXXJPI-UHFFFAOYSA-N 447.499 1.215 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)O)CC1 1286492107 HHKVJRUSAGOZGG-UHFFFAOYSA-N 425.533 1.902 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCSCCCO 1291195502 SBAQMLZSHWIDRR-INIZCTEOSA-N 442.593 1.723 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1292177015 WUIXUJCKISHZQP-DLBZAZTESA-N 447.561 1.884 30 10 IDEE CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1292331743 OZVPHDHPAGWFEL-FXAWDEMLSA-N 448.549 1.750 30 10 IDEE N#Cc1ccccc1N1CCCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1292791971 GSPGCPYZODAAME-UHFFFAOYSA-N 434.496 1.980 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1300382480 VYKCQOFTGDESRR-HNNXBMFYSA-N 432.550 1.675 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300479739 RRMWKNDRVGQKRL-KSZLIROESA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1300496733 UMGAKWAGEVZYEB-IPMKNSEASA-N 435.594 1.141 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 1300517060 WLCXABXZWWSRQJ-UHFFFAOYSA-N 435.532 1.952 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1300695734 HSLZTDHMTUZKHQ-UHFFFAOYSA-N 425.581 1.918 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1301520741 NFQSXXSEVNSBRQ-SFHVURJKSA-N 438.532 1.002 30 10 IDEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1301525056 FVRQEMIDXBFDQH-OAQYLSRUSA-N 448.527 1.828 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(CCC(N)=O)CC1 1301578765 IBRFVNLISRVJGQ-UHFFFAOYSA-N 434.566 1.366 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301585455 BEIKZTCXYSAWBL-OALUTQOASA-N 438.594 1.996 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(N)=O)c1 1305788795 CBKWEYYXHUHLNJ-KRWDZBQOSA-N 425.493 1.072 30 10 IDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1309403616 WTAULNRGHRSMJO-RBUKOAKNSA-N 443.587 1.803 30 10 IDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)NCC1(C#N)CCOCC1 1311316968 DOEOBQKOEHFDHR-UHFFFAOYSA-N 447.540 1.793 30 10 IDEE N#Cc1ccccc1N1CCCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 1313273733 WVPRPLOJAHYZNZ-UHFFFAOYSA-N 448.527 1.213 30 10 IDEE COC[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1315945492 JWJAHHGMABMXMV-UNEBPCJRSA-N 444.536 1.389 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(F)c2F)C1 1324332496 DSVFITGGFSWFRI-RISCZKNCSA-N 439.488 1.836 30 10 IDEE COc1cccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1346064870 KEGWFNSRGCHIHQ-IRXDYDNUSA-N 444.488 1.858 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1356279478 YWSYKSLOVLUORK-CVEARBPZSA-N 427.509 1.973 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](C)N2Cc3ccccc3C2=O)c1 1357767462 UNRJCBIUGKHBNV-GOSISDBHSA-N 431.492 1.904 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1358886633 HRGZDJBGOGRODB-CQSZACIVSA-N 440.529 1.877 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1358896099 XBJCNOGOZPKALZ-NQIIRXRSSA-N 436.560 1.473 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(SC)CCN(C)CC2)n1 1359027250 BGJCBYSKGJYQHK-UHFFFAOYSA-N 431.610 1.897 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1359063781 DBWSXSOOLBZTCY-HRAATJIYSA-N 441.561 1.885 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359287726 SBLBGZJEUYQVNN-SOUVJXGZSA-N 435.481 1.887 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359306823 RILSYFOMMXJIDB-LJQANCHMSA-N 428.512 1.893 30 10 IDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359308923 CFSPAQOMWKHILX-UHFFFAOYSA-N 438.532 1.471 30 10 IDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1360529234 DWVPIVMMHXKITO-HZPDHXFCSA-N 447.540 1.498 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2ccc(C#N)cc2F)C1 1443562066 FGLUMTJYXJZSJG-OAHLLOKOSA-N 425.482 1.738 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1460855188 CASPDVNBQKKYEI-GBXCKJPGSA-N 447.495 1.820 30 10 IDEE N#C[C@]12CN(C(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1463163193 MCIBZYPRSOULND-JNKZXAJXSA-N 427.526 1.335 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(C)C)c2ccccc2OCC)CC1 1469199640 KUMVVCGXGLIDJY-IBGZPJMESA-N 436.578 1.967 30 10 IDEE C#CC1(O)CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1470365437 AYUICNSAYVLZSC-LJQANCHMSA-N 436.530 1.138 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)[C@@H]3CN(C)CCN3C)c(C#N)c2N)cc1 1471602838 SYQFKGNZDVEFRD-UWJYYQICSA-N 438.580 1.501 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)c2ccccc2CC#N)CC1 1474958077 FDYYZCPSIULCFQ-UHFFFAOYSA-N 448.570 1.167 30 10 IDEE C#CC[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1475838805 NSHYBFVTVFSCDI-GOEBONIOSA-N 425.532 1.029 30 10 IDEE C[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1 1479444932 DVRXGGXHJQCRSI-NSHDSACASA-N 432.278 1.953 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C 1492320238 HRRPKVSFBVJXNZ-QVKFZJNVSA-N 447.561 1.619 30 10 IDEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1496132751 DVYVDDAHTJRIML-GOSISDBHSA-N 439.564 1.842 30 10 IDEE COCc1nocc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1504660520 TWJWDKLXWMVJNC-ZDUSSCGKSA-N 437.526 1.201 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1507518619 MAZHWJVGVAEURR-MBSDFSHPSA-N 440.548 1.668 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507591364 KZIHGBUCMUNDIO-MSOLQXFVSA-N 439.582 1.072 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507622633 JXYNSVRDLBLLMG-ZACQAIPSSA-N 439.582 1.104 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCN1CCC(O)CC1 1507671160 DVVSCVLMDRVCER-UHFFFAOYSA-N 426.590 1.944 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1507690375 RRXQONRNQANBFT-GOSISDBHSA-N 435.525 1.452 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507960125 KOVVDSJIHLUBCK-CQSZACIVSA-N 441.458 1.776 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H]1CC 1508145262 LFHBHFIKIUNFIY-ARFHVFGLSA-N 430.596 1.406 30 10 IDEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1511375945 ZHXLCKZCSZITJR-UHFFFAOYSA-N 427.530 1.913 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nncnn3)cc2)ccc1F 1531031254 XUZFNIIGHCFBQY-UHFFFAOYSA-N 428.449 1.467 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1539408040 YWNCJIPIUFLOPM-UHFFFAOYSA-N 446.515 1.676 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1539416683 RMWPFHNPXMOAAM-SQNIBIBYSA-N 439.582 1.133 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539520751 UEHVXFVNNTURJZ-UHFFFAOYSA-N 434.591 1.148 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1539539725 XTBPONYLAKVDIW-YCRPNKLZSA-N 447.609 1.787 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1539547127 RRRGWYVCCBZNOU-LJQANCHMSA-N 449.964 1.925 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539710304 OBIFBPVRTCFKNH-UHFFFAOYSA-N 429.550 1.611 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1539722784 RQAOKJYDJILFGL-UHFFFAOYSA-N 433.557 1.393 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1540872554 SIQARKPMBMZJCQ-UHFFFAOYSA-N 430.940 1.787 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCN2CCOCC2)cc1 1540877746 DTMMERZFRVNIIT-FQEVSTJZSA-N 440.548 1.611 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNS(C)(=O)=O)C1 1540889061 DMJYKGUOUOVPOB-MRXNPFEDSA-N 444.561 1.767 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540899517 QVLVHPBTECXKTI-GOSISDBHSA-N 443.529 1.807 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1542446325 GNWJKJGCKCPCHT-QGZVFWFLSA-N 447.561 1.844 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(O)cc1 1555663376 LBHSZCHHUBBSJL-VQIMIIECSA-N 426.521 1.933 30 10 IDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C#N 1565327217 RCRYZENQLMLPTH-UHFFFAOYSA-N 443.485 1.991 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(CC)c2)c1 1568450438 VMPZQSXNQHCSQQ-VKGTZQKMSA-N 433.555 1.646 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588053390 DQUMKTCVSBKSGN-QZTJIDSGSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1588055178 SRYFMHIESMYPPE-SFHVURJKSA-N 433.578 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1588166368 FGAHDEVQDCYHCB-SFHVURJKSA-N 442.541 1.763 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1588244310 FPPFPBJPFATQKQ-NVXWUHKLSA-N 445.951 1.623 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1588646662 LOJZBJLASDIFKZ-GOSISDBHSA-N 446.573 1.542 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1588885694 YJRRUHUZMXOIPX-IEBWSBKVSA-N 442.564 1.031 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1589069411 KTEJONBLLMOESL-INIZCTEOSA-N 439.563 1.207 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1594535042 SATIZLREEATAOH-JFIYKMOQSA-N 426.560 1.076 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595550595 GDAJVKGQHVDIQG-OAHLLOKOSA-N 428.468 1.077 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595555963 LFXZGGHKZIPFPA-OAQYLSRUSA-N 428.468 1.341 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602739 PKBRBIDZWNVQFP-VGOFRKELSA-N 443.552 1.348 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C1CCC1 1595758853 CJPNPMGMABCIFE-ZBFHGGJFSA-N 445.611 1.258 30 10 IDEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CCOCC1 1607180092 HITSFZQHYYFGCW-UHFFFAOYSA-N 426.926 1.572 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1612927550 RLIFXTBKWAPRQS-RMYFCYLKSA-N 425.518 1.808 30 10 IDEE CN(C)[C@]1(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)CCSC1 1617659122 CUYABTGHBOEROG-NRFANRHFSA-N 431.610 1.968 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)C1 1620345591 GADKCNNZQYKICM-OAQYLSRUSA-N 440.483 1.770 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CCC2)C1 1624913313 UDXRWZSVICQMPL-UHFFFAOYSA-N 441.532 1.754 30 10 IDEE O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NCCN/C(O)=C1/N=CC=CC1=O 1628386269 SBXHDJNEJBDFAC-UFZXGQNFSA-N 433.262 1.518 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)s1 1630920964 FNCGFVLUGGNTOK-INIZCTEOSA-N 443.591 1.145 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)NCCCC)CC3)n[nH]2)c1C 1631234993 MTXOICROVKOMKB-UHFFFAOYSA-N 427.553 1.750 30 10 IDEE C#CC[C@@]1(C(=O)N[C@@H]2CCN(c3nc(C)cc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1634684167 UAXNZACMRZOQRT-ZHRRBRCNSA-N 429.521 1.979 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C(F)(F)c1ccccc1C#N 1638978244 XPSKGWOKRKONGU-UHFFFAOYSA-N 427.404 1.974 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C[C@H](O)c1cccc(C#N)c1 1643726052 UWRNQAJQOTWRGM-XOBRGWDASA-N 428.514 1.149 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1644088323 PHFNWILVMXTOHZ-INIZCTEOSA-N 431.489 1.785 30 10 IDEE CCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1644156032 DEQXAQMYOJHGCQ-ZXYWRSMDSA-N 425.514 1.866 30 10 IDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1644563325 CCHACUZXEGBKFU-OAHLLOKOSA-N 426.491 1.140 30 10 IDEE COC(OC)C(=O)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1647549616 SKWHTZDIYLZDNT-AWEZNQCLSA-N 434.562 1.979 30 10 IDEE C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1655405244 FYMUYQKIWNWLEQ-JKSUJKDBSA-N 442.607 1.684 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)cn1 1664349438 ULHOCYQDWZEQIX-UHFFFAOYSA-N 428.436 1.606 30 10 IDEE Cc1c(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)sc2ccc(C#N)cc12 1666284733 CYUQLEHNVFRARD-UHFFFAOYSA-N 448.570 1.247 30 10 IDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1682492569 AAXMXTXVQXHKQX-GOSISDBHSA-N 444.536 1.811 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1689847355 YAFWTMGYJGJDHH-SFHVURJKSA-N 430.516 1.542 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1689885474 JQNKXZZACSPECU-GOSISDBHSA-N 435.536 1.880 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1690019397 HKOFRXGGEHKQBA-ZWKOTPCHSA-N 445.520 1.075 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)OC(C)(C)C 1690030491 VXQXMNDKZIXESR-ROUUACIJSA-N 431.537 1.990 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1690122160 IQDVUCCLLHYBAJ-RBUKOAKNSA-N 427.597 1.495 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOC(C)(C)C)CC1 1690137481 AGIYMZPOWSYJJN-QHCPKHFHSA-N 447.580 1.711 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([S@](C)=O)CCC2)CC1 1690146570 QYFUHVVEURQILZ-DRKIFQHWSA-N 447.605 1.787 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)C(C)C)CC1 1690150463 IPVVZRFTHKFDBQ-UHFFFAOYSA-N 437.592 1.960 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1690210691 IBVKEMINARQWDD-FOIQADDNSA-N 447.586 1.696 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1690236495 NNOKYNFDZXZWKA-HKUYNNGSSA-N 439.520 1.575 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1690243565 MNNBXAHXWHBRLR-UZLBHIALSA-N 428.537 1.986 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1690398808 HGKBVPRFRVAQHW-AEFFLSMTSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690667829 JPTUJYGTJNEWTJ-UHFFFAOYSA-N 437.552 1.032 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690715041 BIXNWBBFASNFAE-OXQOHEQNSA-N 436.582 1.878 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690975905 PHHQPSIDIRDMFS-UHFFFAOYSA-N 445.531 1.768 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1690982666 KBFWSCDZYVFISH-IBGZPJMESA-N 449.519 1.725 30 10 IDEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1694709525 NNLKPZDYVROHKW-SIKLNZKXSA-N 443.573 1.721 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@](C)=O)CCC1 1696331763 JKYGEVPLOAJWSS-HKBQPEDESA-N 443.577 1.709 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1696749863 LLANSCGCGDWENF-XOMICKMZSA-N 437.504 1.872 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1698193170 VCQCBJZXRMLYHO-DENIHFKCSA-N 427.505 1.600 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccco1 1705481377 FQECUMATSSFGSN-HNNXBMFYSA-N 441.513 1.830 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1705571680 FPDBSPFODSOIBK-LSTHTHJFSA-N 444.557 1.858 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccnc(-n3cccn3)c2)n1 1705631411 CYZBVZPSBOWXPS-UHFFFAOYSA-N 431.504 1.698 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)CCOC)CC1 1705649306 SIOPUPWNYXGPFU-QFIPXVFZSA-N 426.521 1.093 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1706670816 MLQPXYWOOSDFGV-SFTDATJTSA-N 428.493 1.533 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709907595 VRVHNYQAKVGGOT-QGZVFWFLSA-N 428.566 1.289 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710746437 XDQXBEFVRKRCEZ-JFVSRZABSA-N 444.414 1.109 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1722275619 CTEQRAHFFZXHJG-FPTDNZKUSA-N 427.505 1.907 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1722316777 MKEIKBLNBCNQHE-FQEVSTJZSA-N 449.621 1.532 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 1722316898 NYQASUJWYWCYRL-ROUUACIJSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1722390614 SQIVAVUSYBSPEG-QGZVFWFLSA-N 429.546 1.603 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)CC1 1722429804 SGNPXRDQTUTVBD-UHFFFAOYSA-N 444.580 1.103 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CC2)CC1 1722452445 GUJGIPXSYQKBCX-UHFFFAOYSA-N 425.562 1.824 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OCC)n2)CC1 1722553849 CSONZBBYIQVZGU-UHFFFAOYSA-N 446.943 1.668 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722554739 HDQYNJYKVCRFIW-GJZGRUSLSA-N 427.958 1.524 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2)CC1 1722566610 VMZJEQBMVIHQEM-LJQANCHMSA-N 447.561 1.824 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC)C1CC1 1722650522 CXHBMLJPIMFHMC-CQSZACIVSA-N 434.566 1.688 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1728256837 ASAQSLUMEHUZQS-HDICACEKSA-N 439.564 1.840 30 10 IDEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1730287870 YWSSMCWYMFGZGF-HOCLYGCPSA-N 425.493 1.604 30 10 IDEE COCC1(C)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1730502613 FLSRPHAYIPLTCS-QTIQAUKSSA-N 444.536 1.909 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnnn1CC1CC1 1740601925 NKKBSPYMPNLLSP-UHFFFAOYSA-N 430.314 1.560 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740627851 SWAHJQYIJXFSBZ-MSOLQXFVSA-N 447.561 1.646 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1740659855 WTSVDQQRWKJEGY-ZPGVXSSASA-N 441.576 1.862 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740765716 BXLXLSKNCHZOSR-LQWHRVPQSA-N 438.594 1.869 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740988761 OSFRHUWXBLPDSN-DLBZAZTESA-N 443.485 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740991757 CXMGJYPNJCLIDQ-IRXDYDNUSA-N 439.582 1.268 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748812817 ZYUBJQIENIXBPZ-OXQOHEQNSA-N 430.534 1.177 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(=O)C(C)C)CC1 1748993508 ZWDPQGUHIBLAGD-UHFFFAOYSA-N 426.540 1.926 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCS2(=O)=O)CC1 1748993967 SGQYYMVKIHSNDU-GOSISDBHSA-N 448.618 1.356 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccoc2)CC1 1749003411 JDFYCQPFVNYTIN-JOCHJYFZSA-N 427.505 1.537 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749230041 TVLSQUXHSWQWCX-IRXDYDNUSA-N 444.540 1.297 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749651138 OFEYLCIULZMOSQ-ZBFHGGJFSA-N 443.483 1.073 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749755756 LGTGNEYBWDTIOG-RDTXWAMCSA-N 441.579 1.130 30 10 IDEE COCCOC1(Cn2c(-c3cccn3C)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1750028609 XRHWVNYITRWLMS-HXUWFJFHSA-N 432.500 1.938 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1750211128 DKEWJJYFCBLVDU-UHFFFAOYSA-N 444.561 1.640 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C 1760173964 ZXUHAPJYLKFVNG-UHFFFAOYSA-N 427.534 1.355 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760189851 MHVNVDQNTPGWSW-OALUTQOASA-N 429.546 1.460 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1760192074 QDUDFGJENIIURG-INIZCTEOSA-N 447.586 1.331 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)N1CCOCC1 1760196429 NHMFLHFUSJNXMP-UHFFFAOYSA-N 428.496 1.733 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCc1ccco1 1760208304 AIQLOKMEOBDJSL-UHFFFAOYSA-N 431.456 1.298 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc(Cl)cn2)CC1 1760397335 QUPIZOCJNRYWHK-ZDUSSCGKSA-N 427.962 1.841 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C)C1 1760551244 YIRZXYDZLLLCSV-GFCCVEGCSA-N 444.355 1.862 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)COCCO1 1761036357 RGWMCNUZNFQDGB-QFIPXVFZSA-N 425.537 1.875 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCOC1(C)C 1763258123 ABHAWWUQXSXQOK-HNNXBMFYSA-N 434.504 1.974 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1763401733 HRDWAOJEUDVXDA-ITSWEJNFSA-N 440.548 1.955 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCOC1 1766993542 AAQQNLPEYJVGNK-VQTJNVASSA-N 440.548 1.801 30 10 IDEE CN(Cc1ccoc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1767152120 RHYBEJYJMZVKDI-QGZVFWFLSA-N 446.489 1.353 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1767936755 XTIYJPWGEVXPHJ-RBUKOAKNSA-N 426.521 1.553 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1768445414 PCJLABRKWUZGHA-XOMICKMZSA-N 438.488 1.705 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC1 1768464879 XXWXQDIUUKHPJJ-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1769193390 DCCFUPYIOISRLI-WMLDXEAASA-N 432.912 1.873 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCC2)CCO1 1769241662 CHCJCBOMWDYMQJ-IBGZPJMESA-N 437.548 1.642 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1769586296 GLJNKJLAZDJYGU-KRWDZBQOSA-N 434.504 1.880 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1772516215 ZWTJKIJWPYSKDP-IBGZPJMESA-N 437.525 1.626 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NC 1772522838 FRWQHDRCAZZKJK-JOCHJYFZSA-N 433.520 1.685 30 10 IDEE COc1cc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nc2cc3c(cc12)OCCO3 1851824394 JDBZEBGYFZTSJS-UHFFFAOYSA-N 432.440 1.639 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1851961340 FHJRWJMPMKGAKI-QGZVFWFLSA-N 446.573 1.663 30 10 IDEE COc1ccc(CC(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)cc1 1855986852 GPGLPSVIASHUDD-UHFFFAOYSA-N 427.482 1.888 30 10 IDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@@H]2OCCc3ccccc32)c2ccccc21 1856894249 DNERDHNUEVPMNX-HXUWFJFHSA-N 425.466 1.924 30 10 IDEE COC1(C(F)(F)F)CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC#N)CC1 1856930198 WRICWTFQJVXUSM-UHFFFAOYSA-N 445.419 1.748 30 10 IDEE N#Cc1ccccc1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1866586178 GLNNVEBDRFHJOY-UZLBHIALSA-N 441.509 1.755 30 10 IDEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155605 VWPLTMJERLBBIF-UHFFFAOYSA-N 435.331 1.421 30 10 IDEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1OC 1874342092 ZFJFQMXVVPQJEY-FPQGOQEYSA-N 433.534 1.986 30 10 IDEE COc1ccccc1OCC#CCNC(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 1889402848 GRDPJHVKWVSPIN-INIZCTEOSA-N 443.525 1.552 30 10 IDEE CN(C)CC#C[C@H]1CCCN1C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1 1890196290 YQVVHVRNCVRTBX-IBGZPJMESA-N 447.539 1.257 30 10 IDEE C#CCNC(=O)CCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2014935067 BDOPJSXLXDPXIC-KRWDZBQOSA-N 431.489 1.269 30 10 IDEE O=S(=O)(N=C1C=C2N(CCO)CCO[C@]2(O)c2ccccc21)c1ccc(Cl)cc1 2041194830 MNTPHSUBFKHGSB-HXUWFJFHSA-N 434.901 1.885 30 10 IDEE CC[C@@H](C#N)N1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2145995605 NKBYRFMVAJXDEC-KRWDZBQOSA-N 432.546 1.702 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2251306235 JZXCYLZBKPAYNK-MYSGNRETSA-N 444.359 1.324 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)n1 2255607820 DKJWIJAITSIQDZ-UHFFFAOYSA-N 445.276 1.004 30 10 IDEE Cc1c(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834488 NTLNGNRJJPKHEO-KGLIPLIRSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2255882445 OSOZXKNBWRJOJC-UHFFFAOYSA-N 430.314 1.469 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267195916 MMVYDDFLTALGPR-YJBOKZPZSA-N 446.353 1.943 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@H](NC(=O)OC(C)(C)C)C1 2267271395 RQNXEBWTQPZEQM-MRXNPFEDSA-N 449.357 1.690 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267540610 TXJJBNBSRVPASN-BFHYXJOUSA-N 447.345 1.242 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 2296623235 JIPPHVCPVRLHEZ-LJQANCHMSA-N 425.489 1.186 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2315534310 OHVJFMYOCHPTEA-WDNDVIMCSA-N 432.330 1.314 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2315636990 BWBNYRWDCQDHGJ-INIZCTEOSA-N 445.350 1.757 30 10 IDEE COc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(OC)c1O 2322614677 QCDCACYWBLYNRW-LLVKDONJSA-N 442.881 1.425 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COS(=O)(=O)O 2333114461 HOGQKHLSLTVXHT-QKXXUVGISA-N 440.514 1.385 30 10 IDEE CS(=O)(=O)C1(C#C[C@]2(OCC(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)CCC1 2367787402 LNNGUKXUILQPFQ-DYESRHJHSA-N 435.498 1.886 30 10 IDEE CCOC(=O)/C=c1\s/c(=C\c2ccc(C#N)cc2)c(=O)n1CC(=O)N1CCCC[C@@H]1C 9119929 YRPGJWIBXGTEJV-GLKJHAMXSA-N 439.537 1.355 30 10 IDEE COc1ccc(CCNC(=O)[C@H]2CC(=O)N=C(NN=Cc3ccco3)S2)cc1OC 254380995 QJVCLBRRWHPURU-QGZVFWFLSA-N 430.486 1.967 30 10 IDEE C/C(Cl)=C\Cn1c(NN=Cc2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C 254742031 KRVZVPVSLLQPFI-BQQGYQEUSA-N 431.840 1.931 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCN2CCN(C(=O)C3CCC3)CC2)ccc1C(F)(F)F 409507367 MRGVSOQFBWPHFZ-UHFFFAOYSA-N 444.479 1.800 30 10 IDEE COC(=O)[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 428567514 BRXYMNBLXZZHSZ-RBZFPXEDSA-N 433.461 1.569 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(OCC4CCCC4)CC3)n2)cc1 435464138 KGEOOPPWTAHMDY-UHFFFAOYSA-N 436.516 2.334 30 10 IDEE C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)OC 435945089 UMPZGQHRNVLGAI-KRWDZBQOSA-N 439.534 1.011 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3snc(C)c3C#N)c2)CC1 439295128 HHRNQAYATRXJAQ-UHFFFAOYSA-N 433.515 1.428 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3ccccn23)CC1 460775750 TZDAYWNKVFQZGU-OAHLLOKOSA-N 444.565 1.891 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 463081788 FZWSKKAHGKYYMY-FDDCHVKYSA-N 429.517 1.834 30 10 IDEE CC(C)N1C(=O)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1(C)C 464389873 ZUROVRYMSXURLY-KRWDZBQOSA-N 425.489 1.621 30 10 IDEE COc1ccc(NC(=O)COc2cccnc2C#N)cc1S(=O)(=O)N1CCOCC1 477058073 OIMPRONMKSKVDQ-UHFFFAOYSA-N 432.458 1.000 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1cccs1 480214258 GCDQLXDSWUDWNS-UHFFFAOYSA-N 437.546 1.381 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 483474230 JMMCOCWJHZEAPP-INIZCTEOSA-N 447.561 1.438 30 10 IDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 506028646 WUWWDOWSOUDSJQ-UHFFFAOYSA-N 430.574 1.634 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)cc2C1=O 523170844 FZTFCLYBWFHLOA-QHCPKHFHSA-N 432.436 1.453 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)n1 564783081 BELUEROUZCBRLO-UHFFFAOYSA-N 446.532 1.487 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)c(F)c1 586850066 BHPMLZFXOAZVSQ-UHFFFAOYSA-N 437.475 1.169 30 10 IDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c1 732648695 SVJOZKYUILXWIT-LJQANCHMSA-N 426.517 1.755 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)C[C@@H](C)O1 746151671 ABBJAXGZMUTQJI-LEXKCHRASA-N 426.473 1.791 30 10 IDEE COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N 746877157 NUBREFNXXXBFNP-UHFFFAOYSA-N 445.497 1.713 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 756911457 JXOHFRKNLSUSLI-UHFFFAOYSA-N 434.518 1.306 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCO)C(=O)O 757240019 AVZVMANQYDCABA-NHCUHLMSSA-N 436.464 1.869 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)CCN1C1CC1 759013333 MGJXXYYHXALHJP-FQEVSTJZSA-N 444.499 1.254 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CC3)c2=O)c(C)n1 781658728 UGDBLDPMCCBXRF-UHFFFAOYSA-N 426.542 1.540 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)cn1 784125203 NMXOFPKASPBTTJ-RDJZCZTQSA-N 436.582 1.329 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 794584778 KXGGDHUKFHWYMH-UHFFFAOYSA-N 442.585 1.089 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)ccc2c1=O 800668127 SOPJMSWRQYNXME-ZFWWWQNUSA-N 436.559 1.319 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807249710 DGHDSHYYROAXBK-MRXNPFEDSA-N 446.554 1.443 30 10 IDEE CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(S(N)(=O)=O)cc1 916358857 VVGCNTVYSPNZIS-UHFFFAOYSA-N 437.547 1.740 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1Br 917352593 GXUAPSKJYDMDJT-AWEZNQCLSA-N 446.326 1.887 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2ccccc2CC#N)c(N)n(Cc2ccccc2)c1=O 917932149 WYJSBQFCKSOSCF-UHFFFAOYSA-N 446.463 1.766 30 10 IDEE Cn1c(=O)c2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)sc2n(C)c1=O 1127911244 AQGZMGKSZDSWNY-OAHLLOKOSA-N 437.481 1.096 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1133904397 GNYCJIPEWMXERF-UHFFFAOYSA-N 430.527 1.087 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](S(C)(=O)=O)C3)C2)C1 1138059664 RVKCAKDMBIBQMU-SIRSKZSMSA-N 425.551 1.809 30 10 IDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)COC1 1138181468 UUWHGCUEDJWNGG-QGZVFWFLSA-N 428.489 1.854 30 10 IDEE COCCN1[C@@H](C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C 1143202908 KTNDUTWLFGXKAI-FCEWJHQRSA-N 427.505 1.331 30 10 IDEE C=C1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2I)C1 1147025399 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445.593 1.814 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2)C1 1286810493 RYSPFWKMRKRUFN-OALUTQOASA-N 437.610 1.838 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CCO1 1286940218 ALHXWHPVYTVDGO-SESVDKBCSA-N 438.532 1.709 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1286968174 OQUNOBBWAUQDPI-DJJJIMSYSA-N 439.488 1.293 30 10 IDEE CCN(CCCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)S(C)(=O)=O 1295807348 PWUSWWAENDLXRT-UHFFFAOYSA-N 447.565 1.608 30 10 IDEE CCOCc1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1297116964 HAKPAYQERJMQGP-ZUIHOSHSSA-N 429.525 1.014 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1298024049 HGXYAELYFPSAKW-OALUTQOASA-N 428.562 1.780 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1298101557 FYWHPDBXBSPGGV-LJQANCHMSA-N 431.497 1.760 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](C(F)F)N1CCOCC1 1300319797 CZRSTQVRSGUDGF-WMZOPIPTSA-N 435.523 1.954 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1300392628 DNEOWVFAWATBAA-CTNGQTDRSA-N 443.525 1.821 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1300556533 IOAISTCNJMZQQS-VGSWGCGISA-N 441.557 1.185 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](F)COC 1300560962 JZUJNGBDZPFJKT-GOSISDBHSA-N 447.536 1.643 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(C)(F)F)CC1 1300716843 SPCMCAWQHJUNPI-NRFANRHFSA-N 439.507 1.941 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)nc2)C1 1301538216 GHFHSAXTBFRKHH-DZGCQCFKSA-N 440.957 1.766 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1301565401 BZVKCFBFQRVJJN-SJORKVTESA-N 425.493 1.033 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1301947793 FWPBFJRCNJZHLQ-INIZCTEOSA-N 444.561 1.703 30 10 IDEE CN(C)CC#CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1302294839 BZKXAFPXJVVGHM-UHFFFAOYSA-N 428.352 1.528 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[C@H](O)C2)cc1 1302993935 HRDBZMXRALHKJC-QYZOEREBSA-N 438.532 1.982 30 10 IDEE COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C(=O)N2 1304126271 ULIPMMTWLGTYRO-FXAWDEMLSA-N 446.463 1.767 30 10 IDEE C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1305085066 MUEDUOLHYAAYEO-VPYQGPKWSA-N 427.509 1.238 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CC(=O)NC1(C#N)CCC1 1307915627 VOPVLQZSJOTOEI-OCCSQVGLSA-N 432.443 1.402 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)C2)nn1 1310162551 QZPHICRWRDUXBY-PYCFMQQDSA-N 445.505 1.382 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@H]2CO)CCO1 1316537710 DWKNTPZWPILDSI-ROUUACIJSA-N 445.955 1.959 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2=O)cc1 1321272327 ABNVKGUBPOBRRJ-RTBURBONSA-N 432.480 1.707 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1358960742 KVIYHAAEGONQNJ-ROUUACIJSA-N 430.578 1.395 30 10 IDEE C#CCN(c1nnc(CC)n1CC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358963537 JUFZTVAKEYQOFX-LJQANCHMSA-N 449.621 1.502 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OC)c2)CC1 1359030819 GXMKVDJRXSYQJM-QHCPKHFHSA-N 425.533 1.742 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359096775 GRPAIEMVRLCIFJ-VGUOSERISA-N 441.532 1.990 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359141420 GMSLLKZELFAEHK-UHFFFAOYSA-N 439.929 1.150 30 10 IDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1359243518 UPMVBNQVZUDKIE-UHFFFAOYSA-N 426.565 1.858 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1359292684 VXCPFYYXHUIJCI-KBPBESRZSA-N 438.529 1.527 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(CC(N)=O)CC1 1359302381 FUVDMOCRZDZUMO-UHFFFAOYSA-N 426.521 1.272 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359305027 QYEONYOEGLPMRS-MJGOQNOKSA-N 429.521 1.708 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN(C)C1CCCCC1 1359466665 FQIFHIXAHIVCTI-HOTGVXAUSA-N 425.603 1.749 30 10 IDEE CCOC(=O)[C@H](COC)N(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1435926107 FIJDHTQCHNRLAS-ROUUACIJSA-N 442.472 1.332 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3cc(I)nn3C)CC2)c1C#N 1460654172 YFGUYQDWWIDJPD-UHFFFAOYSA-N 442.286 1.624 30 10 IDEE CCOC(=O)[C@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCOC1 1461895456 DXZVDTDJDLQTDW-JTSKRJEESA-N 442.472 1.239 30 10 IDEE Cc1nn(C)c(N2CCN(C[C@]3(O)CCCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1473392323 BCLZGRTWGSDLDZ-QFIPXVFZSA-N 432.569 1.874 30 10 IDEE N#Cc1cn(CCNC(=O)NCc2cc3cc(Br)ccc3[nH]2)c(=O)nc1O 1478386948 HAAAIXZATHNFOP-UHFFFAOYSA-N 431.250 1.564 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)CC(F)(F)F)cs1 1492681895 KEKRFKOMBJSXQS-AWEZNQCLSA-N 429.472 1.857 30 10 IDEE CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1501526830 DRUCJNLYNNCBNJ-CABCVRRESA-N 437.522 1.528 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1502674630 MKURXVKPUTWJKD-HCZVTKCGSA-N 430.509 1.303 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2[nH]c(C)cc2c1 1507617321 SYTBYLBAKKOBDN-LJQANCHMSA-N 442.545 1.518 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507623685 VQPFLBIPGIZPKX-JKSUJKDBSA-N 444.623 1.632 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507631942 VPBITMJRESPMSU-HNNXBMFYSA-N 431.547 1.119 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)Cc2ccccc2)CC1 1507715576 DMTKQPYYLPQGED-UHFFFAOYSA-N 449.603 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2c(CC)nn(C)c2CC)CC1 1507740441 AFSFEUSOWMHTAT-UHFFFAOYSA-N 441.580 1.687 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507829524 ATMGGNZBCVVGSF-OTWHNJEPSA-N 443.596 1.432 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(OCC)cc2C1 1508070715 BQYRLPBOGNCCKC-UHFFFAOYSA-N 426.521 1.680 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508094635 HVRSWZRQCYANIJ-PKOBYXMFSA-N 438.532 1.823 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1508111791 JALXUWFWPGNAHZ-DLBZAZTESA-N 432.550 1.403 30 10 IDEE CC1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1512338584 SDZFGHHXJWNXIV-IBGZPJMESA-N 429.569 1.641 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC(=O)N1 1513020426 OYMAKDXPTKTOPS-GDBMZVCRSA-N 425.541 1.310 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1517245320 UBZSNWABRAQTDG-JOCHJYFZSA-N 427.505 1.803 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519522310 LBGSKBNLKUEFJA-HNNXBMFYSA-N 435.941 1.215 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1539013703 JMOFDSUQDBKFDM-JKSUJKDBSA-N 425.555 1.028 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](COC)C1 1539068406 UVTVTCGUXKLDRK-QGZVFWFLSA-N 446.577 1.893 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539126168 UEVJZYUQWHMTPM-SQNIBIBYSA-N 437.566 1.030 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539230184 CGTPCJQCKLSYRV-ZIFCJYIRSA-N 447.561 1.652 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1539290686 KKMOKNRRMYFVQI-KRWDZBQOSA-N 440.529 1.213 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1539318468 RPGQNPARVJGLKQ-KRWDZBQOSA-N 437.500 1.766 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C)C1CC1 1540107499 BFYYTOWKWPZBRU-SJLPKXTDSA-N 438.598 1.250 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1541968642 FNHBDXDDEUQVAZ-FZDIXFNVSA-N 431.468 1.826 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(C)nc1I 1544571213 BNSRCNOQCMMNKU-SNVBAGLBSA-N 437.245 1.037 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1555686684 RORANLKSFYFEKS-SJLPKXTDSA-N 447.561 1.992 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc(CC4CC4)n3CC(=O)NCC(F)F)CC2)cc1 1555989285 FNPZTARYQAGTFW-UHFFFAOYSA-N 443.502 1.806 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(I)n1 1556132015 BUBFALROAOCFOJ-GXSJLCMTSA-N 445.261 1.514 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(C)(c3nnc(-c4cccnc4)o3)C2)c1 1557582327 RGWDPIXQKXKZEW-UHFFFAOYSA-N 437.481 1.457 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(OCc3ccccc3)cc2)CC1 1558073590 WHXAYGQBPUJXOL-UHFFFAOYSA-N 443.525 1.256 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)cc(I)c2)CC1 1568701152 HBFWWBHIIYMUGM-UHFFFAOYSA-N 425.270 1.107 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N(C)CCOCc2ccc(C#N)cc2)[C@H]1c1nccn1C 1584099035 CKRVVBVTIGPYDC-PMACEKPBSA-N 425.489 1.255 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F 1587661961 KFDMMJDWVKZDIJ-LLVKDONJSA-N 428.440 1.406 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 1588199181 IILPWXNHULZTJH-UHFFFAOYSA-N 442.472 1.859 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCCO2 1588639041 YOOAWFACAAUIPP-QGZVFWFLSA-N 425.489 1.525 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1588864947 MQBWFMSNKXDFPM-QHCPKHFHSA-N 436.516 1.289 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCOC2)C1 1589110704 YRHXCNNQMLXEMP-FQEVSTJZSA-N 447.586 1.632 30 10 IDEE C=C(C)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593684104 SQUCXSROIDVSJN-HTAPYJJXSA-N 446.552 1.661 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1595178140 GMECKJOMVTXUCT-HUUCEWRRSA-N 431.584 1.034 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1595522641 HOTIETNDYAUWRG-INIZCTEOSA-N 427.553 1.953 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1595595428 UPPFUCNTKVHDMB-UHFFFAOYSA-N 430.484 1.357 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595821459 BSVBSASUMNIBCY-QAPCUYQASA-N 436.582 1.602 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1611633424 FNYSYUOZGMQPQO-KUHUBIRLSA-N 435.575 1.554 30 10 IDEE C#C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C1CCOCC1 1618323359 SYIPPMKFIMUJDM-KRWDZBQOSA-N 432.546 1.301 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1 1619553245 IBGPYSLNGXYBNC-QHCPKHFHSA-N 440.548 1.955 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1619671114 XBESXUADVHTJLY-HSZRJFAPSA-N 438.532 1.578 30 10 IDEE COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1619919338 SJYOSBDJEHCEOL-ZWKOTPCHSA-N 431.518 1.276 30 10 IDEE C#CC[C@H](NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1)C(=O)OC 1629617618 VHDOBTGDJOWAMX-JTQLQIEISA-N 440.275 1.975 30 10 IDEE CCN1CCN(CC(C)(C)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1630153568 GFWCWKIEPZGRNY-MRXNPFEDSA-N 435.594 1.036 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccc(OC)c3)cn2)CC1 1632961064 SFWRGCCBRKFEFM-UHFFFAOYSA-N 430.486 1.108 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(I)n1 1634589270 YCJKCRUQFHSBAX-AWEZNQCLSA-N 449.252 1.427 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1635698794 VGMNEHAXIBPISI-DQLDELGASA-N 433.530 1.823 30 10 IDEE CS(=O)(=O)N1CC(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1639782882 PLPBOFSAEZUCAT-HTQZYQBOSA-N 430.317 1.507 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1650672485 LXSYOJBDLADEPP-MOPGFXCFSA-N 426.517 1.905 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 1650846406 VPXFQZHTKZLISK-UHFFFAOYSA-N 438.509 1.363 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c(=O)n1C1CC1 1652152028 CUDKYOPWSAYTHF-UHFFFAOYSA-N 442.497 1.120 30 10 IDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1655843825 JMDBBDRIROBAJD-RTBURBONSA-N 437.585 1.246 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1657564025 HFNYTZUADPGXOA-UHFFFAOYSA-N 441.937 1.743 30 10 IDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CCOCC1 1682417132 WPDRLVNLQPDOFD-AWEZNQCLSA-N 434.345 1.999 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1689984362 OEEYRIXZRCIIHU-QGZVFWFLSA-N 448.545 1.626 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](COC)OC 1690029603 DXOUEFQMGWSTGK-KSZLIROESA-N 431.537 1.783 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOCC1(C)C 1690082795 OWPHTHGOVRMMAX-UHFFFAOYSA-N 430.578 1.840 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(OC)CC1 1690729874 UMWJBJHAQJFBRE-HXUWFJFHSA-N 439.582 1.397 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1691178752 YLOGZBKTZHHTOE-KRWDZBQOSA-N 425.537 1.953 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC#N 1695910916 FVRWPDAZEHEGRN-HNNXBMFYSA-N 436.524 1.821 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1697956031 XGFSJDIWECBCAB-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1698060791 HADKNWHEYFVGEL-QGZVFWFLSA-N 431.541 1.388 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698494579 WXJATGHYVQFDIK-WMZOPIPTSA-N 435.463 1.552 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1705490177 DGLZWBAYPFLRBZ-OAHLLOKOSA-N 442.545 1.738 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(C)c2)c1 1705504942 GLFPPHWOZQJNKY-GOSISDBHSA-N 432.488 1.067 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1705571146 WFXOUWVZVBHNFR-QGZVFWFLSA-N 430.530 1.029 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(C)(C)C)cs2)CC1 1705638500 MSYXCHUWYLVKFO-HNNXBMFYSA-N 427.578 1.787 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1705899188 KMGJHQFHLUVQPC-UHFFFAOYSA-N 449.559 1.668 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1705899908 KHYNWGGEIJJQMR-UHFFFAOYSA-N 429.488 1.859 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1711961393 JOQNGCHEUWUSJY-MRXNPFEDSA-N 433.534 1.897 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(=O)OC)C2)cn1 1712465118 HHCGEFKFDGHJRU-LJQANCHMSA-N 435.488 1.707 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCC(C)CC1 1712561197 HHKOHMJABIUEOL-FPOVZHCZSA-N 445.612 1.911 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1712611794 NWJBNMHLPWFEAZ-KRWDZBQOSA-N 426.521 1.927 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2CC)c1 1722309150 JWAFXDUMEUREMG-WOJBJXKFSA-N 449.559 1.770 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1722324615 VGTPUSBXYHZLRU-HNNXBMFYSA-N 435.529 1.162 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1722387180 IEPXKNHUWUVKJB-QHCPKHFHSA-N 431.500 1.399 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1722435006 DJWPQJSDQKMLAU-UHFFFAOYSA-N 430.578 1.396 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1722447340 KJMGIPVSLJAERS-MRXNPFEDSA-N 437.504 1.259 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1722473430 DAKQYJKEXWHCED-QFBILLFUSA-N 435.575 1.713 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722534735 QNCVEFMYCJFHQN-GOSISDBHSA-N 440.552 1.910 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCN(C)C 1723330748 LDYFSZKLYQZJQQ-UHFFFAOYSA-N 426.569 1.648 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1723778553 GUDBXKZNJINJEZ-JKIFEVAISA-N 439.476 1.517 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1727569427 UOIUJKXXCSITQG-QGZVFWFLSA-N 449.490 1.859 30 10 IDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1729985858 IAFCBFGBNWIGIN-VFNWGFHPSA-N 444.467 1.099 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2ccc(F)cc2)C1 1731178058 DPSITOUIRKVEMI-FQEVSTJZSA-N 429.431 1.734 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1740551857 WCPLOPXKAPSZLK-HOTGVXAUSA-N 448.568 1.817 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740662922 YUOYHNIGADKQQN-LSDHHAIUSA-N 442.586 1.509 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1740691211 XGGUZDHAKDOHNR-BSRJHKFKSA-N 443.523 1.852 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740723129 NMEWUXCWWUBJDM-VJANTYMQSA-N 436.578 1.753 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1740751230 ICCSDIAJGXFINH-MDZRGWNJSA-N 432.569 1.845 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1740767163 QHJHNYDKOOQCDT-MRXNPFEDSA-N 444.565 1.920 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3nc(C)no3)C2)nnc1[C@@]1(OCC)CCOC1 1740965983 UVULAXHWONPDHJ-HRAATJIYSA-N 445.524 1.308 30 10 IDEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1741124323 ZAUHKXCKQKCBNO-UHFFFAOYSA-N 436.524 1.040 30 10 IDEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(CCC#N)CCOC 1748269324 IEAGSVXRHWNRBZ-UHFFFAOYSA-N 438.330 1.549 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748730040 CLLMARNFALDAOX-UHFFFAOYSA-N 428.456 1.874 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CCS(C)(=O)=O 1748734268 AERAYYSYCZCVLF-UHFFFAOYSA-N 438.575 1.633 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1748816239 YAVFTLBDHZHCMX-SFHVURJKSA-N 440.504 1.858 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748819755 SXWANGBFKUXURR-UXHICEINSA-N 442.589 1.231 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1748902913 MWHSHVWKTKTNRY-UHFFFAOYSA-N 439.491 1.708 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749352290 KGYBDPBMMLBTCP-MRXNPFEDSA-N 438.598 1.634 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749671500 CPHJDGVBZKATBA-INIZCTEOSA-N 446.502 1.802 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CCC(N)=O)CC1 1749725108 PSZXETBYRVXORS-UHFFFAOYSA-N 435.550 1.929 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1751020998 BYJUJGLWPRNDJK-YPAWHYETSA-N 432.569 1.515 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752734097 XVYDJMWPIMDTNH-DDPVOYOXSA-N 427.509 1.034 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1760216584 TVQSLMIQDWSIQI-UHFFFAOYSA-N 440.511 1.745 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)c2ccccc2)CC1 1760260216 WYZXFXLXMOBEAS-FQEVSTJZSA-N 425.558 1.649 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760285456 GWOXFYYGSDRFRB-MRXNPFEDSA-N 442.545 1.446 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760428536 YHIYKHYVVQVLOJ-MOPGFXCFSA-N 437.610 1.695 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1 1760552084 BNDXPFFGDKCCDL-UHFFFAOYSA-N 440.529 1.676 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1760932176 LRISFSWYWRQKTR-UHFFFAOYSA-N 429.550 1.572 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763350397 ITXPNPYFLYQHJW-VGSWGCGISA-N 443.552 1.756 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1765004317 HWOYBNVEXHRIRB-IENXAOORSA-N 427.509 1.177 30 10 IDEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)OC 1765554095 HZFBFFJMTGCTRI-LJQANCHMSA-N 426.521 1.927 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1OC 1768531317 LGXBPKLKMZJAAL-QAPCUYQASA-N 440.504 1.606 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1F 1769844688 BUMPMEXCGJMBKQ-KRWDZBQOSA-N 435.525 1.928 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCc1cnn(C)n1 1770197715 XUNYRBLKZJSTPB-HKUYNNGSSA-N 428.541 1.893 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1772516472 SLINIVKLGMHSRZ-UHFFFAOYSA-N 443.573 1.828 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1772567349 SNJBGTPKIXCMEF-OTWHNJEPSA-N 432.569 1.021 30 10 IDEE CCc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc2c(c1)OCO2 1850576952 ZZTQBCUKYLJTGT-UHFFFAOYSA-N 431.456 1.787 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)N3CCC[C@H]3C(=O)N3CCN(c4ccccn4)CC3)cnc21 1852827758 MSAFFLCZEHJLHY-FQEVSTJZSA-N 443.511 1.793 30 10 IDEE Cn1ccnc(N2CCC(N(Cc3cn(Cc4ccccc4)nn3)C(=O)CC#N)CC2)c1=O 1853463280 KUBLHELRKJGFGW-UHFFFAOYSA-N 446.515 1.331 30 10 IDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862562575 IUOVYWYSEWOOPC-SFHVURJKSA-N 440.412 1.597 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(=O)cc1CN(CCO)CCO 1870734390 JTCIAUHLGIVBRG-UHFFFAOYSA-N 449.935 1.800 30 10 IDEE C#CCOC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1891835785 QRNVYNONDXGFPJ-NRFANRHFSA-N 447.557 1.829 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1984989713 GESPQLOHFCASRR-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124520406 UZQKUMDMXLVEOG-OAHLLOKOSA-N 448.329 1.740 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)=C[C@@H]1O 2141666161 VAOHCZSSNQIAER-HOTGVXAUSA-N 445.325 1.904 30 10 IDEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2247882681 STYOCBGQAOEYOF-UHFFFAOYSA-N 438.355 1.883 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2255843650 JUFDLJZKTAZQCW-CABCVRRESA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)NCc1ncc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)cn1 2267141474 XDKQOKJRFBCDTN-UHFFFAOYSA-N 444.301 1.776 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2267188666 PFYOBTQBKJKXMC-KDURUIRLSA-N 436.365 1.923 30 10 IDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC(C4OCCO4)CC3)c2)OC1(C)C 2267372453 OYGWODLQLPLHNP-UHFFFAOYSA-N 429.369 1.821 30 10 IDEE CO[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267592494 MZLXUCLVCJNXCS-HZPDHXFCSA-N 447.341 1.745 30 10 IDEE CC1(C)OB(c2ccc(O)c(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2270596978 FMAZTDXZWIJNEG-UHFFFAOYSA-N 442.243 1.975 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319677885 SKZHJMIFNFYIKF-JONQDZQNSA-N 440.346 1.412 30 10 IDEE COc1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339784703 DTWCFBGCTBSHSW-HOTGVXAUSA-N 449.357 1.594 30 10 IDEE COC(=O)Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)N/C(=C/c1ccc(OC)cc1)C2=O 9540409 CBWYXPHIRXGCOM-LDADJPATSA-N 447.447 1.889 30 10 IDEE C=CCn1c(=S)sc2c(=O)n(CC(=O)NC[C@H]3CN(CC(C)C)CCO3)cnc21 12517646 QHSGJSOXAPHXJS-AWEZNQCLSA-N 437.591 1.648 30 10 IDEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N 21319777 UQJKCGHASQAYDW-FOKLQQMPSA-N 429.481 1.994 30 10 IDEE CC(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 109277108 IEPMNOOZFSDPHA-UHFFFAOYSA-N 432.527 1.403 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1F 427240832 FBDLCQBAUJRMMX-LBPRGKRZSA-N 434.449 1.883 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCCOc3ccc(C#N)cc3)C2)cc1 468216217 QYAQEUUOKRDSMM-UHFFFAOYSA-N 430.486 1.318 30 10 IDEE CN(C)C(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 471199382 OTRDWTJONJLOMZ-UHFFFAOYSA-N 441.513 1.694 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)N3CCSCC3)cc2C1=O 484259281 WWYOQMGARQFTCC-INIZCTEOSA-N 431.539 1.559 30 10 IDEE CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 503280679 BLQHKBFUFPYHJK-OAHLLOKOSA-N 448.321 1.488 30 10 IDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@H]2C1 508826206 HSRAPKKPLWDKJG-QGZVFWFLSA-N 435.532 1.943 30 10 IDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(S(=O)(=O)CC)CC1 509009770 FEWIQILEUWWRQM-UHFFFAOYSA-N 443.371 1.704 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)CC1 510874126 XWBSOYQYSNHDBN-IAGOWNOFSA-N 431.503 1.459 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(F)c(F)cc2Br)CC1 511374618 AEAFIJUIPNVIQU-UHFFFAOYSA-N 431.281 1.857 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 517603859 OGUNXQNIUSJVGM-CYBMUJFWSA-N 442.335 1.580 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(COC)c2)c1=O 524749145 RKLJIJSFTJXFRE-UHFFFAOYSA-N 426.538 1.965 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 541288053 DCVHTGASGMBJLK-UHFFFAOYSA-N 425.539 1.371 30 10 IDEE COc1cc2c(cc1C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)OCO2 546065408 DFIVFSMSWPPWDE-UHFFFAOYSA-N 429.454 1.442 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)c1 583825418 OMBBVWNUFWXDTK-ZWKOTPCHSA-N 425.493 1.138 30 10 IDEE N#Cc1cc(S(=O)(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 604021582 CNWFOQNPGLXFAA-OAHLLOKOSA-N 425.919 1.985 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncccc2C)cn1 730144170 HTEQYFHBNWHTOF-SFHVURJKSA-N 443.577 1.806 30 10 IDEE C#CCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@H]1CCS(=O)(=O)C1 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426.517 1.953 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)s1 1162326497 FAJXMIKKTJFFGU-VHDGCEQUSA-N 427.548 1.490 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2ccccc2NC1=O 1164117087 AOPJKKMCFZYZLR-QGZVFWFLSA-N 426.498 1.575 30 10 IDEE CC(C)(C)OC(=O)[C@@]1(NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOC1 1195893953 RQUSSRXDUHUKOQ-IIBYNOLFSA-N 434.562 1.547 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(CCc4cnccn4)CC3)C2=O)cc1 1234025021 VPLSAPLZCUDGFL-OAQYLSRUSA-N 433.516 1.414 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1286298971 RQCDWGSGPORMPF-NVXWUHKLSA-N 430.530 1.732 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N(C)C 1286404167 NYESKXUHXXAHAF-UHFFFAOYSA-N 430.306 1.877 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1286466676 IJSJAOAVCFIXJL-SFHVURJKSA-N 447.561 1.497 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cccc(OC)c2)CC1 1286477157 PWJNXFJTEMMLTB-UHFFFAOYSA-N 445.527 1.534 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286662193 AGVAORCSVDKOFN-GOSISDBHSA-N 430.578 1.948 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1286673536 YEKYYNJIVMDHHO-HZPDHXFCSA-N 427.571 1.438 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)COC)CC1 1286700455 HYTVPKFDCPRZCM-UHFFFAOYSA-N 430.509 1.703 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286782887 CCKGBPIZNPSUFY-WBVHZDCISA-N 445.520 1.505 30 10 IDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)CCO2 1291325323 HZMNQLKHQBWAOW-HTAPYJJXSA-N 427.505 1.600 30 10 IDEE CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 1292455886 AMAUBZAVLSCENV-UFYCRDLUSA-N 437.548 1.823 30 10 IDEE CN(C)C(=O)CCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297974321 TZDVDLXOIXAUSL-SFHVURJKSA-N 427.578 1.975 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1298925356 BVWMZNOXBBZZNA-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE C#CC[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1)C(=O)OC 1299179315 XFHYOANBZCXZDZ-DFBJGRDBSA-N 445.475 1.847 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](N1CCOCC1)C(F)(F)F 1300267752 JPVQSTHGJSXMCP-HOCLYGCPSA-N 444.502 1.918 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1300273907 SHWJVFLRUWAKDF-DLBZAZTESA-N 430.578 1.405 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1300308478 CCHPCEDCIBNKOE-HKUYNNGSSA-N 447.561 1.456 30 10 IDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1300499510 SYHIBXMYTSJXEX-KRWDZBQOSA-N 437.610 1.357 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](CC)OC)CC1 1300717110 YQCYZDQBVBSMKI-XMSQKQJNSA-N 433.553 1.321 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1300763731 RLYZBQPUXAAZJZ-QZTJIDSGSA-N 448.618 1.893 30 10 IDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1 1301527119 URCHXIWXTAQOJO-KRWDZBQOSA-N 436.520 1.986 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOC(C)C)CCOC1 1314123477 SMCFOPYZRYODEY-QFIPXVFZSA-N 442.520 1.890 30 10 IDEE CSCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1316478282 ZWMXKTKJYOENKA-CVEARBPZSA-N 428.566 1.912 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C(N)=O)nc2)cc1 1355381993 BAQDKDIVTAGTDD-PLRJNAJWSA-N 443.529 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1358889881 IERCRKNRRBRZTH-YJBOKZPZSA-N 433.534 1.578 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358958628 SFOFWOHJZMJUMC-CRAIPNDOSA-N 446.533 1.430 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccccc2OC)CC1 1359028305 NVCILTIJNNHTPR-SFHVURJKSA-N 440.548 1.648 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1359044258 AOEQELWYNCOKQV-WOJBJXKFSA-N 429.565 1.953 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1359172681 FCLJRURIXVPHTQ-LJQANCHMSA-N 445.612 1.761 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)CC1 1359291881 DFTNQVBIHWEISZ-UHFFFAOYSA-N 426.525 1.006 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359329453 JIMROIHHDXFRAX-IBGZPJMESA-N 442.545 1.648 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cnn2ccccc12 1360693328 GWJKISNYTYKYKH-FOIQADDNSA-N 442.549 1.714 30 10 IDEE Cc1cc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c(C)c1 1361010337 BEWWLHVYZQSJDM-QZTJIDSGSA-N 429.546 1.883 30 10 IDEE N#C[C@]1(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CCCOC1 1454164479 UENKWWQENAGBET-HSZRJFAPSA-N 425.533 1.389 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)cc1 1454704177 SBAAVRWZSKKAAG-RBUKOAKNSA-N 442.541 1.796 30 10 IDEE COC(=O)[C@@H]1[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1(F)F 1455284474 JNDUMTYTSYEDFA-BBRMVZONSA-N 443.472 1.456 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)cc1F 1470669078 ZLWFIVBGWCZSTE-MAUKXSAKSA-N 443.928 1.989 30 10 IDEE 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COC1(C(F)(F)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)CCOCC1 1517868093 WMKGKTNQQYHLKY-UHFFFAOYSA-N 440.495 1.987 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)O 1519332237 WTXFDTNNSQVAFY-SFHVURJKSA-N 442.564 1.967 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccc(C#N)nc2)c1 1526339894 NPFOMLQHLSBTEN-UHFFFAOYSA-N 429.502 1.221 30 10 IDEE COC(=O)[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)[C@@H](C(=O)OC)C1 1536538965 IATBGBAJZZSJMN-SMDDNHRTSA-N 439.262 1.653 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1539003795 GLDNYEFLPVJBHH-GOEBONIOSA-N 427.505 1.956 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1539194252 VEFYSDIAOBAQPX-IBGZPJMESA-N 434.338 1.756 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1539230180 CGIZTZKSEZFQAE-XMSQKQJNSA-N 444.557 1.275 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1539278701 ISIYCQAZSKOCJO-KRWDZBQOSA-N 430.505 1.894 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1539359580 KUIWXZFKHRVHMI-MRXNPFEDSA-N 425.489 1.628 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCC(C)C)CC1 1539446445 CIDLWYGICFWTLP-WIYYLYMNSA-N 437.610 1.123 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](OC)[C@H](OC)C1 1539644648 HIXVOBUSSYVLCX-XUFBONQXSA-N 436.553 1.833 30 10 IDEE CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978163 IISQKZIMJSVBSO-SELCWUDQSA-N 426.473 1.676 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)n1 1543049431 BZGLTXFCYORUGE-QGZVFWFLSA-N 429.506 1.276 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)Br 1545928628 FSHLPOFRKCBLMD-LLVKDONJSA-N 435.273 1.913 30 10 IDEE CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1548169581 YWNWJLFHSODEKP-HNENSFHCSA-N 431.541 1.262 30 10 IDEE CO[C@@H](CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1554621893 ZUASSAJDPQZHTP-RISCZKNCSA-N 442.398 1.702 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@@](COC)(C(=O)OC(C)(C)C)C2)c1 1560037343 DNQNLSJEPZBJMS-QFIPXVFZSA-N 431.489 1.375 30 10 IDEE Cc1cc(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1S(N)(=O)=O 1564684122 BFDSYGUGZMYFDX-UHFFFAOYSA-N 427.530 1.982 30 10 IDEE C#CCN(CC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)OC(C)(C)C 1570275788 JFHCVTPJFFKCDR-UHFFFAOYSA-N 443.497 1.181 30 10 IDEE C#CCONC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1584287623 VUWBPNLPTONAIV-BLLLJJGKSA-N 429.926 1.416 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(S(=O)(=O)NC)c1 1587683977 PZMGKYHOAGKRKU-IEZWGBDMSA-N 447.561 1.416 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588065185 VSBKBDURZWBJAO-KRWDZBQOSA-N 434.587 1.862 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588065189 VSBKBDURZWBJAO-QGZVFWFLSA-N 434.587 1.862 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589053660 RPVDMGQYAKWNLP-INIZCTEOSA-N 434.591 1.533 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589434322 CSWTZAODVIZFAQ-UHFFFAOYSA-N 425.375 1.786 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1589484131 RIRVSPOQDWZDHM-MSOLQXFVSA-N 430.553 1.458 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1589570945 XMSQYOHIDSTUBY-HLIPFELVSA-N 431.537 1.771 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1594962629 MZJLELGLPDVCJL-VWKPWSFCSA-N 437.541 1.749 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1595805228 LXXFTEOOWQEEHZ-HNNXBMFYSA-N 427.571 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C)C(=O)C1 1595823201 LRRQILPQMPJZDJ-UHFFFAOYSA-N 431.562 1.333 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1595838544 WYDCWSLGXPLJKH-UHFFFAOYSA-N 436.626 1.884 30 10 IDEE CC(C)CSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1607832666 XGJURCWHEOAYOI-GOSISDBHSA-N 431.610 1.966 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCCC4)n3CCOCCCO)CC2)c1C#N 1612469626 CPIOZVDNTVRXDO-UHFFFAOYSA-N 442.568 1.575 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 1615209022 KHWVDCGKBMMHKP-UHFFFAOYSA-N 429.318 1.895 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H]1CCOC1 1616923051 VSWUSKMPNJDSRS-SJORKVTESA-N 426.525 1.618 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1618181591 SKSMJMMJZYZTCZ-SFHVURJKSA-N 430.505 1.659 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)CCS2(=O)=O 1618589966 SCZWYUCUKSPODM-UIORMTCPSA-N 445.419 1.601 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1620354966 FQLOZRYSNBTGHU-DLBZAZTESA-N 431.518 1.375 30 10 IDEE CO[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCS(=O)(=O)C1 1627108232 LBZFNIPCABSXNY-XKSSXDPKSA-N 445.328 1.820 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 1630472637 BAINRLJMRKVPIJ-UHFFFAOYSA-N 447.543 1.524 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1632219056 RKWGZHBAXLRNAG-HXUWFJFHSA-N 444.513 1.377 30 10 IDEE CCCNC(=O)C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1632986303 YREVTVRYXIEOHE-SFHVURJKSA-N 425.489 1.528 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(OCC#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1636585481 VKUPQSLZZMOIQW-MSOLQXFVSA-N 449.529 1.376 30 10 IDEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1636614324 ULZPTWIOXVKQTF-LJQANCHMSA-N 443.481 1.546 30 10 IDEE C=CC[S@](=O)(=NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 1640208899 YHRSXXOUNOSETC-GDLZYMKVSA-N 449.554 1.906 30 10 IDEE C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1641270446 FHKJMIOQPBJSTH-CQSZACIVSA-N 426.498 1.875 30 10 IDEE COC(=O)c1ccc([C@@H]2CCCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1C 1641926143 LPFNHSAJRKGEEW-SFHVURJKSA-N 444.513 1.715 30 10 IDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1643616841 RUFKNHGLKNGSAD-OAQYLSRUSA-N 426.498 1.595 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](n2ccnn2)CC1 1647875135 ZLNSHTZBYOYPLC-AEFFLSMTSA-N 444.561 1.985 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c1 1648259555 PUVGSYGZEWHAQE-RLLQIKCJSA-N 426.517 1.448 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(CS(N)(=O)=O)CC3)C2)C1 1648531104 OFAZARIKHNNIAG-NGEICVOHSA-N 440.566 1.300 30 10 IDEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1664349232 POTCNEGLVIBPPU-UHFFFAOYSA-N 429.608 1.990 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(CN3CCCCCC3)c2)CC1 1667805347 ZOVKHHZHVQVMSS-UHFFFAOYSA-N 447.605 1.357 30 10 IDEE C#CCN(C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 1675590149 PWFFURRBSLXUNF-HXUWFJFHSA-N 433.574 1.236 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1nn(C)cc1I 1681081443 ZIDQEUVNEJBYTO-HNNXBMFYSA-N 439.257 1.771 30 10 IDEE N#Cc1ncn(CCNC(=O)NC[C@H](CO)Cc2cc(Br)ccc2F)n1 1682388495 FPZGTBQIAHMADX-LLVKDONJSA-N 425.262 1.202 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCOCC1 1689835419 MHRGXLQSIAMXPD-ROUUACIJSA-N 445.589 1.775 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCCS(C)(=O)=O 1689839841 NHIOXPXTXZWMME-INIZCTEOSA-N 442.549 1.594 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1689848233 QZRQONARJZGJGR-ULQDDVLXSA-N 428.537 1.963 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1689852472 FRJTVZYBNKQTMP-VQIMIIECSA-N 449.552 1.841 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689987832 CXZLOBVZHWUIGT-QZTJIDSGSA-N 433.578 1.826 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1690020139 ZNVYGHFPPZLAJH-HNNXBMFYSA-N 433.921 1.380 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1690059421 PSLXYWMQRWBNKZ-HNNXBMFYSA-N 429.550 1.706 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2ccnc2)c1 1690092469 JOJBZFPXZAYAMB-UHFFFAOYSA-N 447.543 1.893 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C2CC2)cs1 1690103643 FLDVBTMDQNKBDO-OAHLLOKOSA-N 435.575 1.648 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690115097 RRLDNBHPQAPQDR-KKSFZXQISA-N 426.477 1.148 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)N(C)C)CC1 1690143876 FSRPFSYWMUBIHL-UHFFFAOYSA-N 433.516 1.480 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690237362 YBDIBJVKMMYMLH-GGPKGHCWSA-N 444.580 1.989 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690430260 HBIFRJWBNWFANI-GOSISDBHSA-N 444.580 1.907 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1690472021 BFEZQCDGNJEDLZ-HNNXBMFYSA-N 433.582 1.950 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1690668738 HMTZRTYYCJLLDZ-UHFFFAOYSA-N 437.504 1.199 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1690674835 GYJNXZZPTGHPPC-UHFFFAOYSA-N 433.516 1.743 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CC[C@H](CO)O1 1692548411 ZBJJNMYBXUIZNZ-WCIQWLHISA-N 438.532 1.700 30 10 IDEE Cc1ccccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1693266277 BSOWRKRATBEBPR-PKOBYXMFSA-N 446.577 1.901 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)cs1 1693359881 DBFYSAPQPKBUOL-MAUKXSAKSA-N 431.566 1.331 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@](C)(O)CC)CCN2C1=O 1695776806 HNIIUXFKWRRSEE-VGSWGCGISA-N 437.504 1.450 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1705559914 GWSAKDLLPMLNPX-OAHLLOKOSA-N 433.534 1.112 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1705649009 HADQKUVRYBDPIQ-GOSISDBHSA-N 435.532 1.221 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(CC)C2)CC1 1705649591 BETVPLVMKJPBGZ-FQEVSTJZSA-N 435.576 1.572 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705658173 HBEJOCCDCINYCR-GOSISDBHSA-N 441.605 1.743 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705881229 HFCAHHKHPXFNFS-JTSKRJEESA-N 442.520 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C)C(=O)C1 1705931184 IGJGEQQEKAPLGV-UHFFFAOYSA-N 429.502 1.571 30 10 IDEE C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1706735531 GPOHQUAKZIQGGA-JFZFJCGJSA-N 439.476 1.546 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCOC1 1706894917 CCBYBXALMNHLEF-ISARSNTHSA-N 444.561 1.668 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CCOC1 1711622374 HNXPQGMRZUJSBK-QRWLVFNGSA-N 433.534 1.492 30 10 IDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1712058176 AHLZYXHHUOGMMK-KNQAVFIVSA-N 426.521 1.411 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCc2nccn2C1 1712459837 VUTHZVXYNGKRHX-QGZVFWFLSA-N 426.525 1.226 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)CC 1722277481 NBVOURXTUYTXHI-HNNXBMFYSA-N 432.550 1.132 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1ccnc1C 1722291229 DJWLDUVOCAIPKM-HNNXBMFYSA-N 426.550 1.901 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1722324115 LAMPHJYFUGCZPW-INIZCTEOSA-N 442.545 1.358 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1722333098 RTVAJUZEXOSFEF-QGZVFWFLSA-N 433.578 1.575 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722361124 LDRXDNXOPPTJKC-ZIAGYGMSSA-N 425.461 1.324 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722365785 FJZWHQNHNHDYER-LQWHRVPQSA-N 436.578 1.962 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCC2)CC1 1722433574 AITVNAHPYSPDOY-UHFFFAOYSA-N 443.573 1.409 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1722461421 OJYYPFQSQLBTRR-DLBZAZTESA-N 441.623 1.460 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722625576 XAODFHDQFATIHF-QUCCMNQESA-N 427.553 1.875 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722671375 QNXQJGFUSWELFX-FQEVSTJZSA-N 449.559 1.756 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1722732274 XHUKDIYACXCNKH-UHFFFAOYSA-N 443.577 1.770 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722737200 WWQDWDVMPGWBCV-BBWFWOEESA-N 426.539 1.115 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1Cc1ccc(C#N)o1 1730875608 MTYBVKQEIZDOEU-LSDHHAIUSA-N 429.481 1.071 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cc(CO)nn1 1740532145 XVPXRJGKCBFKPC-KRWDZBQOSA-N 436.520 1.779 30 10 IDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1740566756 XZDKBKHDWSEPKG-UHFFFAOYSA-N 449.602 1.568 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1740626465 KSGAEBBECKIFAP-RTBURBONSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740628210 WHDIOMRWAJJCQU-BRWVUGGUSA-N 438.619 1.940 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)CCOC 1740653840 ZNEMMZAKYGXGSI-QHCPKHFHSA-N 434.500 1.844 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740684536 UISYRIPUFFNFJQ-GJZGRUSLSA-N 428.459 1.199 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)N2CCCCC2)CC1 1740705937 OJZLUZOEBZFHQJ-UHFFFAOYSA-N 426.565 1.914 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740709369 FTYFSKSUDANYPX-OAHLLOKOSA-N 447.565 1.867 30 10 IDEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740886607 MDLIXTMDZXHYDI-RXVVDRJESA-N 430.597 1.812 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1 1740961920 MHOYRWBILORVAD-UHFFFAOYSA-N 426.521 1.238 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1741033076 MHOBYKVYOWESGQ-LJQANCHMSA-N 435.532 1.790 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1745883342 GRAWHSYJXZYNNY-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1747442299 ASZGFMSYNQWTMA-AWEZNQCLSA-N 434.522 1.251 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748818403 ZLLJKFAHYRYYEJ-HZPDHXFCSA-N 435.575 1.612 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748864109 QAAOAUYDZZFSJB-BBTUJRGHSA-N 449.577 1.079 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1748989455 MBIFBYIONCDFIS-SFHVURJKSA-N 432.569 1.794 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCSC2)CC1 1749015870 QGXCORJUFTZAAZ-QFIPXVFZSA-N 431.606 1.845 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749104263 OHNDGQPFOZDGSF-UTUOFQBUSA-N 447.311 1.203 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)N2CCOCC2)CC1 1749293928 IYBGLOJPRZRPNS-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749651567 XZUUJFQEJHYZGJ-OWCLPIDISA-N 425.493 1.089 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749671640 GCOOVIXOMPWXNJ-UHFFFAOYSA-N 440.523 1.759 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749773044 MMYIIYMOVYIKTM-ROUUACIJSA-N 426.477 1.509 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749822009 MRPSCWNETYKIRQ-ZWKOTPCHSA-N 438.598 1.972 30 10 IDEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1751506476 OZUCYXTVCIJLCB-NRFANRHFSA-N 441.513 1.904 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760146447 MYXVZEQSNLHFPY-VFNWGFHPSA-N 432.525 1.230 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760182789 MCVVPJCKQWUVLH-YVORESIASA-N 428.624 1.750 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760187327 CTVCNQOBQXFZSW-VQIMIIECSA-N 428.562 1.450 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC)N1CCCC1 1760248200 DPONRRDFGZJRCF-QGZVFWFLSA-N 428.537 1.966 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OCCOC)CC1 1760259928 IMXTWWHRGNUUTA-UHFFFAOYSA-N 447.543 1.872 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCn2cc(C)cn2)CC1 1760271766 LGEMGIRVTXXIRI-UHFFFAOYSA-N 432.532 1.435 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760279188 UGYVAFCYSFRPIQ-ZDUSSCGKSA-N 441.483 1.550 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1760374047 HMNVLHKAXBZNDV-IAGOWNOFSA-N 446.017 1.870 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1760521746 BYBBUJUMMDFEGR-IAGOWNOFSA-N 447.536 1.615 30 10 IDEE CC(C)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760939960 CEWWFGXGIKJSJO-LSJPXJTBSA-N 430.509 1.312 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1761356936 RNAOCSCYYUGTHY-JKSUJKDBSA-N 439.511 1.608 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](F)(C#N)C1 1764672227 CSFBHIYVBCOSCI-NRFANRHFSA-N 446.531 1.991 30 10 IDEE CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1767535189 GISYNJLCSUGYMV-KRWDZBQOSA-N 439.520 1.648 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768032071 DTYLZKCESXQPTH-XOMICKMZSA-N 437.504 1.729 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1769367086 WBKKUTJOTDGHHG-MAUKXSAKSA-N 429.550 1.039 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)c1 1769898184 AEZOBSJVQMPMBT-HNNXBMFYSA-N 428.493 1.417 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](COCC(=O)N3Cc3ccccc3)C2)cc1 1849676366 ZPETXMFLBWZWPY-CTNGQTDRSA-N 425.510 1.996 30 10 IDEE C=CCN1C[C@@H](C(=O)Nc2c(-c3ccccc3)cnn2[C@H]2CCS(=O)(=O)C2)CC1=O 1851995535 PVJIWLMQZASQOM-IRXDYDNUSA-N 428.514 1.883 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)O[C@@H]1c1cccc(OC)c1 1853274375 MJBFHSMBIRQVHM-VQTJNVASSA-N 427.478 1.855 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@H](C)NCCn3nnc4ccc(F)cc4c3=O)C2)CC1 1853444153 IHKROUJYLIERCH-JKSUJKDBSA-N 449.552 1.669 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)C(=O)C1 1855296050 OXYRDRQVKIKGAL-NHCUHLMSSA-N 429.542 1.700 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)C1 1858327245 NTHPPTVQCKEDNR-CYBMUJFWSA-N 448.482 1.147 30 10 IDEE O=C(O)[C@H](CS)NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 1859455448 AWMWXTMRZMPFST-INIZCTEOSA-N 434.495 1.187 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 1869934888 VFUDQCQEJBGBHJ-LJQANCHMSA-N 441.557 1.894 30 10 IDEE COc1ccc(-n2nc(N3CCN(CCO)CC3)nc2NC(=O)c2cccc(C#N)c2)cc1 1870011902 JDOLUDVUUMYTHH-UHFFFAOYSA-N 447.499 1.514 30 10 IDEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN(CC)CCO 1870375565 BUIQJAJEPPKTOE-UHFFFAOYSA-N 439.512 1.914 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN(CCO)CCO 1870713631 JTAUPHLOVHPQPI-UHFFFAOYSA-N 435.908 1.492 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873560923 BXPUBKHYVZWZCB-GASCZTMLSA-N 426.521 1.568 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N3CC(O)C3)ncnc21 1873656117 NBOLAPIFAFYRIO-UHFFFAOYSA-N 432.440 1.276 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1C 1889694137 AMRZDEDWCWTSQL-UHFFFAOYSA-N 449.617 1.814 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060633008 ITHSMNOGZXURPR-CQSZACIVSA-N 430.314 1.971 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1nc(C#CCO)ccc1Cl 2241212010 BWLJVMBLOZSINC-UHFFFAOYSA-N 447.900 1.897 30 10 IDEE C=C(CS(=O)(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243417843 XLDHMSRPWDDCOR-CQSZACIVSA-N 434.364 1.321 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)OC(C)(C)C 2255709426 WIELOSXAYABANU-AWEZNQCLSA-N 438.330 1.879 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOC2)n1 2255799401 HYHHSSCMNQVWTB-QGZVFWFLSA-N 447.366 1.699 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2255838639 IZTOOBNOUDIPMI-CYBMUJFWSA-N 435.334 1.101 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267124087 HKDPBXHAUCLRDR-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE Cc1c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267147764 WXAHZCUTNGIWIS-UHFFFAOYSA-N 440.353 1.004 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1C(=O)OC(C)(C)C 2267221417 VITOSCJYVXXXMV-KBPBESRZSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267274687 DDPLVYPPSARILN-HUUCEWRRSA-N 448.329 1.188 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2COC[C@H]12 2267518986 HFHGSBONUROBIE-YUELXQCFSA-N 448.329 1.073 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C(=O)OC(C)(C)C 2267544108 PKDKZUDNNIJPET-KBPBESRZSA-N 449.361 1.584 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267547833 OAFYLSVPPGSNGB-GJZGRUSLSA-N 446.357 1.658 30 10 IDEE C[C@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2319291548 UIBWSIHNVTVBPV-CQSZACIVSA-N 449.338 1.383 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2337195443 YNBQKUOJGGVFKV-QKDCVEJESA-N 446.357 1.562 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2337302363 VQPXONWJVDBUQP-RBSFLKMASA-N 446.357 1.705 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC3CCN(C(=O)OCC)CC3)cc2C1=O 19043765 ONVHMFBCBAOAEV-UHFFFAOYSA-N 443.456 1.363 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)CC1 23266241 XJHAESHAVKQODI-DEOSSOPVSA-N 444.576 1.581 30 10 IDEE C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 49447263 SCWUAJSSYCXTIW-HDICACEKSA-N 434.558 1.987 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)CC2)c1 109364522 HRWWPEUWDRXEFM-QFIPXVFZSA-N 444.495 1.078 30 10 IDEE CCOc1ccccc1N1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@@H]21 254759843 RCLWSVRTJVJDSD-ZFWWWQNUSA-N 426.516 1.942 30 10 IDEE CS(=O)(=O)c1cccc([C@@H](NC(=O)Cn2cnc(C#N)n2)c2cc(F)ccc2F)c1 426861757 MKXIVKRNRARJQK-LJQANCHMSA-N 431.424 1.737 30 10 IDEE CN(C)c1cc(C#N)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 432046788 KERSXICOJYNLRT-UHFFFAOYSA-N 434.543 1.637 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 460935103 URURUOPUJKAFDO-ZACQAIPSSA-N 426.587 1.106 30 10 IDEE CO[C@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 469347290 XNGZXYGSZYJHIF-OAHLLOKOSA-N 434.440 1.542 30 10 IDEE Cn1cc(C#N)cc1C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 471601817 LMGNZRNOLJADIK-UHFFFAOYSA-N 430.486 1.205 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)CC2)c(F)c1 477032587 RSIKKZBIGNSODL-UHFFFAOYSA-N 435.502 1.538 30 10 IDEE Cc1cc2c(cc1S(=O)(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)OCO2 480277553 XTKBGUAWCVWAMB-UHFFFAOYSA-N 449.510 1.291 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482198498 KNKWVRSTJBPFCF-OAHLLOKOSA-N 446.504 1.722 30 10 IDEE CCOC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 482405450 PDCHQGPFZLSFOA-DNVCBOLYSA-N 429.498 1.688 30 10 IDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 486057681 ZTIICCUZVBXCRD-UHFFFAOYSA-N 433.555 1.858 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 494230666 LZRHIADCPKVGHP-XQBPLPMBSA-N 431.968 1.894 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 508896246 RJFUFJBSCBHQHM-UHFFFAOYSA-N 426.521 1.549 30 10 IDEE CCOCCOc1ccc(Br)cc1S(=O)(=O)NCCn1cnc(C#N)n1 511431583 SGWKLRJPRXEQMN-UHFFFAOYSA-N 444.311 1.306 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1 513022996 CLXVSFBCLSVEJI-QGZVFWFLSA-N 432.415 1.743 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccccc1 530893014 OQCGCODOAIXEDK-UHFFFAOYSA-N 432.530 1.673 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@@H]1CCCO1 553659277 NWYUKBJGYUCKMZ-ZDUSSCGKSA-N 449.985 1.929 30 10 IDEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 555261138 REDNNADAFMAVSZ-UHFFFAOYSA-N 432.550 1.220 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=C)C)CC1 558961792 GHWNCRIZHGFJEI-FQEVSTJZSA-N 438.532 1.791 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 573101254 QQWHNFCKCFYHQR-UHFFFAOYSA-N 439.607 1.641 30 10 IDEE C=CCN(C(=O)c1n[nH]c2ccc(I)cc12)[C@@H]1CCS(=O)(=O)C1 610290957 BEUPNJOZRWSEJH-LLVKDONJSA-N 445.282 1.983 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3cnccc23)c1=O 611917522 UCPMCRCPPZJKRS-UHFFFAOYSA-N 432.505 1.006 30 10 IDEE CC#CC[C@H](CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br 717759146 FPRJDYPDPNOYMK-SECBINFHSA-N 426.130 1.846 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 743960040 QFVCDRIHUUTDLU-UHFFFAOYSA-N 437.472 1.148 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 751921609 GJVSCBDETVCAQR-HZPDHXFCSA-N 433.578 1.437 30 10 IDEE C[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 752158093 ULCLRAYXUUKOIO-CQSZACIVSA-N 435.527 1.558 30 10 IDEE CC[C@H](CO)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 754435450 CSVOFPPKXPDCTD-QGSQVHNNSA-N 437.566 1.420 30 10 IDEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755545435 IAKOWLXPZHMFJS-GOEBONIOSA-N 430.461 1.595 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(OC)cc2)C1 760305505 XTEDVQVEVBUTTP-ZBFHGGJFSA-N 433.534 1.567 30 10 IDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 767690646 OUKOUDXYIVQZSV-AWEZNQCLSA-N 430.473 1.943 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1cccc(F)c1C#N 781593407 ARTYNADYGFWXOG-KRWDZBQOSA-N 449.460 1.834 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1 782855544 CUDOPTGZHLUIGK-GFCCVEGCSA-N 441.439 1.453 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 783296429 HNNRMQMKWRFTLB-QGZVFWFLSA-N 443.953 1.482 30 10 IDEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)Nc1ccc(I)cc1 798740890 DRMKUPLWTQDQEP-UWVGGRQHSA-N 439.213 1.886 30 10 IDEE C[C@H](C(=O)NS(=O)(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1)n1cnc(C#N)n1 798834977 RHBUDYHDCUUIKZ-SNVBAGLBSA-N 439.379 1.420 30 10 IDEE Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 800767923 CAGOGUOCNSOREI-UHFFFAOYSA-N 432.488 1.835 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCO3)CCO2)c1 802689074 JLYCYLFBTNYQPM-SLFFLAALSA-N 425.489 1.995 30 10 IDEE C#CC[C@]1(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 804692272 JEYVLZCFTGLFSZ-OXJNMPFZSA-N 427.567 1.710 30 10 IDEE CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 806780712 FDQLPYOMKZUYJD-NRTINQSCSA-N 447.536 1.945 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)n1 813750688 CFPLEUBISDWHLC-RTBURBONSA-N 437.504 1.886 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2noc(C(F)F)n2)CCC1 816928686 OISOBUDMFGWVKM-UHFFFAOYSA-N 425.417 1.631 30 10 IDEE COC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 912994366 MMFMEVPPCPUNEK-UHFFFAOYSA-N 428.470 1.883 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)[C@@H](C)Oc1ccccc1C#N 914679792 IZDZCAMIHURXOS-UONOGXRCSA-N 443.481 1.494 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCSCc1ccccc1C#N 1135827836 ILWHVKBZOBNMMD-GUYCJALGSA-N 439.584 1.697 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 1136206205 BDUYNTSBBSBXQQ-ZODMPJJVSA-N 435.546 1.232 30 10 IDEE COCCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1137089248 KGLMBUQMYFTOIM-AWEZNQCLSA-N 444.879 1.162 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)[C@H](C)c2cccc(C#N)c2)s1 1142772897 DJAZCIIIJPHLJI-CYBMUJFWSA-N 434.543 1.754 30 10 IDEE C#CCCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1147843856 QTISWWXRNMSLNV-FQEVSTJZSA-N 449.573 1.320 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(C)cc3F)nc2C)CC1 1152974209 PRDXYNOFEROIPT-UHFFFAOYSA-N 436.534 1.791 30 10 IDEE CC1(C)OB(C2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)OC1(C)C 1153815276 SGGUICYTPFIUFB-UHFFFAOYSA-N 434.323 1.916 30 10 IDEE CCOC(=O)c1cn(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1156464914 BWVFMMZNBRAXNO-CQSZACIVSA-N 429.864 1.754 30 10 IDEE N#CC[C@@]1(O)CCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1163163177 QGLDIJSVEOCCAZ-HXUWFJFHSA-N 437.518 1.174 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@H]2CCO)n(Cc2ccccc2)c1C 1176335807 QATHEDJLMXEVOE-LJQANCHMSA-N 444.557 1.445 30 10 IDEE N#CC1(C[C@@H](O)CN[C@H](CO)c2ccccc2I)CCOCC1 1176842561 VJSZWSPEVFKDOL-CZUORRHYSA-N 430.286 1.986 30 10 IDEE CC(=O)N1CCN(c2cccc(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C)C1=O 1219060901 FKQYSLIOXKQMCT-MGPUTAFESA-N 445.501 1.186 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N3CC[C@](C)(C#N)C3)cc2)CC1 1221721738 NRWCTLTZPGOFTR-HSZRJFAPSA-N 427.549 1.717 30 10 IDEE C#CCOc1ccc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1251291555 PSTVTCQKEDSDAP-UHFFFAOYSA-N 435.477 1.706 30 10 IDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(N2CCCOC2=O)cc1 1251454264 WBBLLZKRNBJOTJ-DKICVRJWSA-N 432.502 1.674 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCS(=O)(=O)CC1 1286365668 FZZDYYRHYOGPFN-UHFFFAOYSA-N 436.559 1.243 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1286385952 RQKYGDYXODXCRS-INIZCTEOSA-N 431.566 1.394 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnn(CCOC)c1 1286410039 RDEJNTRLMSISGG-NRFANRHFSA-N 432.484 1.755 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCSCC2)CC1 1286476397 WMMJWQCYQBUPOJ-UHFFFAOYSA-N 426.590 1.758 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1286566820 JHEJMPACWLDAHK-OAHLLOKOSA-N 426.587 1.740 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)noc2C)CC1 1286646316 PFHQCKWMJIVYTB-QGZVFWFLSA-N 436.538 1.421 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1286754048 LOLLKJUALULYLQ-HZPDHXFCSA-N 433.534 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCN1CCOCC1 1286783371 PSLIMZQLAJTALN-UHFFFAOYSA-N 448.955 1.678 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1286816293 FCQLJLBSMMIWDU-UHFFFAOYSA-N 449.577 1.921 30 10 IDEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1290090908 BPDQEBQTCGZLEO-APFMSCDFSA-N 437.504 1.480 30 10 IDEE Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290769231 ILHKSDFMBBWLAJ-WBYGGXTKSA-N 442.442 1.643 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1300408978 DQSSKGJUXYGQBT-SJLPKXTDSA-N 433.534 1.611 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1300412072 QTZJBCXZGWDKCJ-IRXDYDNUSA-N 446.552 1.715 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300675380 AUCSJHHPVRKTDS-ZVVDCOBXSA-N 434.537 1.426 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1300699504 DPPBCNOBMBVYSO-QZTJIDSGSA-N 432.569 1.841 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300743661 XDUDEGKHTBFCIM-IBGZPJMESA-N 429.546 1.661 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccn2)CC1 1301085847 BSHHLERNPCMXCP-GOSISDBHSA-N 432.550 1.405 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1301496765 GOQRCBZIODOGMU-INIZCTEOSA-N 426.525 1.170 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CN(CC(C)C)CCO2)C1 1301565841 GUSUTGXDVVVWKT-WOJBJXKFSA-N 446.596 1.539 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(CN3CCCCC3)CC2)s1 1305210595 TZICVEBWPCPDFY-UHFFFAOYSA-N 441.619 1.594 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1306508159 DBHHGBASABTMIU-UHFFFAOYSA-N 433.520 1.879 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1313553069 HMAGKWBJXJASQL-SFHVURJKSA-N 438.536 1.591 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1C 1313941751 FPJFILHHRCBDQA-MRXNPFEDSA-N 432.550 1.304 30 10 IDEE CN(c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1314695547 WZQVJHCEZHMMEY-GFBZJKCLSA-N 432.550 1.988 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 1314901096 VKRPPONWIBNNDW-QVKFZJNVSA-N 440.458 1.604 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1358994654 SVDLFMNNWVGKES-LEWJYISDSA-N 439.585 1.946 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCC1 1359019360 SHCSJYSTBZJKEJ-UHFFFAOYSA-N 446.577 1.548 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359055868 REZDSMUOHMKVSP-DLBZAZTESA-N 445.593 1.178 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1359133792 ZHYFYUSKBLXIDW-LJQANCHMSA-N 448.593 1.886 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1COCCO1 1359848614 CBMXEHDAXRJGTG-LJQANCHMSA-N 425.537 1.875 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1440808044 GRMIFJLUMKHABV-IBGZPJMESA-N 431.512 1.897 30 10 IDEE Cn1c(CO)nc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 1441016036 ZXOMPXACTARBSE-UHFFFAOYSA-N 439.497 1.084 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 1461386134 KVXGYPDIBQUBCP-INIZCTEOSA-N 426.469 1.879 30 10 IDEE C#CCN(CC(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12)C(=O)OC(C)(C)C 1466940476 WWOYHTRVJPSBSB-IBGZPJMESA-N 425.489 1.513 30 10 IDEE CC(=O)N[C@@](C)(C(=O)N1CC(Nc2cccc(C#N)c2)C1)c1ccc(S(C)(=O)=O)cc1 1470623922 QBOBNBJBMKUUAT-JOCHJYFZSA-N 440.525 1.636 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncc(Br)s1 1471391780 VRQRIVZRHWFQOB-SECBINFHSA-N 429.321 1.760 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnn3[C@H]3CCOC3)CC2)cc1 1472137580 NCKATEFWOKTEHU-KRWDZBQOSA-N 429.502 1.756 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C)c1cc[nH]n1 1472278069 XXQAONVIRABFBV-KRWDZBQOSA-N 446.414 1.611 30 10 IDEE C[C@H]1N(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1494633169 KALITVSAPOLECG-UFOSLELVSA-N 425.493 1.803 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1503356562 ATMIIIPMJUFEQV-VGOFRKELSA-N 439.495 1.616 30 10 IDEE COCC(C)(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1504545126 BBWSRABISVEQGH-JKSUJKDBSA-N 425.555 1.362 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCOC2)CCO1 1505321370 PAAPMEWWRQJMOO-SJORKVTESA-N 441.492 1.097 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507623442 SFPOIVQAUXJCKP-CYBMUJFWSA-N 435.472 1.386 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507631696 RSSLZPPCBBLORS-KRWDZBQOSA-N 440.504 1.744 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1507633344 RTSWATJXSNKACJ-HZPDHXFCSA-N 433.559 1.274 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1507634746 MCKPKXHXEZHEFA-QGZVFWFLSA-N 444.586 1.647 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1507641916 MPAWHERFIDCNFZ-IBGZPJMESA-N 447.337 1.662 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1507649176 ZWECZXILZGAWID-UHFFFAOYSA-N 425.562 1.407 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1nnnn1CC1CC1 1507704413 AFRRMGPRPRIPPH-UHFFFAOYSA-N 427.900 1.524 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1COc2ccccc2O1 1507714812 XGLOQORJENJAOI-UEXGIBASSA-N 442.516 1.928 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nccs2)CC1 1507728193 WBOLOBZCQHQTQM-UHFFFAOYSA-N 427.559 1.530 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507973282 YBYIKMRTZWYFTR-GOSISDBHSA-N 428.461 1.718 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1508081606 LNDJVSGSYYQTDN-SFHVURJKSA-N 425.468 1.698 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCCc3c2cnn3C)nnc1[C@]1(OCC)CCOC1 1508092222 ALMFBXMEDUCAOD-JTSKRJEESA-N 443.552 1.480 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1cccc(O)c1 1508142484 DAPIOEVHTNTPDV-INIZCTEOSA-N 447.561 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(c2ccnn2C)CC1 1508148636 VWNWNYAGFPHXEK-GOSISDBHSA-N 434.566 1.848 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCOCC2)CCOC1 1508410182 DJSMZNIRXRCHHY-UTKZUKDTSA-N 434.541 1.163 30 10 IDEE CC[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514083670 AOYLTJMXRHYOPU-UHHPSXQGSA-N 427.509 1.277 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1518764744 JUEOHHYKOOWQGL-IERDGZPVSA-N 428.468 1.572 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1539063751 UDQDOJXJWLLUFN-UHFFFAOYSA-N 433.582 1.780 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1539124586 GZZPVWUBBAGBQJ-LPHOPBHVSA-N 447.561 1.927 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539223216 ZMVBHNDVTRPAKS-UYAOXDASSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1539323209 DZKGKQMOPGKLLL-LJQANCHMSA-N 431.606 1.908 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CCOC2)CC1 1539836265 QCJANAZKZXVTFX-OAQYLSRUSA-N 447.561 1.503 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1540033800 PSWRJYIBQKRHPM-MRXNPFEDSA-N 444.496 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1540862743 IGJDMVJUBAYGQO-QWFCFKBJSA-N 445.612 1.473 30 10 IDEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)N1CCOCC1 1541993863 GANWUMFOPXBDIX-QHCPKHFHSA-N 437.548 1.629 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)s1 1542075308 IFOOTFFTGZHQBY-KRWDZBQOSA-N 433.555 1.845 30 10 IDEE COc1cccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)c1 1543503100 PMFCRYWILITOTG-UHFFFAOYSA-N 442.541 1.845 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1)c1cc[nH]n1 1543603419 SHTRVDDYJQIWAC-MRXNPFEDSA-N 443.504 1.231 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCCCO)CCOC1 1547895687 DONLEMYDBKHBQC-QFIPXVFZSA-N 442.520 1.628 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1547904712 QBOURSIUNMHISX-HTAPYJJXSA-N 442.520 1.796 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1555280041 CLSUQRSKRWURDC-CVEARBPZSA-N 437.497 1.337 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1556660315 LDGFMKXGNMGOOS-RLLQIKCJSA-N 432.542 1.425 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cc(C(=O)OCC)cn3)CC2)cc1 1556675527 SBIIMWQYXVVQQK-UHFFFAOYSA-N 444.513 1.449 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCCS(=O)(=O)CC(F)(F)F)ccc2c1=O 1557396495 PBINLGMGWRJTDK-UHFFFAOYSA-N 435.449 1.578 30 10 IDEE C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1557997313 VNXVWKOLEKSSDM-FQEVSTJZSA-N 435.933 1.879 30 10 IDEE Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558805907 YFJMYDKOIBCSDJ-UHFFFAOYSA-N 438.875 1.903 30 10 IDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 1561531406 HDKBPKIYDZPQPA-IBGZPJMESA-N 445.472 1.492 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1 1564417412 VMGKMODFLJQFLG-HZPDHXFCSA-N 440.566 1.478 30 10 IDEE CC[C@@H](CN1CCOCC1)NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1565374414 CHBICUHPFFKRTR-SFHVURJKSA-N 439.564 1.977 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)cc1 1569676576 VLMJWWHHKMMCDF-SFHVURJKSA-N 431.470 1.800 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(=O)NCC=C)c1 1587697112 JUXYTVVXFABFJJ-UHFFFAOYSA-N 443.511 1.622 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1588138752 IQBROFCGXRHNCD-GOSISDBHSA-N 449.483 1.010 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588240891 GWDMBYOTUJJPRX-LJQANCHMSA-N 425.558 1.888 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCOCC2(C)C)CC1 1588947848 XGZDUGNVAGJDRC-UHFFFAOYSA-N 430.597 1.553 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1594963141 RCPMLUDVRNGSBS-IXDOHACOSA-N 425.555 1.214 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1595555816 HXFBNVADKHJXSS-UHFFFAOYSA-N 426.521 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CO)CC1 1595776556 BLGUVMVFUKIGFS-UHFFFAOYSA-N 434.518 1.483 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H]1c1nncn1C 1595784816 KWSUSJVFPDOMEQ-INIZCTEOSA-N 428.522 1.411 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1596832728 YHTJACODAHMEFI-AWEZNQCLSA-N 430.463 1.917 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1610981985 UYCWMLSXLRIQOX-NXDJFEHLSA-N 446.552 1.732 30 10 IDEE CC1(C)C[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1611780925 DEECFWPHGBZOGU-DLBZAZTESA-N 436.582 1.787 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1615992554 ZODPGBBCZGFOHD-UHFFFAOYSA-N 441.536 1.673 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 1616871943 QWOXEIPPFPORLG-IBGZPJMESA-N 430.549 1.901 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1617972756 IWZLNXVMTFSERK-VQTJNVASSA-N 437.504 1.639 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1618948509 WZCRJPHGLKSKKM-VFNWGFHPSA-N 426.477 1.795 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1619779016 AWVHAPMBHROSDC-LVCYWYKZSA-N 429.477 1.078 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1619913486 FIAPEMHBQNQHBP-KNQAVFIVSA-N 426.521 1.968 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)C1 1620346464 BGEXSJYDDBMIFA-GTNSWQLSSA-N 441.439 1.398 30 10 IDEE CN(CCCC(=O)Nc1nc2n(c1C#N)CCOC2)C1=NS(=O)(=O)c2ccccc21 1623340360 PNTMDTZCVNYKIX-UHFFFAOYSA-N 428.474 1.085 30 10 IDEE COc1cc(NCCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ncn1 1630693881 IUCDPUIUUNJUFK-AWEZNQCLSA-N 428.880 1.982 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3(c4ncon4)CCOCC3)C2)C1 1631483602 YCVWKBDEJOXKJI-CHWWFWEZSA-N 431.493 1.978 30 10 IDEE O=C(NCC[S@@](=O)CC(F)(F)F)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1632730721 BESXLZWGWXKDLO-HHHXNRCGSA-N 431.305 1.873 30 10 IDEE CC(C)(C)c1nnc2n1CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1633623909 KTSHXQPRLLOXDK-UHFFFAOYSA-N 430.534 1.437 30 10 IDEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1642217226 GRFBETGKPHNWLF-INIZCTEOSA-N 425.532 1.623 30 10 IDEE COC(=O)[C@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 1644069870 KUWQPIKMJNLYRW-WIYYLYMNSA-N 431.493 1.265 30 10 IDEE CN1CCN(CCCS(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 1663136235 GBNJGLRMZMQKFQ-HXUWFJFHSA-N 440.013 1.490 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1663768433 DJCZLHKPMQLGJD-IRXDYDNUSA-N 439.534 1.251 30 10 IDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1664764780 LZDZIUVXHKFEOH-NSHDSACASA-N 430.324 1.346 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)cc1 1667790727 DBSIFDLIBFPUTN-QZTJIDSGSA-N 429.473 1.927 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)CC1 1673481770 ZWRLPPUGMQWLDG-UHFFFAOYSA-N 449.577 1.566 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC(n3nncc3I)CC2)C1 1684083512 WBEMJKQKTYJVDZ-ZDUSSCGKSA-N 442.305 1.327 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1689852208 CBKWKURRGFAYBT-LSDHHAIUSA-N 425.555 1.505 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)C(=O)NCC2)[C@@H]1CCS(=O)(=O)C1 1689979418 AMYGZFUPTWBAIP-GOSISDBHSA-N 441.557 1.362 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689988225 LFZZGXNUHLIJTG-LMMKCTJWSA-N 446.577 1.511 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1689989023 ALOBFWXNPKOOCK-PMACEKPBSA-N 449.621 1.675 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690072911 YWHJNKGPNGHMBT-UHFFFAOYSA-N 426.502 1.677 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1690156638 ZOCDHYFXRSVQNC-IRXDYDNUSA-N 440.639 1.319 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1690252712 HYZDNRPQYVWXND-FKKSXTGDSA-N 447.580 1.874 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690658965 FRAZFSYGZBQZKZ-GJZGRUSLSA-N 434.566 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)C(=O)C1 1690665936 UNFQVSMNEBQSJL-UHFFFAOYSA-N 449.515 1.091 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690749390 BGSBMZRAPQOKRB-KRWDZBQOSA-N 430.582 1.615 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1696498711 SUUQJNRDOCRVRQ-UHFFFAOYSA-N 432.550 1.355 30 10 IDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1697665336 GWNALGZHGWROGT-LJQANCHMSA-N 427.505 1.885 30 10 IDEE C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1698452536 WPVRPCVHYXPTMQ-NVXWUHKLSA-N 427.509 1.906 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C4CCC4)CC3)n2CC(=O)NCC(F)F)cc1 1698487178 CNULXWQDBOERBV-UHFFFAOYSA-N 429.475 1.873 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(SC)cc1 1705573955 RAKMCWFOPHWGTE-MRXNPFEDSA-N 431.587 1.926 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1ccco1 1705583236 SXDIEGDYWPJORH-FQEVSTJZSA-N 431.452 1.886 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705583949 QWXAFOBLEQSZSD-FQEVSTJZSA-N 432.933 1.145 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1705590409 KFGNIDGOIHXCJD-XZOQPEGZSA-N 425.533 1.404 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1705652820 OPCIWMNUVFDLOI-UHFFFAOYSA-N 448.593 1.795 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1705737089 JRKURUSPRQPHIG-LJQANCHMSA-N 447.561 1.898 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705806101 WVEPSPSXQWBTIN-KRWDZBQOSA-N 435.594 1.985 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705843905 QPZODHBHHQVHLE-QGZVFWFLSA-N 427.534 1.944 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1705938727 IDHJCRUNMIEXBG-PMACEKPBSA-N 440.566 1.148 30 10 IDEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1)N1CCOCC1 1706256758 FZGIXQGTTNFBHS-FQEVSTJZSA-N 437.548 1.452 30 10 IDEE CCCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1=O 1709797704 HMAKTCBKPNNDNW-JXFKEZNVSA-N 442.520 1.964 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1709850669 WSDSZDFGVGDUQL-IEBWSBKVSA-N 437.548 1.928 30 10 IDEE CCOCc1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710698670 MGOMOUGQUHCKMW-VHEBQXMUSA-N 430.509 1.348 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C)C1 1710902841 CCQGJCULKWZJAU-MRXNPFEDSA-N 432.550 1.904 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](c4cccc(C#N)c4)C3)n2CCOCCCO)cn1 1711251429 INFXKYSALIPANM-HXUWFJFHSA-N 437.504 1.527 30 10 IDEE COCC1(C)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712188916 YBGXQGVMILSPOY-RJCBAWPRSA-N 444.536 1.561 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2=CCCOC2)c1 1722308970 IGGARLGITNRUOO-LJQANCHMSA-N 434.500 1.632 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1722384826 VISALZQESGWYLF-LJQANCHMSA-N 427.530 1.041 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1722391847 WLSHAVNBFLLJFK-KNQAVFIVSA-N 448.589 1.749 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1722421164 GXFJKYNZMNKDCZ-HSZRJFAPSA-N 440.523 1.246 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C(=O)NC)c2)CC1 1722439568 HNUNNGSYAOTADK-UHFFFAOYSA-N 443.555 1.621 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)CCCC)CC1 1722447897 OXPRODOIFHEOHG-FQEVSTJZSA-N 430.597 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCCC)CC1 1722449411 RJJYMFLHKKHPEH-UHFFFAOYSA-N 428.562 1.422 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722695954 WGXXGCXQJWRQBI-KRWDZBQOSA-N 443.939 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722697096 IIJSGCUDMUMTIM-UHFFFAOYSA-N 433.516 1.983 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCOC1 1722697834 QWLUWKTVWQUHRV-OAHLLOKOSA-N 447.565 1.013 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)C1CC1 1722698499 GGBWFRSTISUADE-KRWDZBQOSA-N 429.546 1.651 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1722702951 RUKLMUQIZCAVSN-YQVWRLOYSA-N 442.568 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722725474 MDDRWBGFNGPLIH-KRWDZBQOSA-N 447.561 1.715 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCCC2)CCOC1 1723693179 RONBYHHWMYKGTL-SIKLNZKXSA-N 432.569 1.923 30 10 IDEE C[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C(F)(F)F)O1 1726688763 WOZRTFRVCXHGCW-ZJBIVCKJSA-N 440.426 1.838 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1Cc1ccc(C#N)o1 1727228262 JTJITFBDJBWLHH-MRXNPFEDSA-N 443.552 1.866 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728175358 LBOBNNGKPAFKPU-MEUCICPISA-N 429.525 1.110 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC(F)F)CCO1 1731188141 BRLFYKYEEZCOCR-GFCCVEGCSA-N 431.403 1.604 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)COCCO1 1740537557 FJQBYNJFIPLLEY-QVKFZJNVSA-N 446.577 1.810 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCC[C@H]1CO 1740542058 NEWDPOFFOKYJMP-RXVVDRJESA-N 449.563 1.616 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(COC(C)(C)C)on2)CC1 1740694148 AILTVYIHCMRGCV-GOSISDBHSA-N 441.536 1.336 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740763305 JLLFNIHXFWGLSI-IPJJNNNSSA-N 444.580 1.686 30 10 IDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1740941323 IDVPBJIUXGHFPT-UHFFFAOYSA-N 428.541 1.179 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@H]1COCCO1 1743753933 PWUDRYCBKKPXQO-BZSNNMDCSA-N 440.552 1.974 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ncc(CC)s2)CCOC1 1746732867 BZPBFGYENJXOMW-QRWLVFNGSA-N 432.550 1.921 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1747900591 DCKKDDFASMWSIJ-UHFFFAOYSA-N 437.529 1.863 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1748892047 IBMAVVAGTXWJDN-ZWKOTPCHSA-N 432.546 1.186 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2nnc(C)s2)CC1 1748993517 AKKPWSJLEFHHOH-UHFFFAOYSA-N 428.591 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(N(C)C)CCOCC2)CC1 1749009769 LILMQKNSOYEFGX-UHFFFAOYSA-N 428.581 1.622 30 10 IDEE C=C(Br)Cn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749112819 QENINJMBVWYLBK-QGZVFWFLSA-N 428.331 1.554 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOC)C1 1749115677 UTFUPZVSOQISCJ-FHWLQOOXSA-N 433.553 1.737 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749449118 IFZWKGPEELZXAD-UHFFFAOYSA-N 446.515 1.996 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1749558966 ZTHWYNJPSZXSLG-GUDVDZBRSA-N 443.596 1.595 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1751158562 AZTLFCROLJZJLK-SFHVURJKSA-N 429.569 1.612 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)C1CCCCC1 1751227351 XOPCRQMMOUGAIC-KXBFYZLASA-N 441.577 1.595 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760152056 CXHIEUKAXSHWFB-HXUWFJFHSA-N 438.580 1.380 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760160601 GCUQLLLVJHYLNK-HXUWFJFHSA-N 430.597 1.966 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1760190711 USSYDKPLAUZSHM-QGZVFWFLSA-N 444.605 1.764 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC)c1OC 1760192573 KFGGWSDJESUZMJ-UHFFFAOYSA-N 425.489 1.563 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1760263202 RIOVOMRWPFIFTG-UHFFFAOYSA-N 443.573 1.468 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCCC2=O)CC1 1760268674 VMYDIMUGGWRVAR-UHFFFAOYSA-N 449.559 1.709 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCC 1760294959 KCWFFNYGLWOMQR-HSZRJFAPSA-N 436.564 1.970 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760324472 KQUBGTQKOQLUQV-RYRKJORJSA-N 427.571 1.314 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1760504769 BBSQDQYVALMCME-HLIPFELVSA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760519102 RQNQJWUEOZTMTO-KRWDZBQOSA-N 434.460 1.388 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1760520091 BYKVZBPGLVCWOJ-QGZVFWFLSA-N 425.537 1.775 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760525356 CDGZHMAPKHHHIS-VFCRVFHLSA-N 446.577 1.709 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC2(CCOCC2)C1 1760557026 XVKRECUTLJLCCS-UHFFFAOYSA-N 431.562 1.872 30 10 IDEE Cc1nnc(N2CCC(C(=O)NCCCN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1762544798 KZNYXXVVDLOUFC-UHFFFAOYSA-N 425.537 1.918 30 10 IDEE CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767801383 GYMYLKIJEIAGSZ-UHFFFAOYSA-N 433.472 1.625 30 10 IDEE CNC(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1769320315 LLISBQYFMFTTPZ-QFBILLFUSA-N 442.520 1.588 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2COCCO2)c1 1770308745 MIMRFUIHHYHNLV-GOSISDBHSA-N 445.545 1.894 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)C2CCC2)C1 1770727091 LCTQOMRPPNNSPO-OAQYLSRUSA-N 440.483 1.674 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCOCC2)CCO1 1770749087 UJVXXPRPZDTSKH-KRWDZBQOSA-N 431.928 1.835 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)F)CC1 1771534126 NYVUKFWNODTYOS-UHFFFAOYSA-N 434.426 1.556 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 1851225127 IEQKGJJBDVDWJK-UHFFFAOYSA-N 429.498 1.698 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CCN(S(C)(=O)=O)[C@@H](C)C3)C2=O)cc1C#N 1853953780 IJVSQFPHNGUZGR-LPHOPBHVSA-N 432.546 1.354 30 10 IDEE C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854487462 JAEXJXABROOKAJ-CQSZACIVSA-N 439.921 1.944 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)C2(CCCC2)C1 1855369160 FHHPXJBHXLKXEI-UHFFFAOYSA-N 430.530 1.655 30 10 IDEE CC(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2Cc2cc(Cl)cc3c2OCOC3)CC1=O 1870108864 BGFHXAKSFIFRAA-ZDUSSCGKSA-N 444.879 1.913 30 10 IDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccnc1 1874209847 HVCNLWLEJZPNCB-PKOLSWDWSA-N 435.513 1.649 30 10 IDEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)NCc2ccco2)c1 1874433701 TUCVCYAMNWYETO-AUEPDCJTSA-N 442.501 1.807 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)CC1 1889512764 DGTAAGQCAVMURT-UHFFFAOYSA-N 426.561 1.907 30 10 IDEE C#CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2116268345 JFSZEHYOKOZXLZ-YPMHNXCESA-N 427.299 1.421 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387639 YBWSVXLZZBRVAX-LLVKDONJSA-N 427.332 1.058 30 10 IDEE Cn1nc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2243423017 PZWUAXWPNKEAJV-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE C=C(CS(=O)(=O)N(CCO)CCCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247985227 DNYNWQCLGZYONM-UHFFFAOYSA-N 448.391 1.713 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]12 2248413314 VJQWYHGTMLFFGA-BFKGZMGPSA-N 436.343 1.501 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)COC1 2248445829 RUKGPILEQFGHRM-UHFFFAOYSA-N 438.355 1.957 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254795170 HKKHSZIHUPVTCZ-KBPBESRZSA-N 437.321 1.984 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255701094 MQSLGTMAWRHSLW-UHFFFAOYSA-N 432.326 1.697 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2255836707 CVVOSUUOIUFELL-UHFFFAOYSA-N 447.650 1.785 30 10 IDEE C[C@@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255932629 DEMKPQYWZSVGKI-INIZCTEOSA-N 448.398 1.518 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256594686 BMOINNCHNJOGNR-HNNXBMFYSA-N 430.314 1.939 30 10 IDEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2260809446 RUHGPZFRWXBKHE-WSBBEFFKSA-N 440.346 1.940 30 10 IDEE C[C@@H]1[C@@H](C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267113640 WYCWDRUACWEGBM-ZIAGYGMSSA-N 449.361 1.584 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2267875739 IMLPMPUBUHKONW-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCC[C@H](F)C(=O)O)cc2Cl)OC1(C)C 2284398268 WDTWHWITVUBEPK-VIFPVBQESA-N 427.712 1.792 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)[C@H](C)C1CC1)NC(=O)OCc1ccccc1 2286056105 RZUNNUKXABGJIW-QAPCUYQASA-N 437.518 1.798 30 10 IDEE COc1[nH]c(=NC[C@](C)(CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317503081 JLPWZPDZTVLWCS-OAQYLSRUSA-N 437.346 1.499 30 10 IDEE COc1nc(O[C@@H](CNC(=O)OC(C)(C)C)C(N)=O)ccc1B1OC(C)(C)C(C)(C)O1 2317555746 LTPCYVWITHHTOU-ZDUSSCGKSA-N 437.302 1.147 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H](CCO)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2343485306 COQPHNBLZAICDI-GOSISDBHSA-N 443.353 1.725 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C#N)c3ccc(F)cc3F)CC2)cc1 111220351 RHTYJZWMDSAMIK-FQEVSTJZSA-N 448.495 1.961 30 10 IDEE C=CCOC(=O)NC1CCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169898176 TWKKWRXFUNPMTJ-UHFFFAOYSA-N 444.444 1.874 30 10 IDEE C#CCN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@@H]1CCS(=O)(=O)C1 321070810 PNJRAATWYUGKDZ-LLVKDONJSA-N 448.238 1.462 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1cccc(C)c1C 441191901 UVNOHWDNUWGMLO-UKAVVXHISA-N 427.501 1.975 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 460810263 QKMKVXPOWHIAOK-IAGOWNOFSA-N 435.554 1.262 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 463351863 QRVRLHQOACQTLJ-UHFFFAOYSA-N 430.452 1.895 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 480116461 ZHQSYYDDHLCLQB-DOMZBBRYSA-N 433.515 1.311 30 10 IDEE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)cc1 503627006 IRPCIUBFBNCQSC-UHFFFAOYSA-N 426.498 1.994 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1F 508828612 QAENWNMVGHQHQW-QGZVFWFLSA-N 439.513 1.451 30 10 IDEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 508880046 JPVOWWSEVYBSJL-QZTJIDSGSA-N 440.614 1.529 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 524122732 MRBICXSCNZVMTQ-ZDUSSCGKSA-N 449.454 1.311 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@](C)(C#N)CC(C)C)c1OC 534596238 PULQCXVMUYLEMD-FQEVSTJZSA-N 439.534 1.783 30 10 IDEE C=CCNC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 538593767 IGKGMDNITJLFOX-CQSZACIVSA-N 430.324 1.021 30 10 IDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546875063 RPSJFGSNUKFZQZ-UHFFFAOYSA-N 442.545 1.429 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 553435933 FOQRKGWYTLBCBQ-UHFFFAOYSA-N 425.404 1.333 30 10 IDEE COc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc(F)c(C#N)c3)C2=O)c(OC)c1 553914996 BYISSLQSLGULGG-SFHVURJKSA-N 433.461 1.794 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)n1 571137378 YEDIBQPSKYSXSN-KRWDZBQOSA-N 439.537 1.755 30 10 IDEE COc1cc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)c([N+](=O)[O-])cc1OC 585227033 ITMXBDIXXQIONI-UHFFFAOYSA-N 426.433 1.920 30 10 IDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)C(=O)NCc1ccc(C#N)cc1F 586860548 JNVWFTHQRHLZMU-UHFFFAOYSA-N 447.488 1.645 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603799331 KXQRLZGYNYGBTQ-UHFFFAOYSA-N 446.488 1.897 30 10 IDEE C#CCN(C(=O)CSc1nnc(C)n1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 729330771 DNYSKFPWEVUFJY-OAHLLOKOSA-N 434.543 1.325 30 10 IDEE COCCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)cc1 730565043 PMTRCWWSCBBWIM-UHFFFAOYSA-N 442.537 1.454 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)CCN1C1CC1 732706918 RORZWUGALCTLBM-SFHVURJKSA-N 439.903 1.687 30 10 IDEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 733201357 KAVTVNJGDOTEPF-SFHVURJKSA-N 429.546 1.668 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 733761601 VBMHRDVZOFMSJF-NVXWUHKLSA-N 441.488 1.889 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCCN1Cc1ccccc1 742484164 BATDDAISLOUELN-GOSISDBHSA-N 426.542 1.896 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCc1ccnc(C#N)c1 746953427 HYPBBDHZAQXOFP-XOBRGWDASA-N 425.466 1.878 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)cc1 751817190 FMWISBDICHDFSG-UHFFFAOYSA-N 425.464 1.583 30 10 IDEE Cn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(c4cccc(C#N)n4)CC3)nc12 760549571 BCMSJYBAXQEWKW-UHFFFAOYSA-N 432.513 1.764 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 767864190 NTPJEFHLEYPBDI-HSZRJFAPSA-N 428.533 1.320 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1CCN(c2ccccc2OC)CC1)c1cc[nH]n1 772154585 DBULSAIYFOODNO-UHFFFAOYSA-N 429.477 1.487 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 772885440 WFIGZFSYPPVNPM-DYVFJYSZSA-N 445.545 1.454 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@@H]1CCCO1 772899416 IDEXZGJDBJLVNO-SFHVURJKSA-N 448.548 1.666 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 788813205 CIABJXDIYHWAAJ-INIZCTEOSA-N 443.529 1.009 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Cn3cc(Br)cn3)on2)n1 788815169 LVFVECWYAPNQIA-UHFFFAOYSA-N 447.293 1.800 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc3cnccc23)c1=O 794647256 MXCKLYCTKHMYDQ-SFHVURJKSA-N 429.501 1.590 30 10 IDEE C[C@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)n1cnc(C#N)n1 798747614 KVLJKTNDQXOODO-ZWNOBZJWSA-N 436.350 1.560 30 10 IDEE N#C[C@H]1CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CCN1C1CC1 799249070 KNCPFZISKSUYAX-HNNXBMFYSA-N 435.326 1.885 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccccc1 802262734 QUNPDROFNAVMLK-QAPCUYQASA-N 429.550 1.113 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 809895695 ZBWMEBHXNQOGMT-UHFFFAOYSA-N 448.549 1.362 30 10 IDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)Cc1cn(C)nc1Cl 815926186 FWIBEDURKILSSL-UHFFFAOYSA-N 443.847 1.539 30 10 IDEE COC(=O)CCS(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918161288 AZNNBWUPWXFUBK-KNTRCKAVSA-N 431.536 1.584 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cn1 1084322912 MDMZEQHYZDZVJF-UHFFFAOYSA-N 442.465 1.459 30 10 IDEE COC[C@@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)CN(C(=O)OC(C)(C)C)CCO1 1141569036 XCGYSHADTVIOAE-JOCHJYFZSA-N 445.520 1.254 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1152947507 UQSLURIQLKFNRF-CLFYSBASSA-N 442.493 1.694 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1152973455 KIJROJPHCLTLLA-KRWDZBQOSA-N 448.545 1.137 30 10 IDEE Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)CCn2cc(C#N)c(O)nc2=O)cn1 1156374046 BWWHXHNMWIBBCV-UHFFFAOYSA-N 426.864 1.827 30 10 IDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1164624891 CELYLCDKZUYCNN-PBHICJAKSA-N 437.518 1.232 30 10 IDEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CCOCC1 1167409583 JMZLEUKQZAXKRF-INIZCTEOSA-N 434.436 1.798 30 10 IDEE O=C(c1cnn(C[C@@H](O)CO)c1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605552 UIUMENRPVSMORY-BBBLOLIVSA-N 437.287 1.479 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 1184235406 KWFIHMOTMKLHMJ-IRXDYDNUSA-N 434.518 1.066 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286323200 GNVNONCFGZDFTJ-SJORKVTESA-N 426.525 1.508 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1286324783 RHPPBBHLADNSMZ-MSOLQXFVSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc(CC)n1CCN1c2ccccc2C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286392859 HRHQLRWMKDPQSG-IEBWSBKVSA-N 427.574 1.918 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCO1 1286466872 KMVXRYRSIDAYII-LJQANCHMSA-N 425.537 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCOC(C)C)CC1 1286485397 KEOBELHKUFOYKY-UHFFFAOYSA-N 444.580 1.685 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)C 1286563086 NZTMNBZEQDKODH-ZULIPRJHSA-N 435.569 1.944 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](OC)C1 1286821458 LZDMAYDIDSZJNI-AWEZNQCLSA-N 426.489 1.973 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@@H]2CCOC2)cn1 1286970644 PXQHVTQSXJWDIB-IAGOWNOFSA-N 426.525 1.397 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)N2CCOCC2)CCOC1 1288304298 DCTYOSPUFRWQLP-DZFGPLHGSA-N 436.532 1.481 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1288991208 QJCASBOXWJLUFE-IBBQJSRESA-N 435.488 1.173 30 10 IDEE Cc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1292293385 UXYFIEAUHWWYQU-UHFFFAOYSA-N 427.354 1.982 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1294887269 GKNPIPXGDACBHW-QHCPKHFHSA-N 437.548 1.644 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1295161273 CCVCQJAHCGCEIZ-ADKRDUOOSA-N 447.586 1.741 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC(C)(C)C 1297509413 CMXDXSGOBKTFKI-OAQYLSRUSA-N 430.461 1.364 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2COC(=O)N(C)C)s1 1297611875 XEUWRZPKXQYFIH-AWEZNQCLSA-N 429.564 1.834 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1300303856 LMIBYWOMMWPLFC-PBNKOMEISA-N 438.557 1.951 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1300503580 FAAACUCIFFZEFX-MOPGFXCFSA-N 446.577 1.193 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H](C)C1 1300654615 BBLIFMRQEJJMHC-MSOLQXFVSA-N 436.520 1.822 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H]2COCCO2)CC1 1300703963 WZZGUSPNARYTKO-HXUWFJFHSA-N 425.533 1.438 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC 1300806489 WWFPEQXIBAQSJF-MAUKXSAKSA-N 427.596 1.356 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC[C@H]1C 1300812427 VCWRMEMCJQLWNY-VQIMIIECSA-N 447.561 1.739 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](C(=O)OC)CC[C@@H]3C(=O)OC)n[nH]2)c1C 1300922833 NCMJZIJCSFHPGE-RHSMWYFYSA-N 429.477 1.643 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300993539 BTMZHLYUUVCHRS-UHFFFAOYSA-N 427.553 1.067 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1301216914 USZBURJIYWNXMG-IBGZPJMESA-N 443.596 1.766 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1301500064 IZXTXVIVZCYEMO-CQSZACIVSA-N 431.493 1.878 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1302028057 LLUBZRIMZNMGKY-QAPCUYQASA-N 443.545 1.801 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1303448784 ZBHNGYYIEKQGMP-ZDUSSCGKSA-N 433.310 1.961 30 10 IDEE C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1305562580 VMFPHZVCUHPZNB-MCIONIFRSA-N 436.534 1.676 30 10 IDEE Cn1ccc([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)n1 1312458312 RNWVISBVFOVJJH-POZUXBRTSA-N 433.921 1.743 30 10 IDEE N#CCc1ccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1312830693 ZGRTUPPTLRGFOU-UHFFFAOYSA-N 442.497 1.396 30 10 IDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1)S(C)(=O)=O 1313802184 VPCVVCYCXODMLO-KRWDZBQOSA-N 438.598 1.974 30 10 IDEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1314647667 CAZKVQXRLQCBQO-MOPGFXCFSA-N 428.562 1.780 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1316085765 GPZOGXOVLQWRLO-QZTJIDSGSA-N 437.504 1.032 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOCC2)CCO1 1316539881 GXNGXNINIUZHMP-IBGZPJMESA-N 430.940 1.973 30 10 IDEE C=CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1351497815 BGBFZPMUXDZMIA-JKSUJKDBSA-N 435.527 1.766 30 10 IDEE C[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1357556747 IHOBQAFAQZPSEL-KRWDZBQOSA-N 441.532 1.675 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1358964871 IWPBMWGJFOYAHV-SFHVURJKSA-N 447.536 1.161 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1358994560 QBIVNJKQDPSDCA-SFHVURJKSA-N 449.540 1.272 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccccc2)CC1 1359030997 MPWMBZABIAGJOK-HSZRJFAPSA-N 425.533 1.764 30 10 IDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCC)CC1 1359031088 PORCMJFRQVJSLW-UHFFFAOYSA-N 445.593 1.338 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359043252 NMUALQQACLZLGO-ICSRJNTNSA-N 440.548 1.301 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359048003 BDMMMGWKDPCJKN-OAHLLOKOSA-N 428.518 1.681 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNC(=O)C(C)C 1359103973 WFFDNEAUIFKGLC-FXAWDEMLSA-N 432.569 1.590 30 10 IDEE C=C(C)COCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1359136715 STRQYLDNXGXFKQ-JTAQYXEDSA-N 449.596 1.680 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359303101 DKOUUZZUFGNMPF-FDDCHVKYSA-N 441.532 1.586 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CCOCC2)C1 1359314379 ZQDHCUAJZWILGO-IAGOWNOFSA-N 441.598 1.876 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)CCOC1 1360347658 LDAOTFYNRAQQAZ-XLIONFOSSA-N 436.582 1.096 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)s1 1447513304 ORYZBZXUKMFADT-IBGZPJMESA-N 433.555 1.763 30 10 IDEE C#CCN(C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)[C@H]1CCS(=O)(=O)C1 1459746029 XNNPBVXJKVVNGX-ZWKOTPCHSA-N 444.475 1.289 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1 1467813934 GSVXHVQLSQDGDB-ZCNNSNEGSA-N 446.592 1.838 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1468715263 KGAORLFBQMROKW-HXUWFJFHSA-N 442.560 1.870 30 10 IDEE N#CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1471237381 SHOPCKHIEBOZGS-INIZCTEOSA-N 435.506 1.053 30 10 IDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 1474863717 FOYZKKYJBGOIDU-UHFFFAOYSA-N 430.486 1.188 30 10 IDEE C=CCOCCCNS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1475503524 WJENTTBYVNNWMQ-UHFFFAOYSA-N 439.271 1.949 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCN1CCC[C@@H]1CO 1499153076 JVJKXFMVBSIWFG-HXUWFJFHSA-N 438.580 1.671 30 10 IDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1503930648 MAODENVYWKCNEP-RDTXWAMCSA-N 437.504 1.618 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507629692 WAUQZAPGWUURCC-ZWKOTPCHSA-N 431.493 1.428 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1Cc1cn(C2COC2)nn1 1507676902 SAQPTJVNLYOIHR-UHFFFAOYSA-N 431.500 1.840 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCOCC2CCOCC2)CC1 1507723480 JUSSDTWJGBTMCM-UHFFFAOYSA-N 425.537 1.324 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507728983 XWXARIZBQIRRPT-NRFANRHFSA-N 441.601 1.643 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1507731548 LKFKMUNKMJOXDD-RBUKOAKNSA-N 432.569 1.698 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCC(=O)NC2CC2)CC1 1507741667 YKQMMXRAZJFRLE-GOSISDBHSA-N 428.537 1.154 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1507750692 BZJWITXQAVHFRX-IAGOWNOFSA-N 438.619 1.678 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1507954053 KJSDPOLOCDKYIX-CVEARBPZSA-N 427.571 1.581 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1507990713 ICPKABWOXXQNFO-HNNXBMFYSA-N 430.534 1.905 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1508058794 FSLVMRYKXCJLTO-RTBURBONSA-N 447.561 1.593 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC(=O)N1C 1512497142 HCSQAVSPHBNQOS-AWEZNQCLSA-N 434.447 1.677 30 10 IDEE CCS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516853907 PYKUOBUMTUEPFU-UHFFFAOYSA-N 445.549 1.410 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@H]1NC(=O)CC1(C)C 1519167328 AQZZYWDUXYEMJO-INIZCTEOSA-N 431.566 1.915 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1519606931 QSXAXWYXFMLOHY-IRXDYDNUSA-N 430.534 1.657 30 10 IDEE N#C[C@]12CN(C(=O)COc3ccc(Cl)cc3Br)C[C@H]1CS(=O)(=O)C2 1539119788 ZTCUAIQVLPUBIT-ZUZCIYMTSA-N 433.711 1.878 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539216441 RXVHDCJMHSIXLP-LJQANCHMSA-N 441.557 1.521 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(N(C)C)CCOCC1 1539252088 YLVLMIOZQBAPJD-UHFFFAOYSA-N 435.528 1.900 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1539284273 KUOCUAYUQXVENN-MRXNPFEDSA-N 433.559 1.551 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1539296254 NSCFNPGDEXDQMG-INIZCTEOSA-N 439.545 1.470 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1539305043 NHWGCPZJJZONGQ-UHFFFAOYSA-N 441.557 1.695 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1539368654 ALIQXLHGGGBJSP-HXUWFJFHSA-N 438.557 1.933 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1539447858 XNTXDGGBGRMLQT-OAQYLSRUSA-N 436.560 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2cccc(C(N)=O)c2)CC1 1539483337 XQOZQOVIBPBSHG-UHFFFAOYSA-N 436.560 1.784 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(C)(=O)=O 1539552616 XMXJDALLFKBPIY-OAQYLSRUSA-N 439.545 1.672 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1539751028 FXRGTEWQEVAPBC-WMZOPIPTSA-N 434.566 1.848 30 10 IDEE COc1cc(OC)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C=O 1540648110 WKWCCFFWDKUGEU-UHFFFAOYSA-N 443.481 1.535 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1540875380 JUSFYPZPCXVSSB-UHFFFAOYSA-N 426.521 1.469 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCC2)C1 1540907911 MHPRPXYVDMTDQB-IRXDYDNUSA-N 440.566 1.362 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1541095635 IROUAOQFQIBRPS-UHFFFAOYSA-N 425.537 1.785 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1541137288 OJKMUCZQACVGAD-QHCPKHFHSA-N 435.532 1.838 30 10 IDEE COC(=O)CCN(CC#N)C(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1544787219 STGAOUPRAMTPLO-KRWDZBQOSA-N 449.305 1.893 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1548299078 DUEHXFTWSCHGDN-OAHLLOKOSA-N 428.522 1.368 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCOCCS(C)(=O)=O 1554162593 CYVQCZFWZHRWBW-UHFFFAOYSA-N 440.529 1.909 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1555994432 WPBIASSURIEKHP-IRXDYDNUSA-N 433.463 1.425 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OC 1561929256 MPALJCGOJDJJFN-GFCCVEGCSA-N 425.429 1.493 30 10 IDEE CNS(=O)(=O)c1ccc(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)s1 1563540032 BJXLZBUAGHSHNC-UHFFFAOYSA-N 433.559 1.996 30 10 IDEE CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1567248874 BXXKFMVAEAJXHA-RTBURBONSA-N 430.553 1.006 30 10 IDEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OCC 1569184551 QXFGFDWYPVATOT-AWEZNQCLSA-N 433.324 1.985 30 10 IDEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)c1ccccc1 1570677780 NREHLCYGKHSWLC-MOPGFXCFSA-N 434.539 1.259 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)cc1 1586111333 ZPKFRLSHDOAMFZ-HXUWFJFHSA-N 445.479 1.137 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1594829954 RDGFALGUTGWVFJ-XFKSJGNHSA-N 433.553 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595758717 CCKWYNRFUYZWCR-MOPGFXCFSA-N 439.626 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1595805512 QBLZCYSTCUVROT-UHFFFAOYSA-N 437.545 1.333 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1CN1CCNC1=O 1597873063 SWIUYFVHITWULL-UHFFFAOYSA-N 441.513 1.669 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 1612576556 HKOWVZFRLWBECF-LJQANCHMSA-N 446.485 1.657 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613267316 IAVUVHGFNZNQEN-DXNFXHBHSA-N 430.509 1.707 30 10 IDEE O=C(Nc1ccccc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1614388609 IAXMDYNWVLZKBJ-UUKVCBHOSA-N 427.482 1.857 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1614957482 BKMJSRUEMLZQES-UHFFFAOYSA-N 439.520 1.028 30 10 IDEE CCNC(=O)c1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)cc1 1615930037 BLYYHZSANWXJON-HXUWFJFHSA-N 448.531 1.667 30 10 IDEE CN(c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1617738422 KFBYJILEGHUMCC-HMWBCQRISA-N 425.518 1.808 30 10 IDEE C[C@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CCO1 1617894147 BRCFHJOEXJTLIE-KRWDZBQOSA-N 442.335 1.988 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1618678051 APGGKWKOTBWLBF-UHFFFAOYSA-N 449.519 1.360 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1O 1620299689 BZQXARWBLOEYKT-QAPCUYQASA-N 433.534 1.085 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCOCC2)CCO1 1620356159 SWTCPNVUKNTTEY-AWEZNQCLSA-N 446.458 1.158 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1623771504 UJIVXSOSINJINR-DZGCQCFKSA-N 434.378 1.917 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 1624598520 IXFAJDWEUSOFMN-INIZCTEOSA-N 429.473 1.901 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNc1ncccc1C(F)(F)F 1624980050 KDNKEAYWVPQPHJ-GFCCVEGCSA-N 441.435 1.867 30 10 IDEE CN(C)CCCN(CCC#N)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1625694710 YIJWSJNFHVKFEF-MRXNPFEDSA-N 430.571 1.105 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 1629382675 FBLPSUAKIKGERP-QHRIQVFBSA-N 428.917 1.859 30 10 IDEE C#CCN1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1629536869 GQYTZIRDWKEIED-UHFFFAOYSA-N 437.871 1.805 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)c1 1632288492 DGSOJPISFINURL-UHFFFAOYSA-N 437.562 1.687 30 10 IDEE C#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1637986057 JIFHCXBTZOBYDL-GFCCVEGCSA-N 435.365 1.412 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C1CC1 1640458335 DKZRBCBERAECDF-KSZLIROESA-N 447.557 1.797 30 10 IDEE CC(C)N1C(=O)c2ccc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc2S1(=O)=O 1640916833 VYUMWIWHKKADKI-SFHVURJKSA-N 427.482 1.917 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)s1 1643065768 IESSGPPWEGKFJO-CYBMUJFWSA-N 429.564 1.881 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H](CO)Cc2cccc(F)c21 1644197115 JMJHLBQTPXPZLZ-AWEZNQCLSA-N 431.489 1.842 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H](F)C1 1648269646 WQORINSZPKOBJP-KGLIPLIRSA-N 440.497 1.189 30 10 IDEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cncc(C#N)c3)c2)CC1 1652271745 YDLHTHWZRYOPMH-UHFFFAOYSA-N 447.948 1.863 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 1654309349 XPPJUYSKRCLGEW-UHFFFAOYSA-N 432.571 1.564 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1654346050 ORPVQCVWGGXKEZ-UHFFFAOYSA-N 440.569 1.593 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@H]2C2CC2)CC1 1655716787 OGEFBLRYGRUNHL-ROUUACIJSA-N 436.603 1.356 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2c[nH]nc2-c2ccc(Br)cc2)CC1 1658787696 GMYLVMWDWHJIRO-UHFFFAOYSA-N 438.351 1.424 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1671028106 WGBCORGMIJZTCS-JCGVRSQUSA-N 426.901 1.638 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1682436648 JDKZTPYKPWFWNR-KSZLIROESA-N 436.553 1.831 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N(CCN2CCOCC2)Cc2ccco2)C1 1686055203 HENKQHZKZLSICE-MJGOQNOKSA-N 447.536 1.882 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1689959742 LPEQDXRUGLEOPD-QGZVFWFLSA-N 443.577 1.566 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1689966579 WDUXKRWWSMAJGQ-SJORKVTESA-N 448.568 1.961 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689988574 RUANKTDPGAMSJJ-RTBURBONSA-N 442.589 1.760 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1690096750 ZRYLWQYLBKJAAY-OAQYLSRUSA-N 448.545 1.240 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690242784 CMQKGYINLSFUIB-AOIWGVFYSA-N 448.593 1.783 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690430345 ISUHFQAFRGVJHI-KRWDZBQOSA-N 444.580 1.702 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1690431013 YRUJSANTVHGBEH-ROUUACIJSA-N 445.612 1.868 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1690527070 IYJAYTCOIQOFHE-BBWFWOEESA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1690661987 NLXFKFNSXSDGJS-HSZRJFAPSA-N 433.516 1.806 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnn(C)c1C 1690662229 VPDCULHPRHGJDD-UHFFFAOYSA-N 439.520 1.943 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1 1690683491 MCONSPHIFSUKBN-SJORKVTESA-N 445.545 1.105 30 10 IDEE C=CCSCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690750196 CMYGHXLACZHOLR-MJGOQNOKSA-N 436.626 1.723 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1COCCO1 1694132509 ZFFCXOAEIYVQRJ-IKGGRYGDSA-N 426.525 1.584 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CCN2C1=O 1695778153 LXJKXUSBHGESMZ-KRWDZBQOSA-N 437.504 1.450 30 10 IDEE COCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cs1 1697829366 HCECLLOJUHZBNY-NWDGAFQWSA-N 427.556 1.135 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705611003 MLGSVWSCWBFRIF-SJLPKXTDSA-N 429.550 1.399 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SC)C1 1705651653 FBFWBRAMDYVUFN-CABCVRRESA-N 431.653 1.977 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1705754910 IFUIPVBQVHJPGE-ZDUSSCGKSA-N 446.986 1.499 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)S(=O)(=O)CC)CC1 1705769217 MLPZEWWKRFOOSS-MRXNPFEDSA-N 445.611 1.008 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1705805939 SRCFNMZKNACGLI-QAPCUYQASA-N 426.518 1.409 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1)C1CC1 1705853833 FXYGQZZZICYVRM-SFHVURJKSA-N 439.582 1.583 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1705946817 RRZUXGYNUJXZFB-IKGGRYGDSA-N 441.623 1.909 30 10 IDEE COCc1nocc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1712230418 YAAMFUDDYVBATO-HNNXBMFYSA-N 434.522 1.493 30 10 IDEE COCCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1712609291 ASUFZINPVFFSSS-PXNSSMCTSA-N 439.582 1.753 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)C1 1712875788 HUHXCDLYOJBQRF-IFXJQAMLSA-N 437.472 1.840 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)Cc1ccccc1 1722370192 IRIHCMKJFKYZRS-UHFFFAOYSA-N 439.541 1.202 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(CC)C1 1722375855 SRAJQDLGOIFABV-SFHVURJKSA-N 425.558 1.763 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC[C@@H]1C 1722688977 OXISNAUPZAVREX-AWEZNQCLSA-N 447.565 1.074 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722693489 PRDVRRZLAUENBQ-MRXNPFEDSA-N 441.492 1.508 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1722699420 IAIDLWDHMLTXLP-UHFFFAOYSA-N 432.956 1.997 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722721552 UODJSHTYKZFPSQ-RTBURBONSA-N 430.553 1.440 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)C1 1722722921 ULYNZBYTQCYVGP-GOSISDBHSA-N 432.550 1.081 30 10 IDEE CC(=O)NCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1722856762 YPDXPVYADLAGIQ-DOTOQJQBSA-N 449.556 1.709 30 10 IDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCc1ccco1 1727613022 BQWCKRCNVJNMOX-UHFFFAOYSA-N 433.516 1.944 30 10 IDEE CCn1cc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1728531660 FBPDWSOQKBWQHW-ZZEZOPTASA-N 435.492 1.652 30 10 IDEE COc1ccc(COCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1730173200 BVFMDEABTVEVHB-UTKZUKDTSA-N 428.468 1.897 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 1740604606 CVQNALFICHOYCD-IBGZPJMESA-N 448.579 1.264 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCN(C(C)=O)CC1 1740635640 LXQBVMCOBXINKP-UHFFFAOYSA-N 442.926 1.975 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1740773809 DQZBIVYGXGSFQV-ZWKOTPCHSA-N 440.614 1.354 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740817664 OVOQJDHKOXIEJY-SQNIBIBYSA-N 425.961 1.913 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1740897601 NXALFSKCFDGLCK-UHFFFAOYSA-N 445.549 1.407 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccs1 1740951510 HOIOVYODZWLBAD-KGLIPLIRSA-N 438.579 1.594 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1[C@H]1C[C@@H]1C 1741937273 AZHMFAPCGWIANN-DEYYWGMASA-N 447.540 1.807 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cnnn2)cc1C 1742249329 ARLAKXMYCJQXCP-FQEVSTJZSA-N 438.471 1.666 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1748802932 UGOAHMIPCGNMBL-CQSZACIVSA-N 429.493 1.186 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1748892554 RAHJEDWFRAJPGA-MOPGFXCFSA-N 447.605 1.900 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1748929875 RKPUGUKTMUROFI-KRWDZBQOSA-N 447.536 1.517 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1748944711 BWUJKUXDTHYSNY-MRXNPFEDSA-N 443.508 1.136 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(OC)c2)CC1 1749009536 SHERTXHMNPXGKO-UHFFFAOYSA-N 447.543 1.896 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749046555 BEEDFLPBPBTLGN-KRWDZBQOSA-N 437.529 1.309 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1749553758 VKOZJXRNBGIBOU-SLFFLAALSA-N 444.580 1.774 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749629879 JVMJMDSHYNTYSK-ZDUSSCGKSA-N 435.472 1.261 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749641072 UBQNWZVDHHPXRH-LJQANCHMSA-N 435.488 1.681 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2csc(C)n2)CC1 1749670496 SBDQRQNRPPAOLK-SFHVURJKSA-N 445.593 1.909 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749672503 WDNNFQNCLQWAOV-MOPGFXCFSA-N 429.496 1.694 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749682859 BHMVJWDWXNKBPT-NIRMNWTQSA-N 449.552 1.079 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1752007699 SALVWYVIZFQLGK-CEXWTWQISA-N 431.585 1.903 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1760218524 IRFVSEUSMWGSTA-KRWDZBQOSA-N 440.529 1.182 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(SC)CCOCC2)CC1 1760262391 NXTKBVPZRZNLGW-UHFFFAOYSA-N 426.590 1.931 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2scnc2C)CC1 1760270193 UEVVGEHBWBKZPS-QGZVFWFLSA-N 428.562 1.755 30 10 IDEE C=CCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513066 IQDSPQKXHGOBQB-AUSIDOKSSA-N 446.596 1.638 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)CCOC 1761880872 LGWLSNUNVPFZCU-SFHVURJKSA-N 426.569 1.963 30 10 IDEE CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1766295451 DXQSHVGDQJEZQK-OXQOHEQNSA-N 448.524 1.854 30 10 IDEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CCCNC(C)=O)c2ccccc2c1=O 1767165840 ASYKNHISCCRSBE-UHFFFAOYSA-N 448.531 1.941 30 10 IDEE CN1CCN(CCn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1767526917 IFGZBEKANWHLQX-LJQANCHMSA-N 441.555 1.763 30 10 IDEE CN(C)CCN1CCC(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1768511844 DGRBTXFRQMKHNE-NRFANRHFSA-N 438.580 1.266 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)CCO1 1769260900 JMUDLNNSFPVXPO-FGTMMUONSA-N 442.520 1.661 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCOC2)c1 1771343688 HPEBHMOPCOXGAO-KRWDZBQOSA-N 429.502 1.424 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)ON3C(=O)c4ccccc4C3=O)CC2)cc1 1772790873 UOOAXYADJMJKQJ-UHFFFAOYSA-N 444.465 1.850 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1853745978 FHBHOUGQZDVVAK-LJQANCHMSA-N 433.530 1.612 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2sc(-n3cccc3)nc2C)C1=O 1854226926 SHFZIXIAQMIMAJ-JKSUJKDBSA-N 427.530 1.702 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)Cc1cccnc1Cl 1855953501 JUFBNDLZJBPZEZ-UHFFFAOYSA-N 432.889 1.928 30 10 IDEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc4ccccc4c3)C(=O)C2)C1 1856854289 CILPJPUIEIHYDP-IBGZPJMESA-N 426.498 1.052 30 10 IDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870109236 OHNNOCYOADNPIJ-INIZCTEOSA-N 430.424 1.888 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN(CC)CCO 1870736934 WWOJTOKMZSNSJQ-UHFFFAOYSA-N 445.516 1.883 30 10 IDEE COc1cccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1OC 1873528792 HOWWYCGSVWYOHK-KEGHGJGQSA-N 426.882 1.720 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2248403449 GOQUXKMWTXRRDV-LBPRGKRZSA-N 441.721 1.858 30 10 IDEE C#CCNC(=O)CCNC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2248464102 YEOPVFZWSXEMQF-UHFFFAOYSA-N 429.517 1.696 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1 2255769894 SNNBNFWQVZMRFU-QGZVFWFLSA-N 446.382 1.272 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2255831824 CKPAWIVFFCODME-LSDHHAIUSA-N 434.346 1.988 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007730 AMYNLNDPQBFRKS-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2267112555 IRMDEKUFBZJPFR-CQSZACIVSA-N 449.361 1.491 30 10 IDEE CCc1nn(C)c(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267143821 NGRAFGSJBYHKQS-HIFRSBDPSA-N 448.373 1.925 30 10 IDEE Cc1nn(C)c(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267144218 SRSJHFOWEBODPO-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2267178330 AIUXVFVTMKYGLQ-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2267280893 ROMFNOXGDPLQDC-MOPGFXCFSA-N 439.321 1.880 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)n1 2267541583 GCKSVDHBCCZXKM-UMVBOHGHSA-N 447.345 1.242 30 10 IDEE C[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)C(F)(F)F 2267586479 KVWSHOOYQQNSES-SWLSCSKDSA-N 441.259 1.910 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2267597167 ORHHDJLJZLCFEA-XMMPIXPASA-N 439.365 1.691 30 10 IDEE CN1CCN(C(=O)c2cc([C@@H]3CN(c4nccc(C#N)n4)CCO3)nc3ccccc23)CC1 2296587814 QKCGGULIYWJCKY-QFIPXVFZSA-N 443.511 1.862 30 10 IDEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=S)NCCN1CCOCC1 2323045650 CDTXDTFDHGJLQI-UHFFFAOYSA-N 425.511 1.522 30 10 IDEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccco2)CC1 36211636 CXJIDDNZDNFDAA-FQEVSTJZSA-N 439.468 1.961 30 10 IDEE CC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@H]23)[C@H]2C(C)(C)[C@@]21OC(C)=O 108968412 OMHXSAMFEJVCPT-IFFZNMPVSA-N 448.512 1.072 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1ccc(F)cc1 302749771 KKWIUEWEBPWJGH-UHFFFAOYSA-N 430.505 1.662 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 427166105 AKNVXNGQQTUGCL-IEBWSBKVSA-N 434.562 1.328 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CCN1Cc1ccccc1 463276346 YHCLNEITKDTTEW-HXUWFJFHSA-N 438.507 1.977 30 10 IDEE N#CCN1CCC(CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 464793836 KYCVGMOWXRDOCY-UHFFFAOYSA-N 435.322 1.916 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC(=O)N2C)cc1 465460073 SWXORKGGOAVOHJ-RRMPHLOHSA-N 434.500 1.614 30 10 IDEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2cc(C#N)c(SC)nc2O)C1=O 472410347 PIAVRIRNGVQOBY-LBPRGKRZSA-N 432.483 1.764 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 478759424 XSJLDLTZEHQBEK-IRXDYDNUSA-N 442.512 1.727 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCN(c4ccccc4F)C3=O)CC2)o1 489674892 GTESBHTVYNNDJF-LJQANCHMSA-N 440.479 1.380 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)CC1 502569207 FMQURSYDTSRQNJ-LJQANCHMSA-N 440.525 1.505 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508694780 CQXFRQBGOKLYHV-UHFFFAOYSA-N 425.493 1.784 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@H](C)C1 508911280 HWRZWYNTSBRFFW-MRXNPFEDSA-N 433.582 1.581 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)c(C)c1 514305631 AWBIPKJJQNCDSW-IBGZPJMESA-N 437.565 1.831 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)N3CCC(C(=O)OCC)CC3)cc2C1=O 523300101 XRHRPKRUKLESPZ-UHFFFAOYSA-N 441.484 1.342 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 553056196 VIIJKGWPYZUOMT-UHFFFAOYSA-N 431.412 1.741 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 555256747 QMXNNIDGAFCZNT-OAHLLOKOSA-N 438.575 1.796 30 10 IDEE COCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)s1 586300319 UMKGANKEZUEMRE-NDEPHWFRSA-N 439.544 1.432 30 10 IDEE COc1ccc(-n2cnnc2SCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 591744318 RTCCJVAZUGCPLM-UHFFFAOYSA-N 435.513 1.983 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C#N 604000164 SZCVZMITMQVIBB-UHFFFAOYSA-N 448.479 1.175 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCCN2CCCS2(=O)=O)CC1 608778741 XKWKTGXSRNLYGA-UHFFFAOYSA-N 447.517 1.564 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(Cc2n[nH]c(C)n2)CC1 611431362 UNYMPZFANDFIGA-UHFFFAOYSA-N 428.541 1.196 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 685550862 IUGMFQKMOFYXKI-QZTJIDSGSA-N 433.534 1.844 30 10 IDEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c1 727417537 GXLUOWORTYIYQK-UHFFFAOYSA-N 434.477 1.232 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729671518 JTYDZIZFMYFSAX-UHFFFAOYSA-N 430.489 1.590 30 10 IDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)s1 736584117 ONIKLZMJZXJVGD-OAHLLOKOSA-N 446.598 1.437 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 754872434 BGAMEYFOQXCIJB-MJGOQNOKSA-N 434.899 1.922 30 10 IDEE COc1ccccc1N1CC[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 757168847 NDPYMYKIFQXXJP-MRXNPFEDSA-N 442.541 1.909 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](O)(C(=O)O)C1 757346005 HWGSOPRTZNNKNR-BWKNWUBXSA-N 448.475 1.965 30 10 IDEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 765539080 GURIRADCROBYAV-IBGZPJMESA-N 448.932 1.895 30 10 IDEE COc1ccccc1COC1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 770271169 BVOXIAZKOZRCHP-MRCUWXFGSA-N 428.489 1.912 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCCN3CCOC3=O)ccc21 787881467 HOSFGFUMXVTSIY-UHFFFAOYSA-N 427.461 1.167 30 10 IDEE O=[N+]([O-])c1ccn(C2CCN(CC#CCN3CCC(n4ccc([N+](=O)[O-])n4)CC3)CC2)n1 792880594 GSMIFRBGBNMWRG-UHFFFAOYSA-N 442.480 1.873 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 794612202 HQHZURVPJAEAFL-QGZVFWFLSA-N 435.505 1.639 30 10 IDEE CC(=NNC(=S)NCCCN(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 797402819 PSNXFNGIXIWZOA-UHFFFAOYSA-N 436.401 1.236 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(CC#N)CC2)cn1 797426414 UDZVTNOISZFTFX-MRXNPFEDSA-N 431.566 1.596 30 10 IDEE C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 803923426 NCNDPQSKYXGLQD-GFCCVEGCSA-N 431.445 1.947 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)ccc1OC 806803913 BIXAWNBBGGRZCT-IRXDYDNUSA-N 438.550 1.942 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCc2cccnc2OC)C1=O 809943372 DFGNLSVKQYLYAU-HNNXBMFYSA-N 429.502 1.804 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(CCS(C)(=O)=O)no1 904883444 HGCXDMOHILSEIR-CYBMUJFWSA-N 426.520 1.627 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 916775482 COCCBSLCKYOGHB-UHFFFAOYSA-N 439.540 1.664 30 10 IDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1116562943 SGIFMLKLBWRXGF-KRWDZBQOSA-N 436.530 1.677 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C)C1 1116922950 GVMBWTPHHGLIRM-QGZVFWFLSA-N 433.534 1.284 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C4(C#N)CCSCC4)CC3)C2=O)n(C)n1 1128002613 YXSTYIUFOFFJHA-KRWDZBQOSA-N 430.578 1.405 30 10 IDEE Cc1c(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc(Br)c1C#N 1129954741 BTHYYSLFZLUWJU-UHFFFAOYSA-N 428.246 1.827 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(NCCN4CCOCC4)c(F)c3)CC2)nc1 1142085541 AWWVZSNOILLXNO-UHFFFAOYSA-N 438.507 1.799 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)c1 1142127309 WAJRKPUJDSYVNE-UHFFFAOYSA-N 437.543 1.962 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 1144748240 GWCYYSUJEWLXCC-QGZVFWFLSA-N 432.502 1.144 30 10 IDEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1147410730 OXSJNNFNSFNZOF-MRXNPFEDSA-N 445.520 1.458 30 10 IDEE CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1227016680 GRJFESJYDOQELA-NNMXDRDESA-N 430.574 1.867 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1C 1286284721 GNBJLLPIRASOAJ-CQSZACIVSA-N 426.550 1.786 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1286298966 ROAFBDUIFULJJR-QAPCUYQASA-N 432.546 1.978 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286321244 LMSZMYYDNWFAJK-UHFFFAOYSA-N 433.582 1.732 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1286446373 DVLWABKQIXWUDK-QGZVFWFLSA-N 437.541 1.445 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286477227 SJEIBYIJLKFFLR-JOCHJYFZSA-N 437.592 1.761 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286488551 OMVLWMITRBVYGY-NSHGMRRFSA-N 447.580 1.519 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N(C)C)CC1 1286491367 OQSOFBKXIUFVDQ-UHFFFAOYSA-N 444.486 1.201 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286643898 ZYUMVXYFCZMANR-UHFFFAOYSA-N 427.530 1.913 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286784582 MNSVXIBLBVZATB-NRFANRHFSA-N 445.545 1.271 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC)C1 1286809725 VBXCNRJMSDHAEQ-OAHLLOKOSA-N 437.504 1.109 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(CCC)C(=O)C1 1286825056 LGLYUJRPRGULIZ-MRXNPFEDSA-N 425.555 1.179 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1287136701 GBSBJJZWUJMIST-QGZVFWFLSA-N 430.534 1.212 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1288550473 BXHJSCMACNVFRK-KJEZJMDVSA-N 430.534 1.340 30 10 IDEE CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1290492576 VXFOFJINSYMQHM-UHFFFAOYSA-N 425.463 1.424 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN1CCCO 1297189703 ZTQHNTIVSXOVDE-SFHVURJKSA-N 441.536 1.196 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1298929093 XTHLJDAGJFVBMZ-UHFFFAOYSA-N 425.537 1.940 30 10 IDEE COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCC[C@@H](OC)C1 1300215073 MTWNUYZFJJYNGA-OGHNNQOOSA-N 426.466 1.600 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1300499602 VMSZCPPPDVDKGX-ROUUACIJSA-N 448.520 1.050 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1300513629 YAYOOJSHGFUDSY-OFNKIYASSA-N 429.565 1.360 30 10 IDEE COCC1=CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301195569 WCSZAIAHGMTYBE-MXLIYFDZSA-N 428.493 1.091 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301222937 JNPCTAGDHHZYJK-HOTGVXAUSA-N 425.555 1.861 30 10 IDEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301260084 VXUHPIOLOZHRLI-NJNPRVFISA-N 433.553 1.626 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1301491361 QHFJEAOPJHTUDG-UHFFFAOYSA-N 448.531 1.004 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 1301500920 RCEOFBUNQBJXFC-AWEZNQCLSA-N 449.533 1.268 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 1302291215 FDMNCQHURPDALO-UHFFFAOYSA-N 435.366 1.988 30 10 IDEE C[C@]1([C@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)COC(=O)N1 1303764357 DNVUMOWTIHKOFK-VBKZILBWSA-N 434.518 1.242 30 10 IDEE Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1304295746 KZFKERXIVMQKCL-CZIZESTLSA-N 441.492 1.334 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1313547462 HUWGEBKIDOMGQY-QGZVFWFLSA-N 430.534 1.308 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCSC1 1314388247 IAERCQLMKDHPLZ-HXUWFJFHSA-N 429.550 1.276 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1358930560 XQVQAMDQUQIADC-LJQANCHMSA-N 429.546 1.587 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358962295 NJKCQEMCGAHMJR-ZWKOTPCHSA-N 430.530 1.553 30 10 IDEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1358993934 ADBWNAYNLVGPPZ-UHFFFAOYSA-N 432.550 1.437 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)CCC)CC1 1359041792 IRYFPKVFWDAYDF-PKTZIBPZSA-N 447.580 1.447 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nncn2C)CC1 1359046898 KBQZNHSFWUKGIF-UHFFFAOYSA-N 448.531 1.308 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC(C)C 1359070968 YXNOTPVJMSUTPD-HSZRJFAPSA-N 436.564 1.969 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359126179 HTSZFHRUVPZRBN-NRFANRHFSA-N 425.493 1.377 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359228708 MAHWFMHYTVFNSV-OAHLLOKOSA-N 446.533 1.503 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCOCC1 1359233619 LHNZODWEPSWKHH-UHFFFAOYSA-N 435.550 1.359 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CCC)C1 1359327403 ZSVQKSMQBANPIY-MRXNPFEDSA-N 448.549 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359336296 LAKZOWOQSKSDCN-MIALQEHNSA-N 440.566 1.503 30 10 IDEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359337801 AUONKNCYNIHLED-INIZCTEOSA-N 429.506 1.986 30 10 IDEE C#C[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1452477261 OVJVPDWFDNDZJA-BBRMVZONSA-N 445.463 1.490 30 10 IDEE C=CCC1(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CCOCC1 1458869002 YKLVAUDXLKWZCB-IBGZPJMESA-N 429.565 1.741 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)NCc2ccc(C#N)cn2)(C(=O)OC(C)(C)C)C1 1460674288 YGIKBNJYWWWZBW-QFIPXVFZSA-N 446.504 1.917 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)[C@H](C#N)C1 1466735828 DWIOKTZZHXLZNG-KBAYOESNSA-N 448.545 1.715 30 10 IDEE CS(=O)(=O)c1ccc([C@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)CCO2)cc1 1473670533 NHKJFFLANFTUFC-HXUWFJFHSA-N 434.539 1.809 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1479148197 DXJAMSCQUWAPNE-JFIYKMOQSA-N 440.529 1.573 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1494544789 DPPYWTUVCHLCRG-QFBILLFUSA-N 443.577 1.381 30 10 IDEE C[C@H]1COCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1494589619 FLGVAMRCTAVNGG-JGWKNBOWSA-N 428.518 1.682 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1505145040 ZGHQXWJRFGRZOW-GOSISDBHSA-N 430.534 1.544 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1507534056 QNBPNSCBCIBYEY-HJPURHCSSA-N 436.516 1.845 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1507590330 CXCRFCCNHYZMIL-GOSISDBHSA-N 433.578 1.432 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507622935 MXZJPCYXZOYXBK-YJBOKZPZSA-N 444.561 1.957 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1507631476 PUQYFZYDDMKZOV-FQEVSTJZSA-N 438.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1507642953 OFDCOVDEROXGAF-KRWDZBQOSA-N 437.529 1.195 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1507689473 KRKSFVVVIIUWPC-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507807000 BUZLGNHUOJJURT-CNNODRBYSA-N 433.553 1.580 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1507968138 QJWOPSDCZFZSDR-QGZVFWFLSA-N 442.582 1.608 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507971643 PGZYMZWMHWINFW-IRXDYDNUSA-N 436.582 1.341 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1508111734 IEGGLPSLQFDGMF-LJQANCHMSA-N 442.545 1.634 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCCO 1508583522 FAKYIXYMTWLISI-UHFFFAOYSA-N 427.553 1.859 30 10 IDEE Cc1ccc(-c2nnc(N3C[C@H](C)O[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1510788652 BBGVLFHETOTKJF-UGKMNXKKSA-N 426.477 1.987 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1517326301 IWHNMGVUHQYHBO-FQEVSTJZSA-N 426.521 1.391 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCN/C(O)=C1\N=CC=CC1=O 1518455048 GXIKFHIAAYUSNB-VNRULFPQSA-N 449.515 2.000 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1519162953 IMYXLVYYNOJISO-FIKGOQFSSA-N 432.525 1.324 30 10 IDEE COCCN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)CC1=O 1519225556 PUQNEHXHWMHXLB-UHFFFAOYSA-N 434.500 1.871 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)c2C#N)C1 1533852745 CXTLPRVMVUTATE-INIZCTEOSA-N 437.481 1.604 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 1537923329 LEXWXFVQJHGAEF-UHFFFAOYSA-N 435.527 1.924 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1537936604 GXAACZNPOBGDTC-RHSMWYFYSA-N 436.534 1.864 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1538966316 XRSUEIDSEAHTIH-INIZCTEOSA-N 432.550 1.544 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1539016700 VGAATPBCNVGBCA-DZGCQCFKSA-N 438.579 1.077 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539102091 SQEZEQPYAJADEW-NRFANRHFSA-N 427.530 1.621 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539204011 XOISMKMJFLKBRZ-KRWDZBQOSA-N 447.536 1.425 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCN(C(=O)OC)CC2)CC1 1539447121 OJCRITGMEFEFOB-LJQANCHMSA-N 430.553 1.753 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCCN(C)C)c2)CC1 1539463034 RJEWEEAGDOOFLJ-JOCHJYFZSA-N 438.576 1.874 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)[C@H](C)CC)CC1 1539477180 JRKRYVBMHPPXAM-ZHRRBRCNSA-N 425.537 1.498 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539499437 KPCMUNZPFMEUPS-NVXWUHKLSA-N 426.502 1.935 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1539557570 XGCXLVGMBBYVTF-DNVCBOLYSA-N 425.555 1.028 30 10 IDEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1539925719 CJPHEHHJGRZHNM-UHFFFAOYSA-N 442.568 1.300 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1540861826 ICARBPDOYINELD-AWEZNQCLSA-N 444.458 1.364 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccccc2OC)C1 1540862329 ZDOPCPBLTKTMSU-MRXNPFEDSA-N 426.521 1.721 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1541386440 OIYAXNNREKHFHY-WIYYLYMNSA-N 429.546 1.849 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N2CCCC2=O)c1 1541678628 FPENMMLMOQQNAG-GOSISDBHSA-N 437.504 1.320 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)nc1C 1542967612 FQEBORMJENPYBO-OAHLLOKOSA-N 428.565 1.595 30 10 IDEE C[C@@H]1C[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1543713929 ZMZPPOJGNWPQAX-VQHPVUNQSA-N 432.525 1.971 30 10 IDEE COC[C@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1555331671 GGTFUXFMVLAMGP-CABCVRRESA-N 436.538 1.654 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1555685375 RBYMIEUEIYADCT-IIBYNOLFSA-N 428.468 1.745 30 10 IDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C 1556315159 KJPHYMDSBVKRBX-UHFFFAOYSA-N 431.461 1.230 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 1558073782 ZKNQEGOCARHXRC-UHFFFAOYSA-N 425.308 1.156 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1558124033 XWZSGWBCYDBIFG-SZNDQCEHSA-N 447.488 1.655 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C2)c(=O)nc1O 1558805425 MGQUEXXWFVFAGX-SNVBAGLBSA-N 448.266 1.564 30 10 IDEE C[C@@]1(c2ccc(I)cc2)NC(=O)N(Cc2ncc(C#N)cn2)C1=O 1559371653 VAWUQNAXWXQQMA-INIZCTEOSA-N 433.209 1.920 30 10 IDEE CC(C)OCCCNC(=O)C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1559484341 PXHFQTSEOVTWEF-UHFFFAOYSA-N 425.529 1.929 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)s1 1583424085 PUNPIXLFNDNCDD-GLJUWKHASA-N 444.575 1.618 30 10 IDEE COc1ccccc1[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1587334303 UOOUSCRDLNFEQI-SFHVURJKSA-N 429.498 1.724 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(Cl)cn1 1587975409 ZPFSWUFBTXYMOY-UHFFFAOYSA-N 432.941 1.858 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)cc1 1588128418 KPWAUJGURGWTRJ-UHFFFAOYSA-N 444.495 1.817 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1589150870 NBBOXGLARDNNPY-CKJXQJPGSA-N 431.562 1.982 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1589495408 QTOKSNCRVPDWQJ-HOJAQTOUSA-N 434.585 1.231 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589514283 FSFGCDDZIHEUCW-XYJFISCASA-N 434.566 1.725 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1595477779 ZNUKPPRTQOXSRT-GOSISDBHSA-N 425.537 1.584 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)CC1 1595530211 WUDZULRCLZJYKA-UHFFFAOYSA-N 437.548 1.507 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCc1cnccn1 1595551775 UWXAYXYVZYTKGI-LJQANCHMSA-N 435.488 1.562 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595798703 SHEZHVFIONNQGP-KKUMJFAQSA-N 426.495 1.235 30 10 IDEE CN(C)CCOCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617702632 LBBPDELXQCYEMB-UHFFFAOYSA-N 448.531 1.377 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCC3(C#N)CCCC3)CS(=O)(=O)[C@H]2C1 1628342100 SRRUJFASCGJFFQ-XHSDSOJGSA-N 425.551 1.857 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)C2 1637513786 PAVUOYIEFDBQPW-HOTGVXAUSA-N 443.504 1.772 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(Cl)ccn3)CC2)cc1 1638799799 QMZSAWYJDNNZDF-UHFFFAOYSA-N 433.921 1.889 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)c1ncon1 1639399249 XXQBGWXLYXCTIE-KSSFIOAISA-N 425.470 1.708 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)ccc1F 1641466421 OFLVQDNBYISQAG-INIZCTEOSA-N 432.433 1.423 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 1645274077 MLYSOUFSQBBEFP-LJQANCHMSA-N 427.549 1.966 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1645772281 XKJZUWBJJPRSNT-KRWDZBQOSA-N 442.965 1.803 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1646082962 XUMNBNWRDMEJAZ-HNNXBMFYSA-N 428.514 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1651161656 MIQKEQXKFFEINV-UHFFFAOYSA-N 434.518 1.352 30 10 IDEE C=CCCC[C@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1683733501 CGWRTJIJSCZXCO-SFHVURJKSA-N 426.521 1.756 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1685349753 MOJHFCXHGFSYBJ-UHFFFAOYSA-N 428.536 1.168 30 10 IDEE C=C(C)COCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1685536576 FJARBJJJIFEQEZ-UHFFFAOYSA-N 431.278 1.506 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689973773 PJJZBJXVZOBXCZ-SFHVURJKSA-N 431.562 1.825 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1690013541 SXCXFRGZZCOIFN-GOSISDBHSA-N 429.528 1.607 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCC1 1690013565 UOJUEKCPPCNPIM-UHFFFAOYSA-N 426.546 1.616 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOCC2CCOCC2)CC1 1690124013 CHIIROSSAQOYSI-OAQYLSRUSA-N 431.581 1.761 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1690227996 LBVYABBWYTXSTB-CQSZACIVSA-N 427.347 1.932 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCC1CC1 1690345696 AZFXDOGDDGDDBB-HNNXBMFYSA-N 433.962 1.226 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690660830 PAODZZDFAUKBQZ-MSOLQXFVSA-N 431.562 1.746 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690673403 VGKMSALFUQPFMJ-DEOSSOPVSA-N 438.576 1.781 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690675359 YFJGWGFKIXEABW-QFIPXVFZSA-N 426.521 1.164 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCNC(=O)C1 1690718010 YCGYRPBMJODPME-CQSZACIVSA-N 449.602 1.668 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1690719064 GWBTZGQSYVIMMF-CQSZACIVSA-N 437.953 1.866 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1692564734 HSBDMBKGMJPJAR-GOSISDBHSA-N 438.536 1.638 30 10 IDEE CC(C)SCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692630467 SGOIIISNVKMVNY-MRXNPFEDSA-N 427.534 1.906 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1693787617 IGGQDOHZMPFPPF-LZICOFPGSA-N 425.493 1.425 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1696619257 WLZJEQGRXVSOGK-WOJBJXKFSA-N 437.548 1.642 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN(C(C)C)C1 1698256174 ZQQAFSQHOLYVEZ-HAGHYFMRSA-N 432.569 1.851 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705507498 CYNGDMGXOQEVRO-QGZVFWFLSA-N 436.582 1.083 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705657722 OMNWHYRVWFIUCA-UHFFFAOYSA-N 442.589 1.725 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCc2cccs2)CC1 1705902356 CSQCNUUVXHDXCM-GOSISDBHSA-N 444.605 1.901 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1712524478 DGPAKWDFWDHXRC-JTSKRJEESA-N 444.536 1.816 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCOCCCO)c1 1712878913 MRBIUVKDYKJLRX-UXHICEINSA-N 427.505 1.600 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1722358905 NLHSAUKGVWPQSI-HNNXBMFYSA-N 441.504 1.186 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1722412199 WVGCWZIZMVVPJQ-HTAPYJJXSA-N 425.537 1.452 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2CC)CC1 1722448071 QWCKBXJRHYNHNP-HXUWFJFHSA-N 434.544 1.806 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1722459785 RAVSYWKNUVQREE-IRXDYDNUSA-N 442.607 1.177 30 10 IDEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722532497 NYAHDFSBCOYPMG-UHFFFAOYSA-N 430.553 1.456 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1722616696 BLDSHSUDXQYFTK-ROUUACIJSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](C)C1 1722696004 XKOSTRLXYJSFLA-CQSZACIVSA-N 425.522 1.165 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1C1OCCO1 1723589727 ABMMFRLRCJVCEH-NRFANRHFSA-N 428.468 1.952 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1731096885 QGUGQGSQNHQLPA-SYWZAZHRSA-N 432.550 1.640 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1740590610 IIUMHMREUZAXQE-OPAMFIHVSA-N 446.552 1.702 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCS(=O)(=O)C1 1740688939 XAFUJTBTNPWHHL-LJQANCHMSA-N 446.573 1.995 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740698340 DMAFBDFBHOSTJA-FQEVSTJZSA-N 436.560 1.570 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740884796 NGFAWKCHPWFEQE-GOSISDBHSA-N 427.509 1.155 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740888016 ONXRJCNQAHZZRG-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1740950680 CTAATSBHAGRLRI-SFHVURJKSA-N 439.564 1.429 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1743402128 LIDOCCWBMYSLEG-UDJKBAMHSA-N 429.525 1.423 30 10 IDEE CCN(CC(C)C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1746025531 NROBTJVWHPYPIU-FMQUCBEESA-N 429.525 1.409 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746286039 BIPHOHVWCHTEFJ-VFAFWLKOSA-N 430.509 1.314 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1748579372 XMOKNYAETCBTRS-DYESRHJHSA-N 426.477 1.169 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCc1ccco1 1748650605 AWNQMXMACLVLCV-HNNXBMFYSA-N 441.513 1.716 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748821684 SPERZRBMGSWVAQ-RBUKOAKNSA-N 446.577 1.191 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1748891846 HHZKHDIKZLNFHW-SFHVURJKSA-N 434.562 1.086 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1748977328 GBAUTYBFZMAMNT-SBUREZEXSA-N 440.523 1.791 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1OC 1749054504 UHXAUXVURWNQSX-JLTOFOAXSA-N 448.549 1.341 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1749078901 SKHYZGCBQLCVFX-HXUWFJFHSA-N 428.518 1.270 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1749210019 AQHBHJDJIVXWII-UHFFFAOYSA-N 433.582 1.788 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749234733 ITPXKDDLGFXEPT-UHFFFAOYSA-N 445.568 1.331 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCS2)CC1 1749302979 CHYLJKNMUYSIBA-HZPDHXFCSA-N 427.596 1.663 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1749310092 VQYWCRQIONQHPV-UHFFFAOYSA-N 444.561 1.447 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1749390175 BNZLHUIAEYETMF-MRXNPFEDSA-N 434.570 1.361 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749402090 JAULRHUXAAGCMJ-HOTGVXAUSA-N 430.596 1.550 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1760138506 ZOQVIUGGEYGXHZ-YLJYHZDGSA-N 437.566 1.031 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)C(C)C)CC1 1760268054 KPBGZOVCLOJMFI-UHFFFAOYSA-N 440.523 1.822 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1760358442 RTYGWRFEYNKMDU-UHFFFAOYSA-N 449.577 1.552 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760559282 KYCIDLWPZDPQTP-IAGOWNOFSA-N 439.582 1.616 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3CCOC(C)C)CC2)c1C#N 1762402502 CUGPWMXLGLUIJE-UHFFFAOYSA-N 449.563 1.929 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1764358225 IPNKDCXGGVVLSV-FQEVSTJZSA-N 432.550 1.761 30 10 IDEE CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1764706493 AVIXPGRXWFGHMN-CZIZESTLSA-N 426.477 1.945 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1OCCC1(C)C 1767010769 LRPFNKJNXUEHGT-IBGZPJMESA-N 438.532 1.927 30 10 IDEE CNC(=O)c1ccc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1769177123 JQAGVONQVOCAAM-ZBJSNUHESA-N 449.515 1.678 30 10 IDEE COCCOCc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1770127071 ABSJJHGBWZDWDU-VQTJNVASSA-N 427.505 1.722 30 10 IDEE CSC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1770394519 YURLJCFAXWCUJT-MRXNPFEDSA-N 440.577 1.964 30 10 IDEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1771465453 HOJHNOOISGDAAD-QGZVFWFLSA-N 439.545 1.107 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C1 1771530319 HOMWBESRHSRYAX-NRFANRHFSA-N 446.458 1.687 30 10 IDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)NCCN1CCN(S(=O)(=O)C2CC2)CC1 1851547366 OLYVUEOAJLPMJQ-UHFFFAOYSA-N 441.985 1.401 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cn2cnc3ccccc3c2=O)cc1 1852113214 XTLBEDTZENALIN-HXUWFJFHSA-N 448.479 1.591 30 10 IDEE Cn1ncc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1Br 1852283888 HLDOLAJAJGVNRC-INIZCTEOSA-N 449.305 1.991 30 10 IDEE C[C@H]1C(=O)N(C(=O)COc2ccccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854645975 LXEMUIOCLDYHLY-AWEZNQCLSA-N 431.445 1.524 30 10 IDEE N#CC1CCN([C@H]2CCCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1855609971 PFRDNWLQYJXXPQ-MJGOQNOKSA-N 436.578 1.334 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 1855697935 HRXQHXPWHHHSSY-ZWKOTPCHSA-N 432.546 1.308 30 10 IDEE C=CCN(C[C@@H](O)c1cccc(OC)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1857999612 QPNRFIYOHWQWNG-HXUWFJFHSA-N 444.509 1.843 30 10 IDEE 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CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303104447 KFNOLUAFTPPQCM-ZIAGYGMSSA-N 425.335 1.840 30 10 IDEE COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cn(C)nc2C)n1 20424231 PQZUTTMFCHYDSR-UFWORHAWSA-N 428.478 1.810 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 109934476 OYYFBUNUNBKXJC-GAIWEEKLSA-N 436.493 1.205 30 10 IDEE Cn1cc(C#N)c(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)n1 464100704 VQXMNAATXQHRJN-VMJIZDNZSA-N 427.464 1.710 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2cc(F)cc3c2OCOC3)CC1 494569548 IOCNPHHNDLQRBF-UHFFFAOYSA-N 445.472 1.639 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(-c2ccccc2C#N)c1=O 505635435 JZQKQBQORXYCTD-UHFFFAOYSA-N 431.521 1.931 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 507509909 UXHFSBKFTIQWLB-QGZVFWFLSA-N 448.589 1.356 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 542941608 CCQCSPNAGZPNFH-DTDBQYNISA-N 425.832 1.498 30 10 IDEE CCOC(=O)[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1c(C)nn(Cc2ccccc2)c1C 545282854 OZYILJIQDFGLMJ-OXQOHEQNSA-N 435.488 1.993 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1CC(C)C 547315623 UDMHOZOJMFLIQI-UHFFFAOYSA-N 441.553 1.770 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(C)C)CC1 554609690 QWOSWHJEROYHKY-SFHVURJKSA-N 440.614 1.354 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 573528069 RDTJMXUHKMDPKO-KRWDZBQOSA-N 437.522 1.582 30 10 IDEE N#Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 609430666 JLHHTQPVJAVXEX-UHFFFAOYSA-N 432.483 1.097 30 10 IDEE CN(c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1)S(C)(=O)=O 612805875 UQTXNMWTQASIGV-UHFFFAOYSA-N 428.518 1.381 30 10 IDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669813048 LXOVQYKOUMPECW-HBFSDRIKSA-N 434.585 1.567 30 10 IDEE C=C(Br)CNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729601602 AOROUDBOGHSGOO-UHFFFAOYSA-N 433.108 1.119 30 10 IDEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(c2ccccc2)C1=O 732119064 SAKRTAUNPNGARK-KRWDZBQOSA-N 426.498 1.379 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C\c2cc3c(cc2OCC)C[C@H](C)O3)CC1 733150577 NXSKZHYUSNLSHO-ZEVQVBBLSA-N 425.529 1.706 30 10 IDEE C=CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn(CCC)c2)c1=O 735069247 QGWNSCPBBYKFSA-UHFFFAOYSA-N 448.504 1.817 30 10 IDEE COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 740455034 KQGCZVCVJGTKFP-HNNXBMFYSA-N 435.550 1.976 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 746164709 HFLDPBWXJSQXCU-QZQOTICOSA-N 430.892 1.470 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 748414835 WKPODBUDHVGTOZ-UHFFFAOYSA-N 445.472 1.696 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 750640407 HPTOAKDXWDBUKN-NHYXNVPJSA-N 433.509 1.696 30 10 IDEE O=C(NCC#CC(=O)N1CCC[C@](O)(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757485638 MPVNHGUDWBVYGN-RUZDIDTESA-N 448.475 1.967 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ncn(C)n2)C1=O 768420029 CAVDLJDRSVDGNN-HNNXBMFYSA-N 449.968 1.668 30 10 IDEE C#CCCN1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)CC1 771516105 ONAAIBOAFOYQNL-QHCPKHFHSA-N 426.517 1.375 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cncc3ccccc23)c1=O 772898617 OCKZQPPAEKXPMU-UHFFFAOYSA-N 448.548 1.666 30 10 IDEE C=CCc1cc(C(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)cc(OC)c1OC 784199022 NJPDTJAIXFQUAW-UHFFFAOYSA-N 425.503 1.673 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)n1 788888522 PGPBRVUIEZNQMB-INIZCTEOSA-N 433.534 1.807 30 10 IDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCOCC2)cc1 789968307 VLAAVBMCJFAXAE-MRXNPFEDSA-N 441.561 2.000 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 794581803 VBESKGSXBSOWET-MRXNPFEDSA-N 441.553 1.839 30 10 IDEE Cn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800746089 LXDSJPSHNUJKNR-SFHVURJKSA-N 441.561 1.443 30 10 IDEE C#CCN(c1nnc([C@H]2COCCO2)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812057249 SYPFJCFAKNEHSW-RTBURBONSA-N 430.530 1.235 30 10 IDEE C=C(Br)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 921042414 BTKQGWNWPWMEME-AWEZNQCLSA-N 433.324 1.741 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)c1 1084441590 LMIIHOYNLOZAEO-UHFFFAOYSA-N 425.478 1.522 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1129531331 DMKSEEOLCTXAGO-AEFFLSMTSA-N 428.489 1.663 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1F 1133123558 QVERCLUHNAUVSV-UHFFFAOYSA-N 446.548 1.972 30 10 IDEE C[C@@]1(C2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)NC(=O)NC1=O 1136994793 ISVNWSJBTKIJGK-SFHVURJKSA-N 435.278 1.536 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1137537397 NGPMCHQBCYVVHM-QVKFZJNVSA-N 430.509 1.147 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CCC2)[C@H](F)C1 1139855026 DZDSJOLWUOCJMG-SQNIBIBYSA-N 436.553 1.929 30 10 IDEE COC(=O)C[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1160198336 WIBCBOKYODHMAF-XOBRGWDASA-N 430.486 1.215 30 10 IDEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1252548943 LIIMQZDXWWSGIS-NSHDSACASA-N 444.897 1.193 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286395978 UUHZYPAAZRIHPE-ICSRJNTNSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC=C 1286421752 QUQWBBUIEHECOB-UHFFFAOYSA-N 425.514 1.114 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1286467196 NNEUKBSBGMQDEO-DYESRHJHSA-N 432.546 1.174 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286512016 HMISQZQEIYPTBN-NQIIRXRSSA-N 435.594 1.790 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1286683187 LHXXDPICFPLBAC-UHFFFAOYSA-N 427.509 1.577 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C 1286778712 DLUZTYBVVDCKQT-LSDHHAIUSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286784068 VRZLWFHBQYPUOW-YLJYHZDGSA-N 440.548 1.413 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 1286793483 GGHRODBYZLULDZ-QFIPXVFZSA-N 433.553 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286814960 JBCAARAHYKMEPP-AEFFLSMTSA-N 445.545 1.269 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1287121311 ZKXSZEOARLUBRU-UHFFFAOYSA-N 448.535 1.635 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1296661674 NBBWSHVBMAVKBW-INIZCTEOSA-N 443.504 1.651 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[S@](=O)CC)c1 1300331643 NUGVGQBNXURTNT-WJOKGBTCSA-N 444.561 1.241 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1300357254 KTOXODZFEHNMRR-DEOSSOPVSA-N 447.543 1.958 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300498500 KPDGNZMSDDZUMY-SXLOBPIMSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300498556 LTHRCJYYDGTRAQ-AEFFLSMTSA-N 434.537 1.917 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C1CC1 1300657911 UODRRSUFPIRURQ-NRFANRHFSA-N 432.546 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CO)c2)CC1 1300719561 GYIKNDBGEYVWKW-UHFFFAOYSA-N 433.516 1.185 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCOCC(F)F)CC1 1300719621 IZSZNLKISYWCBM-UHFFFAOYSA-N 434.491 1.921 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1300972844 RGCOCOJCPFXTSU-UHFFFAOYSA-N 441.536 1.871 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300990103 TUUYZVQWUQHASH-MOPGFXCFSA-N 433.553 1.592 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1301485413 WCRLZYYERUBXQH-HNNXBMFYSA-N 445.549 1.236 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301491482 KFTCYVQHXVBUQQ-QFIPXVFZSA-N 437.504 1.062 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(N)=O)CCOCC2)C1 1301565950 HPWSMSQLHPBYEV-SFHVURJKSA-N 443.552 1.203 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(C#N)c(O)c4)C3)[C@@H]2C1 1302897055 CNEMHRGDXYXMSE-JZXOWHBKSA-N 442.472 1.918 30 10 IDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1303026085 IUZLQWFOLWEDLR-UHFFFAOYSA-N 428.510 1.861 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1303639924 HHOSKFDWMQIFMQ-CVEARBPZSA-N 436.582 1.758 30 10 IDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C(=O)N1c1cnn(C)c1 1309249463 IAXRBSUHMAYIGT-QMTHXVAHSA-N 438.307 1.527 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1312441448 CVGGTSJLHSLWHC-BKGUAONASA-N 440.884 1.164 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)cc1 1315536428 FXZXYAUKHHZXBS-IBGZPJMESA-N 440.504 1.653 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1358877380 CRMWOOLAEYIDBT-KRWDZBQOSA-N 445.589 1.917 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358954882 ABLWKXLCHNHYMG-BLRBJFNZSA-N 441.557 1.756 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1359028235 LVOZCCHJMHBXOW-IBGZPJMESA-N 429.613 1.682 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1359035604 YMZCWOINKDUXPB-VXKWHMMOSA-N 449.603 1.850 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1359043202 LIEXMCQUWACWLT-UHFFFAOYSA-N 445.527 1.309 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@@H](C)C2)CC1 1359046765 FHHOKHTWCKYVJB-QZTJIDSGSA-N 426.565 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)[C@@H](C)CC)CC1 1359046878 JHRUNWCZVFDBNA-SFHVURJKSA-N 443.596 1.097 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359047999 AZNAKLGESDUGOJ-HNNXBMFYSA-N 448.574 1.305 30 10 IDEE CN1C[C@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)N(C(=O)OC(C)(C)C)CC1=O 1436539201 CTQOVQCHEJYHTC-JKSUJKDBSA-N 429.477 1.011 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)N2CCCC2)s1 1440749042 QZDIUUHYLSEGTL-CQSZACIVSA-N 429.589 1.279 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3c(C)cc(F)cc3C#N)C2)cc1 1463452231 CWNPQDCNOZIVKG-UHFFFAOYSA-N 439.490 1.366 30 10 IDEE C=CCN1CCC(NC(=O)N2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1468646924 HHZFVTLFCCMYLE-KRWDZBQOSA-N 436.553 1.688 30 10 IDEE C#C[C@@H]1CCCN(C(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)C1 1469520702 VMIOWBWOJXJLNT-QGZVFWFLSA-N 445.564 1.972 30 10 IDEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(O)(C(N)=O)C2)c1 1470770872 ZQEVTWGOHDMQHO-UHFFFAOYSA-N 449.916 1.394 30 10 IDEE COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1471192582 RXVYAAOCQCUVFZ-MRXNPFEDSA-N 443.504 1.586 30 10 IDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1475908512 DLSIUSSXFIPMDP-HXUWFJFHSA-N 438.532 1.817 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1501104002 CTHJOLSLCTYLFC-AXNLMSORSA-N 441.536 1.425 30 10 IDEE CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1503364637 AYFZKSXMQIIYTD-UHFFFAOYSA-N 432.488 1.912 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1505043524 KBCCIELSSCRJMV-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1507715858 JJNSUCBKYIIGOB-PMACEKPBSA-N 427.597 1.390 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2COCCO2)CC1 1507720239 CFJZLCHIMXNILR-FXAWDEMLSA-N 429.496 1.728 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCN(CC)C2)CC1 1507738695 VXGDAYKCINHKHP-LJQANCHMSA-N 435.576 1.956 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)SC)CC1 1507741226 NEKRKZNQJSMSCJ-NJAFHUGGSA-N 435.594 1.719 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1507771464 AKIHFHQISIEROQ-LAUBAEHRSA-N 427.530 1.320 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507791531 MWSUYNABIXYVCV-QRVBRYPASA-N 432.569 1.702 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507844901 RWZBMMVRYTVLFK-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507846774 XCUNAOOYTXSYFN-UHFFFAOYSA-N 434.566 1.328 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507974135 SWYBBDKCPAVOHP-UHFFFAOYSA-N 439.907 1.879 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1508022090 RRHQMDKMDZNGCN-UHFFFAOYSA-N 429.594 1.976 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1508036020 JHIADAJDRAJXIX-MRXNPFEDSA-N 448.549 1.389 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](COC(C)C)C1 1508084294 LMEKEKZVIMRJGC-KRWDZBQOSA-N 434.566 1.566 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(C)C)N2CCOCC2)C1 1508115592 BRGGTJDNEUQZFP-WOJBJXKFSA-N 429.569 1.817 30 10 IDEE CC[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1514112179 RHFHJLXRHQRILT-DNTCVELPSA-N 427.509 1.163 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C#N 1518633746 AGUNFGKFRPEYSH-OWCLPIDISA-N 432.550 1.917 30 10 IDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1519028588 CTJZAANDKWXBLR-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1OCC[C@H]1C 1519279290 CJOCENSIXFVUON-ZRGWGRIASA-N 442.520 1.962 30 10 IDEE CSCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1520505128 MLNKDTLUBWZIDU-OAQYLSRUSA-N 430.578 1.985 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3cncc4nc(C(F)(F)F)n(C)c34)CC2)c1C#N 1522360922 HZHKSRPYBDBRJD-UHFFFAOYSA-N 432.410 1.863 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539212264 OHIPZTMLUSBWFR-ROUUACIJSA-N 431.562 1.813 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1539307583 WOQLNWUVYSECML-UHFFFAOYSA-N 447.499 1.578 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCOC)CC1 1539473967 GCXMBQWOLNTNHW-UHFFFAOYSA-N 446.939 1.622 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1539516757 BVUCGASQFLXGIY-GPANFISMSA-N 445.586 1.162 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1540535306 IYJMJUQUFUOVQC-LJQANCHMSA-N 434.581 1.840 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1541103718 FPXMHZOOTADMHZ-MRXNPFEDSA-N 444.561 1.756 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccccn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541363827 NBILCCCXRBWJCD-VZCXRCSSSA-N 436.520 1.650 30 10 IDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)cnn1C 1542103070 AARASXYYJCLZJE-UHFFFAOYSA-N 447.547 1.117 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](Cc1ccccc1)OC 1555753847 WRHQBXLLDXKJKJ-BQJUDKOJSA-N 441.532 1.989 30 10 IDEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1557110806 RPUJSLSAJHOOPJ-DBDZUICISA-N 436.511 1.885 30 10 IDEE CN1C[C@@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1557243594 VOIPUCVHUOZRIO-MOPGFXCFSA-N 441.532 1.673 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1559900024 VQZOICIMTZWVJO-GOSISDBHSA-N 439.516 1.198 30 10 IDEE COc1cc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)ccc1S(C)(=O)=O 1560234464 FRFVIFMJYRMIDW-SJLPKXTDSA-N 436.578 1.442 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1564964274 ZRFYHYQTLHSMEB-GOSISDBHSA-N 429.498 1.951 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]cc2I)cc1 1585208881 IUUUULFNNVESIH-UHFFFAOYSA-N 432.243 1.731 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588044847 CCMVNWGJWNFKCQ-FVJLSDCUSA-N 433.578 1.707 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1588059600 QTDCYCDMZLYCRR-HUUCEWRRSA-N 433.500 1.351 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1588140417 WZTSCAICSJNHJC-QGZVFWFLSA-N 441.513 1.480 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 1588199773 ZMUJGZZNGZYQEW-MRXNPFEDSA-N 445.328 1.098 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)C(C)C)CC1 1588884571 FPUFCKNWASFJGJ-HSZRJFAPSA-N 446.596 1.569 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CCC)C1 1589294837 BDVVQZQNJSQXFH-QWHCGFSZSA-N 436.376 1.802 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1594455526 QYVVGFXBJYZVRA-HOTGVXAUSA-N 436.586 1.924 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1594813483 UFVVSYWRJRNKHF-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1595133947 PHCQNVSLMSOORJ-INIZCTEOSA-N 435.525 1.648 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)C1 1595682090 WKNNNLPLGBYTJH-UIFIKXQLSA-N 438.594 1.968 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595878567 QGLWLHFQCOLJGZ-QGZVFWFLSA-N 448.593 1.366 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1596696186 SSSRPTXJJWPALN-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1=O 1618475925 GKGVAXNEUNFLJX-NRFANRHFSA-N 425.562 1.532 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccc(C)cc1 1620024146 DRJHJZBEXUYRCQ-PKOBYXMFSA-N 442.520 1.469 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC=CCC3)n2CCS(=O)(=O)N2CCSCC2)cc1 1620348903 BKYMOPNLOFUXGG-UHFFFAOYSA-N 444.586 1.962 30 10 IDEE CNS(=O)(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1628681888 CRFXSANHDMWOLQ-CHWWFWEZSA-N 440.566 1.313 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1637081149 KMCOCLAPRJVLMI-RHSMWYFYSA-N 429.420 1.256 30 10 IDEE O=C(N(CCOC(F)(F)C(F)(F)F)CCOC(F)(F)C(F)(F)F)C1(O)COC1 1637925798 IZVRMBWPRYXEHP-UHFFFAOYSA-N 441.218 1.920 30 10 IDEE C#CC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)C(=O)OC 1638826045 GYVQYFOCFCWHEQ-IAGOWNOFSA-N 434.290 1.659 30 10 IDEE C=CC1(CC(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CN(C(=O)OC(C)(C)C)C1 1640828098 OVTKZVAARJDUEC-QFIPXVFZSA-N 437.537 1.276 30 10 IDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 1641185580 BHRIMNUGONKMTK-LJQANCHMSA-N 426.498 1.419 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)s1 1641253651 MOKPBZHUODJQDU-GOSISDBHSA-N 449.598 1.290 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C[C@H](O)c3cccc(C#N)c3)C2=O)cc1 1644583623 QIPXJOXHHWGZSH-CVDCTZTESA-N 436.468 1.526 30 10 IDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1650697977 AMLKPTNYHLCZPM-CJNGLKHVSA-N 435.864 1.375 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C1CCOCC1 1660586552 XUZRYDSRCJGOKX-KRWDZBQOSA-N 427.461 1.117 30 10 IDEE C[C@H]1C[C@H](CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CN1Cc1ccccc1 1680697972 VOGBLQCNNARTOX-WMZOPIPTSA-N 436.516 1.688 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 1681130271 PCDRZQGQQMAJAS-RBUKOAKNSA-N 439.516 1.074 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)C1 1686054949 DZRIJQXWPSAWTN-GBESFXJTSA-N 444.536 1.341 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1687244963 JTWUDLPGEVFICW-SFHVURJKSA-N 449.964 1.994 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1689849548 NEWUATWHMGNTED-YZZKKUAISA-N 446.596 1.917 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCS(=O)(=O)N(C)C)c1 1689868978 XMNSJYIQUPNLMJ-UHFFFAOYSA-N 432.550 1.349 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@H](C)CC 1689966577 WDUXKRWWSMAJGQ-IAGOWNOFSA-N 448.568 1.961 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1689986320 NGYMQXYVFYSCFH-IXDOHACOSA-N 448.520 1.251 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1690029639 GJRXIBXPVIQZAG-UHFFFAOYSA-N 435.532 1.159 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1690031635 RJYUDXSFQIVQON-FQEVSTJZSA-N 449.559 1.745 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690042130 VTIBKHMQQVTDIC-ICSRJNTNSA-N 440.573 1.940 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C1CC1 1690101334 XJLZDTMMZCBPRL-UHFFFAOYSA-N 435.488 1.206 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN2CCCO)CC1 1690117518 KGVRNLVLTAIINX-IBGZPJMESA-N 443.983 1.596 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)c1ccccc1 1690322152 WVGRVYNAVXDPBO-MRXNPFEDSA-N 444.561 1.413 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690484723 BWBVDKBEESMLLJ-KURKYZTESA-N 439.582 1.583 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1690596939 DZERGCVTJBRPNT-ZACQAIPSSA-N 425.555 1.214 30 10 IDEE COC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1697091031 ASQSKGMQUJUAMK-IBGZPJMESA-N 437.548 1.848 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705562551 FHXBFNYFCUKAEN-DOTOQJQBSA-N 445.545 1.388 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(=O)NCC)CCC1 1705603110 ITSWRGCHQKYKPN-OALUTQOASA-N 427.549 1.771 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1705693121 BTDYUVRPVUUILZ-AABGKKOBSA-N 446.596 1.556 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1705786594 SWMJARYEGZSJNM-HNNXBMFYSA-N 440.614 1.843 30 10 IDEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1705824422 PPEIXBBYPVUARW-IERDGZPVSA-N 432.525 1.369 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCOC[C@@H]1C 1706315786 HMGZQNSNDQVXCX-ROUUACIJSA-N 439.568 1.499 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1706832047 GCDGYUKLEBGCCS-CQSZACIVSA-N 430.534 1.212 30 10 IDEE CC[C@@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1708335060 POHWJWMMPVWXKC-DXEZIKHYSA-N 434.541 1.939 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1712052944 BDABEJIVCUWWEC-SFHVURJKSA-N 430.534 1.467 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCn2cc(C)nc21 1712566115 KJFBXILGRTVZFY-FGTMMUONSA-N 429.525 1.813 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCOCCCO)CC2)c1 1712882057 UNEYHPDEPQUIMO-LJQANCHMSA-N 441.536 1.164 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)CC1 1712886513 VLJOENPRBITWSZ-QGZVFWFLSA-N 425.493 1.861 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1722275160 CERJTDGPCHQYCH-HZPDHXFCSA-N 429.550 1.786 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccnc1)C(C)C 1722373805 QTTLJQLMZUANKI-PKOBYXMFSA-N 428.562 1.796 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC2)n1 1722429557 NKQOYOAKUKTHDM-RBUKOAKNSA-N 428.537 1.691 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1722431656 OZZAFXIMPFTLTP-QGZVFWFLSA-N 435.532 1.900 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCSC2)CC1 1722434446 RURVNZOLIDTALF-QGZVFWFLSA-N 445.614 1.857 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CCC(C)C)CC1 1722437267 BSVPKARAJJDBNE-HSZRJFAPSA-N 442.564 1.948 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722462347 MJZSDBTWJUEMDB-FQEVSTJZSA-N 446.602 1.598 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1722504637 HHYBAQPJBKZBJY-HQRMLTQVSA-N 430.553 1.658 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1722738455 JSOONXUROHQVKA-SJORKVTESA-N 425.624 1.774 30 10 IDEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729150055 GTDKHBIAOSHASG-YJBOKZPZSA-N 448.549 1.374 30 10 IDEE COc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)c(OC)c1 1730094224 CUVFORSCNSUMBE-UHFFFAOYSA-N 443.485 1.710 30 10 IDEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740577185 VEGQHSWOEMSPIK-UHFFFAOYSA-N 431.562 1.785 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1740620921 IAJYWSFPKDXLHJ-FUHWJXTLSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1740621534 NDXMOZVXSQMECK-INIZCTEOSA-N 445.574 1.427 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1740630482 JWOYWFOUIOULMB-UHFFFAOYSA-N 448.552 1.931 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740957371 LIYUOMRIKDQSQU-INIZCTEOSA-N 428.541 1.112 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1740996893 SLUAKEMXECUBCZ-CVEARBPZSA-N 428.628 1.482 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](N1CCOCC1)C(F)(F)F 1741123388 ARFGMEWFOYAIKW-UONOGXRCSA-N 431.463 1.275 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1743196463 CEDUWXANTHPYMQ-AOMKIAJQSA-N 439.589 1.921 30 10 IDEE CCN(C)C(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745890330 AAMTZWPXTPVLKL-MRXNPFEDSA-N 425.541 1.332 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1748770574 BYAVXXQNMOQUMN-OAQYLSRUSA-N 448.545 1.482 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1)OC 1749326414 DDVMKFFXNLSELU-JRGCBEDISA-N 440.548 1.635 30 10 IDEE C=CCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749439786 JKZPACAZBGTEGB-JOCHJYFZSA-N 428.537 1.941 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1749680998 VIBVRLMYQULWFE-HNNXBMFYSA-N 428.468 1.109 30 10 IDEE C=CCNC(=O)Cn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1749681768 IKVPURHUBPRZQW-FGZHOGPDSA-N 449.552 1.007 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749728465 LQMVQWMKNSOSBY-FQEVSTJZSA-N 440.548 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1749731512 GADFXBZVJOGQDX-UHFFFAOYSA-N 446.533 1.991 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749740141 QVKFXPYZUYRXGJ-CQSZACIVSA-N 439.504 1.488 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1750046898 BYCJXEOJJKEGJZ-WOJBJXKFSA-N 427.505 1.864 30 10 IDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@]1(C)CN(C)C1=O 1750919700 SKSZJCZLXNTKSK-QHCPKHFHSA-N 435.532 1.935 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1760138166 SMJMMOZISHYDMV-IRXDYDNUSA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760193452 FVFQFYDZYIIAIL-SFHVURJKSA-N 447.499 1.208 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOC[C@H]2C)CC1 1760261767 BQJSOSNSWXLHEN-HXUWFJFHSA-N 438.576 1.353 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NC(C)C)CC1 1760266869 PPITWXZEOMWHRQ-UHFFFAOYSA-N 438.532 1.444 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(C)=O)CC1 1760272084 YBWRPHVERCMTCR-UHFFFAOYSA-N 443.577 1.126 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760406406 CKHXQMJJKCTUCR-GJZGRUSLSA-N 442.586 1.768 30 10 IDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760471255 QKRGSHHZKGQFJE-OXQOHEQNSA-N 439.582 1.367 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760524774 JAKHDYWRSDSNOB-CQSZACIVSA-N 439.969 1.694 30 10 IDEE 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CN(C)CC#C[C@@H]1CCCN1C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1 1890196291 YQVVHVRNCVRTBX-LJQANCHMSA-N 447.539 1.257 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NCC(=O)NCc2ccco2)[C@@H]1c1ccc(C#N)cc1 1892262142 RXSQSMULHYFXCX-SFTDATJTSA-N 440.525 1.977 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073746530 JUNNHGMXUMCKFN-RXSFTSLZSA-N 437.346 1.840 30 10 IDEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124540352 GODWJRIGDQUKNZ-UHFFFAOYSA-N 448.329 1.787 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2194173586 PGABUIFBGCWGMO-BONVTDFDSA-N 447.164 1.825 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2247773627 MDRMWWPVBQINNZ-LSDHHAIUSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2247880633 IPGLAJSYSZKPNW-UHFFFAOYSA-N 438.355 1.883 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626953 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Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNS(=O)(=O)C2CC3(C2)OCCO3)s1 2277961698 XFNXVEBZLZYPCW-UHFFFAOYSA-N 429.369 1.681 30 10 IDEE CCn1cc(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2334269923 NJIVEKBAEBKGOZ-BMFZPTHFSA-N 446.357 1.940 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2337179213 MYIHHUMDRDRDBE-LSDHHAIUSA-N 446.357 1.801 30 10 IDEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2N)n1 20527413 YSLQRGWLCKYPJT-YAXRCOADSA-N 449.478 1.547 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1 444097849 VWOIZFISBYPPLW-APWZRJJASA-N 433.461 1.016 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 461323266 NVDIEHQVSMGQFI-HNNXBMFYSA-N 438.513 2.440 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC3CCN(c4ccccc4)CC3)C2=O)cc1 479787473 VIAGVSMSIFUKJM-QFIPXVFZSA-N 445.523 1.561 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)c(C#N)cn1CCOC 481401168 KQTQAXXDNGNBIZ-GOSISDBHSA-N 447.536 1.901 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481986106 ZZYWYCPIRSCSOH-HNNXBMFYSA-N 442.566 1.297 30 10 IDEE CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486021217 SRCQCFBJTXGMOL-HXUWFJFHSA-N 425.510 1.812 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1C#N 489675523 FMYNAXKOZJUNLK-UHFFFAOYSA-N 434.543 1.666 30 10 IDEE Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508200127 CNEOLSZWFGWDEW-UHFFFAOYSA-N 433.497 1.736 30 10 IDEE C=CCn1c(-c2ccccc2C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508808157 FWMZXELLTHKEPK-UHFFFAOYSA-N 432.550 1.139 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 508885459 PWNQHKGAALKCAZ-SFHVURJKSA-N 439.582 1.725 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 522742931 MSHKGTZMUPHPLT-QGZVFWFLSA-N 431.489 1.977 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccccc2)c1=O 531938567 UBATZTFIDMFIBE-UHFFFAOYSA-N 437.546 1.810 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 604162304 HDOZFYFDNRESBZ-UHFFFAOYSA-N 433.984 1.934 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCO3)CCN2C1=O 619851283 YLYVTFXMJYZEFA-ROUUACIJSA-N 435.488 1.468 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 669804643 OHZGESKSISVYKF-HZPDHXFCSA-N 449.581 1.756 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 731215437 DDPVENQCLOKGFY-NSHDSACASA-N 437.293 1.168 30 10 IDEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@H]1C(=O)OCC(=O)NCC#N 731247786 HYICXFVLMZEASK-AWEZNQCLSA-N 425.894 1.582 30 10 IDEE CCc1nc(CN2CCC(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cs1 732465587 HDJUDBFQXHNALK-VXPUYCOJSA-N 446.577 1.743 30 10 IDEE COc1cc(N2C[C@@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2=O)cc(OC)c1OC 732648935 WSGQSKGGNPDMCK-YOEHRIQHSA-N 428.489 1.264 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732699578 AJEGIJDHBNHDLH-LLGFUMIMSA-N 425.533 1.818 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccc(F)cc1 732795605 OYAOSGPBTMKOJD-UHFFFAOYSA-N 439.516 1.845 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 734293768 MCYTUNOXBGCHPN-UHFFFAOYSA-N 433.511 1.770 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746281819 GSLXHMUMTKDZDM-JDAKFOBDSA-N 426.473 1.850 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1 763937882 MVLPEBXOEBNVIN-OVFHLDOESA-N 435.506 1.558 30 10 IDEE C#CCN(CC#C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 765728607 MLYCCCQVZJLYSY-UHFFFAOYSA-N 443.569 1.518 30 10 IDEE C#CCC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 767301472 VGBZTYZQGCKGRL-UHFFFAOYSA-N 426.560 1.281 30 10 IDEE Cn1ncc(Br)c1C=NNc1ccccc1S(=O)(=O)N1CCOCC1 782240678 WSKVWLVXOBCPAE-UHFFFAOYSA-N 428.312 1.650 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 782375734 SSZFCNMLCBFEOR-GOSISDBHSA-N 446.554 1.567 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)n1 790108128 URWQGCROGVRVSY-UHFFFAOYSA-N 447.517 1.135 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CC(=O)NCC2(C#N)CC2)(C(=O)NCC2(C#N)CC2)C1 797780867 VPMNUWCPWHDQGW-JOCHJYFZSA-N 429.521 1.844 30 10 IDEE C#CCN(CC#C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@@H]1CCCO1 812296628 OWMCEINVIJAMBA-IBGZPJMESA-N 441.557 1.659 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCCO2)c1 812430245 IEAHRKLLFJGYSI-UXHICEINSA-N 439.516 1.991 30 10 IDEE N#CC1(CC(=O)OCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 815412979 YOJXESWLDCNCPR-UHFFFAOYSA-N 431.514 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1131198977 FXXDKFHCMIKSTN-INIZCTEOSA-N 448.545 1.773 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159489302 AACFBPIESKLNRO-QVKFZJNVSA-N 431.493 1.677 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(Br)cccc1OC 1185675787 XUNRDUGACJIPRQ-GFCCVEGCSA-N 436.349 1.410 30 10 IDEE CS(=O)(=O)c1ccc(NC(=O)Cn2cc(C#N)c(I)n2)cc1 1189592765 ZRGHZAAAIRFSCX-UHFFFAOYSA-N 430.227 1.402 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(N3CCCOC3=O)CC2)CC1 1198218178 DGSSDYLNZPKFJW-OAQYLSRUSA-N 443.523 1.841 30 10 IDEE CN1C(=O)CO[C@H](C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H]1c1cccnc1 1266351559 RFNMFDNFHVYGLE-MEZULJMPSA-N 435.484 1.753 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1286476980 MEGSDPBEKIDKEH-UHFFFAOYSA-N 440.596 1.323 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1286700168 KNINOUGIDUKYMU-INIZCTEOSA-N 441.598 1.971 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286781490 RRPHZOUMBKGPMH-MRXNPFEDSA-N 449.519 1.345 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2F)C1 1286786511 FQZNBFIOSXWVGV-SFHVURJKSA-N 425.468 1.698 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC(=O)NC(C)(C)C 1286790574 NPHOEZXIWSKVIV-UHFFFAOYSA-N 437.548 1.934 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCCC2(C)C)C1 1286809877 LUUOGCMBAMXZAE-CSODHUTKSA-N 438.594 1.903 30 10 IDEE C[C@@H](C(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 1287499672 VAFWEIMCTILQJG-RDJZCZTQSA-N 432.525 1.975 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1288995139 HZVRDWOAUASKRC-SFHVURJKSA-N 435.532 1.823 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCOCC(F)F 1298198815 OKAIEKVDEVBKRA-UHFFFAOYSA-N 448.474 1.784 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298787905 QJFFUWZPQFATDB-NRASPWIFSA-N 430.509 1.661 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1299456970 RTXMBTRLLHRHNG-IBGZPJMESA-N 438.488 1.962 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c(OC)c1 1300208498 DTAWFPFJSNLYDC-ZBFHGGJFSA-N 433.534 1.984 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1300309993 WHVFCSYLBLNXLN-CRAIPNDOSA-N 429.546 1.839 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 1300338854 IKCBQWDPGRLMEG-QGZVFWFLSA-N 433.582 1.805 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1300380655 FAVDCKOLGVOYNX-UHFFFAOYSA-N 449.519 1.743 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nnc(CC)s2)CC1 1300703338 GWTLSKASIUMUNA-UHFFFAOYSA-N 428.591 1.851 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](CC)N2CCCC2)CC1 1300710584 HTUKZQNHONWFHI-ACRUOGEOSA-N 430.597 1.632 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300762982 MEQGSXJZIMGTAH-IBGZPJMESA-N 446.621 1.283 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1301449337 GYHCAIQXNHPQFC-JOCHJYFZSA-N 436.520 1.654 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCS[C@@H](CC)C1 1301593524 OTMKRJMCAHCHOX-HNNXBMFYSA-N 427.596 1.333 30 10 IDEE COCCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)cn1 1301857730 PXXJPEROJVSJEB-ZWOKBUDYSA-N 433.488 1.335 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1302419479 MDGCZSSSWQTIDP-CQSZACIVSA-N 427.910 1.696 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302439465 HTEZSFHTNVMFJP-UHHPSXQGSA-N 448.549 1.085 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1304831373 QETBPMLYIOEOEV-KRWDZBQOSA-N 435.463 1.605 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1305271788 VXSQRBGYNANXHH-UDJKBAMHSA-N 427.509 1.177 30 10 IDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1342595498 KXBWGNDFOHLMNT-SJORKVTESA-N 444.488 1.858 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1358895522 KYTCDSDRPYJOGG-IBGZPJMESA-N 438.576 1.694 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1358926841 DSYLVRSZAIDSGL-INIZCTEOSA-N 433.516 1.662 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1358949217 VZQCLTFEISOELH-PMACEKPBSA-N 427.574 1.914 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1358960568 HHSKFFVEEKDZFI-FQEVSTJZSA-N 436.541 1.913 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358967010 BJBPJZKCHCNXAN-MOPGFXCFSA-N 432.546 1.829 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1359010138 HMGVFRNQDWDIRF-CRAIPNDOSA-N 427.596 1.356 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359062251 ANGACDMWGOAUEP-GAJHUEQPSA-N 440.523 1.892 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCCS(C)(=O)=O 1359071996 LDLIMNBHKODHSL-OAQYLSRUSA-N 426.546 1.943 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)Nc2ccc(F)cc2)CC1 1359159151 OIDXUABKYNWKBI-CQSZACIVSA-N 436.513 1.823 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1359251926 ZBUPYTKGQUMKBO-CQSZACIVSA-N 430.596 1.548 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1359258926 HKNGLNLCZSBQSL-KRWDZBQOSA-N 427.534 1.550 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1359296590 OAXNMXBQGWXOJK-OAHLLOKOSA-N 442.520 1.356 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncc(CC)s1 1359298637 HMMIALJXUWFAEI-UHFFFAOYSA-N 443.533 1.963 30 10 IDEE CC(C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(C)(=O)=O 1359715435 BFJAWHZKLHMSCX-UHFFFAOYSA-N 433.538 1.510 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2ccc(SCC(=O)N(C)CC)cc2)C1=O 1436576534 RKFGUCUNLXTHPV-AWEZNQCLSA-N 447.513 1.838 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)C2)C1 1442759072 PNWATMGXJGFSQC-GRJHGRLYSA-N 447.580 1.477 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@@H](C)O1 1494235407 GJGQQLBHGPFGEE-IYBDPMFKSA-N 430.534 1.466 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1Cc1ccc(C#N)o1 1504963061 IMSUEBCAGDODKV-HNNXBMFYSA-N 430.509 1.962 30 10 IDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CCCC1 1505118002 AHVVYSFSKPHGIJ-INIZCTEOSA-N 434.566 1.717 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507656885 LQFCDTNPPRFQPS-GOSISDBHSA-N 449.481 1.476 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N[C@@H](C)CC)CC1 1507727403 IOTMFIFZEBIZCD-INIZCTEOSA-N 429.594 1.694 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(=O)NCC)CCC2)CC1 1507896334 IVXHBFDJIPHFDV-HNNXBMFYSA-N 438.598 1.597 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1507962684 VUAYJTRGUFLDAW-GOSISDBHSA-N 443.552 1.749 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)C1 1508121288 DABDEWLZBNRBIA-LSDHHAIUSA-N 430.534 1.502 30 10 IDEE CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1CCN/C(O)=C1\N=CC=CC1=O 1512803267 VMQHXDNFADRNOC-NXHAUGRDSA-N 426.525 1.996 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOCC2)CCOC1 1516178115 BVCCUOPZKSBOHI-JOCHJYFZSA-N 432.569 1.783 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1517516536 DEIDRRBVDXQBDZ-PMACEKPBSA-N 438.532 1.831 30 10 IDEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1519057125 XIRXXEYBOUICNN-SFHVURJKSA-N 442.520 1.413 30 10 IDEE Cc1cc(C2(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCOCC2)on1 1534519611 KUJHOYUIYODCMR-QGZVFWFLSA-N 437.456 1.882 30 10 IDEE C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(S(C)(=O)=O)cc1 1535629182 RJLJAYZOWKJZCQ-HNNXBMFYSA-N 449.554 1.816 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1539147553 CEIAYICGBDGTBN-KRWDZBQOSA-N 445.593 1.637 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1539206247 NTFSSBTVPQMLAJ-MSOLQXFVSA-N 447.561 1.381 30 10 IDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1539490383 BHEZVRQTCRVEPW-UHFFFAOYSA-N 446.964 1.554 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1540034266 ZBNBQWIBWIFAKG-HNNXBMFYSA-N 437.504 1.854 30 10 IDEE N#Cc1cc(F)c(OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(Br)c1 1540185012 RAHJFQNPJQFIFW-UHFFFAOYSA-N 426.223 1.863 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cc(C)on1 1540869469 OFXMWIXKEFFHEI-UHFFFAOYSA-N 448.487 1.427 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCN(C(C)C)CC2)C1 1540894639 BTMTUFQGOCGWRS-LJQANCHMSA-N 446.596 1.417 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1=O 1541557615 IDTOXSLVRJWJJZ-UHFFFAOYSA-N 435.532 1.648 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 1542906223 VQNOJFHENJWUEW-UHFFFAOYSA-N 425.577 1.414 30 10 IDEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1546905802 BGCDXAYAYKCYGK-HXUWFJFHSA-N 439.564 1.842 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1548315176 NTPJPKWKTLYHLV-IBGZPJMESA-N 447.561 1.883 30 10 IDEE COc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1555126704 CRFHKUMVKIHYML-QGZVFWFLSA-N 430.534 1.762 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1557770289 VUDKFFQQIGSRBP-KRWDZBQOSA-N 430.482 1.662 30 10 IDEE C[S@@](=O)C1(C(=O)NCc2ccc(C(=O)NO)cc2)CCN(C(=O)OC(C)(C)C)CC1 1568181326 QKEMMJAUBZEVRG-SSEXGKCCSA-N 439.534 1.570 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)CC1 1568701172 HOEDVLSUYGVGBE-UHFFFAOYSA-N 448.449 1.040 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCCc2nc(C#N)ccc21 1585177516 HLOBKSBHISXUAN-UHFFFAOYSA-N 433.511 1.365 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)OC(C)(C)C)CCOCC1 1585592799 SDOXQJDNJCVYSQ-CQSZACIVSA-N 437.518 1.232 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCCS(C)(=O)=O 1587614789 NKJGAWNJHLFLBI-QGZVFWFLSA-N 442.545 1.650 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1587638108 BQOIDARLBMVWSM-LAUBAEHRSA-N 438.532 1.413 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCC(=O)N(C)C)c1 1587689657 OSZNDENSENBYRW-UHFFFAOYSA-N 446.515 1.660 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCCC2)CC1 1588924265 YSOLFWYBUDHQFC-UHFFFAOYSA-N 438.580 1.520 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CC2)CC1 1588962120 VGSUCUZTMPNMOH-UHFFFAOYSA-N 439.516 1.356 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1588975016 DGHQBGKBHKFBLA-CABCVRRESA-N 425.518 1.007 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1594812232 DGUAEXYECHQQAM-KRWDZBQOSA-N 429.525 1.352 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1595303772 ZCXOGQRWDXXDBC-OAHLLOKOSA-N 443.570 1.344 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC(C)(C)O 1611716813 DWYGVFYENRPGER-NXHRZFHOSA-N 446.577 1.793 30 10 IDEE N#Cc1nc(NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)ccc1Br 1626720616 GGYJWCPEZZBRMO-UHFFFAOYSA-N 430.266 1.564 30 10 IDEE C#CCOc1ccccc1CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1628086886 VGJGVLQMTRNBLP-QGZVFWFLSA-N 436.530 1.739 30 10 IDEE CC(C)c1n[nH]c(CC2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1628263355 UBKMAUICWUOQOK-UHFFFAOYSA-N 444.561 1.838 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1635977277 VVJCGIFTVPMYMA-BPKGMFCQSA-N 428.551 1.506 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)cn1 1638905827 DGEGCKGCDPVFLR-ROUUACIJSA-N 437.504 1.252 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OC 1642410590 IHMCJGXDKWAFCL-XEZPLFJOSA-N 442.921 1.433 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1645679187 IDNMAXHYSDUZAN-NSHDSACASA-N 431.964 1.196 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN1C1CCOCC1 1647729345 QRCIKODNJZNIRG-MJGOQNOKSA-N 448.589 1.653 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1648155682 NDIOHHBHRKHQEI-TWOQFEAHSA-N 425.551 1.810 30 10 IDEE C[C@H]1CS(=O)(=O)CCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1648399395 HDSWCALQGNMNFT-DLBZAZTESA-N 448.589 1.865 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(CS(N)(=O)=O)CC2)C1 1650777511 IESVISZDVVFLFT-UHFFFAOYSA-N 441.351 1.284 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC12COC2 1651416820 IHGUSHZDQLGZTD-INIZCTEOSA-N 448.317 1.795 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1652521854 XUNHTPZCMFJGSY-QPAVJXABSA-N 425.551 1.857 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 1654737308 GYSARDXXYKMTDN-XXBNENTESA-N 437.569 1.586 30 10 IDEE CCOC(=O)C1=C(CN2CCN(C(=O)CC#N)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 1658693749 NAEPWFHUWHYOJU-IBGZPJMESA-N 445.907 1.569 30 10 IDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H]2CCCC[C@@H]21 1659334337 RGFRVIMBPKSSLV-LMMKCTJWSA-N 429.521 1.557 30 10 IDEE COC(=O)[C@]1(C)C[C@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1659737813 YUTSEZVCUGAIST-JQVVWYNYSA-N 432.496 1.187 30 10 IDEE CNC(=O)[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)Cc1ccc(F)cc1C 1682261957 CTXHNTSOYRRDCJ-HNNXBMFYSA-N 429.500 1.490 30 10 IDEE COc1cc2c(cc1OC)[C@H](NC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CCCC2 1684868399 VHUISWFNYGWHRL-QGZVFWFLSA-N 439.472 1.872 30 10 IDEE C#CC[C@@H](COC)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1686255706 SEUWGIYQGAUFOW-LSDHHAIUSA-N 436.475 1.808 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1689944054 JVOMTEBWPXHNBT-SFHVURJKSA-N 438.532 1.712 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cn(C2COC2)nn1 1690026814 MGXAQRLJEXZBAM-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](F)COC)CC1 1690140173 PAXVGPGVQXFLRF-GOSISDBHSA-N 429.496 1.904 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CCOC 1690196430 KHTMNLPVOUPBQG-JOCHJYFZSA-N 445.589 1.919 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1690302677 JKFPIKIPSZBFGM-QGZVFWFLSA-N 448.545 1.941 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CS(C)(=O)=O)CC1)C1CC1 1690535739 GKQDIJRSIHVNNH-UHFFFAOYSA-N 430.534 1.905 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690661942 MAXZINHHFCEYKX-HNNXBMFYSA-N 442.520 1.356 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cnn(C)c1C 1690665574 ITJRSDHLBHWNDE-UHFFFAOYSA-N 439.520 1.943 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1690665850 RIMQWXWEBKXIPQ-YJBOKZPZSA-N 437.508 1.227 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1690666880 JHFWAIIZZKBKIG-UHFFFAOYSA-N 448.531 1.681 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCS2(=O)=O)C1 1690700466 SNTZYLXJOCYAMD-IRXDYDNUSA-N 425.555 1.337 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)CCC)CC1 1690722892 ZOCZOZOMZLLBGO-UHFFFAOYSA-N 447.565 1.221 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1692513551 LHVITCSQPFXSMD-BCHHYXHLSA-N 427.509 1.035 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1692657074 CYPBQPLLQQYZKE-OXJNMPFZSA-N 428.566 1.681 30 10 IDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1692666803 FXTHLCITEYPKOI-UHFFFAOYSA-N 435.536 1.655 30 10 IDEE CC1=C(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1692895660 MKMYJARJEDKPES-NRFANRHFSA-N 427.530 1.913 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccn2)CC1 1695929904 BNRDZIUNDOVGBZ-UHFFFAOYSA-N 444.543 1.713 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696489949 WXDPJCISZQFHOA-UHFFFAOYSA-N 445.549 1.362 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1696592681 LYGKGPIIKRWNGG-UHFFFAOYSA-N 447.490 1.309 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1705533044 UHUFNYCBXZVGDZ-GJZGRUSLSA-N 436.538 1.711 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1705571085 WOFDDPYEMTWWDQ-GOSISDBHSA-N 426.546 1.799 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)COCCO1 1705627012 QVQIXJIWEMNHIM-JOCHJYFZSA-N 438.488 1.485 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCOCC2)CC1 1705762927 LIGKFYBMNFOCQG-QGZVFWFLSA-N 426.587 1.157 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1705875656 BGQRRZKKLVQHRG-MRXNPFEDSA-N 442.607 1.716 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705902390 DBJWCMQEGPDGAM-ROUUACIJSA-N 428.541 1.209 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705906208 WXETUVSKLWRCJS-OAHLLOKOSA-N 443.577 1.431 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCOC1 1711624081 GXOBFAQAAHSVBI-PXNSSMCTSA-N 431.518 1.246 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1712581118 HBQQWRWRRFVNPC-INIZCTEOSA-N 427.509 1.721 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCC)c1 1722419316 XHZGKQBKBPVNSC-UHFFFAOYSA-N 438.532 1.398 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccco1 1722424975 HEOVOTUXCSRBHE-UHFFFAOYSA-N 428.518 1.966 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@H](O)C1 1722425273 SNMROEHDCRUOSE-QFIPXVFZSA-N 449.559 1.380 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2CCN(C(=O)OC)CC2)n1 1722427834 OWNLRLXYJTWDCG-UHFFFAOYSA-N 429.525 1.548 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCCc2ccccc2)CC1 1722435447 NGVBSLLCYQBNIZ-UHFFFAOYSA-N 431.544 1.398 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)cc1OC 1722692426 LTCOOPDLYRGCAI-UHFFFAOYSA-N 442.520 1.470 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cscn1 1722697279 JICKDGXHJLXXRK-UHFFFAOYSA-N 436.501 1.989 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722697596 MTTAVKHVZWVRGF-UHFFFAOYSA-N 449.494 1.318 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722706977 CJYOBVMSVDBLTI-SBUREZEXSA-N 438.532 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H]1CC 1722723931 JIEPBJIOOUKHBL-QLFBSQMISA-N 433.600 1.114 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1723772384 ZDIYWDDAGOBYLG-CQSZACIVSA-N 442.915 1.677 30 10 IDEE C[C@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CC(=O)N(C)C)CCO2 1726765456 GQABUVQNDQEYBG-ZHRRBRCNSA-N 440.504 1.201 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1727478722 HMGLWIHZNWEFSQ-OAHLLOKOSA-N 426.525 1.036 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1729488193 FZDXPDJSNBWXBY-UHFFFAOYSA-N 428.493 1.862 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)OC 1730472976 HIUHOCOYELLHBL-YJBOKZPZSA-N 428.493 1.057 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCN1CCOCC1(C)C 1730940831 BMWFJRLWDWPFCO-OALUTQOASA-N 432.569 1.853 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1740547950 CEFPLUFFJMXIOF-LPHOPBHVSA-N 447.561 1.920 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740589005 MAPNSQGXMLHFTB-AWEZNQCLSA-N 428.518 1.877 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740644032 RRJURHDGWFZCGJ-KRWDZBQOSA-N 445.520 1.351 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740717769 AFLYIINWLPRHCZ-SJORKVTESA-N 443.577 1.546 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740719926 UTALTSXRAHAGFO-UYAOXDASSA-N 426.590 1.787 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](OC)C(C)(C)C)C1 1740973401 XDQIWPRUZKLKBT-XHSDSOJGSA-N 429.587 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740991843 GKXGJVYLCNSVJE-RTBURBONSA-N 439.626 1.624 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1743384360 DITXVEQUAIDQLA-ONGXBYRLSA-N 426.452 1.711 30 10 IDEE CCCNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1745787309 GMJVMYUODKZGKI-LJQANCHMSA-N 433.513 1.628 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748033077 RBCGWUSZHQBJCO-ZZEZOPTASA-N 425.493 1.019 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1748731733 KLCBIEPAEGJWKZ-NVXWUHKLSA-N 435.554 1.096 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1748752390 WFGKRQIQRIPBBJ-KURKYZTESA-N 437.566 1.172 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2ccnc2C)nc1)[C@H]1CCS(=O)(=O)C1 1748803943 BHMGOFPWHSLIBG-SFHVURJKSA-N 425.518 1.151 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1748818011 UOCMAEXLPQXPEN-ZWKOTPCHSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCC1 1748829179 XOAIHCKQDSOXMB-UHFFFAOYSA-N 439.589 1.715 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCC(F)F)CC1 1748984428 MPGXURPWSHXADC-UHFFFAOYSA-N 439.470 1.630 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCN2CCCO)CC1 1748992943 KWTIZWOLVAXBNP-NRFANRHFSA-N 440.567 1.610 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCC(=O)NC 1749097907 KLORJUAHXLTIRR-UHFFFAOYSA-N 439.314 1.877 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)OC)CC1 1749676612 WYKGGCWLDQCMGE-UHFFFAOYSA-N 437.504 1.208 30 10 IDEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1749705616 AASPUWWFABKPHW-VQIMIIECSA-N 447.561 1.882 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@H]21 1750157364 CLBWTXMQHAAAKH-HRZXJQLMSA-N 428.537 1.821 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1750521376 SOPKDBQNNMJAKA-VWEBPMOJSA-N 447.515 1.627 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(C)cn1 1760110607 FYIOBNUNIWGZAC-INIZCTEOSA-N 426.550 1.901 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1760155252 UQAVMNKBGADFAW-IRXDYDNUSA-N 430.509 1.729 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1760184390 WPEYIONBJBVIDK-ZACQAIPSSA-N 442.607 1.243 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760185577 ZSYRBLSHTMHDMQ-JYRCXFKTSA-N 434.587 1.649 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1C 1760240343 OMWVRDMWSTXTTH-QFIPXVFZSA-N 439.495 1.886 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1760257762 IOIUDCDXUJYUPW-QGZVFWFLSA-N 433.482 1.980 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCNS(C)(=O)=O 1760320666 YSSNPZOAOXLMKO-IEBWSBKVSA-N 449.577 1.920 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1760412744 QJKMOGUWXJEOTA-CVEARBPZSA-N 427.571 1.438 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1760505233 OXATXIRRUWMNNH-IBGZPJMESA-N 449.577 1.607 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C1 1760639999 GIPKDEPMWCWQPV-OAQYLSRUSA-N 445.527 1.977 30 10 IDEE COCCOC1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1770071931 DOJZPRSVNGAATM-PXNSSMCTSA-N 437.516 1.826 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCO2 1772564701 SVIASDUUHAWKRM-SFHVURJKSA-N 449.533 1.053 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1772660309 ZSRIJDVYBJKCOK-MSOLQXFVSA-N 440.529 1.132 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772791058 KFCRGXSKEXGXFG-HYNSBDGHSA-N 436.342 1.726 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3C[C@H]3C(=O)N3CCc4ccccc43)CC2)nc1 1851221101 HJEVYXKRYQBOPY-NHCUHLMSSA-N 445.523 1.844 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCN(C)C1=O 1852959784 ILQYQDSERXEBMV-IRXDYDNUSA-N 425.938 1.738 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C(C)C 1854401921 WPWVCFKEAZOMOK-SFHVURJKSA-N 433.530 1.556 30 10 IDEE N#CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1856043305 BPTXEUXQKZSUST-QGZVFWFLSA-N 438.937 1.468 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@@H]1c1ccc(C#N)cc1 1889716259 CYOILHUJDQUIKO-YHELAOLJSA-N 428.558 1.229 30 10 IDEE C=CC1(N[C@@]2(C(=O)O)COC[C@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1904334325 FDGKZJZNQMALGE-XCLFUZPHSA-N 427.498 1.498 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247864208 CDHOGVBMJZVROS-KBPBESRZSA-N 438.355 1.757 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248401172 GDNUZZXIPOEORG-AAEUAGOBSA-N 441.359 1.333 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC1 2248431798 OZMOUMCKTROECJ-UHFFFAOYSA-N 438.359 1.893 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255607314 YFKCFGAJJAHQRE-BETUJISGSA-N 435.334 1.147 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)n1 2255802688 CLGYZLYVJNSUJD-UHFFFAOYSA-N 443.338 1.765 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C 2255831183 RFICICMPTLERRK-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256622406 HANQNHMJVKZCLG-KRWDZBQOSA-N 434.342 1.830 30 10 IDEE CN1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CNC(=O)C(F)(F)F)C1 2267011548 HKTICANMLUFMRJ-ZDUSSCGKSA-N 445.247 1.014 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1 2267112803 LWJUVKDKNATLCV-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267184388 UVWALAGUYRNVCO-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2267239140 NVIOYDRLNHDMSB-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270516934 NQVZDTDCTAINTM-MRXNPFEDSA-N 426.491 1.099 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CSCCS2)OC1(C)C 2282841687 WUWBWEWTDJNWPI-NSHDSACASA-N 436.455 1.710 30 10 IDEE CC#CCN(CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)C(=O)OC(C)(C)C 2300539398 NQQORQNVLNIWEB-IAGOWNOFSA-N 439.553 1.981 30 10 IDEE Cc1c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 2314457566 PRXHJIINMHZEPO-UHFFFAOYSA-N 448.526 1.078 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334262007 QICNYRNQOKIQDF-MGPQQGTHSA-N 447.345 1.100 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(N3CCC4(CC3)OCCO4)=NC(O)=C2[C@H]1c1c[nH]c2ccccc12 72444390 WEJFWHOOZJUFAS-RHSMWYFYSA-N 446.467 1.898 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)OCC)cc1 109286642 DYNNXJOLVHZHOX-LJQANCHMSA-N 428.510 1.750 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2c(Br)cc(N)cc2Br)CCO1 123261316 VJQDQHBTMUDYSA-MRVPVSSYSA-N 425.102 1.707 30 10 IDEE CN(CCNC(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1ccc(F)cc1 438006123 MIBJTMVSVUTRCL-UHFFFAOYSA-N 446.508 1.245 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 460558760 YGRAUSZGWQGUQA-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 469623233 UMMNODGXKGQKPR-HXUWFJFHSA-N 433.468 1.603 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1 469921980 ZFAQKHKMPCRSPK-LJQANCHMSA-N 434.562 1.596 30 10 IDEE Cc1nn(C)c(N2CCN(CC(=O)N3CCN([C@H](C)c4ccccc4)CC3)CC2)c1C#N 472160138 SXPMVGPIGNIDCD-HXUWFJFHSA-N 435.576 1.628 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487517628 SRFKBLHUVNYXBB-GBESFXJTSA-N 428.489 1.411 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3Cc4ccccc4C[C@H]3C(N)=O)C2=O)cc1 505334964 GZEVLQUOWWTEBL-MOPGFXCFSA-N 431.452 1.202 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 508996645 GRRXYGCNZVTBDY-SFHVURJKSA-N 431.468 1.419 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)n(Cc2ccc(F)cc2)c1C 510656153 DREMMWZCTDMSSM-GOSISDBHSA-N 447.536 1.855 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 514475033 GVNGMUNYENQZAH-OAHLLOKOSA-N 447.507 1.786 30 10 IDEE C=CCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 519902840 SNQMCACBALDEHL-UHFFFAOYSA-N 433.452 1.730 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1 539249294 MCHHZHDMXPAYRU-HXUWFJFHSA-N 433.503 1.415 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCOC3)CC2)nc1 549980660 ZOEWTVFEPWYZDX-IBGZPJMESA-N 430.516 1.894 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 554301934 RVOSTWHTTBAKJJ-MSOLQXFVSA-N 433.534 1.167 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC2)CC1 555498301 UKAUPGLOIJZKMZ-GOSISDBHSA-N 425.537 1.109 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 590914672 NQPOOWWSWSLITD-INIZCTEOSA-N 429.567 1.712 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671665536 BHOPBLFBFAWYSU-GOSISDBHSA-N 446.529 1.551 30 10 IDEE CCOC(Cn1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)nn1)OCC 726944044 QMCHCRQSNFMGIZ-KRWDZBQOSA-N 444.517 1.703 30 10 IDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 733804257 AXABYONMICCKTL-LJQANCHMSA-N 429.521 1.054 30 10 IDEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN(c2ccccc2)CC1 741339247 DAELAKGTDHODFZ-JHBCHSCWSA-N 426.473 1.183 30 10 IDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@H](C)C(=O)NC 751920602 BDLYEVAMOYEUSR-PBHICJAKSA-N 433.578 1.383 30 10 IDEE CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCOC)c1=O 755627197 KALFQFUPYQZNPV-UHFFFAOYSA-N 428.558 1.287 30 10 IDEE COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc12 759030907 ISGCPVRMFCRGRZ-MRXNPFEDSA-N 436.468 1.529 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NS(=O)(=O)CC3(C#N)CC3)C[C@H](C1)C2=O 793195762 FRJFBPPUXQIFRB-AGUYFDCRSA-N 425.507 1.198 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 802583291 SLWMBOSNMWQGFF-QGZVFWFLSA-N 428.493 1.232 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 803434621 OKARGZNBCWWXGY-AWEZNQCLSA-N 445.463 1.519 30 10 IDEE COCCOCc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1 808131456 VVFZVFLWBNVUKP-LJQANCHMSA-N 425.510 1.278 30 10 IDEE N#CC1(OCCOC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCOCC1 809080166 JJCIEBJVWJWKPK-LJQANCHMSA-N 427.457 1.095 30 10 IDEE C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 809249448 IZFKUSFQWFBKMA-ZTNWPGGGSA-N 437.496 1.910 30 10 IDEE Cn1c(N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 813628103 NVGCKQASDQKFJA-HKUYNNGSSA-N 437.500 1.487 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)[C@@H]1CCS(=O)(=O)C1 918756407 SQCOJTPDLYPLBQ-HZPDHXFCSA-N 444.600 1.106 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 1127038757 ZTWPUJAHZFPDAR-UHFFFAOYSA-N 434.905 1.691 30 10 IDEE C=C(C)C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1133157315 JKLOHXMIYLLXGF-IBGZPJMESA-N 438.546 1.654 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCS2(=O)=O 1134650657 QADRDZABGNQFQS-JFTXUKFJSA-N 442.534 1.263 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CCO2)C1 1160315939 TTWWZRLDUOJHSA-RPBSFSNWSA-N 434.493 1.141 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCN2CC)CC1 1286469899 OBESHXQDIMLKQO-LJQANCHMSA-N 436.564 1.555 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286496457 RQXCZUIUMDXROE-QGZVFWFLSA-N 441.623 1.399 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1286496859 XCNQFBJLFJNGHL-HNNXBMFYSA-N 449.602 1.826 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1286503835 JTLPWIWZTXJNNP-UHFFFAOYSA-N 429.546 1.615 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1286522333 IYGYZFQRKBXRRF-WOIUINJBSA-N 448.637 1.198 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286601869 PMWGUXLFLUSLOQ-MRXNPFEDSA-N 446.556 1.584 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286794005 SFHAAKNVZYAWSV-AJYBTWMASA-N 447.580 1.883 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1288520444 UJSUYNMOVMGMOK-KBPBESRZSA-N 449.537 1.026 30 10 IDEE CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1294558389 GANCGPSWGAJPJQ-LJQANCHMSA-N 443.525 1.906 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)CCOC1 1299800696 FOZGUFQFVBSMMX-QFIPXVFZSA-N 426.521 1.391 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300325437 ZSFICSIADDYEGJ-CVEARBPZSA-N 435.525 1.736 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCn2ccnc2C1 1300544700 CGPKIDLPSYQRIB-KRWDZBQOSA-N 433.541 1.802 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)cc2F)CC1 1300706770 RZHOVGCFOLPPJN-UHFFFAOYSA-N 430.915 1.997 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301197328 IHJGHYZAGIXOMH-UHFFFAOYSA-N 438.536 1.301 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1301816614 UXVDLDJNCWSENJ-VGOFRKELSA-N 442.520 1.937 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)NC3CCCCC3)CC2)c1 1307576565 XVRVHAKHKRCKOI-UHFFFAOYSA-N 425.533 1.383 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(Br)csc2c1 1309080045 UTTQPPWPMYZZIO-SNVBAGLBSA-N 449.373 1.870 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1316028927 HAIROLSLISZOLV-LJQANCHMSA-N 446.577 1.408 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1316339152 YOZJXORDKYYQMP-QGZVFWFLSA-N 446.533 1.317 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCOCC1 1316566844 BJAWLRBZSWIQDE-ZPHPHTNESA-N 443.895 1.747 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1 1358869564 OBKOPLOOJFVABE-INIZCTEOSA-N 426.496 1.850 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)NC)c1 1358870395 MGSNBIKOYJCKGG-MRXNPFEDSA-N 431.500 1.986 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1358874899 GBXLAVWVTNHLLO-FIKGOQFSSA-N 441.523 1.744 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1358955949 XIJXERHKEAOSOD-QGZVFWFLSA-N 430.534 1.567 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358961471 ZWNABVRZRZEBDH-NVXWUHKLSA-N 430.534 1.177 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358975515 UNXABFAEAZTJMY-UHFFFAOYSA-N 439.523 1.762 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCS(C)(=O)=O 1359007098 VEVUNNMQFOMRAO-UHFFFAOYSA-N 438.579 1.132 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2csc(C)n2)CC1 1359040510 XLXIBXMPSXMVAK-HKUYNNGSSA-N 430.578 1.765 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359123876 VFAVJNSSJKQVOT-UHFFFAOYSA-N 426.496 1.965 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359143037 SNUQOBOQVOIQAD-KGLIPLIRSA-N 432.978 1.382 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359298093 MPEDLRDVVNQQHZ-UHFFFAOYSA-N 437.464 1.205 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)OC)cc1 1359308764 XZZQCRKLQOTHHM-KRWDZBQOSA-N 437.522 1.222 30 10 IDEE N#CCC(=O)N1CCN(C(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CC1 1445694291 SYBNWDCJZTWITM-SDXDJHTJSA-N 433.497 1.984 30 10 IDEE C=C(CN(C)C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451442469 GNYXTSXHQRRZJQ-QZTJIDSGSA-N 435.569 1.498 30 10 IDEE C#CC[C@]1(C(=O)NCc2nnc3ccc(N(C)C)nn23)CCCN1C(=O)OC(C)(C)C 1456226526 DPAPOFNSDGPOER-OAQYLSRUSA-N 427.509 1.600 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)[C@H](C#N)C1 1465696443 HPKSSBLANLFRKJ-LLVKDONJSA-N 428.898 1.724 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C[C@@H]1[C@H]1CCCO1 1465872464 OBPXROYCKMQBFE-RCCFBDPRSA-N 434.537 1.766 30 10 IDEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1467990377 BGOVABDCZDLCCU-HNNXBMFYSA-N 429.970 1.723 30 10 IDEE Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1469729340 KYAAJZLUUMOFLM-NZYYMUPHSA-N 444.536 1.703 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC1(C#N)CCCCC1 1470192893 FJHFYCAVNPOUDF-KRWDZBQOSA-N 435.546 1.819 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCc2nc(C#N)cs2)cc1 1472144769 RWJHTRJIGPROKZ-DOTOQJQBSA-N 434.543 1.578 30 10 IDEE C#CC1(O)CN(C(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)C1 1472246659 NGTSFVUQSCLGLH-NTUHNPAUSA-N 437.340 1.857 30 10 IDEE Cc1cc(NC(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1473849739 CEXLTTUPWNAMNF-GDZNZVCISA-N 426.336 1.955 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507634475 KRZIKNCOBQFCJU-BPQIPLTHSA-N 434.587 1.982 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1507719779 QFPUNKMIRSIINW-JTAQYXEDSA-N 429.565 1.667 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[C@@H]2CCCCO2)CC1 1507737882 GQNKVWTTWKULAN-RBUKOAKNSA-N 442.564 1.544 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1508135676 NFFBQQZZRHRSEQ-UHFFFAOYSA-N 433.578 1.827 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1515991596 MNARNEJPQOUADP-UHFFFAOYSA-N 425.537 1.237 30 10 IDEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1517592637 COYGHRADZLNJQJ-FQEVSTJZSA-N 437.548 1.502 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1531097500 AUMVXTQWFJAVCT-MRXNPFEDSA-N 426.336 1.890 30 10 IDEE COCCOc1cc(C(=O)OC)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1532198576 ZWSRKMXQNWIXTG-UHFFFAOYSA-N 447.469 1.176 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C#N)cn1CC 1536588928 FSWOGVZSDVWFBO-QFIPXVFZSA-N 437.456 1.962 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1539051381 ADBZINUGJUUXMU-UHFFFAOYSA-N 436.559 1.387 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCOC1 1539170829 BXVFGYNBFAZIQH-QGZVFWFLSA-N 436.516 1.705 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1539178770 KFXUEHHARMFPDG-MHTXLSKPSA-N 425.555 1.425 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539211745 OHOQFDARYJJMOK-INIZCTEOSA-N 447.536 1.627 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539211794 KXJDRAUFWZTPHK-WMZOPIPTSA-N 431.562 1.531 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCCS1(=O)=O 1539238779 BVEPESDJOCRACS-FQEVSTJZSA-N 425.558 1.928 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnnn1CC1CC1 1539350733 XHZAJHNUCUUNHE-UHFFFAOYSA-N 440.533 1.253 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1539489262 JZOYNOYBAUNUHY-LJQANCHMSA-N 430.597 1.901 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1539495972 AEJMIBKOPCSQQJ-HNNXBMFYSA-N 449.602 1.826 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540864715 IZPQSRQIRMZAJI-LSDHHAIUSA-N 435.550 1.514 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1540869048 AFVCKLLUBZIBRX-INIZCTEOSA-N 429.569 1.027 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1540870096 DYNCIKPHSFZUEK-HZPDHXFCSA-N 445.524 1.906 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(CC)s1 1540871319 IZSZZDYIOOBQMW-CYBMUJFWSA-N 438.579 1.138 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2nc(C)cc2C)C1 1540892023 CYVBXOWXFWIKBL-RTBURBONSA-N 448.593 1.865 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1554128770 OYYHVELTOYLZPT-QFIPXVFZSA-N 426.521 1.973 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1555685842 APWKTZCLKWRXEX-SJLPKXTDSA-N 447.561 1.850 30 10 IDEE CC(C)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)S(=O)(=O)c1ccc(Cl)cc1 1558806158 GGFPQMRBRMFYFV-UHFFFAOYSA-N 436.877 1.110 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCc3ncc(Br)n3C2)c1 1562012928 KGIZMWPJLCFXEI-ZDUSSCGKSA-N 439.335 1.855 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1562929261 NLKNZRHMFJWROM-UHFFFAOYSA-N 434.250 1.970 30 10 IDEE O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NCCN/C(O)=C1\N=CC=CC1=O 1585295860 HREOVLYHUUFMIN-QZQOTICOSA-N 431.924 1.495 30 10 IDEE CS(=O)(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C[C@H]1C(F)(F)F 1587261006 VEQXOMMJKMEJTK-NWANDNLSSA-N 429.420 1.345 30 10 IDEE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1587942166 GNUKJCLAFDLYNE-UWJYYQICSA-N 449.529 1.138 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCOCC1 1588093235 HAAVVXIIFSMWEV-MRXNPFEDSA-N 445.365 1.840 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(F)c(Br)ccc3[nH]2)CC1 1588198916 BLJHTTMONBHKEX-UHFFFAOYSA-N 443.298 1.295 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1588481902 MYTKSAXRJJJWGB-KRWDZBQOSA-N 442.520 1.892 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)CC1 1588805728 AXQJNBYWBMFUHG-MRXNPFEDSA-N 448.449 1.773 30 10 IDEE C#CCSCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1589126018 VHBHIQMBZQAHPD-SIKLNZKXSA-N 449.621 1.598 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC 1589198666 ZINDJMNEYYISBL-KEEVHDRGSA-N 448.618 1.999 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1589289941 YRQZXRLPIQVBNF-KRWDZBQOSA-N 439.314 1.454 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[C@H](F)C2)CC1 1594096539 CVUXQOVOHMAFCJ-ULQDDVLXSA-N 427.546 1.906 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1595544590 KQFTWFBDTWARHQ-IBGZPJMESA-N 432.569 1.023 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(c3nc(C)cc(O)n3)CC2)CCCN1C(=O)OC(C)(C)C 1596360684 SVRTUXFMCMXKPS-QFIPXVFZSA-N 429.521 1.932 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1596782847 LUBQETFXPXZDEL-GDBMZVCRSA-N 429.500 1.495 30 10 IDEE CC1(C)C[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1611780927 DEECFWPHGBZOGU-IRXDYDNUSA-N 436.582 1.787 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)CC1 1615209988 YVMIWMUQMJXJDQ-UHFFFAOYSA-N 441.482 1.537 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1616215724 RMIINRWWHRWYNW-SFTDATJTSA-N 434.516 1.679 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC(C#N)CC1 1617575501 NBFSTTVFKKQTDL-RBUKOAKNSA-N 429.569 1.812 30 10 IDEE CN(C)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1617668578 BSABUAQKROUCFK-OXJNMPFZSA-N 432.525 1.736 30 10 IDEE CO[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1618975050 BVAPGITWAOOSIE-SJLPKXTDSA-N 433.534 1.748 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1620176382 CHCXRFHBVPOKPS-GOSISDBHSA-N 442.501 1.537 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H](N(C)C)C2)c1 1625360138 QHAIORKPLSYPFV-FPOVZHCZSA-N 447.601 1.791 30 10 IDEE CCc1c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nnn1Cc1ccc(F)cc1 1625791102 DAOLHDPNRJXEIW-UHFFFAOYSA-N 442.476 1.817 30 10 IDEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 1630295952 SKONPPWJEXFZSP-IBGZPJMESA-N 434.562 1.041 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 1630489981 POWWITAMOVNKBC-IRXDYDNUSA-N 433.530 1.822 30 10 IDEE CNC(=O)N[C@H]1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1632538791 WKNLUDFXYVUPNT-FUHWJXTLSA-N 427.505 1.922 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1634555012 NUBWZYPJNKFJJN-OAHLLOKOSA-N 425.938 1.188 30 10 IDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1=O 1635415480 HXXLYYASPKRDCN-WZONZLPQSA-N 432.484 1.823 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1637449003 BUGRTFVBHMNQLA-UHFFFAOYSA-N 441.557 1.977 30 10 IDEE COCCN(C(C)=O)c1nc(Cn2cc(C#N)c(I)n2)cs1 1641226291 VFQPDFOPOLXNIM-UHFFFAOYSA-N 431.259 1.863 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCCOC(C)(C)C)CC3)CC2)o1 1644314944 MWWSQBLOQNECSI-UHFFFAOYSA-N 432.569 1.326 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1644942899 KUZRFUCSQBYDQD-GOSISDBHSA-N 437.562 1.145 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](CC#N)C(F)(F)F)c1 1645935307 VQPULBRHZZHJKH-AWEZNQCLSA-N 434.440 1.408 30 10 IDEE C#C[C@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1653851870 HSKCWORCJAMQHR-FQEVSTJZSA-N 427.526 1.780 30 10 IDEE Cc1cc(Br)c(F)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1663201668 CAUYMKSQHPYNCT-UHFFFAOYSA-N 431.243 1.009 30 10 IDEE C#CC1CCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)CC1 1678453040 DSCFCIYBRZJJBK-UHFFFAOYSA-N 426.561 1.827 30 10 IDEE C[C@@H]1C[C@H](CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CN1Cc1ccccc1 1679146345 VQYKHKDRPFELDX-XBZUYWNMSA-N 430.574 1.867 30 10 IDEE C#C[C@H](NC(=O)N1CCN(CC(=O)NCCOC)CC1)c1ccc(Br)cc1 1682356753 MSMFNBCHUYQQSM-KRWDZBQOSA-N 437.338 1.213 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1689885478 JSQLXNJGHSMKBF-QGZVFWFLSA-N 430.520 1.859 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689989869 JFIUEZSTFVZXHK-KRWDZBQOSA-N 435.594 1.552 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690056300 MWBCFQCKEYDWDY-OAHLLOKOSA-N 428.459 1.237 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1690120294 PFSHWXTVFCIJHO-IBGZPJMESA-N 445.518 1.451 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC[S@](=O)CC)CC1 1690150690 QLPRTTAPWUFYQW-GDLZYMKVSA-N 433.603 1.665 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690239582 YNINJXLTHSMTSU-UEDWAMCQSA-N 447.580 1.946 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690310046 RMTKDOPPYQWAFW-UHFFFAOYSA-N 436.520 1.828 30 10 IDEE C=CCCOCCn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1690510038 QRROHCKDSXCXKV-UHFFFAOYSA-N 442.568 1.386 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1690677961 GLJBOMGJBYGLTE-LJQANCHMSA-N 438.532 1.703 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1692586783 PMLTUSWPWUXWAR-RTWAWAEBSA-N 436.532 1.923 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697733572 HFMKEIDSXLZBGM-HOTGVXAUSA-N 441.540 1.076 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@](C)(O)C(C)C 1698256079 WZNYGCZWARGDII-ZBPHCFQXSA-N 432.569 1.586 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@H]1OC 1705624018 NEWKBFFFXBJXAT-UYAOXDASSA-N 436.520 1.822 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CCCS(=O)(=O)C2)n1 1705630944 MAORUUHKBTXCAJ-GOSISDBHSA-N 448.593 1.709 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2C)CC1 1705639359 MGRXNEZSGQUMCP-SFHVURJKSA-N 447.992 1.946 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnn(CCOC)c2)CC1 1705640881 JNPTXLBQURXBII-UHFFFAOYSA-N 440.577 1.280 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)C2CC2)CC1 1705651183 MWOSCFHLXFSOGM-FQEVSTJZSA-N 439.564 1.531 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1705693913 MBKHIUWDFNLRNV-BBWFWOEESA-N 428.541 1.868 30 10 IDEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705757617 RHIMLSNJTKRELN-UHFFFAOYSA-N 434.953 1.610 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1705830114 JJQJOTOGIAGEGW-QGZVFWFLSA-N 448.568 1.922 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1705885590 XUIRUQUPNYQDDJ-LPHOPBHVSA-N 448.545 1.864 30 10 IDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705894020 LBEVKKHRFRQOHA-ARFHVFGLSA-N 428.541 1.915 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccncc1Cl 1706870343 AHXOCQQNDZGISN-ZBEGNZNMSA-N 427.893 1.427 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1712183411 OTLFGOOHPSNFHY-IIBYNOLFSA-N 428.468 1.430 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722292228 GLOYZUFSLMJOFI-AEFFLSMTSA-N 431.562 1.929 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC(=O)N1 1722300813 GTWQRMMEOHBRDH-WOJBJXKFSA-N 435.576 1.379 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1722410839 QSSGVPOAOKKJQS-FQEVSTJZSA-N 436.564 1.296 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722704119 OFONRMUXZFOYFA-JOCHJYFZSA-N 433.553 1.628 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1722728337 QEANIUWDBMSUMA-GOSISDBHSA-N 426.583 1.996 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1723666501 DBHLGUNNRASXNR-QAPCUYQASA-N 448.549 1.857 30 10 IDEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727625200 HLFWIRIZAUZHRT-XQDODVJUSA-N 447.499 1.816 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1729791250 FGUABFNHWKSDRY-OALUTQOASA-N 440.504 1.757 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)CC1=O 1730775949 CUOARWATHCIASW-NVXWUHKLSA-N 439.520 1.012 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1740616879 IIANAVJOLOECJR-OAHLLOKOSA-N 438.937 1.932 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1740642545 QZKGEDVVDJQMKE-UHFFFAOYSA-N 427.468 1.499 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCOCC1 1740680472 CVJFZMYFGSNPGK-UHFFFAOYSA-N 430.505 1.590 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1740701384 FMDFWIWYGUCVEE-DEOSSOPVSA-N 448.527 1.588 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740959391 TYXPTUAUWZQAGJ-KRWDZBQOSA-N 426.521 1.725 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](OC)C(C)(C)C)C1 1740973398 XDQIWPRUZKLKBT-ARFHVFGLSA-N 429.587 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(C)CC1 1740987739 YDICVDOKLQFDCA-PCKAHOCUSA-N 447.627 1.504 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1741003589 XVHOZTHPXCHBPP-MRXNPFEDSA-N 448.593 1.019 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1741007308 WSCZBAJJJNOXHA-HOTGVXAUSA-N 425.555 1.810 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)Cc1cccc(F)c1 1741134415 ADGHOJTVCUNXJJ-MRXNPFEDSA-N 441.511 1.494 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1741142336 LGEWHUBEEUIBOL-HDMKZQKVSA-N 433.534 1.490 30 10 IDEE Cc1nn(C)c(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1742657622 ANYROJDEASEJDE-QGZVFWFLSA-N 431.566 1.709 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1745947350 GTGBDGJPCWJELT-GOSISDBHSA-N 444.561 1.699 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC)cc2F)CCOC1 1746733458 HSKZANLCBYJDBG-UWJYYQICSA-N 431.468 1.855 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC)c1 1748692107 RKURWFDJTFRXHO-HNNXBMFYSA-N 432.550 1.745 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748818416 BGIUUKROVWOEQN-JUXOCIIHSA-N 445.589 1.688 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748825259 XCJSCMBNOOEORA-IAGOWNOFSA-N 449.577 1.063 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(C)(=O)=O)CC1 1748983576 ULYMGHNOFQUQLQ-UHFFFAOYSA-N 440.932 1.042 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NCCC)CC1 1748993937 QZOUHSCJMWVJMI-UHFFFAOYSA-N 434.548 1.188 30 10 IDEE C=C(Br)Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1749112152 CLVGPTKIKSQRNX-ZWKOTPCHSA-N 440.342 1.555 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)(C)C)CC1 1749342579 IXVGXEGARYVAET-QGZVFWFLSA-N 441.598 1.829 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1749450691 PSCVFZPWYCXZQP-UHFFFAOYSA-N 432.569 1.408 30 10 IDEE C=CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(C)(=O)=O)C1CC1 1749515858 GTVFTFABFWSPIT-UHFFFAOYSA-N 427.534 1.835 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1749669192 IEKLPHPSAJLPMN-DLBZAZTESA-N 448.568 1.777 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCS1(=O)=O 1749828443 BUIMTHFPDCUWNJ-KRWDZBQOSA-N 432.550 1.982 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1751544871 VFJXLDGYYFMCHM-OTWHNJEPSA-N 440.504 1.416 30 10 IDEE Cc1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1751884512 RSJKCFGPSPJJEP-VHEBQXMUSA-N 425.449 1.700 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1760187800 GWULSYNPDWOQSC-INIZCTEOSA-N 432.550 1.567 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760191347 FYDJCZDVKBXYKL-OALUTQOASA-N 445.589 1.742 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(OC)c2)CC1 1760251598 CUROUYNMNNGHKL-UHFFFAOYSA-N 445.527 1.932 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(-n3cccn3)cc2)CC1 1760251877 KKKYYYHAVUCSGD-UHFFFAOYSA-N 446.559 1.600 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1 1760315831 JJMYQWRISSLCHZ-BBWFWOEESA-N 428.555 1.218 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760433260 QUSWCOSXBJOMOV-IRXDYDNUSA-N 426.587 1.013 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(N(C)C)CCSC1 1760458810 VBJFDHHPYMVYSF-FQEVSTJZSA-N 425.566 1.980 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760552376 LQISSYPGMBLOPL-SFHVURJKSA-N 427.534 1.117 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1760566640 ZEHKHJCBUFEIHH-LSDHHAIUSA-N 447.652 1.472 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1763154013 WORJGMVTNUDXOI-ZEVGMECHSA-N 437.504 1.404 30 10 IDEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1=O 1764463587 UWTMTCYMENJZDW-UHFFFAOYSA-N 426.521 1.664 30 10 IDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1768880347 OXPQHVPBLRLDCM-UHFFFAOYSA-N 447.561 1.355 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 1769490298 WTLRKSUAKMDEJH-KCUHQSDYSA-N 427.505 1.597 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1770751283 FFHZTLNVEWAYTJ-BZUAXINKSA-N 426.468 1.214 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1771368190 GLQAFQUHEIZURD-MSOLQXFVSA-N 430.534 1.371 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2COCCO2)CCO1 1771535957 DRONDLHNCWYROU-KGLIPLIRSA-N 437.298 1.570 30 10 IDEE CN1C(=O)[C@@H]2CN(C(=O)C3CCN(c4c(C#N)cnc5ccc(F)cc45)CC3)C[C@H]2C1=O 1848552564 YZZODHQFGDMMTN-QZTJIDSGSA-N 435.459 1.535 30 10 IDEE C=C1CCCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1848898601 RKEDAOQOAYISLI-UHFFFAOYSA-N 435.546 1.348 30 10 IDEE CN1CCC(N2C[C@@H](C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)CC2=O)CC1 1848905037 HBVNUGAYRJTKCR-IBGZPJMESA-N 425.533 1.513 30 10 IDEE CCc1ccc(N2C[C@@H](C(=N)NOCCC(=O)N3CCN(CCC#N)CC3)CC2=O)cc1 1853562882 HWJCJASSNSEONK-IBGZPJMESA-N 440.548 1.548 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(CCOC)c(C(=O)O)cc3=O)cc21 1857897369 MHTMVCQCSFHWSX-UHFFFAOYSA-N 442.424 1.366 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)nc1 1858289139 FZBSJXSRQLUJED-UHFFFAOYSA-N 432.487 1.895 30 10 IDEE C=CCNC(=O)[C@](C)(CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861747905 LBDLMMWAUNSYAT-IBGZPJMESA-N 443.953 1.562 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCCCO)cn1Cc1ccc(S(N)(=O)=O)cc1 1870360333 GYTVJQMBECRQRJ-UHFFFAOYSA-N 447.557 1.479 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1=O 1873495050 KYCFTOCDCRYIBD-KEBDBYFISA-N 428.426 1.873 30 10 IDEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N(C)C1CN(c2nccnc2C#N)C1 1891139706 WOGULPYGVGCSQG-CYBMUJFWSA-N 425.518 1.412 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2010027166 UTBZRGLJRFFPSG-LSDHHAIUSA-N 439.509 1.826 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)C1 2243273730 FHCKGERHQZZQPS-FAGJFJLWSA-N 425.526 1.637 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243387006 LNMNSLOZUKRMAK-MRXNPFEDSA-N 440.309 1.850 30 10 IDEE CC[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2243686208 JGFDDZKDTPZMGX-LLVKDONJSA-N 426.348 1.843 30 10 IDEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)ns2)OC1(C)C 2247920465 YXUXNDHGUWHXNF-UHFFFAOYSA-N 429.351 1.419 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCCN2C(=O)OC(C)(C)C)n1 2247950783 GEFLWIWZLAJMNJ-UHFFFAOYSA-N 442.347 1.266 30 10 IDEE Cc1nc(S(=O)(=O)NCCOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2247953779 VPGLOBIOEOPKEP-UHFFFAOYSA-N 435.355 1.523 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255380508 AWDQIBOGWUASSY-JKIFEVAISA-N 435.330 1.134 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602235 OWRPLELEFPIKMO-ZIAGYGMSSA-N 436.318 1.121 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255608047 HCUJBUGSUCFHRC-ZDUSSCGKSA-N 435.334 1.196 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255817806 BHEQJNHJDJLECG-CABCVRRESA-N 436.314 1.536 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255881867 DYBDLIJNPOAASF-LSDHHAIUSA-N 433.314 1.091 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256612489 FECXCJNMLJMUCD-HUUCEWRRSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2256627521 VVSUJJDLWWGSRG-HNNXBMFYSA-N 433.314 1.955 30 10 IDEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258956643 GEQRLBLQQXZVNE-UHFFFAOYSA-N 433.318 1.595 30 10 IDEE Cn1cc(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267171199 GQTDLIVGVISKPY-RCDICMHDSA-N 446.357 1.706 30 10 IDEE C[C@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267478045 SNPQDBPRMQINKF-SWLSCSKDSA-N 441.259 1.910 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267501609 ADUNPHFMNCEIHS-CVEARBPZSA-N 446.357 1.943 30 10 IDEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504211 OYKDQVARZANBNX-SFHVURJKSA-N 435.337 1.569 30 10 IDEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267515093 JLMANVPDJJHUMQ-YPMHNXCESA-N 444.263 1.248 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267545195 FTOCSNNISJFBKY-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2267598507 AVRINEZYRIINTQ-BFHYXJOUSA-N 447.345 1.100 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267612100 YHNIAARHADCGIT-RYUDHWBXSA-N 442.247 1.447 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)O 2269069061 UNULORUTJGNGIZ-YOEHRIQHSA-N 443.309 1.508 30 10 IDEE COC[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2305258701 TXZCDEFSSIGNGO-GCJKJVERSA-N 432.521 1.691 30 10 IDEE CCn1c(N2CCOCC2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314461988 OPXPSYXYPFIGSL-UHFFFAOYSA-N 448.526 1.171 30 10 IDEE COc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(OC)c1O 2322614678 QCDCACYWBLYNRW-NSHDSACASA-N 442.881 1.425 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cn1 59913971 GTPYIXCLNVXNKP-DNTJNYDQSA-N 449.928 1.665 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)sc2ccc(C#N)cc12 428107144 KELFDFLTLRYYLW-UHFFFAOYSA-N 434.543 1.416 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)cc1 474520003 KEXVAMBGBIFSAC-UHFFFAOYSA-N 433.490 1.219 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 480936475 OBKFDGKKLSVNMO-CQSZACIVSA-N 445.566 1.284 30 10 IDEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481016180 AFRQWZRYIMXRPK-UHFFFAOYSA-N 430.505 1.985 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482555017 IVQZHUCTJHZJJF-AWEZNQCLSA-N 440.550 1.147 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1 485441779 SVGXDXIKMWCIJX-UHFFFAOYSA-N 436.759 1.711 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489085173 RGTJYNNRCLOKDJ-UHFFFAOYSA-N 434.543 1.702 30 10 IDEE Cn1c(=O)c2ccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)nc2n(C)c1=O 499387504 HXOJISHOEKMKMZ-AWEZNQCLSA-N 428.246 1.389 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(c4ccccc4F)CC3)CC2)o1 513361799 PEHWBFPBHWHUBI-UHFFFAOYSA-N 426.496 1.855 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CCCSC 517211759 RNKQABZIZXMOFA-UHFFFAOYSA-N 444.607 1.830 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)n1 531906908 CALQPFUXNYIUKE-KRWDZBQOSA-N 439.537 1.755 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccccc3)CC2)c1C#N 549538391 JHZPSUYKNHNYES-UHFFFAOYSA-N 447.547 1.705 30 10 IDEE N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 561140895 JPTHKZWIUHZRPX-UHFFFAOYSA-N 441.435 1.223 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 578177361 NPCUTIHFVPEHSY-KRWDZBQOSA-N 437.522 1.148 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1C 589157136 LXOHUYOTGJXIIC-UHFFFAOYSA-N 447.516 1.407 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 589326832 REJGBHJNOPYEQW-IBGZPJMESA-N 447.520 1.967 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 590291994 FNXXRGZACMCCIE-UHFFFAOYSA-N 449.454 1.288 30 10 IDEE N#Cc1cccc(CNC(=O)Cn2ncc(Br)c(Br)c2=O)c1 603614699 SDPSWDUVGNKFPL-UHFFFAOYSA-N 426.068 1.956 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)c(F)c1 609255405 ARUHRLZFWKDVAL-UHFFFAOYSA-N 434.424 1.631 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1C[C@@H]1CCCO1 610004080 WREJKZHYXROFAI-INIZCTEOSA-N 439.537 1.051 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)cc1 612196805 HHPPSSVEKZXMCK-UHFFFAOYSA-N 439.581 1.669 30 10 IDEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105922 QGNKDAXMLRHXDO-HJPURHCSSA-N 438.532 1.739 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)CC1 680516747 JAVQKEVAQNDPSC-UHFFFAOYSA-N 431.518 1.284 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730141740 KWFPKHOXKSAKOC-AEFFLSMTSA-N 447.605 1.827 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 734294095 CDICVZFDBVJBDF-YEJXKQKISA-N 446.529 1.808 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)NCc1ccc(C#N)cc1 755184648 HNSHCSOYWAVCFC-QGZVFWFLSA-N 444.488 1.233 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 758061126 VHKFXLMKDDFSCI-UHFFFAOYSA-N 428.517 1.653 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCN(c2ncccc2Cl)C1)/N=C1/NS(=O)(=O)c2ccccc21 758311676 QTQDDGGZLIRBHH-KGLIPLIRSA-N 447.948 1.947 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCCOc1ccc(C#N)cc1 760818068 NKDGXRKJFCXNLT-GOSISDBHSA-N 430.505 1.959 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCS(=O)(=O)CC2CC2)C1=O 764860536 NVVDVNAKFUHFAE-HNNXBMFYSA-N 427.523 1.718 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1 768417749 OEKBAXCUIKLGLZ-MRXNPFEDSA-N 445.549 1.023 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 780203371 BQFHZDFRDKIKIC-AZUAARDMSA-N 426.450 1.479 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)cc1OC 784198269 GUJVFILNPAUTNI-SOFGYWHQSA-N 437.514 1.900 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccsc3)c2=O)cn1 790434049 MSLTZQULCFBFMH-UHFFFAOYSA-N 427.555 1.595 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)c(C)o1 794578449 CAZZHEORSKUZBA-FUHWJXTLSA-N 442.537 1.797 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCCC2(C#N)CCOCC2)[C@@H](C)O)cc1C 800077333 MMIUDFMCBDPKKP-IEBWSBKVSA-N 438.546 1.975 30 10 IDEE CC(C)(C)OC(=O)NCC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810276821 DBRGLKFEBNLNSL-UHFFFAOYSA-N 436.534 1.600 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cc(F)c(C#N)c(F)c3)C2=O)cc1 816505073 LYRJELQNVONLKF-NRFANRHFSA-N 428.395 1.928 30 10 IDEE CCN1CCN(c2ccc(C/N=C3/NC[C@H]4CN(C(=O)OC(C)(C)C)CCN34)cn2)CC1 849086854 BLWWKGQEXOCWGO-IBGZPJMESA-N 443.596 1.604 30 10 IDEE C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 858004897 RQJOXMRJADDWJY-MFNCVGGLSA-N 428.420 1.115 30 10 IDEE CCn1cc(C=NNc2nc(SCC(=O)NCCc3ccc(OC)cc3)n[nH]2)cn1 1083968569 ZVMQRRFJZABNRF-UHFFFAOYSA-N 428.522 1.927 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OCC)cc3)n2N)cn1 1084261896 UVUWJORYNIBPGR-UHFFFAOYSA-N 441.521 1.950 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@@H]1CCCO1 1116150717 OPAPVSDZZZGFKD-IBGZPJMESA-N 437.565 1.605 30 10 IDEE CSc1nc(O)c(C(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1C#N 1116861454 RWZSPYJUTFSMAT-INIZCTEOSA-N 443.533 1.331 30 10 IDEE COc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2nccc(OC)c2c1 1133321267 MYHNCSFZWHHPCA-UHFFFAOYSA-N 426.454 1.929 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2CC(F)(F)C[C@H]2C1 1143290141 LFAQKKOWQHNIKA-HNNXBMFYSA-N 440.516 1.837 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)C2)c(=O)nc1O 1159489396 DIBMIIXFKDXMBR-CYBMUJFWSA-N 444.245 1.092 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C[C@@H](O)COc2ccc(CC#N)cc2)C1 1175070352 RITTUCJVKDPMMJ-GOSISDBHSA-N 444.532 1.304 30 10 IDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC)C1CCOCC1 1219366751 KHISCTGFMSAJIS-IBGZPJMESA-N 435.546 1.820 30 10 IDEE N#CCNC(=O)CN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1264596218 MDQZJEXFVKCIEF-KSIVUZQRSA-N 426.492 1.163 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1275549850 TZRDJFBVYIFJMJ-KRWDZBQOSA-N 426.494 1.921 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)c1 1277745247 CXNYCSFALONIKV-JOCHJYFZSA-N 448.502 1.898 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1286334894 CAJBSGIGZJGIOF-UHFFFAOYSA-N 428.566 1.804 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286335704 DLYJIZGBZODEES-UHFFFAOYSA-N 441.580 1.932 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 1286377069 RHUJTEXONAJZRP-WDSOQIARSA-N 447.536 1.938 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286411222 PNHGWDLPGAUYCJ-UHFFFAOYSA-N 449.536 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2COCCO2)CC1 1286489128 GUNWGRYHNUZBRK-FQEVSTJZSA-N 439.516 1.335 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286560159 CFEJQVGNQHFPEL-KONPQCLYSA-N 436.582 1.918 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1286788938 KLXSQUUGTJMRLY-MRXNPFEDSA-N 430.940 1.916 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CCO1 1286940508 BLAMBKITDFTJEG-HXUWFJFHSA-N 434.504 1.134 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1290573650 UFKYOABGONAWPO-SFHVURJKSA-N 435.546 1.826 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C(=O)C(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296640357 CIRHTHYLDSXZOT-QFIPXVFZSA-N 442.520 1.748 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1300663998 KOYIFJOHZKCPRR-UHFFFAOYSA-N 445.527 1.992 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCC(=O)NC 1300885932 UCRYOXWEQLPHFB-JZXOWHBKSA-N 439.582 1.124 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301448272 GJQXAQXNEFIBSC-JOCHJYFZSA-N 442.568 1.573 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H](C)O[C@H](C)C2)C1 1301538674 JYFYFNIQWMXOAN-FLXSYLCISA-N 441.598 1.873 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C[C@@H]1C 1301890104 GXUGPCLROTWTHA-SFHVURJKSA-N 440.548 1.515 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1303010228 SEYSAIPUGYMEQV-RBSFLKMASA-N 430.431 1.121 30 10 IDEE Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1304826464 WXTZNYIRCCVNIR-LSDHQDQOSA-N 449.515 1.512 30 10 IDEE CCCN(C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1306783062 MMWQOZLJYKDYTN-SJORKVTESA-N 446.577 1.861 30 10 IDEE O=C(NCC#CCO)NCCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 1313190603 FKGJIQXTLFAREJ-KAMYIIQDSA-N 438.303 1.780 30 10 IDEE C#CCN1CCC(NC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1313317742 MOFKGYJWRCEUAC-GOSISDBHSA-N 448.564 1.716 30 10 IDEE CCOCc1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314390700 NRXKAAYLIROETO-FMQUCBEESA-N 429.525 1.016 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCc4c(ccnc4O)C3)n2CC(=O)NCC(F)F)c1 1316530735 XTCWENQMKIZWPH-UHFFFAOYSA-N 439.426 1.861 30 10 IDEE C=CCO[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1337681404 CNRKSZXQIBNDGX-IBGZPJMESA-N 449.573 1.412 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1358975458 RHYBXEZNVLZSHW-UHFFFAOYSA-N 440.554 1.761 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1noc2c1CCCC2 1359018976 HKTZZMFGDSTEHP-QFIPXVFZSA-N 429.521 1.931 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCCN(S(C)(=O)=O)CC1 1359105377 NRNPHYRKWRDZFZ-AEFFLSMTSA-N 427.571 1.268 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359202592 XPQFKYPURMKFNC-NVXWUHKLSA-N 429.525 1.352 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)C1 1359312871 BZBDQOSDVPDOBZ-KDOFPFPSSA-N 447.458 1.390 30 10 IDEE C#CCN(C(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCS(=O)(=O)C1 1442017117 ISOMUPRGGZMVSC-MGPUTAFESA-N 439.534 1.181 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1442491973 QBNRBKMGPISKDM-UHFFFAOYSA-N 438.550 1.926 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1450721209 IITPFGGVORKHJO-UHFFFAOYSA-N 428.532 1.503 30 10 IDEE N#CC1(C[C@@H](O)CN2CCN(c3ncc(I)cn3)CC2)CCC1 1460579326 PMBFXIFHQILXNH-CQSZACIVSA-N 427.290 1.648 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H]3CCCN(C(=O)CCOc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1462988704 LMTNZVWVGFXVJP-SPEDKVCISA-N 445.541 1.091 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1464927334 ASHFFPQTOYONCY-HNNXBMFYSA-N 430.933 1.219 30 10 IDEE O=C(CNS(=O)(=O)c1cccc(Br)c1)NCc1ccc(C(=O)NO)cc1 1467527812 HCMASCNSOKNUEJ-UHFFFAOYSA-N 442.291 1.163 30 10 IDEE COC(=O)c1occc1CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1470221868 HJKUUMFFLQMYBJ-OAHLLOKOSA-N 433.486 1.836 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1470583957 UPWVURIGNAZFGY-BZSNNMDCSA-N 436.553 1.831 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1471016788 BUFAXSHWIZCMFF-INIZCTEOSA-N 447.488 1.843 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N3CCc4c(sc(N)c4C#N)C3)cc2S1(=O)=O 1472225069 NJSWHOUOSBVAHK-UHFFFAOYSA-N 446.510 1.191 30 10 IDEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1494563101 FTAXAXGSJGTRNY-SJLPKXTDSA-N 445.545 1.636 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1495702146 QUUCUMXYXRJNGI-ZFDMEJTGSA-N 431.497 1.206 30 10 IDEE CS(=O)(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1505145856 AHPNSICALFZCPG-LJQANCHMSA-N 436.513 1.281 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1507531774 DAWVBGUCHGKZBA-SJORKVTESA-N 436.516 1.938 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1507616289 IFLGNGIQXGEDBL-HOTGVXAUSA-N 439.582 1.753 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507636035 XMQOSWNJDYGYGH-WIYYLYMNSA-N 429.546 1.052 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1507759518 ITSZRHPZWMLHJS-WKRCXCSHSA-N 436.578 1.753 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1507844001 AERPHRCDULDQBF-SQNIBIBYSA-N 439.582 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1508130229 HDUVZAYQBPRRQJ-UHFFFAOYSA-N 429.506 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N(C)C)CC1 1508135747 AFIJEHJTIJAXSD-UHFFFAOYSA-N 434.566 1.569 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1508154644 ZIGVMQLAGARKSX-UHFFFAOYSA-N 429.594 1.937 30 10 IDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCOC1 1517947460 GJLMKIJUOQUIMF-JTSKRJEESA-N 440.504 1.236 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518958582 FTVFSVPUJRQTSH-QFIPXVFZSA-N 435.488 1.663 30 10 IDEE COCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519037612 RUFVPHYCNGFEJU-QGZVFWFLSA-N 443.577 1.873 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCN3C3CCOCC3)CC2)cc1 1536264193 DBBPAQWYINLWTJ-HXUWFJFHSA-N 446.573 1.328 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)ccc1F 1536887144 ZCDFZRALXNBWOP-AWEZNQCLSA-N 442.509 1.768 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539200789 OLIBDXGGLNNWAO-KRWDZBQOSA-N 435.594 1.967 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539219416 CGXKQBUTTQGMKF-ICSRJNTNSA-N 443.573 1.745 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCOC1 1539409362 YNAFMPUGKXGKGR-KRWDZBQOSA-N 436.516 1.705 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2sc(C)nc2C)CC1 1539480914 GLBTVXRNCNEVKQ-KRWDZBQOSA-N 428.562 1.869 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1539702056 ZFQJREUNCVWCGG-SFHVURJKSA-N 426.496 1.836 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539963602 YONJXRQZVLSKHN-LJQANCHMSA-N 443.596 1.720 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@H]1C 1540033381 GVFXNEMMVLXHGS-OAHLLOKOSA-N 430.509 1.656 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1540196124 PYVSCXGXWWEFMW-UHFFFAOYSA-N 438.525 1.663 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCN(C)C2)C1 1540886295 ZMGATFWRZFBKBC-WIYYLYMNSA-N 428.493 1.701 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1540909680 NCELXNCUAWVTBP-OFQRWUPVSA-N 429.612 1.811 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1542479500 NWGNENBMQVKQEF-AWEZNQCLSA-N 435.477 1.765 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1545740573 AFMVXJJBWNFLIO-DUXKGJEZSA-N 447.536 1.812 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)no1 1546369342 GEXHPXJNDAJAIX-UHFFFAOYSA-N 436.520 1.773 30 10 IDEE Cc1ccc(C(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1547268038 GTIKMONOALYHKL-UHFFFAOYSA-N 432.307 1.900 30 10 IDEE CN(C)CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1552875781 QESOPCJENFKJJB-UHFFFAOYSA-N 449.563 1.455 30 10 IDEE COC1(C)CN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554703921 JHBHEKNMFZLPSC-FMQUCBEESA-N 440.479 1.760 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1555990966 VBKYPLTUUSZQBU-CVEARBPZSA-N 437.495 1.325 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N2CCOCC2)CCO1 1555993085 HVENMZIPYNQEJY-CQSZACIVSA-N 434.859 1.325 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1 1556660322 LKLAXSCLRBZHEG-XLIONFOSSA-N 432.473 1.278 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 1559449060 YWEPHNBPYNYKOO-UHFFFAOYSA-N 436.827 1.655 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2noc(C(C)C)n2)s1 1567478715 MTPKLJSWFCFLNA-AWEZNQCLSA-N 440.547 1.861 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1570590936 ZDPRUEHTQCPENN-KRWDZBQOSA-N 448.541 1.988 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1 1570810984 AXAOQQFCCRYFGO-NRFANRHFSA-N 442.497 1.800 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN([C@@H](CC)c2ccccc2)CC1)c1cc[nH]n1 1586965574 FUGKXTFDTDOHTA-IBGZPJMESA-N 427.505 1.989 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1587638835 HNAWOZWZJUDCJB-WJONJSRFSA-N 446.552 1.523 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1587975380 ZCWWFGBBFUMAHZ-WAIKUNEKSA-N 436.516 1.674 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1588068975 DHUQRZIJYJUAPL-HKUYNNGSSA-N 441.557 1.943 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCCC2=O)cc1 1588159193 RWPBBEFHUJFFDG-UHFFFAOYSA-N 444.539 1.644 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccco2)CC1 1588752742 UQXYORQNVXLTCW-FGZHOGPDSA-N 429.521 1.186 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CN2CCCC2)CC1 1588913911 TVZCGSRKONFZAY-LJQANCHMSA-N 437.592 1.981 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1)C1CC1 1595058729 UMMOGOGBBLRZIJ-IBGZPJMESA-N 447.561 1.823 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1595467768 ZBQNSQWSHOWFNH-OAQYLSRUSA-N 425.468 1.891 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595507025 UCSFISDESCOZAK-HNNXBMFYSA-N 443.939 1.791 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)C)CC1 1595594179 LPNHPQNORBBQOT-UHFFFAOYSA-N 428.537 1.698 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1596951433 HNCRSHNVVIAUMC-HNNXBMFYSA-N 426.477 1.565 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)nn1 1606663392 NOBWEUKONXDWAY-DBWCEAHUSA-N 428.493 1.651 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nccc(Br)c2C1 1611466676 HAYKUFDEWSGQSU-LBPRGKRZSA-N 449.330 1.967 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1619543877 CJEOAHRSUVKWMS-PKOBYXMFSA-N 445.545 1.349 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c1 1622361518 HBFFGZNPESTUSD-UHFFFAOYSA-N 439.295 1.037 30 10 IDEE CN(C)[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1634520756 QRQSMUCGPIEAPU-BQFCYCMXSA-N 444.479 1.888 30 10 IDEE COC(=O)C[C@@H](C)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1635331434 NOFUXSWFIZPDTA-CQSZACIVSA-N 449.349 1.853 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1635638473 QASLOORFUZYOKC-QGZVFWFLSA-N 429.525 1.662 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)nn2)C1 1635638677 YKUVIRGUAQKTKR-IRXDYDNUSA-N 429.525 1.662 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CCO2)cc1 1638474376 JTEDNGPGVOUMDY-FQEVSTJZSA-N 428.514 1.761 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(-c2nncnn2)cc1 1639697613 MINMOFMKUPUFGB-UHFFFAOYSA-N 437.485 1.069 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1641596507 OSSLCLFUYNBCSR-MRXNPFEDSA-N 428.555 1.600 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@@H](c3cccc(OC)c3)C2)s1 1642104223 XMOKKPKUCDRXNS-GOSISDBHSA-N 435.571 1.937 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCCc2ccccn2)n1Cc1ccc(C#N)o1 1649549740 KXEHSVHTOMRBSI-HNNXBMFYSA-N 443.533 1.865 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)C1 1681226086 BXBSDNMLZXZGBA-JKDFXYPNSA-N 433.431 1.598 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1684809951 AXYSCNCWTMWOGJ-HSZRJFAPSA-N 434.544 1.994 30 10 IDEE CN(CCNC(=O)C1CCN(C(=O)NCC2(C#N)CCOCC2)CC1)Cc1ccccc1 1685656774 CKYPZGHRUVVLBI-UHFFFAOYSA-N 441.576 1.977 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1689886706 DANZJXFSWGWMMF-QGZVFWFLSA-N 449.515 1.739 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689933882 BQUFCMDGEHLVCY-UHFFFAOYSA-N 443.577 1.621 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1689966113 LBZIIJXIIXEGQD-DLBZAZTESA-N 449.602 1.385 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1689999438 AWYBAQKNTPQZHU-QGZVFWFLSA-N 441.557 1.702 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690178492 AHJOSVZLUZDYMD-UHFFFAOYSA-N 448.618 1.538 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2)CC1 1690375246 DRIYKWPNCGPEIR-SFHVURJKSA-N 435.525 1.955 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1690543955 VFXYZYFMDOKUSW-KRWDZBQOSA-N 430.534 1.340 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(COC)CCOCC1 1698136566 YPBLAORPOXCQED-UZLBHIALSA-N 425.505 1.887 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1705551019 FBBFGELYLCKHLC-HNNXBMFYSA-N 430.513 1.325 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1705628089 XIYLMQYGLFRZAS-FQEVSTJZSA-N 433.516 1.608 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1705687231 ASRVVYOGQZQHDZ-ZDUSSCGKSA-N 429.344 1.459 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1705805940 SRCFNMZKNACGLI-YJBOKZPZSA-N 426.518 1.409 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705807076 SQGPRAUVMYLRKW-RBUKOAKNSA-N 443.596 1.718 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1705884851 ZATRFXZKFPFVPY-MRXNPFEDSA-N 449.581 1.185 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705902350 CMLUQDISPJASCF-UHFFFAOYSA-N 426.525 1.363 30 10 IDEE CCN(C)C(=O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1709910543 PJKDXUJKFQZJHO-OWCLPIDISA-N 447.540 1.256 30 10 IDEE CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1711109557 ABNLIAYGIPXDRX-FQEVSTJZSA-N 435.488 1.961 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1711430949 GMMWTNAOHYNXLY-LJQANCHMSA-N 426.521 1.784 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1722277417 NIJBNCJIFBWNOD-MSOLQXFVSA-N 444.605 1.990 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722360888 CLDZELIPCIYBPR-UWJYYQICSA-N 432.546 1.741 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722364884 ARLRGVOVFYFRKT-IBGZPJMESA-N 441.557 1.441 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722368460 RWZAUIQLWCEOJD-MOPGFXCFSA-N 446.577 1.394 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722370900 RRTMVBLPOQYQDT-QZTJIDSGSA-N 449.577 1.159 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)C(C)C 1722380235 ITNVJUQHDOIKRA-UHFFFAOYSA-N 431.544 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NC 1722398226 TVTPCRHQEWNUPT-UHFFFAOYSA-N 431.500 1.829 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(C)COCCO2)n1 1722427860 PBRMTGMLSUEPLP-JOCHJYFZSA-N 430.553 1.864 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1722433105 LMLYNAJJSOPRDP-HSZRJFAPSA-N 439.564 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2snnc2C)CC1 1722447084 DIBUDQLRWOJVER-MRXNPFEDSA-N 429.550 1.346 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1722695991 XAQSFTLHYGVIEU-UHFFFAOYSA-N 431.562 1.823 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)OC)CC1 1722703121 VYJMFWJZJIOVED-UHFFFAOYSA-N 442.520 1.665 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722703280 XZDIMEQSGVENGT-NPPFBWRTSA-N 443.552 1.215 30 10 IDEE Cc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726387549 XBPPNXXJCHVVPR-MKSIGINJSA-N 444.536 1.667 30 10 IDEE C[C@@H]1C[C@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1726468537 CFKZQRSRKRLFHF-NNFUDEMPSA-N 425.530 1.827 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@H]1C 1729793022 AOSGIQQJBQFFTK-INIZCTEOSA-N 428.493 1.493 30 10 IDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1730673374 UFJNIFOHMDNSRP-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740586620 HPIPONXMNQZYGB-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1740625733 SKSCABICTFVNTO-QGZVFWFLSA-N 442.607 1.072 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1740629524 QJADHFJTTCMOKC-QFIPXVFZSA-N 448.571 1.871 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)S(=O)(=O)CC 1740635793 RFHCLWGOGQLAJQ-UHFFFAOYSA-N 434.953 1.738 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740717105 JSABPAUUZCHSLH-IAGOWNOFSA-N 447.586 1.599 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740750155 MOJXVNWSPBGYCE-IKGGRYGDSA-N 445.524 1.667 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncccc2N(C)C)CC1 1740833572 SZKRCJUNXWEINE-HNNXBMFYSA-N 433.582 1.800 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740847887 WULAAYVXGHNKSG-HOTGVXAUSA-N 438.598 1.597 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1740948577 OWXTYCZYMUYSRY-UHFFFAOYSA-N 438.532 1.486 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Br)o1 1740957602 UDUNEGSAYJYCBA-UHFFFAOYSA-N 434.298 1.973 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)C1 1740982921 YLPQDDNAQDCRRD-ZWKOTPCHSA-N 437.610 1.836 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1742834433 FVVKCYZWAATGQV-UHFFFAOYSA-N 437.529 1.632 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748801810 HEXAPGXGIBKAPB-MRXNPFEDSA-N 437.566 1.002 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1748895020 NVYSRRWOWGGVCX-GHVJWSGMSA-N 446.486 1.997 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1748948805 WVKMPFUBDPZTOP-GOSISDBHSA-N 439.520 1.270 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CCC(C)C)CC1 1748973039 VOMAOSLSUVLIPP-QHCPKHFHSA-N 439.564 1.868 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@@H]1C 1749219839 UUGNYWKMYUIQPO-INIZCTEOSA-N 427.505 1.976 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OC)CC1 1749245183 BHMMJRSRIKENNR-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE C=CCCCCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1749409767 ZDZKKECGYYNFBI-UHFFFAOYSA-N 432.569 1.439 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)(C)C)CC1 1749667226 UUQVHQZCQKQCPF-UHFFFAOYSA-N 443.552 1.619 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749680859 TWHRUSYTNSHPLE-NRFANRHFSA-N 428.468 1.015 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCSCC1 1749731008 YWSWNFRQVABKLK-UHFFFAOYSA-N 425.536 1.160 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1749732574 ZFKXISFRKCJCAT-GJZGRUSLSA-N 443.520 1.702 30 10 IDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1750570893 YNXMGOCRDAHYTR-UHFFFAOYSA-N 427.509 1.908 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760185931 HBOWYFPERQMLSC-UGKGYDQZSA-N 430.574 1.965 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760191512 ITURBEUCEIOQQG-MSOLQXFVSA-N 431.562 1.384 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CC1 1760257938 COORWXFCASXOMF-HXUWFJFHSA-N 433.560 1.540 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OCCOC)CC1 1760259790 QCHWFKCXBZVMHT-HXUWFJFHSA-N 440.548 1.743 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1760263695 LPFIBDGTTVEUMJ-HXUWFJFHSA-N 443.573 1.478 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@H]2C)CC1 1760265191 RASWKYOVAWLERJ-IEBWSBKVSA-N 442.564 1.153 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccnc2-n2cccn2)CC1 1760265246 UAYMDZVYHRWEQE-UHFFFAOYSA-N 432.532 1.996 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)nc2)CC1 1760268357 QNVYHYHRWMEOPP-UHFFFAOYSA-N 444.543 1.815 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1760322216 PNBGCNHXBNQNSW-MHORFTMASA-N 439.582 1.581 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1760450018 BLAXHYWUQCPRHL-KRWDZBQOSA-N 425.555 1.360 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1760475632 ORNMQQOYQQVDRQ-UHFFFAOYSA-N 437.508 1.287 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1760504851 DJMREGBQUFXSPC-SFHVURJKSA-N 439.582 1.750 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCO1 1760514386 DEGZAUGVUUQSOT-QGZVFWFLSA-N 446.939 1.779 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1760521357 QMRZHCLYOLPIQN-KBMXLJTQSA-N 430.534 1.559 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCS(=O)CC1 1760534267 UNNYYSZAGIHBDN-UHFFFAOYSA-N 429.546 1.582 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(O)CCOCC2)C1 1760534609 CHLDFJIIFQTNTO-KRWDZBQOSA-N 442.520 1.638 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760551563 KJRHUKFMDKQSGN-KRWDZBQOSA-N 430.534 1.624 30 10 IDEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1763357435 CABFEWNYFKRFBJ-MRXNPFEDSA-N 432.550 1.904 30 10 IDEE CN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1767130749 MGZMDEJDWSIWQW-RMYFCYLKSA-N 441.517 1.454 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767235458 ZMYFNGLBVUPYAA-XZHYIPMRSA-N 444.536 1.561 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H](C)O1 1770673806 GCVZXWQECSTOQE-LVCYWYKZSA-N 440.548 1.778 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCOCCCO)cc1 1770740072 IKOKKCFHEWRJSQ-MRXNPFEDSA-N 425.411 1.983 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(C)=O)nc1 1771112010 CYSHULLIVLZUDC-GOSISDBHSA-N 427.509 1.940 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1771130773 YETBTWXZWOLGCP-SJORKVTESA-N 430.534 1.154 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)ON1C(=O)c2ccccc2C1=O 1772786164 BGTZUGXTYAFGFT-CYBMUJFWSA-N 426.447 1.069 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)NCc2cccnc2)c1 1772790318 MNWFXWRUFAOTSS-UHFFFAOYSA-N 437.433 1.928 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H]1CCN(C)C1=O 1850863573 UCRWUKFGGQXENL-HXUWFJFHSA-N 433.574 1.949 30 10 IDEE CC(C)(C)c1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 1853471676 QQCXAKZNTNCBST-LJQANCHMSA-N 430.549 1.861 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2cc(-c3cccs3)on2)C1=O 1854218624 IOOBLELDUIXUCJ-HOTGVXAUSA-N 428.514 1.792 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)[C@@H]1C 1854258736 MSTKAARXJWSHNA-GUYCJALGSA-N 443.928 1.878 30 10 IDEE CC(C)(C)c1ccc(C(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC#N)C3)CC2=O)cc1 1856838355 IYMJMYHSOHDVJZ-GOSISDBHSA-N 432.546 1.196 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CCCCO2)CC1 1857371971 FTGCAUVHXNOBPX-LJQANCHMSA-N 431.514 1.986 30 10 IDEE C=CCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 1857784043 KGJIVLVRKRBNOW-SWBPCFCJSA-N 429.466 1.015 30 10 IDEE Cc1cc(=NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)[nH]o1 1858678244 KQPOKXIHDXYSHP-UHFFFAOYSA-N 439.453 1.717 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2010398514 VIWAHYNZDSMJMX-AWEZNQCLSA-N 426.319 1.993 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247773624 MDRMWWPVBQINNZ-CABCVRRESA-N 438.355 1.757 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247835227 IBOINWZPGWEHRC-INIZCTEOSA-N 433.261 1.725 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255710126 GYFFRJLYULBQKF-GJZGRUSLSA-N 436.314 1.943 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(CNC(=O)OC(C)(C)C)C1 2255814961 GRHQJXXSJNQASM-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 2255828000 AXXLPQWDKHTQKO-CQSZACIVSA-N 438.330 1.845 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255838383 FMEPLBMTSRPIKW-CQSZACIVSA-N 434.346 1.801 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)n1 2255840608 PAEUCKNLDRIQTB-JOCQHMNTSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2256617370 JBHNUUATDWEREN-KRWDZBQOSA-N 432.326 1.761 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2267010428 TYYDYABQGQUQFH-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2267014451 YWZSCIFDGHMXOZ-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE CC1(C)OB([C@H]2C[C@H]2C(=O)N2CC(O)(C3CCN(C(=O)C(F)(F)F)CC3)C2)OC1(C)C 2267099638 MJSZMJUIEHQOOK-KGLIPLIRSA-N 446.275 1.843 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127919 MJPPLOYGKGSBOX-KDURUIRLSA-N 436.365 1.923 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267143872 OCIVNONGIKKFKH-OALUTQOASA-N 438.337 1.434 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c(F)c2)OC1(C)C 2268990970 NCTHJSUBCVGJLZ-KRWDZBQOSA-N 444.268 1.920 30 10 IDEE Cn1cc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1 2269065792 SFFYSJXMSGLASR-INIZCTEOSA-N 443.309 1.509 30 10 IDEE C#CCCCn1c(S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21 13642853 QCCUXARSTIGMJB-UHFFFAOYSA-N 431.474 1.681 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3ccco3)n2)cc1 20832954 MTZYNBGLGUTXRO-VCHYOVAHSA-N 435.491 1.612 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc2c(c1)OCO2 427989455 GFJXEMZKYCEBQH-HNNXBMFYSA-N 427.482 1.924 30 10 IDEE N#Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 436015230 GRRDITVXLDITCS-UHFFFAOYSA-N 428.470 1.764 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 460948481 WQSMWZLFLCLPHN-HUUCEWRRSA-N 434.570 1.775 30 10 IDEE COCCOCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 461736014 JNCPLYQTWGUREA-UHFFFAOYSA-N 443.525 1.868 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 465384384 XJWRFAHMZBMBJM-GOSISDBHSA-N 445.564 1.160 30 10 IDEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 476633902 DEDXFNGVUCVRNY-NSHDSACASA-N 429.424 1.919 30 10 IDEE Cc1onc(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1C#N 499624055 XFILIGYAUSFFJL-UHFFFAOYSA-N 442.419 1.949 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 500436098 ZRCPSIUUZGQBTO-UHFFFAOYSA-N 429.458 1.683 30 10 IDEE N#Cc1ccc(CN2CCCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)cc1 501897772 XSOLSHMJBGZOPV-UHFFFAOYSA-N 438.553 1.920 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 507473073 UFMSDCHEGIMCMD-CPFNUKBASA-N 435.550 1.660 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN(C)C)cc2C1=O 510716174 OWGZEEADLOSLQA-NRFANRHFSA-N 448.523 1.488 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccccc1C#N 511072778 FHYIHJIIGRGCCC-UHFFFAOYSA-N 435.534 1.565 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(CCC#N)Cc2cccnc2)CC1 522785603 IPIZNBUSAGJEMD-UHFFFAOYSA-N 430.534 1.765 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)/C=C/c2cccc(F)c2)C1 585824772 ZCYQMPTWRUDKLW-DBHZWCICSA-N 435.455 1.941 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c(F)c1 609439832 OQSYPSWYPKOJOH-QGZVFWFLSA-N 445.472 1.905 30 10 IDEE CCN(CC(=O)NCc1cccs1)C(=O)CN1CCN(c2ncccc2C#N)CC1 619510085 MEUIDGXCYWZOAR-UHFFFAOYSA-N 426.546 1.302 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCc2nn(CC)c(=O)cc2C1 669811487 RJAFTIHFGRNBNV-UHFFFAOYSA-N 444.499 1.517 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669818430 HPXQZKGLNFNRJS-ZWKOTPCHSA-N 449.581 1.452 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCCO2 729669318 KSBMYTHZJUURSS-UHFFFAOYSA-N 427.445 1.345 30 10 IDEE C[C@@H](CC(=O)OCc1cnn(-c2ccccc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 744055820 MWLZUWLBIWITNY-AWEZNQCLSA-N 425.470 1.828 30 10 IDEE COc1ccc(CNC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1C#N 747331310 SJGWPZLJTHLWTE-HUUCEWRRSA-N 426.477 1.721 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)c2)cn1 748096343 VMDSLFMTLDMDOK-KRWDZBQOSA-N 431.566 1.441 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751678797 LPCYKJXPNWDBMF-MSOLQXFVSA-N 447.561 1.433 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 757263857 HOEWBQORGOKOMI-PUCZYUMASA-N 436.464 1.867 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 760915533 HZRMISNPCHBPOG-QGZVFWFLSA-N 446.573 1.803 30 10 IDEE COc1cc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)ncn1 764741248 RZXPRZRDUOQKCK-GJZGRUSLSA-N 431.497 1.076 30 10 IDEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 767998398 HUZIPAPOCZCIHC-HNENSFHCSA-N 427.461 1.115 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2nnnn2C)C1=O 771530303 OJVWOCVEJVLFKK-LBPRGKRZSA-N 442.332 1.827 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCc2ccccn2)C1=O 771901609 GKVNKFKRKLMHSX-QGZVFWFLSA-N 425.514 1.881 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)ccc1OC 774764826 FZTYBYRNGRGKOF-HNNXBMFYSA-N 434.518 1.895 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Oc2cnccn2)CC1 787599622 UYBOVCAOEAOHBV-UHFFFAOYSA-N 429.502 1.365 30 10 IDEE COC(=O)[C@@](C)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 794712212 QVTGTJIFUFEBQF-NRFANRHFSA-N 447.488 1.849 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(Cc2cnn(C)n2)C1=O 807936618 OOFWDLFUABZGRG-ZDUSSCGKSA-N 438.416 1.404 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCO1 812295108 WDQLSIYEDBRJSS-IBGZPJMESA-N 441.557 1.837 30 10 IDEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C)[C@H]1CCS(=O)(=O)C1 1117657603 ASGQOGGBRAXVFX-INIZCTEOSA-N 437.566 1.556 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(Br)cnc3OCC3CC3)C[C@H]1CS(=O)(=O)C2 1134649119 DDJXDLRVUOUMMD-YVEFUNNKSA-N 440.319 1.643 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1138991496 ORBWVSJIEPKTMC-RYQLBKOJSA-N 442.375 1.933 30 10 IDEE CN1CCC(C#N)(NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1144004322 XKTGNPCAWYGUGB-INIZCTEOSA-N 431.541 1.958 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)n[nH]2)c1C 1157515720 RLZKVNGLYJSPSE-CQSZACIVSA-N 448.471 1.628 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(CCN2CCOCC2)Cc2ccco2)cc1 1161850725 HLVXKXKFPSADAR-UHFFFAOYSA-N 431.514 1.427 30 10 IDEE COC(=O)[C@](C)(NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1178585096 FYMHTAGFZIFZGO-GOSISDBHSA-N 449.261 1.178 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1ccc2oc(C(=O)OCC)c(C)c2c1)C(=O)OC 1211664322 IRFIMGAWDFGUMG-HNNXBMFYSA-N 425.459 1.940 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1286272293 AWTKEXYNZHOTTB-CHWSQXEVSA-N 427.477 1.996 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1286389140 YNYROZGJKRBXOE-GJZGRUSLSA-N 441.916 1.605 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1286396190 VVLRSCJIGWDGBE-INIZCTEOSA-N 435.525 1.716 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)NC)c1 1286432734 VOHVEOANJNAQAT-UHFFFAOYSA-N 432.528 1.466 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2c(C)nn(C)c2C)CC1 1286489712 DFKXNRQTKPPERR-UHFFFAOYSA-N 434.548 1.648 30 10 IDEE C=CCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286705088 PFZXVZLMYSWHKN-IXDOHACOSA-N 448.568 1.966 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccccc2OC)CC1 1286785171 GTVKEEITLPMAOO-UHFFFAOYSA-N 435.532 1.906 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2COCCO2)C1 1286802510 UUIQYMILUXKDEG-ZWKOTPCHSA-N 448.545 1.545 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(C)c2)C1 1286813454 VLFLUPCISPLLDC-INIZCTEOSA-N 427.534 1.833 30 10 IDEE CC(C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1287201552 HXPRALDPMNURNP-ZPHPHTNESA-N 427.509 1.034 30 10 IDEE C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1288559686 CESUHLUHMXSUBZ-JFIYKMOQSA-N 432.550 1.811 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([C@H]3CCOC3)C2)n1Cc1ccc(C#N)o1 1288820622 JUKMVSKSJLPUDW-ZNMIVQPWSA-N 434.522 1.264 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1289086654 OHDSTJMQBFNMSE-UHFFFAOYSA-N 439.520 1.862 30 10 IDEE Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1290743989 UHZLYBLRPBIOTR-NRTINQSCSA-N 426.477 1.892 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1291045208 AGRDZTOQBXZFLG-XFQAVAEZSA-N 429.546 1.991 30 10 IDEE CNC(=O)C(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1298914565 DAOCFKRMRXVLJL-UHFFFAOYSA-N 427.557 1.414 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCS1(=O)=O 1300287112 UJTSKJKCUXMBDO-CRAIPNDOSA-N 440.533 1.346 30 10 IDEE C#CCCCn1c(N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1300425770 XBXCAHWTUSZCNL-QGZVFWFLSA-N 425.599 1.866 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300486764 ARQRYQIQZIVAPX-IBGZPJMESA-N 427.574 1.976 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1300495436 HPODJPMSGWWRTE-MRXNPFEDSA-N 428.624 1.609 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCC[C@@H]2C)CC1 1300685651 RITOIMPNGHUFLU-REWPJTCUSA-N 430.597 1.558 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)CCOC)CC1 1300690413 ACUMDDBJBJTOQB-QHCPKHFHSA-N 443.548 1.505 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)COC)CC1 1300691219 PYJZGYUTOMNHGV-UHFFFAOYSA-N 435.536 1.349 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1300989862 RQGDHPFSNFFBND-QGZVFWFLSA-N 442.582 1.608 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1301313142 XODHEPMIYVYOOD-XHSDSOJGSA-N 433.475 1.887 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301498252 MEFFJJDQWQOIGR-WOJBJXKFSA-N 445.612 1.427 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1301501397 WBGMXUGXJTZMIJ-IRXDYDNUSA-N 427.505 1.751 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCN(CC)CC2)C1 1301554725 LRTRZGAAQYZUSP-IBGZPJMESA-N 426.569 1.544 30 10 IDEE Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1304856127 VUGRSXDUNFWNAD-WGLILOHCSA-N 439.495 1.967 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cn(C2COC2)nn1 1305766002 BBCSIEVDJVFUQQ-NRFANRHFSA-N 441.540 1.538 30 10 IDEE C#CCN(C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1313392883 PHPHZJLHJKQHKK-ZDUSSCGKSA-N 428.536 1.822 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1314638560 GANORTSNSPPKBM-UHFFFAOYSA-N 435.532 1.886 30 10 IDEE COC[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1315943840 UFLHNLOBBPYQDV-SFJAUFLASA-N 432.525 1.243 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OC 1320114545 XHJDEZAUUPLUEP-CVEARBPZSA-N 446.504 1.900 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1ccco1 1358880415 LMEOMMSXJNGWMV-OAHLLOKOSA-N 431.460 1.402 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCC(=O)N1CCOCC1 1358899329 LGTGRWKZJPJJNP-QGZVFWFLSA-N 427.505 1.573 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1358927511 BBKMDRXPJVYPHT-NSHGMRRFSA-N 428.581 1.968 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358965231 QNDZYOPMALKAON-LAUBAEHRSA-N 434.537 1.796 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359081506 CYFDPNWMBYCPQC-CZUORRHYSA-N 434.342 1.801 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1359084194 ZZUOWZZFUJERDO-STQMWFEESA-N 433.372 1.950 30 10 IDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1)c1ccccc1 1359138669 AFYMIBRFDRKZIN-OALUTQOASA-N 432.546 1.745 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1359141331 CLTSFAVAFOVZPR-CYBMUJFWSA-N 426.930 1.937 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359303217 HUPRLDSNCKSVLN-UHFFFAOYSA-N 433.516 1.022 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359323712 VLXBLDQVIDIJFA-VEGAHXMMSA-N 449.515 1.572 30 10 IDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1451903390 MQTUHBBIHHLVOM-UHFFFAOYSA-N 431.470 1.134 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(N4CCNC4=O)cc3)C2=O)cc1 1462455212 UTMPEZHARRVGCP-IBGZPJMESA-N 446.467 1.609 30 10 IDEE Cc1ncccc1NC(=O)[C@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1468739279 VRUSIEACPXOZPX-AWEZNQCLSA-N 429.502 1.352 30 10 IDEE COC(=O)[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 1469716423 MJJGPAXQMYCDNS-KZULUSFZSA-N 447.444 1.331 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)O1 1469778273 KRUFYXCXYZTGHF-HOCLYGCPSA-N 437.518 1.074 30 10 IDEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCS(=O)(=O)N(C)C 1474918836 PFPMOBBQRZUKLM-UHFFFAOYSA-N 443.360 1.797 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCOCC2)n1 1492746082 HJYBLCMZBYUIEN-OAQYLSRUSA-N 430.532 1.694 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1497464783 DDWHMKSYFBVXAB-KRWDZBQOSA-N 426.521 1.982 30 10 IDEE CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)o1 1498259643 AYOAUOJRLIKBQA-SJCJKPOMSA-N 425.490 1.237 30 10 IDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1499856211 PRRPWCOOUZJMSO-PLNGDYQASA-N 430.534 1.777 30 10 IDEE CCCN1CCCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1501008163 CDKSKDIAHNZOTN-YGCDDZCOSA-N 443.552 1.767 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)CC1 1502426608 HCAKCWCTTNPIBU-GOSISDBHSA-N 439.589 1.828 30 10 IDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1502619421 VMUUPYZFFGIXHS-LIRRHRJNSA-N 437.522 1.312 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCC[C@@H]1CO 1507611390 PQLGHJWFXWSMJL-HXUWFJFHSA-N 435.536 1.227 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1507653861 RUJITRVUTPYZEA-IBGZPJMESA-N 442.541 1.327 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCOCC1 1507680904 LAVNYZWWUOPWKM-UHFFFAOYSA-N 449.353 1.788 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCSC2)CC1 1507717452 DKDMWDQZSLIKKC-JOCHJYFZSA-N 443.573 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507738671 UZHRYDMOOCBKSW-SFHVURJKSA-N 426.565 1.770 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507951222 DHAZDZVMIFCKID-SFHVURJKSA-N 429.569 1.949 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(c2nccs2)CC1 1508084315 MGCBVONSOCDBLT-UHFFFAOYSA-N 438.561 1.739 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1508092628 RPZJRZVPXLKDHK-GOSISDBHSA-N 441.532 1.707 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)C1 1508110469 STOLFKHPROXWAS-MRXNPFEDSA-N 428.493 1.248 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1508130480 IGXKQRIQKDZOPX-UHFFFAOYSA-N 436.582 1.929 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1512700839 OEFRZWKWWOKUIG-LONFEIEESA-N 441.532 1.974 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1517538050 LMPKZNYBUGJCIA-HOTGVXAUSA-N 432.431 1.192 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)c1 1519510235 QNFNKGLDUULTCD-OXJNMPFZSA-N 449.508 1.596 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CCCCC1 1539026482 VKJUZYSOCDTWPM-LJQANCHMSA-N 428.581 1.894 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539438256 UHGMTBFYTLFZEP-FQEVSTJZSA-N 438.557 1.539 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539635656 HGJCMMSQZDBKRE-JXFKEZNVSA-N 431.541 1.673 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1540868787 ROWOOPOEXPSTFO-UHFFFAOYSA-N 447.499 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCCCC2)C1 1540902242 DZKYAJVKLUZYPA-MOPGFXCFSA-N 437.610 1.838 30 10 IDEE C#CCN(CC(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)C(=O)OC(C)(C)C 1540972843 CBUSAVDTQILBBT-UHFFFAOYSA-N 433.505 1.697 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCc1ccccc1 1541945736 KUBFSBJLKCQFNK-AEFFLSMTSA-N 432.550 1.640 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1543103931 PHYLDVUZNDKXEP-GOSISDBHSA-N 443.548 1.706 30 10 IDEE CN(C)S(=O)(=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1552892220 VKWKZZGXOYXNFN-UHFFFAOYSA-N 446.581 1.060 30 10 IDEE CCCCn1c(CCC(=O)N[C@H](C#N)CO)nc2cc(S(=O)(=O)N3CCCC3)ccc21 1556607746 QEZKDBNWLQPMLL-MRXNPFEDSA-N 447.561 1.554 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 1558112279 DUEMWYOEVTXTAJ-MSOLQXFVSA-N 440.443 1.862 30 10 IDEE Cc1noc([C@@H]2OCC[C@@H]2NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 1560046575 URXBQDIHFNPHBJ-CMKODMSKSA-N 428.468 1.346 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)NCCS(=O)(=O)C2CCOCC2)c1 1561581957 HTHLXOMMQSNCNL-UHFFFAOYSA-N 437.337 1.193 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2c[nH]cc2-c2cc(Cl)c3c(c2)OCCO3)CC1 1568701197 IGARTXMPVCRMLA-UHFFFAOYSA-N 442.903 1.614 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC)cc1 1570556123 PHSHSJJQJXLTLR-HXUWFJFHSA-N 427.526 1.854 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1587668333 XLLRHRRUMLAINF-DYESRHJHSA-N 432.546 1.481 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1587856173 HUEVVABJYLRVIM-SFHVURJKSA-N 441.536 1.643 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC1CCCCC1 1587945836 QVDHCLRIKRGJDH-UHFFFAOYSA-N 433.520 1.829 30 10 IDEE Cn1ncc2c(N3CCN(C(=O)c4cccc(C#N)c4Br)CC3)ncnc21 1587956427 OOEWVHZCPFUFQY-UHFFFAOYSA-N 426.278 1.960 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCCS1(=O)=O 1587985105 SLWLGEKLAHHOIV-GOSISDBHSA-N 443.577 1.489 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1588074160 KPAXWJZKLQZOQT-MOPGFXCFSA-N 443.573 1.956 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn(C2COC2)nn1 1588280014 DLOMTDVZTGJSLU-UHFFFAOYSA-N 441.517 1.019 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)CC1 1588811256 DLBAFQFVSFXXSK-FQEVSTJZSA-N 429.613 1.301 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1589151236 VLYVXJTYVGGMAH-JTDSTZFVSA-N 437.566 1.424 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1589567168 AYLMGKDKSZUXMU-HBFSDRIKSA-N 427.553 1.823 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1595116548 STBVWVRMKFPSSS-LJQANCHMSA-N 446.573 1.914 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)CC1 1595467007 PGJOLQVYFVDKPT-UHFFFAOYSA-N 443.527 1.180 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595551181 MUFOPEWGQNZASQ-ZDUSSCGKSA-N 434.438 1.107 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1 1595658970 OURRTWAIFOPWLA-ROUUACIJSA-N 438.532 1.805 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)cc2C1=O 1598441029 NYACRNFIHFLJMP-AWEZNQCLSA-N 426.450 1.433 30 10 IDEE CCOc1ccc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1611159689 NSTPRQDJMBVNEQ-YWZLYKJASA-N 430.486 1.465 30 10 IDEE Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1612018116 INHMAFUUFXPEDW-ZJYNUGOYSA-N 426.477 1.846 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1612459223 CJRPIQGEPUIIIM-QHCPKHFHSA-N 434.548 1.870 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1614957937 HJYCOBUHMJBLEM-LJQANCHMSA-N 439.520 1.074 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1617254120 CHABXFHTUURFPR-HTXNQAPBSA-N 448.549 1.085 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)OC(C)(C)C)C1=O 1617833005 GFITTZZBDQHKKX-NVXWUHKLSA-N 442.472 1.270 30 10 IDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1618970675 GWAQYDDRLSEDAD-DJIMGWMZSA-N 434.522 1.005 30 10 IDEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1619847189 LJAPGIYPLPKUHG-HXUWFJFHSA-N 437.548 1.850 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 1623724098 GDAIKHWIBCZTPD-ROUUACIJSA-N 441.594 1.861 30 10 IDEE N#C[C@@H](CO)NC(=O)c1cc(I)cc(I)c1 1624090616 IWTGGFIBEMMUJT-VIFPVBQESA-N 441.994 1.510 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)CC1 1628146135 BJADCHSCTFELCW-MISYRCLQSA-N 430.346 1.619 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2=O)cc1Cl 1632132490 HNONLGKFHNWCCE-MRXNPFEDSA-N 446.916 1.669 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)CC1 1632624065 MSTSPKNJEDHWGA-UHFFFAOYSA-N 438.528 1.537 30 10 IDEE COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1636512588 LOKAQHRKHKIZIR-LUQKVYGDSA-N 449.529 1.658 30 10 IDEE COC1(OC)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@@H]1O 1639790307 DUAKGSJGIABRGP-RBUKOAKNSA-N 445.516 1.975 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CSc1ccc(C#N)cc1 1639894931 ROFKZWCWIJOGBF-UHFFFAOYSA-N 434.499 1.995 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1 1643372588 SDCDIFYHTYWPCB-UHFFFAOYSA-N 448.545 1.210 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H]1F 1645902233 MGUGMGPXFDRKIZ-ZIAGYGMSSA-N 440.497 1.189 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2=O)cc1 1646202111 LBQVEONMBZLKNG-OFAXGOBFSA-N 440.500 1.137 30 10 IDEE COc1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc(NS(C)(=O)=O)c1OC 1647933500 XZKHMVILHAUCEL-UHFFFAOYSA-N 430.486 1.883 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1649540212 USCOSCMREMEWFZ-SVMVAKDDSA-N 428.537 1.789 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC([C@@H]4COC(=O)N4)CC3)C2=O)cc1 1653002906 RTOQCFKMQOWXLW-IRXDYDNUSA-N 425.445 1.110 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)C1=O 1654148711 JAFJVPMMDQQFGK-AUSIDOKSSA-N 435.484 1.412 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H]3CCC[C@H]3C#N)CC2)c1 1654477388 DHAZRQZWDFWHKG-AZUAARDMSA-N 432.546 1.346 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1659647123 KKZFUXPFMDGZES-INIZCTEOSA-N 431.480 1.434 30 10 IDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1F 1665032210 DBCBXGWAUQAEKQ-UHFFFAOYSA-N 438.506 1.580 30 10 IDEE N#Cc1nc(NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)ccc1Br 1673983416 CYMQRWSCYMWKGH-VIFPVBQESA-N 445.320 1.734 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)CC1 1687300205 SGFLTJANXOJGLK-NRFANRHFSA-N 447.605 1.226 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NC3CCN(CC(=O)OC(C)(C)C)CC3)CC2)c1C#N 1687349145 OZXFBVWRIKOTDY-UHFFFAOYSA-N 445.568 1.238 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1690093475 AGZQRTUWDASLMR-INIZCTEOSA-N 446.577 1.296 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 1690174955 MZDFXSHPPGOLIL-QGZVFWFLSA-N 426.608 1.800 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2CCOC[C@H]2C1 1690219462 FOVIZUSJANJBCA-HUUCEWRRSA-N 430.347 1.432 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1690527224 LJVFEINQMBZDCB-GOSISDBHSA-N 448.549 1.240 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1690669000 PUIPNJGJCXKGBX-QLCIJSRNSA-N 439.545 1.972 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cnn(CC)c1 1690674178 RNVPXSJHIXMSIR-UHFFFAOYSA-N 433.520 1.672 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)C(C)(C)C)C1 1690714896 XUCVZPFVPBOPML-BZSNNMDCSA-N 435.569 1.946 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690838377 HNFHZHPMUGWCKS-QFIPXVFZSA-N 439.589 1.923 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1692583692 OJZVPXBMUYHFNA-BHDDXSALSA-N 430.553 1.927 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CCOc3ccccc3)n2CCCNS(C)(=O)=O)C1 1692846948 SZGCVBJMTJSJKC-NRFANRHFSA-N 446.577 1.969 30 10 IDEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)cn1 1693086464 KEKHTNXCYRXLSD-UHFFFAOYSA-N 445.531 1.761 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1693145303 CXXKSMRJNYWSSB-LJQANCHMSA-N 440.504 1.143 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)n1 1693425476 BBGRGIQWYBKYMM-SIKLNZKXSA-N 444.559 1.819 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCOCC1 1694778039 BUDOWSOVUWLTLL-YLJYHZDGSA-N 437.548 1.500 30 10 IDEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1696732071 DYWVTFLXAHOELA-UHFFFAOYSA-N 445.505 1.245 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@H]1C 1705575252 DOWGPICFRJODPQ-MRXNPFEDSA-N 445.365 1.840 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1705582706 HTSKPYPEHBYPBC-QGZVFWFLSA-N 449.577 1.510 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1705612172 BFYNWNWXKREMEP-GOSISDBHSA-N 429.546 1.242 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1705645845 HJNAXMOTTQMZIY-UHFFFAOYSA-N 433.516 1.261 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(CC)C2)CC1 1705649592 BETVPLVMKJPBGZ-HXUWFJFHSA-N 435.576 1.572 30 10 IDEE C#CCSCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OCC)CCOC1 1705665609 YTYVOURVOCVGFC-NRFANRHFSA-N 443.577 1.413 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cccnn2)CC1 1705896313 IQILPDGVZCHICA-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)n[nH]1 1707770748 FJGJSAAFBDYWER-UHFFFAOYSA-N 432.492 1.768 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1712648540 WJMQREDXXFYYJV-NVALYEJGSA-N 433.534 1.700 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1722381746 BAFAFHGWBWKCDC-HXUWFJFHSA-N 448.552 1.681 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722435086 FZPDZFKRZYJYKV-UHFFFAOYSA-N 448.518 1.870 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722454169 JJCPJAUSYSKZGY-UHFFFAOYSA-N 449.602 1.792 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722556346 QHLSLWSLHUPUFV-PMPSAXMXSA-N 444.989 1.036 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722681936 CGHNRLOOQGENAN-UHFFFAOYSA-N 444.561 1.519 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1722697449 JXBDHMOUALSNOF-IRXDYDNUSA-N 440.552 1.559 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1729640779 YCBHHSUBEWRMHT-HSZRJFAPSA-N 437.548 1.941 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1740551523 UDFZNENFKBVNOE-JKSUJKDBSA-N 449.515 1.547 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1740671222 BFTJHEGYJADLPW-OAHLLOKOSA-N 428.518 1.395 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)nn2C)CC1 1740698219 ALNWCAHIZJTYFM-UHFFFAOYSA-N 438.561 1.115 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740863926 IGKIDQRUCZYWIR-INIZCTEOSA-N 444.623 1.940 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740885438 GZSVQOMCQJYVPD-KRWDZBQOSA-N 434.541 1.737 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1740951069 PJEIQCDSYHBBNP-SJLPKXTDSA-N 429.569 1.172 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2OCC)CC1 1740959859 GANMZDRLRPJVKH-SFHVURJKSA-N 440.548 1.810 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740962002 OWOLHENPICAWRJ-ICSRJNTNSA-N 439.564 1.113 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1740962507 FZKVDEMBSDOGPO-UHFFFAOYSA-N 432.532 1.482 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1740987878 NREBYMPZWZSDMD-UHFFFAOYSA-N 447.561 1.613 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)OC)C1 1740988366 BZCRYARSCJBDTN-KRWDZBQOSA-N 429.502 1.417 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1741033706 GCUQKTLAMNILQA-UHFFFAOYSA-N 437.504 1.718 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1741129813 HRJZEBVTSXCCDB-CQSZACIVSA-N 448.549 1.959 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1743361303 AIDTYUZUGMVBJN-HKUYNNGSSA-N 437.548 1.629 30 10 IDEE CCOCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1747317655 OMKIDOPIVCZDQD-MSOLQXFVSA-N 440.552 1.975 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC(C)C 1748658171 PFRWKSUNDKLQIE-OAHLLOKOSA-N 433.534 1.502 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748756306 JEDYCWMOVUBHRZ-KNQAVFIVSA-N 435.576 1.666 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)cc1 1748877035 BQJWWOVYAHVFJR-GOSISDBHSA-N 442.476 1.437 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748907532 WLXQSQFGSKOMRS-UHFFFAOYSA-N 444.561 1.272 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1748990792 LFIBGAZQCVVEMF-GOSISDBHSA-N 432.569 1.794 30 10 IDEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749040105 MPVOANBPSYZGLW-QGZVFWFLSA-N 433.965 1.840 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1749067146 PYHXDQHKHILCBD-KBXCAEBGSA-N 436.563 1.108 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749421753 PTSFRSQHTSHVMO-KRWDZBQOSA-N 428.522 1.510 30 10 IDEE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1749842540 OKGNYFGVUIQOGD-MGPWXQLLSA-N 429.525 1.159 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(F)(F)CC1 1750417346 DHYZGAZDGCUYJO-DCOQFNDQSA-N 436.463 1.934 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760188193 NGIBLOGINGLABU-OALUTQOASA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1760188470 AFNSVDUVGUMUIQ-IBGZPJMESA-N 436.541 1.642 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCOC2)n1 1760252888 SRTMWSQJHIZRJZ-QFIPXVFZSA-N 430.553 1.501 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1760253454 QIERGUIKEYQWEO-MRXNPFEDSA-N 436.509 1.517 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760285001 WAZFTPRCWXURCR-IBGZPJMESA-N 429.594 1.859 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760355738 UQGOUBHYXYIAHZ-UHFFFAOYSA-N 430.557 1.855 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760356044 DWTCGKCWTDYGMW-KGLIPLIRSA-N 444.458 1.327 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C 1760517828 ZKKZAAWRLIRCPZ-HNNXBMFYSA-N 432.550 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(cccc2OC)C1 1760549233 ZRQOAKGTRWHMMU-UHFFFAOYSA-N 447.561 1.588 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1767061710 CNMFSUDRYAPIEX-CQSZACIVSA-N 435.410 1.416 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@@H]1C 1769843365 HQGZPRGMJYWKSQ-INIZCTEOSA-N 429.525 1.857 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(F)F)CCO1 1771535987 FWUVXTHAGJGRKX-OAHLLOKOSA-N 432.431 1.893 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772791057 KFCRGXSKEXGXFG-GJQVQUKXSA-N 436.342 1.726 30 10 IDEE CCCn1c(C(=O)N2CCC(c3ncccc3C#N)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1849061396 HDENBCOQLDZVHE-UHFFFAOYSA-N 434.500 1.735 30 10 IDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H](N2CCS(=O)(=O)CC2)C(C)(C)C)c1C#N 1851772437 QVJPATCGEIRZIB-ZDUSSCGKSA-N 435.472 1.709 30 10 IDEE C[C@H]1CC(=NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)NN1c1ccc(Cl)cn1 1852055721 ZNRSAVHDJYCZOL-UONOGXRCSA-N 429.912 1.774 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)cc1 1852328190 CKNBDRYBOOKUNC-HXUWFJFHSA-N 444.509 1.898 30 10 IDEE N#CCC(=O)NCCOC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1852723707 KQOCEUYBDDFLHK-UHFFFAOYSA-N 433.818 1.449 30 10 IDEE N#CCc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)nc1 1853394776 BLJRIZBISINKCY-UHFFFAOYSA-N 433.447 1.902 30 10 IDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)Cc3cccnc3Cl)C2=O)C1 1854252101 XPKPUNYFHAQWBZ-KRWDZBQOSA-N 425.876 1.825 30 10 IDEE CC(C)N(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1856648818 OJVAGDPTHHGBFT-PMACEKPBSA-N 431.558 1.763 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OCC)c(C)c3)C2)CC1=O 1856803429 LLSXMWIHLKXVKY-HOTGVXAUSA-N 438.502 1.276 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(O)c(O)c1 1874434021 JGAPMCOZIDGYSZ-LSHDLFTRSA-N 446.533 1.749 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NCC#CCN2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1889191024 KXZHDUBRMVLWKN-VXKWHMMOSA-N 440.569 1.404 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 1891084590 DDEZTYJNMVIVQX-UHFFFAOYSA-N 440.588 1.453 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1984874473 OOGNVXOMSYJOQL-UONOGXRCSA-N 427.498 1.777 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2006227830 HRDDZQUQSHQONX-IUODEOHRSA-N 425.345 1.983 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2060626177 UFGYHKFBGVPTNA-UHFFFAOYSA-N 437.346 1.808 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2060626646 ZHWCFWRQSJBWEI-HNNXBMFYSA-N 435.330 1.512 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cc(Br)ccc2C#N)[C@H](O)C1 2197488103 JTKDLPSUVMFLGI-RDTXWAMCSA-N 440.294 1.992 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542404 QYYMABXRJJUAOL-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2255598906 ZUVBDSRKZWDHII-CQSZACIVSA-N 432.330 1.838 30 10 IDEE CC1(C)OB(c2ccoc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255651145 UOBIKFMTTVQMHD-QHCPKHFHSA-N 426.322 1.946 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255697546 BWERHTGMFSUHCP-LJQANCHMSA-N 428.338 1.974 30 10 IDEE COCCN(CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255831656 ZEWHUNFFLNBDDQ-UHFFFAOYSA-N 438.334 1.322 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267005238 LOHCFYLMRMDJJL-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267115797 LOBQURWKBVIWTC-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267182594 AJYJLYGDVQHMSY-LCGIIJARSA-N 448.325 1.989 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@@H](NC(=O)OC(C)(C)C)C1 2267271393 RQNXEBWTQPZEQM-INIZCTEOSA-N 449.357 1.690 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267520055 JXOXDLPYUARCKF-HUUCEWRRSA-N 448.373 1.918 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2267523353 AEVJTSCANJQACZ-CABCVRRESA-N 446.357 1.862 30 10 IDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCCCON)c(Cl)c2)OC1(C)C 2282493771 WDDOITLUYUFDCD-UHFFFAOYSA-N 425.143 1.851 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2329013445 RJCFRFFWECRLDZ-ZDUSSCGKSA-N 431.478 1.370 30 10 IDEE CC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 14664450 UPUYEDRQTMJZQH-UHFFFAOYSA-N 435.531 1.563 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC(c4ccccc4)=N3)CC2)cc1 15545685 MRCJWDWQOJJZNF-UHFFFAOYSA-N 437.525 1.501 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 27165490 NDDBFWNKKLFPIJ-UHFFFAOYSA-N 448.589 1.311 30 10 IDEE COCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 33390507 MZEYFBREKHODPB-WJDWOHSUSA-N 448.570 1.640 30 10 IDEE N#CCCn1cc(/C=C\C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)c2ccccc21 208264530 LWQGAGJZSGJXLA-HTQXOKQJSA-N 426.542 1.946 30 10 IDEE COc1c(I)cc(C=NNC(=N)N)cc1I 254511872 ATJNYBMVFGYJKM-UHFFFAOYSA-N 444.014 1.721 30 10 IDEE Cn1nc2c(c1CNC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCCC2 463517234 OTDGDTXAWIZPPB-UHFFFAOYSA-N 442.545 1.387 30 10 IDEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4c[nH]c5ncccc45)CC3)CC2)cc1 473612426 SNBCTEKGBFANHM-UHFFFAOYSA-N 435.509 1.999 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C#N)ccn3)CC2)cc1OC 498320338 ABQVSKNWPKNLBN-UHFFFAOYSA-N 430.486 1.554 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1noc(-c2cccc(F)c2)n1 505884810 KGCMCTUXEZNZJI-GFCCVEGCSA-N 429.433 1.731 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccc(F)cc1 512766556 KCNCUHLDTRHLBV-UHFFFAOYSA-N 425.489 1.284 30 10 IDEE CCOC(=O)c1ccc(C#N)c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)n1 514931076 AGSWNXJXNIMQAF-OAHLLOKOSA-N 439.559 1.894 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2COCCO2)n1Cc1ccccc1 517063596 RKFZRTSFMHBSCK-YLJYHZDGSA-N 446.515 1.791 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C#N)c2=O)cc1F 518683618 WYSOZBCUDVVJHF-UHFFFAOYSA-N 448.479 1.558 30 10 IDEE COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cc1 532193677 GQQWJHPMKRTHAX-UHFFFAOYSA-N 449.488 1.605 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 532195680 BQZBCSVAQIUOCZ-UHFFFAOYSA-N 442.478 1.788 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OCC)cn2)CC1 549692576 CFYVWHSDZKRGQD-SFHVURJKSA-N 442.520 1.840 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCO2)CC1 550038983 SDIQXDVDCNVBRG-LJQANCHMSA-N 444.605 1.924 30 10 IDEE CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 558062708 AWIOVHMQMAHUDL-UHFFFAOYSA-N 434.543 1.648 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)oc1C 603989590 GLAXPJQEVVGSTE-AWEZNQCLSA-N 444.509 1.505 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256962 NVNFKDKYWYNSCN-UHFFFAOYSA-N 434.449 1.211 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 610122607 SOJXKKMOQWMITE-LBPRGKRZSA-N 445.335 1.991 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)CCN2C1=O 610776470 GBJYMLNTCALPGU-HIFRSBDPSA-N 429.502 1.372 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730144589 OTIFBOCSHWWUAV-MOPGFXCFSA-N 428.558 1.846 30 10 IDEE Cc1cc(I)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732708842 VTGMSHLKTOJRFB-CQSZACIVSA-N 438.269 1.737 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 765908222 YRVWCMQVLHWENL-YXJHDRRASA-N 433.486 1.169 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)c1ccc(C#N)c(N(C)CC(C)(C)S(C)(=O)=O)n1 767308041 JWSUFXHMLSDRTI-UHFFFAOYSA-N 430.596 1.472 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cc[nH]n1 772518978 BBSQBRPATJRSSW-HNAYVOBHSA-N 447.879 1.435 30 10 IDEE C#CCN(C(=O)NCCc1ccc(OCCN2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 775454557 KZKJQQHYOYGDCQ-HXUWFJFHSA-N 433.574 1.536 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CNCN(c2ccc(Cl)cc2)C1 812183463 CUPZFXASILCINV-AWEZNQCLSA-N 439.973 1.907 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCO3)n2Cc2cccs2)n1 812362570 DRPIMMXYMMAPGV-IBGZPJMESA-N 442.545 1.959 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CC3(C#N)CC3)CC2)cc1 815415232 IKESAAJJIAZXMI-UHFFFAOYSA-N 435.502 1.155 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 916178822 QLPIGTGFBUKVDY-FQEVSTJZSA-N 444.444 1.111 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 918238392 CYROGPSCRDHPOG-CLCOLTQESA-N 428.514 1.797 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)c1 1125189326 SQVUMCPRHHLCAM-HOEZRSETSA-N 432.506 1.380 30 10 IDEE Cn1c(=O)ccn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1=O 1134620288 DQKVQFMMMMIUQI-YUMQZZPRSA-N 435.271 1.176 30 10 IDEE COC(=O)CN(CC#N)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1147600691 BZOAGCDVVIWUSP-HXUWFJFHSA-N 437.452 1.411 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 1159475446 AGMDEXFSIFUVLM-YOEHRIQHSA-N 448.545 1.741 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccccc3COc3cccc(C=O)c3)C2)c(=O)nc1O 1159489321 ARSRXYHRKISBRL-UHFFFAOYSA-N 430.420 1.909 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)Cn2cnc3ccc(S(N)(=O)=O)cc3c2=O)cc1C 1190105014 XZOZGCOKEHOVEV-UHFFFAOYSA-N 439.497 1.608 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2cccc(C(=O)N3CCOCC3)c2)c1 1192972274 JSCBMHKMIFICHL-UHFFFAOYSA-N 430.482 1.843 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CC1 1198016895 NJJVZHSFZKKNJZ-UHFFFAOYSA-N 433.465 1.630 30 10 IDEE C=CCc1cc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc(OC)c1OC 1225350424 KINFCLVIIYGIMV-HSZRJFAPSA-N 433.549 1.847 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1233927473 HLVMUCKYIWRWMW-MSOLQXFVSA-N 436.553 1.668 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C[C@H]1C2 1255023344 IGCFORCCCBXPBY-ATVMEBTJSA-N 438.550 1.354 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286388473 PRPRLIMJXLAHPN-QGZVFWFLSA-N 441.513 1.925 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286416656 QLZXCALNTNVMRG-IPMKNSEASA-N 447.605 1.551 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1286442561 FAQXDIVQPSPHIT-UHFFFAOYSA-N 447.543 1.958 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(OC)c2)CC1 1286472332 GNVCFCNNXMKTRI-DEOSSOPVSA-N 439.560 1.937 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCC(=O)NC2CC2)CC1 1286490584 YQQSQNKNUQBOEK-UHFFFAOYSA-N 435.532 1.365 30 10 IDEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1286599224 QJSZGQIBUKGYFB-KGLIPLIRSA-N 443.480 1.707 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286607847 KLSRDQSOTIWVEN-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286780725 ZKDVMUOYQDCLCA-OAHLLOKOSA-N 434.504 1.304 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2cncn2)C1 1286790287 MKJVYPZDRXBMEM-SFHVURJKSA-N 436.520 1.635 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)N2CCOCC2)CCOC1 1288304300 DCTYOSPUFRWQLP-IOMROCGXSA-N 436.532 1.481 30 10 IDEE COC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1289259666 DWYNOUGIFQDSKW-QGZVFWFLSA-N 427.482 1.871 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1291252425 TZMPYOFAYHXMEC-NHWLHPCLSA-N 430.509 1.312 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1295173879 HVROOCVDXUKQEE-SFHVURJKSA-N 444.561 1.602 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)CCOC1 1296662651 FSWPWUDRNXEILS-WIYYLYMNSA-N 435.525 1.245 30 10 IDEE CO[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1299564242 SUPRMDYNUUCFQL-BZUAXINKSA-N 436.513 1.350 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1300403794 PYVHCJRFACBCLC-GOSISDBHSA-N 433.516 1.803 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1300479618 QMTDNJQBQOWYPF-GOSISDBHSA-N 447.605 1.967 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1300690852 RSXJLAPMHCGULI-FQEVSTJZSA-N 426.565 1.959 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300761195 ACHHHOPOAUFDOC-YJBOKZPZSA-N 448.570 1.780 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1301528703 GAXUVSYEOLPZKX-GOSISDBHSA-N 440.548 1.992 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@@H]2C(=C)C)C1 1301538169 FWEMJKCBLMSSRR-WNRNVDISSA-N 439.582 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCNC(=O)CC1 1301585800 FBMBMQHZUGCHME-UHFFFAOYSA-N 442.545 1.208 30 10 IDEE COCCOCCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302211427 IRDCDWRBHBPWCS-UHFFFAOYSA-N 435.488 1.928 30 10 IDEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1303003294 DYMWTQGKIADBCG-HOTGVXAUSA-N 428.459 1.928 30 10 IDEE C[S@@](=N)(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1303355001 UTQKMVWXJCMOII-PMERELPUSA-N 432.506 1.758 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)Cc3ccc(F)cc3)CC2)cc1 1303695540 FTPJVPCZJDPOAX-FQEVSTJZSA-N 445.516 1.818 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1313549883 AMKVSLFBZMXISQ-HNNXBMFYSA-N 425.493 1.572 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1316097446 CFOYXKZIEXMJGN-DYESRHJHSA-N 432.525 1.219 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCN2CCCO)CCO1 1316538445 KKSNDRPBUCTNEB-IRXDYDNUSA-N 431.928 1.569 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358896075 WSBHBWJBTJAKRT-LSDHHAIUSA-N 428.459 1.122 30 10 IDEE C#CCCCn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1358935482 KDEJSOXMFBJDRC-FUHIMQAGSA-N 426.583 1.990 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1358937883 KHQKLHGLSOQQDZ-SNVBAGLBSA-N 432.369 1.830 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358960873 NHHYHNBZCQLMEQ-HOTGVXAUSA-N 437.472 1.391 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@H]2CCOC2)cn1 1358982168 MRXKDBVVYHSKKN-FQEVSTJZSA-N 432.532 1.613 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1359099457 OBCIFVKUHWSUBU-BJLQDIEVSA-N 432.569 1.021 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359132837 GQPSGXUEZXYOEH-QZTJIDSGSA-N 447.561 1.826 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](Cn2ccnn2)C1 1453218067 YLDFWGGSTRDTCM-WBVHZDCISA-N 430.534 1.280 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)s1 1456306839 NBYHHNQVYMSTAW-UHFFFAOYSA-N 435.984 1.818 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnn3cc(Br)cnc23)c1 1462859482 LOCQMIWQUOJJIN-UHFFFAOYSA-N 448.302 1.732 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1467460926 CPBFZKWOQJWCSB-AWEZNQCLSA-N 432.539 1.473 30 10 IDEE Cc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1S(N)(=O)=O 1467662794 HUYLJRFQPVASBZ-OAHLLOKOSA-N 446.916 1.837 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(SCC)cc2Br)CC1 1467814305 KEQVGZBPFMIYDL-UHFFFAOYSA-N 438.391 1.997 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)ccc1F 1470536090 OYVLSDSXMWXWTM-UHFFFAOYSA-N 445.476 1.793 30 10 IDEE CCc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1499154826 ZGTNNELAONHRRD-QZQOTICOSA-N 437.504 1.399 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1504885382 YUEINTFWBQHIDL-OAHLLOKOSA-N 440.508 1.207 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1504888436 QWBGVVIMYGZOIC-IRXDYDNUSA-N 447.565 1.006 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCCC1 1504993493 GKNLFKVEHFXHOU-UYAOXDASSA-N 431.585 1.665 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507627323 DNQGNKPRBHMXFO-INIZCTEOSA-N 447.536 1.483 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1507629738 PBYXIEMJUPCPHH-HNNXBMFYSA-N 436.335 1.875 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1507644635 KMWMKQVLBKLGED-YLJYHZDGSA-N 441.557 1.693 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1507752609 CRDKLNFVZGODKV-NQIIRXRSSA-N 430.578 1.890 30 10 IDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1507786555 BCJSIMBOBHYWFH-UHFFFAOYSA-N 435.326 1.468 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1507795441 IDOSQKCHHDWPQB-DYVFJYSZSA-N 449.353 1.964 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1507954945 SKVXVEUAMMDPLQ-MSOLQXFVSA-N 449.581 1.652 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(C)C)CC1 1508094704 JKECNBAGZLFUQP-UHFFFAOYSA-N 449.559 1.888 30 10 IDEE N#Cc1c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cccc1OC(F)(F)F 1528153364 GXJSOAPJTJDHAB-JTQLQIEISA-N 444.391 1.561 30 10 IDEE N#Cc1csc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 1538517182 IHEHQURKLRZUTF-CYBMUJFWSA-N 432.483 1.268 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539161565 MMKYLDTUGHAXQE-CQSZACIVSA-N 437.953 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539258370 WJBBTEVCCAGPFN-NRFANRHFSA-N 433.560 1.664 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCOCC1CCOCC1 1539290685 KKGXRALIKULMNT-UHFFFAOYSA-N 427.549 1.810 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1539444934 YDMWVAODOGCTKE-UHFFFAOYSA-N 447.518 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCOC(F)F)CC1 1539484598 WFALFUMWPIBZGC-UHFFFAOYSA-N 432.475 1.859 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1540073574 RUFARWVIBUCIQU-GJZGRUSLSA-N 433.525 1.158 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCN(C)C1 1540084778 YTOUMYANKPIBSI-XMMPIXPASA-N 439.608 1.332 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1540876043 GBLJHCFFHFKVCE-QGZVFWFLSA-N 447.458 1.126 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)(F)F)C1 1540902642 NNKABHFEHZLKNE-QWHCGFSZSA-N 435.472 1.609 30 10 IDEE CC(C)(C)Cc1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1\N=CC=CC1=O 1541170976 HFEDBDZKMAEQPB-DGIHTPRRSA-N 442.564 1.990 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 1545840182 WOBPRBKYKAOETK-SJLPKXTDSA-N 448.545 1.672 30 10 IDEE CN(C)CCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1552875465 NBHXAQFMOIJZAA-SFHVURJKSA-N 437.504 1.907 30 10 IDEE COC1(C)CN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554703922 JHBHEKNMFZLPSC-VXPUYCOJSA-N 440.479 1.760 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1555484312 RCMPLRGNMOYSOA-HSZRJFAPSA-N 437.548 1.501 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)CC1 1563309606 VFYARIWVGDVQJT-UHFFFAOYSA-N 430.509 1.627 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CCO2 1565340488 GJKVIRZSDPMZOF-GLCVTWPJSA-N 426.517 1.907 30 10 IDEE CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)N2CCN(C(=O)CC#N)CC2)CC1 1566317575 CMKQUOSENXDXCE-UHFFFAOYSA-N 431.493 1.987 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 1584640569 OTAMRRLSRWWCHK-UHFFFAOYSA-N 431.445 1.236 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 1587943593 DSPQKVQKGVCKFC-IAGOWNOFSA-N 438.569 1.960 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NC)c1 1588159606 ZTCXEPCXMVMNER-UHFFFAOYSA-N 446.536 1.750 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)n1 1588722748 DZQXOSMELHFLHS-RTBURBONSA-N 443.596 1.957 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCc3nccn3C2)CC1 1588750753 FEXIQNSRWWIZJF-RTBURBONSA-N 427.553 1.216 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2CN(C)C(C)C)CC1 1588806559 VFKYFTFGBYYWFV-JOCHJYFZSA-N 449.603 1.873 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC=C)CC1 1588908274 MQMNPQHHWYZTMD-UHFFFAOYSA-N 436.516 1.222 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1593683273 KBMHGMVQPLYPJR-XMSQKQJNSA-N 434.585 1.543 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1595303235 NYTKJGKCZXSPQC-GVDBMIGSSA-N 427.571 1.467 30 10 IDEE CC(C)N(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1607938029 CEGPXAMXXPTXPO-INIZCTEOSA-N 436.520 1.261 30 10 IDEE CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(=O)NCC(F)(F)F 1614032292 AOUOFHWYVHZEFZ-UHFFFAOYSA-N 434.360 1.541 30 10 IDEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1617628410 HXWVLUYRUYQVPX-MJGOQNOKSA-N 440.504 1.026 30 10 IDEE COC(=O)C1(C#N)CCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1617960502 CZXKXJLXGKSLIN-QGZVFWFLSA-N 439.434 1.946 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1618828982 BWSXXISXTOVCRY-UHFFFAOYSA-N 434.508 1.039 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c1 1622135216 AMGBWVSWCJETKD-GOSISDBHSA-N 449.573 1.765 30 10 IDEE CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1626655356 DVGJIDCGUCITHB-DJJJIMSYSA-N 437.522 1.362 30 10 IDEE C#CCN(CC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)C(=O)OC(C)(C)C 1627408082 UYYNCVPIXOVZQF-UHFFFAOYSA-N 429.521 1.270 30 10 IDEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1cscn1 1629301026 OJGAPIZDBNBHTJ-UONOGXRCSA-N 447.542 1.055 30 10 IDEE C#C[C@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CCOCC1 1629888858 DSASYNOIJPCGJK-NRFANRHFSA-N 444.557 1.614 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]4CCNC(=O)[C@H]43)CC2)cc1 1633106306 JDDCPYQVUHHSAA-APWZRJJASA-N 430.530 1.086 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)n1 1635721215 HMYLZEDBVWIEQM-VGSWGCGISA-N 434.537 1.954 30 10 IDEE C#CC[C@@]1(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)CCCN1C(=O)OC(C)(C)C 1643794223 XTERKTJCMOHHNG-QFIPXVFZSA-N 439.520 1.814 30 10 IDEE O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125756 PNWAOAKMLDTFHZ-JDDHQFAOSA-N 425.272 1.029 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2ccc(OCCOC)c(Br)c2)nn1 1664570397 CROQYXAIJBMVSR-UHFFFAOYSA-N 431.312 1.730 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 1665969282 LWQDXLRLLOTHBP-LSDHHAIUSA-N 427.548 1.392 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1684226791 PGODDLGSKBTTGV-QFIPXVFZSA-N 433.560 1.601 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1689832131 XGAQVJJQFIFHGW-XAEMIUIASA-N 443.523 1.871 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)CCOC 1689847782 IBJCXWYTRFJMBZ-KRWDZBQOSA-N 437.548 1.618 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1689910422 GODUNYSFXUWHHZ-INIZCTEOSA-N 430.534 1.742 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689986651 UOFMWLGYLRTLDM-SFHVURJKSA-N 439.541 1.967 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1689987866 DLJFDSNFIOVWLZ-RTBURBONSA-N 435.594 1.019 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nnc(C(C)(C)C)s1 1690092330 DOIFJSHEXCLTJS-UHFFFAOYSA-N 431.566 1.797 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC(F)F)c2)CC1 1690110182 AZWMXWMHDREQEI-UHFFFAOYSA-N 433.463 1.216 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2ccco2)CC1 1690129446 XMSFCBSXLBPOCV-UHFFFAOYSA-N 439.545 1.412 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(F)F)CC1 1690136442 FJZLIRYDSZEABN-UHFFFAOYSA-N 445.474 1.937 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1690146649 SWHCOVSTUOKBIZ-NRFANRHFSA-N 444.624 1.799 30 10 IDEE C=C(Br)Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1690234745 MMFAWBHFWVIXRZ-KSSFIOAISA-N 442.358 1.942 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NCCC)C1 1690696914 LKAXRVZLNKJAAZ-OAHLLOKOSA-N 437.504 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690720566 MFNZNMRGESOQHN-UHFFFAOYSA-N 445.467 1.835 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1690782939 HNSLHXLOOKHPEI-WZONZLPQSA-N 435.532 1.600 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)[C@@H](C)C1 1690839954 ABQSAJZLBHLSHI-HNAYVOBHSA-N 435.532 1.788 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695476295 PWDZUKMFYQDJEE-OAHLLOKOSA-N 439.520 1.623 30 10 IDEE COCCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1697988262 ZAUNBYDYDBDUHN-HXUWFJFHSA-N 430.488 1.336 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C#N)C1 1698317262 JDQLRCXCVKYTTB-HNNXBMFYSA-N 430.490 1.359 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705503191 QQGVIYSHGMWGMH-FUHWJXTLSA-N 442.545 1.468 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705523020 QKPSGKKWPKZDSE-KRWDZBQOSA-N 433.520 1.304 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)CC2CC2)CC1 1705647421 DOEVHFFNYUQQQO-UHFFFAOYSA-N 447.605 1.726 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706145293 ZNBGXOQIOWCPJH-IAFNSTAXSA-N 443.508 1.034 30 10 IDEE CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCNS(C)(=O)=O 1706298626 GBCKWQOXCVFLJB-UHFFFAOYSA-N 432.550 1.870 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNS(=O)(=O)CC 1708478677 WQFZOHQFLDLSCC-CYBMUJFWSA-N 433.538 1.266 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1709829849 DZLDZQSQSJHYQQ-CVEARBPZSA-N 446.577 1.991 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1722369714 FAOAPADUZHSZIT-ZWKOTPCHSA-N 449.577 1.063 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722491601 BGZHIRPNXWINOW-QRVBRYPASA-N 441.598 1.445 30 10 IDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722597453 MVYLLBFWZWVTLU-QGZVFWFLSA-N 444.561 1.919 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)C 1722633816 YADNAMGCOYMRQZ-UHFFFAOYSA-N 433.582 1.941 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722702943 ROVVDOWVXUDIGX-NHCDEPBKSA-N 447.580 1.883 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1723777509 FQFZDWUXNQSWET-AUUYWEPGSA-N 437.497 1.284 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cc1 1724247513 BMPXXKSKFAYMFW-HZPDHXFCSA-N 447.565 1.223 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3CC(F)(F)F)CC2)c1C#N 1725865700 BAEGNVDAWJQWEQ-CQSZACIVSA-N 438.458 1.975 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@H]1COCCO1 1727003746 NPTHCXUVJRJDRT-FUHWJXTLSA-N 442.568 1.837 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H](C)C1 1730763116 CNHQHWXWRDSION-IXDOHACOSA-N 425.555 1.362 30 10 IDEE COCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1730783228 LORUILSAARJHKG-OSCRUYLVSA-N 431.541 1.085 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOCC1 1740637555 FDMNMKKQWQUAPH-UHFFFAOYSA-N 448.575 1.247 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1740638560 NXFPRVNRHRQTAI-IIBYNOLFSA-N 430.505 1.300 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1740656600 LUYYOVYRWBEILW-GOSISDBHSA-N 436.541 1.693 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCCOC)C1 1740736136 FSCUATBQHMOCMS-CQSZACIVSA-N 430.347 1.957 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740794690 GKOYYPGDDXJPKM-QGZVFWFLSA-N 441.598 1.625 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1740898950 BCFRQWGUJGLEGU-HNAYVOBHSA-N 427.571 1.174 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1740899302 KQFQIDNTNBFVIS-FXAWDEMLSA-N 441.598 1.565 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1740941212 FJQJZEVCDFLFTG-HOTGVXAUSA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 1740954620 PUABERSLYDUDRQ-AWEZNQCLSA-N 447.337 1.630 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740956715 YSUFFAXKDZQZDL-HNNXBMFYSA-N 427.484 1.427 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)CC1 1740969153 UVZNPCVOJUJHES-UHFFFAOYSA-N 447.499 1.865 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1741727536 LBXOGMZDLNNTII-FCHUYYIVSA-N 430.553 1.975 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCN(C(C)=O)CC1 1748790837 NLILCDYZTXVACZ-UHFFFAOYSA-N 436.564 1.780 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748803432 YPUUBPOTXDQPMA-MSOLQXFVSA-N 438.594 1.646 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1748817716 OVSJLOCBXZXQSL-ROUUACIJSA-N 432.521 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCS1(=O)=O 1748851230 AEKLGQOUHYHSSA-FQEVSTJZSA-N 426.542 1.940 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1748857738 DEUCFRUTKASNAV-LJQANCHMSA-N 435.484 1.146 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748875438 PIQDVKXZQWIZSG-UHFFFAOYSA-N 440.548 1.844 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1749000839 BFYWFDXAAOLESE-CZYKHXBRSA-N 444.624 1.878 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C1CC1 1749067429 TVLAYVVLAOJRHL-ABSDTBQOSA-N 437.566 1.028 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749119231 PCOFRRITHYKDRM-BDXSIMOUSA-N 442.582 1.607 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749640331 PGBKCYPNYCSLBW-UHFFFAOYSA-N 445.549 1.030 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nnn(C)n2)C1 1749697687 MMKCSLGVQQHRBK-WMLDXEAASA-N 428.472 1.910 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749721404 IVBRQWTXNWMNNJ-SAZZCXPWSA-N 428.493 1.437 30 10 IDEE CC(C)(C)N1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750482552 MOEFBIXPYKTVML-ZZEZOPTASA-N 427.553 1.993 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1760184711 KWSPIWKYNUEDGM-AWEZNQCLSA-N 442.463 1.993 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1760188405 KNTYBTITWHANOS-INIZCTEOSA-N 447.952 1.460 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1760189868 QRBQSBRMTDXZSW-JXFKEZNVSA-N 447.586 1.143 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[C@@H]1COCCO1 1760243501 MOQOITHUEQUAER-HXUWFJFHSA-N 441.507 1.985 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760265295 VWUIIGBNRFZLNN-GOSISDBHSA-N 428.581 1.800 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1760272820 WQBJCZNNSQLOLH-UHFFFAOYSA-N 441.561 1.741 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1760512316 YOVVJKAUULRPFG-UHFFFAOYSA-N 443.596 1.405 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760559772 SVSRWKADJJIIHZ-CQSZACIVSA-N 436.563 1.468 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1760688259 DTTHBCZTKBILFR-HUUCEWRRSA-N 443.537 1.113 30 10 IDEE CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763041815 MDASNWDYNHMLOP-XOMICKMZSA-N 443.552 1.356 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1767504225 ZOZBAGQZTJLSLR-KXBFYZLASA-N 445.321 1.915 30 10 IDEE CN1C[C@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)C1=O 1767507515 ILXJPWUQRYTTHW-OAQYLSRUSA-N 441.561 1.878 30 10 IDEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1771152588 IEAOUETZOOWPQP-APWZRJJASA-N 438.532 1.709 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)C1 1771529351 MIMKWJUQWGPCQH-FZMZJTMJSA-N 441.476 1.918 30 10 IDEE COCCn1c(C(=O)N2CC(Oc3cccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1849798910 IFGVGRKSBXSLOK-UHFFFAOYSA-N 444.451 1.466 30 10 IDEE C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CC[C@@H](N2CCNC(=O)C2)C1 1852964445 MPZNFBHBHZEAKL-YLJYHZDGSA-N 442.523 1.824 30 10 IDEE CN(C[C@@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 1853949296 XIHBKRYIGPNCIF-HOTGVXAUSA-N 437.949 1.904 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@H](NC(=O)c4cccc(C#N)c4)C3)ccc21 1858327830 UWESTVBAKGSAJU-HNNXBMFYSA-N 426.454 1.196 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)C1 1891381502 GNJDVRLMDWKHAW-HNNXBMFYSA-N 441.513 1.149 30 10 IDEE CN(Cc1sccc1C#CCCO)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2156989134 OZFSLCHECLYSHP-UHFFFAOYSA-N 446.550 1.930 30 10 IDEE O=C(C1=CCS(=O)(=O)CC1)[C@H](O)c1ncc(Br)cc1Br 2232541550 FJIKYTLOHPWNJR-GFCCVEGCSA-N 425.098 1.954 30 10 IDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244284169 WYEQJCHCROEGGC-CQSZACIVSA-N 431.530 1.210 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247919003 OFHFWLKKBLRHLF-ZIAGYGMSSA-N 438.355 1.757 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255643739 XAQDEROUPHAZJR-QWRGUYRKSA-N 447.288 1.971 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2255811620 SEFKEFDTJSKGNC-GHMZBOCLSA-N 447.288 1.971 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255825269 WMWREGOYOZETOG-OKILXGFUSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255869164 XSSYGQCSCSSIHP-UHFFFAOYSA-N 434.342 1.945 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](O)COCc2ccccc2)n1 2267148395 ZDSZXQLTLBDRCN-SFHVURJKSA-N 443.353 1.852 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 2267269597 GIIZACSERQUMTD-GOSISDBHSA-N 439.369 1.899 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 2267497354 LFXBZRYVHXZIMO-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267505565 KEIFSQPSNGPAEW-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269028763 AMDMHNNQLUDAKG-KRWDZBQOSA-N 442.325 1.034 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)CC(C)C)NC(=O)OCc1ccccc1 2270506002 NXWGEUKYRHAGKD-KRWDZBQOSA-N 425.507 1.656 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2272637754 YSHDMJASHPKWHC-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CCCC3(C2)OCCO3)OC1(C)C 2282497432 PQNSSKCYHHGDSQ-UHFFFAOYSA-N 427.303 1.653 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)[C@H](C)C1CC1)NC(=O)OCc1ccccc1 2286046014 RZUNNUKXABGJIW-QAPCUYQASA-N 437.518 1.798 30 10 IDEE C=CC1(N[C@]2(C(=O)O)COCCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2306597633 LJGRCXVRVDRPHZ-NRFANRHFSA-N 441.525 1.842 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2315531718 FLJIXMOERHFTQO-KBPBESRZSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CC(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(N)=O)C1 2322265103 FNSSWEKIYVGEOC-UHFFFAOYSA-N 437.277 1.374 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2322306228 GXVZMIPNMFLQRV-CQSZACIVSA-N 437.321 1.990 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2327387059 RNMCTTMCTRDKQQ-UHFFFAOYSA-N 432.290 1.131 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 57525440 RIVHHUODLHAXSX-UHFFFAOYSA-N 426.502 1.847 30 10 IDEE COc1ccc(-c2nc(SC)nc(N[C@@H](CCC(N)=O)C(=O)O)c2C#N)cc1OC 62048747 QFYOCZQLJKYYAG-LBPRGKRZSA-N 431.474 1.885 30 10 IDEE Cn1c(N2CCC[C@H]2c2ccc(I)cc2)c(C#N)c(=O)n(C)c1=O 301437365 KZIOXQBLIBSIDM-AWEZNQCLSA-N 436.253 1.902 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)cc1C#N 427755941 VRTHOTKZTBPYEH-UHFFFAOYSA-N 426.502 1.814 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@](O)(C(F)(F)F)C2)CC1 471194980 QHKHSPSETYTYGX-GOSISDBHSA-N 439.394 1.454 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC3CCN(C(=O)c4ccccc4)CC3)CC2)c1C#N 472055313 VGCIUKDDWFVHIZ-UHFFFAOYSA-N 449.559 1.984 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccnc1C#N 477052331 YVJHZMYEKDAVPQ-UHFFFAOYSA-N 432.458 1.000 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 477314139 MQMTXVZBUCKSHF-GOSISDBHSA-N 441.528 1.662 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 477317251 VRYUWXXQGCYZEU-QGZVFWFLSA-N 429.517 1.564 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 508470256 BYEKESRBOKQMPP-MRXNPFEDSA-N 446.577 1.607 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 508861275 BXUURBSSOHFJFK-SFHVURJKSA-N 436.534 1.861 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 508937076 BJBPIWZGXMJPAF-SFHVURJKSA-N 447.923 1.933 30 10 IDEE C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 510312647 AQPKYCJJSSBZGE-LXZJYRNTSA-N 430.574 1.805 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 513086940 XILZNMYDZXLNEM-HTAPYJJXSA-N 427.526 1.778 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@@H]1CCCO1 514474979 CPKUXJMSDJEDNJ-SFHVURJKSA-N 448.548 1.665 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 523860814 IETICXFTFNBBGX-INIZCTEOSA-N 440.521 1.936 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 532900763 QTTNOJUOYGNANJ-SFHVURJKSA-N 445.589 1.496 30 10 IDEE Cc1c(NC(=O)[C@@H](C)N2CCN(c3cccc(C#N)n3)CC2)c(=O)n(-c2ccccc2)n1C 546213547 HRSKEOBGPCSPAI-GOSISDBHSA-N 445.527 1.900 30 10 IDEE CS(=O)(=O)c1ccc(OCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546926524 ZBNREPSUTJMWKN-UHFFFAOYSA-N 429.502 1.267 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 555250860 UGCFVVLBKMUKTF-HXUWFJFHSA-N 446.596 1.855 30 10 IDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@H]1CCCCO1 555483709 CNAYOHWFNHWTLN-GOSISDBHSA-N 430.534 1.538 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 559637842 URJRSCIXKBJCKC-UHFFFAOYSA-N 430.305 1.447 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](CO)c3cccnc3)CC2)cc1 565794527 GVTLRCSBGNZGNR-LJQANCHMSA-N 428.514 1.246 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 685555153 SLRWWLPVVPYPQU-DZGCQCFKSA-N 431.566 1.823 30 10 IDEE NC(=S)NN=Cc1cc(I)cc(I)c1O 713343478 ZEKYSJFSZLLFHZ-UHFFFAOYSA-N 447.039 1.769 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1F 728583210 WDGCBIRHQANITG-UHFFFAOYSA-N 434.474 1.153 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 732153505 IFXPUKIKKDCLKN-FGLUDEAJSA-N 433.468 1.065 30 10 IDEE Cc1nc(=NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)n(-c2ccc(C#N)cc2)[nH]1 741736374 RTRRXIMDIFQPGP-UHFFFAOYSA-N 428.449 1.511 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 754872435 BGAMEYFOQXCIJB-PKOBYXMFSA-N 434.899 1.922 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)Nc1ccc(C#N)cc1 755185711 IZNSHGFJUIRECD-INIZCTEOSA-N 430.461 1.556 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 758157304 XVKSVLMVWDZVEE-RTBURBONSA-N 434.581 1.744 30 10 IDEE Cn1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCCO3)n1 765543723 NZKHVXWJIIIADD-GOSISDBHSA-N 441.513 1.992 30 10 IDEE O=C1N=C(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)NC1=O 765591481 NORKQSIRFCAPCH-UHFFFAOYSA-N 426.392 1.582 30 10 IDEE COc1cc(C#N)ccc1COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 766864268 RCIDCMGNEYLTHH-FOIQADDNSA-N 432.498 1.955 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)cc1C#N 768106221 HMPNNCAUFKUQLA-UHFFFAOYSA-N 436.468 1.603 30 10 IDEE N#C[C@@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)C(=O)N1CCS(=O)(=O)CC1 780365447 MNGPEMUVSLWPGM-NSHDSACASA-N 425.438 1.668 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 809894154 ZJFZVTNPJRVSRZ-RBUKOAKNSA-N 431.562 1.222 30 10 IDEE C#CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)CC1 1143054545 YHDVVKHLBMJHBF-KZIRBZLESA-N 438.571 1.252 30 10 IDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1 1170622608 AVJLFQBLQRXOFW-UHFFFAOYSA-N 426.502 1.824 30 10 IDEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1180230372 HWZZEIZBLJHGLA-IBGZPJMESA-N 431.558 1.622 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)OC)no1 1194802656 QCTYZHBYEXWDAN-UHFFFAOYSA-N 427.479 1.485 30 10 IDEE COc1cc(CN2CCOC[C@@H]2CNS(C)(=O)=O)ccc1OCc1cccc(C#N)c1 1196639197 MHABZGWXPWGEDQ-FQEVSTJZSA-N 445.541 1.896 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCOc2ccc3ccccc3c2)CC1 1223805626 LYNLWRRGFNAMCG-UHFFFAOYSA-N 430.530 1.404 30 10 IDEE CCc1ccc([C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N(CC)CC)cc1 1229300717 AVDGRPMDMJEECI-IBGZPJMESA-N 426.521 1.765 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1272409137 RXHAEENHUMJLSY-UHFFFAOYSA-N 435.440 1.135 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCOCC1 1286370579 OEMATJMUSZXSGG-INIZCTEOSA-N 431.566 1.028 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286389926 SYLKCTOJTHZNOA-SJLPKXTDSA-N 445.520 1.238 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCc1ccc(S(C)(=O)=O)cc1 1286411379 RNMJVGHRXFWLGD-UHFFFAOYSA-N 433.537 1.983 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1286448316 RWEFJLSQVSOKEK-SFHVURJKSA-N 435.525 1.566 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1286553329 DDQYLXAYBXCYNZ-SQNIBIBYSA-N 439.582 1.583 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286608124 YBYOSXIOGFRKBB-IBGZPJMESA-N 442.568 1.854 30 10 IDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286623133 OZVCGSNOLQDADZ-UHFFFAOYSA-N 433.900 1.816 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CC1 1286662862 AXDNGMUPAYWFIY-GOSISDBHSA-N 435.594 1.985 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)CC)C1CC1 1286734801 WPETUKYEDRJVSN-UHFFFAOYSA-N 446.577 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](SC)C1 1286824238 XOYODWNCDSIZFK-INIZCTEOSA-N 441.623 1.723 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CCO1 1286940497 FDAIWCKTESNHMO-MSOLQXFVSA-N 446.458 1.582 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1287262800 YZEPXLQYCRYTFZ-MYDZZUQKSA-N 427.509 1.238 30 10 IDEE CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1294850320 QCFMWHCVGYITRK-UHFFFAOYSA-N 448.535 1.188 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1296973916 YXKSVTWJIOWWMZ-ROUUACIJSA-N 437.504 1.810 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1299552856 MJRJXBCOPRYJCL-KBXCAEBGSA-N 437.504 1.618 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN=S1(=O)CCCC1 1300100538 GJSJLXRDLXVULV-INIZCTEOSA-N 440.591 1.518 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300423027 FTAJDCSAKDVDGJ-SFHVURJKSA-N 427.505 1.620 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1300430086 HANANBSSPSGPMN-HUUCEWRRSA-N 440.570 1.357 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1300465045 JXAFLFQJXDIWAU-HZPDHXFCSA-N 445.536 1.896 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1300488742 VPDVQHCPTZGLCJ-GOSISDBHSA-N 437.529 1.308 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1300557835 YRYUDDGZXNJFOZ-SFHVURJKSA-N 434.610 1.473 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCOCC2(C)C)CC1 1300682720 PSBJUULVXJJUHS-UHFFFAOYSA-N 445.612 1.063 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1300872632 BUQOHHJYEOERLJ-UFYCRDLUSA-N 436.516 1.749 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1301241897 YWFMRHPMPBIDTD-SFHVURJKSA-N 447.561 1.656 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(OC)c2)CC1 1301520748 NQRDOKQQOSMZIP-LJQANCHMSA-N 426.521 1.767 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCN(C)C2)C1 1301567518 XQWBDJVFWXCFJA-REWPJTCUSA-N 443.548 1.714 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CCO1 1301902343 HLFUNVHSCMORDC-HXUWFJFHSA-N 434.504 1.248 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1302502650 JXZKNLONTHJERT-XZOQPEGZSA-N 438.532 1.852 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3c(O)nc4cccnc43)CC2)cc1 1303537269 CJCZSMIZYPITGU-UHFFFAOYSA-N 439.497 1.526 30 10 IDEE CN(C)c1cc(C#N)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 1304359612 JXTDXDUBJFTSJM-MSOLQXFVSA-N 448.545 1.483 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1306646594 MAKAVEJRPAEXTA-XOMICKMZSA-N 437.504 1.872 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1314631155 DFMJJOOIMOIMAR-MSOLQXFVSA-N 437.504 1.620 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314810708 UTFKBHILIIDTSU-VFAFWLKOSA-N 430.509 1.171 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC2CCN(S(C)(=O)=O)CC2)cc1 1354105571 YPQLMFMFDVYVHP-UHFFFAOYSA-N 429.564 1.493 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCOCCS(C)(=O)=O 1358940818 NHUGKDXMGDCFLS-UHFFFAOYSA-N 441.351 1.838 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1359032790 CRSFCYZHNRUMOL-UHFFFAOYSA-N 443.573 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cnccc2OC)CC1 1359043640 BWZVZIKTOPKBEW-UHFFFAOYSA-N 432.488 1.153 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1359065007 FYWCBEPSJIJWSJ-OAQYLSRUSA-N 443.577 1.675 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359135662 KVAHBTHEPUPXMO-UHFFFAOYSA-N 444.580 1.832 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC(C)C)CC1 1359169339 DBBBPXUYLFNRJS-IRXDYDNUSA-N 427.571 1.486 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1359215886 LLUNJAUYNLQKOK-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359291435 PXUWOTSAEOFXBU-ICSRJNTNSA-N 429.569 1.861 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@H]2OC)C1 1359327005 PEIDFTOOCBKDOH-IVDHNXQLSA-N 436.553 1.835 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359331753 HIMRWOOMMYMODS-MRXNPFEDSA-N 430.596 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCOC1 1359333452 YNMCQULIWUNOCB-LPHOPBHVSA-N 448.545 1.864 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1=O 1360017427 FMOHUIIHIZWXDA-HSZRJFAPSA-N 437.548 1.188 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCOCC2)CCOC1 1360329704 BZKOSSCUIXSHJA-JOCHJYFZSA-N 433.553 1.990 30 10 IDEE COc1cc(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1O 1454103816 MSHGLUIJPIAPFA-CQSZACIVSA-N 447.513 1.697 30 10 IDEE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1464742025 CTNKOJVDJUKZRO-LJQANCHMSA-N 436.516 1.161 30 10 IDEE C[C@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1470003198 DCFAVKCBFGXGQB-XTDOFWJNSA-N 426.539 1.354 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1 1472319356 UQLABXOKFFUYLQ-NDEPHWFRSA-N 439.603 1.910 30 10 IDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1503930617 MAODENVYWKCNEP-KBXCAEBGSA-N 437.504 1.618 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(-c4ccccc4)n3CCOCCCO)CC2)c1 1505319918 OMVGSYTYLBLORU-UHFFFAOYSA-N 433.516 1.937 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(=O)NCC)CCC1 1507652067 XCRBBUAPAIVZBQ-UHFFFAOYSA-N 429.528 1.896 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CN(C)C1=O 1507703247 RXTUCIZFFDAPIG-QHCPKHFHSA-N 438.532 1.712 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ncn(-c2ccccc2)n1 1507711664 GRBRGKJPHYQHSH-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1507847587 AKZQXPJHMNUWHX-STZQEDGTSA-N 436.553 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1508082706 WLBBVOJJXXIHSK-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCS(=O)(=O)CC2)C1 1508111081 CNOFMRPKZBWRAZ-MRXNPFEDSA-N 435.550 1.005 30 10 IDEE Cn1cc(I)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1515681298 RZLAWSVRACZQGP-JTQLQIEISA-N 445.261 1.610 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC2CCOCC2)CCOC1 1516181233 GYSSHEGYSGBPDC-NHCUHLMSSA-N 437.516 1.958 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1518636820 DINBEBPNHPTTDK-LEWJYISDSA-N 438.532 1.927 30 10 IDEE Cn1nc(C(F)(F)F)cc1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1534411339 HFBJHWCJHQXJAY-AWEZNQCLSA-N 434.378 1.832 30 10 IDEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539086301 DPNUARIBTJCUBC-FQEVSTJZSA-N 439.582 1.204 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1539126500 WNXHNHJHOFJAOF-INIZCTEOSA-N 431.518 1.149 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539215809 JKKCOILOXJMPNR-NQIIRXRSSA-N 432.521 1.829 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCO)CC1 1539446381 BVSMJKJWSMTQKA-UHFFFAOYSA-N 438.580 1.370 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2nccs2)CC1 1539477536 PSKKTHSPXQOJCS-OAHLLOKOSA-N 436.545 1.961 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539643813 XXOBTXPNIVCENU-JXFKEZNVSA-N 429.525 1.383 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(COC)n2)CC1 1539828658 NFWREVSWENTFGO-CYBMUJFWSA-N 426.568 1.696 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)C(=O)C1 1540867254 PQVDKZZQAZTPGK-UHFFFAOYSA-N 449.515 1.091 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1540869751 VOHWMPRNTKXNKD-YVEFUNNKSA-N 430.459 1.933 30 10 IDEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnnn2C)cc1OC 1547949725 HZRYYHPGHLVIBH-HXUWFJFHSA-N 426.456 1.971 30 10 IDEE CCCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NCCOC)C1 1548367993 DFQQYJFXETYEMW-KRWDZBQOSA-N 441.454 1.950 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1555816358 IBLFLCZBBBGEDL-LJQANCHMSA-N 443.577 1.431 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)CC2)c1C#N 1556842299 FCZZZFWSYFEAPJ-INIZCTEOSA-N 434.566 1.523 30 10 IDEE N#Cc1cn(CCNC(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)c(=O)nc1O 1557603730 ZZPNJIGZRIWNKV-UHFFFAOYSA-N 442.838 1.717 30 10 IDEE CC1(C)C(=O)N[C@H]1C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1559861234 CUUTUMCREBDMDY-PXNSSMCTSA-N 429.590 1.694 30 10 IDEE C[C@@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561555145 ASOOEFLRFLCJJD-DGCLKSJQSA-N 432.315 1.944 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)O1 1564546873 BFWCGMCWNGXWPV-XSDIEEQYSA-N 442.516 1.658 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCC34CCOCC4)CC2)cc1 1565229648 MBNYIFHHXFLFOO-GOSISDBHSA-N 432.546 1.781 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C3CCCC3)cc2C1=O 1570241754 JPMAKQPNKRRBAQ-SFHVURJKSA-N 448.545 1.153 30 10 IDEE COc1c(F)cc(CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1S(N)(=O)=O 1570831690 SZQWJEOYBXDSPI-QGZVFWFLSA-N 446.504 1.633 30 10 IDEE COc1cc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1OCC(F)(F)F 1585133068 XVQRVVONGONFER-KSSFIOAISA-N 446.447 1.966 30 10 IDEE N#C[C@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccc(OC(F)(F)F)cc1 1587308655 IBLZQEZRIWFHDC-LBPRGKRZSA-N 439.375 1.875 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1587921632 DCLVGURKWWKCAE-HXUWFJFHSA-N 429.912 1.938 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccccc2)CC1 1588742785 UYFCNRMWFCDKTF-ZWKOTPCHSA-N 430.578 1.447 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1588768332 FDKRBBDNAJNYIM-QHCPKHFHSA-N 447.587 1.929 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@@H](C)OC)n2)CC1 1588806313 MNTQYCDRPNRCQY-ZBFHGGJFSA-N 429.550 1.197 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1588857542 PURPOUMZPNXBQG-UHFFFAOYSA-N 433.560 1.878 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1589097541 SFHZPINRGFQRPS-UHFFFAOYSA-N 440.620 1.082 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1594962328 KFYZQIBVRAPMCP-GOSISDBHSA-N 440.614 1.498 30 10 IDEE CC1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1611787217 OUXQAXAAJKXZRL-INIZCTEOSA-N 434.522 1.503 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)cc1C 1612108957 XUBWUVZKWRAXFL-SFHVURJKSA-N 428.493 1.275 30 10 IDEE Cc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)s1 1612382460 BIATUOHANRJURO-UHFFFAOYSA-N 445.574 1.924 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@]3(C)CN(C)C3=O)CC2)c1C#N 1612471016 YDLISJVJTYVTKF-JOCHJYFZSA-N 439.568 1.195 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1617241060 JKNJVQWZRJEDGT-MONBJTKQSA-N 441.532 1.988 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1620066817 YKHDENPJCOLRKM-QGZVFWFLSA-N 433.534 1.351 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC[C@H]2CCOC2)cc1 1620350386 FHUVPXALZBERTP-GOSISDBHSA-N 429.546 1.829 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 1635668375 GAGAERGICAMBSY-HZPDHXFCSA-N 425.510 1.694 30 10 IDEE COC(=O)C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1cccc(I)c1 1635938665 PLFGXYFCYYPSNJ-GFCCVEGCSA-N 439.213 1.175 30 10 IDEE CCOC(=O)C1=CC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1640476659 LUENTBGMDAOLRF-RDJZCZTQSA-N 433.530 1.908 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 1640630480 YGOQYKXELCSRDV-RHSMWYFYSA-N 448.545 1.741 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)C(=O)OCC 1642682838 HYNFXIMELGXTSF-CWRNSKLLSA-N 432.926 1.213 30 10 IDEE N#Cc1cccc([C@@H](NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(F)(F)F)c1 1644267394 FVVYLESOHGGTBC-GOSISDBHSA-N 440.447 1.758 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)OC)c1cc[nH]n1 1651014495 CZJRCZUXDPLLAY-FQEVSTJZSA-N 434.424 1.123 30 10 IDEE N#Cc1cccc2c1CCCN2CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1654124240 HQGYQPOFVIWQJG-UHFFFAOYSA-N 438.553 1.985 30 10 IDEE C#CC1(O)CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)CC1 1655172898 ROJLOMFXMPIHBP-UHFFFAOYSA-N 432.546 1.037 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@H](C)COC 1659398568 QCEWGCAINSOKCM-LJQANCHMSA-N 449.617 1.921 30 10 IDEE N#C[C@]12CN(C(=O)NCc3nc(C(F)(F)F)n4c3CCCC4)C[C@H]1CS(=O)(=O)C2 1687355014 WTVAEKLEJMFPHH-MEDUHNTESA-N 431.440 1.318 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(S(C)(=O)=O)cc1 1689944039 JBCVTRXBTQVXDT-UHFFFAOYSA-N 431.562 1.912 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1689988475 PUTGYDGVFNISQA-OLRZCDJHSA-N 435.575 1.044 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1690102299 HWDJURUZQQLHOG-KNQAVFIVSA-N 449.621 1.814 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690154764 YTHZYZCJNSNWDK-ZWKOTPCHSA-N 432.594 1.037 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1690648162 KAGFHUUCYBNQQH-UHFFFAOYSA-N 429.569 1.157 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690971535 SJSBZSSUNAHCII-SFHVURJKSA-N 436.476 1.612 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1692637750 QGTLPLXBSSJFIZ-QVKFZJNVSA-N 428.493 1.499 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1695500207 ZVBNDEFIMFUYIJ-INIZCTEOSA-N 428.928 1.648 30 10 IDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1697224611 HBAFWSPEQFOHGQ-PBHICJAKSA-N 428.534 1.680 30 10 IDEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1697634778 AFIZNGXDQRVLGT-SFHVURJKSA-N 438.513 1.892 30 10 IDEE COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1698188102 VSSAQQZXACXQKO-UHFFFAOYSA-N 433.472 1.221 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCCN1CCOCC1 1705502506 GRSSIHYTBHCWFS-QGZVFWFLSA-N 430.578 1.840 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705571366 YLYOLUINBYLWRZ-HNNXBMFYSA-N 438.500 1.810 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1705632928 FKBQKRLBZBWDGM-SIKLNZKXSA-N 432.638 1.755 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCOC)CC1 1705634120 JYHFAVRTIBDEBH-QHCPKHFHSA-N 443.548 1.505 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1705672637 DOIBAHLZSFQQPA-DYESRHJHSA-N 442.545 1.111 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705729060 JUICBGSOTQUOJU-GOSISDBHSA-N 432.569 1.849 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@H]1C 1705877615 BOSULOAIUCJAJI-JTSKRJEESA-N 429.521 1.882 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)N(C)C 1706782499 BHCGWZGHIXHCIJ-MRXNPFEDSA-N 445.593 1.627 30 10 IDEE CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1708326208 WKAWFSLEYIFFJT-AVRDEDQJSA-N 425.537 1.926 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)C1 1711339130 BANNMDCWIIOPNT-HXUWFJFHSA-N 439.564 1.747 30 10 IDEE N#CC1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)CC1 1712882504 CKDUEWRPKDROGU-UHFFFAOYSA-N 428.468 1.595 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1722509002 LINIWZMHEGVRQN-YLJYHZDGSA-N 446.577 1.327 30 10 IDEE C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722530624 GNTWFAREDHOTPJ-KRWDZBQOSA-N 444.923 1.338 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1722667483 VKTGISFHOXOTRL-PMACEKPBSA-N 445.612 1.942 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722729242 YVFQTTWQFDMZHM-IRXDYDNUSA-N 439.582 1.076 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722731181 GAWBCPSWSQGLOJ-HXUWFJFHSA-N 438.525 1.652 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1729700016 OLAJMGNALVHVOY-HSZRJFAPSA-N 435.532 1.790 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1740553673 TVXGFFNPPZBUMT-XHSDSOJGSA-N 441.623 1.601 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCSCC1 1740601962 BHKSZOJWCXDBLL-UHFFFAOYSA-N 448.618 1.314 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1740610555 FIIIWYRNJWYOMN-MRXNPFEDSA-N 425.461 1.007 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740705595 JAEOBMYWIDIWBM-FQEVSTJZSA-N 428.581 1.478 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740763241 ZUPHRTAGNJCSPY-FUHWJXTLSA-N 430.553 1.978 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCCS(C)(=O)=O 1740763609 NOOTVJPAMYJQGC-VQIMIIECSA-N 439.582 1.253 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1740843695 NTMOPNLDIUCIFH-UHFFFAOYSA-N 426.525 1.989 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1 1740963410 JXJJHMBMMNLVSS-FQEVSTJZSA-N 427.534 1.702 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1748666625 FFAWKZTUOWSDSY-ICSRJNTNSA-N 436.564 1.294 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1748717757 HRRADCPFUOJCLY-RTBURBONSA-N 425.489 1.545 30 10 IDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748783774 SHQYJDBKIRPPCA-MRXNPFEDSA-N 426.546 1.788 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NCc2ccco2)CC1 1749009397 QSSRPHJYVJIRMO-UHFFFAOYSA-N 435.488 1.148 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760137469 KLUJBXGSWZUIAJ-QZTJIDSGSA-N 436.578 1.758 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)cc1 1760178943 HIJPOVXYPMOLAD-FPOVZHCZSA-N 425.533 1.956 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760201512 UKWYCYLZCZZEJE-UHFFFAOYSA-N 440.555 1.998 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCCC2=O)CC1 1760251821 IOBHHKYUBUWAJH-UHFFFAOYSA-N 441.580 1.062 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCCC2=O)CC1 1760256729 JNMMTADPNWPYGU-HSZRJFAPSA-N 444.580 1.088 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760264373 KSUNJODHTVYWKT-LEWJYISDSA-N 436.516 1.024 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1760287496 UMWHSAAOWHEJOE-HSZRJFAPSA-N 437.548 1.688 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCCC(=O)NC 1760517661 UQVQHLLDCFPQQX-UHFFFAOYSA-N 449.353 1.972 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760520478 OYABSEJWRMKMSA-IBGZPJMESA-N 440.596 1.191 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760551975 YCEBVPOOCFXIHK-CQSZACIVSA-N 428.536 1.071 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1761284038 OVGLOAZTDKOCCX-ZYSHUDEJSA-N 441.529 1.195 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)CC1 1767215771 QITNROSNFZSXPB-UHFFFAOYSA-N 427.578 1.828 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1772566640 OYATZUUQXYVFGO-STQMWFEESA-N 430.431 1.079 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 1853145286 XGYXDQIRWHIBNF-NHCUHLMSSA-N 437.544 1.727 30 10 IDEE NC(=NOCCC(=O)N1CCN(Cc2nnc3n2CCCC3)CC1)c1ccc(Cl)cc1 1853589109 JXGRPZPNTOBLOI-UHFFFAOYSA-N 445.955 1.639 30 10 IDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3csc(-n4cccc4)n3)C(=O)C2)C1 1854948060 UXWURLGQJVYAFS-DLBZAZTESA-N 426.546 1.985 30 10 IDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CC1=O 1856127650 CYWABKBIWICLJY-CQSZACIVSA-N 441.456 1.977 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)CCOc1ccccc1 1857139143 SVDCMSLUBVBSSY-INIZCTEOSA-N 427.482 1.640 30 10 IDEE C=CCNC(=O)[C@H](CCC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593494 ITYPGRXXQJFREY-ROUUACIJSA-N 431.533 1.682 30 10 IDEE COc1ccc(-c2cc(C(=O)N[C@H](CO)C(=O)Nc3cccc(C#N)c3)nc(O)n2)cc1 1866622034 JAXXXJDPUZCJQS-LJQANCHMSA-N 433.424 1.459 30 10 IDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870385175 LKWHCFOEHDIFBP-IAGOWNOFSA-N 447.557 1.718 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1ccccn1 1870583476 ICVDYLBWFOVMJH-UHFFFAOYSA-N 438.528 1.703 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNC(=O)OCc2ccccc2)n1C 1900396130 MWCQBPITXJQVKV-UHFFFAOYSA-N 442.325 1.684 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2081007892 CPFRIXZBHXRAFQ-XHSDSOJGSA-N 438.330 1.118 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C 2250057428 LXTRWGLFHJGPFC-SZNDQCEHSA-N 437.493 1.580 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 2255612163 MZHRYCVPLIYYBS-KRWDZBQOSA-N 425.342 1.509 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C12CC2 2255614351 GJKAFGAYGNGILT-CQSZACIVSA-N 432.330 1.981 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2C[C@@H]21 2255627794 YPFCJPVODWGHMB-YDHLFZDLSA-N 432.330 1.837 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255654018 QTCMQCRFMWQSTD-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255782827 HSZXJRFTTWIXRM-CQSZACIVSA-N 438.305 1.740 30 10 IDEE C[C@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255809748 CMWHOMONAVGRCS-CMPLNLGQSA-N 447.288 1.971 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CCOCc2ccccc2)CC1 2255875966 HPTRNATZGQFUCG-UHFFFAOYSA-N 426.326 1.984 30 10 IDEE C=C(CN(C)C(=O)[C@@H]1[C@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256668458 AUBVSMIAJKMRQE-HRCADAONSA-N 440.346 1.364 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267163665 IQPHJFWQICOPMI-BPUTZDHNSA-N 444.341 1.761 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267172478 BCNMVZXHHKSWKJ-HOCLYGCPSA-N 444.341 1.857 30 10 IDEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267223644 HHNXSQZICFRLLO-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCCN(Cc2ccccc2)C1 2267273662 PXNRQPVQNZJFGS-GOSISDBHSA-N 439.369 1.899 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@@H]1NC(=O)C(F)(F)F 2267552221 QUHVTGNITNHDID-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267590782 STGFXERAHVLFFI-CABCVRRESA-N 444.341 2.000 30 10 IDEE CC1(C)OB(c2ccc(O)c(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2267807780 PSXFOVLQSTTYBL-IBGZPJMESA-N 442.243 1.975 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2268984125 MZQZPUAITFTBFO-MRXNPFEDSA-N 441.293 1.566 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2ncc(Br)cc2C#N)C1 2379814114 SHNSCOYMBZIXMX-AWEZNQCLSA-N 436.310 1.887 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)cc1 20292271 WWKQWKVJVZAOSH-AWQFTUOYSA-N 429.462 1.589 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccc(C)c3)n2CC)CC1 105265201 DAEDAIMPXRULSL-UHFFFAOYSA-N 442.589 1.812 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)N2CCOCC2)cc1 257195398 WAMSSCGLCPAKMT-FPOVZHCZSA-N 441.509 1.628 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)N(CCC#N)CCOC)C1 410160625 UWHGDNGHZNWICT-CQSZACIVSA-N 428.477 1.216 30 10 IDEE CSc1nc(O)c(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1C#N 439894573 DCPNENNNKBXZHH-RYUDHWBXSA-N 430.490 1.465 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(OCCCOC)C3)nnc12 478557012 IHJLQVJOFTWEGT-UHFFFAOYSA-N 443.529 1.586 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480532843 AKQAZZGJRHDUAD-UHFFFAOYSA-N 431.536 1.584 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 503625167 BKMYBDNHOOHMQM-UHFFFAOYSA-N 426.498 1.363 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 508825893 LSQFXWCDAFQALR-LJQANCHMSA-N 447.561 1.680 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 512169140 FJUBWZPSTKXABB-SFHVURJKSA-N 433.555 1.879 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)c1 533086024 XDGBRYCTVZPIRL-SFHVURJKSA-N 438.549 1.965 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 539250560 DTHUAOVERCPYPK-MSOLQXFVSA-N 445.530 1.802 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542217448 IXOAODWYGKBOGT-UHFFFAOYSA-N 439.566 1.739 30 10 IDEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 543183374 KWBDQCPQXTVZNR-SFHVURJKSA-N 444.469 1.953 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 547271029 YTYWDYXMCFIEID-UHFFFAOYSA-N 431.928 2.128 30 10 IDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CCN(CC(F)(F)F)CC1 558567136 RVIZEIUPPPUZRI-CYBMUJFWSA-N 432.468 1.616 30 10 IDEE COc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1C#N 572054480 VPQMSXVBUNADNT-UHFFFAOYSA-N 433.486 1.569 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)OCCOCCC)cc21 586357407 JYOLPBHJTHIMPD-INCQDFKNSA-N 437.514 1.888 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)cs1 590973455 SNQNNMVBVXGWAH-UHFFFAOYSA-N 440.525 1.929 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1-c1ccccc1C#N 604000400 WJLUYNJMFOYWDA-UHFFFAOYSA-N 438.871 1.812 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccccc1C#N 604001833 UYCRKCZWGYEPJJ-UHFFFAOYSA-N 448.504 1.328 30 10 IDEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccccc3)c2=O)c1 608827236 HTEMMIFJXVOEBT-UHFFFAOYSA-N 449.532 1.944 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cc1 609436173 HPLFCFBINNRXRQ-SFHVURJKSA-N 427.482 1.766 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCCO3)CCN2C1=O 619863220 HRYXOKNPBTXRBL-RBUKOAKNSA-N 449.515 1.859 30 10 IDEE C=CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 679492113 FTZJLXOAJMJZSF-UHFFFAOYSA-N 443.953 1.272 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1[C@H]1CCOc2ccccc21 742144219 ACBXXOXJPKGNTJ-SFHVURJKSA-N 433.489 1.656 30 10 IDEE O=C(O)COC1CN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C1 757551547 YDBQTLXDNVZUMM-UHFFFAOYSA-N 434.448 1.841 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 763936449 HKDAXJDIPGLNLW-CAPFRKAQSA-N 444.579 1.786 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c(C)o1 767956305 QKCGJWPNQHWYQU-UHFFFAOYSA-N 429.542 1.180 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774540848 HQNRASLOYKSWDC-UHFFFAOYSA-N 431.517 1.324 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2ncn(C)n2)cc1 780319654 YBIGEAQYCYETON-WBVHZDCISA-N 443.577 1.884 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)n1 788822864 HGQKUKBNMMTAEX-QHCPKHFHSA-N 437.500 1.649 30 10 IDEE COCCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 802441281 ZMVBRFJFTHHNAE-GOSISDBHSA-N 432.912 1.864 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CCC2)[C@@H](F)C1 819531802 JRPULTQUCUFFCG-BZSNNMDCSA-N 436.553 1.785 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 916179369 XPMNXHGYFPMZEF-MRXNPFEDSA-N 441.465 1.329 30 10 IDEE N#Cc1ccc2c(c1)N(C(=O)Cc1ccc(S(=O)(=O)N3CCCC3)s1)CC(=O)N2 1129494086 PQMIJOODQAIIFZ-UHFFFAOYSA-N 430.511 1.932 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCc3c(OCC(N)=O)cccc32)c1 1141208131 DEGHQUHGSZPQLI-UHFFFAOYSA-N 431.445 1.580 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN(CC(F)(F)F)C1 1141474004 QGHDVIFIRPCMOJ-AWEZNQCLSA-N 446.495 1.896 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)cnc2Br)CC1 1157010241 YYLGOIYEUVKYOF-UHFFFAOYSA-N 444.127 1.114 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 1165353888 MTNFAVBZKKQAOC-CYBMUJFWSA-N 431.495 1.439 30 10 IDEE CCn1c(Cn2cnc(C#N)cc2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1166406231 AEWPLQQHVHGTQQ-UHFFFAOYSA-N 426.502 1.707 30 10 IDEE CC1(C)OB(C2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)OC1(C)C 1176612325 SIHUNKXMLKFDIZ-IBGZPJMESA-N 449.401 1.785 30 10 IDEE COCCCN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1252507262 KCBYUJAZFSZDCI-OAQYLSRUSA-N 448.589 1.758 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1286306348 SFZGKOQDDIKOBY-NRVIRDBHSA-N 432.569 1.573 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1286382402 ROSURNJWIHXWRR-MRXNPFEDSA-N 439.582 1.248 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1286393308 JXBNGPPWRRBFGL-IBGZPJMESA-N 447.536 1.161 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1286408397 FZGQKTGSBHTZME-OAHLLOKOSA-N 438.438 1.689 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286438559 YRFDKYUDKPQZOT-HNNXBMFYSA-N 448.545 1.865 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1286466876 KQSNSBNUFDDCJQ-SFHVURJKSA-N 437.610 1.531 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286560814 JCIJPYBFTWSZHO-JENIJYKNSA-N 446.577 1.791 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1289085127 IKYUYSIXXLHNBM-IAGOWNOFSA-N 428.493 1.970 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1291840861 ONCPMYQQTQLBKT-IRXDYDNUSA-N 441.536 1.332 30 10 IDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1297798508 HHAONBYFNNNPDM-INIZCTEOSA-N 426.535 1.548 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300399556 NMZISFHDPDBPBH-UHFFFAOYSA-N 433.516 1.403 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1300511135 FTCDCWSRPCAGPS-QFIPXVFZSA-N 426.473 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCCC2)CC1 1300710787 LHWVEHJIXPRULK-GOSISDBHSA-N 443.596 1.114 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCOCC2)CC1 1300724656 AYHSTESUOQRHDE-UHFFFAOYSA-N 430.597 1.555 30 10 IDEE COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCC1 1301142823 IFEKLPFBROZIKD-HZPDHXFCSA-N 440.570 1.024 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301442040 PZIAZXVEGVCGCU-DYESRHJHSA-N 445.955 1.958 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301637132 MEBNMMABMVBYBU-JOCHJYFZSA-N 437.504 1.668 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1302312108 WAWJJTZRLBNNLX-OTWHNJEPSA-N 440.504 1.072 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)c1 1304292643 VNTVOEUJLVIMLV-IBGZPJMESA-N 428.537 1.781 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1305301986 WBCSOIUVJVZMKO-HTAPYJJXSA-N 442.568 1.573 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c(=O)n1CCO 1307389375 QUZIMUVTGRXTMS-FQEVSTJZSA-N 438.528 1.844 30 10 IDEE COCCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315997462 AUOUBZWLGLJEAV-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1316009960 MJFSXLJCJJYQHR-UHFFFAOYSA-N 438.536 1.534 30 10 IDEE CSCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1316478284 ZWMXKTKJYOENKA-HZPDHXFCSA-N 428.566 1.912 30 10 IDEE CC(C)N1CC[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)[C@@H](c2cnn(C)c2)C1 1349466056 ZMXNGODIBXMWFH-FUHWJXTLSA-N 426.525 1.304 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358965317 SFSWBQLBNKZMDH-OALUTQOASA-N 447.630 1.899 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1358970435 OFWQTFNRYKQMFW-JOCHJYFZSA-N 442.541 1.455 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC=CO2)CC1 1359032058 ZNETXLXEGQKCCZ-IBGZPJMESA-N 441.557 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnn(C)c2)CC1 1359047846 VQLFGDPFJMYZQM-UHFFFAOYSA-N 447.543 1.913 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1359289331 WABRPQXRLJTQJR-UHFFFAOYSA-N 437.548 1.025 30 10 IDEE C=CCn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@]1(OCC)CCOC1 1359290402 ZOAUPRQSWLLGLY-IBGZPJMESA-N 427.571 1.414 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1359296345 GBEAFRSHPVTRQM-QHCPKHFHSA-N 433.516 1.758 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1359298127 OHVMLGJLTKJUBT-UHFFFAOYSA-N 446.515 1.892 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@@H]1C 1359300799 KJBNJBJGCWFOJW-DOTOQJQBSA-N 429.546 1.606 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359304761 ISOPKBZEPSEMJF-JOCHJYFZSA-N 440.504 1.027 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)C1 1359321710 KNOYUEAWQXNNCL-HZPDHXFCSA-N 425.555 1.192 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCOC2)C1 1359336386 OCTIRYYNFIWEJJ-ABSDTBQOSA-N 440.566 1.220 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C1 1360784521 GNIKMCVNZLVYHQ-VQIMIIECSA-N 434.522 1.382 30 10 IDEE CCO/C=C\[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1450336756 FBBFBRKPPIJULO-JXMNSVBMSA-N 435.424 1.452 30 10 IDEE Cn1c(=O)[nH]c(N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c(C#N)c1=O 1458634278 SUJGQKYYYOCOJD-FVUUGDKNSA-N 425.489 1.982 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1462353921 DDSLMTWSOZIECN-OAQYLSRUSA-N 439.537 1.795 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCC1 1470755365 ZSASNBMIIWUZQA-KSSFIOAISA-N 426.539 1.404 30 10 IDEE COc1cc(Br)ccc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1478489351 BDVLVNSCSLGSKP-LRDDRELGSA-N 428.308 1.537 30 10 IDEE COc1ccncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1504458752 DTIYTISZZJIVLO-YWZLYKJASA-N 430.534 1.762 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1507535493 YYLYEUQJIJVWTJ-QMHKHESXSA-N 436.516 1.938 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1507536295 BJAHARUPFKRHOV-TWOQFEAHSA-N 439.582 1.010 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507630399 YCARZADGYPEQII-MRXNPFEDSA-N 446.529 1.462 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC)nc1 1507644794 OSVSMSWQBQCWEM-UHFFFAOYSA-N 425.456 1.446 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1507660490 VSGDVLGGSVKVEH-OALUTQOASA-N 434.610 1.473 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2CCC(OC)CC2)CC1 1507725334 TVEAZFYOHRCYEA-UHFFFAOYSA-N 439.608 1.928 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)N(C)C)CC1 1507743080 YQNZEUMMGWAREY-UHFFFAOYSA-N 426.496 1.062 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1507836876 CAWBLOLQXAXYCY-SJORKVTESA-N 426.587 1.156 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507964506 GYKYKOWSVRYFEG-UHFFFAOYSA-N 439.520 1.377 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1508076801 WAACXSCFPPMXOX-QGZVFWFLSA-N 438.598 1.535 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 1508114890 MWAXOKZKXLEAJX-CVDCTZTESA-N 443.548 1.767 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1512552503 GXHWWUDAHAYKKP-MRXNPFEDSA-N 432.550 1.018 30 10 IDEE CC[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1514083661 AOYLTJMXRHYOPU-DXQAYGFFSA-N 427.509 1.277 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@H]3CC3CCOCC3)C2=O)cc1 1537360559 XFMSHBJNMVEHOC-WOJBJXKFSA-N 440.500 1.807 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(CC#N)cc1 1537510874 UDXTWOVZQHKPRN-UHFFFAOYSA-N 429.498 1.712 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1539028594 CFUSLPPPALZAKX-SFHVURJKSA-N 446.573 1.872 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1539178362 HGUVVQWPOUCAHK-QGZVFWFLSA-N 425.518 1.187 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1539219268 BQGRLLJKSAJKTE-CVEARBPZSA-N 428.505 1.987 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1539369289 IUUXKOMUVUAZFT-INIZCTEOSA-N 437.591 1.980 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCn2ccnc2C1 1539400962 NYAMCMWKIRLIHV-WMZHIEFXSA-N 442.564 1.864 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1539415493 DWARKXZXQIQIKE-GHTZIAJQSA-N 435.594 1.076 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2cnc3ccccc32)CC1 1539428903 XLEADKYDADTMCO-UHFFFAOYSA-N 434.548 1.612 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1539538392 GWPCJDUPFLDQQO-ZLGUVYLKSA-N 431.562 1.788 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539798117 CSDOUFSIIPVQIO-ZWKOTPCHSA-N 430.940 1.837 30 10 IDEE C#C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 1539807918 MAKIVLDBLWCOOR-VQIMIIECSA-N 435.502 1.540 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C(C)=O)CC2)CC1 1539900486 NUKIYMSBHUIVPG-SFTDATJTSA-N 446.596 1.569 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1540119105 GWNGNWBXNJGWKG-MBSDFSHPSA-N 438.532 1.909 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 1540875500 NYJWBEPRORNGSU-UHFFFAOYSA-N 430.484 1.403 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)C1 1540892016 CXMCVXPSGGZPKZ-HZPDHXFCSA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540906836 DATREMCLOAJQGD-SFHVURJKSA-N 435.594 1.813 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1540915484 LVTIUOOGKSBBEJ-SJORKVTESA-N 432.594 1.891 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541469243 HBGCADQBAIPYHK-FMQUCBEESA-N 429.569 1.924 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1542187921 QWHKNTCUMWSEAY-QGZVFWFLSA-N 437.537 1.814 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1542468836 KGTZEVUSBRYLIS-HRAATJIYSA-N 441.467 1.596 30 10 IDEE C[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1544132602 MKEXVXUYMFOZBQ-QAPCUYQASA-N 448.549 1.750 30 10 IDEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547728083 HOPTYYSLCSSBTN-QFIPXVFZSA-N 448.575 1.963 30 10 IDEE N#Cc1ccc(N2CC[C@@]3(CO)CN(C(=O)CCn4cnnn4)C[C@H]3C2)cc1C(F)(F)F 1548366392 LOWFQPPARPKDAP-BEFAXECRSA-N 449.437 1.301 30 10 IDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1555707564 VEDHVRUBGWLTDV-IBGZPJMESA-N 427.505 1.885 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)CC1 1568701215 IWPCUKOQXQAOFR-FQEVSTJZSA-N 428.533 1.221 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(Br)cnc3OCC3CC3)C[C@H]1CS(=O)(=O)C2 1585137958 DDJXDLRVUOUMMD-SJCJKPOMSA-N 440.319 1.643 30 10 IDEE Cc1nn(C)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)c1C#N 1585832859 PUEVQKDKXJNGGT-GOSISDBHSA-N 445.277 1.768 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1587561738 HVWJTKUGICNAGB-CHWSQXEVSA-N 426.930 1.474 30 10 IDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1587758658 FUYSRGBQADCACQ-SJORKVTESA-N 426.525 1.855 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587823452 QXMPYKCDPAHJQQ-KRWDZBQOSA-N 437.460 1.739 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1589481909 DNZKXPARBOQWJN-FUHWJXTLSA-N 430.553 1.310 30 10 IDEE C=C(Cl)Cn1c(CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1593889176 CBHSFWVFXRVPBD-RDBSUJKOSA-N 445.973 1.720 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595476641 MHHVNHRFJSVWFB-IAOVAPTHSA-N 445.451 1.974 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 1595570058 VRQSUDMCKJLUGI-UHFFFAOYSA-N 442.520 1.263 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613339170 VYILDUJYEJHZJM-XZHYIPMRSA-N 445.568 1.475 30 10 IDEE C#CCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 1614154599 ZOZMMVUGYIKWRJ-FVGNFYTDSA-N 449.554 1.754 30 10 IDEE Cc1cc(C)cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)NCc4cccnc4)[C@H]3S2)c1 1616174706 CTXYIXGBPDQPIA-LASHMREHSA-N 426.542 1.818 30 10 IDEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1620035434 CUQZLRLUDRZLLP-IBGZPJMESA-N 433.488 1.333 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N[C@H]3CCN(O)C3=O)c2C(F)F)C1 1624906128 AYXPBNMSAWJGSD-ZJUUUORDSA-N 430.412 1.118 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)C2CCOCC2)cc1 1627963898 GFENKGANWSOKLE-UHFFFAOYSA-N 428.532 1.088 30 10 IDEE COc1ccc(N2C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1 1632493016 HOMXIKWUROBBAY-ZBFHGGJFSA-N 442.497 1.155 30 10 IDEE CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1634464522 XSGMIPGNUYDMKU-MRXNPFEDSA-N 449.305 1.737 30 10 IDEE Cn1cc(I)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1638202770 DOOOLTYVVVROFH-KOLCDFICSA-N 445.261 1.514 30 10 IDEE CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639783093 WAYIZWBJWICAQO-CIUDSAMLSA-N 426.304 1.749 30 10 IDEE C[C@H](CC(=O)N1CC(=O)N(C)c2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1641636260 NTXMEWYWMXMMTE-CQSZACIVSA-N 426.498 1.509 30 10 IDEE CCOC(=O)C[C@H](CO)NC(=O)COc1c(Br)cc(C#N)cc1OCC 1641745916 NYKFIRSTYFACGA-GFCCVEGCSA-N 429.267 1.529 30 10 IDEE C[C@@H](C(=O)N1CCc2nc[nH]c2[C@@]12CCN(C(=O)OC(C)(C)C)C2)n1cnc(C#N)n1 1641922829 PBMMQNZVSTWKOF-RBZFPXEDSA-N 426.481 1.355 30 10 IDEE Cc1cc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(C#N)cc1[N+](=O)[O-] 1642072673 NIDNMWHIKCWBQG-UHFFFAOYSA-N 430.490 1.734 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CN(CCO)C(C)C)CC2)ccc1F 1643398326 MTVXNIHYJJXWJQ-UHFFFAOYSA-N 441.569 1.845 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)CCOC1 1645848090 QYVFHAUPXZYSGQ-HSZRJFAPSA-N 444.507 1.390 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCc2c(sc(N)c2C#N)C1 1646255805 RHWJBQRZTYWKJX-INIZCTEOSA-N 435.550 1.752 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 1653252330 ZFRWKDZEUMHWCC-RTBURBONSA-N 446.548 1.651 30 10 IDEE N#CC1(NC(=O)CN2CCNC(=O)[C@H]2c2ccc(I)cc2)CCC1 1654986526 HAWRECHPBOWBQZ-OAHLLOKOSA-N 438.269 1.327 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cn1 1664952571 CEPXRHXWJDHJMC-UHFFFAOYSA-N 438.296 1.848 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC(Oc3ccc(C#N)cc3)C1)CCS2(=O)=O 1676624596 BUTYFBNYUPFTJM-TZQQIIETSA-N 447.513 1.230 30 10 IDEE C#C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)[C@@H]1CCCO1 1681591991 BWYCJTOEMUCHAV-JCECYMMASA-N 448.520 1.391 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 1682400976 BWIAXNNSNMMCMF-HNNXBMFYSA-N 428.480 1.802 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689991754 BZOPOEYMGIMZQM-CVEARBPZSA-N 428.649 1.952 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1690031508 NAWSOFHAVSYHKU-UHFFFAOYSA-N 429.484 1.444 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1690031636 RJYUDXSFQIVQON-HXUWFJFHSA-N 449.559 1.745 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nncn2CC)CC1 1690111786 JZQLUZSMSMNYSO-KRWDZBQOSA-N 438.511 1.972 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCc2cnn(C)n2)CC1 1690132221 LOJRNRMOKUBHAS-UHFFFAOYSA-N 448.575 1.990 30 10 IDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1690517714 LVFKIEMFQQRNCD-UHFFFAOYSA-N 431.493 1.452 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1690669253 ZGQSGWULBILODW-HNNXBMFYSA-N 434.504 1.715 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1695429530 BIUZZUZBPZKSPF-OALUTQOASA-N 435.532 1.980 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1697407622 IMOQKAUAELYHBO-VQTJNVASSA-N 427.505 1.606 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1698128986 IVYAVKRCRIPEML-INIZCTEOSA-N 439.582 1.957 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4CCCC[C@H]4C3)n2CC(=O)NCC(F)F)c1 1698486507 ZCARUSGOYYGREO-KRWDZBQOSA-N 429.475 1.873 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCCn2cnnn2)c1 1705507397 ZYCQYPYANSUANK-IBGZPJMESA-N 449.519 1.653 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1705598508 KZDYIAJFICDGQB-MSOLQXFVSA-N 429.546 1.539 30 10 IDEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1705741907 CQLAXYDNOGVPMN-GOSISDBHSA-N 449.577 1.797 30 10 IDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1710875628 DVZLTQPJMSHPNK-UHFFFAOYSA-N 434.522 1.571 30 10 IDEE Cn1cc([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C2)cn1 1711253151 JLSNIERRKDWIEK-MRXNPFEDSA-N 440.458 1.925 30 10 IDEE COC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1712160329 LUJWGDDUAYMFBE-FQEVSTJZSA-N 448.531 1.519 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712598756 LVNCZTMLAVGHAF-DPPKGPFUSA-N 444.536 1.704 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCC#C)CC1 1722321993 FAMHBWNLKXWIGJ-PMACEKPBSA-N 427.549 1.771 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1722328172 XSISXUQRXBFJMQ-FQEVSTJZSA-N 449.563 1.881 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1722345328 OVJHSYLDWXFNMG-HNNXBMFYSA-N 445.524 1.525 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(CC)nn(C)c1OC 1722346971 XOJNZVOJRKKMHU-UHFFFAOYSA-N 442.545 1.771 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1722359755 AQFZKTTVRGHDFG-AWEZNQCLSA-N 429.531 1.061 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1722367432 NGTQRQPOWAUGTB-QAPCUYQASA-N 448.520 1.605 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2Cc2nncn2C)n1 1722430103 XCOSURKKNKBHMU-UHFFFAOYSA-N 425.541 1.526 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](C)N2CCC(C)CC2)CC1 1722432568 YHQHFCQPGKUDRE-LEWJYISDSA-N 432.613 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2F)CC1 1722446916 BMTOAZQDCQXSOE-IBGZPJMESA-N 438.507 1.691 30 10 IDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722613390 GKGPITQYVZBLID-UHFFFAOYSA-N 443.533 1.946 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC[C@H](C2CCC2)C1 1722702174 GFPNPWHRHQWSTD-NSHGMRRFSA-N 433.553 1.557 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](C(N)=O)C1 1722702841 SCRWTBCROIQEEH-KRWDZBQOSA-N 426.521 1.478 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722703696 FGPPIEUGZBXEDE-IYBDPMFKSA-N 431.518 1.443 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(O)CCC1 1723616632 IJQAOGBHZPHJHQ-UHFFFAOYSA-N 438.536 1.315 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729305188 AOKSXYXNXBFWKW-MSOLQXFVSA-N 437.504 1.157 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1740545555 AWIWXDAOBGUZCC-WMZOPIPTSA-N 447.543 1.908 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740619814 LLGSUWRBSZPWNG-IRXDYDNUSA-N 447.948 1.965 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1740623345 RSDDOKSYPODPGQ-IRXDYDNUSA-N 433.578 1.477 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1740643941 PSJCVHKMUXURTG-SFHVURJKSA-N 442.541 1.763 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1740699528 KJCRFNRCUWJQKQ-UHFFFAOYSA-N 447.543 1.543 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)c(O)c2)CC1 1740700813 JFELGUSTJYBFIL-RXVVDRJESA-N 441.532 1.520 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740959534 YYXRRBBAPJRUEY-RDTXWAMCSA-N 438.488 1.089 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1740960188 MVIGZLCHMDQOOH-RCCFBDPRSA-N 432.569 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1748868229 UAJPKZLRPRUEKD-XMMPIXPASA-N 443.592 1.892 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2ccnc2C)nc1 1748958624 CVCXOMZYWCLBKU-UHFFFAOYSA-N 431.504 1.702 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2CCN(CC)CC2)CC1 1748993597 DNNXFYTWGAHKCR-UHFFFAOYSA-N 427.641 1.794 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749106624 GPLQCDFBWMQOIH-UHFFFAOYSA-N 432.388 1.999 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1749116078 ZNHRZGOTZFBCBD-PKOBYXMFSA-N 430.553 1.600 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749369805 ZKRVNTFZDCOKOP-HZPDHXFCSA-N 432.504 1.007 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749450674 PECNEDRQBWNSLV-INIZCTEOSA-N 443.508 1.795 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCc2ccccc21 1749669435 KUUZBHIKSDOKLH-AEFFLSMTSA-N 429.546 1.606 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1749680711 ORAZFMBWGHYGBF-QFIPXVFZSA-N 443.504 1.164 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1749727514 WJTURXKYYICUMW-UHFFFAOYSA-N 445.545 1.366 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749743974 CFVLXWLNYHZBQV-HRCADAONSA-N 428.628 1.480 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCOC2)C1 1750206237 AHBOTTFGVXVOJO-OAQYLSRUSA-N 445.545 1.495 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N(CCO)CCOCC(F)(F)F)o1 1750382070 AWJQAGAHOOUJKL-ZDUSSCGKSA-N 429.399 1.673 30 10 IDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N(CCO)CCc2ccccc2)o1 1750382771 KJEPLVQUNXWKCU-UHFFFAOYSA-N 434.500 1.955 30 10 IDEE NC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750392956 GJTQVLPLINRZQO-AXNLMSORSA-N 435.488 1.173 30 10 IDEE CC(C)CN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1750842956 BHNDTABPBVEDFN-QZQOTICOSA-N 441.536 1.062 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1760187728 FCBADMPILNYOSI-CEXWTWQISA-N 443.573 1.826 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760299644 BZEFBZFVRXULEK-GOSISDBHSA-N 439.358 1.822 30 10 IDEE C=C(C)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1760349199 CXFRQJGLYPMXQI-SFTDATJTSA-N 432.525 1.321 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1760360020 OHMAXMBIKLOWPO-UHFFFAOYSA-N 436.582 1.746 30 10 IDEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1760477066 OJDVVWZGUJVNNP-FQEVSTJZSA-N 438.500 1.852 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1760505175 NFYCDLVCABEYQM-ZACQAIPSSA-N 445.561 1.388 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(Cn3cccn3)CC2)nnc1[C@]1(OCC)CCOC1 1760528777 MGZBHWBISUXXIJ-QFIPXVFZSA-N 443.552 1.346 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOCC1(C)C 1760698183 DHYJNUOLWOUPKD-INIZCTEOSA-N 445.593 1.976 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC(F)F 1761881073 PRBOTYZXUNBMDZ-AWEZNQCLSA-N 432.479 1.766 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nccc(C(F)(F)F)n2)cn1 1769008481 DIHDATGYHMEEFY-ZDUSSCGKSA-N 433.398 1.459 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)C1 1771529350 MIMKWJUQWGPCQH-BXUZGUMPSA-N 441.476 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCCO1 1772660095 IHFVJOCCUGBWLQ-MRXNPFEDSA-N 434.518 1.890 30 10 IDEE COc1ccc(Cn2c(C3CCN(C(=O)c4cnc(C#N)nc4)CC3)nn(C)c2=O)cc1 1848453953 IDSFBOYIQRWPEN-UHFFFAOYSA-N 433.472 1.320 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCO[C@@H](C#N)C2)c1 1851064972 MSRBCHPEFVUZTP-VQTJNVASSA-N 427.526 1.944 30 10 IDEE CC(C)(C)[C@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1851682947 MMUYHDZPDHRUHL-IBGZPJMESA-N 447.605 1.431 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cn(-c3ccncc3)nn2)cc1 1852772724 IFFDGGNFBDRSMJ-FQEVSTJZSA-N 434.456 1.471 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2=O)CC1=O 1854002236 HTQBMEBCURVCJI-QGZVFWFLSA-N 433.530 1.204 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(Cc3nnc([C@@H]4CCOC4)o3)CC2=O)c1 1855922600 VHSWWCAJAYPKPZ-CQSZACIVSA-N 429.864 1.778 30 10 IDEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1866335837 VXLPCJVJOJQDPO-GFCCVEGCSA-N 429.882 1.190 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccccc2C#N)cc1OC 1868136747 KDOQRBHKRCEDJU-UHFFFAOYSA-N 431.470 1.494 30 10 IDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1O 1874273887 LZEITJRUGNPASJ-IKDHMPEHSA-N 446.533 1.566 30 10 IDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875228105 ZUKDZFDDXIEBPR-UHFFFAOYSA-N 428.537 1.206 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCS(=O)(=O)CCN1C(=O)OC(C)(C)C 1982283928 UPBCNXRZQKDKKO-UHFFFAOYSA-N 433.346 1.107 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624931 DRAMADJRMSBNOT-PBHICJAKSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073754154 JUNNHGMXUMCKFN-PXIJXODZSA-N 437.346 1.840 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124519427 JRCNOZYKTAIANZ-CRAIPNDOSA-N 448.369 1.919 30 10 IDEE C#CCn1ncc(NC23COC(CNC(=O)OC(C)(C)C)(C2)C3)c(Br)c1=O 2162334261 JNMLECWSHAXIGF-UHFFFAOYSA-N 439.310 1.877 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545060 KHSZZRBELMBIFQ-HUUCEWRRSA-N 436.314 1.679 30 10 IDEE Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)oc1B1OC(C)(C)C(C)(C)O1 2255624201 WDLKJQGRGLZXNV-UHFFFAOYSA-N 436.314 1.911 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255626799 KQQCZARBSDJFFN-YEJXKQKISA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256678776 HAQXBXVIJFPUSA-CQSZACIVSA-N 439.293 1.734 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267011592 IEIBXSFZNAHWHJ-INIZCTEOSA-N 449.357 1.860 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267131961 JQPDSHWJDYQOIN-FPTDNZKUSA-N 446.357 1.941 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267263933 LMERJDIGGYNMMN-KGLIPLIRSA-N 449.361 1.538 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267293960 XVYRSKJAPWHNSN-QFIPXVFZSA-N 449.357 1.806 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550098 UWKVVSJEWSHUKX-OAHLLOKOSA-N 448.329 1.142 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2267586722 NSVYTVKYNCWFQL-OALUTQOASA-N 434.349 1.980 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1 2267608271 VEIHTRWXUCXIDM-AWEZNQCLSA-N 449.361 1.491 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268650217 HVGNZUNBLDEBKG-MRXNPFEDSA-N 446.357 1.870 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269045613 OGKKIADBQNDIQK-SFHVURJKSA-N 439.321 1.696 30 10 IDEE COc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 2322659652 JZZXMTSBJCNMFK-LBPRGKRZSA-N 441.307 1.820 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2327374404 FMPMVCFLWWDDDF-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(Br)c1 2330772963 WFONFPILDDLQFJ-UHFFFAOYSA-N 426.296 1.824 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(N3CCC4(CC3)OCCO4)=NC(O)=C2[C@@H]1c1c[nH]c2ccccc12 72444391 WEJFWHOOZJUFAS-PBHICJAKSA-N 446.467 1.898 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(F)cc2)[C@@H](C#N)C(=O)N3)CC1 72444712 AMCMJJPBDQBIKZ-HZPDHXFCSA-N 439.447 1.912 30 10 IDEE CN[C@](C#N)(Cn1cnc(I)c1I)C1CC1 304278520 FBYYPPAOFGWAKQ-SNVBAGLBSA-N 442.042 1.984 30 10 IDEE COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)ccc1C#N 427154801 YZYZRJMPTSPXNK-AEFFLSMTSA-N 449.916 1.661 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 441922131 HZHZGUJNFTWQNE-INIZCTEOSA-N 447.516 1.736 30 10 IDEE Cc1ccc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1S(=O)(=O)NCC#N 442769905 MRGZMWGWYBCAGJ-UHFFFAOYSA-N 439.501 1.696 30 10 IDEE COc1ccc(-n2cc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)nn2)cc1 446266153 UGKYZXARQVXBKT-UHFFFAOYSA-N 440.485 1.398 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 481764786 HVSDOPICTHMAGE-HBMCJLEFSA-N 446.523 1.577 30 10 IDEE COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(F)c1 481781641 QUZGBAPMHDIWBA-WMLDXEAASA-N 447.488 1.512 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481983976 UEWUOLNHYSQBCO-HNNXBMFYSA-N 442.566 1.441 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 486629466 SGEOMKJAGYYKHI-UHFFFAOYSA-N 448.998 1.885 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)C2=O)cc1 503831297 OVDVDNJCCGJPLK-GOSISDBHSA-N 445.522 1.362 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@@H]1CCCO1 514492210 HOQQSMCCXCEHOT-AEFFLSMTSA-N 441.553 1.051 30 10 IDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 522673942 AIVBORKZQNLKCX-UHFFFAOYSA-N 426.494 1.929 30 10 IDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@H]1CCS(=O)(=O)C1 533294355 VGYNPYQXWSLSFE-SJORKVTESA-N 448.589 1.723 30 10 IDEE N#Cc1ccc(OCCNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 538386749 JKNIALQPFBBYAB-LEWJYISDSA-N 433.512 1.835 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 540121939 DDFTXXTXLSZXRW-KSSFIOAISA-N 431.518 1.176 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544078917 BHVOZUYPNZFWGR-UHFFFAOYSA-N 439.566 1.692 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CC2)n1 545547419 DCMCYMYWWFTKJP-UHFFFAOYSA-N 433.921 1.624 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)C2=O)cc1 549190980 SWVOUAZGLSOPMK-HSALFYBXSA-N 426.517 1.526 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)C(=O)NCCN(C)C 561537808 FNPDRTBXUBMAGL-HNNXBMFYSA-N 445.383 1.692 30 10 IDEE Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)n1 585485266 VEWMFMKRHURFSZ-UHFFFAOYSA-N 435.513 2.306 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 603797336 BWPVERROZJOKKO-KRWDZBQOSA-N 429.517 1.647 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 603989764 HMQMUBQGXFOJBX-SFHVURJKSA-N 441.553 1.515 30 10 IDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 730143339 AGIFMESJPUHVBB-INIZCTEOSA-N 426.514 1.480 30 10 IDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1 732675092 WPUOGARAFMYXBN-PXNSSMCTSA-N 445.589 1.989 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O 757274014 GKQNLYVLLDKJKI-ARBPTSGCSA-N 448.475 1.963 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@H]2CCCS2)C1=O 757369175 CYCWMBAWDJKMNX-JICHNDPSSA-N 449.646 1.888 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C1(N2CCOCC2)CCC1 769818804 SITCLAUVCRFEQU-UHFFFAOYSA-N 432.521 1.750 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)CN1CCCCC1 771647733 CGIUPPBJJIMKCH-WMZOPIPTSA-N 436.578 1.103 30 10 IDEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 774059038 SKMDEGZLOLWCBB-QAPCUYQASA-N 441.575 1.559 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CCCC1 779314736 LUJFWQLGAPOCDY-IBGZPJMESA-N 440.525 1.953 30 10 IDEE C(#CCN1CCO[C@@H](c2noc(C3CC3)n2)C1)CN1CCO[C@@H](c2noc(C3CC3)n2)C1 792865435 BMLYWVZUOVIUPW-QZTJIDSGSA-N 440.504 1.658 30 10 IDEE CC(=O)c1ccc(Br)c(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)c1 798865580 ZTMNCJHBHUUMNM-QMMMGPOBSA-N 426.252 1.181 30 10 IDEE CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)c1C(F)(F)F 816695656 IAJQFDRKBAHDCI-CYBMUJFWSA-N 426.351 1.788 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 918769825 NHFGSDFUUOMZKK-ZDUSSCGKSA-N 427.442 1.448 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 1132249256 IQZRAEABXLWRHL-OAHLLOKOSA-N 432.454 1.533 30 10 IDEE CC(C)(C)OC(=O)NCCCSCCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159491638 ZBIFHUGJDDYEBR-UHFFFAOYSA-N 437.522 1.242 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1255059908 ATNVLVCMJIVRDU-JOCHJYFZSA-N 444.536 1.811 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1286469764 YVVMFSMTOPMIDN-OAQYLSRUSA-N 433.940 1.663 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC=C)CC1 1286486681 HLZOURNLWKXIQA-UHFFFAOYSA-N 431.500 1.085 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1286826927 XMEGWWMPAFKGFK-HNNXBMFYSA-N 435.575 1.579 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1287090332 YCPOJJRSKVLUSC-ZHALLVOQSA-N 442.520 1.835 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCS(C)(=O)=O)o1 1289597978 IBRDTYOVDVENRX-KRWDZBQOSA-N 448.549 1.084 30 10 IDEE Cn1cc([C@@H](CO)NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1295847411 LJTKPFVRGCRVOX-MOPGFXCFSA-N 425.489 1.976 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)CCOC1 1296662648 FSWPWUDRNXEILS-GHTZIAJQSA-N 435.525 1.245 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnnn1CC1CC1 1298968999 HXBDROYSNPPIMQ-CQSZACIVSA-N 434.508 1.080 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1300356759 FKXGOWLQNGNVRT-TZIWHRDSSA-N 449.559 1.381 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)CC1 1300699300 AXUOVCPLFSFZEY-VQTJNVASSA-N 448.637 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccnc2OCCOC)CC1 1300722314 IPGUWWNNTABFGN-UHFFFAOYSA-N 438.532 1.590 30 10 IDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1300828238 FSQIHRMZQPZROA-FZKQIMNGSA-N 431.470 1.507 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1 1301033027 DCDMARFJKPTDDT-UHFFFAOYSA-N 428.971 1.559 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1301040439 FSYPQQYOGAYDHQ-HNNXBMFYSA-N 441.985 1.914 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301222938 JNPCTAGDHHZYJK-HZPDHXFCSA-N 425.555 1.861 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCS[C@H](CC)C1 1301593526 OTMKRJMCAHCHOX-OAHLLOKOSA-N 427.596 1.333 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C 1303436504 FTCKGFIKKYDMEX-UHFFFAOYSA-N 425.537 1.940 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)cs1 1304664283 UBBKNOUJVIRMJX-UHFFFAOYSA-N 439.549 1.917 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C2(CC2)C1 1305569140 CVEHJLQVOPEPEI-QGZVFWFLSA-N 433.530 1.989 30 10 IDEE C#C[C@H]1COCCN1CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 1307830617 AGKLQMAAHFRXJO-ZCQLHAAUSA-N 433.917 1.827 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(C)(C)C 1308089253 XNTNZWATKMGRKZ-UHFFFAOYSA-N 437.562 1.270 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(-c3cccc(OC)c3)nn2)c1 1356457746 IFHLQIMAGCLQSM-UHFFFAOYSA-N 445.479 1.763 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1358915780 OYRDAYZINZMYJN-WOJBJXKFSA-N 428.581 1.751 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358933898 HZIPYKJJKYUAOK-HUUCEWRRSA-N 431.518 1.043 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1noc2c1CCCC2 1359018975 HKTZZMFGDSTEHP-JOCHJYFZSA-N 429.521 1.931 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCOC2)CC1 1359038578 AZXPDZCPXNZHQS-HSZRJFAPSA-N 425.533 1.381 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359130673 STNJNEBWCDOJIC-HXUWFJFHSA-N 439.564 1.676 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359202594 XPQFKYPURMKFNC-WBVHZDCISA-N 429.525 1.352 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C2COC2)nn1 1359279934 YEJPVVJYVPCQBC-UHFFFAOYSA-N 430.900 1.843 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359334232 XTDBWKGLGWRXTN-QZTJIDSGSA-N 431.562 1.728 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1360204697 UZWYMXMDKOWFQH-MRXNPFEDSA-N 427.509 1.088 30 10 IDEE Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1361247184 SNEBJYPHPNHTPS-ZPHPHTNESA-N 441.492 1.481 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnn(C[C@@H](O)CO)c2)c1 1441736943 MDUMVEKTQJCBOH-QIDKZVQTSA-N 449.533 1.082 30 10 IDEE COc1ccnc(N2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)n1 1442728868 QBTLTKFOHAKQEE-UHFFFAOYSA-N 432.278 1.847 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)s1 1453976587 LJPREAWYFPIHBC-OAHLLOKOSA-N 448.526 1.664 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)c1 1465188959 WDIGGJLJBVMRGO-UHFFFAOYSA-N 443.456 1.929 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)C2=O)cc1 1467708002 SVHDBBCADHZRMC-WIOPSUGQSA-N 432.524 1.802 30 10 IDEE C#CCSCCNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1468938864 MDASIEMUTWSHMJ-QEEYODRMSA-N 425.551 1.841 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(N3CCN(C)CC3)ccn2)s1 1471051755 VCWPQBNHNYSIAE-UHFFFAOYSA-N 435.575 1.540 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CCS2 1472274012 UNZMVKTZQIKVSA-OHTSDLOESA-N 436.555 1.807 30 10 IDEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1503280984 FOOJYTOFERFDDG-IBGZPJMESA-N 444.561 1.934 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507518608 VWZPTYQGTNJZGW-MCIONIFRSA-N 428.559 1.259 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1507518618 MAZHWJVGVAEURR-JPYJTQIMSA-N 440.548 1.668 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507631771 TTYNMNCIPPNXML-SZMVWBNQSA-N 434.566 1.366 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1507672124 UYFDJMDFLAXTJL-NRFANRHFSA-N 442.479 1.796 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCCC2)CC1 1507737893 CSZZUEBBZYMSOE-FQEVSTJZSA-N 428.581 1.971 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1507737961 DWVWXOLQFGXFPR-WOJBJXKFSA-N 428.581 1.622 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1507765233 KJUWOCZWTDNURK-XMMPIXPASA-N 445.527 1.969 30 10 IDEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507942944 XSXRFKHSESQTNZ-UHFFFAOYSA-N 438.532 1.847 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1508040345 WPOSIBBUEOLECZ-DLBZAZTESA-N 432.546 1.995 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508073569 ODPOYAUSGWWZTD-HXUWFJFHSA-N 427.465 1.118 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1508075921 QREUJDBPLBTILK-MOPGFXCFSA-N 445.612 1.617 30 10 IDEE C=CCSCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1508167770 LDYWMLARUZMRQO-LPHOPBHVSA-N 444.623 1.861 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1512646473 HRCPSDGPUIHWPX-CQSHLORDSA-N 446.577 1.793 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1515392889 GZRGBYYETKNUDU-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2CCCOC(F)F)cc1 1521110090 JBYKUIGQBIAKOY-QGZVFWFLSA-N 448.474 1.879 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1539123755 DFHVRTRXPWZJRG-UHFFFAOYSA-N 431.562 1.763 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539225313 MUWGHINRDHZAJX-FXAWDEMLSA-N 442.589 1.373 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1539259222 BGDYIMUEBOJFOS-UHFFFAOYSA-N 436.516 1.727 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCN(C)C2)CC1 1539484355 MEUNGMVITULGNJ-HSZRJFAPSA-N 428.581 1.043 30 10 IDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1539490775 HXEHQCHNNBMKBT-MRXNPFEDSA-N 425.566 1.922 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539512312 BPALYGZSRXBKRI-INIZCTEOSA-N 427.596 1.404 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1539557234 NOQBIRBJLGOJMM-DYESRHJHSA-N 433.578 1.479 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539700202 SUFPXRLAZACKCE-UHFFFAOYSA-N 443.552 1.572 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2CC)C1 1540890159 AWMMPDUJSSQBFJ-MAUKXSAKSA-N 427.553 1.917 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540902659 NUTHSHZEBHIDBF-KBPBESRZSA-N 438.472 1.540 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ncccn2)CC1 1542527790 ZOARPJNIHJEQGN-SFHVURJKSA-N 430.553 1.412 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1544085770 HYYKSUGYNRJYPL-DXQAYGFFSA-N 429.525 1.569 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)n[nH]2)c1C 1545582277 SKSLDGAQMYDWDW-HNNXBMFYSA-N 439.472 1.974 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCO[C@H](C)C1 1546532555 PTLWONOBRFYYMA-LJQANCHMSA-N 438.580 1.935 30 10 IDEE CN1C(=O)C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)CC[C@H]21 1554326248 NBPMZOFIOFKGAI-ZWKOTPCHSA-N 442.545 1.308 30 10 IDEE C#CC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)OC 1556970898 LKVQMJDSVFFCHA-ZIAGYGMSSA-N 426.256 1.880 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 1559897838 YIZUQSMIUYVRFS-MRXNPFEDSA-N 435.484 1.710 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 1565163983 SLMWXHFFZKMIBS-IBGZPJMESA-N 438.507 1.825 30 10 IDEE C#CCN(C(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1565186619 SJTXRJQOCAZNHC-NGEICVOHSA-N 425.551 1.750 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)C1=O 1586160173 OJVJZYXBVZJATQ-UHFFFAOYSA-N 428.832 1.465 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588059744 UDMFUUPHRMLEHY-HKUYNNGSSA-N 427.574 1.918 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NC(C)C 1588158957 NCEONVZMFTUGOO-UHFFFAOYSA-N 447.587 1.240 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCOC1 1588228688 JYXBJTCJVNXJHP-HSZRJFAPSA-N 435.532 1.066 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1588385186 GAAVUHIWTUOQSZ-JKSUJKDBSA-N 439.582 1.895 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCc1ccc(S(N)(=O)=O)cc1 1588605123 ZHCHPTUZUPFGAX-UHFFFAOYSA-N 443.529 1.823 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC)CC2)CC1 1588865635 ZFRQVFVARSXQEK-UHFFFAOYSA-N 427.597 1.278 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595545502 XZPOREYXKJJOTO-OAHLLOKOSA-N 434.541 1.578 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595593428 DJSCIAUNKBSKIY-JOCHJYFZSA-N 442.520 1.130 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCOC1 1595777258 KRKZLWBDNJFHAJ-MRXNPFEDSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595777904 UINKKJMXXGUGBS-UTKZUKDTSA-N 432.546 1.930 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)cc2C1=O 1598441030 NYACRNFIHFLJMP-CQSZACIVSA-N 426.450 1.433 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1OC 1615666407 FOEDXLJVTSZJBS-RTBURBONSA-N 447.561 1.739 30 10 IDEE COc1ccc(CN2/C(=N/c3ccccc3)S[C@@H]3[C@H](C(N)=O)C[C@H](O)[C@@H](O)[C@@H]32)cc1 1616175235 SBOHTMZECCKYNI-SPGKFYSFSA-N 427.526 1.896 30 10 IDEE CCOCc1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1Cc1ccc(C#N)o1 1616928972 GTCXKNKJAIPDHQ-UHFFFAOYSA-N 429.525 1.318 30 10 IDEE Cc1c(C(=O)NCc2ccc(C(=O)NO)cc2)cc(Br)cc1S(N)(=O)=O 1618007913 PUHVCCRCGVRBOQ-UHFFFAOYSA-N 442.291 1.454 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1618160317 FIUHSVSAYMUMRZ-INIZCTEOSA-N 428.514 1.124 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1620324923 IJYXUOUTSHGMPD-VXAPJYQHSA-N 444.536 1.702 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1620350444 GCSFVZUGHVFFCN-KRWDZBQOSA-N 433.559 1.353 30 10 IDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)n1 1635951798 VMWKFYIOIALZTG-UHFFFAOYSA-N 425.470 1.730 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1 1638392956 SBGLDJJWVQSSBS-VQTJNVASSA-N 432.590 1.793 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1639210476 FEXVUHGIXOCBSY-IAQYHMDHSA-N 426.336 1.839 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1639989227 DDBINSVXUYECIJ-UHFFFAOYSA-N 436.497 1.709 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)cc1 1641188579 ZELKCPNVPAEUTH-UHFFFAOYSA-N 437.499 1.231 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1643027775 FJJIVDOAZKPNSS-MSOLQXFVSA-N 436.530 1.584 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)COc1ccccc1C#N 1652619927 GZHGCDOZYJHECJ-ROUUACIJSA-N 433.505 1.782 30 10 IDEE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCO[C@](C)(C#N)C1 1654933035 XOZIGWWTQSEKSR-JOCHJYFZSA-N 432.521 1.874 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)c1 1656192222 KUCLDLUBHHHTII-NRFANRHFSA-N 442.585 1.697 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1 1669870403 XNLVNHNVAMPMMS-UHFFFAOYSA-N 425.536 1.117 30 10 IDEE CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1=CCOCC1 1676785347 HZZOPJDLTINBNX-UHFFFAOYSA-N 432.546 1.947 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC(N4CCCS4(=O)=O)CC3)CC2)nc1 1683842857 BPZWALFQABDAIN-UHFFFAOYSA-N 432.550 1.132 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1684359759 BRRPKRQHSIBHLI-QFIPXVFZSA-N 433.560 1.601 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1689922568 RSUHFKLZEUPVRK-SFHVURJKSA-N 426.546 1.996 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1690000803 BLTJWVHJVRRIIL-OAHLLOKOSA-N 435.937 1.694 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C(F)F)N1CCOCC1 1690025610 XRGLQNPBUDUABC-LJQANCHMSA-N 445.518 1.569 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1690046295 AIPGUFBYGFIDDY-SFHVURJKSA-N 443.548 1.897 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1690099579 CSOCSGVWJPXRJY-UHFFFAOYSA-N 442.545 1.326 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(O)c2)CC1 1690180354 DSPBGIHDRWWPFY-UHFFFAOYSA-N 440.573 1.799 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690726908 QELGECORUTXLQX-KDURUIRLSA-N 448.545 1.234 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)n1 1693429065 DQCNEKCTQCDDHJ-SFHVURJKSA-N 426.525 1.271 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C#N)C1 1696499199 DXJQWQJMHAKPCX-GOSISDBHSA-N 448.549 1.224 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)C 1705489407 OQSLNQQESZPVPA-OAHLLOKOSA-N 431.566 1.611 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCCn2cnnn2)c1 1705506106 ZRAUBDLLIAIYPI-UHFFFAOYSA-N 445.487 1.980 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705566447 NNBUPLYXGOLPOY-MRXNPFEDSA-N 431.566 1.567 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1705573313 DOSDTAVJAKHOKY-UYAOXDASSA-N 442.589 1.572 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705612591 KHPXYAUQQDZISQ-FGTMMUONSA-N 437.610 1.528 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 1705641103 QJWZZNBEJNQDAL-LJQANCHMSA-N 445.564 1.731 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccccn2)CC1 1705648398 VNRGGCYVRNSAOC-GOSISDBHSA-N 449.559 1.568 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1705812251 UYSLKCDFLMSDFM-CABCVRRESA-N 442.586 1.958 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1CC 1705836682 BRUNUBWWXAZMCL-UHFFFAOYSA-N 430.538 1.477 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1705909001 ZUHWRMYESGSKKV-INIZCTEOSA-N 440.483 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1705935908 GKXKYLSFAZYDHK-MRXNPFEDSA-N 434.518 1.748 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1710834456 KOZLGNHYBJKCFF-UHFFFAOYSA-N 434.504 1.882 30 10 IDEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1712120505 HTYVQGUJGUKGRY-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1712455285 RXERFOOTSVOMJE-RXVVDRJESA-N 429.525 1.773 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1712531059 QFEARUXCKONWMB-LQWHRVPQSA-N 438.548 1.801 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1712616586 BEBIKYYXTPDDPV-IBGZPJMESA-N 439.520 1.520 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1712711929 DNMHLJGJYCPEBK-HXUWFJFHSA-N 445.524 1.731 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722359006 HWMUXZJIPOAPIC-UTKZUKDTSA-N 432.546 1.741 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1722397149 NUNZACVDHDXPHE-GOSISDBHSA-N 442.541 1.709 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722527675 QOUQJILBTHGJBP-GOSISDBHSA-N 434.585 1.699 30 10 IDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722560676 BMMJEOLQCYHLNH-IBGZPJMESA-N 433.490 1.559 30 10 IDEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722599649 DVYRWACVZQMQHZ-UHFFFAOYSA-N 441.580 1.621 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1727602564 LEVJYLDAAPPFNH-INIZCTEOSA-N 440.483 1.166 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC(C)(C)C1 1740542496 WNIYPWXZZLMSBU-KRWDZBQOSA-N 435.536 1.490 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)COC)c1 1740562086 GGSWUDQUTXXFHI-GOSISDBHSA-N 438.532 1.958 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740573514 DWYAXWNUDKNBCF-ROUUACIJSA-N 435.594 1.726 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949399 FZYFTRRMRWDGIK-JOCHJYFZSA-N 434.585 1.495 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740962234 WNZQAHGFIAFRRA-KRWDZBQOSA-N 441.467 1.580 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1743319174 DMDSGBRABYYWBU-INIZCTEOSA-N 449.533 1.015 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748117554 OOCGRIWVGMPWCY-UXPDKRSESA-N 429.525 1.280 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC(C)C 1748671134 GHEFAWIRCBABCS-IAGOWNOFSA-N 443.639 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1749723663 BINAVINIYZIHHN-SFHVURJKSA-N 447.517 1.292 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749732093 PIUHUQLXQRGBGK-IKGGRYGDSA-N 437.566 1.368 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749738527 OOASRHGNYUMAPQ-CEXWTWQISA-N 448.593 1.602 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1750075036 AMKWCZWHJICKRM-HOTGVXAUSA-N 449.556 1.661 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCCO)CC1 1750384727 LYTOWIDMTFFXDL-GOSISDBHSA-N 438.536 1.375 30 10 IDEE CC(C)N(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1750882731 NGQJHRPQAGPTND-UHFFFAOYSA-N 432.536 1.669 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1751090444 DIDZSMZZRIGCCS-AWEZNQCLSA-N 447.496 1.930 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1760189096 NKPOTVSSZRHCGN-HNNXBMFYSA-N 444.467 1.688 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1760211631 KTVDGNQXJSMMKX-URXFXBBRSA-N 443.592 1.750 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1760250248 XPNJOFUVJYFUGL-RTBURBONSA-N 427.553 1.661 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CCOCC)CC2)CC1 1760270424 XEMZDJLIIONPTN-LJQANCHMSA-N 429.565 1.955 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1760314404 WFBSERHAVVWBSB-AEFFLSMTSA-N 438.523 1.882 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760361749 RGUCUKWJDAVNAO-NRFANRHFSA-N 437.541 1.800 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760375687 UCNZZCRDLIAASC-RDJZCZTQSA-N 449.987 1.551 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760445904 ZASSCYFOCVKDKA-YHEJKZAPSA-N 446.552 1.783 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 1760517767 XTVRZBYYKDOGPL-MRXNPFEDSA-N 433.534 1.266 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760522539 WCVPKBPGAKYRGY-MRXNPFEDSA-N 442.568 1.567 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760526370 MDLXMLXFCMRANV-KRWDZBQOSA-N 426.521 1.525 30 10 IDEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1=O 1766142191 ULUXBBKLMSUHDY-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1766183464 CFDGFPATBONBQT-GOSISDBHSA-N 433.520 1.736 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1767434667 IFPCFJFACZHQRH-IEBWSBKVSA-N 445.545 1.779 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1768301802 AQCIUBIJWDSCLF-INIZCTEOSA-N 443.533 1.018 30 10 IDEE COCCN(C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1769782759 CBFOFMKFZXZYBH-IBGZPJMESA-N 441.536 1.454 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1Cc1ccc(C#N)o1 1770003964 KGIWVPRBAJGTCB-OAHLLOKOSA-N 428.493 1.622 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(O)CC1 1770043453 WGQAWLWIEXDLIR-MRXNPFEDSA-N 444.511 1.864 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1770288118 BIIUFSHNOSEZEP-WMZOPIPTSA-N 431.518 1.389 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCCN2CCC[C@@H]2CO)cc1 1770740469 QRSIDBHICPEJCG-HXUWFJFHSA-N 437.548 1.380 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)OC(C)(C)C 1771189809 YCHSWZSTRUPJFU-KUHUBIRLSA-N 426.493 1.969 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1771352864 QVKDFJQYZWANBT-IBGZPJMESA-N 443.529 1.699 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1771531883 HBUXWIACIUZQNE-AWEZNQCLSA-N 449.393 1.136 30 10 IDEE NS(=O)(=O)c1ccc(OCCSCC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772792227 IPLLSLMWHLLRBW-UHFFFAOYSA-N 436.467 1.200 30 10 IDEE C[C@@H](CCC#N)N1CCC([C@@H]2CC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1853944107 XFRQXNYBNHJMKL-QFBILLFUSA-N 438.594 1.437 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1=O 1856804602 BNCTWGPMIHPEEU-ZWKOTPCHSA-N 430.482 1.722 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 1862631745 SOFIGJWGEDCHLN-IBGZPJMESA-N 425.393 1.757 30 10 IDEE O=C1CCC(C(=O)NC2=C(c3nc4ccccc4s3)C(=O)CN2C[C@H]2CCCO2)=NN1 1873710500 HQWLMYCEMHOQBU-GFCCVEGCSA-N 439.497 1.411 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)CC1 1890146382 XICRQVJWSUXXCA-UHFFFAOYSA-N 427.545 1.606 30 10 IDEE C#CCOC1CCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)CC1 1892138932 MZISGWASNNREQI-UHFFFAOYSA-N 438.546 1.225 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128733176 VUHIHJQDFPYQDX-ROUUACIJSA-N 446.353 1.972 30 10 IDEE COCCN(C)C1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2192531393 RMNBXISSHBEAFT-UHFFFAOYSA-N 426.164 1.910 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)C(N)=O 2247259126 KQCAMPRPXVZYHK-LBPRGKRZSA-N 425.266 1.277 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2247913880 CAKHRDUBQMQBPB-UHFFFAOYSA-N 442.753 1.969 30 10 IDEE CO[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2255545032 JZYATGNNUJYINY-LSDHHAIUSA-N 436.314 1.943 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255608990 DBTPZONRNKUJPV-CQSZACIVSA-N 434.346 1.849 30 10 IDEE Cc1cc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2255613171 ARSLRDNHVHOZJL-UHFFFAOYSA-N 436.314 1.599 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CN(C(=O)OC(C)(C)C)C1 2255695753 KETBRRLVDLMALZ-UHFFFAOYSA-N 435.334 1.101 30 10 IDEE CCC1(NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255826833 SKGNRXQLUMNJJH-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255838693 JYPSBLRRMXWBJD-ZDUSSCGKSA-N 437.350 1.393 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C)CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255844523 XZTXBOQAPZYPKM-OAQYLSRUSA-N 432.330 1.905 30 10 IDEE C[C@H]1[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2256065239 XBJUHQJYEHVZLP-UONOGXRCSA-N 432.330 1.904 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267133127 YLYLMNMJIOTFMD-VMZNBEPHSA-N 446.357 1.705 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267134877 VUSJIFGSGZIZLX-GASCZTMLSA-N 446.357 1.862 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267269010 AUTSXTDPNBAULC-CQSZACIVSA-N 449.361 1.491 30 10 IDEE Cc1cc(C(=O)N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)oc1B1OC(C)(C)C(C)(C)O1 2267515911 VVRNNCLZGGWWHI-UHFFFAOYSA-N 449.313 1.092 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2267599687 TZRIMHXYTAZGBR-QFIPXVFZSA-N 449.357 1.426 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 2267605911 QYEKPXSFQXZOIW-CQSZACIVSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268637854 PJFLNCULXYZJFL-UHFFFAOYSA-N 446.357 1.776 30 10 IDEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 2296617486 SQUSGZHKTMILTI-HXUWFJFHSA-N 441.459 1.983 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)c(O)c1 2330718172 UPOMVNJEQZIJQM-UHFFFAOYSA-N 434.522 1.471 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 434370928 BWYMNALBJTXDDV-JLAWEPINSA-N 447.561 1.853 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 482224471 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440.895 1.330 30 10 IDEE COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)cc1C#N 746872142 HLRUWROEFXALMU-HSZRJFAPSA-N 436.468 1.967 30 10 IDEE Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1NC(=O)c1cccs1 759332041 BWOONYPXKYDZMX-HNNXBMFYSA-N 445.522 1.888 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 760771675 FOZYRAIKFFQFEZ-QFIPXVFZSA-N 436.447 1.208 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 761012409 RLZDNJJIUUFXKU-RDJZCZTQSA-N 425.493 1.544 30 10 IDEE CN1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1 761055459 KCTJNMLRWUJJBY-LPHOPBHVSA-N 432.933 1.940 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 763437236 NFAXLVPHAAZUSG-UHFFFAOYSA-N 442.585 1.089 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 767674909 HEEJWNIAZNJDLJ-OCCSQVGLSA-N 447.435 1.569 30 10 IDEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774171992 KLYCPKKUCUUPKW-SOLBZPMBSA-N 437.537 1.771 30 10 IDEE Cc1cccc(CS(=O)(=O)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 778823370 ADDQASHFEADYDJ-GOSISDBHSA-N 440.481 1.718 30 10 IDEE C[C@@H](C(=O)OCCC#Cc1ccc(CN2CCOCC2)cc1)S(=O)(=O)C1CCOCC1 788086972 QCKLMIKTLSUSCK-IBGZPJMESA-N 449.569 1.786 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)CC2)c1C#N 788115295 UPNYSGMWZJWEPD-UHFFFAOYSA-N 441.435 1.856 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 794222755 MGDBIFVSMDBYKL-RBUKOAKNSA-N 435.509 1.973 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCCN2S(C)(=O)=O)C1=O 795176619 JNUZAFMJKLONGA-CVEARBPZSA-N 438.575 1.568 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN(c3cnc(O)nc3N)CC2)CCCN1C(=O)OC(C)(C)C 797995243 QLJODJLVYKSYNT-NRFANRHFSA-N 432.525 1.759 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1 799088124 VLIDXJVZJCDDBX-OXJNMPFZSA-N 425.510 1.518 30 10 IDEE Cn1c(N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)c(C#N)c(=O)n(C)c1=O 804713558 XQFBWHYWOUTMEK-UHFFFAOYSA-N 427.505 1.529 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C 807717620 IIAWVQZJWGXEDZ-ZQIUZPCESA-N 436.534 1.739 30 10 IDEE N#Cc1ccc(-c2csc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 877697301 FSQQANURYOHYOP-AWEZNQCLSA-N 443.510 1.786 30 10 IDEE Cc1c(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cnn1CCC#N 1136461045 VVQBZCNETZQJBP-INIZCTEOSA-N 432.525 1.598 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)cc2C1=O 1152285409 NUAPAAWJSOJLOW-SJORKVTESA-N 429.473 1.569 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1159047866 RSTSTFVEAMIYGN-MCIONIFRSA-N 438.550 1.922 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CC(c4ccc(Cl)cc4Cl)=NO3)C2)c(=O)nc1O 1180989832 MVOBAWHMJMLYCR-HNNXBMFYSA-N 434.239 1.704 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N1CCN(CC)CC1 1286410656 GKSQWLYLCNEPFK-GOSISDBHSA-N 425.606 1.733 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286466402 GIQAKMBHXBKQAE-VXKWHMMOSA-N 439.560 1.483 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1286489103 FTDJTUBNBFXSKX-UHFFFAOYSA-N 436.516 1.182 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCC(=O)NC2CC2)CC1 1286491417 RDOHHXAMENYNBK-UHFFFAOYSA-N 449.559 1.289 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1286529993 CJXGSWQQCHDJPM-UHFFFAOYSA-N 441.330 1.701 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCOCC2)CC1 1286651403 CQBDFKYARPYHRO-MRXNPFEDSA-N 426.587 1.013 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286788105 QHDOCAPMZOIWRZ-MOPGFXCFSA-N 432.569 1.023 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)CC1COC(C)(C)OC1 1286823008 QQJHOKPYPQBGJW-UHFFFAOYSA-N 449.577 1.700 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286963170 MBTDFJFWMHWJCN-KBPBESRZSA-N 437.957 1.871 30 10 IDEE CC(C)c1n[nH]c(CC2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 1300200911 OEAUAEOECGDEOH-HNNXBMFYSA-N 444.561 1.948 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1300556506 IKKPLGHSHFOVOW-QGZVFWFLSA-N 436.541 1.948 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1OCC[C@H]1C 1300657080 GIBJQZAYQWXKHQ-VQIMIIECSA-N 432.546 1.860 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccs2)n1 1300681173 KZUFAUMLQBBMQK-SFHVURJKSA-N 439.545 1.822 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)cc2OCCOC)CC1 1300696192 VHORDPRCLZSPDL-UHFFFAOYSA-N 449.559 1.816 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCCO 1300806227 RNHQRQORPQUHMK-YLJYHZDGSA-N 439.582 1.156 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301594549 GSLAPGNTJJBNGC-KGLIPLIRSA-N 430.490 1.959 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1301934847 CCRGVBLQDXOENG-UHFFFAOYSA-N 437.548 1.929 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1302486464 HBJPUTVLDHMSGC-OAHLLOKOSA-N 441.517 1.619 30 10 IDEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1303072800 FEDXMUPCKHRVOV-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1303721462 DORAWSOCQLZNOM-KYJSFNMBSA-N 433.509 1.852 30 10 IDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C(C)C 1313618506 COJKSZWEXIIVCG-FQEVSTJZSA-N 433.534 1.513 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCn2ccnc21 1316102040 RMWIKCAWCUTHSU-KRWDZBQOSA-N 426.525 1.541 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1316529147 BERWDQMRPSZXKX-ZBFHGGJFSA-N 443.458 1.160 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C(N)=O)CCCC1 1358951847 OKGCTJQEBSINPH-UHFFFAOYSA-N 449.603 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)Cc1ccccc1 1358968288 GAAXMUZBFNGJHK-UHFFFAOYSA-N 441.495 1.657 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(F)(F)F)CC1 1359034494 SIRGCYHNOCGYHB-UHFFFAOYSA-N 445.449 1.992 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2cnn(C)c2)CC1 1359046602 YFTNWSVJJCJFTF-UHFFFAOYSA-N 431.544 1.925 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1359046622 ZGNNAKNPLMHKFY-UHFFFAOYSA-N 448.571 1.947 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359054265 OYZCRGGOFQGCMD-PXNSSMCTSA-N 441.605 1.628 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359089908 RCFUUWRJLDASPY-OTWHNJEPSA-N 443.552 1.499 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC(C)C)CC1 1359098230 YTWQDLOLRQBUJR-ZVDOUQERSA-N 446.596 1.757 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1NC(=O)CC1(C)C 1359281027 MGFDCSQZJYCWBP-INIZCTEOSA-N 430.509 1.559 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359291336 MNNFRZDVYDYQPP-MRXNPFEDSA-N 449.519 1.475 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1359328590 JCNQBEIYFXETAO-UHFFFAOYSA-N 443.573 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359336433 PVUUNLCOMWXKDR-FUHWJXTLSA-N 434.566 1.978 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCC2CCC(C#N)CC2)C1 1436033696 NDALFTPPWCTDOS-JNKIDDAASA-N 425.551 1.714 30 10 IDEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)cc1 1439973902 UTDKZCFOVMRXRS-UHFFFAOYSA-N 430.482 1.958 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3nnc(-c4ccccc4)o3)CC2)cc1 1441008389 IFNSGLHBFFMUBB-UHFFFAOYSA-N 437.481 1.684 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)ccc2c1=O 1449793788 KNRMCBHONQCTKY-CYBMUJFWSA-N 434.518 1.487 30 10 IDEE Cc1cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C 1457937380 YBPUFFCWLPBBGK-UHFFFAOYSA-N 430.280 1.503 30 10 IDEE O=C1C[C@H](Cc2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cc2)C(=O)N1 1458001665 FLNNMRNSSHGOIJ-INIZCTEOSA-N 435.436 1.410 30 10 IDEE COCCS(=O)(=O)CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1463148870 KDGFZIBNLYIWKK-OCAPTIKFSA-N 433.317 1.677 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC(O)C1 1464759852 KOFLCYUIVSTJBS-UHFFFAOYSA-N 429.521 1.704 30 10 IDEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CC#N)CC1 1465872289 IINWZRAIHHVQEW-QHCPKHFHSA-N 442.516 1.946 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1)c1cc[nH]n1 1466025200 MHBAPTVCDMWYKY-MRXNPFEDSA-N 430.461 1.486 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CCS2 1472274011 UNZMVKTZQIKVSA-GNZRSQJKSA-N 436.555 1.807 30 10 IDEE C=CCOc1ccccc1CN(C(=O)Cn1cc(C(N)=O)nn1)c1ccc2c(c1)OCCO2 1473009524 LSZUIEXJFMMUNJ-UHFFFAOYSA-N 449.467 1.946 30 10 IDEE CN(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1503404259 HUVKVSSBWRBQDR-OAQYLSRUSA-N 429.525 1.714 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1503833012 BASVUPYSXMFGDI-MRXNPFEDSA-N 430.534 1.371 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1504439880 AASGZFSIHYNFEJ-QAPCUYQASA-N 440.504 1.509 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1505316866 HJKHKYMDBDXUJE-ZWKOTPCHSA-N 432.475 1.744 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1505321449 AVDUOCHTBNIJSG-OAGGEKHMSA-N 444.458 1.164 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1507712852 RACBGXYZLUNVHG-CYBMUJFWSA-N 437.426 1.367 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507732902 VBVSWBNIAJQCRX-VGSWGCGISA-N 445.951 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2CCOCC2)CC1 1507740817 ZKGTZJLSXLDTQI-UHFFFAOYSA-N 428.581 1.307 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1507757038 TZYNEYJHWPLJDW-SFHVURJKSA-N 429.546 1.195 30 10 IDEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507836451 LJFKCFYRQSOJRS-XXBNENTESA-N 446.596 1.639 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCC(F)F)CCOC1 1516214442 NPWOGBVIEUICFX-UZLBHIALSA-N 440.495 1.388 30 10 IDEE N#C[C@@]12CN(C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)C[C@H]1CS(=O)(=O)C2 1538308747 RQTXFEDNUYUMFS-ZBEGNZNMSA-N 425.392 1.296 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(C)C 1539013611 JDDMJCSDFVDQFZ-XLAORIBOSA-N 439.582 1.130 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539201572 AMWGNYNTITYMJH-LJQANCHMSA-N 443.573 1.387 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539225826 QFQHLZQBSKRHDN-SJORKVTESA-N 435.575 1.440 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N1CCOCC1 1539252154 ZOYIDPFVRGXTKO-UHFFFAOYSA-N 437.500 1.284 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1539417275 BIQZYMFOENIHLF-UHFFFAOYSA-N 442.539 1.258 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(N(C)C)CCCC2)CC1 1539477813 ZNCNAFSZQXAYID-UHFFFAOYSA-N 436.564 1.575 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(=C)C 1539517273 LDGIMMFGYRRZDO-INIZCTEOSA-N 427.596 1.380 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1539775081 IFOXNDYNUVAYPJ-ZQIUZPCESA-N 433.962 1.415 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1539848747 XWVWBXFCJLXFCM-KRWDZBQOSA-N 430.534 1.276 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1540040168 NXMLHGBRCUGAIG-UHFFFAOYSA-N 447.565 1.324 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1540171206 WSSDJBYXVIESNE-GOSISDBHSA-N 436.582 1.051 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1540909088 XDSMCDHGEWMGPM-BRWVUGGUSA-N 437.566 1.526 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc(OC)c1OC 1542479519 OMDRUSLMOPOVCL-IAGOWNOFSA-N 443.456 1.681 30 10 IDEE CCOCCOC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1544373392 YTQKHDMYFXRFGE-IBGZPJMESA-N 428.489 1.807 30 10 IDEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC 1548369491 JSPBUWJJADDJEA-KRWDZBQOSA-N 434.422 1.870 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1552910727 CPGKAPXMWPWPCL-KRWDZBQOSA-N 444.561 1.745 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)F)c2ccccc2c1=O 1554364582 CSCDTHWLDSMGAD-ZDUSSCGKSA-N 445.430 1.550 30 10 IDEE COCCCOc1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1555505447 NOGVSCHXJXICTP-IBGZPJMESA-N 435.488 1.927 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1555615745 UFSAZIUDWQKVTP-VGOFRKELSA-N 428.537 1.577 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1555690527 RSOWHTCAALQJKQ-HXUWFJFHSA-N 426.521 1.975 30 10 IDEE C=CC1(CC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1556560532 JWTCSKQYLVRHBE-GFCCVEGCSA-N 443.488 1.738 30 10 IDEE COCc1noc(CN2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)n1 1567690085 GTSPMUIBJALYOM-UHFFFAOYSA-N 434.294 1.737 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1570842816 UGRCLRMKFFWSQW-CYBMUJFWSA-N 433.452 1.682 30 10 IDEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1ccccc1Br 1585298045 ZZHLXXQCOZEMLB-VLGSPTGOSA-N 445.277 1.594 30 10 IDEE N#Cc1ccc(OCC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1Br 1586831421 LVOWTGXJVUUBMH-UHFFFAOYSA-N 429.214 1.793 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1589207174 IOGCUPXRJUUOLB-FDDCHVKYSA-N 436.516 1.660 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1594013318 FIYBRVCQQKBENH-MRXNPFEDSA-N 446.577 1.795 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1594963140 RCPMLUDVRNGSBS-IKGGRYGDSA-N 425.555 1.214 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccs2)CC1 1595569958 SCINMJINNPAJMY-UHFFFAOYSA-N 440.577 1.830 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)C1 1595664400 CYYVLEDBDWAIDP-OALUTQOASA-N 432.569 1.142 30 10 IDEE C=CCSCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1595905142 DUKLFWYYHITBPY-LPHOPBHVSA-N 444.623 1.863 30 10 IDEE C#CCN1CCC(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1596610821 XWGNYWHOSOYDAV-UHFFFAOYSA-N 431.334 1.734 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1598234359 FNWWYOVZVQWEPV-OAQYLSRUSA-N 447.488 1.922 30 10 IDEE Cn1cc(C(=O)NCC2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)cn1 1602932396 BLHZPAUBTMBZSM-SFHVURJKSA-N 446.552 1.976 30 10 IDEE C#CCN(CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1611419184 NRXAYOHUAMRKRI-HNNXBMFYSA-N 425.526 1.552 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1613320723 PJTWHGAGZUBSJH-INIZCTEOSA-N 443.577 1.962 30 10 IDEE N#Cc1ccn(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c(=O)c1 1614712627 LOBKXAPCJDTRKM-MHWRWJLKSA-N 426.429 1.712 30 10 IDEE C[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)N1CCO 1627734528 BJNROCXHAOCJNI-CALCHBBNSA-N 436.578 1.199 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 1628547681 IHJFVSRTIDTUEP-GJZGRUSLSA-N 439.310 1.620 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCSCc2cccc3ccccc23)CC1 1630163323 TVEWZLSLNWYPTD-UHFFFAOYSA-N 446.598 1.868 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@H]2CC[C@H]1CC(c1cnn(C)c1)C2 1633095654 XJEOEOVYYMQDRQ-CCKFTAQKSA-N 427.530 1.896 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 1642110915 GYOSMIGHDADAAA-IFXJQAMLSA-N 427.482 1.524 30 10 IDEE Cc1ccc(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)NCC#N 1642915576 DTFCOLHTHXACPG-OAHLLOKOSA-N 449.554 1.734 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)cc1 1643217646 ROONVDBCKGONQQ-CALCHBBNSA-N 434.420 1.541 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)OCC 1643589342 IYRKXHFSJMKISX-HIFRSBDPSA-N 433.933 1.842 30 10 IDEE N#Cc1cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F 1650317192 NWGCZPOBOWJHMR-UHFFFAOYSA-N 448.432 1.888 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CN(c3nccn4nc(C)cc34)C2)cc1 1653825898 WRBIQIHQSJXLLI-UHFFFAOYSA-N 426.502 1.121 30 10 IDEE C=CCOCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1672849088 LJHLNMGIAWNXDL-MRXNPFEDSA-N 439.534 1.975 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC2(C#N)CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1682792051 XTOWVHLNVIWXLY-CVEARBPZSA-N 440.566 1.888 30 10 IDEE COc1ccc(N2CC[C@H](CNC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)cc1 1686855245 ZXURPTNDUHECME-GOSISDBHSA-N 437.548 1.967 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1689892675 KWIMEOCLACPZGD-QGZVFWFLSA-N 446.552 1.844 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCN1CCN(Cc2ccccc2)CC1 1690082809 PGUHSTTYASVFFR-UHFFFAOYSA-N 449.603 1.678 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC=C)CC1 1690119332 ASAOGLURIATFRW-UHFFFAOYSA-N 443.349 1.765 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CCC)CC1 1690136502 GCNXDXFZRMVHLP-DJIMGWMZSA-N 436.582 1.215 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690287918 ADVLAIQDAKGYQZ-INIZCTEOSA-N 436.582 1.483 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCOC1 1690531733 YMZGTQFDGYPYMR-HSZRJFAPSA-N 426.565 1.416 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690715459 LZRVVBPBAWKJSF-INIZCTEOSA-N 445.611 1.007 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1691555052 CKRQCNBRNYHJMF-QFIPXVFZSA-N 433.520 1.735 30 10 IDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)C(C)(C)C 1693506239 AJWJOAYGDXTKCI-UHFFFAOYSA-N 430.578 1.994 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H](NC(=O)CC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696066733 HNTHYZSFNWOASS-OPAMFIHVSA-N 442.520 1.938 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1697044460 CWSCWLJRGFDJAX-LJQANCHMSA-N 438.532 1.927 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C(F)(F)C12CCC2 1698061820 VLEHYBDIXWIXKD-LSDHHAIUSA-N 443.520 1.982 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCOCC1 1705545105 PAOIOMFXKRHOHK-FQEVSTJZSA-N 445.589 1.775 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1705580002 AZNHQSQJMKIWQN-UHFFFAOYSA-N 442.483 1.589 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1705627481 HVBDGKORGYWUAV-CQSZACIVSA-N 433.310 1.521 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@]2(C)CN(C)C2=O)n1 1705631972 UADKGOUTZRUKKI-HSZRJFAPSA-N 448.531 1.301 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCN(CC)CC2)CC1 1705635976 UMEVTTVMLGUAIM-UHFFFAOYSA-N 446.603 1.600 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)CN(C)C)CC1 1705638207 CAWBROLZICCSTD-UHFFFAOYSA-N 427.553 1.349 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1705829313 NEFIVLSVWSTSCD-KRWDZBQOSA-N 426.525 1.693 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1707911060 BUWAQXQZKPYVGZ-IBGZPJMESA-N 448.506 1.663 30 10 IDEE COCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712121870 CGOZGGJGKTUMQX-KRWDZBQOSA-N 438.536 1.495 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1722296523 QZBKOQZQBDZXNE-MAUKXSAKSA-N 433.534 1.126 30 10 IDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1722337183 XJEGBHXPYDBDQR-UHFFFAOYSA-N 430.503 1.771 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722360268 SGQSMRMGWCYLGI-QGZVFWFLSA-N 449.964 1.751 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1722370457 LDDOQMPPSRCYKG-WZONZLPQSA-N 434.500 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1722380751 XDGBBPKHPLCLKW-UHFFFAOYSA-N 426.484 1.530 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@@H]1C 1722417865 WVQAILLWSDIMIB-OPAMFIHVSA-N 429.496 1.735 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCCCC1 1722428334 FLNSGSZUNCDAOV-SFHVURJKSA-N 438.594 1.863 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](OC)C(C)C)CC1 1722435147 CBJZNJNRAWWYNC-FQEVSTJZSA-N 435.536 1.347 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ncn(C)n2)CC1 1722444202 HFKGJIXBZPEMDW-HXUWFJFHSA-N 446.559 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@H]2C[C@H]2C)CC1 1722444345 XQJNKZLUEZYJQX-BEFAXECRSA-N 441.557 1.895 30 10 IDEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722568417 LGCDIJHKUALTNP-OAQYLSRUSA-N 432.546 1.872 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1722681105 GOIAGOAOHZSVMB-QZXCRCNTSA-N 430.596 1.120 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1729562158 DVEGHMPGBIMWLA-GOSISDBHSA-N 433.534 1.779 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@H](C)O1 1730594768 UHJOZPBODIDOJG-PXNSSMCTSA-N 428.537 1.635 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CCO1 1730609028 FZYPPQJZFYBUGT-FQEVSTJZSA-N 437.504 1.786 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1730696419 BRXZTKNWSIXADO-SFHVURJKSA-N 446.577 1.961 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCC(F)F)C1 1731181230 HNGULCUUKHYCGG-QGZVFWFLSA-N 428.440 1.993 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740551030 FNMCLPPSBAJPLH-QZWWFDLISA-N 428.516 1.033 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740596200 WSCUJJLTNODEBO-UHFFFAOYSA-N 428.518 1.224 30 10 IDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740813707 GGZIGOIBQZTXLA-GDBMZVCRSA-N 430.896 1.629 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740880092 CQCRUAHBJOJWEA-HXUWFJFHSA-N 445.612 1.323 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1740951448 ZGJOAFLXXMJJFU-HKUYNNGSSA-N 443.552 1.568 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)C1 1740982581 VDXDZNHUMDRRHH-ZNMIVQPWSA-N 432.493 1.386 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1745885305 BIJUSUUINVOZKR-UHFFFAOYSA-N 436.520 1.682 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1747442265 ACHIGJZGCSEHOZ-INIZCTEOSA-N 441.517 1.161 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CCOCCCO 1747730910 OREKJBQOJRVHQX-UHFFFAOYSA-N 438.488 1.913 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCS(C)(=O)=O 1748774079 RJPGDCZTNCIRLY-UHFFFAOYSA-N 430.328 1.166 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2occc2C)CC1 1748988841 CREKSUAJZFWNMW-SFHVURJKSA-N 426.521 1.259 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2COCCC)CC1 1748989897 DJVBBKPOYGTFMU-OAQYLSRUSA-N 436.560 1.959 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1749038067 NWMRSEKHKUCBAS-QGZVFWFLSA-N 441.623 1.748 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749038867 MJHHWVPZWGKIJU-WMZOPIPTSA-N 448.618 1.349 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1749141185 XCVGXIUGIIFZGX-KGVIQGDOSA-N 449.552 1.800 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749218834 ZCLAQTWPLLPXKE-INIZCTEOSA-N 428.493 1.912 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749256182 WWDBLRCSTWWGEC-ZBFHGGJFSA-N 435.937 1.816 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1749590855 HARKPZCXACPWAM-MRXNPFEDSA-N 435.550 1.487 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)c1ccccc1 1750005661 CQABKBAGXLSPBW-IRXDYDNUSA-N 449.533 1.205 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@](C)(O)c1ccsc1 1751207229 ARZXAUCEKYPYQV-ACJLOTCBSA-N 438.579 1.597 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC(O)CC1 1760104883 IVKGSGFMZHSQRM-KRWDZBQOSA-N 435.536 1.226 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)CC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1760242975 TZLHCWFNBXXRAQ-BCYZHJNNSA-N 425.533 1.685 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1760294366 UWCYZKIAZIVWGO-CKJXQJPGSA-N 436.507 1.577 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760349091 YRHFPCNVPHNQSN-LJQANCHMSA-N 443.552 1.901 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760413158 ZKTGIGGOLJDULD-CABCVRRESA-N 432.612 1.652 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760449611 OOWZNMKQGMDLAW-MRXNPFEDSA-N 446.581 1.699 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760451106 ZWSGBFNUAJCENZ-VQTJNVASSA-N 446.596 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760552341 KRAFIBQNVIEDQE-OXJNMPFZSA-N 435.550 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CCC(N)=O)CC1 1760552636 VRCYUFGQJLZQSE-UHFFFAOYSA-N 432.550 1.423 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC=C(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764141944 NPXRXFBBZJTPOU-ZZEZOPTASA-N 441.536 1.879 30 10 IDEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCOCCS(C)(=O)=O 1764950484 NZISFYAXXNCZAC-SFHVURJKSA-N 433.534 1.351 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)C1 1767251310 DZKMKAVFJDGJLH-MOPGFXCFSA-N 444.561 1.760 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1768972320 BGJQKDLLBCNDGP-NHCUHLMSSA-N 430.484 1.374 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)C1 1770343837 PJYHEEXRPKCGPD-ZWKOTPCHSA-N 436.582 1.584 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1772567344 RRIUTIAZHRZOQC-QGZVFWFLSA-N 436.520 1.691 30 10 IDEE O=C(NCC#CCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1850333349 CHQCLEOAPRLAGK-UHFFFAOYSA-N 445.994 1.254 30 10 IDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccc(F)cc4F)n3[nH]2)CC1=O 1852330927 OICOMGSXLYXBLA-CHWSQXEVSA-N 442.426 1.937 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccccc2-n2cnnn2)cc1 1852634078 IGUIWZBMTPZGQC-LJQANCHMSA-N 434.456 1.471 30 10 IDEE COc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)ccn1 1856327241 UQLRKECCBLKZEF-MRXNPFEDSA-N 425.514 1.582 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2=O)cc1 1856405527 WLIISFMNFLMLGH-UHFFFAOYSA-N 431.901 1.955 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cn(CCO)c(C(=O)O)cc3=O)cc21 1857882637 DTFCQUKEHLLVER-ZDUSSCGKSA-N 442.424 1.100 30 10 IDEE COc1cccc(C(=O)/C=C/C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c1 1866233022 KGWFSJNKHGPIMF-JARZOMNASA-N 447.447 1.834 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CN(C(=O)OCc2ccccc2)C1 1900428807 HFFXQWAOBDPFAZ-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE C[C@H](C#CC(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 1902006125 BBSNITUBNSXPJX-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE N#Cc1cc(I)c(I)cc1[C@@H](O)C(=O)O 2060281455 NHUGVFWFRJJDCA-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 2171817177 IBWCGCSXRPAPMD-QRWLVFNGSA-N 434.493 1.013 30 10 IDEE C[C@@H](C#N)CS(=O)(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2244736279 WEWXJABYBASJCG-AWEZNQCLSA-N 446.570 1.922 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255699296 WODARPMELOYJQR-HUUCEWRRSA-N 431.342 1.919 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2255706876 PEIPDXBUCWUGNA-AWEZNQCLSA-N 436.314 1.633 30 10 IDEE Cc1c(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266992043 OCTQGDRLASWJOI-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267166273 PUHQBGDTYFPHJY-CWRNSKLLSA-N 444.341 1.761 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2267178097 XMMFFJAURCLADB-FVQBIDKESA-N 446.357 1.847 30 10 IDEE CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267179249 NJIVEKBAEBKGOZ-IMJJTQAJSA-N 446.357 1.940 30 10 IDEE Cn1cc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267185467 VPNUDTHLIWIEOQ-HSZRJFAPSA-N 440.353 1.086 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267222564 BVOCTOHYDYBPMT-DOMZBBRYSA-N 441.259 1.910 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267515360 NDZIJTWXTNFXBE-GOSISDBHSA-N 440.353 1.730 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267536891 FQWXMNJSDMUUIP-PKOBYXMFSA-N 441.337 1.823 30 10 IDEE Cc1cnc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267572917 BXUYVQHKHHYHSH-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268638099 HITRNMMQYYIJDY-OAHLLOKOSA-N 449.313 1.776 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCC(F)(F)C(=O)O)cc2Cl)OC1(C)C 2284412018 RBPBENAHXKJGBQ-UHFFFAOYSA-N 431.675 1.699 30 10 IDEE CCOc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1 2293143525 KKHIBYJRFPWCEZ-JOCHJYFZSA-N 444.509 1.630 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)[C@@H](CC(N)=O)C1 2320262103 XUBNHYFTHBEGBX-AWEZNQCLSA-N 437.346 1.936 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2329013360 ANYYYMFIMBLJOA-ZDUSSCGKSA-N 431.478 1.370 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2OCC)CC1 24709723 RRCNSNDGWSJLDO-UHFFFAOYSA-N 446.367 1.456 30 10 IDEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cn1 59311916 BJYZUQZHYMHRKM-UFWORHAWSA-N 428.478 1.969 30 10 IDEE C[C@H](C(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)n1cnc(C#N)n1 409467486 ATEYBSDFWATRIT-MRXNPFEDSA-N 434.479 1.888 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 446186929 BLZGHBKNSRWGAK-UHFFFAOYSA-N 431.456 1.979 30 10 IDEE CN(C)C(=O)CCN1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 470546111 KCLLIENZNAQCBC-UHFFFAOYSA-N 440.548 1.897 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(=NC(=O)C(=O)N=c2cc([C@H]3CCCO3)[nH][nH]2)[nH]1 472984764 GZWAMIIJSLXWFH-OAHLLOKOSA-N 425.836 1.393 30 10 IDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1ccnn1C 489886639 MQCVANBBCDQZOD-OAQYLSRUSA-N 428.512 1.417 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1 503208595 UUDHLLJCXAMFHH-UHFFFAOYSA-N 437.523 1.746 30 10 IDEE CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCN(C(=O)CC#N)CC1 503629121 OTNKGOKXLBRQKE-IBGZPJMESA-N 439.541 1.671 30 10 IDEE Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCN(C(=O)CC#N)CC2)c(C)c1C 503640640 BRDPOVWYSMTNOX-UHFFFAOYSA-N 434.562 1.482 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCN1CCOCC1 523257799 LGHVLXIFRGDIHW-OAHLLOKOSA-N 445.610 1.730 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)OC)C1 549248325 PLMHUZQGFZNZTK-INIZCTEOSA-N 433.534 1.771 30 10 IDEE CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 558145526 AHZDYJNJNIGPLU-KBPBESRZSA-N 442.549 1.862 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1CCS(=O)(=O)C1 729332835 ZJEIKMCANOYAHP-BBRMVZONSA-N 439.331 1.451 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730142881 QELCXQCZNWLENK-INIZCTEOSA-N 439.969 1.476 30 10 IDEE Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 731901711 JGKGKHGUORSOLB-UHFFFAOYSA-N 427.530 1.583 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccccc3)c2=O)cn1 735068885 HMUKHLMCNSIHHT-UHFFFAOYSA-N 449.580 1.840 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 746292511 ODFMBXWAGWQIEQ-GUYCJALGSA-N 433.452 1.666 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CCOC 755043623 ZBSQYKKDCLDLCK-UHFFFAOYSA-N 440.550 1.280 30 10 IDEE C#CCN(CC(=O)O)C(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 757324404 QLSVHAIHTFBNPN-UHFFFAOYSA-N 449.463 1.188 30 10 IDEE C#CCn1c(=C(C#N)C#N)sc(=Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)c1=O 758050277 PRWNDNFWVDTHJZ-UHFFFAOYSA-N 432.505 1.867 30 10 IDEE CC(C)N1C(=O)c2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2S1(=O)=O 760791785 JEPQLWWAUGTANR-UHFFFAOYSA-N 439.497 1.469 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2ccc(Br)cc2)C1 782948525 JYWSGXYMFSIULP-MRXNPFEDSA-N 427.343 1.559 30 10 IDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 787057055 SONXNLOFCTZXBE-WMZOPIPTSA-N 427.461 1.848 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 793020603 LZFVRRZNWLZFHP-BDAKNGLRSA-N 433.412 1.976 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2nnc(CC(C)C)s2)cc1 798148527 FYNVSGJUOIQSEK-UHFFFAOYSA-N 449.558 1.359 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)C1=O 798545987 LPCYFVFMGKEHKT-OPAMFIHVSA-N 428.489 1.016 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=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)c1 800429063 CXRWCXMEQHLIJQ-HQZRKZPYSA-N 425.510 1.765 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 803133398 WSWGVGHBUZAHPF-INIZCTEOSA-N 430.505 1.946 30 10 IDEE CCc1noc(C[C@]2(O)CCCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)n1 856711450 WZOTYXSWAUONLG-OAQYLSRUSA-N 428.493 1.613 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1F 919075932 ZBHLXWXNKMHMJU-DLBZAZTESA-N 440.493 1.617 30 10 IDEE CC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccncc1 1084435383 CLGNKXDXHXFBFN-UHFFFAOYSA-N 446.518 1.414 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCN3C3CCOCC3)C2=O)cc1 1134307673 QIFYVSVDGLOLRI-MOPGFXCFSA-N 425.489 1.133 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1136518216 BBRAOVBJASEZBT-INIZCTEOSA-N 431.493 1.659 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)c1 1136546242 ALEDXCQDOHDUNI-HZPDHXFCSA-N 443.447 1.958 30 10 IDEE C=CC1(CC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CN(C(=O)OC(C)(C)C)C1 1144904013 FICWDQSNZGSFBA-UHFFFAOYSA-N 427.498 1.903 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1146221271 OYWADOUDWCBGNV-QGZVFWFLSA-N 436.530 1.587 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1148701330 SZDAXFZOXVFFMN-INIZCTEOSA-N 442.541 1.503 30 10 IDEE N#C[C@@]12CN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1178757789 VJISRZAZYISALP-LRDDRELGSA-N 428.919 1.043 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2CC(=O)OC)C1 1194689973 CXIUTNFPEOTLQR-OAHLLOKOSA-N 429.336 1.541 30 10 IDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1)C(C)C 1220600917 YANOUCQFRQBUGF-SFHVURJKSA-N 428.585 1.861 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(O)(c3scnc3Br)CC2)C1 1255364105 OLQKMGHUSYELON-CYBMUJFWSA-N 427.368 1.996 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286358841 QPDSBIBXLCKYBC-QGZVFWFLSA-N 427.509 1.600 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1286387351 QDRZYOGOUBMJNX-OALUTQOASA-N 442.589 1.841 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1286387610 GXAGZCCXCVSQNT-KRWDZBQOSA-N 428.518 1.678 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1286392155 AYFPZLVRYXUPND-IAGOWNOFSA-N 430.530 1.618 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C)nc2)CC1 1286488904 XRKRNRNLFBJVFO-GOSISDBHSA-N 440.548 1.720 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCOCC(F)F)CC1 1286490115 LPCZWSIKMVLYOY-UHFFFAOYSA-N 432.475 1.978 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286507749 DHXOQVZBNSDXCZ-QGZVFWFLSA-N 426.546 1.480 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286568436 WQXLGGMBICBQMM-APWZRJJASA-N 441.598 1.704 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286606367 NSVFYBPTXYNOSS-GOSISDBHSA-N 436.520 1.415 30 10 IDEE C=CCCOCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1286713941 ILUWMILIQFHRLR-YUXAGFNASA-N 436.553 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286779667 LJMDJUGHYUXJSZ-DOMZBBRYSA-N 437.342 1.555 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1286793986 RJOIYLCWAKTVGS-JFIYKMOQSA-N 432.569 1.461 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@H]21 1286831417 DQHNIHQSLYOCSF-BBWFWOEESA-N 441.623 1.909 30 10 IDEE CC(C)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1288003547 BYSDJUBISCYAMJ-VZCXRCSSSA-N 427.553 1.993 30 10 IDEE CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1296132259 AFGDTBWTZIVYBZ-AUSIDOKSSA-N 442.612 1.557 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1300381831 WLFGZKVDRRIUNU-DNVCBOLYSA-N 425.555 1.076 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1300398912 IDPTXYPURPUBEI-RTWAWAEBSA-N 447.495 1.600 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1300499048 OUQXYRUHPWCQGL-LJQANCHMSA-N 439.545 1.096 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1300764479 WQVODLYVUMYMRZ-MAUKXSAKSA-N 427.530 1.859 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301152490 ZCPGLJLBUYWLMM-KRWDZBQOSA-N 432.569 1.558 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1301490531 ADCXIVBMQOJQRT-UHFFFAOYSA-N 448.531 1.763 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1301500914 QXXSFADSOWBCFS-MRXNPFEDSA-N 431.566 1.171 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(C)(=O)=O)C1 1301556020 FBMFJALEQQBLIS-MAUKXSAKSA-N 434.518 1.617 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCOC2)C1 1301566590 REAHFNFWRHRRSF-YWZLYKJASA-N 433.534 1.202 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1303376396 CXZAPTHTXRXXRE-ZPHPHTNESA-N 441.536 1.713 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(C(C)(C)O)c1 1303805220 YEZBMYZUWRVWIG-CABCVRRESA-N 434.566 1.902 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)cs1 1304676536 YCRFKPVRCNIIAA-KRWDZBQOSA-N 429.550 1.765 30 10 IDEE COc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccc(C#N)o2)c1 1315560583 SVKBGIPXQOKABK-UHFFFAOYSA-N 436.472 1.937 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)COCC(=O)OC(C)(C)C)cc1 1354360083 FZDWZKXPLUEFFG-PGMHBOJBSA-N 425.507 1.796 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1358930215 QBPCFQBWBUPOAQ-LJQANCHMSA-N 442.564 1.136 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2)c(F)c1 1358967761 RHQJJXFIGIGEDF-UHFFFAOYSA-N 431.475 1.960 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1358973766 FCLPXFOIJIIXPE-UHFFFAOYSA-N 443.515 1.396 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)CC1 1359036551 ZEPLRVLETAMYME-QGZVFWFLSA-N 449.527 1.456 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)COC)CC1 1359041898 LTXCQHAUVJJSEY-JPYJTQIMSA-N 447.580 1.567 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359056900 NMQMULBTRMIWEJ-JKSUJKDBSA-N 439.607 1.042 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359083856 SNNYPLXNCMNHOQ-KBPBESRZSA-N 425.331 1.637 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)COCCO1 1360837243 NZJVLEUUKJMVAY-FXAWDEMLSA-N 431.518 1.246 30 10 IDEE C#CCN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)[C@@H]1CCS(=O)(=O)C1 1435069877 TVEWSKXZHFMYAG-HIFRSBDPSA-N 426.288 1.180 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccc1C#N 1440435192 MKLYYEHVSWCQPI-UHFFFAOYSA-N 430.442 1.622 30 10 IDEE CN1CC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)[C@H]1c1ccc(Cl)c(F)c1 1447099760 DTYUGOCCECQHRT-FZKQIMNGSA-N 433.871 1.812 30 10 IDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1458022722 KHYJWRDCVKORCD-FVJLSDCUSA-N 433.530 1.519 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCCCO)CC3)CC2=O)cc1Cl 1465978881 QUQULJGIXOYWSE-INIZCTEOSA-N 432.908 1.302 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H](O)c2ccccc21 1473851176 YLNORXGCOWSZHB-CBJWQOIJSA-N 433.530 1.714 30 10 IDEE N#CCc1ccc(OC[C@H](O)CN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1473889175 QUGNOXMPTXHYSC-NUJGCVRESA-N 432.464 1.934 30 10 IDEE CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCC1 1475304441 AAEBUUXRWKMIHF-OAHLLOKOSA-N 434.971 1.445 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)CC2CC2)n1 1492742551 FAWUVQUHLLEQPY-UHFFFAOYSA-N 431.566 1.705 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCSC1 1503108119 CMTDZULKNSYXQD-HZPDHXFCSA-N 428.566 1.944 30 10 IDEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCC1 1505148151 FZJHULQAYGLQCX-HKBQPEDESA-N 442.545 1.356 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507632701 PFNKVDFQYSUUNN-MOPGFXCFSA-N 444.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCOC 1507644333 FSVYOCDTGLGPOL-NRFANRHFSA-N 430.530 1.209 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1Cc1cn(C2COC2)nn1 1507676487 MMNURGKCJPXVLM-UHFFFAOYSA-N 435.463 1.670 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccnc1N1CCOCC1 1507710357 OAPVJZLONNUMPG-UHFFFAOYSA-N 434.504 1.101 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1507731531 KUIGNOAXMCJJPX-HNNXBMFYSA-N 435.454 1.589 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1507738788 YTEICLVNKAEEMW-HKUYNNGSSA-N 425.537 1.460 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507763135 OFLBMCQKZIXWCQ-NHCUHLMSSA-N 430.530 1.495 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1507789644 GVQRIURBAUSLKL-CYBMUJFWSA-N 426.315 1.699 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)F)CC1 1507791507 MTJSBKGTJSMGEO-NVXWUHKLSA-N 426.512 1.785 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507800830 QBZSAXHYAGCDIT-FXRXJOCMSA-N 428.493 1.077 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1508040818 BQNLIRDQRQUBNZ-JKSUJKDBSA-N 440.504 1.773 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(N)=O)CCCC2)C1 1508116346 RLIVSUJKITZNEG-JTSKRJEESA-N 433.553 1.757 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1516952138 AZUDQEMUBCQWHZ-UHFFFAOYSA-N 437.504 1.764 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1516987960 CZOIWAXOQQULCR-UHFFFAOYSA-N 429.435 1.398 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC2CC2)cc1 1518333647 CQSPSIRODAMDDZ-GOSISDBHSA-N 426.477 1.121 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1518519973 WVLAXDITDDCPFA-RTWAWAEBSA-N 428.468 1.786 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1=O 1519603009 LPIUWYFAVDODNB-INIZCTEOSA-N 447.333 1.765 30 10 IDEE C#C[C@H](NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 1525055240 ZIJQGYFLJMHESE-WVEZFXTKSA-N 431.286 1.791 30 10 IDEE CC(C)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1COCC12OCCO2 1528591006 SRVZCEORKCGULY-SFHVURJKSA-N 436.530 1.910 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539212117 RVTBNWGZXJZLGG-QZTJIDSGSA-N 429.546 1.926 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539216747 WQRFKUUQMMGVLB-ZWKOTPCHSA-N 430.578 1.632 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSc2ccccc21 1539395873 JUCVZVMETIXYKN-HZPDHXFCSA-N 449.602 1.864 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCCC2)CC1 1539431242 RYISIMOYBQTVLS-QHCPKHFHSA-N 430.597 1.560 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NCCC)CC1 1539482482 TYLIMOMKRNCNMH-SFHVURJKSA-N 430.553 1.054 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1540004700 DSYXVMWMDKTTIZ-OTWHNJEPSA-N 437.610 1.693 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1540037332 ILJCFBYAJKFEEU-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)C1 1540882206 DMFBTAXAFKNQRG-GDBMZVCRSA-N 436.538 1.122 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540897372 HSYOIOQBJOBUJR-QGZVFWFLSA-N 449.581 1.364 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540915819 OIDYFMXNJVIGMI-ZWKOTPCHSA-N 445.593 1.867 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1554286692 HESXCYFAZNWUAY-LJQANCHMSA-N 445.545 1.945 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)n1 1556461350 XTWGOKDERZEHKN-JOCHJYFZSA-N 434.537 1.643 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1557251423 CPCLKLNYHMDAAE-XUJVJEKNSA-N 446.451 1.283 30 10 IDEE Cn1c(=O)c2ccc(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)cc2n(C)c1=O 1558454928 HTPHSVCNHLGWCS-UHFFFAOYSA-N 440.500 1.826 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)OC)cc(OC)c2O)s1 1558678103 QYZGDYFJADBPJF-UHFFFAOYSA-N 440.499 1.894 30 10 IDEE COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1561104958 FMNIAVDZZNQTIM-UHFFFAOYSA-N 428.514 1.915 30 10 IDEE COc1ccc(N/C=C2\C(=O)Oc3ccccc3C2=O)cc1-n1nnnc1-n1cccn1 1565518444 BQFVIDZFWJAOLK-QINSGFPZSA-N 429.396 1.954 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)n1 1568526620 HFSZUTOLRFGGBN-UHFFFAOYSA-N 430.530 1.324 30 10 IDEE O=C(CSc1ccccc1C(=O)N[C@@H]1CCN(O)C1=O)Nc1ccc2c(c1)OCO2 1569560959 NOVSYOGCLKLIRN-CQSZACIVSA-N 429.454 1.866 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 1570674020 PVBDKJZWHRAABR-CQSZACIVSA-N 427.482 1.597 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ncc4c(n3)CCOC4)C2)C1 1583693882 WHMIPZMEAXQHGF-RPYGNYITSA-N 427.505 1.952 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1587621403 TYBAJCCPUXRKQK-HUUCEWRRSA-N 440.529 1.085 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CC[C@H](CO)O2)c1 1587690027 XEJULFZKTPRRQF-VQTJNVASSA-N 448.527 1.880 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cccnc1 1588628319 GXJYPFRBQLIUGE-UHFFFAOYSA-N 443.511 1.916 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1588628972 RYCKXQVZAJHFPM-HSZRJFAPSA-N 436.516 1.439 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCO[C@H]2CCOC2)CC1 1588930260 RDIQBSSLHDLRTC-PMACEKPBSA-N 445.564 1.681 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2O)C1 1588975319 GIGPCCOULGJFLN-UHFFFAOYSA-N 435.513 1.955 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1589662923 DTSIONZRECZRJO-GOSISDBHSA-N 438.598 1.275 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 1594784291 VZQUFKUCSFKGQR-UHFFFAOYSA-N 427.509 1.577 30 10 IDEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1594825449 ZZXNRALJFAWUMD-SFHVURJKSA-N 426.521 1.972 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1594963908 ZNGQIPICKPBOAQ-LJQANCHMSA-N 449.577 1.989 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1595465961 BTMCSHWJRPOAOA-SFHVURJKSA-N 437.504 1.168 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1595800040 GFPDNZQUDKWACD-KRWDZBQOSA-N 436.530 1.419 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC1Cc2ccccc2C1 1611710505 AWBQMEWBZKTUGZ-HNAYVOBHSA-N 444.561 1.422 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1614957936 HJYCOBUHMJBLEM-IBGZPJMESA-N 439.520 1.074 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615880685 MWGHIOLFTMHLQU-CNNODRBYSA-N 433.576 1.888 30 10 IDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)n(C)c2)C1 1618006999 BUOWKPUNRDYFDH-AWEZNQCLSA-N 434.518 1.495 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1619553320 LRIHERFWGRKWAB-UHFFFAOYSA-N 439.520 1.074 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1620025389 PNHCFOOZVONJRF-MOPGFXCFSA-N 448.568 1.376 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(CC(=O)NCCO)cc1 1622837278 GVPVSKPORBVQPT-UHFFFAOYSA-N 432.274 1.989 30 10 IDEE CNC(=O)CN1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1629453695 GSHNOCJHWKUUIM-BXFSZVDSSA-N 433.553 1.100 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Nc2ncccn2)C1 1630960916 HLZNXIRSKOTYTN-MRXNPFEDSA-N 442.545 1.789 30 10 IDEE CCOc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1634497014 YZWBAQPWTLFODE-UHFFFAOYSA-N 443.529 1.635 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1634554678 GISLRFPOMYXQME-GOSISDBHSA-N 443.573 1.283 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1635488826 YNNINQSBQKSHLQ-HXUWFJFHSA-N 430.486 1.444 30 10 IDEE C=CC(C)(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1638957952 BUHMLFGOFAAXBB-UHFFFAOYSA-N 443.591 1.453 30 10 IDEE COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639821480 FUTHZIWQJULJQV-AVBTWRTFSA-N 449.529 1.658 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc(S(=O)(=O)N3CCCC3)ccc1O)C2 1639989553 XZLOGTMXSLGKOX-UHFFFAOYSA-N 432.527 1.891 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 1641564295 LYPIQPHWXHKVKP-UHFFFAOYSA-N 440.525 1.970 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](CCCO)C3)nnc12 1641641462 MVIUCVOXIQHLAC-OAHLLOKOSA-N 427.530 1.943 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1663918777 IODKQJCGXINPIJ-CABCVRRESA-N 445.463 1.634 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1672353949 UGWCMILARLOWKB-BEFAXECRSA-N 437.422 1.369 30 10 IDEE N#Cc1nc(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)ccc1Br 1673983415 CYMQRWSCYMWKGH-SECBINFHSA-N 445.320 1.734 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 1684350637 FLCGAZFPRKIQTF-OAQYLSRUSA-N 438.507 1.825 30 10 IDEE C[C@@]1(C2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1686084086 HNJNBMMDELELOV-AVRDEDQJSA-N 425.489 1.974 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCOC2)c1 1689871975 KNGYHVCVTIFWQB-DEOSSOPVSA-N 446.511 1.472 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689980422 RIBZUJVFIOQSGR-FQEVSTJZSA-N 443.573 1.407 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689981767 AVICNNKMFZYRHV-LXGFNABISA-N 436.578 1.774 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)C1CCCCC1 1690003067 BUWNRQVXNQUTCN-QHCPKHFHSA-N 427.549 1.794 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCOCCS(C)(=O)=O 1690005939 FGRCUVDJYWHJSH-UHFFFAOYSA-N 426.498 1.825 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCCC1=O 1690101022 LDXRFSHXIYGDKU-UHFFFAOYSA-N 445.527 1.992 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCN2CC)CC1 1690113325 GSDCKEHFNDNJRH-ZJSXRUAMSA-N 444.624 1.948 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1690174829 KSCMCOZWRYAEKL-DLBZAZTESA-N 441.623 1.604 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1690205974 DGNPDJXMKIXYQE-TXPKVOOTSA-N 440.591 1.140 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690316420 DDMNNULZQGHZBE-UXHICEINSA-N 446.596 1.540 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690463125 VUNYJTQZZLBXSZ-GOSISDBHSA-N 429.569 1.330 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1690577284 FVELGWMIFUIHAO-HNAYVOBHSA-N 438.575 1.586 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1690673543 XGWMAHRMOHRFEZ-UHFFFAOYSA-N 439.564 1.115 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1CC1 1692792112 CFJIDHAIOAIVCK-OAHLLOKOSA-N 444.565 1.282 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1698461821 ASIKHVUMNZLXEQ-LTDXQCTPSA-N 430.509 1.312 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCS1(=O)=O 1705482219 VEZFWUHBFSTZSG-HNNXBMFYSA-N 433.534 1.456 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705499989 CYDCWJNEUMLHOL-ICSRJNTNSA-N 440.596 1.540 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1705593825 JZCHBLFNLOYJMV-UHFFFAOYSA-N 443.598 1.787 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC(=O)NC2CC2)CC1 1705648369 SEQMZUHUQIGCFC-GOSISDBHSA-N 442.564 1.197 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705725896 WZLIVBKQKJHJAC-HOTGVXAUSA-N 442.549 1.133 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705732640 GOCPWFSPTRAXLI-KRWDZBQOSA-N 434.566 1.698 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705829632 YAEIMODKNOANTP-RBUKOAKNSA-N 431.585 1.038 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705900715 NDESGGRXMIGMRI-HNNXBMFYSA-N 426.506 1.380 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1711203827 OBJJDPNTBOXFPQ-GDLZYMKVSA-N 449.602 1.989 30 10 IDEE CS(=O)(=O)c1ccc(OCCn2c(C3CCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1712686100 FPHRRLAGRQXHJW-QGZVFWFLSA-N 431.518 1.757 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722282338 CGFARBQSPGQAMI-ULQDDVLXSA-N 430.532 1.220 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCn1cc(CO)nn1 1722418498 SMCAGMIPYZPDGL-UHFFFAOYSA-N 447.478 1.688 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCC1 1722420148 GIRXSJMQZRXBTG-UHFFFAOYSA-N 445.589 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CSCCS2)CC1 1722430663 HXTGLRXHFSHDHU-IAGOWNOFSA-N 425.624 1.606 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(OC)OC)c2)CC1 1722437321 RKPXMQBDPCMSDR-LJQANCHMSA-N 438.532 1.324 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1722502418 UPZIKHJTEDDARD-MRXNPFEDSA-N 444.565 1.920 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722505361 KBSWEMLBOJUACX-GGPKGHCWSA-N 426.521 1.663 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722675655 QNXGHGQNQFMUCZ-KNQAVFIVSA-N 446.573 1.914 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722680055 VGJZIHRBVLQFGB-MJGOQNOKSA-N 438.532 1.921 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCC(C)C)C1 1722727435 OMSZTYUJWQAMGE-HOTGVXAUSA-N 425.555 1.081 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1723074425 HYZWHFRORPEOBT-SFHVURJKSA-N 437.504 1.620 30 10 IDEE C[C@@H]1CCCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1726575230 APEDYUXTXQDHMJ-RTBURBONSA-N 429.569 1.755 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC=CO1 1729064917 FCSQKJVPBLXRHS-QGZVFWFLSA-N 426.525 1.748 30 10 IDEE Cn1cc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cn1 1729572568 ZIZJOHCCXWBOQJ-QGZVFWFLSA-N 429.506 1.595 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740572121 ZWCSJVSLPJDZDV-YZGWKJHDSA-N 441.580 1.022 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CCC)CC1 1740693412 XUFJBGXVYRONLJ-NZQKXSOJSA-N 430.597 1.560 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1740773842 FHXJYXHWAQYAAT-SFHVURJKSA-N 439.626 1.818 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1740857697 AGVHXMGBPTZMQS-MRXNPFEDSA-N 426.587 1.549 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 1744988199 CQRDHLAQHMTAJO-QGTPRVQTSA-N 437.504 1.809 30 10 IDEE CCOC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1746556499 DGVRBYQWFSXNHP-HTXNQAPBSA-N 443.508 1.351 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1748673216 ZRJNHRRMWDULNF-GSHUGGBRSA-N 425.537 1.450 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748812356 UAJNJRVATZJLGF-IBGZPJMESA-N 444.605 1.786 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C(C)C 1748950497 LSEBKDBRQYPIOB-UHFFFAOYSA-N 437.342 1.894 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1749039268 RVWUTUZBMVNJKQ-NVXWUHKLSA-N 436.559 1.718 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)CC1 1749258968 GUUIXYQLDZVHLQ-INIZCTEOSA-N 425.537 1.498 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749368075 AINBMMWCNOJCHI-JKSUJKDBSA-N 436.582 1.339 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749681776 IOWHBCGNKXVSTD-HRCADAONSA-N 448.524 1.214 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCC[C@@H]21 1749721924 WRVAMXHQZWJKBS-CVEARBPZSA-N 430.534 1.905 30 10 IDEE CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750041825 MZUGOQSAIXSGAJ-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1750385841 BMZLJPVJVILMKU-AEFFLSMTSA-N 428.468 1.009 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760095451 PFRHXJPLYZCWAH-GHTZIAJQSA-N 436.560 1.587 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1760097228 BWCCTHGSEWREMA-VXGBXAGGSA-N 444.359 1.005 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1760152450 MLYTWRXDNOAJPV-QHCPKHFHSA-N 433.516 1.790 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccnc1OC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760180358 CRFSDDXARQRBAP-GOSISDBHSA-N 429.546 1.978 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1760198956 RJVVPZJHSBDGBJ-UHFFFAOYSA-N 426.329 1.874 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1760201930 NRWOVHYUSIBVGZ-UHFFFAOYSA-N 426.427 1.547 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2(COC)CCC2)CC1 1760268096 CDTPJZDZLYBPAJ-SFHVURJKSA-N 442.564 1.402 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)CC)CC1 1760271570 CKTPEORRVZJMJH-XMMPIXPASA-N 449.559 1.643 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1760306155 CPZOEPQSOSRPKI-STQMWFEESA-N 447.359 1.258 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1760314407 WFBSERHAVVWBSB-WMZOPIPTSA-N 438.523 1.882 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1760464464 IBRYKVMWJSFPHK-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760526091 DERWWNFOKVELSL-GOSISDBHSA-N 440.548 1.833 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc(Cl)cn2)C1 1760535227 NJJKENYPUXPFCC-UKRRQHHQSA-N 443.961 1.220 30 10 IDEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1762909462 ALTWHCJBNLHXEX-YJBOKZPZSA-N 437.504 1.953 30 10 IDEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1769715039 ZWHXJFRZSCRIMS-YJBOKZPZSA-N 448.549 1.374 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)OC)CC2)n1 1770548568 UQJCBTCAGNVXJM-INIZCTEOSA-N 434.504 1.977 30 10 IDEE C[S@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1771369939 UXNQIWRBXSRKLW-JTBPQFFMSA-N 430.490 1.883 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CC2)cc1 1850559773 NCADUWNKOFWRSD-UHFFFAOYSA-N 430.512 1.985 30 10 IDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CCCOCC2)cc1 1851612228 PIOMRWROAPQYGT-IBGZPJMESA-N 449.479 1.975 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cnn([C@@H]3CCOC3)c2)cc1 1852775054 ORHVFOWIBCPEIF-TZIWHRDSSA-N 426.473 1.653 30 10 IDEE CN1C[C@H](CO[C@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)OCC1=O 1853360675 DGXUNEYJCSIYFK-RTBURBONSA-N 444.509 1.653 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2c(F)cccc2Cl)C(=O)C1 1853947880 FMBCOQKOTCUEKY-UHFFFAOYSA-N 435.864 1.953 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004729 JEDWHGWSUJFMAS-INIZCTEOSA-N 446.489 1.977 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCN(C)C 1870539113 WYKMKGROMWFIQG-UHFFFAOYSA-N 428.533 1.872 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1891951970 XZROAJMUQWYFPG-ZBFHGGJFSA-N 435.440 1.500 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@]2(CO)CCCN2C(=O)OC(C)(C)C)[C@H](C#N)C1 2022801564 LABTVIGWGUDOCB-VFNWGFHPSA-N 438.525 1.720 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCO)cs1 2121170273 QVDDNWKKJXKEQC-AWEZNQCLSA-N 432.523 1.759 30 10 IDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124538600 LHTJMFQHOHTUHE-OAHLLOKOSA-N 449.361 1.559 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255608753 ALOOBGUHLBJMRP-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844013 PDOBJHHOKJWGOS-UONOGXRCSA-N 432.330 1.666 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255861182 AGQHXEZDJYXKST-DGCLKSJQSA-N 429.248 1.986 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1 2267177503 OMDVHEDLRATTGA-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE Cn1cc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267526478 SOZOZDQCDPNWDT-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267539078 YAVROGDSIWAWMK-WMZOPIPTSA-N 439.369 1.612 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873493 PUYPEZHVBAGLSE-ZIAGYGMSSA-N 448.329 1.188 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268642510 GNHRJKBXUNUACK-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CC(COCc4ccccc4)(C(=O)O)C3)[nH]n2)OC1(C)C 2269023458 VSJOCSFRNOABAP-UHFFFAOYSA-N 441.293 1.453 30 10 IDEE C#CCOc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2286029689 QFYHQMIGBNDYAQ-SFHVURJKSA-N 432.454 1.820 30 10 IDEE CC#CCN(CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)C(=O)OC(C)(C)C 2300546006 SMAOIWXUKLYQFQ-DLBZAZTESA-N 439.553 1.981 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2303308160 MKQBLRCHXGANOX-SLFFLAALSA-N 427.549 1.820 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2367830037 FSVHKOAPLGPNCR-KNQAVFIVSA-N 434.558 1.709 30 10 IDEE C/C(=N/OCC(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCO2 15934698 LZJPWKQUPMIMHG-RTNLCPHNSA-N 427.413 1.825 30 10 IDEE C=CCNC(=O)N1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(OC)cc2)C1 34692217 GRMVNANVCKBKHS-OAQYLSRUSA-N 446.548 1.066 30 10 IDEE N#CCC(=O)N1CCC(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 219542775 IJTZCILMELFNJD-UHFFFAOYSA-N 447.289 1.314 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(CCO)[C@@H](C)C3)c2)c1 427426142 ADTGIZUWHXGLGV-SFHVURJKSA-N 449.507 1.337 30 10 IDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443341354 FBAXQTOXVDWOHQ-UHFFFAOYSA-N 441.532 1.467 30 10 IDEE CSc1nc(O)c(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1C#N 476905666 KMBIHZFWMISZSE-UHFFFAOYSA-N 447.542 1.569 30 10 IDEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 480756656 KOLIKKXJWGKPPV-MOPGFXCFSA-N 425.576 1.760 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c(F)c1 481048173 KIPLTKMEJCTOOX-UHFFFAOYSA-N 431.493 1.414 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(C[C@H]2CCCO2)c1=O 505701018 UALSCIMGGJNCKD-QGZVFWFLSA-N 440.569 1.783 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 508478911 VCCWXAFXQMTNSI-MRXNPFEDSA-N 433.534 1.593 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 508823014 APJDEKODZWDJBB-IRXDYDNUSA-N 425.555 1.192 30 10 IDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508937359 CBDUTDJGTWMSGQ-OAHLLOKOSA-N 438.492 1.584 30 10 IDEE Cn1c(=O)oc2c(NC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cccc21 511101921 VJCNICWKPIWMET-UHFFFAOYSA-N 441.469 1.542 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 514329475 HGRBMHFFOXLAGE-KRWDZBQOSA-N 441.528 1.790 30 10 IDEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCN(c2ncccc2C#N)CC1 532758270 CUGNQCMOEYPYKI-HXUWFJFHSA-N 448.571 1.612 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 543967690 KGNZGKOEIGLVNG-MRXNPFEDSA-N 436.451 1.929 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)C3CN(C(=O)c4cccc(Cl)c4)C3)CC2)n1 545476217 PUXXZIRLQMXCKM-UHFFFAOYSA-N 445.932 1.583 30 10 IDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 547269973 HONSIKSMFHBDAX-PBHICJAKSA-N 432.502 1.648 30 10 IDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 547269975 HONSIKSMFHBDAX-WMLDXEAASA-N 432.502 1.648 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=C)C)CC1 558961794 GHWNCRIZHGFJEI-HXUWFJFHSA-N 438.532 1.791 30 10 IDEE CN1CCCC[C@H]1CN1CCN(CC#CCN2CCN(C[C@@H]3CCCCN3C)CC2)CC1 560159155 JOMFGOMGPQLANH-UIOOFZCWSA-N 444.712 1.194 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)n1 574297652 CDKQHBKNGZWVGF-UHFFFAOYSA-N 429.484 1.163 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 578580573 KOIFBMDHUCIXKE-YESZJQIVSA-N 439.582 1.581 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 604387347 CPAFWAVCTOFVFW-INIZCTEOSA-N 428.514 1.900 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)OC)ccc2-n2cc(C)cn2)CC1 611100043 HHJNYWAALLARRF-UHFFFAOYSA-N 440.504 1.419 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 670204259 WJISWCSVFTZOSU-OAHLLOKOSA-N 426.587 1.549 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]2CCCO2)c1=O 726178852 BPLMWYDTPYYSNI-MRXNPFEDSA-N 428.558 1.557 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3cccc(OCC#N)c3)ncnc1-2 729556522 BZSCZYFRXFGRSS-UHFFFAOYSA-N 445.281 1.635 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@H]1CCS(=O)(=O)C1 731840149 VLZTXSYRIZTWCR-AWEZNQCLSA-N 444.962 1.387 30 10 IDEE COc1ccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1S(=O)(=O)N(C)C 734293838 PFOHDFUSKDBUBO-UHFFFAOYSA-N 437.499 1.244 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccc3)c2=O)cn1 735069654 YVSPCFBJNXRSJU-UHFFFAOYSA-N 447.564 1.541 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 748064791 ACTHEOWXRZJHGZ-UHFFFAOYSA-N 428.510 1.446 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(F)F)C1=O 751924833 OJBWKAGKCZSRQP-ZDUSSCGKSA-N 427.477 1.050 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 751927124 WVTWVYSFHWSHMQ-CJNGLKHVSA-N 437.541 1.268 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCS(=O)(=O)C1 763032651 YFIRKPALMCHELM-AWEZNQCLSA-N 439.540 1.206 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 766368179 YBYXCQAWAFURAJ-UHFFFAOYSA-N 440.525 1.801 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCC2CCS(=O)(=O)CC2)c1 768416921 JRHBQICXDHEZIS-GOSISDBHSA-N 447.582 1.950 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1 777137455 MBMQXIHKMCNRCG-UHFFFAOYSA-N 440.544 1.882 30 10 IDEE C=C[C@@](C)(CC)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 785534721 SHEBCUKQEDIDHF-IBGZPJMESA-N 428.576 1.834 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NCc1ccc(F)c(F)c1)C2=O 786568322 FSBKDXNITNLHPK-BJJGWYPJSA-N 432.427 1.791 30 10 IDEE C=CC[C@]1(C(=O)NCCNS(=O)(=O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 790800735 PBZSCIXJDXSQBG-HXUWFJFHSA-N 438.550 1.822 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2sc(C(=O)OCC)cc2c1 795073206 QBLCTCJUXCZLHS-AWEZNQCLSA-N 441.552 1.889 30 10 IDEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1CCS(=O)(=O)C1 917701101 VJXHAVQDRFUOIP-ZBFHGGJFSA-N 432.527 1.346 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 924228166 FSISOUFUCNJCIK-FPTDNZKUSA-N 442.472 1.594 30 10 IDEE COc1cccc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)c1O 1083901489 RSPMAAAAPNESRK-UHFFFAOYSA-N 446.493 1.880 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1117651400 FMUBGAJXBPRWPN-JKSUJKDBSA-N 431.566 1.678 30 10 IDEE C#CCO[C@@H](C)C(=O)N(Cc1ccccc1OC)c1c(O)nc(=O)n(CCCC)c1N 1124166523 HQUGVPODPONGGJ-HNNXBMFYSA-N 428.489 1.911 30 10 IDEE C#C[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1129730880 MSUIDZWECPJSAA-OAHLLOKOSA-N 427.258 1.499 30 10 IDEE CN1CCN(C)[C@H](CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1136761393 KEZOLQDDYHAGTQ-QUCCMNQESA-N 427.549 1.755 30 10 IDEE N#Cc1c(CCCNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)nn(-c2ccccc2)c1N 1141514724 BONLLSSYJKHASQ-NQIIRXRSSA-N 438.532 1.255 30 10 IDEE CN(C)CCN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCS(=O)(=O)C1 1149024476 BSSXDPQGPAUZPI-INIZCTEOSA-N 428.352 1.441 30 10 IDEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1162504213 KPZWFYLZXLJOJC-MUUNZHRXSA-N 436.511 1.775 30 10 IDEE C=CCN(CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)C(C)(C)C 1174641819 NGFQANDPVRJOAX-UHFFFAOYSA-N 443.548 1.845 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1c(CC)nn(C)c1OC 1286378013 LGWWECMZIZHPFF-UHFFFAOYSA-N 427.534 1.692 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286386605 DSOMESPAMIGAEE-MRXNPFEDSA-N 426.502 1.352 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1286395308 ZNUCHSSTJHSWEQ-GOSISDBHSA-N 449.577 1.336 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1286431223 NHPJSKQDVLYVMH-SFHVURJKSA-N 442.541 1.709 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286499770 KRYZBDISWJEXAN-HNNXBMFYSA-N 447.586 1.382 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCCNS(C)(=O)=O 1286528440 AQDCOBJNFCAYBB-HXUWFJFHSA-N 435.525 1.928 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)OC)C1 1286564495 VRJZTXLRGIPHDX-PJVZLEMVSA-N 434.537 1.983 30 10 IDEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@@H]2C1)c1ccccc1 1286615073 FMVQDDMQSHQMDY-PKOBYXMFSA-N 426.521 1.929 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1286632222 GDZXYEKEQFHMBX-UHFFFAOYSA-N 436.973 1.894 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286775660 SPGYYKJCXMFYCA-UHFFFAOYSA-N 429.550 1.091 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccccc2C)C1 1286788435 WLTBHONRNBDCTB-ROUUACIJSA-N 443.573 1.785 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(CO)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286824964 KRZCXSWUOOMLPQ-HXUWFJFHSA-N 442.582 1.128 30 10 IDEE CC(=O)NCCN(Cc1ccsc1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1286958510 QCWNADTUYJJUNL-HNENSFHCSA-N 443.533 1.317 30 10 IDEE CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1297058926 RVQBCEYGHGSGQJ-QZQOTICOSA-N 435.488 1.849 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)NCCC)c1 1300332641 KCSOOBZCCBNRHN-UHFFFAOYSA-N 434.504 1.261 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1300411153 RAGKDHQPFIGDPU-JKSUJKDBSA-N 427.596 1.356 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300491789 ITNAPOSZEVHMHD-QGZVFWFLSA-N 448.570 1.256 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300503987 HTANEGLPNVNOPL-GOSISDBHSA-N 446.573 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1300596080 LBWVJLJQXQEKPV-HDICACEKSA-N 442.564 1.990 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1300725542 ICADXRGIYYXBPP-CVEARBPZSA-N 443.470 1.715 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 1300889598 CVGQBLZYKCPCDC-UYAOXDASSA-N 442.568 1.582 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1301018896 BGJFSRRMMFFCHG-UHFFFAOYSA-N 443.982 1.517 30 10 IDEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1301036354 CILVJBIPCDCXCW-UHFFFAOYSA-N 443.895 1.817 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCCS(C)(=O)=O 1301483294 NITSOXFEBIJHSR-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301589146 OENAMWKBMNVPHU-IRXDYDNUSA-N 434.566 1.500 30 10 IDEE CC(C)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302748760 ZYHPDSIFRQGWGD-RJCBAWPRSA-N 441.536 1.523 30 10 IDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1303002319 WLQFBJPUWJMWHL-JKSUJKDBSA-N 430.534 1.549 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)[C@@H](C)C1=O 1303185809 NQCUCBHQDLBSLI-SFHVURJKSA-N 440.548 1.909 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO 1303436570 HHWHYJMOSLHRJQ-FQEVSTJZSA-N 439.564 1.624 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 1303789477 BPCXPOUVMZDNBE-UHFFFAOYSA-N 447.557 1.088 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1306557789 WSHYLKMBALJKCJ-NWZZKEMCSA-N 436.532 1.996 30 10 IDEE C#CCNC(=O)CN1CCCN(c2nc(SC)ncc2I)CC1 1306959185 HMMNUYCYYULLEP-UHFFFAOYSA-N 445.330 1.065 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1315979819 GGGXCJBTQSVRCH-FGZHOGPDSA-N 442.520 1.218 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1316253389 RLJHJGDTVIHZAB-XXBNENTESA-N 440.548 1.373 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CNC(=O)c3ccccc32)cc1 1355744187 IZSAASPSGUGMQF-VUSLFOADSA-N 426.498 1.965 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358958629 SFOFWOHJZMJUMC-MAUKXSAKSA-N 446.533 1.430 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359045710 QVNXEGRXRVBVLJ-UHFFFAOYSA-N 449.621 1.800 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](COC)C1 1359052408 DYNNVPVFVGITCE-QGZVFWFLSA-N 430.530 1.934 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1359100643 DUFPPOOWDZBXSR-QUCCMNQESA-N 425.537 1.707 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1359231266 RRDOMARSXIOWAT-CQSZACIVSA-N 430.575 1.768 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(C)C 1359240460 OVTSFBQWHOQVHV-IKGGRYGDSA-N 427.571 1.294 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1359272651 YOTOXFKGCOXELX-QGZVFWFLSA-N 439.582 1.606 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359297698 ZESUNJKFDFFPRO-QGZVFWFLSA-N 425.537 1.332 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359300815 KPEHEJKLFUIHDG-UHFFFAOYSA-N 445.612 1.303 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1359302192 ZAUBPSYTEHBGJZ-SFHVURJKSA-N 428.581 1.912 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359302897 XILKDTWIRVLHGI-UHFFFAOYSA-N 443.515 1.159 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN2CCN(C(C)=O)CC2)C1 1359324625 OYQIXTVKLFDJIV-OAQYLSRUSA-N 430.597 1.956 30 10 IDEE Cn1cc(I)c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 1361176510 PDLFNQKRESCRJD-UHFFFAOYSA-N 436.257 1.690 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCC(=O)N(c4cnn(C)c4)C3)c2C#N)C1 1438002805 ZLJSJYDENVWDPU-ZDUSSCGKSA-N 426.502 1.640 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@](O)(CN(C)C)C1 1455061955 YLCCGRQOTCCTAE-SFHVURJKSA-N 426.311 1.623 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)nnc1-c1ccco1 1455093868 LVICHGAOJGJOLL-WMLDXEAASA-N 431.518 1.712 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H](C)C1 1456198743 GLNZRYZCXOOEBX-LZWOXQAQSA-N 441.575 1.222 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ncc4c(n3)CCOC4)CC2)cc1 1461353985 CSMZVFSKLDSXSD-UHFFFAOYSA-N 441.513 1.138 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(I)cc3F)C[C@H]1CS(=O)(=O)C2 1463164585 TXQLBKBHTFAOIQ-LKFCYVNXSA-N 434.230 1.441 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1468149246 FNVQKHZYADKYAD-SFHVURJKSA-N 428.533 1.875 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc21 1472371311 QOIIJMXIIIBEDH-INIZCTEOSA-N 437.456 1.743 30 10 IDEE Cn1nccc1CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1472389801 BPAZFFONWLTKPK-UHFFFAOYSA-N 443.349 1.835 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCOC[C@H]2C)n1 1492748413 DZVJEUJJSQPEIC-DENIHFKCSA-N 426.569 1.991 30 10 IDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1500891528 VZJKHZQXEOXGIO-GOSISDBHSA-N 439.564 1.890 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1505044599 VTRJYQUVNDUSPE-FQEVSTJZSA-N 426.521 1.391 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1505134476 FYFLCZIJQMQDJU-ZWKOTPCHSA-N 445.545 1.636 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1507544997 GVBAPQBPWNHJKJ-IAGOWNOFSA-N 429.496 1.949 30 10 IDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507584704 CGWGBJDDZLXXCR-NRFANRHFSA-N 439.608 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507630713 GFLKXRPZTBPDFM-MRXNPFEDSA-N 428.518 1.747 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1507634070 KUYQXMVXUDYEKT-INIZCTEOSA-N 437.610 1.656 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1507645981 INMWCQOHTRMGPB-SFHVURJKSA-N 429.484 1.498 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(NC(C)=O)cc2)CC1 1507723540 LYWQDOOWCZTNDI-UHFFFAOYSA-N 430.516 1.691 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCC2)CC1 1507733587 DYWUUDAIDGKAOD-UHFFFAOYSA-N 442.564 1.297 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507744545 SRWMHUZWOIXSDN-HNNXBMFYSA-N 427.596 1.186 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C1CC1 1507821237 XBARNPXOLWXDLX-DLBZAZTESA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508075550 XIGHXKOHFMODNY-AWEZNQCLSA-N 444.883 1.565 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1508135173 FGOKZMQIRVRKLC-UHFFFAOYSA-N 440.573 1.950 30 10 IDEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1508161417 DOUBPYFZKCWXRI-INIZCTEOSA-N 444.536 1.074 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCN1CCC[C@@H]1CO 1513923678 IKRBQELDXBYENS-HXUWFJFHSA-N 438.580 1.671 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)CCOC1 1516180457 CNNHOJDWFMFYQX-YADHBBJMSA-N 442.495 1.714 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c([N+](=O)[O-])c1 1537882522 SLLYFXJRXUXVFW-MRXNPFEDSA-N 428.470 1.848 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1538964536 JSNICEGZZJEBFV-RTBURBONSA-N 438.580 1.657 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539223044 YVFDJISUCOZRJR-RTBURBONSA-N 444.557 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CCCC)CC1 1539446183 TZASICMKLLHRIT-UHFFFAOYSA-N 427.553 1.493 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1540869292 IDVOONMZAWZKAN-HNNXBMFYSA-N 428.493 1.185 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1540869686 UPQDBGPGLVFTAO-WBVHZDCISA-N 441.511 1.386 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1540869700 UUZGIMWXIYYJSU-DLBZAZTESA-N 444.923 1.763 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1540880242 BAJACQZZTUYJLN-ROUUACIJSA-N 443.529 1.522 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1540928660 HPSDIYFSLSXSPQ-UHFFFAOYSA-N 438.532 1.805 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1541110994 BTNIKPJKQLKFSP-HNNXBMFYSA-N 437.508 1.586 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1541805944 ATSXINAAKPZLDQ-CQSZACIVSA-N 431.522 1.850 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545389854 OSOIVENYXHSVST-UEPNAKLXSA-N 427.509 1.033 30 10 IDEE Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cn2cc(C#N)c(O)nc2=O)c1C 1545876595 FOSMGMHQTISIRJ-KRWDZBQOSA-N 439.472 1.084 30 10 IDEE CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1547029026 ZMOZRKJRZCUHKX-QGZVFWFLSA-N 429.550 1.574 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC[C@H]1C 1555173591 UUZBXBPOWFZYSW-OXQOHEQNSA-N 436.520 1.852 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1555557976 IFYYRPRHVXFALC-CQSZACIVSA-N 439.488 1.873 30 10 IDEE COCCOC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555702624 CABPDTTYLWNUQB-VZCXRCSSSA-N 444.536 1.704 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1555985567 QYDHPQWNBWDVGK-YWZLYKJASA-N 429.431 1.438 30 10 IDEE C=C[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 1557621483 DYKARCZNDTYWJE-TZMCWYRMSA-N 437.381 1.512 30 10 IDEE COc1cccc2c1CC[C@@]2(CO)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1560104551 YAUYSWVFFPIKCH-XXBNENTESA-N 440.569 1.889 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1565653645 ZUAOFFRRGUQTJF-INIZCTEOSA-N 444.536 1.148 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1567226540 IIVVTBIERNOTJD-CLTKARDFSA-N 434.445 1.773 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)CCc2ccccc2)c1 1568088288 IJSDMYQHQZVFIQ-UHFFFAOYSA-N 433.551 1.871 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1587392646 QJOAJZFODBGLBQ-CVEARBPZSA-N 430.530 1.745 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588058857 DPQSQKGBVNXLML-HOTGVXAUSA-N 439.582 1.771 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588124881 VCUUWRWWHAXRBJ-OALUTQOASA-N 435.511 1.098 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1588385073 FCONAECJYJENHP-OAHLLOKOSA-N 438.579 1.138 30 10 IDEE COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1595348542 UXBOGYGSBSDOIL-HZPDHXFCSA-N 436.306 1.984 30 10 IDEE CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1602883669 KPGDEMHCBSMGCV-JLUOLNIDSA-N 443.552 1.086 30 10 IDEE CC[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1614249881 JNKBVSGLKPBILD-UAFUQJIBSA-N 437.504 1.406 30 10 IDEE O=C(NCc1ccccc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@H]12 1616175092 NPTYKQOPPXSAQK-NEILBQKWSA-N 441.509 1.535 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1618867774 DZCONDXSFVVWTD-UHFFFAOYSA-N 443.529 1.783 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1619927291 DJFOPKPMWAEQIU-HOTGVXAUSA-N 441.492 1.944 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OC)c1OC 1620111312 QQHVRDYBYUYHBP-ZWOKBUDYSA-N 443.504 1.796 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1623969807 UFFZNXZRVXBSEG-PMERELPUSA-N 441.550 1.440 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1627025433 CVCHSQBPQVHGGQ-OAHLLOKOSA-N 437.928 1.865 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]([C@@H]3CCCO3)C3(CO)CCC3)C2=O)cc1 1627657438 XUFWZMHLOLSPJD-WSTZPKSXSA-N 440.500 1.590 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 1632966710 WCXCWEORBPGBAR-SJLPKXTDSA-N 440.363 1.339 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 1636475402 GTCYTUCDSIANIP-UHFFFAOYSA-N 425.308 1.156 30 10 IDEE C#CCN(C)CCCNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1636805166 AGXVGPDQTWQRKS-UHFFFAOYSA-N 426.558 1.820 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 1639992061 NRFTWXGUNIJGBE-QFIPXVFZSA-N 445.520 1.647 30 10 IDEE C=CC[C@@]1(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CCCN1C(=O)OC(C)(C)C 1647783601 ZVVSYUONWRUOET-SFHVURJKSA-N 427.527 1.311 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1648275862 PHIZXEUMBGGQHK-QZTJIDSGSA-N 443.610 1.957 30 10 IDEE N#Cc1c(Cl)nsc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1651347966 FLKVCJCLTQGATF-UHFFFAOYSA-N 426.907 1.950 30 10 IDEE COc1cc(C(=O)Nc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)ccc1C#N 1654390411 WNSNLUNFFZGDKF-UHFFFAOYSA-N 427.465 1.994 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1664079803 ASCUNCNYZMBLIM-IBGZPJMESA-N 434.539 1.669 30 10 IDEE CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1668754493 DFRACCHMJQCXLB-UHFFFAOYSA-N 432.481 1.697 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1=O 1690008770 NYAXJBXNWQJZCO-UHFFFAOYSA-N 443.515 1.396 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690119596 LDKQGJJTYKHBBL-GOSISDBHSA-N 443.573 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690142891 XARBCQBCNYOYPC-GOSISDBHSA-N 437.548 1.164 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CC(N)=O 1690659067 IYTACARBYBYQIQ-HNNXBMFYSA-N 427.509 1.150 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1C 1690670815 JUBLUTBHKWTNDW-QGZVFWFLSA-N 447.561 1.306 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690729085 GFFRAWDCBZBEGD-MOPGFXCFSA-N 448.593 1.746 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1692759415 FYEUCXRNGZWKES-JKSUJKDBSA-N 425.603 1.891 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CSc2ccccc21 1692799200 GIJFOBIOONQKLU-KKUMJFAQSA-N 448.574 1.507 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC#N)CC1 1695872816 DVMNAEABLUEABK-ICSRJNTNSA-N 427.601 1.904 30 10 IDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1697634771 ABBIDHWYTLRZTH-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCOC4)C3)n2CC(=O)NCC(F)F)cc1 1698488590 GDTYJGUOOIHDEA-OAQYLSRUSA-N 446.458 1.727 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(N)=O)c1 1705498365 VEVAUEKSAMWTDK-QGZVFWFLSA-N 443.511 1.887 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705563373 WGGPKJURPADRRK-QUCCMNQESA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705567468 WNSDLPRFVHBEFY-JKSUJKDBSA-N 435.575 1.530 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1705612632 KXJPGCKWWZZZAY-GOSISDBHSA-N 433.553 1.911 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOC(C)C)CC1 1705644579 VUOBZVOXZLVJSE-UHFFFAOYSA-N 439.520 1.316 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705659663 CCYHLTYOSDKUMF-QGZVFWFLSA-N 443.577 1.664 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1705767621 PEVCGMSNGDBBRW-GJZGRUSLSA-N 428.459 1.649 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1705902247 AGBIEPQCVXCELK-MSOLQXFVSA-N 440.548 1.808 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1nncn1C 1705936646 VPUWTZZOBSJBIV-HOTGVXAUSA-N 435.554 1.243 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1708758368 ZJBFGYRYDMBFAF-NVXWUHKLSA-N 432.525 1.468 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1711291972 GBBCDCCCHNQGCE-QGZVFWFLSA-N 444.561 1.460 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1711419879 MHVCMIVCNMVTDZ-GOSISDBHSA-N 444.561 1.497 30 10 IDEE COc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1711961775 VJWHJEPEWBFHPL-UHFFFAOYSA-N 442.501 1.548 30 10 IDEE COCCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1712403262 DTZJYNHLWDQGBR-RTBURBONSA-N 440.504 1.422 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@@H](C)O1 1712850821 DQLCHWHIZGAUKD-UEXGIBASSA-N 440.548 1.778 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOCC1(C)C 1722282206 MJXLNMWQTQEHPC-QGZVFWFLSA-N 435.536 1.490 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1722293893 DYJFMPAUBMUPJV-QXAKKESOSA-N 447.561 1.457 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722323139 BGDDICGWRPTORQ-KRWDZBQOSA-N 449.964 1.898 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722362927 XBGQYNUUVANPNI-IBGZPJMESA-N 428.562 1.453 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722444992 RJEWWDVQZQCJNY-DLBZAZTESA-N 435.594 1.582 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1722581095 ANGFLXYNGGXBTP-OAHLLOKOSA-N 442.586 1.769 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1722676582 DSNAGNNEUZNJSP-WMZOPIPTSA-N 436.534 1.424 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@H]2C)C1 1722710083 CYXOKTTYOZMBEA-LTIDMASMSA-N 427.571 1.342 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726412426 FLPOZYRABFCYPY-PXBNPBHZSA-N 426.452 1.830 30 10 IDEE CN(C)CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1729339505 WXQUGGBZULJFJS-UXHICEINSA-N 440.548 1.890 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1729422739 DWWDNEXJKKWWOM-SFHVURJKSA-N 430.472 1.836 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1740619383 IHSZWMKLPLYIMS-QGZVFWFLSA-N 448.570 1.149 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740620190 CEIDDWDJRGGZAK-IAGOWNOFSA-N 449.627 1.815 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1740620219 CGSIDIOHXDGVDP-SFHVURJKSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740630506 IYONPMMXDDZMHK-BBTUJRGHSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740637993 JNBXKVFZGZGSRC-NRFANRHFSA-N 446.555 1.594 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@H]1C 1740676546 GQKPSIRRSPPHFB-LZFQIVBZSA-N 427.480 1.548 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1740732309 YNHXCOYXIILQDZ-VQIMIIECSA-N 441.623 1.746 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCS1(=O)=O 1740897531 KRLKSEWIHSNODK-UHFFFAOYSA-N 429.506 1.252 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(C)(C)O)n1 1742707707 BVMPDLNWXJVGAW-UHFFFAOYSA-N 435.536 1.504 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1745954385 UQCIKBKPYMFEPM-SFHVURJKSA-N 433.534 1.229 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 1748752450 XMPIAIAQEJGKDU-IBGZPJMESA-N 447.561 1.669 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1748771961 QPWVSWLPFQYFDQ-FCHUYYIVSA-N 449.621 1.596 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748802430 PXNKAHKMFCITOO-GFCCVEGCSA-N 442.423 1.114 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1748984789 QZQUXFRIUQVIHL-UHFFFAOYSA-N 438.557 1.539 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](COC)OC)CC1 1748989268 JRHYCNIXUMZRBW-YLJYHZDGSA-N 427.505 1.207 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC(=O)N2)CC1 1749017217 XIKKNXHZYNSCFH-GOSISDBHSA-N 438.507 1.252 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CN(CC(C)C)CCO1 1749073007 BXSIBALYEPNNOW-AUSIDOKSSA-N 428.581 1.749 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749391700 QYCKXNDKVLXSNI-UKRRQHHQSA-N 439.542 1.514 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(C)c1 1749650935 JTOGELSSRAYZOJ-AEFFLSMTSA-N 446.577 1.840 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749677013 KVWMMZDOZXXUSJ-PMACEKPBSA-N 430.597 1.860 30 10 IDEE COCCN(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1749759941 QJHFEONIUAIUME-FMQUCBEESA-N 428.468 1.617 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1750386317 JDPXTKZCVGZBBR-OALUTQOASA-N 440.504 1.774 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1760187409 CYKUOYQTNBDSOJ-SFHVURJKSA-N 434.566 1.368 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1760190424 WIOYIZVOSBQJPF-GOSISDBHSA-N 442.570 1.974 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1760255391 ZMACTHYPYATKPS-CTNGQTDRSA-N 425.533 1.760 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1760260657 AYIHZRFXHMBADF-FQEVSTJZSA-N 449.559 1.197 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(C)(=O)=O)CC1 1760399135 ALOUFYYMYKTQBW-UHFFFAOYSA-N 428.522 1.368 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1760407682 KTHWQMFZZFAKLP-UHFFFAOYSA-N 441.536 1.998 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1760422068 IBFFCNGUECKFTJ-YESZJQIVSA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC1 1760522147 MNHBIJUQMQGICE-INIZCTEOSA-N 434.541 1.877 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC)CC1 1760525224 YAZOHZGONILFAS-UHFFFAOYSA-N 434.447 1.338 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760527869 KUBCJOJARNLSBA-HZPDHXFCSA-N 447.879 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C)C1 1760551245 YIRZXYDZLLLCSV-LBPRGKRZSA-N 444.355 1.862 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1760660822 GWCHHCPCZKCDRT-IBGZPJMESA-N 449.519 1.373 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CC(=O)N1C 1763089395 KLUGUYIRSVICTL-GOSISDBHSA-N 437.548 1.596 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1Cc1ccc(C#N)o1 1764184007 NVERDGABEKIKJE-NRFANRHFSA-N 441.492 1.740 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1766368855 DTBKTUIMCDZCOO-UHFFFAOYSA-N 435.532 1.744 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1766933616 ZXELHCZXKQIBQK-GOSISDBHSA-N 425.493 1.036 30 10 IDEE CCN1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1767123419 PCXKVCPCLKNQSF-XOMICKMZSA-N 436.520 1.397 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 1767692279 IFFZYBCHIMHBMT-XPQZIERPSA-N 445.545 1.370 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1768464075 GTAPXZAPYGBVBC-UHFFFAOYSA-N 437.548 1.332 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2ccco2)C1 1770360287 AAMMOLKPIMCOJL-QGZVFWFLSA-N 426.502 1.953 30 10 IDEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC 1772563873 NDYRBJSCUOXRFT-UHFFFAOYSA-N 442.586 1.564 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)N3C[C@@H](C#N)CC3=O)c2C)C1 1850798482 HNEATYINEXHTEM-ZIAGYGMSSA-N 425.411 1.981 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866887521 PTHFWXUHSJRKBZ-QGZVFWFLSA-N 435.889 1.491 30 10 IDEE C=CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870811881 KBXFXSUWUTVHIQ-UHFFFAOYSA-N 429.502 1.638 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C1 2054377678 CEKWOCSLLQUVQC-NEPJUHHUSA-N 438.344 1.035 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2127788672 JCYGVAKZQQHFTB-GOSISDBHSA-N 448.369 1.920 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2136451759 JONYHPNODOHTJR-NRFANRHFSA-N 448.329 1.740 30 10 IDEE C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243685055 MNPQZEDAJZUBSD-LLVKDONJSA-N 426.348 1.749 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2248440499 PKQCIICAXFRYFM-UHFFFAOYSA-N 438.359 1.845 30 10 IDEE CC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2255613827 CZYMQJAXACVATJ-ZIAGYGMSSA-N 437.346 1.840 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC[C@H]1NC(=O)C(F)(F)F 2255635206 FORRSHMSFIRQHG-WDEREUQCSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](CO)C1 2255712627 PQAMKSJAFVFXNV-OAHLLOKOSA-N 435.330 1.368 30 10 IDEE Cc1nn(C)c(C(=O)NCC=CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255827753 MJFFFVSXQMXHHM-UHFFFAOYSA-N 434.346 1.838 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCN1Cc1ccccc1 2255943859 XBDASHMYRQGWAR-KRWDZBQOSA-N 446.382 1.272 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2267596621 PASIGOLEIRDKTN-JOCHJYFZSA-N 447.341 1.794 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2267602074 GPEUJSSMLVTYPO-CWRNSKLLSA-N 444.341 1.904 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073196 HMUGIGINLUCEBQ-PBHICJAKSA-N 443.309 1.508 30 10 IDEE CC(C)(ONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284403795 SUEWTWILYBORGK-UHFFFAOYSA-N 425.721 1.774 30 10 IDEE C[C@@H](C#CC(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302423792 QFDMJEYFPPFJNQ-ZDUSSCGKSA-N 447.479 1.636 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)c(O)c1 2329035241 QLLPTNRBCXGTAG-CQSZACIVSA-N 447.517 1.864 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CC(N)=O)C1 2343292643 LEOREEJDOOXVTF-HNNXBMFYSA-N 446.357 1.682 30 10 IDEE CC(C)[C@@H]1C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OCc1ccccc1 2370879632 VLWOAQAYYINXRT-CNNODRBYSA-N 436.574 1.939 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2I)CC1 27559002 NIMLJMFIYFRDOT-UHFFFAOYSA-N 442.301 1.150 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)c1=O 101351019 PAAUHPJLLVHPQG-UHFFFAOYSA-N 428.470 1.988 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cccc1Br 318690482 CFCSIBVSSZLBMU-SNVBAGLBSA-N 426.741 1.914 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1Br 432852389 QPGWTNWEGQIGTD-CQSZACIVSA-N 442.335 1.580 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460555430 QLOYFVYEMSLNNC-UHFFFAOYSA-N 441.584 1.955 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 460935138 VBPRLQRUNYDTMI-QGZVFWFLSA-N 427.571 1.176 30 10 IDEE N#Cc1ccc(CS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1F 479016966 RXBUEIYJRDKCDA-UHFFFAOYSA-N 425.463 1.087 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCC3CCN(c4ccccc4)CC3)CC2)n1 484260733 YLTDXWYYEKFECQ-UHFFFAOYSA-N 432.528 1.635 30 10 IDEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc1 511377628 KTRDHFNFLYKEEZ-XEVCZEQESA-N 441.532 1.924 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 513091808 CXYMFTFELOKAQI-HTAPYJJXSA-N 427.526 1.778 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1-c1ccccc1C#N 520679669 OOBOPSAZOANXMU-UHFFFAOYSA-N 434.908 1.982 30 10 IDEE Cc1cc(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1 546919781 RXFASUNOZSUWCG-IBGZPJMESA-N 441.557 1.736 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)COc2ccc(C)cc2)CC1 549730391 DJJVPTMZWHBJTR-FQEVSTJZSA-N 441.532 1.978 30 10 IDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(OC)c(OC)c(OC)c3)N2N1 588225505 PIFRNVISMFFRIZ-HXUWFJFHSA-N 438.509 1.775 30 10 IDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c(OC)c1 611182719 ZBDPRDTTYFSOAX-UHFFFAOYSA-N 427.479 1.946 30 10 IDEE COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 611877404 ZMYTWLHTABHTLJ-UHFFFAOYSA-N 428.470 1.779 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 670233830 BYDLHNLBVROQRH-IRXDYDNUSA-N 437.522 1.358 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671665994 YVDUNKCKUIQPQY-SFHVURJKSA-N 446.529 1.454 30 10 IDEE C=CCn1c(SC[C@@H](C)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 677993341 XRROSDUIIATMOZ-HNNXBMFYSA-N 438.575 1.873 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 729331085 MSLMDYJRHYWLDK-IBGZPJMESA-N 446.550 1.774 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(C)(C)CN(C)C)c2=O)cn1 735068027 CEZZMGNZLFEQIJ-UHFFFAOYSA-N 443.617 1.832 30 10 IDEE C#CCN(CC(=O)N=c1cc[nH]n1Cc1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 741784725 LVAPTUMZZLWEEU-HXUWFJFHSA-N 428.558 1.538 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)cc3C)C2=O)cc1 748414466 NLAIJJRJCVQCGE-JOCHJYFZSA-N 436.424 1.531 30 10 IDEE CO[C@@H](C)c1nc(C)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)s1 750450213 YQIIXXGFMXFVAH-LBPRGKRZSA-N 433.490 1.833 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 751368284 AKJRQFNUFVHODK-NRFANRHFSA-N 430.464 1.464 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cnc1Cl 760374895 BPALEFXDUYYYMH-UHFFFAOYSA-N 444.944 1.227 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(-c3ccc(F)cc3)c2=O)cn1 772280060 UMZQQRWVANFOSM-UHFFFAOYSA-N 437.500 1.754 30 10 IDEE C#CCN(C(=O)NCCNC(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 774186368 BSBSYYYYVQXILV-HNNXBMFYSA-N 442.335 1.011 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 778557922 WLKVDARWUMMTMZ-FQEVSTJZSA-N 437.500 1.933 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCCn1ccnn1 784118574 PBNRLZUIWVMNIW-GOSISDBHSA-N 443.577 1.676 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)n1 788695148 GGOKXHHAEOKWRW-UHFFFAOYSA-N 425.894 1.794 30 10 IDEE N#Cc1ccc(I)c(OS(=O)(=O)C2CCS(=O)(=O)CC2)c1 798464526 HGWGKGXTSOJMAF-UHFFFAOYSA-N 441.268 1.449 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C(=O)c3c(F)cccc3S2(=O)=O)CC1 799313362 XFHUFNAHZJHFSY-AWEZNQCLSA-N 448.501 1.441 30 10 IDEE COc1cc(CN/C(=N/CCCN2CCOCC2)NC(C)(C)C)ccc1OCC(N)=O 912507212 XVCRYZBOTRQXDK-UHFFFAOYSA-N 435.569 1.115 30 10 IDEE CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700132 NFMHJJVYRKVJPZ-MRXNPFEDSA-N 449.558 1.098 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 918162805 BPJMHAPKRLBRGB-XQNSMLJCSA-N 449.533 1.549 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCCOc2ccccc2C#N)CC1 919011832 LGJDURNRMAYHTG-UHFFFAOYSA-N 432.502 1.921 30 10 IDEE CC(C)(C)n1nnc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1130492073 BCHYTUITQKBGPN-UHFFFAOYSA-N 431.522 1.017 30 10 IDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)[C@@H](C)COC 1130890174 NMUSNWSNEAFKDJ-KRWDZBQOSA-N 439.578 1.685 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2=O)cc1Cl 1142898888 SHMWTJSDQDLMHM-HOTGVXAUSA-N 431.924 1.268 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c2ccncc2)c1 1150295101 NCFWZUXYMBNKMP-OALUTQOASA-N 430.482 1.274 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1153313397 LIJAOUNUNJLTJS-BEFAXECRSA-N 426.535 1.594 30 10 IDEE C#CCC1(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CCOCC1 1178168507 BPNSDDOFNZHVKN-UHFFFAOYSA-N 435.546 1.136 30 10 IDEE Cc1c(Cl)cccc1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1189869108 PFFITTKWSCLHFI-UHFFFAOYSA-N 432.864 1.824 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[C@H]1c1ccnn1C 1271343723 UTQGZMUMDQJHHD-YADHBBJMSA-N 437.500 1.650 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1277134652 AAPPDQAEPKCYEN-GOSISDBHSA-N 433.574 1.897 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)CC 1286284541 DTYQZTBAIWYDQX-MRXNPFEDSA-N 427.534 1.528 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1286350096 UYAGPGVNGTZPEK-HXUWFJFHSA-N 443.573 1.896 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286393618 LSYJPFRIOOQTPQ-IAGOWNOFSA-N 449.602 1.888 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1286428173 BDTMGOXEIULQIF-HXUWFJFHSA-N 432.528 1.577 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1286467322 UNOHESRXVUBAIZ-GOSISDBHSA-N 434.537 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2ccco2)CC1 1286473628 VFPKMODRMUXWQT-XZOQPEGZSA-N 443.548 1.575 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1286687496 OTKSZLDYLBXSEX-UHFFFAOYSA-N 430.509 1.657 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286710522 ZEQAZKLANCBEAX-JKSUJKDBSA-N 434.541 1.925 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1286743613 MNQQHCGDERFEDA-INIZCTEOSA-N 429.550 1.863 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286780023 AGGCAQFMCISLEM-KRWDZBQOSA-N 445.568 1.090 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286792416 XCHDQTVTZMSRCU-KRWDZBQOSA-N 440.548 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(Cn2cncn2)CC1 1286819004 WHVCMQDNPVUMHP-UHFFFAOYSA-N 442.549 1.449 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286830758 QNCZUAAHOPUQIN-KRWDZBQOSA-N 447.609 1.875 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1288198763 ZDSPYAVBBAOIER-UHFFFAOYSA-N 445.531 1.848 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@H]1C 1291176268 XHKYVUXUOREWQM-HOTGVXAUSA-N 432.550 1.903 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)CC(C)C)CC2)s1 1292152166 BTCJFEXPHKOHEA-UHFFFAOYSA-N 427.592 1.908 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1297520029 KADAVBNJUNMHSU-SFHVURJKSA-N 426.517 1.419 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC(=O)N(CCOC)C1 1300438664 REPRMXILLPCYLK-ZDUSSCGKSA-N 435.326 1.600 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300491986 KOFSOPRQLLNUMG-PKOBYXMFSA-N 442.589 1.758 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1300578731 NXDIHXCPZCUNPO-OAHLLOKOSA-N 446.602 1.840 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCC 1300663966 MAADUJVVZBBDDF-HSZRJFAPSA-N 438.532 1.829 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2COc3ccccc32)CC1 1300683532 PGIFFYYEIQEQOI-MOPGFXCFSA-N 425.533 1.934 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300700565 SJKRDTIAPRBIMF-MSOLQXFVSA-N 432.569 1.793 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300766754 JKPUKOTVZWEQJU-SFHVURJKSA-N 429.571 1.257 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1300990285 URRAWBBHCMZTTK-SFHVURJKSA-N 448.593 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1301584440 ABIYFWJDOZMYDY-OAHLLOKOSA-N 436.538 1.841 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)C1 1302630778 PTQNRFVXYWHUKL-RNODOKPDSA-N 430.848 1.485 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1303003201 DEQGNTPNBCADQH-VHSXEESVSA-N 427.412 1.482 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1303642651 XTDXOAFLJTXEDR-OWCLPIDISA-N 440.570 1.164 30 10 IDEE Cc1ccc(C(=O)N2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1304256778 YSTDCNIXRZWUOJ-MRCUWXFGSA-N 449.515 1.384 30 10 IDEE C#Cc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)cc1 1304802636 QJNTXUORIXNAAW-YFIXDKARSA-N 446.550 2.000 30 10 IDEE Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304836622 CGFRYSGTAYRVST-RUNIHZNKSA-N 443.552 1.492 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1312624600 DYPNFUJFDLYMLD-RXVVDRJESA-N 430.530 1.269 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H](OC)C(F)(F)F)CCOC1 1314141031 NCMWASQRTJTOAL-GRDNDAEWSA-N 433.431 1.626 30 10 IDEE CCOC1CC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1314249207 BQIGVNQDMBIFJK-JFUAUVDRSA-N 429.456 1.297 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cc(C)no1 1316186936 SMEQBPHBEQSGHZ-AWEZNQCLSA-N 439.476 1.882 30 10 IDEE COC(=O)c1ccc(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1 1354740821 JVSMOARMGNBQLS-PTGBLXJZSA-N 430.486 1.862 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1358919328 ZZIJLGLGVARPSU-UHFFFAOYSA-N 438.536 1.969 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1358939563 ZASFTXDFJMRMLA-LLVKDONJSA-N 427.328 1.164 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1358957543 VUEQGGNCPREOQB-VQIMIIECSA-N 442.607 1.310 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1358959537 LBQRCDKQEZDGHW-MRXNPFEDSA-N 428.543 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1358984281 OTXZXPGSQXJCSO-UHFFFAOYSA-N 449.515 1.867 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1358991856 QWGHNDPZCJINHA-UHFFFAOYSA-N 439.541 1.951 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@H](C)C1 1359000155 NIYFLUAQEDYQOJ-GOSISDBHSA-N 425.537 1.886 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCOC[C@H]1C 1359020048 PURZJIBJJRQXHU-QGZVFWFLSA-N 428.493 1.660 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)CC1 1359086745 HKPJLGXFTFPEHC-UHFFFAOYSA-N 427.303 1.198 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359297174 IATTWCDWLSJXAP-UHFFFAOYSA-N 440.577 1.646 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359302273 AVWFGAAGNVBDGP-UHFFFAOYSA-N 430.578 1.974 30 10 IDEE CC1(C)CCO[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1360819448 WZLVSFXLKWYCQS-GDBMZVCRSA-N 430.534 1.813 30 10 IDEE Cn1nc(I)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1457537562 WLGPTHZZXMTXGG-SNVBAGLBSA-N 445.261 1.610 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCOCCN2C(=O)c3ccccc3C2=O)[C@@H](C#N)C1 1460075446 KHRZQCHZGVJRIG-INIZCTEOSA-N 428.489 1.744 30 10 IDEE Cc1nnc(N2CCN(C(=O)c3cccc(C#N)c3Br)CC2)c(C(N)=O)c1C 1464958365 RKTNKZARZOFPRP-UHFFFAOYSA-N 443.305 1.789 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)Cn2nc(Br)c(Br)n2)n1 1467715411 IRAGVILJOWVDAN-UHFFFAOYSA-N 430.104 1.682 30 10 IDEE N#CCCN1CCN(C(=O)NCCOc2ccc(I)cc2)CC1 1469933421 MGNLJZGNPOWNNX-UHFFFAOYSA-N 428.274 1.911 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)O2)C1 1470235025 OSNSGPBFYHQGSA-YWMAMYRUSA-N 434.493 1.188 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 1470366417 NUOUEAPAHVYIKM-OAHLLOKOSA-N 426.922 1.398 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](CNS(C)(=O)=O)C2)n(-c2cccc(F)c2)c1C 1473776143 AXWFUCJUILWILR-INIZCTEOSA-N 447.536 1.915 30 10 IDEE CN1C[C@@](C)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1=O 1503676661 YDNJHPBGGRFZJO-QHCPKHFHSA-N 436.564 1.938 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCCn2cnnn2)CCO1 1505321247 LGTRAFSHMOJIDA-OAHLLOKOSA-N 444.297 1.513 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1507600308 FAZHUOOOSGNOGO-GFCCVEGCSA-N 446.455 1.342 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507603743 UJRJPKVYPYCMEY-LBPRGKRZSA-N 441.355 1.387 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@H]1CCOC1 1507606507 OKCDHGWRSBQIGC-QGZVFWFLSA-N 432.546 1.861 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507840100 MDXDSCMVRPJKKJ-LJQANCHMSA-N 446.577 1.937 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507867977 CHROSHWSEBINHZ-CVEARBPZSA-N 445.973 1.165 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1508079664 BXWLSJNHXPHHCB-UHFFFAOYSA-N 448.487 1.877 30 10 IDEE CCc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1513918735 ZKUGMKJHVMOJKJ-QZQOTICOSA-N 437.504 1.399 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1514221630 WLQBTXHDWNEUEE-INIZCTEOSA-N 439.520 1.912 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1519275854 MJVMPANKZJCAQM-GDBMZVCRSA-N 443.508 1.555 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCCCC1 1521423305 LTTLRENCJJUEII-UHHPSXQGSA-N 448.549 1.087 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1529838316 NINARXWGFTXAGT-GJZGRUSLSA-N 437.518 1.925 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539217038 ZWRYLSNVQJYAAT-GOSISDBHSA-N 446.577 1.655 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCCC 1539315618 PPUDXYLKXYMAKB-UHFFFAOYSA-N 431.500 1.181 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)NCCC)CC1 1539484542 SXRUHULBPBXUCP-UHFFFAOYSA-N 437.548 1.146 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539736038 XGNHKNSHHBUCQG-UHFFFAOYSA-N 428.493 1.960 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOCC)CC1 1539848471 OXXFEDZBLYVPNY-KRWDZBQOSA-N 427.571 1.584 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1)C1CC1 1540093983 AVRMWVJOGCNJSV-MRXNPFEDSA-N 438.598 1.836 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3nscc3I)CC2)c1 1540583326 RQXVHJLBHWAWOC-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCOc1cccc(Br)c1)c1cc[nH]n1 1542229369 TZWVXWZLIGHDJK-UHFFFAOYSA-N 439.266 1.651 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)C[C@H]1CS(=O)(=O)C2 1558511522 UERWLEPOUIHGQV-SJCJKPOMSA-N 435.303 1.850 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC(N[C@@H]2CCOC2)C1 1558550550 JETASUNYPCVFGC-XLIONFOSSA-N 426.517 1.982 30 10 IDEE COC(=O)[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)C[C@H]1c1ccc(Br)cc1 1559217947 DYYPUMRIEAGJGC-UONOGXRCSA-N 433.262 1.101 30 10 IDEE 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CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1746737331 ZCOFMOFYVQNJRJ-HTAPYJJXSA-N 444.511 1.912 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1747372265 KVNIKTGQMBCWJE-UHFFFAOYSA-N 440.548 1.517 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)C[C@H]1O 1748337045 ROERAILQQCBIKJ-SJLPKXTDSA-N 445.545 1.842 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1 1748773625 ABRMKDFMFAPFCZ-LBPRGKRZSA-N 426.340 1.550 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749198349 GLRGFSZCGCQVDQ-UHFFFAOYSA-N 429.594 1.954 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749367105 QBBSFQGXWOZXSP-MRXNPFEDSA-N 430.553 1.312 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1749368161 CJWODPUEPBWKGW-IAGOWNOFSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCn2nc(C)nc2C1 1749655245 FYWVVIDIMXGGHF-UHFFFAOYSA-N 446.313 1.258 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCS(C)(=O)=O 1749658014 KMQUNXLOMYEFLO-UHFFFAOYSA-N 426.930 1.167 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749671879 MGEJFFCKZOEAIG-HZPDHXFCSA-N 433.415 1.563 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccc(OC)c2)C1 1749705017 FNQKWAZMQYXURR-IBGZPJMESA-N 449.515 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCC(=O)NC 1749727256 RJFKBSYEVKPIKX-UHFFFAOYSA-N 443.932 1.911 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1751099231 XNUZISGKQVCAIH-FSNCLGKMSA-N 447.584 1.854 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@@H](C)O1 1752387730 KDWZIUWVUGTVBG-DRSNIGMVSA-N 426.521 1.409 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1752452634 QSVKJMRUMXYGAJ-MGPUTAFESA-N 433.534 1.228 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1760140975 FWHXGSBLFZGZFU-UHFFFAOYSA-N 430.534 1.962 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1760180360 CRMSFMUFSVNHLD-INIZCTEOSA-N 435.937 1.313 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1760252773 VJSVUAYUDUOCKW-AXHZCLLHSA-N 442.608 1.893 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCO2)n1 1760253488 ZWLHUCQWCUKNBH-MOPGFXCFSA-N 441.536 1.281 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1760419482 SRAYFQYAORVNJC-INIZCTEOSA-N 439.582 1.352 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1760465040 VIXQQGANURXNHP-QGZVFWFLSA-N 427.571 1.583 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C)C1 1760531852 CCCVQKHIIIWIPD-CVEARBPZSA-N 435.550 1.727 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1760835000 CVOPRKAXVTURNA-GOSISDBHSA-N 433.520 1.735 30 10 IDEE Cc1cnn(C[C@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CCO2)c1 1762186056 AWBVSRSGXICNDM-GOSISDBHSA-N 438.492 1.340 30 10 IDEE Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762608988 BLVNHNKMSJHUCH-HNENSFHCSA-N 442.911 1.488 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CCO1 1765635256 BBSLZGRFIUBTNR-FQEVSTJZSA-N 436.520 1.996 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766752051 RTFGJELZTKBGED-DRKIFQHWSA-N 443.577 1.534 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1766933617 ZXELHCZXKQIBQK-SFHVURJKSA-N 425.493 1.036 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1767931949 CZHMJKHSYRYVAJ-QGZVFWFLSA-N 438.536 1.323 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1768888796 IBTUXUGWQWJTLZ-ZWKOTPCHSA-N 426.521 1.529 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1770356200 MGNMGVGMVCOFKQ-OAQYLSRUSA-N 444.561 1.763 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CC1 1771362444 BAUQPRDHCRKBOA-UHFFFAOYSA-N 426.502 1.976 30 10 IDEE N#C[C@]12CN(C(=O)NC3CN(c4ccc(C(F)(F)F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1774173773 NVRXAVACQDJMBJ-SUMWQHHRSA-N 428.436 1.474 30 10 IDEE COCc1nc(N2CCOCC2)ncc1C(=O)N=C1NN(c2ccc(Cl)cn2)C[C@@H]1C 1851847735 KWSGBEYJZKQYIG-ZDUSSCGKSA-N 445.911 1.708 30 10 IDEE N#C[C@@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)[C@@H]1CCCO1)CC2 1857231912 JUDRNVVINGZFBH-YJBOKZPZSA-N 429.498 1.596 30 10 IDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1857490986 XGBFLFXYPYOBDO-CVEARBPZSA-N 425.576 1.784 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 1869929217 CDWILISVHUXKQT-QGZVFWFLSA-N 430.505 1.992 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)COc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 1870004870 OQOOVFDWQHSTCE-INIZCTEOSA-N 431.518 1.834 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(=O)cc1CN(CCO)CCO 1870713113 RAIWGSYCLSMKPL-UHFFFAOYSA-N 449.935 1.800 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)nc(Nc2ccc(OC)cc2)[nH]1 1871560840 IUBUBJCSQQAKLQ-UHFFFAOYSA-N 425.537 1.968 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCC(CO)CC3)ncnc21 1873560768 MCEUJAVSBXYKBZ-UHFFFAOYSA-N 426.521 1.130 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1985852863 HRBSBGJVTVFFRL-LSDHHAIUSA-N 428.530 1.965 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243412993 XIDFBDVRZJCBEJ-STQMWFEESA-N 444.384 1.991 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247919000 OFHFWLKKBLRHLF-KBPBESRZSA-N 438.355 1.757 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255544663 CPBIZLVCWSDVAS-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE C[C@H]1[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2255821636 FSBYJZAXHBKUOT-UONOGXRCSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255827682 ZTDUOIKTVDGWMX-CURUXHCOSA-N 432.330 1.885 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256614476 NOYBZAFWNVBKNM-KRWDZBQOSA-N 432.326 1.714 30 10 IDEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256623682 GPNZADBVOVPRPF-MRXNPFEDSA-N 436.314 1.819 30 10 IDEE CCc1nn(C)c(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267144510 XKYKLIXABIJAHP-UHFFFAOYSA-N 448.373 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267224704 NCFVJHFLNQPEJI-DLBZAZTESA-N 447.341 1.481 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccco1 2296613833 LYYBYYBPHSTYTH-LJQANCHMSA-N 428.489 1.774 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=O 23852032 ITPIEDVWWPWXQN-GOSISDBHSA-N 428.489 1.356 30 10 IDEE Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)Nc4ccc(C#N)cc4)cc32)no1 46145536 FABBCYSNAKSRSP-UHFFFAOYSA-N 425.426 1.976 30 10 IDEE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#Cc1ccc(N2CCNC2=O)cc1 96350949 GBLNPIIGRGMQHH-KRWDZBQOSA-N 449.536 1.466 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)CC1 439934393 RHUNEHCOGFTCBN-LJQANCHMSA-N 429.521 1.056 30 10 IDEE CC(C)C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCCC1=O 445642208 LWNHNJQZPPIXCY-IBGZPJMESA-N 446.573 1.818 30 10 IDEE CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@]2(CCOC2)O1 485047435 CRFVKAWJPMLLBC-OAQYLSRUSA-N 427.436 1.618 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OCC)cc1 508924579 YJGYNRFKWHOLGG-SFHVURJKSA-N 435.550 1.832 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1Cc1ccccc1 532448086 HFFZDCZLWIWWLP-UHFFFAOYSA-N 435.505 1.503 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1 544140208 PCYSLZKGFMNJFE-SFHVURJKSA-N 427.486 1.199 30 10 IDEE CN(C)C(=O)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1 550038974 SBJRCGKQQIRIFN-IBGZPJMESA-N 437.548 1.454 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c(F)c1 609256938 NCLFEEWGWUKMQQ-UHFFFAOYSA-N 444.426 1.810 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 610643752 FZBYMTRZHVLDEF-XMSQKQJNSA-N 426.521 1.352 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668671 OLKCDNJUBCGNEO-UHFFFAOYSA-N 443.532 1.822 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)CC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672602 WWPKQQWNRAMYGN-UHFFFAOYSA-N 446.536 1.881 30 10 IDEE Cc1ccc(F)cc1NC(=O)C=NOCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 746700313 UXDRFFVTRICDLN-MRXNPFEDSA-N 427.498 1.747 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 747445524 VNDVJWWCNQPMEX-RCCFBDPRSA-N 433.530 1.293 30 10 IDEE N#Cc1ccc([C@@H](OC(=O)c2ccc(-n3cc(Br)cn3)nn2)C(N)=O)cc1 750420525 AGSBOZLBPAASIR-OAHLLOKOSA-N 427.218 1.680 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)[C@H](C#N)C1 754378863 IFEQXWAWDPKGOJ-HXUWFJFHSA-N 427.549 1.776 30 10 IDEE C#CCOc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 754528805 PRHMVYPUGKCJJA-SFHVURJKSA-N 435.528 1.275 30 10 IDEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755042440 QCUKAFGJTKFARO-UHFFFAOYSA-N 442.566 1.502 30 10 IDEE CO[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 786450598 WAZBQRXPZHSJEJ-WVHYYKIHSA-N 438.550 1.758 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 787346092 VNODENRYANPHNW-UHFFFAOYSA-N 436.515 1.107 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC(C#N)(c2ccccn2)CC1 800355608 ILGRUMNYMOEWQK-KRWDZBQOSA-N 441.532 1.981 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=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 800429166 AFJSMQITNLMRON-FQCQCQAGSA-N 425.510 1.765 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 812175306 MYBGAYMSGUJMHH-CVEARBPZSA-N 434.541 1.830 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccccc3-c3ccnn3C)nc2)CC1 814215921 XQIYXMJBMWSAHL-UHFFFAOYSA-N 439.545 1.864 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCN(c4ncccn4)CC3)cc2C1=O 853262480 XYMVTCAOKNBNKV-OAHLLOKOSA-N 449.467 1.153 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 1137647845 QQWSBJMMFFYQSG-HZPDHXFCSA-N 427.509 1.468 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CC2 1143080324 OKYGFOBFEUMRHY-UHFFFAOYSA-N 427.482 1.782 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2cncc(C#N)c2)cc1 1178373561 LAQMYXZPRPBYEN-ICSRJNTNSA-N 428.514 1.517 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1209908450 ANQYVBDICZOCOE-UHFFFAOYSA-N 449.330 1.931 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1COCCO1 1286275123 MZAAVZYUKFMEJU-DOTOQJQBSA-N 446.577 1.810 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286383657 MVOSFXPXPIWDCC-MRXNPFEDSA-N 446.529 1.114 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1286408612 DVIHYLKSISKAAX-QGZVFWFLSA-N 444.536 1.184 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1286416530 OZFSWVLJMOOMAJ-QGZVFWFLSA-N 428.514 1.373 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC1CCCCC1 1286418796 HPOVQADKKMMNRU-UHFFFAOYSA-N 433.516 1.837 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)c(OC)c2)CC1 1286479854 OQDJVHGBAJITLH-QGZVFWFLSA-N 428.924 1.695 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286613755 FNFZMTGWOLTKPR-QGZVFWFLSA-N 427.571 1.583 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1286773888 VESOXGUESVQGSE-MSOLQXFVSA-N 439.626 1.939 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCSCC2)C1 1286802884 FBHXPXJDWPCUAW-RXVVDRJESA-N 437.610 1.760 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)CCS2(=O)=O 1289581861 JHULASQFEFSCCE-LKYPVIHCSA-N 445.541 1.542 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1297716264 ARANPUUFCPDGRD-SFHVURJKSA-N 425.461 1.873 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)cc1 1300076307 DZAPLMGVFBSUCP-HXUWFJFHSA-N 426.521 1.529 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CCC(=O)N1CCOCC1 1300476212 YVXSDGZULKUMGK-UHFFFAOYSA-N 427.505 1.574 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300489400 NHVUZZZXQRLSJY-GHTZIAJQSA-N 427.530 1.604 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1300493063 QIDZXIYPDZTEQA-MRXNPFEDSA-N 426.502 1.620 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1300501117 HBDJRQFPXKVMTR-QGZVFWFLSA-N 431.566 1.297 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccnc1C 1300527921 MJLWJYJYMLZXDZ-UHFFFAOYSA-N 448.556 1.652 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1300556934 OPTTWYFGDLDXKB-LSDHHAIUSA-N 425.505 1.787 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1300681625 VYNABHXEZQKLML-QHCPKHFHSA-N 440.523 1.316 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)NC)CC1 1300688500 GPRKKTXDAHHFNI-UHFFFAOYSA-N 431.338 1.599 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301047572 KRKLEZCIERIYPA-AWEZNQCLSA-N 435.941 1.859 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301509470 HUGPKKQMVADTCK-JOCHJYFZSA-N 440.504 1.233 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1301947864 FWPBFJRCNJZHLQ-MRXNPFEDSA-N 444.561 1.703 30 10 IDEE COc1ncc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N 1303460461 NJMSHZAYAIRZKW-UHFFFAOYSA-N 446.485 1.820 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c1 1304319434 ANTAXTGKZCWRBO-NVXWUHKLSA-N 435.546 1.831 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1 1310131998 XGQDCSVVJHXZAX-DLBZAZTESA-N 427.548 1.677 30 10 IDEE Cn1cc(CNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 1312480036 HVJFSLSZRFMYFN-UHFFFAOYSA-N 449.559 1.974 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1316499276 QUEYDPSTBSXGCH-WMLDXEAASA-N 434.522 1.503 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1358886055 WWHFLIVTRXKAHQ-QZTJIDSGSA-N 449.559 1.854 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1358918906 KTEDSHVWZGYJOG-SFHVURJKSA-N 430.553 1.438 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1358963302 GCEDTUPRZZHELD-MSOLQXFVSA-N 436.578 1.616 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359058774 PDOHCXPQLHSIMB-LJQANCHMSA-N 426.590 1.789 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1359165344 MUVCYYMQNBILGA-ABSDTBQOSA-N 439.582 1.319 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1359189793 VPIAQCSITAVZEG-OAHLLOKOSA-N 427.571 1.438 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1359271654 AOVRHIASXGBEAY-KRWDZBQOSA-N 444.540 1.942 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359294456 UISPBDIKHYRHQE-NSHDSACASA-N 436.314 1.005 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1359301682 HPANPHQNFGECIH-UHFFFAOYSA-N 431.562 1.493 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359309779 DKZHDHQTMIUDOZ-FUHWJXTLSA-N 438.532 1.934 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359330705 AFVFWBYPRXEURD-OAHLLOKOSA-N 433.494 1.143 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C2OCCO2)c1 1360207156 SNMXGUFIDBQFRV-NRFANRHFSA-N 428.468 1.952 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C1CCOCC1 1437881096 XZGNTJYJXUSFAZ-LJQANCHMSA-N 426.485 1.910 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](N3CCOCC3)CC2)s1 1449365920 XNARWSDHYGJJLR-INIZCTEOSA-N 427.592 1.468 30 10 IDEE COc1ccc(CC(=O)N2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCOCC1 1461180761 ICQVHDXJUVOZNP-UHFFFAOYSA-N 441.509 1.673 30 10 IDEE Cc1ccc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1464652788 HVSQWDWCSKSLLM-GOSISDBHSA-N 429.370 1.611 30 10 IDEE C#CCN1CCC(C(=O)N2CCN(c3ncc(I)cn3)CC2)CC1 1470935210 NTTYNOPJWXOMDP-UHFFFAOYSA-N 439.301 1.075 30 10 IDEE CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472370005 AHVOCNZYKZFJCN-UHFFFAOYSA-N 435.465 1.856 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)CC1 1477714149 PCDYRSMWFSRFKO-CYBMUJFWSA-N 433.361 1.892 30 10 IDEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1499807874 AQCOPRFJONPBDD-ARJAWSKDSA-N 433.516 1.710 30 10 IDEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1503671422 DVLBKDLPUTUGQO-UHFFFAOYSA-N 431.426 1.678 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504598173 YHLGIJAZUXBNEE-KRWDZBQOSA-N 442.499 1.092 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)CC1 1504935641 HVEOXBBDGIKWBZ-INIZCTEOSA-N 426.521 1.831 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1Cl 1505000064 PDUIBKCUEDLLAT-LSDHHAIUSA-N 436.900 1.858 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCOC(F)F)CC2)nc1 1505318923 OCTFSIJAMPTQMV-OAHLLOKOSA-N 446.462 1.452 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCO[C@H]2C)c1 1507549972 RMFXEHOWVCLEAJ-HJPURHCSSA-N 434.500 1.869 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1507589598 XWQYALDYUJZWIE-KRWDZBQOSA-N 429.550 1.019 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507631770 TTYNMNCIPPNXML-NXHRZFHOSA-N 434.566 1.366 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1507660134 MWMRJZZIVRXVLU-KRWDZBQOSA-N 432.594 1.226 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(C)nn(C)c1C 1507703950 KGGUZHRQWSQFNA-JOCHJYFZSA-N 430.553 1.803 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@@H]2COCCO2)CC1 1507726626 JLKFUABINUQUME-OAQYLSRUSA-N 425.533 1.726 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC(C)C)CC1 1507734488 XUTSUJRTELMMDX-UHFFFAOYSA-N 430.553 1.295 30 10 IDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCC)c1ccccc1 1507851401 NQJQXQGSAUNNSY-IBGZPJMESA-N 449.577 1.797 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1507981231 HHPDDRAPUQODOA-HNNXBMFYSA-N 442.545 1.732 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1508085873 IBWKODOJRQLAOM-LJQANCHMSA-N 438.580 1.167 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508098238 ZCEHTFLODROCIB-JKSUJKDBSA-N 434.541 1.877 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1508820343 BYFRVJINILNIMS-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1510284665 GEIIZWWODZAVEV-FQEVSTJZSA-N 436.582 1.857 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)C1 1510288318 OIRDSMQWQGFGQT-IERDGZPVSA-N 425.493 1.861 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1510379274 OLIBZGPCTDMCSU-GOSISDBHSA-N 435.488 1.714 30 10 IDEE Cc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c2ccccc2n1 1510617045 DCGPOTQPZLIGGZ-HNNXBMFYSA-N 441.517 1.080 30 10 IDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1512544465 CVENLEICFUPXLA-INIZCTEOSA-N 445.545 1.779 30 10 IDEE COc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1518547028 AUTNWTRLHKVYAG-OXQOHEQNSA-N 430.534 1.762 30 10 IDEE COc1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(F)cc1C#N 1534037815 UJVMHZKMXQYPBE-UHFFFAOYSA-N 439.490 1.970 30 10 IDEE Cn1nc(I)cc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1536581219 TXYIFGPBEHRCEI-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1539210145 BBAGDUILHBFFQU-SFHVURJKSA-N 430.578 1.699 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H](C)C1 1539250779 SYGMHZCEZOGKBJ-IBGZPJMESA-N 429.532 1.726 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1539509893 ALOYWIQNMWLSNI-CQSZACIVSA-N 438.513 1.960 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCNS(C)(=O)=O)CC1 1539831180 DUSHUUSLXIOBSO-IBGZPJMESA-N 427.571 1.414 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1540028815 JAMRPFPPYXBOLV-OAQYLSRUSA-N 447.561 1.643 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1540043833 JDMMHIJPDWDWGA-NRFANRHFSA-N 443.577 1.756 30 10 IDEE C=CCSCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1540922729 WVGSKJLOWRHWDV-CRAIPNDOSA-N 430.596 1.473 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)s1 1542075309 IFOOTFFTGZHQBY-QGZVFWFLSA-N 433.555 1.845 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 1544817558 KWRFGOLAYKECRE-UHFFFAOYSA-N 445.472 1.525 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2COC(C)(C)OC2)C1 1554355950 CUTGSKQNXLRMIH-QHCPKHFHSA-N 440.548 1.719 30 10 IDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1559842193 IIGLYZBDBILYCX-WBVHZDCISA-N 429.926 1.233 30 10 IDEE C=CCN1CC[C@H](N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1559909626 JWNFIQUEEFJMKJ-FHWLQOOXSA-N 447.580 1.641 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(OC)cccc1OC(F)(F)F 1561155257 YLLQSOBVNDBKGN-LLVKDONJSA-N 429.438 1.958 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3cccc(OCC(N)=O)c3)C2)C1 1566154987 LRRVMYRIYBPHRD-WCCYLALTSA-N 442.516 1.954 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1CCC(O)CC1 1569181685 IPXIQKXCCRAIEK-HXUWFJFHSA-N 428.533 1.965 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCc1cc(Br)ccc1F)c1cc[nH]n1 1583643683 GDXQZZUUFFFJHH-UHFFFAOYSA-N 441.257 1.954 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588059707 SQJFHGWQQNCXJN-SFHVURJKSA-N 442.520 1.417 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1588074126 JPRAOQGECKSTOI-UHFFFAOYSA-N 434.500 1.113 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 1588198993 DQMXJHZZTXYFHA-UHFFFAOYSA-N 440.525 1.414 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1588219408 SIYZXWUPUJKCDK-UHFFFAOYSA-N 445.527 1.523 30 10 IDEE Cn1ncnc1C1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1594068282 CZJSNBAEIAROIB-CQSZACIVSA-N 428.880 1.203 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCS(C)(=O)=O)C1 1595700297 MHMYFVCPHCFIKA-MRXNPFEDSA-N 434.518 1.890 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OCC 1596777586 GGUDJQPBBBQQMS-INIZCTEOSA-N 448.900 1.651 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1611798281 PTLOZLWMDIPZDX-RBUKOAKNSA-N 427.505 1.884 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1612469882 HIWVZDRZNVAWEO-QFIPXVFZSA-N 437.552 1.920 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 1617951725 HWZNGIGKCQZBSD-UHFFFAOYSA-N 425.466 1.788 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1618857031 DYLSTBKAMHVLLP-RAJOGRCSSA-N 430.509 1.392 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)(F)F 1619989830 ZITRMIUWJWJYQP-ZDUSSCGKSA-N 432.447 1.811 30 10 IDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1620158781 GQYPVQMNZMPEQD-QGZVFWFLSA-N 426.502 1.370 30 10 IDEE COC(=O)CCN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1621693105 HHJCWZHWPUTJHA-UHFFFAOYSA-N 434.287 1.329 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C1 1622345061 GNHGUYWUNUQTRQ-MSOLQXFVSA-N 442.582 1.815 30 10 IDEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 1622746784 OWGZXANHNPJNLZ-INIZCTEOSA-N 445.497 1.615 30 10 IDEE N#Cc1c(CCCNC(=O)CN2CCCC3(CC3)S2(=O)=O)nn(-c2ccccc2)c1N 1624276604 BZGATCKZKCQJDQ-UHFFFAOYSA-N 442.545 1.333 30 10 IDEE CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1626182956 NZPGMBAMXLAXGD-CYBMUJFWSA-N 431.511 1.057 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1627086438 ZLZXHRQXROFEKK-IBGZPJMESA-N 434.581 1.886 30 10 IDEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Br)cc1 1629571906 WVVOAKDXQWDNHZ-HOTGVXAUSA-N 447.264 1.943 30 10 IDEE Cc1nc(CN2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)n[nH]1 1629835693 LBHOQNBAVIQEFY-JQHMZKTJSA-N 443.552 1.544 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(OCC(F)(F)F)nc1)c1cc[nH]n1 1630091966 UTRVCNKSYMLUFZ-UHFFFAOYSA-N 429.355 1.346 30 10 IDEE CCOC(=O)c1sc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)nc1C 1630571541 GNUMLAGAZIQWKP-UHFFFAOYSA-N 425.463 1.995 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 1637582378 UYPMGOUJOCOIOP-UHFFFAOYSA-N 429.546 1.389 30 10 IDEE C[C@H](CC(=O)Nc1cc2oc(=O)n(C)c2cc1F)/N=C1/NS(=O)(=O)c2ccccc21 1638734233 CRTOINQGDJLQTD-SNVBAGLBSA-N 432.433 1.726 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCC#C[C@H]2CCCCO2)cc1 1640380145 CAFCKYQVMFWIGK-SFHLNBCPSA-N 434.558 1.623 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1642451766 QPEGFTSBROKNNU-INIZCTEOSA-N 432.587 1.623 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c1 1642687089 MXUGYGHRYHTGNU-OALUTQOASA-N 440.525 1.243 30 10 IDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c1 1644101258 BCOLVSIZFHEZNG-NRFANRHFSA-N 427.530 1.828 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1644467150 XLKGGQYYNWMLKT-IJEWVQPXSA-N 428.938 1.642 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(S(=O)(=O)N4CCCCC4)CC3)CC2=O)cc1 1645246991 QOHHJALFQPNMDT-SFHVURJKSA-N 444.557 1.718 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 1645345989 BZLMLOQFHUAKCN-ZBFHGGJFSA-N 445.549 1.278 30 10 IDEE Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1652521117 KZBXUHWWUXIJNX-JQVVWYNYSA-N 446.573 1.606 30 10 IDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)C1 1653281463 NPPBYZVPHPNDMJ-UHFFFAOYSA-N 443.500 1.157 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1653457756 QMTIJFOFUZYQCY-GOSISDBHSA-N 447.557 1.323 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c1 1655788588 LZELBEKNIQWSFA-AWEZNQCLSA-N 433.452 1.824 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc3ccccc3)CC1)C2 1675451768 YICBCFUCMVBKRP-NRFANRHFSA-N 439.541 1.387 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1681592140 LDQMIMWHIHJVBA-UHFFFAOYSA-N 428.558 1.811 30 10 IDEE Cn1cc(CNC(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)c(-c2ccc(C#N)cc2)n1 1686078344 BCWXNCMZXVUZGF-UHFFFAOYSA-N 435.488 1.975 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689983555 CWXRITAFXUFXMB-QGZVFWFLSA-N 432.546 1.741 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689993416 CXMSQBZYFJSJFJ-ICSRJNTNSA-N 429.590 1.640 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCc2cnn(C)n2)CC1 1690132030 DTIMJCIDGLIMMN-UHFFFAOYSA-N 434.548 1.682 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690655388 RNXZCCRYFQZADE-UHFFFAOYSA-N 440.552 1.238 30 10 IDEE CC(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690979556 LIKZATOHGBQREN-UHFFFAOYSA-N 432.488 1.325 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@@H]1C 1692218607 IARWFCXXHMXWGK-IBGZPJMESA-N 438.580 1.791 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1692549098 IDCAMZYUUVSSPS-FQEVSTJZSA-N 438.471 1.277 30 10 IDEE CN(C)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1696608866 BHJWETUNGZQNCR-AEFFLSMTSA-N 430.534 1.023 30 10 IDEE CN(C[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1696753942 KKCJWYXJGRVZJD-CVEARBPZSA-N 448.549 1.403 30 10 IDEE Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)n1 1696862174 GHWLICCLEKIHOL-UHFFFAOYSA-N 448.531 1.797 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1696927760 RJPGFQDFRHBOCI-HRAATJIYSA-N 430.484 1.676 30 10 IDEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1697458722 DNPJQKMDWQXTTP-HSZRJFAPSA-N 447.499 1.882 30 10 IDEE COCCN1C[C@@H](Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1=O 1698074827 GTEYSMLEDMADJS-HNNXBMFYSA-N 439.520 1.431 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2CCCCCO)c1 1698485074 SMNDCKSHFLLOTO-HXUWFJFHSA-N 438.532 1.807 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCOCC1 1705492519 RUXDIIMXFKHWSX-OALUTQOASA-N 438.580 1.631 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCOCC1 1705492520 RUXDIIMXFKHWSX-RBUKOAKNSA-N 438.580 1.631 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1705570760 UCSOJTFCSCFHMI-LJQANCHMSA-N 440.504 1.473 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC 1705572846 QQDQYRNFQYBUOJ-UHFFFAOYSA-N 447.948 1.369 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1705599003 TXYMARUWGBUVKM-LJQANCHMSA-N 445.589 1.654 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1705639983 ASCXPGPWOSKMGT-UHFFFAOYSA-N 432.569 1.526 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1705687230 ASRVVYOGQZQHDZ-CYBMUJFWSA-N 429.344 1.459 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705899544 WUVXCBPLQKIYJG-UHFFFAOYSA-N 438.561 1.988 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1706936828 CEOAWKKMPVRBJJ-ZWKOTPCHSA-N 429.569 1.596 30 10 IDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1710365928 PENOKUBMFSDKLK-UHFFFAOYSA-N 426.477 1.532 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)NC2CC2)CCO1 1712883588 SSJADSDVSKYJSS-QGZVFWFLSA-N 425.449 1.641 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1722294343 GVQYFQPTCFWWBC-IEBWSBKVSA-N 425.537 1.716 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367872 YESGLXMUAURGGB-IBGZPJMESA-N 443.573 1.707 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1722432041 VOOCDHMAVJVINU-SBUREZEXSA-N 440.523 1.791 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(C)(=O)=O 1722449960 WKDLJPMZVSXRSW-UHFFFAOYSA-N 429.502 1.731 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2csc([C@H](C)OC)n2)CC1 1722450327 DJHKOKDVABIVDB-HNNXBMFYSA-N 446.577 1.993 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722698531 GYZUHPWPCQAAND-QGZVFWFLSA-N 434.541 1.389 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1722731253 ICPOFYZFDDHLGT-UHFFFAOYSA-N 431.518 1.556 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1726746743 UBOSGRBOUTVKBC-PBHICJAKSA-N 429.475 1.871 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726909759 RFYYXONWAAMWFQ-WBMIKMOSSA-N 432.525 1.558 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](COC)OC 1727008613 AQAVTELWWKKSPN-BBWFWOEESA-N 428.541 1.830 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1729593145 RENNFFUVEXPMIH-KXBFYZLASA-N 445.321 1.915 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1730537006 INYPXTPPYRTQIO-QGZVFWFLSA-N 442.501 1.623 30 10 IDEE COCCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1730913339 FVTZTCVRVPHKHB-MAUKXSAKSA-N 429.518 1.065 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740577248 WWRLXWDDNMETFZ-KRWDZBQOSA-N 440.552 1.779 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccnc(C(C)(C)C)n1 1740600916 PROVKDRFLCVSRP-OAHLLOKOSA-N 433.582 1.678 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740625539 QWYZMBYJQVQQJP-FHLIZLRMSA-N 449.602 1.686 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cccnn2)CC1 1740720202 SARMJTSDRDYWEF-UHFFFAOYSA-N 440.577 1.638 30 10 IDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCC)CC1 1740806558 AMPCEXRTJWSLHM-UHFFFAOYSA-N 446.939 1.727 30 10 IDEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740999055 WZOLPCOYZLHCEL-AWEZNQCLSA-N 447.952 1.060 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCn2cnnn2)c1 1748693057 WVHGQJYXBANQNC-SFHVURJKSA-N 449.519 1.305 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1748846675 JNLFRXXLOCDGFP-OAHLLOKOSA-N 429.477 1.031 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)COCCO1 1748956530 GFPCWIKQBLVKGQ-JOCHJYFZSA-N 430.505 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2sccc2C)CC1 1749010329 QEQHWHGXLWUUCX-MRXNPFEDSA-N 426.546 1.613 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)C(=O)C1 1749114408 BRBRGHPIOKBFPT-BBRMVZONSA-N 440.342 1.722 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2)CC1 1749303001 CQBDNPMQOOFHCM-IBGZPJMESA-N 447.561 1.846 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1)OC 1749327605 IAWDIHAKVALUQP-CTNGQTDRSA-N 440.548 1.637 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2ncccc2F)CC1 1749664205 YOHAXQBBBIRRRP-UHFFFAOYSA-N 438.467 1.619 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNS(C)(=O)=O 1750442606 YPWUYZVUCGLUCK-UHFFFAOYSA-N 433.538 1.050 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1751277047 OZTYLDBAPCYRSJ-LJQANCHMSA-N 443.596 1.881 30 10 IDEE C[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)COCCO1 1751306409 MIBBXXFLQJXKFR-HXUWFJFHSA-N 430.534 1.815 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1760116433 HEUZTNDJYCKGOQ-HZPDHXFCSA-N 443.639 1.991 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1760135312 QUNNCTSQFSVOAG-MRXNPFEDSA-N 433.516 1.697 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cn(C2COC2)nn1 1760166127 RLOFWCFEWLDWCA-UHFFFAOYSA-N 431.298 1.327 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCOCC1 1760244931 LUFNBLFCRJRTEY-KRWDZBQOSA-N 428.493 1.660 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CC 1760245768 LIAGIXDQQVPDET-FQEVSTJZSA-N 435.536 1.491 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1760509778 HOBLZWGXKWIBJH-KRWDZBQOSA-N 427.484 1.315 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760555048 VFEXBNCHZQJRHW-UHFFFAOYSA-N 449.625 1.523 30 10 IDEE CC(C)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1761506115 VIWCLEDRVFPZMQ-CZUORRHYSA-N 438.579 1.979 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCS(C)(=O)=O)cs1 1762291800 DHOLJNLSXRALGZ-QGZVFWFLSA-N 449.606 1.245 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1767852359 GZYIHKBCQCTMMS-KURKYZTESA-N 430.534 1.075 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1768287350 PYNXRZVNMRDHES-KRWDZBQOSA-N 436.513 1.066 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1770277475 BVWIRYXQOHAEOQ-WMZOPIPTSA-N 430.534 1.323 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1)OC 1770778866 DBTQCVPLFVUPGK-HXUWFJFHSA-N 428.537 1.921 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O)OC 1770779777 LCTVVSAOKZESJZ-ZPODEYMZSA-N 441.532 1.987 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771366323 LYLVXIVMLCYTEZ-INIZCTEOSA-N 447.540 1.200 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1771367336 RVIBBSDVXQLEQZ-UHFFFAOYSA-N 436.513 1.675 30 10 IDEE N#CCCN(Cc1cccnc1)C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1852753284 ARNRQROYAWXICE-HNNXBMFYSA-N 433.456 1.433 30 10 IDEE N#CC1(c2ccccc2)CCN([C@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)CC1 1853773530 NQMTTWDAPLRUAX-MJGOQNOKSA-N 429.542 1.496 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2=O)CC1=O 1855955832 PSUXKHVUDYMRJX-KBPBESRZSA-N 439.921 1.123 30 10 IDEE CN(CCC#N)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1=O 1856533454 MTEVKWZOEGRKSB-IBGZPJMESA-N 432.546 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CC[C@H](N2CCC(C#N)CC2)C1=O 1857294281 OTPLXYSKHONEEH-GJZGRUSLSA-N 426.464 1.994 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN(CCO)CCO 1870424799 QMXQZARPCNCVNT-UHFFFAOYSA-N 445.516 1.155 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1CCOCC1)n2CCCOC 1873586822 NLPHYFYBSWILOR-UHFFFAOYSA-N 442.564 1.708 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)cc1 1891558656 CKIKTSLPEJXDKE-UHFFFAOYSA-N 443.920 1.694 30 10 IDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)c1 1892117319 FKIVHUIWMCUQAF-UHFFFAOYSA-N 446.485 1.623 30 10 IDEE C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1CC(NC(=O)OC(C)(C)C)C1 2014679583 ZVURAZYNZCGNCC-FXAWDEMLSA-N 427.549 1.820 30 10 IDEE C#CCOCCOCCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2069485778 AKVPHKGLPYKDHF-XMMPIXPASA-N 445.560 1.938 30 10 IDEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124522890 YZSRJXQVYOQISO-DZGCQCFKSA-N 448.329 1.739 30 10 IDEE N#Cc1cc(Br)ccc1CN1C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C1 2174571187 POIHZFISUAGDTC-AAEUAGOBSA-N 433.228 1.675 30 10 IDEE N#CC1CN(S(=O)(=O)N[C@@H]2COC3(CCN(C(=O)OCc4ccccc4)CC3)C2)C1 2174786553 KWHBWXMMSUTVKO-SFHVURJKSA-N 434.518 1.236 30 10 IDEE C=C(CS(=O)(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247961634 HOIVGZLPFBIUEJ-HNNXBMFYSA-N 448.391 1.711 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254801022 PWCIVTZZSMRLHD-ZIAGYGMSSA-N 437.321 1.984 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628665 LAIQMHOFBLZIGM-WDEREUQCSA-N 430.236 1.381 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2255635316 XYFNCBHGNPCYMU-UONOGXRCSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851935 XMDJHLXSMXHTJQ-OAQYLSRUSA-N 436.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H](O)C1 2255853588 RZWWXICQEJXJTN-HNNXBMFYSA-N 435.330 1.368 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2255875349 WQTKSGAPNGDNCQ-HUUCEWRRSA-N 431.342 1.919 30 10 IDEE C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255941939 LFYJGNWYXWQSQR-MRXNPFEDSA-N 448.398 1.518 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2260827845 PSYXIQUUDYLFMT-AXRLAVGBSA-N 438.330 1.694 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 2267264114 NQYJNCPGARNZFA-CQSZACIVSA-N 449.361 1.634 30 10 IDEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@H]1NC(=O)OC(C)(C)C 2267264845 XKARKAWGYAIKHG-WBVHZDCISA-N 449.357 1.688 30 10 IDEE C[S@](=O)C1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267357322 UHHREAINKPBOEW-DEOSSOPVSA-N 425.790 1.452 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267564188 SBJUOSFPMSOTLO-WMLDXEAASA-N 449.357 1.662 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2267597349 PLANFLSFKBJIFW-MRXNPFEDSA-N 449.357 1.690 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268628221 DYZNRWXAYDEZRN-ZBFHGGJFSA-N 447.341 1.937 30 10 IDEE N#CCCN(CC(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270511489 ZVXRCUIDQMJOSC-CYBMUJFWSA-N 437.396 1.474 30 10 IDEE COC(=O)CCNC(C)=C1C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O 2297591115 BUDKZUASMUODEV-QFIPXVFZSA-N 429.425 1.721 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2312855027 OTPZOLCLDHHBKF-NFAWXSAZSA-N 432.330 1.694 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315607770 YZMJKDTWXHCAFM-ZIAGYGMSSA-N 434.346 1.705 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1sc(Cl)cc1C#CCO 2320724668 ORSPBLXLSMWGSE-UHFFFAOYSA-N 438.914 1.461 30 10 IDEE CCCC/C(C)=N/Nc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1 59891494 HJUCYYDIUIVADY-QGMBQPNBSA-N 443.584 1.942 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 105790932 FWSGFYJJHXFQIC-UHFFFAOYSA-N 430.534 1.219 30 10 IDEE COCCS(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 428422544 MMLXCIBVERHHAP-UHFFFAOYSA-N 426.491 1.737 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1 433947812 BANBLGSWISPWNH-UHFFFAOYSA-N 428.514 1.247 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)ccc1C 446111392 JGMPVXJSKRKGAV-QGZVFWFLSA-N 439.537 1.188 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 466527855 MGUXDWQVKNQLDG-HUUCEWRRSA-N 426.912 1.896 30 10 IDEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCO[C@@H](C#N)C2)C1=O 474446337 OUDFCBGHNBBFIM-KSZLIROESA-N 428.489 1.604 30 10 IDEE Cc1ncc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1C#N 489878074 ZAMRCTWHZCCSKF-UHFFFAOYSA-N 432.886 1.311 30 10 IDEE CC(=O)NC1(c2noc(CCC(=O)N3CCN(C(=O)CC#N)CC3)n2)CCCCCC1 503641437 CWLWPQXZYWOARM-UHFFFAOYSA-N 430.509 1.272 30 10 IDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)CC1 505001928 CCYRZCGGJKNQPY-UHFFFAOYSA-N 445.495 1.577 30 10 IDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 509000567 UAUXOFKYEVQSNL-UHFFFAOYSA-N 442.911 1.251 30 10 IDEE COc1ncc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cccc(C#N)c3)c2=O)c(C)n1 539533313 PNXLZVQTVASGQI-UHFFFAOYSA-N 432.505 1.525 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@@H](C)O1 540784027 JQXSTVHUGJEMIE-CALCHBBNSA-N 432.546 1.354 30 10 IDEE COc1cccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 585824436 REUGIICBCMNVOH-AQFFIDQGSA-N 447.491 1.811 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccc1 603791338 AORHGEXWUVAMSA-UHFFFAOYSA-N 445.544 1.514 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 609253598 CVPLZQSCNNEMSR-UHFFFAOYSA-N 432.477 1.922 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc2C1=O 610118059 VKZNZVYHKOOVKH-UHFFFAOYSA-N 448.435 1.975 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)OC)c1 729975266 DEMSGZPXGAVKGP-QGZVFWFLSA-N 432.473 1.499 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730140240 FAXYJBAVPVLFPB-MRXNPFEDSA-N 439.969 1.476 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 730246650 DBJAWMQCOXKGPD-MRXNPFEDSA-N 435.546 1.975 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 732153510 IFXPUKIKKDCLKN-HLNJFSBGSA-N 433.468 1.065 30 10 IDEE C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)O1 732706620 LVJWAPQUINQHOZ-HLIPFELVSA-N 425.533 1.433 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 753752510 KQZHXSYURZCDGA-DOMZBBRYSA-N 442.538 1.175 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2=O 757592159 JBGWTUAYFJVSOK-IYOTWJRTSA-N 433.509 1.362 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@@H]1CCCO1 761835846 LGUYNAWKIAUTSI-AWEZNQCLSA-N 442.566 1.204 30 10 IDEE CC(=O)N[C@H]1CCCN(C(=O)CON=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 769841616 IDFCFTMQTPPLNB-SFHVURJKSA-N 447.536 1.475 30 10 IDEE COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772900981 QENZEYYJPARHFQ-UHFFFAOYSA-N 446.598 1.337 30 10 IDEE C#CCN(C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)[C@@H]1CCS(=O)(=O)C1 774186644 LQTFLNBCYSRRHB-LJQANCHMSA-N 426.498 1.666 30 10 IDEE N#CC1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN(Cc2ccccc2)CC1 778113089 LSZLNMZHPZCBOU-UHFFFAOYSA-N 437.525 1.400 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C#Cc4ccc5c(c4)OCO5)CC3)C2=O)n(C)n1 780564537 DMKFYXKWPZFPFK-IBGZPJMESA-N 449.511 1.149 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 788819973 MIQZZLQKXGBFNR-UHFFFAOYSA-N 432.546 1.834 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)n1 788968571 PQQCJVBQADTETD-INIZCTEOSA-N 433.534 1.344 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC2(O)CCC2)C1=O 790017043 XKOSMHSOFJMOIL-SFHVURJKSA-N 443.573 1.863 30 10 IDEE CON(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1Cl 791029322 BDUVBUJRGSXEIH-UHFFFAOYSA-N 449.920 1.751 30 10 IDEE COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 792228226 IEBCWRGZXKZAGK-CCEZHUSRSA-N 427.244 1.583 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)CC2)cn1 805091374 IFWCCADXECEOAG-UHFFFAOYSA-N 437.525 1.690 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 816692301 LGIUZYNXSNEIOC-ZDUSSCGKSA-N 436.317 1.500 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 917442499 DVGBQODZETXRAS-UHFFFAOYSA-N 433.467 1.773 30 10 IDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)cn1 1083887556 LDXHVNAIVWPOES-UHFFFAOYSA-N 443.493 1.675 30 10 IDEE Cc1csc(NCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1141918511 CSOBGJYMDAZABD-UHFFFAOYSA-N 433.559 1.952 30 10 IDEE C=CCC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)C1 1177698940 MYZCIDDIBYONKF-UHFFFAOYSA-N 428.470 1.832 30 10 IDEE CN(Cc1cc(C#N)cs1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1179367320 ZAMFBXVBEHJNTJ-UHFFFAOYSA-N 426.907 1.309 30 10 IDEE C#CC1(F)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 1197540884 NQDYVTVEYVSFRG-UHFFFAOYSA-N 436.509 1.497 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCOCC1 1286451944 FMMRGGIFJCIPOF-GOSISDBHSA-N 442.539 1.916 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC1(C(N)=O)CCOCC1 1286463893 OGILXVCECAFYJL-UHFFFAOYSA-N 431.924 1.967 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1286607879 LBTXGYZVXGWGIS-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCN(C)C2)CC1 1286664838 JHZFYRLTMUNJHN-NRFANRHFSA-N 430.578 1.739 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286783072 FWCBQGFWZLODSI-UHFFFAOYSA-N 445.955 1.990 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1286785033 CPJRGFMEAAKCJD-UHFFFAOYSA-N 445.527 1.913 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)NC(C)C)C1 1286810368 QAMMHBMATSJJOW-IRXDYDNUSA-N 427.571 1.629 30 10 IDEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1296468638 BYYXKTLRZHGJRK-SFHVURJKSA-N 442.520 1.495 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1299049937 CRIIPIGUMIUHAH-HRAATJIYSA-N 425.468 1.273 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)c1ccccc1 1300304767 QLWKJXYISKENIR-HNNXBMFYSA-N 441.513 1.938 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301023524 UEDPQEMKRJDMAS-PBHICJAKSA-N 428.493 1.368 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1301509273 FEBIQOVIDSCZAH-UHFFFAOYSA-N 436.520 1.177 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301514722 MEKBMCAKHMGAIP-RTBURBONSA-N 445.495 1.683 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2sc(C)nc2C)C1 1301537504 BFNRHXDELYXTLE-HIFRSBDPSA-N 440.595 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1301577571 LWFDRJSWTFTZLE-GOSISDBHSA-N 447.561 1.196 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1301967677 FPPAZLNRMYAQBB-FXAWDEMLSA-N 442.589 1.834 30 10 IDEE N#C[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCCO)CCO1 1303003325 FLPKTGVWLHHTEX-IBGZPJMESA-N 440.552 1.734 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccnc1-n1cccn1 1303802713 BJTAHQWRUSGADP-HUUCEWRRSA-N 443.537 1.256 30 10 IDEE C#CCN(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1312833165 GBQAOZHIBNMNPU-HNNXBMFYSA-N 427.473 1.133 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1312899908 ONIUYEIUEBIFIX-IBGZPJMESA-N 440.525 1.620 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)c1 1354749791 MOEYTCAFJURUGX-WBODNSOJSA-N 446.451 1.753 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1 1355669404 QDZQYZXAXNMUOW-HIXSDJFHSA-N 439.497 1.848 30 10 IDEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1358915919 UDXZQRWQQOPSGV-UHFFFAOYSA-N 447.547 1.202 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1358978890 XLANOQRARTXFPD-NRFANRHFSA-N 437.569 1.311 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1359165347 MUVCYYMQNBILGA-ZWOKBUDYSA-N 439.582 1.319 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN(C)C)CC1 1359165419 OKNTWMWPHXTLGY-QGZVFWFLSA-N 440.614 1.355 30 10 IDEE CC(C)(C)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359549728 ZMKCBBHTHLKZGJ-OSCRUYLVSA-N 443.552 1.229 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1nccs1 1435400369 ZXKRAFDSNRDIIU-UHFFFAOYSA-N 432.527 1.276 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1446992964 YSUHIWYNPUXMDB-KMFGOTIKSA-N 440.566 1.313 30 10 IDEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1452457737 SASADCKQMVKZRE-PMPSAXMXSA-N 434.562 1.786 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 1452936748 QYOQWAYDQVHNHE-OAQYLSRUSA-N 426.510 1.442 30 10 IDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1C 1459201824 XWUXYAIXODMTCD-UHFFFAOYSA-N 439.900 1.697 30 10 IDEE C=CCN(C)CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1460033733 URZYTNNXVRIIPW-UHFFFAOYSA-N 443.013 1.613 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1464507663 SVQCIGBIYOQXNK-BBWFWOEESA-N 428.551 1.488 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1469877796 VCYPTNKGCPQRSU-UHFFFAOYSA-N 428.457 1.823 30 10 IDEE N#Cc1cn(CCNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c(=O)nc1O 1470360254 DZLZFSJIGQXMAF-UHFFFAOYSA-N 426.383 1.203 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)C1 1476110155 SHAORAUTADPUFI-FQEVSTJZSA-N 426.565 1.116 30 10 IDEE Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1492974014 AHFVEQCTECUNDH-XPAQORTPSA-N 443.508 1.216 30 10 IDEE CO[C@@]1(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)[C@H](C)CC#N)CCOC1 1504048120 GLNXWKUOINUFOI-IVZQSRNASA-N 437.504 1.736 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccccc1F 1505001632 UQFUCTUPJRXWSZ-JKSUJKDBSA-N 446.483 1.300 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1505136966 GTJQEENYWASCLT-HDMKZQKVSA-N 426.518 1.243 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507574356 NBGWAAVJTCUZJL-OAHLLOKOSA-N 440.570 1.359 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507635712 YUPXQQZZLNEBLZ-CYBMUJFWSA-N 449.499 1.172 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1507669681 PLNFAUPRUTUOGE-LJQANCHMSA-N 428.562 1.547 30 10 IDEE C=C(Cl)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507853041 GHIYYOXMAGOHAM-DZGCQCFKSA-N 448.886 1.457 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1508080416 AOSQTHFGBMBVTI-UHFFFAOYSA-N 431.500 1.605 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)C1 1508123611 IZVCDYCUAMDQCV-ZWKOTPCHSA-N 447.561 1.191 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1508137676 PWZPVBGCEWWZAQ-UHFFFAOYSA-N 439.545 1.663 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1516203471 YXAPULMOAOKZIA-FQEVSTJZSA-N 449.533 1.457 30 10 IDEE COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1=O 1516486601 PDPMFOFIKSWSMC-QGZVFWFLSA-N 426.473 1.620 30 10 IDEE COC1(C(F)(F)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1517870572 OEBVORYDZIZFJA-KRWDZBQOSA-N 448.474 1.824 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1518959692 DRFAJAWYLOAYLO-FXAWDEMLSA-N 433.534 1.228 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C(F)(F)F)cs2)CCO1 1521128941 HMYPIHOLBNKFMJ-QWRGUYRKSA-N 441.439 1.676 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)cn1C 1525675865 GSZHECXXOGYMQA-UHFFFAOYSA-N 428.927 1.750 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1538973564 NUSOHTHMNYUBFK-BZNIZROVSA-N 442.339 1.043 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1539017314 ZJQVIMQRBUMZGH-UKRRQHHQSA-N 438.579 1.136 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539127550 LHNXMTCXFZLTFX-UHFFFAOYSA-N 448.531 1.734 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1539361865 HPARIIBVIIZGSW-DLBZAZTESA-N 428.562 1.824 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nccn1C(F)F 1539395285 BYDOVAIKVBBEJS-UHFFFAOYSA-N 430.419 1.651 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1539802964 CJIJHIVZNHFEQM-CQSZACIVSA-N 429.974 1.674 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCCCO)C1CC1 1539803248 HNVOZTGZODUNPF-OAHLLOKOSA-N 433.962 1.105 30 10 IDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCC)CC1 1539990595 MLVRHTPLKDQSRF-UHFFFAOYSA-N 440.548 1.941 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(N)(=O)=O)cc1 1540069402 OKOOQDOTEHATFC-UHFFFAOYSA-N 444.517 1.518 30 10 IDEE COCCn1ncc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1C 1540832042 DLEXCXQQSNQESG-UHFFFAOYSA-N 425.468 1.979 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540873564 CDRQMBVZHRTNQS-FQEVSTJZSA-N 436.560 1.957 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1540875246 FQABLIOMWSPDEF-QFIPXVFZSA-N 427.505 1.463 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1544085772 HYYKSUGYNRJYPL-QFPXGYFVSA-N 429.525 1.569 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNc1ncccc1C(F)(F)F 1544537914 IOSIAQRCNLHEOB-LBPRGKRZSA-N 441.435 1.867 30 10 IDEE CC[C@H](C)c1nnc(N2CCC3(CC2)COC(=O)N3)n1CCN/C(O)=C1/N=CC=CC1=O 1545454536 WLYPMBMMSBDIOT-HFUDNHEJSA-N 443.508 1.397 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1561956774 AWZCHMRAUVXMRR-UHFFFAOYSA-N 432.315 1.405 30 10 IDEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1568162592 BNZPBGHUOZTOGC-OAHLLOKOSA-N 446.916 1.837 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1587639308 KWDKVHPZHRJLPU-FUHWJXTLSA-N 432.546 1.712 30 10 IDEE C#CCCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1587793241 KIABYYDELASYFO-AUSIDOKSSA-N 445.564 1.561 30 10 IDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1587827551 PKNGQYANLPGBOV-UHFFFAOYSA-N 444.517 1.900 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588029419 HSNGOOXIIAGPLH-INIZCTEOSA-N 439.582 1.943 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588065206 VYQXQXPWYGHCMM-SFHVURJKSA-N 447.605 1.683 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1588265490 BNRMPPNUJVYURT-GOSISDBHSA-N 444.605 1.992 30 10 IDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOCC1 1593704273 TUPNWEYHEFMPSC-UHFFFAOYSA-N 434.566 1.976 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1593752850 RKCARAXHJODLBU-IBGZPJMESA-N 425.537 1.897 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)cc1OC 1595536705 FWTPMMWWCXNVTR-INIZCTEOSA-N 428.493 1.185 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CCC2)C1 1595720844 CGBVTUFTBAZJPR-GKWFENNMSA-N 442.607 1.263 30 10 IDEE COc1ccc([C@H](CO)CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1611433441 HFDRUMMYGIOVKX-ZBFHGGJFSA-N 431.514 1.405 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)[C@]4(C#N)CCCOC4)CC3)[C@@H]2C1 1618085101 DIPSISXFPIMEHF-JLHGSKIFSA-N 448.520 1.738 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1618757768 HOFSOIUQMVJXNE-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCCC2(C)C)CC1 1619548216 KXSMMCOBSGTDLT-LJQANCHMSA-N 438.532 1.927 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1619553024 ABOSXAYQQSRWSE-QGZVFWFLSA-N 430.484 1.533 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 1623722496 YNYOBERNQSVWII-ZACQAIPSSA-N 430.567 1.898 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2)C(=O)OC 1626187789 IUPOFRNDEAEOQG-DLBZAZTESA-N 429.473 1.759 30 10 IDEE N#Cc1cn(CCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(=O)nc1O 1628230717 WYYKZHMHGUIFMD-UHFFFAOYSA-N 443.332 1.255 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1Cl 1629553635 FWHWYIZDZKEPKI-AWEZNQCLSA-N 436.921 1.201 30 10 IDEE C=CCC1(O)CN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1634492593 QWMVWGJSLKDWEM-UHFFFAOYSA-N 427.479 1.154 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1635022204 VOOMKGAVZFGJEG-LBPRGKRZSA-N 438.930 1.259 30 10 IDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1636987779 RKVSADSJECJGIF-UHFFFAOYSA-N 442.494 1.212 30 10 IDEE C#C[C@@H](CO)NC(=O)COc1c(I)cc(Cl)c2cccnc12 1637747143 XMIAQSAPZKQKOH-VIFPVBQESA-N 430.629 1.982 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)c1 1644934185 LJGCWTMOFIJSKF-UHFFFAOYSA-N 443.403 1.238 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(N4CCOC4=O)CC3)C2=O)cc1 1646490645 FALGSVKASQWUHR-QGZVFWFLSA-N 425.445 1.206 30 10 IDEE Cc1ccc(C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)cc1S(=O)(=O)NCC#N 1647942835 SWNUAOJCNUEXSU-OAQYLSRUSA-N 441.513 1.328 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1652160286 RFXOHLYQBSQCGF-GDBMZVCRSA-N 436.534 1.456 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3cnc(C#N)c(C#N)n3)C2)CC1 1655010923 QBNLXQQJNUZILH-OAHLLOKOSA-N 425.493 1.516 30 10 IDEE COc1ccc(C[C@H](CO)CNS(=O)(=O)N(C)C[C@@H](C)C#N)cc1Br 1663387772 ABIVVFCUUMXOCF-JSGCOSHPSA-N 434.356 1.535 30 10 IDEE C#CCN1CCC(NC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1675739128 RQSQHHNHXMEAOC-FQEVSTJZSA-N 430.549 1.474 30 10 IDEE COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 1676113165 NWAQFVHMVRWADU-MJGOQNOKSA-N 436.534 1.016 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)nn1 1686848013 WHKLXTJWTDBNKT-OAHLLOKOSA-N 432.525 1.328 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1689901171 DANCHQPQFSFXAU-JOCHJYFZSA-N 425.537 1.690 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1689989921 JTVMKFOQSONOMD-ROUUACIJSA-N 437.610 1.734 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1689996527 JCFDAXPGOYTWNB-HNNXBMFYSA-N 437.497 1.054 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCOCC2)CC1 1690134904 KABHLFCRIBMVIS-NHCUHLMSSA-N 444.624 1.674 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1690852578 GRIYBSIQVHNAME-DNTCVELPSA-N 429.525 1.060 30 10 IDEE CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1696602803 HKWDEWCOMSLDIA-PMACEKPBSA-N 444.540 1.805 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1696655412 UKTJPSHTNLZLQA-UHFFFAOYSA-N 447.565 1.059 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1696942628 MDRZUOLLDKFBRI-VQTJNVASSA-N 438.532 1.975 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C[C@@H]1C 1697076433 DJEKARMFDJYYES-YCRPNKLZSA-N 426.477 1.245 30 10 IDEE COc1cccc(C(=O)NCCn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1697499029 LTUAXZUBQBEVDR-UHFFFAOYSA-N 433.472 1.560 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705502214 DNVFRNMHNFWTOM-QZTJIDSGSA-N 431.562 1.905 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705525053 XOCOCYCOBCJHLX-GFCCVEGCSA-N 445.471 1.537 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1705531437 JYUWXFYONJAFRS-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1705565208 UBWAIHATMJUZBP-IRXDYDNUSA-N 448.545 1.242 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1705573879 PMSXFVMENOFMOH-MRXNPFEDSA-N 438.513 1.664 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705640370 ORLIZOVOEXIAEE-UWJYYQICSA-N 445.514 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1705930229 IWQWLWBIMWXBND-UHFFFAOYSA-N 435.554 1.093 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705936421 QMWLHVQBWKHXQH-UHFFFAOYSA-N 435.594 1.985 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC1CCCC1 1706871198 NQVWDMWTBUYCJV-KBXCAEBGSA-N 428.534 1.680 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1712846019 FUVNDIWPAIOQAO-AWEZNQCLSA-N 429.506 1.267 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722290184 DBQXEUSWGQQHCB-KKUMJFAQSA-N 428.459 1.340 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1722309323 WTZQBKXABCAQDF-LSDHHAIUSA-N 438.579 1.726 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722370885 RJYFCVAOCFFLJA-FUHWJXTLSA-N 433.534 1.604 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)on2)n1 1722429693 PZBRJZZCLSMPKZ-SFHVURJKSA-N 438.492 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722443627 XXCXJVVOUVPRNW-ZWKOTPCHSA-N 427.505 1.352 30 10 IDEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722599308 GOWYGNUBQTVNRI-SFHVURJKSA-N 432.569 1.655 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)nn(C)c2C)nnc1[C@]1(OCC)CCOC1 1722703857 JRNOXNJGZLMPHD-NRFANRHFSA-N 431.541 1.219 30 10 IDEE CC1(C)C[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1724018843 BUISDMWZCWLOQR-QWQRMKEZSA-N 426.518 1.099 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)COCCO1 1724041521 VECHXQYCUCXVQK-OAQYLSRUSA-N 445.545 1.636 30 10 IDEE CCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729164965 FCPQDYOLTAJKNS-ICSRJNTNSA-N 441.536 1.632 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O)C1CCN(S(C)(=O)=O)CC1 1729351277 CXCIURXXWAFQRN-UHFFFAOYSA-N 432.550 1.448 30 10 IDEE COc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1730172983 ZLZWOGQMQUGCDH-UWJYYQICSA-N 428.493 1.499 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1730869048 LMDOISBQIMAQLL-QRQLOZEOSA-N 432.569 1.994 30 10 IDEE COCCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1730915055 RJKDPOXEAYFQSA-CQSZACIVSA-N 439.314 1.818 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731187232 KNEWFXIKYLUDPR-RYQLBKOJSA-N 428.468 1.342 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)CCOC)c1 1740564414 MHDRLANAWJZNGK-MBSDFSHPSA-N 441.532 1.626 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740570162 BORLADVHMAUCOS-MOPGFXCFSA-N 425.537 1.751 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1740637887 DRGDTOWIFPZRRU-OAHLLOKOSA-N 436.497 1.101 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1740638115 JOMHNRSPBCMSHV-UYAOXDASSA-N 443.548 1.695 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCC1 1740681113 BMFDQSSUZWRULW-UHFFFAOYSA-N 435.536 1.493 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C)c(C)s2)CC1 1740689676 GODRNNYSVSVNJU-UHFFFAOYSA-N 436.545 1.802 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(CC)c2)CC1 1740693072 SOUJXIXDUTZEGH-JOCHJYFZSA-N 427.553 1.339 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)O)CC1 1740707043 MPDBLIVDONLHHG-UHFFFAOYSA-N 425.533 1.614 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)c(O)c2)CC1 1740707792 PVKACJKMEQUOIE-UHFFFAOYSA-N 427.505 1.543 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1740709060 ISCQOFYEBMSUAJ-GOEBONIOSA-N 439.563 1.426 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740718662 TUWAZSHSTFLJPE-SFHVURJKSA-N 448.593 1.460 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740820643 LNFFUXNUVRSLEI-NRFANRHFSA-N 448.545 1.668 30 10 IDEE C=CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740871373 XYWXNHASLLTTHN-GOSISDBHSA-N 448.568 1.239 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1740875958 AVKIJGRVFCIDQD-INIZCTEOSA-N 425.555 1.194 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740946857 KMTMBBZTSDCXGE-DLBZAZTESA-N 425.555 1.050 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1740949497 IQWPAABIWNYDNQ-INIZCTEOSA-N 434.541 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740957438 OCSBNXDUHCOZID-UHFFFAOYSA-N 433.516 1.467 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1740964550 QPOQWLYGGXXCAR-UHFFFAOYSA-N 428.541 1.357 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](COC)C1 1740985133 BVMIFKZKTJPFOA-QGZVFWFLSA-N 439.582 1.368 30 10 IDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1744697186 PTQXXYWEESNEER-VQIMIIECSA-N 425.512 1.500 30 10 IDEE CCOCc1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1747254177 SKOTUKCTVWBPEY-QBEKEKFNSA-N 444.536 1.594 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747596712 LIIHKHAULAVENT-NRFANRHFSA-N 434.548 1.572 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1747617332 CSGMWJYTOZFYFH-QGZVFWFLSA-N 435.575 1.556 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(NC(=O)OC(C)(C)C)COC1 1748638240 LMFLNXNQPPZKHI-HNNXBMFYSA-N 448.568 1.948 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1748751417 HFQZIIXSBJIIKX-DLBZAZTESA-N 425.555 1.030 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748765776 UDEKGPIAHQFTHP-KRWDZBQOSA-N 444.561 1.498 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1748978815 PJZZTJSSUJJJGX-NFBKMPQASA-N 430.597 1.417 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1749038477 KIKDIQISMHMEQF-LSDHHAIUSA-N 435.579 1.017 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749227042 YSQFQOQROCCKKX-PMACEKPBSA-N 445.612 1.427 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749415794 UYHWVDNMJVNKPR-HDICACEKSA-N 433.534 1.723 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1749558964 ZTHWYNJPSZXSLG-GBESFXJTSA-N 443.596 1.595 30 10 IDEE C=CCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1749646706 XVMOFTZCCIXKEA-NFBKMPQASA-N 448.612 1.347 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749655604 NBJNFBJLTBRCHH-FQEVSTJZSA-N 425.449 1.014 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CC2)C1 1749718490 WQHXIQWCZORAJJ-QGZVFWFLSA-N 434.566 1.498 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760151023 RRMOUIGYPGTNKR-GOSISDBHSA-N 446.577 1.630 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1760202799 NINNJLVOPJGTKB-QGZVFWFLSA-N 438.536 1.642 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1760263956 VYOPRVSBCMCPQV-QGZVFWFLSA-N 425.533 1.950 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(C)=O)CC1 1760503498 KGVQELXIODSWIH-UHFFFAOYSA-N 444.536 1.903 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760515570 YAXPYZGBAOEJJP-KXBFYZLASA-N 442.520 1.730 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1760526963 KEOWTYIFUFDOPF-UHFFFAOYSA-N 430.597 1.862 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCn2c(O)nc3ccccc32)C1 1760534818 GRYKIOFWJNELCB-MRXNPFEDSA-N 439.520 1.953 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCNc1ccccn1 1761478847 QDMYIFQWSVNQSH-OAHLLOKOSA-N 432.554 1.525 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)COCC2 1761483226 UXVUOBNZIONCJN-JLTOFOAXSA-N 448.524 1.451 30 10 IDEE CC[C@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1765105362 BQLYZTLNMSYAKS-IBGZPJMESA-N 437.548 1.929 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)NC)CC1 1765351847 FXZNXRNWPWXNAK-UHFFFAOYSA-N 433.520 1.829 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766932405 MFTDONMKBYCHDO-SFHVURJKSA-N 444.971 1.748 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1)C1CC1 1771354517 AHSVXASPEKNWIN-HXUWFJFHSA-N 447.586 1.698 30 10 IDEE C=CCN(C(=O)c1nnn(-c2cc(Cl)ccc2OC)c1COC)[C@H]1CCN(C)C1=O 1850861700 DZZUZDJRMNKYQX-AWEZNQCLSA-N 433.896 1.935 30 10 IDEE C=CCOC(=O)[C@H](NC(=O)CN1CCOC1=O)c1ccccc1I 1850892967 DGRFBKBOCIRANG-CQSZACIVSA-N 444.225 1.630 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CCC(=O)N2Cc2cccs2)CC1 1852158351 COOCDWDEQKDLBH-LJQANCHMSA-N 439.541 1.871 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)C(=O)C1 1853947441 PLSOQJSCEJQCTG-UHFFFAOYSA-N 433.873 1.650 30 10 IDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(S(=O)(=O)CC(C)C)C3)CC2=O)cc1C#N 1855037002 UVUFFESDMVWNBA-IBGZPJMESA-N 432.546 1.211 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC 1866801474 YONLJZVQYPIZSB-CQSZACIVSA-N 445.497 1.883 30 10 IDEE CCN(CC)CCNC(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934052 XNMAGWAOKGGCSA-LJQANCHMSA-N 446.548 1.934 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1872901801 HNQMKYPPLYMTAN-IBGZPJMESA-N 443.544 1.636 30 10 IDEE CN(CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1)c1ncccc1C#N 1891052559 YFFZGBQFPOVVMF-IBGZPJMESA-N 445.589 1.832 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1985852862 HRBSBGJVTVFFRL-GJZGRUSLSA-N 428.530 1.965 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243673828 AXVJLBJJLAFPAK-CQSZACIVSA-N 426.344 1.549 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2255526392 SMHLPLQUGIOOQZ-CQSZACIVSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255530729 VSMAFJVRUGTUFD-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(N)=O)Cc1ccccc1 2255640202 SMWRBGVJCGUUQH-UHFFFAOYSA-N 426.326 1.546 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(C)(NC(=O)OC(C)(C)C)C1 2255648748 NJLLAPMUENIPNO-UHFFFAOYSA-N 434.346 1.895 30 10 IDEE CO[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255650139 NVLUUQADOMCPLO-LSDHHAIUSA-N 436.314 1.943 30 10 IDEE CCc1nn(C)c(C(=O)NCCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255822232 LCZRGJKEZZDQFZ-UHFFFAOYSA-N 436.362 1.878 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H](O)C1 2256676957 SQXYMLVOLKIZKR-IPVJXJPOSA-N 433.314 1.738 30 10 IDEE COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2261075218 XMVYNENXCKVVPW-HNNXBMFYSA-N 438.330 1.974 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267162938 DGTOQESANIEAQW-IYBDPMFKSA-N 444.341 2.000 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267517519 UYDFAFROJHFFSE-GJZGRUSLSA-N 448.329 1.169 30 10 IDEE C[C@@H]1C[C@@H](CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267549250 LAXLUDKCALEPAM-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2267600823 MOOGLHWTHQWSJX-NUEKZKHPSA-N 444.341 1.904 30 10 IDEE Cc1cc(S(=O)(=O)N2CC[C@H](C3OCCO3)C2)sc1B1OC(C)(C)C(C)(C)O1 2267706284 VEBOOTRTQSUWEZ-ZDUSSCGKSA-N 429.369 1.739 30 10 IDEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1C 2296935987 SJPHGTDQNBPASD-SFHVURJKSA-N 426.473 1.796 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2315533530 MUZHBLOZITZUPS-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE C#CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 13795219 HDLLBUYSYJCILY-YSGBTYPNSA-N 437.543 1.595 30 10 IDEE Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 33923282 XJECPOXGOVEQQF-PDERCVKFSA-N 448.483 1.320 30 10 IDEE CO[C@@H]1CN(c2ccc(C#C[C@]3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)C[C@@H]1O 40616236 NDEOTZXSBKCQLS-GSLIJJQTSA-N 433.552 1.677 30 10 IDEE in-vitro CCOc1cc(/C=C\C(=O)[C@@H]2C(=O)C=C(C)OC2=O)ccc1OCC(=O)N1CCOCC1 105640276 GXDSEFSQCKUJQW-NAMKQITDSA-N 443.452 1.551 30 10 IDEE N#Cc1cnn(-c2ccccn2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 170498124 WOFUFQNCSJKCCK-UHFFFAOYSA-N 431.368 1.672 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H](N4C6)[C@]2(O)[C@H](OC(C)=O)[C@@H]1[C@@H](O)[C@H]73 257501922 OGNUSOJAYIHLNS-JIXVJJPMSA-N 429.513 1.021 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CCO1 409571137 TTYKPTACVURTAU-FQEVSTJZSA-N 438.513 1.552 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 441792665 SXKDHRPLEYVIPC-OAHLLOKOSA-N 432.492 1.738 30 10 IDEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1 466106128 YSRMZNBIIWHHKA-OALUTQOASA-N 427.549 1.769 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)NCC)C2)cc1 473329122 UDNLGIRGZTVWIO-GOSISDBHSA-N 427.505 1.359 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 478753803 GXFOAOMVTCAASA-MRXNPFEDSA-N 443.544 1.818 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(OC)c1O 478957839 IUMFIUNBUGGIFB-UHFFFAOYSA-N 431.470 1.428 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 508880148 JSSRUIPWGMHCMA-GOSISDBHSA-N 442.545 1.945 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2OC)CC1 509003923 ZJTUKLCOSURVPH-CQSZACIVSA-N 438.529 1.549 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 514307470 VTOKYVFXCOEJIP-GOSISDBHSA-N 441.553 1.515 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 514835194 CCHSGALUDRPZIN-UHFFFAOYSA-N 443.544 1.499 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1Cc1ccccc1 533120392 WXWPLIBNLPTCQF-UHFFFAOYSA-N 435.553 1.594 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@H](C)C#N)C3CC3)CC2)cc1 533137160 AKRNIHSLOKHNGB-MRXNPFEDSA-N 432.546 1.346 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CC1 544636268 XPQRWACNDPTYJB-ZDUSSCGKSA-N 442.497 1.116 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 549675220 FKTDWOTVXDKYDN-SFHVURJKSA-N 439.582 1.583 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)CC2)n1 565981605 GRXUJVJLMNXROO-KRWDZBQOSA-N 426.427 1.869 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 569157640 ZAVRWIRUEPTYOG-IAGOWNOFSA-N 446.577 1.683 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 574350914 RDPJIACRJWZZNU-UHFFFAOYSA-N 436.440 1.732 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 603798260 LPNWGJLJPBQULD-INIZCTEOSA-N 447.582 1.196 30 10 IDEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1 614904229 FFBPPPKXEIBMLC-OAHLLOKOSA-N 440.550 1.578 30 10 IDEE Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 726316531 VCRJWDDTTHJDBR-KQWNVCNZSA-N 432.506 1.427 30 10 IDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 729331798 PMZUJNDVNITWGG-OAHLLOKOSA-N 442.559 1.035 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccccn2)C1=O 730143360 AJRVSXHDNQAQTO-JEOADQEBSA-N 440.573 1.587 30 10 IDEE O=C1CN(S(=O)(=O)c2ccc(C(=O)OCC#Cc3ccccc3Cl)cc2)CCN1 747020883 FPCBTYULGBFGNV-UHFFFAOYSA-N 432.885 1.669 30 10 IDEE COc1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc(OC)c1OCC(N)=O 747336051 METGZUIDUILFFU-UHFFFAOYSA-N 438.484 1.838 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)s1 752193068 DKMZGJRXZNGZPX-CYBMUJFWSA-N 432.571 1.135 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@H](O)c1ccco1 763777875 GJNJOSRTOKBSNQ-RDJZCZTQSA-N 447.513 1.449 30 10 IDEE C=CCOCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1cnn(CC)c1 779754346 GRBBVAWLOVPIKQ-OAHLLOKOSA-N 429.506 1.856 30 10 IDEE C=C(Br)CNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 780829008 VDHMTYAUZQLKLF-HNNXBMFYSA-N 439.358 1.460 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1OC 800706900 JJVJCGGMHGOLIJ-BRWVUGGUSA-N 438.550 1.893 30 10 IDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c(C)nn(C)c2C)c1=O 837286303 VSKHFSJJKYMLDO-UHFFFAOYSA-N 434.521 1.841 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCOC 920394817 GNJKCSCIHMUPNC-UHFFFAOYSA-N 441.553 1.374 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1117651398 FMUBGAJXBPRWPN-HOTGVXAUSA-N 431.566 1.678 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)C2)nc1 1129458603 WKKOCEXVXLMWPD-AWEZNQCLSA-N 443.366 1.980 30 10 IDEE C=CC1(CC(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)CN(C(=O)OC(C)(C)C)C1 1137872820 HJUOPMRYQGOTKR-UHFFFAOYSA-N 441.594 1.521 30 10 IDEE C=CCN(C(=O)Cn1nc(Br)c(Br)n1)[C@H]1CCS(=O)(=O)C1 1142059549 RMOCSYUWZINBTO-QMMMGPOBSA-N 442.133 1.005 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCCN(CC(=O)NC)CC2)nnc1-c1ccco1 1156194631 PAZNJTZEFHXRDL-UHFFFAOYSA-N 432.550 1.487 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)c1 1156373790 ZFXPSRNQODKHPR-UHFFFAOYSA-N 439.497 1.142 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2nnc3n2CCC[C@@H]3C(F)(F)F)CC1 1176135653 BEJJUTTWDAXPRA-JKSUJKDBSA-N 441.502 1.842 30 10 IDEE COC(=O)c1c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)sc2c1CCCC2 1176422470 MFKZNUIGUCDRAL-BUXKBTBVSA-N 437.543 1.222 30 10 IDEE C#CC1(O)CCN(C(=O)NCC(=O)Nc2ccc(I)cc2)CC1 1228246464 UMQTWJZFHRJVFA-UHFFFAOYSA-N 427.242 1.399 30 10 IDEE C=CCC1(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CCCC1 1228269596 DIIKFOSOPAOVRJ-ROUUACIJSA-N 428.599 1.804 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286389057 DVQZLXMEJWROET-AWEZNQCLSA-N 429.531 1.175 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286509543 SUWMRRGBXQPPJR-DOTOQJQBSA-N 434.591 1.622 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(F)cc(F)c1 1286814501 SZYWVGBXFBQKJH-UHFFFAOYSA-N 441.504 1.932 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1291802328 BGLQJXLVJDEBCP-HZPDHXFCSA-N 436.524 1.821 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1296946776 LHJBPLNEGRZRIE-INIZCTEOSA-N 429.521 1.736 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1297777722 BPNIDGXDBHWVSE-HXUWFJFHSA-N 443.508 1.875 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CCOCc1ccc(C#N)cc1 1298755733 FUXOQMWUIJMPHA-KBXCAEBGSA-N 437.543 1.323 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(O)c2ccccc2n1 1298791751 GTRGURYYDHPRAB-UHFFFAOYSA-N 425.470 1.471 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1300404554 ZXHCIYTYMPREJD-INIZCTEOSA-N 433.516 1.697 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCNS(=O)(=O)CC)CC1 1300693318 WRPKZUVQHTZVIM-UHFFFAOYSA-N 436.969 1.293 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300703938 WLPNNAWJGCZNHB-UHFFFAOYSA-N 448.618 1.356 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1300990968 YZPAGHMWUPSHDU-SFHVURJKSA-N 449.581 1.281 30 10 IDEE COC[C@H](F)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1301067426 LIFIJHQNFDCAJP-SJORKVTESA-N 430.488 1.165 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS(=O)(=O)CC1 1301485565 YNNPYWDYHCUIQI-AWEZNQCLSA-N 449.602 1.668 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCCS2(=O)=O)C1 1301553139 FHULFBTXWXVLII-KRWDZBQOSA-N 447.561 1.771 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1301972839 ZCSJXBXUVGFOJT-DZGCQCFKSA-N 429.550 1.780 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)cc2Cl)CC1 1302924810 SJFRDENANMHGCN-UHFFFAOYSA-N 434.743 1.257 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1303531120 CNGJRBVPWIBKSQ-KSSFIOAISA-N 430.486 1.383 30 10 IDEE CN(C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1314658588 DQBDZOCUTJCJNU-QGTPRVQTSA-N 442.586 1.059 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314760807 UGXSTIDIENUFDJ-MRCUWXFGSA-N 438.536 1.907 30 10 IDEE C[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cc(F)ccc1N1CCC(O)CC1 1332014380 CPRLWTAHVIVWCF-NAJQJYEQSA-N 430.480 1.881 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1358918641 BNLLANSJGPCQNU-RBUKOAKNSA-N 437.548 1.886 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359055869 REZDSMUOHMKVSP-IAGOWNOFSA-N 445.593 1.178 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1359089430 IWKJSFXTGVCNAJ-ROUUACIJSA-N 445.568 1.347 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)[C@H]1CC 1359294157 MCLLCXGOJVTJRH-GOSISDBHSA-N 434.504 1.352 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1360476483 MVZSRXHOKZWPTC-IUODEOHRSA-N 427.900 1.906 30 10 IDEE CC(C)N(CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1360683685 GEESWNOQJRJNAK-QFBILLFUSA-N 443.593 1.839 30 10 IDEE CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 1436556194 CJKJHJURPZLTAO-FQEVSTJZSA-N 430.530 1.945 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCC(n3nncc3I)CC2)cc1 1453430170 NBAPOCWMCUYNQA-OAHLLOKOSA-N 437.241 1.651 30 10 IDEE C#CCN(C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1456088157 UYIWUDAZRUODJJ-CABCVRRESA-N 436.534 1.285 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc23)C1 1456810238 OXXPQBUICUNJCV-UHFFFAOYSA-N 441.440 1.700 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1479047762 IJXCJPGTKXHHPJ-FGZHOGPDSA-N 434.544 1.932 30 10 IDEE N#Cc1csc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)n1 1479442596 VEQUNAOGXLWHGT-OCCSQVGLSA-N 431.440 1.772 30 10 IDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1504041086 BWJRVGIYYGPOPY-GOSISDBHSA-N 445.545 1.921 30 10 IDEE COc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1504093175 BJGICIWPAXBODE-IRXDYDNUSA-N 431.518 1.274 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1507616868 OSGFGBQNNGJTGH-SFHVURJKSA-N 433.534 1.127 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507622166 GQSKIBWXGCQUQV-IBGZPJMESA-N 443.573 1.687 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507634307 JPVUNPZHAVCZHG-IBGZPJMESA-N 443.573 1.850 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1507642116 GURIXVZCHACESQ-FOIQADDNSA-N 447.586 1.511 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507704763 KAQHWQWYSBWNGM-UHFFFAOYSA-N 446.573 1.533 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507732163 TVMBTPCWCIEWBC-RTWAWAEBSA-N 429.613 1.301 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)C(=O)C1 1507935805 VEUGQZDPCITUMC-UHFFFAOYSA-N 430.509 1.657 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1507958710 HLNHAMYEPWXZAV-QGZVFWFLSA-N 447.561 1.643 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508082699 WKQXPYIJYZGIIV-CQSZACIVSA-N 437.426 1.147 30 10 IDEE Cc1n[nH]cc1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1510438689 BXFACUDMSRLUJZ-GOSISDBHSA-N 434.504 1.705 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1517125691 UFGZVUHSHFAMAL-FQEVSTJZSA-N 440.573 1.950 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CC1 1519330082 PDSYPLOQRQZYAU-SFHVURJKSA-N 440.548 1.721 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2coc(S(C)(=O)=O)c2)c1 1534105976 KJJHTTBYIMQJQM-CYVLTUHYSA-N 425.488 1.748 30 10 IDEE C#CCCCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539087035 QGJNZLVZPGJJMP-PZJWPPBQSA-N 430.597 1.997 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1539142811 VMBFQYIECQVRKH-JYJNAYRXSA-N 443.470 1.920 30 10 IDEE C#CCN(c1nnc(C)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539206065 MIPMYWDRMRFTKI-INIZCTEOSA-N 425.555 1.470 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1539231655 UWUGFOVABKWQGH-IBGZPJMESA-N 432.546 1.636 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1539239065 GQUOBIPKZGQKRR-MSOLQXFVSA-N 440.573 1.412 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2nccn2C(F)F)CC1 1539476109 SMKJOCQWDUKQMS-UHFFFAOYSA-N 442.474 1.889 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539578837 CDNAZRXXERRSHK-ZFWWWQNUSA-N 446.346 1.252 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1540048489 WDBDEKYESQRHQA-MRXNPFEDSA-N 432.594 1.610 30 10 IDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 1540128156 MXRIHHFCJUNFTE-LJQANCHMSA-N 426.498 1.500 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861354 NGMHWRABIVICDR-GCJKJVERSA-N 434.585 1.541 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540864434 ZXPKMIYBSRTJMT-QZTJIDSGSA-N 426.521 1.073 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1540870661 STALPOUELBJLRI-HZPDHXFCSA-N 445.524 1.559 30 10 IDEE CC(C)OCCOC[C@H](O)CN(C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1564531174 OPEWBUDARKBDPO-BBWFWOEESA-N 428.530 1.189 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1)c1cc[nH]n1 1585043343 MJWAYEDJZGXSMB-GOSISDBHSA-N 442.394 1.736 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 1586913509 JZFGWFJPEBELRM-HXUWFJFHSA-N 440.544 1.783 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1587773763 UGCYKLXVOWGNOF-GOSISDBHSA-N 430.578 1.833 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588054254 MPKUVGVFPUUQBQ-JKSUJKDBSA-N 449.602 1.866 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H]2COCCO2)CC1 1588929751 FWRVOEOZAZXZCF-RBUKOAKNSA-N 431.537 1.291 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589404094 HBBUHUTWRVRRQB-CABCVRRESA-N 428.331 1.770 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1595550652 GPUFHQUAAGUQFZ-FUHWJXTLSA-N 447.536 1.963 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(Cn2ccnn2)CC1 1595561851 DRSUHKOENPHSDX-UHFFFAOYSA-N 441.565 1.444 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1595607367 FAGSUBNPZNPAFV-QGZVFWFLSA-N 426.521 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595805421 OUYDHILREDTTFS-GOSISDBHSA-N 430.596 1.092 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595844641 GEKWBYBBCAABNA-DAYGRLMNSA-N 445.611 1.192 30 10 IDEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595849578 BTZNFCILIQNKJI-MRXNPFEDSA-N 432.506 1.724 30 10 IDEE NS(=O)(=O)c1ccc(OCCSCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1598208516 MLZROIKFSQGNAD-UHFFFAOYSA-N 440.543 1.310 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N1CCOCC1 1603673666 GQHFXODFLAEJLQ-IBGZPJMESA-N 438.580 1.791 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1ccnc(C(C)(C)C)n1 1609508038 ZPUBODQXTDENDG-KRWDZBQOSA-N 440.552 1.865 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCSC1 1616484825 BLCICVMDKRXKFR-HRAATJIYSA-N 445.545 1.853 30 10 IDEE CCS(=O)(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H](C)C#N 1617399065 ANFRAOMMROVTJS-MRXNPFEDSA-N 429.550 1.816 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)CC1=O 1618479300 AQQGUNXRGFLMON-KRWDZBQOSA-N 428.518 1.062 30 10 IDEE CNC(=O)CC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1618724215 MGYDDZUJCNUXBV-MRCUWXFGSA-N 441.536 1.110 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1620172785 PYILRRXVFLTWTB-MRXNPFEDSA-N 430.534 1.107 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CCO1 1620355591 LBIRXLFONJPMHH-CHWSQXEVSA-N 432.282 1.164 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)s1 1630440798 MCABJKQCGDHMDQ-INIZCTEOSA-N 442.584 1.657 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)OC)cc1 1636771149 DCNOKBCPFXPDAD-NRFANRHFSA-N 432.473 1.641 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1642903184 CNICEOZCMRTGTA-IBGZPJMESA-N 431.512 1.897 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 1643023846 SRKJXFKAEDHCTR-IRXDYDNUSA-N 439.534 1.251 30 10 IDEE COC(OC)C(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 1643769096 YPDCQDCRWVTTFL-UHFFFAOYSA-N 431.537 1.793 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1644467152 XLKGGQYYNWMLKT-OFQRWUPVSA-N 428.938 1.642 30 10 IDEE CC(=O)N[C@](C)(C(=O)N1CCc2c(sc(N)c2C#N)C1)c1ccc(S(C)(=O)=O)cc1 1646254830 FRXQUIHGXYGNNR-FQEVSTJZSA-N 446.554 1.542 30 10 IDEE Cc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1I 1648028597 HCILFGNDAKDTCO-UHFFFAOYSA-N 436.209 1.431 30 10 IDEE C#CCN(C(=O)NCCC(=O)N1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1674047236 FNLFZXQXYSPKJX-UHFFFAOYSA-N 435.569 1.195 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)C1 1685177529 XLDPESBHOGSMMC-BBWFWOEESA-N 430.471 1.342 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689977790 CWALCLAHZKGGRJ-DOTOQJQBSA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689982508 PBSIKROIXRXUEE-QILLFSRXSA-N 448.570 1.556 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1690000801 BLTJWVHJVRRIIL-HNNXBMFYSA-N 435.937 1.694 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cccn1 1690013075 AMYIESBPUQPRPB-UHFFFAOYSA-N 426.484 1.552 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1690077441 OODJCSYOBVJCNI-VGOFRKELSA-N 449.552 1.852 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@H]1C 1690095923 IOKAPSSDHGZBCI-GOSISDBHSA-N 445.589 1.919 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690674707 CANBUGYAYFCHGS-HSZRJFAPSA-N 435.532 1.546 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1691005994 HKMVURAQAOTTRJ-INIZCTEOSA-N 436.520 1.395 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CCC(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1696059122 WTUREOONYQYJGD-JOCHJYFZSA-N 442.520 1.925 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1705567623 XQUBLKHMDXWLIT-JKSUJKDBSA-N 448.549 1.335 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1705570719 SZTYBVSTTFCLHD-INIZCTEOSA-N 439.488 1.520 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)OC 1705591434 PZQCUIGASNVLON-KRWDZBQOSA-N 429.546 1.693 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1705601398 HUAJNISXHISZRN-UHFFFAOYSA-N 441.499 1.636 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1705620860 JIBNPLGDNCOXBM-INIZCTEOSA-N 436.557 1.758 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705640905 KAEAZENHCMYCBJ-OYRHEFFESA-N 437.592 1.518 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705658375 NPUKDJIPNLLGKO-UHFFFAOYSA-N 436.607 1.938 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1705819890 WNMBUSLSOPYKOS-SJLPKXTDSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1 1705895237 ZDIKJMOIJFEHTP-UHFFFAOYSA-N 446.939 1.372 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705899171 JXLZMGUHUPVMTL-UHFFFAOYSA-N 438.532 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705936925 BKIGUCMERXRLIQ-AEFFLSMTSA-N 444.561 1.325 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCC2CCOCC2)n1Cc1ccc(C#N)o1 1706858809 NWYGCOOQZWKBKG-CQSZACIVSA-N 436.538 1.654 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1706941906 DPZZAVGJFIDXDU-JLTOFOAXSA-N 445.524 1.626 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)n1 1707827752 BRWWWPBPSJBZKA-IBGZPJMESA-N 434.570 1.209 30 10 IDEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1708603049 XINFSHZUGQMXSD-NSISKUIASA-N 440.548 1.907 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1711397593 VLTYPQDANAGOEZ-UHFFFAOYSA-N 435.532 1.934 30 10 IDEE CO[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1711559211 ABZCSXUVEKTTBF-SJORKVTESA-N 425.493 1.435 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(COC)CCOCC1 1712640028 SXMQXQUTHOENLP-FIKGOQFSSA-N 437.516 1.887 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712674965 NQXVNWXPUWDCHY-UFVMTTLYSA-N 433.472 1.568 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1712692587 YVNPRXLXHNESFV-MSOLQXFVSA-N 431.518 1.246 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712885239 DSXKJPYEIMGDOH-VZCXRCSSSA-N 432.488 1.997 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCc1ccco1 1722293604 DHIHOALZTMJCNF-KRWDZBQOSA-N 448.531 1.819 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1722324333 PNCSARNAXFSZIM-QZTJIDSGSA-N 449.581 1.020 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722366598 INPAGGRJQXGARW-HXUWFJFHSA-N 449.621 1.675 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1722429834 SXGRYAWOFCAOPA-SFHVURJKSA-N 440.548 1.648 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1722460562 YLRKXVSAULYFGN-KRWDZBQOSA-N 425.624 1.467 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722687912 TZUITOLPIOJGOI-KDURUIRLSA-N 443.596 1.213 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722691426 QFFXBOMBQNHSHD-IVZQSRNASA-N 444.511 1.822 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722725133 GTEKDQUDOGRPKB-HDICACEKSA-N 448.593 1.486 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722735179 HOVLIZDHCPPZDD-UHFFFAOYSA-N 441.561 1.187 30 10 IDEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722738484 KCDNSDZHNCLKKR-UHFFFAOYSA-N 433.586 1.121 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722940347 XYRAHZZBOIIIRG-ZSVKVYQISA-N 441.536 1.252 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)cs1 1725410454 GMWLIIAETUNPFR-ROUUACIJSA-N 432.550 1.948 30 10 IDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1729142877 BNMFYIZHPPGNEM-GOSISDBHSA-N 446.577 1.961 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(C)CN(C)C1=O 1730749613 CFJXQBFDNQQWJQ-XXBNENTESA-N 438.532 1.785 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCOC1 1730750815 ROCTVTWLODJTOE-OFNKIYASSA-N 441.532 1.848 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccc(C#N)o3)C[C@@H]21 1730979293 DCUAQKAUUBISJD-UWWPHRKUSA-N 434.522 1.262 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)CCO1 1731185980 ICKFHKIPFOFWPL-ZDUSSCGKSA-N 442.373 1.657 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1740694666 QCGACPXWBJWMIG-SJORKVTESA-N 445.568 1.145 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CC2)CC1 1740707621 JQGORJZRXMMGOJ-UHFFFAOYSA-N 427.480 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCO[C@@H]2CCOC2)CC1 1740709706 LEIBUSXBRYZJKN-RTBURBONSA-N 431.537 1.291 30 10 IDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740784269 QDWRQYYZTYPKIO-UHFFFAOYSA-N 443.533 1.480 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1740960795 BCEAMTRTNAZNKY-HNNXBMFYSA-N 444.486 1.650 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)C1 1740979545 KHWSPRRLPGZJKW-RHSMWYFYSA-N 429.525 1.363 30 10 IDEE CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1741149724 ZSYJFOQMIXVPCY-PBHICJAKSA-N 439.520 1.873 30 10 IDEE CCc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1744356197 CVVVUKIHAROXPH-RBUKOAKNSA-N 429.546 1.714 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1745196134 MKJSUWNEWWRIGS-CABCVRRESA-N 443.508 1.287 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748638525 QMUVNUAGIDVXOP-WMZOPIPTSA-N 428.537 1.849 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1CC 1748651008 HHCAICNOPAERDG-HNNXBMFYSA-N 442.549 1.313 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1748809025 PHUACUBJXMYTTB-UGKGYDQZSA-N 439.541 1.604 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCCCC2=O)CC1 1748993780 LMNWILJEZGLRDM-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1749488475 LMNGHYFIEYCAMR-CQSZACIVSA-N 434.509 1.633 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1749586401 TXXWVMIOYUXKKY-HSZRJFAPSA-N 425.533 1.787 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@]1(OC(C)C)CCOC1 1749681856 JZNPZNHJWKHCDQ-GCJKJVERSA-N 443.552 1.696 30 10 IDEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1749690294 VJOCQHVSWFCPCU-NRFANRHFSA-N 448.527 1.828 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCO)CC2)c(F)c1 1750384231 RLCDQMMGWDUGMI-SFHVURJKSA-N 441.511 1.729 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCS1 1752317853 CDOUBQFZYISEDK-AUUYWEPGSA-N 433.559 1.308 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760129161 DZCOSWIVYQMKIB-UHFFFAOYSA-N 432.488 1.385 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1760190025 XICRVZHWGPWHIC-ROUUACIJSA-N 438.594 1.740 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1760190034 XJZXXEDIMDRIBS-SFHVURJKSA-N 442.545 1.574 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760190836 UZZBFMJQBVDAKP-GOSISDBHSA-N 444.557 1.945 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnccc1OC 1760197346 UDMCESFDDKVINP-UHFFFAOYSA-N 435.509 1.873 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1760220935 FUHYGEYCIQENQO-INIZCTEOSA-N 425.518 1.085 30 10 IDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760356621 RYERQHPJFUMMQB-UHFFFAOYSA-N 430.553 1.409 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760407362 AUCCZAJNXNQLMC-UHFFFAOYSA-N 447.584 1.593 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760523155 NWGNXEMMYGDUGL-QGZVFWFLSA-N 449.515 1.822 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1766882723 AADUQQXNTQQHPS-PKOBYXMFSA-N 441.511 1.469 30 10 IDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)CC1=O 1767083708 MDRCBGRGQXQAHD-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1767130746 MGZMDEJDWSIWQW-HMWBCQRISA-N 441.517 1.454 30 10 IDEE COCCN(C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1769782760 CBFOFMKFZXZYBH-LJQANCHMSA-N 441.536 1.454 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1770163679 XZPLTEXQNXGVPF-CVEARBPZSA-N 449.533 1.182 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)OC)CC2)n1 1770548569 UQJCBTCAGNVXJM-MRXNPFEDSA-N 434.504 1.977 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C1 1771252266 MWVVYIIUTFHPRD-UGKGYDQZSA-N 427.505 1.864 30 10 IDEE N#Cc1ccc(OC[C@@H](CS(=O)(=O)c2ccccc2)OCCN2CCOCC2=O)cc1 1852537629 SCLXLBCXBKCZLC-FQEVSTJZSA-N 444.509 1.655 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC(C)C 1857347276 OESASUAIFQUHNN-SFHVURJKSA-N 433.530 1.556 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(O)c1 1862602622 HFXGDMREVPXYIV-GOSISDBHSA-N 442.380 1.642 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c(O)c1 1862741246 NVLOZZFENNDSHR-GOSISDBHSA-N 441.396 1.720 30 10 IDEE CN(C)CCNC(=O)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932298 ZLIRNCOHTLGGAZ-SFHVURJKSA-N 446.598 1.705 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 1870143042 SOLDHIYNTOGYBA-GFCCVEGCSA-N 446.423 1.779 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)nn1 2060626178 UFIHYXJRKORUKC-UHFFFAOYSA-N 435.334 1.853 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N(Cc2ccccc2)C2CNC2)OC1(C)C 2247901581 MOANQBVFLJYTOA-UHFFFAOYSA-N 449.407 1.746 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2249532289 SUQGLEKBVGUCPA-OKILXGFUSA-N 428.335 1.223 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2255524455 RFFFVXIZWVHRLU-CYBMUJFWSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2255545543 RWRBQHGGKGGZCC-UHFFFAOYSA-N 433.274 1.974 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255605298 PPSSNLGDZFZQCF-NSHDSACASA-N 430.236 1.382 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255700229 ZSUZLDGFPISQTE-ZFWWWQNUSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2259937609 DVFZMIBQEBPSSD-LRTDBIEQSA-N 432.330 1.696 30 10 IDEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2267091905 SRAZJRIQLMCHBG-RYUDHWBXSA-N 444.263 1.628 30 10 IDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267172298 VXFJZEHLIJXDLP-FOLVSLTJSA-N 446.357 1.657 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263859 KYPFLEFVDNUIKE-CABCVRRESA-N 448.329 1.140 30 10 IDEE C[C@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2267266472 PUEAMTOWMZWGGZ-KBPBESRZSA-N 449.361 1.490 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267494032 BHQATKBVPRDNOH-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2267538043 SOADWZJGQWYBIP-HDJSIYSDSA-N 449.361 1.538 30 10 IDEE C=CC[C@](C)(NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)F 2270501758 XBVSOZTWIXVRBJ-KSSFIOAISA-N 434.461 1.974 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2272633362 LVZXCCQUUKELJU-JLCFBVMHSA-N 444.341 1.763 30 10 IDEE C=CCN1C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)NC1=S 2294216973 VGDNNWLSLHIDPC-UHFFFAOYSA-N 438.509 1.313 30 10 IDEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](CO)C(=O)O)ccc3C2=O)cc1OC 2297473288 BMTLEIZNIKPUDP-HNNXBMFYSA-N 443.408 1.261 30 10 IDEE C[C@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2315694654 BYQRTFPUZMTXDR-JQWIXIFHSA-N 447.288 1.971 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NC 2320260115 ATWKVBHSOAWJRV-GFCCVEGCSA-N 440.360 1.282 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2334270390 GYLSZYHKKOWAGX-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)(C(N)=O)C1 2339262001 PWWGVZLSUVCRKD-UHFFFAOYSA-N 443.309 1.711 30 10 IDEE Cc1c(C(=O)N[C@H](CCO)COCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2343510036 FXZWKRHRWMOOER-GOSISDBHSA-N 443.353 1.725 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2351705545 XURQUSTZYOSABC-ARFHVFGLSA-N 449.357 1.663 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccs2)[C@H](C#N)C(=O)N3)CC1 101442467 YLACLKCNHLRSAV-GXTWGEPZSA-N 427.486 1.835 30 10 IDEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N/NC(=S)NCCN1CCOCC1 169884389 CDTXDTFDHGJLQI-DEDYPNTBSA-N 425.511 1.522 30 10 IDEE Cc1c(NC(=O)CSCC(=O)NCC2(CC#N)CC2)c(=O)n(-c2ccccc2)n1C 431165603 FUJASAOSUUIGTG-UHFFFAOYSA-N 427.530 1.966 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c(C)o1 434101292 FHJAHNWWFXGCCH-HNNXBMFYSA-N 434.499 1.522 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC3CCC(C#N)CC3)cc2)CC1 441140374 JQHJQPJIHBRZBA-UHFFFAOYSA-N 432.546 1.599 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 461350550 YSEQLIQZEWHNIR-INIZCTEOSA-N 443.500 1.018 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cn2)CC1 464821782 ITXBHEBMVNFUDP-SFHVURJKSA-N 449.563 1.305 30 10 IDEE Cn1cc(C#N)cc1C(=O)NC[C@@H](O)COc1ccc(I)cc1 471595367 HVVDNYDNXSARCI-CYBMUJFWSA-N 425.226 1.671 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 474213561 ZAUVPTPCTYBCMS-UHFFFAOYSA-N 444.557 1.476 30 10 IDEE Cc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 479248884 REVMNEXNVWPGHU-UHFFFAOYSA-N 446.511 1.229 30 10 IDEE N#Cc1ccc(C(=O)NCc2ccccc2N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)[nH]1 486741872 NGXCBNCKQXGULB-UHFFFAOYSA-N 427.468 1.979 30 10 IDEE CNC(=O)CCOC1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 494928634 FPEFESGTPKKXTQ-UHFFFAOYSA-N 425.451 1.790 30 10 IDEE N#CCC1(O)CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 506363301 NLZQTVHKHAQABI-AWEZNQCLSA-N 428.308 1.089 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 508915726 YQLWJMAUDJZDEH-YJBOKZPZSA-N 449.533 1.073 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 509009372 BCWTWZOESVOUIP-KRWDZBQOSA-N 440.614 1.355 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2F)c1=O 523306095 KFSRILOFGCAVHL-UHFFFAOYSA-N 428.485 1.874 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1 544881507 LNRAJCBJWDPHSL-UHFFFAOYSA-N 446.555 1.805 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 553854050 QVBVOJBFONBNIN-OAQYLSRUSA-N 431.496 1.124 30 10 IDEE C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC(=O)N1Cc1ccccc1 564530854 IEOOTMPLHFORFX-KXBFYZLASA-N 426.498 1.142 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2(c4ccc(C#N)cc4)CC2)CC3)CC1 576533407 QMOKGXPYAIOGQN-LJQANCHMSA-N 446.555 1.553 30 10 IDEE COc1ccc(CN2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2=O)cc1 586862922 DTJUAYNZYYRYDI-UHFFFAOYSA-N 438.459 1.583 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1-c1ccc(F)cc1 610244855 BNTDDAVKLWIIJH-UHFFFAOYSA-N 443.887 1.949 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2Br)CC1 728590232 XXCFTSJZVQEWBY-QPEQYQDCSA-N 426.336 1.117 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](C)COC)c1 730144359 JVFNOVVYUJAQSG-LPHOPBHVSA-N 430.574 1.950 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2cnn(C)c2)c1=O 758065173 BJLPURQORHEHNZ-UHFFFAOYSA-N 442.422 1.681 30 10 IDEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1 768422842 UVVITFJRVTWVBS-MRXNPFEDSA-N 443.577 1.632 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 774287415 UAAUNKDSYTUASF-KRWDZBQOSA-N 449.577 1.173 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)cc1 785419975 RBWKGDHLADQMOJ-UHFFFAOYSA-N 441.509 1.631 30 10 IDEE C=CC[C@]1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCCN1C(=O)OC(C)(C)C 790547214 AXUNAIMWGOZVJG-LJQANCHMSA-N 431.555 1.110 30 10 IDEE C[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)n1cnc(C#N)n1 798927710 UWXQVPIPLOLBCM-HOTGVXAUSA-N 445.524 1.029 30 10 IDEE COc1cc2c(cc1F)CCC2=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 799106676 DNQPUWQUWHLYAZ-UHFFFAOYSA-N 433.509 1.928 30 10 IDEE CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3cccc(N4CCCS4(=O)=O)c3)NC[C@@H]2C1 849086033 MVUKTTHFVGIGQP-GOSISDBHSA-N 449.577 1.607 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1CCN1CCOCC1 916201277 JPZHEMDXPCWZNS-UHFFFAOYSA-N 435.336 1.575 30 10 IDEE COc1cccc(/C=C(\C(=O)NS(=O)(=O)Cc2ccccc2C#N)n2nnnc2C)c1 916776168 VUEOULAXXMJMPN-YBFXNURJSA-N 438.469 1.506 30 10 IDEE CCN(CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C)S(C)(=O)=O 917661498 FNEBVAMLXYDDBT-INIZCTEOSA-N 440.591 1.734 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCCCN1CCN(c2ncccn2)CC1 1136134857 FHKXFKXRKMSVMD-UHFFFAOYSA-N 443.349 1.982 30 10 IDEE C[C@H](C#N)CN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CC1 1137930025 YTGVDQKYPWCALB-JHNDHUHGSA-N 425.551 1.807 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1144505703 LXEXJCGMUPLOAA-IEBWSBKVSA-N 434.581 1.885 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 1152967884 UHSJSMPTAMEBBC-SZVBFZGTSA-N 447.557 1.124 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1C)c1cc[nH]n1 1154092712 RGXNCCUFRDPQAU-ZDUSSCGKSA-N 430.461 1.857 30 10 IDEE CS(C)(=O)=NCC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1156189129 HUSBEEZBWANXNF-SFHVURJKSA-N 445.545 1.729 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)s1 1157606349 MBVBFPHWBSFIDD-UHFFFAOYSA-N 447.535 1.441 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCC[C@@H]1C#N 1175251369 XDMICNYPYGHKNM-QAPCUYQASA-N 435.506 1.052 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1177622819 MPZDENLWPBEVRB-NSOWYUBSSA-N 449.529 1.121 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NCc2c(I)cnn2C)n1 1254558428 QZAOMVHFOKWZBG-UHFFFAOYSA-N 426.262 1.586 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1286306347 SFZGKOQDDIKOBY-FSTVOOFJSA-N 432.569 1.573 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1286446421 FUINGEBLKGKWCW-LJQANCHMSA-N 447.561 1.518 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1286458581 YWKLNAMVROZXSG-MJGOQNOKSA-N 448.520 1.375 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C)n(C)c1=O 1286464148 UICYHVIAUWQFMX-UHFFFAOYSA-N 449.511 1.858 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NCC2CC2)CC1 1286494425 OMUQMJVYOJVRTN-UHFFFAOYSA-N 448.571 1.555 30 10 IDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286506853 OXOAMVGTABRWDQ-UHFFFAOYSA-N 432.594 1.475 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1286541212 YJMGYTJPLYKWBH-HNNXBMFYSA-N 443.390 1.412 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286783020 CZFJGLPEVDBQGQ-SFHVURJKSA-N 438.532 1.847 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286784573 MEGQONKJORYQTR-INIZCTEOSA-N 433.516 1.853 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H](C)N(C)C)CCOC1 1288320327 OGGYPJDDTSDRLG-LQBOVUBWSA-N 431.585 1.445 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)cc1 1289826740 ADCIMWIJGXEINO-IBGZPJMESA-N 436.472 1.804 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 1300485614 XOCZTPJCCANHJP-QZTJIDSGSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1300489286 LPDVVPXLEWCYKL-GOSISDBHSA-N 443.573 1.734 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)no2)CC1 1300712871 XBRXXJWEERAZJG-UHFFFAOYSA-N 448.487 1.236 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1300715589 ALXGUTJVAUNQLS-UHFFFAOYSA-N 438.576 1.931 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1300892022 PRKMLNDCXQJPPK-MJGOQNOKSA-N 425.599 1.977 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301499263 AORLWSIHJQMLGZ-CQSZACIVSA-N 448.465 1.497 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1301977842 RAVFZKFCLNOCQF-VGOFRKELSA-N 428.537 1.577 30 10 IDEE COCCOCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1302238581 RDBJHZSGADSWSW-MRXNPFEDSA-N 428.541 1.615 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1303441889 ZMXXRZRLMOYQRM-VHEBQXMUSA-N 431.541 1.354 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1303446925 APNOZZOZNLBYKE-UHFFFAOYSA-N 434.508 1.575 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C2(O)CCOCC2)CC1 1303815813 AVNGMLZMQQUNSM-QGZVFWFLSA-N 449.573 1.578 30 10 IDEE Cn1cc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CCO2)cn1 1314900916 OPQXDRJZOYZTOV-FQEVSTJZSA-N 437.504 1.527 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1315560680 DCOMVCUFUCUXAB-RTBURBONSA-N 440.504 1.687 30 10 IDEE COc1ccccc1-c1nnc(N2CCOC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1315608363 GYRAHETWFJROMA-AYAKEVCGSA-N 438.488 1.705 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1358961093 RJEDFRLYMCTTGE-UWJYYQICSA-N 446.577 1.549 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1358963268 FINBSMWPQOSSFD-INIZCTEOSA-N 433.534 1.013 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C)cs2)CC1 1359040122 IYQSAPXACIJIKC-UHFFFAOYSA-N 441.561 1.293 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(C)CN(C)C2=O)CC1 1359044073 UJHDGBAUIQBPCB-QHCPKHFHSA-N 435.532 1.093 30 10 IDEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359135665 KXAQQJHQTKAADE-GOSISDBHSA-N 426.521 1.972 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc3n2CCC3)C1 1359312389 UKPFGOSSGTZASL-MRXNPFEDSA-N 428.541 1.564 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1360700038 KVQDPXNDRPSIMU-OAHLLOKOSA-N 449.581 1.712 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@H]1[C@@H](NC(=O)OCc2ccccc2)[C@H]2C=C[C@H]1C2)C(=O)OC 1448501190 ZQMIZEASLIAMSL-HVTWWXFQSA-N 428.485 1.964 30 10 IDEE N#Cc1cn(CCC(=O)N2CCOC[C@@H]2c2cccc(Br)c2)c(=O)nc1O 1453479925 ZWEIOORGFMOWKP-OAHLLOKOSA-N 433.262 1.573 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CO)CC1OCCO1 1455322409 DBEIESDHMTUWTK-LBPRGKRZSA-N 429.267 1.338 30 10 IDEE N#Cc1cn(CCNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(=O)nc1O 1470360004 GJGFMSAGORUFES-UHFFFAOYSA-N 444.451 1.566 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 1473615576 FCLCTDJVRZRCHJ-PXNSSMCTSA-N 426.517 1.739 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)C1 1502468902 HULACSGJWFXBPT-INIZCTEOSA-N 443.558 1.840 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1503720810 UPKARKLVXBNCTK-HMWBCQRISA-N 431.541 1.211 30 10 IDEE CO[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1503968276 BIIFFLUEPBKFLR-FUHWJXTLSA-N 431.518 1.502 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1507631729 SLRZNJMZJARCLQ-LJQANCHMSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1507661244 PXRICYCDBQXQMS-DEOSSOPVSA-N 443.592 1.892 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1507666920 HMWHKQMSIFQFBG-QGZVFWFLSA-N 426.521 1.559 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCOCC2)CC1 1507739164 NVPPVYYTXXBJRI-SFHVURJKSA-N 431.537 1.027 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507743542 FRSNMVWVURDUSG-UHFFFAOYSA-N 435.598 1.413 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1507780159 WWKPLQSMKNURIB-ZDUSSCGKSA-N 444.330 1.990 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccc(C(F)F)n1 1507981262 JJYBUCWOYYCUAF-ZDUSSCGKSA-N 443.480 1.009 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1508082501 SXEAOUOCKOSOHM-UHFFFAOYSA-N 448.506 1.923 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(=O)N(CCOC)C2)cc1 1513654810 BUXGXNBMYFOXKY-AZUAARDMSA-N 438.532 1.731 30 10 IDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1516014958 DRVLUOGTFHEFSJ-KRWDZBQOSA-N 445.499 1.565 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1516173281 UEVUTXZTQLYIDQ-KSFYIVLOSA-N 430.553 1.975 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C#N 1518633743 AGUNFGKFRPEYSH-ARFHVFGLSA-N 432.550 1.917 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1519290012 XBWZWENGBPWEGL-CQSZACIVSA-N 437.522 1.528 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1538991924 HCWRNACCJKLAKW-HNNXBMFYSA-N 437.504 1.963 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539075693 FICWCNXHWHNDIM-NRFANRHFSA-N 435.576 1.810 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1539210144 BBAGDUILHBFFQU-GOSISDBHSA-N 430.578 1.699 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1539219873 NYWLYEFJMWGQLB-KRWDZBQOSA-N 425.518 1.096 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539447740 VQWKDLIVGYLOSM-IBGZPJMESA-N 428.581 1.576 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)c2ccco2)CC1 1539454671 XRTXQVNAVSBTNK-UHFFFAOYSA-N 432.528 1.842 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 1539461589 ICUAFBBBKNPMDJ-UHFFFAOYSA-N 447.536 1.329 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4n(c3C#N)CCOC4)C2)cc1 1539553557 NURJKTVAHPWFOA-HNNXBMFYSA-N 429.502 1.633 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540035648 FXMXIFOQKFHUPN-INIZCTEOSA-N 427.571 1.235 30 10 IDEE C=CCCOCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1540042803 RNFVPPUXEDGHKR-KNQAVFIVSA-N 435.569 1.432 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540873297 TZMQIGGODHURTD-MRXNPFEDSA-N 430.578 1.926 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540874522 JMRKKTWFUPHYOQ-IAGOWNOFSA-N 427.461 1.582 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCC(O)CC2)CCOC1 1541724487 SGXVTFNRXHZWIY-QHCPKHFHSA-N 446.596 1.905 30 10 IDEE COC(=O)CCN(CC#N)C(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1544787220 STGAOUPRAMTPLO-QGZVFWFLSA-N 449.305 1.893 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2OC)nnc1N1CCC(C#N)CC1 1548336836 UTRNUPCSNAJOKN-UHFFFAOYSA-N 446.577 1.947 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CCO1 1554451332 FDQCUEOHMAOHCL-FUHWJXTLSA-N 442.545 1.433 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1csc(I)c1Br 1556750855 YBMIHUCXRUOMOX-RXMQYKEDSA-N 431.049 1.835 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 1556897833 SNFYDHANOLIJKQ-ZDUSSCGKSA-N 443.522 1.057 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H]2C)c1 1587683152 CNGRATDJCQPKEO-KEYYUXOJSA-N 430.534 1.525 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588041143 VDGJDQYYDYKOHE-ZBFHGGJFSA-N 436.969 1.570 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588064892 QRPYICACDNLIQT-HXUWFJFHSA-N 442.589 1.375 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OCC 1588122540 PWSSOSXGWLVMSP-KRWDZBQOSA-N 444.937 1.820 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC(F)(F)CO1 1588581344 NZAVDRMBJHTXMX-VQIMIIECSA-N 428.480 1.829 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1588646329 IVQHHPSCYFIGOY-OAQYLSRUSA-N 449.511 1.932 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1589047646 DMCFONDAKLINBI-KRWDZBQOSA-N 425.562 1.844 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N2CCOCC2)C1 1595699635 GFJPDBINJSNBNQ-HXUWFJFHSA-N 441.532 1.984 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1595713682 DHUUGTUOFGJZGL-CTNGQTDRSA-N 442.612 1.734 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1612123350 ALSNVMOCVLTTCQ-JXFKEZNVSA-N 433.534 1.311 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C1CCN(C)CC1 1617454481 QHBARSUPIBQBCG-INIZCTEOSA-N 429.517 1.621 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(CNC(=O)C(F)(F)F)o3)C2=O)cc1 1618731216 MLJINJWFJZWWLF-OAHLLOKOSA-N 434.374 1.861 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ncccn2n1 1626712927 BATVVVAKQWNSQX-AWEZNQCLSA-N 427.490 1.038 30 10 IDEE N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1F 1628340777 UGNOTKJDMKZOKP-UHFFFAOYSA-N 436.396 1.891 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)ccc1F 1630041631 LCEOJFKJRBRTLX-UHFFFAOYSA-N 430.523 1.473 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1OC 1634796553 LZKWBUMKDZRPNX-UHFFFAOYSA-N 425.413 1.448 30 10 IDEE Cc1nc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)nn1-c1n[nH]c(C(F)(F)F)n1 1636289018 NHRWIHBVZMOVSL-CYBMUJFWSA-N 432.366 1.798 30 10 IDEE C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](O)CN(C)C(=O)OC(C)(C)C 1639973448 AMBOGBSSVSAQBR-ZYSHUDEJSA-N 444.532 1.639 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)C(=O)OCC 1642682839 HYNFXIMELGXTSF-KBMXLJTQSA-N 432.926 1.213 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)C1=O 1645298177 KQGBCAMTHNLENH-INIZCTEOSA-N 427.457 1.431 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 1647069098 SGXNUMMJXRBESE-PKOBYXMFSA-N 435.565 1.712 30 10 IDEE C=CC[C@@]1(C(=O)NCCc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1651256485 KQJIPGXXIITSOI-NRFANRHFSA-N 432.525 1.368 30 10 IDEE CN(C)C[C@@]1(O)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1659181370 LXGNDTFTCPDNOJ-UUOWRZLLSA-N 443.592 1.745 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C(=O)OC 1662439723 BQZSRTKEBIHKQE-RVKKMQEKSA-N 442.559 1.196 30 10 IDEE Cc1cc(O)nc(N2CC[C@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)n1 1664188865 DUGYGQGLUNMZNL-ZDUSSCGKSA-N 427.408 1.938 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CCOCC1 1674589685 DAOZHDPAXOCRGM-QGZVFWFLSA-N 425.938 1.784 30 10 IDEE COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1684753011 LUUAMNJURLEVMR-HXUWFJFHSA-N 433.512 2.000 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCN(C(C)C)CC1 1689848388 UPPMIPDLWMQBPB-INIZCTEOSA-N 428.537 1.699 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(O)CCSC2)c1 1689870766 ZNKJECQLYUTSGK-QFIPXVFZSA-N 449.540 1.659 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690128348 BFTVAUFOKHOTOI-JGCGQSQUSA-N 448.596 1.946 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1690153815 BXAHMIPCJHEOFY-KRWDZBQOSA-N 447.609 1.365 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690167955 RCKYAYZNAGTABL-OAHLLOKOSA-N 439.549 1.182 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)[C@H]1CC 1690218467 HPUURPQHSJOLKW-CYBMUJFWSA-N 427.347 1.820 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690309827 LKALGJIEOIIJIM-GOSISDBHSA-N 439.520 1.714 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690516725 QUTJTKQNTMBLRS-QFBILLFUSA-N 427.571 1.222 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C)C(=O)[C@H]1C 1690677284 TUHDWSOSCYIBFL-MRXNPFEDSA-N 442.520 1.225 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1690852577 GRIYBSIQVHNAME-CVTQAYBASA-N 429.525 1.060 30 10 IDEE CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CC1 1690858408 VFAQLJVZFKCHTC-UHFFFAOYSA-N 439.501 1.451 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1693847345 FXEHHRDRYHBAKD-AYAKEVCGSA-N 433.472 1.568 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1696842401 ITUNJYJIPPXARH-PKOBYXMFSA-N 444.561 1.713 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1698248101 OAJOUNOGSJWQCO-TXPKVOOTSA-N 437.566 1.709 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC1CC1 1705498312 TWOIAWAZWPXELN-INIZCTEOSA-N 426.546 1.799 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705556471 QOEUDJOSQCJNGS-LJQANCHMSA-N 426.569 1.152 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705567693 YFXCFVIBUUHZBZ-KGLIPLIRSA-N 434.484 1.997 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1705570014 JMEOWIZYLRSMEZ-KRWDZBQOSA-N 445.593 1.470 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H]2COCCO2)CC1 1705643498 IFUDYZPXVHTJAV-XUVXKRRUSA-N 431.581 1.757 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1705717879 UGZHSXJPRRXNST-QFBILLFUSA-N 427.571 1.583 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705739705 NZDBCVUKUFLHPX-JKSUJKDBSA-N 444.561 1.577 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc3O2)CC1 1705763269 RMWIUULYGNXZRS-HOTGVXAUSA-N 433.534 1.885 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1705896716 VYDFAFVBPSBVKS-HNNXBMFYSA-N 447.561 1.655 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1711055409 YHVAWXSUCFOXAM-QFPXGYFVSA-N 445.524 1.007 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1711158665 XRRDUHUTEHZGBZ-KRWDZBQOSA-N 433.534 1.351 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712251321 ZUKHFQOIDRKUIY-WFJJUKAGSA-N 444.536 1.561 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1722352594 OWZBFWICZVDTBK-OALUTQOASA-N 444.557 1.774 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CCn1cncn1 1722387045 REJFPHOQEGPRSC-UHFFFAOYSA-N 440.305 1.984 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@H](CO)O1 1722419352 YDGLZHQXDGZLAZ-VQTJNVASSA-N 441.532 1.773 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(F)cn1 1722424020 YHKPPDDYWRDKRJ-UHFFFAOYSA-N 433.451 1.589 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722472942 XNKHNUGRBZTPDL-MOPGFXCFSA-N 435.575 1.176 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722728374 QTNWETZLESNHMR-UHFFFAOYSA-N 441.598 1.992 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722742876 JWWGCBIVDKWNHZ-FQEVSTJZSA-N 446.602 1.905 30 10 IDEE COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730498548 QOVVQSHFWUAXBH-ZBFHGGJFSA-N 447.540 1.431 30 10 IDEE C#CCOCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2ccccc2F)C1 1739485749 RLZPBMVGBZMMOD-GSFDJTBLSA-N 426.488 1.700 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740533358 REMMTLWPHIALIT-KKUMJFAQSA-N 442.586 1.507 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740620196 CFIGUKLZPVHHFU-INIZCTEOSA-N 443.558 1.369 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1740648110 CJUJEDWUAYXEQZ-HSZRJFAPSA-N 429.565 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC)CC1 1740705894 NTROAKRCAOKQGH-GOSISDBHSA-N 436.516 1.252 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740716750 YKMYPIBURRHMPM-QZTJIDSGSA-N 442.593 1.721 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CCCO 1740730776 HZCVRODBRKHPPN-DBXWQHBBSA-N 435.594 1.019 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC(F)F)CC1 1740825944 VLCKLFCKFSOIRJ-HNNXBMFYSA-N 449.524 1.439 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](COC(C)C)C1 1740955972 JUCOUUJNYCGMRN-KRWDZBQOSA-N 429.521 1.886 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)C1 1740982920 YLPQDDNAQDCRRD-ROUUACIJSA-N 437.610 1.836 30 10 IDEE CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1741421455 VDLANJVRIOTIOM-HOTGVXAUSA-N 429.525 1.711 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C1 1746536767 IJBPCCOZNIODOI-GOSISDBHSA-N 432.550 1.497 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C 1748103924 ASJLICUDQITJMU-SJORKVTESA-N 425.537 1.356 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@H]1C 1748665114 NSTYKDLQIMCQLU-AUSJPIAWSA-N 432.550 1.236 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1748785490 YXZNYCAFJDQXDL-OAHLLOKOSA-N 435.488 1.158 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cn(C2COC2)nn1 1748856228 VIMSYVZRHMCINV-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc3c2OCO3)CC1 1748977345 GPVAXTIMJRAVMS-KRWDZBQOSA-N 427.505 1.534 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)C2CCCC2)CC1 1749001097 IADDWWOIHUVMJC-FPOVZHCZSA-N 430.597 1.632 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1749450423 GKQJEXDLOGCCJE-UHFFFAOYSA-N 438.536 1.602 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1749461389 QKMOWYYCAXVIOI-QGZVFWFLSA-N 446.577 1.383 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1749665783 CKPWKRRMQWKDAA-INIZCTEOSA-N 448.531 1.963 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1751008148 IDBJOUVJRYCDQQ-FOIQADDNSA-N 449.533 1.455 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)C1 1751277061 IASIVIHTWOKCDL-LJQANCHMSA-N 434.522 1.571 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1760182844 JSTQHRLNUVAOKL-GOSISDBHSA-N 447.517 1.643 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760184467 XOWAGKNDLYLMFD-AWEZNQCLSA-N 434.909 1.305 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1760190210 YTOKSSBCSXAUNV-ILXRZTDVSA-N 448.574 1.116 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 1760284544 NRGZCJZPFRXEMD-INIZCTEOSA-N 446.602 1.741 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1760504823 CLWMAXRAUURRAE-RTBURBONSA-N 439.626 1.939 30 10 IDEE C=CCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760513092 JXOBCUDRIZRIGK-MGPUTAFESA-N 430.513 1.037 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760528534 FZRCUQKWYLVBMY-VGOFRKELSA-N 433.553 1.364 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(CCN(C)C)CC2)C1 1760542058 JKSOLNIQVOYIBI-RTWAWAEBSA-N 432.613 1.837 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOCC1(C)C 1760698184 DHYJNUOLWOUPKD-MRXNPFEDSA-N 445.593 1.976 30 10 IDEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1761317516 YLFYIKAQMPIYDS-UHFFFAOYSA-N 438.536 1.532 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1766724561 CTOATJYNYIXGJP-HNAYVOBHSA-N 444.561 1.760 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1769124858 FOJFMFUWHFIXLM-OALUTQOASA-N 447.561 1.739 30 10 IDEE CO[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1769605590 OVGXUELHCZQJPN-HZPDHXFCSA-N 438.458 1.823 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1770640782 BESGDCARVCHQQB-WWTMAOISSA-N 444.536 1.907 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CS(=O)(=O)c2ccc(F)cc2)CC1 1853041284 GDZOXIXCTSGDLG-UHFFFAOYSA-N 432.477 1.231 30 10 IDEE N#CC1(c2ccccc2)CCN([C@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2=O)CC1 1853773528 NQMTTWDAPLRUAX-HKUYNNGSSA-N 429.542 1.496 30 10 IDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@@H]1C 1854311685 KLFXYAQNSOREOD-HOTGVXAUSA-N 425.576 1.784 30 10 IDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1855104728 IDTPGNUWRIGICA-CRAIPNDOSA-N 433.505 1.743 30 10 IDEE C=CCN1CCN(C(=O)CCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)C(=O)C1(C)C 1856359284 MVQNSTYUQYPYJB-KRWDZBQOSA-N 436.578 1.428 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccn12 1858222307 CFVKWZMMENGSSK-UHFFFAOYSA-N 447.495 1.937 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCN(C(=O)c4cccc(C#N)c4)C3)ccc21 1858298046 DCIOGFOACCCNCY-IBGZPJMESA-N 438.509 1.660 30 10 IDEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861608774 OEXNLFTWXXTTMB-ICSRJNTNSA-N 449.507 1.856 30 10 IDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2OC)C1=O 1863769204 BCFGAXPRGQYMNV-UHFFFAOYSA-N 427.482 1.398 30 10 IDEE C=CCN(CC=C)C(=O)CNC(=O)C[C@H](c1cccc(Br)c1)c1nn[nH]n1 1869027344 OECBIRJUNFODOJ-OAHLLOKOSA-N 433.310 1.801 30 10 IDEE COc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1[N+](=O)[O-] 1870160482 UKEFYZDNARSVEL-UHFFFAOYSA-N 447.367 1.534 30 10 IDEE COc1ccccc1[C@H]1[C@H](C(=O)NCC#CCN(C)C)OCC(=O)N1C1CCCCC1 1889291444 DQRULSWJSOUDOD-XZOQPEGZSA-N 427.545 1.978 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CC1 1889556220 PAKUYJFCIYTTPX-UHFFFAOYSA-N 427.517 1.385 30 10 IDEE O=C(NCC#CCN1CCOCC1)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 1890428213 SAIUKMQJSHCTCV-UHFFFAOYSA-N 445.516 1.370 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCN=c3cc(C)[nH]c(=NCC)[nH]3)n[nH]2)c1C 1890922958 FMVFGURQOOAXHV-UHFFFAOYSA-N 437.552 1.682 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 1902434986 FYIMLUDBFRFOLX-RTBURBONSA-N 435.590 1.920 30 10 IDEE CN[C@@](C)(C#N)Cn1c(C)nc(I)c1I 1928098717 OFMHNBZLATVBSY-VIFPVBQESA-N 430.031 1.902 30 10 IDEE COC(=O)[C@@H](CC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2010401947 JWPZLZUXIRQMCK-CQSZACIVSA-N 426.319 1.993 30 10 IDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1)B1OC(C)(C)C(C)(C)O1 2247985775 MJKKINBCOFSOSI-OAHLLOKOSA-N 446.375 1.417 30 10 IDEE COC[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248445499 MVYLMWGVJKQBPL-LLVKDONJSA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254790168 IFJBODMWCBCRMU-ZOBUZTSGSA-N 435.330 1.134 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255534368 GITJARBHAVSTSC-QLPKVWCKSA-N 429.326 1.976 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255623542 ONWCTKQEWAJVNS-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2255831050 PJBGLLLSGPDRSS-BPLDGKMQSA-N 432.330 1.837 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)n1 2258231936 VQBSZLATHKSLOC-UHFFFAOYSA-N 430.236 1.002 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)nn2)C1 2260817434 ZKEZAQZDHLQBET-CMDGGOBGSA-N 433.318 1.987 30 10 IDEE Cc1cc(C(=O)N=c2[nH]nc(CNC(=O)OC(C)(C)C)o2)oc1B1OC(C)(C)C(C)(C)O1 2267127168 PSVFEEAKBQYKLG-UHFFFAOYSA-N 448.285 1.969 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267162511 PTYNIQLCJVDECL-FPTDNZKUSA-N 444.341 1.905 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267188753 QHWJOATYDSBMDN-WCQYABFASA-N 444.263 1.248 30 10 IDEE CC[C@]1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267539770 MYWZFXGSRKRMHD-NRFANRHFSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2(CC2)C1 2267550655 CGBRKZGFBZLESJ-OAHLLOKOSA-N 444.341 1.905 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267595143 VONRXKQKXJOGMI-OAHLLOKOSA-N 449.357 1.729 30 10 IDEE CC1(C)OB(c2nc(=NC(=O)c3ccc(Br)c(F)c3N)s[nH]2)OC1(C)C 2286856462 ULDIIFTVPHIPOM-UHFFFAOYSA-N 443.107 1.995 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)c(C)n1 2296614911 JOCNCCPTYKZILA-GOSISDBHSA-N 428.514 1.909 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322316098 ZUJYVLUMULHXJS-KGLIPLIRSA-N 437.321 1.984 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CCO)COCc2ccccc2)n1C 2343518222 YZRABJKUFXBNIC-GOSISDBHSA-N 443.353 1.725 30 10 IDEE CCOC(CCNC(=O)c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)OCC 20618000 BFNNSXRDKRVFDU-HOTGVXAUSA-N 441.575 1.695 30 10 IDEE NS(=O)(=O)c1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)cc1 39843626 KCNZWYIVNBVPFL-CQSZACIVSA-N 449.470 1.490 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@H]3CCCCN3CCO)nc2)OC1(C)C 204882432 AJFBFRAMXIUHRJ-QGZVFWFLSA-N 439.387 1.177 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 250045069 BMDUAWYAMGPDDP-ZACQAIPSSA-N 426.498 1.573 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 427166104 AKNVXNGQQTUGCL-HKUYNNGSSA-N 434.562 1.328 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 508908211 RISVXHLMBHTNAV-KRWDZBQOSA-N 442.586 1.041 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(I)c(O)c2)CC1 545462848 NTCCDQZEWZZOAU-UHFFFAOYSA-N 429.258 1.057 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)cc1 559885789 UHMQVDXIYBHMRK-UHFFFAOYSA-N 442.523 1.764 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)C(C)(C)C1 566384919 KTKQGEZIECGDOH-UHFFFAOYSA-N 442.545 1.782 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 589639645 BMSVSQDLOKQYHH-SFHVURJKSA-N 448.549 1.026 30 10 IDEE C[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccc1C#N 746745071 JQDLBWADBHXEOQ-LHSJRXKWSA-N 446.463 1.904 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749338053 RNUJGIGBQSAEQD-HNNXBMFYSA-N 439.540 1.419 30 10 IDEE Cc1ccccc1Cc1nc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)no1 751640185 AXAVKXRBNXUUIR-UHFFFAOYSA-N 426.454 1.862 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nnc2n1CCCC2 753741391 MCPDJTUIXNUHHV-UHFFFAOYSA-N 444.561 1.572 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 758082048 APQUWFDETQDCRY-APWZRJJASA-N 445.548 1.389 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 766323445 WFHCNXPUQPUMAZ-YWZLYKJASA-N 441.509 1.962 30 10 IDEE N#C[C@@H]1CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CCN1C1CC1 771668706 SWDAPOFSJRDTBN-CYBMUJFWSA-N 448.264 1.945 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 779399805 KKYBRZSCWDBSQW-HMXCVIKNSA-N 431.558 1.805 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2CC3(CC2=O)CN(C(=O)OC(C)(C)C)C3)n1 788365465 HPTASXLUSJORPN-UHFFFAOYSA-N 431.537 1.392 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1 791128515 QLSDZBVOZKJISY-RWVGPTSPSA-N 432.502 1.051 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 792322355 KRWJZOSXUGWHDJ-UHFFFAOYSA-N 428.537 1.545 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnnn2Cc2ccccc2)CC1 793012302 IHHNLUINWCQROP-UHFFFAOYSA-N 440.533 1.104 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2C[C@H]2C2CC2)C1=O 797426783 MKJBDFTUQNJDJX-KSZLIROESA-N 443.573 1.583 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=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)cc1Br 800411142 FBMCRYOUAHAGSA-FPIPNRSUSA-N 433.283 1.453 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C#N 804707858 HMJPSTFGXJSQBB-OAHLLOKOSA-N 430.505 1.946 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@@H]1CCCO1 818220370 LQOHLHUFTNNQGA-SFHVURJKSA-N 446.532 1.442 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1Br 856531221 NSXQSJUHPAIZPR-LSDHHAIUSA-N 449.330 1.860 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccc(C#N)c1 917093763 OJUVROJCBDHRSK-IBGZPJMESA-N 429.498 1.904 30 10 IDEE CCOc1cc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)ccc1O 1084062376 SRAVHDXIMLNWDH-UHFFFAOYSA-N 441.517 1.951 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084109865 PMKHOFBSGQWCLO-UHFFFAOYSA-N 441.473 1.646 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(n3cnnn3)CCCCC2)cc1 1125136280 RPBSKVQYCLNXJL-XLNRJJMWSA-N 431.522 1.784 30 10 IDEE C=CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C(=O)OCC 1138145895 CTAHVYSCRVHKBF-NEWSRXKRSA-N 438.546 1.558 30 10 IDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 1140993215 FKFOCEJBPQOMIX-HKBQPEDESA-N 445.545 1.453 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1144026755 KLZSINDJVKLONZ-RTBURBONSA-N 432.565 1.448 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CN2CCOCC2)cn1 1161114791 ZNBACZANADIXCV-HNNXBMFYSA-N 429.502 1.091 30 10 IDEE CCOc1ccccc1[C@](N)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(F)(F)F 1161866374 PDKOADJQKIZKHQ-VUCTXSBTSA-N 431.436 1.198 30 10 IDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286354909 BAGXGTFQMUUTHC-UHFFFAOYSA-N 431.562 1.567 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1286472566 ZCYZRWQUURZEMA-JOCHJYFZSA-N 444.967 1.733 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286652289 DLDIKULTVJKFSY-INIZCTEOSA-N 430.534 1.763 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286708932 JEPBNRMLEAFEQS-INIZCTEOSA-N 434.518 1.890 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1286710607 BDLVZWIVYGZCEX-HOTGVXAUSA-N 435.554 1.243 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286784975 AGKKKOWWERCPJO-UHFFFAOYSA-N 439.564 1.815 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2C(C)C)C1 1286811072 ZLPOZJSJNKBAOX-FJIDUMEYSA-N 439.582 1.609 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825711 VKMYKMYWEZAPJX-VQIMIIECSA-N 428.555 1.145 30 10 IDEE Cc1nn(CCC#N)c(C)c1OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1289613731 UHNNTXFCYQSMJR-UHFFFAOYSA-N 436.465 1.793 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1294213397 YYHILPRBGXMTOG-BQFCYCMXSA-N 447.536 1.764 30 10 IDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)c(OC)n1 1300224152 BAOBUXAJZZCLAM-JOCHJYFZSA-N 439.520 1.991 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300479776 RYULYPBYYOFHIT-GOSISDBHSA-N 431.562 1.641 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300497280 XZLXXBBYJNWLOI-KBPBESRZSA-N 436.456 1.335 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1300733520 KUMMTXWHXJABRF-LBPRGKRZSA-N 448.412 1.744 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1301045417 UINMRSWEGQGFCL-YJBOKZPZSA-N 445.973 1.370 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301059354 YAQNVFJLTRGHGS-JYJNAYRXSA-N 447.989 1.520 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(-n3cccn3)c2)C1 1301535297 KNDDWAJBAUGAKL-SFHVURJKSA-N 436.520 1.827 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301576152 AGKSMFMKIONFEE-SJORKVTESA-N 448.501 1.669 30 10 IDEE CC(C)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1301952074 GHSKUQUVEFPHPP-ZACQAIPSSA-N 425.603 1.605 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCOCCCO)CCN1C1CC1 1303003896 KRMLTWCIIHUQSI-HXUWFJFHSA-N 428.512 1.584 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cs1 1304673863 DXVVCADCXKNQJX-GFCCVEGCSA-N 429.428 1.041 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 1309800397 AOUMERUGDLNXRX-UHFFFAOYSA-N 445.872 1.133 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358954913 AOYJAYBSYNDVAR-OALUTQOASA-N 437.610 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCOCC1 1358974436 DPMRPSVLWNMFAR-LJQANCHMSA-N 435.528 1.757 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CCCO2)CC1 1359040491 XATFMENFSYJBPR-QHCPKHFHSA-N 444.580 1.731 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H]2COCCO2)CC1 1359046184 HQKNSXHIAVJKES-HXUWFJFHSA-N 438.532 1.035 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359134586 AJMHWQUHUNXTBK-QGZVFWFLSA-N 431.566 1.783 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccs2)CC1 1359179024 JVQQJRPALNIOAZ-HNNXBMFYSA-N 438.579 1.518 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1359216362 VHRKNEBKOWLHEQ-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359300989 OGFAGVAKQCGFPB-UTKZUKDTSA-N 433.578 1.809 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1360688710 PCBWHLSJZNCGLR-CQSZACIVSA-N 434.522 1.408 30 10 IDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CCOCC1 1439371610 MOOOCYLJRNEICW-UHFFFAOYSA-N 449.573 1.324 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 1447482347 JFQDVPFNXXPWRH-AAEUAGOBSA-N 442.303 1.993 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2Cc3ccccc3OCC2=O)c1 1475665027 KMCOJNXUHQWWAM-UHFFFAOYSA-N 429.498 1.302 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CCCCCO 1494136240 KYFGVLIGFQRMER-KRWDZBQOSA-N 435.536 1.823 30 10 IDEE CCc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)no1 1498363753 BFGVJNNWHHFEIX-INIZCTEOSA-N 427.440 1.913 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1505060064 GUFTUGREGAOPLX-IPJJNNNSSA-N 427.505 1.662 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507857981 YZQYUNBBZJFGIS-ZFWWWQNUSA-N 440.932 1.521 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCN(C)C(=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1508103676 GFOKFQBKDUNWLB-HSZRJFAPSA-N 441.532 1.822 30 10 IDEE CCCCN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1514439091 XMFIWIFVCZASSW-VXPUYCOJSA-N 426.525 1.902 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1517123524 DBCIMMJIXZZTFI-OALUTQOASA-N 445.545 1.494 30 10 IDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1519029666 CXUQNODKOGZDLV-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1538964535 JSNICEGZZJEBFV-RBUKOAKNSA-N 438.580 1.657 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1539161623 IXSQBGOJVLGGRC-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnc2n1CCC2 1539200286 FNQWNHOOGPPKNS-GASCZTMLSA-N 426.525 1.704 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539218973 ARUJFZVONXTCME-MJGOQNOKSA-N 429.546 1.355 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539222188 UHOBVDZWZYWMMG-BDJRERGKSA-N 439.541 1.569 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2sc(C)nc2C)CC1 1539480915 GLBTVXRNCNEVKQ-QGZVFWFLSA-N 428.562 1.869 30 10 IDEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)CC1 1539981391 ICKWZNYVRRVQNT-UHFFFAOYSA-N 431.566 1.839 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1540901366 BAWXEBFZXFFYQI-HXUWFJFHSA-N 436.582 1.921 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1541703583 RXCWZWCWKZBLGE-VSOVRNOCSA-N 438.532 1.851 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccc(F)cc2)n1 1543066470 DQOZSZYECWHTRM-SIKLNZKXSA-N 439.495 1.915 30 10 IDEE Cn1cnc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC2CC2)c1 1548369577 UULOIWPBGVLBRM-SFHVURJKSA-N 446.433 1.920 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1555994430 WPBIASSURIEKHP-IAGOWNOFSA-N 433.463 1.425 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1558414806 NEXWCWPTGOXTQL-JKIFEVAISA-N 436.534 1.597 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)N3CCCC3)C2)C1 1558590843 FIFBDVCMKNOWTA-NGEICVOHSA-N 440.566 1.315 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)n(-c2ccc(F)cc2)c1C 1559964337 RVQSORWVMHJSTJ-UHFFFAOYSA-N 440.523 1.749 30 10 IDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCC(O)(C(N)=O)CC2)c1 1568143889 HVBCYEDNRSYJIS-UHFFFAOYSA-N 438.509 1.741 30 10 IDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1=O 1587085933 KWOUUWOOQOMPGG-ZWKOTPCHSA-N 431.452 1.793 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 1587110050 HREBIOXDQKTJOD-OAHLLOKOSA-N 428.518 1.011 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c(OC)c(OC)c1 1587990270 UTWZYFSXBUGNFM-AWEZNQCLSA-N 438.937 1.969 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(NC(=O)OC(C)(C)C)COC1 1588024780 LIAULTNZNCWMST-HOTGVXAUSA-N 435.525 1.365 30 10 IDEE C#CCN(c1nnc(CC)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588058830 DCFWTHMOWHBPIC-INIZCTEOSA-N 439.582 1.772 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1588058902 FHUMRJJHORVUPF-MOPGFXCFSA-N 449.621 1.752 30 10 IDEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594102745 ZHPQRJBLMVSYOF-HXUWFJFHSA-N 438.500 1.853 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1594628151 ZSARPXLLEIWVCV-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](OC)C2)cc1 1595607642 JTEGQEHPNRFTGI-YJBOKZPZSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1595772551 CCGUSHDAALXXPF-NRFANRHFSA-N 443.529 1.413 30 10 IDEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1596709502 JVXBKGXQTOVXGK-HNNXBMFYSA-N 434.508 1.176 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1611307961 JMZQWWFJGQUAJY-ZJUUUORDSA-N 426.287 1.906 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC[C@H]3COCCO3)CC2)c1C#N 1612470887 WNRHVWULLMSHRM-KRWDZBQOSA-N 442.568 1.621 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)n1 1618758520 FSSABIGWXHFOIZ-JOCHJYFZSA-N 434.537 1.813 30 10 IDEE Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1Br 1624061704 CTJCQLWWSDJKBJ-UHFFFAOYSA-N 438.307 1.201 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)CC1 1625252089 FCQZPFWFBWLMHO-UHFFFAOYSA-N 431.493 1.460 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1626206121 YDAFWTFBRIKQIG-CYBMUJFWSA-N 449.554 1.954 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 1626461443 BBMAKLDRYDLIDI-JOCHJYFZSA-N 439.493 1.468 30 10 IDEE Cn1c(Cl)cnc1-c1csc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 1632821571 RDMUWOLYVXCAPM-UHFFFAOYSA-N 436.906 1.986 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)C1 1633661950 BMCOXVXEONCTTG-VFCRVFHLSA-N 438.525 1.888 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1639148858 ZIXKSFMFVOXUKS-XWSJACJDSA-N 448.564 1.972 30 10 IDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1639823469 FYFSSXVMXCRREH-OAHLLOKOSA-N 440.504 1.601 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1 1643370084 PVVRMJVCGNBHNM-UHFFFAOYSA-N 435.509 1.522 30 10 IDEE C=C[C@H](C)ONC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1644295975 LDOQUZWIKMKHMJ-FZMZJTMJSA-N 433.324 1.605 30 10 IDEE Cn1ccnc1[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)CO 1646468256 ADRHILUENKOJKO-VQIMIIECSA-N 430.578 1.540 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1649674525 ASFOIRGQQWITCR-QGZVFWFLSA-N 437.548 1.500 30 10 IDEE CCOC(=O)Nc1ccc2c(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc(=O)oc2c1 1660447742 MVWRQRYKDLVTLH-VBKZILBWSA-N 431.470 1.732 30 10 IDEE C#CCCS(=O)(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1663857428 JSBDFKHBEYNNKU-IAGOWNOFSA-N 440.566 1.207 30 10 IDEE C#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1665162486 DQDFUZFILAADKL-UHFFFAOYSA-N 427.482 1.978 30 10 IDEE C=CCC1(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1670239477 IDUXIVIHCJDEGT-UHFFFAOYSA-N 444.575 1.420 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2ccccc2OC)CC1 1678595109 WSGJRQLHKWAZTO-OAQYLSRUSA-N 442.541 1.579 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1686084806 TUNFHYLDTXJDDY-BEFAXECRSA-N 437.422 1.764 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1689892888 PBWRGJMMBYHCNP-LJQANCHMSA-N 447.605 1.823 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690156696 ZSSYIIZSLQMWMO-DZKIICNBSA-N 427.596 1.258 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690167599 MCXRIGRWYFCGEY-HNNXBMFYSA-N 437.533 1.238 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCS1(=O)=O 1690263414 AOZFHXIXNBJOIN-UHFFFAOYSA-N 436.538 1.444 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690309868 MNAFDYWTPNQBCA-GOSISDBHSA-N 430.553 1.803 30 10 IDEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1690332582 FMJJGSKZKNOBOS-UHFFFAOYSA-N 442.925 1.958 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](OCc2ccccc2)C1 1690659584 XIQHUTHXUKDMRW-GOSISDBHSA-N 426.521 1.514 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690720977 WNNWIOHZFRSBHW-MJGOQNOKSA-N 446.577 1.098 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)C[C@H]1O 1697064640 SCUYOPAULLTHGL-UYAOXDASSA-N 449.515 1.576 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705507653 BMJQMRWIRFRDBK-KRWDZBQOSA-N 438.598 1.328 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705533667 QHDOVWRSVICMDN-RBUKOAKNSA-N 441.580 1.166 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1705560165 DYJRXBMTWVGATA-DYESRHJHSA-N 427.574 1.660 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705562806 KPNUSCSEKZAHIL-TWOQFEAHSA-N 434.518 1.013 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705565979 LDBSGXVPHUSTNJ-QGZVFWFLSA-N 432.550 1.122 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOCC1(C)C 1705577252 WNWYUTLRYRBOOJ-UHFFFAOYSA-N 445.531 1.104 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CC1 1705640344 NYUMKCVVKWCQBA-UHFFFAOYSA-N 440.523 1.012 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCC=C 1705674245 CUDCMFPACHMNSL-YLJYHZDGSA-N 437.566 1.196 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1705693560 HYLWSWXDTBDYGT-WMZOPIPTSA-N 447.584 1.639 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)CC1 1705895601 MEVOBUOPYRSOPL-UHFFFAOYSA-N 436.314 1.006 30 10 IDEE CC(C)Oc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cn1 1706677509 ATGRNVYDJMVFFQ-KRWDZBQOSA-N 425.493 1.473 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1706936773 ALCLYENGIKCREL-DLBZAZTESA-N 436.582 1.584 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1C 1707521719 AYMACJYWNFIIMB-XMSQKQJNSA-N 440.504 1.682 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1707630580 BNGIZGNWUDTIHV-IBGZPJMESA-N 445.545 1.719 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC[C@H]1C 1708126660 XOTYDOHEURCDFD-RKVPGOIHSA-N 448.549 1.606 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1711387130 YOMQREGEMCVYHD-LJQANCHMSA-N 447.547 1.792 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1712565239 CETKTOQMJWJPHU-PKOBYXMFSA-N 431.541 1.940 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1722291461 QQXJXLPHIGZNBQ-NVXWUHKLSA-N 429.525 1.826 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1722323198 BSOHAUPUQPGQKQ-CADBVGFASA-N 434.610 1.612 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722373213 KRKAWDCAHMIOQP-GJZGRUSLSA-N 446.602 1.591 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1722380116 DNTBIXRZZVNISM-UHFFFAOYSA-N 445.527 1.778 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 1722439014 KUBWDUGWKOCQOT-UHFFFAOYSA-N 440.567 1.874 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722522394 NMOUZUJOMXKDCC-LJQANCHMSA-N 444.580 1.689 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722691004 NVLMVFRZLXZNDU-HZPDHXFCSA-N 444.511 1.916 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1722702045 JAFKYJXJJCUQEV-OAHLLOKOSA-N 431.451 1.962 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722726912 GYKKXHITLQBTHA-QGZVFWFLSA-N 448.593 1.564 30 10 IDEE CC(C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723155099 BJIWINTZJVRZSF-LSGABVIPSA-N 443.552 1.229 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1728602701 FIIATBPKSJNFSN-AVRDEDQJSA-N 425.585 1.835 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1728602703 FIIATBPKSJNFSN-PGRDOPGGSA-N 425.585 1.835 30 10 IDEE COc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1730309740 FOERIUWZWSQZOG-QAPCUYQASA-N 448.549 1.264 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@H](C)O1 1730591661 DVSHLPJVKBBUTA-JXFKEZNVSA-N 436.520 1.818 30 10 IDEE COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1730729750 UMCONRGWFUTKSC-UXHICEINSA-N 439.564 1.738 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1730824337 MXWBDNSWYJBHIY-IHCANNCPSA-N 432.525 1.621 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740576115 XVJYOLYWWJBAFV-RBUKOAKNSA-N 435.594 1.285 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1740611192 WOFIJWUIVNTBGI-KRWDZBQOSA-N 429.525 1.921 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1740614721 BYEYJKZBBGUJKG-GJZGRUSLSA-N 445.524 1.408 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740620922 IAJYWSFPKDXLHJ-SJLPKXTDSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1740627867 TTXAYGRCVCHHKN-MSOLQXFVSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1740645458 GFULPKPTAYOFHW-CYBMUJFWSA-N 437.476 1.127 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1740691690 LRXBEZJWHRSAAA-UHFFFAOYSA-N 431.562 1.959 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)NCC(F)F)CC1 1740700512 VDBVMFWQDWTCBH-UHFFFAOYSA-N 448.474 1.002 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1740703852 CECAIHXBMZNNIF-QZTJIDSGSA-N 439.564 1.850 30 10 IDEE Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742793255 DNTBRBSYQMFMKC-DVEDPGPFSA-N 445.524 1.464 30 10 IDEE C[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1743044000 SGWCDHFSOGLZLD-RJCBAWPRSA-N 441.536 1.667 30 10 IDEE CN(C[C@@H]1CC=CCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1747824336 TUKWMNZDKBTJFR-QQMHEVNUSA-N 436.520 1.998 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@H]1O 1748332540 AEYVHCRHCVGKNB-CBGDNZLLSA-N 443.529 1.045 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1748814957 MBUBHGXSFUBBOC-KRWDZBQOSA-N 445.545 1.633 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@H](C)CC 1748846956 NLMPBVFKYXZGSC-LJQANCHMSA-N 448.575 1.830 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C(F)(F)C23CCC3)CC1 1748972221 CZKINNKLCNZEJB-LSDHHAIUSA-N 442.536 1.079 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C(C)C)CC1 1748979986 VLSJAPNIDREQEE-UHFFFAOYSA-N 444.605 1.444 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1749094962 ALXCPSKBNSXFAU-IIBYNOLFSA-N 429.477 1.400 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749686924 HEBUTGFTSOVBKC-QGZVFWFLSA-N 438.532 1.794 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750662790 DMPNWWIJBWDCFP-NQIIRXRSSA-N 429.546 1.991 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1760180452 FRLGHJHGAALWFI-MJGOQNOKSA-N 427.530 1.266 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760191133 BGLHRXRFVKYFIF-OALUTQOASA-N 434.537 1.675 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O 1760212970 KUSORYBGCYIDPP-UHFFFAOYSA-N 448.570 1.246 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2C)n1 1760251475 BDQQKXMPMXBXGO-JFIYKMOQSA-N 432.550 1.244 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(N)=O)C1 1760327244 FBPZZKWPEMTUBV-PJVZLEMVSA-N 433.553 1.685 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OCC)CC1 1760518106 JBUFBVWHSNTEQQ-UHFFFAOYSA-N 433.900 1.574 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760521571 XJXBASWZTPCOJW-HUUCEWRRSA-N 437.504 1.900 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CC)Cc1nc(O)c2sccc2n1 1760523782 HQEUWLBNLCWLDW-ZDUSSCGKSA-N 443.533 1.821 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760560134 YSTLXETVWUJKLI-XDNAFOTISA-N 442.582 1.464 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1760688849 PFFAHFVADMTTMW-FUHIMQAGSA-N 439.582 1.882 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1 1760689681 BLNBTMXDEQPLFJ-HNNXBMFYSA-N 442.549 1.706 30 10 IDEE CCCN1CCC(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)CC1 1764430511 XSPSYLDXHHAIER-KNQAVFIVSA-N 432.569 1.781 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)CC2)C1 1766152890 AOACMPYXUNCADQ-UHFFFAOYSA-N 440.548 1.515 30 10 IDEE COCCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1771270254 SERDGQISOWZHQV-LPHOPBHVSA-N 425.555 1.363 30 10 IDEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771273851 GBCCFOSRQMHJII-INIZCTEOSA-N 437.508 1.313 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(F)F)CCO1 1771535986 FWUVXTHAGJGRKX-HNNXBMFYSA-N 432.431 1.893 30 10 IDEE CN1CCC(N2C[C@H](C(=O)N3CCC(COc4cccc(C#N)n4)CC3)CC2=O)CC1 1848920575 BKEQQXXHCLFNGZ-GOSISDBHSA-N 425.533 1.513 30 10 IDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)c1 1853068035 LRKBKSHMHJXDAR-OAHLLOKOSA-N 433.472 1.701 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)Cn3cc(Cl)c(=O)c(Cl)c3)CC2)nc1 1853319573 OEAAPUQTTAFRCA-UHFFFAOYSA-N 436.299 1.787 30 10 IDEE C=CCN1CCN(C(=O)CCONC(=N)c2nnn(Cc3ccc(C)cc3)c2C)CC1 1853494375 IULPJOSILFCDBG-UHFFFAOYSA-N 425.537 1.510 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2sc(-n3cccc3)nc2C)C1=O 1854226925 SHFZIXIAQMIMAJ-HZPDHXFCSA-N 427.530 1.702 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H](N(C)CCC#N)C2=O)c1 1854338634 PZCBIWFKVNQMQL-RTBURBONSA-N 432.546 1.511 30 10 IDEE CCOCCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651558 YBAQZPRVPUDNQY-UHFFFAOYSA-N 444.513 1.903 30 10 IDEE CCCCN(CCO)c1nc(NC(=O)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 1869994676 DMQDQPCYLBALIL-KRWDZBQOSA-N 446.533 1.360 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873591831 SLFCLMSUHQRDGG-IRXDYDNUSA-N 440.548 1.973 30 10 IDEE COCCCn1c(C(=O)NCc2ccc(C#N)c(F)c2)cc2c(=O)n(C)c(=O)n(C)c21 1889671633 DFQNLTIWRXDDNA-UHFFFAOYSA-N 427.436 1.016 30 10 IDEE CCCn1c(C(=O)NCC#CCOc2ccccc2OC)cc2c(=O)n(C)c(=O)n(C)c21 1890694164 OHAQRNZFESBDOP-UHFFFAOYSA-N 438.484 1.270 30 10 IDEE CC(C)(C#CC(=O)N=c1ccc(I)n[nH]1)NC(=O)OC(C)(C)C 1993950514 LYVJWRVHVFNLAE-UHFFFAOYSA-N 430.246 1.748 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COS(C)(=O)=O 2087928405 TZEYKLAAPSZABE-CCXLZGIPSA-N 438.542 1.542 30 10 IDEE C=C(CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2243754732 VOEAUERNPPGXET-MRXNPFEDSA-N 425.312 1.763 30 10 IDEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404151 IQJPNIAAHMLYHH-NSHDSACASA-N 442.347 1.128 30 10 IDEE CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2255610277 YGDVEXKDWXOESU-QGZVFWFLSA-N 425.342 1.461 30 10 IDEE Cc1cccc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255676444 QNAHNFYOFZQCHR-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE Cc1c(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823542 WJMLQVSNEJNBQR-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256068252 YZFIHZFJSITPOK-UHFFFAOYSA-N 432.330 1.951 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2257589141 DAEAYHDFSFWCER-ZDUSSCGKSA-N 438.334 1.057 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2267251901 OLTMHTYDYQZSMT-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334263857 PMDDJLJCHTWBSN-IIAWOOMASA-N 446.357 1.705 30 10 IDEE COc1cccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72444309 RWHMGNISZFMFHK-JKSUJKDBSA-N 437.456 1.346 30 10 IDEE CCCC[C@@H](/C(O)=N/S(=O)(=O)N1CCc2sccc2C1)N1CCCS1(=O)=O 95455078 NFKGNPNYFBCEGI-AWEZNQCLSA-N 435.593 1.902 30 10 IDEE CN(C)C1CCN(C(=O)C2=NO[C@]3(CCN(S(=O)(=O)c4ccc(C#N)cc4)C3)C2)CC1 96074522 KRYZWKRGZQOAJS-OAQYLSRUSA-N 445.545 1.020 30 10 IDEE C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2CO[C@@]4(OC)C=C(OC)C(=O)C=C4[C@@]2(O)C3=O)O1 253370297 PALZWWLQIUCKJJ-IHJXWSBQSA-N 426.421 1.653 30 10 IDEE biogenic N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCOCCNC(=O)CC2)cc1 257184542 IQRUGKMZBSSOGF-QFIPXVFZSA-N 448.523 1.655 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C(F)(F)F 435161554 DONHMDBOCJVJDG-AWEZNQCLSA-N 431.436 1.837 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3COc4ccc(F)cc4C3)CC2)cc1 461734598 ZPQPSQVJRQGVHA-GOSISDBHSA-N 444.488 1.717 30 10 IDEE CSc1nc(O)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N 463120570 RBIZXRDLUHNPAE-KRWDZBQOSA-N 426.498 1.581 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 469265081 KXYCFZZQBYLAMO-CYBMUJFWSA-N 429.506 1.444 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@@]3(CCOC3)C1)CCCC2 469527262 MLAOCNKKYBSAPH-SBUREZEXSA-N 428.533 1.847 30 10 IDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472107986 JVBGYTHZHUZEMX-CQSZACIVSA-N 435.506 1.220 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)c2)c1 473664298 ZCYCKTDDGLHDET-OAQYLSRUSA-N 435.480 1.978 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cccc(OCC(F)(F)F)c2)CC1 475543369 DDKFUIVAHGAJTG-UHFFFAOYSA-N 428.455 1.800 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C[C@@H]1CCCO1 477313905 KJTDFHOIYLIFHU-HNNXBMFYSA-N 445.472 1.864 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 503501776 MYUFPPPITXTUQL-GOSISDBHSA-N 433.468 1.635 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 507085519 LSYLGNOOELRRRP-JXQFQVJHSA-N 440.544 1.963 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 520057492 CCTFLVUZPKTHQL-UHFFFAOYSA-N 448.936 1.417 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1-c1ccccc1C 531199228 LHODBIOVXRZIBW-UHFFFAOYSA-N 449.532 1.782 30 10 IDEE COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546916432 JYRZGKGDYQHMKS-UHFFFAOYSA-N 436.472 1.139 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 570671047 QBJXYJOERPFAMN-FQEVSTJZSA-N 425.449 1.854 30 10 IDEE COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1C#N 571455920 AYMLZRSFLLGRCM-UHFFFAOYSA-N 430.486 1.462 30 10 IDEE CCOC(=O)c1ccc(N2CC(NC(=O)N3CCN(c4ncccc4C#N)CC3)C2)nc1 584435382 DZTRWTTZXIDFNE-UHFFFAOYSA-N 435.488 1.245 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 618873108 NONKODJYSFJDDQ-LSDHHAIUSA-N 441.509 1.659 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725775239 XXUBTNHHVDAXGW-RUZDIDTESA-N 445.523 1.978 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 732464917 CFUDGCYJNRRCAM-VHEBQXMUSA-N 429.452 1.210 30 10 IDEE C[C@H](C(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)n1cccn1 732707181 VKZQZPWMYFCUCL-DNVCBOLYSA-N 435.488 1.220 30 10 IDEE C=CC[C@@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccncc1 734669690 UAFIFGGUHMGZKL-CYBMUJFWSA-N 445.325 1.923 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 735403838 ATSDLIKAJQYHRR-LJQANCHMSA-N 427.482 1.753 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CCOC 755042529 RFARJLNWMPLCIQ-UHFFFAOYSA-N 442.566 1.504 30 10 IDEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c(=O)[nH]c21 757147136 CPCNJGSOMBEBND-MBVDDHJVSA-N 432.488 1.718 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@H](O)c1ccco1 763780226 LJHMPRKSEIJWAK-HOCLYGCPSA-N 433.486 1.059 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C)c2=O)c(C)o1 767954757 FUKSIXGVHRTBOX-UHFFFAOYSA-N 449.532 1.779 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)[C@H]1CCS(=O)(=O)C1 774221355 WUSNBYWITRYNLL-HOCLYGCPSA-N 445.463 1.996 30 10 IDEE COc1cccc([C@@H]2[C@@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCN2C2CC2)c1 779351383 LAJHIJKYBAIJIU-ACZWGRGYSA-N 439.516 1.799 30 10 IDEE Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](O)c2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C 780211293 WKUXCFISAROMDL-MGPUTAFESA-N 434.452 1.960 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781662201 PXMBFLSJZHJGIN-UHFFFAOYSA-N 441.553 1.839 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(Cl)c1 785525078 ZYUSUGZPVOGTBD-UHFFFAOYSA-N 440.934 1.370 30 10 IDEE Cc1nc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1I 795083785 BMIIDUOOIVVBAO-PFONDFGASA-N 426.214 1.850 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(S(=O)(=O)CC)CC1 800780360 RTKVRSVXZASHBN-UHFFFAOYSA-N 448.549 1.362 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)cn1 807936940 UGCYZQDAOILOQM-QGZVFWFLSA-N 434.566 1.249 30 10 IDEE COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OCC2CC2)c1=O 920395395 QJLWNFQRXKEGNC-UHFFFAOYSA-N 439.537 1.127 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O 1163156779 AMPOJBYDMYYNQC-CVEARBPZSA-N 434.562 1.655 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1 1169842952 ZUYYSPJJPZVIBC-UHFFFAOYSA-N 439.537 1.941 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)C2)c(=O)nc1O 1180989055 HREZGAOICWTZCQ-UHFFFAOYSA-N 437.843 1.381 30 10 IDEE Cc1ccc(OCC(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1190779926 JSVQJVKNUILUJH-UHFFFAOYSA-N 431.492 1.818 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Br)c2COC)CC1 1199533498 BORFBISLTALCTE-UHFFFAOYSA-N 445.339 1.213 30 10 IDEE C[C@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1227458567 DCFAVKCBFGXGQB-ZTENYAIWSA-N 426.539 1.354 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)cc1 1235143471 NYARDBULDHJGAO-SFHVURJKSA-N 425.537 1.647 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1ccccc1 1286350170 WNUHLPKTBRDUIM-IBGZPJMESA-N 447.561 1.023 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1286375456 ZESSJNHBUNKXNN-UHFFFAOYSA-N 426.594 1.570 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1286375975 BNBKNVHLPFYESQ-YLJYHZDGSA-N 427.574 1.696 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1286467401 PGJYHMLWXVGDIK-KRWDZBQOSA-N 431.562 1.639 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1286469760 KTANQSHNDSHCAT-OALUTQOASA-N 442.587 1.677 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)nn(C)c1C 1286469793 ZGDNTLVSDRXLHU-UHFFFAOYSA-N 441.561 1.754 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1286609173 XZMYIEUMWSQZPA-QGZVFWFLSA-N 440.566 1.159 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1288321743 ZYLJLAGGLAZARZ-VFNWGFHPSA-N 428.493 1.499 30 10 IDEE C=CCC1(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CCCC1 1290455514 HZKNIZBGSJEKBQ-UHFFFAOYSA-N 448.589 1.888 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1=O 1291189760 HZDZQPJXXKXSTM-QGZVFWFLSA-N 435.532 1.886 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1293560440 JVVCGFPBFNZLCY-YJBOKZPZSA-N 432.550 1.760 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 1298007013 GZSZHBLNINQWIH-JZXOWHBKSA-N 434.562 1.263 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1298096488 BPMKYIAJMBMXMQ-OAQYLSRUSA-N 444.561 1.715 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1300382112 NVTJZKGNGQNEIU-UHFFFAOYSA-N 440.470 1.822 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1300409634 IZJHCAVKOAIFKF-GJZGRUSLSA-N 433.500 1.666 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1300432689 ZKOCXZBKAUHKMO-AVRDEDQJSA-N 428.537 1.789 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1300432691 ZKOCXZBKAUHKMO-GCJKJVERSA-N 428.537 1.789 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1300511979 DSMWBALUTORMSH-ROUUACIJSA-N 426.521 1.651 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cnccn2)CC1 1300856551 GDEWSXXARFKJKN-UHFFFAOYSA-N 447.341 1.426 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1301509892 PEIFZXMHEATHLR-UHFFFAOYSA-N 434.548 1.426 30 10 IDEE Cn1ccc(-c2nc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cs2)n1 1303617220 ZASHTQDZKUPOFT-UHFFFAOYSA-N 444.542 1.679 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)N1CCOCC1 1303694222 DNHICJZSOQXVJV-QGZVFWFLSA-N 437.548 1.629 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)OC 1316205400 OMAMDHJIAXKZNE-DLBZAZTESA-N 429.525 1.630 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1316532480 PGTHFXMEATVSPD-HDMKZQKVSA-N 446.449 1.877 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1358927173 PKAMNBPTNVLUDH-UHFFFAOYSA-N 434.504 1.067 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1358932927 CBAUBWRZRCUUAN-NRFANRHFSA-N 449.603 1.723 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1358966812 XILOOESPMAPDFX-GOSISDBHSA-N 444.557 1.829 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359033535 GAGYJPGPZXKVAN-LJQANCHMSA-N 449.534 1.522 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCOCC2(C)C)CC1 1359047581 MEBASJDYJCXVKA-LJQANCHMSA-N 444.580 1.206 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359333576 CCLALHCRGVODGZ-LAUBAEHRSA-N 447.561 1.249 30 10 IDEE CSC[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1452948410 UEJGHZYZTNELFJ-FCGDIQPGSA-N 429.542 1.957 30 10 IDEE CC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC2(CC1)OCCO2 1456666226 CQESUMMRYWZPEX-UHFFFAOYSA-N 435.546 1.945 30 10 IDEE Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2=O)n(C)n1 1457162756 BTQWVJOCSKQIDN-RHSMWYFYSA-N 440.891 1.528 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1457200082 MZYLGPJCBNDHLS-QGZVFWFLSA-N 439.472 1.860 30 10 IDEE COC(=O)C1(C#N)CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 1460109282 FGTJCMOERIRITN-IAGOWNOFSA-N 446.523 1.834 30 10 IDEE Cc1oc(NC(=O)[C@H](C)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)c(C#N)c1C 1460224266 GGKXACWYWDSWMS-LBPRGKRZSA-N 438.481 1.892 30 10 IDEE C[C@H]1CN(c2ccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C[C@H](C)O1 1460828230 GUIPNSLQPUSIBA-IAGYGMIVSA-N 432.546 1.109 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1462073870 HBXAFQSFQUSERQ-IBGZPJMESA-N 442.493 1.940 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1C 1473718796 PMQWATULXZZETM-NRFANRHFSA-N 432.590 1.745 30 10 IDEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1499807875 AQCOPRFJONPBDD-ONEGZZNKSA-N 433.516 1.710 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCOC1 1503431926 MUBLXBQDMQJZGK-MRXNPFEDSA-N 431.518 1.531 30 10 IDEE COC1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1504464791 AULJKDTYZPGHMB-QAVIERHMSA-N 442.561 1.926 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1507517448 HPQMIXCYLMBEDL-OPAMFIHVSA-N 429.496 1.957 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1507625882 BXWZDFGZJHOOBZ-BQJIDLTASA-N 448.545 1.403 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1507653090 LKHGHJHBGGHXDI-KKSFZXQISA-N 446.960 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(C)noc2C)CC1 1507739440 PZAMMZJHUWMGCW-GOSISDBHSA-N 426.521 1.791 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1507752612 CRDKLNFVZGODKV-WIYYLYMNSA-N 430.578 1.890 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)OC)CC1 1507791625 OMJXZUZYDJNDGA-MSOLQXFVSA-N 431.537 1.885 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1507802969 AFYHHSBHELVREA-FXAWDEMLSA-N 431.537 1.771 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1507820402 CHEKQDPGRVLTDJ-ZWKOTPCHSA-N 440.614 1.355 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCS2(=O)=O)CC1 1507910495 UAYBYDBODQXIQF-ROUUACIJSA-N 439.582 1.440 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC2CC2)C1 1508111103 WHMOSUUZFIRJIL-MRXNPFEDSA-N 425.493 1.233 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1508125993 QDNMVIWHXPVXHG-ROUUACIJSA-N 447.561 1.542 30 10 IDEE CCO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(C)C 1516105967 HTPWGMQZDYETFY-BZUAXINKSA-N 428.559 1.068 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1517024988 YMAXEZWHINKHEF-ZWKOTPCHSA-N 426.477 1.509 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1524477509 QQDLGEYALVZPGF-YKSBVNFPSA-N 441.528 1.791 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)c(C(=O)OCC)c1C 1524508943 LWUBSHVXTACKGU-SFHVURJKSA-N 444.531 1.986 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCn3ccc(C(F)(F)F)n3)C2=O)cc1 1536967853 XTVKPZGYFCWOFD-CQSZACIVSA-N 434.378 1.795 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1537494281 LOIOIZGUIGACEF-BEFAXECRSA-N 429.539 1.380 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(C)(=O)=O 1539154818 NRNNHNYWZUZALO-UHFFFAOYSA-N 427.324 1.830 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539216233 POFBQPGKJMHSNT-NZSAHSFTSA-N 443.573 1.948 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1-c1ccccc1 1539285036 ZIIWAPIJARCBKA-UHFFFAOYSA-N 428.500 1.606 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1539391576 FLNYASHWQASGKK-KRWDZBQOSA-N 448.568 1.856 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539699775 FXVWNUYSUREZMZ-CQSZACIVSA-N 436.538 1.348 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1539731258 ZGXRZZJJFPFPKS-INIZCTEOSA-N 427.571 1.488 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1539793241 AGSMDVPBBRFUEW-GASCZTMLSA-N 440.957 1.841 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCCC1 1540869154 CZUGXRBUVWFPQB-GOSISDBHSA-N 437.548 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1Cc2ccccc2C1 1540871665 QJOXZZNARLJIJE-QGZVFWFLSA-N 429.546 1.086 30 10 IDEE CCCCCC(=O)NC1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1546963340 BEENIKBQXNIQBR-MRCUWXFGSA-N 443.552 1.778 30 10 IDEE CCCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1547094185 MGCHIGQFBJNJCI-ZPHPHTNESA-N 443.533 1.642 30 10 IDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1554593476 CHZJBFLNGNPNAI-INIZCTEOSA-N 446.515 1.672 30 10 IDEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F 1554617413 RUSYHTLKXXRHAD-HZPDHXFCSA-N 449.437 1.998 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](n4cc(CO)nn4)C3)C2)C1 1556806979 VTAYOCWNEUBAFR-YYTGVUGMSA-N 444.536 1.721 30 10 IDEE C#CCN(CC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C(=O)OC(C)(C)C 1565685238 RMUYEUJOXCCHMI-HXUWFJFHSA-N 442.560 1.870 30 10 IDEE CN(C[C@H]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1)S(C)(=O)=O 1568888828 WQJPIKJNJDPCAE-GOSISDBHSA-N 441.594 1.767 30 10 IDEE C#C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 1584708076 KBULZWQPYXPMHD-HNNXBMFYSA-N 432.299 1.978 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1588120090 FVBZSQBTUXSNDH-UHFFFAOYSA-N 427.512 1.695 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588129195 ZUZSQAFOXUCTKE-YADHBBJMSA-N 446.555 1.307 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1588219618 WVMFOYGFOUVKKM-UHFFFAOYSA-N 441.499 1.315 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1589088682 FKFUPULMOXBAJZ-UHFFFAOYSA-N 439.589 1.968 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1594783915 LVUNRYWNDNSOKK-IAGOWNOFSA-N 439.520 1.766 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1595115374 ICABJJRGCMHKDT-GHTZIAJQSA-N 432.546 1.524 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOCC2(C)C)C1 1595682097 WQAGQYHVEABPCF-WMZHIEFXSA-N 449.596 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C(C)=O)CC2)C1 1595722164 JGDJVRCIPRCCBI-WOJBJXKFSA-N 432.569 1.465 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)nc2)C1 1595743901 HHAODAXRGAWMDL-GOSISDBHSA-N 439.520 1.584 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)[C@H](C)C1 1596184597 OUFOUKNYAIIBIB-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCCS(C)(=O)=O)CC2)c1C#N 1612469503 BBFOFHCCTRTGOE-UHFFFAOYSA-N 446.581 1.221 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619602175 DAFTXKWTNGAFJW-MOPGFXCFSA-N 441.536 1.774 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNc1ncccc1C(F)(F)F 1624980054 KDNKEAYWVPQPHJ-LBPRGKRZSA-N 441.435 1.867 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccnn2Cc2ccc(Br)cc2)c(=O)nc1O 1626859128 DZUDXKKNETVMRQ-UHFFFAOYSA-N 429.234 1.467 30 10 IDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1626907356 AOQXZLAPJBTAPL-YZEMWESSSA-N 448.520 1.053 30 10 IDEE C#CCN(CC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)C(=O)OC(C)(C)C 1627051921 IUHUFHOLUPYEGK-SFHVURJKSA-N 445.516 1.791 30 10 IDEE CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629484776 CWJWKYMOISPJQP-IBGZPJMESA-N 448.589 1.968 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1631795570 WBINHDDFFBIACY-UHFFFAOYSA-N 440.504 1.163 30 10 IDEE C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1633264227 TZHJNXVELGTHNO-IWKHNONTSA-N 446.529 1.662 30 10 IDEE N#CCN1CCC(CNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1633568525 TWGPBMVSORWUHL-UHFFFAOYSA-N 446.349 1.872 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@]2(C)CN(C)C[C@]2(C)C1 1634385632 AZDAXFRCFUGCKO-BULFRSBZSA-N 432.590 1.940 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3c(C)nn([C@H](C)CC)c3C)[nH]n2)CC1 1635994006 WRUHGRMRALTTBN-OAHLLOKOSA-N 425.537 1.368 30 10 IDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1638851358 WJPXLUCDPPJBAT-UHFFFAOYSA-N 440.525 1.430 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 1638856650 ZCFHGWQQMKYGFE-KDOFPFPSSA-N 433.486 1.565 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1648586814 SZOFJIWCVQRQND-MJGOQNOKSA-N 435.502 1.827 30 10 IDEE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1653072357 ANQWPEIEDOGZGU-SIKLNZKXSA-N 425.510 1.846 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 1666233464 VGBNYFPYUZVEHW-UHFFFAOYSA-N 439.603 1.546 30 10 IDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCc2c(sc(N)c2C#N)C1)C(F)(F)F 1671224940 CJQJYVBYBABVLU-LLVKDONJSA-N 425.458 1.092 30 10 IDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@@H]2C1 1676445342 VMHCBAOEZPYGAX-JFRXWTBNSA-N 446.529 1.162 30 10 IDEE CC[C@@H](Cc1ccccc1Br)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1680189267 CPMNLXRXXBJYFG-AWEZNQCLSA-N 434.294 1.904 30 10 IDEE C=CCNC(=O)CNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1682858420 AKAUDLOOTQSPIA-UHFFFAOYSA-N 439.557 1.226 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3c(Cl)cccc3OC(F)F)C2)c(=O)nc1O 1684608906 AVHMUZNSODPMCZ-UHFFFAOYSA-N 425.779 1.842 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC=C)cc1 1689966623 XKVNLPNPAIXQHP-LJQANCHMSA-N 445.545 1.294 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689998120 BUSNWJZFBLEUPF-OWCLPIDISA-N 442.632 1.605 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1690028257 PPCAUTGYLFVXJP-UHFFFAOYSA-N 430.505 1.894 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ncn(C)n2)CC1 1690139322 HOIRMOQHNZTJQW-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2noc(CC)n2)CC1 1690142087 HUPGIXOFQPPDEK-UHFFFAOYSA-N 434.504 1.494 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690239581 YNINJXLTHSMTSU-SLHNCBLASA-N 447.580 1.946 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](COC)C1 1690340980 CYJOJOIIXPVBRQ-CQSZACIVSA-N 440.957 1.842 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690509066 WBIYRSNIJMNZBF-AOMKIAJQSA-N 446.552 1.579 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C)C(C)(C)C1 1690519947 DFRNMQDAMRGWIS-UHFFFAOYSA-N 436.568 1.569 30 10 IDEE CC(=O)NCCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1690983876 CRFFEQOYWRHVRX-HNNXBMFYSA-N 425.541 1.479 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1691003609 JLSDTSMPHWXMOR-NEPJUHHUSA-N 441.451 1.693 30 10 IDEE CCS(=O)(=O)NCCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1696505643 QIZHAJUGJNCIRO-GOSISDBHSA-N 444.561 1.416 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1698295694 MDLGVJXKXXBBEH-OALUTQOASA-N 445.545 1.636 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC2CC2)CCO1 1698493394 LOIFNDJVMSFTGL-HNNXBMFYSA-N 436.925 1.547 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705562804 KPNUSCSEKZAHIL-JXXFODFXSA-N 434.518 1.013 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705687694 IHRIPNJWAVMIPI-BYNSBNAKSA-N 445.383 1.808 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1705932226 PXUBRMBTOLGXAF-MRXNPFEDSA-N 429.550 1.992 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705943220 RKWYVJCLACJGTA-UHFFFAOYSA-N 428.522 1.175 30 10 IDEE COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712461942 QRBDNFHSTCEDAH-IBGZPJMESA-N 444.561 1.020 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1712546695 KALRTYIFPOWVFS-YOEHRIQHSA-N 437.522 1.528 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1712710997 XYPHFHPVBCIAGO-HXUWFJFHSA-N 443.508 1.875 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N1CCOCC1 1722300238 BRTLJRILBBAHOC-QZTJIDSGSA-N 442.589 1.993 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722362482 UXXXBZHPJPKCGM-FGTMMUONSA-N 431.562 1.461 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722378062 PELAWUHJEMKPSX-ICSRJNTNSA-N 438.557 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1722396529 JLOJFKJMRLREDJ-GOSISDBHSA-N 431.562 1.046 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1722396561 AICVFUMJCPIIBV-FQEVSTJZSA-N 425.581 1.110 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCS(C)(=O)=O 1722418691 YXXIMXREZHUKES-UHFFFAOYSA-N 430.509 1.892 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722453498 VGMWNWONLRGSAT-FQEVSTJZSA-N 434.566 1.594 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722494912 SYBVYBFLJAPGTR-MOPGFXCFSA-N 444.580 1.800 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722608970 OXUNIKMEJZLJQY-HZPDHXFCSA-N 440.614 1.986 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccn2)CC1 1722619958 GSOKOWXGGZGNIB-UHFFFAOYSA-N 425.537 1.828 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722693385 LXHQBXLLWYQRIO-SFHVURJKSA-N 440.548 1.997 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1723680226 ZTDCUTYDGCTPRQ-VXKWHMMOSA-N 442.495 1.908 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)(F)F)C1 1731179822 GLQAOWKCHYYREQ-MRXNPFEDSA-N 443.361 1.126 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1740668258 IYIOGBMOZWBKSU-UHFFFAOYSA-N 433.394 1.732 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1740706452 YLJVMANQMNLXMK-FQEVSTJZSA-N 442.608 1.870 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1740793257 QDNXPIPAKDWIKI-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740885707 MLVRIXGVOXEIAG-OALUTQOASA-N 433.553 1.940 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N2CCOCC2)C1 1740983848 QWXMHMKURRFYIL-GOSISDBHSA-N 446.577 1.664 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NC)C1 1740991384 VPZKBVUYRZDBAW-HOTGVXAUSA-N 425.555 1.083 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1740996677 GZZDKDSWYCRFQC-OAHLLOKOSA-N 449.602 1.935 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1741288832 LSOHSDZFSPILQL-JOCHJYFZSA-N 426.521 1.831 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743687043 IGXRBNLNABYFOK-AMKXLXOUSA-N 429.525 1.280 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1748646740 CZBRVRSMJNFQTL-HMFYCAOWSA-N 427.553 1.791 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1748902672 IEJKHSTUROLZLQ-SFHVURJKSA-N 442.541 1.763 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1748990832 LYQGLMKAYXJOPO-UHFFFAOYSA-N 430.553 1.595 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2[C@H]2C[C@@H]2C)CC1 1749015805 NYYFYBRZSHVDSU-HOCLYGCPSA-N 426.546 1.816 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC 1749066140 HKKZAHMJCNXYFL-OXJNMPFZSA-N 439.582 1.276 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2cc(CO)nn2)CC1 1749312219 GBOISZOMXTVIDI-UHFFFAOYSA-N 442.549 1.600 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1749412996 QJIVBNSYLZDPSA-GFCCVEGCSA-N 425.477 1.748 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749434477 UKYRTJVDKMVDDV-UHFFFAOYSA-N 438.536 1.187 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749756571 ZODCTPJFNKFQSY-HOTGVXAUSA-N 439.607 1.301 30 10 IDEE C[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1751302655 ABADLLCNERVWNN-OXQOHEQNSA-N 431.518 1.646 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1752313377 ZFOFUHJEUDMGGM-RLBWVDARSA-N 433.472 1.568 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)CCOC)CC1 1760271604 DFTXVGFKZSFXEB-QHCPKHFHSA-N 440.548 1.017 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760379448 UCXCWLPOXWUCCF-OAHLLOKOSA-N 445.973 1.183 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760383783 YUHKMTRIEBONFS-FQEVSTJZSA-N 440.566 1.026 30 10 IDEE C=CCCOCCn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760451580 NCQDJCLIRWQXNS-UHFFFAOYSA-N 432.569 1.374 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(S(=O)(=O)NC)c1 1760462079 PRNPWVJYWSOTTI-UHFFFAOYSA-N 444.517 1.584 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CCS(C)(=O)=O 1760477670 HNBYUEXCAVDXND-UHFFFAOYSA-N 428.518 1.981 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1760527907 LYPDQCIZLGANOJ-NRFANRHFSA-N 430.484 1.261 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1760541495 CTJSPHHWYXKJMA-KSZLIROESA-N 441.523 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCOCC2)CC1 1760552238 HNFZJBKARWJLPV-UHFFFAOYSA-N 434.566 1.175 30 10 IDEE CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)CC1 1761181925 DCHZKUGDBZCASF-UHFFFAOYSA-N 437.548 1.330 30 10 IDEE Cc1ccccc1Cc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(C#N)o1 1762091652 HZUINTASDVCEPL-UHFFFAOYSA-N 428.518 1.676 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)COCCO1 1766401089 ZNGIVQUNDFWQQO-NRFANRHFSA-N 427.509 1.213 30 10 IDEE CCOCc1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767977909 KSEMCOPMIHBQAB-VHEBQXMUSA-N 430.509 1.348 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)CCOC1 1768215970 DVXPVWJHBHSZCG-JOCHJYFZSA-N 426.521 1.973 30 10 IDEE COCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771275593 RMTWOIJPXJPXMV-IBGZPJMESA-N 441.536 1.776 30 10 IDEE CN(C)C(=O)C1(N2CCCCC2)CCN(C(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1851244795 SBIWLJTWOCTQQK-UHFFFAOYSA-N 426.517 1.765 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2nnc(Br)s2)CC1 1851611590 SKKPSIFMFZRELY-UHFFFAOYSA-N 438.307 1.908 30 10 IDEE Cc1nc(=NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)c(C#N)c[nH]1 1852073372 KDWTWTSNZCUCPR-NHCUHLMSSA-N 430.512 1.948 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@@H](C)NCCn3nnc4ccc(F)cc4c3=O)C2)CC1 1853444150 IHKROUJYLIERCH-CVEARBPZSA-N 449.552 1.669 30 10 IDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)cc1C#N 1856350563 WNQORDHSQDKXIU-KRWDZBQOSA-N 429.542 1.756 30 10 IDEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861608776 OEXNLFTWXXTTMB-UYAOXDASSA-N 449.507 1.856 30 10 IDEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861751224 KYSGHGLTXSFGCN-QGZVFWFLSA-N 441.937 1.268 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891345 IGKIDHBBGYQLCY-QGZVFWFLSA-N 441.444 1.888 30 10 IDEE CCOC(=O)N1CCN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868784792 YYPFFBGJINKWPN-QGZVFWFLSA-N 447.561 1.442 30 10 IDEE Cc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1C 1870099351 AMVGUMBLXMYYON-UHFFFAOYSA-N 436.453 1.782 30 10 IDEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870388185 LNEPBPDQCBNLNR-UHFFFAOYSA-N 443.544 1.611 30 10 IDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532956 XNWGMDVFBZLDJP-UHFFFAOYSA-N 425.493 1.359 30 10 IDEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 1890242500 CUXWYCMYZZMLMH-UHFFFAOYSA-N 430.505 1.475 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1890371071 YVUWCCDXCNXWMO-HXUWFJFHSA-N 448.608 1.502 30 10 IDEE CC#CCN(CC(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900622051 RICCORRFGSVHCA-CVEARBPZSA-N 425.526 1.733 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2010031164 BHSYZCRHDIHIMJ-SPLOXXLWSA-N 439.509 1.874 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060638612 ZDUORTWGBMWUDH-FICVDOATSA-N 430.314 1.827 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085662337 XGYXWKJUQJEPBA-CABCVRRESA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2184059145 IVTTZJUPCSRYDS-ZNMIVQPWSA-N 440.294 1.990 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2248439865 CSGHYHFSGIZZGC-LJQANCHMSA-N 444.359 1.372 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255535565 XETYNADVHFMFII-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2255614333 JDSHWXSZJGJXRD-HDJSIYSDSA-N 434.346 1.988 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619679 RIVLTNOGZNFOCU-WDEREUQCSA-N 430.236 1.381 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255620135 WPSRIONPKYPAPW-UHFFFAOYSA-N 438.334 1.370 30 10 IDEE Cc1cccc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255676158 MSMURNNKJIINLF-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O)ncc1B1OC(C)(C)C(C)(C)O1 2256616563 CDEVVRSHFPIATL-GXTWGEPZSA-N 436.318 1.297 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256912471 SWMGGPIZKNSVMB-XJKSGUPXSA-N 429.282 1.497 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2264618650 OTAJJQBJUIUWNB-LSDHHAIUSA-N 448.329 1.475 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CCC2)n1 2267107463 OGPQLGCNADEJIJ-CQSZACIVSA-N 449.361 1.538 30 10 IDEE Cc1c(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267146616 OVIUUEKQXDKJTH-HUUCEWRRSA-N 448.373 1.918 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 2267271471 RYXHJGCHBGATCX-HDJSIYSDSA-N 449.361 1.680 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267607834 BOIPSVLHVIYZOP-DGCLKSJQSA-N 442.247 1.447 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270495242 YPOYMANGLKEYIH-WBVHZDCISA-N 428.507 1.307 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC([C@@H](F)CO)C3)cc2Cl)OC1(C)C 2282833462 HSMUUFNHLXHCEO-NSHDSACASA-N 425.740 1.652 30 10 IDEE CC(C)C1(C#N)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2286056049 QXVHHNWDUIYUQQ-QGZVFWFLSA-N 437.518 1.958 30 10 IDEE CC1(C)OB(c2cc(=NC[C@@H]3CNCCN3Cc3ccccc3)[nH]cc2F)OC1(C)C 2322297521 IATNNEFVOVYBED-SFHVURJKSA-N 426.345 1.828 30 10 IDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccn1 2329012438 YASZILDSGMGETJ-OAHLLOKOSA-N 429.550 1.898 30 10 IDEE COC(=O)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329013125 HHHVIZRMTNJGOK-OAHLLOKOSA-N 444.517 1.249 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2334263847 PCKMLZYBKOPBEF-BPUTZDHNSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2340990723 JCAJWTVAFPSRGY-CWRNSKLLSA-N 444.341 1.904 30 10 IDEE C#CCOCCCCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2344209363 GLQOWUGICBLMRT-QGZVFWFLSA-N 426.491 1.106 30 10 IDEE CC1(C)OB(c2ccc(CN3CCCNS3(=O)=O)cc2Br)OC1(C)C 2349792542 QVUXCLSRARIJPU-UHFFFAOYSA-N 431.161 1.788 30 10 IDEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccccn2)cc1 170353390 XABKUAKLUZHQOU-SFHVURJKSA-N 436.449 1.907 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@H]3CCCN(CCN)C3)nc2)OC1(C)C 204882608 CPUYQPCVNCVCAF-MRXNPFEDSA-N 438.403 1.000 30 10 IDEE C=CCN1C(=NC(=O)c2cc(OC)c(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@H]21 254840105 DCMQEJLSFPIAEW-DOMZBBRYSA-N 426.516 1.609 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NCCOc2ccc(C#N)cc2)c1 435408249 RXULHWVSBISSNN-UHFFFAOYSA-N 437.460 1.772 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 439933389 NZAIZAAGMSZTHD-BRSBDYLESA-N 448.497 1.329 30 10 IDEE Cc1cc(S(N)(=O)=O)cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1C 443562126 CMKJOJYQQFIQEQ-SFHVURJKSA-N 444.538 1.976 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1C 446112154 DTCOJVNQWNUJBA-KRWDZBQOSA-N 441.553 1.434 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(c2cnccn2)CC1 460393729 KHKLYTLNRCVWQJ-HNNXBMFYSA-N 434.570 1.360 30 10 IDEE C[C@H]1[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1 466797515 WMNBJTQIPULWAC-OXJNMPFZSA-N 425.510 1.779 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)CC1 468333527 ZLMXPGHGPUKBDU-UHFFFAOYSA-N 440.500 1.843 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1-c1ccccc1C#N 480926183 KRCXYYKUXRREPR-UHFFFAOYSA-N 446.488 1.315 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 480936469 OBKFDGKKLSVNMO-AWEZNQCLSA-N 445.566 1.284 30 10 IDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)s1 481073976 QBBIUPMHVUSBKR-UHFFFAOYSA-N 438.506 1.983 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccnc1N1CCC(CO)CC1 487746965 GCKUFXBWXPIFKD-OAHLLOKOSA-N 443.529 1.467 30 10 IDEE CCc1nnc(N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c(C#N)c1CC 507914533 XKUWZNPSGWDLEF-HXUWFJFHSA-N 436.564 1.833 30 10 IDEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)c(C)c1 514718951 XFWLSSLVUXYGCL-UHFFFAOYSA-N 441.557 1.896 30 10 IDEE N#Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1F 524015544 IMSNSCWVHFFAAV-UHFFFAOYSA-N 437.518 1.970 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)cc1C 730143976 XXFKHNGNBHRUCF-GOSISDBHSA-N 447.605 1.827 30 10 IDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)NC1CCCC1 732650706 CDGBZLJTBQKBKT-SFHVURJKSA-N 432.546 1.728 30 10 IDEE C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732666043 FFSDPAMVPVDOIT-HNAYVOBHSA-N 437.422 1.982 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)cn1 733077665 HHHQSKSNCPQEQR-OXJNMPFZSA-N 436.582 1.329 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC(=O)N2C)cc1 734966959 QRHPKSDHYXYUAF-PXNSSMCTSA-N 427.482 1.900 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 755093234 RZEKGOOBTAJLFS-QGZVFWFLSA-N 428.489 1.238 30 10 IDEE C#CCN(C(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)[C@@H]1CCS(=O)(=O)C1 767871477 MKQWYWRAEMKNJA-NPYXIHBLSA-N 438.546 1.098 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767884787 MQQZPFDHGUZMOA-UHFFFAOYSA-N 447.545 1.789 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n(C)n1 769289372 ZJEYNNYTAGMJRC-INIZCTEOSA-N 444.561 1.332 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccsc1 790433821 KXBMQRXEKJQNAW-UHFFFAOYSA-N 429.548 1.632 30 10 IDEE Cn1cnc2c1c(=O)n(CCCOC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c(=O)n2C 803926466 AOSAJOQCXCRDEW-UHFFFAOYSA-N 427.436 1.356 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3C#N)C2)CC1 804835728 YEDRBIGXMMIMAK-MRXNPFEDSA-N 435.550 1.337 30 10 IDEE C#CCN(C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)[C@@H]1CCS(=O)(=O)C1 807513530 ANXGCNHOLSEPNU-OAHLLOKOSA-N 426.926 1.105 30 10 IDEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H](C)C(=O)NC 813561967 BDLYEVAMOYEUSR-WMLDXEAASA-N 433.578 1.383 30 10 IDEE C#CCOc1ccc(CNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 1129127280 YXBGPMNVZQJESF-UHFFFAOYSA-N 441.553 1.775 30 10 IDEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(CNC(=O)OC(C)(C)C)n1C 1144429524 WECBHNFSUGAYGS-ZPHPHTNESA-N 431.493 1.614 30 10 IDEE N#Cc1c(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)[nH]c2ccccc12 1167488726 XYIBDODGSHHXTQ-UHFFFAOYSA-N 437.525 1.776 30 10 IDEE COC(=O)CN(CC#N)CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 1167577050 QTOUFLRHKMBVNB-UHFFFAOYSA-N 440.456 1.893 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)c(C#N)c2N)cc1 1245994345 MGKAQLNKIAWWOI-QGZVFWFLSA-N 435.532 1.877 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1278104018 SFVDOLIYZOJJLT-KRWDZBQOSA-N 431.436 1.905 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1286298973 RQCDWGSGPORMPF-WBVHZDCISA-N 430.530 1.732 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1286383617 DKAKHIBZUPMOQZ-JKSUJKDBSA-N 428.580 1.019 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286424809 MBUYVDBMNKUTOK-IBGZPJMESA-N 433.921 1.006 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286515303 XKHJUORZJJHQAT-UHOSZYNNSA-N 446.577 1.680 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286789279 DJFOSOPAJNWTKK-UHFFFAOYSA-N 434.548 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCOC1 1286814152 LRNUWPVOUOIUSM-INIZCTEOSA-N 448.549 1.389 30 10 IDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1293731812 VGCCUIXHJLDMRK-MUVJSTKWSA-N 425.551 1.807 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1298283313 CDOXCUTZZKVXAK-OALUTQOASA-N 444.561 1.572 30 10 IDEE CC[C@](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)(C(=O)OC)c1ccccc1 1299265605 FGBZIJJVQDGPQV-JOCHJYFZSA-N 443.525 1.752 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@@H](C)C1 1300267740 JHMGKZPSQSSNMK-ROUUACIJSA-N 425.537 1.884 30 10 IDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1300300858 LPAJIHGICQJVQT-INIZCTEOSA-N 432.464 1.997 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1300491514 HWYFMGYGHAAAMN-WBVHZDCISA-N 449.483 1.182 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCCC 1300537774 JWUMCPFBVKAGKP-PMACEKPBSA-N 431.606 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CCSC2)CC1 1300719526 DYGWIDFKARZKKB-OAQYLSRUSA-N 426.546 1.174 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2c[nH]nc2C)CC1 1300724643 AKUJZWLQHLZIDE-LJQANCHMSA-N 425.537 1.412 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1301499161 YZOYEUKKQCHALB-KRWDZBQOSA-N 443.596 1.417 30 10 IDEE C=CCOc1ccccc1Cn1c(Nc2ccn(C)n2)nnc1[C@@H](C)NS(C)(=O)=O 1301534441 ASCHGAPUTNJOOT-CQSZACIVSA-N 431.522 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1301569039 OLUNAJZJKIFBBT-UHFFFAOYSA-N 437.526 1.949 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1301816617 UXVDLDJNCWSENJ-VGSWGCGISA-N 442.520 1.937 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1306428223 LCFYZKRGWLWKNR-ORQRPPJRSA-N 445.549 1.087 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1306557787 WSHYLKMBALJKCJ-JJDSTIRJSA-N 436.532 1.996 30 10 IDEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCOCC1 1350776329 GOXYZDMLWOEHAY-MRXNPFEDSA-N 442.559 1.463 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c(F)c1 1353397613 AELWNNISUSCNBX-UHFFFAOYSA-N 444.444 1.175 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@@H](O)C1 1358941217 BKKUHEVCRRLIAC-SJLPKXTDSA-N 431.562 1.816 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1358955174 GCQKLUDDHCDEHR-ZDUSSCGKSA-N 440.463 1.945 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1358980228 NYYZPJNULDMXRJ-UHFFFAOYSA-N 425.443 1.394 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1358992498 NHHSHEDBOPDWOW-UHFFFAOYSA-N 429.484 1.583 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359059505 PIQNBIAWXJQZLT-KRWDZBQOSA-N 434.591 1.148 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H]1c1nncn1C 1359302688 QGHKJRWYFCFQGA-HNNXBMFYSA-N 427.538 1.406 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1360475739 DDMGQWSTMOYNEG-AEFFLSMTSA-N 425.537 1.956 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCC(=O)N(c4cnn(C)c4)C3)c2C#N)C1 1438002804 ZLJSJYDENVWDPU-CYBMUJFWSA-N 426.502 1.640 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ncc[nH]1 1453517960 OMDHUUQYOLFIOP-SCLBCKFNSA-N 427.461 1.993 30 10 IDEE CN(CCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(S(N)(=O)=O)cc1 1460165641 ALCLVARRIXXSKX-FQEVSTJZSA-N 427.530 1.379 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 1465666517 ZOPNCAFJSMGGCH-LSDHHAIUSA-N 437.990 1.600 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1499162046 FCMJVIZSUVIEJE-UHFFFAOYSA-N 429.550 1.401 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1505134786 DSUGJTRTTJWMMQ-QGZVFWFLSA-N 445.545 1.746 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@]2(C)CN(C)C2=O)c1 1507549245 FWYCNFFEOATYKZ-DEOSSOPVSA-N 445.527 1.818 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1507589603 XXBJBGWOHFAVRM-MSOLQXFVSA-N 449.621 1.972 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1507629931 RADADKFSIYHEAT-UXHICEINSA-N 437.525 1.789 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1occc1C 1507653793 UYSZYMOIQKZODS-UHFFFAOYSA-N 448.483 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCC2(F)F)CC1 1507722161 QKOWOWGUTNCRTC-CVEARBPZSA-N 444.552 1.469 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2cn[nH]c2)CC1 1507742754 PIIHKNZUEPJCQP-UHFFFAOYSA-N 435.507 1.940 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1507954849 QRBWWFMGACUTIM-APWZRJJASA-N 441.623 1.911 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(ccnc2O)C1 1508140155 GNPRHHLQLNYGSV-KRWDZBQOSA-N 433.534 1.784 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)CC1 1508151730 NTGQTTZOAFFCKQ-UHFFFAOYSA-N 430.563 1.409 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1508390616 WJYRTTNWGWZZCO-UHFFFAOYSA-N 437.548 1.644 30 10 IDEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1)OC 1514331056 GJTAVSATJSAIKG-IBGZPJMESA-N 426.521 1.927 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(Cn3ccnn3)cc2)c1 1526859920 KLBZVEKHDVCPFV-UHFFFAOYSA-N 429.480 1.813 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1539097626 UAJRFLXINYGXIU-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539155191 UPRHLODMJFEVGG-QHCPKHFHSA-N 441.532 1.515 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCOCC1 1539399062 AIDBYLDCZFMQLH-UHFFFAOYSA-N 432.546 1.861 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540870658 SSSWJQJYFVPLSV-SFHVURJKSA-N 443.552 1.401 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540874463 HLWAGWWGMJXUDH-PKOBYXMFSA-N 449.515 1.088 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC(C)CC2)C1 1540884049 JGJUGTZSWDBGJL-QZTJIDSGSA-N 440.614 1.402 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1541035418 XUPYOMJSDAGQAE-JLUOLNIDSA-N 441.536 1.567 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=CCS(=O)(=O)C2)cc1 1542161439 BZWMBAXWBJBQNT-JZJYNLBNSA-N 425.532 1.573 30 10 IDEE C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1544982254 GITOBTIHLCOBPY-JHBCHSCWSA-N 437.504 1.406 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1546091165 KHUCHEFXQZQXHL-UITZCYDRSA-N 425.493 1.805 30 10 IDEE CCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1547680180 DCHRWZWQQQECFO-DAYGRLMNSA-N 427.550 1.205 30 10 IDEE CNC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1554477291 AWFFBSKRXKQUKG-LJQANCHMSA-N 433.875 1.440 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1554499450 WZOZRJMDEJOUOG-UHFFFAOYSA-N 439.451 1.971 30 10 IDEE COCCOCCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555722119 AQEQTWDVGOVGLE-KRWDZBQOSA-N 440.552 1.975 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)C1 1555985287 MBQYQUSAXMJDMJ-YVEFUNNKSA-N 434.273 1.877 30 10 IDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457812 QFQRGJPHHFUHNY-SFHVURJKSA-N 430.461 1.184 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1O 1556542573 PECADKVAISZVIU-UHFFFAOYSA-N 437.518 1.889 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1587765465 GXUPJKZUDRYYLP-ROUUACIJSA-N 435.594 1.869 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1C(=O)NCC(F)(F)F)c1cc[nH]n1 1587882596 NWOLRSWMAMSCHJ-UHFFFAOYSA-N 441.366 1.624 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1588079029 QHLMEEWZYSZNLS-OAQYLSRUSA-N 427.892 1.086 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)CC1 1588199201 IZPZBFPXSHXEKG-UHFFFAOYSA-N 441.509 1.152 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCOCC1 1588445937 UVBTVMOKQABGBR-KRWDZBQOSA-N 430.578 1.697 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C)COC2)CC1 1588733409 ROLXTCKRIPILAV-UHFFFAOYSA-N 442.951 1.653 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1589403444 AETUPLDHSYKBLM-APIJFGDWSA-N 445.383 1.950 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1597813141 PDFMBQCAMDNTFP-RHSMWYFYSA-N 449.554 1.870 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1cccnc1 1618308380 AUSNHDFAZDQUBF-UHFFFAOYSA-N 425.518 1.440 30 10 IDEE N#Cc1c(F)cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1F 1625871596 QKKYLVNANXTNMQ-UHFFFAOYSA-N 435.452 1.912 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c(F)cccc1-n1cccn1 1627729119 GSRGKGTXFVHMKA-AWEZNQCLSA-N 427.461 1.866 30 10 IDEE Cc1ccc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1630219843 DDLKQWRIJNEQOY-UHFFFAOYSA-N 448.394 1.981 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)Cc2ccccc21 1631959456 LITQZNHWQUDNIE-MRXNPFEDSA-N 439.472 1.693 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)OCC)C(F)(F)F)s1 1632233435 FPELQCLSCREQJS-LLVKDONJSA-N 428.454 1.755 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(F)(F)F 1637392255 LHCACXFMCNBZGB-KCPJHIHWSA-N 447.435 1.425 30 10 IDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(N2CCNC2=O)cc1 1638742248 GQIQZEYQJHOTND-OAHLLOKOSA-N 426.498 1.880 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 1642903197 DFGKRHUZIMIGFO-UHFFFAOYSA-N 442.476 1.201 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(Oc3ccc(F)cc3F)c2)CC1 1643372518 PBDVCBJPKITNJG-UHFFFAOYSA-N 436.440 1.378 30 10 IDEE CC(=O)NCC(=O)N1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1644101526 DLVBSWRUXRZYGW-OAHLLOKOSA-N 445.589 1.886 30 10 IDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC#CCN2C(=O)c3ccccc3C2=O)C1 1644485571 PNMGOJMNGXASNJ-QGZVFWFLSA-N 425.485 1.020 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](CC#N)C(F)(F)F 1645009873 INJVNVIQVSXJLZ-STQMWFEESA-N 439.843 1.834 30 10 IDEE C#CCOc1cccc(Cl)c1CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1651823152 OIRPOAISULINGO-IAGOWNOFSA-N 441.981 1.824 30 10 IDEE CC(C)(CNS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1652300785 GBVXRVVQDLRTFB-BIWSTMPVSA-N 428.555 1.217 30 10 IDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1655826077 AORBSYNFPRSLCO-KRWDZBQOSA-N 435.546 1.024 30 10 IDEE C#CC1(F)CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1667569823 FDHVPGXKTRPWLU-UHFFFAOYSA-N 438.525 1.743 30 10 IDEE C=CCn1cc2ccc(NC(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)cc2n1 1673215810 NHXVCKALIOHSCM-UHFFFAOYSA-N 434.504 1.873 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 1673722483 SJISXYXKSNULLH-UHFFFAOYSA-N 447.561 1.176 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)CC2)c1C#N 1685128784 WDDYCQJUOHNQGD-ROUUACIJSA-N 443.552 1.545 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1689841650 LGPVEDJEHVDTGU-SJORKVTESA-N 441.532 1.915 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690018003 QVKQZOWHCDDWTO-DHIUTWEWSA-N 433.556 1.860 30 10 IDEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC 1690069524 QZPNIDLXCMOKKZ-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1690093941 OLIYMKUNVOBFCE-JTSKRJEESA-N 431.512 1.710 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccn1 1690236722 QHESIHNEQRZITJ-JZXOWHBKSA-N 434.566 1.901 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)[C@H](C)CC)CC1 1690375308 GQLVCMZBQCHGLH-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H](C)O1 1698458765 FHLWMPCOSGWTTB-CALCHBBNSA-N 446.577 1.407 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cn[nH]c1 1705480739 XYSMSMTZQFBFBQ-AWEZNQCLSA-N 426.550 1.970 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1NC(=O)CC1(C)C 1705489314 NBGSRCUXGNGZTK-HOCLYGCPSA-N 443.577 1.611 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1705499893 AURQIJQNFRFJGF-MRXNPFEDSA-N 429.546 1.505 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705532355 MMJMRNWFUJADAA-PMACEKPBSA-N 428.581 1.718 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1705571345 YTVAVPKYXWVWTH-SFHVURJKSA-N 444.557 1.923 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1705582629 FWRMLIMCGPKCFB-LJQANCHMSA-N 442.541 1.327 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1705620444 TZSBUOAMBWBNFY-WMZOPIPTSA-N 440.479 1.549 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[S@@](=O)CC)CC1 1705649685 CZWFYNABUBQFIL-HKBQPEDESA-N 441.601 1.798 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@@H]1C 1705935911 GLTAGONRRYXYLG-RRFJBIMHSA-N 448.636 1.111 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1C 1707550902 IAZRMXBFKNRIRT-IEBWSBKVSA-N 445.545 1.637 30 10 IDEE CCCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709671551 KHVAKAFKFJEJKB-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE CN(C)CCCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1711013277 XQDAYZHZPOZFIR-PZJWPPBQSA-N 440.548 1.890 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)CC1 1712502879 YNQFVSSYINZGFS-KRWDZBQOSA-N 439.564 1.746 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1712695769 FQSHPARLVDZNQB-OAHLLOKOSA-N 438.941 1.937 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCN(CC)CC1 1722347114 ZMKFIDUAIKPJNH-SFHVURJKSA-N 444.605 1.444 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722369056 VCKLKMQNFDMSGI-HUUCEWRRSA-N 432.493 1.428 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1conc1COC 1722380367 KRLMEXBADVPWSS-UHFFFAOYSA-N 429.440 1.849 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1722413381 MJHIQMQGNALPJI-INIZCTEOSA-N 447.527 1.914 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1722491241 JBPBHXBXGKERSQ-BSXFFOKHSA-N 426.518 1.311 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1722697400 JBXGBKLVUFIECC-IAGOWNOFSA-N 442.568 1.502 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1722706390 QKRPWBQWMQUEFG-UHFFFAOYSA-N 446.939 1.871 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722706975 CJYOBVMSVDBLTI-GAJHUEQPSA-N 438.532 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC(C)C)CC1 1722726587 GVLGQXAKZYUHEO-INIZCTEOSA-N 425.555 1.224 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1722808421 SAVXAYSDBCZEDY-UHFFFAOYSA-N 448.535 1.777 30 10 IDEE CC(C)NC(=O)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1723651296 FDYIYVGWKKVXSD-OAHLLOKOSA-N 425.541 1.477 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCNC(C)=O)c2ccccc2c1=O 1728639990 JHTPYPOITYCRMK-HNNXBMFYSA-N 436.520 1.939 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)C1 1729637161 FAXMVEQCJQFQGS-YCRNBWNJSA-N 438.532 1.831 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCN(C(=O)OC)CC1 1729705657 ANHVROGXADEWDD-UHFFFAOYSA-N 439.520 1.867 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1729740921 DFIKCIKXZNPZAG-RCCFBDPRSA-N 430.534 1.085 30 10 IDEE O=C1CN(c2nnc(-c3ccccc3Cl)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1731223479 REBCGDUAFNGTQH-HTXNQAPBSA-N 441.879 1.061 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1740616988 JZXSTCZSOMHLLF-RDJZCZTQSA-N 447.561 1.879 30 10 IDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740639578 WYRGHCLNSKITOU-KRWDZBQOSA-N 436.541 1.781 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2cccc(O)c2)n1 1740688967 MPWMLWMMQODZBM-UHFFFAOYSA-N 446.515 1.915 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1740749896 HAEYWWFMAWPMTA-CVEARBPZSA-N 432.525 1.476 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740802244 JUBLKEPMGJVATN-YJYMSZOUSA-N 440.932 1.569 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C2CC2)CC1 1740838928 BRCWRXSNTQKWPO-QZTJIDSGSA-N 439.582 1.438 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740951479 GYHPPXBFEWXVIL-GDBMZVCRSA-N 444.467 1.500 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1740961742 YDZSYYJYQKWVLS-UHFFFAOYSA-N 440.523 1.901 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1740995829 ZBPDJPRCZVVSEY-UHFFFAOYSA-N 429.612 1.739 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1743406821 ONHMYFHRKVMNNO-IBGZPJMESA-N 426.521 1.711 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCOCC1 1748651302 KQODBQNIFSIESU-HNNXBMFYSA-N 445.545 1.089 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCNS(=O)(=O)CC)c1 1748692140 RXPGMBAXCLCMBT-UHFFFAOYSA-N 446.577 1.571 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCOC2)c1 1748698010 OSPZMJAANAQHAE-GCJKJVERSA-N 425.489 1.337 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1748771870 PLPDWGFEMSTNFW-GCJKJVERSA-N 427.553 1.791 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC[C@H]1CO 1748799486 UKNNIYGSHZKZQN-NRFANRHFSA-N 436.560 1.475 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(-n2cncn2)nc1)[C@@H]1CCS(=O)(=O)C1 1748803400 YFRJOTZLMPRJHU-QGZVFWFLSA-N 440.533 1.052 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748811048 ANUFHJRFOKIWLV-RTBURBONSA-N 444.605 1.785 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1748824232 LWOTVPWMPNYYIN-GOSISDBHSA-N 443.529 1.392 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1749033635 KNBBRYVSLYZILN-HNNXBMFYSA-N 431.591 1.687 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749211415 YGGNVNCXHDBVQE-QFIPXVFZSA-N 443.552 1.592 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1cnnn1C 1749529706 KJQFUHQQEZLBAU-UHFFFAOYSA-N 431.504 1.755 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1 1749669849 LJZFDFZSZMFCBY-KRWDZBQOSA-N 426.525 1.132 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1749672199 SMNAZFYAKACYIQ-INIZCTEOSA-N 430.940 1.787 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749732092 PIUHUQLXQRGBGK-BBWFWOEESA-N 437.566 1.368 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCn2cc(C)nc21 1749821672 DVJANZJFWKHLPK-GOSISDBHSA-N 440.552 1.963 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1750386911 PQJMBGWIZASPMF-ZWKOTPCHSA-N 445.545 1.765 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1750966066 BHIVMEZRLFTNTG-MJGOQNOKSA-N 445.568 1.036 30 10 IDEE Cc1coc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1751737778 PKPDDRKWYPHUEM-WMLDXEAASA-N 436.538 1.608 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1760352643 UNPUVFCHLHNZJX-GVDBMIGSSA-N 427.571 1.629 30 10 IDEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760391206 UWPBUJPSALFAOD-NRFANRHFSA-N 432.546 1.584 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760425796 VWEPUMVLFZKEHA-DLBZAZTESA-N 435.536 1.962 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760519185 VHTPMJYUIXCSPW-UHFFFAOYSA-N 435.532 1.860 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](CC)C1 1760547013 BLJPQDARRJTSSP-JKSUJKDBSA-N 425.555 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760557840 XLGVQASGWOTUQM-AEFFLSMTSA-N 426.583 1.852 30 10 IDEE CCO[C@]1(c2nnc(N(C)CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1765816031 WMFNYGRJPSYTTF-WLBHNISZSA-N 446.552 1.939 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1767898797 SFFADBQRWMUJTD-QGZVFWFLSA-N 434.456 1.725 30 10 IDEE COCCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771041043 WXNOCRBOGVRUCO-UHFFFAOYSA-N 449.563 1.835 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C(=O)C2)C1 1853632164 FRTXLMDKLZIQQZ-DLBZAZTESA-N 434.924 1.447 30 10 IDEE COc1ncccc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856380544 PFCSHYNAWGCLFX-OAHLLOKOSA-N 425.514 1.582 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(OC)(C(F)(F)F)CC3)CC2=O)CC1=O 1856960811 ZSWGOTHJCMNXJR-HUUCEWRRSA-N 431.455 1.439 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868739012 IEBWCGBMWJHMJN-QGZVFWFLSA-N 438.546 1.963 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873561587 RATBWIUXNRKWLO-HZPDHXFCSA-N 426.521 1.535 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cs1 1889501719 UHCRUXGIDFTSRR-UHFFFAOYSA-N 427.534 1.412 30 10 IDEE O=S(=O)(N=C1C=C2N(CCO)CCO[C@@]2(O)c2ccccc21)c1ccc(Cl)cc1 2041194829 MNTPHSUBFKHGSB-FQEVSTJZSA-N 434.901 1.885 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CN(C(=O)OCc2ccccc2)C1 2243421648 OHLUEJHBVPLDAG-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676223 GZPHKBSTTOEKRM-ZYHUDNBSSA-N 427.332 1.655 30 10 IDEE Cc1cnc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255613278 YDEXODJJUYGZHZ-CQSZACIVSA-N 433.314 1.970 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626462 GKMGTWVTFJQIPL-QWRGUYRKSA-N 430.236 1.381 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(CNC(=O)OC(C)(C)C)C1 2255650475 ZRGFQCSXDHKQNG-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE Cn1cc(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255823850 YQRFCABWOTUWOI-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256938140 QORAPNPZLLZWHR-OAHLLOKOSA-N 445.350 1.757 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267501611 ADUNPHFMNCEIHS-HZPDHXFCSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267517521 UYDFAFROJHFFSE-LSDHHAIUSA-N 448.329 1.169 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267526075 MNFIAXYHLJKWFX-RBSFLKMASA-N 446.357 1.942 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267541267 BGVXENCBKXGTGO-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880558 BJUBMKMTCCWJDY-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE C#CCn1ncc(N[C@@]23CO[C@@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c(Br)c1=O 2281276653 MWJXVGVOTAHAIK-SUFBMKPHSA-N 439.310 1.876 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2312781427 IFJBODMWCBCRMU-UXLLHSPISA-N 435.330 1.134 30 10 IDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OCC)ccc21 13791884 WVXKGXLBIKMBNG-MSVBSMQLSA-N 449.554 1.612 30 10 IDEE Nn1c(N/N=C/c2ccc(O)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 21315613 PMKHOFBSGQWCLO-UFFVCSGVSA-N 441.473 1.646 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@@H]1c1ccncc1 72472477 ZEFIBKAZJQMMHL-WMLDXEAASA-N 430.424 1.533 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1C#N 427121901 MUDQGYGNTZMNTB-UHFFFAOYSA-N 434.421 1.903 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446627096 DTMDKZYSPTXKGV-QHGAOEGBSA-N 442.564 1.885 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1ccccc1 460941264 RXBSIEXPOAZFKY-GOSISDBHSA-N 435.550 1.186 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC3CCCC3)C2)cc1 461742295 IEHZSXOVIRNVHP-FQEVSTJZSA-N 426.517 1.869 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 465261467 KOFHLMZIBQFFIX-DZGCQCFKSA-N 426.427 1.717 30 10 IDEE C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)C(=O)OC 481768104 YXIFQRBMUGQLMX-INIZCTEOSA-N 425.438 1.429 30 10 IDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508503363 FVEDTOFLFZQKDJ-KRWDZBQOSA-N 436.520 1.790 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 512927214 KTETXDSEGJMHDO-OAQYLSRUSA-N 431.581 1.706 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)CC1 524519353 LPVAKMFQJVPZLM-GOSISDBHSA-N 446.571 1.268 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccnc2OCC(F)F)CC1 534795789 NSXMKOCYBGWKOT-UHFFFAOYSA-N 436.440 1.744 30 10 IDEE N#Cc1cc2c(nc1NC(=O)c1cccc(S(=O)(=O)N3CCNC(=O)C3)c1)CCCC2 539373856 GIBCXLCCBFTDTC-UHFFFAOYSA-N 439.497 1.205 30 10 IDEE C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 543875966 NHWZGTKJFBPURX-UBBBCPEZSA-N 439.859 1.887 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)CCN1Cc1ccccc1 550870354 PGXXXCJYGPJPOU-QHCPKHFHSA-N 442.523 1.784 30 10 IDEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 561045956 AXCWHCUTXPGCJP-MRXNPFEDSA-N 427.548 1.308 30 10 IDEE O=C(O)/C=C/C(=O)[C@H]1CNCC[C@@H]1NC(=O)c1ccc(I)cc1 585832998 ZEZHPTYOGSSQMY-AAAGKOELSA-N 428.226 1.209 30 10 IDEE N#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 609239245 GSVDQAZTHHROJL-UHFFFAOYSA-N 432.477 1.718 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 642710775 IXPVCWJPUGUMIT-FUHWJXTLSA-N 449.581 1.434 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)c1F 669653401 BMBFYEDCNGIQHZ-UHFFFAOYSA-N 439.468 1.966 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2)C[C@@H](C)O1 732446590 SXEOPWLKBFXXAJ-GFUWFAGDSA-N 428.493 1.021 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732650287 MOVUPHDYXBMIJV-MDZRGWNJSA-N 432.546 1.297 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CCN1C1CC1 732673785 FNFMRIJSHCRIMZ-UXHICEINSA-N 441.532 1.242 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 741392546 PQFUVMLYHQRURH-SEPJKUCUSA-N 438.506 1.295 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@@H]1CCS(=O)(=O)C1 741674549 GVSOUDXHTUAPHJ-QZTJIDSGSA-N 449.598 1.587 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(OCC)cc2)C1 760303395 BXFOMVWYDXQBSY-DOTOQJQBSA-N 447.561 1.957 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 763936450 HKDAXJDIPGLNLW-SILNSSARSA-N 444.579 1.786 30 10 IDEE C[C@H](CC(=O)N1CCO[C@H](c2cccc(O)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 766787196 IDMUPYFNAOFKFF-KDOFPFPSSA-N 429.498 1.809 30 10 IDEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771548734 PAKLOWCEUZHDDZ-OAHLLOKOSA-N 431.497 1.501 30 10 IDEE CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C(F)F 776042621 RYPDEQKOKUCFMN-ZDUSSCGKSA-N 426.445 1.165 30 10 IDEE N#CC1(c2ccc(C(=O)NS(=O)(=O)CCS(=O)(=O)c3ccc(F)cc3)cc2)CC1 777324904 WBPYQMQMJMHXQB-UHFFFAOYSA-N 436.486 1.914 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)n1 788997480 FHKGBZXRHBBQES-UHFFFAOYSA-N 433.534 1.270 30 10 IDEE C#CCn1ccc(CN(CCOC)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 789324786 RVCWIJPRGOFISS-UHFFFAOYSA-N 427.524 1.843 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 794648110 XGFYTGACDLGJCG-INIZCTEOSA-N 437.521 1.062 30 10 IDEE CCOC(=O)C1(COC)CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 794705161 UQSDHMHHOHBFGG-OAQYLSRUSA-N 428.489 1.574 30 10 IDEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc2nc(O)oc2c1 794878814 DDUJYCCEGLOMKK-UHFFFAOYSA-N 430.490 1.701 30 10 IDEE N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 795815237 AKIOOBVTPFQZCK-SFHVURJKSA-N 436.493 1.830 30 10 IDEE COC(=O)[C@@H](OC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C#N)cc1 795839842 MIUSLMMNKBORQK-LPHOPBHVSA-N 438.358 1.947 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H]2CCCO2)CCN1C1CC1 802683532 WMIMYOHGYIUOPD-DLBZAZTESA-N 446.515 1.949 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccs1 802702439 IKVCUDIRFXCTBS-HIFRSBDPSA-N 435.579 1.175 30 10 IDEE COCCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 812127968 IZBRUULKQHVOQT-JXFKEZNVSA-N 446.515 1.977 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 816758842 YTLWFQLQAQYHFB-ZIAGYGMSSA-N 446.323 1.099 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1129063730 UNIYARGYZNVLAL-MOPGFXCFSA-N 447.513 1.425 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3nc(N(C)C)ncc3Br)CC2)c1C#N 1129488011 LXEQUBGTTOKSJV-UHFFFAOYSA-N 436.339 1.904 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)s1 1150953274 DYYOPADDHNYNAP-FUHWJXTLSA-N 440.635 1.239 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 1151745835 USRVWBSFDDMSHA-CQSZACIVSA-N 429.564 1.758 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(NC2CCOCC2)CC1 1152943518 PFDICZXZNKBNQU-UHFFFAOYSA-N 434.562 1.265 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 1175514665 CTNORMJCYAPQOC-UHFFFAOYSA-N 445.463 1.619 30 10 IDEE C=CCCn1cc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nn1 1180194627 IWDLNELBLUHWSE-UHFFFAOYSA-N 433.534 1.522 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1253893064 JZYJEZCNCCXFKY-HOTGVXAUSA-N 427.567 1.854 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(N2CCCS2(=O)=O)CC1 1275814112 HYWGANAIKOOVBK-UHFFFAOYSA-N 442.335 1.726 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286348916 BFCDCWQPOOWSAE-MOPGFXCFSA-N 428.581 1.765 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1286359463 WUAXLTQABNFBBD-UHFFFAOYSA-N 430.534 1.252 30 10 IDEE C#CCN(c1nnc(CC)n1CC1(N(C)C)Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1286391818 DXIRZYJEWLEBIR-FQEVSTJZSA-N 441.601 1.566 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc2c1OCCCO2)[C@H]1CCS(=O)(=O)C1 1286394432 OOKIZAQIVYUSAU-KRWDZBQOSA-N 430.530 1.677 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286606393 OIQCOXKSCSVAJV-SFHVURJKSA-N 447.561 1.862 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1286609286 ZPDFJGPMSLWFKW-SJORKVTESA-N 435.554 1.206 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286712860 MUIRHAQIFFIXCP-UHFFFAOYSA-N 439.520 1.377 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1286787157 POYFABSDEZOFDZ-GOSISDBHSA-N 439.442 1.567 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1286788300 UJGMVYKWQJEMTM-CRAIPNDOSA-N 433.459 1.940 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286799662 YLYGCTIJLQQHTB-HSZRJFAPSA-N 441.532 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1286821136 BBVIHGJMNCSQMT-UHFFFAOYSA-N 445.589 1.641 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286955352 XMZQUAQYQPVTAW-QIDMFYOTSA-N 438.532 1.852 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C1CCOCC1)C1(CO)CCC1 1299977886 JSYRWHJZHJXRRM-HNAYVOBHSA-N 435.546 1.299 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1300309569 VAIUNBBGZBWWTO-WBVHZDCISA-N 443.529 1.643 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1300317480 ROMVGXDFZVZRMX-INIZCTEOSA-N 441.557 1.748 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[S@@](=O)CC)c1 1300331642 NUGVGQBNXURTNT-HKBQPEDESA-N 444.561 1.241 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1300410277 MKXZYCPKANWLKA-QZTJIDSGSA-N 439.582 1.277 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1300410728 PYVUSRWFSPFHES-LSDHHAIUSA-N 433.500 1.666 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1300695518 CSKIXIVQBRPFCJ-QFIPXVFZSA-N 448.575 1.745 30 10 IDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1301009103 GVMHAIQDNSLOOM-HXUWFJFHSA-N 445.589 1.662 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC(N)=O)CC1 1301502272 FIQJTRVJDLJJCB-UHFFFAOYSA-N 432.475 1.541 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301505762 AQOHZRXGHRLDBO-LJQANCHMSA-N 442.539 1.469 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1301760795 WBMQUYVHDMNMME-UHFFFAOYSA-N 434.447 1.679 30 10 IDEE CN(CCc1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1301971290 MDBPLBLEVLSEDJ-UHFFFAOYSA-N 428.514 1.357 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2ccccc2Br)CC1 1302925082 VZYKNAGWXUOZNN-UHFFFAOYSA-N 432.365 1.153 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1304696252 XNQPWFGIEMVWOX-CQSZACIVSA-N 428.246 1.125 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@@H]1C 1313873945 FIMFNZOXJRHCKX-IRXDYDNUSA-N 435.536 1.824 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1314177740 AIEBDBNWEPQDLX-RCCFBDPRSA-N 443.504 1.621 30 10 IDEE COc1cccc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1OC 1315578193 FRWJPWCOPILGJP-UHFFFAOYSA-N 436.520 1.892 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCOCC2)C1 1316355556 HMMLVZHZYREHCN-UHFFFAOYSA-N 444.561 1.763 30 10 IDEE CSC[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1316435843 FYBISCCKYMGIGY-XLIONFOSSA-N 447.586 1.698 30 10 IDEE CCCS(=O)(=O)NC1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1353741755 YYKNBQODROXHOT-INIZCTEOSA-N 430.571 1.894 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1358928202 WEPLSYUTDJCMPJ-UHFFFAOYSA-N 435.488 1.302 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1358965880 DAIVFCOCAHBQSP-INIZCTEOSA-N 430.521 1.919 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2cnn(C)c2)CC1 1359032035 YXKDGBVEQBRJFJ-UHFFFAOYSA-N 434.504 1.975 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC(F)F)CC1 1359034329 LZIGRGCVQNHEPF-UHFFFAOYSA-N 443.458 1.978 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCC(C)CC2)CC1 1359045430 GXOAGLCWAKSQIN-HXUWFJFHSA-N 428.581 1.480 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1359151047 LQDWJCBVIDIELK-SJORKVTESA-N 440.976 1.198 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1359291238 IYJWLSVONXSSPX-MRXNPFEDSA-N 430.509 1.799 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1359493007 DXTKWRZNVIPFKR-HXUWFJFHSA-N 431.472 1.610 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)n1 1448863347 VFQYYNJNPFISDD-PGRDOPGGSA-N 434.537 1.906 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)s1 1452086686 LLKPQBBXQZXLCF-KRWDZBQOSA-N 433.555 1.454 30 10 IDEE CC(C)(c1nnc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)o1)S(C)(=O)=O 1452691946 IOTJSTQFZQKCAS-UHFFFAOYSA-N 431.518 1.615 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1454270082 UCHNQUCVXOSIGB-OAHLLOKOSA-N 441.351 1.297 30 10 IDEE COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1455524721 CWAUEGRBUKHUAN-SPLOXXLWSA-N 432.498 1.729 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](C(=O)OCC)c2cccnc2)s1 1455675048 KQWAFLWGRKZKTB-GOSISDBHSA-N 437.543 1.913 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC([C@@H](O)c3ncc[nH]3)CC2)CC1 1459957785 ACJFKXKTIRAREW-FXAWDEMLSA-N 428.562 1.626 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 1464263821 BPEJMSWPLSWFGO-HXUWFJFHSA-N 429.565 2.000 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1468881190 GQXHPNYQGQSHLZ-FQEVSTJZSA-N 441.509 1.598 30 10 IDEE C#C[C@H](NC(=O)N1CCC(n2nncc2I)CC1)C1CCOCC1 1470867573 WYNNMZWFGBNUMT-AWEZNQCLSA-N 443.289 1.658 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)c1cc[nH]n1 1471723333 CTVGMGJWUTVPGJ-YCRPNKLZSA-N 449.508 1.742 30 10 IDEE N#CCc1ccc(OC[C@H](O)CN2CCn3ncc(I)c3C2)cc1 1473823518 JDUSVCVBANIRCE-CQSZACIVSA-N 438.269 1.809 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1503807040 MUOLBUFDNGYGPM-GOSISDBHSA-N 428.493 1.107 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1507626937 HMFDGYPYPLXRGH-MRXNPFEDSA-N 435.937 1.361 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1507660576 BACYSXDEQPTFPG-JOCHJYFZSA-N 448.589 1.751 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1507689922 MPGJCULREIJJGY-GOSISDBHSA-N 429.546 1.694 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508079268 QBMDVVJKZXLKTJ-HKARXFIJSA-N 436.516 1.892 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508089139 AUWQPSWJIUQBEQ-UHFFFAOYSA-N 442.568 1.137 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](OC)C1 1508134255 CKIPXZZHFZQTQG-ZDUSSCGKSA-N 444.355 1.862 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)[C@@H](C)C1=O 1509425291 ZWLSMUKNPUEJHQ-BXKMTCNYSA-N 449.559 1.988 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1510029812 DDCIDCDDUUIWQB-SJORKVTESA-N 446.577 1.407 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1515121335 FHJCAPRRLPAUPE-UHFFFAOYSA-N 439.520 1.217 30 10 IDEE CCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516687976 QTDUUYBGMGGLRD-AEFFLSMTSA-N 436.582 1.173 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1516746030 WBHVZMBFLGLOGS-NRFANRHFSA-N 426.477 1.796 30 10 IDEE Cn1cnc(Cn2c(N3CCC(C#N)CC3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 1517403401 RWJQJNCRYKVTDW-IYBDPMFKSA-N 441.540 1.966 30 10 IDEE COC[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1518708214 FDQGZPQVIQVRAK-KRWDZBQOSA-N 449.563 1.787 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1519401532 JTGKGOJAOCQQTI-HXUWFJFHSA-N 437.504 1.582 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCSCCCO)CC2)nc1 1521101840 JOJXFKZBPPBLQA-GOSISDBHSA-N 443.577 1.838 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@H]2CO)CCO1 1521136038 AKPNCUCECSFBSP-PMACEKPBSA-N 425.537 1.230 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3C(=O)OC)cc2C1=O 1525712445 HTXYDMVEOIZOEP-UHFFFAOYSA-N 442.449 1.911 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1536179276 GAIKDLOCQVEKRK-PPHDSNJXSA-N 425.304 1.712 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ncc4c(c3C#N)COCC4)C2=O)cc1 1536737411 YOKNKJNVKVSNRY-QFIPXVFZSA-N 435.440 1.440 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1539437842 HZZSAYHWHHSTGX-UHFFFAOYSA-N 427.512 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)OC)CC1 1539466537 AWVGDRNASWYMSE-UHFFFAOYSA-N 432.569 1.587 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1539509890 ALOYWIQNMWLSNI-AWEZNQCLSA-N 438.513 1.960 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC(C)(C)C1 1540072432 LHUIMNBNQYZLAS-QGZVFWFLSA-N 440.614 1.355 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)cc1 1540877776 FMXVFSNGHHVUQO-LJQANCHMSA-N 441.532 1.690 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CN(C)C(C)C)CC1 1540902802 QOABOBZBFRJREX-LJQANCHMSA-N 439.626 1.939 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1n[nH]c2cnc(Br)cc12 1544519603 RVHVDXWOUUYOHU-UHFFFAOYSA-N 435.263 1.398 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1554510800 IBDRXXLWRXDYJV-UHFFFAOYSA-N 440.476 1.513 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1555191418 GWGWOXLZJMOZKE-QZTJIDSGSA-N 431.518 1.103 30 10 IDEE C#C[C@H]1COCCN1C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1563701653 DEUOEXXHUTVUJJ-IBGZPJMESA-N 431.489 1.848 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1=O 1586116038 SIHKJJZMIJZZLX-STQMWFEESA-N 431.967 1.800 30 10 IDEE C#CC[C@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1587392722 SEMIJLMHRBAHCH-LJQANCHMSA-N 449.573 1.071 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1589481853 CVUWCAMQDMVKPT-TWMKSMIVSA-N 441.598 1.655 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1593740773 FFOBMUKKVVIJLT-IBGZPJMESA-N 432.569 1.371 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1594820123 UQMDXSPEKSHOSM-FQEVSTJZSA-N 440.548 1.684 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](COC)C1 1595537712 WSOXQJJLGUNDRA-QGZVFWFLSA-N 438.488 1.754 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1598091161 WOVUNSGJNBCINI-SFHVURJKSA-N 437.548 1.940 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1610444732 CZANATXPDKVIMA-SFTDATJTSA-N 446.483 1.670 30 10 IDEE COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1ccc(O)cc1 1616199039 BAOKWAJLPURWBK-AWEZNQCLSA-N 434.445 1.590 30 10 IDEE N#C[C@]12CN(C(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1616329508 UBTLYXPVPUHZPD-MGPLVRAMSA-N 443.382 1.436 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)CC1 1616926310 CWGYJANFLOXTQC-UHFFFAOYSA-N 430.317 1.629 30 10 IDEE O=C([C@@H]1COCCN1CC(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 1618072928 LNTRRVJNXLINTN-VIFPVBQESA-N 429.336 1.997 30 10 IDEE COc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c1 1619330546 GOWNOJROTVILHO-INIZCTEOSA-N 439.520 1.435 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1620354969 FQLOZRYSNBTGHU-IAGOWNOFSA-N 431.518 1.375 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 1620637786 FEYRMCALMXBHAY-VAMGGRTRSA-N 433.597 1.868 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)C1=O 1623718208 GWNLIMGNFDPPHI-HNNXBMFYSA-N 436.509 1.601 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(CCCO)C1 1624410386 FMSBMAUXVLIROQ-QGZVFWFLSA-N 436.578 1.249 30 10 IDEE C#CCN(CC(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC)C(=O)OC(C)(C)C 1627448040 JJHGCRQCZZJXLG-INIZCTEOSA-N 435.496 1.726 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCC1(C#N)CCCC1 1628342097 SRRUJFASCGJFFQ-ARFHVFGLSA-N 425.551 1.857 30 10 IDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1629920510 BHMFPBKWMDLYQS-HNNXBMFYSA-N 449.349 1.855 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1632367086 FWINZIKNGQPFQI-INIZCTEOSA-N 435.322 1.465 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3cncc(C#N)c3)CS(=O)(=O)[C@H]2C1 1635329229 QFXWNFZOMBVEBG-ZACQAIPSSA-N 434.518 1.240 30 10 IDEE CO[C@@H]1COCC[C@H]1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1635478720 OQSLQFVKEUTERV-IFXJQAMLSA-N 430.484 1.749 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1640778993 RDDBYXJOKUDGOT-UHFFFAOYSA-N 443.481 1.416 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1OC 1640916016 HLNUGIRUWHPBBM-KRWDZBQOSA-N 433.486 1.046 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 1641724670 FEULESZSHGEWKG-QGZVFWFLSA-N 425.533 1.381 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1(C)C 1641854794 IVDNPJAAIGXJOS-MRXNPFEDSA-N 436.534 1.598 30 10 IDEE COc1ccc(C(=O)c2ccccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1648028800 OKRZIOWSPPHPRQ-UHFFFAOYSA-N 430.420 1.757 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2sc3cccc(F)c3c2C)CC1 1671159745 YHDYNFIMEJVKFY-UHFFFAOYSA-N 431.536 1.123 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)n1 1676568684 MPYRTBRPUAHAMJ-QGZVFWFLSA-N 444.536 1.268 30 10 IDEE C=C(C)CN1CCC(NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1677106041 XZWUDBXEWYQCRQ-QGZVFWFLSA-N 435.569 1.546 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1689847543 BQGNZZHKDQFAJU-WAIKUNEKSA-N 435.532 1.199 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(=O)NCCC)c1 1689872062 NMGOCTDIVGEZGV-UHFFFAOYSA-N 445.527 1.846 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](F)COC)c1 1689873645 QQHORBSZPGBCBT-KRWDZBQOSA-N 442.495 1.441 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689982660 RQCJVFPWXSIRDM-GCJKJVERSA-N 446.573 1.987 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1690128716 INKWEOJNEDKKRD-JGCGQSQUSA-N 448.596 1.946 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC2CC2)CC1 1690131986 CEGVQGTVXRKDIY-UHFFFAOYSA-N 436.560 1.755 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690150276 BIXXJNBILZFDBK-OALUTQOASA-N 442.608 1.696 30 10 IDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690159959 RORHKOWWBXLPRA-HDICACEKSA-N 446.529 1.899 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1690256036 AUSIXGTWXZJBFL-CQSZACIVSA-N 433.600 1.258 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CCCC2)CC1 1690726635 GZMBJWBSWHRXNQ-UHFFFAOYSA-N 444.605 1.929 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690728957 BTVUKKPCJFYKHX-QGZVFWFLSA-N 447.561 1.433 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690731312 HTFVICMKSDDRSQ-OAQYLSRUSA-N 434.610 1.734 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1692850852 BHYLSMYOUYRPGW-BEFAXECRSA-N 434.566 1.356 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1696046336 HWADANKMYGLDQU-UGKGYDQZSA-N 430.553 1.929 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H](C)C2)CC1=O 1698087622 IEEKXGYPOVKYOT-MJGOQNOKSA-N 438.532 1.927 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)F)C1 1698483408 BNBNZONVVRDCQH-FQEVSTJZSA-N 444.421 1.954 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 1705643073 RAWPTVJXSXPVET-OAQYLSRUSA-N 431.924 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2nccnc2C)CC1 1705648876 BHCBDNWXOAMHHD-UHFFFAOYSA-N 432.532 1.591 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1705834165 FMRNOJIVRVHVFE-AWEZNQCLSA-N 433.513 1.884 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NCCOC)CC1 1705899507 VOVRUNFDVROORB-UHFFFAOYSA-N 444.511 1.365 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705902432 FDEBWTVCLJQTHZ-IBGZPJMESA-N 444.580 1.703 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@]2(CCOC2)C1 1705908904 XOKMEVVYBKHFJE-HSZRJFAPSA-N 441.532 1.717 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1706072592 FOQBVBWVFRTYOS-XOBRGWDASA-N 431.566 1.995 30 10 IDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1706710250 FLLWVUQNPGMBRY-UHFFFAOYSA-N 435.536 1.541 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCC1(F)F 1706889106 CTVOBSRSQDMMCV-MJBXVCDLSA-N 432.497 1.443 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)CC(=O)N1C 1708182835 QUBFRZMPBFQALN-HKUYNNGSSA-N 438.532 1.927 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1722402112 HEGJOUOQXQWCDB-KGLIPLIRSA-N 436.607 1.977 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1722437852 KAJSOXCZWNXVSC-UHFFFAOYSA-N 440.552 1.747 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722534750 QULCWKCCEXGEAW-UYAOXDASSA-N 429.569 1.818 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1722538241 WCZLNMSGFWJHRV-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1722672412 PVDUHJJOIRUOAR-MRXNPFEDSA-N 433.534 1.819 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722696573 BYONVPUFVAHPEZ-UHFFFAOYSA-N 428.497 1.094 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1722697399 JBXGBKLVUFIECC-DLBZAZTESA-N 442.568 1.502 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722698148 USPSAHXLGSZTSE-UHFFFAOYSA-N 430.516 1.769 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703572 BXAXDCNSJJWMGE-KGVIQGDOSA-N 433.553 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722728168 UWERGXPSJVRQRY-QZTJIDSGSA-N 448.593 1.890 30 10 IDEE C[C@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1726733470 BCRMTADYSSUUBV-NSHGMRRFSA-N 425.537 1.492 30 10 IDEE COc1ccc(OC)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1730184862 ACHZQIMLVARCNE-ZIAGYGMSSA-N 436.538 1.550 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740618193 DQZISSIMBDTZJB-WMZOPIPTSA-N 447.561 1.194 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740619835 ADIXJNVLXYECEZ-KRWDZBQOSA-N 431.562 1.727 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740685392 MXQTUQCDMQPRBZ-UXHICEINSA-N 443.548 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCC(C)CC2)CC1 1740707817 RCYVBVAXXSJSOP-UHFFFAOYSA-N 430.597 1.902 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1740774603 WAWHJGKVOVAQIY-INIZCTEOSA-N 429.587 1.829 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740794453 AUJHSGKTOZOAIO-CABCVRRESA-N 431.459 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1740955811 ADBQIPBQWBEOMX-UHFFFAOYSA-N 447.927 1.371 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1740973357 WGMZOUUCHDZVTN-MZKRTTBSSA-N 447.580 1.970 30 10 IDEE CC(C)NC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1741130701 BCXUUCRAFQHYBX-QGZVFWFLSA-N 439.568 1.963 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccsc1 1741941996 ZGPVHTKVBROSDZ-WMLDXEAASA-N 449.606 1.369 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 1746947402 DSDANBGZNRBCPG-AZOSJMHDSA-N 447.561 1.616 30 10 IDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1748730138 INMWYHKGZDSZKD-GOSISDBHSA-N 441.536 1.990 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(=O)N(C)C 1748824687 HSYWMUCUWGXOKP-UHFFFAOYSA-N 440.935 1.803 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)CN2CCOCC2)CC1 1748992941 KVRMQZFGSPQSCL-NRFANRHFSA-N 436.604 1.901 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(COC)cc2)CC1 1749009310 OQQDXIXQQHUMEK-UHFFFAOYSA-N 445.527 1.896 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCOC2)C1 1749084061 NESLQXOLYYTXPB-GOSISDBHSA-N 449.309 1.830 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)(C)C)CC1 1749342578 IXVGXEGARYVAET-KRWDZBQOSA-N 441.598 1.829 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1749368511 KZMDJPIFSWDPBQ-MRXNPFEDSA-N 438.554 1.838 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](COc2ccccc2)C1 1749676211 IWXHURGXFITMJO-NRFANRHFSA-N 448.527 1.850 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(C)(=O)=O)C1 1749692780 ALTCBWBYRUIXRT-HNNXBMFYSA-N 434.522 1.141 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(C)C)C1 1749723580 AJROVJUHQASXJH-HOTGVXAUSA-N 447.627 1.362 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1750077318 UGGXIZHOSYXLMR-KZNAEPCWSA-N 438.598 1.013 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCC2)CC1 1760269575 LUNLSVQLTCTQQA-GOSISDBHSA-N 447.605 1.726 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCS(=O)(=O)C1 1760299203 MFAOTYPYOORWII-RYLXDESZSA-N 436.578 1.819 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1760419435 RSGLMZSVJJWFEN-DLBZAZTESA-N 444.623 1.798 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760552144 DEUOUUSTMPYAGP-OAHLLOKOSA-N 432.550 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760557841 XLGVQASGWOTUQM-FUHWJXTLSA-N 426.583 1.852 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1760689654 AZSLPAARMLKNDG-CQSZACIVSA-N 430.534 1.471 30 10 IDEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCOCC1 1768479181 GCNJSERADQXQDL-LJQANCHMSA-N 437.548 1.629 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1769193391 DCCFUPYIOISRLI-YOEHRIQHSA-N 432.912 1.873 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)NC)CC1 1769338843 HXXQHOFECPXHML-UHFFFAOYSA-N 439.520 1.217 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1770016769 KQCZQZXCAYBWFH-RDJZCZTQSA-N 430.509 1.868 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1770960649 NDFNIYADOWZXJH-ZCNNSNEGSA-N 443.504 1.120 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)OC2=O 1774174028 ZXTWPLPYGDZUFU-VFNWGFHPSA-N 436.509 1.379 30 10 IDEE N#CCC1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CC1 1851529029 XCYIJTKHDYCORD-OAQYLSRUSA-N 428.558 1.962 30 10 IDEE NC(=NOCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 1853434791 YRORUZOTZNHRIV-UHFFFAOYSA-N 433.310 1.615 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1854466492 KWRJSCKRZPZNMR-MSOLQXFVSA-N 435.521 1.780 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)CCC)c3ccccc32)CC1=O 1857140962 BLPWPDMEKCQJBS-HZPDHXFCSA-N 433.530 1.777 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858337356 ZYHYAAPBFKYDFJ-CQSZACIVSA-N 436.471 1.208 30 10 IDEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862595049 YJEIFIVGNDTOID-LJQANCHMSA-N 426.425 1.821 30 10 IDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CC=C)CC=C)cc1=O 1870561658 XARMLTYJDAWVLR-UHFFFAOYSA-N 441.553 1.924 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595584 JPWPWOYFJZPEAB-UHFFFAOYSA-N 434.500 1.955 30 10 IDEE Cc1cc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)nc(N2CCOCC2)n1 1889648196 NLJKUPMXLJPHKI-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE C=CCN(CC(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1)C(=O)OC(C)(C)C 1984808330 LLGKCKUYDPFDTA-HXUWFJFHSA-N 427.498 1.990 30 10 IDEE C=CC1(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 1993280584 OUZSCZVAYLCRNV-GJZGRUSLSA-N 425.526 1.896 30 10 IDEE C#CCN1CC[C@H](NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2024555111 UXWTYPGNPVTRIY-RDPSFJRHSA-N 426.561 1.980 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)O 2067741842 CSWDKHQMQHPXEO-ZDUSSCGKSA-N 436.318 1.379 30 10 IDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCCO 2130101967 XDAGXUUXLWIUHJ-ZDUSSCGKSA-N 433.511 1.154 30 10 IDEE Cn1cc(Br)c(S(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)n1 2178407288 LKWUQLHELIVKEJ-UHFFFAOYSA-N 444.120 1.073 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243675761 AEFPNZYPWHIILF-NSHDSACASA-N 427.332 1.921 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 2246472418 DJPXAHUVUWBGDB-XHSDSOJGSA-N 438.525 1.718 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2255542363 QJZMALGZZIDPBZ-CABCVRRESA-N 432.330 1.553 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)n1 2255635998 OFUZTAVJKWXXJT-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE CO[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255665579 HYGVXRFJWWASFI-KGLIPLIRSA-N 436.318 1.073 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2255834504 NZRGHPREYAAXQW-UONOGXRCSA-N 434.346 1.671 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255835732 YBOKOGFLZKGHJK-KRWDZBQOSA-N 429.326 1.369 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267170741 ZPMXKGXHLIOCSP-NUEKZKHPSA-N 444.341 1.904 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188533 NTICHCLYEOVQRG-CABCVRRESA-N 448.373 1.952 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 2267272055 WUXCHSHBWBXEAJ-CYBMUJFWSA-N 443.275 1.855 30 10 IDEE CCc1nn(C)c(C(=O)N(CCC(N)=O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267515632 RCLLKMNPRWRAOF-UHFFFAOYSA-N 440.353 1.800 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2267549969 SKTKRHFUVIAPGM-CWRNSKLLSA-N 444.341 1.904 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269085791 HMUGIGINLUCEBQ-PBHICJAKSA-N 443.309 1.508 30 10 IDEE COc1ccc(Br)cc1C=NNc1nc2c(c(O)nc(=O)n2C)n1CCO 2327751687 SLMJOXQXAIXADI-UHFFFAOYSA-N 437.254 1.045 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@@H]1NC(=O)C(F)(F)F 2337288995 DNHGIZPGXVXMKS-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2nc(O)ccc2Br)CCN1Cc1ccccc1 2342441586 HEXDDSAMVNVPNU-CQSZACIVSA-N 437.319 1.948 30 10 IDEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1C(C)(C)C 20839608 OJQCQPAHXUHDMT-UHFFFAOYSA-N 427.581 1.921 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 26226680 CPKJBFSJGJOYCV-UHFFFAOYSA-N 443.485 1.802 30 10 IDEE C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 26477456 NKQQZMYQIVIKPU-INIZCTEOSA-N 430.505 1.709 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106263616 QVTPAXDVLHHHKC-UHFFFAOYSA-N 431.500 1.403 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H](CC(=O)N2CCOCC2)CCO3)cc1 169784757 VDXWFDBPNGJVBI-IBGZPJMESA-N 447.557 1.757 30 10 IDEE COc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc([N+](=O)[O-])c1OC(C)C 169884294 DMUJKJMDFCLNFN-UDWIEESQSA-N 425.511 1.521 30 10 IDEE CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccc(CN4CCOCC4)cc3)NC[C@H]2C1 305043420 WRLSFASWSYHOQK-FQEVSTJZSA-N 429.565 1.899 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 460945737 LQDCKHQROZRQQE-UHFFFAOYSA-N 426.569 1.888 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 461199773 ZNNOTRXYWJUPLM-BHIYHBOVSA-N 433.530 1.163 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2cccc3c2OCO3)CC1 471364928 COSUHWFLAVLVTA-UHFFFAOYSA-N 427.482 1.753 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)C1=O 474876947 IWJUKYFJPFSILQ-AWEZNQCLSA-N 425.363 1.582 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 508998870 FMZNWWMQAZIIAW-WOJBJXKFSA-N 438.532 1.480 30 10 IDEE C[C@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)C1(S(C)(=O)=O)CC1 510265237 SOQYBERQUFYCIB-HNNXBMFYSA-N 427.530 1.904 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516374349 ZVLXWWFGDZGILB-UHFFFAOYSA-N 429.542 1.211 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 516687959 JOTOVDRNPRTFCD-GOSISDBHSA-N 449.533 1.552 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C(C)C)c2=O)cn1 527030657 BFBVHMOGLUPEEW-UHFFFAOYSA-N 436.541 1.765 30 10 IDEE C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533272972 VRZUEQVDHZAJIZ-GJZGRUSLSA-N 426.477 1.041 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1=O 542157040 KXCPIJKNHJYHLF-IBGZPJMESA-N 436.516 1.754 30 10 IDEE COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1OC 544875129 SQYUOJBNRABORZ-IBGZPJMESA-N 449.511 1.463 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)Nc3cc(-n4nnnc4C4CC4)ccc3F)CC2)n1 546209595 JHSGLTCEYPCZKD-UHFFFAOYSA-N 447.478 1.706 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 549641058 GYYCHZNCIAOFFT-ZIAGYGMSSA-N 438.558 1.039 30 10 IDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 549683776 PDPAFAFPGVVLJT-RUZDIDTESA-N 449.603 1.935 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 603505414 NSTDCIMOFCZGJA-UHFFFAOYSA-N 425.493 1.040 30 10 IDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1 603797785 GVMYOLZKULGCDJ-GOSISDBHSA-N 425.554 1.733 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3cnccc23)c1=O 611916229 VYIWGYURCCEIOE-UHFFFAOYSA-N 448.548 1.476 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669806375 IYOWLABIPAUYSL-SJLPKXTDSA-N 438.536 1.100 30 10 IDEE CC(=O)N(C)c1ccc(C(=O)NCC#CCNC(=O)c2ccc(N(C)C(C)=O)cc2)cc1 683869272 NJWIUYNLNLXCAE-UHFFFAOYSA-N 434.496 1.815 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)Cn2c(C)c(Br)c3ccccc32)CC1 728531225 DNGXIIZTORAANO-UHFFFAOYSA-N 431.334 1.606 30 10 IDEE C#CCN(C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)[C@H]1CCS(=O)(=O)C1 729332695 VCPIVMKBWGAYDV-INIZCTEOSA-N 441.534 1.774 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CN3CCc4ccccc43)CC2)c1=O 732187415 MDGCZZCKDVTGEP-UHFFFAOYSA-N 437.544 1.276 30 10 IDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 732650598 YVNZHPDHZQVOLX-YKSBVNFPSA-N 431.496 1.806 30 10 IDEE N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CCN1C1CC1 732651614 DSMUEMQCOSNSJB-INIZCTEOSA-N 437.953 1.334 30 10 IDEE N#C[C@@H]1CN(Cn2nc(N3CCOCC3)n(-c3ccccc3)c2=S)CCN1C1CC1 732672561 JODMMPPYYQIPPC-LJQANCHMSA-N 425.562 1.870 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 733149601 MRZHKIXNLJYCJA-UHFFFAOYSA-N 428.533 1.609 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(C[C@@H]2CCCO2)C1=O 735226432 YTVSBVWODNZLJV-YJBOKZPZSA-N 448.545 1.594 30 10 IDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)s1 736586570 ZPXKMRKWDHFJCH-UHFFFAOYSA-N 446.598 1.044 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)cs1 739855670 VGOLWHFXPYQFDV-UHFFFAOYSA-N 443.558 1.854 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)c2ccccc2OCC#N)cc1 747312534 IRUVADBIKVWKRE-UHFFFAOYSA-N 427.442 1.415 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 747445521 VNDVJWWCNQPMEX-KSZLIROESA-N 433.530 1.293 30 10 IDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 751729898 RLYTXTKWNYFHAL-GHXNOFRVSA-N 442.497 1.198 30 10 IDEE CCOC(=O)Nc1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1C#N 752299154 JJSBQZWAWXAAAN-UHFFFAOYSA-N 444.492 1.135 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC2)CCN1C1CC1 752847455 WKPHPAQFVWQCDF-DOTOQJQBSA-N 441.561 1.483 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnc1-c1ccco1 765488010 DMFYFJHXKLNFJB-HTXNQAPBSA-N 442.501 1.849 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1cc[nH]n1 770824731 QQTQGGCCBARCIP-AWEZNQCLSA-N 434.250 1.837 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cc[nH]n1 772464023 YSXGWHUHTQMLBF-LPHOPBHVSA-N 433.896 1.909 30 10 IDEE N#CC1(c2ccc(C(=O)OCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)cc2)CC1 777175057 YCXIIWIBUUFKCV-UHFFFAOYSA-N 425.466 1.635 30 10 IDEE N#CC1(c2ccc(C(=O)NS(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)cc2)CC1 777342736 WXWBGVZVPDJUPN-UHFFFAOYSA-N 433.873 1.878 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 779933151 GATZRBKLWJLLLZ-MRXNPFEDSA-N 441.472 1.926 30 10 IDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802612264 DZEHMTKLBJARRA-SJORKVTESA-N 436.468 1.712 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccc(F)cc1 812938285 KWPIWFIPYNVAPX-GOSISDBHSA-N 431.493 1.798 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 818823540 HWEWJCQTBFSIRD-CVEARBPZSA-N 448.520 1.601 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(I)cc1 917925402 FAHNBYJJKBCRIR-LBPRGKRZSA-N 439.296 1.102 30 10 IDEE COc1cccc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1 1084020658 OIHDYCMFWWVAGE-UHFFFAOYSA-N 429.481 1.994 30 10 IDEE C/C=C\C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1138132138 UDYMETUUZYFXRW-SIEMBAAWSA-N 433.530 1.973 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(=O)OC)s3)CC2)c1 1141836120 BZQYSBYBGREMDH-UHFFFAOYSA-N 449.554 1.961 30 10 IDEE CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1152415886 KAOJCHXWQOIZHM-UHFFFAOYSA-N 429.426 1.886 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1161394109 WMDROWUTJZPYNB-INIZCTEOSA-N 442.947 1.901 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)CC1 1183512243 ZZHDLIHJMPTLCS-UHFFFAOYSA-N 431.514 1.709 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1286296990 UDGVFJPAKOKLAN-MJGOQNOKSA-N 447.561 1.286 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286392366 GUXHDGSFAKYXGL-OALUTQOASA-N 431.562 1.706 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286563974 WVTUZTMMMLAOAU-CRAIPNDOSA-N 447.565 1.234 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)C(C)(C)C 1286719313 FQWCKBXDYPYGJX-UHFFFAOYSA-N 430.538 1.756 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286791037 SAHCGGADMXOVDI-HSZRJFAPSA-N 438.532 1.493 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1287280436 PRFFKFGUGSDZPJ-IDYLYPCZSA-N 437.504 1.728 30 10 IDEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1287506637 NWGUFMJCQRLLSA-DXIQSLLYSA-N 443.573 1.770 30 10 IDEE CC(C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1287917671 GJWWWACFGGUFEP-UHFFFAOYSA-N 434.552 1.612 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1289000466 ZWCLBVISSSLPAX-WMLDXEAASA-N 428.468 1.640 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1296368491 PVBIMIWGRLQEBW-ZDUSSCGKSA-N 447.945 1.279 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1297813190 JHLXBDOZLCZBLF-RGLODSGSSA-N 426.546 1.741 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(Cc4cn[nH]c4)CC3)C2)C1 1299621536 HAANNNZTVKIWCV-DKTYTTGXSA-N 428.537 1.841 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1300488101 AUBXEEPMJUAMKC-MOPGFXCFSA-N 443.529 1.105 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300540675 AOLAUKFOQBKEHY-HXUWFJFHSA-N 430.487 1.820 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CCOC)C1 1300871460 BZWFYXVHJDDDNZ-MLHJIOFPSA-N 441.598 1.732 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1300899956 KGAWBIMVRZROJA-HNNXBMFYSA-N 426.587 1.549 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300915548 OFLKVOXKWGSRTH-RXVVDRJESA-N 448.545 1.743 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1301028519 RXQPINRKODDGPH-SFHVURJKSA-N 428.514 1.236 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1301223357 STICIYJOFIZMOX-YLJYHZDGSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301502347 GCMKHJZWGGGOGK-NYHFZMIOSA-N 447.486 1.834 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)CC(F)(F)F)C1 1301566016 IXZIOELXPKQFBX-OAHLLOKOSA-N 430.475 1.676 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1301578489 CBRZVLIAJPHISM-UHFFFAOYSA-N 442.545 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301588586 HXERQSUMNKAYIA-SJLPKXTDSA-N 434.566 1.185 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1301652635 NISIHKUBIHYDNF-CVDCTZTESA-N 438.532 1.927 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1301808404 CXZDBAPVNOBRKP-LJQANCHMSA-N 441.536 1.428 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1302986147 FPLMYQFUGVTULK-ROUUACIJSA-N 442.545 1.486 30 10 IDEE CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1303212696 HXFBGBWGFPRTBU-UHFFFAOYSA-N 449.519 1.908 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1303330684 BKDUNMVQRNEFET-UHFFFAOYSA-N 435.488 1.947 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)C1 1303556414 GQQZVSSHLCACPL-DOTOQJQBSA-N 427.567 1.440 30 10 IDEE C[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1305220819 FZRQBARZPVBLFV-PXNSSMCTSA-N 438.532 1.784 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(O)CCN(C)C1 1305520418 CJFYZLLKSPROIU-KSFYIVLOSA-N 441.584 1.098 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CC2CC2)[C@H](C(N)=O)C2CC2)CC1 1308017749 NEFGPHWXOTVZKF-IRLDBZIGSA-N 427.524 1.510 30 10 IDEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1308115473 YNBOCPLVUFTCAX-KKSFZXQISA-N 442.541 1.326 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)CC1 1313397222 DVEUKHBXSMUJRX-UHFFFAOYSA-N 440.529 1.889 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)c2ccccc21 1314900547 PFSBNDGZSQOBOS-HXUWFJFHSA-N 445.524 1.818 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)N1CCOCC1 1358968473 MVZVQGFPLGVPJN-FQEVSTJZSA-N 434.544 1.941 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCCC2(C)C)CC1 1359027945 BFSMNBSILYLMCR-QHCPKHFHSA-N 437.548 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(C)noc2C)CC1 1359047129 SGLMTWNGKKAZRN-UHFFFAOYSA-N 439.520 1.019 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1359103119 KHHFWKCMFKSQCI-DYESRHJHSA-N 430.553 1.487 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1359142126 AYLNYKNARYHXJN-CYBMUJFWSA-N 430.962 1.090 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1359151045 LQDWJCBVIDIELK-IAGOWNOFSA-N 440.976 1.198 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1359298140 OPOAXUCMLMLDQS-UHFFFAOYSA-N 449.490 1.744 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1359307258 FNAHHKXOZGIZGN-QWFCFKBJSA-N 442.516 1.755 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359336882 DYBZOTNTNDLRAX-LSVZVQIISA-N 429.612 1.405 30 10 IDEE CC(C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1359637988 IFMCPAAMBLXTMA-OAHLLOKOSA-N 447.565 1.169 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1360713042 FBSRPOQELJLZOM-IKICRFKJSA-N 448.524 1.875 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)C(=O)C1 1437802966 KEPXIAFYYRCUGV-UHFFFAOYSA-N 442.516 1.759 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)n[nH]2)c1C 1449250653 QJMDWWFHSWMXQQ-HOTGVXAUSA-N 434.566 1.914 30 10 IDEE C=CC[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1453000430 RZXJNOPCUDMVSC-AEFFLSMTSA-N 428.576 1.583 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@H]4COC[C@@]4(C(=O)OC(C)(C)C)C3)CC2)o1 1453080144 NIBMVWBRXWKBAK-AOMKIAJQSA-N 430.505 1.888 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1COCCC1(OC)OC 1453770715 SNWKLOKNQUFWJG-HNNXBMFYSA-N 443.294 1.992 30 10 IDEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1454718798 YXUCUUQEEKQWME-HNNXBMFYSA-N 426.491 1.140 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](O)c2cc(OC)ccc2OC)cc1 1455537863 SMNVEMVCMJARJY-JLTOFOAXSA-N 432.498 1.467 30 10 IDEE CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)O1 1466486943 VRCSWTVMXOSVLS-NVXWUHKLSA-N 435.322 1.509 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4ccnc(C#N)n4)CC[C@@H]32)CC1 1472805228 BQUIVSRTPKMAMZ-CVEARBPZSA-N 427.509 1.720 30 10 IDEE Cc1cc(NC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(C#N)cc1N(C)C 1476702677 CWDWDAXPLQIMGS-UHFFFAOYSA-N 440.548 1.901 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCC[C@@H]1OC 1503102462 GYKSNKUWALEONY-HKUYNNGSSA-N 442.568 1.870 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1503218259 INMBIVVRNPALKV-LEWJYISDSA-N 440.548 1.515 30 10 IDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507620298 NCPBHZWOIQWOTL-UHFFFAOYSA-N 429.528 1.682 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(n1)CCCC2)[C@H]1CCS(=O)(=O)C1 1507637443 KFVTZSPYBCEWCR-IBGZPJMESA-N 443.573 1.763 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1507673163 OAMCLPRCOYCPNI-UHFFFAOYSA-N 446.555 1.748 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(=O)NCC)CCC2)CC1 1507733430 YKTODJUJOHFVJK-OALUTQOASA-N 444.580 1.064 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508084163 JFGKHLUSWVTJDY-MRXNPFEDSA-N 442.545 1.276 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1508116033 DXTLSUXXEIINDT-UXHICEINSA-N 429.569 1.817 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@](C)=O)CCC1 1516540373 WGKBIJLFIKPODE-PMERELPUSA-N 430.534 1.651 30 10 IDEE CCOCc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516548727 SLVVJSSYRMIHHJ-RSBDWGPQSA-N 430.509 1.346 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(C)nnc1N1CCCN(c2ccccc2C#N)CC1 1516824937 IDOQAEGVYGAYSK-UHFFFAOYSA-N 445.593 1.847 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1517224534 DRWJXLNHYIQHDT-SFHVURJKSA-N 447.561 1.741 30 10 IDEE COCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1518802513 AWOHTTOMWJMEDB-QZTJIDSGSA-N 431.518 1.104 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1521711745 BEAKKWKOZKRBJC-HNNXBMFYSA-N 439.476 1.464 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539212870 YIXUMUQYHLHZTQ-MRXNPFEDSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539219339 IYTBHISMLBMWTM-FQEVSTJZSA-N 445.564 1.731 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539225588 PHVGMGUNJKRXSS-ICSRJNTNSA-N 449.621 1.358 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccccc1 1539311640 VBQDAZMAFKSAQV-UHFFFAOYSA-N 436.541 1.725 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)n(C)c1=O 1539315936 ZXZIAZVEBLARHZ-UHFFFAOYSA-N 432.484 1.524 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1539451960 HBLYYGVLQUUROM-UHFFFAOYSA-N 441.580 1.487 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1539512800 HUTHZVNZWGNKFD-UHFFFAOYSA-N 449.606 1.400 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1539669394 PRXNZSGJLBJZOL-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2)C1 1540882441 IOCCBGFOCJIQCQ-MAUKXSAKSA-N 435.550 1.727 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1541120322 ZXNRNXRHOKQEKQ-DLBZAZTESA-N 425.541 1.399 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1541675697 UUGJNIYXJFMKRH-MRXNPFEDSA-N 440.552 1.927 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1545989763 KEOFWMVMCOZAFW-RCCFBDPRSA-N 440.552 1.974 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCN([C@H](C#N)C(C)C)CC1)N2C(=O)OC(C)(C)C 1546287034 ZACBAHRPOHTFBY-QXCZDIPSSA-N 448.564 1.866 30 10 IDEE CC/C=C\Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1546794217 UIESKQCZHFVYFT-DDKKJVIOSA-N 441.561 1.740 30 10 IDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1554274118 DLXMSHNBBKOFPA-LJQANCHMSA-N 446.577 1.840 30 10 IDEE CCn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnc1-c1ccccc1C 1558510939 IKPDPAZPATUUBU-YWZLYKJASA-N 445.570 1.762 30 10 IDEE COC(=O)[C@@H](O)CCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1558862549 GJRVABLJFVPDRL-KRWDZBQOSA-N 427.482 1.943 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 1561070690 PFUCPOFGDRZBOO-UHFFFAOYSA-N 448.551 1.368 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCOC[C@@H]3CC3CCOCC3)C2=O)cc1 1564690286 PLRMCIXESIGVJH-LEWJYISDSA-N 426.517 1.886 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCc3cc(C#N)ccc3F)CC2=O)C1 1565356377 ZMEXFPFTRLWQKM-OAHLLOKOSA-N 431.468 1.717 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587549798 CHRGACGFNZVPDF-MSOLQXFVSA-N 437.548 1.640 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1587640300 QPYNHWHZBQVFMS-HZPDHXFCSA-N 432.525 1.347 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1587883856 NHKNQPFAHQPYIO-UHFFFAOYSA-N 444.499 1.729 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1587984710 JMXKWHBOFZBGEL-KRWDZBQOSA-N 446.552 1.321 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1588049949 OCEAUHSGJNFWRN-SFHVURJKSA-N 433.578 1.575 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1588314511 GZQMWRDTJHYZDC-ZDUSSCGKSA-N 426.468 1.849 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1588993528 KQFUJXIIZKZSCQ-UHFFFAOYSA-N 436.559 1.564 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589289458 RZANYESHSBQSEJ-ZDUSSCGKSA-N 441.330 1.700 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CC2)N(C)C)CC1 1594096870 JOPRXBJEKOROKR-ZWKOTPCHSA-N 438.598 1.108 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1594455528 QYVVGFXBJYZVRA-JKSUJKDBSA-N 436.586 1.924 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1595251350 RNGOEANXFFQTJV-SFHVURJKSA-N 435.488 1.600 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1595613890 KGEKDBOGHBAEHW-SJLPKXTDSA-N 425.489 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595777902 UINKKJMXXGUGBS-DYESRHJHSA-N 432.546 1.930 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1603673528 BYJNYGBEZCFMIR-RBUKOAKNSA-N 425.537 1.610 30 10 IDEE CC1(C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1611794793 BOQFVEUGJLWZKO-VXPUYCOJSA-N 437.504 1.406 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)C[C@H]1C 1615858972 HUZOSICBMIBTEE-QGZVFWFLSA-N 445.593 1.677 30 10 IDEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618732861 WLJSQRXEBHOTMS-IBGZPJMESA-N 425.510 1.812 30 10 IDEE COC[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1619585056 DMLYYQHFOLBGAK-RDJZCZTQSA-N 440.570 1.024 30 10 IDEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1620293466 BPLHXWNFCQNTDF-OAHLLOKOSA-N 428.584 1.104 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 1627015194 LIDDFOMKULBGAL-UHFFFAOYSA-N 444.276 1.948 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 1627449530 DCAGHFRNKQKEMO-QGZVFWFLSA-N 440.504 1.840 30 10 IDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1630674589 NLLOOZAVMQTBPU-INIZCTEOSA-N 430.486 1.389 30 10 IDEE CCO[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1CNC(=O)OC(C)(C)C 1632096821 ZNWWKUPVMKGXJW-DGKZKERLSA-N 436.509 1.291 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1634259781 GUCFYPACRLXYKN-GOSISDBHSA-N 448.545 1.605 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC(CC#N)CC2)C1 1638341059 XFTAJAKNEHLSGC-INIZCTEOSA-N 428.555 1.746 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3ccc(OC)cc23)CC1 1643372446 LXDCQYAQCCZPKM-UHFFFAOYSA-N 428.514 1.346 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1643808486 DIDONBWZFYCJHV-QGZVFWFLSA-N 429.473 1.971 30 10 IDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CCOCC1 1644567962 XQTQUBIYNSRBPD-UHFFFAOYSA-N 433.574 1.298 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 1645274480 QMFWUPDJAHZIEE-QGZVFWFLSA-N 431.334 1.734 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)ccc1F 1645506523 JMDUTNBFEKPAKL-KRWDZBQOSA-N 438.452 1.943 30 10 IDEE Cn1cc([C@@H]2CSCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1645652387 JCSXPTJTOOLIPI-KRWDZBQOSA-N 447.586 1.946 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1cncs1)Cc1cncs1 1652848098 AIPXNMFRFBWPPL-UHFFFAOYSA-N 433.540 1.867 30 10 IDEE CC(C)CN(C(=O)CN(C1CC1)[C@H](C)C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1654164379 AQTUGPUSDWUNOB-MRXNPFEDSA-N 438.532 1.945 30 10 IDEE C[C@@H](NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(OC(F)(F)F)cc1 1660310101 RPLYEDGOAKODDM-IFIJOSMWSA-N 431.436 1.633 30 10 IDEE C#CCN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1675071371 YXDNRVYHLDVDSJ-TZNCUMHOSA-N 439.578 1.995 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1675972796 ZRJUEJTVBPPWMD-HZPDHXFCSA-N 431.555 1.397 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1689955924 YTTIZHAUNPBNAF-VZCXRCSSSA-N 436.472 1.558 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690007857 LORHCDUCZAAHEU-IBGZPJMESA-N 425.558 1.862 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1690104547 ZEOHQJLABDZQBT-HXUWFJFHSA-N 448.483 1.419 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)CC2CC2)CC1 1690129081 OSGXBTLKKXJLLV-UHFFFAOYSA-N 445.564 1.588 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1690133661 OYEOOFJRMQBVMU-IBGZPJMESA-N 439.564 1.238 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690243201 IHLIUTYITJKVRM-FUHWJXTLSA-N 447.565 1.188 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2F)C1 1690669506 HLVNWAPAMLBTEI-SJORKVTESA-N 428.468 1.248 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1690669942 STVNWARLTFPYDA-HNNXBMFYSA-N 432.916 1.223 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1690725166 HRNMHCILSCMQCL-QGZVFWFLSA-N 437.610 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690727121 UGDKYLFMRHODQN-UHFFFAOYSA-N 437.610 1.915 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@H]1COCCO1 1692767860 ZDNNIVSYEFGUSX-YJBOKZPZSA-N 448.549 1.202 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1693398232 AAMGOBLKRYLQAF-GOSISDBHSA-N 448.531 1.994 30 10 IDEE CC[S@@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1696519199 JUQFPAPUWISPSP-FZEVHQGJSA-N 443.577 1.882 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1696999423 FRJZTOFLNSWZJF-LJQANCHMSA-N 437.548 1.501 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1697558053 KDRGLPMELFNHBJ-XOBRGWDASA-N 427.440 1.384 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1697762283 HJBLEAISXNMZQR-ZWKOTPCHSA-N 444.511 1.781 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C[C@H]21 1698258503 FTCZBSORGCSSJV-IPMKNSEASA-N 429.546 1.970 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1705551282 KPWIMDXPKQOTIJ-SFHVURJKSA-N 433.534 1.127 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2CC2(O)CCOCC2)n1 1705631616 KIWIERXXOOPGMN-UHFFFAOYSA-N 442.564 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CSCCS2)CC1 1705647914 LESWQNWJSVKBMY-IAGOWNOFSA-N 435.619 1.596 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705664466 PVWDJIPSBOWHOH-UHFFFAOYSA-N 448.593 1.824 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705665759 CRPYWBIQJDXMNZ-UYAOXDASSA-N 448.637 1.560 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1705900705 MVLWKKDSFLQQDN-IAGOWNOFSA-N 440.552 1.559 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705903239 RPYSMCOPJNGZHN-IRXDYDNUSA-N 432.569 1.953 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705912507 MCRBEDXIKNLXSM-IAGOWNOFSA-N 445.545 1.466 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1705920722 DANZNGMGSJZWAZ-SFHVURJKSA-N 432.488 1.751 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@@H]2OC)C1 1705928705 HGDKQZVNQNCCLV-AQNXPRMDSA-N 430.553 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1705938767 ISTUMSUKMMMARS-YLJYHZDGSA-N 442.582 1.392 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1706064078 NBMRUDZLNLEOFN-MRXNPFEDSA-N 439.520 1.312 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)OC 1712557421 QXRXHXDBBLXATL-IAGOWNOFSA-N 429.525 1.630 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCOCC(F)F)cc1 1712881847 LOGBGIKMBHNCCO-UHFFFAOYSA-N 425.461 1.579 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1722370455 LDDOQMPPSRCYKG-JPYJTQIMSA-N 434.500 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722378064 PELAWUHJEMKPSX-UYAOXDASSA-N 438.557 1.617 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722382261 XMFNLSPENIJDMR-FGZHOGPDSA-N 446.555 1.684 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722412126 VVRQQDFSMUTDPT-CVEARBPZSA-N 439.582 1.801 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1722442714 ZYJVOSSLGAHFFT-UHFFFAOYSA-N 430.459 1.766 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)NC(C)C 1722469050 SGSSSCSLJRLZFD-WOJBJXKFSA-N 439.582 1.250 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722492314 AYCFTPZZYUWUHX-NJAFHUGGSA-N 445.568 1.438 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1722641279 ZKIYDTSNBAXRQX-ROUUACIJSA-N 446.577 1.748 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1722862446 BTLVXZJQJOWQBE-IAGOWNOFSA-N 445.593 1.937 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1ccc(N(C)C)cc1 1723916104 TYDVDXPJCINIMZ-HOTGVXAUSA-N 433.582 1.935 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1729369215 GROYWXXNZSIBJW-QZTJIDSGSA-N 445.545 1.779 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1730788309 FBZAAQORYRADSE-QFIPXVFZSA-N 426.521 1.391 30 10 IDEE COCCOCCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730923106 OWGCFZNLDHWCES-UHFFFAOYSA-N 449.515 1.852 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1730942678 CPFOOBSHQKCNDA-BZSNNMDCSA-N 437.566 1.567 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1740530917 AWMPQAWDLRWNLZ-MRXNPFEDSA-N 428.512 1.898 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740547633 ZLCGNVJZINEOCX-SFHVURJKSA-N 431.548 1.778 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCNS(C)(=O)=O)c1 1740563102 UJLPCFZBJLNXOC-UHFFFAOYSA-N 432.550 1.181 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1740589054 NNPHVKXDFDKOEU-KDURUIRLSA-N 436.516 1.938 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740625540 QWYZMBYJQVQQJP-ZTFGCOKTSA-N 449.602 1.686 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740626706 YOBQWEAOWKEFLK-GOSISDBHSA-N 448.593 1.582 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1740628673 SIQWITYUCJEGIR-HNNXBMFYSA-N 435.550 1.775 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1740631278 SKYNVBLOQCBZGK-NRFANRHFSA-N 428.514 1.227 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1740638504 NHTSTXVARBONJG-ROUUACIJSA-N 442.541 1.729 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1)C1CC1 1740911378 ZZDKNTCOLSKXAQ-HKUYNNGSSA-N 437.610 1.692 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740947028 NZVRTYDJKQUPKZ-RXVVDRJESA-N 447.561 1.203 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740989654 UGUAIRUYUWPDMJ-OAQYLSRUSA-N 429.546 1.571 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCCCC2)C1 1740990302 PZFCGVOEWWKHNH-KRWDZBQOSA-N 431.566 1.401 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740996675 GZZDKDSWYCRFQC-HNNXBMFYSA-N 449.602 1.935 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1740999794 GYHAORKIDRBAIS-OAHLLOKOSA-N 437.529 1.840 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1COCCO1 1741170375 ATHJRYLUOQTOIT-SFHVURJKSA-N 425.537 1.974 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1744755569 ACOQPTQPIULXDN-ZWKOTPCHSA-N 442.545 1.499 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1748730004 BKVPFWUISWZGLA-ZWKOTPCHSA-N 430.553 1.295 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1748810519 XLAFQXMAGPUFGC-INIZCTEOSA-N 425.518 1.057 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)nc1 1748940775 QDVLLJVMYJRKAP-FPOVZHCZSA-N 440.548 1.742 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1748994698 NSDTVBSHRFEXTN-UHFFFAOYSA-N 443.555 1.751 30 10 IDEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1749449115 IEGVHMOVXPCQOL-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1749756301 WHBSFFWAVOZHMH-HZPDHXFCSA-N 445.611 1.003 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(N)=O)c2)C1 1750377497 CQHFGRNVNOVZKN-OAQYLSRUSA-N 425.468 1.298 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)C1 1751282628 PEIRSNBUUAUJTM-JPYJTQIMSA-N 438.532 1.962 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1760195513 CXAQTBFAXBBKER-QHCPKHFHSA-N 429.565 1.502 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)Cc1ccccc1 1760204538 TYQJZOHMIREBLO-UHFFFAOYSA-N 433.537 1.952 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760262721 XUMMDPLCASMQEH-KRWDZBQOSA-N 431.537 1.198 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760279787 FPAXFXBJEMRWAH-QZTJIDSGSA-N 443.577 1.314 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760328578 YAHBGWVNDIONTO-NQIIRXRSSA-N 434.585 1.442 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1760523103 MHFSEIWEPLRTHW-UHFFFAOYSA-N 441.927 1.356 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cc(C)on1 1760526615 QTZZQZIJNWFFJX-UHFFFAOYSA-N 429.506 1.505 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760552526 RDMGPQMOEBENPG-UHFFFAOYSA-N 442.549 1.299 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760821282 KNLVSBXOKNSAFM-NRFANRHFSA-N 445.545 1.515 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1765103667 TWDPRVYOMDTLNQ-ISLYRVAYSA-N 426.525 1.862 30 10 IDEE CCOC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1765710065 BAWWDRNEXSXTCQ-VHEBQXMUSA-N 443.508 1.036 30 10 IDEE CCCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1765765154 FYRLVEJHZNPMEV-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@H]1CCCO1 1766335520 DRGYMNHZWMFLDR-GOSISDBHSA-N 442.520 1.935 30 10 IDEE CCO[C@]1(c2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1767424313 GTHRTILSVZQDKA-RURFIKTLSA-N 428.493 1.223 30 10 IDEE CCOCc1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767946785 OYBZEMQLXCIRDP-FMQUCBEESA-N 431.541 1.119 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)CC1 1768526070 CXQHOWZJVLEIAI-UHFFFAOYSA-N 443.577 1.383 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)C1 1769160310 ZRJYANYSETXGNS-HSZRJFAPSA-N 439.564 1.747 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(F)(F)F)C2)o1 1770740522 RRDRNJFLEOEAAQ-BXUZGUMPSA-N 445.423 1.461 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770918470 BJLMIOYQBTWNKM-SLNYWTKHSA-N 447.499 1.816 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1770962070 ZKCNUMCNUZMBHJ-VQTJNVASSA-N 443.504 1.386 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCCN(C3COC3)CC2)[C@H]1c1ccc(C#N)cc1 1849020218 MONOIZIQOPTOLC-FGZHOGPDSA-N 442.585 1.885 30 10 IDEE CN1CCCN(C(=O)CCON=C(N)c2nnn(-c3ccccc3)c2-c2ccncc2)CC1 1853444472 WUDJUGIHEADCAM-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CCC2=O)cc1 1855647868 FGUIDKORUHJMKR-SFHVURJKSA-N 429.542 1.838 30 10 IDEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3cccc4ccccc34)C(=O)C2)C1 1856838794 RZZZVXVVXRQZLV-KRWDZBQOSA-N 426.498 1.052 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@H]2C)cc1F 1857087645 TXQNVFXEVMYHNK-CYBMUJFWSA-N 431.445 1.768 30 10 IDEE CCOC(=O)N1CCN(C(=O)C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)cc2)CC1 1860634808 CWURYBAXZHACPE-FMIVXFBMSA-N 445.516 1.817 30 10 IDEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCNC=O)C2=O)cc1OC 1863160931 WYJLZFBZBLWVBN-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE C=CCOc1cn(CCN2CCOCC2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870809326 WIMNEVIRCLJZAA-UHFFFAOYSA-N 448.545 1.005 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCCCCCCO)sc2c1CCC2 1872649616 GNMXHUDGFVPENQ-UHFFFAOYSA-N 447.517 1.720 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873595946 ZIAREHXQMCYPBE-UHFFFAOYSA-N 436.516 1.367 30 10 IDEE Cc1cc(C#CCO)sc1CN(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2100767692 WNZGZCDTPMTMOB-UHFFFAOYSA-N 432.523 1.458 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141666726 AOPMMLCZXXNUOV-MRXNPFEDSA-N 446.357 1.918 30 10 IDEE COC(=O)[C@@H](CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)OC(C)(C)C 2141667765 MADGZXIZFHXEKB-CQSZACIVSA-N 449.313 1.776 30 10 IDEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)o1 2255849032 JOXQQLIZEVAKSC-UHFFFAOYSA-N 433.274 1.396 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)O 2256926312 ACXXFUKUDVLEGY-MRXNPFEDSA-N 428.298 1.024 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267008611 GUGRFADAWNKXKG-AAEUAGOBSA-N 444.263 1.391 30 10 IDEE Cn1cc(C(=O)NCCc2cnn(Cc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)n1 2267134036 JZDOUZVJGPJXBE-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2267274919 HEMNOONGWNSKDM-INIZCTEOSA-N 447.341 1.747 30 10 IDEE Cn1ncc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267509463 WITZQWVQTQHNMF-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2267588802 QYZDDKDSRKZFNJ-UHFFFAOYSA-N 447.297 1.185 30 10 IDEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267879679 KBHAESWHEUKAGS-NEPJUHHUSA-N 442.247 1.305 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2267879753 LBKNXIDRCHOEAH-RYUDHWBXSA-N 440.231 1.154 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320554778 ITUCPEVYDXLETN-TZMCWYRMSA-N 438.309 1.738 30 10 IDEE COc1cc(C=NNS(=O)(=O)c2ccc(Br)cc2)ccc1OCC(N)=O 12649428 JXUZHVUXPSRFQN-UHFFFAOYSA-N 442.291 1.634 30 10 IDEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)o1 20911153 QPRWSSTVNULLLN-NGYBGAFCSA-N 432.514 1.724 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 105288356 QRXRYKRXGYSQMO-SFHVURJKSA-N 445.479 1.691 30 10 IDEE Cc1ccc(C(=O)N(C)C2CCN(c3cnccn3)CC2)cc1S(=O)(=O)NCC#N 447664911 NRYNHVZOHYRGQS-UHFFFAOYSA-N 428.518 1.328 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cn1 462101512 LFGZJILOLBZSKA-UHFFFAOYSA-N 444.499 1.605 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 462598092 ZWFSNCDDIWDPTG-SFHVURJKSA-N 435.546 1.395 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)n1cnc(C#N)n1 466933038 FGTISOYBNJSWMM-NSHDSACASA-N 426.861 1.036 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)cc2)CC1 468245731 QSQJYFDCOSLOTA-HXUWFJFHSA-N 441.509 1.873 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 489234154 IDWPPDWAWNZQQF-OAQYLSRUSA-N 448.523 1.851 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)nc1 501370692 IEZVSEFPXWOVBJ-MRXNPFEDSA-N 431.543 1.517 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 502773070 IVEVDHJSAZWQTA-INIZCTEOSA-N 428.514 1.900 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN([C@@H](C)C(=O)Nc4ccccc4C#N)CC3)C2=O)n(C)n1 506576431 JPQLVFDUUVPVJS-GHTZIAJQSA-N 449.559 1.740 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 508825841 GPAUEFQYCWUDLO-INIZCTEOSA-N 427.571 1.581 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(CC)s2)CC1 508940663 ZCEWQCXGSBDWKO-ZDUSSCGKSA-N 425.584 1.420 30 10 IDEE CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 510444336 NRJIHEWMNOTENL-UHFFFAOYSA-N 436.353 1.271 30 10 IDEE Cn1c(=O)nc(O)c2c(C(=O)NC3(C#N)CCCC3)cc(-c3ccc4c(c3)OCO4)nc21 511113667 FCZKCEOUQTVRAA-UHFFFAOYSA-N 433.424 1.996 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](C(=O)C4CC4)C3)CC2)cc1 513718257 JYGMUVQJBGNPEL-LJQANCHMSA-N 431.514 1.165 30 10 IDEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 516196603 AWWARXVWDCSTNJ-UHFFFAOYSA-N 426.565 1.638 30 10 IDEE C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)C(C)C 516669602 XKSGTOUHIWRDJB-RTWAWAEBSA-N 426.561 1.891 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)ccc1F 517156018 GFRNSAAAZRKGIO-MRXNPFEDSA-N 427.501 1.318 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC(F)F)c(OCC)c2)CC1 522317896 GKPXSIYOAZISKT-UHFFFAOYSA-N 426.464 1.816 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2cccc(C#N)c2)c1 533687355 ZDOPRBFQGMEVGI-UHFFFAOYSA-N 428.514 1.826 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598605 NWBZVTGPTUGAKS-UHFFFAOYSA-N 427.526 1.531 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2OC)c(=O)n1C1CC1 543771160 QJXHSXFZLILOOU-UHFFFAOYSA-N 434.315 1.265 30 10 IDEE COCCNC(=O)CSc1ccccc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 544834800 OCQQJMITBVFUMW-UHFFFAOYSA-N 439.541 1.770 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](c3ccnc(N)n3)C2)CC1 548931248 RIGMMHUDTABKQO-WMZOPIPTSA-N 425.562 1.709 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 549504279 BVGYXMBPWRBZRQ-UTKZUKDTSA-N 449.559 1.785 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NCc2ccco2)nc1C 586304455 PHFOIZMHLSAKPW-MUUNZHRXSA-N 425.488 1.391 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CC1 604077685 VDDMICSXDLJYCP-UHFFFAOYSA-N 448.527 1.685 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H]3C(=O)NC)nnc12 613786746 IOQLNPVMXAVDEL-OAHLLOKOSA-N 426.502 1.059 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC1 643131301 YIIRNZBSJGBPSQ-UHFFFAOYSA-N 426.542 1.738 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3nn(CC)c(=O)cc3C2)cc1 674556372 MNUGBHQNMWAXEE-UHFFFAOYSA-N 431.518 1.660 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 729332446 XWWTXRXUQYDCPV-IBGZPJMESA-N 446.550 1.428 30 10 IDEE COc1cc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OCC(F)(F)F 732443721 CUIMJAFNLRDIAP-WUKNDPDISA-N 442.394 1.962 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 744144556 PDSLWZISTVAZSV-LBPRGKRZSA-N 445.526 1.747 30 10 IDEE Cc1cc(N2CC[C@H](OC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2=O)n(C)n1 744898365 GJGBVVIRAJNFNK-KRWDZBQOSA-N 430.486 1.768 30 10 IDEE CCOc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)c1 751930020 SKXHVLDBXHDOOY-RHSMWYFYSA-N 449.577 1.219 30 10 IDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760771766 GOLYQNZLQXCZKM-HSZRJFAPSA-N 432.484 1.378 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(C[C@@H]3CCCO3)c2=O)cn1 764977330 NUFCLHAMVDQFJJ-IBGZPJMESA-N 448.548 2.000 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)cn1 772305192 YAWDUZOPKZGYRC-UHFFFAOYSA-N 427.489 1.940 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 773341133 RWSOGZZJTKFRDR-QFIPXVFZSA-N 438.572 1.582 30 10 IDEE C#CCN(C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774165870 XDPHZJDNZGJRBU-AWEZNQCLSA-N 434.436 1.968 30 10 IDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)c2)CC1 780863249 ULLKVDHTMBVOCZ-FQEVSTJZSA-N 428.514 1.557 30 10 IDEE COc1nc(N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)ncc1Br 780960132 LXSHUXZCWCQLCO-OAHLLOKOSA-N 432.278 1.502 30 10 IDEE Cn1ncc(Br)c1/C=C\C(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 782307776 ZXAYVTBAXHZLRH-SREVYHEPSA-N 428.264 1.442 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 783545171 MFZSTWYSHUFLEJ-GFCCVEGCSA-N 438.365 1.576 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1C#N 788023158 AXLPKXLSOKVMCH-UHFFFAOYSA-N 439.491 1.261 30 10 IDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)cc1C#N 797384386 NRUWCMOWZGKXBV-NRFANRHFSA-N 430.461 1.862 30 10 IDEE CCOc1ccccc1CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 799584552 GVEGXBJXZDHATI-NFFVOIMASA-N 441.532 1.827 30 10 IDEE C#C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1ccc(F)cc1 812950193 AHVMBOZYOXIBMP-QGZVFWFLSA-N 437.431 1.815 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCCc2cnn(C)n2)C1=O 814711593 OIDNEQORTHARTD-INIZCTEOSA-N 449.606 1.509 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 816291961 TXYRQEBVIVWXJR-UHFFFAOYSA-N 438.937 1.713 30 10 IDEE C[C@H](Sc1ncccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCC1 1116030990 CIJPSQUIYCRAES-HMWBCQRISA-N 443.529 1.441 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCC(=O)N2CCC(O)CC2)n1 1136554159 LHPNYAOEGUIWQJ-UHFFFAOYSA-N 436.563 1.502 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)s1 1160265408 AYGCZMKFEGZBFU-UHFFFAOYSA-N 429.564 1.833 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 1163990029 KVUFBQLDMMTWSL-UHFFFAOYSA-N 431.474 1.158 30 10 IDEE C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 1254389804 DECICSSSFRWNLB-MRXNPFEDSA-N 427.530 1.992 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1286299384 VJVUNNSLEIHWHT-JKSUJKDBSA-N 425.518 1.267 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1286381351 GFCQAIGCSOMOER-UTKZUKDTSA-N 448.545 1.587 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286383691 YXSUOASTYSQYQD-CUWPLCDZSA-N 440.548 1.740 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286389550 MHZDVDLRYLGRJM-KRWDZBQOSA-N 430.530 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2nncn2CC)CC1 1286494463 PJGUQQIPZMSVSB-UHFFFAOYSA-N 438.561 1.556 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCNS(C)(=O)=O 1286742878 WJCHCPVPXUMPNJ-UHFFFAOYSA-N 425.518 1.887 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)N2CCOCC2)C1 1286805395 SDDJDWPCMDZKDP-LJQANCHMSA-N 427.505 1.594 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC(C)(C)C1 1286814111 KHHGEFFRGNRLNK-UHFFFAOYSA-N 434.522 1.141 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286822436 KCOQBVDSQIIOPZ-QFIPXVFZSA-N 445.589 1.627 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286967214 FMHGCAJHUBUCIT-AZUAARDMSA-N 438.580 1.802 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1288520446 UJSUYNMOVMGMOK-KGLIPLIRSA-N 449.537 1.026 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290128426 MQAGGDFSLIFXBW-VFOOBRQFSA-N 449.515 1.482 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1292889538 DNXBSVZRDLEADM-LJQANCHMSA-N 434.581 1.697 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(c4ncns4)CC3)C2)C1 1298234070 JZJCMJNSUGOXNN-CHWWFWEZSA-N 432.550 1.974 30 10 IDEE C[C@H](NC(=O)CCC(=O)N[C@@H]1CCN(O)C1=O)C(=O)c1ccc(Br)cc1 1298424799 GKDGGIKNNXVKFW-GXFFZTMASA-N 426.267 1.023 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@]34COC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1C#N 1298722393 NDFNVHPYYVUREW-QVKFZJNVSA-N 447.561 1.855 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300481884 CDYQABJMIATAKN-SFHVURJKSA-N 447.536 1.237 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300484558 UCMZKXMSKSFQNZ-QGZVFWFLSA-N 443.533 1.235 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300484596 QRBRIVFZHMFTDL-RDJZCZTQSA-N 439.582 1.716 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1300501112 HBDJRQFPXKVMTR-KRWDZBQOSA-N 431.566 1.297 30 10 IDEE COc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(C)=O 1300571750 DKIXSWCNQZODIK-FQEVSTJZSA-N 437.548 1.580 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300892629 UTSJNTMKCOFVTJ-VWPQPMDRSA-N 440.548 1.586 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1300896141 ZHDCMNYIDXFKLT-IWQHBPENSA-N 436.553 1.763 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1300991069 OZMDTMAYXAOFOC-QZTJIDSGSA-N 441.598 1.829 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301064670 ZJCUXSUZJZNURH-ZZEZOPTASA-N 448.487 1.608 30 10 IDEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1301249039 OLCVHQIPCPVLOA-HXUWFJFHSA-N 438.532 1.981 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1301327152 NCEYNFYBYHUKLQ-GOEBONIOSA-N 428.580 1.302 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC 1301373489 WSJBGTGHMUJQOD-UHFFFAOYSA-N 443.371 1.774 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1301967680 FPPAZLNRMYAQBB-YLJYHZDGSA-N 442.589 1.834 30 10 IDEE CC(C)[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302748758 ZYHPDSIFRQGWGD-MXLIYFDZSA-N 441.536 1.523 30 10 IDEE Cc1ccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C 1304364236 NOSPXCXDOIALSC-YADHBBJMSA-N 444.511 1.816 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1310158877 WNLPFGNWJTURKA-QGZVFWFLSA-N 425.482 1.397 30 10 IDEE C#C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1 1312936824 LUHRQSHMVRHGCS-HNNXBMFYSA-N 428.246 1.524 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1313925923 BXLHUZDRLRIMER-UNMCSNQZSA-N 437.592 1.818 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncn(Cc2cccnc2)n1 1320976064 PXOWFCBFKZIDAQ-UHFFFAOYSA-N 425.474 1.179 30 10 IDEE CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c(C#N)cn1CCOC 1355035411 CSGJHBWBYCRINM-VNQPRFMTSA-N 432.477 1.988 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1358890126 LMIQSEAYAATFEM-SWLSCSKDSA-N 438.579 1.191 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1358962468 QIXHJEVPGVVLFP-MSOLQXFVSA-N 429.546 1.551 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCCOC)CC1 1359035867 HBYWUXDDJBBWJJ-NRFANRHFSA-N 441.532 1.599 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(OC)C2CC2)CC1 1359038120 LCBNOBYFHYFIAZ-JOCHJYFZSA-N 442.589 1.840 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359055507 GGQYLIOZCGVKBG-HUUCEWRRSA-N 434.566 1.699 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359136799 VCYLXYUAZFVXKK-PGRDOPGGSA-N 435.569 1.874 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359187145 CVYWUERFFHHKND-GJZGRUSLSA-N 441.540 1.363 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1359283545 ZMLVSXLLQQTIGX-MAUKXSAKSA-N 435.550 1.878 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359295358 YVLSWAXLGZLWCB-GOSISDBHSA-N 434.504 1.159 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2ccc(Br)cn2)cc1 1455728557 INAQFNQMRPIXGA-UHFFFAOYSA-N 438.303 1.921 30 10 IDEE N#Cc1ccccc1Oc1ccc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1Cl 1456176119 QZAKVETXXIHLKG-HNNXBMFYSA-N 432.889 1.978 30 10 IDEE COc1ccc2c(c1)C(=O)N(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)C2=O 1459168908 YWQRHFPJCZLTFE-FQEVSTJZSA-N 436.443 1.839 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)(F)F 1478404037 OVVBINPHFQQFNI-NRUYLEAOSA-N 436.431 1.888 30 10 IDEE CC(C)(C)OC(=O)NCCCCCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1478862918 YUFYCWMOHGGYNI-KXBFYZLASA-N 428.555 1.651 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1 1479312945 KRNHIUUCSYPQPF-KRWDZBQOSA-N 449.533 1.017 30 10 IDEE CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1502841019 DRHXYSRCJXQYMR-WMLDXEAASA-N 434.522 1.064 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1504812700 HFVYKRWMYJOONI-UHFFFAOYSA-N 432.550 1.020 30 10 IDEE COCCOc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1505010869 BJZXHMWLVXPDIT-GOSISDBHSA-N 442.520 1.527 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1507715552 CVJGUAAKNRSCQJ-RBUKOAKNSA-N 437.548 1.886 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)c1cc[nH]n1 1507765102 XYJMACPJMBJYIO-OAQYLSRUSA-N 434.460 1.999 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC)C1 1507777712 AQXSHZUROSKGSK-OLZOCXBDSA-N 436.376 1.802 30 10 IDEE C=C(Br)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1507792017 CSZLGZOFTHEEEF-CJNGLKHVSA-N 449.371 1.462 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1)C1CC1 1507994110 WVNYCFXLIOWMGS-MRXNPFEDSA-N 425.555 1.071 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 1508089744 FWFMIFIUFRNHIM-CQSZACIVSA-N 439.488 1.397 30 10 IDEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1516705392 SOOONMNKGGMRIS-GOSISDBHSA-N 439.520 1.711 30 10 IDEE CCOC(=O)c1c(NC(=O)C2CCC(S(C)(=O)=O)CC2)c(C#N)cn1CCOC 1533739736 XWNMCGPALCQVHY-UHFFFAOYSA-N 425.507 1.725 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2cncs2)C(=O)OC)ccc1F 1534111913 GNIYENBWIWHXAV-CQSZACIVSA-N 427.479 1.261 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(Br)cnc3Br)C[C@H]1CS(=O)(=O)C2 1538309613 DNKPFCJCYDCGHV-SDBXPKJASA-N 449.124 1.617 30 10 IDEE C[C@H](C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1538498068 SIULIGRTHDVKHJ-UGFHNGPFSA-N 438.385 1.913 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(=O)NCC=C)c1 1539044108 YJEVJZJVNWCVCZ-UHFFFAOYSA-N 443.511 1.622 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539221572 QCBDLKPKQCBFLR-OALUTQOASA-N 444.557 1.796 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCCC1 1539395244 AXJLKTMUXJATGE-UHFFFAOYSA-N 425.537 1.886 30 10 IDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1539759127 DLEFTLRYQPEKRR-UHFFFAOYSA-N 438.532 1.698 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O 1540471426 YZEYYNGWTTWNHI-PMACEKPBSA-N 440.544 1.976 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540875575 QDRJTBZSALTWPI-INIZCTEOSA-N 442.520 1.225 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1540876743 ZJBAPQJFNYZJGI-YQVWRLOYSA-N 432.569 1.020 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1540908626 ZXTZZCAENVZWOV-INIZCTEOSA-N 433.582 1.474 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)c2cnc(C)cn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367933 XFMIBNKAJBTOIN-QGZVFWFLSA-N 432.406 1.753 30 10 IDEE COC1(C)CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554704961 YMARICOCWKQELZ-FMQUCBEESA-N 440.479 1.760 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1554796994 RBXRPZMYGAAFSR-QFBILLFUSA-N 429.477 1.497 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1555606204 MTCNDSOZFNUTEJ-QGZVFWFLSA-N 439.564 1.746 30 10 IDEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2 1556538766 GPZFUVWSCKZPRN-CVEARBPZSA-N 441.919 1.736 30 10 IDEE CN1C(=O)NCC12CCN(C(=O)C1CN(c3ccc(Br)cc3C#N)C1)CC2 1557152262 PQCPHXUTSMIJCQ-UHFFFAOYSA-N 432.322 1.773 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cc3ccccn3)ccc2C)CC1 1562696916 AJSUPMDGWJAPDC-UHFFFAOYSA-N 427.530 1.598 30 10 IDEE COC(=O)C[C@H](C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1587763701 QSYQVQDEICIAHX-PDIVGGKMSA-N 448.564 1.869 30 10 IDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1588050801 VCHUXPMDQZJAPV-OAHLLOKOSA-N 440.529 1.189 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588059139 JIOGQLCUXPEFFQ-QGZVFWFLSA-N 438.594 1.425 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3OC)cc2)CC1 1588198827 AFOVFPSIMADWFL-UHFFFAOYSA-N 428.514 1.664 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1588224374 XMCNLLNPPOZNTF-FGZHOGPDSA-N 446.555 1.593 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1593736275 YWOSOBZCZRQVHE-ICSRJNTNSA-N 427.553 1.875 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595545398 XGMMAAAPMDDKLI-QGZVFWFLSA-N 429.525 1.005 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595871149 IDAVVYHKBHPCIC-OKZBNKHCSA-N 434.610 1.695 30 10 IDEE COC(=O)c1cnc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1596291958 YISRBSCAAJUFCK-UHFFFAOYSA-N 448.526 1.518 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1597985051 DYGJELUFMDVFRJ-WMLDXEAASA-N 425.493 1.483 30 10 IDEE CS(=O)(=O)Nc1ccccc1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648732 HFFUHFJEGALNTO-UHFFFAOYSA-N 431.470 1.505 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)C1 1611765048 DETPCIBQHHHMAB-HXUWFJFHSA-N 434.566 1.469 30 10 IDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(Cc3ccsc3)CC2)C1=O 1613514953 GLSKUAABCVXVCB-JOCHJYFZSA-N 437.525 1.731 30 10 IDEE CCN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1615089845 DYALWTNOEOOREI-CQSZACIVSA-N 431.928 1.936 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 1615098509 RXQANLQKIQHMMY-MRXNPFEDSA-N 441.918 1.403 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1618815079 AYJPMQGSEPPJDU-KRWDZBQOSA-N 441.536 1.022 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 1620485170 XXBGAXBHKUSWIW-NEPJUHHUSA-N 425.532 1.098 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cc3ncc(Br)cn3n2)C1 1624812854 ALTPXZLQUIWGHA-GWCFXTLKSA-N 435.282 1.981 30 10 IDEE C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)Cn1cc(C#N)c(O)nc1=O 1625533746 YBTFVBYYWGXTNF-CHWSQXEVSA-N 435.406 1.965 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)CCS2(=O)=O 1627429626 GGBOGILKRMXCOW-XZSJUEPFSA-N 436.505 1.990 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 1630655924 RVCUYUGBVDMTRO-APWZRJJASA-N 442.560 1.948 30 10 IDEE C#CCCN1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1631719610 JCOMNCFBIXJXPY-UHFFFAOYSA-N 431.334 1.688 30 10 IDEE Cn1cc(N2C[C@H](C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)CC2=O)cn1 1634568569 ARMHSUSMHAUBMU-APWZRJJASA-N 426.908 1.835 30 10 IDEE C[C@H](CC(=O)NC[C@@H]1CC(=O)c2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 1635840184 BTHRUROQCABEGJ-KGLIPLIRSA-N 427.482 1.654 30 10 IDEE COC(=O)C1([C@]2(O)CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)CCC1 1639510522 OZDCAWRDYKSXED-FQEVSTJZSA-N 438.477 1.433 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 1640844371 CORSPHXRHVWCAU-PMPSAXMXSA-N 440.525 1.708 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)C1 1642078745 WQSBZYBOONAFFX-FNKIUMDLSA-N 446.548 1.669 30 10 IDEE CN(C)CC#CCNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1642510350 RFMAGGRRAGIRMU-QFIPXVFZSA-N 448.523 1.450 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccncc1)C1(CO)CCC1 1646565188 CQYQBYARCKAMBW-FQEVSTJZSA-N 442.541 1.920 30 10 IDEE C#CC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 1659571356 SJLAAWIAQCOSFJ-UHFFFAOYSA-N 441.553 1.906 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C#N)C1 1660309424 DTBKBGUXRUOGEI-YRVVQQKDSA-N 432.571 1.943 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)C[C@H]1CS(=O)(=O)C2 1680330792 DTSITQSIECRDKN-PMUMKWKESA-N 442.463 1.864 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1685113213 FQZWAZBFMGWLPB-OAQYLSRUSA-N 449.511 1.416 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689989444 FPAVPEZQVVVGHH-IIBYNOLFSA-N 434.562 1.994 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1690109105 GYYMGYSERDIUJP-SFHVURJKSA-N 425.537 1.553 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690229619 ZVDJUOGLZVIIMN-GFCCVEGCSA-N 439.314 1.211 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](COCC)C1 1690665545 HMKJTPYTUQMGQL-MRXNPFEDSA-N 437.508 1.086 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690678310 RRSKXJRKALORNB-SCTDSRPQSA-N 433.553 1.436 30 10 IDEE CCc1cnc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)s1 1694557949 JAOROEZKXOGSOM-MPGHIAIKSA-N 432.550 1.992 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2OCCC2(C)C)CC1=O 1698087624 IEXRGOUZFJMZHS-IBGZPJMESA-N 438.532 1.927 30 10 IDEE N#CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(F)F)CC1 1698490727 ZODBPUNHXFOZGV-UHFFFAOYSA-N 429.435 1.942 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1705647841 MTJNTLLDSMBGLV-MSOLQXFVSA-N 437.548 1.906 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCC2)CC1 1705649514 APTCFFCCCMRQQJ-UHFFFAOYSA-N 437.544 1.758 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1705700750 XYHQCSYWLWLEPA-AEFFLSMTSA-N 434.566 1.615 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1705763381 UPEUUYSMNHOHAP-TXPKVOOTSA-N 425.555 1.383 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1705878423 OVJPCKIDHGNPRP-UGKGYDQZSA-N 446.573 1.567 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705903529 XOELKWYFRYBHTD-CVEARBPZSA-N 445.524 1.906 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1711472713 ROKGXIUHZKLYMO-UHFFFAOYSA-N 430.534 1.821 30 10 IDEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1712878706 JHNPMSRQPUDUNV-NRFANRHFSA-N 445.545 1.108 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCC1 1722279446 TYUGXOUANMIOQU-MRXNPFEDSA-N 431.562 1.958 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722308340 KYSVSCCAYXBCGY-NVXWUHKLSA-N 433.582 1.939 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCCS1(=O)=O 1722346677 VLNYJASIPQGWNV-KRWDZBQOSA-N 436.559 1.385 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1722363668 GWMODTRSYKOQKG-YJBOKZPZSA-N 428.942 1.309 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722433178 OERRRTCCKQMEGD-JOCHJYFZSA-N 444.486 1.780 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncc(CC)s2)CC1 1722440330 CUFDPTIDETVAOS-UHFFFAOYSA-N 443.577 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1722444804 OIJSVSLLPSNZHQ-UHFFFAOYSA-N 436.438 1.937 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1722532285 HPKYFNSXXPEVDC-LJQANCHMSA-N 438.532 1.984 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722555426 KRGUVXSCQYPHHA-UONOGXRCSA-N 433.962 1.225 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722684898 AASGMCFDSJZWOG-KFWWJZLASA-N 448.524 1.165 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722701823 FUKFUTGWFNTYQE-HZPDHXFCSA-N 444.561 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722729049 DGUPGVORSTZZLS-ROUUACIJSA-N 444.561 1.112 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C#N 1722729206 YBVSWVPMUAJTIP-YJBOKZPZSA-N 431.518 1.987 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C)C1 1722731982 SLAMQXMVDAQKAS-INIZCTEOSA-N 436.534 1.692 30 10 IDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1726748962 BHWKMTLTUORFCV-INIZCTEOSA-N 449.533 1.015 30 10 IDEE CCOC(=O)N(C)C1CCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1728692946 ANECDTFZHPPHFC-HNENSFHCSA-N 445.524 1.424 30 10 IDEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1730354460 ALFHKUHBQUHKOV-PWRODBHTSA-N 438.532 1.973 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(F)c1 1730955724 MCBVNOGQUJHBQB-IPELMVKDSA-N 431.468 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1740647533 VMWHVXYURWKLIZ-HSZRJFAPSA-N 429.565 1.504 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CC1 1740695762 CMKOQABSFNKZJC-OAQYLSRUSA-N 436.560 1.634 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1740697569 JRYMTPXYYCUTHA-KSFYIVLOSA-N 447.486 1.842 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C(C)C)CC1 1740697774 LRQTYNMQQWTFFA-QFIPXVFZSA-N 445.589 1.511 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)COC)CC1 1740709852 MLLIQJCAXFVLKN-NEWSRXKRSA-N 433.553 1.250 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740952116 VIMHFYZWAJDUJD-OCCSQVGLSA-N 446.524 1.062 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1740955217 YVXPGSWEXCGAGH-UHFFFAOYSA-N 435.532 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC#N 1740993293 WHYFCLKYSSKUFG-INIZCTEOSA-N 427.534 1.856 30 10 IDEE CC(C)N(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1741604374 BNNIKGHGOGJLGQ-SFHVURJKSA-N 446.577 1.808 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1=O 1748044577 CEEVBKDKXKJEJT-OAQYLSRUSA-N 442.545 1.308 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccc(OC)cc2)CC1 1748989846 CXLBSVTTXZYAPN-FQEVSTJZSA-N 438.532 1.462 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1749051618 JZSORHONTRTFBW-HSZRJFAPSA-N 437.548 1.688 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749266732 KVPAZRNWJRRLKM-KBPBESRZSA-N 431.946 1.012 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1749426855 JCGHBAJFLJINNS-PXNSSMCTSA-N 439.582 1.584 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@H]2C(C)C)C1 1749697778 NJSHCTRJIJQPDJ-FJIDUMEYSA-N 441.598 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749729789 SBOZEEKROKFMMZ-DOTOQJQBSA-N 430.534 1.188 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1750204484 DFIMHYRBKLCMQJ-AWEZNQCLSA-N 429.424 1.629 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1750518586 CPEBJNOTULXYCB-MUUNZHRXSA-N 435.575 1.599 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1751006026 BYONLIMPIOGEMV-MGPUTAFESA-N 430.513 1.210 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1760187551 KBRNQGQATKKIDI-OALUTQOASA-N 436.578 1.963 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1760188008 YVAIPCBKZZGDGI-INIZCTEOSA-N 448.545 1.541 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1760219632 JQAFGWUGXCMUBJ-HXUWFJFHSA-N 448.589 1.476 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1760251643 FLFFSVBVCGMSCO-FQEVSTJZSA-N 437.592 1.692 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2ccnc21 1760465036 VIVVEHBEQKHTMH-HOTGVXAUSA-N 435.554 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1760556712 NQIGBPSPRBMYBQ-MRXNPFEDSA-N 449.552 1.666 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1760648710 IADDMCFTSKMPLW-UHFFFAOYSA-N 435.532 1.967 30 10 IDEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1761312644 ZXQKCDYWRYVCOP-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764685120 OQNIXBHXSPLNPS-UHFFFAOYSA-N 447.499 1.967 30 10 IDEE CN(C)CC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766940957 UPRGXGLHTLJYEE-HNNXBMFYSA-N 425.537 1.905 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccn(CC)c1=O 1767864396 SKZSJNSMLRXIGR-UHFFFAOYSA-N 435.488 1.579 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCNC(C)=O 1767934454 DNYKYICBCLXRRS-UHFFFAOYSA-N 429.500 1.678 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1768586154 APJHYNXZVRVUBA-UHFFFAOYSA-N 431.456 1.625 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)C1 1770344659 URUFXINWVZRBAF-ROUUACIJSA-N 436.582 1.584 30 10 IDEE N#Cc1cccc(OCC2CCN(C(=O)Cn3nc(-c4ccncc4)ccc3=O)CC2)n1 1849407714 OCZJYCKWSRQNAY-UHFFFAOYSA-N 430.468 1.890 30 10 IDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)OC[C@H]2CCNC(=O)CO2)CC1 1850862264 PWWLMDBOXWBXGJ-QGZVFWFLSA-N 426.448 1.910 30 10 IDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1853744407 DEMDHJIMVLPOLA-VQTJNVASSA-N 431.558 1.906 30 10 IDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@H](CO)C(=O)Nc2ccc(O)cc2)CC1 1866867488 PHRZUFNSAYAVTD-MSOLQXFVSA-N 428.514 1.846 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1OC 1870142028 WRXLHVWHCIQJMQ-UHFFFAOYSA-N 432.396 1.391 30 10 IDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873560938 CFKABOQXHBZUHJ-IYBDPMFKSA-N 426.521 1.535 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661090 HXAPFYKGPLTUAA-UHFFFAOYSA-N 446.515 1.860 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874338364 RJCFRFFWECRLDZ-NXSNIQIJSA-N 431.478 1.370 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)cc1OC 1874435750 VJJXRJHVPRBRMN-UFFVCSGVSA-N 435.506 1.859 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cncc(N4CCCC4)c3)CC2)CC1 1889461989 RGJMEUANODFZDA-UHFFFAOYSA-N 439.604 1.944 30 10 IDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 1891665368 SMMBMQMJPIMWRN-INIZCTEOSA-N 429.502 1.719 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](O)C1 2197488295 KJJIRTITKWTYDW-RDTXWAMCSA-N 440.294 1.992 30 10 IDEE CON(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243667499 IDBKUQLIVOENTD-UHFFFAOYSA-N 427.332 1.857 30 10 IDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243675853 BIBZDEBSIPHSJA-NSHDSACASA-N 426.348 1.701 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825876 HAZGUGQNMLGKEQ-YDHLFZDLSA-N 432.330 1.694 30 10 IDEE CON(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255831201 RMXFWOLGSSCFPG-CYBMUJFWSA-N 436.318 1.722 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)c2)OC1(C)C 2255863387 NHCYDBKERPDFPA-UHFFFAOYSA-N 429.248 1.845 30 10 IDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2256067295 NHCHKIUHQMOBET-CHWSQXEVSA-N 430.314 1.371 30 10 IDEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267133493 CNMHCDDEZFFPPB-NQBHXWOUSA-N 444.263 1.627 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1 2267148968 GVIKWVATXISMHR-FPTDNZKUSA-N 446.357 1.941 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)COC1 2267478962 FUHRIRDWCQBFJZ-UHFFFAOYSA-N 447.341 1.652 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267480287 XOAMNVKYTQWWFY-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE CCn1cc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267492208 PLKFEZNOGGGOJC-FOLVSLTJSA-N 446.357 1.797 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267588008 FXAFOVOPJYVPLE-QFIPXVFZSA-N 447.341 1.483 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267873452 PQMVQEURUWYDKZ-BJCXIENYSA-N 444.341 1.951 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268788623 FFPHVDUWDHRESQ-CQSZACIVSA-N 448.329 1.478 30 10 IDEE N#Cc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 11796441 FBWYLHYNAMUSCK-UHFFFAOYSA-N 430.505 1.969 30 10 IDEE Cc1cc(C)nc(N/C(=N\C(=S)NC[C@H]2CCCO2)NCCCN2CCOCC2)n1 14158419 AKZYUISONBBVDY-QGZVFWFLSA-N 435.598 1.227 30 10 IDEE CC1(C)NC(=O)N(CC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1=O 21744838 ZJFIZXPZKBWEPG-UHFFFAOYSA-N 425.363 1.047 30 10 IDEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(=O)N[C@@H](C)CC)nc12 35481490 WVDDKYOXFOPPLZ-AWEZNQCLSA-N 440.504 1.050 30 10 IDEE C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O 35969017 KNDRSHOMWOGGGD-QFIPXVFZSA-N 449.486 1.928 30 10 IDEE CCOC(=O)CSc1nnc(N)n1[C@@H](C)C(=O)Nc1c(C#N)cnn1-c1ccccc1 40174118 DDKDPBLSCSFGQR-LBPRGKRZSA-N 440.489 1.773 30 10 IDEE CCCNC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@@H]2CCCO2)CC1 46022163 LXZHXYVABTZGPU-IBGZPJMESA-N 431.537 1.285 30 10 IDEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccn3)n[nH]2)c([N+](=O)[O-])cc1O 59039949 JUYWYZSFSBJYJX-UFWORHAWSA-N 444.433 1.999 30 10 IDEE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=N\NC(N)=S)c3ccccc32)cc1 72414974 UYSUMSKQEWJNMK-QJOMJCCJSA-N 425.470 1.386 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 102742404 SCQJULVQQSIOJD-LAFOYAEKSA-N 428.464 1.920 30 10 IDEE C[C@@H]1Cc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc2N1S(C)(=O)=O 105286717 NWRHNNBXXIANDY-OAHLLOKOSA-N 425.514 1.626 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC3CCC(C#N)CC3)c2)CC1 441145755 MFFJFQGJVIQIIT-UHFFFAOYSA-N 432.546 1.599 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@@H]1CCCO1 447005307 GQVCJIHTSYQGPX-INIZCTEOSA-N 437.521 1.863 30 10 IDEE COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 489611246 AHIBTQOINCYVMN-UHFFFAOYSA-N 430.486 1.397 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(N(C)C)ccc2Br)CC1 500833781 PHMLLYIXVDCAPL-UHFFFAOYSA-N 445.383 1.124 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(-c2ccc(F)cc2)c1=O 502059327 WREXYWMYJIAYSI-UHFFFAOYSA-N 446.467 1.308 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 504079655 VZZQVMPVLKATRM-HXUWFJFHSA-N 436.534 1.244 30 10 IDEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508866375 ZRZBHNZKGSVQCD-UHFFFAOYSA-N 438.517 1.247 30 10 IDEE C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1C[C@H]2CC[C@H]1C2 510312645 AQPKYCJJSSBZGE-DOADOZAASA-N 430.574 1.805 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 511009941 HMCSYHVNVDSMRO-UHFFFAOYSA-N 442.564 1.885 30 10 IDEE C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533272971 VRZUEQVDHZAJIZ-CABCVRRESA-N 426.477 1.041 30 10 IDEE COc1ccnc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)n1 537162093 LNKPBRPQWOXHPU-QGZVFWFLSA-N 441.561 1.078 30 10 IDEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1ccnc1C#N 539998773 KNATUZMNLREUOM-UHFFFAOYSA-N 446.533 1.261 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)CC1 569042169 WIYBBLDDMXGMRS-UHFFFAOYSA-N 442.608 1.137 30 10 IDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)ccc1C#N 570250503 BEOWJRAIDBNLJQ-SFHVURJKSA-N 429.498 1.954 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C 590943553 NPQDIZOQQUQKMW-HNNXBMFYSA-N 439.562 1.923 30 10 IDEE COc1ccc(C(=O)NCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1 603593755 FWQPKLXLNHVLPX-UHFFFAOYSA-N 432.484 1.814 30 10 IDEE CN(C)CCNC(=O)c1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 608992202 ZQUFCKWEBVNORO-UHFFFAOYSA-N 435.532 1.276 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCc4ccccc4[C@@H]3C(N)=O)C2=O)cc1 609609960 GLCVQOLMBUGEEH-UYAOXDASSA-N 431.452 1.375 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670229904 KZYMPXXLZGTHQC-PKOBYXMFSA-N 429.569 1.079 30 10 IDEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cc1 730136793 AVPRLRLRJDEERV-SFHVURJKSA-N 445.589 1.527 30 10 IDEE N#C[C@@H]1CN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CCN1C1CC1 732648860 KCCUGVFBQZDWFC-OAHLLOKOSA-N 448.453 1.558 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCCCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1C1CC1 732650412 QMMIPNXMYJZYBV-FGZHOGPDSA-N 440.592 1.725 30 10 IDEE Cc1ccc(O[C@H](C)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c(C)c1 742408630 MVMWFHWGYZDXNC-QGZVFWFLSA-N 442.541 1.939 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 742501795 ZNDGWMKYVQKDTP-UHFFFAOYSA-N 428.411 1.857 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2-c2cccs2)c1=O 769647871 SWVOSZVVUDGSQY-UHFFFAOYSA-N 434.546 1.877 30 10 IDEE N#C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)CCN1C1CC1 772449315 WKAVIMSAEPQBPN-KRWDZBQOSA-N 429.502 1.962 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 779933150 GATZRBKLWJLLLZ-INIZCTEOSA-N 441.472 1.926 30 10 IDEE N#Cc1cnn2c(O)cc(COC(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)nc12 782675813 BEYGXLIDISFKKI-UHFFFAOYSA-N 426.332 1.957 30 10 IDEE C#CCN1CCN(C(=O)CN[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 795193938 WLXRNJWYFQOZMC-ZJSXRUAMSA-N 437.515 1.944 30 10 IDEE CCCc1occc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 798713138 CCQKQVUPZGQRSM-UHFFFAOYSA-N 445.497 1.794 30 10 IDEE C#CC[C@]1(C(=O)N2CCC(CNS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 804328445 JFZJGIBDQDOUJP-HXUWFJFHSA-N 427.567 1.567 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 805782773 OVMNIOPQWDYKCO-KRWDZBQOSA-N 430.486 1.807 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 807931464 GGJJXEBHUNJWGR-SWLSCSKDSA-N 427.523 1.718 30 10 IDEE C#CC[C@]1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 809572255 JRNKJDMZZVFOAT-FDDCHVKYSA-N 433.549 1.877 30 10 IDEE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 810352545 REAALIXKXVJZQY-LJQANCHMSA-N 442.497 1.475 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC 812160105 XZJYARJXOMOWMQ-SFHVURJKSA-N 435.550 1.450 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 813540783 QTPJEWMLVNZTOV-UHFFFAOYSA-N 448.545 1.727 30 10 IDEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 816804735 FQOVJCIQTWUUHQ-HNNXBMFYSA-N 441.575 1.321 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1-c1ccc(F)cc1 839202209 LHYZBRUHHSPTHB-UHFFFAOYSA-N 439.516 1.418 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3Cl)n2N)cn1 1083971868 GTPYIXCLNVXNKP-UHFFFAOYSA-N 449.928 1.665 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@H]1CCCO1 1116373502 HRHPLZXDSBRRSB-OAHLLOKOSA-N 445.516 1.266 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)Cc1ccc(O)cc1 1137776936 ZPYQCVPAHNNFSD-VQIMIIECSA-N 445.541 1.565 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)c1 1144931757 LMAAJFPYAXBJTB-UHFFFAOYSA-N 441.553 1.705 30 10 IDEE Cn1cc([C@@H]2C[C@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)cn1 1159681119 AABRBOJEGNBTIT-QRQLOZEOSA-N 436.472 1.533 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1171716937 FZIPGJZFKIKIQA-KRWDZBQOSA-N 430.505 1.791 30 10 IDEE N#Cc1c(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)ccc([N+](=O)[O-])c1N 1184775046 GILFWTDYKQERLY-UHFFFAOYSA-N 441.391 1.977 30 10 IDEE Cn1cnc(S(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1Cl 1212420250 BUUGPJUGGPGUGZ-UHFFFAOYSA-N 431.909 1.846 30 10 IDEE COC(=O)C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 1230985177 QIHKBZCRFPSNAK-KRWDZBQOSA-N 434.518 1.163 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286351172 BJPJKWVYTRUVSM-FQEVSTJZSA-N 438.532 1.414 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1286352852 OKVGEVYCPYPCRZ-SJORKVTESA-N 446.552 1.667 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286387024 MSBVMFHAUJLNDK-HZPDHXFCSA-N 432.550 1.205 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1286409591 RRMNJSPTDYTRAL-XMMPIXPASA-N 442.479 1.766 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1286427555 BPFJBBYSMMUALS-UHFFFAOYSA-N 429.546 1.232 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N(C)CC)CC1 1286474113 ATODMXMVOGRXFH-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1286509643 VKFREVASLBBOQK-DLBZAZTESA-N 441.623 1.604 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C 1286518352 DYAFMLPEWZGVRM-PJGWDPASSA-N 429.612 1.428 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2C(C)C)C1 1286811074 ZLPOZJSJNKBAOX-XDNAFOTISA-N 439.582 1.609 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286822407 JMSGGBGEXQUOHX-MRXNPFEDSA-N 430.596 1.235 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1288530316 FBNSOJWTRVSQIF-KRWDZBQOSA-N 437.504 1.716 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCc1nccnc1C 1297279518 HJQLIJYBCFUISW-UHFFFAOYSA-N 433.520 1.749 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(F)F)CCO1 1299153608 AUXPXAMLFHCLAX-MRXNPFEDSA-N 434.447 1.725 30 10 IDEE CO[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1299676723 HVHRONOYMPQPDW-ROUUACIJSA-N 438.536 1.493 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)c1ccccc1 1300304768 QLWKJXYISKENIR-OAHLLOKOSA-N 441.513 1.938 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300766552 FXTBBUVNLRBQIC-INIZCTEOSA-N 434.591 1.100 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300896359 DNTDEXWGJVKKJA-FXCLAUTBSA-N 446.552 1.610 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CCOCC1 1301271604 XPISEXDWOBYHFK-INIZCTEOSA-N 447.609 1.890 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1cccc(Cl)c1 1301499116 XSOAUKOIOGDMTA-MRXNPFEDSA-N 432.912 1.700 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301512084 LJNGYMWYZHIHHZ-BSBNDGSWSA-N 437.504 1.729 30 10 IDEE COCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301538984 DZZNFHOOOWQOQY-SFHVURJKSA-N 438.536 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCC2)C1 1301586456 MDIGIDJKNYIKRB-FQEVSTJZSA-N 444.605 1.929 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CCN(C(C)C)CC1 1302242883 NVAMDVSJHWPRSM-QYZOEREBSA-N 434.585 1.976 30 10 IDEE C[C@@H]1N(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1305246444 YUSALTFOLKFHAJ-SKOAFDGASA-N 444.536 1.702 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1314019435 GPPRAEXOTBDZLR-JOCHJYFZSA-N 439.520 1.162 30 10 IDEE COc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1315457460 DJMAVPBNJZDSEX-GOSISDBHSA-N 433.472 1.905 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccccc1OC 1316296930 DIWDFPPUZRINCV-NSHGMRRFSA-N 427.505 1.982 30 10 IDEE Cn1c(=O)c2cc(NC(=O)Cc3ccc(Br)cc3C#N)cnc2n(C)c1=O 1351080024 MFPHJKAUVKHQPD-UHFFFAOYSA-N 428.246 1.448 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1358929993 LYIRAMVDEFJOAT-GOSISDBHSA-N 441.557 1.755 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@H]1C 1358975790 DZDLCKIMTSOVGA-VGSWGCGISA-N 440.573 1.862 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1359021950 HVPSPBLNICCIOY-LJQANCHMSA-N 447.547 1.927 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1359291220 IMPKJVGBFMSPAK-OAHLLOKOSA-N 442.524 1.363 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359304516 ZNOXVBGBEJARFU-QGZVFWFLSA-N 426.521 1.443 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)CC)C1 1359314731 HCFYGNZTRHYWJC-QGZVFWFLSA-N 447.561 1.608 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)C1 1359325079 XOZBVOYGWIENEQ-SFHVURJKSA-N 430.553 1.584 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359330655 YLNDHTOSDGDSJE-UHFFFAOYSA-N 444.561 1.390 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@@H]1C)S(C)(=O)=O 1359480765 BSXMPEJGUHZXKO-KQDGPHEJSA-N 447.561 1.614 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2cccnc2N2CCC[C@@H]2C1 1454939769 GECLTYYTAIEUJF-CRAIPNDOSA-N 425.514 1.631 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1)c1cc[nH]n1 1455533307 WDMMPQVUHHHRHR-OAHLLOKOSA-N 429.433 1.177 30 10 IDEE C#CCCN1CCN(C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1464609616 AWEVYOKVGSRVED-PZJWPPBQSA-N 433.574 1.101 30 10 IDEE O=C(N[C@H](Cc1cnc[nH]1)C(=O)NCC#CCO)OCC1c2ccccc2-c2ccccc21 1467503954 MTRMCNSDIOUHNB-HSZRJFAPSA-N 444.491 1.971 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)[C@H]2CCSC2)c1 1468560720 GXOLSKWXFQHOMX-IBGZPJMESA-N 436.599 1.764 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CC(=O)N(CC)C3)nnc12 1472594875 HFZOAKWNBOCJGJ-AWEZNQCLSA-N 440.529 1.307 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCS(=O)(=O)C1 1479232914 BBHQQECKFFPGQR-GWWPLSDWSA-N 440.562 1.488 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1503240397 ZQSRHQBZHQFGES-YCRPNKLZSA-N 444.561 1.554 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1503838227 FDNUAVHVNSPJBL-JKSUJKDBSA-N 432.550 1.760 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1505026566 BKHAQNMKRSONMH-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507593376 NXPPAGHCKBPTGN-HNNXBMFYSA-N 435.575 1.696 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)(F)F 1507611347 NCAJKEJZZYLCPH-UHFFFAOYSA-N 436.442 1.200 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507630112 SWWUZZRSJQGWAD-RBSBEOHCSA-N 445.570 1.212 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1507654010 UPDGXZZXUOTNHG-KRWDZBQOSA-N 447.586 1.296 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(C)CCCO2)CC1 1507717424 CENFQGKFSQSDBW-QFIPXVFZSA-N 443.573 1.673 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1507728465 ZBSAYBIGFFVCRX-UHFFFAOYSA-N 449.559 1.646 30 10 IDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507787427 DIMWRGVQLPYYAO-INIZCTEOSA-N 435.326 1.514 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507865461 CQFVKXXDTUHMLW-ZDUSSCGKSA-N 448.936 1.568 30 10 IDEE C=CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1508168994 WGDOFYQXDHBICF-CSODHUTKSA-N 435.594 1.953 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)[C@H](C)C1 1508260150 MWOSRXXAPDJKMP-CRAIPNDOSA-N 437.504 1.064 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)[C@@H](C)C1 1508260159 MWOSRXXAPDJKMP-MAUKXSAKSA-N 437.504 1.064 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1516194805 HLYQHHAWNVRRTI-OALUTQOASA-N 426.468 1.442 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1519447248 CMIITOKNOQYCOU-FHWLQOOXSA-N 432.569 1.853 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)OC)cc3S(C)(=O)=O)cc2C1=O 1526395856 ZDVGMGXXMXJBJE-UHFFFAOYSA-N 442.449 1.911 30 10 IDEE C[C@@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1529448660 MBMWKYHXYJCHJH-JKSUJKDBSA-N 436.534 1.787 30 10 IDEE O=C(N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(n2cnnn2)CCOCC1 1536954187 RLUWQBISPCLZJT-IUCAKERBSA-N 449.302 1.808 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1539179902 TYNWLSXDSZRTBI-HNNXBMFYSA-N 433.500 1.524 30 10 IDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1539376260 SQYOTCNKQAWAKD-UHFFFAOYSA-N 444.586 1.983 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](C)C1 1539416680 RMWPFHNPXMOAAM-BZSNNMDCSA-N 439.582 1.133 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC)c2)CC1 1539446744 ICALKTMOOKRFRA-IBGZPJMESA-N 443.573 1.382 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539705095 OITFBWVQOLJOKY-KRWDZBQOSA-N 449.581 1.301 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1539731290 ZKQASSXURPPIKM-ROUUACIJSA-N 440.614 1.546 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1540092867 SFTBAMRPURZNHV-INIZCTEOSA-N 442.486 1.932 30 10 IDEE C=CCn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861539 WATHWNSIYZFCPC-IYBDPMFKSA-N 434.541 1.530 30 10 IDEE COC(=O)C1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1554539671 ZDDHXNHBYYFFRY-VHEBQXMUSA-N 430.509 1.392 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(C)(C)O)cc(OC)c1OC 1554745119 DRLFKTMTAURUQH-OAHLLOKOSA-N 431.493 1.861 30 10 IDEE CCc1ccc([C@@H](C)NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1 1559448938 WJUJXAVCZLONFV-OAHLLOKOSA-N 440.500 1.663 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1586377884 RURXICBOHZCIME-IBGZPJMESA-N 449.573 1.153 30 10 IDEE C#C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C1CCOCC1 1586731071 ZSPZYUOZRFTPHN-JXFKEZNVSA-N 448.317 1.761 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 1587943594 DSPQKVQKGVCKFC-IRXDYDNUSA-N 438.569 1.960 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C2CC2)CC1 1588762390 HOSZCYPHWXRRAF-JOCHJYFZSA-N 443.573 1.265 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccn2)CC1 1594241127 GPYDCSLUMUMKCI-LJQANCHMSA-N 446.577 1.651 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nnn(C)n2)C1 1595672748 CXKHCXPBUCIVHW-QGZVFWFLSA-N 437.508 1.500 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1595784900 MUYIFDRPRPYPKM-ROUUACIJSA-N 448.593 1.922 30 10 IDEE C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1611498310 AYLBIVYBRZHUEU-CRAIPNDOSA-N 448.474 1.996 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1613342492 INUCCIVWQMFYGW-HOTGVXAUSA-N 429.525 1.775 30 10 IDEE CN(CC1CCC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1618069804 WERIMCNLRXMLKO-ZPHPHTNESA-N 427.509 1.277 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)CC1 1619546878 GKEWOZQPWNHQKM-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)cc1 1620351608 CGINKMVFCHNIAO-FQEVSTJZSA-N 449.515 1.860 30 10 IDEE Cn1cnnc1CC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1620595522 CCOPZSFADUVMSB-OAQYLSRUSA-N 439.539 1.618 30 10 IDEE COc1cccc([C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2cc(F)ccc2OC)c1 1621776938 CPATXBIBOGPEIQ-FQEVSTJZSA-N 438.415 1.883 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)C1 1628332009 DXGQAPDITNUDHG-PMACEKPBSA-N 430.549 1.474 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1 1632050265 DFRAFILYIUBYPX-UHFFFAOYSA-N 435.399 1.796 30 10 IDEE COc1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c(I)c1 1632882628 HIJFMELQFFHCAK-UHFFFAOYSA-N 426.170 1.072 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 1632960367 GDGCIWSEMBUNEX-UHFFFAOYSA-N 428.558 1.936 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCOC[C@H]2CNC(=O)NC)nnc1-c1ccco1 1636363158 NEAYGIKIFVEQMN-CQSZACIVSA-N 434.522 1.363 30 10 IDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1636888532 FZNYOCOWAUXFIB-JGVYIQDASA-N 443.566 1.876 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCCC[C@H]12 1640636331 BVAIZVHCZDNMCF-KSFYIVLOSA-N 443.504 1.774 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1641578450 QKWALIKOHYVOGR-INIZCTEOSA-N 426.560 1.838 30 10 IDEE N#Cc1cn(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(=O)nc1O 1641967716 HQBAJGNGMIAQOJ-UHFFFAOYSA-N 436.394 1.267 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(C(=O)OC)s3)CC2)c1 1654654096 OCAPUVLEQSAKQF-UHFFFAOYSA-N 426.498 1.986 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 1659797843 VOPZEKSDEIBTTC-FPOVZHCZSA-N 432.590 1.825 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC2(C#N)CCCC2)C1 1674097210 DCZDXZVFQZBQMS-OAHLLOKOSA-N 428.555 1.794 30 10 IDEE C#CCSCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1677865766 KELXWSMILHUUQH-UHFFFAOYSA-N 431.303 1.279 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1682871492 QABHWPZJQKZMTL-UHFFFAOYSA-N 433.818 1.996 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1689831666 PBSACPFOPSGMEJ-IIBYNOLFSA-N 432.546 1.840 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 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432.532 1.494 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C 1722494082 MIFRJTRVXCWEIF-RDBSUJKOSA-N 428.331 1.578 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722527197 BONYNSZJDGXYRY-LJQANCHMSA-N 444.580 1.849 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722701655 YZKATKXNBIORDU-WZONZLPQSA-N 425.533 1.750 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722725607 OZOBFLMAUNSBRZ-GOSISDBHSA-N 446.577 1.099 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1723780531 SHCHZKSBRJCMNA-BRWVUGGUSA-N 446.581 1.321 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1727814905 BBGSRXQOQKNZMK-DXNFXHBHSA-N 432.550 1.640 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1729670592 UYGRQIJHZMSQMG-GOSISDBHSA-N 435.532 1.694 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1 1731180378 DOMWBVAYCIMRGH-GOSISDBHSA-N 442.545 1.486 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)Cc2ccccc2C1 1740680353 ZFRUWEWDMOLXMV-QGZVFWFLSA-N 445.589 1.779 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-c2cnn(C)c2)CC1 1740688532 GPKZEKYBPONNHJ-UHFFFAOYSA-N 446.559 1.620 30 10 IDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCS(C)(=O)=O)CC1 1740695420 QRWNSWHNRMNMDH-UHFFFAOYSA-N 426.546 1.616 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC(=O)N2)CC1 1740697502 GZTUSYINILMTJZ-QGZVFWFLSA-N 443.349 1.741 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740714668 GWYJBHLFTZLIBW-INIZCTEOSA-N 449.602 1.838 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1740762678 VMHTWBPBDRAIAK-KURKYZTESA-N 441.598 1.827 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740968261 GKJMKJOYHPLSIX-SJLPKXTDSA-N 438.532 1.552 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740999249 BKUBEPIOPMYGKV-INIZCTEOSA-N 438.623 1.968 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1741113166 HSJYHCITAWRNAP-GOSISDBHSA-N 430.534 1.356 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742699398 XHKVHEYSEIRWHE-MRCUWXFGSA-N 438.536 1.902 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@]2(CCOC2)O1 1743243405 ARGLJKLAGDTNGL-QRWLVFNGSA-N 431.518 1.246 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2([S@](C)=O)CC2)CC1 1748995138 YLKWKYDSABTHGB-PMERELPUSA-N 427.574 1.566 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1749103429 VUQCPPKFKJJXGK-CQSZACIVSA-N 428.331 1.376 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCNS(C)(=O)=O 1749124987 SFIAOPVERJUUQA-HKUYNNGSSA-N 449.577 1.920 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1 1749651347 SVLZVJNIJDHHLI-KRWDZBQOSA-N 426.521 1.616 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1749666572 MVTGSGMLHZAHRU-UHFFFAOYSA-N 430.459 1.698 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1)S(C)(=O)=O 1750090434 KYOFGMPXACKBLN-XFQAVAEZSA-N 447.561 1.880 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCCN1CCCC1 1751215739 AEDHPAVESRULFO-VQIMIIECSA-N 441.577 1.596 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](F)COC)c1 1760127305 VWACNEAJQNMDEF-MRXNPFEDSA-N 430.484 1.457 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCCS(C)(=O)=O 1760173758 BKVCLOKDXQLLKX-UHFFFAOYSA-N 445.593 1.736 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 1760181538 XBGGWFZDZDVWGK-IBGZPJMESA-N 429.546 1.401 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760214172 DTJSQNZBERKTTO-IBGZPJMESA-N 436.541 1.561 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1760218457 HAKLYLIESJYCNL-GCJKJVERSA-N 432.590 1.974 30 10 IDEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1C[C@H]1CCCS(=O)(=O)C1 1760250772 MDSBOAXAOYTSIK-HXUWFJFHSA-N 430.574 1.974 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760321804 KKQROQONOOZSFG-SBHAEUEKSA-N 446.596 1.364 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1760322538 UDCQNQLCJKAZCD-OTWHNJEPSA-N 448.593 1.921 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760326978 AORAUFCOPGZNMZ-UYAOXDASSA-N 448.568 1.370 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1760381252 FJUHAMHABMFELU-UHFFFAOYSA-N 447.499 1.994 30 10 IDEE CC(C)(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760800644 OXQAWZRVRFAUQO-KRWDZBQOSA-N 438.536 1.638 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768446875 HJJXYYRROVTPLR-SFHVURJKSA-N 438.536 1.591 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)C[C@H]1O 1769449272 LPXYREXJLDJMJV-KBAYOESNSA-N 427.530 1.930 30 10 IDEE COCCOCc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770127069 ABSJJHGBWZDWDU-UXHICEINSA-N 427.505 1.722 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1771272954 ZBRCZDKTPLEDIC-JTSKRJEESA-N 427.505 1.864 30 10 IDEE CN1C(=O)C[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1cccs1 1851835797 AJBYHFQGFNXQKG-UTKZUKDTSA-N 439.541 1.900 30 10 IDEE CN1CCN(c2nc(NC(=O)c3ccc(Br)cn3)c(C#N)cc2C#N)CC1 1851841125 YOZFIECKVKVOPW-UHFFFAOYSA-N 426.278 1.987 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc(-n3cnnn3)cc2)cc1 1852217599 NNNHZVSZAVZVFZ-OAQYLSRUSA-N 434.456 1.471 30 10 IDEE CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)N2CCN(c3nccc(C#N)n3)CC2)C1=O 1853214815 OINHSMWKFJEPLK-QGZVFWFLSA-N 440.891 1.854 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@H](C)NCCn3nnc4ccc(F)cc4c3=O)C2)CC1 1853444151 IHKROUJYLIERCH-HOTGVXAUSA-N 449.552 1.669 30 10 IDEE N#Cc1ccc(CC(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 1855961711 SFUSNSNLLBDGQT-UHFFFAOYSA-N 425.466 1.238 30 10 IDEE COc1cc(N2C[C@H](CNS(=O)(=O)c3ccc(C#N)cc3)OC2=O)cc(OC)c1OC 1891576855 GZJQFPDJYMJVIS-HNNXBMFYSA-N 447.469 1.888 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(COc3cc(C#N)ccn3)CC2)cc1 1891970454 DSWVESUHEITTGX-UHFFFAOYSA-N 428.514 1.858 30 10 IDEE N#Cc1cc(N)ccc1S(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2162581145 USWYKFXIQUETCN-SFHVURJKSA-N 430.486 1.456 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2243387304 RKJJLQPRVOBDEJ-DLBZAZTESA-N 440.309 1.896 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C 2248400749 ATHSLSSEBXFVTP-ZDUSSCGKSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1(C)C 2248487668 UWQGCGMIZKYRNB-IBGZPJMESA-N 438.359 1.891 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255624152 CKBIGUYKETZEJU-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE C[C@@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255644857 CTHMYIAEHDBOMX-GHMZBOCLSA-N 447.288 1.971 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255700403 BWGDBFACHWCRAV-ZDUSSCGKSA-N 435.334 1.101 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255707667 ZGYRKUFRNZXVGV-CJNGLKHVSA-N 435.330 1.583 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255838985 ONAAXJJFILEPDG-QDMKHBRRSA-N 430.314 1.371 30 10 IDEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2256068887 GSWUSLDUMDYHHO-ZDUSSCGKSA-N 432.330 1.761 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2256625550 YHDXOCKERULPRJ-MRXNPFEDSA-N 432.326 1.761 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256733691 AOBHWGHDKADXPI-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE Cc1c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266995152 DVXHKOHLXCDWLV-SQWLQELKSA-N 446.357 1.765 30 10 IDEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267139296 DPQIVSYJBGAPQE-HSZRJFAPSA-N 440.353 1.418 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2267251899 OLTMHTYDYQZSMT-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)OC(C)(C)C 2267459717 FLKQIFSWKZIZID-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CC[C@H]1NC(=O)C(F)(F)F 2267596532 KBDXEZAYWYQQSF-TZMCWYRMSA-N 443.275 1.853 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2268651696 BXLXVLLBQBBLAE-GOSISDBHSA-N 446.353 1.756 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)n1C 2315527165 SUHXGDGKZNZYFI-UHFFFAOYSA-N 434.346 1.815 30 10 IDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(O)cc1O 2328471514 XUHSQJOCAYPGFG-UHFFFAOYSA-N 428.430 1.648 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2334270326 ATIHCHFDDBUPDG-OFQRWUPVSA-N 446.357 1.765 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2334311577 MPJFGENEAFDWHC-KFWWJZLASA-N 444.341 1.904 30 10 IDEE CC(C)N1C(=O)C[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409515334 TTYVFFPWXIFDAO-RPVQJOFSSA-N 444.916 1.588 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 443101867 JYTMEIZDUJVVIB-UHFFFAOYSA-N 449.888 1.888 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 460587689 VSQVZFAKBHIBIF-IAGOWNOFSA-N 431.566 1.652 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(-c3scnc3C)nc3ccccc32)CC1 463347757 CFHDGGZBSYMEMT-UHFFFAOYSA-N 438.557 1.915 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cnn(-c4ncccn4)c3)CC2)cc1 467718179 MDWSERBBGLSRMA-UHFFFAOYSA-N 438.473 1.072 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(OCCN(C)C)cc3)CC2)c1C#N 472092827 DWCIBOXMIIDTPW-UHFFFAOYSA-N 425.537 1.572 30 10 IDEE C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478974471 AFBHJCSWKYCEDN-MRXNPFEDSA-N 429.498 1.351 30 10 IDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488258470 DSIPHOPDIGVVJK-NHCUHLMSSA-N 433.512 1.658 30 10 IDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1cccc(F)c1 513139394 QRBQDJKLVZGFAU-JOCHJYFZSA-N 443.479 1.711 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)c1 523305768 DNTHKEPXZYNFIT-UHFFFAOYSA-N 437.565 1.423 30 10 IDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 532979928 DALHBEZCPHEXIJ-UHFFFAOYSA-N 425.551 1.435 30 10 IDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@H]2C1 535104691 BYSMJBOXBFNVPO-GIVPXCGWSA-N 447.557 1.754 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)CCCC2(C#N)CCOCC2)nc1 542150888 JXHFFTXOHHDRAJ-UHFFFAOYSA-N 429.564 1.986 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CCN(c4cnccc4C#N)CC3)CC2)nc(C(C)C)n1 575431391 YMGSGXVPAIDLNZ-UHFFFAOYSA-N 448.575 1.646 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1OC 603791675 CUCVJQTUTBADGK-UHFFFAOYSA-N 449.532 1.563 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 609254939 JHCPFEZZQIXZKD-UHFFFAOYSA-N 442.497 1.475 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 619510174 WURAXFFIHZNJID-LJQANCHMSA-N 431.562 1.034 30 10 IDEE CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730141022 LXWSWIMPFOQOEQ-INIZCTEOSA-N 437.541 1.350 30 10 IDEE CN(C)C(=O)C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccc(Cl)cc21 743909364 YPFCKWLMIYHHFD-RHSMWYFYSA-N 443.935 1.447 30 10 IDEE COc1ccc(COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)[C@@H](C)O)cc1C#N 746952895 FSIXLXYMLIXZKW-QRWLVFNGSA-N 432.498 1.955 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 748402555 MLECVVLBGOOJQJ-UHFFFAOYSA-N 438.459 1.946 30 10 IDEE CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 752214416 BEVZJHKKORRCTQ-SJLPKXTDSA-N 440.543 1.468 30 10 IDEE C=CCn1c(-c2cnccn2)nn(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1=S 764863364 CSCCRQUIENWWMA-INIZCTEOSA-N 429.550 1.585 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(CCOC)nn1C 769319379 PCNKCEXMEMUPCM-INIZCTEOSA-N 433.534 1.845 30 10 IDEE C[C@H](c1ncn(C)n1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 780310814 AKHGVPLDUFBQSZ-CJNGLKHVSA-N 447.540 1.715 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)n1 789323269 KPBNFPYOVXPLQB-UHFFFAOYSA-N 436.520 1.504 30 10 IDEE C[C@@H](CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 798069113 JEMNKHZYMVOCEI-BBWFWOEESA-N 446.573 1.801 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO2)CCN1C1CC1 802692715 KMBBIARHSFJQLY-SJORKVTESA-N 441.561 1.625 30 10 IDEE C#CC[C@]1(C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCCN1C(=O)OC(C)(C)C 808595412 PVHNAQDELIWMFZ-IVZQSRNASA-N 435.521 1.448 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cccc(N4CCOCC4)n3)C2=O)cc1 1116675577 KSLZFXBOSCRFDC-LJQANCHMSA-N 448.483 1.311 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OCC 1132192532 JMBDDYQXNXWQOP-QGZVFWFLSA-N 428.938 1.721 30 10 IDEE N#CC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(F)(F)F 1133828206 SXCVYOMHUXZSSP-BXUZGUMPSA-N 431.392 1.584 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC(O)C1 1135854134 YEFASASADUZGKI-UHFFFAOYSA-N 445.520 1.738 30 10 IDEE N#Cc1c(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[nH]c2ccccc12 1136245007 XRORNJWCASXSPV-UHFFFAOYSA-N 438.513 1.316 30 10 IDEE C#CCSCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1136873491 RRKQTUGPXKXXBP-SFHVURJKSA-N 438.615 2.000 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)c1 1141286166 KLFFZGXRDHAYIT-HNNXBMFYSA-N 445.488 1.876 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1150665448 MGUHGYXUTBOUAU-UHFFFAOYSA-N 429.521 1.267 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1180230373 HWZZEIZBLJHGLA-LJQANCHMSA-N 431.558 1.622 30 10 IDEE C=C(C)CS(=O)(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1191326227 ZYRVHEAKQSXVCT-IAGOWNOFSA-N 442.582 1.760 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 1195034303 UCXWTTZIQODJEU-UHFFFAOYSA-N 428.308 1.156 30 10 IDEE C#C[C@@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)c1ccc(Br)cc1 1211982403 UVMONAJNTXAWQU-OAHLLOKOSA-N 430.324 1.732 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)CC1 1224972757 VXKKMOQWLHGZOS-MRXNPFEDSA-N 426.926 1.349 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)CC2)cn1 1225092052 AAIKQLXHMGCIIH-QFIPXVFZSA-N 448.527 1.894 30 10 IDEE C[C@H]1CN([C@H](C)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1277542652 VFIUBBITMJVZBF-OAFZBRQQSA-N 427.505 1.377 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1286272352 BMHOADURENOITM-LSDHHAIUSA-N 432.550 1.144 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)CNC(=O)C2 1286542858 DDFBAKSERCKQAD-UHFFFAOYSA-N 437.342 1.416 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286546552 BURDJHONCBNODI-AWEZNQCLSA-N 441.330 1.490 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1286567239 LHJRARSCILQZMZ-HNNXBMFYSA-N 446.577 1.625 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286612232 WXCOVNLJDNGEIQ-IBGZPJMESA-N 432.569 1.152 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2ccco2)CCOC1 1286961749 QWNGLKLRACHBTQ-IERDGZPVSA-N 430.509 1.938 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291616714 JPOUYXFGUSKVTO-BSBNDGSWSA-N 427.553 1.993 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N(CCC#N)Cc2ccccn2)C1 1293066044 VKENYOKAPSTPBV-QGZVFWFLSA-N 436.534 1.748 30 10 IDEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1293676929 XZQITQXVEGTTFA-AATRIKPKSA-N 435.532 1.956 30 10 IDEE CCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1294294777 ALHPPRWUEBKKEO-SFHVURJKSA-N 426.525 1.596 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1296764308 RXRGIKWMYGQZKT-KSFYIVLOSA-N 440.504 1.559 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C 1300560508 BCBIQBBWCIOUSW-SFHVURJKSA-N 442.589 1.608 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCOC1=O 1300664802 FINVYTVVNCHBGL-UHFFFAOYSA-N 427.461 1.602 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)n2)CC1 1300700931 YXLMMPVXKPOKLO-IBGZPJMESA-N 442.589 1.272 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)CC)CC1 1300729387 XXAPXXMCUJRMIR-NRFANRHFSA-N 430.578 1.761 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300753873 CQIVFGOBVGAWPV-KRWDZBQOSA-N 448.618 1.814 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1300806532 YTPSTIYTCGESRT-YLJYHZDGSA-N 444.517 1.116 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1)C1CC1 1301314600 XYTXGGGNBGRFAI-URLQWDBASA-N 425.555 1.381 30 10 IDEE Cc1cc(C)n(CCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1304773559 RXQYITHBZMYUHA-UGKGYDQZSA-N 443.552 1.951 30 10 IDEE C[C@@H]1N(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1305246447 YUSALTFOLKFHAJ-XSAFGROZSA-N 444.536 1.702 30 10 IDEE COC(=O)c1cccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)c1Br 1309493524 DHCLZHGCIMGXSN-UHFFFAOYSA-N 445.291 1.703 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1322983948 DLQKOPDAAMDQSB-UHFFFAOYSA-N 430.501 1.966 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCN(C)[C@@H]3c3ccc(F)cc3)CC2)o1 1324155819 AIKSXXGDXUSUGR-GHTZIAJQSA-N 426.496 1.677 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1358977766 VNBWPVRPKBIVAZ-MSOLQXFVSA-N 426.471 1.883 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)n1 1358978340 JXRDNVGUBNCOSF-UHFFFAOYSA-N 444.547 1.286 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359244476 FIEBYRIRESALQF-MRXNPFEDSA-N 435.550 1.769 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCO[C@H](c2ccccc2)C1 1359291104 DZLGIOGKLKRSCX-IBGZPJMESA-N 438.532 1.784 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359293912 DGUWXFTWWHAQSZ-QGZVFWFLSA-N 439.520 1.296 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNS(C)(=O)=O 1359513064 FIKLZWUOCNULAL-UHFFFAOYSA-N 446.581 1.108 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1360476484 MVZSRXHOKZWPTC-SWLSCSKDSA-N 427.900 1.906 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1457998058 BCSOTBCUUSPNFE-UHFFFAOYSA-N 431.470 1.455 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cnn2cc(Br)cnc12 1464026021 KNMNWTCJNMNZHV-UHFFFAOYSA-N 429.296 1.457 30 10 IDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(N2CCCOC2=O)cc1 1470323811 WBBLLZKRNBJOTJ-IIMJZQEZSA-N 432.502 1.674 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)ccc1F 1470467808 JUTSSIZPQANCPH-UHFFFAOYSA-N 445.469 1.007 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCc2ccccc2S(C)(=O)=O)[C@H](C#N)C1 1478402561 CAQRXWSPMUNJND-HZPDHXFCSA-N 436.534 1.691 30 10 IDEE CCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499065925 ZJOZEVJWAJFKSX-RAJOGRCSSA-N 443.552 1.498 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1503370838 BXMAPXDYHXKQJD-UHFFFAOYSA-N 449.475 1.851 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(S(C)(=O)=O)cc1 1507612695 UGBVNTAJXGTDTJ-UHFFFAOYSA-N 427.486 1.527 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1507630914 JODTTYADHRIKNT-IBGZPJMESA-N 441.557 1.580 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1507646749 SDIXOPZTKBVCQV-UHFFFAOYSA-N 437.525 1.839 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCCC2)C1 1508098017 WHVKJQOSYNHLPU-NSHGMRRFSA-N 432.569 1.369 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1508390194 UGUIAOIZFVHZKI-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1516179212 AVNRBBWRCLYCKI-IAGOWNOFSA-N 434.438 1.866 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1516958498 NTVHMZWYWDVWPR-XMMPIXPASA-N 449.559 1.990 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCOC1 1517066449 DZQGXYDXGTWNCF-AWEZNQCLSA-N 438.410 1.632 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCOCCS(C)(=O)=O 1517105313 FKFIDEHPAYLPAB-UHFFFAOYSA-N 441.517 1.304 30 10 IDEE COCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1519035319 KRALEUSVZJNZJV-QZTJIDSGSA-N 440.552 1.975 30 10 IDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1525461344 WXNUEYKZCQMTRH-OKZBNKHCSA-N 435.569 1.773 30 10 IDEE C#CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C1CCN(C)CC1 1538520563 ZVXWGLVBSXLPDU-UHFFFAOYSA-N 442.379 1.626 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C/C=C\CC)c1 1539037947 JMDJHIDTWJKCHP-QWGSZXSUSA-N 444.561 1.911 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539224022 BSQDFODMRPHDSR-SFHVURJKSA-N 429.546 1.196 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)F 1539272713 AKGNXMYVBZQVCT-UHFFFAOYSA-N 428.443 1.561 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NC)CC1 1539474563 UADPXALQVUBLSR-UHFFFAOYSA-N 429.912 1.095 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1539526254 GOVJDMSMJDSXLZ-MRXNPFEDSA-N 429.546 1.899 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1539728088 CRQNHZNIWOBWCH-UHFFFAOYSA-N 447.561 1.610 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1539743951 AOJKJDIWTZZKQW-IEBWSBKVSA-N 433.553 1.844 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCn1cncn1 1540119621 GTHKSBCLVFYGAW-UHFFFAOYSA-N 431.504 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540903275 AKYJSJZVJDDBNW-DLBZAZTESA-N 449.602 1.588 30 10 IDEE CN(C)C(=O)NC1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1556700876 QRKSNYZLGHAIJX-UHFFFAOYSA-N 449.577 1.548 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)C3(C#N)CCOCC3)CC2)CC1 1557562398 YGPVMPDDOHZHAT-UHFFFAOYSA-N 435.525 1.124 30 10 IDEE Cc1cc2nc(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cc(N(C)C)n2n1 1559017156 AGAJOLQQUULHOF-LBPRGKRZSA-N 441.517 1.560 30 10 IDEE COc1nc(N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)ncc1Br 1566195956 HTENHARSMOZBAR-UHFFFAOYSA-N 432.282 1.275 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 1566263587 AJEYFMDBELKBSW-ROUUACIJSA-N 444.532 1.012 30 10 IDEE N#Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1585402455 JSAOXEMLYXTJOZ-UHFFFAOYSA-N 448.526 1.503 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1587989417 JEHLSCVZIJTOPQ-CYBMUJFWSA-N 441.355 1.299 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1588030707 ZYQYYVLDPVZRNP-KRWDZBQOSA-N 425.599 1.171 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1588064740 OCOABJXRRCJRKZ-RTBURBONSA-N 427.530 1.583 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CCC)OC)CC1 1588876759 HVPHIZWGVGGZLG-GOSISDBHSA-N 430.553 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC=CCO2)CC1 1588890560 BXVMGTRSUXGLDV-AUSIDOKSSA-N 443.548 1.241 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1589135209 VDVHNNUETRQKSS-JOCHJYFZSA-N 428.581 1.742 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1 1589568506 JYWOIHCMYKFCHH-OXJNMPFZSA-N 438.523 1.769 30 10 IDEE C=C1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N2CCSCC2)CC1 1594077324 KAGBRUOCSGPWDP-UHFFFAOYSA-N 434.591 1.875 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1594948323 DYZPHZOOVJNVCQ-QZWWFDLISA-N 446.552 1.876 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C(C)C)C1 1595672956 DOBPWJHRJPSJHU-INIZCTEOSA-N 427.509 1.479 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1603004516 KCXCFXAKVDNRAK-ZWKOTPCHSA-N 448.549 1.749 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1614978317 HGQSKXVINSAQRX-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OCC)CCOC1 1617204495 CHYIMZBJPXHOGD-NRFANRHFSA-N 428.493 1.502 30 10 IDEE C#CCN(CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)C(=O)OC(C)(C)C 1617718333 XWYJJHIPZUVDFW-UHFFFAOYSA-N 442.560 1.999 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(O[C@H]4CCOC4)CC3)C2=O)cc1 1626172699 XNGYRSIPMFLLTM-OALUTQOASA-N 426.473 1.560 30 10 IDEE COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 1629426364 BHCJKFCGNDPAFE-ACJLOTCBSA-N 431.470 1.264 30 10 IDEE C=CCn1c(SCC(=O)NCC(=O)NCC(=O)OC)nnc1-c1ccc(Cl)cc1 1634481842 XTDOFKULKDJMAO-UHFFFAOYSA-N 437.909 1.282 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1638810305 IXYLPCKNXNHSKV-CVEARBPZSA-N 434.518 1.447 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1638906588 XPGLVHRXDAFEJE-SFHVURJKSA-N 441.513 1.537 30 10 IDEE Cn1ccnc1[C@@](O)(CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(F)(F)F 1638995611 GWDLEOASCKXGMZ-SFHVURJKSA-N 425.386 1.920 30 10 IDEE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1648002846 VGIUHRXHAVCGHC-KRWDZBQOSA-N 447.561 1.486 30 10 IDEE N#C[C@]12CN(C(=O)/C(=C\c3ccco3)NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1648155238 BNAWSRWZLQATJQ-CQHSRTRWSA-N 425.466 1.447 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)OC)C1 1648925539 ZLVOPVVINKGYDT-YOEYTUCGSA-N 433.530 1.742 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)CC1 1650846272 POGWDLAHEAWRAB-UHFFFAOYSA-N 441.557 1.285 30 10 IDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)C(=O)OC(C)(C)C 1652187599 JTFBCYRZKRRRBH-UHFFFAOYSA-N 443.547 1.912 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1 1655280805 OOYZBCSFSIDRLA-ZHRRBRCNSA-N 439.541 1.564 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1656332820 GVIPEVSMNSBYFV-QHCPKHFHSA-N 427.501 1.638 30 10 IDEE N#Cc1cccc2c1CN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3F)CC1)C2 1659243393 QKHVCPXKFYFOFQ-UHFFFAOYSA-N 428.489 1.546 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(=O)OC 1663796433 JAAAWIDGJWEFDY-CQSZACIVSA-N 436.939 1.214 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1666799232 CHFXLBIEDPJVCW-HNNXBMFYSA-N 441.351 1.424 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)C1 1671494571 ALZDSIYDFNHQGC-BHYGNILZSA-N 434.518 1.714 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)n1 1687593429 QBTBQCLHSGJQGO-UHFFFAOYSA-N 439.582 1.315 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1689847968 MIYCSGMOMUVYNG-INIZCTEOSA-N 434.591 1.485 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690013415 NTMRWVHHYMEKMO-UHFFFAOYSA-N 436.497 1.290 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1(O)CCOCC1 1690095887 GUZWJFKMNZMBSY-UHFFFAOYSA-N 429.477 1.871 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1690588179 LNLKYIXYGCUVMG-INIZCTEOSA-N 438.488 1.883 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@H]1C 1690588462 WSBSFFLXBAHTQZ-GOSISDBHSA-N 435.536 1.820 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1690723639 XNGNKZKOBYHYPS-FQEVSTJZSA-N 446.533 1.737 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1691004542 SCOVXUQYKVQTCM-VIPLHTEESA-N 437.566 1.504 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1692551833 XEHBFHSDNKEUJI-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1)N(C)C 1692703186 GMDFJTPJXCTLQI-OAHLLOKOSA-N 430.582 1.928 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)n1 1697629317 NUHRKSZKURBTDG-UHFFFAOYSA-N 447.503 1.030 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1705569570 IAHHGKDAOXAXHD-QGZVFWFLSA-N 431.587 1.786 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC=C(C)CC1 1705900768 OMIVJNWRKUDYJX-UHFFFAOYSA-N 429.550 1.697 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705901147 BVQDMZDZUCHMDT-HXUWFJFHSA-N 437.548 1.196 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(OC)C1 1705927731 DZZCJNYUDGZTJU-IBGZPJMESA-N 425.555 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705937047 GWZOMJHILJMMKU-GOSISDBHSA-N 446.577 1.217 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1709815196 JHVNSBHGZNKXFZ-PBHICJAKSA-N 425.493 1.485 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1709937812 ADZASIHODIGXFF-MRXNPFEDSA-N 426.506 1.007 30 10 IDEE CNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1711400052 FBKNHGWODROUQW-QFIPXVFZSA-N 434.504 1.458 30 10 IDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1712058179 AHLZYXHHUOGMMK-UGKGYDQZSA-N 426.521 1.411 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712251320 ZUKHFQOIDRKUIY-OVGZCAFISA-N 444.536 1.561 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(OC)c1 1712648582 XPZCVXDOJXGUCL-IHPCNDPISA-N 427.505 1.982 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCNS(C)(=O)=O 1722278319 CQWLEKUPEDWPNF-SNVBAGLBSA-N 432.369 1.776 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)c1cc[nH]n1 1722290040 URFMNEKPEJRRCX-MRXNPFEDSA-N 429.488 1.742 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1722298412 ZPUGDKDEYGWRPH-YIYXVTKBSA-N 444.499 1.501 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNc1nccc(C(F)(F)F)n1 1722341807 DOOBEVNYFOOVMI-UHFFFAOYSA-N 445.409 1.916 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1722364520 HUPLLCCCUDGLTP-AZUAARDMSA-N 442.589 1.232 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C(C)C 1722376922 IHZZFKLMZXIUQM-UHFFFAOYSA-N 431.504 1.156 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(C(C)(C)C)s2)CC1 1722440247 GUYHIEQQEQQWLR-UHFFFAOYSA-N 442.593 1.353 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCOC[C@@H]2C)CC1 1722440880 DDNLJENEWKNPTD-IBGZPJMESA-N 442.539 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(C)COCCO2)CC1 1722444905 IIHQVEDMNFCAJI-HSZRJFAPSA-N 441.507 1.856 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722522231 FWVPJOFQUFFKMI-IBGZPJMESA-N 438.532 1.705 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1722537282 MMMUHDVGNCSRQG-KRWDZBQOSA-N 425.555 1.360 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722629874 ZPQQRERJZLTVKI-NJNPRVFISA-N 433.553 1.766 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722631756 WANFDHYYHOWDPD-JYJNAYRXSA-N 428.603 1.398 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)nc2OC)C1 1722720984 QSARXWYRMZLGIH-QGZVFWFLSA-N 442.520 1.642 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723585903 QQPWWTSSBZUFIA-LTDXQCTPSA-N 429.525 1.425 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1723771476 FWJULYLNOHZMKJ-INIZCTEOSA-N 442.549 1.761 30 10 IDEE CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)SC 1727136991 DKLBYRQHWHOTLG-UONOGXRCSA-N 430.600 1.539 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(OCCOC)CCOCC1 1727569204 QASJQWWMVGGGRF-UHFFFAOYSA-N 442.520 1.588 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)C[C@H]1O 1729783454 XKUANBLCXQQWOX-HZPDHXFCSA-N 435.431 1.806 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)F 1740733875 MUFREYXBSJIJLF-LJQANCHMSA-N 436.488 1.643 30 10 IDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740840135 WYCXGVNYSUFAPK-LJQANCHMSA-N 430.578 1.948 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740843891 SGMSMVCFTDCBFF-KUHUBIRLSA-N 440.570 1.522 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1)C1CC1 1740905955 AZYTYADTCLAUFE-UHFFFAOYSA-N 425.537 1.851 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740951384 XGNGSIXDFKXHDB-KSFYIVLOSA-N 448.568 1.273 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1740953093 VSFTWNZEAOZDEW-LJQANCHMSA-N 440.548 1.417 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1 1740992530 IBCQYUYBYXMHEE-UHFFFAOYSA-N 449.552 1.667 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741075812 XEAMDTPYINHGPY-BQASMSSTSA-N 429.525 1.207 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1C 1742254490 RJAWYBSEJXJCID-VGSWGCGISA-N 437.504 1.354 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)n1 1742705675 MNMXDKBMZQQOMI-SFHVURJKSA-N 443.533 1.666 30 10 IDEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCS(=O)(=O)NC(C)C 1742798795 AWVCIOCSIQOWBH-UHFFFAOYSA-N 432.550 1.834 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1745897148 AOQXIKUZUHIYDP-LJQANCHMSA-N 441.511 1.945 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1748820481 CLYBVKUPCIYMCW-MRXNPFEDSA-N 434.591 1.650 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1748891685 DCSGDPZXWDBZSO-IBGZPJMESA-N 430.574 1.850 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCn1cc(CO)nn1 1748945381 RWOBSDNJRXCOAM-GOSISDBHSA-N 439.495 1.735 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2COc3ccccc3O2)CC1 1748979203 XQJQFWMAKPAWGG-RBUKOAKNSA-N 441.532 1.597 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2conc2COC)CC1 1748999273 NUMABXYYOIMNRC-UHFFFAOYSA-N 447.499 1.667 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1749033790 MTNLKYSUHXUURW-HUUCEWRRSA-N 432.575 1.938 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749355516 ICPUJXCMSSIKMY-MRXNPFEDSA-N 441.467 1.322 30 10 IDEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749401036 REUKAGMXUONPLC-UHFFFAOYSA-N 446.596 1.730 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749409027 RMKDZQDVUCFENB-UHFFFAOYSA-N 426.525 1.203 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC2CC2)CC1 1749659790 JLXACQWWFIWTLT-UHFFFAOYSA-N 440.548 1.797 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2ccccc2C1 1750006568 HQZKXPSWGFBGNP-NQIIRXRSSA-N 440.548 1.789 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1750088933 KJQVEINBCOJNCD-RLFYNMQTSA-N 433.534 1.490 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1750193334 QBGJXTMRZBJIPH-LJQANCHMSA-N 447.561 1.619 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1760118173 ZIVUTVWOJMBZQV-CABCVRRESA-N 433.509 1.207 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1760173388 TWLCSJGFZYZHDF-INIZCTEOSA-N 427.505 1.527 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760185936 HEDXDVDDMIHKEI-HUUCEWRRSA-N 430.521 1.918 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1760200485 KIFHDDOJPCKFRR-UHFFFAOYSA-N 445.527 1.787 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760206915 QRRNFBREWUZINP-SFHVURJKSA-N 442.564 1.976 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC1 1760251635 FDLSNLRPZDORQX-UHFFFAOYSA-N 427.528 1.425 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760279029 OTRISVRPPVYOMN-GOSISDBHSA-N 437.577 1.940 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760448685 MHIYWTZTSBMVFE-FQEVSTJZSA-N 439.564 1.676 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760520014 XUEHZORKRHNOKX-HNNXBMFYSA-N 442.545 1.665 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1764571245 HZEVYHNCZOLQCT-UHFFFAOYSA-N 445.531 1.768 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1765436198 CUQAOTPPXIOWQC-LEWJYISDSA-N 437.548 1.642 30 10 IDEE CO[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1769661362 HIKFUDCPGWEAFW-ARFHVFGLSA-N 442.586 1.268 30 10 IDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)ccc1OCCO 1769853519 DGAHLBMEAJPMNQ-GOEBONIOSA-N 428.493 1.253 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1770728626 RTBQJSDVOWQAMS-RVKKMQEKSA-N 446.449 1.877 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1770833574 VYHYCGGRJVVEFR-JQIJEIRASA-N 440.426 1.576 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1771267179 DEYVBUXBFJKWRL-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1771360660 CXWYLQQFBJUZIY-LJQANCHMSA-N 443.577 1.818 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)[C@H]1CCN(C)C1=O 1848937097 VXSOGDDDNMCDBE-IRXDYDNUSA-N 443.928 1.878 30 10 IDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1c(F)cccc1F)C(C)C)[C@@H]1CCN(C)C1=O 1849208125 NVJJOWYTJRJZCB-HZPDHXFCSA-N 429.489 1.513 30 10 IDEE CCCn1c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1849872698 BSEHTYHIYDEGCE-UHFFFAOYSA-N 434.500 1.283 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CNC(=O)c2cccc(Cl)c2)CC1 1851157514 SGMMVKZRAUGKGI-UHFFFAOYSA-N 427.892 1.702 30 10 IDEE O=C1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1CCc1ccccc1 1851940919 PFORTLDAHGVYJD-AWEZNQCLSA-N 431.436 1.948 30 10 IDEE CN(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1snc(N2CCOCC2)c1C#N 1852588751 QHRYXNZDJSUYBA-QGZVFWFLSA-N 439.541 1.905 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cc3n(n2)CC(F)(F)C3)cc1 1852597163 GQPPOXYSPWRFHQ-GOSISDBHSA-N 432.427 1.883 30 10 IDEE C=CCN(C(=O)Cn1nc(C)n(-c2ccc(C(C)(C)C)cc2)c1=O)[C@H]1CCN(C)C1=O 1852598835 YEJJBYKEVPACLL-IBGZPJMESA-N 425.533 1.885 30 10 IDEE CN1C[C@H](CO[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)OCC1=O 1853360743 HCYJMZGYRREDFL-UXHICEINSA-N 444.509 1.653 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCOC3)C(=O)C23CCCC3)cc1 1856313118 IVRTWTBOBGMJGP-QGZVFWFLSA-N 431.514 1.657 30 10 IDEE CCOC(=O)N1CCC(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1 1858422668 YMCLYRXMLJFGPM-MRXNPFEDSA-N 434.518 1.306 30 10 IDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1861766646 BNMPMODSYZRKIB-VQIMIIECSA-N 437.427 1.504 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2c(c1)OCCO2 1862592323 AHNHKHZHYMLVRI-HXUWFJFHSA-N 438.436 1.878 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)C(=O)O)C3=O)cc1 1867484426 JMSLGAYMOHRZTQ-SCLBCKFNSA-N 448.435 1.175 30 10 IDEE O=C([C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(CO)CC1 1869930299 WWLWUIFLZXLUPO-LJQANCHMSA-N 445.516 1.706 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c([N+](=O)[O-])c3)C2)CC1 1872942814 HRWUVAXSIJBEMX-OAHLLOKOSA-N 430.461 1.497 30 10 IDEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1CCCOC 1873556190 NZXQZNGTCIENKI-UHFFFAOYSA-N 442.564 1.396 30 10 IDEE COc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1 2041194834 ROVCUUZNRNULHO-OAQYLSRUSA-N 430.482 1.240 30 10 IDEE CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124524756 WDQBDAIQBOBBKT-INIZCTEOSA-N 447.341 1.717 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cccc(C#CCCO)n1 2145937957 KNWSFKDUVZFKSP-UHFFFAOYSA-N 427.482 1.634 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609165 DZPJCAXMSUJABJ-ZDUSSCGKSA-N 436.318 1.390 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255673031 NPXHLXQYMSBQRW-AGGWBTHJSA-N 430.314 1.371 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255819007 UIIZLOGOJGKYMG-CQSZACIVSA-N 434.346 1.801 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255840628 PGXFLSKRPGCKAQ-CYBMUJFWSA-N 435.334 1.244 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)CC(C)(C)O 2255950947 WXDZQEAMROUMNM-UHFFFAOYSA-N 449.382 1.681 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2267010427 TYYDYABQGQUQFH-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1OC 2326746892 QKELGJFYZXPFEZ-UHFFFAOYSA-N 443.485 1.757 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2337184489 QTPYYFLYDBHLFE-QLFBSQMISA-N 446.357 1.847 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@H]1NC(=O)C(F)(F)F 2337288996 DNHGIZPGXVXMKS-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE CC1(C)OB(c2ccc(CN3C[C@H]4CS(=O)(=O)[C@H]4C3)cc2Br)OC1(C)C 2377421344 AVUDFSOGXOYEGI-BBRMVZONSA-N 442.184 1.977 30 10 IDEE C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 10201438 IZFKUSFQWFBKMA-IWLCFIEUSA-N 437.496 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208051639 ZDUHMCNHHUFQLD-AWEZNQCLSA-N 439.343 1.559 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccc(O)cc2)C1 256033327 OQDWPLYVFWQKBP-KBMXLJTQSA-N 437.456 1.891 30 10 IDEE C[C@@H]1CN([C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)c2c(F)cccc2F)C[C@@H](C)O1 301309291 XLOJLSFJLOBDDJ-XNJGSVPQSA-N 433.459 1.496 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 410274151 VCTPBELRFDJBOD-VQTJNVASSA-N 433.578 1.493 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)n1 433562404 GUIJXQQFLRQNGY-INIZCTEOSA-N 448.936 2.429 30 10 IDEE CCCn1c(O)nnc1SCC(=O)N1CCN([C@@H](C#N)c2ccc(OC)cc2)CC1 444401466 GOHXSZSTNFHYQM-KRWDZBQOSA-N 430.534 1.903 30 10 IDEE Cc1ccc(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)cc1S(=O)(=O)NCC#N 482341765 CMXIOXDFCUSSNQ-OAHLLOKOSA-N 437.468 1.656 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@H]1CCCO1 507077413 GVKAKLFHAIMMCZ-QGZVFWFLSA-N 429.517 1.566 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C)CC1 507929532 IFTFRYKBGYRGDE-UHFFFAOYSA-N 428.537 1.702 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)cc1 508633611 CCEUABCQPXGWRZ-AZUAARDMSA-N 439.516 1.334 30 10 IDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508957144 WYQYCFMIPLNMTR-UHFFFAOYSA-N 433.578 1.852 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(C[C@H]2CCCO2)c1=O 512719738 FEGZYRGVKZWGIO-GOSISDBHSA-N 440.569 1.958 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCN(C)[C@H]3c3ccc(F)c(F)c3)CC2)o1 517548443 QPJOWAPPJOQGBT-RXVVDRJESA-N 444.486 1.817 30 10 IDEE C=CCOc1ccccc1CNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 561938949 ICQAOUQAQNDLKI-UHFFFAOYSA-N 443.525 1.724 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)CC1 588767845 KTSUMQHIAXWHGE-IYBDPMFKSA-N 436.582 1.204 30 10 IDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 611091131 KANGFSWZHKWHGZ-ZDUSSCGKSA-N 430.983 1.858 30 10 IDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCCO)cc1 703975610 WQBXUUFQZLVCRG-INIZCTEOSA-N 426.494 1.697 30 10 IDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)c1 729672990 BHEQVNPZLBZDHW-UHFFFAOYSA-N 444.578 1.444 30 10 IDEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 730559383 HIUOIFADYPGMHG-UHFFFAOYSA-N 436.534 1.583 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 731070094 GOEXXFSXMRYMJP-CKXPSTMWSA-N 442.497 1.531 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 758428113 SDEGBYTZOHWYMF-CYBMUJFWSA-N 427.479 1.817 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C[C@@H]1CCCO1 758556040 FHUNBYQOAHIJQC-AWEZNQCLSA-N 446.598 1.696 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1-c1ccccc1C 758566177 NOUYRNRGRNGFBZ-UHFFFAOYSA-N 445.548 1.452 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccn2)C(=O)OCC)ccc1F 759483148 FNEFTIHBZJOZSU-QGZVFWFLSA-N 435.477 1.589 30 10 IDEE COc1ccc(CNC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1C#N 767240940 RSLQRURYKNWWKH-UHFFFAOYSA-N 443.529 1.970 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1F 771542049 XJSOZJFRECDJQV-HNNXBMFYSA-N 431.497 1.501 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)CCC2 771547777 KCHYUIHVJOJSES-QGZVFWFLSA-N 439.545 1.542 30 10 IDEE C/C(=C\C(C)(C)C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772816289 UPERZMJVHSMIRX-DTQAZKPQSA-N 433.530 1.927 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 774051722 FGLUXEDJTUREGQ-WMLDXEAASA-N 435.502 1.022 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)cc1C 782805604 FTAXNXUSGQTSPL-MRXNPFEDSA-N 444.565 1.027 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)ccc1F 788837331 NZPFYAVGRRJFME-UHFFFAOYSA-N 446.504 1.386 30 10 IDEE N#C[C@@H]1C(CN2CCCN(S(=O)(=O)C3CC3)CC2)=CC(=O)n2c1nc1ccccc12 801979919 SKFQJRXKTFKLSC-QGZVFWFLSA-N 425.514 1.724 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@@H]2CCOC2)CC1 802759734 RKYGRCXUVUDKDU-FQEVSTJZSA-N 438.532 1.496 30 10 IDEE CCCCC(C)=NNc1nc(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)n[nH]1 1083990486 ZAVHXODWVDPSES-UHFFFAOYSA-N 435.558 1.911 30 10 IDEE COc1ccc(O)c(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)c1 1084479200 NRXHKYVPUVSFDZ-UHFFFAOYSA-N 446.493 1.880 30 10 IDEE CN1Cc2ccccc2[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 1131378379 QIZNBYOSIHYDEO-ICSRJNTNSA-N 431.452 1.593 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ncc(Br)s1 1152723249 SQXPXHMOCCJKCD-SECBINFHSA-N 429.321 1.760 30 10 IDEE COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1171306004 FAVXJHVPQUVSRZ-LJQANCHMSA-N 437.500 1.658 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1174641518 KGDXLNMHZZUXIG-WMZHIEFXSA-N 444.532 1.642 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]2C[C@H]21 1179740191 RKMXWNDGPQJLGT-IAGOWNOFSA-N 434.518 1.712 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 1256626163 JORLAMGRMOISOU-ZWKOTPCHSA-N 447.605 1.985 30 10 IDEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)Cc1ccc(Br)cc1C#N 1270450620 QRRMVLASVZKYFC-UHFFFAOYSA-N 437.338 1.112 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCC#C)CC1 1286354718 SYYJYKUZVPFNEI-UHFFFAOYSA-N 429.528 1.896 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1286454672 ZTTRXZXZLZCTEP-QGZVFWFLSA-N 441.561 1.776 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCN2CCCCC2)CC1 1286480442 WVXODWVNIXCADB-FQEVSTJZSA-N 427.597 1.641 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286504992 UEWSAEONDGUTON-UHFFFAOYSA-N 448.618 1.875 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286536009 HQFGCBYXJJSDKF-LBPRGKRZSA-N 427.328 1.657 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1286538113 JCKGRVCXKJDVEK-ZDUSSCGKSA-N 428.331 1.973 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286548756 ZEKCZFDVAMIRAF-QZTJIDSGSA-N 442.358 1.929 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286614404 REBDCRUWUHVRPA-LLGFUMIMSA-N 435.525 1.458 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286782780 GHGCEYGWVUZQPN-NRFANRHFSA-N 444.923 1.626 30 10 IDEE CC(=O)NCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1286953024 VGZWXTOOLAQZPQ-DOTOQJQBSA-N 449.556 1.851 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1287034312 JFCLTUCYUVEJSN-UHFFFAOYSA-N 425.537 1.780 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)C1CC1 1288116799 JCGZZCNKYMHWAZ-OAQYLSRUSA-N 425.493 1.112 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)CN1CCOCC1 1288705043 IJBDAABXTKPXGC-LJQANCHMSA-N 438.580 1.963 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOCC1 1300626895 ZGDVNZUGLXIUFI-UHFFFAOYSA-N 438.580 1.634 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(C)(=O)=O)CC1 1300690781 JASWTXFWETVOSF-UHFFFAOYSA-N 437.953 1.407 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NCCC)CC1 1300691458 ZNVWUAKAJNSMPB-UHFFFAOYSA-N 438.532 1.388 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(OC)c2)CC1 1300706773 SAQQQXMRUABTHF-UHFFFAOYSA-N 438.532 1.221 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300743497 RYQUPPACBYRAQE-HNNXBMFYSA-N 429.546 1.996 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 1301482346 VOKVNRDJXDBBNB-CABCVRRESA-N 430.484 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccccc2[C@H]1C 1301584726 CPTYFCPPBHZSKY-QAPCUYQASA-N 429.546 1.954 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1302374501 OAGHLBDCJKALEG-UHFFFAOYSA-N 441.509 1.861 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1306498127 HPMZNKLRRSNUNE-GOSISDBHSA-N 433.520 1.879 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@]3(CO)COCC4(CCC4)N3C)ccc2c1=O 1306877839 KYONSVZBRJEATG-QFIPXVFZSA-N 444.557 1.217 30 10 IDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1309773637 JBWIHCYABXDWIU-UHFFFAOYSA-N 426.488 1.399 30 10 IDEE CCCNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1313484712 UFJAUEIFWXRMAM-SFHVURJKSA-N 442.593 1.727 30 10 IDEE CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C#N)cc1 1315072437 FLFDIKMTSNVSEF-UHFFFAOYSA-N 442.549 1.197 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315911141 MRKHMXCIRXVQND-SLNYWTKHSA-N 447.499 1.816 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1316357687 XRMQZBWELLHFIE-RBUKOAKNSA-N 444.561 1.761 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(C(N)=O)c2)c1 1319188213 SLZXBGNFNAVPJH-FXBPSFAMSA-N 436.515 1.399 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1358885527 LQUXRAXIUMRCDX-NXHTTZLHSA-N 436.516 1.673 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358961144 SGHNWFOAJSKESW-GOSISDBHSA-N 432.550 1.122 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962301 NMWVKRDPDMRFCR-OLZOCXBDSA-N 447.483 1.444 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC2CC2)CC1 1359038854 NDJMEXKXSBCEDF-UHFFFAOYSA-N 436.560 1.755 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCC=CO2)CC1 1359041140 OHLKPPATQNWEAA-IEBWSBKVSA-N 431.537 1.661 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOCCC(C)C)CC1 1359044158 XJPHVMJKLXPZNM-UHFFFAOYSA-N 427.553 1.707 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1359057217 VNDFZGZZCYBICO-INIZCTEOSA-N 442.607 1.178 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCC(=O)NC)nnc1[C@]1(OC(C)C)CCOC1 1359105269 MCTKYOSJPZKWAU-JLMWRMLUSA-N 435.569 1.872 30 10 IDEE C=C(C)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1359125096 PCCJAQVBGNXETP-IERDGZPVSA-N 432.525 1.273 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1359126216 IZSPKJAZWPUCGA-UHFFFAOYSA-N 448.597 1.886 30 10 IDEE C=C(Cl)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359157756 SWHLZRHVYBZDLY-APWZRJJASA-N 427.933 1.413 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359226064 VOCSBENPLPAPIN-KRWDZBQOSA-N 440.508 1.094 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359291533 USSVUGAXBNETMN-HZPDHXFCSA-N 426.525 1.147 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359294790 FDQQIEHOUHNIBD-NRFANRHFSA-N 440.529 1.134 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359333569 BXIVKEIVCXRKNZ-SFHVURJKSA-N 447.536 1.420 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 1436179412 MKWLTJFNTSUSSI-FQEVSTJZSA-N 430.486 1.482 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@H]2c2cccc(C)c2)ccc1F 1437969095 IQFYZJAHBHNJND-LJQANCHMSA-N 431.489 1.912 30 10 IDEE CC(C)(c1nnc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)o1)S(C)(=O)=O 1440687812 XFFNAQPQLDDVOG-HNNXBMFYSA-N 435.481 1.511 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1443536106 ZTRRHRMOAAEUMB-XDOYNYLZSA-N 444.447 1.739 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1453075261 NQPNSDGXYWOHJN-LJQANCHMSA-N 449.573 1.844 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1470597342 MCCHLXQKOWETIM-INIZCTEOSA-N 427.486 1.020 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1496313997 DOUMRUXCGMFGQT-INIZCTEOSA-N 449.519 1.285 30 10 IDEE CN(CC(F)(F)F)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503452535 GSPJWRFXAZTSSA-MSUUIHNZSA-N 435.410 1.789 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nncn1C 1504872646 FWRRFGSZTOCMAD-UHFFFAOYSA-N 437.508 1.118 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1504906170 PPNCEGGTKHJGQH-HOCLYGCPSA-N 431.566 1.725 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1507520263 BXEDYJNVOXTIJE-IVZQSRNASA-N 429.521 1.495 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1507632399 KSNPAYOEOCQHEB-DLBZAZTESA-N 433.578 1.682 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1507635895 WCDOBTTUSKIICS-IBGZPJMESA-N 436.541 1.642 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1507740767 YVPWPBBMLLTLCB-GHTZIAJQSA-N 436.560 1.902 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507945876 LVKJMXORQDKDDB-UHFFFAOYSA-N 426.569 1.779 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507953139 CNFCATYINTXGAS-OXJNMPFZSA-N 434.566 1.632 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCN(CC)CC1 1507972580 JCGABZOJSOQPIE-UHFFFAOYSA-N 446.621 1.998 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1508020815 QOKCCVJYDYPRDE-ABSDTBQOSA-N 439.582 1.341 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1508128203 ZBZQCHOPSNSBSN-RCCFBDPRSA-N 439.582 1.235 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1508770560 CBNPIRMWNHUVRC-UHFFFAOYSA-N 434.508 1.198 30 10 IDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1517331677 JNGZAAOHEGMGOL-FQEVSTJZSA-N 440.548 1.924 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CCOCC1 1517869142 DEUIHYKICIARJT-UHFFFAOYSA-N 446.458 1.584 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C#N)o2)CC1 1518644862 LHPOLNLGGHRCKM-UHFFFAOYSA-N 436.472 1.762 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1NC(=O)CC1(C)C 1519167330 AQZZYWDUXYEMJO-MRXNPFEDSA-N 431.566 1.915 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN2CC=CCC2)cc1 1521102117 OHQJZIOKMZOMRJ-IBGZPJMESA-N 435.532 1.692 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(C#N)c(Cl)n4)CC3)C2=O)n(C)n1 1522239979 WZTAYWLLXPAVJN-KRWDZBQOSA-N 441.923 1.602 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)C4CCC4)cc3)CC2)c1C#N 1523173493 ADJYTGNREOVZCF-UHFFFAOYSA-N 427.530 1.889 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1524723912 GHWJODSHCGOBSQ-YPENRWOSSA-N 443.891 1.401 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539225823 QFQHLZQBSKRHDN-DLBZAZTESA-N 435.575 1.440 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1539279242 ZHIFQFQNHHPFNC-SFHVURJKSA-N 442.541 1.906 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N2CCNC2=O)cc1 1539706120 ZZJSVBMVIDXJCF-UHFFFAOYSA-N 427.486 1.674 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCn2nc(C)nc2C1 1540865267 ZXTYYPNRJVUUAW-UHFFFAOYSA-N 444.446 1.769 30 10 IDEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1541195229 HDYDYZIMZJQROI-UHFFFAOYSA-N 433.520 1.913 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1555996428 SOXTUKKVQYGGEF-VZCXRCSSSA-N 432.488 1.997 30 10 IDEE C#CC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)OC 1556970895 LKVQMJDSVFFCHA-KBPBESRZSA-N 426.256 1.880 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C[C@H]3CCCCN3C2=O)s1 1557629790 DQKFNIUBZDJJBL-CQSZACIVSA-N 426.564 1.161 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3C)CC2)nn1 1564958408 RWBDAFIPIPSXPF-SFHVURJKSA-N 426.521 1.902 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)Cc1ccccc1 1587561743 HYQDASMZWUPZNY-KSZLIROESA-N 432.594 1.867 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588045717 PGQCYPCBBBZVDN-LJQANCHMSA-N 443.573 1.734 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1588079228 SUGROVRUPYVQLS-UHFFFAOYSA-N 448.575 1.272 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589305972 VEDUAYBVYSAMRW-KBPBESRZSA-N 430.347 1.968 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC)CC1 1593722680 VNKKXSIYCVRMFY-UHFFFAOYSA-N 428.493 1.728 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1595577233 LZYYJSCWMJFAQR-SFHVURJKSA-N 426.521 1.491 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595602825 RVEKGWVSWYXRPP-WMZHIEFXSA-N 447.580 1.874 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1611308327 OATSYJMIWVLERS-OWCLPIDISA-N 431.518 1.759 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)COc2cccc(C#N)c2)C1 1611546233 LOQMMOASMNVALQ-KRWDZBQOSA-N 437.518 1.477 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1618879068 FKESSEIWMGQDQJ-ZBBYCGENSA-N 442.520 1.537 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c(OC)c1 1619271500 IASIAMGSPFGATM-UONOGXRCSA-N 436.538 1.550 30 10 IDEE COCCOCCCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1620073123 RNCSSVJAIJHYBR-UHFFFAOYSA-N 442.568 1.839 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1622017993 IDGZVAPDPRLHNR-HXUWFJFHSA-N 441.557 1.212 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1 1624442728 LMRGQUAOAHKTOG-IWKHNONTSA-N 426.473 1.386 30 10 IDEE CN1C(=O)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1633138507 BOISAQGPEOBKEV-GOSISDBHSA-N 431.452 1.768 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1635555675 RFSIUWLDHRSRMG-JKSUJKDBSA-N 428.555 1.600 30 10 IDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C(=O)OC 1638827904 YJQHDVUDQXIHNJ-HNNXBMFYSA-N 446.447 1.787 30 10 IDEE C=C1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)C1 1640312206 LPXWXVCSXODYAY-UHFFFAOYSA-N 441.937 1.360 30 10 IDEE C=CCNc1ncc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)s1 1641003986 CERIWXOWKXLCEF-UHFFFAOYSA-N 435.575 1.477 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCC#C[Si](C)(C)C 1641159483 YFLPQUICJGTVET-KRWDZBQOSA-N 438.622 1.615 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c1 1641385890 UUPDFYGTDKJXIY-ZIAGYGMSSA-N 440.465 1.198 30 10 IDEE CC(C)(C)OC(=O)[C@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1643814320 IBITXXBVNSJLAN-IAGOWNOFSA-N 434.562 1.499 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)c1 1646347464 IURDWAGICNFPOG-UHFFFAOYSA-N 438.465 1.931 30 10 IDEE C[C@H](CC(=O)NCc1cc(Br)ccn1)/N=C1/NS(=O)(=O)c2ccccc21 1648825949 BEYLHKQDUMRCGN-LLVKDONJSA-N 437.319 1.978 30 10 IDEE C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1651765684 PSXQZNKSWKGOHL-NRFANRHFSA-N 425.466 1.541 30 10 IDEE N#C[C@]12CN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)C[C@H]1CS(=O)(=O)C2 1653072534 CXLWBQPNPLXEHD-BLLLJJGKSA-N 426.376 1.766 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](CO)[C@@H](CCO)C2)cc1 1655116888 QPBLWAAAVIILAE-ROUUACIJSA-N 426.517 1.836 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(F)cc2N2CCCCC2)CC1 1662347475 SRRSGZORWMERSI-UHFFFAOYSA-N 441.504 1.572 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(CN4CCNC4=O)cc3)C2=O)cc1 1686341147 DHBFEEZBLGRCIU-NRFANRHFSA-N 446.511 1.684 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)C1CC1 1689835779 SKLXFGDOUABQDS-AWEZNQCLSA-N 427.505 1.955 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1689985713 ABHJNJQWXKIKQP-SFHVURJKSA-N 429.546 1.487 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689989457 FSYHDUXUXVGXSU-LZJOCLMNSA-N 448.545 1.300 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1689990203 MUMSSVHFHPHRHR-INIZCTEOSA-N 447.561 1.403 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1690091519 WICPHDWCCVFCDF-DYESRHJHSA-N 448.520 1.111 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690180530 HCXKTLXTWMFXGW-QGZVFWFLSA-N 432.594 1.510 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1690372118 ATPAMDRGNSHLIK-QGZVFWFLSA-N 444.561 1.684 30 10 IDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1690601107 QKHVIBBVOIKRGE-UHFFFAOYSA-N 430.534 1.307 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1ccccc1CC 1690670890 LLZSAPZMBCMZLA-KRWDZBQOSA-N 426.521 1.722 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1690724674 UFXREUHKIHRSFZ-UHFFFAOYSA-N 431.566 1.653 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1692569769 YPFRLEWTMULFGM-LJQANCHMSA-N 441.511 1.992 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1698060539 CAHPIKSIMXCUIQ-GOSISDBHSA-N 449.519 1.738 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705568669 SOEUAWMUJRVWTP-AVRDEDQJSA-N 446.573 1.687 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1705569671 FPVKONJOKBANHA-CQSZACIVSA-N 426.493 1.743 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)c2ccccc2)CC1 1705639415 NKYJHZPIAYUOHW-QGZVFWFLSA-N 449.527 1.727 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705694268 QAJFNNPIQJWZAX-ZACQAIPSSA-N 437.566 1.119 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1705862614 PYIJVXNKCVCAIW-SFHVURJKSA-N 442.495 1.420 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1705895047 RUBHJFBBTIUXNP-IBGZPJMESA-N 439.564 1.429 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705944042 SSPMHWYPEIMFKT-SJORKVTESA-N 431.566 1.559 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1708257975 SXJVGBOMHFNQEX-AOMYARPXSA-N 426.452 1.836 30 10 IDEE CCc1nnc(N(C)Cc2ccc(OC)c(O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1709036357 GFTBDXWPTRWTIX-FMQUCBEESA-N 426.477 1.718 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1710097663 ZPJAHYYCGWVZAE-HSZRJFAPSA-N 448.531 1.967 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1711203976 UKJDPYRJEGDXRU-GOSISDBHSA-N 433.534 1.493 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCOCCCO)c1 1712879378 YJXOQVRZEGHOMB-MSOLQXFVSA-N 426.477 1.150 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)CC1 1712885170 BGSVMUUJDCJTGG-HNNXBMFYSA-N 431.509 1.982 30 10 IDEE C#CCN(c1nnc(C)n1CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1722362664 BQCMGJRDHLXIFD-GOSISDBHSA-N 444.557 1.962 30 10 IDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1722372286 SZDJHKYERWKWGW-GOSISDBHSA-N 444.557 1.626 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCOCC1 1722387964 SZLHHVOYSJDZHT-UHFFFAOYSA-N 448.571 1.760 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2nc(C)no2)CC1 1722441198 NNKFXMZNEYUMSB-HKUYNNGSSA-N 429.525 1.082 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722480817 TWXZHPLHYJMRLV-QWHCGFSZSA-N 437.360 1.534 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1csc(CC)n1 1722689830 ATKCYDKOEGPGBT-UHFFFAOYSA-N 440.533 1.883 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722696323 IWFIXLJRGXDYFH-UHFFFAOYSA-N 448.487 1.877 30 10 IDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)n(C)n1 1725840566 GEWCOBHKOOLDDY-UHFFFAOYSA-N 447.547 1.117 30 10 IDEE C[C@H]1CCCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1726575229 APEDYUXTXQDHMJ-RBUKOAKNSA-N 429.569 1.755 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1OCCC1(C)C 1729065742 PXFQKUJVDHSAKH-SFHVURJKSA-N 442.568 1.870 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740567066 NOSXGTKJDIAUDO-UZLBHIALSA-N 449.581 1.177 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(CC)c1 1740611193 WOFIJWUIVNTBGI-QGZVFWFLSA-N 429.525 1.921 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740627863 SXUWOPRQWLRUOD-MSOLQXFVSA-N 432.550 1.123 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740707103 OVHBHKXWXFTULQ-MHECFPHRSA-N 436.560 1.781 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCN(CC)CC 1740731646 FEAWKLPUKYQAGF-GHTZIAJQSA-N 437.610 1.531 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740793341 RDCHMPGMVKCLAW-LAUBAEHRSA-N 429.525 1.307 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1740795897 HUMCMGDERFRVLL-UHFFFAOYSA-N 432.569 1.688 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740883370 RGSCVNFJTFFPOW-QFIPXVFZSA-N 439.520 1.747 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740990378 SNFCPXWVWIWDOI-TWOQFEAHSA-N 448.549 1.109 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1741126575 TYQATMALCILQIP-CQSZACIVSA-N 433.494 1.485 30 10 IDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C(C)C 1746330676 AXLXCGBFOPNTTO-GOSISDBHSA-N 425.537 1.771 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1748392263 DQDOTAQAAYZFPI-KRWDZBQOSA-N 434.504 1.880 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1748957211 YNQCGEYBPFEWGC-KRWDZBQOSA-N 432.546 1.865 30 10 IDEE C=C(Br)Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749112822 QFPBRAWSYFTOMH-SFHVURJKSA-N 442.358 1.896 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1749455047 RHADVSAUXJEUHE-QFIPXVFZSA-N 437.504 1.888 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1749575580 UUJABPOMTONRTO-OAHLLOKOSA-N 428.580 1.183 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(OCC(N)=O)CC1 1749661156 ZUZONENLTUKEHX-UHFFFAOYSA-N 449.515 1.266 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(F)(F)CC1 1750418111 IGFJNEIRAMZVAY-ISLYRVAYSA-N 449.462 1.162 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750449558 RWGGQCZQHACPEM-VRTBNJGNSA-N 438.536 1.279 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)C(=O)C1 1760133385 CJBWRANAXZCTKV-UHFFFAOYSA-N 449.519 1.019 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760146448 MYXVZEQSNLHFPY-YCRPNKLZSA-N 432.525 1.230 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760185095 PMSZDBGASOJKBX-LPHOPBHVSA-N 427.530 1.726 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760191418 GZTZGVHHDHCTIE-BZSNNMDCSA-N 433.578 1.463 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1760200719 ATMRRGJUSNGRGP-UHFFFAOYSA-N 443.555 1.674 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(C(N)=O)nc1 1760251054 QVSYETJURDVKNI-UHFFFAOYSA-N 443.511 1.909 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2n[nH]c(C)n2)CC1 1760254777 KOZRPQQLVYTDEA-UHFFFAOYSA-N 444.341 1.460 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCO)CC1 1760255755 PAALQBYMMXHRRH-UHFFFAOYSA-N 431.562 1.266 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760523539 BGDDOKYLSKTOGJ-IAGOWNOFSA-N 448.568 1.825 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760863142 FLQIUIWNNORQKT-HXUWFJFHSA-N 432.550 1.305 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCOC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1762116713 KSLGIMPTMJPPMJ-BFQBXFRASA-N 436.516 1.929 30 10 IDEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)s1 1762487390 MZOJFCJCWIOQPG-DYVFJYSZSA-N 439.542 1.415 30 10 IDEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1764306661 DJIJWXUHXNJMHQ-UHFFFAOYSA-N 445.593 1.630 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCn1cc(Cl)cn1 1766395776 AXXWLDVUHBAXRX-UHFFFAOYSA-N 441.927 1.958 30 10 IDEE CN(C)c1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1768494732 SYMJOMMKIOXVNO-UTKZUKDTSA-N 446.552 1.931 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C#N)o2)CC1=O 1769894260 TWZJRXHQIULMBG-UHFFFAOYSA-N 436.472 1.762 30 10 IDEE N#C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)CCO1 1851076839 SLKMSJVUAFFHCU-PKOBYXMFSA-N 433.917 1.981 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc(-n3cnnn3)cc2)cc1 1852217596 NNNHZVSZAVZVFZ-NRFANRHFSA-N 434.456 1.471 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1856412618 UMAXLIFKOJLTGE-ROUUACIJSA-N 432.546 1.450 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)cc1 1858376519 PAEFLLPXIANKMJ-QGZVFWFLSA-N 426.498 1.909 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(OCC)cc2)cc1 1858963774 VZWNHIOOOLQJFA-UHFFFAOYSA-N 446.481 1.829 30 10 IDEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN(CC)CCO 1870378451 YESYVNLFEDSLSN-UHFFFAOYSA-N 425.485 1.524 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2060632669 DQCZKMWAVPNPFH-HZPDHXFCSA-N 435.374 1.994 30 10 IDEE CN(OCC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243676555 KTJJTZGUWPUWBZ-UHFFFAOYSA-N 427.332 1.857 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248405483 RJKNJLVSETXHFN-CYBMUJFWSA-N 440.371 1.939 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248478954 ADZZKKXGNMCWBT-RYUDHWBXSA-N 438.359 1.891 30 10 IDEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1NC(=O)OC(C)(C)C 2255627464 TXYDUMFLCLIICR-UONOGXRCSA-N 436.318 1.073 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)n1 2255653644 LSFLWEPPTCPIHD-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE Cn1cc(C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255821259 CBIKTXQUZHVBAA-UHFFFAOYSA-N 436.362 2.000 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2255852763 IKFBRUQGKFPWNT-WIEQDCTASA-N 440.346 1.583 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255855020 JSXMBFJQPSYULP-KBPBESRZSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](O)C1 2255861604 CUFVWXWFYOJDND-BBRMVZONSA-N 435.330 1.272 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864398 VPOOWEWLZWJOFJ-WCQYABFASA-N 429.248 1.843 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCC(=O)NCc3ccccc3)c(O)cc2O)OC1(C)C 2256017694 SXFDSWJUGZGBDX-UHFFFAOYSA-N 426.278 1.443 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256624895 YWAHUEAJLXSVHJ-BXUZGUMPSA-N 439.293 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]21 2267097896 TZEGXNWPSOCFFF-GJZGRUSLSA-N 448.329 1.169 30 10 IDEE Cn1cc(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267199143 ICNOKOYHOGRKDS-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2267268918 AXULMINHCCMQNN-CHWSQXEVSA-N 449.361 1.536 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267872722 VEXNTIFPKAVHIC-LBPRGKRZSA-N 442.247 1.307 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](O)C1 2268629270 UKGIIWWFRHKZIM-GJZGRUSLSA-N 447.341 1.937 30 10 IDEE C[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)CC1(C)OCCO1 2282861933 WLBSPDYNTVHHGB-AWEZNQCLSA-N 426.344 1.448 30 10 IDEE Cn1cc(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2312859745 DOSSLJGHVYKTGD-YUELXQCFSA-N 432.330 1.457 30 10 IDEE CC(=CC(=O)NCC(=O)Nc1ccc(C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2332114996 KISTUOBCOHRMGM-UHFFFAOYSA-N 426.498 1.967 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)n1C 2337189253 ZBCWQAGPPXVHEF-NWDGAFQWSA-N 442.247 1.015 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1 28645368 SDESVICQPHUWJE-OZSKJFCKSA-N 438.484 1.593 30 10 IDEE C=CCN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CN(CCC(=O)NC[C@@H]1CCCO1)C2=O 35964536 QVUGCFWWPYWNCY-UWJYYQICSA-N 442.491 1.860 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 59886880 RRJQINNJIMKSTE-QGMBQPNBSA-N 445.465 1.733 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccn2)c(C)n1 102753560 LVQRDRYTPDRXQI-GOBJLOIFSA-N 437.500 1.632 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1Cl 316047021 HMVBNXKCWHSIQA-LLVKDONJSA-N 426.741 1.914 30 10 IDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1C#N 438226528 CHSIOJGKEWPDRC-UHFFFAOYSA-N 430.412 1.575 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447278085 LSWZYVLZOVAXDB-UHFFFAOYSA-N 440.475 1.808 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 466104288 FVWZVCUVKFZZAZ-UHFFFAOYSA-N 439.491 1.833 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 481491816 LRXADZDDCSWMTP-MRXNPFEDSA-N 446.573 1.913 30 10 IDEE C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)N1CCN(c2ccccc2)CC1 503152071 MGTBAPHHHRHUDO-HXUWFJFHSA-N 433.560 1.996 30 10 IDEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 506961307 HHRRARKVOQVDKG-SJORKVTESA-N 431.518 1.470 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1OC 549288273 SIJXEAPYGJXNTF-LJQANCHMSA-N 449.577 1.875 30 10 IDEE C=CCSCCNC(=O)C(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 552505109 BQEOAZOKJCBYAD-QGZVFWFLSA-N 439.965 1.734 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 561701247 WUHPTEKGAYMVRR-QGZVFWFLSA-N 432.502 1.731 30 10 IDEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)s1 563735479 YALJIFYIYSHOTR-ZIAGYGMSSA-N 442.549 1.862 30 10 IDEE CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 564513509 NYOWOUGHFFSDHN-UHFFFAOYSA-N 432.481 1.697 30 10 IDEE N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(C(F)(F)F)c1 579780810 KFQVLNZNEVBCCE-UHFFFAOYSA-N 442.419 1.775 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1CC(C)C 581461419 OLRFVAPKSUDLQQ-UHFFFAOYSA-N 434.443 1.705 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669804361 XNIGYBIVPYRMQP-FXAWDEMLSA-N 445.612 1.761 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(C)C)cc1 727415525 UAWMWQSBWIJKSR-UHFFFAOYSA-N 437.521 1.881 30 10 IDEE CN(CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccoc2)c1=O)c1ccccc1 727417953 UECNAOPRTNWUPS-UHFFFAOYSA-N 448.548 1.811 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 730141253 IUGLHEGTRYZGGQ-NVXWUHKLSA-N 433.578 1.519 30 10 IDEE C#CCCNC(=O)C(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 733673230 UDEHUEBLNCHNIV-UHFFFAOYSA-N 445.479 1.815 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757487636 UTUZDXNPJFZTOR-QVKFZJNVSA-N 436.464 1.869 30 10 IDEE COc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1 759718766 PLKMRQUHHXHZNA-LYBHJNIJSA-N 444.513 1.877 30 10 IDEE C#CCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)[C@H]1CCS(=O)(=O)C1 765009453 DIGWIXQWYPXOOG-SFHVURJKSA-N 448.541 1.018 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 774261652 JHPCTJUTSRAXHI-FDQGKXFDSA-N 441.912 1.583 30 10 IDEE COc1ccc([C@H](CNC(=O)[C@@H](O)c2ccc(C#N)cc2)N2CCOCC2)cc1OC 780864030 VJIDRBNVOWBBGJ-UGKGYDQZSA-N 425.485 1.799 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(C)C)c2=O)c(C)n1 781648870 LMISXEWQZJOQQJ-UHFFFAOYSA-N 442.585 1.862 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F)C2=O 786558474 CYQQYUZCISKEGW-AQWKHSIFSA-N 432.427 1.791 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3C)n1 790108344 YLCSJMOQLUAYMH-UHFFFAOYSA-N 436.472 1.030 30 10 IDEE CCOc1ccc(OCC)c(NC(=S)NN=Cc2nccn2S(=O)(=O)N(C)C)c1 814830786 SOYFCAUPXVZKDK-UHFFFAOYSA-N 440.551 1.656 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915448009 VCOVREWNOXVTJP-LLVKDONJSA-N 431.308 1.842 30 10 IDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 916775187 JOOSYSSRLRWYNS-SPLOXXLWSA-N 446.529 1.641 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(S(C)(=O)=O)s2)c1 1125488758 CKECGRJQTDCAMX-UHFFFAOYSA-N 432.523 1.639 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 1132451925 LHWDILBXBKFGIZ-UHFFFAOYSA-N 431.308 1.918 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C(F)(F)c2ncccc2Br)CC1 1144025382 ASSYKWMNPYDOCQ-UHFFFAOYSA-N 429.265 1.220 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC#N)C(F)(F)F 1156053949 XOWICKGOSGEGCS-STQMWFEESA-N 439.843 1.834 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)n1 1230369063 HGZRTHGNCWWGJJ-KRWDZBQOSA-N 429.496 1.800 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1286386915 JPPRCJILYRAAHM-LJQANCHMSA-N 445.589 1.458 30 10 IDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1286446846 JRQZGXRAZPZLMN-QFIPXVFZSA-N 426.590 1.931 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCC(=O)N(C)C)CC1 1286484389 NCXANLFYPYBQJU-UHFFFAOYSA-N 440.548 1.489 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C(=O)NCC)CC1 1286490170 HTRHTCFWONNHFG-SFHVURJKSA-N 444.580 1.648 30 10 IDEE C=C(C)COCCn1c(C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1286600705 PNFMKOHEFIYGFE-UHFFFAOYSA-N 429.550 1.571 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286623715 LWLYUMAUAYAIPI-UHFFFAOYSA-N 446.939 1.879 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286821726 TVNFEBDQEHAOPQ-RBUKOAKNSA-N 443.573 1.493 30 10 IDEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)C2)c(F)c1 1288501142 LJAIIVCZQOVALQ-ZDUSSCGKSA-N 428.445 1.888 30 10 IDEE CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1292263982 MJPJIBRPVSPLNS-YJLNNSPDSA-N 442.520 1.962 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)[C@@H](C#N)C1 1294435950 KQVMYESKLAOKKQ-DOXZYTNZSA-N 443.422 1.769 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1295335608 CVDBXBDOJDNQGW-UHFFFAOYSA-N 439.564 1.578 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300340222 WUYOYALJNYGGPQ-DOTOQJQBSA-N 435.554 1.003 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1300457391 CQDPINPLUVKPIT-AOMKIAJQSA-N 430.553 1.940 30 10 IDEE C#CCN(c1nnc(C)n1CCc1cnc2c(Cl)cnn2c1)[C@@H]1CCS(=O)(=O)C1 1300484556 QGCLGRLWBIYKLE-OAHLLOKOSA-N 433.925 1.152 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300494088 YJYHUGBILFVHMX-GOSISDBHSA-N 433.582 1.037 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1300653359 KSKAQKXCLZNJKA-SIKLNZKXSA-N 448.564 1.948 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)CN2CCCC2)CC1 1300683317 ZMKMSJBSULFMEC-LJQANCHMSA-N 429.613 1.684 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1300813171 CYFXFSZBISRCOD-JOCHJYFZSA-N 428.581 1.628 30 10 IDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300961369 IBGMANHTSPCEGG-GOSISDBHSA-N 439.564 1.746 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1300989807 GRYBUACXBZBWHE-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1308088259 FPLSIUUWOWZDGQ-UHFFFAOYSA-N 441.981 1.576 30 10 IDEE CCN(CCCn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1313800616 FFXKDPOESXXGNH-LJQANCHMSA-N 435.529 1.377 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)CC2)c1 1316532996 DIOZMIZGVDZFCM-OAHLLOKOSA-N 446.462 1.104 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C3CC3)cs2)CC1 1359029518 ZRNFGNKSJVSVAB-CQSZACIVSA-N 449.606 1.026 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CCOC)CCC2)CC1 1359030787 FVGNBAIWPDWWAX-QHCPKHFHSA-N 431.581 1.892 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCC(=O)N(C)C)CC1 1359037277 CPSYVLXKDLZSMD-UHFFFAOYSA-N 433.560 1.974 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1359056495 GKCGXRHVUXWTNY-KRWDZBQOSA-N 439.651 1.857 30 10 IDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359059003 XRBPSYAIFRSZSJ-FQEVSTJZSA-N 427.574 1.885 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359100575 DDIKEWKYGRGWJY-UZKOGDIHSA-N 440.548 1.586 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359131656 APLWJICBHKOEGE-QGZVFWFLSA-N 426.525 1.247 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359136143 AURGGEYJWYTQTH-IBGZPJMESA-N 429.521 1.709 30 10 IDEE CC(C)(C)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1359525278 YDABOXWOMZQUDQ-FYPAYUBKSA-N 444.536 1.907 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1456738403 VVQAFWUNBBCFMB-UHFFFAOYSA-N 429.527 1.606 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 1462896049 LQNHIXSGGBABJJ-LBPRGKRZSA-N 426.438 1.551 30 10 IDEE O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1465184769 RRAWKLFUCXECCY-BLLLJJGKSA-N 432.336 1.842 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 1469506808 ARVQLRBAPKPDLE-UHFFFAOYSA-N 436.530 1.825 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(Cc3nc(C)cs3)CC2)c1 1470034967 WMNVWSMSEZTTSH-UHFFFAOYSA-N 433.555 1.573 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1504915039 ZABYJCIKAJAOLL-FQEVSTJZSA-N 426.521 1.391 30 10 IDEE COCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1505051424 QUNIASIZSRTZEL-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1505325252 SCTCSCRZJQAUMI-KRWDZBQOSA-N 437.566 1.242 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1507616300 IHQUHMNQPXHMRE-GOSISDBHSA-N 449.552 1.797 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507622631 JXYNSVRDLBLLMG-ULQDDVLXSA-N 439.582 1.104 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507630720 GKRJILWNOIGCTH-DYESRHJHSA-N 446.577 1.247 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1507672127 UYFDJMDFLAXTJL-OAQYLSRUSA-N 442.479 1.796 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1507678239 SZPGCHWHTFZGBQ-UHFFFAOYSA-N 429.484 1.719 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1507765670 UGJICISCCMQSEH-VGOFRKELSA-N 444.605 1.990 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 1507956555 BKEXXAJZYJEPQM-QGZVFWFLSA-N 427.509 1.039 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1508040282 VPXQJGIBLSRSCI-IPMKNSEASA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1508085492 HXDBJNAHIZTOLG-KSFYIVLOSA-N 429.496 1.694 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1508359529 BDKCROPKDCLOCL-UHFFFAOYSA-N 438.532 1.711 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1513519980 BZGNLOZZTHMFNG-QGZVFWFLSA-N 438.536 1.374 30 10 IDEE CC[C@]1(C)CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)O1 1513547580 LPGOVBKNGUVGKE-ABSDTBQOSA-N 439.582 1.894 30 10 IDEE CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CCOC 1514377763 BLKABTQINIGDIG-QFBILLFUSA-N 441.536 1.679 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1517238612 CBXWPBDSRNDJFV-LZICOFPGSA-N 425.493 1.283 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)c1ccccc1 1519451256 UOYXSVQLMYYIBM-SXLOBPIMSA-N 426.521 1.867 30 10 IDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nn1 1529540086 DKENGWPBTYZQBC-UHFFFAOYSA-N 429.546 1.670 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC1(C(N)=O)CCOCC1 1539031516 KFRAYMIJAKDTGX-KRWDZBQOSA-N 441.532 1.996 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)c1cc[nH]n1 1539403608 UMSIWFFIBMUGME-UHFFFAOYSA-N 445.886 1.977 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 1540109501 YSQAEWCQXTUIGB-ROUUACIJSA-N 429.569 1.327 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCCC2)CC1 1540905791 ZTTFQJFQAYQJMI-UHFFFAOYSA-N 444.605 1.929 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1547319891 DBHGGISZOOVWBD-DLBZAZTESA-N 440.460 1.321 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1555280321 GBVAMBZYYJDPQA-INIZCTEOSA-N 432.456 1.602 30 10 IDEE COC[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555372493 BWFORLAQZVGWQC-SGRLSNSRSA-N 437.504 1.263 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 1556667720 JLSAUJADUZJADT-OAHLLOKOSA-N 427.523 1.109 30 10 IDEE C#CCN(CC(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C)C(=O)OC(C)(C)C 1568492637 SRDUZGLRWXRJOK-LJQANCHMSA-N 446.552 1.194 30 10 IDEE C#CCONC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1584292712 QKQVMTVGOBILPZ-UHFFFAOYSA-N 446.245 1.643 30 10 IDEE C#CCCCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1587758785 GJBCQMKYBSWPPK-UHFFFAOYSA-N 445.593 1.902 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1587808433 RHSMHZVSUGXGMR-INIZCTEOSA-N 436.582 1.283 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)s1 1588068283 FUBFAVMNFZXUAH-UHFFFAOYSA-N 440.547 1.888 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1588223760 FXJGAKURXOROEI-HKUYNNGSSA-N 436.491 1.175 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1588245851 SLSRKBOYDGLCRY-FQEVSTJZSA-N 440.569 1.970 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC(O)CC1 1588292785 BQCSZQGSFULYFZ-UHFFFAOYSA-N 435.536 1.227 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(O)cc2)CC1 1588733113 NRZGHHXYOLJZBX-UHFFFAOYSA-N 431.500 1.629 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccccc2)CC1 1588742783 UYFCNRMWFCDKTF-QZTJIDSGSA-N 430.578 1.447 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(C(N)=O)CCCC2)CC1 1588913458 KHDCQGPPYLUNHT-UHFFFAOYSA-N 435.532 1.352 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1594896335 WNODKDSVAIJXPG-QGZVFWFLSA-N 446.577 1.732 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(N2C(=O)CCC2=O)c1 1607497559 IAYJZLJQQXZAOX-UHFFFAOYSA-N 426.454 1.407 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1612882668 BLOQJMVTOJEOHF-LZLYRXPVSA-N 438.536 1.636 30 10 IDEE CCc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 1614654527 IEAZHBOQIUDEDH-UHFFFAOYSA-N 437.572 1.597 30 10 IDEE N#Cc1c(NC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)nc2n1CCOC2 1617125877 OPYLMYXEULCIIU-CYBMUJFWSA-N 429.864 1.804 30 10 IDEE Cn1ccc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)n1 1618425468 PVFRBVHFNCAWLL-AWEZNQCLSA-N 431.298 1.557 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1620169701 DJABSZSBPQRLPE-UHFFFAOYSA-N 441.561 1.160 30 10 IDEE CSCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620296339 LXCMZEWMWJOHOF-UHFFFAOYSA-N 427.534 1.689 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC2CCOCC2)CCO1 1620354373 CNKRNGKEQUOOHA-KRWDZBQOSA-N 425.493 1.861 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 1620485173 XXBGAXBHKUSWIW-VXGBXAGGSA-N 425.532 1.098 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)s1 1628782258 WBYQSFVRCREGJU-UHFFFAOYSA-N 447.538 1.914 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccc(C)cc2)c2ccccn2)CC1 1631699885 POQMRAFEVGBXED-NRFANRHFSA-N 441.557 1.469 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OCC)[C@@H]2CCCOC2)s1 1633782203 NZOFWLCHLLVWLZ-CXAGYDPISA-N 430.548 1.229 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1642923402 HFTFUJOSJRLFGO-JKSUJKDBSA-N 436.534 1.646 30 10 IDEE CCN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)[C@H](C)C#N 1643951787 DUOAMMBKJPEJHZ-LFMVTYOGSA-N 446.554 1.967 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1644587349 JKNBBKYJOQDMOT-RTBURBONSA-N 444.532 1.813 30 10 IDEE O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125758 PNWAOAKMLDTFHZ-VVULQXIFSA-N 425.272 1.029 30 10 IDEE CC[C@H]1C(=O)NCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1655676975 FUDMQCBERNEWDR-APWZRJJASA-N 427.549 1.957 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](C(=O)OC)[C@H]2CCOC2)cc1 1658320827 NZLMHSBTTJXPAY-WMLDXEAASA-N 425.507 1.440 30 10 IDEE CCOC(=O)c1c(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(C#N)cn1CCOC 1668605515 FJTUROWTOLPNGI-QGZVFWFLSA-N 433.509 1.558 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1675055267 AOMYVTSSVTZMDL-UHFFFAOYSA-N 432.525 1.716 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccccc1S(C)(=O)=O 1683992574 ATMYJSUDXWVWPQ-HNNXBMFYSA-N 428.518 1.215 30 10 IDEE C#Cc1cccc(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)c1 1684329860 IOUDOLNSNHMBRT-UHFFFAOYSA-N 426.542 1.603 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC(C)(C)C(=O)NC)c1 1689873252 CAQHSXPKFXASJQ-UHFFFAOYSA-N 426.521 1.643 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1689960988 GTRQCUNJWVFTQE-UHFFFAOYSA-N 449.559 1.857 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1689982277 KIPVTCUATUWUCZ-GHTZIAJQSA-N 448.545 1.587 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1690043979 VHRNSBCFQVODDQ-LEWJYISDSA-N 440.592 1.829 30 10 IDEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)NC)CC1 1690415811 ZJRNHXNEWYPLPL-UHFFFAOYSA-N 435.550 1.817 30 10 IDEE C=CCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690652556 QRYBYBQHMVLGTC-LJQANCHMSA-N 427.571 1.365 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690655179 JVJCGBXNYMKMJW-UHFFFAOYSA-N 442.524 1.066 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690666708 DNICOFKHJWKXBA-LJQANCHMSA-N 438.532 1.383 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690673102 OHHKAGWJZPVSBQ-QGZVFWFLSA-N 427.509 1.281 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1693847331 FXEHHRDRYHBAKD-APFMSCDFSA-N 433.472 1.568 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)[C@@H]1[C@H]2CCC[C@H]21 1696647739 WRKFQTGGRKSWAL-RUYXUALKSA-N 444.561 1.903 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(=O)OC)c1 1698170289 KLSITOAEXSAMMS-CRAIPNDOSA-N 444.492 1.957 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCCO)CC1 1698488735 LGBWTPPHAYWSJO-LJQANCHMSA-N 425.537 1.928 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(F)(F)F)CCO1 1698492745 FVCRIUGAJLHTSP-HNNXBMFYSA-N 433.398 1.992 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1705491640 GEORNKHOICTJEP-INIZCTEOSA-N 445.531 1.452 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705514384 ULFQIANIAQGJBJ-UHFFFAOYSA-N 431.566 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(CC)CC)CC1 1705648461 SXPDSPVMGIUGKR-FQEVSTJZSA-N 430.597 1.870 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCOC2)C1 1705697310 LDEFRTWIZSCDKV-LMVRJCEZSA-N 436.553 1.979 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705706011 OILCYSCVLQIHTC-NSHGMRRFSA-N 426.521 1.196 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H]2OC)CC1 1705769032 GWMQOGKJLAIWJI-KURKYZTESA-N 439.582 1.583 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)C1 1706933354 CETMJORMZJRSOH-LUXYFRNMSA-N 426.518 1.272 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1712610533 AZGBPTARJVQKDZ-UHFFFAOYSA-N 428.493 1.758 30 10 IDEE C#CCCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722324048 ZEJHNISEJZFESD-QFIPXVFZSA-N 432.569 1.974 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1722366181 GJFSCEYHEIHRFK-MOPGFXCFSA-N 449.621 1.673 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1722428051 AZKHBWILOJAYQM-MRXNPFEDSA-N 435.575 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722440404 FWHNMHFTCMKNQN-OALUTQOASA-N 442.564 1.363 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C)c2ccccc2)CC1 1722445695 AREWDHZIPCCGEY-UHFFFAOYSA-N 444.543 1.837 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722455451 UAZMWKJUZHHTOR-HNNXBMFYSA-N 427.530 1.750 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1722482605 BZGXEGKORWZDMJ-LLVKDONJSA-N 437.264 1.822 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722534936 SSFCBXQGPQUXNS-CQSZACIVSA-N 441.458 1.776 30 10 IDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722691068 PJSBWKOBHLCZNB-QZTJIDSGSA-N 444.580 1.654 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1722863542 KWPIYBYQTIXAPV-ZIAGYGMSSA-N 437.545 1.738 30 10 IDEE CC(C)(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1722961441 HWGZCNLMONMGPO-KXBFYZLASA-N 442.561 1.879 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)c1 1729735671 BKIHZYILAUUZPD-AWEZNQCLSA-N 433.538 1.111 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)cn1 1730773981 GAYQDNGRWQCXIO-INIZCTEOSA-N 434.504 1.375 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740579633 RJHOZVMJDPGXKF-UHFFFAOYSA-N 426.525 1.331 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1740644912 YNISAOMQNDQIJM-CVDCTZTESA-N 427.549 1.998 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1740653311 IMPJUYRHTRPLKZ-NRFANRHFSA-N 432.528 1.577 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1740724170 YHLBXFLIAQWABW-MRXNPFEDSA-N 443.529 1.873 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCC(=O)NC 1740757579 PQHOJYANOOUICS-QRWLVFNGSA-N 444.536 1.949 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1740925845 OXYSXBCSPULHKD-IIBYNOLFSA-N 431.562 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740957428 NPSZEEJQHHSENY-SFHVURJKSA-N 425.537 1.191 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1740965073 ZCIZOAPQXLUCOS-INIZCTEOSA-N 426.521 1.389 30 10 IDEE CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745387153 GUCMLKYLHOUBEJ-KRWDZBQOSA-N 437.552 1.967 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748823736 AROYRUQIQZEPCT-GUDVDZBRSA-N 435.594 1.488 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1748830121 OXDVYRXLLHBMSH-DEOSSOPVSA-N 433.512 1.337 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1748842638 QBXRIRJVUOHQGC-UHFFFAOYSA-N 427.512 1.527 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1748868047 QFOLYEMQYVVSQV-NZQKXSOJSA-N 429.565 1.502 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cncn1 1749146889 QYXJGCQEPLTCSZ-UHFFFAOYSA-N 444.565 1.890 30 10 IDEE C=C(C)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749208003 XKVIMVULGZZQLC-FCHUYYIVSA-N 446.552 1.709 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749651656 ZUSRBUPLGCMSCH-OAHLLOKOSA-N 428.541 1.527 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749677697 IGKJKTYXEKJZSA-RBUKOAKNSA-N 449.515 1.278 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1750066176 GUTWLRYSBIQEQY-XJKSGUPXSA-N 429.435 1.941 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1Cc1ccc(C#N)o1 1751229101 XYNQSVVRGBYXSF-AWEZNQCLSA-N 426.502 1.964 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1751237352 YCSDDKWLUYBQJB-CQSZACIVSA-N 435.554 1.322 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1751432901 PJMNTXYNFSGIRW-MJGOQNOKSA-N 444.561 1.332 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760140896 CRQMJZSMBNNQQO-SFHVURJKSA-N 438.536 1.416 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnn1 1760226484 FENNUHUZJZAQDX-UHFFFAOYSA-N 442.549 1.337 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(CN3CCOCC3)c2)CC1 1760266154 QVRBMUUFITUFON-UHFFFAOYSA-N 436.560 1.433 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC)OC)CC1 1760271342 VJZADRSNBPJDFG-IBGZPJMESA-N 427.553 1.531 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1760289727 RZLBUWMLHMHWNK-BFUOFWGJSA-N 445.574 1.933 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCC[C@@H]2CO)CC1 1760382789 YFPCARFMNCMUAJ-ZWKOTPCHSA-N 440.614 1.282 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1763257411 ZJSJRVOXCLCGCG-CRAIPNDOSA-N 429.550 1.039 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CC#N 1768280793 HZQLKQSUWYHCBR-AWEZNQCLSA-N 434.522 1.742 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1769357211 GZDPTBPJSICNLZ-GOSISDBHSA-N 439.520 1.617 30 10 IDEE CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C1CN(c2nccnc2C#N)C1 1849512887 JMMICEIFDXEQIS-UHFFFAOYSA-N 440.529 1.096 30 10 IDEE N#Cc1ncc(C(=O)O[C@H](COc2ccccc2)CN2CCN(c3ncccn3)CC2)cn1 1852465873 SYGBFKXXYHTAAQ-FQEVSTJZSA-N 445.483 1.565 30 10 IDEE Cc1ccc(-n2nnc(C(=O)O[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)n2)cc1 1852775766 JAZLOVAGJKHXSF-NRFANRHFSA-N 448.483 1.779 30 10 IDEE CC(=O)N1[C@@H](C(=O)N2C[C@@H](C#N)CC2=O)CSC12CCN(Cc1ccccc1)CC2 1852953780 DMFPIGQNYGLKIF-RTBURBONSA-N 426.542 1.841 30 10 IDEE C[C@H](CCC#N)N1CCC([C@@H]2CC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1853944108 XFRQXNYBNHJMKL-VQIMIIECSA-N 438.594 1.437 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCOC3)C2)CC1 1855452688 QACVJTIVEZKPGP-MSOLQXFVSA-N 431.514 1.371 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCOC3)C(=O)C23CCCCC3)cc1 1856299125 PUAOUIYLHVXEPG-QGZVFWFLSA-N 431.514 1.657 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1=O 1856805425 PUVUIMVPQKGFIS-NWDGAFQWSA-N 432.857 1.361 30 10 IDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1857490989 XGBFLFXYPYOBDO-JKSUJKDBSA-N 425.576 1.784 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1 1858298191 HUKIXERJCWWNOJ-SFHVURJKSA-N 426.498 1.453 30 10 IDEE N#Cc1ccc(COc2cn(C[C@H]3CCCO3)c(CN(CCO)CCO)cc2=O)cc1 1870348627 FQWXULRSGLKYKB-OAQYLSRUSA-N 427.501 1.265 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCC(CO)CC1 1870547715 KZLPAOATQFMCLV-HXUWFJFHSA-N 433.549 1.255 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2C)c(=O)cc1CN(CCO)CCO 1870639034 FGJOPVQKJCUATM-UHFFFAOYSA-N 449.935 1.800 30 10 IDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(NCCCN3CCOCC3)ncnc21 1875229682 AWFUOSNOVNDUQH-UHFFFAOYSA-N 428.537 1.348 30 10 IDEE CC(=O)N(C)c1cccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889612280 RBGGDVWHHWDJLN-UHFFFAOYSA-N 426.561 1.541 30 10 IDEE CCn1c(=O)c2cc(S(=O)(=O)NCc3ccc(C#N)c(F)c3)ccc2n(CC)c1=O 1890710614 VIHDGIAKRPFERD-UHFFFAOYSA-N 430.461 1.692 30 10 IDEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891307752 XNCXVUPEOLJDJB-GJZGRUSLSA-N 426.502 1.574 30 10 IDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)C1(C#N)CCOCC1 1982300831 VWPUTFBIHPYQNX-UHFFFAOYSA-N 426.514 1.841 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060633710 QONIWIHZRLWEOL-KGLIPLIRSA-N 434.302 1.085 30 10 IDEE CCOC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2124537222 WJQGOALHKWJCTN-UHFFFAOYSA-N 448.329 1.740 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255632552 OHHFOKMZLKFCPS-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705128 QJXVVWVFBXFILO-OAHLLOKOSA-N 435.330 1.680 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2255818044 FOYDHZABTKXEDN-UHFFFAOYSA-N 436.270 1.383 30 10 IDEE Cn1nc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843607 JHPZWZAWMSAHOK-OKILXGFUSA-N 434.346 1.752 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2255874237 SDZBKGSDJYEURB-UHFFFAOYSA-N 435.330 1.348 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 2255942282 NJRVAYXVFSYVDX-UHFFFAOYSA-N 443.338 1.765 30 10 IDEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CO)c(B2OC(C)(C)C(C)(C)O2)n1C 2255944207 YHQOGPPALTXLQG-HNNXBMFYSA-N 449.382 1.599 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256616804 DVENYDFGJSHKAB-WMLDXEAASA-N 434.342 1.876 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256925971 YUPNWZDNSUFJTK-HNNXBMFYSA-N 429.282 1.499 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C2(NC(=O)OC(C)(C)C)CC2)C1 2267180355 CWGDVWRXAGSIMR-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cc1cc(S(=O)(=O)N2CCC[C@@H]2C2OCCO2)sc1B1OC(C)(C)C(C)(C)O1 2267354445 QCRVWXKDGDSUOY-CYBMUJFWSA-N 429.369 1.882 30 10 IDEE CO[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267477541 MRURMYBTKHKTEZ-DLBZAZTESA-N 447.341 1.745 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267515361 NDZIJTWXTNFXBE-SFHVURJKSA-N 440.353 1.730 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2267816533 QCDYNLGHVHOXEO-UHFFFAOYSA-N 446.357 1.702 30 10 IDEE N#CCOc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2286049540 PTSMBRADNHZDBW-KRWDZBQOSA-N 433.442 1.710 30 10 IDEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1F 2296611975 CYLFXSRXESBYLJ-HXUWFJFHSA-N 441.459 1.983 30 10 IDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)CS(C)(=O)=O)OC1(C)C 2343825914 SBBTYJDTAMRVFK-UHFFFAOYSA-N 429.778 1.122 30 10 IDEE CCOC(=O)N1CCN(/C(=N/C(=S)NC[C@H]2CCCO2)Nc2nc(C)cc(C)n2)CC1 14161560 ZGEFVWFPYINRNY-MRXNPFEDSA-N 449.581 1.689 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)cc1OC 21324908 FKDMHEDWSBMCNC-FSJBWODESA-N 442.505 1.971 30 10 IDEE CCOc1ccccc1[C@@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@H]1C#N 72443721 WBCGJYHYNIFXNH-HOCLYGCPSA-N 436.472 1.094 30 10 IDEE CC(=O)N1CCC(CCCS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 208044725 XAFZDNZGMHHRKB-UHFFFAOYSA-N 437.371 1.588 30 10 IDEE CCN[C@H](C#N)CCn1cnc(I)c1I 308791189 CUGQEZRFITTZHS-ZETCQYMHSA-N 430.031 1.984 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409503444 XVCQPTDDLWMOHD-KBXIAJHMSA-N 446.403 1.691 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 434818994 WNZLLZCRJLEPCL-OLZOCXBDSA-N 425.518 1.605 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 460559170 ZCIHNUDZNHWJBE-HUUCEWRRSA-N 431.566 1.905 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)cc1Cl 473457216 ZQSBFXPKFRVDBF-IAGOWNOFSA-N 433.873 1.917 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c(F)c1 481029109 ZGZWYMYZTSXKSM-INIZCTEOSA-N 433.461 1.441 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cn2)C[C@@H](C)O1 499678981 RMJKKWXFZQNDOL-HDICACEKSA-N 435.532 1.994 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 500940574 IQQUAVWWPUYSDS-UHFFFAOYSA-N 440.525 1.812 30 10 IDEE COCCOc1cncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 509031014 PYEBKQKSGVSFNF-UHFFFAOYSA-N 430.486 1.125 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c1 512865705 PRBSVWZLWMUSBY-IBGZPJMESA-N 439.497 1.984 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCO2 522692299 COLKKSCPKKHLKB-UHFFFAOYSA-N 431.473 1.895 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCO3)c1=O 603991089 VJZVUZTWAGPFII-UHFFFAOYSA-N 445.500 1.718 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C)c2)c1=O 725763613 OJJKDXZVUUQJRA-UHFFFAOYSA-N 438.509 1.074 30 10 IDEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@@H]2CCCO2)c1C 727813487 JMDLDVAHOCTVFW-SFHVURJKSA-N 448.548 1.825 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(C)C)cc1 730138714 DTJSBNBDORSUCT-LJQANCHMSA-N 447.605 1.946 30 10 IDEE COc1ccc(Cn2c(=C(C#N)C#N)sc(=Cc3ccc(OC)c([N+](=O)[O-])c3)c2=O)cc1 730250835 BYUFXGVIFIWUSP-UHFFFAOYSA-N 448.460 1.910 30 10 IDEE C[C@H](CS(C)(=O)=O)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 733201485 KUSNLCMKWKPTIO-ZBFHGGJFSA-N 440.591 1.119 30 10 IDEE COc1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1S(=O)(=O)N1CCCC1 734654980 BHWMLPZCCATMFV-QGZVFWFLSA-N 433.534 1.684 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741433706 YSUNBNMKAUQVBL-SFHVURJKSA-N 441.509 1.822 30 10 IDEE COc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C#N 747177569 DKZDZGOGZYQMIW-UHFFFAOYSA-N 430.486 1.909 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)c2cccc(C#N)c2)C1 748238445 UCXTYLSYNZORTQ-QGZVFWFLSA-N 431.470 1.990 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765145575 KCNWYLSJMKRRBR-UHFFFAOYSA-N 448.508 1.013 30 10 IDEE Cn1cnc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)n1 768423297 ZHBAWCABBHGWNS-CQSZACIVSA-N 440.464 1.905 30 10 IDEE COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 772899114 GLDGMHSUQMHXPG-UHFFFAOYSA-N 434.521 1.230 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)n1 788695334 JDFFFIUULUYWCU-UHFFFAOYSA-N 425.894 1.794 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)C1 802143041 KNJKRDGMBTVLHA-ZJIOXEHGSA-N 447.536 1.945 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2C[C@@H]2CCOC2)CC1 812426972 PAHYKDOTFZOQCM-UWJYYQICSA-N 435.528 1.957 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H]3C[C@@H]32)c1 815695373 CUCRMTLXWJRSRJ-VDWHKPSJSA-N 434.518 1.218 30 10 IDEE COC[C@@H](C(N)=O)N(C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 817937038 UTEVWJYQAILZIU-KRWDZBQOSA-N 426.498 1.861 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 914468543 FXDXTPMFDUCMNC-UHFFFAOYSA-N 429.477 1.495 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccc4c(c3)OCO4)n2)o1 1084584630 FNCIKVKDXAZWJJ-UHFFFAOYSA-N 444.477 1.723 30 10 IDEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nnn1-c1cnn(C)c1 1125202515 NCVYIIBPFFYLMT-HAVVHWLPSA-N 442.505 1.374 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)CSCc1ccc(C#N)cc1 1147631935 FYTDXPUXQBGBET-NRFANRHFSA-N 435.546 1.906 30 10 IDEE C[C@](CO)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 1167332364 FSFJLJDMRQNROQ-GOSISDBHSA-N 441.431 1.879 30 10 IDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1176173018 MZGVKVQRAQQYTC-AWEZNQCLSA-N 433.324 1.742 30 10 IDEE C#CCN1CCC(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)CC1 1178206910 BWVLHTLOEIENCU-UHFFFAOYSA-N 444.557 1.798 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCc2cncc(C#N)c2)cc1 1178373565 LAQMYXZPRPBYEN-UYAOXDASSA-N 428.514 1.517 30 10 IDEE C[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1181001794 XIWSNZBQDQLHJA-CQSZACIVSA-N 445.520 1.877 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1195261550 SSBIWKPHGOBQGP-RTWAWAEBSA-N 449.573 1.382 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H](O)c2ccccc21 1198086152 YLNORXGCOWSZHB-JPCHKZQCSA-N 433.530 1.714 30 10 IDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1212442127 CXNDAUBVXRLXSA-SNVBAGLBSA-N 437.255 1.049 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1214257670 JBSRRSJVEXQYIK-QGZVFWFLSA-N 437.518 1.266 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1225172041 VHTAWDVDTATZHX-ZWKOTPCHSA-N 436.553 1.667 30 10 IDEE COC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(Br)c1 1235462012 FSZKENIPXUURMZ-LXZKKBNFSA-N 442.335 1.716 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1286297403 WFLGATYLBUXYRZ-WBVHZDCISA-N 445.545 1.077 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCN(C(C)C)CC1 1286365557 CRERACQEKNFZBI-UHFFFAOYSA-N 445.589 1.653 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286386891 JAFXYOGONRLGQH-QGZVFWFLSA-N 442.520 1.916 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1286419420 WWUZTPLFNOEJHC-UHFFFAOYSA-N 442.545 1.602 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1286420355 OVEJJIZIGBZBNC-SFHVURJKSA-N 425.537 1.831 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286504922 WVEOJAVRSRCQKO-UHFFFAOYSA-N 447.572 1.947 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1286722757 SDDPURVDLWIQPM-QGZVFWFLSA-N 437.548 1.783 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1286794440 HALFSRFTPKREGC-QGZVFWFLSA-N 447.499 1.850 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN(C(C)C)C2)CCOC1 1296662042 BAZPYRYLJQYHBL-CNNODRBYSA-N 432.569 1.779 30 10 IDEE C#C[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1298584000 GQPAEMLTTFUJDV-QMTHXVAHSA-N 425.359 1.504 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1 1299421004 MLLDROAGWRFPAH-UHFFFAOYSA-N 425.532 1.062 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300501788 NPVWXHLOSJULEX-SFHVURJKSA-N 447.605 1.998 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1300537313 DJNVOSSYNWGLCA-SFHVURJKSA-N 440.525 1.463 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(N3CCCC3)CCOCC2)n1 1300676559 PYQUNAAMKSPIHB-UHFFFAOYSA-N 441.580 1.714 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OCCN(C)C)cc2)CC1 1300726913 TYRIKUYFYUVMMF-UHFFFAOYSA-N 438.576 1.795 30 10 IDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300999944 LNPFWBRDEHLVAC-QGZVFWFLSA-N 442.520 1.672 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1301297770 VNGCOFQVXAWPJZ-INIZCTEOSA-N 427.477 1.560 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C)C1CC1 1301327494 USBJLSHQJDBXNH-GOSISDBHSA-N 449.581 1.164 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1301348533 CJTWRWFOBXZNPM-MOPGFXCFSA-N 432.546 1.788 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCCOC1 1301509697 MDTJRKHVSYIISW-OAHLLOKOSA-N 432.550 1.435 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(Cl)nc1 1303836114 HZUIDJNPQVASBO-BZNIZROVSA-N 427.893 1.427 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cn2cnc3ccccc32)cc1 1305327642 UNNSDPTUADYWBZ-NRFANRHFSA-N 426.498 1.129 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(=O)NCC23COC3)n(-c2ccc(F)cc2)c1C 1308037151 ZURILJZAQSLRRC-UHFFFAOYSA-N 425.464 1.634 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc(C)c2)c2ccccn2)CC1 1312422954 OFWVQCOFULJDEH-HXUWFJFHSA-N 427.530 1.274 30 10 IDEE COCCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1315980504 DPDCPZDBGANBLT-KRWDZBQOSA-N 445.545 1.894 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C1CC1 1358870270 JJWXNGNFKMDVNM-AWEZNQCLSA-N 428.924 1.846 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358940092 NSLKPAWOCKUIJN-LPHOPBHVSA-N 445.486 1.653 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358962907 YYFDXAYNAXTLQV-OAHLLOKOSA-N 449.533 1.058 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1358970350 MLWOJTWNTRKRBR-NFBKMPQASA-N 427.549 1.650 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1nnn(C)n1 1358973385 PWAJVYVXXWMTRO-UHFFFAOYSA-N 428.456 1.762 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1359077816 LUAPDSFCIYVPPV-SUMWQHHRSA-N 425.375 1.874 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNC(=O)C(C)C 1359103974 WFFDNEAUIFKGLC-PXNSSMCTSA-N 432.569 1.590 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359294266 PBZOIOJQGXKWFY-AWEZNQCLSA-N 440.382 1.923 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCC)CC1 1359302256 AIBDIOBGNNUZBL-UHFFFAOYSA-N 425.537 1.309 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359304027 ITTWEDSAZALKJN-SFHVURJKSA-N 440.548 1.868 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359347470 LYJXHBOAUSPKKR-QRWLVFNGSA-N 434.566 1.863 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1360468232 ZOCMNZASPJSBPM-SJORKVTESA-N 426.525 1.653 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 1441303128 BAOBKBDNAKVAHR-KRWDZBQOSA-N 427.567 1.425 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@H]2c2cccs2)s1 1444981694 CCXOALSJEFECPV-MRXNPFEDSA-N 425.557 1.516 30 10 IDEE C#C[C@H]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1452472731 BPFGFUQUOBKKKC-AWEZNQCLSA-N 441.347 1.955 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCc3cncc(C#N)c3)CC2)c1 1456018074 HKPXJQOXTNSTBA-UHFFFAOYSA-N 426.498 1.873 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 1460224776 YEIHYVWXQXTPMT-HNMKQIAWSA-N 443.525 1.572 30 10 IDEE O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1465184770 RRAWKLFUCXECCY-LRDDRELGSA-N 432.336 1.842 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCCNC2=O)cc1 1470511614 HIZHVVQBJXWGNH-UHFFFAOYSA-N 441.513 1.351 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC#C[C@H]1CCCCO1)n2C 1472319246 NAVALPUAFIRANE-MRXNPFEDSA-N 432.546 1.445 30 10 IDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478419911 HFWKTLIPQXSOKS-HOTGVXAUSA-N 428.411 1.635 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503405101 RXZIWONBJBBXDI-LJQANCHMSA-N 441.536 1.633 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCSC2)C1 1503833689 QYHDJSGOVWVJCM-IBGZPJMESA-N 432.575 1.699 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1CC 1507621272 SAMNQCXELKMWAL-UHFFFAOYSA-N 433.564 1.372 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507627025 HYPBLFFQFPOMBO-JKSUJKDBSA-N 448.545 1.624 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1507710451 GQBONDDLJVIZKO-MOPGFXCFSA-N 437.610 1.387 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(Cl)c2)CC1 1507716959 XHGKTNRHLJEEIE-UHFFFAOYSA-N 430.940 1.882 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CSCCS2)CC1 1507738774 YERRPWYIWDUSAI-INIZCTEOSA-N 443.602 1.550 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N(CC)CC)CC1 1507742548 LQANLICGZRGGDX-IBGZPJMESA-N 437.592 1.960 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507755898 WZOVFEOVDSLYDG-OALUTQOASA-N 448.637 1.923 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507868677 NHQQCBFHCJZSTC-HNNXBMFYSA-N 436.969 1.956 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc(Cl)cc2C1 1508095123 LPXWGEJBSJWKGD-UHFFFAOYSA-N 428.924 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508134961 BCLRNHIETCWXIK-HNNXBMFYSA-N 433.534 1.221 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1508161330 ZLOCPQYJKNJDDD-KRWDZBQOSA-N 431.566 1.767 30 10 IDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1517136879 XPSFNCHRILWQFW-UHFFFAOYSA-N 433.472 1.649 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1517158251 CENNCJOXRISHJX-UHFFFAOYSA-N 432.410 1.865 30 10 IDEE CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1517164502 QBXYTMYRONTEMC-UHFFFAOYSA-N 441.517 1.304 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 1517607405 BCNBBMNOFATKHG-WJOKGBTCSA-N 443.577 1.825 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1519180760 YWESXMRYEPGSIE-YCRPNKLZSA-N 430.509 1.411 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1519285150 ZVYXOQNFZBFRRA-RJCBAWPRSA-N 432.525 1.765 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1539148019 GFGMGTJBRSVUHL-MRXNPFEDSA-N 442.549 1.204 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539721556 CAIRZYCPIPYVLK-NRFANRHFSA-N 431.541 1.495 30 10 IDEE C=C(C)COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1539751565 PKPZJQJAJGUPSO-UHFFFAOYSA-N 448.568 1.922 30 10 IDEE C=C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1539855069 MXQPZFSNCPYHMR-UHFFFAOYSA-N 445.527 1.684 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)F)CC1 1540908511 XPGBADHIVBWBSM-CQSZACIVSA-N 437.488 1.415 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1540961123 WHIAWZHQWVVZKU-JQVVWYNYSA-N 446.552 1.306 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541137742 CIWUDNSMNLTPJU-UHFFFAOYSA-N 434.504 1.970 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CS(C)(=O)=O)cc2)s1 1542171379 JXNHMEVEUKXLBG-UHFFFAOYSA-N 442.584 1.616 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1544773277 YACPWXYJNNKXSW-AOMYARPXSA-N 426.452 1.836 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)c1cc[nH]n1 1557043948 YFPCFFRKMAZHOL-UHFFFAOYSA-N 437.497 1.551 30 10 IDEE N#C[C@]12CN(C(=O)NCCc3ccc(OCC(F)(F)F)nc3)C[C@H]1CS(=O)(=O)C2 1564615485 WNXOWDSQHMMZBD-XJKSGUPXSA-N 432.424 1.145 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3cc(Cl)ccc3N3CCOCC3)C2)c(=O)nc1O 1564657506 ZHTUMARTHHONEY-UHFFFAOYSA-N 444.879 1.077 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OC 1568154662 NUWWLSNIBGZTJG-UVPYHEFZSA-N 440.493 1.034 30 10 IDEE COC(=O)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1Br 1584140848 HHWFLBMZSIFMSH-CQSZACIVSA-N 435.234 1.004 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CCN(C)CC1 1585116051 YJBFLNZLHZIEGX-IBGZPJMESA-N 427.545 1.651 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)OC)cc2F)s1 1585576582 FPFWMMDTCPWZSH-UHFFFAOYSA-N 426.491 1.997 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cnn(C)c2C)c1 1587693133 PPIQOWNDSIPGNR-GOSISDBHSA-N 433.516 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1588040211 JOAJQWUPOZYCFR-KRWDZBQOSA-N 445.545 1.059 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588065390 XWTAMJCSJVFKHM-WOJBJXKFSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1 1588193717 JUFJDHSAZZKTEE-GOSISDBHSA-N 428.514 1.227 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1588732759 FWZBXGXCVGQFFN-CVDCTZTESA-N 429.613 1.682 30 10 IDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)O)CC1 1588751521 LNEZJVUYMHYQFG-UHFFFAOYSA-N 445.593 1.073 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)cc1 1595614205 PWELOXUEPPODBP-MOPGFXCFSA-N 427.505 1.694 30 10 IDEE C#CCN(CC(=O)N[C@H]1CCc2cc(C(=O)OC)ccc2NC1=O)C(=O)OC(C)(C)C 1597907352 AOZKBUKBQDJJIO-KRWDZBQOSA-N 429.473 1.713 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H](CC#N)C(F)(F)F)c1 1598394274 IRGWOZVJDZFALR-OAHLLOKOSA-N 434.440 1.348 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1613987328 IYGTYYMRELBFHA-HOTGVXAUSA-N 425.537 1.875 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1614328592 CKNQRMASSZNSTA-HRAATJIYSA-N 446.577 1.838 30 10 IDEE CCN(CC)CCOCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1615450473 RGJRZJNJHULZQG-QGZVFWFLSA-N 427.557 1.322 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C(C)C 1616484786 AHTBNAROFFANHT-QGZVFWFLSA-N 442.520 1.757 30 10 IDEE CN(C)C(=O)COc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1617628407 HXWVLUYRUYQVPX-IEBWSBKVSA-N 440.504 1.026 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1617779648 CURKJCCSALYTAO-KRWDZBQOSA-N 445.545 1.657 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)C2=O)cc1 1618731329 NFUHZCNIDWJAET-ZACQAIPSSA-N 425.407 1.759 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)NC2CC2)C1 1620345607 GIPNMGXWQOWGBC-HXUWFJFHSA-N 426.456 1.426 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)[C@H](C#N)C1 1621714763 CHTYNAYNCHUMHP-HUUCEWRRSA-N 435.502 1.583 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1 1622929311 GFYSEIJPEOTPNK-UHFFFAOYSA-N 425.367 1.749 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1623684048 DBKBMDWWKANJPH-INIZCTEOSA-N 433.509 1.372 30 10 IDEE CON=Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1623918451 BDEDNORPXWROMM-UHFFFAOYSA-N 445.497 1.585 30 10 IDEE C#CCN(C(=O)c1nc(N)nc(N(C)C)n1)[C@@H]1CCOc2ccc(Br)cc21 1629239014 YMBBSEGZBPDHQN-CYBMUJFWSA-N 431.294 1.882 30 10 IDEE N#Cc1ccc(OCC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cc1Br 1630352829 USQKZYUXQKVZJT-UHFFFAOYSA-N 442.266 1.802 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1S(=O)(=O)NCC#N 1630500404 NABNYHJEXQPTSU-RTBURBONSA-N 432.546 1.170 30 10 IDEE C=CCC[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1632038908 XYMJJXBFBLUBHA-INIZCTEOSA-N 441.550 1.483 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1 1632229030 XRTKXKJNMVHVDY-UHFFFAOYSA-N 427.457 1.298 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2ncn(C)c2Br)c1 1639542547 XOUBXDQLAPENII-UHFFFAOYSA-N 427.324 1.619 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1639701052 LBKRIXNLTJMYSN-SJLPKXTDSA-N 448.545 1.543 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 1643480145 WGOUNVCWINUAAG-MRXNPFEDSA-N 429.473 1.901 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)OCC 1643590540 VCZVKLAUWFDYSE-ZDUSSCGKSA-N 434.898 1.879 30 10 IDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1649579577 CPCICDIQNDDOEP-UHFFFAOYSA-N 426.521 1.663 30 10 IDEE C=CCC1(O)CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1654838653 WZMAEFJFECYIIA-UHFFFAOYSA-N 441.532 1.335 30 10 IDEE Cc1cc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cnc1Br 1656781791 BGRIVNFGSIONBX-UHFFFAOYSA-N 435.278 1.738 30 10 IDEE CC(=O)N1CCN(Cc2ccccc2NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1670283337 FPPAOIYUESGUOI-UHFFFAOYSA-N 447.543 1.971 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1681675282 OBVMWKTWXWZCJT-INIZCTEOSA-N 427.567 1.856 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689989911 JPMOYBRXGADFNM-INIZCTEOSA-N 435.594 1.539 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)OC)CC1 1690310089 TWEVHBVEFSTMJY-UHFFFAOYSA-N 431.493 1.988 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1690345791 CZKMVJSPZRBXQT-LLVKDONJSA-N 431.868 1.752 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1690507055 BWWTZMPNVYTCEZ-OAHLLOKOSA-N 430.475 1.896 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690749391 BGSBMZRAPQOKRB-QGZVFWFLSA-N 430.582 1.615 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1692764293 BYYXCFBHRGURPG-QYWGDWMGSA-N 446.577 1.947 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1692845489 GJDHUSQZNTWVBH-FBBFKJPPSA-N 446.515 1.920 30 10 IDEE CCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1696170405 GUDUWWBAOJAGPY-YWZLYKJASA-N 447.565 1.860 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1696767994 HISVHESNYAFABN-NRFANRHFSA-N 445.545 1.229 30 10 IDEE COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCCC1 1697233497 HNWSNFKHZANVSO-HZPDHXFCSA-N 440.570 1.166 30 10 IDEE C#CCCCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539070 IMGWRWCHSUBTJL-JOCHJYFZSA-N 428.537 1.962 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705569109 ZKMOVJWTOOXYTD-QFBILLFUSA-N 432.546 1.543 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1705570250 MFUGPMKASHOAJY-LQWHRVPQSA-N 436.578 1.441 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705587734 HBMKCDPYTCGSET-CVDCTZTESA-N 425.533 1.705 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1705598746 PVMXOVNSSKYUKV-GCJKJVERSA-N 444.557 1.761 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@H]2OC)CC1 1705648072 QWBGOJBPLRUKSO-FGTMMUONSA-N 428.537 1.010 30 10 IDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1705760121 APTHWIUKSLQJDF-KUHUBIRLSA-N 438.916 1.155 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939573 ZWBGKQFAZOSVPT-PXNSSMCTSA-N 442.582 1.535 30 10 IDEE CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)SC 1708677740 AGWDHHSSTBIUNS-CABCVRRESA-N 427.596 1.831 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1711219766 NXPCEEGKKANSMZ-UHFFFAOYSA-N 449.515 1.495 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1712616482 XVOLCUGPWDTDPB-UHFFFAOYSA-N 436.520 1.540 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1722275398 DMQQDVYAXMJYGA-BBWFWOEESA-N 434.566 1.776 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1722395699 ODXJYBOBSVJCBM-GOSISDBHSA-N 431.491 1.498 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)N(C)C)CC1 1722445883 ZYPYRVZDEQTQFW-MRXNPFEDSA-N 438.532 1.590 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2nc(C)no2)CC1 1722445930 FZGNONKDEMWZLF-UHFFFAOYSA-N 448.531 1.939 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)CC1 1722532475 NESZGKKJTKULFD-UHFFFAOYSA-N 428.518 1.755 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@@H]1CC 1722723930 JIEPBJIOOUKHBL-KKUMJFAQSA-N 433.600 1.114 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1724549935 HDEGEPQMUPZBGS-FUHWJXTLSA-N 431.518 1.329 30 10 IDEE CCc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727630136 WFUQMCJCNXZCRU-ZREAOVPFSA-N 436.516 1.815 30 10 IDEE CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728005246 BECCYKIRFVOFEW-INIZCTEOSA-N 446.581 1.672 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@H]1C 1730799143 MFISRLBIDGRQFT-QGZVFWFLSA-N 426.521 1.411 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCC(=O)N(C)C 1730955759 IHUJRJWVRDISFP-HQRMLTQVSA-N 445.568 1.047 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1740572094 YXPYUPNFLILYDG-INIZCTEOSA-N 434.500 1.995 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1740618410 HBAYJBOXNGPMRR-KRWDZBQOSA-N 430.530 1.999 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1740623921 AEDGYYWFXDPUSL-LJQANCHMSA-N 445.589 1.456 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(N(C)C)CCSC2)CC1 1740701007 QRBSMPPRGIKHIX-IPJJNNNSSA-N 448.637 1.195 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)(C)C)CC1 1740833760 XSXPLCIWZPLAMH-AWEZNQCLSA-N 426.587 1.596 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740881141 YNQWKJQIBPKKFE-UHFFFAOYSA-N 443.527 1.968 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccn(CC)c2=O)C1 1740972752 MOIKFVKLAHFEHH-XXBNENTESA-N 443.548 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740985202 DHLMBKJHPPMXHF-KURKYZTESA-N 425.599 1.549 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1741128466 WLIYVTSWKPOFKV-WMLDXEAASA-N 434.508 1.431 30 10 IDEE CC(C)OCCS(=O)(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1741766785 IJMHDAOGDDVNJI-UHFFFAOYSA-N 448.549 1.545 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1741795736 BGQMANLRMSZBLW-CABCVRRESA-N 443.474 1.516 30 10 IDEE C[C@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCSCCCO)C2 1742016931 DRDYBDBTXSAYIO-NRFANRHFSA-N 442.545 1.963 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cs1 1742590619 AEWRTVWWRKMENJ-KRWDZBQOSA-N 425.518 1.418 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1748663860 ARIDOZCDOHZMOA-DHMKHTPVSA-N 426.546 1.901 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748775634 PFKGJPMNDPCAGH-KRWDZBQOSA-N 439.335 1.327 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1748802120 LKFBWQCGZYGQEV-KRWDZBQOSA-N 447.536 1.980 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748812063 PBVLNFXEEIAIGM-RTBURBONSA-N 428.562 1.307 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815442 QMCYOTXTPFODQO-SCTDSRPQSA-N 435.594 1.282 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2(O)CCOCC2)n1 1748971163 FXAXTTPEQLIQEF-LJQANCHMSA-N 444.536 1.154 30 10 IDEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1749384693 GAWAISXMNBPNOK-IBGZPJMESA-N 443.573 1.995 30 10 IDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749448692 ARVIXQUWOPBGMR-KRWDZBQOSA-N 434.928 1.928 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1749599283 AFZBHZJBMRCDNG-QGZVFWFLSA-N 444.561 1.869 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ncccc2F)CC1 1749669763 JXLWRTYNQPKPPR-MRXNPFEDSA-N 443.483 1.113 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749734926 NZJJFBIWLVPPJT-MJBXVCDLSA-N 438.472 1.539 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1750383781 CDNJYZZTQNLXIF-WAOWUJCRSA-N 426.452 1.711 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750389518 ANSJRUFJITUFSI-DQRAZIAOSA-N 446.515 1.920 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1751094214 GGKSTNLVBFLSTK-RDJZCZTQSA-N 440.533 1.548 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1760115639 BBSIRBLAEZAANE-RDJZCZTQSA-N 433.603 1.758 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1760189753 WIUPKOCDUIDMBU-QRVBRYPASA-N 435.594 1.141 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1760210000 LLXYCSFLNGDURP-OALUTQOASA-N 434.610 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(O)CCN(C(C)C)CC2)CC1 1760266456 ZKNMFQSONHUUAK-LJQANCHMSA-N 444.624 1.993 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760272576 OVVVWOBCRLYQOU-SJORKVTESA-N 432.594 1.810 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1760274382 JBPMLWCYJUERIO-CRAIPNDOSA-N 429.612 1.650 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760280380 KCKZFKSMXVYGLQ-DLBZAZTESA-N 446.577 1.653 30 10 IDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760309612 BYKKWKOLNUIDAD-CQSZACIVSA-N 426.340 1.796 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760349015 WKCOWBFAQQJJDA-WMZOPIPTSA-N 441.598 1.829 30 10 IDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760471256 QKRGSHHZKGQFJE-UZLBHIALSA-N 439.582 1.367 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760517140 DSZUQALLYOLIRS-HUUCEWRRSA-N 433.534 1.264 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1761361779 OZOGNWBSJWIYTA-HOCLYGCPSA-N 435.492 1.243 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765254037 LBLIKBZZLJPTEP-UDJKBAMHSA-N 425.493 1.425 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1765434792 RAQAZBJZWBSIHN-HSALFYBXSA-N 438.532 1.661 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1768813310 DCGCCZQRMYWSEI-YZGWKJHDSA-N 427.505 1.741 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1769097021 ZAUHODKNDJUPQQ-SAXGHGMBSA-N 444.536 1.907 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1769897056 WFPBQTMFWQDSJT-IBGZPJMESA-N 437.548 1.500 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1771368499 HWJXELJPFKLFLW-INIZCTEOSA-N 430.534 1.371 30 10 IDEE CSCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771467834 JDDSDPQTYIEOHB-NVXWUHKLSA-N 438.623 1.500 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(Cc4ncon4)C3)CC2=O)c1 1854105036 VLXDAEJRFKGSHB-OAHLLOKOSA-N 428.880 1.348 30 10 IDEE Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854642584 SJLQDOLHIHVYRJ-MRXNPFEDSA-N 427.482 1.694 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)CC1=O 1856005381 WBLGUOZVSNJADQ-HUUCEWRRSA-N 439.500 1.616 30 10 IDEE CCOCCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1859014108 ZFISJHQMUNBOOE-UHFFFAOYSA-N 445.497 1.982 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c(O)c1 1862750647 AJAIDGKIPFKJHM-SFHVURJKSA-N 441.396 1.720 30 10 IDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1c[nH]c2c(I)cccc2c1=O 1866445893 NCOBCAXTWCDADC-VIFPVBQESA-N 439.209 1.962 30 10 IDEE CN(C)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874273303 DXXWIJXEFPDVOO-QHBIDGPYSA-N 443.577 1.918 30 10 IDEE COc1ccccc1[C@H]1[C@@H](C(=O)NCC#CCN(C)C)OCC(=O)N1C1CCCCC1 1889291442 DQRULSWJSOUDOD-GOTSBHOMSA-N 427.545 1.978 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CC1 1889599260 NJVBBUKIJYPPKS-UHFFFAOYSA-N 441.544 1.775 30 10 IDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)cc21 1891705604 LABTYXRQSGQLME-HNNXBMFYSA-N 428.470 1.878 30 10 IDEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCC(COc4nccnc4C#N)CC3)co2)no1 1891808184 GPVMREZOCZXPAZ-UHFFFAOYSA-N 437.416 1.816 30 10 IDEE CN(Cc1ccc(C#CCO)s1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2156993796 VVOBRYZWIQVWDI-UHFFFAOYSA-N 446.550 1.930 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194173587 PGABUIFBGCWGMO-MEBBXXQBSA-N 447.164 1.825 30 10 IDEE C=C(CS(=O)(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247903044 CYPDAGBXKCNSFK-UHFFFAOYSA-N 446.375 1.465 30 10 IDEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255605831 SFLFZMJYDFANCM-ZYHUDNBSSA-N 430.236 1.238 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@H]1OCc1ccccc1 2255622395 ZDEQFLSFGGAHJF-IAGOWNOFSA-N 426.326 1.934 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2255632234 KMVAQRQTLKKVOL-XNRPHZJLSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255692339 BBSSCMGFWJLHBS-CQSZACIVSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255802686 CKASQOKUTDWVGB-HUUCEWRRSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255807312 RQKQKTFTERONRL-GJZGRUSLSA-N 436.314 1.991 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@@H]1NC(=O)C(F)(F)F 2255826173 LWRICBALPHZLFR-QWRGUYRKSA-N 430.236 1.238 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2255842385 QSFHNPBOPWXDQZ-NVXWUHKLSA-N 425.342 1.507 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2256624594 NXOYCRZTCWUZDW-INIZCTEOSA-N 432.326 1.761 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267535895 DALRZSOGDSZXTN-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE COC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284403299 RNRKUQICWQTPLW-VIFPVBQESA-N 425.721 1.079 30 10 IDEE COc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 2329056092 MDEGNJWNUGUJDE-CQSZACIVSA-N 449.533 1.692 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2334263224 SWCLFPJTGVHGOB-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CC[C@H]1NC(=O)C(F)(F)F 2337288998 DNHGIZPGXVXMKS-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1C 2337397612 FBBGJCVZEAYABW-BWTSREIZSA-N 436.365 1.888 30 10 IDEE N#CCCN1CCN(C(=O)CN2N=C(c3nc(-c4cccc(F)c4)no3)CCC2=O)CC1 19049 QVFNXLNCHKUVMJ-UHFFFAOYSA-N 439.451 1.260 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccnn2C)c(=O)n1C1CC1 430975230 KBUYVFITZVHODG-UHFFFAOYSA-N 447.564 1.920 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 437905840 BHALHOZTHYXTDR-MSOLQXFVSA-N 433.530 1.807 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1 438679137 AZUMQGKUQYFYHO-UHFFFAOYSA-N 428.472 1.131 30 10 IDEE CCO[C@@H]1C[C@@](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)(C(=O)OC)C1(C)C 444760685 KOLRCPTZBXYMNR-RADWXHQJSA-N 448.589 1.793 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cnc(N3CCOCC3)c(F)c2)c1 462691246 YRXKFCJJGYLSLF-UHFFFAOYSA-N 434.493 1.452 30 10 IDEE CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nnc2ccccn12 481504613 FEIXCJRFYMCANB-KSSFIOAISA-N 426.502 1.781 30 10 IDEE COc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ccc1S(=O)(=O)N1CCCC1 505018566 LSVDOVQBVANCIX-UHFFFAOYSA-N 434.518 1.570 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 506267599 CENFMYFBNMATJU-UHFFFAOYSA-N 428.392 1.265 30 10 IDEE COCc1nc([C@@H]2COCCN2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 508670088 KQCVIHSAVWCZTH-SJORKVTESA-N 440.460 1.366 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C 511725506 VHGNWLVPHDLPEB-UHFFFAOYSA-N 440.550 1.320 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCCO1 514334228 ZRJPGXQIDQYWSJ-INIZCTEOSA-N 431.945 1.771 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)CC2)n1 544887716 FSHGZTIXBKUMBJ-QFIPXVFZSA-N 434.544 1.728 30 10 IDEE COC(=O)c1cn([C@@H]2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2)nn1 546218518 WWCULTOPEBEYBH-CQSZACIVSA-N 440.851 2.254 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCN3CCOCC3)c2=O)o1 612196846 JWKZGGHBVCHNOA-UHFFFAOYSA-N 449.532 1.529 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc3cccnc3cc2Br)C1=O 676377671 FENTXGRNPCEGIB-UHFFFAOYSA-N 431.246 1.590 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN(c2ncc(Br)cn2)CC1 707623942 XTYVVSGXTYKFKZ-UHFFFAOYSA-N 426.134 1.600 30 10 IDEE CCN1CCN(C(=O)c2ccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 732428210 CDFQZLZCNLFNFM-FMQUCBEESA-N 440.504 1.112 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664854 QDAUVQMNSBOPTK-WMZOPIPTSA-N 429.546 1.483 30 10 IDEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC[C@H]2CCCO2)c1 737304948 DMNSENBVSKSYJM-FZFLATATSA-N 442.472 1.134 30 10 IDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C#N 746773193 RWRNKCBAZVUVPE-UHFFFAOYSA-N 432.477 1.922 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 762564652 KAWAZLPSOZRTLV-MAUKXSAKSA-N 435.546 1.973 30 10 IDEE CCOc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1OCC 764773745 RNICZKQUXLNCKE-UHFFFAOYSA-N 445.497 1.899 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 767741823 UFLLBSXNUZPQHC-KRWDZBQOSA-N 445.524 1.526 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)CCN1C1CC1 776039992 CQRLGTDXRXPHDS-CYBMUJFWSA-N 429.374 1.498 30 10 IDEE N#Cc1c(CCCNS(=O)(=O)c2cnn(CC3CC3)c2)nn(-c2ccccc2)c1N 777875030 GRZXAIOSPVEAJI-UHFFFAOYSA-N 425.518 1.844 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CC1 779620697 QXQDIROMRFIEAH-HXUWFJFHSA-N 434.544 1.619 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cc[nH]n1 789995806 UIBAITJFQMAWNE-VQIMIIECSA-N 435.431 1.533 30 10 IDEE COc1ccc(S(=O)(=O)N[C@](C)(C#N)CSC)c(NS(=O)(=O)C(F)F)c1 795626660 SWDQHGLMTBHKSZ-CYBMUJFWSA-N 429.492 1.583 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 800783190 QBMFYHNCQXLNPR-UHFFFAOYSA-N 446.987 1.972 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccccc1 802262733 QUNPDROFNAVMLK-MAUKXSAKSA-N 429.550 1.113 30 10 IDEE Cc1cc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(C)n1-c1ccc(C#N)cc1 805481864 UFMPSXUBFNWJFD-GOSISDBHSA-N 429.546 1.966 30 10 IDEE N#CC1(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)COC1 811050423 YRRWLOSGJSUPNP-UHFFFAOYSA-N 445.291 1.167 30 10 IDEE Cc1ncc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C#N 813644853 XHRRUKZCJXSTOW-UHFFFAOYSA-N 429.502 1.358 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 915286636 PPAXBDYGTGWRHG-UHFFFAOYSA-N 439.497 1.860 30 10 IDEE CC(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 915372618 NASNSCDJOUFZNF-UZLBHIALSA-N 442.516 1.910 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)n(C)c1 916775410 RTTCAYUDVAWWRE-UHFFFAOYSA-N 438.531 1.187 30 10 IDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cc1 916775531 VRPMMUGAMQLSNC-OAQYLSRUSA-N 440.481 1.280 30 10 IDEE CCN1CCN(C(=O)[C@H](C)OC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)CC1 925043613 BXJOYBUUDBSLKZ-NSHDSACASA-N 446.451 1.866 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=C/C=C/c4ccccc4)n3)n2C)n(C)c1=O 1084606585 FKTYCAVALTYILV-NZLLKADESA-N 437.489 1.351 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811523 OJUJPQUAQSYAPZ-FQEVSTJZSA-N 440.525 1.648 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 1160894403 BTOLBEPBCJVCCN-BHYGNILZSA-N 432.546 1.554 30 10 IDEE C#CC1(F)CN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1176293935 DEHPBGATUATKJU-HNNXBMFYSA-N 430.505 1.728 30 10 IDEE CN1CCCC[C@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 1196728116 UWXSHRKJNSAIHS-KRWDZBQOSA-N 440.504 1.398 30 10 IDEE CC#CC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1227985155 ADEQKXCGHVJHJU-CYBMUJFWSA-N 432.340 1.109 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1233928060 MIZMADUUJGGUPZ-HUUCEWRRSA-N 441.269 1.512 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286299262 UVLRMKVUUUSFRQ-HRCADAONSA-N 439.582 1.894 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286392375 GUXHDGSFAKYXGL-RTBURBONSA-N 431.562 1.706 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1286472323 GLVKIJNIMGVYIX-VXKWHMMOSA-N 445.589 1.655 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC(F)(F)C2)CC1 1286493594 HQTHVFOQWMLLQZ-INIZCTEOSA-N 448.518 1.802 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286611119 FBYRVQICPKHZEQ-QGZVFWFLSA-N 441.598 1.625 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286709581 YGFPTKKJDUMDTE-QGZVFWFLSA-N 448.545 1.932 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(Br)n1 1288169612 HRQYNWAOUJXWBO-CYBMUJFWSA-N 434.298 1.351 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1288524702 GDNPKELZCGMXBH-CRAIPNDOSA-N 448.549 1.298 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1288986244 QOHVBQQOPUANQN-OAHLLOKOSA-N 427.596 1.426 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1292208245 BBTQXURDWBBCPF-OAGGEKHMSA-N 439.524 1.031 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1293215836 GKELAFYJJGXSOJ-INIZCTEOSA-N 428.518 1.109 30 10 IDEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1298025577 FBEOGSCKNLIMAF-OKZBNKHCSA-N 427.484 1.400 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CCC2)c1 1299950504 AYRZYTUMWMSUMC-OKXSDPAFSA-N 445.545 1.992 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1OC 1300041628 SYUUHNXTZKIETP-LEWJYISDSA-N 428.468 1.883 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1300538214 OLEHKZKGJHAGLZ-SFHVURJKSA-N 433.578 1.510 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1300556651 KWELTBSQRSQSHV-KRWDZBQOSA-N 439.545 1.242 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1300767583 AAISRQCUIQTDJK-XLIONFOSSA-N 443.621 1.663 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)C1 1300872734 GXCPLNPHGUFVPO-MAUKXSAKSA-N 425.493 1.185 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1301520476 XSQGEJIOUUDUFO-UHFFFAOYSA-N 436.557 1.858 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1301577581 MAHRXNZIFQUBSC-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301613315 VXDQHWOLMPVWRB-IXDOHACOSA-N 426.608 1.962 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1301956103 DVCUBFUEMBTQLN-FOIQADDNSA-N 433.534 1.750 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(CCC#N)CC1CC1 1302478774 FXIMBBILLADADK-QGZVFWFLSA-N 429.550 1.894 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CCO1 1303530559 FJOORMABHZWBFK-UXHICEINSA-N 427.505 1.862 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1 1303754790 BQDRMMGRUHGQFJ-QZQOTICOSA-N 440.891 1.781 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1304365054 ZBEFYXDPSYIOHC-OAHLLOKOSA-N 442.253 1.800 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)cc1C 1304378195 ABPYCOFDWCZDLD-HXUWFJFHSA-N 449.437 1.971 30 10 IDEE CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306811901 QIGMPCRTSQVNQJ-CZIZESTLSA-N 441.536 1.667 30 10 IDEE CCN(CC1CCC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1313769621 HYRWCZVLTMXYIM-QZQOTICOSA-N 441.536 1.553 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)C[C@H]1O 1315110022 RGYIEMXWPMUZOG-RTBURBONSA-N 435.488 1.382 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1352251999 UMZQNAAPVBHRFI-UHFFFAOYSA-N 441.532 1.545 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358967619 OIBHNZWBIIUDMY-JZXOWHBKSA-N 434.518 1.270 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1358969395 OFBIZVWBRSCUDC-HNNXBMFYSA-N 431.518 1.027 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359136366 HKBHANBRIPQRHG-YADHBBJMSA-N 433.553 1.628 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1 1359332611 BUAHKXOBKRHPLU-UHFFFAOYSA-N 435.598 1.976 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSCC2)nnc1[C@@]1(OC(C)C)CCOC1 1359335237 FNLOQZUXMVNNME-GOSISDBHSA-N 430.596 1.473 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(C)(=O)=O)C1 1360783247 GJIVCJPQWCUIPC-HXUWFJFHSA-N 431.518 1.891 30 10 IDEE COc1ccccc1N1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1440080178 LVVTZVNAGGKEMA-UHFFFAOYSA-N 428.514 1.473 30 10 IDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1440684569 NTLQJPXATYNWGL-OAQYLSRUSA-N 434.496 1.779 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 1447482416 JFQDVPFNXXPWRH-WCQYABFASA-N 442.303 1.993 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 1452936745 QYOQWAYDQVHNHE-NRFANRHFSA-N 426.510 1.442 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CCS(=O)(=O)CC1 1454251046 YYUINOQEGXSAIV-UHFFFAOYSA-N 433.530 1.718 30 10 IDEE COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1455195259 QCYXCNGEFSZSLL-UHFFFAOYSA-N 442.465 1.470 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C2 1460925034 KVJCMVPJBCNPAU-YOEHRIQHSA-N 441.561 1.749 30 10 IDEE CN(C)C(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1462680362 AFOJHAJBDDXXHP-UHFFFAOYSA-N 441.513 1.694 30 10 IDEE CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1463989804 BKQAPAKTFSDLOW-UHFFFAOYSA-N 443.769 1.590 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1464266073 GLLMMLHQOVHINP-UHFFFAOYSA-N 426.502 1.057 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2)C1 1469863567 FHIOIFBEJJOUJX-CPAJTMIGSA-N 427.461 1.747 30 10 IDEE C[C@@H](CC(=O)N(C)CCc1ccc2c(c1)OCO2)/N=C1/NS(=O)(=O)c2ccccc21 1471902908 FPKKSZAPSPJJFJ-AWEZNQCLSA-N 429.498 1.934 30 10 IDEE Cc1nc(C)c(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)s1 1492656344 FNQKTLVSGHQTPG-RDTXWAMCSA-N 438.554 1.938 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(=O)(=O)CC 1503132457 ZSPYJAJCYCTILN-MSOLQXFVSA-N 432.550 1.497 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1504758148 GSTNPLLGYCTGOZ-QFIPXVFZSA-N 442.520 1.218 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507590075 BYAJBBKZUKISRE-VQTJNVASSA-N 448.637 1.198 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1507632276 KJTVZEKAQVPYIB-CRAIPNDOSA-N 429.502 1.659 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1507689926 MPGJCULREIJJGY-SFHVURJKSA-N 429.546 1.694 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2C[C@H]2C)n1 1507713994 FUGMFLLMSKERGU-MSOLQXFVSA-N 425.537 1.653 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2OC)CC1 1507725928 DIOKIPIPVFDNTQ-UHFFFAOYSA-N 438.532 1.221 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507752191 WLOOHRRODNVYDQ-INIZCTEOSA-N 429.550 1.125 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507954036 KENDJEPQJWWXOG-QGZVFWFLSA-N 434.566 1.765 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1507981117 IYRIRGNIBKVRJZ-HKUYNNGSSA-N 448.593 1.758 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1507990714 ICPKABWOXXQNFO-OAHLLOKOSA-N 430.534 1.905 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1508085388 HOFKYBBZJUREQU-KRWDZBQOSA-N 428.512 1.805 30 10 IDEE COC(=O)c1ccn(CCCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 1516203319 JOGJULZCCWBGCR-PTGBLXJZSA-N 447.517 1.901 30 10 IDEE CC(=O)N1CCN(c2ccc(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)cc2[N+](=O)[O-])CC1 1524665210 ZHOXJJOXHYKHLM-UHFFFAOYSA-N 448.439 1.734 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2ccc(C(N)=O)nc2)c1 1525956396 LRRRCOLFSGMIJE-NCELDCMTSA-N 443.529 1.955 30 10 IDEE COC(=O)c1ccn(CCCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 1527274606 UFPXLTFVSOQCNJ-NKFKGCMQSA-N 447.517 1.901 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1528571953 SXAKNIJTUJENLP-IBGZPJMESA-N 428.510 1.990 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)OCC 1531937072 QEXVELDLBOAHIF-OAHLLOKOSA-N 430.910 1.353 30 10 IDEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1I 1536179052 AFVFPQDJWCYWCV-NHYWBVRUSA-N 446.266 1.310 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OCC 1537003776 LXMPBQRGVXRGOV-INIZCTEOSA-N 427.523 1.706 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1538971420 HBDULABPMMHVJC-NEPJUHHUSA-N 430.456 1.808 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 1539026014 PXTQRBGYPMHLLH-UNMCSNQZSA-N 438.576 1.516 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@]2(C)CN(C)C2=O)c1 1539040495 UOKXQSUXOKHVKC-QHCPKHFHSA-N 431.500 1.808 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cn(C2COC2)nn1 1539196742 VXJVSMCINQEWEG-KRWDZBQOSA-N 442.524 1.631 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1539278702 ISIYCQAZSKOCJO-QGZVFWFLSA-N 430.505 1.894 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CCC2)CC1 1539459558 JRHFBZYMWUDNMH-SSEXGKCCSA-N 429.594 1.196 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2([S@](C)=O)CC2)CC1 1539484577 VHQVJWNBUQHECB-PMERELPUSA-N 445.614 1.807 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539557067 KZDOGQLJCMJTBO-AUUYWEPGSA-N 435.575 1.824 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N(C)C 1540126413 GFJXQAJOYMLKOI-UHFFFAOYSA-N 446.577 1.598 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1540135873 CEBQMSFVYSPMSM-MRXNPFEDSA-N 435.525 1.600 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)C1 1540892236 IBXIBWNHGVSELB-HUUCEWRRSA-N 438.579 1.364 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[C@H](C)C1 1540897216 DIUWEBBNWQLYEH-JYJNAYRXSA-N 447.627 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1540901977 WNNDMHGJDFWEJR-UHFFFAOYSA-N 442.545 1.729 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1541052633 IYAZCQNKIXQRRW-SESVDKBCSA-N 438.532 1.709 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCn1ccnn1 1541674603 HAVFAWBXQFYCKW-UHFFFAOYSA-N 448.535 1.296 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCSC2)C1 1541987728 DOQBWNJGOXAOGC-WOJBJXKFSA-N 427.534 1.923 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1548335264 OZHYHEPOAOWAEB-HZPDHXFCSA-N 432.550 1.760 30 10 IDEE CN(C)S(=O)(=O)CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1552889218 BNYVSFOYTWMIAO-UHFFFAOYSA-N 446.581 1.060 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2snc(OC)c2Br)c1 1557597434 WBTCMHDTKRTWEJ-UHFFFAOYSA-N 444.332 1.756 30 10 IDEE N#Cc1cccc([N+](=O)[O-])c1CN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1560026161 XGUOFZCDNIJPSU-UHFFFAOYSA-N 429.502 1.563 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 1583046594 KZZNPKDHVMLCFU-QMMMGPOBSA-N 425.920 1.884 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](CN1CCCC1=O)c1ccccc1)c1cc[nH]n1 1583485879 ZODBKZJWHQHSAB-QGZVFWFLSA-N 427.461 1.173 30 10 IDEE N#Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1583802312 HPRXUOQPPCDTLN-UHFFFAOYSA-N 430.555 1.829 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cnn(Cc2ccccc2)c1 1588159013 OGZJGHKHQISJCJ-UHFFFAOYSA-N 427.512 1.766 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1593768480 FIUYLKWMJOQVSA-CTNGQTDRSA-N 448.612 1.786 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1595465860 AASLRWNCSKTKEA-MRXNPFEDSA-N 439.520 1.116 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(OCC(N)=O)CC1 1595517270 VKZCIGUGKHDLNT-UHFFFAOYSA-N 432.912 1.371 30 10 IDEE N#C[C@@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1cccc(Br)c1 1596286514 QGTDEEICHVPIET-GFCCVEGCSA-N 434.275 1.739 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1611286561 IBRGGBQGECAZOZ-INIZCTEOSA-N 441.511 1.750 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1611633997 RQCXHARMTUAUHT-QGZVFWFLSA-N 428.562 1.948 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC(C)(C)O 1611716812 DWYGVFYENRPGER-JQHSSLGASA-N 446.577 1.793 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cc[nH]n1 1616286091 WGKXZFAHCIFHPO-XMSQKQJNSA-N 446.479 1.723 30 10 IDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1618751775 JEWTXACAJLICBZ-JOCHJYFZSA-N 442.520 1.497 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)CC1 1626966471 DPPQLSBOPNZQNG-UHFFFAOYSA-N 432.524 1.432 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2sc(C)nc2-c2ccc(OC)cc2)CC1 1627015550 VKVMDSKRAQCZHN-UHFFFAOYSA-N 440.569 1.953 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1627215060 XDVODNXCARFESM-MRXNPFEDSA-N 443.976 1.534 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1628216959 FMYXRNIYUKBPKH-UHFFFAOYSA-N 436.306 1.876 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 1629410042 UCWBZNQPKZBYBZ-UHFFFAOYSA-N 436.465 1.107 30 10 IDEE CS(=O)(=O)c1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1629485670 OBZXBAHMJPSZKY-YWEYNIOJSA-N 449.510 1.101 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1cc(CC#N)ccn1 1631054778 IZCLSUOEZNHHCM-ARFHVFGLSA-N 434.518 1.756 30 10 IDEE COC(=O)N[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1644457652 VWUNWAMSNUKYFQ-JKSUJKDBSA-N 429.521 1.786 30 10 IDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC12CN(C(=O)OC(C)(C)C)C2 1644662243 SCZMIVOTBZLDEC-CKJXQJPGSA-N 436.553 1.771 30 10 IDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 1663993215 HIOSVADJIRCHKM-UAGQMJEPSA-N 430.571 1.717 30 10 IDEE C#CC[C@H](COC)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1671669827 VTBGNIZKOCGKNM-CYBMUJFWSA-N 426.311 1.915 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1689945505 FNARFTHBUBAZCU-KBPBESRZSA-N 433.534 1.338 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC=C)cc1 1689966622 XKVNLPNPAIXQHP-IBGZPJMESA-N 445.545 1.294 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1690210692 IBVKEMINARQWDD-MGPUTAFESA-N 447.586 1.696 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690304396 ABPTZBDYJUHKKW-KRWDZBQOSA-N 430.465 1.397 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690670079 YGVGPHJCWXVUHX-YLJYHZDGSA-N 443.596 1.227 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)C(=O)C1 1690733830 OJRWZOCAIAQEHM-UHFFFAOYSA-N 427.534 1.656 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1690746758 JDQQLWBPRCJTCG-GJZGRUSLSA-N 428.584 1.126 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1692513559 LHVITCSQPFXSMD-PDRMZZPLSA-N 427.509 1.035 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1696619554 XZGGFNBQQLOEAH-UGKGYDQZSA-N 433.576 1.888 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1696942627 MDRZUOLLDKFBRI-UXHICEINSA-N 438.532 1.975 30 10 IDEE COCCn1cc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1698073963 QHCRYECQTNHWQG-LEWJYISDSA-N 447.515 1.652 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1698188494 CFDNBFNZHJKCLW-RDJZCZTQSA-N 448.549 1.387 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2COCCO2)c1 1698293339 ARXQPOUBJSPWOP-SFHVURJKSA-N 445.545 1.894 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1698306258 CAMNVCFZJAGUQJ-GOSISDBHSA-N 429.546 1.993 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)(F)F)C1 1698482553 DIPNDEWPKUZYLH-INIZCTEOSA-N 440.361 1.046 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1705502006 QENDACGYADCXAI-HZPDHXFCSA-N 435.525 1.878 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNS(=O)(=O)c1ccccc1 1705503659 AWQBVOMXPDDYDT-LNLFQRSKSA-N 447.561 1.439 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705571197 WPKIDARJLALHJB-LPHOPBHVSA-N 433.553 1.585 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705635124 RTMWIZMGMPHGOD-WOJBJXKFSA-N 432.613 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1705645733 COKVSAIOJRMOJE-UHFFFAOYSA-N 433.516 1.307 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1705713142 UQGPUJDQJRYZLV-NRFANRHFSA-N 433.578 1.818 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705738404 WSPPQDXYKQUHNG-UHFFFAOYSA-N 434.566 1.328 30 10 IDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NC(C)C)CC1 1705767252 FZYFFHRBVSKSLU-UHFFFAOYSA-N 431.566 1.919 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1705947005 XMJGFFLJEZIAOO-INIZCTEOSA-N 441.623 1.547 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC[C@H]1C 1708126657 XOTYDOHEURCDFD-IIDMSEBBSA-N 448.549 1.606 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(-n2cncn2)nc1 1708701299 FSKIBZIGIUJJIN-OAHLLOKOSA-N 436.524 1.959 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1711018631 DCCSLWVQHPNHEM-IAGOWNOFSA-N 446.533 1.157 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2cccc(Cl)c2)cn1 1711251340 FMVYPZRWHWQHSV-XLIONFOSSA-N 427.896 1.968 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)OC 1712160873 GBZGKVQNOYNHOF-PGRDOPGGSA-N 440.504 1.249 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)C1CC1 1712698599 RONFFMBLMZYNFY-MRXNPFEDSA-N 428.518 1.109 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1722281361 YGDIHVWJASPJPK-HUUCEWRRSA-N 433.534 1.556 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)(C)C 1722386869 NYGXPEBGGUEPHV-UHFFFAOYSA-N 426.546 1.505 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722428693 IYFJGSALKVZKFL-UYAOXDASSA-N 440.548 1.536 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)CCOC)CC1 1722448673 GBNZEQUFYNOAPX-QHCPKHFHSA-N 440.548 1.017 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722482838 YPQDKYUEFIEECE-UHFFFAOYSA-N 449.313 1.108 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1722608700 KLRPVSUHTMIVPI-HNNXBMFYSA-N 437.545 1.715 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCSC2(CCOCC2)C1 1722689050 PPZOCFGQZNOXAH-INIZCTEOSA-N 439.582 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CC2)C1 1722727614 KAOJTCXDVRZOPR-HZPDHXFCSA-N 428.580 1.017 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C(C)C)N1CCOCC1 1726403583 HSEZMEYNJGGVNU-YLJYHZDGSA-N 439.568 1.320 30 10 IDEE CCOC(=O)N1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C#N)o2)CC1 1728694922 XSLBMCHMWVDIDY-UHFFFAOYSA-N 443.508 1.988 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1740552486 OFSJDWKFCHFWQC-HUUCEWRRSA-N 446.520 1.469 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1740589069 NYNNDQHFDPZBRE-UHFFFAOYSA-N 428.518 1.878 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740598593 WAWBLVFABNCYGC-OALUTQOASA-N 432.569 1.999 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCCCC2)CC1 1740695776 CYYQRGIKNACIHY-LJQANCHMSA-N 449.621 1.532 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740779091 NYBUBKVXRGSHAJ-TYILLQQXSA-N 440.570 1.568 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740796170 QULYQUHRVFADCI-SFHVURJKSA-N 436.582 1.746 30 10 IDEE C=CCCOCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740889071 VDVKILYYMQKIDQ-QFIPXVFZSA-N 435.569 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCSC2)C1 1740990927 JUWPKESHTNVPKF-KDOFPFPSSA-N 425.580 1.163 30 10 IDEE Cc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1742439816 CUWDEBNFYXDVMH-YJBOKZPZSA-N 432.550 1.564 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1743361305 AIDTYUZUGMVBJN-MJGOQNOKSA-N 437.548 1.629 30 10 IDEE CCOCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1747008646 AJNKKRVGBDYXOM-QAPCUYQASA-N 448.549 1.202 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)n1 1748069123 BXMQTVAEIHWQGD-MRXNPFEDSA-N 431.302 1.738 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1748579375 XMOKNYAETCBTRS-UWJYYQICSA-N 426.477 1.169 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCN2CCCC)CC1 1748971654 YIGVYOOZUJJOHX-OAQYLSRUSA-N 441.624 1.924 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1749465739 HMFXMGXWCLFVSK-NRFANRHFSA-N 437.541 1.846 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)n(C)c1=O 1749598280 UOWHPZNXFDXCAH-UHFFFAOYSA-N 440.504 1.700 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1749733718 AIXUVPXVMCWLPX-GVDBMIGSSA-N 444.623 1.796 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1760104846 HVYIPDBMFDXACT-OAHLLOKOSA-N 435.550 1.702 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1760110207 BMZBXIHFQHWLHQ-CYBMUJFWSA-N 426.493 1.978 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OCC(N)=O)CC1 1760147355 OLAWHOWUJBTCHS-UHFFFAOYSA-N 445.545 1.233 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCS(C)(=O)=O 1760165147 KMMQCTBXGDXJQB-UHFFFAOYSA-N 438.579 1.051 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCC(=O)N(C)C 1760196120 PBDWRNWALAWNNX-UHFFFAOYSA-N 431.338 1.987 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1760196498 OVLNKBHTNQBZNN-PXNSSMCTSA-N 439.482 1.887 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCc3ccccc3C2)CC1 1760252178 NBSKRJCCVDWDIR-UHFFFAOYSA-N 449.603 1.620 30 10 IDEE C#CCN1CCN(c2nnc(C3CC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1760259400 AWAFFMGGLINVNC-UHFFFAOYSA-N 429.546 1.393 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1760262390 XABICBBDWKLIRH-ZCNNSNEGSA-N 449.621 1.531 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760345458 BWIWIKWYUVPKAM-QZTJIDSGSA-N 439.582 1.379 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760520502 PPWAGLOURSPFEG-HXUWFJFHSA-N 438.580 1.247 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COc2ccccc2O1 1762301320 CPCJQQITLSGTSE-IAGOWNOFSA-N 440.504 1.765 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1763955378 CBRDBQYTXSLRNY-VQIMIIECSA-N 441.536 1.679 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1767793728 FRJZTOFLNSWZJF-IBGZPJMESA-N 437.548 1.501 30 10 IDEE CNC(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1767801377 GKEVIHNECNULCW-UHFFFAOYSA-N 434.479 1.814 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1769124890 FRLJCXCOEGMFOJ-AYOQOUSVSA-N 447.561 1.738 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC2(C1)OCCO2 1769846812 HYIWSGSXFLWVTA-KRWDZBQOSA-N 432.525 1.310 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1770081816 LGLQIASAJGMMQS-FQEVSTJZSA-N 431.472 1.327 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCCN2CCCCC2)CCO1 1770747078 LQFSBRHCZSHGSQ-IBGZPJMESA-N 429.569 1.899 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1770782394 ROQLEFGFDFFWHE-HNNXBMFYSA-N 447.490 1.738 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1771347142 BCVDWSQKYLKAFX-MRXNPFEDSA-N 428.518 1.109 30 10 IDEE N#Cc1cccnc1OCC1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)CC1 1849720921 OCDIETZJNHKDMC-UHFFFAOYSA-N 432.546 1.775 30 10 IDEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)NCC#CCN(C)C)c2C)C1 1850925960 RLHRVNPZTDQNBU-INIZCTEOSA-N 427.471 1.764 30 10 IDEE CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)N1CCC(CC#N)CC1 1851669095 VMVSKFYVCYFBJR-UHFFFAOYSA-N 449.577 1.572 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC2(CC1)C[C@@H]2C#N 1852240493 JYGFMWGLZAWRAX-MRXNPFEDSA-N 433.530 1.872 30 10 IDEE C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855734061 GQYNSVCCQHDJGJ-HOTGVXAUSA-N 427.482 1.774 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 1858963804 FVHXRJITWNLJAI-UHFFFAOYSA-N 447.425 1.582 30 10 IDEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868781851 BJHHLQQGAQBHJC-WMLDXEAASA-N 431.562 1.253 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCC(N(C)C)CC1 1870570724 IQIOGNRYQJEFRJ-UHFFFAOYSA-N 446.577 1.738 30 10 IDEE Cc1nnc(SCC(=O)NC2CCCCC2)n(/N=C/c2cnc(N(C)C)nc2)c1=O 1873495550 VBGPTIFYIBKGKP-SSDVNMTOSA-N 430.538 1.226 30 10 IDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCN(CC)CC3)ncnc21 1873562334 YBGBJCHUBQWCBT-UHFFFAOYSA-N 425.581 1.925 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2N)CC1=O 1874549373 PVYZXHCRVLCQMD-NSHDSACASA-N 445.574 1.869 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1962822249 FZSOVEDGEOUACG-HNNXBMFYSA-N 437.346 1.807 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2022845421 HZDMAUOTHLDTPR-BTYIYWSLSA-N 438.525 1.577 30 10 IDEE CC[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2108228347 OWGOXIARJUQQFP-YJYMSZOUSA-N 425.482 1.903 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCO 2130091495 LJPKZCNFFQQJQR-AWEZNQCLSA-N 432.523 1.759 30 10 IDEE COc1ccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1C#N 2195271493 JQWVZXVKWMDAQV-KRWDZBQOSA-N 432.454 1.861 30 10 IDEE C=C(CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2247962577 PWQLOPIYJJWURD-CABCVRRESA-N 446.375 1.321 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)CNC(=O)OC(C)(C)C 2255648778 NYGPBFYSSGRNHW-UHFFFAOYSA-N 436.362 2.000 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831251 SDMPZBLHGNJAIE-VNHYZAJKSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255874146 JSNWJCPCRVWBMK-CQSZACIVSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)NC1CC2(C1)CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267581442 RFAJLHHXAPAZRP-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2312856048 KOAOWJZUEMWUBB-NPJQDHAYSA-N 440.346 1.316 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc2c(c1)OCCO2 2330796565 FTYVHLGPTZKEPC-UHFFFAOYSA-N 433.490 1.613 30 10 IDEE COCCCn1c(=C(C#N)C#N)sc(=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1=O 252587423 YDWVTGYSWVVXNR-UHFFFAOYSA-N 439.497 1.481 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cnc(N2CCOCC2)c(F)c1 463292323 ZXBFZTQBLFJOCO-HNNXBMFYSA-N 440.483 1.139 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 485116231 JVYXNZACVFNOAS-RBUKOAKNSA-N 439.516 1.584 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 505698927 DWNSVHIVCYLZCQ-INIZCTEOSA-N 428.558 1.639 30 10 IDEE CCn1c(CCC(=O)N[C@@H](C#N)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 505987819 VFXYDSPERUZADL-SFHVURJKSA-N 445.545 1.428 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC3)C2=O)n(C)n1 506574849 DRYDYLDSWHVJRI-SFYKDHMMSA-N 443.596 1.285 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@@H]3CN3CCOCC3)C2=O)cc1 508642621 XLNAFSLLQJADNX-RTWAWAEBSA-N 425.533 1.950 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(c2ccnc(C)n2)CC1 508918268 DVJUSJRZYIXZSM-UHFFFAOYSA-N 443.515 1.803 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 508994817 ACJSHORFHYOLAI-OAQYLSRUSA-N 426.565 1.806 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)s1 514707515 NWFMMLFJPSAXSS-KRWDZBQOSA-N 445.570 1.825 30 10 IDEE N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1 521807384 JVMZNGXFACZIFJ-SFHVURJKSA-N 427.482 1.766 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2)c1=O 523306186 SCCHGAHCVOYDMT-UHFFFAOYSA-N 440.521 1.744 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 525266171 ANWMYERQNJQYFS-UHFFFAOYSA-N 430.489 1.548 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1C[C@H]1CCCO1 533361607 JYNFNCVTZVDFKX-GOSISDBHSA-N 446.532 1.400 30 10 IDEE CC(C)N1C(=O)C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c(F)c1 541191778 LKJPLTSEMAMZFK-DOTOQJQBSA-N 433.871 1.911 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543657196 HYPVHVZEJKBGNU-UHFFFAOYSA-N 426.498 1.732 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCO3)CC2)cc1 549869111 YHGZOPHAFODCGO-NHCUHLMSSA-N 438.532 1.739 30 10 IDEE N#Cc1ccc(OC[C@@H](O)CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 555574323 JVNYZHUONLBYOR-INIZCTEOSA-N 437.543 1.170 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@@H]2CCCCO2)cc1 570989870 RNKDPITZGCMZBW-FPOVZHCZSA-N 438.532 1.819 30 10 IDEE COc1ccc(CC[C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 582690476 HOPKWZIAGFLQKM-NRFANRHFSA-N 442.497 1.679 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCN1CCOCC1 588152265 MBHYMHIQQZOGFM-SFHVURJKSA-N 439.581 1.669 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609256716 DXBLFOFUZVXNQR-UHFFFAOYSA-N 432.477 1.983 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccn2)c1=O 726181808 CDZVUXWYSSSDPC-UHFFFAOYSA-N 447.564 1.770 30 10 IDEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)c1 727418634 VBGXZRGMUSNGJV-UHFFFAOYSA-N 439.493 1.537 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCC#Cc3ccccc3)ncnc1-2 729587890 BJFNOMZDKQYODO-UHFFFAOYSA-N 428.294 1.262 30 10 IDEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1 730143841 WUUNAPZVICXKQU-SFHVURJKSA-N 447.605 1.827 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 744013740 AWILETQZRZNVCC-UHFFFAOYSA-N 431.558 1.899 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)cc1 746771884 HVGXDWJJEXIBPS-UHFFFAOYSA-N 444.513 1.792 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)Cc2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 750241730 BUCNTOKTAKFWJL-UHFFFAOYSA-N 446.463 1.501 30 10 IDEE CCOc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751699386 NKKWTQNJYYINDQ-FUHWJXTLSA-N 434.562 1.874 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765546763 FTUMAUHYPZFYEK-IBGZPJMESA-N 438.557 1.601 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C2CC2)C1 772597808 BZJIBLDOECVENJ-DVEDPGPFSA-N 433.509 1.696 30 10 IDEE COCCOc1ccc(Br)cc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 778622806 KJNBVXOJSGBBIH-HNNXBMFYSA-N 444.351 1.835 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780853300 ACEAPHAHDCVZCV-HXUWFJFHSA-N 427.482 1.327 30 10 IDEE Cn1ncc(I)c1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 796695809 GZNSATFZJCEAQQ-UHFFFAOYSA-N 430.227 1.156 30 10 IDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 811138922 UYAYDOMIAJENBA-UHFFFAOYSA-N 425.482 1.559 30 10 IDEE N#Cc1ncccc1COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 813166342 RSESWXQLUQIFLE-HNNXBMFYSA-N 427.438 1.634 30 10 IDEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1 917035586 FGKAXVRWBQXMBP-FPAYPSAMSA-N 430.530 1.746 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 917153954 SEPXTZBYEMEQBR-UHFFFAOYSA-N 432.524 1.959 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)Cc1ccc(Br)cc1F 1116022960 GZQVMFXGTUGIPF-CCEZHUSRSA-N 432.271 1.534 30 10 IDEE CN1CCn2nc(C(=O)OCc3cc(Br)cc(C#N)c3)cc2S1(=O)=O 1128570360 WAXJDPPGFGLKAF-UHFFFAOYSA-N 425.264 1.508 30 10 IDEE CN(C)c1ncc(Br)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1139811927 YUKKNCQGVXDOEK-HNNXBMFYSA-N 443.305 1.708 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCC1(O)CCN(c2ccccc2)CC1)c1cc[nH]n1 1151166399 BQPHEQWBYUBPBX-UHFFFAOYSA-N 443.504 1.231 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)c1 1155665050 VIQPCESXODCKLN-UHFFFAOYSA-N 427.482 1.212 30 10 IDEE NC(=O)c1cccc(CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)c1 1158393767 HHKJSXBNRLCDHK-UHFFFAOYSA-N 426.498 1.405 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)ccc2c1=O 1159588332 INUIMQUZXKUIPN-UHFFFAOYSA-N 449.554 1.291 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)CC1 1189613213 KKMAZOWJBNJHMX-UHFFFAOYSA-N 429.325 1.749 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1 1201531574 XLKHMZUJAKGDJN-UHFFFAOYSA-N 447.492 1.417 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)ccc1OC 1265125116 GSVUCMTYCKGKLY-AWEZNQCLSA-N 433.490 1.137 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1286361759 SUCZAMQAGVRYNE-SNVBAGLBSA-N 432.369 1.830 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286386008 SHPNNQPKDGMBTB-OKZBNKHCSA-N 438.550 1.322 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286390673 BBHCBRGOMADQFC-IBGZPJMESA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1286430406 HKUUKKDRSRZWBC-INIZCTEOSA-N 427.530 1.558 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286592202 QBHVPNHZGIUDIG-HZPDHXFCSA-N 444.536 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286782144 LTDDIWPVRGUKQX-IBGZPJMESA-N 435.532 1.860 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](COC)C1 1286792442 XZWMCKUJNRTXIR-SFHVURJKSA-N 429.521 1.628 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCO[C@H](C)C2)C1 1286799761 AANLUTYXGPUIMX-VSZNYVQBSA-N 441.598 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286815189 NZKUMRYRVPRMMG-DLBZAZTESA-N 443.485 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)C1 1286818553 YAYGZDHHTAUXCH-CQSZACIVSA-N 437.497 1.094 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1288775174 CEIYVJJHABSFJL-MGPUTAFESA-N 434.566 1.803 30 10 IDEE CN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 1289437577 ZHTDDAXFUBRYRW-UJMSNXRHSA-N 439.896 1.395 30 10 IDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 1290836973 JCIKUBUNZTVJBV-QZTJIDSGSA-N 437.562 1.292 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)CC)cc1OC 1294939869 FRAFGCXBTGEXAD-QGZVFWFLSA-N 442.520 1.950 30 10 IDEE CCNC(=O)N1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1 1296302984 SLIAUCHXAVFIBA-OAQYLSRUSA-N 443.508 1.295 30 10 IDEE COCCO[C@@H]1COCC[C@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1296593792 OOLTYTGSBZJXEY-SJLPKXTDSA-N 438.322 1.694 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC[C@](C)(C#N)C1 1299321379 CUBXIJKGJJRJKD-HXUWFJFHSA-N 448.549 1.545 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1299561705 MJIBQMFIQHTEAC-GVDBMIGSSA-N 426.525 1.584 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1300308162 MYCJIFVMFZBGNF-YJBOKZPZSA-N 433.534 1.126 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 1300396505 WIOWRATWNUHYHN-KRWDZBQOSA-N 436.530 1.561 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1300431645 YMPZXMDHZPZKCF-LLVKDONJSA-N 431.440 1.747 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1300491329 HATHJEYUEPUOND-QGZVFWFLSA-N 442.545 1.105 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1300556242 FXRYAZLLZUTHJC-OAHLLOKOSA-N 434.591 1.667 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1300561981 WVMYMYUWDHEUOJ-OAQYLSRUSA-N 444.582 1.680 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300586441 CFDKNYGNNBOEGV-QFIPXVFZSA-N 447.587 1.670 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1ccc2c(c1)OCCO2 1300675171 NBTNUCPLGQGZDL-UHFFFAOYSA-N 439.516 1.500 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)CN2CCOCC2)CC1 1300693003 PURBAIJHABWHKE-HXUWFJFHSA-N 438.576 1.677 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2([S@@](C)=O)CCC2)CC1 1300719904 UYMANCXEFPIKBP-WJOKGBTCSA-N 442.589 1.551 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1300743498 RYQUPPACBYRAQE-OAHLLOKOSA-N 429.546 1.996 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1300767638 CJKXUGQQSOFWSU-QGZVFWFLSA-N 432.594 1.508 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1300806216 RNFUPQQSFCZCNV-DBVUQKKJSA-N 437.566 1.172 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1301120303 NAEGWBJNBVJYIF-SJORKVTESA-N 438.523 1.988 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1301425189 UHYTZZRIAQAZEZ-HNNXBMFYSA-N 449.524 1.295 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2[nH]c3ccccc3c2CC1 1301475258 NZRPLFAADOHXGA-UHFFFAOYSA-N 435.532 1.805 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)N(C)C 1303693931 BSRZMJZIBIKYEF-HNNXBMFYSA-N 436.520 1.287 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1314740864 DIWOUQKVGOSQQB-UTKZUKDTSA-N 429.546 1.849 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1316275333 YUHULMLOHJJUDB-SFYKDHMMSA-N 438.532 1.988 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1316348480 CTPZJSZCZHQSJD-OAQYLSRUSA-N 445.545 1.780 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC[C@@H]2CCOC2)cc1 1316533478 RDQCAEUSUUEARA-QGZVFWFLSA-N 431.518 1.390 30 10 IDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)nn1 1357139691 CXOFJMIHNDTBTQ-UHFFFAOYSA-N 434.522 1.193 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1358961317 WHWSTWSMJSZJNJ-MRXNPFEDSA-N 445.936 1.517 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358965318 SFSWBQLBNKZMDH-RBUKOAKNSA-N 447.630 1.899 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359033534 GAGYJPGPZXKVAN-IBGZPJMESA-N 449.534 1.522 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCn2cncn2)CC1 1359043548 YITCHVVHTWSSRO-UHFFFAOYSA-N 434.504 1.211 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359048135 GJWWEMMSJSGZGT-UHFFFAOYSA-N 444.605 1.719 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359207982 CABIDZZJFHSOFW-HNAYVOBHSA-N 437.570 1.340 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1)C1CC1 1359251567 ORFWVPKDMIFUIC-AEFFLSMTSA-N 438.598 1.108 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359297112 FYXLKMNLRXMAQW-QGZVFWFLSA-N 428.512 1.545 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359326989 PBJMIVLWAISQDO-ZWKOTPCHSA-N 425.599 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359336295 LAKZOWOQSKSDCN-LJCCNALRSA-N 440.566 1.503 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(F)cc1 1360568506 CTYIMOIOSMMDTD-RVKKMQEKSA-N 449.508 1.516 30 10 IDEE C[C@H](CN1CCCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1360596776 HBBQFHJWFVUDJB-MSOLQXFVSA-N 438.536 1.776 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cnn2ccccc12 1360693329 GWJKISNYTYKYKH-MGPUTAFESA-N 442.549 1.714 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1CCCS1(=O)=O 1442502118 LUNYLEZHMQJZME-SFHVURJKSA-N 448.545 1.544 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2nc(S(C)(=O)=O)ncc2C)C1=O 1448757490 STIVDUGIUMZTAM-GOSISDBHSA-N 425.511 1.504 30 10 IDEE CSc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)N(C)C)cc1 1457832252 GLPAYYZSHXQSPX-IBGZPJMESA-N 432.571 1.978 30 10 IDEE CN(CCN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(S(N)(=O)=O)cc1 1460165649 ALCLVARRIXXSKX-HXUWFJFHSA-N 427.530 1.379 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)c(O)c3)CC2)cc1 1469900774 PDDNLHWKAUXVSZ-UHFFFAOYSA-N 444.513 1.154 30 10 IDEE N#C[C@@]12CN(C[C@H](O)COc3ccc(Cl)cc3Br)C[C@H]1CS(=O)(=O)C2 1473823278 FEOLRRWLQSLHQH-RBOXIYTFSA-N 449.754 1.712 30 10 IDEE CCCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1500634886 RNKVJCINXLMEGJ-SFHVURJKSA-N 438.536 1.639 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 1507596324 GRSCWYCUMUIMPZ-HKUYNNGSSA-N 430.553 1.800 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507623674 VMORIDXEIAFOBJ-HNNXBMFYSA-N 439.582 1.727 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCSC2)n1 1507715658 AYDONLJXNSIRSO-UTKZUKDTSA-N 446.577 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1507738925 ICZSTLXYEQUVDW-BJLXPSRBSA-N 433.578 1.049 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC 1507821081 UAUIKVOTRVEVBO-APWZRJJASA-N 429.587 1.565 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1507893720 NLSWVYRSXCQFQE-UHFFFAOYSA-N 438.532 1.829 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)CC1 1507903216 RNBYCXHKYSMGAZ-INIZCTEOSA-N 425.555 1.050 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1507954062 KJSDPOLOCDKYIX-JKSUJKDBSA-N 427.571 1.581 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C 1508020834 QOKCCVJYDYPRDE-ZWOKBUDYSA-N 439.582 1.341 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)(=O)CC1 1508074236 PIHUYVRCVCZBFT-UHFFFAOYSA-N 427.889 1.275 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508086334 NDHJONMNMXAQNJ-PZJWPPBQSA-N 438.576 1.636 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1508104560 JKCCDIWTNQEOAH-RDJZCZTQSA-N 435.550 1.727 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@](C)=O)CC2)C1 1508111521 ZJDUKQZFWTZQGQ-JGVYIQDASA-N 430.534 1.618 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1512494592 YSELBDICUXYVFJ-IWAYJWFOSA-N 437.504 1.404 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1514382259 HXQXFMZSDHVZRH-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1516194806 HLYQHHAWNVRRTI-RBUKOAKNSA-N 426.468 1.442 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1516863691 RUHAPPBZWBMLTH-WJOKGBTCSA-N 436.545 1.702 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1517519917 ZDNXLKVVYUSPDZ-UHFFFAOYSA-N 437.548 1.941 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)C[C@H]1O 1517687191 ACMNGJGOIBNVKI-QRVBRYPASA-N 425.489 1.602 30 10 IDEE COc1cccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1518360872 HFZGZYQXVKGHOS-UHFFFAOYSA-N 430.490 1.452 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1nnc2n1CCCCC2 1519166662 XESIFOLSUSXYMY-KRWDZBQOSA-N 428.541 1.905 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)NC(C)C 1539030322 QGEDNPBAUDCXBD-AWEZNQCLSA-N 438.579 1.055 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1539205695 JHYPYQVRAKJGCJ-QQINGMOHSA-N 436.578 1.912 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1539258099 ZFUGMIFXOHPTBB-UHFFFAOYSA-N 435.509 1.895 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1539289019 LAGATVMNRPJRIS-UHFFFAOYSA-N 449.478 1.826 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncnn1C(C)(C)C 1539400976 OHFSEFKOPRMKKB-JOCHJYFZSA-N 445.568 1.800 30 10 IDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1539444949 YKVVYUOVSLDIGR-UHFFFAOYSA-N 433.560 1.964 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C)COC2)CC1 1539484180 GEDMYQOCEHCUBV-UHFFFAOYSA-N 428.562 1.636 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)NC)CC1 1539488810 OKFSJFOSXQTFQH-UHFFFAOYSA-N 442.495 1.098 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1540866776 ZRRLIRBZSZFJHB-NRFANRHFSA-N 432.492 1.353 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540917003 LVBCUYVUVDATQQ-SFHVURJKSA-N 434.610 1.446 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1541276362 YUAIQFJKBDIASF-GOSISDBHSA-N 444.561 1.602 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 1545647356 LNOIQCUFLXIYIA-JGWKNBOWSA-N 441.406 1.769 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1OC 1546587283 HLZPLICKEGJESB-IBGZPJMESA-N 447.499 1.895 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1556586214 PSGZTHDGYSVHCZ-OAQYLSRUSA-N 434.493 1.838 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1559939025 FAFFOURTOATOOC-LJQANCHMSA-N 431.558 1.457 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1559939677 WRHIEFZJARJYAF-MRXNPFEDSA-N 425.501 1.533 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC)C(=O)OC 1561640060 CAPMUIDSDMTSQC-SNVBAGLBSA-N 435.252 1.518 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)OC)n(C)c1 1561922121 CYAKNUOMFWUIKD-UHFFFAOYSA-N 439.534 1.835 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1569560510 JPLBSSUDNWYVBW-INIZCTEOSA-N 447.469 1.369 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1587638145 CEEFRGROWUBMSF-IECFSIQFSA-N 439.582 1.273 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1588083418 GXQHUZQHSSZRJR-APWZRJJASA-N 446.552 1.403 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1588387450 TYPYWEMWSIANKM-INIZCTEOSA-N 427.596 1.010 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1588482534 SSICHYQQAHZPFM-OAQYLSRUSA-N 432.521 1.874 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1588673172 MMHIOPMRIAYCHP-UHFFFAOYSA-N 444.580 1.132 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2CCCO)CC1 1588780074 GQLKVVHHBQFFRS-OAQYLSRUSA-N 438.576 1.556 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)CC1 1588876944 OVQCYBGITFNZOQ-RTXPOLOASA-N 431.581 1.492 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1595529665 CHXNFHLWLWDBAT-HNNXBMFYSA-N 439.524 1.404 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1595576967 DLRVBLKGELBDKD-APWZRJJASA-N 440.504 1.271 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2NC(=O)CC2(C)C)C1 1595665605 YBZJBNPPBWSFAM-DLBZAZTESA-N 432.569 1.893 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595831533 RSGRWJDFCVJXKA-OXQOHEQNSA-N 440.566 1.505 30 10 IDEE CC(C)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1602883379 DKSXVEIUVRKJPM-DPPKGPFUSA-N 443.552 1.229 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1612717323 ANQVBTWHWVDHIV-CVEARBPZSA-N 432.550 1.903 30 10 IDEE COc1ccccc1OC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1619439319 BFMLGQRKCMCEHA-IRXDYDNUSA-N 442.520 1.869 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1620086412 MOELGMADQTWFQH-ICSRJNTNSA-N 426.521 1.988 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1626364453 NQKRNOMBIHSGFF-ILYVXUQDSA-N 442.578 1.754 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCCCCS(N)(=O)=O)c1 1630351648 XMUZTNGEKYOULP-SILNSSARSA-N 430.552 1.287 30 10 IDEE C#CC[C@H](COC)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1631077054 AWHYSWMGXKJEST-OPAMFIHVSA-N 449.507 1.924 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](c4cc(O)nc(O)n4)C3)CC2=O)cc1Cl 1631833226 VRULQAWTNOLCCF-STQMWFEESA-N 427.848 1.782 30 10 IDEE CSc1nc(O)c(C(=O)N2CCn3ncc(I)c3C2)cc1C#N 1635676423 VYEJAOVJUJVPIF-UHFFFAOYSA-N 441.254 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C 1638141805 GIYRECGNHGHLBJ-UHFFFAOYSA-N 436.534 1.694 30 10 IDEE Cc1ccc(-c2nnc(S)n2CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1640636393 DQRRQDJUMUWIJH-UHFFFAOYSA-N 437.485 1.150 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1641764937 WZISMHLWBJHEGI-HTAPYJJXSA-N 439.553 1.712 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1647944918 WCXFYTFACBCRLN-OAQYLSRUSA-N 448.608 1.502 30 10 IDEE Cn1c(=O)[nH]c(N2CC[C@H](Cc3cccc(I)c3)C2)c(C#N)c1=O 1651084584 NYAUKLWUJJEKSR-GFCCVEGCSA-N 436.253 1.619 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O 1653039320 FISCGQMOAABLGB-SNVBAGLBSA-N 440.403 1.364 30 10 IDEE C=CCN(C(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C)[C@H]1CCS(=O)(=O)C1 1662527792 ATJPMWUWHZWULJ-INIZCTEOSA-N 434.518 1.991 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1)C1CCOCC1 1677150495 NBXSPHGLZGYLRP-INIZCTEOSA-N 425.507 1.170 30 10 IDEE CC[C@H](Cc1ccccc1Br)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1680189268 CPMNLXRXXBJYFG-CQSZACIVSA-N 434.294 1.904 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 1683425716 RCQIEVJDQQUEFS-UWJYYQICSA-N 427.549 1.804 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3cccc(COC[C@@H]4CCCO4)c3)C2)c(=O)nc1O 1684196266 DHTFUTFDQNKJCI-IBGZPJMESA-N 439.472 1.283 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)Cc2cn(C)c3ccccc23)CC1 1684428153 BRRINNODOKQNTB-SFHVURJKSA-N 431.562 1.294 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)CC1 1684660459 PSEAOZCGADLWJF-UHFFFAOYSA-N 440.529 1.889 30 10 IDEE CCO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1SC 1686877311 IWDKLJFVHCXVOY-KURKYZTESA-N 438.575 1.483 30 10 IDEE C=CC[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1686987020 MYSVRYITBSJDPQ-GOSISDBHSA-N 436.578 1.755 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1689907495 AEWGLBPQGHEETM-UHFFFAOYSA-N 434.544 1.951 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690174801 KLUZEXWDRUOLFZ-YJBOKZPZSA-N 427.530 1.824 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1690174814 KOXFDUZYZHUROL-SFHVURJKSA-N 447.586 1.672 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1690432700 JLIOZEORCPVOJX-SFHVURJKSA-N 439.626 1.941 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1690496927 CCCRBAPTQXEYKN-UHFFFAOYSA-N 428.541 1.167 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)C 1690518818 WKHCYDQHUVMKHR-UHFFFAOYSA-N 434.566 1.732 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1690570170 YHOCCCLZUPCUSI-QGZVFWFLSA-N 435.525 1.996 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nncn2CC)C1 1690687777 JDWAIULWXYSKJO-UTKZUKDTSA-N 431.541 1.760 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1694947978 KLQMEHVPVOHSGH-LTCJTPMSSA-N 430.509 1.661 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)CCOC1 1696085898 FWEQCIIRRKXCOS-NPAIAAHTSA-N 425.555 1.206 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)C1 1697044459 CWSCWLJRGFDJAX-IBGZPJMESA-N 438.532 1.927 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1698191375 MXJQDZDDVDJCQY-REWPJTCUSA-N 440.548 1.515 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1705534217 BYYADTIOXQATLE-IAGOWNOFSA-N 447.536 1.999 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1705540370 XCVDDMOCNOJYQH-OAQYLSRUSA-N 436.560 1.875 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1705546501 KEGHAVKMLKAFFH-SFHVURJKSA-N 439.442 1.921 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705563372 WGGPKJURPADRRK-ICSRJNTNSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705571369 YYNHWZOOQMOYJW-VQIMIIECSA-N 437.591 1.422 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CCCCC2)CC1 1705639081 FRUHHYZABXZYGY-AVRDEDQJSA-N 449.621 1.267 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)CCOC)CC1 1705648977 FQQZBMZORBQHTD-QFIPXVFZSA-N 426.521 1.093 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)cc2)CC1 1705651423 WKUMPDROZMNEPI-UHFFFAOYSA-N 438.507 1.554 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1705702589 ICQVVGMLFFEHHH-UYAOXDASSA-N 426.521 1.616 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCOC2(CCOCC2)C1 1705898815 YSHHYSDRKZIFQU-UHFFFAOYSA-N 427.505 1.642 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1705900842 RLTKSCHDZPYYKW-SFHVURJKSA-N 441.442 1.893 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705908652 SVPVCWKWYAOZQO-ROUUACIJSA-N 441.488 1.836 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1 1705911122 YZMZFHSQXPESSE-UHFFFAOYSA-N 429.546 1.696 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1Cc1ccc(C#N)o1 1706894683 XENIBTWZRBLYJZ-HOCLYGCPSA-N 448.549 1.654 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1712455235 YXLCNRMPIBXARS-LXPRWKDFSA-N 439.582 1.752 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722364607 IJHIXADHHQXACH-IBGZPJMESA-N 437.525 1.645 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1snnc1C 1722375703 SARSTMIAGOZPFW-UHFFFAOYSA-N 426.527 1.630 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1722429242 OWAOCCFFXCMHEL-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2CC2(O)CCOCC2)n1 1722430104 XCRVTBNAHYWBQT-UHFFFAOYSA-N 444.580 1.891 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722461050 ONHGTYLXQZOVSY-GOSISDBHSA-N 440.573 1.800 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1722473252 BGZSHDYERUBKFO-WOIUINJBSA-N 449.621 1.409 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722505089 ISWYCSLILTWQPK-MAUKXSAKSA-N 434.566 1.772 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722505492 KGQXDSNLKMABQR-NXHRZFHOSA-N 434.566 1.673 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)C(=O)C1 1722508622 SWTFQQDULUBUFC-XLIONFOSSA-N 428.537 1.560 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722696457 OFMMYBYMHZZIMM-UHFFFAOYSA-N 448.487 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C2CCC1(C)CC2 1722724253 RHPLVHHOCDUODW-CBCUQQMYSA-N 431.584 1.010 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1722726248 ZUVYNVXPDWMBFK-SFHVURJKSA-N 436.582 1.721 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CC2)C1 1722727611 KAOJTCXDVRZOPR-CVEARBPZSA-N 428.580 1.017 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC 1730048531 FIUDMVSVVOHJNJ-VBKZILBWSA-N 449.533 1.108 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1730997501 FTRCQDOBZKFIJF-RTBURBONSA-N 445.545 1.636 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccn(C)n1 1740537100 AQZUEMBVBAONGZ-CQSZACIVSA-N 426.550 1.786 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1740543047 HWYFRCZXAIGNOW-JKSUJKDBSA-N 425.489 1.627 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1740626554 VPHQXTPKBPFKKB-IBGZPJMESA-N 443.573 1.707 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1740631749 UWYMVJVVBJAQBK-NSHDSACASA-N 443.426 1.566 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740865777 VSCNZRUDCQFOBP-MRXNPFEDSA-N 447.565 1.123 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740874011 KXFVPQGIBNRQRE-YSIASYRMSA-N 443.596 1.574 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1 1740970035 YVWYARAYFPCUFM-QGZVFWFLSA-N 439.520 1.304 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1741000762 GFBGAOMAJJUZDX-OAHLLOKOSA-N 432.529 1.404 30 10 IDEE CC(C)Oc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cn1 1741735915 AWKQWDGHFDMYLG-IAGOWNOFSA-N 446.533 1.139 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748811119 BXXIUHBPTKTYNM-KRWDZBQOSA-N 427.534 1.495 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2cc(C)on2)n1 1748971718 ZQZBHMFGAZCPLW-QGZVFWFLSA-N 425.493 1.609 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)OCO3)CC1 1748978432 OLWUYDOAJUJOTC-KRWDZBQOSA-N 427.505 1.534 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1748979364 YALXGFKXLUYJRZ-KUHUBIRLSA-N 449.353 1.331 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(=O)N(C)C2CCCCC2)CC1 1749016415 DLBOJHCBCPPPES-UHFFFAOYSA-N 440.592 1.988 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749193963 VBLMNLCQSKGPDE-QGZVFWFLSA-N 443.573 1.780 30 10 IDEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1749415293 NWLGMLCTCVTBEP-SFHVURJKSA-N 445.520 1.888 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)CC2)cc1 1749684537 ZDKJXIKBPVDKDI-FQEVSTJZSA-N 440.548 1.611 30 10 IDEE CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1750687480 HWGBLLVGLIYLCA-OALUTQOASA-N 446.577 1.863 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1752429292 YCUJWQYVIJQHOX-KRWDZBQOSA-N 439.564 1.888 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1760116244 GLCNGVOJZPWXJQ-LPHOPBHVSA-N 431.562 1.680 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1C 1760205739 IOZSFMYNUFSKLE-UHFFFAOYSA-N 438.536 1.642 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1 1760515351 DEBSVABGASRVHL-CQSZACIVSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](CC)O[C@H](C)C1 1760521569 XJXBASWZTPCOJW-CABCVRRESA-N 437.504 1.900 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1763257413 ZJSJRVOXCLCGCG-MAUKXSAKSA-N 429.550 1.039 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc([C@@H](C)O)cc2)CCOC1 1767481114 AQKIXGBMQFDEMU-GTCCEBARSA-N 427.505 1.761 30 10 IDEE CCOCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767792549 AQGFOALKQVDBPE-ISLYRVAYSA-N 432.525 1.735 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)OC 1770010467 XBXRNUITSSAPKW-CQSZACIVSA-N 430.509 1.962 30 10 IDEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1771053880 IJZQTRXKVXJEHG-OTWHNJEPSA-N 429.546 1.960 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NC[C@@H]2C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772788879 ILMSUYQESDMQOQ-CQSZACIVSA-N 429.429 1.114 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 1772790929 VTNYGNUASITYFO-UHFFFAOYSA-N 428.466 1.983 30 10 IDEE C=CCN1C[C@H](C(=O)NCCn2ccn3nc(-c4ccc(OCC)cc4)cc3c2=O)CC1=O 1852762909 NOTZIKWTKAVVCV-GOSISDBHSA-N 449.511 1.712 30 10 IDEE CC(C)(C)CC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854320041 BJXIALNRGCFUDD-KRWDZBQOSA-N 432.546 1.428 30 10 IDEE N#CCC1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856549854 HITSZDNIGWQKTR-MJGOQNOKSA-N 436.578 1.334 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C3CC3)CC2=O)[C@@H]1c1ccc(C#N)cc1 1856674242 IQJWYBVPXWGGAO-LEWJYISDSA-N 426.542 1.785 30 10 IDEE CC(C)N1CCCC[C@H]1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856738697 NAJYZKCCSNTCRT-DLBZAZTESA-N 426.539 1.162 30 10 IDEE CC1CCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 1869940612 UHIUOPGFHZUOMY-KRWDZBQOSA-N 428.518 1.998 30 10 IDEE N#Cc1nnn(-c2ccc(N3CCCC3)cc2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870143972 JLLXURQOBOODAS-UHFFFAOYSA-N 441.451 1.974 30 10 IDEE COc1ccc(CCN2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1OC 1873527812 RZIWMSUVYSPXQS-UHFFFAOYSA-N 430.530 1.925 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1910954456 XFPIFGYNLAKRGL-OAGGEKHMSA-N 438.525 1.718 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1987170682 VSLBBRANBHMNJX-CQSZACIVSA-N 426.514 1.672 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523725 JRCNOZYKTAIANZ-YJBOKZPZSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124542958 LLHKOUWFMLBLAS-UHFFFAOYSA-N 448.369 1.874 30 10 IDEE C=C(Br)CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2244220134 WZEHSUUDZXYGMD-AWEZNQCLSA-N 449.323 1.625 30 10 IDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244281431 WYEQJCHCROEGGC-CQSZACIVSA-N 431.530 1.210 30 10 IDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248433086 FNUWWGNJRQHGOG-CYBMUJFWSA-N 436.343 1.725 30 10 IDEE Cn1cc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609591 IMWDHKOHDGIYSI-KBPBESRZSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255712851 SKCJBIRKKODIDZ-ZFWWWQNUSA-N 436.314 1.536 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255824247 DJPVNKNEUFDXMR-CQSZACIVSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)N1CC(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2256027539 NQKKWALWVVGYHP-UHFFFAOYSA-N 433.314 1.422 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2256054870 AOSRNEONXZVUGI-AWEZNQCLSA-N 432.330 1.809 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267124096 HKDPBXHAUCLRDR-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268708284 ZCHWKXNLQUORBM-IXDOHACOSA-N 445.325 1.954 30 10 IDEE CC#CCN(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2300603233 LSPMLVOUMKAKGZ-UHFFFAOYSA-N 436.343 1.458 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)n1C 2315630116 KMXXETLLLQVDCD-UHFFFAOYSA-N 436.318 1.308 30 10 IDEE COc1cc(Br)cc(C=NNC(=S)NCCN2CCOCC2)c1OC 2323044312 IMQCHSJZGVBRED-UHFFFAOYSA-N 431.356 1.597 30 10 IDEE O=C(O)C=CC(=O)[C@H]1CNCC[C@@H]1NC(=O)c1ccc(I)cc1 2328239594 ZEZHPTYOGSSQMY-STQMWFEESA-N 428.226 1.209 30 10 IDEE N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 20059781 JOYWDFOZLVUSTR-UHFFFAOYSA-N 426.564 1.127 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cn1 59914158 NMVRYBQILSKYKB-DNTJNYDQSA-N 433.473 1.151 30 10 IDEE CCCC(=O)O[C@]12[C@H](O)[C@H](C)[C@]3(O)[C@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]43)[C@@H]1C2(C)C 256078473 FZXHDWWEDNRATG-RVTOCCFESA-N 434.529 1.281 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 433224647 BQVLZWFAGIHZFV-GCJKJVERSA-N 439.516 1.011 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCCC(=O)Nc1ccccc1C#N 439937089 XMFKVDVHPQTIMH-XNFNUYLZSA-N 427.457 1.619 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 443477566 QVZLHTMUSWBGHS-CQSZACIVSA-N 442.335 1.580 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447269935 DVQCPDUWHLSPMP-UHFFFAOYSA-N 428.464 1.814 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@]3(CCCOC3)C2)CC1 475735334 CHTQPFNUGLLKOK-JOCHJYFZSA-N 446.573 1.284 30 10 IDEE CC[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@]2(CCOC2)O1 478333905 DHWAWWMPEOULPU-UGKGYDQZSA-N 447.557 1.755 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478745006 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436.468 1.692 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 604535620 YBOJQJHGCGPEMW-UHFFFAOYSA-N 433.516 1.134 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)cc1B1OC(C)(C)C(C)(C)O1 694969084 ZLWWKBAOPSASLN-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(-n3cncn3)cc2)CC1 734750500 WEWAXVAPFFLBEE-UHFFFAOYSA-N 426.506 1.044 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)NS(=O)(=O)N2CCC[C@@H]2C(=O)OCC)cc1OC 735772687 UPJMSGLOMAXASU-HGPCXVNDSA-N 438.502 1.662 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(OCCc2ccccc2)c1 737304730 AZGRXKFYZAQVMF-DQRAZIAOSA-N 448.479 1.889 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1OC 747580208 GAAWJBPMCVVAEK-QZTJIDSGSA-N 430.505 1.955 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)c1 749250963 FSMBUCMZHVZVLY-UHFFFAOYSA-N 428.510 1.930 30 10 IDEE COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1 782250534 YEWBCHKDMVVPOW-UHFFFAOYSA-N 442.456 1.349 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 794308764 NHCWXPXPOMCART-HTAPYJJXSA-N 449.573 1.936 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)o1 796148731 OSLOORPWFUTPAJ-MDWZMJQESA-N 429.454 1.453 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)n1 802368243 RTJXUJWHWMMBLT-HXUWFJFHSA-N 425.489 1.876 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 803133399 WSWGVGHBUZAHPF-MRXNPFEDSA-N 430.505 1.946 30 10 IDEE C=CCS(=O)(=O)NC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 810643367 JRQJOVKEHZHKNH-JCTPFYOHSA-N 426.494 1.098 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 819462887 CEPLFQDVXRBKGA-UHFFFAOYSA-N 433.534 1.003 30 10 IDEE O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)NN=Cc2ccc3c(c2)OCO3)c1 1084146374 YTBXMGRYTVATKK-UHFFFAOYSA-N 434.430 1.473 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCc3c(OCC(N)=O)cccc32)ccc1F 1129193286 LNAOBVHVGURJTH-UHFFFAOYSA-N 447.488 1.747 30 10 IDEE Cc1cc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)nn1-c1cccc(C#N)c1 1133373307 JFEMVCBGQQLAAX-UHFFFAOYSA-N 430.468 1.215 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOC3CCSCC3)CC2)cc1 1134629096 FLQRWKMCZAHGCI-UHFFFAOYSA-N 437.587 1.987 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)s1 1150953273 DYYOPADDHNYNAP-AEFFLSMTSA-N 440.635 1.239 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H](C)N1CC(F)(F)F 1158447359 DOXGTHHWSQEQOF-OKILXGFUSA-N 432.468 1.976 30 10 IDEE N#CC1(C[C@@H](O)CN2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCOCC1 1169012729 ABZCWBQBUYJEGK-DHIUTWEWSA-N 440.588 1.867 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CNC(CO)(CO)C(F)(F)F)CCCC2 1196285920 WFKPCAAZUJMPCL-CYBMUJFWSA-N 444.454 1.231 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2Br)CC1 1215756311 JNHZHFVJUBWGHL-UHFFFAOYSA-N 435.731 1.720 30 10 IDEE COc1ccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1S(C)(=O)=O 1219139059 AIMYAAVXVZNNLE-OCCSQVGLSA-N 438.506 1.979 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286349531 JSQOIAZFFHNTOU-QGZVFWFLSA-N 447.536 1.845 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCOCC1 1286398865 RKVPIMDUBGMFMS-UHFFFAOYSA-N 434.544 1.370 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CN(CC(C)C)CCO1 1286411112 MQYFHGDZWPPZAO-JOCHJYFZSA-N 445.571 1.946 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1286421629 YWLBHPYMMDOGQC-AWEZNQCLSA-N 449.606 1.549 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1286483234 DEAFNXUTQLKTQU-HXUWFJFHSA-N 441.624 1.666 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)CC1 1286537503 DPIFHGCGPICWSU-AWEZNQCLSA-N 435.330 1.198 30 10 IDEE CC(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286955055 UIJNKMOWFCQCAC-HXUWFJFHSA-N 437.548 1.868 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@@H]2CCOC2)cn1 1286970642 PXQHVTQSXJWDIB-DLBZAZTESA-N 426.525 1.397 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCN1CCC[C@H]1CO 1288126097 NEKBIUPAWXQBSD-AVRDEDQJSA-N 431.585 1.783 30 10 IDEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1289584133 XLMCHBYBTVDHTB-FAGJFJLWSA-N 437.514 1.889 30 10 IDEE CCO[C@@]1(c2nnc(N3CC=C(C)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1296575879 AZHNCPNPYKXACZ-OEAGWNGGSA-N 442.520 1.613 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)(C)C)nc1 1300271004 FZVFQSNKNSKWKD-HUUCEWRRSA-N 434.566 1.967 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1300412305 UZEOMNKVJDXANC-KRWDZBQOSA-N 446.552 1.702 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1300534620 CNNVLQIZPGVTJA-SFHVURJKSA-N 442.564 1.944 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCc1ccco1 1300595419 AHZYJHLVYKROGX-PXNSSMCTSA-N 425.489 1.374 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1n[nH]cc1I 1301171230 ZFINKVXGFLMQKB-QMMMGPOBSA-N 445.242 1.191 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCC2)C1 1301568794 XZJQPAHYTNYFAQ-UHFFFAOYSA-N 446.533 1.286 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(C(F)(F)F)ccn2)CCO1 1303001680 GTXIWSOPTABDPH-INIZCTEOSA-N 449.437 1.899 30 10 IDEE N#CC1(C[C@H](O)CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)CCOCC1 1307551318 GKOBUNNNUNJOOA-NRFANRHFSA-N 426.561 1.655 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCc3c(CC(N)=O)cccc3C2)CC1 1307997316 PQYOTBXXKLAGMO-FQEVSTJZSA-N 437.569 1.543 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)CC1 1309870472 PGXMVABZPFKGNS-UHFFFAOYSA-N 433.299 1.751 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@@H](CC(C)C)C(=O)N3CCOCC3)CC2)c1C#N 1312910927 CZGWFHMJJKTWGP-KRWDZBQOSA-N 434.566 1.428 30 10 IDEE CCOCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(C#N)o1 1314330912 ILYKKTDYUMTOGN-GFCCVEGCSA-N 426.399 1.832 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CC1 1316352503 UPCOQTPGPJJRKU-UHFFFAOYSA-N 446.577 1.841 30 10 IDEE COCCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cc(O)ccc1C 1322450837 ZEMRMVBFIOGPQZ-UHFFFAOYSA-O 438.551 1.619 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCN(CC)CC1 1358880188 GRSTXOYXLVBYSH-IBGZPJMESA-N 448.579 1.406 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1358958991 ZPRZVGIQWRPPLO-OXJNMPFZSA-N 436.534 1.261 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358961145 SGHNWFOAJSKESW-SFHVURJKSA-N 432.550 1.122 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1358984839 IHORKEJZEVCMOJ-IAGOWNOFSA-N 432.550 1.247 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCCN(CC)S(C)(=O)=O 1359072050 NHNDEHQHPNOWSF-OAQYLSRUSA-N 430.578 1.928 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1359092174 XVLAVTPKCUCGGX-WWNBULGVSA-N 439.582 1.486 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1359113120 AGANNAFLECJFQB-HNNXBMFYSA-N 436.582 1.935 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359226840 NTTKBKQZUUQPKO-FQEVSTJZSA-N 446.596 1.509 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)OC)CC1 1359303681 XBTVJTCUHPWCCC-UHFFFAOYSA-N 427.505 1.591 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1360262001 MGSXVVMGDQEKKM-MSOLQXFVSA-N 438.546 1.812 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1360469395 CDVNYDMLJLZZDY-HNNXBMFYSA-N 432.550 1.955 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C 1360542435 VXMCWBKOPHTCIV-IIBYNOLFSA-N 428.562 1.782 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2F)C[C@H](C)O1 1441783484 LJZPDMKPGZPFII-KBPBESRZSA-N 429.452 1.280 30 10 IDEE CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1445034119 GDGAYCMNMCWICO-YWMAMYRUSA-N 444.454 1.942 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1=O 1448512589 CZCCPOOQQQDYCF-HNNXBMFYSA-N 441.575 1.000 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1449476487 AOGGKRVZSGOARQ-JKSUJKDBSA-N 442.459 1.966 30 10 IDEE Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1S(=O)(=O)NCC#N 1456932388 MQLSWKHUAKJFQT-FQEVSTJZSA-N 443.573 1.896 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1470188158 KUXFTQCBPHOWBC-OGHNNQOOSA-N 448.492 1.211 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)C1 1477814140 MAAHCARCKKYAMB-MRXNPFEDSA-N 426.608 1.718 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)CCc3ccccc3)CC2)cn1 1478518030 BFFYMOJERIEOTM-UHFFFAOYSA-N 427.530 1.442 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1493168536 FQJLFXQYLBLJHL-OAHLLOKOSA-N 442.545 1.308 30 10 IDEE C[C@@H]1COCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1494589618 FLGVAMRCTAVNGG-IWHJNQCMSA-N 428.518 1.682 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1494721808 MNOJDDDLBNPIKZ-JHBCHSCWSA-N 441.536 1.252 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H](C)O1 1504736330 TUGHVUSLEIGDKT-OXJNMPFZSA-N 442.520 1.495 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)(F)F)CCO1 1505323258 FBYXGHNPEVDSSN-GFCCVEGCSA-N 444.439 1.925 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507588179 GZGJXZUYMBSLNF-ZWKOTPCHSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1507651699 AIHPKCJSWZNLHW-LJQANCHMSA-N 444.580 2.000 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507669903 VBKRVAGHWHKZBM-SJORKVTESA-N 425.455 1.508 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2oc(CC)nc2C)CC1 1507738619 SPXQUZOLCFHUGS-MRXNPFEDSA-N 439.520 1.102 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2ccco2)CC1 1507739610 JLHSOWKDNGCOOK-DEOSSOPVSA-N 448.527 1.730 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1508058868 ITIATFFWQNTQDR-KRWDZBQOSA-N 435.550 1.979 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508093610 VSEWWYLKBFIRIM-MJGOQNOKSA-N 438.532 1.491 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1508260162 MZFOMIRCROHMAK-GOSISDBHSA-N 446.458 1.821 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1516203505 YXAPULMOAOKZIA-HXUWFJFHSA-N 449.533 1.457 30 10 IDEE N#C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(OCc2ccccc2)cc1 1537600986 ALIJRJGMHGDKDT-OALUTQOASA-N 432.440 1.960 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1538000613 RRMZMSQIBXQEFA-TXXWUTRGSA-N 437.537 1.762 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539215825 JTYVOJPOJPUKBC-ICSRJNTNSA-N 442.589 1.699 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1539296257 NSCFNPGDEXDQMG-MRXNPFEDSA-N 439.545 1.470 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnccc2OC)CC1 1539431568 VOXYSLXUOUEFKJ-QHCPKHFHSA-N 440.548 1.526 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539626903 HCJADZWQOOVWMV-OALUTQOASA-N 446.577 1.793 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)c1ccccc1 1539766166 PAKCPNTYWFESLK-KKSFZXQISA-N 444.561 1.318 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1540093187 ZRFOWKSOHJZYKP-UHFFFAOYSA-N 446.552 1.963 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1540191726 QNTZSSZTHKXVMN-GOSISDBHSA-N 439.358 1.741 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1540853354 YXHMJKPORMALAZ-GOSISDBHSA-N 426.564 1.119 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCOCC1 1540864858 NHKJOONBNDAGBK-UHFFFAOYSA-N 431.493 1.500 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)C1 1540864904 ONLXIUHHWCHKHD-UHFFFAOYSA-N 437.273 1.085 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOCC2)C1 1540882427 ILMDGQUPBRHBQD-SFHVURJKSA-N 441.536 1.429 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540904290 LJDQRBCWWIPJCN-RBUKOAKNSA-N 447.561 1.249 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1541395135 KXAWTOKWIBVSBC-SFHVURJKSA-N 432.550 1.617 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1541926338 QMSGCDUIBPTZTN-RDTXWAMCSA-N 448.549 1.797 30 10 IDEE N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1F 1542231806 BNHBZOAGMBRJFE-UHFFFAOYSA-N 431.424 1.859 30 10 IDEE CC(C)N1CCN(CCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 1544462345 BPZHZEJINLQETM-ATJXCDBQSA-N 435.594 1.854 30 10 IDEE CCOC1CC(Cn2c([C@@H](C)CC)nnc2N2CCO[C@@H](C#N)C2)(N2CCOCC2)C1 1548017182 FDDCVJNSSYFYCM-DMONPFRGSA-N 432.569 1.790 30 10 IDEE COC[C@@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555280795 OKYYDNVWVUCYMG-KRWDZBQOSA-N 440.483 1.659 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1556603925 RXAAVFODDMBGFV-GOSISDBHSA-N 434.504 1.305 30 10 IDEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC1CCN(C)CC1 1560055906 RIUZUPKRIZIHPU-FQEVSTJZSA-N 433.622 1.747 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 1568527239 WCBOMWHXBCHBTH-LJQANCHMSA-N 433.553 1.920 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 1587275239 DYKLCTSZHHBXSN-UHFFFAOYSA-N 444.582 1.813 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1587581134 WKJNHGQPIYIBGL-HUUCEWRRSA-N 448.545 1.864 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588124912 VZOIHQCYRHFJQP-JOCHJYFZSA-N 441.539 1.813 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(F)(F)CO1 1588581342 NZAVDRMBJHTXMX-LPHOPBHVSA-N 428.480 1.829 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1C 1588645667 BABHVXPHGAQASJ-SQNIBIBYSA-N 439.582 1.133 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N(C)C)CCSC1 1588673469 PGKRRSDONJRSIC-NRFANRHFSA-N 431.610 1.663 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1594732221 AAFYYYGMOLYYJG-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1594825020 UIXNFUSGCVCBGB-HXUWFJFHSA-N 437.566 1.008 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@]2(CCOC2)O1 1612977692 GTBMWKKQVYSPHI-AOMKIAJQSA-N 440.504 1.201 30 10 IDEE C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(OC(F)(F)F)cc3)[C@H]21 1616175052 LMUZJRPDJNZAAZ-YXMSTPNBSA-N 445.463 1.403 30 10 IDEE CC(C)n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1I 1617488380 YCFISSGZVUIVOQ-HZMBPMFUSA-N 448.286 1.079 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N(C)C 1620018612 GHVDVMNXSCLJFL-MSOLQXFVSA-N 442.568 1.545 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C1 1622345064 GNHGUYWUNUQTRQ-ZWKOTPCHSA-N 442.582 1.815 30 10 IDEE CC[C@H](O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)nn1 1626285482 LOQHZYIWPUCVOD-CULCSUMMSA-N 448.549 1.894 30 10 IDEE C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1626708356 LJXVGFLKLHTYBU-QAPCUYQASA-N 431.537 1.902 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 1629913264 FONWTBRXGCXVQW-UHFFFAOYSA-N 438.502 1.858 30 10 IDEE Cc1ccc(CNC(=O)C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1F 1630158984 BTAPSXFWFRMZFH-UHFFFAOYSA-N 441.463 1.213 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1632005793 QVWGYZFHEHKUMA-MSOLQXFVSA-N 443.610 1.651 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCN3CC(F)F)CC2)cc1 1632967087 GRBAWLHFCDHNDU-KRWDZBQOSA-N 440.516 1.805 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(C)(F)F)CC1 1636173102 IAOLHMHNALNVLU-MRXNPFEDSA-N 442.532 1.939 30 10 IDEE C[C@@H](CC(=O)N1CCCC[C@H]1C(=O)NCC(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1636841202 CBDLGWUYNBTFAC-JSGCOSHPSA-N 442.488 1.266 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)cc1 1637416775 PRIDTUSXEDUYET-UHFFFAOYSA-N 436.530 1.609 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3nnc(O)n3CC)CC2)ccc1F 1643692607 KVZVCOYCRZWXKC-UHFFFAOYSA-N 437.497 1.627 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CN2CCOCC2)cn1 1648697530 ZPNHTPVYEUDWBH-HNNXBMFYSA-N 429.502 1.091 30 10 IDEE CCS(=O)(=O)c1cccc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1654811959 UGYHKRQEZROKBM-UHFFFAOYSA-N 430.482 1.927 30 10 IDEE Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)N3CCN(CCC#N)CC3)cc21 1670678690 FFGFJSJNVJVIMH-UHFFFAOYSA-N 425.537 1.930 30 10 IDEE C=C[C@H](COC)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1680388409 CANJNNCLGBNPPW-KGLIPLIRSA-N 429.258 1.675 30 10 IDEE CN(C)C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Cl)c(Cl)c1 1683255562 AGFRDBQRRJKDHE-HNNXBMFYSA-N 439.303 1.729 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689950000 YWLUXLWXTPRRPV-OAHLLOKOSA-N 433.534 1.313 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1689972381 MZBCULWVPNIOON-NRFANRHFSA-N 436.560 1.852 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nccnc2C)CC1 1690114940 MGKDRMMHOOWCCR-UHFFFAOYSA-N 432.488 1.950 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1690532225 JILKIEMTXGVRLL-UHFFFAOYSA-N 437.548 1.372 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)C1 1690700200 OTRJUKDGGZOMRV-HUUCEWRRSA-N 436.538 1.150 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690723934 DVCASFZISCPKBZ-ABSDTBQOSA-N 440.566 1.505 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1690746760 JDQQLWBPRCJTCG-LSDHHAIUSA-N 428.584 1.126 30 10 IDEE CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1691307874 HQZGIPDEJVKNOC-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)cs1 1693359882 DBFYSAPQPKBUOL-QAPCUYQASA-N 431.566 1.331 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1695769127 LBTYUOWZBXZZJG-HXUWFJFHSA-N 430.534 1.166 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1698318412 YTCLOFNEDYIUDK-QGZVFWFLSA-N 444.561 1.761 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCN1CCN(C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1705560417 KQCZATDQBGMVOJ-GOSISDBHSA-N 436.626 1.054 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705561323 PBVLBPLNBCZVNH-KRWDZBQOSA-N 449.964 1.750 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2nnn(C)n2)CC1 1705644728 AIFFKUZFKAXEFQ-LJQANCHMSA-N 447.547 1.358 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1705674639 NJLYUYCOMHAGBQ-ABSDTBQOSA-N 437.566 1.030 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1705687500 FRVFTIYSPBXMJG-AWEZNQCLSA-N 446.371 1.676 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705890827 KUYDJHJPPLMPRS-GJZGRUSLSA-N 431.509 1.669 30 10 IDEE C=CCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@]1(OCC)CCOC1 1705893388 GRFGSVAGEFICSP-QFIPXVFZSA-N 442.520 1.658 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2)C1 1705914669 DHTBLFAGFUOQLZ-MAUKXSAKSA-N 435.550 1.727 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCOC[C@H]1C 1706315785 HMGZQNSNDQVXCX-QZTJIDSGSA-N 439.568 1.499 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1709829949 HGOIRNBIVURFIL-VQIMIIECSA-N 426.521 1.973 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1722368356 QHKASVNYHHDMIR-IBGZPJMESA-N 444.557 1.856 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCO1 1722420102 FTMACPZTVIUPSP-SFHVURJKSA-N 447.561 1.460 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCN2CCC)CC1 1722440501 JUVLPLXAVAAZGP-HXUWFJFHSA-N 427.597 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N(C)C)CC1 1722449767 YWFLUCCAVRJOMW-UHFFFAOYSA-N 440.523 1.452 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722453014 MZHAGNAGMOECGB-HNNXBMFYSA-N 427.534 1.384 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C)C1CC1 1722650435 APURDKUNZSPYLT-APWZRJJASA-N 427.571 1.173 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](COc2ccccc2)C1 1722692465 NBXZWGMMOCUBGS-QGZVFWFLSA-N 426.521 1.624 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1722702185 GTADNLGHQGHROB-ZHALLVOQSA-N 432.569 1.604 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722737066 RQNWWHGWSYVNLH-ZDUSSCGKSA-N 448.515 1.840 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722743216 UXWNYLNUFNAJKS-SFHVURJKSA-N 434.610 1.478 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)Nc1ccccc1 1722862715 DUCXFJLPCJBWBV-GJZGRUSLSA-N 433.538 1.513 30 10 IDEE CCCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1728121361 NLQYKHNBBIJLEP-JKSUJKDBSA-N 425.603 1.606 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1OCC[C@H]1C 1729070148 NPBVVYWWYJLPQQ-SOLBZPMBSA-N 426.525 1.616 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1Cc1ccc(C#N)o1 1730875607 MTYBVKQEIZDOEU-HUUCEWRRSA-N 429.481 1.071 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)C1 1731180406 BBIRDZQYEFSAIV-FRQCXROJSA-N 441.529 1.065 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1740547887 BVNDRJOVIAIHBK-XMTFNYHQSA-N 449.552 1.584 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1740581798 GEAFLKHUIYCOIP-UHFFFAOYSA-N 430.534 1.223 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N[C@H](C)CC)CC1 1740699030 SPHVQLHXZXWOKG-QGZVFWFLSA-N 426.569 1.200 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[C@H](O)C2)CC1 1740706831 FILJVFXBYKYHJK-RXVVDRJESA-N 436.560 1.781 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740709899 NTMLXWYVHJKPGM-MSOLQXFVSA-N 434.610 1.330 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1740716688 WUWVQJZXDKXENH-HNNXBMFYSA-N 430.534 1.477 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCNS(C)(=O)=O)CC1 1740820002 MZYFZRBSTPFISV-UHFFFAOYSA-N 439.563 1.054 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1740868089 DHJTXAGMHSEXQX-ZIAGYGMSSA-N 426.568 1.889 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1740917916 BLAQSJPWQJZWLL-LJQANCHMSA-N 438.532 1.671 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1740955038 KJZGHXUPLXLWMR-UHFFFAOYSA-N 442.520 1.369 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccnc(C)n2)CC1 1740956660 XDIQUJFJAVCXBQ-UHFFFAOYSA-N 436.495 1.811 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2ccc(F)cc2)C1 1740983096 AZSUQMMVIXZHFX-GOSISDBHSA-N 442.495 1.960 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)CC(C)(C)C1 1740991878 HLLCKWLIHSSZOA-CVEARBPZSA-N 444.623 1.653 30 10 IDEE CC(C)NC(=O)c1nnc(N2Cc3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741651260 JXHHWOIARRPNSU-ZZEZOPTASA-N 435.488 1.463 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1747706661 HREIVSMCBGGDPI-YLJYHZDGSA-N 431.518 1.187 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748815790 UBOXBXXEQJAKOZ-ZACQAIPSSA-N 433.578 1.682 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1748826039 KWLGTYNKVMGHSR-MJGOQNOKSA-N 434.610 1.472 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1748973080 XAACJVOFNAEMQV-UHFFFAOYSA-N 429.590 1.924 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1749159797 YSDSGFPYCUSVGU-ZWKOTPCHSA-N 447.609 1.985 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749220442 HPYJIWNPJJTQCG-MRXNPFEDSA-N 439.524 1.408 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1749276044 QPZPUCPBYKARJE-UHFFFAOYSA-N 446.899 1.783 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)C1 1749696173 ANHJNFCSUCFOOS-RZQQEMMASA-N 441.598 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1749722043 ZQVPSAISWHPXDK-UHFFFAOYSA-N 437.570 1.004 30 10 IDEE COCCOc1cc(C)ccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1750032140 IZLUOHZVLMSVJV-IBGZPJMESA-N 437.504 1.789 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1750066174 GUTWLRYSBIQEQY-CZUORRHYSA-N 429.435 1.941 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(C)C)N1CCOCC1 1760110767 GXMDWQNPZDHQMC-AEFFLSMTSA-N 428.537 1.821 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760136777 BSSLPTGMTCDPAW-QGZVFWFLSA-N 445.545 1.539 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760146873 YSYRYNFRNUGNJZ-GOSISDBHSA-N 426.521 1.773 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760187770 GIPNSNDEOHROET-ADKAHSJRSA-N 444.561 1.567 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(N(C)C)c2)CC1 1760257250 RUTSRZONNJCYIV-IBGZPJMESA-N 426.565 1.872 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)c2ccccc2)CC1 1760268461 KELDCXDDLPCNPW-UHFFFAOYSA-N 446.559 1.781 30 10 IDEE C#CCSCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1760286856 XFRRSXUYVGYIDL-LVCYWYKZSA-N 436.578 1.681 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760306593 GHAHWAUGWPQSAX-CQSZACIVSA-N 439.358 1.833 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@H]1CCCO1 1760352645 UNPUVFCHLHNZJX-YESZJQIVSA-N 427.571 1.629 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1760451837 VJMKEPWMYKMZKA-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Br)o1 1760514276 ABABKVIXNWWQCP-UHFFFAOYSA-N 439.314 1.710 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCO)Cc1ccccc1 1760521199 MGIZSAZYCJPJEN-UHFFFAOYSA-N 438.488 1.307 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)N(C)C 1761395639 DXVCIGCWKCOMKX-INIZCTEOSA-N 445.593 1.627 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCN1CCOC 1763496583 CNBVIJPTOTXXPC-HXUWFJFHSA-N 439.564 1.842 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1763950481 ZGLNHHNLMZSPBW-GOSISDBHSA-N 439.564 1.890 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCOC)CCOC1 1765913458 OGJOJABKKWRJRO-NRFANRHFSA-N 427.509 1.170 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1766682762 UEEFIQUAEMVNGK-JKSUJKDBSA-N 431.474 1.366 30 10 IDEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)cn1 1766939655 XPNGBLCLKJCUBV-SFHVURJKSA-N 447.503 1.658 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768810556 BHTAQMLKUXVQQQ-QBEKEKFNSA-N 437.504 1.263 30 10 IDEE CO[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1769677906 CRKLMINOWRDMQT-GOSISDBHSA-N 439.520 1.606 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CC2)nnc1N1CCN(CC(F)F)CC1 1770832408 AXDXGZLQEVTNBZ-VHEBQXMUSA-N 435.479 1.144 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 1858422587 WTKZOCMEBNKGEG-NRFANRHFSA-N 438.553 1.913 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1C)C2=O 1861530842 NRKJKPNRMKRXSC-UTKZUKDTSA-N 447.491 1.982 30 10 IDEE CC[C@@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868794373 BSOHZLPDNNKSFJ-LAUBAEHRSA-N 433.578 1.643 30 10 IDEE COc1ccc(OC)c(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)c1 1870101441 YKLQWBIJEYQVLI-UHFFFAOYSA-N 445.439 1.564 30 10 IDEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870557806 HAQOXTNGPUTZCN-UHFFFAOYSA-N 429.473 1.657 30 10 IDEE C=CCn1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(=O)cc1CN(CCO)CCO 1870745510 NNLMTTUXIMCDFY-UHFFFAOYSA-N 443.544 1.764 30 10 IDEE CN(CC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1)c1ncnc2c1cnn2C 1891618418 MIERZJSYZYZFNR-UHFFFAOYSA-N 425.518 1.772 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2009854306 PPXDVTHXOJNXCA-LHSJRXKWSA-N 439.509 1.874 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CCO)Cc2ccccc2)OC1(C)C 2243439753 UTAXDBXQFMSSLT-UHFFFAOYSA-N 438.380 1.767 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)NCCC#CBr)NC(=O)OCc1ccccc1 2244533148 RUHOTMHGZZDRGI-AWEZNQCLSA-N 447.307 1.120 30 10 IDEE CC(C)(C)OC(=O)N1CC2CC1(C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2248401579 KYTLLSDGFQGZOO-UHFFFAOYSA-N 436.343 1.597 30 10 IDEE C[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255533997 ASXCXVUDRXBTDI-PWSUYJOCSA-N 447.288 1.971 30 10 IDEE Cn1nc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255623109 JHPZWZAWMSAHOK-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255656340 ZJWIQWPVLLXLHF-CQSZACIVSA-N 436.362 1.998 30 10 IDEE CON(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2255672194 CFVXHARLGHDNGS-UHFFFAOYSA-N 439.322 1.033 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2266060505 CNGKCKATZYVVKV-JOCHJYFZSA-N 449.357 1.473 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267008613 GUGRFADAWNKXKG-DGCLKSJQSA-N 444.263 1.391 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(B2OC(C)(C)C(C)(C)O2)n1 2267130307 MSLGXAFCMGRZSP-AWEZNQCLSA-N 445.329 1.304 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)nc1B1OC(C)(C)C(C)(C)O1 2267184902 YGVBLHQAKJUDFT-OAHLLOKOSA-N 446.357 1.991 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1 2334270726 MOALDKGYZQUNST-HZSPNIEDSA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208052414 ZDUHMCNHHUFQLD-CQSZACIVSA-N 439.343 1.559 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)N2CCOCC2)cc1 257193465 RRCQZJMSPUXWFA-ICSRJNTNSA-N 442.497 1.023 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cnc1Cl 316202912 YALKOHDREHULAW-SNVBAGLBSA-N 427.729 1.309 30 10 IDEE N#CCCn1ccc(NC(=O)C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)n1 444512069 QOZPMKMMMRGMGX-GOSISDBHSA-N 440.891 2.363 30 10 IDEE CCO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C12CCC2 466055240 MRJJTSIMXYIEFK-RTBURBONSA-N 432.546 1.922 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 480939322 XFZMBBBSOJESOP-AWEZNQCLSA-N 447.582 1.434 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nn2)cc1 486516918 LAFUQOJNNBWVAM-OAQYLSRUSA-N 445.483 1.748 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)cc1 487202994 ROCPMGYSHUMEOM-IBGZPJMESA-N 426.440 1.933 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 487214020 DOJDNZSQSTUZBB-QGZVFWFLSA-N 447.521 1.043 30 10 IDEE N#Cc1ccc(OCCNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)cc1 506259633 NADWUJOQSOQINW-UHFFFAOYSA-N 428.923 1.930 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 508708187 ZZFCUERFXKZBGJ-IAGOWNOFSA-N 444.561 1.925 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 508996644 GRRXYGCNZVTBDY-GOSISDBHSA-N 431.468 1.419 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 511550707 ACPRRCGMAZSXCQ-YLJYHZDGSA-N 433.940 1.241 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 515313892 GSMXNJLUUODKEF-SJLPKXTDSA-N 449.581 1.305 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 524021449 AYRZVLGTBIVZKY-UHFFFAOYSA-N 437.485 1.677 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2nnc(C)s2)nc1C 526885499 KYEFFFHMTNLLPB-MUUNZHRXSA-N 443.532 1.280 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 540121936 DDFTXXTXLSZXRW-KBXCAEBGSA-N 431.518 1.176 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)CC2)n1 545506347 YQUYTEUSAJXYPE-UHFFFAOYSA-N 436.472 1.585 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 573963749 CVRLMQWCJKCMND-QGZVFWFLSA-N 433.534 1.365 30 10 IDEE COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC(F)F 582755169 IHODXFXZMXFSOM-UHFFFAOYSA-N 425.413 1.763 30 10 IDEE COc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N(C)C)cc1OC 585685936 WPZIXIJYMHQVCX-SFHVURJKSA-N 428.464 1.750 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N(CCOc4ccccc4)C3)cc2C1=O 607543459 ODZACQBQQLXYFV-QGZVFWFLSA-N 433.464 1.878 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1ccccc1Br 619436230 HOBSECQBYTWGNG-KBXCAEBGSA-N 449.305 1.746 30 10 IDEE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCN/C(O)=C1/N=CC=CC1=O 732152469 CDBXGNBUQHEVSE-VXPUYCOJSA-N 449.492 1.768 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(CC)c3)c2=O)c1 732565165 YYEQHUNUNVWDGJ-UHFFFAOYSA-N 428.517 1.969 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1N1CCCCC1=O 732706476 KSMVNBQQWIQQTC-QGZVFWFLSA-N 425.489 1.349 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 734292103 BVWZUWALATWUFO-QGZVFWFLSA-N 447.538 1.773 30 10 IDEE C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742655206 GZPGHXVLKZNAJI-QAPCUYQASA-N 442.541 1.319 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c1 753875093 WQFGDYMATXFESN-IBGZPJMESA-N 437.481 1.431 30 10 IDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758646531 YVHUDSKJLHZCLK-KHWCHDCRSA-N 435.502 1.910 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2cnn3ccccc23)c1=O 767879185 DMTUTSAFKASPRU-UHFFFAOYSA-N 436.537 1.856 30 10 IDEE Cc1cc(NC(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 777176667 DNYWWHQQQBHONL-QGZVFWFLSA-N 442.497 1.902 30 10 IDEE COc1ccc(CN2CCCN(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780207716 YUPOGYJCAJDMMT-QHCPKHFHSA-N 437.496 1.878 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 782980489 MOLZIHDYNWQZSY-CQSZACIVSA-N 441.435 1.694 30 10 IDEE O=C(C[C@@H]1SC(=Nc2ccccc2F)N(CCC2CS(=O)(=O)C2)C1=O)NC1CC1 786684044 UXGQTFSJGYXPFM-INIZCTEOSA-N 439.534 1.861 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)n1 790105470 KMJDJYZWXLADOE-UHFFFAOYSA-N 430.408 1.494 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCCF)C1=O 812220953 AXGBOCFFVHFBGE-GICLCMKGSA-N 430.527 1.020 30 10 IDEE C=CCn1cc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cn1 1084383186 ZJGOTSWRRCKKQE-UHFFFAOYSA-N 430.498 1.548 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C(=O)OC(C)(C)C 1136009265 KVYRSDGGFVKXFV-UHFFFAOYSA-N 445.545 1.271 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1143465751 WXFCXBBMTHOPPP-GOTSBHOMSA-N 429.561 1.869 30 10 IDEE C#C[C@H]1CCCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1143652102 IIBGJHCRYDIIEG-INIZCTEOSA-N 431.514 1.641 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 1160888201 NQJNOPCXJVTLOK-AWEZNQCLSA-N 434.543 1.594 30 10 IDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1168179342 DVIPXJJSEJBQNF-SJLPKXTDSA-N 425.489 1.526 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1286299264 UVLRMKVUUUSFRQ-JYJNAYRXSA-N 439.582 1.894 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286302068 JPMUZZQONBAKGU-CVEARBPZSA-N 442.486 1.512 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C)C1=O 1286418161 AHJOWZXXOUUQDV-LJQANCHMSA-N 429.322 1.977 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nc(C)cs2)CC1 1286492448 FUBAOOLZJKVBMD-KRWDZBQOSA-N 428.562 1.951 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1286496077 MUEKKPZAYYHXCQ-LZQZEXGQSA-N 439.607 1.262 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286503396 DVMHFPIQHQTGEJ-HXUWFJFHSA-N 425.606 1.923 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1286776139 FRVMPEYSUUAAOV-YJBOKZPZSA-N 433.534 1.585 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC(F)(F)F)C1 1286811598 CXSOLABURZZHMK-OAHLLOKOSA-N 441.458 1.600 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1286821810 VLLWLYLXVPVKJE-UHFFFAOYSA-N 447.561 1.147 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2CCS(=O)(=O)CC2)CCOC1 1286962107 VEMDUMBYKGTNFS-UZLBHIALSA-N 439.582 1.739 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccc(C#N)o1 1288161676 NOJSKYFXSAVHOT-UHFFFAOYSA-N 425.415 1.614 30 10 IDEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1288380310 JGJLVQQMZQEJFA-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C2CC2)C[C@H]1O 1299413990 UOWJPVHSXYDROL-QRVBRYPASA-N 425.489 1.602 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300268102 NENDVFUQHRWIGZ-INIZCTEOSA-N 441.536 1.227 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccccc2)CC1 1300529539 LNHWOJSNOKUSPI-UHFFFAOYSA-N 442.571 1.964 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C(C)=O)CC1 1300604538 LSYVHOYPYLPXIQ-UHFFFAOYSA-N 448.369 1.659 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1 1300699299 AXUOVCPLFSFZEY-UXHICEINSA-N 448.637 1.057 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)CCOC)CC1 1300703717 QMOIDCFDYUEOHD-QHCPKHFHSA-N 427.549 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(OC)C2CC2)CC1 1300710996 RHQGUFRNBUKVCD-JOCHJYFZSA-N 430.553 1.197 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300764505 XIFFOBBPCYJJNY-UHFFFAOYSA-N 434.610 1.406 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1302476717 AFJHKVXDZUDFKK-UHFFFAOYSA-N 442.501 1.452 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1303447149 CNGSHFVEANFPQX-MRXNPFEDSA-N 428.928 1.695 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1309052881 FSFHOJCBRFRFFW-LLVKDONJSA-N 436.353 1.271 30 10 IDEE C#CCN(C(=O)NCC[C@@H]1CCCS1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1313218257 GVDHAKFDIGHEDD-KRWDZBQOSA-N 427.567 1.998 30 10 IDEE CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H](C)CC#N)CC1 1313926698 FRDIXEVJWQKPOW-MUGJNUQGSA-N 433.601 1.766 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1 1314520202 APGZVRPRPBUBLQ-UHFFFAOYSA-N 427.534 1.974 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315094330 CUBCDMINKQHUCD-OSCRUYLVSA-N 436.472 1.471 30 10 IDEE COCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1315843820 HCHMXOJUXMZPAL-QGZVFWFLSA-N 445.545 1.894 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 1316227728 RFZVRIOIQWGPAA-FUHWJXTLSA-N 447.561 1.992 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358873658 MBCJQGLFSWTOSL-FDDCHVKYSA-N 440.548 1.668 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1358955998 YHDIBBQCTXKFAE-HOTGVXAUSA-N 433.534 1.328 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[S@](=O)C(C)(C)C 1359023217 DAZBMWVKWYFXRM-PMERELPUSA-N 435.550 1.639 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CCOC)CCC2)CC1 1359030786 FVGNBAIWPDWWAX-HSZRJFAPSA-N 431.581 1.892 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359055923 SHTZUJGJULOMJF-UWJYYQICSA-N 429.521 1.833 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1359062038 UMUKUOAHHZMTSF-HKUYNNGSSA-N 432.638 1.931 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359227099 SNYGFGINSOYUTE-ZWKOTPCHSA-N 429.525 1.616 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCN(C)C1 1359270072 ALOXKNXXOIZMNV-OAQYLSRUSA-N 445.593 1.483 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359299868 OSESHCUKNZLGNJ-MRXNPFEDSA-N 429.525 1.724 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC2(CCOCC2)C1 1359331624 DQEAUFCLKIOEJP-INIZCTEOSA-N 437.566 1.227 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 1444356436 MZFJFHRKKUWTCX-BUDOKORBSA-N 435.615 1.866 30 10 IDEE C=CCn1c(SCC(=O)N2CCN(CC(N)=O)C(=O)C2)nnc1-c1ccc(Cl)cc1 1451188760 BWKSXRJCQLIEDK-UHFFFAOYSA-N 448.936 1.033 30 10 IDEE COc1cc(CCCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc(OC)c1O 1454108982 UOAIJKBRCHUCNT-UHFFFAOYSA-N 432.498 1.945 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)C2)C1 1455497610 VRVLNFWNEKAZSA-ZZPBVIFJSA-N 440.566 1.171 30 10 IDEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccc(F)cc1 1459210112 JRGMDTAZSNBTDU-CYBMUJFWSA-N 430.436 1.240 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)O1 1460820117 MHMWLUSSHROUMS-ZGXWSNOMSA-N 448.589 1.352 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1464664543 CQZMTHICJJPQRA-CVEARBPZSA-N 428.961 1.963 30 10 IDEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1465301973 DLPZISBRTURJGB-UHFFFAOYSA-N 448.570 1.737 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1469375188 NXUKGALHNRJQGE-UHFFFAOYSA-N 441.509 1.877 30 10 IDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nc3ncc(Br)cn3n2)C1=O 1472908336 XIVANURWRDMMHN-KRWDZBQOSA-N 426.234 1.726 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1478686231 SYLRUKIEDYQALO-IBGZPJMESA-N 433.464 1.905 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1479310521 LKAJQLHXPIFRCW-UHFFFAOYSA-N 434.566 1.425 30 10 IDEE CCOC1CC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)(N2CCOCC2)C1 1502937432 CWNXGZZNVXOQAA-SFUYWUKASA-N 445.568 1.095 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@H](C)O1 1504722630 RHSZSXCTLPVCIP-PXNSSMCTSA-N 428.537 1.635 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1504812347 CESRYARQIOOWJK-PMACEKPBSA-N 437.548 1.500 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1CCS(=O)(=O)CC1 1504961114 OGBDRMNYNQJVRA-MRXNPFEDSA-N 439.582 1.957 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)(F)F)CCO1 1505321791 FESCCRKOSIWTLS-NSHDSACASA-N 444.364 1.554 30 10 IDEE C#CCN(c1nnc(CC)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507633586 HOBQMMYOSRYJBY-HNNXBMFYSA-N 435.516 1.742 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507633889 VKMANEHCRAQPMQ-ZWKOTPCHSA-N 430.530 1.466 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)CN(C2CC2)C1=O 1507677161 UZWAERDFMBMGKG-WCAVRKLYSA-N 425.533 1.476 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507929654 SEGYPOFZMIIQQD-UHFFFAOYSA-N 438.598 1.731 30 10 IDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(N)=O)C1 1507962864 YOZFNTKUNPMKAV-HNNXBMFYSA-N 447.565 1.143 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 1508088495 YHWTZUYSPPUFPZ-UHFFFAOYSA-N 426.521 1.238 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOC(F)(F)F 1510184440 ZAAFCMDOFNJYQC-LBPRGKRZSA-N 438.476 1.945 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCOCC2)cs1 1511547711 UZOAFUDHJLTOIN-KRWDZBQOSA-N 431.566 1.473 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C 1517125985 VKPZRMBCDBABLH-SFHVURJKSA-N 435.532 1.823 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1517445946 APGZRVMTJZKQBN-VFNWGFHPSA-N 430.509 1.650 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCO2)C[C@H]1O 1517689605 KRFZASLSFZACSB-JBYIUTFZSA-N 425.489 1.746 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1519048318 CGXMGGLOCYWQMO-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CC(=O)NCC(F)F)cc1 1521096144 YAKDCIHFXYDRAG-HXUWFJFHSA-N 432.431 1.194 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1539024517 VTTINBLKOWPDMY-AWEZNQCLSA-N 444.586 1.982 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1539117759 WNFLSJVMJDEBDS-WMLDXEAASA-N 430.534 1.487 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1539179212 NRZZKFIJIRMMRP-IBGZPJMESA-N 429.546 1.606 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539226216 VLXXUTAKYHZFCH-HXUWFJFHSA-N 436.541 1.528 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1539265004 BWKSSEKSCVZAAU-IBGZPJMESA-N 448.552 1.702 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1539368678 AXKUZUWXKYTGOI-KRWDZBQOSA-N 437.953 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](Cn2cccn2)C1 1540867685 DRGZUTSUUATOPW-MRXNPFEDSA-N 425.468 1.488 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Cl 1540871832 VACLMGXSNNNSMB-OAHLLOKOSA-N 437.953 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1540898394 JEWSZXOCFBQGMU-AWEZNQCLSA-N 426.564 1.788 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540915818 OIDYFMXNJVIGMI-ROUUACIJSA-N 445.593 1.867 30 10 IDEE CC(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541518973 FYIHYWKSNNILCZ-CQSZACIVSA-N 430.534 1.761 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1541803476 IPSXRGLNGAZLFV-GJZGRUSLSA-N 435.529 1.413 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC3(CC2)COC(=O)N3)n1CCN/C(O)=C1/N=CC=CC1=O 1545454537 WLYPMBMMSBDIOT-OHTQGHCMSA-N 443.508 1.397 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1555420417 DBNBHFYLCJYLKS-AUSIDOKSSA-N 438.532 1.805 30 10 IDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555486923 NYOAZRQSKRYPBE-UHFFFAOYSA-N 425.537 1.647 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC(N)=O)CC2)n1Cc1ccc(C#N)o1 1555743596 SHULUOJOCGHCTQ-KXBFYZLASA-N 428.493 1.607 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 1556524198 CETGSXGHVDLNEM-UHFFFAOYSA-N 445.239 1.990 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1557798252 AFKSXSPAKHBGQC-HOTGVXAUSA-N 427.542 1.979 30 10 IDEE COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN(C(=O)CC#N)CC2)cc1 1559847713 ZNIYDIYGZZAECZ-UHFFFAOYSA-N 435.484 1.944 30 10 IDEE C=CCn1cc(CNC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)nn1 1563680570 YDTCERJMOAGEGT-UHFFFAOYSA-N 427.509 1.124 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 1565463260 WPAFUXCEELQCPE-UHFFFAOYSA-N 445.520 1.809 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1587599532 PHCDFUDXURWGCT-JKSUJKDBSA-N 447.561 1.844 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1588482302 PYWZXDOVJYBFKT-WMZOPIPTSA-N 445.520 1.443 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2snnc2C)n1 1588722762 FBHFBZDSKOAEOF-UHFFFAOYSA-N 437.533 1.964 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCOC)CC1 1588836547 LEZMVHPQMVJYTA-HXUWFJFHSA-N 427.505 1.209 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CCC)C2)CC1 1588884761 MXCSQYFYRCGXEE-SFHVURJKSA-N 443.596 1.114 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccn2)CC1 1594241126 GPYDCSLUMUMKCI-IBGZPJMESA-N 446.577 1.651 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1594720206 FSGSTQDSJLCKMT-LJQANCHMSA-N 426.569 1.993 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595517512 ZUQQOEUFEFNLTO-PZJWPPBQSA-N 449.559 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC1 1595788628 DZECACVXDMBBSX-UHFFFAOYSA-N 442.545 1.876 30 10 IDEE C#CCN(CC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 1596562099 YPAUUZGFACOKGT-UHFFFAOYSA-N 446.523 1.851 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1596783531 SCOAPALTNNPBLM-KRWDZBQOSA-N 426.525 1.634 30 10 IDEE CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCOCC1 1611806535 CLXIRKHUFIWWEV-UHFFFAOYSA-N 445.545 1.780 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)c1 1615425947 GUXJSPGTZQAUNN-UHFFFAOYSA-N 449.550 1.834 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1616929074 GHDVGTOGMDDHCL-HXUWFJFHSA-N 445.585 1.931 30 10 IDEE C#CCOc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1 1623247081 NLBCWNRXKUFAEA-UHFFFAOYSA-N 449.467 1.513 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nn(C)cc1Br 1624485780 YMNGJOFAYUUYGM-SNVBAGLBSA-N 426.296 1.037 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N[C@H]3CCN(O)C3=O)c2C(F)F)C1 1624906126 AYXPBNMSAWJGSD-UWVGGRQHSA-N 430.412 1.118 30 10 IDEE CCc1ccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 1625441053 IGQYTMDMUIWFDD-GOSISDBHSA-N 435.527 1.312 30 10 IDEE CO[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)N(C(=O)OCc2ccccc2)C1 1628386625 XTXXGTRPNUMXOK-JROKQLJMSA-N 442.472 1.055 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](CN3CCOCC3)C2)C1 1628942307 XKVDGAVJYVTEKB-HNNXBMFYSA-N 433.350 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCN1CCN(c2ncccn2)CC1 1633465707 IUIAXKBONKHJLT-KRWDZBQOSA-N 431.541 1.302 30 10 IDEE C=CCC(C)(C)CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1635621985 IUFBOKVQPXQJKT-UHFFFAOYSA-N 444.598 1.865 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1636816133 AHTAPQGVIZUDSO-CVEARBPZSA-N 426.539 1.441 30 10 IDEE C[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC(c2cccc(Cl)c2F)=NO1 1637513284 MDIIXFNVLJLVFW-IBGZPJMESA-N 431.811 1.580 30 10 IDEE Cn1c(N2CCC([C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)c(C#N)c(=O)n(C)c1=O 1639912142 FLFRRRSQEFHCKK-MRXNPFEDSA-N 431.537 1.818 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@](O)(C(F)F)C3)nnc12 1641578904 VBVMONZMNPFTKW-LJQANCHMSA-N 435.456 1.551 30 10 IDEE Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)Cn1cc(C#N)c(O)nc1=O 1641620218 ABSYAUFZMRVCBB-UHFFFAOYSA-N 429.234 1.622 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c1=O 1643554187 CNNZBYRWPVRXOE-UHFFFAOYSA-N 438.459 1.973 30 10 IDEE CCN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)[C@@H](C)C#N 1643951788 DUOAMMBKJPEJHZ-OLWAXZHHSA-N 446.554 1.967 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](Cc3cccc(OC)c3)C2)c1 1648114161 JIZOEJBCTBIDCN-IBGZPJMESA-N 427.526 1.263 30 10 IDEE Cn1ncc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1Br 1661361868 BGVOESMQWQUVFM-CYBMUJFWSA-N 438.307 1.528 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OCC 1663905763 UAKZJVDAJWZLMA-GFCCVEGCSA-N 437.287 1.863 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)CC1 1684623878 VJOOSVYXDMNZTA-QFIPXVFZSA-N 430.574 1.750 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1689942851 FAALKDNLHKYFHK-OAQYLSRUSA-N 436.560 1.965 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689986298 MVXNCJROQHPLPL-UTKZUKDTSA-N 430.530 1.032 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1nc(C)no1 1690017592 HLXHPXKKYJELML-UHFFFAOYSA-N 445.531 1.849 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)[C@@H](C)CC)CC1 1690143957 HOYDBFFIOMCFLK-SZMVWBNQSA-N 430.553 1.256 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1690464919 NFTVDNLATPOTBN-CVEARBPZSA-N 436.538 1.806 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1690607490 NXGYNMIZGTVFGR-SFHVURJKSA-N 429.521 1.859 30 10 IDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690642572 WNELDFYXLQKQSI-MRXNPFEDSA-N 435.554 1.259 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1690733731 LVKVUZNSXCNWBT-LZQZEXGQSA-N 441.623 1.814 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1NC(=O)CC1(C)C 1691871042 MXJRKUNHZCDJHF-NVXWUHKLSA-N 437.552 1.693 30 10 IDEE CCCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695434672 HADWIPQZZINPMI-OAHLLOKOSA-N 427.557 1.558 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1698023848 CLLBRRCXPRGTFI-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCS(C)(=O)=O 1705481037 YRMUQPJFKZQISB-GFCCVEGCSA-N 444.355 1.555 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1705567136 UXDVCTTZORCRSF-QGZVFWFLSA-N 440.529 1.742 30 10 IDEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1705665284 PTBHLRCTHNUEMX-DUXKGJEZSA-N 436.578 1.681 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705666974 ZKVNZQHSMFAZQR-QFIPXVFZSA-N 441.557 1.949 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705729368 VEUMKOUPGRSNDD-JOCHJYFZSA-N 432.569 1.408 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705819938 XJSCABVCALJFPJ-HOTGVXAUSA-N 430.596 1.550 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1705834187 FZXRJQWAAURACT-QGZVFWFLSA-N 440.614 1.546 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705898318 HVRCMOZJZQZKGO-OAQYLSRUSA-N 445.545 1.271 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1705935314 NCYVDRFZNQDRCG-OAQYLSRUSA-N 447.561 1.180 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1705947006 XMJGFFLJEZIAOO-MRXNPFEDSA-N 441.623 1.547 30 10 IDEE CC(C)(C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706118167 JKCCLKOWQUNDFJ-XPNMMBGKSA-N 443.508 1.133 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1709783123 IKNSLAQAMGPWMN-SJLPKXTDSA-N 437.614 1.893 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CN1CCOCC1 1710697923 LUNYVNSDUMCCRD-MRXNPFEDSA-N 441.536 1.318 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCOC2)CC1=O 1712468441 DDBLSDBEUPTDGI-MOPGFXCFSA-N 438.532 1.784 30 10 IDEE CSC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1712753620 FIIPVUPXLIQVMB-HNNXBMFYSA-N 433.559 1.973 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cc(CO)nn1 1722403252 OBPKXIDCBSDPRE-UHFFFAOYSA-N 436.520 1.781 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1722473253 BGZSHDYERUBKFO-XQBPLPMBSA-N 449.621 1.409 30 10 IDEE C=C(Br)Cn1c(N2CCN(CCOC)CC2)nnc1[C@@]1(OCC)CCOC1 1722488078 ATQCFFKQJVMWHW-GOSISDBHSA-N 444.374 1.607 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722497857 FXSAXSXMYZESGT-RTWAWAEBSA-N 448.520 1.538 30 10 IDEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1722654173 RJUYDNFJWJBDBU-LZJOCLMNSA-N 438.594 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1722696793 BDGMUNINZGKOGD-GOSISDBHSA-N 443.458 1.837 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CCC)C1 1722697479 LLMPLWMNRVYNRR-HNNXBMFYSA-N 437.504 1.901 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(N)=O)CC2)cc1 1722701900 AFKWQIAYPRFHJS-UHFFFAOYSA-N 438.532 1.829 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1724003256 KORLCHXNXCIQLR-NXOAAHMSSA-N 431.468 1.826 30 10 IDEE CC[C@@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1726798686 FNQJGMTUWDTLBA-VGOFRKELSA-N 443.552 1.756 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(Br)n2)cn1 1729570939 OQVQCCPQGPXZDF-CQSZACIVSA-N 429.282 1.613 30 10 IDEE COC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1730592039 IJQFWSWNWYIFHC-QDASYUEBSA-N 432.525 1.342 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1730824345 MXWBDNSWYJBHIY-WSQOEDGESA-N 432.525 1.621 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740620643 GCBCHGQPTQUMLW-QZTJIDSGSA-N 428.562 1.451 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCOC)CC1 1740698788 WBXTXENFQWABQS-UHFFFAOYSA-N 445.589 1.921 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740744935 IIRFFBWONQYYJA-STQMWFEESA-N 439.314 1.163 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740786852 QOUQJILBTHGJBP-SFHVURJKSA-N 434.585 1.699 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)=O)CC1 1740793831 YLTATFKJXRYDBH-UHFFFAOYSA-N 430.509 1.657 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCCC)CC1 1740802265 JYRCPLSHWHGZQL-CQSZACIVSA-N 447.005 1.774 30 10 IDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740863536 AJYJVUYPXGJHOP-GOSISDBHSA-N 430.553 1.409 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCCCC2)C1 1740973172 RZAQTXRNVMKHCG-ZWKOTPCHSA-N 440.614 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740994673 RXGKPTNZHOOTHU-INIZCTEOSA-N 425.555 1.546 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1741132134 WZZOMJLEYXKYAV-QLFBSQMISA-N 443.474 1.478 30 10 IDEE Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742793253 DNTBRBSYQMFMKC-BQASMSSTSA-N 445.524 1.464 30 10 IDEE CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1745921615 FOEOYNZYKALPNK-VXPUYCOJSA-N 426.477 1.848 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1746729591 XXXPYCHZIAXUMV-AVRDEDQJSA-N 432.569 1.922 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1747596573 KANVZCITPMSLBZ-VQTJNVASSA-N 437.548 1.452 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1748757777 KRLVHODRVSSOED-VWLOTQADSA-N 449.603 1.758 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1748806145 ZTAIBZRZZGQNPY-HZPDHXFCSA-N 449.602 1.910 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1748858039 KMVSYGMETTXRRG-GOSISDBHSA-N 447.536 1.058 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1748863722 FHYAIPNCCIAFMD-SFHVURJKSA-N 434.610 1.473 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@@H](F)C2)CC1 1749015174 ACVDBHKYPCHSAK-SJLPKXTDSA-N 430.528 1.505 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749433947 BGDHDMHQYRUEFY-QFIPXVFZSA-N 440.552 1.920 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1749458264 XPAPLROFKVWAPA-ZACQAIPSSA-N 439.582 1.438 30 10 IDEE COCc1nocc1Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1749463497 QXRXCKSRWMOHOU-OAHLLOKOSA-N 428.424 1.908 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1749557910 ODXOJDWTOSIBKY-GBESFXJTSA-N 443.596 1.595 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1749629929 KXUFZTGLVXJKKG-FUHWJXTLSA-N 435.594 1.841 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1749669400 KEASLHKLFFAHPR-JKSUJKDBSA-N 434.541 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(=O)NC 1749730848 SQUXKPCSXBGAFO-UHFFFAOYSA-N 444.561 1.610 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@H]1c1ccccc1 1751230920 FKTAOZFNHWZRTB-DKIMLUQUSA-N 430.534 1.421 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1760177183 DPWAVUWNVHMIOO-UHFFFAOYSA-N 435.532 1.724 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760181941 FLWLVTKXFSSAMZ-QZTJIDSGSA-N 437.610 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OC)nc1 1760200733 SMYYQRNJJYLTFI-UHFFFAOYSA-N 449.540 1.763 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCCC2=O)c1 1760206927 RAKISCHZXWKCEG-UHFFFAOYSA-N 430.512 1.648 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCOCC2)CC1 1760264536 RWHZRNUNGVDGFJ-UHFFFAOYSA-N 442.539 1.474 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCS(C)(=O)=O)CC1 1760270724 XPZOOMZTTCEHMU-UHFFFAOYSA-N 443.573 1.188 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760313831 RAYBBWVPOKGRIO-LMMKCTJWSA-N 432.569 1.893 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)CC1 1760402751 TVWZAFBJZCNFCT-KRWDZBQOSA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1760520490 PGUNFYJBMRKUMP-UHFFFAOYSA-N 427.509 1.107 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760546332 NAOSWIILTFFOER-RTBURBONSA-N 446.577 1.469 30 10 IDEE CC(C)CN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1761103971 LWZZQIXPPDNABZ-HTXNQAPBSA-N 431.541 1.814 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1761362149 ANLKIKIHHHJBIL-NVXWUHKLSA-N 432.550 1.801 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766854192 MCKOORSWMJINLR-UHFFFAOYSA-N 434.504 1.687 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1767828670 XFEDMFLOXXEEOT-UHFFFAOYSA-N 438.536 1.440 30 10 IDEE COCCN(C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1769780156 LFONMSPQOADXMG-MRXNPFEDSA-N 434.491 1.844 30 10 IDEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1COCCO1 1770754841 MYXPIPVRUWTJIJ-QGZVFWFLSA-N 425.493 1.861 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCOCC1 1771100059 FPPMWFVLXIQADM-UHFFFAOYSA-N 449.515 1.657 30 10 IDEE CN1CCN(C(=O)CN(C)C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CC1 1851853866 FEBPXALJKAAJAS-UHFFFAOYSA-N 434.422 1.609 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3C(=O)NC[C@@H]3C3CCCCC3)CC2)nc1 1852496714 DNZUZZSJAUUJEV-CTNGQTDRSA-N 425.533 1.561 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3OCCc4ccccc43)C(=O)C2)cc1 1854038771 UQJXHJRJACRSDE-FQEVSTJZSA-N 425.466 1.232 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)C(=O)C23CCCCC3)cc1 1856300100 ZCZMKHFQYWIDMZ-SFHVURJKSA-N 431.514 1.800 30 10 IDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCCN(C4CCSCC4)CC3)CC2=O)ccn1 1857269882 HVUAHESGXWBWPH-QGZVFWFLSA-N 427.574 1.845 30 10 IDEE COc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870149120 LKPGIYXQRCVFIE-UHFFFAOYSA-N 447.499 1.917 30 10 IDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870385174 LKWHCFOEHDIFBP-CALCHBBNSA-N 447.557 1.718 30 10 IDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870542537 WASSPTGUWNKPCK-LJQANCHMSA-N 447.532 1.047 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1cc(OC)cc(OC)c1 1871034051 BHJZKNRGVRKEJC-UHFFFAOYSA-N 443.500 1.901 30 10 IDEE C=CCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871477647 LCGQYKPUZOCJKR-UHFFFAOYSA-N 446.519 1.710 30 10 IDEE COc1ccc2c(c1)c(/C=N/n1c(S)nnc(CCC(=O)O)c1=O)c(C(=O)O)n2C 1873498255 YPPYRITZTLRKMB-UFWORHAWSA-N 431.430 1.025 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1OCC 1874432655 QNGNJBAPMIWLEY-FOKLQQMPSA-N 448.549 1.822 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(NC(C)=O)cc3)CC2)CC1 1890354236 HEEOZNZGZUARMX-UHFFFAOYSA-N 440.588 1.836 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2010031165 BHSYZCRHDIHIMJ-SZNDQCEHSA-N 439.509 1.874 30 10 IDEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124542533 GODWJRIGDQUKNZ-QCKZDCLWSA-N 448.329 1.787 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2211762965 KIOIVUMRRVCZNS-LLVKDONJSA-N 432.262 1.521 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2247824210 VNGFZUVRWQADNB-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903693 IQSQTOVAKBFUIK-HUUCEWRRSA-N 446.375 1.633 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255818508 LWVGOSDUHHFCOA-OAQYLSRUSA-N 436.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H](O)C1 2255848071 WCHPSSIYLMOEFP-KBPBESRZSA-N 436.314 1.536 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2256673675 FMWWBOMHVGTFEB-OAQYLSRUSA-N 433.314 1.691 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2267267812 ZMGDFWFFCWELOY-SJORKVTESA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2267567919 NRLOTPINSVBUEU-QKPAOTATSA-N 449.357 1.805 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267594816 AHQRTYMLIYYXGZ-KBPBESRZSA-N 449.361 1.490 30 10 IDEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccco1 2297741721 QDUWJOOCJWSDCB-GOSISDBHSA-N 427.413 1.942 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)c(C)n1 102741236 KTFXULDRYYJNEC-LCPUNJGISA-N 437.500 1.632 30 10 IDEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccncc2)cc1 170359023 SMUAADFGQTZDHI-SFHVURJKSA-N 436.449 1.907 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 427686127 PSACAMVHCVWKFQ-NXEZZACHSA-N 428.367 1.088 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)C1=O 432220984 KUEDWCLVYXYXBQ-QGZVFWFLSA-N 429.564 1.028 30 10 IDEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 437665612 AKBCYOJJQKCTNH-INIZCTEOSA-N 427.530 1.656 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n(C)n1 470199966 IKDZRYPQWNDRRD-NVXWUHKLSA-N 430.534 1.052 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 485928138 AXAYAIOEUIOWKH-INIZCTEOSA-N 447.919 1.687 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 499185926 YHGSIKPSNQQQGV-PZJWPPBQSA-N 449.983 1.341 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508479511 ANYJZBSBSDVLMC-UHFFFAOYSA-N 441.492 1.020 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3(C#N)CCCC3)CC2)c1 515175552 BJDOEJKEFMOTAY-UHFFFAOYSA-N 446.573 1.869 30 10 IDEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccccc2OCC2CC2)c1=O 516838576 NGFAOFRJXWSJDY-UHFFFAOYSA-N 438.549 1.589 30 10 IDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 533598136 OGXRRUDCXXCJAI-OAHLLOKOSA-N 435.506 1.052 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C2(c4cccc(C#N)c4)CC2)CC3)CC1 555518973 AVRIQHPBWILPHD-IBGZPJMESA-N 446.555 1.553 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 575419846 QMIIIFQBACDZOP-UHFFFAOYSA-N 442.566 1.504 30 10 IDEE CC1(C2CC2)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 579059139 GXZZGMTVJOPFGV-UHFFFAOYSA-N 430.574 1.903 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COc2ccccc2)C1 579096363 LKWGWDDLMUNSBV-SJLPKXTDSA-N 435.550 1.749 30 10 IDEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589440848 HKDOIRDNSOASCJ-GOSISDBHSA-N 426.542 1.960 30 10 IDEE CCc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3)c2=O)cc1 603790703 CJYZQQXABXEGCL-UHFFFAOYSA-N 445.544 1.823 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CCN(c4cc(C#N)ccn4)CC3)CC2)nc(C(C)C)n1 603849170 PMQVXQOLRQCPHV-UHFFFAOYSA-N 448.575 1.646 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cnn(CC)c1 729672631 YXDJBSIQDOIOIQ-OAHLLOKOSA-N 446.536 1.881 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 730252624 NUWDAMFRZRBQNF-UHFFFAOYSA-N 443.481 1.345 30 10 IDEE N#CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 731628363 NOPQHTMOKKSWDE-UHOSZYNNSA-N 433.530 1.315 30 10 IDEE N#C[C@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCN1C1CC1 732649617 LVDDFUKUNBTRRR-AWEZNQCLSA-N 431.290 1.634 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 733886021 CWBRKHXXNUSKHM-FMQUCBEESA-N 434.518 1.250 30 10 IDEE CN(C)CC1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 739084392 DXUZZBVOBSCQBB-JOCHJYFZSA-N 438.576 1.602 30 10 IDEE C[C@@H](c1ccccc1)N1CCN(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 741341487 QOGWGNTXMKMPOO-ANZZGNCFSA-N 440.500 1.352 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741439182 RVRISNFPBWDSMY-GOSISDBHSA-N 441.509 1.989 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CNC(=O)OC(C)(C)C)CC3)CC2)o1 748804163 CJJKBDSLGHLIKV-UHFFFAOYSA-N 446.552 1.740 30 10 IDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC[C@H]2CCOC2)c1 756021606 CBIYIRMSXREZJG-BZROSYFNSA-N 428.489 1.736 30 10 IDEE CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c1=O 760409150 MGURPWRJQDNAKR-UHFFFAOYSA-N 432.502 1.103 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 763785192 SVDSJHIIPHUWDV-SJLPKXTDSA-N 433.486 1.436 30 10 IDEE O[C@H](C[C@H]1COCCN1CC#CCN1CCOC[C@H]1C[C@@H](O)c1ccco1)c1ccco1 792872797 PORPAFRCSSOYKI-CIAFKFPVSA-N 444.528 1.825 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 797583307 SLIAPROQDHEAPO-JOCHJYFZSA-N 443.477 1.765 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1 805229949 GSGCSYRSNICJJQ-OAHLLOKOSA-N 438.436 1.713 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 812180062 SNAYHMHVANYXKH-IRXDYDNUSA-N 446.552 1.974 30 10 IDEE COCc1nc(Cl)cc(NN=C(C)c2ccc(S(=O)(=O)N3CCNCC3)cc2)n1 814975506 JGBLMKNPMXUDAF-UHFFFAOYSA-N 438.941 1.706 30 10 IDEE Cc1c(NC(=O)CSCC(=O)N[C@@](C)(C#N)CN(C)C)c(=O)n(-c2ccccc2)n1C 1128797428 WPRNBZIHUWBPCE-NRFANRHFSA-N 444.561 1.116 30 10 IDEE Cc1nsc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)CC2)c1C#N 1129488616 VJCBRHXTJWPHMO-UHFFFAOYSA-N 440.451 1.960 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1131112980 AFGWGYICDJINOL-BGYRXZFFSA-N 432.480 1.852 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)s1 1135645923 QWWYKRBAVDAMPJ-GFCCVEGCSA-N 443.572 1.280 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OCC 1151574565 USBSNBIROSFBOP-OAHLLOKOSA-N 431.898 1.114 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccno2)CC1 1153001739 NZQODAWWMLUDIN-GOSISDBHSA-N 445.545 1.472 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@](O)(C(=O)OC)C1 1153268773 DGWQWUOLILVSTF-QGZVFWFLSA-N 427.251 1.235 30 10 IDEE N#CC1(C[C@H](O)CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCOCC1 1167252033 QQNXMIHTGCLPOY-VXKWHMMOSA-N 427.593 1.987 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCC[C@@H]1C#N 1175251362 XDMICNYPYGHKNM-CRAIPNDOSA-N 435.506 1.052 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cc1 1189411456 HDDIAVXQILMUTF-GOSISDBHSA-N 447.557 1.900 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1286296071 MHUPKOQUAFRMLW-FUHWJXTLSA-N 449.581 1.054 30 10 IDEE C#CCCCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1286360106 PKZDPNLHHGVPKA-JOCHJYFZSA-N 428.537 1.962 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCCC2)CCOCC1 1286377819 HSHQGAVHLMVGLB-UHFFFAOYSA-N 442.589 1.984 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1286385787 PHGGQXXZWMPSHV-BBTUJRGHSA-N 436.578 1.756 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(F)c1 1286408291 BNPAYOKIXUGYGA-QGZVFWFLSA-N 430.505 1.643 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)F 1286418910 SSDBDCKGTXRGFL-UHFFFAOYSA-N 439.264 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2n[nH]c(C)n2)CC1 1286493210 MAYDXZDLBBSJRH-KRWDZBQOSA-N 426.525 1.155 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286632258 HIYWYMFSZYVTGW-UHFFFAOYSA-N 426.912 1.746 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286638225 XIIPJSFUDJGITK-BZSNNMDCSA-N 440.614 1.544 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1286786329 BQJPZFMMVJMRSN-QFIPXVFZSA-N 434.504 1.135 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286819957 AUACHQWZKJHAMN-ZACQAIPSSA-N 437.566 1.020 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286828903 AHRUGPRGSWYYTB-AWEZNQCLSA-N 432.550 1.982 30 10 IDEE CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1292221388 AOAPWIMDDXULTB-CJNGLKHVSA-N 446.533 1.140 30 10 IDEE CCN(CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1295523230 QTXNQOYNAYKWCG-UHFFFAOYSA-N 440.552 1.683 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOC4(CCOCC4)CC3)C2=O)cc1 1296765803 UAPLNOIEZPWYAY-SFHVURJKSA-N 426.473 1.561 30 10 IDEE C#CCCCn1c(N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)nnc1C(C)(C)C 1300425769 XBXCAHWTUSZCNL-KRWDZBQOSA-N 425.599 1.866 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCN(CC)CC1 1300813224 DTVADGMBVIICRT-HYBUGGRVSA-N 441.624 1.666 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)c1cc(F)c(F)c(F)c1 1301412105 MJJQMLWKGOKHNG-HNNXBMFYSA-N 441.431 1.772 30 10 IDEE CC(C)[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1302762557 SZLJTJJYOCTSKD-MAUKXSAKSA-N 448.549 1.606 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C[C@@H]1O 1302839263 OURDZCRMKXMPGH-BEFAXECRSA-N 429.546 1.849 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1302969847 HWYWJSLYNNASDE-RCCFBDPRSA-N 436.582 1.410 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1304902438 AZYVAQCKAZPVOX-FOGNVHKLSA-N 426.546 1.785 30 10 IDEE CCc1nnc(N2CCN(Cc3cccs3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306205933 SXRALGFOKSFCFD-FMQUCBEESA-N 441.561 1.751 30 10 IDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCCCN2CCCCCC2=O)C1=O 1307295877 QJHVTMCBPGOVIM-QFIPXVFZSA-N 425.489 1.234 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F 1309080262 XRNRKARYKJWEFM-NSHDSACASA-N 437.898 1.467 30 10 IDEE Cn1nc2c(c1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)CS(=O)(=O)CC2 1358034971 IQAFALYNPVQQPT-AWEZNQCLSA-N 428.392 1.784 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1358958993 ZPRZVGIQWRPPLO-UZLBHIALSA-N 436.534 1.261 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358967963 WKTJNTHBLGHYAJ-OAHLLOKOSA-N 438.579 1.234 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1359070568 PHQIFMLAIRZGRF-WAOWUJCRSA-N 436.578 1.758 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359202593 XPQFKYPURMKFNC-RDJZCZTQSA-N 429.525 1.352 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1359227884 OLRFOKSKOGEJCR-OAHLLOKOSA-N 427.571 1.124 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1359301731 JJTQHOSFYPABET-UHFFFAOYSA-N 426.521 1.848 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359455803 BSWRLIOUQNFJCY-HXUWFJFHSA-N 435.532 1.934 30 10 IDEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1436520518 GRIGNNGBTXTPHH-UHFFFAOYSA-N 441.469 1.919 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 1440763662 XDYMXBXYEBHRHR-UHFFFAOYSA-N 447.542 1.332 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1453986781 ZDEOFVBLLUAGIT-UHFFFAOYSA-N 427.526 1.751 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c(OC)c1OC 1457314661 BKCFHHCXNBDBFC-UHFFFAOYSA-N 431.489 1.707 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CNC(C)(C)c3cccc(C#N)c3)C2=O)cc1 1460406591 HORNJNQEUJPUBU-HSZRJFAPSA-N 435.484 1.890 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1461626781 BMOCUYDVMHQQQJ-WBVHZDCISA-N 436.486 1.331 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 1468404589 SODVHNCNVZVGGO-OAHLLOKOSA-N 448.524 1.176 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1478982205 ZLKNXDDSSPKEDK-UHFFFAOYSA-N 444.536 1.859 30 10 IDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493231827 GKQSYADXINJIJY-NSBOWFCGSA-N 427.509 1.238 30 10 IDEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1494517451 DHOLRBBIICPNDN-UWJYYQICSA-N 433.532 1.457 30 10 IDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1503171163 CILWXZOEXLJLGX-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1503616351 LVDQUHHKPOKDLE-VQTJNVASSA-N 437.504 1.602 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1505144381 ODJAFPVKKQSVEU-DFNIBXOVSA-N 444.561 1.353 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507622630 JXYNSVRDLBLLMG-IKGGRYGDSA-N 439.582 1.104 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(OC)CCOC1 1507670157 YOBNKBRSPGVHAK-XMMPIXPASA-N 449.559 1.721 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1507670976 FLOLLSGMQUCQMF-KRWDZBQOSA-N 447.417 1.932 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCN(CC)CC2)CC1 1507739488 IJDYAPKSAPFNPS-UHFFFAOYSA-N 441.624 1.224 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)CCO1 1508375620 KZQBLAFXQOAWTO-FQEVSTJZSA-N 426.521 1.973 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1509648239 IYTFEXOUIUDZSU-CZIZESTLSA-N 435.488 1.637 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c1 1515986579 AXMREADKWKXQQF-GJZGRUSLSA-N 447.565 1.425 30 10 IDEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1516705399 SOOONMNKGGMRIS-SFHVURJKSA-N 439.520 1.711 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1519162309 DGBGMUVDPPUOIT-BZSNNMDCSA-N 447.584 1.483 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539210862 HEPHLUGFQYWUDR-IBGZPJMESA-N 436.541 1.913 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539222192 UHOBVDZWZYWMMG-MERNETFKSA-N 439.541 1.569 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539226517 ZPBRAEYOCVRHHS-RBUKOAKNSA-N 431.562 1.562 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539230492 HZVOMAMYQOMPRX-WOJBJXKFSA-N 444.557 1.973 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(COC)CCOCC2)CC1 1539428441 RLKJLUGRUDJDSY-UHFFFAOYSA-N 446.596 1.395 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1539670311 ZZTLJBOJUFZARD-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1540073391 PSWSOJIKYANZKY-AWEZNQCLSA-N 426.568 1.300 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)CC1 1540549915 BUJZWFZWGYFXMM-QGZVFWFLSA-N 442.476 1.143 30 10 IDEE CCCS(=O)(=O)NC1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1540750626 URJMEKOEFPQIJY-UHFFFAOYSA-N 441.594 1.957 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1540872546 SDZDPCALTRWMDA-UHFFFAOYSA-N 445.589 1.883 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542756294 ADXQRUTUJYINJD-NFFVOIMASA-N 436.516 1.929 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccc(F)cc2)n1 1543066469 DQOZSZYECWHTRM-KNQAVFIVSA-N 439.495 1.915 30 10 IDEE COCCC(=O)N1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1545688597 FBLTZXYZJQFDRZ-BNGSBABLSA-N 448.564 1.917 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1546769491 GTDKFKYNMHMZQM-MSOLQXFVSA-N 445.545 1.779 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1555557965 IEJJZBRRURMFSQ-HNNXBMFYSA-N 448.549 1.462 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1CCC(O)CC1 1569181684 IPXIQKXCCRAIEK-FQEVSTJZSA-N 428.533 1.965 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)C(=O)OC 1570218511 FKRLRWSGMJYPJS-HXUWFJFHSA-N 442.493 1.662 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1587651110 IXFFHZSJMYFRLB-MRXNPFEDSA-N 434.591 1.100 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC1 1588811213 CPOISMLOLWXCRR-QGZVFWFLSA-N 428.503 1.812 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595405765 XBEUYNBVFLUZOA-VFNWGFHPSA-N 432.525 1.631 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(Cl)ccc2C1 1595551820 WBQIBKJMRXPBTJ-MRXNPFEDSA-N 449.964 1.699 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)CC1 1596183357 HBBQHNSWZGOXLK-UHFFFAOYSA-N 433.472 1.508 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 1596453432 FDVGVEPKWTWEHU-IBGZPJMESA-N 442.493 1.940 30 10 IDEE C[C@]1(C#N)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCO1 1598178454 LWFFATSJQPHNAA-KSSFIOAISA-N 427.910 1.552 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)OCC)(C(F)(F)F)CC2)c1 1598353075 PVJJEINTJPSMIQ-UHFFFAOYSA-N 446.447 1.946 30 10 IDEE CC(C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1609855301 IHMSNZDWVMYTIC-UHFFFAOYSA-N 446.515 1.714 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1619878107 APCDNPHWLZKNNL-LEWJYISDSA-N 440.548 1.779 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CCN1S(C)(=O)=O 1620313780 FIBMBGRBNZXSMU-INIZCTEOSA-N 444.561 1.592 30 10 IDEE COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1ccc(Br)c(C#N)c1 1621977712 AFIVJBOZXURLAJ-AWEZNQCLSA-N 446.323 1.303 30 10 IDEE Cc1ccc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1631570471 BXUACMDPCPQHMT-UHFFFAOYSA-N 436.383 1.790 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1633898319 ZLTFIAIIYQSYLP-LJQANCHMSA-N 440.456 1.920 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(I)n1 1634589271 YCJKCRUQFHSBAX-CQSZACIVSA-N 449.252 1.427 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1 1637033226 MENNCPPNCMLMNZ-UHFFFAOYSA-N 430.567 1.636 30 10 IDEE C#CCN(CC(=O)N1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1)C(=O)OC(C)(C)C 1640037117 AZLFFVCAHIBZJB-SJORKVTESA-N 425.489 1.976 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1643888683 OJAPTDSBTIFHEM-OXJNMPFZSA-N 437.525 1.834 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1649569063 VBXLMDSEBXSBPM-SJTPKYKMSA-N 443.552 1.958 30 10 IDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1Cc2cccc(C#N)c2C1 1654086705 KSZODOWGZGSNAA-INIZCTEOSA-N 440.525 1.922 30 10 IDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccncc1 1654407198 BXMZARWVVXMFIL-XMSQKQJNSA-N 441.557 1.920 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1656497179 ANVRQQDUZCBLEE-UHFFFAOYSA-N 435.550 1.478 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)C2)nc1 1675541788 NODWOKHKMFKNGC-SFTDATJTSA-N 441.580 1.336 30 10 IDEE CO[C@@]1(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CCS(=O)(=O)C1 1684251613 KMFMXQLOIDWFIQ-GOSISDBHSA-N 426.926 1.247 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1685128360 OVUNINIETGZUQE-OAQYLSRUSA-N 425.526 1.999 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1689850970 KARZWOJWPQHKMK-IAGOWNOFSA-N 437.610 1.528 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1689851868 WOECRZJNAMNITR-WMZOPIPTSA-N 432.546 1.712 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1689853770 YERLTWFWAOJCSQ-NWDGAFQWSA-N 441.501 1.322 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](COC)OC)CC1 1690148624 NHZQUHNDAYETKJ-NRFANRHFSA-N 439.560 1.805 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)OC)CC1 1690148778 UJQDMNQCAZLROT-QGZVFWFLSA-N 425.533 1.878 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690184905 QTHUEDSFJCZLEL-KRWDZBQOSA-N 438.550 1.986 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1690251353 TXKWILXIJVUXEG-BEFAXECRSA-N 444.561 1.529 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690662806 DVQQIZCCEPWUNX-DOTOQJQBSA-N 439.476 1.213 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690668065 RCMLBGWTSIFBEC-UHFFFAOYSA-N 427.538 1.316 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1690742303 MCSYXCBEWOORPZ-INIZCTEOSA-N 433.582 1.533 30 10 IDEE CC(C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692400113 KCOSPJIOLKBCSC-QIEZACGCSA-N 446.552 1.937 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCCC1 1692536391 GWDQZKFDGCSBSY-UHFFFAOYSA-N 438.536 1.315 30 10 IDEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)C1CCC1 1695528839 BKZXAKIPJWIQBX-LZICOFPGSA-N 443.552 1.958 30 10 IDEE CCS(=O)(=O)NCCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1696505644 QIZHAJUGJNCIRO-SFHVURJKSA-N 444.561 1.416 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1697045356 NKXHHOBBKIPBKL-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1705524621 PWCQXNAPVLHLCG-INIZCTEOSA-N 432.550 1.334 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1705533742 ZLMYBOYHOMOXPU-RTWAWAEBSA-N 439.560 1.757 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1705568759 UUOUWGOECWBAGD-IRXDYDNUSA-N 448.545 1.527 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N(C)CC)CC1 1705642812 IEQUNBMKWDYTRJ-UHFFFAOYSA-N 430.940 1.744 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)COC)CC1 1705647647 JRBWDAYIPJFKEI-HNNXBMFYSA-N 442.520 1.254 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@H]1CC 1705663673 BRKRXMQGGOMLGB-CQSZACIVSA-N 432.575 1.351 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)N1CCSCC1 1705846484 IEPPTUTXKDJFOY-UHFFFAOYSA-N 439.611 1.141 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705901359 JCADOIOPEJDECW-RBUKOAKNSA-N 443.596 1.624 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](Oc3ccccn3)C2)nnc1[C@]1(OCC)CCOC1 1705908069 HCRAORSDNWRQLP-VGSWGCGISA-N 442.520 1.285 30 10 IDEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1706399265 BFBLJMBIIGASFB-KRWDZBQOSA-N 430.575 1.297 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1711384983 HYWBWJUZAMGVPG-UHFFFAOYSA-N 439.564 1.626 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1712294857 QLYHYIZKMVOUGL-VYJDPBSCSA-N 430.509 1.312 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1712696145 RJJCNISWJXTOLR-RTBURBONSA-N 445.545 1.494 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1722361001 DGTNYKKYLFNSQZ-GHTZIAJQSA-N 430.530 1.377 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccco1)N(C)C 1722377305 WFCVEGPJHWKNLC-HXUWFJFHSA-N 441.499 1.890 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1722404758 FGNKEBVZELCBPG-HSZRJFAPSA-N 425.533 1.992 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCCC2)CC1 1722442241 QPEIAWMEHNHHAZ-UHFFFAOYSA-N 425.533 1.926 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1722515297 JHEDBCHQRIRBKE-GOSISDBHSA-N 425.537 1.912 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722629360 KEMLDLJMKONZFI-QZTJIDSGSA-N 438.536 1.751 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1722726925 KFMLQTWISSBFDC-UHFFFAOYSA-N 425.555 1.815 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)C(C)C 1723596977 LGUBRLRALBSDFS-NRFANRHFSA-N 427.509 1.358 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cc1 1724247511 BMPXXKSKFAYMFW-CVEARBPZSA-N 447.565 1.223 30 10 IDEE CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1728554177 GOKZNOHFAFIALI-XOVGQFALSA-N 427.553 1.676 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1729369137 DTMFVLVUADVMMB-MRXNPFEDSA-N 430.534 1.609 30 10 IDEE CN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1729414013 BBCBTCRRAIKLRV-YGCDDZCOSA-N 435.488 1.392 30 10 IDEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCOCC2)CC1 1731186465 VFJUBMKXBMQWEN-UHFFFAOYSA-N 439.476 1.842 30 10 IDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740591503 TTZZNHKASBXTJW-GIVPXCGWSA-N 428.581 1.922 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1740627620 RNHUQACTDTYNQR-UXHICEINSA-N 449.621 1.531 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1740685901 NFFMRJUZWCYZCL-KRWDZBQOSA-N 441.598 1.379 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1 1740686846 XMRUBKSQYFKKAK-IDYZSHNDSA-N 438.594 1.862 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740787089 ZXXYXFUARKWKLF-ICSRJNTNSA-N 432.569 1.323 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1740961816 ZEKNYAGPZIQWCP-UHFFFAOYSA-N 429.521 1.774 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2n[nH]c(C)n2)C1 1740983938 SURSWMZGSLXUSM-HNNXBMFYSA-N 442.549 1.720 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCSC2)C1 1740990928 JUWPKESHTNVPKF-KSSFIOAISA-N 425.580 1.163 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1741094200 VLSKRXWUFPBEOF-FQEVSTJZSA-N 439.564 1.747 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)C1 1741211219 HBORWBSTNPSHAE-SFHVURJKSA-N 439.520 1.860 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1748282298 GVRHRZXRSLVLIO-UHFFFAOYSA-N 438.536 1.440 30 10 IDEE CO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1748402746 JCOPTDSJYKULAQ-IJLUTSLNSA-N 426.465 1.452 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1748672693 WTUBQVXXXSNFJX-GZJQFRAZSA-N 434.587 1.565 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1748788297 AIHXPTPYIDYBMK-MRXNPFEDSA-N 448.568 1.818 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1748863915 KQKPNOHAYILZKI-OALUTQOASA-N 434.610 1.616 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCN(C)C2)n1 1748971328 LYTPBJNRAZKVQB-HSZRJFAPSA-N 443.596 1.416 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCN2CCCO)CC1 1749015322 CUCUBNUXGWRBIF-FQEVSTJZSA-N 428.581 1.043 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1749022775 MNGXUPIGAUCMHH-INIZCTEOSA-N 440.639 1.319 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749219695 PRJPVUKRIJMOLH-KRWDZBQOSA-N 444.561 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749659485 FEQFEPJMDMHCPE-UHFFFAOYSA-N 432.550 1.155 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1749668702 CVXJAYBNINXFFP-VQTJNVASSA-N 425.533 1.922 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749755318 FGDQLYMTXYEJOH-LSDHHAIUSA-N 432.554 1.233 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccc(C#N)o1 1750151589 SWLFVGVDLNKHHT-YOEHRIQHSA-N 430.465 1.403 30 10 IDEE CS[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750244525 WREVIPFFNVLJGO-CYBMUJFWSA-N 427.534 1.687 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCN(C)C2)CCOC1 1751020996 BYJUJGLWPRNDJK-BHIFYINESA-N 432.569 1.515 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCCC2)CC1 1760255915 CFCZUSGAWLJCEZ-DEOSSOPVSA-N 444.624 1.948 30 10 IDEE C#CCSCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760285582 KPXZJRPEBAHKHA-LJQANCHMSA-N 443.573 1.792 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760351721 KQOSYHHSPOWOEY-LJQANCHMSA-N 425.555 1.024 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H](O)C2)C1 1760535510 SBSWWGPKEYVXOC-MWDXBVQZSA-N 427.571 1.221 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760805785 IQOLCCQVUYDUSP-JKGBWWFKSA-N 444.561 1.864 30 10 IDEE CC(C)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760912873 VVQBBEUAFGJESB-RWNPKEDZSA-N 443.552 1.086 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)[C@H](C)C1=O 1761120789 GELDOQWPBXEHFB-MRXNPFEDSA-N 433.520 1.687 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CCN2C1=O 1766929049 VREDAEFDBGPKKE-GOSISDBHSA-N 437.504 1.452 30 10 IDEE CCO[C@]1(c2nnc(N(CCS(C)(=O)=O)C3CC3)n2Cc2ccc(C#N)o2)CCOC1 1767415187 JZUSNTFMHYHNMP-HXUWFJFHSA-N 449.533 1.457 30 10 IDEE CN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1768544082 QSVNOFSTOHGOLO-STGLLQLASA-N 427.534 1.752 30 10 IDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769737757 IUQFTRNAXHZGTA-CZIZESTLSA-N 433.472 1.568 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@H]3CCCO3)n2CCOCCCO)CC1 1771530205 DJLFKCOLRXIEGI-HXUWFJFHSA-N 444.511 1.866 30 10 IDEE COc1cccc(C#CCNC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 1850093989 QZBVWIURDXFEKV-UHFFFAOYSA-N 433.452 1.272 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)O[C@H]1c1cccc(OC)c1 1853274373 MJBFHSMBIRQVHM-PMACEKPBSA-N 427.478 1.855 30 10 IDEE C[C@H]1CCN([C@@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855419553 FGNYZQAYVHGHHB-FXAWDEMLSA-N 431.558 1.908 30 10 IDEE CC(C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869927897 HGAHGNDEYIDLKZ-ICSRJNTNSA-N 444.557 1.874 30 10 IDEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870476568 XDTWSLOAZAKHQY-UHFFFAOYSA-N 441.528 1.925 30 10 IDEE CCc1nc(C2=C(N)N(c3ccc(N4CCN(C)CC4)cc3)CC2=O)sc1C(=O)OC 1873527795 REDWIBSGEXSGTH-UHFFFAOYSA-N 441.557 1.961 30 10 IDEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873595948 ZJBUCDBWOYXPGD-UHFFFAOYSA-N 436.520 1.302 30 10 IDEE Cc1nn(C)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 1881501666 RHXQHTMPMZCZAB-QWHCGFSZSA-N 427.347 1.936 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2064130625 PQXGUNNXIZZNMC-SVXVCFNTSA-N 440.346 1.459 30 10 IDEE C=CCn1ncc(NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106080935 RDMHVMNPSVPWJK-UHFFFAOYSA-N 428.287 1.079 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCO 2130091497 LJPKZCNFFQQJQR-CQSZACIVSA-N 432.523 1.759 30 10 IDEE N#C[C@H]1CCN(S(=O)(=O)NC2CC3(C2)[C@H](NC(=O)OCc2ccccc2)C3(F)F)C1 2207115632 AFEJFVWOCMNROQ-CTMQZQKCSA-N 440.472 1.759 30 10 IDEE C=C(CS(=O)(=O)NCC1(CNC(=O)OC(C)(C)C)COC1)B1OC(C)(C)C(C)(C)O1 2247899542 OAADXVNQSAPIKN-UHFFFAOYSA-N 446.375 1.635 30 10 IDEE Cc1csc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247920101 VSGCBBLWVYFIQX-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255712513 ODLZZNLMFUXQNR-LBPRGKRZSA-N 429.248 1.845 30 10 IDEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255799458 IQQQJYJALKLEOG-UHFFFAOYSA-N 449.338 1.083 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255831250 SDMPZBLHGNJAIE-IPYPFGDCSA-N 432.330 1.837 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844639 ZVSSKDLHUIDJQQ-OAHLLOKOSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267270072 JKPMFFCMIUGGCP-CABCVRRESA-N 447.341 1.481 30 10 IDEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267538998 XWSSMIGFFYXXRA-UHFFFAOYSA-N 436.325 1.631 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)n1 2267544002 NVERDGKGBNBYJM-OAQYLSRUSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2268708285 ZCHWKXNLQUORBM-YESZJQIVSA-N 445.325 1.954 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2311709945 CPFRIXZBHXRAFQ-OWCLPIDISA-N 438.330 1.118 30 10 IDEE CN1C[C@H](C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2319724143 LRSYEQZPVHJAIQ-LSDHHAIUSA-N 437.346 1.759 30 10 IDEE CCOc1cc(C(=O)N[C@H]2CCN[C@H](C(=O)C=CC(=O)O)C2)cc(OCC)c1OCC 2328147349 LQOCIIVMWITOOL-HOTGVXAUSA-N 434.489 1.943 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C 2337187153 BJDORFWOENEIFO-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE C/C(=N\Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccccc1 21081383 LOCFXQSXJOPAHL-UFFVCSGVSA-N 425.478 1.076 30 10 IDEE C=CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 72389199 SGTKDDRCBLYDGM-OFVILXPXSA-N 448.523 1.470 30 10 IDEE CC(C)CCn1c(NN/C=C2\C=C(Br)C=CC2=O)nc2c1c(=O)[nH]c(=O)n2C 136484697 YYPMJJPJWMYNIC-PKNBQFBNSA-N 449.309 1.688 30 10 IDEE C=CC[C@@H](CO)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 410074814 MYJJAFKXDBJNOB-CVEARBPZSA-N 432.546 1.598 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C1CCN(c2cnccn2)CC1 435247134 VOXWJKOGJZQOKT-UHFFFAOYSA-N 438.488 1.439 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)c1C#N 438132240 QPFQMXSOKQTISE-MSOLQXFVSA-N 427.553 1.613 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)n[nH]1 440764329 UNFJUEMRBJWNBE-CQSZACIVSA-N 427.534 1.790 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 478742879 FLUUBCGZEOBQKB-CVEARBPZSA-N 430.551 1.649 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 479879006 GSLOCPSVESYXTL-UHFFFAOYSA-N 432.528 1.731 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CC1 482574401 DBRVEULLLXXGSK-UHFFFAOYSA-N 425.533 1.828 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 483100342 NNCAEDIELZETRA-MAUKXSAKSA-N 432.546 1.522 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCNC(=O)C[C@H]3c3ccccc3)C2=O)cc1 488261441 XGXFPHLDKYFONE-RTWAWAEBSA-N 431.496 1.932 30 10 IDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 518388024 KNJLYCIJJKGUGY-LJQANCHMSA-N 436.516 1.547 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)cc1 521929154 HFPHTIMAGGGVPW-LJQANCHMSA-N 446.492 1.997 30 10 IDEE COC(=O)C1(c2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 539555638 GRZKFUBLDRKWHK-UHFFFAOYSA-N 426.498 1.669 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 549286275 UDFXPENZOUQGMJ-IBGZPJMESA-N 433.601 1.224 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCCO2)CC1 550012533 ACMWIBZLSZAWNP-GOSISDBHSA-N 425.537 1.333 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 570980501 ZCGBQOFKMHQYIZ-UHFFFAOYSA-N 428.445 1.990 30 10 IDEE CCOc1cccc(CCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 588196530 IGHOUZCVFHVIKX-UHFFFAOYSA-N 437.500 1.830 30 10 IDEE C[S@](=O)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 609816423 MTJQFVJXSKFYFD-NDEPHWFRSA-N 432.527 1.834 30 10 IDEE Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(C#N)cc2F)cc1C 611643397 NVLIOIOZEYYAQH-PXNSSMCTSA-N 431.489 1.755 30 10 IDEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1 726312341 GSVWDOXPWIBEGF-FQEVSTJZSA-N 440.525 1.822 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(C)C)cc1 730140263 JOWXNUUYMCLCHZ-KRWDZBQOSA-N 433.578 1.555 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@](O)(C(F)(F)F)C1 741140879 WQLALZOXFOBGCK-SUMWQHHRSA-N 433.452 1.810 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1 741972598 XOUDHNQTTSFRLY-YVRYJGMNSA-N 432.480 1.857 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 745872885 DTNAPZJNWWDHSK-ROUUACIJSA-N 437.585 1.699 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)cc1C#N 747499228 XVYIAMBZOWNQHP-UHFFFAOYSA-N 434.449 1.211 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OC/C=C(\C)C(=O)OC)nnc12 748158745 XIZZFYNWRONMMB-UKTHLTGXSA-N 428.470 1.985 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC2CCS(=O)(=O)CC2)C1=O 755542390 FUFGWCZBQFBZEI-HNNXBMFYSA-N 427.523 1.718 30 10 IDEE O=C(O)C#CCNC(=O)[C@@H]1OCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757488206 YSJIMGLEOJGPJZ-RBBKRZOGSA-N 434.448 1.887 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1 758563004 UJTNTUVPMNQCST-KBXCAEBGSA-N 439.493 1.056 30 10 IDEE Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761089522 XVXFMYOEUUACHI-UHFFFAOYSA-N 428.420 1.989 30 10 IDEE C#CCN(C(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)[C@H]1CCS(=O)(=O)C1 767871475 MKQWYWRAEMKNJA-HMQMGEFJSA-N 438.546 1.098 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N[C@H](C#N)C2CC2)c1 768180971 RTGZCWVXZISKSL-CYBMUJFWSA-N 433.271 1.573 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)cn1 772276633 DZIHIAHPTAUFIP-GOSISDBHSA-N 432.505 1.772 30 10 IDEE N#Cc1ccc(C2(C(=O)OCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)cc1 781401677 SUEABGLSYDGNPX-UHFFFAOYSA-N 425.466 1.370 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)n1 788695525 RNFNLVZCMOUEEL-UHFFFAOYSA-N 448.520 1.729 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793469419 QBWRBVTYZWNIMV-UHFFFAOYSA-N 447.520 1.177 30 10 IDEE CCn1c(S)nc2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)ccc2c1=O 916178669 JKJKQBQXQIAYIO-UHFFFAOYSA-N 428.495 1.837 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3OCC)n2N)cn1 1084334545 KTRMAECWOAHALY-UHFFFAOYSA-N 441.521 1.950 30 10 IDEE CN(Cc1cc(C#N)cs1)C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1134468675 QSEKHLLHHPGQRE-UHFFFAOYSA-N 426.541 1.710 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C1CCOCC1 1148195555 XFQROQBGYXTKIM-RTBURBONSA-N 436.530 1.261 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1154387021 OVMRKAMIKHGJKY-BTYIYWSLSA-N 432.525 1.009 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CC(n2cnc3c(N)nc(N)nc32)C1 1156035817 HHOKJULQQSLAAM-UHFFFAOYSA-N 427.266 1.251 30 10 IDEE C#C[C@@H]1CCCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1161557295 UJJUGMGWZZJUNL-OAHLLOKOSA-N 429.498 1.447 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)Cc2ccco2)c1 1161850931 LRXSJZXCVLKPNE-UHFFFAOYSA-N 433.530 1.719 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 1222621754 FLNONROWYCTKAH-UHFFFAOYSA-N 433.505 1.649 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 1224586000 YQGYBZSYKSUTOT-UHFFFAOYSA-N 434.927 1.168 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 1253170040 YEZCBKFQKJFMAF-IAGOWNOFSA-N 427.571 1.142 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOC1=O 1286407751 QKWYDPUGWFAVQF-UHFFFAOYSA-N 431.456 1.509 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(N)=O)c1 1286432584 PTLIWICIVIUREB-UHFFFAOYSA-N 446.536 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(N(C)C)CCCC2)CC1 1286493505 CUWNEDVMFYUIKQ-LJQANCHMSA-N 428.581 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2cccc(C(N)=O)c2)CC1 1286494043 KXWOOCLAJOLUNJ-UHFFFAOYSA-N 434.544 1.538 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286606034 DZEFQDNEKJZVRX-LJQANCHMSA-N 438.532 1.784 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1286722422 IVJROFWZGRRYQK-UHFFFAOYSA-N 445.549 1.142 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1286772857 FTAHXAUJFCBFGJ-AWEZNQCLSA-N 436.563 1.577 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286787201 CGAHNAJHQXTLKO-LJQANCHMSA-N 444.580 1.703 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1286905921 BMTFGJPNYPLKRB-MRXNPFEDSA-N 431.447 1.303 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1286959012 CLRWQAMFKMCCQL-HZPDHXFCSA-N 444.565 1.924 30 10 IDEE C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1288600015 WIZQZUAOGZQNST-CQSZACIVSA-N 447.503 1.410 30 10 IDEE N#C[C@@H](NC(=O)COc1nsnc1N1CCOCC1)c1ccc(Br)cc1 1290675577 LXTINIKTSUDKGH-CYBMUJFWSA-N 438.307 1.897 30 10 IDEE CCn1cnnc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1295953415 GHKYRTPFNOWKOM-PBHICJAKSA-N 426.456 1.946 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1299236595 OMCGPHNZIOVMBQ-UHFFFAOYSA-N 430.516 1.977 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCCC1 1300519767 BCNOXRKFJCUEEK-UHFFFAOYSA-N 429.532 1.870 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CCOC)c1 1300606298 KZLQKCMZPLJTHE-UHFFFAOYSA-N 442.545 1.699 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCC(OC)CC2)CC1 1300686187 YCPVEIPTDXYKQS-YABDQXBESA-N 431.581 1.891 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1300767990 IRHWRWSSVFRFIE-UHFFFAOYSA-N 430.578 1.262 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1301586225 QXWQEBSGYHGGRN-CQSZACIVSA-N 441.517 1.933 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1301769746 DOOMCFJGFGOVKX-QFIPXVFZSA-N 443.502 1.614 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1302212008 NNPSFRGRQIZYAL-IBGZPJMESA-N 439.520 1.426 30 10 IDEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)s1 1304782025 AXYGPHGVFNIXBA-HNNXBMFYSA-N 429.531 1.648 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1315842108 YBSYOKAPOTZVQD-ZBFHGGJFSA-N 438.529 1.918 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1316039101 JGTCGOBSRVKDHW-KRWDZBQOSA-N 437.548 1.642 30 10 IDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1358913554 QVGPXRXXFMWPLV-KURKYZTESA-N 447.536 1.952 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1358920277 WEVLMLDQIKDQOT-HNNXBMFYSA-N 448.524 1.294 30 10 IDEE C#CCN(c1nnc(C)n1Cc1nc2cc(OC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 1358956127 AVEWOMMCTNBVJC-OAHLLOKOSA-N 428.518 1.157 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1359024708 SZVMDLHNPKIQKK-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[C@@H]1NC(=O)NC1=O 1359066929 VBGCMBNFUQUUSY-HRAATJIYSA-N 437.460 1.834 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359202634 YONZGRDKWXBLFY-YSIASYRMSA-N 443.596 1.574 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1)C1CC1 1359251713 STVBPVQUFPJDJK-GOSISDBHSA-N 435.525 1.953 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)ccc1F 1463127362 QCFPVUGGKAPRMQ-INIZCTEOSA-N 430.523 1.329 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c(=O)nc1O 1470360085 BXWJSNUCSHUQAX-IBGZPJMESA-N 430.420 1.705 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@@H]3CCCCN(Cc4ccccc4)C3)C2)c(=O)nc1O 1470425337 LFUXFCHJSHTDPD-SFHVURJKSA-N 436.516 1.689 30 10 IDEE CN(CCO)S(=O)(=O)c1ccccc1CNc1ncc(Br)cc1C#N 1472686714 BOMYPQCPULTUBQ-UHFFFAOYSA-N 425.308 1.941 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CCOC[C@@H]2C)n1 1492748416 DZVJEUJJSQPEIC-UGKGYDQZSA-N 426.569 1.991 30 10 IDEE COC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1503889327 JJGVJZSFLHLXGB-NRFANRHFSA-N 444.492 1.720 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1505144936 XFZLLVHPMJTSPO-NRFANRHFSA-N 444.561 1.763 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1507632753 AIMAAFLYDBQXLP-SFHVURJKSA-N 428.562 1.511 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 1507633874 KHBZELHBODLAPL-GOSISDBHSA-N 449.621 1.358 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1507681348 WPTSFRBGQVALQO-GOSISDBHSA-N 445.589 1.776 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1507689715 MHEJYPFTAZLIDA-KRWDZBQOSA-N 430.530 1.654 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1507691051 ZUQDYUZFJSGYRK-OAHLLOKOSA-N 425.555 1.555 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507732000 HJCIWQHAVWBPTJ-JTSKRJEESA-N 429.496 1.291 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507842918 FLCPEOFXVYZBPL-QZTJIDSGSA-N 445.568 1.404 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCC2)CC1 1507901675 DQRUTOGVVXODKK-KRWDZBQOSA-N 439.582 1.319 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCNS(C)(=O)=O 1508000628 YLLHNFFIVJFHNS-UHFFFAOYSA-N 438.517 1.349 30 10 IDEE CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1514540537 KATANIPLNXKFSP-GOSISDBHSA-N 438.536 1.639 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1515444090 TVBQUBFXAMKLGC-INIZCTEOSA-N 432.477 1.600 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C 1517127172 DJMUOLPPSVCNNE-SFHVURJKSA-N 435.532 1.937 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 1524343541 RXRFSNUCDKFXOX-UHFFFAOYSA-N 434.478 1.218 30 10 IDEE N#C[C@]1(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCCOC1 1534393181 SSIYYVOAGLGGFF-LJQANCHMSA-N 435.322 1.852 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)COc2ccccc2C#N)C1 1534577642 SEACCEXNEYOMKR-MRXNPFEDSA-N 437.518 1.477 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(=O)NCCC)c1 1539040567 XGSMCSLPQHYXOY-UHFFFAOYSA-N 446.515 1.708 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1539178875 LGTWTKRHXKIDSJ-SFHVURJKSA-N 428.562 1.683 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@H]1C 1539242237 QHWFFITWGOSHLS-LIRRHRJNSA-N 432.322 1.659 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCNS(C)(=O)=O 1539245562 CLUMRDPNBIAJLI-UHFFFAOYSA-N 442.364 1.391 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1539259191 AXUHXIIHWSCDQS-UHFFFAOYSA-N 425.399 1.048 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nccs2)CC1 1539431234 ROBFYEZLPRSFAG-NRFANRHFSA-N 430.578 1.773 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1539556354 BPZJLRAMLYINTJ-RLFYNMQTSA-N 427.596 1.355 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1540133640 MHHPWBWIVYNSBV-SFHVURJKSA-N 447.561 1.329 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1540902261 FIMCIWKYLGGDNB-GOSISDBHSA-N 447.561 1.379 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCCCS(C)(=O)=O)C1 1541990215 BQHSHTOUHHZNEA-FQEVSTJZSA-N 436.582 1.745 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1555699278 CKQDURKVVOIMES-QHCPKHFHSA-N 440.548 1.515 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)C(C)(C)C 1555728914 XDZYQXZOJMVTDY-JYJNAYRXSA-N 427.571 1.811 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 1556643017 CPJYYMGBIALXCA-VLQPXKRTSA-N 445.545 1.735 30 10 IDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1558104714 HFFDBVNZWYKDIA-SECBINFHSA-N 438.321 1.694 30 10 IDEE CC1(C)C(=O)N[C@@H]1C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1559861233 CUUTUMCREBDMDY-FXAWDEMLSA-N 429.590 1.694 30 10 IDEE C#CCN(C(=O)c1cnn(C[C@@H](O)CO)c1)[C@@H]1CCOc2ccc(Br)cc21 1565764035 AEJUFZYDLZPAOF-NVXWUHKLSA-N 434.290 1.598 30 10 IDEE N#Cc1cccc([C@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C(F)(F)F)c1 1583134993 QEINKVNGHCGZSU-BBRMVZONSA-N 442.419 1.443 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@H]1CC 1587823107 KAPPDMXWCLHAHD-GOSISDBHSA-N 444.561 1.324 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587868981 GVFPMXKPELVPEJ-GOSISDBHSA-N 441.561 1.814 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1588090258 VKAHDFZGKMFTQG-DEOSSOPVSA-N 443.592 1.892 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1588170255 CAEMZNFAFKHVBG-QZTJIDSGSA-N 433.578 1.305 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 1588199765 YZRVBNJQFGPETF-UHFFFAOYSA-N 448.570 1.185 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)nc2)CC1 1588733162 OTRJVUZQJHWJCO-UHFFFAOYSA-N 436.907 1.777 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCO[C@@H]2CCOC2)CC1 1588930261 RDIQBSSLHDLRTC-UXHICEINSA-N 445.564 1.681 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1595283559 SNIHQMKBKKJGED-IBGZPJMESA-N 440.953 1.787 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1595556332 RSOBKZRUSOLCIT-LJQANCHMSA-N 440.523 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccn2)CC1 1595788830 KFXCWLLGWDIHJM-UHFFFAOYSA-N 440.533 1.058 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2cccn2)CC1 1595797171 FFHHZUSORMDGSJ-SFHVURJKSA-N 434.566 1.496 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1595798386 OTRKFBVDUOJLBO-QGZVFWFLSA-N 433.534 1.118 30 10 IDEE CSC1([C@H](C#N)N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1597813140 PDFMBQCAMDNTFP-PBHICJAKSA-N 449.554 1.870 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1c(C)nn(C)c1C 1607425107 BVTYDSVVFKDNHB-DLBZAZTESA-N 447.561 1.484 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](C(=O)OC)C[C@H]3C(=O)OC)n[nH]2)c1C 1623714566 KGEIFAOSQQFHEF-YOEHRIQHSA-N 429.477 1.643 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1624614089 ZJXVGTXNDXGNLT-JXMROGBWSA-N 446.500 1.886 30 10 IDEE CCOC1CC(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)(N2CCOCC2)C1 1626560580 WENGOCHQOIXAME-UHFFFAOYSA-N 439.509 1.123 30 10 IDEE O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCCN/C(O)=C1\N=CC=CC1=O 1628386270 SBXHDJNEJBDFAC-XCHVRBFASA-N 433.262 1.518 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)=NO2)C1 1628965064 HEUMKWHMJGMSQM-SFHVURJKSA-N 439.516 1.989 30 10 IDEE C[C@@](C#N)(NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CCCCC1 1629385280 PSNCYOUJIBCVNF-SFHVURJKSA-N 427.548 1.347 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)s1 1632206912 ZKSGIGRISNDKSK-LBPRGKRZSA-N 425.498 1.850 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(C(=O)N2CCOCC2)CC1)c1ccc(Br)cc1 1636562037 HYFTZXQWBDVXCI-QGZVFWFLSA-N 435.322 1.903 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1641890741 QFEKEHRPYDQJHQ-HXUWFJFHSA-N 429.498 1.835 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCC3(CC2)CNC(=O)c2ccccc2O3)nc1 1648304918 MWVKAOSQGIZPMR-UHFFFAOYSA-N 426.498 1.384 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1661265691 PYZVQFOGEHVSKR-UHFFFAOYSA-N 448.522 1.134 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)C1=O 1678834292 JNCNEKRSCVIWTN-INIZCTEOSA-N 439.438 1.892 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1 1682120706 YJKBEYNOQRUSNC-UHFFFAOYSA-N 433.505 1.697 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)cc1 1682154138 ULQPYIVHWAXICX-UHFFFAOYSA-N 443.529 1.507 30 10 IDEE C#CCOc1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 1682742094 AHGOOZTUIWXVJB-UHFFFAOYSA-N 427.526 1.933 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)C1CCOCC1 1682886987 DOCOLMZIZIYRON-QGZVFWFLSA-N 431.518 1.007 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)C1 1685267422 YLJTXDXMWLECAE-IBGZPJMESA-N 438.532 1.670 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCCCC1 1689945163 BEVNUQVNXDAMNW-QGZVFWFLSA-N 430.578 1.996 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1690003555 QIWYCQXUTIEBGN-WMZHIEFXSA-N 438.532 1.404 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690054157 OSJNPTDPMCQBRC-IBGZPJMESA-N 445.483 1.180 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCN(C)C1 1690054662 DBZNQZREVOWNBK-XMMPIXPASA-N 437.544 1.785 30 10 IDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690156447 XBCXGAVYZKKSNQ-CALCHBBNSA-N 447.948 1.789 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1690420188 KBERWRZRQLENDA-ZBFHGGJFSA-N 426.587 1.596 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1690526816 DXOOXYJFGZOXIF-CRAIPNDOSA-N 435.550 1.335 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)C 1690671893 BLGPXLCZZPBKOT-KRWDZBQOSA-N 428.493 1.054 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690723441 RRDZJJPOZNCJAB-MRXNPFEDSA-N 425.555 1.861 30 10 IDEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690736759 NYTAKFWBAADSHA-INIZCTEOSA-N 442.545 1.020 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1692522671 INNLVTDSMOSLJY-BTYIYWSLSA-N 445.474 1.342 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CC(F)(F)CO1 1692786133 ZWDYPTAFWFNKQH-QWHCGFSZSA-N 432.497 1.443 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1698117976 NAALLDTUFLOJAQ-ZHRRBRCNSA-N 426.521 1.988 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cn(C)nc1-c1ccccc1 1705585472 SZRYWMMFGGHQJV-UHFFFAOYSA-N 427.512 1.922 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1705590863 YHMDWTBZDHZRKH-OAQYLSRUSA-N 434.562 1.360 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1705616457 ACLAHABNLQKSDN-UHFFFAOYSA-N 429.546 1.475 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C(C)C 1705624882 ADRBFPGBQKHBKH-GOSISDBHSA-N 426.496 1.780 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)c2ccco2)CC1 1705642897 KXRPHNVHYKHKBS-UHFFFAOYSA-N 448.527 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)COC)CC1 1705647648 JRBWDAYIPJFKEI-OAHLLOKOSA-N 442.520 1.254 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCO[C@@H]2CCOC2)CC1 1705649405 WRRJWIYHHYWZMS-GOSISDBHSA-N 426.521 1.435 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1705665799 DWGZLZZVMWYLAB-GOSISDBHSA-N 431.537 1.883 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1nncn1C 1705693914 MBKHIUWDFNLRNV-IKGGRYGDSA-N 428.541 1.868 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705738484 ZFORHNPBDQPXGH-SFHVURJKSA-N 433.553 1.768 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(N2CCCC2)CCOCC1 1705883622 OVPFBNNGRJPAEJ-UHFFFAOYSA-N 429.569 1.962 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCCCC2)C1 1705894818 MEDQRNULSMTVFX-GOSISDBHSA-N 431.585 1.563 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705907420 MGWDSZVALCCMGJ-CVEARBPZSA-N 444.561 1.720 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705933655 OFWSCPJONZEJEB-ZDUSSCGKSA-N 438.941 1.261 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1706032902 FYIIFXJGASDVRY-UHFFFAOYSA-N 448.531 1.924 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccco1 1706162225 UTWRINBVWJMJBK-IRXDYDNUSA-N 444.492 1.957 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCCNS(C)(=O)=O 1711085560 LELANSXPMLFTPD-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1712492672 GPNMXXMLVPNIJL-UHFFFAOYSA-N 441.536 1.022 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1722293324 CFYLFNOVAOWKMN-ROUUACIJSA-N 435.594 1.283 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722491251 JFNCHUZLLHKWKQ-LNLFQRSKSA-N 444.580 1.700 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722598294 CGEDHMWLNMVYHA-MRXNPFEDSA-N 431.541 1.539 30 10 IDEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722620012 AUNUWBSVJCZOBS-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(CCC)CC1 1722697026 HBLLSIXJOLWQII-UHFFFAOYSA-N 443.552 1.619 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1722743277 VVBHRHVIJJPDAD-CQSZACIVSA-N 434.591 1.856 30 10 IDEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1727076184 GYZNYWSXRXAHIW-SFHVURJKSA-N 439.564 1.842 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1730599778 NHFAYFALVGMJQM-TUPYQCFKSA-N 441.492 1.040 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1731184451 AVBRQFRRVVQKRU-DOTOQJQBSA-N 446.458 1.855 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1740620053 SUVRSXNAQMQGGJ-UZLBHIALSA-N 434.518 1.198 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)cn2)CC1 1740698697 LCJGIAWHACHMLY-UHFFFAOYSA-N 439.520 1.607 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740710225 SNAVGZKLFPLRHX-SFHVURJKSA-N 434.610 1.428 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740868780 SKQKWKIIFQCQOG-IAGOWNOFSA-N 448.597 1.750 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1740917809 FVPHIUYKYNAIDC-PGRDOPGGSA-N 443.573 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1740985730 KURZVYHQSZVFSX-UHFFFAOYSA-N 439.611 1.743 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1741073371 BBUKJROCAMLXCU-GHTZIAJQSA-N 426.546 1.790 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1741799459 JQZHALZRTLTCQP-INIZCTEOSA-N 442.568 1.770 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1747812560 LEEBCAZYEXLFNO-UHFFFAOYSA-N 429.435 1.782 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1748638605 SHFYBVGNGZAYLN-IAGOWNOFSA-N 433.520 1.786 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1748771079 HDTGYDSDMCBSNX-JOCHJYFZSA-N 426.521 1.280 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1748802409 PNBPRSAYEZCVSE-IXDOHACOSA-N 442.545 1.913 30 10 IDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748820600 FLOWUNGIJJTLOI-MJGOQNOKSA-N 446.573 1.734 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncccc2C)n1 1748971110 CZNGSQFFKLNWOG-IBGZPJMESA-N 448.531 1.464 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCN2CCOCC2)nnc1[C@]1(OCC)CCOC1 1749140309 NTOOGWCUWGTQPG-QTEQDKRBSA-N 449.596 1.680 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1)C1CC1 1749518035 WQSNRAUFFQARAZ-SFHVURJKSA-N 429.546 1.977 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1750076484 OCHFVTRNIPUGJR-JWUWVAEESA-N 444.561 1.920 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1751984088 XBQLYUIERBIJSI-MRXNPFEDSA-N 435.532 1.790 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760145352 NKONNIBRAGZMDD-KGLIPLIRSA-N 436.504 1.375 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760188996 FCDFPZTYZKGKOX-IBGZPJMESA-N 430.578 1.231 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC[C@@H]2COCCO2)n1 1760253484 ZLJIOJGRYLOXPR-LJQANCHMSA-N 430.553 1.864 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1760255277 GBNAJUKLSIVMMB-SFHVURJKSA-N 437.504 1.523 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCOC2)C1 1760310482 HAJYPGHHOOGHHV-QGZVFWFLSA-N 426.315 1.305 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1760323341 CKUCSVHXWXDPTJ-PGRDOPGGSA-N 440.548 1.540 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1760356392 MOGLLBMXEXQMTA-MRXNPFEDSA-N 434.541 1.879 30 10 IDEE Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1762249925 COVQOQSAZNRNBF-BDJLRTHQSA-N 427.531 1.452 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCC(C)(F)F)CC2)c1C#N 1762399882 GIEXWNXPJSULHU-OAHLLOKOSA-N 447.494 1.515 30 10 IDEE CC[S@@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766747907 VGICAQHQMOAKEV-NOVUIFNWSA-N 430.534 1.823 30 10 IDEE CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1768249473 HIGNQLRSIVGOEH-INIZCTEOSA-N 446.581 1.483 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)OC 1769237730 HJXAMHQCNJZKST-ZWKOTPCHSA-N 425.493 1.034 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1769273949 YUQRPIQBJQUORK-XLIONFOSSA-N 433.509 1.816 30 10 IDEE N#Cc1ccc2c(n1)CCCN2C(=O)c1cn([C@@H]2CCCN(C(=O)C(F)(F)F)C2)nn1 1849384991 FYEZKKFTNAPWNA-CYBMUJFWSA-N 433.394 1.864 30 10 IDEE C=CCOC(=O)[C@@H](NC(=O)[C@H]1CN(C)C=N1)c1ccccc1I 1852304789 WYJZVFZNKIYOQL-KGLIPLIRSA-N 427.242 1.520 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1854444110 RGXJVSLMWUXNNT-ZWKOTPCHSA-N 438.594 1.866 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)C4CCCC4)C(=O)C3)C2)cc1 1855829771 GLTBQNAMEHVVFX-GOSISDBHSA-N 430.530 1.182 30 10 IDEE Cn1c([C@@H](C#N)C(=O)CN2CCN(c3nnc(C(C)(C)C)c(O)n3)CC2)nc2ccccc21 1859428197 OJUIJCOIJORAAR-HNNXBMFYSA-N 448.531 1.760 30 10 IDEE C=CCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 1872707591 YNPFBHDXWOVDBG-SNVBAGLBSA-N 434.474 1.976 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(N(CCOC)CCOC)ncnc21 1873562433 CLAFXLGVAMLCIW-UHFFFAOYSA-N 433.553 1.951 30 10 IDEE C=CCn1c(C(=O)NCc2ccccc2C)cc2c(N3CCN(CCO)CC3)ncnc21 1873594657 YVCMFGWGAVOPDM-UHFFFAOYSA-N 434.544 1.970 30 10 IDEE C=CCOc1ccccc1OCc1nnc2sc(CNC(=O)COCCOC)nn12 1874773232 FTALUAHTTZRTHK-UHFFFAOYSA-N 433.490 1.609 30 10 IDEE CC(C)(C#CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)NC(=O)OC(C)(C)C 1993921762 UANZLCDMAALOMP-LSDHHAIUSA-N 425.526 1.637 30 10 IDEE CC1(C)OB(c2cnc(N3CC(CS(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2116143050 VLRGSYXUHCCCAM-UHFFFAOYSA-N 431.161 1.624 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1cccc(C#CCO)c1 2145939582 RNSOQTVWHNUKCB-UHFFFAOYSA-N 426.494 1.526 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2243405860 OHZRKTVXTLSWLZ-CYBMUJFWSA-N 426.344 1.663 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)C1 2247556322 GBLIDVKAXHPLCO-OJLPUSQMSA-N 437.537 1.949 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255853021 KZNZNBZUAPUTIN-WCQYABFASA-N 429.248 1.986 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@@H]2C1 2255878238 VKGMDBZEDBEBMM-HZPDHXFCSA-N 429.326 1.976 30 10 IDEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256625037 RADYNGILLKUXHS-KRWDZBQOSA-N 434.342 1.830 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)n1 2267113568 VTKQGYCGUJEXMX-NRFANRHFSA-N 449.361 1.538 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267263129 AXPGAQACJKHJMQ-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267265834 LCOLAGKTCINDSB-IAGOWNOFSA-N 447.341 1.745 30 10 IDEE COCC1(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267273892 SJZMYPILRBKOHN-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267514305 XHTHKPPGBKMJCD-GJZGRUSLSA-N 446.357 1.658 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@H](C#N)CC12CC2)NC(=O)OCc1ccccc1 2288539205 GXYARORTBSDZCY-DLBZAZTESA-N 435.502 1.552 30 10 IDEE CC#CCN(CC(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 2300545124 OOOSWDXCACHRMF-INIZCTEOSA-N 437.537 1.830 30 10 IDEE C=CCNC(=O)N1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 34692204 MYZJBJIOGRYWCF-FQEVSTJZSA-N 434.512 1.197 30 10 IDEE C=CCn1c(=O)c(N2CCC(NC(=O)NCCC(=O)OCC)CC2)nc2cccnc21 64579400 QEOUDJXWZFPGJF-UHFFFAOYSA-N 428.493 1.199 30 10 IDEE C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 96965923 HBHYCZCWFMWPKS-CQSZACIVSA-N 432.468 1.772 30 10 IDEE COc1cc([N+](=O)[O-])cc(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1O 254515890 NJXCJUCJOVWRQH-UHFFFAOYSA-N 444.452 1.377 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 472150647 CEOHHXIJAKFPEZ-OAHLLOKOSA-N 426.477 1.943 30 10 IDEE Cc1ccc(CN(CCO)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 478419357 XAWLIXDNPAKWRU-UHFFFAOYSA-N 431.514 1.882 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)Cc2ccco2)cc1 499119161 SOYMXUZPWXCUIR-SFHVURJKSA-N 449.554 1.918 30 10 IDEE CC(C)C(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 503171038 RKDCFXPESLDNEB-UHFFFAOYSA-N 440.504 1.255 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508851316 YWKGOUNALZKPOI-AWEZNQCLSA-N 438.579 1.295 30 10 IDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1CCC#N 540815176 CWOLMDNKUQESQN-UHFFFAOYSA-N 427.490 1.515 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 549485848 GPWRZNCNPJBGHT-JKSUJKDBSA-N 435.488 1.583 30 10 IDEE Cc1nsc(N2CCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)CC2)c1C#N 582151470 ZVRCVVSPWHSDHJ-UHFFFAOYSA-N 438.556 1.164 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 604103773 RWKAUXSGVGBZCO-UHFFFAOYSA-N 428.518 1.436 30 10 IDEE C[C@H](O)C[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)[C@@H](C)[C@H]3[C@]2(C(=O)CO)O1 605697193 NIMUEYMAOQKMLR-USRJTTPDSA-N 446.540 1.544 30 10 IDEE in-vitro Cc1nc([C@H]2COCCN2CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)no1 611533481 GFWRTAMMPZNPOF-RTBURBONSA-N 428.468 1.300 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 670197720 UZDJFHGTBJXKET-IEBWSBKVSA-N 431.585 1.371 30 10 IDEE C(#CCN1CCC(c2nnc3n2CCC3)CC1)CN1CCC(c2nnc3n2CCC3)CC1 671240762 RLJBXZPXHBYTPX-UHFFFAOYSA-N 434.592 1.824 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(Cl)cc1 727416482 ROCPUYDMGNDIEL-UHFFFAOYSA-N 429.885 1.411 30 10 IDEE C#CCN(C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 729335367 MNIXQFYMERHADT-LJQANCHMSA-N 432.542 1.343 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@H]1CCCO1 730138813 NGWZEHXTFALCRX-MAUKXSAKSA-N 434.562 1.874 30 10 IDEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)S/C2=N/CCc2ccccn2)no1 730144286 JFTBGRIJFVQGQR-JQBIEYAESA-N 444.561 1.489 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 742662462 AJORHRZETYJVIK-NIGUIEARSA-N 426.502 1.550 30 10 IDEE CC[C@@H](CO)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 754435457 CSVOFPPKXPDCTD-UBZKEQBWSA-N 437.566 1.420 30 10 IDEE C#CCN(Cc1ccc(OCCN2CCOCC2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 768932043 LQEOEWKJSVFLDL-GOSISDBHSA-N 426.966 1.673 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)C1=O 771446674 MTMFDNJZHQOUAB-SZNDQCEHSA-N 430.461 1.074 30 10 IDEE CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C1(C#N)CCC1 781800197 GBLSQDSMAMPNKZ-UHFFFAOYSA-N 442.335 1.988 30 10 IDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2CCCN(C)S(C)(=O)=O)c1 803196404 GFBPWCPQUUJJDL-UHFFFAOYSA-N 430.559 1.840 30 10 IDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1 807932815 KMCUFLZOQFWTEN-SFHVURJKSA-N 443.577 1.577 30 10 IDEE C#CCN(c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C)[C@H]1CCS(=O)(=O)C1 809868308 FKRUITUITACPNR-HNNXBMFYSA-N 440.529 1.229 30 10 IDEE CC(C)CN(C(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 850704187 UAILJVHQJPAGJU-NAQJVLLRSA-N 430.592 1.690 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccccc1C#N 917799066 KLQYEIBKDPPZRL-UHFFFAOYSA-N 433.518 1.341 30 10 IDEE CCN(CC)C(=O)CN1C(=O)C(=NNS(=O)(=O)Cc2ccccc2)c2ccccc21 1084626669 KBHSDQXZYRROFX-UHFFFAOYSA-N 428.514 1.725 30 10 IDEE COC(=O)c1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)sc2c1CCOC2 1129887048 HUVVYBSBQDMXST-UHFFFAOYSA-N 435.483 1.285 30 10 IDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1132451695 IPMYUPIOQZJHPP-GOSISDBHSA-N 435.502 1.348 30 10 IDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CN(C)CCN1C 1147353490 XMENOLVENGSZFS-FUHWJXTLSA-N 435.594 1.036 30 10 IDEE C[C@H](CC(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1163014500 PTYQKVBXTOFXSG-POAQFYNOSA-N 440.569 1.965 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1)c1cc[nH]n1 1165606977 UAUTUHHJNXOKPC-SFHVURJKSA-N 427.505 1.469 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1177759234 MNHKIERNEJSYQJ-ROUUACIJSA-N 439.965 1.087 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)s1 1178596998 ACQUIYLFMHWSRE-USXIJHARSA-N 444.575 1.176 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc1 1198250418 DAWFSOAHQXMAQM-SFHVURJKSA-N 441.575 1.924 30 10 IDEE COCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 1264288945 BCTMFOXDIWHDLA-ZBFHGGJFSA-N 439.921 1.227 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1286298456 JYBHBVPALZMCOV-CQBQZOKZSA-N 431.581 1.900 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286302078 JPMUZZQONBAKGU-JKSUJKDBSA-N 442.486 1.512 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1286397154 MDCLPPFXQOBSLH-NVXWUHKLSA-N 434.591 1.326 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCCCO2 1286468695 GIESTWGNRLXKCY-UHFFFAOYSA-N 439.516 1.696 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCSC2(C)C)CC1 1286490492 MBXQYGRJVXTDBB-IAGOWNOFSA-N 444.605 1.727 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1286505317 XHTDTKCCWMCIFQ-UHFFFAOYSA-N 439.563 1.243 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1286582456 YTTGKEYDXQXWHJ-GOSISDBHSA-N 434.566 1.651 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286612004 UVNWWDQMFFXLSR-LJQANCHMSA-N 443.552 1.788 30 10 IDEE C=CCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286777785 LPEOYQHZUYNICR-IBGZPJMESA-N 427.571 1.365 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286784272 BWDALVXPYOAENL-FQEVSTJZSA-N 446.515 1.913 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1288997799 UMSQQRFYJSRQOI-XMSQKQJNSA-N 440.504 1.236 30 10 IDEE C=C(CCN(C)C)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1299351466 QJJYCFAGRSLOMQ-OALUTQOASA-N 449.596 1.889 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c(F)c1 1300208199 CPLBHGCAASZVMX-KUHUBIRLSA-N 437.472 1.818 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1300429043 YXOFUKVFEGZONL-UHFFFAOYSA-N 426.496 1.608 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1C 1300528016 OBSPBTWVUYVGLB-UHFFFAOYSA-N 436.545 1.401 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1300554866 KSOGLEYQCDBNIE-SFHVURJKSA-N 428.500 1.847 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1300643602 SACWGEUTIMSALQ-OAHLLOKOSA-N 445.524 1.449 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1300647632 HHHVNPVFPDNTMK-UHFFFAOYSA-N 437.479 1.316 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)n2)CC1 1300700933 YXLMMPVXKPOKLO-LJQANCHMSA-N 442.589 1.272 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](CC)OC)CC1 1300717109 YQCYZDQBVBSMKI-PGRDOPGGSA-N 433.553 1.321 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300754716 FTCYFBZCBDPNHM-QGZVFWFLSA-N 444.609 1.082 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301505819 BHMRFTSYGWHWMG-IBGZPJMESA-N 439.564 1.555 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301514080 DQVFVADQPKBRCC-QGZVFWFLSA-N 447.561 1.345 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1301794477 GSFCVBWMVOLQQZ-JXFKEZNVSA-N 446.508 1.629 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCOCC2)CCOC1 1303503296 CDWWGPUYRRJLLI-PGRDOPGGSA-N 448.568 1.158 30 10 IDEE CCCS(=O)(=O)N1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1303876465 DZXXFDPOQAHZSW-INIZCTEOSA-N 430.571 1.894 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1306422349 WXGPGTARPJRDQY-MYDZZUQKSA-N 425.493 1.803 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1306628793 HAQCNVJIWUAEBE-YUMLTWSLSA-N 430.509 1.314 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 1309437160 PCVDIMOKHDETMP-UHFFFAOYSA-N 445.541 1.100 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1314567265 ITZIZANMDBJQKQ-PRAQEBQASA-N 428.518 1.616 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC#N)CC1 1315069522 XXBDQXZTZHGWOZ-UHFFFAOYSA-N 438.504 1.826 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1316363181 WSJHAUQHNXLJKM-FGTMMUONSA-N 430.534 1.422 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358892734 GCBGHINKEUZPRC-DFQSSKMNSA-N 442.589 1.926 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359057157 UDAMVSOELRSWBN-QZTJIDSGSA-N 432.594 1.731 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1359060713 GBVRUXOXKFQPEO-IBGZPJMESA-N 427.530 1.947 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCCS(C)(=O)=O 1359283760 RFOIJKIFDDYUMP-UHFFFAOYSA-N 440.595 1.604 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1359300524 DVMAWCYQSAKFFY-OAGGEKHMSA-N 441.623 1.593 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1359322128 QBRCQRBNKGMBNX-BBWFWOEESA-N 445.486 1.826 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1359472724 PMQKBAFAAXGJBF-CVEARBPZSA-N 437.504 1.593 30 10 IDEE Cc1cc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c(C)c1 1361010339 BEWWLHVYZQSJDM-ZWKOTPCHSA-N 429.546 1.883 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1450157148 MDTQOZRGCUFGCU-SMDDNHRTSA-N 428.258 1.547 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1456617661 OSJKLAGQAKCNLH-AUSJPIAWSA-N 434.493 1.466 30 10 IDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C1CCOCC1 1461708012 ATTFHEOJEZBEAD-SFHVURJKSA-N 426.485 1.910 30 10 IDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1466318223 SKPMPBHIXLELGQ-AEFFLSMTSA-N 445.321 1.861 30 10 IDEE C[C@@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1466608570 BMZIZWZVEJYHCQ-QFBILLFUSA-N 442.516 1.926 30 10 IDEE Cc1c(NC(=O)CSCC(=O)NCC2(C#N)CCC2)c(=O)n(-c2ccccc2)n1C 1469111728 GCERHKFMZNFVGA-UHFFFAOYSA-N 427.530 1.966 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)ccc21 1471085012 YSSUVWKARYFPHF-XMMPIXPASA-N 431.496 1.804 30 10 IDEE COC(=O)N(C)CCN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1473656641 QUNUEDBNEGXTOD-MRXNPFEDSA-N 431.537 1.986 30 10 IDEE C#CCC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 1473748384 YDVBMTAFBQUTPM-UHFFFAOYSA-N 449.573 1.659 30 10 IDEE N#CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1473889171 QUGNOXMPTXHYSC-JZXOWHBKSA-N 432.464 1.934 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)CC1 1476480849 ARLJXBDQNWZQRP-UHFFFAOYSA-N 427.505 1.392 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1502424232 BQMIUAVYGPSGEH-UHFFFAOYSA-N 436.564 1.171 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOCC1(C)C 1507541813 ILGVIZIPLBKXTA-INIZCTEOSA-N 430.578 1.838 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2snnc2C)c1 1507549963 RJFAAFKTZMNRRF-UHFFFAOYSA-N 447.528 1.943 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1507620362 PQTPBPZMGIBEAH-UHFFFAOYSA-N 433.603 1.625 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1507643834 ZNACNPNUTZNJNX-INIZCTEOSA-N 443.529 1.171 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1507677623 DEXRDALUWDFSHQ-UHFFFAOYSA-N 449.490 1.883 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1507721930 VJJRGBWUYJUSGR-HXUWFJFHSA-N 438.576 1.677 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507754422 XMXQYCHRMAANDU-HNNXBMFYSA-N 444.586 1.447 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507844408 JLOLRTFZHNGVFH-QGZVFWFLSA-N 427.571 1.140 30 10 IDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1507852464 USNCMCJSMRSWCP-FGTMMUONSA-N 425.489 1.303 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@H]1C(C)C 1507983610 QWCSHNOAKLHUIY-SQNIBIBYSA-N 441.598 1.684 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1508007488 CEIQWIZFMRQKDI-KRWDZBQOSA-N 449.552 1.990 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1508094163 ZRHUKTNEUSJHCF-GJZGRUSLSA-N 432.550 1.576 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1508125991 QDNMVIWHXPVXHG-QZTJIDSGSA-N 447.561 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1508137608 OGAONCFSQOUUFT-HUUCEWRRSA-N 441.579 1.199 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1508139748 DIQYYRBBIYLIPW-IRXDYDNUSA-N 434.566 1.500 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC(N)=O)CC1 1508142991 VUEGBSVNFKOWHV-MRXNPFEDSA-N 425.555 1.212 30 10 IDEE CCN(C)C(=O)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1515312231 GVBUFYBLQYQZPK-OAHLLOKOSA-N 425.541 1.431 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1516961588 AZIFLMMEEVWTLJ-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C=CCn1cc(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)nn1 1525617810 WNHCUKPTOUUTOM-UHFFFAOYSA-N 428.312 1.243 30 10 IDEE Cc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1S(=O)(=O)N(C)C 1538484308 JOUSNGRACZCJJO-UHFFFAOYSA-N 439.490 1.934 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539089750 QPDCENYKZUZKBK-IBGZPJMESA-N 437.548 1.887 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1539201958 DCMHMFQHWDIIIQ-DLBZAZTESA-N 437.610 1.755 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1539224838 IYKLZHSFMBCSRP-MRXNPFEDSA-N 431.543 1.902 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1539299619 LBTLLNSPHRGDIN-XUZZJYLKSA-N 443.592 1.894 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1539409358 YEGAXAYGEUTRBE-OAHLLOKOSA-N 449.533 1.059 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCn2cc(C)cn2)CC1 1539441534 SGTRESRLQXCARD-UHFFFAOYSA-N 435.532 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC2CCOCC2)CC1 1539476936 HQBZDHYTELRWEK-LJQANCHMSA-N 442.564 1.402 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1547783668 FDZPHNJJKXNIHF-GOSISDBHSA-N 441.517 1.295 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1554796993 RBXRPZMYGAAFSR-LPHOPBHVSA-N 429.477 1.497 30 10 IDEE C=CC(C)(C)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1556592979 KYGKHBLDFJANCD-UHFFFAOYSA-N 437.562 1.637 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@](O)(/C=C\OCC)C(F)(F)F)ccc1F 1556795365 YDEQJPABEXUALB-GQSKFBFOSA-N 440.415 1.863 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)cc1 1567424829 PDGULQRCJRDAQS-UHFFFAOYSA-N 427.511 1.384 30 10 IDEE CN(C)C(=O)O[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1569298974 PEKGDTPJUWQZTN-IAGOWNOFSA-N 427.461 1.452 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1585483872 HRDXAPXQCIRJSJ-UHFFFAOYSA-N 429.521 1.569 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1587554903 AAMXMKZFXCLXEM-QZTJIDSGSA-N 425.537 1.740 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1588138484 DQSIQWQKSZBUGV-FNUUXAGOSA-N 439.541 1.397 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1588139213 NPBTVMPZEHTKDQ-CQSZACIVSA-N 448.346 1.459 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1588180373 DGOXTYASVIBMFA-GOSISDBHSA-N 443.573 1.911 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](F)COC)CC1 1588899206 MRBYCOOHNJYUDU-QGZVFWFLSA-N 444.467 1.804 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1593625333 QJGNFDUZRACPGZ-MSOLQXFVSA-N 429.569 1.328 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1595522261 AVMLWKBLDCDBNS-AEFFLSMTSA-N 441.536 1.010 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCc1cnccn1 1595551774 UWXAYXYVZYTKGI-IBGZPJMESA-N 435.488 1.562 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(O)c2)C1 1595723146 RZCYVDBQJOIWID-IRXDYDNUSA-N 448.545 1.724 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC)[C@@H](C)C1 1595776733 DSQWDLPJBBTLDB-KRWDZBQOSA-N 428.562 1.948 30 10 IDEE CN(CC#N)C(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1598388210 OWQUUUABEQBKPU-UHFFFAOYSA-N 445.261 1.944 30 10 IDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1611879037 HJZBADVXAJSPFD-UHFFFAOYSA-N 432.535 1.010 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1612134744 XJFQSIGHAYVATI-LJQANCHMSA-N 436.513 1.547 30 10 IDEE CCCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1614978264 FYIVXLNFORQQDH-CYBMUJFWSA-N 433.310 1.963 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1617368208 LRSMLNJGYUZLRP-INIZCTEOSA-N 438.941 1.657 30 10 IDEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CCCn1cnnn1 1618051780 HNEFRROTXPPOJV-UHFFFAOYSA-N 425.472 1.990 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@H](c2ccncc2)C1 1627809247 YRMRRLRJWPDTJO-SJLPKXTDSA-N 428.514 1.937 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C2 1632704211 XLHVLQUGUVQTTH-GOSISDBHSA-N 445.566 1.910 30 10 IDEE C#CCN1CCCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 1634015771 FMRQWGFVIVFDQJ-UHFFFAOYSA-N 436.257 1.048 30 10 IDEE CN1C[C@@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](c2ccccc2)C1 1638865873 CULKSABETCDHSJ-QUCCMNQESA-N 440.569 1.967 30 10 IDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCc2c(sc(N)c2C#N)C1 1639992917 IUINHPZVUUMIGW-QGZVFWFLSA-N 426.420 1.718 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1648791101 GQXWRUFOMNSXMA-CQSZACIVSA-N 433.324 1.742 30 10 IDEE N#Cc1cn(CCNC(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCC3)c(=O)nc1O 1649428044 UZAFNHXOTATHNJ-IBGZPJMESA-N 436.516 1.422 30 10 IDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651223732 SBPBHCIKHRQUFT-KRWDZBQOSA-N 448.520 1.736 30 10 IDEE C[C@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)N1C(=O)NC2(CCCC2)C1=O 1654811612 KDYXRKKHSXPLGJ-CYBMUJFWSA-N 428.445 1.144 30 10 IDEE N#Cc1ccc([C@H](C(N)=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1655255369 BWICKKHBXJKKNZ-OAHLLOKOSA-N 448.268 1.301 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 1656293444 MWUKFUOPYXHFLI-QHCPKHFHSA-N 425.485 1.917 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C#N)C1 1660309423 DTBKBGUXRUOGEI-CKNLXJGOSA-N 432.571 1.943 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 1670642629 FPFWTKCLPACRDD-UHFFFAOYSA-N 440.485 1.363 30 10 IDEE C#CCC1(O)CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1680853146 JYXKHLWHGLGTBF-IBGZPJMESA-N 431.508 1.403 30 10 IDEE C#CC[C@H](COC)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1686255703 SEUWGIYQGAUFOW-CABCVRRESA-N 436.475 1.808 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1689833174 DYZFHZNRSYMLRB-DFFLPILJSA-N 430.505 1.969 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCSCCCO 1689847461 ZZKXDWOZLGBHSZ-OAHLLOKOSA-N 436.607 1.812 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)CC2)c1 1689868921 VGEUDVJJDPTWNK-OAHLLOKOSA-N 444.561 1.745 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 1689930229 NDYVAVJBIDPYSO-IBGZPJMESA-N 431.562 1.969 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689991289 ZJEBCNBIOSDPLQ-ZCNNSNEGSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1690046722 GDDUULRQAQZDOK-KRWDZBQOSA-N 442.541 1.709 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690299432 RBSXONWFJLAQHO-AVRDEDQJSA-N 433.553 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690666255 XUUNBEWCWGKUKA-QGZVFWFLSA-N 442.520 1.971 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 1690673049 MQDQHVQYZDBQBD-UHFFFAOYSA-N 428.512 1.663 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1690675253 UCZLZLILHFBSPG-GOSISDBHSA-N 429.569 1.015 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1692605451 KLVLJXJJKZXFHW-AUSIDOKSSA-N 438.532 1.925 30 10 IDEE CC(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692620789 UZOAIGYLDQXOJB-AWEZNQCLSA-N 446.533 1.140 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1705494497 AVCURIZOVSRXNC-LPHOPBHVSA-N 447.561 1.920 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1NC(=O)CC1(C)C 1705547008 PORXEHCSGACBFB-OAHLLOKOSA-N 443.577 1.531 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705569790 JTWPXOJUJWLZSV-ZCNNSNEGSA-N 443.573 1.706 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(C)=O)CC1 1705631009 ODABSWKRQNDPHY-PMACEKPBSA-N 433.553 1.347 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705639368 MOGMWPHYVAFPAJ-LJQANCHMSA-N 428.581 1.924 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1705641978 AWZCCWICNPYWPS-UHFFFAOYSA-N 430.516 1.574 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1705709007 JXIUVBMUKFLLHW-IERDGZPVSA-N 427.505 1.783 30 10 IDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705751125 ALRQNFZHGLPNOA-UHFFFAOYSA-N 442.973 1.903 30 10 IDEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1705824424 PPEIXBBYPVUARW-KKSFZXQISA-N 432.525 1.369 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1705843314 BVIPFZXBHUDGPI-KRWDZBQOSA-N 438.573 1.787 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1705905214 NYWTXMZAGSUKSS-UHFFFAOYSA-N 446.502 1.754 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1705908116 IKVSSDMUHDKHSN-GOSISDBHSA-N 438.532 1.533 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)C)CC1 1705937765 DIBNCCSTQBQGEQ-UHFFFAOYSA-N 449.625 1.661 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1706670813 MLQPXYWOOSDFGV-LEWJYISDSA-N 428.493 1.533 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1Cc1ccc(C#N)o1 1706882896 ZBZLSYAVFNSOHY-GUYCJALGSA-N 444.521 1.476 30 10 IDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)c(=O)n1C 1707494778 BEATZUSVZHNBAT-UHFFFAOYSA-N 445.527 1.964 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1711448559 SQEKAGPAEDNXFS-ZPHPHTNESA-N 439.476 1.189 30 10 IDEE COCc1nocc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1712228215 WDYJBXXSYAPOJU-UGSOOPFHSA-N 437.526 1.201 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1712876463 XXJSMHJEYLVTDQ-KPZWWZAWSA-N 432.847 1.424 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@@H]2CCOC2)CCO1 1712886051 HBQUZUOBYMOLPV-CVEARBPZSA-N 446.533 1.194 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1722297387 ZPUDWSKLWIXQSI-IEBWSBKVSA-N 431.562 1.620 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC2CCCC2)c1 1722343862 FIRZKHSRAVFKGX-OAHLLOKOSA-N 432.550 1.722 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)OCCO2 1722387647 ONMWSRQTHTXDEG-UHFFFAOYSA-N 433.512 1.991 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722464526 IZUZBCOYZRAJGM-SCTDSRPQSA-N 433.578 1.570 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1722680795 AGDZCHVPXUSXRF-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCSC2(CCOCC2)C1 1722729037 WCDSAWONUQEMKK-MRXNPFEDSA-N 442.607 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C)(COC)CC1 1722730584 WURWKKLABDHUIC-UHFFFAOYSA-N 439.582 1.254 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1722869758 RDHXDCNQIYPLEX-HZPDHXFCSA-N 425.555 1.362 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1723075473 UGIYBLUBZAJVBX-HSZRJFAPSA-N 435.532 1.838 30 10 IDEE CC1(C)C[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1724018841 BUISDMWZCWLOQR-HBUWYVDXSA-N 426.518 1.099 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1729692112 FONNOHPYDSGBHB-MWTRTKDXSA-N 438.532 1.709 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740593643 LLZRCZYFLRQSPD-FQEVSTJZSA-N 435.576 1.810 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1CCCO 1740650610 HILVDQGBOMJNNF-HXUWFJFHSA-N 435.528 1.984 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1740661777 JMMOYDPMISTDJF-QGZVFWFLSA-N 430.578 1.801 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1740693433 YEQSBLDFSPRCDK-NZQKXSOJSA-N 432.613 1.662 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2(COC)CCC2)CC1 1740703876 CNMYTIUJAPMMSJ-UHFFFAOYSA-N 439.564 1.851 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nccn2C(F)F)CC1 1740705940 OKGAVSDGSNZIMI-MRXNPFEDSA-N 447.490 1.778 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cnn(C)c2)CC1 1740708521 SCUOSRPTBZWTEU-UHFFFAOYSA-N 431.544 1.811 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1740792317 HNMNFFASIIJFEI-QGZVFWFLSA-N 431.566 1.601 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccccn2)CC1 1740955016 VNWGRELALZSYFD-UHFFFAOYSA-N 448.487 1.877 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740965128 DHNKDBYAUVXJGJ-YBOAYWMSSA-N 430.553 1.358 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCn2nc(C)nc2C1 1740987175 BOOYSFCJCUSXNF-UHFFFAOYSA-N 443.533 1.475 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1741128590 YVAKFLZOTKYZDL-JSGCOSHPSA-N 425.449 1.258 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748002313 UGVGHUIIUOAWBH-SJTPKYKMSA-N 430.509 1.314 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1748092512 BHPVRGGHPDGLIT-OAQYLSRUSA-N 425.468 1.943 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817074 DRUKCXBYRRMZSZ-SFGWALBWSA-N 444.557 1.316 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749115787 VYOLXUDBYZXDMM-ULQDDVLXSA-N 445.524 1.667 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749772053 DDSMHMJPFUOIGI-SFTDATJTSA-N 440.548 1.779 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1750389436 ZTWLVBWZSHUZAF-ZIAGYGMSSA-N 437.472 1.311 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760156055 SNGGNMCLJAPBNF-LJQANCHMSA-N 436.541 1.557 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1760172979 FNEDZUBZPSNLFF-AWEZNQCLSA-N 434.518 1.475 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCC=C)CC1 1760265213 RXGCEUVKFPOEFF-UHFFFAOYSA-N 428.537 1.073 30 10 IDEE C#CCSCCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1760286618 PMZREZYGHAXADS-NQIIRXRSSA-N 435.594 1.601 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760351719 KQINMBZFTLZOCB-QGZVFWFLSA-N 433.557 1.345 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)cs2)CC1 1760389955 XPHIRNZBXPQVCL-HNNXBMFYSA-N 438.579 1.581 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CCN1CCCS1(=O)=O 1760500925 CVSNGTUHTXIJKY-KRWDZBQOSA-N 435.550 1.646 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3OCO[C@@H]3C2)cc1 1760531001 ZLDRKKHVIBFWAO-JCGIZDLHSA-N 449.533 1.063 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1760554272 XSZREOYODHKYGA-OAHLLOKOSA-N 436.538 1.841 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C(C)C 1761251656 DMZBGHWSQFQXRO-UHFFFAOYSA-N 425.537 1.940 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)CCOC1 1761273387 BFFSBBHPXSMJGH-VQIMIIECSA-N 440.570 1.093 30 10 IDEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1762352720 ZXZDENLGLXPHFU-GOSISDBHSA-N 431.566 1.906 30 10 IDEE CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1764570812 CPUUUWGQCVZXKL-IBGZPJMESA-N 432.488 1.711 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1765436201 CUQAOTPPXIOWQC-SFTDATJTSA-N 437.548 1.642 30 10 IDEE COC[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1770952112 ZBTTUVIQKHDYEH-IGGDJGDASA-N 430.509 1.314 30 10 IDEE C=CCN1C[C@@H](C(=O)OCCn2ncc3c(=O)n(CCc4ccccc4)cnc32)CC1=O 1849568899 CNUVCDIUDPJILG-SFHVURJKSA-N 435.484 1.413 30 10 IDEE C=CCN1C[C@H](C(=O)N[C@@H](C(=O)OC)c2ccccc2I)CC1=O 1850738423 GUNIRMKIWKHHII-IAQYHMDHSA-N 442.253 1.656 30 10 IDEE NC(=NOCCC(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)c1ccc(Cl)cc1 1853417326 YJYHUESJPHNZOX-UHFFFAOYSA-N 442.903 1.807 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)n(C)n2)C1=O 1854192568 AOXMLZJIGGBSES-HZPDHXFCSA-N 427.530 1.608 30 10 IDEE COC(F)(F)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1854886528 DMCLHVVZJIAZLK-OAHLLOKOSA-N 427.429 1.798 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1 1856397890 NRPWPGCYVLZFBD-RDJZCZTQSA-N 436.509 1.342 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cccc(F)c1 1857093016 IQDKLAPFJOUSRG-OAHLLOKOSA-N 429.473 1.829 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)CC1 1857294892 CPXYLVDDHAFVOC-SJLPKXTDSA-N 436.578 1.049 30 10 IDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 1866627953 XZHSUZHAXHTQSX-LJQANCHMSA-N 442.497 1.218 30 10 IDEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155226 CHSLIYYNPOQLMW-UHFFFAOYSA-N 445.395 1.844 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873561213 UDZQAQUTSBKTJS-ROUUACIJSA-N 426.565 1.850 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc2c(c1)OCCO2 1874435416 FTYVHLGPTZKEPC-UFFVCSGVSA-N 433.490 1.613 30 10 IDEE Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1 1889648133 JDTGCUOZQFGPPN-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE C#CCO[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)OC)cc2)C1 1892164327 IHNRGLJRCRQEDR-HKUYNNGSSA-N 449.529 1.659 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2124540563 JFCKGSFDBASIGE-UHFFFAOYSA-N 446.353 1.938 30 10 IDEE N#Cc1cc(Br)ccc1CN1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2174571188 POIHZFISUAGDTC-DGCLKSJQSA-N 433.228 1.675 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCc1cccc(C#CCO)c1 2178290968 DBCQAVOLJUSMPE-UHFFFAOYSA-N 426.494 1.179 30 10 IDEE C[C@H](NC(=O)OCc1ccccc1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2241554529 DIXOJHKBQUXRTJ-LBPRGKRZSA-N 432.311 1.513 30 10 IDEE COCCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247952272 MCKPDDGSDJAROI-UHFFFAOYSA-N 435.355 1.557 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2248487049 QQHXVUXWUBSPJG-GFCCVEGCSA-N 439.343 2.000 30 10 IDEE Cn1ncc(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2255544557 BGDLGCFPPWQRIT-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)n1 2255659153 OATRRXUWAVBFRH-UHFFFAOYSA-N 435.334 1.101 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255807426 UCFJHCSNIHYNMG-CQSZACIVSA-N 438.330 1.879 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2256928825 LNYOIICGNNGSFA-SFHVURJKSA-N 426.278 1.781 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510185 HAUXTPCVVJOFRC-CABCVRRESA-N 448.373 1.952 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267870876 JEGANPYYPPCHJL-CABCVRRESA-N 444.341 1.857 30 10 IDEE CC(C)(C)CN(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270537633 NJZLSHXATGXNGI-MRXNPFEDSA-N 425.507 1.958 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C#N)cc1F)NC(=O)OCc1ccccc1 2286032301 BZMPOUSFTXRFAR-QGZVFWFLSA-N 435.433 1.907 30 10 IDEE N#Cc1ccc2c(c1)N(S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)CC2 2286048172 HFNVGSURMXLQBZ-KRWDZBQOSA-N 429.454 1.630 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2290348265 QHQKYPXIQJSZAT-HNNXBMFYSA-N 441.322 1.358 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN2C(=O)OC(C)(C)C)C1 2315534292 RNEFVDDHXMSKSU-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 59311960 RPLUUVRNAMIHLV-IFRROFPPSA-N 428.478 1.604 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)NCc3ccc(C)cc3)o2)c1=O 101350936 BLLQBGZGFBWBSR-UHFFFAOYSA-N 441.513 1.722 30 10 IDEE C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@H]12 267326326 JIEVJXRUYDZFTD-MKTSPKNASA-N 448.468 1.945 30 10 IDEE biogenic Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2CCN2CCOCC2)cc1 462430338 SMXURIJOXSUVRK-UHFFFAOYSA-N 449.532 1.529 30 10 IDEE CC[C@@H](CO)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 464768642 IDLILXMSLBKHAQ-RBUKOAKNSA-N 443.592 1.745 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c2C)nn1 465257248 JKPBZRHXVOEBCR-AWEZNQCLSA-N 433.476 1.382 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 479346657 JQNAMYLCWJTHIT-AZUAARDMSA-N 435.532 1.724 30 10 IDEE CC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@@]2(CCOC2)O1 483190218 CWWCEWKMTJXCSP-MQSCRBSSSA-N 430.524 1.804 30 10 IDEE COc1cccc([C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCO2)c1 484821857 OFHMAFOQBMHMGO-YWZLYKJASA-N 429.498 1.834 30 10 IDEE CCC(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 603933631 FDBKIFFAROQAFH-QGZVFWFLSA-N 438.575 1.039 30 10 IDEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC1CC1 730143947 XUXSKJVEULDXCT-KRWDZBQOSA-N 445.589 1.581 30 10 IDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 731475714 LRPMALHGODGBNK-GOSISDBHSA-N 442.541 1.321 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)CCN1C1CC1 732708952 WWRQHJFDXJNNGP-HNNXBMFYSA-N 443.305 1.772 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)cn1 735067865 ANYKOFNHIVBSFN-UHFFFAOYSA-N 446.536 1.405 30 10 IDEE COC(=O)[C@@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1ccc(C#N)cc1 740239978 ZVWTWYUMBIMIDO-RTWAWAEBSA-N 447.447 1.791 30 10 IDEE N#CCCNC(=O)COC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 753833721 GOIWJRSISJCVAU-UHFFFAOYSA-N 427.910 1.894 30 10 IDEE CN1CCN(c2ccc(-c3noc(C/N=C4/NS(=O)(=O)c5ccccc54)n3)cn2)CC1 761492410 CUFRJMGCOZFCPD-UHFFFAOYSA-N 439.501 1.122 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(OCCOc3ccccc3)cc2)CC1 765783881 RVFICDGUZUJCNU-UHFFFAOYSA-N 449.551 1.971 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 784125297 IQSNTLKQQKBQKO-LJQANCHMSA-N 430.574 1.953 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CSCc2cc(=O)n3ccsc3n2)n1 790109350 XMUKUKMMQVVDEB-UHFFFAOYSA-N 431.543 1.494 30 10 IDEE C=CC[C@@H](CC)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 798496002 SSRDKAKKXHOUBT-MRXNPFEDSA-N 443.591 1.769 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)ccc2c1=O 800668124 SOPJMSWRQYNXME-DZGCQCFKSA-N 436.559 1.319 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1cnnn1C 807929531 KNMHWCZLUGZOMH-SFHVURJKSA-N 443.577 1.713 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCCF)C1=O 812220956 AXGBOCFFVHFBGE-NNLSSIJJSA-N 430.527 1.020 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccc2Cl)C[C@@H](C)O1 1134267742 GLYCZSOUPZMJKH-KSMMKXTCSA-N 441.937 1.893 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCC[C@H]3N3CCC(O)CC3)C2=O)cc1 1152693323 GYFQDKLFHMDASW-VAMGGRTRSA-N 439.516 1.257 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)[C@H]1c1ccnn1C 1156253662 GJNQTAKNKDPZKV-DQLDELGASA-N 437.504 1.078 30 10 IDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(O)C2=O)ccc1Br 1159641079 BOYWTNFLJWWTGH-GFCCVEGCSA-N 448.339 1.636 30 10 IDEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c([N+](=O)[O-])s1 1184767125 LOKMKTVMUVTBOM-UHFFFAOYSA-N 433.471 1.533 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 1264318236 KWHGIPAFHOQQMY-IBGZPJMESA-N 437.500 1.624 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286336379 KFVFNPSUDWUHMM-IBGZPJMESA-N 426.565 1.947 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286389925 SYLKCTOJTHZNOA-FUHWJXTLSA-N 445.520 1.238 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286407993 YFWXGXDCKUKUKU-FGZHOGPDSA-N 446.555 1.684 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1286437418 GKKUHHITPVPKIX-UHFFFAOYSA-N 443.451 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCOC)CC1 1286488441 NQFUPJFKWZTJQA-QFIPXVFZSA-N 433.553 1.321 30 10 IDEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1286509266 XMFCYBAICRVJOL-IBGZPJMESA-N 438.557 1.668 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1CCN(CCN(C)C)CC1 1286527788 IZZMDWUAJJFDSK-XMMPIXPASA-N 441.624 1.666 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1OC 1286718474 KXNJTAGENQYGMI-IEBWSBKVSA-N 449.577 1.869 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1)C1CC1 1286731843 GJQHNMHFYGXQOU-AWEZNQCLSA-N 429.612 1.955 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)cc1 1286797626 XWBCUKNIWLPPCZ-KRWDZBQOSA-N 433.534 1.323 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286807061 IVGCFZOOGOUUOP-PKOBYXMFSA-N 431.562 1.870 30 10 IDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1292208242 BBTQXURDWBBCPF-BZUAXINKSA-N 439.524 1.031 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCn2ccnc2C)CCO1 1299137610 JYTKJHSVNUDUQX-HXUWFJFHSA-N 448.531 1.753 30 10 IDEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1300300875 UZEUXNWVRFJWGC-LMMKCTJWSA-N 443.500 1.775 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300358201 MHMVBUNRVOUYSK-UHFFFAOYSA-N 430.520 1.779 30 10 IDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300399470 MONPJKOLEYLAQW-UHFFFAOYSA-N 440.529 1.999 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@]1(O)CCS(=O)(=O)C1 1300430961 QYVLIKJVFLSXKA-DYESRHJHSA-N 432.546 1.654 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300497367 YLTFILMHSKQDPM-DLBZAZTESA-N 448.520 1.605 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCCC 1300527110 BMIKLMKRRDRFQW-UHFFFAOYSA-N 431.500 1.274 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(O)CCN(C(C)C)CC1 1300673167 GOFVEJKTLAMJDC-UHFFFAOYSA-N 426.565 1.585 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300863697 RUVAHFWIXDPCTN-CHWSQXEVSA-N 439.314 1.511 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301170208 PONIJJNMAZHLCA-UHFFFAOYSA-N 429.525 1.391 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1301579134 NYMBLJODOSHWFD-CQSZACIVSA-N 446.499 1.947 30 10 IDEE C=CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1301597605 UGPJSQGDFLVSNT-UHFFFAOYSA-N 425.356 1.902 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 1301614708 WLPGZLPBYHQYKK-SJORKVTESA-N 437.537 1.733 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1301965260 IFWIPHQCBCDYKH-ZIAGYGMSSA-N 434.522 1.569 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1302005065 XUVZMIIGRSEEKB-GJZGRUSLSA-N 433.534 1.511 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1302596193 HBGWTDCRBIJETG-FQEVSTJZSA-N 432.546 1.490 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1303488551 DKIDZODWPJTYJC-BTYIYWSLSA-N 428.493 1.499 30 10 IDEE Cc1nccn1CCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1304707657 NRCVMMUWXQNETA-GHTZIAJQSA-N 429.525 1.643 30 10 IDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CSC1 1307918265 IXZQMMHPCNWBTD-UHFFFAOYSA-N 443.978 1.350 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCC(CC#N)CC1 1314556334 HZILEILPKIKAAR-UHFFFAOYSA-N 437.595 1.703 30 10 IDEE CN(C)C(=O)Nc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1314646323 AFLBGZCDOYXYFP-QGZVFWFLSA-N 433.476 1.606 30 10 IDEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1314721298 GLFXNZBEWNFUMT-UHFFFAOYSA-N 446.455 1.619 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1314983946 ATHGCYLHUNXVQZ-AOMKIAJQSA-N 442.520 1.794 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1358898100 MEHXAJNDJFDSNU-GOSISDBHSA-N 435.532 1.351 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1358960491 FWSBBZIFOBDTNJ-QGZVFWFLSA-N 436.607 1.839 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358985879 JIITWCBFJBBRJQ-DNQXCXABSA-N 439.560 1.793 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1359000326 ROVMLJJIQPTVFL-QGZVFWFLSA-N 445.593 1.700 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1359020497 FOMTWKOYQJYTOW-UHFFFAOYSA-N 427.896 1.896 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1359033688 MJDWSZWPQALMAT-UHFFFAOYSA-N 425.537 1.962 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359132252 RMJMOXZTRPXBRC-RBUKOAKNSA-N 443.552 1.541 30 10 IDEE C=CCCC[C@@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1444647832 XXZRVGOTVDHSQB-LEWJYISDSA-N 447.601 1.574 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 1445631899 WJMSWYOSHLXQGY-GOSISDBHSA-N 431.558 1.252 30 10 IDEE C=CCC[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(=O)OCC 1449727261 PGXVAPTVGKPVBC-STXHMFSFSA-N 444.550 1.282 30 10 IDEE C#CCN(C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1456088165 UYIWUDAZRUODJJ-HUUCEWRRSA-N 436.534 1.285 30 10 IDEE C#CCC1(NCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)CCOCC1 1460800810 JVHWUHYPYVVPSM-UHFFFAOYSA-N 433.553 1.338 30 10 IDEE COC(=O)c1ccc2c(c1)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1461438387 CYPXGYYDQQXDBO-INIZCTEOSA-N 441.509 1.748 30 10 IDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)N3CCc4c(sc(N)c4C#N)C3)cn2)C[C@@H](C)O1 1465804153 GQJLNNRECSGEFL-BETUJISGSA-N 443.533 1.624 30 10 IDEE C#Cc1ccc(NC(=O)N2CCN(c3nc(N)nc(C(=O)OCC)n3)CC2)c(Cl)c1 1467403535 ZZCHUZUBMNLPQK-UHFFFAOYSA-N 429.868 1.619 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CCS2 1471532539 HABSSOYDKDRMAK-ANZKDXPISA-N 444.561 1.786 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)C1 1473824402 IASPBBJSNUOQOE-FVCZOJIISA-N 425.551 1.273 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)CC1 1476364056 DVERUILSPMNMLR-UHFFFAOYSA-N 436.534 1.567 30 10 IDEE CCS(=O)(=O)CCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1478817218 WCKPMYRRTZPXLL-UHFFFAOYSA-N 430.534 1.605 30 10 IDEE CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1Cc1ccc(C#N)o1 1499172146 BJTXYSWFYYNFRX-UHFFFAOYSA-N 425.537 1.878 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507627222 RGYJEIPCCBVNCU-KRWDZBQOSA-N 447.517 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1507653734 SZUPGPPOWUYRLZ-UHFFFAOYSA-N 430.468 1.420 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N(C)C)CC1 1507719165 YVHYHRRFPLNWEL-UHFFFAOYSA-N 434.342 1.269 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)CC)CC1 1508059563 XMAUFBNPQNXCHU-QGZVFWFLSA-N 426.587 1.108 30 10 IDEE C=CCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1508066774 WWIMFTPTPSQPDW-LPHOPBHVSA-N 425.555 1.121 30 10 IDEE N#Cc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)nc1Cl 1515265781 XVNQIETVCFATPO-UHFFFAOYSA-N 434.905 1.699 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1521759405 LJXKMSWRBLOIQM-HNNXBMFYSA-N 432.889 1.936 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1538964531 JSNICEGZZJEBFV-MOPGFXCFSA-N 438.580 1.657 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1539225223 MFSIBDWHHMFKEN-HXUWFJFHSA-N 436.541 1.528 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1539266846 TUEYYNPARJKWKE-PGRDOPGGSA-N 426.542 1.551 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)nc2)CC1 1539459473 HNMUSSHJKAUGEX-UHFFFAOYSA-N 433.564 1.404 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539521322 ZXVRNCKNAKHHLV-UHFFFAOYSA-N 439.589 1.968 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CCC)C1 1539617060 UJBFIGHHWLZELE-MHORFTMASA-N 441.598 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1540897215 DIUWEBBNWQLYEH-HRCADAONSA-N 447.627 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1540902977 VGJUQEJMWYTDPC-SFHVURJKSA-N 449.581 1.281 30 10 IDEE Cc1noc(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1543389925 BVAIMDDHNICDJS-UHFFFAOYSA-N 429.506 1.607 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1)N2C(=O)OC(C)(C)C 1546287035 ZACBAHRPOHTFBY-VPAKFMSCSA-N 448.564 1.866 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)N(C)C 1547599891 BFVAADKIPVXEEA-UHFFFAOYSA-N 432.550 1.556 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccnc1 1548174316 AJRKCUSSTODHMZ-QGZVFWFLSA-N 433.520 1.829 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@@](C)=O)CC1 1548175089 LUTDWLNRKLMQRQ-SSEXGKCCSA-N 429.550 1.319 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1548316011 HDNTWSWDCIDWLQ-RTBURBONSA-N 445.545 1.636 30 10 IDEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cn1 1552831130 HVMONHRYRRKQDE-KXBFYZLASA-N 433.513 1.131 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCOCCS(C)(=O)=O 1554150275 JHKAVATYSWWSBB-SFHVURJKSA-N 433.534 1.351 30 10 IDEE COCCn1cc(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1555571444 FCPILMXJGMTGBZ-JOCHJYFZSA-N 443.552 1.950 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)c1 1556956961 FOPFKIVDVLYSLK-UHFFFAOYSA-N 437.543 1.379 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1557769633 MATFHZLXORZCFD-FQEVSTJZSA-N 443.525 1.892 30 10 IDEE CCc1nc(CN2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)no1 1565613970 UXBWWODTOXACFN-UHFFFAOYSA-N 431.537 1.927 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)ccc1F 1569043836 KVXBNLROXKSGDX-INIZCTEOSA-N 449.508 1.058 30 10 IDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1583088082 SWWAVFCNOYBOHT-UHFFFAOYSA-N 425.493 1.674 30 10 IDEE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584197177 OQLGUYQIHNRMEP-SQNIBIBYSA-N 442.472 1.380 30 10 IDEE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@]2(F)CCS(=O)(=O)C2)C1)C(F)(F)F 1584854543 SXVJPYAGZLBWPX-VHSKPIJISA-N 428.326 1.114 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](COC)OC 1587579369 FWKRKSQJMFERHY-RDJZCZTQSA-N 435.550 1.315 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(O)CCO[C@@H]2C)c1 1587697068 JASMZZOZTQYHDB-ZHRRBRCNSA-N 427.505 1.411 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1587750456 XWCPWHMWSNLIMA-UHFFFAOYSA-N 435.536 1.916 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1587862641 YDWZPUNSSOQWFQ-MRXNPFEDSA-N 434.541 1.572 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588045939 UHKXSRYITJIHSD-FVJLSDCUSA-N 431.562 1.764 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccccn2)CC1 1588813404 XMKMGGVYYPYRJM-SFHVURJKSA-N 442.589 1.308 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1589047680 FNMDYYVCQJINCN-DLBZAZTESA-N 443.577 1.469 30 10 IDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1595659434 YIEDUEHEKAYIPO-QGZVFWFLSA-N 436.520 1.986 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H](N4C6)[C@]2(O)[C@@H](O)[C@@H]1[C@@H](OC(C)=O)[C@H]73 1615811875 FWYGVCOTAAEFJY-MLRSOOINSA-N 429.513 1.021 30 10 IDEE biogenic CCS(=O)(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H](C)C#N 1617399064 ANFRAOMMROVTJS-INIZCTEOSA-N 429.550 1.816 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1620083491 ZOTCLFRFKUZKIN-PVAVHDDUSA-N 425.555 1.565 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2OC(F)F)CCO1 1620355141 GXAFPSZQSZESGF-HUUCEWRRSA-N 432.431 1.802 30 10 IDEE CN1CCN(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)CC1 1620508621 WNRPTTJCTSKQOW-QHCPKHFHSA-N 442.583 1.246 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2C(=O)NC[C@@H]2C1 1621179234 GARQKZDGFCOWEG-SJLPKXTDSA-N 425.489 1.629 30 10 IDEE CN1CC[C@@H](N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)C1=O 1622285591 CBACWAWRNQVXSG-MRXNPFEDSA-N 430.452 1.550 30 10 IDEE O=C(Cc1ccc(Br)cc1)N[C@@H](C(=O)N[C@H]1CCN(O)C1=O)c1ccccc1 1624906625 OQYIVGKHEOUEGW-FUHWJXTLSA-N 446.301 1.955 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 1635838878 YTEGIPWPXGCBEP-MRXNPFEDSA-N 431.466 1.382 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 1636673685 COCZLAUVZAQBBH-UHFFFAOYSA-N 435.456 1.516 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)NCc2nc(C#N)cs2)CC12CN(C(=O)OC(C)(C)C)C2 1638702974 DZXRBRYCJKENLT-ZDUSSCGKSA-N 435.506 1.566 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cc(Cl)ccn2)CC1 1638802958 IZERDDLHEJERBX-UHFFFAOYSA-N 447.948 1.903 30 10 IDEE COc1ccc(C(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OC)c1OC 1639175704 YPICPAZVXPAMHR-RBZFPXEDSA-N 436.486 1.072 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCc2nnnn2CC1 1643033198 DXENRZJQGLRCRS-LBPRGKRZSA-N 435.282 1.606 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648414599 SKQOPTHDSBQPHV-IIBYNOLFSA-N 448.545 1.742 30 10 IDEE C=CC[C@]1(C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)CCCN1C(=O)OC(C)(C)C 1651874000 BFIWIHFOZVPOQO-OAQYLSRUSA-N 430.509 1.732 30 10 IDEE CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C1 1662603083 APUXYDFNENEMCT-KRWDZBQOSA-N 434.518 1.682 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1690001987 WQOIOYUPTLIANP-QUCCMNQESA-N 446.621 1.758 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1690046399 BWNYVANXUKSGFM-MOPGFXCFSA-N 449.577 1.033 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1690077071 HZGRXKCFRBCZGL-RBUKOAKNSA-N 447.561 1.458 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)CC)CC1 1690110759 YRSDGWRETLNNQL-QFIPXVFZSA-N 444.967 1.778 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC[C@H]2COCCO2)CC1 1690133699 QKJOBNJJWCNMRA-NRFANRHFSA-N 439.560 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1690152604 RBFPQPHAOKKETR-QHCPKHFHSA-N 443.523 1.827 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690254787 ISVQAAVVSXSMOQ-YGDRQDSZSA-N 447.580 1.946 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1690660887 QDRJHNFWEMPYGW-HNNXBMFYSA-N 442.495 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CC)C1 1690714604 PSHXEJUKFYJHSJ-HNNXBMFYSA-N 434.522 1.141 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CCO1 1690957127 DBNHUQUQFNUMPM-KRWDZBQOSA-N 438.517 1.366 30 10 IDEE CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695040039 OULGHCWTNVAGIW-IERDGZPVSA-N 425.493 1.315 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1696328031 CKEWKUFWTLUUHD-UHFFFAOYSA-N 444.561 1.590 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1cc(CO)nn1 1705481745 MFCYPRUCDCKETE-HNNXBMFYSA-N 425.493 1.594 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705497621 FCRRQVVOHISGCA-IAGOWNOFSA-N 441.561 1.256 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC1CCCCC1 1705550086 AQZUBPTVXNYUMX-UHFFFAOYSA-N 443.577 1.757 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1705580168 FFFCDKZRVLWUGH-DENIHFKCSA-N 446.555 1.571 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705752799 HLXFBXLVSIFWOS-HNNXBMFYSA-N 445.911 1.523 30 10 IDEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705810321 UYGCWIZKFGRBOG-KZNAEPCWSA-N 444.580 1.700 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1705824706 YKJFRPBGDIDKHM-AVRDEDQJSA-N 433.553 1.724 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CCC1 1711045511 DIOKWLZTKBAFPB-KRWDZBQOSA-N 444.561 1.999 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@H]1OC 1722353383 VJFIKOCMYBUXDD-RTBURBONSA-N 425.537 1.573 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722360191 DUHWHLVUNCUZMF-XMSQKQJNSA-N 443.573 1.908 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCOCC1 1722449225 ROBZIEYEVXXUFZ-UHFFFAOYSA-N 436.516 1.705 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722695592 IXTFDUHQFDMBIL-OAHLLOKOSA-N 444.927 1.336 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCNC(=O)[C@@H]1CC 1722696215 FOGRDIKNQNCYLA-HNNXBMFYSA-N 447.337 1.725 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1729348956 GVRPCYJJCVTCTL-QGZVFWFLSA-N 442.545 1.486 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1731183992 XQUJXZDLCPRSOS-HRAATJIYSA-N 428.468 1.750 30 10 IDEE N#CCCN(CC1CC1)c1nnc(Cc2ccccc2F)n1CC(=O)N1CCOCC1 1731188068 DWKHMSBARGSONN-UHFFFAOYSA-N 426.496 1.997 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1nncn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740627215 ZEDQVWXNYQXJPF-QGZVFWFLSA-N 425.518 1.096 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cc(C)cc(C)c1 1740640284 JPENSXQOXWMKNE-LJQANCHMSA-N 426.542 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1740656472 KFBLVRZNOPUZEW-KRWDZBQOSA-N 441.561 1.009 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1740692648 YLFDMPDMPXWBMK-UHFFFAOYSA-N 444.605 1.591 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2C)CC1 1740705225 DGALSCDDZQINPQ-FQEVSTJZSA-N 434.544 1.746 30 10 IDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740720041 VUBUWUCFGAACNE-RTBURBONSA-N 428.558 1.904 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1740887892 MQLUKDOYOCLDRM-KRWDZBQOSA-N 425.555 1.360 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1740966109 PLSNOFQCCLUGCU-JFIYKMOQSA-N 442.568 1.969 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1741005645 MNYSVZDHAHJEBB-AWEZNQCLSA-N 434.591 1.856 30 10 IDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1741690014 BGNQTIWZAUCDHW-QGZVFWFLSA-N 439.520 1.345 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCO[C@H](C)C2)cs1 1742591113 DACZNFZUBKMWRD-VQIMIIECSA-N 445.593 1.864 30 10 IDEE C[C@@H]1N(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1743380437 MSUITTYJGPZJAI-SCYHOBCLSA-N 430.509 1.660 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1745779808 YHKVBSSBFKCDIJ-UHFFFAOYSA-N 445.531 1.850 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1748808569 LIWMZNRJMSKSQB-MOPGFXCFSA-N 427.530 1.868 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)OC 1748958564 APFXHHIKAQRPQT-UHFFFAOYSA-N 434.566 1.749 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C(F)(F)C23CCC3)CC1 1748972219 CZKINNKLCNZEJB-HUUCEWRRSA-N 442.536 1.079 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1749033366 DYYSCRWVQDVJGM-AWEZNQCLSA-N 437.529 1.627 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749038420 RUPPGGFFGZPPLP-UHFFFAOYSA-N 432.594 1.160 30 10 IDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749629924 FFRGCVUPNXJMJG-CYBMUJFWSA-N 428.447 1.865 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)[C@@H](C)CC)C1 1749712704 LAUSTGQGOAZBDT-XLSPSMHOSA-N 426.583 1.759 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1751097204 GIEXVPVDEHZMKU-CYBMUJFWSA-N 436.563 1.585 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752734098 XVYDJMWPIMDTNH-HUEFEVLASA-N 427.509 1.034 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1760188408 PBPADDXHQUIVOD-RTBURBONSA-N 446.577 1.811 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760189833 WZBJVMYRYLWWNK-QGTPRVQTSA-N 447.561 1.817 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCN(C)C1 1760197739 IJKHXTJOKMUTKO-GOSISDBHSA-N 434.363 1.909 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760255031 TURWHXFWDHWQAC-HXOBKFHXSA-N 441.532 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)N(C)C)CC1 1760266120 QIJZYZILRRXGFO-HXUWFJFHSA-N 436.560 1.874 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1760280128 HZGXBPQTZIGZQI-SFHVURJKSA-N 426.546 1.628 30 10 IDEE C=C(C)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760349390 JUFQQZSAOOPEQD-CALCHBBNSA-N 448.568 1.920 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760427786 INUHZBOEEFFFQQ-GUDVDZBRSA-N 437.610 1.693 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1760494938 ALKRXGXBMNMBPW-SFHVURJKSA-N 437.610 1.594 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760525355 CDGZHMAPKHHHIS-PDSXEYIOSA-N 446.577 1.709 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760552066 ANTGORDZTFZPHO-QGZVFWFLSA-N 431.522 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760555686 KNTULJNVUOUOPF-ROUUACIJSA-N 439.582 1.473 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760864792 AANIWRXRXDAKSK-AVRDEDQJSA-N 425.537 1.782 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1766386909 GREABRFPUSCMNJ-ICSRJNTNSA-N 426.521 1.988 30 10 IDEE CCOCCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766525137 TYOQNWYVZFTVQW-UHFFFAOYSA-N 439.520 1.752 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@H]1C 1767131646 FGMWXFQENIFIPG-OAHLLOKOSA-N 447.490 1.640 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CC1 1769150500 IBNAPTUZAAWVSV-UHFFFAOYSA-N 435.488 1.893 30 10 IDEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1769715037 ZWHXJFRZSCRIMS-MAUKXSAKSA-N 448.549 1.374 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1OC 1770087005 NFTMOMCEEMBBBO-KRWDZBQOSA-N 442.520 1.853 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NC1CCCCC1 1771305096 SKMLEYBFAZOTHV-WDYCEAGBSA-N 432.525 1.180 30 10 IDEE Cn1cc(N2C[C@H](C(=O)N3CCCc4nc(C#N)cc(Br)c43)CC2=O)cn1 1850901475 XURJPWORMDRBCX-LLVKDONJSA-N 429.278 1.782 30 10 IDEE N#Cc1cc2c(cc1CC(=O)O[C@H]1C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C1)OCO2 1853241634 ZMNCUVCNRUTJLX-RBUKOAKNSA-N 447.447 1.385 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCCCN2CCN(C)CC2)c2cnccn2)c(C)c1 1853410408 GAIJELMTLBJXPA-UHFFFAOYSA-N 446.577 1.388 30 10 IDEE C=CCN(Cc1cnn(C)c1C)C(=O)c1cn(CCN2C(=O)c3ccccc3C2=O)nn1 1853590360 FRXBHMQXPWIUMR-UHFFFAOYSA-N 433.472 1.445 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1854248674 IHLKGSVPGAKZIR-SJORKVTESA-N 436.509 1.342 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2=O)CC1=O 1857240699 UVJDQANDTOTLHJ-KRWDZBQOSA-N 433.530 1.033 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 1858332548 BXBGNCDMNNSACQ-CQSZACIVSA-N 425.919 1.953 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCO)ncnc21 1875231600 VLRLQOKTWJWBTG-UHFFFAOYSA-N 436.516 1.993 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)C[C@H]3COc4ccccc4O3)CC2)CC1 1889423238 OYBBJKBMZZHERK-NRFANRHFSA-N 427.545 1.475 30 10 IDEE CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N(C)C1CN(c2nccnc2C#N)C1 1891139707 WOGULPYGVGCSQG-ZDUSSCGKSA-N 425.518 1.412 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(I)cnn1C 1988517254 QIDANOAAGVWJAN-LLVKDONJSA-N 432.262 1.558 30 10 IDEE COc1cccc(NC(=O)C2CC3(C2)C[C@H](NC(=O)C#CC2CC2)CCS3(=O)=O)c1 2059855222 RYGOWPMQWNYLRO-ASNBIDDJSA-N 430.526 1.889 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2060626245 VETDSMTXHCIDAR-FQEVSTJZSA-N 434.302 1.398 30 10 IDEE CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1=O 2081195274 KNHXXQCDDSTFPP-KRWDZBQOSA-N 444.337 1.917 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2occc2B2OC(C)(C)C(C)(C)O2)CC1 2101329709 UUCFCIKHLVAVMZ-UHFFFAOYSA-N 449.357 1.748 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2247550764 UXGIVKFJHXXGNC-GJGORFQUSA-N 439.509 1.777 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247920028 UENMRVQNUZBCRD-UHFFFAOYSA-N 441.359 1.402 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248433783 QDHDMGSERAODMH-ZDCWMAILSA-N 436.343 1.501 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248440898 JXAMAJBDEGDWSB-UHFFFAOYSA-N 440.375 1.837 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255619742 RYQFMOLGHLTZHN-KBPBESRZSA-N 432.330 1.790 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2255647457 ZCRPFWPQSGUYBW-HIFRSBDPSA-N 432.330 1.904 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653968 QBDURTUXGDFRIZ-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1 2255680330 QMBHZIJTFHEFRD-KRWDZBQOSA-N 434.342 1.910 30 10 IDEE Cc1nc(S(=O)(=O)N[C@@H](C)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255804180 ZYQHBPAAXAFRLA-HNNXBMFYSA-N 449.382 1.911 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256614734 PHQRVIRYGUMTKS-KRWDZBQOSA-N 434.342 1.530 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)n1 2267113264 RFGVOVRZJUSRAY-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE Cn1nc(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267134636 SCYMWALMMNUKSV-RCDICMHDSA-N 446.357 1.706 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C 2267459714 FLKQIFSWKZIZID-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)n1 2267503323 BRZPDNCUCCCNPS-CVEARBPZSA-N 446.357 1.943 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267536128 HADKPKDVDOBUCR-RBSFLKMASA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873822 SNSPLMRPBRDLHO-GASCZTMLSA-N 444.341 2.000 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268634748 KCKDVHQXSHBVON-HNNXBMFYSA-N 449.313 1.776 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268635932 XITBKPALMIVKKE-YJBOKZPZSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268636180 AERRVBUAFUMDMU-CAJLXGCNSA-N 447.341 1.985 30 10 IDEE C[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2315697740 WQYCQPMAVZLAPF-ZYHUDNBSSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2322309338 QSJUCVNJUCSMGJ-UHFFFAOYSA-N 437.321 1.990 30 10 IDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 111047692 XABQFVDSALFERQ-LJQANCHMSA-N 439.537 1.677 30 10 IDEE CCCCCCCCNC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 248294875 WIWJCKQOAWDOQO-HGJKNBTDSA-N 442.553 1.976 30 10 IDEE C=CCn1c(SCC(=O)Nc2cn(C)c(=O)n(C)c2=O)nnc1-c1ccc(Cl)cc1 460108289 RCOQDOHMKDVRGT-UHFFFAOYSA-N 446.920 1.913 30 10 IDEE N#Cc1ccc(OCCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 460283939 WABKARHXLQXVEB-UHFFFAOYSA-N 443.525 1.707 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1 462753084 DBYUTBYFJSUVTN-UHFFFAOYSA-N 434.493 1.452 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1c1cncn1C 474580909 CDKOVKFUFKLVRY-XMSQKQJNSA-N 435.532 1.725 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cc1S(=O)(=O)NCC#N 511779741 XCBOYUQYADFOIK-SFHVURJKSA-N 426.498 1.722 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 512417799 GTPWAJBUUGAKPI-QZTJIDSGSA-N 449.515 1.248 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCCO2)c1=O 533883555 CRYUCKMPELZQKG-QGZVFWFLSA-N 426.542 1.568 30 10 IDEE CC(C)(C)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1O 541617235 BAXJYUAPEOVTHH-RTBURBONSA-N 448.589 1.120 30 10 IDEE CCn1nc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccccc3)c2=O)c2ccccc21 545315819 UXBUHZPRIZYBSH-UHFFFAOYSA-N 443.532 1.577 30 10 IDEE CCn1nc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3)c2=O)c2ccccc21 546022517 LDSNENIGQMEHBW-UHFFFAOYSA-N 447.495 1.657 30 10 IDEE O=S1(=O)CCN(CC#CCN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)[C@H]2CCCC[C@H]21 551394250 IYXROOFQUQWDRV-IYWMVGAKSA-N 428.620 1.073 30 10 IDEE CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 558145546 AHZDYJNJNIGPLU-UONOGXRCSA-N 442.549 1.862 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 572613260 MHFVLLFJEGGART-KRWDZBQOSA-N 441.598 1.971 30 10 IDEE Cc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc(N2CCOCC2)n1 585475267 BITBQFNNZWIAFG-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE CC(=O)N1CCCc2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc21 609901982 RFZQQDCVYZMHGC-UHFFFAOYSA-N 425.514 1.763 30 10 IDEE CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c2ccccc2O1 747495025 HHBRWJPOMOUSKO-FQEVSTJZSA-N 436.468 1.503 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755191023 ZLCROADTPLKJNS-KRWDZBQOSA-N 428.489 1.504 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 756975827 VPUXLYUBCVMDEE-KRWDZBQOSA-N 428.533 1.701 30 10 IDEE Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](O)c2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C 780211292 WKUXCFISAROMDL-FOIQADDNSA-N 434.452 1.960 30 10 IDEE COC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 782809519 BOOHJODJRGVSQQ-MRXNPFEDSA-N 430.486 1.960 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCC2CS(=O)(=O)C2)c1 786842576 JIWDIBDKNYIMEB-CAPFRKAQSA-N 428.536 1.056 30 10 IDEE C[C@@H](OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)NC1(C#N)CCC1 787586954 XGRARPRAEZWFIM-LLVKDONJSA-N 448.273 1.929 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)n1 789322449 JJCZXANKQXNUQV-AZUAARDMSA-N 426.517 1.652 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1C#N 789798396 HDHQJYBKLHUOHO-UHFFFAOYSA-N 426.448 1.475 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1C#N 793732574 ITTXLCHULITQQU-SFHVURJKSA-N 449.511 1.201 30 10 IDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)c2cc(C#N)ccn2)CC1 803849607 MUSUEQDACLRTPH-UHFFFAOYSA-N 435.484 1.455 30 10 IDEE N#CCn1c(CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc2ccccc2c1=O 805787370 NTDZDKAVEVBGTN-IAGOWNOFSA-N 429.480 1.929 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 809909562 FJYVGGPGAPKEKP-GJZGRUSLSA-N 441.554 1.396 30 10 IDEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810363570 WMDTXHIHIBAVPR-UHFFFAOYSA-N 436.534 1.694 30 10 IDEE COCCNC(=O)CSc1ccccc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 916774858 GAQPRCLTTKEKPQ-UHFFFAOYSA-N 447.538 1.673 30 10 IDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 916809123 AKFFLLXOGSTFOW-KRWDZBQOSA-N 429.473 1.984 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1128164978 PXJRENXDJOKGPR-QGZVFWFLSA-N 432.525 1.943 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)ccc1OC 1156248288 ZYUAUQPCPMBTRN-MRXNPFEDSA-N 429.502 1.587 30 10 IDEE C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157884854 LSDJWOSRMCCWRR-AMJWSMQMSA-N 446.348 1.026 30 10 IDEE CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)NCc1cccs1 1163190135 TUFICWABYZTTII-MRXNPFEDSA-N 434.543 1.683 30 10 IDEE C=CC[C@@H]1CCN1C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1180063688 KQKPNFOUBRZTHN-FXIGXVRNSA-N 426.560 1.557 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](c3cc(O)nc(O)n3)C2)CC1 1195693810 ALQUUDVVFRIDHJ-GOEBONIOSA-N 428.518 1.148 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1286355130 DTTDRIMCZFYJEB-QFIPXVFZSA-N 449.603 1.771 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN(CC)S(C)(=O)=O 1286380039 HNISZKQEOPRQNU-IAGOWNOFSA-N 425.599 1.938 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1286560298 COZVDFAXMDPTCV-AEFFLSMTSA-N 428.541 1.511 30 10 IDEE C=CCCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286699425 CNZBJDLOCZINBZ-BZUAXINKSA-N 439.582 1.933 30 10 IDEE COC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 1288915544 MFOWTBFUCBNMPC-AZUAARDMSA-N 435.546 1.517 30 10 IDEE Cc1n[nH]cc1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1289165589 HVSGUWZVRGTDLL-XLIONFOSSA-N 431.566 1.975 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C#N)o1 1292121911 JQPWVPBFEBLIEV-QGZVFWFLSA-N 436.520 1.886 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1300440512 ZBYDVMVMUDBYAD-UHFFFAOYSA-N 425.518 1.440 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1300544670 BHOBLCMTHAMLDO-IBGZPJMESA-N 426.542 1.981 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)CC=C)CC1 1300690820 JZNMAFZQMOTOTQ-UHFFFAOYSA-N 443.529 1.030 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1300716721 PSWOCTQGPKYBGK-GBESFXJTSA-N 447.580 1.783 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1300769396 GDZTZQRIVIQYAK-WIYYLYMNSA-N 430.578 1.890 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1300916533 YIXUKGGGLYCRPC-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1301017162 HBEQKHLQVNESOE-UONOGXRCSA-N 432.978 1.526 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301251980 KKSLGOHZYMUSJT-GOSISDBHSA-N 429.525 1.699 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1305631503 IOZNFPHUWGGILY-WAIKUNEKSA-N 435.532 1.980 30 10 IDEE Cn1nncc1Cn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1314936360 WYCXSLPDTGSJTG-IYBDPMFKSA-N 441.540 1.966 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1316349489 VAMPSEOFACXJNP-QGZVFWFLSA-N 426.506 1.294 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 1355709756 BONTVJFTCIJMOJ-GOSISDBHSA-N 435.569 1.730 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1358939678 BTFQMWPVTSTPPP-REWPJTCUSA-N 432.613 1.662 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358961172 SMWCBTQEVUTJME-MSOLQXFVSA-N 432.594 1.641 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1358965811 BMRJIKUBXMONFD-MRXNPFEDSA-N 433.509 1.470 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](COc2ccccc2)C1 1359298010 JUKGDKVVXLHGSW-FQEVSTJZSA-N 434.500 1.927 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc2c(c1)OCO2 1359306406 FOZWOHXEQVMKOJ-JXFKEZNVSA-N 443.504 1.669 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc2c(c1)OCO2 1360665451 GMUDBASSABJMNN-AWEZNQCLSA-N 446.533 1.795 30 10 IDEE Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1360952349 CVNLEYFOXJRCRM-ZDUSSCGKSA-N 446.562 1.605 30 10 IDEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N[C@H]3CCCN(O)C3=O)c2)c1 1450275004 XODLVTJLVMNBEK-KRWDZBQOSA-N 429.429 1.772 30 10 IDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C(=O)OC 1451174018 PEXJJHCBRZOHKJ-AWEZNQCLSA-N 429.292 1.185 30 10 IDEE Cn1ccnc1[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1457390290 SRVYJIPZLXMRIT-AWEZNQCLSA-N 429.424 1.659 30 10 IDEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c(C#N)n1 1458081712 CXYVCUKEUHZZII-UHFFFAOYSA-N 428.470 1.453 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1466509319 IAXSYJWAHFPNNL-UONOGXRCSA-N 437.497 1.455 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 1471171061 FSSRQKBHPYGYCY-QGZVFWFLSA-N 447.333 1.873 30 10 IDEE CN1CCN([C@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c2cccs2)CC1 1477472265 HHTRBXBUKBPHOJ-HXUWFJFHSA-N 439.589 1.835 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1505038028 JAWIYPURNYMURN-UYAOXDASSA-N 427.505 1.721 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1507630489 AEEUTYOYUVCQET-SFHVURJKSA-N 439.545 1.540 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1507660135 MWMRJZZIVRXVLU-QGZVFWFLSA-N 432.594 1.226 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1507660993 JLBUFXNZPUDDNA-LJQANCHMSA-N 441.454 1.460 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](OC)C(F)(F)F)CC1 1507726324 IFDNFGFJOSNDDT-HNNXBMFYSA-N 428.459 1.123 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507758592 PXPVLDUPQNZQJP-UTKZUKDTSA-N 433.578 1.496 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507798442 NZPIQEYEDVJKCM-LNLFQRSKSA-N 442.568 1.990 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1507805323 MSZOECUVAPSDMU-RYRKJORJSA-N 439.520 1.608 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C 1507809742 XGNAJPIXQMDUDD-RYRKJORJSA-N 432.569 1.845 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507966256 WNILXBILTYYXJG-MRXNPFEDSA-N 444.561 1.673 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1508038807 KTYWTRJWJGTTEB-INIZCTEOSA-N 434.566 1.328 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccco1 1508145967 RZSZQJUSXGSNDJ-CABCVRRESA-N 442.563 1.571 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1516863687 RUHAPPBZWBMLTH-HKBQPEDESA-N 436.545 1.702 30 10 IDEE C[C@H](Sc1nc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1)C(N)=O 1521758511 AHIROWXFDGANAN-LRDDRELGSA-N 443.554 1.835 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CC2(C#N)CCOCC2)c1 1526339797 KWADWDBUCBKGDW-UHFFFAOYSA-N 436.534 1.422 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)c1nccs1 1533904353 NKFMXRLHEDCWJF-AWEZNQCLSA-N 431.495 1.747 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1539044689 GXYRECLZPJPUFC-UHFFFAOYSA-N 430.582 1.960 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539156037 ZHRFVBUESRQFKR-KRWDZBQOSA-N 439.335 1.327 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)N1CCOCC1 1539403317 QUVGJGLNGDTXNM-UHFFFAOYSA-N 435.887 1.682 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC(C)C 1539416955 WFUCFQQCIYSFKW-UHFFFAOYSA-N 440.552 1.063 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCO2)n1 1539424000 JCNKIERLWRZMTG-QUCCMNQESA-N 428.537 1.834 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1539566752 PQGANQHVMFILBM-LEWJYISDSA-N 426.546 1.740 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540901807 PVLDAPDGYSKLOL-QGZVFWFLSA-N 430.538 1.354 30 10 IDEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC 1548369492 JSPBUWJJADDJEA-QGZVFWFLSA-N 434.422 1.870 30 10 IDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1555231176 HUBVWUIXOHOKKX-OAHLLOKOSA-N 437.504 1.620 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1557105153 KIQJHNARAMHVCY-UAGQMJEPSA-N 428.938 1.580 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1558124031 XWZSGWBCYDBIFG-SPLOXXLWSA-N 447.488 1.655 30 10 IDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(Cc3ccsc3)CC2)C1=O 1559308658 RQBUOUATZJTBJL-JOCHJYFZSA-N 437.525 1.731 30 10 IDEE CC1(N2CCOCC2)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1564690175 PHZNZFKSLRPUID-HXUWFJFHSA-N 425.533 1.555 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@H]3CC3CCOCC3)C2=O)cc1 1564690288 PLRMCIXESIGVJH-RTWAWAEBSA-N 426.517 1.886 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1564958130 UDAPDXJCXWPFRX-RDJZCZTQSA-N 433.505 1.771 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C)c(C)c3C#N)CC2)cc1OC 1586037486 WJHPKSNAGLCYHW-UHFFFAOYSA-N 447.517 1.657 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588050591 SWKPBOWKFMLDOD-GOSISDBHSA-N 432.550 1.122 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)CC1 1588199518 SALPUVIUGJKWDW-UHFFFAOYSA-N 448.570 1.823 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C)C(C)(C)C1 1588293226 RZXLLAUBZJWTHX-UHFFFAOYSA-N 448.579 1.406 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1588884913 OPKOGXVIBIHZKL-KSFYIVLOSA-N 432.569 1.179 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)NC(C)C)CC1 1588930322 SNBMCGMBZDBJKL-SFHVURJKSA-N 430.553 1.400 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1594992965 WMXXZQDXYJRVGT-GBXCKJPGSA-N 440.592 1.805 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1C(C)(C)C 1595602570 NZHSRCROZYEISZ-HNNXBMFYSA-N 428.541 1.275 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)N(C)C)C1 1595689637 WBIGRXFHQMMBCJ-SFHVURJKSA-N 435.550 1.626 30 10 IDEE CCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OCC)CCOC1 1617204496 CHYIMZBJPXHOGD-OAQYLSRUSA-N 428.493 1.502 30 10 IDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1617225996 MABRWESZSOXEAX-FZTQNYJHSA-N 440.566 1.313 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1617702738 NHWPBELODOXXAH-ICSRJNTNSA-N 426.521 1.675 30 10 IDEE COCCCN(C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1619838806 YDPWHSJTCDPQDP-JOCHJYFZSA-N 440.527 1.927 30 10 IDEE CCOC(=O)Cc1cnc(N(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)s1 1629829656 QXUHGADNVUYOCH-UHFFFAOYSA-N 425.463 1.962 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1633792653 KEQQKBLVTMGSOF-ZWKOTPCHSA-N 428.489 1.366 30 10 IDEE C=CCOCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1637239199 USOFXZPKVHFFGP-CQSZACIVSA-N 429.258 1.676 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2csc(-c3ccn(C)n3)n2)s1 1638233800 LPJQJSSUBDUZGA-UHFFFAOYSA-N 437.572 1.928 30 10 IDEE C[C@@H](CC(=O)NC1CCN(C2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1645195225 FXHIDGKCDDWJQM-HNNXBMFYSA-N 434.562 1.263 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)CCOC1 1645840449 BSHYTRWDEROEGX-HSZRJFAPSA-N 439.468 1.820 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OCC 1654769597 GRZUWOSXKPZGEQ-GFCCVEGCSA-N 437.884 1.181 30 10 IDEE CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCc2c(sc(N)c2C#N)C1)C(F)(F)F 1671224941 CJQJYVBYBABVLU-NSHDSACASA-N 425.458 1.092 30 10 IDEE CC(C)(C)c1cc(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)n(-c2ccc(C#N)cc2)n1 1677478993 GZYLXXGQUSBUPS-FQEVSTJZSA-N 431.518 1.713 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)cc1 1681270545 IANIOMLFCAPUKV-UHFFFAOYSA-N 447.538 1.732 30 10 IDEE N#C[C@@]12CN(C(=O)NC[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)C[C@H]1CS(=O)(=O)C2 1681560177 KKUUSSMZZPGTLS-GIUOSPMZSA-N 435.521 1.479 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1687347819 NBNFHNBWYSNDKQ-UHFFFAOYSA-N 428.537 1.591 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1687649691 WKFKKTOUNIYGQK-UHFFFAOYSA-N 439.394 1.741 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2COCCO2)CC1 1690133588 MMKHZKVZHPGKGL-FQEVSTJZSA-N 425.533 1.590 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C)COC2)CC1 1690152420 KJEZWZGBSAUJEZ-UHFFFAOYSA-N 425.537 1.142 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1690484705 BMVQIARXDOHPNH-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1690622340 NFQJGGNNZKMNRA-OXJNMPFZSA-N 426.583 1.760 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690666973 MZRHQMSKFFXDBG-UHFFFAOYSA-N 437.504 1.076 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)[C@@H]1CC 1690668798 JPWZHUOZALDACD-SFHVURJKSA-N 434.504 1.148 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1690676686 ARWMLODNVLYNQL-HNNXBMFYSA-N 430.484 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690724203 JZQYFOHDJMJSJM-LJQANCHMSA-N 444.623 1.483 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CCN2C1=O 1695783326 WUYOZCLOYONIMU-SFHVURJKSA-N 437.504 1.452 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1696461743 LKZMUXUAEOLGAH-QFBILLFUSA-N 447.561 1.882 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1698191374 MXJQDZDDVDJCQY-OFNKIYASSA-N 440.548 1.515 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1)C1CC1 1698305557 BVLOONQHIOZCHY-MRXNPFEDSA-N 428.518 1.109 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1705533525 YHUWNZOVWTUFQT-ICSRJNTNSA-N 444.557 1.878 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1705560654 JDKYORYYHXUCIO-KRWDZBQOSA-N 445.501 1.517 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705566136 YTCQODXHFKSSGN-HXUWFJFHSA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705569559 HVYKMYDLLHOUOT-IBGZPJMESA-N 443.573 1.707 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705587736 HBMKCDPYTCGSET-XXBNENTESA-N 425.533 1.705 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCC(OC)CC2)CC1 1705643432 FXVCPFRJLJKCRW-MAHYXTOZSA-N 431.581 1.963 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705651537 ASZBQHHSWFGGHN-IERDGZPVSA-N 435.594 1.947 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1705693288 DWFKVMRKVCJMJU-DOTOQJQBSA-N 446.533 1.141 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1705861311 BHUQRUYTGODCFW-KRWDZBQOSA-N 427.534 1.550 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1705880659 LZOSOPQOMSIQST-UHFFFAOYSA-N 425.493 1.366 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1705896923 BYJUZQRTBHKDPR-QKKBWIMNSA-N 430.484 1.561 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1705960153 IVMSNLNXVGFXOI-IBGZPJMESA-N 426.521 1.520 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1706743864 NICFTRXZVCWDEE-JSGCOSHPSA-N 425.449 1.400 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1708866254 SBTQFNYOBKJXIO-VCMOWOFXSA-N 430.509 1.661 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1711149766 IPFXERXZHKKUAW-WMZOPIPTSA-N 437.504 1.668 30 10 IDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCOC1 1711624083 GXOBFAQAAHSVBI-YLJYHZDGSA-N 431.518 1.246 30 10 IDEE COCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1712618257 XAIHSIKROBKSFO-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1712692157 MATKSVKANFGXFF-OAHLLOKOSA-N 425.461 1.722 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1722296446 QATZXJPASOSGJV-QAPCUYQASA-N 435.525 1.565 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1722324286 ONJJBBQGWSJCQI-APWZRJJASA-N 447.561 1.888 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1722342643 UDKDHMNHNXDIMX-WMZOPIPTSA-N 431.924 1.982 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722366951 JXXRGTIXQHGROK-HKUYNNGSSA-N 436.578 1.616 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(CN2CCOCC2)CC1 1722533707 DIOLJQWLSMENAK-UHFFFAOYSA-N 427.553 1.876 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722700285 DJIIXEFTKNDFIU-QGZVFWFLSA-N 440.523 1.805 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC(C)CC2)CC1 1722702275 MTCUJXYEWFGOOI-UHFFFAOYSA-N 443.596 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722750688 MWSSTRBOWLWIFN-KRWDZBQOSA-N 435.550 1.752 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCOc1ccc(F)c(F)c1 1723910839 GEWKNGPQGHAZFS-STQMWFEESA-N 442.492 1.984 30 10 IDEE C[C@H]1COCCN1c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1726748312 FUQWCYZVSTWINZ-ANNUQZOISA-N 440.479 1.760 30 10 IDEE CCO[C@]1(c2nnc(N(C)C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1728756595 PWBAODZDMSOMLF-RURFIKTLSA-N 430.509 1.445 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1730900171 BBCDJZSLBCYMDO-FQEVSTJZSA-N 427.505 1.864 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)OC(C)(C)C 1740609002 JVIZKVNPMZIQCH-UHFFFAOYSA-N 437.504 1.786 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1740722154 DZRFYHKRXQCQIN-MRXNPFEDSA-N 429.546 1.934 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740994620 QGDDQDUHFLABCC-UTKZUKDTSA-N 438.594 1.996 30 10 IDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1741001685 BAYVLHNHJVXPBF-QGZVFWFLSA-N 442.593 1.683 30 10 IDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1744802650 CVCJRGWAEDWNDN-VTNFTYBJSA-N 441.536 1.552 30 10 IDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)CC1=O 1746428191 YEFODKLHMZWMSK-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1746489875 CZTMHVYGYKLOJP-UHFFFAOYSA-N 440.552 1.570 30 10 IDEE CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748000841 OPBNDLQUNMJNRR-HXUWFJFHSA-N 431.518 1.677 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1748049961 GTPHWWYKRPLDFN-JOCHJYFZSA-N 425.537 1.234 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1748750946 AAVYOLYNYNWCFE-IIBYNOLFSA-N 432.521 1.831 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1748751934 OQKXAYRKYMOZQM-GOSISDBHSA-N 433.534 1.366 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1748962316 DWPJQVFVNHSADM-SFHVURJKSA-N 432.546 1.710 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 1748987377 VZZLOWLXYHKZDF-JOCHJYFZSA-N 439.951 1.995 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@@H]2CC)CC1 1748990565 YQBYKTMCAFVHAW-UXHICEINSA-N 448.637 1.200 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1749119872 XTSUBUABSDOWDK-SQNIBIBYSA-N 440.614 1.400 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749311187 HVCWSLNFAJMZBI-NRFANRHFSA-N 448.545 1.572 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749456710 KNJYZTBGGLGDNY-ROUUACIJSA-N 446.552 1.531 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1)C1CC1 1749506546 PKUFMBDCADJLCF-UHFFFAOYSA-N 430.534 1.905 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](CC)C1 1749655316 HNISGBIMEDTLNO-INIZCTEOSA-N 446.577 1.734 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(C(N)=O)CC1 1749680438 LHOXXZJKFJMFGZ-UHFFFAOYSA-N 426.521 1.423 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](COC)C2)cc1 1749685384 CXNPMNRMKJUDON-FQEVSTJZSA-N 441.532 1.865 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749729798 SEQSFNWBKHJRDC-PBHICJAKSA-N 449.964 1.914 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750035065 ZXUGJLAVRKYJDX-UHFFFAOYSA-N 434.504 1.966 30 10 IDEE Cc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)n1 1751620552 ORFMSKBYGNWAAB-UHFFFAOYSA-N 441.517 1.633 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1760174135 DVJIBTZFWFWUHK-GOSISDBHSA-N 433.534 1.046 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1760217889 PXSQRDDKDDBWHS-LJQANCHMSA-N 439.541 1.307 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CCC)CC2)CC1 1760252649 TUEQDWLAMHMEPB-UHFFFAOYSA-N 427.597 1.391 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCOCC2)CC1 1760273374 QTVRXQSTQCYXIX-PMACEKPBSA-N 445.564 1.395 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C(C)=O)CC1 1760454406 IGQBRWXGDPBDTQ-UHFFFAOYSA-N 436.358 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760543573 UGOYPSJTJICKAO-SJTPKYKMSA-N 428.493 1.090 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760552433 NKJZAIMSXQCHHP-HNNXBMFYSA-N 448.524 1.241 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760556924 UJWIBFNITURLDO-FUHWJXTLSA-N 435.550 1.105 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1760707320 MCDFNOPIYNYZCQ-KGLIPLIRSA-N 434.522 1.171 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](c1ccsc1)N(C)C 1761463119 FMYIXLYLOBVTBX-DZKIICNBSA-N 439.611 1.991 30 10 IDEE CC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1765185899 NNEXUIOSMKSJSS-WMLDXEAASA-N 434.522 1.360 30 10 IDEE COC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769195432 SJCBVXNOAMASTM-QGZVFWFLSA-N 438.536 1.390 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1769994275 IKJSZSODCYPIII-FVJLSDCUSA-N 446.531 1.847 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCSC1 1770043909 JYDZBPUWKANWOO-MDYRTPRTSA-N 436.582 1.047 30 10 IDEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1c(C#N)cnn1CC(F)(F)F 1851697225 KRYXKGWBSYHDSO-UHFFFAOYSA-N 425.371 1.342 30 10 IDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1 1852054628 AEFHLVORAFYSNN-ZIAGYGMSSA-N 429.912 1.631 30 10 IDEE CC(C)(C)[C@@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1852942386 DGKQGTDESUORRD-LJQANCHMSA-N 448.589 1.716 30 10 IDEE N#CC1(c2ccccc2)CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCS(=O)(=O)C3)C2)CC1 1855839898 KAEKHUJOFMAMJM-MSOLQXFVSA-N 429.542 1.354 30 10 IDEE C=CCC[C@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)CC1=O 1856005382 WBLGUOZVSNJADQ-LSDHHAIUSA-N 439.500 1.616 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN1CCOC1=O 1857016649 LCKQHGKMDHMNNC-HNNXBMFYSA-N 433.486 1.284 30 10 IDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N2CCC(C(=O)OC)CC2)cc1 1860635201 WPGYVYVHVLJMAU-DHZHZOJOSA-N 430.501 1.928 30 10 IDEE N#Cc1cc(Br)c(NC(=O)[C@H](N)CCCNC(=N)N)c(Br)c1 1866116286 YQTYYBNBKRQOAW-SNVBAGLBSA-N 432.120 1.612 30 10 IDEE N#CCc1[nH][nH]c(=NC(=O)c2c[nH]c3c(I)cccc3c2=O)c1C#N 1866446115 WOPISFVLAJUXKE-UHFFFAOYSA-N 444.192 1.468 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2C)c(=O)cc1CN(CCO)CCO 1870761154 QDOJMAIJUDDXEU-UHFFFAOYSA-N 429.517 1.455 30 10 IDEE C=C(Br)CS(=O)(=O)N(C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCOC1 2006228992 XCYIXCQBJCRPFZ-GFCCVEGCSA-N 425.345 1.935 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2124709701 PZSWBCUAFNMFAW-CYBMUJFWSA-N 446.323 1.952 30 10 IDEE C#CCCN1CCC[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2204035521 BPTQOQBDMGNOAG-SFHVURJKSA-N 431.558 1.860 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2243389093 GJZQZIMLQPSSGE-LLVKDONJSA-N 425.316 1.723 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248401358 HYQBYGFMDIWFDG-NWDGAFQWSA-N 438.359 1.891 30 10 IDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2248404891 NNHXKYNMBXOQPS-HNNXBMFYSA-N 440.371 1.891 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2248419549 CHRLKPKHTJQTDE-LBPRGKRZSA-N 438.359 1.891 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254795172 HKKHSZIHUPVTCZ-UONOGXRCSA-N 437.321 1.984 30 10 IDEE Cn1cc(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255611319 SYWGBMLBQDMLHE-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255629449 VUOFYIUBTLGRSI-CURUXHCOSA-N 432.330 1.885 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)n1 2255651665 YVXPXMOEAVKTFZ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255801095 YBZWMEMQVOTWIM-UHFFFAOYSA-N 448.272 1.178 30 10 IDEE C[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255808930 PYOQZBSSJFYGJE-GHMZBOCLSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255851680 UHUGYZARHSDLSA-UONOGXRCSA-N 436.314 1.991 30 10 IDEE C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255948585 MXLUXZNRBSSEFV-MRXNPFEDSA-N 449.382 1.681 30 10 IDEE COC1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CN(C(=O)OC(C)(C)C)C1 2256654594 RYOOTKVIRPHJLJ-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256938284 RZIIZFWBTIWFTR-KRWDZBQOSA-N 428.294 1.894 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)[nH]n2)OC1(C)C 2267143303 GMXDRCRWZKIFHR-OALUTQOASA-N 438.337 1.434 30 10 IDEE Cn1ncc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267509465 WITZQWVQTQHNMF-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267827420 UTCYVAILOTYURN-BZSNNMDCSA-N 449.357 1.321 30 10 IDEE Cn1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)cc1B1OC(C)(C)C(C)(C)O1 2270600576 RYMLRLQJUFJERS-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)ccc2F)OC1(C)C 2282872999 FGUSCKKRKXBNRG-MRXNPFEDSA-N 427.303 1.699 30 10 IDEE COc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 2322659651 JZZXMTSBJCNMFK-GFCCVEGCSA-N 441.307 1.820 30 10 IDEE Cn1nc(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2334270760 PPSLSIDWMXXPOY-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 429551176 XCUDKONSYWOALZ-UHFFFAOYSA-N 430.896 2.498 30 10 IDEE COc1ccc([C@H]2NC(=O)N([C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)c(OC)c1 431598110 WWXCIPZUTDSSIL-UYAOXDASSA-N 434.452 1.969 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@H]2CCCO2)cc1 462431311 WJYUYERTEHYYGP-GOSISDBHSA-N 434.521 1.517 30 10 IDEE COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 464810855 GPDPPEVRCNWMMV-AZUAARDMSA-N 443.548 1.947 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)s1 477013942 UUSZSPOEAUVYLI-UHFFFAOYSA-N 441.509 1.890 30 10 IDEE Cc1ccc(S(N)(=O)=O)c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 502960193 GZIHJYNLYZLQLM-INIZCTEOSA-N 430.511 1.668 30 10 IDEE CCOC(=O)C1(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOCC1 505232893 YRMNDPZHZFXCOW-UHFFFAOYSA-N 428.445 1.815 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1 537291884 YOROCMGYOJFYNU-HMXCVIKNSA-N 427.524 1.525 30 10 IDEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCS1(=O)=O 545194252 XRABHCWFHBDHSV-HZPDHXFCSA-N 434.562 1.475 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 609350537 ZYEAOBBHFXYKBU-HNNXBMFYSA-N 447.507 1.642 30 10 IDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(c2ncccc2C#N)CC1 619510047 GILWYVSAFBRLBL-MRXNPFEDSA-N 442.545 1.353 30 10 IDEE C=CCOc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 683123711 BTIBBPUQTTXEBT-SFHVURJKSA-N 437.544 1.828 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)ccc1F 731465239 WZCYUMPZMHOXPV-SFHVURJKSA-N 433.505 1.719 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 732465450 FIFCXCDOCJGFBZ-ZPHPHTNESA-N 446.895 1.622 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795673 RWCYLIFDVXURJT-RDJZCZTQSA-N 428.558 1.984 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732798074 WZNLUUUGVXTUMQ-UHFFFAOYSA-N 442.541 1.513 30 10 IDEE COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 746877216 KAXDUWHMUGWYDR-UHFFFAOYSA-N 431.518 1.326 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1OC 752062969 VUTRXCQIWIXPII-QGZVFWFLSA-N 446.504 1.720 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc2n1CCCC2 753970932 HAEADOZUYFCOBA-INIZCTEOSA-N 444.561 1.571 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@]1(C(=O)O)CCOC1 757470097 ANDCJGJSPSUHLE-DEOSSOPVSA-N 434.448 1.888 30 10 IDEE O=C(NCC#CC(=O)N1C[C@@H](O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 757471573 SGNDAEYCXJHXNO-BTYIYWSLSA-N 434.448 1.575 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1COC[C@H]1C(=O)O 757472117 UQOVWQMDYOYRCQ-RTWAWAEBSA-N 434.448 1.744 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)c(C)o1 767954369 BXFRISYEOOVVHA-UHFFFAOYSA-N 443.569 1.570 30 10 IDEE C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 771599397 KDAGHNNEXKRIQI-UHFFFAOYSA-N 432.454 1.654 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781654952 WVRVGRRKBJFNFF-UHFFFAOYSA-N 449.532 1.963 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1ccc2c(c1)OCO2 783958199 SAXZYAWCPKNGHS-UHFFFAOYSA-N 445.485 1.902 30 10 IDEE COC(=O)[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1c(F)cccc1Cl 785023146 ATWGRADTMQKVOS-INIZCTEOSA-N 440.836 1.975 30 10 IDEE O=C(C1CC1)[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 788207408 YAFQILOOPJCIFX-QGZVFWFLSA-N 433.530 1.492 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C(=O)c2c(F)cccc2S1(=O)=O 799312637 WREMLQQNDRVOCQ-UHFFFAOYSA-N 448.476 1.935 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@H]1CCCO1 917768325 JVBQPMNRGUJYFI-CQSZACIVSA-N 432.571 1.273 30 10 IDEE CCNC(=O)[C@H]1CC(=O)N(CC(=O)OCC)C(=Nc2ccc(C(=O)OCC)cc2)S1 1084355476 BUGDWTJNKBORSI-OAHLLOKOSA-N 435.502 1.884 30 10 IDEE C#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1 1129225773 ZNOXUPLIKGEJMP-UHFFFAOYSA-N 427.526 1.685 30 10 IDEE C#C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 1131256706 FFKHZLBABKGNPE-RTBURBONSA-N 435.502 1.683 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)ccc1F 1137620187 TZYHCHLAVCGVIQ-LBPRGKRZSA-N 428.404 1.038 30 10 IDEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCCN(O)C1=O 1141463470 MXQZVHQKRQGOIZ-HIFRSBDPSA-N 447.351 1.539 30 10 IDEE CCO[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1165241638 UJJZLYFCUUZFKU-QZTJIDSGSA-N 430.505 1.676 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@H](O)CC4(C#N)CCC4)C3)[C@@H]2C1 1197231038 TVZNDWBTLVWXFU-MLHJIOFPSA-N 434.537 1.946 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(c3nc(N)ns3)CC2)ccc1Br 1210801321 BYDIOTOLSZJFHA-UHFFFAOYSA-N 429.325 1.265 30 10 IDEE N#C[C@@H]1CN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCN1Cc1ccccc1 1230308218 IAYPNDYDJZOLPO-MOPGFXCFSA-N 440.525 1.641 30 10 IDEE COc1ccc(C2=NO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1C 1235499009 VPXNLVIPFWQWSC-RZQQEMMASA-N 432.502 1.076 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3ccc(OCC#N)cc3)ncnc1-2 1251664034 GKTJLSGHJRJEOW-UHFFFAOYSA-N 445.281 1.635 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1286322013 CCKAOOWEBFCTIG-DLBZAZTESA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1286387711 UOAZSUNGUWTLNR-KKSFZXQISA-N 448.520 1.516 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1286390628 CTEJDHIIIMRVFU-FQEVSTJZSA-N 436.541 1.528 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1286425326 XRHUWLKLGPSLQP-UHFFFAOYSA-N 434.544 1.581 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCC2)nc1 1286432405 IZJZMQRGWCPHQT-UHFFFAOYSA-N 431.544 1.907 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCn1cncn1 1286454769 PFFIEXRVFKAMDQ-UHFFFAOYSA-N 445.462 1.996 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286564493 GQQYXDLUAUHVSR-KGVIQGDOSA-N 433.553 1.613 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286592501 ITZWUEFCFLGZPN-CQSZACIVSA-N 435.510 1.703 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1286614647 VVNUDOYBCDKZCP-PXNSSMCTSA-N 442.582 1.536 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1286782949 IKWATHSJEGMPLV-GOSISDBHSA-N 426.565 1.967 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](F)COC)C1 1286807471 CBHLRFOMFKZSAW-HOTGVXAUSA-N 442.495 1.958 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)c1cccc(C)c1 1286815784 ARQGAQMGBMBBJU-HNNXBMFYSA-N 441.579 1.565 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(C)(OC)C1 1286817332 SSLOOADTXQSDGQ-UHFFFAOYSA-N 436.534 1.788 30 10 IDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)cc1C 1289358364 MHCYCYNVAKEOOZ-SFHVURJKSA-N 430.530 1.966 30 10 IDEE C[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1291116431 MTTOHKCBKRYSLI-MYDZZUQKSA-N 427.509 1.382 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(CCOC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296662384 QCXBFEWQBKBBCI-NRFANRHFSA-N 430.509 1.212 30 10 IDEE C#CCC[C@@H](O)CNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1296955615 CSZWTGPCTJNQQG-QWHCGFSZSA-N 427.452 1.902 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300441489 PSZBUECBPLNTSH-HNNXBMFYSA-N 445.364 1.388 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300654741 FPRSTNPPQBHQEA-QGZVFWFLSA-N 447.561 1.321 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300769902 LLPFQYGKVNDUEW-GOSISDBHSA-N 440.529 1.046 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C(C)=O)CC1 1300779464 WYOJDENGPIMEAR-HSZRJFAPSA-N 443.596 1.353 30 10 IDEE COC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1301026383 LWQDRXCPRLEONX-IAGOWNOFSA-N 446.502 1.985 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CCO1 1301902342 HLFUNVHSCMORDC-FQEVSTJZSA-N 434.504 1.248 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1305116483 GBMVIBAUBDNJRI-HNNXBMFYSA-N 442.545 1.308 30 10 IDEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(CC(=O)N(CCC#N)CCC#N)C2)cn1 1308012280 LNVFVYUAJCMHAU-QZTJIDSGSA-N 428.537 1.823 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1314564111 NYAQVSXVQYFXOB-KEEVHDRGSA-N 428.518 1.616 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1 1314875065 CYLMQXHZMQQEIX-HXUWFJFHSA-N 448.549 1.283 30 10 IDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CCOCC2)CC1=O 1314926081 KMKHSGJILVLRAI-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)c(OC)c1 1315424234 RGGZEQAINAMSPM-HRAATJIYSA-N 429.477 1.497 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1316265308 XTLNWUAJKNTODE-PMACEKPBSA-N 427.505 1.864 30 10 IDEE Cc1cccc(F)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1319136489 BQYDPLTWLBHVNQ-UHFFFAOYSA-N 445.472 1.696 30 10 IDEE C=CCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1355137275 QPOJIBMXVLTGSI-UHFFFAOYSA-N 444.557 1.457 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1358889423 BQVXFWPNHDBYEF-WMZOPIPTSA-N 449.602 1.861 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358896074 WSBHBWJBTJAKRT-HUUCEWRRSA-N 428.459 1.122 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CC1 1359036001 KFRPHNUEZNGGSD-KRWDZBQOSA-N 433.965 1.637 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359062705 QFYHOTPVWHFOFP-FUHWJXTLSA-N 443.577 1.894 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1C1(c2ccccc2)CCC1 1359305860 PDEJQYNCCZUIBQ-KDURUIRLSA-N 425.533 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359330960 ICSSVZARQBAZGY-ROUUACIJSA-N 430.578 1.922 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1360113351 XTCLKCUEWGVSEX-QHCPKHFHSA-N 437.548 1.785 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)nc1 1443093143 WKOOKUPLHJBVOJ-UHFFFAOYSA-N 435.484 1.422 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c1 1468924407 AOGKJGKFJWJIRR-UHFFFAOYSA-N 431.445 1.874 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC)C(=O)OC 1472610356 ZHPYNGJZGXCINZ-MRXNPFEDSA-N 436.534 1.650 30 10 IDEE CCOC1CC(O)(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)C1 1502955631 FJWIWHGMHVDZQM-UHFFFAOYSA-N 438.532 1.952 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503560860 DKHLYEZXRWWSNT-RJCBAWPRSA-N 430.509 1.171 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC[C@@H]2CCOC2)c1 1505313711 DXRCYUPQELTBGX-ICSRJNTNSA-N 438.532 1.962 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN(C)S(=O)(=O)CC 1507604225 YXWIWSKCBQIKHB-UHFFFAOYSA-N 443.371 1.777 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507659302 ZPJYOOJREMUELP-PMACEKPBSA-N 426.565 1.476 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1507669983 WWNFLHNDJCDDFA-GOSISDBHSA-N 449.540 1.272 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCc1ccco1 1507685669 UNIUOYOUKVITHD-UHFFFAOYSA-N 431.460 1.290 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O 1507765060 HQSQAEWHOOOWPU-OAQYLSRUSA-N 443.577 1.757 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507848380 JPYAYLSOKSTXFP-BZSNNMDCSA-N 437.541 1.872 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1508059856 ZSGGPWSEMZKHDQ-HNNXBMFYSA-N 443.570 1.643 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1508071894 NHDOHIMTRVOSML-MJGOQNOKSA-N 438.532 1.783 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1508144409 PYSNRESMXYDJNN-GOSISDBHSA-N 446.577 1.169 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(N)=O)CCOCC1 1509004175 SMPMMJYNZWHRKU-UHFFFAOYSA-N 438.536 1.277 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCOC1 1511971112 NKTCFBNXCBSBGH-MJGOQNOKSA-N 438.532 1.927 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(C)CN(C)C1=O 1513021642 YRXQZZROVINSDK-OYHNWAKOSA-N 439.568 1.510 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC[C@@H]1CCCO1 1513918434 QTBDWLWKHIUWIS-SFHVURJKSA-N 442.568 1.666 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1517609068 PUFGOOJPPAEGQV-UHFFFAOYSA-N 429.550 1.394 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1519389330 HJGOSOMYSYTWGB-NRFANRHFSA-N 440.548 1.781 30 10 IDEE CN1CCn2nc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)cc2S1(=O)=O 1520600529 WAUGWKMMVAGICZ-ZDUSSCGKSA-N 429.380 1.410 30 10 IDEE C#C[C@@H](NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 1535484038 VLYPFFHNTSXURJ-RKYPPNDESA-N 431.286 1.792 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1539015272 OSFNVFWWYCZGNW-HKUYNNGSSA-N 431.562 1.702 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539229709 HKJFZRHWBBYASQ-IBGZPJMESA-N 443.573 1.215 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1539289533 NXKUWNZOEBFZHU-UHFFFAOYSA-N 427.892 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(C(N)=O)CCOCC1 1539289970 PFWMFXCUFDLYKD-UHFFFAOYSA-N 435.528 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1539326407 VJOHEKRXMKYERZ-GOSISDBHSA-N 434.562 1.229 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1539396959 VRUGJZGVFMDNIF-IRXDYDNUSA-N 449.581 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1539483431 YYNQVZWSHKUWOY-MHECFPHRSA-N 436.560 1.781 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1540074501 ZCTYNDHDPTUOIO-GOSISDBHSA-N 431.562 1.687 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C)C1CC1 1540107766 CQPVMKTWCQEGEN-KNBMTAEXSA-N 439.582 1.317 30 10 IDEE C=CCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1540860956 VXDHKFGVRSSIIZ-LJQANCHMSA-N 427.571 1.367 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2CC)C1 1540890161 AWMMPDUJSSQBFJ-YJBOKZPZSA-N 427.553 1.917 30 10 IDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCOCCS(C)(=O)=O 1541370882 NTUKNSFJGVVGSH-LJQANCHMSA-N 447.561 1.912 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NCC2CC2)CCOC1 1541723900 KFZQGEQAAOQJPB-JOCHJYFZSA-N 430.553 1.975 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@](C)(O)c1ccco1 1541925355 AZZUMRSUOSJQKU-KUHUBIRLSA-N 436.538 1.519 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)cs1 1542926018 NREKGONANWFXKC-LPHOPBHVSA-N 433.607 1.800 30 10 IDEE COc1cc(N)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1S(C)(=O)=O 1543376826 FGRQWVDMEAISQX-MRXNPFEDSA-N 428.514 1.531 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1547193116 IVYNOPIKSWEZFU-KSZLIROESA-N 436.582 1.173 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1552718851 PAHWDJIXBYPWMD-GOSISDBHSA-N 438.536 1.244 30 10 IDEE COCCN(CC#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1556908712 YNRQTZYFEHMEAH-AWEZNQCLSA-N 444.351 1.848 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1586612679 ZCHGVXNABUMKOQ-IBGZPJMESA-N 428.338 1.804 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1587808639 URPJAIMTGUTISH-WBVHZDCISA-N 432.525 1.182 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1588064737 OCOABJXRRCJRKZ-MOPGFXCFSA-N 427.530 1.583 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1588128982 WGGMJDSETZTNPI-XMMPIXPASA-N 446.511 1.289 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCCC2)CC1 1588865382 WIQZQFBAIOBYJP-FQEVSTJZSA-N 427.597 1.276 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(C)nn2C)CC1 1588891358 OKFXFUASEYZPDH-QGZVFWFLSA-N 443.552 1.058 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1589070231 QWPJZKQLZWIZCD-QZTJIDSGSA-N 438.619 1.800 30 10 IDEE C=C(Br)Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1589459722 CXKOZXOWCSWHBU-UHFFFAOYSA-N 441.374 1.657 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1 1589568507 JYWOIHCMYKFCHH-OXQOHEQNSA-N 438.523 1.769 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1594498360 UFLDGUHKTMWVLX-MSOLQXFVSA-N 448.593 1.884 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594669165 PUGKBDVQDGYTHW-QUCCMNQESA-N 445.612 1.761 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1595386767 DTMZIPFRSMYVJB-UHFFFAOYSA-N 436.538 1.442 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2)C1 1595673590 IFXHODWOFXDMIR-BLIXFSHQSA-N 449.577 1.577 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NC[C@H]3CCCN(CC#N)C3)nn2)C1 1610951991 IJYDUCKMMXIPNC-SJORKVTESA-N 431.541 1.815 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCO[C@@H](C#N)C2)C1 1614906121 VKLXMWUUKZRUJR-VBKZILBWSA-N 425.482 1.085 30 10 IDEE COCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619847404 PXJIEERHGXKTCW-SFHVURJKSA-N 428.541 1.796 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1619912858 NWILCKYLRPCPIY-QGZVFWFLSA-N 439.582 1.896 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1627475664 LMGMNBCWKXHNML-VXGBXAGGSA-N 447.410 1.606 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC 1631305033 IBENVIVZVZOXFJ-RDBSUJKOSA-N 432.901 1.976 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1637186716 XQNHBTBVLPGURM-IRXDYDNUSA-N 440.587 1.976 30 10 IDEE COC1(OC)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@H]1O 1639790305 DUAKGSJGIABRGP-MOPGFXCFSA-N 445.516 1.975 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CC(=O)N(CC)C3)nnc12 1641581522 BDGNJRJHCCFPJS-ZDUSSCGKSA-N 426.502 1.059 30 10 IDEE COCCN(C)CCN1C[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1=O 1642000401 HYLOKGUNKNCICV-IBGZPJMESA-N 445.539 1.209 30 10 IDEE Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC#CCN1C(=O)c2ccccc2C1=O 1643574103 XOSRWRNHBQVGQU-AWEZNQCLSA-N 444.538 1.184 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C3CCOCC3)C3(CO)CCC3)CC2)o1 1646336559 MZBJROWQFWMHNC-FQEVSTJZSA-N 431.537 1.051 30 10 IDEE C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1c1cnccn1 1648664670 DMZPZXQADRNYBG-RXVVDRJESA-N 437.523 1.535 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC4(CCNC(=O)O4)CC3)C2=O)cc1 1652991763 KUIBNWJRMRWOLV-INIZCTEOSA-N 425.445 1.254 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986011 GXARYEOPTZCWPV-CQSZACIVSA-N 435.937 1.313 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1690101237 SYZWPBOFICKBOR-VZCXRCSSSA-N 435.488 1.261 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1690464441 BRTKMPHGCYAJEV-FXAWDEMLSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690675978 LNPFPFNGTKCWEZ-YZGWKJHDSA-N 436.516 1.892 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1691550460 FMRUKHZRCBCHPG-JOCHJYFZSA-N 426.521 1.694 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695499686 LAAVBTQPPBFAIZ-UHFFFAOYSA-N 442.483 1.830 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1695867419 APHAOMKKXIWXSS-WMZHIEFXSA-N 442.612 1.670 30 10 IDEE CCNC(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1695919902 GQXULBGZXKNXBQ-OAQYLSRUSA-N 427.553 1.837 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1698311520 BQSGCFJXTPHTSH-UHFFFAOYSA-N 440.533 1.185 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1705586248 BGESJFGAWKKVJD-UHFFFAOYSA-N 435.528 1.394 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705617079 MAYCYLRLSNMTCX-LJQANCHMSA-N 445.589 1.813 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)CCOC)CC1 1705637414 WMNMDTIGCNKULX-JOCHJYFZSA-N 427.505 1.217 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)c2nccs2)CC1 1705649337 UAPLJDHAODTWRS-HNNXBMFYSA-N 438.561 1.905 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccn(CC)c1=O 1705668673 RDIWMBQPHPQWFF-MGPUTAFESA-N 432.550 1.110 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705673612 GHFQMHNLBUSYEV-RTWAWAEBSA-N 430.530 1.495 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1705876268 SUJATCNBFLASAJ-KRWDZBQOSA-N 438.598 1.274 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCOC2(CCOCC2)C1 1705896432 MNXGVGFMUOADAJ-UHFFFAOYSA-N 427.505 1.642 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705932202 OSUDDAMQZWGHJI-ROUUACIJSA-N 435.550 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1705934542 OYFYDYVFBMTSQG-OAHLLOKOSA-N 444.561 1.846 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCCC2)c1 1722309757 PNOLHQIJBPZKRY-FQEVSTJZSA-N 449.559 1.771 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1722460442 FYMNNFYKHFHURK-HXUWFJFHSA-N 443.573 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722725544 NAFAATOUXUFDOP-AWEZNQCLSA-N 437.953 1.866 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1722870722 WDACJOAHZGYRCO-CVEARBPZSA-N 449.556 1.707 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726909762 RFYYXONWAAMWFQ-XWOXCUHHSA-N 432.525 1.558 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1729203551 FHBWVDVCSARSFC-CRAIPNDOSA-N 433.534 1.492 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1CCCO 1730946944 QZMDBSVIEDGRRY-NYUBLWNDSA-N 436.532 1.291 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(=O)OC)CC1 1740542374 URZBBUAOUNLEAU-INIZCTEOSA-N 449.519 1.857 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740622870 KCYLUOBTMYSWHV-QGZVFWFLSA-N 430.534 1.179 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740627353 GQIDLODDYMSNSA-NVXWUHKLSA-N 436.509 1.658 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1740640575 QDRHLNBGFVYOAV-FQEVSTJZSA-N 441.557 1.235 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1740646948 MDDNISXHTOKNLK-FDDCHVKYSA-N 427.549 1.696 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2csc(CC)n2)CC1 1740703888 CQXDGOYQHYLHJJ-UHFFFAOYSA-N 438.561 1.712 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCSC2)CC1 1740707045 MQXICLBMYOFRAD-JOCHJYFZSA-N 440.573 1.098 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1740710364 YGDWSJLIMFNJIB-WBVHZDCISA-N 441.623 1.508 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740750622 DQNTXODAYSERIE-JCECYMMASA-N 441.598 1.731 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1740752263 VCIMVOAMFIVHIW-ZACQAIPSSA-N 436.582 2.000 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1740899333 LLNNDKIDAUJXMT-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1740958445 AZNGLFPFHGQIEP-OAHLLOKOSA-N 437.504 1.202 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1740959029 IYLLWWNKWTVLQU-UHFFFAOYSA-N 444.561 1.359 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740990496 BFISMIZDEYPFDV-LJQANCHMSA-N 442.607 1.552 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1741123546 FORDBRNUQJVAKC-KURKYZTESA-N 431.585 1.998 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H]1COCCO1 1743753935 PWUDRYCBKKPXQO-OKZBNKHCSA-N 440.552 1.974 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCOC1 1744751245 NCTYXZJYKNJATP-AZUAARDMSA-N 438.532 1.975 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1748697886 ALAJTFSIIUQGFR-FUHWJXTLSA-N 449.581 1.486 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1748821944 WUMWSBMVDRXPJL-IBGZPJMESA-N 441.557 1.199 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1748971458 QIMSWGUNUCOAEQ-SFHVURJKSA-N 444.580 1.495 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cc(C)cn2)CC1 1748994437 HGPXAYOKULHOJC-UHFFFAOYSA-N 438.561 1.230 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1749114314 ABGYJQAPHPSFAM-HKUYNNGSSA-N 432.569 1.846 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749131823 WCHGVHMEVMGYJK-QFBILLFUSA-N 425.599 1.976 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749237452 NXLQFSKKDCKCBM-BMQTXXJKSA-N 435.525 1.099 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1749729703 OTLOHDKUKPVJBO-KRWDZBQOSA-N 448.593 1.770 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1750203323 CAJCMWYDLNOSSJ-HZPDHXFCSA-N 431.474 1.366 30 10 IDEE CC1(C)COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1751300067 CJAZLGVEKBODBW-UHFFFAOYSA-N 444.561 1.162 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(CS(C)(=O)=O)CC1 1760123047 XONDWFXCNYMMPD-AWEZNQCLSA-N 435.575 1.552 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760137204 GRFHMNPKKACEST-KRWDZBQOSA-N 429.525 1.437 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760190112 YFESDVGHDPIXOP-SJLPKXTDSA-N 435.594 1.867 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](F)COC 1760219116 VJXAVWBQZBJACJ-LJQANCHMSA-N 425.512 1.900 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(OC)CCOC1 1760246424 YCYCQENOSMJPPP-JOCHJYFZSA-N 428.489 1.608 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)CC1 1760261057 GJLMTINUDONFHY-VQTJNVASSA-N 448.637 1.200 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@H]2C)CC1 1760265192 RASWKYOVAWLERJ-MJGOQNOKSA-N 442.564 1.153 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760330262 WUICKAFDWJKSAE-QFIPXVFZSA-N 434.585 1.497 30 10 IDEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNS(C)(=O)=O)CC1 1760401014 XDUYACRGOJSMOK-UHFFFAOYSA-N 443.533 1.546 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1760464496 INOKRRIIVMHWAH-GOSISDBHSA-N 431.562 1.747 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1760522950 HXALPMIXQDMNED-KRWDZBQOSA-N 438.532 1.981 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760523584 CCMZFEBYYXNEBF-ROUUACIJSA-N 445.568 1.057 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1c(C)nn(C)c1C 1760525883 VKFMQLHDGNTDNP-UHFFFAOYSA-N 447.547 1.806 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760685301 SAVDJERODBOMTG-FXAWDEMLSA-N 437.548 1.928 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760685318 SNSFVEKQASDOEU-LJQANCHMSA-N 441.511 1.699 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1760688280 FBLWFMMHVPFXPT-MNOVXSKESA-N 428.506 1.780 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCCC1 1761234207 HCWZQNAMVATNRY-UHFFFAOYSA-N 438.536 1.315 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](Cc2ccccc2)OC)CCOC1 1765921364 DJBBRUVIIYSBMK-MIZPHKNDSA-N 441.532 1.917 30 10 IDEE CN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1766951405 IUYVSSJUCIRAAB-ZPHPHTNESA-N 436.476 1.441 30 10 IDEE CN(C)c1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1768494734 SYMJOMMKIOXVNO-UWJYYQICSA-N 446.552 1.931 30 10 IDEE COCC1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1769458068 DPWULTVRCIJAGN-VZCXRCSSSA-N 437.504 1.729 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCOCCCO)CCN1C1CC1 1771537038 GOIRCSIVTQQRBN-IBGZPJMESA-N 428.512 1.584 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2=O)cc1Cl 1850793626 BSBXNZINAVJUOA-LLVKDONJSA-N 433.873 1.967 30 10 IDEE C[C@H]1CC(=NC(=O)[C@H](Cc2ccccc2)NS(C)(=O)=O)NN1c1ccc(Cl)cn1 1851177396 MVGCFCDGWPIGEV-BBRMVZONSA-N 435.937 1.924 30 10 IDEE C[C@H]1CC(=NC(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)NN1c1ccc(Cl)cn1 1851774712 WMZHQOVUVSUYQD-STQMWFEESA-N 425.942 1.968 30 10 IDEE N#Cc1cnn2cc(CCCOCS(=O)(=O)N3CCOCC3)c(C(F)(F)F)nc12 1853363758 HOAXNHZBQXLGCY-UHFFFAOYSA-N 433.412 1.188 30 10 IDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1854090066 SUXUWTWEVANWGP-IBGZPJMESA-N 429.542 1.519 30 10 IDEE C[C@@H](C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC(C#N)CC3)ccc21)[C@H]1CCOC1 1855862484 OHWLYJKBXJCYID-ZBFHGGJFSA-N 431.514 1.699 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cn3ccc4ccccc43)C2)CC1 1857062308 HZEHMDUOLIGQPI-SFHVURJKSA-N 428.514 1.582 30 10 IDEE CN(C)C(=O)[C@]1(F)CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1857327188 QOOBRVMJXSBJDX-BTYIYWSLSA-N 434.899 1.897 30 10 IDEE CC(=O)N1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868774305 DQBOIHBNQMCHGK-SFHVURJKSA-N 445.589 1.610 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN(CCO)Cc1ccccc1 1870582207 WXBWZUZXGUFUAX-UHFFFAOYSA-N 441.528 1.266 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 1889658207 OLUPTAIHKJGPMM-UHFFFAOYSA-N 435.590 1.506 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(OC)c3OC)CC2)CC1 1890228824 FBNDAPODMWDNPM-UHFFFAOYSA-N 429.561 1.966 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2085301894 WMGPAPAUWYNKNU-KNCOVGOOSA-N 437.346 1.696 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCO1 2124533303 OCKCNEGVWFDCSO-OAQYLSRUSA-N 448.329 1.788 30 10 IDEE N#CC1CN(S(=O)(=O)N[C@H]2COC3(CCN(C(=O)OCc4ccccc4)CC3)C2)C1 2174786552 KWHBWXMMSUTVKO-GOSISDBHSA-N 434.518 1.236 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243407285 PBKHQIYJOCYMGK-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602522 UIJODFRYPMYHJN-KBPBESRZSA-N 434.346 1.942 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255625142 NFALNNVYOGILLB-CQSZACIVSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)NCc1nnc2n1CCN(C(=O)C#CB1OC(C)(C)C(C)(C)O1)C2 2255655820 RMRPMNMGYSETDF-UHFFFAOYSA-N 431.302 1.280 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255694253 MOZFLWYQYHLWKR-CQSZACIVSA-N 432.330 1.905 30 10 IDEE Cn1ncc(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267003755 TYLXCTPCFYXGJT-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267013054 DWVUTPVTSMVTBN-PQEBFOHHSA-N 448.325 1.989 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21 2267176628 CEAUXPDBOJYAMD-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267265369 FDBJBCLEPDLZJG-UONOGXRCSA-N 449.361 1.490 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 2267270583 MDRTVQGTZJNPHY-DOTOQJQBSA-N 449.357 1.424 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267290307 BCEVXTHGTZLNFY-XHSDSOJGSA-N 448.325 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2267570577 WFBOMBQMCYWJLT-IRXDYDNUSA-N 447.341 1.774 30 10 IDEE CO[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2267589167 WMBSKCSTLBGWMX-IRXDYDNUSA-N 447.341 1.745 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CSCCS2)OC1(C)C 2282841686 WUWBWEWTDJNWPI-LLVKDONJSA-N 436.455 1.710 30 10 IDEE C#CCCN(C1CCOCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286015994 JXTKJGUFBPZITO-SFHVURJKSA-N 438.502 1.200 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2315532581 UOYDNPZECITJGA-YEJXKQKISA-N 432.330 1.459 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)c1 21318967 RUENBCQBZLXNSG-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 27559675 ACASHQBAXCVCEB-UHFFFAOYSA-N 438.532 1.476 30 10 IDEE C/C(CC(C)C)=N\Nc1nnc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)[nH]1 253573160 RCCUIIYMGNKFML-PXLXIMEGSA-N 438.602 1.400 30 10 IDEE COCCN(CCC#N)S(=O)(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 409570153 JWYQYHNXADYFOC-UHFFFAOYSA-N 435.472 1.766 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C 440379146 LRSSQRDWEDRYLP-OAHLLOKOSA-N 448.504 1.326 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F 441899825 KGOOZENVGPPHIN-ZDUSSCGKSA-N 432.481 1.040 30 10 IDEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 463352703 UQFGHVHJHUSADB-QGZVFWFLSA-N 442.545 1.595 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)o1 480963719 WXUMKQQWIRBFQN-UHFFFAOYSA-N 437.521 1.975 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 482815283 MYEXTMNYBGARRW-RDJZCZTQSA-N 428.514 1.629 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)c1 505571162 VSYATZMDLYOVJG-UHFFFAOYSA-N 442.472 1.488 30 10 IDEE Cc1noc(C)c1[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506655926 YPLGPIQFMIULDW-CQSZACIVSA-N 431.518 1.983 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCN2CCOCC2)c1=O 523180998 RAXJMDJCGUVHBN-UHFFFAOYSA-N 439.581 1.669 30 10 IDEE COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 539878877 NCDSKJLNVIHJNL-FQEVSTJZSA-N 428.514 1.962 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 542409224 UCFSUNOFXFSIMF-PMACEKPBSA-N 432.484 1.943 30 10 IDEE Cc1csc([C@@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 544478093 SLJYREUUURLSJJ-OAHLLOKOSA-N 433.559 1.507 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCN3CCN(Cc4ccccc4)CC3)CC2)n1 544840070 RNUFGZVUOYEPAB-UHFFFAOYSA-N 433.560 1.603 30 10 IDEE COc1ccc(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1Cl 546153353 SBNHIRRWWYAZQR-UHFFFAOYSA-N 447.900 1.936 30 10 IDEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 555314101 KHEBDODKLMJZTP-UHFFFAOYSA-N 448.531 1.664 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)CC1 736546067 GUDZVYXHPFGDTA-ROUUACIJSA-N 432.521 1.696 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)CC1 736546068 GUDZVYXHPFGDTA-ZWKOTPCHSA-N 432.521 1.696 30 10 IDEE CCOc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)c1 751930018 SKXHVLDBXHDOOY-PBHICJAKSA-N 449.577 1.219 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 754940349 IZGZCFYFNPYFPM-QGZVFWFLSA-N 442.520 1.118 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn3ccccc23)c1=O 758050703 SLLDVYOEZUMRJU-UHFFFAOYSA-N 428.448 1.716 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774055133 XKHJRPGQSGIYSD-INIZCTEOSA-N 425.532 1.029 30 10 IDEE C=CC[C@]1(C(=O)O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 784942332 IYGONZPBYDAZPT-AUSJPIAWSA-N 444.550 1.567 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 788815253 OANHJQKUECFWPY-LJQANCHMSA-N 444.557 1.592 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1Br 798429710 JDKPPCSKLGYAKW-NSHDSACASA-N 426.741 1.914 30 10 IDEE COc1ccc([C@@H](CNC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)N2CCCCC2)cc1 798744910 NNPAOZVAXGMFGI-VQIMIIECSA-N 440.504 1.606 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 805786467 RKYAQCVGWNEYGP-QGZVFWFLSA-N 430.486 1.807 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 919753824 PZHIGLBSJHUVKP-QGZVFWFLSA-N 447.520 1.856 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc3c(c2)NC(=O)CN3C)cc1 1125135910 OQOKQYJNQAOJHB-ULJHMMPZSA-N 442.501 1.535 30 10 IDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1132004453 FWXQDMVEQXDQQV-HNNXBMFYSA-N 433.461 1.880 30 10 IDEE C[C@@H](CC(=O)Nc1ccc(N2CCNC2=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1135909051 ZSGBTBMRCBSBBV-ZDUSSCGKSA-N 427.486 1.672 30 10 IDEE C#CCN(CC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)C(=O)OC(C)(C)C 1146206510 HWIQUYUJBTVVKR-FQEVSTJZSA-N 440.544 1.806 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 1175933573 RHFJWWPMOWXQRB-NRFANRHFSA-N 448.608 1.550 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)ccc1F 1180510366 JGNZAVMTUQEUIY-UHFFFAOYSA-N 439.553 1.743 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)OC(C)(C)C)C2 1230746590 OKFOZOMRZKTEJJ-MRXNPFEDSA-N 445.582 1.693 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(=O)NCC2CC2)c1 1286311988 SSXZUCRLSADLPE-SFHVURJKSA-N 436.516 1.364 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1286351883 HMGWMPLWTUSERJ-LJQANCHMSA-N 425.489 1.675 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)NC)c1 1286415794 RBVGAVFUKMSQTP-SFTDATJTSA-N 435.528 1.677 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1286431196 MSDGGIFLMUVCTQ-IBGZPJMESA-N 431.606 1.765 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCn2cc(CO)nn2)CC1 1286490178 IAEMUDCNYUBBHG-UHFFFAOYSA-N 440.552 1.076 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCCCC2)CC1 1286492996 DBSZMKQUVVVXLV-UHFFFAOYSA-N 442.564 1.062 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286711606 NJSUSOPIZYKFGK-ZACQAIPSSA-N 428.555 1.013 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCSC2(CCOCC2)C1 1286789869 YGWAMDKHRBRKQR-UHFFFAOYSA-N 428.562 1.669 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286828685 AFOVXOVVRHMRAG-UHFFFAOYSA-N 445.593 1.777 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286829948 HKOVLEGMUCOUDO-MRXNPFEDSA-N 446.581 1.552 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)C[C@H]1CS(=O)(=O)C2 1289201056 GFNREJJEASWOOF-BTDLBPIBSA-N 441.847 1.869 30 10 IDEE COC(=O)c1ccc2cc(CCNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)oc2c1 1289682812 JRKZDWAVSVZJFA-UHFFFAOYSA-N 441.465 1.617 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1293241510 DBZKJVNUUGWDJM-HXUWFJFHSA-N 448.531 1.810 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1 1298742169 HBAPOVNPEXVYJT-HXUWFJFHSA-N 444.517 1.303 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F 1300284911 VSMFDZKWTGKQEC-GFCCVEGCSA-N 425.461 1.188 30 10 IDEE COCc1nnc2n1CCN(C(=O)C1CN(c3ccc(Br)cc3C#N)C1)C2 1300377355 ADMQVNZARRIAKM-UHFFFAOYSA-N 431.294 1.537 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1300412004 XONPVUTYBJFFMW-KRWDZBQOSA-N 433.603 1.977 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C#N)[nH]c3C)CC2)cc1 1300445456 WQPOWAAJFZOKIK-UHFFFAOYSA-N 431.518 1.085 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300479743 RRMWKNDRVGQKRL-KZNAEPCWSA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300487870 MVCVVINPUYRFOI-LAUBAEHRSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300488508 RVBQNNUKJSDCEQ-ROUUACIJSA-N 447.561 1.343 30 10 IDEE COc1ccccc1OC[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1300619522 ALNIJFZNLZJKKB-IXDOHACOSA-N 440.504 1.682 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300762895 RRJVKYRZODJRTE-KRWDZBQOSA-N 441.623 1.652 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1300991048 ORILIBIEKKCMOI-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301245793 LVJKRMFZLKSINL-MRXNPFEDSA-N 428.493 1.912 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2n[nH]c(C)n2)C1 1301543405 LGLPMTSWUIEGDI-DYESRHJHSA-N 431.541 1.769 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1303847671 KGEXNIZFIZRCFQ-BMFZPTHFSA-N 433.452 1.895 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1[C@H]1C[C@H](c2ccccc2F)C1 1303865696 CRSNBLGRCNOENC-VGWMRTNUSA-N 448.524 1.875 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315096015 GYRKKJJMAHRHIH-QFPXGYFVSA-N 428.493 1.461 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1358955235 IDNAGJDTPLFYIP-HUUCEWRRSA-N 443.520 1.478 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358958463 OOTJCUBFPSXBEM-QGZVFWFLSA-N 433.490 1.517 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358959452 JESSUYYWLOTGRP-SIKLNZKXSA-N 439.541 1.604 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359150591 BRJFKNXWGBAVKT-LBPRGKRZSA-N 434.909 1.468 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359225595 DSDXLAVOEHFFCX-UHFFFAOYSA-N 434.504 1.685 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1359238459 LOQHZJRXIBZOTG-UHFFFAOYSA-N 442.545 1.782 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359331848 JFGSMLOTMZUVER-MJGOQNOKSA-N 448.593 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C 1359335262 GPLMQQXYIRIDHT-MRXNPFEDSA-N 425.599 1.917 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cncn1 1359468009 CKDMAPRYCJHLBS-OAHLLOKOSA-N 443.537 1.083 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1360653946 XUHHPVOQFSMNOK-YWZLYKJASA-N 448.549 1.202 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]1C 1450973069 ZOFGARYWWOEDOU-QLFBSQMISA-N 441.550 1.262 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 1455224504 KFQUIGOYILVTKN-UHFFFAOYSA-N 448.614 1.823 30 10 IDEE C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1460224091 VXZBYUDNTZDNKK-KRWDZBQOSA-N 435.546 1.532 30 10 IDEE C#CC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CC1 1460513436 KAJHGWKNZLUYEL-GHRIWEEISA-N 431.489 1.438 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1)C(=O)OC 1468873694 SQUHCZYNVTUHMS-XIRDDKMYSA-N 436.530 1.847 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 1469543187 AMWCCEFWXDGBFU-GOSISDBHSA-N 444.513 1.523 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)CC1 1471451394 RUGUMHVHDDNVCH-UHFFFAOYSA-N 429.546 1.531 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 1471907898 FGTLORXRKIDGEN-UHFFFAOYSA-N 449.573 1.873 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)CC1 1476455116 KUXKLVPIJXOMOW-UHFFFAOYSA-N 434.547 1.439 30 10 IDEE CC/C=C\Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499826949 HKORWRUTJKLAQV-NQHOJNORSA-N 428.518 1.681 30 10 IDEE CCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503207861 CNCJPYHNPAKSFK-FUHWJXTLSA-N 426.525 1.933 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1507616680 LWTICZIXBDDSKP-VQTJNVASSA-N 443.573 1.874 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1507633562 SZSVTUHZUJTDFV-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1507670978 FLOLLSGMQUCQMF-QGZVFWFLSA-N 447.417 1.932 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(COC)c2)CC1 1507723432 ILHHFVDXBGYTKO-LJQANCHMSA-N 426.496 1.318 30 10 IDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507753989 KHBCDNBGVFQJGY-UHFFFAOYSA-N 431.566 1.764 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1508008439 ONKJTPLGTARIFO-HNNXBMFYSA-N 437.591 1.961 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1508085127 FSRPAQFSMDITSW-MRXNPFEDSA-N 445.474 1.136 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1508142944 HNYYNFAVURCKNS-DLBZAZTESA-N 437.566 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(O)cc2C1 1508143391 YFPAJEKZSWYAEI-QGZVFWFLSA-N 431.518 1.098 30 10 IDEE C=CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1508168996 WGDOFYQXDHBICF-FVJLSDCUSA-N 435.594 1.953 30 10 IDEE CC(C)OCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1509879869 SXCQHRSGWOLAEU-XUTLUUPISA-N 445.568 1.475 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1510199861 QOKYSARUPJXBLE-RZQQEMMASA-N 446.581 1.477 30 10 IDEE CC[C@@H](C)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1513112341 HVOFRJJIMIORNV-FZFLATATSA-N 429.525 1.409 30 10 IDEE N#Cc1cc(F)c(OC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(Br)c1 1533837283 OURUXQUTQPSCPS-UHFFFAOYSA-N 426.223 1.863 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1539205694 JHYPYQVRAKJGCJ-OGBOZSPHSA-N 436.578 1.912 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539219956 GFDOXNQGWBATQG-MHORFTMASA-N 449.577 1.061 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([S@@](C)=O)CC2)CC1 1539461724 JKRPCWVVIZWDMS-SSEXGKCCSA-N 431.537 1.663 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1540875872 AGJZFNMAHRUTED-QHCPKHFHSA-N 440.548 1.559 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)COCCO1 1542020761 DLFWLMLRNMYQHM-QFIPXVFZSA-N 425.537 1.974 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 1542294152 QAHONQJOANYDPC-GOSISDBHSA-N 427.523 1.061 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCS1(=O)=O 1545460609 DOVNXXUMMKDHMS-AWEZNQCLSA-N 445.549 1.362 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1554497714 DEFDFPQWGLGZCW-UHFFFAOYSA-N 449.519 1.166 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1555558070 LABGKGRXZVDWTF-HNNXBMFYSA-N 438.941 1.643 30 10 IDEE CCN(CC)[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(OC)c1 1563535678 HVSLMJFKNUTUHW-SFHVURJKSA-N 428.493 1.211 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1583662383 ZNFKCDMBSHEKTC-QWHCGFSZSA-N 427.452 1.902 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1OC 1587561603 FOAFANWLKYDTGM-GJZGRUSLSA-N 435.550 1.606 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1587705694 GULKTVJGCDSTQT-INIZCTEOSA-N 438.598 1.387 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588045500 LYERAOPOAZWYCE-IRXDYDNUSA-N 431.562 1.531 30 10 IDEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594752330 GFJURDFDDFJCQW-UHFFFAOYSA-N 444.580 1.484 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CCC)nc1C 1594963797 XNCXCPDGFYLFKT-MRXNPFEDSA-N 438.554 1.530 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1595537365 QFWNKOKFYOTVPN-IBGZPJMESA-N 449.515 1.451 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CCC2)C1 1595720847 CGBVTUFTBAZJPR-XWBFJWKOSA-N 442.607 1.263 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1611768044 YNVSUVHYRULLCO-UTKZUKDTSA-N 448.593 1.617 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCc2nccn2C1 1613595062 XIRGNNAMESHLAQ-WBVHZDCISA-N 426.525 1.384 30 10 IDEE CN(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1617699998 SIRXRWZULVQKJA-UHFFFAOYSA-N 449.563 1.455 30 10 IDEE CN(CCC1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1618208645 YLHMVBJFHTXKPU-INIZCTEOSA-N 433.534 1.946 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN(C(C)=O)C1 1618543535 CZEAOTIRPRKCHI-APWZRJJASA-N 437.548 1.894 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1629716805 RDNGRXQVLGLXCG-HXUWFJFHSA-N 427.526 1.872 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cc[nH]n1 1631033615 ARSPOUAKKCLHMJ-UHFFFAOYSA-N 441.488 1.887 30 10 IDEE CS(=O)(=O)CCOc1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1631740039 XGKMOCVPRJZWTE-UHFFFAOYSA-N 440.474 1.799 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)CCOC1 1633316078 GYUXBBFLYNVUSA-HSZRJFAPSA-N 436.468 1.835 30 10 IDEE COC(=O)COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1634469669 GFMQUPSUUIWVNP-UHFFFAOYSA-N 434.445 1.947 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1638655994 GUWJEMISWUPXCE-QUCCMNQESA-N 436.574 1.864 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1639050716 ZBCAJMMNYGEYRL-ZDUSSCGKSA-N 449.460 1.397 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CC2CCN(S(C)(=O)=O)CC2)C1=O 1639889918 IQMGTRCASFPEQA-IBGZPJMESA-N 430.571 1.750 30 10 IDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1643360212 OTAOHBNAQJCTKK-MRXNPFEDSA-N 432.496 1.947 30 10 IDEE C#CCN(C(=O)Cn1nnc2ccccc2c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1645454258 COVJHDWMTSTKAO-UHFFFAOYSA-N 425.489 1.653 30 10 IDEE C#C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)[C@H]1CCCO1 1681591987 BWYCJTOEMUCHAV-ILOCAZANSA-N 448.520 1.391 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689833492 KRXJGQKZSTVKMZ-ZIAGYGMSSA-N 449.353 1.989 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1690019585 MNNQKZOVICFVFA-WOJBJXKFSA-N 431.606 1.621 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1690122117 GXOGENILMXZKGZ-PGRDOPGGSA-N 426.496 1.031 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1690642469 QPCGOMBHIPXSLO-GJZGRUSLSA-N 430.513 1.218 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1690655346 PYBMMJKGSIARPU-QZTJIDSGSA-N 426.496 1.758 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCC1 1691237471 SMBYPYDHYVCVAR-CVEARBPZSA-N 448.524 1.230 30 10 IDEE Cc1ccoc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1692941951 BTEIXMCFFUNKBA-KRWDZBQOSA-N 434.522 1.301 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)C)CC1 1695929847 FTILAMINSPNPGY-HXUWFJFHSA-N 439.564 1.746 30 10 IDEE CN(CCC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1696772986 AFRMTGJXVJMQSG-KRWDZBQOSA-N 443.451 1.755 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1705490139 CWHRNRHDQPWXBS-MZNJEOGPSA-N 449.559 1.760 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1705574869 PYZKLRLHQGYJNY-FQEVSTJZSA-N 441.495 1.863 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1705624730 NBMOCTHNYRVTLP-UHFFFAOYSA-N 439.394 1.438 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705660112 MYXXSGCKQDNNTH-GJZGRUSLSA-N 445.549 1.680 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC[C@@H]2C)CC1 1705769642 YTBHTASSJJNZDK-KSZLIROESA-N 439.582 1.440 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1705805766 NYWVBGCAFFHETO-IRXDYDNUSA-N 441.598 1.971 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1705867059 GXAFNGTXVMUESO-AQNXPRMDSA-N 427.553 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1c(C)nn(C)c1C 1705899401 RBHZCHRQWUQJSM-UHFFFAOYSA-N 437.504 1.963 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OC)C1 1705902429 DZRAEVGDECDNRX-IAGOWNOFSA-N 448.568 1.920 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2C[C@@]2(N3CCOCC3)CCSC2)C1 1705929623 UJRFCEVKLAOLRO-RXVVDRJESA-N 437.610 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705934467 NLKZQBHQRWIYOU-QGZVFWFLSA-N 444.561 1.450 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1706073862 RPUWIXLZEWNABQ-JLCFBVMHSA-N 434.504 1.266 30 10 IDEE CC(C)Oc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cn1 1706677510 ATGRNVYDJMVFFQ-QGZVFWFLSA-N 425.493 1.473 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1706935149 MXLMRQZOUMQAKN-ABSDTBQOSA-N 436.582 1.584 30 10 IDEE CCN(CCCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)S(C)(=O)=O 1710139809 FLKNYJDVAVWSMX-UHFFFAOYSA-N 449.556 1.596 30 10 IDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CCOC1 1711624260 LPFLPXQXXRYWEF-JOCHJYFZSA-N 426.521 1.973 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722286422 HVWJNUHJBVLPCY-CVEARBPZSA-N 447.561 1.702 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1722294349 GVQYFQPTCFWWBC-PKOBYXMFSA-N 425.537 1.716 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722338279 MSVCJDXJGLDVHT-UHFFFAOYSA-N 426.569 1.200 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1722359842 WIGCHEHGPXJXJB-QGZVFWFLSA-N 434.566 1.094 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1722396724 KDPNYILTBIPQAO-INIZCTEOSA-N 431.587 1.905 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722608065 SKCIVTSDPICGPI-UHFFFAOYSA-N 440.552 1.914 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](N1CCOCC1)C(F)(F)F 1722638557 FUXJFWRMVONVLR-HNNXBMFYSA-N 442.442 1.891 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)C1 1722719164 RFZWZJCJOPGXIH-MOPGFXCFSA-N 437.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1722724404 VXOWXDRCJCMCML-GOSISDBHSA-N 431.562 1.834 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1722735149 KFTDHDUJNSZRMV-KRWDZBQOSA-N 439.549 1.555 30 10 IDEE Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726398163 NQCQSMBKDMIVIC-FOCLMDBBSA-N 427.431 1.187 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1729467705 BUCGYDZEOFKQMM-GOSISDBHSA-N 434.504 1.975 30 10 IDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)CC1=O 1729598430 KCOAHRYKMHINKU-FQEVSTJZSA-N 437.548 1.332 30 10 IDEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740578437 IPTRUUHVRRKXEK-XMSQKQJNSA-N 430.553 1.678 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740615584 HLLZDGWWXRHZKY-QGZVFWFLSA-N 449.577 1.100 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1740622720 HTMYKCIRODZHIU-SFHVURJKSA-N 432.550 1.064 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740623949 AIPBMISBXOAYDA-HUUCEWRRSA-N 438.500 1.809 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740624760 AKHVISVIMNUMAX-ZWKOTPCHSA-N 436.578 1.963 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1740684681 YMAZXSYWBOMXKN-OAHLLOKOSA-N 434.541 1.619 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2cncn2)CC1 1740723381 PQWZJADUQQVNBH-OALUTQOASA-N 445.593 1.877 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCCS(C)(=O)=O 1740763606 NOOTVJPAMYJQGC-APWZRJJASA-N 439.582 1.253 30 10 IDEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740886608 MDLIXTMDZXHYDI-WIYYLYMNSA-N 430.597 1.812 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740961888 ZYDDZCLKUPOMSP-FQEVSTJZSA-N 435.532 1.791 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2COCCO2)C1 1740975308 UUIQYMILUXKDEG-MSOLQXFVSA-N 448.545 1.545 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnnn2C)C1 1740983922 SKUZMDJNHJCALT-HNNXBMFYSA-N 428.522 1.228 30 10 IDEE CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)N(C)C 1741421456 VDLANJVRIOTIOM-HZPDHXFCSA-N 429.525 1.711 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1741802387 HVBPGJPOOUXPDV-ZIAGYGMSSA-N 434.497 1.696 30 10 IDEE Cc1ncc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)s1 1742614203 FASZCKFZABLUMO-UHFFFAOYSA-N 431.547 1.767 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccn(CC)c1=O 1747193828 NGZUPVPOHZIXMG-UHFFFAOYSA-N 448.531 1.638 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1747530028 AUFXERMZSYHCFY-UHFFFAOYSA-N 446.515 1.342 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1748188266 AHALKBIDYRRDEC-GOSISDBHSA-N 426.521 1.854 30 10 IDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748820599 FLOWUNGIJJTLOI-IEBWSBKVSA-N 446.573 1.734 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1748863937 LEDKMESFYKWIBG-KRWDZBQOSA-N 439.545 1.401 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1749066412 JPJLQRVBPAWQNR-PDOICOKGSA-N 439.557 1.741 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1749457318 JHCKNTPRGYCMLK-SFHVURJKSA-N 449.581 1.281 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1749627454 NXZPMFBDDPVZQE-QGZVFWFLSA-N 427.571 1.235 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1749635283 XYZQXUDJQCYFQZ-UHFFFAOYSA-N 442.549 1.877 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1749978460 DQGXJXRSDHFZKG-GOSISDBHSA-N 435.532 1.695 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760211758 LSPFHUBMSSWVIX-NFBKMPQASA-N 440.569 1.833 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CCC)OC)CC1 1760271022 IQEMIKMAEFOCRD-SFHVURJKSA-N 430.553 1.181 30 10 IDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1760274789 TUMVRQMUVAHDDN-UHFFFAOYSA-N 445.545 1.616 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760313833 RAYBBWVPOKGRIO-SCTDSRPQSA-N 432.569 1.893 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1760349598 RBOUANUNYYPXHP-XMSQKQJNSA-N 432.569 1.249 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760354845 PBPKNDCRGBYJRW-UHFFFAOYSA-N 434.566 1.793 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760546284 MITFJGDFXHHLMD-UGNPLGLKSA-N 449.515 1.572 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760556637 KRYVQUVOTNITJW-IRXDYDNUSA-N 444.561 1.731 30 10 IDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760567851 OPBVYSWFOVKNOO-UHFFFAOYSA-N 427.578 1.970 30 10 IDEE CC(C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760925512 FLGXPNZSHMNESS-ZZEZOPTASA-N 441.536 1.377 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCCCO 1761234752 ZYCDEHLKBZDJEQ-UHFFFAOYSA-N 440.552 1.562 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1761361656 MKMSBEBGXJZXHX-ZDUSSCGKSA-N 426.493 1.777 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1763102209 HKULZTORIJRWJV-UDJKBAMHSA-N 437.504 1.870 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1763125273 NMSPQLXREMLQLK-NZKCYVOASA-N 432.550 1.988 30 10 IDEE CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H](C)C1CCC1 1764789106 SMPOSNCVDDESTD-PTJNZFQRSA-N 441.536 1.771 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1765740068 ZHOSLUFVJCFLAW-CZUORRHYSA-N 427.465 1.457 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1769841261 ADMJJOBMAJAVTP-GOSISDBHSA-N 432.550 1.736 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCSCCCO)CCO1 1770748326 YKDYTNHTUQUXQV-ZDUSSCGKSA-N 441.355 1.880 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC(F)F)CCO1 1770748812 RWJLPCOOAPHVGS-GFCCVEGCSA-N 431.403 1.952 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1771113140 KGQOQOPFVSZNHX-CVEARBPZSA-N 446.474 1.759 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1771360938 HCINKTYFVGREMM-FUHWJXTLSA-N 448.524 1.731 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCOCC(F)F)cc1 1771533864 BRZMRPKIRFUDKY-UHFFFAOYSA-N 441.460 1.245 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1771538329 BCDIIRNAHXPIMZ-RTBURBONSA-N 429.546 1.617 30 10 IDEE Cc1nc2ccnn2c(C)c1CCC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852040872 GCSMRPBUFVXPFW-UHFFFAOYSA-N 433.516 1.911 30 10 IDEE C[C@@H]1CC(=NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)NN1c1ccc(Cl)cn1 1852055722 ZNRSAVHDJYCZOL-ZIAGYGMSSA-N 429.912 1.774 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@H](C)NC3CCN(c4nccn(C)c4=O)CC3)C2)CC1 1853447164 XKRDGQLRAXAPGA-ROUUACIJSA-N 449.621 1.488 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)nn2C)C1=O 1854282419 IKGSSUCUGQDBBQ-JKSUJKDBSA-N 427.530 1.608 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854518104 ZIIFKFNYAGWZNI-CYBMUJFWSA-N 435.399 1.987 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(CCC#N)[C@@H](C)C3=O)C2)cc1 1856199708 XDZROTFYUTVAES-ROUUACIJSA-N 432.546 1.369 30 10 IDEE C[C@H](Oc1ccccc1F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857063886 LMOZMQNKKXLVDG-HOCLYGCPSA-N 437.493 1.533 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)cc1 1857384126 BPKLYJATVATMMG-UHFFFAOYSA-N 431.901 1.856 30 10 IDEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1869928126 APMVVETZJKGJIH-OAHLLOKOSA-N 436.515 1.180 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869929636 JXULZRZMOCTNQG-IBGZPJMESA-N 442.541 1.861 30 10 IDEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870155547 SCZNGIQUZCLGBR-UHFFFAOYSA-N 445.395 1.899 30 10 IDEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870492226 MWUBXPJLDOKRGE-UHFFFAOYSA-N 430.549 1.559 30 10 IDEE C=CCNC1=C(c2cc(F)cc(F)c2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873114135 OEVMVMHINZFRTN-UHFFFAOYSA-N 433.436 1.668 30 10 IDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(NCCN3CCOCC3)ncnc21 1875228017 VPGMFSNKMWKFKZ-UHFFFAOYSA-N 441.580 1.528 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889757637 XKHZIEARNPFYOV-UHFFFAOYSA-N 448.589 1.066 30 10 IDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)CC1 1890996107 GYFBMEIAIVMZJZ-UHFFFAOYSA-N 431.562 1.585 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(CC#N)CC2)CCN(Cc2ccccc2)C1 2010545429 VOGIHQOVAYZRCD-QHCPKHFHSA-N 427.549 1.824 30 10 IDEE CC(C)(C#CC(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 2023915383 YXINJNOIWKHEAO-HNNXBMFYSA-N 437.537 1.876 30 10 IDEE N#Cc1c(I)ccc(S(N)(=O)=O)c1I 2055360293 QRHIQMRFMBCJTJ-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2136337103 AZQZKXKSODLNQF-GVDBMIGSSA-N 448.325 1.265 30 10 IDEE Cn1cc(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255613187 AWUHFDVNLRJREC-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255665931 MATLXLXYFWIANQ-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255692614 BZGWSIGPZSDKHH-UHFFFAOYSA-N 437.350 1.490 30 10 IDEE CC1(C)OB(c2csnc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2255806676 ITODSUDMGSLVFY-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2256022455 LGOTUXIVQCPVCO-INIZCTEOSA-N 433.358 1.986 30 10 IDEE Cn1cc(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267134576 RJTUCMUPOCHMBG-QFIPXVFZSA-N 446.357 1.945 30 10 IDEE Cc1nn(C)c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2267138096 VTGRNYHUULPDAW-SFHVURJKSA-N 444.263 1.311 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167658 JKAWSYVFLYNCFI-AAEUAGOBSA-N 442.247 1.447 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267276106 XZMWOIJJGFRIIQ-HDICACEKSA-N 437.353 1.603 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2267498267 TVHIVOKXEHCILG-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267503941 LKZXFSLXFPWMOV-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2267598410 ZOAZVQXUJIFURH-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269030859 KLEILCPDDKQXTM-QGZVFWFLSA-N 440.309 1.091 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269047304 QMAGSNBTHBXXLO-WMLDXEAASA-N 443.309 1.508 30 10 IDEE C[C@@H](N)C[S@](C)(=O)=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282831247 HCABBUWEWJVUTN-IJRMKIOGSA-N 442.821 1.834 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1cccc(CC#N)c1)NC(=O)OCc1ccccc1 2286035216 TYVDYYWUDLLZHM-GOSISDBHSA-N 431.470 1.962 30 10 IDEE Cc1c(C=C2SC(=S)N(CCC(=O)O)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 2314457522 OAYAQDUZLCPAPL-UHFFFAOYSA-N 432.527 1.842 30 10 IDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1O 2327842529 LZEITJRUGNPASJ-ZDUSSCGKSA-N 446.533 1.566 30 10 IDEE N#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16520052 NSKCPMSVJIVWBD-UHFFFAOYSA-N 435.487 1.473 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 29755989 RZTXYBPTWQPTCB-OAHLLOKOSA-N 444.469 1.767 30 10 IDEE CCC[C@H]1O[C@H]2C[C@@H]3[C@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 256435762 JBVVDXJXIDYDMF-AUWXDRCOSA-N 446.540 1.688 30 10 IDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccccc3Cn3ccnc3)CC2)c1C#N 443189670 CAGGYFUNLRPYFP-UHFFFAOYSA-N 425.518 1.356 30 10 IDEE CCc1cnc(N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)s1 444219568 WRQYEBNTVUUTST-UHFFFAOYSA-N 429.550 1.344 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)C2=O)cc1 488273725 FOLFFRRLTVAWRU-PKTZIBPZSA-N 447.539 1.378 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)C1=O 504493811 BGQXCACBLCCJKF-JGGQBBKZSA-N 427.457 1.358 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC(=O)OC)CC1 508872982 LMZYPDYGNFLNIJ-UHFFFAOYSA-N 437.504 1.156 30 10 IDEE N#Cc1ccc(N2C(=O)C[C@H](Nc3ccc(F)c(N4CCCS4(=O)=O)c3)C2=O)cc1 521862234 VAIDHTQJVZKHKK-KRWDZBQOSA-N 428.445 1.981 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cc(C#N)cs3)c2=O)cn1 530654392 SQRHJAFVUPYZEJ-UHFFFAOYSA-N 435.534 1.921 30 10 IDEE N#Cc1cccc(CC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 530909343 BKNFNEXCFXLXGI-UHFFFAOYSA-N 441.509 1.795 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 534335732 ZGMGLWLHFPLFJO-UHFFFAOYSA-N 426.477 1.785 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 543383364 BFZVUKGIPWIIGR-JOCHJYFZSA-N 448.479 1.998 30 10 IDEE COC(=O)c1sccc1N1C(=O)C[C@@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546914140 AUOHTFZZBNFRBF-OAHLLOKOSA-N 425.470 1.255 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC[C@@](C)(C#N)C1 589201814 ABIUZXDIQZGYKK-NRFANRHFSA-N 434.562 1.787 30 10 IDEE CS(=O)(=O)N1CCN(CCNc2c(C#N)cnc3c(Br)cccc23)CC1 619651234 QCBRDPDGOVDUBM-UHFFFAOYSA-N 438.351 1.858 30 10 IDEE C#CCN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 729332154 URFYWJNOLFLPOE-GOSISDBHSA-N 435.505 1.707 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn(CCC)c2)c1=O 735069264 QVHBKFVCXQRYTJ-QFBILLFUSA-N 439.585 1.900 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 753168020 WWKKBUULWLTNJJ-XMMQZVGTSA-N 435.488 1.887 30 10 IDEE Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 756039860 GUVATLIUUFMNGZ-STGLLQLASA-N 446.305 1.925 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1 756113843 LOBQAFIHZDBACW-FGLUDEAJSA-N 449.577 1.828 30 10 IDEE CN1C(=O)C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(Cl)c(F)c1 759063743 HCPBKBJWMXAANL-WICGLFETSA-N 434.855 1.641 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC3CCC(C(=O)NC(N)=O)CC3)ccc2c1=O 759634657 VUGZPTXBQHGDDF-UHFFFAOYSA-N 429.502 1.355 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1C[C@H]1CCCO1 760377196 GYTMWXJOLIEJFS-OAHLLOKOSA-N 446.960 1.475 30 10 IDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 767695355 KISAOKXJJNVIRK-OAHLLOKOSA-N 440.518 1.800 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCC2CCS(=O)(=O)CC2)cn1 768418063 QNYLBEMGLMEYKS-OAHLLOKOSA-N 441.579 1.186 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)OC[C@H](C#N)Cc3cccc(Br)c3)cnc21 774395413 IKCLMSMGIFEWGR-ZDUSSCGKSA-N 430.262 1.818 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H]2CCSC2)C1=O 794440716 IBZWVZYAKPSJPP-VDJQIKDNSA-N 435.619 1.498 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C[C@H]1CCOC1 811726666 DVXVKOPWLFDBJI-CYBMUJFWSA-N 430.411 1.863 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2c3c(nn2C)CCCC3)C1=O 812221424 LIZAGYOLVROLBN-YPYXJLKGSA-N 440.573 1.873 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@H]3CSC[C@H]3O)C(=O)[C@]12C 1076000493 ZLCUAISAQVPXBL-GLCMTYKASA-N 445.493 1.635 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)cn1 1084346888 WDYXDLXDNJNGPN-UHFFFAOYSA-N 444.521 1.511 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cn1 1084402942 NMVRYBQILSKYKB-UHFFFAOYSA-N 433.473 1.151 30 10 IDEE C=CCn1cc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)nn1 1130119785 RLZMJCFMHYJVRM-UHFFFAOYSA-N 445.549 1.333 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)ccc1F 1131842474 POHRCYYXEVOHFW-SFHVURJKSA-N 448.520 1.316 30 10 IDEE N#Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cs1 1136476597 BGYMMLIWDXVPIL-UHFFFAOYSA-N 433.511 1.928 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(O)(CN2CCOCC2)CC1 1137769509 DANLKONYYVUMNY-SFHVURJKSA-N 438.569 1.649 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCC[C@@H]3N3CCC(O)CC3)C2=O)cc1 1152693325 GYFQDKLFHMDASW-ZCNNSNEGSA-N 439.516 1.257 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)C1 1171943621 BZTZEYIYRXAFJB-CYYZRUGISA-N 446.504 1.694 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cn(C(C)C)c(=O)nc2O)cc1 1198250338 BBGAEYNHWGQIRA-UHFFFAOYSA-N 435.506 1.658 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1251248719 JNFDKRLSBWIFCX-QYZOEREBSA-N 430.553 1.285 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)c(Cl)c1 1251450851 IGDSCAOGVPJACL-HNNXBMFYSA-N 427.896 1.818 30 10 IDEE COC(=O)c1cccn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1=O 1264645492 RBTZGXNUGNOBMR-XLNRJJMWSA-N 446.485 1.086 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCNC(=O)OC(C)(C)C 1286277064 AOGGRNBZGKRIPJ-LSDHHAIUSA-N 442.586 1.651 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1286282536 NEKFMPZFYUOSPL-QGZVFWFLSA-N 433.520 1.781 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1286436349 FHVASUBCPCDMRO-UHFFFAOYSA-N 441.355 1.531 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1286466436 YSZIFRYKWVLYRP-HXUWFJFHSA-N 438.532 1.200 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286611342 JPJCPRMCSSJKLO-SJORKVTESA-N 432.525 1.585 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286780671 HHGMANKRPWUKRB-JKSUJKDBSA-N 426.587 1.202 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286781879 CYCHDQVEHUUSJQ-IBGZPJMESA-N 435.532 1.277 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC=C(COC)CC1 1286783919 QAYUTWXLYQXYJY-UHFFFAOYSA-N 425.489 1.801 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1286786510 FQZNBFIOSXWVGV-GOSISDBHSA-N 425.468 1.698 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286831617 AXEUQVZOTWCHTO-ZWKOTPCHSA-N 434.610 1.444 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1286968175 OQUNOBBWAUQDPI-ORAYPTAESA-N 439.488 1.293 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1288986243 QOHVBQQOPUANQN-HNNXBMFYSA-N 427.596 1.426 30 10 IDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1290522120 DNKAGLJIKXWZHO-SFHVURJKSA-N 425.518 1.645 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)C[C@@H](C)O1 1290836932 IAASDBHCTJGNQC-NSHGMRRFSA-N 434.562 1.257 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1291268336 UTADIZUFLIIPEI-FZFLATATSA-N 439.545 1.732 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1296086993 DPAJDCQQGZVPOO-UXHICEINSA-N 437.548 1.642 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1296973915 YXKSVTWJIOWWMZ-MSOLQXFVSA-N 437.504 1.810 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1300308121 MIJFISBZJLISOK-CHWSQXEVSA-N 438.351 1.844 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)CC1 1300356663 DJIIGQZKMQCDFV-UHFFFAOYSA-N 428.537 1.968 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1300409128 FXRUBQFXMXZAAA-HXUWFJFHSA-N 443.573 1.630 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1300465824 QSZCTFNSUQMJRA-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300497148 XPEVAFMBZAYLHS-GUDVDZBRSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497630 BOMUDOIHHAKCBN-IBGZPJMESA-N 443.573 1.707 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1300503596 FAAACUCIFFZEFX-OALUTQOASA-N 446.577 1.193 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1300558976 GQBUVIOSOCFCAV-JOCHJYFZSA-N 438.536 1.226 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC[C@H]1C 1300811076 PVKCKPAZJXCAOC-CRAIPNDOSA-N 432.550 1.617 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300863208 KTFMRNBCVQFLGZ-ZACQAIPSSA-N 439.582 1.411 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300982899 ROONFTLMXHHNMK-LJQANCHMSA-N 428.537 1.704 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1301425363 HPYZBTMZOQWBHO-HXUWFJFHSA-N 438.525 1.196 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1301518456 GXXIEJJNBQTEQQ-UHFFFAOYSA-N 440.548 1.858 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301528590 CIPOMOPNGHZWOW-MOPGFXCFSA-N 438.532 1.947 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(SC)c1 1302312013 UESLVQFGNXPIBX-JZXOWHBKSA-N 430.534 1.896 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1313488523 DWBFLXGTATVEIP-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE CN(C)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1314660257 UHBBOZZQPNXAAC-MRXNPFEDSA-N 446.502 1.987 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1314874007 RFCQYLJNQRVIJB-HNNXBMFYSA-N 440.476 1.226 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1315104398 SHHKECIASJZCNU-HKUYNNGSSA-N 441.488 1.534 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC2)cc(OC)c1OC 1315303765 BMMZBBVXQGFELX-KRWDZBQOSA-N 442.520 1.795 30 10 IDEE Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)c(=O)n1C 1351077254 VFJNPQXKGTXJOA-XLNRJJMWSA-N 434.522 1.122 30 10 IDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)nn1 1355365782 ZGEGCDQVMGQLPF-UHFFFAOYSA-N 435.506 1.525 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1358962404 PEQOECDCVKODOB-PMACEKPBSA-N 444.557 1.339 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1358984382 SGOAZWXNLHADOZ-UHFFFAOYSA-N 432.528 1.636 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(COC)c2)CC1 1359028189 KAEGLVNQQZIQOU-UHFFFAOYSA-N 440.523 1.603 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359058328 ZNGHUDOOXMOIDD-UHFFFAOYSA-N 437.566 1.857 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O 1359073184 GJSBKDIVJLUUEC-HXUWFJFHSA-N 431.566 1.167 30 10 IDEE C=CCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359218676 RIDTXBPPZYUERX-UHFFFAOYSA-N 433.582 1.750 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCNS(C)(=O)=O 1359256560 JOTRUCXIOJFMMY-IBGZPJMESA-N 444.561 1.786 30 10 IDEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359339857 SOCAPFCWHLWXID-UHFFFAOYSA-N 439.549 1.200 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(I)cn3)CC2)c1C#N 1435910923 HGYZARBEUBOTTG-UHFFFAOYSA-N 436.257 1.562 30 10 IDEE N#C[C@@]12CN(C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1439611031 MITYOVMUYCWASS-JTAQYXEDSA-N 437.521 1.945 30 10 IDEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(-c2ccco2)n1 1441014484 VNQLVIZFTRUZJV-UHFFFAOYSA-N 425.470 1.698 30 10 IDEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 1457058496 DTUZBNKYBCOHTO-PMERELPUSA-N 429.550 1.753 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1)C(=O)OC 1463852929 BDOGDMOBRKAZEL-CQSZACIVSA-N 432.292 1.777 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1471226327 HTSBYAKHXIEFED-HNNXBMFYSA-N 446.504 1.319 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 1478116952 KJYWONAQYPLFKQ-CQSZACIVSA-N 435.502 1.627 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)C1 1503680662 YBKRKMQUQRTWTP-AUUYWEPGSA-N 447.337 1.503 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CC1 1503762427 FKDQXMOAUMBKOE-JOCHJYFZSA-N 426.521 1.567 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(C)COCCO2)c1 1507549656 KFASIVZIPKMPDJ-HSZRJFAPSA-N 449.515 1.540 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507590010 UJSNBGFQIPKCIG-MRXNPFEDSA-N 436.607 1.813 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CC(OCC)C2)CC1 1507721278 ZRIMUYIFVKDTHP-HXJXPZHGSA-N 447.580 1.004 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(S(=O)(=O)CC)CC1 1508082914 XULPRPKOQWWILF-UHFFFAOYSA-N 447.561 1.659 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)C1 1516391080 GQSBABWZKCTXSF-UHFFFAOYSA-N 426.521 1.708 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1517143721 CYKJUGWUWUGUOT-DSIZOQBWSA-N 428.286 1.787 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1519393860 NNUNZPXYLPDWRO-QZTJIDSGSA-N 427.461 1.984 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](COC)OC)c1 1539043900 WCAYARFROKSMEZ-ICSRJNTNSA-N 441.532 1.890 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1539200633 MROCKHPTGWWOBL-HZPDHXFCSA-N 437.591 1.036 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539900949 YUDWCIVOOCRLGK-UHFFFAOYSA-N 443.552 1.637 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCS(C)(=O)=O 1540051482 FXNGACRFCZHMIZ-UHFFFAOYSA-N 432.344 1.719 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCN(c4ncccc4C#N)CC3)CCC2)C1 1540523088 UDKPEIMQPVGJDB-UHFFFAOYSA-N 441.532 1.754 30 10 IDEE C=CCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1540860955 VXDHKFGVRSSIIZ-IBGZPJMESA-N 427.571 1.367 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1540865701 PDYRQAICRRYYHR-QGZVFWFLSA-N 425.493 1.559 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540916805 HEDYZCQTONAAMQ-PMPSAXMXSA-N 439.607 1.347 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(OC)c1OC 1542479521 OMDRUSLMOPOVCL-SJORKVTESA-N 443.456 1.681 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCOCC1 1543291224 AFUATAJCHDRRQI-UHFFFAOYSA-N 437.548 1.453 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCC1CCOCC1 1554124420 BPLOCJLIYQYHQG-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE COC[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555372828 LDVCIKWVTDNUEG-JVMRMLDLSA-N 442.545 1.930 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1560017349 HGWIZDZPTHAPDH-HDICACEKSA-N 435.546 1.838 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 1560201080 XSYXEAZGQBCOQY-MOPGFXCFSA-N 430.468 1.909 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 1561063712 VQDTVRFOACSSDD-UHFFFAOYSA-N 426.466 1.641 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1=O 1562945026 KPYDRULEVYMZBZ-AWEZNQCLSA-N 438.326 1.931 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1587638399 DNLSVRLXZUEEER-SJORKVTESA-N 439.582 1.276 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COc2ccccc2)C1 1587808730 WGLUKVGKGIYIBT-IEBWSBKVSA-N 447.561 1.586 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1587813864 WXGCSQIWZHGZIN-HNNXBMFYSA-N 429.550 1.272 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1588075057 WQNZIFUJVHPIGB-GOSISDBHSA-N 432.546 1.829 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)CCOC)CC1 1588924229 XWKVRNHNQXLLQR-HSZRJFAPSA-N 440.548 1.402 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(OC)cc1 1595536474 AZLMMIOWZWSOAO-UHFFFAOYSA-N 438.488 1.953 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1595555507 APZJOPDTRRDISL-GJZGRUSLSA-N 435.475 1.689 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1598159110 NWAMVSUURVRXGM-GOSISDBHSA-N 438.536 1.495 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NC[C@@H]3CCCN(CC#N)C3)nn2)C1 1610951980 IJYDUCKMMXIPNC-DLBZAZTESA-N 431.541 1.815 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)COCc1ccccc1 1611629307 DDOVQNCIEJBZEU-PKOBYXMFSA-N 426.521 1.998 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCN(C)C 1613314232 HALGHTHVXVDVOH-SFHVURJKSA-N 426.569 1.963 30 10 IDEE Cc1cc(C)cc(N=C2N[C@H]3[C@@H](S2)[C@H](C(=O)NCc2cccnc2)C[C@@H](O)[C@H]3O)c1 1616174712 CTXYIXGBPDQPIA-WAPOTWQKSA-N 426.542 1.818 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1618536250 PTJBFBQIPPWRMK-APWZRJJASA-N 426.521 1.831 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCS(=O)(=O)CCO2)cc1 1620678601 CLKFCYZAGZIJSW-UHFFFAOYSA-N 432.502 1.575 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1626966713 NDHQVOGFFSIPAO-SFHVURJKSA-N 440.544 1.809 30 10 IDEE C#Cc1cccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 1629924353 QQKJWBKNSKPGON-LJQANCHMSA-N 434.539 1.066 30 10 IDEE CC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccs1 1630984300 RSUMOSGWMYGRCF-MRXNPFEDSA-N 448.570 1.778 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1631845121 LPGZZUOYHBJFLR-SJORKVTESA-N 437.537 1.553 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)CC1 1632624606 VFXKVVMKYCEVSQ-NRFANRHFSA-N 442.560 1.611 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](CS(N)(=O)=O)C3)C2)C1 1633743330 QEHINLCSDKCNFD-ZZPBVIFJSA-N 440.566 1.300 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)CC1 1634876319 KRKLZSCJLQUEBW-UHFFFAOYSA-N 435.406 1.483 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1647908869 AKNTZYHGPHDEKQ-CHWSQXEVSA-N 441.916 1.217 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)NCC#C[C@@H]2CCCCO2)(S(C)(=O)=O)CC1 1648586724 RRUKEXXNWSGLFI-INIZCTEOSA-N 428.551 1.489 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1672020985 WHDVZCWBSOWPEH-ICSRJNTNSA-N 433.578 1.540 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)s1 1683452450 PGGMRWYKVISZLB-UHFFFAOYSA-N 435.487 1.744 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCC1(F)F 1686054987 FRFNDUFQOORFJE-IHRRRGAJSA-N 430.452 1.975 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1689965824 DSFZKPXINVPBIW-GOSISDBHSA-N 428.562 1.602 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1690091422 SRZWVKSXWAXQMT-GOSISDBHSA-N 433.509 1.725 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1690103203 AWQUDYOYVQCYBB-IEBWSBKVSA-N 435.594 1.283 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2cnn(C)c2)CC1 1690113329 GVEOFWXYAUBCFN-QFIPXVFZSA-N 427.553 1.052 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1690185257 VYGJSYXTHPETLC-UHFFFAOYSA-N 447.536 1.658 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 1690673179 QPFAZEFYFKYVKO-UHFFFAOYSA-N 446.939 1.295 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nnc1C(C)(C)C 1690678390 UXDVCVDEDJSGLF-UHFFFAOYSA-N 438.536 1.941 30 10 IDEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)C2 1692887369 YLKBGNHIRDYMLD-OAQYLSRUSA-N 426.477 1.247 30 10 IDEE Cc1nc(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)n[nH]1 1693363946 BYLIDQLGMNYFRA-UHFFFAOYSA-N 440.533 1.758 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)c1 1697308127 GBZIBBXIQZAOGJ-KRWDZBQOSA-N 435.506 1.126 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CC1 1697706795 UZFWWAVPBLCTQM-UHFFFAOYSA-N 448.474 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCOCC2)c1 1705476246 UJOUBOLIECXCOM-KRWDZBQOSA-N 438.532 1.973 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1705561844 WRMXPIZEAJEGKD-QFBILLFUSA-N 443.573 1.826 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705566205 MIDXMVAQZNSSPA-IRXDYDNUSA-N 432.550 1.120 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1705566605 PLSKXDYQLLRWOZ-RBUKOAKNSA-N 435.594 1.139 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2ccn(C)n2)n1 1705632191 XRAXNWABVCNJSG-HXUWFJFHSA-N 438.536 1.784 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2Cc2cc(C)on2)n1 1705632209 YBIZJLOYPRQBBP-SFHVURJKSA-N 439.520 2.000 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1705647457 FMFNXFYVTBCQTE-AQNXPRMDSA-N 427.549 1.729 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705702316 GSYAOAIROQHFEV-XFKSJGNHSA-N 427.505 1.682 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705729190 OHVDPBVVIJRZLX-FHWLQOOXSA-N 432.569 1.321 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705900405 BQENIWOLDDYBRM-UHFFFAOYSA-N 447.425 1.352 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](COCC)C1 1705927733 FBRQIWNXLJLYTK-KRWDZBQOSA-N 439.582 1.368 30 10 IDEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1cccnc1 1706260384 GDPHSSLTTPGSCJ-QRVBRYPASA-N 444.561 1.744 30 10 IDEE C[C@H]1CCCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1708084630 CCLSPXRAVDWRMM-RBUKOAKNSA-N 429.569 1.641 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1722353151 SGRNSUBHZFWIRN-INIZCTEOSA-N 447.536 1.274 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722378223 BKPSSCFJJOMFNY-OAQYLSRUSA-N 441.495 1.974 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(C)(C)O 1722417273 BOLZIKHMQNAXCT-HNNXBMFYSA-N 437.541 1.828 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1722442366 YWTPAHZGZVAEJM-ROUUACIJSA-N 442.589 1.697 30 10 IDEE C=C(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1722526152 PZXADSQWSVAGHZ-JTSKRJEESA-N 438.536 1.883 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722625577 XAODFHDQFATIHF-UYAOXDASSA-N 427.553 1.875 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC[C@H]1CCOC1 1726406272 NVGADIVPYMHKGW-SJLPKXTDSA-N 426.525 1.407 30 10 IDEE CN(C)[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCSC1 1729325945 ANMPFEGAYHZAEV-PGRDOPGGSA-N 439.589 1.956 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1729545861 MBXLTUOCPRQWHY-GOSISDBHSA-N 446.533 1.059 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1740616781 GTBZEUYBJZYRAX-KURKYZTESA-N 436.578 1.962 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1740617160 NCHGBTPVOWYEPY-KRWDZBQOSA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1740620284 DGNHCIIZUWFSKY-IAGOWNOFSA-N 446.577 1.452 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740752506 XKKGAPCKELUKKJ-RQXXJAGISA-N 435.569 1.946 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1740774125 MLPLQLVMRFVKSO-OAHLLOKOSA-N 432.612 1.796 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCC2=O)C1 1740799644 QTMANHQRYZVQKH-BJLQDIEVSA-N 433.553 1.796 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(C)C)CC1 1740954777 GNHHLFADAUINJZ-UHFFFAOYSA-N 440.548 1.939 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1740960434 RJYQSCGXOSTHOL-WMZOPIPTSA-N 445.545 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740989164 CFGRSQSIIBWYJX-NRFANRHFSA-N 447.561 1.715 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCc2ccco2)CCOC1 1746685357 NQZCEDOZGQYFLW-QFIPXVFZSA-N 442.520 1.970 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1748748152 SYEUPWYMKXUKJA-JKSUJKDBSA-N 425.489 1.713 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1748811588 ITYHTKSQDZVLSU-KRWDZBQOSA-N 440.529 1.130 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1748816036 VYFMDGIMVAJHLK-IEBWSBKVSA-N 444.561 1.488 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCOCC2)cc1 1748877143 FPCNNTUNHFPRSU-GOSISDBHSA-N 429.477 1.136 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C(C)C)CC1 1749016964 RCOCENIAXMTZOJ-UHFFFAOYSA-N 437.548 1.002 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749241551 PVXAYPDWDXHRCA-SJORKVTESA-N 432.525 1.489 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)CC 1749467200 JFDLRSLSFOZUEZ-UHFFFAOYSA-N 431.360 1.608 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749721403 IVBRQWTXNWMNNJ-JXPGLKHUSA-N 428.493 1.437 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1750208034 DGQACCOVSPCRJM-KRWDZBQOSA-N 434.522 1.504 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1751169446 AHOLLQHFUKKXFG-MRXNPFEDSA-N 447.561 1.618 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CC(C)(C)O)cs1 1751781280 UNMOCAKIHJIFNC-UHFFFAOYSA-N 438.561 1.998 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1760195447 BXSGJNYLOYQOBI-OAQYLSRUSA-N 427.530 1.495 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1760280485 FXWFXMPFVAGCKE-LJQANCHMSA-N 443.621 1.821 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1760281150 ZDPMSFMEBFLABG-UHFFFAOYSA-N 439.563 1.243 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760324466 KQUBGTQKOQLUQV-BQFCYCMXSA-N 427.571 1.314 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760348620 FEQSQELOXXVBLQ-INIZCTEOSA-N 425.555 1.120 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760428538 YHIYKHYVVQVLOJ-RBUKOAKNSA-N 437.610 1.695 30 10 IDEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1760452707 IDWSEVRMLZLUTD-KZNAEPCWSA-N 435.569 1.741 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1)C1CC1 1760476645 BBEGDJLUBCEYPY-NUJGCVRESA-N 439.582 1.581 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1)C1CC1 1760476678 CHPJFCQZCNDKBN-IBGZPJMESA-N 446.577 1.712 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CCN1CCOC(C)(C)C1 1760552250 ICQCWPFEQGXUCZ-UHFFFAOYSA-N 448.593 1.488 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCCN(CC)C(=O)C1 1760553376 SREYYCINYNWZOW-UHFFFAOYSA-N 431.562 1.913 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1nncn1C 1760557000 WSTVPHKDABVCHT-KRWDZBQOSA-N 442.549 1.335 30 10 IDEE C[C@@H]1C[C@@H](C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1762719113 LJAXBZXDBPTMNB-RKVPGOIHSA-N 448.549 1.606 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1766845010 KWVRRPZJWFKJAF-PMACEKPBSA-N 438.532 1.845 30 10 IDEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCSCCCO)cn1 1767455544 CFOBFEJJDGDNER-UHFFFAOYSA-N 440.533 1.329 30 10 IDEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1768743826 HJSITHYOKFKREP-UHFFFAOYSA-N 431.403 1.734 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1771224025 ZVEITXZHEYFIRZ-SJLPKXTDSA-N 434.541 1.570 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1771504346 RIUSWHJUBGMQSH-CALCHBBNSA-N 441.536 1.572 30 10 IDEE C=CCN(C(=O)[C@H]1CSC2(CCC3(CC2)OCCO3)N1C(C)=O)[C@@H]1CCN(C)C1=O 1852209428 YXMHIYROGSKCNQ-IAGOWNOFSA-N 437.562 1.209 30 10 IDEE CN=C(C[N+](=O)[O-])N(C)C(=O)c1c(C(F)(F)F)nn(C[C@@H]2CCCN(C(C)=O)C2)c1C 1852355033 ZMLDVRJDEWXDHM-CYBMUJFWSA-N 446.430 1.846 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C)C1=O 1852959785 ILQYQDSERXEBMV-SJORKVTESA-N 425.938 1.738 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N(C)C)c2ccc3c(c2)OCO3)c(C)c1 1853408187 YTPYIVDHORRVNO-UHFFFAOYSA-N 433.486 1.777 30 10 IDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3csc(-n4cccc4)n3)C(=O)C2)C1 1854948062 UXWURLGQJVYAFS-IAGOWNOFSA-N 426.546 1.985 30 10 IDEE C=CCC[C@H](C)C(=O)N1CCC[C@@H](N2CCN(S(=O)(=O)N3CCCC3)CC2)C1=O 1854970054 KISLSTGACWYUDB-ZWKOTPCHSA-N 426.583 1.065 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cc2cnn(C)c2)CC1 1855573768 FUKUCUOZJWBSII-UHFFFAOYSA-N 428.514 1.809 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)C[C@H]2CCCO2)CC1 1857274611 PSXRDKXKKJPZFZ-QGZVFWFLSA-N 431.514 1.986 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)cc1 1858375767 FLYAIFGBVDLTRC-QGZVFWFLSA-N 426.498 1.909 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@@H]1c1ccc(C#N)cc1 1889325794 COCVIEJEUNITFX-NDXORKPFSA-N 426.542 1.831 30 10 IDEE COC(=O)C1(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CN(C(=O)OC(C)(C)C)C1 2254792534 LHLJQRCTJHMXSF-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255596277 LUAXYZRQYUGFSL-OKILXGFUSA-N 432.330 1.648 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2255624583 GMNULCFCVYGOBC-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255699339 OVHMTAQAWQKQOC-YEJXKQKISA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255700777 IAGAIJBSDPSQSY-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255821987 IJYGZNVMAHGING-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2256618377 PXONFIFDAAMSBF-UHFFFAOYSA-N 433.314 1.549 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2256618808 SYUKSBDNPRECRT-MRXNPFEDSA-N 438.305 1.627 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2267172477 BCNMVZXHHKSWKJ-GOEBONIOSA-N 444.341 1.857 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2267601909 CWMQRHUHHVJHTN-HOTGVXAUSA-N 449.357 1.424 30 10 IDEE COc1cccc(C#N)c1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286022778 VAXMKFNXIHWLFZ-HNNXBMFYSA-N 433.442 1.688 30 10 IDEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339784702 DTWCFBGCTBSHSW-CVEARBPZSA-N 449.357 1.594 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1F 72444272 SGKNKMWGGBWYLO-HIFRSBDPSA-N 425.420 1.476 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)N(CCC#N)CCOC)C1 410160624 UWHGDNGHZNWICT-AWEZNQCLSA-N 428.477 1.216 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 461199784 ZNNOTRXYWJUPLM-QRQLOZEOSA-N 433.530 1.163 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)n1 463268452 SCQGCBOCHGMCHL-UHFFFAOYSA-N 425.468 1.356 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 465507621 DSDISDXOPPDUJW-LBPRGKRZSA-N 435.893 1.672 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)n1 478141530 YALMJFAYFAPZAH-UHFFFAOYSA-N 449.446 1.370 30 10 IDEE COCCN1CCC[C@H]1CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 478521018 JUVYOUJIFTZYFP-IBGZPJMESA-N 439.564 1.977 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 479346662 JQNAMYLCWJTHIT-QUCCMNQESA-N 435.532 1.724 30 10 IDEE CCNC(=O)COc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1OC 481053445 RCRVRCIUTJWCKP-UHFFFAOYSA-N 435.477 1.840 30 10 IDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)c1cnc(C)c(C#N)c1 489860073 NRUDCYGTCXAPKI-UHFFFAOYSA-N 428.923 1.480 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 492395665 NCHUTZMAWXAKOT-PGRDOPGGSA-N 446.548 1.163 30 10 IDEE N#C[C@@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccc(Br)cc1 499423236 RMCCPQPWGWCNAO-OAHLLOKOSA-N 441.293 1.879 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 508908826 WBYOAUPHCZMXLO-FQEVSTJZSA-N 441.532 1.842 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1F 518791495 YABYXUHPCHVYDS-KRWDZBQOSA-N 443.544 1.812 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N2CCC(C)CC2)nc1C 526839125 BJEFRNSMLSIYKL-MUUNZHRXSA-N 427.548 1.740 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCOC1 533545013 HYZRMTOOTHSCDX-HNNXBMFYSA-N 439.493 1.727 30 10 IDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)cccc2c1 538592056 UTUGUWNNQRSERP-OAHLLOKOSA-N 439.501 1.101 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 549639419 VJRAWYHUAKGQCG-INIZCTEOSA-N 425.555 1.194 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554124350 QNMCVJJDXWZOAP-UONOGXRCSA-N 434.468 1.706 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CC2=O)cn1 555394679 JRRHOORVGTYCER-LJQANCHMSA-N 432.488 1.582 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 559503861 FGAXNICMPNWKEC-UHFFFAOYSA-N 425.283 1.726 30 10 IDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 563477966 ZGINLQVGEZNTAE-UHFFFAOYSA-N 428.537 1.213 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1-c1ccccc1C 603990653 IJQKDEUWJLWQFH-UHFFFAOYSA-N 449.532 1.482 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N 604001418 OWAJPRBNEYANFX-UHFFFAOYSA-N 432.480 1.939 30 10 IDEE N#Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c(F)c1 610056245 KREXKSRKOLOVKN-UHFFFAOYSA-N 441.462 1.225 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670206956 TZAXZJWCGLEMDE-UTKZUKDTSA-N 440.596 1.705 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 732154888 VNUSLMJFLWYLTP-KMJMQOOCSA-N 437.422 1.959 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732698336 XQKIPKAJANKLJI-BUVGWWEQSA-N 430.534 1.703 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C[C@@H](C)C(C)C)C1=O 739399975 CJEIWGDPFXCJLN-REIJGHJJSA-N 440.591 1.562 30 10 IDEE C#CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCS(=O)(=O)C1 744398770 PPVOVJQQPZXNLH-OAHLLOKOSA-N 434.499 1.779 30 10 IDEE C[C@@H](COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CS(C)(=O)=O 757975012 ZKPJXXKWNHIJEB-AWEZNQCLSA-N 428.532 1.183 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 763936783 FRXVFVDPJUYBTM-SILNSSARSA-N 444.579 1.786 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](O)COc1ccccc1Br 765548109 FRWNIZAHMLFLEA-GFCCVEGCSA-N 426.292 1.820 30 10 IDEE CN1CCO[C@H]([C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccc(Cl)cc2)C1 766245849 GXXLUOKDGGCJLT-WMHBUWLTSA-N 447.923 1.537 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 769720681 VLKMWHNGRYNFIS-FKGLVLAHSA-N 435.230 1.397 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nsc(N(C)C)n1 771304466 ASCHMIHCWKYFJI-ZDUSSCGKSA-N 437.547 1.801 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c(C)c1 771536530 GGZHJMXHEUCEII-INIZCTEOSA-N 427.534 1.670 30 10 IDEE C#CCN(C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 774187300 GXVNTYAHRSXNOZ-IXDOHACOSA-N 427.567 1.854 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCC2CS(=O)(=O)C2)C1=O 786683241 QDXUYESJXQQILL-CQSZACIVSA-N 431.486 1.467 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)NCc3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796425612 QQKMYCMOBBPOAK-RXVVDRJESA-N 437.500 1.839 30 10 IDEE C[C@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)CN1CCOCC1 804021571 BGOFYDCLQRJFTG-MRXNPFEDSA-N 426.542 1.987 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 809887402 WVSNETYRETUHII-QGZVFWFLSA-N 434.541 1.877 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)c1cccc(Br)c1 821739256 FZOCJQFHUDKDNK-UHFFFAOYSA-N 437.271 1.914 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCNS(=O)(=O)c1cccs1 1127289683 GFJNNPKXZVBSID-CYBMUJFWSA-N 430.552 1.730 30 10 IDEE COc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)n1 1136509118 CIYXUKQAPUBWJO-OAHLLOKOSA-N 440.891 1.712 30 10 IDEE C[C@@H](CC(=O)N1CCC(n2cc(N(C)C)cn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1141471918 WBQSMFDNADSZNF-HNNXBMFYSA-N 444.561 1.630 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)s1 1141558076 NCWYPLSQZKWNKS-UHFFFAOYSA-N 434.499 1.450 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2cccc(OC)c2)s1 1147443603 VLXMZROFPPWNON-SFHVURJKSA-N 438.527 1.794 30 10 IDEE COC[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCCOC1 1155617716 GUMWUHKVJOJZDP-WMZOPIPTSA-N 437.562 1.843 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1158216039 PLOFLSHZYVDLMQ-UHFFFAOYSA-N 447.542 1.366 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC)C(=O)OC 1161357390 OVGUKPMJFMTOBV-GOSISDBHSA-N 442.493 1.741 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1163263316 GNVQZOWSTPWAAV-XOBRGWDASA-N 436.497 1.517 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN([C@@H](C)C(=O)NC1(C#N)CCC1)C2 1197759859 RUQZSXMCXDMGEG-CJKQYIFKSA-N 434.537 1.716 30 10 IDEE C#C[C@@H](NC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)C1CCOCC1 1223902539 SSSQQKWIRQPOHG-WOJBJXKFSA-N 429.517 1.588 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1286296097 MMUMMQKBKSDIRF-JYJNAYRXSA-N 445.536 1.894 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1286299377 VJVUNNSLEIHWHT-CVEARBPZSA-N 425.518 1.267 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286339156 JHRGGUHATPVURA-SFHVURJKSA-N 445.545 1.103 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1286434615 QNMVRCROYFRMRE-KRWDZBQOSA-N 438.536 1.990 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(N3CCOCC3)CC2)CC1 1286487735 XMQWWQHENISTLR-GOSISDBHSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)s2)CC1 1286490739 QVPXVICJVYALLQ-QGZVFWFLSA-N 426.546 1.613 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1286607845 KLSRDQSOTIWVEN-OALUTQOASA-N 437.610 1.838 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286687365 IUNILJQLVAXDMX-SJORKVTESA-N 444.623 1.940 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286809912 MKHCNVKDHGCFNL-KURKYZTESA-N 439.582 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCC)C1 1286822594 GSBGREOQPYFGAJ-MRXNPFEDSA-N 425.555 1.007 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1286832087 OKMJEEAFGIOWTB-MRXNPFEDSA-N 427.596 1.687 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(C)COCCO1 1287475682 XKRPALJWFMEDHL-VGSWGCGISA-N 440.552 1.659 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)c1 1290062879 HZFCSVJLOYHVLB-JOCHJYFZSA-N 442.495 1.856 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1300363372 YIQMJFPVQLNZAB-GOSISDBHSA-N 436.564 1.923 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300487239 IIYWSXKGPLWRJO-RBUKOAKNSA-N 444.605 1.943 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1300489234 KDDHZBOOMPJDKF-INIZCTEOSA-N 445.936 1.586 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@]2(O)CCSC2)n1 1300681571 UJUNTDOVBJZJBC-NRFANRHFSA-N 430.578 1.896 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC(C)(C)C2)CC1 1300685230 JRPUIEPNHAYKJR-DEOSSOPVSA-N 444.624 1.807 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(C)COCCO2)CC1 1300726283 JVHGAUASQBJGAX-QHCPKHFHSA-N 438.532 1.035 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1300755435 SHPHJZUEXXPPAD-UHFFFAOYSA-N 425.518 1.600 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1300780776 WPOFYBIRIXBGKS-XGHQBKJUSA-N 445.593 1.963 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1 1300805364 ASBYPCMOOISEKQ-SIKLNZKXSA-N 448.637 1.200 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1301950774 JIRQBYIGKRQQEA-UHFFFAOYSA-N 426.521 1.567 30 10 IDEE N#Cc1ccc(CSc2ccccc2C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1 1303994448 WWDXHLSQYFCDQL-QGZVFWFLSA-N 428.539 1.825 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@]2(CCOC2)O1 1305153757 FQIPZAXCHNNFRV-VGSWGCGISA-N 427.505 1.600 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@]3(CO)COCC4(CCC4)N3C)ccc2c1=O 1306877838 KYONSVZBRJEATG-JOCHJYFZSA-N 444.557 1.217 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)NCc1ccc(C#N)cn1)C2 1312809607 DYYGRRIERDGPSM-ULYRPOKDSA-N 443.504 1.941 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1314491142 YEGWNGVNZUXFHX-HXUWFJFHSA-N 437.504 1.867 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccccn1 1315070892 AJDUEHJQBRXMAU-UHFFFAOYSA-N 441.517 1.309 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1315813518 QQNJKKFFZRVNSC-MOPGFXCFSA-N 442.495 1.629 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCNC(=O)c2cc[nH]n2)cc1 1316532971 CMTFCEVRXRIGHP-UHFFFAOYSA-N 436.476 1.109 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1358872184 PZWNFNDHTYFDKC-HUUCEWRRSA-N 446.533 1.351 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1358939953 KZLNCZJCBYLHFO-QPPBQGQZSA-N 439.560 1.901 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358957646 XVHNMSLNLXNNLT-SQGPQFPESA-N 440.566 1.198 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358961201 TWQKBHDQOMKAFS-SFHVURJKSA-N 446.577 1.391 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1358978228 GWKLWURPMXECAV-IBGZPJMESA-N 439.541 1.485 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1358985737 GMDFVTYSVNYHDF-QHCPKHFHSA-N 427.549 1.652 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccccc1 1359018259 JPIOWYWKBKUWDI-QHCPKHFHSA-N 434.500 1.919 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(CC(C)C)c2C)CC1 1359038139 LSJIIQLBTCIYTC-UHFFFAOYSA-N 438.580 1.365 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359077538 FEFUHRQUOYYGPF-AWEZNQCLSA-N 434.360 1.126 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1359133498 SXFQCHCMFVHJKK-XLIONFOSSA-N 441.598 1.830 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2)C1CC1 1359247026 QNTFRQBJZILKIL-CABCVRRESA-N 425.555 1.586 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359341995 MHGLYNYNXFDJOP-CHWSQXEVSA-N 446.499 1.653 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1471528544 DAYMWIJGDZXYMR-XMMPIXPASA-N 435.480 1.976 30 10 IDEE C#CC[C@H](COC)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1477567708 HBNAJAITWMACHB-GOSISDBHSA-N 426.496 1.780 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1503851544 YTWVZUPOZWFIRX-RAJOGRCSSA-N 444.536 1.783 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504585269 HZDZUXFPEIJTIN-MOPGFXCFSA-N 441.536 1.774 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1505141908 ACBSJBVHNFVIHL-OAHLLOKOSA-N 434.522 1.061 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1507525529 HILVGZVUSHIOMY-HOTGVXAUSA-N 430.530 1.999 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1507558006 VDZISBNTPYEDFA-HNNXBMFYSA-N 436.582 1.187 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507595448 QELZBSFNGVQSIE-WOJBJXKFSA-N 430.597 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1507723580 NNYDPQJGRFZBJP-MOPGFXCFSA-N 439.564 1.661 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507746959 HFZMKKKQPXBCLU-MRXNPFEDSA-N 442.545 1.543 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCC)CC1 1507753400 MTAYUQPHOSNZHG-UHFFFAOYSA-N 432.594 1.510 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507892458 RMMAVUHSZXUGHR-OAQYLSRUSA-N 448.545 1.572 30 10 IDEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507926404 SBIMIOSAIWIBCB-UHFFFAOYSA-N 446.519 1.508 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507983312 PXZBRAHGDXBZQX-QGZVFWFLSA-N 449.552 1.826 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508087810 FALWCUPIGVHMTL-INIZCTEOSA-N 429.500 1.335 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCc2ccccc21 1519167440 CMUBESLQHQUYDP-QHCPKHFHSA-N 438.532 1.601 30 10 IDEE COC(=O)c1ncoc1CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1534105832 FWHAZIXLILFSNK-CJLVFECKSA-N 434.474 1.845 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CCO2)cc1 1538861772 LPGQMSJTHKCSKT-QGZVFWFLSA-N 447.538 1.854 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)Cc1ccon1 1539022391 JEVSEHPADUNQJC-AWEZNQCLSA-N 434.547 1.496 30 10 IDEE C#CCCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539139870 JCKNRHCXBJDXOE-NZQKXSOJSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nccc(C(F)F)n2)CC1 1539463207 XGVQVJLKQGCCNV-YJBOKZPZSA-N 447.490 1.533 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1539953361 QMXOWFQJGPVCRX-QGZVFWFLSA-N 440.614 1.939 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccccc2OC)C1 1540862328 ZDOPCPBLTKTMSU-INIZCTEOSA-N 426.521 1.721 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1540870605 QZVXGUALWVGDBF-CVEARBPZSA-N 434.541 1.578 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCCCC1 1541910938 GDNDNMGJINRQEN-QGZVFWFLSA-N 445.593 1.882 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1547254644 YEAOCCSCXWGQJO-IBGZPJMESA-N 426.521 1.975 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1547795961 MWQHHFPTUNIFMW-JOCHJYFZSA-N 440.504 1.901 30 10 IDEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1548273422 QUXNWYYUVRXFKZ-QRVBRYPASA-N 429.546 1.960 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)c1 1559036332 DLSQPXZONSNUQJ-UHFFFAOYSA-N 438.431 1.860 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)N(CC)CC)CC2)s1 1586364943 UVKFCEZOQPRZIY-UHFFFAOYSA-N 428.580 1.361 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1587614534 KCDQIZUZLLTHLB-QAPCUYQASA-N 432.488 1.577 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588064891 QRPYICACDNLIQT-FQEVSTJZSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1588223758 FUMLKZNTJBUQJO-OAQYLSRUSA-N 427.512 1.985 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1588871516 GFFZXZCCWANORE-HTAPYJJXSA-N 429.496 1.291 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1589482807 LWBRNJUPEQZTIG-LMMKCTJWSA-N 444.580 1.893 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1595595688 XXRNCHKVVZHMJM-SVMVAKDDSA-N 434.585 1.540 30 10 IDEE C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1611601871 ALFRPSRCAAXAFQ-NSHDSACASA-N 433.262 1.608 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)C1 1611767686 RAMRZZBIFBMWFG-KBXCAEBGSA-N 431.509 1.982 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(C#N)ccn1 1616933676 SPQADKQXUGCRIY-OCCSQVGLSA-N 426.395 1.947 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1617693570 NEWMPQLRZKZJAV-UXHICEINSA-N 431.585 1.174 30 10 IDEE COCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCOCC1 1619654808 NEQLGMIMMWYTCD-XMSQKQJNSA-N 449.552 1.491 30 10 IDEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1620284055 YHZGSESFTISPBK-UHFFFAOYSA-N 449.602 1.946 30 10 IDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)nn1 1624808550 AVWWEGQLBXSPAL-UHFFFAOYSA-N 426.477 1.968 30 10 IDEE COc1ccc(Br)cc1C1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1627295061 HHRIBWZPRVIOII-UHFFFAOYSA-N 433.262 1.787 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cccc(C#CCO)c4)CC3)C2=O)n(C)n1 1632751123 VNFDXEIKCVJFDW-NRFANRHFSA-N 435.528 1.026 30 10 IDEE CCc1c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 1640994875 BWBRBCLABVNBPS-UHFFFAOYSA-N 432.484 1.481 30 10 IDEE COc1cc(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1O 1641347062 ZCYAZGMAMYFUCP-AWEZNQCLSA-N 447.513 1.697 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@H](O)C1 1643023767 RQFAROQUWRPGHY-BPQIPLTHSA-N 428.489 1.398 30 10 IDEE N#Cc1cccc2c1CCCN2CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1646814147 NSNUDKUAELURHF-UHFFFAOYSA-N 440.525 1.970 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)cc1 1648188261 AWHXWUBTVKPKBZ-FQEVSTJZSA-N 444.557 1.223 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)OCC 1648779835 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OGPVFILIXBYUQD-PKOBYXMFSA-N 430.578 1.251 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1689989644 HPNMURAAYCBSAU-RDGPPVDQSA-N 434.562 1.390 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1689993826 MFHITPRYZJVHET-MRXNPFEDSA-N 443.558 1.099 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCOCC2)CC1 1690139552 RDAYGLINEVNFCK-UHFFFAOYSA-N 440.548 1.535 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2CCN(C(C)=O)CC2)CC1 1690143868 FISKWBSVLZYDCV-UHFFFAOYSA-N 426.565 1.770 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1690160019 UPXZCAMIVNVTFN-GOSISDBHSA-N 444.582 1.947 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1690358828 LOCUWEATRZVPBR-ZWKOTPCHSA-N 430.958 1.698 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690442558 VZTHLNWUHNFMML-QGZVFWFLSA-N 432.569 1.905 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1690565997 ZJXRKEDXECUNAD-WIYYLYMNSA-N 432.546 1.524 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OCC)CCOC1 1690653647 ZSSFBITYXJTTKJ-KKSFZXQISA-N 431.541 1.945 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(N)=O)cc2)C1 1690684764 NHDQAGPGNZJXCO-QGZVFWFLSA-N 427.509 1.737 30 10 IDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1693389662 AOSWBUPQIYWVAU-INIZCTEOSA-N 434.504 1.601 30 10 IDEE COc1ccc(OC)c(CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1697474514 DKDRPRJOOBNJQP-GOSISDBHSA-N 442.520 1.795 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)cc1 1697493081 GGHJJHAWCWYUIQ-UXHICEINSA-N 426.521 1.935 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492348 BRNIHWWMPNMIGY-UYAOXDASSA-N 449.490 1.476 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705561922 WZEDOQPUDVWQSY-CABCVRRESA-N 435.516 1.912 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COc2ccccc2O1 1705573133 ZYWQJLSHNIFFGI-QGZVFWFLSA-N 428.452 1.838 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOC)CC1 1705646206 UMSUSZHKMCWKLB-UHFFFAOYSA-N 425.489 1.676 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCC(C)CC2)CC1 1705650786 YSJRDYOLKGBREF-UHFFFAOYSA-N 449.603 1.962 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1705699672 KEPQBFGWAHWSNK-HQRMLTQVSA-N 433.553 1.972 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1705810812 IQEJKAKBNYQZEQ-CVEARBPZSA-N 428.541 1.887 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1705900668 LVABYEVYULOUEC-LJQANCHMSA-N 437.504 1.567 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2)C1 1705924996 IXQCQNWLFIUIDF-SJORKVTESA-N 433.534 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1705927783 GHJVGVXKPQKCOR-OAHLLOKOSA-N 427.571 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)c1nccs1 1705931809 BBLAYJRUYCPZDK-AWEZNQCLSA-N 435.579 1.976 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1706746618 CNSHDEKTODERED-WMLDXEAASA-N 436.513 1.537 30 10 IDEE CCO[C@@]1(c2nnc(N3CCCN(CC)C(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710474931 SJOJETFXXGELTM-NRFANRHFSA-N 428.493 1.502 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1722365013 JZEFYXWXTHXJMK-SFHVURJKSA-N 431.562 1.563 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN(C)S(=O)(=O)CC 1722430219 BAEPKIGXTBTRPU-UHFFFAOYSA-N 436.538 1.137 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OCC)CCOC1 1722464569 KCTFFRHNNJBZIM-FVJLSDCUSA-N 433.578 1.354 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1722638671 JFEDLCZONFQFNS-UHFFFAOYSA-N 436.520 1.380 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1)C1CC1 1722651058 PLWYFZJHOAXYQU-HNNXBMFYSA-N 427.596 1.661 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1722668876 DYVWWTCYHSFARH-UHFFFAOYSA-N 427.534 1.747 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCS(=O)(=O)C2)C1 1722709613 UIMJZOVKDSRHIC-CVEARBPZSA-N 425.555 1.022 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)Nc1ccccc1 1726405594 BIVJHLBAFLJGGU-MRXNPFEDSA-N 431.504 1.992 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1727816602 IZXRKLCKJSEONO-ZBIUQXJRSA-N 444.536 1.702 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1740531641 PVCFHQFWPKCKBO-OAHLLOKOSA-N 430.534 1.741 30 10 IDEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740566738 BQEUNVSJWCKXPX-WOJBJXKFSA-N 434.544 1.771 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(CCN(C)C)CC1 1740612172 IGBXSLPEKOZCDL-UHFFFAOYSA-N 434.592 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2csc(COC)n2)CC1 1740705977 PLKUQZXKFWDZGQ-MRXNPFEDSA-N 444.561 1.399 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1740961947 NOUGORHOHJANLV-SFHVURJKSA-N 434.500 1.842 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740963986 DJKHHXMCSDECLV-OAQYLSRUSA-N 428.468 1.015 30 10 IDEE C=CCSCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1741004462 BCNIHXVTKVZAEU-LJQANCHMSA-N 425.555 1.738 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)CCC2 1742499720 FNVPGQPDYDLUIH-IMJJTQAJSA-N 434.570 1.567 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCOC1 1742906402 IJPJQFGCWYQWPW-HKUYNNGSSA-N 438.532 1.927 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccnc2OCC(F)F)cn1 1748012869 DKQDBZSMQNRDPJ-HNNXBMFYSA-N 430.419 1.495 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1748888579 YMGMQZBBUUBMOT-UHFFFAOYSA-N 438.532 1.580 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1NC(=O)CC1(C)C 1748920247 GPUBHCYQPPKZNO-MRXNPFEDSA-N 443.577 1.612 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1748977323 GBAUTYBFZMAMNT-GAJHUEQPSA-N 440.523 1.791 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)N(C)C)CC1 1748984211 JGRGEXHXWXOOGA-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749227043 YSQFQOQROCCKKX-UXHICEINSA-N 445.612 1.427 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749268515 BZHFVIUJZRNCKC-HZPDHXFCSA-N 432.974 1.955 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1749655082 CHAKXGTZPLURMH-UHFFFAOYSA-N 442.520 1.323 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1CSC 1749655672 OTTXPAFHUQPCRK-MRXNPFEDSA-N 449.602 1.983 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1749700425 KFRBWSKQAJUJPF-GOSISDBHSA-N 430.534 1.489 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1749723669 AQOPJFABOMDYHK-UHFFFAOYSA-N 442.545 1.522 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1750081684 CXPYVGQEVBWMRV-LJQANCHMSA-N 441.532 1.848 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1751018413 UAENRZIUTARDSA-QFIPXVFZSA-N 446.552 1.308 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1751281687 FICQBOWUYNVRRF-RTWAWAEBSA-N 442.545 1.298 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCN(C)C2)c1 1760126467 ZRIWLUYCLXWOMQ-XMMPIXPASA-N 448.527 1.969 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760181361 SVFCFYGWVAALBU-ICSRJNTNSA-N 431.562 1.525 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760184272 IJUQGWYFVXDSLI-DENIHFKCSA-N 441.557 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1760217909 QSJLWSPNMVOBBA-GOSISDBHSA-N 445.527 1.778 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1760283016 ZAWMPFRDLCPZJL-OALUTQOASA-N 432.638 1.833 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCCNS(C)(=O)=O)CC1 1760393091 HXKBLGOATZWPHF-UHFFFAOYSA-N 435.550 1.961 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760442288 LOJWLKYTNJOWGV-KRWDZBQOSA-N 429.569 1.156 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1760516897 XNYPEIMSECQBNZ-UHFFFAOYSA-N 439.564 1.142 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1761360242 IURCSJJHADYTQV-ZDUSSCGKSA-N 434.522 1.569 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 1761961831 YPGKTKOSHRKAIL-MJGOQNOKSA-N 449.490 1.861 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1 1767011315 WFIWPCRPNOSEJY-UHFFFAOYSA-N 431.456 1.625 30 10 IDEE CCOCc1nnc(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1767794323 AFMVGSYFLPYGQZ-JXFKEZNVSA-N 441.536 1.316 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1768145542 DRCSCVDYMJSJTM-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1(C)C 1769086417 RLFGTMPJWOKTSJ-SFHVURJKSA-N 438.532 1.960 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC[C@@H]1C 1770658693 RCQQXAARULPINZ-WGGBDISSSA-N 440.548 1.657 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1772564741 BFBLZXSPKGMIFF-PMACEKPBSA-N 445.589 1.703 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCN3CCCCC3)CC2)cc1 1852809342 PQVDNIUAZSWAFF-UHFFFAOYSA-N 433.574 1.701 30 10 IDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CSc2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1857286805 ZRDMXXIATHZNNG-LPHOPBHVSA-N 431.558 1.881 30 10 IDEE CNC(=O)COc1cn(C[C@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870303608 BWUWOICMLYEIHY-LBPRGKRZSA-N 430.530 1.838 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1O 1874431061 JMBSXIKNUNADBW-UFFVCSGVSA-N 434.522 1.471 30 10 IDEE COc1cccc(NC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1OC 1889548600 KKLAKHUJQCPHRC-UHFFFAOYSA-N 430.549 1.968 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 1984991831 CKXCYGAEUTZAPJ-DBWCEAHUSA-N 425.526 1.828 30 10 IDEE C#CCN(CC(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2014683791 VWBLFBXPXRULAN-UHFFFAOYSA-N 439.553 1.983 30 10 IDEE COC(=O)[C@@H](CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)NC(=O)OC(C)(C)C 2060637024 FYOYKCBYNIVHCI-CTASWTNQSA-N 438.330 1.993 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2246499968 VSTWSOPQOROJTA-AQNXPRMDSA-N 428.533 1.983 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2247962553 PHJWEGRTFQRAAE-CABCVRRESA-N 446.375 1.464 30 10 IDEE C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255533996 ASXCXVUDRXBTDI-JQWIXIFHSA-N 447.288 1.971 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619405 OXJYAXBPXNBRTO-MNOVXSKESA-N 430.236 1.381 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629741 AHDHNTXRHURBFS-KGLIPLIRSA-N 434.346 1.942 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 2255648272 ARSOBZDRJGQZLX-CQSZACIVSA-N 434.346 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 2255692621 CBGAAMXGRDTRHS-STQMWFEESA-N 433.318 1.643 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](OCc2ccccc2)C1 2255778868 WWIIIWFAZLGXIJ-QGZVFWFLSA-N 447.366 1.699 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255817632 YVTCLRVPLMKFQI-UHFFFAOYSA-N 434.346 1.920 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)n1 2267541580 GCKSVDHBCCZXKM-GUTXKFCHSA-N 447.345 1.242 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NOCCCC(=O)O)cc2Cl)OC1(C)C 2284410140 RPPINRNVEGRRJJ-UHFFFAOYSA-N 425.721 1.775 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCSCCO)C(=O)[C@@]12C 2297591179 WRBPIYKXPAKWQO-QFIPXVFZSA-N 447.509 1.884 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)C1 2298015692 IFYPWIJVXUHURY-SOUVJXGZSA-N 441.525 1.057 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315530780 BDKKQOXLAWAJJZ-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(OCc2ccccc2)C2CNC2)n1C 2315627193 KNTDYQHYRIDLKE-UHFFFAOYSA-N 426.326 1.574 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)cc1 21324853 ZVWZXNBXCSHFBL-YDZHTSKRSA-N 426.506 1.640 30 10 IDEE C=CCn1c(=O)c2sc(N(CC)CC)nc2n(CC(=O)NCc2ccccc2)c1=O 21655866 IBQWZTJRDVHHBQ-UHFFFAOYSA-N 427.530 1.968 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)C1 22850744 QUMWFTLBVLPBJK-QHCPKHFHSA-N 427.593 1.539 30 10 IDEE C=CCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 33363287 MMOJQZGMJDFPJA-RVDMUPIBSA-N 446.554 1.811 30 10 IDEE CN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cccc(C#N)c3)cc2)[C@H]1CO 72321315 VIRFEGXLQZGBJU-DENIHFKCSA-N 436.468 1.160 30 10 IDEE biogenic Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1F 102748649 ACXFEQILUBEQRC-HQMFNGAOSA-N 428.464 1.920 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)CC2)c1 109364519 HRWWPEUWDRXEFM-JOCHJYFZSA-N 444.495 1.078 30 10 IDEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1OC 169907756 UIVSUNJNORQPOR-GIJQJNRQSA-N 436.402 1.749 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 443341024 KPMZVZVLSRRJSM-UHFFFAOYSA-N 441.532 1.133 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2C)c1=O 502050311 OLLIZKMOLZSBQT-UHFFFAOYSA-N 445.504 1.353 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508892128 BOLGJTQUYNIJMI-OAHLLOKOSA-N 425.493 1.828 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 517315743 OHDVPOROXLKYGG-UHFFFAOYSA-N 444.492 1.986 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)Nc2n[nH]c(CCCNC)c2C#N)[C@@H]1c1cncn1C 530371580 MGNVLSCLOZLXEL-AUUYWEPGSA-N 426.525 1.495 30 10 IDEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2nccn(C)c2=O)CC1 555290742 VFHPWZBJKNYJPX-UHFFFAOYSA-N 449.515 1.713 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCOC1 555521269 RQZIOYRDJFZGBB-ZWKOTPCHSA-N 441.536 1.632 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 561548820 MSXSAGSXGDRUOP-HZPDHXFCSA-N 427.482 1.764 30 10 IDEE O=S(=O)(O)c1ccc(O)c(/C=N/CCC/N=C/c2cc(S(=O)(=O)O)ccc2O)c1 585669842 XMLZMFDMVIGXFU-XOBNHNQQSA-N 442.471 1.519 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)ccc1F 609199091 BJGVAQXIKJNXJU-HNNXBMFYSA-N 441.481 1.968 30 10 IDEE N#Cc1ccc(N2CC[C@H](N3CCN(c4ccccc4S(N)(=O)=O)CC3)C2=O)cc1 615456991 QVCSFENLPZTXIF-IBGZPJMESA-N 425.514 1.133 30 10 IDEE C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671666038 IYNOHVORDBPRDX-SFHVURJKSA-N 430.530 1.851 30 10 IDEE COc1ccc(C[C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 730227153 VNRYXSATEWGQLM-AWEZNQCLSA-N 431.514 1.880 30 10 IDEE N#C[C@@H]1CN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CCN1C1CC1 732664320 HAORHMNZKUKIPG-HXUWFJFHSA-N 431.562 1.617 30 10 IDEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732700016 FASOONNPWMXGNM-HXUWFJFHSA-N 445.589 1.831 30 10 IDEE COc1ccc(COC(=O)[C@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C#N 747021940 ASXZLBXYTRVNIJ-AWEZNQCLSA-N 445.497 1.679 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 751920636 BVJYKRHXEKQDAN-NVXWUHKLSA-N 433.578 1.437 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 753168018 WWKKBUULWLTNJJ-JIQGDJCJSA-N 435.488 1.887 30 10 IDEE COc1ccc(C#N)cc1COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 772243410 KNGSWOJKSMFWKH-QRWLVFNGSA-N 432.498 1.955 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 780205047 KCXUNHVTXJXWMH-FQEVSTJZSA-N 446.481 1.235 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)n1 789043028 YYDIEHRVLMJCAD-OAQYLSRUSA-N 438.576 1.885 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 798806625 BMCZLJQODCRNDV-ZYSHUDEJSA-N 426.473 1.953 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@H](c2cccnc2)C1 800167271 FMVNYNFTFLDERO-SJORKVTESA-N 437.522 1.145 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC(C#N)(c2ccccn2)CC1 800355613 ILGRUMNYMOEWQK-QGZVFWFLSA-N 441.532 1.981 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)n1 805082885 CPLDHKYQFHOEQP-UHFFFAOYSA-N 447.485 1.350 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(Br)cc2)N(Cc2cnn(C)n2)C1=O 807939066 KCYHBABQRADWSR-CYBMUJFWSA-N 437.323 1.845 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(F)cc1 813563055 PIPKJJBHWHQPOV-XJKSGUPXSA-N 437.541 1.350 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1C#N 813686392 FZQGEWNUDNEQHN-UHFFFAOYSA-N 435.531 1.144 30 10 IDEE O=c1c(C=NNC(=S)Nc2ccc(F)cc2)c(N2CCOCC2)nc2ccccn12 873961904 YUUYGFLIKHHXHD-UHFFFAOYSA-N 426.477 1.991 30 10 IDEE CC(C)(C)OC(=O)NC1(c2noc(CC/N=C3/NS(=O)(=O)c4ccccc43)n2)CC1 904988320 RHDQIIHDQRVXRJ-UHFFFAOYSA-N 433.490 1.865 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1 914680283 WZYQNAHTTVSGDE-ZDUSSCGKSA-N 436.511 1.905 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 916775049 IOVPEDJJHWRJKN-UHFFFAOYSA-N 426.454 1.270 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)c1 1084636535 ZECDLVISPZHOTE-UHFFFAOYSA-N 440.489 1.833 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)c1cc[nH]n1 1141610848 RTNOKZSPWQFVGA-IBGZPJMESA-N 443.504 1.192 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)s1 1154653442 BPUFIKJVCNOBJC-CYBMUJFWSA-N 429.564 1.738 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)O[C@H](C(=O)OC)C1 1164534047 CCRVDZHNVRFEFP-BPUTZDHNSA-N 437.518 1.073 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1 1175514714 FRATTXSSSICLIZ-UHFFFAOYSA-N 426.498 1.164 30 10 IDEE C#CCC1(O)CCN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1224268017 YGTKXQJSATXCKN-UHFFFAOYSA-N 434.436 1.919 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)NCCCC#N)CC[C@H]32)CC1 1226132253 DTTDOYDWVLDPJR-IAGOWNOFSA-N 434.541 1.867 30 10 IDEE C=CCn1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)nn1 1265876278 BBRJTLXXBRQDRA-UHFFFAOYSA-N 433.310 1.623 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1286397455 ZMCGCMGXWLSVLY-RBUKOAKNSA-N 433.578 1.408 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286459901 WEJALGCKCKPPQT-ROUUACIJSA-N 429.569 1.652 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@H]1NC(=O)CC1(C)C 1286469908 MTTNRZDWXWBSTE-SFHVURJKSA-N 429.496 1.997 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCOC2)CC1 1286484190 FUMUTZYRCIYZIS-QGZVFWFLSA-N 428.562 1.451 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286505205 ZUHGTIAGGJLMKL-UHFFFAOYSA-N 436.545 1.402 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@@H]21 1286609268 ZDLHRUANNGKXDK-IKGGRYGDSA-N 425.555 1.192 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286716361 MBVJUZWQLRQIAZ-CEWLAPEOSA-N 446.596 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1286783084 GIQUKWKGPYITIT-UHFFFAOYSA-N 440.504 1.076 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286951342 VKMAVFNANCMFSP-LAUBAEHRSA-N 437.548 1.500 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1288506336 GNKDDUMTGGPLCN-GJZGRUSLSA-N 447.521 1.873 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1288521307 ZLEAZNSFYLVHIS-NCOADZHNSA-N 449.581 1.172 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1291189376 ABZQSZFHSQHJMI-NVXWUHKLSA-N 442.545 1.308 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1291306787 GSGVZYCVSWIZNA-IBGZPJMESA-N 439.564 1.306 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(O)(CNC(=O)OC(C)(C)C)CC3)CC2)o1 1299626899 HXKIFWQSYHWQBE-UHFFFAOYSA-N 447.536 1.949 30 10 IDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)cc1OC 1300028991 HPMUGTVZGJMYJD-UHFFFAOYSA-N 448.549 1.642 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)Cc2ccccc21 1300241631 ZXZSGXPSRGPTPR-HNNXBMFYSA-N 425.445 1.303 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300481371 ABOFTONFBHLYNS-AWEZNQCLSA-N 435.516 1.696 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1300488678 ULHWSVCBQVORQB-OAHLLOKOSA-N 429.506 1.224 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1300489287 LPDVVPXLEWCYKL-SFHVURJKSA-N 443.573 1.734 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300665193 HNFBQTICQSJWDL-MRXNPFEDSA-N 432.525 1.182 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N(C)C)CC1 1300710296 ZOYAEIMFTLBWRV-UHFFFAOYSA-N 428.562 1.422 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301251366 CBLGXFRFTCAVCP-GOSISDBHSA-N 436.520 1.415 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1301259273 JEUOHRCVSHKMDI-UHFFFAOYSA-N 444.580 1.832 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C)C1 1301481225 JQLVXXZVIUOCJD-CQSZACIVSA-N 447.565 1.074 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1301576886 BVRMMLKRJUBAAM-HOTGVXAUSA-N 438.525 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1301588462 ZVRWNCYSWYQGCB-UHFFFAOYSA-N 434.522 1.676 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1302131886 XKECPAUTGXBDCN-FUHWJXTLSA-N 447.561 1.850 30 10 IDEE CC(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1302758853 YVWTVLGWQLOLNM-QQMHEVNUSA-N 441.536 1.628 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1304902620 GDWYGJCPTAJDHM-DOTOQJQBSA-N 442.545 1.308 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cn(C2COC2)nn1 1305752446 QEGQORJZJUFZSJ-UHFFFAOYSA-N 441.540 1.538 30 10 IDEE N#CC1(C[C@@H](O)CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CCOCC1 1307562374 AAMIJQNOVZYNAP-ZWKOTPCHSA-N 425.526 1.640 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCCCNC(=O)CC2)CC1 1308157051 UYKVEXGVJVGFLK-UHFFFAOYSA-N 440.504 1.447 30 10 IDEE CCO[C@@]1(c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1314086241 ZGDTVUZATFGRRS-KUHUBIRLSA-N 435.506 1.066 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314810707 UTFKBHILIIDTSU-SKOAFDGASA-N 430.509 1.171 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc(C)s1 1315040182 DAVUXQZFNKCFRF-UHFFFAOYSA-N 426.506 1.509 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1316099787 DAQFIARRQMTQBI-UHFFFAOYSA-N 426.569 1.733 30 10 IDEE CS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1316348630 CZNIODFONLSLAN-UHFFFAOYSA-N 427.490 1.378 30 10 IDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1342595497 KXBWGNDFOHLMNT-IRXDYDNUSA-N 444.488 1.858 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1358949443 CAADRNQSFYKRFW-QYWGDWMGSA-N 435.525 1.196 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnn(C)n1 1359260748 MZQRZVCYSYYQJO-HNNXBMFYSA-N 446.512 1.084 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1359298161 PFTHOZZGCKFFOO-OAHLLOKOSA-N 442.524 1.531 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359300340 ZUOYBJKKYXQQGW-QZTJIDSGSA-N 432.569 1.164 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1359305229 WXIGLTLFDWZUTP-OAHLLOKOSA-N 431.468 1.688 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](COC)C1 1359329488 KNPNRUCVMYBWMS-OAHLLOKOSA-N 434.518 1.747 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359331191 QAUJTKHMHQCAKB-SFHVURJKSA-N 448.593 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359334731 OYSSPIKPXHJBIL-UHFFFAOYSA-N 433.534 1.387 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359341613 BWYUONGNEZKIAL-SJLPKXTDSA-N 434.610 1.838 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 1461072527 GHFZHVDGKNTJCG-WDEREUQCSA-N 447.298 1.964 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1C(F)(F)F 1462997836 KYXNWCLBBKPBMW-MADCSZMMSA-N 441.229 1.212 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1463611773 ZOMRNAJSEFFYER-ZYHUDNBSSA-N 431.312 1.760 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2cnnn2C)c1 1507549457 GQPGGLZXUJKDQO-UHFFFAOYSA-N 429.488 1.517 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630213 UTPPCPWMMNDXFL-QZTJIDSGSA-N 428.562 1.451 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1507651895 UTHCKFCUOIWYLK-UHFFFAOYSA-N 426.542 1.775 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1507661113 MXPUHQHCFBYZLU-XMMPIXPASA-N 435.528 1.735 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1507700476 QQJOSKUFJVXPOF-ZWKOTPCHSA-N 438.507 1.923 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1507795446 IDOSQKCHHDWPQB-SUMWQHHRSA-N 449.353 1.964 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1508012728 HULHOZJIAMDBMX-VAMGGRTRSA-N 443.596 1.694 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508080958 GYPSXJWNPUEOBV-SFHVURJKSA-N 436.520 1.361 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1508158948 ODSLELLESHFYAP-QGZVFWFLSA-N 445.545 1.934 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1518519972 WVLAXDITDDCPFA-NHCUHLMSSA-N 428.468 1.786 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1539013819 JYWZPVIDRKPIDB-HZPDHXFCSA-N 436.559 1.112 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(NC(C)=O)nc1 1539171252 JELWCASXHOJWAI-UHFFFAOYSA-N 442.483 1.663 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1539722449 NQWGFBPZDIHCQR-UHFFFAOYSA-N 442.568 1.742 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 1540453627 APJHALBQVXYVNF-KRWDZBQOSA-N 437.518 1.988 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)cc1 1540647568 ATMLILBDTVHZFA-UHFFFAOYSA-N 428.514 1.894 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](CN(CC)CC)C1 1540869105 BPWKVTJMVLVOET-MRXNPFEDSA-N 443.552 1.476 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(Cl)ccn1 1540869173 DSUFZNSFDLZWBM-UHFFFAOYSA-N 443.895 1.993 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OC)C1 1540892754 QYBXQBCZEKTDRR-DLBZAZTESA-N 433.534 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1540899784 ZUASTJPKNVIFFC-NRFANRHFSA-N 431.562 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540901233 WWMHKYMGGKIMKB-OAQYLSRUSA-N 447.561 1.517 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 1541104790 HJFXVVDXJIBMHQ-KRWDZBQOSA-N 444.557 1.421 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 1543348820 YGJPPBWGPYWNGS-SJLPKXTDSA-N 448.545 1.543 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(C)n2Cc2ccc(C#N)o2)CC1 1547141210 KTEBDXJCGWPAOX-UHFFFAOYSA-N 435.554 1.588 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1547904714 QBOURSIUNMHISX-JTSKRJEESA-N 442.520 1.796 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1555573819 DHINLZDLRACYHS-VGSWGCGISA-N 444.486 1.945 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1555996676 QHZNGBWUUROWLO-SFHVURJKSA-N 448.593 1.617 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)s1 1556734847 PJKZHEXWGIZSJL-CYBMUJFWSA-N 440.568 1.442 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1558373678 OPSJSDMYESYEJM-QFIPXVFZSA-N 445.520 1.850 30 10 IDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccccc1 1585919062 MECKLXDQLLLXSE-HXUWFJFHSA-N 427.526 1.878 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2ncn(C)n2)c1 1587689314 FVHPMPWGCJPQHM-UHFFFAOYSA-N 441.499 1.882 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1588065321 WURGPTXHKMMZEW-GOSISDBHSA-N 444.557 1.923 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588074090 ILRZNEQHBPZEAX-LJQANCHMSA-N 445.545 1.448 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1588420366 AJZTYGYXUPOWBB-UHFFFAOYSA-N 436.541 1.653 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)CC1 1588805802 BOGIGGWWOUKCHV-SFHVURJKSA-N 430.459 1.342 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1588930403 VLEZNIVPBCWEDX-HXUWFJFHSA-N 436.560 1.862 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1595115123 DTYLWDGAEHODRO-ZWKOTPCHSA-N 429.546 1.651 30 10 IDEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1595800686 VPWGAXOJLOPDDP-MRXNPFEDSA-N 441.981 1.824 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)OC(C)(C)C)n1 1612502236 FJQKZNWEOHCCHP-QGZVFWFLSA-N 444.540 1.783 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc[nH]n1 1618657179 FWCYPHPUXJBZDZ-QGZVFWFLSA-N 428.367 1.260 30 10 IDEE CO[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1619055904 IBCOOIPVWCGWOZ-NQIIRXRSSA-N 445.545 1.494 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1620354973 FQLOZRYSNBTGHU-SJORKVTESA-N 431.518 1.375 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 1622372138 DJEYBRKSONXYGL-UHFFFAOYSA-N 426.560 1.318 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cc[nH]n1 1627157209 MGCKALYNOSVDKR-GOSISDBHSA-N 447.467 1.022 30 10 IDEE CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 1628706013 DNGXIUQSKHNVBT-UHFFFAOYSA-N 440.485 1.412 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2c2ccccc2)C1=O 1631441013 GVHXYSJVWQAAKM-KRWDZBQOSA-N 427.457 1.316 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1632204527 DOGPKHQZRONFQL-UHFFFAOYSA-N 434.468 1.829 30 10 IDEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)CNc1ccc(C#N)cn1)CC2 1633259212 KSXCTKXFMJVLGW-UHFFFAOYSA-N 437.500 1.864 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(CNS(C)(=O)=O)CC1 1635212332 NJFYVUWXXYIVMX-INIZCTEOSA-N 430.571 1.751 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1636035607 CEHOHAFTGVJOQF-MSOLQXFVSA-N 442.520 1.637 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4cc(F)ncn4)CC3)ccc2c1=O 1637183099 FEDUMPOKAXKHPG-UHFFFAOYSA-N 426.477 1.763 30 10 IDEE C=CCn1cc(CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)nn1 1639561893 RQHGZHRCOWBORI-UHFFFAOYSA-N 435.225 1.840 30 10 IDEE C#CCOCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1640917279 BLHZRNFREKNKEH-MRXNPFEDSA-N 430.530 1.699 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN[C@H](CO)[C@@H]1CCCOC1)CCCC2 1653886847 CPNZVPZVMBSICC-FUHIMQAGSA-N 430.549 1.733 30 10 IDEE C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1654860389 BGBSWUDDRVXZTE-OAGGEKHMSA-N 440.504 1.394 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H](c2ccc(C#N)cc2)C1 1656288575 DUBVYVAJPVWCDQ-IBGZPJMESA-N 430.486 1.226 30 10 IDEE N#CCNC(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1656673818 YANJDCADNYBBIG-KSIVUZQRSA-N 426.492 1.163 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1661544324 JRZQOHHJMWRJEG-NSHDSACASA-N 437.312 1.824 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CC1 1675913737 PHWPXPQBVFWYJE-UHFFFAOYSA-N 438.981 1.947 30 10 IDEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1683288878 GOHOYRNPUHVYNW-KRWDZBQOSA-N 446.529 1.582 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(CS(C)(=O)=O)CC1 1690025210 IQJZLEHGAFJMSS-UHFFFAOYSA-N 445.570 1.167 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC1CC1 1690210694 IDFGKAUOVRZICL-OAQYLSRUSA-N 430.578 1.957 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690461134 UYLCLDDBARACQN-KRWDZBQOSA-N 438.598 1.836 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(N)=O)CC1 1690676425 ZKBKRLIQCQHQDY-UHFFFAOYSA-N 426.521 1.478 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1690681517 RYVXHRJZUDSRJG-MRXNPFEDSA-N 426.521 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(CC)C1 1690724477 PUOMSRWDZNVAOR-MAUKXSAKSA-N 430.596 1.407 30 10 IDEE CC[C@](C)(O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1693928314 UVPYGRUYKINZAL-NYVOZVTQSA-N 432.569 1.656 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)c1 1697514218 CWOGDMYUVORKEG-LJQANCHMSA-N 437.497 1.457 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1698079161 KQYTYVHFAYILMA-QRWLVFNGSA-N 447.540 1.571 30 10 IDEE COCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1698081073 HGDHHCQEKZOKBD-VRTBNJGNSA-N 445.568 1.259 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705523842 ABUCGNQDCTVPHL-QZTJIDSGSA-N 438.536 1.792 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705540264 RZKKSCWALRISKK-HMXCVIKNSA-N 428.581 1.922 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566950 SATUWYQAEVFRTB-ICSRJNTNSA-N 442.589 1.615 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1705580314 HUAMEJYMPHLZCZ-UHFFFAOYSA-N 436.488 1.593 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705598481 KLSAPJQASFEQPJ-IBGZPJMESA-N 441.557 1.525 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1705602824 CWUUCOHIXFHDLM-IEGUWTFLSA-N 443.548 1.663 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705618167 WIAGZLMACZXKDB-MRXNPFEDSA-N 435.525 1.737 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C2CC2)CC1 1705635376 XOFYDAJZXYHCJQ-WMZHIEFXSA-N 430.597 1.557 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOC[C@H]1CCOC1 1705668348 JMVSQTRHIHMICS-SQGPQFPESA-N 439.582 1.324 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1705860830 WWCQIYWIXHYZGE-QGZVFWFLSA-N 428.518 1.338 30 10 IDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)cnn1C 1707022643 GWCFGISGLFVRLZ-UHFFFAOYSA-N 434.504 1.378 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1711234368 FCVSWBFWHUOTOQ-UHFFFAOYSA-N 434.591 1.346 30 10 IDEE CS(=O)(=O)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 1712703863 MXBGJUIDYQIODR-IEBWSBKVSA-N 445.545 1.779 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1722317822 JZEURVTZKGHFMK-UHFFFAOYSA-N 433.582 1.461 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCCO 1722384688 XFUYTXCMRZDZCA-UHFFFAOYSA-N 445.564 1.864 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2c(C)cccc2C)CC1 1722440497 JTMDDCGYRWCQMV-UHFFFAOYSA-N 436.560 1.852 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722460759 LQHCODCYYVYOGT-FQEVSTJZSA-N 431.587 1.645 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722491302 JWEQSMPIMAWJDI-FCEWJHQRSA-N 439.520 1.574 30 10 IDEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722568416 LGCDIJHKUALTNP-NRFANRHFSA-N 432.546 1.872 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722616682 BEZFRTKCBSFEDB-QGZVFWFLSA-N 434.566 1.765 30 10 IDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1728495300 ANGAIJYEPUTVAV-QAPCUYQASA-N 428.534 1.286 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(CC(C)C)c2C)CCOC1 1728817594 MFQKVWPEJANELW-DENIHFKCSA-N 443.552 1.868 30 10 IDEE CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729719412 BRWRKKVCHHRONZ-UHFFFAOYSA-N 436.495 1.757 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740579235 LPLNNHRDPZMITF-QGZVFWFLSA-N 443.552 1.377 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1-n1cccn1 1740641403 IVAATPKCYNGYOI-UHFFFAOYSA-N 425.500 1.842 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN(C)C(=O)OC(C)(C)C 1740688347 PHFZZEJYGWKVEH-UHFFFAOYSA-N 434.541 1.353 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740885760 NMUZUACEZDEPFU-HZPDHXFCSA-N 425.555 1.225 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740951149 QIMJHQDZLKRQAF-KRWDZBQOSA-N 442.568 1.746 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740959779 DWWMMRDEULYUFT-GJZGRUSLSA-N 430.475 1.547 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCSC(C)(C)C1 1740986026 QHMXMLITDCYGRK-UHFFFAOYSA-N 427.596 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1740992947 PUINBGPKCKIHLC-INIZCTEOSA-N 447.561 1.145 30 10 IDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1744697184 PTQXXYWEESNEER-QFBILLFUSA-N 425.512 1.500 30 10 IDEE CCOC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1746566475 IZJNMFMXSOUXMS-YJBOKZPZSA-N 444.492 1.794 30 10 IDEE CCOC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1746607426 BHGZWVGZNGECQZ-GOSISDBHSA-N 440.552 1.996 30 10 IDEE CCOCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1747296663 VFZRVSIQNMCSNK-IBGZPJMESA-N 438.532 1.975 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(OC)nc1 1748121709 HPQJRBUVALDVDU-INIZCTEOSA-N 449.515 1.999 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[C@@H]1NC(=O)NC1=O 1748648756 CPSXCMJBCFOVDC-HOCLYGCPSA-N 432.488 1.781 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1748659003 ZQMYHBCQUQPFCC-GOEBONIOSA-N 431.518 1.556 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@H]2C)c1 1748692810 OYKCJQACRIFUDJ-KBAYOESNSA-N 441.557 1.892 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748956307 PAOMWDOKSKOLSX-UHFFFAOYSA-N 442.520 1.720 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1749115444 QDXLLALWNPSJLW-UXHICEINSA-N 444.580 1.848 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1749116006 YHBHBWLHPRMPBC-SZMVWBNQSA-N 445.568 1.392 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC 1749344171 GTYLEVLOVDCBDF-FUHWJXTLSA-N 449.533 1.013 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](COC)C1 1749736449 JGCASUPOWBMZSE-KRWDZBQOSA-N 444.561 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(CO)CC1 1749736895 RUTHKNRMZKWHPK-UHFFFAOYSA-N 434.562 1.687 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1750089002 LJPTVHGBZIENHU-UONOGXRCSA-N 434.522 1.285 30 10 IDEE CC(C)(C)OCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750516646 PUQONENZLFMAOT-UHFFFAOYSA-N 439.520 1.751 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C)C(C)(C)C1 1760105742 UFFMBVHRJLVMBS-SFHVURJKSA-N 448.579 1.405 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCOC1 1760121366 VBQRNACKCQBTPO-RDPSFJRHSA-N 438.576 1.252 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](COC)C1 1760152031 CTJPTHNOSCUFMG-INIZCTEOSA-N 432.550 1.503 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1760224883 BYFWPUOXXCMDSA-HNNXBMFYSA-N 432.550 1.098 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1760248451 MLQJVXUZYNXNGN-UHFFFAOYSA-N 444.536 1.203 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760287587 XXFZCSUKYMDOFR-FUHWJXTLSA-N 432.594 1.285 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O 1760355351 GYBAXVWYSYOKCV-UHFFFAOYSA-N 425.511 1.079 30 10 IDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760359101 GXGJTCVSAQYEMR-UHFFFAOYSA-N 439.607 1.995 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760389836 VGAGYNVYEFWZTN-RBUKOAKNSA-N 437.610 1.693 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760449738 STLLWUNFQVHKCA-QZTJIDSGSA-N 428.541 1.872 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1760504963 HCOIYCDLBBHFAM-SFHVURJKSA-N 432.546 1.898 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCCCO1 1760518393 SWXOAHOXKRUQBI-GOSISDBHSA-N 437.508 1.228 30 10 IDEE C=CCSCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568290 DWDLJPBKMCDLOC-QFBILLFUSA-N 444.623 1.861 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760677697 TUGFXRVCLZNIFR-HXUWFJFHSA-N 435.532 1.934 30 10 IDEE CCCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1765890563 FUPCWFXNQKSOIC-GOSISDBHSA-N 438.536 1.919 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cn2)CCO1 1771538511 DIFVGULMQPANGW-OAHLLOKOSA-N 431.884 1.257 30 10 IDEE C[C@H](O)C[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 1848437865 NRDGFMRATGBIKW-LQLWBDGNSA-N 446.540 1.688 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 1848609031 LSXKELPDGHPDOE-IBGZPJMESA-N 443.504 1.594 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](COCC(=O)N2Cc2ccccc2)C1 1849799464 VIANJFQFWCMDJU-UXHICEINSA-N 425.510 1.996 30 10 IDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC)c1ncccn1 1851170419 OHBPADLDRNZZDE-UHFFFAOYSA-N 432.502 1.729 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCN(C(=O)[C@@H]3COc4ccccc4O3)CC1)OCO2 1852123688 KXNQCVDETPKEJQ-NRFANRHFSA-N 435.436 1.340 30 10 IDEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1OC 1874342093 ZFJFQMXVVPQJEY-UGVMZYNRSA-N 433.534 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124524812 WRWULSFQRITIPE-MRXNPFEDSA-N 445.325 1.660 30 10 IDEE NCC#Cc1cc2c(s1)CCN(S(=O)(=O)CCCN1C(=O)c3ccccc3C1=O)C2 2206362588 PGCVGLKWDJBXNX-UHFFFAOYSA-N 443.550 1.433 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248401228 GSFJJEMNLCWGDF-WFASDCNBSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255771932 YJLLLZFRKZLBMC-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE Cc1c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266998792 IQLUJZYNVZCQKM-SFHVURJKSA-N 444.263 1.311 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267884222 NTLGUAKWMFQZFO-QHCPKHFHSA-N 438.337 1.143 30 10 IDEE CN([C@@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270539583 RZJRUGJXENLGHJ-STQMWFEESA-N 437.396 1.472 30 10 IDEE CC1(CCNS(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)OCCO1 2282408095 FUHJQUDXBYNRKK-UHFFFAOYSA-N 433.282 1.695 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 2297486923 OHTTWFGGKUMFGW-OAQYLSRUSA-N 449.529 1.318 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315685541 WXLHUJRKONTUAV-GHMZBOCLSA-N 447.288 1.971 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2cn(CCOC)c3ccc(OC)cc23)c1=O 2321658134 MTSLGBQGGONSGH-UHFFFAOYSA-N 445.501 1.525 30 10 IDEE C=CCn1c(=O)c2c(nc(NN=Cc3cc(OC)ccc3Br)n2C)n(C)c1=O 2328610281 BXYPRACJIVRLEQ-UHFFFAOYSA-N 447.293 1.837 30 10 IDEE Cn1nc(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2334262983 BGVXENCBKXGTGO-OFQRWUPVSA-N 446.357 1.847 30 10 IDEE C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16519652 LJWPBCDFRPHMKD-OAHLLOKOSA-N 443.485 1.800 30 10 IDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2nnc(SCC)s2)n1 22629016 CSWFHAHOWFYBTL-UHFFFAOYSA-N 426.549 1.309 30 10 IDEE COc1ccc(-c2csc(/N=C(\O)CN3CCN(S(=O)(=O)N(C)C)CC3)n2)cc1 27430976 KXRZBWAYLUAAPT-UHFFFAOYSA-N 439.563 1.831 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)CC1 105269591 XVAVPSQJNPAQGO-SFHVURJKSA-N 448.589 1.310 30 10 IDEE C#CCN(CC(=O)Nc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 111047352 PEWMXQHQJQZSLO-CQSZACIVSA-N 432.283 1.352 30 10 IDEE CN1CCC(C/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)(N2CCCCC2)CC1 305041008 VOTNZLOJXIFGMS-IBGZPJMESA-N 434.629 1.817 30 10 IDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1 466109040 TVYOVLDKUPLTIF-UYAOXDASSA-N 427.549 1.959 30 10 IDEE CO[C@@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 469347287 XNGZXYGSZYJHIF-HNNXBMFYSA-N 434.440 1.542 30 10 IDEE COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cc(C)c3=O)CC2)cc1 489112626 XYWOPRPCTLOZQE-LJQANCHMSA-N 425.445 1.483 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCNS(=O)(=O)c2ccccc2)cc1 503724504 IVCOEFBBCQYLDV-GOSISDBHSA-N 444.538 1.767 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 508476571 FJLMBEQZHJUHIX-LJQANCHMSA-N 443.504 1.532 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)c(F)c1 508920943 WWFXAXYSCFGIDQ-MRXNPFEDSA-N 427.477 1.712 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 511983338 PELVDWIZWUDTEV-NRFANRHFSA-N 445.541 1.891 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1C[C@H]1CCCO1 518720061 FHLILAKSCYMNBH-OAHLLOKOSA-N 446.598 1.527 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 522742930 MSHKGTZMUPHPLT-KRWDZBQOSA-N 431.489 1.977 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 552373939 WLMNTRVUNCHACZ-MRXNPFEDSA-N 427.548 1.308 30 10 IDEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 553445838 DTOULOYRBOOZRN-AWEZNQCLSA-N 448.505 1.158 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NCc1cnc2ccc(C#N)cn12 554866472 HDDGTHLZBLADKL-UHFFFAOYSA-N 440.529 1.763 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 555250153 CITALLHQCGKMRK-SOAGJPPSSA-N 446.596 1.759 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)nc1 566703158 GHTYEVLRECUDLU-UHFFFAOYSA-N 435.509 1.542 30 10 IDEE N#CCN1CCC(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CC1 589400100 FUMDOECICRNRKB-YAIJSEKYSA-N 444.535 1.570 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@@H]1CCCO1 603798211 JXSBUZITOZLJDM-SFHVURJKSA-N 441.553 1.053 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@@H]1CCCO1 614904015 AFTXBXQYMHIKBV-INIZCTEOSA-N 440.521 1.588 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCN(C(C)=O)C3)nnc12 646237866 JUHQTMCWTMYSHD-HNNXBMFYSA-N 440.529 1.307 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 725747217 PSBNSILTHXOLRC-MRXNPFEDSA-N 427.482 1.142 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CCN1C1CC1 732707060 UBNMFZITCLFZGP-HXUWFJFHSA-N 449.486 1.893 30 10 IDEE C[C@@H](CC(=O)OCCc1nnnn1-c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 745495877 IXAGJKKCYKWNEC-AWEZNQCLSA-N 440.485 1.265 30 10 IDEE CC(C)OCCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 748147525 DFYCBFFUXYREHO-GFCCVEGCSA-N 443.547 1.323 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)Cc2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 750432664 KJHUNGZKGIBFSZ-UHFFFAOYSA-N 446.463 1.501 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 755205112 XMKPWQCSVUZDLC-QZQOTICOSA-N 446.529 1.145 30 10 IDEE Cc1oc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1S(=O)(=O)N1CCCC1 760399838 DNKQWUCIHXMVPN-UHFFFAOYSA-N 443.547 1.906 30 10 IDEE Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1S(=O)(=O)NCC#N 763789450 ZRLKYZZYLHVWMA-DLBZAZTESA-N 433.486 1.355 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)cc(Br)c2)c1=O 772311348 MDZDNOZMSQJCOP-UHFFFAOYSA-N 442.338 1.396 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 774342882 ORHGCOQUHMXICL-INIZCTEOSA-N 438.502 1.391 30 10 IDEE C#Cc1cccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 783005303 ZZRWJHXHWDRIRA-UHFFFAOYSA-N 426.498 1.181 30 10 IDEE C#CCn1ccc(CN(CCOC)c2c(F)cc(S(N)(=O)=O)cc2Br)n1 788558831 OLBRKOMSXREJNQ-UHFFFAOYSA-N 445.314 1.718 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)n1 788693840 GKEVAEFCXORYPU-UHFFFAOYSA-N 425.894 1.794 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)n1 788814435 FAEVQXYAGUWDOJ-IAGOWNOFSA-N 429.521 1.238 30 10 IDEE N#C[C@H](C(=O)CC1OCCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 793122564 CGWXHXBFKWDGRT-QGZVFWFLSA-N 435.502 1.662 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccccc1 802328577 UFYIOYFPNYKSJJ-QFBILLFUSA-N 443.577 1.308 30 10 IDEE C[C@@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 803850883 UKMNDJRZYIEHKW-CQSZACIVSA-N 444.469 1.158 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 807708978 YAEXDPUPJHBVGK-XEZPLFJOSA-N 445.463 1.516 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1OC(F)F 837820028 YBTFBYKPZATPCV-AWEZNQCLSA-N 433.436 1.725 30 10 IDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1129748682 MSQQQAQUNLCPLO-HNNXBMFYSA-N 446.447 1.847 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1133887351 KCCWHBUQLXQHIV-ACJLOTCBSA-N 440.378 1.764 30 10 IDEE CN1C(=O)Cc2cc(CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)ccc21 1135094964 PRTCAGWNFQKMCF-GOSISDBHSA-N 431.452 1.599 30 10 IDEE CCOC(=O)CN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1149034063 RVHOGAGZWAFERH-OTQYULQBSA-N 448.564 1.871 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 1152967209 AFIPVTPSRARTEV-UHFFFAOYSA-N 439.335 1.085 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)c1 1157749890 RHOPLIIJJSZMKK-UHFFFAOYSA-N 427.482 1.522 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC#C[C@@H]3CCCCO3)CC2)cc1 1180363070 OJBHEHTWJXGQDR-FQEVSTJZSA-N 432.542 1.979 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)CC1 1222048126 WOTMVCVWPAJIIM-WMLDXEAASA-N 428.942 1.211 30 10 IDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCSCC1)c1ccc(Br)cc1 1226881645 HXVRZPZMXBPUEB-OAHLLOKOSA-N 446.392 1.801 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286334679 AGLATDGXYHTXIM-UHFFFAOYSA-N 426.496 1.931 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286369930 YAXXOYIQWXJBEP-HSZRJFAPSA-N 435.532 1.372 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1286376846 OSSQQFFMEGOSDR-ROUUACIJSA-N 444.561 1.196 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286393141 OXZZVLQEYWHALE-FQEVSTJZSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)NC(C)C 1286427655 DIRDICYHHHBTNS-UHFFFAOYSA-N 427.574 1.968 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCN1CCCS1(=O)=O 1286432410 JEGAHBOOHUXKJC-UHFFFAOYSA-N 425.558 1.562 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1286456544 RXEOFQALWJVQPM-XLIONFOSSA-N 440.523 1.729 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2nnc(C)s2)CC1 1286493066 DLLFSQSKHHYIGF-UHFFFAOYSA-N 436.545 1.438 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1286621090 ZPLFWAPVFZILCC-LSDHHAIUSA-N 447.005 1.774 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286670799 JYUVAIMCRPWXLJ-MRXNPFEDSA-N 426.525 1.418 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1)C1CC1 1286732051 IOPHOYZPSDWTCR-XAUMDUMWSA-N 439.582 1.771 30 10 IDEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1286735117 NTZRDWKDVIIUHF-UHFFFAOYSA-N 427.530 1.911 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1286758029 BCCWVDOOBBUXSQ-KURKYZTESA-N 439.582 1.462 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286783613 WTSZOVVNWZLECO-UHFFFAOYSA-N 432.488 1.742 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1286842747 ZZGHAGBXDJVICF-HSZRJFAPSA-N 435.532 1.742 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)C1 1286858633 CHOCTVGBHNBLFG-RTBURBONSA-N 426.525 1.127 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1291278736 BCZCIPMECKOJFX-AZUAARDMSA-N 440.548 1.801 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1293560437 JVVCGFPBFNZLCY-CRAIPNDOSA-N 432.550 1.760 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H](CC#N)c2ccccc2)CC3)CC1 1297662296 IJWDRTWXSILAGQ-QUCCMNQESA-N 434.544 1.647 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1CC 1300317682 SVIRTHNEZIUGNB-FQEVSTJZSA-N 447.591 1.760 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1300505130 XXQAEGULKZIVJB-QFUCXCTJSA-N 436.578 1.647 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1300554945 NSLIJXAJXMVPEL-QFIPXVFZSA-N 437.573 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(C)COCCO2)CC1 1300729324 VRPOVXSLLKCRQD-QHCPKHFHSA-N 429.565 1.782 30 10 IDEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301041077 XOLZYNWBMAZSNN-LJQANCHMSA-N 443.527 1.595 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1301273615 TWDKQXUATQGRKB-PKOBYXMFSA-N 448.593 1.412 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cccn2)CC1 1301477498 BNOZVJLYZNXNSG-UHFFFAOYSA-N 449.519 1.341 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301481227 JRRPSKJMNKXFLL-GUDVDZBRSA-N 441.532 1.482 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301493198 WDRMANABXZAHQM-QFIPXVFZSA-N 440.504 1.123 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301514734 MLBWPSWCVKJXSA-IBGZPJMESA-N 446.515 1.208 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1301535027 HFBATZSARNXJBX-CVEARBPZSA-N 439.520 1.621 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)C1 1301542488 BKEWPFHQJLLJDX-XXBNENTESA-N 449.596 1.822 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1302031786 ZHHCBTQODHSDTI-LAUBAEHRSA-N 437.564 1.470 30 10 IDEE COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C(=O)N2 1304126274 ULIPMMTWLGTYRO-YLJYHZDGSA-N 446.463 1.767 30 10 IDEE CCCN(C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1306783061 MMWQOZLJYKDYTN-IRXDYDNUSA-N 446.577 1.861 30 10 IDEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1309732983 KSRYJPCHMFDLGD-GFCCVEGCSA-N 428.454 1.234 30 10 IDEE CCCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1313484627 CJEYIMZACZUAIT-HZPDHXFCSA-N 425.541 1.695 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1314816904 MUPNAKGVRKOZFQ-XUTLUUPISA-N 437.504 1.729 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1358912889 AHUDKKTXJIAKJV-MSOLQXFVSA-N 439.582 1.277 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1358946064 GTQQYZHTSFSPSR-OAHLLOKOSA-N 440.529 1.179 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358957645 XVHNMSLNLXNNLT-QKLQHJQFSA-N 440.566 1.198 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1358959144 CPRMEJJDPXNIJV-JWRCQZCYSA-N 446.598 1.791 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358962582 SHIOSINGUIGMIN-MOPGFXCFSA-N 437.610 1.877 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NC(C)C)CC1 1359031308 XGHHEARXEHYOCY-UHFFFAOYSA-N 445.365 1.987 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359207983 CABIDZZJFHSOFW-KXBFYZLASA-N 437.570 1.340 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1359276152 UEOGAGAFRFHJMZ-INIZCTEOSA-N 435.550 1.679 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359302017 UOLBAOIAMOXHMQ-SFHVURJKSA-N 428.512 1.663 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)C)C1 1359319825 GSVNULONBLADJV-SFHVURJKSA-N 440.552 1.322 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CC1 1359561159 OWMOKDWDMFILRC-LIRRHRJNSA-N 436.488 1.553 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1360257372 LQPXSSIPTDWUBU-AYGAQVIVSA-N 447.565 1.273 30 10 IDEE C[C@@H](CN1CCCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1360596779 HBBQFHJWFVUDJB-ZWKOTPCHSA-N 438.536 1.776 30 10 IDEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1361251297 MJBYDQGKNNXUTM-NRFANRHFSA-N 441.513 1.904 30 10 IDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1438147169 KHVYWAGMXLAESH-QGZVFWFLSA-N 436.530 1.403 30 10 IDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)CCC1 1456399587 WEQPTBMHMGYANQ-GAJHUEQPSA-N 425.485 1.608 30 10 IDEE COCc1ncc2c(n1)CCN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)C2 1460621641 YRLNVKNBJZADHS-GOSISDBHSA-N 426.546 1.452 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)C1 1477814139 MAAHCARCKKYAMB-INIZCTEOSA-N 426.608 1.718 30 10 IDEE CCON(CC)C(=O)CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1478980327 NWIXYNJHVROCIO-UHFFFAOYSA-N 427.509 1.666 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1479312625 IZGNHKYJJSDPQL-SJORKVTESA-N 434.537 1.136 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCN(C)C1 1503112539 FJVVWIUKSMAWSO-QHCPKHFHSA-N 439.564 1.075 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C(C)C 1507522004 SVWZDGALAWEBKN-INIZCTEOSA-N 431.562 1.969 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1507524652 CEUKZZMTLRZOBV-INIZCTEOSA-N 444.586 1.653 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCS(=O)(=O)CC1 1507612351 RYPLNPVXLWUEII-UHFFFAOYSA-N 443.577 1.346 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1507643761 ZGWLEKOPUIHZRK-FQEVSTJZSA-N 435.528 1.967 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507726399 IJOFFXJNDOVSRY-MBSDFSHPSA-N 436.516 1.024 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507754238 VJNUHLBCXAKSDT-MRXNPFEDSA-N 448.593 1.870 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1508084051 GBZOVUQOBQZESS-OAHLLOKOSA-N 437.470 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1508141052 KYOTVPGGUGVNFB-IBGZPJMESA-N 436.626 1.363 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CCO1 1517535961 ICVYKZQIXDILGX-QGZVFWFLSA-N 449.519 1.163 30 10 IDEE CO[C@H](C)c1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cs1 1517752960 AKENOFKXOPRQEB-UKRRQHHQSA-N 431.522 1.455 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1518277338 MLQBMICWOIKMJX-IAGOWNOFSA-N 443.504 1.975 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1)OC 1518727506 MEFSUKVYLRXLDH-LJQANCHMSA-N 434.504 1.595 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1519371068 YJUJDMWSMBCNAV-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1=O 1519603010 LPIUWYFAVDODNB-MRXNPFEDSA-N 447.333 1.765 30 10 IDEE CSCC[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1520274675 BDPDQTPUBXAIGP-STQMWFEESA-N 426.568 1.979 30 10 IDEE C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccccc1 1526565414 LUBYNXJTNSLKAZ-FQEVSTJZSA-N 443.500 1.783 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 1533085535 KPUVUEWIKVMZKD-MRXNPFEDSA-N 427.523 1.706 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1OCC#N 1533717988 AQLDLOZBNJAQEM-UHFFFAOYSA-N 440.474 1.799 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1 1538983162 OLERSKQXLBUVAL-HNNXBMFYSA-N 427.534 1.568 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539225816 QCYYCADWIBLNJO-SFHVURJKSA-N 436.578 1.301 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NC 1539413501 LBCGMQGGIAPPDL-UHFFFAOYSA-N 437.504 1.452 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(-n2cncn2)nc1 1539417747 RZHZTZQDKNQHDI-UHFFFAOYSA-N 429.488 1.374 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@H]2CCCO2)CC1 1539460067 URZLUVWKZMQSSV-OAQYLSRUSA-N 441.580 1.481 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](C)(C(N)=O)C1 1539517256 KTDANMCGOUGSEL-UWJYYQICSA-N 427.530 1.859 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1540870722 VEHFIGLHQUDHKU-PMACEKPBSA-N 436.516 1.924 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CC)C2)C1 1540883689 CVWLNFGGPUAHGT-GVDBMIGSSA-N 426.587 1.011 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)NC2CC2)CCOC1 1541726159 UZOBMPYRYVVVJK-SFTDATJTSA-N 434.516 1.819 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)(F)F)CCOC1 1541733499 QVLODAONXONBIW-YOEHRIQHSA-N 433.431 1.974 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1541801833 FCQRLEAHLHWGGV-AWEZNQCLSA-N 434.504 1.457 30 10 IDEE CC[C@H]1CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1546677902 KYRFIKGNPQXEAE-CVTQAYBASA-N 427.509 1.306 30 10 IDEE CCNC(=O)C1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CCC1 1547755303 PDFURKUSTYEBMU-AWEZNQCLSA-N 427.509 1.908 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCO[C@H](C)C1 1548169112 CICMGMKECNZRFH-SJLPKXTDSA-N 442.568 1.870 30 10 IDEE CC(C)(C)OC(=O)NOCCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1558598085 QPYFAQBSQLSGGT-UHFFFAOYSA-N 426.495 1.078 30 10 IDEE COc1ccc2cc(CN(C)C(=O)Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)ccc2c1 1559456361 AFFIEVIIPFLVMM-UHFFFAOYSA-N 436.468 1.003 30 10 IDEE C#CCSCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1564114121 CTFOYQGHSMJLJI-UHFFFAOYSA-N 439.582 1.353 30 10 IDEE C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCN1C 1565833708 MSCBVITWZVLCRA-DNVCBOLYSA-N 425.493 1.736 30 10 IDEE COCCCn1nc(C(=O)Oc2ccc(C#N)cc2I)ccc1=O 1586274156 KFMVDICSESMXIE-UHFFFAOYSA-N 439.209 1.975 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1587835143 NCGRKJOLOYDPEO-UHFFFAOYSA-N 445.545 1.601 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)Oc2cccc(F)c2)CC1 1588806182 ITGPWFPYGHZEFG-QUCCMNQESA-N 440.523 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCCC2)CC1 1588923707 JZWSHQPCXNQGSF-SFHVURJKSA-N 438.580 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2ncccc2F)CC1 1588968349 JBPDUVSONUKOHG-UHFFFAOYSA-N 430.484 1.394 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1593741835 YRJVULWVEBZROT-FQEVSTJZSA-N 446.596 1.857 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1595178138 GMECKJOMVTXUCT-CABCVRRESA-N 431.584 1.034 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1595602226 HDRWHOUETYAELE-HZPDHXFCSA-N 434.541 1.783 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC2)C1 1597629217 BIMNCAFKKXHMKC-MWDXBVQZSA-N 432.525 1.814 30 10 IDEE Cn1cc(C(=O)NCC2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)cn1 1602932379 BLHZPAUBTMBZSM-GOSISDBHSA-N 446.552 1.976 30 10 IDEE C#CCOCCN(C)C(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1608104465 MHOPPXLNGXPFRC-QGZVFWFLSA-N 444.557 1.653 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1611314636 MGBVNVXIYDCEQE-DOTOQJQBSA-N 441.511 1.622 30 10 IDEE CCc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cs1 1613866836 BYBPTKQTLTZGGA-OLZOCXBDSA-N 425.584 1.888 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1617241058 JKNJVQWZRJEDGT-DHJUGAMNSA-N 441.532 1.988 30 10 IDEE COCC#CC(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1629365229 PTPOWCWJLWEPGR-VBKFSLOCSA-N 434.470 1.515 30 10 IDEE Cc1ccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1631390436 XZWJZESIPOZUAU-UHFFFAOYSA-N 444.381 1.594 30 10 IDEE CON=Cc1ccc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1633506164 RDTTYXFVPSRGTR-UHFFFAOYSA-N 430.530 1.403 30 10 IDEE COC(=O)[C@@]1(O)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1636664219 DEQGKIFONRGMID-VGOFRKELSA-N 429.473 1.529 30 10 IDEE C=CCC[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1636822877 VNPZFFRSWUIHEN-CVEARBPZSA-N 425.526 1.906 30 10 IDEE N#C[C@@]12CN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)C[C@H]1CS(=O)(=O)C2 1639174883 CXLWBQPNPLXEHD-LRDDRELGSA-N 426.376 1.766 30 10 IDEE C=CCOC[C@H](NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)OC 1639559268 WIRSDXIJAWTGDD-KRWDZBQOSA-N 448.520 1.613 30 10 IDEE O=C(NCC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)OCC(F)(F)F 1641452390 AMNDPWVBDWFKTO-BQBZGAKWSA-N 447.254 1.875 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(CN(C)C)CC1 1642675666 DLVKEYGUWGKANQ-QGZVFWFLSA-N 436.578 1.199 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 1643552459 OSFILKNGWGISBV-ZWKOTPCHSA-N 440.443 1.862 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H](O)C1 1643930636 FMIYCBLTDCOZSS-JKSUJKDBSA-N 441.481 1.223 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1646431309 MCTYVNVEJNPDQV-UHFFFAOYSA-N 427.526 1.489 30 10 IDEE CN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCC[C@H]1C#N 1647994032 XRHWKBFJDRVJLO-PMACEKPBSA-N 434.562 1.895 30 10 IDEE COC(=O)c1ccc(OC)c2c1CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C2 1648217942 JISBLNMLZQDBDC-FQEVSTJZSA-N 428.533 1.532 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)c1 1648239904 MYRIRVSAIOWLEA-UHFFFAOYSA-N 440.569 1.322 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C2)c1cc[nH]n1 1648583008 OPQMMHWUSGIYNU-RRFJBIMHSA-N 449.508 1.598 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)C1 1653699345 GOHDZQQGJNMYGE-UHFFFAOYSA-N 434.518 1.306 30 10 IDEE CC(C)CNC1(CO)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1654478705 FNYSNEZBXWIVEE-LJQANCHMSA-N 433.622 1.529 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C 1654840562 KDEYQBNONOBWCP-UHFFFAOYSA-N 435.546 1.024 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@@](C)(Cn2cccn2)C(N)=O)n(Cc2ccccc2)c1C 1656456212 HCPQSVGJACBJJJ-QHCPKHFHSA-N 433.516 1.694 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)OC)ccn1 1666116486 KRZAYRHARLQRKW-UHFFFAOYSA-N 437.518 1.892 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)ccc1C(=O)OC 1671751123 KDVNHEBKXPICNV-UHFFFAOYSA-N 429.336 1.954 30 10 IDEE Cc1c(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cccc1S(=O)(=O)N(C)C 1678394231 ABDHSSADYMBQEY-UHFFFAOYSA-N 428.518 1.866 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CC1 1681580759 NBZZFHYOOOWYJH-ADKAHSJRSA-N 427.505 1.316 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1689850971 KARZWOJWPQHKMK-IRXDYDNUSA-N 437.610 1.528 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1689852621 IBVVWFUYIJIDJY-SJLPKXTDSA-N 439.582 1.418 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1690093943 OLIYMKUNVOBFCE-VGSWGCGISA-N 431.512 1.710 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1690123997 CBRNASYCQAHKFW-AQNXPRMDSA-N 449.621 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690124258 IDGDVQRGJOKOAH-NJYVYQBISA-N 430.597 1.774 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN(CC)S(C)(=O)=O)CC1 1690137451 ZFZCXZCOJWYKLZ-UHFFFAOYSA-N 438.598 1.039 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1690604255 QTHWTVATGIYGLB-LJQANCHMSA-N 441.561 1.707 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C(C)(C)C)C1 1690684841 PNHGMDXXNWYRIK-MRXNPFEDSA-N 441.536 1.869 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690722198 AUESOQIVPQYDJN-IEBWSBKVSA-N 448.593 1.421 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1692578952 IEKWITVXLUVLES-FQEVSTJZSA-N 437.566 1.636 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1697296378 PMWSXRWVUFFCHO-GUYCJALGSA-N 441.492 1.689 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC2CC2)c1 1705476789 FEVARUAMRGOGPW-HUUCEWRRSA-N 432.550 1.578 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1705590471 MGJPGCOQPPYDFI-HSZRJFAPSA-N 429.565 1.504 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705729369 VEUMKOUPGRSNDD-QFIPXVFZSA-N 432.569 1.408 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1705836391 RFVJWLWYGPBCGR-LBPRGKRZSA-N 436.314 1.657 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)C1 1705896319 ISNZIBAYTUCNOU-UHFFFAOYSA-N 425.312 1.008 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[C@@H]21 1705904546 RLOHVEUICAWRLV-IKGGRYGDSA-N 446.552 1.877 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1705908657 SWLOMSBVXCXEPI-UHFFFAOYSA-N 444.511 1.608 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706609926 KIJFBYLOVFFPSQ-IGGDJGDASA-N 443.552 1.815 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722290579 YHGZCBSWXVYYCN-JZXOWHBKSA-N 431.566 1.341 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722321937 LUOQELYHDLEFDM-SFHVURJKSA-N 434.504 1.749 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccccc1 1722427982 AKTYIFCGMYDEOW-MOPGFXCFSA-N 432.546 1.654 30 10 IDEE C=C(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1722526153 PZXADSQWSVAGHZ-VGOFRKELSA-N 438.536 1.883 30 10 IDEE C=CCCOCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722626646 GVZFAEJTYUIIAJ-OAQYLSRUSA-N 436.557 1.373 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722631758 WANFDHYYHOWDPD-OWCLPIDISA-N 428.603 1.398 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722695955 WGXXGCXQJWRQBI-QGZVFWFLSA-N 443.939 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722697876 SJXSEPSDIAGZJT-QFIPXVFZSA-N 436.520 1.436 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1722706730 XLLIXVYHPCOYKI-IBGZPJMESA-N 442.545 1.915 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nncn2C)C1 1722722819 SDJUSASEJNDEPV-INIZCTEOSA-N 425.493 1.824 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1722861315 IPEHBNMKJKSLDW-INIZCTEOSA-N 439.520 1.636 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCSCC1 1723784232 DDLAILLUKMOVJL-INIZCTEOSA-N 443.577 1.478 30 10 IDEE COC[C@@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730498546 QOVVQSHFWUAXBH-GOEBONIOSA-N 447.540 1.431 30 10 IDEE COCc1nocc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1730536299 DEIAETCKNJUMJY-ZDUSSCGKSA-N 437.526 1.201 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1730537005 INYPXTPPYRTQIO-KRWDZBQOSA-N 442.501 1.623 30 10 IDEE C=CCOCC(=O)N(Cc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1O 1735795803 QUTPYKXDWOQDGC-PKFZQDLRSA-N 426.513 1.213 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(CS(C)(=O)=O)cc1 1740598614 WZZFOKCYIMAWJT-UHFFFAOYSA-N 431.562 1.859 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740621994 RQIHRQOBNYZPEU-MRXNPFEDSA-N 430.530 1.495 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1740626107 SCTXIXIYCCHOLS-HXUWFJFHSA-N 438.557 1.760 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(N)=O)c1 1740657877 AKGOLNGNBSKASX-UHFFFAOYSA-N 429.528 1.944 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2COCC)CC1 1740689125 PIDCIIWNVNZEPN-UHFFFAOYSA-N 436.560 1.854 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)CC1 1740696573 XYUKDHBAVMZCMW-OAHLLOKOSA-N 433.450 1.844 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OCC)CC1 1740720182 QYJATPCABKFINM-UHFFFAOYSA-N 431.566 1.785 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740744838 GQHHMCWFDDKMTR-BBRMVZONSA-N 425.375 1.738 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(O)(C(F)(F)F)CC1 1740952649 KCIBJQXVEYHSOR-CYBMUJFWSA-N 435.447 1.198 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1740960757 ZSEBPLAXDGVALY-LJQANCHMSA-N 444.580 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cnccn1 1740995205 DGRQPBUJHJZGTJ-CQSZACIVSA-N 436.448 1.856 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2COCCO2)c2ccccc2c1=O 1746469278 BMHLRLCFAFOYKV-HZPDHXFCSA-N 437.504 1.829 30 10 IDEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)c1ccco1 1747547243 BVYLJCNTTUHILX-SFHVURJKSA-N 440.529 1.947 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1748666624 FFAWKZTUOWSDSY-AZUAARDMSA-N 436.564 1.294 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(CCN(C)C)CC1 1748771414 LHQXTXQZAQUQAQ-QHCPKHFHSA-N 432.613 1.662 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1748811067 AYIQUMZILDEBHC-HNNXBMFYSA-N 439.488 1.639 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1749053227 DIFNRRRIFNJNIU-JXXFODFXSA-N 431.566 1.340 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749209345 ULUBJFYYUCPYIA-RDJZCZTQSA-N 427.571 1.486 30 10 IDEE C=CCCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749438091 QNIDDGWHAOXATD-SFHVURJKSA-N 438.532 1.533 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749664711 XRRCEKOGPDZEOJ-HUUCEWRRSA-N 435.550 1.514 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749677901 OHIQHOIRLAIIQG-GOSISDBHSA-N 442.568 1.135 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)NC)C1 1749696526 VDLYXAYPZPBMCR-MRXNPFEDSA-N 436.494 1.184 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(C(N)=O)CCOCC2)C1 1749715667 UYWSQWISRYJNJL-SFHVURJKSA-N 426.521 1.327 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1750044456 LKTWDGWKVVHYAY-QGZVFWFLSA-N 428.493 1.659 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@@H]2CO)CCO1 1750389044 VTMCXXQJWJHUBR-UXHICEINSA-N 442.539 1.974 30 10 IDEE CC(C)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1750524563 PQSPSDDDKCSDAY-INIZCTEOSA-N 431.928 1.833 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1751399842 CDLDORWQTRKKLX-YADHBBJMSA-N 428.512 1.983 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)n1 1751623241 IJFGITOCHYZXNF-MOPGFXCFSA-N 425.537 1.614 30 10 IDEE C[C@@H]1CN(C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1752268233 BWVVPAJXYVPOKD-KURKYZTESA-N 425.537 1.957 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760182592 GSDUACWECVRBNW-DNVCBOLYSA-N 437.953 1.781 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1760264176 DRXISIGKQIWQND-UHFFFAOYSA-N 449.559 1.789 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCn2ccnc2C)CC1 1760270411 XBPZQAPMUDDXRX-IBGZPJMESA-N 425.537 1.343 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760332732 ALIZUFQFRQJAHW-JZXOWHBKSA-N 432.550 1.730 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760537611 PTVRTCACZSMSIX-IAGOWNOFSA-N 435.550 1.909 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OCC2CC2)CC1 1760553751 HRKNCGXYZRKQHS-UHFFFAOYSA-N 434.566 1.675 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCC[C@@H]1CO 1763016495 CFJYYQXPZNIZGO-GOSISDBHSA-N 425.537 1.612 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1766586171 BIZJLLXNEMIXDL-QFBILLFUSA-N 425.537 1.498 30 10 IDEE CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C1CCCCC1 1766978571 OSJITVJWHVBDSG-SFHVURJKSA-N 448.549 1.893 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)CCO1 1767726159 CVXVEQLYPZBZBL-YOEHRIQHSA-N 430.534 1.431 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1768259961 TWNGBDYSCWTKJY-UHFFFAOYSA-N 442.501 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)CC1 1772660022 INWBACKNNNYCHS-UHFFFAOYSA-N 441.916 1.665 30 10 IDEE CS(=O)(=O)N1CCN(CCNCc2c(F)c(F)c(F)c(F)c2C(F)(F)F)CC1 1848709353 MIEWGFWUNAEXSX-UHFFFAOYSA-N 437.381 1.929 30 10 IDEE N#Cc1n[nH]c2c1CN(C(=O)C1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CC2 1849458100 RVGQEMYTKGPJAV-UHFFFAOYSA-N 433.921 1.920 30 10 IDEE N#Cc1cc(CNC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c(F)cc1F 1849992673 NVCFISGQDIKMNN-UHFFFAOYSA-N 440.394 1.561 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1851985368 FYVIUIBWUYXDOC-KBPBESRZSA-N 425.555 1.035 30 10 IDEE Cc1ccn(-c2cc(N3CCN(C(=O)c4cnc5c(c4)c(C#N)cn5C)CC3)ncn2)n1 1852531233 GRMWPCNMVNZNAY-UHFFFAOYSA-N 427.472 1.692 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCCN(C)C 1870545243 UICXTPNRFSWTRY-OAQYLSRUSA-N 446.592 1.648 30 10 IDEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561548 RQXBWJKJCZFOBZ-UHFFFAOYSA-N 427.505 1.421 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCN(CC)CC 1870583163 HPNLKTVNBXOFSZ-UHFFFAOYSA-N 446.592 1.602 30 10 IDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871655042 NVHSQGYKKNYOSJ-UHFFFAOYSA-N 441.902 1.966 30 10 IDEE C=CCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(=O)n(C)c(=O)n(C)c21 1873599229 MKSADSRPXLDFLN-UHFFFAOYSA-N 426.473 1.214 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCc4c(ncn4C)C3)CC2)CC1 1889303360 LNMRDFTVDFNBKM-NRFANRHFSA-N 441.620 1.562 30 10 IDEE CN[C@](C)(C#N)Cn1c(C)nc(I)c1I 1928098716 OFMHNBZLATVBSY-SECBINFHSA-N 430.031 1.902 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2010124699 YQZLKIHBWJNCLP-ARFHVFGLSA-N 440.541 1.918 30 10 IDEE C#CCn1ncc(N[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2133754405 CLOJZCYAPSCIPP-QGZVFWFLSA-N 427.299 1.423 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCO)cc1 2164496353 JXAVIJOQCAWJEL-NRFANRHFSA-N 430.457 1.797 30 10 IDEE C=C(F)CS(=O)(=O)Nc1cc(C)c(S(N)(=O)=O)cc1I 2240654541 SIUAWPMFJVKBAH-UHFFFAOYSA-N 434.252 1.472 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243675424 WJAWQYWFKVLQEN-CYBMUJFWSA-N 426.344 1.549 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)n1 2255607908 FKQQOWHYVWOPIX-ZDUSSCGKSA-N 435.334 1.147 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818085 GIVPZHRNCMKMDT-UONOGXRCSA-N 434.346 1.847 30 10 IDEE Cc1ccc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2264092481 DBFZZLVRMOGYQO-QGZVFWFLSA-N 434.342 1.796 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2CC[C@@H]21 2267194002 ASQQJEMNYQIZPI-HOTGVXAUSA-N 444.341 2.000 30 10 IDEE Cn1ncc(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267514946 HHWZYRDKHVKGNK-RCDICMHDSA-N 446.357 1.706 30 10 IDEE COc1ccc(C=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1OC 2328610405 SGJPWOMVSFMOPE-UHFFFAOYSA-N 448.483 1.945 30 10 IDEE COc1ccc(OC)c(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329056397 UQYRIIHILFYAKD-OAHLLOKOSA-N 433.534 1.986 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)n1 2337024554 NQLICPRTWILFRG-HNNXBMFYSA-N 442.291 1.488 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2337201275 SRQVRUKFRMTIJR-KDURUIRLSA-N 436.365 1.923 30 10 IDEE CC(=O)NCCCN(CC(=O)NC1(C#N)CCCCC1)CC(=O)NC1(C#N)CCCCC1 31464979 VCJLQRPSSRRWSC-UHFFFAOYSA-N 444.580 1.500 30 10 IDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@H](C(=O)O)C3)C2=O)cc1 96573408 ICOZQOSDDYIBAW-NYHFZMIOSA-N 429.473 1.732 30 10 IDEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 102521434 UOCKYIFAPLBHLV-DQVIVYRFSA-N 447.495 1.792 30 10 IDEE Cn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C\Nc1ccc([N+](=O)[O-])cc1)C(=O)N2c1ccccc1 106943138 OZKXNCVRUKBWSF-FOWTUZBSSA-N 447.407 1.849 30 10 IDEE C=CCNC(=O)[C@@H](C)Oc1c(Br)cc(S(N)(=O)=O)cc1Br 215951145 NWFYSFXFZKIPLF-SSDOTTSWSA-N 442.129 1.929 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCCCCNC(=O)CC2)cc1 257180095 DFUOWQWVSYZIET-IBGZPJMESA-N 432.546 1.620 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)C2=O)cc1 427990171 HLOOLGJJNVLITH-JAVSIYHUSA-N 446.507 1.388 30 10 IDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 472578110 FIKSGZXCSPMWCN-GFCCVEGCSA-N 433.465 1.482 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CC1 483623205 JTKTXFVLJVQLEE-UHFFFAOYSA-N 429.443 1.195 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 500827986 NNCGBBUKHKZNSW-AZUAARDMSA-N 435.546 1.615 30 10 IDEE Cc1ccc(C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1S(=O)(=O)NCC#N 518216015 DOHBGLDASXAVRS-UHFFFAOYSA-N 437.481 1.654 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1C[C@H]1CCCO1 521297690 SZCBZQNWADHCPJ-CQSZACIVSA-N 431.583 1.742 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(CS(N)(=O)=O)c2)cc1 522584071 JFKLOLODJDGIAG-KRWDZBQOSA-N 430.511 1.501 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)cc(Br)c1O 522675653 JCHSMOSUKUHQNS-UHFFFAOYSA-N 449.326 1.796 30 10 IDEE N#CC1(c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)cc2)CC1 538534514 ICKRSDXTULWICU-UHFFFAOYSA-N 428.470 1.080 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)n1cnc(C#N)n1 539504837 SBWHZLLGNRKCEM-OAHLLOKOSA-N 430.534 1.541 30 10 IDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 543677146 CVIDTSWGTCIFEZ-UHFFFAOYSA-N 432.546 1.149 30 10 IDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 564489688 QSAWSCXBLFAXJO-UHFFFAOYSA-N 428.518 1.235 30 10 IDEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 582738906 KFBHPVQVLMGOSE-GOSISDBHSA-N 427.509 1.386 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@@H]1CCCO1 590914006 LTVJYBNFQQINAO-INIZCTEOSA-N 427.526 1.127 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 609026065 IJYQVKIBBADPIQ-MRXNPFEDSA-N 428.514 1.582 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 685550863 IUGMFQKMOFYXKI-ROUUACIJSA-N 433.534 1.844 30 10 IDEE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732467646 WDDNTXSABFMPMM-IGGDJGDASA-N 427.461 1.334 30 10 IDEE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732669710 OQVHQXFAJKAGRK-IEXSPKMKSA-N 435.502 1.251 30 10 IDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C1 732675096 WPUOGARAFMYXBN-YLJYHZDGSA-N 445.589 1.989 30 10 IDEE CCN(CC)C(=O)CSc1nnc(S[C@@H](C(=O)OC)c2ccc(C#N)cc2)n1N 741736111 GLWWQSVFJKUSAQ-OAHLLOKOSA-N 434.547 1.830 30 10 IDEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(CCOC)c2)c1=O 743727191 DKCQEBGULJKFFV-UHFFFAOYSA-N 438.509 1.167 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@@H]2C)CC1 747736291 DGRQIRKCFYPJLF-GOEBONIOSA-N 427.501 1.900 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 748066786 VBWRWHJRXAWNSU-UHFFFAOYSA-N 425.510 1.387 30 10 IDEE COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 749518896 LKZSEUAIXALOSO-OAHLLOKOSA-N 429.498 1.563 30 10 IDEE COC(=O)c1cc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 777945905 ROADLXDDNWKZON-SNVBAGLBSA-N 434.337 1.658 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1 781397925 PROCOQHHFTXADI-CQSZACIVSA-N 439.493 1.758 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1 782859468 XOLOLTGYTSMZAK-YDHLFZDLSA-N 434.518 1.211 30 10 IDEE CCOC(=O)c1ccc(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 784180649 DYTRNRPATBOVSA-UHFFFAOYSA-N 444.465 1.718 30 10 IDEE C[C@H](CC(=O)NCCc1nc(-c2ccccc2)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 784789395 CDLGWZAFJFMCAZ-CQSZACIVSA-N 438.513 1.648 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)c1cc[nH]n1 800581481 ITFUEGYYXGZHBN-OAHLLOKOSA-N 428.493 1.633 30 10 IDEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)c(F)c1 802571611 IEMFPGLHORMNEL-IBGZPJMESA-N 437.406 1.540 30 10 IDEE CCOCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802628599 SQNHQSVWAULCQK-KRWDZBQOSA-N 443.577 1.873 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 804454871 AYXCBJAQGHWGPO-SBHAEUEKSA-N 430.501 1.700 30 10 IDEE COC(=O)c1sccc1S(=O)(=O)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 805843853 UYZLUXRVXFXYLA-GFCCVEGCSA-N 437.474 1.877 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)n1 807753518 BPIVSHACSHFTCX-GOSISDBHSA-N 434.500 1.554 30 10 IDEE C=CCS(=O)(=O)NC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 810643368 JRQJOVKEHZHKNH-NMTFTXLRSA-N 426.494 1.098 30 10 IDEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 917768538 PTTCPGWHSIJZOH-HNNXBMFYSA-N 440.550 1.578 30 10 IDEE COc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)N1CCCC1 1134522266 MUFPUOLXOOXKCW-UHFFFAOYSA-N 434.514 1.958 30 10 IDEE C#CCCN1CCC(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 1147843103 GYIAPBQISPPSAY-FQEVSTJZSA-N 429.517 1.839 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 1214687472 PXWHVEYYXSKKFC-UHFFFAOYSA-N 442.563 1.135 30 10 IDEE N#CCCN1CCN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1224268330 ZJSIKAJQQSZQSD-UHFFFAOYSA-N 434.440 1.600 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)cc1 1235143470 NYARDBULDHJGAO-GOSISDBHSA-N 425.537 1.647 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1286294198 BZENRFFUWPNEDJ-BZSNNMDCSA-N 440.614 1.045 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1286380358 BUOLPVMIYPLBNX-GHTZIAJQSA-N 436.578 1.747 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1286445684 AJKWCAGQHGXWMZ-JTBPQFFMSA-N 439.582 1.815 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N(C)C 1286461306 QOQQKIJAAXZTIY-GOSISDBHSA-N 435.525 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nnc(C)s2)CC1 1286485765 XPVRGIDKGCKGQF-WMZOPIPTSA-N 431.566 1.160 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)CC)CC1 1286489354 PLYFPNJPDODYRH-WJOKGBTCSA-N 438.557 1.551 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NC)c2)CC1 1286637306 BEJWDUXWKVLHKK-HNNXBMFYSA-N 432.550 1.453 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)C[C@@H](C)O1 1290836933 IAASDBHCTJGNQC-QWFCFKBJSA-N 434.562 1.257 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1291189378 ABZQSZFHSQHJMI-WBVHZDCISA-N 442.545 1.308 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1296144566 AQUOEPMHJJSUEW-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE N#CCCn1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1298084127 ZHBDIFLLYHAXDZ-QGZVFWFLSA-N 426.477 1.949 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300361883 JIYGAUJJWLHGGZ-GOSISDBHSA-N 443.552 1.827 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1300380876 JSDDZJJPCZYKRM-ZWKOTPCHSA-N 433.582 1.957 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300505538 CJZHCAVOHPHOME-UHFFFAOYSA-N 449.515 1.865 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1300535880 PUXDZEZXUSSLRL-LJQANCHMSA-N 446.559 1.440 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1300555358 XUNLNFXXXCIIJU-UHFFFAOYSA-N 433.394 1.067 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1300621607 RSYKBJPBDWWWOE-UHFFFAOYSA-N 433.563 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1300715587 ALCPSZNXUGZXIQ-QFIPXVFZSA-N 436.560 1.453 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(N(C)C)CCC2)CC1 1300721993 FGTSUVNVJKEQFZ-IBGZPJMESA-N 428.581 1.970 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300778089 LQONBCCOQHLPSY-GOSISDBHSA-N 432.594 1.240 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1301016853 CHKDTYZPWVQYJM-AWEZNQCLSA-N 440.961 1.066 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301018898 BIILUYAVJZFFOS-UHFFFAOYSA-N 444.923 1.633 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1301058871 JQJFIOWOFUDKRY-MRXNPFEDSA-N 438.598 1.634 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C)C1 1301481224 JQLVXXZVIUOCJD-AWEZNQCLSA-N 447.565 1.074 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301482586 XKBHFFGQOAJTAJ-QZTJIDSGSA-N 431.562 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1301576245 TUBPZJLLRRKPQZ-UHFFFAOYSA-N 438.517 1.338 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1301817089 BAHYBOFBKBDKCZ-NRFANRHFSA-N 437.548 1.644 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1301851954 APOWWEMABVKVLS-XXBNENTESA-N 438.532 1.975 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCS(=O)(=O)C1 1302685380 BSBLKGZLZJTXCW-JKSUJKDBSA-N 444.565 1.213 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1303627225 GRAMKBPBKSEUPW-NSHDSACASA-N 444.359 1.334 30 10 IDEE C#CCN(C)CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1312788690 LIDYDCPSGUZUJL-KURKYZTESA-N 449.552 1.166 30 10 IDEE C#C[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCOCC1 1313042886 JVGBGAFJMDPPJE-SJORKVTESA-N 443.566 1.138 30 10 IDEE NC(=O)C[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316549666 JLDFSTIKHMTLLX-ITZAQCPESA-N 427.509 1.164 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 1354429293 QAXFMMHEHTYBAH-AWEZNQCLSA-N 446.261 1.601 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1358910916 FCCMQDKEMNALIQ-UHFFFAOYSA-N 448.549 1.281 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1358939662 BKJIJSDJGSJQRY-NRFANRHFSA-N 432.546 1.646 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358966763 WKIZWDMTMFBELT-HXUWFJFHSA-N 427.574 1.994 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1358993933 ADAZAHWXPWGZAI-LBPRGKRZSA-N 435.294 1.631 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1358994312 JTJLPSRRXXTUDA-GOSISDBHSA-N 442.541 1.709 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCC 1359023208 CYHDQVORFWFRAA-KRWDZBQOSA-N 428.537 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(OC)CCC2)CC1 1359040517 YCADBSRIQYXPGP-UHFFFAOYSA-N 430.553 1.341 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccncc2Cl)CC1 1359044699 MFJQRCJHZGFLGG-KRWDZBQOSA-N 428.924 1.845 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 1359099235 LJNADYHHBLWDKC-NCOADZHNSA-N 438.550 1.161 30 10 IDEE C=C(Cl)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359157757 SWHLZRHVYBZDLY-LPHOPBHVSA-N 427.933 1.413 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1359165769 WHWULNCCBUJHSU-LJQANCHMSA-N 438.532 1.592 30 10 IDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@]1(N2CCOCC2)CCSC1 1359273433 AGAIROIVLIOCHD-JOCHJYFZSA-N 446.621 1.787 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1359293449 QFLORKAKLFECMC-LJQANCHMSA-N 439.564 1.974 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1359296852 WRGYGTKRFOPBJW-UHFFFAOYSA-N 439.564 1.238 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359333053 MZYOIDDAUKURDU-MRXNPFEDSA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359335009 XGQSVDDDZPQCCP-RTBURBONSA-N 437.610 1.378 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1360206620 BVVDRWRLTCADRF-NRFANRHFSA-N 425.468 1.192 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2cc(CNC(=O)OC(C)(C)C)ccn2)C1=O 1439230711 ZTDPJDRMKWFAAL-UHFFFAOYSA-N 431.449 1.046 30 10 IDEE C#CCCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1464609610 AWEVYOKVGSRVED-CTNGQTDRSA-N 433.574 1.101 30 10 IDEE NC(=O)C1=NO[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1470135693 JQWNZTOZCQCMNH-LYFYHCNISA-N 438.275 1.429 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)c1 1472208827 VOOYGJLKFLXSRP-IBGZPJMESA-N 428.466 1.347 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1496308120 LRGUDQGPNBGVJM-GOSISDBHSA-N 439.564 1.890 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccnc1OCCOC 1499007954 IYLNNVUHAJOTIE-UHFFFAOYSA-N 435.488 1.844 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1507626495 APBASSNDHFWGKY-SFHVURJKSA-N 442.589 1.841 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507636121 ZDRPZTXHJUGBFD-WOJBJXKFSA-N 442.589 1.232 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](COC)OC 1507664820 GMWCSDSRUVPGBO-QGZVFWFLSA-N 444.561 1.363 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@H]1C 1507707787 DBKVGUIMWFMZMP-AOMKIAJQSA-N 428.489 1.342 30 10 IDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1507836637 TWOFBCFKZAMQSM-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1507990301 FEAUGGXIYXUSMH-UHFFFAOYSA-N 432.550 1.528 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(Cn2cncn2)CC1 1508087571 UESUHZTUQJNCCI-UHFFFAOYSA-N 438.511 1.818 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508137542 NKXCZPOUXSRAND-HKUYNNGSSA-N 448.593 1.041 30 10 IDEE C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)N1CCCCC1 1509980803 CGLKONYYUQTQAA-KURKYZTESA-N 436.582 1.173 30 10 IDEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1=O 1515890110 RYRBJYUAMSFBAK-QGZVFWFLSA-N 430.484 1.772 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1517450965 HEDSYLGSLAQPNF-KRWDZBQOSA-N 425.537 1.357 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1519375226 PHOWPCIPGDFPQN-UGKGYDQZSA-N 426.521 1.125 30 10 IDEE CN1C(=O)CO[C@H](C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1c1cccnc1 1536888118 UHXWGKCMFOPWBF-YADHBBJMSA-N 430.468 1.568 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)NC(C)C)c1 1539039818 ISQCQOICTYZOED-UHFFFAOYSA-N 433.516 1.864 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1539343052 CLCIBOOENFKPAV-CQSZACIVSA-N 431.522 1.103 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](COC)OC)CC1 1539441080 KFZKGFGZHNMQAE-GOSISDBHSA-N 427.505 1.133 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539441398 NTTHWIHZNPEOPI-RBUKOAKNSA-N 441.532 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCOC[C@H]2OC)CC1 1539475785 NZWSOPQZJFFFGL-UYAOXDASSA-N 438.532 1.357 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539511238 VLHDAMQCBNFPKR-KRWDZBQOSA-N 439.545 1.488 30 10 IDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(S(=O)(=O)NC)c1 1539675677 AFBXGXHNSQNVRL-UHFFFAOYSA-N 446.577 1.759 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539759463 IDXWNYPOZICOMJ-IHPCNDPISA-N 446.552 1.906 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOCC)CC1 1539890899 VJZVGCYPILQUKY-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnnn1CC1CC1 1540043507 ARTZYTJQMKBUIW-UHFFFAOYSA-N 441.927 1.929 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540873411 WYMSLILIICLGMX-UHFFFAOYSA-N 428.562 1.728 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1540879567 HYWIKXYXOCWILA-UHFFFAOYSA-N 442.545 1.968 30 10 IDEE CS(=O)(=O)Nc1ccccc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1541026518 MCXIVIICBIUBBJ-UHFFFAOYSA-N 425.463 1.424 30 10 IDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1544065892 AJZUEKJGEIURPX-TVFCKZIOSA-N 436.582 1.029 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@H](C)O1 1544754027 BMBOIJHSLVXYNC-HOTGVXAUSA-N 430.534 1.466 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1544911868 PNDFWHVPWAWOFR-QZTJIDSGSA-N 435.569 1.904 30 10 IDEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1554280104 FMOBFDCYAOOAJY-QGZVFWFLSA-N 431.438 1.727 30 10 IDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1561798419 HWANSXUMXBCKIC-KRWDZBQOSA-N 428.576 1.958 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)[C@H](C)CCC 1587599192 KZXGCUAVLNKJGB-IAGOWNOFSA-N 435.536 1.931 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1587765662 IYBNBMNSTSYDQL-UTKZUKDTSA-N 446.577 1.469 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1588045965 UTPJFQOWVDAHHS-QGZVFWFLSA-N 440.529 1.760 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 1588198979 DBQDPIMZZAUSEU-UHFFFAOYSA-N 442.379 1.774 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)c1ccccc1 1588432695 HKODHTXYKXKTKB-UHFFFAOYSA-N 429.546 1.724 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2(O)CCC2)n1 1588722802 FPBXTTMJDGIVLE-GOSISDBHSA-N 428.537 1.570 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccccc1 1589197351 AMQSVMFBHILVEO-OAQYLSRUSA-N 437.529 1.706 30 10 IDEE C=CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC)c1ccccc1 1594543943 FQXKWLDRNZONHS-MSOLQXFVSA-N 435.550 1.969 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 1595490041 LHYANMPPYSQJEN-UHFFFAOYSA-N 432.912 1.196 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1595523508 WVYRAGPKTCUDHK-MRXNPFEDSA-N 438.492 1.727 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1595537003 KYMWMRUTVCXTKB-UHFFFAOYSA-N 429.613 1.843 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCOC1 1595551452 QUMMOEUXQVMPBW-VQIMIIECSA-N 427.505 1.956 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(I)ccc1N1CCOCC1 1595818866 ZIDDIMQUKSVQIH-AWEZNQCLSA-N 428.270 1.896 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595896105 UYLYXBLNBQLCCT-INIZCTEOSA-N 441.623 1.723 30 10 IDEE Cc1ccc(CNC(=O)c2cccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)c2)cc1 1596159305 BDUDLYHNFRIUNU-UHFFFAOYSA-N 445.479 1.766 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)OCCCO2 1596781275 AGEICDAVHMRTLX-GJZGRUSLSA-N 448.549 1.694 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1596978302 MGBNYSWAXIYNFO-YEWWUXTCSA-N 449.558 1.146 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597349797 ACEUDLHMVFFZMV-OEAGWNGGSA-N 444.536 1.389 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)O1 1611085239 HQDKQSNVTUFFGY-BSDSXHPESA-N 425.526 1.995 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1611302186 DXKHNVLLQNDCSN-AWEZNQCLSA-N 429.506 1.888 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1611534031 RIAXGXAFVJXYCP-NRFANRHFSA-N 427.457 1.327 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1612966340 IUMVNPXLRHZNDK-MODMUFLJSA-N 437.504 1.406 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(CCOC)CC2)n1Cc1ccc(C#N)o1 1613592898 VRHXUBXSZPGXKT-UHFFFAOYSA-N 429.525 1.478 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1618456441 TWZZVKIRPQMERJ-SJORKVTESA-N 436.289 1.956 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncccc1N(C)C 1620110902 FJYPRSBXDUXEAF-FCEWJHQRSA-N 427.509 1.240 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)c1 1623284650 RYYPVTMEOZYPQY-UHFFFAOYSA-N 441.509 1.671 30 10 IDEE C#CCN(C(=O)/C=C\c1cc(Br)c(O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1626434194 FYOJQEZMKKMQDM-ZFDPJTLLSA-N 428.304 1.825 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1629869701 CLLTZIHBXKPRNO-MSOLQXFVSA-N 435.546 1.904 30 10 IDEE Nc1cc(I)ccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1632880460 QIJFDROJCIJRLQ-FYWRMAATSA-N 426.214 1.130 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 1635668373 GAGAERGICAMBSY-CVEARBPZSA-N 425.510 1.694 30 10 IDEE CS(C)(=O)=NCC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1638871005 NTLDCXDXBUIWGB-UHFFFAOYSA-N 440.591 1.472 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 1645159284 SBFLFHGYDPKHJS-FQEVSTJZSA-N 427.526 1.095 30 10 IDEE Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1652521912 ZLOOYCJSBBTHDB-FIKGOQFSSA-N 433.530 1.958 30 10 IDEE COC(=O)CC1(NCCC(=O)Nc2sc3c(c2C#N)CCC3)CCS(=O)(=O)CC1 1653348795 INALTWODUHXUKO-UHFFFAOYSA-N 439.559 1.537 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)CC1 1661621131 FPBUDOQDUXALJR-MRXNPFEDSA-N 431.489 1.377 30 10 IDEE C[C@@H]([C@@H](C)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)N1CCOCC1 1678488202 CUHACWSZZARDEF-MSOLQXFVSA-N 437.548 1.889 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1685632892 ZQDZCBPITGJYPP-UHFFFAOYSA-N 432.521 1.765 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1689918023 OBDIJTHUXLZILL-UHFFFAOYSA-N 431.500 1.157 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689989245 CJQGDVUZDVWFPO-FYCBBRDGSA-N 440.591 1.058 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689991283 ZDVFDGAXEYFTOC-WOJBJXKFSA-N 449.621 1.531 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1690115094 RRLDNBHPQAPQDR-HRAATJIYSA-N 426.477 1.148 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1690227111 WBRFISQZVINTAO-UHFFFAOYSA-N 439.314 1.875 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1690420385 MGCRVCGKCPCXSY-OAHLLOKOSA-N 438.598 1.597 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690508190 CWZCUMQRQSSEPL-KGLIPLIRSA-N 438.472 1.540 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677011 KTFJNIXURFZAHL-VGOFRKELSA-N 448.568 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690731338 IPDZCCVLEUWIPL-LSDHHAIUSA-N 427.527 1.007 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705522618 JSLMGCYGQAMITM-UHFFFAOYSA-N 428.566 1.668 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705582334 YZRHXUAOWJUVJS-JOCHJYFZSA-N 447.587 1.830 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OCCOC)CCOCC2)CC1 1705780228 JXUGFQUSCIQXRY-GOSISDBHSA-N 433.553 1.844 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705804198 SOXISVFAGXXMMX-IBGZPJMESA-N 426.569 1.778 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705906873 RHOLCZCEBJOEIN-MRXNPFEDSA-N 433.534 1.091 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C2CCOCC2)CC1 1705930133 GGFNJBFWRSTDFQ-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1706219256 QZGAFIIIOUXLMK-SFHVURJKSA-N 433.520 1.735 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1706936774 ALCLYENGIKCREL-IAGOWNOFSA-N 436.582 1.584 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC(C)(C#N)CC2)CC1 1710293445 HWZNZMLWMMARHG-UHFFFAOYSA-N 444.628 1.964 30 10 IDEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1711012745 GFPWDHYSROBAPH-JOCHJYFZSA-N 448.575 1.819 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)nc2)C[C@H]1O 1711459842 JSVLXUXKQUCVHH-WOJBJXKFSA-N 432.484 1.929 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1712166878 ASNLWRRBRMVSGB-ICSRJNTNSA-N 428.512 1.960 30 10 IDEE COCCOCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1712608936 ZJWNCDCIBQAXEL-GOSISDBHSA-N 443.504 1.888 30 10 IDEE COCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1712617230 XTYWFZKLRZUCKU-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712885100 YVQFWKUGDPBCEH-QZTJIDSGSA-N 447.490 1.349 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)(F)F 1722280672 GJFYXCFFKZXQGC-GFCCVEGCSA-N 433.398 1.057 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1722296444 QATZXJPASOSGJV-CRAIPNDOSA-N 435.525 1.565 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1722365140 KNPXUVZYPCGYAV-KRWDZBQOSA-N 426.502 1.235 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN(CC)CCC(F)(F)F)CC1 1722438566 ZHGLFCHHKFEZQP-QGZVFWFLSA-N 428.503 1.812 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1722493574 IUNQDSCHTVCCDM-RBUKOAKNSA-N 448.612 1.945 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@H]2C1 1722555540 LQTVVTNEXAKQCN-JKSUJKDBSA-N 444.989 1.038 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1722689946 BYRFBLPKRBQHJS-JKSUJKDBSA-N 425.493 1.233 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722725405 LAMWNXMIYPJWNN-ZWKOTPCHSA-N 447.536 1.932 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1730302342 WUDGVTINJPNFKD-RTBURBONSA-N 427.505 1.802 30 10 IDEE COCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730428672 KIZKFMDABBGMCL-UHFFFAOYSA-N 439.520 1.722 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CCO1 1730591683 DYCIMQODDGJVLK-SFHVURJKSA-N 426.477 1.511 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1730869039 LMDOISBQIMAQLL-BHIYHBOVSA-N 432.569 1.994 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)C1 1731181451 HNJNHLYQRWQSQD-FRQCXROJSA-N 425.530 1.971 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1740548459 IFFNKDQPEAFRII-IAGOWNOFSA-N 449.552 1.586 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CC)C2)c1 1740562095 GKBUNCWODNAPRT-ICSRJNTNSA-N 449.559 1.627 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1740602450 MTVGCMFFPNETTD-UHFFFAOYSA-N 448.545 1.865 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740616143 UFQZYSVZLSFKIW-ZBFHGGJFSA-N 441.623 1.575 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740623948 AIPBMISBXOAYDA-GJZGRUSLSA-N 438.500 1.809 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(=O)NC2CCCCC2)CC1 1740702677 VMPVPNDCSDHMPN-UHFFFAOYSA-N 428.581 1.990 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1740705816 MUYVWWDVBJZBLS-UHFFFAOYSA-N 441.557 1.573 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740760929 STXAWOCHWOBJQZ-GGPKGHCWSA-N 431.562 1.868 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740950742 GAIIDPKYESGSFY-FHWLQOOXSA-N 432.569 1.321 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1740951429 YRVJNXOHBVTMEO-QGZVFWFLSA-N 428.541 1.373 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740959468 WKLAOQBDHYGNEX-CQSZACIVSA-N 428.518 1.352 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCSC2)C1 1740990926 JUWPKESHTNVPKF-KBXCAEBGSA-N 425.580 1.163 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1748640308 SLWHFKCEVVIKRR-OKZBNKHCSA-N 444.605 1.793 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCOCC1 1748853107 UCFTYVFFAZBDTR-FQEVSTJZSA-N 431.544 1.558 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1748949661 HEIGELTWQMEVPH-MRXNPFEDSA-N 442.545 1.571 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCS(C)(=O)=O)CC1 1748977178 DGIPROWFXYUJMU-INIZCTEOSA-N 435.525 1.357 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCCC2=O)CC1 1748993004 MQWYBYYKCZDINA-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C=C(Cl)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749277291 AGCHRSICOJUUAS-INIZCTEOSA-N 444.923 1.373 30 10 IDEE COCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749611184 FUTGTFNIDTWOMA-RXVVDRJESA-N 445.593 1.598 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749670337 PYPXUUBQLXBVEG-ZWKOTPCHSA-N 429.525 1.616 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)C1 1749696938 FQPOXEVHNOBFAA-KXBFYZLASA-N 447.561 1.748 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)N(C)C 1750022585 DNNXQQGZQGOKAK-UHOSZYNNSA-N 426.521 1.834 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1750060045 CYPMMQZXLBTLCT-YWZLYKJASA-N 430.513 1.068 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1750518725 GHBQHVSYMDLLHV-MYGHRHJXSA-N 441.561 1.578 30 10 IDEE Cc1noc(C)c1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1751955576 CXFGGJSPYDRNTR-AWEZNQCLSA-N 430.490 1.934 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1n[nH]c(C)n1 1760165058 IDZYTEOLCNVLEU-UHFFFAOYSA-N 427.538 1.285 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760185929 HBOWYFPERQMLSC-KNQAVFIVSA-N 430.574 1.965 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)OC)CC1 1760259332 ADCPXIBAWWZMER-QGZVFWFLSA-N 435.532 1.465 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)C(=O)NCC)CC1 1760262624 TYEPPMDQWBUWNP-UHFFFAOYSA-N 438.576 1.795 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1760265976 NGXYPLUXAMWJPI-UHFFFAOYSA-N 429.613 1.393 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCNC(C)=O)CC1 1760267704 WVBYKLQQCGJVPH-UHFFFAOYSA-N 436.560 2.000 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1760505173 NFYCDLVCABEYQM-IKGGRYGDSA-N 445.561 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760552343 KRAFIBQNVIEDQE-UZLBHIALSA-N 435.550 1.648 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760565662 CATLNZJBQORMNS-RDTXWAMCSA-N 427.596 1.062 30 10 IDEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1760769805 FIOICEPUVSPTSX-UHFFFAOYSA-N 446.577 1.694 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)[C@H](C)C1=O 1761120886 FCOMAIQYPGNCJJ-QGZVFWFLSA-N 433.520 1.802 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCC(C)(C)C1 1761482288 HKHDQKVWFWHFOK-HNAYVOBHSA-N 441.577 1.452 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1763955377 CBRDBQYTXSLRNY-QFBILLFUSA-N 441.536 1.679 30 10 IDEE CCCN1CCC(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)CC1 1764430510 XSPSYLDXHHAIER-DENIHFKCSA-N 432.569 1.781 30 10 IDEE CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1764570813 CPUUUWGQCVZXKL-LJQANCHMSA-N 432.488 1.711 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1766171513 CUZRQEAXWBSHPN-MEUCICPISA-N 425.493 1.805 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1770335826 KLRUIPLKWGLGBU-GFCCVEGCSA-N 440.323 1.481 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1772842611 YZSWXGDJSWLRBA-HOTGVXAUSA-N 429.525 1.448 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2n[nH]cc2Br)cc1 1852509965 HDHWLQORONYMHN-HNNXBMFYSA-N 435.278 1.980 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N=c2ccnc(N3CCN(C)CC3)[nH]2)c2ccccc21 1852966986 FYJMUEVUFFSWHJ-UHFFFAOYSA-N 435.532 1.676 30 10 IDEE COc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)cc1C 1857502281 WOJZQUNZPQKGKU-UHFFFAOYSA-N 427.482 1.857 30 10 IDEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCNC=O)C2=O)c(OC)c1 1863417646 ODADWGKBXJFNKU-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCC(CO)CC1 1870535284 NKCKHCPKJVBMCV-UHFFFAOYSA-N 434.581 1.075 30 10 IDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575637 KXLGLJXLVZFXGN-UHFFFAOYSA-N 437.888 1.718 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248432623 YOIWUFADAIDRTD-NWDGAFQWSA-N 439.343 1.921 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2248439864 CSGHYHFSGIZZGC-IBGZPJMESA-N 444.359 1.372 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542403 QYYMABXRJJUAOL-KBPBESRZSA-N 434.346 1.895 30 10 IDEE CON(CCCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255605185 KGWYPLQTCIUBLJ-UHFFFAOYSA-N 439.322 1.033 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255809184 TWOBXQGXISYZJC-NSHDSACASA-N 447.288 1.973 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255817870 CELCKWILDLIJBT-DZGCQCFKSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255878650 BXSRWEHTLSEALV-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267113696 XQZMYBVCIZSIRO-NHAGDIPZSA-N 447.345 1.052 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@@H]21 2267182483 HAOIJDJSSYDDOZ-HOTGVXAUSA-N 446.357 1.943 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267286033 LOXHWGLISDILRP-FQEVSTJZSA-N 438.381 1.860 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267506169 TXLGBOLJRQDRNK-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@H](O)COCc1ccccc1 2267538897 OTRRIUGBALCUIJ-SFHVURJKSA-N 443.353 1.852 30 10 IDEE Cc1nc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](O)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268706090 LUXAUBFETJKQLT-IPVJXJPOSA-N 448.329 1.441 30 10 IDEE COCCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(c2ccccn2)CC1 14159785 KMPVGMONVZRWJS-UHFFFAOYSA-N 428.566 1.599 30 10 IDEE CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cn1C 35376214 TVIAKZASRWDSMU-QGZVFWFLSA-N 430.486 1.865 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 110021031 FDAJXTSYUNVCBC-ROUUACIJSA-N 437.566 1.385 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cccnc1)n2C[C@H](O)COc1ccccc1 254510171 YAZPCXBIHDOQPO-HNNXBMFYSA-N 435.444 1.117 30 10 IDEE C[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 438535938 SVJHQMYJKYGVBV-MRXNPFEDSA-N 427.530 1.656 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOc2ccc(Cl)cn2)CC1 472270948 ALPLVMCXTPCKTF-UHFFFAOYSA-N 449.920 1.702 30 10 IDEE Cc1c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 479293285 XCKHIWBNCFJDRC-UHFFFAOYSA-N 446.511 1.229 30 10 IDEE CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@@]2(CCOC2)O1 483182973 UVDDFOIGIKHVMC-NZQKXSOJSA-N 430.524 1.804 30 10 IDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C1 505748053 RHVMNMOENQDNFF-PMAPCBKXSA-N 434.581 1.897 30 10 IDEE C=CC[C@H](CO)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 537120537 UAGIFCPOPSYFAV-LBPRGKRZSA-N 433.324 1.103 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)C1=O 565442360 CNFLMCHWMVDFAU-YOEHRIQHSA-N 438.406 1.332 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 572388223 RMJICKVQJBZIHT-JKSUJKDBSA-N 429.612 1.909 30 10 IDEE CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 576890078 VEGGHNNNLWPNSO-UHFFFAOYSA-N 426.506 1.081 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 582329340 MHLINFAUFXOHTK-ZACQAIPSSA-N 427.571 1.438 30 10 IDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 585088925 LRAUCQHSWHDFBB-IBGZPJMESA-N 435.482 1.072 30 10 IDEE C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2cccc(C#N)c2)C1)N1C(=O)c2ccccc2C1=O 586053244 IECYPBGUGBELJG-CRAIPNDOSA-N 430.464 1.964 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 603801196 ZNZDEMYDTVQRPQ-CQSZACIVSA-N 447.507 1.786 30 10 IDEE CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1=O 619843481 GONFGNLOLIURHG-HXUWFJFHSA-N 433.464 1.549 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 704567469 MUVXQNFGXYVFMF-NHYWBVRUSA-N 441.344 1.963 30 10 IDEE N#C[C@@H]1CN(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCN1C1CC1 732701194 LACNZCLFHKDBIK-LJQANCHMSA-N 430.940 1.370 30 10 IDEE C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 742607404 PGVXWLLWISACMF-YBEGLDIGSA-N 435.546 1.182 30 10 IDEE N#Cc1csc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 752586279 HEQINCVVNVSIQS-IZZDOVSWSA-N 445.522 1.921 30 10 IDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(Cl)s1 760620039 JRHNYJYTRDHEMK-UHFFFAOYSA-N 446.963 1.583 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(C(=O)O)CCOCC1 762193782 NEAXTBRBVWBKGM-UHFFFAOYSA-N 437.518 1.283 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccnn2)C1=O 766406370 QAUHGMKTIDNALS-QGZVFWFLSA-N 430.509 1.815 30 10 IDEE CC(=O)N1CCN(C(=O)[C@@H](C)ON=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 769842311 NDVXQLSZWNAMTJ-OAHLLOKOSA-N 447.536 1.427 30 10 IDEE CCS(=O)(=O)N1CCC(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)CC1 770858361 NNWLKIVZWWBWIO-UHFFFAOYSA-N 448.585 1.865 30 10 IDEE N#CC1(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCN(Cc2ccccc2)CC1 778447357 QBAFXYRZEXYGRG-UHFFFAOYSA-N 438.509 1.506 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CCS(=O)(=O)C1 780910254 ZZJVIWLBAKUJQD-SJORKVTESA-N 431.493 1.231 30 10 IDEE CC(=O)N1CCN(c2cccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2)CC1 782081280 HVOUSJWDZNOXSA-FMQUCBEESA-N 426.477 1.003 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1nnn(C)n1 782815630 LTVMNCKVZGZFSY-CQSZACIVSA-N 437.489 1.469 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3CCc4ccccc4C3)CC2)o1 786815691 HSNKEUTUYGEDDG-UHFFFAOYSA-N 437.500 1.495 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796608874 SLJHNGFCDKSLRJ-MJGOQNOKSA-N 443.529 1.626 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 805785896 KUJWQACCNCIGHQ-AEFFLSMTSA-N 442.541 1.856 30 10 IDEE Cn1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)c(I)n1 1130928655 GSKROTINHVVYOK-UHFFFAOYSA-N 427.271 1.920 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 1136575177 NCNXTZGAMMFYCT-QGZVFWFLSA-N 426.564 1.409 30 10 IDEE CN1C[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1136603884 NURALZASXZRASI-LJQANCHMSA-N 441.532 1.675 30 10 IDEE Cn1cc(N2CC[C@H](NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)cn1 1147410515 LKNLRJOOAHSSAY-INIZCTEOSA-N 429.322 1.886 30 10 IDEE CN(C)C1CCN(C(=O)CC2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 1147645823 SFYMWSLNSPNAHN-FCQUAONHSA-N 445.564 1.084 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC2CCOCC2)C(=O)OC)ccc1F 1153509786 KVDUQYGKOYXGDU-MRXNPFEDSA-N 428.482 1.378 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)C2=O)cc1 1154116249 CCQAIOSWGHQBJB-QZTJIDSGSA-N 439.493 1.795 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1154959392 RYYMNXSRJNZXRQ-OAQYLSRUSA-N 429.586 1.790 30 10 IDEE O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)o1 1161668626 LVQSIWBAVXIMPI-UHFFFAOYSA-N 442.309 1.863 30 10 IDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1163652644 WACKKQZROPEBCS-RTWAWAEBSA-N 430.516 1.884 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)nn1 1175844282 BHRODENUBIRCCV-KRWDZBQOSA-N 435.488 1.940 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1279984974 LXOCUJAYKMTPRK-UHFFFAOYSA-N 427.505 1.989 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(N)=O)c2)CC1 1286494775 PPSLEVKABMMOEI-LJQANCHMSA-N 436.516 1.243 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F 1286516316 FWGVKGJCYHOOHF-YVEFUNNKSA-N 427.481 1.520 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286825429 RABMWZJEGCXKCW-FUHWJXTLSA-N 434.566 1.533 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCN1CCC[C@@H]1CO 1288126106 NEKBIUPAWXQBSD-XMSQKQJNSA-N 431.585 1.783 30 10 IDEE CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCS(=O)(=O)C1 1290644755 WHPAXBGLROOJQJ-HNNXBMFYSA-N 426.336 1.793 30 10 IDEE CCCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1294403170 FUVGUOMELGAEET-KRWDZBQOSA-N 425.493 1.581 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1295083436 FUDZDYRYICXMTO-QGZVFWFLSA-N 439.520 1.169 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H]1C 1296009886 IVMPAPMGLZBVGF-ZIFCJYIRSA-N 437.548 1.926 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O 1300656892 PNRNCZPERLEMNY-UHFFFAOYSA-N 433.578 1.878 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC)CC1 1300751153 HNICFGZSEGUJRZ-UHFFFAOYSA-N 428.518 1.502 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1300762036 GKXOPBIPRVUXGC-INIZCTEOSA-N 427.596 1.214 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1300873245 IMNKMKGTMRJHOO-RDJZCZTQSA-N 439.582 1.411 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1300879180 BLDWUNOVTYORFM-QAPCUYQASA-N 434.566 1.673 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301505926 CKYXSCYVRCUZER-INIZCTEOSA-N 442.520 1.457 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301514659 LDMJETPOYNUWPT-OAQYLSRUSA-N 430.484 1.261 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)C1 1301558532 WTDFHPDYVILPEY-JKSUJKDBSA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCCCC2)C1 1301567519 IBZCEWIIMRYOGL-UHFFFAOYSA-N 439.582 1.557 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1301809086 KIBBPSKRLBUBRW-HOTGVXAUSA-N 425.555 1.362 30 10 IDEE COCCN1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301915046 RTOZRGZZEFQWHQ-XUTLUUPISA-N 443.552 1.231 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1301968638 NWVJMENCFNCGTM-HOTGVXAUSA-N 429.525 1.633 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)CCO1 1303001656 GGQMRWYTONRTGR-HNNXBMFYSA-N 436.925 1.547 30 10 IDEE CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1309037848 CAFOIKUXZVLXKJ-UHFFFAOYSA-N 443.547 1.034 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC[C@](C)(C#N)C2)C1 1313273965 AJNBIADEOJYMRK-HNAYVOBHSA-N 428.555 1.746 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1316297219 IBWWNKJDEXVSHF-OBKDMQGPSA-N 432.569 1.851 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358964451 ZFSSDYXPQWDOEG-HOTGVXAUSA-N 439.582 1.628 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@H]1C 1358975789 DZDLCKIMTSOVGA-VGOFRKELSA-N 440.573 1.862 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(C)=O)C1 1359062889 XDUCSDFUHQYWCI-QYZOEREBSA-N 435.594 1.721 30 10 IDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359218222 ATJPNLUTCQSPNW-UHFFFAOYSA-N 443.577 1.955 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1359241548 UPYQUUYKEIHTQW-INIZCTEOSA-N 437.541 1.750 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)ccc2c1=O 1449793794 KNRMCBHONQCTKY-ZDUSSCGKSA-N 434.518 1.487 30 10 IDEE C=CCONC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O 1468106753 AOYFDTMAYWUXQX-UHFFFAOYSA-N 445.479 1.690 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1ccc(OC)c(C#N)c1)CCS2(=O)=O 1471190956 ICBGQHIYVPFBHQ-NGEICVOHSA-N 435.502 1.265 30 10 IDEE C[C@](Cn1cccn1)(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(N)=O 1472313350 KMVSFQCSOYYJLT-GOSISDBHSA-N 431.294 1.014 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(Br)cc1 1478896070 JWBFBCIDGCOLPF-OAHLLOKOSA-N 429.340 1.257 30 10 IDEE CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1499797140 ZNYSYQRBWATFAW-KJPDOMRESA-N 444.565 1.448 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507554362 QRMZTAOLPOHEOA-UHFFFAOYSA-N 426.500 1.573 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1507653385 NXDLQNYRLPQUPH-IBGZPJMESA-N 439.541 1.051 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1507844000 AERPHRCDULDQBF-FGTMMUONSA-N 439.582 1.583 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NC(C)C)CC1 1507877196 CJDLOKPVQJLDIS-UHFFFAOYSA-N 446.577 1.876 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507917293 ZYPRJVKZHWKABR-BZUAXINKSA-N 440.566 1.143 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1507965492 NGTIVNHPIYOTFV-UHFFFAOYSA-N 430.553 1.442 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507967342 JLRFHDVHDHJFDD-RTBURBONSA-N 432.569 1.957 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)C1 1508072865 HSXSLGUIDJTJQW-MRXNPFEDSA-N 442.520 1.397 30 10 IDEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1508152040 RAKLPTWFHSYWCI-INIZCTEOSA-N 446.964 1.665 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)O)c2ccccc2c1=O 1514992388 GZZFKILFALBXGR-HNNXBMFYSA-N 437.504 1.565 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1519062263 PVUUXXKHNSYTRF-PXNSSMCTSA-N 438.598 1.279 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1524527436 NQGXCVRXHGMSKC-CQSZACIVSA-N 426.315 1.367 30 10 IDEE N#CCNC(=O)CNC(=O)c1c(I)ccc(Br)c1F 1525610844 YWFRTDPNTFSLNT-UHFFFAOYSA-N 440.010 1.562 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1527645810 VWNOMYIKDUDRPR-HSZRJFAPSA-N 447.451 1.628 30 10 IDEE N#Cc1cccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)n1 1537100188 FJQIMGGUVXSHCL-OAHLLOKOSA-N 432.221 1.871 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1539013266 IIPDWOKNYXWJEQ-NWDGAFQWSA-N 426.436 1.555 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539089168 JEFKCTPWBQHEGT-UHFFFAOYSA-N 429.525 1.131 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539115885 IACRBIGRCXJASY-DLBZAZTESA-N 436.516 1.846 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539216706 WEFFWJUQXBBDRG-HKUYNNGSSA-N 428.562 1.309 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1539291866 YCWWBQLXOZMKSK-LJQANCHMSA-N 426.542 1.981 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539520873 VETBBGLMMWZZDE-QGZVFWFLSA-N 426.546 1.458 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539702033 XMVHASXFMMBFQJ-MRXNPFEDSA-N 425.493 1.347 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1539873700 BHLNHQDYPGAYHI-VBKZILBWSA-N 436.582 1.302 30 10 IDEE C=CCN(C)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1540062149 HKBKUGYPZITCPN-UHFFFAOYSA-N 437.591 1.955 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4ncccc4C#N)CC3)=NO2)C1 1540522933 NZHQCLLHZQLHFC-UHFFFAOYSA-N 426.477 1.368 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540902265 FLGASOHCFSQMEO-CVEARBPZSA-N 426.539 1.510 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3(O)CCOCC3)CC2)c1C#N 1543001865 FYEPWDSIXZTTTF-UHFFFAOYSA-N 442.568 1.258 30 10 IDEE CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1548321391 VOHOLFSVJFAWME-UHFFFAOYSA-N 429.550 1.259 30 10 IDEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1552831128 HVMONHRYRRKQDE-HNAYVOBHSA-N 433.513 1.131 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1554127855 NDLWHQIRZRFKEV-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE COc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)cc1OC 1554870288 BHEYUIGQWJVOEY-UHFFFAOYSA-N 443.485 1.710 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)CC1 1561296257 IDJKCCNKCPDEFG-UHFFFAOYSA-N 428.898 1.002 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1=O 1562945027 KPYDRULEVYMZBZ-CQSZACIVSA-N 438.326 1.931 30 10 IDEE CCS(=O)(=O)N1CCC(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1564535051 SKIWICYAUKQNCD-SFHVURJKSA-N 434.566 1.601 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCc4c3ccc(F)c4Br)C2)c(=O)nc1O 1564753189 ODFYDXOIXKDEAQ-AWEZNQCLSA-N 448.252 1.976 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1593747348 UXVSHUDWYAGOEX-MSOLQXFVSA-N 443.552 1.772 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1595276186 XWIITWHCJHIRLK-UHFFFAOYSA-N 445.545 1.395 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2Cc3ccccc3O2)C1 1595674886 VLAPENGGQGLTQO-NXHRZFHOSA-N 447.561 1.673 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1596806291 FNLJOVNQXTYDAZ-LSDHHAIUSA-N 446.533 1.551 30 10 IDEE CC(C)(C)c1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1597137082 LPGQOWATUFGRTC-WUKNDPDISA-N 437.495 1.489 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccc(CC#N)cc2)cc1 1611476305 UTKXGCYSFJYUDJ-UHFFFAOYSA-N 442.541 1.829 30 10 IDEE O=C(Nc1ccccc1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1614388590 IAXMDYNWVLZKBJ-AJVNXVRISA-N 427.482 1.857 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](OCCOC)C2)C1 1616566559 JAUOUZVLUVFXPM-UDTLNKQYSA-N 441.532 1.988 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1617594900 GWNLZCNBXBGQKS-UHFFFAOYSA-N 436.520 1.289 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1620357370 GAPYNGJYBOUZCK-IBGZPJMESA-N 435.575 1.610 30 10 IDEE COC(=O)[C@@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 1620532520 NHKFYCWCIPXNCJ-JOCHJYFZSA-N 428.464 1.712 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC3(CC2)C[C@H](O)CNC3=O)n(Cc2ccco2)c1C 1620636649 GHWLLNBBOWCRJP-KRWDZBQOSA-N 439.516 1.519 30 10 IDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1 1622237861 JLKGHGZXLZWLEZ-UHFFFAOYSA-N 432.445 1.987 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 1624727613 JNVXYOPBOVOGHE-FQEVSTJZSA-N 435.484 1.639 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCCCC(=O)C2=O)CC1 1628596329 AKZSRXQMZLYDRA-QGZVFWFLSA-N 447.333 1.740 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)s1 1632189662 JFVJWYNTFAZYNK-DJIMGWMZSA-N 427.592 1.465 30 10 IDEE COC(=O)CCN(CC(OC)OC)C(=O)COc1cccc(Br)c1C#N 1632681637 SFGVHZOSYAOQPA-UHFFFAOYSA-N 429.267 1.710 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1633261354 CSNFWJYHOOUREO-KRWDZBQOSA-N 442.541 1.515 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CCC2)S(=O)(=O)CC1 1639244828 FKJFVYWPRLUYFB-UHFFFAOYSA-N 439.559 1.075 30 10 IDEE C=CC1(CC(=O)NCCN2CCN(c3ncccn3)CC2)CN(C(=O)OC(C)(C)C)C1 1640969245 OSUUMYZQFAOOIP-UHFFFAOYSA-N 430.553 1.528 30 10 IDEE Cn1nccc1CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1648087883 XEBVLMUBNKAGTA-OTQYULQBSA-N 442.564 1.851 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1651236055 ZCVJFLHLSYHYKF-GDBMZVCRSA-N 436.534 1.456 30 10 IDEE CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCC[C@H]1C#N 1654477660 IJGTZXOHMTUVIC-WMLDXEAASA-N 440.953 1.923 30 10 IDEE CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1nnc2n1CCC[C@H]2C(F)(F)F 1655590277 YCSDMYUXTOWFSB-CYBMUJFWSA-N 428.440 1.890 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)c1 1659555578 PAUHDYXQJIEQTL-FQEVSTJZSA-N 441.509 1.793 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 1664970903 BXLBITCALOKAKZ-HXUWFJFHSA-N 429.542 1.648 30 10 IDEE CCOC(=O)[C@@]1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCOC1 1680778102 BLHFIRKEJZXNDH-XMSQKQJNSA-N 428.489 1.318 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1689924576 LVSMWORUWKWLAF-UHFFFAOYSA-N 433.520 1.972 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1690042197 XZQKKVZRHAZPOB-UHFFFAOYSA-N 446.602 1.125 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690248301 MLNIVXKKKIYTEU-TYYYZTEESA-N 441.532 1.605 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1690313651 ZSEATHMRXOKMRA-OHTSDLOESA-N 439.582 1.725 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690328893 PPNZVKRXHKRFIA-ACJLOTCBSA-N 443.932 1.878 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@H]1C 1690508677 MZSHDYSHZLOXOP-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1690545310 NZTLTXTUCHDNRH-CQSZACIVSA-N 428.580 1.302 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1690608041 YXYXYLYLGCYVTF-INIZCTEOSA-N 433.534 1.635 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1690627542 BMGAQDROAXVQTA-UHFFFAOYSA-N 426.930 1.033 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1690677135 OLROXXMYBJCXCF-OAHLLOKOSA-N 444.561 1.548 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCOCC2)C1 1690710834 XEWLVHHOKDRJEA-GOSISDBHSA-N 432.569 1.293 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(S(C)(=O)=O)CCCC1 1698230479 HIVDDZWGBXTKBR-IKGGRYGDSA-N 439.582 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCCOC 1705491166 ZFMAEYVUTQBHHK-HNNXBMFYSA-N 438.488 1.932 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1705550192 UCQDJJGDOLSJJE-UHFFFAOYSA-N 429.431 1.126 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705570754 UBBXPUJZHVLIDE-QGZVFWFLSA-N 433.578 1.164 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(C)CCO[C@H]2C2CC2)CC1 1705634608 DARPAARINSJVCH-GREBRCKQSA-N 431.581 1.963 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1705900563 IIBFHIWFELUBDH-UHFFFAOYSA-N 446.515 1.308 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCc1ccc(F)cc1)C1CC1 1705901427 LFQGJERFDSCNQJ-GOSISDBHSA-N 426.496 1.882 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705904853 AHGKWIWABRVFOQ-ZWKOTPCHSA-N 438.532 1.427 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1708758267 MNUVSMFNNADWCS-MRXNPFEDSA-N 449.556 1.840 30 10 IDEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1712386275 WHJNDKKTBDMXTD-GOSISDBHSA-N 447.561 1.618 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722364378 ZICFYZOYPMASJK-SIKLNZKXSA-N 441.557 1.850 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1722404579 ASYSDWLDWXUMDV-QGZVFWFLSA-N 431.562 1.529 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1722411379 FHMMNGODKCFAGC-UXHICEINSA-N 439.564 1.963 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN(C)c2ccccc2)CC1 1722437049 OZHFKTAYEIYWMC-NRFANRHFSA-N 435.576 1.901 30 10 IDEE C#CCSCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722463450 CLSYVDZDIYJESD-NRFANRHFSA-N 435.594 1.744 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722602490 CQIKBJMYROQRBU-UHFFFAOYSA-N 426.569 1.779 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722618710 VAAHFLQLEOKHFR-CRAIPNDOSA-N 428.580 1.161 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)CC1)C(C)C 1722663492 YTYFPGGDHNNAOY-IBGZPJMESA-N 443.596 1.539 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncc(CC)s1 1722680822 ASASAOCFIUKGLD-CQSZACIVSA-N 425.580 1.886 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722699222 DPWCZODJHWOYRG-SFHVURJKSA-N 449.552 1.714 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)NC)C1 1722714550 KTYFAQKVHZHZHA-MRXNPFEDSA-N 425.942 1.929 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cc[nH]n2)C1 1722720651 NSOUZHJZBORYAS-KRWDZBQOSA-N 439.524 1.074 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCOCCCO 1723628179 YKKRRYKEZFLYNJ-MOPGFXCFSA-N 426.521 1.559 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(=O)NC)C2)C1 1728934662 FFUOVBZCZCZDMJ-HGCBZUSOSA-N 438.532 1.709 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)F 1729409589 OJDAVGUUMSKOIT-MRXNPFEDSA-N 439.488 1.970 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1729566185 CCOPAMPVIWAATP-OLZOCXBDSA-N 434.298 1.053 30 10 IDEE CSCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1731117703 HXKUPMAXMPKDRJ-MRXNPFEDSA-N 427.534 1.907 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@@H](C)O1 1731156227 FESSCWLZAFXZAW-HDICACEKSA-N 435.536 1.654 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740566685 JEMNQGAVGLUMQH-IIBYNOLFSA-N 449.552 1.929 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740621585 NYCYARGCOXYPFR-IBGZPJMESA-N 442.589 1.843 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1740652211 VAEAOFCYJQPCDH-XTQSDGFTSA-N 439.479 1.806 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1740669071 LLZHCKCRPOIRNC-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCn2ccnc2C)CC1 1740707095 OMQAEBBFMDRLNX-UHFFFAOYSA-N 446.559 1.825 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)[C@@H](C)CCC)CC1 1740709104 AMXONRXYOJSWIU-PKOBYXMFSA-N 444.580 1.648 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1740744415 ARHJVQUDWGDYFP-HUUCEWRRSA-N 444.399 1.763 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1 1740762037 BHXCDFSTPSWTKM-UWJYYQICSA-N 430.553 1.440 30 10 IDEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1)c1ccccc1 1740853830 APQRVLPMUOEWET-RTBURBONSA-N 443.573 1.866 30 10 IDEE C=CCCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1740866439 DIRGEZLMXLTDTM-PXNSSMCTSA-N 441.598 1.757 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1740941211 FJQJZEVCDFLFTG-CVEARBPZSA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740961197 OJIGSUUCVAOSMQ-HSZRJFAPSA-N 442.539 1.611 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCOC[C@H]2C1 1740963752 WGTYWTSOBJEKPF-LJQANCHMSA-N 440.548 1.297 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N(C)C 1741849525 FPWZDAXODXGCFJ-SQNIBIBYSA-N 439.568 1.499 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCO[C@H]1C 1747405384 BMFNMYCQPRBIPN-MGPUTAFESA-N 433.534 1.228 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC(C)C)CC1 1748738444 CZCASVYSDAFBOR-UHFFFAOYSA-N 449.563 1.881 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1748790844 NNZGCCSDKMVWDZ-MRXNPFEDSA-N 430.534 1.391 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1748906970 LBHWBHHSEOEPLK-UHFFFAOYSA-N 436.560 1.854 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1748948031 FJCALTZLLHIJAU-QGZVFWFLSA-N 444.923 1.226 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749358511 BBUUSHBRKGGGHY-UHFFFAOYSA-N 435.536 1.883 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1749546932 GTCOOTQRZDLDNI-INIZCTEOSA-N 445.524 1.689 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1749591159 MNZQLUYVCWZCGU-IRXDYDNUSA-N 426.521 1.972 30 10 IDEE C=CCNC(=O)Cn1c(C)nnc1N(CCO)Cc1ccc(F)c(Br)c1 1749653055 VGUFXGUBSVTYSZ-UHFFFAOYSA-N 426.290 1.789 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCC(N)=O)CC1 1749731476 FETWSTRXEKWDGC-KRWDZBQOSA-N 439.582 1.602 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749731794 KNHHDPMYWKNRAX-UHFFFAOYSA-N 447.609 1.592 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1760117099 MIULSSUZDSRCCU-HOCLYGCPSA-N 445.536 1.894 30 10 IDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760156907 XHJGRXODBRDYCY-UYAOXDASSA-N 426.517 1.846 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760186674 PYNXPSRJWIRMKB-SJORKVTESA-N 432.546 1.943 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1Cc1cn(C2COC2)nn1 1760243332 GHXIHENFMRYREQ-UHFFFAOYSA-N 425.468 1.805 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)CC=C)CC1 1760256801 TWLZYLJWIZFKSY-UHFFFAOYSA-N 433.965 1.955 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)CC1 1760261055 GJLMTINUDONFHY-UXHICEINSA-N 448.637 1.200 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1760314040 SUHASDZZUJKOQZ-SJLPKXTDSA-N 445.568 1.392 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760353127 ICFKCOLKJMAELI-HNNXBMFYSA-N 444.923 1.338 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1760357164 GAZMVUZFOYPXJA-OAHLLOKOSA-N 449.524 1.439 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1760444873 TWMBROGBWSRBHH-WMZHIEFXSA-N 446.596 1.639 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760565174 POXJWUZJPIZRRC-JKSUJKDBSA-N 446.581 1.623 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccc4)n3CC(=O)NC(C)C)CC2)c1C#N 1762399864 GDTCIVNCDDIKIW-UHFFFAOYSA-N 447.547 1.710 30 10 IDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)OC 1764281488 DVYMTVVBJZAWMS-DLBZAZTESA-N 426.477 1.795 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1765651353 VODXDXRKCGIWKS-UHFFFAOYSA-N 440.552 1.246 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766561976 OEKGXVUCVLDNHQ-RTBURBONSA-N 429.569 1.955 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767235456 ZMYFNGLBVUPYAA-OOADYSHXSA-N 444.536 1.561 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1768937978 WOLDCQHEGPENHO-UHFFFAOYSA-N 441.536 1.460 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1769156094 BXKFGUHSRASPBS-QHCPKHFHSA-N 435.532 1.838 30 10 IDEE CNC(=O)CCn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@]1(OC(C)C)CCOC1 1769339321 JKOPRSNLZKZLTL-QFIPXVFZSA-N 426.521 1.963 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1770862649 BBUKSWMMYUIYJK-OAQYLSRUSA-N 443.529 1.149 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1772522948 FXKDUJFGMCMPKV-HSZRJFAPSA-N 439.516 1.813 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)CCO1 1851045669 KXKUPXPFXWIGES-GDBMZVCRSA-N 442.335 1.743 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)COCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1851707195 JBMPXDWGFJSMKN-UHFFFAOYSA-N 428.514 1.378 30 10 IDEE N#C[C@@H](c1ccccc1)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)n1 1852530236 JAVXMQFNRJHQAM-IBGZPJMESA-N 439.541 1.835 30 10 IDEE 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N#C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1597362549 YLFBHENZTZQVPN-JXFKEZNVSA-N 445.522 1.498 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1611766807 BTAGUUHNKOYKPB-XQLMRJDBSA-N 425.493 1.438 30 10 IDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1Cc1ccc(C#N)o1 1612606314 WRPPFGDVJDGPLT-UHFFFAOYSA-N 430.465 1.750 30 10 IDEE C#CC[C@H](CCOC)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1623654845 SJJFVUAWMYSDBD-OPAMFIHVSA-N 440.537 1.879 30 10 IDEE CCN(CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CCC(F)(F)F 1625056852 UPQHCNLMARZWCA-UHFFFAOYSA-N 434.484 1.896 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCCN(CC(F)(F)F)C3)C2=O)cc1 1625587449 OHYYWEVHEQVXPO-HOCLYGCPSA-N 437.422 1.906 30 10 IDEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1640408824 JEOGIVBABGZINI-PBYQXAPXSA-N 431.562 1.724 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)C2)nc1 1646095203 HIZHUMDTJBFLJP-HNNXBMFYSA-N 431.543 1.796 30 10 IDEE Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1647294949 DIQZADQLPYVMMX-RISCZKNCSA-N 446.451 1.326 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)NCCCN(CC)CC)CC2)c1 1656965616 XVGVNJCLHJJETD-UHFFFAOYSA-N 441.576 1.876 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1676793252 CBUULKDYJAVIPZ-IAGOWNOFSA-N 427.567 1.856 30 10 IDEE CN(CCN1CC2(CCOCC2)C1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682021290 CZFBCFSHEVUTIM-HXUWFJFHSA-N 425.533 1.413 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689998267 HJWDIUCOWULSFR-ZWKOTPCHSA-N 432.550 1.352 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1690076769 AKAUYRPDAXNRRL-HOTGVXAUSA-N 445.536 1.896 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCOC2)C1 1690299081 DHAXIFPKFNVZSL-OAQYLSRUSA-N 428.493 1.514 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690316422 DDMNNULZQGHZBE-WOJBJXKFSA-N 446.596 1.540 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1690527462 OPBBVSMMFMDENG-MRXNPFEDSA-N 449.552 1.826 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690744424 OVWASNZOUVXAIQ-IRXDYDNUSA-N 448.593 1.858 30 10 IDEE CNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1696955714 AKZLAKUMNXIMBG-JZJYNLBNSA-N 427.509 1.034 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCCS1(=O)=O 1698150536 ODPZILLVAOHLCE-VQIMIIECSA-N 440.570 1.168 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1COCCO1 1705481395 GBPSSVONXSAVJU-RDJZCZTQSA-N 433.534 1.069 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)C2CC2)c1 1705504134 NXULWHXSZZFWIT-QHCPKHFHSA-N 438.532 1.634 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCS(C)(=O)=O 1705622349 GCEKHLCCUKVVAY-UHFFFAOYSA-N 441.351 1.838 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705659984 KNLJGFFGYKGAMX-INIZCTEOSA-N 441.623 1.399 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705905244 OVISFODRWIFJRE-UHFFFAOYSA-N 433.516 1.562 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)OC)C1 1705936712 XADCDAMCHLNRCY-JKSUJKDBSA-N 426.539 1.162 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1708292654 QZDOGZIVSBCJFU-SFHVURJKSA-N 434.508 1.389 30 10 IDEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1712234331 AJWGJAHNSNLRBM-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367928 PBURXQGQJZAQLV-RBUKOAKNSA-N 436.578 1.616 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1722445660 VOHJGCYFEZYBCU-QMHKHESXSA-N 441.507 1.590 30 10 IDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722630407 ZUGVGYIEZUUPRJ-UHFFFAOYSA-N 432.569 1.387 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722695161 VOLPWIKIHAEYOM-LJQANCHMSA-N 437.504 1.567 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)N(C)CC)C1 1722713163 FDUIQBPYFJHEOP-HNNXBMFYSA-N 437.504 1.854 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)CC1 1728609086 RHSLETLNBUQMRG-GIVPXCGWSA-N 445.612 1.768 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC(C)C 1740537653 XSMNMNGGDRROGG-GFCCVEGCSA-N 443.371 1.821 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C 1740547520 WRHMMVDVZPXHMU-HNNXBMFYSA-N 431.566 1.565 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1740629090 ACRZZPQLVXMGNJ-UHFFFAOYSA-N 439.541 1.180 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1740630399 HOPFDPVUVGUZDN-INIZCTEOSA-N 435.463 1.783 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1740653803 YTIUHUJCGJXYGT-HKBQPEDESA-N 436.541 1.424 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C(N)=O)c2)CC1 1740695427 QZECPYVCNAUYKF-UHFFFAOYSA-N 429.528 1.745 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2scnc2C)CC1 1740700834 JUWWFDKYPULMFE-HKUYNNGSSA-N 430.578 1.765 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCn2cncn2)CC1 1740708409 OLLTZIPFUUBWHZ-UHFFFAOYSA-N 446.559 1.711 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C)C1 1740751046 HCGYVEIPLCLCJB-VIQHNZTISA-N 427.571 1.483 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnccn1 1740752558 XWDYSYPTYFACOI-VYDXJSESSA-N 435.554 1.296 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740789923 SIPQDRQEORBIJK-QGZVFWFLSA-N 444.923 1.338 30 10 IDEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1740853834 ASSBQXREBRHRJW-UXHICEINSA-N 436.560 1.984 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1740970382 KFKHPFFDDOTFSY-PMACEKPBSA-N 446.596 1.652 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1740973012 QADPEJJOBJYCAE-NZQKXSOJSA-N 447.580 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740990179 LAEJRFMFHPWKPT-UHFFFAOYSA-N 445.549 1.493 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1741130575 AGRAHLUQBAJAHB-JKSUJKDBSA-N 433.534 1.860 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1748814253 BUGHOSDSRGGYLQ-ROUUACIJSA-N 435.594 1.631 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748815780 UBFTXBVZOLNVFK-IBGZPJMESA-N 442.589 1.761 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CN(C)C)c2)CC1 1748971156 FSEXCBVATUGOKQ-UHFFFAOYSA-N 435.576 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCOC2)CC1 1749020006 HXNOHFJRGLCISN-IHPCNDPISA-N 445.564 1.395 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCCC1 1749494785 WQZIWZPHDXGMQQ-QGZVFWFLSA-N 426.587 1.109 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCCc2ccccc2)C1 1749712641 KDEJUPQSYQUKBM-WOJBJXKFSA-N 425.533 1.922 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1750077566 HWWJMPGEAMXJBS-QGZVFWFLSA-N 439.545 1.838 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1750206252 BDYKAQQFIYBMEJ-UHFFFAOYSA-N 433.534 1.087 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1751020995 BYJUJGLWPRNDJK-BHDDXSALSA-N 432.569 1.515 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1751099230 XNUZISGKQVCAIH-DBHNTLKXSA-N 447.584 1.854 30 10 IDEE Cc1cnc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1751729646 BYQBGYHYWAEOGL-XBFCOCLRSA-N 439.567 1.186 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1760117466 PELRWXQRACCNGC-GOEBONIOSA-N 447.527 1.912 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1760144112 DIPMBDSJPGOYDK-UHFFFAOYSA-N 440.552 1.735 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2Cc2cnnn2C)n1 1760252597 QAYROSPWRIPXGE-UHFFFAOYSA-N 431.504 1.605 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCn3ccnc32)CC1 1760257270 SJHSXVAGTRKKGF-MOPGFXCFSA-N 427.553 1.531 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760305637 LZUHKFJLJGTQAQ-MRXNPFEDSA-N 441.355 1.602 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1760540580 LFEFLBIRIOSEKX-IEBWSBKVSA-N 426.521 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1760556675 MJXFXGCNOKSFBJ-MRXNPFEDSA-N 449.508 1.250 30 10 IDEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1760769869 HIWUGGYTUUEBLI-KRWDZBQOSA-N 433.520 1.913 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCSC1 1761221114 BWDQIDQGEPYPJD-ZDUSSCGKSA-N 427.534 1.704 30 10 IDEE CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1\N=CC=CC1=O 1762870668 CDESQEQBUBBPMP-VHEBQXMUSA-N 425.449 1.912 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CCN1CC(F)(F)F 1763077136 GTCDOGRZGRBYBQ-AWEZNQCLSA-N 435.454 1.978 30 10 IDEE CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1765204292 IGXBYMWYQLPNPD-DCOQFNDQSA-N 447.565 1.275 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)CCOC1 1767481902 FBWMJFBWCULZRO-XQBPLPMBSA-N 448.568 1.016 30 10 IDEE CCOCc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1767752051 HBSMBRPYDPXKLU-RBUKOAKNSA-N 445.545 1.494 30 10 IDEE CO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769062572 RTAHIIBQNZZWEG-SGRLSNSRSA-N 437.504 1.406 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1770790749 BJIUPVLOIRRMBR-SJORKVTESA-N 427.484 1.412 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC[C@@H]2CCOC2)c1 1771530893 WOZPIOMMIBEDQR-SFHVURJKSA-N 438.532 1.962 30 10 IDEE COc1cc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC 1851489917 JGYWLHVBZGHIPR-UHFFFAOYSA-N 426.473 1.958 30 10 IDEE CN1CCN(c2nc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)c(C#N)cc2C#N)CC1 1851791012 JLYHRYNUTQYTRO-GOSISDBHSA-N 435.532 1.696 30 10 IDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccccc1Cl)C(C)C)[C@H]1CCN(C)C1=O 1852959278 BUOHXKOGVQXPLV-DOTOQJQBSA-N 427.954 1.888 30 10 IDEE NC(=NOCCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1 1853584172 DGLSLGXXHOJHLO-INIZCTEOSA-N 442.438 1.582 30 10 IDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)CC1=O 1853871831 BHUSLESLCKWPHP-CQSZACIVSA-N 425.457 1.795 30 10 IDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1860735106 DYVFGHTXEFOUJN-XBXARRHUSA-N 437.861 1.837 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862632937 BDHWEPZAUWNLHS-QGZVFWFLSA-N 428.353 1.600 30 10 IDEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCN(C)CC1 1870378124 LCRBVXMCOQKFQG-UHFFFAOYSA-N 436.512 1.457 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCN(CC)CC3)ncnc21 1873593560 DPRYRZLGYCJJMU-UHFFFAOYSA-N 441.580 1.211 30 10 IDEE Cc1sc(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C#CCO)c1C 2237727115 GHLGWMLBSXIHNX-UHFFFAOYSA-N 446.550 1.767 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2243416743 MKNHNVJCVSGMBG-HNNXBMFYSA-N 426.266 1.647 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255627807 YSPLSGSPZMORPL-KBPBESRZSA-N 432.330 1.933 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2255649185 QWGDSCWHIGAQSM-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C1 2255751982 FCTWIWJVHRYHJV-QGZVFWFLSA-N 446.382 1.272 30 10 IDEE Cn1cc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255821798 GNVCSULZOMLPRZ-NRFANRHFSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]12CCN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255826909 SZPHGTAYKZDHRJ-NRFANRHFSA-N 432.330 1.934 30 10 IDEE CC(C)(C)OC(=O)NC1CN(C2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2255857750 JVRQIAYYYDHURO-UHFFFAOYSA-N 433.358 1.821 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255878816 FVEHOXBWIVNMMM-HNNXBMFYSA-N 432.330 1.809 30 10 IDEE COCCN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2255953108 DACWQLQPMCXCIQ-UHFFFAOYSA-N 449.382 1.865 30 10 IDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256680493 XQHKZHQPJUAWNX-HNNXBMFYSA-N 434.346 1.774 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)CC(=O)O)[nH]n2)OC1(C)C 2256924946 PPHUJKIHTAOEHN-OAHLLOKOSA-N 429.282 1.499 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267137256 LPMIRHKGPATKEG-MIFYACCESA-N 446.357 1.797 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]21 2267159757 LKRJPYJVNRCCFO-PMPSAXMXSA-N 444.341 1.904 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267219669 HSTNFQDUXUTJMA-ZDUSSCGKSA-N 441.259 1.912 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267265367 FDBJBCLEPDLZJG-KBPBESRZSA-N 449.361 1.490 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)n1 2267549537 MXAZCUVGSCNRKU-ZIAGYGMSSA-N 447.345 1.338 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC1(C)C 2267604687 IBJRCJCHLAYNGL-CYBMUJFWSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2268651483 WSLREPCSNBBHOB-UHFFFAOYSA-N 446.357 1.872 30 10 IDEE CC1(C)OB(c2cnc(O[C@@H]3CCN(S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2285601433 WZTQMPFQFITOPJ-GFCCVEGCSA-N 447.160 1.556 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2320448032 KZLFMPARPHKHLV-KRWDZBQOSA-N 427.310 1.473 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)C=Cc2ccc(F)cc2)C1 2328071906 PNIJJMZWOJMLCH-XLIONFOSSA-N 435.455 1.941 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)N(C)CC(=O)NC3CC3)nnc12 21396597 DBJVEQPIECJVPD-ZDUSSCGKSA-N 440.529 1.448 30 10 IDEE CC(=O)N1CCc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 23557867 LOQBSMVFSUQDBR-UHFFFAOYSA-N 438.509 1.614 30 10 IDEE COc1c(O)c(O)cc(C)c1C(=O)O[C@H]1CC2=C(COC(/C=C/C(=O)O)=C2)C(=O)[C@]1(C)O 35466104 GJNBQACJJQJHGH-GITBEUPKSA-N 446.408 1.516 30 10 IDEE biogenic C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2c(OC)ccc(OC)c21 44359905 QHHBGUHCHYTPBF-RUWSDDDDSA-N 425.532 1.757 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)c1=O 101350960 VHNJOLNOJFUYKC-UHFFFAOYSA-N 443.485 1.744 30 10 IDEE C[C@@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)n1cnc(C#N)n1 409475304 NDQOHBDYIZQYJE-RYUDHWBXSA-N 432.282 1.746 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCO1 409576035 MBJINKBNMBHQCO-NWDGAFQWSA-N 439.847 1.391 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1 477476669 OHIUDMDYHVZDRR-UHFFFAOYSA-N 427.548 1.415 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccccc3)c2=O)cn1 478847602 HEMUGCIUGNPRMM-KRWDZBQOSA-N 434.521 1.614 30 10 IDEE C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(c3oc(-c4ccco4)nc3C#N)CC1)CS2 481821722 CGYCXCJGJQIFQE-VBKZILBWSA-N 427.486 1.909 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 504980822 ZHWAHOSZOIAYOU-FQEVSTJZSA-N 433.528 1.096 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)CC1 534567477 RZSBWZJWJOZLGM-UHFFFAOYSA-N 428.493 1.116 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 541074383 DCMFCDNTNNOBQR-CYBMUJFWSA-N 445.522 1.931 30 10 IDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 563703526 QGVRIDQITAAKTD-IBGZPJMESA-N 446.573 1.866 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCOC[C@H]2CCOC2)CC1 610139007 CMGKXOQWKUHDNH-QGZVFWFLSA-N 436.534 1.017 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccccc3S[C@H](C)CC#N)CCN2C1=O 610776394 AMQBUNPTPKIXDI-UKRRQHHQSA-N 429.502 1.514 30 10 IDEE CN(C)S(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 611362999 WTQCKJNUZLJBNS-UHFFFAOYSA-N 427.530 1.859 30 10 IDEE COc1ccccc1NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831103 PHGILMGVBDWDKH-QGZVFWFLSA-N 436.424 1.954 30 10 IDEE COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 734814683 FNDBYKHNOXOCHY-VGVBMJIYSA-N 444.488 1.904 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 741452282 CWUXYNSDTSYMPF-FUHWJXTLSA-N 447.605 1.909 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N(CCO)Cc1cc(Br)cs1 755700324 CEVQOKBULDNSBV-CCEZHUSRSA-N 443.323 1.541 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C1=O 771436478 CWMQYQUTRGWSMH-FCHUYYIVSA-N 442.472 1.122 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CC(C)C 781650634 ZNTZHPCPZHBENB-UHFFFAOYSA-N 428.558 1.616 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(c3cc(CC)ncn3)CC2)n1 789058839 PQUYVRVTOCBTSO-UHFFFAOYSA-N 425.537 1.696 30 10 IDEE O[C@@H](C[C@@H]1COCCN1CC#CCN1CCOC[C@H]1C[C@@H](O)c1ccco1)c1ccco1 792872806 PORPAFRCSSOYKI-YSFYHYPLSA-N 444.528 1.825 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCC2(O)CCOCC2)C1=O 795179198 XUVZKMVVFNFTRF-GOSISDBHSA-N 448.589 1.618 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2C[C@H]3COC[C@@H](C2)O3)c1 801619399 LDZYYNCGALHBMW-USIMHWGNSA-N 436.534 1.911 30 10 IDEE Cn1c(N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 813628135 NVGCKQASDQKFJA-IEBWSBKVSA-N 437.500 1.487 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1 917382781 SUJOATWOJIFSFO-UHFFFAOYSA-N 447.538 1.417 30 10 IDEE C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 921218504 XXTCCTYXSFCKFS-BXBHGGAKSA-N 436.530 1.656 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCc3nnc(C(F)(F)F)o3)n2N)cc1 1084214026 MVYRWMXJTXVJDK-UHFFFAOYSA-N 442.383 1.919 30 10 IDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 1129265016 YYNBAVZAQGFBDH-QFIPXVFZSA-N 429.440 1.853 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(Br)cn3ncnc23)[C@H](C#N)C1 1138108093 IJXFETWXWZJVND-ZWNOBZJWSA-N 435.282 1.981 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)s1 1139773323 QANTYSIBIAMSSQ-GOSISDBHSA-N 447.582 1.981 30 10 IDEE Cn1cc([C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C2(CO)CCC2)cn1 1141342440 BGBSKJKOINYAHK-IBGZPJMESA-N 445.545 1.259 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(c2ncccc2C(N)=O)CC1 1142543894 HZIADLVZDVBDPP-UHFFFAOYSA-N 444.289 1.542 30 10 IDEE CN(C)[C@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C12CCC2 1149194111 IKOWHYWOOUAMAR-PMACEKPBSA-N 430.574 1.948 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3cccc(OCC)n3)CC2)cc1 1159316692 OVQWCSCIJHWZLP-UHFFFAOYSA-N 442.541 1.791 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 1168910768 FUKHKCGZGRTVEF-UHFFFAOYSA-N 440.569 1.368 30 10 IDEE C#CCCN(CCOC)Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1174845282 LBLFYVNBHVVOEI-UHFFFAOYSA-N 434.562 1.549 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1 1184059848 HNPMXRXJCHLJPU-UHFFFAOYSA-N 427.486 1.073 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 1191582985 PYYHWDUGGICKTC-UHFFFAOYSA-N 425.536 1.117 30 10 IDEE CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1COCC12OCCO2 1251791615 CZROTXWDEAWKGI-LJQANCHMSA-N 432.496 1.945 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1286301569 FVEYPQGIISILBM-CQSZACIVSA-N 426.502 1.637 30 10 IDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286322476 BPYOOQWAIINFNU-QGZVFWFLSA-N 433.520 1.984 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1286407730 PQOKQQQBRDLFBX-HNNXBMFYSA-N 432.406 1.686 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1286433895 OPZQGINETXCLCS-UHFFFAOYSA-N 441.557 1.664 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCOC(C)(C)C2)CC1 1286469558 IYLNJSBUDNTRHS-UHFFFAOYSA-N 445.612 1.063 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286475611 CPYOHBBVBDRMAI-LJQANCHMSA-N 438.557 1.397 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286713916 HGHAVWGHFLSCHY-RTBURBONSA-N 432.569 1.150 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286781705 XWHNXVPQYMKPSN-OAHLLOKOSA-N 425.541 1.334 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1287280435 PRFFKFGUGSDZPJ-GRNWLOBZSA-N 437.504 1.728 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN4CCSC[C@H]34)CC2)cc1 1288801079 LUCNYVGUPLMSOQ-VQTJNVASSA-N 448.614 1.655 30 10 IDEE CCc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1293121836 IVMLPJGYAYRKTG-RAJOGRCSSA-N 429.525 1.060 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1299073290 MQPOTDSJEIBUAE-UXHICEINSA-N 438.532 1.975 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300484233 PESATASUNPHHRQ-SFHVURJKSA-N 442.520 1.895 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300498377 JVDRFAMYEARUKX-NQIIRXRSSA-N 431.562 1.442 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCC(N)=O)CC1 1300863862 VJDBYYQHHGWTBH-PKOBYXMFSA-N 432.569 1.879 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)CCCOc3ccc(C#N)cc3OC)CC2)CCOC1 1301073163 SJOCRSONKQVUAL-QFIPXVFZSA-N 431.489 1.202 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)C2)c(=O)nc1O 1305589095 CJUSQADZLARNMM-CQSZACIVSA-N 441.875 1.410 30 10 IDEE COc1ccc(NC(=O)CN(C)CCc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1308017989 ZFIFEZAXCJYOOH-UHFFFAOYSA-N 430.530 1.930 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 1312626933 QOVMRVTZGGPPJO-XSDIEEQYSA-N 442.516 1.264 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1312710837 UHZGGBLNGOHJFK-MOPGFXCFSA-N 430.530 1.984 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnccc1OC 1316205747 IPLBDBNWNMZLER-APWZRJJASA-N 441.536 1.631 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1358889542 DFFMUFCGTBJALB-HKUYNNGSSA-N 443.573 1.523 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1358939019 OFQHZORFUJGELQ-MRXNPFEDSA-N 427.534 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1359039923 AXZGKTJDIKDKMW-MBSDFSHPSA-N 444.580 1.730 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1359063416 RZSMNJCUTQPMKY-MGPUTAFESA-N 428.518 1.352 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](OC)C(F)(F)F 1359063984 INXBWGQERHGYDJ-DVOMOZLQSA-N 437.488 1.848 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1359300192 WDCSBWKTCPERQO-SFHVURJKSA-N 430.553 1.803 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359301877 OEPUCNISUHYBEZ-UHFFFAOYSA-N 441.536 1.321 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1360215601 QZRCRUYIPKUTAE-UHFFFAOYSA-N 425.493 1.378 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1360797334 OKBNXHBPPFEXPC-QIEZACGCSA-N 441.536 1.239 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C3CC3)[C@H](C)C#N)CC2)cc1 1452983436 HIUPGALCERMTQA-MRXNPFEDSA-N 448.545 1.211 30 10 IDEE C#C[C@H](NC(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1)c1ccc(Br)cc1 1478896009 IUFGEBPGDPUOLN-JONQDZQNSA-N 427.320 1.577 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1479279328 OEKNIGUZJUKWKK-HXUWFJFHSA-N 437.500 1.008 30 10 IDEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1496187635 HFMOKYIDDBROAN-QGZVFWFLSA-N 425.537 1.737 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503542487 LTORECFMNXLVNB-FTFAEBDGSA-N 430.509 1.314 30 10 IDEE COC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1504587313 CGOATGKSAPWCGF-HXUWFJFHSA-N 448.531 1.519 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)CC 1507642539 WNNAHVZLIWLLRK-SSEXGKCCSA-N 446.602 1.388 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1507721094 YFXOZCYPHOCXAP-CVDCTZTESA-N 445.564 1.875 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCC(F)F)CC1 1507736209 HTVVGLJBGWJXKU-UHFFFAOYSA-N 448.449 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507739760 KKYOYPXEVGZPTI-KSFYIVLOSA-N 443.573 1.436 30 10 IDEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1507928372 IXCYCXOKWKPBCJ-RTBURBONSA-N 438.532 1.322 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1508039802 QQZAAQJCZDGLTD-MRXNPFEDSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(C)=O)C1 1508073035 LUPABBXSVNRIFN-INIZCTEOSA-N 427.465 1.260 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccco1 1508144318 CSVUEKRPFPRLOC-AWEZNQCLSA-N 428.536 1.010 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1513409739 JNAXXYUWQJULHE-NJNPRVFISA-N 446.552 1.653 30 10 IDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1513459026 DLZXAUSYDOFXKE-RBSFLKMASA-N 433.513 1.261 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C[C@H](C)O1 1518912451 AXUMJUGLNMUFKJ-LPHOPBHVSA-N 426.521 1.972 30 10 IDEE CON(C)S(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)ccc1Cl 1524664979 TVYURTFQQVMJLS-UHFFFAOYSA-N 434.861 1.992 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539023571 VOVVNGKBTBEIGG-SJORKVTESA-N 431.562 1.617 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1539072526 SGXYJRXWIHNUAK-DLBZAZTESA-N 441.623 1.746 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1539132044 BNTPYLPCGGZJDT-HUUCEWRRSA-N 437.591 1.941 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1539417357 FPCFXUMVUFUOLE-HXUWFJFHSA-N 434.548 1.752 30 10 IDEE C#CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1539530959 QBVHNRUFPUYIPK-DGCLKSJQSA-N 445.521 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540902662 NUTHSHZEBHIDBF-ZIAGYGMSSA-N 438.472 1.540 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1540903344 DCWOKTRHIUSSAO-MAUKXSAKSA-N 445.501 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)S[C@H](C)C1 1540904130 KSGQHVSYTCUZOW-RBSFLKMASA-N 448.636 1.111 30 10 IDEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1543999906 NMVUNAPZHLFGIF-UHFFFAOYSA-N 431.499 1.543 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1 1544508375 DQDORXWWIRJRIY-APWZRJJASA-N 440.525 1.646 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC1 1556504253 QBKIEQWDNYAKHZ-UHFFFAOYSA-N 431.290 1.611 30 10 IDEE C=CCCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1558957614 NJDDERVQOCAYOV-OAHLLOKOSA-N 443.591 1.596 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCCCOc2ccc(Br)cc2)CC1 1559718964 ZMVHVEAVEIHYTR-UHFFFAOYSA-N 430.368 1.693 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 1570495859 ZFAXDDNKNGXRBG-BHYGNILZSA-N 448.545 1.835 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1 1585000200 RCQALXJTUWSGFX-UHFFFAOYSA-N 430.459 1.442 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnnn1C 1587621411 UCQJBEJZYUURMS-HNNXBMFYSA-N 431.504 1.871 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1588045799 QZEBQLBLVVVTFY-LJQANCHMSA-N 442.589 1.843 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1588128375 JGQMNSZHZNBBGB-LJQANCHMSA-N 434.500 1.303 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593746416 DLINNOZTEYPACU-MRXNPFEDSA-N 427.571 1.235 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1595185455 ZDPJLWMDGRHRAS-OAQYLSRUSA-N 448.545 1.690 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2nccs2)CC1 1595467783 ZSQNWTBXVHHCSZ-UHFFFAOYSA-N 429.550 1.657 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1595529592 ADBMFMLICUEKGC-INIZCTEOSA-N 435.488 1.704 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1595556174 PYMNTHOMHVXZFX-IBGZPJMESA-N 442.539 1.469 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)c1 1596681204 QMNBDTMPHRUFDM-OAHLLOKOSA-N 429.498 1.038 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)COc1cccc(Br)c1C#N 1617365420 PSOSHMQFARMEDQ-BXUZGUMPSA-N 430.324 1.534 30 10 IDEE CN(C)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1617668579 BSABUAQKROUCFK-OXQOHEQNSA-N 432.525 1.736 30 10 IDEE C#CCNC(=O)CN1CCN(C[C@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)CC1 1618171062 JTAYTGQBFKUQCU-FQEVSTJZSA-N 444.576 1.671 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CCO1 1618692880 GVPQBOQNOUBFTO-IAGOWNOFSA-N 444.586 1.617 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCC[C@@H]1C 1620018252 BRHDVOXLAAEFEL-NLWGTHIKSA-N 431.585 1.663 30 10 IDEE N#Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCS(=O)(=O)CC2)o1 1620350911 OGEIECWBKSPCCV-UHFFFAOYSA-N 427.486 1.647 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 1626713238 DVQCUDIDPGRYTH-VGOFRKELSA-N 432.521 1.375 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cn2ncnc12 1631745572 UXLADBCRVCPYHI-NSHDSACASA-N 427.266 1.504 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1636512363 CPQASCBDIWAJQW-MEDUHNTESA-N 428.392 1.315 30 10 IDEE C=CCOCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1637239198 USOFXZPKVHFFGP-AWEZNQCLSA-N 429.258 1.676 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1 1640202605 SPPJNEWNBNSSEM-CQSZACIVSA-N 449.451 1.784 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC#C[C@H]2CCCCO2)cc1 1640380143 CAFCKYQVMFWIGK-SBHAEUEKSA-N 434.558 1.623 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)C2)c(=O)nc1O 1640637451 ZQPZLXHFZJKPJD-UHFFFAOYSA-N 442.229 1.122 30 10 IDEE CN1C(=O)[C@@H]2CN(C(=O)[C@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C[C@@H]2C1=O 1642843993 HETRTXNGXFUDPM-FGTMMUONSA-N 438.484 1.466 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@@H]1C(F)(F)F 1644886156 BGXMZPJJEPFUIY-RYUDHWBXSA-N 445.398 1.125 30 10 IDEE N#Cc1cn(CCNC(=O)c2ncc(Br)cc2Br)c(=O)nc1O 1646146976 DOEJTNDLBVLCQD-UHFFFAOYSA-N 443.055 1.171 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1648156169 XWSVDQDJIBRPMX-OXJNMPFZSA-N 445.522 1.498 30 10 IDEE C=CC[C@H]1CCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1653340922 NFMAVGFEJFXKEF-INIZCTEOSA-N 432.546 1.704 30 10 IDEE COc1ccc(C(NC(=O)CN2CCN(C(=O)CC#N)CC2)c2ccc(OC)cc2)cc1 1654490744 CNUXQSLVNVOJMG-UHFFFAOYSA-N 436.512 1.967 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 1661513106 ODQMPJLQLOGHQI-NSHDSACASA-N 436.458 1.007 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C 1661545060 PQAPGZPYQKSUPA-GDBMZVCRSA-N 426.560 1.911 30 10 IDEE COC(=O)c1cc(OC)ccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1662687107 DRHQNBNXRVSXDR-IUODEOHRSA-N 439.490 1.519 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1671820281 PDOUYJWKBFJSFF-XTDOFWJNSA-N 426.539 1.402 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 1687461166 JDWSYXBLUPQGLJ-MRXNPFEDSA-N 441.351 1.231 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689993408 CSDPRMCEXRRURZ-LJQANCHMSA-N 447.605 1.650 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1690076821 BVAXROXWSIQWDE-INIZCTEOSA-N 436.559 1.114 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690130915 PYCVKODKVZEHQZ-CYFREDJKSA-N 439.560 1.367 30 10 IDEE C#CCSCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690185785 GYZHRDBRBVSSJS-SIKLNZKXSA-N 449.621 1.455 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1690497081 GZXNUDXAMBXOPO-UHFFFAOYSA-N 428.541 1.434 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOCC1 1690666046 XQTYHRDHZSRZOI-UHFFFAOYSA-N 436.310 1.855 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncnn2C(C)(C)C)C1 1690709009 BRPFLUUUSXRDED-INIZCTEOSA-N 428.541 1.577 30 10 IDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1692880311 RFFCJCXLGSSYHI-SFTDATJTSA-N 426.452 1.976 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1696700898 BZHMPZTYBRELIQ-UHFFFAOYSA-N 437.529 1.884 30 10 IDEE CN1C(=O)C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)CC[C@H]21 1696847842 HTKGYNWYOQQPKX-JKSUJKDBSA-N 443.458 1.255 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539109 JMRIMFPVHKHRRW-PGRDOPGGSA-N 431.537 1.171 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1705604832 UWQREFOTZQDFOQ-INIZCTEOSA-N 446.577 1.292 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2F)CC1 1705647663 KMNZGONMAAYVJZ-LJQANCHMSA-N 438.507 1.577 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCSC2)C1 1705661434 BGYFGCGCCCDUOJ-YJBOKZPZSA-N 426.633 1.880 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1705907426 MJIKMGNCKMRQND-IAGOWNOFSA-N 430.553 1.487 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)C1 1705926021 XGLSAXZPACCBMW-HUUCEWRRSA-N 449.524 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(F)cc2C1 1705934775 WWJBEAKRQVJODN-KRWDZBQOSA-N 433.509 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)(C)C)CC1 1705937897 HZLPQHMNBGPTRE-UHFFFAOYSA-N 449.625 1.661 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1711238547 IJWGGGKGUXRVSZ-HYHOCUEZSA-N 447.499 1.958 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCSC2)c1 1722309490 NYLCPTDRWBMFTF-VGSWGCGISA-N 441.557 1.706 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722369041 VCKLKMQNFDMSGI-CABCVRRESA-N 432.493 1.428 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1722384436 QKCHDTSKSKQWSW-LJQANCHMSA-N 426.498 1.464 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1722388204 QYZJKVRSCVMEST-HTAPYJJXSA-N 429.521 1.574 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1722394105 NLTUINCZMAPRAN-LSDHQDQOSA-N 429.484 1.638 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@@H]2C)CC1 1722441558 SMUVKCCRUAJPFK-NRFANRHFSA-N 438.576 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)Br)CC1 1722447737 MZQZQGLOMIPMTE-CYBMUJFWSA-N 446.296 1.736 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1722639119 ZEUIJHJMOZVQOY-UHFFFAOYSA-N 445.549 1.888 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncc(CC)s1 1722680821 ASASAOCFIUKGLD-AWEZNQCLSA-N 425.580 1.886 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722701586 WDXGQJBPIQPLSU-KRWDZBQOSA-N 438.598 1.079 30 10 IDEE CCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)cs1 1727470789 GPSMCVKVEZEEOL-UHFFFAOYSA-N 445.574 1.869 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C[C@H]1O 1729782522 HAFHYZPFUBEFND-AUOLZGSSSA-N 443.529 1.088 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC)C2)c1 1740562096 GKBUNCWODNAPRT-QUCCMNQESA-N 449.559 1.627 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC=C)c1 1740562905 OFLPOSRKKFQGHD-IBGZPJMESA-N 436.516 1.878 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740595881 ZNTUIPOQYGDQQM-UHFFFAOYSA-N 435.580 1.999 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1740612718 YNWJFBDIFIAJQS-QZQOTICOSA-N 430.472 1.112 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1740655400 ATRIOVABVDSPRW-LJQANCHMSA-N 443.529 1.193 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCc1cnn(C)n1 1740676525 FTQKQVXINKUPMB-LJQANCHMSA-N 436.495 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCNC(C)=O)CC1 1740708103 BOEOQPYKJAAQQQ-UHFFFAOYSA-N 428.562 1.422 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1740887088 BQWOSALWAHUNLT-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1740940721 QHXWTDBDYOJPFM-GOSISDBHSA-N 427.505 1.962 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1741005646 MNYSVZDHAHJEBB-CQSZACIVSA-N 434.591 1.856 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCc2ccco2)CCOC1 1741124461 FJXGNNAYVDKXHV-IERDGZPVSA-N 430.509 1.824 30 10 IDEE CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1741422159 CTIIGCAKBCUARF-FRQCXROJSA-N 426.562 1.598 30 10 IDEE CCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1747377993 MIHCKJFSMVSSMN-UHFFFAOYSA-N 435.536 1.770 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@@H](C)O1 1749546166 GGLWSVMYTBAIDS-FYINFDKHSA-N 429.546 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1C(C)(C)C 1749739793 JSESYBVUTNHTKH-GOSISDBHSA-N 439.626 1.725 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1749829966 BZFWRCALXNFJDU-SFHVURJKSA-N 447.561 1.912 30 10 IDEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1750484466 PLWGXDVVTVKUSC-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1760162899 JIEXGYQJVXVJCL-LBPRGKRZSA-N 431.440 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760201673 HSOIGIZMVUOIML-OAHLLOKOSA-N 448.449 1.963 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1760203229 YILSWCJKKANHRZ-RTBURBONSA-N 443.548 1.881 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1760204502 RXAVEUOFCLVZGI-UHFFFAOYSA-N 426.542 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCSC1 1760223276 BVVLLGFZTNBKPN-HXUWFJFHSA-N 429.571 1.601 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC)C1 1760306476 DMIPIYQTJCIQNO-GFCCVEGCSA-N 440.298 1.766 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760356502 OYVSFWCYZWTNIZ-QGZVFWFLSA-N 444.540 1.226 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760515769 ZEVBASNYPJWMPE-MRXNPFEDSA-N 439.520 1.359 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCCN3C[C@H]2C)n1Cc1ccc(C#N)o1 1761476382 MHIKZCZHXORUIJ-QLFBSQMISA-N 433.538 1.074 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)C1=O 1767443362 GOGPKDCUGVMPFO-UHFFFAOYSA-N 437.504 1.498 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768005385 HHTAVUONOZVQBG-JROKQLJMSA-N 444.536 1.561 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1768145171 AQRXQYOQCCYGBM-UHFFFAOYSA-N 446.515 1.674 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1771218548 QTMYHFRNPVUSER-ZWKOTPCHSA-N 444.536 1.674 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CCO1 1771538451 CLPJIIYHZHNCKQ-GOSISDBHSA-N 440.435 1.634 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)c2ccc(C#N)cc2)CC1 1848572471 VGBBVSMXJRDIPT-FQEVSTJZSA-N 441.557 1.736 30 10 IDEE CN=C(C[N+](=O)[O-])N(C)C(=O)c1c(C(F)(F)F)nn(C[C@H]2CCCN(C(C)=O)C2)c1C 1852355034 ZMLDVRJDEWXDHM-ZDUSSCGKSA-N 446.430 1.846 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2OCCc3ccccc32)C(=O)C1 1853955283 TVVKDPOTTHSOBH-FQEVSTJZSA-N 425.466 1.232 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C(=O)C1 1855320425 JOXJMXJYROSBOR-ZDUSSCGKSA-N 431.967 1.659 30 10 IDEE C=CCCC(=O)N1C[C@H](CN2CCCN(C3CCS(=O)(=O)CC3)CC2)CCC1=O 1855690276 WOKHJROJKOMRLS-SFHVURJKSA-N 425.595 1.303 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OC(F)F)cc3)C2)CC1=O 1856808653 IAFDLEHPYZUNTE-OCCSQVGLSA-N 446.428 1.170 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1 1865730275 ZZJJEJDGKXUDPX-OAHLLOKOSA-N 442.903 1.633 30 10 IDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)c1 1891738908 XRGLKBHQFLIZBV-ROUUACIJSA-N 432.546 1.775 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)CC1 2082038082 VOSPDGKFHKBFIY-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE CC1(C)OB(c2cnc(N3CCS(=O)(=O)CCO3)c(Br)c2)OC1(C)C 2116147408 CEPBVYIOEJROBT-UHFFFAOYSA-N 433.133 1.310 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2124540380 GUYYVFJVWQYQTG-UKRRQHHQSA-N 448.329 1.739 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2247802425 QTXDIMKPPQZBIB-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247923039 RNEGXZZNGQVBRU-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]21 2255632076 ICHXWSJTCIGNHB-DAXOMENPSA-N 432.330 1.837 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC(NC(=O)OC(C)(C)C)C1 2255648321 BLMLUWVMTFMZPC-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256623199 POXYHRSEHLKNIK-LSDHHAIUSA-N 433.314 1.859 30 10 IDEE CC(C)(C)OC(=O)NCc1n[nH]c(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)n1 2267000161 UDIDTVHHYYOJIY-UHFFFAOYSA-N 444.301 1.776 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)n1 2267113232 QSQXUPYOXPLCDG-CQSZACIVSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267591346 AJRGPAIURSOIQH-UHFFFAOYSA-N 449.357 1.730 30 10 IDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267607137 ITZNTCKTXRPGJC-CQSZACIVSA-N 449.361 1.586 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2267607289 KWHFJNSZJBVNHZ-HDJSIYSDSA-N 449.361 1.538 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267727220 UPTQBXQMMBJEQE-UHFFFAOYSA-N 448.325 1.403 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267873290 OFSUXUIFJGTBKH-CQSZACIVSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267876364 MPJFGENEAFDWHC-ZNMIVQPWSA-N 444.341 1.904 30 10 IDEE Cn1cc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1 2269065793 SFFYSJXMSGLASR-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE C[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2282507382 GTSGUXFSJQOUTF-ZDUSSCGKSA-N 446.400 1.651 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)n1C 2337189729 FHPLFBWNGGBYOP-UHFFFAOYSA-N 444.263 1.311 30 10 IDEE COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 19721915 GMIXMOSVMBLICZ-IZZDOVSWSA-N 433.515 1.184 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)n1 479394009 LUFYYYBRTOQVCP-MRXNPFEDSA-N 427.526 1.611 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C(C)(C)C)cn1 479579877 VENGANQBGUBIMF-WIYYLYMNSA-N 435.532 1.724 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481979072 GMNBCNWXSIZPEF-HNNXBMFYSA-N 440.550 1.147 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 483095703 BRFHRXMXTPGMTN-QAPCUYQASA-N 432.546 1.522 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)CC1 492378561 ZWTPPADUIQFBKR-OAHLLOKOSA-N 434.924 1.148 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 502568419 HKNGQVOZQYRQOT-FQEVSTJZSA-N 437.518 1.908 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1C[C@H]1CCCO1 514330111 UUGOJLBRYLOTJD-USXIJHARSA-N 441.553 1.834 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 514916376 LBGFIRQNFMGCEA-HNNXBMFYSA-N 433.480 1.396 30 10 IDEE COCC[C@@H](Cc1ccco1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 542308368 YUYZGVWPXDKGKV-SFHVURJKSA-N 446.529 1.815 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1F 590915605 MGLFFNFJTAKCPO-HNNXBMFYSA-N 445.516 1.264 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2CCN(Cc3csc(CC)n3)CC2)CC1 604195231 IXRKOEZQKXPABR-UHFFFAOYSA-N 448.637 1.547 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1-c1ccc(F)cc1 619538147 WQQIXYQGKHHKAO-UHFFFAOYSA-N 443.887 1.949 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F 732465064 DHHUAIMZQUVMRI-IAOULYHDSA-N 446.813 1.916 30 10 IDEE C[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 732651496 BKEUHSNEBJFMDT-RISCZKNCSA-N 431.290 1.632 30 10 IDEE C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 732705582 CWFIEGNGWLGBIW-LMMKCTJWSA-N 437.544 1.942 30 10 IDEE COc1cc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)ccc1OCC(=O)NC(C)C 734292251 HRTRLXNBMSAXOX-UHFFFAOYSA-N 445.497 1.897 30 10 IDEE N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 741444133 UEJMDMNEWHOXJU-HZSPNIEDSA-N 430.404 1.655 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc1 744561593 ROULQXJVJKYWOI-KRWDZBQOSA-N 438.502 1.886 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 749550954 MFWPEUMOGOUDRJ-LNNOLSETSA-N 434.452 1.649 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3ccc(F)cc3C#N)ncnc1-2 751554859 SCTIXJYQQJYADH-UHFFFAOYSA-N 433.245 1.744 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCCN2C(=O)COc3ccccc32)C1 758534176 CZPZVUOMISLBHR-CVEARBPZSA-N 443.504 1.860 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CCCCC1 760401554 YBWJNRYVFZUDPK-MRXNPFEDSA-N 447.513 1.940 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 766232338 HSMVABQQOQZJSS-UHFFFAOYSA-N 440.525 1.633 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCN(c2ncccc2C#N)CC1 768219591 KTQKZXNUQHQLKL-MRXNPFEDSA-N 434.953 1.793 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)c1cc[nH]n1 772155297 HBGHEXWWWZKOGT-HUUCEWRRSA-N 429.477 1.946 30 10 IDEE Cn1nccc1CCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 773978079 QYWLOKZKGMLHOF-IBGZPJMESA-N 443.529 1.875 30 10 IDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1cn(CCCC#N)c2ccccc12 774079084 MDVDULZGNZMWBM-GOSISDBHSA-N 432.502 1.947 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780932816 DYIWGIAMIKZWPX-OAQYLSRUSA-N 442.541 1.023 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 787747546 UWFHBQVIOJMMSG-JMERFSKESA-N 431.470 1.192 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cc1ccccc1 805270249 SBVFDJFMDWHDAS-PKOBYXMFSA-N 429.542 1.860 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Br)cc2)N(Cc2cnn(C)n2)C1=O 807939067 KCYHBABQRADWSR-ZDUSSCGKSA-N 437.323 1.845 30 10 IDEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1C)[C@H]1CCS(=O)(=O)C1 809867849 TZLPQVTUBFLDDX-AWEZNQCLSA-N 439.335 1.783 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 812190093 QEPSZRJTOMLUEI-HZPDHXFCSA-N 434.541 1.830 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc2c1OCCO2 917799995 VJMCIRXIKFOSQO-UHFFFAOYSA-N 442.456 1.577 30 10 IDEE Cc1c(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cnn1CCC#N 1133631453 WSUZHJRXLBMPNQ-HNNXBMFYSA-N 439.538 1.259 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1136085966 DTKRGXOEMAYJIM-NYHFZMIOSA-N 445.520 1.833 30 10 IDEE COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c(=O)cc1C 1141802908 CNKFOYXCXKSCDU-ATJXCDBQSA-N 446.529 1.868 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)NCc1c(I)cnn1C 1152823394 NIBMGHSVZTXQIP-UHFFFAOYSA-N 426.214 1.600 30 10 IDEE C#CCC[C@@H](O)CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1155520931 KTBBPJJITVRIQM-VFNWGFHPSA-N 426.510 1.225 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 1157759483 ABCRONDXHRYMAA-ROUUACIJSA-N 436.468 1.884 30 10 IDEE COc1cc(Br)c(OC)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1159490108 LBELIBDSJMITMG-UHFFFAOYSA-N 435.234 1.297 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1 1164154987 HOXXUSBJYWTXKP-HXUWFJFHSA-N 425.514 1.369 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1 1213679570 FHOYOLPWEOBXCO-XUVXKRRUSA-N 435.546 1.039 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1286398718 NETZDUXWPNPJQN-KRWDZBQOSA-N 430.553 1.992 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)cc1 1286461215 PNMZSHPHKISOKZ-UHFFFAOYSA-N 440.548 1.387 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)COC)CC1 1286480455 XHLPSIPFRQVYCB-SFHVURJKSA-N 449.559 1.713 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286506282 HHSGIWPSFBVXRR-IAGOWNOFSA-N 426.608 1.942 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286683527 SWAKRDGCXFSDSK-SJORKVTESA-N 438.598 1.836 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286709998 KAGURDXOFDHYHH-LSDHHAIUSA-N 430.475 1.895 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1288964662 FZIJHOFLBQPECL-GJZGRUSLSA-N 437.497 1.721 30 10 IDEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1291175072 ZWTQACKNLJTCAN-ZEVGMECHSA-N 441.536 1.409 30 10 IDEE COCc1nc2n(n1)C[C@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2 1294664528 GJVRQUKELKYSDJ-YZEMWESSSA-N 444.536 1.642 30 10 IDEE CN(CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1298711664 AVMNSVFVBIOMQI-KRWDZBQOSA-N 427.509 1.860 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300495123 DBRBPNPTTFMNJK-GOSISDBHSA-N 438.594 1.547 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1300555108 TXWNDFIYGRQRNW-UHFFFAOYSA-N 433.516 1.695 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1300569745 STGKYIPEIBITBJ-UHFFFAOYSA-N 443.515 1.429 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)N1CCOCC1 1300590917 IPZSUSGHDIPRGR-HXUWFJFHSA-N 426.565 1.220 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CCO1 1301357956 AVJGRLOGWQKEGS-NRFANRHFSA-N 440.548 1.781 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301577563 LNEGAQMQQOHIAT-KRWDZBQOSA-N 442.501 1.058 30 10 IDEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1303913363 BGCVTQHVJHEVNG-RRMPHLOHSA-N 446.939 1.867 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1303935005 HPKWGQQNYZZAOJ-OXQOHEQNSA-N 449.581 1.068 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1314529301 BGEXFUQEYXEQFG-QGZVFWFLSA-N 428.518 1.062 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)CC1 1314642722 DQYRBAUYKMNPIB-LJQANCHMSA-N 437.548 1.454 30 10 IDEE CN(CC1CC(F)C1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314782414 NKBCAPCKUOOBJY-ZPHPHTNESA-N 445.499 1.225 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1314852772 OKCZLJAJHUVOAL-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1315722335 AIDGBYZYPNFYLD-AJNAEEPJSA-N 444.536 1.560 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C[C@H](C)O1 1315935860 LYAFFFXBSAJQRZ-DBVUQKKJSA-N 427.505 1.862 30 10 IDEE CCOC(=O)c1cnn(C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1C 1341223018 QIZAHJMCZAAZHG-VXPUYCOJSA-N 429.477 1.448 30 10 IDEE CN1C[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1358079018 BJXIKAPEMJVBLX-QGZVFWFLSA-N 442.520 1.116 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](C(F)F)N1CCOCC1 1358900868 UMEYRIHOBGAIEA-XSLAGTTESA-N 441.523 1.816 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1358948683 IDRZMBQSAQFVAG-CABCVRRESA-N 425.555 1.553 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358965298 RVDCHBFYSXDODE-RXVVDRJESA-N 431.562 1.298 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC[C@@H]2C)CC1 1359038187 MXFZVWCTQNMZBJ-SFHVURJKSA-N 441.605 1.509 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCO2)CC1 1359041847 KHWAGPGDTNXWKL-XMSQKQJNSA-N 431.537 1.075 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)C(C)(C)C)CC1 1359044179 YIAKTCDORYAMDH-SFHVURJKSA-N 427.553 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@H]2COCCO2)CC1 1359046183 HQKNSXHIAVJKES-FQEVSTJZSA-N 438.532 1.035 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1359055788 PLMGKNKCFPBUPZ-KGLIPLIRSA-N 430.500 1.668 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359083857 SNNYPLXNCMNHOQ-KGLIPLIRSA-N 425.331 1.637 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1359282490 CRJFUHDEVRYRDX-UHFFFAOYSA-N 438.532 1.848 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359303945 GIMVPJXDZHHIPD-JPYJTQIMSA-N 441.532 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](COC(C)C)C1 1359331804 IKOAIMJVEJOWNI-QZTJIDSGSA-N 442.582 1.403 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 1439177455 PPSLSMLRVPTVFJ-JOCHJYFZSA-N 430.505 1.139 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)[C@H](C)O)cc1 1453810782 ZWPHTHGBOBYQAD-KKSFZXQISA-N 442.541 1.696 30 10 IDEE Cc1oc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N(C)C 1458004650 WYGGCQDVEKZUDU-UHFFFAOYSA-N 435.458 1.356 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)C1=O 1460602105 FKKBGCUPNPGTQG-BJKOFHAPSA-N 446.511 1.827 30 10 IDEE CN(C)C(=O)[C@@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1461455261 DVVFJKDZFRPBTJ-FZKQIMNGSA-N 439.394 1.289 30 10 IDEE C#CCN(CC(=O)NCCCCN1CCN(c2ncccn2)CC1)C(=O)OC(C)(C)C 1464958471 VNWVWWRYWUNKTF-UHFFFAOYSA-N 430.553 1.365 30 10 IDEE Cn1nccc1[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1472147211 YLSLTHBAKYVCQN-SFHVURJKSA-N 445.545 1.619 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(COCCO)CC2)n(Cc2ccccc2)c1C 1473808565 GRZUSVRQAYVQFK-UHFFFAOYSA-N 440.544 1.799 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c1 1475578745 MMFULNVTWYOHRX-RBUKOAKNSA-N 442.541 1.796 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1504887399 BXBDXHCDSQRATO-IRXDYDNUSA-N 425.555 1.711 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1507513591 ANWMIZGMBDHOGQ-SJORKVTESA-N 445.593 1.780 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507635676 YMZORPXBHBMSHI-LJQANCHMSA-N 449.621 1.896 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1507642118 GURIXVZCHACESQ-QRWLVFNGSA-N 447.586 1.511 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507653926 SXYAITBSLYICMP-DHIUTWEWSA-N 433.556 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1507660692 YEFOJIMQLKZWPK-AWEZNQCLSA-N 432.575 1.733 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507671767 PCOQCIUUTWAQKY-DQRAZIAOSA-N 429.484 1.253 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@]2(C)CCCO2)n1 1507717228 RWNKCKKVUMOCCA-QFIPXVFZSA-N 436.520 1.787 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1508148055 FPDWPECSKYUXLD-MOPGFXCFSA-N 441.529 1.361 30 10 IDEE CC1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1510318530 JWNRERSFZKRBMO-DCOQFNDQSA-N 448.549 1.085 30 10 IDEE Cc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1511775071 GWDRESIEOZAXKJ-FJHZZIEGSA-N 428.518 1.487 30 10 IDEE C[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1512535023 AKJRJOXGHTUORO-OAGGEKHMSA-N 430.534 1.671 30 10 IDEE CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1516854168 RRASPWAUEHHMJX-GOSISDBHSA-N 432.550 1.619 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1517354137 UGOAFSLEBQYQCU-UHFFFAOYSA-N 439.501 1.510 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)c2cccc(O)c2)cn1 1517367442 GCZFMUFCOQQINQ-OAQYLSRUSA-N 438.467 1.646 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1519181278 NUTXYDKNASZKMM-QFIPXVFZSA-N 426.521 1.676 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1521143261 HZANFGNHGFOADD-FQEVSTJZSA-N 433.509 1.764 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539117276 SWMGGEPAAVKFOA-SFHVURJKSA-N 429.569 1.023 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539221636 QTYJVXBDUQJVDQ-ZWKOTPCHSA-N 433.509 1.729 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@H]2CCCCS2(=O)=O)n1 1539424117 LEFXVYGXYSZKHO-LJQANCHMSA-N 446.577 1.606 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1539446488 DJAIEVDCHKKFOX-SFTDATJTSA-N 430.597 1.428 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(CC)CCC)CC1 1539476355 WYIGSXSTYIGXRF-UHFFFAOYSA-N 425.581 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1539481913 IFPWYILKNOPLQX-OAHLLOKOSA-N 426.487 1.691 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539578835 CDNAZRXXERRSHK-HIFRSBDPSA-N 446.346 1.252 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539712746 IXYYVRSAMOGNNI-HOCLYGCPSA-N 428.961 1.834 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1540071764 HTBYTAGADBQTEG-ZIAGYGMSSA-N 437.488 1.066 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2)C1 1540882443 IOCCBGFOCJIQCQ-YJBOKZPZSA-N 435.550 1.727 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)nc2OC)C1 1540889311 IZLDYPQTZMSQKC-QGZVFWFLSA-N 425.493 1.920 30 10 IDEE CCOC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1547793854 AAJRWYLBTVBDSQ-WUKNDPDISA-N 445.524 1.381 30 10 IDEE COCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555218595 QBGUPCBFAFKLHJ-INIZCTEOSA-N 425.493 1.437 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1555809594 XAADRXPZPDRQKP-LJQANCHMSA-N 442.545 1.634 30 10 IDEE CN1C(=O)N[C@](C)(c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2)C1=O 1557234612 LRBBPCCSBBYPJQ-OAQYLSRUSA-N 440.481 1.509 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COCCOC(C)C)c2)CC1 1562298157 CJNNYPQEOLUNHC-UHFFFAOYSA-N 438.550 1.245 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1564601544 NNECRFTXEDMNNE-QVUWHDNHSA-N 429.502 1.223 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2=O)C1 1565246619 FXZKRUWLZWZGFD-MSOLQXFVSA-N 439.516 1.545 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1584440369 KPPCNHGWTBEBHX-CEXWTWQISA-N 439.512 1.937 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587549800 CHRGACGFNZVPDF-QZTJIDSGSA-N 437.548 1.640 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1587581133 WKJNHGQPIYIBGL-GJZGRUSLSA-N 448.545 1.864 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1587975360 YPRXEKCQAQSPSU-SFHVURJKSA-N 449.559 1.855 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1589482097 GFMZKXGCNIIJQL-NCOADZHNSA-N 432.525 1.332 30 10 IDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1593695937 ITLMYQOMSDMYGB-UHFFFAOYSA-N 446.939 1.733 30 10 IDEE CS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1595350058 WWRWCBCFORYFDM-HNNXBMFYSA-N 430.534 1.047 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595896106 UYLYXBLNBQLCCT-MRXNPFEDSA-N 441.623 1.723 30 10 IDEE C#CC[C@]1(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1597423492 PNNNWVRKKMRRQK-XMMPIXPASA-N 448.608 1.692 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1609506730 HIKRBAUDMANSNC-BRWVUGGUSA-N 433.557 1.033 30 10 IDEE Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)n1 1612370392 VKIDGFCWCNDMOU-UHFFFAOYSA-N 438.517 1.765 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1613545808 OBFMJVXXOMLCSP-RPKKRIRMSA-N 441.536 1.712 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@]34COC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1C#N 1616430837 NVYQDRHHCPMVKB-OPAMFIHVSA-N 444.536 1.132 30 10 IDEE CCOCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1616748567 IWEDGFYKOGOKTH-MSOLQXFVSA-N 436.582 1.759 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1617575014 DCJODRDEFJPQRK-UHFFFAOYSA-N 434.508 1.083 30 10 IDEE CON(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)c1 1618705230 BLXRLMCNUZXREU-UHFFFAOYSA-N 448.526 1.959 30 10 IDEE COc1ccccc1OC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1619439318 BFMLGQRKCMCEHA-IAGOWNOFSA-N 442.520 1.869 30 10 IDEE COCCCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1619830344 WRVOOEMFRAJVDZ-CZIZESTLSA-N 425.493 1.648 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1624813993 NKLYNJAGPHQEJA-ZJUUUORDSA-N 445.261 1.812 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1633641250 UAZZEUZNZLYVFU-XZDPHFKASA-N 439.559 1.142 30 10 IDEE CC[C@H](CNS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1636941250 OCRDAQWXWIXKPD-YYHKSVKZSA-N 428.555 1.217 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)CC1 1636962020 DLJVJIQDUAUXNX-UHFFFAOYSA-N 429.521 1.781 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2CCN3C(=O)COC)cc1 1638214877 BLCXEIREUVRCSI-UHFFFAOYSA-N 427.482 1.386 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)cc1 1640325685 VCKMNPYUSADAND-UHFFFAOYSA-N 429.429 1.651 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1640980540 VPCINAYICNCTEP-SPEDKVCISA-N 446.573 1.593 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CCN(C)C 1643409290 CGAOHGJACWOLJR-HXOBKFHXSA-N 435.524 1.956 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(N4CC[C@@H](O)C4)CC3)CC2)cc1 1645891521 AWIXRLRTYJJJIO-HXUWFJFHSA-N 446.573 1.017 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1654020192 CJFICAXKVOYJQJ-HRCADAONSA-N 425.526 1.637 30 10 IDEE O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1654740737 PHBCWUKIEOMKIA-UHFFFAOYSA-N 447.292 1.661 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CC1 1658788246 OKAWKIFVTKIVLM-QGZVFWFLSA-N 430.615 1.791 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 1667832918 XRTDICYBCQWTQF-UHFFFAOYSA-N 440.485 1.363 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1680909560 LYFHEBOKJVILEH-INIZCTEOSA-N 445.582 1.787 30 10 IDEE COCCOCCN1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1682385077 RCNUBWFWEJCTJL-UHFFFAOYSA-N 429.565 1.513 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 1687122914 ISKWAJIJYKHZIP-MRXNPFEDSA-N 436.490 1.039 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690019879 TVQJXVXVMHXZOF-SFHVURJKSA-N 427.530 1.153 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1690058790 BEPURTSASMGZQH-AWEZNQCLSA-N 433.534 1.903 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1690059726 WLDWFUMEXSQAMH-LBPRGKRZSA-N 445.471 1.399 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690099536 ALUIYBROFUZMMR-UHFFFAOYSA-N 442.545 1.658 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(C(N)=O)c2)CC1 1690142218 KFLXWKPSXSLUQI-UHFFFAOYSA-N 445.527 1.581 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690161341 BHTCLMFTTIYRGR-QGZVFWFLSA-N 442.545 1.980 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690237310 XPIRSWXZDDYFPL-AQNXPRMDSA-N 446.596 1.699 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1690515415 MEQNTELHVJZFNF-GFCCVEGCSA-N 438.945 1.449 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N1CCOCC1 1690518326 FIBXPGFUDFWVMH-KRWDZBQOSA-N 448.593 1.538 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1690659082 JICBILLWMPGSNI-UHFFFAOYSA-N 439.564 1.662 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690676820 FLQMCGIBVDMDPF-UHFFFAOYSA-N 427.484 1.454 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690718954 CHMDABFENONGFS-OAHLLOKOSA-N 442.563 1.461 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690729141 HKXGDIMUICPSOJ-RBUKOAKNSA-N 448.593 1.746 30 10 IDEE CCc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694694791 UOOVMNZVDNRDMD-ZZEZOPTASA-N 429.525 1.108 30 10 IDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)CC1 1698491006 OBRCNYCBFFMJMK-MRXNPFEDSA-N 430.534 1.815 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705562803 KPNUSCSEKZAHIL-GQIGUUNPSA-N 434.518 1.013 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705565751 JZRJPPMAHUVVQO-MSOLQXFVSA-N 430.530 1.488 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566790 RDWJKHCWMREDNL-QGZVFWFLSA-N 443.577 1.236 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705567753 YYZCFAAMNQAFQQ-AZUAARDMSA-N 449.621 1.673 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(OC)CCOC2)CC1 1705650718 WWCSMDWMLICOFZ-QHCPKHFHSA-N 429.565 1.782 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1705675367 MCYRHFAZUDJRKY-FGZHOGPDSA-N 428.558 1.719 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705734170 FXUFJSNBPKXZAN-UHFFFAOYSA-N 426.525 1.890 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705819677 RMHIEHFSFPBCGK-HZPDHXFCSA-N 427.571 1.438 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705877637 CBSMSSXOHLHUCS-KNQAVFIVSA-N 446.573 1.567 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705889992 PVTHJBHZRYGPHI-FGTMMUONSA-N 429.569 1.042 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1705935335 NUOXGQFRDFPROX-UHFFFAOYSA-N 434.522 1.676 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 1705948252 MUPYWISGQCZREK-UHFFFAOYSA-N 448.637 1.868 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1[C@@H]1C[C@H]1CF 1706162241 UZSOZPFDXORBCG-ZJIFWQFVSA-N 436.488 1.846 30 10 IDEE CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706436267 CDBYIWWHWOOIRY-JLXAXMFCSA-N 441.536 1.628 30 10 IDEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1707937731 CTVHKZAICIBWRA-UHFFFAOYSA-N 448.531 1.680 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1712706190 HRPOEAPBQHODLS-UHFFFAOYSA-N 427.490 1.371 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccc(F)cc1 1722276005 GWGNWBRQNNJPDM-CVEARBPZSA-N 436.557 1.617 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccn(C)n2)c1 1722306642 DCEKSSUPKDICAJ-UHFFFAOYSA-N 446.515 1.239 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)(C)C 1722346446 QRGLFHVKFUAVEB-UHFFFAOYSA-N 446.577 1.427 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1722418842 FLKBUYDIQGJQSL-QGZVFWFLSA-N 434.504 1.471 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1722428488 GJIWPBIIYYGMJR-IBGZPJMESA-N 432.546 1.461 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722558888 BXSWNUBRBIZGEL-SPUZQDLCSA-N 425.961 1.912 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@]2(CCOC2)C1 1722693022 BKPOTRYADWFYRZ-OAQYLSRUSA-N 449.458 1.844 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722693813 AYHAYUBOZVLSLC-GOSISDBHSA-N 442.545 1.522 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722702412 JORYZBOPDJYHCV-JYYAWHABSA-N 433.509 1.613 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)N2CCSCC2)C1 1722713378 GOZSUEZGZKVFGC-MRXNPFEDSA-N 427.596 1.315 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCC(C)C)C1 1722727437 OMSZTYUJWQAMGE-HZPDHXFCSA-N 425.555 1.081 30 10 IDEE CC(C)NC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N 1723645507 FXTVGCABYHWBGY-CQSZACIVSA-N 432.554 1.501 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1729636289 CFWPJIYVKAAOPG-IVZQSRNASA-N 426.521 1.708 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C(C)C 1730298793 AMKPPVMTRJWILL-GOSISDBHSA-N 426.521 1.769 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1730690262 ZKRDQEFKKCUZCH-OAQYLSRUSA-N 439.564 1.306 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1730845811 XFCSJPGRIQNWBO-VFNWGFHPSA-N 430.484 1.786 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1740550244 IGJJCDPQIAZBTJ-APWZRJJASA-N 443.573 1.583 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCOCC1 1740635048 KTOAYXHWIOBJPG-UHFFFAOYSA-N 445.531 1.104 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1740705216 CRSDFXMSNDRVPM-KRWDZBQOSA-N 447.605 1.726 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740762877 WTDWVSGSXZZBGZ-HOSILWTGSA-N 429.443 1.978 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740769583 ZFTFKDXNVDTCAX-YLJYHZDGSA-N 441.598 1.614 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1740888162 PYCZWOAIDAHENS-SQNIBIBYSA-N 439.582 1.583 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1)C1CC1 1740909810 AFPATNROLRCIRW-VQIMIIECSA-N 425.555 1.335 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740992172 MPFTYJGWXCGNRO-OXJNMPFZSA-N 426.583 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1740993671 BSYYLSPNXWDGDK-UHFFFAOYSA-N 437.610 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740995805 XUHBYJFFUZVNFH-IAGOWNOFSA-N 439.582 1.424 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1741006185 ZXSWIRSFJQIHQW-CABCVRRESA-N 446.602 1.904 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1741018636 ULIAVJATFQHYEE-LJQANCHMSA-N 426.521 1.520 30 10 IDEE CC(C)Oc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cn1 1741735910 AWKQWDGHFDMYLG-DLBZAZTESA-N 446.533 1.139 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1746139225 YQWAVPSDVUIQLS-LJQANCHMSA-N 441.536 1.633 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1748670880 DFGSIVGPCSSISO-YOEHRIQHSA-N 437.591 1.741 30 10 IDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1748793273 CTUZUENGAZIKEQ-UHFFFAOYSA-N 425.514 1.816 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1748888118 OBKCHPZKHNQKOY-INIZCTEOSA-N 428.537 1.995 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1749044136 NXTFSJYQMZFGHA-UHFFFAOYSA-N 444.527 1.841 30 10 IDEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1749633564 IMFGVPOMLDNJCS-UHFFFAOYSA-N 427.534 1.684 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749717089 GQPMOXCNQIPREV-APWZRJJASA-N 438.575 1.261 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)n(C)c1=O 1760171644 GCWNAPGNAFFZKF-UHFFFAOYSA-N 432.532 1.577 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1760174689 GZNXALSUQMSVBY-HUUCEWRRSA-N 429.612 1.458 30 10 IDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1760180926 NCJPUBZVMZSEFK-RBUKOAKNSA-N 443.573 1.583 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760187833 YDKULMSWHOWTAT-OAHLLOKOSA-N 449.543 1.988 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1760240899 HJFFZTNUNLXQEX-QGZVFWFLSA-N 433.509 1.443 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)on1 1760249544 NOGVFJUCMKPTGL-UHFFFAOYSA-N 436.520 1.883 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760273082 HUHFZRWPZAIQPY-IBGZPJMESA-N 445.637 1.097 30 10 IDEE C=C(Br)Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314087 IVRQBPPPUYJFNA-SUMWQHHRSA-N 428.331 1.539 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(CCOC)no1 1760322644 VSKARNQKNSEHJO-FCEWJHQRSA-N 432.525 1.972 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1760514744 MHFWYENGPXUWGI-KRWDZBQOSA-N 440.548 1.892 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760516188 XNRYXDDABVTRGX-INIZCTEOSA-N 437.953 1.914 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCOCC2)C1 1760534087 RJAUCRWEYSYZEL-SFHVURJKSA-N 433.553 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1760554498 FGYTVDVQAMXOKD-UHFFFAOYSA-N 433.582 1.502 30 10 IDEE CC(C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760925511 FLGXPNZSHMNESS-CZIZESTLSA-N 441.536 1.377 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCOCC(F)F 1763045030 ZUFQWWVMGNMEDQ-AWEZNQCLSA-N 443.462 1.932 30 10 IDEE COCCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1769913047 IEWKNGCRCMTXQE-QBEKEKFNSA-N 445.568 1.160 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1Cc1ccc(C#N)o1 1771221007 LMKCFNQFAXXDRZ-VLIAUNLRSA-N 430.465 1.546 30 10 IDEE Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCC#CCN3CCOCC3)cc2)c1 1850241923 JQZVLOHYEDMSII-UHFFFAOYSA-N 427.526 1.861 30 10 IDEE COc1cnc(C(F)(F)F)nc1N1CCN(C(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1852023641 KRMIZYHUKQCTMH-UHFFFAOYSA-N 449.389 1.996 30 10 IDEE CN(C)C(=O)CCc1ccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1852534930 KAVFKEMNIISYRH-UHFFFAOYSA-N 435.528 1.953 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC(C)C)CC3)CC2=O)CC1=O 1855618209 KUKVEDUPGNAVOO-QZTJIDSGSA-N 439.578 1.094 30 10 IDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)[C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 1855747463 RLOXFGVPTCQFSO-PMACEKPBSA-N 429.542 1.580 30 10 IDEE C[C@@H]1CN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCN1S(C)(=O)=O 1856940809 GRTSITJOBGGBIY-CXAGYDPISA-N 438.937 1.113 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@@H]2CCCCO2)CC1 1857287714 LATGJCNVDCOUTR-IBGZPJMESA-N 431.514 1.986 30 10 IDEE COc1ccc(C(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)cc1N1CCN(C)CC1 1867224580 UUNPXHVPOJOUCZ-LJQANCHMSA-N 437.500 1.048 30 10 IDEE CN(C)CC#CC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1891107556 HDSOHASSWKYVFG-UHFFFAOYSA-N 442.379 1.531 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1984874472 OOGNVXOMSYJOQL-KGLIPLIRSA-N 427.498 1.777 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1993341235 CQFQDSAHPPWIFL-GJZGRUSLSA-N 426.514 1.624 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCOC1 2124539200 RWOWMOWXHNBBQV-NRFANRHFSA-N 448.329 1.788 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2223258729 XYKQOLKMPMWHHT-XHSDSOJGSA-N 440.346 1.412 30 10 IDEE C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247906555 ZWQCQNWMKIHYNL-OAHLLOKOSA-N 435.355 1.291 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)n1 2255607907 FKQQOWHYVWOPIX-CYBMUJFWSA-N 435.334 1.147 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255628831 NPYBOIVRHHSVPS-CYBMUJFWSA-N 438.334 1.009 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255631208 VPBAHMNZVCCRIJ-UHFFFAOYSA-N 438.334 1.058 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)ns2)OC1(C)C 2255635939 NLWMSRRZCKMTJB-NSHDSACASA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255646001 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CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2267602073 GPEUJSSMLVTYPO-BPUTZDHNSA-N 444.341 1.904 30 10 IDEE CC[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267603947 BSQSCGXNWLUPCM-UONOGXRCSA-N 449.361 1.632 30 10 IDEE COC(=O)[C@H](CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2268629077 QRUMIIIYMMOPRM-AWEZNQCLSA-N 449.313 1.776 30 10 IDEE Cc1nc(NC(=O)COC2CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268655198 IZYIIOKLUNZMOY-UHFFFAOYSA-N 448.329 1.659 30 10 IDEE COCC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312406 WIRSCHXPNLXBOD-JTQLQIEISA-N 425.765 1.376 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2319723799 GUBIECPNSWDUBF-OAHLLOKOSA-N 437.346 1.760 30 10 IDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)CCS(C)(=O)=O)OC1(C)C 2369959902 MRNZBSQPSYSESF-UHFFFAOYSA-N 443.805 1.165 30 10 IDEE C=CCn1c(SCC(=O)N2CCCC2)nc2cc(C(=O)N3CCOCC3)ccc2c1=O 20645641 AUCNULHEZNVFQK-UHFFFAOYSA-N 442.541 1.769 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 111010248 DAZSQWHHZKCLEJ-NRFANRHFSA-N 447.605 1.843 30 10 IDEE C#CCn1c(=NC(=O)/C=C\c2ccc3c(c2)OCO3)sc2cc(S(N)(=O)=O)ccc21 254573551 SIZNFSXVUQGLGZ-IVMKHANLSA-N 441.490 1.853 30 10 IDEE C=CCN1C(=NC(=O)c2cc(OC)c(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@H]21 254840107 DCMQEJLSFPIAEW-IUODEOHRSA-N 426.516 1.609 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CCC(=O)Nc1sc2c(c1C#N)CCC2 441190908 CQDRGXHGEQXLIN-KNCCTNLNSA-N 431.514 1.862 30 10 IDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 445693572 UYLIKXLVABDLRR-QMTHXVAHSA-N 426.296 1.230 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 489357876 CQYUKXMPYDMJDL-UHFFFAOYSA-N 441.579 1.505 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 502517114 GCAAOEHGVPGSOS-NRFANRHFSA-N 445.545 1.662 30 10 IDEE N#Cc1ccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(Cl)c1 504787616 UITPSWCBKCIJDG-UHFFFAOYSA-N 444.900 1.753 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508802114 OZTLMGOZUPYRCN-MRXNPFEDSA-N 440.548 1.937 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 522534185 WWYYGRWQFDOWCH-INIZCTEOSA-N 443.544 1.499 30 10 IDEE C=CCn1c(SCC(=O)NC[C@@H](C)S(N)(=O)=O)nnc1-c1ccc(Cl)cc1 541064261 OBYJGNJIHXEWSU-LLVKDONJSA-N 429.955 1.670 30 10 IDEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555285922 RBOPSIHBNKCOPW-UHFFFAOYSA-N 442.539 1.950 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 558502095 SSEUUBOXEIMAJA-UHFFFAOYSA-N 432.546 1.524 30 10 IDEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)s1 563735477 YALJIFYIYSHOTR-KGLIPLIRSA-N 442.549 1.862 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(CC)Cc1cn(C)nn1 578371957 HVAQIEAOLWTRCN-UHFFFAOYSA-N 449.563 1.577 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2)c1 586860311 ZIADWTZSQVDBDS-MRXNPFEDSA-N 426.448 1.726 30 10 IDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 610028556 BOCAWNJPPUXGSL-UHFFFAOYSA-N 448.476 1.601 30 10 IDEE CC(C)c1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)c1 727418247 PDXUQFPXESRSNI-UHFFFAOYSA-N 449.532 1.977 30 10 IDEE C[C@@H](CN1CCCC1=O)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143216 SANFZKDTJONQGP-FUHWJXTLSA-N 445.589 1.697 30 10 IDEE COc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1C#N 746925277 GOPLXCRERZLJGF-UHFFFAOYSA-N 435.527 1.508 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(N)ccc3Br)CC2)o1 747093887 MVTGBLJERJZOSA-UHFFFAOYSA-N 448.277 1.705 30 10 IDEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 750678269 NJRSTFDPEZMUFL-FQEVSTJZSA-N 442.472 1.872 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](O)(C(=O)O)C1 757346007 HWGSOPRTZNNKNR-OFVILXPXSA-N 448.475 1.965 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 759332996 LIVCESPOEPODAU-LSDHHAIUSA-N 427.523 1.132 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 774258013 ROZBEGHYMDRBKY-KRWDZBQOSA-N 433.578 1.473 30 10 IDEE COC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Br 775143174 ACMDLYSMLMAKSX-ZDUSSCGKSA-N 435.278 1.373 30 10 IDEE COc1ccc(CN2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c(OC)c1OC 780859545 FWIJZLLMIFLTAJ-HXUWFJFHSA-N 425.485 1.962 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(F)c(OC)c2)c1 788053628 MGBXREMOFKNISR-UHFFFAOYSA-N 432.473 1.870 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 790539500 PYCLWXRDDFMVPK-UHFFFAOYSA-N 426.514 1.607 30 10 IDEE CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)s1 796919195 TYTHGTWISJYFJW-UHFFFAOYSA-N 435.502 1.974 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2C[C@H]3COC[C@@H](C2)O3)c(C(=O)OCC)c1C 801590385 OQMZCHKCWLQFTO-OKILXGFUSA-N 438.502 1.614 30 10 IDEE C#CCCN1CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CC1 810203259 YPQPNIHHUQOGKN-CRJLIHAFSA-N 443.547 1.633 30 10 IDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ncc(Br)cn1 814351243 VHCMIKIRSXHKHY-JTQLQIEISA-N 438.307 1.545 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cscn2)c1=O 918729105 CQRYSIWRXAMTJL-UHFFFAOYSA-N 427.507 1.407 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)Cc1ccc(C#N)cc1 919930907 IVTOIYMWEMZQNC-UHFFFAOYSA-N 436.534 1.399 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(CC#N)cc2)c1 1130369587 HQTYRZBVBSTRPA-UHFFFAOYSA-N 442.541 1.770 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@](CC)(C(=O)OC)c2ccccc2)cc1 1142081573 VVOVOPCHQVTFMP-QFIPXVFZSA-N 428.510 1.849 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1148405738 CUWVTVOFYMEUHY-UHFFFAOYSA-N 442.493 1.859 30 10 IDEE COC1(OC)CC2(CN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C(C)C)C1 1163812385 GSSQXTHIZZVDIB-MAUKXSAKSA-N 435.546 1.861 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3sc(Br)cc3s2)CC1 1175515011 NQCNPUDWDZNSRI-UHFFFAOYSA-N 448.389 1.951 30 10 IDEE CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1177018865 VSDVRDUAARQOQC-UHFFFAOYSA-N 431.308 1.910 30 10 IDEE C#CCN1CCN(C(=O)CN2CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1196185684 DEBHJNSDSJEAAD-IAGOWNOFSA-N 446.514 1.789 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1214151302 ZDSZMXLAFOXGFV-UHFFFAOYSA-N 440.953 1.580 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCc2ccc(C#N)s2)C1 1230243274 OUSPHCWRFWYNPS-OAHLLOKOSA-N 442.563 1.843 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1256631863 UPAYDXORSCKAQQ-QGZVFWFLSA-N 439.509 1.096 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cn2)c1 1264634649 OPUUQRQGDQMQDB-XLNRJJMWSA-N 426.462 1.122 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1286376198 HOJZYEGZYFNMOB-AWEZNQCLSA-N 443.451 1.634 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286389504 LCZIOGUPGCBHBS-IBGZPJMESA-N 442.520 1.687 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCOCC1 1286413089 HEOUIZSQIHDSIO-HXUWFJFHSA-N 448.575 1.246 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1286429607 CZEDVHRBDZIXSW-INIZCTEOSA-N 431.587 1.905 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1286448419 UQMFUVBFQMUNRX-HOTGVXAUSA-N 443.639 1.848 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOCC)CC2)CC1 1286478629 BXNYCUMZEGZTHT-SFHVURJKSA-N 435.594 1.142 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1286560300 COZVDFAXMDPTCV-SJLPKXTDSA-N 428.541 1.511 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1286970919 YKBJSOSRDXPDQA-PMPSAXMXSA-N 440.570 1.022 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1288269692 SVZXCAUHUQNIOU-ROUUACIJSA-N 430.534 1.512 30 10 IDEE CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1289436331 MSEMNCFGGGGDIM-MGPUTAFESA-N 432.502 1.841 30 10 IDEE Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290809433 SGAOBXFEOWSFGZ-VHEBQXMUSA-N 441.467 1.695 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300485806 YUJWVZDCRIIGGX-QRVBRYPASA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)n(C)c2=O)CC1 1300719830 ROKYQFRXFWHLJE-UHFFFAOYSA-N 445.527 1.361 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(N)=O)CC1 1300844300 KVTIHFVBDLZJEZ-UHFFFAOYSA-N 437.298 1.616 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1301085788 AHALFDAPQLWIIU-KSZLIROESA-N 439.582 1.319 30 10 IDEE C#CC1(O)CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1301219431 KXKDUWBVONLDFL-OAQYLSRUSA-N 442.512 1.928 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](COC(C)C)C1 1301589108 NOOPGHOTDLSVSW-MSOLQXFVSA-N 442.582 1.751 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1305146965 ATTXIMQUSLEIGL-JDAKFOBDSA-N 447.499 1.958 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@]2(CCOC2)O1 1305153756 FQIPZAXCHNNFRV-VGOFRKELSA-N 427.505 1.600 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C3)CC2)o1 1308130578 RMYURCWGITTZAR-NVXWUHKLSA-N 446.552 1.596 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(C)=O)CC1)OC 1315797482 BQPOPZBOBSKWPQ-FQEVSTJZSA-N 426.521 1.831 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1316269168 ZQMSOJHLYUTQFQ-MRXNPFEDSA-N 428.493 1.059 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2=O)cc1 1321272321 ABNVKGUBPOBRRJ-RBUKOAKNSA-N 432.480 1.707 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1358920105 SFQKKAWBNLWHAW-OAHLLOKOSA-N 432.554 1.173 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nccs1 1358941771 XGZTUPHLXLWJPF-UHFFFAOYSA-N 430.559 1.964 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1359018749 ATGGDZLRWRRCSY-KRWDZBQOSA-N 445.495 1.502 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCCO)CC1 1359034152 FKIZXVDZRKPPBD-UHFFFAOYSA-N 435.532 1.902 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359047686 PHWNPUUXCOHUAS-HXUWFJFHSA-N 446.596 1.137 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359101657 QMQRRPRDJZIOAJ-JZJXAQOMSA-N 441.532 1.605 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359140521 DKMWXLXBKDBAOU-CQSZACIVSA-N 429.916 1.546 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1359301304 WHQRAIGWSWSDSU-QZTJIDSGSA-N 438.532 1.574 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359341673 DJXDKQVFHSLIFL-HNNXBMFYSA-N 444.565 1.274 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1ccc(C#N)o1 1360222912 AHKMCNLXJGGVHY-OAHLLOKOSA-N 427.509 1.670 30 10 IDEE CS(=O)(=O)[C@H]1CSCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435488983 BOVOPTVUUNRAOK-LRDDRELGSA-N 427.935 1.511 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(I)c(F)c3)C[C@H]1CS(=O)(=O)C2 1439798408 URLBQZOFJJZGGG-IINYFYTJSA-N 434.230 1.441 30 10 IDEE C=CCn1cc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)nn1 1455104995 HDAVUYGXIQGELR-IMJJTQAJSA-N 432.481 1.119 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)CC1(C#N)CCOCC1 1459590644 HPPDFSGQKBJTOX-IAGOWNOFSA-N 425.526 1.542 30 10 IDEE CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1500876962 FRKRJOINGGXKKA-INIZCTEOSA-N 431.566 1.492 30 10 IDEE CCN(CC)CCOCCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1501964803 GBOWMZSUFJSYOJ-UHFFFAOYSA-N 429.573 1.185 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1504610530 CIAKTSRQEGYVON-JZXOWHBKSA-N 428.468 1.428 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1505082362 QFNURQRPYLFTEF-NSHGMRRFSA-N 446.552 1.524 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1505148882 CIDOVDZLDQEDTL-OKXSDPAFSA-N 442.545 1.056 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1507669162 IJYYBSADESUUGO-LJQANCHMSA-N 441.557 1.875 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cccn(CC)c2=O)CC1 1507720522 LFROZBISFXFEKR-UHFFFAOYSA-N 447.499 1.838 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1507791224 JJYCHQOAXPXKFH-KURKYZTESA-N 428.541 1.831 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1507852724 CSVYKFGWCCDGIG-UKRRQHHQSA-N 443.961 1.435 30 10 IDEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507870163 FOPULDDTXDOAKH-NVXWUHKLSA-N 431.880 1.841 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)(C)C)CC1 1507884593 KDYBEYIPXORRGP-DLBZAZTESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1508071792 FMPZOHBRBIXCIE-UHFFFAOYSA-N 437.953 1.914 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508096490 AMZCYIJEGYFGEM-JOCHJYFZSA-N 432.569 1.153 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1508106288 VMGYQOSTKOUXLL-SFHVURJKSA-N 438.532 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1508136935 WNKJDPUEBRLQSS-GOSISDBHSA-N 447.561 1.075 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1508140413 NRWYACXCYOXERZ-UHFFFAOYSA-N 442.545 1.316 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1516180710 FJLBHZAANGSNKI-VQTJNVASSA-N 432.456 1.395 30 10 IDEE CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1517597257 HIEPHYYAOFRCHW-NVXWUHKLSA-N 439.524 1.033 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCCn1cnnn1 1539153838 BNFTVFYCDDPZQX-UHFFFAOYSA-N 431.298 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1539290687 KKMOKNRRMYFVQI-QGZVFWFLSA-N 440.529 1.213 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1539461293 DIJCSUZYIQNLSK-UHFFFAOYSA-N 448.531 1.074 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540874205 YCXHIOMSBMJPSH-OAQYLSRUSA-N 438.576 1.524 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540875747 WTHZYXDBCAFYOC-IRXDYDNUSA-N 443.460 1.282 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1540902808 QYYSFARPMNZBJF-QGZVFWFLSA-N 434.566 1.933 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](CC)C1 1540905486 SNGOKCKDMDIFRK-LSDHHAIUSA-N 448.636 1.113 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1540916804 HEDYZCQTONAAMQ-OWCLPIDISA-N 439.607 1.347 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540919602 DNGPDVVRYTXOHP-HNNXBMFYSA-N 446.602 2.000 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1541103640 DBFQBOXVGSOSIN-KRWDZBQOSA-N 446.515 1.880 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC(=O)N1C 1545059313 JHBJPATYNHRNOG-VQIMIIECSA-N 440.504 1.201 30 10 IDEE CCn1cccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1=O 1547627511 XQHIXSCJXGZFFX-YADHBBJMSA-N 444.511 1.991 30 10 IDEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1564530501 DGSTWRXFHCBAHQ-RDBSUJKOSA-N 435.554 1.752 30 10 IDEE CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1565700413 AIFFFVKDKOISAL-HXUWFJFHSA-N 441.557 1.745 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1570227609 NFTXXHRLXCSKHA-KRWDZBQOSA-N 428.466 1.733 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C1CCC1)C1CN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1583920592 VSTGCSHAGYTKQC-UHFFFAOYSA-N 449.508 1.694 30 10 IDEE C=CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1585491269 LPEOQFQXASAXPY-GOSISDBHSA-N 449.573 1.733 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1585656409 SZNPYEFJCNHIAN-VIZXMXCYSA-N 438.571 1.252 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCOC)C(=O)C1 1587842853 VZDPHPOUXZHLPX-UHFFFAOYSA-N 433.516 1.839 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588054318 NKABDOBDGXVLAL-ZWKOTPCHSA-N 436.578 1.758 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 1588199183 IMDQYSMDFZTZGM-UHFFFAOYSA-N 443.573 1.704 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1588266301 OBZVKIHWTCJTSX-IAGOWNOFSA-N 430.578 1.799 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2)C1 1595673600 IFXHODWOFXDMIR-HGHGUNKESA-N 449.577 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)C(C)=O)CC1 1595796557 AISRRVNLGBMDOR-KRWDZBQOSA-N 439.582 1.220 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(C)=O)CC1 1595799345 ZAXKQDMHPSCPNP-KRWDZBQOSA-N 425.555 1.179 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@](C)(C#N)C1 1617398411 IFXKCXZMVHGTBK-OAQYLSRUSA-N 446.577 1.947 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1620020444 YEAZWWWBZFWLRE-LJUVRZIDSA-N 436.582 1.090 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CN1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2 1620635120 DEXYINXMRXFBTF-XGHQBKJUSA-N 439.578 1.663 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CC1 1623185263 VUGKVLHNGVXQOB-UHFFFAOYSA-N 436.925 1.202 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1cc(Br)cc(I)c1 1624906776 STDVJFMTUHTUQS-VIFPVBQESA-N 425.020 1.774 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1)C(=O)OC 1626208863 YGFXROUSNLBFCZ-QGZVFWFLSA-N 426.425 1.858 30 10 IDEE C=CC1(CC(=O)N[C@H](C(=O)OCC)[C@H](O)c2ccncc2)CN(C(=O)OC(C)(C)C)C1 1631259680 ZVHFWFKWHBQIDG-ZWKOTPCHSA-N 433.505 1.976 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2SCc2c(C)noc2C)CC1 1632961323 VVCIIRADGQCKOK-UHFFFAOYSA-N 449.558 1.204 30 10 IDEE CC(C)(C)OC(=O)c1ccccc1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637347342 NBXDEAZYJKTBHM-UHFFFAOYSA-N 425.445 1.542 30 10 IDEE C#CC[C@]1(C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1638204159 JTEXTVKCRIQFSF-OAQYLSRUSA-N 430.509 1.115 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)C2)c(=O)nc1O 1640637229 WFJUKQABBQAEHN-UHFFFAOYSA-N 430.346 1.722 30 10 IDEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1 1641505978 CJOILTXORURIQH-HIFRSBDPSA-N 432.468 1.710 30 10 IDEE Cc1ccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C 1653070221 VWDUCGITJGVOHB-OXJNMPFZSA-N 430.555 1.978 30 10 IDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1653628368 FGWXPRHRZJERGJ-CVEARBPZSA-N 429.926 1.233 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 1655280339 GMDVVTTYLWWMRV-VWLOTQADSA-N 447.539 1.728 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1672281738 GWTGNBSZAWKEJT-YOEHRIQHSA-N 426.495 1.496 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC#C[C@@H]2CCCCO2)C1 1684029121 GXELLDQFOQKSGX-IRXDYDNUSA-N 443.566 1.282 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690122399 PTKZATOSJWDNIY-QGZVFWFLSA-N 426.487 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCC=C)CC1 1690139410 LHWXHKBWXDXTGX-UHFFFAOYSA-N 446.511 1.959 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1690484617 AGDRSSYRMOIFOI-ZDUSSCGKSA-N 429.497 1.639 30 10 IDEE C=CCn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690653457 SGCMXZRUHFIFJS-HSZRJFAPSA-N 448.612 1.885 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cscn2)CC1 1690722841 XMRUXGGHRCBUTH-UHFFFAOYSA-N 447.590 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc21 1690724373 NKEQNENQPRGARG-MRXNPFEDSA-N 436.559 1.475 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1698317958 RVBGTWJHLDSHJR-RBUKOAKNSA-N 444.561 1.904 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705615175 KBBFXNQKJXELIL-KRWDZBQOSA-N 431.562 1.619 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1705706147 QHTJYROJCOIYJF-MMOPVJDHSA-N 430.553 1.439 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1705747182 HJHGEBHDGVCOOU-UONOGXRCSA-N 441.941 1.917 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705828349 KTLJDBBSARCGBE-NRFANRHFSA-N 427.509 1.680 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705902971 NTLZOIHNQWDWDV-NSHGMRRFSA-N 446.596 1.410 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)OC 1712160874 GBZGKVQNOYNHOF-XMSQKQJNSA-N 440.504 1.249 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1712703294 XCTLXGZKGONPEG-KRWDZBQOSA-N 444.561 1.715 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2CCN(CCN(C)C)CC2)CC1 1722436155 YEQLXDGXEDIOFZ-UHFFFAOYSA-N 435.620 1.974 30 10 IDEE CC(C)(O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1723033960 MTKBAIQNODPXPP-WMZOPIPTSA-N 445.545 1.185 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1723589752 ARPNVJIUHSYRCQ-SUMWQHHRSA-N 431.438 1.742 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1723777940 BXQXAAXLKAYWTL-RHSMWYFYSA-N 440.533 1.752 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1723882933 GOPIQICNCFHCFW-CQSZACIVSA-N 430.534 1.212 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1728903102 AVVNQUKEJYJJER-VGSWGCGISA-N 443.504 1.790 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1729397576 XHLMOXCLULQAPP-NQIIRXRSSA-N 445.545 1.494 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1740551521 UDFZNENFKBVNOE-HOTGVXAUSA-N 449.515 1.547 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC 1740602168 HFWPJHIGLGPDPW-UHFFFAOYSA-N 442.339 1.335 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740622604 ZSGLSJIICOYEIK-IERDGZPVSA-N 443.529 1.411 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1740697292 YWJNCKYXBUVBPC-PMACEKPBSA-N 442.587 1.578 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)COC)CC1 1740756075 FMTLABXFPIHOHF-YLJYHZDGSA-N 428.537 1.560 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1740951143 QIAPYMMDYJEMEU-IAGOWNOFSA-N 430.553 1.600 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740979736 KYAZEICANFFNSE-IAGOWNOFSA-N 440.566 1.241 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1740993815 CWSXUVNUDPDYNQ-KRWDZBQOSA-N 448.545 1.766 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1740994633 QSJWLCGAUIQKNF-UHFFFAOYSA-N 434.566 1.450 30 10 IDEE CC(C)Cc1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741479933 SZOKBFMQMXPSIV-QZQOTICOSA-N 427.553 1.535 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC[C@H](O)C1 1741662218 AYNWTKWMQHIBCV-YOEHRIQHSA-N 439.520 1.502 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1741795739 BGQMANLRMSZBLW-LSDHHAIUSA-N 443.474 1.516 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1ccco1 1744035911 GUYPLRZERCYFLH-UHFFFAOYSA-N 427.509 1.959 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1748751162 CUWQXWWZUZKUST-GOSISDBHSA-N 439.545 1.187 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C1CCC1 1748784951 WEOXRUOJPRTBCT-UHFFFAOYSA-N 443.577 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1748843076 ZQQCNGCSGKEPCY-UHFFFAOYSA-N 436.541 1.380 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1748971188 GORUDMNROWPGGE-JOCHJYFZSA-N 444.967 1.733 30 10 IDEE COCCOC1(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1750032757 LJWVIOWVRVSBRO-OAQYLSRUSA-N 444.511 1.918 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1750058984 ACSGCKUHBOWZTJ-MJGOQNOKSA-N 445.545 1.493 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1751193114 JIMXBBVZOAKWPY-MAUKXSAKSA-N 432.550 1.823 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2ccn(C)n2)c1 1760128268 DBBYRTVFPITSGA-SFHVURJKSA-N 433.516 1.814 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760182784 MCVVPJCKQWUVLH-KUNJGFBQSA-N 428.624 1.750 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760189876 QSIDWVJSKYHVBZ-AWEZNQCLSA-N 429.531 1.175 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1760194330 GIMJDMIYXPKSBO-SJLPKXTDSA-N 426.546 1.476 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1760259368 LEJOXOJWBBTWPL-XUVXKRRUSA-N 448.637 1.056 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[S@@](=O)CC)CC1 1760259619 DNZDBSIUWRVZMA-HKBQPEDESA-N 437.573 1.655 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1760259710 GFANOABRVNORDW-GOSISDBHSA-N 437.548 1.605 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCS(=O)(=O)c2ccccc2)CC1 1760270251 MRYPRGWSXBFYLG-UHFFFAOYSA-N 443.573 1.670 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCS(C)(=O)=O 1760372399 IBXUTOBADUDCTQ-UHFFFAOYSA-N 446.986 1.472 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760524261 TYMUADFTEGJGRS-UXHICEINSA-N 445.612 1.079 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2CCCO2)CC1 1760553757 HUGIXOILWQQVTC-SFHVURJKSA-N 432.550 1.731 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1764764810 FGJOLHKRYRKFEB-KRWDZBQOSA-N 430.534 1.355 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1765436200 CUQAOTPPXIOWQC-RTWAWAEBSA-N 437.548 1.642 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1766928213 IDBZQMFEOHQBJE-LJQANCHMSA-N 428.585 1.243 30 10 IDEE CNC(=O)CCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1769293967 OYAPAKHUAFYBNY-OSCRUYLVSA-N 445.524 1.009 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(N)=O)cc1 1769993809 CUFIDQZDLOUDHQ-VLIAUNLRSA-N 431.472 1.983 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770730661 BZANLXAEXILZPX-IVFAQJDTSA-N 441.492 1.899 30 10 IDEE N#CCC(=O)NCCOC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 1851114467 HNGNIWSFOMUDOA-UHFFFAOYSA-N 433.468 1.610 30 10 IDEE N#CCCN1CCN(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)CC1 1852649238 FLFMDPUMCHYLFD-UHFFFAOYSA-N 447.948 1.988 30 10 IDEE COc1ccc(Br)c(S(=O)(=O)NC(=NOCc2cn(C)nn2)C2CC2)c1 1853530447 PMPGZDVZDCHNIJ-UHFFFAOYSA-N 444.311 1.805 30 10 IDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)N1CC[C@H](N2CCC(C#N)CC2)C1=O 1857294283 OTPLXYSKHONEEH-LSDHHAIUSA-N 426.464 1.994 30 10 IDEE COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCO)cc1O 1862574088 FJAGOGDUFMDWDP-IBGZPJMESA-N 429.425 1.989 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1867437093 ASHQAFFSLWRKET-VQTJNVASSA-N 448.479 1.471 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(C(C)=O)CC1)n2CCCOC 1873559430 VKXRPZSRTHRNPQ-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)CC1 1890944068 SRROXRYOYOMRFB-CHWSQXEVSA-N 425.470 1.222 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)CC1 1891110164 FWUASPDUODTYCZ-UHFFFAOYSA-N 444.532 1.622 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc21 1891898908 ALPAULKQUJODGW-AWEZNQCLSA-N 428.532 1.553 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1)NC(=O)OC(C)(C)C 1901983558 MNJVEYFXQZGVNH-XCLFUZPHSA-N 425.482 1.483 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2022828536 XYERHRIQYQWTAN-UONOGXRCSA-N 442.488 1.278 30 10 IDEE Cc1ccc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255677269 FNJGZYNBTYNRGX-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1NC(=O)C(F)(F)F 2255712359 MJTPVEYRRPMYDN-BXUZGUMPSA-N 429.248 1.843 30 10 IDEE CCn1cc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255814867 FOKNPPNJQHPKNM-UHFFFAOYSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2255818020 FCUKKUHZRCSDMJ-UHFFFAOYSA-N 437.277 1.801 30 10 IDEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)C#CB1OC(C)(C)C(C)(C)O1 2255859482 RLDMTNGEHFWSGD-INMHGKMJSA-N 438.330 1.387 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256938139 QORAPNPZLLZWHR-HNNXBMFYSA-N 445.350 1.757 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267143874 OCIVNONGIKKFKH-RTBURBONSA-N 438.337 1.434 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267516229 ATIHCHFDDBUPDG-SQWLQELKSA-N 446.357 1.765 30 10 IDEE Cc1nc(NC(=O)[C@@H]2COCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268613329 ROMVIPCJGJAFTL-HNNXBMFYSA-N 448.329 1.659 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535571 ZTFJWCOFMLRTQZ-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2317163300 WYCVYIGRDTTWOM-UHFFFAOYSA-N 429.326 1.933 30 10 IDEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1cccn1-c1ncccn1)CC2 72144324 NVGRQACRUMGECU-GOSISDBHSA-N 425.489 1.741 30 10 IDEE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#Cc1ccc(N2CCNC2=O)cc1 96350948 GBLNPIIGRGMQHH-QGZVFWFLSA-N 449.536 1.466 30 10 IDEE COc1ccnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1 409563159 VPDDIMJXCHPVFD-UHFFFAOYSA-N 427.408 1.887 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 463081791 FZWSKKAHGKYYMY-WZONZLPQSA-N 429.517 1.834 30 10 IDEE COc1cccc(N2CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 481540286 JRRTWSPSPYBNIX-WMZOPIPTSA-N 442.541 1.876 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 488922655 YIGODXUIMASFFF-UHFFFAOYSA-N 438.294 1.336 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)c(F)c1 501878017 BHGWSBQZKIGCBZ-UHFFFAOYSA-N 428.489 1.674 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](C#N)C3CC3)CC2)c1 505981110 IJPIRJZBTBAEPS-SFHVURJKSA-N 432.546 1.335 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)c1 511083909 YAXWJIFIDXMMKR-UHFFFAOYSA-N 426.501 1.861 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCCO1 514645424 LMPKQKYWPOVQBK-MRXNPFEDSA-N 429.929 1.547 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1C[C@H]1CCCO1 514658628 NKGPLZTYXGTHHQ-CQSZACIVSA-N 437.443 1.357 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C[C@H]1CCCO1 515165348 KMGFEBCXXRWNHE-CQSZACIVSA-N 448.342 1.100 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 522385188 NVXCBVWPVBLYMC-UHFFFAOYSA-N 429.542 1.343 30 10 IDEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1 544119928 LDZPYURISHGVCG-UHFFFAOYSA-N 448.432 1.903 30 10 IDEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 549257152 VUIJVXVKUAKMJA-QGZVFWFLSA-N 447.561 1.983 30 10 IDEE COc1ccccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cnn2C)c1=O 551924018 JVUSOFFEPALZDW-UHFFFAOYSA-N 434.521 1.822 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 552357202 MYXGBNKMYYJYAM-UHFFFAOYSA-N 448.932 1.876 30 10 IDEE CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 574330616 XSXZYCXTYNVLGT-UHFFFAOYSA-N 446.454 1.946 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 583800405 UIUMWDDLQKTYNK-QGZVFWFLSA-N 427.571 1.581 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 725746353 KHGASIMUWQYZTD-INIZCTEOSA-N 427.482 1.142 30 10 IDEE Cc1cccc(N2CCN(CCCNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1 732445160 GRKWUDGLTSEXLZ-DQRAZIAOSA-N 440.548 1.333 30 10 IDEE Cc1ccc(C(=O)NC2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)s1 732465570 HAWSOXLAIWCFBP-ZPHPHTNESA-N 431.518 1.487 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccc(F)cc1 732795669 RVDMKUVWKABFJG-UHFFFAOYSA-N 439.516 1.843 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC(=O)N2C)cc1 734966799 MZQBCVJQUAOBBM-AZUAARDMSA-N 427.482 1.732 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)c1 742245789 NZCYMEHACIBMCF-XQNSMLJCSA-N 449.533 1.549 30 10 IDEE CC(C)(CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 749387734 LIVPXKINKJQFKA-VQTJNVASSA-N 426.565 1.190 30 10 IDEE COc1ccnc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)n1 758773323 QYRUSLQAJBODTN-HUUCEWRRSA-N 431.497 1.076 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)c(C)o1 767953129 ONVXDACUIUSSGN-QGZVFWFLSA-N 429.542 1.574 30 10 IDEE CCN(CCC#N)C(=O)COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771437760 GMAWVKRYLBOYDW-OAQYLSRUSA-N 430.461 1.076 30 10 IDEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1)[C@@H]1CCS(=O)(=O)C1 774186631 LJDOWNYVHADAKK-LJQANCHMSA-N 426.498 1.666 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1 777610127 RNOMXRCXWVUKFZ-DYTRJAOYSA-N 437.547 1.907 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)c(C)n1 781655999 XWSNBDPEGCOSHG-UHFFFAOYSA-N 446.532 1.701 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 783309001 MRAWEOWEQGFDBR-UHFFFAOYSA-N 441.550 1.140 30 10 IDEE C=CC[C@]1(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790619998 JLVMGUVSDCOSJR-OAQYLSRUSA-N 443.610 1.957 30 10 IDEE COCCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802360177 YXISBGJDAGDXLJ-IBGZPJMESA-N 439.520 1.527 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)CC2)c1C#N 811389696 HTVAKFCOYKXZKZ-ZDUSSCGKSA-N 430.431 1.704 30 10 IDEE CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]2C[C@@H]2C1 815365797 KLIDSBOBJVAWLZ-IAGOWNOFSA-N 431.514 1.371 30 10 IDEE CC(C)[C@@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 916775385 UGPBDIPQGYXUNE-SFHVURJKSA-N 425.466 1.825 30 10 IDEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)cc1 1083910981 SBVQGJCPYPXPGR-UHFFFAOYSA-N 443.537 1.283 30 10 IDEE Cn1cc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)CCC2=O)cn1 1125705980 YNHGDJHMORMGLU-SFHVURJKSA-N 434.500 1.912 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)nn2)C1 1133300905 VTAAYTFONKIKMX-KRWDZBQOSA-N 435.488 1.940 30 10 IDEE COC(=O)c1ccc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1137141281 NIEZHZPEXHZPLX-UHFFFAOYSA-N 444.513 1.784 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1158573074 HHNPXYUEWLXGSP-AWEZNQCLSA-N 445.501 1.140 30 10 IDEE N#Cc1cn(C2CN(C(=O)COc3ccc(Cl)cc3Br)C2)c(=O)nc1O 1159489369 CLVYIGBMQLGOSU-UHFFFAOYSA-N 439.653 1.699 30 10 IDEE C#CCN(C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@H]1CCS(=O)(=O)C1 1167959754 PQZKKJZJRQIJCP-ROUUACIJSA-N 426.579 1.915 30 10 IDEE CC(C)[C@H](NC[C@@H](O)COc1ccccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1194008101 HNCFQNVYJBGMJS-UTKZUKDTSA-N 426.521 1.108 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1195034318 URTZPGOLTZJTOF-UHFFFAOYSA-N 442.481 1.619 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](c3cc(O)nc(O)n3)C2)CC1 1195693811 ALQUUDVVFRIDHJ-HOCLYGCPSA-N 428.518 1.148 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1286279525 VYINUBGCOIVIIP-QWHCGFSZSA-N 427.477 1.703 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1286322971 IGOJYMUHRZNIAY-HZPDHXFCSA-N 427.596 1.356 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286347160 JCXXTVSQOYBGIZ-OAHLLOKOSA-N 429.550 1.319 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1286398687 ZYVWTDUQYLMQPC-QRWLVFNGSA-N 433.534 1.079 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCNS(=O)(=O)CC)CC1 1286473079 OILFIMUXJYTCBK-HXUWFJFHSA-N 444.605 1.515 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286567993 UESKRPZGYIVXGB-XKPGHWPRSA-N 433.553 1.613 30 10 IDEE C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286634808 XYNSKEUNJRVCBG-MRXNPFEDSA-N 444.923 1.373 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@H]1C 1286799056 OYRYKNBJHVPLAR-QGZVFWFLSA-N 438.532 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCCOC2)C1 1286823128 RUKWUVATCJYOET-NRFANRHFSA-N 431.562 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286823530 WAEDNAWYDTUGMD-DYESRHJHSA-N 447.561 1.249 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCc2nccn2C1 1288819540 VNXYQCQSYQTAHP-RDJZCZTQSA-N 446.581 1.477 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC)c1cc[nH]n1 1294581653 FQUFWJWSGXMILD-SFHVURJKSA-N 430.461 1.750 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1297716570 GFEXNQRJHBKPQN-UXHICEINSA-N 439.582 1.883 30 10 IDEE Cn1cc(Nc2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)cn1 1298833829 FJAQYGHENRHPBJ-UHFFFAOYSA-N 427.490 1.234 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 1299859763 CUYYKWJLOFDRBU-GXTWGEPZSA-N 446.451 1.285 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1300556680 LNEVGGMHSZCQQA-SJORKVTESA-N 447.536 1.958 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1300693464 YSNVNZAVROWGQX-OAQYLSRUSA-N 438.624 1.312 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300777890 GJXXPOPGPIQCEK-NHCUHLMSSA-N 449.577 1.716 30 10 IDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301065481 FQIOKDWEKWKQTB-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301498905 UZVVYJKKIRIJNO-UHFFFAOYSA-N 438.536 1.058 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301499948 HLKBMJQYSJVREE-FZKQIMNGSA-N 431.459 1.614 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)C(C)(C)C)C1 1301543675 OLTKVMLDCHNUPS-VGSWGCGISA-N 435.569 1.874 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301727478 DDEDNDIPYHAPQK-WZONZLPQSA-N 440.548 1.779 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1303474487 BETHBDUXLZRLIK-OXQOHEQNSA-N 439.582 1.882 30 10 IDEE C[C@@H]1N(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1305246445 YUSALTFOLKFHAJ-VFAFWLKOSA-N 444.536 1.702 30 10 IDEE C#CCCN(CCOC)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1307956471 UQBUMZZHDZUVHX-QZTJIDSGSA-N 437.562 1.395 30 10 IDEE Cn1nccc1CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1308162286 WLHYZFHSMJSNCD-IBGZPJMESA-N 427.578 1.008 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1309761057 KBJUCPAEZJIDTB-ZIAGYGMSSA-N 440.946 1.616 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCCCC1 1309777548 FVRYPCFRPBFJGM-UHFFFAOYSA-N 440.591 1.390 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 1310189633 QBELALIGMWQQQC-UHFFFAOYSA-N 439.497 1.968 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3CC)CC2)C1 1313280956 BXCTWXNTHNWSGB-CTNGQTDRSA-N 426.561 1.968 30 10 IDEE CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314553967 ZQHBJOZCDRNZPF-LJQANCHMSA-N 449.625 1.517 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1358876352 HZKWQKZVHWTRNM-BHYGNILZSA-N 430.505 1.969 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1cccc(O)c1 1358946670 DSCOYYDJEFLRPA-UHFFFAOYSA-N 436.472 1.601 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@]2(C)CN(C)C2=O)n1 1359027585 OQOAILYWXKGRNG-JOCHJYFZSA-N 436.520 1.234 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1359044647 LCZLGINKERFGQK-WOJBJXKFSA-N 428.581 1.478 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359055496 FXWSPTHROOBDKV-INIZCTEOSA-N 444.521 1.542 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1359064464 SYWNOGJVDUJDMM-YLJYHZDGSA-N 433.582 1.784 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359150590 BRJFKNXWGBAVKT-GFCCVEGCSA-N 434.909 1.468 30 10 IDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1359223149 BTTYSGPDKBPDKP-UHFFFAOYSA-N 429.481 1.907 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1359476429 DPWCEQJACDCBFP-OAHLLOKOSA-N 427.484 1.565 30 10 IDEE CC(C)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359725032 YUSMJEJKWPMOCI-FYPAYUBKSA-N 430.509 1.312 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)C1 1360034728 HCULTOBIUAKCTE-FQEVSTJZSA-N 442.589 1.742 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCCC1(C)C 1360677492 DGJNJHLEHCJIML-YWZLYKJASA-N 438.598 1.960 30 10 IDEE N#C[C@]12CN(C(=O)c3c(F)ccc(S(=O)(=O)CC4CC4)c3F)C[C@H]1CS(=O)(=O)C2 1439796857 PCPSLBUTXIXZKN-KPZWWZAWSA-N 444.481 1.159 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CO)CC1OCCO1 1455322406 DBEIESDHMTUWTK-GFCCVEGCSA-N 429.267 1.338 30 10 IDEE C#Cc1ccc(S(=O)(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1464487273 NUBDWIUDPKEDAM-QGZVFWFLSA-N 442.559 1.370 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCN(c2ccccc2OC)C1)c1cc[nH]n1 1464708485 NKEOZZXQWLQSOY-OAHLLOKOSA-N 429.477 1.345 30 10 IDEE CN1CC[C@@](Cc2ccccc2)(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1467707539 PUMQVBLMCXGINL-PXDATVDWSA-N 430.508 1.867 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](CS(C)(=O)=O)C3)C2)C1 1468357902 UEGREQLWCQZLEQ-ZZPBVIFJSA-N 425.551 1.666 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1S(=O)(=O)NCC#N 1468526622 PFLDKHLVDQNLAD-RXVVDRJESA-N 431.489 1.737 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)[C@@H](C)O)cc1 1470623973 RBYJWDIVXUGDEV-QRWLVFNGSA-N 428.514 1.217 30 10 IDEE Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)c1 1472191560 GXMRUUXNCDRTDN-XGHQBKJUSA-N 430.530 1.636 30 10 IDEE Cn1nccc1[C@H](O)C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1478419872 GKBUTEYNBYYNHC-TZIWHRDSSA-N 436.516 1.942 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1502375629 MKBIMWHLMXAQHP-HSZRJFAPSA-N 435.532 1.695 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1504824244 UQWNELHSDTVAMR-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1505120332 BHNKRRPHPNEGTL-SFHVURJKSA-N 445.545 1.657 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1507533602 LUIZIPXFYPZOMX-ZVDOUQERSA-N 435.576 1.898 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1507535041 WYKIMFLCRNFZOV-OAHLLOKOSA-N 442.545 1.568 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCN1CCN(C(C)=O)CC1 1507604973 OVMNFHMOGFXSKU-UHFFFAOYSA-N 445.365 1.941 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC=C 1507616294 IGEBHGQSKVYQBU-IBGZPJMESA-N 445.545 1.294 30 10 IDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCC)[C@@H]1CCS(=O)(=O)C1 1507630849 ITRGIJFQRUJZBS-CQSZACIVSA-N 426.502 1.631 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507633887 VKMANEHCRAQPMQ-ROUUACIJSA-N 430.530 1.466 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1507634061 IPZGFSITQBZVIH-LJQANCHMSA-N 447.605 1.650 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507635179 QCSMFAFKAWPJGA-VQTJNVASSA-N 442.589 1.375 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507636083 YMGQZWCWWUJCBE-SFHVURJKSA-N 434.587 1.984 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1507690376 RRXQONRNQANBFT-SFHVURJKSA-N 435.525 1.452 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCO2)CC1 1507740934 HUJBPIQAGPJHOH-ZCNNSNEGSA-N 445.564 1.537 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507808364 YGSCUTFETFDOAN-QUCCMNQESA-N 446.577 1.327 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1508079862 FRMXCTNALSAJGE-KRWDZBQOSA-N 448.531 1.761 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508084919 QLRUABREIIXVEN-UHFFFAOYSA-N 440.552 1.150 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1508136940 WUHHVJXZDDMTER-UHFFFAOYSA-N 447.561 1.892 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCO[C@@H]3CCOC3)CC2)c1C#N 1511663342 FLFGZBRNCSETIF-GOSISDBHSA-N 442.568 1.837 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCC(F)F)CCOC1 1516214434 NPWOGBVIEUICFX-OXJNMPFZSA-N 440.495 1.388 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1517551365 CWNKYYUBACADII-UHFFFAOYSA-N 445.474 1.551 30 10 IDEE COC(=O)c1ccc(C)c2c1N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1531642035 XFXPSYXAZPUAPN-UHFFFAOYSA-N 427.482 1.800 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1539011440 BSIZEQKDFOGALO-XHSDSOJGSA-N 443.639 1.847 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1539124606 HAGAOAUILOOSDY-IRXDYDNUSA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1539239714 PQOJFACRJYBMNH-HNNXBMFYSA-N 431.518 1.027 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C2CC2)CC1 1539434223 DGOJGVVDJTZYJH-UHFFFAOYSA-N 444.486 1.828 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)C(=O)C1 1539615525 JQCBFAMMYKWKBT-UZLBHIALSA-N 444.580 1.989 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1539751140 HHNADGBNAVVFBX-RCCFBDPRSA-N 425.599 1.692 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1539968145 WZEVILJKPGHLKS-ZWKOTPCHSA-N 440.614 1.498 30 10 IDEE COc1ccc([C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)N2CCCCC2)cc1 1540426047 GRQHZISCYOUCLX-LJQANCHMSA-N 425.489 1.563 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540872319 KQHSEHKRZLSOBH-OAQYLSRUSA-N 444.923 1.855 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1540875394 KRCZXBMPNMXSDT-DLBZAZTESA-N 448.568 1.856 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1541263960 AFNHQIJWTNTYNG-MRXNPFEDSA-N 439.520 1.768 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)cc1 1542161522 GLNCNCYACNHTPU-JBBCBPGOSA-N 446.533 1.819 30 10 IDEE CCS(=O)(=O)NCCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1542521879 IQYCKOCYVGUXQT-UHFFFAOYSA-N 429.340 1.203 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCSCCCO 1544576142 KGWMKKFVJAHQFM-MRXNPFEDSA-N 444.561 1.511 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCS(=O)(=O)c2ccccc2)cn1 1554329192 BHIJHHBSGOYLNH-FQEVSTJZSA-N 443.508 1.985 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1555205757 ACGXRIFWPXLVPM-UHFFFAOYSA-N 449.559 1.810 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(F)(F)CC1 1556023112 STCDZKZFVUMICA-BMRADRMJSA-N 449.462 1.276 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)CC1 1562432767 DSSWLIMOOZNRJV-UHFFFAOYSA-N 436.534 1.188 30 10 IDEE C=C(C)C[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OCC 1583526334 MFRKMVTUEAGUNX-IBGZPJMESA-N 437.562 1.461 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn([C@@H](CCC)C(=O)OCC)n2)cc1 1584059847 OFANXNPWFYEJFH-KRWDZBQOSA-N 432.502 1.951 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1584881053 GCCCBGKFPGHBLN-QHCPKHFHSA-N 435.565 1.369 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1587621390 SZXYKYUQNCBNFZ-WAIKUNEKSA-N 436.516 1.674 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCOC1 1588113774 SFTONPZAPXVUNB-FQEVSTJZSA-N 445.317 1.940 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1593844662 DSBXCXKWUCRZKG-OAHLLOKOSA-N 427.900 1.636 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594661407 TXQSNBJVMSUCOY-MRXNPFEDSA-N 429.525 1.247 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1594829952 RDGFALGUTGWVFJ-GNBUJSLZSA-N 433.553 1.842 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1595555611 FCHWQRPMGNEFCD-AWEZNQCLSA-N 433.459 1.839 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 1595613341 CJMSSZOGDSGKJP-MAUKXSAKSA-N 447.561 1.712 30 10 IDEE COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1596250854 HXWZOGJLAGYICJ-ACJLOTCBSA-N 433.461 1.265 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1597372119 LZOQVWKCRBLHCK-ZJBJCVSYSA-N 445.541 1.918 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc4c([nH]3)CCCC4)CC2)cc1 1597579375 LEZAEJBCWGYUFR-UHFFFAOYSA-N 427.530 1.877 30 10 IDEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1611060118 PQKKGPSRRBXOHS-UHFFFAOYSA-N 433.534 1.779 30 10 IDEE CC[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1614249882 JNKBVSGLKPBILD-UNEBPCJRSA-N 437.504 1.406 30 10 IDEE COC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccnc1 1616290392 ALSHSBAWNPVGLW-IBGZPJMESA-N 442.497 1.384 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1619546730 CSBHAPBRNYILHY-HXUWFJFHSA-N 437.548 1.452 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@H](C)COC 1620413960 LWQIPMIVWSVMTA-QGZVFWFLSA-N 437.562 1.245 30 10 IDEE CN1CCC[C@H](N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)C1 1621790806 CXQAOHWBCHAMNN-INIZCTEOSA-N 427.368 1.721 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1626788539 AMDQLNHLHZFUNM-IFXJQAMLSA-N 449.554 1.717 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(c3ncc(Br)cn3)C2)c1 1632756750 IVGSAOKHMVOQAG-UHFFFAOYSA-N 437.319 1.943 30 10 IDEE C#CCN(C(=O)NC[C@@H]1COC2(CCOCC2)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1633609364 IBKIBMDKUDLHGU-GOSISDBHSA-N 437.537 1.953 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc(F)cc(I)c2N)CC1 1633884465 HWEWGYSJVYQKIB-UHFFFAOYSA-N 429.233 1.614 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)C1=O 1634109655 JGEPCYJWVLJXGL-QGZVFWFLSA-N 442.520 1.655 30 10 IDEE C#CCN(CC(=O)NCCCNS(=O)(=O)c1ccccc1Cl)C(=O)OC(C)(C)C 1639553488 XKSVBOKFNCWNRV-UHFFFAOYSA-N 443.953 1.995 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)ccc1F 1642082968 LDDHDHUNMIAYFD-LJQANCHMSA-N 436.509 1.609 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2sc(SC3CCCC3)nc2C)CC1 1643372631 UYUYZMIWNPGOAH-UHFFFAOYSA-N 442.632 1.641 30 10 IDEE COc1cc(CN2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc(OC)c1OC 1644715708 CODIIVCPQANESN-LJQANCHMSA-N 433.549 1.901 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)c1 1645032505 XHYPGTGCOUDZHN-KRWDZBQOSA-N 441.509 1.447 30 10 IDEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H](C)COC 1647738576 ZBRFXCYKUVSVJP-BZSNNMDCSA-N 439.578 1.946 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)[C@@](C)(CO)C3)nnc12 1651154120 AENUMSMGJPLKAH-SPLOXXLWSA-N 427.530 1.799 30 10 IDEE CN(Cc1ccccc1F)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652136945 RLPYAMZRXWKGCS-UHFFFAOYSA-N 430.436 1.021 30 10 IDEE C=CCn1ncc2ccc(NC(=O)CNS(=O)(=O)c3ccc(CNC(C)=O)s3)cc21 1652964864 URHOWJAKRQLOKZ-UHFFFAOYSA-N 447.542 1.837 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CC1 1665603858 QUOOQFNBMARSCH-UHFFFAOYSA-N 441.351 1.015 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[S@@](=O)C(C)(C)C)CC1 1690113282 FLQPHQSLHHEMDG-SFNQZPIRSA-N 425.599 1.305 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690167954 RCKYAYZNAGTABL-HNNXBMFYSA-N 439.549 1.182 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690311873 WHMXLQOGZQSZEU-GOSISDBHSA-N 432.569 1.165 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)C1 1690700199 OTRJUKDGGZOMRV-GJZGRUSLSA-N 436.538 1.150 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2cnn(C)n2)C1 1690711760 HXKSVTXTGULKSP-IBGZPJMESA-N 425.541 1.682 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1690745134 YMYYRIVTJFIITL-OAHLLOKOSA-N 439.607 1.206 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1692499402 CXNOKKHYXYQBPN-IKGGRYGDSA-N 445.547 1.501 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1692882121 ADJADCVLZOPFML-HXUWFJFHSA-N 426.456 1.842 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC(=O)N1C 1693775362 RLWXCFOLLNLFGS-PKOBYXMFSA-N 438.532 1.927 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1696501313 CPWOFUQHZITVGP-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCOCC1 1705481598 JOINDQBDPKUKHB-MRXNPFEDSA-N 445.545 1.055 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1705517360 UNFUOBYHLOFUDN-CVEARBPZSA-N 445.536 1.896 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1705533529 YHUWNZOVWTUFQT-UYAOXDASSA-N 444.557 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1705598509 KZDYIAJFICDGQB-QZTJIDSGSA-N 429.546 1.539 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1705607304 YEXOMJAKNZVNKE-QGZVFWFLSA-N 431.562 1.529 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1705609679 MONOSQWRLFHNJK-VZCXRCSSSA-N 434.456 1.660 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ncccc2F)CC1 1705647224 AUSXZFCDJJDYQX-QGZVFWFLSA-N 442.495 1.361 30 10 IDEE C=CCN(c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1705858256 ITVSPBPQCZUYCA-OAQYLSRUSA-N 432.546 1.870 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705904984 FDSHOKPOKGTFIF-FXAWDEMLSA-N 442.539 1.467 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1705905132 KPZHPVCZCRXSRT-UHFFFAOYSA-N 428.512 1.757 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705935006 DJGXGQIRFZJJCU-QGZVFWFLSA-N 431.562 1.931 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1706069299 ACEMSXFYKOHAAA-HUUCEWRRSA-N 434.566 1.760 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1709832817 YJUMPDREICBRIT-CEXWTWQISA-N 435.532 1.889 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1710875496 RETSSEVIVAMBTK-ZWKOTPCHSA-N 442.545 1.308 30 10 IDEE CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1711403686 CHWURJQGSGLPEW-HXUWFJFHSA-N 431.500 1.850 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1712876782 UPPZJPJJCWEVQJ-BXUZGUMPSA-N 425.408 1.549 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCN(CC)CC1 1722300203 XAZOTSGQTKQETN-GOSISDBHSA-N 443.621 1.755 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722320120 SVOAPJUYLAGLQJ-SFHVURJKSA-N 436.564 1.923 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367623 NABCLLGDLONHAV-UYAOXDASSA-N 449.621 1.531 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCNS(C)(=O)=O 1722657379 ZVVBGLAVPBGLIC-SFHVURJKSA-N 430.534 1.395 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722700638 OJYPZLFTRROLJS-HSZRJFAPSA-N 436.491 1.803 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1722702049 JCKCJPWXXCTWHJ-QGZVFWFLSA-N 426.496 1.836 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1723661403 OQBBRITXIWOLPA-UHFFFAOYSA-N 446.581 1.323 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1723666499 DBHLGUNNRASXNR-CRAIPNDOSA-N 448.549 1.857 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1728293343 HSPJCQPKXVDCJL-GOSISDBHSA-N 442.545 1.356 30 10 IDEE COc1cc(Cn2c(-c3cnccn3)nnc2N2CCC(C#N)CC2)ccc1OCCO 1729985623 DUGGUOOQJMRIKK-UHFFFAOYSA-N 435.488 1.903 30 10 IDEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc(OC)c1OC 1729993577 YMLBZMJISSFSOQ-IRXDYDNUSA-N 443.504 1.975 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740620168 BWBVFLMFUJPQOA-CQGGRAHPSA-N 447.586 1.268 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1740646920 LWNRAWKMLCQTHH-DEOSSOPVSA-N 443.592 1.628 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccn(CC)c1=O 1740678460 MPUVTVCKXXVWKV-UHFFFAOYSA-N 435.488 1.241 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCOCC2)CC1 1740832798 IMGIEZBLKRMRLJ-IRXDYDNUSA-N 440.614 1.259 30 10 IDEE C=CCCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1740866438 DIRGEZLMXLTDTM-FXAWDEMLSA-N 441.598 1.757 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1740875960 AVKIJGRVFCIDQD-MRXNPFEDSA-N 425.555 1.194 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)s1 1740951796 NWFNKUMWNHGFFH-ZDUSSCGKSA-N 426.568 1.197 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740955084 LIPPGPBUWQJOSJ-FQEVSTJZSA-N 435.532 1.420 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1740959730 DEYAAWSMWRNFBB-ROUUACIJSA-N 432.569 1.607 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1740996510 NXMSMEHHKMEPPL-INIZCTEOSA-N 429.550 1.950 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1747529493 HBBROHWJTHZYJJ-UHFFFAOYSA-N 446.515 1.342 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)NC 1748656282 PLMONBMJQCZPBV-LLVKDONJSA-N 444.330 1.854 30 10 IDEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1748702974 SNCZFZCKTPCWSG-QGZVFWFLSA-N 426.908 1.549 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1748717754 HRRADCPFUOJCLY-MOPGFXCFSA-N 425.489 1.545 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1748819073 JYDXMJNQOSJXEZ-SFHVURJKSA-N 447.536 1.113 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)noc2C)CC1 1748976838 BFXGOMIJASLBBG-JOCHJYFZSA-N 428.537 1.727 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1749039269 RVWUTUZBMVNJKQ-RDJZCZTQSA-N 436.559 1.718 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1749119051 MQPDDFVIKMYXNY-BBWFWOEESA-N 439.582 1.629 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1749127104 JRPKBHIEYXOXQB-YWZLYKJASA-N 444.536 1.948 30 10 IDEE C=CC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749337009 ZMCLXRUWNBBXKW-UHFFFAOYSA-N 446.515 1.401 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1749671207 ZSCBVSGKFNCDLT-MOPGFXCFSA-N 443.573 1.785 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 1749680991 VFIFXMATEKNYGR-UHFFFAOYSA-N 426.521 1.445 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1750560961 FWVYHPLRWYRRNE-SFHVURJKSA-N 436.520 1.193 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@]1(N2CCOCC2)CCSC1 1760237076 UWGQLYDRBWXJLI-QFIPXVFZSA-N 426.590 1.931 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760299580 AKYMVPMMCZLFAD-ZIAGYGMSSA-N 437.342 1.670 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760518638 CMPONVOBDIFLOT-MFEFFIJZSA-N 436.516 1.892 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1761367226 DPBWAUCQWUISPM-CQSZACIVSA-N 430.534 1.342 30 10 IDEE CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CCN1CCOC 1765302456 ZSOWAMMMLHKCPF-QGZVFWFLSA-N 441.536 1.460 30 10 IDEE CCOc1ncccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C#N)C1 1767640746 FEEVTAOVTPLTPS-QGZVFWFLSA-N 427.509 1.767 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1769994639 KVYBLMKZRADJDA-KDOFPFPSSA-N 429.518 1.269 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1770202773 WUOPZLWYUQGYOQ-WFXMLNOXSA-N 434.516 1.703 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1770747202 GZBHSEJAOGERFZ-MRXNPFEDSA-N 426.502 1.866 30 10 IDEE Cc1cccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C(C)C)c1 1849552256 PNRQBXGMZUWPJU-HXUWFJFHSA-N 441.557 1.913 30 10 IDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CC3(COC3)C2)cc1 1851600256 CPOHCKHCGGIOBH-GOSISDBHSA-N 447.463 1.585 30 10 IDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H](C(C)C)N2CCS(=O)(=O)CC2)c1C#N 1851783607 CWICTXVEXJJMJS-LJQANCHMSA-N 429.546 1.805 30 10 IDEE CN(C)c1ccnc(N(C(=O)CN2CCNS2(=O)=O)c2ccc(Cl)cc2)c1C#N 1852717931 MIGUKIRPZJFAQE-UHFFFAOYSA-N 434.909 1.487 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H](C)n2cncn2)CC1 1855573208 VQVVKFCRORDESW-OAHLLOKOSA-N 429.502 1.686 30 10 IDEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cccc4ccccc34)C2)CC1=O 1855964377 RGZYZTNHDISQSM-QGZVFWFLSA-N 426.498 1.187 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2csc(-n3cccc3)n2)C1=O 1856735833 PZIVDPLIWVJGOQ-IAGOWNOFSA-N 427.530 1.784 30 10 IDEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870564044 YSBXOHDBERZPIO-QFIPXVFZSA-N 443.931 1.911 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705515 MVPAPTFNVPSOIZ-UHFFFAOYSA-N 428.497 1.528 30 10 IDEE CCOc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874336209 AGBAKGNXYDFPDD-WPZNHYQYSA-N 430.534 1.861 30 10 IDEE N#Cc1cncc(C2=CCN(C(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)CC2)c1 1891229486 RQEIDNPDJLBNBF-GOSISDBHSA-N 437.525 1.928 30 10 IDEE C=C(CNC(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2077061004 VKOJFHMFJNPNPF-OAQYLSRUSA-N 440.346 1.943 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1cc(Br)cnc1C#N 2118087209 MMMRDGIRTOCFPC-KRWDZBQOSA-N 427.299 1.808 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br 2124709702 PZSWBCUAFNMFAW-ZDUSSCGKSA-N 446.323 1.952 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2247822539 GHEFSGGLRSSHRL-UHFFFAOYSA-N 433.261 1.501 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255645275 GMIRROCFQJCBSS-LSDHHAIUSA-N 432.330 1.951 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255874524 MBQFLKJWVYNXSI-ZFWWWQNUSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267160451 PUMMIUYNPZEGRW-MUJYYYPQSA-N 444.341 1.619 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2267530038 UFAXANVZTNDSAU-UHFFFAOYSA-N 436.365 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267875966 KLCYJBALPRWHMN-QLFBSQMISA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267877065 RAOMHRHGRYQMKU-GJZGRUSLSA-N 444.341 2.000 30 10 IDEE CCC1(C#N)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286056679 GILYPOGYQRHFSP-QGZVFWFLSA-N 437.518 1.800 30 10 IDEE CCOC(=O)[C@H](C)N1C(=O)C(=NNC(N)=S)c2cc(I)ccc21 2295064346 YFLVZNHHWGAQSI-ZETCQYMHSA-N 446.270 1.127 30 10 IDEE CC#CCN(CC(=O)NCCn1cc(I)cn1)C(=O)OC(C)(C)C 2300612679 LELLRGJPSMNGTA-UHFFFAOYSA-N 446.289 1.864 30 10 IDEE CC1(C)OB(c2ccc(CN3CC(S(C)(=O)=O)C3)cc2Br)OC1(C)C 2349814237 WCFSPPDJABQRQZ-UHFFFAOYSA-N 430.173 1.977 30 10 IDEE CC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)c1C 22694364 OZCLWTLZVYEBDN-UHFFFAOYSA-O 445.565 1.688 30 10 IDEE C=CCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 71530444 QUNYPOUWLFBCMW-UHFFFAOYSA-N 430.895 1.470 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)c1 169903904 GYCRPLKJENDLNL-VCHYOVAHSA-N 425.419 1.942 30 10 IDEE COc1cc(C=NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1O 254869355 VEVVVECBGNJWDH-UHFFFAOYSA-N 438.531 1.980 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)c1 462753697 DYLHEXAWMWIBDV-UHFFFAOYSA-N 434.493 1.452 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 477797242 NSHRSAHYNQOTEZ-IBGZPJMESA-N 433.530 1.103 30 10 IDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(Cc2nc(COC)no2)CC1 508946275 RSLVWKIQPRCOIZ-SFHVURJKSA-N 437.504 1.992 30 10 IDEE Cc1sc(=O)n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 522304006 JLKKPPQLGGQQJU-UHFFFAOYSA-N 434.543 1.322 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1cccc(C#N)c1 572155260 HNOHBORNMRVQJH-UHFFFAOYSA-N 442.541 1.823 30 10 IDEE C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1 574126774 FGOISXGOUCQDDL-KXBFYZLASA-N 426.498 1.142 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 578177184 FHZHVZADJMFNFR-IBGZPJMESA-N 442.545 1.861 30 10 IDEE C#CCN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1CCS(=O)(=O)C1 729334997 YBPZHQQBUCQYQH-CYBMUJFWSA-N 445.310 1.357 30 10 IDEE C#CCN(CC(=O)N(C)CCOc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 731212649 HKBNHQXXJRJSLB-INIZCTEOSA-N 443.363 1.409 30 10 IDEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 744627161 TYQFYUFTIUUCSP-RDJZCZTQSA-N 433.530 1.696 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)COc1ccc(CC#N)cc1 747670565 XOFGRHXSJNLIST-LJQANCHMSA-N 446.548 1.503 30 10 IDEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)c1 748063293 MTDHNVBRWDLWMZ-UHFFFAOYSA-N 447.520 1.463 30 10 IDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748775053 PCRXFLFBPGVCRT-MRXNPFEDSA-N 448.589 1.905 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 763785189 SVDSJHIIPHUWDV-FUHWJXTLSA-N 433.486 1.436 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC)c1cc[nH]n1 772329970 MTLPLEHQHWMCLY-DOTOQJQBSA-N 434.493 1.664 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774171512 PCWYJCXXOFLEQS-RTWAWAEBSA-N 432.590 1.197 30 10 IDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 778290843 YUUSINBHMKCXEJ-ZHACJKMWSA-N 434.496 1.967 30 10 IDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4cc(C)cc(C)c4)n3)c2=O)cn1 781136152 HIXAZOOBNCQZPF-UHFFFAOYSA-N 442.508 1.340 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@H]1CCCO1 782587913 DKQQDCFZBDKACJ-CQSZACIVSA-N 444.582 1.450 30 10 IDEE CSCCN=c1scc(-c2cnn(C)n2)n1N=Cc1c(Br)cnn1C 789992955 YTBDEXDFMOSUCC-UHFFFAOYSA-N 441.384 1.987 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)n1 790108667 AKCLSXWPSJABIL-IBGZPJMESA-N 448.527 1.920 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 790843103 MPKSRQYZPGPBBF-UHFFFAOYSA-N 443.444 1.678 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)n1 791747257 HRFIBVNIILTNSS-NRFANRHFSA-N 426.473 1.702 30 10 IDEE C=CCN(C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 798182703 COIOTFWXNYCBLX-SJORKVTESA-N 429.583 1.425 30 10 IDEE COCCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 812127969 IZBRUULKQHVOQT-OXJNMPFZSA-N 446.515 1.977 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 812190326 WBPNEVLESRWAPB-QVKFZJNVSA-N 434.541 1.864 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 917356813 SGWFEDUCABCNRJ-UHFFFAOYSA-N 437.500 1.170 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1126199467 DAUJMTLFSZCZKP-UHFFFAOYSA-N 432.278 1.557 30 10 IDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1137335995 KYZIWYJQNKZQJO-ZWKOTPCHSA-N 435.569 1.729 30 10 IDEE C#CC[C@@]1(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CCCN1C(=O)OC(C)(C)C 1147823784 VIQGURRSUKZCTB-PKTZIBPZSA-N 435.565 1.511 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1164155643 SFXHMEAMHMKTLA-UHFFFAOYSA-N 445.545 1.205 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1166768070 RLXNMMNTUMNIKS-DJJJIMSYSA-N 445.497 1.786 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(OC(C)C)CCOC1 1178523911 QKMWCSNPPONKJP-LAUBAEHRSA-N 437.562 1.840 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3n[nH]c(-c4ccccc4)c3Br)C2)c(=O)nc1O 1180990421 RRQGGACYMISMDW-UHFFFAOYSA-N 441.245 1.670 30 10 IDEE C=CCn1cc(CNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nn1 1196378566 NUAFDVTZXNQZJV-UHFFFAOYSA-N 440.913 1.460 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1286369811 WGIZMTBYWJGCDQ-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286376891 PQGRBDNRANKSET-YJBOKZPZSA-N 431.518 1.142 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286386180 WDDAOYUQDMGADG-DLBZAZTESA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1286392833 HNRXCFZODCWEFG-IBGZPJMESA-N 440.573 1.994 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1286400263 AJTPORWBMXBMTI-QHCPKHFHSA-N 446.515 1.416 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1286447100 JAHSFNGYJVZKBD-QGZVFWFLSA-N 433.534 1.108 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@](C)(O)c2ccccc2)CC1 1286483215 CKFXFCBVUYNBHS-DEOSSOPVSA-N 436.560 1.454 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)[C@@H](C)CC)CC1 1286495279 ZFTRDUUVKQWGFE-SBUREZEXSA-N 444.580 1.163 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1286604284 QVEPBOBYKVWSFO-GOSISDBHSA-N 429.477 1.218 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286788359 VHTRBDIQYJODAJ-GOSISDBHSA-N 440.548 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286820983 XCEBNTUNLDAZHR-GOSISDBHSA-N 439.626 1.626 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C2CC2)CCO1 1286941088 HSDFNVJMPFQOON-KKSFZXQISA-N 437.548 1.641 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(COC)CCOCC2)CCOC1 1296662451 CTIOXKGNDNQJQZ-UWJYYQICSA-N 435.525 1.102 30 10 IDEE C#CCn1cc(CNC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)cn1 1297369769 LKFPXKCJACHBBM-KRWDZBQOSA-N 427.509 2.000 30 10 IDEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1298036445 ABVBYMSHLHBWLS-JKSUJKDBSA-N 429.550 1.494 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NCc1ccccc1 1300270796 FHYZFWXYAPJTHZ-CVEARBPZSA-N 432.550 1.053 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300367855 KZIHZTGROKLXHS-UHFFFAOYSA-N 444.543 1.888 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300488659 UHWOZSMQBPMGIF-QRQLOZEOSA-N 429.546 1.518 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300491741 ILHIHMMWHHDOTL-IAGOWNOFSA-N 449.577 1.205 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300497667 BXIADFAMPAXLOR-HXUWFJFHSA-N 444.605 1.621 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC[C@@H]1C 1300665441 LOTUIMQHIMOPFE-KRWDZBQOSA-N 427.505 1.481 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1300777860 FIRYCFCFHLTXEK-JOCHJYFZSA-N 449.621 1.991 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300879525 DUQNFEGHIDCAFZ-JQHSSLGASA-N 449.581 1.178 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300880723 KIHJKMNNJVIBIP-SCTDSRPQSA-N 448.593 1.735 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301044875 OSYMIYPEAVBPPM-UHFFFAOYSA-N 448.930 1.934 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@@H](C)C1 1301484457 GZEYRGIKOPBYQF-HNNXBMFYSA-N 433.534 1.266 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(C)C)CC1 1301492653 MKQXQPNHUQNQRG-UHFFFAOYSA-N 431.928 1.600 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301589160 OGZRFFDIMJZJJB-MSOLQXFVSA-N 439.582 1.125 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1303633416 GKMFLQDCSCVTNG-HNNXBMFYSA-N 429.506 1.791 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1314805834 FCYRECYCBWEOES-WMZOPIPTSA-N 437.504 1.668 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315911140 MRKHMXCIRXVQND-MBOBHEEDSA-N 447.499 1.816 30 10 IDEE COCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1316045998 XDWYXHSLWOVVII-UHFFFAOYSA-N 435.536 1.770 30 10 IDEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1316102901 NRGBWBOKKPDEOK-GOSISDBHSA-N 426.521 1.831 30 10 IDEE C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1316501506 VGHBFOMSTLJKQJ-SKRHAUIRSA-N 437.504 1.404 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1358925114 TZEKSUALZBUBSJ-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1358962805 XOAKQJGFMNLUML-OAHLLOKOSA-N 433.559 1.274 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358967382 JJMVGYFITGLATQ-OALUTQOASA-N 437.610 1.706 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)COC)CC1 1359034592 XBFULUJGDGQZME-QGZVFWFLSA-N 445.593 1.276 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359105420 OCZYSNGAINWBEL-YZIUBNRHSA-N 433.553 1.578 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CC1 1359233840 SRZUINBEUHARHK-MUUNZHRXSA-N 437.591 1.729 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359297351 NLQZOUICCLTHNQ-QGZVFWFLSA-N 440.548 1.999 30 10 IDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1442724448 SWNYJFQYJDIREM-UHFFFAOYSA-N 439.578 1.825 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)C1 1452722179 SDPZHLKRQRSRAG-LLVKDONJSA-N 444.289 1.974 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)ncc1Br 1464922100 DZJGKDAFFUKTAP-WYMLVPIESA-N 444.083 1.863 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CNS(C)(=O)=O)s1 1471345609 RZGVZTDXZNJPJK-UHFFFAOYSA-N 443.572 1.443 30 10 IDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)CC(=O)OC(C)(C)C 1473620176 AMWKPFIVTQFDEW-UHFFFAOYSA-N 437.562 1.933 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1494183759 CYJXKSKMVDWRKX-LGRKVGDBSA-N 444.536 1.701 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](COC)OC 1499327897 BUIUXIDYIGJJHN-ZWKOTPCHSA-N 428.493 1.105 30 10 IDEE CN1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1503686380 POSXNVDVGFHFPU-SFHVURJKSA-N 429.594 1.685 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1503813208 KURHFMDNTXSPOC-LJQANCHMSA-N 426.521 1.833 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N(CCC#N)CC2CC2)c1 1503827963 CKZQCNRUBRWPKE-GOSISDBHSA-N 444.561 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507651115 CFBATHKTTWRDRO-SFHVURJKSA-N 432.450 1.600 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1507710266 DZLBPPRCHBNEHH-UXHICEINSA-N 445.589 1.569 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCCS2(=O)=O)CC1 1507722857 LUIMXJXURPKOQK-UHFFFAOYSA-N 448.980 1.389 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1508092537 QMUWQHXFDGJLMA-SFHVURJKSA-N 439.516 1.889 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098768 RLRGENIMVFFXKZ-VGOFRKELSA-N 435.569 1.872 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCN(Cc2ccccc2)CC1 1539025149 FEPUJJLFEZWRBT-NRFANRHFSA-N 449.603 1.676 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC(F)F 1539180270 YTEXCNPEGIZJPR-ZDUSSCGKSA-N 440.472 1.908 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1539220940 XFZZXXXDVUXTLR-JKSUJKDBSA-N 435.594 1.408 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)c1ccccc1 1539291748 XGRJBRYKZDXPBA-UHFFFAOYSA-N 441.557 1.743 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1539343314 JFOABBWSJQXBKU-LBPRGKRZSA-N 441.355 1.554 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccc(C)c(F)c1 1539409263 UPFJNDFGPUGLIR-UHFFFAOYSA-N 439.495 1.642 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)CC1 1539431194 PYYFIHFLECQOOO-INIZCTEOSA-N 434.541 1.139 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nnc(C(C)(C)C)s2)CC1 1539431358 UEVBOBKYFGTQKP-MRXNPFEDSA-N 447.609 1.955 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1539444027 DUAVMOYGICNQIQ-UHFFFAOYSA-N 446.502 1.926 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2cnnn2C)CC1 1539484098 CENQUPWSYHUYFK-UHFFFAOYSA-N 432.532 1.206 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C 1539539979 BRHZHZQPVKBYNX-OAQYLSRUSA-N 444.561 1.276 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1539722117 LAQNRIVOGHXMEE-QZTJIDSGSA-N 442.520 1.902 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540006179 ROCKRTBBSMIIJN-SQNIBIBYSA-N 438.598 1.250 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1540072355 KWGHHXPEUVKFLH-SNVBAGLBSA-N 444.302 1.221 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540868074 QYEGYMJNUQEFIP-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)nc1 1544279191 BSFFLFYHBIDOJO-DOTOQJQBSA-N 440.481 1.720 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC(=O)OC)C2CCOCC2)s1 1544760680 YUINACSOJYANSC-UHFFFAOYSA-N 430.548 1.326 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCc1cccc(C(N)=O)c1 1555728976 YFQSLYFBURTYKL-SNRMKQJTSA-N 426.521 1.940 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 1556761799 OJKSWJDHOXZBJK-CQSZACIVSA-N 437.584 1.506 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)CC1 1558075192 PFTZFSQAPJNARP-YPKPFQOOSA-N 431.436 1.600 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)cc1 1558859426 HXWYNAXUIMXRBM-UHFFFAOYSA-N 440.569 1.322 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(F)ccc2CS(C)(=O)=O)n1 1564221771 WTDDYVYQZCSMOP-UHFFFAOYSA-N 436.509 1.558 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@@H]1CCOC1 1587984520 DQBMPDGOURRSLJ-IBGZPJMESA-N 439.564 1.965 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1588432693 HJUFLEIVUKTELG-QGZVFWFLSA-N 426.496 1.343 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1588732484 BJDMKZNLIFGYCD-HKBQPEDESA-N 442.589 1.098 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)O)CC1 1588733107 NNGXDZHNWYXLGS-UHFFFAOYSA-N 430.940 1.388 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1594783850 KFIVMDKANBSNJY-UHFFFAOYSA-N 448.549 1.532 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC)C1 1595730713 YEQYPTHHDSURHO-IAGOWNOFSA-N 441.598 1.829 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3COC4(CCOCC4)O3)C2)C1 1597892443 HCWODMKQYPFLJJ-NHUHVJRWSA-N 435.521 1.812 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1611307748 GEYHOQLOIUHCQW-XLIONFOSSA-N 442.589 1.977 30 10 IDEE C[C@H]1CCCCN1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1612771539 WVBQUFWOLLKVEA-OALUTQOASA-N 429.569 1.784 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CC(C)(C)O 1612884897 IAEXKNLAXRWEAZ-HOTGVXAUSA-N 426.525 1.320 30 10 IDEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@H](CCN2Cc2ccc(C(F)(F)F)cc2)N1C 1616139495 XSWAIOAWCGLRKR-HBFSDRIKSA-N 436.478 1.608 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCCC2)CCO1 1618692755 FZPPITYYTICYEV-FQEVSTJZSA-N 437.548 1.644 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c(OC)c1 1619271501 IASIAMGSPFGATM-ZIAGYGMSSA-N 436.538 1.550 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1619877326 BWNRVYUHZUGJTI-WOJBJXKFSA-N 437.548 1.642 30 10 IDEE CS(=O)(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)CCC1 1620148727 BUOHIUOSHXDGBJ-UHFFFAOYSA-N 434.566 1.611 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)n(-c2ccccc2)c1C 1620598457 BBJKOCUHFDHBSX-SFHVURJKSA-N 430.530 1.386 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)cc1 1624004507 PIEKNIQRSKWIRB-UHFFFAOYSA-N 434.496 1.586 30 10 IDEE C=CCOC[C@H](NC(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)C(=O)OC 1626208821 WUHHYVRMDWLIPA-KSFYIVLOSA-N 440.537 1.779 30 10 IDEE C[C@@]1(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)NC(=O)NC1=O 1628791699 XCJGHBLUBNXYMU-ASSNKEHSSA-N 443.891 1.401 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1630703667 GRTHLTDSZNUIES-KRWDZBQOSA-N 437.905 1.534 30 10 IDEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(N)=O 1634601107 JZPSALQRLFKJFS-RTWAWAEBSA-N 437.496 1.822 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)C1 1635487408 KCYBQUWWXMGOBI-HTAPYJJXSA-N 439.903 1.793 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1635977276 VVJCGIFTVPMYMA-ALYAQQCSSA-N 428.551 1.506 30 10 IDEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1640408826 JEOGIVBABGZINI-YVGXBJCXSA-N 431.562 1.724 30 10 IDEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)C1CCOCC1 1641857663 GCLFJLQJROUTHD-DLBZAZTESA-N 440.587 1.832 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 1642414024 HOHUZTPAZLOSCG-QGZVFWFLSA-N 436.530 1.849 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccccc3)nc2C(F)F)CC1 1644284648 APXMPONYVNQMSZ-UHFFFAOYSA-N 440.497 1.973 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)Cn2nnnc2-c2ccccc2)c(=O)c1C#N 1654530639 CYYJODSPNRHUQE-UHFFFAOYSA-N 428.250 1.523 30 10 IDEE COC(=O)[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C(=O)OC 1655080039 WPUYWVJECSUVIF-HOTGVXAUSA-N 426.391 1.067 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OCC 1656399960 IVQDTQJMIJNMQZ-SNVBAGLBSA-N 437.703 1.844 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1)C(=O)OC 1669658285 VXLQBFUFRBHUDE-ZDUSSCGKSA-N 437.301 1.304 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(n2nncc2I)CC1)[C@H]1CCCO1 1671889559 IXCPDQWXXLTPIM-CHWSQXEVSA-N 429.262 1.410 30 10 IDEE C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)C1 1673972590 AMZPCWHDDUSJII-IRXDYDNUSA-N 438.532 1.798 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCc3nnc(N4CCCC4)cc3C2)C1 1681432991 AUUSGCRKTYFTPG-WMZOPIPTSA-N 441.536 1.904 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(CCc3cnccn3)CC2)C1 1681435668 YAFUBASGEMEOKS-AEFFLSMTSA-N 429.525 1.105 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](c3ncccn3)C3CC3)CC2)cc1 1687679713 JMWAYQCJMUNDHF-SFHVURJKSA-N 426.502 1.515 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1S(=O)(=O)N(C)C 1689978383 UKTONTFRPCZZOW-HKUYNNGSSA-N 447.561 1.370 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1689990167 MFHITRSGOJQSOO-NVXWUHKLSA-N 449.602 1.866 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1689992677 NTEZZRWUEDIAEG-AWEZNQCLSA-N 438.351 1.673 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1689994400 XLKKEXUMCCCRRO-NQIIRXRSSA-N 438.594 1.425 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690511133 QQBBZIVVRVTRCH-GHTZIAJQSA-N 443.596 1.889 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690512467 YSACLVXFUXLHJL-HNNXBMFYSA-N 430.475 1.790 30 10 IDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1690520920 JINHBQBMHLOPBW-MRXNPFEDSA-N 433.534 1.763 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690666293 ZFEVHZSFUIHUOT-JLTOFOAXSA-N 432.912 1.680 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CS(C)(=O)=O)CC2)C1 1690711656 FVFMRQAUPPFQOO-GOSISDBHSA-N 448.593 1.746 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1692574088 VDABUMLJBBZKHS-UHFFFAOYSA-N 441.517 1.695 30 10 IDEE CCOCc1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696318790 XFOWEBPSHRNQCH-FMQUCBEESA-N 431.541 1.262 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cn[nH]c1 1696849686 KEOHPWYRZCTTJI-CQSZACIVSA-N 431.298 1.741 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1snnc1C 1696913683 ICNKFLAETUVRAV-ZDUSSCGKSA-N 440.533 1.755 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@](C)=O)CC1 1697617624 DNBINRTXTWYYAR-JGVYIQDASA-N 431.518 1.506 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C(C)C)N1CCOCC1 1698231267 WKQHOAATHBMHSQ-FYQPLNBISA-N 434.585 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCS(C)(=O)=O 1705481038 YRMUQPJFKZQISB-LBPRGKRZSA-N 444.355 1.555 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705523612 UCONLUJTQXCPLE-HNNXBMFYSA-N 428.924 1.942 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1705551041 FHXRSPXUQNIJFG-SFHVURJKSA-N 435.525 1.371 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705659426 VYSHRFQHVQTJEJ-QGZVFWFLSA-N 429.571 1.642 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCS(C)(=O)=O 1705706171 QNIBNRVNFFMTDR-PKOBYXMFSA-N 436.582 1.602 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705869971 KNCKQMKANXSLNV-TXPKVOOTSA-N 425.555 1.405 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705906242 XUPYZBWCDWIQEL-FUHWJXTLSA-N 438.532 1.893 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705930812 WMFNDNUWNPAKPC-OALUTQOASA-N 438.642 1.609 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1706933343 CCBHSMGHHKLLFD-JOCHJYFZSA-N 442.495 1.985 30 10 IDEE CC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1708326211 WKAWFSLEYIFFJT-XMSQKQJNSA-N 425.537 1.926 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCCc1ccccc1 1709101568 AXZJFDPHXATGMX-UHFFFAOYSA-N 431.500 1.734 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CCOCC2)CCOC1 1710484880 WNKQLGYZVCUAKX-DENIHFKCSA-N 449.552 1.492 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1722295756 LUNPHYKDXVTMLZ-AZUAARDMSA-N 445.589 1.928 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)CC 1722418122 GBFKQCYUYSGRDJ-UHFFFAOYSA-N 443.508 1.453 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1722419260 VJGBBQGYWSEVNG-KRWDZBQOSA-N 434.504 1.471 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCOC2)CC1 1722566465 RXWTXRMRFORMOD-DLBZAZTESA-N 425.555 1.194 30 10 IDEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722622724 NAUFDHFAGRFPTK-HTAPYJJXSA-N 446.552 1.758 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722728479 UWYKDCOKZZIFIN-ZIAGYGMSSA-N 429.568 1.132 30 10 IDEE CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1723090358 IOASVOXQLQYMPH-QYZOEREBSA-N 435.532 1.745 30 10 IDEE CCS(=O)(=O)NCCn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)nnc1C(C)(C)C 1729227024 FKESEHUOYYIJAL-GOSISDBHSA-N 446.577 1.964 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCO[C@@H]1C 1730760321 OBQZOJRWNFUCBZ-FOIQADDNSA-N 430.465 1.760 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOCC1 1740552524 OJFLILSNZMNDEG-IBGZPJMESA-N 438.580 1.632 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740642094 JPHDADQOZQOSBB-UHFFFAOYSA-N 445.527 1.591 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1740686923 YFDCIKFHMXEHNV-SFHVURJKSA-N 430.530 1.345 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740718191 JHQQNILCTFYYMM-HNNXBMFYSA-N 427.596 1.009 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740720575 DNTXGKHDXGWJHP-FQEVSTJZSA-N 431.587 1.645 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740885953 RTCMZNNHASUYSD-GOSISDBHSA-N 429.525 1.441 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@H]1C 1740900132 MSAVXUQIQOVINN-QZTJIDSGSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 1740951100 CFLPZXFAOUXJQD-OAHLLOKOSA-N 444.511 1.964 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740958566 QPYIWDAFVGZZNR-HNNXBMFYSA-N 428.541 1.813 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)C1 1740972270 GAYBUXMVURYYKQ-MJBXVCDLSA-N 435.497 1.094 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740990479 AXANBBFALWFUGU-UHFFFAOYSA-N 445.611 1.007 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1748714394 IBQQNEWGKMNGEY-CEWLAPEOSA-N 428.581 1.574 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1748772440 OHUTYKOIKDKIMQ-INIZCTEOSA-N 446.577 1.488 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO[C@@H]1C(C)C 1748791114 OXHOYRUWSIKOJD-FGTMMUONSA-N 439.582 1.132 30 10 IDEE COc1cccc(-c2nnc(N3CC(C)(OC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1748909120 OIPSWIVCUXIHSG-ZZEZOPTASA-N 438.488 1.705 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)NCCC)CC1 1748986505 AZRMVNRYGHPFGS-UHFFFAOYSA-N 446.559 1.802 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1749368879 SGXNOSCNVGQNKG-IRXDYDNUSA-N 441.598 1.686 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1750062392 GGXCRARYLCZOHS-HNNXBMFYSA-N 433.534 1.486 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCOCC1 1760110540 QIQURLXPKORALQ-OAHLLOKOSA-N 432.550 1.238 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1760117467 PELRWXQRACCNGC-HOCLYGCPSA-N 447.527 1.912 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760285084 YNWKKLRVFGGALZ-QUCCMNQESA-N 426.590 1.787 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1760422066 IBFFCNGUECKFTJ-GVDBMIGSSA-N 427.571 1.629 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760428574 YZJGAYJSYIVLPH-DOTOQJQBSA-N 436.582 1.577 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1760448118 WKRQJZMNZQFUQQ-MRXNPFEDSA-N 427.571 1.488 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760522920 GSBPHEPXHSMMLI-UHFFFAOYSA-N 426.525 1.302 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760523179 OKKCXJQEWAAWGC-OAHLLOKOSA-N 444.540 1.332 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOCC2(CC2)C1 1760526292 KFSYQZZJEJAFMG-UHFFFAOYSA-N 430.534 1.189 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OCC)CC1 1760552004 YRQWTYFZULZIBO-UHFFFAOYSA-N 437.522 1.726 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1760553768 HZTPXVALSYRBIT-CJNGLKHVSA-N 446.508 1.989 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1761362150 ANLKIKIHHHJBIL-RDJZCZTQSA-N 432.550 1.801 30 10 IDEE CC1=CCCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762165152 HAYKQPJPNLMCBC-QZQOTICOSA-N 436.520 1.823 30 10 IDEE Cc1nc(C)c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)s1 1762244141 BPAWMJDZKSPAFZ-DGCLKSJQSA-N 425.584 1.800 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1766247790 QJQTYGPFQUFFJI-UHFFFAOYSA-N 434.504 1.966 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(C#N)C1 1766722229 RBCOXCKUZZQDSS-FQEVSTJZSA-N 448.597 1.599 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1767091539 ZJSNUMZBTSPNCD-RTBURBONSA-N 444.561 1.919 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)CC1 1767150131 JUDSNOARENXEMM-IBGZPJMESA-N 430.601 1.528 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)CC1 1767229951 ZGHKWTBCDVEILO-UHFFFAOYSA-N 427.509 1.331 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCCNS(C)(=O)=O 1768633827 JCVRHANWQMLRAD-GOSISDBHSA-N 432.550 1.619 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)N1CCOCC1 1770205191 YSBNLRAWLHXJOD-ZVVDCOBXSA-N 432.569 1.853 30 10 IDEE C=CC[C@@H](CO)CNC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772556543 NMRZEWUBXAQCIL-CABCVRRESA-N 438.491 1.954 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1772882234 UDXMPPYFXIGOLK-IAORGOLBSA-N 438.536 1.719 30 10 IDEE N#Cc1ccc2c(n1)CCCN2C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1849449014 JPTHOKMLTGRFHO-UHFFFAOYSA-N 431.440 1.341 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 1849615522 SNAHRDFWPXPFHM-KRWDZBQOSA-N 427.530 1.586 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1852735424 QBQLDBHWYQSCNW-UHFFFAOYSA-N 443.529 1.183 30 10 IDEE C[C@H]1CN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@@H]3CCS(=O)(=O)C3)n2)C[C@@H](C)O1 1869951551 WBENYRLKTUUABM-JKIFEVAISA-N 444.517 1.375 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(OC)c(OC)c2)cc2c(N(CCO)CCO)ncnc21 1873646211 IYGUHFGCDRRSFR-UHFFFAOYSA-N 441.488 1.678 30 10 IDEE CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)n[nH]1 2124535756 YDMBDYRDUVWOJN-UHFFFAOYSA-N 444.301 1.776 30 10 IDEE Cc1sc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C#CCCO)c1C 2237678595 PMDYCCUFYJKGII-UHFFFAOYSA-N 446.550 1.814 30 10 IDEE CN(CCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2243679501 YVYGBURFCBDAOQ-UHFFFAOYSA-N 426.348 1.845 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255879523 QKHBHSIFBYMXIW-JOCHJYFZSA-N 434.342 1.991 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2259345112 CPHAQBGZMKTKHH-KGLIPLIRSA-N 432.330 1.809 30 10 IDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267140425 QFQWCUGWMMAYRH-UHFFFAOYSA-N 446.317 1.719 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CCC2)n1 2267196481 FJRXNPJHFBFMJG-UHFFFAOYSA-N 449.361 1.587 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2267567917 NRLOTPINSVBUEU-KLHDSHLOSA-N 449.357 1.805 30 10 IDEE N#Cc1ccc(Cl)nc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270514045 LVELQVHURWGYPU-CYBMUJFWSA-N 438.849 1.728 30 10 IDEE C[S@](=O)CC1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282304050 FJSDYTCXUNWAEH-VWLOTQADSA-N 439.817 1.700 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](CO)CCCO)cc2Cl)OC1(C)C 2282306377 MIFNPCMRCAFZSX-SNVBAGLBSA-N 425.765 1.112 30 10 IDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NOCCCN)c(Cl)c2)OC1(C)C 2282496270 YARGEPXWDAKOCC-UHFFFAOYSA-N 425.143 1.851 30 10 IDEE C[C@@H](F)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284396878 GKIJTWJCBOCKMA-GMSGAONNSA-N 427.712 1.790 30 10 IDEE NC(=O)CSc1nnc(C(F)(F)F)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331129397 VSUYSVQAMJSCNW-UHFFFAOYSA-N 432.340 1.436 30 10 IDEE COc1[nH]c(=NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339787086 VPDZCXVLILXMBD-HNNXBMFYSA-N 449.357 1.859 30 10 IDEE COc1[nH]c(=NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339788323 NBAPAKXOQNOSSC-ZBFHGGJFSA-N 449.357 1.451 30 10 IDEE COc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C#CCO 2365320556 HAFUCFCASMOTHZ-UHFFFAOYSA-N 428.466 1.467 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3ccc(F)cc3)cc21 19978077 BPFNNVMXCOOQNT-UHFFFAOYSA-N 446.456 1.973 30 10 IDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)cc(OC)c1 20292662 BXXCFFBFEYOBLX-UFFVCSGVSA-N 428.478 1.581 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)cc1 20292945 DEHLNLNASDAXHP-FSJBWODESA-N 441.517 1.864 30 10 IDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 71530841 AUWSTHYSAHHTLL-LLVKDONJSA-N 444.922 1.859 30 10 IDEE CCN(C1CCN(c2cc(C)nc(C(C)C)n2)CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 410120836 MPSAXAPJDMTCKN-SFHVURJKSA-N 436.582 1.668 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 431614038 KSYAYESYQPFSFE-UHFFFAOYSA-N 429.907 1.559 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 460387790 MOBPQKXSGYZFPI-GOSISDBHSA-N 435.525 1.889 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C 474328718 LHIROXQTNICTCU-UHFFFAOYSA-N 448.548 1.567 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 477440463 AZOXHLGUFUJELT-AWEZNQCLSA-N 447.582 1.434 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@H]1CCCO1 479381585 KHKCHRSFODBHRZ-CQSZACIVSA-N 449.985 1.929 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 483471083 DLLVQYGBPMPLIM-BBRMVZONSA-N 428.536 1.260 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1)c1ccccc1 488124611 ZMJKQSPUVGVYGX-IBGZPJMESA-N 446.532 1.650 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 497580423 BQXGVRRMWRQHHM-UHFFFAOYSA-N 446.598 1.207 30 10 IDEE Cn1ccnc(N2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)c1=O 511974516 VIPMVIFGTYDXQI-UHFFFAOYSA-N 437.504 1.269 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N 515662936 QNXHKOSIGWGKDT-UHFFFAOYSA-N 430.464 1.691 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](C(=O)N3CCCC3)C2)CC1 537250191 YSIHNGSJWBYBCE-RBUKOAKNSA-N 429.590 1.791 30 10 IDEE COc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1-n1cnnn1 542858224 GHHJBYGQLLDERV-QGZVFWFLSA-N 435.469 1.696 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc(N4CCOCC4)c3)C2=O)cc1 559006806 KSXXNTLJSWAUOE-NRFANRHFSA-N 447.495 1.251 30 10 IDEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589440830 GKHKXVGHTSGBIX-SFHVURJKSA-N 426.542 1.960 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 609042428 WDPYPAIRMQUSNW-LJQANCHMSA-N 444.557 1.223 30 10 IDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)cn2)c1 610480011 CMSHMSAUECHZNI-LJQANCHMSA-N 449.467 1.580 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 670198157 VFBJOXOUBNDGHX-KBPBESRZSA-N 439.542 1.549 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 670208210 ZHZHIJRKORUNHI-MSOLQXFVSA-N 439.582 1.440 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416401 OFJHYOBADSMGSZ-UHFFFAOYSA-N 435.461 1.045 30 10 IDEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=Cc1cnn2ccccc12 729632728 IEGRADYBEYGFSA-UHFFFAOYSA-N 430.446 1.709 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671756 OIEXAUDRCWDPQC-KRWDZBQOSA-N 436.537 1.855 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732651480 BCDMQFOPBJHTQK-SFHVURJKSA-N 445.589 1.740 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cn1 732795528 LHSVZWWJUTXOHK-QGZVFWFLSA-N 426.542 1.738 30 10 IDEE Cc1cc(Br)cc(C)c1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 735080471 HMJGPZWNHVLKTJ-JQIJEIRASA-N 428.308 1.871 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCC[C@](O)(c3nccn3C)C(F)(F)F)cc2C1=O 747161936 FXTOTYAMHHYPBY-IBGZPJMESA-N 436.390 1.772 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2=O 754379962 OHPNCELYQOQSOV-FAGJFJLWSA-N 433.509 1.459 30 10 IDEE C#CCN(C(=O)NCc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 774247952 NWHJZGUIZNFNNB-QGZVFWFLSA-N 446.554 1.405 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)n1 788814505 PHBGTORBWJRHNY-UHFFFAOYSA-N 434.518 1.491 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 794578500 COLLRIGHMNHBLQ-ZIAGYGMSSA-N 431.539 1.044 30 10 IDEE COC[C@H](C)N=c1scc(-c2cnnn2C)n1N=Cc1c(Br)cnn1C 794838735 ZXUMXPKNAYGGMV-JTQLQIEISA-N 439.343 1.659 30 10 IDEE C[C@H](CC(=O)NC/C=C/CNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 807231191 MQTICCHUDYGIGK-HSBSLETESA-N 436.534 1.701 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=C3CCc4cccc(C(=O)O)c4C3)nc2)CC1 814745844 IQRDOAFIHDFXGE-UHFFFAOYSA-N 443.529 1.673 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 919636857 BRNFBXLYTPXXQF-GOSISDBHSA-N 439.472 1.342 30 10 IDEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)O2)CO1 1133891059 UYUMSQXUIBSTLH-GTCCEBARSA-N 447.557 1.802 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(Br)nc(Br)c2)c(=O)nc1O 1148392585 AGBUOHMKAVZRKG-UHFFFAOYSA-N 443.055 1.171 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)OC1(C)C 1153815317 UXFIVHBGRAFPEM-QGZVFWFLSA-N 435.374 1.252 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2cncs2)Cc2cncs2)cc1 1157360093 WOJPHIGGBUJTPH-UHFFFAOYSA-N 433.540 1.979 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC4(CCCC4)OC[C@@H]3CN(C)C)CC2)o1 1196198570 OBGJGQPQYHEPHM-SFHVURJKSA-N 430.553 1.079 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1197084405 UUHJHXBFMKUYEV-CALCHBBNSA-N 435.546 1.867 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286377405 XBZWAOLBJFJNRY-MJGOQNOKSA-N 428.562 1.538 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389172 GTFZJUNYKBDJQU-QRQLOZEOSA-N 441.557 1.660 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286500018 NJHHGIRDGFUKGB-INIZCTEOSA-N 435.531 1.843 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1286549605 YGAAKRYJLQJHFZ-QZTJIDSGSA-N 444.580 1.846 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286607449 GZOZSAJUKCLYFC-DLBZAZTESA-N 434.566 1.500 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286611612 MCWUTAHQSXWUTN-GOSISDBHSA-N 441.598 1.878 30 10 IDEE C=CCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286777803 LXNHJKIKKJWQDC-JOCHJYFZSA-N 426.521 1.862 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286784066 VRZLWFHBQYPUOW-PXNSSMCTSA-N 440.548 1.413 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286793213 AGDBNFGZJGHPCQ-LNLFQRSKSA-N 448.568 1.045 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 1286821537 OMAZWOZOGKVXJD-INIZCTEOSA-N 435.525 1.311 30 10 IDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c([N+](=O)[O-])cc1OC(F)F 1289435899 GBNKOCNNKIEVKK-XXFAHNHDSA-N 431.373 1.215 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)CCS2(=O)=O 1289584168 XXYSXZFOTKDUCE-BXAPWLEFSA-N 429.498 1.256 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 1293861528 TVHZVYAUVHZLNY-UHFFFAOYSA-N 427.545 1.779 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1297557802 OTIPGVQXFDWSTJ-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE Cc1nc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)sc1C(N)=O 1299990240 JXMWRCFNPLKDCP-UHFFFAOYSA-N 434.319 1.937 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1300407757 CLJSIHSOTQWHRZ-LJQANCHMSA-N 435.532 1.403 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300489105 ISMFJRFVMIGNEQ-WIYYLYMNSA-N 430.530 1.377 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[C@@H]1NC(=O)NC1=O 1300511859 PNNZSHIANUELLU-KRWDZBQOSA-N 442.483 1.396 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCC2(O)CCOCC2)CC1 1300719236 SPCZXKVGJONDSP-UHFFFAOYSA-N 437.544 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@H](C)C2)CC1 1300726570 PSPHCNLHSAPBKR-ZIFCJYIRSA-N 447.605 1.582 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1300732258 ABHBEILFIWWYRP-DOTOQJQBSA-N 441.623 1.650 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300754419 PSLWVNHKCPARFW-UHFFFAOYSA-N 449.588 1.890 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccn2)CC1 1301237390 RACWXXGDKCQDMQ-UHFFFAOYSA-N 426.525 1.223 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC)CC2)cc1 1301527171 WGVZUVOJYFMXJU-GOSISDBHSA-N 440.504 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301589624 UYWRVANNQPSJSP-BBWFWOEESA-N 428.555 1.361 30 10 IDEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c1 1303994127 ONJBMKUNQIGYDP-INIZCTEOSA-N 432.889 1.978 30 10 IDEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3cccc(C#N)c3)C2)cnn1C 1304098266 IBNLTDLFZVVJDT-FQEVSTJZSA-N 448.531 1.956 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC([C@H](C)O)CC3)nnc12 1306888162 NVESQSQBIUSQON-AWEZNQCLSA-N 427.530 1.942 30 10 IDEE COCc1nocc1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1315876076 VBJHWPGOLHEXOA-LJQANCHMSA-N 438.488 1.983 30 10 IDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1320320623 TYEZQDIRSLOVJH-INIZCTEOSA-N 440.518 1.661 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(OCCN2CCCC2)CC1 1358933066 GTPQIPMQTZULGZ-UHFFFAOYSA-N 428.581 1.895 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1358958615 RTEHMLCWRFLDSJ-MRXNPFEDSA-N 447.517 1.316 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1358967558 MYPTVGZOEOAGIJ-LJQANCHMSA-N 435.594 1.316 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1359010216 KGYSUYLCEKEUMW-SFHVURJKSA-N 432.546 1.865 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCC2)CC1 1359045263 BBFXRYPVLMYPIF-UHFFFAOYSA-N 425.508 1.889 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCN(C)C1 1359282446 AXZMKOMYLISUDA-JOCHJYFZSA-N 425.537 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1359330975 IUGWYUYZWBWGBW-GOSISDBHSA-N 442.545 1.742 30 10 IDEE C#CCN(C(=O)CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1359871305 LUXUYBDVYCNREI-AWEZNQCLSA-N 448.360 1.262 30 10 IDEE CC(C)NC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1360309893 QXZNPZZOZCIIMH-IDYLYPCZSA-N 443.552 1.623 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCO[C@@H]1CCOC1 1360679323 UCHLIVAYOVKRFR-NVXWUHKLSA-N 440.570 1.214 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)c1 1441884915 NCLZCFKMACLGII-IBGZPJMESA-N 436.468 1.283 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(C#N)cc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]21 1456659606 WHRDDMIRTGAQHW-KGLIPLIRSA-N 440.909 1.465 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1456937018 UHZYQUPDBLYRMI-KKSFZXQISA-N 443.573 1.710 30 10 IDEE C[C@@]1(C(F)F)CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 1460480201 OYCVMDAUCSSHLU-FQEVSTJZSA-N 435.431 1.811 30 10 IDEE CCOC(=O)[C@]1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1460665789 SGWNEXLHFKBZTE-UGKGYDQZSA-N 432.496 1.189 30 10 IDEE C=CCOC[C@@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)C(=O)OC 1467515460 IGMJYXJONPBAJV-JXORXQGFSA-N 437.537 1.764 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 1468524123 AMVABQAACSCOAQ-XMSQKQJNSA-N 445.516 1.832 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC1(C#N)CCCCC1 1470192894 FJHFYCAVNPOUDF-QGZVFWFLSA-N 435.546 1.819 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 1470510541 CVDLPSACNAYKIF-UHFFFAOYSA-N 428.470 1.792 30 10 IDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1470825379 MWTAUAMDGQZUAR-UHFFFAOYSA-N 439.534 1.472 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1507532987 HXGNXCUQPMLVJX-DLBZAZTESA-N 435.532 1.899 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1507737789 FIERCDPMUKJUFU-QUCCMNQESA-N 435.532 1.682 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507757174 QAGHLRJBIXYNSV-PKOBYXMFSA-N 434.610 1.170 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507937674 XSZVTRFSMXGYMV-UHFFFAOYSA-N 438.536 1.301 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507952369 QXUIMJUTRSCIKU-GOSISDBHSA-N 435.598 1.872 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1508085507 HXDBJNAHIZTOLG-ZHRRBRCNSA-N 429.496 1.694 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCOC 1508089743 KIYMNXUGRAAMGV-UHFFFAOYSA-N 436.557 1.777 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)C1 1508116413 RTBJYQTXBMEUIO-GVDBMIGSSA-N 439.582 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1508147332 IQOBWXZHTSBTSA-ROUUACIJSA-N 437.566 1.733 30 10 IDEE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1508237471 PFKVZODHFLFMAP-CQSZACIVSA-N 434.460 1.495 30 10 IDEE Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1510877033 MZJOVNDJHXKRJY-GOSISDBHSA-N 435.444 1.638 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@H](C)O1 1518920075 ZNRWPLHOAPWSAU-DBVUQKKJSA-N 427.505 1.862 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539211835 PMYPMNMHJFYCIN-OAHLLOKOSA-N 444.586 1.978 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540035392 BKGCIDIKONMCSD-NHCUHLMSSA-N 432.613 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540867089 KEUXLKDYKMWOIC-QGZVFWFLSA-N 436.516 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1540868148 UCZUIYIPUDMUNI-MRXNPFEDSA-N 427.553 1.717 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1546043536 VMHPIGQUFCFBQD-WDSOQIARSA-N 432.569 1.730 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1547671996 CMLOJMIOQLQOSE-GOSISDBHSA-N 431.566 1.286 30 10 IDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cc(C)n(C)n1 1548369476 IJRVEFHNEOLPSB-KRWDZBQOSA-N 434.422 1.696 30 10 IDEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1552831126 HVMONHRYRRKQDE-DNVCBOLYSA-N 433.513 1.131 30 10 IDEE CC(C)N1CCN(C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CC1 1556074826 FHGPHIXFCNHMCX-UHFFFAOYSA-N 436.553 1.754 30 10 IDEE CN1CC[C@H](N2CCC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1556526773 GIUGZFJNVQAUDR-ROUUACIJSA-N 435.569 1.775 30 10 IDEE C#C[C@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1 1556781483 HPLVWHFDVPHSCZ-HNAYVOBHSA-N 448.317 1.855 30 10 IDEE N#Cc1cccc([C@H](NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C(F)(F)F)c1 1558063532 QGJLXXJQOUQSBD-LZWOXQAQSA-N 429.420 1.313 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)C(=O)OCc3ccccc3)CC2=O)cc1Cl 1567184172 CQACCOHVSXPMCZ-APWZRJJASA-N 441.871 1.785 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2C12CCOCC2 1570739113 AGSAGCDKPKGMEG-AWEZNQCLSA-N 429.502 1.039 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccc(Br)cc1 1583565635 KJMMWCAXWLYDER-MRXNPFEDSA-N 440.305 1.989 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCCSCc1ccccc1C#N 1587321531 XPQONGMNIGGNLR-UHFFFAOYSA-N 435.527 1.886 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1587847587 OPHHCXANUHXORM-GOSISDBHSA-N 449.559 1.762 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1588054684 PLBXXQUDJZCLFW-MSOLQXFVSA-N 432.550 1.064 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1588185576 JLLCXDCFAZTXSJ-KNQAVFIVSA-N 428.533 1.936 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](OC)C(F)(F)F)CC1 1588865624 YOGPXCZRUSAUHW-QGZVFWFLSA-N 439.486 1.862 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@]1(OCC)CCOC1 1593683269 KBMHGMVQPLYPJR-GCJKJVERSA-N 434.585 1.543 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCOC1 1595185051 LWCPUCHJTBELJF-OAQYLSRUSA-N 447.561 1.525 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCN1CCOCC1 1595556329 RRGSSNJMILDHLL-UHFFFAOYSA-N 432.956 1.593 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595561965 JIJSOAZBNDJPMZ-MRXNPFEDSA-N 429.550 1.137 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1595714249 MNRSNSWHNDQGTN-UYAOXDASSA-N 428.585 1.486 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 1617846619 ZFLWBFQWWMOXIV-OAHLLOKOSA-N 436.534 1.487 30 10 IDEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1618167475 PNDXMSDOKDNMGX-UHFFFAOYSA-N 434.447 1.679 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1619962312 XHWLHMBJSQIOLE-UHFFFAOYSA-N 435.488 1.832 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)F)c2)CCO1 1620356130 SNJRAZQVHLUODW-HOTGVXAUSA-N 437.472 1.895 30 10 IDEE C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(Br)cc1 1628543799 ZLGKYAAZZXOXST-NHYWBVRUSA-N 425.308 1.340 30 10 IDEE C#C[C@@H](CO)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1628628564 POWCOVTWGLMPOC-KRWDZBQOSA-N 448.491 1.798 30 10 IDEE CN(C)C(=O)COC1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1635102673 PMUWCKIOUWKXBF-HXUWFJFHSA-N 442.516 1.708 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cc[nH]n1 1636145160 LLUKAHGNTOATOG-AWEZNQCLSA-N 442.394 1.952 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)OCC)c1 1637909616 ICTVFUCYDCLVNR-HNNXBMFYSA-N 433.490 1.423 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc(Cl)ccc2Br)CC1 1643372661 VWWWQGFNVVUTJF-UHFFFAOYSA-N 434.743 1.257 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(F)=C/c2ccc(F)c(C(F)(F)F)c2)CC1 1643372732 YUXDNADVYXPMSW-PTNGSMBKSA-N 437.390 1.767 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(I)s1)C(=O)OC 1663038299 YRYCNMDYNMEWCF-MRVPVSSYSA-N 431.273 1.375 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)C1 1680972569 BBFZXSKHCAEERA-BBWFWOEESA-N 447.540 1.644 30 10 IDEE C#CC[C@H](COC)NC(=O)NC[C@@H](O)COc1ccc(I)cc1 1683130371 KEIWLPZUOWNYEW-ZIAGYGMSSA-N 432.258 1.368 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC1 1689835095 GBTWNUUUAPPOSG-KRWDZBQOSA-N 443.573 1.671 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@H](C)C1 1689937085 NWMDCQMQLUHKIQ-QGZVFWFLSA-N 430.578 1.840 30 10 IDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1689959833 OKWOWSOGGVPPNE-XYJFISCASA-N 439.520 1.829 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689989638 HODWAKCOPIJEER-QZTJIDSGSA-N 432.550 1.004 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689990708 QXJAFMFHNVDXQU-SJORKVTESA-N 449.577 1.192 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689993211 XXTSXJALYFZCSL-LQBOVUBWSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690022755 QKUAVZGWFPTFAG-UHFFFAOYSA-N 442.523 1.852 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690045486 KYKUEYCKXPXYPG-LJQANCHMSA-N 439.541 1.285 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690098232 AOXFCEJPKNQLIK-GOSISDBHSA-N 442.545 1.184 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1 1690256035 AUSIXGTWXZJBFL-AWEZNQCLSA-N 433.600 1.258 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690351121 IMYZKFGHIRNHPD-QAPCUYQASA-N 449.987 1.142 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1)C1CC1 1690545489 SHDOOIDEFTZKDF-KRWDZBQOSA-N 438.598 1.250 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1692665166 RFQPCDSJMHPQFM-LSDHHAIUSA-N 431.584 1.133 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)C1 1698484079 NDBKLKBGJCSNKX-HXUWFJFHSA-N 434.422 1.448 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1698488661 HAEWTKCMDIKSTM-OXJNMPFZSA-N 444.492 1.605 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1705495460 QCRKHEMIDGVWDE-JYJNAYRXSA-N 427.596 1.355 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705559436 AOUMEOYTTFEDEG-OAHLLOKOSA-N 442.607 1.170 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705570462 PKOFHLHEYNVKGB-OALUTQOASA-N 427.530 1.236 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1705590862 YHMDWTBZDHZRKH-NRFANRHFSA-N 434.562 1.360 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1705599850 BDVKZAMYJKDVMC-UHFFFAOYSA-N 439.589 1.261 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ncccc2F)CC1 1705653065 XSENZDJJDIVVIG-GOSISDBHSA-N 442.495 1.709 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705736180 NCBLUORTXMAKMU-CQSZACIVSA-N 439.538 1.468 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705893022 XESWZKSIHGDRJK-OAHLLOKOSA-N 426.456 1.714 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705894342 VUKBNQFVFFHPQQ-GTAWCEEGSA-N 432.569 1.177 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1705900573 IPTIXWUMPCRUBT-UHFFFAOYSA-N 435.532 1.798 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@@H](C)C1 1705900749 OAUWHWMZWBOYQV-HNNXBMFYSA-N 447.565 1.156 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705903441 WGLWWDJUNDJSPB-KRWDZBQOSA-N 434.541 1.879 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705905963 MWFPLIDZCVNGHC-UHFFFAOYSA-N 426.481 1.163 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1705911262 CYMCXOWULYXCBS-GOSISDBHSA-N 440.529 1.972 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1705934967 CHRCYLXJVNNWCE-KRWDZBQOSA-N 449.552 1.571 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1706034227 ATICYWHRELTVQV-XXBNENTESA-N 437.548 1.236 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CCO1 1706048289 AYLJXMBFNRGINL-HXUWFJFHSA-N 448.531 1.557 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1709905231 BLSKQWSBMGWIPY-HXUWFJFHSA-N 437.548 1.454 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=CCC2)C1 1712703290 XBMVDIXKYWBVBT-GOSISDBHSA-N 442.545 1.777 30 10 IDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722311416 VVAJHOMXXYGBNY-UHFFFAOYSA-N 432.506 1.738 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1722369920 IQAQTPQLAZBDKS-MRXNPFEDSA-N 436.509 1.637 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)NC1CC1 1722377188 RVXANMDMHRWYMW-UHFFFAOYSA-N 429.488 1.052 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1722437647 ONCUIBCNQYQIOE-PZJWPPBQSA-N 426.540 1.979 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2ccn(C)n2)CC1 1722441305 KVSWPQNBBAFOSF-WOJBJXKFSA-N 425.581 1.928 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722453499 VGMWNWONLRGSAT-HXUWFJFHSA-N 434.566 1.594 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722653622 BDWQCAOFZCIKPY-JOCHJYFZSA-N 446.573 1.981 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1722672411 PVDUHJJOIRUOAR-INIZCTEOSA-N 433.534 1.819 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1722697149 GJJYIAJLCJGEPM-LJQANCHMSA-N 438.580 1.986 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722705662 GRMHUQXHHMVCBQ-SFHVURJKSA-N 447.561 1.399 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](COC)C1 1722727530 JDKWSCPAVKNLGX-QFBILLFUSA-N 448.545 1.864 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1724549872 GSUMHMATOWYKIX-OALUTQOASA-N 445.545 1.862 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1740551860 WCPLOPXKAPSZLK-HZPDHXFCSA-N 448.568 1.817 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1740689090 ZNNHHOHFJGLWKW-IBGZPJMESA-N 446.573 1.995 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740694307 FTIXEXSOTXIGGZ-OAQYLSRUSA-N 441.624 1.634 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740722823 KSYQSZOOFRVFKH-JOCHJYFZSA-N 449.621 1.990 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740763243 ZUPHRTAGNJCSPY-SJLPKXTDSA-N 430.553 1.978 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740871525 GDWNNRDIUGKPMX-LJQANCHMSA-N 437.508 1.228 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1740875834 KTPSPEIUEWEKRS-KRWDZBQOSA-N 439.582 1.125 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740962493 FQABVRADSUHXGW-QGZVFWFLSA-N 430.578 1.975 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)nn(C)c2C)nnc1[C@@]1(OC(C)C)CCOC1 1740964514 DMZMKKLPHPYPSE-JOCHJYFZSA-N 445.568 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740990279 OPSGJVYPERVWLL-ZWKOTPCHSA-N 446.577 1.979 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1741006660 OAKFMSYWXIGFBO-ULQDDVLXSA-N 444.623 1.935 30 10 IDEE CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1741422158 CTIIGCAKBCUARF-FCEWJHQRSA-N 426.562 1.598 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1741813266 SUJMDRILULDGQE-SJLPKXTDSA-N 448.531 1.888 30 10 IDEE CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1743452055 LYFKPUWTWAIFEX-QHCPKHFHSA-N 440.548 1.957 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1745196135 MKJSUWNEWWRIGS-GJZGRUSLSA-N 443.508 1.287 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCO[C@@H]1C 1747405383 BMFNMYCQPRBIPN-FOIQADDNSA-N 433.534 1.228 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CS(C)(=O)=O)CC1 1748658796 XMRQZRCQWPABLN-HNNXBMFYSA-N 430.530 1.999 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC=CCO2)n1 1748971297 KZYQLLISNBQTHM-MOPGFXCFSA-N 439.520 1.057 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)c(OC)c2)CC1 1748973142 YHGGGQGRGBCBTB-QGZVFWFLSA-N 446.577 1.009 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1748999346 QYCXCNXCEWNFOH-UHFFFAOYSA-N 430.516 1.771 30 10 IDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC(N)=O 1749109081 BWWMADXAPRHJCW-NSHDSACASA-N 441.355 1.878 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1 1749528103 COPYWOCZHHVHNV-HSZRJFAPSA-N 441.532 1.867 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H]1CC 1749721319 HACYTEJCMYMGEC-QLFBSQMISA-N 433.600 1.114 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1750059482 AFQOTBZSTUUIPV-GFCCVEGCSA-N 433.318 1.719 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1751021140 DYNRUUBLAPKABG-FGZHOGPDSA-N 430.553 1.975 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1760187537 JZXVYXKMIJTZGS-AQNXPRMDSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1760220351 ZRIVIHCBGNVBDZ-GOSISDBHSA-N 436.541 1.648 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2F)CC1 1760261246 JKDFEOHDWJFEEY-GOSISDBHSA-N 431.537 1.431 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1760298277 BAUTWWCSWKDVQW-OAQYLSRUSA-N 442.545 1.612 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1760322218 PNBGCNHXBNQNSW-TVFCKZIOSA-N 439.582 1.581 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(CCOC)no1 1760322643 VSKARNQKNSEHJO-BXWFABGCSA-N 432.525 1.972 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1760336807 JLODZRJEVAUNMU-CVEARBPZSA-N 430.596 1.407 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1760520340 KLKMKVCFJVSZEA-KRWDZBQOSA-N 427.553 1.719 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)C1 1761132486 BCVVCZODYMYFLC-YLJYHZDGSA-N 439.564 1.874 30 10 IDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1763109909 KFNMMUUYPWKJLV-DLBZAZTESA-N 441.502 1.670 30 10 IDEE CC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765109330 RTOQKVNQHRVRGW-DXQAYGFFSA-N 429.525 1.569 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1767213776 CPNYUPKBAUOVCI-QHCPKHFHSA-N 437.548 1.236 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1767282334 ARVLWULQOBNCQH-UHFFFAOYSA-N 425.493 1.621 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCOCC2)CCO1 1770747410 JAEJSUHKMUOVFR-QGZVFWFLSA-N 446.502 1.988 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1771534164 PJNIDVJPYRSLEE-UXHICEINSA-N 438.488 1.653 30 10 IDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)OC[C@H](C#N)Cc1ccc(Br)cc1 1850657505 SAGNNNBSDXEBGA-ZFWWWQNUSA-N 429.292 1.278 30 10 IDEE C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CCN(S(C)(=O)=O)CC1 1851195755 BMIARWYUQKGNOI-MRXNPFEDSA-N 437.525 1.896 30 10 IDEE C=CCN(C(=O)[C@H]1CS(=O)(=O)CN1C(C)=O)c1ncc(C(F)(F)F)cc1Cl 1851570711 DOOYWOPJRGARAF-GFCCVEGCSA-N 425.816 1.876 30 10 IDEE Cc1nc(C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)c(C#N)c(C)c1Br 1851657724 UDBGKYIVCZVZLU-CYBMUJFWSA-N 445.321 1.825 30 10 IDEE CCOc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1853980379 ZVSFDQZGUXONRK-UHFFFAOYSA-N 427.482 1.559 30 10 IDEE CC(C)N(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1854067823 AVJUWUQMTJSHFK-PMACEKPBSA-N 431.558 1.763 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)CC1=O 1856806001 WEALNKPUIIRVHD-CHWSQXEVSA-N 444.893 1.231 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](CC)C(=O)O)c(C(=O)OCC)c1C 1860760976 KUMLYGMFRZTSTP-JTQLQIEISA-N 426.447 1.494 30 10 IDEE N#Cc1c(NC(=O)COc2cn(CCO)c(CSCCO)cc2=O)sc2c1CCC2 1870223757 KDLLJJHJRAUZEU-UHFFFAOYSA-N 449.554 1.505 30 10 IDEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873595720 OTKCCAQAVOLGFO-UHFFFAOYSA-N 436.516 1.675 30 10 IDEE C#CCN(CC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985004574 LRPDIAZYKHWBDT-HOTGVXAUSA-N 425.526 1.591 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2010027165 UTBZRGLJRFFPSG-HUUCEWRRSA-N 439.509 1.826 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2010402944 YCSGGTNRZHMKCS-CQSZACIVSA-N 428.310 1.857 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2255542266 PDNDOMFBNQXHNS-UHFFFAOYSA-N 428.216 1.497 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255595011 GNQKINWEARUJDB-YEJXKQKISA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2255620772 ZMGOSMBMNHDZFZ-GJZGRUSLSA-N 437.346 1.664 30 10 IDEE Cn1cc(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255622770 FFCDBBLSIXTUAJ-UHFFFAOYSA-N 438.309 1.408 30 10 IDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)CN(C)C(=O)OC(C)(C)C 2255622956 HNOKUHBFIRGCSD-CQSZACIVSA-N 436.362 1.952 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2255751307 YNHJECICZZISST-QGZVFWFLSA-N 447.366 1.699 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC[C@@H]1NC(=O)C(F)(F)F 2255864145 RTTFFOXQIBRBDW-YPMHNXCESA-N 429.248 1.843 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2256058893 JWJIZVSGNKPCAV-CQSZACIVSA-N 432.330 1.809 30 10 IDEE CCc1nn(C)c(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267143823 NGRAFGSJBYHKQS-ZFWWWQNUSA-N 448.373 1.925 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267278538 DGZNTCCQTAAGHN-FPTDNZKUSA-N 444.341 1.905 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)n1 2267506092 RZGBBLICRWZFAM-QFIPXVFZSA-N 449.357 1.695 30 10 IDEE Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267519909 KNIWTGNXIDGETC-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1 2267607940 RLYIFBGEBFSZGK-UHFFFAOYSA-N 449.361 1.539 30 10 IDEE COc1ccccc1[C@H]1C(=C(O)c2c(C)n[nH]c2C)C(=O)C(=O)N1CCN1CCOCC1 2296625816 QDQNHQGJYTWSKU-FQEVSTJZSA-N 440.500 1.789 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)[nH]1 2315399511 PHCUYMPESRLFDG-QFIPXVFZSA-N 433.358 1.895 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)cc1OC 21315633 RZWBANXBZJLRCM-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE C=CCn1c(=N)c(C(=O)N2CCC(C(=O)OCC)CC2)cc2c(=O)n3ccccc3nc21 101079040 FNKSYKPPHOBIBA-UHFFFAOYSA-N 435.484 1.730 30 10 IDEE Cc1ccc(S(=O)(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 254907172 YVSDAAVFPUSOQN-LJQANCHMSA-N 431.514 1.981 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 429168738 QLQBAIPHJAURQE-REWPJTCUSA-N 432.540 1.529 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 436418538 ABGKZNNCJWFFFQ-AWEZNQCLSA-N 426.498 1.641 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n(C)n1 470224084 QLHKIMJMRBSMBI-WBVHZDCISA-N 430.534 1.052 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1noc(-c2cccc(F)c2)n1 505884811 KGCMCTUXEZNZJI-LBPRGKRZSA-N 429.433 1.731 30 10 IDEE C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510295599 ASOIXRRZDWJWMI-AWEZNQCLSA-N 433.921 1.940 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1C[C@@H]1CCCO1 521297689 SZCBZQNWADHCPJ-AWEZNQCLSA-N 431.583 1.742 30 10 IDEE CCc1nn(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(=O)c(C#N)c1CC 521655240 USLDRZYVVIZGIA-UHFFFAOYSA-N 437.548 1.810 30 10 IDEE CNC(=O)c1cccc(OCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 536090546 NPAMUUXXTLKUAS-UHFFFAOYSA-N 432.484 1.814 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)sc1Br 546883268 FUGXQWYTMVCWSH-UHFFFAOYSA-N 428.337 1.992 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCCO1 549471692 FCDNFCWWJOXPCC-HKUYNNGSSA-N 441.536 1.774 30 10 IDEE CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2C#N)CC1 555092146 KXJFRPUZPBJSTQ-UHFFFAOYSA-N 437.529 1.962 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)c(OC)c1 558483887 KMDNAEKQWRLNPF-UHFFFAOYSA-N 438.531 1.860 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 558985195 QZNIJNNQVQLJIT-AWEZNQCLSA-N 448.505 1.874 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 579329920 BUXJDWDRMYPWTJ-NRFANRHFSA-N 449.559 1.810 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)NCc3ccco3)cc21 586357108 IWNKMJJKVPXMML-ILHIWHGASA-N 430.482 1.827 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 591587817 IZUPLUSDZCTXSZ-UHFFFAOYSA-N 441.556 1.260 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 603590366 CUBIUKIJTAFPFK-ZDUSSCGKSA-N 447.492 1.578 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 603798785 NMSDRDODLXTMIZ-CYBMUJFWSA-N 431.464 1.149 30 10 IDEE N#Cc1cccc(NC(=O)CS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 604126265 MVFUGZFXNWJTOM-UHFFFAOYSA-N 448.526 1.540 30 10 IDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CC1 611091650 NWJKNFOATUJRGG-AWEZNQCLSA-N 442.944 1.936 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)C1=O 656413948 JVQXMXQWVYBBJY-WTGUMLROSA-N 436.512 1.332 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726590430 KAGYPXMEZJSFJB-UHFFFAOYSA-N 445.523 1.975 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 728584390 HEBLDEHFCLBXPY-UHFFFAOYSA-N 440.497 1.397 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)[C@H]1CCS(=O)(=O)C1 729331300 LWTHRVJRRCKRCC-WMZOPIPTSA-N 438.571 1.512 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1F 729668542 MNFCEMWOVFPMGC-UHFFFAOYSA-N 437.431 1.074 30 10 IDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)c1 729671085 GQMAZFVWQXRBFD-UHFFFAOYSA-N 444.578 1.444 30 10 IDEE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2[N+](=O)[O-])CC1 732652013 MQYKOOFGPUJBLA-GOSISDBHSA-N 426.477 1.076 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CCN1C1CC1 732707339 YCRAIIGILZLZRA-IBGZPJMESA-N 433.516 1.809 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)/C(=C\c1cccc(F)c1)n1nnnc1C 734294113 CRBUAIUKPQBBRB-RQZCQDPDSA-N 426.433 1.804 30 10 IDEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 740203173 FXOYYFLBVSMWDG-SFHVURJKSA-N 438.408 1.962 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 751791940 BOIWTODKSWTVKB-QURGRASLSA-N 439.516 1.390 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1 755547689 AXYLLPJIPIBGFY-YJBOKZPZSA-N 443.504 1.337 30 10 IDEE COc1ccc(C[C@]2(C)NC(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760552303 QLNHUKTYZJMPPH-QHCPKHFHSA-N 434.500 1.595 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 772300373 DVVBUNGQOOLHSL-UHFFFAOYSA-N 445.504 1.167 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@]1(C(=O)O)CCSC1 776665530 SRYXNSWPUPCJGG-GOSISDBHSA-N 425.532 1.362 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2ccc(F)cc2F)c1=O 782611051 LEVCFOQPWPNBAP-UHFFFAOYSA-N 448.252 1.700 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(F)ccc2N2CCOCC2)n1 789037147 JMFIPSWTIGFHFU-UHFFFAOYSA-N 429.496 1.850 30 10 IDEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 790046311 NXYDPYDONNNZCJ-QGZVFWFLSA-N 434.518 1.592 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCCN2S(C)(=O)=O)C1=O 795176620 JNUZAFMJKLONGA-HOTGVXAUSA-N 438.575 1.568 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1C(=O)c2c(F)cccc2S1(=O)=O 799313300 MURUTBQAGUOYHF-UHFFFAOYSA-N 425.401 1.666 30 10 IDEE C[C@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 799862168 PLTPTADBLMIGSV-MLGOLLRUSA-N 431.493 1.633 30 10 IDEE COCCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 802523770 YAFFSTPKTWDWNB-FQEVSTJZSA-N 448.531 1.841 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCC2(N3CCC(OC)CC3)CCCC2)cc1C#N 805155852 WKDSOSPYAWLHLD-UHFFFAOYSA-N 428.533 1.723 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(F)cc1F 838683153 DQMYJTDBCOZDHS-UHFFFAOYSA-N 432.415 1.785 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1Br 917352594 GXUAPSKJYDMDJT-CQSZACIVSA-N 446.326 1.887 30 10 IDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCOCC1 1131468465 FWEKUHDIJQNHBZ-SFHVURJKSA-N 426.922 1.519 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)(S(C)(=O)=O)CC1 1132647592 LIUVJIHIVGCUGA-GOSISDBHSA-N 447.557 1.956 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1136758676 FFZZMDHBPCJGDF-CVDCTZTESA-N 428.533 1.985 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCn2c(=O)ccn(C)c2=O)s1 1139873794 DTZKNIBSMMXNBL-UHFFFAOYSA-N 428.967 1.906 30 10 IDEE COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1148392905 NFPIKHBJYIQAIB-UHFFFAOYSA-N 444.341 1.538 30 10 IDEE CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)NCCn2cnc(C#N)n2)cc1 1157097557 IUXBVWQYBQGKDA-UHFFFAOYSA-N 428.493 1.802 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 1158633769 VBJGTQHVTUPOCG-BPUTZDHNSA-N 436.534 1.645 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(CN3CCNC3=O)cc2)cc1S(=O)(=O)NCC#N 1171702657 YGPCCFJVBWBTQV-UHFFFAOYSA-N 441.513 1.252 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 1177602071 GDSQSTOWGZGMEU-AEFFLSMTSA-N 435.546 1.707 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CCOCC1 1231331326 JOPHYVYVJMAESY-MSOLQXFVSA-N 436.553 1.477 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1 1251873926 JBEJJGUTKNOJIB-UHFFFAOYSA-N 443.525 1.901 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286356204 LKKSNGPZTWJKQV-MRXNPFEDSA-N 427.509 1.898 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N(C)C 1286424005 QNCBOANVKUJBAG-UHFFFAOYSA-N 436.541 1.848 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NCC)CC1 1286484207 GGBOOSIQYRXBSU-UHFFFAOYSA-N 449.559 1.646 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286507092 UZCBWKXFDDZVJI-QZTJIDSGSA-N 433.578 1.714 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286604916 DPOJPHCBEWYABZ-UHFFFAOYSA-N 434.566 1.793 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286625683 JDLQRQLCSNXEMD-UHFFFAOYSA-N 446.939 1.879 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOc2ccccc21 1286726790 IWZMIGCXTZJULI-APWZRJJASA-N 447.561 1.800 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1)C1CC1 1286732616 WMDOKICVTCLGDS-AWEZNQCLSA-N 443.537 1.067 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](Cn2cccn2)C1 1286785212 HPBQYGOVTLXXGS-KRWDZBQOSA-N 437.504 1.358 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286792063 LMLBPZZUZKURHM-MAUKXSAKSA-N 442.495 1.355 30 10 IDEE C#CCCCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300338611 FADXTGQVGHEPRK-UHFFFAOYSA-N 433.582 1.758 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1300496632 SOOULIYCEUYSPB-SJORKVTESA-N 426.608 1.942 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300501372 KWNVLTOHVSRCNW-AZUAARDMSA-N 449.621 1.358 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1300527553 IXYUHIBPRIMWKG-XMMPIXPASA-N 446.511 1.553 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCSCCCO)CC1 1300719816 RFTHGIKCZRXGFM-UHFFFAOYSA-N 428.562 1.422 30 10 IDEE C=C(Br)Cn1c(N(C)CCCC(=O)NC)nnc1[C@]1(OCC)CCOC1 1300861302 FSSMQJPQTVQMOK-KRWDZBQOSA-N 430.347 1.801 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1301481205 JCQUAEVWOSDFMO-INIZCTEOSA-N 444.511 1.918 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1301500445 MPBLFJDRGADCCJ-UXHICEINSA-N 425.533 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1301587763 SNAOEACABPUPFA-UHFFFAOYSA-N 436.582 1.696 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1306628792 HAQCNVJIWUAEBE-XSAFGROZSA-N 430.509 1.314 30 10 IDEE C[C@H](CC#N)NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1307886725 UFYAOBBTBZUWDW-GFQQVXNGSA-N 432.527 1.624 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 1313008548 TZIQINCKTDZFTN-FQEVSTJZSA-N 435.532 1.278 30 10 IDEE COc1cc(/C=C2/SC(=O)N(CCNC(=O)NCC#CCO)C2=O)cc(OC)c1OC 1313191512 REBSYEDKZOAIMY-FOWTUZBSSA-N 449.485 1.044 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1316297013 FXDXCKXSDLIBRN-DWRORGKVSA-N 430.509 1.627 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H](C)C2)CC1 1359028624 YHPOZKNZVUKOEG-NRFANRHFSA-N 441.624 1.781 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@H]2C)CC1 1359037740 VJWCXFOONHAKLD-QGZVFWFLSA-N 429.594 1.110 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1359070565 PHQIFMLAIRZGRF-BBTUJRGHSA-N 436.578 1.758 30 10 IDEE C=CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1359206616 KKHFNAOPXLUSCD-IBGZPJMESA-N 427.571 1.368 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1359257139 AGXHAYRSBJGZSE-IERDGZPVSA-N 446.577 1.559 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359297642 WVVHLTDCAGQPMY-UHFFFAOYSA-N 442.593 1.589 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1359441441 LSAAMYQLYJBFEI-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE COC(=O)C1([C@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)CCC1 1456399603 WEQPTBMHMGYANQ-SBUREZEXSA-N 425.485 1.608 30 10 IDEE C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCN1c1cnccn1 1460969844 FAAFYAVBXIXYEZ-ROUUACIJSA-N 425.562 1.458 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)c1 1469321278 NJTGTSBDYALSGA-OAHLLOKOSA-N 426.498 1.619 30 10 IDEE C[C@H]1CN(c2ccncc2)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1471936365 FOTKHNOBEJECSW-INIZCTEOSA-N 427.530 1.638 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ncn(C)c1Br 1472126251 RJSJVDNZNNMPCL-LLVKDONJSA-N 440.323 1.080 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCN(CC(F)F)C3)nnc12 1472580123 UAGMMRAODPYNLI-CYBMUJFWSA-N 448.499 1.778 30 10 IDEE C=CCn1cc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)nn1 1476106035 NIYGXLAJFKXJDK-UHFFFAOYSA-N 433.538 1.112 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1507654144 WNCROIRORZRGBB-HOTGVXAUSA-N 443.598 1.883 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1507692173 UNIVVTYKANSQPB-GOSISDBHSA-N 431.518 1.286 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1507754889 PTKCVKUYPMUEGD-JKSUJKDBSA-N 445.618 1.935 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CCC)CC1 1507852717 CPNGDRNKVXJDKB-ZDUSSCGKSA-N 432.978 1.526 30 10 IDEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507938439 CHGDWYRJJQSMAV-MRXNPFEDSA-N 429.550 1.137 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c[nH]nc2c1 1507980394 GNVSDZBEYMWJNQ-SFHVURJKSA-N 445.549 1.352 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1507983224 PMMPQNZZUGUSCJ-HNNXBMFYSA-N 426.568 1.241 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)O)C1 1508119790 XPOFMBODYWGMJG-QGZVFWFLSA-N 449.577 1.748 30 10 IDEE CC1CCN(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1512355898 VEDKEXRYWHZVPZ-UGKGYDQZSA-N 432.569 1.779 30 10 IDEE CCOCCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1516748873 CBTXZZQTFURLNA-UHFFFAOYSA-N 427.509 1.186 30 10 IDEE CN(CC1CCCCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1517217511 KNJOXJPQBIQZNG-XOMICKMZSA-N 441.536 1.772 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1519051751 BCAHSDRBVZGVKQ-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)nc1 1525176633 CCKNOKUCVDNLON-UHFFFAOYSA-N 439.291 1.984 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)cc1 1527886010 VRCGRFIDIRUPJF-UHFFFAOYSA-N 426.438 1.471 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CC#N)C(F)(F)F)o1 1538122845 JPYAKXIDPFQFDJ-JQWIXIFHSA-N 437.396 1.570 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[S@](=O)CC)c1 1539042182 CPCFIPXPTPSGEN-NOVUIFNWSA-N 429.546 1.607 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539094481 QFBRGEPHUZZIHL-LSDHHAIUSA-N 426.543 1.017 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(CC)noc2C)CC1 1539477654 UMTNTFHMNZRMQJ-UHFFFAOYSA-N 436.520 1.552 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCOC[C@@H]2CCOC2)CC1 1539483094 ZASKDFOBTQREAO-SFHVURJKSA-N 429.565 1.955 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1539750941 FACUIOZMLDCBKM-ZACQAIPSSA-N 439.582 1.296 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539894819 VUXXQKDAWXNAMN-GOSISDBHSA-N 430.553 1.298 30 10 IDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCOCCS(C)(=O)=O 1543291663 RXOXUMSDRCSNOU-UHFFFAOYSA-N 432.550 1.236 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1547901738 RWQSWWPEOHRINI-NPFVIJTESA-N 430.553 1.975 30 10 IDEE C#CCN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1NCCOC)C(=O)OC(C)(C)C 1566407297 IBWVPIHQQHCRHQ-UHFFFAOYSA-N 439.534 1.957 30 10 IDEE C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1567821187 HVFVOXYHZGBZGN-HNNXBMFYSA-N 434.382 1.899 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cc[nH]n1 1567855862 XZGOIPWKAPHFNI-HNNXBMFYSA-N 437.497 1.455 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1583662381 ZNFKCDMBSHEKTC-CHWSQXEVSA-N 427.452 1.902 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCc2ccccc2C1 1587909348 JGRUWFPACGCMHJ-YLJYHZDGSA-N 444.605 1.795 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588205969 YNLDRWXAPZOVBG-LJQANCHMSA-N 425.558 1.998 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1588267003 ZSAFFFGWTSBXRQ-MRXNPFEDSA-N 429.550 1.788 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOCC(F)F)CC1 1588791140 NQONZNLGNYAJCA-UHFFFAOYSA-N 435.475 1.999 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCSC2)CC1 1588930541 YQJLRSICLRNFRM-UTKZUKDTSA-N 433.578 1.354 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1593763981 SWKSFXWEFGIWNQ-RBUKOAKNSA-N 427.553 1.980 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1594680223 PBWWQGXKRXMNEF-DLBZAZTESA-N 426.587 1.013 30 10 IDEE C=CC[C@@]1(C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1595979629 JJWAJMAUDARJJP-NRFANRHFSA-N 432.525 1.668 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)s1 1596011949 BGTRPEWHVBAURE-MSOLQXFVSA-N 441.619 1.639 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@@H](C)CC#N)CC1 1596296530 GPPLOUOOWGZYCC-SFHVURJKSA-N 449.563 1.419 30 10 IDEE CC(=O)NCC1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1596612853 YBZOVHYXLCDIHK-QZQOTICOSA-N 443.552 1.356 30 10 IDEE COC[C@@]1(CN(C)C)COCCN1C(=O)COc1ccc(C#N)c(Br)c1 1597953070 VDQGCWWGHJNXEP-SFHVURJKSA-N 426.311 1.505 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)c1ccc(COc3ccccc3C#N)o1)C2 1606788636 QRDVUAZORCOXMK-KRWDZBQOSA-N 434.456 1.743 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCCCO2 1609506484 AQTQCWPMSWQQSL-INIZCTEOSA-N 426.477 1.355 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cc1OC 1616368588 XZXFFAFDSXEXBR-ZWKOTPCHSA-N 443.504 1.887 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1618790641 BOSQNPVCTUHNCC-KRWDZBQOSA-N 435.546 1.390 30 10 IDEE C#CCn1cc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cn1 1618800770 RRZBCFUCGSBTNL-ICSRJNTNSA-N 430.530 1.080 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)n1 1627669704 ANECVVUTAXRVOP-HNNXBMFYSA-N 428.565 1.211 30 10 IDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1631818042 SEKKMKUCPHWFQT-HXUWFJFHSA-N 440.493 1.943 30 10 IDEE N#Cc1cn(CCC(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)c(=O)nc1O 1641424462 ZRVSETIEALEHKR-IBGZPJMESA-N 447.289 1.009 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2S(=O)(=O)CC)cc1 1644337326 FWLUBPYOMZIOPR-UHFFFAOYSA-N 434.539 1.364 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 1651665379 HHRIZXCHXLZEJX-RURFIKTLSA-N 434.493 1.141 30 10 IDEE C=CCN([C@@H](C)COC)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1664407422 QBCNXILAJOGICM-PKOBYXMFSA-N 426.535 1.877 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)OCCO3)nn1 1664907619 ZZVWLRYXYYYUCW-UHFFFAOYSA-N 429.296 1.866 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCCOCCCNC(=O)OC(C)(C)C)CC2)c1C#N 1675060988 QETMKLWLMGQSIK-UHFFFAOYSA-N 449.556 1.363 30 10 IDEE N#C[C@]12CN(C(=O)N[C@H]3COc4cccc(Br)c4C3)C[C@H]1CS(=O)(=O)C2 1683643703 KEUAXIBKMMYFDR-XWCIJXRUSA-N 440.319 1.332 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1689989858 JDNKGJVUZQSCBZ-JKSUJKDBSA-N 449.602 1.670 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]2c2ccccc2)CC1 1690112160 QNDDANZERIIEKG-HOJAQTOUSA-N 442.589 1.447 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 1690175378 VSTFFCSDHQUZLX-INIZCTEOSA-N 426.608 1.940 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](CC)C1 1690659035 IDCJAJZNMGYGMP-QGZVFWFLSA-N 446.939 1.779 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690667002 NPUQIZMLLIIFMG-HNNXBMFYSA-N 432.912 1.242 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 1690683154 CITYTWOGGXGYDU-LJQANCHMSA-N 447.561 1.823 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)C1 1690686737 SSSAGUAQQJFKRZ-INIZCTEOSA-N 443.639 1.736 30 10 IDEE CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1 1693738388 CFGVNAYGWBNTTJ-KRWDZBQOSA-N 437.614 1.750 30 10 IDEE CCOCc1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696286638 ILSTXVVEJKUPGZ-UNEBPCJRSA-N 444.536 1.594 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1696749861 LLANSCGCGDWENF-BSBNDGSWSA-N 437.504 1.872 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC(C)(C)C1 1697566960 ARGJLCYUSWPOCT-QGZVFWFLSA-N 426.521 1.793 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705540345 VWQPTYYMMGLLJZ-ZWKOTPCHSA-N 437.566 1.174 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1705582919 MGODEJWYBZIRHX-GOSISDBHSA-N 440.525 1.463 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705638484 MDMQUQPLMGVUQQ-GOSISDBHSA-N 428.562 1.229 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(CCN(C)C)CC2)CC1 1705639776 WCQGZZFBFBMOEH-JOCHJYFZSA-N 443.640 1.201 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc3O2)CC1 1705763268 RMWIUULYGNXZRS-CVEARBPZSA-N 433.534 1.885 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1705894662 GYMXGJSCVFABFJ-AEFFLSMTSA-N 426.521 1.685 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1705897371 LJLAYOGQSXKCNI-OAHLLOKOSA-N 432.550 1.062 30 10 IDEE CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1706360124 AARYPTMQDJERBW-HLIPFELVSA-N 439.630 1.995 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1706941951 FQLKIWLNDATUSV-SJLPKXTDSA-N 435.532 1.823 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1Cc1ccc(C#N)o1 1708733310 UVBFJUTXSGZTDJ-NRFANRHFSA-N 425.493 1.568 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710433040 VCHLGTBONANDFA-HTAPYJJXSA-N 442.520 1.748 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1711016588 MTSAYRSXILTMBE-IBGZPJMESA-N 446.577 1.266 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CCO1 1711362710 DUMZYYMUYNCGRM-KRWDZBQOSA-N 439.520 1.073 30 10 IDEE COC[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712144265 JVGHWWQMIUTCQX-AWEZNQCLSA-N 425.493 1.218 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC=CCO1 1712537833 XBJZQGNQDNBFCX-QAPCUYQASA-N 440.504 1.882 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCOCCCO)c1 1712878915 MRBIUVKDYKJLRX-VQTJNVASSA-N 427.505 1.600 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCOCC1 1722380358 KJCRUZKNPUFTKU-UHFFFAOYSA-N 427.530 1.991 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC#C)CC1 1722465238 GUVKHZWTWAYEOZ-UHFFFAOYSA-N 425.558 1.987 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722536491 XBMPARYTFCELSP-HXUWFJFHSA-N 437.566 1.008 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1722661752 QSNILHZWSPDVON-CYBMUJFWSA-N 426.568 1.231 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722693021 BKPOTRYADWFYRZ-NRFANRHFSA-N 449.458 1.844 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722700720 RQKFEHSZEOEYKD-SFHVURJKSA-N 434.500 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722725118 FXGKHKBILUEVSG-HNNXBMFYSA-N 435.525 1.742 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(COC)CCC1 1729064974 GOWUDSOTUFMHBM-UHFFFAOYSA-N 442.568 1.872 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC2(O)CCOCC2)CC1 1740700149 HNFQSJBCIJDYIE-UHFFFAOYSA-N 443.523 1.683 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(COC)CC1 1740717013 HDIBGCAAGCMSLB-INIZCTEOSA-N 426.608 1.800 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1740757486 PJJRFERCKUIUQM-FXAWDEMLSA-N 426.521 1.616 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740868367 JVKXNOGWMQDBOQ-PBHICJAKSA-N 436.586 1.904 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740898911 AEPXHRXOQOAXMG-CYBMUJFWSA-N 449.524 1.962 30 10 IDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS(=O)(=O)C1 1740942098 BQDFGQLCEMTXFX-GOSISDBHSA-N 436.582 1.603 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740989467 NRUZLIQNAITENP-OAQYLSRUSA-N 447.561 1.715 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(N(C)C)CCSC1 1743196470 CEDUWXANTHPYMQ-ZHRRBRCNSA-N 439.589 1.921 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1743385128 GKEVCQQNAALWQR-PEBXRYMYSA-N 426.521 1.942 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1746378930 BDFXHDLHJLUKSO-PFUTUXKYSA-N 443.552 1.227 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1747602918 AVMKKVKQGVRPLN-DFNIBXOVSA-N 444.561 1.305 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CCO1 1748221846 BPPZZYRYWHSWPF-INIZCTEOSA-N 439.501 1.185 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748638522 QMUVNUAGIDVXOP-AEFFLSMTSA-N 428.537 1.849 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1748811897 NSODFDYHYVFUJU-LJQANCHMSA-N 438.557 1.856 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1748923055 RLULHOLMEDLZLU-VQIMIIECSA-N 436.516 1.703 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCS(C)(=O)=O)CC1 1748999660 ATENNHRWEFODLC-UHFFFAOYSA-N 445.589 1.609 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCCC2)CC1 1749010181 OSGOYSAUNSYQFD-LJQANCHMSA-N 442.564 1.544 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749031849 KYBPENCPZQUVAC-MRXNPFEDSA-N 427.534 1.406 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749034211 XRWZPZSKHRCKFK-QGZVFWFLSA-N 430.578 1.434 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749112165 CVCHCOKZILQDGV-INIZCTEOSA-N 427.391 1.939 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C)C1CC1 1749519307 IWHHHNBZMHGZIR-DLBZAZTESA-N 427.571 1.437 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749668730 DKACEVKUUANECY-SFHVURJKSA-N 438.532 1.636 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749676019 BDCUUNUIYHFPFJ-KBPBESRZSA-N 425.580 1.490 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1=O 1749877975 CIQCJPMAFKUPNN-QGZVFWFLSA-N 446.458 1.536 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1760188529 BNXCQNUNIVXNEN-SFHVURJKSA-N 432.546 1.541 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1760203168 XHJXGULGZCBNDE-IBGZPJMESA-N 427.530 1.549 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1760211138 BYRQUVKHIRAPTJ-XMMPIXPASA-N 443.592 1.628 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1760219921 SKFCAUYGHXPCGY-OALUTQOASA-N 444.580 2.000 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760397191 OKAHJPWGEQKGGA-ZBFHGGJFSA-N 445.611 1.258 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760436176 KVJWKXOZXOYPPE-FXAWDEMLSA-N 426.569 1.634 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1760693052 GIBFFMKZXTZNGH-MISYRCLQSA-N 437.548 1.899 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1760700714 IFWQSOBLJQKDAH-QGWWYQLQSA-N 447.561 1.614 30 10 IDEE CC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765109333 RTOQKVNQHRVRGW-UHHPSXQGSA-N 429.525 1.569 30 10 IDEE CN(CC(C)(C)CN1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1768608417 OGRWZWKWVAPYHQ-SFHVURJKSA-N 441.536 1.537 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1768930728 CKMZWAYPNCSDKH-NOVUIFNWSA-N 429.546 1.907 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1769325407 JUCPZMQUFSWVJF-UHFFFAOYSA-N 441.499 1.546 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C 1769478769 XMLNBHZECMOTPX-ZYSHUDEJSA-N 440.504 1.634 30 10 IDEE CS[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771390483 PQMNXHYNYNLREJ-OLZOCXBDSA-N 448.574 1.467 30 10 IDEE CC(C)[C@H](C(=O)N=C1NN(c2ccc(Cl)cn2)C[C@H]1C)N1CCS(=O)(=O)CC1 1851739083 IFPFIJGWECXWQR-CZUORRHYSA-N 427.958 1.376 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1 1853363973 MQPOGGXHLFCMRB-SFHVURJKSA-N 449.467 1.235 30 10 IDEE C=CCC[C@H](C)C(=O)N1CCC[C@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1855028547 AGAPNEBTKVYCBO-LPHOPBHVSA-N 425.595 1.995 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)cc3Cl)CC2=O)CC1=O 1855889547 IZHVYACGTSFRES-CYBMUJFWSA-N 438.311 1.881 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCOC3)C(=O)C23CCCCC3)cc1 1856299124 PUAOUIYLHVXEPG-KRWDZBQOSA-N 431.514 1.657 30 10 IDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1856848476 NTDUAZJSYCHFMW-IBGZPJMESA-N 433.574 1.562 30 10 IDEE COc1cccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 1870147113 YUNIKQNFEQIRCS-UHFFFAOYSA-N 430.424 1.945 30 10 IDEE CCN(CC)CC#CCNC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1 1890861677 RFKPMSSGVSQSKG-UHFFFAOYSA-N 439.578 1.045 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC([C@@H]4CNC(=O)CO4)CC3)n[nH]2)c1C 1891069459 ZBXQFHFFRUHRLZ-IBGZPJMESA-N 426.521 1.833 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060635908 QONIWIHZRLWEOL-KGLIPLIRSA-N 434.302 1.085 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128722993 XLKRTZIUDRRSPN-UHFFFAOYSA-N 447.341 1.243 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC(N2CC(NC(=O)OC(C)(C)C)C2)CC1 2218203860 AHYZBABRYKWRNK-UHFFFAOYSA-N 438.388 1.898 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2247951489 JDVGIIZRTHFQJJ-UHFFFAOYSA-N 440.371 1.930 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255606196 RDFMQLRTLABJHZ-CHWSQXEVSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826673 RAEMXJSYODUVQJ-QWHCGFSZSA-N 438.309 1.786 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2255837460 PTEHYWHSWMVMNS-UHFFFAOYSA-N 434.346 1.895 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844407 WKEXXKHNUWQVHF-UHFFFAOYSA-N 436.318 1.694 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)n1 2267504591 VBIPILLSYZYHHI-HZPDHXFCSA-N 447.341 1.711 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267545916 PCJYTVGSSLGSCC-KGLIPLIRSA-N 449.361 1.347 30 10 IDEE CC(C)(C)OC(=O)NCCc1n[nH]c(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)o1 2267559151 LZSLIXYZPHIRLP-UHFFFAOYSA-N 447.301 1.438 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2268644269 OHNZQASUEQOJRM-SFHVURJKSA-N 446.353 1.756 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1C 2315525743 XFLNHHFTSVOYSA-UONOGXRCSA-N 434.346 1.813 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CC(NC(=O)OC(C)(C)C)C1 2315532658 HZJGLLREGMRYFJ-UHFFFAOYSA-N 434.346 1.847 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cn1 59914004 MEPGBPYAJIMXGJ-DNTJNYDQSA-N 433.473 1.151 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1 72443820 SZXSCBCMSGAIJS-UONOGXRCSA-N 426.864 1.349 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CCC1 430982771 VMOVBAHYEZDRFY-UHFFFAOYSA-N 439.566 1.910 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccc(F)cc1 440383427 NPFYLFREGMTPCY-UHFFFAOYSA-N 441.484 1.595 30 10 IDEE Cn1cc(C(=O)NCC2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)cn1 462097476 LEMUMSHQZUUVSP-UHFFFAOYSA-N 433.476 1.546 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ncc(Br)cn1 486386158 GUYAOKCCBHVQCO-QWRGUYRKSA-N 438.307 1.655 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCS(=O)(=O)c3ccccc3)C2=O)cc1 505433016 DZQCXWVAEDMAKG-SFHVURJKSA-N 440.481 1.353 30 10 IDEE CC(=O)NCCN(CC(=O)NC1(C#N)CCCCC1)CC(=O)NC1(C#N)CCCCC1 507346729 NEFZTNQNQQSNMW-UHFFFAOYSA-N 430.553 1.110 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 508835434 ZYIICZNNEHPKTR-HXUWFJFHSA-N 440.548 1.930 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C2CC2)C(=O)C1 508840335 KPFLLNZCWKEZOM-UHFFFAOYSA-N 435.576 1.640 30 10 IDEE N#Cc1ccccc1CSCCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 515814582 NDQLDXMTIPZSCX-UHFFFAOYSA-N 426.473 1.971 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 516632794 QGVRZYJLSHQBDB-QFBILLFUSA-N 431.489 1.206 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 518799799 UDQQKAQUBHBSKJ-RBUKOAKNSA-N 432.569 1.465 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2)nc1 522921232 MPDQNQNUMLSORT-IBGZPJMESA-N 435.484 1.408 30 10 IDEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 531436130 LHHGCPLOUBLTQM-UHFFFAOYSA-N 437.319 1.806 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cc1 532448403 ICOIVTJFMLCWBR-UHFFFAOYSA-N 435.505 1.965 30 10 IDEE CS(=O)(=O)Nc1ccc(OCCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 538039875 NBZJYQCFBKXDKG-UHFFFAOYSA-N 444.517 1.235 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2C[C@H]2CCOC2)cc1 549594763 QYYFZABKGNIIQL-XMSQKQJNSA-N 425.489 1.761 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2Cc2ccccc2)cc1 555183176 FIGSMJJMMGJXBX-IBGZPJMESA-N 429.484 1.991 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 559000379 DXOKNMTVVNIXGB-MRXNPFEDSA-N 447.565 1.272 30 10 IDEE C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC(=O)N1Cc1ccccc1 564530851 IEOOTMPLHFORFX-BEFAXECRSA-N 426.498 1.142 30 10 IDEE Cc1[nH]nc(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1C#N 571250910 AKAFNKDYFVESLE-UXBOMEJBSA-N 427.464 2.008 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2C[C@@H]2CCCO2)c1 584726509 DFGSAYGQVWPAIJ-VQTJNVASSA-N 436.516 1.823 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 610784445 XQDRUXZJXFVIIL-UHFFFAOYSA-N 448.526 1.264 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 618842820 QIKHOYYYOWVBRB-IBGZPJMESA-N 439.541 1.985 30 10 IDEE C#CCN(C(=O)Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCS(=O)(=O)C1 731839807 OPPOMCLCAJTRSB-CYBMUJFWSA-N 428.304 1.412 30 10 IDEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732441029 DXAOSIJPCZCYET-HMDOMZECSA-N 427.505 1.194 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732668960 DBSSMEBIAQESNQ-KRWDZBQOSA-N 438.575 1.222 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732698338 XQKIPKAJANKLJI-VSGPLIKPSA-N 430.534 1.703 30 10 IDEE COc1cc(OC)cc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)c1 752158156 WDPHLEUBTZBLOW-INIZCTEOSA-N 443.481 1.575 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 762413674 BNGFQWNQWDUKNV-IIBYNOLFSA-N 448.545 1.949 30 10 IDEE N#Cc1ccc(NCCNC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)nc1 781930945 QYGGXIYQIJOBBE-GOSISDBHSA-N 428.518 1.981 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCc2ccn(C)n2)C1=O 790742087 MLBSZBXNCHFVFT-MRXNPFEDSA-N 434.591 1.724 30 10 IDEE C=CC[C@@]1(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)CCCN1C(=O)OC(C)(C)C 791718644 UBYPAOVXQFIHBW-IBGZPJMESA-N 442.538 1.587 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 798798845 BLWPVMRRHDYSDK-IBGZPJMESA-N 425.489 1.374 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 804452136 CZGQSGNKUIUPLO-XRXFAXGQSA-N 430.570 1.847 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 809919167 VDUMUHQADZSSGZ-CYBMUJFWSA-N 432.344 1.286 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1 811287003 JYXASXFYZSHXCD-UHFFFAOYSA-N 449.916 1.971 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N(C)C)CC1 842181112 VJNAKTSAGXINLW-KRWDZBQOSA-N 434.562 1.467 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856590000 PYTQQRVSWQTCFP-NRFANRHFSA-N 441.507 1.931 30 10 IDEE CN(C)c1ccc(C#N)cc1CNc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 863992656 HIWURUQRZRZYGQ-GOSISDBHSA-N 448.570 1.702 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC1(C(N)=O)CCOCC1 1136197295 ZNCWZZUFPWBJLG-GOSISDBHSA-N 442.516 1.791 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1162112994 BWRNEJNDIYZRGR-UZLBHIALSA-N 438.509 1.752 30 10 IDEE CC1(C)CC(=O)NCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1196963291 ZHRSRGNZEDLSLO-UHFFFAOYSA-N 426.477 1.055 30 10 IDEE C#CCCCS(=O)(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1213133494 QRGDZIUPGHPRRZ-QGZVFWFLSA-N 429.583 1.909 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1 1213679569 FHOYOLPWEOBXCO-UFYCRDLUSA-N 435.546 1.039 30 10 IDEE CC[C@H](Sc1nc(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1)C(N)=O 1274416524 AZNYLSDDLVLCGT-CABCVRRESA-N 431.543 1.988 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCNS(C)(=O)=O 1286346749 BEGRLFDYGULVLH-UHFFFAOYSA-N 427.534 1.530 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCO[C@H]1CCOC1 1286366110 UDQQZSKUIDZJTQ-SFHVURJKSA-N 447.561 1.460 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1CC 1286414018 QFXZCSVPCNCPKR-UHFFFAOYSA-N 430.520 1.185 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)CC1 1286508363 QSUWIGDRWSKQCJ-UHFFFAOYSA-N 439.589 1.651 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1286783118 KRBPGMIZRKEZPZ-CYBMUJFWSA-N 432.912 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1286820980 WWISKDBJIYPDEI-ROUUACIJSA-N 449.581 1.433 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)s1 1297611876 XEUWRZPKXQYFIH-CQSZACIVSA-N 429.564 1.834 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1298326831 AWLUOJFJURZFDI-LJQANCHMSA-N 437.548 1.848 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 1300289943 KROGPOBLONHDPF-HNNXBMFYSA-N 431.518 1.210 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCOCC1 1300303028 GBYKFBCLUUXXJN-HNNXBMFYSA-N 435.488 1.301 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300386966 XIZCGCKICHSDBB-CQSZACIVSA-N 432.326 1.673 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1300421316 BRTBJSRTISWLJI-UHFFFAOYSA-N 438.507 1.915 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300487237 IIYWSXKGPLWRJO-OALUTQOASA-N 444.605 1.943 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1CC 1300618278 CUYDPMYNIOMEKB-UHFFFAOYSA-N 431.504 1.794 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300744865 BPGKGGYECZYWKY-SJLPKXTDSA-N 430.530 1.680 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300839280 FLVFDWYJHSBTGC-UHFFFAOYSA-N 444.359 1.105 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@H](C)C1 1301484459 GZEYRGIKOPBYQF-OAHLLOKOSA-N 433.534 1.266 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1301503291 YBJFLBZOYZNJDN-UHFFFAOYSA-N 426.912 1.745 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC)CC1 1301588111 WBYBMXDARBTZAH-UHFFFAOYSA-N 447.561 1.667 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1301593301 LQFAMHMOXPHHBD-HKUYNNGSSA-N 437.610 1.869 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)C1 1302630783 PTQNRFVXYWHUKL-ZUOKHONESA-N 430.848 1.485 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1 1302923955 GQBUBMMKKFYYHZ-UHFFFAOYSA-N 426.470 1.314 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1303435760 CJMBQVMYXVEIBO-UHFFFAOYSA-N 430.534 1.355 30 10 IDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)s1 1304355839 HYAYWWSZEMKUPK-CZUORRHYSA-N 438.579 1.768 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)c2ccccc2c1=O 1313964124 ACWLTTPZPAQKQJ-INIZCTEOSA-N 437.504 1.566 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1314561180 ALQVOVTYKKOQHU-QZTJIDSGSA-N 444.561 1.903 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1358889508 CNCTWBQKPJWPAM-HZPDHXFCSA-N 434.541 1.523 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358931880 RFWWBUWCVSKHRO-GOSISDBHSA-N 431.562 1.809 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1358960300 BFYXDIVRIAVDKR-HNNXBMFYSA-N 441.517 1.269 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCC1 1359013404 XETPDCVCAIFNBD-UHFFFAOYSA-N 435.575 1.696 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1359024253 IZZFSMQUDXQGRS-RTBURBONSA-N 437.610 1.531 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1359140460 BQZBWWFJHMZACW-UHFFFAOYSA-N 444.931 1.242 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359297988 JDHJCQSVIZGFGJ-CQSZACIVSA-N 428.497 1.141 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1360158583 BEPVNISHZFHLSS-UHFFFAOYSA-N 448.487 1.026 30 10 IDEE C#CCN(C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1442049939 OABNTEBQQGQGPP-AWEZNQCLSA-N 427.548 1.359 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1456505408 HVHVNSFAJQUYJP-SFHVURJKSA-N 437.537 1.906 30 10 IDEE CN1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)N(C(=O)OC(C)(C)C)CC1=O 1463091648 CTOKESZUFCLGEX-ZWKOTPCHSA-N 428.489 1.536 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1470230359 IMMPCHFEEDTLCA-MSOLQXFVSA-N 433.530 1.596 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 1471450745 IXXXRZYLFOARMR-UHFFFAOYSA-N 436.537 1.915 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)CC1 1477615260 RPSHYMROXAORHD-AWEZNQCLSA-N 448.467 1.268 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCSC1 1503103389 DRAJPNXQMRDVEU-FQEVSTJZSA-N 429.550 1.276 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1504883504 BDTZTSHAPLPXMC-XMSQKQJNSA-N 446.552 1.609 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1507519213 GGFFXGKRARUCSY-GFCCVEGCSA-N 428.356 1.939 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cnn(CC)c2)CC1 1507739417 HKVZIDCJMFFKOP-UHFFFAOYSA-N 432.532 1.494 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1507750696 BZYBKTDRHQIJDL-OAGGEKHMSA-N 427.596 1.070 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507840098 MDXDSCMVRPJKKJ-IBGZPJMESA-N 446.577 1.937 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(F)cc(F)c1 1508073717 LDGJXUAMAFIUDD-LBPRGKRZSA-N 442.492 1.105 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508080051 IOCIXPQCSJSNHW-UHFFFAOYSA-N 445.531 1.175 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]1c1nncn1C 1508085148 DJXBPBUNLATRHW-KRWDZBQOSA-N 436.520 1.650 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508085246 FOUFXMICDVQKCA-NRFANRHFSA-N 428.468 1.341 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508089142 VWNPUGXGAGQAHX-UHFFFAOYSA-N 449.563 1.397 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)cs2)CC1 1508090972 QSJBYMVMEKGNNW-INIZCTEOSA-N 431.566 1.566 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1508101144 VIJWNVBYILYWMY-GOSISDBHSA-N 447.561 1.477 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccon2)CC1=O 1519192427 HXWFQICUAKKBDM-QGZVFWFLSA-N 435.488 1.936 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1519371669 BPIQQWZATZNVFO-LEWJYISDSA-N 441.532 1.988 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 1526738161 SQGHFPUZOOOOCR-UHFFFAOYSA-N 446.485 1.405 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1539215594 GNDYBONGTYBDHA-GOSISDBHSA-N 442.545 1.026 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1Cn1cccn1 1539272910 GYIKWMZYHPWYGT-UHFFFAOYSA-N 427.512 1.766 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)CC1 1539447393 RMZBCLFCZXBBGI-LJQANCHMSA-N 443.573 1.187 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539533247 NCGXVYBGYKEMHA-QGZVFWFLSA-N 434.566 1.070 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1539557565 XEROLQRHEWBCHD-DBXWQHBBSA-N 433.578 1.959 30 10 IDEE Cc1ccc(OCc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)cc1 1542470567 RCLYGZVNSXGQHO-UHFFFAOYSA-N 447.499 1.789 30 10 IDEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cn1 1552830501 FMVLCZWCFDZNAS-LAUBAEHRSA-N 443.577 1.820 30 10 IDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1)S(C)(=O)=O 1554124272 FBVWSLJCOQZOMP-UHFFFAOYSA-N 446.577 1.838 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1554385762 IIORLSGGSDIVTF-VQIMIIECSA-N 426.521 1.831 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2COCCO2)CCO1 1555992013 CYRISZBZHSCVPZ-NWDGAFQWSA-N 440.323 1.913 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 1556602041 LJOKJTZWFHQVIQ-UHFFFAOYSA-N 437.465 1.174 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1)C1CCOCC1 1565106836 YCAORCHDDZKUJM-RBUKOAKNSA-N 448.564 1.668 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCS(=O)(=O)C1 1587661492 CLTMLWGSBFFNFR-IERDGZPVSA-N 427.530 1.289 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCN(C)C)cc1 1587989791 PHZBWJPREJVITH-IBGZPJMESA-N 445.589 1.628 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1588016828 WXLQNYOBIYZGAL-MRXNPFEDSA-N 433.534 1.359 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1588050290 QLVLRZQEMFZUBE-QRWLVFNGSA-N 445.570 1.869 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588054438 NQCKVXKHAIUURD-SJORKVTESA-N 433.578 1.682 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588055201 SWYUFRLJCWCFRE-GUDVDZBRSA-N 449.621 1.529 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCS(=O)(=O)CC 1589482985 MUMJEQBJSMBMON-HZPDHXFCSA-N 427.571 1.268 30 10 IDEE C=C(Cl)Cn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1593889174 CBHSFWVFXRVPBD-MCIONIFRSA-N 445.973 1.720 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1594732468 DTLPANUAAZJWHY-MSOLQXFVSA-N 437.610 1.836 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1595366571 GTOIVIUJFSQOTE-UHFFFAOYSA-N 444.517 1.780 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1595405076 BFBKUFPWTOLNBW-CVEARBPZSA-N 427.571 1.581 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1595466723 MLBDVBFOBZXZBJ-LJQANCHMSA-N 440.548 1.685 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1595753909 KKDVQGMLXJHCLN-PKOBYXMFSA-N 447.561 1.867 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1csc(CC)n1 1595789120 NFBKVEAXJIIVJH-UHFFFAOYSA-N 433.563 1.991 30 10 IDEE N#Cc1cnccc1SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1614655830 RSNLFLLYUDICCW-UHFFFAOYSA-N 447.498 1.487 30 10 IDEE CCOCc1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616803929 ZYACQCOGWYBIBI-UNEBPCJRSA-N 443.552 1.406 30 10 IDEE COCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1619821863 JTTHGMGLQHJVFZ-APWZRJJASA-N 440.570 1.168 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1620041221 CGKNZDPLNYFMPW-WBVHZDCISA-N 448.549 1.245 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)C1=O 1622074945 WWYXBEAZYMVGOV-LBPRGKRZSA-N 434.287 1.095 30 10 IDEE CC(C)OCCOC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1626336999 YTRZWGQTPMGRFM-UHFFFAOYSA-N 437.562 1.938 30 10 IDEE COC[C@@H](C)n1c(SCC(=O)N2CCN(C(=O)CC#N)CC2)nnc1-c1ccccc1 1631231420 NYXDVSOJTZAPOF-MRXNPFEDSA-N 442.545 1.829 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)c1 1631843733 JLHXHSYRWNTUII-GOSISDBHSA-N 425.466 1.486 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)C2=O)cc1 1634188336 SDHDTDMMKKYULX-GOSISDBHSA-N 446.529 1.043 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 1635882257 RDVCERKWVDHJGS-UHFFFAOYSA-N 439.403 1.680 30 10 IDEE CC1(C)OB(c2ccc3cc(NC(=O)c4cnn(C[C@@H](O)CO)c4)ccc3c2)OC1(C)C 1637074498 LKQDUJYBYGLSRA-HXUWFJFHSA-N 437.305 1.941 30 10 IDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 1637076550 JTSAOFHWPKDMSK-WFASDCNBSA-N 426.267 1.265 30 10 IDEE C=CC[C@]1(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)CCCN1C(=O)OC(C)(C)C 1637641190 BVSPUQSNHKDRTR-TWOQFEAHSA-N 428.551 1.747 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC(Oc2cccc(C#N)c2)CC1 1641734904 TUOGEAOPRKVHTO-UHFFFAOYSA-N 426.439 1.881 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c1 1642687091 MXUGYGHRYHTGNU-RTBURBONSA-N 440.525 1.243 30 10 IDEE C#CCN1CCN(C(=O)CN(C(C)C)[C@@H](C)C(=O)Nc2c(C)csc2C(=O)OC)CC1 1644360590 YIUFMCSMTDLTEI-KRWDZBQOSA-N 448.589 1.658 30 10 IDEE C#CCN(C(=O)c1nc2ncc(CCO)cn2n1)C1CCN(C(=O)OC(C)(C)C)CC1 1645458323 QUMGKXAZIGZOHO-UHFFFAOYSA-N 428.493 1.134 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1nc(C#N)cs1 1647980473 ZLGZVXCZYQNWRL-CQSZACIVSA-N 440.934 1.518 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@@H]2C2CC2)CC1 1660356822 AVGJVAKCJGUCBS-LEWJYISDSA-N 448.564 1.434 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1670200454 LMRZBFDUXNZLDP-UHFFFAOYSA-N 449.298 1.653 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(OCCOC)c(Br)c2)CC1 1671635222 RXGSVNPHAGRPDF-UHFFFAOYSA-N 431.352 1.850 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)C1 1681433304 FSCUGBDXUOQCNJ-XHSDSOJGSA-N 438.525 1.460 30 10 IDEE O=C1C=COC2(CCN(C(=O)NCCNS(=O)(=O)c3ccc(Cl)cc3F)CC2)C1 1681716128 SMGLKOTVQQHWKT-UHFFFAOYSA-N 445.900 1.805 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)C1 1682384777 KUNVMWPVVUSUCZ-JOCHJYFZSA-N 425.489 1.626 30 10 IDEE C#CCN(C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1684179897 LDUZMYDGAMWYOG-RPVQJOFSSA-N 425.457 1.069 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1689930696 XQHSERJVXCCZIK-IBGZPJMESA-N 439.564 1.965 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1689937215 SFUSPIFTINXBII-UHFFFAOYSA-N 426.546 1.838 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689979819 HZOKCVWPDMBSBD-QZXCRCNTSA-N 426.608 1.504 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(=O)N(C)Cc2ccccc2)CC1 1690129034 NEPMORCDOWXOBJ-UHFFFAOYSA-N 443.555 1.678 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1690299626 ZUCRKBMUPVQXEZ-UHFFFAOYSA-N 443.527 1.968 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690469340 MAOXSBAYYRPKNX-LJQANCHMSA-N 445.612 1.906 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CC2)C1 1690699481 FTVHBFCVIAJNMP-SJORKVTESA-N 439.582 1.583 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1692562844 GOMFWDXLGBDHFI-KRWDZBQOSA-N 430.534 1.213 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1692669558 SHVZJPQRPABLSR-VQIMIIECSA-N 447.547 1.919 30 10 IDEE Cc1occc1CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692930983 LOXJFBDQDZBWQN-OSCRUYLVSA-N 426.477 1.846 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1693850315 ARVLEZVPVXQKLO-RLBWVDARSA-N 433.472 1.568 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CCOC1 1696052108 FEUZDSOABGHAGF-DUXKGJEZSA-N 434.516 1.631 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1696061850 YIKUNYORUDNJDD-APMZBBCHSA-N 444.536 1.549 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)C1[C@H]2CCC[C@H]12 1696647738 WRKFQTGGRKSWAL-ROUUACIJSA-N 444.561 1.903 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1697679681 LLZBUTORHQJYFY-KDDVOAFDSA-N 437.504 1.728 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1698060514 BOZTYKRJWRTYLQ-INIZCTEOSA-N 425.555 1.506 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1705478211 XZUBMDVPCSUTCV-DLBZAZTESA-N 446.577 1.231 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705598694 OYUBVOOIVYTMMD-ZCNNSNEGSA-N 445.589 1.449 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)NC(C)C)n2CC(F)(F)F)n1 1705631068 QVPNKBGBCLAJHY-UHFFFAOYSA-N 427.431 1.461 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1705717877 UGZHSXJPRRXNST-APWZRJJASA-N 427.571 1.583 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705741068 FIWJUXZBSABYRL-BURNTYAHSA-N 449.596 1.752 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1705843735 MOKGBHKLIBUESX-LPHOPBHVSA-N 441.623 1.010 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705896443 MYLIQPPWPHRFRY-PZJWPPBQSA-N 449.559 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2CCOC[C@@H]2C1 1705937235 NHCKFDMXULOTDC-KRWDZBQOSA-N 437.591 1.052 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)CCOC1 1706678344 DRPIYUMYOHOKJV-CNNODRBYSA-N 449.552 1.633 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCOC3)n2CCOCC(F)F)CC1 1712881873 MTRUZCVLRRNEMU-INIZCTEOSA-N 433.463 1.657 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722360703 IVKSXRISFCZZTC-GOSISDBHSA-N 430.578 1.697 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1722380131 FCKFBQGBDCIBGC-XDHUDOTRSA-N 446.511 1.288 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cnnn1 1722411276 BYCRWMJAOLVULK-UHFFFAOYSA-N 443.556 1.929 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722476696 FRCLRIPMUPRIQL-CQSZACIVSA-N 427.347 1.630 30 10 IDEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722536737 ZOQYKBKVYKTYMZ-UHFFFAOYSA-N 449.577 1.840 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCOC2)C1 1722626923 JVNNAVBSFYXANS-OAQYLSRUSA-N 447.561 1.858 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@@H](C)C1 1722727002 DNYXZMRHFSVXDQ-BZUAXINKSA-N 430.596 1.263 30 10 IDEE CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)SC 1727136987 DKLBYRQHWHOTLG-KBPBESRZSA-N 430.600 1.539 30 10 IDEE CCN1CCN(CCCCn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1 1728634642 RSDGWUQYOMMTBD-UHFFFAOYSA-N 437.596 1.598 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1729079701 TUKJAHSDUUGYBX-NRFANRHFSA-N 440.548 1.800 30 10 IDEE COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1730586480 UPSKMDVYPWWSEY-PBHICJAKSA-N 437.460 1.678 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1=O 1730777670 HOYQSLYUJRAQPD-SJLPKXTDSA-N 442.495 1.232 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740624389 GEBNWXFYRSLUAN-KRWDZBQOSA-N 432.546 1.275 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1740645924 NHZLWBMHBPDWEH-PKOBYXMFSA-N 429.546 1.739 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(N3CCCC3=O)c2)CC1 1740706044 QNIDIDFCOOLVQK-UHFFFAOYSA-N 434.544 1.981 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740788838 YBNJCUMRSAFXSY-IAGOWNOFSA-N 441.598 1.612 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740857263 IWHHEBMHRRMJFY-IBGZPJMESA-N 443.596 1.613 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740885500 IKGCGZRVSZPUAC-DOTOQJQBSA-N 444.540 1.397 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740885758 NMUZUACEZDEPFU-CVEARBPZSA-N 425.555 1.225 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1740960988 IQSCIDLYUPXBQX-IBGZPJMESA-N 437.548 1.070 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2NC(=O)CC2(C)C)C1 1740983894 RUHUVWZCUBJWMJ-ROUUACIJSA-N 427.553 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)COC(=O)N2 1740991464 XCHCGIYQWPKIQY-HNNXBMFYSA-N 439.538 1.199 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1741000785 GPVHGUDGNCKBLO-HNNXBMFYSA-N 442.611 1.057 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1746590195 CGBROJVKGYFLHM-KRWDZBQOSA-N 440.504 1.969 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1748196777 XSTCYOIRLYNANF-UHFFFAOYSA-N 437.548 1.941 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1748571909 IBIQFBFQMVEHKE-LEWJYISDSA-N 428.468 1.883 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1748816146 XOYCMEBLVAHNNE-HOTGVXAUSA-N 433.559 1.274 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1OC 1748887930 JHGJRFRTZXFTBZ-UHFFFAOYSA-N 449.515 1.822 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccccc2Cl)CC1 1748971189 GORUDMNROWPGGE-QFIPXVFZSA-N 444.967 1.733 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)C(C)(C)C)CC1 1748987314 SZBAMWTXAHYCQN-UHFFFAOYSA-N 430.578 1.617 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(C)(=O)=O 1749072486 OYWJYWOLWVULHU-OAQYLSRUSA-N 426.546 1.892 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1749729319 GVGUWPVSUGIJEK-UHFFFAOYSA-N 449.552 1.990 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1760117465 PELRWXQRACCNGC-GDBMZVCRSA-N 447.527 1.912 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760183408 OWKBJIIVLVFZMG-AZUAARDMSA-N 439.541 1.870 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1760243843 HNCVZAKIQYINGB-GOSISDBHSA-N 438.326 1.284 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCCNC(=O)c2cccc(O)c2)CC1 1760263823 QDDMMWKYJZZMGH-UHFFFAOYSA-N 426.521 1.096 30 10 IDEE C=C(Br)Cn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760313487 BPJFHIGSBYXEPS-VBQJREDUSA-N 429.315 1.789 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O)[C@@H]1CCSC1 1768539192 HDEUZVLCEWMGMQ-QGZVFWFLSA-N 435.575 1.820 30 10 IDEE COC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)OC 1769235859 RYFLDGLXEGIDRH-KGLIPLIRSA-N 439.314 1.436 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCC(C)C)CCO1 1769240218 DSOIJYDSPZNIPA-IBGZPJMESA-N 426.521 1.831 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1769698058 HNJPTIUVJUVLIL-LJQANCHMSA-N 439.520 1.426 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)n1 1851333624 MSJRBVXFYKFOQN-UHFFFAOYSA-N 440.529 1.485 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CCCS(=O)(=O)c3ccccc3)CC2)nc1 1853070232 NOJPPGHOHYBXOD-UHFFFAOYSA-N 442.541 1.873 30 10 IDEE COc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858323044 YWIBPOSDCLFXBT-MRXNPFEDSA-N 435.527 1.617 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)Nc3cccc(C#N)c3)C2)cc1 1858375764 FLYAIFGBVDLTRC-KRWDZBQOSA-N 426.498 1.909 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1C)C2=O 1861530843 NRKJKPNRMKRXSC-UWJYYQICSA-N 447.491 1.982 30 10 IDEE C=CCN(CC=C)C(=O)[C@@](C)(CC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862130940 ATQFKFIGEQUABR-HSZRJFAPSA-N 447.532 1.928 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CC[C@H](N)C(=O)O)sc2c1 1866020390 OBSBMXIHXBPLNQ-ZDUSSCGKSA-N 438.531 1.790 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1OC 1874435477 JDJCNDUUDBLVFU-UFFVCSGVSA-N 435.506 1.859 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ncccc3Br)CC2)CC1 1889257779 NCCTWHIDKWPWAE-UHFFFAOYSA-N 435.366 1.716 30 10 IDEE O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCC#CCN1CCOCC1 1891101561 SZCMHFZWCWKRLV-QHCPKHFHSA-N 435.524 1.245 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(C#N)cc1 1892001015 SZNVUCZQJHRGPN-MNEFBYGVSA-N 435.571 1.503 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)C1 2213497489 IFYPWIJVXUHURY-QLFBSQMISA-N 441.525 1.057 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243407365 QHPOPTQPQCCMCG-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248402433 WZIUBWBRVJKTIL-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C 2248402776 ATHSLSSEBXFVTP-ZDUSSCGKSA-N 440.371 1.858 30 10 IDEE CCC1(NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255541670 FXPCIDJKODBBJB-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608775 PAXDGCWXASVBBV-WBVHZDCISA-N 425.342 1.365 30 10 IDEE Cn1nc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)cc1B1OC(C)(C)C(C)(C)O1 2255624196 VYKSUEANUYVWFA-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2255835740 YEGZEGYGTMLCTA-KBPBESRZSA-N 436.314 1.597 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255870780 ODLUIQUBWYSBHM-LSDHHAIUSA-N 433.314 1.403 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256729436 ROCSMMKTPUHGKT-ARFHVFGLSA-N 438.330 1.118 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267271113 PZUJQDOKTPVKDJ-IAGOWNOFSA-N 447.341 1.745 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCc2cnn(Cc3ccccc3)c2)n1 2267501040 RTRKPQPAPMUPTN-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@@H]32)n1 2267503324 BRZPDNCUCCCNPS-HOTGVXAUSA-N 446.357 1.943 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267576907 QICNYRNQOKIQDF-BFHYXJOUSA-N 447.345 1.100 30 10 IDEE COCC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267870329 CQPYRCFVBIIEKZ-UHFFFAOYSA-N 448.329 1.142 30 10 IDEE C=CCC1(CO)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2287685390 GPYHRWBHYMHBRW-KRWDZBQOSA-N 440.518 1.346 30 10 IDEE C=CC(C)(C)[C@]12C[C@H](O)C(=O)N3C(=Cc4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 2294829648 HHLNXXASUKFCCX-NMNUPHIUSA-N 435.484 1.659 30 10 IDEE C=CCN1C(=O)C(=Cc2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2295998965 SJDHYYOCYFUGRR-UHFFFAOYSA-N 432.527 1.503 30 10 IDEE CCn1c(N2CCCC2)c(C=C2SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 2314460570 CTNWAUTWNKSAAP-UHFFFAOYSA-N 432.527 1.934 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)CN2C(=O)OC(C)(C)C 2337291472 GRVVPHOXXGBCNM-CABCVRRESA-N 446.357 1.801 30 10 IDEE CN1C(=O)C[C@@H](S/C(=N/c2ccccc2)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 59489312 OHUIVXWLIWRNQM-QGZVFWFLSA-N 446.554 1.644 30 10 IDEE C=CCS(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)CC)CC4)C1 100234671 WJJGNWPJFAJZFK-CQSZACIVSA-N 433.534 1.425 30 10 IDEE C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 109938610 SXGCNSYIHRGDCV-MGPUTAFESA-N 427.486 1.119 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 219985410 JXTCOKSWRJOPLW-OAHLLOKOSA-N 425.470 1.026 30 10 IDEE CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C(F)(F)F)n1 435392235 VSYBOKLLCXFTBE-UHFFFAOYSA-N 441.435 1.940 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1csc(N2CCCC2)n1 465283061 FSNZQMFAYDPWSU-OAHLLOKOSA-N 426.550 1.868 30 10 IDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481218738 OREKIFCZPWHLCI-HZPDHXFCSA-N 434.562 1.624 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 500895372 UWVFZKGVBPQKEK-ABHNRTSZSA-N 435.550 1.709 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)C1=O 504493809 BGQXCACBLCCJKF-DUVNUKRYSA-N 427.457 1.358 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508889747 UTHOVAYJEPFDDG-MRXNPFEDSA-N 431.566 1.509 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508999364 PJVRCQRJZKRZGW-UHFFFAOYSA-N 431.566 1.056 30 10 IDEE CCc1c(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 513782207 ATAMJDXKFBELST-UHFFFAOYSA-N 429.440 1.504 30 10 IDEE CS(=O)(=O)N1CC[C@@H](CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 514127492 VSYDSDJDMOARQJ-YJBOKZPZSA-N 441.395 1.913 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccnc2-n2cncn2)CC1 518723888 SXPJWTDKXOZFNK-UHFFFAOYSA-N 438.473 1.072 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 532799881 AIUCJAKNCQNFAS-UHFFFAOYSA-N 425.558 1.265 30 10 IDEE N#Cc1ccccc1-c1ccc(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 540309961 ZKROSWKPEWGKPO-UHFFFAOYSA-N 447.539 1.911 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CC2)n1 546876883 ZIWLTHJYCIHJAA-UHFFFAOYSA-N 445.570 1.691 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccco3)n2C[C@@H]2CCCO2)CC1 559100285 MKXGNNXLUNLVEI-IBGZPJMESA-N 428.537 1.260 30 10 IDEE CCOC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 562092802 YZCQOKNGNPDLTP-SFHVURJKSA-N 429.498 1.375 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 590046739 AGIYAMRVPVNNQX-LJQANCHMSA-N 425.514 1.455 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2noc(C(F)F)n2)CCC1 590432062 FWAAFWZIKIUAFS-SNVBAGLBSA-N 425.417 1.741 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 610643750 FZBYMTRZHVLDEF-GCJKJVERSA-N 426.521 1.352 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 612082234 LPYWRUGYJCEFRP-UHFFFAOYSA-N 448.570 1.609 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccnc2)c1=O 727814114 KBFVVMKBCWLVQU-UHFFFAOYSA-N 447.564 1.770 30 10 IDEE C[C@@H](c1cccc(F)c1)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 729251058 MINGQGFCRYZOQG-HNNXBMFYSA-N 430.505 1.770 30 10 IDEE C#CCN(C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 729331431 NCQCINWGIZZBBH-QGZVFWFLSA-N 432.571 1.934 30 10 IDEE CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732707068 UCOOHKDPUUSDJW-SFHVURJKSA-N 447.561 1.042 30 10 IDEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(C#N)cc1 740177215 BHZSUJCOAKBDIF-HXUWFJFHSA-N 444.465 1.887 30 10 IDEE N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 748577201 NLCKVJPDMMFDJN-ZROIWOOFSA-N 439.493 1.860 30 10 IDEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 760628268 QSBBOVKKBRINTK-QGZVFWFLSA-N 444.513 1.191 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCN1C1CC1 768720788 IFCLBGMGBZUVAT-FQEVSTJZSA-N 425.533 1.689 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 780055514 HHPCDTDVSQZILN-BUHFOSPRSA-N 428.779 1.523 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)n1 789204794 WUNLKSDNDOAMSD-GOSISDBHSA-N 432.546 1.845 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CC[C@]3(CNC(=O)C3)C2)c(C(=O)OCC)c1C 789358788 VOGFGSDBIDHEGA-NRFANRHFSA-N 449.529 1.727 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 789889566 NYYYXGJWUQBTHJ-QHCPKHFHSA-N 432.484 1.378 30 10 IDEE C[C@@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 799866083 TYROBLFQJOSAFT-GXTWGEPZSA-N 443.570 1.222 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837507539 KVPNOGPXCHAESV-UHFFFAOYSA-N 436.541 1.176 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)COc1ccc(C#N)c(Br)c1 1136069595 IFFDSZAQNJDFJW-UHFFFAOYSA-N 440.275 1.994 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C1CC1)C1(CO)CCOCC1 1143888197 JBJZREGBOJQNEZ-IBGZPJMESA-N 435.546 1.189 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1155359229 NBSZBORIQNKRID-UHFFFAOYSA-N 425.507 1.663 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 1160894405 BTOLBEPBCJVCCN-HYVNUMGLSA-N 432.546 1.554 30 10 IDEE Cc1nnc(N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c(C#N)c1C 1163978852 DFUFZEQPCWUBNS-OIISXLGYSA-N 428.493 1.984 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)CC1 1194096060 ANUMBDVMSPMXBS-UHFFFAOYSA-N 427.935 1.267 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](c3cc(O)nc(O)n3)C2)CC1 1195693812 ALQUUDVVFRIDHJ-ZBFHGGJFSA-N 428.518 1.148 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1211664834 YPMMBBAETAUWIR-MSOLQXFVSA-N 440.518 1.451 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)n1 1211732097 YWLGUCNCBXBPLL-UHFFFAOYSA-N 445.950 1.411 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1 1225849186 YHRFZBZTLSJFEP-UHFFFAOYSA-N 434.440 1.009 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1234635891 DCVUYFVASQUGNX-OKZBNKHCSA-N 434.537 1.421 30 10 IDEE C=CCC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1248543817 PKAZCILPZBMQNG-ZDUSSCGKSA-N 434.356 1.662 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCNC(=O)c1ccc(Br)cn1 1278959846 HVBCIDPERPZHFY-SFHVURJKSA-N 439.310 1.952 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC(C)(C)C1 1286370434 LPEDITHHOKCWPJ-UHFFFAOYSA-N 445.593 1.418 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCC[C@@H](C)C2)CC1 1286491210 ISSLOJCYTRLRRU-HXUWFJFHSA-N 449.603 1.962 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286515413 YLZBDROSAYOOQH-ULQDDVLXSA-N 442.607 1.382 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286516725 LEENENWXHXUPND-FEHORTKBSA-N 437.566 1.219 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1286786751 YTUNLYUCCSRFMN-MRXNPFEDSA-N 425.449 1.002 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1286818984 VPULFFUJAVZWAB-GOSISDBHSA-N 444.565 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1286819448 LCXVRCRIHAUESR-UHFFFAOYSA-N 446.577 1.554 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286951341 VKMAVFNANCMFSP-DYESRHJHSA-N 437.548 1.500 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1291248205 NVBDURZPENHGDF-LTCJTPMSSA-N 430.509 1.661 30 10 IDEE N#Cc1cn(CC(=O)NCc2cc(Cl)cc(I)c2)c(=O)nc1O 1299772043 OKEPAROBMTWBRT-UHFFFAOYSA-N 444.616 1.395 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1300403339 IAABBONUVIGQLN-HNNXBMFYSA-N 429.550 1.319 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300404402 VVWVRWDVCJRZIU-NQIIRXRSSA-N 438.580 1.471 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1300421851 TZKLTXFCPYHQLA-UHFFFAOYSA-N 440.470 1.709 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1300498433 KDYDOLJEWIQIBW-LJQANCHMSA-N 443.573 1.329 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300501337 JVBBGWOMUMKEPH-IAGOWNOFSA-N 436.607 1.518 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1300504652 POZXTAXYLIIUGE-INIZCTEOSA-N 434.518 1.204 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCCC1 1300673483 LYCCZSCMJVPACM-UHFFFAOYSA-N 431.562 1.707 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1300681552 TXIRWZURFBUDCA-LJQANCHMSA-N 441.605 1.634 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300723573 WJVSTOCALVSCHF-HXOBKFHXSA-N 438.532 1.154 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](OC)C1 1301483791 WRCPHJRKMSBRCJ-MRXNPFEDSA-N 445.520 1.888 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301483874 XLVXOISJQHRMRB-UHFFFAOYSA-N 447.561 1.659 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1301492935 RSULAHXOGLXTQD-HNNXBMFYSA-N 440.504 1.076 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1301524995 FKARUFGAOMRBQQ-IEBWSBKVSA-N 427.505 1.346 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1301524998 FKARUFGAOMRBQQ-MJGOQNOKSA-N 427.505 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1301568516 UBHYYRVQOXLEFC-UHFFFAOYSA-N 442.545 1.623 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)F)C1 1302978796 LTSRVQLPYOTODH-SFHVURJKSA-N 428.365 1.970 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1303394407 AMZASJCVNSTKKU-QZTJIDSGSA-N 435.546 1.994 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1309447778 LWWZBZNSCAXGPT-ZRNYENFQSA-N 438.546 1.923 30 10 IDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C1CSC1 1310457173 WTUTYOIHYUSFPO-UHFFFAOYSA-N 438.575 1.356 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1358961477 ZWWMLZKTDIBRTN-QGZVFWFLSA-N 446.577 1.815 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358967480 LESRNULOSXBQMM-ZIAGYGMSSA-N 440.476 1.396 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccccc2OC)CC1 1359034322 LSFAUWUNCZTOCO-GOSISDBHSA-N 433.516 1.966 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1359084398 GHUCENCPKPVWGJ-ZDUSSCGKSA-N 431.356 1.706 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCC(=O)NC 1359089092 BHVRYXHMTWEDJH-CRAIPNDOSA-N 427.509 1.479 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359094158 XPJFGPHMVFYBKP-PXNSSMCTSA-N 429.525 1.625 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1359570467 DKFNRGLTRCSSBO-JLTOFOAXSA-N 435.504 1.976 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCSCCCO 1359718174 VABQCMINHMOQJC-MRXNPFEDSA-N 430.582 1.894 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CC1 1436235892 WGFMLRUTBLNMTB-OAQYLSRUSA-N 442.472 1.076 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1446629516 IFWDQDZVIVHQOJ-UHFFFAOYSA-N 437.522 1.127 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1449476482 AOGGKRVZSGOARQ-HZPDHXFCSA-N 442.459 1.966 30 10 IDEE COc1ccc([C@@H](CO)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1451107180 KPKKMQYGHIVNOZ-YLJYHZDGSA-N 436.468 1.664 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCc3c(CC#N)cccc3C2)C1=O 1460564865 DOCKOGLDVNEMMJ-XMMPIXPASA-N 431.496 1.999 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1465278441 LAPLEQYXYUPQLZ-CTNGQTDRSA-N 433.574 1.101 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 1467897561 IYXZQXPHZRSPDQ-UHFFFAOYSA-N 448.467 1.060 30 10 IDEE N#Cc1cncc(CNC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)c1 1471967596 NBJKNJBYHIFUSN-UHFFFAOYSA-N 429.683 1.947 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1503889592 OKBYWYJYZFCCRK-UHFFFAOYSA-N 439.520 1.867 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H](C)C#N)CC1=O 1504906172 PPNCEGGTKHJGQH-ZBFHGGJFSA-N 431.566 1.725 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1507515786 INPJZTGHEQAWGP-OLZOCXBDSA-N 449.968 1.935 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1507519432 ZZLHNPMLYZTJEG-ZIAGYGMSSA-N 433.534 1.902 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCCN2CCC[C@H]2CO)CC1 1507737889 CQANFBOZNBFPRK-NRFANRHFSA-N 442.608 1.748 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507782537 JHBRPEQQIRAYPK-SFHVURJKSA-N 434.342 1.945 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1507844184 DLLZUCYBAMLUFP-QGZVFWFLSA-N 448.568 1.922 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1508093803 WHRFIJLWQRLGOP-HXUWFJFHSA-N 435.532 1.965 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1508137995 URVBVWOPMLWWSZ-HNNXBMFYSA-N 444.561 1.738 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1513248072 XTKVIDZSAGIMEU-OALUTQOASA-N 447.561 1.610 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1519357819 OZKMJIWLEGIJLI-IBGZPJMESA-N 426.521 1.973 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4sccc4CC#N)CC3)C2=O)n(C)n1 1522239982 XCBMZKVPNQPTKL-QGZVFWFLSA-N 426.546 1.810 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1538991925 HCWRNACCJKLAKW-OAHLLOKOSA-N 437.504 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1COCCO1 1539306387 HKGBWXHLYLSCSX-HXUWFJFHSA-N 432.488 1.189 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccc(F)cc2)CC1 1539430889 NKCWGQSHTWLGRQ-IRXDYDNUSA-N 448.568 1.586 30 10 IDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1539497141 HECGSIRSGOOQER-GASCZTMLSA-N 438.351 1.974 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539519241 GPTBRJHNJFTCID-KRWDZBQOSA-N 425.624 1.847 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1539578666 BFYJKRCDFKNFCW-CYBMUJFWSA-N 447.403 1.471 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539612045 GWMFWPPFFZPUJR-IHRRRGAJSA-N 449.371 1.534 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1540072229 ROZRUGQSSQMOPL-KRWDZBQOSA-N 448.568 1.874 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCO1 1540868558 JHBJHELRQVHRTH-OAHLLOKOSA-N 447.565 1.156 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540903179 AAWNHIIHBBPGNZ-IBGZPJMESA-N 425.555 1.498 30 10 IDEE Cc1cn2nc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)cc2c(=O)[nH]1 1541080439 HPOWKQDWVQUWEC-QJOMJCCJSA-N 428.474 1.396 30 10 IDEE CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)[C@@H](C)C#N 1542530511 GPZQOTHUAIBNCC-JTQLQIEISA-N 435.287 1.916 30 10 IDEE 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CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](F)(C#N)C1 1748291705 FNVYWANZERHJPK-QGZVFWFLSA-N 442.904 1.598 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](CC)OC)CC1 1749008873 HVLUVRCQXNCZJZ-INIZCTEOSA-N 442.520 1.397 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1749103428 VUQCPPKFKJJXGK-AWEZNQCLSA-N 428.331 1.376 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)S(=O)(=O)CC)CC1 1749323758 LEXXQJPTBIFWDD-UHFFFAOYSA-N 438.598 1.588 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1749598097 RLVLQPHUXTUKIT-INIZCTEOSA-N 440.504 1.246 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1749738124 GGFNEMQCLMKFFM-UHFFFAOYSA-N 445.589 1.769 30 10 IDEE COCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749850353 MSHYEKCXPPMALN-OAQYLSRUSA-N 428.493 1.500 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)(C)C 1760102061 DQWHGYJZMGVUKQ-OAHLLOKOSA-N 431.562 1.969 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1760155253 UQAVMNKBGADFAW-SJORKVTESA-N 430.509 1.729 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760188832 MZZJHRDXLGFKMA-MSOLQXFVSA-N 444.561 1.711 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1760257535 YSBNWKRDTVLASS-CYFREDJKSA-N 439.560 1.787 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 1760267831 BYNGOXJOQMGWIR-UHFFFAOYSA-N 437.548 1.611 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1760361953 XCOPULJMUJFGSV-NHCUHLMSSA-N 435.525 1.554 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760464145 AQCIBDRUHZHOIN-HZPDHXFCSA-N 446.581 1.303 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760493357 BSDNDIMYZYOWDF-MRXNPFEDSA-N 441.536 1.662 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1Nc1ccn(C)n1 1760557081 ZRHBPMOFALSMQP-UHFFFAOYSA-N 426.506 1.595 30 10 IDEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760679396 LZSZFQCXRLICST-UHFFFAOYSA-N 449.494 1.599 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1760693054 GIBFFMKZXTZNGH-YZGWKJHDSA-N 437.548 1.899 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)N1CCOCC1 1761395719 GUIDILYHWDFREI-HKUYNNGSSA-N 437.548 1.629 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1765031129 CTPYSJHUGTZEDT-NSBOWFCGSA-N 427.509 1.380 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1767424258 SSTDQJWGHNCWPH-NRFANRHFSA-N 442.545 1.308 30 10 IDEE CO[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1768225986 BLFYNOLMAUTAQP-GHTZIAJQSA-N 445.545 1.494 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1770728623 RTBQJSDVOWQAMS-HDMKZQKVSA-N 446.449 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1772660425 VZUBXXLAEDFSRH-UHFFFAOYSA-N 438.517 1.338 30 10 IDEE COc1cccc(C#CCNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 1850361802 YAFJINIKELZRQF-UHFFFAOYSA-N 431.514 1.869 30 10 IDEE COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCO[C@H](C#N)C3)Oc3ccccc32)cc1 1852444716 WZJOHRKTKONPAQ-UZLBHIALSA-N 443.481 1.402 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)C1 1853772625 ZXHBPWJLZFMZPT-UHFFFAOYSA-N 433.873 1.894 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1=O 1856804599 BNCTWGPMIHPEEU-MSOLQXFVSA-N 430.482 1.722 30 10 IDEE COc1cc(C(=O)N[C@@H](CO)C(=O)N[C@H](C#N)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867807100 SAZSVDATJMZICF-CVEARBPZSA-N 442.428 1.392 30 10 IDEE CCn1c(C2=C(N)N(CCc3ccc(S(N)(=O)=O)cc3)CC2=O)nc2ccccc21 1872731117 VTYLGECCEPWYJP-UHFFFAOYSA-N 425.514 1.458 30 10 IDEE Cc1nn(C)c(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1890953905 BUCDHFOTAHCBLY-CHWSQXEVSA-N 427.347 1.936 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C1 1891275178 ICNCGIDXAQAPKA-OAHLLOKOSA-N 437.525 1.963 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1892108152 IAXCBJZVQRGVTP-MRXNPFEDSA-N 435.440 1.219 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1984789096 RRWQBDSOBADRPK-UONOGXRCSA-N 427.498 1.777 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988627852 SRBSCYARNYDUKK-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124515350 JRCNOZYKTAIANZ-YJBOKZPZSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243388410 ASPZRUHIGDTCSG-LLVKDONJSA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247906470 NUYGSGIQQZIRQB-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2248401945 PWXVHVDYHYJRTK-CQSZACIVSA-N 440.371 1.891 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822724 OTYQNMKUNQPPMP-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255828215 REIAPLWXDDYAFG-JQWIXIFHSA-N 430.236 1.381 30 10 IDEE CN1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](CNC(=O)C(F)(F)F)C1 2255854642 FFTXFGPZPZSDBM-IHRRRGAJSA-N 433.280 1.680 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2256040165 UZBWWVCYTSEYSH-MRXNPFEDSA-N 433.358 1.986 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129286 ZGEPMNWNFVAPKV-CABCVRRESA-N 448.373 1.952 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2267182027 AMDXQZFYBSDOOY-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2267274373 ZMGDFWFFCWELOY-IAGOWNOFSA-N 447.341 1.481 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)nc2)OC1(C)C 2267549533 MWWGAFJCQPVKRO-ZDUSSCGKSA-N 442.247 1.449 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267805969 QFHQBNHLKCSPKL-HZPDHXFCSA-N 448.325 1.713 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2334264127 LOHCFYLMRMDJJL-FMKPAKJESA-N 446.357 1.705 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2340993998 CZJQPHQFZKXJLW-MELADBBJSA-N 447.345 1.242 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)c1 23289057 QPRIZECCULSYBB-UHFFFAOYSA-N 427.549 1.027 30 10 IDEE NS(=O)(=O)c1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)cc1 39843627 KCNZWYIVNBVPFL-AWEZNQCLSA-N 449.470 1.490 30 10 IDEE COc1cccc(CN2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254873565 COWITFFQWCTXCF-HUUCEWRRSA-N 426.516 1.547 30 10 IDEE CCOC(=O)c1cc([P+](C)(N2CCOCC2)N2CCOCC2)c(N=CN(C)C)o1 263621662 SUTQAQCGMDQKHX-UHFFFAOYSA-N 427.462 1.445 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)C2=O)cc1 428486640 XHAUNKVIUDGJEQ-GOSISDBHSA-N 447.499 1.713 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 461073509 IREQHDOCMMWCNU-SFTDATJTSA-N 449.559 1.739 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO1 461089585 QRRCAZRFTSXXEU-HKUYNNGSSA-N 445.531 1.820 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475322755 RXAHMOPLTQMRIS-HXUWFJFHSA-N 430.461 1.725 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C(C)(C)C)cn1 479815985 REUKJNZWRFUBJF-WIYYLYMNSA-N 435.532 1.724 30 10 IDEE N#Cc1ccnc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 493245416 BNMGNJPUKAAIQZ-UHFFFAOYSA-N 428.470 1.261 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3cc(C#N)ccn3)CC2)cc1OC 498232315 ASRUCURMWLQGEI-UHFFFAOYSA-N 444.513 1.801 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 501202624 KKRJZYIBVCCVRZ-AWEZNQCLSA-N 437.903 1.214 30 10 IDEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 503330287 GANUNIDOSAYFOV-ROUUACIJSA-N 448.527 1.854 30 10 IDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506756043 HXTQHHGBWXGEAP-IBGZPJMESA-N 431.555 1.147 30 10 IDEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508887135 HSNHTYFVTFWTLS-UHFFFAOYSA-N 436.538 1.256 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN(C)c1ccccc1 549639386 KVXQPFCXFUCTSW-IBGZPJMESA-N 448.593 1.760 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)CC1 560725776 LRVHICQRHAHQBF-UHFFFAOYSA-N 426.473 1.516 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1F 597172039 YQDPUWYVHIWOTD-UHFFFAOYSA-N 427.501 1.318 30 10 IDEE CN(Cc1cccc(C#CCCO)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703975114 TZKBCXUADOAWBU-UHFFFAOYSA-N 426.494 1.478 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C2CCN(CCC(=O)N(C)C)CC2)C1=O 731485812 BERQKIGQELBPEF-SFHVURJKSA-N 445.589 1.697 30 10 IDEE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732152772 AOOCSMOIGUMCTD-FREJTVJASA-N 442.560 1.986 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 754132501 BFOSZNYISWRCQW-SHYRYGCCSA-N 425.507 1.805 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ncccc2Cl)C1 758310182 ANLKKOVQRJBKCY-ZDUSSCGKSA-N 433.921 1.559 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 769721639 ARCJYPAMSTVVKI-MPTQWLOMSA-N 449.257 1.787 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nsc(N(C)C)n1 771310021 ANNGEGRFYAAYLR-ZDUSSCGKSA-N 437.547 1.945 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 780853780 CTFBDBAFFOKDFE-GOSISDBHSA-N 443.510 1.129 30 10 IDEE CN1CCC[C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)[C@@H]1c1cccs1 787775233 BTXQBANIIOYNLA-SJLPKXTDSA-N 426.546 1.742 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 794607634 BZCPPBSSUHTACF-KRWDZBQOSA-N 431.473 1.862 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCCC2)[C@@H]1c1cncn1C 796823737 MDLDJATVOZKLGM-CRAIPNDOSA-N 435.550 1.640 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 802497815 WWYVCCPGJNTTNL-PXNSSMCTSA-N 426.521 1.532 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 812361030 YXPYUDCBXNUFJF-QGZVFWFLSA-N 433.559 1.184 30 10 IDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4ccccc4Cl)n3)[nH]c2n(C)c1=O 1084468727 NUOZIBBKACFJIW-UHFFFAOYSA-N 431.869 1.329 30 10 IDEE C=CCn1cc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)nn1 1126589102 NHTYOAKVWDODCG-UHFFFAOYSA-N 426.449 1.391 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)cc1 1154323566 GXSJDNJORKXHRR-HTAPYJJXSA-N 447.557 1.927 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1154387031 OVMRKAMIKHGJKY-YCRPNKLZSA-N 432.525 1.009 30 10 IDEE CCOC(=O)Cc1cccc(N(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1159244151 BKDHBEXVTVRKSW-HNNXBMFYSA-N 429.498 1.994 30 10 IDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)S1(=O)=O 1160518690 GFYFPBZGHNIMNB-MUVJSTKWSA-N 425.551 1.807 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1179088142 NPSZZXZVBYSYCE-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CN(C)CCn1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1-c1ccccc1 1179651671 NKBOKRWCKYSMRZ-LAUBAEHRSA-N 427.530 1.122 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(S(C)(=O)=O)[C@H](C)C2)n(Cc2ccco2)c1C 1196114049 LBHKEHGYAYGZNY-CQSZACIVSA-N 433.534 1.522 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C1CCOCC1 1213181432 HWPLTXMHBYIECC-OAHLLOKOSA-N 430.320 1.871 30 10 IDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC2=O)cc1 1266190661 FPJDPXCENFNZJM-WBVHZDCISA-N 447.499 1.397 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1286387951 JEVRTILSLGVRBH-IAGOWNOFSA-N 446.529 1.726 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1286393699 MGTIMCRBFWFHGE-PMACEKPBSA-N 444.557 1.603 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286444957 DDUJSJMNTHXZJV-GUDVDZBRSA-N 435.594 1.836 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2ccnc2C)CC1 1286646685 URVNUTQKKIEEGR-GOSISDBHSA-N 449.581 1.363 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1286793279 BRKYQPUDYJYHEQ-INIZCTEOSA-N 426.521 1.696 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1290465915 QEWCHIXTBJVCLW-UHFFFAOYSA-N 438.459 1.729 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)CC1 1296367526 GHSQUDNWOXZJHX-UHFFFAOYSA-N 441.536 1.673 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1OC 1300076076 BMNACWCCRLRUDJ-AEFFLSMTSA-N 442.520 1.412 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1300344742 HTQTYFCBATVATD-GOSISDBHSA-N 441.557 1.963 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300421736 PXFQCQUHVMHKMQ-LJQANCHMSA-N 447.609 1.661 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1300492977 PWYPGSQQOXRJHB-KRWDZBQOSA-N 426.477 1.549 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C(F)(F)C12CCC2 1300671150 CQQZMJVGITZKGD-LSDHHAIUSA-N 428.505 1.702 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1301339149 ICHVOICIFJRROR-LJQANCHMSA-N 436.516 1.835 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1301407749 PWNKOISQRYXINM-IBGZPJMESA-N 428.493 1.107 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301490330 RBDUIDFKUIWLRY-KRWDZBQOSA-N 432.912 1.242 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1301490873 HFLAYKQNCRWPEH-UHFFFAOYSA-N 436.520 1.696 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1301497422 WDCXUCIFGOMGJO-HNNXBMFYSA-N 444.561 1.988 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301498249 MEFFJJDQWQOIGR-PMACEKPBSA-N 445.612 1.427 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301596346 MDWVXVMNNCMHLY-ZWKOTPCHSA-N 439.582 1.031 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1302223642 ISFPRVISTWVNAW-UHFFFAOYSA-N 433.534 1.493 30 10 IDEE C=CC1(CC(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)CN(C(=O)OC(C)(C)C)C1 1303783882 IWZHGFOQFYVRRO-UHFFFAOYSA-N 446.426 1.941 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC34CN(C(=O)OC(C)(C)C)C4)cc2C1=O 1305768946 BGWZJTLYNBIGKK-UHFFFAOYSA-N 427.457 1.888 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1 1306011981 CBDBXFJFPWUZQA-IAGOWNOFSA-N 439.509 1.675 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 1309655636 WXLOCDNXUXZWKY-UHFFFAOYSA-N 426.922 1.771 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1312624592 DYPNFUJFDLYMLD-GHTZIAJQSA-N 430.530 1.269 30 10 IDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1314576039 FNPXWFFTFBQSQV-WJOKGBTCSA-N 442.545 1.308 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1314893402 QCFQVCYXVLBEBS-HXUWFJFHSA-N 449.533 1.015 30 10 IDEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CCN2CCCS2(=O)=O)c1 1316529871 RFBAZRRNFHFASZ-UHFFFAOYSA-N 444.561 1.594 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2F)CCO1 1316535229 GVFIRCKVRXATRM-CQSZACIVSA-N 438.423 1.267 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316539907 HCLWQQGLWRECNA-RTBURBONSA-N 430.578 1.896 30 10 IDEE N#C[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCCO)CCO1 1316540017 SPQLSWNASAASSS-SFHVURJKSA-N 426.525 1.343 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)nn1 1352471263 XTTWQGNATWRCMZ-UHFFFAOYSA-N 429.424 1.418 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCS(C)(=O)=O)c1 1358903579 CARVPJFEROJMDA-QGZVFWFLSA-N 431.518 1.230 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1358903757 ITGNWAIJLYWAMV-QGZVFWFLSA-N 435.536 1.597 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)Cc1ccon1 1358944728 FVGRHEIIUXHCBV-UHFFFAOYSA-N 430.490 1.131 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cncn2)C1 1359086603 CEMXJQNIPZDTIE-CQSZACIVSA-N 435.330 1.742 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359216239 RTYDLDLRVOAWKF-CQSZACIVSA-N 428.518 1.681 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305424 CIIQVPXJUAFOIJ-XHSDSOJGSA-N 445.524 1.080 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1359749728 XVWIHAYXQFCIOT-VGVBMJIYSA-N 425.493 1.661 30 10 IDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)c(=O)n1C 1361271844 DCOURCRABCYHKR-HSZRJFAPSA-N 431.500 1.574 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)CCOC1 1453691022 OCDUIVRYEGGSKE-IBGZPJMESA-N 436.306 1.340 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN(CCN2CCOCC2)CC2CC2)CC1 1460502205 IFBLICNTKKVXST-HXUWFJFHSA-N 431.606 1.501 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)n[nH]2)c1C 1471537660 KMFNJYPWNRNYSV-LJQANCHMSA-N 441.580 1.602 30 10 IDEE CCN1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1502298835 AFKREZOWHHBQGE-IRXDYDNUSA-N 443.577 1.873 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@@H]1C 1502330658 AAZHOXFNUYUIMF-SFHVURJKSA-N 435.536 1.941 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1507691044 ZPIVVDRMTBECTH-ZDUSSCGKSA-N 442.467 1.691 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1507738603 RXXMRPWNPLSNIG-XXBNENTESA-N 439.564 1.992 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)COC(=O)N2 1508074075 QARWRMTVRISWOC-UHFFFAOYSA-N 426.477 1.335 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1508089234 FDNXIOURCXQMKO-VGSWGCGISA-N 445.951 1.922 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(C)n2)C1 1508127249 UGKLDRBTFUGSJL-WBVHZDCISA-N 437.591 1.969 30 10 IDEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1520538189 CCAZTNCCVDGIFW-UHFFFAOYSA-N 427.578 1.780 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1ccc(I)cc1 1523980929 RNNYAJUKGSBNBJ-UHFFFAOYSA-N 437.241 1.904 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1 1527476808 UXSWQWLPXOEPFN-QGZVFWFLSA-N 428.489 1.143 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(C#N)n1 1531381189 UMEOWSMIKZRNCG-GXTWGEPZSA-N 426.395 1.947 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1539216798 XIFDGGJPEHEFPN-KRWDZBQOSA-N 435.550 1.261 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1539391703 HQTOYGHLHKLKOC-KRWDZBQOSA-N 437.479 1.714 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(OC)ccc2OC)CC1 1539447939 ZEALXZIRIZKGOO-SFHVURJKSA-N 425.533 1.993 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2)CC1 1539477604 SDNUXBAMXSDTMJ-IBGZPJMESA-N 436.516 1.252 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1539481507 ANWNHNNQNAIGMT-MRXNPFEDSA-N 432.569 1.967 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539721398 ALTNTRGGRWONOS-HKUYNNGSSA-N 440.552 1.818 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CC[C@](C)(C#N)C3)CC2=O)cc1 1539935745 SGXSNFLNKBZXPI-HRAATJIYSA-N 432.546 1.832 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540872135 DKHSMZSYMFJDSX-NRFANRHFSA-N 447.536 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1540902073 ZTRVTDSLVLKXQZ-INIZCTEOSA-N 447.565 1.079 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)CCOC1 1541733328 OGZICVSXQXCHON-APWZRJJASA-N 425.555 1.163 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCc2cccnc21 1541927882 RHWIXMOOLBGXRT-YYFZDKIDSA-N 447.540 1.845 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c(F)c1 1542698949 DSCGLWCBQOKXGP-INIZCTEOSA-N 429.473 1.971 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OCC 1561828310 KEFPAZPCJKZBFM-OAHLLOKOSA-N 436.939 1.480 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1568181511 ZHHRBHPBHCHQOD-INIZCTEOSA-N 434.493 1.185 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 1568527238 WCBOMWHXBCHBTH-IBGZPJMESA-N 433.553 1.920 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1584573946 HYBBUYSQHBKEMQ-JTAQYXEDSA-N 428.533 1.841 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1587847594 ORYUSESMUDHCOL-MRXNPFEDSA-N 433.516 1.755 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1587988707 AXZFKRSQSFAMDD-WMZOPIPTSA-N 449.602 1.861 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588039631 BADYHCBVBDZWCQ-QGZVFWFLSA-N 449.964 1.750 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588046124 XXMMWGWZIZRPGK-DLBZAZTESA-N 448.520 1.516 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(N)=O)cc1 1588158942 MNKLTILZFQZBIR-UHFFFAOYSA-N 447.524 1.881 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC[C@H](C(F)F)N1CCOCC1 1588173594 FRMFMLHDLRYHTL-QGZVFWFLSA-N 436.507 1.235 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1588229620 ZNSVJDNRAVTTJS-JOCHJYFZSA-N 447.587 1.852 30 10 IDEE C#CCN1CCN(c2nnc(C)n2CCCN(C)CCCNC(=O)OC(C)(C)C)CC1 1588752456 SQJDQSUEAQIVMY-UHFFFAOYSA-N 433.601 1.578 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCCC1 1594962331 KFYZQIBVRAPMCP-SFHVURJKSA-N 440.614 1.498 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)C1 1595674195 NTNPEDLOOAZJRO-CJNGLKHVSA-N 441.504 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CN2CCOCC2)CC1 1595785167 RXXJUTIBXSEOFC-UHFFFAOYSA-N 448.593 1.423 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1595798888 VBQKZXCAAPHAKC-KRWDZBQOSA-N 447.561 1.766 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1596703598 VVURUGWZUBCIQX-FQEVSTJZSA-N 434.504 1.654 30 10 IDEE CC(C)(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1597666049 GGMUYSWKCOOZEM-UHFFFAOYSA-N 439.520 1.864 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ncccc1F 1611677017 HMMWSAFISQWXNC-ZDUSSCGKSA-N 437.501 1.241 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1612486753 PSSZPANXQMJGFA-LEXKCHRASA-N 438.536 1.758 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1619927284 DEXKNAJYPFRBIC-HOCLYGCPSA-N 445.911 1.217 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1620511168 ONRATIWTZFKLSN-UHFFFAOYSA-N 444.513 1.839 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1636287937 AYIZWJYRWRMMLY-IBGZPJMESA-N 438.509 1.977 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c1 1637600797 BEJQDBUKSXSXPL-CEXWTWQISA-N 449.573 1.423 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC)[C@H](O)C(F)F)nnc12 1638767406 XQZXGDQAKXENHG-WFASDCNBSA-N 437.472 1.843 30 10 IDEE CN1CCN([C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)CC1 1639049423 CEYRPWURPCICMC-NRFANRHFSA-N 436.512 1.879 30 10 IDEE CC1(C)NC(=O)N(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1639778108 BLZOJQHTTDQXSL-BQBZGAKWSA-N 437.287 1.946 30 10 IDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)ccc21 1641890669 NUFXNORISGWFOE-SFHVURJKSA-N 448.483 1.462 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](CO)c3cc(F)ccc3F)C2=O)cc1 1653742262 XACCURRKEJAAEG-QZTJIDSGSA-N 428.395 1.891 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN(C)Cc3cc(C#N)cs3)C2=O)cc1 1655727585 XRFANIWHJJLOCH-FQEVSTJZSA-N 427.486 1.559 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)C1 1664279988 GJFVUEGWAJMFHK-INIZCTEOSA-N 433.530 1.902 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 1664904052 QZVJUSSKFAIGGN-UHFFFAOYSA-N 434.511 1.553 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 1665178492 AJPCTDNEWFCAHI-UHFFFAOYSA-N 443.494 1.072 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1689930512 SRBCUCNKMIIKQW-GCJKJVERSA-N 428.558 2.000 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689988049 HZRMGIQBIWCXHK-INIZCTEOSA-N 445.520 1.351 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1689996163 DOLBBVOPSHTOOW-KRWDZBQOSA-N 436.509 1.659 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2C[C@@H]2C)CC1 1690115141 UKDOFBYGNCLNDI-HKUYNNGSSA-N 442.589 1.607 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1690264493 VTEKYQOFFMKZNN-BZSNNMDCSA-N 444.559 1.978 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690308441 NXYRUSUZTGJBNS-KRWDZBQOSA-N 440.508 1.094 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)=O)CC1 1690507522 ONQGPAUPGIIOON-UHFFFAOYSA-N 430.509 1.703 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCN(CC)CC1 1690520388 URWNXBWLXOIMHP-SFHVURJKSA-N 436.568 1.569 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1690661838 IREVAKXZWNATGP-AWEZNQCLSA-N 429.477 1.264 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnn(C)c1C 1690675328 XHIWODLSBIQBTG-UHFFFAOYSA-N 442.549 1.250 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1690746864 LPKLQAAPRQUYCC-MRXNPFEDSA-N 441.579 1.760 30 10 IDEE CC[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694867353 KWOCXKBCWGGGDN-JHBCHSCWSA-N 441.536 1.553 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1694947984 KLQMEHVPVOHSGH-YLEKHRKWSA-N 430.509 1.661 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1)S(C)(=O)=O 1695737540 BWKUQBIBIYVSOZ-GOSISDBHSA-N 446.577 1.961 30 10 IDEE CNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1696957973 OATYGQCVOXAHOB-ZZEZOPTASA-N 443.552 1.356 30 10 IDEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1698012128 WBKHKRKXFZTYQH-QHCPKHFHSA-N 441.532 1.990 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1 1705551324 LRWNZIYQKNAOCH-ABHNRTSZSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705559695 FAIRNUKDIDIWMS-KRWDZBQOSA-N 437.610 1.313 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1705560207 ILGTXICEBKZHPD-QRVBRYPASA-N 437.610 1.265 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1705629181 YXKGHSJZEKOPRA-WIYYLYMNSA-N 441.532 1.597 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2ccnn2)CC1 1705643299 ABNBOXQNGRKYAJ-RTBURBONSA-N 426.569 1.634 30 10 IDEE CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)SC 1708677741 AGWDHHSSTBIUNS-GJZGRUSLSA-N 427.596 1.831 30 10 IDEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1F 1711817735 AZAVMVOVEIZENZ-MRXNPFEDSA-N 428.468 1.520 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722371742 LEYYBSUZWPXGAW-MOPGFXCFSA-N 444.561 1.459 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC=C)CC1 1722430886 JXQQVXJOBWAARE-KRWDZBQOSA-N 426.496 1.615 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2nnn(C)n2)CC1 1722431883 UMESREQAOMAYRW-GOSISDBHSA-N 435.536 1.362 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2cnnn2)CC1 1722434862 XYURHRMWAKICEB-UHFFFAOYSA-N 429.891 1.570 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncnn2C(C)(C)C)CC1 1722440869 LJZLRRJXHLJRLQ-UHFFFAOYSA-N 436.568 1.290 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCSCC2)CC1 1722443657 YKSLJWROVWXXNV-UHFFFAOYSA-N 442.589 1.861 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722493904 LFNAOJDFMCVYMS-ZRNYENFQSA-N 446.596 1.554 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(C)C)C1 1722694677 DOVIODYTAGTKEM-IBGZPJMESA-N 427.505 1.880 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)C1 1722709370 OQJRAGCKNFFHRC-MRXNPFEDSA-N 425.493 1.233 30 10 IDEE Cc1cc(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)n(C)n1 1725837281 CTMHWUWWXFGHLR-KRWDZBQOSA-N 434.552 1.944 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1729186362 DTHBAOZXSPQBFL-WMLDXEAASA-N 430.534 1.355 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1730483801 GLEVATVWDXMZHU-QGZVFWFLSA-N 427.484 1.795 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730908119 OMBXQDVSFGDFKW-DVSFIDLUSA-N 446.552 1.635 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1730955419 JNBIGPSTWSOGMO-OKYOBFRVSA-N 432.569 1.851 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3ccc(C#N)o3)C[C@@H]21 1730979292 DCUAQKAUUBISJD-UTJXIGIESA-N 434.522 1.262 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCO[C@H]2C)c1 1740562467 KEHNYHIICMQFCP-HJPURHCSSA-N 449.515 1.275 30 10 IDEE C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740566730 BQEUNVSJWCKXPX-PMACEKPBSA-N 434.544 1.771 30 10 IDEE C#CCCCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740596450 FZRITLAEROGLTL-XLIONFOSSA-N 439.582 1.250 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1740661811 JYMLXFMXKQUODN-INIZCTEOSA-N 432.550 1.086 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1740669224 RQIDMOPASZUDAP-QGZVFWFLSA-N 435.532 1.372 30 10 IDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCS(=O)(=O)C1 1740674142 VZPZVFCVDCIXHW-NRFANRHFSA-N 427.530 1.290 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnccc2OC)CC1 1740700851 KUZUNYDIKNHREY-PXNSSMCTSA-N 426.521 1.209 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740718672 UDDROHKAGWBMNM-IBGZPJMESA-N 447.605 1.614 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1740962019 PKVICZSGYWFODD-KRWDZBQOSA-N 426.521 1.142 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)N(C)C)C1 1740978931 FVDNPLCAMHPOGM-OAHLLOKOSA-N 437.504 1.854 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740988663 MDQXHQHOSMBLSO-SFHVURJKSA-N 431.562 1.851 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1741198629 HHANRZXQUOWPOD-GOSISDBHSA-N 425.537 1.875 30 10 IDEE CCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1745158968 JXTRJSSXJCKQJM-JOCHJYFZSA-N 440.552 1.561 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1747704474 IFSGRTFFHNVJQD-KRWDZBQOSA-N 425.518 1.621 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1748764061 GXSBDXSDNCNMAZ-CVDCTZTESA-N 444.580 1.086 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)N(C)C 1748780232 ORTVWBZYJACAKQ-UHFFFAOYSA-N 426.340 1.668 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1748839022 MKDGAUQNYSLRBQ-UHFFFAOYSA-N 442.571 1.942 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1748860065 SQGPGDSEUGTJBW-UHFFFAOYSA-N 446.504 1.009 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1748867525 IMONTDHUTUTWFJ-XUZZJYLKSA-N 443.592 1.750 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1748928953 BXKBFPXDCJVDMB-VSRDTVRMSA-N 429.546 1.784 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748962883 SYQOCSDFXUUNMB-ROUUACIJSA-N 440.552 1.369 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749043573 GRPZAQPTHDWEOK-QUCCMNQESA-N 426.590 1.787 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749715476 OBEXJKCRKVIGMT-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750652363 GLKWFXANABGEQQ-RXVVDRJESA-N 445.545 1.401 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1751094215 GGKSTNLVBFLSTK-WBVHZDCISA-N 440.533 1.548 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760094952 BMDNKPOFNJPZBA-PZJWPPBQSA-N 436.560 1.873 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1760117313 NXBFUNBYYFNIAU-APWZRJJASA-N 447.561 1.434 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCCC1 1760163242 PUSAGGPUMJAJBC-MJGOQNOKSA-N 430.578 1.795 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCSC1 1760175514 LGWQGZPNPKEEPF-MGPUTAFESA-N 437.566 1.524 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1760195051 VSSBIBFEGHMAAB-CQSZACIVSA-N 435.937 1.671 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ncn(-c3ccccc3)n2)CC1 1760265327 XHFDOGFYNUXKLD-UHFFFAOYSA-N 432.532 1.996 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(CCOC)no1 1760322646 VSKARNQKNSEHJO-MDZRGWNJSA-N 432.525 1.972 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760354603 HPDRXPJJSMSSGY-UHFFFAOYSA-N 429.569 1.523 30 10 IDEE C=C(Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1760363157 GJOYBLCMMVTTEP-UHFFFAOYSA-N 425.518 1.530 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CCC)OC)CC1 1760402314 JYXZVSOQWKZEQH-MSOLQXFVSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(F)(F)F 1760517094 CCCUXEZVWXOFLX-UHFFFAOYSA-N 431.440 1.649 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760519783 PGVWVTKYBPAERG-KDURUIRLSA-N 443.504 1.606 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1760688851 PFFAHFVADMTTMW-MBOZVWFJSA-N 439.582 1.882 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC[C@H](CO)O1 1760934254 YHKWQTPJDZBRIZ-YESZJQIVSA-N 426.525 1.318 30 10 IDEE CCOC1CC(Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1766120436 FYKSYMRVZUNAOV-QXAHSBQVSA-N 442.568 1.544 30 10 IDEE CCOCc1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767908318 QIYYAEQKCUMMJT-VXPUYCOJSA-N 445.568 1.652 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)CN1CCOCC1 1768452319 DXXFBMGYHWFIEN-UHFFFAOYSA-N 439.564 1.700 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O)OC 1770779773 LCTVVSAOKZESJZ-UQLWOSAYSA-N 441.532 1.987 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770805476 YDGPOTQONVDNLC-HLLBOEOZSA-N 430.488 1.491 30 10 IDEE CS(=O)(=O)N[C@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1851064234 ONDMFIFSGOUYED-KRWDZBQOSA-N 427.530 1.473 30 10 IDEE CN(C[C@@H]1COCCO1)C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1853053902 GWWSTLQSOLRYRU-CTNGQTDRSA-N 443.525 1.322 30 10 IDEE Cn1cccc1C(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)NOCCN1CCCC1 1853536424 GRKCPFBTGMMLKZ-UHFFFAOYSA-N 431.518 1.272 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 1858339599 XHMDPKZPAIZOMP-SFHVURJKSA-N 431.539 1.788 30 10 IDEE CC(=O)Oc1cccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 1870137071 YREZQHDXBVPSBX-UHFFFAOYSA-N 430.380 1.542 30 10 IDEE C[C@@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)c1ccc([N+](=O)[O-])cc1 1890179851 JQNRBFDIDFESHH-LJQANCHMSA-N 428.533 1.957 30 10 IDEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634634 BXVCQRPSGOJMTE-CQSZACIVSA-N 436.318 1.644 30 10 IDEE CCO[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2146786132 VILRXQYEDGOBBY-QGZVFWFLSA-N 437.518 1.580 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254790166 IFJBODMWCBCRMU-YQQAZPJKSA-N 435.330 1.134 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2255540024 HOCJWAYNXBJHBY-UHFFFAOYSA-N 436.314 1.599 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255632181 JROJGESRTJXTLZ-JOCHJYFZSA-N 426.326 1.076 30 10 IDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2255695075 AQTHNQNYXVLZAA-ZIAGYGMSSA-N 429.326 1.976 30 10 IDEE CCn1cc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255807412 SYYOPTGTGMRKEB-ZIAGYGMSSA-N 434.346 1.988 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255857814 KOAOWJZUEMWUBB-SVXVCFNTSA-N 440.346 1.316 30 10 IDEE C[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2256061743 KPVQKZQLPISCQX-KGLIPLIRSA-N 432.330 1.761 30 10 IDEE C=C(CN(C)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)B1OC(C)(C)C(C)(C)O1 2256678906 HJYBMOHQLQNAJB-UHFFFAOYSA-N 437.346 1.712 30 10 IDEE Cc1cc(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2260825101 AYKYFDUXVNCBEK-KRWDZBQOSA-N 434.342 1.796 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2312855071 STQNIAUZMCMEPN-QEJZJMRPSA-N 430.314 1.513 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2337196979 QYBWFYGLOYJLBT-HUUCEWRRSA-N 446.357 1.801 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1 2339942186 JBEFJDLMCSUBIT-HNNXBMFYSA-N 449.357 1.959 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1S[C@H]1N=C2[C@@H](N1)C(=O)N(C)C(=O)N2C 20220056 ULNSBGAHVYGIEF-RHSMWYFYSA-N 427.490 1.313 30 10 IDEE COc1cnc(C#N)c2[nH]cc(C(=O)C(=O)N3CCN(c4ncnc5ccccc45)CC3)c12 33819706 XJXDHMPZXNVRKH-UHFFFAOYSA-N 441.451 1.918 30 10 IDEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1cccnc1 102740398 JLYGBSXVHOLJSH-LAFOYAEKSA-N 436.468 1.900 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 102758977 NPWPUTIDUINSLN-HQMFNGAOSA-N 425.489 1.566 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 430330455 JDCRAUPHHXKWLO-UHFFFAOYSA-N 429.521 1.922 30 10 IDEE CC(C)NS(=O)(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 432864354 HOJWXUCYTIDOPV-UHFFFAOYSA-N 449.558 1.151 30 10 IDEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 466656619 QWMOFKRRFSTGIH-UHFFFAOYSA-N 439.863 1.911 30 10 IDEE C[C@@H]1OCC[C@@H]1N(CCO)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 483279542 GMVDESQKEZWYRW-QKLQHJQFSA-N 430.549 1.828 30 10 IDEE Cn1nc(O)c2c(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc(C3CC3)nc21 490253156 QXJHKFQFSFBBLZ-KRWDZBQOSA-N 430.468 1.954 30 10 IDEE CC1(C#N)CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 503313596 HBMAIKWWSTVFHT-UHFFFAOYSA-N 437.522 1.335 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 541143269 GKGWFAWXBFSABP-INIZCTEOSA-N 442.907 1.517 30 10 IDEE C[C@H]1CN(C(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CCN1CCO 551491794 AVWPWGBTIQFKLA-INIZCTEOSA-N 438.532 1.505 30 10 IDEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cncc(C#N)c3)CC2)c(OC)c1 562067180 AAFSBWSLXLLRLJ-UHFFFAOYSA-N 430.486 1.554 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SCC)C1 572388222 RMJICKVQJBZIHT-HZPDHXFCSA-N 429.612 1.909 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 575818973 CHGIKYIVSCFMJH-MRXNPFEDSA-N 433.578 1.915 30 10 IDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)C1 586859158 UOEIYJAHWVPWKS-APWZRJJASA-N 443.523 1.153 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 604199437 YGRQXIKJCAMHLJ-XKGZKEIXSA-N 442.560 1.894 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2cc(C#N)ccc2OC)CC1 609047008 OSCSQKHXHXPBDQ-UHFFFAOYSA-N 429.502 1.829 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2cccnn2)CC1 725738451 YJVNZWMELWQXPN-KRWDZBQOSA-N 442.545 1.279 30 10 IDEE CCOc1c(OC)cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1OC 725761951 BUVASJAJLYFZLQ-INIZCTEOSA-N 441.509 1.531 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)cc1 727370962 RKDTZBQJSBBALM-GOSISDBHSA-N 429.523 1.752 30 10 IDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 730143342 AGIFMESJPUHVBB-MRXNPFEDSA-N 426.514 1.480 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NCC)c1 730144674 PZOXYHPOVUUIJS-YJBOKZPZSA-N 443.573 1.192 30 10 IDEE C#CCN(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCS(=O)(=O)C1 731213251 YZCSFJGDCUMTRD-GOSISDBHSA-N 443.491 1.476 30 10 IDEE CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732669145 HCVUXJPDPLPAAH-AWEZNQCLSA-N 442.335 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)CC1 734428930 RFRXUOQEYXOKNT-KRWDZBQOSA-N 427.505 1.885 30 10 IDEE N#Cc1cc(COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)ccn1 746952675 AMISVRCOALJIAR-OAHLLOKOSA-N 440.275 1.098 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751676459 BEKNVHCFWVLDKQ-LSDHHAIUSA-N 425.445 1.650 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 763777872 GJNJOSRTOKBSNQ-DOTOQJQBSA-N 447.513 1.449 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(CC(C)C)s2)c1=O 772898999 RIOFVOOOYDXVFD-UHFFFAOYSA-N 448.614 1.631 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cn1 774296931 JLDZPDHNISGQFG-OAHLLOKOSA-N 437.566 1.251 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c(C)c1 782839657 UZXGRLDEWVICOW-MRXNPFEDSA-N 444.565 1.027 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 787543738 GRXLKHJCNMXKSD-ZBFHGGJFSA-N 439.472 1.352 30 10 IDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 795825787 QMORZMPXQIXHDN-OAHLLOKOSA-N 429.429 1.965 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796624864 CVVRWZTUHOHVQP-WMZOPIPTSA-N 429.502 1.485 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1 802353169 QGUPLVRRYWVJSF-SFHVURJKSA-N 429.521 1.126 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2cccc(Br)c2)CC1 806779678 BZGWLHXQMURVIC-ZCXUNETKSA-N 448.321 1.807 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807928145 BGXKLYNNHJTWJU-QGZVFWFLSA-N 429.550 1.323 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(Cc2cnn(C)n2)C1=O 807932611 FFSIHFOKZITGLW-CYBMUJFWSA-N 442.423 1.982 30 10 IDEE CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCN(O)C1=O 816692606 RLCOMYAAQXOMCI-QWHCGFSZSA-N 430.324 1.407 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 918769824 NHFGSDFUUOMZKK-CYBMUJFWSA-N 427.442 1.448 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@](F)(C#N)C2)C1 1138252125 VCPBDLNHBURUIR-VQTJNVASSA-N 427.473 1.798 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1151573894 MQVPOKFJHOZOLH-CQSZACIVSA-N 446.909 1.317 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1157759684 CTFNIDRUUVESQW-AAVRWANBSA-N 441.406 1.277 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CS1(=O)=O 1230717817 IQHJUSCSKNZAPE-WBVHZDCISA-N 427.530 1.904 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(CCOCc3ccccc3)CC2)CC1 1235030217 INGWVWQPSVIFTD-UHFFFAOYSA-N 434.562 1.168 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1COCCO1 1286272480 AQTUULXJPCUDPF-GOEBONIOSA-N 432.550 1.420 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)nc1 1286303777 SNSBHFNDYZIWMR-SFHVURJKSA-N 434.548 1.878 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCOC(C)C)c1 1286309784 UZKRGSMJDBMLEY-UHFFFAOYSA-N 426.521 1.898 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286433363 RHKCMRNNMGRXJE-UHFFFAOYSA-N 441.536 1.228 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1286484953 RLJLNEHLLKPDCB-ZWKOTPCHSA-N 442.589 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CCCS2)CC1 1286485013 AGNLZBQZWNHDKD-QFIPXVFZSA-N 444.605 1.766 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286511971 PYRVRKQHAHHMRF-HXUWFJFHSA-N 429.550 1.537 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)CC1 1286564950 OASQSJKRBYLXIC-IEBWSBKVSA-N 434.566 1.356 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286787235 DBJGYRQNBDDLOT-ROUUACIJSA-N 446.596 1.853 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286821989 XPCBUUYUNPKECM-HUUCEWRRSA-N 427.571 1.791 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1287047632 GBUXXNNDPHMZHC-UHFFFAOYSA-N 437.504 1.620 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H](C)N(C)C)CCOC1 1288320330 OGGYPJDDTSDRLG-ZWCUEREDSA-N 431.585 1.445 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1291193629 GIYOYUXKIWJDAC-OPAMFIHVSA-N 426.521 1.803 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1298742168 HBAPOVNPEXVYJT-FQEVSTJZSA-N 444.517 1.303 30 10 IDEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300422274 JJAWNNMVDZCJKY-MRXNPFEDSA-N 442.907 1.071 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1300703469 KQYAUWUWAFPMLH-UHFFFAOYSA-N 436.608 1.045 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccccc2)CC1 1300711102 SIGPRJKVWSJFKK-ZCVJKFOLSA-N 439.560 1.665 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1301137867 XSJQULQLHNTSCK-INIZCTEOSA-N 448.597 1.607 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1301451897 FNOSUMHWJCEVKC-INIZCTEOSA-N 432.960 1.687 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1301500913 QXXSFADSOWBCFS-INIZCTEOSA-N 431.566 1.171 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1301547242 XTLWSAVVNAORRY-SFHVURJKSA-N 437.504 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301577528 PRVPLYHKBYCUPR-DOTOQJQBSA-N 449.964 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](COC(C)C)C1 1301589109 NOOPGHOTDLSVSW-QZTJIDSGSA-N 442.582 1.751 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1301952163 HUBYSVQSHDOYMB-BRWVUGGUSA-N 445.593 1.935 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1302055798 WQAYCRLUNLVPST-VFNWGFHPSA-N 427.509 1.674 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2(F)CCC2)C1 1302479595 NJRWVQBDVIRSER-KBXCAEBGSA-N 444.508 1.335 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCC(F)F 1303401991 CAVYBXFGYKWNPO-UHFFFAOYSA-N 448.478 1.291 30 10 IDEE Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)s1 1304774521 FPNVOVZIBQNZGL-VXGBXAGGSA-N 426.572 1.419 30 10 IDEE Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)s1 1304784839 HLZBIQFLZJIXGZ-CYBMUJFWSA-N 438.517 1.604 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCn1cc(-c2ccccc2)nn1 1305800543 VBVFZXQIEYDSRS-UHFFFAOYSA-N 438.513 1.580 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C[C@H](C)O1 1306408291 AADAVMNBSRHTFA-MAUKXSAKSA-N 434.504 1.974 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1306646590 MAKAVEJRPAEXTA-BSBNDGSWSA-N 437.504 1.872 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@@H]1C 1316128524 HEDBFOVGWKTXKA-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCC[C@@H](O)C1 1316205510 GMNGCQRYNLBZNL-PIKOESSRSA-N 432.569 1.730 30 10 IDEE C=CCO[C@H]1CCN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 1337676722 CXTYJMWVNIVJRA-LBPRGKRZSA-N 425.230 1.684 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358965117 OGBMFCOYZBUDOD-WIYYLYMNSA-N 429.546 1.460 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1358965316 SFSWBQLBNKZMDH-MOPGFXCFSA-N 447.630 1.899 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358965486 WDSZKHRRTXYFFT-HKUYNNGSSA-N 446.573 1.787 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCN(C)C)CC1 1359030840 HXDHOHLZEYNLOP-UHFFFAOYSA-N 448.575 1.669 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359040144 JVFHLSLSDSBWGO-KRWDZBQOSA-N 444.580 1.036 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)c1ccccc1 1359063403 RKQAFNALUQVAKG-OAQYLSRUSA-N 429.546 1.882 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N2CCOCC2)CC1 1359168088 HQTHRMUYRINACU-UHFFFAOYSA-N 444.561 1.675 30 10 IDEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359211990 VZCAORNOVHGSTH-MRXNPFEDSA-N 440.504 1.076 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359221625 IGHNMXZKLDGEGS-GOSISDBHSA-N 433.553 1.881 30 10 IDEE C=CCNC(=O)Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1359305442 CVIDNHIPNDZKDO-GOSISDBHSA-N 429.443 1.931 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1440745154 GFDNIYFRALRJNX-KRWDZBQOSA-N 444.536 1.623 30 10 IDEE C[S@@](=O)C1(C(=O)NCC2CCN(CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 1444005389 VQALUURPPCCWAX-GDLZYMKVSA-N 426.583 1.486 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCCCS2(=O)=O)C1 1446705697 BBUAIQZHTCKJOA-HNNXBMFYSA-N 426.336 1.840 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1ccc(I)cc1-n1cnnn1 1448873990 PKYLMXPWAKPYCN-UHFFFAOYSA-N 440.289 1.847 30 10 IDEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OC 1455836510 LSMZGXTXAYJCDC-QGZVFWFLSA-N 428.482 1.474 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1468881191 GQXHPNYQGQSHLZ-HXUWFJFHSA-N 441.509 1.598 30 10 IDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1469699741 KRWMJYJZHYRHFK-SFHVURJKSA-N 427.461 1.835 30 10 IDEE CCOc1cccnc1N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1471822228 MOTJPILQITXMPP-UHFFFAOYSA-N 432.477 1.879 30 10 IDEE Cn1c(N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)c(C#N)c(=O)n(C)c1=O 1472805352 HIWKEVQEGRLLFF-DOTOQJQBSA-N 443.479 1.592 30 10 IDEE C=CCN(CC(=O)N1CCN(c2cnccn2)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1473382837 CBSYLBKLFJNAKX-NRFANRHFSA-N 437.544 1.788 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1505318381 MRXHCBVGRPGAFR-MGPUTAFESA-N 445.886 1.952 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N1CCOCC1 1507522112 AZEPLMJWFKSTRK-INIZCTEOSA-N 427.505 1.669 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507634044 IKFCOZCNGUUDOT-ZBFHGGJFSA-N 441.554 1.245 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1507658972 SUDQOMSPXCIOIZ-IBGZPJMESA-N 435.532 1.378 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC 1507820865 ONTNQUMJLKQJMN-INIZCTEOSA-N 429.587 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508073144 MELOADWXBCECLB-GOSISDBHSA-N 447.561 1.659 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CC(N)=O)CC1 1508089560 CGAJJQFZDLVZFQ-UHFFFAOYSA-N 440.548 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508140255 LKMWANLUHGAHKK-GXTWGEPZSA-N 448.471 1.435 30 10 IDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c(Cl)n2)CC1 1526172526 GIPYTWLYDRUGEJ-UHFFFAOYSA-N 425.942 1.874 30 10 IDEE C=CCN(C(=O)c1c2c(nn1C)CCS(=O)(=O)C2)[C@@H](Cc1ccccc1)C(=O)OCC 1538618930 RBXNUIDXHNJPGF-IBGZPJMESA-N 445.541 1.694 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1539065848 LNUROBMQODHEGR-OAHLLOKOSA-N 440.470 1.928 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCN1CCOCC1 1539101540 AOYUFJACPFNNGS-UHFFFAOYSA-N 431.562 1.530 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)cc(C)cc1C 1539396371 OGTREKVCHBAFSQ-GOSISDBHSA-N 433.578 1.948 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1539428907 XQKRAWLBAXELNZ-HXUWFJFHSA-N 427.597 1.390 30 10 IDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1540006611 VAAJOWKRUQYALA-HZPDHXFCSA-N 434.541 1.864 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1C1OCCO1 1541104747 BAQNJTHOPMBOTA-GJZGRUSLSA-N 448.549 1.578 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1541910946 GFZPQLJIQGKCHA-YJBOKZPZSA-N 432.550 1.823 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C(F)(F)C12CCC2 1541945422 GUWSNYMXULIYHL-AVGNSLFASA-N 430.481 1.052 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1543052030 LKFDDJBHBHRZSN-KKSFZXQISA-N 439.524 1.258 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)[C@@H](C#N)C1 1545289683 GJPUHUREDSHOFV-HNNXBMFYSA-N 443.435 1.459 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H]1C 1547648995 DZMOCUVGWXMVFA-ZWKOTPCHSA-N 435.536 1.939 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1548288691 HQMYTJLLLFPUDV-NZQKXSOJSA-N 440.548 1.515 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554697585 PYDXAGPFPMFNQK-VCMOWOFXSA-N 430.509 1.661 30 10 IDEE COCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1555501461 VQULBXPQKWGEBB-QFIPXVFZSA-N 442.520 1.890 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCS(C)(=O)=O 1557109048 PDFMWBZQRJSSOS-OAHLLOKOSA-N 429.564 1.225 30 10 IDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CCOCC1 1560148445 UYXPKHUVTLMBMU-UHFFFAOYSA-N 439.516 1.798 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 1565127044 IJQJJAIFIKHYRR-UHFFFAOYSA-N 425.533 1.836 30 10 IDEE C#CC[C@@]1(C(=O)NCCS(=O)(=O)C2CCOCC2)CCCN1C(=O)OC(C)(C)C 1569308366 ABBFRRWRLIXAKO-FQEVSTJZSA-N 428.551 1.489 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@]3(C#N)CCSC3)CS(=O)(=O)[C@H]2C1 1584460012 FYMMPRITVYYEGY-ZXTQRBJTSA-N 429.564 1.172 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588050226 POXLPGLTMPMXQJ-FUHWJXTLSA-N 433.582 1.036 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 1588199434 ONUNYFFMGPFBOE-NRFANRHFSA-N 435.546 1.013 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)COC1 1588472954 JMZHVMNMQASNLT-OAHLLOKOSA-N 435.525 1.704 30 10 IDEE C=CCCOCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1594830297 VMILIRIDMLBZCN-XMSQKQJNSA-N 435.569 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1595784108 CPHASJVYOAPKQQ-OAHLLOKOSA-N 433.534 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C 1595805682 SEKJJSUVYSVWAI-HNNXBMFYSA-N 435.525 1.276 30 10 IDEE O=C(C#CC1CC1)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1617812704 KVXYXVIWGUEKQR-UHFFFAOYSA-N 425.348 1.780 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(C)=O)c1 1620025456 PZROSBGMGAEAKG-HNAYVOBHSA-N 428.493 1.738 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1620166808 KACZMGWGVCOTAV-MRXNPFEDSA-N 439.925 1.388 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 1627894506 FCJYVZDIYGNZFL-CQSZACIVSA-N 448.545 1.835 30 10 IDEE CN1C[C@H](C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)N(C(=O)OC(C)(C)C)CC1=O 1630234706 FWFFHEPIALIEOL-QGZVFWFLSA-N 438.488 1.642 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)[nH]1 1630788652 GNVDXIVYCUXLJA-UHFFFAOYSA-N 445.479 1.715 30 10 IDEE C[C@@H](O)c1cn(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)nn1 1632463009 AMGVRYMTFHGLQA-NSOWYUBSSA-N 430.509 1.502 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc3c2CCN3C(=O)OC(C)(C)C)CC1 1632624049 MPQCOQQZMLIGAN-UHFFFAOYSA-N 440.544 1.882 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CN3CC[C@H](c4ccccc4)NC3=O)C2=O)cc1 1634584329 LEXXIKDIQHHQRZ-RTWAWAEBSA-N 431.496 1.932 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCc3c(OCC(N)=O)cccc32)c1 1636013789 BFRJJBYYKYYPDX-UHFFFAOYSA-N 427.482 1.055 30 10 IDEE C#CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1637705817 OLCJEEAEWCYROY-UHFFFAOYSA-N 430.571 1.345 30 10 IDEE CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 1639229799 MQNIYURCXQNFLI-VHEBQXMUSA-N 448.520 1.531 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)c2F)C1 1640542719 BWWKPXAXEBTCMB-UHFFFAOYSA-N 443.435 1.892 30 10 IDEE COc1cc(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1O 1641347065 ZCYAZGMAMYFUCP-CQSZACIVSA-N 447.513 1.697 30 10 IDEE COc1ccc(C(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1OC 1651220756 GDQPYRIIVFDEIM-UHFFFAOYSA-N 441.440 1.338 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)n1 1672344313 RFPXHZXHEXKMRB-UHFFFAOYSA-N 427.461 1.482 30 10 IDEE C#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CC1 1674234077 QOCHYBKDTNJBLZ-UHFFFAOYSA-N 433.578 1.232 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1689930071 KGQZQHFUNYEVGU-MRXNPFEDSA-N 439.582 1.418 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(N(C)C)CCSC1 1689960115 ZHVXNCZZPFIBLR-HXUWFJFHSA-N 447.634 1.745 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689980834 YBWIDTHWGOTNMC-QWHCGFSZSA-N 435.472 1.097 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOCc2ccccc2)CC1 1690122109 GNBMAZXFPGJJEY-NRFANRHFSA-N 436.560 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2)CC1 1690144182 OMHJIYZPERLVQB-GOSISDBHSA-N 440.935 1.897 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690211383 ZSHPTEHAALHAPS-WIYYLYMNSA-N 445.593 1.413 30 10 IDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1)c1ccccc1 1690323985 FORNUYQJTNCWLN-HKUYNNGSSA-N 447.561 1.550 30 10 IDEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)c1ccccc1 1690441653 DFRUTRHGGGWATM-RDJZCZTQSA-N 432.550 1.184 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690724788 WIXINUXLUMGMJA-WMZOPIPTSA-N 434.566 1.848 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690740112 JQCQIVPSISPLDE-UHFFFAOYSA-N 437.595 1.562 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1705500918 CCAGELZPXFDVQK-KRWDZBQOSA-N 428.512 1.618 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1705565868 XHCPIAJOBLAPFZ-QGZVFWFLSA-N 438.513 1.419 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCCn1cc(CO)nn1 1705579859 WGDGSWZWHBKANQ-UHFFFAOYSA-N 428.500 1.684 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(C(=O)NC)c2)CC1 1705647373 GDZRXMKNCURDHG-UHFFFAOYSA-N 434.544 1.919 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705798992 ICYVRJHRJFCHAK-XLIONFOSSA-N 426.583 1.904 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1705800264 SGBBLUQOBGCHJN-AWEZNQCLSA-N 426.543 1.323 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cnn(C)c1)C1CC1 1705855095 VQRCFPYUCTUQOX-SFHVURJKSA-N 449.581 1.132 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(C)=O)CC1 1705912130 ABXSHZXYKNHVTQ-LJQANCHMSA-N 438.532 1.947 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1706067890 AOCAEDBFGSDCCK-OAHLLOKOSA-N 446.533 1.787 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)C1[C@@H]2CCC[C@@H]12 1711046113 PYVAISXIUOHSRU-QZTJIDSGSA-N 444.561 1.855 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1711961388 JOQNGCHEUWUSJY-INIZCTEOSA-N 433.534 1.897 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCOC[C@H]1C 1712560771 AKAFAMYBANMFJD-SOAMZJECSA-N 432.569 1.851 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712686072 DKLYZGBORJULQR-PKOBYXMFSA-N 445.545 1.895 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1722330797 XHIYLIBZEYUWEI-UHFFFAOYSA-N 436.564 1.673 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1722361978 QPHWBSAUIFUNMZ-KRWDZBQOSA-N 442.545 1.026 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722372106 PHVSYLILOVJMEX-GOSISDBHSA-N 446.577 1.072 30 10 IDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CCOC)CC1 1722438522 UNNNFRIXGYJPDA-UHFFFAOYSA-N 435.576 1.770 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722451992 ABUDLRCLPBKHRI-IRXDYDNUSA-N 442.545 1.676 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722459613 NZCOWRSCGGSZPE-QGZVFWFLSA-N 443.577 1.582 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNS(C)(=O)=O)CC1 1722580568 KXQOZLGJYTUPQP-IRXDYDNUSA-N 427.571 1.344 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1722693368 LKMLBFLACCUFEH-UHFFFAOYSA-N 426.521 1.561 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](COC)C2)cc1 1722702974 SCAPRXGYEGHPAR-LJQANCHMSA-N 429.521 1.881 30 10 IDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1724003258 KORLCHXNXCIQLR-TWMKSMIVSA-N 431.468 1.826 30 10 IDEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCCS(C)(=O)=O)C2 1724049199 NVZIXBWGUKELAB-HXUWFJFHSA-N 444.517 1.282 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)c1ccc(C)s1 1729022730 FYPWWEOLGRLYDC-KRWDZBQOSA-N 442.542 1.605 30 10 IDEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1730490628 BVLCGCQSNQSKKN-MOPGFXCFSA-N 442.495 1.835 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@]2(C)COCCO2)c1 1740564625 SMRCKMGYZSMDSX-FDDCHVKYSA-N 439.516 1.644 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740590464 HQIARTQXLQJNIM-INIZCTEOSA-N 432.525 1.454 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1740620050 SUVRSXNAQMQGGJ-JXFKEZNVSA-N 434.518 1.198 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCS(=O)(=O)C1 1740896735 GVRXRAABVULHIZ-AWEZNQCLSA-N 438.579 1.295 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1740907741 ZGODDEBXNZJZFD-UHFFFAOYSA-N 444.561 1.647 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(Cc1ccc(-n2cncn2)cc1)C1CC1 1740987006 MUVOVEWIPHPBSE-UHFFFAOYSA-N 427.534 1.937 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1740990801 FUDBEMJCINNXCE-UHFFFAOYSA-N 434.566 1.765 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1741904679 BYLCVROZNNZWJX-VBKZILBWSA-N 432.550 1.557 30 10 IDEE CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1748275805 IWIPGEPQIMHNMZ-KSZLIROESA-N 442.545 1.060 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)cc1 1748669672 HDBYFRQSRIUJQK-FPOVZHCZSA-N 440.548 1.919 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1748687330 IFPYABVQGZLZCX-GOSISDBHSA-N 440.548 1.488 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccs2)N(C)C)CC1 1748971016 AHURDWDDQIILHN-KRWDZBQOSA-N 429.594 1.536 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCc2ccc(OC)cc2)CC1 1748991218 SWEMACNWBLQYRO-HXUWFJFHSA-N 438.532 1.210 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749133986 SLHGSCGPUPUGTA-SCTDSRPQSA-N 431.562 1.863 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1749251509 GLRZSXGWGXCVDX-CYBMUJFWSA-N 445.977 1.025 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)N2CCOCC2)C1 1749692903 CSNHWSMLLKRUCJ-OALUTQOASA-N 434.585 1.554 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1749830226 GVRLTYFRRWDRNI-OAHLLOKOSA-N 435.529 1.463 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)[C@@H](C)C1=O 1750836521 FPQMGONICGCPIQ-QFBILLFUSA-N 435.532 1.788 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCn1cc([C@@H]2CCOC2)cn1 1750942712 AIYIGFZDPOIPSR-GOSISDBHSA-N 440.552 1.947 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1751984083 XBQLYUIERBIJSI-INIZCTEOSA-N 435.532 1.790 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CC1 1760101604 SWVPBVKFKPVNHN-WYIRRWHOSA-N 448.618 1.916 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1760117787 UAYHHDPTRYMRFV-BTHPGYMESA-N 443.573 1.873 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760189045 GGMFDFJITIQEIF-GOSISDBHSA-N 429.546 1.087 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1760189751 WIUPKOCDUIDMBU-OTWHNJEPSA-N 435.594 1.141 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760208042 GMUQGRDQZRWWNB-LJQANCHMSA-N 428.514 1.685 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1760374077 IBCHEAXVGITVGS-GDBMZVCRSA-N 441.941 1.950 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1760441089 XYUIYGDTWFWFMQ-BBWFWOEESA-N 427.571 1.438 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1Cc1nnn(C)n1 1760480016 IEJLIANYBNGPCD-UHFFFAOYSA-N 426.488 1.900 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760523012 JPGRJCXNKIAVTM-UHFFFAOYSA-N 428.518 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)C1 1760548488 HVHHKFZSSXPRMN-SFHVURJKSA-N 431.562 1.699 30 10 IDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760568140 ZTRJVCYBOFVKQP-UHFFFAOYSA-N 438.561 1.770 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760804697 ATEWPUYIHAZPAJ-ZINNWBBGSA-N 434.610 1.896 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764693779 NIAGXIZCHZKSKO-UHFFFAOYSA-N 432.488 1.277 30 10 IDEE CCOC1CC(Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C#N)(N2CCOCC2)C1 1766120428 FYKSYMRVZUNAOV-BWDFOLQRSA-N 442.568 1.544 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1767010635 GDTNXAIPQDMIQJ-UHFFFAOYSA-N 448.531 1.478 30 10 IDEE COCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1769588654 BIZWRBKAQIHZNL-IAGOWNOFSA-N 437.566 1.506 30 10 IDEE COCC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1770680708 LZZSVRVJPSACNI-UHFFFAOYSA-N 426.502 1.738 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCCCO)C1 1770728091 NAVGUKIZPXYVBG-NRFANRHFSA-N 444.515 1.293 30 10 IDEE N#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)CC1 1849587318 LOLMONHEGIJGJX-UHFFFAOYSA-N 430.530 1.734 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CC[C@@]3(C2)C(=O)N(C)C(=O)N3C)c2ccccc21 1853087194 LGLFVDXZIPHCKZ-JOCHJYFZSA-N 425.489 1.569 30 10 IDEE N#C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1853389530 JHHQIWQVSMKASO-BXUZGUMPSA-N 426.292 1.501 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)CC1=O 1854880697 GCYFEXAVGYQPIZ-WMZOPIPTSA-N 433.940 1.411 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCN1CCC#N 1856193503 PNJPGJMAHZHSHB-HOTGVXAUSA-N 436.509 1.199 30 10 IDEE N#Cc1cccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCN3CCOCC3)C2=O)c1 1863240010 YYDQQUXTKSEMIV-UHFFFAOYSA-N 447.451 1.991 30 10 IDEE CC(C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869928660 VNGOAQOTGDCGCQ-KRWDZBQOSA-N 440.481 1.614 30 10 IDEE CN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCN1CCOCC1 1870349586 SZFBJDOLWLYQAU-UHFFFAOYSA-N 440.544 1.445 30 10 IDEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870494589 MHRGADGSFYDBPN-UHFFFAOYSA-N 430.549 1.336 30 10 IDEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633387 YJZSTTVNJAXIEM-INIZCTEOSA-N 449.515 1.454 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 1891323691 XBYHXZHFZOGZJL-UHFFFAOYSA-N 446.496 1.593 30 10 IDEE C[C@@H]1C[C@@H]1[C@@](N)(C#N)Cn1cnc(I)c1I 1905356413 GGMGOPTYIVYPQP-MATHAZKKSA-N 442.042 1.969 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2006228231 MNNQEHDKFOPFMB-RWMBFGLXSA-N 425.345 1.981 30 10 IDEE C=C[C@]1(CO)COCCN1C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2022245088 BGTPRVGRYIRYFP-CVDCTZTESA-N 433.549 1.788 30 10 IDEE N#Cc1c(I)ccc(I)c1[C@H](O)C(=O)O 2060281576 PQXSOIDLVGWJKI-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNC(=O)OCc2ccccc2)n1 2243387018 LVXISBPITLRODZ-UHFFFAOYSA-N 442.325 1.858 30 10 IDEE C=C(CS(=O)(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247904795 QJOKHYPKQNNOLI-LSDHHAIUSA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)CC1CC1 2248404091 ILQCGRSNZKLEDS-UHFFFAOYSA-N 438.359 1.845 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)n1 2255653339 HQFVKYWQWSGKLK-HUUCEWRRSA-N 432.330 1.553 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1 2255677367 HECNIOVBMGLGNU-QGZVFWFLSA-N 434.342 1.910 30 10 IDEE CC1(C)OB(c2ccc(F)c(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255765668 SSFBAFLNMMKJIQ-UHFFFAOYSA-N 430.207 1.875 30 10 IDEE Cn1nc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2255839680 YUBIXUOOBUGJOG-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE CON(CCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2256068391 AOULPOMYJDTEIQ-UHFFFAOYSA-N 436.318 1.694 30 10 IDEE Cc1nc(NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256680209 SQQIILNRGJHKHY-CYBMUJFWSA-N 436.318 1.298 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256882232 HOLPBASRNICAEP-HUUCEWRRSA-N 437.321 1.984 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267013056 DWVUTPVTSMVTBN-SVGFKBNWSA-N 448.325 1.989 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267479034 GUBJKZSBODHSMX-IRXDYDNUSA-N 447.341 1.745 30 10 IDEE C[C@@H]1C[C@H](CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267549252 LAXLUDKCALEPAM-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE C[C@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2319290097 BPOISCDBLCCEMN-CQSZACIVSA-N 449.338 1.383 30 10 IDEE O=c1c(Cl)c(NN=Cc2cc([N+](=O)[O-])c(O)cc2O)cnn1[C@H]1CCS(=O)(=O)C1 2322614715 WRCGCILHPUXVPN-VIFPVBQESA-N 443.825 1.022 30 10 IDEE Cc1c(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2334270321 AACWXQXVPFPEDF-OFQRWUPVSA-N 446.357 1.765 30 10 IDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2367819364 SIJPEQRNFQLUEK-KNKQGSTJSA-N 434.558 1.755 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCN1CCOCC1 440387280 QYHNOIPSHJUROS-HNNXBMFYSA-N 429.542 1.262 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1C[C@@H]1CCCO1 463797442 QHJVJYCGPIAFBR-KRWDZBQOSA-N 443.956 1.856 30 10 IDEE C=CCn1c(O)nnc1SCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 470834528 CEVYWIQQTNCNQA-UHFFFAOYSA-N 440.551 1.217 30 10 IDEE CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@]2(CCOC2)O1 485047422 CRFVKAWJPMLLBC-NRFANRHFSA-N 427.436 1.618 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)cc1C#N 489669793 WBUMQBHKAQUIDS-INIZCTEOSA-N 435.303 1.886 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 494230663 LZRHIADCPKVGHP-CNNODRBYSA-N 431.968 1.894 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4ncccc34)CC2)cc1 503966180 URXBKYNPIUORRV-UHFFFAOYSA-N 442.522 1.802 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)co1 534426835 NFQILMOBAYSRTL-HNNXBMFYSA-N 434.499 1.555 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1cc(C)ccc1F 539598817 TYLUJHCLFMSJOV-UHFFFAOYSA-N 438.484 1.308 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)Cc3cn(C)nn3)nnc12 543831388 MRYJFSWJUIDEBQ-UHFFFAOYSA-N 438.517 1.500 30 10 IDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N2CCNC2=O)CC1 549275648 HETOFEAPTKDUSQ-UHFFFAOYSA-N 434.508 1.491 30 10 IDEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 566922276 MMIQHMKDCXVURE-UHFFFAOYSA-N 427.900 1.510 30 10 IDEE COc1cc2nc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(=O)n(C)c2cc1OC 590432564 LNTNNKLUFSSMHT-UHFFFAOYSA-N 434.456 1.180 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@H]1CCCO1 603798948 QBJHHEVCSNTVSW-CYBMUJFWSA-N 447.919 1.687 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 603800379 VQRUENFYZIALJO-MRXNPFEDSA-N 442.497 1.025 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1Cc1ccccc1 610244866 JCDDOWDCDVEIDS-UHFFFAOYSA-N 430.489 1.087 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1=O 726043141 KLKGQVGDFKSZEC-UHFFFAOYSA-N 438.318 1.775 30 10 IDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2-c2cccc(C)c2)CC1 727414982 GAOHXIYMXKWDLO-UHFFFAOYSA-N 448.548 1.468 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br 732651100 VPJPWRXORIAPRV-AWEZNQCLSA-N 441.351 1.512 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)c2)cn1 748096344 VMDSLFMTLDMDOK-QGZVFWFLSA-N 431.566 1.441 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(Br)c(F)c2)c1=O 758074902 CKVKUYPBIFTRBB-UHFFFAOYSA-N 446.301 1.250 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C1=O 771436479 CWMQYQUTRGWSMH-FGZHOGPDSA-N 442.472 1.122 30 10 IDEE NC(=O)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC[C@@H]2CCOC2)cc1 784126575 ZBFXQGGRQMMDRC-CXAGYDPISA-N 430.530 1.812 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCC2CS(=O)(=O)C2)C1=O 786686806 HRUZBLAZNOUBPA-KRWDZBQOSA-N 435.571 1.678 30 10 IDEE C#CCn1ccc(CN(CCOC)Cc2nnnn2-c2ccccc2Br)n1 789325246 AFMFALXTUOZRNV-UHFFFAOYSA-N 430.310 1.903 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(F)c1 793735536 XZMPARXBFNCRLR-SFHVURJKSA-N 437.475 1.332 30 10 IDEE C[C@H](OCC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)c1nccn1C 805861632 UXKDKNRULOTKKB-FUHWJXTLSA-N 435.488 1.791 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCCOC2(C#N)CCOCC2)C1 809083222 DCZAEMVCFURWGT-INIZCTEOSA-N 441.506 1.325 30 10 IDEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(Cl)cc1 811884131 AQXOLTHMTQWJGR-GOSISDBHSA-N 435.937 1.900 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1CCCO1 812260316 WJWBQDXIXVCRIZ-JOCHJYFZSA-N 446.555 1.488 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 919754644 VPOBBKHTYSDETJ-UHFFFAOYSA-N 446.504 1.483 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1136085967 DTKRGXOEMAYJIM-OYHNWAKOSA-N 445.520 1.833 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 1136514956 ZBXGEXHOWICDSQ-UHFFFAOYSA-N 440.521 1.886 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN(S(C)(=O)=O)C2)c1 1141878532 ZLGYGZZWWFLYON-JZJYNLBNSA-N 442.563 1.110 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1150870509 IPFQZNHKPPHEED-VVFCZOMOSA-N 435.406 1.196 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1c1ccc(F)cc1F 1162488750 YCGUZLRDOFTSQY-TWQPLMFFSA-N 433.411 1.596 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167527997 VODAFJDWNFEKEN-UAGQMJEPSA-N 445.520 1.753 30 10 IDEE C#CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1206409870 FZKPQDFSOMEEHM-QWHCGFSZSA-N 441.472 1.664 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 1231213904 CZNIBDVYBWWYTH-UHFFFAOYSA-N 436.534 1.609 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)N3CCO[C@H](C#N)C3)c2)nn1 1233822723 XRJBYAJMMZIRPJ-GOSISDBHSA-N 441.492 1.726 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)ccc1F 1279485073 ZHNZRQYOOVAWKM-UHFFFAOYSA-N 432.539 1.767 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286387023 MSBVMFHAUJLNDK-HOTGVXAUSA-N 432.550 1.205 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1286421136 BUDGQVXDXGBVJZ-FQEVSTJZSA-N 443.349 1.987 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(C)=O)CC1 1286433619 YCHHUYLEFIVZAL-SFTDATJTSA-N 427.549 1.724 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-c1cnn(C)c1 1286464935 HGMTVFOJIIPMOA-HXUWFJFHSA-N 433.516 1.764 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1 1286581978 PHMAYMKVGWSNAY-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)C1 1286808734 NFXCHNUCKABKPB-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1286949900 PUUANAZUXUBFFD-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1287090326 YCPOJJRSKVLUSC-YQVWRLOYSA-N 442.520 1.835 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1288505885 CYAMFXWDMQIJGL-CYBMUJFWSA-N 438.941 1.644 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1c(C)oc(-n3cccc3)c1C#N)CCS2(=O)=O 1289582580 NZFZJNHUBYEVPF-FAGJFJLWSA-N 445.497 1.879 30 10 IDEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1297039209 HSRXIPPTKSADBP-UHFFFAOYSA-N 435.546 1.909 30 10 IDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1=O 1300155154 GQIGXMHADQGZFI-JTHBVZDNSA-N 437.588 1.972 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300404543 XZUBETVDVTWEEK-CALCHBBNSA-N 432.550 1.502 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCS1(=O)=O 1300512050 GAUWJAHKBYHLEQ-UHFFFAOYSA-N 448.552 1.910 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2nccs2)CC1 1300685221 JMGDSBSHKPULHY-OAQYLSRUSA-N 430.578 1.775 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301170051 MOPXNSPEOROMEH-UHFFFAOYSA-N 426.525 1.457 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1301204680 WMXFRGOWEDRDES-UHFFFAOYSA-N 446.533 1.061 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1301223446 VPGKNEWVWWAGHH-QGZVFWFLSA-N 437.570 1.256 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](COC(C)C)C1 1301507057 VEPQJUPAWROHNC-SFHVURJKSA-N 431.512 1.940 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCNC(=O)CC2)cc1 1301529971 OPZDKKDRBOBAQU-RXVVDRJESA-N 441.532 1.942 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccncc2Cl)C1 1301539247 PFILQRRQJSYIIS-UKRRQHHQSA-N 440.957 1.766 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1301652937 PSDBIOIJJMUTEO-UHFFFAOYSA-N 436.520 1.825 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1303635566 HTNOCDFWONRLTI-ZDUSSCGKSA-N 434.522 1.711 30 10 IDEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)n1 1304893836 BWULOWBBFUTMQA-UHFFFAOYSA-N 429.506 1.622 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O 1306016460 SNUWSIPRIZOJCD-UHFFFAOYSA-N 433.442 1.823 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CN(C)c2ccccc2)CC1 1310656269 DGSCQYFDRLWXOH-UHFFFAOYSA-N 441.557 1.940 30 10 IDEE CN(C)CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1314670072 ATIPMWDQVMBVPU-QFIPXVFZSA-N 447.543 1.981 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCC[C@H](O)C1 1316205502 GMNGCQRYNLBZNL-BWPNAZKDSA-N 432.569 1.730 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1Cc1ccccc1 1319571487 HLAZOADEGRQOND-UHFFFAOYSA-N 449.507 1.911 30 10 IDEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CCOCC1 1350776328 GOXYZDMLWOEHAY-INIZCTEOSA-N 442.559 1.463 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCCC 1358886199 ZPNFFFPQVRUROY-OAHLLOKOSA-N 431.566 1.612 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCOC(F)(F)F)CC1 1359027976 BXFXFIQOVYPONU-UHFFFAOYSA-N 430.475 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)N(C)C)CC1 1359030977 LXUKUWLDHWSQPJ-UHFFFAOYSA-N 449.328 1.690 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCNC(=O)C2CCC2)CC1 1359044183 YMSKTTWBTRNDET-UHFFFAOYSA-N 437.548 1.545 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359226655 JHEFWTXGYTXWEO-ZWKOTPCHSA-N 429.525 1.232 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359287855 ZHSFMYNKEGUFBP-CYBMUJFWSA-N 437.551 1.073 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1359632571 KHKNTXOOUHAVML-QFBILLFUSA-N 440.504 1.682 30 10 IDEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1359811124 DVWNXJBUYPSQGX-KRWDZBQOSA-N 425.490 1.026 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1447348697 QWRYEUDIUJUIRP-HOTGVXAUSA-N 434.489 1.995 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(Br)c(CO)c1)c1cc[nH]n1 1452625449 RMULALHRNZIZKW-UHFFFAOYSA-N 425.239 1.587 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1453075255 NQPNSDGXYWOHJN-IBGZPJMESA-N 449.573 1.844 30 10 IDEE C#CC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CC1 1453844799 GROPYOQLNHCTHP-GOSISDBHSA-N 434.290 1.203 30 10 IDEE NS(=O)(=O)c1ccc(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1460862458 ZUKIIDKAERYCLW-UHFFFAOYSA-N 437.521 1.813 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCN3CCOCC3)[C@@H]3CCSC3)cc2C1=O 1468561094 MBVQUFVVMFUXDY-QGZVFWFLSA-N 429.542 1.749 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 1468607775 JVFIGHRRFLIBEK-MRXNPFEDSA-N 431.514 1.506 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC4(CC3)C[C@@H](O)CCO4)C2=O)cc1 1472016542 MQJVZORWLCDBRL-ZWKOTPCHSA-N 426.473 1.296 30 10 IDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)c1 1492626619 FZFZXJJLSLSWEH-UHFFFAOYSA-N 440.533 1.104 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CCO1 1503783051 OGIZBBSKAZUSEQ-HKUYNNGSSA-N 440.504 1.107 30 10 IDEE CS(=O)(=O)CC1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CC1 1505126617 GUQCMHVUJYCTSS-UHFFFAOYSA-N 434.566 1.355 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1507564041 LVXVCMFFPIQJNP-MRXNPFEDSA-N 438.579 1.507 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507564265 NZJDRFGFMORDTA-SFHVURJKSA-N 448.593 1.322 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(OCC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1507633309 FUBBJBLHEWPDTR-GOSISDBHSA-N 429.546 1.699 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507633353 CWOHIOSZOYIZFW-QGZVFWFLSA-N 426.502 1.235 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1507641947 FUQAXRUWJAYQRF-AWEZNQCLSA-N 444.542 1.726 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(C)(C)O)c1 1507713459 KPNJCDMAPAJDKZ-UHFFFAOYSA-N 425.533 1.762 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1507798265 GTVRQTUJRSIZDH-OPYAIIAOSA-N 444.580 1.905 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(N)=O)CC1 1507865619 FGJCDDPJLHIRJK-UHFFFAOYSA-N 437.957 1.692 30 10 IDEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507866636 IBRVWSLXJFSTHC-UHFFFAOYSA-N 448.930 1.934 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(F)c2)CC1 1507884190 FUWBKLIKBNBCJI-SFHVURJKSA-N 435.525 1.955 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1507965637 ULGCJZVDUOSKPS-BZSNNMDCSA-N 441.598 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C)CC1 1508142934 HJPXZICPOXBIQA-UHFFFAOYSA-N 431.566 1.256 30 10 IDEE Cc1nc(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1511564225 HBSKFPVMVSCQBJ-KRWDZBQOSA-N 435.492 1.545 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1512574189 FMTVRTZEDOFPOF-OWZDWXTDSA-N 435.431 1.815 30 10 IDEE CCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516687977 QTDUUYBGMGGLRD-FUHWJXTLSA-N 436.582 1.173 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)c1 1517116372 BZTOTEDSMLUALM-UHFFFAOYSA-N 426.477 1.543 30 10 IDEE COc1ccc(OC)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1518311872 BCCLYRJQHMEUIF-LSDHHAIUSA-N 433.534 1.984 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1518966085 VAYFYDQKZWWBOR-VXKWHMMOSA-N 440.504 1.635 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)c2cccc(OC)c2)ccc1F 1532276598 LOXWIJMPHAAKHO-SFHVURJKSA-N 436.461 1.943 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1539117355 WTNXSWLIVKBTGJ-UHFFFAOYSA-N 440.529 1.323 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1539126506 WRHPHCBDUTWZDR-KURKYZTESA-N 437.566 1.030 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539212707 RQFUERNCRCJNJH-LJQANCHMSA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539216708 WEFFWJUQXBBDRG-MJGOQNOKSA-N 428.562 1.309 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1539370844 HFDQMQAHGLHGLM-KSFYIVLOSA-N 446.552 1.524 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1539391851 KEMWTYXBDZZWDV-KRWDZBQOSA-N 447.536 1.437 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C)n(C)c2=O)CC1 1539443932 BQEWWUPAYHUFQT-UHFFFAOYSA-N 432.528 1.764 30 10 IDEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539505561 YOAXBIBBORSHMS-SFHVURJKSA-N 438.557 1.021 30 10 IDEE C#CCSCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1539530962 QBVHNRUFPUYIPK-YPMHNXCESA-N 445.521 1.775 30 10 IDEE C=C(Cl)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1539793437 DRBNGSZNFMOMOU-UHFFFAOYSA-N 429.912 2.000 30 10 IDEE COc1ccc([C@@H](CNC(=O)c2cnn(CCC#N)c2C)N2CCOCC2)cc1OC 1540083860 FYPBHXWITVMSEO-LJQANCHMSA-N 427.505 1.926 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1540867715 FHMLOFOMBOMJIZ-NYHFZMIOSA-N 439.520 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540905715 ZABMZSOEMHEHKI-SFHVURJKSA-N 445.589 1.835 30 10 IDEE CCC1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1546702412 MCLWKVHVDJOEOF-MRCUWXFGSA-N 441.536 1.553 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC 1547548285 HVLUERJKHCEWCY-GOSISDBHSA-N 432.550 1.761 30 10 IDEE NC(=O)CCC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1556007690 ZSRPBJSGSJFRFD-VZCXRCSSSA-N 441.536 1.554 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)NCC(=O)NCC#N)c3ccccc3O2)C1 1564721228 PVQINYLBFZCGCR-OPAMFIHVSA-N 443.504 1.829 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 1565296469 URXDFERTFVGZNE-UFYCRDLUSA-N 426.565 1.743 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCC4(CCC4)CO3)CC2)cc1 1565353754 WUTJEDAZBAEUSK-SFHVURJKSA-N 432.546 1.923 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1588064286 FKCQBLLCXIYAJX-RTBURBONSA-N 446.573 1.929 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588228747 LFUWYAVWYIQNRT-GOSISDBHSA-N 438.532 1.500 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1588549932 CLACMFDXVXDLHQ-NRFANRHFSA-N 434.537 1.805 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1589530894 ZBCTZPNWMGMYME-AEFFLSMTSA-N 426.525 1.568 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589567663 FYWCRAWWGTWYLX-BJLQDIEVSA-N 448.593 1.744 30 10 IDEE C=CCSCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1595906031 WFZNYAGVFXZTMY-FQEVSTJZSA-N 438.598 1.701 30 10 IDEE C[C@@]12CN(C(=O)COc3cccc(Br)c3C#N)C[C@]1(C)CS(=O)(=O)C2 1597159040 RNHWWLJFAHENQV-CALCHBBNSA-N 427.320 1.983 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1611286546 HQGMFIFGNQOXDY-HNNXBMFYSA-N 433.534 1.628 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1615101133 SYXDYVLQWAFOAS-SFHVURJKSA-N 438.536 1.244 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1615956818 XLTUGSIDMSRVDF-UHFFFAOYSA-N 433.463 1.950 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@@H]1CC 1617221192 SLYDILVDLIVXNU-FQEVSTJZSA-N 449.563 1.931 30 10 IDEE CN1C[C@](C)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1618458301 LOENQZBFXJBNCD-LAUBAEHRSA-N 442.545 1.167 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1620111503 WMGBXPFCVKPTSU-VMOBSNDRSA-N 425.555 1.278 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4cn(C(F)(F)CO)nn4)CC3)n[nH]2)cc1 1628706662 RSFSFZNECVKLGE-UHFFFAOYSA-N 428.403 1.044 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2=O)cc1Cl 1632132489 HNONLGKFHNWCCE-INIZCTEOSA-N 446.916 1.669 30 10 IDEE CCCNC(=O)C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1632986302 YREVTVRYXIEOHE-GOSISDBHSA-N 425.489 1.528 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(CC#N)n1 1633131209 XVLMLNCCUGVXRT-MRXNPFEDSA-N 434.905 1.973 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4sc(S(N)(=O)=O)cc4C3)n[nH]2)c1C 1633359639 IBVKYKMXSYILSO-UHFFFAOYSA-N 446.558 1.983 30 10 IDEE COC(=O)c1cnc([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)s1 1633937634 JGCDUSOOYBMWMC-CQSZACIVSA-N 448.526 1.486 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1636035609 CEHOHAFTGVJOQF-QZTJIDSGSA-N 442.520 1.637 30 10 IDEE CN1CCN(C(=O)CN2CCC(N(C)c3cc(Br)ccc3C#N)CC2)CC1 1642227572 WXEDRJDEBHUGTL-UHFFFAOYSA-N 434.382 1.995 30 10 IDEE N#CCCN1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1643822426 RJOHJIHJVIGVGN-UHFFFAOYSA-N 432.322 1.578 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 1644151709 JCLWYXUZZQZLRD-MSUUIHNZSA-N 442.438 1.839 30 10 IDEE Cc1c(C#N)c(=O)n(CC2CCN(C(=O)OCc3ccccc3)CC2)c(=O)n1CCO 1644184284 ZYIKNRJEGTUZGR-UHFFFAOYSA-N 426.473 1.231 30 10 IDEE CC(C)(C)OC(=O)C1(NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOCC1 1647851036 RJJFVDQLFWBGTN-QGZVFWFLSA-N 448.589 1.937 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)Cc1ccccc1 1648156186 YSRFGRKNZCLFGO-NJNPRVFISA-N 447.557 1.909 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3ccc(Br)cc3Cl)C[C@H]1CS(=O)(=O)C2 1648500861 UOZUBIDQEHPVKY-ZUZCIYMTSA-N 432.727 1.911 30 10 IDEE COc1ccc(N2CCN(C[C@H](O)CN3CCc4c(sc(N)c4C#N)C3)CC2)cc1 1648528754 NLKZDBRPJQGJJX-KRWDZBQOSA-N 427.574 1.752 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1 1648640920 DJVUUDPRXYDAMA-UHFFFAOYSA-N 437.504 1.869 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(n4cc(C(N)=O)nn4)CC3)ccc2c1=O 1648922197 WIGBCCPVZASNTL-UHFFFAOYSA-N 439.501 1.039 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C1 1651801590 BHVSSKQECFKRBW-CQSZACIVSA-N 428.352 1.527 30 10 IDEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1654347821 HHXRRBZVRSSMOG-KRWDZBQOSA-N 435.546 1.189 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OC 1656973829 MZNHANMDYAVREY-GFCCVEGCSA-N 437.287 1.863 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCC)c(C(C)(C)C)c2)CC1 1662587814 IPSXFOWLUPQFFT-UHFFFAOYSA-N 435.590 1.829 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 1665032460 GMQYYUUOLGHREL-UHFFFAOYSA-N 440.525 1.542 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 1686918239 HVEUBRXZMDBQOS-LJQANCHMSA-N 428.470 1.985 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1689928540 QFFZNYJDEBRHID-HZPDHXFCSA-N 426.525 1.471 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCN1CCCS1(=O)=O 1690091150 KJFWWMIFEDWBPY-SFHVURJKSA-N 447.536 1.596 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](F)COC 1690091191 LNHGBHOGPALTTM-SJLPKXTDSA-N 438.500 1.944 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnn2)CC1 1690126101 UCIZVLZGULXIHG-UHFFFAOYSA-N 426.475 1.584 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC2CC2)CC1 1690144268 RXXIQSUMEAJARB-GOSISDBHSA-N 428.537 1.012 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690247471 BGMNJQJHMJNYBZ-QRFRQXIXSA-N 431.562 1.868 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cc2)CC1 1690375245 DRIYKWPNCGPEIR-GOSISDBHSA-N 435.525 1.955 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1690473664 CSBZYNPOMJUHKU-NRFANRHFSA-N 446.577 1.863 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC=C(Br)C1 1690669843 QHUQAUWUNBFVFH-UHFFFAOYSA-N 449.309 1.797 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(C)(OC)C1 1690723971 FIIUUIKTHKNEQT-QGZVFWFLSA-N 434.518 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C)CC1 1690724974 ZYOLFPZBXNIEGU-HOTGVXAUSA-N 430.596 1.407 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C#N)CC1 1696505784 IRONYJJIPJYDKF-UHFFFAOYSA-N 438.504 1.826 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1697778943 DVQARHMEAXBKEI-QZTJIDSGSA-N 441.511 1.802 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1698298661 STEOYUAAIFZJAU-ZWKOTPCHSA-N 431.518 1.246 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1705477196 KHBNIBGFOICABF-MDOVXXIYSA-N 436.509 1.565 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1705495775 VHRJZAWEXUUBAV-LPHOPBHVSA-N 447.561 1.264 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705560536 HVRYDMHZBTWOAM-MRXNPFEDSA-N 448.545 1.360 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705568240 JQRUBWKFWAKTNK-IAGOWNOFSA-N 435.550 1.337 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705570546 RFUMEKPPZXQLFP-HXUWFJFHSA-N 431.606 1.899 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OCC(F)(F)F)c1 1705571942 LZEBLLDPVIOHQQ-UHFFFAOYSA-N 434.422 1.874 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCOCCN(C)C)CC1 1705647443 FCOWXTYSSMTSIX-LJQANCHMSA-N 432.569 1.064 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705660197 PFSLLXBCJGPPFV-OAHLLOKOSA-N 427.596 1.057 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1705805938 SRCFNMZKNACGLI-MAUKXSAKSA-N 426.518 1.409 30 10 IDEE C=CCn1c(C(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705885804 OCSJKJHUWFUFAZ-KFWWJZLASA-N 425.555 1.714 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2cc(Cl)ccn2)nnc1[C@]1(OCC)CCOC1 1705908503 QSEKKYCTXZCUDW-FQEVSTJZSA-N 434.928 1.917 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(F)F)c1 1706891485 VPCIJGVPNOMQPO-IUODEOHRSA-N 440.476 1.603 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCOCC1(C)C 1709136970 DYHPIAPNUBWMKQ-UHFFFAOYSA-N 441.584 1.192 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712885099 YVQFWKUGDPBCEH-MSOLQXFVSA-N 447.490 1.349 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@@H]1C 1722346786 WVMUVOMXTPBIHC-HRAATJIYSA-N 431.562 1.816 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1722415235 BCYXUQHKYVEMAT-UHFFFAOYSA-N 426.502 1.639 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722440524 AXWDZTJHORSYND-UHFFFAOYSA-N 427.496 1.401 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2cccc(F)c2)CC1 1722447269 KOUURAUQXBFXIA-SFHVURJKSA-N 441.507 1.966 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(OCC(N)=O)CC1 1722511190 XNXQFSXHEFZTQP-GCJKJVERSA-N 440.548 1.716 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](COC)C1 1722693184 GBFDSEDLGZUJQI-CYBMUJFWSA-N 439.314 1.190 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722695306 ZCOWHRMSHPEJEB-OAQYLSRUSA-N 448.575 1.335 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CC(N)=O 1722724913 ASRVEUJCXVLKDE-CYBMUJFWSA-N 425.942 1.899 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCS(=O)(=O)CC2)CCOC1 1723662173 BNMPVQXEEQPRON-JXFKEZNVSA-N 439.582 1.882 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1723778615 HHEHVLYWLQLATH-RDJZCZTQSA-N 436.582 1.930 30 10 IDEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1730116903 SQCUCMNPZGCOEH-FCHUYYIVSA-N 426.496 1.992 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740570168 BORLADVHMAUCOS-RBUKOAKNSA-N 425.537 1.751 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 1740637528 DLUGOQATRPQLGW-UHFFFAOYSA-N 432.532 1.051 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1CC 1740657445 SFWRXMKMFXPOBH-AABGKKOBSA-N 447.605 1.900 30 10 IDEE C=C(C)Cn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1740784895 BQGCALRBMZMLEV-LEDOBFOHSA-N 446.596 1.495 30 10 IDEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740864138 FQOQCZOGGVRVKR-KRWDZBQOSA-N 426.496 1.511 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1740898948 BCFRQWGUJGLEGU-BEFAXECRSA-N 427.571 1.174 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1740942923 SDQZJFLQDGFIOO-CQSZACIVSA-N 438.529 1.549 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(CC=CCC2)C1 1740951935 QOJKMKKFANJOKV-OXQOHEQNSA-N 436.582 1.517 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740960690 XXSDQPIXTVPYJP-OAHLLOKOSA-N 437.504 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(CN2CCOCC2)CC1 1740985595 JPXLPUAGBHNCSC-GOSISDBHSA-N 439.626 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1740993114 SWIHLVWAFARWAB-QGZVFWFLSA-N 431.562 1.445 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1741285493 WKBZWMGSDUQLHP-GOSISDBHSA-N 437.504 1.620 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1741924656 CGKHDSNXOLQLLJ-HWPZZCPQSA-N 444.443 1.106 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1741930528 GYZKYTBNHHMJLZ-FTRWYGJKSA-N 446.581 1.477 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748811397 GIJRCDAMSYYTLF-IEBWSBKVSA-N 446.577 1.813 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748812621 YDKVTOWXNCTLFT-WQIZZMQYSA-N 435.575 1.201 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1748999174 LFRUNMUTWTYZMR-UHFFFAOYSA-N 445.527 1.463 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1749103512 AGAUESZOXXFWJO-ZDUSSCGKSA-N 448.387 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749729785 SBKKEDJPWZBZPY-DYESRHJHSA-N 447.561 1.715 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1760097015 YYEYMGRBADEXAI-HNNXBMFYSA-N 444.923 1.178 30 10 IDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1760138613 CTCSLEGXMZYBSA-MRXNPFEDSA-N 432.525 1.326 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760181987 GIKFJFOSSCSYCS-QGZVFWFLSA-N 437.610 1.851 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1760183686 QODDZLCAICOSAC-DLBZAZTESA-N 434.518 1.279 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1760192481 JIKXUIWJXAOWDI-GUDVDZBRSA-N 435.594 1.488 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760195592 FFNQCIQLHLTGLB-NRFANRHFSA-N 434.562 1.360 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1760248918 FTSJKXHSUOWLMB-DNVCBOLYSA-N 438.575 1.235 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)C)CC1 1760272621 QCEVZZNGILCILV-UHFFFAOYSA-N 434.610 1.868 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1(OCCOC)CCOCC1 1760294276 SMABYTFSHCQLNI-DYESRHJHSA-N 431.537 1.434 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1760315771 ISIWSPMKMBAYEQ-TWMKSMIVSA-N 441.598 1.873 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760356045 DWTCGKCWTDYGMW-UONOGXRCSA-N 444.458 1.327 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)S(=O)(=O)CC)CC1 1760396103 IDHQAIUUTHNHJN-UHFFFAOYSA-N 426.587 1.490 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760399246 FNCLJHFJOYZZSG-NRFANRHFSA-N 432.546 1.906 30 10 IDEE CC(C)Cc1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761031026 DIMAZEVDVXFMMD-QZQOTICOSA-N 429.569 1.924 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CC1 1764176032 AVGYQMRQIDBHFD-UHFFFAOYSA-N 438.536 1.315 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1764754650 DAIHVCMWFUBPJE-GOSISDBHSA-N 442.545 1.356 30 10 IDEE CCS(=O)(=O)NCCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768286646 YDTSVAQEZOEKDB-GOSISDBHSA-N 435.598 1.442 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1768293025 RBCOBYNTLBSZFD-MOPGFXCFSA-N 444.561 1.761 30 10 IDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)CC1 1770681035 CCLIALSQUVWFSE-UHFFFAOYSA-N 442.520 1.449 30 10 IDEE COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1770989518 JVMASHMPJDVJHM-UHFFFAOYSA-N 439.520 1.768 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1771443108 CARJHWAHKQAMBQ-NFPAXOPASA-N 445.549 1.087 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1772660274 RGHFEEHFARLAEU-NRFANRHFSA-N 440.529 1.134 30 10 IDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCN(C)C1=O 1848892280 GALGIPGFGARQHK-IUODEOHRSA-N 433.452 1.618 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CN(CCOC)S(C)(=O)=O)ccc21 1850215997 ULMLWOXUXTVIQZ-UHFFFAOYSA-N 439.534 1.471 30 10 IDEE Cc1ccc(N(C(=O)[C@H]2CC(=O)N(C)C2)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1850588930 RPSDDAANHIOYCP-INIZCTEOSA-N 443.529 1.812 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)COc2cncc(Cl)n2)cc1 1853309785 ALFPMCUQCDLWKO-QGZVFWFLSA-N 432.864 1.703 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](N(C)CCC#N)C2=O)c1 1854338633 PZCBIWFKVNQMQL-RBUKOAKNSA-N 432.546 1.511 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCN(S(=O)(=O)C(C)C)CC3)C2=O)cc1C#N 1854634843 RTXYJSBJSIEILZ-IBGZPJMESA-N 432.546 1.354 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN1CCC(F)(F)CC1 1855975164 ANDIKXLTECINFP-UHFFFAOYSA-N 440.472 1.368 30 10 IDEE CS(=O)(=O)N(C1CC1)C1CCN([C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1856795030 DWMAOOUGAJMPRV-LJQANCHMSA-N 430.530 1.188 30 10 IDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1856962692 HSCIUXIMYFMTBT-QGZVFWFLSA-N 435.521 1.990 30 10 IDEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862633704 NXZVBVKVEKCRQW-GOSISDBHSA-N 442.380 1.990 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)COCc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004831 NARGNBFLXVSKLW-GOSISDBHSA-N 445.545 1.971 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 1870098456 FMXLIDTUYORGDT-UHFFFAOYSA-N 445.457 1.974 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCCOC(C)C)ncnc21 1875229400 XMXKIHIPZOSTAI-UHFFFAOYSA-N 430.553 1.594 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1889947399 YFNMFYOYJWUZGR-DLBZAZTESA-N 445.501 1.391 30 10 IDEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1[N+](=O)[O-] 1890242816 SRVOVGHHLTVLOJ-UHFFFAOYSA-N 430.505 1.475 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1984990671 NMWBCOOAZXVKGM-OWCLPIDISA-N 425.526 1.637 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1985006836 JCGPJSBFYZKRDE-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2009854308 PPXDVTHXOJNXCA-SPLOXXLWSA-N 439.509 1.874 30 10 IDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)nn1 2124521951 NFJBGOHSYAVDGN-XRGAULLZSA-N 447.345 1.932 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCNOCc3ccccc3)cc2)OC1(C)C 2247950943 FDCFTLMULLNZBO-UHFFFAOYSA-N 432.351 1.986 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248415570 CJHDFQXBARPUNN-LBPRGKRZSA-N 436.343 1.504 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248586434 AWATZOKCDPQENG-OAHLLOKOSA-N 432.307 1.842 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255633205 XPZDRZWVDYWCJK-UMVBOHGHSA-N 432.330 1.694 30 10 IDEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255668736 DJPPBKZZPGVERL-UKRRQHHQSA-N 432.330 1.761 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(Cc2ccccc2)C1 2255692729 DDTNJKQTGFMKAG-KRWDZBQOSA-N 425.342 1.461 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255876927 RUFKAKJJVCBJBC-ZIAGYGMSSA-N 432.330 1.904 30 10 IDEE CC1(C)OB(c2scnc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256922243 DTZSLTWSCVJXBJ-UHFFFAOYSA-N 445.350 1.759 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2256928279 JPBXLWOVUKEQGT-MRXNPFEDSA-N 445.350 1.757 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258225474 JKBXHUPEBKKQMI-LLVKDONJSA-N 430.236 1.382 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)n[nH]1 2267142041 OSXMGRWXKIVXSN-JTQLQIEISA-N 447.305 1.665 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)cc1B1OC(C)(C)C(C)(C)O1 2267543074 BFMBDSGWHBJLBE-SQWLQELKSA-N 446.357 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2272653829 YSHDMJASHPKWHC-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304808455 OVKHVXOOMPSFNI-UHFFFAOYSA-N 425.310 1.843 30 10 IDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)CN(C)C(=O)OC(C)(C)C 2315601832 JFECIMIZRNUCQF-CQSZACIVSA-N 436.362 1.952 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OC 2329013028 DXPSERJMDVPULV-CQSZACIVSA-N 446.533 1.479 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2C1=O 15718535 JYIYGZVNYINJJR-UHFFFAOYSA-N 439.493 1.922 30 10 IDEE C#CCCN1C(=O)[C@@H]2[C@H](c3ccc(-c4ccccc4)cc3)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 248226166 JFWMFOFGSRCNIP-UKDJSQQHSA-N 446.459 1.921 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCN(C)CC2)cc1 461285230 SBSKNXAYGJTIOT-UHFFFAOYSA-N 434.606 1.831 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc(C(=O)OCC)cs3)CC2)C1=O 469952383 HDNUQGDLBUEIJE-UHFFFAOYSA-N 434.474 1.003 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1N(C)C 471709420 PARZZIKXKMMPPG-UHFFFAOYSA-N 448.570 1.628 30 10 IDEE CNC(=O)c1cc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1C 480614135 KCEAYNAFRZTHEZ-SFHVURJKSA-N 435.937 1.609 30 10 IDEE Cc1ccc(CN(CCO)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 483166710 GVJDUDWKAXUANM-UHFFFAOYSA-N 439.472 1.851 30 10 IDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)c2C1 487695471 GRDMVEYOFVFBNW-IPJUCJBFSA-N 436.516 1.968 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 506268362 IFNDZXYTXCNPFR-UHFFFAOYSA-N 425.533 1.668 30 10 IDEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508462002 RGWDCBRYOMKIJB-UHFFFAOYSA-N 444.967 1.689 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N(C)Cc1ccnn1C 508808961 JFXIDSAEVIPQJR-UHFFFAOYSA-N 434.548 1.792 30 10 IDEE COc1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 511684716 XSMGIDJFKQHLKH-KRWDZBQOSA-N 433.461 1.850 30 10 IDEE Cc1cc(C)n(CCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 514563994 LQDYHGNLBKMWNC-UHFFFAOYSA-N 430.534 1.478 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2)c1=O 522110326 JXBYDRRSVFDVRY-UHFFFAOYSA-N 428.485 1.874 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 522507884 KCNRBHAVDGCSCY-UHFFFAOYSA-N 430.461 1.417 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 531050231 KTTHPQDFNHEDSL-UHFFFAOYSA-N 446.573 1.426 30 10 IDEE CO[C@@H]1CC[C@H]2OCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@@H]2C1 535104715 BYSMJBOXBFNVPO-HMXCVIKNSA-N 447.557 1.754 30 10 IDEE COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NS(=O)(=O)N(C)CCC#N 535329772 YGQQAHISBSCPIS-AWEZNQCLSA-N 443.323 1.694 30 10 IDEE COc1ccnc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)n1 537162092 LNKPBRPQWOXHPU-KRWDZBQOSA-N 441.561 1.078 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)C1=O 544598013 QEBLUIXLZTYWTI-INIZCTEOSA-N 427.592 1.860 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCOC3)CC2)c(F)c1 550053129 GNDQLNHZWXNCNB-FXAWDEMLSA-N 442.495 1.740 30 10 IDEE C=CCOC[C@@H]1NC(=O)N([C@@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)C1=O 552737307 JYFQJFVOKCOJNN-KSZLIROESA-N 443.500 1.793 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCCO3)CC2)nc1 555485996 YHZSSCFPFLSOCR-MOPGFXCFSA-N 439.520 1.528 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccc4ccccc4n3)C2=O)cc1 555957804 PWLIYYAHQCBHNF-OAQYLSRUSA-N 427.464 1.640 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)c1 571456820 HAYBRACVRTYYJM-UHFFFAOYSA-N 434.468 1.854 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)ccc(F)c2C1 574368653 PNEJSBLBYULXJN-KRWDZBQOSA-N 439.488 1.638 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)OCCOCCCC)cc21 586355425 GBSVGNTYMHEPRG-PMERELPUSA-N 437.514 1.889 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 610111062 NZGSXXRZFCZDLJ-AWEZNQCLSA-N 434.254 1.358 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)CCN2C1=O 611057112 HBMLJYKWVZHDLR-HNNXBMFYSA-N 438.469 1.115 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn3ccccc23)c1=O 729670548 IQLLDDPXPUPEAG-UHFFFAOYSA-N 433.493 1.380 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730138798 NCIQNXIPUQBLDE-IBGZPJMESA-N 445.589 1.311 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CS(=O)(=O)NC(C)(C)C)nc1C 731784642 AQOGNWWDVHWCMT-UHFFFAOYSA-N 430.581 1.841 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Br)c1 732669792 RIAKWJFWPOMTRD-CQSZACIVSA-N 442.335 1.987 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(F)(F)F)C1=O 735226217 TYBRDHJBBIGKNE-AWEZNQCLSA-N 446.451 1.977 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NCCc1nc2ccccc2s1 741341391 BHQFAHFRMSQOLA-FMQUCBEESA-N 428.470 1.415 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1C#N 747494709 DBCIOMYGNYWCPE-UHFFFAOYSA-N 435.484 1.523 30 10 IDEE C#CCN(C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 753369139 ALTUVSQCHPMPKV-JXFKEZNVSA-N 427.567 1.856 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758611905 HFYYBEWZJWKHKA-KYJSFNMBSA-N 440.504 1.843 30 10 IDEE COc1cc(OC)cc(N2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1 758753266 GISBIUZUKRSNBY-QZQOTICOSA-N 443.504 1.452 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(OCC)c2)C1 760323117 NHBFKNCAEDJFHO-NVXWUHKLSA-N 447.561 1.957 30 10 IDEE C#CCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 760335673 BGWLEXWHLAKRPU-ZDUSSCGKSA-N 439.843 1.411 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 769106210 PTSHGUBJBHIYBH-YWMAMYRUSA-N 440.422 1.682 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@H]1CCS(=O)(=O)C1 774191360 HGUKIEXXKWWZSM-HOTGVXAUSA-N 425.938 1.759 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc2n1CCCC2 784490712 JSBUZMDZJURRHV-MRXNPFEDSA-N 444.561 1.427 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)n1 788599207 QXLUCKRHODSETP-UHFFFAOYSA-N 449.508 1.876 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)n1 788820551 SJYLQNPHWZFTAJ-QFIPXVFZSA-N 439.491 1.859 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)cn1 790016156 CWTDQOIPRXFOLB-MRXNPFEDSA-N 436.582 1.208 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 793412654 BOFPQFWRCGJPQQ-UHFFFAOYSA-N 440.544 1.882 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 794581796 VBESKGSXBSOWET-INIZCTEOSA-N 441.553 1.839 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@]2(CCCOC2)C1 804133674 XNRMGGHCXPZICP-NRFANRHFSA-N 435.546 1.694 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 804716733 BBUNLKBFCSCTNB-SFHVURJKSA-N 430.523 1.217 30 10 IDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCCO3)n1 807934598 IAMCOPOJOXVIDP-KRWDZBQOSA-N 442.501 1.387 30 10 IDEE CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 815895377 PCFPXFBZSKFSDX-FQEVSTJZSA-N 429.498 1.724 30 10 IDEE C[C@H](O)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OCc1ccccc1 816748301 WAIGDGSNTSQFIY-YWZLYKJASA-N 430.482 1.082 30 10 IDEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CCS(=O)(=O)C2)C1=O)NC1CC1 914551373 BMPJEZOCACBKEA-GJZGRUSLSA-N 425.507 1.613 30 10 IDEE CCc1c(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1134507473 UINFNZDHBUJOTI-SFHVURJKSA-N 433.468 1.280 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)OC)c1 1136658300 UKBXYGHDHAVNGJ-SFHVURJKSA-N 429.494 1.951 30 10 IDEE CN1CCN(C)[C@@H](CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1136761391 KEZOLQDDYHAGTQ-AZUAARDMSA-N 427.549 1.755 30 10 IDEE N#Cc1cn(CC(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c(=O)nc1O 1138319093 IEAYAGNGZKGWDG-IBGZPJMESA-N 432.436 1.464 30 10 IDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F)c1cc[nH]n1 1154025560 IGVZEPAFPDKLKK-OAHLLOKOSA-N 442.394 1.646 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 1160002442 UKODCFOAAUHCMM-NYSBEXSLSA-N 431.489 1.552 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 1196632808 ZWNASIIRDMLWHC-UHFFFAOYSA-N 426.517 1.808 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2)NC(=O)NC1=O 1251866713 REAGIEIPDKPAQO-GBXCKJPGSA-N 446.511 1.661 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)OC)c1 1286310333 CTZVLAJRFUHZHD-WBVHZDCISA-N 445.545 1.271 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1286390281 ZYAALAWEMYAOQS-QZTJIDSGSA-N 447.561 1.486 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1286391627 FFODOHAOTDOBJF-CABCVRRESA-N 432.493 1.776 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1286450948 PCGOZBGZXZHQKO-UHFFFAOYSA-N 435.532 1.352 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccnc2OCC(F)F)CC1 1286491187 IIDRWPCDPRHLCP-UHFFFAOYSA-N 432.475 1.894 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1286752000 VMRXCRBPFNWAME-SLFFLAALSA-N 425.537 1.995 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286923003 XOIJVRPBROYOJM-OSCRUYLVSA-N 429.525 1.280 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCSCCCO)CC2)c1C#N 1290577682 PXVFVZPXOQJIMP-UHFFFAOYSA-N 444.609 1.901 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COCCOC)C1 1295056402 BTHKRXACDCBLMP-SFHVURJKSA-N 426.521 1.784 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CC1 1298013033 DKOSPGRGIVWPLG-UHFFFAOYSA-N 436.564 1.123 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1299321858 JQDFMHCACKXTEJ-QAPCUYQASA-N 448.549 1.139 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2cnn(C)c2C)c1 1300332793 OIRSYQQDDUJUAH-UHFFFAOYSA-N 443.515 1.825 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(OC)CCOC1 1300536293 UJAPCMXQBHNUJQ-QHCPKHFHSA-N 435.532 1.330 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1300681133 KQZPGQPPCALBCA-JUXOCIIHSA-N 444.536 1.152 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cnn(-c3ccccc3)c2)CC1 1300681612 VRRXNZBEWGKTIF-UHFFFAOYSA-N 446.559 1.600 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1301297669 SLILPIJLERNEFJ-FUHWJXTLSA-N 435.550 1.701 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCN(CC)CC1 1301305029 NPBXMALVKMCBKW-QGZVFWFLSA-N 431.610 1.918 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1303001452 ZYPYMPQZDSSTPK-KRWDZBQOSA-N 425.468 1.736 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1303003310 FESFMDFPVRMBAK-WMZOPIPTSA-N 426.477 1.036 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1304908355 AAJHXNGTAOVBTN-IWAYBZMOSA-N 442.545 1.307 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 1309749966 MGGFJNJBDVTPRF-UHFFFAOYSA-N 439.563 1.507 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1 1316101207 IREHMJKFSRSJHZ-QGZVFWFLSA-N 429.500 1.849 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1316242295 ROYJJEWGFLNFBM-LJQANCHMSA-N 427.505 1.600 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359095525 PGJLNPJWTZNACZ-GHTZIAJQSA-N 439.564 1.532 30 10 IDEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359118486 MHSFFJQWRRQQQF-UHFFFAOYSA-N 440.548 1.511 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1359357551 JCVLLVVNAFYOPZ-AUSIDOKSSA-N 438.532 1.927 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1360113350 XTCLKCUEWGVSEX-HSZRJFAPSA-N 437.548 1.785 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1440783340 LOLSWGIATXKGAV-AEFFLSMTSA-N 435.569 1.775 30 10 IDEE COC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCC[C@H](OC)C1 1452760334 XCYNQXNDMNPUHK-QILLFSRXSA-N 437.518 1.274 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)c1 1456675112 PVOLWCRCZWYRFP-LJQANCHMSA-N 430.482 1.900 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1468438987 FALJFFMAVCQFMU-JKSUJKDBSA-N 445.520 1.706 30 10 IDEE C=CCN1CCC(NC(=O)N2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1468646925 HHZFVTLFCCMYLE-QGZVFWFLSA-N 436.553 1.688 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)c1 1469166155 FYDLTZMGOUWGNT-QGZVFWFLSA-N 439.534 1.809 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCCNC(=O)CC1 1472360885 ZWMRJCBGEZMJRF-KRWDZBQOSA-N 434.562 1.659 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cs1 1492674841 ISVRCFISIFUKPR-KBXCAEBGSA-N 438.554 1.901 30 10 IDEE CCn1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1=O 1502236678 CINFNPSMPIKLFL-AVRDEDQJSA-N 442.520 1.277 30 10 IDEE CCOCc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1Cc1ccc(C#N)o1 1503116359 GGYRSBUCSPLKQI-INIZCTEOSA-N 427.509 1.910 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1505133887 GQPHBUDTQPTTEQ-INIZCTEOSA-N 439.925 1.674 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1505136085 ARMTYFKVEVNXRL-KRWDZBQOSA-N 430.534 1.325 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507633749 VFQYELHDZWUGDX-WWMYMODYSA-N 436.578 1.350 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1507637228 ITHFAUOTHSWFQH-RTBURBONSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1507665199 LIPWLGDXTASBPW-UHFFFAOYSA-N 432.575 1.115 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(C)=O)CC1 1507704145 QOVXUUIPOSKSTQ-QHCPKHFHSA-N 447.580 1.663 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507743865 LRGNTCMQXBGODB-KRWDZBQOSA-N 434.610 1.472 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1508081973 QSIQFXKYFGYFNE-DOTOQJQBSA-N 441.536 1.992 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1508118182 QFMUATXYXVNYCT-AZUAARDMSA-N 441.580 1.997 30 10 IDEE CCNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1 1515998786 CPSGVEUDKMZOSF-HNNXBMFYSA-N 431.497 1.367 30 10 IDEE COCCN(CC1CCN(C)CC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1534651624 PLNSASDARQRDEV-HXUWFJFHSA-N 441.532 1.580 30 10 IDEE CCOc1ccc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1F 1539118073 GNPHKWXXXVOHAS-MGPLVRAMSA-N 431.283 1.997 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539211441 LTBAPTYJNLEERX-IERDGZPVSA-N 448.520 1.516 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1539222122 TURIMBPSZCLGPJ-AEFFLSMTSA-N 445.520 1.352 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N(C)C 1539259374 CPTVLNMWWKTVGN-UHFFFAOYSA-N 438.513 1.564 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)cc1 1539291174 NMHRLHKKKGFKOY-UHFFFAOYSA-N 434.544 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1539325914 PUNXXRRVASXNNO-SFHVURJKSA-N 435.594 1.900 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1539566753 PQGANQHVMFILBM-NHCUHLMSSA-N 426.546 1.740 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539617216 UYTCZWIHBFNSJE-BBWFWOEESA-N 428.541 1.915 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C)C1CC1 1540107489 BFYYTOWKWPZBRU-AEFFLSMTSA-N 438.598 1.250 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1540199289 YFXKMJHMMINGTN-INIZCTEOSA-N 428.541 1.429 30 10 IDEE Cn1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(I)n1 1540371046 PNBSUENGNACNPX-UHFFFAOYSA-N 435.269 1.854 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540872119 DEHULWJBIKWFMX-KRWDZBQOSA-N 449.552 1.714 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1540880243 BAJACQZZTUYJLN-ZWKOTPCHSA-N 443.529 1.522 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1nncn1C 1540903017 WKDRKVPGZZUTGF-JKSUJKDBSA-N 435.554 1.591 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540903690 FJIGCSDFIIDUKP-IBGZPJMESA-N 446.577 1.217 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1)S(C)(=O)=O 1541123018 JNEAFZXZKWUCPT-GJYPPUQNSA-N 447.561 1.880 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1541678608 FBFKRNCNFRSAKS-CABCVRRESA-N 435.529 1.400 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1541678611 FBFKRNCNFRSAKS-LSDHHAIUSA-N 435.529 1.400 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1547350645 CXVAKPNNZWJZSN-QGZVFWFLSA-N 430.534 1.355 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CCC(=O)N1 1548172523 YAESUZANSYSHNX-MRXNPFEDSA-N 443.939 1.945 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1552661968 FKUYPNINDKWSOC-UXHICEINSA-N 443.596 1.855 30 10 IDEE C#C[C@@H]1COCCN1C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1563701654 DEUOEXXHUTVUJJ-LJQANCHMSA-N 431.489 1.848 30 10 IDEE Cc1ccc(C(=O)NCCS(=O)(=O)C2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1569311155 CGNACFRSOXGUPR-UHFFFAOYSA-N 437.367 1.618 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1ccccc1 1585917979 AAJDVZJGMQTBRD-OAQYLSRUSA-N 425.510 1.644 30 10 IDEE N#Cc1ncn(CCNC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)n1 1586934877 CREZFGLXZZRWEN-NTEUORMPSA-N 430.490 1.697 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@]34COCCN3C(=O)OC4)C2)C1 1587636212 KDGLHGFZUJWJPM-SAYDWMHPSA-N 434.493 1.111 30 10 IDEE C#CCCCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1587894149 OHAXGDPILVJWRM-QFIPXVFZSA-N 425.537 1.769 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588049866 MKSWZGQXNCXZCK-HHXXYDBFSA-N 429.546 1.700 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1588059460 OOMSKNARBHNDQL-MJGOQNOKSA-N 433.622 1.978 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1588384823 BYGLKDLXGGAJSN-KRWDZBQOSA-N 437.953 1.772 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1588400060 UYXGXGIFDDPDIC-MRXNPFEDSA-N 430.513 1.223 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H]1C 1588550593 VKOROYYIKMXVRS-MNEFBYGVSA-N 447.536 1.971 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1CCCO 1589164124 QNANTXHFSVAQTC-UEVCKROQSA-N 431.581 1.769 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H](C)C(=O)NC 1589569885 RQXPBMXEYWXCNV-QSFXBCCZSA-N 429.569 1.939 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1594962376 KJPAGFPYQIKVOC-LBPRGKRZSA-N 425.477 1.822 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1595543948 CIKWIQLMUZSHRX-GOSISDBHSA-N 444.580 1.750 30 10 IDEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1596321701 IFVTUSOVKWNGCP-IBGZPJMESA-N 428.456 1.947 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1597693484 COQLFFZLJCCWNZ-UHFFFAOYSA-N 436.582 1.857 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)C2 1603038720 CJMADERQKPLPJX-UHFFFAOYSA-N 441.332 1.810 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@H]1CCOC1 1616923049 VSWUSKMPNJDSRS-IAGOWNOFSA-N 426.525 1.618 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@H]1C 1620018249 BTVFIMRQYWDJNU-KYHPRHEASA-N 426.525 1.960 30 10 IDEE C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)C[C@@H]1O 1620301783 BUKQWRRALMZNLS-CJNGLKHVSA-N 426.502 1.990 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)C(=O)OCC 1624303822 NLZZEISXQSCGHH-FQKPHLNHSA-N 430.423 1.986 30 10 IDEE COC(=O)[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1C(=O)OC 1627731056 HYYJQABXRVHFHQ-RYUDHWBXSA-N 425.235 1.120 30 10 IDEE CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1629159027 NKDCAJDSZZROFF-SBHAEUEKSA-N 449.573 1.641 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1629268857 YUQWAKDZSBJMTB-QFIPXVFZSA-N 445.495 1.577 30 10 IDEE COc1ccc(Br)c2[nH]c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc12 1636512480 IUDBTLBQGMOWPO-DYZYQPBXSA-N 438.303 1.949 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C(=O)NCCc1ccccc1 1637374510 FFYPRFYYIPYWHU-CVEARBPZSA-N 428.514 1.089 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)ccc2c1=O 1644914475 TWBOJDZGTBJXJD-LQDVMPOASA-N 433.555 1.957 30 10 IDEE C#CCN1CCC(NC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 1652173181 NLCHSIXGIPJZLZ-UHFFFAOYSA-N 443.573 1.283 30 10 IDEE CC(=O)NCCN(CC#CCN1C(=O)c2ccccc2C1=O)[C@@H](C)C(=O)OC(C)(C)C 1654109120 ARKGKZULXBSGCT-INIZCTEOSA-N 427.501 1.454 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)CC1 1655797362 XRVSWTGKIZNONX-HSALFYBXSA-N 437.548 1.272 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1689929768 DJRBUQBGRVFIJM-QGZVFWFLSA-N 447.586 1.618 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1689932294 XBQJXZFXXZMTQG-LPHOPBHVSA-N 425.555 1.030 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)OC)CC1 1690137811 JKOLVCOSJBQHBN-JOCHJYFZSA-N 433.553 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)C2CCC2)CC1 1690154022 HMUOEYZFIRQOOD-LJQANCHMSA-N 442.564 1.402 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1690420186 KBERWRZRQLENDA-GOEBONIOSA-N 426.587 1.596 30 10 IDEE C=CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690468175 UAQGUGCOYWMCIA-SFHVURJKSA-N 449.515 1.232 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1690571544 AGLPOXYKEPQURK-QGZVFWFLSA-N 449.552 1.990 30 10 IDEE C=CCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690644384 IGHSJUYBRNZGFI-OWCLPIDISA-N 439.582 1.789 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690743950 HPUCLOZBBFBHAG-SJORKVTESA-N 441.623 1.452 30 10 IDEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705528435 FWDSUMIHKJXTIP-UHFFFAOYSA-N 436.560 1.648 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705566204 MIDXMVAQZNSSPA-IAGOWNOFSA-N 432.550 1.120 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705567191 VQXAXKLIMFGWEP-KRWDZBQOSA-N 444.561 1.569 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1705570973 VYRHDQVWWYWGFH-GOSISDBHSA-N 433.578 1.164 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1705597995 XZAKKLVBTCDLKK-IBGZPJMESA-N 443.529 1.193 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1705653105 ZEMCHARWCIWWTC-GOSISDBHSA-N 432.594 1.039 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccc(C(F)F)n2)CC1 1705762893 LAJUDNKWAYLEHS-LBPRGKRZSA-N 427.481 1.821 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC)C1CC1 1705853439 ATKUTXIKBPIPKQ-APWZRJJASA-N 427.571 1.317 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1705911510 JNTVQCITDNRMSD-GOSISDBHSA-N 441.532 1.866 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cc[nH]n2)C1 1705926584 HBUMJVDUNQNTDJ-MRXNPFEDSA-N 442.549 1.568 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCOCC1 1705938318 VFMPBSQARWFKDO-UHFFFAOYSA-N 439.563 1.097 30 10 IDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)N(C)C 1710748779 COFVFXWVSIUDNM-SFHVURJKSA-N 448.549 1.156 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1710905241 DQSMHIZVDWJRAH-JGVYIQDASA-N 430.534 1.862 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1722284161 ZIFCJAGIIXIIBA-MRXNPFEDSA-N 432.546 1.738 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1722297303 YXFIPHAOPUCTFA-CPFNUKBASA-N 439.582 1.274 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1722318523 DSEUOPSILOUDMK-SFHVURJKSA-N 437.610 1.531 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722429251 OZVTVKSZAAWFDM-IPMKNSEASA-N 438.594 1.717 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncccc2N(C)C)CC1 1722430137 YHHCBTYLYKFHHH-UHFFFAOYSA-N 438.580 1.461 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)OC(C)(C)C)CC1 1722437366 RXKGFMPLMLSHNH-GOSISDBHSA-N 432.569 1.842 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722459906 UBLJSTPFTZZVJF-GOSISDBHSA-N 440.573 1.896 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCCCO)C1CC1 1722510880 XNFOFEXXZSUSKA-LMMKCTJWSA-N 438.594 1.903 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722693915 FHSPSLSUOCZBLO-KRWDZBQOSA-N 426.521 1.891 30 10 IDEE CC(C)(C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1722901850 RIPWWNWNUPAGHA-NRFANRHFSA-N 425.493 1.903 30 10 IDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1723548948 GOWASMZDJQHTBX-SFHVURJKSA-N 436.520 1.335 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1723700512 FZADEDXYYUGJEO-KRWDZBQOSA-N 448.474 1.828 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCCn1cnnn1 1740633452 ITALHPZAFYYUOP-UHFFFAOYSA-N 431.323 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740705430 HAWOCPZBMDTBMO-BOCKYXSRSA-N 429.565 1.689 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOC(C)(C)C)CC1 1740708679 YNHLCGYUSGWISQ-UHFFFAOYSA-N 441.580 1.921 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@@H](C)C(=O)NC)nnc1[C@@]1(OCC)CCOC1 1740766546 IOQOZKXXHZHWNX-QSNWEANLSA-N 435.569 1.730 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740786239 WAFGVEXGDHNISO-QFIPXVFZSA-N 434.585 1.541 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740946491 UYCFNLNSBKCOMQ-GOSISDBHSA-N 429.569 1.328 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1741006376 HHCNMVGYVAVTKL-HZPDHXFCSA-N 434.566 1.815 30 10 IDEE CC1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1741124496 FQFJRTVKAZJLKI-IKGGRYGDSA-N 425.603 1.605 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1742651349 NSDGNRQKLWPCBE-CZIZESTLSA-N 426.525 1.915 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1744770862 KKRPDWYZZIAQSA-RTBURBONSA-N 440.504 1.249 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)O1 1744988198 CQRDHLAQHMTAJO-OLMNPRSZSA-N 437.504 1.809 30 10 IDEE CCN(CC1CCC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746263378 FKCDTJIJWSWFLH-CZIZESTLSA-N 441.536 1.667 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1747385706 HEBRVFFZXACTLQ-UHFFFAOYSA-N 440.533 1.397 30 10 IDEE CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1747633601 MYRKMWYOTGVSTC-LZICOFPGSA-N 427.509 1.525 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1748824036 HQCXMCXZVIBGNK-LJQANCHMSA-N 444.557 1.815 30 10 IDEE COc1cccc(C(=O)NCCn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1748891187 DADGOWLDSYTYDA-LJQANCHMSA-N 433.472 1.507 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(CC)cc2)CC1 1748977169 DFHAXOQIQVCCSI-GOSISDBHSA-N 444.605 1.449 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCSCCCO)CC1 1748979591 GFAQAPIEUSDRBS-UHFFFAOYSA-N 430.534 1.724 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1749228885 DZGPFHBMTULKLL-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749627123 DUKMNKKMIOQBOH-GVDBMIGSSA-N 449.552 1.939 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2scnc2C)C1 1749712964 NYMFWSJXBPGOPU-HZPDHXFCSA-N 437.591 1.969 30 10 IDEE CC(C)(O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750530825 LXVLBPHRQCNNIK-GOSISDBHSA-N 425.537 1.926 30 10 IDEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1cccs1 1751246452 ADOSWFKMECJIJY-NRFANRHFSA-N 438.513 1.634 30 10 IDEE C#CCN(c1nnc(C)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760180936 NFMWXURHBAPQCH-HNNXBMFYSA-N 432.493 1.044 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1760183808 UCKZUWORBRYBFD-OAHLLOKOSA-N 449.602 1.694 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760187960 MINMIDWUQPEFCU-AABGKKOBSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760187987 MOAMKFNNUVTANK-LSDHHAIUSA-N 432.493 1.081 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760188192 NGIBLOGINGLABU-MOPGFXCFSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1760194832 RGKVNTMOXUFBPO-AWEZNQCLSA-N 435.937 1.671 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2CCOCC2)n1 1760252879 SPRYIKKSHKXFFG-IBGZPJMESA-N 428.537 1.691 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)OC(C)(C)C)CC1 1760259612 DCZYFGVOXPJVCC-UHFFFAOYSA-N 426.525 1.405 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1760278397 TWPITTUUWZLVCS-UHFFFAOYSA-N 435.575 1.402 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CCS(C)(=O)=O 1760478183 YUBGRLJZTKLTKV-UHFFFAOYSA-N 430.534 1.924 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760512027 YEMJMQXDZLXPTJ-BEFAXECRSA-N 429.594 1.809 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2CCS(=O)(=O)CC2)C1 1760546696 UIZBOLHQQBRYIZ-LJQANCHMSA-N 431.562 1.870 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1760655052 BOBHNJCNMZRTTN-CTNGQTDRSA-N 438.532 1.975 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@H]1CO 1761360116 GJSIKWJRQKVWBR-SJORKVTESA-N 443.552 1.981 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1763243970 AIJGCFQBOJBSAA-CJNGLKHVSA-N 425.518 1.747 30 10 IDEE CCCCN(C)C(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1764032912 KZAHPOHKQADULK-FMQUCBEESA-N 443.552 1.588 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1769547999 DUOKBXSUZRLFKU-XLIONFOSSA-N 433.534 1.228 30 10 IDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CCCOc3ccccc3)CC2)CC1=O 1857492663 UDUDVAXZXXKVSJ-SFHVURJKSA-N 433.530 1.786 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866627119 JRCZAZGHVIEKIV-LJQANCHMSA-N 442.497 1.218 30 10 IDEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155468 OPDDUMBQIJHUQC-UHFFFAOYSA-N 431.368 1.590 30 10 IDEE CN(C)C1CCN(c2nc(=Nc3cccc(C#N)c3)nc(N3CCC(N(C)C)CC3)[nH]2)CC1 1871730795 HINSKZJLQRCQKU-UHFFFAOYSA-N 449.607 1.970 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)CC1=O 1872917405 AFRVIYIYYGKYBW-LJQANCHMSA-N 443.544 1.636 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N(CCOC)CCOC)ncnc21 1873562889 XSVDTLGKCLRSJM-UHFFFAOYSA-N 449.552 1.452 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2073246481 TUKJGIRUFROOMB-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2081010509 WRKMFCQOLGWAEG-JONQDZQNSA-N 440.346 1.412 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124524136 OLTZXXIZSOJDHB-UHFFFAOYSA-N 447.341 1.243 30 10 IDEE C#CC(C)(C)N1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2146866939 MBEZDJZLOMWAOF-UHFFFAOYSA-N 431.558 1.812 30 10 IDEE C=CC1(Nc2cnn(CC(=O)OC)c(=O)c2Br)CN(C(=O)OC(C)(C)C)C1 2196130074 WVGMOGOJTDRHLH-UHFFFAOYSA-N 443.298 1.766 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCc2sc(C#CCCO)cc2C1 2206369302 MGOVRPRNODNYST-UHFFFAOYSA-N 444.534 1.466 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCO1 2255701833 XEBMTMMGTCFWAH-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CC1(C)OB(c2cccc(F)c2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2255790498 YUXYGSAYDGBSCM-UHFFFAOYSA-N 430.207 1.875 30 10 IDEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256613934 KSAZGMXHFAXCFN-KRWDZBQOSA-N 434.342 1.830 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256621419 UTMNAKOIOGXOST-RISCZKNCSA-N 439.293 1.733 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN2C(=O)OC(C)(C)C)C1 2267153009 UZZVCOXKYXPHSN-UHFFFAOYSA-N 446.357 1.863 30 10 IDEE CC(C)(C)OC(=O)NC1(C2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)CC1 2267172207 UUCFBTYEBIXPBQ-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2267266058 NAUJOLLYKPAVCZ-ZIAGYGMSSA-N 449.361 1.538 30 10 IDEE Cn1cc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2267495059 XIYHUUACWDDJKZ-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE Cc1c(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267530399 ZOQCUFGKEIVECA-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2267536977 NSTXUDLBTXWCKB-JLCFBVMHSA-N 444.341 1.905 30 10 IDEE CN(C[C@H]1CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267544431 UKCWQCIEWBSGOA-CQSZACIVSA-N 449.361 1.586 30 10 IDEE Cc1nc(NC(=O)CN2CC(NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268650290 OKQVSXQINZBTCW-UHFFFAOYSA-N 447.345 1.232 30 10 IDEE COC(=O)c1ccc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 2296940543 AOBPUXBBHWEYFX-KRWDZBQOSA-N 431.466 1.965 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1C 2315525742 XFLNHHFTSVOYSA-KGLIPLIRSA-N 434.346 1.813 30 10 IDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 2329013203 WOUBWWSUABUOHN-CYBMUJFWSA-N 432.506 1.176 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 2337207536 CBOUAFYNHFCKMR-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)ccc1F 110278528 KBUSJSAKCGFVMS-HNNXBMFYSA-N 437.468 1.503 30 10 IDEE N#CCC(=O)N1CCCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169843415 OHZLAOMIMBJEEN-NRFANRHFSA-N 444.491 1.868 30 10 IDEE C#CCn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2cc(S(N)(=O)=O)ccc21 254505986 DNVLYSMGVPHLMS-UHFFFAOYSA-N 429.479 1.496 30 10 IDEE Cn1c(=O)c2c(nc(NN=C/C=C(\Br)c3ccccc3)n2CCO)n(C)c1=O 254628794 IWQCAKZZIHMJDB-RVWDFUDLSA-N 447.293 1.260 30 10 IDEE COC(=O)c1ncccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 427344738 BBMARHUHMPESPX-UHFFFAOYSA-N 428.470 1.779 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 434370929 BWYMNALBJTXDDV-XBMUEBEBSA-N 447.561 1.853 30 10 IDEE CN(C)C1CCN(C(=O)Cc2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)CC1 445604350 KLNKQVKISRFROY-UHFFFAOYSA-N 446.533 1.024 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(C)c1=O 447267683 QKQYIDKVTXRPJV-UHFFFAOYSA-N 435.347 1.595 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1C[C@H]1CCCO1 461150459 JKFXNIIBJUDFFX-DLBZAZTESA-N 433.520 1.839 30 10 IDEE Cn1cc(C#N)c(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)n1 464100707 VQXMNAATXQHRJN-ZSXPZZPQSA-N 427.464 1.710 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2cn3c(n2)SCC3)CC1 467274536 YBRJAMMTANPXFP-UHFFFAOYSA-N 446.558 1.119 30 10 IDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C#N)c1CC 467750515 ZSIMBGSRTGJXCL-UHFFFAOYSA-N 430.490 1.892 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(=NC(=O)C(=O)N=c2cc([C@@H]3CCCO3)[nH][nH]2)[nH]1 472984565 GZWAMIIJSLXWFH-HNNXBMFYSA-N 425.836 1.393 30 10 IDEE N#Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)ccn1 483052120 AEIFKRQXVSVNFT-UHFFFAOYSA-N 441.513 1.827 30 10 IDEE CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491860987 ATRBQWNRUITZAY-UHFFFAOYSA-N 428.539 1.114 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)ccc1Cl 501979200 GXHURHIQTFSCRC-OAHLLOKOSA-N 433.939 1.027 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 503391701 CPNPFRJZQCSXNJ-NRFANRHFSA-N 444.492 1.900 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1 503645748 VSZIKBPPCWFIKE-UHFFFAOYSA-N 430.461 1.825 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CC(N)=O 524282975 WNLOXFAYNKENGF-UHFFFAOYSA-N 436.320 1.574 30 10 IDEE COc1ccc2c(c1)OC[C@H]2CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 536305715 WYLNKAIPBQDOQH-QGZVFWFLSA-N 441.509 1.966 30 10 IDEE CS(=O)(=O)N1CCc2c(NC(=O)N3CCN(c4ncccc4C#N)CC3)cccc21 544632603 YMGXUJUCRRMSPF-UHFFFAOYSA-N 426.502 1.629 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@@H]3[C@@H]3CCCCC3=O)C2=O)cc1 544790187 DNXDWGGQLJZBQU-IPMKNSEASA-N 438.484 1.750 30 10 IDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1 549891272 WXHLPUNGVCYWSG-MJGOQNOKSA-N 445.545 1.779 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 603798401 KXDBBLSFWJWXDO-KRWDZBQOSA-N 427.501 1.353 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 604000162 SSTDAMIWJKGYRY-UHFFFAOYSA-N 448.504 1.410 30 10 IDEE CN1CCN(c2cc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)ccn2)CC1 609029289 AVRZEQGKGPJALX-UHFFFAOYSA-N 444.543 1.836 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccnn3)CC2)cc1 726074329 QZQOTPKAFZKPNM-CLCOLTQESA-N 443.533 1.644 30 10 IDEE N#C[C@@H]1CN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCN1C1CC1 732648810 IDADVOFIUBKDBB-QGZVFWFLSA-N 427.530 1.046 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C)c(C)c3)c2=O)cn1 735068462 CCTVKAVIMYNJBW-UHFFFAOYSA-N 447.564 1.904 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)C[C@@H]3CCS(=O)(=O)C3)nc12 740867376 REVMZUWZPVRJHV-AWEZNQCLSA-N 433.559 1.690 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3scnc3C)c2=O)cn1 743728815 YJAGHGKMNLZZGY-UHFFFAOYSA-N 438.534 1.940 30 10 IDEE COc1cc(OC)c(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)cc1Br 747156152 ZEUSVDJCCOHAMY-UHFFFAOYSA-N 426.248 1.852 30 10 IDEE COc1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1Br 747266158 GYGLLIMVDWWKTC-PFONDFGASA-N 430.280 1.262 30 10 IDEE COc1ccc(S(=O)(=O)N2C/C(=C\c3cn[nH]c3)C(=O)/C(=C/c3cn[nH]c3)C2)cc1 751537003 YWDHVQCSYIEBDJ-KGMKFKQSSA-N 425.470 1.882 30 10 IDEE C#CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 765545567 KEGUTXHCFSUIAM-UHFFFAOYSA-N 441.937 1.101 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1 765892408 OQDLXIFXRYQYIU-DOTOQJQBSA-N 448.499 1.616 30 10 IDEE C#CCN(C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 774035633 IMQOYHYSPPDUBW-FQEVSTJZSA-N 444.557 1.628 30 10 IDEE C#CCN(C(=O)NCCCc1nnc(SC)n1C1CCCC1)[C@H]1CCS(=O)(=O)C1 774203005 WVLFAZKIGFOJNF-INIZCTEOSA-N 439.607 1.880 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](C(=O)O)C1 776690964 SRUPHTJBLCWEOO-AWEZNQCLSA-N 429.882 1.906 30 10 IDEE Cc1nc([C@@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)sc1C(=O)O 779442986 DSNGZJKXOAZBIL-LLVKDONJSA-N 436.515 1.846 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)n1 788939463 RNFNWVSTJOMCOG-UHFFFAOYSA-N 438.532 1.023 30 10 IDEE O=C(O)CCNS(=O)(=O)c1cccc(C(=O)/C=C\c2cnnn2Cc2ccccc2)c1 792867000 SAMGTPUJNJJUHR-KTKRTIGZSA-N 440.481 1.976 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 804451916 ACKOVUMYOGMUKW-GOSISDBHSA-N 427.526 1.535 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 807248955 HNXQKULTLWYSMR-QGZVFWFLSA-N 431.539 1.939 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)c1cccnc1 807849165 KHGDGSMPXCNFMA-AEFFLSMTSA-N 430.530 1.571 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 812180083 ZDOGGQNFAKBBIE-INIZCTEOSA-N 449.556 1.624 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C(=O)OCc3ccccc3)[C@H](C)O)CC2)o1 816747613 UGMRXHGJJCJDRW-LIRRHRJNSA-N 426.473 1.680 30 10 IDEE CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3cccc(N4CCCS4(=O)=O)c3)NC[C@H]2C1 849086034 MVUKTTHFVGIGQP-SFHVURJKSA-N 449.577 1.607 30 10 IDEE N#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 919838932 VBZOWAJJPBWSTB-UHFFFAOYSA-N 430.442 1.644 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1133189996 JIXZQNLOTKPQCR-UHFFFAOYSA-N 427.526 1.959 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)s1 1152331388 WDTXJHXZAXMSFM-KRWDZBQOSA-N 448.570 1.457 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCOc3ccccc32)cc1 1155061108 ZHKORLPWJUFBJZ-UHFFFAOYSA-N 427.482 1.919 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(N3Cc4ccc(C#N)cc4C3)c([N+](=O)[O-])c2)CC1 1163597486 PKZCTGMURCPXFL-UHFFFAOYSA-N 427.486 1.923 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)ccc2F)CC1 1171050630 GQNGGHMQQBUWQW-SJLPKXTDSA-N 436.509 1.443 30 10 IDEE Cn1nncc1C1(O)CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1175724665 SLQRVYKPYICSAO-GOSISDBHSA-N 438.488 1.251 30 10 IDEE COc1ccc([C@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OC)c1 1176422327 LRPRLJVXAHHYMC-KLHJMIIUSA-N 433.530 1.237 30 10 IDEE CC(C)NS(=O)(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 1194289923 CBSATBJGARJQKC-INIZCTEOSA-N 425.530 1.321 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 1196859620 GPRLGYVRUNHXET-UHFFFAOYSA-N 426.439 1.633 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 1229856888 RUPGYIMTVLAALB-XMTFNYHQSA-N 439.578 1.854 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1ccc(C#N)c(OC)c1)CCS2(=O)=O 1248505031 CQNAFLXVRHHGKB-NGEICVOHSA-N 435.502 1.265 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286339216 KAXJBFBGLAEQGN-SFHVURJKSA-N 445.589 1.919 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286395872 AUTFRSLNEDWPHK-MRXNPFEDSA-N 437.504 1.911 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1286416823 RQIAKIFUPQFOEE-KRWDZBQOSA-N 428.537 1.901 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCOCC1 1286432401 IPHBRVHFDJWSBY-UHFFFAOYSA-N 427.530 1.274 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286613584 BVHRZOXTGGHNMF-YADHBBJMSA-N 435.569 1.874 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286618770 HNUOAJSLQGVVTB-MRXNPFEDSA-N 431.928 1.979 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1286772862 FTAHXAUJFCBFGJ-CQSZACIVSA-N 436.563 1.577 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCOC2)cc1Br 1289606029 UMHNCMJHJGOOOA-DNVCBOLYSA-N 448.321 1.896 30 10 IDEE CCN1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296202775 ICLCTHXAHGXTEM-JOCHJYFZSA-N 446.575 1.260 30 10 IDEE CCOC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1296381647 MKTXASSRHRPVOP-UHFFFAOYSA-N 438.492 1.931 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1 1297216741 LRBRXSWSTBSQDL-UHFFFAOYSA-N 438.513 1.909 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CCO1 1299155074 MSSUYLCXSPXTBJ-LJQANCHMSA-N 438.488 1.027 30 10 IDEE CCOC(=O)Cn1cnc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1299753433 AQBURJOEIRBFEP-UHFFFAOYSA-N 433.266 1.550 30 10 IDEE C#CCCCn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300411367 HLJWKYAPKXXTOI-OAGGEKHMSA-N 437.566 1.380 30 10 IDEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300473653 HRGCFWNRBNZJSH-NRFANRHFSA-N 445.545 1.633 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2cccs2)CC1 1300682307 GGWLFINLCHMFJK-LAUBAEHRSA-N 433.578 1.727 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)CN2CCCC2)CC1 1300710960 QTRIOEWACIMQGB-ACRUOGEOSA-N 430.597 1.489 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOCC)CC1 1301492466 IVNDMXFRYOWPOO-UHFFFAOYSA-N 449.559 1.954 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1301608861 AVGSQDDLBABSRS-UHFFFAOYSA-N 425.518 1.047 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1302131885 XKECPAUTGXBDCN-AEFFLSMTSA-N 447.561 1.850 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1302480685 UHSJKWYAISMFPW-RKVPGOIHSA-N 426.518 1.038 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1303450981 NRXDECPVFGWYQQ-SFHVURJKSA-N 438.536 1.290 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1303934569 RTYLWDPZUVBATK-HTAPYJJXSA-N 432.488 1.935 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1304730818 DVLNBBXZGVNYEX-CRAIPNDOSA-N 427.557 1.320 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(c3cc(C#N)c(Br)cn3)CC2)cn1C 1306996364 ZBMBUOWUILWDAW-UHFFFAOYSA-N 425.312 1.269 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1315813519 QQNJKKFFZRVNSC-OALUTQOASA-N 442.495 1.629 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(C)COCCO1 1316099318 XGFQOFLBZSKLJS-NRFANRHFSA-N 429.477 1.846 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1316101297 HBUQCCKXCREART-QGZVFWFLSA-N 432.550 1.455 30 10 IDEE C#CCN(C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1337180438 HSXDIFIMLLWYDG-OAHLLOKOSA-N 445.497 1.559 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 1349671213 UQNCEVBCJCEPKK-UHFFFAOYSA-N 429.424 1.630 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1358924922 NNIYKIKYUAYPAR-GOSISDBHSA-N 425.489 1.471 30 10 IDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1358926734 ZTQWQGXIIQNTSC-UHFFFAOYSA-N 446.577 1.630 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C(F)(F)F)ccn1 1358948513 DSIBYIBPOKVFBE-CYBMUJFWSA-N 427.452 1.906 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1359010168 IRRBOKBSVBAHTB-VGOFRKELSA-N 448.568 1.113 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359133820 ZTVRLCGIWFJPCM-RTBURBONSA-N 432.569 1.957 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359142138 BCSGKGATHUVGSP-UONOGXRCSA-N 426.930 1.694 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359208555 OQBWHQVXDDTWRC-UONOGXRCSA-N 438.520 1.927 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1359291105 DZLGIOGKLKRSCX-LJQANCHMSA-N 438.532 1.784 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359298318 VMHCHXDKWIORLN-UHFFFAOYSA-N 437.529 1.666 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359303536 RZRURQOLTYQUIK-UHFFFAOYSA-N 443.596 1.104 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359315274 RCQVKFCQTHDKOY-MSOLQXFVSA-N 435.488 1.586 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1359333607 DBYCGNVUXPCNRW-MRXNPFEDSA-N 436.509 1.608 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)C[C@H]3C3CCC3)ccc2c1=O 1451612030 CFPYKTITGHDCTD-KRWDZBQOSA-N 433.555 1.911 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 1453580654 IFVPUHNVVKROSU-CRAIPNDOSA-N 439.415 1.887 30 10 IDEE CSCc1n[nH]c(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1455881117 LVMBALBYQDDLDP-UHFFFAOYSA-N 436.563 1.583 30 10 IDEE N#Cc1cccc2c1CN(CC(=O)NCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1460335654 UIMQLBMOWDIVOI-UHFFFAOYSA-N 440.525 1.211 30 10 IDEE CN(C[C@H]1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1)S(C)(=O)=O 1467929274 SUFFJXSFRHTYMT-CVEARBPZSA-N 430.571 1.704 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1471306500 XVDSZXUYXSIDEM-OAQYLSRUSA-N 449.511 1.416 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C(F)(F)c1ccccc1C#N)CCS2(=O)=O 1472275301 JYBWKRQEXRIRQJ-TXKKKEFDSA-N 426.441 1.665 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC(F)(C(F)(F)F)C(F)(F)F 1472602972 NHXOAVMAYJWWGG-SSDOTTSWSA-N 442.357 1.653 30 10 IDEE N#Cc1cccc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1472651334 ZSRGXKFLYLQOSN-UHFFFAOYSA-N 430.442 1.749 30 10 IDEE Cn1c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nc2cc(S(N)(=O)=O)ccc21 1472930173 NZXSOMICNLUMHE-QGZVFWFLSA-N 427.511 1.990 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2CC(O)(CC#N)C2)sc2c1CC(C)(C)NC2(C)C 1473413430 DFTVALWAZGUWCN-UHFFFAOYSA-N 434.562 1.983 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 1473780059 UPRZHIGOGQLBRB-CVEARBPZSA-N 432.487 1.399 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1503218520 MMNNBWZFLYZRKL-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1503218737 QNQVVTSNIQSHOD-WJOKGBTCSA-N 442.589 1.886 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1503412377 JZJCHIRYULYRTR-ZWKOTPCHSA-N 431.518 1.246 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C1CC1 1504434924 GVWICBLDEHDGIH-NRFANRHFSA-N 428.468 1.834 30 10 IDEE C#CCCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1507599440 PPJWUDRQDJDVLS-JTAQYXEDSA-N 431.581 1.891 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507632705 PFNKVDFQYSUUNN-RBUKOAKNSA-N 444.557 1.856 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507726100 DUMJEIRMBNASMI-FQEVSTJZSA-N 447.543 1.399 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507847188 HTSXNPJOGWNCEO-MRXNPFEDSA-N 431.497 1.263 30 10 IDEE COCCOc1ncccc1Cn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519355585 VESGBQOCOLAIGP-UHFFFAOYSA-N 434.504 1.648 30 10 IDEE CSCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1520394355 BPBDSNUBXKWKPJ-GOEBONIOSA-N 441.627 1.208 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCOCCCO)cc1 1521089916 MMYCNBXPHPJISI-NRFANRHFSA-N 445.545 1.231 30 10 IDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCOCC1 1531110467 RWYYZTDCBUOWPB-UHFFFAOYSA-N 449.529 1.223 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CC)CNS(C)(=O)=O 1533442024 HESMPRWJXVWVEP-GFCCVEGCSA-N 448.339 1.542 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)c3cc(C#N)ccn3)cc2)CC1 1537536888 VCWWBLOXCVVZOK-UHFFFAOYSA-N 427.486 1.083 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1539179064 NATDWESZAMVCOO-IRXDYDNUSA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(N)=O)cc2)CC1 1539460179 ZKHZLNQXYGRUTC-UHFFFAOYSA-N 432.532 1.042 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)OC)CC1 1539510507 JUXPVIWAPVBZIG-UHFFFAOYSA-N 431.518 1.762 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1539828110 FGXWQILHPBQWKR-HNNXBMFYSA-N 442.549 1.878 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1539968144 WZEVILJKPGHLKS-ROUUACIJSA-N 440.614 1.498 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1540063811 DEUBLPXZKCDUJE-UHFFFAOYSA-N 431.500 1.870 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1540134359 VYDXYPTUBGDTBF-HSALFYBXSA-N 446.573 1.913 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1540857439 XNCROOOHRVEPIU-DAWZGUTISA-N 429.569 1.232 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540863131 PWZJZVLVOXCEGY-JCGIZDLHSA-N 433.484 1.709 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1540901842 QXCJZZSTAHWITI-SFHVURJKSA-N 447.609 1.592 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CCc1nccs1 1540902341 HMGKRRYVAILBST-OAHLLOKOSA-N 425.580 1.908 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1542971909 QAGFDIACTACMPI-KRWDZBQOSA-N 431.599 1.861 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555802609 MLTSCXBCKVNRDY-IBGZPJMESA-N 443.577 1.732 30 10 IDEE C#CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1558369938 HFZZKGWHPPFCQT-KRWDZBQOSA-N 436.553 1.254 30 10 IDEE N#C[C@@]12CN(C(=O)NCc3cccc(COC[C@H]4CCCO4)c3)C[C@H]1CS(=O)(=O)C2 1565107387 BZIBHZXKSWCGOH-ZVDOUQERSA-N 433.530 1.462 30 10 IDEE N#Cc1ccc2c(c1)CCN2C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1570257583 CLBCNKUYVVURRM-UHFFFAOYSA-N 427.482 1.977 30 10 IDEE O=C(NCC(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)OCC(F)(F)F 1570739124 AMNDPWVBDWFKTO-RQJHMYQMSA-N 447.254 1.875 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2cnn(CCC#N)c2C)cc1 1587052262 MMGFKEXOUWLJBH-HNNXBMFYSA-N 427.461 1.665 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1587627699 WHLJJUMTTDZHBO-YJBOKZPZSA-N 426.496 1.711 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(=O)COC)CC1 1587842993 YMEBGPFPLBVDTM-UHFFFAOYSA-N 433.516 1.839 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588044743 BSNWZYAUPCTBOM-AWEZNQCLSA-N 429.531 1.175 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1588085111 ZMNMIUFLBFVZLC-FHWLQOOXSA-N 448.637 1.718 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCCN2CC)CC1 1588733041 LCLLEPCHGYWTIK-FQEVSTJZSA-N 429.613 1.826 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCCN2CCC[C@@H]2CO)CC1 1588800695 MVOLGFBTPRSPJF-HXUWFJFHSA-N 425.581 1.276 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2cccs2)CC1 1588813220 WGEISWTWSLWMTL-ZWKOTPCHSA-N 447.630 1.876 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOCC)CC1 1589481625 BEFFLTMQOYACDZ-RBUKOAKNSA-N 434.585 1.556 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1593735718 QFBFSOPUBNVGJF-LJQANCHMSA-N 426.569 1.544 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC(=C)C)CC1 1594241538 UEAVEFJARLMDME-SFHVURJKSA-N 439.582 1.606 30 10 IDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594662033 ZSURODFQENVUBR-BZSNNMDCSA-N 446.552 1.831 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595577361 QHLCWIAGWQZQSS-ZWKOTPCHSA-N 441.488 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595797811 IREQXTQZTCCKDJ-SJORKVTESA-N 425.555 1.225 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1596453329 CKTLBGOIVIBJPW-MRXNPFEDSA-N 429.454 1.548 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1596782852 LUBQETFXPXZDEL-HOCLYGCPSA-N 429.500 1.495 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC#C[C@@H]1CCCCO1 1606802484 RFEJSHPNBWPUPU-YJBOKZPZSA-N 440.949 1.562 30 10 IDEE N#CC1(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 1617743621 JEHLXKJYWFAPLN-UHFFFAOYSA-N 425.816 1.826 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1=O 1619937168 BPGALCVPHVJRIX-HXUWFJFHSA-N 437.548 1.452 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC[C@H]2CCCO2)c1 1620349071 FHKXPPDWDNNHGV-LJQANCHMSA-N 445.545 1.637 30 10 IDEE CN1CCN(C(=O)C2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1625599454 RDWFWLHOZUEXPD-LJQANCHMSA-N 449.596 1.976 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 1626598516 SMHZUIAKGMUJBD-OPAMFIHVSA-N 444.488 1.800 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cc(OC)ccn3)CC2)s1 1627400837 PJNSMNVGMKCVSB-UHFFFAOYSA-N 436.559 1.507 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(NC(=O)OCC)ccc2Cl)CC1 1636480709 VVQQNJALIDMARA-UHFFFAOYSA-N 428.898 1.134 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)c1 1640034637 VJDMFMKTYRUINY-LJQANCHMSA-N 426.502 1.395 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1=O 1641282788 UXJPSOAUXDDVKN-HXUWFJFHSA-N 438.871 1.433 30 10 IDEE C[C@H](C(=O)N1CCc2nc[nH]c2[C@]12CCN(C(=O)OC(C)(C)C)C2)n1cnc(C#N)n1 1641922837 PBMMQNZVSTWKOF-ZUOKHONESA-N 426.481 1.355 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)ccc1F 1643119121 XRUJHPPNSIOFAI-MRXNPFEDSA-N 437.415 1.573 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2coc3c(Cl)c(Cl)ccc23)CC1 1643372430 KXEWNPMXKVNSIJ-UHFFFAOYSA-N 430.313 1.894 30 10 IDEE C#CCN(C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C1CCN(C)CC1 1646422439 WYYTZWLRPAYMFQ-UHFFFAOYSA-N 440.548 1.966 30 10 IDEE CN1CC[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](c2cnn(C)c2)C1 1651223774 UOELBHSRHVMEPM-RTBURBONSA-N 425.489 1.360 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3ncns3)CC2)CC1 1654490862 FQLWUXCVPJIANG-GOSISDBHSA-N 429.525 1.208 30 10 IDEE C#CCCN1CCN(S(=O)(=O)c2ccc(OCCOC)c(Br)c2)CC1 1659770522 RQOVKJYBNKTBLK-UHFFFAOYSA-N 431.352 1.804 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(CCOC(C)C)CC2)c(C#N)cn1CCOC 1676108330 AERAFNAXXRJFSR-UHFFFAOYSA-N 435.525 1.757 30 10 IDEE CC(C)(CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1COCC12OCCO2 1683072702 ADFUKVQBMIBBPQ-FQEVSTJZSA-N 428.533 1.801 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(F)c(F)c1 1684616821 GNINDJPIEZAZQM-IYJAJMOOSA-N 435.456 1.367 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1689911071 ZTPHNUORJPVLCM-UHFFFAOYSA-N 437.953 1.756 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689988552 RQOQZKOJWUJGIL-RTBURBONSA-N 445.593 1.180 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)CC1 1690124999 YKMSODSYLNYDEG-VQTJNVASSA-N 448.637 1.056 30 10 IDEE C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690277410 UHDYEBGIGOAMOI-HZPDHXFCSA-N 446.504 1.907 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1690319620 SRBKVCXPYWQXTR-QGZVFWFLSA-N 446.577 1.383 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690433507 XHWDIHUAGRLVSE-XHSDSOJGSA-N 437.566 1.717 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)no1 1694583310 FDPLDEFPLRNBDC-QFIPXVFZSA-N 434.504 1.967 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1697074547 CWNZEHXWAWVITN-UHFFFAOYSA-N 433.419 1.086 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1697929141 HUZLPXKQHNJMLS-REWPJTCUSA-N 449.515 1.972 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1698317223 DPORQQSBJZNDOA-AEFFLSMTSA-N 430.534 1.657 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOCCS(C)(=O)=O 1705474126 CSSWYXUSYFFFIZ-KRWDZBQOSA-N 447.561 1.666 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1705518418 LFEAPAZEQXLLJN-UHFFFAOYSA-N 441.561 1.402 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705562062 XLWNDMPRVYNVSF-INIZCTEOSA-N 433.490 1.251 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1705581167 UCYIQJNGTXCLMZ-KRWDZBQOSA-N 436.482 1.966 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1(S(C)(=O)=O)CC1 1705629836 XGUGLGZZZLTXIU-UHFFFAOYSA-N 438.500 1.810 30 10 IDEE C#CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1705665165 LTCDMKNLMJBJNL-LLGFUMIMSA-N 433.578 1.544 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1705700675 XFBYOYFJXJOWMJ-IEBWSBKVSA-N 446.577 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cnccn1 1705895658 OENSPJNMLGJUSD-UHFFFAOYSA-N 445.325 1.807 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705906535 IKODKNGPMZTLOC-KRWDZBQOSA-N 426.521 1.443 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705909008 ZXTNDEGXDRPLID-DLBZAZTESA-N 442.495 1.546 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705964548 LOSGGXYDQOPATG-UNEBPCJRSA-N 441.536 1.062 30 10 IDEE CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1709619844 GHEPMMVHUHPUQA-KRWDZBQOSA-N 445.593 1.882 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1710898543 FQEXAVFHPUBABB-LPHOPBHVSA-N 443.577 1.429 30 10 IDEE CS(=O)(=O)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1712703865 MXBGJUIDYQIODR-PKOBYXMFSA-N 445.545 1.779 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)C2CCC2)CCO1 1712883045 KESZMDOJQSWRBB-SFHVURJKSA-N 439.476 1.888 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CCO1 1712884447 MFWQNPQTUXXNJD-HZPDHXFCSA-N 428.468 1.470 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1722294346 GVQYFQPTCFWWBC-MJGOQNOKSA-N 425.537 1.716 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722337229 WQORMSQRXMKLGH-HXUWFJFHSA-N 427.597 1.637 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1N1CCOCC1 1722417912 YAZRGLSCHBUGHS-PMACEKPBSA-N 440.548 1.742 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCn2nc(C)cc2C)CC1 1722447957 RMEVNEMONKJIDD-FQEVSTJZSA-N 439.564 1.651 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnn(C)n1 1722659502 WEKAKYMVEMRAHK-OAQYLSRUSA-N 442.499 1.834 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722696771 AYKHDYZMRJBTIH-OAHLLOKOSA-N 426.525 1.168 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)C1 1722710522 KJFVYXNQFNKUQH-JSGCOSHPSA-N 441.583 1.072 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1nccn1C(F)F 1727606980 GYHBNYUXUYOAMU-CYBMUJFWSA-N 428.451 1.857 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 1740625598 OOVJBVNUWYTOEO-QAPCUYQASA-N 444.557 1.848 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CSC)cc1 1740631093 PCRAWBBTAQFKIR-MRXNPFEDSA-N 431.587 1.872 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1740656605 LUYYOVYRWBEILW-SFHVURJKSA-N 436.541 1.693 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1740685228 CMXXWKGICGIOMI-MRXNPFEDSA-N 432.502 1.043 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740757668 QTDASXZATFGICP-LZLYRXPVSA-N 427.509 1.993 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCC)CC1 1740757829 RTIYVJOUVLBUFS-WIYYLYMNSA-N 441.580 1.523 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740865414 UCXPCVDOWBBFPV-WIYYLYMNSA-N 437.610 1.838 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740887698 LLJIOJOBSDHXKT-ZWKOTPCHSA-N 439.582 1.078 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2CCOC[C@@H]2C1 1740963751 WGTYWTSOBJEKPF-IBGZPJMESA-N 440.548 1.297 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1740970529 NIUTUWQFFVPXBZ-UXHICEINSA-N 446.596 1.652 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCCS2(=O)=O)C1 1740974805 PQMMOAVFCQVYPT-IBGZPJMESA-N 447.561 1.771 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1741001677 AWOHZKGQCIMJPN-MGPQQGTHSA-N 428.536 1.214 30 10 IDEE Cc1ccccc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1742438164 OJIAXRJBKLDSLW-WXVFVKJXSA-N 449.515 1.700 30 10 IDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CCC1 1746492163 CYHGVFOKPPYUTA-UHFFFAOYSA-N 435.532 1.792 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(CCN(C)C)CC1 1748771413 LHQXTXQZAQUQAQ-HSZRJFAPSA-N 432.613 1.662 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1749649829 CDPCYQJNFVOVFV-UHFFFAOYSA-N 439.520 1.200 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1F 1749669564 LUXUQGFETYIYPZ-LSDHHAIUSA-N 435.525 1.819 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)C1 1749694677 UQUZKCFVMMNOHE-DLBZAZTESA-N 437.566 1.263 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749822008 MRPSCWNETYKIRQ-ROUUACIJSA-N 438.598 1.972 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1CC1CC2(CCOCC2)C1 1749832698 RSRWNRTVPWOTBY-UHFFFAOYSA-N 430.553 1.974 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCOCC1 1750141182 KQXUCXQUCCEHJI-PMACEKPBSA-N 432.569 1.854 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1760183690 QODDZLCAICOSAC-SJORKVTESA-N 434.518 1.279 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760191687 LRJKLLCCOSYQOL-XMSQKQJNSA-N 446.573 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1760219770 NBJFGVWDOQELRZ-HXUWFJFHSA-N 449.511 1.536 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760272574 OVVVWOBCRLYQOU-IAGOWNOFSA-N 432.594 1.810 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760444884 UDSVCDKEXKUCAD-QHCPKHFHSA-N 446.596 1.641 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1760521530 WHVKQLFQXRVTLG-KRWDZBQOSA-N 428.493 1.185 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2CCOCC2)C1 1760535536 SLYKDUUTMKRJBC-NVXWUHKLSA-N 427.571 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1760555984 RUBVJADQDWSJRB-OKZBNKHCSA-N 440.566 1.505 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760772197 NTWFSBXLTSURIC-QHCPKHFHSA-N 435.532 1.838 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1761252469 QCEHKUXJMQZUMC-QHCPKHFHSA-N 435.532 1.788 30 10 IDEE C[C@@H]1OCC[C@]12CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)CCO2 1763274487 LVGKVRAMERWVTO-WBJUNBKOSA-N 444.536 1.486 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1Cc1ccc(C#N)o1 1764094609 PEGZVFKXRBEENJ-MSOLQXFVSA-N 439.520 1.957 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1766693525 BIGFNDYWOGJLGP-HNNXBMFYSA-N 435.506 1.029 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1conc1COC 1766919951 QGOGSMXQPLKFLS-UHFFFAOYSA-N 444.517 1.870 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)CCOC1 1767481900 FBWMJFBWCULZRO-WOIUINJBSA-N 448.568 1.016 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)C[C@H]1O 1769449785 UALCVZJSJLMRNM-RTBURBONSA-N 427.505 1.992 30 10 IDEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1770607977 GTKKHEQFHRTECL-MRXNPFEDSA-N 442.611 1.494 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC2(O)CCOCC2)CCO1 1770747834 KLDCTBLJXIDLEQ-AWEZNQCLSA-N 448.321 1.978 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)C1 1772660318 XKKWDXQNCXDJPP-HNNXBMFYSA-N 428.522 1.368 30 10 IDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 1850793566 APOIGAYQCKRSBB-CQSZACIVSA-N 431.901 1.996 30 10 IDEE Cc1ccc(C(=O)O[C@@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)cc1C#N 1851116666 HSNBOSXHUJZFIF-JOCHJYFZSA-N 437.496 1.831 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCCN2C(=O)c3ccccc3C2=O)cc1 1852102871 OMRYZYCPDVMWSA-HXUWFJFHSA-N 435.480 1.951 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CC[C@@H](N2CCCN(C3CCS(=O)(=O)CC3)CC2)C1=O 1854208110 AHWLTDBIYJPBNW-IEBWSBKVSA-N 425.595 1.301 30 10 IDEE Cc1nn(C)c(C)c1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856347844 UBCWSOOIJPESIJ-MRXNPFEDSA-N 426.546 1.529 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862558416 TVQXVPLUUBQBFD-IBGZPJMESA-N 425.441 1.697 30 10 IDEE C#CCn1ncc(NC[C@H]2COCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162288231 PAWZTUCRFNNWQY-CYBMUJFWSA-N 441.326 1.934 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2184059554 NFRRMTNIUNIEQZ-SOUVJXGZSA-N 440.294 1.990 30 10 IDEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248485328 FHUOTBJNCQCPFS-UHFFFAOYSA-N 448.301 1.748 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255528210 YJLLLZFRKZLBMC-CQSZACIVSA-N 438.305 1.740 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626540 HGHKQSWFXHVNCZ-WDEREUQCSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255649294 IZVOZIFMGWHIBZ-OAQYLSRUSA-N 436.314 1.992 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255700489 DGQASVSQTVJPKL-HUUCEWRRSA-N 435.330 1.414 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255875853 FTCYUXOZGDELAQ-QWHCGFSZSA-N 435.334 1.100 30 10 IDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2256062932 MZQFECZXHVIZCU-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE Cn1nc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267133072 XYNIJVJUVVFEBY-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)n1 2267177861 URJYPGNKJDGZEJ-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267276996 JYTSIMBYODDEBO-DXEWXGHRSA-N 448.325 1.989 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267280477 PFFCOASDNOSAFT-WBVHZDCISA-N 447.341 1.793 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC[C@H]1CO 2267281736 XKVMMDSSJNANBG-WMLDXEAASA-N 449.357 1.662 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2267598306 YFZIZYBLDZKNOI-MSOLQXFVSA-N 437.353 1.461 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2267600560 IIBUZROFWPGALS-UHFFFAOYSA-N 439.365 1.784 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269031418 OBIDOQHMOPPZMD-LJQANCHMSA-N 439.321 1.696 30 10 IDEE COc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 11163406 MXSUFWRDVSOYCK-INIZCTEOSA-N 429.498 1.867 30 10 IDEE CCOc1ccc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(CO)c2)cc1 22694656 VZZMTCPVWMAUHP-UHFFFAOYSA-O 444.577 1.726 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@H]1CCCO1 461373801 KKFLGDIFWKSZRU-GOSISDBHSA-N 441.553 1.264 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 465118224 DKELBVFGACVONC-UONOGXRCSA-N 426.427 1.717 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)CC1 474867459 HDQPYOFJVWELSZ-UHFFFAOYSA-N 426.525 1.412 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C 477026766 SBZGNTHBZPUCKT-UHFFFAOYSA-N 438.322 1.768 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 483100340 NNCAEDIELZETRA-CRAIPNDOSA-N 432.546 1.522 30 10 IDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)C1 503624236 BDRFJGRCVUUBDN-CALCHBBNSA-N 432.546 1.551 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 511146291 PLVDPQACICNSGQ-UHFFFAOYSA-N 439.497 1.783 30 10 IDEE CCOC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 513539223 DGILQVOOOVOTMP-LJQANCHMSA-N 434.452 1.985 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]2CCCO2)c1=O 530315478 CYGWRNNALTYLCE-INIZCTEOSA-N 428.558 1.984 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 536692746 RZBJMZJQJQJNOS-OAHLLOKOSA-N 448.632 1.817 30 10 IDEE CC(C)N1C(=O)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1(C)C 539452665 IRESDHSSAADEPP-FQEVSTJZSA-N 429.540 1.866 30 10 IDEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cc2F)c1 541668452 PSCPXLQODVLJJF-IBGZPJMESA-N 438.459 1.758 30 10 IDEE COC(=O)CC1(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCCC1 548099462 OSSMTKHVROOELR-UHFFFAOYSA-N 441.488 1.920 30 10 IDEE N#Cc1cc(S(=O)(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)ccc1Cl 557033236 AKFDPOCHHAGPNJ-UHFFFAOYSA-N 433.921 1.787 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccn1 566347382 IBFGGVCHYOOWDZ-KRWDZBQOSA-N 448.548 1.202 30 10 IDEE C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1 574126772 FGOISXGOUCQDDL-DNVCBOLYSA-N 426.498 1.142 30 10 IDEE CC(C)(C(=O)N1CCN(C(=O)CC#N)CC1)S(=O)(=O)c1ccc(Br)cc1 583045347 JYTANAGRNANUFJ-UHFFFAOYSA-N 442.335 1.586 30 10 IDEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC(C)C 730139540 RERNSMHGROMLBU-GOSISDBHSA-N 447.605 1.773 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 730250859 BRHXTQBMUDGOON-AWEZNQCLSA-N 436.534 1.488 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730723603 IERHVARFJMVNLW-GOSISDBHSA-N 425.514 1.856 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 731862207 AEOHKTRWKFXDQW-HFUDNHEJSA-N 447.289 1.445 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CCN1C1CC1 732708110 MRBJIPUEIWDUBC-MRXNPFEDSA-N 440.529 1.270 30 10 IDEE Cc1ccnc(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 733865661 LWVDSGDBPDPBPD-UHFFFAOYSA-N 448.526 1.168 30 10 IDEE C#CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 734104948 VRVOSZJPXSTXPW-UHFFFAOYSA-N 428.510 1.958 30 10 IDEE N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 748577198 NLCKVJPDMMFDJN-NTEUORMPSA-N 439.493 1.860 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 751926388 UVBLGVBJKSUPCV-RDTXWAMCSA-N 445.589 1.309 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)ccc1F 752520880 XKVRLZIBVNQOKV-MRXNPFEDSA-N 448.501 1.759 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(OC)cc2)C1 760305492 XTEDVQVEVBUTTP-GDBMZVCRSA-N 433.534 1.567 30 10 IDEE C=CCN(C(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)[C@@H]1CCS(=O)(=O)C1 767869757 PAJDCYVGNNEOIV-NPYXIHBLSA-N 440.562 1.650 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@H](CNC(=O)OC(C)(C)C)C3)cc2C1=O 775426636 COOKWZLEXFSLAD-OAHLLOKOSA-N 429.473 1.834 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1cccc(C)c1 782832815 LDNIKDHPBNNEFE-DZKIICNBSA-N 448.545 1.519 30 10 IDEE CCOc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)c1 786688673 POQGGTXLKQZZRZ-INIZCTEOSA-N 439.559 1.588 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)CC1 794611589 ONGDQTTXEFVRRR-MRXNPFEDSA-N 427.526 1.268 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797427193 YPUOVZRZCLOEJH-GVDBMIGSSA-N 431.562 1.888 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 925932422 LJIYEXMPHNFHDT-RHSMWYFYSA-N 433.486 1.735 30 10 IDEE Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)c1 1134645947 ZSOXFNASOBZDHI-LQBOVUBWSA-N 429.542 1.552 30 10 IDEE CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CCN(CCC#N)CC1 1152067837 GZRRXWSFAWLCDU-IISPMBILSA-N 436.603 1.756 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCO[C@](C)(C#N)C1)C(=O)OC(C)(C)C 1157516174 RDPBEZHZABTQAK-HXUWFJFHSA-N 426.514 1.889 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2C(=O)CCC2=O)cc1 1159499800 YTEZIMMBJAHZRF-ZDUSSCGKSA-N 426.454 1.517 30 10 IDEE COC(=O)c1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 1168538798 VEUTYDDUFNUSSK-UHFFFAOYSA-N 442.497 1.457 30 10 IDEE C#CCC1(NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 1176433325 ULYNQQJOLNCWSC-UHFFFAOYSA-N 433.574 1.640 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCOC)C[C@@H](O)C(F)(F)F)cc1 1198250389 CRLSWDDRHOEPGS-OAHLLOKOSA-N 439.456 1.897 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389484 KXRFHOCLNUEXAX-MOPGFXCFSA-N 441.557 1.489 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1286398900 SRKYRAHTUVFGDI-GVDBMIGSSA-N 436.578 1.348 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1286438551 FJBNCNGEZBYUQR-QFIPXVFZSA-N 439.589 1.349 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCC)CC1 1286492153 DDDSEKWOUMVJHY-LJQANCHMSA-N 438.532 1.590 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)CC1 1286499270 JSXTYAFWGDLDQQ-UHFFFAOYSA-N 429.546 1.997 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286592203 QBHVPNHZGIUDIG-JKSUJKDBSA-N 444.536 1.949 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286611339 JPJCPRMCSSJKLO-DLBZAZTESA-N 432.525 1.585 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286782884 CCKGBPIZNPSUFY-DOTOQJQBSA-N 445.520 1.505 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286787234 DBJGYRQNBDDLOT-QZTJIDSGSA-N 446.596 1.853 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)(C#N)CC1 1286788006 OIBJPVVYOGLCGN-UHFFFAOYSA-N 449.563 1.884 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@@H](C)C2)C1 1286811038 ZBFDJXQCRHVKNK-GUDVDZBRSA-N 437.610 1.693 30 10 IDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1287423965 OUIVAVPXANFRTO-QGZVFWFLSA-N 436.530 1.403 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(C)COCCO1 1287475679 XKRPALJWFMEDHL-HTAPYJJXSA-N 440.552 1.659 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1288226565 HJZVXAYONBFYCJ-JOCHJYFZSA-N 426.521 1.851 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)CCS2(=O)=O 1289581863 JHULASQFEFSCCE-ZJPRYJDKSA-N 445.541 1.542 30 10 IDEE Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1290304134 JUECMEGETWTIGW-YOEHRIQHSA-N 447.565 1.323 30 10 IDEE C=CCn1cc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)nn1 1294795973 TWGKODPOZDQGRM-GFCCVEGCSA-N 428.230 1.238 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1300479619 QMTDNJQBQOWYPF-SFHVURJKSA-N 447.605 1.967 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1300531919 JMGPROQXBJUFDF-QZTJIDSGSA-N 438.557 1.437 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)OCCO3)CC1 1300683585 QTIPGWYLGVCIND-SFHVURJKSA-N 441.532 1.577 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CC)CCS(C)(=O)=O 1300892184 QCNBRULRCLEYLI-VQIMIIECSA-N 439.582 1.253 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1300928902 PWIFNSKKINOZNA-ZIAGYGMSSA-N 439.542 1.549 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1300937903 BNHCCTRRGCFPOY-HXUWFJFHSA-N 425.551 1.416 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301617275 AWBAKBFORCMICY-OAHLLOKOSA-N 427.596 1.333 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1303946414 CBRVRDGMHKEKLO-SFHVURJKSA-N 435.410 1.197 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1306044469 ACCHKIWIDWHCJU-LSDHHAIUSA-N 433.582 1.825 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCO[C@@H](CS(C)(=O)=O)C3)c2C#N)C1 1308116742 JLXRSHHIOHFLQM-UONOGXRCSA-N 425.576 1.819 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3CC)CC2)C1 1313280958 BXCTWXNTHNWSGB-FPOVZHCZSA-N 426.561 1.968 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)NCc3nc(C#N)cs3)C2)C(=O)C1 1313351234 RMMQOFZOHWWNJF-HNNXBMFYSA-N 448.549 1.768 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1314633206 GHVSRNJKWVLYSV-UHFFFAOYSA-N 437.548 1.990 30 10 IDEE CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1315045812 VIAUBJWUFWGILC-QRQLOZEOSA-N 426.521 1.882 30 10 IDEE COc1cccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2ccc(C#N)o2)c1 1315564943 YQZOHAVRCCLWSM-UHFFFAOYSA-N 449.515 1.677 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1315749252 WGOFRMZKCGWRLL-KRWDZBQOSA-N 446.458 1.536 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1358960591 HYSFLVVWLWFWBS-QGZVFWFLSA-N 438.513 1.419 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358962752 WBMFIGVJAKFGDN-QRVBRYPASA-N 435.594 1.487 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1359018605 WPOBWOLYBSDIAE-BGYRXZFFSA-N 430.597 1.968 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1 1359023999 CMAZVCBNRKOVTE-GOSISDBHSA-N 432.546 1.713 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1359026699 HYSXRIKCOYZLRJ-UHFFFAOYSA-N 442.612 1.252 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCO[C@@H]1CCOC1 1359063669 APEGJEITRWOTPG-FRQCXROJSA-N 425.555 1.076 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1359099459 OBCIFVKUHWSUBU-HBFSDRIKSA-N 432.569 1.021 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@H]1C 1359257841 XURLUAUKADVBFS-FIKGOQFSSA-N 449.577 1.621 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C#N)cn1CC 1436859687 HCPBKEQYCVDOAY-HSZRJFAPSA-N 449.467 1.888 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)C1=O 1439044583 LKULVLSRTCOWHI-ZDUSSCGKSA-N 427.335 1.013 30 10 IDEE CCc1cc(N2CCC[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)ncn1 1443611956 ADPUYIZYNAZALR-HNNXBMFYSA-N 431.493 1.874 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCN(CCc3cnccn3)CC2)cc1Br 1455079692 OPWCFAOBCOHSGY-UHFFFAOYSA-N 430.306 1.876 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3c(F)cccc3F)s2)CC1 1455115003 KEJLDRYXWCZBPH-UHFFFAOYSA-N 426.470 1.314 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC4(CCOCC4)CC[C@H]3CO)C2=O)cc1 1456055708 HPCIQTJFZGQTIP-OALUTQOASA-N 440.500 1.543 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1457060463 NBUQMIWMQQTWOJ-KBMXLJTQSA-N 448.545 1.772 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1472411103 JOXNIMRGHIBQDS-JKSUJKDBSA-N 425.526 1.733 30 10 IDEE COC(=O)c1cccc(CN2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1C#N 1473855064 YHKWZNIHNHJVRL-MSOLQXFVSA-N 449.529 1.563 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1494131673 ZQIQKWGAPHCFJK-GOSISDBHSA-N 435.532 1.658 30 10 IDEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@]1(O)CCN(C)C1 1503065434 GRWUCHICYDQMTC-HSZRJFAPSA-N 440.548 1.801 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503708984 OLGNJGUBQCYRMV-XAIYEJPOSA-N 437.504 1.290 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504023499 NFYCGMKFGLONDF-YJCBXQLOSA-N 425.493 1.805 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1(C)C 1504496294 CMZXWONWUWLYSH-SFHVURJKSA-N 434.504 1.831 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504585207 HLOPXRCAXPULDE-QZTJIDSGSA-N 427.509 1.037 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCn1cc([C@@H]2CCOC2)cn1 1505059761 SIRZZSKHTVVYDL-XSYGEPLQSA-N 443.552 1.999 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1507514458 CULIXYWHJHBTJK-IAGOWNOFSA-N 441.561 1.639 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1507534482 UBGIQXKEHPASBS-PBHICJAKSA-N 433.516 1.565 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1 1507606316 HTSQNEDLULZONM-HXUWFJFHSA-N 433.534 1.070 30 10 IDEE C#CCN(c1nnc(CC)n1CCCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1507633804 IEJSCFVCBRMPIV-NRFANRHFSA-N 441.601 1.916 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@](C)=O)CCC2)CC1 1507732704 JQDGHPHOBHUDLQ-KSZYLEPESA-N 435.594 1.059 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1507821195 WEKFVNFCDCSFCC-RBUKOAKNSA-N 439.626 1.939 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)COC)CC1 1507839600 FQHWIBBKTQUUEM-UHFFFAOYSA-N 443.504 1.562 30 10 IDEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCNS(C)(=O)=O)CC1 1507909486 HJVKGZKJWKIEIU-UHFFFAOYSA-N 435.550 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)C(=O)NC 1508136442 SBXJJSVZELYTNB-HNNXBMFYSA-N 430.534 1.236 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1518747755 MOGZIGVSHUYOQQ-MOPGFXCFSA-N 425.468 1.903 30 10 IDEE CN1C[C@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)N(C(=O)OC(C)(C)C)CC1=O 1522139529 QEMGVIJCTORHQL-MRXNPFEDSA-N 442.451 1.899 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 1531181958 PWYLJIOXSDFTEU-JOCHJYFZSA-N 429.473 1.266 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O 1539278851 MPLCBWWVLPJYLF-UHFFFAOYSA-N 431.493 1.105 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1539369173 HXFAMNJNVRODKU-LJQANCHMSA-N 443.573 1.525 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1539400386 DRAJTTZSLIOOTM-REWPJTCUSA-N 447.580 1.663 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 1539453453 LBYPVIMENOUWKH-UHFFFAOYSA-N 426.540 1.926 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCN(C)C2)CC1 1539462304 SDVJJZMQJBJXCG-DEOSSOPVSA-N 438.576 1.296 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1539616888 SJVWAQUZFBQDKE-AGIUHOORSA-N 425.477 1.868 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C 1540871954 YLSAEHOPTJVCNA-KRWDZBQOSA-N 442.520 1.444 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1540876602 WHLJLINFBVXXDB-XMSQKQJNSA-N 443.552 1.579 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540880755 PRJQJKGZOMSVKN-IPMKNSEASA-N 442.516 1.755 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1541699012 GDBTUZJBSNDNDT-UHFFFAOYSA-N 435.532 1.836 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1541808420 CJYKGVVDRWJQBZ-VQIMIIECSA-N 425.537 1.364 30 10 IDEE C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1541841651 HFDCEBJJRHGENH-DLBZAZTESA-N 432.536 1.667 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc(OC)c1OC 1542479501 NWGNENBMQVKQEF-CQSZACIVSA-N 435.477 1.765 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1547547927 CSKZPXIAGALFQY-RXVVDRJESA-N 445.545 1.372 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1554510811 ITALXIYLXLGUKQ-QGZVFWFLSA-N 448.549 1.139 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1555328423 OXCIMKKLRYVUJW-UHFFFAOYSA-N 444.517 1.870 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(C(N)=O)CCOCC1 1555629093 OKWIXFOVAJOYKB-INIZCTEOSA-N 434.541 1.414 30 10 IDEE C=CCc1ccc(OCC(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)OC)c(OC)c1 1556930476 QMKGVVZVWDUBSE-GOEBONIOSA-N 436.530 1.772 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1565590364 YPGCTIDJSONYBR-IBGZPJMESA-N 436.597 1.846 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568505868 YLQXJFWIMKTBGS-PMAPCBKXSA-N 442.516 1.536 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1585242674 OYJVAPXRZFUSGM-UHFFFAOYSA-N 443.529 1.012 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CCN(CC#N)CC3)c2C(F)F)C1 1586493784 GYVQCJNWGQRZRY-ZDUSSCGKSA-N 439.467 1.679 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1587549900 DWFBHCGCWMVUGS-LYGNXSNRSA-N 432.569 1.144 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1587562819 UDBSTRVZSPCGTR-UONOGXRCSA-N 428.559 1.213 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1587563174 YOKXJGPJZAPVOZ-IAGOWNOFSA-N 445.593 1.780 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1587979132 IUAJNIYJWDXFHT-AWEZNQCLSA-N 426.502 1.488 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588214217 MNAUUGKLKBXNPI-LJQANCHMSA-N 442.527 1.866 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1588385788 KGXHLIVINLQIJY-QGZVFWFLSA-N 439.582 1.420 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@@H]1C 1588459348 TTZMAMRWHXTXJO-UZUQRXQVSA-N 441.507 1.833 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1593695043 BNRUCCRDANBUQS-KRWDZBQOSA-N 449.581 1.203 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1594024390 VRVOUOYINOLMAL-JOCHJYFZSA-N 433.553 1.757 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594802526 BJNVADHRVGHFDN-QGZVFWFLSA-N 425.493 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1595773237 VIWOVHUTJFUGQU-QGZVFWFLSA-N 446.533 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1595798435 PIYUWNUFQPGIAD-XHSDSOJGSA-N 448.611 1.378 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(OC)C1 1595823868 TYUSMHZBFZVHMJ-HXUWFJFHSA-N 436.582 1.746 30 10 IDEE COc1ccc(CC(=O)N[C@H](CC#N)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 1616997477 DPDLKYMUYZACMO-OAHLLOKOSA-N 435.424 1.219 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2C(=O)NC[C@H]2C1 1621179233 GARQKZDGFCOWEG-FUHWJXTLSA-N 425.489 1.629 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2cccc(S(N)(=O)=O)c2)C1 1625443522 XAQMRMXMCOVBAI-UHFFFAOYSA-N 449.330 1.721 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(-c2ccccn2)cs1 1627801125 OHOPCELSDDCWNY-UHFFFAOYSA-N 427.511 1.950 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 1628146136 BJADCHSCTFELCW-YSIASYRMSA-N 430.346 1.619 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1628849759 NTIGDEYMSSCDGQ-NHYWBVRUSA-N 439.386 1.894 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(CC(=O)NCCO)cc2)CC1 1630434332 NHOGPPBJIYFIBF-UHFFFAOYSA-N 429.517 1.927 30 10 IDEE COC(=O)c1cnc([C@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)s1 1630442178 PDYWLNKGTAEFQJ-LBPRGKRZSA-N 448.526 1.374 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCNC2=O)cc1 1633199382 FFDIBRABSWZTHK-CQSZACIVSA-N 427.486 1.071 30 10 IDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1637076940 OYERDUSZIBNDPS-WMZOPIPTSA-N 432.326 1.473 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(N3CCOCC3)CC(OCC)C2)c1 1639863483 FPXCTSREFIUAOM-UHFFFAOYSA-N 434.558 1.483 30 10 IDEE CC(C)(C[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1)C(N)=O 1641018142 JCSOPAVGWVAOMO-WMZOPIPTSA-N 439.516 1.903 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)[C@H](C#N)C1 1671489783 BDHYEGIJZQKQOT-NVXWUHKLSA-N 443.504 1.619 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1682201003 WKKSZTKGXLLSFV-GOSISDBHSA-N 426.498 1.625 30 10 IDEE C#CCN(C(=O)NCCS(=O)(=O)N1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1685504170 KLJXJFITZPGIGH-UHFFFAOYSA-N 442.582 1.456 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C2)c(=O)nc1O 1687569468 RJNKFESZTUIGAY-AWEZNQCLSA-N 446.261 1.673 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCc1ccco1 1689959496 ASUSRCAILOJYAH-UHFFFAOYSA-N 441.517 1.217 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1690019194 CKFYRAQIMFNJRJ-MRXNPFEDSA-N 445.545 1.604 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1690033300 UUPCFMKVZXTLBN-XQBPLPMBSA-N 448.637 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690150277 BIXXJNBILZFDBK-RTBURBONSA-N 442.608 1.696 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690469639 WQNDKAWTOIGTTB-CQSZACIVSA-N 428.459 1.985 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1C(C)(C)C 1690732309 YYYOWRJKHIJJGB-UHFFFAOYSA-N 438.598 1.561 30 10 IDEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1691579277 CCFDNUYRUWGQFP-RTWAWAEBSA-N 435.532 1.902 30 10 IDEE CCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1696436111 PCBLNNXRIBKIKH-KRWDZBQOSA-N 433.520 1.677 30 10 IDEE COCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1698081071 HGDHHCQEKZOKBD-OZNQOIHVSA-N 445.568 1.259 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705531640 QTOGZUXOMBADMH-OAHLLOKOSA-N 440.529 1.229 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2CC3(CCOCC3)C2)CC1 1705635333 WFXIATHJWUSREJ-IBGZPJMESA-N 431.581 1.964 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705643523 JEROYQOROKPWEZ-MTQWCTHYSA-N 431.581 1.492 30 10 IDEE 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N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1712877506 MTBLMWVABMYPBS-MGPUTAFESA-N 445.430 1.426 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCOC2)cc1 1712880422 IXGUSFWGEUMBGX-KRWDZBQOSA-N 440.504 1.236 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722324087 KJPVMYRBKXJBLJ-LSDHHAIUSA-N 440.570 1.405 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1722352598 OWZBFWICZVDTBK-RTBURBONSA-N 444.557 1.774 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722390889 WVVCZHDGTNQTBU-GOSISDBHSA-N 441.557 1.698 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2C)CC1 1722565958 GJWJAFUUBGKZOH-GOSISDBHSA-N 432.550 1.519 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722630412 DNEQYSVFCLSPKA-GOSISDBHSA-N 441.536 1.543 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1722669339 RDIQJIORGFWRPG-UHFFFAOYSA-N 442.545 1.805 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723076926 JPBIEJQYHQAXMV-UHFFFAOYSA-N 448.531 1.981 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)CC1 1724012752 ZLPRSNNYKNARQF-UHFFFAOYSA-N 429.912 1.982 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1729543301 UHTSCBKFOAZAOY-LJQANCHMSA-N 437.548 1.500 30 10 IDEE COCCN1C[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1730778144 MOWXMDOCMIKEAL-ROUUACIJSA-N 430.553 1.797 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1740548461 IFFNKDQPEAFRII-IRXDYDNUSA-N 449.552 1.586 30 10 IDEE C=C(Br)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)C1 1740742889 FKMJNCJBKNUPQC-UHFFFAOYSA-N 430.266 1.439 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1740875585 GJRPDIFLHAQFBV-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740990276 OPSGJVYPERVWLL-MSOLQXFVSA-N 446.577 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740994583 UIBJKNRIMQKWRE-UHFFFAOYSA-N 439.582 1.254 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1742202502 TVQAAUQGQIRTFI-UFOSLELVSA-N 439.476 1.040 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1743887621 RENBHHATIYOFIS-IPELMVKDSA-N 435.532 1.836 30 10 IDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1745547259 DRKIRTHBYNRRAS-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1748671239 HWELRXCSEVONSK-MRUHUIDDSA-N 435.525 1.196 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1748735861 ULRRUBDTJDBDHY-KRWDZBQOSA-N 436.559 1.385 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1748891090 ZLMVKGSGKAFFSK-XMMPIXPASA-N 449.559 1.721 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748931085 KTUVUNDPFZXTKK-UYAOXDASSA-N 442.589 1.928 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(C(N)=O)CCOCC2)CC1 1749004861 ONWGBQTZBRZFCE-INIZCTEOSA-N 430.553 1.040 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCC(=O)NC 1749119935 YNKTXQGULZGGNJ-QFBILLFUSA-N 441.536 1.869 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749450317 BYNKAGGOARZGKX-MRXNPFEDSA-N 448.549 1.532 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1749597364 DICOPIPTKGULNP-FGTMMUONSA-N 434.585 1.756 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749670098 RCQBSDFJEXRWAY-IBGZPJMESA-N 442.539 1.936 30 10 IDEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760227285 ARSGFTMAMBNYGF-NRFANRHFSA-N 428.558 1.757 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCC(=O)N1CCOCC1 1760241001 LLPOGHPQKHXJQQ-UHFFFAOYSA-N 449.490 1.763 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1760252146 CZBOWWWTCDCZAK-SJLPKXTDSA-N 443.552 1.436 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760445903 ZASSCYFOCVKDKA-GIMINZRKSA-N 446.552 1.783 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC(CO)CC1 1760517307 JADUUYPITSWKPW-UHFFFAOYSA-N 445.520 1.482 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760528117 SLHWBAVWABDEHN-UHFFFAOYSA-N 440.548 1.317 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@@]1(OCC)CCOC1 1760528446 CMKCRKYNBZGGSD-VGOFRKELSA-N 443.552 1.350 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC)CC1 1760551863 UMXLZVRDXKQSAZ-UHFFFAOYSA-N 447.561 1.997 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760560259 ZPQWKKVGMWIFID-QGZVFWFLSA-N 431.566 1.535 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1=CCCOC1 1761235689 IBUSDIJETKKLFF-UHFFFAOYSA-N 436.520 1.356 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1767598337 GVHRAITWPMTAAA-CYBMUJFWSA-N 441.517 1.601 30 10 IDEE CO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770268916 YSTIRONZVHUIMF-QBEKEKFNSA-N 440.479 1.760 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1771564817 WHGDLFBCIWROOK-UVTIVQHFSA-N 440.426 1.525 30 10 IDEE CS(=O)(=O)N1C[C@H](C(=O)NCC#CCN2CCCCC2)Oc2ccc(Cl)cc21 1851276425 HUHMMCODVXBUPT-GOSISDBHSA-N 425.938 1.473 30 10 IDEE C=CCOCCN1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 1851388579 REIFBFKSTXMJHV-UHFFFAOYSA-N 436.315 1.800 30 10 IDEE CC(C)[C@@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)N1CCS(=O)(=O)CC1 1853265480 OMJPOGUFRCAHTI-FQEVSTJZSA-N 434.562 1.326 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCCC2)c2ccc3c(c2)OCO3)CC1 1853477206 UCJDCKVNONIOTM-UHFFFAOYSA-N 435.502 1.744 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2OC)cc1 1858643329 YGDBVAJMYZHWDN-UHFFFAOYSA-N 433.486 1.564 30 10 IDEE C#CCN1CC[C@H](NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2024555109 UXWTYPGNPVTRIY-GBXCKJPGSA-N 426.561 1.980 30 10 IDEE COC(=O)Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=Cc1ccc(OC)cc1)C2=O 2040464145 CBWYXPHIRXGCOM-UHFFFAOYSA-N 447.447 1.889 30 10 IDEE C#CCNC(=O)CCNC(=O)c1ccc(Br)cc1I 2142037997 SGVVZNZBYZBIQD-UHFFFAOYSA-N 435.059 1.923 30 10 IDEE CC(C)(C#N)N1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164487057 IZLOLRWFKTUQNK-FQEVSTJZSA-N 436.509 1.260 30 10 IDEE Cc1c(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255535411 VEAOFJLVFDYARW-UHFFFAOYSA-N 434.346 1.815 30 10 IDEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1NC(=O)OC(C)(C)C 2255627465 TXYDUMFLCLIICR-ZIAGYGMSSA-N 436.318 1.073 30 10 IDEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2255630074 FJEMJFOITRKJRZ-KBPBESRZSA-N 434.346 1.942 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2255751012 SRIZDTYDNSWAHW-QGZVFWFLSA-N 447.366 1.699 30 10 IDEE C[C@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255811207 ALQFKTIQTOGUNM-ZDUSSCGKSA-N 436.314 1.679 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2255842384 QSFHNPBOPWXDQZ-DOTOQJQBSA-N 425.342 1.507 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2257633355 KRASMWGZSANYGK-AWEZNQCLSA-N 438.330 1.927 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO[C@H]2C1 2267194316 OYKCJPQVNDBYSZ-LZWOXQAQSA-N 448.325 1.943 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267267272 VRVMCODHRMWQGT-OKILXGFUSA-N 449.361 1.584 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267875964 KLCYJBALPRWHMN-ILXRZTDVSA-N 444.341 1.904 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)NCc1cccc(C#N)c1)NC(=O)OCc1ccccc1 2286030570 BRZKZRNHYQHONS-SFHVURJKSA-N 431.470 1.446 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc([N+](=O)[O-])cc1 2330718146 NKQVNFBIAGLFHR-UHFFFAOYSA-N 433.494 1.665 30 10 IDEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1OC 21317030 CHMCQCWZKHOSQH-FSJBWODESA-N 442.505 1.971 30 10 IDEE C[C@H]1O[C@@H]([C@H]2CC=CC3=Nc4c5c(c6c(c4=C32)=CN=C6)C2=CC(=O)CCC2=N5)C[C@H](O)[C@@H]1O 31544665 UUPBSFCIYSECSA-ZWLFCNJLSA-N 441.487 1.402 30 10 IDEE in-vitro N#Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)cs2)cc1 65097548 LBPITXGLEFAZOL-UHFFFAOYSA-N 445.482 1.943 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N=C2NCN(Cc3ccc4c(c3)OCCO4)CN2)cc1 72471259 PPCMXVDEKGARTJ-UHFFFAOYSA-N 445.501 1.071 30 10 IDEE CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C#N)cc4)N[C@](CO)(C(=O)O)[C@@H]3C2=O)cc1 248378830 KSTHMIBDDPMGHE-KGYLXKDPSA-N 433.420 1.027 30 10 IDEE C=CCn1c(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)nnc1-c1ccc([N+](=O)[O-])cc1 253567204 JVVZIXIBKIXPIB-UHFFFAOYSA-N 440.445 1.464 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 475648431 UIVSLJSOJMTRJA-GOSISDBHSA-N 436.534 1.395 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1csc(N2CCCC2)n1 482194066 RNQOVEIKEOGBGQ-AWEZNQCLSA-N 433.559 1.641 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 482833782 GTGVVTGTPMLZNF-UKRRQHHQSA-N 434.468 1.898 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)cc2OC)c1=O 513734803 FPBKGEQGZLNVRI-UHFFFAOYSA-N 448.342 1.482 30 10 IDEE C=CCN(CC(F)(F)F)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 521791568 OQLOCJLPSJAVNB-UHFFFAOYSA-N 436.452 1.836 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)CCO3)CC1 522296826 PONYQRGIWUMXGP-UHFFFAOYSA-N 426.498 1.709 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)CC1 524726532 BKFKKQGAFCRRFV-UHFFFAOYSA-N 440.548 1.677 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)CC1 540706890 VNNKZMRLSVRAQQ-NZQKXSOJSA-N 440.544 1.194 30 10 IDEE CCO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@]12CCCO2 546813436 PEJRXCGSJSMBDI-SFHLNBCPSA-N 448.545 1.301 30 10 IDEE COc1ccc(CN2CCCN(C(=O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)cc1 546919274 NJPQGAVKUSXRHQ-UHFFFAOYSA-N 448.571 1.818 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 555331140 KCVVAWXWWVGYMB-YJBOKZPZSA-N 430.505 1.617 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1ccccc1 572588000 HQBPCWJHYJGQEA-UHFFFAOYSA-N 427.489 1.334 30 10 IDEE CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 577252913 FYTSMXAPHCVTLJ-UHFFFAOYSA-N 431.927 1.421 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)/C(=C/c1cccc(F)c1)n1nnnc1C 734294112 CRBUAIUKPQBBRB-MFOYZWKCSA-N 426.433 1.804 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC(=O)N2C)cc1 734966960 QRHPKSDHYXYUAF-XLIONFOSSA-N 427.482 1.900 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)s1 752191512 VJIRIYKJIIFYJJ-UHFFFAOYSA-N 449.561 1.817 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 758077261 UPKLSOZPXJTGPG-UHFFFAOYSA-N 446.507 1.772 30 10 IDEE CCc1c(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cnc2c1c(=O)n(C)c(=O)n2C 762311686 DLKFJSRDWWAZRS-GOSISDBHSA-N 433.468 1.280 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](NC(N)=O)C2)c1 762944928 CWXBAFZNUUGGQU-UBJVEFMGSA-N 436.538 1.554 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](N(CC(=O)O)S(=O)(=O)c2ccc(F)c(C#N)c2)C1 772203131 OFJADHZSCUJGBU-CYBMUJFWSA-N 427.454 1.782 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772910042 MSPHITVLRNTFEY-UHFFFAOYSA-N 448.548 1.839 30 10 IDEE C#CCN(C(=O)N[C@H](c1cc(OC)cc(OC)c1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774151775 CHGQOQPVGNVCFI-QFBILLFUSA-N 446.529 1.359 30 10 IDEE COc1cc(Br)ccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 777824219 ACTMKUMLKUFWSA-UHFFFAOYSA-N 438.303 1.813 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@@H]1CCCO1 782588141 IRNWJVURYSCGOG-AWEZNQCLSA-N 442.566 1.228 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 783538948 FVMHHONTNNUSKS-LJQANCHMSA-N 426.494 1.611 30 10 IDEE N#CC1(CS(=O)(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCC1 790042824 FUVAPUHXJWYISX-UHFFFAOYSA-N 426.438 1.972 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)n1 790103977 FLJBLSIFMNRIPA-SFHVURJKSA-N 447.561 1.485 30 10 IDEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 804674322 BBUNJVACJJUNQY-HNNXBMFYSA-N 436.534 1.585 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC2=CCCOC2)C1=O 807934790 AKKKJWCBYMCWNH-FOFUNRBPSA-N 445.589 1.339 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 914594481 BOLPUYAKJOCEIH-CRAIPNDOSA-N 434.514 1.827 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCc2nnc(C(F)(F)F)o2)n[nH]1 1084638958 KRJUUYVOBILHKV-UHFFFAOYSA-N 431.404 1.750 30 10 IDEE CS(=O)(=O)c1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1129018948 FBRVGVJPBOJNTC-MRXNPFEDSA-N 444.444 1.945 30 10 IDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)CC1 1144085548 ZTJHCKHDXFDJCE-UHFFFAOYSA-N 425.577 1.533 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 1175515265 VCNKPCHHJIUOFP-UHFFFAOYSA-N 448.545 1.163 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1213847460 WFTSMJINQNLKCB-FQEVSTJZSA-N 439.534 1.253 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 1272408135 GHSAJRZHDWWXNS-UHFFFAOYSA-N 432.502 1.153 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1286342117 MKYBRMAZSQZZPL-CVEARBPZSA-N 433.534 1.578 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1286448418 UQMFUVBFQMUNRX-CVEARBPZSA-N 443.639 1.848 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1286483999 FLWMZKMRBZMFTE-WIYYLYMNSA-N 443.523 1.803 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286484271 KXLURLFZIDFLKK-VQTJNVASSA-N 429.496 1.291 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCC)CC1 1286492152 DDDSEKWOUMVJHY-IBGZPJMESA-N 438.532 1.590 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1286497113 ZZQNYIZMWBEEBD-UHFFFAOYSA-N 449.544 1.408 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286633312 QIKSGBLZTINOIR-GOSISDBHSA-N 436.004 1.758 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NC)c2)CC1 1286651640 HUOZAJMEHSEGNY-OAHLLOKOSA-N 446.577 1.699 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1286740275 HDDOSXWVUUCIHC-HSZRJFAPSA-N 441.532 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286784334 FAQPFWTUAUCJNR-HZPDHXFCSA-N 426.521 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286788354 VFXGOQGQNKYAOL-SJORKVTESA-N 448.568 1.825 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@H](C)C1 1286813765 BHBKDLLKDPXUFD-CQSZACIVSA-N 429.612 1.739 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cn2ccsc2n1 1288804005 GDIVAHCHTCYJJL-LBPRGKRZSA-N 434.551 1.386 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1300497964 FMASCISTKUMWFR-FQEVSTJZSA-N 438.557 1.586 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300505170 YQYIIXAWRGNTJH-OALUTQOASA-N 437.610 1.562 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(CS(C)(=O)=O)CC1 1300590596 DLOZDRLHPVAXFZ-UHFFFAOYSA-N 428.562 1.427 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300665191 HNFBQTICQSJWDL-INIZCTEOSA-N 432.525 1.182 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(N(C)C)c2)CC1 1300719898 UULLOQRLZYYHKD-UHFFFAOYSA-N 444.543 1.815 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1300972739 PLRSWWKNRHTPDF-NVXWUHKLSA-N 439.538 1.652 30 10 IDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301219776 KBOUQSRTFQNHIL-CQSZACIVSA-N 444.517 1.869 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1301295887 BRKGQQYKDPMJOL-SFHVURJKSA-N 435.550 1.702 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(N2CCCCC2=O)CC1 1301491215 MTWFPHXDQDJLLI-UHFFFAOYSA-N 425.537 1.567 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(C)cccc2C1 1301568923 ZCRUQJRLEOLXPF-UHFFFAOYSA-N 431.562 1.888 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)[C@@H](C)C1 1301724871 KFSWNSFLRIGLRB-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1302030023 QPFHMHKBBXHOFS-LIRRHRJNSA-N 436.513 1.936 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)c1 1307445894 MMGDHUOGLFXBIQ-KRWDZBQOSA-N 428.489 1.050 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1314540498 UFLJMWQPWCINHV-GOSISDBHSA-N 448.549 1.893 30 10 IDEE CNC(=O)CCCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1315033313 CAUSZADCJZSVSW-UHFFFAOYSA-N 441.517 1.745 30 10 IDEE C=CCO[C@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1 1342261728 ACNIODRFJSBGJN-INIZCTEOSA-N 439.534 1.915 30 10 IDEE COc1cc([C@H](C#N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)cc(OC)c1OC 1358415264 QWAHVQJQJUJTRE-AWEZNQCLSA-N 434.493 1.203 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1358961364 XJIQIWCITDHWNI-UTKZUKDTSA-N 445.545 1.081 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1c(C)noc1C 1359024747 UYBWWIQAXYYOFN-PBHICJAKSA-N 435.550 1.675 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)NC)C1 1359091088 JBBBHSCPBNLHBQ-YRXWBPOGSA-N 435.569 1.946 30 10 IDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(N)=O)C1 1359127161 JSLXHCUWPZOREN-ZDUSSCGKSA-N 437.342 1.950 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1359240026 DHERBQQPYHTMIH-HNNXBMFYSA-N 438.554 1.567 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C)C1=O 1359257140 AGXHAYRSBJGZSE-IIBYNOLFSA-N 446.577 1.559 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1359300523 DVMAWCYQSAKFFY-BZUAXINKSA-N 441.623 1.593 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1359300526 DVMAWCYQSAKFFY-PMPSAXMXSA-N 441.623 1.593 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnnn2C)C1 1359326088 SFKPWDLXHDLVEW-KRWDZBQOSA-N 425.493 1.824 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1=O 1360017430 FMOHUIIHIZWXDA-QHCPKHFHSA-N 437.548 1.188 30 10 IDEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1360529235 DWVPIVMMHXKITO-JKSUJKDBSA-N 447.540 1.498 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)o1 1361227020 FACZKYKZCDRPFI-GOEBONIOSA-N 440.426 1.838 30 10 IDEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(I)cc1 1439793566 FIAKTBUXYFYHTE-DETPVDSQSA-N 444.294 1.791 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1454679159 MUDWLVFVQXYXOR-NRFANRHFSA-N 426.498 1.646 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC4(CCOCC4)CC[C@@H]3CO)C2=O)cc1 1456055697 HPCIQTJFZGQTIP-MOPGFXCFSA-N 440.500 1.543 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3csc(COc4ccc(F)cc4)n3)C2)c(=O)nc1O 1457197406 FRCRJZJTQUNACX-UHFFFAOYSA-N 427.417 1.692 30 10 IDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)c1ccccc1 1461151263 ZWMNKEHKJKMKAT-LJQANCHMSA-N 444.509 1.829 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C1CCOCC1 1464125597 QZXLWGZYSYSVLT-CQSZACIVSA-N 436.349 1.559 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1474863109 MRJVQSZDRMRODB-LBPRGKRZSA-N 449.352 1.164 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@H]2CCCO2)c1 1475711964 TXKHPNCLEFXLTN-YTQUADARSA-N 436.530 1.724 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1=O 1476567202 RVUQSEOJRWOJPW-QAPCUYQASA-N 446.504 1.245 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1504989815 FCWLBRNJVABFOG-MRXNPFEDSA-N 430.509 1.820 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1505003057 YAAAPLCOBVELBN-JKSUJKDBSA-N 438.529 1.598 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1505144581 RAFHRXFFRGFMSL-UHFFFAOYSA-N 427.534 1.886 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCOCC1 1507681349 WPTSFRBGQVALQO-SFHVURJKSA-N 445.589 1.776 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC(C)C)CC1 1507720536 LLSVTUBPPJMCDW-UHFFFAOYSA-N 431.562 1.529 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507962348 QZHLNQJRTULKCS-IBGZPJMESA-N 427.553 1.876 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508073133 IYDGCEMFRKFKCI-JKSUJKDBSA-N 436.557 1.824 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1508081414 YZURXQUTFUAUIE-UHFFFAOYSA-N 435.414 1.216 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1508084078 HITZFPDIHIFFDA-LJQANCHMSA-N 436.520 1.360 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(C)(=O)=O)C1 1508113019 ULDYFTQENCBQAZ-MRXNPFEDSA-N 434.518 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1508144411 PYSNRESMXYDJNN-SFHVURJKSA-N 446.577 1.169 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1517592639 COYGHRADZLNJQJ-HXUWFJFHSA-N 437.548 1.502 30 10 IDEE COc1ccccc1-c1nnc(N(C)[C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1518423066 XBRBGMVTVZVNHU-AYAKEVCGSA-N 438.488 1.705 30 10 IDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1534418450 NCHHBPRTUDEINT-GOSISDBHSA-N 436.530 1.419 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCC1 1539272877 FUNVXXRRURELAU-UHFFFAOYSA-N 432.572 1.631 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(OC)CCOC1 1539347620 WTSLXISQIXSWNP-OAQYLSRUSA-N 446.577 1.812 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1539429850 FAQOIVNOXWWGOD-UHFFFAOYSA-N 430.597 1.427 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1539697952 AKMXJUOCDLCFJQ-LJQANCHMSA-N 435.532 1.873 30 10 IDEE C=C(Cl)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539823512 DTYZJBZOEVLXQC-HXUWFJFHSA-N 438.960 1.083 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539998716 OAVZIKSUYBSCAD-HKUYNNGSSA-N 443.596 1.765 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1540073686 SIKRBCFPPRFWHD-AWEZNQCLSA-N 426.568 1.355 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN(C(=O)c4ccoc4)CC3)C2=O)cc1 1540673297 YBGVORVXVKOJDM-LJQANCHMSA-N 449.467 1.777 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540869145 CVRDKCZPIUJZBE-LSDHHAIUSA-N 447.540 1.025 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCS(=O)(=O)CC1 1540900848 KABVJOVZXSNXHH-UHFFFAOYSA-N 444.966 1.434 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1540905135 QECVVCVBTIBFIN-UHFFFAOYSA-N 437.591 1.774 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1541073415 YTTBCDFEAFCOJV-UHFFFAOYSA-N 430.486 1.059 30 10 IDEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N1CCN(C)CC1 1561260379 CDWBMIQSZKJTAO-INIZCTEOSA-N 428.352 1.700 30 10 IDEE C=CCCCS(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1561862842 VQOOBOSUXHCRDW-XHSDSOJGSA-N 429.539 1.797 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(NC(=O)CSc2nncn2C)c1 1583820821 MYOAXPKOCROCMQ-UHFFFAOYSA-N 443.529 1.963 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1587639082 KFYCZEJIAPCZSN-SJLPKXTDSA-N 432.546 1.864 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1587798338 HHDRMVVKWJHLKL-UHFFFAOYSA-N 433.578 1.865 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1588045964 UTPJFQOWVDAHHS-KRWDZBQOSA-N 440.529 1.760 30 10 IDEE C=C[C@@H](O)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 1588119582 YYXYEGWFYBRHOI-RLIURORJSA-N 428.413 1.996 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1588385260 GYDQEOOEBRQJQW-ZWKOTPCHSA-N 439.582 1.420 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)N(C)C)CC1 1588762041 DXHNEOFEOBEZKY-UHFFFAOYSA-N 445.365 1.941 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2COCCO2)CC1 1588955355 VXTHLWWLOYFBHQ-GOSISDBHSA-N 429.546 1.312 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1595517180 RJWPACJMLKELSX-UHFFFAOYSA-N 449.515 1.091 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1595536693 FOYWQPGVDVHRKF-JKSUJKDBSA-N 440.504 1.198 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595536925 JCRYCMRIPLGECY-PBHICJAKSA-N 437.504 1.757 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)C(C)(C)C)C1 1595665235 QPGABPXLBBPBKM-MRXNPFEDSA-N 439.582 1.509 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CC)C1 1595812538 XOAQAKXOHGUNES-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1606966181 FBTHEJDYUTXJRZ-DEXQXJORSA-N 441.623 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)[C@H](C#N)C1 1611243825 BVFZIIWTBAXVHN-ZWNOBZJWSA-N 428.898 1.627 30 10 IDEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC(C)CC1 1619049064 DSYBICMDPSDLPN-YJTLQXIOSA-N 440.570 1.212 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1619543874 CJEOAHRSUVKWMS-IEBWSBKVSA-N 445.545 1.349 30 10 IDEE COCCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1619871682 XGKWOSPKDPOKMF-DQRAZIAOSA-N 449.515 1.959 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCO)CC2)cc1 1620350923 OPGMXYAJRBWYFX-HXUWFJFHSA-N 437.548 1.586 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1627256438 XDGJRXGRZVOXDM-BIRHUZIMSA-N 433.461 1.460 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC(=O)NCc3ccccn3)C2)C1 1631510822 GMDSVRHWOYTWRL-WCCYLALTSA-N 441.532 1.991 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 1635668374 GAGAERGICAMBSY-HOTGVXAUSA-N 425.510 1.694 30 10 IDEE N#Cc1cn(CCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c(=O)nc1O 1637367065 HWEMOZICNIDVME-CQSZACIVSA-N 436.255 1.439 30 10 IDEE CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1=O 1637505213 FYBWILHUWXGKAD-HUUCEWRRSA-N 435.484 1.770 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1637850583 HKMJRODRVKLNRZ-UHFFFAOYSA-N 448.527 1.883 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1642035132 PVWSWPAOECSGFL-WMLDXEAASA-N 446.451 1.380 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H](O)Cn1ccnn1 1642304095 DSVGYURHKXAPAG-WMZOPIPTSA-N 426.477 1.161 30 10 IDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1642900724 XFZQCXYUGABWNO-HSZRJFAPSA-N 435.459 1.813 30 10 IDEE N#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 1643821787 CMRGVCNXFQBNSW-UHFFFAOYSA-N 432.571 1.941 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)C[C@H]1CS(=O)(=O)C2 1654975422 RLNRWRUZUGDUHJ-KSFYIVLOSA-N 438.509 1.748 30 10 IDEE C=CCC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1654999102 PLWAZHYNBVAUTQ-KRWDZBQOSA-N 436.534 1.858 30 10 IDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 1679257705 XDDASLCROZYZRY-INIZCTEOSA-N 437.319 1.796 30 10 IDEE CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2)CC1 1682021856 OGCHARZEBIYNCE-HSZRJFAPSA-N 446.555 1.910 30 10 IDEE CN(C)C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Cl)c(Cl)c1 1683255563 AGFRDBQRRJKDHE-OAHLLOKOSA-N 439.303 1.729 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OC)c(OC)c1 1689861503 WJGVRQJAQGCJDW-OAHLLOKOSA-N 427.505 1.933 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCn2cccn2)c1 1689870212 FZYGZYNSVBWKFB-LJQANCHMSA-N 446.515 1.572 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689988448 PCLRIRQELWEWSA-QGZVFWFLSA-N 430.530 1.848 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1690105066 RDPSNIAOJKXCRW-UHFFFAOYSA-N 446.573 1.203 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccccc2OC)CC1 1690113624 PDMDIWDKIPBVME-XMMPIXPASA-N 439.560 1.937 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOCC)CC1 1690138333 ZBCBHJLYTJLEPX-JOCHJYFZSA-N 433.553 1.321 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690316034 UBWJKKVUEAZTRD-HXUWFJFHSA-N 440.548 1.684 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690720510 KZSPWZULSRKZLN-QFIPXVFZSA-N 445.589 1.847 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1691476760 DCQCLOCHUWXYIL-GOSISDBHSA-N 444.561 1.602 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1694328211 YBAMPKJXXSHQIS-LEWJYISDSA-N 431.516 1.649 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1698171176 OWQRBIPMGBZMNP-YOEHRIQHSA-N 432.456 1.509 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1705564250 BJHIPYSYOWHWQV-VQTJNVASSA-N 449.621 1.409 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705570043 LXRAPLVZMDAMQV-GJZGRUSLSA-N 434.484 1.825 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705571458 ZORRCLJVSUGDHW-OXJNMPFZSA-N 447.586 1.035 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705571524 AFFFLKXBCVSEOJ-RTBURBONSA-N 435.594 1.488 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1705604507 NQDJHYTXKNSUAX-QRWLVFNGSA-N 436.509 1.566 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nc(C)cs2)CC1 1705639046 DWJPIQAZTKJYQM-DOTOQJQBSA-N 448.618 1.504 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](SC)C1 1705651654 FBFWBRAMDYVUFN-GJZGRUSLSA-N 431.653 1.977 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)nc1 1705834009 BOEWDFIICBOKFJ-GFCCVEGCSA-N 448.471 1.895 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1nnc2n1CCCCC2 1705883520 LEQFUSNRBMOKOR-UHFFFAOYSA-N 425.541 1.878 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705888678 MGEQGKAJKARTEH-SFHVURJKSA-N 440.504 1.915 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cn2cncn2)CC1 1705896382 KMMQWABMGWPAPS-UHFFFAOYSA-N 436.520 1.764 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(N)=O)C1 1705896852 ZYYRFJIDAFZRNV-SNVBAGLBSA-N 439.339 1.383 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1705898269 HATLKNHELFAEAL-KRWDZBQOSA-N 440.504 1.773 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705934127 BTDGACLHERFLQQ-UHFFFAOYSA-N 434.566 1.683 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1706171287 JLKYSJSSOXAGNA-KRWDZBQOSA-N 427.509 1.907 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1706462330 DHIOFYINTIDYKX-QFBILLFUSA-N 441.623 1.814 30 10 IDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1710198637 GCCVRLLSRJMGLI-UHFFFAOYSA-N 449.519 1.351 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1711472586 MWVJRRZMBCAEMR-UHFFFAOYSA-N 427.509 1.283 30 10 IDEE COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1711872682 BPIMAPZSBQFBRS-QRWLVFNGSA-N 449.533 1.154 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)nc1 1722341619 KGLLWBKFWQXXPU-UHFFFAOYSA-N 425.537 1.546 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1722389599 KJCCMJGEPCPATP-KRWDZBQOSA-N 429.546 1.798 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722487778 WGAVYEPEKKCVBV-HNNXBMFYSA-N 437.342 1.906 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722536978 JQRVVEVBBSXOIP-QZTJIDSGSA-N 439.582 1.125 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722695203 WUGYHVFBAGOKMA-UZUQRXQVSA-N 436.516 1.893 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1723107554 BDLUCYHTMDBEQM-VGOFRKELSA-N 440.504 1.777 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1740554217 XKOAHUXHQDHVER-XLIONFOSSA-N 438.557 1.931 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740586449 BEFOMAMBCCDENA-UHFFFAOYSA-N 447.561 1.894 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1740637659 HKLPGTAVVGEHHB-ROUUACIJSA-N 449.577 1.414 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1740642454 WTAPGDZBYCVWEW-UHFFFAOYSA-N 428.537 1.777 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCOC[C@@H]2C)CC1 1740703778 ABDWBAHTFMJTIU-SFHVURJKSA-N 437.548 1.027 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740705396 GBZCXUFTPXGUHQ-SFHVURJKSA-N 433.578 1.479 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740862563 XRQGBAUJVDUECS-SFHVURJKSA-N 430.553 1.661 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC[C@@H]1C 1740900134 MSAVXUQIQOVINN-ROUUACIJSA-N 440.614 1.498 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCN(CC)CC2)C1 1740976783 NIOLAOLAQMHKPL-HXUWFJFHSA-N 428.585 1.488 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740991756 CXMGJYPNJCLIDQ-IAGOWNOFSA-N 439.582 1.268 30 10 IDEE C[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1742012722 DARAVMSKUGYCKJ-RBUKOAKNSA-N 434.497 1.517 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CN2CCOCC2)c1 1748766004 CBSYSLBNVUCRFI-UHFFFAOYSA-N 445.527 1.875 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C(=O)OC(C)(C)C 1748779817 WPVHOEDLLOSHKY-UHFFFAOYSA-N 437.508 1.857 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccc(OC)c1 1748855441 ABMRVTNTGOOBNK-UHFFFAOYSA-N 445.527 1.651 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C 1748882265 MVGFENGKQNEPIE-UHFFFAOYSA-N 430.490 1.208 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1748892559 RCTPFKFZNPLMPR-LJQANCHMSA-N 426.542 1.891 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1748994603 KXDNQISELHYPKX-FCHUYYIVSA-N 439.560 1.367 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nncn2C)CC1 1749003173 ANUCEFVYYVOKAA-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 1749006646 WFBCILDIJWIAOY-JOCHJYFZSA-N 443.935 1.716 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2nnc(C)s2)CC1 1749014443 JXXKONUVSGSLTP-KRWDZBQOSA-N 443.577 1.541 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1749159125 PGXLLGJANHLERE-ZACQAIPSSA-N 427.571 1.438 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cnc2ccccc21 1749494965 ZLFXTPJJSORZJY-SFHVURJKSA-N 445.549 1.283 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccoc1 1749735223 PWQCQRKIQIOJIL-HNNXBMFYSA-N 428.536 1.010 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750044334 HHEFYPUGAWRPCG-RJCBAWPRSA-N 432.525 1.560 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1750085178 ZULUPVFDJZVYCP-LJQANCHMSA-N 440.504 1.901 30 10 IDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1750533666 GXQUFFHCJFNCID-GOSISDBHSA-N 444.561 1.592 30 10 IDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)COCCO1 1751304892 ZFRJYHJVYGPAJV-OAQYLSRUSA-N 445.545 1.636 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCn2cc(C)cn2)c1 1760126461 ZQHYYUTXOIECLS-UHFFFAOYSA-N 441.499 1.996 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1760138164 SMJMMOZISHYDMV-DLBZAZTESA-N 425.555 1.030 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 1760155119 QDSWSORQGCPJJQ-SJORKVTESA-N 441.623 1.746 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCCC)c1 1760163379 UJULVUITJJNXPM-OAHLLOKOSA-N 432.550 1.146 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760189428 PAHQHMCBJQIOML-GOSISDBHSA-N 440.504 1.744 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760242888 RHBAEBUOBYSQHW-ROUUACIJSA-N 437.610 1.866 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1760445532 MYTJYRBWQDGODF-UHFFFAOYSA-N 430.553 1.602 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1760523094 MCJSHDYVDNGTBM-IWAYBZMOSA-N 441.561 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760548206 APDMXOKTYBKWAZ-QGZVFWFLSA-N 443.577 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760551228 XWBMVXLROOUORI-CQSZACIVSA-N 448.505 1.121 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1760566073 KQFSFWBYZHUBLD-KRWDZBQOSA-N 441.623 1.452 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1767959303 FSLBKLIFEIVGRN-MSOLQXFVSA-N 430.509 1.518 30 10 IDEE CCSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1768411590 WIDLIRWDNYBXOH-RHSMWYFYSA-N 446.574 1.196 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCOCC2)cc1 1768744270 AHMQXWHCNUKPHQ-FXAWDEMLSA-N 442.520 1.315 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CCO1 1771537243 KLUQSJRWLUWQEE-HOTGVXAUSA-N 434.447 1.988 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1852141823 JXXDDVJMVDABBB-UHFFFAOYSA-N 433.461 1.618 30 10 IDEE O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852789474 ZGLIIIMSWALONN-UHFFFAOYSA-N 428.392 1.781 30 10 IDEE C=CCC1(S(=O)(=O)N2CCC(N[C@@H]3CCN(c4nccn5c(C)nnc45)C3)CC2)CC1 1853489685 AYANKMMNQJVPPS-GOSISDBHSA-N 445.593 1.504 30 10 IDEE Cn1cc(CCC(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)cn1 1856381282 WILZNQHCWFNDAA-QGZVFWFLSA-N 426.546 1.231 30 10 IDEE COc1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)CC#N)CC2 1857365011 ISXAQEHFDLSXNO-UHFFFAOYSA-N 425.466 1.772 30 10 IDEE C#CCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561514 QPPRCMFBZHWJJC-UHFFFAOYSA-N 425.485 1.888 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)CC2)CC1 1889325443 WDKOKLQDMBKUOP-OAQYLSRUSA-N 444.620 1.426 30 10 IDEE CC#CCN(CC(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1900626378 SAFSPMFVKHCNRU-CVEARBPZSA-N 425.526 1.733 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2022909380 CAFOVBIHNWTYMU-PMPSAXMXSA-N 443.541 1.305 30 10 IDEE C#CCn1ncc(NC[C@@H](CCOC)NC(=O)OC(C)(C)C)c(Br)c1=O 2225549134 AFGQRTTVXLDMAV-GFCCVEGCSA-N 429.315 1.981 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255594349 CBEVDZHMNMELCO-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 2255827999 AXXLPQWDKHTQKO-AWEZNQCLSA-N 438.330 1.845 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067061 KOPOVLRWAXSIOQ-CQSZACIVSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256641220 MCHUVVZEFLAIOE-HNNXBMFYSA-N 433.314 1.955 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2257591480 YDJPBLFFIQNNDP-ZDUSSCGKSA-N 438.334 1.057 30 10 IDEE CCN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267116110 RKBZZJZUYBRBTR-GOSISDBHSA-N 439.369 1.851 30 10 IDEE Cn1nc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267134434 POBFURSKCQHGSV-IAOVAPTHSA-N 446.357 1.847 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267175091 JGKSQPYQLCJGOQ-YPMHNXCESA-N 442.247 1.447 30 10 IDEE CC[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2267226903 XOBLODAJAZFFGX-SFHVURJKSA-N 439.369 1.851 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337303217 FENSALGKZMGDMS-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H](CCO)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2343460584 COQPHNBLZAICDI-SFHVURJKSA-N 443.353 1.725 30 10 IDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2367814726 BWRGNDMAEVEYGQ-UGKGYDQZSA-N 434.558 1.709 30 10 IDEE O=S(=O)(O)c1ccc(O)c(/C=N\CC/N=C\c2cc(S(=O)(=O)O)ccc2O)c1 109590516 DGXBATIUPOGBES-XFQWXJFMSA-N 428.444 1.129 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(C)=O)C[C@@H]2C12CCN(S(=O)(=O)c1ccc(C#N)cc1)CC2 247918707 GLRROYUEGWJDPX-MOPGFXCFSA-N 430.530 1.038 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCO1 409502852 PGZIVNQEZHJBSI-IRXDYDNUSA-N 444.517 1.311 30 10 IDEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 434587624 NKLKJMYLXFQUBX-UHFFFAOYSA-N 428.537 1.114 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1C#N 461378561 KKSYMBBPFSPRTE-QGZVFWFLSA-N 437.521 1.697 30 10 IDEE CC(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H](C)C1 477665019 KJCOAKZUXRLLSI-SJLPKXTDSA-N 427.549 1.909 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)o1 478749802 XBJCPHRZCXOOSI-MAUKXSAKSA-N 442.537 1.743 30 10 IDEE C=C1C(=O)[C@]23[C@@H](O)[C@@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]1(C=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O 504284187 ZJRYOJLHQNZBNA-OZNDCEAQSA-N 448.512 1.358 30 10 IDEE biogenic CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 505786650 DGVMAMNDTNCEMD-XMMPIXPASA-N 440.544 1.982 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccccc1 527277631 RNANMBNUWRQXDN-UHFFFAOYSA-N 435.553 1.765 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1C(F)(F)F 530960781 FHWAHYNQCVBCPT-UHFFFAOYSA-N 444.479 1.800 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cs1 532448945 AAISJHNOIWQLGM-UHFFFAOYSA-N 426.523 1.837 30 10 IDEE C[C@@H](C#N)CN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CC1 533600402 YOTLAZWOMWZWKM-HNNXBMFYSA-N 446.529 1.920 30 10 IDEE CC(C)N1C(=O)C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c(F)c1 541191781 LKJPLTSEMAMZFK-WBVHZDCISA-N 433.871 1.911 30 10 IDEE COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 545504200 CNXZLBVEFCHZME-SFHVURJKSA-N 426.473 1.310 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589217347 FMRXNTXILIKGOU-UHFFFAOYSA-N 434.474 1.931 30 10 IDEE Cc1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 603650649 GAFYTXKRDRAXEU-MRXNPFEDSA-N 429.506 1.172 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c(C)c1 603801174 ZFILSMOUIUDLMZ-GOSISDBHSA-N 425.554 1.733 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609001457 GLRHRBGMBYZNCI-LJQANCHMSA-N 427.553 1.164 30 10 IDEE CN(C)c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1B1OC(C)(C)C(C)(C)O1 725380995 PPVYSVLYYAUIMI-UHFFFAOYSA-N 433.362 1.899 30 10 IDEE CSC[C@H](C(=O)NS(=O)(=O)c1cc(C#N)ccc1C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 734292468 QAQJJZUSKXIILS-OWCLPIDISA-N 449.554 1.578 30 10 IDEE N#Cc1ccsc1NC(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746748357 VQQSZHHEUPVJAI-GOSISDBHSA-N 438.465 1.577 30 10 IDEE Cn1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCO3)n1 765549419 YFEUCMYJDNGZKK-QGZVFWFLSA-N 427.486 1.949 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)c1 770897996 CDYNZOSRKAGTPF-FQEVSTJZSA-N 443.569 1.853 30 10 IDEE C#CCN(C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 774164904 VYAKUSVNDOHDNV-UEXGIBASSA-N 433.574 1.628 30 10 IDEE C=CCOCCNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 780029793 OZPPWHZTBODJRJ-UHFFFAOYSA-N 433.324 1.402 30 10 IDEE CC(C)(C)Oc1c(F)cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1F 782808677 HAKSHVXLTDKJSL-ICFOKQHNSA-N 436.415 1.723 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=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)C1 787312856 AUWDNCUPMQEXRY-OBXCNMGJSA-N 428.533 1.554 30 10 IDEE C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 790714377 JHXJOWKINNNVJQ-IAGOWNOFSA-N 431.562 1.892 30 10 IDEE CCOC(=O)c1ccn(-c2cccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)n1 794264127 BGRAMZMQPXBYBE-QZQOTICOSA-N 437.456 1.582 30 10 IDEE CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 794424995 RGOFNRPTFHUNDO-MRXNPFEDSA-N 447.540 1.637 30 10 IDEE O=C(N1CC[C@H](OC(F)F)C1)C(F)(F)C(F)(F)C(=O)N1CC[C@H](OC(F)F)C1 802309465 REBSFXKFQXWQGE-YUMQZZPRSA-N 428.276 1.937 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cnc(Br)cn2)ccc1F 808021954 DWMXQQKSGQIKKX-UHFFFAOYSA-N 429.271 1.773 30 10 IDEE N#CC1(OCCOC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCOCC1 809080165 JJCIEBJVWJWKPK-IBGZPJMESA-N 427.457 1.095 30 10 IDEE CCN(CC)C(=O)CN1C(=O)C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc21 1083994697 JAIATQQJXGTHRI-UHFFFAOYSA-N 428.514 1.893 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2=O)cc1 1130215537 JWRRWDBXAZHSMN-RDJZCZTQSA-N 425.466 1.262 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1135819923 KTKBPTRKLFBKFF-IAGOWNOFSA-N 429.583 1.567 30 10 IDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 1135982315 GOLPVIBVOSQNFO-SFHVURJKSA-N 432.477 1.743 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1138972173 IYCHDYTVDXAHIC-JOCHJYFZSA-N 432.521 1.520 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)c1 1153516784 OUAOFVRTBLOVII-UHFFFAOYSA-N 429.564 1.131 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccccc2NC(=O)OC(C)(C)C)CC1 1175515026 OOSTVMYZANTSBI-UHFFFAOYSA-N 436.534 1.188 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 1254527732 MMSCPKZDNTWUHF-MSOLQXFVSA-N 440.953 1.355 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286350218 XKGHIHLOJMYVSK-JKSUJKDBSA-N 435.575 1.936 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286392953 IHRQBRLVHJMWFL-JLMWRMLUSA-N 445.589 1.688 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393546 LKWDGMGLJJHDQJ-INDMIFKZSA-N 436.578 1.471 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1286409079 MWCVXLVVMAPIDA-MRXNPFEDSA-N 447.511 1.644 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](CO)O1 1286437795 MKRRJGCGLWURCL-ZWKOTPCHSA-N 447.561 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)C2CC2)CC1 1286493136 SRGGEUNYNASCDX-HSZRJFAPSA-N 439.564 1.267 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1286497041 ZDQHEHWOWUKHOB-CQSZACIVSA-N 429.612 1.649 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286534818 DHVYJCRAVDXDNT-MELADBBJSA-N 428.331 1.626 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286703333 JYLVXLJCWZZIKQ-FQEVSTJZSA-N 440.596 1.849 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2cncn2)C1 1286790285 MKJVYPZDRXBMEM-GOSISDBHSA-N 436.520 1.635 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 1292289941 DTHQWZZYOYRBEY-UHFFFAOYSA-N 425.283 1.974 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1292351898 ACBNBQPZYNAZLM-HXUWFJFHSA-N 432.550 1.761 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1297311172 RKEVEUYETZHRAD-KRWDZBQOSA-N 430.484 1.567 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1300295254 BYRRZZLPYFGLPJ-SFHVURJKSA-N 428.493 1.463 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1300476927 XWTMNLCJEBHDJJ-CVEARBPZSA-N 437.566 1.854 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1300487667 KXYOLDWPUAHRFH-JKSUJKDBSA-N 449.627 1.815 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1300499520 TUSLGVFAXYUTDX-LLVKDONJSA-N 433.481 1.991 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C)C1=O 1300642207 OELQOVCGXXLXDJ-QFIPXVFZSA-N 426.496 1.674 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1303900159 MWUFJIDWBNODGN-ROUUACIJSA-N 428.537 1.907 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1310013160 JIOZMXCGEHJMCM-OAHLLOKOSA-N 427.523 1.555 30 10 IDEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1314054061 FFIHRRYUCNMZAE-KRWDZBQOSA-N 439.520 1.758 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1315909657 BZANROFSKDSRLS-QGZVFWFLSA-N 445.545 1.229 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1316173878 ZTIFSDHOSFQRPC-CABCVRRESA-N 433.513 1.120 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cn2)CC1 1318037406 OHBWWCKIUANUQH-HXUWFJFHSA-N 432.528 1.764 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)C 1358886031 WKHXTNAAIACXMH-OAHLLOKOSA-N 431.566 1.468 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1358957644 XVHNMSLNLXNNLT-ABSDTBQOSA-N 440.566 1.198 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358963580 KNNKSGSPLUXMOH-AABGKKOBSA-N 449.621 1.529 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358964659 DCJUIMKYGBSRHA-NQIIRXRSSA-N 431.562 1.442 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1358994920 ZEFWWJINBJPBAR-OAQYLSRUSA-N 439.585 1.775 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCS(C)(=O)=O 1359007863 ZEUXTAKRLCZPIA-UHFFFAOYSA-N 444.517 1.115 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCOC1 1359065841 FKGYMMFWTQXTMJ-NHCUHLMSSA-N 430.530 1.492 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(C)=O)CC1 1359078079 RYGUOXJKLLSNMV-CQSZACIVSA-N 430.347 1.969 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(C)=O)CC1 1359304563 BFGDLJICZGDDKE-UHFFFAOYSA-N 426.521 1.390 30 10 IDEE C=CCCC[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1444647868 XXZRVGOTVDHSQB-RTWAWAEBSA-N 447.601 1.574 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 1452094116 SSECJVCPVCFARD-MRXNPFEDSA-N 433.507 1.448 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CCOC1 1453692054 OZHSSQBOUTWNHY-QHCPKHFHSA-N 449.548 1.113 30 10 IDEE N#Cc1ccc(C2(NCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCOCC2)cc1 1460623435 XPTDTDBKAPQFCF-UHFFFAOYSA-N 442.541 1.160 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1cnc2nc(O)nc(O)c2c1)c1ccc(Br)cc1 1463777186 SBYBWZKKCXLAOF-CYBMUJFWSA-N 435.259 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4cnccc4C#N)CC3)=NO2)C1 1468539180 RISCIHPAWAKCSS-UHFFFAOYSA-N 426.477 1.368 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3c(Br)nc4n3CCOC4)CC2)c1C#N 1468578525 IASLORGWCRHKBG-UHFFFAOYSA-N 437.323 1.775 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1503871708 APHUUIWAEIPDAC-KKSFZXQISA-N 443.529 1.596 30 10 IDEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](OC)C2)cn1 1504897581 BVVRJJPGVZKNCP-HXUWFJFHSA-N 437.504 1.845 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CC1 1504989535 MCOAMBAKTIXRDK-INIZCTEOSA-N 444.511 1.864 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507635175 QCSMFAFKAWPJGA-PMACEKPBSA-N 442.589 1.375 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1C 1507687934 VCAHUQJBBPLOEN-UHFFFAOYSA-N 431.504 1.872 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCC(=O)NC2CC2)CC1 1507742518 KPSSTXAAEHVPBD-UHFFFAOYSA-N 428.581 1.891 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1507784296 HXMMKKZIGMDUNU-GFCCVEGCSA-N 434.360 1.050 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1507790610 BDCUJQUIHRJCTF-PKOBYXMFSA-N 440.552 1.514 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1508076545 UWBRASYTIHOMOX-UHFFFAOYSA-N 425.537 1.464 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1508079096 NXFPYNVVCVVWCW-UHFFFAOYSA-N 435.532 1.860 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1510199869 QOKYSARUPJXBLE-TWOQFEAHSA-N 446.581 1.477 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1512362982 RYGQCNOKXRNPIQ-ITZAQCPESA-N 427.509 1.129 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1532404528 FSUHUCGSTJLKKB-AEFFLSMTSA-N 429.473 1.667 30 10 IDEE N#C[C@]12CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)C[C@H]1CS(=O)(=O)C2 1537006520 VBVVTQBUSMZOIE-YVEFUNNKSA-N 435.303 1.645 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1538760537 BRSPNQUZFMZQSK-BLLLJJGKSA-N 431.392 1.808 30 10 IDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539097452 NHZROZVHTNLBFJ-QGZVFWFLSA-N 434.504 1.899 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1539178772 KFXUEHHARMFPDG-WNNBVUDTSA-N 425.555 1.425 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1539206756 VUTSCSDCWMYLEY-HNNXBMFYSA-N 443.451 1.598 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC(=O)NC)CC1 1539430724 MMOICHZFLDFSSA-INIZCTEOSA-N 430.940 1.963 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCNC(=O)OC(C)(C)C)CC1 1539446163 SINUFGVBKXQEOJ-UHFFFAOYSA-N 440.552 1.795 30 10 IDEE C=CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1540021782 VPSDZRJGSRXEKC-IBGZPJMESA-N 427.571 1.368 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540026580 HQNBQTUJQOVBTC-UHFFFAOYSA-N 437.570 1.132 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1540873575 COBSVVCEGHKWPI-KDURUIRLSA-N 429.613 1.528 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1545684725 CMTJDBYUGXMSJC-QMTMVMCOSA-N 439.586 1.323 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1545929268 VPGDHRUQAHWVIW-CBGDNZLLSA-N 432.525 1.263 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(C)(C)O)CCOC1 1547898316 ZLCJNTCCCMWVNE-JOCHJYFZSA-N 442.520 1.626 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1555558273 QECAMZJIHLRYAK-LJQANCHMSA-N 433.601 1.565 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1557666049 QYVIAORPQZHNCF-SPLOXXLWSA-N 449.508 1.599 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc1 1557978800 WEDBZNOQXMYMFJ-JOCHJYFZSA-N 441.553 1.799 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@@H](O)CC2(C#N)CCOCC2)C1 1559508674 PGKQKACAKMERGH-ROUUACIJSA-N 438.569 1.411 30 10 IDEE COc1cccc2c1CC[C@]2(CO)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1560104548 YAUYSWVFFPIKCH-AUSIDOKSSA-N 440.569 1.889 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1=O 1568184479 UOUHBMQUVIPMJF-YSIASYRMSA-N 449.573 1.179 30 10 IDEE Cn1c(=O)c2ccc(C(=O)N(Cc3ccccc3)c3ccc(C#N)cn3)nc2n(C)c1=O 1585320070 GHZPNKSFQYKECS-UHFFFAOYSA-N 426.436 1.746 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)OC(C)(C)C)CCOCC1 1585592796 SDOXQJDNJCVYSQ-AWEZNQCLSA-N 437.518 1.232 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588049592 IYZWREZICYDDPP-AEFFLSMTSA-N 433.582 1.036 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCCN(C)C)CC1 1588857151 JOJMFVSMEBPBQP-UHFFFAOYSA-N 435.576 1.684 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1593907840 BYKUWZQCVJKAIG-UHFFFAOYSA-N 444.923 1.821 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1595093197 CSBMJBMYYGFFKC-IBGZPJMESA-N 449.515 1.152 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2Cl)CC1 1595467122 QJFWIMFWGNFOTE-UHFFFAOYSA-N 445.955 1.699 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1595798821 UHNROZNBOCQSHX-KRWDZBQOSA-N 447.561 1.415 30 10 IDEE COc1cnc([C@H]2CCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1O 1603337354 UIPKEBXYCWMMKH-CQSZACIVSA-N 445.501 1.373 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCOC1 1606959361 YNUHHZXJECPISZ-NRFANRHFSA-N 430.509 1.923 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1610337873 UPIHJINKHSYGSF-WUKBZCGHSA-N 444.536 1.834 30 10 IDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1617910950 WXJHCGYJJIUNBE-HXUWFJFHSA-N 432.484 1.849 30 10 IDEE COC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1618862099 DEZVBHXYTVEZCS-UHFFFAOYSA-N 435.444 1.828 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)CC(F)(F)F 1620110839 CJCBMELJNHKMQH-ZNMIVQPWSA-N 432.447 1.225 30 10 IDEE CSCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1620278799 GMTKXJAVNSMYPF-INIZCTEOSA-N 442.611 1.494 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCOCC2)CCO1 1620354518 HDILZMUQBKVGMI-QGZVFWFLSA-N 428.449 1.514 30 10 IDEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(I)cc1 1626655401 FIAKTBUXYFYHTE-FFSVYQOJSA-N 444.294 1.791 30 10 IDEE C[C@@]1(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCS(=O)(=O)N1 1628706836 VPTQSCTYXGTTAH-FQEVSTJZSA-N 428.518 1.069 30 10 IDEE CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1629485669 OBZXBAHMJPSZKY-XBXARRHUSA-N 449.510 1.101 30 10 IDEE CNC(=O)N[C@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1632538793 WKNLUDFXYVUPNT-WMZOPIPTSA-N 427.505 1.922 30 10 IDEE C=C(C)COCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1633049340 FRRCNNILMYMUQU-ZACQAIPSSA-N 438.525 1.803 30 10 IDEE Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1633147157 ZZJRAJTYMJRPHT-FUHWJXTLSA-N 429.546 1.766 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1 1633731664 QQCBCCVRCNHJMI-UHFFFAOYSA-N 425.379 1.781 30 10 IDEE COC(=O)[C@H]1CN(C(=O)NCc2nc(C#N)cs2)CC12CN(C(=O)OC(C)(C)C)C2 1638702973 DZXRBRYCJKENLT-CYBMUJFWSA-N 435.506 1.566 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)n1 1639991642 AHAOGGAYVKIEHT-UHFFFAOYSA-N 434.537 1.907 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)ccc1F 1641466422 OFLVQDNBYISQAG-MRXNPFEDSA-N 432.433 1.423 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1641661819 HMCCLFULQAPRGH-UHFFFAOYSA-N 443.525 1.919 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 1641700413 OVKDQQKPGVINCA-UHFFFAOYSA-N 425.554 1.992 30 10 IDEE C#C[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 1643574974 YFYPRLNJOFQHPE-VQTJNVASSA-N 427.526 1.707 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 1645157740 FTPDBDOWNFBCFJ-HXUWFJFHSA-N 427.526 1.095 30 10 IDEE C[C@H](CC(=O)NC1CCN(C2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1645195226 FXHIDGKCDDWJQM-OAHLLOKOSA-N 434.562 1.263 30 10 IDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(NS(N)(=O)=O)CC1 1647983743 QXDGXBKVCFKKAO-LBPRGKRZSA-N 425.580 1.473 30 10 IDEE Nc1nn2c(=O)cc(CN3C[C@@H]4[C@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)nc2[nH]1 1654968841 VTHSWDDMBBGORM-KNVOCYPGSA-N 432.275 1.603 30 10 IDEE C#CCn1cc(CNS(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)cn1 1655958658 PYVOHPMEFIDOCB-HSZRJFAPSA-N 431.337 1.770 30 10 IDEE Cc1ccc([C@@H](NC(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c2cccs2)cc1 1656828058 HBACXLWZUFHGKU-HXUWFJFHSA-N 438.509 1.458 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)CC1 1662072281 YEHRWCTXUFBFGX-UHFFFAOYSA-N 434.443 1.907 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)c1 1671806982 GDUDYNVYPMUZDD-NRFANRHFSA-N 436.530 1.461 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 1680605892 VYLGKIOHJXVAJE-GOEBONIOSA-N 441.351 1.100 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(F)c(F)c2)CC1 1690119989 AMUNUSSHLPFHOR-UHFFFAOYSA-N 427.459 1.791 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)CC1 1690122308 NFGMFAWEWUNKEU-QZTJIDSGSA-N 427.578 1.349 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1690137765 IFOWEAFKOFZNKL-UHFFFAOYSA-N 429.546 1.145 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690246416 UHOMDHOVVGMTOU-JLOCXQCDSA-N 439.582 1.468 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1690497189 JSOICCSNAKCYFN-QAPCUYQASA-N 429.612 1.814 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690668812 KEQNAHCJZNIYBV-GOEBONIOSA-N 444.540 1.330 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1690669258 ZKWGJIWJIGNKGC-IAGOWNOFSA-N 444.536 1.948 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690715401 KKKAJBZUTLUATA-GBESFXJTSA-N 432.546 1.982 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1691005995 HKMVURAQAOTTRJ-MRXNPFEDSA-N 436.520 1.395 30 10 IDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)CC1 1691221952 XRHDKJWQNQSGGF-MRXNPFEDSA-N 432.525 1.646 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1692559139 IPGGRJFBGFQQMP-HSZRJFAPSA-N 437.548 1.642 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)N1CCOCC1 1694323686 FGTCNYUZLFIJQV-UHFFFAOYSA-N 431.541 1.185 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1705549980 PEVJVEGNVGKMOR-UHFFFAOYSA-N 435.532 1.907 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1705582705 HTSKPYPEHBYPBC-KRWDZBQOSA-N 449.577 1.510 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1705620114 LUNZUNZIGCXBMH-GOSISDBHSA-N 442.520 1.925 30 10 IDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)nc1 1705876820 LNJQSUMEWSKMDY-UHFFFAOYSA-N 437.548 1.859 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705881231 HFCAHHKHPXFNFS-VGSWGCGISA-N 442.520 1.902 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1706229292 DOKZEMRGCZOYSN-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC=CCC1 1706888099 XASHQLTYZCHNHB-LZLYRXPVSA-N 433.582 1.421 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1707951730 FBNLVOSYTUVCFF-OAHLLOKOSA-N 449.540 1.975 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)c1 1711703124 HUBPAYHKTPLFIV-NQIIRXRSSA-N 429.477 1.497 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722364372 GCUPRKMPUCKPMM-DLBZAZTESA-N 438.575 1.219 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1722402516 NCBNNJDFAMFJNX-UHFFFAOYSA-N 425.493 1.863 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@@H]2OC)CC1 1722432806 FOFZHGQPIIPRMH-QTEQDKRBSA-N 431.581 1.889 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722492312 AYCFTPZZYUWUHX-JQHSSLGASA-N 445.568 1.438 30 10 IDEE C=C(C)COCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722538127 LIYVQEFOARWGFZ-UGKGYDQZSA-N 435.569 1.432 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1722565986 HCEFFOOJUDUAGH-KRWDZBQOSA-N 435.594 1.985 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722692741 VBLWKLUSEUGABI-WJMWBRGCSA-N 446.596 1.567 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2F)CC1 1722727670 KEPYNDULKLJWSM-QGZVFWFLSA-N 449.552 1.849 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)CCOC1 1729946363 APRMESNJRKFDDK-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1740584647 OWMQZVSHWWENPK-UHFFFAOYSA-N 440.533 1.348 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1740628575 RPPXFPNZGCLSCL-SFHVURJKSA-N 432.546 1.888 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnnn1C 1740678384 LRNSEATYDHPYHH-PXNSSMCTSA-N 439.495 1.958 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(N(C)C)c2)CC1 1740706602 XUGWKJJDLKHUCU-FQEVSTJZSA-N 449.559 1.309 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740716665 WIZLZFXVDBQMTH-GOSISDBHSA-N 436.545 1.813 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC(=O)NC(C)(C)C 1740953485 HRNMZSUFNDKLPW-UHFFFAOYSA-N 444.536 1.615 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740955977 JYSCYDXPWZXHNY-UHFFFAOYSA-N 445.483 1.375 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1741070636 NOLBSEVEEINUQI-IOJLRTSASA-N 435.532 1.979 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1741799351 IYRWBFXSWOEWPP-CYBMUJFWSA-N 434.522 1.569 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1[C@@H]1C[C@H]1C 1741939651 AMKUKUQRQRNSGX-JTDSTZFVSA-N 443.577 1.663 30 10 IDEE Cc1ccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1742285466 CBHPEGVOGLPCEO-IEBWSBKVSA-N 445.545 1.687 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1743955007 YVZATIZLANPGSF-SQNIBIBYSA-N 437.504 1.537 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1748344170 BKJQXGFFGHBVIX-QGZVFWFLSA-N 439.520 1.426 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1748670877 DFGSIVGPCSSISO-PBHICJAKSA-N 437.591 1.741 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1nncn1-c1ccccc1 1748965483 SDGUFPKOIORLDH-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749033420 FUJNABLBGHZWBP-INIZCTEOSA-N 429.525 1.456 30 10 IDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749312695 RRNJYEOEUOICFQ-QZQOTICOSA-N 436.520 1.823 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749650965 KQFYWERQNXLZJW-KRWDZBQOSA-N 431.585 1.273 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749670370 SEJVZYUVESWXMS-MRXNPFEDSA-N 431.566 1.484 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(OC)CCOC2)C1 1749697698 MQDIZQJRIMEPNN-STZQEDGTSA-N 436.553 1.906 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)C1 1749709220 OUDCOVYOYFPQBQ-LBPRGKRZSA-N 438.435 1.168 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCCCCO)cc1 1750384907 USYQQAPDIXYPSC-FQEVSTJZSA-N 440.548 1.802 30 10 IDEE C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccco1 1751244707 CVTAJSFWMVFBOJ-JXFKEZNVSA-N 433.534 1.811 30 10 IDEE C#CCN(c1nnc(CC)n1CCOc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1760185745 CKRIAOIMUHOCEJ-OAHLLOKOSA-N 432.502 1.275 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1760233332 KWCKCRYZWIFHTG-JKSUJKDBSA-N 427.596 1.356 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCN(C(C)C)CC1 1760233649 ZOYSLLLGAMVFQP-UHFFFAOYSA-N 428.537 1.701 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCCOC1 1760247746 NITZMOCNGSBLML-UHFFFAOYSA-N 434.500 1.625 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](COC)C1 1760280753 ITUGRLXJFMEDLY-DLBZAZTESA-N 426.608 1.800 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(N(C)C)CCSC1 1760458811 VBJFDHHPYMVYSF-HXUWFJFHSA-N 425.566 1.980 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1760464389 GQUFVHMMBKZCRL-MRXNPFEDSA-N 449.562 1.286 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760520623 UOMMFBMBFUTHLP-SFHVURJKSA-N 440.548 1.414 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760552442 NUMPMGDCOONIEG-UZLBHIALSA-N 433.534 1.325 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1760560829 GMXHMBQRJSTNGF-UHFFFAOYSA-N 435.575 1.546 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ncn(-c2ccccc2)n1 1761462808 ASAXQEUYOHZRQB-GJZGRUSLSA-N 443.537 1.256 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CN4CCCC4=O)n3CC(C)C)CC2)c1C#N 1762402442 ATSUHMTWJUASSI-UHFFFAOYSA-N 425.541 1.297 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1763922897 ACSGBSCDBHQQJI-HZPDHXFCSA-N 446.577 1.991 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)CC1 1767150132 JUDSNOARENXEMM-LJQANCHMSA-N 430.601 1.528 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1 1770738924 STLFLEDQLVQLAL-NQIIRXRSSA-N 426.452 1.976 30 10 IDEE Cn1[nH]c(=NC(=O)c2[nH]ncc2C#N)nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 1852063493 IWGZAOSHCDOVFP-UHFFFAOYSA-N 445.409 1.429 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)CC2)n1 1852370832 VBFPINMIJUEOAK-UHFFFAOYSA-N 429.484 1.747 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)NCC#Cc3cccnc3)CC2=O)CC1 1853100066 NWQQKWVWMCHHHM-SFHVURJKSA-N 426.517 1.797 30 10 IDEE CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854400704 FUMWJRUORSWNIN-UHFFFAOYSA-N 433.530 1.855 30 10 IDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1856540055 HHKJMSJTEHHAGA-YJBOKZPZSA-N 433.505 1.743 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc(Cl)c3C)C2)CC1=O 1856803881 VWQQNLKNLLMTLZ-KGLIPLIRSA-N 428.894 1.531 30 10 IDEE C[C@@H]1CC(=O)N(C(=O)CN(C)C)c2ccccc2N1S(=O)(=O)c1ccccc1C#N 1857118209 LPIQZHXJTORCSQ-OAHLLOKOSA-N 426.498 1.967 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(CC)nn2C 1864324060 XBLPXHKHVITQHP-GOSISDBHSA-N 439.516 1.494 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)cc1 1870095874 XILWCKJBAURPSC-UHFFFAOYSA-N 426.414 1.627 30 10 IDEE Cc1cc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)ccc1[N+](=O)[O-] 1870156681 ZYOUUTVYIBUWIS-UHFFFAOYSA-N 431.368 1.834 30 10 IDEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873592978 ABEDYBQFVVMEAD-UHFFFAOYSA-N 441.580 1.781 30 10 IDEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873594886 FZTWCZUIFSDMEZ-UHFFFAOYSA-N 435.536 1.025 30 10 IDEE COc1ccccc1OCC#CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 1890309335 KIJHXRNGXZMGJK-UHFFFAOYSA-N 428.466 1.709 30 10 IDEE COCCCn1c(C(=O)N2CCC[C@@H]2C#CCN(C)C)cc2c(=O)n3ccccc3nc21 1890353987 WOMDUBPGGMPXGM-SFHVURJKSA-N 435.528 1.855 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@](O)(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1950636471 RLCPDYWRDVQOFK-NFBKMPQASA-N 430.549 1.695 30 10 IDEE CC(C)(C#CC(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1)NC(=O)OC(C)(C)C 2023912075 CSMWQNJTGAPDHW-NRFANRHFSA-N 439.509 1.874 30 10 IDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2118169499 XLNYJTORSODNBN-LSDHHAIUSA-N 434.440 1.914 30 10 IDEE C#CCn1ncc(NC[C@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2162293094 HOWLGZWDRHLNEU-STQMWFEESA-N 441.326 1.981 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247837741 XHXQETUWCPBOJP-MRXNPFEDSA-N 433.261 1.725 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2255669577 QJXDVLKOLMQUOU-UHFFFAOYSA-N 433.314 1.404 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 2255740163 WIGMOMXJQIELPF-UHFFFAOYSA-N 444.326 1.160 30 10 IDEE CN1CCN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](CNC(=O)C(F)(F)F)C1 2255854643 FFTXFGPZPZSDBM-MGPQQGTHSA-N 433.280 1.680 30 10 IDEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)N(C)Cc1ccccc1 2255948914 QYCGUDJSDOOEMI-MRXNPFEDSA-N 448.398 1.518 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267099549 LLRGAFZZRIBTEF-SNVBAGLBSA-N 447.305 1.665 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267179821 VRYZRDNQIRKOSL-LSDHHAIUSA-N 446.357 1.943 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2267269513 FJFHPZZHEKZVCI-ZSEKCTLFSA-N 447.345 1.244 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504396 RGOWQFCZNFIIJV-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 2267548321 FQPIZCDPQRXYOL-ZDUSSCGKSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268699942 HUDOXMPFTJTIGN-GOSISDBHSA-N 448.369 1.920 30 10 IDEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 2296608940 MYYBTPHYULJDBX-HXUWFJFHSA-N 441.459 1.983 30 10 IDEE COc1ccc2c(c1)c(C=Nn1c(S)nnc(CCC(=O)O)c1=O)c(C(=O)O)n2C 2321663821 YPPYRITZTLRKMB-UHFFFAOYSA-N 431.430 1.025 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)n1C 2337187669 HSUGHIFCLIJGNB-UHFFFAOYSA-N 446.357 1.863 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2337196211 IPXPVPZITBCXIS-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3)n2)s1 20831820 OUWUISADVKQYIB-UBKPWBPPSA-N 449.547 1.410 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 219944076 ZYOVOMFKVHSGGN-QGZVFWFLSA-N 441.513 1.816 30 10 IDEE C[C@H](C(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)n1cnc(C#N)n1 409973875 KWJOVNUANABRLP-UWWQBHOKSA-N 438.488 1.511 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 426246131 YZUGCEFDHBCTPK-MRXNPFEDSA-N 427.486 1.352 30 10 IDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 438839440 WUNKLIXZPRXKLL-MRXNPFEDSA-N 430.318 1.248 30 10 IDEE COc1cccc(C[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)n2nnnc2C)c1 461299537 ZHZITIXDBHEDSI-IBGZPJMESA-N 429.444 1.865 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 469555498 AHXADGZTKXXVAZ-LPHOPBHVSA-N 445.545 1.738 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 477524812 LZWRXEAICLKDPI-UHFFFAOYSA-N 429.564 1.008 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481986108 ZZYWYCPIRSCSOH-OAHLLOKOSA-N 442.566 1.297 30 10 IDEE N#Cc1ccc(Oc2cccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)cc1 484917443 OFDMLMVBFCEZRP-UHFFFAOYSA-N 434.496 1.967 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 512997353 HNXMZTPFQVXLHJ-UHFFFAOYSA-N 428.514 1.528 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1 513788720 WIAPUAMVIVXZPU-KRWDZBQOSA-N 439.493 1.329 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 514523585 SWNODCCYLZEQOC-UHFFFAOYSA-N 441.513 1.173 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)n1cnc(C#N)n1 539504823 SBWHZLLGNRKCEM-HNNXBMFYSA-N 430.534 1.541 30 10 IDEE C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 544832549 VJMMLIFPLNBTLW-MRXNPFEDSA-N 427.530 1.656 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 549644743 VGPHRKXVWVFJGA-KRWDZBQOSA-N 425.555 1.337 30 10 IDEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2cccc(Br)c2)cc1 572215520 CBWUDUPLJSNDOL-UHFFFAOYSA-N 438.303 1.794 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 585827666 GEHGACARJUFSGH-FFQNAWCLSA-N 436.468 1.844 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1=O 590233230 AUNOTOWHORJZCW-ADLMAVQZSA-N 448.277 1.096 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2csc(N3CCCC3)n2)cc1 609637166 FJUZWNBGHVPVJP-UHFFFAOYSA-N 433.559 1.908 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 611108992 LODDGDJTGVYFLT-DFQSSKMNSA-N 444.557 1.922 30 10 IDEE C=C(C)Cn1c(COC)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 619836257 BCMWUTWQWNDHBH-UHFFFAOYSA-N 436.494 1.420 30 10 IDEE C=CCOCCNC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 679489642 DLSQQFLYJCGBQZ-UHFFFAOYSA-N 427.523 1.359 30 10 IDEE C#CCN(C(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1)[C@H]1CCS(=O)(=O)C1 729332246 LRDMGHUSSIOVGP-KRWDZBQOSA-N 437.477 1.354 30 10 IDEE C=C(Br)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731405264 FRWSNBBOZFFAFN-CYBMUJFWSA-N 431.308 1.603 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 733150096 AKWHAECAWQDIAF-HFSMHLIXSA-N 439.556 1.796 30 10 IDEE C[C@@H](OC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)C(=O)NC[C@H]1CCCO1 734179662 OAPNGYDSWMZKMJ-NXEZZACHSA-N 433.408 1.997 30 10 IDEE COc1ccc(Cl)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c1 743728188 LOGMBPCFWAAMMN-UHFFFAOYSA-N 441.896 1.936 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)cc1 749252285 OHKIOEUJOXKQTQ-UHFFFAOYSA-N 428.510 1.930 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 753134452 FCTSMKKFSYDOMU-ZWKOTPCHSA-N 427.505 1.968 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)NC(=O)N(CCS(=O)(=O)c1cccc(C#N)c1)C2=O 753917656 MJVZFZVAAMOQOO-FQEVSTJZSA-N 448.501 1.263 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)c1 755461856 SQZKSZBXZGSNBK-UHFFFAOYSA-N 425.470 1.117 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCN1C1CC1 757049563 NJEPFWONUDPIEA-LJQANCHMSA-N 449.552 1.751 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 758752614 CSJHVILQOBMJRT-VHEBQXMUSA-N 431.880 1.220 30 10 IDEE CCOc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1 771539602 PZFWMBZSYZTZDP-MRXNPFEDSA-N 443.533 1.452 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCc2cc(OC)c(OC)cc2CC1)c1cc[nH]n1 772147051 XXYQBVQWJYBCMQ-UHFFFAOYSA-N 430.461 1.338 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 772477159 CKWQNFULYUPMJO-VHEBQXMUSA-N 437.481 1.814 30 10 IDEE CCOc1c(Cl)cccc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 782600953 WSFAUOGTDPXKMP-UHFFFAOYSA-N 444.944 1.321 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 787697708 YFOIYJZETXVUNS-PGUCZKJOSA-N 441.553 1.130 30 10 IDEE N#C[C@H](C(=O)Cc1c(F)ccc(Br)c1F)C(=O)N1CCS(=O)(=O)CC1 800392301 MGURIJINSFUUCZ-SNVBAGLBSA-N 435.246 1.236 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 800782152 UZWYDPSWYHCNRM-CABCVRRESA-N 425.555 1.860 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812425742 SEYAPKPDUXXSOU-RDJZCZTQSA-N 444.513 1.337 30 10 IDEE C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 812529441 CUMZIDMMCCCQBG-AOCRQIFASA-N 443.614 1.919 30 10 IDEE COC(=O)[C@H](OC(=O)c1cnn(C)c1I)c1ccc(C#N)cc1 815515123 RYSKLCAZNZTXIX-GFCCVEGCSA-N 425.182 1.967 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)c1 856586720 KVLRMWJZLXTKKI-FQEVSTJZSA-N 434.518 1.306 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)cn1 1084483241 UCAKWXSRGKVMOD-UHFFFAOYSA-N 427.494 1.560 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)c1 1125570087 JEVZYZSBOAJUHJ-UHFFFAOYSA-N 426.477 1.177 30 10 IDEE N#Cc1cn(CC(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c(=O)nc1O 1137712850 BDWKJSJYIIVMTF-XMMPIXPASA-N 430.464 1.683 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN(CC(F)(F)F)C1 1141474005 QGHDVIFIRPCMOJ-CQSZACIVSA-N 446.495 1.896 30 10 IDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1154888771 GTTPDCBHPFQMGF-APWZRJJASA-N 441.513 1.033 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 1158448017 OQCVOISNLMKCIZ-NRFANRHFSA-N 432.480 1.865 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCS(=O)(=O)C[C@H]3CCO)c2C#N)C1 1176333425 DOWYYAFMFSBFQH-ZIAGYGMSSA-N 425.576 1.555 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1179869693 ICYFVXJRXSFBGY-HXUWFJFHSA-N 427.461 1.693 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1286274776 PAVGKMWQTIYXBM-HOTGVXAUSA-N 441.561 1.795 30 10 IDEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286321050 KQBFXCABEWEBKH-FQEVSTJZSA-N 433.516 1.886 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286339442 WAHCNYMUJGJTNM-QFIPXVFZSA-N 434.504 1.824 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1286566898 KCGHWIQWEVBXOH-INIZCTEOSA-N 444.565 1.920 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1286599907 DTNUQAHUUGETHS-WMZOPIPTSA-N 441.598 1.734 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1286787505 VLVXAAAZOICKGT-QGZVFWFLSA-N 448.531 1.693 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1286788896 JSOIKNZLNJTPPY-UHFFFAOYSA-N 433.516 1.136 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)C1 1286807921 HKXFCTIGACGHIU-WMZOPIPTSA-N 445.545 1.484 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)O2)[C@H]1C 1288969544 RQYGRYYWQSCKDY-RAPGBXEASA-N 440.500 1.852 30 10 IDEE C=CCOCC(=O)N1C[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 1289221055 ATIRBGQXZLYTQB-PKFZQDLRSA-N 426.513 1.213 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@](=O)CC)CC1 1297605671 JSYIYQRWOJPZPB-SSEXGKCCSA-N 430.578 1.744 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCOCC2)c1 1300319460 BEQWEONNAPFDBE-IBGZPJMESA-N 436.560 1.739 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 1300411434 IXTVVXJOOJGKDT-KRWDZBQOSA-N 448.568 1.962 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCCC1 1300465310 LIEBQRGTJNJICS-INIZCTEOSA-N 446.552 1.702 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1300537304 DELGLLLVCVOPST-NRFANRHFSA-N 448.552 1.546 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCNC(=O)Cc1cccc(F)c1 1300541294 QGNGAWFGDUBEEH-UHFFFAOYSA-N 430.487 1.835 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1COCCO1 1300560607 GLJRTUGHLASMDR-GOSISDBHSA-N 440.500 1.849 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1300561132 LQFKNWYHETXEKM-UHFFFAOYSA-N 437.529 1.471 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC1CCOCC1 1300609226 KTXKSTUJDGLPQM-UHFFFAOYSA-N 436.520 1.966 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1300630265 ABGXKJKWQNLSNS-MRXNPFEDSA-N 444.540 1.706 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300693542 ZXFFHRXHFJHZEM-MRXNPFEDSA-N 433.965 1.788 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301042954 ZNCQZWWUFZIKAN-YJBOKZPZSA-N 429.974 1.234 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301728312 YVZWKNXCCZPKMJ-QUCCMNQESA-N 437.548 1.357 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1302208924 OQLIYTXEUFAOIX-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)CC1 1303011099 COUMZOOGGXPHNA-MRXNPFEDSA-N 446.533 1.220 30 10 IDEE COC(=O)C(C)(C)CS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1309655776 CLBRZUSRYFAMAS-UHFFFAOYSA-N 431.518 1.599 30 10 IDEE C#C[C@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)C1CCOCC1 1313042047 CHXZEYVBKCWOQK-SCYDXJQRSA-N 449.548 1.903 30 10 IDEE CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314533001 HKYORXHZWWRUJH-UHFFFAOYSA-N 431.566 1.505 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1 1316230972 WOSQTUHWKCQMER-UHFFFAOYSA-N 427.509 1.625 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)c2)NC(=O)NC1=O 1318201726 BUUWCTITAULMFN-QFIPXVFZSA-N 433.472 1.040 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C[C@H]2CCCO2)CC1 1357650770 JIUQXQHVJQKTQB-GOSISDBHSA-N 429.546 1.283 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358965848 CAIWUNITHRYCGK-GOSISDBHSA-N 449.621 1.942 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1358994492 OORPCXKSOYKOJP-LJQANCHMSA-N 449.540 1.272 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@H]2CCCN(C(C)=O)C2)n1 1359027722 UINAJAQNFSEESP-IBGZPJMESA-N 439.564 1.897 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359044167 XQNNWVCLADFZAQ-QGZVFWFLSA-N 444.561 1.206 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359059468 ODQSHVMDUHDMQA-KRWDZBQOSA-N 425.518 1.900 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359142384 GRNRAUIIEMUMGD-IRXDYDNUSA-N 440.976 1.497 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359334740 PGVBWDGSRBDRLK-SFHVURJKSA-N 433.582 1.881 30 10 IDEE CC(=O)NCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1359453741 TUJRNMVWJSZUSN-SFHVURJKSA-N 425.493 1.402 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1359614456 FQALXEBEDLJNHU-FQEVSTJZSA-N 438.532 1.927 30 10 IDEE N#C[C@@]1(C(=O)NC[C@H](O)COc2ccc(I)cc2)CCCOC1 1445805183 UFPKRCPVXJONQS-BBRMVZONSA-N 430.242 1.467 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)OC 1451183282 VVZNONCWEBCQJO-QGZVFWFLSA-N 444.465 1.553 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)s1 1451496004 XQTZTGDFXIIYAQ-FQEVSTJZSA-N 433.555 1.411 30 10 IDEE C#CCN1CCCN(C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1465280064 IPZCSZDLUTUOGE-UHFFFAOYSA-N 427.549 1.920 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc21 1472371313 QOIIJMXIIIBEDH-MRXNPFEDSA-N 437.456 1.743 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 1473522358 WECHJPIHZLBKHB-INIZCTEOSA-N 438.575 1.418 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1503403109 UNZWAZJASLQWJT-MSOLQXFVSA-N 426.477 1.509 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1503403681 RJMXAQCHNDRJQC-GOSISDBHSA-N 432.550 1.018 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1OC 1504184009 DNMYGQWZXUNSJV-NHCUHLMSSA-N 430.484 1.471 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cc1OC 1504202328 FZDVAONSPBXYKG-INIZCTEOSA-N 442.520 1.996 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC1=O 1504913375 IPGSKSHPWMLSSU-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1505134470 FYFLCZIJQMQDJU-MSOLQXFVSA-N 445.545 1.636 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1507615915 CSWWHYRTSOSEEN-LSDHHAIUSA-N 430.530 1.630 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1507631747 SVJYJZIYMNGATF-LAUBAEHRSA-N 432.546 1.900 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1507638167 PBPBPNQLKLXBGP-UHFFFAOYSA-N 439.541 1.233 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1507669442 MIGXOYQMCCEVEE-VGOFRKELSA-N 444.532 1.690 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC=CO2)n1 1507717684 XWIKTJRRZJOMRB-RBUKOAKNSA-N 439.520 1.405 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)CC1 1507733138 YAKVIZKKUCCMCP-UHFFFAOYSA-N 446.502 1.610 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507847905 RTMRRJGCZDZKEA-GHTZIAJQSA-N 430.597 1.812 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1507958321 UFBCYXHJSZJPPP-PWIZWCRZSA-N 439.582 1.488 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507959260 KQUXJBLKVNOLDT-UHFFFAOYSA-N 449.515 1.930 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)C(C)C 1508011025 JZFGXTXHHDYHDS-RTBURBONSA-N 429.569 1.758 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1508040352 WPOSIBBUEOLECZ-SJORKVTESA-N 432.546 1.995 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508093834 CZIWXCXAMDGHQQ-FPOVZHCZSA-N 438.576 1.522 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508146739 BOPDPMZKUMYJKH-HNNXBMFYSA-N 429.550 1.902 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)CC1 1510288251 GDNYWUPQNZIOEW-MRXNPFEDSA-N 425.493 1.861 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CCOCCCO)cc1 1521089928 MXENBJSCXDVDIT-HXUWFJFHSA-N 440.548 1.374 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1521128679 GQASXKOSDRRXJR-CVEARBPZSA-N 443.895 1.239 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C)c(C#N)cn3)CC2)cc1OC 1538700562 OGFVQBQBPICJGP-UHFFFAOYSA-N 444.513 1.862 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1539013148 IAAWAKRTUOQZKE-CABCVRRESA-N 432.502 1.446 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539066123 PNMMLHBAZZCSND-KRWDZBQOSA-N 438.536 1.548 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1N1CCOCC1 1539145614 OHSVNIHCLQJBFV-UHFFFAOYSA-N 432.488 1.275 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539193790 KYRUYHIISMMLJJ-SFHVURJKSA-N 434.552 1.710 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(=O)(=O)CC 1539307731 XRNOCGNRIMSNLM-UHFFFAOYSA-N 434.953 1.786 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1539475972 PDBSHDNPHJKMGU-UXHICEINSA-N 438.532 1.357 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@H]2C1 1539491291 ODJCRQMGKWWHCZ-HNNXBMFYSA-N 425.518 1.103 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540028669 RJGORLYCGKYHCP-QGZVFWFLSA-N 448.545 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540900384 TWIARVRLPWWEDT-QUCCMNQESA-N 445.589 1.703 30 10 IDEE CC(C)(C)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541195118 CCNZWJCVFBQLAI-KDDVOAFDSA-N 443.552 1.577 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1541664906 QTCXGYXCQHBZAP-HTAPYJJXSA-N 440.552 1.947 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1541990334 DVAVGYYUXLNEAO-MGPUTAFESA-N 436.582 1.473 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 1545647357 LNOIQCUFLXIYIA-ORIGZDJFSA-N 441.406 1.769 30 10 IDEE CCc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1546221844 KZDDSZISUWDMBC-XDOYNYLZSA-N 449.515 1.360 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C 1547637780 BDMVCXAPJBZVQK-IRXDYDNUSA-N 445.593 1.627 30 10 IDEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1554139266 ABKLEUYYVNMTKL-UHFFFAOYSA-N 431.440 1.876 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1555558516 VQBGLCMTGXUSBI-QKLQHJQFSA-N 443.504 1.697 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](c1ccc(F)cc1)c1ncc[nH]1)c1cc[nH]n1 1557310036 LEIWSGPRXWYRIW-GOSISDBHSA-N 428.424 1.804 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@](C)(Cn2cccn2)C(N)=O)cc1 1560214909 YNQADSJXRGVEEO-HSZRJFAPSA-N 449.515 1.643 30 10 IDEE C=C(Br)CNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1563823044 YUPOPQUIBDTKPX-LBPRGKRZSA-N 432.315 1.947 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)C1 1564873281 CBXLQXYLQWFKJF-INIZCTEOSA-N 427.505 1.817 30 10 IDEE CCCN1C[C@@H](CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 1564954110 XSBLFHUPBILWCG-OAHLLOKOSA-N 441.511 1.956 30 10 IDEE C#CCN(C(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1565186618 SJTXRJQOCAZNHC-LFDOHDQPSA-N 425.551 1.750 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1587620271 BWACHQWOTOVNKQ-SJORKVTESA-N 436.516 1.846 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(OCCOC)CCOCC1 1587663315 WZRSNRBUEOUJMO-GOSISDBHSA-N 430.553 1.810 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)C)c1 1587689284 FELVTKKITYNYOV-UHFFFAOYSA-N 431.500 1.793 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCOC2)c1 1587692612 GXPCYQWZTJBLLS-HKUYNNGSSA-N 436.516 1.712 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588482531 SSICHYQQAHZPFM-NRFANRHFSA-N 432.521 1.874 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 1589089972 ZLHAURQOJRXNDH-UHFFFAOYSA-N 439.545 1.771 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593747242 SHIBOZHKYSRJGV-RBUKOAKNSA-N 432.569 1.118 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 1594644113 CJSAYOXQQKTJNE-MLGOLLRUSA-N 431.474 1.086 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)C1 1595699970 JOUZTISKKUJWNP-CQSZACIVSA-N 435.431 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595772914 JJHFIBRALFSNIM-LJQANCHMSA-N 435.506 1.478 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1596788573 ANHSULHLOBUSOM-DLBZAZTESA-N 445.593 1.542 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1596821073 AQQFRBQNKXSXKM-OAHLLOKOSA-N 432.554 1.093 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1620065950 GISZSEGVLFIWNZ-AUSIDOKSSA-N 440.548 1.373 30 10 IDEE C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1620301229 FGZZYEGWROGZBG-CLOLTHTBSA-N 442.545 1.664 30 10 IDEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 1622746785 OWGZXANHNPJNLZ-MRXNPFEDSA-N 445.497 1.615 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 1625429582 PJNPAVKLBOIPNE-QGZVFWFLSA-N 436.530 1.849 30 10 IDEE C#CC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1630043731 RHPVJICLIVBSNT-OAHLLOKOSA-N 426.560 1.274 30 10 IDEE N#Cc1cn(CCNC(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)c(=O)nc1O 1633549854 BJOXBFYPJWFWNE-HXUWFJFHSA-N 434.452 1.639 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C3(n4cc(Br)cn4)CC3)C2=O)cc1 1634589042 SYIVBKTXKNCPPP-INIZCTEOSA-N 428.290 1.924 30 10 IDEE COC(=O)[C@]1(O)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1636664220 DEQGKIFONRGMID-VGSWGCGISA-N 429.473 1.529 30 10 IDEE CN1CCN([C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)CC1 1639049424 CEYRPWURPCICMC-OAQYLSRUSA-N 436.512 1.879 30 10 IDEE COc1ccc([C@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1648503254 AKDSENRWIVTEEO-CSODHUTKSA-N 433.530 1.237 30 10 IDEE Cc1nc(=NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n(-c2ccc(C#N)cc2)[nH]1 1650820075 BYAQTLHWXJZSGH-UHFFFAOYSA-N 438.513 1.793 30 10 IDEE COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1653443278 FNKMCAWDPFGIBI-IBGZPJMESA-N 442.541 1.968 30 10 IDEE C=CCC1(O)CCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1655634069 HKTQMMRCJBFGIU-IBGZPJMESA-N 435.590 1.619 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cn1 1655956318 KTJNEWCMQFKLOW-UHFFFAOYSA-N 437.319 1.666 30 10 IDEE Cn1ncc(I)c1CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 1655972596 CDKBVYWWFGQXCL-MRXNPFEDSA-N 435.225 1.864 30 10 IDEE C#CCN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1675071370 YXDNRVYHLDVDSJ-SFFUCWETSA-N 439.578 1.995 30 10 IDEE NC(=O)C1CCN(Cc2ccc(CNC(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2)CC1 1683350087 KZAHZJJGUXPZPY-UHFFFAOYSA-N 440.544 1.931 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1690059155 KFCNXDLRFKALBA-LBPRGKRZSA-N 425.584 1.545 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1690091423 SRZWVKSXWAXQMT-SFHVURJKSA-N 433.509 1.725 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1690136695 IGMAFIPBCPUOOU-LJQANCHMSA-N 439.564 1.768 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1690250345 GEXFPZLZVCGXBI-QAPCUYQASA-N 437.591 1.850 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1690526860 FJXZYNIOAHBBHX-ZWKOTPCHSA-N 438.598 1.250 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690527726 RUKYDEHLPOYUML-JKSUJKDBSA-N 435.525 1.286 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCOC1 1690611620 SNLWIOIUNISTLP-KRWDZBQOSA-N 426.315 1.826 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1690669428 FGOAXSZNZPVNFY-RTBURBONSA-N 438.532 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](COC)C1 1690717976 XDCKESJADPPGIJ-HNNXBMFYSA-N 435.506 1.927 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCCCO)CC2)c1C#N 1693406109 HXRXMUUALDVGBZ-QGZVFWFLSA-N 428.541 1.185 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CCS(=O)(=O)CC1 1694737205 DAEXDPGFASTWIU-UHFFFAOYSA-N 428.562 1.864 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1695008551 ADVNWVKXHAGXMD-LJQANCHMSA-N 433.520 1.994 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(OC)CCOC2)cc1 1697492779 CTTAUAMQGWVSRL-RXVVDRJESA-N 429.477 1.400 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)COCCO1 1698058857 OIBXFGDDYPCICI-FQEVSTJZSA-N 429.481 1.097 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1705524346 KBYUNBWHVUGDNC-CQSZACIVSA-N 432.506 1.773 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705559201 UEXWPARVHVNWFC-MRXNPFEDSA-N 437.566 1.002 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1705564453 OMAKTQRVOVCVAL-KRWDZBQOSA-N 449.552 1.289 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOC2CCOCC2)CC1 1705635295 VURIKNGCBROROE-QHCPKHFHSA-N 447.580 1.271 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(O)(CC)CC)CC1 1705645045 JTTRBNLEQGWXLT-QHCPKHFHSA-N 447.580 1.447 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1705647419 DNOWPVDXUPFMPH-TVTNDZMWSA-N 431.537 1.025 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1705666673 GOXZAWWXAPTQKD-HXUWFJFHSA-N 439.911 1.425 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1705754843 GWSWEPYHCZLLPZ-KBPBESRZSA-N 436.003 1.695 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCOC[C@H]2C)CC1 1705769643 YTBHTASSJJNZDK-KURKYZTESA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1 1705907040 YHYCBHWJAIHFFK-UHFFFAOYSA-N 430.484 1.390 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1707918940 BTTZLKFSVYIQIC-PXBNPBHZSA-N 426.452 1.830 30 10 IDEE CCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1=O 1710256261 KNRCWTZVKFFUSS-QFIPXVFZSA-N 442.520 1.890 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1722351099 GSRLGPSXHLGEAP-GOSISDBHSA-N 433.534 1.068 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1722362046 RGPVQTYJTFREJX-SFHVURJKSA-N 425.518 1.057 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1722380069 BPSUXIMYRPIADJ-UHFFFAOYSA-N 447.568 1.314 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722414968 GOCZUGTZTQHNKL-QGZVFWFLSA-N 447.561 1.749 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC(F)F 1722633074 OLIASOIWHLDJTL-UHFFFAOYSA-N 441.508 1.550 30 10 IDEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F)C1CC1 1722650623 HANAHMXAGRIBCF-UHFFFAOYSA-N 446.506 1.988 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1722703076 VNBUSVUAAPGSKV-UHFFFAOYSA-N 447.561 1.481 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722727422 IKXKKGYYDJVQFF-JKSUJKDBSA-N 436.538 1.458 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 1722843768 QPLFXXRPNGILCD-PMACEKPBSA-N 438.532 1.973 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)C[C@H]1O 1729782862 MSODLVCHSVNSBH-RTBURBONSA-N 427.505 1.730 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1730001355 YKCDTSZBTWPQAE-ARFHVFGLSA-N 433.896 1.876 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1730691071 NEONVIPVSYZMLI-SFHVURJKSA-N 439.564 1.842 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740571961 WUQYRIBNVIKAOZ-ROUUACIJSA-N 429.569 1.069 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1740642214 SSIAFIPUIXFWRO-UHFFFAOYSA-N 428.587 1.391 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOC2=O)cc1 1740644923 YXEGOMFEQCTEAD-UHFFFAOYSA-N 446.511 1.982 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1740649706 ACPNKIAGROBTLC-UHFFFAOYSA-N 431.323 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)CC=C)CC1 1740701577 MIHQBTSXJLCOFE-UHFFFAOYSA-N 445.545 1.413 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740927647 LCZHRYWLDXKTPA-UHFFFAOYSA-N 427.530 1.935 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740958176 KAZOPDXWVYQYEQ-GOEBONIOSA-N 443.483 1.113 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1740995381 JRQBHLHBDHDTMC-HUUCEWRRSA-N 439.563 1.765 30 10 IDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1741690013 BGNQTIWZAUCDHW-KRWDZBQOSA-N 439.520 1.345 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ncccc1N(C)C 1744696581 GCVWNIRBBFPTQB-INIZCTEOSA-N 432.536 1.727 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1745781407 UNCRTISOXUEMBE-UHFFFAOYSA-N 445.531 1.850 30 10 IDEE Cn1cc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1748010030 NFSONGOLSXSKRO-LAVFMPCWSA-N 446.462 1.687 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748803097 UZURBDODLWUEPL-GOSISDBHSA-N 435.594 1.821 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1749027454 ZQTPZCWXRLPJHJ-KRWDZBQOSA-N 443.573 1.850 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1749236337 GQHINPVUFYQJDY-MISYRCLQSA-N 427.505 1.946 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cs2)CC1 1749730896 UWUMDHJQNRLUMC-UHFFFAOYSA-N 447.590 1.966 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749756201 URTQFHXIBLYNRI-HUUCEWRRSA-N 428.580 1.489 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1750062618 XCHWRXIXZBYMMH-XFQAVAEZSA-N 425.493 1.859 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760118098 YAEDITYBNUIFBE-FCEWJHQRSA-N 445.545 1.530 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2(C)CN(C)C2=O)c1 1760126411 XXAHPGXUBIAYIJ-DEOSSOPVSA-N 443.511 1.875 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1760222385 JJBOHDIOJLPMMU-CALCHBBNSA-N 438.536 1.689 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCNC(=O)C(C)C)CC1 1760270758 YQOYIIQLPIJEIL-UHFFFAOYSA-N 430.597 1.995 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1760465039 VIXQQGANURXNHP-KRWDZBQOSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1760514908 OFIDLTWVJDJPMT-VXKWHMMOSA-N 430.553 1.506 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCOC2)C1 1760547156 FSGTVFNNGUZGSD-HTAPYJJXSA-N 430.505 1.798 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1760557623 RNTFWSPRYBZRIF-INIZCTEOSA-N 431.518 1.555 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CCO1 1760667791 GABKYDUDJZHZSK-FQEVSTJZSA-N 431.456 1.671 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1765650972 GAPBDPWSDRKQKU-UHFFFAOYSA-N 437.533 1.877 30 10 IDEE CCCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1766072921 CPQYIMUDDMTAAF-VKJFTORMSA-N 427.550 1.062 30 10 IDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1772563734 HWSHIJVWGOWDFP-LBPRGKRZSA-N 430.470 1.739 30 10 IDEE C=CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 1850863707 ODOIEDKHBUMPGH-UHFFFAOYSA-N 429.542 1.971 30 10 IDEE C=CCN1C[C@H](C(=O)N[C@H](Cc2ncc(C(F)(F)F)cc2Cl)C(=O)OC)CC1=O 1853100749 DGNSIRNYEZANAS-QMTHXVAHSA-N 433.814 1.989 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)n(C)n2)C1=O 1854192569 AOXMLZJIGGBSES-JKSUJKDBSA-N 427.530 1.608 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)cc1 1856631593 WLONJONJCCSTJI-UHFFFAOYSA-N 433.530 1.756 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862743086 KUYAWQXKHJCIOI-KRWDZBQOSA-N 444.396 1.888 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868743122 CFSRCGUMGYMPAB-LJQANCHMSA-N 435.546 1.904 30 10 IDEE CN(CC1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)CC1)c1ncccc1C#N 1891839277 TYGMDODVPAZQKG-UHFFFAOYSA-N 432.488 1.683 30 10 IDEE C=C(CS(=O)(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC)B1OC(C)(C)C(C)(C)O1 1901536929 KJGYJMSRGURXSM-AWEZNQCLSA-N 434.364 1.633 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2085300820 WMGPAPAUWYNKNU-MELADBBJSA-N 437.346 1.696 30 10 IDEE C#CCn1ncc(N[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1=O 2106022382 RIBVXODDJNLQRJ-DGCLKSJQSA-N 427.299 1.591 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2131511075 SDNMBZJNWVGPDJ-KRWDZBQOSA-N 448.369 1.778 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644778 KWELPILKWXIJHL-DZGCQCFKSA-N 432.330 1.904 30 10 IDEE CCC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN(C(=O)OC(C)(C)C)C1 2255649385 SREZDSZFZBBVCG-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255654799 DDWSOBZLYJGXDS-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256063851 PSWGUDSORABGDK-NRFANRHFSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2256613545 JKKIPQARPRBSJU-INIZCTEOSA-N 432.326 1.761 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2259354748 GNIMKLXTNOANKO-KBPBESRZSA-N 434.346 1.752 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267142619 WQMKFGAAPIRCQL-UHTWSYAYSA-N 442.247 1.381 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2267181556 UDPUDUIQNPDFEO-OAHLLOKOSA-N 446.357 1.991 30 10 IDEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)C(F)(F)F 2267546877 CNQVSHDZGKUTQJ-AAEUAGOBSA-N 442.247 1.305 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CC2(C1)OCCO2 2267705683 KIBRIONIWQBZSL-UHFFFAOYSA-N 429.369 1.787 30 10 IDEE COC(=O)[C@@H](CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2268629078 QRUMIIIYMMOPRM-CQSZACIVSA-N 449.313 1.776 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268668662 HLKRBWGQGISRGS-ZBFHGGJFSA-N 447.341 1.937 30 10 IDEE N#CCCN(Cc1ccco1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286034771 NBRLAKXCBCUEER-QGZVFWFLSA-N 435.458 1.705 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)c(F)c1)NC(=O)OCc1ccccc1 2286035622 AEFNTYBLZCUYNU-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE CCOC(=O)C(C(=O)CS(=O)(=O)c1ccc(C)cc1)=C(N)NC(=O)c1ccccc1 2293963646 FSDFMVSUKRUNFW-UHFFFAOYSA-N 430.482 1.501 30 10 IDEE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=Nn1c(S)nnc(CCC(=O)O)c1=O 2323028716 GZDFCLAHECGJQT-UHFFFAOYSA-N 437.434 1.532 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(C(=O)O)cc1 2329034845 VJALAKPZDBERFH-OAHLLOKOSA-N 445.501 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2356120387 KMALWUOFDFAFCZ-QLFBSQMISA-N 440.294 1.990 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]2CCN1C2 2368802605 FPXRUEDQEBMPPB-DLBZAZTESA-N 430.530 1.455 30 10 IDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1O 21318947 CZWMQRPHIFWADX-FOKLQQMPSA-N 441.517 1.869 30 10 IDEE N#Cc1ccc(C2(C(=O)NCCS(=O)(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 436113893 WVYSLKLIWXFEHZ-UHFFFAOYSA-N 439.541 1.253 30 10 IDEE CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 448035611 RJWFIXUADBKLIA-LJQANCHMSA-N 433.578 1.695 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1C#N 461190174 CQQOHVDBDCMEDA-AWEZNQCLSA-N 444.473 1.778 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CC(=O)N3CCCC3)C[C@H]3CCCO3)cc2C1=O 495850078 QLMFJXPSSUKRTR-QGZVFWFLSA-N 425.485 1.712 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)cc1 503643902 OTESRUFSGIVAPS-UHFFFAOYSA-N 446.573 1.795 30 10 IDEE COC(=O)CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1 511712175 GSPZTKMORNWEKP-UHFFFAOYSA-N 433.530 1.951 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@@H](C)O1 540784030 JQXSTVHUGJEMIE-IAGOWNOFSA-N 432.546 1.354 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 543980446 SBGPXLBBXZXMGS-FQEVSTJZSA-N 435.532 1.310 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 555253612 NGFOCFUPJAKCQK-HUUCEWRRSA-N 440.595 1.884 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(N(CCOC)CCOC)CC3)cc2C1=O 560769540 VRGQLBNPCDPMCI-UHFFFAOYSA-N 429.517 1.668 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 575793269 PMSQKRVXBBJOAF-SFHVURJKSA-N 436.497 1.985 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671665993 YVDUNKCKUIQPQY-GOSISDBHSA-N 446.529 1.454 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1 730144831 RRJGTDJJXIUAMD-GOSISDBHSA-N 443.573 1.192 30 10 IDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CC1 732649576 KQXMSESLSUFGMW-HKUYNNGSSA-N 447.517 1.337 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C)cc3)c2=O)cn1 735069563 WEHXKGWNMNEGFG-UHFFFAOYSA-N 433.537 1.596 30 10 IDEE COC(=O)[C@@H](OC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)c1ccc(C#N)cc1 740199450 PTFVWUFBSUCXKQ-SFHVURJKSA-N 432.454 1.888 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1)c1cc[nH]n1 770833271 LVUBWCIFAYDIER-KRWDZBQOSA-N 443.460 1.332 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771448203 UAIOSGONOZPFFL-IVZQSRNASA-N 444.488 1.322 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[C@H](C#N)c1nnc2n1CCCCC2 777295649 HESUKUUHNRPDKH-LSDHHAIUSA-N 430.509 1.696 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)C(=O)NCCNc2ncccc2C#N)C1 787777074 GZKUBFVFZQFADT-OAHLLOKOSA-N 430.509 1.245 30 10 IDEE C#CCN(C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 793410042 MDVXMLTWTNOOCK-KRWDZBQOSA-N 425.551 1.776 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCCC2(C#N)CCOCC2)[C@H](C)O)cc1C 800077332 MMIUDFMCBDPKKP-HKUYNNGSSA-N 438.546 1.975 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 803697512 IDMKKTQHRXYVPX-UHFFFAOYSA-N 442.537 1.214 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2ccn(-c3ccc(F)cc3)n2)nc1 809173707 LHKKXFUGKAKRRP-UHFFFAOYSA-N 434.474 1.667 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1126897744 RDTOQPWGOHOLFF-GNTOHDJUSA-N 444.285 1.623 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCC4(CCOCC4)CO3)CC2)cc1 1136149368 HWLGXPXVYKDWIV-LJQANCHMSA-N 447.557 1.757 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 1141775648 SFAITLGYAMHASZ-MRXNPFEDSA-N 438.571 1.418 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O 1142284429 AYPVMVXEBBNAQF-UGSOOPFHSA-N 430.461 1.286 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CC2(O)CCOCC2)CC1 1168941191 NFYGYQWFIIDWHX-MOPGFXCFSA-N 438.366 1.924 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2 1230534862 KCELBJFVOSOEEA-WMZHIEFXSA-N 426.517 1.744 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 1233658076 MZHSVLJSQBUZKF-UHFFFAOYSA-N 435.456 1.516 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2)c(F)c1 1245969680 DSDDJSQBJXJUDS-FQEVSTJZSA-N 444.555 1.326 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)CC1 1253866890 HLHMWMLGXKVHHO-UHFFFAOYSA-N 431.562 1.737 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286277458 YQTMRYCXKVSZCA-SQGPQFPESA-N 439.582 1.058 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1286278304 MWLJYNSTHWDOPY-LSDHHAIUSA-N 436.607 1.466 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1286298327 IKGSNVWEFHFCGK-MAUKXSAKSA-N 429.546 1.388 30 10 IDEE C#CCN(c1nnc(CC)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286396675 XFKWAUVKOBXYAX-KRWDZBQOSA-N 432.546 1.945 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1286404789 YFQUWRVECCKMJT-GOSISDBHSA-N 449.511 1.284 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1286409171 PDTQBHBIXNZEDW-UHFFFAOYSA-N 445.527 1.787 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286465224 KEWGZDGBBNMHOK-KRWDZBQOSA-N 449.552 1.899 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[C@H]2COCCO2)CC1 1286489761 BIHPNLIOIATXFB-IBGZPJMESA-N 438.532 1.420 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(F)(F)CC1 1286788594 ZHYCNQILLJZENP-UHFFFAOYSA-N 446.506 1.990 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCSC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286792732 GNZZBASLQCLZCH-RTWAWAEBSA-N 435.594 1.954 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1286793097 RJEWBDDYJSQSBO-CQSZACIVSA-N 430.534 1.193 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2)C1 1286810494 RYSPFWKMRKRUFN-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1288715270 UDVWEWNLTMZJLC-ICSRJNTNSA-N 440.548 1.922 30 10 IDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)COCCO1 1289053036 TYWIKEULSZDDAB-GHTZIAJQSA-N 445.545 1.636 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nnnn3CC2)c1 1291722599 RDNBIXRODFRPKR-DPFXTCQJSA-N 445.549 1.857 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1300352935 QTSXZNYBAPPJRV-GOSISDBHSA-N 425.489 1.819 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300497062 XDFXNYQAGHHAQF-RTBURBONSA-N 433.578 1.061 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1300577795 BUDNNLDKZMQLOP-FQEVSTJZSA-N 426.542 1.838 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300596895 YRTWJHOXGSAKTD-IHFIDZABSA-N 428.533 1.803 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@H]1C 1300651039 ZQXNDGRLCZNFQC-FDDCHVKYSA-N 441.532 1.773 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@H]2CCS(=O)(=O)C2)n1 1300681489 RJDDMHWUVUQUPT-MRXNPFEDSA-N 432.550 1.073 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCC2)CC1 1301106760 WJOASPHMVRVJLZ-MRXNPFEDSA-N 438.598 1.693 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccn(C)n1 1301416884 KDQLHCKPMBZIQN-UHFFFAOYSA-N 430.534 1.769 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301512135 MGZYVGANGFGVOD-QQMHEVNUSA-N 437.504 1.729 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)C1 1301535128 IAONPXQPLSVRGP-IBGZPJMESA-N 433.553 1.881 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1303635562 HTNOCDFWONRLTI-CYBMUJFWSA-N 434.522 1.711 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC(C)(C)O1 1305153454 CPFCWYYDHCOMQS-HNNXBMFYSA-N 432.550 1.712 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1314564115 NYAQVSXVQYFXOB-WENCNXQZSA-N 428.518 1.616 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1316285484 PYEUSWXSIAIGJQ-DOXZYTNZSA-N 443.545 1.657 30 10 IDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316344292 HMURHXVHUZOCFS-SJLPKXTDSA-N 436.582 1.173 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1358890640 SJJUXWKVGNKHTL-AEFFLSMTSA-N 433.534 1.148 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1358984110 IUGBKUAZCGRSNK-WZONZLPQSA-N 434.500 1.726 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1359150628 CLIKDUAXDRHXAE-LBPRGKRZSA-N 432.959 1.456 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1359222017 WCHGPANRTNGBMO-KRWDZBQOSA-N 427.509 1.623 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359228994 VLGVUTWXUANLRS-GOSISDBHSA-N 436.582 1.746 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1359240366 MNRNOIWHVIJHCZ-KRWDZBQOSA-N 439.513 1.451 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1359263977 RADLTKCHMLYJLQ-CQSZACIVSA-N 433.563 1.611 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359287856 ZHSFMYNKEGUFBP-ZDUSSCGKSA-N 437.551 1.073 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 1450547108 GJJVRILEZUPWGS-LLVKDONJSA-N 435.399 1.654 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3csc(I)c3)C2)c(=O)nc1O 1457199561 UHSFNCJMRVXYLH-UHFFFAOYSA-N 428.211 1.184 30 10 IDEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCN1c1cnccn1 1460969840 FAAFYAVBXIXYEZ-MSOLQXFVSA-N 425.562 1.458 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CC[C@H](O)C2)CC1 1470287377 XFBOLKYUHCEBCD-SFHVURJKSA-N 448.589 1.343 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1472203023 RXDHRNVDYSEYSQ-MOPGFXCFSA-N 447.557 1.963 30 10 IDEE Cc1nc(=NC(=O)CCNC(=O)N2CCc3ccccc3C2)n(-c2ccc(C#N)cc2)[nH]1 1472515404 CAZGOLVOKBWALH-UHFFFAOYSA-N 429.484 1.966 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(C#N)o2)CCOC1 1502654915 JHOXFKLUAXKOCO-NRFANRHFSA-N 430.509 1.212 30 10 IDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1503195491 UPMIMKOBNJWJFT-GOSISDBHSA-N 446.577 1.961 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1504938518 SYPIWCJWPISFMW-UHFFFAOYSA-N 449.515 1.343 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1505071781 FQOFHPRSBZZQSF-FIKGOQFSSA-N 428.468 1.591 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)nn1C 1507526712 DXKOODVIIHSNTF-OAHLLOKOSA-N 426.550 1.786 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCN(CC)CC1 1507612134 RFLHXOZUUAUXBJ-QGZVFWFLSA-N 427.553 1.349 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1507631846 UIURMRVIHWIVLW-KRWDZBQOSA-N 431.566 1.094 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1507958318 UFBCYXHJSZJPPP-FFZOFVMBSA-N 439.582 1.488 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccc(C)cc2)CC1 1508086326 KOSSFPASPRUJAY-LJQANCHMSA-N 438.532 1.888 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1508094407 XRQIDEGLHGXEJF-SJORKVTESA-N 432.569 1.463 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508146850 CEWUXVHRJUCQPK-UHFFFAOYSA-N 439.545 1.968 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(C(=O)NC)c1 1513924670 OOLJIKLHESNOMD-UHFFFAOYSA-N 430.516 1.842 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1516021332 DAYKKWASHFBYOL-HKUYNNGSSA-N 444.561 1.761 30 10 IDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1519113193 CJOIAMQFCNPVJO-UHFFFAOYSA-N 429.525 1.714 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1521352710 FTOUNLUDUJLTNW-INIZCTEOSA-N 438.488 1.966 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cnn(C(C)C)c2I)CC1 1524010435 GZWDCYTYLWXBGL-UHFFFAOYSA-N 428.274 1.670 30 10 IDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1537003738 KRKXLMGXRXGNHJ-ZHRRBRCNSA-N 431.489 1.785 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(S(C)(=O)=O)CC1 1539242634 ZIXWEBPNMPTTBP-UHFFFAOYSA-N 434.525 1.985 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(C)(=O)=O 1539291881 YEECJAJIQRDZRB-UHFFFAOYSA-N 427.530 1.655 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(N)=O)c1 1539337813 MPWRCWJPANRCLP-SFTDATJTSA-N 435.528 1.807 30 10 IDEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCS(=O)(=O)C1 1540062353 KQQUUIVPDTZKLG-KRWDZBQOSA-N 441.351 1.879 30 10 IDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1540074457 YUYRSLITOZUSOV-VQIMIIECSA-N 427.505 1.908 30 10 IDEE C=CC1(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CN(C(=O)OC(C)(C)C)C1 1540592954 CLZMIBOIEMZOFU-UHFFFAOYSA-N 441.536 1.825 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1541118967 JKPUQXVTVGQNSS-CJNGLKHVSA-N 429.456 1.580 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N(CCC#N)Cc2cccnc2)C1 1544094385 SGQMGLYKTPTHPI-KRWDZBQOSA-N 436.534 1.748 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CCOC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1545566553 LORMJZXGZKJSQH-RJCBAWPRSA-N 431.541 1.086 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1546577548 KPFYFPWPFLUDNH-FQEVSTJZSA-N 437.548 1.644 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)Cn2nc(C)cc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367834 QRNLFHHJBOFUCM-GOSISDBHSA-N 448.449 1.854 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1555206683 PKVCPIATGBFLLV-KRWDZBQOSA-N 438.532 1.975 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555781557 RPBYWFADAUUIPV-STGLLQLASA-N 443.895 1.745 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CC2)CCO1 1555993614 AFKVJSGFOJEFBF-HNNXBMFYSA-N 434.294 1.873 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(c2ncc(I)cn2)CC1)[C@@H]1CCCO1 1564605918 XSAOYXIVWCKYMW-KGLIPLIRSA-N 441.273 1.094 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1CN1CCNC1=O 1566972204 CHVBGHSDHTXEQM-AWEZNQCLSA-N 427.486 1.389 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1569675803 JURYREQQMCMEOY-MOPGFXCFSA-N 447.488 1.438 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)nn1C 1584808094 ZREPHRFSLXJURJ-SFHVURJKSA-N 445.277 1.768 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCS(=O)(=O)C1 1587661494 CLTMLWGSBFFNFR-KKSFZXQISA-N 427.530 1.289 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1588040579 OREUAPDZQUMGNP-KRWDZBQOSA-N 428.518 1.678 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588045776 QKZPSUBFMSUWSC-JBYIUTFZSA-N 444.557 1.420 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)C[C@@H](C)C1 1588083781 JUXLKGJURVPOFK-QRVBRYPASA-N 434.610 1.329 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589567179 BDAFLTYBDRGOCN-IEBWSBKVSA-N 441.598 1.561 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1595536691 FOYWQPGVDVHRKF-HOTGVXAUSA-N 440.504 1.198 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1595562395 XJJVVFRLPRRISN-UHFFFAOYSA-N 437.548 1.547 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595577359 QHLCWIAGWQZQSS-QZTJIDSGSA-N 441.488 1.890 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCNC(=O)C3CCC3)CC2)c1C#N 1612469458 AKDOKLRVGNHWHO-UHFFFAOYSA-N 425.541 1.133 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)s1 1616724122 NZSPWVCVBICJTL-INIZCTEOSA-N 431.543 1.973 30 10 IDEE CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1=O 1618172059 YPFVPUCHVNHBJC-ACTFIFLWSA-N 429.542 1.950 30 10 IDEE COC1CCN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1619506848 DKFQMACKSIXSMN-KKSFZXQISA-N 433.532 1.561 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1620357115 BBXFUXOVBACONR-OAQYLSRUSA-N 447.536 1.688 30 10 IDEE CNC(=O)NC[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1620498176 HESXSTOAZXFZLD-VQTJNVASSA-N 430.528 1.318 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1623669685 VBXABKPJYKTJJH-OAHLLOKOSA-N 431.543 1.203 30 10 IDEE CC(C)N(C)C(=O)C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1624441687 YQEGKALBCYBSCE-LJQANCHMSA-N 439.516 1.869 30 10 IDEE C#C[C@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1I 1625165459 NEXKJDADJNNZRA-RISCZKNCSA-N 444.269 1.967 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#Cc1ccccc1 1629163488 ATJIXEFYWUYGSZ-FQEVSTJZSA-N 428.510 1.884 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCSCC3)c2)c1 1631030614 NETWCKRKFDHPNG-UHFFFAOYSA-N 430.555 1.476 30 10 IDEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(N)=O 1634601105 JZPSALQRLFKJFS-LEWJYISDSA-N 437.496 1.822 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Cn2nc(Br)c(Br)n2)CC1 1635346330 PHPPRDIGVGQXBS-UHFFFAOYSA-N 435.076 1.108 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCC[C@H](n2nncc2I)C1 1643459081 RWODCACOXYZYEG-HNNXBMFYSA-N 436.253 1.704 30 10 IDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1644292105 RKWSUZFDDZSDLB-ROUUACIJSA-N 449.573 1.273 30 10 IDEE N#Cc1cc(Br)ccc1C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1647982192 DLURWFWYGFUCSZ-UHFFFAOYSA-N 428.294 1.928 30 10 IDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@@H]2C1 1648049681 XVTABDAUWQFAMQ-BWPNAZKDSA-N 445.541 1.663 30 10 IDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@H](CS(C)(=O)=O)C1 1660391557 DACBWNSNBIRLII-KGLIPLIRSA-N 425.576 1.961 30 10 IDEE COc1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1C(N)=O 1664772774 HKQCQOJHZHPSBC-UHFFFAOYSA-N 428.514 1.609 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1680910101 UFPGWEVROGIVDK-UHFFFAOYSA-N 428.518 1.381 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1689966596 WPRJMVMMAKVJOF-KRWDZBQOSA-N 426.546 1.998 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1690048128 DJYIPVHAAATQDT-QGZVFWFLSA-N 429.521 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690720557 MCPVZEHFKMEQJA-CQSZACIVSA-N 444.554 1.554 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CSc2ccccc21 1692799203 GIJFOBIOONQKLU-ZNMIVQPWSA-N 448.574 1.507 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1695065272 NIDOLMWKBHFKRP-OWSLCNJRSA-N 434.541 1.283 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CCO1 1697888145 ANDJOQAOQQEMFW-FXAWDEMLSA-N 426.521 1.389 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1705502007 QENDACGYADCXAI-JKSUJKDBSA-N 435.525 1.878 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1705570473 QCVGTNHCNWDRKD-IBGZPJMESA-N 431.562 1.706 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1705612150 AMHLPZNUPKSKBO-QUCCMNQESA-N 443.573 1.801 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@H](C)O)cc2)CC1 1705639205 ITYLLJSGYKAXOK-FXAWDEMLSA-N 443.573 1.037 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)N(C)C)CC1 1705771441 TWUQMAKUJHJPMG-UHFFFAOYSA-N 438.579 1.317 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1705907381 KOOQFKLHELCJQV-UHFFFAOYSA-N 446.943 1.394 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1706034226 ATICYWHRELTVQV-WMZHIEFXSA-N 437.548 1.236 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1706677035 WQYKIRVOBJXAFE-RPBSFSNWSA-N 430.509 1.445 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNc1ccccn1 1706880146 PHKUVEIYJVZYLQ-OXQOHEQNSA-N 446.581 1.916 30 10 IDEE CCOc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)N2CCOCC2)cc1OC 1710507833 FCFJZECEFKCDRI-MRXNPFEDSA-N 442.520 1.950 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)C1 1711339128 BANNMDCWIIOPNT-FQEVSTJZSA-N 439.564 1.747 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1Cc1ccc(C#N)o1 1712573933 GLOJUPTVIWWUOX-CPUCHLNUSA-N 430.465 1.450 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722333646 NIUCZZXYDRTEIC-CEWLAPEOSA-N 428.581 1.574 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722362573 UZFJIFKYGUYGMW-GOSISDBHSA-N 430.578 1.699 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722367105 VBMDBEJWZPVHJI-NHCUHLMSSA-N 427.574 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1722395095 PVBCCJVSNNODTE-HSZRJFAPSA-N 427.549 1.796 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1722396725 KDPNYILTBIPQAO-MRXNPFEDSA-N 431.587 1.905 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC(C)(C)C1 1722403509 UPPUVXXIVMWSCT-PMACEKPBSA-N 429.565 1.576 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722412128 VVRQQDFSMUTDPT-HZPDHXFCSA-N 439.582 1.801 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1 1722446565 DKOCOLUKQLCSIL-INIZCTEOSA-N 436.438 1.972 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCC2)CC1 1722447065 CREYIPFLLBQRBO-HXUWFJFHSA-N 428.581 1.624 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(Cl)ccn1 1722692072 WFIBIGWEFICKML-UHFFFAOYSA-N 440.895 1.912 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](CC)C1 1722693771 ZUAFXTMEYKCCCZ-MRXNPFEDSA-N 449.602 1.983 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722694950 MXHXQRLJZLOCPS-UHFFFAOYSA-N 436.520 1.651 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(CC)C(=O)C1 1722695451 CYWQKOAQFMOAGC-UHFFFAOYSA-N 446.939 1.968 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1722697992 AXCRORPEZFMEIZ-GFCCVEGCSA-N 429.506 1.431 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(C)(C)O)CCOC1 1723688822 FGIPDDRUXRJRHM-AVRDEDQJSA-N 432.569 1.656 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1723882633 DMZRDKDHBZNJDL-OAHLLOKOSA-N 428.522 1.368 30 10 IDEE CC1(C)CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1724019444 GKBBXCWQLYSLKX-ZPHPHTNESA-N 441.536 1.667 30 10 IDEE CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1726824301 CZESNOYHJQOEDQ-VZKMNXCRSA-N 441.532 1.974 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC[C@@H]1C 1730387404 LNRZJKCKQGUASJ-FXAWDEMLSA-N 438.532 1.927 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740589690 AFWMVRURYZTPKB-KRWDZBQOSA-N 445.593 1.735 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1740628211 WHDIOMRWAJJCQU-IKGGRYGDSA-N 438.619 1.940 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740639891 ZJHNUIHTNYYNJA-QZTJIDSGSA-N 438.532 1.578 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740930581 MESUOSTVQXYRFA-QGZVFWFLSA-N 444.561 1.706 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)C1 1740980800 MXQDDLHHJZDVBU-JMLKKNOCSA-N 444.623 1.509 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740991867 HANPDQLIERYZEE-UHFFFAOYSA-N 443.577 1.671 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1741005768 QOQGMXYEOPLALD-MRXNPFEDSA-N 448.618 1.710 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C)CC1 1747447427 DFMUATUQOILIFW-UHFFFAOYSA-N 430.534 1.824 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCOCC1 1748656044 KGDXBPIWKUPHBO-ROUUACIJSA-N 435.536 1.347 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1748790458 YSKQYTKNBOBEML-IERDGZPVSA-N 435.525 1.461 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748815788 UBOXBXXEQJAKOZ-ULQDDVLXSA-N 433.578 1.682 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748820383 AQXRYHTVLGWTHO-LJQANCHMSA-N 443.573 1.168 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C(C)C 1748831809 YVEHDCQOKAMXKR-UHFFFAOYSA-N 441.557 1.584 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@H]1C 1748876404 DRISNTUGWICHMY-JPYJTQIMSA-N 430.516 1.935 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C(C)C)CC1 1749304184 WSWHFLZJBNIVQC-LPHOPBHVSA-N 427.571 1.174 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1749650966 KQFYWERQNXLZJW-QGZVFWFLSA-N 431.585 1.273 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749655343 IKEANWWHDBFAKP-UHFFFAOYSA-N 445.955 1.111 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCOC2)C1 1749655350 IWZMVSLRQHQPFH-NRFANRHFSA-N 445.545 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(F)ccc2C1 1749731706 IRGTXRSAZVHXQH-QGZVFWFLSA-N 433.509 1.532 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccncc2)CC1=O 1749877942 BVTFRAKMXKWKIP-UHFFFAOYSA-N 431.500 1.749 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3cccnc3)n1CCOCCCO)C2 1750382611 WNAHEQORUXOLIR-UHFFFAOYSA-N 435.488 1.198 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COCC)cc1 1760176105 ZARHRNYMGFWJKT-LJQANCHMSA-N 447.561 1.265 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1760243711 QHPJMHDDYPVSDY-UHFFFAOYSA-N 438.532 1.350 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)N[C@@H](C)CC)CC1 1760258792 SDMAIQODDBDRAX-KRWDZBQOSA-N 438.532 1.734 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)C)nc2)CC1 1760260881 GDFJAEQUCGITQY-UHFFFAOYSA-N 437.548 1.386 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760521365 QQLXYUYZPNLMQF-ZWKOTPCHSA-N 440.504 1.118 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](C)(C(N)=O)C1 1760551742 QDYKWQDMVBSYJK-NRFANRHFSA-N 443.529 1.994 30 10 IDEE Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)s1 1762479884 DZFIHMVBPVZMSF-LBPRGKRZSA-N 438.583 1.421 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1Cc1ccc2c(c1)C(=O)NCC2 1769846756 FVRQMPSTZPFLBR-UHFFFAOYSA-N 445.527 1.965 30 10 IDEE COc1cc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc(OC)c1OC 1769858675 KDHJCORCRBAZKW-JKSUJKDBSA-N 429.477 1.932 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1770016770 KQCZQZXCAYBWFH-WBVHZDCISA-N 430.509 1.868 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1771241527 ROPYUCIELAJDGE-QHAWAJNXSA-N 441.532 1.988 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1772567423 VDINOFDSMCYUTE-HXUWFJFHSA-N 429.613 1.843 30 10 IDEE O=C(NCC#CCN1CCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1850297198 UQTAHSGNAFUTOT-GOSISDBHSA-N 427.929 1.848 30 10 IDEE CN1C(=O)C[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1cccs1 1851835795 AJBYHFQGFNXQKG-DYESRHJHSA-N 439.541 1.900 30 10 IDEE C=CCC1(S(=O)(=O)N2CCC(N[C@H]3CCN(c4nccn5c(C)nnc45)C3)CC2)CC1 1853489687 AYANKMMNQJVPPS-SFHVURJKSA-N 445.593 1.504 30 10 IDEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1 1853952990 NEZUMNMVYWFRPS-UHFFFAOYSA-N 427.482 1.559 30 10 IDEE N#CCCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1855507558 QJZSONPYQCFMSG-KRWDZBQOSA-N 438.937 1.468 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3O2)CCN1S(=O)(=O)c1ccccc1C#N 1855734834 YLRKECMZTHZKOQ-KBXCAEBGSA-N 425.466 1.310 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)CC1=O 1856005379 WBLGUOZVSNJADQ-CABCVRRESA-N 439.500 1.616 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C3CC3)CC2=O)[C@H]1c1ccc(C#N)cc1 1856674244 IQJWYBVPXWGGAO-RTWAWAEBSA-N 426.542 1.785 30 10 IDEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868595898 GBCPCGOPIGVXJA-UHFFFAOYSA-N 448.589 1.332 30 10 IDEE C=CCOc1cn(CCCn2ccnc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870814059 TUIBUDQPVQJKPB-UHFFFAOYSA-N 443.529 1.959 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1910220387 LQSSFVHBXAPELI-YCRPNKLZSA-N 443.541 1.306 30 10 IDEE CC(C)(C#CC(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1993920946 JZJMGXKPZKPPPN-GJZGRUSLSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2010124701 YQZLKIHBWJNCLP-XHSDSOJGSA-N 440.541 1.918 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H](O)C1 2010507688 KKPRCMASBQGQHO-ZCNNSNEGSA-N 428.533 1.841 30 10 IDEE C[C@@H](COCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2060632515 BVXXNTHKWKMXQQ-ZDUSSCGKSA-N 436.318 1.644 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2065459134 XGPKQUPNTHTADV-UHFFFAOYSA-N 432.326 1.896 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2243390268 RVDAIJGGDKJMLI-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)s1 2247811532 JNVJHCRQDAZEQP-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405895 ULIHORXZXRJJTI-LBPRGKRZSA-N 436.343 1.763 30 10 IDEE C[C@H]1C[C@]1(CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416490 SVOYKZZLTZFDGH-JEOXALJRSA-N 438.359 1.749 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H](C)OC2(CN(C(=O)OC(C)(C)C)C2)C1 2250825943 HWUJZHNBVUAQPS-LBPRGKRZSA-N 425.345 1.935 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2255597558 KBMAJMIXBOFPGU-LISAXSMJSA-N 434.342 1.601 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255644212 GTERKVDOFXCBDK-ZSEKCTLFSA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255647266 WDFGMCMIYUOMSI-HNNXBMFYSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255697902 DXWFHSDVLDZGQC-UHFFFAOYSA-N 435.330 1.652 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)n1 2255819673 DSPGLVNUAHBMPG-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255821849 HIMQSVYXZOEOOK-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2255852764 IKFBRUQGKFPWNT-ZSDSOXJFSA-N 440.346 1.583 30 10 IDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267360942 YNISOWILGUDBGU-UZKFNYRNSA-N 427.806 1.746 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2267495332 LEALVLBBIKXOBQ-IMJJTQAJSA-N 448.325 1.943 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2269717596 KOXKVOUNEBDSTJ-CVEARBPZSA-N 447.341 1.399 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](CCO)C(F)F)cc2Cl)OC1(C)C 2282316942 KAHVWZRLLLTSAI-VIFPVBQESA-N 431.719 1.995 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(F)c(F)c1C#CCCO 2283276995 GMKMLXIZWWPEJG-UHFFFAOYSA-N 434.420 1.737 30 10 IDEE COc1cccc(C#N)c1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286033571 VAXMKFNXIHWLFZ-OAHLLOKOSA-N 433.442 1.688 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1NC(=O)OC(C)(C)C 2315530935 BZLPIMNEXMZHOZ-KGLIPLIRSA-N 434.346 1.705 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20806390 XYDBCBBWLWNKPE-SSDVNMTOSA-N 427.490 1.561 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)CC1 23265286 XLHVRDGDVNKARR-UHFFFAOYSA-N 437.447 1.766 30 10 IDEE CC(C)(C)c1ccnc2nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn12 23424621 ISKKEWIQFWCEGF-UHFFFAOYSA-N 425.518 1.804 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)n2c(N)nnc2SCC#N)cc1 40173326 PKWNYEXYAVXSRZ-GFCCVEGCSA-N 437.551 1.706 30 10 IDEE COc1cc(-c2cc(C(=O)NCC#Cc3ccc(C(N)=O)cc3)[nH]n2)cc(OC)c1OC 96348168 ILGDWIYTNYLPNI-UHFFFAOYSA-N 434.452 1.983 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3cccc(F)c3)o2)c1=O 101350973 QDEZWDNKGZCEJV-UHFFFAOYSA-N 431.449 1.875 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 409814490 XRIAYUVHKWDTQF-FZMZJTMJSA-N 436.353 1.317 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C[C@@H]1CCCO1 440381586 MGXNSBRNCCRPCJ-INIZCTEOSA-N 445.541 1.036 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 502677441 GGYFEJXDNOAWSX-ADKAHSJRSA-N 435.550 1.757 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@H]1CCCO1 512720665 NHHCHZDADDKCLC-QGZVFWFLSA-N 428.558 1.814 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)s1 521765363 PLYSFGMTXNWJJL-UHFFFAOYSA-N 445.610 1.594 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC)c3cccc(S(N)(=O)=O)c3)cc2C1=O 552565890 KGPFNGLUONPACP-GOSISDBHSA-N 427.482 1.997 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 564807370 GZZLKAHWOLUTPM-JQVVWYNYSA-N 439.560 1.188 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)CC2(C#N)CCCC2)CC1 571248871 ZUCBRECJVUBYBG-UHFFFAOYSA-N 440.591 1.126 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NCC(=O)Nc2cc(-n3cnnn3)ccc2F)n1 583891799 KLDICAFQKXIXMM-UHFFFAOYSA-N 437.826 2.563 30 10 IDEE Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2)n1 585484763 GZDIGOILMBITLT-UHFFFAOYSA-N 435.513 2.306 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CCC)C(=O)N2CCc3sccc3C2)CC1 604190872 KEQSOPRWYYWRFW-GOSISDBHSA-N 447.605 1.431 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 655120005 OMFHRPTYLBUAES-KRWDZBQOSA-N 447.516 1.878 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 669806494 NCPHAQXHOOBESY-ZWKOTPCHSA-N 433.534 1.963 30 10 IDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cc([N+](=O)[O-])ccc3Cl)c2=O)cn1 726962226 QFECQIRMNZTQNT-UHFFFAOYSA-N 439.840 1.891 30 10 IDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2-c2ccccc2)CC1 727415507 SAOSMKVENQLXBR-UHFFFAOYSA-N 434.521 1.159 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CCN1C1CC1 732707131 UXTDWYMTCCRWBH-ZDUSSCGKSA-N 429.374 1.498 30 10 IDEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 733202337 QFPPOXMGMAAUGZ-SFHVURJKSA-N 432.546 1.727 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 736048025 UPYSJLPSKVMLIX-UHFFFAOYSA-N 446.529 1.953 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(C)cc(Br)c2)c1=O 772312724 WEQIKWDQAFHMQK-UHFFFAOYSA-N 444.354 1.643 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 780281297 SPVGJQMXCKRFAB-NRFANRHFSA-N 447.495 1.645 30 10 IDEE C#CCN=c1nc(N2CCC[C@@H](OC(F)F)C2)[nH]c(N2CCC[C@@H](OC(F)F)C2)n1 804606473 PEAPMWKHWOOSEC-CHWSQXEVSA-N 432.422 1.755 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CCCCCC#N)CC1 806506915 HXBSRHYIXZJGNR-UHFFFAOYSA-N 441.575 1.706 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 813795218 HFFQEALIHFFBDI-GOSISDBHSA-N 449.596 1.938 30 10 IDEE C[C@@H](OC(=O)c1cscc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 814611840 DGWRSWCUKKDFQF-CYBMUJFWSA-N 449.510 1.825 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 916775731 OEZQVMMSYAKYIL-IBGZPJMESA-N 447.538 1.748 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)Nc1ccc3c(c1)OCCO3)C2=O 916963606 UHXPVLVLHRGEHZ-WOWRSWPSSA-N 440.456 1.606 30 10 IDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 918754992 QGRIZZZCOZZZMU-HNNXBMFYSA-N 446.978 1.633 30 10 IDEE N#CCOc1cccc(CNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 1116512709 YAFISRLGDVXANB-UHFFFAOYSA-N 426.498 1.875 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 1130625853 FWXNXWXNROFXLT-UHFFFAOYSA-N 437.518 1.069 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1 1141871078 YONMQINMSKIOEM-UHFFFAOYSA-N 437.478 1.465 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC#N)C(F)(F)F 1156053947 XOWICKGOSGEGCS-OLZOCXBDSA-N 439.843 1.834 30 10 IDEE C#C[C@@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)[C@@H]1CCCO1 1226724973 PWSWUEKWJPIHSK-HBLJDGLJSA-N 435.521 1.655 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230799802 WQBHSHWTMGNNKV-UHFFFAOYSA-N 435.546 1.408 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCOCC1 1286282414 NMYHVCGHASTHHY-HNNXBMFYSA-N 427.505 1.702 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286356699 TWCALTYITNPOPQ-GOSISDBHSA-N 442.589 1.984 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)CC2CC2)CC1 1286474042 XYDRQKKPSIHKJZ-UHFFFAOYSA-N 443.573 1.534 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1286522167 IDIJPTVWSSZMSR-SIKLNZKXSA-N 443.573 1.960 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286780670 HHGMANKRPWUKRB-HZPDHXFCSA-N 426.587 1.202 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1286783754 KRTLCTPOAIDFJT-QAPCUYQASA-N 437.508 1.084 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1286787036 BCCUYLXCCCHGSN-IAGOWNOFSA-N 445.593 1.814 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1288145525 NXFDOHFYAYAWCF-QGZVFWFLSA-N 432.523 1.274 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC(C)(C)O1 1291225843 XQSQMCHCHYJOGW-MRXNPFEDSA-N 447.561 1.882 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1291303632 XTPMUGXGDVBWGA-HDRCJFCASA-N 443.895 1.745 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1294887268 GKNPIPXGDACBHW-HSZRJFAPSA-N 437.548 1.644 30 10 IDEE N#CCc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1299897384 FCXNTLFERTYEBD-MJGOQNOKSA-N 433.917 1.846 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1300272522 NGURCZDUUSIHKC-HUUCEWRRSA-N 442.549 1.284 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(OC)CCOC2)c1 1300332500 IDRRFXOUWPYVMA-HSZRJFAPSA-N 447.499 1.597 30 10 IDEE C#CCN(c1nnc(C)n1CCc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1300485867 ZXANDNDMFIQDRH-FQEVSTJZSA-N 445.589 1.396 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300495033 BWCWYLFIBGFFPQ-PMACEKPBSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1300496735 UMGAKWAGEVZYEB-QRVBRYPASA-N 435.594 1.141 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1300621658 OOLNRUZIEGCDJQ-NHCUHLMSSA-N 436.560 1.980 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(C)(=O)=O 1300663575 BDERJJHEHQPKCH-UHFFFAOYSA-N 428.518 1.261 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN2CC)CC1 1300723671 ZADZTNOLHKHMIF-VQTJNVASSA-N 428.581 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2COCCO2)CC1 1300729235 RMYWVYZMLLXAOE-OAQYLSRUSA-N 437.544 1.445 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1301474589 BQQBVQHVPKQKDF-DGGJZMOXSA-N 444.580 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCC)CC1 1301492001 UPOPDFJQPGREST-UHFFFAOYSA-N 445.955 1.159 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1302311247 KCJMPLIESLUFEP-MUGJNUQGSA-N 448.568 1.232 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)N(C)C)C[C@H]21 1302324066 OAQYIOVPBOJQQG-XUVXKRRUSA-N 438.532 1.926 30 10 IDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1306284941 YOBAKOKPTYQECL-YKHTYXQRSA-N 429.525 1.568 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)COCCNC(=O)c2ccccc2)c(=O)c1C#N 1306833345 CGWBKMLAPUIBHD-UHFFFAOYSA-N 447.289 1.616 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1309437255 RLBYCPUGUVFZBO-IBGZPJMESA-N 447.557 1.436 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@@H]1CCOC1 1314394102 VPVPVLCFQXVQFL-LJQANCHMSA-N 441.536 1.603 30 10 IDEE COC[C@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315805355 AKDZPDRDKUTOLT-OAHLLOKOSA-N 429.456 1.034 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C[C@@H]1C 1316129820 RVMSCWPAZSSGJN-GHTZIAJQSA-N 440.548 1.779 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1358956539 HGIXSDZIULYMSL-MKSNKDDYSA-N 426.514 1.087 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358961173 SMWCBTQEVUTJME-QZTJIDSGSA-N 432.594 1.641 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358962321 NUCSBOCOVGGNKJ-ZWKOTPCHSA-N 449.577 1.063 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1358969893 ZJQSBOIYTDSZII-LPHOPBHVSA-N 446.552 1.403 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1359005148 XHYCLSKHFZUCGW-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)[C@@H](C)CC)CC1 1359032909 IHMGZVISJZHEIY-IBGZPJMESA-N 448.579 1.406 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359035467 VCPNOEZLKGKESQ-RTWAWAEBSA-N 430.597 1.632 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1359092255 YPNWFYNGQSRJCA-BQFCYCMXSA-N 439.520 1.621 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)C1 1359321177 BNAWQAQYKOKMNF-RTBURBONSA-N 447.561 1.441 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC)c1ccc2ccccc2c1)c1cc[nH]n1 1446632436 NDSFRFCDLHZKOG-IBGZPJMESA-N 438.440 1.877 30 10 IDEE Cn1ccc(NC(=O)CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)n1 1448722877 WMSSCUSOSHOOFM-IBGZPJMESA-N 438.488 1.881 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C#N)C3)CC2=O)cc1 1455566123 CGLGFQKYCAKCGM-IRXDYDNUSA-N 432.546 1.832 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H](CCF)C3)nnc12 1457966505 GHGGOHNDYUYVFJ-CQSZACIVSA-N 431.493 1.909 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1495808018 DMQMYCLIUZZLBP-UFOSLELVSA-N 437.495 1.705 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)c1 1504124005 IACYHSPGLPIPJA-NHCUHLMSSA-N 430.484 1.471 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)C(C)C 1504973261 IXDMPKKGGDTSTN-INIZCTEOSA-N 443.552 1.877 30 10 IDEE COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1505051755 HARKWQLFEJUJHE-UHFFFAOYSA-N 433.534 1.752 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1505123367 GMPPPXRERQHZHA-IBGZPJMESA-N 426.546 1.702 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1507549886 AWQNOXGRRZMOGZ-MRXNPFEDSA-N 427.530 1.646 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1507558015 VDZISBNTPYEDFA-OAHLLOKOSA-N 436.582 1.187 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507632293 YMKPHWOAUPBFOV-NZSAHSFTSA-N 429.546 1.639 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1507710575 IEYWBXUIWNAPMC-MSOLQXFVSA-N 444.557 1.833 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1507712196 STUUWMHKMCWYPO-UHFFFAOYSA-N 425.468 1.305 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCCC1 1507713300 FBQUYWTZGANJKJ-UHFFFAOYSA-N 430.553 1.279 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507744316 KMCMMADJKCDRGX-UHFFFAOYSA-N 436.541 1.977 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCn1cncn1 1508000658 XYOQFFSHJFFWEM-UHFFFAOYSA-N 431.504 1.756 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1508072107 DXIWPDNGMAUVSL-LJQANCHMSA-N 425.537 1.052 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1508094431 NQFFDTXDUFEENM-INIZCTEOSA-N 436.557 1.953 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)C1 1508111551 ZUPCOMSAUWBJED-UKRRQHHQSA-N 438.554 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1508144690 WVNHHJUNZGJVMX-KRWDZBQOSA-N 447.565 1.076 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](OC)C2)nnc1[C@]1(OCC)CCOC1 1508149413 UNWYADQLFPTQNL-APWZRJJASA-N 428.555 1.146 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1508422192 DCNQZEXNHQCSQP-IAGOWNOFSA-N 432.550 1.746 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1Cc1nnn(C)n1 1509625791 DRQNOJSJUQPAIB-UHFFFAOYSA-N 432.492 1.153 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1517106173 OIWBGOOPUAJFRU-RCCFBDPRSA-N 448.524 1.650 30 10 IDEE COCCOCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519399545 JINOAOWLWJFGFB-LJQANCHMSA-N 441.536 1.428 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)cc2S1(=O)=O 1527779325 CABNLFLZBWXSGD-UHFFFAOYSA-N 442.497 1.976 30 10 IDEE N#Cc1c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cccc1OC(F)(F)F 1528153365 GXJSOAPJTJDHAB-SNVBAGLBSA-N 444.391 1.561 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)C1=O 1528789128 FRDYEEIPPUDGNH-LSDHHAIUSA-N 438.406 1.110 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C(C)C 1539001836 KNSPBNBGPKICOO-INIZCTEOSA-N 445.593 1.858 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1539065827 LCFFGUZEHOAJGV-SFHVURJKSA-N 434.500 1.765 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539202734 KNBIYLLIJGFRLO-QZTJIDSGSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539219434 JUBKOWGNYDMXIZ-LJQANCHMSA-N 443.573 1.330 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1539400963 NYAMCMWKIRLIHV-XXBNENTESA-N 442.564 1.864 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(CC)CCS(C)(=O)=O 1540866520 PUHCODIAMBRLRU-UHFFFAOYSA-N 443.932 1.911 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C)[C@H](OC)C1 1540867468 XCMGILLGISOVNH-HNAYVOBHSA-N 427.505 1.880 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1540871347 JOWPSHKLVXHTJY-QGZVFWFLSA-N 442.495 1.186 30 10 IDEE CC(C)N1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541627714 BIUOJJLUNWGUCS-VZCXRCSSSA-N 436.520 1.397 30 10 IDEE COc1ccc(COCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1554953575 RPPJZPAGRYIMGL-QZTJIDSGSA-N 426.477 1.183 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)NCCO)cc3)CC2=O)cc1Cl 1556055054 ACEHTROYSLIKQP-OAHLLOKOSA-N 426.860 1.925 30 10 IDEE Cn1ccnc1[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(F)c(F)c1 1565454511 GNINDJPIEZAZQM-CRFBAAHOSA-N 435.456 1.367 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1=O 1568184480 UOUHBMQUVIPMJF-YZGWKJHDSA-N 449.573 1.179 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(NS(N)(=O)=O)CC2)s1 1586983165 NGLKCJPDZKAPJZ-UHFFFAOYSA-N 425.001 1.623 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCN2CCCS2(=O)=O)c1 1587683663 MAMWBEDMAKAHEF-UHFFFAOYSA-N 444.561 1.493 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1587702569 ZDXDJCZDPXHAKL-NRFANRHFSA-N 442.545 1.744 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588003346 WBFLKASOZZEGAZ-SJLPKXTDSA-N 448.618 1.907 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1588030662 ZHDJYMKNDZBBEL-WHWKNOJMSA-N 428.518 1.518 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1c(CC)nn(C)c1OC 1589134778 PJKOJRCUPCLALY-JOCHJYFZSA-N 425.537 1.859 30 10 IDEE C=C(Br)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589459762 CZFRHFMQZQVSLQ-MRXNPFEDSA-N 449.371 1.462 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1589581458 SKBPOALVJQPTER-KSPYYYPUSA-N 447.580 1.967 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593654976 PWCYWOZEQPCMQW-UHFFFAOYSA-N 443.577 1.953 30 10 IDEE C=C(Cl)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1593931814 AFDXYKLGQTVISK-KRWDZBQOSA-N 433.962 1.201 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1594963849 YIDWLXCPBFJKJO-VFNWGFHPSA-N 434.541 1.687 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2nccs2)C1 1595830439 BUHHGUKJHRQMGK-CQSZACIVSA-N 427.552 1.450 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1596695652 FJMLNRGONGPGMA-HSZRJFAPSA-N 448.531 1.828 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1617728854 KWDJNRHXLOMEHU-LJQANCHMSA-N 426.546 1.702 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1618092550 HSFOUMPUZAQOKJ-NQIIRXRSSA-N 445.545 1.372 30 10 IDEE COC(=O)CCN1CCC[C@H](N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1620057824 XCRGPUVAEVVBSD-FQEVSTJZSA-N 436.516 1.624 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCCN1CCOCC1 1622563422 RNTHXZQFTMZMDQ-UHFFFAOYSA-N 429.583 1.373 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)C2)C1 1626346378 UYFDJHCANZVNQX-VJSAIMCRSA-N 432.565 1.831 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 1627229572 UNTMNJPZYMOENO-OAHLLOKOSA-N 436.511 1.116 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@@H](Cc3cccc(OC)c3)C2)s1 1631059453 ACPQJQXSJGQLAO-KRWDZBQOSA-N 449.598 1.807 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccc(CC)cc3)n2)CC1 1632960220 DOLLMWQGSGSHAE-UHFFFAOYSA-N 432.571 1.527 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1634284603 BHNVAMUWPUNYBL-UHFFFAOYSA-N 426.498 1.388 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1634831267 QLCDRYHFIHOLQR-JKSUJKDBSA-N 441.351 1.100 30 10 IDEE N#Cc1cc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)ccc1N1CCC(O)CC1 1636142295 LVVALXSUYIFQBF-IBGZPJMESA-N 433.468 1.599 30 10 IDEE C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1640653550 YQBRINIJUMBHMS-HXUWFJFHSA-N 427.567 1.969 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC)cc2)c1 1642821611 NMLZIGQLEBDQQA-UHFFFAOYSA-N 437.543 1.032 30 10 IDEE Cc1onc(CC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1C#N 1643335221 KJNROVLSLVEYQW-XKQJLSEDSA-N 445.476 1.438 30 10 IDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)C2CCN(C(=O)C(F)(F)F)CC2)C1=O 1652629560 OPBFOAIXBLDDSX-LJQANCHMSA-N 436.390 1.695 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1654037135 WRUAGZJYXSGNCG-CABCVRRESA-N 435.491 1.724 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1655060904 JHCVLUKLQZVPOL-FQEVSTJZSA-N 438.576 1.493 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1673203396 UWEUIEFMBNNPPF-UHFFFAOYSA-N 447.388 1.964 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)c(Cl)c1 1673572773 KGCVFMGPSMYZFW-UHFFFAOYSA-N 430.900 1.214 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2)nc1 1674952234 ZJCFFWKLRZUSKD-RTWAWAEBSA-N 435.532 1.835 30 10 IDEE C#CCCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1689906124 IQVQJKGQFISGEO-QFIPXVFZSA-N 425.537 1.850 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689986397 OUMIGVWFPFVPCE-JKSUJKDBSA-N 436.509 1.565 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC1CC1 1690003651 UBDOOFFIMNSJQB-UHFFFAOYSA-N 429.322 1.645 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1690032469 BXVDCYWGERPGFU-QZTJIDSGSA-N 441.557 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1690032471 BXVDCYWGERPGFU-ZWKOTPCHSA-N 441.557 1.918 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccco1)N(C)C 1690101389 YXTMHZHKTFOAFE-QGZVFWFLSA-N 440.504 1.988 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC(F)F)CC1 1690132847 YLJQFJPSIGJEOH-UHFFFAOYSA-N 446.502 1.610 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCO[C@H]2CCOC2)CC1 1690142366 MMCPUVPQSVHCDE-IBGZPJMESA-N 438.532 1.502 30 10 IDEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1690462200 AINHWPRGACKZMA-UHFFFAOYSA-N 430.553 1.409 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1690526659 BHKSSJQOCWMRQM-GOSISDBHSA-N 435.550 1.680 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1690620304 WWSZOXRCTBCHAI-OYHNWAKOSA-N 440.504 1.773 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1690648055 BVCKHDFNORQUCY-UHFFFAOYSA-N 429.569 1.111 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CSc2ccccc21 1692799201 GIJFOBIOONQKLU-RRFJBIMHSA-N 448.574 1.507 30 10 IDEE CCc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1694635600 NRHMDGSMOJDDGA-CXMJEVNXSA-N 442.545 1.741 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1696619254 WLZJEQGRXVSOGK-PMACEKPBSA-N 437.548 1.642 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)COC2)CC1 1698107346 OEHBTYNYHXKLJW-UHFFFAOYSA-N 438.532 1.832 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705567688 ZNMCZQJSNXKXDZ-BBWFWOEESA-N 430.534 1.177 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1705627701 NQIYCBARCJKOSN-FQEVSTJZSA-N 440.548 1.538 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSCC(F)(F)F)CC1 1705634677 FUFHXGGXXRWFDV-GOSISDBHSA-N 447.527 1.981 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C/C=C\CC)CC1 1705638448 LHYUXPDWDONNJH-WAYWQWQTSA-N 427.578 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCC=C)CC1 1705646199 AXCRAUUFKGEEII-UHFFFAOYSA-N 440.935 1.867 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(OC)CCOC2)CC1 1705648881 BJTFORABBOLOBP-QFIPXVFZSA-N 426.521 1.055 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705736772 CCEQEUFEXRSRAD-IBGZPJMESA-N 432.569 1.119 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705736846 DVEXSHRCMQEQSY-MBOZVWFJSA-N 440.566 1.157 30 10 IDEE C=CCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705893396 GXLRIOSLKXSYEB-HXUWFJFHSA-N 429.481 1.746 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@H]1CC 1705895163 WEQPTJZTVRXYLA-QGZVFWFLSA-N 439.520 1.164 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705937276 OTOIUAOUZWRVOM-IRXDYDNUSA-N 449.602 1.779 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@](C)(O)c1ccccc1 1706866793 ALURSBNSIJFBHM-KKSFZXQISA-N 446.577 1.926 30 10 IDEE COCCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1712590357 NWHFBZTVYYHBLZ-INIZCTEOSA-N 437.460 1.680 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1712711184 DPGUQSSESOHTEU-MSOLQXFVSA-N 430.534 1.514 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1722280133 IZCJYSMEVONTCH-KRWDZBQOSA-N 431.562 1.529 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369167 VNVDYOXZQKGDRM-QGZVFWFLSA-N 445.593 1.957 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1722369363 YFSGFCXUOUWLMD-WMZOPIPTSA-N 432.550 1.237 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722375046 JAAVVKLVIPBELX-QGZVFWFLSA-N 427.530 1.308 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722458504 LWFJCFGBIPRKAP-AEFFLSMTSA-N 446.621 1.973 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1722460940 ABLZPFULLKKKDF-UHFFFAOYSA-N 427.574 1.725 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCNC2=O)CC1 1722462956 QPZQIYULFWADJK-UHFFFAOYSA-N 425.562 1.624 30 10 IDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1722552530 RCNOUIARQWFRMQ-CQSZACIVSA-N 445.973 1.908 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722736154 UEBWCBCLSJFEMM-UHFFFAOYSA-N 443.577 1.834 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1726713285 VGHBFOMSTLJKQJ-BUNKOAGESA-N 437.504 1.404 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CC1 1726957535 NSQUEWOWHYEEKQ-CYBMUJFWSA-N 430.534 1.904 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1729163236 UTSQPEZCPQJJDR-SFHVURJKSA-N 433.534 1.779 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1729196117 RXDHTJQOQZWFCK-ZWKOTPCHSA-N 433.534 1.228 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1729793062 BZDNEUIAOAFHIO-UHFFFAOYSA-N 439.476 1.547 30 10 IDEE COCC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1730505704 RLOXZSKOZAORTG-BEFAXECRSA-N 442.561 1.927 30 10 IDEE COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1730635456 UOZVJZKQRPTLEK-XQQXVUDOSA-N 438.532 1.760 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1730992973 KWWWPCINEKHWSA-QGZVFWFLSA-N 434.453 1.872 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1740708742 AMTKIBFOATXLQC-INIZCTEOSA-N 442.655 1.565 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1740708743 AMTKIBFOATXLQC-MRXNPFEDSA-N 442.655 1.565 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(N(C)C)CCSC2)CC1 1740833424 PHQZYMNJFJWMBE-KXBFYZLASA-N 442.655 1.728 30 10 IDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740840133 WYCXGVNYSUFAPK-IBGZPJMESA-N 430.578 1.948 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1)C1CC1 1740910962 VEHWISKXIVJKHU-HNNXBMFYSA-N 431.509 1.811 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CCCC2)C1 1740969979 DIHAVJGGYJVUDF-INIZCTEOSA-N 439.582 1.555 30 10 IDEE Cc1ccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1742285464 CBHPEGVOGLPCEO-HKUYNNGSSA-N 445.545 1.687 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2NC(=O)CC2(C)C)c1 1748695135 YCXHDDNOKCESGX-SFHVURJKSA-N 438.532 1.786 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1748863849 JBJIGEDBDRZWSI-IRXDYDNUSA-N 429.546 1.453 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1748922610 FLHKXQXVPDUPKA-UHFFFAOYSA-N 447.543 1.958 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCOCC1 1748934667 DEXDGRLTCKJNKT-UHFFFAOYSA-N 430.578 1.840 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749234760 IXECSHJQIUSXRH-IBGZPJMESA-N 442.568 1.773 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccncc2)CC1 1749245302 FNPYLGFFRKDVAN-UHFFFAOYSA-N 431.500 1.749 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1749424256 FLTPAQRBCBEARJ-UHFFFAOYSA-N 437.548 1.927 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1 1749488451 LCNSXZAGKZDDDO-HNNXBMFYSA-N 440.595 1.495 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749721647 QCVKBCWJYRBRRF-CVEARBPZSA-N 425.555 1.022 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1749829892 AHEFWTVBPZEUHE-QGZVFWFLSA-N 446.577 1.919 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1750215679 BAKJPLCMAUVUGX-MOPGFXCFSA-N 437.529 1.633 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(F)c(F)c1 1751215793 AWTTXSNTPKEVDG-KPZWWZAWSA-N 442.467 1.851 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCN(C)C 1760112036 ZPECTHZCXOXTCK-QGZVFWFLSA-N 437.548 1.711 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1760121170 QZAXWXOCBAYRCD-MRXNPFEDSA-N 432.546 1.275 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1760180820 LOVQDPABMQENTO-INIZCTEOSA-N 434.518 1.287 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189204 GMLOJXCMWLRMEC-SXLOBPIMSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1760192478 JIKXUIWJXAOWDI-CEXWTWQISA-N 435.594 1.488 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760249023 UHEOVKVSYVTVOO-ZBFHGGJFSA-N 428.562 1.945 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@@](=O)CC)CC1 1760264646 VIZWJJFTUJYTJU-PMERELPUSA-N 426.546 1.253 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1760269325 FJANTEOFCJMFMH-VGOFRKELSA-N 443.573 1.717 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760351362 DUCFIXJUTAGICJ-UHFFFAOYSA-N 444.561 1.927 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760450829 UBSQNVHZKCTBAZ-IAGOWNOFSA-N 444.540 1.297 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCN1CCOC 1763497360 MCFOPFURUAPDJZ-WOJBJXKFSA-N 437.548 1.642 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1765588899 BYYVPAXFRZUGEY-SFHVURJKSA-N 437.548 1.941 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1768540307 PLILWMPSVXMLJP-RBUKOAKNSA-N 445.545 1.636 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccccn4)n3CCOCCCO)CC2)c1 1770740900 QEWLURZZGCZKPL-UHFFFAOYSA-N 448.531 1.256 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](COC)C2)CC1=O 1771126485 FOVUUPSRLCDRFW-RTBURBONSA-N 438.532 1.784 30 10 IDEE N#Cc1cc2c(cc1CC(=O)NCCS(=O)(=O)N1CCc3ccccc3C1)OCO2 1851511092 FEMQAFXWGPWOQE-UHFFFAOYSA-N 427.482 1.334 30 10 IDEE COc1cc(CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1OC 1852234650 HHPZCUSUEPAMEV-UHFFFAOYSA-N 440.500 1.887 30 10 IDEE C=CCN1C[C@@H](C(=O)Nc2ncc(C(=O)OC)cc2I)CC1=O 1852700101 AENPNPRJNMTDNP-JTQLQIEISA-N 429.214 1.446 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1854466624 NDBXJNJXIHEEOC-RTBURBONSA-N 435.521 1.780 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)c(C)cc1Cl 1855921921 HSGFHWGDSUKJHW-UHFFFAOYSA-N 432.889 1.897 30 10 IDEE COc1c(F)c(F)c(C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c(F)c1F 1855980846 MCQUNZZBPPBUPK-UHFFFAOYSA-N 437.371 1.168 30 10 IDEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc1O 1862558135 PWPAPIOBUSMFRU-LJQANCHMSA-N 425.441 1.697 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(C)c(C)c2)c(=O)cc1CN(CCO)CCO 1870751037 HVISDCNXERUXSJ-UHFFFAOYSA-N 429.517 1.455 30 10 IDEE N#Cc1ccc(CN2CCC(NC(=O)c3ccc4c(c3)C(=O)N(CC(=O)O)C4=O)CC2)cc1 1873724590 QLQOZCYSHFCAAT-UHFFFAOYSA-N 446.463 1.633 30 10 IDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCNC(C)=O)ncnc21 1875230766 NAMPDNDATKLKRB-UHFFFAOYSA-N 428.493 1.144 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 1891049605 QWZVANCKRXYJRL-UHFFFAOYSA-N 430.505 1.232 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010546772 MQXPBYBRMFGSDM-FQEVSTJZSA-N 427.549 1.679 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cccc(C#CCO)n1 2145936637 FUWCYSRTUHJZCQ-UHFFFAOYSA-N 427.482 1.634 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CO1 2243389709 KUBBSRBRIIVDNW-LLVKDONJSA-N 425.316 1.723 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(CO)CN(C(=O)OC(C)(C)C)C2)C1 2247538294 KWDIPGINVKGNML-UHFFFAOYSA-N 437.537 1.639 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248438766 HHVCFBODILQETJ-LBPRGKRZSA-N 441.359 1.334 30 10 IDEE CC(C)(C)OC(=O)N1CCC=C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248445552 NMQRUFFWQFOWSA-GFCCVEGCSA-N 436.343 1.763 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2255814721 CODIDQAJJLFSQE-KRWDZBQOSA-N 430.236 1.002 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c2)OC1(C)C 2255869802 GGFYIRVJJZONBO-UONOGXRCSA-N 425.216 1.368 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267182210 CRFLCGPQXVAAFU-RCDICMHDSA-N 446.357 1.706 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267476573 ZWLRIUMXRQRKDL-DEOSSOPVSA-N 437.349 1.748 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2267537789 RVNAMHCTAVEYEP-BFHYXJOUSA-N 447.345 1.242 30 10 IDEE COCCN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267588021 GCRRSLQFWITRHO-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268642763 HMCNVDZRSVHDGE-SFHVURJKSA-N 446.353 1.756 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCc3nnc(C(F)(F)F)o3)n2N)cc1 20914417 MVYRWMXJTXVJDK-CGOBSMCZSA-N 442.383 1.919 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccccc2F)n[nH]1 59888002 BFKRHVMQLCMUQP-AWQFTUOYSA-N 432.485 1.926 30 10 IDEE COc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(Br)c1OC 169884360 YQFQBCDEAXNNCJ-YBFXNURJSA-N 431.356 1.597 30 10 IDEE COc1cccc2c1CCN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CC2 427613517 SSQUOWIIUOFPSN-UHFFFAOYSA-N 430.468 1.773 30 10 IDEE CO[C@H](C)c1noc(CN2CCCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)n1 428357720 ARADUAVJGQYHDP-MRXNPFEDSA-N 428.493 1.945 30 10 IDEE CS(=O)(=O)CC[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 428868070 OMTNNXDQBGFCHR-ROUUACIJSA-N 438.619 1.746 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)c(C#N)cn1CCOC 429539228 JYCJOXSQFSHXPA-UHFFFAOYSA-N 449.508 1.284 30 10 IDEE CCOC(=O)[C@@](C)(NCC(=O)NCc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 430276523 CVZIDPGPRHRPBL-QFIPXVFZSA-N 443.525 1.646 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1CC 462428028 LUEXEMSTFMJVRZ-UHFFFAOYSA-N 439.537 1.690 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 465384385 XJWRFAHMZBMBJM-SFHVURJKSA-N 445.564 1.160 30 10 IDEE N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)s2)cc1 473654616 RBRYNNXSEWWZOC-CQSZACIVSA-N 432.531 1.807 30 10 IDEE COc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cccc1[N+](=O)[O-] 474206412 DWLCPWBIDADKPZ-UHFFFAOYSA-N 430.442 1.622 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@]3(CCO)CCOC3)nnc12 475823000 YUIJYVSZXKEFGH-NRFANRHFSA-N 443.529 1.228 30 10 IDEE C=CCOC[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 481799318 XGTYYDYHOQLYAA-CQSZACIVSA-N 439.262 1.296 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 501184281 XZTMEMPHXRVCOQ-QZTJIDSGSA-N 433.534 1.119 30 10 IDEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N(CC#N)CC(=O)OC 501438608 OCEMHLYIIPFOFM-UHFFFAOYSA-N 435.296 1.552 30 10 IDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccccc1F 503736129 PSRULSHPYHVGDT-UHFFFAOYSA-N 433.509 1.680 30 10 IDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@@H]2C1 508944865 HOYAZETUXGMZEA-KRWDZBQOSA-N 435.532 1.772 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCN2CCOCC2)c1=O 522674707 BCTLLCZJLWQYHV-UHFFFAOYSA-N 437.565 1.423 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)CC1 550055686 DRBTYGMICTWMTH-DLBZAZTESA-N 425.555 1.050 30 10 IDEE CNC(=O)CCOC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 553615271 HYRMWXLWPSKIGT-GOSISDBHSA-N 433.578 1.074 30 10 IDEE Cc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)c1 585484944 PGNXIDBFZUQXRS-UHFFFAOYSA-N 435.513 2.306 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccccc1C#N 604001356 BNTOMMYAHWBCSH-UHFFFAOYSA-N 444.516 1.345 30 10 IDEE N#Cc1cc(S(=O)(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 604021577 CNWFOQNPGLXFAA-HNNXBMFYSA-N 425.919 1.985 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 605409501 YLKPBFSFZLHSPE-UHFFFAOYSA-N 437.566 1.167 30 10 IDEE N#Cc1ccccc1N1CCCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 609920530 OJMAKGLEZTYAFU-UHFFFAOYSA-N 438.576 1.724 30 10 IDEE C=CCn1c(N2CCN(S(=O)(=O)N(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 669804348 REGZWHGFRBLQEP-UHFFFAOYSA-N 442.492 1.521 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669804664 WZELHDUDSFDFDV-UWJYYQICSA-N 440.596 1.705 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCN)n1 703978607 QSAPOYIAYXNQCS-UHFFFAOYSA-N 426.498 1.456 30 10 IDEE C#CCN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 729331452 NIQWAHOQLAACBC-GOSISDBHSA-N 444.582 1.945 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cscn2)cn1 730144864 SPHQOLMYARBROM-OAHLLOKOSA-N 435.579 1.559 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 732155752 DVFZKTJYXUYOOW-FRTIYWTKSA-N 437.283 1.989 30 10 IDEE C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)O1 732706624 LVJWAPQUINQHOZ-QKLQHJQFSA-N 425.533 1.433 30 10 IDEE Cn1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O 733679693 MIHRTBRSVSXNSV-SFHVURJKSA-N 442.497 1.521 30 10 IDEE COC(=O)CCc1c(C)nc2c(c1C)c(=O)n(CN1CCN(C3CC3)[C@H](C#N)C1)n2C 734244408 TWXDZVVTSNWOSN-QGZVFWFLSA-N 426.521 1.087 30 10 IDEE Cc1nc(=NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)n(-c2ccc(C#N)cc2)[nH]1 740688210 GIASMMIGGPPVGD-QFIPXVFZSA-N 429.440 1.275 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCCO3)c2=O)cn1 758121197 ZNIZVWUQDRRQFZ-KRWDZBQOSA-N 428.558 1.814 30 10 IDEE Cn1cc(/C=C\C(=O)Nc2cccc(C#Cc3cccc(C(=O)O)c3)c2)c(=O)n(C)c1=O 767097145 UVVJUUVICCENDQ-QXMHVHEDSA-N 429.432 1.834 30 10 IDEE CCn1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)c2ccccc21 769886277 LTGHYXGFBSEKJL-UHFFFAOYSA-N 436.537 1.798 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774036223 KYPLAIUWPXSYSN-INIZCTEOSA-N 425.532 1.124 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)c(F)c1)C2=O 786568325 FSBKDXNITNLHPK-CURUXHCOSA-N 432.427 1.791 30 10 IDEE COCCN(Cc1scnc1C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 787684494 NCSXBFOJAXGCKW-ZDUSSCGKSA-N 436.559 1.944 30 10 IDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cc(Br)nn1C 789967777 HXMNQFQIVRSUOJ-JTQLQIEISA-N 439.343 1.659 30 10 IDEE CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 793003897 GYFAZADGNQHXNB-ISLYRVAYSA-N 433.509 1.769 30 10 IDEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1CCOc1ccc(F)cc1 800489845 DIKVJEQBDXUWTR-ZZEZOPTASA-N 428.424 1.061 30 10 IDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1)c1ccc(Cl)cc1 810473473 CNYPPAUYGPOJIY-SFHVURJKSA-N 441.871 1.601 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Oc3cccc(OCC#N)c3)c2)CC1 1129661187 AKAIMRJYDGHTFO-UHFFFAOYSA-N 443.481 1.661 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)ccc1F 1130631057 IZNKNJWKXBKAGF-YEWWUXTCSA-N 442.509 1.767 30 10 IDEE C#CCN(C(=O)c1oc(S(N)(=O)=O)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1155366875 IQAFHFMFDXJNRG-UHFFFAOYSA-N 425.507 1.710 30 10 IDEE C#CC1(O)CN(C(=O)[C@H](Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)C1 1158398834 YYNMTSCZSCCWTM-GDBMZVCRSA-N 426.332 1.249 30 10 IDEE COCC#CC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1167638758 GQPIPAPHVPQGTE-KRWDZBQOSA-N 431.537 1.823 30 10 IDEE C=CC[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OCC 1189086503 BDBANUZMJQOCSE-QZTJIDSGSA-N 440.518 1.451 30 10 IDEE Cn1[nH]c(C2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)nc1=N 1193431746 BPRIEMJKXUBGEJ-UHFFFAOYSA-N 425.312 1.430 30 10 IDEE C#CCn1ccc(CN(CCOC)C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)n1 1205620701 GOWQFBPRNCYZPN-LJQANCHMSA-N 447.580 1.728 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)cc1 1220947476 HBPAQEHTLQIOEC-UHFFFAOYSA-N 427.530 1.509 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1251243759 BWSBCRSJXHERSC-QAPCUYQASA-N 438.506 1.564 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1286304882 YJDJRJAELHDYDL-OAHLLOKOSA-N 432.525 1.152 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(=O)N(C)C)c1 1286310098 BETYAEMGOGAJBI-UHFFFAOYSA-N 431.500 1.408 30 10 IDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286351030 OQCIDAVMDRMHBY-UHFFFAOYSA-N 440.523 1.996 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1286361120 LLMSJXNXWTUOKJ-KBPBESRZSA-N 428.559 1.261 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCNS(=O)(=O)CC 1286367093 FMNZZVNVFUIOQO-UHFFFAOYSA-N 444.330 1.855 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286376890 PQGRBDNRANKSET-QAPCUYQASA-N 431.518 1.142 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286387025 MSBVMFHAUJLNDK-JKSUJKDBSA-N 432.550 1.205 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286393490 DXEYMPLYHZQMSH-LJQANCHMSA-N 447.605 1.998 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1286410003 QIJXFCOSTOWNLT-OAQYLSRUSA-N 439.585 1.775 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCC(F)F 1286464279 YRACLGWWQUGALZ-UHFFFAOYSA-N 428.443 1.961 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286558934 SASRDESPYFOOGA-RYTRXMBJSA-N 430.597 1.811 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1286715125 CLDCTTBUQIBPHA-UHFFFAOYSA-N 446.939 1.766 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1287143772 ABURGNACRAQGPT-JXFKEZNVSA-N 433.534 1.484 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1288977047 IDQSRSWAOBFGBG-GNDBUYPCSA-N 432.488 1.997 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1295161274 CCVCQJAHCGCEIZ-CQGGRAHPSA-N 447.586 1.741 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1297653568 IXIOYAADSGTCIO-KKSFZXQISA-N 447.561 1.882 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1300449089 MMGOZVKDSOOKCT-XUTLUUPISA-N 436.472 1.558 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1 1300863188 KINHFLZNGVEWFC-LMMKCTJWSA-N 430.553 1.587 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCOC1 1300876659 UWRNSBQMJHXDKU-TWMKSMIVSA-N 427.571 1.342 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1301492139 YLBPZFYDJCTGJY-UHFFFAOYSA-N 431.504 1.627 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1301593944 YLHGWBBSVYTDOS-KRWDZBQOSA-N 447.561 1.468 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1302028059 LLUBZRIMZNMGKY-YJBOKZPZSA-N 443.545 1.801 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1307053661 JDJPDYJDDWEWEK-YESZJQIVSA-N 425.603 1.891 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1316341639 PTKGTLWNJZBMNR-GOSISDBHSA-N 444.561 1.733 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1316540014 SOEZTCBQURDTND-IBGZPJMESA-N 433.472 1.595 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCOC2)CCO1 1316540568 WSZLTACKHKXHMG-UGSOOPFHSA-N 434.294 1.588 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cc1 1350773087 CRAGBGYHCZAVRL-UTDQILSNSA-N 440.525 1.896 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)CC1(C#N)CCOCC1 1353688719 HAIWQKKBDHQQSM-UHFFFAOYSA-N 436.534 1.280 30 10 IDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1358906322 CZQMDMJALAEURK-QGZVFWFLSA-N 444.561 1.311 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1358930339 SWPUSINRLFWNBX-YESZJQIVSA-N 433.509 1.561 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358962069 JSHDZVZGLTVEFE-ZWKOTPCHSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccnc1 1358976164 SYIZUFNYIBMVRO-UHFFFAOYSA-N 433.541 1.949 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CCCC)CC1 1359035273 PPIXALJFYYZJPD-UXHICEINSA-N 427.597 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCn2cc(Br)cn2)CC1 1359045571 MFBZWAVCDGYOAM-UHFFFAOYSA-N 434.342 1.466 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359072399 BCQBXPHQCIZUJI-DHIUTWEWSA-N 442.585 1.995 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCCS(C)(=O)=O 1359089802 PFCIBJISNJWCEF-HZPDHXFCSA-N 427.571 1.268 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1359271655 AOVRHIASXGBEAY-QGZVFWFLSA-N 444.540 1.942 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2)CC1 1359300981 OCUFRVWLNMNGPI-LJQANCHMSA-N 443.573 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359330287 NHZNUJWMFDVDAK-MRXNPFEDSA-N 430.534 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359333578 CCLALHCRGVODGZ-UWJYYQICSA-N 447.561 1.249 30 10 IDEE N#Cc1c(CCCNC(=O)Cn2ncc(=O)c3ccccc32)nn(-c2ccccc2)c1N 1441141327 XYBNOAGDYRMALG-UHFFFAOYSA-N 427.468 1.785 30 10 IDEE Cn1cc(Br)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1=O 1447487798 SGYDTCUGHMFQOF-GXFFZTMASA-N 425.283 1.637 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)n1 1448863342 VFQYYNJNPFISDD-GCJKJVERSA-N 434.537 1.906 30 10 IDEE CN(CC(=O)N1CCC[C@](C#N)(c2ccccn2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1454673888 CFYYIUCGZAGKKW-HXUWFJFHSA-N 443.485 1.694 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCS(=O)(=O)CC1 1462105856 QKTTZSFCJPESAK-UHFFFAOYSA-N 447.557 1.744 30 10 IDEE COc1ccccc1C[C@@](C)(CO)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478567142 GWYKRTRETKJSMX-YKSBVNFPSA-N 436.512 1.961 30 10 IDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCO[C@H](c3ccc(C#N)cc3)C1)C2 1478605134 HCOXAOVVGJKSFD-ACRUOGEOSA-N 425.533 1.725 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H]3CC)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1502700667 QCYMKXHFFBDBFG-KZYMUQIBSA-N 444.536 1.835 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503440682 DBJCZNSLIGRTAK-HTXNQAPBSA-N 429.525 1.423 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1504995179 LXVDFCMPKSRQHN-IEBWSBKVSA-N 444.536 1.816 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1505039787 JDCVTPIRMWOITG-QGZVFWFLSA-N 426.521 1.927 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 1507590013 BGKMLRUPSGMNOK-FQEVSTJZSA-N 436.564 1.970 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1507758626 QWURUXDGNPDCAJ-WIYYLYMNSA-N 430.578 1.473 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCCS(C)(=O)=O)CC1 1507880823 KECBSBLODOAXEC-OAHLLOKOSA-N 433.600 1.260 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C(N)=O)c2)CC1 1507898499 YJCNZLRAHCVFAI-HNNXBMFYSA-N 446.577 1.632 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1507967913 OMPWRWXHOREIBE-GOSISDBHSA-N 448.593 1.890 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCC(NC(C)=O)CC1 1508096357 GFFWXHHEEZQDCV-NNZWXOEDSA-N 448.568 1.188 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508096493 AMZCYIJEGYFGEM-QFIPXVFZSA-N 432.569 1.153 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1508422944 FNKURXRCXJQHQN-FUHWJXTLSA-N 444.561 1.483 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cncn1 1508425991 DCBVJOJZEOJSJD-FQEVSTJZSA-N 448.579 1.530 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1516649019 BMEPVXWHHDOCTD-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE CN(Cc1ccsc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1517173504 LKIFEODGHBSPAF-RMYFCYLKSA-N 441.517 1.454 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccccc3)n1CC(=O)NCC(F)F)C2 1521082809 NYLBSCMQOVVDMI-UHFFFAOYSA-N 439.426 1.861 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)[C@@]2(C#N)CCCOC2)C(F)(F)F)CC1 1523876819 DERZWUHAOBLDTR-KBXCAEBGSA-N 434.459 1.907 30 10 IDEE CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2I)C1=O 1538266424 NKWAWKSBNDJFEA-HNNXBMFYSA-N 426.214 1.822 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539202057 FOBGIIWFGREWAU-KRWDZBQOSA-N 435.594 1.605 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1539226419 XMXRVFLWHGNMAT-IBGZPJMESA-N 437.525 1.645 30 10 IDEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539326740 ZKFJMVXHSDTSJJ-UHFFFAOYSA-N 434.544 1.593 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1OC 1539333949 QIZOHRRXVSZGNV-QZTJIDSGSA-N 441.557 1.784 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1539728890 LXCPMYALYLPVAT-KRWDZBQOSA-N 447.561 1.643 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539847175 AUFCNUCTKLOFSC-MRXNPFEDSA-N 442.607 1.694 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540033380 GVFXNEMMVLXHGS-HNNXBMFYSA-N 430.509 1.656 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N1CCSCC1 1540058047 PONVQKNVXBVYBM-UHFFFAOYSA-N 442.998 1.994 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1540859780 HMGOHHAITWJDEV-MOPGFXCFSA-N 443.596 1.403 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CN2CCOCC2)CC1 1540870314 JZTQIZYGLGAABH-LJQANCHMSA-N 432.569 1.371 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540897371 HSYOIOQBJOBUJR-KRWDZBQOSA-N 449.581 1.364 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccc(O)cc3O2)cc1 1544463328 VTFUXVWDHFOOSN-QTTZHIOCSA-N 431.470 1.984 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOCC(F)F)CCO1 1555995487 QGPSPPMYUIDJAT-ZDUSSCGKSA-N 440.476 1.670 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)[C@H]1CCC[C@@H]1C#N 1560060308 KFBYRNGLXDVXNC-KDOFPFPSSA-N 442.944 1.936 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)nn1 1561820082 VNJNERIMBLDSLS-UHFFFAOYSA-N 442.295 1.426 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CCO2 1565340683 NOSGXYSJUIOBNU-XAHBDIOTSA-N 428.493 1.069 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)s1 1570321342 OBWRKHVQWDVFRD-OAHLLOKOSA-N 425.576 1.758 30 10 IDEE N#Cc1cccc([C@@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C(F)(F)F)c1 1583134995 QEINKVNGHCGZSU-CZUORRHYSA-N 442.419 1.443 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1588185393 GBLJGHHIFSGTFN-HSZRJFAPSA-N 430.549 1.713 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1588233219 DJWZDBJRADPREN-LJQANCHMSA-N 433.578 1.654 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1588813689 ZJNKJCWKEDEPCC-LJQANCHMSA-N 440.523 1.415 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccn(C)n2)CC1 1588954167 BEBBEPYBFQWJLI-UHFFFAOYSA-N 432.532 1.206 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@H](C)CCC 1589216651 UIIOKPAAVCTOBB-LLGFUMIMSA-N 435.594 1.725 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1595302910 GZNFUGRAXKIJBK-QZTJIDSGSA-N 439.582 1.606 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@H]12 1596099636 UHKDXGOSLILQJJ-BPKGMFCQSA-N 426.521 1.935 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1611614487 YUBOHVSXQPTWHL-HNNXBMFYSA-N 429.458 1.238 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616949810 FAWHGOGRNHKWQF-RUNIHZNKSA-N 432.525 1.592 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCOCCS(C)(=O)=O 1617868300 ACGAOZBCRTWISC-UHFFFAOYSA-N 440.529 1.909 30 10 IDEE CN(Cc1ccccn1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1617950446 MVUZGYKZOHDZCE-QURGRASLSA-N 444.499 1.822 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cccnc1 1620020386 XDFPLSKQKPFGCB-XLIONFOSSA-N 425.537 1.816 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1 1628610854 DDXKJYKYALNSKM-HXUWFJFHSA-N 438.509 1.069 30 10 IDEE Cn1cc(C[C@H](CO)NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1630356503 KDUZGTVNSFANAD-QUCCMNQESA-N 439.516 1.846 30 10 IDEE Cc1cc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)ncc1C#N 1630603669 GQMPTCLVDKOCRI-UHFFFAOYSA-N 432.528 1.957 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC 1631305030 IBENVIVZVZOXFJ-HZSPNIEDSA-N 432.901 1.976 30 10 IDEE C[C@@H](CC(=O)Nc1cc2oc(=O)n(C)c2cc1F)/N=C1/NS(=O)(=O)c2ccccc21 1638734232 CRTOINQGDJLQTD-JTQLQIEISA-N 432.433 1.726 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cnc(I)c(O)c3)C2)nc1 1641702358 IRZLZBJVIZNELF-GFCCVEGCSA-N 436.209 1.952 30 10 IDEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1644252193 NNOHDOZKNKDBSZ-MSOLQXFVSA-N 434.562 1.121 30 10 IDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC12CN(C(=O)OC(C)(C)C)C2 1644662244 SCZMIVOTBZLDEC-QYWGDWMGSA-N 436.553 1.771 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)C2)nc1 1646095204 HIZHUMDTJBFLJP-OAHLLOKOSA-N 431.543 1.796 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1647908870 AKNTZYHGPHDEKQ-OLZOCXBDSA-N 441.916 1.217 30 10 IDEE CNC(=O)CCCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1649676966 DRLUCKCOIZUUIB-CZIZESTLSA-N 429.525 1.425 30 10 IDEE CNC(=O)CCCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1649676967 DRLUCKCOIZUUIB-ZZEZOPTASA-N 429.525 1.425 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](n2nncc2I)C1 1650912969 CECJIKGHDFCQQW-QWHCGFSZSA-N 431.278 1.517 30 10 IDEE C=CCC1(O)CN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1651764178 RXRGTTPIDLOLMU-INIZCTEOSA-N 435.546 1.219 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)c2cnn(C)c2I)cc1 1663403556 JKZJIQNDELAOMP-UHFFFAOYSA-N 431.255 1.515 30 10 IDEE COc1cc(NC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)c(F)cc1C#N 1671933210 AYBORPAQPLFBFT-UHFFFAOYSA-N 428.486 1.610 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1cccnc1N1CCOCC1 1689828253 MPQRMXJYFRJMAX-ROUUACIJSA-N 428.537 1.740 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1689988978 ZSWLAYIZEHLDLM-HXUWFJFHSA-N 427.574 1.892 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)Cc1ccccc1 1690022352 BNOYTQOJNUDUCC-UHFFFAOYSA-N 433.537 1.952 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690061078 QRNCHEBAWHVURS-FXAWDEMLSA-N 439.582 1.060 30 10 IDEE C=C(Cl)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690358973 PKCVAPRBOHFPCE-XAUMDUMWSA-N 425.961 1.840 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690506380 MEAXGDIMTVZUBU-NRFANRHFSA-N 442.524 1.086 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@@H]1C 1692764290 BYYXCFBHRGURPG-CKJXQJPGSA-N 446.577 1.947 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1696461741 LKZMUXUAEOLGAH-LPHOPBHVSA-N 447.561 1.882 30 10 IDEE COCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698196580 AGXXGKUWIDPGSZ-HEWTWTGNSA-N 432.525 1.344 30 10 IDEE CSCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698388827 GMTLATVEHQQEGC-MSOLQXFVSA-N 447.586 1.820 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1705477826 SIOPFLATYDVMJN-OLZOCXBDSA-N 427.477 1.996 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1705495507 QSJPLTTWPUCHTD-STQMWFEESA-N 437.488 1.657 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccc(-n3cncn3)nc2)c1 1705503940 IWCRJGDTSUCUTR-UHFFFAOYSA-N 427.472 1.667 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)C2CC2)c1 1705505587 QOFFEWKEBAENEP-QHCPKHFHSA-N 433.516 1.896 30 10 IDEE C#CCCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1705521764 LCFXBMQWWBESCZ-SIKLNZKXSA-N 428.537 1.836 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705535621 SLKRHJHJHOFREF-UHFFFAOYSA-N 438.576 1.938 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1705561843 WRMXPIZEAJEGKD-LPHOPBHVSA-N 443.573 1.826 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCSCC1 1705612574 JTKDLQYBNYTGAI-UHFFFAOYSA-N 440.621 1.960 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1705625904 BAVCRRBSGDQMEN-QFIPXVFZSA-N 448.571 1.985 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CC1 1705712538 XLLKQEZHMSHSDE-UHFFFAOYSA-N 442.549 1.900 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1705825501 VJGBBLDXYPVFJX-MRXNPFEDSA-N 437.508 1.988 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705889635 PFBWQTCFQQPMEQ-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705897626 QATUSNOFZABERY-OALUTQOASA-N 437.548 1.678 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccccn1 1705901687 TXVHNLLTKJBAJD-UHFFFAOYSA-N 430.472 1.928 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)C1 1706156135 AJPJZUMDPGEADB-GOSISDBHSA-N 439.520 1.860 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1712303382 GPHRKLIOXCLHEF-SIKLNZKXSA-N 427.505 1.741 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1722352377 ONGSPUQYUUIGOP-KBXCAEBGSA-N 442.463 1.700 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722372196 QXLJZFXRTWERND-GOSISDBHSA-N 447.605 1.506 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1N1CCOCC1 1722385393 HKKXITISJKCIGA-UHFFFAOYSA-N 446.555 1.667 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)C1 1722711849 XOGRHJOFEOTXMT-CHWSQXEVSA-N 445.496 1.310 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1722711969 KMDVPOZZBLBGKJ-MSOLQXFVSA-N 432.550 1.545 30 10 IDEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1722840307 DLABKDRDKIIJLC-UHFFFAOYSA-N 448.531 1.863 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCc2ccco2)cs1 1725346603 ZTWGTAMFYBYNPA-IBGZPJMESA-N 429.481 1.985 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1726742551 KOOIGYLLUZVNRU-VQIMIIECSA-N 443.577 1.429 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1729203556 FHBWVDVCSARSFC-YJBOKZPZSA-N 433.534 1.492 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729639622 SASVPNHVZBRFAK-TVNSMHFRSA-N 449.515 1.434 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)on1 1740539144 NHFQPSBJVODXEY-AWEZNQCLSA-N 428.518 1.998 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740598012 AQQNURWXNJDKDU-UHFFFAOYSA-N 426.496 1.608 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740618532 ITWUFHKEBRRUIK-SFHVURJKSA-N 431.562 1.959 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1740689717 HGMBOOMWZWZRKV-QGZVFWFLSA-N 430.578 1.437 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 1740753071 FGYOQBGJGJLFAV-VQIMIIECSA-N 445.545 1.266 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1740900099 MJHVCDROZIYKIY-HNNXBMFYSA-N 440.595 1.861 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740957270 HYCMYANLEZEEEF-UHFFFAOYSA-N 440.533 1.005 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCCCC2)C1 1740963759 WKHDAQOTBRKENJ-IBGZPJMESA-N 426.569 1.507 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)C1 1740979136 BMLYFJGYGYDNNG-ROUUACIJSA-N 434.566 1.557 30 10 IDEE C=CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1740999771 GSTUVOFFCDSFJW-UHFFFAOYSA-N 439.545 1.530 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCSC1(C)C 1741944087 KJYFIDRJSUGHOV-MJBXVCDLSA-N 428.584 1.149 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1747624216 UIPBLELNZIHDHF-MSOLQXFVSA-N 431.518 1.246 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCCC1(C)C 1747973153 FLVAXGNCFDCNKQ-NRFANRHFSA-N 446.577 1.743 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1748293334 HHAVIMUHBCPJBW-GOSISDBHSA-N 440.533 1.441 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1748752505 YEPNUTAKCIAYKP-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1748790271 HUVFLOKJCXLIQN-SJORKVTESA-N 431.537 1.915 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1748814256 BVHMKJZDQWSIJR-MRXNPFEDSA-N 433.509 1.785 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1c(C)noc1C 1748835948 OKNYVDFRLCBLAC-UHFFFAOYSA-N 427.472 1.841 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1748959474 URNPBNPOPGLENJ-ROUUACIJSA-N 427.553 1.709 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CO)CC1 1749032646 OJBTVRHTWANCEG-UHFFFAOYSA-N 448.618 1.813 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)C(=O)C1 1749133064 HEWPKLPQUIYJLK-UGKGYDQZSA-N 440.548 1.540 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1749292787 VUUJCIIDGPMREA-QHCPKHFHSA-N 446.596 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H]1CC 1749721320 HACYTEJCMYMGEC-SOUVJXGZSA-N 433.600 1.114 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCN(C)C2)CCOC1 1751020997 BYJUJGLWPRNDJK-FDFHNCONSA-N 432.569 1.515 30 10 IDEE C[C@H](O)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1751245589 CPDVGUOEGUXZRG-NJSLBKSFSA-N 436.513 1.432 30 10 IDEE Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751934263 ZTKYYMOWFIEVOR-CCEZHUSRSA-N 445.421 1.135 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1760173067 IVBVHQXXXCOPGB-LJQANCHMSA-N 435.575 1.133 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1760190214 YTOKSSBCSXAUNV-KKUMJFAQSA-N 448.574 1.116 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CCC)C(=O)OC(C)(C)C 1760203057 UTNTYNDADZDVRF-KRWDZBQOSA-N 428.537 1.949 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1760252535 RCYBTAUMUJCECN-UHFFFAOYSA-N 449.603 1.680 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCCSC)CC1 1760262493 ZLFOOUOXFHFKKM-GOSISDBHSA-N 439.651 1.859 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1760321644 ISNIMFAWFWXPNG-OTWHNJEPSA-N 437.610 1.692 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760524656 FCHWZIVBUAJXCW-IRXDYDNUSA-N 433.578 1.737 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760526726 RWVQDDAHXULZQS-JKSUJKDBSA-N 444.561 1.435 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccco2)C1 1760557690 UAQVRWHXVVIAIW-QGZVFWFLSA-N 449.533 1.172 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1760707322 MCDFNOPIYNYZCQ-ZIAGYGMSSA-N 434.522 1.171 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1768427338 FITAANKQPZRLQR-XGHQBKJUSA-N 433.532 1.167 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1CCCNS(C)(=O)=O 1768637625 HZONEHUGKYTYPD-UHFFFAOYSA-N 439.545 1.711 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1-n1cccn1 1770049663 FMRASISTDBZHCU-PKOBYXMFSA-N 437.504 1.965 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1771039389 BFTRXYLEWCDLFS-LJQANCHMSA-N 446.577 1.408 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](Cc1ccccc1)OC 1772564402 WKAYJUIFGSEQFZ-MOPGFXCFSA-N 449.577 1.491 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)CNS(=O)(=O)c3ccccc3F)CC2)CC1 1848706265 XRGCHXUTYULOHJ-UHFFFAOYSA-N 436.509 1.105 30 10 IDEE COCCn1nc([C@@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)n(C2CC2)c1=O 1848961851 QENYOMOKVUZEME-MRXNPFEDSA-N 431.518 1.466 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)CCO1 1851045680 KXKUPXPFXWIGES-ZBFHGGJFSA-N 442.335 1.743 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCO[C@@H](C#N)C2)c1 1851064970 MSRBCHPEFVUZTP-PMACEKPBSA-N 427.526 1.944 30 10 IDEE COc1ccc(-c2cnc3c(C#N)cnn3c2NC(=O)CN2CCN(C(C)=O)CC2)cc1 1852613242 BLBSZSKTAGBGMA-UHFFFAOYSA-N 433.472 1.379 30 10 IDEE Cn1nncc1CN(C(=O)c1ccc(C#N)cc1)C1CCN(c2nccn(C)c2=O)CC1 1853501706 KNANYNQMIWSSMQ-UHFFFAOYSA-N 432.488 1.092 30 10 IDEE CON(C)C(=O)C1CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1854401245 LMEJBTJUBCUMIV-SFHVURJKSA-N 432.908 1.879 30 10 IDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3=O)cc2)C1 1856069590 QXXAVKVUKVMKEB-IAGOWNOFSA-N 432.546 1.551 30 10 IDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C(=O)C2)C1 1856868893 WKEZRVXOXLDMBQ-GOSISDBHSA-N 437.537 1.311 30 10 IDEE COc1ccc(CCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870147304 IRDXSRRRQCDQCT-UHFFFAOYSA-N 430.424 1.945 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644231 QRSPXNNNILBSII-UHFFFAOYSA-N 447.503 1.995 30 10 IDEE C[C@H](C#CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)NC(=O)OC(C)(C)C 1902014982 UQWVXKHSLYTKRS-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2009980225 SIKAOLWBVFORTI-SZNDQCEHSA-N 439.509 1.874 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2064130624 PQXGUNNXIZZNMC-NEADZQPHSA-N 440.346 1.459 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254801020 PWCIVTZZSMRLHD-KGLIPLIRSA-N 437.321 1.984 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2255626546 HHFQDWMXZHTSQM-ZSOGYDGISA-N 432.330 1.552 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)n1 2255648233 ABMRVYPUEABXPD-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE C[C@@H](CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2255694250 MNPWPSYUVNOJKJ-ZDUSSCGKSA-N 437.350 1.538 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCCNC(=O)OC(C)(C)C 2255695423 DVENPNHWJRGNFN-UHFFFAOYSA-N 437.350 1.539 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063431 OVDHOFYQXPKKBK-ZIAGYGMSSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)nn2)C1 2256625846 CHTSFVSFFDAUIV-UHFFFAOYSA-N 431.302 1.435 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267008615 GUGRFADAWNKXKG-WCQYABFASA-N 444.263 1.391 30 10 IDEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267092498 WEDXLCFTZCBXKE-WZRBSPASSA-N 444.263 1.627 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267143511 IWQWWYQIJIFSAZ-GOSISDBHSA-N 439.369 1.255 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](O)C1 2267274589 CARKHAOYAPPDLQ-INIZCTEOSA-N 447.341 1.435 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267476574 ZWLRIUMXRQRKDL-XMMPIXPASA-N 437.349 1.748 30 10 IDEE C[C@H]1C[C@H](N(C)C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267553159 XWSKTNNRKQAHLL-WMZOPIPTSA-N 439.369 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267598480 AOFMSYMBISDZLB-BFHYXJOUSA-N 447.345 1.100 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)n1C 2315635850 OMQYADOSMVPZMC-UHFFFAOYSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2318494617 SDMPZBLHGNJAIE-YDHLFZDLSA-N 432.330 1.837 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)n1C 2337316810 IFEPQAWUDMSUNF-SOUVJXGZSA-N 446.357 1.765 30 10 IDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2367807817 XFNGMACQVVLXBJ-LJQANCHMSA-N 434.558 1.709 30 10 IDEE C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 13324912 JIEVJXRUYDZFTD-HIZUREORSA-N 448.468 1.945 30 10 IDEE CCn1c(N2CCCC2)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 39769244 CTNWAUTWNKSAAP-RIYZIHGNSA-N 432.527 1.934 30 10 IDEE COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NS(=O)(=O)c1ccc(OC)c(OC)c1 169906066 IHUUGDJYAZWHSD-VCHYOVAHSA-N 425.419 1.942 30 10 IDEE C[C@H](C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)n1cnc(C#N)n1 409723822 VOTSPFXFLYZZRW-LLVKDONJSA-N 440.323 1.842 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(S(=O)(=O)NC)cc3)cc2C1=O 410067285 UFTDZFIFNMVMAV-ZDUSSCGKSA-N 427.482 1.868 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)cc21 427886592 PUKGGNXXXKCOPP-UHFFFAOYSA-N 427.424 1.627 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)C1=O 437035391 JLSNKHGNPBZPBG-CQSZACIVSA-N 445.476 1.564 30 10 IDEE C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cn2)C[C@H](C)O1 443091592 FEPIYNVLRFYOSD-KBPBESRZSA-N 431.474 1.954 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 460798325 XDHCEMHBYBJAEA-IBGZPJMESA-N 442.564 1.554 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1C[C@H]1CCCO1 461150479 JKFXNIIBJUDFFX-IAGOWNOFSA-N 433.520 1.839 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1ccc(Br)cc1 474700118 ZVKLCTUUTHCRAE-KDOFPFPSSA-N 449.305 1.746 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 480922962 CEBQNNIIEZIQAC-UHFFFAOYSA-N 448.529 1.622 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccccc1C 482552278 FLKHUMQTVCDARK-UHFFFAOYSA-N 432.530 1.946 30 10 IDEE Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489692306 RMULRQPPMJARCV-UHFFFAOYSA-N 428.514 1.790 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2=O 504103283 JMEGNHPMVOYNSV-AWVSAENJSA-N 437.500 1.671 30 10 IDEE CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 510449419 IRESPUHSUTWBDT-UHFFFAOYSA-N 425.454 1.527 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513101212 FOVOVMBEVXKYJP-AHCXZYCDSA-N 441.419 1.840 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n(-c2ccccc2C)n1 534195256 INZHFIGQNDCBKF-KRWDZBQOSA-N 444.499 1.827 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 538390303 PSVYWXUAIQFERH-RTBURBONSA-N 442.589 1.881 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 582982335 SUBZXULFXBLPFX-JOCHJYFZSA-N 444.495 1.078 30 10 IDEE CN1CCN(C(=O)C(/C=C2\C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673646 MYHGKUKWMFMLQJ-WSUYWMSVSA-N 433.468 1.409 30 10 IDEE O=C(O)/C=C/C(=O)[C@H]1CNCC[C@H]1NC(=O)c1ccc(I)cc1 585833005 ZEZHPTYOGSSQMY-JQSFKPKSSA-N 428.226 1.209 30 10 IDEE CCN1CCN(C(=O)CC2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 611089225 MGRRHACVYIEBBL-UHFFFAOYSA-N 432.590 1.598 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 732427399 CZXORHOPIKKZMU-QZQOTICOSA-N 425.489 1.890 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCCC(=O)OC)c2=O)cn1 735068111 DJSMYEHDVKQKMV-UHFFFAOYSA-N 444.557 1.588 30 10 IDEE C[C@@H](c1ccccc1)S(=O)(=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 737348911 QKRVWTXTWZHSFD-KSSFIOAISA-N 440.481 1.970 30 10 IDEE CS(=O)(=O)N1CCN(CCNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 740045597 BEPJYLUABJLAGK-UHFFFAOYSA-N 447.586 1.663 30 10 IDEE COC(=O)[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(C#N)cc1 740177706 FIZCLIYTORYCOA-IBGZPJMESA-N 441.465 1.834 30 10 IDEE C=CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nc(C(=O)OCC)cs1 749128996 QZLUSORCQPPQSB-UHFFFAOYSA-N 434.499 1.578 30 10 IDEE COc1ccccc1CS(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 760354180 WHNVWJAMPLQQKM-UHFFFAOYSA-N 427.486 1.805 30 10 IDEE COCc1cncc(C(=O)OCCc2c(C(=O)OC)[nH]n(-c3ccc(C#N)cc3)c2=O)c1 765604652 ULCKJJHSHZNPEK-UHFFFAOYSA-N 436.424 1.765 30 10 IDEE Cn1nccc1CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 769332154 OHICTTOVHBZFPM-INIZCTEOSA-N 425.489 1.875 30 10 IDEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c1 772301163 BPMMCKZXUJEFMF-UHFFFAOYSA-N 431.315 1.096 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 784124671 KHSNHMZJUOECDE-GOSISDBHSA-N 434.537 1.783 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 784125534 JJEBENXIIWBPLA-IBGZPJMESA-N 430.574 1.953 30 10 IDEE C[C@H]1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@@H](C)N1C(=O)[C@@H](O)c1ccc(C#N)cc1 790028848 IWXKNPVQSARNHI-ZXJYCPGTSA-N 432.480 1.645 30 10 IDEE C#CCN(C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 792079848 YGTBUKAMWFBFJF-CQSZACIVSA-N 438.449 1.339 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNCc2ccc(N(C)CCC#N)cc2)CC3)CC1 792741478 YRNZTWZYSXKUTF-OAQYLSRUSA-N 449.603 1.973 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccccc3)c2=O)cn1 794597217 UYDDOWRFTLLJFK-GOSISDBHSA-N 434.521 1.190 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802581279 MEUWVQKZZJMDAP-QGZVFWFLSA-N 430.516 1.945 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccncc1 1083857862 LTCJQTGZMFXADY-UHFFFAOYSA-N 427.450 1.862 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1129531334 DMKSEEOLCTXAGO-WMZOPIPTSA-N 428.489 1.663 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(I)ccc2N)n1 1139833152 BTJDVGAXNTUBMJ-UHFFFAOYSA-N 438.269 1.992 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C)C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1154386186 BEHVAIBKULHYRQ-ZHRRBRCNSA-N 446.552 1.711 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C)cc1 1162311631 PPVRBIBPWWGOQL-QGZVFWFLSA-N 439.534 1.809 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)[C@@]1(O)CCOC1 1162990151 QYOYZFIFXLPVLI-HRAATJIYSA-N 437.562 1.434 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 1221588623 LVLXQFHSLVIENF-HNNXBMFYSA-N 428.967 1.672 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1286393705 MGTIMCRBFWFHGE-VQTJNVASSA-N 444.557 1.603 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)nc2)CC1 1286470466 ZTHZOVLHEHNDEP-UHFFFAOYSA-N 432.488 1.133 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCOC2)CC1 1286484189 FUMUTZYRCIYZIS-KRWDZBQOSA-N 428.562 1.451 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCOC)CC2)CC1 1286485252 GUOQNTLXZUKTMX-UHFFFAOYSA-N 430.553 1.199 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286487613 WVJFWDAHAHHCOZ-KRWDZBQOSA-N 435.594 1.509 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286488215 WUSUHKSTDMMFNK-MRXNPFEDSA-N 445.545 1.247 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286822488 DWQZCNVLAWAIOK-QGZVFWFLSA-N 447.561 1.433 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 1293108975 JUXWMBYQABBZBX-UHFFFAOYSA-N 445.585 1.500 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(C#N)CC1 1297769413 YKHXEKRQQASHSD-UHFFFAOYSA-N 448.597 1.599 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1300466676 ZSVGBKSQJZGXHI-IBGZPJMESA-N 445.545 1.054 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300506419 SJILOGPRPPWHLO-CRAIPNDOSA-N 433.534 1.663 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NCC)c1 1300527984 NHOULIZALZBXIW-UHFFFAOYSA-N 444.495 1.877 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1300663987 MGDCWFCCPLJOJT-HXUWFJFHSA-N 436.560 1.414 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1301477677 CVNSJJJSKFGKRB-FUHWJXTLSA-N 446.577 1.493 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C(=O)OC)CC1 1301514215 GOPMMCQNNIFGHL-UHFFFAOYSA-N 443.504 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301586880 KAFITLRWACOCIC-MJGOQNOKSA-N 430.578 1.538 30 10 IDEE CC(C)(C)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1/N=CC=CC1=O 1302048536 JPTMOUKGPRPBQN-GSLBTOGISA-N 428.537 1.699 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(F)cn1 1302091652 FWTHTHKTTZMHTL-HNAYVOBHSA-N 429.500 1.761 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)C1 1303557901 HENZCHHACFAIBK-KRWDZBQOSA-N 426.521 1.624 30 10 IDEE Cc1cc(C)n(CCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1304773556 RXQYITHBZMYUHA-DENIHFKCSA-N 443.552 1.951 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC[C@@H]1CNS(C)(=O)=O 1307977526 ZBEMZBHHHCUGCG-GJZGRUSLSA-N 426.564 1.269 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@H]2COCCO2)c1 1316528973 KWOXRABWZMTQSA-IBGZPJMESA-N 440.504 1.093 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1316531444 JJBAEGQZIQIGLJ-VQIMIIECSA-N 434.497 1.462 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1316532711 UJEMYFWXRSRSON-VBKZILBWSA-N 445.430 1.426 30 10 IDEE CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1353968054 GGFMFXGWRMNNDQ-ZDUSSCGKSA-N 426.926 1.399 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1358880680 QPGHYKAHAYFEEF-ORAYPTAESA-N 438.937 1.615 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1358927127 OAAUXJXBXUAAFR-MRXNPFEDSA-N 433.516 1.568 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1358930471 WEFXZLUECWULKD-OWCLPIDISA-N 445.536 1.752 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1358961006 QCMCGZCVNPMGHK-GOSISDBHSA-N 439.545 1.631 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1358965095 NPRDVRDSHAOFAG-HXUWFJFHSA-N 436.541 1.642 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1359018204 HWQARUHUALHMEG-AVRDEDQJSA-N 431.537 1.328 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359102065 VVTUWJHFNOBPTG-UTKZUKDTSA-N 443.552 1.879 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1359132545 ADYNQDADXBLXQB-GOSISDBHSA-N 448.593 1.890 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOCC2(CC2)C1 1359296281 DHCKJKPBRPKHFJ-UHFFFAOYSA-N 427.505 1.881 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)OC)cc1 1359308765 XZZQCRKLQOTHHM-QGZVFWFLSA-N 437.522 1.222 30 10 IDEE C[C@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1360835703 VULYLCAHYOHQLD-GUYCJALGSA-N 437.298 1.570 30 10 IDEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1451267895 DWQAOCQPGNMNPK-KRWDZBQOSA-N 442.516 1.789 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 1456272368 DCISYLIJJOWORD-PMACEKPBSA-N 440.544 1.803 30 10 IDEE CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1463689738 FBAZBELLIIDPGD-UHFFFAOYSA-N 443.547 1.696 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c(C(F)(F)F)c1 1464085847 ASURBXNTEZFOBL-UHFFFAOYSA-N 428.396 1.293 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1475676328 HCFCKPZDZSKSEH-UHFFFAOYSA-N 427.483 1.352 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1505271283 HDFISEWEONPYSN-VQIMIIECSA-N 444.561 1.713 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCOCCCO)CC2)nc1 1505319202 RUMWHEIKRWWSIE-GOSISDBHSA-N 427.509 1.122 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C1CC1 1507681059 QKMNSSLFHWQWQX-NRFANRHFSA-N 431.562 1.816 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508072714 ROKBXIORURMNIQ-GJZGRUSLSA-N 449.556 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)C)CC1 1508139878 FBUZJJMNMLYCPH-KRWDZBQOSA-N 439.582 1.425 30 10 IDEE CC(C)c1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508956941 AENWWPGNEJXOBQ-JLUOLNIDSA-N 427.553 1.993 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@H]1N1CCOCC1 1512420136 NBDUZJINUHEBKD-FXAWDEMLSA-N 437.548 1.452 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1521095965 UBDBJVBSJYTTSL-RTWAWAEBSA-N 435.532 1.782 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1525322317 VGPAFDISFYFERG-KRWDZBQOSA-N 442.582 1.990 30 10 IDEE N#C[C@]12CN(C(=O)Cc3cc4c(cc3Br)OCCO4)C[C@H]1CS(=O)(=O)C2 1538761314 WKOVJCVMZRDONU-YVEFUNNKSA-N 441.303 1.160 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1539017003 WYPBTTAXDJHILC-ZIFCJYIRSA-N 431.562 1.873 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1539370994 KNGRYWXGKKOZLV-OAQYLSRUSA-N 438.532 1.414 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[S@](=O)CC)CC1 1539441094 KRIPLIMZNQOKDD-SSEXGKCCSA-N 431.562 1.486 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1539480823 FHNSSJWMIVBGQZ-TZIWHRDSSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1539526047 IPQUKWMVPKNTRJ-UHFFFAOYSA-N 441.605 1.955 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1539557282 PLMNHUAUDPHYNR-DYESRHJHSA-N 429.546 1.228 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc[nH]n1 1539563432 TZPAQHHOOCCZMG-GOSISDBHSA-N 447.467 1.022 30 10 IDEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1540005263 GUCCUSWYVFYMOP-UHFFFAOYSA-N 432.569 1.340 30 10 IDEE CO[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)C(=O)OC(C)(C)C 1540832370 MMWBRWNWFWRGGE-KRWDZBQOSA-N 431.468 1.871 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1540870243 IAUUJXGCLPSRBH-SJORKVTESA-N 432.569 1.605 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)CC)CC1 1540902687 OJOQYRSTWNZGRH-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1541294918 BQSKSJIOEVPPSE-JOCHJYFZSA-N 435.536 1.679 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1541805943 ATSXINAAKPZLDQ-AWEZNQCLSA-N 431.522 1.850 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1 1544463701 BCCZAMLZGXBBAR-LJQANCHMSA-N 440.521 1.893 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1544932557 NVFRCPZDDNCRSC-UHFFFAOYSA-N 430.505 1.855 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)NCCCOC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367620 AEPJXZOWTUAULO-INIZCTEOSA-N 427.427 1.560 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1557770504 YYORYGOJVVYKDJ-ZDUSSCGKSA-N 436.424 1.198 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OCC 1561876293 PWXXTLHPYMNKLZ-KRWDZBQOSA-N 430.548 1.647 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]21 1564416703 ASNQEHZSZQRVJO-NCOADZHNSA-N 427.567 1.874 30 10 IDEE C#C[C@H](CC)NC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1564872244 UPPHDSOHOOLBFS-MRXNPFEDSA-N 442.379 1.962 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588045940 UHKXSRYITJIHSD-LZJOCLMNSA-N 431.562 1.764 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C(C)C 1588099690 WFVRWZWHGURISQ-JOCHJYFZSA-N 443.573 1.675 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588158106 OPRITFVFCKJIJU-QZTJIDSGSA-N 433.530 1.759 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1588223781 GMOROUXLPGRKDM-AWEZNQCLSA-N 431.422 1.744 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1588752731 UARJVYUOEKKTHE-DFXYEROKSA-N 437.610 1.233 30 10 IDEE C#CCSCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1589126016 VHBHIQMBZQAHPD-DENIHFKCSA-N 449.621 1.598 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1593746427 DXUXPMNNHAETSD-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1594961861 GIVDFCPSBGZLQQ-DLBZAZTESA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1595490135 NGZQXRIPJYTCNY-UHFFFAOYSA-N 449.515 1.992 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(O)c2)C1 1595744590 NFYTWUUFPAHZDM-KRWDZBQOSA-N 427.505 1.944 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(S(=O)(=O)CC)CC1 1595761010 WBODKMHRNQLLMM-HNNXBMFYSA-N 432.612 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595784127 CZTGAHKGVUEIAD-KRWDZBQOSA-N 446.577 1.634 30 10 IDEE CC(C)c1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1602927602 UXFUBBHPZBGQAI-ZPHPHTNESA-N 430.509 1.314 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)C1 1611243823 BVFZIIWTBAXVHN-GXFFZTMASA-N 428.898 1.627 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)C1 1612938960 UKXVVYSVHUEHAW-PVHMMBIOSA-N 441.536 1.628 30 10 IDEE CN(Cc1ccoc1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1617987296 VQUAMCZENDAWJT-HTXNQAPBSA-N 439.476 1.270 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1619990406 SHEYOMHVNAFWQR-KSSFIOAISA-N 429.518 1.269 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 1621647008 BNSPBDOVRFXAAB-UHFFFAOYSA-N 449.510 1.491 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 1626883175 YMRGBUBIVFGMEV-ZWKOTPCHSA-N 439.555 1.292 30 10 IDEE Cc1cc(I)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C 1627137032 RAXJOODHECOXJM-BLLLJJGKSA-N 444.294 1.918 30 10 IDEE C#C[C@@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 1627746103 JJKGPYJQHCPZMR-QGZVFWFLSA-N 444.557 1.399 30 10 IDEE C#Cc1cccc(CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)c1 1629924352 QQKJWBKNSKPGON-IBGZPJMESA-N 434.539 1.066 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)s1 1631660955 FNOIDFDXEGICIE-HNNXBMFYSA-N 449.554 1.685 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCNC(=O)[C@H]3CC)nnc12 1639082644 UAYMKZTVIXRNEY-OAHLLOKOSA-N 440.529 1.449 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)s1 1644919821 APLIILINELMHBE-BKEDOTJMSA-N 428.576 1.844 30 10 IDEE CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)cc2S1(=O)=O 1645084892 GDTVFBCZZLSMHG-INIZCTEOSA-N 439.497 1.834 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1650791867 HOESASQPPKINFX-RDTXWAMCSA-N 438.406 1.893 30 10 IDEE C#CCN(C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973811 XKVQFFJZZKZHMC-MRXNPFEDSA-N 442.578 1.830 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 1652792377 WIBUTKOKBBFVNC-UHFFFAOYSA-N 444.499 1.110 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 1668808195 RAXPAKKJHVWFNQ-UHFFFAOYSA-N 443.319 1.469 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC 1676108902 KCDBTXYKDVJPGL-UHFFFAOYSA-N 432.477 1.992 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(C)cc2)CC1 1681138315 TWCPMLRFXYYJST-MRXNPFEDSA-N 432.468 1.783 30 10 IDEE O=C1CN(CCNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCN1 1681276388 CBCPTWBPTPEJIJ-IUCAKERBSA-N 438.319 1.231 30 10 IDEE COC[C@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C1CCOCC1 1683970561 LBSDCRQZBGTXOC-FQEVSTJZSA-N 426.521 2.000 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1685681928 NUOXPTAAIKLLPY-UWJYYQICSA-N 436.564 1.937 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCOCC1 1689835420 MHRGXLQSIAMXPD-ZWKOTPCHSA-N 445.589 1.775 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689988747 VQXCJOBGBZGYMS-HUUCEWRRSA-N 437.591 1.142 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1689998355 KCRQVDHPUQWXDN-JKSUJKDBSA-N 435.937 1.853 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCOCC1 1690098803 VWRGLPITYWNTKU-UHFFFAOYSA-N 431.924 1.933 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(O)(CC)CC)CC1 1690411712 SGKJHPBALQUBLJ-QGZVFWFLSA-N 441.598 1.565 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1690508449 JMYMPJSPEMTMLM-IRXDYDNUSA-N 435.554 1.206 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690740315 QKJHTOSSTFQDGD-UHFFFAOYSA-N 437.595 1.420 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1696808153 BXPKHRJZWZDDKD-UHFFFAOYSA-N 448.618 1.736 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698494578 WXJATGHYVQFDIK-SJLPKXTDSA-N 435.463 1.552 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1705559743 AWUJGWQTCZEBMU-SFHVURJKSA-N 425.514 1.358 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705562671 HRULKPNDRPVXCV-FQEVSTJZSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705567089 TXHILVVNKLXOKD-QRVBRYPASA-N 437.610 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1705575781 XITFTEMSFSLHDW-UHFFFAOYSA-N 442.541 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)cn2)CC1 1705647688 IDDZJPGKKUFTOA-QGZVFWFLSA-N 426.496 1.720 30 10 IDEE C#CCSCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1705665610 YTYVOURVOCVGFC-OAQYLSRUSA-N 443.577 1.413 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)CC1 1710898573 GUFOLLCPDNQKCT-UHFFFAOYSA-N 445.593 1.534 30 10 IDEE CNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1711395451 AQEGLNOWIHDATA-UHFFFAOYSA-N 430.534 1.615 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1722324334 PNCSARNAXFSZIM-ROUUACIJSA-N 449.581 1.020 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(CC)S(C)(=O)=O 1722377890 IEYFBZFPCOFPRW-UHFFFAOYSA-N 443.529 1.418 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCN(C)C1 1722421165 GXFJKYNZMNKDCZ-QHCPKHFHSA-N 440.523 1.246 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1722445179 SXKLSWXAHBYBHR-BSRJHKFKSA-N 447.580 1.519 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCSCC1 1723940424 BZEDFQUKXVGSGZ-YJBOKZPZSA-N 441.627 1.067 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1730689660 MTDUPRIJKSVOHI-GOSISDBHSA-N 439.564 1.842 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCc2nccn2C1 1730763405 GQMXJRBXRPXOBT-IBGZPJMESA-N 437.552 1.965 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1730878870 XEIBODRJOUJRMG-NVXWUHKLSA-N 449.533 1.183 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1731181559 HZOWIQZOWFEZKZ-LJQANCHMSA-N 436.488 1.485 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1740554214 XKOAHUXHQDHVER-FXAWDEMLSA-N 438.557 1.931 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1740600707 QMHLXQKWFJIZPV-JOCHJYFZSA-N 427.505 1.525 30 10 IDEE C#CCN(c1nnc(C)n1CCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 1740617109 MCAXMGJMPRJFLD-OAHLLOKOSA-N 441.355 1.263 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1740643238 DFJLVZGJKHZRDX-DEOSSOPVSA-N 428.496 1.812 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1740671253 CBSOCOFDVBGHOS-OAHLLOKOSA-N 430.513 1.223 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1740684050 IYXYQLFCJZUCRH-QFIPXVFZSA-N 435.488 1.158 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1740693593 DOMIMCVIOCDSJV-UHFFFAOYSA-N 449.534 1.916 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1740704784 XRGODOVZUWPFQU-HOYKHHGWSA-N 437.544 1.759 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740843889 SGMSMVCFTDCBFF-AUUYWEPGSA-N 440.570 1.522 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740962554 HGKLEQNWWLGRFO-ZDUSSCGKSA-N 430.456 1.704 30 10 IDEE CC(C)N1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CC1 1741620309 HZUUEXKAVYCDET-UHFFFAOYSA-N 429.569 1.489 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1748319204 GNSUONRHCSSCEK-OYHNWAKOSA-N 425.489 1.746 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1748732322 YLSGEBGIGMNNGM-LNLFQRSKSA-N 434.610 1.755 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CS(C)(=O)=O)c1 1748798542 IXFKEISPBLPCAB-UHFFFAOYSA-N 426.546 1.802 30 10 IDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748805860 XEPXHFNUUWPHPF-RTBURBONSA-N 443.573 1.535 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1748825761 FBDRYDGSAXDTKX-HNNXBMFYSA-N 442.520 1.824 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCN(CCC)CC2)CC1 1748977747 BGDQHHTYLKWBOW-XMMPIXPASA-N 444.624 1.807 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1748989252 JJMBAWLHRICFTP-MOPGFXCFSA-N 448.637 1.056 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)CC)CC1 1748994103 AURYFFJMMQYQMN-UHFFFAOYSA-N 431.562 1.090 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(=O)Nc2ccc(F)cc2)CC1 1749019133 MGHVIYHVGDYOQN-UHFFFAOYSA-N 442.495 1.558 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC 1749067752 WITRCHHSTDSJCX-QFBILLFUSA-N 425.555 1.030 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1749362870 WQTUCAXOCILQPC-PWIZWCRZSA-N 428.512 1.958 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2ccccc2C1 1750006571 HQZKXPSWGFBGNP-RXVVDRJESA-N 440.548 1.789 30 10 IDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750652362 GLKWFXANABGEQQ-NQIIRXRSSA-N 445.545 1.401 30 10 IDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1752541220 SNCOTIRCPLSRTB-RADWXHQJSA-N 443.504 1.250 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1760211923 OMWSLJCCKHUYCB-XMMPIXPASA-N 443.592 1.892 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760248984 SMGHKOKGRZWLFL-LJQANCHMSA-N 448.531 1.561 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1760259316 KFVSZSDWEQLBPV-FGZHOGPDSA-N 444.624 1.674 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760262722 XUMMDPLCASMQEH-QGZVFWFLSA-N 431.537 1.198 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCOCC2(C)C)CC1 1760270373 POYVSPWLRXEMPR-UHFFFAOYSA-N 444.624 1.943 30 10 IDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760357413 CVGGMRLAGSCRCF-HXUWFJFHSA-N 431.512 1.942 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1760396534 FREMCLDGDQJDMO-NVXWUHKLSA-N 439.582 1.834 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1760432576 KDZSDZZRBVALRV-CQSZACIVSA-N 433.600 1.258 30 10 IDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760508648 CETOWEKIGAMUGO-UHFFFAOYSA-N 442.520 1.723 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760526218 IEVHTXWVWDKOFO-FDDCHVKYSA-N 441.532 1.852 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(C(N)=O)CCOCC1 1763101091 CPECDMITAWUNMS-UHFFFAOYSA-N 441.511 1.460 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766940850 FFVKGJDKVOJQRR-LJQANCHMSA-N 440.552 1.301 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1767733596 NVKOKOCTJRVONJ-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE COC1CCN(C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1769069218 FVEOVIDYTKUXER-UHFFFAOYSA-N 437.548 1.642 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)ON1C(=O)c2ccccc2C1=O 1772791264 QZQDHZKGNOKRFW-GFCCVEGCSA-N 446.437 1.269 30 10 IDEE C[C@@H]1COCCN1C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc(F)cc1F 1851173785 ZFRPBIDMZNOIOB-AUUYWEPGSA-N 449.479 1.973 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3O2)C(=O)C12CCCCC2 1854421670 UOUDXQDVLKEUOY-SFHVURJKSA-N 431.514 1.607 30 10 IDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1857217246 JFCNPVLOSGXUAB-QZTJIDSGSA-N 436.578 1.191 30 10 IDEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868742389 IVMMRRICKLHNAM-UHFFFAOYSA-N 435.546 1.904 30 10 IDEE C#CCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870561351 JQVRVELEGYAYHC-UHFFFAOYSA-N 431.496 1.726 30 10 IDEE CCOC(=O)c1sc(C2=C(N)N(CCCN3CCOCC3)CC2=O)nc1C(F)(F)F 1873528260 OHJJYHKMLBHAFT-UHFFFAOYSA-N 448.467 1.573 30 10 IDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226615 NHDDQPMGHJLJNM-UHFFFAOYSA-N 426.521 1.639 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(=O)n(C(C)C)n3)CC2)CC1 1889369923 KAKGQADHANRIFE-UHFFFAOYSA-N 443.592 1.475 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)CC1 1891231708 UJLDUQNJZWKMAY-UHFFFAOYSA-N 432.496 1.996 30 10 IDEE CN(C(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)C1CN(c2nccnc2C#N)C1 1891241587 XICNFSQITKAVET-ZDUSSCGKSA-N 437.529 1.168 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C[C@@]2(O)COCCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 1999431003 QQZSTIMKGMTZTP-KKSFZXQISA-N 440.541 1.430 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2136345982 XOLUQANKRRPFCY-ULQDDVLXSA-N 448.325 1.265 30 10 IDEE NCC#Cc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1F 2145992441 YUESDFYAFIAGBI-UHFFFAOYSA-N 429.473 1.954 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247833922 NRZPRSMRZYADDM-UHFFFAOYSA-N 441.359 1.713 30 10 IDEE C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247950361 ASBIYOPLWMLQDW-MRXNPFEDSA-N 432.351 1.953 30 10 IDEE CC(C)(C)OC(=O)NC1(C2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)CC1 2255626602 HYPFVXAWHILYDB-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255692635 CHTYQYIEKLKDFO-JOCHJYFZSA-N 434.342 1.991 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)OC(C)(C)C)C1 2255696072 OYCAMMBOLIXIRL-FQEVSTJZSA-N 435.334 1.244 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2255873163 IONWPNZMABWWJG-UHFFFAOYSA-N 435.330 1.348 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)n1 2267113231 QSQXUPYOXPLCDG-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE Cn1cc(C(=O)N2CC(C3CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267124170 IDMKLKBJAHOQKG-UHFFFAOYSA-N 446.357 1.658 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267131483 BQAGKZUFUIVSMB-GJZGRUSLSA-N 446.357 1.801 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267495045 XDIFCZBXAXDEDR-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)n1 2267543993 NRQOXKVFRRXYRS-ZDUSSCGKSA-N 449.361 1.490 30 10 IDEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)C(F)(F)F 2267546878 CNQVSHDZGKUTQJ-DGCLKSJQSA-N 442.247 1.305 30 10 IDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@H]2C2OCCO2)OC1(C)C 2267717569 GBUYKOUZLXZZEO-AWEZNQCLSA-N 429.369 1.963 30 10 IDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2272076359 JVTDWYUDOAWOSN-LPHOPBHVSA-N 426.491 1.099 30 10 IDEE CC(C)(C)OC(=O)N1CCN2CCOC[C@@]2(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2272557317 ZPTYJLHABAGNAR-JOCHJYFZSA-N 449.357 1.059 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2312855260 IKFBRUQGKFPWNT-LRAJWGHMSA-N 440.346 1.583 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535072 WPWBPMVTUIYXSJ-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)c(O)c1 2331276401 QRMNFTMNLBFWBJ-UHFFFAOYSA-N 431.474 1.762 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2334389764 BABHBQAPMLRVHV-IXDOHACOSA-N 448.325 1.265 30 10 IDEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 111047326 SOIQYYOMZNUWTH-QGZVFWFLSA-N 428.514 1.679 30 10 IDEE Cc1ccc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1S(=O)(=O)NCC#N 427995745 MATVIZADFHUWOA-LHKXOAKPSA-N 427.526 1.036 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 482260309 GNCIAPVNUVNZOI-RCCFBDPRSA-N 442.472 1.332 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 505386434 AYFQCSQLQMBGET-QGZVFWFLSA-N 427.549 1.800 30 10 IDEE Cc1ccc(NC(=O)[C@H](C)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 506028283 RPJMYMBQKUYKOF-KRWDZBQOSA-N 434.562 1.969 30 10 IDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 506042348 RMTQIVWVEMHFTH-UHFFFAOYSA-N 442.944 1.938 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 507085520 LSYLGNOOELRRRP-XLNZFTOWSA-N 440.544 1.963 30 10 IDEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508712397 HOBWTGKEYOTLOK-AWEZNQCLSA-N 431.294 1.041 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)CC1 510703378 QVBBNPNDYILPFG-UHFFFAOYSA-N 440.481 1.060 30 10 IDEE Cc1cc(N2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)n2ncnc2n1 527242610 SWOUETZEZQTQEJ-UHFFFAOYSA-N 435.492 1.166 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1CC(N)=O 532630200 CHBJWLLNDHDLKT-UHFFFAOYSA-N 444.516 1.329 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1C[C@H]1CCCO1 541285190 HUUAPMJWNNZQDK-QGZVFWFLSA-N 434.521 1.195 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 544881777 OUVBLJWKBXSALS-UHFFFAOYSA-N 433.921 1.771 30 10 IDEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 546890198 IZPHUVJLLWHGAL-FQEVSTJZSA-N 433.560 1.996 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCOC2)CC1 549673553 VECBGNQJERLRSX-FQEVSTJZSA-N 438.576 1.638 30 10 IDEE N#CCN1CCC(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CC1 589400097 FUMDOECICRNRKB-IYDISJPVSA-N 444.535 1.570 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@@H]1CCCO1 590915835 XCOCPKGCWPNUFK-LBPRGKRZSA-N 437.974 1.831 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C[C@@H]3CCCO3)c2=O)c1 603799030 RDUOUHWENYDEJI-IBGZPJMESA-N 449.532 1.810 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 603937379 ODGALPWMZOEFJZ-HNNXBMFYSA-N 433.515 1.578 30 10 IDEE CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn3ccccc23)c1=O 729669713 BUJZCGZYQYSUAN-UHFFFAOYSA-N 444.472 1.692 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730142254 QKBNNNGBJQTQIB-XJKSGUPXSA-N 437.541 1.350 30 10 IDEE CN(CCCNC(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)S(C)(=O)=O 732401104 CKYPKZWRVVMLFA-UHFFFAOYSA-N 446.485 1.300 30 10 IDEE N#C[C@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NCc1ccccc1 732495135 RDWBDZMBTJPBFN-CTNGQTDRSA-N 430.464 1.487 30 10 IDEE Cc1cc(F)ccc1N1CCC[C@H](OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O 735338750 WNAAFLAKVOYRHD-KRWDZBQOSA-N 445.472 1.911 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 742659319 GUPSLJSMCZMGAR-KGLIPLIRSA-N 436.534 1.629 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 743336416 GMNLDZCLOBKUJY-FQEVSTJZSA-N 442.560 1.406 30 10 IDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1Cl 743736778 PSBBRDFGFMVQKV-MRXNPFEDSA-N 442.969 1.994 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746748439 WFZIPPKHECRHND-KNQAVFIVSA-N 426.473 1.060 30 10 IDEE COc1ccc(COC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1C#N 746977454 RJKKDRRENNNRAF-UHFFFAOYSA-N 431.470 1.937 30 10 IDEE CCc1c(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754352075 XDKTYKOSAUOQKA-QGZVFWFLSA-N 436.424 1.137 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)N(CC#N)c1ccccc1 755191005 YUYHEKBTVMPTPR-QGZVFWFLSA-N 444.488 1.602 30 10 IDEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cnc(Cl)c1Br 759373285 AFRWTHVOIMPJNG-NSHDSACASA-N 426.702 1.943 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1)c1cc[nH]n1 772200863 NBGYRNCTNYHTCV-OAHLLOKOSA-N 431.468 1.738 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 778557923 WLKVDARWUMMTMZ-HXUWFJFHSA-N 437.500 1.933 30 10 IDEE COC(=O)CC1(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCC1 786411043 JBFLWBPYPRSBPN-UHFFFAOYSA-N 432.477 1.560 30 10 IDEE C[C@@H](CC(=O)N(C)C1CCN(c2cnccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 790215886 UTAYWTWYEYBPHM-HNNXBMFYSA-N 442.545 1.421 30 10 IDEE C[C@@H](C(=O)OCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)n1cnc(C#N)n1 798744353 SATQVYCWEANPSS-YOEHRIQHSA-N 430.896 1.861 30 10 IDEE C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC(=O)N1C 800527242 MWLAZPRCBKGSGT-CYNURGJPSA-N 435.550 1.974 30 10 IDEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807928967 KTOIEMZZQPXTFA-SFHVURJKSA-N 443.577 1.632 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 813560555 GJVSCBDETVCAQR-JKSUJKDBSA-N 433.578 1.437 30 10 IDEE COc1ccc(C)cc1N1C[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1=O 916179019 DKHBSPTWRHVRTJ-QGZVFWFLSA-N 427.482 1.874 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)[C@H]1CCS(=O)(=O)C1 918756404 SQCOJTPDLYPLBQ-HOTGVXAUSA-N 444.600 1.106 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](CNC(=O)OC(C)(C)C)CC[C@@H](C)[C@@H]2C)C1=O 1131802942 DQPGUAIWBFUWSL-ILXRZTDVSA-N 436.509 1.504 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCCNc1ncccc1C#N 1136423957 DOCQDMUWXSZVGL-UQOMUDLDSA-N 435.406 1.467 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCn2cc(Br)cn2)s1 1157252143 WQXYBIIZHGFKJZ-UHFFFAOYSA-N 433.353 1.530 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)s1 1163270868 GZWWWQKPULJCGQ-QEORTHHSSA-N 441.575 1.879 30 10 IDEE Cn1ncc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1I 1171843716 XNBXZUMUTJIUSU-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c2cc(Br)ccc12 1208449415 LDZGLMCPIUMFDV-LBPRGKRZSA-N 431.333 1.741 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1286440545 CTSNXILTTJJLEI-NRFANRHFSA-N 449.563 1.737 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1286467966 XWOYXTUQMUIIFR-VXKWHMMOSA-N 439.560 1.769 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2(O)CC2)CC1 1286474815 QGGVVVGSFQJICS-UHFFFAOYSA-N 446.349 1.996 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)C(C)(C)C)CC1 1286490605 ZCJHIQKHWDISKV-UHFFFAOYSA-N 446.577 1.452 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286509199 NTDCURXUDQEQPK-CVEARBPZSA-N 426.608 1.798 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1286517982 XOCUXOUWZZPSSV-JXXFODFXSA-N 434.566 1.776 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1286712325 WKEBEGQYIOREAO-QGZVFWFLSA-N 439.582 1.125 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1286791454 ZSTKFGIERQMCNH-UHFFFAOYSA-N 442.568 1.137 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H](C)C2)C1 1286811037 ZBFDJXQCRHVKNK-GBESFXJTSA-N 437.610 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)c1nccs1 1286819523 NDMKFDIEZZJMJO-KGLIPLIRSA-N 438.579 1.526 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCOCCCO 1291195467 RLAMQDOLPQMMSX-MRXNPFEDSA-N 426.525 1.321 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 1293291947 YCIODCJAOVQBPY-FXEOWJSASA-N 431.514 1.969 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1298096558 HBCYJDKQDVWUTK-OAQYLSRUSA-N 439.564 1.906 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1300304190 MOOCXJSCBXLIAJ-INIZCTEOSA-N 436.516 1.582 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300313545 KTTTZEJHWKWKGX-NLWGTHIKSA-N 442.589 1.926 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCN(C(=O)OC)CC2)CC1 1300683689 RKWMIERCJQGKED-GOSISDBHSA-N 448.568 1.236 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1300734216 UEZQCRBQWQOLSC-IRXDYDNUSA-N 440.639 1.319 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1300849344 ORVFHEGBMVXKEU-CQSZACIVSA-N 446.371 1.676 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 1300997322 UEYQEJUEUVNHSI-UHFFFAOYSA-N 446.596 1.542 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 1300999424 BKHLIJINBAGLKG-HNNXBMFYSA-N 432.550 1.564 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1301478648 NJVCCMKVCZYDDI-GOSISDBHSA-N 439.564 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1301586785 JKZMFBJZMBRHDK-KRWDZBQOSA-N 431.518 1.207 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1302000672 OSWWIUCXKZGEIC-HNNXBMFYSA-N 425.555 1.567 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1302955079 XPKVWGXHEFGPII-RBUKOAKNSA-N 425.537 1.610 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(O)cccc2OC(F)(F)F)n1 1309464580 IKSMSQKWIUSBOI-UHFFFAOYSA-N 433.408 1.958 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1314814088 PYQMCNWJBHDXTG-UAFUQJIBSA-N 437.504 1.263 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](n4cnc(C(N)=O)n4)C3)n2CC(F)(F)F)cc1 1316529868 HZJOKCOYPYVDDA-CQSZACIVSA-N 445.409 1.911 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2CC)C1 1321258655 RUQXXEMSTSYCHP-GOSISDBHSA-N 447.561 1.767 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCCCC(=O)C2=O)cc1 1358085035 VWADNYQNPUKCMI-NMWGTECJSA-N 448.545 1.800 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1358872682 XLLLLGSJVCZCCD-NXEZZACHSA-N 436.485 1.870 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1358889507 CNCTWBQKPJWPAM-HOTGVXAUSA-N 434.541 1.523 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCS(C)(=O)=O)c1 1358902032 CRWVFVSXMYPBJM-QGZVFWFLSA-N 445.545 1.273 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@H]1C 1358997119 FNFRWOWRFYCBRU-KKSFZXQISA-N 427.530 1.272 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359219483 RMKUMLDQDNJFCA-KRWDZBQOSA-N 438.598 1.475 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(Cn2cncn2)CC1 1359328930 SJOCPZKZQZXEQZ-UHFFFAOYSA-N 445.549 1.955 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359613850 LCWATITUTWVYLJ-CZIZESTLSA-N 443.552 1.623 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1360372533 MCMAAGMQSVBGBR-RWNPKEDZSA-N 444.536 1.702 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1440783347 LOLSWGIATXKGAV-FUHWJXTLSA-N 435.569 1.775 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1443821109 OTDICJLIBOBFBM-IRXDYDNUSA-N 430.977 1.545 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2cccc(F)n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1449999254 KYMKOJQHMIBUGH-AWEZNQCLSA-N 431.493 1.387 30 10 IDEE CC1=C(C)C(=O)N(CCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1469889119 KQBHUXQSJDVDHR-UHFFFAOYSA-N 432.484 1.692 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)C1 1471335063 BBTFYOJMBHLNJV-OAQYLSRUSA-N 426.561 1.969 30 10 IDEE CCc1nc(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)no1 1498378485 YCYYAPIRAXZWAT-VQTJNVASSA-N 433.488 1.949 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1501154212 DRBCEIJLLZGCCT-SFHVURJKSA-N 439.564 1.890 30 10 IDEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1501503044 JJZYKOOMMCADFP-ZPHPHTNESA-N 429.525 1.712 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1503414711 HMMBQCUJLPTAMD-GOSISDBHSA-N 425.518 1.416 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)C1 1503679922 MQYFIXREJVRCBC-IRZJEQJZSA-N 428.512 1.980 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1507660577 BACYSXDEQPTFPG-QFIPXVFZSA-N 448.589 1.751 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507665628 ZUWDULVOMOYNNS-GOSISDBHSA-N 441.557 1.698 30 10 IDEE C=C(Cl)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1507872275 CEPFSTMQVSIBCB-HXUWFJFHSA-N 449.943 1.808 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC 1507979057 YZEGYSXLYAWEPC-UHFFFAOYSA-N 426.568 1.295 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1508091641 WEUBDZTYOYHOLM-DLBZAZTESA-N 448.568 1.920 30 10 IDEE CC(C)NC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1508420859 DMGUGKQJZWJTKG-CQSZACIVSA-N 432.554 1.359 30 10 IDEE CC1(C)CCO[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1510327181 UZHDHWHZHMXMCK-SFHVURJKSA-N 444.561 1.713 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1516008053 SGJDKCKYXOKFEC-IBGZPJMESA-N 439.520 1.474 30 10 IDEE N#Cc1ccc(N2CC[C@H](C(=O)NCC(=O)NCC(=O)NCc3ccccc3)C2)c(F)c1 1534508545 OXVVIXJAAFQPPV-SFHVURJKSA-N 437.475 1.072 30 10 IDEE O=C(c1cn(C(F)(F)CO)nn1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 1538463700 NXGWOYCODAHHAC-UHFFFAOYSA-N 427.280 1.478 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1539085726 QXJITUSRKBVANQ-INIZCTEOSA-N 444.561 1.772 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1539324904 ZEHAEMOQEYVQLO-LJQANCHMSA-N 449.540 1.272 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCCC1 1539338499 VDLQDJRCVSEXRH-OALUTQOASA-N 448.589 1.822 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1539409357 YEGAXAYGEUTRBE-HNNXBMFYSA-N 449.533 1.059 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)CCC(C)C)CC1 1539476852 GAVGPMHYOUDVJU-HSZRJFAPSA-N 439.564 1.888 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539489099 GSHBHQKMALFLLU-INIZCTEOSA-N 434.566 1.595 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1539517114 IQOVUTATJHHPCW-JKSUJKDBSA-N 427.596 1.214 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1539578979 GTLUZXRQPGMUGC-CHWSQXEVSA-N 436.376 1.658 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1539616892 SJVWAQUZFBQDKE-UPJWGTAASA-N 425.477 1.868 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540019153 CGDPWXYZDSVECG-UHFFFAOYSA-N 445.568 1.445 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1540907942 NEJRQYNAOLQYHM-HXUWFJFHSA-N 427.534 1.561 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1540916653 DKQLJTKWRIYEDG-GJZGRUSLSA-N 427.596 1.191 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1541607978 FPSJPNVFYRDLLR-GOSISDBHSA-N 439.520 1.710 30 10 IDEE CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1541910675 AZHAFUBCCCUHIG-INIZCTEOSA-N 433.582 1.737 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1C(F)(F)C12CCC2 1541945423 GUWSNYMXULIYHL-RWMBFGLXSA-N 430.481 1.052 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 1544337673 XAEGZPZSTQHFDB-KRWDZBQOSA-N 436.306 1.605 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1546851496 FROUMECXLMBANU-VGSWGCGISA-N 426.521 1.982 30 10 IDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1547595997 HTSJCMSLYDWAJO-UHFFFAOYSA-N 446.577 1.694 30 10 IDEE CCN1CCN(CCCn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547736918 XHHJNIUAYSSDPM-IBGZPJMESA-N 444.609 1.390 30 10 IDEE CCO[C@]1(c2nnc(N3CCC=C(C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1547897656 AUCBLRBAWYDUFW-QIEZACGCSA-N 442.520 1.613 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)OC 1555247546 BRCODGHVBMHMSN-ICSRJNTNSA-N 426.521 1.783 30 10 IDEE Cc1ccc(C(=O)N2CCn3ncc(Br)c3C2)cc1S(=O)(=O)NCC#N 1557503546 MCCLNTXHZWPZMO-UHFFFAOYSA-N 438.307 1.412 30 10 IDEE CCc1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccccc1Cl 1558805045 CKYQUBHVEHHRFK-UHFFFAOYSA-N 425.836 1.314 30 10 IDEE Cc1nc2ccccn2c1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1565455611 DMVKXGDPDOOATF-UHFFFAOYSA-N 438.513 1.731 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3sccc3CC#N)CC2)cc1 1586835773 KKPGNVWSTRWKGO-UHFFFAOYSA-N 448.570 1.705 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOC(C)C 1587638219 CMXNXNYGEATODU-IRXDYDNUSA-N 427.571 1.274 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCOCC1 1587662362 NBRPJKHCLBXGMM-MRXNPFEDSA-N 430.578 1.838 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([C@@H]4CCC(=O)N4)cc3)CC2)cc1 1588157877 JGRKIQOKYVLLFF-FQEVSTJZSA-N 438.509 1.656 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCC2)CC1 1588930533 YOGWJILXGQYWLM-IEBWSBKVSA-N 445.589 1.502 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccco2)CC1 1588968067 GOWAAEGHKCJYBW-QGZVFWFLSA-N 440.504 1.118 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CC2)CC1 1594241607 WBGOTOAHHWKSDZ-PXNSSMCTSA-N 439.582 1.174 30 10 IDEE C=CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1594545993 WKBXDGWAAPXDHL-QUCCMNQESA-N 435.532 1.990 30 10 IDEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594720683 UBEBNKDHBFTZJB-UHFFFAOYSA-N 439.564 1.596 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1595302951 IKGVLKNYFJMCFR-INIZCTEOSA-N 448.549 1.358 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595523052 OIYJSEURBJCVNM-KRWDZBQOSA-N 427.553 1.275 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1595562315 UPQZQZQVPCPQAW-HDICACEKSA-N 430.597 1.858 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)OC)C2)cc1 1595613891 KGEKDBOGHBAEHW-WMZOPIPTSA-N 425.489 1.842 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C)C1CCN(C)CC1 1597349511 WPMJTGKISVZIMC-UHFFFAOYSA-N 434.606 1.395 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1597806558 NKRVYYUVSZPTHR-LJQANCHMSA-N 441.481 1.225 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)C[C@H]1CS(=O)(=O)C2 1611160745 WHBIHEHJKDVTBC-GUYCJALGSA-N 435.303 1.645 30 10 IDEE C=C(C)C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC 1612827519 OTRMIVMYFQZGBQ-MRXNPFEDSA-N 427.479 1.926 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)C1 1615972482 DWSURCYGUOWSIQ-RXVVDRJESA-N 444.561 1.496 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)CCO1 1618710041 OVZWDRVIVBQXML-GOSISDBHSA-N 428.493 1.107 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1618895136 ITMXISWLYKQGOK-ZWKOTPCHSA-N 426.477 1.245 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC(=O)N1 1619912768 LSFHFJDJMXURPG-QAPCUYQASA-N 426.477 1.436 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@@H]1C 1619938569 AUMHUNAPIPMJED-PXNSSMCTSA-N 426.521 1.389 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1619961452 REJOHSRKZPNZJA-UHFFFAOYSA-N 426.521 1.567 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1619995619 PECCSFKIUGOLLR-OSCRUYLVSA-N 444.536 1.909 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1620037358 LZKIRSZRHDSKLV-ROUUACIJSA-N 426.477 1.031 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1620070480 LHCHNOCYZBOWNF-JOCHJYFZSA-N 427.505 1.866 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)C[C@H]1CS(=O)(=O)C2 1620611589 YNSYPWRZNRYCBO-SGTLLEGYSA-N 438.481 1.897 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C 1626597439 GVLXLIONTFQQRF-HNNXBMFYSA-N 438.550 1.940 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1631043134 XGWFCLDDWZSIOH-HYVNUMGLSA-N 434.518 1.616 30 10 IDEE COc1ncc(Br)cc1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1633095801 OSYKFLXZOXMJQW-UHFFFAOYSA-N 438.303 1.956 30 10 IDEE COc1ccc(CNC(=O)/C=C/C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1633661905 AOJYAMRHHWUQPI-JBMMNVDBSA-N 428.489 1.743 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@H]2COC(=O)N2)CC1 1639743413 OEHKFKINXWBUIC-DLBZAZTESA-N 448.545 1.487 30 10 IDEE CCOC(=O)CC(=O)CSCC(=O)N1CCN([C@H](C#N)c2ccc(OC)cc2)CC1 1640957413 RZPWQXJSJATRPL-LJQANCHMSA-N 433.530 1.660 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 1642565406 LELMNOFXSHBUGU-UHFFFAOYSA-N 437.525 1.726 30 10 IDEE N#CC1(CC(=O)N2CCC[C@@H](n3nncc3I)C2)CCOCC1 1643458026 DEZWMGLNVBQDSS-GFCCVEGCSA-N 429.262 1.757 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1644912001 LQYNGQSFESVUDB-KSFYIVLOSA-N 427.505 1.628 30 10 IDEE Cn1ccnc1[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)CO 1646468253 ADRHILUENKOJKO-APWZRJJASA-N 430.578 1.540 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](c2cn(C)nn2)C1 1647868802 ROPUZUKDMIFRDS-WBVHZDCISA-N 444.561 1.675 30 10 IDEE N#CCc1cccc2c1CCN(CC(=O)NCc1ccc(C(=O)N3CCOCC3)cc1)C2 1647927540 ZRJFLIWDZSZHNS-UHFFFAOYSA-N 432.524 1.900 30 10 IDEE O=C(CCNS(=O)(=O)c1ccccc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649036153 ZVHQXURBXJNHDG-UHFFFAOYSA-N 431.470 1.259 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1649621641 CZMIEQDKYFUTPG-UHFFFAOYSA-N 435.536 1.787 30 10 IDEE C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)Cc1ccccc1 1658572109 PGKBAWYKDQJCRE-UHFFFAOYSA-N 430.508 1.979 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2C(=O)OC)CC1 1663573949 GVRNJRNWFZFHPU-UHFFFAOYSA-N 443.319 1.386 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1679944341 LIVMAGJYTAWCFC-LSDHHAIUSA-N 433.513 1.652 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)CC2)cc1 1680541982 WMKPNZLTAIXDOA-UHFFFAOYSA-N 449.483 1.647 30 10 IDEE Cn1cc(Br)c(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1681433541 HIKJYINFIWVBKF-MFKMUULPSA-N 427.303 1.741 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1689985974 GKIITWDEEIAPCL-KRWDZBQOSA-N 442.520 1.687 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689986579 SRENVEIWGWIXKY-OALUTQOASA-N 444.605 1.642 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1690091100 JEDJTLTZPHPDNH-LJQANCHMSA-N 441.507 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCC2CC2)CC1 1690140154 OATNUAYSUAGLIY-UHFFFAOYSA-N 438.507 1.576 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2CCN(C3CC3)CC2)CC1 1690154377 MPTMGONSASJIPV-UHFFFAOYSA-N 428.581 1.655 30 10 IDEE CC(C)N(CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)C 1692484287 GKMYRWNVGHEZIC-MRXNPFEDSA-N 429.525 1.853 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)S1 1693782885 FOWACSPEESEYLG-QEEYODRMSA-N 447.586 1.697 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695912656 CGSPNYDPLMTGIQ-UHFFFAOYSA-N 449.519 1.376 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1696469620 WHYWXSVOUFJNBM-AWEZNQCLSA-N 434.522 1.173 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC(C)C)N(C)C)CCO1 1696961851 DYEFMSFWQFOEIT-VQTJNVASSA-N 439.564 1.744 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1705605475 LYKMKYKOWXGAJC-WUKBZCGHSA-N 442.520 1.305 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1705629110 XLEREASOEHEIJV-GOSISDBHSA-N 432.546 1.632 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1705665800 DWGZLZZVMWYLAB-SFHVURJKSA-N 431.537 1.883 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705666590 BYICTLWBNRNHPO-YVSFHVDLSA-N 435.550 1.303 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1706075776 SIOHDJCPUGBCGB-PKOBYXMFSA-N 440.552 1.853 30 10 IDEE CC(C)(C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706118164 JKCCLKOWQUNDFJ-ANUWBXLYSA-N 443.508 1.133 30 10 IDEE COCCN(C)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1712410550 ORTUIDDGTRGOQU-ZZEZOPTASA-N 426.477 1.563 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722360575 AUDRJJCAYYVDRL-WOJBJXKFSA-N 427.574 1.912 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722364896 BPDDTACXNYKMGU-VNTMZGSJSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1722400797 ZTIUOIXVLSSJHB-UHFFFAOYSA-N 430.534 1.506 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1722630056 UIISKLYREAKAHA-QZTJIDSGSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722694664 DEDSABLDLVLVPX-SJLPKXTDSA-N 440.548 1.937 30 10 IDEE C=CCNC(=O)Cn1c(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nnc1C(C)(C)C 1722704545 UTKMLADLHIREML-OAHLLOKOSA-N 429.521 1.949 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(CC)C(=O)C1 1722706394 QPCLJZVLWJCZRL-UHFFFAOYSA-N 440.548 1.835 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1723777512 FQFZDWUXNQSWET-LIRRHRJNSA-N 437.497 1.284 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1723778144 DJOYTLIIIDTBGC-IEBWSBKVSA-N 446.577 1.982 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1728355439 DVMNMKIVSWTHDV-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1729717790 HPVCOTXOEBDTBP-LJQANCHMSA-N 445.531 1.848 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730490812 XNLJNRVYQBZMSV-ARFHVFGLSA-N 430.488 1.143 30 10 IDEE COCCOC1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1730883502 MKUOPYLRXHOLJI-SFHVURJKSA-N 447.561 1.871 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CCOC)c1 1740550718 JOLMOPCGEXWRJK-SFHVURJKSA-N 449.563 1.801 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740590791 JSRAGEVAZBMORK-CVEARBPZSA-N 448.549 1.678 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740626414 AVYNUDWKUZGPBK-CABCVRRESA-N 430.621 1.290 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1740655646 FFMAQKWFNZESSK-FQEVSTJZSA-N 441.557 1.431 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(N(C)C)CCSC2)CC1 1740689262 SZIJUUOKBNGOFZ-QFIPXVFZSA-N 447.653 1.389 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C(=O)NCC)CC1 1740705997 OOYICIDAFMZJCY-GOSISDBHSA-N 444.580 1.300 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1741371388 ZYFVDACKGGDWPC-GOSISDBHSA-N 443.577 1.962 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746286037 BIPHOHVWCHTEFJ-FTFAEBDGSA-N 430.509 1.314 30 10 IDEE Cn1cnc(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)n1 1748038809 SZSOCUMCPJPYME-LBPRGKRZSA-N 429.282 1.613 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1748093099 FTEPXIMNBDJFDR-HNNXBMFYSA-N 439.520 1.168 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1748745286 NKQUGLCAQAKZHK-UHFFFAOYSA-N 442.545 1.476 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1748757926 PHGNVOGTCMJIHM-UHFFFAOYSA-N 434.544 1.705 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1748891088 ZLMVKGSGKAFFSK-DEOSSOPVSA-N 449.559 1.721 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)c1 1748891481 HUFPUERIMBPAMF-YOEHRIQHSA-N 425.493 1.264 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749678082 VPXXLGMUFUPANT-GOSISDBHSA-N 437.552 1.559 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCN2CCC(O)CC2)c1 1750381061 HJRJEWWPOLBUFY-IBGZPJMESA-N 437.548 1.365 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1751173584 KMUQGKLDJMEQTH-CYBMUJFWSA-N 427.477 1.968 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C1 1752248753 CUEPOHMOSJBCNP-INIZCTEOSA-N 432.550 1.903 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1752423985 DJTMSGIBSDSGAT-KRWDZBQOSA-N 437.548 1.629 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1760178873 DJPCDMQVGHGRPD-KRWDZBQOSA-N 433.578 1.721 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1760242990 AVXFDIGUBOOCPM-WJOKGBTCSA-N 443.573 1.527 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1760245036 OWUQAMVSBRSTIE-AOMKIAJQSA-N 430.505 1.588 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1760248318 ILLHFEDECHUHEM-LJQANCHMSA-N 438.532 1.200 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl 1760249278 YQXZQVIMKMHRJJ-DYESRHJHSA-N 431.924 1.876 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1760296039 KFTRLFDWAMDOMA-FGZHOGPDSA-N 444.557 1.419 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCNS(C)(=O)=O)CC1 1760397720 AGLAMGULAKJFKE-FQEVSTJZSA-N 441.598 1.660 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760515392 MZSXEZUSQPRNIP-SFHVURJKSA-N 448.325 1.197 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OCC)C1 1760518232 NFZCTOVCTKQNCT-SFHVURJKSA-N 437.508 1.228 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760548851 RDLOIKHGNAEBAT-ROUUACIJSA-N 425.599 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC(N)=O 1760553113 LOFKVHHAVBRQHT-AWEZNQCLSA-N 449.533 1.017 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1760564263 TZXAXHMWVGIJSL-UHFFFAOYSA-N 448.549 1.220 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOCC1CC1 1761221347 JVGHWZBMPKRXKV-UHFFFAOYSA-N 439.520 1.768 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1761545358 UGQPSRXPPPFQRV-AINLKENTSA-N 446.515 1.920 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncnn1-c1ccccc1 1762301347 DDPBWQAQVSHJFO-SFHVURJKSA-N 449.519 1.554 30 10 IDEE CCCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N 1764570826 DFPDHVZAIAPYHY-CQSZACIVSA-N 432.554 1.503 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1770747282 HNULXWVHCFEENC-SFHVURJKSA-N 433.509 1.562 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1771189061 SMTLNOCUXVEJSD-QRWLVFNGSA-N 432.504 1.810 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1771295707 ZKUFEHWWGKGWCO-FIKGOQFSSA-N 430.484 1.500 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCOCC1 1772564730 YQBOXJITMUCRBU-OAHLLOKOSA-N 445.611 1.145 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)CC1 1848551161 DKQIRRNNAFATBO-UHFFFAOYSA-N 445.520 1.566 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1)[C@H]1CCN(C)C1=O 1849199640 NURYIIKHSOKOET-IRXDYDNUSA-N 425.938 1.738 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCCc3nc(Br)cc(N4CCOCC4)c32)CC1=O 1849669487 OHLIFXAIWNAGDA-CQSZACIVSA-N 449.349 1.994 30 10 IDEE O=C(CCNS(=O)(=O)c1cccc(F)c1)NCC#CCN1CCc2ccccc2C1 1850297293 XODVFMVCGPIDMO-UHFFFAOYSA-N 429.517 1.672 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3c(F)cccc3F)C2)CC1=O 1855859650 WMEXKZPQBHHXDI-AWEZNQCLSA-N 427.473 1.365 30 10 IDEE N#Cc1ccc(C(=O)CN2CC[C@H](N3CCN(C(=O)[C@H]4CCCS4)C(=O)C3)C2)cc1 1856107780 HYXQXGLMDSNBTO-AZUAARDMSA-N 426.542 1.382 30 10 IDEE CCOc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857041997 QDJDUFCOCHSDSX-SFHVURJKSA-N 433.530 1.568 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1 1889598256 NRTHXNPUCFXSHS-UHFFFAOYSA-N 440.009 1.902 30 10 IDEE CC(C)(C#CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)NC(=O)OC(C)(C)C 1897838022 UANZLCDMAALOMP-CABCVRRESA-N 425.526 1.637 30 10 IDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1985958544 YUXKENHRLITFGB-LSDHHAIUSA-N 425.526 1.944 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2124513853 DBTAQAGHXAOJRW-CABCVRRESA-N 448.329 1.787 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247918154 JMOSCPFRQYDCDK-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2248404128 KHZXLFLHTZQOBN-GFCCVEGCSA-N 441.721 1.858 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2255541374 AOXJVHKOMZQSSO-NWANDNLSSA-N 432.330 1.457 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255650530 ZTSIVXSTLPHNSR-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@H]3CCCCN3C(=O)C(F)(F)F)c2)OC1(C)C 2255712078 IJHPCEXRCLUWEL-CYBMUJFWSA-N 429.248 1.987 30 10 IDEE C[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255821112 AISVVRCQEKUUSS-CQSZACIVSA-N 436.362 1.952 30 10 IDEE Cn1nc(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2259354751 GNIMKLXTNOANKO-ZIAGYGMSSA-N 434.346 1.752 30 10 IDEE CN(Cc1nccn1Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267267600 YBKPJJGEOVJCJW-UHFFFAOYSA-N 436.325 1.631 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H]2C2OCCO2)OC1(C)C 2267473239 BRTYQYKMMZIEQW-CQSZACIVSA-N 429.369 1.714 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2267873289 OFSUXUIFJGTBKH-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE Cn1cc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2268977617 BMIMACOKPDAHEV-UHFFFAOYSA-N 442.325 1.036 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2290352129 QHQKYPXIQJSZAT-HNNXBMFYSA-N 441.322 1.358 30 10 IDEE C[C@H](C#CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2302415894 UVWUPLLWFPHHRB-CYBMUJFWSA-N 435.355 1.975 30 10 IDEE CC1(C)O[C@@H]2O[C@H](COS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 254624933 UKCMSQOXSADUBO-LEOABGAYSA-N 445.446 1.697 30 10 IDEE C[C@@H](C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)n1cnc(C#N)n1 409970735 KUNRMKBRSAPLJR-LBPRGKRZSA-N 437.287 1.767 30 10 IDEE CCc1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 426077952 MPOLHIJRTYXAIM-UHFFFAOYSA-N 433.515 1.049 30 10 IDEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1 432202613 KPXAYFYISJRQON-UHFFFAOYSA-N 437.543 1.850 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 435714274 JLUFJJSDPABBBR-MRXNPFEDSA-N 443.956 1.856 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 460939247 VPGCDUWNVQRPPW-AWEZNQCLSA-N 435.506 1.827 30 10 IDEE N#CCCCn1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c2ccccc21 469151564 XTPHZNVECUMONQ-UHFFFAOYSA-N 445.545 1.280 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 472446057 HMTQAHLFXYKMGU-UHFFFAOYSA-N 431.503 1.421 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H]1c1cncn1C 476671718 CVXJNYMBNQJMSB-XMSQKQJNSA-N 435.532 1.725 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 480514657 MUZNZBDOQKMVJV-HNNXBMFYSA-N 437.481 1.469 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 482392282 CPNKIKNERUQGKA-KXBFYZLASA-N 429.498 1.688 30 10 IDEE CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)[C@H](C)n1cnc(C#N)n1 500220161 NAEPVICPSDOFGA-JTQLQIEISA-N 425.312 1.700 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCCO1 514475528 ZPZHSBUXVKYGQK-GOSISDBHSA-N 441.553 1.517 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 559008321 FTZRIRBNDWZLSE-IRXDYDNUSA-N 427.571 1.438 30 10 IDEE O=C(O)/C=C/C(=O)[C@@H]1CNCC[C@@H]1NC(=O)c1ccc(I)cc1 585833006 ZEZHPTYOGSSQMY-PBJSTTKNSA-N 428.226 1.209 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCc3ccc4ccccc4n3)CC2)nc1 586844311 VVJKRBKQQHQALG-UHFFFAOYSA-N 428.496 1.945 30 10 IDEE COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 589494495 ARJFFZDNLAHGSV-UHFFFAOYSA-N 444.469 1.760 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 589639644 BMSVSQDLOKQYHH-GOSISDBHSA-N 448.549 1.026 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Cl 604018511 PYBHBFGUSOUKRB-UHFFFAOYSA-N 425.919 1.907 30 10 IDEE C#CCN(C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)[C@@H]1CCS(=O)(=O)C1 729331491 NWKTUFCBAOZROG-GOSISDBHSA-N 430.486 1.719 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(=O)N(C)CCCC 731482835 OHENOONSKKOCQJ-MRXNPFEDSA-N 426.560 1.370 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 731862203 ADEHDZYKUNSSMP-IJCFDHGGSA-N 440.500 1.337 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664495 PTCFHOLPHZWALN-RDJZCZTQSA-N 440.566 1.424 30 10 IDEE CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732707066 UCOOHKDPUUSDJW-GOSISDBHSA-N 447.561 1.042 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N1CCCC1 734291174 JAGKGMSXPFZZJE-UHFFFAOYSA-N 439.540 1.831 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)c3cc(C#N)ccc3C)C2=O)cc1 734293697 IDXBWSVIGDRFIU-NRFANRHFSA-N 440.481 1.447 30 10 IDEE COC(=O)CCc1nnc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 736274098 PKCFFEBJDGURPN-UHFFFAOYSA-N 437.503 1.101 30 10 IDEE Cc1ncc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)s1 737254245 QLTAHQCRDUZNLT-JWGURIENSA-N 435.531 1.519 30 10 IDEE COCC[S@@](=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747496110 IELOPBWRTMOLPV-SSEXGKCCSA-N 429.498 1.717 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)c[nH]1 753359403 RJURMWZKTCDWKL-OAHLLOKOSA-N 441.509 1.076 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 761626928 AFWWCKHNAHEHOG-JRCVOMKHSA-N 436.538 1.425 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 780370419 PHWFAVINUGNTAV-UHFFFAOYSA-N 446.510 1.266 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C)cc1 782886275 KJRXHFLOOOBYSR-OFQRWUPVSA-N 448.545 1.519 30 10 IDEE C#CCN(C(=O)CCOc1ccccc1I)[C@@H]1CCS(=O)(=O)C1 783358990 VLRZBHDABZOAGQ-CYBMUJFWSA-N 447.294 1.709 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790741140 KHRSTOJQCKEPMO-JSGCOSHPSA-N 425.580 1.272 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccnn1CC 794058629 XZCKQKOJZANHCS-GOSISDBHSA-N 447.561 1.521 30 10 IDEE COC(=O)[C@@H](Cc1ccc(C)cc1)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 795556360 LVVGMZWPLWZGJJ-HNAYVOBHSA-N 430.482 1.861 30 10 IDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 802427155 VMCDDADNIRXDET-IBGZPJMESA-N 440.504 1.739 30 10 IDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2F)n1 807930462 SMQKSNABVLZTPP-HNNXBMFYSA-N 440.464 1.905 30 10 IDEE Cc1cc(N(CCC#N)C(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)ccc1Cl 809249399 HIKOJVOSNIGACZ-YVMONPNESA-N 444.875 1.549 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 809890248 YBYSRMDIXIGBJB-KKSFZXQISA-N 435.525 1.768 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC(C)(F)F)C1=O 814709693 DYIQBNHHQPQPIY-LIDWSNAKSA-N 427.521 1.647 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cn2cc(Br)c(O)nc2=O)C1 1143720169 OOOHDYLPAVYUPK-CQSZACIVSA-N 432.278 1.320 30 10 IDEE COc1c(N)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(Cl)c1Br 1144428897 GDZZEKKSSXBHEG-DTQAZKPQSA-N 443.685 1.950 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCO[C@@H](CNC(=O)NC)C2)nnc1-c1ccco1 1147719653 CUGPSKRBSURGJQ-AWEZNQCLSA-N 434.522 1.363 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 1150368156 RORSVKGEHCBMJA-UTKZUKDTSA-N 445.516 1.736 30 10 IDEE COC1(OC)CC2(CN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C(C)C)C1 1163812384 GSSQXTHIZZVDIB-CRAIPNDOSA-N 435.546 1.861 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 1164612982 LFPZEILFTHLCSU-UHFFFAOYSA-N 439.509 1.740 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc(O)c4c(n3)CCOC4)C2)C1 1175213884 JHRXSFLSSNKNIY-ABTIHDLSSA-N 443.504 1.658 30 10 IDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 1176166270 FJMUGIARVZNGJK-WOJBJXKFSA-N 427.530 1.649 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1177292076 CQRLMZRRKWPHBX-NNZMDNLPSA-N 435.546 1.994 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)s1 1178596996 ACQUIYLFMHWSRE-OIISXLGYSA-N 444.575 1.176 30 10 IDEE C=CCn1cc(CNC(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)nn1 1205371033 DMIXEIHCOTTZDG-UHFFFAOYSA-N 435.330 1.695 30 10 IDEE C#CCN(C(=O)NCc1cc(OC)c(O)cc1Br)[C@H]1CCS(=O)(=O)C1 1252684761 WYPOIEQBBWVISQ-LBPRGKRZSA-N 431.308 1.495 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286344220 GGDKEDHMVOHTTR-SFHVURJKSA-N 433.520 1.687 30 10 IDEE C#CCN(c1nnc(C)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286385685 YUDDBCJRZVOGGK-QGZVFWFLSA-N 433.509 1.091 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@@H](C)C1 1286397684 PAAULAJRPIGOMC-IBGZPJMESA-N 435.532 1.499 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1286408069 ASBMFXZPDDMMKO-DEOSSOPVSA-N 448.527 1.535 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCOC2)CC1 1286492397 JXUMSPPZCOOSRS-LJQANCHMSA-N 439.564 1.532 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286496456 RQXCZUIUMDXROE-KRWDZBQOSA-N 441.623 1.399 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)CC1CC1 1286515594 JNARVUQWVKIYMO-NHCUHLMSSA-N 436.578 1.747 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1286611241 HUSQYDRLFXPKJJ-UHFFFAOYSA-N 432.569 1.688 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1286619150 NKKJEHJHGUVJKJ-RTBURBONSA-N 439.516 1.474 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286692858 IMVNIZPGRBOMGG-ULQDDVLXSA-N 426.587 1.011 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286700295 LKUQGONJIMMZIM-ZWKOTPCHSA-N 434.566 1.557 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286790049 NFPRIMRNDCSIFC-CQSZACIVSA-N 432.550 1.378 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1288248921 GRMPOLRBIZJQNX-DOTOQJQBSA-N 439.524 1.031 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)cs1 1290423736 PCZYVWZGCYXZHM-GOSISDBHSA-N 437.595 1.703 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290889211 XRKCRJHZJLOESK-UOFXHNCJSA-N 433.472 1.563 30 10 IDEE CN(Cc1ccccn1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298375573 JYLDEQKBCMXCKL-DQRAZIAOSA-N 444.499 1.822 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1300494971 AQPRTQPCEQTBRA-DLBZAZTESA-N 447.561 1.706 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1300498310 IWUFGYLSDCFHQP-SFHVURJKSA-N 431.562 1.706 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)CN2CCCC2)CC1 1300683315 ZMKMSJBSULFMEC-IBGZPJMESA-N 429.613 1.684 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCN2CCOCC2)CC1 1300690434 AUQAIDOWIIYFHO-UHFFFAOYSA-N 438.576 1.821 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1300767893 YWYRQNFRHQAFOF-JHJVBQTASA-N 426.457 1.727 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301189405 VSZRDMXWRCMTDY-OALUTQOASA-N 437.610 1.838 30 10 IDEE C=CCCOCCn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1301239957 YOPSWMXOCWHXNW-IAGOWNOFSA-N 437.541 1.929 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1301491278 NZLRBMOGRGIREP-UHFFFAOYSA-N 449.519 1.158 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)CC1 1303000265 CVMRXRLEXKTJOM-CYBMUJFWSA-N 437.476 1.696 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1306428221 LCFYZKRGWLWKNR-MQINBFPNSA-N 445.549 1.087 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)CC1 1310465017 XOLHYQNJQAMWEO-KRWDZBQOSA-N 434.566 1.386 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1314504813 HTCHHSQFXXCTPI-FQEVSTJZSA-N 441.532 1.990 30 10 IDEE CN(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1314652108 CZNTWKWBJFNIIR-CVEARBPZSA-N 429.550 1.339 30 10 IDEE CN(CCc1cnccn1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314831643 XDZCVCQANGINBC-XUTLUUPISA-N 436.520 1.931 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1315797853 GCHDKWPCMMICJQ-RTBURBONSA-N 441.536 1.427 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 1318704840 HNUQLOVJIOYFJK-FBMGVBCBSA-N 438.893 1.136 30 10 IDEE N#CCOc1cccc(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 1319945367 NTJHSSYLJQPPEO-LEWJYISDSA-N 433.512 1.987 30 10 IDEE C#CCN(C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1)[C@H]1CCS(=O)(=O)C1 1323406888 CEEGNFIJESNFDD-DZKIICNBSA-N 426.564 1.407 30 10 IDEE C#CCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936346 LEOMBZDHRRGAAJ-QFIPXVFZSA-N 425.537 1.849 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1358968909 BYPPWJJEFDZJGV-KRWDZBQOSA-N 429.546 1.521 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(Cl)cn1 1359018274 KICPCBABXXQKGG-UHFFFAOYSA-N 432.912 1.728 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](OCCOCC)C1 1359077266 YHDGIRNMLMMDOG-AWEZNQCLSA-N 430.347 1.957 30 10 IDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNS(C)(=O)=O)CC1 1359177341 JJMVCZQJJXOLKS-UHFFFAOYSA-N 436.538 1.348 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359183174 FBRFFBKVTJKTBG-CABCVRRESA-N 447.627 1.504 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359293911 DGUWXFTWWHAQSZ-KRWDZBQOSA-N 439.520 1.296 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359330286 NHZNUJWMFDVDAK-INIZCTEOSA-N 430.534 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359331113 NPEMYGUKRCUXIW-KRWDZBQOSA-N 442.549 1.583 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)[C@@H](C)C1=O 1360018229 NTIJLNHBFVSZMP-XDHUDOTRSA-N 449.559 1.988 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@](C)(O)C(C)C)CCOC1 1360348010 QZCVCKUNKSBNPZ-WTIAFYNJSA-N 446.596 1.902 30 10 IDEE C#CCN(CC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1441561399 AZAPMUNBIXDDIO-UHFFFAOYSA-N 438.569 1.916 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1443514677 KJMBNXUVNUAERK-MRXNPFEDSA-N 430.571 1.199 30 10 IDEE Cc1c(NC(=O)CSCC(=O)N2CCC[C@H](C#N)C2)c(=O)n(-c2ccccc2)n1C 1455566204 CLWIFDGQNCGQFZ-MRXNPFEDSA-N 427.530 1.918 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(OC)CCSC1 1456025914 KPQCXFSYVWFFJI-HNAYVOBHSA-N 425.576 1.922 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](CNS(C)(=O)=O)C2)n(Cc2ccco2)c1C 1460735376 WGRONGFQBFDUJD-INIZCTEOSA-N 433.534 1.428 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(C#N)cc2F)C1 1462725852 UDCVNDMAYFMQDP-CQSZACIVSA-N 425.482 1.851 30 10 IDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)C(=O)OC(C)(C)C 1465024212 QSUCXBGVJHDEQR-UHFFFAOYSA-N 438.550 1.812 30 10 IDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(F)(F)c1ccccc1C#N 1469108658 DIJNEKGGQMSNMM-UHFFFAOYSA-N 438.412 1.995 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1Cc1ccc(C#N)o1 1504964394 HSSZLZSVDKUVRV-HNNXBMFYSA-N 430.509 1.868 30 10 IDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507633322 FWJJWVUEYJVAKP-MAUKXSAKSA-N 446.529 1.188 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1507667040 JVGUKNDCHHJAHE-SJORKVTESA-N 428.537 1.853 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1507752039 UJNCMHWZNJSKCC-MRXNPFEDSA-N 425.580 1.134 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1507843696 QZDZAYZVUZREDU-JOCHJYFZSA-N 437.504 1.888 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1507957060 CPTTWVMDEVJPDF-INIZCTEOSA-N 427.571 1.488 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1508021854 UOIHJDLBMLTADF-LJQANCHMSA-N 447.561 1.846 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ccnn2C)CC1 1508097808 VTQMIINZUZLPMK-PXNSSMCTSA-N 443.552 1.422 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(=O)NC)CC2)cc1 1508100138 FCUKPRMYYPKEHG-LJQANCHMSA-N 438.532 1.805 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)C)C1 1508123321 HOCSJCYYGSNINO-SJORKVTESA-N 427.571 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCCC2=O)CC1 1508138142 WZDJNWKIPARGGP-UHFFFAOYSA-N 432.550 1.465 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNS(C)(=O)=O 1508425184 UMQBRSOZYDBRPH-OAHLLOKOSA-N 430.538 1.052 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1512577759 HPGJGLMSNFLREB-MWTRTKDXSA-N 438.532 1.839 30 10 IDEE CCCCNC(=O)[C@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514502946 PTHOLKJLGRZRPW-RJCBAWPRSA-N 429.525 1.246 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)CCOC)cc1OC 1516275489 DHSKJKQNUUUCEN-HTAPYJJXSA-N 445.520 1.869 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)CN(C)C)C[C@H]1O 1517687995 FNGCBDNSBWTBHE-RTBURBONSA-N 440.548 1.765 30 10 IDEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1518371076 CHXBWLAZPZGYFK-SFTDATJTSA-N 445.545 1.633 30 10 IDEE CN1C[C@H](C(=O)NCCSCc2ccccc2C#N)N(C(=O)OC(C)(C)C)CC1=O 1525250727 BXMBOKROMHQXRN-QGZVFWFLSA-N 432.546 1.985 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1536859642 JOCZRJDHLAEWHH-KHYOSLBOSA-N 429.539 1.426 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1536900946 MKBZARDMVZRYTK-KXBFYZLASA-N 441.981 1.987 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)O1 1538455732 FWHIUWFUIPVYLD-YSIASYRMSA-N 427.505 1.572 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1539416738 SWRKDQJOEQXWJJ-HXUWFJFHSA-N 425.533 1.753 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cn2ccsc2n1 1539422808 LWHMSAXZCXZRDZ-RDJZCZTQSA-N 430.534 1.846 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539599789 KOSHALUKIRZRNC-MBOZISHXSA-N 445.383 1.686 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539617219 UYTCZWIHBFNSJE-ZACQAIPSSA-N 428.541 1.915 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1539632214 QCXCIOULVBUDON-RYRKJORJSA-N 439.582 1.122 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)s1 1540685972 GCRGWLPLAXZISY-IBGZPJMESA-N 449.598 1.945 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC2CC2)CC1 1540864923 PDCPSDARHNTHEZ-UHFFFAOYSA-N 425.493 1.688 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540870933 ACYBWZVTCOTLAK-CYBMUJFWSA-N 430.475 1.674 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC=C)cc1 1540878063 MWLUHYUXCRNCLZ-IBGZPJMESA-N 447.561 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(N)=O)c1 1540901538 HGDXLVKPWFNNLX-UHFFFAOYSA-N 443.533 1.015 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1541261995 MJAIKJAUEUOLOL-FQEVSTJZSA-N 438.532 1.927 30 10 IDEE CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1545989760 KEOFWMVMCOZAFW-FGTMMUONSA-N 440.552 1.974 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NC1(C#N)CCCCC1 1546233786 OLPAJDZVDBUNHX-ARFHVFGLSA-N 425.551 1.999 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C(C)C)N1CCOCC1 1546489917 HMMLXUPKCZYVCM-LJQANCHMSA-N 425.537 1.732 30 10 IDEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1546905799 BGCDXAYAYKCYGK-FQEVSTJZSA-N 439.564 1.842 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1554689049 CEJCOFTYMZWKBN-VDVXRXHMSA-N 444.536 1.704 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1557387316 TYPKHBXHWBNLBJ-YFPIXMDGSA-N 439.512 1.593 30 10 IDEE COc1cc([C@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)ccc1S(C)(=O)=O 1560234463 FRFVIFMJYRMIDW-FUHWJXTLSA-N 436.578 1.442 30 10 IDEE COc1cccc(-n2cc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)nn2)c1 1570769337 SRYNTJNBHCDBNM-UHFFFAOYSA-N 440.485 1.733 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NOc3cccc(C#N)c3)CS(=O)(=O)[C@@H]2C1 1587208871 RGMLEXKZIWVRBK-DJIMGWMZSA-N 435.502 1.638 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1B1OC(C)(C)C(C)(C)O1 1587497977 IOUNPDQMRHIDTH-WAIKUNEKSA-N 441.337 1.745 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1587662954 RZGKADFEKZIKKO-RDJZCZTQSA-N 439.486 1.861 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588045956 URJJBMBQATUBJF-MJGOQNOKSA-N 443.573 1.877 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1588054689 PLBXXQUDJZCLFW-ROUUACIJSA-N 432.550 1.064 30 10 IDEE C#CCN(c1nnc(CC)n1CCN1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 1588059979 XQGPBPLHFMVQMK-KRWDZBQOSA-N 433.603 1.587 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cnn(C)n1 1588093137 CHCIGVSVCCFFHL-UHFFFAOYSA-N 427.310 1.870 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1589069353 KDJSPXZMKIABJR-ZIAGYGMSSA-N 431.484 1.653 30 10 IDEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589125766 QJZMAHZKANHFBK-JOCHJYFZSA-N 449.621 1.990 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 1589664188 UPXOBEPYAGDCLL-MRXNPFEDSA-N 427.571 1.319 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1593729678 MWVBCPWOYJRPMZ-KRWDZBQOSA-N 436.582 1.974 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1 1595185050 LWCPUCHJTBELJF-NRFANRHFSA-N 447.561 1.525 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595602826 RVEKGWVSWYXRPP-XXBNENTESA-N 447.580 1.874 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612267253 SNDJSTKLMCBNGX-LSDHQDQOSA-N 436.516 1.989 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H](C(F)F)N1CCOCC1 1613987759 ZDTOPZCHFINSPU-KRWDZBQOSA-N 447.490 1.731 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC)C1 1615973129 QGDVCVGBRAEHFL-GOSISDBHSA-N 432.550 1.761 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1619322020 FDYHFHHPJFLEQW-QGZVFWFLSA-N 447.517 1.172 30 10 IDEE C#CCN1CCN(C(=O)CN2CCn3c(C(F)(F)F)nc(Br)c3C2)CC1 1620657608 VVABDXRKWFHFNX-UHFFFAOYSA-N 434.260 1.257 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1 1624072944 BXTUCKOARCZUJK-MRXNPFEDSA-N 432.481 1.608 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(=O)nc1O 1625512662 AFNBQOWJEZUSOV-INIZCTEOSA-N 433.871 1.956 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1629453240 KOKXMPUTAGIJQP-INIZCTEOSA-N 439.534 1.517 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)CC2)c1C#N 1634181266 HCTLQCXNMODXSP-QGZVFWFLSA-N 433.557 1.094 30 10 IDEE Cc1cc(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)c(C)n1-c1ccc(C#N)cc1 1636149735 WCFNVZPQUFNVSB-QGZVFWFLSA-N 432.484 1.774 30 10 IDEE C=CCCONC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1641570266 BXEUVEPOUHUWDC-AWEZNQCLSA-N 433.324 1.606 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3n[nH]cc3C#N)CC2)c1 1643356419 BOARDKSGGMVGMJ-UHFFFAOYSA-N 444.517 1.150 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1644465939 MLQMMSBULHRTEC-QGZVFWFLSA-N 430.482 1.398 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2=O)s1 1648766136 FEROWWGOGIOWIJ-HNNXBMFYSA-N 425.576 1.758 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)c1 1653955666 ICYKWEBITPMZFV-MRXNPFEDSA-N 439.559 1.363 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)CC1 1654801119 GZZTWHAWHPNZHH-PGRDOPGGSA-N 437.585 1.030 30 10 IDEE C=CCN(C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1672982211 ZKJCUTAEMFULQY-QGZVFWFLSA-N 427.548 1.429 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)nc1 1689826557 QIFJMEMFJRZNOK-HZPDHXFCSA-N 433.582 1.636 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1689940235 RPDPEDLJTRMGPR-UHFFFAOYSA-N 427.505 1.574 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1690125475 IDACTKNXOINRAI-UHFFFAOYSA-N 429.590 1.825 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690319964 DXHINSQSRYFWIC-ZACQAIPSSA-N 448.568 1.953 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690670356 AELQVNQZVWEVAO-AOMKIAJQSA-N 429.496 1.711 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1690994991 BAORRBKKOFWUJT-SJORKVTESA-N 446.577 1.665 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1692555512 KFOHSBAUSQJVQW-JOCHJYFZSA-N 442.520 1.495 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCC(F)F 1693750595 WEMRRSYCXRDRDY-CQSZACIVSA-N 434.447 1.677 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1698302710 PFEFCRFKGPAPMO-SFHVURJKSA-N 428.518 1.760 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1705517461 WHQUOCYDZYPHGZ-MSOLQXFVSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705565324 HSYOQEHKSMYKFN-CABCVRRESA-N 436.563 1.355 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NC(C)C)CC1 1705650257 OJEHNVWXSBJQNV-UHFFFAOYSA-N 437.548 1.144 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1705677177 FDNRPIFXCITWFZ-HSZRJFAPSA-N 444.499 1.874 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705899875 JMIMGHSQKXMVSP-IEBWSBKVSA-N 440.548 1.413 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1706069010 UUGBMSXTVZWNJF-GJZGRUSLSA-N 447.521 1.731 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706239621 HLVVJCJZXNMJLB-UHFFFAOYSA-N 446.519 1.101 30 10 IDEE Cc1csc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)n1 1707730454 BXVITHBWUZOSSF-GXTWGEPZSA-N 439.567 1.020 30 10 IDEE CCCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1709657805 UYYMPYIGJGNNTM-YJBOKZPZSA-N 439.520 1.875 30 10 IDEE COCCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1712609293 ASUFZINPVFFSSS-YLJYHZDGSA-N 439.582 1.753 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCOCC1 1722276695 FUMQTVNGHGARNT-OAHLLOKOSA-N 446.577 1.546 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1722333097 RTVAJUZEXOSFEF-KRWDZBQOSA-N 433.578 1.575 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722362367 APRLDAKULCMZEZ-NHCUHLMSSA-N 443.573 1.287 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CN1CCOCC1 1722391931 YWCNCQALRCNPBO-OFNKIYASSA-N 429.565 1.361 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1722429314 POJNVNWXBVVDIB-SFHVURJKSA-N 435.594 1.141 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2c(C)noc2C)CC1 1722441843 VOYYXACPNOVAMJ-ICSRJNTNSA-N 428.537 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1722696952 VIQDHNOHYGTXNG-UHFFFAOYSA-N 432.550 1.074 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722702294 HJRHNJYZIIYUOK-AOIWGVFYSA-N 449.552 1.079 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1722736715 FXFWPZKZJQDZRU-CRAIPNDOSA-N 430.596 1.473 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1729222147 ZHCPRMUCTDMKHX-SFHVURJKSA-N 432.550 1.619 30 10 IDEE COCCOCCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730927727 ROHJEZUWOJGIOV-KRWDZBQOSA-N 428.541 1.516 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(=O)(=O)CC 1740536903 OKNQUUXUAXIZBR-LBPRGKRZSA-N 443.371 1.823 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1740596346 BTPWGBLMUUZNDA-QFIPXVFZSA-N 432.569 1.974 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1740618703 ATQQCOBDLSFTMA-QGZVFWFLSA-N 447.948 1.527 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2Cc2ncn(C)n2)n1 1740687667 JCUPOVSFEZCMCK-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740712717 RHPBLUYHZVWTPH-INIZCTEOSA-N 437.591 1.979 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1740719384 KTNVGFVKRWFBNC-UHFFFAOYSA-N 438.601 1.918 30 10 IDEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 1740909613 RZVILVSIDHKWOS-IBGZPJMESA-N 426.569 1.776 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C(=O)NC 1740969596 SOVWLOMAIJJQGM-RDJZCZTQSA-N 426.521 1.661 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1740991946 IWVNHXBETWNQFQ-UHFFFAOYSA-N 433.582 1.502 30 10 IDEE CC(C)(O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741252554 FWSAAEXJAMUFGY-UHFFFAOYSA-N 438.536 1.268 30 10 IDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1741629135 PBLOKTSRZNLXAT-SFHVURJKSA-N 436.520 1.335 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCC(F)(F)C1 1741943477 GMILGIIAJMPSOO-SOUVJXGZSA-N 446.524 1.833 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1746732856 BXRJSQBJERLEOH-UWJYYQICSA-N 432.525 1.062 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1748697795 NQQQUWMYLMZNHZ-NRFANRHFSA-N 441.624 1.922 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CCC)C(=O)OC(C)(C)C 1748771744 JWHYIGWMMVNJNM-HNNXBMFYSA-N 442.586 1.605 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1748790730 LBYGDKFAXOSWND-LYBXBRPPSA-N 443.573 1.874 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748818417 BGIUUKROVWOEQN-KPLVRAHFSA-N 445.589 1.688 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1748922826 NFKDXAYIOGZHOG-MRXNPFEDSA-N 449.515 1.548 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)CCOC 1748944742 CVUMUMXALASQML-PGRDOPGGSA-N 429.496 1.796 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1748993457 YOWRCQHVIRAWCT-CTNGQTDRSA-N 427.524 1.815 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)C2CCC2)CC1 1749009471 RBSPRNHYUHAVBA-UHFFFAOYSA-N 449.559 1.612 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749266734 KVPAZRNWJRRLKM-KGLIPLIRSA-N 431.946 1.012 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1749368202 DQKTZWIABIYYHA-QGZVFWFLSA-N 445.593 1.899 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749396760 HFYFMLUEVYUDJM-UHFFFAOYSA-N 435.536 1.855 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749635061 UHDZHHCNDBFTNM-UHFFFAOYSA-N 429.506 1.090 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749660561 UEFMZETUBGFCHD-YLJYHZDGSA-N 435.532 1.276 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)Cc1ncnn1CC(F)F 1749663879 AYKJUQZUGVLWRL-UHFFFAOYSA-N 434.426 1.879 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749669568 ISJAAIHVURWGBK-SJORKVTESA-N 429.525 1.972 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749761187 WYQLRJWEBWVJRH-ROUUACIJSA-N 434.610 1.477 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1750001203 IFKGOWKSMLCTEA-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE CS(=O)(=O)CC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1750196961 AGIIGOPXSYCYII-QGZVFWFLSA-N 433.509 1.562 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCOCC2CCOCC2)CCO1 1750388351 NXGNYCBACLQWLW-HXUWFJFHSA-N 426.521 1.826 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCCO1 1752387495 HCRZDCIRMBZLJJ-AEFFLSMTSA-N 445.545 1.779 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1752477407 MUFHUCHAECITBU-SLFFLAALSA-N 438.532 1.852 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760138348 WTZCZPSEZVDPGC-OALUTQOASA-N 447.605 1.726 30 10 IDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1760165166 LAVIPGUDNGUXFV-UHFFFAOYSA-N 439.541 1.811 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1760185090 PKHGGNHODKYOED-GOSISDBHSA-N 432.546 1.279 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760187091 HRQJKBSONKPXSI-XUVXKRRUSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1760196437 NTCIPSDRDAIHEL-NRFANRHFSA-N 434.562 1.359 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2n[nH]c(C)n2)CC1 1760254484 YCJXBRVTBBFGHU-MRXNPFEDSA-N 438.511 1.982 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760310350 CDSRUMLSJYFMPH-OLZOCXBDSA-N 439.314 1.244 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760425826 WFVXCEIWSZUZAG-DLBZAZTESA-N 438.598 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760553087 LDLCIVBWUGASJZ-HNNXBMFYSA-N 428.518 1.084 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCCO)C1 1761543071 QECDENDQKCIJGU-NRFANRHFSA-N 447.561 1.878 30 10 IDEE Cc1c(Cl)cccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1761642285 GHDQSBWHZYDCIA-DZGCQCFKSA-N 438.941 1.627 30 10 IDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763223591 JBPYOMNHYMXLJT-XSAFGROZSA-N 441.536 1.665 30 10 IDEE CCCN1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1766140922 FGKSSNAHFIVJQF-VZCXRCSSSA-N 441.536 1.521 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)C1 1767251728 CEGKKMQEHRWANA-ATZDWAIDSA-N 444.561 1.760 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1770783521 ZSXYOHCPTOUNMY-JKSUJKDBSA-N 436.875 1.575 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1770977644 XHHLAFQVUMRWIK-YYDVJCTNSA-N 438.532 1.661 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1771491456 AHNBNBJNKRKNQW-CRAIPNDOSA-N 448.549 1.139 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1772793470 ZGMOXUBSVJEERQ-UHFFFAOYSA-N 434.401 1.215 30 10 IDEE N#Cc1cccc(C(=O)O[C@@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)c1F 1852429596 PRIFBBJRSMWLJJ-LJQANCHMSA-N 441.459 1.662 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CCC2=O)cc1 1853789467 ICRFDVGXEDNRJZ-KRWDZBQOSA-N 432.546 1.551 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc4cccnc34)C2)CC1=O 1856804781 GLGCSHQDJPRPGH-JKSUJKDBSA-N 431.470 1.117 30 10 IDEE CC(C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869927898 HGAHGNDEYIDLKZ-QUCCMNQESA-N 444.557 1.874 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874434008 ITQMRZDLIRAHGE-ZVBGSRNCSA-N 435.506 1.857 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 1891230984 JTYICNQSRAAIDV-UHFFFAOYSA-N 432.496 1.996 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060627316 HVOSJSXEHPCRMD-FQLMCAECSA-N 435.330 1.273 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073754153 JUNNHGMXUMCKFN-LKBUQDJMSA-N 437.346 1.840 30 10 IDEE C#CCn1ncc(N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2106012281 YXPFFBDJGSRTOE-AAEUAGOBSA-N 427.299 1.733 30 10 IDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2211148937 NHULYLUDADJNRX-UGUYLWEFSA-N 425.526 1.752 30 10 IDEE C=C(Br)CS(=O)(=O)N=c1nc(CCNC(=O)OC(C)(C)C)[nH]s1 2212136104 FKKHZGIAMIWKEW-UHFFFAOYSA-N 427.346 1.678 30 10 IDEE C=C(CS(=O)(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243417842 XLDHMSRPWDDCOR-AWEZNQCLSA-N 434.364 1.321 30 10 IDEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243675591 YMJSXHVKHLEDJZ-NSHDSACASA-N 427.332 1.903 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2255653487 JIKHRTJNLKKIRM-LSDHHAIUSA-N 436.314 1.679 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2255839453 WFTGGMVRGSXGKA-CHWSQXEVSA-N 435.334 1.290 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255925737 BQLJUGNAXBENFZ-AWEZNQCLSA-N 436.314 1.307 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2256611887 AZOGCMOPMSLXFG-KRWDZBQOSA-N 432.326 1.714 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267008690 IKMICVXZJRRBCH-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@@H]1NC(=O)OC(C)(C)C 2267263304 DLTLBRPFVBEQES-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 2267493323 YVQQJDYFZDXLHS-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CN1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2267552414 SKCLJIOIBAABSE-LBPRGKRZSA-N 445.247 1.014 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267556520 XAYDIDTZVDEZHS-CQSZACIVSA-N 448.325 1.775 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2272637300 UJMCDBAWBWRDSU-RCDICMHDSA-N 446.357 1.706 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2315534251 RCQPILQATJSMEE-MCIONIFRSA-N 432.330 1.457 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)CC1=O 2327840309 YNSWBJNCTKQVBQ-CYBMUJFWSA-N 444.517 1.550 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2340989322 DGKPJKVFYDUHAN-DZKIICNBSA-N 446.357 1.847 30 10 IDEE N#C[C@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@@H]1CCO2 2364288482 OEGYDTKAPZNABO-KKSFZXQISA-N 431.514 1.787 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 410202082 OVTNKWGKHCTKIB-JQHSSLGASA-N 433.534 1.071 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C[C@H]1CCCO1 445593260 VGMNFFQWYODNGF-OAHLLOKOSA-N 447.919 1.687 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 464204826 MFEDXMUDUUUSIZ-RBUKOAKNSA-N 440.525 1.444 30 10 IDEE COCC[C@H]1CCCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 467272357 BJIQOCQMCDHSGH-LJQANCHMSA-N 448.589 1.530 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@H]3CCCN(CCO)C3=O)c2)c1 473664294 ZCYCKTDDGLHDET-NRFANRHFSA-N 435.480 1.978 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)n(C)c1 488461693 PZQOZTJPQHGHNV-QGZVFWFLSA-N 447.542 1.301 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1C#N 489284557 BYIKTSLUKIYUHA-SFHVURJKSA-N 427.530 1.438 30 10 IDEE Cn1cc(C(N)=O)cc1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 503271137 VMYRMXWPIKSMRR-KRWDZBQOSA-N 430.306 1.909 30 10 IDEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N[C@H](C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 505937561 GZMXNFHZYMIMDS-RHSMWYFYSA-N 427.530 1.963 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCCO3)c1=O 523466563 VUMKLDFIGBYKBC-UHFFFAOYSA-N 440.521 1.590 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(c2ccc(C(N)=O)cn2)CC1 532664682 CMEJXBDZTRFBCL-QGZVFWFLSA-N 436.516 1.646 30 10 IDEE N#Cc1cccc(CC(=O)NCCC(=O)N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)c1 537606416 KDXRREBGIIQWIO-UHFFFAOYSA-N 443.507 1.392 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)CC2)n1 545504869 HGUODQHNERLDLM-FQEVSTJZSA-N 445.589 1.424 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(C#N)ccn2)CC1 565091459 BXGHKDHCGYORMB-UHFFFAOYSA-N 432.458 1.096 30 10 IDEE N#Cc1cc([N+](=O)[O-])c(N2CCO[C@]3(CCOC3)C2)cc1N1CCO[C@]2(CCOC2)C1 569876115 MXYUGXFRCHLBMI-NHCUHLMSSA-N 430.461 1.458 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 581203801 FQJLFRJRQDCXDR-UTKZUKDTSA-N 449.559 1.785 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NC2CCCCC2)nc1C 586352154 UUVZPGCWNBEVMD-MUUNZHRXSA-N 427.548 1.930 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccco2)C1=O 730143752 DNCYWRVXTFVYQY-QAYQYMSWSA-N 429.546 1.785 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732674585 JSTBSNHRXGXCKQ-IBGZPJMESA-N 431.562 1.743 30 10 IDEE COC(=O)[C@]1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCN(Cc2ccccc2)C1 755776044 FFBMGFWPKGJACW-FBBFKJPPSA-N 440.500 1.227 30 10 IDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)s1 773321873 MHEVSRDJTYYWQI-UHFFFAOYSA-N 443.572 1.589 30 10 IDEE C=CCN(CCc1ccco1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 779352370 UAWLWZXQSPZKOS-UHFFFAOYSA-N 448.325 1.945 30 10 IDEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(Cc4ccon4)c3=O)n2)c1 781136830 PFOWHPBPJUJMMX-UHFFFAOYSA-N 429.465 1.170 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 782757586 GPUDHZXMQFNNPX-UHFFFAOYSA-N 438.509 1.985 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC[C@H]2CCOC2)C1=O 784125169 NAHGGTXMMOUSFJ-LPHOPBHVSA-N 443.573 1.984 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCn2ccnn2)c1 784127023 SPWMAVSWJAYSRN-SFHVURJKSA-N 443.577 1.676 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)cc1C#N 787610395 AYQWRZCSUKJJNW-NRFANRHFSA-N 436.512 1.681 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 805883114 ZUPXKDFZRZSNAQ-UHFFFAOYSA-N 447.538 1.216 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@]3(CCCOC3)C2)c1 806217421 HAOMIYKKWUDGDL-FCKILEINSA-N 436.534 1.913 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1116573340 GBQKNIFSIFQOTM-UZLBHIALSA-N 438.546 1.954 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)CC2)c1C#N 1128138259 HHUISPQAWPJNIW-UHFFFAOYSA-N 437.426 1.237 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 1140930678 VBVUPEHUMALMAA-IRXDYDNUSA-N 439.490 1.762 30 10 IDEE Cc1ccc(C(=O)NCCc2cnc3c(Cl)cnn3c2)cc1S(=O)(=O)NCC#N 1141562093 HIGCREZZKLRDBW-UHFFFAOYSA-N 432.893 1.466 30 10 IDEE Cc1ccc(C#N)cc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1148005447 CWRDTPCKZIKGAO-UHFFFAOYSA-N 448.545 1.574 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1155872852 FNDRJUOROPFKEG-NRFANRHFSA-N 449.573 1.365 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C1CCCC1 1161440311 GFMDIWUMAMIMBC-VQTJNVASSA-N 433.578 1.598 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncc(Br)cc3C#N)CC2)C[C@@H](C)O1 1162126009 FEIAVYKNXFRDDO-CHWSQXEVSA-N 444.355 1.192 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1)c1cc[nH]n1 1171824303 WTVIFTPNUPSXOM-SFHVURJKSA-N 443.504 1.019 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286349084 DYUMOLFJLRHNIY-OAHLLOKOSA-N 447.521 1.540 30 10 IDEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1286359805 KIDWJLHNUZCZFH-IRXDYDNUSA-N 443.552 1.977 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286391680 FLYSAFCCAADLPJ-WJFTUGDTSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286394140 HCNVZYBFOWFQIK-INIZCTEOSA-N 436.509 1.637 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1286421384 XPOKGMSXSICPGW-GDBMZVCRSA-N 434.591 1.920 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1286447827 NQLDSIJDQKISGF-IBGZPJMESA-N 443.573 1.802 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)CCOC)CC1 1286485330 ZFCTXDBPLLPCLC-HSZRJFAPSA-N 427.549 1.708 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286505311 XCLAWIKMGIWDND-MRXNPFEDSA-N 445.618 1.996 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1286672258 KHMCOIZQUDYMED-MRXNPFEDSA-N 441.598 1.829 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1286748416 XOFMELYFBWXHMN-CQSZACIVSA-N 435.579 1.924 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 1286891592 KWBLRMIUCIMMPL-UZLBHIALSA-N 425.512 1.775 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1287136700 GBSBJJZWUJMIST-KRWDZBQOSA-N 430.534 1.212 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(C(=O)N(C)C)CCCC1 1288772994 HABOKHDEKSSYIR-CABCVRRESA-N 439.586 1.275 30 10 IDEE Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1290743988 UHZLYBLRPBIOTR-NHKNDPDJSA-N 426.477 1.892 30 10 IDEE C[C@@H]1CSCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1291314217 WWWDWYGXNBEMNY-FZFLATATSA-N 439.545 1.732 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1297556828 KPNRBHATMWNTQL-UHFFFAOYSA-N 446.515 1.674 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300313543 KTTTZEJHWKWKGX-BJLQDIEVSA-N 442.589 1.926 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)nn2C)c1 1300332778 NUVASKZJYIQKCG-LJQANCHMSA-N 446.515 1.376 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300488103 AUBXEEPMJUAMKC-OALUTQOASA-N 443.529 1.105 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1300498744 MNWASUQMAXWSGT-LJQANCHMSA-N 428.558 1.841 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1300621660 OOLNRUZIEGCDJQ-RTWAWAEBSA-N 436.560 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C)no2)CC1 1300711306 XHEQYVVHHAJGOG-UHFFFAOYSA-N 441.536 1.507 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1300879179 BLDWUNOVTYORFM-MAUKXSAKSA-N 434.566 1.673 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301500164 JRXUYWRLOFQRDH-YESZJQIVSA-N 446.552 1.387 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301588584 HXERQSUMNKAYIA-AEFFLSMTSA-N 434.566 1.185 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCCS1(=O)=O 1302241715 AYTWRGWYQMUHRS-TWMKSMIVSA-N 425.555 1.565 30 10 IDEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1304714332 PSBODHWNIIXHJJ-UHFFFAOYSA-N 448.531 1.641 30 10 IDEE CCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306188824 RHFKCKDOGJSQQN-ISLYRVAYSA-N 445.524 1.424 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1)[C@@H]1CCCO1 1312541174 AQPAKLHDEMOTCL-SQNIBIBYSA-N 432.525 1.830 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)C(C)(C)C 1316272580 LGMYAXHKNLBLLE-JYJNAYRXSA-N 427.571 1.954 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC(=O)N2CCCCCC2)c1 1316528772 HKQIYSKHSTXNPH-IBGZPJMESA-N 435.532 1.921 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1358872029 NQZWMZAEPPAPHV-GJZGRUSLSA-N 445.524 1.719 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O 1358878306 UVHDAOVTVRUIOA-HNNXBMFYSA-N 439.541 1.862 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1358924320 SMFPQODDWQORLV-UHFFFAOYSA-N 427.940 1.808 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358995715 CDMITALCSWZGCB-IBGZPJMESA-N 446.477 1.990 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCNC(=O)c1cc[nH]n1 1359016143 RCYVVXTXIBCSMC-UHFFFAOYSA-N 445.462 1.667 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnccc2OC)CC1 1359038885 OLIHSNSDAPBUTR-UHFFFAOYSA-N 443.511 1.936 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C2CC2)N(C)C)CC1 1359046587 XWJKDVQEXJYKCF-NRFANRHFSA-N 435.576 1.570 30 10 IDEE C=C(C)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1359124812 FNTYIQLMXOHZCQ-IBGZPJMESA-N 427.571 1.367 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359215525 DOFJWILMLOVMGI-KSZLIROESA-N 439.582 1.725 30 10 IDEE C=CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1359290730 NYNNNVSYDSGYIL-HRAATJIYSA-N 437.541 1.846 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359458604 PPHOJSBWKSTACC-HNNXBMFYSA-N 425.493 1.233 30 10 IDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359574840 LVFMYZJRXIOWBM-IAGOWNOFSA-N 431.541 1.831 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(CO)c2)CCOC1 1360347931 POLZDDPIYUTUEU-UGKGYDQZSA-N 427.505 1.588 30 10 IDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1440746428 NNRWABGPRMZITC-CMDGGOBGSA-N 435.484 1.953 30 10 IDEE C#CCN(C(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCS(=O)(=O)C1 1442017130 ISOMUPRGGZMVSC-YWZLYKJASA-N 439.534 1.181 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](O)c2cc(OC)ccc2OC)cc1 1455537869 SMNVEMVCMJARJY-VLIAUNLRSA-N 432.498 1.467 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(N(C)S(C)(=O)=O)c3)cc2C1=O 1463302287 BKOWAEWNRKAJQS-UHFFFAOYSA-N 427.482 1.794 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1464927335 ASHFFPQTOYONCY-OAHLLOKOSA-N 430.933 1.219 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](C)c2ccc(I)cc2)CC1 1467814680 MSZNPFXLZHJZFM-CQSZACIVSA-N 439.297 1.288 30 10 IDEE CCC1(N2CCOCC2)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1478567157 GZWMKCFIEYMBNP-OAQYLSRUSA-N 439.560 1.946 30 10 IDEE C=CCC[C@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479379460 WGFMIRUOMCIPLQ-CVEARBPZSA-N 425.526 1.946 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)n(C)n1 1492724298 ACQUQEJGENGLDW-UHFFFAOYSA-N 434.504 1.378 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1503201621 HISCLZVAIGUNOE-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1ncccc1F 1507684969 LBNCYRYVGLYOHT-UHFFFAOYSA-N 433.451 1.993 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](F)COC 1507709943 GGNXNFJWFLUSRM-OAHLLOKOSA-N 428.468 1.263 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCOC2)CC1 1507734806 YRHVOHWCXPKWRT-QFIPXVFZSA-N 443.935 1.716 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C2CC2)N(C)C)CC1 1507738855 GGKFGPJHWHCOOD-UXHICEINSA-N 428.581 1.826 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507863574 IJSQLKAHMKDNTQ-UHFFFAOYSA-N 449.943 1.405 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1507983300 PUWIRJQFVZXDLS-SFHVURJKSA-N 449.577 1.509 30 10 IDEE C=CCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508067808 QQFLRMZSORUNKN-VGSWGCGISA-N 432.569 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1508149444 VEDLEHFAINEIEU-OXJNMPFZSA-N 442.582 1.535 30 10 IDEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)cn1 1515763133 HTZVZZBQPVERAI-UHFFFAOYSA-N 442.549 1.561 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1516765889 STHHNGVTWPJDQU-VQTJNVASSA-N 427.505 1.864 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OC 1535347818 YMUWBQGERBTWPT-LJQANCHMSA-N 436.530 1.914 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1539089851 UHVFLQUVGJXJCP-UHFFFAOYSA-N 441.499 1.932 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1539266215 NTWNAVSMKQERTB-IBGZPJMESA-N 438.557 1.297 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1539324878 YXIGIJMPSZWDKG-KRWDZBQOSA-N 429.546 1.940 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCS2)CC1 1539468978 LGHRZSYDHHDUBD-WMZOPIPTSA-N 435.594 1.864 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCCCCS(N)(=O)=O)cc1 1541115215 YMLPBPHOXMQWSC-SILNSSARSA-N 430.552 1.287 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCOCC2)cc1 1541657400 JLWALGGABKEQFT-QFIPXVFZSA-N 441.511 1.743 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCO[C@H]2CCOC2)CCOC1 1541725172 DXPPIZRSDBFVLX-IOMROCGXSA-N 437.516 1.956 30 10 IDEE CN(C)C(=O)N(C)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1560033194 MISBXMIXNHARIO-PMACEKPBSA-N 430.528 1.222 30 10 IDEE CCN(CC)CC(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1585381352 MSXWXQHERVPQMX-SFHVURJKSA-N 437.585 1.976 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2-c2nn[nH]n2)cc1 1586515796 DCIVAIFXWPGTBD-UHFFFAOYSA-N 426.234 1.869 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1587803780 NAHFMIAVRBTDLF-UHFFFAOYSA-N 429.613 1.825 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1587999123 QQRKDPAEJVBRNG-KRWDZBQOSA-N 447.465 1.849 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCn1cc([C@H]2CCOC2)cn1 1588245800 RFOLXPHFLRUMSS-IBGZPJMESA-N 435.532 1.264 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nnc(C)s2)CC1 1588752937 XNZGSMXSMSUIBJ-NRFANRHFSA-N 445.593 1.477 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2)CC1 1588923877 OUPUNUFCYFKTGC-SFHVURJKSA-N 440.935 1.897 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 1595602536 MTRCSKYYRLXVKU-INIZCTEOSA-N 434.541 1.879 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CCO1 1596632454 BNAJPERITPVXDI-KRWDZBQOSA-N 434.447 1.440 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(CC)n2Cc2ccc(C#N)o2)CC1 1614758999 OBTZXVZACJWVFA-UHFFFAOYSA-N 449.581 1.842 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1616222199 AUHQHCOYUHHNNT-DHIUTWEWSA-N 446.596 1.907 30 10 IDEE COc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1619303080 FSMFWWWBPUQIKP-ZTFGCOKTSA-N 426.477 1.434 30 10 IDEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1 1620451562 GSELUXGXZMGRAO-QGZVFWFLSA-N 437.562 1.435 30 10 IDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1628510824 NWLSQQPEEAQFOY-HNNXBMFYSA-N 448.463 1.876 30 10 IDEE C#CC[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OC 1629617812 ZKHGVMZNXVBDQE-TZIWHRDSSA-N 433.464 1.181 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3n[nH]cc3C(=O)OCC)C2)c1 1634177979 OQZHDUGCTJECJE-HNNXBMFYSA-N 432.502 1.680 30 10 IDEE C=CCOC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 1635159293 XYOMNIGKZKECDA-NWDGAFQWSA-N 436.939 1.415 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)n1 1637557389 HYSNOQGHGYQSTD-GOSISDBHSA-N 435.525 1.310 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOC2(CCN(C)CC2)C1 1639853765 SZJHQXLUVHKPGC-SFHVURJKSA-N 448.589 1.607 30 10 IDEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 1643516985 ZAISVJIFEZIAGL-UHFFFAOYSA-N 429.336 1.690 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCc2coc(-c3ccccc3)n2)CC1 1650846315 RBTCICRUEDAWLW-UHFFFAOYSA-N 434.543 1.187 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(Br)c1 1653703731 NULVJCXMHHIZQI-LBPRGKRZSA-N 426.741 1.914 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n(-c2cccc(F)c2)c1C 1655743698 GGUGEZNNKDPWKW-CJNGLKHVSA-N 447.536 1.900 30 10 IDEE C#CCC1(NC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CCC1 1682525566 CSJVFSGZDKZHCY-UHFFFAOYSA-N 434.562 1.392 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@H](c3cnn(C)c3)C[C@@H](C(=O)OC(C)(C)C)C2)nn1 1683315067 GXHDSQLPOHPOKR-HZPDHXFCSA-N 429.525 1.855 30 10 IDEE COC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(Br)c1 1683576312 QBIJOVVMNVZBDT-HNNXBMFYSA-N 448.277 1.537 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CCO2)cc1 1684841833 SMHLWZHXOYJECV-FGZHOGPDSA-N 427.549 1.438 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N2CCOCC2)CC1 1689835096 GBTWNUUUAPPOSG-QGZVFWFLSA-N 443.573 1.671 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1689989743 IFZFJVOJCICZPC-MOPGFXCFSA-N 444.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1690021328 QGXMVZDGSBYAJA-QURGRASLSA-N 432.459 1.607 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1690109522 VCEOTUGREJFZPY-IBGZPJMESA-N 439.564 1.943 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690110542 PXQKSTOEGNPVGX-MRXNPFEDSA-N 428.503 1.594 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690237309 XPIRSWXZDDYFPL-AABGKKOBSA-N 446.596 1.699 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1690300875 MLQWLXSQJZXBGI-KRWDZBQOSA-N 442.630 1.792 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1690671908 CANCIJUWMODZPX-OAHLLOKOSA-N 442.474 1.882 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)C1 1690686269 LEBQBVFLHBIRPN-HOCLYGCPSA-N 449.533 1.447 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1695405339 VXLKQPJGBKWZJZ-XMMQZVGTSA-N 443.552 1.671 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)CC1 1695930724 GSUZNLWNMOZNPG-HXUWFJFHSA-N 435.532 1.768 30 10 IDEE COC[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697745614 BTNJQAUXSSAXLP-NVXWUHKLSA-N 428.541 1.305 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1698483954 MBUNFKABLNYOBF-IERDGZPVSA-N 428.468 1.526 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705475405 RJWSBZCOFCBVAC-MWDXBVQZSA-N 440.614 1.234 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1705477590 PZZVSRRLCYQCFC-RLFYNMQTSA-N 436.557 1.788 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705565339 HSYOQEHKSMYKFN-LSDHHAIUSA-N 436.563 1.355 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)NC2CCCCC2)CC1 1705640788 GLVSCPYKRMNAIH-UHFFFAOYSA-N 435.576 1.858 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705694266 QAJFNNPIQJWZAX-IKGGRYGDSA-N 437.566 1.119 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1705700674 XFBYOYFJXJOWMJ-HKUYNNGSSA-N 446.577 1.711 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705794289 BQPNVFRAUJRJTR-MRXNPFEDSA-N 438.598 1.521 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705819937 XJSCABVCALJFPJ-CVEARBPZSA-N 430.596 1.550 30 10 IDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705888661 LOHOAAJTBXWJCL-SFHVURJKSA-N 440.504 1.915 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](COC(C)C)C1 1705898162 CMYHAAQZPTUWOO-MRXNPFEDSA-N 434.928 1.926 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705900336 ZBVDRGXKFQPKGJ-UHFFFAOYSA-N 439.480 1.532 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(CNC(=O)C(F)(F)F)CC2)nnc1C(C)(C)C 1705909013 ZXVQLPMXLLQRQP-UHFFFAOYSA-N 430.475 1.773 30 10 IDEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705913835 ZEEUKMNLALIHHC-OAQYLSRUSA-N 448.527 1.828 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705932310 AZYOGMUVYNNBPC-OAHLLOKOSA-N 447.517 1.195 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@H]1C[C@H]1C 1712556634 AFNDGLOECDVZCV-KYJSFNMBSA-N 428.541 1.823 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1722283801 JPXQSQDKCKUBMO-SZNDQCEHSA-N 428.924 1.798 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1722370612 PCVSWQUQCLPHGO-SFHVURJKSA-N 432.546 1.807 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCC(=O)NC)CC1 1722435932 RZAUKZJKBYEHRL-UHFFFAOYSA-N 440.548 1.634 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1722440574 KGQORBIZTRCIHE-ROUUACIJSA-N 442.589 1.840 30 10 IDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1722540069 ANMJEWIIXRCVJK-UWJYYQICSA-N 429.546 1.595 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1722603670 LAKXHXRDYYKHQR-JKSUJKDBSA-N 429.612 1.909 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722701694 AHDUJLNSOXVFNZ-GOSISDBHSA-N 437.504 1.136 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H](C)C1CCC1 1722726725 BHXLPLXENMLWII-DOTOQJQBSA-N 444.623 1.796 30 10 IDEE CCO[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728957734 DBJCGIQRRAERDR-YGKKUGEXSA-N 430.509 1.661 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1OC 1740602615 POYISGYUOSYPLI-IEBWSBKVSA-N 447.561 1.316 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740644034 RRJURHDGWFZCGJ-QGZVFWFLSA-N 445.520 1.351 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nncn1-c1ccccc1 1740688009 KJYKNSGCDGCMOM-UHFFFAOYSA-N 434.504 1.116 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1740691610 KBKDYBJEWZIMJH-UHFFFAOYSA-N 429.528 1.805 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1740701248 ZMRAIEBENRQYOA-QIJZPMMNSA-N 431.581 1.961 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCC[C@H]2C)CC1 1740705433 HAWOCPZBMDTBMO-LYHRCORUSA-N 429.565 1.689 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1740932766 VJEIIXPYFRJPMH-LJQANCHMSA-N 425.489 1.828 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCc1ccccc1 1741675707 JIOUDZUWYIWASB-HXUWFJFHSA-N 437.548 1.810 30 10 IDEE CCOCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1747317656 OMKIDOPIVCZDQD-QZTJIDSGSA-N 440.552 1.975 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c(OC)n1 1748806653 BMGLUKTWSWPFPV-DZGCQCFKSA-N 434.522 1.237 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1748809776 WASKBIKCEFPJND-SFHVURJKSA-N 425.514 1.480 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1748864560 ZHPUKPNRJXBKSM-HNNXBMFYSA-N 431.518 1.114 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1748891745 FEKHKAPVKUWNBJ-SFHVURJKSA-N 444.532 1.977 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)COC)CC1 1748979972 VFQIMVCVFSUBJX-QGZVFWFLSA-N 431.562 1.386 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2CC(F)(F)C2)CC1 1749015754 MBTZAUOMWYCHJX-UHFFFAOYSA-N 434.491 1.412 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C)COC2)CC1 1749020004 HWKPSVJAOAJHJL-ROUUACIJSA-N 431.537 1.004 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1749066600 LJRAATMSAPJREO-QFBILLFUSA-N 435.575 1.713 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N(C)C[C@H](C)C(=O)NC 1749083080 CCDHTSSPNKPSIH-NSHDSACASA-N 429.363 1.923 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1749117950 APHAVZFDQGHZNV-KEYYUXOJSA-N 436.538 1.420 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749391702 QYCKXNDKVLXSNI-ZFWWWQNUSA-N 439.542 1.514 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749396634 CLSOLQMBQNLSND-UHFFFAOYSA-N 426.569 1.779 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)C1 1749707351 DKYVFIPPPIHYLR-CEXWTWQISA-N 432.569 1.367 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749725519 WDZGBDPUAIJYSE-JXFKEZNVSA-N 436.534 1.832 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 1749729858 URWJEXLSRLSQEH-UHFFFAOYSA-N 444.483 1.625 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749730967 XGKXXTPHDIQXTJ-HXUWFJFHSA-N 432.550 1.212 30 10 IDEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)s1 1751865436 CGVVJZQTQNEIBM-HNNXBMFYSA-N 435.579 1.713 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760187973 MKBPSLINFFXOAO-QZTJIDSGSA-N 436.578 1.494 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1760219922 SKFCAUYGHXPCGY-RBUKOAKNSA-N 444.580 2.000 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1760249162 IPMSLSRLBQWDII-IBGZPJMESA-N 441.532 1.869 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)CC1 1760270180 SYLFYWQOEIDKJY-LJQANCHMSA-N 447.605 1.726 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760450828 UBSQNVHZKCTBAZ-DLBZAZTESA-N 444.540 1.297 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1)C1CC1 1760477244 UVKQBWOBURZIBR-INIZCTEOSA-N 438.579 1.579 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760520538 RDYKYJUSCUZCKP-OAHLLOKOSA-N 435.525 1.790 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C1 1760538949 WYXRKZFMKZPSJZ-QFBILLFUSA-N 428.555 1.145 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCSC[C@@H]1C 1760553942 MNKLVZOLYWAQON-ZDUSSCGKSA-N 439.563 1.548 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760557533 OLXVZIABNONXTA-UHFFFAOYSA-N 435.594 1.813 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1768587249 RDANADAXZQJVIR-IBGZPJMESA-N 438.532 1.927 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768794740 IDLAMLWUQWULMO-BSBNDGSWSA-N 437.504 1.729 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCOC1 1768995955 PBWVASNYJXHEQG-SJORKVTESA-N 439.289 1.639 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1=O 1769076484 AEDFBXACWZZUAJ-UHFFFAOYSA-N 440.895 1.557 30 10 IDEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)ccc1OCCO 1769853501 CYFIOEHMVGCIKI-KRWDZBQOSA-N 440.504 1.397 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1771368161 FQQVGWHFOJIFRQ-GOSISDBHSA-N 429.550 1.040 30 10 IDEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771480324 MICPPRUSQIJBEV-LSDHHAIUSA-N 441.565 1.359 30 10 IDEE N#CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1771533834 AQNBAFPGKMCNKQ-LJQANCHMSA-N 435.937 1.888 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 1849315195 UTRNGENBHABCJI-OAHLLOKOSA-N 444.488 1.783 30 10 IDEE C[C@@H]1C(=O)N(C(=O)COCc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854655526 HRNSZLRRDIZDEF-MRXNPFEDSA-N 427.482 1.523 30 10 IDEE C[C@H]1C(=O)N(C(=O)COCc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1855735532 NWADOVGUWQBYDX-INIZCTEOSA-N 427.482 1.523 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@H]2CCCCO2)CC1 1855838255 SARFRFCJTAOIJH-QGZVFWFLSA-N 431.514 1.986 30 10 IDEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871082537 MWGTZCMEKSXURR-UHFFFAOYSA-N 448.545 1.541 30 10 IDEE CCCN(CCC)C(=O)COc1ccc(/C=N/n2cnnc2SCC(N)=O)cc1OC 1874538170 QQNFQYHFIIVPKC-FOKLQQMPSA-N 448.549 1.774 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C2(CN)CN(C(=O)OCc3ccccc3)C2)[C@@H](C#N)C1 1891845543 KKSNBVYSEKGFRB-SFHVURJKSA-N 429.521 1.781 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1984989705 GESPQLOHFCASRR-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2010029746 UTBZRGLJRFFPSG-CABCVRRESA-N 439.509 1.826 30 10 IDEE CN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C[C@@H]1C#N 2010547472 XMEOCVGXLPUXRD-WMZHIEFXSA-N 427.549 1.822 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2020668621 LQSSFVHBXAPELI-BTYIYWSLSA-N 443.541 1.306 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243677832 ALVCFRDGEZIDJJ-SNVBAGLBSA-N 430.311 1.451 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](F)C1 2255605837 SGKWCOKCJZMNNG-OLZOCXBDSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620076 VRIPFADAMDNQSN-HXUWFJFHSA-N 438.309 1.788 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255624557 FZYAXRXYLRPWDC-OKILXGFUSA-N 434.346 1.752 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2255648227 KMSZNLXROFVXCW-GJZGRUSLSA-N 432.330 1.553 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)n1 2255649501 KKFOFPJTAJRMMW-HNNXBMFYSA-N 434.346 1.752 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255651782 ZTSIVXSTLPHNSR-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255695072 AQTHNQNYXVLZAA-FOLVSLTJSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2255770734 WJKDDMNLRKZZBN-ZDUSSCGKSA-N 438.305 1.740 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256620081 DVENYDFGJSHKAB-RHSMWYFYSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N1CC(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(=O)O)C1 2256921792 AQJVSFLAUXOFAM-UHFFFAOYSA-N 438.261 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267001160 HPXSRQJZMAMYBZ-IRXDYDNUSA-N 447.341 1.481 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267120595 MTGFCDIQIIIVHN-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCC[C@@H]3CN(Cc4ccccc4)CCO3)[nH]n2)OC1(C)C 2267141322 JAUBYTXCMPOMSP-GOSISDBHSA-N 440.353 1.730 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267193295 CNOXUBPXNDXUIL-KRWDZBQOSA-N 439.369 1.708 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267586923 QNUAHKURNJEUMB-ZDUSSCGKSA-N 441.259 1.912 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270600118 QHKYPJKHLUJLQJ-LBPRGKRZSA-N 442.247 1.449 30 10 IDEE Cc1scc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2303615215 GJRNNRCFJKQIIC-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2334311578 MPJFGENEAFDWHC-RBSFLKMASA-N 444.341 1.904 30 10 IDEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20292303 BKSZPSCASKDFEU-UFWORHAWSA-N 444.433 1.488 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(N3CCOC3=O)cc2)cc1 96349867 BVYOFAPIRNCWFF-UHFFFAOYSA-N 427.482 1.675 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1 105041386 COKILDOOEFLZHW-SFHVURJKSA-N 441.509 1.915 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 460935137 VBPRLQRUNYDTMI-KRWDZBQOSA-N 427.571 1.176 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 461330926 JFGNQSWEBSJHTR-UHFFFAOYSA-N 429.502 1.700 30 10 IDEE Cn1ccnc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1=O 467158375 LTFWYULDQZRRBI-UHFFFAOYSA-N 426.546 1.743 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(-c2ccc(F)cc2)c1=O 478741546 CHTVIKQQTOTDJU-CQSZACIVSA-N 438.484 1.270 30 10 IDEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1OC 489495965 KBCDKQRNKMKVOF-UHFFFAOYSA-N 444.513 1.862 30 10 IDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cn2)C[C@@H](C)O1 503398637 RKCTZPIYXYPUCO-LRAJWGHMSA-N 433.509 1.719 30 10 IDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C1 505748051 RHVMNMOENQDNFF-IEGUWTFLSA-N 434.581 1.897 30 10 IDEE C=CCn1c(CCC2CCCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508881577 QXIYURBWMAXBHF-UHFFFAOYSA-N 442.568 1.444 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)n1 513022995 CLXVSFBCLSVEJI-KRWDZBQOSA-N 432.415 1.743 30 10 IDEE CN1CCN(C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2)CC1 524405158 FAQOFNSIJIJDCS-QFIPXVFZSA-N 433.560 1.774 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccc2c(c1)CCC2 538497697 JWOCUPFPYOTNCP-UHFFFAOYSA-N 446.532 1.349 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(Br)s3)CC2)n1 544928150 OOPTZXZRLGXGIE-UHFFFAOYSA-N 434.319 1.856 30 10 IDEE COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(F)c1 574326386 NAXWMNIJZFPMCL-INIZCTEOSA-N 433.461 1.124 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@@H]1CCS(=O)(=O)C1 730213968 SAZJJKGTFFUXHP-OAHLLOKOSA-N 444.600 1.431 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CCN1C1CC1 735676143 WKBKNUFEPGFRSE-IBGZPJMESA-N 432.546 1.790 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1C#N 747447201 XZAJZDXELUPHJM-FQEVSTJZSA-N 433.468 1.733 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 751920637 BVJYKRHXEKQDAN-WBVHZDCISA-N 433.578 1.437 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(Cl)c1 751975388 WBGQTEDSIMIVCM-JTQLQIEISA-N 426.741 1.914 30 10 IDEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 752150814 QKDWJRIKRVVDQA-CQSZACIVSA-N 439.331 1.615 30 10 IDEE N#Cc1cccc(CS(=O)(=O)NC(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 753957479 PZSNPNKNZPMGPK-UHFFFAOYSA-N 425.466 1.971 30 10 IDEE CCCC[C@@H](ON=C(C)C)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 758055337 ZZEDVLJQCKQKTQ-GFCCVEGCSA-N 440.346 1.999 30 10 IDEE C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 758078194 JFMSZYUPLZUMIT-UHFFFAOYSA-N 425.473 1.332 30 10 IDEE C#CCNS(=O)(=O)c1ccc(-c2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)cc1 762278790 PNTOBCSRGCPBQM-UHFFFAOYSA-N 438.513 1.462 30 10 IDEE CNC(=O)c1cc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OC)cn1C 765226395 DDEYCZIOOYTXGG-UHFFFAOYSA-N 428.264 1.795 30 10 IDEE CCOC(=O)c1c(NC(=O)/C=C/c2cncc(C(=O)NC)c2)c(C#N)cn1CCOC 776814114 CUHJDIKZVRKFKI-AATRIKPKSA-N 425.445 1.589 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 780207310 WNXDOFODLCERSA-FQEVSTJZSA-N 428.466 1.802 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](O)c2ccccc2)cc1Br 788443101 SQPHXGROHMKMIN-CABCVRRESA-N 425.260 1.786 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)n1 788820485 GUHYVQYTOYDQHI-HSZRJFAPSA-N 437.500 1.267 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 797769443 CRYFRQXICPURNJ-RXVVDRJESA-N 430.482 1.590 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 818034616 PPMREOZKTCTNQS-CEXWTWQISA-N 448.589 1.606 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)NCc2ccccc2)C1 916887758 YLKLPUIDNQODRX-MSOLQXFVSA-N 444.513 1.717 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1137204887 PNDUGBYRMBGPQK-IAGOWNOFSA-N 429.583 1.261 30 10 IDEE C=CC1(CC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1139657640 IQVVYWYHPIGYOT-MRXNPFEDSA-N 427.567 1.826 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)ccc1F 1140665992 BLNFVICARAQFGJ-MRXNPFEDSA-N 429.477 1.970 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)c1 1149475956 OSWMRXPLIYVVJU-SFHVURJKSA-N 434.905 1.174 30 10 IDEE O=C(NC1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)OCc1ccccc1 1152080616 GTJREGCJFLLBBV-MRCUWXFGSA-N 426.473 1.820 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1152311810 MXUWZFKYWNYCQU-CQSZACIVSA-N 439.472 1.551 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C[C@@H](O)COc3ccccc3C#N)C2)CC1 1170093738 DZPLGKAVQLGUKY-VQTJNVASSA-N 430.549 1.925 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1 1175514602 AJDFZFOPMUTYOC-UHFFFAOYSA-N 447.586 1.193 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2nc(O)c3cc(-c4ccccc4)sc3n2)CC1 1192977429 XLAWGGHNLOAOJA-UHFFFAOYSA-N 443.554 1.649 30 10 IDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1251341340 AEXDWWIUWZRVCM-NXHRZFHOSA-N 441.484 1.645 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2CF)c1 1286311340 MIALPLOTVFSXAF-XYJFISCASA-N 445.520 1.767 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1C 1286396800 IEDCOBXGSKHUCH-QZTJIDSGSA-N 429.546 1.737 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1286451372 IRIWYZJVBDWLEJ-HNNXBMFYSA-N 446.533 1.353 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1286466893 KZTZQRYZBXNNKK-IRXDYDNUSA-N 435.550 1.162 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1286517781 VTDUWCOIJARTMJ-ZMYBRWDISA-N 437.591 1.850 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2CCOC2)CC1 1286664142 URCCCGPNOARQQM-ROUUACIJSA-N 439.582 1.440 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286667699 MABJHJPYOHUHAQ-BBWFWOEESA-N 441.598 1.875 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1286793602 HUWZABUYDGCWPP-GOSISDBHSA-N 438.532 1.829 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1286810858 WROCLJVBHOUUSH-QUCCMNQESA-N 441.532 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286817498 UNUCRYINBJZAQV-HXUWFJFHSA-N 433.509 1.401 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286832329 JYQGHBCFMJPISH-XOBRGWDASA-N 434.566 1.516 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1291802457 CBNGPUIUASVXKU-RDJZCZTQSA-N 442.520 1.996 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1300041629 SYUUHNXTZKIETP-NHCUHLMSSA-N 428.468 1.883 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCOCC2)cc1 1300295264 CGUQQTKEZYYHPR-IBGZPJMESA-N 443.504 1.526 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300412127 YDGZAEVDDFPVGY-KRWDZBQOSA-N 448.549 1.226 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1300458307 GYPVYJDSUQXLCD-GOSISDBHSA-N 431.562 1.238 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1300479922 VKHYEEHZULXVHT-OAHLLOKOSA-N 437.591 1.036 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300487438 JJQHRYDBKRNGBR-LLGFUMIMSA-N 431.562 1.461 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1300496629 SOOULIYCEUYSPB-DLBZAZTESA-N 426.608 1.942 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1300499585 VIRUIJFUVYHDNT-WIYYLYMNSA-N 429.546 1.460 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C1CC1 1300569399 JJGGBJQVBXOOAF-SFHVURJKSA-N 429.532 1.866 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)Cc1cccc(F)c1 1300635074 BRLMAEJPHDPAKW-UHFFFAOYSA-N 426.496 1.358 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CCSC2)CC1 1300719836 RTGTWXOWCSCPDB-OAQYLSRUSA-N 426.546 1.174 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCN2CCCO)CC1 1300724712 CHUMZAXYBHKYGJ-HXUWFJFHSA-N 430.597 1.289 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1300806217 RNFUPQQSFCZCNV-NSISKUIASA-N 437.566 1.172 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301403493 KGZHJYULNCWBIP-NQIIRXRSSA-N 446.529 1.519 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2ccc(OC)cc2C1 1301589659 VZVJPKJVMWZPJO-KRWDZBQOSA-N 432.546 1.954 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)C2)c1 1301634066 OBZVMQFWHLUVBC-UHFFFAOYSA-N 425.514 1.677 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1302229414 DOGHIVRIYCLBME-INIZCTEOSA-N 428.493 1.059 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302465233 LUVQEWVIQGWOND-INIZCTEOSA-N 432.506 1.099 30 10 IDEE N#Cc1ccc(Cn2c(-c3cnccn3)nnc2N(CCO)CCOCC(F)(F)F)o1 1302991772 NVWIYDPLMITXCY-UHFFFAOYSA-N 437.382 1.626 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1303790126 IIZFABHQVDZWJO-UHFFFAOYSA-N 425.501 1.579 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CCO2 1304827085 OFHYAJIXSSYORY-CWFSZBLJSA-N 437.518 1.044 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1304964084 IKIQMVQLQMZTNO-VPYQGPKWSA-N 427.509 1.380 30 10 IDEE CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N 1314533704 DIQPQAOQNAMKHP-INIZCTEOSA-N 446.581 1.625 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1315823163 DUJTWWUCQKWZBE-NVXWUHKLSA-N 437.497 1.337 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C#N)C1 1316352113 ZXIAXJHPGWRJIJ-AWEZNQCLSA-N 439.925 1.388 30 10 IDEE C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 1317742758 ZOSDMWRVQBFXLO-SAGYFLTASA-N 435.484 1.942 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2)NC(=O)NC1=O 1338277814 VBGNOHBGCDOIBU-XMMPIXPASA-N 446.511 1.640 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1358959600 MALOBXKQEVTHQJ-PGRDOPGGSA-N 446.573 1.668 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1359280694 BBBFEKNHKLQDGO-LJQANCHMSA-N 440.548 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1CC 1359294250 OYBCNQNDSZOBIK-KRWDZBQOSA-N 446.577 1.876 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)CCO1 1359446619 FPMUCFZXMFYWNA-TYCQWZJGSA-N 438.532 1.831 30 10 IDEE C#C[C@@H](NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N)C(C)(C)C 1436653880 KAMSZPAQVGUMRO-OAHLLOKOSA-N 449.552 1.111 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1442866567 QJRDEIRQMMHUDR-UHFFFAOYSA-N 429.274 1.948 30 10 IDEE C#Cc1cccc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1451442652 RHSYCJCNSWUBFW-GUDVDZBRSA-N 432.542 1.954 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455568481 ILGJMAVJSMROQB-OAHLLOKOSA-N 449.554 1.378 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C#N)c1Br 1460845210 GTQAKBMYXPSVQC-ZDUSSCGKSA-N 443.319 1.902 30 10 IDEE Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1462784097 ULLMMMOKRZOBHB-UHFFFAOYSA-N 429.424 1.832 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1 1464851577 ZHQYBXDEEXIOHA-UHFFFAOYSA-N 434.540 1.733 30 10 IDEE C#CCN(CC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)C(=O)OC(C)(C)C 1465726842 XYEWIWCRHRMALU-CQSZACIVSA-N 435.502 1.627 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)cc1 1467807127 AUFSIFJSSXLULD-WNSKOXEYSA-N 447.451 1.418 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)[C@H]2C1 1471264452 LPDOAPNXDMNQLD-NNZMDNLPSA-N 426.521 1.898 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N(C)Cc1cc(C#N)cs1 1472142902 JGHNHIFDEMXQGQ-QGZVFWFLSA-N 449.554 1.820 30 10 IDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 1473650586 AICLJUTVCQDOHO-QGZVFWFLSA-N 428.493 1.186 30 10 IDEE CCOC(=O)CS[C@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 1479165439 JTFVUGGDDJXXKG-CLMBFONXSA-N 438.428 1.039 30 10 IDEE CO[C@]1(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCOC1 1504052746 HNXANMDPZVOXIN-QFIPXVFZSA-N 425.537 1.875 30 10 IDEE COC[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1504599518 UPOMZNOOPURCTP-AABGKKOBSA-N 438.532 1.805 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(=O)(=O)CC 1507607114 IWTWJHYHXCGOBV-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1507670195 ZGZMHTIIAJLNLM-QGZVFWFLSA-N 430.505 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507732064 SFPWAIKLUWITIW-HXUWFJFHSA-N 443.573 1.152 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1508071168 BSCYIODTOPSRJV-UHFFFAOYSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1508085755 WEXAOVWLICRIII-UHFFFAOYSA-N 434.548 1.988 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1516043349 MPQJPDBAOKKPRX-RBUKOAKNSA-N 440.504 1.635 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1516856965 CPJQDFBALCXHRS-WTCFHCGNSA-N 442.589 1.742 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1516955580 FMFJBVJMALSGMM-VZCXRCSSSA-N 441.536 1.377 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517674373 VFKMTZXBURWRHZ-IAFNSTAXSA-N 430.509 1.392 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCC3(CC3)S2(=O)=O)cc1 1534003645 YLWCWHQRAYYUPD-UHFFFAOYSA-N 427.548 1.390 30 10 IDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1535552207 AKLLQUNAYTWZDI-CYBMUJFWSA-N 447.376 1.772 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccncc1 1539405605 FPOAXVHXROEZMZ-UHFFFAOYSA-N 429.488 1.645 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)C(=O)NC)CC1 1539461993 PXNGXHRXUQGGHR-UHFFFAOYSA-N 440.548 1.393 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1539512818 FVLZUCDIIFJJIV-MRXNPFEDSA-N 448.499 1.949 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539804431 VPKDNQVZJOFQHD-HZPDHXFCSA-N 439.973 1.983 30 10 IDEE Cn1nc2c(c1C(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)CS(=O)(=O)CC2 1540472430 NNGQYLHZYGDLHT-GOSISDBHSA-N 431.493 1.053 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540863608 ZIMKTWUKQIEAMS-MSOLQXFVSA-N 431.585 1.227 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1546769492 GTDKFKYNMHMZQM-QZTJIDSGSA-N 445.545 1.779 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccnc3)C[C@H]2C(N)=O)cc1C(F)(F)F 1548367571 QXSXIKCAOMXSAJ-INIZCTEOSA-N 439.419 1.337 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(Br)cnc2Br)c(=O)nc1O 1557602806 SHFJRBARXRUAOS-UHFFFAOYSA-N 443.055 1.171 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OC 1561641652 VBAUFWLGMNXNBC-INIZCTEOSA-N 428.532 1.013 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1562280284 PSGZGQBPVGGFRY-UHFFFAOYSA-N 440.485 1.363 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CN3CCCCCC3)cc2)CC1 1563791239 VLTNDZKKXXKJON-UHFFFAOYSA-N 447.605 1.357 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1568313681 VLPGFLMWGYFWFH-ZDUSSCGKSA-N 444.326 1.802 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)cc1 1584228366 PUZXTZFAPCFWAO-SFHVURJKSA-N 435.546 1.974 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1587852107 QAPWYVPKWYHZKR-ZWKOTPCHSA-N 448.593 1.473 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1588050964 YICBUCWHFHVQTI-KRWDZBQOSA-N 438.513 1.310 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1588065112 UPQYIEPJSLZCKH-SFHVURJKSA-N 444.557 1.923 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588144225 XHFMIMXKBXCQCT-SFHVURJKSA-N 445.976 1.877 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588733506 VUPXLOUSWIYHHE-PKOBYXMFSA-N 432.569 1.003 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588954618 IWOSGXMWAIRGHG-UZUQRXQVSA-N 429.565 1.517 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1593696509 RLVLDZJDLDXPEJ-QGZVFWFLSA-N 440.614 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595784050 AQWZXHOPKFVVDM-QGZVFWFLSA-N 427.534 1.668 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1597039451 NIGGCTGNNKXREB-QGZVFWFLSA-N 446.552 1.786 30 10 IDEE CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1=O 1618172060 YPFVPUCHVNHBJC-DBHNTLKXSA-N 429.542 1.950 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCOCC2)cc1 1619239327 ATXJKBHDLDZIHK-FQEVSTJZSA-N 441.532 1.732 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@@H]1C 1619937575 OYPRPMJAGAQSOO-RXVVDRJESA-N 440.548 1.779 30 10 IDEE NC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620361520 SQQCPYHQXDWRFA-QQMHEVNUSA-N 441.536 1.239 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1636007979 DAUIMOOINBXBDU-KSFYIVLOSA-N 428.489 1.399 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(NCC(F)(F)F)C3)CC2)cc1 1636563077 ZXOFDZJXROHVAF-UHFFFAOYSA-N 444.479 1.758 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)Nc2cccc(S(=O)(=O)Nc3nnn(C)n3)c2)cc1 1639451331 JSCWLHJKMSLVQA-KHPPLWFESA-N 426.458 1.697 30 10 IDEE C#CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CCC1 1645146834 QXTGABXSGDGQJP-UHFFFAOYSA-N 447.557 1.371 30 10 IDEE C[C@H](NC(=O)CNC(=O)CN1CCN(c2ccsc2C#N)CC1)c1ccc(F)cc1 1647748607 CIDOCSMQVREAPV-HNNXBMFYSA-N 429.521 1.874 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cccc(C(F)(F)F)c3nc2O)CC1 1650848714 GBKFLTGNUBLZDR-UHFFFAOYSA-N 442.419 1.185 30 10 IDEE CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)c1[nH]c(=O)n(C)c(=O)c1C#N 1651475113 CMGMWRPPQPLVSI-UHFFFAOYSA-N 425.470 1.382 30 10 IDEE C[C@@H]1NC(=O)[C@@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]1C 1654910191 HUMRMIHROZGXQF-SOUVJXGZSA-N 426.477 1.052 30 10 IDEE CC(C)N(CCCNC(=O)CNC1(c2cccc(C#N)c2)CCOCC1)S(C)(=O)=O 1659475715 NVTRVCOHGVRWLD-UHFFFAOYSA-N 436.578 1.330 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1666501832 HIZUKMLIILBPMN-UHFFFAOYSA-N 430.461 1.056 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[C@@H]1N1CCN(C)CC1 1668051445 BUDDLRWSFAOZIU-PBHICJAKSA-N 441.395 1.967 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C(F)(F)F 1672543023 ZBAPQZXIUKBLHI-VXGBXAGGSA-N 431.419 1.494 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(C)CCc1cccc(C#N)c1)CCS2(=O)=O 1676631790 DVYBXQIKAUXTDL-IDYZSHNDSA-N 433.530 1.641 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1685830237 SQDWMPPHGLAENN-UHFFFAOYSA-N 437.338 1.247 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689980854 YHFMNYBDRZYGET-HUUCEWRRSA-N 439.563 1.134 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1690104639 CHQZHNBLAPCTOJ-UHFFFAOYSA-N 434.537 1.919 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ncn(-c3ccccc3)n2)n1 1690108013 MEOKBCQICOQWIG-UHFFFAOYSA-N 431.504 1.698 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)nc2)CC1 1690117794 WCHJNTPFZKEXEK-UHFFFAOYSA-N 436.907 1.291 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)NCCC)CC1 1690144141 NFNCSZHIQUCCHX-UHFFFAOYSA-N 437.548 1.531 30 10 IDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690172585 JPZLUZNEXLXIOI-UHFFFAOYSA-N 430.578 1.183 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1690642468 QPCGOMBHIPXSLO-CABCVRRESA-N 430.513 1.218 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1690670529 DFCTYURRUKDARP-IBGZPJMESA-N 440.548 1.415 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1691477557 VUSSJQOODQYXMR-KRWDZBQOSA-N 427.465 1.744 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCC1 1698165031 MMFSDGDBUIXWSJ-QGZVFWFLSA-N 441.536 1.510 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1698317224 DPORQQSBJZNDOA-FUHWJXTLSA-N 430.534 1.657 30 10 IDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCCCN2CCOCC2)CCO1 1698493528 SSXQAGPQHJDELI-NRFANRHFSA-N 440.548 1.741 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1705489520 QOLIOILIAYZILY-BWDFOLQRSA-N 427.553 1.406 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1705570758 QQFBWSLOLDWPAT-SFHVURJKSA-N 429.546 1.196 30 10 IDEE C=C(Br)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1705691571 HZEOBIVIRFKRFK-AWEZNQCLSA-N 431.294 1.949 30 10 IDEE C=C(C)COCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1705740702 UIZPGDMOKPPSSG-SIKLNZKXSA-N 430.553 1.699 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCOCC2)CC1 1705763237 QVLTTWZMWRONKJ-SJORKVTESA-N 426.587 1.013 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1705902901 LZTXICJQYRPPJD-LJQANCHMSA-N 426.521 1.854 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1705906457 GDMLLMMQKZQFOK-GOSISDBHSA-N 447.503 1.464 30 10 IDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 1711550197 GWXXHFYKCAKYKC-SFHVURJKSA-N 430.534 1.323 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1722291275 DLEHINUWDYVSAT-OAHLLOKOSA-N 435.532 1.955 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1722360401 GWJVUTMOVBUMDT-HNNXBMFYSA-N 430.490 1.083 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@@H]1C 1722374718 CKNGVCKUWNJSNH-JTSKRJEESA-N 426.542 1.973 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2ccnn2)CC1 1722442199 PFSAVYIWPFNOJY-UHFFFAOYSA-N 440.939 1.948 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCO2)CC1 1722443132 CZXPDZQZQAQIEX-CVDCTZTESA-N 445.564 1.465 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1722446553 DAOHMZLJBKKFDE-SFHVURJKSA-N 425.489 1.409 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722530951 DZARWXXWZURZCW-UHFFFAOYSA-N 434.566 1.793 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722691006 NVLMVFRZLXZNDU-JKSUJKDBSA-N 444.511 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722695456 DFGCHNZHVLZIEJ-AWEZNQCLSA-N 444.883 1.565 30 10 IDEE CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1723431315 LIIOQEGVSAYOGU-CZIZESTLSA-N 443.552 1.911 30 10 IDEE CC1(C)C[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1724018842 BUISDMWZCWLOQR-LBTNJELSSA-N 426.518 1.099 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC(=O)N1C 1726672295 QNKZSWQIQFYDTL-MRXNPFEDSA-N 435.532 1.790 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCOC)CCOC1 1728814115 CSZYOWNRTCGBFC-QFIPXVFZSA-N 426.521 1.775 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCSCC(F)(F)F)CCOC1 1728818906 TVMHCAPEZNVEQP-CJNGLKHVSA-N 435.472 1.954 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1729408293 BLUPIVPLOOPFHZ-SFHVURJKSA-N 442.545 1.562 30 10 IDEE COCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730678561 WJJNYRLKKOXALL-KRWDZBQOSA-N 428.541 1.449 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1COCCO1 1740652486 AXMBTMOVDIWOKT-KRWDZBQOSA-N 442.545 1.117 30 10 IDEE C#CCSCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723454 QCXOIADZYSJNKJ-RTWAWAEBSA-N 433.578 1.402 30 10 IDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O 1740806865 HFFJHMSFJPZEOW-UHFFFAOYSA-N 427.914 1.454 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740884430 AOSMSBFSFDLJNX-RXVVDRJESA-N 441.580 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](COC(C)C)C1 1740991602 ADSKSYFQGBLYCN-SJORKVTESA-N 428.555 1.013 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1741130573 AGRAHLUQBAJAHB-HOTGVXAUSA-N 433.534 1.860 30 10 IDEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1741259613 OMXVYMOKNBXOLH-VLIAUNLRSA-N 438.504 1.799 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)C1 1741990565 FHVIUOULBWLQBV-NRFANRHFSA-N 444.561 1.733 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)CC1 1746458381 GUBIDQQGQRFXFM-RTBURBONSA-N 430.601 1.384 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748383597 CWPHAWCMLHAUMC-GOSISDBHSA-N 437.548 1.596 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748811033 AIDBPFCLQYYVHO-ROUUACIJSA-N 443.577 1.094 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1n[nH]c(C)n1 1748824862 KYNSTFZBVZAZTM-UHFFFAOYSA-N 436.907 1.604 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)cc2OC)CC1 1748991090 PWEWKBWGHQBOEJ-LJQANCHMSA-N 425.533 1.993 30 10 IDEE C=C(Br)Cn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1749112940 SDBRWMYGNOGDRY-MSOLQXFVSA-N 443.342 1.835 30 10 IDEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C(=O)NC)C1 1749281449 CPGYJHICGYNFSX-KRWDZBQOSA-N 435.912 1.960 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1749457295 IXWGPJHKKIAPHT-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749672052 OLQCKWAMYBTBDN-LSDHHAIUSA-N 437.541 1.568 30 10 IDEE COCCCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1749741872 OHXBNGJEADRKGA-RBUKOAKNSA-N 440.504 1.422 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1750153765 WZMINOZVKPQCKY-OTWHNJEPSA-N 432.569 1.995 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN(CC)S(C)(=O)=O 1760169885 HIMZRUGDHAGHTM-UHFFFAOYSA-N 441.561 1.872 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760190959 XUOYWFKZSDSLHK-ZWKOTPCHSA-N 434.587 1.984 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCS(C)(=O)=O)CC1 1760260534 WICJCKKRHKTOHJ-UHFFFAOYSA-N 440.529 1.400 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1760262384 XABICBBDWKLIRH-AQNXPRMDSA-N 449.621 1.531 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cnn(CC)c2)CC1 1760268171 DTXYIUUQKXHKNV-UHFFFAOYSA-N 432.532 1.879 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1760374046 HMNVLHKAXBZNDV-DLBZAZTESA-N 446.017 1.870 30 10 IDEE Cc1c(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)cnn1C 1761619890 RQTHWNIMOASDRB-UHFFFAOYSA-N 442.549 1.434 30 10 IDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763223589 JBPYOMNHYMXLJT-SKOAFDGASA-N 441.536 1.665 30 10 IDEE CC[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763350395 ITXPNPYFLYQHJW-JTSKRJEESA-N 443.552 1.756 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)CC)cc1OC 1767548450 HQRGVPALPOJJIV-INIZCTEOSA-N 428.493 1.559 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1769267277 PZYKOUNLGFMCQF-RDTXWAMCSA-N 425.461 1.775 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCSCCCO)CCO1 1770748324 YKDYTNHTUQUXQV-CYBMUJFWSA-N 441.355 1.880 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1771111523 OAJKBSKUYUHJME-SFHVURJKSA-N 440.504 1.689 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(=NOCCN1CCCC1)c1cccnc1 1853584250 ZNHLNCZIHQXWDI-UHFFFAOYSA-N 446.529 1.929 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)C(=O)C2)C1 1853728812 BDOPYZPOQQHCIR-GOSISDBHSA-N 428.924 1.774 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cc(-c3cccs3)on2)C1=O 1854218625 IOOBLELDUIXUCJ-HZPDHXFCSA-N 428.514 1.792 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)C1 1854467888 IYWXRLQJJKTTHD-KRWDZBQOSA-N 443.928 1.879 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCCCCC2)cn1CCOCCO 1870498303 IANAETZLINPLHY-UHFFFAOYSA-N 447.576 1.813 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccn1C 1874435873 BZBUPFUASULPFL-FSJBWODESA-N 425.518 1.543 30 10 IDEE COc1cc(N2C[C@@H](CNS(=O)(=O)c3ccccc3C#N)OC2=O)cc(OC)c1OC 1891577585 WTVDEVZAFSCCCQ-OAHLLOKOSA-N 447.469 1.888 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060639238 FUICUCSFZHPWPB-ZSEKCTLFSA-N 430.314 1.971 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2247802426 QTXDIMKPPQZBIB-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248441035 KJBREKTXBJCFRB-GFCCVEGCSA-N 441.359 1.334 30 10 IDEE Cn1cc(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255613803 FNWAFSWXAKRRED-UHFFFAOYSA-N 436.318 1.344 30 10 IDEE Cc1ccc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255675715 FRUHVTSLOVJDGA-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255855257 LXJARFFMDMDMFB-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2257643523 UPTOKHSHSXKCAS-AWEZNQCLSA-N 438.330 1.927 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001591 MZFAVLUJCHKQRS-HUUCEWRRSA-N 446.357 1.862 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H](C)CN1C(=O)OC(C)(C)C 2267265314 DLJKSENWELDJFD-KBPBESRZSA-N 449.361 1.584 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2267276012 WODNBZGYHVOPGA-HNNXBMFYSA-N 447.341 1.435 30 10 IDEE COC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267870495 FFKOGXSRWVURNZ-UHFFFAOYSA-N 448.329 1.142 30 10 IDEE N#Cc1cccc2c1CCN2S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286027812 DRIQZYRNMVEGFI-QGZVFWFLSA-N 429.454 1.630 30 10 IDEE C=CC[C@@]1(CO)CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2287691726 CIJJNGUNWAGLLQ-XLIONFOSSA-N 440.518 1.489 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1C 2315684510 OYULIVNAFXYUOB-KGLIPLIRSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319668803 JTJWURJNXDAQMZ-VWEBPMOJSA-N 440.346 1.412 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@@H]21 2334263864 PPNZDIBFUHQJOA-XHSDSOJGSA-N 444.341 1.904 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)cc1 20833238 IRGPORLGXQEWNW-AWQFTUOYSA-N 449.493 1.768 30 10 IDEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2O)n1)NCc1ccc2c(c1)OCO2 58994232 KBUZLOAYRONLCN-ODCIPOBUSA-N 442.457 1.799 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)ccc1C(F)(F)F 409500699 KFTZBTGEVSSDSC-UHFFFAOYSA-N 437.465 1.812 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C 440375954 FPYHDPRNFCFRFN-UHFFFAOYSA-N 448.504 1.328 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 460812134 WQDQEBDCPOQSJK-IBGZPJMESA-N 447.561 1.758 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)c1C#N 460887121 YNLIOXYPHHKLBX-QGZVFWFLSA-N 425.518 1.745 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466099980 FHEFHIHHDUGEFR-UHFFFAOYSA-N 447.517 1.648 30 10 IDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccn1 474210095 SDFQYMCXYIBFCN-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCN1CCOCC1 474363961 SDAGKEFNGDKUIT-KRWDZBQOSA-N 440.569 1.064 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 482564306 VRXNIYPAUHQVLJ-AUUYWEPGSA-N 444.488 1.281 30 10 IDEE COC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 500309810 DGEJFKSIUYZDIH-HXUWFJFHSA-N 441.509 1.989 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)n(-c2ccc(F)cc2)c1C 510691469 SNGDGXWGNYJTQY-KRWDZBQOSA-N 433.509 1.796 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)s1 532756258 MPEFOIAIYFUSTB-CYBMUJFWSA-N 430.551 1.889 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)c1 538496345 FENQOGHSFLIEHC-UHFFFAOYSA-N 448.548 1.698 30 10 IDEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 543183373 KWBDQCPQXTVZNR-GOSISDBHSA-N 444.469 1.953 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 554932499 VYRXSJVZUJTLDP-GOSISDBHSA-N 442.520 1.840 30 10 IDEE COc1cc(CC2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)cc(OC)c1 571692152 GGDNZAURYFFIPQ-UHFFFAOYSA-N 429.498 1.555 30 10 IDEE C=CCn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccoc2)c1=O 727416841 PQRQFKFCQMIFQE-UHFFFAOYSA-N 435.461 1.602 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 734268828 CTWQKDOVQUAGJA-ROUUACIJSA-N 447.555 1.569 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 734293939 ULOIAOBOTGPPGH-UHFFFAOYSA-N 441.918 1.889 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC(=O)N2C)cc1 734963035 AUMXRRLGBSPMEY-ICSRJNTNSA-N 427.482 1.732 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 743916959 BFIKSQGKWLWYHQ-VHEBQXMUSA-N 430.436 1.728 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 747122176 XZYOHXZKKHTMOM-UHFFFAOYSA-N 429.502 1.631 30 10 IDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748775771 XKOISIQBKZQQEG-OAHLLOKOSA-N 434.562 1.515 30 10 IDEE CCOC(=O)c1ccc(N2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)nc1 751218458 GHINYLZPFRHUHM-UHFFFAOYSA-N 429.502 1.494 30 10 IDEE N#C[C@H]1CN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCN1C1CC1 757049562 NJEPFWONUDPIEA-IBGZPJMESA-N 449.552 1.751 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)C1CCCC1 757439381 VAGOSIRYGDOOAW-UHFFFAOYSA-N 436.530 1.743 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 758082072 APQUWFDETQDCRY-VQIMIIECSA-N 445.548 1.389 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ncc(Br)cc1Br 759852894 LDQRRGBDKROVQI-OWBHPGMISA-N 444.083 1.863 30 10 IDEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)[C@H]1CCS(=O)(=O)C1 774261566 ANADEXFCHZBOIC-GBESFXJTSA-N 439.965 1.544 30 10 IDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccc(C2(C#N)CC2)cc1 777143305 BIFGBCCJEAGQDA-UHFFFAOYSA-N 429.498 1.958 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)cn1 784125204 NMXOFPKASPBTTJ-WBVHZDCISA-N 436.582 1.329 30 10 IDEE Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 786538699 BFNMUUYLYFFTGD-UNMCSNQZSA-N 444.491 1.796 30 10 IDEE Cc1cc(C)c(N2CC[C@@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)c(C)c1 788786469 ISYPOFIFQDSGGA-IGGDJGDASA-N 425.489 1.543 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)CCN1C1CC1 797532125 FKELIGBEOQDRSU-SFHVURJKSA-N 431.924 1.309 30 10 IDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)c3c(F)cccc3S2(=O)=O)CC1 799315408 FLOOQCYWLGCKRE-QGZVFWFLSA-N 442.472 1.379 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807934893 OHPSPJHHYUEXFT-CJNGLKHVSA-N 434.543 1.451 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccc(C#N)cn1 808754587 OOXUHVKFEREGAX-UHFFFAOYSA-N 443.529 1.218 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 809890070 SPGCDYLFGUGLKM-QVKFZJNVSA-N 434.541 1.735 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)CC2)c1C#N 811389690 HTVAKFCOYKXZKZ-CYBMUJFWSA-N 430.431 1.704 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3COCCO3)n2CCCOCC)c1 812188904 NOUCBETUQHQNBQ-IBGZPJMESA-N 427.505 1.849 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COC(=O)CC3(C#N)CC3)cc2)C[C@@H](C)O1 815414005 MYKNLOWLIOSEHO-GASCZTMLSA-N 435.502 1.660 30 10 IDEE C[C@H]1Cc2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)ccc2N1S(C)(=O)=O 916178173 NHDJGBWJELBHDX-ZDUSSCGKSA-N 433.511 1.529 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1132080251 FMDMWTCREJWJIU-AEFFLSMTSA-N 426.542 1.609 30 10 IDEE CN1CC[C@](Cc2ccccc2)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 1138108387 NDCUVKYYUBQNPR-STSQHVNTSA-N 426.517 1.953 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)cc1 1141564483 ZEUYQYDRAKKXAN-UHFFFAOYSA-N 427.482 1.923 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)[C@H](O)C(F)(F)F)nnc12 1161719333 DTFKPYCOKDYNQN-YGRLFVJLSA-N 441.435 1.750 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1164659685 PUFLWFRNLHTFGS-MSOLQXFVSA-N 442.541 1.613 30 10 IDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@H](O)C(F)(F)C(F)(F)F 1175873994 SQWMSHJXRMXSLT-KWQFWETISA-N 426.260 1.293 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2Cc2ccc(C(N)=O)nc2)c1 1286310307 SLINZJUUUPEVOH-UHFFFAOYSA-N 429.484 1.754 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)C(=O)NCC)CC1 1286490168 HTRHTCFWONNHFG-GOSISDBHSA-N 444.580 1.648 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1286548240 SBWWQPPIRXGPSU-IEBWSBKVSA-N 444.580 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286780150 QCIULZPMFMBYMO-ZDUSSCGKSA-N 425.942 1.770 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 1290342095 COKVBOKQQXUUMA-LAUBAEHRSA-N 442.541 1.368 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1296615807 XFKACLIRWKZMAK-VQIMIIECSA-N 435.506 1.066 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1300382109 ZJJJSPWQWKMCIA-INIZCTEOSA-N 428.924 1.977 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1300430084 HANANBSSPSGPMN-CABCVRRESA-N 440.570 1.357 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1300671176 DNEZFLSGWKUVQS-INIZCTEOSA-N 435.431 1.258 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@H](C)OC)n2)CC1 1300680964 HXMFTIRQZWPFEP-INIZCTEOSA-N 443.577 1.482 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCOC2)CC1 1300719394 ZEFSXJPSDBEBJF-HSZRJFAPSA-N 439.516 1.071 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300862589 AQVYLUQFCPWNDN-GGPKGHCWSA-N 444.580 1.990 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300952349 SJYFRZIJWCJVSY-SJORKVTESA-N 441.598 1.971 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1301259727 PYCWWRWIOICWSS-UHFFFAOYSA-N 444.515 1.249 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@H](C)O1 1301358755 DEBKNHHLUVFCIQ-BPXKWBHBSA-N 427.505 1.862 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncn(C)n2)C1 1301566532 QFBQHCCMYICCIZ-AWEZNQCLSA-N 428.522 1.228 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)cc1 1302611407 UAXIUFFKMKCINO-OAQYLSRUSA-N 441.553 1.537 30 10 IDEE CC1(C)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCS(C)(=O)=O)C[C@@H]21 1303950830 JINNSQFWOQZWCC-ROUUACIJSA-N 429.546 1.970 30 10 IDEE Cn1nnc(NS(=O)(=O)c2cccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)c2)n1 1304119115 XHAMLRRGWULIFS-YFHOEESVSA-N 430.421 1.371 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1314643611 PIVSZAAQZGSKDH-UHFFFAOYSA-N 448.575 1.289 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@H]1C 1316124865 BEYUDAMJVCYFFX-GOSISDBHSA-N 439.564 1.888 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1358976724 OGIVIJYAWHZTRX-UHFFFAOYSA-N 444.495 1.737 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1358987033 POLJFQDHGSJPJJ-LJQANCHMSA-N 431.338 1.565 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1 1359090524 CEBUDYOVLGEKNO-PVAVHDDUSA-N 427.571 1.078 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1359150694 DPPUQZWFLCNPGZ-KRWDZBQOSA-N 444.001 1.481 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1359202831 CNDLYCBGJYFZCG-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359212120 AMKWKEIIGXMMTI-UHFFFAOYSA-N 426.496 1.978 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1359308273 JHLQQJUKHWXJGB-IEBWSBKVSA-N 443.529 1.522 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359336360 NDFKNTOLWRXBAA-DLBZAZTESA-N 425.555 1.035 30 10 IDEE CCS(=O)(=O)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1437905929 RUOZMHUUQWTUIH-UHFFFAOYSA-N 439.559 1.042 30 10 IDEE C#C[C@H]1COCCN1CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O 1460224782 YEIHYVWXQXTPMT-NFBGKYEXSA-N 443.525 1.572 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C3)CC2)o1 1460775437 VOQMAUFQALEMHN-QGZVFWFLSA-N 446.552 1.738 30 10 IDEE Cc1ccc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1464652792 HVSQWDWCSKSLLM-SFHVURJKSA-N 429.370 1.611 30 10 IDEE COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1466413253 AKUYRXUUEYDUPE-DOTOQJQBSA-N 436.306 1.936 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1503356880 BNBNAYWZLGFXPO-UHFFFAOYSA-N 440.548 1.910 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCSC)CCO1 1503783077 OIYSPFHLEYJSBC-SFHVURJKSA-N 444.561 1.823 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504604790 KPNZTFZDSLIEIB-LZLYRXPVSA-N 444.515 1.881 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N1CCSCC1 1507542667 RVACEOMJFFFPRD-HNNXBMFYSA-N 439.632 1.767 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507629511 NCSQDZCUIQNOLS-QGZVFWFLSA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507630968 KEYLUVUYNQAFCK-PKOBYXMFSA-N 445.593 1.037 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507635800 VRSCCXVSGPDZFG-MOPGFXCFSA-N 445.589 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[C@@H]2OC)CC1 1507738790 YTEICLVNKAEEMW-MJGOQNOKSA-N 425.537 1.460 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1509846553 FOUOYWQJCQGRSG-QBEKEKFNSA-N 444.536 1.387 30 10 IDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1518547868 DWRAMEPDSUPQDM-SFHVURJKSA-N 438.513 1.892 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)CCS2(=O)=O 1537447966 MZDCYIZBYPBKKW-TZQQIIETSA-N 434.514 1.731 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1539201916 CRPUNXJMLWFURB-JKSUJKDBSA-N 442.607 1.170 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1539210103 AQBBZLQXHIZBPD-OHZJNBGDSA-N 438.550 1.480 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1539368633 ABVGVSKAEKNNBT-MRXNPFEDSA-N 427.571 1.133 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1539489237 JIAVHEZRMNJHJG-UHFFFAOYSA-N 443.552 1.741 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1540862846 KNMWZWBSNDDHEK-CQSZACIVSA-N 440.483 1.780 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1540868968 XWTRBGQVWKYTSF-KRWDZBQOSA-N 437.548 1.886 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1540870242 IAUUJXGCLPSRBH-IRXDYDNUSA-N 432.569 1.605 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1540870507 PDFNWIIXQXVOCB-KRWDZBQOSA-N 426.521 1.507 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540902549 LWYNLIHPRKUQQH-HRCADAONSA-N 448.611 1.031 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1540906915 GPWNFVKQINWIQW-KRWDZBQOSA-N 447.561 1.468 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(S(C)(=O)=O)CCCC1 1543317680 BYPGBNUXABPNAK-HNNXBMFYSA-N 444.565 1.321 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 1544028633 WBUDJEOROOTSPF-XLIONFOSSA-N 439.516 1.380 30 10 IDEE CO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555783771 DZJSTJNOJKIJBI-VEGAHXMMSA-N 436.516 1.815 30 10 IDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1557383535 ALYYBMSFVBEFHT-LJQANCHMSA-N 430.486 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)C1 1560193655 IASPBBJSNUOQOE-CPLUKWAASA-N 425.551 1.273 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1565622007 UQHNXUPDUNKFDA-UHFFFAOYSA-N 429.521 1.237 30 10 IDEE C#CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CC1 1585875888 FKZVIUUUVNVVAG-GOSISDBHSA-N 431.558 1.942 30 10 IDEE C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1586715871 RXMAWBJSZUAMRY-DZGCQCFKSA-N 429.336 1.757 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NOc3cccc(C#N)c3)CS(=O)(=O)[C@H]2C1 1587208873 RGMLEXKZIWVRBK-UAGQMJEPSA-N 435.502 1.638 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1587638837 HOHKDSBCQFKMFJ-APWZRJJASA-N 447.561 1.516 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587945660 NRHAMBZEWNSFLZ-QFIPXVFZSA-N 446.573 1.989 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(OCCOC)CCOCC1 1587959091 YSTWXJLDLKSNKJ-UHFFFAOYSA-N 428.489 1.955 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1588034323 DDUQKRZDWQYYDQ-HXUWFJFHSA-N 429.546 1.098 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1588064835 QBNPJPULOXXMML-FQEVSTJZSA-N 436.541 1.528 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC)nc1 1588200244 IVNTZTPNABWYPI-UHFFFAOYSA-N 439.483 1.836 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCCCCC2)CC1 1588848682 KVLPESQGRNEYIV-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1589134530 MXYQUJLEZUQLRT-FDDCHVKYSA-N 443.596 1.351 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1 1595477401 UHUGZHWMRHJJGF-HNNXBMFYSA-N 444.511 1.951 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1595576873 ABXVZHQLZRGSBA-UHFFFAOYSA-N 428.537 1.819 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CSCCS2)C1 1595721979 IFBKYIKUUJPDSW-ARFHVFGLSA-N 444.648 1.810 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCNC3=O)cc2)ccc1F 1596419018 BZJYEBPCBOYWMA-UHFFFAOYSA-N 432.477 1.750 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1596865626 BJDSVLZCVCBISL-GJZGRUSLSA-N 444.561 1.601 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1597950895 PAESWRQEPSBTPG-NSHDSACASA-N 437.399 1.936 30 10 IDEE Cn1c(=O)[nH]c(N2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1612462032 OPUGFYRSIZYVTG-DOTOQJQBSA-N 443.479 1.972 30 10 IDEE C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1613104351 DHORXMVDVDXAKQ-QFIPXVFZSA-N 432.392 1.661 30 10 IDEE COC(=O)[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(C#N)cc1 1613359023 JOBXFMAWZXAGJT-GOSISDBHSA-N 433.511 1.981 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1619546831 FSCLVMBNBUOVCX-UHFFFAOYSA-N 431.500 1.749 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@H]2C(=O)NCC23CCOCC3)n(Cc2ccccc2)c1C 1620616916 NXSHKOJXXGIBAV-NRFANRHFSA-N 435.528 1.848 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1631607252 FCAHEKUOIZZLNZ-KBMXLJTQSA-N 434.518 1.445 30 10 IDEE C#CCC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 1633140632 HLVPMADAWSNZKH-IBGZPJMESA-N 448.317 1.593 30 10 IDEE COc1ccc2nc([C@H](C)NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)[nH]c2c1 1639156501 UJWJSJGYLZMPHU-LBPRGKRZSA-N 427.486 1.878 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)cc1 1642512092 NQUIKXWHMOQDGQ-UHFFFAOYSA-N 427.482 1.349 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n(Cc2ccco2)c1C 1644411442 GCUONUYFWNMCNU-DLBZAZTESA-N 430.530 1.923 30 10 IDEE COC(=O)c1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1Cl 1645139672 MBJCIURZSWDCFP-NSHDSACASA-N 436.877 1.376 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1645274221 NNRWQYFMDBCJLP-APWZRJJASA-N 434.518 1.352 30 10 IDEE CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n[nH]2)c1C 1648155266 CBBGXUFLVKCWFU-UFAGZECESA-N 430.534 1.871 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1648999930 QLJJGLMQMBDGPV-AWEZNQCLSA-N 435.502 1.018 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1649680226 BBFRSRBRHXKUNC-LJQANCHMSA-N 449.508 1.885 30 10 IDEE C#CCN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1655587240 UCXXBHSFMPAVMN-GOSISDBHSA-N 441.528 1.978 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)C1=O 1678834294 JNCNEKRSCVIWTN-MRXNPFEDSA-N 439.438 1.892 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1687642497 ABVQPQNZZIYKEU-UHFFFAOYSA-N 447.970 1.101 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1689937363 XVGNIDGUENQTEO-MSOLQXFVSA-N 442.589 1.840 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(CC)c1 1689972534 SBQKACVAFHCDKD-UHFFFAOYSA-N 432.576 1.977 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689979886 IVYYKWIACPAEIU-BHIYHBOVSA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1689986661 URQOTUVQFMLUNR-QGZVFWFLSA-N 438.513 1.419 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1689992239 IOIVUGJHVPAAJV-SFHVURJKSA-N 425.514 1.840 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)CC 1690037185 PBNVMZGRQVPRLY-MUUNZHRXSA-N 432.571 1.580 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1F 1690093469 AEAOJOKJZQYSLY-CYBMUJFWSA-N 443.932 1.815 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2nc(C)cs2)CC1 1690109676 ZWLAWIKUPUFJEP-INIZCTEOSA-N 427.578 1.838 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC[C@H]2CCCO2)CC1 1690129195 QKWXUPPEULIUNQ-HXUWFJFHSA-N 444.605 1.975 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690179121 NJYKTDUTPWSERC-FQEVSTJZSA-N 426.590 1.931 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1690619976 LAHVLKGEQWEVLK-UHFFFAOYSA-N 434.566 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1690671096 OWZWFXQGLGEAIA-IPMKNSEASA-N 446.596 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690720979 WQUNXPYUPACWJF-HNNXBMFYSA-N 428.518 1.084 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(C)C)CC1 1690723909 CXIIFUDBJOKNCU-SFHVURJKSA-N 425.599 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1690729064 FVTGHQZWLRYKBJ-NRFANRHFSA-N 447.561 1.468 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1693749931 VAGYSSHVQQRQLX-GOSISDBHSA-N 437.548 1.596 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1695915554 ICTOEYLHZFHYIA-INIZCTEOSA-N 436.582 1.473 30 10 IDEE COCCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1 1698007621 KSQWMVPKZNCCNJ-HXUWFJFHSA-N 437.504 1.871 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CCOCCCO)cc1 1698487108 AHCZKTOXIGCKCM-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1705474116 CMQZMHQZYSCJPA-GDBMZVCRSA-N 449.964 1.754 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1705531312 FNGAPZUVFZACQF-UHFFFAOYSA-N 441.517 1.089 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1705597996 XZAKKLVBTCDLKK-LJQANCHMSA-N 443.529 1.193 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@]2(C)CCCO2)n1 1705631927 SKJWUDQQQVRRGM-QFIPXVFZSA-N 438.536 1.730 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCN(CC)CC)CC1 1705638334 HAZPXOKDIQHYCD-UHFFFAOYSA-N 427.553 1.493 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705652693 JGUTVPADLOQWQM-MRXNPFEDSA-N 434.610 1.914 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705654565 MUKYMDDFGGZEBE-UHFFFAOYSA-N 431.525 1.840 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705662551 CIKXNWGARXWBDZ-KRWDZBQOSA-N 434.587 1.867 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNS(C)(=O)=O)CC1 1705776715 NRSTXTXJOJPLRA-IBGZPJMESA-N 427.571 1.270 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1705918279 GERLQHRUYVFCLQ-FOIQADDNSA-N 436.509 1.415 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@H]2C)C1 1705924924 HPIRTSGKMJBRQD-VQHPVUNQSA-N 425.555 1.048 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](SC)C1 1705927537 AGHOQTSDPKIYSF-INIZCTEOSA-N 441.623 1.837 30 10 IDEE Cc1noc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1707929261 GJEKNXWNZSNLTI-CQSZACIVSA-N 435.554 1.866 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1711975624 IAMYUNNGMURXAA-QFIPXVFZSA-N 442.495 1.568 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712594309 LZCGHCKXCKVJAH-HSALFYBXSA-N 427.505 1.598 30 10 IDEE C#CCCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722323645 WLXJAEWGEQESOJ-MIZPHKNDSA-N 431.581 1.891 30 10 IDEE C#CCCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722323650 WLXJAEWGEQESOJ-SXWKCWPCSA-N 431.581 1.891 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722358532 CRBOCEDTZHCOIN-NVXWUHKLSA-N 447.561 1.778 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722360013 BZHLLYARDISZDT-QGZVFWFLSA-N 444.561 1.711 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364373 ZICFYZOYPMASJK-DENIHFKCSA-N 441.557 1.850 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722427192 RFSYLVHOTWBTGN-OALUTQOASA-N 437.610 1.767 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2nnc(C)s2)n1 1722428025 PRIKXWBMTSQFAI-UHFFFAOYSA-N 437.533 1.964 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCc2ccco2)CC1 1722433845 HYYLGPBIRDEHLG-UHFFFAOYSA-N 449.471 1.518 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1722467449 SPDJAEGGEUGMGT-HVETUWLQSA-N 443.573 1.714 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722471729 OWQVWZYSXNXKID-YCRPNKLZSA-N 444.536 1.515 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722695457 DFGCHNZHVLZIEJ-CQSZACIVSA-N 444.883 1.565 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1722696430 NBXQMWVDSVUYSQ-UHFFFAOYSA-N 442.527 1.836 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1722701833 FZUHUWXWPAMXRG-UHFFFAOYSA-N 442.568 1.137 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1723620243 HURDUBQWWCKWJY-OAHLLOKOSA-N 435.529 1.450 30 10 IDEE C[C@@H]1C[C@H](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1726468531 CFKZQRSRKRLFHF-JEWRLFTDSA-N 425.530 1.827 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)C(C)(C)C 1730762949 PBXHTFPZDHYHDB-INIZCTEOSA-N 427.571 1.752 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1731179466 CGBNLVNFVXCDFQ-GQIGUUNPSA-N 442.486 1.970 30 10 IDEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740584772 JYTSTIQBRONUJT-RDJZCZTQSA-N 440.479 1.118 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740744932 IIRFFBWONQYYJA-CHWSQXEVSA-N 439.314 1.163 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740749869 GNVAPFNCUINDLM-CQSZACIVSA-N 436.314 1.625 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cc(C)cn1 1740774343 QUIFZYRPPVSBBD-KRWDZBQOSA-N 437.570 1.219 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCCCC2)C1 1740963413 JZIXPCMLAYZMCR-UHFFFAOYSA-N 427.553 1.981 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCCS2(=O)=O)C1 1740974806 PQMMOAVFCQVYPT-LJQANCHMSA-N 447.561 1.771 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)C1 1740979135 BMLYFJGYGYDNNG-QZTJIDSGSA-N 434.566 1.557 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1741130571 AEXQYPYUHKDCIM-LSDHHAIUSA-N 440.570 1.691 30 10 IDEE CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1745921614 FOEOYNZYKALPNK-FMQUCBEESA-N 426.477 1.848 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1748757498 DVIVKYFGSPGSMI-UHFFFAOYSA-N 427.578 1.901 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748812555 WEMRSIDQBVLQKJ-ZWKOTPCHSA-N 430.578 1.774 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748819697 RPMXIGMMUKJHQR-RTBURBONSA-N 427.530 1.583 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCc1nnc2n1CCCCC2 1748824826 JJDVYSNFOPUASH-UHFFFAOYSA-N 436.564 1.830 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1748989320 KWUCOAIULSOPLT-UXHICEINSA-N 448.637 1.056 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cncn2)CC1 1749082515 AEBHBRXGAVXDPO-UHFFFAOYSA-N 437.346 1.833 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCCOC)C1 1749084451 YFNPZJJGYGBHNI-CQSZACIVSA-N 428.331 1.664 30 10 IDEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749415290 NWLGMLCTCVTBEP-GOSISDBHSA-N 445.520 1.888 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCO[C@H]1C1CC1 1749488107 ISWVJRPXQSFQKU-ZWOKBUDYSA-N 439.582 1.438 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)N2CCOCC2)C1 1749718498 WSZQYVVKBNTNSD-HXUWFJFHSA-N 441.532 1.540 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1749755046 CUNGQYIFTNMMKH-MRXNPFEDSA-N 444.623 1.935 30 10 IDEE Cc1ccc2c(c1)CCN2c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1751591795 UUVBOSIDNQPHBI-VZCXRCSSSA-N 449.515 1.945 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccn(CC)c1=O 1760170682 MLQCQDKAMOGGES-UHFFFAOYSA-N 439.545 1.538 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760190058 XTNZYLFUMHDSSN-GUDVDZBRSA-N 438.594 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)OC)CC1 1760265466 BUJPXHSQQBSQDQ-HSZRJFAPSA-N 447.580 1.710 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCn2ccnc2C)CC1 1760271715 IKZOLHNJNWFPCS-UHFFFAOYSA-N 432.532 1.435 30 10 IDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760281696 WFLIJPMRJATYJG-UHFFFAOYSA-N 425.562 1.733 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760442132 GZWVYKRWLMSPIG-UHFFFAOYSA-N 428.585 1.753 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760502228 SEXAUMNYYFYCBG-LJQANCHMSA-N 440.953 1.787 30 10 IDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1766311406 HFYGFWOOGXSIRO-SIKLNZKXSA-N 428.512 1.871 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1769474957 VTRAKNIRPMIILM-NRFANRHFSA-N 426.477 1.511 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1770728625 RTBQJSDVOWQAMS-RLFYNMQTSA-N 446.449 1.877 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(C#N)c2)CC1 1848935617 JMNOVMBCEAMWTJ-IBGZPJMESA-N 443.529 1.665 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#CCN1CCCC1 1850083284 HYXGVQDENSRYMG-KRWDZBQOSA-N 427.567 1.441 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@@H]2C(=O)N2CCc3ccccc3C2)n1C 1853407605 NYGKZBPRRITYKW-OAQYLSRUSA-N 437.544 1.936 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCCC2)C2(C)CCN(C)CC2)CC1 1853420990 RDTMKTLHIYLEKD-UHFFFAOYSA-N 426.583 1.699 30 10 IDEE N#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)C1 1855988393 WPJOANCHKCZRDW-MRXNPFEDSA-N 442.900 1.217 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN([C@@H](C)CCC#N)CC2=O)c1 1856438633 GDDOKKVDWXYORH-HKUYNNGSSA-N 432.546 1.511 30 10 IDEE C=CCOc1cn(CCNC(C)=O)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1870811923 KJSSWEUHEZUCQF-UHFFFAOYSA-N 439.560 1.913 30 10 IDEE C=C(CNC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2020862366 PPJRMGQMNZYIKJ-XOBRGWDASA-N 426.319 1.023 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2060632667 DQCZKMWAVPNPFH-ALXJQNPVSA-N 435.374 1.994 30 10 IDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243666761 BMDDRYNVJQAVSM-LLVKDONJSA-N 427.332 1.921 30 10 IDEE C[C@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248401885 PFQYDTXBZCUOFZ-WCQYABFASA-N 441.359 1.505 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2255880428 FXYGXIWWJMTMFZ-QWHCGFSZSA-N 435.334 1.147 30 10 IDEE C[C@@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255943221 QLRGNYGKOMIIQE-INIZCTEOSA-N 449.382 1.681 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CO1 2256019347 ZEVKLRUBWMRLQX-AWEZNQCLSA-N 434.298 1.972 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256057576 HHUZVINYABYKDL-UHFFFAOYSA-N 436.318 1.694 30 10 IDEE Cn1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2256881869 BZDGISDRUXTJJT-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256893382 DTIUKHXCBASRBY-UHFFFAOYSA-N 441.309 1.180 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)ns2)OC1(C)C 2256924590 WKTBMXDQZCYNPR-UHFFFAOYSA-N 445.350 1.759 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C#N)C1 2267166413 RQRQVPJEEFNJSO-OAHLLOKOSA-N 443.313 1.361 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@@H]1NC(=O)C(F)(F)F 2267500840 PDWHFZVUSUQCGQ-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2267516307 BXMKYCZIABEUSF-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2298460787 QRURYSCYHCHGBP-GRYCIOLGSA-N 438.359 1.747 30 10 IDEE CCCOc1c(OCC)cc(C=NNC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 2323044430 MGXQNRKKVHVRLB-UHFFFAOYSA-N 439.538 1.913 30 10 IDEE CCOC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)c2C#N)C1 13792830 FUOYPGPGOXATEK-CQSZACIVSA-N 440.547 1.887 30 10 IDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C(\O)NCCCC)cc1 71530834 XNWKGWGFHYDWNX-CYBMUJFWSA-N 431.536 1.607 30 10 IDEE COc1ccnc(N2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)n1 432877488 JELIKTVRBITJPK-UHFFFAOYSA-N 438.307 1.630 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 433562405 GUIJXQQFLRQNGY-MRXNPFEDSA-N 448.936 2.429 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1C#N 461378560 KKSYMBBPFSPRTE-KRWDZBQOSA-N 437.521 1.697 30 10 IDEE Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc(S(N)(=O)=O)c1C 469023384 NTMUBTVUWPEJAC-KRWDZBQOSA-N 444.538 1.976 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCC[C@H]3CN3CCOCC3)C2=O)cc1 505517079 VOSHNQVKMSMHGC-VQTJNVASSA-N 439.516 1.477 30 10 IDEE COc1cc(OC)c(OC)cc1CNC(=O)CN1CCN(c2cccc(C#N)n2)CC1 546211738 BYARGIPJSNCEFM-UHFFFAOYSA-N 425.489 1.417 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COC(=O)c3cccc(-n4nnnc4C)c3)cc21 586273053 ISNUXIKSBJSKTC-UHFFFAOYSA-N 433.424 1.922 30 10 IDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105932 QGNKDAXMLRHXDO-WAIKUNEKSA-N 438.532 1.739 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1F 619695218 XXKMPSLGWLCCKL-HNNXBMFYSA-N 443.500 1.018 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 728532366 XAJFCHPREJJYCR-UHFFFAOYSA-N 425.558 1.406 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(C(=O)N=c3cc[nH]cc3)c2)c1 734354731 PBJSDEGKBWYUIQ-UHFFFAOYSA-N 448.504 1.597 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)cc1C#N 747496901 UEMLMYWEGVKLDL-UHFFFAOYSA-N 442.497 1.670 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC[C@H]3CN(CC(C)C)CCO3)cc2C1=O 749249618 FGDIWGGCLDZFPX-KRWDZBQOSA-N 443.500 1.098 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)c(C)o1 751738565 DSJATILQIUQAIR-CQSZACIVSA-N 449.485 1.997 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCn2c(S)nnc2-c2ccc(OC)cc2)CC1 758665069 ZAEMTSRGFKROPZ-UHFFFAOYSA-N 444.561 1.079 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1 761307980 LNCNEZKQKUBVAC-UHFFFAOYSA-N 449.916 1.971 30 10 IDEE C=CCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[C@H](Cc1ccccc1)C(=O)OCC 781157403 CUOUPAKKXGCIGI-JXOMPUQVSA-N 425.485 1.286 30 10 IDEE CC(C)c1nnc2n1CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)[C@H]2C 784695493 GYVMNFZCZSYTQH-AWEZNQCLSA-N 430.534 1.824 30 10 IDEE N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 787775146 AQZWYWIPOROHPQ-SFHVURJKSA-N 444.499 1.673 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)n1 790106229 YOKRDPMVBUUTKM-UHFFFAOYSA-N 426.521 1.451 30 10 IDEE COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 853664925 CPXSGYVTOIEBTH-HUUCEWRRSA-N 445.497 1.654 30 10 IDEE O=C1CC[C@@H](c2noc(CC/N=C3/NS(=O)(=O)c4ccccc43)n2)CN1CC1CCC1 856539352 HJQJZQHKVRTQMK-OAHLLOKOSA-N 443.529 1.857 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 916899787 VXVSMAMOFFRNJG-LJQANCHMSA-N 427.482 1.977 30 10 IDEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 917035591 FGKAXVRWBQXMBP-ZAWLATJESA-N 430.530 1.746 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C[C@@H]1CCCO1 917768610 RECYOUKFGVDDQW-SFHVURJKSA-N 449.536 1.398 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)s1 917799085 KQJPYWGYFFLLQX-UHFFFAOYSA-N 433.518 1.317 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 918567087 MTTJEGVBABJBHJ-FQEVSTJZSA-N 441.509 1.850 30 10 IDEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccccn1 1084627502 VAKCEVPLXIICCD-UHFFFAOYSA-N 429.422 1.178 30 10 IDEE C#CC[C@]1(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCN1C(=O)OC(C)(C)C 1126122805 OPZSTLSIOLGADH-JOCHJYFZSA-N 445.520 1.473 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)c1OC 1127854155 NCUXKJVNNQQTGT-DOMZBBRYSA-N 435.527 1.986 30 10 IDEE Cn1c(=O)oc2ccc(CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc21 1132207618 XIXGPFXIUREHHI-INIZCTEOSA-N 433.424 1.525 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 1138085215 WPDSZLMQJISTFU-PMACEKPBSA-N 443.544 1.879 30 10 IDEE C=C[C@](C)(O)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1146298290 BVUGIEMPJUDBBY-NRFANRHFSA-N 438.594 1.735 30 10 IDEE C#CC1(O)CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1148405477 AGJKAUUOZUNDSM-QFIPXVFZSA-N 438.521 1.321 30 10 IDEE C#CCN(CC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C(=O)OC(C)(C)C 1175037627 IZFUTGRFHLBZBR-MRXNPFEDSA-N 437.537 1.696 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCOC1CCOCC1 1213711834 QJQUYXJTEAYTLB-UHFFFAOYSA-N 430.567 1.847 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 1229856887 RUPGYIMTVLAALB-XDNAFOTISA-N 439.578 1.854 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1286321792 BBZOTCNHNHFLCS-GOSISDBHSA-N 429.546 1.719 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286441551 ZILXBZZOXZPYMF-ZPHPHTNESA-N 425.880 1.979 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286706352 NHEVQKIDMAZYAN-IXDOHACOSA-N 426.587 1.154 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286779804 MWFJRLJUCCTTFA-XLIONFOSSA-N 440.548 1.413 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1286786750 YTUNLYUCCSRFMN-INIZCTEOSA-N 425.449 1.002 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(C)(COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286792576 CHDWTBINWAUBCP-QFIPXVFZSA-N 435.569 1.874 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1286832539 VJRWHAHLOZXMCZ-CVEARBPZSA-N 445.611 1.003 30 10 IDEE CC(=O)N1CCC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1286857486 WQBMVMGRYUPPOM-UGKGYDQZSA-N 446.552 1.306 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1288516821 FCBHMDYGKCOGNG-OAHLLOKOSA-N 435.579 1.457 30 10 IDEE CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 1292455884 AMAUBZAVLSCENV-AABGKKOBSA-N 437.548 1.823 30 10 IDEE C#CCCN1CCC(NC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1293932245 ISVWFCAMAVPDQZ-GDLZYMKVSA-N 425.595 1.739 30 10 IDEE CCOCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1297005077 FAYGZUNHKCBVBR-HOTGVXAUSA-N 442.586 1.412 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CC1 1299273536 DHPRHQOPKLFWJI-UHFFFAOYSA-N 433.463 1.950 30 10 IDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CN1CCN(S(C)(=O)=O)CC1 1300233293 JMIZBDRHQOUZPC-UHFFFAOYSA-N 429.502 1.570 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1300310925 QCIIEMQMIWDKNU-FJIDUMEYSA-N 439.582 1.274 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1300505127 XXQAEGULKZIVJB-CUWPLCDZSA-N 436.578 1.647 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(COC)cc2)CC1 1300710463 BWMFNHBQXUJSGV-VXKWHMMOSA-N 439.560 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCOC)CCC2)CC1 1300710992 RFTUIKKNRCXRRL-UHFFFAOYSA-N 444.580 1.589 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301000529 SNLHRFDGAFUOMO-MRXNPFEDSA-N 444.561 1.673 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301042951 ZNCQZWWUFZIKAN-MAUKXSAKSA-N 429.974 1.234 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1 1301442402 CGKBOVLOADRPEC-DOMZBBRYSA-N 433.452 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1301492807 ODJYZJNLGJBNHB-SJORKVTESA-N 440.548 1.937 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)Cc2ccccc2)C1 1301536117 RIUZKMSMVUZYLX-LJQANCHMSA-N 440.548 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301578142 SMICXSXTQGIZHR-QGZVFWFLSA-N 449.558 1.041 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1301624043 QHEHEQUJDCKGMS-KXBFYZLASA-N 446.577 1.578 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301935049 CKBFTUIOAVCCQP-SFHVURJKSA-N 439.520 1.347 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1302488508 PSAKKOAKSHNKIG-HNNXBMFYSA-N 441.517 1.619 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCCCO 1303408104 MEFDURPXVOVVEP-UHFFFAOYSA-N 439.564 1.773 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1303410532 ULADDWQZRYZXFX-QGZVFWFLSA-N 427.509 1.230 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)CCOC1 1303489811 OSUPAHWAVNGUBZ-NRFANRHFSA-N 442.524 1.212 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCNC(=O)O2)CC1 1304230512 DJNWUYZRMDREHO-MRXNPFEDSA-N 448.545 1.631 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 1307992761 OJLIQOQUDWXJKN-PBHICJAKSA-N 425.482 1.123 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358888302 KQRHISRLFRPLAP-VQTJNVASSA-N 436.560 1.979 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1358949594 IFHPAHXOBNUQJI-HRAATJIYSA-N 437.541 1.443 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961391 XRRFEUXZCXDWLC-PKOBYXMFSA-N 428.562 1.307 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCOCC1 1358975819 GATCGGGVBPJPLR-HXUWFJFHSA-N 429.528 1.924 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OC 1358978948 YVKUWYJZRWQVTJ-UHFFFAOYSA-N 442.527 1.977 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359226902 PEYIUYYWJZKVDJ-NHCUHLMSSA-N 432.613 1.981 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 1359292364 NYCWKHACSPXNJC-INIZCTEOSA-N 446.577 1.575 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1359295995 TWJYFMYJCNKVCO-CYBMUJFWSA-N 440.957 1.555 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359299098 VGBDFRKVTBFMOR-UHFFFAOYSA-N 437.548 1.790 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359326988 PBJMIVLWAISQDO-ROUUACIJSA-N 425.599 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCOC1 1359333454 YNMCQULIWUNOCB-VQIMIIECSA-N 448.545 1.864 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1359473782 HWUBUXYIBYDDEF-CVEARBPZSA-N 440.533 1.405 30 10 IDEE CC(C)NC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1360289982 AVUFJADIXPFBFK-NRFANRHFSA-N 438.467 1.159 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1360473826 AJOHAOBFDSETMM-OAHLLOKOSA-N 439.524 1.672 30 10 IDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(F)cc1 1360568505 CTYIMOIOSMMDTD-RKVPGOIHSA-N 449.508 1.516 30 10 IDEE Cc1ccc(C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1B1OC(C)(C)C(C)(C)O1 1441738585 UWCCFNPDDAKOKJ-UHFFFAOYSA-N 440.353 1.809 30 10 IDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O 1452765266 QVZPAXJVWUVWJV-NJDAHSKKSA-N 446.467 1.916 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 1452969720 WKQHJNRTVQSCCR-WQANXHIZSA-N 433.530 1.805 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CCOC1 1453692051 OZHSSQBOUTWNHY-HSZRJFAPSA-N 449.548 1.113 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(OC)CCSC1 1456025917 KPQCXFSYVWFFJI-KXBFYZLASA-N 425.576 1.922 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 1460600017 AOHRSOYSSQDSFI-QFIPXVFZSA-N 441.557 1.335 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)=NO2)C1 1463913675 JXALQDQTTGLZSL-UHFFFAOYSA-N 426.477 1.368 30 10 IDEE C=CCN(C(=O)c1ccc(NCCN2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1464395018 DINYLXJFJIUETL-QGZVFWFLSA-N 425.526 1.385 30 10 IDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NCC3(C#N)CCOCC3)c(Br)cc21 1464796476 AMGQUMKXTRJMSD-UHFFFAOYSA-N 443.323 1.238 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c(C#N)cn1CC 1466880433 DUUCUGXHZFERGW-UHFFFAOYSA-N 444.536 1.574 30 10 IDEE Cc1nc(C)c(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)s1 1492656342 FNQKTLVSGHQTPG-KDOFPFPSSA-N 438.554 1.938 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1507515788 INPJZTGHEQAWGP-QWHCGFSZSA-N 449.968 1.935 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507588777 ADHXUNGIRAFRMN-UHFFFAOYSA-N 427.534 1.568 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CN(CC(C)C)CCO1 1507618781 SOYNCFNTRTXNNM-KRWDZBQOSA-N 430.578 1.696 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507628793 IIPNLYMGFRKRIR-LJQANCHMSA-N 438.557 1.970 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507638561 GFEJFYMRWRQKRK-RBUKOAKNSA-N 445.589 1.742 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1507641565 HMYVFUDGHFBXKE-UGKGYDQZSA-N 428.533 1.935 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncccc1C 1507708998 PRPYVRGQINGQAP-UHFFFAOYSA-N 429.488 1.759 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)CC1 1507730926 ZFZFQZRRHCOBIS-QTEAWJPNSA-N 429.546 1.314 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCNS(=O)(=O)CC 1507773667 KJCVLLOEYQXZQI-LJQANCHMSA-N 436.607 1.955 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@H]2C1 1507810491 ZRAJXNONNHGSMP-SXLOBPIMSA-N 446.596 1.699 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)C1 1508122238 CVUIXACYCOUCMU-ZIAGYGMSSA-N 438.579 1.424 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1509735025 CVEJJKIOVYQNDL-UHFFFAOYSA-N 435.488 1.801 30 10 IDEE Cc1nccn1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1511613838 AYRVMLPZIABTNP-UHFFFAOYSA-N 434.504 1.650 30 10 IDEE Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1511814599 UBAIATPDHQRZTJ-VXPUYCOJSA-N 441.536 1.342 30 10 IDEE COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1518277340 MLQBMICWOIKMJX-IRXDYDNUSA-N 443.504 1.975 30 10 IDEE Cn1c(=O)c2ccc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc2n(C)c1=O 1538342367 UVOMOIUTHUFBIE-HNNXBMFYSA-N 429.477 1.763 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1539011195 AKIPIZPNGBQSLG-STQMWFEESA-N 442.467 1.690 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1539017052 XJYXKNMFUIVYCI-BBWFWOEESA-N 435.525 1.460 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539045037 OXOFBIAHQQWDGY-UHFFFAOYSA-N 440.508 1.850 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539200511 JGBOKFRCCVKOHU-MRXNPFEDSA-N 433.509 1.230 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1539333909 PEZCVDYTXWSTSS-HXUWFJFHSA-N 437.548 1.098 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1539736031 RRRYTEMSPYJOFT-MRXNPFEDSA-N 437.508 1.180 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)c3c[nH]c4cc(F)ccc34)CC2)cc1 1540728766 UCFQAYIVPZUFRC-UHFFFAOYSA-N 440.456 1.894 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1CCS(=O)(=O)C1 1540747439 AQRKQFRLRFQWGD-YJBOKZPZSA-N 433.530 1.943 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1540858400 VPIWVHINULDNRV-CABCVRRESA-N 435.554 1.195 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@H]1C 1540862499 CJJKOUBXAGMUSM-LSDHHAIUSA-N 432.550 1.314 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)C[C@H]1CCCO1 1540898105 ZKZIEHGVKJCMIR-MRXNPFEDSA-N 425.555 1.120 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1541808419 CJYKGVVDRWJQBZ-QFBILLFUSA-N 425.537 1.364 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nnc(O)n3C2)cc1 1542161976 ZDIISLCABROTPL-VAYDFKCMSA-N 446.533 1.778 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)cs1 1542926017 NREKGONANWFXKC-APWZRJJASA-N 433.607 1.800 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCCn1nc2n(c1=O)CCCC2 1543123681 CRBRNWFGECWXAZ-INIZCTEOSA-N 434.541 1.865 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1543464072 ZVUGQWAJOXULEM-KRWDZBQOSA-N 437.518 1.849 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1544053935 NNZGWCYSGYLQTP-MRXNPFEDSA-N 437.493 1.102 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CC1 1555989628 CNHOXDGZUJXFEQ-LLVKDONJSA-N 438.298 1.908 30 10 IDEE CC#CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1557363644 RNQINZFAZKRKOG-KRWDZBQOSA-N 446.573 1.571 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1557539673 QHFJMJRJIPWDBD-JTSKRJEESA-N 438.569 1.696 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCCN(Cc3ccccc3)CCOCC2)nc1 1560175426 QAWRBBFHDCQRHJ-UHFFFAOYSA-N 428.558 1.951 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1568548901 QXJZUVJYZZNFRU-UHFFFAOYSA-N 429.970 1.941 30 10 IDEE N#C[C@]12CN(C(=O)Cc3ccccc3I)C[C@H]1CS(=O)(=O)C2 1585660573 QCJHPFDSWRAUEO-SWLSCSKDSA-N 430.267 1.230 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1587554927 AMXBUCWDJUNHQX-ZWKOTPCHSA-N 425.537 1.740 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588065342 XCYAYANFHPEVMR-YLJYHZDGSA-N 442.589 1.373 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(=O)(=O)CC 1588113043 DPLKJTOLMPFMEM-UHFFFAOYSA-N 429.502 1.076 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 1588872031 WEEZHTAXJMNVKI-JOCHJYFZSA-N 429.496 1.557 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1588976013 PEZKOUSQMTUWMA-KKSFZXQISA-N 442.545 1.676 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@@H]1C 1589242514 CFMPJDNPAVGAFK-IPHXSNPTSA-N 429.546 1.802 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1589571611 ZNLKHKMJICEYQP-BEFAXECRSA-N 444.561 1.577 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1589664207 VKABHKZPNNJBRS-INIZCTEOSA-N 430.596 1.407 30 10 IDEE C=C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1594077961 WSCSZCCTRYHDGS-UHFFFAOYSA-N 433.516 1.703 30 10 IDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCCO)CC1 1594229689 SOENSFABRKGGIB-UHFFFAOYSA-N 438.532 1.993 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2F)CC1 1595556711 ZPPTZTFMJOXZIZ-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnnn2C)C1 1595753914 KKPSOAZRLSUIEE-IBGZPJMESA-N 425.493 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](F)(C#N)C1 1595759926 HPEGVCSOKGDRMB-GOSISDBHSA-N 426.518 1.239 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCN(C=O)CC2)cc1[N+](=O)[O-] 1597063186 ZHDANFCNXMCNFK-UHFFFAOYSA-N 426.433 1.685 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1)N1CCOCC1 1611599158 KIDVXPFQTBREHQ-IEBWSBKVSA-N 426.521 1.675 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCOC1 1613565440 UABJCJKDBXCVGE-CQSZACIVSA-N 439.520 1.768 30 10 IDEE C#CCN1CCCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 1618029873 KHIKNCJZHLRJTE-UHFFFAOYSA-N 435.265 1.914 30 10 IDEE CNC(=O)CC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1618721706 BXGLOSJETRWTHD-ZZEZOPTASA-N 427.509 1.034 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(C(=O)C(OC)OC)CC2)cc1 1622964490 FDJUFEXJMOAUBX-UHFFFAOYSA-N 430.505 1.796 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCC3(C2)OCCO3)nn(-c2ccc(F)cc2)c1N 1633671512 MRMOTGPKPBIIBY-OAHLLOKOSA-N 428.468 1.993 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 1634108104 IBAXNGXCXAWAGN-IRXDYDNUSA-N 448.568 1.261 30 10 IDEE C#CC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1)C(=O)OC 1637696627 GYXQDKIMXNILBJ-GDBMZVCRSA-N 444.347 1.724 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)C2)c(=O)nc1O 1640636556 JRFNNPRXZQEFPL-UHFFFAOYSA-N 441.245 1.670 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)C1=O 1641078341 BWPITJKKJXKNTP-UHFFFAOYSA-N 430.461 1.969 30 10 IDEE COC(=O)c1ccc([C@H]2CCCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1C 1641926142 LPFNHSAJRKGEEW-GOSISDBHSA-N 444.513 1.715 30 10 IDEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)CC1 1644428810 LBMVIYWKJSTHOU-UHFFFAOYSA-N 432.498 1.956 30 10 IDEE NC(=O)CC1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1647739914 BJGTVUKSGQEZJY-UHFFFAOYSA-N 434.562 1.980 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c1 1648330640 LIZBDBZOEDYETA-QFIPXVFZSA-N 430.505 1.668 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)C2)c(=O)nc1O 1648790668 PZNOOCPDUHCTFU-UHFFFAOYSA-N 448.336 1.861 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(Br)c2)CC1 1668476545 MILNYYFNYFEORT-UHFFFAOYSA-N 431.312 1.075 30 10 IDEE CCOC(=O)N1C[C@@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](CO)C1 1681498932 GHHDDGKAXNDASM-ZWKOTPCHSA-N 426.477 1.207 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 1684706713 ZZLOZNKEMUHRNZ-UHFFFAOYSA-N 433.472 1.037 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689917755 FZRFHZNRQCYLTH-UHFFFAOYSA-N 432.506 1.738 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CCOC 1690039584 LDOOPOGEGMDEMI-QFIPXVFZSA-N 434.504 1.171 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C(C)(C)C 1690094227 WONHUFJHZALPFF-UHFFFAOYSA-N 427.509 1.174 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Cc2ccc(OC)cc2)CC1 1690122558 VJSDJNUECBKLRV-RXVVDRJESA-N 436.560 1.872 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)N2CCOCC2)CC1 1690128347 BESWKZMJYYIUJJ-LJQANCHMSA-N 426.540 1.484 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1690420187 KBERWRZRQLENDA-HOCLYGCPSA-N 426.587 1.596 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690484834 FKWVXRNLEOUIGC-IBGZPJMESA-N 447.609 1.592 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C2CCOCC2)C1 1690659670 ZOQSVTRRYQUHSN-KRWDZBQOSA-N 432.569 1.752 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690665965 VIZHSKYFVHPZEN-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690676146 RDRUXCXBWNZYDZ-KRWDZBQOSA-N 442.520 1.745 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690722349 GMKBVRFXLCIIIT-QGZVFWFLSA-N 449.581 1.165 30 10 IDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690750086 ZMVSAQSIHNEXPT-UHFFFAOYSA-N 434.610 1.131 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1692210406 GSZVLECWCQZKEK-QHCPKHFHSA-N 441.555 1.881 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)c1cccc(O)c1 1693561921 TZPFIRZHNHCTGQ-UHFFFAOYSA-N 446.515 1.706 30 10 IDEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697733573 HFMKEIDSXLZBGM-HZPDHXFCSA-N 441.540 1.076 30 10 IDEE COC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1697762282 HJBLEAISXNMZQR-ROUUACIJSA-N 444.511 1.781 30 10 IDEE COCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1698081072 HGDHHCQEKZOKBD-RUNIHZNKSA-N 445.568 1.259 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705532460 NVMCURVTUZPHFJ-HXUWFJFHSA-N 428.581 1.720 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1705541095 ZVSNQWUGRAMIFN-UHFFFAOYSA-N 445.545 1.156 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705560066 IBXOSQXRTMKNFA-ZWKOTPCHSA-N 435.594 1.821 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1705583481 ZBJNIKHUKFPAAY-RBUKOAKNSA-N 425.558 1.778 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705652543 CZWGUAIBYVMOIF-KRWDZBQOSA-N 432.594 1.766 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705708653 FPARXNXTGXYARS-QRQLOZEOSA-N 446.552 1.562 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1705811953 OAHUOEMMNIBJAD-HNNXBMFYSA-N 429.612 1.957 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1705825250 NXPLJOWJEODQDG-QGZVFWFLSA-N 448.593 1.937 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705905716 DSINXHMEJZNACL-QHCPKHFHSA-N 436.491 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705936367 POSIVIOHJDEXFI-ZWKOTPCHSA-N 439.582 1.425 30 10 IDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1705981461 PZDQGTDSOAHZBE-UHFFFAOYSA-N 426.521 1.950 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1706751322 KEXMGRHTYQOPIM-CJNGLKHVSA-N 429.456 1.723 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1NC(=O)CC1(C)C 1711074099 TWGMQWHEAYMCIK-SFHVURJKSA-N 435.532 1.823 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1712710606 MQFLPHBSEYZYFT-QGZVFWFLSA-N 444.561 1.761 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)C 1722389736 LKHKKUVRZVJQGS-UHFFFAOYSA-N 441.557 1.584 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1722398165 YJRLRZGJYCEQCQ-RTBURBONSA-N 440.573 1.726 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1722445325 POTSWVRKNZHQOG-OAQYLSRUSA-N 448.527 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722447107 FAIXAODSZFZHLD-IRXDYDNUSA-N 437.491 1.910 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1 1722466665 CCFZILZHPRSXFG-AZRPKEGLSA-N 427.596 1.182 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@H](C)C1 1722696540 BIYXXIDPAHWSTF-CQSZACIVSA-N 439.545 1.436 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1722703224 XJTQAEWLJQMKIP-JOCHJYFZSA-N 426.521 1.731 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)C1 1722717622 CQBLKRHVAVXXKU-GDBMZVCRSA-N 437.522 1.144 30 10 IDEE CC(=O)NCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1722856764 YPDXPVYADLAGIQ-RDJZCZTQSA-N 449.556 1.709 30 10 IDEE CC(C)Oc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cn1 1723690349 DPZUFAANVWLNEJ-QGZVFWFLSA-N 425.493 1.360 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1729486884 LAYNKCKVWLCTRN-MODMUFLJSA-N 437.504 1.263 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCN(CC)CC1 1740604610 CVQNALFICHOYCD-LJQANCHMSA-N 448.579 1.264 30 10 IDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740611013 RBKAIHIFDVEJNS-VQIMIIECSA-N 425.489 1.355 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740623193 PSHZWNQEPMWQQC-AWEZNQCLSA-N 443.558 1.429 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)c2ccco2)CC1 1740693713 JKKBEAWOEFCKLS-UHFFFAOYSA-N 434.500 1.732 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740747202 BMVARBQIPPBYNV-CABCVRRESA-N 434.342 1.763 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1740793253 QDNXPIPAKDWIKI-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1740941246 GDSIKCHPPPLNNW-OALUTQOASA-N 439.626 1.939 30 10 IDEE C=CCn1c(N2C[C@@H]3[C@H](C2)[C@@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1740949975 CFCBDJHCWLLZMN-QLFBSQMISA-N 439.582 1.888 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740952231 YASDDSUGQWOLAH-WOJBJXKFSA-N 447.628 1.325 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1Cl 1740958789 VDDQVCYMTNIHJR-HNNXBMFYSA-N 432.912 1.700 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOCC2(CCC2)C1 1740963527 NTKUNFJUFRTQIC-UHFFFAOYSA-N 444.561 1.579 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740966772 WQJKCRUFCGMPQT-QZTJIDSGSA-N 429.525 1.151 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1746553188 HOKYYSYYLKINSF-UHFFFAOYSA-N 440.504 1.637 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@@H]1C 1748344858 LAXZEAPSSQLULJ-HNNXBMFYSA-N 425.493 1.618 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1748817747 PQWXERUVIDNNJP-WOJBJXKFSA-N 449.621 1.531 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1749142217 SWBVFXTWNWKBHU-UHFFFAOYSA-N 434.566 1.709 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccc(C)n2)CC1 1749303356 IYKZKYCBZXSQIW-LJQANCHMSA-N 446.577 1.714 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C1 1750059065 AYHGYKFXFGPNBF-FQEVSTJZSA-N 436.520 1.820 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)C1 1751276268 AWNSZBYSXGRNGV-GRDNDAEWSA-N 429.493 1.734 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCOCCN(C)C)CC2)c1C#N 1751828024 PZWUPYZORKJXGK-UHFFFAOYSA-N 441.584 1.364 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1760141445 VLVDJUVJUDEJJR-UHFFFAOYSA-N 442.593 1.945 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760178129 AZCRQKNZGNWLSX-MRXNPFEDSA-N 433.534 1.217 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCOCC1 1760196853 ZETQDYVYDWFUIS-OAHLLOKOSA-N 431.338 1.829 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN2CCOCC2(C)C)CC1 1760262905 GKTBSPZTIVVBGU-UHFFFAOYSA-N 436.604 1.929 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760272978 YRXOZCUBRNIGSB-AWEZNQCLSA-N 432.516 1.856 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760334417 JZGGEIHGMFWBNZ-FUHWJXTLSA-N 434.566 1.726 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1760407054 SQIINAMKPGPRKZ-AWEZNQCLSA-N 447.627 1.504 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1767882629 UUOBSHFLEZKYLS-SFHVURJKSA-N 440.504 1.644 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CC1(S(C)(=O)=O)CCC1 1771111237 CVTRZZVJBGYVFO-UHFFFAOYSA-N 432.550 1.982 30 10 IDEE C#CCCN1CCN(C(=O)c2c[nH]nc2S(=O)(=O)Nc2ccc(OCC)cc2)CC1 1848478425 FRXQEGDTBRWJTQ-UHFFFAOYSA-N 431.518 1.390 30 10 IDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1 1852054621 AEFHLVORAFYSNN-KBPBESRZSA-N 429.912 1.631 30 10 IDEE O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853178957 IRZMPGXINJLYRI-JTQLQIEISA-N 447.391 1.639 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1=O 1856792828 XOOBOIPZYIFMCN-GDBMZVCRSA-N 428.894 1.363 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2Cl)C1 1858334104 BSGYVFREIFNNDR-AWEZNQCLSA-N 425.919 1.953 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 1858422303 QTGWALCZTSTZGK-KRWDZBQOSA-N 442.497 1.146 30 10 IDEE C=CCNC(=O)C(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861751026 GMLQBKJHLAXYPZ-UHFFFAOYSA-N 429.926 1.172 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)cc1Cl 1865722384 PWWMYQDQPYUITC-GFCCVEGCSA-N 437.283 1.388 30 10 IDEE C#CCn1ncc(N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(Br)c1=O 2178148778 WJHQKQSBQCTDML-IACUBPJLSA-N 439.310 1.685 30 10 IDEE C#CCCN1CCC(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2204053424 WECANEWXDPQDNW-NRFANRHFSA-N 435.521 1.418 30 10 IDEE CC1(C)OB(c2csc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)c2)OC1(C)C 2243412201 IDJCLRMKEAFPPW-UHFFFAOYSA-N 436.364 1.724 30 10 IDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2243434962 IIKLPSSPUCTAQK-UHFFFAOYSA-N 444.384 1.945 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676601 LKRCSYDUMLFQEO-UHFFFAOYSA-N 427.332 1.610 30 10 IDEE Cc1nc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247835744 PUNQTJHQCILGJV-LBPRGKRZSA-N 441.359 1.366 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255378754 DFKBECNUXFUNHD-OAQYLSRUSA-N 433.314 1.939 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255656273 YQEGUUKTJZNKMK-KBPBESRZSA-N 436.314 1.679 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255697057 CTAGEXVWSMXHTD-HNNXBMFYSA-N 437.346 1.282 30 10 IDEE CC1(C)OB(c2scnc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255810454 CMPAIUAIIAHABQ-JOCHJYFZSA-N 443.378 1.809 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825873 HAZGUGQNMLGKEQ-GUTXKFCHSA-N 432.330 1.694 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2259355732 OLLKHJNYNGRFEQ-KBPBESRZSA-N 434.346 1.752 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)n1 2267547043 FQICAKOWJRYWPA-UHFFFAOYSA-N 449.361 1.682 30 10 IDEE C[C@H]1CC[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2267598407 ZOAZVQXUJIFURH-KBPBESRZSA-N 449.361 1.632 30 10 IDEE CC1(C)OB(c2cc(C(=O)N(OCc3ccccc3)C3CNC3)c(O)cc2O)OC1(C)C 2267811822 RVXMHQGHPRPMRL-UHFFFAOYSA-N 440.305 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268708343 ZWEZIAXBVLSPBO-IXDOHACOSA-N 445.325 1.954 30 10 IDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCCC1 2286038393 CMGFWWGWCMZSJC-OALUTQOASA-N 436.530 1.956 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2337194337 LBTPNEUDJWQERY-QLFBSQMISA-N 446.357 1.847 30 10 IDEE COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1C#CCCO 2365320629 IRIMEGPRZOGXQZ-UHFFFAOYSA-N 428.466 1.467 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(OC)c(O)c3)n2)o1 59879260 CHILVTGVUDDLNV-FBCYGCLPSA-N 432.466 1.319 30 10 IDEE CCN1CCN(c2c(/C=C3/SC(=S)N(CC)C3=O)c(C)c(C#N)c(=O)n2C)CC1 97474680 SNFIDELOEBEPAF-LFIBNONCSA-N 431.587 1.928 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105283010 KKHHGHFJMGVOPQ-UHFFFAOYSA-N 443.529 1.369 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2 254800832 LXMDAINMXWRSPQ-IUODEOHRSA-N 440.499 1.267 30 10 IDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2OC(C)=O 257416180 FKKSXNLVJJDMAR-JCBCIFQHSA-N 448.512 1.517 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 429301708 NYRXFCJMVGMDSF-IRXDYDNUSA-N 429.521 1.232 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](CN2CCCCCC2)C1 460570434 DFUVHAUHVRLLQJ-FQEVSTJZSA-N 449.559 2.501 30 10 IDEE C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 465198633 XPANEAVVWUACTM-CVEARBPZSA-N 442.545 1.439 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C 467836975 VGPOGHFPMFYBJI-RZQQEMMASA-N 440.525 1.531 30 10 IDEE Cc1nn(C)c(N2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)c1C#N 472436680 VVLXEKGUERMVIA-UHFFFAOYSA-N 429.912 1.448 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 508831984 IADFPZFERHKEEX-IBGZPJMESA-N 443.573 1.899 30 10 IDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508885323 OMWFGKSXEZSSOE-UHFFFAOYSA-N 438.532 1.357 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 509000873 LBTGYJHPRKXXDA-LJQANCHMSA-N 440.548 1.930 30 10 IDEE Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 512261028 VYTATWWTQDGYBB-SFHVURJKSA-N 428.518 1.385 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 513789597 KXNHHENPIAKVIB-UHFFFAOYSA-N 437.518 1.478 30 10 IDEE CCCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCCCO1 533385158 ODIWFIMFNVWGPB-HXUWFJFHSA-N 448.589 1.672 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 542824555 PZXKMMAECLZNRK-HUUCEWRRSA-N 426.525 1.646 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 543056266 MDMWYHDBCDNKNU-HXUWFJFHSA-N 437.548 1.556 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)C2=O)cc1 549501635 YJASICTUXIZCIC-YSIASYRMSA-N 426.517 1.921 30 10 IDEE N#Cc1cc2c(nc1N1CCN(CCn3nc(-c4ccncc4)ccc3=O)CC1)CCC2 585587252 OOSCISNSKVSCEQ-UHFFFAOYSA-N 427.512 1.883 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O 588153977 FKFAJVAQZPCQIE-NYHFZMIOSA-N 443.479 1.971 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)CC1 605410080 ISRVJJGUJSRVPO-OALUTQOASA-N 429.565 1.748 30 10 IDEE CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2B2OC(C)(C)C(C)(C)O2)CC1 725442468 AJCWUEAUEMBEME-UHFFFAOYSA-N 434.289 1.941 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(OCCc2ccccc2)c1 737304732 AZGRXKFYZAQVMF-QURGRASLSA-N 448.479 1.889 30 10 IDEE Cc1c(C#N)cccc1NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 770289688 ITYNTVJCRWCUJQ-UHFFFAOYSA-N 429.282 1.913 30 10 IDEE Cn1nc(Br)cc1C=c1sc(=C(C#N)C#N)n(-c2ccc(F)cc2)c1=O 782630069 XYVRORAMLKOAMW-UHFFFAOYSA-N 430.262 1.561 30 10 IDEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 783407335 AIEVGARWGBLVCS-QGZVFWFLSA-N 444.879 1.057 30 10 IDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 800772595 INFRFFZWGVKTSM-UHFFFAOYSA-N 431.928 1.160 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 809926904 VQWBHOVLZMPMMQ-SFHVURJKSA-N 433.509 1.576 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCN1CCOCC1 916201385 MEAYFHDMAXYMTR-UHFFFAOYSA-N 445.342 1.031 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CCN1CCOCC1 917770114 XEHLNOIYDHSLRK-UHFFFAOYSA-N 435.336 1.575 30 10 IDEE C[C@@H](C#N)CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 920448489 GLSLLLYCFPLGDW-LBPRGKRZSA-N 430.324 1.702 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1131716900 CXHSKVCLSGYOQM-AWEZNQCLSA-N 445.335 1.238 30 10 IDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1 1149782300 VOGAXKMNYXGNBU-QFIPXVFZSA-N 426.473 1.943 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1 1151436999 HJSPQLGKSNDZRY-INIZCTEOSA-N 438.513 1.272 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ccc(C#N)cc3)CC2)C1=O 1197033123 VBTUNBSRSOIBAM-XMMPIXPASA-N 446.511 1.569 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCN(C(C)=O)CC2)CC1 1286473050 HIBPRKDMDUKGMJ-UHFFFAOYSA-N 436.560 1.967 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286506283 HHSGIWPSFBVXRR-IRXDYDNUSA-N 426.608 1.942 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@]1(OCC)CCOC1 1286566180 MJPVHQPHJSYDCD-LZNRXBQRSA-N 435.569 1.872 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OCC=C)C1 1286783093 GQOISYYZUSGIEV-SFHVURJKSA-N 435.492 1.004 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC2CCOCC2)CC1 1286784336 FCPKNHAMHNKOMO-UHFFFAOYSA-N 442.539 1.935 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccccc2OC)CC1 1286785746 ROBABCHNXFNBKF-UHFFFAOYSA-N 447.543 1.973 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286788890 JOPIPSVVJIEDHM-VGOFRKELSA-N 426.521 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1286817413 SHZPANRUSQBDCK-UHFFFAOYSA-N 435.525 1.744 30 10 IDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1296570936 PPUJLDOGSSQHER-VGSWGCGISA-N 430.553 1.975 30 10 IDEE COc1ccc(CNC(=O)Cc2ccc(Br)cc2C#N)cc1S(N)(=O)=O 1298830922 BEVCTBVKVWDSFU-UHFFFAOYSA-N 438.303 1.836 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1300412070 QTZJBCXZGWDKCJ-DLBZAZTESA-N 446.552 1.715 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1300631680 VHSWSMDJVPXAAK-MRXNPFEDSA-N 436.559 1.092 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1)C1CC1 1301327477 UDDSVBFUZTWLFP-GOSISDBHSA-N 436.626 1.363 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1301362543 FUMHYSSWTRAGOC-GDBMZVCRSA-N 435.575 1.918 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301505892 CBVADDALHXUIEG-QFIPXVFZSA-N 436.520 1.052 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1301794480 GSFCVBWMVOLQQZ-UZLBHIALSA-N 446.508 1.629 30 10 IDEE CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1305293711 KYVUJQWVSSDQRK-LEWJYISDSA-N 429.546 1.993 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 1307830615 AGKLQMAAHFRXJO-QJISPJEISA-N 433.917 1.827 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)CC1 1310465018 XOLHYQNJQAMWEO-QGZVFWFLSA-N 434.566 1.386 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1316264740 RZXODDABPLHSBS-VGSWGCGISA-N 427.505 1.864 30 10 IDEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cs1)C(N)=O 1355329017 TXOHOLPJHCIRRP-HNNXBMFYSA-N 430.559 1.657 30 10 IDEE C#CCN(c1nnc(C)n1Cc1nc2cc(OC)ccc2n1C)[C@H]1CCS(=O)(=O)C1 1358956126 AVEWOMMCTNBVJC-HNNXBMFYSA-N 428.518 1.157 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358963216 DNTNJDQYWKQTQY-GOSISDBHSA-N 449.621 1.752 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1359043514 WTLBDSNCBBBZEG-UHFFFAOYSA-N 447.543 1.697 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1359070023 CYKAAEVLUWKPAO-LVCYWYKZSA-N 433.578 1.431 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359086587 BTOZKSDIBMUZLP-KDOFPFPSSA-N 440.342 1.693 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)SC)CC1 1359179504 WXNLHLWGZFCJSS-GOEBONIOSA-N 429.612 1.765 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1359295510 DXPZLTULJZYZOR-UHFFFAOYSA-N 426.521 1.105 30 10 IDEE COC(=O)N1CCC(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 1441247318 UORUYZPRARJVBV-UHFFFAOYSA-N 428.468 1.992 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C(=O)/C=C\c3ccc(F)cc3)ncnc1-2 1443586304 WLMBJYCKWITYIF-DUSYPWJQSA-N 447.268 1.449 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)C1=O 1448522833 VLEIYKIIIHOUMV-GZBLMMOJSA-N 427.423 1.217 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncc2c(n1)CCC2 1451231266 NCMZJAFKABCLOM-UHFFFAOYSA-N 427.530 1.881 30 10 IDEE CCOC(=O)[C@@H](C)C1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1455499540 HHYRQISNJPZQQN-HNNXBMFYSA-N 435.546 1.943 30 10 IDEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCO[C@](C)(C#N)C1 1460862079 YHVMXQMTONYOBP-OAQYLSRUSA-N 449.577 1.480 30 10 IDEE C[C@H](CC(=O)N[C@H](Cc1ccccc1)c1ncon1)/N=C1/NS(=O)(=O)c2ccccc21 1469603578 TZIPEFBCBURJLL-RHSMWYFYSA-N 439.497 1.987 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OCC 1475629151 MJIARYPRTXMLMT-SECBINFHSA-N 427.264 1.201 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)(F)F 1478404036 OVVBINPHFQQFNI-FTJMZPCMSA-N 436.431 1.888 30 10 IDEE Cn1nccc1[C@@H](O)C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1478419870 GKBUTEYNBYYNHC-FPOVZHCZSA-N 436.516 1.942 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)F 1505069528 BPIGQTGYYFHVMB-BBRMVZONSA-N 426.468 1.513 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1507531274 CFSNVHUYXKWPCF-IRXDYDNUSA-N 443.577 1.345 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1507571594 HBWBKSPLZKDGLG-UHFFFAOYSA-N 426.481 1.874 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507628268 WBBCFQKIOLXNRK-SFHVURJKSA-N 447.517 1.905 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1507632278 KJTVZEKAQVPYIB-QAPCUYQASA-N 429.502 1.659 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1507722504 YUZADCCFZOZPEX-HSALFYBXSA-N 448.637 1.751 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1507755135 ROEZGEGDJBLYGG-OAHLLOKOSA-N 434.566 1.653 30 10 IDEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1)c1ccccc1 1507921448 VAJAITNPNKAZRZ-RBUKOAKNSA-N 437.548 1.990 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1508092764 QYHRCCOHUDDLLT-LSDHHAIUSA-N 441.458 1.598 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)CC)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 1508097140 NASUWTHWGAQONY-SJLPKXTDSA-N 438.532 1.552 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508154807 DNESVIJTKJZWTJ-UHFFFAOYSA-N 444.565 1.229 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1516807525 FEQUFZFMWIGUFW-UHFFFAOYSA-N 444.561 1.556 30 10 IDEE CN(CCC(F)F)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1517263282 JXMUONAMNMBQMK-VHEBQXMUSA-N 431.447 1.882 30 10 IDEE COc1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1518341982 BVIAEOIGFTZVPU-SFHVURJKSA-N 426.477 1.217 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1519178514 ILWGLMRKZBLDBN-BFYDXBDKSA-N 432.500 1.980 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1519368838 IGXRRTYGJIUYSZ-RXVVDRJESA-N 429.546 1.926 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)C1 1521063496 RXZBNOURYZLKPA-XLIONFOSSA-N 433.509 1.839 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)nc1 1531785865 IVYMTMZEDCQXBT-ZIAGYGMSSA-N 426.395 1.947 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1539045427 UGEMTDKYVUFYIU-UHFFFAOYSA-N 432.532 1.911 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539224135 CNRBXNJJFVPPRK-SIKLNZKXSA-N 446.548 1.904 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1539343305 JCNLVFVSEKTKOE-KRWDZBQOSA-N 441.561 1.641 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCN(C)C)CC1 1539438106 NXMUOKZDJUJNDB-UHFFFAOYSA-N 427.509 1.187 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539759465 IDXWNYPOZICOMJ-SXLOBPIMSA-N 446.552 1.906 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@H](C)C1 1539968142 WZEVILJKPGHLKS-MSOLQXFVSA-N 440.614 1.498 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1540169300 CADDKVMREIHCJQ-KRWDZBQOSA-N 436.538 1.443 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOC(F)(F)F 1541935875 UCQVGROWUHDENI-WFASDCNBSA-N 438.476 1.945 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1548326260 PQHQFSIHWBCDGH-OALUTQOASA-N 444.561 1.856 30 10 IDEE COCCCOC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1555506580 HGKUPHURUUTRBR-UHFFFAOYSA-N 430.509 1.951 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)C1 1555985286 MBQYQUSAXMJDMJ-SJKOYZFVSA-N 434.273 1.877 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)CC1 1570205580 SRYLYMQOVRHFSW-IRXDYDNUSA-N 426.535 1.051 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1587945511 LXBNRQBLCNMODX-QGZVFWFLSA-N 447.561 1.846 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1588045935 UEWSKOAOMMBFRJ-MRXNPFEDSA-N 437.591 1.026 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1588124107 CXIJOEBDGOWVBK-HSZRJFAPSA-N 436.585 1.929 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)[C@H](C)CC 1588124560 NIXKJVXXKGWHDK-GOSISDBHSA-N 431.544 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N1CCOCC1 1588205619 PTFQQLHXZGFHQN-UHFFFAOYSA-N 428.496 1.815 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCCC1 1594961779 FTLOYHWUMWVTDN-MRXNPFEDSA-N 426.587 1.108 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1C(C)(C)C 1595267122 QBIIMQDZVSQLAK-UHFFFAOYSA-N 439.524 1.959 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)c1cc[nH]n1 1595543067 YGKQFZBYAUACFC-GOSISDBHSA-N 427.505 1.647 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(O)c2)C1 1595723147 RZCYVDBQJOIWID-SJORKVTESA-N 448.545 1.724 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C 1595884914 WXPBOBQBNXWWIS-JYJNAYRXSA-N 429.612 1.765 30 10 IDEE CC(C)Cc1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1603977914 SWJSPBQEMVSMCY-MRCUWXFGSA-N 427.553 1.678 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1606957261 DSUBUFWYMGHDPK-IBGZPJMESA-N 433.538 1.051 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1612134737 XJFQSIGHAYVATI-IBGZPJMESA-N 436.513 1.547 30 10 IDEE CO[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1619055906 IBCOOIPVWCGWOZ-WIYYLYMNSA-N 445.545 1.494 30 10 IDEE COc1ccc(C[C@H](CO)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1O 1622383622 UOHDPZODIXTLTM-AWEZNQCLSA-N 436.461 1.418 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCCNc2ncccc2C#N)C1=O 1625770296 MKHJJKSAVRKSDX-MRXNPFEDSA-N 430.509 1.245 30 10 IDEE C#CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1626434187 FYFAZUQOQCYBKS-CXIVCQEWSA-N 435.546 1.422 30 10 IDEE Cn1cc([C@@H]2C[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cn1 1628568109 UUEAHCTZGBXRDW-WBVHZDCISA-N 431.518 1.275 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN(S(C)(=O)=O)C2)cc1 1630687463 VCHRPDJWHAQSQC-LVZFUZTISA-N 442.563 1.110 30 10 IDEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1632114566 ANAXPNGCVKUZMR-HNNXBMFYSA-N 430.534 1.847 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)C2)nc1 1635415659 MXUDNIOAXXCXPM-MRXNPFEDSA-N 430.468 1.628 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CN2c3ccccc3Sc3ccccc32)CC1 1636480893 ZOZGUAPKKZQUSW-UHFFFAOYSA-N 442.566 1.901 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@H]3C(=O)Nc4c(Br)cccc43)C2)c(=O)nc1O 1637513818 PWUAIDSJIHYBBF-GFCCVEGCSA-N 444.245 1.092 30 10 IDEE C#CC[C@H](NC(=O)c1cc(I)ccc1N1CCOCC1)C(=O)OC 1637696998 KZFZLKVUAQWMGO-AWEZNQCLSA-N 442.253 1.423 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CCO2)cc1 1638474378 JTEDNGPGVOUMDY-HXUWFJFHSA-N 428.514 1.761 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1645679763 JIKGURRHLHHIRJ-FOIQADDNSA-N 431.961 1.754 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)[C@@H]3COCC[C@H]32)n(-c2ccccc2)c1C 1646095293 ABNKISRNWPJPHT-WOJBJXKFSA-N 442.541 1.792 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 1684273201 QZUFAAUBTRFONN-UHFFFAOYSA-N 438.859 1.654 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(n2cc(Br)cn2)CC1 1685048532 DHVRGERNHHUZEA-ZDUSSCGKSA-N 445.325 1.717 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OC)c(OC)c1 1689861502 WJGVRQJAQGCJDW-HNNXBMFYSA-N 427.505 1.933 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1689938246 FOJQJNHLVKCESP-UHFFFAOYSA-N 440.523 1.810 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCS1(=O)=O 1690105253 ZCVWIZZYHURHOH-QGZVFWFLSA-N 437.591 1.687 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOCC)CC1 1690138334 ZBCBHJLYTJLEPX-QFIPXVFZSA-N 433.553 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CC)CCOCC2)CC1 1690144027 JVAGPWZZNLBYLG-GOSISDBHSA-N 442.564 1.402 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N1CCOCC1 1690515610 PVVFVEZTUFJJDE-PKOBYXMFSA-N 448.593 1.584 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1690527964 VKXRNQFNUAQDJI-CYBMUJFWSA-N 444.483 1.590 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690694952 YGAXKSOKOXFDLY-SJORKVTESA-N 434.566 1.346 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1694220908 LKAZGEPFNKDNCM-FVJLSDCUSA-N 434.541 1.352 30 10 IDEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1OC 1696116331 FJHMIADVUWPFAI-YADHBBJMSA-N 444.511 1.861 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1696617858 TVMXFWYCFKWZIT-WOJBJXKFSA-N 426.521 1.847 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492346 BRNIHWWMPNMIGY-ICSRJNTNSA-N 449.490 1.476 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1705492047 KUGYTWHHVJIGDE-ZBFHGGJFSA-N 431.518 1.865 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCS1(=O)=O 1705498480 WTBCAMGOIKNVAC-AEFFLSMTSA-N 426.546 1.942 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)C1CC1 1705580639 NDRZFBVTCNUUDY-UHFFFAOYSA-N 429.528 1.749 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1705600393 XMLUYXZUQIVXFL-UHFFFAOYSA-N 443.433 1.658 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1705621158 UGWKRNKAUIUYDD-JOCHJYFZSA-N 427.480 1.331 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CC1 1705628752 OERYTWREGDGBRR-JJCDCTGGSA-N 430.530 1.788 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cc(C)cc(C)c2)CC1 1705642224 LOJZMNTZQMIXKF-UHFFFAOYSA-N 436.560 1.852 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1705674795 RDXMXXHCRIZYAS-WIYYLYMNSA-N 445.545 1.357 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1705743698 GIONWXZXEIQGAD-UHFFFAOYSA-N 432.550 1.099 30 10 IDEE C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705810322 UYGCWIZKFGRBOG-RCCFBDPRSA-N 444.580 1.700 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1706348059 AMZVPGAHYDWHFP-NRASPWIFSA-N 446.577 1.886 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1709372797 CLTJNJSEJRRWPT-QGZVFWFLSA-N 448.549 1.235 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)CCOC1 1710482077 AEJAZFYNHXKUIQ-XMSQKQJNSA-N 446.552 1.452 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1722360457 HXYCGVXMODDIFZ-LJQANCHMSA-N 426.546 1.229 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722367608 WOCBLZVWZDXRRX-LJQANCHMSA-N 436.541 1.642 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722371232 VAMZEBSJKOTGMZ-RTBURBONSA-N 437.610 1.562 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1722383383 HKOFRXGGEHKQBA-MSOLQXFVSA-N 445.520 1.075 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCN(C(C)C)CC1 1722387962 SWCHKLYGCSDOST-UHFFFAOYSA-N 442.608 1.895 30 10 IDEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 1722480708 UARYBDHUXFKPGI-UHFFFAOYSA-N 442.295 1.997 30 10 IDEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1722616098 JYKMLADCBARVQJ-GOSISDBHSA-N 433.534 1.838 30 10 IDEE C=CCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 1722691051 OYRNTZZMEGFGRD-XXBNENTESA-N 440.548 1.465 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2nc(C)no2)CC1 1722702815 RNBNXWXXPJFHPC-UHFFFAOYSA-N 439.524 1.517 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)OC)C1 1722729507 MROAOEJHMCJLOT-KRWDZBQOSA-N 433.534 1.254 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1722763839 GTFQLGCPCAIXOC-ZWKOTPCHSA-N 434.566 1.179 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1723081441 DHTASUBYVPSMGT-QFIPXVFZSA-N 425.537 1.092 30 10 IDEE CCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1728460366 JDGWVVAUCYBUOJ-VXPUYCOJSA-N 427.509 1.163 30 10 IDEE CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729158856 DUNCOCLRLZSWLG-SFHVURJKSA-N 428.541 1.796 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cc(Br)cn2)cn1 1729568781 GITFJJSOZGXLJX-MRXNPFEDSA-N 434.277 1.780 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)C1 1729597335 CBTRJFMKCVDBOG-NFBKMPQASA-N 440.548 1.801 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1OC 1740668992 IGVIKTXPVAFBBW-AEFFLSMTSA-N 446.577 1.749 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1740730935 LPYSSVRVXQLRSI-CNNODRBYSA-N 449.621 1.529 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740737309 HJNRYOWKYKMLMY-NWDGAFQWSA-N 426.271 1.537 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740958446 PFIUUWJGNLMJRO-LJQANCHMSA-N 427.553 1.957 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccccc2)CCOC1 1741730606 CEWGQGPXGKYWGR-AJSBUHFISA-N 441.532 1.955 30 10 IDEE C[C@H]1N(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1743379244 ZEYNEIUZGLURBL-MEUCICPISA-N 437.504 1.870 30 10 IDEE CCc1nnc(N2CCN(Cc3ccsc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1744706723 RLWBWNBTWPXEQR-FMQUCBEESA-N 441.561 1.751 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1747372236 JWGRARTXBRYEDR-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1747901075 LDHBKDSZLCYZOE-XDOYNYLZSA-N 444.499 1.940 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1748103921 ASJLICUDQITJMU-DLBZAZTESA-N 425.537 1.356 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OCC)CCOC1 1748764060 GXSBDXSDNCNMAZ-AUSIDOKSSA-N 444.580 1.086 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(CC)CCC)CC1 1748987243 QGFGUUHZTYVDHL-UHFFFAOYSA-N 427.553 1.493 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1749159094 ONMOFNOUQLJHMJ-ZWKOTPCHSA-N 425.599 1.551 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccnc(-n3cccn3)c2)CC1 1749286287 HJQMKZUZQIDYDY-INIZCTEOSA-N 442.549 1.674 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cccnc2)CC1 1749303620 MESZUVLCGNXHRW-GOSISDBHSA-N 432.550 1.405 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749667362 ZFJDQTZCCRHRQO-JOCHJYFZSA-N 426.521 1.725 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](C3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682574 VRBJBLUOMJAGCV-CVDCTZTESA-N 447.580 1.874 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1760174145 DVJIBTZFWFWUHK-SFHVURJKSA-N 433.534 1.046 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)n1 1760179773 ZFHFSZCOGLILCR-PXNSSMCTSA-N 426.521 1.351 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760521937 IBKZKKRBBVRWFV-KRWDZBQOSA-N 433.601 1.206 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760527985 OQLKRGBFFAAUGQ-SJLPKXTDSA-N 440.573 1.896 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1760544179 YYUYQLQYWGAKLJ-FCGDIQPGSA-N 432.569 1.510 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760551416 FCHYTVLRAVYVNM-SFHVURJKSA-N 440.529 1.229 30 10 IDEE Cc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1762249928 COVQOQSAZNRNBF-ZBEGNZNMSA-N 427.531 1.452 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H]1C 1766988248 QPOCVGMVRGAWED-SJORKVTESA-N 445.593 1.675 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1768459842 XMYNWROETZVUAB-IBGZPJMESA-N 437.548 1.849 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1769366280 MJOQKVHEWDIMST-FGTMMUONSA-N 430.534 1.227 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOCC2)CCO1 1770748523 PIUDFCSIANPEHK-MRXNPFEDSA-N 432.475 1.598 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1772567348 SNJBGTPKIXCMEF-IPMKNSEASA-N 432.569 1.021 30 10 IDEE C=CCN(C(=O)[C@H]1CSC2(CCC3(CC2)OCCO3)N1C(C)=O)[C@H]1CCN(C)C1=O 1852209427 YXMHIYROGSKCNQ-DLBZAZTESA-N 437.562 1.209 30 10 IDEE N#C[C@H]1CN(C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)c2ccccc2)CCO1 1852462838 DQWODVDQEDRBDV-HKUYNNGSSA-N 433.917 1.981 30 10 IDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1854557405 LBSOSWVRUUMEBX-UHFFFAOYSA-N 430.461 1.685 30 10 IDEE CC1=Nc2ccc(CCC(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)cc2C1(C)C 1854721911 BICVBYRPKXHGTG-CQSZACIVSA-N 430.530 1.915 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@@H]2CCCOC2)CC1 1857255389 QFNRVHMINWISBG-QGZVFWFLSA-N 431.514 1.843 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N(C)CCC(=O)O)c(C(=O)OCC)c1C 1860760942 IPZXAORXPZZJMT-UHFFFAOYSA-N 426.447 1.448 30 10 IDEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794582 DVWIUPYGMPSWKK-MSOLQXFVSA-N 445.589 1.643 30 10 IDEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155557 SUMYACKUUGSAMM-UHFFFAOYSA-N 445.395 1.980 30 10 IDEE C#CCOc1cn(CCO)c(CNc2ccc(C(=O)NCCN(CC)CC)cc2)cc1=O 1871010745 RCJCODRHSSJYNW-UHFFFAOYSA-N 440.544 1.536 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCCCCO)ncnc21 1875232458 JMEJXFSISXBIAS-UHFFFAOYSA-N 428.537 1.919 30 10 IDEE CN(C)CC#C[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1891087087 LNWASJWQYRMLBO-OAHLLOKOSA-N 428.352 1.283 30 10 IDEE CC#CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1900620329 JJAIEILUEPHAEI-JKSUJKDBSA-N 425.526 1.733 30 10 IDEE COC(=O)C=Cc1cc(OC)c(OC)c(S(=O)(=O)NCCNc2ncccc2C#N)c1 2069618730 MEKNIYBQJFDNNW-UHFFFAOYSA-N 446.485 1.547 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085664167 QBNFIVAWSSEAKY-NRFANRHFSA-N 433.314 1.691 30 10 IDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC12CC(C#N)(CO1)C2 2195272372 WDJDAQBRHVFSBR-VMEOHVCESA-N 436.486 1.632 30 10 IDEE C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247954434 YSORGNWCKZNKNM-ZDUSSCGKSA-N 441.359 1.572 30 10 IDEE CC1(C)OB(c2ccoc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255651144 UOBIKFMTTVQMHD-HSZRJFAPSA-N 426.322 1.946 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2255843069 BDCYDGOYWWUZIZ-INIZCTEOSA-N 425.342 1.461 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067573 QMDHYOSSISNCKW-KGLIPLIRSA-N 432.330 1.666 30 10 IDEE Cc1cnc(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267112859 MTBHVAZGAWVZQM-JKSUJKDBSA-N 447.341 1.711 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267272970 GPBXRFQSXYDNMZ-UHFFFAOYSA-N 447.341 1.483 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2267274740 DUMQFLTXHMCFHH-ROUUACIJSA-N 437.353 1.461 30 10 IDEE Cc1ccnc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267512420 NEXFHPGFZACHRF-OAHLLOKOSA-N 449.357 1.647 30 10 IDEE Cc1c(C=C2SC(=S)N(C(C)C)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 2314435649 ADPNIGPGORUTJE-UHFFFAOYSA-N 431.587 1.927 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2320441189 OEERLTXRMXFAIA-QGZVFWFLSA-N 427.310 1.473 30 10 IDEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329012629 XKSKVIPGRNYKRH-HNNXBMFYSA-N 430.534 1.861 30 10 IDEE NC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330940488 LLASCZMVBZHZFK-LBPRGKRZSA-N 434.434 1.269 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2334264755 KXPIMWDTOCMWBV-LZWOXQAQSA-N 444.341 1.761 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203067 SFMHOXRSHFPFSM-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2340993676 ZJRVYNHSRUBKRI-DZKIICNBSA-N 446.357 1.847 30 10 IDEE CCCCCCCC(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC[C@H]1CCCO1 100170774 KAXQTJFSAHWZGU-CVEARBPZSA-N 427.567 1.661 30 10 IDEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1C 103112648 SJPHGTDQNBPASD-UGDGIKRESA-N 426.473 1.796 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)C2)nc1 428810768 IKJWMYRVTCTWBM-QGZVFWFLSA-N 425.514 1.452 30 10 IDEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 460953644 AONSNKSUOIVGKN-UHFFFAOYSA-N 435.598 1.996 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C#N 474355891 PTHIPKPZHAGCAP-UHFFFAOYSA-N 427.489 1.279 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cc1 478742452 FEYVDWRIFXBCCU-RBUKOAKNSA-N 438.549 1.896 30 10 IDEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 479125049 CDPHWDWLFLAFLI-GOSISDBHSA-N 427.548 1.554 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)C1=O 482021957 VMSNJSQAJDULNR-MJGOQNOKSA-N 426.473 1.066 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)NCc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506597198 VDHXXSIYRQYMJY-NRFANRHFSA-N 449.559 1.030 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 518550960 BGMTVPPPPLGCPX-UHFFFAOYSA-N 442.497 1.408 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OCC2CC2)c1=O 518717167 DYRXIFPVPWKCNZ-UHFFFAOYSA-N 439.537 1.150 30 10 IDEE COC(=O)CN(CCc1ccc(Cl)cc1Cl)c1c(C#N)c(=O)n(C)c(=O)n1C 540494051 SJNDSQMJGUKLIL-UHFFFAOYSA-N 425.272 1.485 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542217081 CQFDNJMTJBUIDH-UHFFFAOYSA-N 441.582 1.986 30 10 IDEE COc1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCOC3)CC2)ncn1 566568117 OCGXUEBDVYPNPP-GOSISDBHSA-N 446.515 1.978 30 10 IDEE CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 575829645 CHNKIRIOFQOAEH-FQEVSTJZSA-N 428.470 1.593 30 10 IDEE COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N2CCOCC2)cc1 585684768 BDHJOAZDDACIJH-OAQYLSRUSA-N 440.475 1.512 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 603800377 VQRUENFYZIALJO-INIZCTEOSA-N 442.497 1.025 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 610479073 OKSKJUSIMCMOIG-MRXNPFEDSA-N 428.493 1.035 30 10 IDEE COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 611601597 UDSCBCOXVJAUII-UHFFFAOYSA-N 440.431 1.575 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)nn1CCC#N 611644482 MKFSMGJHHOMPHX-QGZVFWFLSA-N 444.517 1.477 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccnn3)CC2)c1 726073182 AEQOARIRQVGFOW-LYBHJNIJSA-N 443.533 1.644 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C2CCN(C(=O)C(C)C)CC2)cn1 726109207 AXMMWCUGTVSHST-INIZCTEOSA-N 434.566 1.618 30 10 IDEE Cc1occc1C(=O)NC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 727332420 HLKKZVFCPNMRMA-UHFFFAOYSA-N 430.486 1.048 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730139533 QZCJLHCCUSQCRQ-CQSZACIVSA-N 425.942 1.085 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CCN1C1CC1 732708866 WGDHOIMLEGXLCN-OAQYLSRUSA-N 431.496 1.754 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccccc2OC)c2nccn2C)CC1 734265258 HQKZCNPIQMGCCY-HXUWFJFHSA-N 426.521 1.148 30 10 IDEE CN(C)C(=O)C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccc(Cl)cc21 743909365 YPFCKWLMIYHHFD-WMLDXEAASA-N 443.935 1.447 30 10 IDEE COC(=O)[C@H](OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(C#N)cc1 745496331 LNIXBBHYXYIFOL-ORAYPTAESA-N 441.465 1.833 30 10 IDEE N#CCn1cc(NC(=O)C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cn1 746394958 IMXCZVMWKCMDGV-QGZVFWFLSA-N 426.864 1.973 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2ccnc(C#N)c2)cc1 746945371 OHALLTVZCNXZJQ-UHFFFAOYSA-N 430.486 1.457 30 10 IDEE COC(=O)[C@H](c1cccc(C#N)c1)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 751468188 DUFYWHHYCRXRMX-IBGZPJMESA-N 430.505 1.783 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(F)cc1 751922711 PIPKJJBHWHQPOV-CJNGLKHVSA-N 437.541 1.350 30 10 IDEE C#CCN(CC(=O)O)C(=O)C[C@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21 757429431 WVXSURDWVXCLPM-INIZCTEOSA-N 436.464 1.823 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccco2)cn1 763465399 YQAVKAHCKHONCQ-QGZVFWFLSA-N 445.545 1.925 30 10 IDEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771536246 CXFKZKYAYPCBBB-INIZCTEOSA-N 427.534 1.670 30 10 IDEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCCO4)c3=O)n2)c1 781134945 XKHJBPRVNNPUOT-LJQANCHMSA-N 432.509 1.313 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nc(-c2ccccc2)n[nH]1 784790606 MYFFMXJILVMDSO-UHFFFAOYSA-N 438.513 1.649 30 10 IDEE CNC(=O)c1ccc(CS(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1 797328194 SEYPYQLYAMUOOR-IBGZPJMESA-N 429.498 1.967 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 813563257 SAYDKBBPPSGDNU-XJKSGUPXSA-N 437.541 1.268 30 10 IDEE Cc1ccc(O[C@@H]2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 858056726 FHDBTYNQJZJTRG-HZPDHXFCSA-N 428.514 1.887 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1OC 1084039973 NKHNOSNAIAPBBR-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE C#CCN(C(=O)c1ccc(I)cc1OC)[C@@H]1CCS(=O)(=O)C1 1125883955 PVMPOAWEPFMFJY-GFCCVEGCSA-N 433.267 1.562 30 10 IDEE N#C[C@@]12CN(C(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1134055557 BEBJKDQBGXOKIJ-GDKCJGSASA-N 438.303 1.272 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 1138075347 LTNMDEPWNALCEL-OAQYLSRUSA-N 425.466 1.596 30 10 IDEE C#C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1143652537 NRVHKQFFFOSYIO-KRWDZBQOSA-N 435.521 1.311 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 1154959659 VNIFHBXZIOIOFC-CYBMUJFWSA-N 435.265 1.960 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 1159769542 FBEMJIOLLDUGDW-QMHKHESXSA-N 444.491 1.970 30 10 IDEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1(O)CCOCC1 1162326543 FYTQIJDGGBCEDA-UHFFFAOYSA-N 449.573 1.643 30 10 IDEE N#CC1(C[C@H](O)CN2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCOCC1 1169012733 ABZCWBQBUYJEGK-XZOQPEGZSA-N 440.588 1.867 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1178114923 DGGUWIAGTNVYAK-CYBMUJFWSA-N 425.573 1.410 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 1223423026 LQSZHTGFAJNWPF-CYBMUJFWSA-N 429.340 1.305 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 1230514095 HFTUTKQSLYTHAF-VQTJNVASSA-N 432.546 1.922 30 10 IDEE CC(C)C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 1252244175 SOZJMSCSZTXJNK-NRFANRHFSA-N 427.549 1.659 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1253779847 UXJKDABPYSJRIX-CQSZACIVSA-N 431.917 1.923 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1286296212 MXOKNMPALVQSQX-KJXAHZPBSA-N 448.483 1.775 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1286343550 WBXBTRAXDLZCKY-HTAPYJJXSA-N 443.573 1.980 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1286409562 NYEBABYSOSUOBG-LJQANCHMSA-N 434.525 1.487 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)CC1 1286481413 VKWQQBXYAIGNJM-GOSISDBHSA-N 435.594 1.142 30 10 IDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286699995 XANLPELZZGHGTJ-GOSISDBHSA-N 440.552 1.370 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1286726209 BQIBECRXKKWTQL-GOSISDBHSA-N 449.577 1.509 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCOCC2)C1 1286813496 VZVICYXCPXZNKC-PMACEKPBSA-N 429.569 1.642 30 10 IDEE CN(C)[C@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 1288677710 ZFHBBLYETBLEOZ-QGZVFWFLSA-N 446.495 1.958 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1294077176 OGNALLKZGSNXGI-YGCDDZCOSA-N 439.520 1.815 30 10 IDEE CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1295154498 ZOEHSVSWLKXBES-ZSVKVYQISA-N 444.536 1.834 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)s1 1297738854 ACRHJJGNMBJOHC-WCQYABFASA-N 426.482 1.774 30 10 IDEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1300300876 UZEUXNWVRFJWGC-ZHALLVOQSA-N 443.500 1.775 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1300479251 KIOIHEZMWQFCNL-INIZCTEOSA-N 435.575 1.347 30 10 IDEE C#CCN(c1nnc(CC)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300499835 XUVKVZVYFOUETB-SFHVURJKSA-N 429.546 1.174 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300506734 XNBZNGKGQFWQOK-SJLPKXTDSA-N 431.518 1.208 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300754838 WUIWAALBNDQLBH-KRWDZBQOSA-N 429.546 1.661 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1300764666 ZTPGPLVHFLDXBZ-CQSZACIVSA-N 425.605 1.948 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1300845684 ZZIDIWCXMXWENH-CYBMUJFWSA-N 428.331 1.551 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](COC(C)C)C1 1301507056 VEPQJUPAWROHNC-GOSISDBHSA-N 431.512 1.940 30 10 IDEE CC(C)(C)c1csc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)n1 1302041039 CAGUQZRMQWCGTR-UONOGXRCSA-N 429.550 1.955 30 10 IDEE COC(=O)[C@]1(N2CCN(CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)CCOC1 1307944012 FCAFLFWSXZEKSL-QHCPKHFHSA-N 428.533 1.500 30 10 IDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1314468906 HEEMDWXUNNVLLL-QGZVFWFLSA-N 432.550 1.571 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1316297218 IBWWNKJDEXVSHF-FSGKZVOOSA-N 432.569 1.851 30 10 IDEE CSC1(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCN(C)CC1 1316400340 CMHMDHNXLOEMCH-UHFFFAOYSA-N 443.625 1.654 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 1327640389 HGUIAXNUEXAIMZ-XDOYNYLZSA-N 439.493 1.917 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@H](CO)O1 1358875273 MSFPVIZTWPFHIQ-HYVNUMGLSA-N 446.577 1.544 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCOCC1 1358885960 UZJSORVUGRCQQD-DLBZAZTESA-N 445.593 1.417 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1358920082 ROQGOIXDNFGUFP-IAGOWNOFSA-N 439.582 1.324 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1358958990 ZPRZVGIQWRPPLO-JXFKEZNVSA-N 436.534 1.261 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)Cc2ccccc2C1 1358997247 LBVXMUQTMNZDDW-UHFFFAOYSA-N 444.583 1.963 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359132248 RJZKEEMUBXEFCO-MRXNPFEDSA-N 433.557 1.452 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359133818 ZTVRLCGIWFJPCM-OALUTQOASA-N 432.569 1.957 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1359228105 UILPLTUKFAIPQC-OAHLLOKOSA-N 433.525 1.160 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359305014 QRLBNAIBHCTEBB-HZPDHXFCSA-N 436.557 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCOCC2)C1 1359327079 RMXPMLRGDIWXOB-UHFFFAOYSA-N 437.566 1.122 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1360287275 HMQNIPMHVRTLDX-GOSISDBHSA-N 438.492 1.554 30 10 IDEE CC1(C)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCS(C)(=O)=O)C[C@@H]21 1360798944 RTPIXKXWQXHHMO-ROUUACIJSA-N 429.546 1.970 30 10 IDEE C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439613015 IWGCJUURUHUKAG-SPEDKVCISA-N 431.558 1.950 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1cc(-c2cccc(C#N)c2)no1 1462698648 MARULZRQVHNCRU-UHFFFAOYSA-N 431.452 1.718 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1463611763 ZOMRNAJSEFFYER-JQWIXIFHSA-N 431.312 1.760 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)cc1F 1470669077 ZLWFIVBGWCZSTE-CRAIPNDOSA-N 443.928 1.989 30 10 IDEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1475823936 MLQJWOVSWBHLCH-OAHLLOKOSA-N 440.522 1.172 30 10 IDEE C#CCC1(O)CCN(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1479381368 KRANKKBONJIGDD-QGZVFWFLSA-N 449.548 1.879 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC[C@H]1COCCO1 1494137687 UGJZUDUXHGYJNI-SJORKVTESA-N 440.552 1.758 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1502209048 NZQHKCQEYYCNEK-HXUWFJFHSA-N 433.534 1.493 30 10 IDEE CN(C)CCOc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)c1 1503398522 ACFZXMXKSPXHFF-QFIPXVFZSA-N 447.543 1.981 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCSC1 1503621271 DFILEXFCQVWCBY-MRXNPFEDSA-N 434.591 1.945 30 10 IDEE C#CCCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1507575007 RWHXIKRFKFXUHI-QHCPKHFHSA-N 440.548 1.779 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(=O)OC)CC1 1507610269 JXKADIGAHGYCNY-UHFFFAOYSA-N 435.492 1.469 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1ccc(S(C)(=O)=O)cc1 1507612962 WHRMMUJBGAYYPV-UHFFFAOYSA-N 441.513 1.721 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507626216 DMLBGMJHTOAJBK-AEFFLSMTSA-N 431.562 1.958 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507631571 QSZOVTLTGUMGCG-CVEARBPZSA-N 432.575 1.648 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1507672167 VMFZNSAHVGDWKN-KRWDZBQOSA-N 444.536 1.138 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)c2ccco2)CC1 1507723955 APSFFSSCHQUEIQ-UHFFFAOYSA-N 432.528 1.956 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507753103 JIVVIEODBRTQDC-HXUWFJFHSA-N 443.621 1.665 30 10 IDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1508018054 LBWFDTGRENDUSE-UHFFFAOYSA-N 426.399 1.863 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1508075632 YUBHYQFSBCDWSY-AWEZNQCLSA-N 431.493 1.498 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1512494588 YSELBDICUXYVFJ-BUNKOAGESA-N 437.504 1.404 30 10 IDEE CCCNC(=O)CCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1515062114 ICQNTYSSPLSOCR-UHFFFAOYSA-N 434.504 1.735 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)CCOC)cc1OC 1516275762 DHSKJKQNUUUCEN-VGOFRKELSA-N 445.520 1.869 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1517434637 FXMOLSOOKULQDA-QGZVFWFLSA-N 444.561 1.460 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(C)c1 1519150077 CYKSPCFTFGVPBS-IBGZPJMESA-N 434.504 1.536 30 10 IDEE COc1ncc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1C#N 1538159418 QTXQNVYRWZURGD-BFUOFWGJSA-N 436.490 1.182 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(OC)CCOC1 1539001777 JQHFHUAOVYUZJS-MGPUTAFESA-N 432.550 1.502 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1539361867 HPARIIBVIIZGSW-IRXDYDNUSA-N 428.562 1.824 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1539409056 MUBNTNRZVRUWQG-UHFFFAOYSA-N 436.472 1.239 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1539556275 ALESCMFXTSBHNG-MAUKXSAKSA-N 439.607 1.499 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539577180 HZEHGSVNWOONRO-ZDUSSCGKSA-N 446.371 1.436 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1539612814 QLSZNUJGQYWOBF-HKUYNNGSSA-N 430.553 1.554 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539742477 DDSDVTLEPFZUFK-WIYYLYMNSA-N 441.580 1.855 30 10 IDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1540054723 VJKPGPVGEITYSL-UHFFFAOYSA-N 445.520 1.875 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1540077844 TYZKGJHQVMLNBT-IERDGZPVSA-N 436.557 1.275 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540853355 YXHMJKPORMALAZ-SFHVURJKSA-N 426.564 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540902656 NUFKKRSOXDJMIO-PMPSAXMXSA-N 439.538 1.055 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1540903362 DFMOGVUBRDBUCT-KRWDZBQOSA-N 427.615 1.624 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1CCN/C(O)=C1\N=CC=CC1=O 1541634938 SISOVGSTBZZIGC-HMWBCQRISA-N 441.492 1.733 30 10 IDEE CCN(c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1547384192 GQFYGVXUTZHBFI-VXPUYCOJSA-N 426.525 1.901 30 10 IDEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1552830506 FMVLCZWCFDZNAS-UWJYYQICSA-N 443.577 1.820 30 10 IDEE COc1ccc(COCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1554953578 RPPJZPAGRYIMGL-ZWKOTPCHSA-N 426.477 1.183 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555263403 UECYNMCIFREXDF-RBUKOAKNSA-N 442.495 1.948 30 10 IDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCS(=O)(=O)C1 1556197948 POVUQKAPZBVVHS-OXJONJSCSA-N 425.551 1.666 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1558751587 VTMGNSJTBFEWPX-GOSISDBHSA-N 448.541 1.547 30 10 IDEE C#C[C@H](C)N(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1559797202 KBLWZQOGTYTTFY-VZWMTCDZSA-N 431.539 1.686 30 10 IDEE CO[C@H](CC(C)C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1561107996 BEUAQCAXDSHKID-QGZVFWFLSA-N 429.564 1.255 30 10 IDEE C=CCc1cc(CNC(=O)Nc2ccn(CCN3CCNC3=O)n2)cc(OC)c1OC 1563291014 ARPOORDDPCMIOG-UHFFFAOYSA-N 428.493 1.976 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CCO2 1565340680 NOSGXYSJUIOBNU-ANZKDXPISA-N 428.493 1.069 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1565814634 BRCMHLCWBFTNNS-NRFANRHFSA-N 431.558 1.600 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1583957213 CQBVSTYKSJEJGO-JSGCOSHPSA-N 436.427 1.876 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)s1 1585670478 BNRXGSIZWYQHGH-HNNXBMFYSA-N 426.608 1.040 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1587662955 RZGKADFEKZIKKO-WBVHZDCISA-N 439.486 1.861 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1587783260 NBLMWZAXTHHWJT-UHFFFAOYSA-N 429.569 1.788 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1587861026 FXEKQBLOCPCAKS-MRXNPFEDSA-N 445.520 1.586 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1587904853 QDFDBGXDVROBOY-UHFFFAOYSA-N 433.472 1.521 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1589060797 YVXRPDROINAXTE-KGLIPLIRSA-N 430.500 1.668 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589483826 QUPDWUQNFCWWMZ-WDSOQIARSA-N 430.553 1.552 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1593775915 DQJQLAABVRDSNC-HKUYNNGSSA-N 448.568 1.589 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)C1 1595320093 OLGVNTFBIROUGT-ZFCANOHDSA-N 425.551 1.857 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1595476731 MXCJVCOGINOKTI-MSOLQXFVSA-N 445.612 1.663 30 10 IDEE N#Cc1cc(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)ccc1N1CCC(O)CC1 1595912946 CSBYYVCWGNSTJJ-UHFFFAOYSA-N 449.442 1.959 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNS(C)(=O)=O 1613320835 QGWZGMLKJPDSTF-INIZCTEOSA-N 446.581 1.324 30 10 IDEE COC1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1619481810 MFZXDYDQAKSBBR-DXCLHELWSA-N 425.530 1.827 30 10 IDEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1620283623 NDOCHJONCKYPTQ-UHFFFAOYSA-N 449.602 1.946 30 10 IDEE CCN(C[C@@H]1COc2ccccc2O1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1632602247 HSUHLTJTJJPOML-OAHLLOKOSA-N 429.498 1.804 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 1636480343 NLQSPJXTUKSVEF-UHFFFAOYSA-N 444.351 1.218 30 10 IDEE CC(C)(C)OC(=O)[C@@](C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1636656197 AMTGUWAKIGKVEQ-BULFRSBZSA-N 447.557 1.866 30 10 IDEE O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)NC[C@@H](O)C(F)(F)C(F)(F)F 1636669605 BIQIDKIZLZBWHK-SECBINFHSA-N 433.236 1.708 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCc2c(sc(N)c2C#N)C1 1636719730 OYANZTNYVITVAF-CQSZACIVSA-N 433.534 1.602 30 10 IDEE C#CC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1)C(=O)OC 1637696628 GYXQDKIMXNILBJ-GOEBONIOSA-N 444.347 1.724 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCc4c(cccc4C(N)=O)C3)C2=O)cc1 1642229466 CZXPOURQYLGOLH-IBGZPJMESA-N 431.452 1.447 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1642454152 FPFAIMYXTPACMR-IAGOWNOFSA-N 444.598 1.364 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCC2(O)CCN(c3ccccc3)CC2)c1 1648618444 RHSIQCIFOVHCNF-UHFFFAOYSA-N 441.553 1.750 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(-c4ccc(OC(F)(F)F)cc4)[nH]n3)C2)c(=O)nc1O 1653763144 QMBKTDPSAVJBLO-UHFFFAOYSA-N 446.345 1.806 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CC1 1657038433 IKKSGOXDCAOKJL-UHFFFAOYSA-N 435.365 1.229 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3F)C2=O)cc1 1661361823 ACFNCARFLDVYHZ-AWEZNQCLSA-N 430.417 1.606 30 10 IDEE Cn1cc([C@@]2(CNC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)CCCO2)cn1 1676581372 MNNDNEBWBHOZJZ-QHCPKHFHSA-N 448.531 1.997 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1689853019 NXYQTLDMOHZYET-IRXDYDNUSA-N 439.582 1.418 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1689924306 BWUJVHWFXCICBQ-UHFFFAOYSA-N 438.580 1.617 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1689975055 IOCDGMWADLDOQQ-MRCUWXFGSA-N 436.472 1.462 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1689975083 JKPRVQFYIXRWBM-GOSISDBHSA-N 431.562 1.967 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689994503 ZNBNYDUSALWPTF-KRWDZBQOSA-N 446.558 1.605 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690129250 SBUICMDEPRYISM-UHFFFAOYSA-N 442.589 1.377 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690246673 WBXAGZFZXQWDCO-LMMKCTJWSA-N 444.580 1.905 30 10 IDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690300734 IYLLKOVQENYDKJ-SFHVURJKSA-N 432.569 1.655 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1690982667 KBFWSCDZYVFISH-LJQANCHMSA-N 449.519 1.725 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(COC)cc2)CCOC1 1696083674 AMZIGIJIAVNNTN-SIKLNZKXSA-N 427.505 1.854 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696380540 YMBJBKMFMXHLQW-QQMHEVNUSA-N 439.520 1.673 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1Cc1cnnn1C 1696847753 NSMYIGGDLCRIPA-UHFFFAOYSA-N 430.314 1.963 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696922422 YHJWGAOBJARRCE-JCBINSKWSA-N 441.536 1.425 30 10 IDEE COc1cccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 1697541187 RNLIDNWBULIEKB-QZQOTICOSA-N 437.504 1.448 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCCCO)CC2)nc1 1698488263 NMCPZGHRXFTXHN-UHFFFAOYSA-N 438.536 1.270 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1705480936 ZGKKFQVGLKIIMZ-HXOBKFHXSA-N 441.532 1.689 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1705564379 NMXJNDBMOGPAIE-HNNXBMFYSA-N 433.509 1.189 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705589301 OTHBJVRJTYJASX-IBGZPJMESA-N 432.528 1.932 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1705614613 ORWXIXSEGHLWNS-ZWKOTPCHSA-N 449.552 1.852 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)CC 1705628402 FWWFUUXHTNHIPL-UHFFFAOYSA-N 440.552 1.016 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1705693150 CCVYRUWYGSEZGO-WMZOPIPTSA-N 439.520 1.608 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1705717239 FZPNNAQMFAKSSF-HNNXBMFYSA-N 430.596 1.550 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1705866100 HNZTYQXSIKZSGT-INIZCTEOSA-N 449.602 1.961 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1705901084 ZZNVWHQHTRMTOL-HUUCEWRRSA-N 437.504 1.108 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1c1nncn1C 1705936645 VPUWTZZOBSJBIV-CVEARBPZSA-N 435.554 1.243 30 10 IDEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706702689 DVZXKANQGOZCER-UHFFFAOYSA-N 438.536 1.532 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1708275467 DHHYTKULIDLDIN-PNHOKKKMSA-N 449.508 1.330 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1710875242 PYGPKZODKZVIDV-HZPDHXFCSA-N 431.474 1.366 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCOCCS(C)(=O)=O 1711072831 KFDZVDXRWSSXCE-LJQANCHMSA-N 447.561 1.741 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712884735 RGUZSXMQZZIZNF-DOTOQJQBSA-N 433.463 1.425 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722306373 KDLXKYDNQOMWBQ-QGZVFWFLSA-N 436.582 1.224 30 10 IDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1722414662 FJYFYJBAMJOBSB-NRFANRHFSA-N 427.530 1.359 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1722462542 VZWZCCPJZWAUIA-SFHVURJKSA-N 427.530 1.859 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722504939 IMEWAYXBKDQUHJ-QQTQMKHKSA-N 429.521 1.625 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722627837 OMVSOFBWSJTMDS-INIZCTEOSA-N 430.488 1.078 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722687179 MAMLATSEKMVCBV-UHFFFAOYSA-N 443.577 1.953 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722698403 YUBXRGBRMKEHED-UHFFFAOYSA-N 428.541 1.064 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)C[C@@H]1C 1722706158 MMGPKOQBNDBEHP-INIZCTEOSA-N 442.520 1.225 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(C(N)=O)c2)C1 1722709561 SNNQACNFFKUEPR-GOSISDBHSA-N 426.521 1.539 30 10 IDEE CC(C)(O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1723033958 MTKBAIQNODPXPP-FUHWJXTLSA-N 445.545 1.185 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CCOCCCO 1726642447 HVNDNPDLTOKWMY-QGZVFWFLSA-N 442.568 1.642 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@H](C(=O)OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1728805660 YINCNQNBPFEGBR-VFNWGFHPSA-N 429.477 1.833 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1S(=O)(=O)N(C)C 1740556973 GWMZSJPXOCRMFI-INIZCTEOSA-N 444.561 1.157 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1740616124 SVWTZGKZPNWNLE-MRXNPFEDSA-N 439.607 1.282 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740616945 JMFDKBDEVKAWEC-OAHLLOKOSA-N 443.451 1.598 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740623101 OEMSKJQMAZQLDE-GOSISDBHSA-N 436.578 1.494 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1740629018 YSJBKJBXXAHBHO-YQVWRLOYSA-N 443.504 1.886 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1740672126 XDBQFCZLCNAXRO-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740698362 SCTQQJDSPWIXEC-UHFFFAOYSA-N 439.564 1.886 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)C2CCCC2)CC1 1740705136 BOTAPYQDWKKKKR-LJQANCHMSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740708668 XWEUFDQDVIDHDI-VQTJNVASSA-N 429.565 1.517 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CCC)CC1 1740825802 UQQBDPACVJMNKX-LPHOPBHVSA-N 427.571 1.319 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@H]1CCOC1 1741917382 DNUVXBNGUCEVLL-DOTOQJQBSA-N 440.570 1.071 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1747430129 FLKUQUIUGDXKDA-UHFFFAOYSA-N 429.506 1.694 30 10 IDEE CN(Cc1ccccn1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747755835 XIIVAIXWLLTINJ-YGCDDZCOSA-N 437.504 1.730 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748117552 OOCGRIWVGMPWCY-SHUBJWRZSA-N 429.525 1.280 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748809788 WFDPLFGHEVBPCV-HXUWFJFHSA-N 438.557 1.916 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1748826291 QPRVGPMXMYOPDI-MGPUTAFESA-N 449.964 1.522 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1748846673 JNLFRXXLOCDGFP-HNNXBMFYSA-N 429.477 1.031 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCSC1 1748888607 ZNCJTZIPHOKBEG-QFIPXVFZSA-N 434.525 1.925 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1748968705 ITVQIUAZIWRRER-QGZVFWFLSA-N 448.568 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc3c2OCO3)CC1 1748977346 GPVAXTIMJRAVMS-QGZVFWFLSA-N 427.505 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC[C@H]2OC)CC1 1749008759 BHBSKBAQMAYYRY-HSALFYBXSA-N 445.564 1.537 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1749010548 SGWLKPHLRGGTMZ-TZIWHRDSSA-N 442.608 1.870 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCC1 1749080964 ZNEZMWMBNJMIKV-ABSDTBQOSA-N 436.578 1.962 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCC2)CC1 1749304000 SACQAUDIDNWSKF-INIZCTEOSA-N 425.555 1.073 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749732544 YPTRXDJYUUZETH-HOTGVXAUSA-N 425.555 1.212 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1750046897 BYCJXEOJJKEGJZ-VQTJNVASSA-N 427.505 1.864 30 10 IDEE CSCCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750320442 KWGOLALULYTAFI-VLGSPTGOSA-N 447.565 1.230 30 10 IDEE CC(C)(C)N1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750482551 MOEFBIXPYKTVML-CZIZESTLSA-N 427.553 1.993 30 10 IDEE C[C@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1751985211 AZVWRXISFDJPAW-YGKZAACZSA-N 438.532 1.947 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1752269954 BTPJTMBFAOPADL-OAHLLOKOSA-N 433.520 1.878 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760136118 CLFIYLRBIZCEBC-UXHICEINSA-N 427.597 1.637 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(S(=O)(=O)NC)c1 1760179786 ZOEVOHXOANEZHL-WMZOPIPTSA-N 433.534 1.028 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760285321 BVQKZENWTJFSHR-SJORKVTESA-N 441.557 1.947 30 10 IDEE C=CCn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760512986 FGMLHXBFMSJHIL-JOCHJYFZSA-N 434.585 1.495 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760516326 LGWFMLJDPCNZOV-YLJYHZDGSA-N 439.564 1.442 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccco1 1760523129 NCXDRSFKUZSPEK-UHFFFAOYSA-N 443.533 1.770 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760523686 FRJGJTJRSSBIFS-OALUTQOASA-N 432.569 1.371 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760530888 WFLWZFFWOLSVMM-QGZVFWFLSA-N 426.525 1.165 30 10 IDEE CCCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1765899486 BRMDSQUAUUTFLN-LJQANCHMSA-N 440.552 1.998 30 10 IDEE Cn1cccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767493388 KBEKKRCHNMUYGM-YKNSSVCLSA-N 434.504 1.940 30 10 IDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1768067765 GTPAJFSAUDAXHK-RTBURBONSA-N 427.505 1.994 30 10 IDEE COCc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)c1 1769354244 NEBUNEODKHTBHH-ZCNNSNEGSA-N 427.505 1.926 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1F 1769844689 BUMPMEXCGJMBKQ-QGZVFWFLSA-N 435.525 1.928 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1770335413 CWYJLPXDYMGDAV-LJQANCHMSA-N 444.561 1.162 30 10 IDEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCN(S(C)(=O)=O)C1 1770423907 CGINBZZPWCBEAW-IRXDYDNUSA-N 446.577 1.897 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC[C@H]2CCOC2)cc1 1770732637 FTHQHIXNUCJYMW-GOSISDBHSA-N 438.532 1.962 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCOCC2)c2ccc3c(c2)OCO3)CC1 1853483406 QEOCMVMHHITKPZ-UHFFFAOYSA-N 437.518 1.454 30 10 IDEE C=CCN([C@H]1CCCCN(C(=O)COc2cncc(Cl)n2)C1=O)[C@@H]1CCN(C)C1=O 1854083066 YSGPUWPGIDWSLF-LSDHHAIUSA-N 435.912 1.135 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1856697144 SRXGBZWNIYTNGX-MRXNPFEDSA-N 425.938 1.740 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc(Cl)c3C)C2)CC1=O 1856803880 VWQQNLKNLLMTLZ-KBPBESRZSA-N 428.894 1.531 30 10 IDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(CCO)CC2)nc1C(F)(F)F 1872799618 JJRUJTYHEDTFEA-LLVKDONJSA-N 434.440 1.125 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)CC1 1889528215 MAXMEGQRDMIKAE-UHFFFAOYSA-N 435.572 1.803 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637413 LANUNBPGUVKHCF-NWANDNLSSA-N 430.314 1.970 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC1 2082042156 VOSPDGKFHKBFIY-HNNXBMFYSA-N 437.346 1.935 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2248443210 ZMZJFTCLELHPAU-CYBMUJFWSA-N 439.343 2.000 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254789796 FIVUCVBQLDOLQJ-MRXNPFEDSA-N 431.342 1.941 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608773 PAXDGCWXASVBBV-RDJZCZTQSA-N 425.342 1.365 30 10 IDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N(CC(N)=O)Cc2ccccc2)OC1(C)C 2255799414 IEDLSDAIVIEYIS-UHFFFAOYSA-N 444.362 1.803 30 10 IDEE CON(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2255819908 IRFYMEVGQBTEIV-UHFFFAOYSA-N 436.318 1.342 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2256624878 PVHFYOBPPGTAHX-MRXNPFEDSA-N 432.326 1.761 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)CC3)[nH]n2)OC1(C)C 2258237083 MLMAQIALWMKKEO-LLVKDONJSA-N 430.236 1.382 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1 2267177506 OMDVHEDLRATTGA-RCDICMHDSA-N 446.357 1.849 30 10 IDEE COc1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2317500976 AJYPSXBZUZEJCO-LSDHHAIUSA-N 435.330 1.203 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2329056002 QEZIFHHKTSPQGF-CYBMUJFWSA-N 434.478 1.583 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 24621759 AUVNQBPGPBYWQZ-CQSZACIVSA-N 441.454 1.662 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)CC1 27558990 HNNLZIRCINFBIP-UHFFFAOYSA-N 434.562 1.272 30 10 IDEE COc1ccc(CCN2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254677479 JQUCSJTXJNTFBZ-HZPDHXFCSA-N 440.543 1.590 30 10 IDEE COc1ccccc1C(=O)NC(=O)COC(=O)CON=C(C)c1ccc2c(c1)OCO2 254771191 JLECDMSBDKEEBX-UHFFFAOYSA-N 428.397 1.664 30 10 IDEE CCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1 299814333 DIQMOLNTZYUDBX-XFWGSAIBSA-N 425.526 1.714 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 427704510 KAUPCMUCEXFRDC-DLBZAZTESA-N 435.480 1.597 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 437045540 KJBDFEUONCRLMF-SUMDDJOVSA-N 436.530 1.675 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C#N 489233786 PCONMPSKYXSHDE-UHFFFAOYSA-N 434.543 1.915 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 504714640 FHELSOJUKWXTND-SJLPKXTDSA-N 433.472 1.338 30 10 IDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 513436896 KSMLEVYWZOVXHE-UHFFFAOYSA-N 437.465 1.812 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 514645297 HYWPKCLBTMEVJR-GOSISDBHSA-N 432.505 1.626 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 540696650 RYDHOERQWYHTCK-UHFFFAOYSA-N 444.557 1.076 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 555253613 NGFOCFUPJAKCQK-LSDHHAIUSA-N 440.595 1.884 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 582329337 MHLINFAUFXOHTK-BBWFWOEESA-N 427.571 1.438 30 10 IDEE COCCN(CCC#N)C(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 589431499 DWOVHRPYEKIXPE-ZEVCKCCMSA-N 433.508 1.854 30 10 IDEE CSc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 608921517 MSWOYFCQRZZJOR-UHFFFAOYSA-N 445.526 1.147 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)[C@H]1CCS(=O)(=O)C1 729330407 CSRLUIUZRFEVLL-KRWDZBQOSA-N 438.571 1.432 30 10 IDEE CC(C)CN(C(=O)CON=C(N)c1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 747838839 NXZCQJWRJVDMOC-LLVKDONJSA-N 436.328 1.351 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@](C)(O)C(=O)O 757330157 OOXCNIHWLINGMB-YKSBVNFPSA-N 436.464 1.869 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N(CCO)Cc1cc(Br)cs1 757652953 XHTDTSAUXRZRPA-FOCLMDBBSA-N 428.308 1.748 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)CCN1C1CC1 758305380 GOZOEZJYCAAHIR-WOJBJXKFSA-N 432.546 1.790 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(c3nnc4n3CCC4)CC2)C1 758765977 DDFOOUHHRUWURV-HOTGVXAUSA-N 429.525 1.872 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 758769751 JNSLKEAPQADDKM-HLLBOEOZSA-N 433.484 1.528 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cnn1CCO[C@@H]1CCCCO1 759171197 JVQJGPMEMVNHOV-LJQANCHMSA-N 432.502 1.866 30 10 IDEE C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 759715070 DBOLICDENYOKMD-RIYZIHGNSA-N 449.558 1.407 30 10 IDEE C#CCCN1CCC(NC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CC1 771516102 ONAAIBOAFOYQNL-HSZRJFAPSA-N 426.517 1.375 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cc[nH]n1 772207321 QQHFTQNBEUWUPK-UHFFFAOYSA-N 425.445 1.635 30 10 IDEE O=C1C[C@@H](c2cccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2)CN1 772584291 WQLUSYCCMLSWJW-OAHLLOKOSA-N 426.498 1.748 30 10 IDEE C#C[C@H](NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)[C@H]1CCCO1 775331336 YLKKZLXUXGLRAH-LSDHHAIUSA-N 443.319 1.099 30 10 IDEE Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2C)c1 777254111 HXOQWKPUJBAOFB-FMQUCBEESA-N 436.472 1.379 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccsc1 783065153 WJKUSKRHTYJYTG-GVXVVHGQSA-N 440.547 1.272 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)n1 788695436 NLHFBVLPNNKPGE-UHFFFAOYSA-N 439.559 1.374 30 10 IDEE C#CCNc1nc(NCCc2c(C)nn(C)c2C)nc(NCCc2c(C)nn(C)c2C)n1 804345034 SJVNFDBLBFGFRB-UHFFFAOYSA-N 436.568 1.927 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 812175308 MYBGAYMSGUJMHH-HOTGVXAUSA-N 434.541 1.830 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(C#N)ccc1O 813500713 JTDNFIVSEZLECY-UHFFFAOYSA-N 444.513 1.851 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 813562889 NAEMBAUILINOCE-WFASDCNBSA-N 439.969 1.474 30 10 IDEE N#Cc1ccccc1NC(=S)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 915999155 HZJQNZNATQEBAZ-UHFFFAOYSA-N 430.559 1.392 30 10 IDEE CS(=O)(=O)N1CCCc2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)ccc21 916178939 VNSYMHCJKXKYMV-UHFFFAOYSA-N 433.511 1.530 30 10 IDEE Cc1ccc2c(c1C)NC(=O)C2=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916332989 LKBHWWBHYUZAAH-UHFFFAOYSA-N 428.518 1.403 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(C)cc3)n[nH]2)cn1 1084428150 UDMPNIPKCBRLML-UHFFFAOYSA-N 428.522 1.811 30 10 IDEE COCCn1cc(C=NNc2nc(SCCC(=O)NCc3ccccc3)n[nH]2)cn1 1084604123 MAXIDKFIZMFKBO-UHFFFAOYSA-N 428.522 1.892 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 1115889729 DVZQNGXHUTVRPS-SFHVURJKSA-N 426.498 1.520 30 10 IDEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nnn1-c1cnn(C)c1 1125202516 NCVYIIBPFFYLMT-QJOMJCCJSA-N 442.505 1.374 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1164670925 ATXWVYDQYHQORU-NXHRZFHOSA-N 442.375 1.933 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)c1 1165664327 QMQXRMHSECIDNT-HSZRJFAPSA-N 434.452 1.878 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OC 1194895982 DQPIKZBFQMRGFT-KRWDZBQOSA-N 430.548 1.647 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 1213832074 VLHPESOCFWVXQH-UHFFFAOYSA-N 427.592 1.339 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@H]1C(=O)OC 1252509009 WFEIFTQEMJDCAX-RTBURBONSA-N 428.489 1.126 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccnn1C 1264353737 RYZRTTCAAZZARB-MOPGFXCFSA-N 434.418 1.895 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CC1 1286280197 URXMJNNVBUXHRE-AWEZNQCLSA-N 436.559 1.384 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1286391678 FLYSAFCCAADLPJ-RDGPPVDQSA-N 436.578 1.614 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2oc(CC)nc2C)CC1 1286485717 VQQQPMIPBUOJRG-UHFFFAOYSA-N 441.536 1.289 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2([S@](C)=O)CC2)CC1 1286489677 BZUNZAFONCYDIF-PMERELPUSA-N 428.562 1.161 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCOCCOC)CC1 1286489958 DVVFVFIJTIFRHM-UHFFFAOYSA-N 426.521 1.277 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[S@@](=O)CC)CC1 1286491331 NIKNFVVXOGIZKL-HKBQPEDESA-N 445.564 1.742 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286592200 QBHVPNHZGIUDIG-CVEARBPZSA-N 444.536 1.949 30 10 IDEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1286709351 QUJXRKBPKHIFHB-INIZCTEOSA-N 442.520 1.769 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)cc1 1286797237 SLISTDVTRNUUDU-IRXDYDNUSA-N 445.545 1.105 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 1292889629 IRFSIDXWKVDBPZ-CQSZACIVSA-N 435.160 1.166 30 10 IDEE CN1C[C@@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1296993945 GAUZQSMBWLJSFZ-INIZCTEOSA-N 427.505 1.543 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1297653566 IXIOYAADSGTCIO-IERDGZPVSA-N 447.561 1.882 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1298917041 SVVTWDXJDLGQDO-ZWKOTPCHSA-N 435.532 1.646 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1=O 1299143403 DFEAYGAIGYUNKI-RBSFLKMASA-N 434.493 1.115 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NCc1ccccc1 1300270798 FHYZFWXYAPJTHZ-HOTGVXAUSA-N 432.550 1.053 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1300547360 KOOXYAOGGZKIFC-SFHVURJKSA-N 428.537 1.949 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)F)CC1 1300779479 XEXOPWAWNLCEFC-RDJZCZTQSA-N 429.537 1.756 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1300949039 NREGCLWMWJOVMB-LJQANCHMSA-N 437.548 1.244 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1301423930 DUMUOQULVQAWSV-SFHVURJKSA-N 425.599 1.695 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301491021 CCEWIBRTKKNLDJ-HNNXBMFYSA-N 443.939 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1301491462 RFTPJYJEIMDESD-UHFFFAOYSA-N 428.500 1.841 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1301494358 LRYRIJVUPHPSHG-GGAORHGYSA-N 431.540 1.844 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1301501652 ZOUFULDFDNMDHM-LBPRGKRZSA-N 433.456 1.181 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301514564 KNHJMUZQDZMVDP-RHSMWYFYSA-N 428.468 1.013 30 10 IDEE COCCOCCCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1302214764 VOCDQHHALAOUFC-UHFFFAOYSA-N 428.541 1.449 30 10 IDEE NC(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1303024669 LLFJREJWRONWLS-XZOUCZQKSA-N 427.509 1.164 30 10 IDEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCS(C)(=O)=O)o1 1304317125 PQIQQOSNFHOSRH-UHFFFAOYSA-N 428.474 1.426 30 10 IDEE Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304869776 ZBTFRLXBWIKSBC-ONNQFXDFSA-N 444.442 1.969 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC2CCN(C(=O)OCc3ccccc3)CC2)c1=O 1307274030 KOUGZXRMCHBUBW-UHFFFAOYSA-N 440.500 1.593 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccc(C#N)cc3)CC2)ccc1C 1308010840 BUOZQULEAZAKMW-UHFFFAOYSA-N 427.530 1.536 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 1314922607 FYDAJFRTFCAAOO-APWZRJJASA-N 436.438 1.651 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358962750 WBMFIGVJAKFGDN-FHWLQOOXSA-N 435.594 1.487 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1358969895 ZJQSBOIYTDSZII-VQIMIIECSA-N 446.552 1.403 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CCCO2)CC1 1359040490 XATFMENFSYJBPR-HSZRJFAPSA-N 444.580 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359335946 ZNJBWVYGSJNCPE-UHFFFAOYSA-N 438.554 1.665 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1359614069 RKNFCNLGBHUNPI-DEOSSOPVSA-N 449.559 1.990 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1361015555 CSDUNSFWRPMQHV-QGZVFWFLSA-N 438.488 1.717 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cc2=O)n1 1440679790 CNXGOXFNZRMVSE-IBGZPJMESA-N 435.463 1.734 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)c1 1446708937 GDWGCXHFZVKNPX-UHFFFAOYSA-N 448.522 1.882 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CC1 1455115325 OEHSGUAZZWZPEB-IRXDYDNUSA-N 444.582 1.958 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1467725020 LLEFUYDMTBJXTC-UHFFFAOYSA-N 425.551 1.296 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(c2nc(-c3ccccc3)no2)C1 1472015880 CBPNCHWKMQUXPZ-CQSZACIVSA-N 437.481 1.901 30 10 IDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H]1CS(N)(=O)=O 1472154247 HSWOXSCYYQCNSU-QTHJGGCBSA-N 440.566 1.156 30 10 IDEE CCn1cnc2c(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc(Cl)nc21 1472651734 FNJWPQULKUGUHV-UHFFFAOYSA-N 431.909 1.882 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)C1 1475667839 WJKPEOXOSDDQCN-INIZCTEOSA-N 431.480 1.674 30 10 IDEE Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1/N=CC=CC1=O 1492784498 FSGZSRWDBHVXGQ-HNENSFHCSA-N 425.449 1.700 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1502674631 MKURXVKPUTWJKD-LTUZMPEJSA-N 430.509 1.303 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC(=O)NC2CC2)cc1 1505318448 ICTISPDAUYYLBZ-INIZCTEOSA-N 437.504 1.099 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507630347 XGVOFCUHWYEPKU-LJQANCHMSA-N 444.605 1.642 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H]1C 1507647405 DJVSJYAYEJAYNL-SFHVURJKSA-N 429.528 1.749 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)COCCO1 1507707732 CHYKMCVLMDBMAB-JOCHJYFZSA-N 430.505 1.854 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@H]2C1 1507747393 HDTVZNXPOUSLAY-GOSISDBHSA-N 428.518 1.741 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1507875760 XGSMZDZFLGKZED-PMACEKPBSA-N 425.961 1.984 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc2ccccc2[nH]1 1508059216 QZYBNGNLVCRQFH-GOSISDBHSA-N 430.534 1.915 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC)[C@H](C)C1 1508078703 GMJJGIWFRDVRAJ-MRXNPFEDSA-N 428.537 1.795 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 1508137046 XULFPOMAJZYUBC-UHFFFAOYSA-N 437.953 1.868 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(C)CN(C)C1=O 1513021638 YRXQZZROVINSDK-IVZQSRNASA-N 439.568 1.510 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NCc2ccco2)CCOC1 1516169319 LIMSFUJJCMRQOF-QFIPXVFZSA-N 442.520 1.970 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)c1 1516183564 DCNMMQPCYOIRTJ-ZUGOUDHMSA-N 440.525 1.896 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[S@@](=O)C(C)(C)C 1516585441 DMNVZKCVWXALOK-WJOKGBTCSA-N 445.593 1.955 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1=O 1517408356 XXKZGDACYVYLDS-UTKZUKDTSA-N 442.545 1.308 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1539016385 UCIBQJKUIJWPOQ-IEBWSBKVSA-N 445.589 1.627 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCS(=O)(=O)NC(C)C)c1 1539044231 ZWOHAUPFZQEKIB-UHFFFAOYSA-N 432.550 1.225 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cscn2)CC1 1539079552 VNTGKXWNLGTYFT-UHFFFAOYSA-N 427.578 1.983 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539219958 GFDOXNQGWBATQG-MLHJIOFPSA-N 449.577 1.061 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1539229853 IUGSZMPDHYYFKR-XBBWARJSSA-N 448.614 1.459 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC 1539315862 XEVZARFWILZHJY-UHFFFAOYSA-N 438.513 1.612 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1539429847 CWBFGIAVWWWBCN-WKRVVKTRSA-N 449.621 1.375 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCSC)CC1 1539446369 XJWLYCLRBPQGMY-UHFFFAOYSA-N 437.573 1.700 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)C(C)C)CC1 1539475698 MTXRCQMKSPBHQS-UHFFFAOYSA-N 425.537 1.022 30 10 IDEE C#CCSCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539530905 PCVFSQWCCMDZOB-PGRDOPGGSA-N 447.605 1.886 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1539631513 LQBOUXXLKONKFJ-LMMKCTJWSA-N 446.577 1.630 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC2(CCC2)C1 1540861809 HLGBIHQNTLBTFW-UHFFFAOYSA-N 425.493 1.235 30 10 IDEE CC(C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541688588 DMZHDVNVAFRDKN-CQSZACIVSA-N 425.493 1.232 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1548337248 RWVGMKDBQXSLGZ-CYBMUJFWSA-N 437.526 1.074 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H](C)O1 1555388764 KPENVZBUIDRGHN-NMLACTOBSA-N 427.505 1.597 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CC1 1555663179 QYWBBZAFEOOXAQ-MRXNPFEDSA-N 427.509 1.120 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1555806339 DAOMHNOYDRDMCV-KRWDZBQOSA-N 445.549 1.158 30 10 IDEE Cn1cc(Br)c(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1556676651 JWJARGBGGICPBT-UHFFFAOYSA-N 440.323 1.318 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 1558073407 RCDOJNUHARDWGW-UHFFFAOYSA-N 426.498 1.164 30 10 IDEE C#CC[C@@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1569857876 XMPONNZWUYVKBU-HNNXBMFYSA-N 430.936 1.541 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1587847619 OXTBFAHRZSQGEJ-OAHLLOKOSA-N 429.502 1.046 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1588124436 MAEGXPFIJUJUGH-HSZRJFAPSA-N 432.484 1.070 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1588173755 JHTFBLCFYVMULC-UHFFFAOYSA-N 440.529 1.356 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1588228378 FDJUJFXQZGHWIC-FXAWDEMLSA-N 435.619 1.080 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1588800231 BHIDVZRQTZUPEO-UHFFFAOYSA-N 442.568 1.691 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H]2COCCO2)CC1 1588929750 FWRVOEOZAZXZCF-OALUTQOASA-N 431.537 1.291 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1595530189 WGANWXKPQKXIBT-MRXNPFEDSA-N 429.525 1.003 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595562265 RXPDLWBENROOPI-KRWDZBQOSA-N 425.537 1.259 30 10 IDEE C=CCSCCn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1595884928 XCVLJUGWSCSGMS-MRXNPFEDSA-N 429.612 1.391 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1611977398 RGYXKXXZNJNCIY-ROUUACIJSA-N 442.495 1.778 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCCCO)n1 1612501458 OHQSZUQYNCCHQX-UHFFFAOYSA-N 449.563 1.896 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC(F)F)n1 1612501636 VXLVRHCXERXMHA-QGZVFWFLSA-N 434.495 1.946 30 10 IDEE Cc1nc(C#N)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C 1614768655 NKPKVGHEHDHTPB-ZIAGYGMSSA-N 431.518 1.808 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1615666403 FOEDXLJVTSZJBS-OALUTQOASA-N 447.561 1.739 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCc3c(C#N)cccc32)c1 1616596955 SDFYYFUTUXGZCK-UHFFFAOYSA-N 428.514 1.730 30 10 IDEE CO[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1618989392 OAWQGAFQIUXAJU-MSOLQXFVSA-N 438.536 1.493 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)s1 1622096507 QFAFJPZFDGASSJ-IAGOWNOFSA-N 427.592 1.515 30 10 IDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 1635104223 JEXKTVWMBFGDKZ-FQEVSTJZSA-N 438.484 1.486 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)c1 1635119671 VSHQDZCPDNIPHI-GOSISDBHSA-N 425.466 1.997 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc2Cl)C1 1640070684 YRIPSJAFTKPGIZ-UHFFFAOYSA-N 434.901 1.994 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 1640201718 MVBCZCZTLWMLDB-UHFFFAOYSA-N 433.350 1.557 30 10 IDEE CCCCn1nc(C)c(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n[nH]2)c1C 1645990894 GIELPJNYCOZPBR-MGPUTAFESA-N 430.534 1.701 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 1652921653 FJRBWKWHZMEKKN-XOMICKMZSA-N 430.892 1.977 30 10 IDEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc21 1662001404 PTMOCGOUISCSEW-FMQUCBEESA-N 446.529 1.526 30 10 IDEE N#C[C@]12CN(C(=O)NCCCS(=O)(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1673223909 OGAZQTHPOUCDPR-SUMWQHHRSA-N 445.950 1.084 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1 1677401520 FFZJYXGVWGBVAH-VQIMIIECSA-N 430.505 1.214 30 10 IDEE N#CCNC(=O)CNC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 1682186436 UORKCIACNLUJNB-UHFFFAOYSA-N 427.274 1.619 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1684731678 LLIGGWKKSPHPII-HXUWFJFHSA-N 428.514 1.792 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1685327571 GZPCRHRYVPUIEY-UHFFFAOYSA-N 447.543 1.687 30 10 IDEE CN(c1cccc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1)S(C)(=O)=O 1685626987 ODANLGDMBKHMFT-SFHVURJKSA-N 429.502 1.712 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(N)(=O)=O)cc1 1689868534 JMVLVYPDUASYIV-IEZWGBDMSA-N 447.561 1.350 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689980708 WICNPEKJHCVNRC-KRWDZBQOSA-N 429.546 1.350 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690017454 DQNXSWCPZIRASZ-LJQANCHMSA-N 441.557 1.891 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1690092733 SZWTXOREEFSFFV-QGZVFWFLSA-N 448.568 1.902 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCC2CCOCC2)CC1 1690142122 ISEJJAGLLGQLDH-UHFFFAOYSA-N 439.564 1.851 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1690659489 UWIYKYASAXJFRW-UHFFFAOYSA-N 441.536 1.470 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1691006877 REYYZZSTDDSYDS-ZDUSSCGKSA-N 426.493 1.682 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCCS1(=O)=O 1698150534 ODPZILLVAOHLCE-LPHOPBHVSA-N 440.570 1.168 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1705565207 UBWAIHATMJUZBP-IAGOWNOFSA-N 448.545 1.242 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705565466 IKNMFPBCYCNFSC-FHWLQOOXSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705566362 MZODFTFLNDJRKY-PWIZWCRZSA-N 444.557 1.510 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1705570369 MQSDXYIVYVUUTI-IRXDYDNUSA-N 442.607 1.071 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(COC)n1 1705589339 PHLZLQCELGPPDI-AWEZNQCLSA-N 436.563 1.002 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1705754687 DCSYAFCHYVBXSH-JKSUJKDBSA-N 447.989 1.411 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCS(C)(=O)=O)CC1 1705761617 UVCRKHFFVZSWBK-UHFFFAOYSA-N 434.522 1.143 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CC)C1 1705900478 FHHBDAIFBHCXIS-HNNXBMFYSA-N 437.504 1.109 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 1705902572 HLNUWEKHIWDDLL-RTBURBONSA-N 443.573 1.551 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)C1 1705922246 JCJVMCDLIOSJPA-OAHLLOKOSA-N 430.534 1.757 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1710330358 SBVGOLGTOPDVFZ-GOSISDBHSA-N 429.500 1.059 30 10 IDEE CCOCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1710627332 FRZNEGTUIIDHMB-CVEARBPZSA-N 442.586 1.270 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1710824627 SISCPVGRGZMHQR-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1712381510 WSUDUDPDRSBORX-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1712647709 HNWFJTSVSNKTEN-YJNKXOJESA-N 433.431 1.698 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Cl)c(OC)c2)CC1 1722437091 PNBSPKQYHNDBGD-GOSISDBHSA-N 442.951 1.889 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2OC)CC1 1722437684 VVLKBKBMZXTMHZ-ZWKOTPCHSA-N 438.532 1.461 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCN(C)C)CC1 1722437828 IXOFIPFZJLBDPK-UHFFFAOYSA-N 448.575 1.464 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722462809 SJFNDBAFFBRLSN-GOSISDBHSA-N 427.578 1.707 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCCCO)C1CC1 1722510882 XNFOFEXXZSUSKA-SCTDSRPQSA-N 438.594 1.903 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC)[C@@H](C)C1 1722618879 WONVSACTQWERNW-IRXDYDNUSA-N 426.587 1.108 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)SC)C1 1722719470 UUQFKRLGDQMSSI-BZUAXINKSA-N 445.611 1.144 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1724003254 KORLCHXNXCIQLR-MWDXBVQZSA-N 431.468 1.826 30 10 IDEE COc1cc(C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1729960870 CPMAIQUSWMZYTN-DLBZAZTESA-N 431.518 1.274 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@@H](C)O1 1730591667 DXUCVUHBCDAYDS-APWZRJJASA-N 426.521 1.925 30 10 IDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1740615403 CYTYMOFGAQFAHI-KRWDZBQOSA-N 447.948 1.823 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740644053 RYXIEMVZPCUJNT-QURGRASLSA-N 448.458 1.595 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1740657127 QFOSSSQUKCAXSP-FQEVSTJZSA-N 426.542 1.860 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1 1740680133 RYVQNXZXYPFAKS-CQSZACIVSA-N 425.942 1.676 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(N(C)C)CCSC2)CC1 1740689261 SZIJUUOKBNGOFZ-JOCHJYFZSA-N 447.653 1.389 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740710249 TWIYKXQNARYKOS-UHFFFAOYSA-N 440.573 1.944 30 10 IDEE C=C(Br)Cn1c(Cc2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1740745837 HPECCVIQJPEMLE-UHFFFAOYSA-N 446.346 1.902 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1740851081 PVZRKYMXVMRNIO-INIZCTEOSA-N 439.582 1.078 30 10 IDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740859401 LCIMUFBUDJHGGV-SFHVURJKSA-N 447.561 1.656 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1740946693 BEBVSEYLAXFHDG-SJORKVTESA-N 427.571 1.235 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1CN1CC[C@H](O)C1 1741634661 FMRCXHNAPOJUIV-PXNSSMCTSA-N 439.564 1.770 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1741801701 FDVJCJJHDYWYPX-BZUAXINKSA-N 447.540 1.603 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1745883341 GRAWHSYJXZYNNY-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE CCOC1CC(Cn2c(N3CCO[C@H](C#N)C3)nnc2C(C)(C)C)(N2CCOCC2)C1 1746910412 CJHCASVGGGBXKZ-WUZYXKQASA-N 432.569 1.574 30 10 IDEE C#CCCCCn1c(N(CC#C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748726548 GIVHYGOCXHVDCU-DENIHFKCSA-N 448.589 1.749 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1748816281 YNZJANMVKXFGJM-QGZVFWFLSA-N 432.550 1.887 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1748962125 AKPJCRAFOYIIRU-XMSQKQJNSA-N 444.557 1.100 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(F)c(F)c2)CC1 1748994772 QMIPTAMGPGYOMA-UHFFFAOYSA-N 444.486 1.513 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCN/C(O)=C1\N=CC=CC1=O 1749055270 GHKNPDPGWCZELF-FMZSFSCUSA-N 442.520 1.521 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749434408 RMUDIFGGHKUJBC-LJQANCHMSA-N 443.596 1.500 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1CC(F)(F)Br 1749832370 FXALIWZREJJFSX-UHFFFAOYSA-N 435.273 1.755 30 10 IDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1750905913 SOFZSSOKPHCRBZ-QHCPKHFHSA-N 437.548 1.737 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)C(C)C)c1 1760128782 SHQHLEXFNMLVFN-MOPGFXCFSA-N 438.532 1.956 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)C(=O)C1 1760139481 DWLOYOAUODYWKU-UHFFFAOYSA-N 435.532 1.615 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760185884 GJTZLYJORMXYCO-DLBZAZTESA-N 442.607 1.243 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1760188708 CDKVWGKQKFLZSO-GOSISDBHSA-N 428.562 1.367 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1 1760193886 UUHMONXDDBFTHI-NRFANRHFSA-N 443.960 1.802 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1760225066 GPOZZAFUKQZJAJ-INIZCTEOSA-N 430.578 1.779 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CC1 1760257927 COORWXFCASXOMF-FQEVSTJZSA-N 433.560 1.540 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1760313187 KLSZLVUEYPLSKW-HKUYNNGSSA-N 440.552 1.514 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760407124 VBBRDVASJRIUKP-FTRWYGJKSA-N 441.598 1.875 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760422260 KBTMTTLABLSZAH-MRXNPFEDSA-N 440.614 1.939 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1760488022 JPJJYUJZDMYNSH-VQIMIIECSA-N 438.575 1.933 30 10 IDEE Cc1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1762142521 BAPWZZLQFAPAMI-KXBFYZLASA-N 436.513 1.718 30 10 IDEE CCn1cc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC)CCO2)cn1 1765302872 HNXDWGHPMPZSJL-LJQANCHMSA-N 434.504 1.747 30 10 IDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1766759920 KRLRHYBQZAFYRG-JCOAXYOVSA-N 445.545 1.493 30 10 IDEE CCNC(=O)N1CCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1767233508 ZPUHTQIKTIQCDO-KIJUOZEOSA-N 444.540 1.170 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C[C@@H]1C 1769477889 QKKRDPDLLPVPKV-YCRPNKLZSA-N 442.545 1.962 30 10 IDEE COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769794392 XPGSZVQCSWRGAD-UHFFFAOYSA-N 448.531 1.377 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 1772791083 YJMUJARZJWQZAL-HNNXBMFYSA-N 425.422 1.354 30 10 IDEE C=CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(F)c1)[C@H]1CCN(C)C1=O 1849204250 RMUABXNCOHCBFL-ROUUACIJSA-N 425.526 1.764 30 10 IDEE CN(C)C(=O)CN1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CC1 1851330797 PIEIAJVXGLIOBH-UHFFFAOYSA-N 448.449 1.999 30 10 IDEE Cc1cc(CN2CCN(C(=O)CCON=C(N)c3ccc(OC(C)C)cc3)CC2)n[nH]1 1853421011 RUJVSYXWBHVXLA-UHFFFAOYSA-N 428.537 1.877 30 10 IDEE COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854388218 LLROMSNORDFOGP-SJORKVTESA-N 431.514 1.636 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC(C)C)CC3)OC2=O)CC1=O 1855148936 HBNYXOVTTNRUJM-DLBZAZTESA-N 441.550 1.066 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)C4CCC4)ccc32)CC1=O 1856778911 UNXAQZYXTVZSHR-HNNXBMFYSA-N 431.514 1.310 30 10 IDEE O=c1c(Cl)c(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cnn1[C@@H]1CCS(=O)(=O)C1 1873528581 COPXSUKLMDNLGA-OMEHRSSBSA-N 427.826 1.316 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 1899544006 PPKROVJAJZHHHG-ZDUSSCGKSA-N 432.348 1.228 30 10 IDEE CC1(C)OB(CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)OC1(C)C 1956235159 XNQOISYJCXHUCV-IBGZPJMESA-N 440.302 1.562 30 10 IDEE C#CCOCCOCCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2069488041 MJMAYPZDFOZUIP-IBGZPJMESA-N 448.516 1.796 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124533213 BOAAFZIVTZKGLF-HIFRSBDPSA-N 448.329 1.332 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2184059552 NFRRMTNIUNIEQZ-KKUMJFAQSA-N 440.294 1.990 30 10 IDEE C#CCOCCOCCS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195259983 FEBWCRWHPJSLIR-QGZVFWFLSA-N 441.502 1.226 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255603073 AMRCDTNGBMYICS-FQEVSTJZSA-N 436.318 1.123 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630631 MVSNMOALFZZJCX-NJDVURJYSA-N 438.309 1.834 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255632427 MVPUGDWNTARUNM-UKRRQHHQSA-N 432.330 1.790 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255635351 YMXNVTOTSFTFDR-KBPBESRZSA-N 434.346 1.671 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CN(C(=O)OC(C)(C)C)C1 2255694391 NNOXXDZXTOIRNA-UHFFFAOYSA-N 435.334 1.101 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCO)CCNC(=O)OC(C)(C)C 2255695327 CUEFMHRCEABUPW-UHFFFAOYSA-N 437.346 1.284 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NCCN(CC(=O)O)Cc3ccccc3)c2)OC1(C)C 2256922448 FZVPIUDPPFRBHR-UHFFFAOYSA-N 427.310 1.631 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2259346394 SUBRVHSOHYAGHF-ZFWWWQNUSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267162514 PTYNIQLCJVDECL-RCDICMHDSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267265131 AWKSJFXGUUZQBC-GDBMZVCRSA-N 447.341 1.650 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)nc2)OC1(C)C 2267547994 OXLYRYNMNFXLNL-IBGZPJMESA-N 433.321 1.626 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267564185 SBJUOSFPMSOTLO-RHSMWYFYSA-N 449.357 1.662 30 10 IDEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2269771724 POXSSAWONZNAAX-HNNXBMFYSA-N 448.329 1.740 30 10 IDEE C[C@@H](F)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284411119 GKIJTWJCBOCKMA-GMSGAONNSA-N 427.712 1.790 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2351716949 CLYYYWGRVPRQSJ-HNNXBMFYSA-N 449.357 1.807 30 10 IDEE C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@H]12 257454155 JIEVJXRUYDZFTD-BHHMAECYSA-N 448.468 1.945 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)n[nH]1 440754116 QRRAKIDVLSVQKJ-UHFFFAOYSA-N 429.484 1.191 30 10 IDEE CSC[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 461299338 VXWNBWJBCODKPH-BRWVUGGUSA-N 438.513 1.984 30 10 IDEE CCN(CC)C(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487156426 JSITWVAOCIJPSL-FQEVSTJZSA-N 425.533 1.949 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)C1=O 490217310 OJLHAYLXKFYHAA-FUHWJXTLSA-N 434.443 1.582 30 10 IDEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 502690275 AIHNBCWSILMOQZ-ROUUACIJSA-N 448.527 1.854 30 10 IDEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 506323472 AALXRQWQUJRPLI-HNNXBMFYSA-N 428.518 1.454 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 511361576 NDRLJJZIUXMHAD-ZDUSSCGKSA-N 436.353 1.413 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(c4ccc(F)c(F)c4)CC3)CC2)o1 572184996 XYASIYMPGSBEDS-UHFFFAOYSA-N 444.486 1.994 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 583112550 UJAZTTTWRRKZIX-LJQANCHMSA-N 432.569 1.323 30 10 IDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 585088993 XHQRHGNAMVEFSP-HXUWFJFHSA-N 449.509 1.462 30 10 IDEE N#Cc1ccc(COCC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)cc1 585222211 SGGWDTZZGURKMR-UHFFFAOYSA-N 433.530 1.656 30 10 IDEE COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 611643318 ASSHPCGOAAEDFA-QGZVFWFLSA-N 442.497 1.938 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615486694 IAGAAVRYHNKMIR-OAQYLSRUSA-N 442.541 1.958 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669810672 VYRZSBQMAKGAHT-LPHOPBHVSA-N 431.585 1.371 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 725747215 PSBNSILTHXOLRC-INIZCTEOSA-N 427.482 1.142 30 10 IDEE N#C[C@@H]1CN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)CCN1C1CC1 732672606 KTCYEUGTISJODQ-HXUWFJFHSA-N 439.589 1.929 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)c1 744553130 BIRYBLIBDJCIBD-QGZVFWFLSA-N 438.502 1.886 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(-n2cc(Br)cn2)nn1 749362929 NXEZENUZLXUAKB-UHFFFAOYSA-N 434.298 1.113 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 757010392 KIKOQCTXLFDBOP-HNNXBMFYSA-N 428.514 1.519 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC(OCCCO)CC2)cc1 757202506 UVJHSUUPPCIVCA-ZBJSNUHESA-N 438.550 1.895 30 10 IDEE CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)CC2(C#N)CCCC2)CC1 758997879 WQNSANOMAOBOBO-UHFFFAOYSA-N 428.555 1.507 30 10 IDEE N#Cc1cccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 764750510 IFUGAXILMBSQIW-UHFFFAOYSA-N 443.481 1.166 30 10 IDEE C#CCN(C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C)[C@H]1CCS(=O)(=O)C1 774037100 QTRWCQJPNGGHJC-HNNXBMFYSA-N 427.548 1.801 30 10 IDEE C#CCN(C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 774164906 VYAKUSVNDOHDNV-WFXMLNOXSA-N 433.574 1.628 30 10 IDEE CC(C)CN(C(=O)CON=C(N)c1ccc(NC(C)(C)C)cn1)[C@H]1CCS(=O)(=O)C1 774781339 OAIWVPOBDFRMFD-INIZCTEOSA-N 439.582 1.601 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 775778101 VLVUIHRHXLVMCT-MRXNPFEDSA-N 427.465 1.896 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)n1 789316769 FBFNJWJCIXYGFI-UHFFFAOYSA-N 428.884 1.233 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc3cnccc23)c1=O 794647255 MXCKLYCTKHMYDQ-GOSISDBHSA-N 429.501 1.590 30 10 IDEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)NCC#N)c1 804820446 ICEYMXHXEYTCDY-UHFFFAOYSA-N 434.905 1.530 30 10 IDEE C#CCN(c1nnc(COCc2ccccc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812394631 FATIUTDGQGGJCB-UXHICEINSA-N 444.557 1.658 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856606306 OIARSRIHDWFMSK-RBUKOAKNSA-N 431.500 1.527 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCc3ncn(C)n3)C(=O)[C@]12C 1075947554 AZFPNDZDKGERPK-RCJYHZQCSA-N 438.440 1.487 30 10 IDEE Cc1ccc(C=NNc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)o1 1083889006 GYOXTZNNZDHVIF-UHFFFAOYSA-N 449.518 1.920 30 10 IDEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1 1083965288 MGHLFVVKBDOIDP-UHFFFAOYSA-N 427.490 1.566 30 10 IDEE CSc1nc(O)c(C(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1C#N 1116861455 RWZSPYJUTFSMAT-MRXNPFEDSA-N 443.533 1.331 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCC(F)(F)F)CC(=O)OC)ccc1F 1126883810 MDXJSUHYYRLCNB-UHFFFAOYSA-N 426.388 1.858 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2COc3ccc(O)cc3O2)c1 1136281357 BVFMNZFARBCDPC-HBNHWDEFSA-N 431.470 1.984 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2c(F)cccc2NS(C)(=O)=O)c1 1149642381 LOAZRQYAQCQRTJ-UHFFFAOYSA-N 438.502 1.924 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1)c1cc[nH]n1 1155897974 BTTICIWXPJSNFO-UHFFFAOYSA-N 439.394 1.717 30 10 IDEE COc1ccc(N(CCC(=O)N[C@H](C#N)CO)S(=O)(=O)c2cccc(Cl)c2)cc1 1157963839 RHKRHCLXARMGBF-OAHLLOKOSA-N 437.905 1.935 30 10 IDEE N#CCC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 1170398593 GAZVWMXBKSOLGT-UHFFFAOYSA-N 449.467 1.664 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCC#CCN(C)C)cc1 1170985072 QADUYGNNQSEPAV-QFIPXVFZSA-N 425.554 1.792 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)C[C@H]1CS(=O)(=O)C2 1198337287 RHBJSDBXGDVFOP-YCRPNKLZSA-N 430.530 1.168 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCOC1 1286460557 FZTDCNOFGRMWMM-JOCHJYFZSA-N 427.505 1.385 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 1286475865 IYPDWCPNKUKKLU-UHFFFAOYSA-N 431.537 1.664 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCNC(=O)C2CC2)CC1 1286485232 XZDCBAOLBLPNDY-UHFFFAOYSA-N 436.560 1.755 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC=CCO2)CC1 1286488863 WIFASROZVLNMPA-PKOBYXMFSA-N 431.537 1.313 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC=CCO2)CC1 1286493471 BXKOOCDBJBMJML-UFYCRDLUSA-N 443.548 1.313 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286504184 NPHLLMOYPZOPIB-UHFFFAOYSA-N 441.605 1.697 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286634159 WQFZXPFFDMVHDR-HXUWFJFHSA-N 446.943 1.707 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OCC)CC1 1286646745 VSPJGMJPYXZAFM-MRXNPFEDSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286786427 RRRHGXDBBZCZSC-GOSISDBHSA-N 429.569 1.820 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2C(C)C)C1 1286811073 ZLPOZJSJNKBAOX-WNRNVDISSA-N 439.582 1.609 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1288304254 CPUANJBRTCYQOS-MJGOQNOKSA-N 441.529 1.338 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 1290136375 SILGRDJGEKJWKN-POTGORPSSA-N 446.548 1.623 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2COCCO2)c1 1300334174 IFMCTZVOHDLSGK-ICSRJNTNSA-N 439.516 1.644 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)CC1 1300701103 GRGLKQSYPLQLKT-UHFFFAOYSA-N 437.516 1.337 30 10 IDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301221438 KESFNNFOTAVBIW-MSOLQXFVSA-N 439.582 1.379 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301483326 ODIWEVPFHVXDJV-KRWDZBQOSA-N 439.476 1.525 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)CC1 1301763135 DAEYHQYXVJQFHM-OAQYLSRUSA-N 437.548 1.596 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1302241150 GRDZDXOKDBCQJX-YVSFHVDLSA-N 440.570 1.022 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1302427408 HTGBWKSHGWUHBO-MSOLQXFVSA-N 442.545 1.499 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCc3cnccn3)CC2)ccc1F 1302858765 DEBINXWOUURPQZ-UHFFFAOYSA-N 433.509 1.081 30 10 IDEE C[C@@H]1N(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1305246446 YUSALTFOLKFHAJ-VXAPJYQHSA-N 444.536 1.702 30 10 IDEE C#CCn1ccc(CN(CC)S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)n1 1309465217 WKOMCNZURUADKR-UHFFFAOYSA-N 442.541 1.990 30 10 IDEE CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1314486710 OAWKHSWFSXJUHN-SJORKVTESA-N 426.525 1.585 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCCn1cc(CO)nn1 1314740933 GZZPKYZEGALJCX-LJQANCHMSA-N 436.520 1.854 30 10 IDEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1315195339 XXJGVTDXUQHMLU-GOSISDBHSA-N 440.552 1.681 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)CC1 1358933833 GAPQHLAQNRJZNT-UHFFFAOYSA-N 442.589 1.984 30 10 IDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1359133141 MHRZEZWFOJVCJJ-IBGZPJMESA-N 438.536 1.774 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](COC)C1 1359328891 QRWWQRPWGMVBDL-IBGZPJMESA-N 434.562 1.960 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Br 1459710857 AIETZZWPZGKVCY-CQSZACIVSA-N 442.335 1.726 30 10 IDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ccc(S(N)(=O)=O)cc1 1460169920 JLXDCEKCMSDYNU-UHFFFAOYSA-N 440.525 1.002 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1470956704 LZSQINLRDKCPSM-INIZCTEOSA-N 438.506 1.348 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 1471450458 AAPNBSUFDGGZDF-UHFFFAOYSA-N 440.736 1.637 30 10 IDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618702 DWSFXJCVXFKBRI-GOSISDBHSA-N 441.488 1.387 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1475392559 CLWRSFAFAYJCEF-UHFFFAOYSA-N 442.541 1.743 30 10 IDEE N#Cc1cn(CCNC(=O)NCC/C=C\c2ccc(Br)cc2)c(=O)nc1O 1479039300 HXBBVJOIAADMMO-IWQZZHSRSA-N 432.278 1.986 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1507615953 CZJWXPBMXAUGII-KRWDZBQOSA-N 432.546 1.900 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1507642317 IVEHORYGASCNGQ-MSOLQXFVSA-N 444.561 1.391 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1507720133 RXNWBEBBZRGWPU-DEOSSOPVSA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1507731547 LKFKMUNKMJOXDD-OALUTQOASA-N 432.569 1.698 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2)CC1 1507740992 RTCXUAAREHILAB-GOSISDBHSA-N 444.605 1.652 30 10 IDEE C=C(Br)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1507792015 CSZLGZOFTHEEEF-BBRMVZONSA-N 449.371 1.462 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507953152 CUSCUJVMHLEIPF-KRWDZBQOSA-N 431.566 1.571 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC1CC1 1507971172 QESLDSUIWKKRFG-UHFFFAOYSA-N 431.566 1.695 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1508061528 YSHKWWGYKSWTBZ-UHFFFAOYSA-N 429.550 1.611 30 10 IDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCOCCN(C)C 1513917834 NEGVUEXPIWZQBH-UHFFFAOYSA-N 428.541 1.482 30 10 IDEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1519071403 FHOWAGNTXMGDOX-SFHVURJKSA-N 444.561 1.415 30 10 IDEE CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 1535893382 VTRXOYPLWUELFQ-UHFFFAOYSA-N 436.515 1.717 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1539013799 JVRSXGAIQDRPBF-RDJZCZTQSA-N 430.530 1.652 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1539093991 ITBJGDOQWWDUSI-OAHLLOKOSA-N 431.566 1.397 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1539296639 SBYJVMTVGIDJNF-RBUKOAKNSA-N 434.610 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539323134 CWWFVSPOJOFEIN-MSOLQXFVSA-N 439.482 1.898 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1539499435 KMJQGWZTHZWISZ-UHFFFAOYSA-N 447.586 1.417 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1539669395 PRXNZSGJLBJZOL-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1540062688 UGHVEEAZYXMDBX-UHFFFAOYSA-N 432.575 1.818 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1540909678 NCELXNCUAWVTBP-DZKIICNBSA-N 429.612 1.811 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1541700918 MMMKTAHONFKHEJ-IBGZPJMESA-N 437.548 1.895 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C[C@H]1N1CCOCC1 1546731389 AECVHORWARTKNR-AZUAARDMSA-N 437.548 1.500 30 10 IDEE CN(Cc1ncc(Cl)n1C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554200499 CKHUJUSSCXTHSY-VHEBQXMUSA-N 444.927 1.780 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C2CC2)CC1 1555555042 HPYUXYJMEFFUTA-UHFFFAOYSA-N 429.569 1.755 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)OC)c(F)c2)cc1 1557526724 ATMVQNURPDXADA-ZDUSSCGKSA-N 434.445 1.930 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)nn1 1570505667 NQFDYWDOPCWCRO-UHFFFAOYSA-N 428.518 1.508 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(C)S(=O)(=O)CC 1587581149 WPIZDLBKHXXGJP-OAHLLOKOSA-N 434.522 1.983 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1588223761 FXJGAKURXOROEI-IEBWSBKVSA-N 436.491 1.175 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1588233281 FYEYZDFZPMJZBN-SFHVURJKSA-N 447.586 1.378 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCOC(C)C)CC1 1588923882 PAGMVEMEHAVGFY-UHFFFAOYSA-N 425.537 1.906 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCOCC2)CC1 1588929477 AQHMLLQOXUPANJ-HXUWFJFHSA-N 444.580 1.208 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1589088693 FSZGSVVLBYLAAG-KRWDZBQOSA-N 427.530 1.885 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1589096885 HYGMRUOVFNHJKA-JOCHJYFZSA-N 425.558 1.982 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589097543 SGOIDTNBAMYYEH-UHFFFAOYSA-N 447.634 1.210 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1589305308 QDHCRCLSWUASHL-DYVFJYSZSA-N 428.331 1.627 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1595516793 IYGICUOYKGSKAU-UHFFFAOYSA-N 442.545 1.522 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1595537370 QFWNKOKFYOTVPN-LJQANCHMSA-N 449.515 1.451 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1595713683 DHUUGTUOFGJZGL-FPOVZHCZSA-N 442.612 1.734 30 10 IDEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1596709331 HAYXVTCCVQVZFK-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CC(C)Cc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603474572 ZZQWVWBDACGXAQ-VCASGEJDSA-N 428.537 1.866 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 1612918091 VDYPCAQEZRHUDO-JFIYKMOQSA-N 444.561 1.712 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1619553244 IBGPYSLNGXYBNC-HSZRJFAPSA-N 440.548 1.955 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1619695096 SZVJFXIWKKSWRS-AEFFLSMTSA-N 437.504 1.668 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C2OCCO2)c1 1620025688 RHZQJHMVUHTENJ-APWZRJJASA-N 443.504 1.825 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 1624846857 JRTVPQOJYUUPJV-UHFFFAOYSA-N 431.445 1.848 30 10 IDEE CN(C)C(=O)C1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCCC1 1627913102 PEWUPVXQVZZBGF-QGZVFWFLSA-N 425.489 1.671 30 10 IDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1630737286 FKNGBIHNUVCSDM-AUUYWEPGSA-N 448.570 1.751 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 1634876165 GNEHWNXEJPPKHL-SFHVURJKSA-N 426.344 1.947 30 10 IDEE C[C@H]1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1639210478 FEXVUHGIXOCBSY-XHDPSFHLSA-N 426.336 1.839 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@]3(CO)CCc4ccccc43)C2=O)cc1 1639705300 VDZSJHLEEJUJDE-YKSBVNFPSA-N 432.480 1.756 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 1640797294 MAXZYJXSJSIHSU-INIZCTEOSA-N 439.534 1.205 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 1642274636 RNGBKPPEKCPOKM-DOMZBBRYSA-N 433.452 1.680 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c1 1642686385 GYOZTSQPXYSZMT-RBUKOAKNSA-N 442.541 1.796 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 1643726028 UHNKHIOXCFILGG-UHFFFAOYSA-N 427.545 1.543 30 10 IDEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(c2ccc(C#N)cn2)CC1 1654341923 GETMCIDKSOBGHE-INIZCTEOSA-N 441.557 1.527 30 10 IDEE Cc1sc2ncn(CC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c(=O)c2c1C 1654811827 OJPIHNJKGGKJTP-UHFFFAOYSA-N 440.481 1.979 30 10 IDEE COc1ccc([C@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)c1 1654974962 LRPRLJVXAHHYMC-RRMPHLOHSA-N 433.530 1.237 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CCC4(CC3)CC(=O)C=CO4)CC2)nc(C(C)C)n1 1656298149 IUBRMQHVJPTLTO-UHFFFAOYSA-N 427.549 1.895 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1 1662565250 WSPPPSKQAMYESU-UHFFFAOYSA-N 439.534 1.253 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C1CCOCC1 1663235635 PDZYNIJAMDACGB-GFCCVEGCSA-N 429.296 1.207 30 10 IDEE C#Cc1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(Cl)c1 1675165695 LAJFEHAVXRPHSA-UHFFFAOYSA-N 447.948 1.990 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1683710858 AUYCDARFPHHFDD-UHFFFAOYSA-N 448.951 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(OC)CCOC1 1689835626 PUVBUYHFXCFRID-KKSFZXQISA-N 447.561 1.459 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(C)cn1 1689835652 QIAYBAIRAULKMF-QGZVFWFLSA-N 441.561 1.858 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690122309 NFGMFAWEWUNKEU-ROUUACIJSA-N 427.578 1.349 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1690175369 VMNZCKXIISCAOX-IAGOWNOFSA-N 441.623 1.604 30 10 IDEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690224284 JBWJEQQCBKFQSN-AWEZNQCLSA-N 445.321 1.309 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690298436 XSWQYNVAPKUMDU-XXBNENTESA-N 448.612 1.932 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1690484852 FUBUQDHEWUFBJF-SFHVURJKSA-N 441.598 1.971 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1690670503 CURGAFQCKPAXBU-MJGOQNOKSA-N 427.505 1.368 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C)C1 1690671003 NIDKEERGBNSZLU-IAGOWNOFSA-N 448.568 1.920 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCSCCCO 1692218450 FNZIDLGFQNCQFH-KRWDZBQOSA-N 444.609 1.969 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)[C@@H](C)C1=O 1692423386 DNGPROHXPJOLSW-INIZCTEOSA-N 433.520 1.687 30 10 IDEE CC1(C)C[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1692856374 BLSUVONHYANUMZ-IRXDYDNUSA-N 436.582 1.787 30 10 IDEE Cc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693475380 OSLARZQJNWMHKJ-DSGGYQJVSA-N 443.552 1.490 30 10 IDEE COCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1698185551 MGSIUEYXLOCQDP-JOCHJYFZSA-N 442.495 1.916 30 10 IDEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cc1 1698299765 HZSIWTIIWSQIDL-GOSISDBHSA-N 442.545 1.811 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1698454836 YEULWOULLWCKLY-DMIMOZFVSA-N 425.493 1.424 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1705475752 UZSMCTYHNXGXJQ-SFHVURJKSA-N 438.580 1.657 30 10 IDEE C#CCCCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539052 IENBLPCCAYQMKG-HTAPYJJXSA-N 443.552 1.918 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccnc(SC)c2)CC1 1705643620 MQZRGRAFYAQYRV-ICSRJNTNSA-N 442.589 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCCN2CCC[C@H]2CO)CC1 1705643844 BUBSDEXWRJVPCM-FQEVSTJZSA-N 444.624 1.778 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ncn(C)n2)CC1 1705646534 HEPFPNRXGTUJFS-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705661538 DQCRAAMCRVKBHX-VQTJNVASSA-N 432.638 1.753 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1705843683 LHVPEZQRONLIBI-LJQANCHMSA-N 444.561 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1705930490 OJYSJLMPXJGWTF-OAHLLOKOSA-N 437.570 1.577 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706463353 PLTVNKQRKNALEO-APWZRJJASA-N 425.555 1.445 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOCC2)CCOC1 1706671353 DMONCZIRXZPCRG-NHCUHLMSSA-N 436.532 1.483 30 10 IDEE Cc1ccc(OCc2nnc(N3CCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1707550376 CYLZIKLROBUOIP-QZQOTICOSA-N 438.488 1.529 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(O)CCOC 1708522818 HGPLUKRUTIYPDA-OPAMFIHVSA-N 444.584 1.819 30 10 IDEE COCC[C@@](C)(O)Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712328088 ZRIUJURNRGGHJM-JOCHJYFZSA-N 425.537 1.611 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1722352401 ONGSPUQYUUIGOP-KSSFIOAISA-N 442.463 1.700 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccccc1 1722427985 AKTYIFCGMYDEOW-RTBURBONSA-N 432.546 1.654 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1722433106 LMLYNAJJSOPRDP-QHCPKHFHSA-N 439.564 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)CC1 1722447854 OACJHWWNUBPTDP-GOSISDBHSA-N 444.580 1.648 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1722699149 RVWOIBDOUOTBLO-QXAKKESOSA-N 443.573 1.865 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722728616 YDBKAAXZPRZQQH-INIZCTEOSA-N 448.549 1.110 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1722864522 AXFNHMDIYRJJMJ-PBNKOMEISA-N 439.549 1.818 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1722876740 WKVGAWIVENNOSP-CKEIUWERSA-N 430.534 1.353 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1723115712 BEZAMDXUBMNKPK-QFIPXVFZSA-N 426.521 1.519 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)N(C)C 1723819884 SKBSVLGNKPZIKB-IERDGZPVSA-N 428.562 1.782 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1723916106 TYDVDXPJCINIMZ-JKSUJKDBSA-N 433.582 1.935 30 10 IDEE CC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1726508290 CBTGZQSIGQOGDL-CQDRYFTESA-N 441.536 1.771 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)CC1 1729693527 RUNGVWZBHJEUSG-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cc(CO)nn2)c1 1730226359 GYDVFSOROMQWIS-FQEVSTJZSA-N 426.456 1.570 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCN(CC)CC1 1740537142 BDBXAWYEBIDAGT-NZQKXSOJSA-N 432.613 1.804 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1740548126 DFARHJUAOUWIPZ-IAGOWNOFSA-N 428.537 1.701 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCC(OC)CC2)CCCC1 1740613126 UTMOPQRNAWZXQY-UHFFFAOYSA-N 428.581 1.894 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1740621792 PFJGMVDAVHXTMR-UFYCRDLUSA-N 441.557 1.948 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1740657094 PGQHRFPJGVNUOP-HXUWFJFHSA-N 435.484 1.112 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnnn1CC1CC1 1740687873 NKMIIUNBNGSIJS-IEBWSBKVSA-N 442.568 1.728 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCn1cc(CO)nn1 1740726320 XLWQAQBDPSGMDK-NHCUHLMSSA-N 429.525 1.096 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)CC1 1740839708 NPVDMHIBDPAVMI-INIZCTEOSA-N 430.534 1.125 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740957669 WZMFOOCNAWGINN-UHFFFAOYSA-N 430.513 1.038 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1740960441 RMOMAULEZIWXKB-INIZCTEOSA-N 426.477 1.945 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(C(=O)OC)CC2)C1 1740978899 FBKHCPOJAYMCOR-IAGOWNOFSA-N 432.525 1.489 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740987895 ZUYCQUFRYNILIA-DOTOQJQBSA-N 449.964 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740990612 XIIJAGLQZKDAKN-INIZCTEOSA-N 428.518 1.927 30 10 IDEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1741004452 AUEPIRFAWSNGII-MRXNPFEDSA-N 444.561 1.999 30 10 IDEE Cc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1742439813 CUWDEBNFYXDVMH-CRAIPNDOSA-N 432.550 1.564 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCNC(=O)C3CC3)CC2)c1C#N 1742668599 CRXZQSXNBYVPAW-UHFFFAOYSA-N 439.568 1.342 30 10 IDEE Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1742750321 KTJVXMJYKUNZOJ-HNENSFHCSA-N 443.895 1.841 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1748563967 ANPKTAXTLKRPKQ-JLTOFOAXSA-N 449.533 1.108 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1748697802 NWZPRTQMBLBWRP-AWEZNQCLSA-N 428.459 1.725 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1748812714 ZGRINPFXJYLPPT-QGZVFWFLSA-N 440.529 1.546 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1748989227 JDSGXAILUFGUMF-NRFANRHFSA-N 436.560 1.725 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCN/C(O)=C1/N=CC=CC1=O 1749055272 GHKNPDPGWCZELF-VDVXRXHMSA-N 442.520 1.521 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)C1 1749698328 TXAONFTZPADSNC-STQMWFEESA-N 441.583 1.132 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749773045 MMYIIYMOVYIKTM-ZWKOTPCHSA-N 426.477 1.509 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccs1 1750154110 GQRYRBJZJMYRIN-UXLLHSPISA-N 446.533 1.222 30 10 IDEE CC[C@H](C)c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752626143 SSMAMLPNQHWOHA-HQEVYLJUSA-N 443.552 1.623 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760148451 AMDCTHQWDYRXSN-HNNXBMFYSA-N 442.907 1.168 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760192672 WOFYDDDIHAPKCJ-KRWDZBQOSA-N 433.578 1.608 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(CC(C)C)CCO1 1760209198 YPTUJXNBQWSTBB-HXUWFJFHSA-N 426.565 1.334 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1OC 1760232504 HGOLHZWCIMQUAT-UHFFFAOYSA-N 425.493 1.818 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2ccccc2)CC1 1760251837 IZSLGHAKSXVSPL-XMMPIXPASA-N 438.576 1.859 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCCC2)CC1 1760255917 CFCZUSGAWLJCEZ-XMMPIXPASA-N 444.624 1.948 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOCC)CC1 1760335834 RGDWAWAGQFJSSR-AZUAARDMSA-N 429.569 1.818 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760349195 CXDKONMBOKXFGB-QFIPXVFZSA-N 432.569 1.251 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760516323 LGWFMLJDPCNZOV-FXAWDEMLSA-N 439.564 1.442 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1760517890 BKAFJETWWCOZOG-GOSISDBHSA-N 437.508 1.084 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)C1 1765671802 GPBZPMSBFYSYJC-QGZVFWFLSA-N 430.534 1.250 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC(CC#N)CC1 1767860776 DEJUJZYCCUHERM-UHFFFAOYSA-N 448.549 1.545 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1768301803 AQCIUBIJWDSCLF-MRXNPFEDSA-N 443.533 1.018 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1771305155 UQHBCWPRMVHVNM-OBKDMQGPSA-N 448.568 1.230 30 10 IDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCCN2CCCS2(=O)=O)CC1 1850865459 AOQYXQVINLFQFS-UHFFFAOYSA-N 445.520 1.614 30 10 IDEE C=CCC1C(=O)NC(=NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)NC1=O 1851244049 PUUAFVUUJCFGNS-LJQANCHMSA-N 430.464 1.575 30 10 IDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@@H]1C 1854311687 KLFXYAQNSOREOD-JKSUJKDBSA-N 425.576 1.784 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccncc2F)CC1 1855861265 AQGJOCVYIRNXGK-UHFFFAOYSA-N 428.445 1.874 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162281 NDEFNYJPMODMKH-HKUYNNGSSA-N 443.544 1.800 30 10 IDEE COc1ccc(OC)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCCNC=O)C2=O)c1 1863381062 XYJMYBKGEPZGEG-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C 1870155582 UUHGYFKLLNYHFH-UHFFFAOYSA-N 445.395 1.899 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)s1 2247811533 JNVJHCRQDAZEQP-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255656335 ZITSUUKERMMSCI-CYBMUJFWSA-N 439.293 1.135 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255670223 DZYLOHNFCXVGGH-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255677270 FNJGZYNBTYNRGX-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255819903 IQQFKVUGOYNVTG-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CCN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267116112 RKBZZJZUYBRBTR-SFHVURJKSA-N 439.369 1.851 30 10 IDEE Cn1nc(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267134437 POBFURSKCQHGSV-XYPHTWIQSA-N 446.357 1.847 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267153197 BFKCFEUQZNANGJ-FOLVSLTJSA-N 446.357 1.797 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 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COC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1315797850 GCHDKWPCMMICJQ-MOPGFXCFSA-N 441.536 1.427 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(F)F)C1 1316568670 XTYLASBKDCFFTM-VTNSMKTPSA-N 436.463 1.790 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cc1 1350773084 CRAGBGYHCZAVRL-UDXHRHDRSA-N 440.525 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1359043925 NYOADFDEGBRKGW-UHFFFAOYSA-N 434.544 1.919 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359340936 GBTTUDRMGGXGJG-UHFFFAOYSA-N 429.529 1.854 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1359345506 IKRASQVIWQTRQK-UHFFFAOYSA-N 442.593 1.745 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCCS3(=O)=O)C2)C1 1446729591 AJQPHXMUHJXSGO-FZTQNYJHSA-N 425.551 1.857 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OCC 1454708121 CMCAYVJJIYPTNI-KGLIPLIRSA-N 430.288 1.504 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(C2CCCC2)c1C 1460885459 WOKXSEFPAUFKIC-HRAATJIYSA-N 429.546 1.900 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 1462899655 YRDNNLDZQKLMPB-ZDUSSCGKSA-N 441.449 1.856 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1 1464226750 IJVYVKZUNCZGCK-UHFFFAOYSA-N 439.563 1.507 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C(C)(C)c3ccc(C#N)cc3)ncnc1-2 1464939743 XYDMETKUFWZHRD-UHFFFAOYSA-N 442.321 1.877 30 10 IDEE C=C(C)CN1CCC(NC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)CC1 1468640964 WDAILIPSJUETDB-UHFFFAOYSA-N 428.530 1.534 30 10 IDEE C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1470003196 DCFAVKCBFGXGQB-XMDUPGNXSA-N 426.539 1.354 30 10 IDEE COc1cc(CNC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)ccc1C#N 1470083973 VDTAPGMPOIHONF-UHFFFAOYSA-N 431.518 1.492 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1=O 1478705137 AIJLITQYRYVLPZ-HRWHDRTOSA-N 448.520 1.457 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)n1 1479048955 TXPKEWNASCMOLD-HSZRJFAPSA-N 438.576 1.491 30 10 IDEE Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1492781008 JEOJFYNNUPZYIQ-VHEBQXMUSA-N 444.517 1.153 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(C)(C)O 1496899226 XWBXAPJYXADJHX-UHFFFAOYSA-N 441.536 1.892 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1501406497 BOQQZRLOQSSVTF-LJQANCHMSA-N 437.548 1.454 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1502282942 HVFGRELKNASHPP-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1ccco1 1503381286 APVURGAMFDJPRK-SFHVURJKSA-N 435.488 1.561 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507566270 ILMKALNDHNXGTI-GOSISDBHSA-N 426.546 1.943 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507633094 AUUVOZWJKOMAQI-ZWCUEREDSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1507653803 VELNTVGLLJVGNP-UHFFFAOYSA-N 445.527 1.662 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507731998 HJCIWQHAVWBPTJ-HTAPYJJXSA-N 429.496 1.291 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1507753064 IFKSGZMVBIPKRK-OALUTQOASA-N 430.578 1.890 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507804184 JBEKWNOFAUVQTJ-XFKSJGNHSA-N 433.553 1.794 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507805585 MZXMRKXLANIGBE-OALUTQOASA-N 444.580 1.654 30 10 IDEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2CCS(=O)(=O)NC)CC1 1507909343 BQKLHRXILJRLQF-UHFFFAOYSA-N 435.550 1.817 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)[C@@H]1CC 1508074237 RDENWHJXXBDBOV-HNNXBMFYSA-N 447.337 1.725 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1508080440 OOPMAYNHWKFZQR-UHFFFAOYSA-N 449.559 1.802 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C)C1 1508145761 PCUIJCVUIUPRKP-CQSZACIVSA-N 426.489 1.973 30 10 IDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)CCCNC(=O)OC(C)(C)C 1513939389 YAPUUTQRJIFAHV-QGZVFWFLSA-N 435.573 1.806 30 10 IDEE Cn1nc(I)cc1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1523944724 ILZXRPZEQZGRGR-UHFFFAOYSA-N 433.213 1.788 30 10 IDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 1531717907 GMHNDZJARHFKDS-XMMPIXPASA-N 431.496 1.983 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1539006431 YKKCXZJTFSDBJN-UONOGXRCSA-N 426.502 1.487 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1539035820 UVQIRHDSRYUKKI-MISYRCLQSA-N 430.597 1.819 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cccs1 1539250613 PQGVSENJPRFDHX-JOCHJYFZSA-N 444.524 1.963 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC(=O)N1 1539384737 NLAPHKVNJDYYOF-AUSIDOKSSA-N 441.507 1.988 30 10 IDEE 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C=CCn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1595452797 BXIUYWBINWAGNG-QFIPXVFZSA-N 427.505 1.784 30 10 IDEE C=C(C)C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC 1612827518 OTRMIVMYFQZGBQ-INIZCTEOSA-N 427.479 1.926 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1613898971 BAMUCLSZOHZWLD-UONOGXRCSA-N 435.554 1.129 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C[C@@H]1C 1618903492 BIIQEXBYYKKOFL-HNNXBMFYSA-N 428.493 1.777 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)O 1620018065 ZEUPCYQJZWBKRH-MRXNPFEDSA-N 429.525 1.366 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1622067366 MGNRFXXJNWHWOC-UHFFFAOYSA-N 428.283 1.610 30 10 IDEE C#CCN(C(=O)/C=C/c1cc(Br)c(O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1626434193 FYOJQEZMKKMQDM-MUBLQREKSA-N 428.304 1.825 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)CCOC1 1629774621 QQPANCIXLZTZCV-HSZRJFAPSA-N 439.468 1.820 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1632770161 WSWDMGGBYPWTLH-PNCHPQGNSA-N 442.516 1.930 30 10 IDEE NS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 1633234911 GLCLGBJEFKRMRV-UHFFFAOYSA-N 437.337 1.937 30 10 IDEE CCOC1CC(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)(N2CCOCC2)C1 1634438909 DOPDKDKBLGGKES-WUZYXKQASA-N 438.569 1.960 30 10 IDEE C=CC[C@H]1CCN1C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1636893630 JQQCFLLUELXAFD-ZFWWWQNUSA-N 433.452 1.795 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 1638392491 DFEOFUZSCYDORH-MSOLQXFVSA-N 435.569 1.147 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CC1 1641926920 JNLBCNCAVYBELY-UHFFFAOYSA-N 428.533 1.997 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cncs3)CC2)s1 1642014713 DCWAINWJRFTWOK-UHFFFAOYSA-N 426.589 1.556 30 10 IDEE C=CCn1ncc2ccc(NC(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc21 1645806788 GTEZNZGCWVRJKA-UHFFFAOYSA-N 441.513 1.841 30 10 IDEE 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433.490 1.152 30 10 IDEE C=CCN1C(=O)N[C@@H](c2cc(OC)cc(OC)c2)C2=C1CN(CCN1CCOCC1)C2=O 35834841 IAXRDSZDXHDOQT-NRFANRHFSA-N 442.516 1.385 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(O)cc2)[C@H](C#N)C(=O)N3)CC1 101442519 PHYVMSDAZAYJRV-HOTGVXAUSA-N 437.456 1.479 30 10 IDEE COc1ccc(C)cc1N1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@@H]21 254410642 XBLGMKQQHJMQNP-ZFWWWQNUSA-N 426.516 1.860 30 10 IDEE COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254500885 MVVZHBNGUZMTNL-WMLDXEAASA-N 426.560 1.999 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1 438516212 WDQWBWOHHFVGAE-UHFFFAOYSA-N 440.504 1.978 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478747987 QKJWSKMECSLSRQ-HZPDHXFCSA-N 428.510 1.489 30 10 IDEE CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488885117 LKFJGYVJCOWSLC-NRFANRHFSA-N 442.516 1.981 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 505346461 ULRNVMAHNLFDKG-AWEZNQCLSA-N 434.468 1.852 30 10 IDEE Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(c2cccc(C#N)n2)CC1 507980553 KGULYUAGMYENAP-UHFFFAOYSA-N 427.472 1.322 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(F)ccc3Br)n2C)CC1 508144824 WQQOBHYZAZJSTA-UHFFFAOYSA-N 437.317 1.808 30 10 IDEE COc1ccnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)n1 520737543 WGMGCQPMRKNLKA-UHFFFAOYSA-N 427.408 1.887 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)n1 544835252 FSRIQPWRJAJYAN-KRWDZBQOSA-N 445.570 1.907 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(c2cccnn2)CC1 555259174 UCANPDXYRUTHOK-UHFFFAOYSA-N 443.515 1.885 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 559002949 SXDAWRUCZRNSGF-ROUUACIJSA-N 439.582 1.773 30 10 IDEE C[S@](=O)Cc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 566947306 NIJQDFLHOKSNOF-LJAQVGFWSA-N 446.554 1.975 30 10 IDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N(C)CCOCc1ccc(C#N)cc1 577557040 SHEMWNPAQCRZBX-UHFFFAOYSA-N 439.516 1.807 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1cccs1 584200552 DIQDEDDSVXCQIB-INIZCTEOSA-N 425.580 1.928 30 10 IDEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 603797308 DGXAQOPJWKRSDQ-INIZCTEOSA-N 441.534 1.563 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1 605410879 RPIXACFFTHKXFF-UHFFFAOYSA-N 429.521 1.664 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2nccc3ccccc23)c(=O)n1C[C@H]1CCCO1 610128523 VXRMDJUUYQGHHO-QGZVFWFLSA-N 448.548 1.665 30 10 IDEE N#Cc1ccc(OCCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 610235700 XZZMAIIPOZZXGL-UHFFFAOYSA-N 435.527 1.378 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 677302062 FMGFVYDWEUJJAJ-UHFFFAOYSA-N 431.464 1.148 30 10 IDEE NCC#CC(=O)Nc1cc(I)cc(I)c1 717433561 XNAUMICDQPPZKY-UHFFFAOYSA-N 425.995 1.796 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727414765 AYYVEYWOEULMKW-UHFFFAOYSA-N 427.432 1.896 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727415116 IYTPYONQCCMWKE-UHFFFAOYSA-N 443.431 1.132 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCS(C)(=O)=O)c1=O 729673136 ULLKHFQZTUUICY-UHFFFAOYSA-N 448.541 1.274 30 10 IDEE C#CCOc1ccc(NC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 731112598 RAKXADFAZGCUGD-UHFFFAOYSA-N 428.514 1.961 30 10 IDEE Cc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1I 732909535 CALYOJXREFVLJG-GFCCVEGCSA-N 446.266 1.179 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2scnc2C)c1=O 743725136 FPLKBYAXBAZPGW-UHFFFAOYSA-N 441.534 1.716 30 10 IDEE C[C@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)NS(=O)(=O)c1cccnc1Cl 760318620 OGEBSESZCDHMNE-CQSZACIVSA-N 448.936 1.407 30 10 IDEE CC(Cn1ccccc1=O)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 761745161 VCSXFYARCGLEJT-UHFFFAOYSA-N 435.462 1.265 30 10 IDEE CN1CCO[C@H]([C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccc(Cl)cc2)C1 766035835 DMZSFJHYZKCKIT-XCNMMRQESA-N 432.908 1.744 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCc2nnnn2C)C1=O 771544405 QVOKRZSBIDAXSU-LBPRGKRZSA-N 439.448 1.122 30 10 IDEE C#CCN(C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774194678 ZCWJZDBTBCXELC-RBUKOAKNSA-N 439.965 1.545 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 774258023 RPVIKFPCRILZIW-SFHVURJKSA-N 447.605 1.863 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC2)cc1 781374399 APHFFHMPKNRVKS-UHFFFAOYSA-N 440.552 1.268 30 10 IDEE O=C(C[C@H]1S/C(=N\CCc2ccccn2)N(CCCn2ccnn2)C1=O)NC1CC1 784125376 OVOFCKCANPVEPI-SLNYWTKHSA-N 427.534 1.275 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CCOCC2=O)n(-c2ccc(F)cc2)c1C 790739185 HFGIORLIUCQHBV-UHFFFAOYSA-N 428.420 1.445 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)c3ccnc(C#N)c3)CC2)cc1 795970794 SMUDYATZHYCSES-MRXNPFEDSA-N 442.497 1.340 30 10 IDEE CNC(=O)c1cc(S(=O)(=O)Oc2cc(C#N)ccc2I)cn1C 798463948 VRTBQPOIMHHAAR-UHFFFAOYSA-N 445.238 1.629 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 800040224 YKLARBWPFMVUAG-YESZJQIVSA-N 428.555 1.567 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCO3)n2C[C@H]2CCCO2)n1 812309831 GXLIOIMOEDXIJG-RTBURBONSA-N 430.509 1.028 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 916178920 URTVSMYSISLPTD-UHFFFAOYSA-N 447.538 1.993 30 10 IDEE Cn1cnc2c1c(=O)n(CCCOC(=O)CSCc1ccc(C#N)cc1)c(=O)n2C 919207929 OYSHHTZRTVREOT-UHFFFAOYSA-N 427.486 1.172 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)Oc3cc(F)ccc32)c1 1144510541 KKKCPXCVRGYHDY-SFHVURJKSA-N 434.445 1.871 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1146221084 MYPVTROJTTXERU-FQEVSTJZSA-N 447.488 1.524 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(Br)cc(Br)c2)c(=O)nc1O 1167523372 AKUBHVZVFDHBPB-UHFFFAOYSA-N 442.067 1.776 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(OC(F)F)cc(OC(F)F)c3)C2)c(=O)nc1O 1180999977 IRDHJTUSLLGWKS-UHFFFAOYSA-N 428.298 1.720 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 1230514093 HFTUTKQSLYTHAF-PMACEKPBSA-N 432.546 1.922 30 10 IDEE CN(C)CCn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1=O 1267147023 CAGPYYYJNMZRQF-OAHLLOKOSA-N 427.892 1.927 30 10 IDEE N#Cc1ccc(CNC(=O)c2ccc(I)cc2-n2cnnn2)nc1 1274853617 JQDRZVHAWDLKTE-UHFFFAOYSA-N 431.197 1.464 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286361911 UZJDOBJYLPYFBT-HRAATJIYSA-N 448.545 1.436 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1286420835 TWQHZAQYYUDJHR-MRXNPFEDSA-N 433.509 1.569 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286432427 JTCXXOKSHSWQDJ-WOJBJXKFSA-N 440.592 1.751 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286543590 NHOPJLSIZKXTIR-QGZVFWFLSA-N 439.314 1.340 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC 1286569635 WFWWYBVPNXOYBK-UHFFFAOYSA-N 430.538 1.758 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1286689004 VZXYKZTYDLIELP-SFHVURJKSA-N 440.614 1.498 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286824426 CTIAPBGSDUXYSO-FCEWJHQRSA-N 428.555 1.145 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)N(C)C 1288606548 FUSJYWTVHILVMB-KRWDZBQOSA-N 436.564 1.167 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1300820058 BSDVNIRWBHPCOJ-YLEKHRKWSA-N 444.536 1.560 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300843383 AQLNUVDNKQDIKD-CQSZACIVSA-N 439.358 1.879 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1300895938 XJCCEGJMSHPPGX-XLAORIBOSA-N 440.548 1.626 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1301497875 GHKWMHZWAMVMJT-IAGOWNOFSA-N 428.468 1.248 30 10 IDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301560807 UHJSZFRPKRNVON-UHFFFAOYSA-N 437.504 1.764 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301579160 OTUZGEGVNNSYBY-SFHVURJKSA-N 448.593 1.043 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc3ccccc3o2)n1CC(=O)N1CCOCC1 1301802725 DQSKZSOOIOBXOG-UHFFFAOYSA-N 438.488 1.917 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)OC)c1 1303080383 UNLRAVZPLUVCFU-NRFANRHFSA-N 432.473 1.641 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1303448783 ZBHNGYYIEKQGMP-CYBMUJFWSA-N 433.310 1.961 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)NCc2cncc(C#N)c2)(C(=O)OC(C)(C)C)C1 1303862055 STOZNCCMHXHZNX-JOCHJYFZSA-N 446.504 1.917 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1304365053 ZBEFYXDPSYIOHC-HNNXBMFYSA-N 442.253 1.800 30 10 IDEE CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1305293725 KYVUJQWVSSDQRK-NHCUHLMSSA-N 429.546 1.993 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1358878011 OKNQJUSJDOKTAO-QRQCRPRQSA-N 441.557 1.817 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1358984300 PMTUARLBWHWNPL-UHFFFAOYSA-N 446.555 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCC(=O)N(C)C)CC1 1359042740 RSJAGPKFFRZUEB-UHFFFAOYSA-N 426.521 1.681 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1359304728 HSQJYJYTZXSTQN-NRFANRHFSA-N 431.468 1.294 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC[C@H]2C)C1 1359313475 MRMJEXARKLQOQT-KNKQGSTJSA-N 435.569 1.432 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)C1 1359321709 KNOYUEAWQXNNCL-HOTGVXAUSA-N 425.555 1.192 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCOC1 1359333451 YNMCQULIWUNOCB-APWZRJJASA-N 448.545 1.864 30 10 IDEE CC(C)NC(=O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1360298474 YQJYCCDCJKBWSB-XHSDSOJGSA-N 447.540 1.302 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1)c1cc[nH]n1 1449220696 NRWAPFZNSJXEFP-OAHLLOKOSA-N 435.481 1.307 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 1451054830 GWASYZVXDRTJAF-UHFFFAOYSA-N 449.479 1.643 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)ccc1OC 1456304916 PDVOWABKKQEAIC-AWEZNQCLSA-N 432.502 1.511 30 10 IDEE N#CC1(CNC(=O)c2ccc(I)cc2-n2cnnn2)CCOCC1 1457112237 UIFHZWQDUXALFP-UHFFFAOYSA-N 438.229 1.317 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 1460026856 LEWVOLPSIQGHKO-HSZRJFAPSA-N 448.479 1.912 30 10 IDEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C1CCOCC1 1464122961 KPRJXNDEHOLPPM-FQEVSTJZSA-N 440.587 1.958 30 10 IDEE C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cc(F)ccc1N1CCC(O)CC1 1465585720 BRBBRIBXAVFBDL-ZDUSSCGKSA-N 429.452 1.188 30 10 IDEE CN(C)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1469886785 QRQSMUCGPIEAPU-LZLYRXPVSA-N 444.479 1.888 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)CC2=O)cn1 1471647803 IMIVBVUHQSPLAS-INIZCTEOSA-N 446.357 1.967 30 10 IDEE COc1ccc(CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Br)c1 1472370722 LVNHZVQYSDJMTL-UHFFFAOYSA-N 433.262 1.608 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1494479133 PRJOEAGRGSRCON-HOTGVXAUSA-N 432.550 1.760 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1496764123 UWLOSFCBNVQSET-UGKMNXKKSA-N 443.552 1.815 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCCCC1 1503068416 PGOJLSWWKIZOPT-UHFFFAOYSA-N 439.520 1.752 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1504758178 SMDFCQUZIZNNPU-FIKGOQFSSA-N 427.461 1.718 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1507604397 AUOXXSTZXJHYAV-UHFFFAOYSA-N 435.463 1.872 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1507630787 HPGVNVRQQKIRMX-SFHVURJKSA-N 434.566 1.368 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1507660774 ZGESKMMDYRBVJI-ZBFHGGJFSA-N 432.550 1.760 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1507677781 JXOZWXSWSSONPE-IBGZPJMESA-N 438.580 1.659 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1507739718 UUBPANJBWIJYFJ-ZCNNSNEGSA-N 429.565 1.809 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1507813049 RUQSMOWJWFWWKT-NVXWUHKLSA-N 426.587 1.549 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCSC(F)(F)F)C1 1508117605 UXOYEIVCJMELMI-RYUDHWBXSA-N 443.517 1.923 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CC1 1509576782 IBSOYGZVGOBCMB-UHFFFAOYSA-N 447.499 1.631 30 10 IDEE CCc1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513869517 LWXNEKOSIKZJCU-PANRORFQSA-N 440.479 1.604 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1517242685 KQEHOQLXDSCEJZ-BVFCJKAASA-N 430.509 1.519 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1521148800 HKKGVGQNTMNNPF-QGZVFWFLSA-N 449.537 1.367 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539444441 OHMTUQRYABTEOL-SFHVURJKSA-N 443.573 1.676 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539611977 FVHJSLGGFRDKLY-ULQDDVLXSA-N 437.566 1.119 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539626827 GPLHTDXFBZDFQH-HWMZRRJGSA-N 425.555 1.080 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1539743953 AOJKJDIWTZZKQW-MJGOQNOKSA-N 433.553 1.844 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540026584 HSGMMWMOYJWUMG-LJQANCHMSA-N 426.521 1.760 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)NC)C1 1540871017 BQESEXJBWNFOQX-MAUKXSAKSA-N 440.504 1.055 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCc1ccccc1 1541945739 KUBFSBJLKCQFNK-WMZOPIPTSA-N 432.550 1.640 30 10 IDEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978606 TYJJUZFMELGEFO-JLUOLNIDSA-N 428.489 1.970 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N1CCOCC1 1548137956 MJWSMIVCQJEQTE-HNNXBMFYSA-N 427.509 1.070 30 10 IDEE COCCOC1(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555683341 XYUAKIIIXJSTJL-LJQANCHMSA-N 433.553 1.952 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1555685374 RBYMIEUEIYADCT-IERDGZPVSA-N 428.468 1.745 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 1562756221 VGFHINHOMKWUFE-UHFFFAOYSA-N 429.340 1.683 30 10 IDEE C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1587404956 KXNDOYLFPIHGNS-LBPRGKRZSA-N 439.490 1.604 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCNS(C)(=O)=O 1588109283 AUUORQKBIXCOLK-UHFFFAOYSA-N 435.937 1.619 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC)CC1 1588967866 CBACAHYWBLKLDT-UHFFFAOYSA-N 442.495 1.098 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC1CC1 1589404522 KDUXFZLFAQXYRU-CQSZACIVSA-N 433.372 1.952 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC)C1 1593763346 HLDMNFUTLKXWLQ-MRXNPFEDSA-N 446.577 1.825 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(N)=O)c2)CC1 1594097009 KZMRRTFRFPWJLY-KRWDZBQOSA-N 445.545 1.249 30 10 IDEE C[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612798849 YHNYBXGYTFKJIG-MVZUJROASA-N 427.509 1.163 30 10 IDEE CCN(CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1615368126 HVXJGVILOBORJO-ZFMNYDKASA-N 445.612 1.909 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1619982825 ICOVWMPRCKNTEQ-HZPDHXFCSA-N 425.555 1.567 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1620441471 OUHTXIIIUPFSIU-HDICACEKSA-N 434.518 1.611 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1628565429 VSHNSAWDUGJMJM-UHFFFAOYSA-N 426.561 1.795 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1Cc2cccnc2NC1=O 1633562393 PBTHUAVTUDSAQT-INIZCTEOSA-N 441.513 1.360 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1=O 1635691269 TUGXBLOAOAUJJR-ZDUSSCGKSA-N 444.271 1.168 30 10 IDEE CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)Cn3cc(C#N)c(O)nc3=O)cccc21 1637093001 BTZITNGMNXPXCF-UHFFFAOYSA-N 439.472 1.825 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)C2=O)cc1 1639194491 RFIKHQKBSZWIJI-YADARESESA-N 445.479 1.419 30 10 IDEE C#CCN1CCC(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CC1 1641461747 CKLUDWYUISBKLP-UHFFFAOYSA-N 437.588 1.414 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]1C2 1643786170 YFOQETIKUJLLFS-LYDQXWKUSA-N 433.530 1.598 30 10 IDEE N#C[C@]12CN(C(=O)c3c[nH]c4c(OC(F)(F)F)cccc4c3=O)C[C@H]1CS(=O)(=O)C2 1645991323 OTCCBOUOKANEOT-DYZYQPBXSA-N 441.387 1.437 30 10 IDEE COc1ccccc1[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccn1 1671292537 CIEYJMLBHUSUNY-LJQANCHMSA-N 432.440 1.580 30 10 IDEE Cn1cc(Br)c(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1681433540 HIKJYINFIWVBKF-GXFFZTMASA-N 427.303 1.741 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1681943768 SOAPSQNUCWUCTN-VVLHAWIVSA-N 443.566 1.396 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1685264390 INNGGOXIUHQCOR-OAHLLOKOSA-N 426.489 1.078 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1689955701 PZGYZPQHHHHBTE-MRXNPFEDSA-N 425.489 1.281 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1689998365 KHXAXNRGOPZVQO-KZNAEPCWSA-N 438.594 1.860 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@H](C)C1 1690092640 PHJZDCQGMCRAGO-SFHVURJKSA-N 425.537 1.743 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](COC)OC)CC1 1690131935 AYWKZNPUAIWKSK-OAQYLSRUSA-N 427.549 1.891 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2nncn2C)CC1 1690137739 HTYIKJJYVRPFHI-HXUWFJFHSA-N 446.559 1.963 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677140 OTNLCEVDKAQOGS-GCJKJVERSA-N 435.569 1.874 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690715707 RYDINUTYXXQWSG-ZDUSSCGKSA-N 437.488 1.507 30 10 IDEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C1)S(C)(=O)=O 1696752251 AAFMPLGVOUMEME-QGZVFWFLSA-N 446.577 1.695 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1698487697 XAWNLPSQAWKKBP-KGLIPLIRSA-N 432.387 1.312 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705514141 LQTTVPWRBIXBTE-UHFFFAOYSA-N 438.580 1.617 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)C1CCC1 1705584272 DLPDTERJRZIOTO-UHFFFAOYSA-N 429.528 1.896 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cn3ccc(C)cc3n2)CC1 1705632132 IQRZNAXZGDPTLB-UHFFFAOYSA-N 448.575 1.956 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2csc(C)n2)CC1 1705649231 PZEPNVMWGJYNNH-UHFFFAOYSA-N 438.561 1.652 30 10 IDEE C=C1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1705766673 JPIUBPRWEHETPG-UHFFFAOYSA-N 434.591 1.875 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@H](C)CC)CC1 1705781054 OHFGXKRTWJCSOY-CABCVRRESA-N 426.587 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1705935907 GKXKYLSFAZYDHK-INIZCTEOSA-N 434.518 1.748 30 10 IDEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705942600 XUSLYSOCXONHBM-SFHVURJKSA-N 447.561 1.833 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1706648517 OTEIEVYPNMWRPQ-IRXDYDNUSA-N 440.460 1.367 30 10 IDEE C[C@@H]1C[C@@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1707999161 GNRKSBAXLDZZJQ-JLSDUUJJSA-N 430.534 1.700 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1710456758 FZBKLLAEMPLEKK-KFKAGJAMSA-N 441.529 1.339 30 10 IDEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1711012746 GFPWDHYSROBAPH-QFIPXVFZSA-N 448.575 1.819 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1722307208 ZSNCUGRNHHBSPQ-SOUVJXGZSA-N 440.570 1.056 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H](C)N2CCOCC2)c1 1722307709 VHYHCVQDHFBDPS-SFHVURJKSA-N 440.548 1.592 30 10 IDEE C#CCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1722339589 WNAQWQIWQJXVRP-VXKWHMMOSA-N 444.536 1.158 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722361967 LEGCYXKBUFRXMK-GOSISDBHSA-N 427.530 1.604 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1722384398 VTJPMYJEWUBFHP-GOSISDBHSA-N 431.562 1.046 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722451993 ABUDLRCLPBKHRI-SJORKVTESA-N 442.545 1.676 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722609537 XMZTVCLXYCSRPS-KRWDZBQOSA-N 448.597 1.588 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccs1 1722689932 BWNDTFIMXKOQBH-CHWSQXEVSA-N 426.568 1.449 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CC(F)(F)CO1 1723925728 MORIRXKUMRYSBC-TZMCWYRMSA-N 432.497 1.443 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1726672605 BOOGWQFRXSLJNM-MEUCICPISA-N 439.520 1.814 30 10 IDEE CCN(CC)C(=O)CCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1728354172 SLYJKJXFRSJUPW-PGRDOPGGSA-N 448.568 1.696 30 10 IDEE CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728573947 AAAQJGXIJYTLDD-QGZVFWFLSA-N 438.536 1.436 30 10 IDEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740575478 SSSVDABPUGTGEY-UHFFFAOYSA-N 434.566 1.920 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1740627466 QREAEZALONJJOG-JYJNAYRXSA-N 444.504 1.571 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1740656255 JGYMYKNKVAWOQW-HXUWFJFHSA-N 445.589 1.964 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1740661716 IKGMFOFVEKIWRY-KRWDZBQOSA-N 445.593 1.781 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740951150 QIMJHQDZLKRQAF-QGZVFWFLSA-N 442.568 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](N3CCOCC3)[C@H](C)C2)nnc1C(C)(C)C 1740994345 PVNCUOSXAASPRL-IAGOWNOFSA-N 425.599 1.333 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1741728571 VEYYDQYDOVTJEO-BRKWEVRTSA-N 433.553 1.989 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CC1 1748649946 VHRCXPCAOHUADD-HOLBHBGLSA-N 449.602 1.564 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CC1 1748649948 VHRCXPCAOHUADD-PEGYKEAPSA-N 449.602 1.564 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)NCCC)c1 1748691924 OSEHARWDQDXQGN-UHFFFAOYSA-N 431.500 1.923 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1749158342 HLJPMRNNKVXXTJ-GOSISDBHSA-N 434.566 1.651 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1749659418 BQHMSTLDAUYSMF-MRXNPFEDSA-N 442.520 1.369 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749676003 ANDBDVFEOGTESP-VLIAUNLRSA-N 432.550 1.320 30 10 IDEE CC(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1751053545 CQRHEGWLIQGEGE-JKSUJKDBSA-N 439.524 1.031 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760182368 JCLPKVYVBDKOSS-SJLPKXTDSA-N 431.562 1.648 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1760188813 QIRSBJMFIRQKHG-MSOLQXFVSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760201795 JNAHIMNQULASBK-SFTDATJTSA-N 432.528 1.376 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1760216770 AMPIVTRLFVLBAW-SFHVURJKSA-N 429.475 1.554 30 10 IDEE C#CCSCCn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760286617 PMZREZYGHAXADS-GHTZIAJQSA-N 435.594 1.601 30 10 IDEE C=CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760423318 VYRVXMLNYBFFKN-UHFFFAOYSA-N 425.497 1.538 30 10 IDEE C[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1762890466 SXBGHWISYFOUGU-RJCBAWPRSA-N 441.536 1.667 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1768140461 VYUVQHZWVAXKJT-QFIPXVFZSA-N 437.504 1.668 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1770110410 RUDLYEJMPPTZQT-DENIHFKCSA-N 427.505 1.864 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1F 1770646003 XMBSILDPEMKXCL-APWZRJJASA-N 442.495 1.772 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1771359020 UDZRTSFODAPXJU-HNNXBMFYSA-N 444.517 1.216 30 10 IDEE N=C1NC(=O)[C@@H](CC(=O)Nc2cccc(C(=O)ON3C(=O)c4ccccc4C3=O)c2)S1 1772791446 UNSAROPRQBEWFP-CQSZACIVSA-N 438.421 1.550 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN1CCOC1=O 1857016650 LCKQHGKMDHMNNC-OAHLLOKOSA-N 433.486 1.284 30 10 IDEE CCOc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857041996 QDJDUFCOCHSDSX-GOSISDBHSA-N 433.530 1.568 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C[C@@H](C)O)cc(OC)c1O 1862565358 VSZVKHHNJOHDBU-ADLMAVQZSA-N 428.441 1.951 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 1867844359 ANWPDBRIHDSUFR-HZPDHXFCSA-N 441.400 1.592 30 10 IDEE C=CCOc1cn(CCOCCO)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1870812483 VPHMWWQYFSPVGZ-UHFFFAOYSA-N 427.457 1.260 30 10 IDEE C=CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562129 OLYGUXBGSSTIMV-QZTJIDSGSA-N 426.565 1.850 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C(=O)OC)cc3)CC2)CC1 1890979041 RPQDQAQYTLLFFT-UHFFFAOYSA-N 427.545 1.735 30 10 IDEE C[C@@H](C#CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O)NC(=O)OC(C)(C)C 1901977034 UEVOEIWHCIXOCY-UONOGXRCSA-N 425.482 1.436 30 10 IDEE Cc1cc(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc1C#CCCO 2202309687 QMVVLZGDUVEKTC-UHFFFAOYSA-N 446.550 1.848 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(Cc2ccccc2)C2COC2)n1 2247950295 DLVQKAFZNKCATC-UHFFFAOYSA-N 433.339 1.309 30 10 IDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255607023 VSSAFWRSHOGIHC-ZDUSSCGKSA-N 437.350 1.442 30 10 IDEE CC(C)(C)OC(=O)NCC1(F)CC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620163 WXCREYLYNZVXHA-UHFFFAOYSA-N 438.309 1.834 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255701234 OEWGZEZSAPDYDH-JKSUJKDBSA-N 433.314 1.403 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2255838962 NZXMSSKAJXSGPS-LSDHHAIUSA-N 432.330 1.553 30 10 IDEE CON(CCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2255844406 WIJMDNIYYLUNQT-UHFFFAOYSA-N 436.318 1.694 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2256886617 LOCVJWAQPOODNU-QGZVFWFLSA-N 428.294 1.724 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2267274723 DPDSMFIGNZGNSA-HOTGVXAUSA-N 449.357 1.736 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267518562 CRYCLTJXUXLKSF-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2267597573 RESVORCDFIDBND-ZDUSSCGKSA-N 447.345 1.386 30 10 IDEE CCOc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 2293143526 KKHIBYJRFPWCEZ-QFIPXVFZSA-N 444.509 1.630 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)c(C)n1 2296614912 JOCNCCPTYKZILA-SFHVURJKSA-N 428.514 1.909 30 10 IDEE C=CCN(CCC(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2298015823 KWXSXWZRZQZZQX-YQQAZPJKSA-N 443.541 1.257 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322310329 DLHKZGKBXRRFOV-UHFFFAOYSA-N 437.321 1.938 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)NCc3cccs3)cc2C1=O 16662735 DTRHPKCERKKWAJ-UHFFFAOYSA-N 427.438 1.713 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 108935970 IZOVWPYJZGTDNC-GFCCVEGCSA-N 443.367 1.075 30 10 IDEE COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 254500881 MVVZHBNGUZMTNL-PBHICJAKSA-N 426.560 1.999 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(C)c2I)CC1 323011462 ODLNQCWZNJQVDL-UHFFFAOYSA-N 427.286 1.660 30 10 IDEE COc1cccc2c1CCN(C(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)CC2 427649399 XSSGLZZRMPPEBW-UHFFFAOYSA-N 433.443 2.458 30 10 IDEE CN(CCNS(=O)(=O)Cc1ccc(C#N)cc1F)S(=O)(=O)c1ccc(F)cc1 435584385 ONLCVGDYWFTRKB-UHFFFAOYSA-N 429.470 1.577 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C#N 441607536 BMFJZGZZDFBCFV-UHFFFAOYSA-N 430.511 1.434 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 446630047 DDUDPIYTVYWSHC-FUPRKESSSA-N 449.511 1.750 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)NCC)C2)cc1 473329123 UDNLGIRGZTVWIO-SFHVURJKSA-N 427.505 1.359 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccsc1 479359279 LWCZJINGHWQTAW-UHFFFAOYSA-N 440.550 1.702 30 10 IDEE N#Cc1c[nH]c(C(=O)NCc2ccccc2N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1 480847499 VOIMHHBPFGXQEP-UHFFFAOYSA-N 427.468 1.979 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)nnc1-c1ccco1 482214304 SRXZMRCKWRGBCJ-UHFFFAOYSA-N 442.549 1.977 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)cc1 482299388 QZJCSLWOASILFK-OAHLLOKOSA-N 437.468 1.738 30 10 IDEE CNC(=O)C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 483425632 YCIKNOVVIZFKHR-OALUTQOASA-N 425.558 1.924 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 487334806 MGUXCPHNXKXQGT-ZJUUUORDSA-N 432.296 1.055 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 503606451 FCRZSCMDYXJJBV-NPMXOYFQSA-N 441.484 1.772 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 504204015 UWBQQLZLBUJTCM-FQEVSTJZSA-N 440.525 1.847 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3C(=O)Nc3nccs3)CC2)o1 512264320 LVBOFARYLBSDAR-HNNXBMFYSA-N 429.506 1.063 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 513705026 HKPZGLZNMYKGIK-IBGZPJMESA-N 439.541 1.853 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 521297438 ITXIDWNUKNALIV-HNNXBMFYSA-N 443.594 1.838 30 10 IDEE Cc1cc2c(N3CCN(CCS(=O)(=O)c4ccc(C#N)cn4)CC3)ncnc2s1 571084486 UDSRWBRVRGJDHX-UHFFFAOYSA-N 428.543 1.862 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)nc1 609515514 DJRHQEAKKZYPIK-INIZCTEOSA-N 428.470 1.169 30 10 IDEE N#C[C@H](NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br)C1CC1 731203158 KYYYJPUUBQEOGV-WBMJQRKESA-N 442.335 1.938 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccccc1C#N 732796325 BWXBNVNLIZXVST-UHFFFAOYSA-N 444.520 1.353 30 10 IDEE N#Cc1ccc(-c2cccc(CNC(=O)NCCS(=O)(=O)N3CCOCC3)c2)s1 740045129 HKLKHQGEAXBDKD-UHFFFAOYSA-N 434.543 1.748 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 743115873 ZWTTWHFEDIUVGV-URMWMRNBSA-N 433.534 1.630 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 750431827 ZPOYHUGBBFFDKO-UHFFFAOYSA-N 443.481 1.304 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1 752197967 DFIHPHGPKKNRLT-YCPHGPKFSA-N 442.559 1.649 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)O 757359303 HOEWBQORGOKOMI-IFZYUDKTSA-N 436.464 1.867 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1 763891910 RQMSQKWGOGZYRJ-UHFFFAOYSA-N 435.546 1.721 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 774078020 PVGFEMPDYRKOAJ-ILXRZTDVSA-N 437.518 1.073 30 10 IDEE C#CCN(C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1)[C@@H]1CCS(=O)(=O)C1 774193023 PDDAYFDNNSBDEA-IAGOWNOFSA-N 437.587 1.633 30 10 IDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1c(Br)cnn1C 789968438 OFICDBBBBWEEDD-UHFFFAOYSA-N 439.343 1.661 30 10 IDEE C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)C1=O 790893068 FCMQPXUUJAIWGZ-AUSIDOKSSA-N 436.516 1.793 30 10 IDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 792658948 OHBZRTFKVGCQSB-WUQYLLKWSA-N 438.509 1.860 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)[C@@H](C#N)C1 796492591 VMDYAMKNRMLWRP-ZDUSSCGKSA-N 440.497 1.613 30 10 IDEE CCOc1ccc(-c2nnc(S)n2CCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 807923661 SIDGROUQWNKASM-UHFFFAOYSA-N 428.518 1.607 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811230654 VAWJCXFCELSDDE-PBHICJAKSA-N 436.534 1.598 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCCc2cnn(C)n2)C1=O 814711594 OIDNEQORTHARTD-MRXNPFEDSA-N 449.606 1.509 30 10 IDEE CN1C(=C2C(=N)N(Cc3cccc([C@]4(C)NC(=O)NC4=O)c3)CC2=O)N(C)c2ccccc21 1115942102 KDBONSUQVLPOII-DEOSSOPVSA-N 444.495 1.901 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)CSc3nnnn3CC(F)(F)F)CC2)c1 1130341145 CVNIQTMYUXPSIH-UHFFFAOYSA-N 439.467 1.980 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)CC1 1136632503 ADXALJFUOQIELQ-UHFFFAOYSA-N 441.482 1.537 30 10 IDEE CN1CCN(C)[C@H](CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1136761394 KEZOLQDDYHAGTQ-UYAOXDASSA-N 427.549 1.755 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(O)C2=O)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1141380116 GSRBAVCFBAFELH-SJLPKXTDSA-N 441.488 1.656 30 10 IDEE C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157884855 LSDJWOSRMCCWRR-HFBDOXOYSA-N 446.348 1.026 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1 1165623613 RPLLHIDYLPDECR-UHFFFAOYSA-N 426.542 1.635 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(-c3c(F)cccc3F)s2)CC1 1208287289 CXBXIEYFGJGGII-UHFFFAOYSA-N 442.473 1.100 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)C1 1233850833 DTPYXWAWFUSQIT-ZWKOTPCHSA-N 439.516 1.942 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286386006 SHPNNQPKDGMBTB-BZSNNMDCSA-N 438.550 1.322 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286388449 PERRIJPOCCPETI-QZTJIDSGSA-N 448.545 1.669 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286563062 NWVKCGXWEGHMCD-KBAYOESNSA-N 439.582 1.629 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCCC2(C)C)C1 1286809879 LUUOGCMBAMXZAE-FVJLSDCUSA-N 438.594 1.903 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1286821693 SFYXNXIOOANDSC-UHFFFAOYSA-N 447.609 1.990 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286823350 MEMVEDSMSRYYDT-OAHLLOKOSA-N 448.597 1.910 30 10 IDEE COC1([C@H](C)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1299524128 NRJZVEIRJXOPHY-INIZCTEOSA-N 437.562 1.986 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)cc1 1300125597 HSGNIGASDGOEMQ-HXUWFJFHSA-N 438.532 1.859 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300496597 SKNXZJVIBSZVCX-OAHLLOKOSA-N 436.607 1.896 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1300496631 SOOULIYCEUYSPB-IRXDYDNUSA-N 426.608 1.942 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1300539124 YNICUDKOLPYBEX-CQSZACIVSA-N 437.447 1.715 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCS(C)(=O)=O 1300649702 OYMICJKIINDYMD-UHFFFAOYSA-N 433.509 1.224 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(F)ccc2OC)CC1 1300685154 IDWZJCALIRQFKE-HSZRJFAPSA-N 443.523 1.881 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1301270084 CAFGPHRCOPYRKH-CRAIPNDOSA-N 433.475 1.816 30 10 IDEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1301619406 AQJIVCKIMDADLC-UHFFFAOYSA-N 441.511 1.888 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302439463 HTEZSFHTNVMFJP-QFPXGYFVSA-N 448.549 1.085 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCOC3)n2CCOCCCO)CC1 1302999716 CSLYLCUUZOUOCO-IBGZPJMESA-N 426.521 1.379 30 10 IDEE CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1305301988 WBCSOIUVJVZMKO-JTSKRJEESA-N 442.568 1.573 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)C2)c(=O)nc1O 1305591943 YJQNNHKVFABUBH-UHFFFAOYSA-N 449.324 1.256 30 10 IDEE N#CC1(CNC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1 1312883271 HCCKVPWISTYDCK-UHFFFAOYSA-N 434.518 1.558 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1OC 1320114549 XHJDEZAUUPLUEP-HZPDHXFCSA-N 446.504 1.900 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)C 1358886030 WKHXTNAAIACXMH-HNNXBMFYSA-N 431.566 1.468 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1358889747 FYXAUVVRSAQOTB-YJBOKZPZSA-N 429.546 1.870 30 10 IDEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358926012 YZWRZPARQOCLOE-UHFFFAOYSA-N 434.544 1.938 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1358929718 GMCDQMUSSKTUNP-ROUUACIJSA-N 439.582 1.276 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1358929739 HBUQIQOJJJIPFQ-QZTJIDSGSA-N 432.550 1.004 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1358949445 CAADRNQSFYKRFW-XFQAVAEZSA-N 435.525 1.196 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CC2)n1 1359028096 HEXNZPVBSVJLDW-QGZVFWFLSA-N 446.577 1.463 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCOC(C)C)CC1 1359029412 XCHPDCLLTRQKOI-UHFFFAOYSA-N 425.537 1.886 30 10 IDEE C=C(C)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359124813 FNTYIQLMXOHZCQ-LJQANCHMSA-N 427.571 1.367 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1359256665 MPMDCXLRFJGDIC-LJQANCHMSA-N 446.515 1.999 30 10 IDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N2CCOCC2)CCSC1 1359273434 AGAIROIVLIOCHD-QFIPXVFZSA-N 446.621 1.787 30 10 IDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)nn1 1436930359 GSKCMLXMUFKTBE-UHFFFAOYSA-N 433.534 1.580 30 10 IDEE COC(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O 1448841386 WEANINDXEZGAQE-QZTJIDSGSA-N 432.908 1.460 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 1462379379 OOAKPEOLHWNCIN-CQSZACIVSA-N 429.589 1.558 30 10 IDEE C=C[C@@](C)(O)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1463942743 HAKHQWGMMCTABE-UMDONVSZSA-N 436.486 1.802 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1503412032 DSXJUTQHFFZYTA-GOSISDBHSA-N 446.602 1.489 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1505120316 AXEFVFLKUISFSM-SJORKVTESA-N 428.518 1.109 30 10 IDEE C#CCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507598721 HLONSQAALONMRD-QPPBQGQZSA-N 444.624 1.948 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1507635947 WONQSFDLPUKUOC-FQEVSTJZSA-N 436.541 1.528 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCNc2nccc(C(F)(F)F)n2)CC1 1507735552 CEUIPGDBZSEJIM-UHFFFAOYSA-N 436.442 1.473 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1507916510 RQXJWHGEKFSLKL-QGZVFWFLSA-N 425.599 1.551 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507959204 JUMMJIKIMAQOLC-INIZCTEOSA-N 437.508 1.180 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1507993272 PFECXMHBHYQLSQ-QGZVFWFLSA-N 437.610 1.570 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1508169997 NZGOQMYUYPOESA-SJLPKXTDSA-N 434.610 1.838 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCOC1 1511971113 NKTCFBNXCBSBGH-PKOBYXMFSA-N 438.532 1.927 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCOC1 1517926444 GOAAWJWHKSRMRT-GHTZIAJQSA-N 445.545 1.636 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1539212030 MTQDOZPJZUIHMB-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCCn1cc(CO)nn1 1539272796 BQJZSWYRAIAEDL-UHFFFAOYSA-N 428.500 1.528 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCN(CC)CC1 1539331553 TVCIEHQHGGFUPI-NRFANRHFSA-N 439.608 1.137 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1539476990 IMLBKYYMLPBCSY-ICSRJNTNSA-N 437.548 1.762 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOC)CC1 1539481265 JOLKRULIJHOZEG-HXUWFJFHSA-N 439.516 1.793 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539499439 KPCMUNZPFMEUPS-WBVHZDCISA-N 426.502 1.935 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539519242 GPTBRJHNJFTCID-QGZVFWFLSA-N 425.624 1.847 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539722541 OSSOFNGPTRLDGV-WBVHZDCISA-N 434.541 1.724 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1539722786 RRTCKPGZSZKWFA-MRXNPFEDSA-N 427.509 1.481 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1539729129 GEQZVODWNOHFBZ-QGZVFWFLSA-N 448.593 1.937 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539798111 CSDOUFSIIPVQIO-MSOLQXFVSA-N 430.940 1.837 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540874704 OTVPYUVRCAASJL-LJQANCHMSA-N 440.548 1.772 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1541803432 IBAOHAJXYUYMQS-TZMCWYRMSA-N 431.547 1.972 30 10 IDEE CC[C@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1545503454 AQJKAAPURGUDNF-LZICOFPGSA-N 429.525 1.377 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1 1547702568 QMGBIFNDBHEVHK-IRXDYDNUSA-N 442.568 1.628 30 10 IDEE CO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)C(F)(F)F 1554617280 DSBHMNMIZCCGLQ-IJLUTSLNSA-N 426.465 1.594 30 10 IDEE COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1557133601 QTWBKQLOHFTFOU-FUHWJXTLSA-N 442.541 1.876 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1558329540 RWXKHRGJKXWXIR-LAUBAEHRSA-N 449.573 1.365 30 10 IDEE CCc1ccc([C@H](C)NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1 1559448937 WJUJXAVCZLONFV-HNNXBMFYSA-N 440.500 1.663 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCS(=O)(=NS(C)(=O)=O)CC1 1559862909 GYYKAWOQDKLERJ-HNNXBMFYSA-N 442.563 1.074 30 10 IDEE N#C[C@]12CN(Cc3noc(Cc4ccc(Br)cc4)n3)C[C@H]1CS(=O)(=O)C2 1560193848 LUWAPFCROPOVGM-SUMWQHHRSA-N 437.319 1.793 30 10 IDEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1561531391 GQBJFVFVUYTVIG-GOSISDBHSA-N 448.545 1.445 30 10 IDEE N#Cc1cn(CCNS(=O)(=O)c2ccc(OCc3ccccc3)c(F)c2)c(=O)nc1O 1561764690 GSYFGSOLYNFXBV-UHFFFAOYSA-N 444.444 1.517 30 10 IDEE CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1583252415 GDCAITNOZYGVNP-JVMRMLDLSA-N 429.473 1.678 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CO[C@@H](CCC(=O)OC(C)(C)C)C3)CC2)c1C#N 1585101541 ZXPUNWZFYLFVLV-SJORKVTESA-N 431.537 1.776 30 10 IDEE CC(C)(C)N1CCc2nc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)sc2C1 1585584317 GXBHPHKRVIVABA-UHFFFAOYSA-N 433.559 1.977 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@@](C)(C#N)C3)CC2)c1 1586803907 QSZSZNMDFSRDOU-QFIPXVFZSA-N 446.573 1.679 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1587765347 FGNUTJSICAWEAM-YLJYHZDGSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588041142 VDGJDQYYDYKOHE-HOCLYGCPSA-N 436.969 1.570 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588044848 CCMVNWGJWNFKCQ-LZJOCLMNSA-N 433.578 1.707 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSc2ccccc21 1588084734 VWQZXRSVVGCIOW-JKSUJKDBSA-N 429.571 1.851 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1588229342 UQDMBHULVRTFJI-KRWDZBQOSA-N 426.498 1.420 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1588645999 FMXLDFCJSIDDSY-IBGZPJMESA-N 437.610 1.388 30 10 IDEE C#CCSCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1589125383 KAESYBUJKBWQGV-RXVVDRJESA-N 446.577 1.608 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1589529588 OEQGNLWSWITJOP-MLYOOKFZSA-N 430.553 1.563 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1593625334 QJGNFDUZRACPGZ-QZTJIDSGSA-N 429.569 1.328 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC)[C@@H](C)C1 1595838283 OHEUYBWYIBWWIT-BZSNNMDCSA-N 441.598 1.133 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1596696292 XKVMXQLTUIMZTG-UHFFFAOYSA-N 433.520 1.403 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)N(C)C1CC1 1611600771 FWEVCNHRAYBCDO-HJPURHCSSA-N 437.548 1.913 30 10 IDEE CC(=O)N[C@](C)(C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)c1ccc(S(C)(=O)=O)cc1 1624816651 JLNFIDXVINKFKO-KNQAVFIVSA-N 425.510 1.597 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCN2Cc3ccccc3OCC2=O)cc1 1625829979 SZMZYSUIGZSQSG-UHFFFAOYSA-N 441.509 1.915 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2coc(CS(C)(=O)=O)n2)cc1 1626004198 NEIVOGGELFSEBZ-HKWRFOASSA-N 440.503 1.284 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCN2C1=O 1629543292 OGJFUDBIWTYTFV-CZUORRHYSA-N 429.864 1.059 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1630107653 LJDPWSWABXTZFS-UHFFFAOYSA-N 448.495 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)C1 1633661948 BMCOXVXEONCTTG-GXZWQRSESA-N 438.525 1.888 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OCC)[C@H]2CCCOC2)s1 1633782206 NZOFWLCHLLVWLZ-SUMWQHHRSA-N 430.548 1.229 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cncc(C#N)c1 1638830449 AQKRSSMEZJOIPH-KRWDZBQOSA-N 434.905 1.456 30 10 IDEE COc1cnc([C@@H]2CCCN2C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1O 1640133350 WWQNRHCIKUVGDI-JSGCOSHPSA-N 445.501 1.372 30 10 IDEE N#Cc1cn(CCNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c(=O)nc1O 1641033713 GMDYIEGURDQYDK-IBGZPJMESA-N 435.406 1.391 30 10 IDEE C=CCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)cc21 1648046398 XBWKZJKISMNFTQ-HNNXBMFYSA-N 439.497 1.861 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ncc(Br)n3C2)cc1 1653640331 VIKBVMVOKUZMAQ-ZDUSSCGKSA-N 439.335 1.855 30 10 IDEE C[C@]1(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)COC(=O)N1 1660193051 IBNAVELOIVGRBD-NZQKXSOJSA-N 443.523 1.745 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1666431857 LTTYONAWQQQLPZ-UAGQMJEPSA-N 443.547 1.007 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1689993087 VIIRFXOHDWTTDT-FXAWDEMLSA-N 439.651 1.541 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(OC(F)F)c2)CC1 1690124478 MBJCGVQTAXBHCS-QGZVFWFLSA-N 432.475 1.972 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690212922 WPPHEZXLOJRVEG-FGZHOGPDSA-N 444.557 1.707 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1690235222 ZPMMPRHALDXJJL-ROUUACIJSA-N 440.342 1.698 30 10 IDEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690485560 WUMTZHMYKOQBRB-FQEVSTJZSA-N 440.548 1.967 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1690508220 DEMZFAZUPUDMBS-SFHVURJKSA-N 446.577 1.495 30 10 IDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690508362 HGTYZVXOCJTJFI-UHFFFAOYSA-N 448.612 1.440 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692565381 KSZPZRQGZDZPEJ-KRWDZBQOSA-N 425.493 1.579 30 10 IDEE CC1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692862101 YAXGZFNYWORRBS-VLGSPTGOSA-N 427.509 1.419 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698028916 PLNZYGLZXPEHLW-UHFFFAOYSA-N 437.504 1.960 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1705479171 FZVYUUXTSPHWJM-LBPRGKRZSA-N 443.371 1.395 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1705551281 KPWIMDXPKQOTIJ-GOSISDBHSA-N 433.534 1.127 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 1705569486 DCGKIODGIMUGJE-INIZCTEOSA-N 432.575 1.861 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1705573924 QPUNOMCGJPVLFG-KRWDZBQOSA-N 428.562 1.071 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705898981 DUHCCHZJYAZRLX-SFHVURJKSA-N 449.515 1.137 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1705932025 IHQRYKOYEAUKHI-UHFFFAOYSA-N 432.550 1.390 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1705937151 KIOGSWYNQDKDMS-UHFFFAOYSA-N 425.555 1.500 30 10 IDEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncn(C)n1 1706920446 FFXHHMFDXDIINZ-XJKSGUPXSA-N 428.884 1.977 30 10 IDEE Cc1cccc(-c2nnc(N3C[C@H](C)O[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1707605898 PZCLWHPCXFYSQP-KMCXXSLUSA-N 437.504 1.789 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)n1 1707825764 JVTIBMIOHZCGOC-UHFFFAOYSA-N 434.570 1.209 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNS(=O)(=O)CC 1708531646 VZTMPUQAEVDKRU-INIZCTEOSA-N 446.581 1.324 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708535729 AGLHVLSEODOCMM-YGCDDZCOSA-N 443.552 1.623 30 10 IDEE CN(C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CCSC1 1711001050 FVOMUVDDLUFOPW-FQEVSTJZSA-N 430.603 1.823 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)OC 1712152147 ABIZUFJUZXSMFJ-UWJYYQICSA-N 426.477 1.509 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC=CCO2)c1 1722305074 CNCNHEFQLOUZFU-HXUWFJFHSA-N 448.527 1.915 30 10 IDEE C#CCCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722324047 ZEJHNISEJZFESD-JOCHJYFZSA-N 432.569 1.974 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1722350847 FOMYGEDDNQAECF-LJQANCHMSA-N 443.529 1.783 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1722363260 ZRVPWDCRWOPYPL-LQWHRVPQSA-N 446.577 1.653 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722371231 VAMZEBSJKOTGMZ-RBUKOAKNSA-N 437.610 1.562 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCS(=O)(=O)C1 1722378566 PWGOMBLHPJNXTH-MRXNPFEDSA-N 426.498 1.571 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1722383118 GXFVBFPCOIWLLF-IBGZPJMESA-N 440.525 1.688 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722428308 DYBNYQJXQYOGIR-QGZVFWFLSA-N 449.552 1.552 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@@H]1C 1722696814 FHTVDWYKOFKADD-GJZGRUSLSA-N 431.566 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1722752186 YDCMWVPKFMVDPL-GOSISDBHSA-N 431.518 1.269 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(C)(C)O)CCOC1 1723688824 FGIPDDRUXRJRHM-PGRDOPGGSA-N 432.569 1.656 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1727096568 WIPLMHZULAGHSF-RNODOKPDSA-N 431.472 1.753 30 10 IDEE CCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1728182287 OWVPBRZYFWSIDT-KRWDZBQOSA-N 425.493 1.485 30 10 IDEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1729603032 APNASSXAMPXYEH-GHMZBOCLSA-N 445.833 1.965 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1N1CCOCC1 1740531778 SXEBTYZUCXNIPS-KRWDZBQOSA-N 439.564 1.934 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1740546780 XQAQFOUAPUGXAN-MRXNPFEDSA-N 449.602 1.790 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1740558372 UVRBGYZLYSQELE-QGZVFWFLSA-N 428.512 1.618 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCc2ccccc21 1740688090 MIRNCZAGOZONSZ-LJQANCHMSA-N 436.560 1.938 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nnn(C)n2)CC1 1740689896 DWDGZKBWMYYXEG-OAHLLOKOSA-N 441.927 1.399 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](Cc2ccccc2)OC)CC1 1740698993 RWQOQIUOVUVQEB-OAQYLSRUSA-N 436.560 1.413 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](OC)[C@H](C)CC)CC1 1740704745 SZQSCVUVZXQJAY-APWZRJJASA-N 425.537 1.762 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740794179 RRKWIULAFTURSQ-UHFFFAOYSA-N 436.520 1.443 30 10 IDEE C=C(C)COCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740799228 INYONHFIDUHKFE-JOCHJYFZSA-N 435.569 1.970 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740832381 DAHQNVWEDABWNQ-MRXNPFEDSA-N 442.582 1.344 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(CC)S(C)(=O)=O)CC1 1740834089 JBHDNVHTSIORNS-UHFFFAOYSA-N 438.598 1.588 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1740887559 DHTQREKEZMPTKH-APWZRJJASA-N 427.571 1.488 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740992690 LQXLAFCEBCZARO-ROUUACIJSA-N 444.561 1.112 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)OC)C1 1740993249 VCEGXTNZTDWLHC-KRWDZBQOSA-N 433.534 1.254 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CCC(C)(C)O 1743232855 IGWVIAYGUTZOBR-IRXDYDNUSA-N 440.552 1.710 30 10 IDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C(C)C 1746330677 AXLXCGBFOPNTTO-SFHVURJKSA-N 425.537 1.771 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1748791115 OXHOYRUWSIKOJD-OKZBNKHCSA-N 439.582 1.132 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCS(=O)(=O)c1ccccc1 1748803379 YAMDDIZJPHYDGZ-HKUYNNGSSA-N 432.546 1.936 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCOc2cccc(OC)c2)CC1 1748986702 HRNLCVYGIIWUQD-UHFFFAOYSA-N 433.516 1.968 30 10 IDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)(=O)CC1 1749393369 SIDFPLHKICZGNL-UHFFFAOYSA-N 428.522 1.512 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(=O)NC)CC1 1749658894 XQZGIGHYSIWIPH-UHFFFAOYSA-N 446.939 1.872 30 10 IDEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749728647 AFDVVTODTLZOES-UHFFFAOYSA-N 441.511 1.774 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2oncc2C1 1749740446 DVLBWDJQRXMWLA-YOEHRIQHSA-N 437.522 1.154 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749752147 JUPUEOZLWZHNRT-INIZCTEOSA-N 442.593 1.443 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1750068360 BEUGDLLUCCSAEG-CRAIPNDOSA-N 439.520 1.340 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1750149969 RGQARIRRXHBSPI-VXMYLDFPSA-N 430.509 1.517 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1750980123 DDWFWZMLZPLNMF-UHFFFAOYSA-N 445.531 1.848 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(F)c(F)c1 1751215801 AWTTXSNTPKEVDG-XIKOKIGWSA-N 442.467 1.851 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1760186944 BISRLSSJIQLWQX-KRWDZBQOSA-N 427.534 1.564 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1760190511 XDQWBMMYQGQWBF-INIZCTEOSA-N 426.502 1.352 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760237552 MYFVPWOEMVDDJY-FQEVSTJZSA-N 440.596 1.542 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1760245038 OWUQAMVSBRSTIE-OPAMFIHVSA-N 430.505 1.588 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)F)CC1 1760389185 FNZXDCSHBSADGA-AWEZNQCLSA-N 435.497 1.397 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)n1 1762445719 GXYSLAFUHNSJAL-LJQANCHMSA-N 431.566 1.847 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1767097000 HEBXKSDEUKPSAI-AVRDEDQJSA-N 430.601 1.572 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1ccc(C#N)o1 1770197757 ZHVGXKTUSZJXNT-JXFKEZNVSA-N 442.520 1.997 30 10 IDEE CN1CCC(N2C[C@@H](C(=O)N3CCCc4nc(C#N)cc(Br)c43)CC2=O)CC1 1849433445 AYACWBDLVKXTLG-ZDUSSCGKSA-N 446.349 1.938 30 10 IDEE C#CC[C@H](F)C(=O)N(CCN1CCOCC1)c1ncc2c(Br)nn(C)c2n1 1850537244 SUZDPIAVOLRMPC-ZDUSSCGKSA-N 439.289 1.152 30 10 IDEE CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC#CCN1CCOCC1 1851728824 RDGVVWSSKRHQML-GOSISDBHSA-N 427.954 1.095 30 10 IDEE C=CCN(C(=O)[C@@H]1CSC2(CCC3(CC2)OCCO3)N1C(C)=O)[C@@H]1CCN(C)C1=O 1852209430 YXMHIYROGSKCNQ-SJORKVTESA-N 437.562 1.209 30 10 IDEE N#C[C@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)[C@@H]1CCCO1)CC2 1857231911 JUDRNVVINGZFBH-QAPCUYQASA-N 429.498 1.596 30 10 IDEE N#CCc1[nH][nH]c(=NC(=O)c2cc(O)c3cccc(I)c3n2)c1C#N 1866526574 ATAOMLKMCNFUOU-UHFFFAOYSA-N 444.192 1.880 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCN1CCOCC1 1870576041 KOUQTQFOKLVJDI-UHFFFAOYSA-N 446.577 1.198 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)CC1 1889405580 QMUYPJGFDAFOIN-UHFFFAOYSA-N 439.600 1.993 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)CC1 1889612189 MLAMYADVXLLOKC-UHFFFAOYSA-N 437.581 1.945 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 1984792330 XUFHNZPGFMUMJO-ZIAGYGMSSA-N 425.482 1.436 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2081009473 OGRXQYGVWFJARN-XHSDSOJGSA-N 438.330 1.118 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2124513854 DBTAQAGHXAOJRW-GJZGRUSLSA-N 448.329 1.787 30 10 IDEE Cn1cc(Br)c(S(=O)(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)n1 2206623101 RHLCWFYZSJDCNI-UHFFFAOYSA-N 443.132 1.678 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2224139588 MNYUNINJPOWOJV-OWCLPIDISA-N 435.330 1.134 30 10 IDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243435187 MFJOGRCEWROTEK-UHFFFAOYSA-N 448.372 1.782 30 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2267544476 VBPOEJYUHCXMKI-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267548988 WJGKVDGEFUPXMY-UHFFFAOYSA-N 444.341 1.859 30 10 IDEE C[C@H]1[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267605309 LXPDSZBETXULRL-KGLIPLIRSA-N 449.361 1.584 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)COC1 2267805452 JSYVZHBQSVCEEA-UHFFFAOYSA-N 448.325 1.715 30 10 IDEE CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(c3nccc(C#N)n3)CCO2)n1 2296587775 PFQHZRSOPPQVSS-SFHVURJKSA-N 430.472 1.548 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2334270224 PPBNFLXNFFSROD-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334270579 ZPFCCONKANIEBV-BMFZPTHFSA-N 446.357 1.940 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 29149744 ALUSTDZQELGBAX-AWEZNQCLSA-N 435.527 1.724 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 426246130 YZUGCEFDHBCTPK-INIZCTEOSA-N 427.486 1.352 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 437628346 WAQCAXBROODPTE-WMLDXEAASA-N 429.564 1.549 30 10 IDEE COc1ccnc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CC2)n1 480967295 DPGHLDDIBTUQGH-CQSZACIVSA-N 430.490 1.525 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(COC3CCOCC3)cc2)CC1 506027003 YTIAGEFADBBFAG-UHFFFAOYSA-N 430.549 1.512 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 508850534 VKWHTPYIELBLOR-ZDUSSCGKSA-N 425.584 1.161 30 10 IDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 511615380 WNSBIQSITNWVFI-UHFFFAOYSA-N 429.484 1.688 30 10 IDEE CN1C(=O)NC2(CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CC2)C1=O 542034119 VNIUEYRYKJPALZ-UHFFFAOYSA-N 427.852 1.945 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(OC)n(C)n3)nnc12 547537538 LZBUTMLMNBASMM-UHFFFAOYSA-N 425.474 1.703 30 10 IDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CC1 566980459 SANONLNNUYWRGZ-FQEVSTJZSA-N 441.551 1.926 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCO3)CC2)c(F)c1 573581632 LTMQNZZMHJERSJ-YLJYHZDGSA-N 442.495 1.882 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCN2CCCS2(=O)=O)cc1 586778599 UNPHBKISAJDBDD-UHFFFAOYSA-N 430.552 1.040 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 609311405 XIOOCSRMQFUWFP-UHFFFAOYSA-N 425.466 1.885 30 10 IDEE COc1ccc(CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)c(OC)c1OC 609340834 FTDWTHWMDWLJKC-UHFFFAOYSA-N 431.537 1.528 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 614910140 PQBXXCACPGODTN-UHFFFAOYSA-N 425.554 1.279 30 10 IDEE N#Cc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)on2)c1 619126929 JQTLYCNGBVGSSM-UHFFFAOYSA-N 437.481 1.823 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 670232796 QBKFTDGNIDXMKC-SFHVURJKSA-N 446.577 1.876 30 10 IDEE N#C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Br)cc1 733252909 DAWZBQIHKMFNFM-AWEZNQCLSA-N 434.271 1.975 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OCC1CCOCC1 741428514 YFTIZZSAVOURBA-FQEVSTJZSA-N 426.517 1.938 30 10 IDEE COc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)cc1C#N 747446977 PCOGJANRHNDTQQ-UHFFFAOYSA-N 430.417 1.993 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N([C@H]2CCOC2)C1=O 751693316 SXFYULRUABDYDZ-DOTOQJQBSA-N 449.964 2.000 30 10 IDEE CC[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 762723707 YMYKXAMEJSZVPJ-GFCCVEGCSA-N 430.324 1.892 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 766990127 GQUHBWNTPSVOPW-LBPRGKRZSA-N 435.408 1.703 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)c(C)o1 767956365 UIBANDBXZKKEEI-UHFFFAOYSA-N 441.553 1.324 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1-c1ccccc1C#N 767959911 VPSDJWQRCANSHV-UHFFFAOYSA-N 430.489 1.786 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)Cc2cnn(C)c2)n(Cc2ccccc2)c1C 786850767 AFBBNXLLTQMUIR-FQEVSTJZSA-N 435.484 1.844 30 10 IDEE CC[C@@H](NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)c1ccccc1OCC(=O)NC 788067549 GQLIPARVUIRQMX-GOSISDBHSA-N 438.484 1.575 30 10 IDEE C=CC[C@]1(C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCN1C(=O)OC(C)(C)C 790744071 YCUYCTYLADPFLG-LJQANCHMSA-N 442.538 1.556 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC#Cc2ccccc2)c1 791305053 GHOVJYAJVJUEGZ-UHFFFAOYSA-N 428.510 1.982 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1=O 801775147 YKBAGAFKPDEBOK-NRFANRHFSA-N 434.493 1.213 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 814611621 WAOVFGIFGNWHKH-UHFFFAOYSA-N 449.510 1.114 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 816290708 MDNKWPXSXHZQGA-UHFFFAOYSA-N 438.937 1.713 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCCc1nc(-c2ccncc2)no1 913228856 FEJMLRYDJAYBER-UHFFFAOYSA-N 427.442 1.346 30 10 IDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1129748839 SYVZLLZXKPPWLH-AWEZNQCLSA-N 441.893 1.510 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCS(=O)(=O)CC2CC2)C1 1149784972 BNIPWWZJLVIDNP-UHFFFAOYSA-N 426.336 1.698 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1=O 1155857222 CZRQYNPWQWFYHN-WNNBVUDTSA-N 427.567 1.380 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC(=O)NCCN2CCCCCC2)CC1 1160117911 HTGAXZVFDZSVOC-UHFFFAOYSA-N 434.581 1.745 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C\c3ccc(C(N)=O)cc3)C2)c1 1168643394 VKBPHVBXEIIRQW-GIVJRHHMSA-N 443.507 1.984 30 10 IDEE C=CC[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OCC 1189086508 BDBANUZMJQOCSE-ZWKOTPCHSA-N 440.518 1.451 30 10 IDEE C#Cc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1211153794 AZBMLJQMVBGDKA-UHFFFAOYSA-N 427.530 1.014 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 1213770685 JCIXHCDUUQAGDY-UHFFFAOYSA-N 431.308 1.872 30 10 IDEE CN1CCn2nc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)cc2S1(=O)=O 1266542901 NQHIJAXUQGXQDY-UHFFFAOYSA-N 431.865 1.480 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCN(C(C)C)CC1 1286368604 WLUPJQPFPJUJNJ-UHFFFAOYSA-N 435.536 1.226 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1286415004 DFGUCFBUYMZQHY-HXUWFJFHSA-N 445.317 1.844 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cc(OC)ccc2n1C 1286415902 SIFMKFUBFLWHAD-UHFFFAOYSA-N 445.527 1.921 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOCC1(C)C 1286463303 DAYZGUFKVZLDDC-UHFFFAOYSA-N 441.532 1.871 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)CC1 1286545999 FADXGKLZUDDCDU-NVXWUHKLSA-N 439.582 1.413 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1286638379 ZWBZPDUWCHQXCC-IAGOWNOFSA-N 449.581 1.445 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCS(C)(=O)=O 1286780326 SVMXJHBSBLEPQT-UHFFFAOYSA-N 442.545 1.585 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCOC[C@@H]1C 1286820088 DTXVVPAMCGVTMI-MAUKXSAKSA-N 434.518 1.617 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(CC(F)(F)F)C1 1298796718 SMIXBEJTCVQPIW-CYBMUJFWSA-N 432.468 1.648 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300393311 DEYHASPUMSITJR-UHFFFAOYSA-N 438.532 1.540 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300502860 YRVHLVSCBFRMOR-RBUKOAKNSA-N 433.622 1.978 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1300643920 VSWUNXVYFUKAME-OAHLLOKOSA-N 445.524 1.449 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCC[C@H]2C)CC1 1300685649 RITOIMPNGHUFLU-OFNKIYASSA-N 430.597 1.558 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1300778311 RYJJPFVENGLLOO-LJQANCHMSA-N 440.573 1.922 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1300879178 BLDWUNOVTYORFM-CRAIPNDOSA-N 434.566 1.673 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301238559 ATHWAGVJDBYUEU-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1301296498 IKBLFJRBVYEEQS-QGZVFWFLSA-N 447.561 1.318 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1301349858 PGZCOQGSNWHUIQ-UHFFFAOYSA-N 438.532 1.452 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1301806404 GETNNDBHEHSBPQ-HKBQPEDESA-N 448.549 1.673 30 10 IDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1303556593 BAGGPUMNAFKXJJ-INIZCTEOSA-N 432.550 1.712 30 10 IDEE C[C@@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1305111352 BOQPMSAMVXVPRN-DRSNIGMVSA-N 447.559 1.730 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)cn1 1311815036 DOPONIWUDJNPMR-UHFFFAOYSA-N 433.516 1.134 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1316341244 HVRAZZBNBRDXFJ-SFHVURJKSA-N 444.561 1.733 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 1316535813 BHIUJTFFIRXAGY-GOSISDBHSA-N 442.545 1.457 30 10 IDEE O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1322726915 FQRSIRKULPOJNP-ZCFIWIBFSA-N 438.275 1.725 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1358960375 CUYDOPQTUIUTOU-LJQANCHMSA-N 430.578 1.699 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1359024640 RTZDCFYJDZPRRR-OALUTQOASA-N 437.610 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCCC2)CC1 1359029672 DSLIZVOPKBRWDF-QHCPKHFHSA-N 444.580 1.120 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359032898 IFCRXTSUWFGYCS-KRWDZBQOSA-N 429.546 1.144 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359048000 AZNAKLGESDUGOJ-OAHLLOKOSA-N 448.574 1.305 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl 1359291657 ZFRKHMSHLBZUCE-UHFFFAOYSA-N 446.939 1.985 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1cc(I)ccc1Br 1450158989 RFJGJHYVCFQACL-VIFPVBQESA-N 425.020 1.774 30 10 IDEE COCCN(CC#N)C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1468720953 IDCXHUAUHJULOW-UHFFFAOYSA-N 431.518 1.155 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1495541470 WNRBABZRFMKFBE-IKRFMFEDSA-N 437.504 1.981 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1496314003 DOUMRUXCGMFGQT-MRXNPFEDSA-N 449.519 1.285 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1499949350 HMWFLKSNXYJXRQ-HSZRJFAPSA-N 439.564 1.626 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1503276355 YEKPFZZVDMGQGJ-IBGZPJMESA-N 436.513 1.725 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1503704359 FPSNGBFBNDUPAA-KRWDZBQOSA-N 439.564 1.746 30 10 IDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1507568516 XDKPWTDWMCVEAO-UHFFFAOYSA-N 425.533 1.976 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1507573273 GECQNYPHEHHTIU-MRXNPFEDSA-N 436.607 1.685 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCS(=O)(=O)CC 1507580482 GEIGWQZHBUNQRL-UHFFFAOYSA-N 428.522 1.205 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507631697 RSSLZPPCBBLORS-QGZVFWFLSA-N 440.504 1.744 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507635160 PZBSILPKIITTPM-DOTOQJQBSA-N 435.575 1.297 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507645248 VVMNSSHCVVIUIX-MRXNPFEDSA-N 442.501 1.208 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1507713799 XKAUZLJZGRHFJY-UHFFFAOYSA-N 449.437 1.281 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507753318 DYYFAIQYRFMSBP-INIZCTEOSA-N 444.586 1.620 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)F)CC1 1507791505 MTJSBKGTJSMGEO-DOTOQJQBSA-N 426.512 1.785 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)F)CC1 1507791509 MTJSBKGTJSMGEO-RDJZCZTQSA-N 426.512 1.785 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1507914981 QXHUZCQASZLBTQ-HNNXBMFYSA-N 426.587 1.549 30 10 IDEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508151933 QKMZEKXQRYIOPS-UHFFFAOYSA-N 444.561 1.693 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCOCC2)CCOC1 1508410179 DJSMZNIRXRCHHY-LAUBAEHRSA-N 434.541 1.163 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC(F)F 1509654228 AVRVJOMBQWBYHH-UHFFFAOYSA-N 435.435 1.581 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1512403831 GLRPHMRTILCVHS-HXOBKFHXSA-N 438.532 1.973 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OCC)CC1 1515990360 HFYKSXVGXQLNPV-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(CC#N)cc3)CC2)cc1 1527893040 XIOFNLFDCZRIQJ-UHFFFAOYSA-N 442.541 1.643 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1538972591 KTGCFCAEIBXQJB-RRFJBIMHSA-N 442.586 1.650 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539064092 XYIPYCPJZAAVMF-UHFFFAOYSA-N 433.582 1.732 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)F 1539150020 YNUYTXNJLOFTBM-LBPRGKRZSA-N 428.465 1.045 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCN1CCN(Cc2ccccc2)CC1 1539190853 UNVOHHCVVUSLQG-UHFFFAOYSA-N 435.576 1.288 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCc1cnn(C)n1 1539201144 XJVUMMZQRXRKNH-WOVMCDHWSA-N 428.541 1.880 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-c1cnn(C)c1 1539420574 IDOZHWMHCNNENW-UHFFFAOYSA-N 447.543 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1540902456 JVEIVGKPYXOGPV-UHFFFAOYSA-N 441.561 1.740 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOc1ccccc1 1541945688 KKIPFJKXMKWVNV-RDJZCZTQSA-N 434.522 1.086 30 10 IDEE CC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1545234610 MGYOLRSOMXOTRU-JOCHJYFZSA-N 438.536 1.155 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1552900092 DIZCWSCCLHMADS-DEXQXJORSA-N 433.559 1.351 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1555188416 FYCUPXLVPRFISN-RYQLBKOJSA-N 428.449 1.634 30 10 IDEE N#CC[C@H](NC(=O)CNC(=O)c1ccccc1I)C(F)(F)F 1558443180 ULUKSBCHRNSVIH-JTQLQIEISA-N 425.148 1.982 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc4nc(O)n(CC(F)(F)F)c4c3)C[C@H]1CS(=O)(=O)C2 1558642838 FGTWVSCMIRHQOY-MEDUHNTESA-N 428.392 1.315 30 10 IDEE C#CCN(C(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1563309447 OOBNGGUUVARSLV-CQSZACIVSA-N 437.522 1.288 30 10 IDEE COCCN1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1566474575 FDXDPKHOVBXQEI-HXUWFJFHSA-N 442.516 1.710 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1584315002 HBXJIWMTZIGRBW-WMZOPIPTSA-N 436.530 1.566 30 10 IDEE C#CCCN(CCOC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1585574103 RBUZAJYGGGAIAW-ZACQAIPSSA-N 428.551 1.155 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N1CCCCC1 1587974847 CLNLVDOPKLYAKJ-UHFFFAOYSA-N 433.516 1.664 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1588433142 MEGWNZMGVXQJFX-OAQYLSRUSA-N 432.546 1.081 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@H](C)C1 1595760212 LHRIJLMCRJFPBI-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1617241061 JKNJVQWZRJEDGT-NYDSKATKSA-N 441.532 1.988 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H]1C 1618895003 CUYXCSYIJMWMIO-ZDUSSCGKSA-N 447.446 1.475 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1620077596 UXCLOGUGHBNMST-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc21 1622605943 WSJWTXXJEDTUJQ-RFUYNDQBSA-N 437.543 1.106 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(OC)c3)CC2)c1 1623355726 XULVOBLWWHRCPO-UHFFFAOYSA-N 445.497 1.731 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1627177500 KGXXPNHVWUONOO-UHFFFAOYSA-N 438.502 1.190 30 10 IDEE C=CC1(CC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CN(C(=O)OC(C)(C)C)C1 1628477232 YRJSFYWMCCHETE-UHFFFAOYSA-N 433.509 1.494 30 10 IDEE C=CCC1(O)CN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)C1 1634492792 TYINIINRKIXIFM-UHFFFAOYSA-N 431.537 1.837 30 10 IDEE C#Cc1ccccc1CC(=O)N1CCN(c2ncc(I)cn2)CC1 1635090475 KMSJKTHDOKDMIR-UHFFFAOYSA-N 432.265 1.954 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1637076937 OYERDUSZIBNDPS-SJLPKXTDSA-N 432.326 1.473 30 10 IDEE N#CC1(CNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CCOCC1 1637332035 OPAJASUIQBXTTI-UHFFFAOYSA-N 433.306 1.957 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)CC2)cn1 1637455464 RGIXKCCYOSFXDB-UHFFFAOYSA-N 439.541 1.775 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1640794090 IMUGFJNCKIQTLA-CVEARBPZSA-N 430.530 1.481 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1642892992 NEDPMGBMNKGRDL-NRFANRHFSA-N 441.553 1.537 30 10 IDEE CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1645998054 YYWZLAXAQOVIRW-ORAYPTAESA-N 437.522 1.362 30 10 IDEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1646439329 BAIMBDWRFWAVIL-KKSFZXQISA-N 433.530 1.764 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1650971992 DIGMTNACOIQYDP-HNNXBMFYSA-N 437.518 1.212 30 10 IDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)c(C)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973794 WVERGBGHQVEUQQ-UHFFFAOYSA-N 425.507 1.710 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)sc(C)c1C 1654885829 SSJAMUCEOCCBPY-UGSOOPFHSA-N 425.532 1.350 30 10 IDEE N#Cc1ccc(OC2CCN(S(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)c(F)c1 1663818478 CXIGFNNVCIBJJA-HNNXBMFYSA-N 430.523 1.695 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(C(=O)OCC)C[C@@H]2CO)cc1 1667321767 FRYCAECMWJJUJQ-PBHICJAKSA-N 440.522 1.064 30 10 IDEE CCN(CCC#N)S(=O)(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1670186653 GDSDKCNTOLAQPH-HNNXBMFYSA-N 428.555 1.121 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1690032877 LETRLYPESMALPA-IRXDYDNUSA-N 427.530 1.527 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CCCO1 1690100795 CHKWQXDCRDLMOJ-HSZRJFAPSA-N 436.516 1.847 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC)CC1 1690238637 LVVDWCNXLDVQDL-SQNIBIBYSA-N 437.541 1.872 30 10 IDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1)c1ccccc1 1690323988 FORNUYQJTNCWLN-PKOBYXMFSA-N 447.561 1.550 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(C)(C)CN1CCOCC1 1690327887 ABPAZOBKJQJCNF-OAHLLOKOSA-N 449.021 1.435 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1692564736 HSBDMBKGMJPJAR-SFHVURJKSA-N 438.536 1.638 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705517297 SKSRXHFUNPTCOS-QZTJIDSGSA-N 435.594 1.677 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1705540448 AFEODVCHPQNEJS-UHFFFAOYSA-N 433.472 1.433 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705566554 PBWPUAUBAVETHY-SJORKVTESA-N 431.566 1.092 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1705582466 BMEGXRCLWVPPDC-IAGOWNOFSA-N 435.500 1.644 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1705587822 KKJOXDZXFUAZBT-OVCNXMPXSA-N 443.548 1.662 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](CC)N2CCCC2)CC1 1705647148 BGUGBCYGUQOUSO-LJQANCHMSA-N 436.564 1.575 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705657335 BBAWFTHIWRGBNB-UHFFFAOYSA-N 427.578 1.353 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)F 1705675797 BJGGXOYXASRENF-OAQYLSRUSA-N 427.459 1.890 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(C(=O)C(C)C)CC1 1705900037 NVBANSYTHADYQK-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)nn(C)c2OC)C1 1705929365 PHWINFACLOACTJ-INIZCTEOSA-N 443.552 1.535 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706609928 KIJFBYLOVFFPSQ-OSCRUYLVSA-N 443.552 1.815 30 10 IDEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1709767244 HUKGZMMBIHZOKQ-QZTJIDSGSA-N 436.582 1.031 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722280947 LUJYPTLOFNOPKT-CABCVRRESA-N 432.506 1.593 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1722295758 LUNPHYKDXVTMLZ-QUCCMNQESA-N 445.589 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1722358426 BNHTVMIWHJHFJV-HNNXBMFYSA-N 429.506 1.142 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722366620 JFCKMWDAUVUDGX-RTBURBONSA-N 444.557 1.660 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1 1722388122 VOSAFIJGMKJVKJ-HXUWFJFHSA-N 425.581 1.003 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1CC 1722407107 YVBMWVOOHVRKPR-UHFFFAOYSA-N 442.549 1.315 30 10 IDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722617654 OWRQXXDBPNKBSN-UHFFFAOYSA-N 425.537 1.403 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1722655960 NQAFBOKNUUKPEO-HSZRJFAPSA-N 436.516 1.616 30 10 IDEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1722998700 AYEJHDHWJHZYQZ-MRXNPFEDSA-N 425.493 1.653 30 10 IDEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1729158327 ZTCWYISNCSJMPL-HXUWFJFHSA-N 437.548 1.850 30 10 IDEE COCCN1C[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1=O 1730779749 YODNTRBNBVSVOV-OALUTQOASA-N 430.553 1.797 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740593912 UVCKARGKNGPPDO-LJQANCHMSA-N 441.605 1.790 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740620876 HDAOFJRCMKYEDR-PMACEKPBSA-N 444.605 1.943 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740621944 QNZILEORMYVVAC-QZTJIDSGSA-N 447.561 1.106 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1740622712 HHMLWAFILVOIQQ-LSDHHAIUSA-N 433.559 1.274 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1740626265 WGVAENIDSKSMID-GBESFXJTSA-N 447.605 1.854 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1740638113 JOMHNRSPBCMSHV-QUCCMNQESA-N 443.548 1.695 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1740646047 PINVFLXGFPGRMR-MSOLQXFVSA-N 429.546 1.819 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1740663521 LKAQEHMMHXBSDC-UHFFFAOYSA-N 429.269 1.887 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)CC1 1740696601 YQSZGXSNJGAXMT-MRXNPFEDSA-N 435.500 1.262 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCc2nc(C)no2)CC1 1740698432 FOKOXLSNSWCJHL-UHFFFAOYSA-N 435.532 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2c(C)noc2C)CC1 1740706420 XKFLXMNZTZPLFK-SFHVURJKSA-N 426.521 1.595 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740718532 PZBLXVAVEOUKOU-CVEARBPZSA-N 427.596 1.057 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740793346 RDCHMPGMVKCLAW-UTKZUKDTSA-N 429.525 1.307 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2OC)CC1 1740818956 ZIEKTRXAUJOLHJ-CQSZACIVSA-N 436.538 1.505 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740953183 YATGJQTVBGUWCQ-CABCVRRESA-N 444.467 1.500 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740990318 QLYPPNWICDHRPF-SFHVURJKSA-N 445.549 1.668 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C 1740994347 PVNCUOSXAASPRL-SJORKVTESA-N 425.599 1.333 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1741728577 VEYYDQYDOVTJEO-KVJIRVJXSA-N 433.553 1.989 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)N(C)C1CCCCC1 1741903742 CLQAJWXHOBZNJW-CABCVRRESA-N 439.586 1.418 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1748648003 WJGCEKDGJSSGHQ-SZNDQCEHSA-N 443.577 1.483 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1748814759 IXLDWOCXIHLUAN-NVXWUHKLSA-N 449.483 1.182 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748819984 WGDQSHPRKPXITB-QUCCMNQESA-N 444.605 1.621 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748823737 AROYRUQIQZEPCT-IPMKNSEASA-N 435.594 1.488 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1748929252 HGYULNDJLMGQQX-QGZVFWFLSA-N 425.518 1.269 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1749023028 OXKIZXLJCNUADW-WBVHZDCISA-N 441.623 1.508 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1749229978 SCSMMMXUXHEBJC-QGZVFWFLSA-N 439.582 1.220 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1749426856 JCGHBAJFLJINNS-XLIONFOSSA-N 439.582 1.584 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H](C)O1 1749575314 ACVCOPSVXXIKKA-CRAIPNDOSA-N 428.493 1.057 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1749670655 UODVUOSBCLUAOY-SJORKVTESA-N 446.458 1.388 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749677200 RCAKXLUYNFJTOB-UXHICEINSA-N 436.560 1.718 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1749684063 OUTJKFHDLRSJIP-MJGOQNOKSA-N 438.532 1.934 30 10 IDEE COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1749837219 AHLHWRJSOHUPKU-VQIMIIECSA-N 446.577 1.865 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccco2)CCO1 1750385901 CTGOVZHFPKQRRE-AWEZNQCLSA-N 427.852 1.745 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750955486 YCFKPXFAUFNNOI-XUTLUUPISA-N 449.515 1.505 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(N2CCOCC2)CCSC1 1760160566 HDRLSOSXSSUWMH-NRFANRHFSA-N 434.610 1.474 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760184540 JKSIRROWQSHUJE-CABCVRRESA-N 439.488 1.335 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760187006 SHSYZPHMLSEXNA-RXVVDRJESA-N 434.537 1.796 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1760206258 UWPYWGXUDAWTQZ-UWJYYQICSA-N 430.530 1.371 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760222161 YPZWPVBIKYHQOH-OAQYLSRUSA-N 439.585 1.950 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCOC)CC1 1760260469 TXXVVHQNFORDSZ-UHFFFAOYSA-N 437.504 1.012 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1760272577 OZQIBGXSAMDTTD-UHFFFAOYSA-N 437.573 1.981 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1760283015 ZAWMPFRDLCPZJL-KDURUIRLSA-N 432.638 1.833 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H](OC)C1 1760306127 CFTCEEDMSHYARN-IACUBPJLSA-N 433.372 1.950 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1760514745 MHFWYENGPXUWGI-QGZVFWFLSA-N 440.548 1.892 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1760548726 NVMZDMLONMOLFZ-HZPDHXFCSA-N 449.508 1.887 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCS1(=O)=O 1761021079 ZVRDQHJWWSDODH-UHFFFAOYSA-N 445.549 1.047 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1 1763037415 ZDDYEOBXMQSORQ-PKOBYXMFSA-N 438.532 1.927 30 10 IDEE CCCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766258271 WWQWMNKRGMCLDN-INIZCTEOSA-N 443.502 1.850 30 10 IDEE CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1766407304 QUVHHUBUEZCERN-FBMGVBCBSA-N 429.506 1.252 30 10 IDEE CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1768306018 XMIPNSTVLJXGJT-BXWFABGCSA-N 440.570 1.071 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)C1 1769197204 ZBACWYKGKCKVAU-QGZVFWFLSA-N 435.488 1.962 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCO)CC1 1770740403 GGCXFZZAEZADQG-UHFFFAOYSA-N 438.536 1.270 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1771221822 BYGSHWMQVLOQFL-WMZOPIPTSA-N 434.541 1.522 30 10 IDEE N#Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1NC(=O)[C@H]1CN2CCN1CC2 1852102216 TXVIMLDJEJXQGT-CYBMUJFWSA-N 425.802 1.749 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cnnn1C 1854536899 KNHNJYIFVZGMJO-HNNXBMFYSA-N 429.502 1.664 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858336754 YCJMENSTOZICMR-CQSZACIVSA-N 436.471 1.208 30 10 IDEE C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869930372 YWROLJHIWCJNFT-JTDSTZFVSA-N 427.526 1.972 30 10 IDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(C(C)=O)CC2)nc1C(F)(F)F 1872800383 SNCBASOUJYFPER-LLVKDONJSA-N 432.424 1.679 30 10 IDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)C2)c1 1889518438 NTLCLDBYYLQRCQ-HOTGVXAUSA-N 441.513 1.292 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)=C[C@@H]1O 1908930697 GRMOSMFMGMEMMJ-AQNXPRMDSA-N 426.517 1.807 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2247962554 PHJWEGRTFQRAAE-GJZGRUSLSA-N 446.375 1.464 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255625788 XDKGYEGRKBCJMJ-KBPBESRZSA-N 432.330 1.553 30 10 IDEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2255816212 APBWAFWCJSWRAT-CQSZACIVSA-N 434.346 1.752 30 10 IDEE Cn1cc(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267171198 GQTDLIVGVISKPY-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267605312 LXPDSZBETXULRL-UONOGXRCSA-N 449.361 1.584 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)O 2269075224 VANSBBRYUAOYSZ-RDTXWAMCSA-N 443.309 1.508 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n1C 2315630780 OYULIVNAFXYUOB-UONOGXRCSA-N 434.346 1.671 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 17843223 UNQQBHZPWXUIEJ-UHFFFAOYSA-N 426.542 1.880 30 10 IDEE COc1cccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 110474151 ZYCJOCLOWJWZGU-UHFFFAOYSA-N 449.554 1.347 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCOC[C@@]2(CC[C@@H](CNc3ncccn3)O2)C1 247695421 ZNJPZSGIOWZWRA-FXAWDEMLSA-N 429.502 1.399 30 10 IDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 254481870 QKSFSFXEPGTZJU-IUODEOHRSA-N 442.515 1.560 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cc21 427083222 YCMSJYBTUQEEHS-FQEVSTJZSA-N 429.480 1.714 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 429296145 RAEDFYXGRILZFF-KGLIPLIRSA-N 435.912 1.500 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CCC1 430989469 MGORDXZCWMSNDP-UHFFFAOYSA-N 449.536 1.086 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ncn(Cc3cccc(F)c3)n2)c1 444282120 XGYHUPFUVZZKMZ-UHFFFAOYSA-N 429.477 1.860 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 469555499 AHXADGZTKXXVAZ-QFBILLFUSA-N 445.545 1.738 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)o1 471185928 FJLIABIQRVDZTJ-GOSISDBHSA-N 441.553 1.806 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 481744951 OOYGSYYTHBTRJW-GOEBONIOSA-N 428.518 1.558 30 10 IDEE CCc1cnc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 482391726 SQXLDGIBPDNUHK-AWEZNQCLSA-N 433.559 1.593 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cc2OC)CC1 508928721 BPKNEQPEWIBESV-OAHLLOKOSA-N 435.525 1.841 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)cc2C1=O 523170843 FZTFCLYBWFHLOA-HSZRJFAPSA-N 432.436 1.453 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1C 540330590 CVGQJUNSDQICNC-UHFFFAOYSA-N 443.529 1.638 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544080047 DJCLDCDTANDGAM-UHFFFAOYSA-N 437.550 1.468 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 555241851 WENBCZWEGCQJCM-CQSZACIVSA-N 437.488 1.966 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCOC2)CC1 555450134 SQGFRJYEJIKKRQ-GOSISDBHSA-N 440.548 1.414 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@H]1CCCO1 590914302 DXRGHWMXLYGNSJ-CYBMUJFWSA-N 449.935 1.911 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)cc1 604004533 CXWVCANNVHIKNX-UHFFFAOYSA-N 440.481 1.929 30 10 IDEE Cc1c(C#N)c(NC(=O)CCN(C)CCN2CCCS2(=O)=O)n(Cc2ccco2)c1C 610614712 AUWQRJZWAVASQA-UHFFFAOYSA-N 447.561 1.914 30 10 IDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(Cl)c1 730143380 AXZYLQPHCIVMOF-MRXNPFEDSA-N 442.969 1.994 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccc(C)n2)cn1 730143718 DBJFESVASLFPRM-GOSISDBHSA-N 443.577 1.806 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H](C)COC)c1 730144360 JVFNOVVYUJAQSG-QFBILLFUSA-N 430.574 1.950 30 10 IDEE C#CCOc1ccc(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 731112631 RJFHTICMCSFNDD-UHFFFAOYSA-N 444.293 1.745 30 10 IDEE C[C@@H](CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 749881430 MPHOAKSWNHJIDI-AWEZNQCLSA-N 438.550 1.925 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)n(C)c1 760401906 QFLCWGOJPJJQRW-UHFFFAOYSA-N 444.579 1.589 30 10 IDEE COc1ccc(CN2C(=O)C(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760550621 HXHQGTQBAQHTEQ-UHFFFAOYSA-N 434.456 1.032 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774582301 LLAIQAWLNYORQF-PMPSAXMXSA-N 436.509 1.529 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 916179701 QQQIMJBCZLYRSU-UHFFFAOYSA-N 447.538 1.993 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 918841031 PVBFWFMVHLTBCR-OAHLLOKOSA-N 437.518 1.181 30 10 IDEE COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)nn1 1125239072 UYSBOGQAFQXYRP-PYCFMQQDSA-N 434.522 1.770 30 10 IDEE COC(=O)c1ccc(C)c2c1CCCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1134910701 QVCUGLNNWQTANP-UHFFFAOYSA-N 427.482 1.800 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1139788094 KZJIWWWXNHBGJV-ROUUACIJSA-N 445.882 1.374 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)C1 1151355746 MQSDQNFNQMZOOJ-KMFGOTIKSA-N 440.566 1.313 30 10 IDEE CCOC(=O)c1cn(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1156469965 AMBIXHYACRZQCR-BXFSZVDSSA-N 445.520 1.963 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1171439799 PFAGPCMNBBJOEC-KBPBESRZSA-N 431.917 1.693 30 10 IDEE COC(=O)[C@]1(N2CCN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CC2)CCOC1 1174716155 QBDPFXYKTNHFIT-QFIPXVFZSA-N 448.951 1.845 30 10 IDEE CCCCc1ccc(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)cc1 1180988383 DMWYLQIVYQQOMV-INIZCTEOSA-N 435.484 1.600 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@H]1N1CCN(C)CC1 1210977798 HWCDQDVESVRXRI-KBXCAEBGSA-N 441.395 1.967 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 1221588624 LVLXQFHSLVIENF-OAHLLOKOSA-N 428.967 1.672 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)[C@H]1c1ccnn1C 1266809840 WRKJPKHAFDTFPM-QGTPRVQTSA-N 446.305 1.852 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286324933 RGXZVHMPJAUPAK-KSFYIVLOSA-N 428.537 1.790 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286350293 YRBQADFRTZQZQL-HZPDHXFCSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286392303 BGZMVXMPXPAOPA-ZWKOTPCHSA-N 432.546 1.827 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286406377 XNDSVDQCYXJMLZ-QGZVFWFLSA-N 427.530 1.308 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286411346 QGYIYMRBZNUAMK-DEOSSOPVSA-N 440.551 1.952 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1286436831 XHCKLCZIBDCULL-ZDUSSCGKSA-N 448.325 1.494 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1286442740 LFKZOAHNBVWRLU-HXUWFJFHSA-N 429.550 1.176 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOCC(F)(F)C(F)F)CC1 1286477133 OLPFRHNCBJBHLU-UHFFFAOYSA-N 427.406 1.407 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1286479589 HMOFOIPVTLMZAJ-ZCNNSNEGSA-N 430.597 1.425 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286508776 WANMCXHAAXTMCD-OAHLLOKOSA-N 425.605 1.624 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286612509 GMZPIAVWJMVKDZ-SFHVURJKSA-N 426.521 1.972 30 10 IDEE C=CCn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OCC)CCOC1 1286778061 XBKTVYUPIZWQOK-YWZLYKJASA-N 435.550 1.961 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286788060 PGCMWYRXQYZQEU-ROUUACIJSA-N 430.553 1.565 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCN(C)C2)C1 1286812998 VSSPNPBCPIBHHY-NZQKXSOJSA-N 427.549 1.748 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(NC(N)=O)cc2)cs1 1290434957 AULJKWWWVJNPIY-QGZVFWFLSA-N 438.517 1.902 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCN3CCC[C@@H]3CO)CC2)c1C#N 1290576544 GBJHUABKWXWATA-LJQANCHMSA-N 441.584 1.064 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 1293921268 XHSSGVDZXQMFSM-LJQANCHMSA-N 425.510 1.633 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1294879479 CQMICKABTOQRHY-GOSISDBHSA-N 438.492 1.556 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1298926851 FCXAXXWUICOIOS-CABCVRRESA-N 446.577 1.847 30 10 IDEE C#CCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300424443 HKFYBMWIQPZNGO-JOCHJYFZSA-N 443.527 1.988 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1300493473 UWYFJSLZXJFBQG-HOTGVXAUSA-N 433.559 1.160 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(C)CC2)CC1 1300726810 RJHFOJQTPWUXMR-KRWDZBQOSA-N 433.578 1.336 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1300763729 RLYZBQPUXAAZJZ-MSOLQXFVSA-N 448.618 1.893 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300777746 BTZNXAHGANOSQQ-FOIQADDNSA-N 432.550 1.311 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(CCOC)no1 1300886567 YWFMRCBPAKVSFJ-KHYOSLBOSA-N 445.524 1.419 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1300990942 JHUVMIKBEULOIR-QZTJIDSGSA-N 440.552 1.717 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301034056 OVXHFLZFZQHFJX-UHFFFAOYSA-N 431.928 1.574 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301059355 YAQNVFJLTRGHGS-PMPSAXMXSA-N 447.989 1.520 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1301536377 VNQVFFYIQPWQNL-MOPGFXCFSA-N 427.505 1.694 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCOCC2)CCOC1 1303490594 UYSHKRAZFLHBPR-JOCHJYFZSA-N 446.552 1.341 30 10 IDEE CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)c1C#N 1304148305 HBKIIJSMZWETTH-GFCCVEGCSA-N 426.502 1.361 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1305516228 XYZMFLAGIQCGKU-QGZVFWFLSA-N 441.536 1.285 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1306621534 YSDFPMTUHDTVOF-MSOLQXFVSA-N 437.504 1.810 30 10 IDEE Cc1c(C#N)c(=O)n(CCS(=O)(=O)c2cccc(Br)c2)c(=O)n1C1CC1 1307383333 CSNYDBWCMQLGPV-UHFFFAOYSA-N 438.303 1.761 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1312946133 MGBRNJWTAXOJLG-XMMPIXPASA-N 441.576 1.438 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1313916190 XILFVMYFESNRHU-XQBPLPMBSA-N 432.569 1.922 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1314484492 VRPVTYPGIZQCDW-IBGZPJMESA-N 444.561 1.858 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CC[C@@](F)(C#N)C1 1314629453 POMXVRKPFOEGBT-CSODHUTKSA-N 433.532 1.514 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CCO1 1315933322 FDMSIDBIFLSRDR-HXUWFJFHSA-N 440.548 1.779 30 10 IDEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2COCCO2)CC1 1316535867 FJSBGSDOLBHRHS-MRXNPFEDSA-N 430.534 1.815 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1353983893 RJFUONLYVMHWFD-INIZCTEOSA-N 438.506 1.118 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1358930597 YNDNRWJLECEIFD-KKSFZXQISA-N 432.521 1.831 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358961379 XOCUFVBSHPIEGW-QGZVFWFLSA-N 438.513 1.419 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358962862 YFVWPRQNPPSSPA-MANSERQUSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1358984504 YXHAWTFUXGFAID-QFIPXVFZSA-N 444.605 1.087 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CCC1 1359006946 OUJJMNMKFNEWMR-SSEXGKCCSA-N 448.618 1.999 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)s1 1359019458 VXFDTIUDAAZNDG-LBPRGKRZSA-N 431.971 1.738 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(F)(F)F)CC1 1359039979 CXJAVGUJTOAPGR-UHFFFAOYSA-N 440.470 1.822 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)COC)CC1 1359202349 QNYJBXARRONNQG-UHFFFAOYSA-N 430.509 1.657 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1359300100 UDOAZGLGRVZMPG-JKSUJKDBSA-N 428.493 1.612 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@]2(CC=CCC2)C1 1359300988 OGFAGVAKQCGFPB-LAUBAEHRSA-N 433.578 1.809 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O)S(C)(=O)=O 1359480817 CMKIYVXUTUKENF-WIEQDCTASA-N 444.561 1.553 30 10 IDEE Cc1nn(C)c(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1C#N 1437520126 BBPXSMGAHXAWEM-ZDUSSCGKSA-N 429.458 1.176 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2ncccc2C(N)=O)CC1 1442462544 ICZOVCBHINDBSI-UHFFFAOYSA-N 428.290 1.706 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(F)c(Br)ccc3[nH]2)CC1 1443359704 QOOWLXANMGYJMH-UHFFFAOYSA-N 435.297 1.967 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)[C@H](C)O)cc1 1470623971 RBYJWDIVXUGDEV-MGPUTAFESA-N 428.514 1.217 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@H]1C(=O)OC 1478477599 LLMKPIYZARMLKG-BHUNQDJPSA-N 430.461 1.247 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503694774 DBOCGTRLLLPBHX-UHFFFAOYSA-N 448.535 1.044 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1505018101 CYBALAQGGORKPE-WMZHIEFXSA-N 438.532 1.927 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1507519425 ZZLHNPMLYZTJEG-KBPBESRZSA-N 433.534 1.902 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)nn1C 1507526707 DXKOODVIIHSNTF-HNNXBMFYSA-N 426.550 1.786 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCCN(C)C)cc1 1507617748 ZLXVAEIUWSJBAW-IBGZPJMESA-N 445.589 1.433 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1507737960 DWVWXOLQFGXFPR-VQTJNVASSA-N 428.581 1.622 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507754423 XMXQYCHRMAANDU-OAHLLOKOSA-N 444.586 1.447 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507843326 LJOXJUHCUTVVHA-KRWDZBQOSA-N 433.557 1.406 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507966254 WNILXBILTYYXJG-INIZCTEOSA-N 444.561 1.673 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1508084594 OVERMJMFFFIOBA-UHFFFAOYSA-N 425.537 1.261 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1508085134 FTPIDLCMKDLJAZ-LJQANCHMSA-N 437.548 1.921 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)C1 1508109660 NCBOUHCIUOLOBN-IAGOWNOFSA-N 428.493 1.512 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508139524 BUKOKXIREHNTQD-KRWDZBQOSA-N 444.623 1.940 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508146727 BOGVVCJZGSHHOB-OAHLLOKOSA-N 429.550 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](OC)C2)nnc1[C@@]1(OCC)CCOC1 1508149416 UNWYADQLFPTQNL-VQIMIIECSA-N 428.555 1.146 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOC(F)(F)F 1510184439 ZAAFCMDOFNJYQC-GFCCVEGCSA-N 438.476 1.945 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCCNC(=O)C(C)C)CC2)c1C#N 1511663990 ULHBMOHYIIJLNF-UHFFFAOYSA-N 439.568 1.558 30 10 IDEE COc1cc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)ccc1C#N 1515265859 YRFRFARRDXLHJH-UHFFFAOYSA-N 429.498 1.659 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1521091243 ZPPQRQFMQZRDDG-NEPJUHHUSA-N 435.365 1.935 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4sccc4CC#N)CC3)C2=O)n(C)n1 1522239981 XCBMZKVPNQPTKL-KRWDZBQOSA-N 426.546 1.810 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1538380520 VLUKYWMTAKOZJO-UHFFFAOYSA-N 439.534 1.496 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539210828 GQQQIDYFZPKRJS-NLWGTHIKSA-N 443.573 1.892 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccccc2F)CC1 1539444122 GFRQLVOEHDMDQI-UHFFFAOYSA-N 436.495 1.003 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O 1539612853 RHXDVFVVBSQMIV-IAGOWNOFSA-N 439.582 1.366 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540867054 JBNVMRVMPLTDEF-UHFFFAOYSA-N 425.537 1.877 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)(C)C)CC1 1540867219 OLALSDSIPAVZJL-UHFFFAOYSA-N 426.521 1.897 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCCOC1 1540869597 RDIRCXKHPXJPEJ-HNNXBMFYSA-N 437.504 1.759 30 10 IDEE CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1546842088 GPBXSQBLMJORBY-JTSKRJEESA-N 438.536 1.374 30 10 IDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1547384757 FXYNRZCSWUBASR-UHFFFAOYSA-N 445.545 1.657 30 10 IDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NCCCOC 1548369311 XZSFVYZNGVGZIB-MRXNPFEDSA-N 427.427 1.560 30 10 IDEE COC1(C(F)(F)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1554676888 HNEVJBJADDHAPL-HNNXBMFYSA-N 440.495 1.970 30 10 IDEE COC[C@H](F)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555263117 QBMPTFBNIZOUMW-GDBMZVCRSA-N 428.472 1.086 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 1556817367 UTJLMWVGWHVPAF-TZIWHRDSSA-N 431.489 1.819 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(C4CCCC4)no3)CC2)C1=O 1557637886 XJDAYPUSKHDIDX-UHFFFAOYSA-N 429.477 1.485 30 10 IDEE C#CCN1CCC(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)CC1 1558065801 JXIPFRVUPSBFDA-OTWHNJEPSA-N 446.548 1.373 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1558329367 OLEVLBQDARDMQK-DLBZAZTESA-N 434.518 1.209 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1588054688 PLBXXQUDJZCLFW-QZTJIDSGSA-N 432.550 1.064 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1588059703 SPMVBCTWAHQXJQ-QGZVFWFLSA-N 425.518 1.096 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588070234 XMZIUPWPQRTZSP-WIYYLYMNSA-N 448.593 1.173 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1588214500 UQURRUIKHJQUBE-JOCHJYFZSA-N 437.573 1.406 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)Cc1ccccc1 1588245726 OZQNKHNOXBIJAD-UHFFFAOYSA-N 432.528 1.522 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1588482300 PYWZXDOVJYBFKT-FUHWJXTLSA-N 445.520 1.443 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)N2CCOCC2)CC1 1588871355 ADUXNMBWJLXCDR-NRFANRHFSA-N 438.576 1.641 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1593777910 GFKMQMJBHHKDTQ-UHFFFAOYSA-N 425.335 1.712 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1594783796 IXUFYXMLOUCPPN-NPPFBWRTSA-N 433.553 1.880 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1594829953 RDGFALGUTGWVFJ-JPLJXNOCSA-N 433.553 1.842 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)C1 1595745858 XUYQCXIJRDGNNL-YESZJQIVSA-N 447.561 1.591 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597169143 SJIYNRSXKWWUQM-OVZRNVPMSA-N 443.508 1.037 30 10 IDEE N#C[C@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CCCC1 1598148758 ORAOUSJQXAZBCU-KRWDZBQOSA-N 446.529 1.968 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(C1)OC(=O)Nc1ccc(F)cc12 1606642629 WGIRXPJAHIOAKT-LBPRGKRZSA-N 444.444 1.664 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1611633996 RQCXHARMTUAUHT-KRWDZBQOSA-N 428.562 1.948 30 10 IDEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)CC2 1613060543 XNALJAHEVRJWST-MRXNPFEDSA-N 431.537 1.818 30 10 IDEE N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@@H](O3)[C@H](N3CCN(c4ccccc4)CC3)[C@H]2O)c1 1616154451 RWVVXACOCYVAIY-CCSDVLNMSA-N 449.511 1.355 30 10 IDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1618435666 BIFZJXQCZHKBOG-QAPCUYQASA-N 441.433 1.989 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1620169242 JXBZBXCTSIJNMD-UHFFFAOYSA-N 441.561 1.160 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1627214565 KYTWBVQCFRGMLC-UHFFFAOYSA-N 441.553 1.075 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCSCC(=O)OC 1628445824 OFOAZBHILVDHGW-AWEZNQCLSA-N 427.548 1.306 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(F)(F)c3ccccc3C#N)cn2)CC1 1628592581 MAFYJRUHXBRBLC-UHFFFAOYSA-N 435.456 1.765 30 10 IDEE N#Cc1cn(CCC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c(=O)nc1O 1631467201 FKKBZUYVTUSMEL-UHFFFAOYSA-N 436.472 1.136 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 1631790495 ONDDLJSUHVYLOV-UHFFFAOYSA-N 439.415 1.985 30 10 IDEE C[C@H](O)c1cn(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)nn1 1632463007 AMGVRYMTFHGLQA-DNMKQRRRSA-N 430.509 1.502 30 10 IDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C#Cc1ccc2c(c1)OCO2 1634479845 QABARWFUQJANRS-UHFFFAOYSA-N 428.466 1.649 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)s1 1635873259 CTDRXARUDGJPIJ-ZDUSSCGKSA-N 429.564 1.881 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(C(=O)OC)ccc(OC)c3C2)c1 1637234676 HJEJVPVXCLSLTH-UHFFFAOYSA-N 442.493 1.592 30 10 IDEE N#Cc1cn(C2CN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)C2)c(=O)nc1O 1637506361 VOLCHDYWPOUXHW-UHFFFAOYSA-N 443.872 1.502 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4cnccc4C#N)CC3)C2)cc1 1637768663 DLSUIIYGMOZEDB-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE Cn1c(SCC#CCN2C(=O)c3ccccc3C2=O)nc2cc(S(N)(=O)=O)ccc21 1640689124 BESQJBQXRCVUKQ-UHFFFAOYSA-N 440.506 1.612 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1643599214 ICOPHNYCQFIZEY-SZNDQCEHSA-N 447.488 1.655 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 1650846347 SSFHXINBADGJCV-UHFFFAOYSA-N 431.436 1.229 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)C1 1671459715 WDUMRRPOKPFTIA-MRXNPFEDSA-N 428.514 1.718 30 10 IDEE Cc1csc(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1C#N 1671656051 ASNRWZWEGHSHIW-UHFFFAOYSA-N 434.499 1.894 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689986220 LDZCFJIPEAAPJG-BJLQDIEVSA-N 445.589 1.971 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1690013647 XUZPVDTVDGNYRK-QGZVFWFLSA-N 434.500 1.409 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1690076771 AKAUYRPDAXNRRL-JKSUJKDBSA-N 445.536 1.896 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCCO)CC1 1690117321 CVGRAPMCDKFBDM-UHFFFAOYSA-N 435.536 1.229 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)NC(C)C)CC1 1690129102 PUUIDFQMCZSOKI-UHFFFAOYSA-N 444.605 1.260 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)NC)C1 1690179093 MFNBYGNCRWDYAW-KRWDZBQOSA-N 437.573 1.845 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(N)=O)CC1 1690420009 IFRGSPRELHJDJP-CQSZACIVSA-N 426.587 1.582 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1690485135 MFWMQSIHDOQBAR-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1690670074 YEKBIJHPQGNAIL-YJBOKZPZSA-N 426.521 1.695 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNS(C)(=O)=O)C1 1690710317 QQVQKPFSHVFVLH-SFHVURJKSA-N 444.561 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690726475 BKBJMCRDXHBOFG-RTBURBONSA-N 431.562 1.870 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690733462 FRCAKIJZHYOZNJ-FQEVSTJZSA-N 427.534 1.704 30 10 IDEE CCNC(=O)C1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1695923606 HJOONSKUPHTUOV-VGSWGCGISA-N 446.552 1.354 30 10 IDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1696495819 GXKYUEIHVGQUMP-UHFFFAOYSA-N 445.593 1.500 30 10 IDEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705510866 AITIAJPHURTORK-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705566968 SPTMESAVFNFHGB-MRXNPFEDSA-N 430.534 1.179 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1705612271 DDNWONGNCCGFOS-GOSISDBHSA-N 449.581 1.056 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1705632073 HJSPHJAJWWQSIX-KRWDZBQOSA-N 442.530 1.984 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N(C)C)CC1 1705650402 QSOHLXZAVAXFDN-UHFFFAOYSA-N 440.523 1.452 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1705674794 RDXMXXHCRIZYAS-GHTZIAJQSA-N 445.545 1.357 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1705834432 KPZJIBUUEUODGA-SJORKVTESA-N 432.594 1.957 30 10 IDEE CN(CCC1CCOCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1711190151 XUUVSQGKOSEHPK-IDYLYPCZSA-N 444.536 1.909 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1711982824 SKNKYZUCGBVCIW-SFHVURJKSA-N 447.561 1.821 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1712091397 HOKDGCCRRITBBA-YKTARERQSA-N 440.570 1.070 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1722296925 WBEMYJZEHJOWEN-FRQCXROJSA-N 445.545 1.673 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCn2cncn2)c1 1722305346 PJXFWFKTPQASQN-UHFFFAOYSA-N 427.472 1.688 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1722349650 WBWDDHYQZWVETD-UHFFFAOYSA-N 430.559 1.265 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCOC2=O)CC1 1722440879 LMTRQMKBFSHTMP-UHFFFAOYSA-N 438.532 1.497 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722462938 UOSNTATZEKAJPQ-SFHVURJKSA-N 447.605 1.789 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722534736 QNCVEFMYCJFHQN-SFHVURJKSA-N 440.552 1.910 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1722711970 KMDVPOZZBLBGKJ-QZTJIDSGSA-N 432.550 1.545 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NC2CCCCC2)C1 1722720242 IZEPIHHNVONHPP-GOSISDBHSA-N 430.553 1.631 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCS(C)(=O)=O 1722865276 GLEVQJDCCMRHQS-OAHLLOKOSA-N 449.533 1.373 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1723645604 BTGIORQAIBJYOV-SFHVURJKSA-N 444.561 1.745 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1723867730 BQEUOBLCQCHCHN-DXIQSLLYSA-N 432.569 1.779 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CCO1 1729687707 AAEZDIISRHCHFD-HXUWFJFHSA-N 447.499 1.318 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C 1730784524 BPKQZXKCOYXDTB-SBUREZEXSA-N 437.548 1.452 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1730918957 KCRBOVGNBYFKIV-MBSDFSHPSA-N 438.532 1.784 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1730998178 DVHSXSJEBJARKB-MOPGFXCFSA-N 445.545 1.636 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1740538179 DKPIELMEUYBTQQ-OAHLLOKOSA-N 431.518 1.649 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1740639458 BWPHYHOINWVZQM-INIZCTEOSA-N 449.483 1.340 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740739593 WKEGGZBJMZSGTJ-CHWSQXEVSA-N 429.319 1.125 30 10 IDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740947077 NSZRBHXXWBXHOV-IRXDYDNUSA-N 425.555 1.337 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1740955892 HUEGVKUGVSMSCL-KRWDZBQOSA-N 425.537 1.775 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1740958380 OEZBEVMYIJFOMO-KRWDZBQOSA-N 447.561 1.514 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)C1 1740985082 BCGHGDNCPRSZKO-CQSZACIVSA-N 436.563 1.468 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1740993712 CNHXLPOEXSYPAV-FQEVSTJZSA-N 445.589 1.185 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740995458 MQJBNTRCGKCVPM-OAHLLOKOSA-N 427.596 1.447 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1748667697 YKGSITYILLMSDQ-KFKAGJAMSA-N 436.516 1.853 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748812369 UHXZKNQKDKNFIX-VGSWGCGISA-N 443.573 1.908 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1748848335 BMFUYKJHEYTUKI-KRWDZBQOSA-N 441.482 1.715 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1749044101 NKHPWXVWTOKAQO-LJQANCHMSA-N 431.610 1.663 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1749064631 DLTBVWVSMBRTNB-GAJHUEQPSA-N 439.516 1.649 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1749119025 MKRICOAPBJYZOU-TWMKSMIVSA-N 441.598 1.873 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1749187439 JREOXYXEYTYLNS-QGZVFWFLSA-N 432.550 1.528 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)C1 1749696172 ANHJNFCSUCFOOS-QINHECLXSA-N 441.598 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 1749734991 PBQRQSLUHPCMQH-HZPDHXFCSA-N 444.623 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)CC1 1749739910 NCKGFXUUJVGIMI-UHFFFAOYSA-N 442.538 1.166 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1750387094 RALPUJAUQZLLTF-YQVWRLOYSA-N 442.495 1.384 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760200545 MWGAUPNRCABXHX-UHFFFAOYSA-N 445.527 1.976 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)OC(C)(C)C 1760207392 HHFHZCSASCBYNP-UHFFFAOYSA-N 442.545 1.867 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1760210686 VMGGGAQZPINVOR-QGZVFWFLSA-N 428.562 1.466 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1760275988 QEGWYYZZWVFBFP-UHFFFAOYSA-N 444.517 1.515 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1760515581 DZYSDKQQNQRZEV-ICSRJNTNSA-N 426.565 1.949 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1766187031 IJFCKIPURZLKOJ-IBGZPJMESA-N 448.535 1.636 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCC[C@H]1C 1767941488 DDUJDTUVJORUMX-VGSWGCGISA-N 425.537 1.959 30 10 IDEE COC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1767950633 LQZYZVVHVQANEK-ISLYRVAYSA-N 445.524 1.282 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC[C@H]1C 1769086134 ONFNRNJZPDPHMW-APWZRJJASA-N 444.561 1.713 30 10 IDEE Cn1nncc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1769086966 GDODENKZSIRUTP-LJQANCHMSA-N 443.874 1.480 30 10 IDEE CNC(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1769329105 HXUCHRUPGIZYMM-UHFFFAOYSA-N 444.565 1.504 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)C[C@H]1O 1769452118 MWFALNPFRXJZPX-VQIMIIECSA-N 436.447 1.759 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1F 1770633266 LNCRQWHKCJYWHB-KYJSFNMBSA-N 432.525 1.892 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1 1770738925 STLFLEDQLVQLAL-RXVVDRJESA-N 426.452 1.976 30 10 IDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1c(F)cccc1F)C(C)C)[C@H]1CCN(C)C1=O 1849208126 NVJJOWYTJRJZCB-JKSUJKDBSA-N 429.489 1.513 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 1849315194 UTRNGENBHABCJI-HNNXBMFYSA-N 444.488 1.783 30 10 IDEE CCCn1c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc2c(=O)n3ccccc3nc21 1849798725 BRXIYFMRSJHFIY-UHFFFAOYSA-N 442.483 1.682 30 10 IDEE O=C(NCC#CCN1CCOCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1850333811 HHDQDLCKYOZDOQ-OAHLLOKOSA-N 445.994 1.397 30 10 IDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1851774589 RGYKLWMIAPENBW-CHWSQXEVSA-N 425.942 1.825 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2nccc(Cl)c2F)C1=O 1857147049 LZAAOZNDIFVXTB-CQSZACIVSA-N 429.843 1.097 30 10 IDEE CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)CCO 1870324621 SHDQSPUJJQEZRT-UHFFFAOYSA-N 430.530 1.732 30 10 IDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(CO)CC2)cc1=O 1870385405 WACRVQVFZDLXEH-UHFFFAOYSA-N 447.557 1.313 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCNC(C)=O 1870538691 IYMSXYLQJDOXEF-UHFFFAOYSA-N 442.516 1.447 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN(C)CCO 1870697294 ZGGOUJWPJPAZTE-UHFFFAOYSA-N 446.460 1.393 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCC(CO)CC3)ncnc21 1873561027 RLSNPPZNBMPKDZ-UHFFFAOYSA-N 431.537 1.561 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(OC)c1 1874338260 URICUOQJSHLKMU-SLSPDHCBSA-N 447.517 1.864 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)CC1 1890308270 OEVQHCXWVRGXCC-UHFFFAOYSA-N 443.588 1.895 30 10 IDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 1891108597 LBCADKZYUACMOF-UHFFFAOYSA-N 439.497 1.225 30 10 IDEE C=CC1(N[C@@](CNC(=O)OC(C)(C)C)(COC)C(=O)O)CN(C(=O)OC(C)(C)C)C1 1904535930 HWIWOWHDSRUXBM-FQEVSTJZSA-N 429.514 1.746 30 10 IDEE CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)[C@@](C)(C#N)Cn1cc(Br)cn1 2075137075 VBNFOMDRHVBNCQ-LIRRHRJNSA-N 446.305 1.517 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2225622240 IQTHPOXHANWLLC-CEXWTWQISA-N 448.369 1.417 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@@H]2C1 2248433267 HVQJYSSIIVKZLU-ZSBIGDGJSA-N 436.343 1.311 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255697149 FEHJOVFAPUITIP-GOSISDBHSA-N 427.232 1.664 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)nn1 2258959641 UPUDWMMKROWFNQ-UHFFFAOYSA-N 433.318 1.558 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nc1B1OC(C)(C)C(C)(C)O1 2267184363 UPFHXRHIRUYEPO-AWEZNQCLSA-N 445.329 1.304 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)[C@H]2C1 2267194417 OYKCJPQVNDBYSZ-YCPHGPKFSA-N 448.325 1.943 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267271114 PZUJQDOKTPVKDJ-IRXDYDNUSA-N 447.341 1.745 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267281072 SORXJHFXAQGHSE-GASCZTMLSA-N 444.341 2.000 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267536130 HADKPKDVDOBUCR-RRFJBIMHSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267802666 ANDMFRDAOXKVEL-UHFFFAOYSA-N 448.325 1.403 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2272649729 DLEWBVCKEMPPHO-ZSEKCTLFSA-N 447.345 1.101 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(=O)OC)cc1 2330742540 KGQDRXOIFFBXPN-UHFFFAOYSA-N 432.506 1.201 30 10 IDEE COc1nc(NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786769 RCJBOGNSNQBEQH-UHFFFAOYSA-N 448.329 1.276 30 10 IDEE COc1[nH]c(=N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339788775 UVEVJKQTIKOPSY-ZBFHGGJFSA-N 449.357 1.763 30 10 IDEE C=CCn1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nnc1-c1cccc(OC)c1 59807883 LTYURAVSSVIUTL-UHFFFAOYSA-N 439.501 1.575 30 10 IDEE CN(C)C1CCN(C(=O)C2=NO[C@@]3(CCN(S(=O)(=O)c4ccc(C#N)cc4)C3)C2)CC1 96074523 KRYZWKRGZQOAJS-NRFANRHFSA-N 445.545 1.020 30 10 IDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1F 102741922 UGBONJWOVWSRGF-GOBJLOIFSA-N 441.459 1.983 30 10 IDEE CCN[C@@H](C#N)CCn1cnc(I)c1I 308791184 CUGQEZRFITTZHS-SSDOTTSWSA-N 430.031 1.984 30 10 IDEE CO[C@@H](C)c1noc(CN2CCCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)n1 428357719 ARADUAVJGQYHDP-INIZCTEOSA-N 428.493 1.945 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CCC1 430988178 MVUQCKZMROVNET-UHFFFAOYSA-N 437.550 1.687 30 10 IDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443331456 VQYHFZPKGVTMIZ-UHFFFAOYSA-N 436.534 1.720 30 10 IDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443332521 NOFRGHLJPBIENV-UHFFFAOYSA-N 448.545 1.315 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C#N)cn3C)CC2)cc1OC 471571925 FUPQMGZZHVUKCD-UHFFFAOYSA-N 432.502 1.497 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cn(C)nc3OC)nnc12 476564014 FPLXGCLOMUDNJJ-UHFFFAOYSA-N 425.474 1.703 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)nnc1-c1ccco1 481521816 PBEFLRACXTYDOW-AWEZNQCLSA-N 446.533 1.060 30 10 IDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCC1 486640305 SEXOZWBFBRXVNB-UHFFFAOYSA-N 435.532 1.695 30 10 IDEE COC(=O)c1cc2c(cc1NC(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)OCO2 487021458 SLQFYUARCZZXIL-UHFFFAOYSA-N 426.433 1.470 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)ccc1F 488939762 HZTCCTRJPYPRCX-SFHVURJKSA-N 436.896 1.884 30 10 IDEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1ccnn1C 489886638 MQCVANBBCDQZOD-NRFANRHFSA-N 428.512 1.417 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1 490651086 MCHNDEUZNQWYGP-UHFFFAOYSA-N 445.545 1.982 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 508478910 VCCWXAFXQMTNSI-INIZCTEOSA-N 433.534 1.593 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508870680 BCMBWRWQJCKTCW-SFHVURJKSA-N 439.516 1.978 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 508877092 ZVPABAPJQUJJJK-UHFFFAOYSA-N 435.492 1.627 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1C#N 514428967 VTAXTEOFJONKSM-KBXCAEBGSA-N 426.525 1.494 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)CC1 531524736 ZGKNHPAEWONLCS-LJQANCHMSA-N 430.549 1.540 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 537291882 YOROCMGYOJFYNU-HLAWJBBLSA-N 427.524 1.525 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)c1 553804842 SWDGMTWMSHORHN-UHFFFAOYSA-N 448.548 1.947 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 555242731 XAMBJWFTSNKEDQ-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 555263087 FPUIURKNMLBTLH-SJORKVTESA-N 448.549 1.240 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCCO2)CC1 555502944 ROGUYGUJFFOJSM-GOSISDBHSA-N 427.553 1.277 30 10 IDEE C=CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 558419991 ZLDPACQLRYQYEK-HOCLYGCPSA-N 425.507 1.319 30 10 IDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 585088850 BMVGNERTZJRFKB-HXUWFJFHSA-N 449.509 1.380 30 10 IDEE N#C[C@H]1CN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 732626291 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1.652 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2=O)n1 788368099 YTIOVVUXEOIDJQ-LJQANCHMSA-N 446.552 1.279 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 788936404 OESLWERCUUOBJJ-LJQANCHMSA-N 427.549 1.347 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 791209838 OUDLLTSUNDVRCQ-QGZVFWFLSA-N 444.488 1.172 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796710259 NRIWYGYUKPWIEV-LPHOPBHVSA-N 443.529 1.793 30 10 IDEE C#CCN1CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CC1 810214353 WCOROOVTARHDMN-IYDISJPVSA-N 429.520 1.243 30 10 IDEE COc1cc(CNC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)ccc1C#N 811937214 VYDUSCKYFMGJPA-UHFFFAOYSA-N 443.529 1.970 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)C1 916887759 YLKLPUIDNQODRX-QZTJIDSGSA-N 444.513 1.717 30 10 IDEE NC(=S)NN=Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 1083939948 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IVUAHOVQHIMQFO-INIZCTEOSA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286793011 OROHUTMPHVDSIV-SJORKVTESA-N 429.521 1.765 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286837671 YXRSRMHKYWPDTQ-QGZVFWFLSA-N 436.582 1.623 30 10 IDEE C[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1291116433 MTTOHKCBKRYSLI-PLGXQAJASA-N 427.509 1.382 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O 1293227804 IRYHJPSMDFXRNT-GOSISDBHSA-N 444.561 1.746 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1294694961 WSYFWFVCJGAHRQ-WOJBJXKFSA-N 442.612 1.857 30 10 IDEE CN(C)CCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1298097125 SKELXCGLVHXBNT-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCN(O)C3=O)c2)cc1 1298425551 JMUVNFSVWLMQLG-SFHVURJKSA-N 433.486 1.914 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN=S1(=O)CCCC1 1300100540 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439.479 1.806 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1359023350 HYNWNOYVQJSQBL-GOSISDBHSA-N 449.559 1.762 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccc(OC)cc2)CC1 1359028363 PMPKXZWNHBBYQD-UHFFFAOYSA-N 440.548 1.649 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359043031 DKWZUBQLFHSDJL-QGZVFWFLSA-N 441.557 1.346 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359054344 RQTOEKOWINVTTN-UHFFFAOYSA-N 427.578 1.384 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1359122102 XUXJMEFDLBABRW-INIZCTEOSA-N 426.587 1.108 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1359126073 DTZZMZKQOGBILK-MRXNPFEDSA-N 437.508 1.988 30 10 IDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1359228474 DVCUAYYJNPEUFT-UHFFFAOYSA-N 440.595 1.308 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359315275 RCQVKFCQTHDKOY-ROUUACIJSA-N 435.488 1.586 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)CC2)c1C#N 1447774635 BYTMQSKIBQMCBR-AWEZNQCLSA-N 426.468 1.797 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccnc2OCc2ccccc2)CC1 1475995202 QAQRIGLIJKITAL-UHFFFAOYSA-N 429.502 1.278 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCc4ccc(C#N)s4)CC3)C2=O)n(C)n1 1478848952 QEIBDJMMOZEBPL-GOSISDBHSA-N 441.561 1.685 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1494477411 HADJZRDARABMJX-NUJGCVRESA-N 445.545 1.777 30 10 IDEE CCc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498988744 WZTPVCHSUARAGC-PANRORFQSA-N 440.479 1.604 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(CC(F)F)CC3)n2Cc2ccc(C#N)o2)CCOC1 1502722085 KTEXKBGZCXYXPK-HXUWFJFHSA-N 436.463 1.830 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N[C@H](C)CC 1503108723 KDVVUAIGBVBOKH-QGZVFWFLSA-N 440.552 1.713 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)nn1C 1504873605 HWXBMTPOYFSLRD-FQEVSTJZSA-N 448.531 1.844 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507544914 FWOMMYXUJBXEPS-DLBZAZTESA-N 447.561 1.605 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCSCC2)CC1 1507724421 OWFNSCFOOXBULI-UHFFFAOYSA-N 428.581 1.812 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1507804211 FAJHTBUJIVHVOP-QKLQHJQFSA-N 430.553 1.344 30 10 IDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1507845728 OEGABSPRIXICCC-UHFFFAOYSA-N 425.541 1.834 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(OC)c2)CC1 1508083723 AZLPHFGIDAQLTO-UHFFFAOYSA-N 447.543 1.901 30 10 IDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)CCCNC(=O)OC(C)(C)C 1513939383 YAPUUTQRJIFAHV-KRWDZBQOSA-N 435.573 1.806 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516869242 YWZSNQHJAYNEHQ-OKXSDPAFSA-N 443.533 1.798 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1519162312 DGBGMUVDPPUOIT-KSZLIROESA-N 447.584 1.483 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1519428184 KTEFSSRIRVMIOD-YZVOILCLSA-N 441.529 1.269 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1538977569 WWIGQJOAATWYNK-AOMKIAJQSA-N 427.505 1.301 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539223074 ZCEOJTWSWSSLNE-QRVBRYPASA-N 435.594 1.283 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1539343595 NBXNMPVWRYHVRC-QGZVFWFLSA-N 441.561 1.641 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(S(C)(=O)=O)cc1 1539361706 BQFBCDURWWECDG-UHFFFAOYSA-N 441.513 1.917 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2sc(C)nc2C)CC1 1539459352 FOHYFOOVIXDJJG-UHFFFAOYSA-N 427.578 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSC(C)C)CC1 1539467551 UWZZTKWYHXOUFU-UHFFFAOYSA-N 432.594 1.622 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)c1ccccc1 1539765865 LCENEPZMGSTTDG-JQHSSLGASA-N 444.561 1.317 30 10 IDEE Cn1cc(N2C[C@H](C(=O)Oc3ccc(C#N)cc3I)CC2=O)cn1 1540189579 FECSHKAXQDMVBI-LLVKDONJSA-N 436.209 1.855 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540866046 BAINHDIGMKKPRD-BLLLJJGKSA-N 432.887 1.755 30 10 IDEE Cc1ccccc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542710280 VXSDPWZNXNHZHP-UMIVRTMYSA-N 449.515 1.447 30 10 IDEE C=C[C@H](O)C(=O)NCCNS(=O)(=O)c1cc(Br)ccc1Br 1542880221 WZMZLDHBNDMOPD-JTQLQIEISA-N 442.129 1.153 30 10 IDEE C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OCCc2ccccc21 1543121748 NRAUTAAAIPFLIV-JOCHJYFZSA-N 425.510 1.879 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1555556760 HJEBEDLYKUYXDI-MRXNPFEDSA-N 447.540 1.463 30 10 IDEE CN(C)CC#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 1557899985 YFKWYHGUGLYMQQ-UHFFFAOYSA-N 427.486 1.364 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@H]2CCCC23OCCO3)nn(-c2ccc(F)cc2)c1N 1565249988 RUHHEJACMLTOKY-SFHVURJKSA-N 428.468 1.993 30 10 IDEE C=CC[C@H]1N(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCC1(C)C 1568330028 LXCXDLVBUBNGID-QGZVFWFLSA-N 428.576 1.962 30 10 IDEE Cc1c(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1[N+](=O)[O-] 1585138176 DQNOWNCDJCWAJG-NHYWBVRUSA-N 428.264 1.676 30 10 IDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1587501291 SUZXEAIXSRBPCS-MJGOQNOKSA-N 444.582 1.997 30 10 IDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1587999068 PGOQYFVSVAJKHY-RTBURBONSA-N 428.562 1.538 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1588029454 IERFGGOLJYCNEE-LJQANCHMSA-N 443.573 1.631 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)C1CC1 1588646318 ISNJTIKRTPLCRZ-QHCPKHFHSA-N 439.564 1.699 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCCCCC2)CC1 1588848873 PJSRWEMGVKATPY-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCC[C@@H](C)C2)CC1 1588954265 CJYQEKZEIOWEAD-HXUWFJFHSA-N 449.603 1.962 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589047890 MTXFKUWLSFVXFQ-UHFFFAOYSA-N 448.618 1.957 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589513780 BRBIDWHBRAHROJ-VQIMIIECSA-N 448.593 1.783 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1593763979 SWKSFXWEFGIWNQ-MOPGFXCFSA-N 427.553 1.980 30 10 IDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1594807091 DHYXHHIPCHUYQR-UHFFFAOYSA-N 436.520 1.828 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCSC2)C1 1595664603 HSILHXKGZLKRAC-DYESRHJHSA-N 434.610 1.733 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 1595971936 FFZUEDLKHOLLGZ-SFHVURJKSA-N 428.514 1.034 30 10 IDEE C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1611601870 ALFRPSRCAAXAFQ-LLVKDONJSA-N 433.262 1.608 30 10 IDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1615535696 LHIXWTKOBAJQSR-HNNXBMFYSA-N 427.489 1.346 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)ccc1F 1616746888 AQFJUIQGJCUWMV-SUVVTNLASA-N 426.510 1.992 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)n1 1618759721 UFEWISWHCJMJEP-GOSISDBHSA-N 431.537 1.628 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(F)cn1 1619912227 VWPOWPBCRBIDIG-UHFFFAOYSA-N 427.440 1.955 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)NC(=O)OC(C)(C)C 1620311043 XTYUQVIBUGNASG-CQSZACIVSA-N 425.493 1.666 30 10 IDEE Cn1cc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)cn1 1621514290 IGJSPFOKDVZKCQ-PSCUFVCCSA-N 428.537 1.856 30 10 IDEE C=CCN(CC(=O)OCC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1621708832 VUCUSYSHPCZEDP-QZTJIDSGSA-N 440.518 1.403 30 10 IDEE CCS(=O)(=O)NC1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1625599104 HTYYYHGNHODPRE-UHFFFAOYSA-N 436.383 1.838 30 10 IDEE C[C@H](CC(=O)N[C@@H](c1cccnc1)C(C)(C)CO)/N=C1/NS(=O)(=O)c2ccccc21 1627638058 GTNBXXIPSMYSCB-KUHUBIRLSA-N 430.530 1.775 30 10 IDEE C=C1CN(C(=O)[C@@H](CCSC)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 1629145532 STXUPUUWSOKJDT-MRXNPFEDSA-N 445.994 1.840 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(OCCC)c(OC)c2)CC1 1632960877 OQFVZHNLHFXAJK-UHFFFAOYSA-N 429.926 1.363 30 10 IDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1634595617 GEXCCGQSHVOZQG-QGZVFWFLSA-N 436.534 1.598 30 10 IDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)COC1 1635701033 IJNOECJXZJYQED-QGZVFWFLSA-N 428.489 1.459 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H]1C 1637475020 IRLQHSLUKBSXHQ-AWEZNQCLSA-N 449.349 1.853 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1645085005 IJBPPIXSLZJSMN-GOSISDBHSA-N 443.529 1.595 30 10 IDEE COc1c(F)cc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 1652332467 XQCRRIAKQIQQEA-OAHLLOKOSA-N 447.492 1.394 30 10 IDEE C#CCn1ccc(CN(CC)CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)n1 1654342316 RKHGBLZCABSSPP-UHFFFAOYSA-N 431.518 1.622 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](C(=O)OC)[C@H]2CCOC2)cc1 1658320828 NZLMHSBTTJXPAY-YOEHRIQHSA-N 425.507 1.440 30 10 IDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1659332871 BHGDFIVWEUIJNJ-HXUWFJFHSA-N 443.525 1.982 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1669742033 GVQIJBITQRPYPW-UHFFFAOYSA-N 430.505 1.873 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)CC1 1670768890 BAPNRFAPVYYLFQ-UHFFFAOYSA-N 442.954 1.419 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)CC1 1673787159 ZGWHFPBMYCHVPD-KRWDZBQOSA-N 436.534 1.170 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1689889105 YTXTYDDSMWGXAR-GOSISDBHSA-N 435.536 1.273 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689982414 MVGWIELUCGGKRM-LJQANCHMSA-N 442.541 1.927 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689991772 CEDVYMLNDPXXCR-PGRDOPGGSA-N 446.548 1.796 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1690043640 IKPSYQHUGJMSEQ-LJQANCHMSA-N 426.565 1.582 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(C)C)N1CCOCC1 1690073854 IUCFYBVETFYHLI-SFHVURJKSA-N 428.537 1.822 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690299394 QALCMWRPMRITIT-HXUWFJFHSA-N 447.628 1.614 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690306254 QGKQFLMNKLZKJQ-IAGOWNOFSA-N 444.488 1.627 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1)c1ccccc1 1690321975 PXMGMIKWXBADBK-UTKZUKDTSA-N 447.561 1.597 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1690627714 VAHKRQVRQHISGV-HOCLYGCPSA-N 436.582 1.207 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1C(C)(C)C 1690678168 NIAXRYTXKZPTAQ-UHFFFAOYSA-N 425.537 1.303 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCOC1 1690717930 VNAAVVUSHMPUPA-ZDUSSCGKSA-N 444.355 1.862 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CC1 1697707637 DDNMIDQACVYOHD-UHFFFAOYSA-N 426.521 1.664 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1705571672 FIVVSKMQBPZLIW-LJQANCHMSA-N 437.610 1.563 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1705589674 UUGHWYPBGXQFJG-KRWDZBQOSA-N 442.545 1.380 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CC)CC1 1705635272 VJCWOQZQYLEXMM-REWPJTCUSA-N 430.597 1.558 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(CC)nn(C)c2OC)CC1 1705638732 VPDNGTOABZBGPT-UHFFFAOYSA-N 434.548 1.757 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](CC)OC)CC1 1705638899 AWOOUYZDMVRYFR-FQEVSTJZSA-N 438.580 1.632 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705791946 IVXQMWHJHGPPDZ-QRWLVFNGSA-N 437.566 1.813 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705909296 SOIVEROPDUQACV-MBOZVWFJSA-N 444.580 1.700 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1705930324 KVHYLWUCMAJPGH-UHFFFAOYSA-N 437.591 1.956 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1706556714 AZNRLZONLBCVGO-SFHVURJKSA-N 438.536 1.283 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1709938281 LRTYJANIYQWICP-MOPGFXCFSA-N 445.545 1.636 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1 1722302180 PWSHGXCUFKNWRM-HXUWFJFHSA-N 432.576 1.883 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722333680 XSIXNTJMCGUYDJ-GPMSIDNRSA-N 426.473 1.564 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC=C 1722475241 SGYQDHBJTQPPTB-VQIMIIECSA-N 439.607 1.522 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722604183 VKXAUIVZRNEQEU-OALUTQOASA-N 448.593 1.947 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCNC(=O)CC1 1722693924 FOTAXUAPYBYXSL-UHFFFAOYSA-N 428.562 1.904 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@H]1CC 1729168479 PYDFSPOWYNJKRM-HXUWFJFHSA-N 449.563 1.931 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1730414934 QHMHAGZKAAJZTL-YZVOILCLSA-N 433.459 1.927 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1730891547 RCWZIFDWIFHMEX-VQTJNVASSA-N 427.505 1.864 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCO[C@H]2C)c1 1740562472 KEHNYHIICMQFCP-QMHKHESXSA-N 449.515 1.275 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1 1740632761 OKLTURJZFOMPGS-UHFFFAOYSA-N 436.545 1.401 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1740655889 GAJCANOMRVWVKB-HSALFYBXSA-N 431.606 1.764 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@]2(O)CCOC2)n1 1740688856 KQEJXWVRTFNJLP-JOCHJYFZSA-N 428.537 1.570 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](F)COC)CC1 1740706919 IMWVDSXQSVGKRG-GOSISDBHSA-N 431.487 1.958 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740747203 BMVARBQIPPBYNV-GJZGRUSLSA-N 434.342 1.763 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740791430 GYFWWNQSIPHSOZ-UHFFFAOYSA-N 427.553 1.610 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740953214 YSURVYIVCDUJDU-IAGYGMIVSA-N 437.541 1.077 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740953554 JUHIGHLICXPNDG-UHFFFAOYSA-N 448.531 1.681 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740955631 AMPJWYYTXKVKFS-UHFFFAOYSA-N 445.527 1.913 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740956288 OGUQIWZQROYGNM-CQSZACIVSA-N 429.912 1.457 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740960232 NTCKRDYRLNJLIS-KRWDZBQOSA-N 442.520 1.256 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(=O)N(C)C)CCCC2)C1 1740983364 GWRZHJXYDHPASC-GOSISDBHSA-N 444.580 1.830 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1741001245 OUHXRZFHQWKDNO-SJORKVTESA-N 447.609 1.731 30 10 IDEE CCSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1747515611 VMQWNJJSRAICTB-CABCVRRESA-N 430.600 1.350 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1748638209 KSUCHGWQJBEBMD-MRXNPFEDSA-N 449.490 1.881 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749456711 KNJYZTBGGLGDNY-ZWKOTPCHSA-N 446.552 1.531 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749724541 KZFDYEIRKBIKIV-UHFFFAOYSA-N 447.561 1.896 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CCO1 1750017973 ZXDGWYXJMANCNO-IBGZPJMESA-N 426.521 1.973 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCS(=O)(=O)C1 1750467567 HKOFFMMIULBRNU-AWEZNQCLSA-N 444.561 1.836 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@H]1COCCO1 1760176739 SBNLDIQRJLEVJX-QFIPXVFZSA-N 438.576 1.518 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760189032 FVOICWPQACXNRY-GOSISDBHSA-N 446.548 1.940 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760348572 CPJNMTXGGUDSAW-WOJBJXKFSA-N 446.596 1.654 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C#N)CC1 1760517756 XDRKVGQZMWNRLB-UHFFFAOYSA-N 442.545 1.781 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@H](CN2CCOCC2)C1 1760548850 RDLOIKHGNAEBAT-QZTJIDSGSA-N 425.599 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc2c(c1)OCO2 1760553906 LLNHNOFBQYWMRY-UHFFFAOYSA-N 442.501 1.701 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1763267677 NHGQPUCRMXVVFB-MGPUTAFESA-N 433.534 1.228 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1764187138 FICWTYQKHRISQS-OAHLLOKOSA-N 440.570 1.139 30 10 IDEE CCCN1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1764425932 FILSGXGOUGLXBQ-LJQANCHMSA-N 437.548 1.787 30 10 IDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1768775180 CHRYDCOQORNOBL-NVXWUHKLSA-N 432.550 1.974 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1768808031 PUJCZJOYGIEBTJ-WXVFVKJXSA-N 447.499 1.816 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1769199638 GWJWMLHPVFQHEW-LJQANCHMSA-N 438.532 1.711 30 10 IDEE COC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770911569 AOJWBQPVWCYNMI-JXPGLKHUSA-N 430.509 1.519 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1771368879 LGXBIQXDONKXQX-GOSISDBHSA-N 429.550 1.040 30 10 IDEE C[C@@H]1CC(=NC(=O)CNS(=O)(=O)c2ccccc2F)NN1c1ccc(Cl)cn1 1852737073 MUIGWPQQYJYFSY-LLVKDONJSA-N 425.873 1.881 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(Cc4nnco4)C3)CC2=O)c1 1854096460 BMSUZHPACINPSF-OAHLLOKOSA-N 428.880 1.348 30 10 IDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCN1CCOCC1=O 1855139309 XCEXYQZTXCPKCW-UHFFFAOYSA-N 432.908 1.328 30 10 IDEE C=CCNC(=O)[C@H](NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 1861495749 HHSZZMBDTTWQTE-HXUWFJFHSA-N 441.484 1.602 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1 1862605801 CFLYQYDQGXHXHL-HXUWFJFHSA-N 438.436 1.878 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN1CCN(C)CC1 1870648491 ZOHGCSMWKHHJEE-UHFFFAOYSA-N 440.544 1.486 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1988631143 AXCQUDOJDHZJCI-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CO1 2243386669 FMNFSRZGNIIAHF-LLVKDONJSA-N 425.316 1.723 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255544864 HGTYWPKBUUFSPX-HNNXBMFYSA-N 436.362 1.998 30 10 IDEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255544891 HLNVWJLPHYRDKY-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CCO1 2255707675 ZNMMKTSLKXZZMJ-CQSZACIVSA-N 436.314 1.945 30 10 IDEE COC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2256634888 CMKKDXNZOLGPMS-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2259355099 KFKFCDXMCIQHCH-QWHCGFSZSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2267135506 DFXRDMKBBNBTEK-NWANDNLSSA-N 448.329 1.073 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H]1C1OCCO1 2267361474 BXINUHBGKTZGNL-ZDUSSCGKSA-N 429.369 1.882 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267516919 LCQCXXCXVIZCQS-RUAUBTSSSA-N 448.329 1.119 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2267548629 UBCVGWITIRPJSO-OLZOCXBDSA-N 449.361 1.536 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H]2COC[C@@H]12 2267569810 PNCCVRDVXCMXLJ-UAGQMJEPSA-N 447.341 1.678 30 10 IDEE Cc1nc(NC(=O)C2(NC(=O)OC(C)(C)C)CC(O)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268716085 LUXAUBFETJKQLT-UHFFFAOYSA-N 448.329 1.441 30 10 IDEE C#CCN(CC(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270517806 XYFGERVQBOPZQQ-AWEZNQCLSA-N 436.408 1.282 30 10 IDEE N#Cc1cccc2c1CCN2S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286047703 DRIQZYRNMVEGFI-KRWDZBQOSA-N 429.454 1.630 30 10 IDEE CCOC(=O)C(C#N)=NNc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1 252462864 WVYIDARGXWIZKM-UHFFFAOYSA-N 434.434 1.149 30 10 IDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(O)c(O)c3)n2CCc2ccccc2)n(C)c1=O 254877748 PJJOOMZAMGCFTA-UHFFFAOYSA-N 434.456 1.534 30 10 IDEE Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 434239114 HHLIFNAKXUJPQD-BDJLRTHQSA-N 443.451 1.995 30 10 IDEE Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 434239115 HHLIFNAKXUJPQD-BZNIZROVSA-N 443.451 1.995 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1cc(C)cc(C)c1 441184840 QLTOQGQHLBCUQX-UKAVVXHISA-N 427.501 1.975 30 10 IDEE C=CCN(C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(C(=O)OCC)cs1 443868533 MYCCOIGPFXJZJT-VDERGJSUSA-N 433.486 1.391 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccnc(C#N)c3)CC2)cc1OC 476055081 LAKABMFMFZRGEQ-UHFFFAOYSA-N 430.486 1.554 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)cc1C#N 489822984 CVCFRIZDMYANEM-MRXNPFEDSA-N 435.303 1.886 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(C)Cc1ccnn1C 508846941 INBOYJGEMYCYJB-UHFFFAOYSA-N 429.550 1.963 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 512718109 ITIBTYLGPMNUEL-QGZVFWFLSA-N 431.512 1.516 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)cc1 514523077 UTKXFRPECSCZIQ-LJQANCHMSA-N 437.565 1.959 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](c3ccnc(N)n3)C2)CC1 518400832 GXBXAPDSAXIELP-WIYYLYMNSA-N 437.523 1.786 30 10 IDEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)c1 522109797 ZYZLOXJWWXXXRK-UHFFFAOYSA-N 447.520 1.463 30 10 IDEE CN(C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 545153724 VVEHVXQXWBQXDA-UHFFFAOYSA-N 442.950 1.852 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 558981696 IZJHUCFVPNFMIW-ZWKOTPCHSA-N 439.582 1.583 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1C 608950808 AHYMIYYCIMDTBF-UHFFFAOYSA-N 441.557 1.976 30 10 IDEE Cc1nc([C@@H]2COCCN2CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)no1 611533479 GFWRTAMMPZNPOF-OALUTQOASA-N 428.468 1.300 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1=O 674477472 COOCCUULNGTKPT-MZNJEOGPSA-N 445.479 1.257 30 10 IDEE CN(C)C(=O)C1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 726186168 BHVQSPIFEOMIOJ-UHFFFAOYSA-N 434.562 1.612 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730136809 AZKNYDHZLLSSAP-MRXNPFEDSA-N 439.969 1.476 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC1CC1 730142219 QICLCEPRNGRXDI-QGZVFWFLSA-N 431.562 1.273 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 731070704 KBZDQNMQNNABHU-MYSGNRETSA-N 442.497 1.673 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)CCN1C1CC1 732681562 HCTYZHZRZCAYEN-HXUWFJFHSA-N 430.574 1.823 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1NC(=O)c1ccncc1 732706929 RSZOFCYXSKPPJM-IBGZPJMESA-N 432.484 1.780 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@H]1CCCO1 736585316 CPAXHMKHFZHADJ-OAHLLOKOSA-N 446.598 1.582 30 10 IDEE CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 737197480 FBTQRJYPWMPUOI-MRXNPFEDSA-N 431.924 1.958 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 737753995 YRFOVQSWUYTCEL-UHFFFAOYSA-N 447.499 1.839 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cnn(-c4ccccc4)c3)cc2C1=O 746459035 CYAHKBYNKPQUOF-UHFFFAOYSA-N 436.449 1.773 30 10 IDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCc2cnn(-c3ccccc3)c2)C1=O 750963959 XSHUCIVKQGJXGK-QHCPKHFHSA-N 428.452 1.827 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CCCCC3)C2=O)cc1 760401693 ZAUQTTDOTCWZFG-FQEVSTJZSA-N 446.529 1.682 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760772678 KGBYEIJHSKXTLV-QHCPKHFHSA-N 448.483 1.078 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 763936782 FRXVFVDPJUYBTM-CAPFRKAQSA-N 444.579 1.786 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1 763937661 NRPNNUMGLYCCBB-OSGFXRFRSA-N 435.506 1.558 30 10 IDEE CC(C)CN(C(=O)CON=C(N)c1ccc(NC(C)(C)C)cn1)[C@@H]1CCS(=O)(=O)C1 774781340 OAIWVPOBDFRMFD-MRXNPFEDSA-N 439.582 1.601 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1 780857418 SGTGZSGLNSQMEP-HXUWFJFHSA-N 445.497 1.142 30 10 IDEE C#CCN(C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 782079351 ZXKNSXAYLZFNHH-LJQANCHMSA-N 432.546 1.005 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]2C1(C)C 783703189 SGAHBFQBLOEBOH-QEEYODRMSA-N 430.567 1.802 30 10 IDEE N#Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccn1 795970610 GKAUQQTWZNDJDX-UHFFFAOYSA-N 428.470 1.923 30 10 IDEE Cc1ccc(N(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)[C@H]2C=CS(=O)(=O)C2)cc1C 798744851 CPKMGTQYEJGEMX-RDJZCZTQSA-N 443.485 1.215 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)ccc2c1=O 800668126 SOPJMSWRQYNXME-UKRRQHHQSA-N 436.559 1.319 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOC)CC1 802470572 PSPJANNACIYARB-UHFFFAOYSA-N 437.548 1.352 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192521 RTILGJHIYLNLAG-UHFFFAOYSA-N 448.574 1.686 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 805784831 SXUJUBBKAJMWCP-SFHLNBCPSA-N 448.589 1.302 30 10 IDEE CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cn2c(n1)CCCC2 807944452 BKKJFQQHJSDUES-UHFFFAOYSA-N 448.505 1.985 30 10 IDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)c1cccc(OC)n1 811065038 VBDNRKSEJBMRTM-QHCPKHFHSA-N 435.436 1.981 30 10 IDEE Nn1c(NN=Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084590140 HENYMXDNCKNTAG-UHFFFAOYSA-N 425.474 1.940 30 10 IDEE N#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(F)(F)F 1133828284 VVEOHMLHPJFEQV-ZDUSSCGKSA-N 425.816 1.935 30 10 IDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 1135982163 FUAMNCBHKPGICV-LJQANCHMSA-N 430.555 1.835 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 1136215056 XFDORRKCPMKRKR-HOTGVXAUSA-N 430.571 1.751 30 10 IDEE CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136731715 FLHJJWJROIXEBU-MLGOLLRUSA-N 427.523 1.799 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)s1 1141781057 HYLVKPSWGSTKJS-UHFFFAOYSA-N 449.554 1.866 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1155494388 LAKJQRKAJZZZIN-UHFFFAOYSA-N 432.525 1.185 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)C2)c(=O)nc1O 1159489509 DUSJLEIXTOBOHS-UHFFFAOYSA-N 449.324 1.256 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1=O 1189701771 RPVBAYGWGXNGEK-ZDUSSCGKSA-N 431.308 1.726 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC(N)=O 1286339432 LXSBUGKNABOYJP-OAHLLOKOSA-N 432.550 1.309 30 10 IDEE C#CCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1286360626 UYPLBMRINXQLKB-HSZRJFAPSA-N 441.580 1.789 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1286376091 FJLBRZJCJJDVIA-MSOLQXFVSA-N 433.534 1.068 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286388103 YDVQNNUEIAGPRN-LNLFQRSKSA-N 431.562 1.961 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1286394434 VTSPXPSVJVWJTH-HOTGVXAUSA-N 426.633 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2COc3ccccc3O2)CC1 1286494792 PYJUUPPPCARDFO-GOSISDBHSA-N 439.516 1.620 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)CC1 1286545998 FADXGKLZUDDCDU-DOTOQJQBSA-N 439.582 1.413 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1288708838 GBCWCBNQPCAOFZ-IRXDYDNUSA-N 446.502 1.844 30 10 IDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1289031886 WJPSLRBYUAPCFQ-XUTLUUPISA-N 447.499 1.958 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)OC)CCOC1 1296612323 CJOIOAGXBCHUDX-SZNDQCEHSA-N 428.493 1.500 30 10 IDEE C#CCC[C@@H](O)CNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1296955613 CSZWTGPCTJNQQG-CHWSQXEVSA-N 427.452 1.902 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1297716261 ARANPUUFCPDGRD-GOSISDBHSA-N 425.461 1.873 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1300300075 WRPXTUVYVBFSGN-MRXNPFEDSA-N 427.534 1.528 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1300304600 UANBANCSNCIQSD-PBHICJAKSA-N 427.505 1.956 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300506163 NRWOBPWDQMSPQA-GKWFENNMSA-N 442.607 1.304 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1300788259 VNIXTFOWVBECFG-IOMROCGXSA-N 436.578 1.746 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC[C@@H]1C 1300805046 WKYDZKBKDUFIMP-MAUKXSAKSA-N 432.550 1.569 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300880805 KVOTYKUAOGCKHA-FPOVZHCZSA-N 439.564 1.532 30 10 IDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300961370 IBGMANHTSPCEGG-SFHVURJKSA-N 439.564 1.746 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1300990319 JGWMODCUJAOHNA-SFHVURJKSA-N 425.599 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1301595805 BAEWWOXKCXNPFA-PXNSSMCTSA-N 441.598 1.061 30 10 IDEE COCCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1301684882 QIGXZOOVSVHPSB-UHFFFAOYSA-N 444.517 1.791 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1302496667 YMIBHEWUHSIUIY-MOPGFXCFSA-N 444.561 1.904 30 10 IDEE C[C@@H]1C[C@@H](C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1304922834 BXQQGPOPMXTNNM-BUNKOAGESA-N 441.536 1.409 30 10 IDEE CCc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1306171795 VJOZQVVRDQNGQT-LZICOFPGSA-N 429.525 1.108 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 1313371217 MTELOPUUIFDUIC-AZUAARDMSA-N 432.546 1.779 30 10 IDEE CCN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1313574466 XQQJJJIDXUKICY-CZIZESTLSA-N 441.536 1.809 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC#N 1315971809 CMVRIKRXFNUBRD-VGOFRKELSA-N 442.568 1.978 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccn(C)n1 1316205868 JEZHGCKJKDLAGE-LPHOPBHVSA-N 428.541 1.155 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1316337639 CVAYSKRDCBUBRG-YLJYHZDGSA-N 447.586 1.698 30 10 IDEE NC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1316545098 YKYRRDQVUVCGNC-UZYVYHOESA-N 435.488 1.173 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1342263341 OYDBFLCZXQQVSG-YOEHRIQHSA-N 428.938 1.677 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1358938954 MROUTRKCTHXOTM-GFCCVEGCSA-N 435.941 1.546 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1358960012 UPEWFARWQYZLBT-GOSISDBHSA-N 425.514 1.480 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1359016625 IBFRLHFQLMBHDF-INIZCTEOSA-N 433.509 1.095 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359040779 GGNWDRIXDHLYLM-UHFFFAOYSA-N 425.480 1.383 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)nc2)CC1 1359046293 MBAWFGSYOJLWGI-UHFFFAOYSA-N 445.527 1.682 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1359283254 FVOBRLZYAGUGRR-INIZCTEOSA-N 429.550 1.956 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1359303260 IRLFCCVFUOFBKS-MJGOQNOKSA-N 438.532 1.669 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359335008 XGQSVDDDZPQCCP-RBUKOAKNSA-N 437.610 1.378 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)NCC(F)F 1360258436 OZGBDEPWHJNSJM-CVEARBPZSA-N 445.474 1.541 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1360653944 XUHHPVOQFSMNOK-MGPUTAFESA-N 448.549 1.202 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(CC(=O)OC(C)(C)C)c2)s1 1452322654 HJZAXRJCMAOQFB-UHFFFAOYSA-N 440.547 1.932 30 10 IDEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457200026 MMHQAFGMICEXQB-QGZVFWFLSA-N 441.513 1.064 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC)ccc1F 1469274129 YHQSBAUNPRGDQO-LJQANCHMSA-N 445.516 1.993 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1 1470155571 POABRYWEYCRMSG-LJQANCHMSA-N 447.944 1.887 30 10 IDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(N2CCCNC2=O)cc1 1470344150 RSMHATKKNKYFFI-PTSWNOGYSA-N 431.518 1.247 30 10 IDEE CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1470610949 QBCGHQHDNDBWTN-UHFFFAOYSA-N 436.447 1.756 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)Nc2ccccc2)CCOC1 1502728104 GFHKBKYSXHCHNA-GCJKJVERSA-N 440.504 1.688 30 10 IDEE CN(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503405099 RXZIWONBJBBXDI-IBGZPJMESA-N 441.536 1.633 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CCOCCCO)c1 1505313918 LPVCDUQBZJFIMZ-UHFFFAOYSA-N 438.532 1.664 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC1CCOCC1 1507644338 HOCCLIDFYQMOLM-UHFFFAOYSA-N 446.515 1.579 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1OC 1507766053 YDFGRPWPAAHHAF-JLTOFOAXSA-N 449.581 1.233 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507812902 QUGCEHZFMXJDEK-BXWFABGCSA-N 427.571 1.629 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1508001167 KRAPIBLJMMUJNE-MRXNPFEDSA-N 429.550 1.863 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1508087487 RXVVCPCWVPTHTB-WBVHZDCISA-N 428.468 1.245 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508625505 JGUGLOKPYZAFHX-HSZRJFAPSA-N 435.532 1.980 30 10 IDEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1514053006 ALTRJDHQZANKNW-HRAATJIYSA-N 429.546 1.993 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1517393089 DWIAMTNYZKNVGT-QGZVFWFLSA-N 431.566 1.695 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1519402746 ZUNDCJGPNVDTDW-UHFFFAOYSA-N 436.520 1.988 30 10 IDEE N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)c(F)c1 1529482276 HBKSFZGTZNFWFS-HZPDHXFCSA-N 429.473 1.875 30 10 IDEE N#CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1533422003 OIFBQTXHHBGERB-UHFFFAOYSA-N 442.497 1.958 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539126167 UEVJZYUQWHMTPM-FGTMMUONSA-N 437.566 1.030 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1539265435 FZWCXLKPTJAVTB-INIZCTEOSA-N 445.511 1.527 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1539325390 HZUBNDGUVAYHJF-IBGZPJMESA-N 431.606 1.908 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539407720 MRCGSNLRBUHCJS-GOSISDBHSA-N 449.563 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1539489260 JZOYNOYBAUNUHY-IBGZPJMESA-N 430.597 1.901 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1539954036 YIVQMALDADHYDR-FGTMMUONSA-N 440.614 1.402 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCN(C)C1 1540193883 DDCAMJSDKGYILN-JOCHJYFZSA-N 429.521 1.422 30 10 IDEE CN1C[C@@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540470892 IBJPKKVJIBWHAM-MOPGFXCFSA-N 441.532 1.473 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540872187 GJOKROKSEMDKNM-MRXNPFEDSA-N 437.953 1.448 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1540878230 RRTZGOAOBJRZFU-WZONZLPQSA-N 438.532 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCC1 1540902210 CQYCIYXFLUKMLN-UHFFFAOYSA-N 431.566 1.653 30 10 IDEE CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I)[C@H](C)C#N 1542530517 GPZQOTHUAIBNCC-SNVBAGLBSA-N 435.287 1.916 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(CC(=O)OCC)cs2)s1 1544663742 KLKSBDBBSHFUSR-UHFFFAOYSA-N 429.545 1.956 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1554352947 MRFVSGNHYABKKJ-UXHICEINSA-N 446.508 1.269 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1555691368 PXVPSUZGQRCMQT-OFNKIYASSA-N 440.548 1.515 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1555985566 QYDHPQWNBWDVGK-MGPUTAFESA-N 429.431 1.438 30 10 IDEE C[C@@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCN1C 1565833707 MSCBVITWZVLCRA-BEFAXECRSA-N 425.493 1.736 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 1568701043 CLJPOLSAYLWLCN-HXUWFJFHSA-N 440.544 1.762 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn([C@H](CCC)C(=O)OCC)n2)cc1 1584059848 OFANXNPWFYEJFH-QGZVFWFLSA-N 432.502 1.951 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N(C)C 1587663636 ZXGAONLPAFASCE-FQEVSTJZSA-N 437.592 1.579 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588054290 MZFCQAUIOWBPTQ-RDGPPVDQSA-N 436.578 1.470 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588068877 BIMYITWXXHOHGN-SZVBFZGTSA-N 425.514 1.936 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588871681 NADNPSFSLMKLER-HYBUGGRVSA-N 439.560 1.769 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588876945 OVQCYBGITFNZOQ-ZQAYVECASA-N 431.581 1.492 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC=CCO2)CC1 1588890561 BXVMGTRSUXGLDV-CVDCTZTESA-N 443.548 1.241 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(CS(C)(=O)=O)CC2)CC1 1588913633 OVFQFNLVQDZUCF-UHFFFAOYSA-N 444.561 1.064 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589042634 IZNNCCDMAWOOPA-UHFFFAOYSA-N 436.607 1.510 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@H]1C 1589242515 CFMPJDNPAVGAFK-IWMITWMQSA-N 429.546 1.802 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1593747411 VTLIDJIRDYTWQD-JKSUJKDBSA-N 435.554 1.243 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1595161689 IKOSXFSJCGMLMR-OAHLLOKOSA-N 425.580 1.928 30 10 IDEE C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1611498311 AYLBIVYBRZHUEU-MAUKXSAKSA-N 448.474 1.996 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CCCCCO 1612885333 QDOSQMWKOQCEGC-GOSISDBHSA-N 447.547 1.803 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CC2)c1 1617707743 XATXNNRMFXWAES-UHFFFAOYSA-N 444.561 1.850 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C)nc1 1620020144 VKFHFQHCSNDZDH-YLJYHZDGSA-N 425.537 1.930 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1624079236 HAMOTXXYAJICBA-UHFFFAOYSA-N 426.498 1.603 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1630763815 LEVKBYFSKXYMLL-INIZCTEOSA-N 432.525 1.396 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1 1632960127 ACXKIJOZQKGYFP-UHFFFAOYSA-N 447.542 1.618 30 10 IDEE C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1633264229 TZHJNXVELGTHNO-WGLILOHCSA-N 446.529 1.662 30 10 IDEE C#CCCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1634350460 CFOBYKNLKRBLPK-UHFFFAOYSA-N 425.576 1.111 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1638977278 QNXYMQCHKFSKPX-ZWKOTPCHSA-N 436.553 1.528 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)cc2)[nH]1 1639637770 FWZWZIVXWVWLSX-NRFANRHFSA-N 446.463 1.966 30 10 IDEE N#Cc1cn(CC(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)c(=O)nc1O 1645121986 YAJUWSQWGRGALQ-UHFFFAOYSA-N 437.456 1.224 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)OC)c1cc[nH]n1 1651014496 CZJRCZUXDPLLAY-HXUWFJFHSA-N 434.424 1.123 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(C2(O)CCOCC2)CC1 1652204947 AJMNRMAGJAFTSE-UHFFFAOYSA-N 449.573 1.723 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 1656624370 LXHPVVZXQWFBSE-UHFFFAOYSA-N 440.587 1.709 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1660652608 ZMDWSDCRRUMKBG-ZBFHGGJFSA-N 436.477 1.773 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 1662964547 GCAZCZLHSYYEKR-UHFFFAOYSA-N 437.440 1.283 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1673799098 FCVFZXDLMWTZNI-ZFWWWQNUSA-N 443.547 1.142 30 10 IDEE C#C[C@@H](NC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1674026357 XPFDNIYOASYHHV-JKSUJKDBSA-N 429.336 1.969 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OCCC(C)C)CC1 1678656029 PZYNCEYBOGFIQX-UHFFFAOYSA-N 436.578 1.715 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)C1 1679943832 CGFDXRQQDJWASW-PSAQHYCVSA-N 426.539 1.400 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1689852112 AJARCOCUAFUSPO-KSZLIROESA-N 449.552 1.850 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1689930617 VVCCIPIOLIJUJK-HUUCEWRRSA-N 431.509 1.506 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1689992680 NTEZZRWUEDIAEG-CQSZACIVSA-N 438.351 1.673 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nccn2C(F)F)CC1 1690113637 PLFZYWCDZMBJIV-FQEVSTJZSA-N 435.479 1.325 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOCC2(C)C)CC1 1690363759 ASGSVMGONSPKIJ-INIZCTEOSA-N 426.587 1.156 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(C)COCCO1 1691871566 VGWJYXTZCWKAAO-IERDGZPVSA-N 426.525 1.584 30 10 IDEE COCCOCc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1698210392 VXYDBENHTDDRLB-LJQANCHMSA-N 435.488 1.675 30 10 IDEE COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1698225051 SMOPTBYGYZCEHQ-RTBURBONSA-N 440.504 1.342 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCCC1 1698255448 SGXPEDGSBKGMDR-SXLOBPIMSA-N 432.569 1.995 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1705586894 ACTZIJIXSCIHFQ-QGZVFWFLSA-N 428.514 1.373 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2c(C)noc2C)CC1 1705633728 XGXXVFCXMHHRDD-ZBFHGGJFSA-N 449.581 1.052 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCSC2)CC1 1705647119 AONVXAVWZSTSLU-INIZCTEOSA-N 425.562 1.844 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1705693559 HYLWSWXDTBDYGT-SJLPKXTDSA-N 447.584 1.639 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705708075 XBULRKCOFXMAOI-LQBOVUBWSA-N 433.553 1.578 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1705902315 BKZMQMBBRLPYHN-MRXNPFEDSA-N 445.545 1.054 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705907490 OOKHCKBNIRXHNR-UHFFFAOYSA-N 440.552 1.438 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908508 CSEMLVRTLFEFNH-OAGGEKHMSA-N 434.541 1.576 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)O)C1 1705922316 KPNICWIOIWHPRQ-OAHLLOKOSA-N 434.566 1.790 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705935106 HLHQFBHMASJKRI-SJLPKXTDSA-N 447.536 1.324 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C 1706749710 BKSCECPRXBSCAY-MRXNPFEDSA-N 429.550 1.911 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCCO)CC(=O)N1C 1708234577 PWXYXRYXKACCRF-KRWDZBQOSA-N 426.521 1.948 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1711589939 BLFHOLYORKOACV-LIRRHRJNSA-N 436.538 1.797 30 10 IDEE 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C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2nccs2)C1 1722725287 IHJPIAOELNJLCX-INIZCTEOSA-N 448.574 1.919 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)cs1 1725410456 GMWLIIAETUNPFR-ZWKOTPCHSA-N 432.550 1.948 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740575182 QVCWOWCKBGXZJS-HZPDHXFCSA-N 434.522 1.253 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)Cc1ccon1 1740636620 WQPPPOQSLFVVKK-UHFFFAOYSA-N 428.474 1.027 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1740758969 DNGODKYTEKDQLF-YLJYHZDGSA-N 425.537 1.707 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740846248 SCRPQJQLRVZBMM-UHFFFAOYSA-N 437.548 1.870 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccn(CC)c2=O)C1 1740972751 MOIKFVKLAHFEHH-WMZHIEFXSA-N 443.548 1.941 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1743905794 DPUWFWJIPFPIFB-KRWDZBQOSA-N 439.564 1.624 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748740139 MFVNBDZHRQBIQX-UHFFFAOYSA-N 436.516 1.294 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748814783 JCBXXDZRQZFJGV-ROUUACIJSA-N 436.578 1.842 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)cc1 1748825801 GAHSFVMLFZCWSO-QGZVFWFLSA-N 429.546 1.797 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1748929895 RUQPAFBQSIKGPY-KRWDZBQOSA-N 437.541 1.709 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1749000841 BFYWFDXAAOLESE-MLNNCEHLSA-N 444.624 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccco2)CC1 1749009276 HHTJSQNUQJAEHU-HTAPYJJXSA-N 427.505 1.249 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CCSC2)CC1 1749010901 RYSBTBZDELSNRE-QFIPXVFZSA-N 425.558 1.779 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COCC)CC1 1749303400 JQBQJHYNBLNECZ-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1C(C)(C)C 1749739411 BHCPBKKVIBEMST-UHFFFAOYSA-N 432.612 1.580 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1749790196 GKLSRGGEEJLZML-GOSISDBHSA-N 435.532 1.648 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760130631 KNGUHLWFRFQHTG-BXWFABGCSA-N 425.555 1.076 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760187071 TWRYVEDWYPWRCA-JKSUJKDBSA-N 439.582 1.723 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1760262006 XXCXDSNMSDCBNP-OYRHEFFESA-N 441.624 1.524 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760279845 ALRGTFSYVGHNME-FQEVSTJZSA-N 443.621 1.984 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760283280 IKRWJOIUTBQXIF-UHFFFAOYSA-N 439.632 1.815 30 10 IDEE C=CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760510256 OEQOFECSEGTZOU-BZUAXINKSA-N 435.525 1.718 30 10 IDEE 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Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cs1 480392504 XFOONHFRZYSAPN-UHFFFAOYSA-N 444.535 1.299 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCC(C)(C#N)CC1 505257457 KVXACJCIQKBGHN-UHFFFAOYSA-N 432.546 1.758 30 10 IDEE N#Cc1ccc2ncc(CN3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)n2c1 506732683 YDHHLJLGUUWDOI-UHFFFAOYSA-N 438.513 1.704 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ncc(C#N)cc4Cl)CC3)C2=O)n(C)n1 508033583 BDVOFVIWIFMLSU-KRWDZBQOSA-N 441.923 1.602 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 508823743 FLZHFZMVBYTBKX-AWEZNQCLSA-N 426.568 1.452 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 511935514 VTGKRUASYYKQGU-UHFFFAOYSA-N 427.954 1.339 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc1 515452338 YCGQDIHVGZPLTK-UHFFFAOYSA-N 425.554 1.279 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 515748221 SBLLMZZFHZREAY-UHFFFAOYSA-N 432.322 1.695 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)oc3ccccc23)c(=O)n1C[C@@H]1CCCO1 534881929 JKXQSSDDIBGNCC-LBPRGKRZSA-N 443.912 1.737 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)CC2)n1 545506450 GMOGOADLEWSPSV-UHFFFAOYSA-N 438.576 1.763 30 10 IDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 546565313 DSWHCPIUZZHPPO-KRWDZBQOSA-N 432.502 1.915 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@]3(CCCOC3)C2)CC1 585756352 XLGBAKMCEAGUQV-QFIPXVFZSA-N 425.489 1.957 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CN1CCNCC1 605700836 PQBIBFZGVNTUJG-WEXULQILSA-N 428.573 1.471 30 10 IDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 605996346 LJGQMNCTFKILCP-UHFFFAOYSA-N 434.477 1.384 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)cn1 732561834 ULJYSSQLLNPWON-UHFFFAOYSA-N 437.500 1.380 30 10 IDEE COC(=O)[C@H](OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)c1ccc(C#N)cc1 741372640 IHCZRINDLTUWPL-GOSISDBHSA-N 431.445 1.395 30 10 IDEE CCOc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn4ccccc34)c2=O)c1 743734031 ZJHJHOFONDDXJV-UHFFFAOYSA-N 445.504 1.194 30 10 IDEE C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 779321107 JLUIKXUIBOXGBO-CQSZACIVSA-N 427.548 1.570 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CCN1C1CC1 781529275 JAYUQHLUAKISMI-MOPGFXCFSA-N 436.965 1.947 30 10 IDEE C=CC[C@]1(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)CCCN1C(=O)OC(C)(C)C 791718645 UBYPAOVXQFIHBW-LJQANCHMSA-N 442.538 1.587 30 10 IDEE CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 794424575 NLHAQOIVCMOLOY-QGZVFWFLSA-N 443.577 1.806 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 794609839 SQHIKQCOSHTPAT-HNNXBMFYSA-N 447.520 1.324 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cncn1C 796089850 HYUUEWNVUWPSMA-XMSQKQJNSA-N 437.500 1.841 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H]2CCCO2)CC1 802692371 LSXSWNDTHSDHNP-QGZVFWFLSA-N 443.577 1.172 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H]2CCCO2)CC1 812254602 KLGCCPREHLLNHB-SFHVURJKSA-N 437.500 1.819 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1134055579 BRSPNQUZFMZQSK-LRDDRELGSA-N 431.392 1.808 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1146221270 OYWADOUDWCBGNV-KRWDZBQOSA-N 436.530 1.587 30 10 IDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1 1149782299 VOGAXKMNYXGNBU-JOCHJYFZSA-N 426.473 1.943 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)s1 1150953275 DYYOPADDHNYNAP-SJLPKXTDSA-N 440.635 1.239 30 10 IDEE C[C@@H](CC(=O)N1CCC(CN=S(C)(C)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1156189308 RABYOXZDHKUMLS-AWEZNQCLSA-N 440.591 1.470 30 10 IDEE COC(=O)c1ccc([C@H]2CCCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1C 1159558092 FFDBUAXCBVFUBZ-GOSISDBHSA-N 444.513 1.715 30 10 IDEE CN(C)Cc1nc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)co1 1179128422 TWVMARVDEFKRDF-UHFFFAOYSA-N 431.518 1.325 30 10 IDEE C#CCn1ccc(CN(CCOC)C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)n1 1194010386 WMPSNFCGGKKSCT-SFHVURJKSA-N 432.521 1.517 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1 1213304195 QOAQLSDDOCTFCV-UHFFFAOYSA-N 431.470 1.291 30 10 IDEE CO[C@H]1COCC[C@H]1CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1228753271 ISDANJRCKZIOEA-JXFKEZNVSA-N 426.521 1.918 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)C1CCOCC1 1231333015 VVRCYWYZLUXPLX-LJQANCHMSA-N 448.545 1.123 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 1248455118 XEKJAIKWAMNQNC-CYBMUJFWSA-N 434.440 1.441 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1256226681 JVAIJIJNPJDPLF-FQEVSTJZSA-N 448.483 1.268 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)n1 1271204501 MENOCGIZSWNYSL-HNNXBMFYSA-N 436.559 1.093 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286285277 LTYCRLPCQXLSSD-IERDGZPVSA-N 440.529 1.138 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286396219 WCQFOJSZYJUIEF-VQTJNVASSA-N 442.589 1.231 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286398284 WYVPSNWNZJYOPH-KRWDZBQOSA-N 445.520 1.215 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC(=O)N(C)C)CC1 1286489790 BZRNQOSVYOIJLB-UHFFFAOYSA-N 447.543 1.871 30 10 IDEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286591733 AAYVATNAEBTTEG-UHFFFAOYSA-N 427.900 1.510 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286788891 JOPIPSVVJIEDHM-VGSWGCGISA-N 426.521 1.340 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1286790253 LVHXRAVFVXFNOS-UHFFFAOYSA-N 428.537 1.819 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CC)C1 1286816389 KJNZYGPOOGNQBW-MRXNPFEDSA-N 442.549 1.758 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccccc2)C1 1286823702 PFYSGZKVJGUQBI-IBGZPJMESA-N 443.573 1.995 30 10 IDEE C[C@H]1CCc2nc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c(C#N)cc2C1 1289755557 AMMRVOLQYBGLKH-WFASDCNBSA-N 429.502 1.182 30 10 IDEE CO[C@H](CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1299612194 POYWHJANZVMKDQ-CWRNSKLLSA-N 428.459 1.926 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1300311669 VFLLTZJCUBXLPB-SJORKVTESA-N 437.541 1.707 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1300575270 VOJCBKVYQDFBNP-UHFFFAOYSA-N 441.561 1.179 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCC3(C2)OCCO3)n1 1300680451 BVBOKBASHURDSZ-SFHVURJKSA-N 428.537 1.866 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(C)c2)CC1 1300767942 IBTNJNNIEMGEPW-UHFFFAOYSA-N 427.578 1.884 30 10 IDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300992088 UBPFSODWNUXNNO-UHFFFAOYSA-N 429.525 1.805 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301509026 ZKYTUPYXRYJEPA-JKSUJKDBSA-N 429.550 1.183 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](COc2ccccc2)C1 1301509890 PDRSVJPVBDGACI-GOSISDBHSA-N 438.532 1.608 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1[C@@H]1C[C@H]1CF 1303863273 PDNXTCSNQDYCSF-VNQPRFMTSA-N 448.528 1.012 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCCO 1305531300 IDIMFVNAHIOLSD-IAGOWNOFSA-N 428.541 1.567 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1305639591 ALLGMHYSTDXKLF-CABCVRRESA-N 445.549 1.303 30 10 IDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCc2ccccc2Cn2cccn2)c1=O 1307345460 DSZOIEWOCPCYDG-UHFFFAOYSA-N 446.511 1.113 30 10 IDEE C#CCC1(O)CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 1308034418 PJRCFGKDYPLXKU-UHFFFAOYSA-N 445.585 1.601 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)NCc3nc(C#N)cs3)C2)C(=O)C1 1313351235 RMMQOFZOHWWNJF-OAHLLOKOSA-N 448.549 1.768 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](COC)C2)C1 1314260715 CKTMTSPUTFIPGB-GUSQXSHHSA-N 441.532 1.987 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1316045960 VLPVCOFCVABNIA-UHFFFAOYSA-N 434.504 1.882 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1OC 1320114547 XHJDEZAUUPLUEP-HOTGVXAUSA-N 446.504 1.900 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1358882144 UFBXWCMSJSMAOG-HNNXBMFYSA-N 425.489 1.456 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N1CCOCC1 1358937703 FIUDWGOUHQPOFV-INIZCTEOSA-N 430.940 1.652 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1358960614 ILSNPVUCJUJTPF-INIZCTEOSA-N 430.534 1.321 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358962382 OWXJZINWKPUMQQ-RBUKOAKNSA-N 439.541 1.569 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359132933 IKGJEZCSTLOZOW-HXUWFJFHSA-N 446.596 1.509 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1359267410 FTBYAUHMNHVSEJ-UHFFFAOYSA-N 443.371 1.774 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1359315940 FJXMHQOABCBKCB-DENIHFKCSA-N 446.573 1.838 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCn2ccnc2C)C1 1359321209 BXMZZBGZAULDAE-RTBURBONSA-N 448.593 1.947 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CC2(CCOCC2)C1 1360681482 QYFZJEZWJLMHDE-LIRRHRJNSA-N 440.545 1.537 30 10 IDEE CC(C)N(CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1360683681 GEESWNOQJRJNAK-APWZRJJASA-N 443.593 1.839 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccc(C#N)cn3)CS(=O)(=O)[C@@H]2C1 1450773163 JPYMWAATSPCYRF-DJIMGWMZSA-N 434.518 1.240 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c23)CC1 1458555052 GMUMCOVAYWDQPX-UHFFFAOYSA-N 443.554 1.957 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)c1cc[nH]n1 1467918742 CLSGECIJPWQVTJ-UHFFFAOYSA-N 443.504 1.483 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)CC1 1468194968 LWEIDJZGLOZMMF-QGZVFWFLSA-N 436.578 1.546 30 10 IDEE C=CCCC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(=O)OC 1471894854 GTQCZUWEGRFHFT-OAHLLOKOSA-N 444.575 1.769 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1OC 1472222250 JOEFHMJIGUIULS-HTTIADFKSA-N 448.541 1.601 30 10 IDEE N#CCNC(=O)CNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1478601645 DQXQGMVSVNVXKS-KBPBESRZSA-N 429.374 1.011 30 10 IDEE CC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1493453198 CMDMJAAFPAARDQ-ZZEZOPTASA-N 443.552 1.958 30 10 IDEE CCc1nc(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)no1 1498378487 YCYYAPIRAXZWAT-WOJBJXKFSA-N 433.488 1.949 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1504887487 XEFDXYISKAWSLF-OAHLLOKOSA-N 432.529 1.958 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCOC(F)F)CC2)nc1 1505318888 OCTFSIJAMPTQMV-HNNXBMFYSA-N 446.462 1.452 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1507628725 PYSRUVJXAUUSSU-QGZVFWFLSA-N 428.518 1.563 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507633092 AUUVOZWJKOMAQI-SFGWALBWSA-N 443.573 1.442 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1507738488 PUXMUMDLHHWCJC-ICSRJNTNSA-N 439.564 1.706 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507876491 JCDIZPNWRLKQLL-QGZVFWFLSA-N 432.569 1.848 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1508399650 FKVFKZHOCZSNGX-IBGZPJMESA-N 439.520 1.360 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1508403300 ZYYUYMYMHHXARD-LJQANCHMSA-N 438.536 1.639 30 10 IDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508670656 OBMVGTNZEUJGID-FUHWJXTLSA-N 445.568 1.873 30 10 IDEE CCC1(CC)CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1513589839 UBEXNCBFLDSETF-ZPHPHTNESA-N 443.552 1.959 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)O 1519443287 RZWQSQCKJSLSLW-HKUYNNGSSA-N 441.536 1.366 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1539013691 JMOFDSUQDBKFDM-CVEARBPZSA-N 425.555 1.028 30 10 IDEE C#CCCCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539139369 DHTYETKFXXNMEQ-QFIPXVFZSA-N 433.553 1.464 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1539265991 LEXJEQJEASAKEN-TZIWHRDSSA-N 439.585 1.774 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)CC 1539273564 XLWNQPBXLAEFIX-UHFFFAOYSA-N 447.587 1.194 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)COC 1539409177 QOMQTEZTCAEXML-UHFFFAOYSA-N 438.532 1.951 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nccn2C(F)F)CC1 1539467139 NMRUDRSJMFJIQZ-UHFFFAOYSA-N 448.478 1.022 30 10 IDEE CS(=O)(=O)NC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1540646509 MUKJTNJLZYKARI-UHFFFAOYSA-N 441.351 1.297 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1540874842 TXLZJRMAZLRHEP-UHFFFAOYSA-N 440.504 1.547 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540907734 GWUPOVZTSQMOBI-IAGOWNOFSA-N 437.566 1.322 30 10 IDEE CC(=O)NCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1541088290 CPFULADTGQPLET-CQSZACIVSA-N 433.310 1.963 30 10 IDEE CNC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1554477290 AWFFBSKRXKQUKG-IBGZPJMESA-N 433.875 1.440 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)c1cc[nH]n1 1557445460 XHDRCONGDOFBQA-AWEZNQCLSA-N 433.896 1.990 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)ccc21 1557600316 KBVYPPPXPAYGKY-UHFFFAOYSA-N 425.445 1.548 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CN(C(=O)OCC)C[C@H]3CO)ccc2c1=O 1558732933 WCKVZKYZKRSTML-XJKSGUPXSA-N 432.502 1.050 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C2)c(=O)nc1O 1558805424 MGQUEXXWFVFAGX-JTQLQIEISA-N 448.266 1.564 30 10 IDEE C#CCCN(CCOC)S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1561782380 DYQICFPJSAJYCE-UHFFFAOYSA-N 428.576 1.830 30 10 IDEE C=CCC[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1569184172 LOTOIVBNMRHMLJ-SJFMBGHLSA-N 429.517 1.914 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588029989 NOSCGRGHLDBFPQ-GOSISDBHSA-N 435.594 1.867 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588074519 NVINKSGIQUTULJ-ZSYWTGECSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@H]1OC 1588218815 DEOWFNKPSZQNQD-QFBILLFUSA-N 425.489 1.520 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1588673163 MILYLJKAWQDHKL-HXUWFJFHSA-N 433.534 1.161 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1594812890 MDESVNNZYUNTKG-QGZVFWFLSA-N 439.582 1.220 30 10 IDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1594839587 OMUONXLBPJSHRD-UHFFFAOYSA-N 425.537 1.387 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595551812 VVRDJHKLVVUMOM-UHFFFAOYSA-N 442.568 1.684 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(=O)c1C#N 1611231794 WOEARRGCWSMPAP-UHFFFAOYSA-N 436.266 1.034 30 10 IDEE CC[C@@H](C)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1\N=CC=CC1=O 1613206384 GAUWWCSZIZOHII-QULRWLLBSA-N 428.537 1.915 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(=O)NC[C@H]3c3ccccc3)C2=O)cc1 1626571316 RARPERHKIXMJOG-OALUTQOASA-N 431.452 1.463 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)NCC(C)C)s1 1629007016 DVGSDUDLSPTEEW-CQSZACIVSA-N 431.605 1.429 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C3CC3)[C@H](C)C#N)CC2)cc1 1632302825 DLFTUCFFINXGSR-QGZVFWFLSA-N 432.546 1.511 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCOCC1 1632880498 RCEPQNMURPDNDI-UPTRSRDDSA-N 436.509 1.339 30 10 IDEE COc1ccc(Br)c(C(=O)NCCCNC(=O)N2CC[C@](O)(CC#N)C2)c1 1634267588 CERPZJSRPCJHRI-GOSISDBHSA-N 439.310 1.638 30 10 IDEE N#Cc1cn(CC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(=O)nc1O 1635948877 JOYZFFQKTXGGFV-LLVKDONJSA-N 435.362 1.020 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2CCC)CC1 1636480529 RAPXLCYTSRMGBT-UHFFFAOYSA-N 429.546 1.359 30 10 IDEE Cc1sc(NC(=O)CN2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)c(C#N)c1C 1654261747 PAPDZUHPZHUGKI-FQEVSTJZSA-N 438.550 1.763 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1 1677535620 MSJSBBJTVFJTHN-QGZVFWFLSA-N 442.488 1.460 30 10 IDEE COC[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C1CCOCC1 1683970562 LBSDCRQZBGTXOC-HXUWFJFHSA-N 426.521 2.000 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1689824319 MRMMBQQUXJWCJE-OAHLLOKOSA-N 432.550 1.173 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1689929986 IVEBURYFOJFSIB-ZWKOTPCHSA-N 433.578 1.336 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1689947261 CTQOAVWYGDBGIS-OAQYLSRUSA-N 432.546 1.840 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689988219 LEEUUGPSEVNAFT-XLIONFOSSA-N 432.550 1.120 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690022624 LXMYOHCWHOJHKW-OAQYLSRUSA-N 433.560 1.279 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1OC 1690025035 BIBRRMMLAQWFKJ-IRXDYDNUSA-N 427.530 1.394 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)F)CC1 1690125318 FSHZTOOHEVREMQ-UHFFFAOYSA-N 438.429 1.284 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690321621 HCHZOEAHNUEYLR-LJQANCHMSA-N 440.552 1.963 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1690508098 AXMZXEHVYDBYCN-AWEZNQCLSA-N 435.497 1.049 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](COCC)C1 1690672284 NSSOZOBMPRYUTD-QFBILLFUSA-N 427.505 1.956 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690744300 MCPIONVDSJHDLM-GPMSIDNRSA-N 442.607 1.484 30 10 IDEE CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1693913082 QLQAFCZQAMPGAH-NRFANRHFSA-N 437.504 1.498 30 10 IDEE CCc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694736288 XGJFUCZENQEDQV-QZQOTICOSA-N 439.495 1.833 30 10 IDEE CCN1CCC(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CC1 1695821727 JKVQELINTWIQEP-UFYCRDLUSA-N 432.569 1.853 30 10 IDEE COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697929383 GMEPKPWSPNNXNM-QFIPXVFZSA-N 427.553 1.857 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(C)C)CC1 1705515161 WAYICOYBOKVDJO-UHFFFAOYSA-N 441.536 1.020 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1705570975 VYRHDQVWWYWGFH-SFHVURJKSA-N 433.578 1.164 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1705571535 AJPQSIRXNNWBRM-JKSUJKDBSA-N 435.575 1.878 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1705572113 QZBGUOCAROCEEC-BBWFWOEESA-N 442.607 1.382 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705584491 MIFCLTLRMGSRSU-DEOSSOPVSA-N 440.551 1.952 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(C(C)C)n2)CC1 1705632666 XZVSETFBIJPVKY-UHFFFAOYSA-N 429.594 1.994 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1705634727 HHDCKUYZYFHONG-URXFXBBRSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](OC)[C@H](C)CC)CC1 1705636352 GSPRPWONWBOOIE-WIYYLYMNSA-N 449.563 1.737 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)CC1 1705638459 LKPSMAMDYUDGDF-SFHVURJKSA-N 437.504 1.211 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCn2ccnn2)CC1 1705642025 CXKDDMIGSMEEIC-UHFFFAOYSA-N 434.548 1.911 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1705717240 FZPNNAQMFAKSSF-OAHLLOKOSA-N 430.596 1.550 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(N)=O)CC1 1705812765 LJVQJHIVTPLHPN-UHFFFAOYSA-N 446.577 1.863 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1705825162 LKMWPVAMJHVVKG-INIZCTEOSA-N 427.571 1.630 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCOCC1 1705871357 HCXONFFKTAMEQA-UHFFFAOYSA-N 449.519 1.348 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1705880621 KWNZZBKYGCJSHO-DOTOQJQBSA-N 433.534 1.492 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705936975 DJFNJLVQAVKBKW-IBGZPJMESA-N 448.593 1.714 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1706081028 ATDZEHUISIMDRE-GJZGRUSLSA-N 444.561 1.601 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCN2CCCO)cs1 1707755174 GMWCXHYYOATBQF-FXAWDEMLSA-N 433.557 1.923 30 10 IDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)C1=O 1711272438 PJJXDQZBPBHTRK-JOCHJYFZSA-N 434.504 1.540 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1712616351 XMEPQLGQURKZAH-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCOCC1 1712913044 RVMSBFKLKHSSMO-FMQUCBEESA-N 444.442 1.510 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722322395 RYSUXQURAWTEQI-UHFFFAOYSA-N 429.613 1.825 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1722360259 FSJNRXAYUZWBSZ-QZTJIDSGSA-N 428.562 1.309 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nccs2)CC1 1722444041 STIKOQKNFHICGW-NRFANRHFSA-N 444.561 1.401 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722507895 QKJYEBTXPRWXRO-JZXOWHBKSA-N 449.581 1.130 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722535207 BIMMAGCRWMGTBG-NRFANRHFSA-N 443.596 1.891 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1722630156 WUEFXDDWIKRRPD-CYBMUJFWSA-N 441.476 1.202 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1)C(C)C 1722667486 VKTGISFHOXOTRL-WOJBJXKFSA-N 445.612 1.942 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722689224 QOKKNRRXHDADAC-IVZQSRNASA-N 444.511 1.822 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1722724836 HRZZJSIHNNSCRI-MRXNPFEDSA-N 449.581 1.518 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722738181 CHVHEGJNULVVCN-HNNXBMFYSA-N 429.612 1.609 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1726751453 FLPQBKULHMHOLS-INIZCTEOSA-N 432.550 1.018 30 10 IDEE CCOCc1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1729015235 FFTHDDPUEXQYTR-UHFFFAOYSA-N 439.520 1.208 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1729485980 HDNLASXAPFDBLG-OAHLLOKOSA-N 434.447 1.583 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(C)CN(C)C1=O 1730749612 CFJXQBFDNQQWJQ-WMZHIEFXSA-N 438.532 1.785 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1730845812 XFCSJPGRIQNWBO-YCRPNKLZSA-N 430.484 1.786 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCN2CCOC2=O)c1 1731178630 DDRBXFBMTRAZBZ-KRWDZBQOSA-N 437.504 1.751 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1740550782 JVDKOUYIBSVNSP-GOEBONIOSA-N 448.545 1.712 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC1 1740677871 TYVXDXOOPCYLFK-KRWDZBQOSA-N 448.568 1.763 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCOCC1 1740685347 MFIWFVNFSDQWKH-QFIPXVFZSA-N 439.560 1.749 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740710094 REEMSYSDHAZWDF-HOTGVXAUSA-N 439.545 1.539 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740962984 VXQNTODCTDKWJY-LJQANCHMSA-N 445.589 1.769 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1740973358 WGMZOUUCHDZVTN-TXTKFYIRSA-N 447.580 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1740994339 PSMKIHRRFMJLKK-SFHVURJKSA-N 431.518 1.495 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cnnn2)c1 1742168300 ZFQAUUPIYZKUAW-HXUWFJFHSA-N 425.472 1.993 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1748818939 HYRMCSFHBKRXQP-IBGZPJMESA-N 442.520 1.417 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1cccn1 1748948027 FBJSRTMCORJKCZ-UHFFFAOYSA-N 433.516 1.834 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1748994277 WZTNDTJAYHOSSA-UHFFFAOYSA-N 441.601 1.991 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1749367450 WBZAZWRFWOBSSO-MRXNPFEDSA-N 439.582 1.078 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1749487391 CIJOXOOOJVNJQN-QGZVFWFLSA-N 439.513 1.429 30 10 IDEE COCC1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749516446 CYFGROMMAVUBAN-VZCXRCSSSA-N 439.520 1.673 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@H]1C 1749655382 JNEBUMNBFHFAGN-HZPDHXFCSA-N 446.577 1.732 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749663469 GIWDYZAFUKGNSZ-SFHVURJKSA-N 433.520 1.538 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@@H](C)C(=O)NC 1749666585 NDLOASYKMGWRHE-OAHLLOKOSA-N 437.504 1.721 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)N2CCOCC2)C1 1749715366 SEHDFDOXYFXYDD-FQEVSTJZSA-N 425.533 1.817 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1752280329 WWXGCFFVNQNZJY-ANNUQZOISA-N 441.536 1.204 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1760121169 QZAXWXOCBAYRCD-INIZCTEOSA-N 432.546 1.275 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1760165365 PNFNBCOFLLIGKW-NRFANRHFSA-N 432.546 1.862 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1760186318 MBAFOIJUMOHHSO-IAGOWNOFSA-N 439.582 1.628 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1760273605 ZXLKLSDMUIVGBW-RTBURBONSA-N 446.596 1.280 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(F)(F)F 1760521233 NDCFXAFAWSZSRI-UHFFFAOYSA-N 449.437 1.883 30 10 IDEE C=CCSCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760568242 CIFQEUXZASCJSH-UZLBHIALSA-N 439.582 1.189 30 10 IDEE CC(C)NC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1761262181 HIQGACJOQGAONS-XMSQKQJNSA-N 445.568 1.020 30 10 IDEE CCC[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1766347352 FGVUFHVMBAXJHN-ADAWSYLGSA-N 426.518 1.414 30 10 IDEE CCS(=O)(=O)NCCCn1c(CCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1766722470 ZUSQKWYCGNYQNP-FQEVSTJZSA-N 434.541 1.835 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1767655943 GLVAYEOLTGMBRR-IBGZPJMESA-N 425.537 1.357 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768439370 QHUDWANDOFVDKE-UHFFFAOYSA-N 433.476 1.138 30 10 IDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1768935392 VXPUKSRQYKZHJO-QFIPXVFZSA-N 437.504 1.867 30 10 IDEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1770423905 CGINBZZPWCBEAW-DLBZAZTESA-N 446.577 1.897 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCN2CCCC2)CCO1 1770746465 GYRBMEURKZWIBL-SFHVURJKSA-N 438.536 1.920 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c(c1)CCO2 1771222756 LVFQEFGUZKOHSG-VQIMIIECSA-N 427.505 1.908 30 10 IDEE COCc1c(C(=O)N2CCN(c3ccccc3C#N)CC2)nnn1-c1ccc2c(c1)OCO2 1851389903 LRHKGEGQOHMJGJ-UHFFFAOYSA-N 446.467 1.976 30 10 IDEE CN1CCN(c2nc(NC(=O)c3ncccc3Br)c(C#N)cc2C#N)CC1 1851836349 UVYQHUVMMJOFQO-UHFFFAOYSA-N 426.278 1.987 30 10 IDEE C=CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861512499 DMLTUZZHVQDWTE-OAHLLOKOSA-N 435.480 1.954 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c(O)c1 1862626564 DWASBGYVCRXOAB-IBGZPJMESA-N 440.408 1.541 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)cc2OC)c1 1870098420 CVNLDTIUURWXMG-UHFFFAOYSA-N 445.457 1.974 30 10 IDEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc2c[nH]nc2c1)N1C(=O)c2ccccc2C1=O 1870143029 SFGOXJZBANIEHC-NSHDSACASA-N 426.396 1.638 30 10 IDEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1871146408 HNBGWAZLKJFEFT-UHFFFAOYSA-N 425.441 1.814 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874336273 ANYYYMFIMBLJOA-NXSNIQIJSA-N 431.478 1.370 30 10 IDEE COc1ccc(OC)c(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890229132 RSAYIXHHSKPLLK-UHFFFAOYSA-N 429.561 1.505 30 10 IDEE C#CCn1ncc(N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2106012286 YXPFFBDJGSRTOE-WCQYABFASA-N 427.299 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2184061592 KMALWUOFDFAFCZ-SOUVJXGZSA-N 440.294 1.990 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NCC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243402527 IYFNXJUTYPESRH-UHFFFAOYSA-N 440.309 1.707 30 10 IDEE Cc1nc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247906183 MFDJGGTWDKMOOB-UHFFFAOYSA-N 433.261 1.501 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255654936 FZXCUUMUMJACRH-KBPBESRZSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255791464 PKRFZBOCVQEDPO-CQSZACIVSA-N 438.305 1.740 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255834503 NZRGHPREYAAXQW-KGLIPLIRSA-N 434.346 1.671 30 10 IDEE CCN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2256061311 JQUQVKAFSGDSQA-UHFFFAOYSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2256638640 JBHNUUATDWEREN-QGZVFWFLSA-N 432.326 1.761 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2267137159 OVNOQFOWHOFKDW-YUELXQCFSA-N 448.329 1.073 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267194745 RROVIMNIKZOMOS-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)(C(=O)O)C1 2267594992 GQUAUXYOSGRBGL-UHFFFAOYSA-N 446.309 1.790 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267597404 QHZQWOJELKEPEK-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC12CC(NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267609539 RUBUEKXQLGTHDR-NXNIQBKKSA-N 444.341 1.951 30 10 IDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2287685199 DYUWONHNRZNFNG-FXAWDEMLSA-N 440.518 1.187 30 10 IDEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 2296923523 PBOKUHSHROIFIQ-HXUWFJFHSA-N 436.468 1.990 30 10 IDEE CC(C)(C)OC(=O)N1CCN[C@H](CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2303485866 XSRCLGCDHNUANA-WOJBJXKFSA-N 427.549 1.822 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2315532903 KJDDUFWEMBAKLW-KBPBESRZSA-N 432.330 1.553 30 10 IDEE COc1cc2[nH]c(=O)n(/N=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)c2cc1OC 9283128 RAMFLNDEWGEXMD-ZVBGSRNCSA-N 429.385 1.061 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1F 72444274 SGKNKMWGGBWYLO-ZFWWWQNUSA-N 425.420 1.476 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 105264208 YDDXHLYMAKVTAC-UHFFFAOYSA-N 448.589 1.230 30 10 IDEE C#CCNC(=O)[C@H](C)n1cnc(I)c1I 307308131 NPBSPKCLCMGERG-LURJTMIESA-N 428.999 1.403 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)C2=O)cc1 426241982 FAXKOXACVHJOLS-LUFDOTTCSA-N 432.524 1.862 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447788568 VUCUAFVERROUJJ-UHFFFAOYSA-N 431.521 1.556 30 10 IDEE CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460767265 BUEGBMNJWUSXMW-UHFFFAOYSA-N 432.487 1.190 30 10 IDEE C=CCCCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 482093357 JHDKQINDUHANMX-UHFFFAOYSA-N 437.562 1.733 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 502560987 NUHKNLKOXSFQCQ-HXUWFJFHSA-N 437.518 1.908 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)c1C 518714710 BUMMSKBGJPJINA-LJQANCHMSA-N 437.565 1.831 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CC(=O)N4CCN(C)CC4)CC3)cc2C1=O 519506407 WFYSKXGESCWYMP-UHFFFAOYSA-N 438.528 1.485 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 541193723 JXOOFQYFFROZQB-RBUKOAKNSA-N 449.515 1.278 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 543056265 MDMWYHDBCDNKNU-FQEVSTJZSA-N 437.548 1.556 30 10 IDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@@H]2C1 555256228 TWBWYODFHSCMGM-KRWDZBQOSA-N 435.532 1.772 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 564807368 GZZLKAHWOLUTPM-DXIQSLLYSA-N 439.560 1.188 30 10 IDEE C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cccc(S(=O)(=O)N(C)C)c1 586863959 GGAIVELJUDMGSK-CYBMUJFWSA-N 432.477 1.441 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)cc1OCC 587066245 AOXUJDJASAKZSS-UHFFFAOYSA-N 431.518 1.965 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccccc1C#N 604003006 UIPXKYHHHKTKCY-UHFFFAOYSA-N 434.452 1.167 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(I)c2)CC1 609069962 OGHBPTYPIKRODV-UHFFFAOYSA-N 427.286 1.660 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@H]1CCCO1 611916144 KXCOMKQZTIUKHC-GOSISDBHSA-N 448.548 1.666 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 732462442 AUOIBCSQRHPRHC-QIDKZVQTSA-N 437.566 1.732 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CC=CC2)C1=O 759696079 DWQBOHIASNIEND-QGZVFWFLSA-N 429.546 1.504 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 769612799 GDFPAINHBTYTGV-HLAUDOPJSA-N 425.407 1.889 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1F 771542053 XJSOZJFRECDJQV-OAHLLOKOSA-N 431.497 1.501 30 10 IDEE C#CCN(C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774206635 FMKVEWQIQWRZQX-GOSISDBHSA-N 436.553 1.300 30 10 IDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 775372253 YYWMTGMTPIAFQE-HFTRVMKXSA-N 441.488 1.746 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2CN2CCN(C(C)=O)CC2)cc1C#N 782120787 ZNMCRRWTJFORJQ-UHFFFAOYSA-N 449.511 1.486 30 10 IDEE Cn1c(=O)n(C)c2cc(OC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 794167395 IEDPKGPWCJLXBX-UHFFFAOYSA-N 428.470 1.301 30 10 IDEE COC(=O)[C@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 794712193 QOWAHXUISMSMAE-HXUWFJFHSA-N 433.461 1.459 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCc2ccccc2S(=O)(=O)N(C)C)c1 802917243 BEHJRLWKRKZXCX-UHFFFAOYSA-N 438.527 1.758 30 10 IDEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cnn(C)n2)C1=O 807932365 YJYIYQMDMBBNAN-QGZVFWFLSA-N 447.540 1.544 30 10 IDEE COC(=O)c1ccccc1CC1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 813636030 CEYNQVXFWDCWFJ-QZQOTICOSA-N 440.500 1.964 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C(=O)N3CCN(C(C)=O)CC3)C(C)C)cc2C1=O 876537824 DQPUFQOOMRKYGI-IBGZPJMESA-N 441.484 1.341 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 919025135 KENPNJRQLVSUBW-XJKSGUPXSA-N 440.522 1.244 30 10 IDEE Cc1ccccc1NC(=O)CSc1nnc(NN=Cc2c(C)nn(CCO)c2C)n1N 1084462050 BHLRVTUQTBAEDL-UHFFFAOYSA-N 443.537 1.283 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccncc3)n2)cc1 1084463652 OHEYNQUYIXZBRW-UHFFFAOYSA-N 446.518 1.414 30 10 IDEE N#C[C@@]1(C(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)CCCOC1 1124800083 QFDXKCLWMZLBKJ-ZYEUVFMNSA-N 429.454 1.888 30 10 IDEE Cn1cc(Br)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1=O 1128015942 MIEPCMQQXHDHJD-INIZCTEOSA-N 429.274 1.945 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)cn1 1130701273 PPSXDCSOGYVZTL-GXTWGEPZSA-N 426.395 1.947 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)c1 1141896659 NJTXDFSYXRFGFP-QGZVFWFLSA-N 431.489 1.911 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1 1164154986 HOXXUSBJYWTXKP-FQEVSTJZSA-N 425.514 1.369 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCO[C@@](C)(C#N)C1 1176578408 NTOAGFYLAJXGNR-FQEVSTJZSA-N 436.534 1.423 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(n3cnnc3O)CC2)CC1 1194058011 HOTUZDPVOMSLBV-LJQANCHMSA-N 427.484 1.169 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1251526442 NAXYCNXRDZIKBC-HXUWFJFHSA-N 446.548 1.781 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1286276356 WVFSHTOMSPDQLV-ZIAGYGMSSA-N 434.522 1.573 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)CC1 1286323695 LUXDHFKVSHBPTF-UHFFFAOYSA-N 436.564 1.924 30 10 IDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1286391064 CKWQYQURKHISFM-QFBILLFUSA-N 446.529 1.454 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1C 1286396803 IEDCOBXGSKHUCH-ZWKOTPCHSA-N 429.546 1.737 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286781604 VGHLMPXIIDWCNC-HDICACEKSA-N 442.520 1.299 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C(=O)OC)C1 1286786246 ACUWWSGLRAWHJC-INIZCTEOSA-N 436.472 1.902 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1286966577 ATFRESMMXBCGAD-XHSDSOJGSA-N 447.540 1.461 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCc1ccccc1 1288825559 HMTGIFNQHVUWPJ-DNVCBOLYSA-N 436.513 1.547 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC2CCCCC2)CCOC1 1296662049 BCEVMDOEIJPWDV-XMSQKQJNSA-N 446.552 1.498 30 10 IDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC(S(N)(=O)=O)C2)c1 1299234393 AMRZQUQIUCFCKY-UHFFFAOYSA-N 430.511 1.402 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2COCCO2)c1 1300334587 QYZBDFMLPSODMK-OAQYLSRUSA-N 446.511 1.736 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300495857 KDBOLILQQVDUNZ-VQTJNVASSA-N 449.621 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN(C)CC(F)(F)F)CC1 1300729404 YLOIKPRRMNNITR-UHFFFAOYSA-N 426.487 1.691 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCNS(=O)(=O)c2ccccc2)CC1 1301091258 BWGRYBYCIBGTGD-UHFFFAOYSA-N 444.561 1.535 30 10 IDEE C#CC1(O)CCN(C(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1301219668 NLXHFODDUDJOSH-CYBMUJFWSA-N 439.463 1.998 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1301612372 YCDMZSNDTCVTSD-QLFBSQMISA-N 433.575 1.324 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1301851946 APOWWEMABVKVLS-AUSIDOKSSA-N 438.532 1.975 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1302989691 REMKCUROUBEGRC-XUTLUUPISA-N 433.472 1.570 30 10 IDEE Cc1cc(F)c(C#N)c(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 1306918515 BGOJHCHIULVUKL-UHFFFAOYSA-N 438.506 1.164 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@@H]1C[C@H]1CF 1316203786 HBZFQYHGIOAOCE-XYJFISCASA-N 446.531 1.773 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 1353197804 HHROZVNDMJRSAG-UHFFFAOYSA-N 425.417 1.508 30 10 IDEE C#CCSCC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1355064979 MBMAULZLBAPOAA-UHFFFAOYSA-N 428.295 1.942 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1358889506 CNCTWBQKPJWPAM-CVEARBPZSA-N 434.541 1.523 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1358961363 XJIQIWCITDHWNI-LAUBAEHRSA-N 445.545 1.081 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1359019020 IMMAUAMLXIOXOT-UHFFFAOYSA-N 433.314 1.309 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1359027031 SWUMLLOOPHCDDL-MSOLQXFVSA-N 449.552 1.852 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1359049344 MXDKISXJYKXHFL-CQSZACIVSA-N 439.611 1.241 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359125808 UCJJNHRBRQDAGI-KDURUIRLSA-N 434.585 1.652 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1359209068 ZTCYHGAPOKFFKD-KRWDZBQOSA-N 440.614 1.403 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359278708 DHIPFORIBVHVGN-NRFANRHFSA-N 446.529 1.880 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1 1359279233 YEXLVNXBTCATHY-QGZVFWFLSA-N 436.534 1.403 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359300095 TYANFPWUCWPCAH-UHFFFAOYSA-N 438.532 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C)c1 1359334450 GEZFSUVLHYKWEQ-UHFFFAOYSA-N 431.562 1.946 30 10 IDEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359340607 SJZVURVWLVPMIT-CQSZACIVSA-N 430.509 1.150 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1435871254 RKZOHKZBDOIGRN-KURKYZTESA-N 428.489 1.852 30 10 IDEE C=CCC[C@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1449727727 QOQBFJLDXRBOCF-HNNXBMFYSA-N 446.566 1.815 30 10 IDEE Cn1ncc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)c1I 1461444729 QVSYHBUFYUVPHB-UHFFFAOYSA-N 433.213 1.788 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(CC)cc3)CC2)C1 1479313071 LURILYVITSHBKQ-CTNGQTDRSA-N 426.561 1.968 30 10 IDEE CC1=CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1492613876 LUIRFKUMUKUHOE-ZPHPHTNESA-N 425.493 1.197 30 10 IDEE CCCN1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1500955038 LMVIXNRHSHACGB-UHFFFAOYSA-N 437.548 1.787 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1501901244 JQNMZCIMJMBJRV-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1502237530 ACGPTJFHYOFMPH-UHFFFAOYSA-N 448.535 1.274 30 10 IDEE CCN1CCN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1 1502356089 JHMSTTCLJGVRSX-KRWDZBQOSA-N 442.568 1.629 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1503159219 KVOCZTJPSNXUND-SAZZCXPWSA-N 430.509 1.519 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCn1c(O)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1507621823 CXHILTOYCGKISG-MRXNPFEDSA-N 442.545 1.784 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1cn(C2COC2)nn1 1507712204 TUTYFLSHROZDEL-UHFFFAOYSA-N 425.468 1.305 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1507719783 QFPUNKMIRSIINW-MZKRTTBSSA-N 429.565 1.667 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)[C@H](C)CC)CC1 1507736373 JSHPVFUURMMQSS-GOSISDBHSA-N 425.581 1.980 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1507741364 QKFBFLPPNZVPBP-UHFFFAOYSA-N 446.621 1.429 30 10 IDEE C#CCSCCn1c(N2CCN(Cc3nc(COC)no3)CC2)nnc1C(C)(C)C 1507757787 CBTDSHVJMZAVBL-UHFFFAOYSA-N 433.582 1.794 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1507958297 AGQGYQIDYNJVFC-UHFFFAOYSA-N 438.575 1.510 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1507965867 WJAIINBQDDEMDO-GNZRSQJKSA-N 439.582 1.725 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1508012726 HULHOZJIAMDBMX-HSALFYBXSA-N 443.596 1.694 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1508076208 SJHXJZPAKRHHSH-GJZGRUSLSA-N 431.468 1.859 30 10 IDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1508233456 VLLPFIWIIFMKKY-GOSISDBHSA-N 437.504 1.066 30 10 IDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1510887350 ALQJHULRCXILIC-PXNSSMCTSA-N 448.524 1.410 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1513459015 DLZXAUSYDOFXKE-KFWWJZLASA-N 433.513 1.261 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1516805913 ACTNLOUMKHTQHH-MRXNPFEDSA-N 442.501 1.764 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1533747014 UHVOULIDGJTJSA-INIZCTEOSA-N 444.937 1.989 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)[C@H]1c1ccnn1C 1534734559 CWYYUDYWDCLMAY-YADHBBJMSA-N 436.516 1.365 30 10 IDEE CN1C[C@@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)N(C(=O)OC(C)(C)C)CC1=O 1536226539 PRDWYLQSLULHOA-SFHVURJKSA-N 438.488 1.819 30 10 IDEE COc1ccc(Br)cc1C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1538766586 YHBITLFQMMQANT-YVEFUNNKSA-N 439.331 1.886 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1539118285 KZOONNLRSFHGMV-JCKWVBRZSA-N 439.946 1.252 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1539416631 QQFZZXLHSIWVGP-LJQANCHMSA-N 444.557 1.640 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)OC)CC1 1539452133 LQLVCPWFFNSUJA-QZTJIDSGSA-N 448.568 1.377 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539468315 DGDJTEWYWREZGD-WMZOPIPTSA-N 435.594 1.725 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCS2)CC1 1539468976 LGHRZSYDHHDUBD-FUHWJXTLSA-N 435.594 1.864 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncccc2C)CC1 1539488115 HOXWDAWCPDZRFU-UHFFFAOYSA-N 435.532 1.118 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1540858060 FZFHZESXUPEQPQ-HNNXBMFYSA-N 438.941 1.408 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](C(=O)OC)C1 1540904161 JPKBJJGHFDJSEO-SFHVURJKSA-N 432.546 1.777 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1540914872 DVOHQTKXPBFHTJ-IRXDYDNUSA-N 443.639 1.857 30 10 IDEE CCNC(=O)C1(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)CCC1 1547755967 GWCLOBWCDLUXSM-SFHVURJKSA-N 438.532 1.913 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)COCCOC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367860 RNLNFQANXGAHBS-MRXNPFEDSA-N 428.411 1.003 30 10 IDEE O=Cc1ccc(OCCn2cc(C(=O)NCc3ccc(C(=O)NO)cc3)nn2)c(Cl)c1 1556381793 IHLPDUWWZFRSIF-UHFFFAOYSA-N 443.847 1.872 30 10 IDEE COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NCc1ccc(C(=O)NO)cc1)CC2 1556382161 XINWZAWBRDPPQS-UHFFFAOYSA-N 441.484 1.804 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1c1ccc(O)cc1 1556734001 GGRWAXNJJCZWOX-ZWKOTPCHSA-N 446.456 1.857 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 1556817365 UTJLMWVGWHVPAF-FPOVZHCZSA-N 431.489 1.819 30 10 IDEE C#CC[C@H](COC)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1557769634 MATFHZLXORZCFD-HXUWFJFHSA-N 443.525 1.892 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)cc1 1557978803 WEDBZNOQXMYMFJ-QFIPXVFZSA-N 441.553 1.799 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc21 1558642944 HZLFOZGTJRFXJB-PJSUUKDQSA-N 449.533 1.253 30 10 IDEE COc1cc(CCCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc(OC)c1O 1565143475 LSFMIXQOGONSHJ-HNNXBMFYSA-N 440.504 1.924 30 10 IDEE C=CCOC[C@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OC 1568154158 BNIIOFGVNQTTAK-LBPRGKRZSA-N 430.255 1.654 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(OC)CCOC1 1587568953 TZIONXIHZCGWMR-VFNWGFHPSA-N 446.577 1.810 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1588050602 TUFJRZGHVCMOHU-LJQANCHMSA-N 442.520 1.687 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588058858 DPQSQKGBVNXLML-HZPDHXFCSA-N 439.582 1.771 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2OCC[C@H]2C)n1 1588722895 IERIRMFMWOJHSQ-QWFCFKBJSA-N 428.537 1.690 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589515789 RZSYNPMMIJRRQU-OTWHNJEPSA-N 446.577 1.839 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1589577393 BOYFQCXNMFSNSM-XWSJACJDSA-N 448.568 1.445 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1594807518 QUECORGQENGOPU-UHFFFAOYSA-N 449.515 1.996 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1594813369 RKEWPLGGADBSED-OAHLLOKOSA-N 449.524 1.439 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOc2ccccc2)CC1 1595550342 CUATVCZSLDILPK-IBGZPJMESA-N 440.548 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595784098 CIZJLSWNIXRUHU-OXJNMPFZSA-N 433.534 1.325 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595844644 GEKWBYBBCAABNA-RLFYNMQTSA-N 445.611 1.192 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1596806221 DMHRRXAYIOQLAU-MRXNPFEDSA-N 448.535 1.823 30 10 IDEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCNC(=O)C(C)C)n1 1612202394 TZGJMZWUAVYTSL-UHFFFAOYSA-N 446.515 1.956 30 10 IDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)CC2 1613060542 XNALJAHEVRJWST-INIZCTEOSA-N 431.537 1.818 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1620110827 CETXMYYIPRFQPY-OTWHNJEPSA-N 432.569 1.853 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C#N)CC2)cc1 1621626608 NCQPUBWMNYRSBV-UHFFFAOYSA-N 447.538 1.765 30 10 IDEE N#Cc1cn(CCC(=O)NCCC(=O)Nc2ccc(Br)cc2)c(=O)nc1O 1625381244 AIRPXYODFLHYSQ-UHFFFAOYSA-N 434.250 1.118 30 10 IDEE CCOC(=O)CON=C(C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21)c1cc[nH]n1 1625656486 BMITTZWNAVZHHD-VQIMIIECSA-N 425.489 1.836 30 10 IDEE C#CCN(C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1626775324 PZCAKLNNXFCRIL-AWEZNQCLSA-N 435.399 1.658 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H](C)C(=O)NC4CC4)CC3)n[nH]2)c1C 1629097939 RQRLBQZCJMAZKO-MRXNPFEDSA-N 425.537 1.501 30 10 IDEE COc1ccc([C@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1631077387 MQFYATAWHOLIPC-GOSISDBHSA-N 429.498 1.724 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(Br)ccc(OCC)c2F)CC1 1632624023 LYKMGMYJKYYOBF-UHFFFAOYSA-N 440.313 1.884 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC1 1632961304 VBNMMOOELAJECD-UHFFFAOYSA-N 430.486 1.066 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1633792652 KEQQKBLVTMGSOF-ROUUACIJSA-N 428.489 1.366 30 10 IDEE C=CCn1cc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)nn1 1638491532 BLRANCQCDINAKM-HKUYNNGSSA-N 433.534 1.028 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)CN(c3cccc(C(=O)OC)c3)C2=O)c1 1640998935 MWSWIQQFPRSFEE-UHFFFAOYSA-N 434.408 1.571 30 10 IDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 1641794870 DWRRXHSOANKRHU-MRXNPFEDSA-N 435.468 1.586 30 10 IDEE CCOC(=O)[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H](O)c1ccncc1 1648266223 GVKVFOXBQZPGTM-AHRSYUTCSA-N 426.448 1.700 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c1 1648493002 GUTVTFCNCLGFSZ-QFIPXVFZSA-N 430.505 1.668 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3cc(OC)c(OC)cc3S2(=O)=O)c1 1651794314 MLSUEQWPNURKLG-UHFFFAOYSA-N 443.437 1.178 30 10 IDEE CCC1(N2CCOCC2)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 1654424513 VFWSRZHRFRWYDW-UHFFFAOYSA-N 430.553 1.080 30 10 IDEE Cn1cc(CNC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c(-c2ccc(C#N)cc2)n1 1681498723 DDFCMQBNALGXOE-HXUWFJFHSA-N 429.502 1.058 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1690098973 YHBWZYZCXWMBFK-VZCXRCSSSA-N 438.463 1.697 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1690485381 RMLKOCXYLUIGJB-OAHLLOKOSA-N 429.612 1.909 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1690604254 QTHWTVATGIYGLB-IBGZPJMESA-N 441.561 1.707 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](COCC)C1 1690669823 PWIUGVSGTYIOFT-HNNXBMFYSA-N 437.504 1.759 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690670357 AELQVNQZVWEVAO-KSFYIVLOSA-N 429.496 1.711 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1694223968 VSXRXIIBEDUSLH-RDTXWAMCSA-N 439.520 1.969 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1697190428 SDTABIOWZYLELQ-LSDHHAIUSA-N 427.452 1.342 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnn(C)c1C 1698170789 WCYIIYMBCPIMPD-LPHOPBHVSA-N 428.541 1.269 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1705477589 PZZVSRRLCYQCFC-MPGHIAIKSA-N 436.557 1.788 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C#N)C1 1705515013 QLCJSDXRJDTMBR-INIZCTEOSA-N 427.534 1.770 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705564422 OBTOHHYFJLVICN-SFHVURJKSA-N 431.562 1.727 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1705566481 NTAWZVGOSJNNHB-IAGOWNOFSA-N 447.561 1.706 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705652460 ADQHJOIKMOROBM-UHFFFAOYSA-N 445.593 1.218 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705659999 KWXWNLPXUAKAKJ-SFHVURJKSA-N 434.610 1.533 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)OC)C1 1705692271 DXLCPVYVLYQWAU-IHRRRGAJSA-N 429.315 1.910 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC)CC1 1705705438 HTLINXYYHSUWMI-AZUAARDMSA-N 425.537 1.707 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706060592 XVCAATXRPGWQDA-UHFFFAOYSA-N 432.488 1.710 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1708275465 DHHYTKULIDLDIN-GKCIPKSASA-N 449.508 1.330 30 10 IDEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1709767243 HUKGZMMBIHZOKQ-MSOLQXFVSA-N 436.582 1.031 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1 1712453827 AYWAQCXEXUEKCA-QGZVFWFLSA-N 433.534 1.604 30 10 IDEE COCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1712615668 NKWKSGDHMFYWHI-AWEZNQCLSA-N 439.314 1.438 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCOCC(F)F)cc1 1712880349 GDEQIDGMJSBIDG-OAQYLSRUSA-N 446.458 1.727 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1722312186 XXQOFAOESUPPRT-IBGZPJMESA-N 433.520 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(COC)CCOCC1 1722387154 HTNCITXFZYKIKB-UHFFFAOYSA-N 436.516 1.832 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1722412919 FULORZBAYUNPSF-SFHVURJKSA-N 429.546 1.438 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722532246 GJMREVHQBRCUMU-KRWDZBQOSA-N 444.496 1.768 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722554743 HDQYNJYKVCRFIW-LSDHHAIUSA-N 427.958 1.524 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1722631523 PHDXRFPJEBLERN-MRXNPFEDSA-N 433.582 1.862 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1)C1CC1 1722650542 DXNFYYJMEFZXRT-SFHVURJKSA-N 443.573 1.937 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2oncc2C1 1722702324 NDJTXRCOXDHZOY-UHFFFAOYSA-N 427.490 1.123 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1728602704 FIIATBPKSJNFSN-XMSQKQJNSA-N 425.585 1.835 30 10 IDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1730666740 WGJWKIXNKLSSIT-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CCC#N)CC1CC1 1731012357 UCRXXZSBQGYMJR-ZWKOTPCHSA-N 436.582 1.726 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(Cc3cccnc3)n2CCOCCCO)CC1 1731184723 IAMVXKOJYSQHPY-UHFFFAOYSA-N 447.543 1.861 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(Cc4cccnc4)n3CCOCCCO)CC2)c1 1731185293 XCYOOHWIKXBRRG-UHFFFAOYSA-N 448.531 1.256 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1740591369 OOGYIRYYNJKOSV-JQHSSLGASA-N 437.566 1.028 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740624632 JDNZRZCFPKGJFJ-JLMWRMLUSA-N 445.589 1.688 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(O)CCc3ccccc32)CC1 1740707693 MLKVCFYHXLOKBH-DEOSSOPVSA-N 437.544 1.614 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740787028 XVJJPLVKNJMJLO-UHFFFAOYSA-N 430.553 1.556 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(CC)(CC)C1 1740951555 IJBJTWCQLDLPGH-AWEZNQCLSA-N 444.627 1.303 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740952807 ODLKIMBGQNYTRO-QRQLOZEOSA-N 427.505 1.899 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740990669 COQXFXXHBXZKNL-HOTGVXAUSA-N 441.554 1.397 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1741006659 OAKFMSYWXIGFBO-BBWFWOEESA-N 444.623 1.935 30 10 IDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1744712699 MIBRXMFNONGCIC-TWMKSMIVSA-N 432.525 1.594 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1748639317 FOLGFQFRWWSUEL-LSDHHAIUSA-N 432.550 1.547 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1748752389 WFGKRQIQRIPBBJ-KSZLIROESA-N 437.566 1.172 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1749097556 CRGGDJUVSVEJDG-KGLIPLIRSA-N 428.331 1.768 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749119927 YLPQTGYGAYCVFB-NRKLIOEPSA-N 427.571 1.077 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1749245350 HSDPVRQHADSRQI-UHFFFAOYSA-N 434.504 1.088 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749476140 YPOSTDMOEAVNHK-HNNXBMFYSA-N 435.550 1.866 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(F)c2C1 1749629719 AULLTGUFXUFWBZ-QGZVFWFLSA-N 439.488 1.638 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C(C)=O)CC2)C1 1749715895 WTGSEWDOVYALGB-OAQYLSRUSA-N 439.564 1.209 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)c1 1750382875 YWCXOKURONSDFJ-MRXNPFEDSA-N 433.438 1.780 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1760138875 KVDCTBQWQBCWDA-HXUWFJFHSA-N 439.516 1.889 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)CC 1760225943 DHWSOWDDABEJRW-UHFFFAOYSA-N 429.344 1.435 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ncc(CC)s2)CC1 1760257411 VYNBIUHCRKDTKR-QFIPXVFZSA-N 444.605 1.947 30 10 IDEE C=CCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760444668 NCPVFNZJFBECMQ-VGOFRKELSA-N 446.552 1.663 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760445370 HVQNSEYCIBBPRE-CABCVRRESA-N 428.449 1.632 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CCOC)C1 1760518000 FBLBGPOMOXDIDV-INIZCTEOSA-N 437.508 1.086 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)C1 1760542115 DHGRWQILROJXHQ-KURKYZTESA-N 440.566 1.157 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CN(C)C2=O)C1 1760550303 WGDPXPWFRNTSQG-BTYIYWSLSA-N 444.561 1.529 30 10 IDEE CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760946789 SJLIESOJTMWKML-GAVQXBFOSA-N 441.536 1.628 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 1762399924 GXYPYIPTLXAPII-INIZCTEOSA-N 446.581 1.076 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1763296902 YFESHDWZIIGFGG-HNNXBMFYSA-N 425.493 1.522 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C#N)C1 1766715505 PYMVTFTWSSMBOP-AWEZNQCLSA-N 438.941 1.657 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCSCC2)CC1=O 1767526164 GYDWSOZZAXALEK-UHFFFAOYSA-N 441.561 1.056 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1769049981 GIJRTWQPHHAVGQ-SFHVURJKSA-N 445.545 1.372 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)C1 1769160237 YATQYEAMCIRYFC-QFIPXVFZSA-N 426.521 1.832 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1770315990 FBCBKUIRIYHBNB-GOSISDBHSA-N 445.545 1.372 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1770863100 KTNNDBOKKWAPPZ-UHFFFAOYSA-N 432.488 1.753 30 10 IDEE COCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771276751 KWRVREVXAIATDV-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1771529031 HGEJGCOHAQIVLC-IUSZMWJPSA-N 443.458 1.154 30 10 IDEE N#Cc1ccccc1OCC(=O)OCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1852190668 WTCLAGZUCKGRMC-UHFFFAOYSA-N 447.488 1.626 30 10 IDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1=O)CC2 1855022732 HHIHBMCCGVNXIO-NVXWUHKLSA-N 428.924 1.709 30 10 IDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)C2=O)ccn1 1855028020 PVDNXBFVIZLHQA-SFHVURJKSA-N 444.900 1.506 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)COc3cn(CC(=O)O)c(C(=O)O)cc3=O)c2C#N)C1 1857883852 AYTVUEGSVZQXGI-JTQLQIEISA-N 445.453 1.707 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2ccccc2C#N)n2ccccc12)[C@@H]1CCS(=O)(=O)C1 1858243115 QRFTVJURGMKFKM-OAHLLOKOSA-N 437.481 1.717 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 1867844356 ANWPDBRIHDSUFR-HOTGVXAUSA-N 441.400 1.592 30 10 IDEE NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928034 NURPHGYAFFXDFT-SFHVURJKSA-N 440.525 1.060 30 10 IDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)COc1ccccc1 1870108663 SAROKXVGKPZYJE-UHFFFAOYSA-N 436.384 1.990 30 10 IDEE CN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCN1CCOCC1 1870348107 JJZNBMSDXGZSLB-UHFFFAOYSA-N 426.517 1.055 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCN(CC)CC)ncnc21 1875229249 SUFUSQCBQKOMDU-UHFFFAOYSA-N 427.553 1.709 30 10 IDEE COc1cc(NC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc(OC)c1 1889548533 GVXLHKPUHUMINE-UHFFFAOYSA-N 430.549 1.968 30 10 IDEE COCCN1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1892044772 RFHWVSZYKBCGTM-NHCUHLMSSA-N 430.574 1.742 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC[C@H]1NC(=O)C(F)(F)F 2255635203 FORRSHMSFIRQHG-GHMZBOCLSA-N 447.288 1.971 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CO 2255751334 ZCKVSKVEWKMFQD-UHFFFAOYSA-N 449.382 1.681 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256626021 FECXCJNMLJMUCD-GJZGRUSLSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC(O)C1 2256668761 FWOHRKRBXASCPF-UHFFFAOYSA-N 433.314 1.738 30 10 IDEE Cc1ccnc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267150173 BGKVLDPSCYAVKL-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267162512 PTYNIQLCJVDECL-JLCFBVMHSA-N 444.341 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 2267267561 XOJMUSWAWYYVOI-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267604298 FIQDZRPFLBRLEY-CYBMUJFWSA-N 449.361 1.442 30 10 IDEE COc1nc(N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786173 HMSCCPJZUWBDDP-CABCVRRESA-N 449.357 1.854 30 10 IDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2367800701 LUWWWMVUAMPPIE-QKNQBKEWSA-N 434.558 1.971 30 10 IDEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NCc1ccccc1 20292027 YZQNTKCPFDFXCT-SRZZPIQSSA-N 426.462 1.755 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cc1 20906180 PJNMQRALKSXXLX-REZTVBANSA-N 432.491 1.928 30 10 IDEE O=C(/C=C\c1c(O)[nH]c2ncccc2c1=O)C(=O)/C=C\c1c(O)[nH]c2ncccc2c1=O 83327614 SDTJLCPHTHNMLD-SFECMWDFSA-N 430.376 1.436 30 10 IDEE O=C1C/C(=N/NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21 105496460 JYAUCIQOPHOKCN-PYCFMQQDSA-N 444.538 1.985 30 10 IDEE CCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 409556403 XYFVJXDWRPZSBD-UHFFFAOYSA-N 447.483 1.742 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCSCc1ccccc1C#N 440067641 ALWVFGHFAVHULK-BDXSIMOUSA-N 431.514 1.926 30 10 IDEE COc1ccc(C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 481777965 KBOVFDURGMTMLG-LSDHHAIUSA-N 431.514 1.990 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(Cc2nccn2C)CC1 500217212 ROVFATDIXWDALD-UHFFFAOYSA-N 427.553 1.503 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 508827518 MMBPVVKBEMXKKT-LJQANCHMSA-N 443.504 1.532 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(CCC)CC1 508922045 OIUIWQDSQDJLMU-UHFFFAOYSA-N 437.592 1.954 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 519875848 NVADHEYZRMJWJB-UHFFFAOYSA-N 425.488 1.880 30 10 IDEE CC(=O)N1CCN(c2ccccc2CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 522461827 CBYHWQLANOHVQH-UHFFFAOYSA-N 447.543 1.654 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 531370643 AMISIGAISWLNBY-OAHLLOKOSA-N 425.535 1.894 30 10 IDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 532804872 HWRWVTIYKKTAOK-NSHDSACASA-N 425.454 1.840 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 563328463 KXKNNAZHMJEHOS-WOJBJXKFSA-N 445.479 1.092 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@]1(C#N)CCSC1 588945068 NWFOQPFPJIKLCM-IBGZPJMESA-N 438.575 1.150 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(F)cc1 603785876 AMQPBPIEHITYSO-UHFFFAOYSA-N 429.498 1.365 30 10 IDEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670233977 DPWRQKOHKODXSR-MRXNPFEDSA-N 438.488 1.765 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 725764546 XLPNLGXWPUISLE-UHFFFAOYSA-N 449.536 1.399 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 727844933 VPXFEXASIPUTGD-UHFFFAOYSA-N 443.529 1.529 30 10 IDEE C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc1 729009589 ZFHQSPZWVALUIM-XNTDXEJSSA-N 439.493 1.365 30 10 IDEE C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465224 DZSRPJNWMJPIBH-ZREAOVPFSA-N 441.532 1.445 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cnn(CC)c3)c2=O)cn1 735068699 JXAKXUVPYJISGB-UHFFFAOYSA-N 436.541 1.594 30 10 IDEE CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741342740 IRAQSXHCXQLSKJ-HNENSFHCSA-N 426.429 1.210 30 10 IDEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 744144789 YDQZVZRJANRLOD-UHFFFAOYSA-N 433.511 1.834 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1C#N 747498193 OPHDYTDYNUXAHS-UHFFFAOYSA-N 441.875 1.411 30 10 IDEE COC[C@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 749806695 PJHKGKJXDIBCAZ-RTBURBONSA-N 443.573 1.983 30 10 IDEE CSCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 751824673 OFWFMPPQTHBDHL-UHFFFAOYSA-N 441.582 1.196 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 759791909 HPZOMMDYQAOUSH-FOCLMDBBSA-N 444.307 1.653 30 10 IDEE COc1cc(OC)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br 778611124 BICDRFYCIQEILT-LBPRGKRZSA-N 437.294 1.604 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)c(Br)cc1OC 779877246 HZCNEIYWKBNJPU-SNVBAGLBSA-N 440.312 1.408 30 10 IDEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 782859233 GCTKVHMXZKOPRW-INIZCTEOSA-N 444.565 1.027 30 10 IDEE CC(=NNC(=S)NCCCN1CCOCC1)c1c[nH]ccc1=NC(=O)OC(C)(C)C 783512258 XWQBBLDFZNTOOF-UHFFFAOYSA-N 436.582 1.761 30 10 IDEE C[C@@H](C(=O)OCC(=O)Nc1cccc(I)c1)n1cnc(C#N)n1 798744589 ADLSNXWKMSHTRP-VIFPVBQESA-N 425.186 1.497 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1F 807941851 YAGYKDLYWZVSDZ-INIZCTEOSA-N 432.481 1.763 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 811453998 VGUPHWNFIGLPDP-QZTJIDSGSA-N 430.480 1.980 30 10 IDEE C#CCN(c1nnc(COCc2ccccc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812287690 ZPCDBOZRNLTSPM-VQTJNVASSA-N 444.557 1.801 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)cc2C1=O 916817069 OBJFPEJURYYBLZ-UHFFFAOYSA-N 439.449 1.472 30 10 IDEE C=CCN(CC(=O)OCC)C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1137617129 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Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)cnn1C 1510492176 ACSRSSXDHPNJSV-CQSZACIVSA-N 442.549 1.487 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1OC 1518129588 FWDNOGWJCCUJEI-PUCZYUMASA-N 431.468 1.944 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@H]1O 1520646051 WUIDVFQNEBXCOO-XLIONFOSSA-N 428.537 1.514 30 10 IDEE COc1cccc(-n2cc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)nn2)c1 1521797481 ZKXRAXMZMMIOQQ-UHFFFAOYSA-N 426.458 1.720 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)C1 1536709673 WNEZALFXNSWXSA-UHFFFAOYSA-N 426.516 1.247 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCN(C)C 1538973947 QEWPCJLVSJRGQZ-INIZCTEOSA-N 447.609 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 1540861835 ILHCDBUIYYKFHZ-UHFFFAOYSA-N 431.585 1.375 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1540863280 SMFHPHCVDCEUNN-LJQANCHMSA-N 445.612 1.618 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H]2OC)C1 1540883625 CIGQMWRZIHFPSW-YLFCFFPRSA-N 427.571 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1540905697 YYXHMGYYYNZGGG-UHFFFAOYSA-N 440.520 1.252 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1540911415 SEJARIRWMQQTBC-OAHLLOKOSA-N 439.549 1.507 30 10 IDEE CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1541092707 UVNHVCBCJZCVSH-MRXNPFEDSA-N 425.541 1.574 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)c1 1543260416 OKQNIYJATJJZDN-UHFFFAOYSA-N 426.560 1.370 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)cc1 1549161883 PJQQAMDPVXXZEY-GOSISDBHSA-N 444.513 1.155 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1552900098 DIZCWSCCLHMADS-OLRZCDJHSA-N 433.559 1.351 30 10 IDEE CO[C@@H](CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1554621892 ZUASSAJDPQZHTP-FZMZJTMJSA-N 442.398 1.702 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1556782715 QKWHSFNDQRNJIM-UXHICEINSA-N 443.525 1.607 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)cc1 1557550168 GWEKJRGHYONUKT-LJQANCHMSA-N 427.526 1.611 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](c4nccc(C(F)(F)F)n4)C3)CC2)o1 1560186133 JLPWMNCCVUYIOJ-AWEZNQCLSA-N 449.437 1.802 30 10 IDEE Cc1[nH]nc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1I 1570848453 LBJKCTVUFAMBJL-UHFFFAOYSA-N 444.254 1.748 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1CCCO 1587667987 PYQSNZOQSADVDQ-IRXDYDNUSA-N 430.578 1.574 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1587898299 NHXGLRNPBXJELK-NEWSRXKRSA-N 443.552 1.990 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1587904982 RPODXQZPDYPBHN-UOVPBQLFSA-N 438.532 1.073 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1588075058 WQNZIFUJVHPIGB-SFHVURJKSA-N 432.546 1.829 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1588550346 OGOLFMQUKKXZNX-QGZVFWFLSA-N 443.508 1.251 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC(=O)N1CCOCC1 1588672129 ATTHOAPBBYFEAU-UHFFFAOYSA-N 436.516 1.226 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCS(C)(=O)=O 1589481898 DLLZPRCROWTLHF-STQMWFEESA-N 437.360 1.392 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1595805678 SDRJKMGJODTPPP-UHFFFAOYSA-N 438.642 1.436 30 10 IDEE CN(C)S(=O)(=O)C1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1596280681 UEZRNIBUCXHPPW-HVEKOLDVSA-N 440.566 1.313 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1596799452 PDBTZMHFHDKFCG-XOBRGWDASA-N 430.534 1.423 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597268248 BDZPCYFVOMXVJZ-QIEZACGCSA-N 441.536 1.110 30 10 IDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1608104731 SMQJQALXWKLYTD-UHFFFAOYSA-N 436.530 1.357 30 10 IDEE NC(=O)[C@@H]1CC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)=NN1c1ccccc1 1611648763 IIGIMXDYQVMLKV-SFHVURJKSA-N 435.440 1.011 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)CC1 1615993070 DQGGYCAJSHFDMV-GOSISDBHSA-N 428.493 1.757 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1624906392 IDBRFZHRYYSROI-GOSISDBHSA-N 429.908 1.777 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(C(F)(F)F)oc3c2)CC1 1625889238 BRSNYTRHHMXWPP-UHFFFAOYSA-N 431.396 1.464 30 10 IDEE N#C[C@]1(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C[C@H]2CC[C@H]1C2 1628718092 MPJSSOYXBBMXMG-WDUKFBBWSA-N 430.530 1.841 30 10 IDEE CN1C[C@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)N(C(=O)OC(C)(C)C)CC1=O 1631965018 VYHUSXFSWRLEAK-ZHRRBRCNSA-N 427.505 1.543 30 10 IDEE CN(C)CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1635120826 YWFIHYYCFATUIZ-CVEARBPZSA-N 430.571 1.151 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304340 LUQSIMLTZLLHHZ-SLBVQIDZSA-N 440.418 1.836 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCN3C3CCCCC3)CC2)cc1 1636997970 FQCCEMAZWKSODP-HXUWFJFHSA-N 445.589 1.981 30 10 IDEE Cc1cc(F)c(C#N)cc1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1637392521 XSAYZFXHLMPFGM-UHFFFAOYSA-N 425.463 1.326 30 10 IDEE COc1cc(OCCN(C)C)ccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1639164196 VSZZMRRFKABREW-UHFFFAOYSA-N 446.529 1.998 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)N2CC(C#N)C2)c1=O 1641610246 PBQYFEBUNIAMRT-UHFFFAOYSA-N 425.283 1.731 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)C(=O)OCC 1642682840 HYNFXIMELGXTSF-VNQPRFMTSA-N 432.926 1.213 30 10 IDEE C[C@H](c1ccccc1)N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1656779004 ODXFVSOBKBJOMB-OAHLLOKOSA-N 426.473 1.443 30 10 IDEE CC(=O)N1CCC(NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1659328885 GYVMJPISPYUSKA-UHFFFAOYSA-N 435.532 1.197 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)CC1 1660434684 QUCLRUUFGVOYFP-AVRDEDQJSA-N 437.585 1.030 30 10 IDEE C#C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)C1CCOCC1 1663235946 SWLGLRKLWATJEP-UFYCRDLUSA-N 436.530 1.370 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)nn1 1663990648 DEJONWUUTHPUJR-UHFFFAOYSA-N 439.563 1.426 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1 1670882090 CGYWOOGAJFOLLF-CQSZACIVSA-N 427.489 1.810 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)NCCn2cnc(C#N)n2)CC1 1682196692 GDVUEWFMLLIFNZ-UHFFFAOYSA-N 434.545 1.172 30 10 IDEE C#C[C@@H](NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1)C1CCOCC1 1687126325 KTZRNZFKEVKCLZ-SRXHXZOOSA-N 434.533 1.967 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NCC 1689847227 VEMQIHGLVXBDMN-OAHLLOKOSA-N 445.593 1.858 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)NC1CC1 1690017726 KINDDAQNLUCNNS-UHFFFAOYSA-N 446.559 1.584 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690330200 CSDJEOMFPLCGTF-ZIAGYGMSSA-N 448.886 1.457 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(Cn2ccnn2)CC1 1690674420 ZZHXSVZKBAPIHK-UHFFFAOYSA-N 426.550 1.741 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(C)(=O)=O)C1 1690691606 HLPYZRJLSIUBDC-CQSZACIVSA-N 426.930 1.324 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N(C)[C@@H](C)CC#N)CC1 1690869981 XZKCDYJWGNZROH-HNNXBMFYSA-N 430.582 1.536 30 10 IDEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1693754296 RPAJBJDSIUQEGU-VVQLZHPYSA-N 427.509 1.133 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693759698 LYURXJMNYXGKNA-XBEJARPLSA-N 444.536 1.702 30 10 IDEE CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1694364886 AZCNGFFVBMDAAY-MRXNPFEDSA-N 425.493 1.474 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1696676340 LGEFOVKZINZEFZ-GOSISDBHSA-N 432.550 1.572 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1696808016 WPVMMXSHRTUZHK-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE COC1CCN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1697668211 GNODEYSYHGIYIL-QFIPXVFZSA-N 447.559 1.732 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705538457 PHWLHQPZHPMRLN-JOCHJYFZSA-N 449.559 1.163 30 10 IDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCS(C)(=O)=O)CC1 1705637798 MFVQCURDGYDSOC-UHFFFAOYSA-N 440.573 1.627 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC[C@H]1C 1705938711 HSRFLGRWDZEMIO-PMPSAXMXSA-N 430.596 1.545 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(F)CCC1 1706887590 NQAVXTLXLQOLGO-ZBFHGGJFSA-N 439.561 1.347 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1711019488 FAJOAGORKIGAHX-KRWDZBQOSA-N 444.561 1.713 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1NC(=O)CC1(C)C 1711072897 MQNKUIDVFCFGHF-GOSISDBHSA-N 435.532 1.937 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCS(=O)(=O)C1 1712630511 USONSHAIUGXBDU-BZSNNMDCSA-N 437.566 1.567 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722360239 FLKJECQGNJDUJH-OAHLLOKOSA-N 428.543 1.780 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCO2)CC1 1722443135 CZXPDZQZQAQIEX-XXBNENTESA-N 445.564 1.465 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1722641128 XWUKDKPNFNHFJT-CVEARBPZSA-N 425.530 1.870 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722689881 BGJUXLVHBAXXSB-MAUKXSAKSA-N 444.511 1.964 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722699307 FZZLOEGAUGVAOP-NRFANRHFSA-N 446.458 1.480 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)C1 1722710523 KJFVYXNQFNKUQH-OCCSQVGLSA-N 441.583 1.072 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)(C)C)CC1 1722729074 WQSDZVFEBQGDDS-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)C1 1724004352 RLSIUGMJFZRTGN-FQEVSTJZSA-N 429.912 1.982 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1727643884 BTPWJDGZUGJUBY-UWJYYQICSA-N 428.493 1.546 30 10 IDEE COCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1730783226 LORUILSAARJHKG-IGGDJGDASA-N 431.541 1.085 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCN1CCCS1(=O)=O 1740557111 LGYFBGWMBZTOOT-SFHVURJKSA-N 431.562 1.967 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740574360 HQYVTGVDEWNNKJ-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC1CC1 1740599292 WYVGFLIBWBAAHI-UHFFFAOYSA-N 449.964 1.756 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740621278 KRQICTYEEKDUGE-OKZBNKHCSA-N 429.546 1.639 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1740627005 DNBMTCYKYHUMKW-LJQANCHMSA-N 446.573 1.717 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1740639218 SXCUMLZWIMSZCY-UXHICEINSA-N 426.542 1.511 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740696750 FEUMBSDMOMSKPI-LJQANCHMSA-N 442.514 1.817 30 10 IDEE C=C(C)COCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740799878 ZDKUGVFELOAIFL-IBGZPJMESA-N 428.555 1.146 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740873412 AFYIZLGGUOZKQU-MRXNPFEDSA-N 426.525 1.629 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)nn(C)c2C)nnc1[C@]1(OC(C)C)CCOC1 1740964520 DMZMKKLPHPYPSE-QFIPXVFZSA-N 445.568 1.608 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740976944 ANXAFBRZNFCUCL-MSOLQXFVSA-N 435.488 1.586 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740978176 PHHSFLBCYWMEBM-MSOLQXFVSA-N 440.504 1.723 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1748751563 IVVMYCWWBNVEIS-PCCBWWKXSA-N 442.608 1.822 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1748756307 JEDYCWMOVUBHRZ-SIKLNZKXSA-N 435.576 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCCCC2)CC1 1749019187 NQPTUVVNAJMTII-LJQANCHMSA-N 442.564 1.498 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H](C)O1 1749576995 JORXSOIZFVDQAK-NSISKUIASA-N 443.504 1.384 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1749681030 VSQQCJHASKBDTB-UHFFFAOYSA-N 446.939 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CC2CC2)CC1 1749737244 ZZALWJGWDKKPCI-UHFFFAOYSA-N 430.578 1.397 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749756177 UHKPNFFFBFKYRL-INIZCTEOSA-N 443.577 1.522 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1750060041 CYPMMQZXLBTLCT-MGPUTAFESA-N 430.513 1.068 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760190064 XTNZYLFUMHDSSN-QYZOEREBSA-N 438.594 1.860 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(F)(F)CO1 1760197109 QITPTIPOHCMWDS-INIZCTEOSA-N 434.468 1.846 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760284677 QWUMTHDPZHCXJM-QGZVFWFLSA-N 448.618 1.396 30 10 IDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1760347365 UHLZLUMFWZHGBA-LJQANCHMSA-N 425.581 1.919 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760376507 RYCTUGLGTSEVHO-UHFFFAOYSA-N 442.951 1.857 30 10 IDEE CCn1cnnc1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1765356786 GLJVRCFIPUHZGZ-FQEVSTJZSA-N 426.456 1.967 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1768809386 NKJPELIMIOLAOM-APFMSCDFSA-N 438.488 1.705 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1769290429 AVVDMSKJWQTKCR-QAPCUYQASA-N 430.484 1.770 30 10 IDEE C=CCN1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851707890 DFKGDLCSHIVUDW-QFIPXVFZSA-N 438.553 1.778 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 1853145287 XGYXDQIRWHIBNF-RTWAWAEBSA-N 437.544 1.727 30 10 IDEE CC[N+]1(C)CCC(N(CCn2nnc3ccccc3c2=O)C(=O)c2cnc(C#N)nc2)CC1 1853518568 YILDWOSAWMQUSE-UHFFFAOYSA-N 447.523 1.224 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)C1 1853779719 FITLSPQPKAKOIS-UHFFFAOYSA-N 433.873 1.894 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1C#N 1853938958 DHRPRPDSMLWOCQ-PMACEKPBSA-N 429.542 1.755 30 10 IDEE C=C[C@H]1CCCCN1[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855411569 HSBBCOONIOFAMD-RDJZCZTQSA-N 431.514 1.389 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)n1cncn1 1856995231 PZEHHOHSXHVFJM-GOEBONIOSA-N 429.502 1.684 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)Cc3cnc[nH]3)sc2c1 1866031892 VTLFFYUHGIZVEH-HNNXBMFYSA-N 446.558 1.891 30 10 IDEE CCOC(=O)C1CCN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868782235 FRERZOFTJCIPNR-SFHVURJKSA-N 446.573 1.943 30 10 IDEE NC(=O)C1CCN(C(=O)[C@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)CC1 1869929484 ICWHNCSAJFGXPC-GOSISDBHSA-N 426.498 1.190 30 10 IDEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870497767 WPOZIJPCRNTRSQ-UHFFFAOYSA-N 430.549 1.513 30 10 IDEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871566262 OHYJHSHIYLNOTD-AWEZNQCLSA-N 430.509 1.456 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)CC2)CC1=O 1872917810 LFPQMHKIGYYAQQ-HNNXBMFYSA-N 430.461 1.815 30 10 IDEE Cc1nc2c(n1CC(=O)N1CCC(OCC#CCN3CCN(C)CC3)CC1)CCCC2 1889281445 HQQOWWIZPHSTSQ-UHFFFAOYSA-N 427.593 1.329 30 10 IDEE C[C@H](C#CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O)NC(=O)OC(C)(C)C 1901977035 UEVOEIWHCIXOCY-ZIAGYGMSSA-N 425.482 1.436 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2022856640 CLDWEHUWTLQGBR-ARFHVFGLSA-N 438.525 1.576 30 10 IDEE N#Cc1cc(I)cc(I)c1[C@@H](O)C(=O)O 2060281225 IPHMXAQHYXKIPV-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065457421 WKSVPURVYBVJRK-RHSMWYFYSA-N 434.342 1.876 30 10 IDEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(Br)c1=O 2126911426 PIRXHCZSPXEIDG-QWHCGFSZSA-N 427.299 1.421 30 10 IDEE C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247876025 HRWMDEAYXUGLPU-UHFFFAOYSA-N 432.355 1.881 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248404285 LPDAXPLSSBYNPS-WFASDCNBSA-N 440.371 1.938 30 10 IDEE C[C@H]1[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255545779 VRPCEOFJYANHJW-DZGCQCFKSA-N 434.346 1.847 30 10 IDEE Cc1cccc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255675767 GPFDFLZBULJQAF-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255709712 ZXBPTABLNBAOAC-AWEZNQCLSA-N 438.330 1.927 30 10 IDEE Cn1ncc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824434 IAYRGVYIWPFTNC-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830332 DPZDBTVLDTUFHD-LRTDBIEQSA-N 432.330 1.696 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2255875788 DSEIGLYDBHBJKH-CYBMUJFWSA-N 435.334 1.244 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)n1 2267113656 XCSLQHJDKNFJMF-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267177416 NFWXPEUEZSYHBO-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE Cc1ccnc(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513370 NTWBHARQHPPRSN-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2269063524 JCVFQGTUULVLGE-MRXNPFEDSA-N 443.309 1.428 30 10 IDEE Cc1c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2270597264 GLAZMXMIINTIAI-UHFFFAOYSA-N 444.263 1.311 30 10 IDEE C[C@H](F)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284396881 GKIJTWJCBOCKMA-OIBJUYFYSA-N 427.712 1.790 30 10 IDEE N#Cc1ccc2c(c1)N(S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)CC2 2286028561 HFNVGSURMXLQBZ-QGZVFWFLSA-N 429.454 1.630 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(F)cc1C#N)NC(=O)OCc1ccccc1 2286039089 MEKVOIRTZAKTKR-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccncc2)c(C)n1 2296610028 KTFXULDRYYJNEC-FQEVSTJZSA-N 437.500 1.632 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 105723077 LFTTYMNLFVPALF-UHFFFAOYSA-N 427.530 1.539 30 10 IDEE O=C(O)COc1ccc(C=NNc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 254513595 FQGNBMMZVHUUEW-UHFFFAOYSA-N 441.492 1.608 30 10 IDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 410390281 QJMSRTVOEZYEAP-CYBMUJFWSA-N 449.360 1.853 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CC1 437007541 ZPRCVBUMJODIPB-UHFFFAOYSA-N 434.499 1.453 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)cc1F 440382397 RVDPUWRQSLLYTO-UHFFFAOYSA-N 441.481 1.840 30 10 IDEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473442640 QRMKGOZUVHYGMA-DOTOQJQBSA-N 433.873 1.917 30 10 IDEE COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(F)c1 481776929 IUDBVNWUNYNLFE-YOEHRIQHSA-N 447.488 1.512 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 484482968 FQNODQXUEJQASJ-IBGZPJMESA-N 439.468 1.828 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]2CCCO2)c1=O 512726639 ZTMQQTSSTPXUPX-MRXNPFEDSA-N 428.558 1.814 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2COCCO2)n1Cc1ccccc1 517063595 RKFZRTSFMHBSCK-XLIONFOSSA-N 446.515 1.791 30 10 IDEE CC(C)c1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@H]1CCOC1 559200443 NOYBHFHDUQSLGX-QGZVFWFLSA-N 444.561 1.821 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC2)CC1 569749003 DKKOQHKELSJSBY-SFHVURJKSA-N 430.516 1.894 30 10 IDEE Cc1csc([C@H](C#N)C(=O)CSc2nnc(CCc3c(C)nc(O)n(C)c3=O)o2)n1 585191004 BPUPSLZVSSARCQ-GFCCVEGCSA-N 446.514 1.696 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 611644432 FUIHRZZHBIQUQY-APWZRJJASA-N 449.916 1.531 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 669806586 XCIYOSKJGUXXTR-SJORKVTESA-N 425.555 1.050 30 10 IDEE CN(Cc1ccc(C#CCCO)cc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703972457 DIVPICGOUKSLSH-UHFFFAOYSA-N 426.494 1.478 30 10 IDEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cnc(N3CCOCC3)s2)cc1 727974980 RTQHGOYTHHKOSC-UTCJRWHESA-N 437.499 1.239 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1C#N 732562761 JCWKQKWDBNFWDC-UHFFFAOYSA-N 446.536 1.406 30 10 IDEE CCOc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1S(=O)(=O)N(C)C 733887495 DTSWVKSPBKSDMM-HNENSFHCSA-N 436.490 1.191 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NCC1CCN(S(=O)(=O)c2ccccc2)CC1 742398632 WHCLMXJNZCEJKA-UHFFFAOYSA-N 434.543 1.718 30 10 IDEE C[C@@H](c1ccccc1)S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744167241 ZJTMZFLSHAZZPL-KGLIPLIRSA-N 435.527 1.711 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749856279 CZFLATXHECDVPW-HNNXBMFYSA-N 426.542 1.596 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)cc1 755460817 LFXMNMVJXDMZNE-UHFFFAOYSA-N 425.470 1.117 30 10 IDEE COC(=O)c1ccc(NN=C(C)c2ccc(S(=O)(=O)N3CCNCC3)cc2)c(OC)c1 756897853 RRWKCUDVXPBJPU-UHFFFAOYSA-N 446.529 1.912 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 759796402 BEPNJYKAEJNAEN-UHFFFAOYSA-N 440.474 1.264 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN3C(=O)OCC[C@@H]3C1)CCCC2 764443592 ZKYTZRCXPXQCRF-SJORKVTESA-N 441.532 1.883 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2COC3(CCOCC3)O2)C1=O 776742745 PYSYRHJLHPPDBW-HOTGVXAUSA-N 437.493 1.815 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C1 780919224 BNWGWNCWSBWNFT-ZWKOTPCHSA-N 430.505 1.471 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)n1 788815850 ZDCIQKIIUGTDIW-UHFFFAOYSA-N 432.546 1.834 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CC)c2cccc(S(N)(=O)=O)c2)n1 788970900 LBEPFAPAAJCMDM-LJQANCHMSA-N 433.534 1.473 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 790857845 PLGSLIZHYZEPOG-UHFFFAOYSA-N 429.417 1.431 30 10 IDEE CN(CCOC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 791251748 CCNOFZAVFJGZAS-UHFFFAOYSA-N 425.507 1.915 30 10 IDEE Cn1cc([C@@H](O)C[C@@H]2CCCN2CC#CCN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cn1 792870375 HOHGRHURXBAHCV-NEWJYFPISA-N 440.592 1.633 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CCSC2)C1=O 794442077 RSLRDJSOAKBHNY-HZPDHXFCSA-N 449.602 1.290 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 794612201 HQHZURVPJAEAFL-KRWDZBQOSA-N 435.505 1.639 30 10 IDEE N#CCC1(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CC1 797563748 AWGXOWCWJVNVFL-UHFFFAOYSA-N 442.335 1.894 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)cc1C#N 799255003 AYAYILAPMFPURQ-FQEVSTJZSA-N 436.468 1.740 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 813563534 LBSRELREUUSNDF-GXFFZTMASA-N 441.435 1.693 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2cccc(C#N)c2C)c(N)n(Cc2ccccc2)c1=O 1116940810 RNFVBEQSOSSTRB-UHFFFAOYSA-N 446.463 1.880 30 10 IDEE COC(=O)[C@@](C)(NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1178585097 FYMHTAGFZIFZGO-SFHVURJKSA-N 449.261 1.178 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 1183510885 HZKDFUPUWXEABT-UHFFFAOYSA-N 448.589 1.565 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCCOC)cc1 1286298703 NUEYTINGSTXPRU-PXNSSMCTSA-N 446.573 1.849 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccs1 1286414885 FHEQISFEYATFOO-WMZOPIPTSA-N 427.530 1.566 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1286415984 UFKMVKGQRQSNHW-CALCHBBNSA-N 439.524 1.198 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286505422 ZLKWYMCYNVKVTI-JYJNAYRXSA-N 448.593 1.945 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286787134 PBDYMKKQAZQTDL-UHFFFAOYSA-N 441.517 1.077 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286825306 OYRUSAXNOOTOIK-IAGOWNOFSA-N 440.566 1.505 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)C1 1296165456 ANFXPABVVVHCTK-JQWIXIFHSA-N 430.383 1.947 30 10 IDEE CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1296174174 PFVMIEZRDHWSGF-JXPGLKHUSA-N 429.525 1.186 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@H](C)C1 1300310927 QCIIEMQMIWDKNU-MHORFTMASA-N 439.582 1.274 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(O)(CC)CC)c1 1300332621 JWAFTCDYJGTHKT-GOSISDBHSA-N 438.532 1.837 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2COCCO2)c1 1300334585 QYJLVYBCUMXRRP-VQTJNVASSA-N 439.516 1.991 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1300464316 ATOZURWNMYCIAY-HZPDHXFCSA-N 439.582 1.895 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1300493462 UQWKRGVURMVVAR-CZUORRHYSA-N 435.575 1.994 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300498499 KPDGNZMSDDZUMY-RLLQIKCJSA-N 443.573 1.706 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC[C@@H](C)C2)CC1 1300681599 VMERXNQCIOTABD-HXUWFJFHSA-N 429.613 1.684 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCC(F)F)CC1 1300700448 PMHMSABRUPPCAZ-QGZVFWFLSA-N 432.475 1.624 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)N2CCCC2)CC1 1300722069 HCKFPFSASDJOME-RTBURBONSA-N 441.580 1.069 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300776008 DMSYRQZBALWVJF-INIZCTEOSA-N 430.509 1.576 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCC(N)=O)CC1 1300863860 VJDBYYQHHGWTBH-MJGOQNOKSA-N 432.569 1.879 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301042950 ZNCQZWWUFZIKAN-CRAIPNDOSA-N 429.974 1.234 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1301451384 NVNDAVBWCVZHAQ-NRFANRHFSA-N 430.509 1.923 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301492803 ODJYZJNLGJBNHB-IAGOWNOFSA-N 440.548 1.937 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1302031788 ZHHCBTQODHSDTI-UWJYYQICSA-N 437.564 1.470 30 10 IDEE COc1ccc(Cl)c(-c2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)on2)c1 1305589768 LRWCVFISAXRPDH-UHFFFAOYSA-N 427.804 1.835 30 10 IDEE CN(C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1314658587 DQBDZOCUTJCJNU-OLMNPRSZSA-N 442.586 1.059 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 1335693419 NXUWTVYUTAOJJJ-KPOBHBOGSA-N 430.505 1.926 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1Cl 1357182307 GOBQFPDPWKXBLN-UHFFFAOYSA-N 430.877 1.630 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358965373 UASHUOHJSTZMPW-LJQANCHMSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@@H]1CCOC1 1358988770 BZJIGMXXAPJGNB-OAQYLSRUSA-N 446.515 1.579 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cc(C)cc(C)c2)CC1 1359028864 HDBKXDYKXHKAEB-LJQANCHMSA-N 444.605 1.503 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(=O)NC)c2)CC1 1359034179 GRNACGYEKZNYEC-UHFFFAOYSA-N 429.528 1.812 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncnn2C(C)(C)C)CC1 1359386435 CWUCBDBILMTARX-UHFFFAOYSA-N 433.520 1.880 30 10 IDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)Oc1ccc(C#N)cc1I 1436072895 GTQPXJLUUKQWOJ-UHFFFAOYSA-N 443.222 1.884 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCc2nc(Br)ccc21 1461344353 IIMIJVGKOCUACT-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 1471745235 AANBSDLAGRVNES-QAPCUYQASA-N 442.497 1.709 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)NC1CN(S(=O)(=O)N(C)C)C1 1476729500 MBSZZHPWXPKOCE-UHFFFAOYSA-N 433.328 1.626 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1478861620 SBMFADXDISPZGF-HNNXBMFYSA-N 444.488 1.764 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1496309019 OFHXJBOYLMEYBY-KRWDZBQOSA-N 437.548 1.378 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1499881603 SOMXXLVZYFGREZ-LJQANCHMSA-N 448.535 1.779 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1502913805 CSYIGLNKOGKWBB-ROUUACIJSA-N 443.504 1.790 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1504720039 CIGDTQOXRDKFKW-DNVCBOLYSA-N 447.499 1.599 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@H]1C 1507622948 PCTNQAUDFIBIPV-KURKYZTESA-N 432.569 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCC2(F)F)CC1 1507722163 QKOWOWGUTNCRTC-HZPDHXFCSA-N 444.552 1.469 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2ccncc2)CC1 1507739606 JJDWIUIMHVREFR-UHFFFAOYSA-N 429.528 1.867 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1507770415 LTLYYOQIINMDCZ-JOCHJYFZSA-N 445.589 1.955 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1508080276 MZRCBFRULDAGOY-MRXNPFEDSA-N 438.492 1.727 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508118459 RFRGCKUPFYPARY-IAGOWNOFSA-N 427.509 1.011 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1509953807 NVUQNGJCFMSBAQ-SOLBZPMBSA-N 446.581 1.621 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCOCC2)cs1 1511547720 UZOAFUDHJLTOIN-QGZVFWFLSA-N 431.566 1.473 30 10 IDEE CC[C@@H](C)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1513112342 HVOFRJJIMIORNV-MVZUJROASA-N 429.525 1.409 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1516753855 AQVYBYQIRQNUAV-QFIPXVFZSA-N 426.521 1.127 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccn2)CC1=O 1519205876 GZZNBYKGOPWLNV-UHFFFAOYSA-N 431.500 1.749 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1519285147 ZVYXOQNFZBFRRA-IGGDJGDASA-N 432.525 1.765 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1538000612 RRMZMSQIBXQEFA-MPWIWIEXSA-N 437.537 1.762 30 10 IDEE C=CC[C@@]1(C(=O)NCCc2nnc3c(=O)n(C)ccn23)CCCN1C(=O)OC(C)(C)C 1538131826 OMQRTEIURCLDGZ-NRFANRHFSA-N 430.509 1.433 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1538970138 ADNJWXQXLITWGB-NWDGAFQWSA-N 425.584 1.544 30 10 IDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539190579 NDHMESGJYNQWTQ-SFHVURJKSA-N 431.562 1.423 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1539218594 BADRFGNUXXRORM-MRXNPFEDSA-N 435.550 1.819 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539219784 FJTMJSGGAHRZDF-QZTJIDSGSA-N 432.521 1.986 30 10 IDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539221030 XYUUMVSOCLAIOT-BXWFABGCSA-N 446.529 1.452 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)CN2CCOCC2)CC1 1539441464 PNJMUQCQRQZLEY-LJQANCHMSA-N 426.540 1.808 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1539513302 IFAUEICXHLJGFR-SFHVURJKSA-N 435.557 1.794 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1CCS(=O)(=O)C1 1540747438 AQRKQFRLRFQWGD-QAPCUYQASA-N 433.530 1.943 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540866960 GLXFSHNKHYCCMY-QGZVFWFLSA-N 428.518 1.132 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)C1 1540882675 MUELBNGOBODJAC-QGZVFWFLSA-N 443.577 1.756 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1540901888 SRBAWZPWKNWFMQ-UHFFFAOYSA-N 448.549 1.458 30 10 IDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 1542504480 CGHAXDJXBMDWOA-UHFFFAOYSA-N 435.488 1.844 30 10 IDEE CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1545992331 HQINIDLRWBRGLX-MDZRGWNJSA-N 440.570 1.166 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCC1 1554305328 HLILFDGZMOGAMF-UHFFFAOYSA-N 448.549 1.019 30 10 IDEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1554903557 GRISMASOMPSHLT-AUUYWEPGSA-N 436.513 1.582 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1555690278 RCWZIFDWIFHMEX-PMACEKPBSA-N 427.505 1.864 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1555711947 WMAPZOQSKMOTOY-AZUAARDMSA-N 427.505 1.721 30 10 IDEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1555925467 GAVWODTZPZYUQG-INIZCTEOSA-N 427.534 1.994 30 10 IDEE N#CC1(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1 1557335296 TXAMRRCBEQTMLZ-UHFFFAOYSA-N 432.546 1.500 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(C(=O)OCC)C(F)(F)F)ccc1F 1584883741 LYCLNGJUDKDHIC-HNNXBMFYSA-N 426.388 1.904 30 10 IDEE C#CCCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1587894019 MMWVCFBJWOFSOO-KNQAVFIVSA-N 428.537 1.754 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)cc2c1 1588574787 SCFMLOPMODAWRU-MRXNPFEDSA-N 444.561 1.812 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC#C[C@@H]1CCCCO1 1606802479 RFEJSHPNBWPUPU-MAUKXSAKSA-N 440.949 1.562 30 10 IDEE CC(C)OCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1611045257 MBUCBSCPEBOYMU-INIZCTEOSA-N 437.504 1.736 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1611740256 CMWKQGXOZAMXEU-JTQINKHRSA-N 431.468 1.826 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1=CCCOC1 1613588692 QHMRLDCSBYQCEZ-IBGZPJMESA-N 427.553 1.720 30 10 IDEE COc1ccccc1CNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccccc3)S[C@@H]12 1614586265 OTUUTASEVLSLNQ-JVJLKXRTSA-N 427.526 1.814 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1616914153 PWHPWLDBRABIBX-INIZCTEOSA-N 433.463 1.832 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(O)cc1 1616922640 HMJPSFWAXPAGCY-MRXNPFEDSA-N 434.504 1.945 30 10 IDEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCC1 1617045874 HDXSELVVZFSBLR-KXBFYZLASA-N 442.561 1.927 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1617443944 OYTLAGIKGKRERS-WCMFBIDSSA-N 442.545 1.212 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1618853024 IBRBIRBSFRNELS-KRWDZBQOSA-N 446.533 1.098 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@H](O)C2)c1 1620150142 DZMMPDCUOKOEGD-BPQIPLTHSA-N 445.545 1.628 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1625896441 MTAVZNMGTUYFRZ-GGPKGHCWSA-N 440.500 1.508 30 10 IDEE CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)S(N)(=O)=O 1626285729 VLBDTPPCOUZYAF-SEPJKUCUSA-N 444.579 1.675 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c1 1627102933 RVHWDPVURGQDMQ-UHFFFAOYSA-N 433.530 1.130 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](O)CC4(CCOCC4)C3)CC2)cc1 1643363474 MMIJQSAITMVGNK-LJQANCHMSA-N 447.557 1.349 30 10 IDEE C#CCCN(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1646486264 ULWRTVPHNJRWMW-INIZCTEOSA-N 428.938 1.909 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3cc(C(=O)OC)ccc3C2)cc1 1647823874 ILCSVVGYDRZAGF-UHFFFAOYSA-N 428.466 1.420 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1647999000 WUEQMJWBKBGDJD-OALUTQOASA-N 442.516 1.974 30 10 IDEE C#CCN(C(=O)c1csc(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1649381647 AQMFCGJRVWUJPR-UHFFFAOYSA-N 427.548 1.870 30 10 IDEE CN(C)CC#CCNC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1676930510 RUFCUJBQRYJIAR-SFHVURJKSA-N 435.569 1.052 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)n1 1685128133 MBQQGCGBSQSSQT-JOCHJYFZSA-N 449.552 1.700 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1689875568 WAQJLLJPYWCLCJ-SFHVURJKSA-N 434.504 1.831 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1689991254 YZOFNHZPOQWAHC-INIZCTEOSA-N 435.550 1.676 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2CCOCC2)CC1 1690129268 STSISXKFLHJJGC-UHFFFAOYSA-N 443.621 1.500 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1690301092 OUNRWEFUQYQDCC-MRXNPFEDSA-N 426.587 1.156 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690469276 JUXGFGAYZXOOMA-UHFFFAOYSA-N 431.585 1.471 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1690669254 ZGQSGWULBILODW-OAHLLOKOSA-N 434.504 1.715 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1690670033 WTPNCLVGMJFTDD-PKOBYXMFSA-N 437.548 1.242 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690722197 AUESOQIVPQYDJN-HKUYNNGSSA-N 448.593 1.421 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1691512433 DMEACURFIMDMAP-OAHLLOKOSA-N 432.550 1.458 30 10 IDEE CC(C)Oc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cn1 1692589264 HMBFGRFNHITNEK-KRWDZBQOSA-N 448.487 1.885 30 10 IDEE CCOCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1696448794 XMMUQPIYGIZLQT-UHFFFAOYSA-N 426.521 1.412 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC[C@@H]2CCCO2)cc1 1698488228 MXKIQOTZWNFHTD-IBGZPJMESA-N 429.546 1.971 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705531122 YTUVVIJXTOEXJC-GOSISDBHSA-N 440.533 1.348 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nnc3n2CCCCC3)CC1 1705652959 TZGDBTQSWDSSIQ-UHFFFAOYSA-N 440.552 1.147 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2)CC1 1705935802 DFGZCUSNZUZQRD-GOSISDBHSA-N 446.573 1.871 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1C(C)(C)C 1705938910 MUYWMQQVYKGHTE-UHFFFAOYSA-N 425.599 1.871 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)cs1 1707761088 FTUJXSGCEPPKQA-SJLPKXTDSA-N 432.550 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(CC)C2CC2)CC1 1722447692 MGCMDAQKVZPDTE-HXUWFJFHSA-N 428.581 1.970 30 10 IDEE C=CCCOCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722628157 XPRJSHCGLKGFKP-NRFANRHFSA-N 437.541 1.800 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722628763 AXWUZGPONRYLRV-IRXDYDNUSA-N 439.582 1.268 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722700267 CUPKDVPQGXUDAO-UHFFFAOYSA-N 425.537 1.450 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1722702087 CWJFQWLNWOUGKD-QGZVFWFLSA-N 438.532 1.794 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(COC)o1 1722702281 MVKSXVKLAFVIID-KRWDZBQOSA-N 442.520 1.784 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1722725732 RFYGXPZLIMTQSV-GJZGRUSLSA-N 430.534 1.618 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1722866933 DKLXNZKQGGWFJS-HNNXBMFYSA-N 428.628 1.841 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1723772915 ODDXVZFKYKQZKN-UKPHBRMFSA-N 427.484 1.451 30 10 IDEE CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727843817 ARDMUZOLSAUYNB-GFUIURDCSA-N 431.522 1.389 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCCn1cc(Br)cn1 1729077852 JFIBNBCJYXGPTP-OAHLLOKOSA-N 438.330 1.983 30 10 IDEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNS(C)(=O)=O 1740601365 AEFKWHDYQWPOAV-UHFFFAOYSA-N 430.559 1.996 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1740710435 XGDLHTPTLGQKDI-UHFFFAOYSA-N 448.574 1.305 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1740719473 GBFZNMKAPOAARM-QGZVFWFLSA-N 427.578 1.569 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(C)C2CC2)CC1 1740825513 PCSRRVHUJOEDNP-WMZOPIPTSA-N 438.598 1.250 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740964570 QVMNAWSVIDIBKL-ZWKOTPCHSA-N 442.495 1.546 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1occc1C 1748875452 POYGCNGNUIBDRT-UHFFFAOYSA-N 436.516 1.699 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1=O 1748917285 TUOSASSDPUXRAS-UHFFFAOYSA-N 433.520 1.783 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1748989478 MJCJZJBHGOJQFT-DBXWQHBBSA-N 435.594 1.283 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1749489557 YJTUALDFYAADBK-GHTZIAJQSA-N 447.561 1.067 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1749597191 ARQKIPWRRAKELP-UHFFFAOYSA-N 432.506 1.277 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1749668758 DRJBFXOEBTUTMY-MRXNPFEDSA-N 444.561 1.498 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CCN(C)C)CC2)C1 1749706365 PFHKIAXSBWTRKY-FQEVSTJZSA-N 440.596 1.790 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749736863 QYJOXIGHOJTBDA-NRFANRHFSA-N 447.536 1.325 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749771948 DDSMHMJPFUOIGI-NHCUHLMSSA-N 440.548 1.779 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(OC)nc1 1750027194 IGRKJHOPSHUDNW-LPHOPBHVSA-N 441.536 1.631 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1751284842 KYTRIUGGSCTLQC-CVEARBPZSA-N 425.449 1.497 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760188195 NGIBLOGINGLABU-RTBURBONSA-N 436.578 1.616 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CCCS(C)(=O)=O 1760311141 SPOOJNOEIFOPCZ-UHFFFAOYSA-N 434.360 1.180 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760360800 MXYBUQXLXWMPGD-ZWKOTPCHSA-N 439.582 1.727 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2)C1CC1 1760469446 BLHRFZXWTYVZDO-CQSZACIVSA-N 433.534 1.863 30 10 IDEE CCN(CCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1765218605 XZAFXFCNMCUIIM-MRXNPFEDSA-N 438.579 1.331 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766747906 VGICAQHQMOAKEV-BJLXPSRBSA-N 430.534 1.823 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767224407 JXEGVFCYPMBXKC-GFGLJSBJSA-N 444.536 1.704 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccnc1OC 1771218884 GKLMCIYUPAONNO-APWZRJJASA-N 441.536 1.631 30 10 IDEE C=CCN(C(=O)Cn1cnc2c([nH]c3cc(OC)c(OC)cc32)c1=O)[C@@H]1CCN(C)C1=O 1850410509 UISWGOWBNJICDH-OAHLLOKOSA-N 439.472 1.140 30 10 IDEE COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C)C(=O)N3CCO[C@H](C#N)C3)cc2)cc1 1851083249 XJDYWNLCLNYBBF-DNVCBOLYSA-N 429.498 1.780 30 10 IDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1856540054 HHKJMSJTEHHAGA-QAPCUYQASA-N 433.505 1.743 30 10 IDEE C=CCNC(=O)[C@@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861747663 DXJDJHOCDXVGBG-MRXNPFEDSA-N 429.926 1.172 30 10 IDEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870451621 SKYVYLAULFXYKH-UHFFFAOYSA-N 427.505 1.479 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870563754 NSVWFCJRKVYWAK-UHFFFAOYSA-N 438.528 1.327 30 10 IDEE C#CCOc1cn(CCOCCO)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870563872 RLYNMEFJYLUSRE-UHFFFAOYSA-N 441.528 1.200 30 10 IDEE N#Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CC(O)C3)cc2)sc2c1CCC2 1872720037 LADHFISQCFVXCA-UHFFFAOYSA-N 433.511 1.491 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(=O)O)cc1 1874338401 VJALAKPZDBERFH-MNPVBQOISA-N 445.501 1.848 30 10 IDEE CCCn1c(C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc2c(=O)n(C)c(=O)n(C)c21 1890560057 NYAARYOWGKXXCX-OAHLLOKOSA-N 436.472 1.009 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1984874474 OOGNVXOMSYJOQL-ZIAGYGMSSA-N 427.498 1.777 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(C)(C)O 1993308261 FVDCNYFADFWYIJ-KBPBESRZSA-N 426.514 1.622 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(C)(C)O 1993308264 FVDCNYFADFWYIJ-ZIAGYGMSSA-N 426.514 1.622 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)O)c(I)c1I 2060282154 DPQVCPPBMWELTK-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248404597 NJSYQVRQULGUOF-WFASDCNBSA-N 440.371 1.938 30 10 IDEE C[C@@H](N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)O 2255866656 TXHRPLWYQDRTPD-OAHLLOKOSA-N 428.342 1.916 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2267143555 JLXPMFZANFIAIE-UHFFFAOYSA-N 440.353 1.466 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 2267187696 BOIOXDLJGNWYNE-SFHVURJKSA-N 435.337 1.569 30 10 IDEE COCCN(CCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267270519 MILXMDHYPQCXAS-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2267497519 MHBYOPHMIJKWCS-AWEZNQCLSA-N 445.329 1.304 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)n1 2267575890 KIGNRECVLNXIHN-YEJXKQKISA-N 447.345 1.244 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267612098 YHNIAARHADCGIT-NWDGAFQWSA-N 442.247 1.447 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268638233 RPXGBTCXHRTUHN-AEFFLSMTSA-N 446.353 1.972 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2268979097 HZWHFRQWPFXHEN-MRXNPFEDSA-N 441.293 1.566 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@]3(C(=O)O)CCN(Cc4ccccc4)C3)[nH]n2)OC1(C)C 2269050868 VKJXLRWMZZZVRE-JOCHJYFZSA-N 440.309 1.168 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)O 2269075213 VANSBBRYUAOYSZ-KBXCAEBGSA-N 443.309 1.508 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2312856368 JEYIUFSIKIBTJP-AEGPPILISA-N 430.314 1.513 30 10 IDEE COc1[nH]c(=NC[C@H]2CNCCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2339787573 BWCDJVOSWBUFLJ-LJQANCHMSA-N 438.381 1.697 30 10 IDEE COc1nc(OC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339829891 SXYUOWWENLHBLE-UHFFFAOYSA-N 449.313 1.243 30 10 IDEE CCOc1cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc(Br)c1O 169883754 GZSYYBJTUPVUNI-IDUWFGFVSA-N 443.279 1.693 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN([C@H](C)c2ccccc2)CC1 465480663 WWOTUFXUDGRMDM-WOJBJXKFSA-N 433.560 1.764 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 476761371 URXHZLMUWDOCGK-SPLOXXLWSA-N 447.488 1.959 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 482157850 NTXLKFJMOFCVMP-KUHUBIRLSA-N 444.488 1.628 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482562779 USSLIBOEEGUETB-AWEZNQCLSA-N 442.566 1.441 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 513008158 BTMSRNMAPBKTMY-HXUWFJFHSA-N 434.949 1.715 30 10 IDEE N#CCCN(CCC#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 521493384 COZAGEOPONMBOC-UHFFFAOYSA-N 441.307 1.458 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)N3CCC[C@H](C(=O)OCC)C3)cc2C1=O 522423171 NGCXYMCMCUJJAB-INIZCTEOSA-N 441.484 1.342 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CC1 544636267 XPQRWACNDPTYJB-CYBMUJFWSA-N 442.497 1.116 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)cc1 549964834 QIZREXVZEQQXAZ-KRWDZBQOSA-N 435.465 1.394 30 10 IDEE C=CCOC[C@@H]1NC(=O)N(c2cc(I)cc(C(=O)OC)c2)C1=O 552776732 HZRCLOAAKLAXJT-LBPRGKRZSA-N 430.198 1.705 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3c2OCO3)c1=O 603991049 SBCSWMKOGVQISU-UHFFFAOYSA-N 447.516 1.964 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)c1 604001318 LEOPFFDKENBXPF-UHFFFAOYSA-N 442.500 1.561 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(C(F)(F)F)CC2)CC1 726224047 AFHJYULAYHYAIB-UHFFFAOYSA-N 445.419 1.277 30 10 IDEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn3ccccc23)c1=O 729670537 VKOMGZYNDKFRBH-UHFFFAOYSA-N 430.489 1.972 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CCN1C1CC1 732706069 DJKAFXYSLVAYFA-NRFANRHFSA-N 449.486 1.893 30 10 IDEE CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1 742246291 UIRNFSGMILGOLC-ATJXCDBQSA-N 435.594 1.856 30 10 IDEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742393978 XPNJFWUGJGKBSC-CQSZACIVSA-N 431.493 1.494 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 746103026 FBODGOVBUVUUJJ-QURGRASLSA-N 426.473 1.019 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 747336506 DLCICOPPNKHSRV-UHFFFAOYSA-N 442.541 1.882 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 748394521 BOFZVQAJQDYFFA-UHFFFAOYSA-N 432.436 1.397 30 10 IDEE COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2C)cc1S(=O)(=O)N(C)C 748412900 JKMMZMHFFXMDEA-UHFFFAOYSA-N 431.470 1.921 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 749863020 VJHUWAKXNBEKGU-HOTGVXAUSA-N 436.537 1.712 30 10 IDEE CNC(=O)c1cccc(OCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 758835076 FWUQJCMWJILBRI-UHFFFAOYSA-N 433.424 1.664 30 10 IDEE Cn1c(=O)c2ccccc2n2c(COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)nnc12 780175856 KDMLVQMJOXQPNK-OAQYLSRUSA-N 425.445 1.886 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccon3)c2=O)c(C)n1 781664336 QSFFQYZMPUEBJO-UHFFFAOYSA-N 438.509 1.695 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)cc1 787913201 GNDMXNQTCSKZCX-CQSZACIVSA-N 431.480 1.991 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)n1 788820146 RQTCPLFUIODPQJ-UHFFFAOYSA-N 430.530 1.554 30 10 IDEE C[C@@H](C(=O)OCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)n1cnc(C#N)n1 798743020 BOZGDEBNIYTCIS-ZDUSSCGKSA-N 428.474 1.082 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 802582158 DTWHIYJPQMPMFQ-LJQANCHMSA-N 426.521 1.801 30 10 IDEE Cc1nsc(N2CCN(C(=O)C3=NO[C@@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 812271773 SPKUVEFYASMWCI-CYBMUJFWSA-N 434.522 1.641 30 10 IDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c1 813978279 DNYTZIVYMCLUDV-QGZVFWFLSA-N 428.470 1.807 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250470 QQVKNAWYFVALNA-UHFFFAOYSA-N 436.484 1.280 30 10 IDEE CCc1noc(C[C@]2(O)CCCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)n1 856700695 STJMCFORGWMSPT-JOCHJYFZSA-N 437.504 1.692 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2cccc(CC#N)c2)c(N)n(Cc2ccccc2)c1=O 919314367 YIDMJVMSMOSDFH-UHFFFAOYSA-N 446.463 1.766 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 1115889728 DVZQNGXHUTVRPS-GOSISDBHSA-N 426.498 1.520 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(-c3cccnc3)nn2C)c1 1125418913 NXMRBHJFNCFVBU-UHFFFAOYSA-N 429.480 1.969 30 10 IDEE CSc1nc(O)c(C(=O)N2CCn3ncc(I)c32)cc1C#N 1129002053 XTBGOBNRMHXRJT-UHFFFAOYSA-N 427.227 1.842 30 10 IDEE CC(C)O[C@]1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 1134170563 NSTQSDCMNVYQOV-NRFANRHFSA-N 435.546 1.659 30 10 IDEE Cn1nccc1[C@@H](O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1148573480 OVXFGTMPTPOXHV-IBGZPJMESA-N 431.518 1.198 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C(F)(F)F 1155628782 KCBVIQVVDLAVJE-VBMPLNBNSA-N 446.426 1.817 30 10 IDEE CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1175401338 UWMZMSNLCJLJBZ-SFHVURJKSA-N 442.520 1.842 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCO[C@H](CC(N)=O)C2)cc1 1196638171 GVAIRLMKHNXBBX-GOSISDBHSA-N 425.489 1.489 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)C1 1233850723 CUXWQGBVEJCYHP-DOXZYTNZSA-N 426.539 1.356 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CN(C(=O)OCc3ccccc3)C2)n1 1251808956 DURNNUQAPOBOLU-UHFFFAOYSA-N 425.489 1.695 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286383972 FUKUHWQTJTVZFM-MRXNPFEDSA-N 442.607 1.027 30 10 IDEE CC(=O)NCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1286953026 VGZWXTOOLAQZPQ-RDJZCZTQSA-N 449.556 1.851 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1288672667 AOVOWNFNJAQBAI-HTAPYJJXSA-N 439.495 1.891 30 10 IDEE Cc1nc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CCO2)no1 1290381777 DGDGIYYEDQEBPT-QGZVFWFLSA-N 436.476 1.564 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 1290439060 HOUZNTAFONDJGC-ZDUSSCGKSA-N 437.884 1.607 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1291248208 NVBDURZPENHGDF-YLEKHRKWSA-N 430.509 1.661 30 10 IDEE CCC[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293897654 YHWKLVLXISZXLS-UHHPSXQGSA-N 429.525 1.665 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1300391026 DJAWTTQFFGBJKS-KRWDZBQOSA-N 429.546 1.724 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300503988 HTANEGLPNVNOPL-SFHVURJKSA-N 446.573 1.953 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300601641 JQKOXQVNVJVYMH-BXWFABGCSA-N 425.555 1.076 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1300631067 KZYOWJNWPVKUQO-HOTGVXAUSA-N 441.623 1.602 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1300652661 CUCGFVYGKUAHTP-VGOFRKELSA-N 433.553 1.319 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1300718116 BGMMCTPGKHSJBN-UHFFFAOYSA-N 447.543 1.555 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2(N(C)C)CCSC2)CC1 1300725003 FIUSEHMVCFZVHL-JOCHJYFZSA-N 432.638 1.880 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1300731151 DAAVKIFVMJFVIH-GOSISDBHSA-N 445.593 1.501 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1300873365 JAQDUTCGNIIOKP-TVFCKZIOSA-N 440.614 1.400 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1300892021 PRKMLNDCXQJPPK-IEBWSBKVSA-N 425.599 1.977 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1301519057 MBTGERFCIAAJDB-MRXNPFEDSA-N 428.562 1.883 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(-c4cccnc4)n3CCOCCCO)CC2)c1 1303000522 OYKCVUREZPASNE-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1303635830 JGPHWDKGZPICNT-FPTDNZKUSA-N 434.504 1.409 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3c(cccc3C(=O)OC)C2)cc1 1304224123 UNLDPSKPXXDWSF-UHFFFAOYSA-N 430.482 1.972 30 10 IDEE CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1307674260 DSYGVINIQBQRAE-SFHVURJKSA-N 425.526 1.764 30 10 IDEE C=CCN(C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1310012124 QIORNKHLFKISBG-OAHLLOKOSA-N 427.523 1.771 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C[C@@H]1C 1316129826 RVMSCWPAZSSGJN-RXVVDRJESA-N 440.548 1.779 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCSCCCO)c1 1316529016 LNKDQFRHNMFVBL-NRFANRHFSA-N 426.546 1.791 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1321164116 VQSKFLSFGSQCEW-SFHVURJKSA-N 428.489 1.664 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cnn1CCC#N 1353577591 QAJGNXRCXQDNKK-UHFFFAOYSA-N 445.501 1.023 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1358930316 SHSNOYJXAVOJCH-HNNXBMFYSA-N 433.500 1.668 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(F)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358957356 TVAZAWGYXVNSBX-IBGZPJMESA-N 447.536 1.237 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1358978853 WLLLKTJZNUAORF-HXUWFJFHSA-N 425.558 1.363 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1359021407 NTCQEODNBIXAEE-KRWDZBQOSA-N 444.446 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1359041788 IQEUWJMUNYVHGP-UHFFFAOYSA-N 446.540 1.991 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)=O)CC1 1359059767 ZIMJKKVVNKXCGU-UHFFFAOYSA-N 437.573 1.942 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359143036 SNUQOBOQVOIQAD-KBPBESRZSA-N 432.978 1.382 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CC1 1359332096 PCYOFXOMOFSOCF-UHFFFAOYSA-N 431.566 1.652 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C 1359335261 GPLMQQXYIRIDHT-INIZCTEOSA-N 425.599 1.917 30 10 IDEE C=CCC[C@@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1449727729 QOQBFJLDXRBOCF-OAHLLOKOSA-N 446.566 1.815 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)C1 1456850187 YXWKRPCPWITALL-OAHLLOKOSA-N 443.305 1.648 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)C1 1466736180 HLICXXWLSIYNQR-ZNMIVQPWSA-N 435.502 1.487 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](CS(C)(=O)=O)C3)C2)C1 1468357899 UEGREQLWCQZLEQ-DQLYFJKKSA-N 425.551 1.666 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCO[C@@](C)(C#N)C3)cc2)C[C@@H](C)O1 1473838007 QFWULKLXSGTAIR-QINHECLXSA-N 436.534 1.037 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@]2(CCOC2)O1 1494252345 HMEGULTZMRANGW-MBSDFSHPSA-N 440.548 1.779 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1503282025 ICLIAXLZALUALT-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CCO1 1503783053 OGIZBBSKAZUSEQ-MJGOQNOKSA-N 440.504 1.107 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1504132351 WHBXEOVNMWNJPC-FCEWJHQRSA-N 429.477 1.231 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1504883317 HMHFTAIPVRZQII-UHFFFAOYSA-N 445.343 1.447 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NC(C)C 1504887556 CGAUSJAGTJBZHY-SFHVURJKSA-N 428.493 1.682 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1507616263 HTQLQOFWCZASNZ-IAGOWNOFSA-N 435.525 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCCN2CCC[C@@H]2CO)CC1 1507737527 AYZYJIFSOANEDW-HXUWFJFHSA-N 428.581 1.358 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507894652 IWJFVYUVGHVCCT-ZPHPHTNESA-N 427.509 1.345 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1516069803 QNUVWBOJXAJAKN-DXQAYGFFSA-N 445.524 1.643 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC[C@H]1COCCO1 1516590421 YXOIKKPKFWQNBU-IBGZPJMESA-N 426.521 1.818 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1516806761 UUFMFAWTOKHDDO-UHFFFAOYSA-N 439.563 1.122 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1516857618 GJNBSLLISCFSHH-HKBQPEDESA-N 436.545 1.702 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1517245321 UBZSNWABRAQTDG-QFIPXVFZSA-N 427.505 1.803 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1528571954 SXAKNIJTUJENLP-LJQANCHMSA-N 428.510 1.990 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1539003793 GLDNYEFLPVJBHH-GDBMZVCRSA-N 427.505 1.956 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1539076100 MBTLSHBLTOUNCF-UHFFFAOYSA-N 435.532 1.615 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539215611 GYQNXOOWEFTFFM-LJQANCHMSA-N 430.578 1.697 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539216709 WEFFWJUQXBBDRG-PKOBYXMFSA-N 428.562 1.309 30 10 IDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539221040 XYUUMVSOCLAIOT-MDZRGWNJSA-N 446.529 1.452 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1539343323 JNDYZGQJIYRFTM-KRWDZBQOSA-N 445.593 1.781 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1539462829 LPEUAJUSISNIKR-KEEVHDRGSA-N 427.574 1.812 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539477800 ZDLIGQJQOXRJEP-SBUREZEXSA-N 442.564 1.136 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539608595 AIKFGNFQOMOMGE-UHFFFAOYSA-N 443.346 1.297 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCO)CC1 1539890854 USZSMVJOPYSZIL-KRWDZBQOSA-N 427.571 1.176 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(F)(F)F)C1 1540867510 YRYBDCUBWPLKEQ-HNNXBMFYSA-N 439.394 1.744 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1541088533 IOQALMQJYLPEFB-DYESRHJHSA-N 437.548 1.500 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCOC1 1548335023 NBZZUAVMKXXDCB-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1565156366 IEZPJYQLPUEDHC-INIZCTEOSA-N 433.505 1.608 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CCO2)cc1 1565331737 QUSINNWWTIHTEY-HXUWFJFHSA-N 435.484 1.074 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2n[nH]cc2I)c1 1585216124 YVXMAQVQJKSIHO-UHFFFAOYSA-N 434.190 1.703 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCS(=O)(=O)C1 1588482292 PPUJDMOHWFSTHF-QGZVFWFLSA-N 440.504 1.949 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595561973 JREOCXMENPFUHD-SJLPKXTDSA-N 430.578 1.390 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1615775370 JNKUARHBQXKXHD-PLJISCLWSA-N 443.552 1.575 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C 1615871681 FEMMPNKQJVGSOY-IEGUWTFLSA-N 440.548 1.799 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)C1 1620346663 FOAKPTIXGJXFKY-IERDGZPVSA-N 441.467 1.197 30 10 IDEE 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N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@@H]2CO)CC1 1643826457 OWUVMJQFXYWLOZ-FGZHOGPDSA-N 444.551 1.788 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1=O 1644087170 FYWAPNNVYJCNEU-UHFFFAOYSA-N 428.464 1.375 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)CNc1ccc(C#N)cn1)OC2=O 1644966143 HFYWEVCQOCBZQB-MRXNPFEDSA-N 443.504 1.814 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1645667300 XWFAHTWJGUCCSY-HNNXBMFYSA-N 445.545 1.398 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3)nn2CCO)s1 1647787055 VBAVBSZCPFVZJU-UHFFFAOYSA-N 447.542 1.644 30 10 IDEE C[C@H](NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(OC(F)(F)F)cc1 1654975431 RPLYEDGOAKODDM-RVSPLBMKSA-N 431.436 1.633 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 1671139424 DTKVIMCCXKFYBC-UHFFFAOYSA-N 436.349 1.392 30 10 IDEE N#Cc1nc(NC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)ccc1Br 1673987778 GFGBLDXCXWQPBI-UHFFFAOYSA-N 436.291 1.953 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ncc(Br)cn2)C1 1681227963 ULVDGXCLSXHCJN-CMPLNLGQSA-N 425.287 1.797 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1)C1CCOCC1 1682887002 DRTBETORLLHHCN-KRWDZBQOSA-N 425.576 1.809 30 10 IDEE C#C[C@@H](NC(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccc(Br)cc1 1684022192 CLWWFBZRPMKYTJ-QGZVFWFLSA-N 442.379 1.932 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1689847562 CEIXOYWFYUTPLI-MSOLQXFVSA-N 449.559 1.497 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1689984945 YVGWAOWPRGAZQI-SFHVURJKSA-N 436.497 1.788 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689988879 XWVMAAPBEYBILK-HKUYNNGSSA-N 445.593 1.037 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689992671 NSMBGHCMSCXCEO-GOSISDBHSA-N 440.529 1.544 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690041900 NDZMOAKVKVDJEA-UHFFFAOYSA-N 443.511 1.010 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(CC)noc2C)CC1 1690113836 WDUDMOPUGZLUJL-QFIPXVFZSA-N 428.537 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccn(C)n2)CC1 1690142799 UQZOGNYDAGJDPH-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1690784654 WJBYEWRLFNWSFH-HLAWJBBLSA-N 438.532 1.661 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1692637749 QGTLPLXBSSJFIZ-BTYIYWSLSA-N 428.493 1.499 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cc1C 1693121768 KXSGWFLFCXRQCU-RBUKOAKNSA-N 440.504 1.682 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1C 1693136421 BFBRIHMOXNSJSJ-IBGZPJMESA-N 436.513 1.465 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(NC(C)=O)c2)CCOC1 1696085046 CLUONYYSPQFXLL-SIKLNZKXSA-N 440.504 1.666 30 10 IDEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1698424859 GUBVXORRQPIACH-IBGZPJMESA-N 435.575 1.556 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705565023 FLRMRLJPRIWXJM-GOSISDBHSA-N 443.573 1.970 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1705596606 JEOPINPNZPCTCE-HNNXBMFYSA-N 427.306 1.898 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1705628706 NDKSOGBLONBUIX-IBGZPJMESA-N 432.546 1.461 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCOCC1 1705629144 YGXUWCIMKRMSRG-IBGZPJMESA-N 428.489 1.418 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CC(=O)N(C)C)CC1 1705633036 HXUVAONCLUPOJQ-GOSISDBHSA-N 440.548 1.660 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC1 1705647986 ONRVHNVYCRDELJ-HXUWFJFHSA-N 434.544 1.746 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705754628 CDUYXYZUQJAXEA-INIZCTEOSA-N 437.953 1.929 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705843352 CTRZSFCCZVQCGR-YYIAUSFCSA-N 427.571 1.437 30 10 IDEE CCCNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1709830830 OVDKUXPKOVFLIJ-UHFFFAOYSA-N 445.531 1.850 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1710362880 ZVCGSLYMSGZNRF-JOCHJYFZSA-N 437.504 1.574 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H](C(F)F)N1CCOCC1 1722354929 ZXZYOYQDZSBXNT-SFHVURJKSA-N 443.502 1.942 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1722382894 JYJMNSOOJRWXQG-LJQANCHMSA-N 442.541 1.478 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1722395970 DTKSGEFLMXDYQV-QGZVFWFLSA-N 430.505 1.861 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(CS(C)(=O)=O)CC1 1722423721 MRFUTFYUNQMUBM-UHFFFAOYSA-N 437.953 1.904 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2COC)CC1 1722450477 JWDSZITYDBKJBV-UHFFFAOYSA-N 425.533 1.975 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722462358 MNRYYZCIOJDXRT-MSOLQXFVSA-N 427.578 1.754 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722467691 BOLWANDRDLKJBE-ABSDTBQOSA-N 439.582 1.276 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1722643384 LITPHHSRGJLOHI-HTXNQAPBSA-N 441.517 1.418 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1722697451 JXBDHMOUALSNOF-SJORKVTESA-N 440.552 1.559 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722702165 FZRWQFFKZSIQDR-CYBMUJFWSA-N 427.431 1.821 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1722729068 WMAXAVHSLJFSCU-UHFFFAOYSA-N 441.598 1.199 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@](C)(O)CC)CCOC1 1728797780 QAQFQEFHKAPEKR-VXKWHMMOSA-N 442.520 1.626 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1OCCC1(C)C 1729065741 PXFQKUJVDHSAKH-GOSISDBHSA-N 442.568 1.870 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)C1 1731178025 CFOXLEMJWJLWEF-NRFANRHFSA-N 431.516 1.795 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1740571497 ZVIBWCDLNBDUQI-LJQANCHMSA-N 449.563 1.881 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740624522 JMLFJPQTMPJLIJ-ZWKOTPCHSA-N 432.546 1.561 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1740626264 WGVAENIDSKSMID-FHWLQOOXSA-N 447.605 1.854 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1740627619 RNHUQACTDTYNQR-PMACEKPBSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1740638026 GMUQVSMKUVYNOL-LJQANCHMSA-N 443.555 1.997 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740710095 REEMSYSDHAZWDF-HZPDHXFCSA-N 439.545 1.539 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)NC[C@H]3C2)cc1 1740965213 FMAVWUSFHMDPPF-KRWDZBQOSA-N 439.520 1.243 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740988806 PWXWLOCLDLUTST-MRXNPFEDSA-N 447.561 1.612 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1741477197 VSKOPQSRPIAPIA-UHFFFAOYSA-N 445.531 1.612 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1741801396 AGJHUVCVHPPLFL-IXDOHACOSA-N 447.565 1.319 30 10 IDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1)OC 1744123616 BAHYIYUTXJMPOT-HXUWFJFHSA-N 439.564 1.888 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1745779995 FCUUFKONIGZSHZ-OAHLLOKOSA-N 432.550 1.861 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1747382171 NTDCQIYPAKLEQB-PCCBWWKXSA-N 441.532 1.988 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1748776573 KJQWCIIJNMMNRJ-UHFFFAOYSA-N 431.562 1.529 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(Cn2ccnc2)c1)[C@H]1CCS(=O)(=O)C1 1748817088 FAMMMJWBHUTMNN-FQEVSTJZSA-N 438.557 1.760 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CCCC1 1748824612 FIEPCEYXQCDINF-UHFFFAOYSA-N 433.578 1.627 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](CCC)OC)CC1 1748986562 BYWYYBZQOMDSNZ-SFHVURJKSA-N 449.559 1.762 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749032239 ZLJHTWGVCARZNJ-QGZVFWFLSA-N 439.545 1.473 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1749132183 ZMYITNBWYSNQQN-SQNIBIBYSA-N 439.582 1.235 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749217981 FPRZOXVOCCOEQF-UHFFFAOYSA-N 446.515 1.996 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749452212 RWLDYNKDQXNRHG-IBGZPJMESA-N 446.577 1.937 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1749465707 WHEGISORMJRTMJ-GJZGRUSLSA-N 442.586 1.910 30 10 IDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749579370 NJFLEJLHIDYZHX-GOSISDBHSA-N 433.582 1.600 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1750069279 KCHWEURZQKCRKU-MRXNPFEDSA-N 438.536 1.366 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1760174467 GISXASWAVAFPDT-GOSISDBHSA-N 449.602 1.592 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1760188655 PZZUVQZASNBYOS-FPQWYMTMSA-N 449.577 1.061 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1760323340 CKUCSVHXWXDPTJ-GCJKJVERSA-N 440.548 1.540 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760372605 PGPYGWGUFZFSGD-HNNXBMFYSA-N 428.946 1.461 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760520567 RYRDNRUUYWZZRK-MRXNPFEDSA-N 441.536 1.993 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 1760524775 JBBHFNBIVIVXKU-UHFFFAOYSA-N 449.552 1.714 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1760524891 MNEJXVIXAVVICH-UHFFFAOYSA-N 428.512 1.815 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1760653599 DMZCNQNCHWNBAJ-PZJWPPBQSA-N 438.532 1.975 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760681132 UXPICRKTZARZSG-LJQANCHMSA-N 438.536 1.292 30 10 IDEE CCCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1766072919 CPQYIMUDDMTAAF-RLFYNMQTSA-N 427.550 1.062 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)COCCO1 1766401090 ZNGIVQUNDFWQQO-OAQYLSRUSA-N 427.509 1.213 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1766427890 FFESGRFVRMLLEA-RTWAWAEBSA-N 440.548 1.834 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)C(C)C 1767864351 QPRXACYHVKUYJZ-UHFFFAOYSA-N 427.509 1.512 30 10 IDEE CCSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1768411591 WIDLIRWDNYBXOH-WMLDXEAASA-N 446.574 1.196 30 10 IDEE CN(C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1768582720 HSJHIVLLWZVQIL-UHFFFAOYSA-N 442.505 1.108 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768980219 XCAXFJGNOHXABR-ZBKJMMEJSA-N 447.499 1.958 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769393280 TYODUTXDWSYOQI-QFPXGYFVSA-N 428.493 1.461 30 10 IDEE COCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1771233401 AVDFRHZOCQHEJY-GOSISDBHSA-N 428.493 1.219 30 10 IDEE COCCOCCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771270280 UCDOUGQUOQWNTN-UHFFFAOYSA-N 449.515 1.852 30 10 IDEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1 1862631209 MCHHTEBAJROGND-SFHVURJKSA-N 425.393 1.773 30 10 IDEE CC(=O)N(CCN)C(=O)[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C 1868784472 XLVSLBQVQBMKEK-HKUYNNGSSA-N 433.578 1.499 30 10 IDEE CCCCN(CCO)c1nc(NC(=O)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1869994677 DMQDQPCYLBALIL-QGZVFWFLSA-N 446.533 1.360 30 10 IDEE C=CCn1cc(OCC(=O)Nc2c(C)cccc2CC)c(=O)cc1CN(CCO)CCO 1870403700 UEQZCMIRASOKMB-UHFFFAOYSA-N 443.544 1.709 30 10 IDEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1CCC(O)CC1 1870519501 URFXISDEKBJADS-UHFFFAOYSA-N 425.529 1.729 30 10 IDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(OC)c(OC)c1 1870961742 DOKRDEOXADTDJK-UHFFFAOYSA-N 431.489 1.805 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 1890351559 DKJACWOZYQXONM-UHFFFAOYSA-N 427.517 1.385 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124518739 BOWONKIULDLNEZ-QKKBWIMNSA-N 448.329 1.644 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124533214 BOAAFZIVTZKGLF-UKRRQHHQSA-N 448.329 1.332 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124542814 JVMSWUXJFBEKQF-LSDHHAIUSA-N 448.329 1.644 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248433780 QDHDMGSERAODMH-BFKGZMGPSA-N 436.343 1.501 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]1CNC(=O)OC(C)(C)C 2255832413 LQKQKJUMIVMTLR-CQSZACIVSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)nn1 2259056198 BYRPEEWCKDPNQC-LSDHHAIUSA-N 435.334 1.901 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)n1 2267189810 GDOQBVWPZFRBFW-IAGOWNOFSA-N 442.325 1.218 30 10 IDEE C[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)C(F)(F)F 2267269401 DJHQYICAELBKBV-IUODEOHRSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873490 PUYPEZHVBAGLSE-KBPBESRZSA-N 448.329 1.188 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2315419095 SSLNIYFPVMXFNZ-UHFFFAOYSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2320978814 MSFJLTGJIXETTI-VLIAUNLRSA-N 440.346 1.319 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334262006 QICNYRNQOKIQDF-HZSPNIEDSA-N 447.345 1.100 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NC(C)(C)C)nnc12 9549475 UPMWGUCAJSDPEX-UHFFFAOYSA-N 429.502 1.780 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 12174454 WJHCKBGRAPMEIX-IOHRZUIBSA-N 428.681 1.666 30 10 IDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccccn1 20527374 VAKCEVPLXIICCD-UFWORHAWSA-N 429.422 1.178 30 10 IDEE C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1CN(CC(=O)NCCN(C)C)C2=O 35968897 UIFSFIOZMHIVPV-IBGZPJMESA-N 431.924 1.366 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1 102747459 NNVSGDNXJFODKE-GOBJLOIFSA-N 442.491 1.930 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 469555500 AHXADGZTKXXVAZ-VQIMIIECSA-N 445.545 1.738 30 10 IDEE N#Cc1cc(N2CCO[C@@]3(CCOC3)C2)cc(N2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-] 469559287 WLWMHNJRBFWFHM-SFTDATJTSA-N 430.461 1.458 30 10 IDEE CCOC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 482392280 CPNKIKNERUQGKA-DNVCBOLYSA-N 429.498 1.688 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)C2=O)cc1 488273723 FOLFFRRLTVAWRU-DHIUTWEWSA-N 447.539 1.378 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1 492873951 OKHNBMWCYMLQMF-UHFFFAOYSA-N 448.593 1.751 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)ccc1F 497313502 UROQUSKLJJVNDB-HXUWFJFHSA-N 428.489 1.809 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)CC1 506274579 WXJMMRIMYNDFCO-UHFFFAOYSA-N 448.980 1.768 30 10 IDEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 506961306 HHRRARKVOQVDKG-IRXDYDNUSA-N 431.518 1.470 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](CC)C1 508741631 YSWADQGKBKCZQD-KRWDZBQOSA-N 437.548 1.925 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 510634736 MYMBMTJPJHNKSA-GOSISDBHSA-N 443.525 1.561 30 10 IDEE CS(=O)(=O)N1CC[C@H](CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 514127491 VSYDSDJDMOARQJ-QAPCUYQASA-N 441.395 1.913 30 10 IDEE COc1ccc2c(c1)CCC[C@]21NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 521101297 HOHYPWDTCUCQAU-NRFANRHFSA-N 440.481 1.519 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 523476423 PYFZSYXERMKEFD-UHFFFAOYSA-N 427.482 1.727 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 530315534 QBNITVRUJWYUQX-KRWDZBQOSA-N 426.542 1.738 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 533692139 BAQIXGXLLLPQQA-INIZCTEOSA-N 433.480 1.395 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCCC(=O)NC)CC1 549691787 MTCNFKMPMASQFL-UHFFFAOYSA-N 446.577 1.967 30 10 IDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 559028144 UFOAZNIDOINJHL-HXUWFJFHSA-N 428.585 1.486 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 570554713 GDHJNAITRTYLTC-GOEBONIOSA-N 432.550 1.472 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 603797797 HKLLAAPYPFAQHT-OAHLLOKOSA-N 431.464 1.172 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@H]1CCCO1 603801165 ZBSJAWMUOJUAIC-GOSISDBHSA-N 425.554 1.817 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)nc1 609004823 GGICXXOGDABOHE-UHFFFAOYSA-N 434.500 1.514 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 726873745 YWZPRMQQEXJSCJ-CALCHBBNSA-N 433.528 1.891 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(Cc2cscn2)CC1 727404323 AKKLOTZQIZPSQN-UHFFFAOYSA-N 433.559 1.306 30 10 IDEE COC(=O)[C@H](N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(C#N)cc1 740001377 SOKXAXBPHVBGLM-DENIHFKCSA-N 436.516 1.658 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCN(C)CC2)cc1 742135185 MYSLNMSAMIOLIW-UHFFFAOYSA-N 432.590 1.278 30 10 IDEE COCC[S@](=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747496109 IELOPBWRTMOLPV-PMERELPUSA-N 429.498 1.717 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)c[nH]1 753359393 QUOZFECJBHMGOQ-AWEZNQCLSA-N 443.525 1.322 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cncs2)c1=O 767879669 IVYVWYGHXNSNBG-UHFFFAOYSA-N 438.534 1.026 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 781596830 AFIDXWCKOOZZRL-DVOMOZLQSA-N 426.495 1.228 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)n1 788654321 OVYSBCPWWHFTHU-UHFFFAOYSA-N 445.545 1.946 30 10 IDEE C[C@@H](c1ncn(C)n1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790727137 MBQFCFOBOOQXMZ-JSGCOSHPSA-N 435.579 1.637 30 10 IDEE COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 797410767 JQJWMEYURGVIDW-QGZVFWFLSA-N 433.493 1.310 30 10 IDEE Nc1nccc([C@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 803234820 RAQHQVYNBKIREY-AWEZNQCLSA-N 428.518 1.284 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 803525612 SIQOJEZVEDXHQF-LJQANCHMSA-N 425.510 1.172 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 809895008 NFYLFTAPGQANJQ-KRWDZBQOSA-N 448.549 1.409 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 856608333 MAYHPICRHZBXIQ-RBUKOAKNSA-N 440.525 1.755 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915450282 LXKZAEVCZBYKEQ-QFYYESIMSA-N 446.323 1.696 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3cc(OC)ccc3O)n2N)c1 1083923897 DNNIPSWODZPUAB-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)c1 1084270216 UHCBEGGFWHOQFQ-UHFFFAOYSA-N 429.462 1.589 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nnn(Cc3cc(C)no3)c2C)c1 1125488711 AUTWHWHEZXJSSE-UHFFFAOYSA-N 448.483 1.418 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1137647844 QQWSBJMMFFYQSG-HOTGVXAUSA-N 427.509 1.468 30 10 IDEE CCOC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C)c1C 1138577512 FNLIQFUPGCXXEC-HXUWFJFHSA-N 429.498 1.874 30 10 IDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1251341338 AEXDWWIUWZRVCM-JQHSSLGASA-N 441.484 1.645 30 10 IDEE CN1C(=O)[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1278866099 NQVFYCOIFFZWJQ-MSOLQXFVSA-N 431.452 1.467 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1286297462 BRZUKEPWLPDLMG-DOTOQJQBSA-N 425.518 1.267 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(N)=O)C1 1286321525 RCZDGJZXSYEWBU-HNNXBMFYSA-N 429.550 1.353 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1286393996 NGKANKOFMFEDNY-KRWDZBQOSA-N 435.594 1.410 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1286400262 AJTPORWBMXBMTI-HSZRJFAPSA-N 446.515 1.416 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1286448525 XCFXHIQMUUCEOP-FQEVSTJZSA-N 443.573 1.956 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1286464452 BAQJIOWCDDNKHV-OALUTQOASA-N 428.537 1.659 30 10 IDEE COc1ccc(NC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1C#N 1288068729 DRTQGVAZZAXZQM-UHFFFAOYSA-N 428.514 1.966 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1288991206 QJCASBOXWJLUFE-BZCZAOFBSA-N 435.488 1.173 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 1292889628 IRFSIDXWKVDBPZ-AWEZNQCLSA-N 435.160 1.166 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1cccc(C(N)=O)c1 1293111318 OZQIOQQNQQMCKS-UHFFFAOYSA-N 430.516 1.775 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CCOC)c1 1293226787 CTTHCTQMQMDHRS-LJQANCHMSA-N 434.504 1.423 30 10 IDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(OCC(N)=O)c2)cn1 1298809351 GVMWNOOWPARKGO-UHFFFAOYSA-N 434.504 1.721 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300488634 TYUIDELSLZBZBC-SFHVURJKSA-N 439.541 1.967 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1300556205 FENMGVHTLVIFBF-SFHVURJKSA-N 443.573 1.911 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCSC1 1300664697 UOSXZPFTQOLMRJ-NRFANRHFSA-N 440.529 1.548 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1300681577 UMKIOJANBAKPCI-FQEVSTJZSA-N 441.624 1.780 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1300975700 YXOZUIWRNGEUCH-MRXNPFEDSA-N 447.561 1.608 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1301251274 ASNKOISSDRITBA-HNNXBMFYSA-N 437.504 1.854 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301513894 BUHVJTXQLSZTBB-KRWDZBQOSA-N 440.504 1.417 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1301955867 ASPVRAIMNXVVIB-HNNXBMFYSA-N 442.549 1.870 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1302093735 NACYKVZHCOLAHA-OIISXLGYSA-N 440.495 1.603 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncccc2N(C)C)CCOC1 1303504162 FXBQVPRANKHVNI-VGSWGCGISA-N 441.536 1.557 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 1313281176 UMCKAVJMBQTVJZ-MSOLQXFVSA-N 428.537 1.934 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1337681431 CNRKSZXQIBNDGX-LJQANCHMSA-N 449.573 1.412 30 10 IDEE CN1C(=O)CN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1=O 1356319133 NZGZJAGDCZYNEV-LTGZKZEYSA-N 435.506 1.112 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1358930055 NIVCDTJPMYGITN-QZTJIDSGSA-N 435.594 1.726 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1358970353 MLWOJTWNTRKRBR-REWPJTCUSA-N 427.549 1.650 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359100574 DDIKEWKYGRGWJY-DWLFOUALSA-N 440.548 1.586 30 10 IDEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359201224 HDOQBZHKYJFBEZ-UHFFFAOYSA-N 425.537 1.901 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1359270271 JFAFQDMLQVGBKM-QHCPKHFHSA-N 435.532 1.437 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(C)c2C)CC1 1359299549 HUFZOFOYWGKOIV-GOSISDBHSA-N 437.548 1.475 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCO[C@@H]1C)S(C)(=O)=O 1359480762 BSXMPEJGUHZXKO-DXEZIKHYSA-N 447.561 1.614 30 10 IDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@H]2C)c(=O)n1C 1361271742 ABTOCEWOLZIKLB-MRXNPFEDSA-N 431.500 1.539 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1440783351 LOLSWGIATXKGAV-SJLPKXTDSA-N 435.569 1.775 30 10 IDEE C=CCNC(=O)CNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1446850839 ZCNYNXGDZRVJLE-HOCLYGCPSA-N 443.363 1.461 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCOC12CCOCC2 1456952622 GFKLVFYSBPEISK-GOSISDBHSA-N 435.546 1.740 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(c3ncc(Br)c(OC)n3)CC2)C1 1471335400 DIIJEWNZIDTZKR-AWEZNQCLSA-N 437.342 1.177 30 10 IDEE C#CC1(O)CCN(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1471401513 ZFMMRKXWYPUSHX-MRXNPFEDSA-N 435.521 1.489 30 10 IDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1475293006 XJVRDLRHYBEMMA-SNVBAGLBSA-N 439.271 1.683 30 10 IDEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1494517448 DHOLRBBIICPNDN-DYESRHJHSA-N 433.532 1.457 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1503220032 IUVUWMMDWLEWJZ-UHFFFAOYSA-N 440.548 1.517 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@@H]1O 1505269638 CRERILVFDRBNMM-NKXGVUCQSA-N 429.546 1.847 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1507539265 TWSYCXCNNYABLL-YLJYHZDGSA-N 443.573 1.955 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1507692277 VTPHCSATKAFURX-KRWDZBQOSA-N 446.552 1.572 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1507702761 NOEIOTDBDHOFAS-IUKKYPGJSA-N 438.532 1.953 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC3CC3)nc2)CC1 1507717011 XQTJONCKDYUFGG-UHFFFAOYSA-N 437.548 1.404 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1)C1CC1 1507992939 LJVNTDXHJDSWNT-IBGZPJMESA-N 447.561 1.845 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(c2nc(C)ns2)CC1 1508081745 ODGUJCXATFSLCB-UHFFFAOYSA-N 441.565 1.462 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)CC1 1508104755 NPPNXFAYTXYYOG-UHFFFAOYSA-N 428.518 1.527 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCCC2)CC1 1508143715 JOPLPNWXJLBNHQ-UHFFFAOYSA-N 444.605 1.929 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1508160458 GKUXAPXSSPXNHQ-ZACQAIPSSA-N 425.624 1.772 30 10 IDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1512676464 MFSZQOQFFNFKGL-VXKWHMMOSA-N 427.505 1.885 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1514279793 AIXQFZCTGKVTNI-HNNXBMFYSA-N 427.557 1.379 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1518764746 JUEOHHYKOOWQGL-IIBYNOLFSA-N 428.468 1.572 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1519393854 NNUNZPXYLPDWRO-MSOLQXFVSA-N 427.461 1.984 30 10 IDEE CCS(=O)(=O)N(C)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1526185327 XBGKETRJHLUAOW-JZJYNLBNSA-N 444.579 1.500 30 10 IDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1526236487 XZNSHLWJYHWNPH-SJORKVTESA-N 432.502 1.189 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1529838318 NINARXWGFTXAGT-LSDHHAIUSA-N 437.518 1.925 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1531581647 VMPAJGVPAKLHEK-UHFFFAOYSA-N 445.541 1.762 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)c1 1534422624 WRJWCBDSYNUFAS-UHFFFAOYSA-N 441.447 1.566 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539216746 WQRFKUUQMMGVLB-ROUUACIJSA-N 430.578 1.632 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(=O)(=O)CC 1539305395 ZGPOZXMHOALORB-UHFFFAOYSA-N 430.490 1.256 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1539315655 RBSNLCIRJPTDAD-HSZRJFAPSA-N 431.500 1.123 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2(OC)CCC2)CC1 1539476582 BWRSXSSVLUZIPM-KRWDZBQOSA-N 428.537 1.154 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COCCOC)C1 1539612996 SCDCFSRLGSHJRA-ZCNNSNEGSA-N 447.580 1.985 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1539729559 KGWFKFWPHAAPAJ-VYDXJSESSA-N 427.571 1.485 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1539735093 FIDGCAQJQBXRKM-UHFFFAOYSA-N 434.928 1.881 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539998280 DZFNGONYYUZYEV-INIZCTEOSA-N 426.525 1.711 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1540048355 UNKRTIUFIPZYAO-MRXNPFEDSA-N 434.566 1.395 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540870934 ACYBWZVTCOTLAK-ZDUSSCGKSA-N 430.475 1.674 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)COCCO1 1542020760 DLFWLMLRNMYQHM-JOCHJYFZSA-N 425.537 1.974 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1552920031 GLOOICRNBDBUCF-OALUTQOASA-N 445.545 1.636 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1555555327 SHBGFAMIOHQUTB-MRXNPFEDSA-N 449.556 1.794 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1S(=O)(=O)NCC#N 1557638970 DQULWBPFPSNOIV-UHFFFAOYSA-N 442.541 1.688 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCN(C)C(=O)OC(C)(C)C 1565095266 BESXAXDOGGZNFV-INIZCTEOSA-N 447.540 1.452 30 10 IDEE C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@@]2(O)C(=O)COP(=O)(O)O 1565504202 JDOZJEUDSLGTLU-WCORJRIASA-N 440.429 1.675 30 10 IDEE C[C@]1(C#N)CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1586809211 XWPZTPATWZODLN-HXUWFJFHSA-N 430.486 1.337 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588055507 WQZUARKDOOXLMM-SQNIBIBYSA-N 438.594 1.860 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588055750 YXFJMQNCMNTEQT-GOSISDBHSA-N 435.594 1.821 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H](O)C1 1588673006 KJHODBZLLKUWFU-IAGOWNOFSA-N 431.562 1.907 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccccc2)CC1 1588865627 YWGYXSPTKGKKQU-UHFFFAOYSA-N 435.576 1.288 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2N(C)C)C1 1589060476 SEVVYGOWBNAYRO-KRWDZBQOSA-N 425.562 1.619 30 10 IDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1589394402 FDXNVPYQIPXULS-UHFFFAOYSA-N 425.331 1.638 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1589481618 BANQYVPUVNDYJO-ZCNNSNEGSA-N 444.580 1.800 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1593694817 ALVKGLISPCVJKU-AEFFLSMTSA-N 441.598 1.876 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)COC(=O)N2 1593696652 UWOVYKISRDCIIK-UHFFFAOYSA-N 434.541 1.868 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1595658962 OMAXHMCUWXWONK-QGZVFWFLSA-N 440.504 1.731 30 10 IDEE CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598482325 ATXLMENJESCCAX-OCAPTIKFSA-N 432.333 1.897 30 10 IDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)C1 1603204516 DCEHPRSQXDXSHF-UHFFFAOYSA-N 426.494 1.657 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1610981987 UYCWMLSXLRIQOX-RUNIHZNKSA-N 446.552 1.732 30 10 IDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cs1 1611947429 IWRDTMIPSRJMED-YOEHRIQHSA-N 449.606 1.483 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)c1=O 1614707837 DQPRIEZMOFYKPO-UHFFFAOYSA-N 431.452 1.207 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1617698703 RFAIDIHFOVAWBS-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2C1 1618171837 OYYXMNZIAHAHTE-LAUBAEHRSA-N 431.514 1.948 30 10 IDEE COc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)ccc1C 1619094948 GTYXUEWRLBHASF-LIRRHRJNSA-N 436.513 1.696 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1622702107 XASTVDYIZIMUDH-LJQANCHMSA-N 433.530 1.592 30 10 IDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1 1624398981 JPSJZBPJCSAYSE-UHFFFAOYSA-N 428.510 1.774 30 10 IDEE 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30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)n1 2267112248 DDVKRBKSZKCMDC-CYBMUJFWSA-N 449.361 1.490 30 10 IDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267180547 GATNXAYMTHQOIN-UHFFFAOYSA-N 447.301 1.406 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267268893 AOWGAEOJACNIQK-SJORKVTESA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2267547475 LGJSJJCODDHZQD-OWCLPIDISA-N 444.341 1.904 30 10 IDEE COCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CN(C(=O)OC(C)(C)C)C1 2267562136 YXDHVAPKSULLAS-UHFFFAOYSA-N 449.357 1.927 30 10 IDEE CC1(C)OB(c2c(NS(=O)(=O)C3CC4(C3)OCCO4)ccc(F)c2F)OC1(C)C 2295338094 RPELBKUBRMNNNO-UHFFFAOYSA-N 431.266 1.911 30 10 IDEE CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CN(c3nccc(C#N)n3)CCO2)n1 2296588011 XZAJNOOEAHHZCI-GOSISDBHSA-N 430.472 1.548 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2319848579 YNIDSDHHFILWBZ-UHFFFAOYSA-N 435.330 1.939 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2337206743 RVAYGKGFYCAQEL-CQSZACIVSA-N 446.357 1.991 30 10 IDEE C=CCN1C(=O)N[C@@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(C)=O)CC1 35991765 VOJLDWMIMDWDEV-IBGZPJMESA-N 432.546 1.982 30 10 IDEE CC(C)OC[C@@H](O)Cn1c(NN=C/C=C\c2ccccc2)nc2c1c(=O)nc(O)n2C 254500605 XUOAWTHXVZNDPI-STZKEIKMSA-N 426.477 1.733 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cccc(C(F)(F)F)n1 489208782 WOCNUEWNJKCFOR-LBPRGKRZSA-N 426.420 1.998 30 10 IDEE N#CCC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 503628754 ZRGWXDOEYILDNZ-UHFFFAOYSA-N 447.333 1.886 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508651092 FJWFWAAZNBWUDB-FGZHOGPDSA-N 438.576 1.865 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 513086943 XILZNMYDZXLNEM-VGSWGCGISA-N 427.526 1.778 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)cn2)c1=O 532394304 BCUPTGCUZNVXAF-UHFFFAOYSA-N 425.510 1.439 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C[C@H]1CCCO1 532880575 JNDHZUNLOIVZAO-CYBMUJFWSA-N 431.583 1.697 30 10 IDEE CN1CCC(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)(N2CCCCC2)CC1 544885016 GXWIAFVMNXHHRR-UHFFFAOYSA-N 425.581 1.735 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)n1 545492000 HBYALEVVHRBJJD-UHFFFAOYSA-N 428.836 1.593 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 549278684 DGXMEPTWEDZKNB-OAHLLOKOSA-N 429.529 1.305 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO2)CC1 549488128 NWUMJIYUSXJCNB-LJQANCHMSA-N 435.532 1.891 30 10 IDEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549780149 YIKIGGDSMGJSQK-GOSISDBHSA-N 427.509 1.386 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 619103124 PBYQAAZSCTUIGG-UHFFFAOYSA-N 427.530 1.587 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 680307637 DJCXDAZUUMEBOV-YTFSRNRJSA-N 439.604 1.917 30 10 IDEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1Cl 726976996 UVLFSZJTHCUJDK-UHFFFAOYSA-N 439.946 1.925 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOCC)sc(=Cc3ccoc3)c2=O)c1 727417939 TUIJWYMHHKFLDM-UHFFFAOYSA-N 447.516 1.519 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732698339 XQKIPKAJANKLJI-XKAFOEQXSA-N 430.534 1.703 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732699574 AJEGIJDHBNHDLH-CBGDNZLLSA-N 425.533 1.818 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCN1C1CC1 732700550 IYSTZLHXEMZHML-QGZVFWFLSA-N 434.338 1.951 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC(=O)N2C)cc1 734964460 YBHKJVGOLQKXFD-ICSRJNTNSA-N 427.482 1.732 30 10 IDEE O=C(O)C#CCNC(=O)[C@H]1COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757471729 UPXGJSWLOIVXAE-SFTDATJTSA-N 434.448 1.744 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766423533 AVGYVLOLPJSUFL-IBGZPJMESA-N 436.541 1.658 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n(-c2ccc(C(F)(F)F)cn2)n1 768155842 WEJOVUQBNRPVHF-HNNXBMFYSA-N 447.421 1.732 30 10 IDEE C[C@H]1CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@@H](C)N1C(=O)[C@@H](O)c1ccc(C#N)cc1 790028846 IWXKNPVQSARNHI-KFVVBQDRSA-N 432.480 1.645 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)n1 790103964 DLDOLLGSYGURAC-UHFFFAOYSA-N 437.544 1.620 30 10 IDEE C[C@@H]1CC[C@H]1N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 795183874 MRQWKFNZTSOZJS-OLMNPRSZSA-N 445.589 1.974 30 10 IDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cn2)c1 798841108 JBNKFQCUKPUWQF-UHFFFAOYSA-N 433.453 1.752 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802577387 ANTSONFLZJLLPB-YCRPNKLZSA-N 426.477 1.517 30 10 IDEE C#CCN(C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)[C@@H]1CCS(=O)(=O)C1 918754815 HTHUWECVPMMBBD-QGZVFWFLSA-N 438.505 1.865 30 10 IDEE CCCCC(C)=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1 1084283297 HJUCYYDIUIVADY-UHFFFAOYSA-N 443.584 1.942 30 10 IDEE COCCS(=O)(=O)c1ccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 1126549398 GECPRARYJWCOEA-UHFFFAOYSA-N 425.470 1.870 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N(CCC#N)CC3CC3)CS(=O)(=O)[C@@H]2C1 1136680520 LITJWVDKXJTZBZ-BRWVUGGUSA-N 425.551 1.809 30 10 IDEE Cn1cc(CNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(-c2ccc(C#N)cc2)n1 1138163907 VVLXKRUMVUPQQZ-QHCPKHFHSA-N 428.452 1.943 30 10 IDEE C[C@H](CC(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 1141343150 KQJMSOPVVDGHEN-AUUYWEPGSA-N 445.545 1.257 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)/C=C/C(=O)c2ccc(C)cc2)c1 1144418305 YCIHJDBZDNQAOH-RUMSDORHSA-N 429.498 1.785 30 10 IDEE CN1C[C@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCC1=O 1194647769 CILJJQJXPXJOJJ-IAGOWNOFSA-N 427.549 1.909 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)CC2)c1C#N 1235353779 DZKCNSHMULHSPV-SAABIXHNSA-N 442.545 1.437 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1286296211 MXOKNMPALVQSQX-JDFXSDQTSA-N 448.483 1.775 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1286386937 KBLOVUPPHCEKSE-OAHLLOKOSA-N 428.543 1.780 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1286389144 YNYROZGJKRBXOE-LSDHHAIUSA-N 441.916 1.605 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1286406889 LBAJQXHVAULEBC-UHFFFAOYSA-N 428.544 1.931 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1286416528 OZFSWVLJMOOMAJ-KRWDZBQOSA-N 428.514 1.373 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCN2CC)CC1 1286472303 GJZNMIUVPMKQPN-NFBKMPQASA-N 430.597 1.560 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[S@@](=O)CC)CC1 1286485139 WBNUTNGKGWAEPB-PMERELPUSA-N 429.590 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccco2)CC1 1286490468 WATHTUICNUBPFZ-JOCHJYFZSA-N 437.504 1.145 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286582689 CIIUUWIXIMMEIF-GOSISDBHSA-N 426.521 1.795 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286791782 CNADOQGDLGYPIR-HNNXBMFYSA-N 446.483 1.575 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N2CCOCC2)C1 1286813498 VZVICYXCPXZNKC-VQTJNVASSA-N 429.569 1.642 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)C2)nnc1C1(c2ccccc2)CCC1 1286825698 USPRFJYYNHMDBR-UHFFFAOYSA-N 429.546 1.285 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)CCOC1 1288320715 CENCKPURSCHVHE-IURTXMEQSA-N 439.582 1.595 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(-n2cccn2)cc1 1288770875 BJBQKGKPGFTGRK-HZPDHXFCSA-N 442.549 1.861 30 10 IDEE N#Cc1cn(CCC(=O)NCc2cc(Br)c3c(c2)OCCO3)c(=O)nc1O 1292237398 BIILJVPLLGHSRR-UHFFFAOYSA-N 435.234 1.061 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2C[C@H]2C)C[C@H]1O 1299420848 MGGUQDQKEJNSQC-NOCIGQNYSA-N 425.489 1.745 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCC 1300465819 QSILQZWDRJEGHS-IBGZPJMESA-N 447.561 1.265 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1300495485 IAKQPKJYYFWLRY-UYAOXDASSA-N 443.573 1.745 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1300707824 KXFPWRXBQVOHOV-OAQYLSRUSA-N 436.516 1.289 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCOC(C)(C)C2)CC1 1300729089 MSAHUDFDRBZHTF-UHFFFAOYSA-N 428.581 1.307 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(=O)NC)C1 1300891596 LWYXKKJSEQAKNW-BJLQDIEVSA-N 426.521 1.196 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOCC2CCOCC2)CC1 1301066509 RANFNVRXONYWMX-QGZVFWFLSA-N 441.598 1.878 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1302016166 QMHGETLXAQRHRG-HSZRJFAPSA-N 435.532 1.695 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302444098 OQTVPAZWBXXCAM-HNNXBMFYSA-N 439.520 1.479 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1302474474 BQPYQSIQKKHAFM-CRAIPNDOSA-N 438.554 1.654 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)C1 1303933669 ADSORIDLLOTFEG-IBGZPJMESA-N 432.435 1.437 30 10 IDEE Cc1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1304853605 VMYQICTUGIISOM-VXPUYCOJSA-N 443.458 1.718 30 10 IDEE CS(=O)(=O)c1ccc([C@@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CCO2)cc1 1307956642 ZXFNAPKTWWWKJV-NRFANRHFSA-N 438.505 1.763 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1316265309 XTLNWUAJKNTODE-UXHICEINSA-N 427.505 1.864 30 10 IDEE COc1cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(C(=O)N2CCCC2)cc1OC 1322222287 FMQOFMITEJCQTJ-QZQOTICOSA-N 442.472 1.795 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1352160537 CVUPAIAUBOPVGW-KRWDZBQOSA-N 438.506 1.207 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)cc(OC)c1OC 1358414789 LHKDJHGTWYOISM-CQSZACIVSA-N 435.477 1.489 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C1CC1 1358870271 JJWXNGNFKMDVNM-CQSZACIVSA-N 428.924 1.846 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCS(=O)(=O)N(C)C)c1 1358902152 GHSDFINJVJKFGH-UHFFFAOYSA-N 444.561 1.493 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1358960988 PQATWAAKKORLAR-KRWDZBQOSA-N 431.562 1.870 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1359009871 ATMOBDPBIUSIMI-XLIONFOSSA-N 441.598 1.258 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCC=C)CC1 1359041794 ISGZMTXCTONGSR-UHFFFAOYSA-N 440.935 1.867 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2c(C)nn(C)c2C)CC1 1359043634 BRXIMAQMOQXORM-UHFFFAOYSA-N 432.532 1.705 30 10 IDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359081391 ZHTJAMWCWFJEFL-CQSZACIVSA-N 446.309 1.721 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359136797 VCYLXYUAZFVXKK-AVRDEDQJSA-N 435.569 1.874 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1359240390 MZDZUDMKYXZAAW-CRAIPNDOSA-N 433.534 1.409 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359288616 OAKCKFPKJCPFLB-UHFFFAOYSA-N 442.549 1.003 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359302409 GWYJZVFANLNTLM-LJQANCHMSA-N 440.548 1.588 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nnn(C)n2)C1 1359315589 XIJRYQMDQBQQIO-LBPRGKRZSA-N 434.302 1.389 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2)C1 1359331686 GCWPBUABWTUPNN-ZWKOTPCHSA-N 429.546 1.824 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOC(C)(C)C 1360238212 WTUVYQXUNXIMDS-UHFFFAOYSA-N 440.552 1.825 30 10 IDEE N#Cc1cn(CCC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c(=O)nc1O 1441659642 AQYMPEDGRRLTMQ-UHFFFAOYSA-N 435.415 1.918 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 1444356445 MZFJFHRKKUWTCX-ZMUHTPIZSA-N 435.615 1.866 30 10 IDEE COC(=O)c1cccc2c1CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1450838735 NOZORZUALWWYDL-UHFFFAOYSA-N 427.482 1.782 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)OCC)c(Br)cc2F)CC1 1464112023 NNLAIKQYFRHKSF-UHFFFAOYSA-N 434.283 1.914 30 10 IDEE C=CCN(C(=O)c1ccc(NCCN2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1464395016 DINYLXJFJIUETL-KRWDZBQOSA-N 425.526 1.385 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(OC)c(O)c(OC)c2)s1 1465982250 ZBPJQUMATJERKN-UHFFFAOYSA-N 426.516 1.794 30 10 IDEE C[C@@]12CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@]1(C)CS(=O)(=O)C2 1478420616 AZNDHAWTFCWARH-DZFGPLHGSA-N 430.530 1.520 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1479544556 IQRAIZHNSCZMOE-UHFFFAOYSA-N 433.509 1.160 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CCN2C1=O 1502215608 WZWSZPRWXXYRNL-AWEZNQCLSA-N 433.394 1.852 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1507513586 ANWMIZGMBDHOGQ-DLBZAZTESA-N 445.593 1.780 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC 1507711792 ZOVKURGWJZFPPW-GOSISDBHSA-N 432.546 1.713 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1507713462 KQZHRYVGVQOTTH-NZQKXSOJSA-N 442.564 1.954 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1507720567 UVOZZVZHBLQOFW-MZKRTTBSSA-N 447.580 1.486 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCc2noc(CC)n2)CC1 1507727089 NOACGAOAKQQUCS-UHFFFAOYSA-N 435.532 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2CCCO)CC1 1507736688 PQJIIFSXSQIZCR-LJQANCHMSA-N 439.564 1.086 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N[C@@H](C)CC)CC1 1507740455 AGXAFGZNRJPFJN-FUHWJXTLSA-N 430.553 1.400 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1507747786 YJEYLAIPDNZPKN-DNVCBOLYSA-N 443.639 1.896 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)[C@H](C)CCC 1507765497 SPNJGSWIVQKPGK-JXXFODFXSA-N 438.598 1.433 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1508071537 ADTZBDRTXARSMJ-AEFFLSMTSA-N 444.511 1.380 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1509946569 HNJCDCHRCRBHGD-GOSISDBHSA-N 429.569 1.784 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)C1 1510288326 OIRDSMQWQGFGQT-KKSFZXQISA-N 425.493 1.861 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@@H](C)C2)CCOC1 1512237521 GOVPVOZHHDIIOW-XQBPLPMBSA-N 432.569 1.779 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCn1cc(Cl)cn1 1516537936 DQECQCMNAZQCRG-UHFFFAOYSA-N 428.884 1.900 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1539026707 YUZJIYRYXZODBS-AVRDEDQJSA-N 443.621 1.806 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1539094456 PZIZEWYBIKZMTQ-DLBZAZTESA-N 446.581 1.197 30 10 IDEE N#C[C@]12CN(C(=O)C3(S(=O)(=O)c4ccccc4)CCCCC3)C[C@H]1CS(=O)(=O)C2 1539118269 KUZJTOPEEFXMIF-QFBILLFUSA-N 436.555 1.560 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCOCC1 1539359895 SLWDUZYCISWYDA-UHFFFAOYSA-N 435.536 1.493 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1539525773 BTAGJWNAPOZIFF-UHFFFAOYSA-N 429.594 1.953 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1540074510 ZHSQGSAOQXMOSE-OALUTQOASA-N 439.626 1.939 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1540991289 KTNIGLGDNSQTEF-DNTCVELPSA-N 443.552 1.450 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1541105207 GJGDKIRCAMGVSR-NUJGCVRESA-N 433.582 1.787 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCN1CCCO 1541363791 MGZHJUGKJHAYGW-HXUWFJFHSA-N 438.580 1.842 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)ccc1F 1544213019 GQQRFNFDYLXPNS-AWEZNQCLSA-N 438.502 1.591 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC)C1 1547780370 IEAZGNAESBRCCB-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1547901737 RWQSWWPEOHRINI-KNXBSLHKSA-N 430.553 1.975 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1554230979 GETIMHURKUVJRS-SFHVURJKSA-N 436.520 1.854 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1555796922 MCFLGBUPEHSUFJ-HOTGVXAUSA-N 437.472 1.864 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1555806254 DWIYIYHYGPLMIB-DLBZAZTESA-N 428.518 1.109 30 10 IDEE C=CCc1ccc(OCC(=O)N2[C@H](C)SC[C@H]2C(=O)NCCC(=O)OC)c(OC)c1 1556930477 QMKGVVZVWDUBSE-HOCLYGCPSA-N 436.530 1.772 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)c1cccc(C(F)(F)F)c1 1557947003 FUKGKSGHPOYKFF-HNNXBMFYSA-N 441.431 1.984 30 10 IDEE Cc1cc(NCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n2ncnc2n1 1566179993 YZSRQTCEOVMFRW-CQSZACIVSA-N 438.879 1.539 30 10 IDEE C[C@H](O)c1cn(C2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)nn1 1567351754 APQKHNZQKMYZND-NSHDSACASA-N 431.294 1.485 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1587568879 SJIDVBNTYLKWHW-HRAATJIYSA-N 447.561 1.345 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOC(C)C 1587638222 CMXNXNYGEATODU-SJORKVTESA-N 427.571 1.274 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1588024710 JXDFSHZYYSYWIU-BETUJISGSA-N 426.468 1.500 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1588064650 MMSQRKHZCPQXIZ-MRXNPFEDSA-N 449.602 1.329 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccn(CC)c1=O 1588251896 ZQYXCMDWTFEFID-UHFFFAOYSA-N 448.552 1.962 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cn3ccccc3n2)CC1 1588749847 AKFOHZZVYHPSHT-IBGZPJMESA-N 437.548 1.648 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOCC1 1597084642 ZACGWMDNYGWGDO-UHFFFAOYSA-N 425.537 1.833 30 10 IDEE Cc1cc(C)cc(N=C2N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)NCc4cccnc4)[C@H]3S2)c1 1616174710 CTXYIXGBPDQPIA-OMQSBVIBSA-N 426.542 1.818 30 10 IDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1617320181 MJQVCKFOLDAAIG-UHFFFAOYSA-N 434.522 1.571 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1620043898 PNUWXIZRPBRLTK-KNQAVFIVSA-N 427.505 1.600 30 10 IDEE CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)S(N)(=O)=O 1626285731 VLBDTPPCOUZYAF-ZKCWRFQVSA-N 444.579 1.675 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)C[C@H]1CS(=O)(=O)C2 1627137024 QSSUNPPDPSUQHL-BLLLJJGKSA-N 426.376 1.766 30 10 IDEE C=CCc1cc(CNC(=O)c2nc(S(N)(=O)=O)c3ccccn23)cc(OC)c1OC 1631479952 QDBIOMNPAXVTAK-UHFFFAOYSA-N 430.486 1.657 30 10 IDEE CNC(=O)CN1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1634647546 JOEYSHKWJJSCJO-HXUWFJFHSA-N 441.532 1.283 30 10 IDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)COC1 1635701032 IJNOECJXZJYQED-KRWDZBQOSA-N 428.489 1.459 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCc2nccc(C(F)(F)F)n2)cc1 1637044194 XLNGYRQSJJMDAS-UHFFFAOYSA-N 426.420 1.722 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC)[C@H](O)C(F)F)nnc12 1638767403 XQZXGDQAKXENHG-DOMZBBRYSA-N 437.472 1.843 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@]2(C#N)CCc3ccccc3C2)CC1 1638848027 GKMUIBPMZNBDGQ-JOCHJYFZSA-N 441.557 1.995 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)C1 1639270552 ZLGBPZAPRBFZJR-QGZVFWFLSA-N 428.514 1.865 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1640434482 YYFFQBWCJCINDF-DHXZDTOLSA-N 448.545 1.882 30 10 IDEE CCn1c(CN2CCC(C#N)(C(=O)OC)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 1643109918 FRIGRJHYRXQMEO-UHFFFAOYSA-N 433.534 1.585 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)s1 1645856231 SWBZFBDCSIQPRC-CQSZACIVSA-N 448.526 1.751 30 10 IDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1648849179 GRGQOHUPSVYQKW-DJJJIMSYSA-N 443.481 1.057 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)N(C)C 1653538828 AAHOFVHEASWSCT-HZPDHXFCSA-N 434.541 1.635 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 1668200482 ZMPXQXBKZRNIOS-GOSISDBHSA-N 444.575 1.698 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)c1C#N 1685128783 WDDYCQJUOHNQGD-QZTJIDSGSA-N 443.552 1.545 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(OC)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689979413 AIMCLQHDVYOYFO-QGZVFWFLSA-N 448.545 1.677 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cnccc2OC)CC1 1690148301 BUHNIUDFUSHBHL-UHFFFAOYSA-N 445.527 1.682 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690179396 XROLVUJUWQVNQG-UHFFFAOYSA-N 439.589 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1690722827 WUQMMNLGWNZLFB-UHFFFAOYSA-N 444.561 1.390 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1690867815 IBNVENNQMWHGLB-FQEVSTJZSA-N 446.918 1.600 30 10 IDEE COCCN1C[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C#N)CC2)CC1=O 1698077996 FJVYXMLMXWIOQZ-IBGZPJMESA-N 440.552 1.375 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN(C(C)C)C1 1698256176 ZQQAFSQHOLYVEZ-MUGJNUQGSA-N 432.569 1.851 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705567085 TXHILVVNKLXOKD-IPMKNSEASA-N 437.610 1.529 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 1705632797 BUIPPDCKWDPFHT-MRXNPFEDSA-N 438.511 1.982 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC 1705700463 UCDUZMACXXARCT-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1705767622 PEVCGMSNGDBBRW-HUUCEWRRSA-N 428.459 1.649 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1705897315 KCVSJSDFJCTHOS-QKKBWIMNSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)CC1 1705897505 NJPHJVVZYFMHOU-AWEZNQCLSA-N 432.912 1.700 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)CC1 1705904694 VFCGGLHXIMQCEU-HXUWFJFHSA-N 440.548 1.871 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)C1 1705919325 BRPWHGXOYZUGFN-GOSISDBHSA-N 442.476 1.493 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705934327 ISTCOLFKJNXMML-CVEARBPZSA-N 439.582 1.614 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1705948564 XMJKZAIXAGNMBB-UHFFFAOYSA-N 445.593 1.938 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1710848325 APHOBXVQLILXED-RDJZCZTQSA-N 449.533 1.325 30 10 IDEE CN(Cc1ncc(Cl)n1C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1711121328 ZKQFILFHZRKITM-UHFFFAOYSA-N 428.884 1.937 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(=O)NCC(F)F)c1 1712878125 GGRCCHMXDRQMRB-CQSZACIVSA-N 431.447 1.290 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCSCCCO)c1 1712878167 HRJLFCLSJCSLKS-QGZVFWFLSA-N 428.518 1.573 30 10 IDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722365676 NLYVETXBKIOPMV-KRWDZBQOSA-N 436.965 1.920 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1722504640 HHYBAQPJBKZBJY-KPFFTGBYSA-N 430.553 1.658 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722693296 JJZURZDOBMRJKB-KSFYIVLOSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CC(=O)N1CCOCC1 1722695271 YIIDNWNHEKCWBR-UHFFFAOYSA-N 449.515 1.091 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722698191 WLMLDMAVAOQFFZ-UHFFFAOYSA-N 443.515 1.544 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722702785 REVGYCXEEXEKRW-CVEARBPZSA-N 443.577 1.245 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C 1722706608 UZBYWOZGZMINHU-UHFFFAOYSA-N 427.484 1.977 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N(C)CCC(=O)NC 1722725433 LLMFQKDYVDGMTQ-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cs1 1725227931 WQPYRHLPBMKDPB-UKRRQHHQSA-N 437.595 1.654 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@](C)(O)CC)CCOC1 1728797779 QAQFQEFHKAPEKR-FGZHOGPDSA-N 442.520 1.626 30 10 IDEE CN(C)CCOCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729342132 YTEUQZRDLUXFPL-LJQANCHMSA-N 429.594 1.685 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCC1 1740610715 JJXNOTMUWAXENZ-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1740621623 XTPXFRBNZLAVEV-IRXDYDNUSA-N 436.484 1.996 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740624008 CAGMNUXIQJHLFC-UXHICEINSA-N 442.589 1.231 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1740645171 AQXFZLFYOJAXIH-KRWDZBQOSA-N 429.546 1.798 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1740698327 DHBDMDBDVPXLBP-IRLDBZIGSA-N 425.581 1.956 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1740899672 GBNDPRQOOWQMLS-GOSISDBHSA-N 435.550 1.485 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N2CCCC2=O)CC1 1740953827 SAEDWQOFKPDLMF-UHFFFAOYSA-N 438.532 1.847 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740962492 FQABVRADSUHXGW-KRWDZBQOSA-N 430.578 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(CC)C1 1740986297 VXLNOMYDGITPKW-LJQANCHMSA-N 425.555 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740990600 WZDKDNCOOWHBHF-QZTJIDSGSA-N 433.534 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccsc1 1740992275 OCVWQLUFMYSYIS-HNNXBMFYSA-N 444.604 1.479 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1741113167 HSJYHCITAWRNAP-SFHVURJKSA-N 430.534 1.356 30 10 IDEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCOC1(C)C 1743376167 PWAIDHSZSHKHCW-MRXNPFEDSA-N 447.561 1.882 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748804193 FBNPAGNFPQOFIT-CVEARBPZSA-N 439.582 1.941 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1748815127 NQDXYWXDUWANQD-OAHLLOKOSA-N 433.534 1.823 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1748815592 RTRSXTCIAKAGAT-CQSZACIVSA-N 449.533 1.058 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)N(C)C)CC1 1749001020 DWYNKEXOVBJKQF-QRVBRYPASA-N 445.612 1.754 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2nc(C)c(C)s2)CC1 1749010128 NWPTVPKXPWJMQW-KRWDZBQOSA-N 428.562 1.869 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1749159091 ONMOFNOUQLJHMJ-MSOLQXFVSA-N 425.599 1.551 30 10 IDEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749363661 LPAJEARREAAPCS-QGZVFWFLSA-N 425.472 1.256 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749411551 AKTRBDSQEOMMDF-DLBZAZTESA-N 426.587 1.156 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749740303 UDEVMQULMTUXPE-IAGOWNOFSA-N 445.545 1.943 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749773035 MMYIIYMOVYIKTM-MSOLQXFVSA-N 426.477 1.509 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCCOC(F)F)cc1 1750384906 USEGNPMYRUWCSW-OAHLLOKOSA-N 448.430 1.999 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1751038623 NKQHBJLHZYKXKF-MXLIYFDZSA-N 430.509 1.312 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCOCCS(C)(=O)=O)C1 1751278942 ZHSVRRKOMKGSTI-HXUWFJFHSA-N 432.550 1.455 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760183084 LYRIXBABMJTATK-LSTHTHJFSA-N 439.541 1.868 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760184277 IJUQGWYFVXDSLI-UGKGYDQZSA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1760190839 VAKNQXHCOJHNRB-AQNXPRMDSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1760193296 CNSDWCACFYWUMX-UHFFFAOYSA-N 437.467 1.627 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1760206270 VBNPAEGXURDRMM-SFHVURJKSA-N 442.541 1.731 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1)C1CC1 1760474396 VCSCEQACKMKTJC-SFHVURJKSA-N 443.573 1.994 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCC2CC2)C1 1760527087 YRZGBVUUKRTEAC-LJQANCHMSA-N 427.553 1.837 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2ccccc2)CC1 1760527208 OXVPNFSAZXSDNV-UHFFFAOYSA-N 438.532 1.191 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760555502 GTRRPCUKHMZMBM-UHFFFAOYSA-N 449.581 1.550 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CCCCCCO)CC2)c1C#N 1762403040 LGTFTMZHDYIISS-LJQANCHMSA-N 442.568 1.923 30 10 IDEE CCCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1764202304 YVMXQEJYDOJQGV-IBGZPJMESA-N 426.521 1.975 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1767571383 HFKULJQVNRQXQU-WBVHZDCISA-N 444.561 1.460 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1769775106 HELVZXPPHPUDHV-HSZRJFAPSA-N 437.548 1.644 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1OC 1770086042 APPWFWONHCKATE-NVAPDCRFSA-N 429.477 1.231 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1772567422 VDINOFDSMCYUTE-FQEVSTJZSA-N 429.613 1.843 30 10 IDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851652998 VXCWPPAQHLWCBG-NRFANRHFSA-N 449.536 1.446 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc(Cn3cnnn3)cc2)cc1 1851665347 XYXZMEYBNWQKFY-JOCHJYFZSA-N 448.483 1.530 30 10 IDEE CCCn1c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1852300439 RKMOAKNRAPMRHR-UHFFFAOYSA-N 434.500 1.283 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 1853216398 BYAYZJUUNGWVLJ-LJQANCHMSA-N 449.511 1.680 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1854286678 IXHCZRNJVWUQIA-ROUUACIJSA-N 436.509 1.342 30 10 IDEE N#Cc1ccc(OCCN2CC[C@H](N3CCN(C(=O)c4cscn4)C(=O)C3)C2)cc1 1856641965 AFWXCXXTFSQKBD-KRWDZBQOSA-N 425.514 1.452 30 10 IDEE COc1ccc(CN2C(=O)c3ccc(C(=O)N=c4[nH][nH]c(CC#N)c4C#N)cc3C2=O)cc1 1865878676 ORAGOQYZNLBARN-UHFFFAOYSA-N 440.419 1.826 30 10 IDEE N#CCCN(CC(=O)O)C(=O)c1c[nH]c2c(I)cccc2c1=O 1866446026 SKTOCAMIQUCJEV-UHFFFAOYSA-N 425.182 1.573 30 10 IDEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564080 UYLJXXFRIHEXIS-UHFFFAOYSA-N 443.552 1.613 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561480 MSGGTOCCWAPSLC-UHFFFAOYSA-N 428.537 1.520 30 10 IDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1OC 1874338780 XYEKLTHEYWMFSU-DKNGMTOASA-N 446.533 1.479 30 10 IDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccn1 1874338784 YASZILDSGMGETJ-QHBIDGPYSA-N 429.550 1.898 30 10 IDEE CN1C(=O)[C@@H]2CN(C(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)C[C@@H]2C1=O 1890173029 ZCLBHPFRMUVHCB-OKILXGFUSA-N 439.497 1.564 30 10 IDEE C[C@H](C#CC(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902015395 YPHSNQMJDDBMNB-QXSJWSMHSA-N 425.526 1.683 30 10 IDEE C=C(Br)CN(C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2010351592 RVTPLPVWEHEQCJ-GFCCVEGCSA-N 425.345 1.778 30 10 IDEE CC1(C)OB(c2cccc(NS(=O)(=O)N3CC(OCc4ccccc4)C3)n2)OC1(C)C 2043684640 XWLZZXPQZYGUKP-UHFFFAOYSA-N 445.350 1.939 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124524543 TUZGMOMCVMKPGH-QAPCUYQASA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)NOC(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243679377 XHUFQTKKYZFQTK-UHFFFAOYSA-N 428.320 1.433 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2255523665 JHNOKZMBAXISCD-ZDUSSCGKSA-N 438.305 1.740 30 10 IDEE COc1ccc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2255659701 WBACGWJAKIQMGY-UHFFFAOYSA-N 428.216 1.497 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2255831822 CKPAWIVFFCODME-GJZGRUSLSA-N 434.346 1.988 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC[C@H]1NC(=O)C(F)(F)F 2255864144 RTTFFOXQIBRBDW-WCQYABFASA-N 429.248 1.843 30 10 IDEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267127111 GUHZJATWKCENQT-WCQYABFASA-N 444.263 1.248 30 10 IDEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267130783 SAGIUXSIGGOLJR-RYUDHWBXSA-N 442.247 1.097 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2267478796 CKSBTSLAZYPCSF-HNNXBMFYSA-N 447.341 1.435 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267506351 WQYFUSJQBZGKEB-GJZGRUSLSA-N 448.373 1.918 30 10 IDEE Cn1cc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1 2269064059 SFFYSJXMSGLASR-INIZCTEOSA-N 443.309 1.509 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@H]2C2OCCO2)OC1(C)C 2282501564 YSRFQFRCJLOUGI-AWEZNQCLSA-N 444.384 1.500 30 10 IDEE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282831249 HCABBUWEWJVUTN-USOBGDSLSA-N 442.821 1.834 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 2297486922 OHTTWFGGKUMFGW-NRFANRHFSA-N 449.529 1.318 30 10 IDEE COc1[nH]c(=N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317502058 UWLFSSZTSKECBL-HUUCEWRRSA-N 435.330 1.515 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1n[nH]c(CNC(=O)OC(C)(C)C)n1 2337189133 YDEGQGAFXNGKQT-UHFFFAOYSA-N 447.305 1.114 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)c1 20527288 ZECDLVISPZHOTE-UFFVCSGVSA-N 440.489 1.833 30 10 IDEE C=CCn1c(=O)c(N2CCC(NC(=O)N[C@H](C(=O)OC)C(C)C)CC2)nc2cccnc21 97937963 HWAQVEFZFXSLEY-KRWDZBQOSA-N 442.520 1.443 30 10 IDEE CCN1CC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)[C@@H]1c1cc(F)c(F)c(F)c1 409511306 WNTTXUOOVIMXMX-AEFFLSMTSA-N 434.484 1.936 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccnc2C(N)=O)CC1 460188214 VVQIPDCZSGFORR-MRXNPFEDSA-N 428.290 1.966 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 465237684 NGJXWKAIOZEZMX-HNNXBMFYSA-N 437.508 1.346 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 490496264 PVBOKIZHTUMYNV-UHFFFAOYSA-N 428.518 1.441 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 499681835 NGUDBVAQYZQHKT-SJORKVTESA-N 434.518 1.306 30 10 IDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CC1 505019752 WSTDRSADDGICHH-UHFFFAOYSA-N 437.500 1.591 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)CCO)cc3)cc2C1=O 508767678 CHXBAZHZOCMFGF-UHFFFAOYSA-N 428.466 1.165 30 10 IDEE CCc1nc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)sc1C 533343386 DUNAYZINUCILFE-UHFFFAOYSA-N 433.559 1.831 30 10 IDEE CNC(=O)CCOC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 538351461 CJUWXRYHAIJNBP-NRFANRHFSA-N 445.539 1.152 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 542002158 MFBLKSHSOYXGRW-LBPRGKRZSA-N 433.511 1.787 30 10 IDEE C#CCn1nc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 585170546 KKRPCRODKQXTQJ-UHFFFAOYSA-N 428.448 1.722 30 10 IDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 603592310 KEGDIGFIYWTWQU-UHFFFAOYSA-N 436.515 1.338 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 604178510 ZPYDMZZLGRTEHR-UHFFFAOYSA-N 442.608 1.218 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2c(C)nn(C)c2C)C1=O 726401385 PBKQKPKWXPFMSP-QGZVFWFLSA-N 442.545 1.446 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 728345440 IUNUQNPJRHIWMF-LEWJYISDSA-N 428.533 1.543 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)/C=C\c1ccccc1Br 731851182 LAGVJFXUOJVLGJ-ADDYMJOSSA-N 426.292 1.866 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(COC2CCOCC2)c1 732039074 GRQXWKKCCFQPHI-UHFFFAOYSA-N 443.525 1.737 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 733154382 DTLLSQRXOZMWIB-UFBXYIFPSA-N 431.452 1.495 30 10 IDEE Cc1[nH]c2ccnn2c(=O)c1CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 733546482 GPCAPACNGDUURJ-LLVKDONJSA-N 425.470 1.866 30 10 IDEE C=CCn1c(CCN2CCCCC2)nn(CN(C)C[C@H]2CCS(=O)(=O)C2)c1=S 740867685 YJOYURDMGZMSLA-QGZVFWFLSA-N 427.640 1.952 30 10 IDEE COC(=O)CN(Cc1ccccc1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742557817 CFDVGUHXASNHLH-OAHLLOKOSA-N 429.498 1.706 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758060211 UXPCLBVUICSLDT-CQSZACIVSA-N 438.505 1.441 30 10 IDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760402852 YDXQTKIAMDGOJF-YVWYUNDQSA-N 438.550 1.653 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cn1 765547253 LSTKBIPQVNSIQO-MRXNPFEDSA-N 445.549 1.023 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 776511557 DFUWOJDETCWLTE-WPIBOPBSSA-N 435.525 1.990 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1cccc(C#N)c1 779195461 YCROPORASHNQDQ-SFHVURJKSA-N 431.470 1.695 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 782456744 HIZQNTWTGMXTLG-KRWDZBQOSA-N 433.511 1.145 30 10 IDEE Cn1nnc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)n1 782883835 KUFBDANFRWFIGO-ZDUSSCGKSA-N 441.452 1.300 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCC2(C)CC2)C1=O 794443018 XIFFFRSLWUOEJP-QGZVFWFLSA-N 445.589 1.975 30 10 IDEE C[C@@H](C(=O)OCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)n1cnc(C#N)n1 798819068 JLXFPPWGOFXAKY-HNNXBMFYSA-N 436.451 1.710 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(SCCS(=O)(=O)c2ccc(C#N)cn2)nc1 808017242 PFTODMXQEVRHMW-UHFFFAOYSA-N 440.572 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 808773143 OZDHEYLWPHBIFA-IBGZPJMESA-N 448.589 1.959 30 10 IDEE COc1cccc(C[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)n2nnnc2C)c1 916775996 LYVSRMHLIPRCHO-LJQANCHMSA-N 440.485 1.292 30 10 IDEE Cc1cccc(S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 916778229 TUZMZCMYJIXNSC-QGZVFWFLSA-N 449.554 1.953 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 921162819 UPWCDZGAWOWSLS-UHFFFAOYSA-N 441.509 1.631 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cc1 1189411458 HDDIAVXQILMUTF-SFHVURJKSA-N 447.557 1.900 30 10 IDEE N#Cc1cc2c(n(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c1=O)CCC2 1190192523 CXFXNQZYYHPMCD-UHFFFAOYSA-N 426.498 1.632 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1286376083 FEEQAYWLKBHGNK-KRWDZBQOSA-N 439.488 1.201 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286394929 QGFLZDTWPKHNGF-AZUAARDMSA-N 449.621 1.673 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1286485550 PRSTVVLTKJWBTE-MHTWAQMVSA-N 429.565 1.739 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCOCC2)CC1 1286638323 YSBCHCCFNOSDCN-INIZCTEOSA-N 426.587 1.156 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286645454 CPBRZVIXJGQMAI-OALUTQOASA-N 437.610 1.693 30 10 IDEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286703312 JETVRMFPAGBXHG-SFHVURJKSA-N 438.532 1.185 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(C)(COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286792575 CHDWTBINWAUBCP-JOCHJYFZSA-N 435.569 1.874 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1287128585 GGZLDEFFRMXFPQ-LJQANCHMSA-N 435.532 1.790 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1288997788 UMSQQRFYJSRQOI-AVRDEDQJSA-N 440.504 1.236 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1300272432 MIVFVIDYCDUFTP-IAGOWNOFSA-N 441.561 1.775 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1300402702 ABGZPFJGROQOEC-OAHLLOKOSA-N 429.550 1.353 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300494980 AVTHGZKKNPUPLW-OALUTQOASA-N 437.610 1.072 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1300556677 LNEVGGMHSZCQQA-DLBZAZTESA-N 447.536 1.958 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCN1CCN(C(C)=O)CC1 1300591729 WXLGYHYUTHRJRD-UHFFFAOYSA-N 448.571 1.793 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CC=CCC2)CC1 1300723322 RWBPXKALDSIBKB-HXUWFJFHSA-N 426.565 1.747 30 10 IDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1301187506 WMXCNDFHWMNLST-GOSISDBHSA-N 425.537 1.959 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(=O)NCC)cc2)C1 1301554474 HNAWRMBHQHGWKT-OALUTQOASA-N 438.532 1.809 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1302093733 NACYKVZHCOLAHA-HYVNUMGLSA-N 440.495 1.603 30 10 IDEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1307041676 CSEJFTLICCFJNV-FXAWDEMLSA-N 438.573 1.744 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)c1 1309076360 GVVWFTYTWHAIEN-NDEPHWFRSA-N 434.543 1.787 30 10 IDEE NC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCCN2CCOCC2)[n+]2ccccc2)C=C1 1327672032 CAWSRKIEZCJCFX-UHFFFAOYSA-O 428.538 1.410 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1358964708 FLGRJFZSQFJQKT-GOSISDBHSA-N 431.562 1.706 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358967556 MYKDKHWSVJVKRW-OAHLLOKOSA-N 434.493 1.148 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1358970534 QXAKJTUTSDJLGD-JOCHJYFZSA-N 425.489 1.415 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCS2)n1 1359028215 KWVCQEFBGGTOJL-ZWKOTPCHSA-N 443.577 1.608 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OC)c2)CC1 1359044328 CEPWUGMBHZJECW-IBGZPJMESA-N 436.516 1.252 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359048277 KLDBFVUNHOQLPF-UHFFFAOYSA-N 432.594 1.575 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359048695 ZMCFCVJOMORGFB-UHFFFAOYSA-N 441.561 1.140 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1359064012 JFEMUTZMCKRLEH-ZMYBRWDISA-N 437.591 1.850 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1359126158 HFMGPLALKUOVMD-UHFFFAOYSA-N 432.569 1.408 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359137025 BRZDNWXEJHCCDJ-YRPNKDGESA-N 436.553 1.979 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1359320641 SXDHQJYCDMAPQO-GBESFXJTSA-N 433.553 1.448 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359330450 RYWAGSNKLVEKMS-MRXNPFEDSA-N 438.575 1.478 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1c(I)cnn1C 1435471594 WRWBDMUDOBKRGC-UHFFFAOYSA-N 442.217 1.564 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1456879302 DKMFSMYJJOFIIY-ZDUSSCGKSA-N 431.246 1.783 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cccc(-n4ccc(C(F)(F)F)n4)c3)C2)c(=O)nc1O 1457197472 GAETWSIOBQHFSG-UHFFFAOYSA-N 430.346 1.722 30 10 IDEE CCOC(=O)[C@@]1(C)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1460665786 SGWNEXLHFKBZTE-DENIHFKCSA-N 432.496 1.189 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC 1471013269 OYNZMPHLQIRNDH-CHWSQXEVSA-N 438.930 1.211 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Br)ccc2C)CC1 1478984758 SGOKSGHNLVTNEW-UHFFFAOYSA-N 429.340 1.052 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)n1 1479134199 RXLUTLGXEDVTIU-QHCPKHFHSA-N 439.560 1.884 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)cc1C 1492273623 HYNFSQXLWOARTN-LJQANCHMSA-N 441.536 1.454 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1495738343 OMTKRSBIYNKYDR-NZSAHSFTSA-N 425.537 1.925 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1503716310 UZDCXHFBUGFLEW-AEFFLSMTSA-N 426.521 1.974 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](COC)OC)c1 1507551115 ATWWRWJUFBKRID-RBUKOAKNSA-N 427.505 1.847 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507574059 LJXDNWMSYFMMIT-ZWKOTPCHSA-N 439.582 1.420 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NCC#C)CC1 1507593854 VQTVNOBBTFVUSU-UHFFFAOYSA-N 438.557 1.649 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)CC 1507644467 IPMVRRWDKIHODU-LJAQVGFWSA-N 447.586 1.037 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1507660712 YHPNMDZWHGPKBG-OALUTQOASA-N 434.610 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507670214 ZSLLQRLCACVAFQ-PKTZIBPZSA-N 433.556 1.860 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)CC=C)CC1 1507732595 PYHCKHFYUSSVAN-UHFFFAOYSA-N 447.536 1.352 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCCC2)CC1 1507737184 ZNZQUQQUWLUJQX-OAHLLOKOSA-N 436.582 1.044 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CC=C)CC1 1507737879 CKKCGAJNICUKAB-GOSISDBHSA-N 447.605 1.748 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC)C1 1507777717 AQXSHZUROSKGSK-STQMWFEESA-N 436.376 1.802 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507832099 MXYIAOXWYDLFGW-JKSUJKDBSA-N 447.565 1.154 30 10 IDEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)(=O)CC1 1507842174 FQILBQGFKNJOLU-UHFFFAOYSA-N 442.545 1.958 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507845016 VFRJLKZDPDNXCK-HXUWFJFHSA-N 446.596 1.857 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1508085144 DFRLAUSNQJSXSP-UHFFFAOYSA-N 426.521 1.688 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1508088545 YWJQKCUCDYTQQM-INIZCTEOSA-N 429.912 1.038 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1508097866 WAOUSOLKRBPBHO-JKSUJKDBSA-N 444.540 1.260 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1508185043 ZJNUWZARNNZVGG-ZZEZOPTASA-N 427.509 1.129 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1508415562 BZULJWMQMIVYMZ-CQSZACIVSA-N 429.506 1.745 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 1516458409 UJSLKESYRGQZLT-GOSISDBHSA-N 427.910 1.502 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC[S@](=O)CC)c1 1539042177 CPCFIPXPTPSGEN-BJLXPSRBSA-N 429.546 1.607 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1539459613 LTALJEQIVKKIBA-SIKLNZKXSA-N 428.581 1.607 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCCCO)CC1 1539484393 NJAKAIHZGDXLKP-UHFFFAOYSA-N 430.578 1.762 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(C)=O 1539541099 YTBJTBFMJDEDPD-OAQYLSRUSA-N 429.546 1.867 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540866030 ALDDFGJXCOHEAO-INIZCTEOSA-N 429.912 1.457 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1540877030 IVBMHFCVZXJFNQ-CQSZACIVSA-N 444.458 1.327 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540916301 VLFDCKFPWMEWGR-INIZCTEOSA-N 443.639 1.952 30 10 IDEE CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1540950688 GUKVPUVSAQEPBM-OAQYLSRUSA-N 449.515 1.716 30 10 IDEE Cc1ccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C 1542401087 OTDIRUGLPAJDHQ-AOMKIAJQSA-N 428.537 1.970 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[C@H]1C 1544338259 DCACAWIVAAPNJN-WHSLLNHNSA-N 429.546 1.849 30 10 IDEE CCn1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](C(=O)NC)C2)cn1 1548367768 MJHYRUYXURLQOX-KRWDZBQOSA-N 434.422 1.870 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1555784297 ADRMBNGNXZUKHT-SFHVURJKSA-N 436.472 1.977 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 1559347684 IPHGVQOKRLIOQZ-CYBMUJFWSA-N 434.499 1.469 30 10 IDEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1560131836 LNTGVQSIQBDJBY-UXHICEINSA-N 426.517 1.799 30 10 IDEE C#CCN(C(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1565481622 RYMGRKQOQFOWPX-MHORFTMASA-N 439.578 1.996 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1587862098 SUYGLNVOZBQLTG-ZWKOTPCHSA-N 435.594 1.726 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1588140399 WLJRJROYQFNCQA-OAHLLOKOSA-N 433.921 1.380 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588241156 LJRQOTJHZPPPTE-GOSISDBHSA-N 440.573 1.592 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1589060231 PBYLODSAOMYSDN-SFHVURJKSA-N 432.594 1.144 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1589609048 UAPWMKSBZWUDBQ-IBGZPJMESA-N 435.506 1.805 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OCC)n2)CC1 1593660198 IGTJXDXTDUBKMS-UHFFFAOYSA-N 426.525 1.492 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1594566712 JROZDIDOXMTLSO-GOSISDBHSA-N 431.585 1.515 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1595239617 OIPVTYLIYHNRGR-RBUKOAKNSA-N 443.573 1.694 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(COC)CC1 1595517293 WDRUXHLCKFCIFX-UHFFFAOYSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(C)cccc2C1 1595552029 ZNNKGUMVEYVZEB-QGZVFWFLSA-N 429.546 1.354 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1595577648 ZMSIBLXLLUNKGU-QHCPKHFHSA-N 441.532 1.772 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCS1(=O)=O 1603554327 QFXCSAGNFYCQGA-KRWDZBQOSA-N 444.561 1.979 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H](O)[C@H](Cc2ccccc2)C1 1606896058 OBHMETRPLIJFDD-IEBWSBKVSA-N 427.526 1.567 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2sccc2C1 1609506648 FGGQAYGUDQCXBR-INIZCTEOSA-N 429.550 1.265 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCCCC1 1611711780 TYSYFAIVFJDETH-NVXWUHKLSA-N 440.570 1.356 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1615973710 VXRNAPWTPOLGEN-DLBZAZTESA-N 436.513 1.319 30 10 IDEE Cc1ccc(O[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1 1616329602 VXIPKUAMFOSINW-GDZNZVCISA-N 427.320 1.922 30 10 IDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OC(F)F 1619279660 BMRUYXXJHISDOS-UONOGXRCSA-N 448.430 1.616 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CC[C@@](O)(CC#N)C2)c1 1627463484 AQHRZESKPAWDHT-FQEVSTJZSA-N 438.550 1.266 30 10 IDEE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1629726440 KJDLFIMVSCGCTG-HOCLYGCPSA-N 431.518 1.275 30 10 IDEE C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[C@H](O)CN(C)C(=O)OC(C)(C)C 1630585972 ZYCIYPPJAXALNP-YQQAZPJKSA-N 432.525 1.249 30 10 IDEE CN(C)c1nc(N)nc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1636464460 ZPXRDERCXYSWTD-OLQVQODUSA-N 434.291 1.763 30 10 IDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1639587713 CHFNLBZEDGQORA-UHFFFAOYSA-N 445.497 1.708 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](O)[C@H]1CCc1ccccc1 1640091388 DKRXONJQIKMAKR-MOPGFXCFSA-N 427.526 1.710 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 1640218666 JTGSEXVHWCROGO-KRWDZBQOSA-N 438.513 1.450 30 10 IDEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1643705467 ITZRNBABXQUIJY-SFHVURJKSA-N 428.449 1.367 30 10 IDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 1645381260 ZWYXZSZXSKWYAE-KWCYVHTRSA-N 447.435 1.425 30 10 IDEE C[C@@H](CC(=O)N1CC(Nc2cccc(C#N)c2)C1)NS(=O)(=O)c1cccnc1Cl 1647932398 AHHRMMZLGBDQDM-ZDUSSCGKSA-N 433.921 1.986 30 10 IDEE CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1649576940 OSYGNJKDONLSHR-SOLBZPMBSA-N 426.525 1.931 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(NS(N)(=O)=O)CC2)n(-c2ccccc2)c1C 1655284422 XJSYDUJMMYUNQP-UHFFFAOYSA-N 430.534 1.162 30 10 IDEE C=CCCn1cc(CNC[C@@H](O)COc2ccc(I)cc2)nn1 1655513653 INWFQPMPNSQOEK-OAHLLOKOSA-N 428.274 1.988 30 10 IDEE CC(=O)c1cc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1664417126 AVSHDXFPJFENPS-NHYWBVRUSA-N 447.332 1.211 30 10 IDEE Cc1c(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)sc2ccc(C#N)cc12 1666169673 CJBDEXCQWIGZHK-OAHLLOKOSA-N 439.584 1.575 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCOCC1 1689860987 MDHGAFYDUOPBAF-MRXNPFEDSA-N 430.578 1.838 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689932165 SBIVXOKHSIEAAV-FXAWDEMLSA-N 440.525 1.831 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCN(C)C1 1690095313 MSGFVHFRYHPGNJ-OAQYLSRUSA-N 435.475 1.699 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690172813 OWZFEEIODUBWCZ-ZWKOTPCHSA-N 446.621 1.328 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1690663536 ZOBAXYAVJKPARH-UHFFFAOYSA-N 428.518 1.132 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)COCCO2)C1 1690687438 BJXXIKJPEVKLBO-COPCDDAFSA-N 436.553 1.906 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1690996232 XYJGQLDFIDTFMM-RHSMWYFYSA-N 447.521 1.873 30 10 IDEE CCc1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694704700 KTJWEIPSDZTWRD-MODMUFLJSA-N 444.536 1.389 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696055453 GBALBGJABNBMIE-RTWAWAEBSA-N 428.493 1.406 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1705476902 GUSBJKRRPQWQRN-NJSLBKSFSA-N 437.591 1.896 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1705612804 PIGJVSYVFMHXAO-INIZCTEOSA-N 429.612 1.460 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCc3ccccc32)CC1 1705632536 STASKKHZQWINLK-IBGZPJMESA-N 435.576 1.623 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC(C)C)CC1 1705647998 OUJGUPIEZLXRSZ-GOSISDBHSA-N 430.553 1.258 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2c(C)noc2C)CC1 1705650242 NPAKJQJHTPFWGB-UHFFFAOYSA-N 433.516 1.883 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1705656555 BEUAASAMRKDEMC-HNNXBMFYSA-N 427.530 1.750 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705898505 OCUAUTOPLPEWCF-INIZCTEOSA-N 445.955 1.454 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(C(C)=O)CC2)C1 1705929793 YBDSNERWBSEWLL-IBGZPJMESA-N 430.553 1.440 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1706747402 LZKULQYQBUHBMZ-HOTGVXAUSA-N 429.525 1.775 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1706832002 DTGPLRRCSORFOJ-HNNXBMFYSA-N 442.549 1.447 30 10 IDEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1708232998 LYAGUISEPFBTSX-JCFLCSRNSA-N 427.509 1.019 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)CC)C[C@H]1C 1710285627 BJSNHZJLMDUQPY-QGZVFWFLSA-N 446.577 1.694 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCS(C)(=O)=O 1711084269 BELJFUCSKSSCPU-UHFFFAOYSA-N 430.534 1.457 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712175520 NBZCRUMNELRVAP-QZTJIDSGSA-N 429.500 1.750 30 10 IDEE C#CCCCn1c(N(CC#C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722339827 YIDWKECGJKRUBN-WIYYLYMNSA-N 434.562 1.359 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722353049 RNQJOMTZGJXCII-HUUCEWRRSA-N 425.555 1.505 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722437235 LOSKBYCOPZTSOM-IBGZPJMESA-N 426.540 1.715 30 10 IDEE C=C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1722563132 FPXYPXLVBWIOBD-UHFFFAOYSA-N 425.518 1.782 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F)C1CC1 1722651846 ZTDWGTDODUTBHO-HNNXBMFYSA-N 447.536 1.904 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722694690 DWZPQCHNWUGJQK-INIZCTEOSA-N 433.534 1.269 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NCCC 1740602921 ZNOBHDSOJYVZJA-UHFFFAOYSA-N 432.550 1.181 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC[C@]2(CCOC2)O1 1740644911 YNISAOMQNDQIJM-AUSIDOKSSA-N 427.549 1.998 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1740645725 KVKMFFQTXRUJJV-CQSZACIVSA-N 431.547 1.109 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CC1 1740695863 GESPYUHLTYPTBF-LJQANCHMSA-N 443.573 1.405 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740718673 UDDROHKAGWBMNM-LJQANCHMSA-N 447.605 1.614 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1740989339 JTOJIENQQNTQNA-QGZVFWFLSA-N 447.561 1.659 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1741801583 BMRCEXRGKPBPBL-MHORFTMASA-N 430.532 1.866 30 10 IDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742325377 WZCMLFDGAMCMSR-GAJRUTHPSA-N 436.451 1.617 30 10 IDEE CN(Cc1ccccn1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747755833 XIIVAIXWLLTINJ-QQMHEVNUSA-N 437.504 1.730 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1748075956 FILKWPFPPOBLBU-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1748717601 DIDXGGADLDXGEY-IAGOWNOFSA-N 433.578 1.479 30 10 IDEE C#CCCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1748726969 LHLPKLGYEXZCBM-JOCHJYFZSA-N 430.553 1.728 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)nn1C 1748846717 KKYXTPRVTDWWHB-UHFFFAOYSA-N 429.532 1.615 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)c1 1748891478 HUFPUERIMBPAMF-PBHICJAKSA-N 425.493 1.264 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1748905248 APNCIFQZCOXIAY-KUHUBIRLSA-N 439.969 1.909 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749098322 WGXKBEQIBDMDDS-NWDGAFQWSA-N 427.303 1.415 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCOCC1 1749573854 WUOZZRQJCQWSIX-UHFFFAOYSA-N 446.577 1.958 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1750005289 ALEMRLJBOFUYOK-IEBWSBKVSA-N 442.520 1.389 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)C1 1750378293 GUULGJALKPIOOR-JTDSTZFVSA-N 441.529 1.208 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1760160749 MGZHBXXDAGGYSG-OAHLLOKOSA-N 433.463 1.351 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1760183399 OVELQZNKSQVBJN-KRWDZBQOSA-N 438.538 1.948 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1760188441 PDXLNDSDYLKMGI-ROUUACIJSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1760192962 PXNGGTAISFCPMV-OALUTQOASA-N 437.610 1.706 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1760419438 RSGLMZSVJJWFEN-SJORKVTESA-N 444.623 1.798 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1760495378 MOMADALSRJCKEM-RTBURBONSA-N 437.610 1.715 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760521939 IDDGSPJZYLCXKH-AWEZNQCLSA-N 430.469 1.030 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C)CC1 1760548957 TXQGLJCSCHQNPL-MRXNPFEDSA-N 433.582 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(CC(F)(F)F)CC1 1760558455 PLYZGDUKSGLALE-UHFFFAOYSA-N 425.477 1.100 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1766927267 CJPKHOYFDWDQLZ-XMSQKQJNSA-N 441.511 1.660 30 10 IDEE CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1 1767097003 HEBXKSDEUKPSAI-XMSQKQJNSA-N 430.601 1.572 30 10 IDEE Cn1cccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767493386 KBEKKRCHNMUYGM-GNDBUYPCSA-N 434.504 1.940 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1769559203 FCOLCVGFVSNZGI-HTAPYJJXSA-N 442.568 1.835 30 10 IDEE Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C(=O)N=c4ccc(C#N)c[nH]4)CC3)CC2=O)cc1 1850725146 WRZCNHPKLGSJAH-NRFANRHFSA-N 445.523 1.909 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N2CCN(C)CC2)cc1 1851736073 YZPWAUCUWOCQLE-OAQYLSRUSA-N 442.541 1.230 30 10 IDEE CN1CCN(c2cc(Br)nc3c2N(C(=O)c2[nH]ncc2C#N)CCC3)CC1 1852819519 DRPIPFBDLSTEOF-UHFFFAOYSA-N 430.310 1.784 30 10 IDEE CC(C)N1CCN(C(=O)[C@@H]2CCCN2C(=O)CCON=C(N)c2ccc(F)cc2)CC1 1853408013 XAZYPEJJSBKUEV-IBGZPJMESA-N 433.528 1.396 30 10 IDEE CN(CCC#N)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 1856543146 SIVUWIOURZVPGO-SFHVURJKSA-N 436.509 1.199 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3OCCc4ccccc43)C2)CC1 1857062042 CZZQSXFNEMSLDN-YLJYHZDGSA-N 431.514 1.241 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2C#N)C1 1858320499 ADYJERRXNKWZRO-INIZCTEOSA-N 435.527 1.617 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600144 CWJUKWCEKATXRD-UHFFFAOYSA-N 425.464 1.326 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1993269239 CXSQVLCWQVJSBP-UONOGXRCSA-N 426.514 1.622 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013639281 XLIHKKLNZKBXMH-HZPDHXFCSA-N 437.537 1.876 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)NCCC#CBr)NC(=O)OCc1ccccc1 2244533149 RUHOTMHGZZDRGI-CQSZACIVSA-N 447.307 1.120 30 10 IDEE Cc1cc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247831720 CQCYFDVYTAECSA-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248486383 JYXOTHDGHKEZIM-CQSZACIVSA-N 440.371 1.939 30 10 IDEE CC(C)[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2255694670 RNJMCHPBHZDERJ-CYBMUJFWSA-N 437.350 1.393 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC2)C1 2255826158 LRBVWBAUDUSSPX-UHFFFAOYSA-N 432.330 1.934 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCC1 2255882460 OWSXWXMQCCKVGT-UHFFFAOYSA-N 432.330 1.953 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267222569 BVOCTOHYDYBPMT-SWLSCSKDSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267268264 RUWXIAOHRKGQGZ-JKSUJKDBSA-N 447.341 1.481 30 10 IDEE CC1(C)OB(C2(C(=O)N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)CCC2)OC1(C)C 2267461497 RSJYLMXCQXZVDE-VXGBXAGGSA-N 447.263 1.384 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267516301 BVFLTXQXGIEZHA-FPTDNZKUSA-N 446.357 1.941 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@H]2NC(=O)OC(C)(C)C 2267600000 YTLHILLZBWCMDD-BXWNDJAQSA-N 447.345 1.290 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[nH]1 2315387867 MYPZDFCSROOQEM-WBVHZDCISA-N 433.358 1.751 30 10 IDEE Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3cccc(C#N)c3)cc21 8605459 XOFCBILNXKOCJX-UHFFFAOYSA-N 427.486 1.386 30 10 IDEE CCOC(CCNC(=O)c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)OCC 20618002 BFNNSXRDKRVFDU-JKSUJKDBSA-N 441.575 1.695 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 26733195 DEDIBEOVQSOWSR-MRXNPFEDSA-N 434.456 1.935 30 10 IDEE CCN(CC)C(=O)CN1C(=O)/C(=N/NS(=O)(=O)Cc2ccccc2)c2ccccc21 59159531 KBHSDQXZYRROFX-LSDHQDQOSA-N 428.514 1.725 30 10 IDEE C=CCn1c(S[C@H]2CCNC2=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 431217170 RBRQVFIZVWNNJI-INIZCTEOSA-N 449.558 1.133 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(C)C 447776242 BFYNHXOSBLASOV-UHFFFAOYSA-N 433.537 1.557 30 10 IDEE N#CC1(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CCOCC1 464186592 LSKAFKKHQPJQDU-GMSFPVLESA-N 431.492 1.655 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nccn(C)c3=O)CC2)n(Cc2ccco2)c1C 467159458 BYCMBWIRJTUESR-UHFFFAOYSA-N 449.515 1.472 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 486012348 BQQSKMUXPGUCDE-GOSISDBHSA-N 431.901 1.903 30 10 IDEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490218005 SOEWUDISNNCWRZ-MOPGFXCFSA-N 432.546 1.658 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)CC1 492353280 GYTLVOKMHWIZET-GOSISDBHSA-N 448.589 1.310 30 10 IDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 501970545 MGXBTGQEWCWKGR-UHFFFAOYSA-N 435.502 1.604 30 10 IDEE C[C@@H](C(=O)N(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)n1cccn1 503680326 NJNNUSFTBIFUGS-WMLDXEAASA-N 426.502 1.314 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 508477504 LQSRTTLPFAJLSO-KRWDZBQOSA-N 428.449 1.423 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 511360582 OHVQNODDWWSOBK-LBPRGKRZSA-N 436.353 1.413 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 553812486 OKMWELFSYGXMEW-QGZVFWFLSA-N 430.534 1.464 30 10 IDEE CC1(C)C(=O)Nc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 555085694 SXVFYTSZAXBQKH-UHFFFAOYSA-N 438.509 1.935 30 10 IDEE CN(C)CC1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 557396370 WSJHUVFESZTAQI-LYBXBRPPSA-N 425.533 1.012 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1F 557725309 MACYIKIRBCDOIK-HNNXBMFYSA-N 443.500 1.018 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CC2)C1=O 559143137 XJEGRDWPPLLVJB-QGZVFWFLSA-N 435.488 1.516 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccccc1 562280131 GVLLDHSMTJWLDA-UHFFFAOYSA-N 448.573 1.432 30 10 IDEE C=CCN(CC=C)C(=O)N1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 585967822 UELKHUMNAZKLLF-SFHVURJKSA-N 434.562 1.925 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C)c(F)c1 727416587 UQTJTRJZUYNZGM-UHFFFAOYSA-N 441.484 1.595 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccn2)cn1 730143703 CRYOVOQOHUXWKM-QGZVFWFLSA-N 429.550 1.498 30 10 IDEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCCC#N 730303279 AIPRIKVKHHKKRX-OAHLLOKOSA-N 439.921 1.972 30 10 IDEE COc1ccc(C)cc1C1(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOCC1 732453835 MMCPEVKCXZNVGI-QZQOTICOSA-N 442.516 1.877 30 10 IDEE N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCN1C1CC1 732648315 DDBSPFTZIIUXOC-PLTPHKKDSA-N 428.558 1.898 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)c3ccc(C#N)nc3)CC2)cc1 734602419 JZGCXYSBZQSOCH-INIZCTEOSA-N 442.497 1.340 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 746173056 HPOLWDCHERJCMW-XDOYNYLZSA-N 436.472 1.297 30 10 IDEE CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 760900148 BLBNGTGYQOZWFQ-KXBFYZLASA-N 447.561 1.042 30 10 IDEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cc1 768422415 SFTXIEQJKBAPHX-QGZVFWFLSA-N 443.577 1.577 30 10 IDEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774171993 KLYCPKKUCUUPKW-XYJFISCASA-N 437.537 1.771 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](Cc1ccccc1)C(=O)O 776637758 BCELYFRMGRQTGK-MRXNPFEDSA-N 429.498 1.565 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781137349 VMEQDIDEWBMDLW-UHFFFAOYSA-N 443.532 1.613 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)C2CCN(Cc3nccn3C)CC2)c(=O)c1C#N 791173347 QWXFGEMWCZHVHK-UHFFFAOYSA-N 447.337 1.815 30 10 IDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 796243121 RBUSIOAEXJSNNU-MRXNPFEDSA-N 441.481 1.870 30 10 IDEE COc1ccc(OC)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCF)c1 797815132 MBFDHNVJZONWAW-MRXNPFEDSA-N 426.514 1.673 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 804807415 GHBANQMGMVCYTK-HXUWFJFHSA-N 425.558 1.602 30 10 IDEE CN(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C(=O)c1ccc(Br)o1 917417766 YPVNFPVPZIKQEQ-UHFFFAOYSA-N 440.275 1.632 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(O)c3)n2N)cc1 1083935370 NMIGQDINCBRDPJ-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 1130627381 WIQRKZPKHJWXPG-UHFFFAOYSA-N 426.429 1.866 30 10 IDEE Cc1cc(C#N)cc(N(C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C2CC2)n1 1130964736 AUKVDLAIBVLNOS-UHFFFAOYSA-N 442.545 1.900 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OCC 1132934882 VUILWEWMYVOGBD-INIZCTEOSA-N 426.539 1.143 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)c3cccc(C#CCO)c3)C2)C(=O)C1 1138382346 BETLPJDJHGCMPH-FQEVSTJZSA-N 441.528 1.714 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC(C)C)nn1 1162480805 SVMQXOHEEICRPQ-UHFFFAOYSA-N 425.493 1.984 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C#CC(C)C)CC2)c([N+](=O)[O-])c1 1162990145 QSQGDCBJBDLSCI-UHFFFAOYSA-N 436.534 1.933 30 10 IDEE CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757433 QBXNWMMXHPZTPA-RISOHXOYSA-N 435.502 1.511 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1179088140 NPSZZXZVBYSYCE-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1n[nH]cc1C(=O)OCC 1213712293 ZTUVCEHXWGGIAO-UHFFFAOYSA-N 440.522 1.610 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(N2CCOCC2)n1 1286399073 XYYZOYATHGLYIL-UHFFFAOYSA-N 449.559 1.549 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1286407787 RGVUCNLAVFYXBQ-RTBURBONSA-N 432.528 1.837 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOCC1 1286442801 NGTFVGNHQUGXFO-UHFFFAOYSA-N 445.593 1.420 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)s2)CC1 1286479609 HTQCDTSYQZQEJF-CQSZACIVSA-N 439.994 1.699 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1286523399 UXAVADIRVOFPAU-LAUBAEHRSA-N 449.577 1.651 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C)C(=O)[C@H]1C 1286786503 FGWGWGKZFOMEMQ-OAHLLOKOSA-N 435.488 1.569 30 10 IDEE CC(C)n1ncc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1I 1293033407 XZKLMEZFUHJVSW-QINSGFPZSA-N 443.245 1.325 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1297801007 FXUPCSXPUKESNX-UTKZUKDTSA-N 429.473 1.454 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1299577130 REONOVVOYFBVLG-KRWDZBQOSA-N 434.504 1.880 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1300365189 QZTFYJOLHKVGAM-CVEARBPZSA-N 430.596 1.243 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1300506375 RGVRFEBFASCJKT-UHFFFAOYSA-N 442.545 1.159 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1300625691 KFHCVIUDDCUBQN-UHFFFAOYSA-N 431.566 1.346 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301170292 QWLWEJSVHYQYBB-UHFFFAOYSA-N 438.598 1.731 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1301483200 KEMHTIGIYJKSEU-GASCZTMLSA-N 445.520 1.887 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1cccc(Cl)c1 1301499115 XSOAUKOIOGDMTA-INIZCTEOSA-N 432.912 1.700 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCC)CC1 1301501526 YTPPNHIIBHDJCO-GOSISDBHSA-N 432.569 1.607 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)cc2C1=O 1302888601 UMCXTXNYCKUKOR-UHFFFAOYSA-N 425.466 1.315 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)c(F)cc2F)CC1 1310564494 VDNJDPTVHKCMEJ-UHFFFAOYSA-N 437.266 1.344 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCC3(CC#N)CC3)CC2)cc1 1312613513 BWDHHUGWSUCLKF-UHFFFAOYSA-N 435.550 1.140 30 10 IDEE CN(CCCC(=O)N1CCC(NC(=O)N2CCO[C@H](C#N)C2)CC1)C(=O)OC(C)(C)C 1313039824 HQHYQMGXGZSFAT-QGZVFWFLSA-N 437.541 1.558 30 10 IDEE CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1314486199 GCZGSOZEIPEOCJ-SFHVURJKSA-N 448.549 1.156 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cncc(Br)c3)CC2=O)cc1 1337967452 NSLAUJHAAMNWSM-LBPRGKRZSA-N 449.286 1.574 30 10 IDEE C[C@@H](Sc1nc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cs1)C(N)=O 1352473293 DBOCIBCUGDEHJP-GFCCVEGCSA-N 430.559 1.703 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1358957540 VUEQGGNCPREOQB-APWZRJJASA-N 442.607 1.310 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1358964915 JYYAAFZOIGYJCY-RKOGDMNLSA-N 440.616 1.326 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1358983898 ZZRDWWJCTYMHSN-CEXWTWQISA-N 443.548 1.927 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1359025469 PLHZIIXBNSEMGC-RXVVDRJESA-N 441.532 1.597 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(O)CC2)CC1 1359046882 JLHAULNXKKFKRX-UHFFFAOYSA-N 437.544 1.965 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 1359226771 MFRZVDDLTJEMFA-KRWDZBQOSA-N 426.525 1.247 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359299756 MVCWUAVJIUVXES-KRWDZBQOSA-N 429.525 1.093 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1Cc1cnnn1C 1360222024 INAHPXCBNZPHPC-LJQANCHMSA-N 447.547 1.924 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1360475747 DGZAMTLRZJQYFU-CRAIPNDOSA-N 439.520 1.483 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](N3CCCC3=O)CC2)CC1 1460238435 FKJAYTHCCFSKDE-RTBURBONSA-N 429.590 1.934 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)s1 1471894472 HMWDOURGALDCDW-INIZCTEOSA-N 440.518 1.795 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1479004363 KNHNNDQBZSLKNM-AWEZNQCLSA-N 427.383 1.305 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cs1 1492663465 AHZBHECKSFDHEN-CQSZACIVSA-N 432.531 1.770 30 10 IDEE CN(C)[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)CCSC1 1503389490 DQOXMUKOLQEZEE-RTWAWAEBSA-N 431.610 1.968 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1O 1504262548 BCMQOPWRMMHBRV-XIKOKIGWSA-N 438.485 1.093 30 10 IDEE NC(=O)C[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505337075 UPFJNVDNGHMAOE-JDAKFOBDSA-N 449.515 1.563 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1507536703 DLOONBOVNQBPKB-FRQCXROJSA-N 445.545 1.245 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507632314 ZCMCRAIETIRRPI-MOPGFXCFSA-N 447.609 1.282 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)nc2)CC1 1507736150 FYFDTZOJBCSVFG-UHFFFAOYSA-N 432.532 1.748 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cnn(C)c2)CC1 1507739575 RSLGNGAWDQETSZ-HXUWFJFHSA-N 439.564 1.504 30 10 IDEE C=C(Br)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1507792020 CSZLGZOFTHEEEF-XJKSGUPXSA-N 449.371 1.462 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1507847686 BZCPDWPJBKHEPT-NQIIRXRSSA-N 431.541 1.956 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1507847710 JDBYGYDPDZJAJB-UHFFFAOYSA-N 439.520 1.783 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNS(=O)(=O)CC)CC1 1507897457 JIFNKPZIFKXMQR-IBGZPJMESA-N 427.571 1.272 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507968376 SCUZNLAMFUVODH-HMXCVIKNSA-N 446.596 1.364 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCCOC)CC1 1508057748 NOMHZRCUDLOXTK-UHFFFAOYSA-N 430.509 1.561 30 10 IDEE CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1516745343 OBETWJCWGDKLHK-KRWDZBQOSA-N 428.541 1.449 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1519163867 FAQSCYACEIUTNY-MRXNPFEDSA-N 449.533 1.309 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)nc1 1531785863 IVYMTMZEDCQXBT-UONOGXRCSA-N 426.395 1.947 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1 1535349584 HSBKTFLBOBGELS-AOMKIAJQSA-N 444.536 1.707 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCO[C@@](C)(C#N)C2)C1 1536618822 KQECTDOALLVNCH-SFTDATJTSA-N 439.509 1.475 30 10 IDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C#N)nnn2Cc2ccccc2)C1=O 1538609952 FJNAAPOPOPYENX-JOCHJYFZSA-N 429.440 1.604 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1 1538982860 KGTMGFFARBBJDS-AWEZNQCLSA-N 433.490 1.251 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1539089894 UXRZIXZBKJQTSN-UHFFFAOYSA-N 439.520 1.318 30 10 IDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539116756 RJOPFLSCWWVUPU-UHFFFAOYSA-N 437.548 1.043 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1539155368 SAMHWSBOXRBCAJ-UHFFFAOYSA-N 443.504 1.289 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1539179058 NATDWESZAMVCOO-DLBZAZTESA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1539201633 BDNKJUJRMMVDGZ-IIBYNOLFSA-N 433.578 1.213 30 10 IDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)[C@]2(C#N)CCCOC2)c1 1539477189 WODXCOUPXNSWKH-INIZCTEOSA-N 430.324 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCSCC2)CC1 1539480520 AVUSVICHXJEJNW-LJQANCHMSA-N 446.621 1.187 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c(C)nn(C)c2C)CC1 1539481051 IALNWXFCVCJJFQ-FQEVSTJZSA-N 439.564 1.884 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539744064 CNJBUDNRBDFGRH-RBUKOAKNSA-N 442.568 1.947 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1540582904 ANFIVKRIROTIMB-HTAPYJJXSA-N 427.505 1.628 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540875200 DLSQCASMYCEGKK-VQTJNVASSA-N 441.532 1.852 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=CCS(=O)(=O)C2)cc1 1542161440 BZWMBAXWBJBQNT-LVZFUZTISA-N 425.532 1.573 30 10 IDEE 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CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)C1 1560193657 IASPBBJSNUOQOE-XAMWDVODSA-N 425.551 1.273 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(S(=O)(=O)NC)CC1 1562928965 BWLPENQBKBSRLH-UHFFFAOYSA-N 433.328 1.628 30 10 IDEE C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1587404955 KXNDOYLFPIHGNS-GFCCVEGCSA-N 439.490 1.604 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1587898054 DXOIJYCPOJKWLS-OAQYLSRUSA-N 436.560 1.589 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1588030265 RWTMJOSTZKQDTM-IRXDYDNUSA-N 430.578 1.976 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccn(CC)c1=O 1588099692 WIRLLTIRBBINNH-UHFFFAOYSA-N 449.536 1.651 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC)C1 1588281080 XSHZVDWIUYIAEH-SFHVURJKSA-N 444.605 1.997 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC[S@](=O)CC)CC1 1588790819 DIRUZQNCDTXUCR-WJOKGBTCSA-N 445.589 1.876 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CCC)C1 1589294836 BDVVQZQNJSQXFH-OLZOCXBDSA-N 436.376 1.802 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1595218430 JYLNKRHPXKSHFI-GBESFXJTSA-N 437.610 1.858 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595544820 MGPCZZUUNXDPAE-DYESRHJHSA-N 429.525 1.307 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(F)(F)Br)CC2)c1C#N 1612470459 QQMGWXNCJPAJDA-UHFFFAOYSA-N 429.273 1.814 30 10 IDEE CC[C@H](C)N(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1613412920 FIQFHPTZVBFKHW-BBWFWOEESA-N 441.602 1.080 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCn1ccnc1C 1613594615 MSVBKBADLLFNNQ-SFHVURJKSA-N 428.541 1.911 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1615905370 AGKVNOIWSOUDBP-INIZCTEOSA-N 442.520 1.853 30 10 IDEE COCCN(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1619875777 DYFBTBJRVOCEQI-IBGZPJMESA-N 438.536 1.214 30 10 IDEE COCCOC1(Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1620036416 VYFXPSGZQQJUJN-HXUWFJFHSA-N 430.484 1.994 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 1623603045 SHZWYOLCOGUYCE-UHFFFAOYSA-N 428.533 1.964 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 1625586787 UFICWNXKYFUJPW-JXFKEZNVSA-N 426.583 1.898 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@](C)(c2ccc(F)cc2)C(F)(F)F)CC1 1627862586 PXFIUGAVIHYZBX-INIZCTEOSA-N 436.431 1.398 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)s1 1632290104 GMIGZGHYRQLQHF-CQSZACIVSA-N 426.541 1.400 30 10 IDEE COC(=O)CN(CC#N)C(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1634209169 PWQQXEYGDIEHRB-GOSISDBHSA-N 449.554 1.765 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O 1635587603 AIJLITQYRYVLPZ-JXNBOPDTSA-N 448.520 1.457 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(I)ccc1N 1636271001 QIAQKVAOBAVGPV-NSHDSACASA-N 448.268 1.886 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1637229231 VWPWDDPRSZXSDX-QGZVFWFLSA-N 435.532 1.730 30 10 IDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)C(=O)OC 1637697552 VUAKPRWNBUNBAM-LJQANCHMSA-N 430.482 1.815 30 10 IDEE C#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1638826518 KXASDAGGGOMNAC-GFCCVEGCSA-N 426.800 1.318 30 10 IDEE N#Cc1cccc([C@H]2CN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CCO2)c1 1638975536 WVXKPWPZHHBMSK-HXUWFJFHSA-N 428.514 1.921 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CC(=O)N(CC)C3)nnc12 1641581521 BDGNJRJHCCFPJS-CYBMUJFWSA-N 426.502 1.059 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3nc4c(s3)COCC4)C2=O)cc1 1647930514 PPVKVQQDFZUUNC-INIZCTEOSA-N 439.497 1.651 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(F)cc3I)C2)c(=O)nc1O 1648028812 OTMZXGIPPRTFCV-UHFFFAOYSA-N 440.172 1.261 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1649190939 UGMJYYOWJMCMNQ-ROUUACIJSA-N 448.545 1.837 30 10 IDEE Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)ccc1C#N 1656956398 GVAXKTVOADKHFL-OAQYLSRUSA-N 426.542 1.530 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 1659727292 FLVAKCJIZPIPHD-INIZCTEOSA-N 441.937 1.557 30 10 IDEE COC(=O)c1cc(F)cc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1F 1667000839 AAVNUIHHYDENMD-UHFFFAOYSA-N 436.440 1.965 30 10 IDEE COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672353739 RXHGPXIDJLURBG-NRFANRHFSA-N 427.549 1.659 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CCO2)cc1 1683518270 SLEPZIWTRXZSCD-IEBWSBKVSA-N 427.482 1.876 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCOCC1 1684029960 JTMQRNUOGHWMEK-CQSZACIVSA-N 431.967 1.846 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1686858815 AEYSKLPMBMLUBO-INIZCTEOSA-N 426.498 1.883 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1689853017 NXYQTLDMOHZYET-DLBZAZTESA-N 439.582 1.418 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2nncn2C)c1 1689872232 RXWLALUHNXNVGR-GOSISDBHSA-N 434.504 1.753 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(COC)c2)CC1 1690134857 INQBAKVQZNESHH-VXKWHMMOSA-N 439.560 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NC)CC1 1690148907 ZPHCIXZAEKUGOV-UHFFFAOYSA-N 442.951 1.624 30 10 IDEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1693321243 FFTMVAOXZVZNQL-UHFFFAOYSA-N 443.558 1.712 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCN2CCCC2)CCOC1 1696098828 WBQXIDDDFVLFFF-KNQAVFIVSA-N 432.569 1.925 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cc(C)nn1C 1705551689 QNEKQCBDRRULCG-KRWDZBQOSA-N 429.525 1.746 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705611004 MLGSVWSCWBFRIF-WMZOPIPTSA-N 429.550 1.399 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(O)cc2)CC1 1705635417 YIKUEHOLSBHIDG-QHCPKHFHSA-N 425.533 1.828 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)CC1 1705638571 OUWPUDWCZDVNCV-INIZCTEOSA-N 429.912 1.112 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705656856 LLRBUKDXUCMUNC-UHFFFAOYSA-N 429.546 1.615 30 10 IDEE 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]1c1ccc(OC)cc1 1707284071 GRZNQBVIDOQPMN-FIQGOXITSA-N 425.529 1.305 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722366406 IQBFZOXIZJEISF-WOJBJXKFSA-N 449.621 1.675 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1722453807 CWNNFJGCYMLAAV-GOSISDBHSA-N 443.573 1.850 30 10 IDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC 1722517287 IRPAJRWMBAEXOB-UHFFFAOYSA-N 448.597 1.404 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1723772910 ODDXVZFKYKQZKN-FRFSOERESA-N 427.484 1.451 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1728641021 BNLGRBLUBRBQRS-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1740583623 UXYIHBGXFMANOY-MRXNPFEDSA-N 443.577 1.627 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1740599395 ACMQURCZMBQQKW-KRWDZBQOSA-N 430.578 1.406 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1740616310 YNNULOCICWTHDC-MRXNPFEDSA-N 433.559 1.251 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740627011 OBWXIVCDFLOOBG-IPMKNSEASA-N 444.557 1.876 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1740685051 ARUNKQFYEKADMB-RTBURBONSA-N 443.573 1.781 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1740689594 YLBAQQKHYMYYAN-QGZVFWFLSA-N 446.577 1.463 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740713260 ADKOEFXDKQNGBD-UHFFFAOYSA-N 431.525 1.840 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1740766285 FNSAUSASAQIOSH-MAUKXSAKSA-N 430.644 1.728 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740874236 PXRAOTGIIZBTTB-HOTGVXAUSA-N 434.541 1.925 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740953498 IABVWLYNRUDDFE-NRFANRHFSA-N 446.458 1.708 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740954373 KOROLNLZYPADSQ-UHFFFAOYSA-N 448.531 1.457 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740968655 DCLVTLWGNDSJND-LJQANCHMSA-N 435.488 1.299 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740990112 IVNHYDGAECOEDB-HXUWFJFHSA-N 448.549 1.110 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc2c(c1)OCO2 1740990316 QKYJQKONSDTFHM-UHFFFAOYSA-N 444.517 1.645 30 10 IDEE CCc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1744356198 CVVVUKIHAROXPH-RTBURBONSA-N 429.546 1.714 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)Cc1ccon1 1748658312 PUMXPVWYOWBAQE-HNNXBMFYSA-N 444.517 1.519 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCOC2)c1 1748698011 OSPZMJAANAQHAE-XMSQKQJNSA-N 425.489 1.337 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1748698753 JKERATOBIGQZFR-MRXNPFEDSA-N 445.593 1.787 30 10 IDEE C#CCCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1748731156 VYGRQLCYEGLAII-LEWJYISDSA-N 436.578 1.749 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748817279 HSIVNHGRHPIOFC-QYZOEREBSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748818415 BGIUUKROVWOEQN-JLMWRMLUSA-N 445.589 1.688 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1748831739 WFZLLYHEQFHUBL-WAIKUNEKSA-N 440.500 1.584 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1749053229 DIFNRRRIFNJNIU-TWOQFEAHSA-N 431.566 1.340 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1749457872 SFSHXRAZKKCHCL-KRWDZBQOSA-N 425.555 1.360 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1cc(OC)c(OC)c(OC)c1 1749681867 JZZRXGFAFKGNLU-UHFFFAOYSA-N 427.465 1.750 30 10 IDEE CC(=O)NCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1750036667 YSYIDCONZAIHAF-IBGZPJMESA-N 448.528 1.206 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@]2(O)CCSC2)cc1 1750382408 FKZVUVODPLDCSI-NRFANRHFSA-N 426.546 1.777 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCn1cccn1 1751191621 GHDUGFMVDYOHJM-MRXNPFEDSA-N 442.549 1.683 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]1c1ccccc1 1751230925 FKTAOZFNHWZRTB-OWLYRPNTSA-N 430.534 1.421 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)C1 1751276269 AWNSZBYSXGRNGV-JJRVBVJISA-N 429.493 1.734 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1760116909 LCJOJQMYJOBKCQ-ACTFIFLWSA-N 449.552 1.584 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1760193887 UUHMONXDDBFTHI-OAQYLSRUSA-N 443.960 1.802 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@]2(N(C)C)CCSC2)CC1 1760270004 ROICVOIIKRAKSN-JOCHJYFZSA-N 430.622 1.949 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760315558 GMXKVBVFZBVUKB-FKBYEOEOSA-N 432.613 1.799 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1760345014 AHMIWDSWTGXCNK-IBGZPJMESA-N 443.596 1.576 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1760346079 HIUIQRJWFYTGKW-MRXNPFEDSA-N 425.555 1.194 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760407442 DIAAAKCPZMHZFN-OAHLLOKOSA-N 431.541 1.491 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC2CCOCC2)CC1 1760449247 FCGBGNXXDYSLNS-UHFFFAOYSA-N 427.553 1.876 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1760501529 SXSSIXUSYUTMLL-QGZVFWFLSA-N 444.561 1.985 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(C)=O)CC1 1760519544 HVEYXRBTLKMBNG-UHFFFAOYSA-N 440.504 1.077 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(C)C)CC1 1760551387 CXUMKTUGTLKDBR-UHFFFAOYSA-N 435.550 1.752 30 10 IDEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1760933643 MZZVJZUUTGRKCZ-MSOLQXFVSA-N 437.539 1.934 30 10 IDEE Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762544229 SNEAHNAMZLWXNU-HNENSFHCSA-N 429.525 1.196 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(CC)nnc1N1CCN(c2ncccc2C#N)CC1 1762820524 WLHJAQJKPZEUIO-UHFFFAOYSA-N 435.536 1.787 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCOC1 1763037412 ZDDYEOBXMQSORQ-HKUYNNGSSA-N 438.532 1.927 30 10 IDEE CC[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1CCOC 1763465087 AIMLJEFPSNASKU-JLUOLNIDSA-N 445.568 1.475 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1C 1765393338 AQFFWMWWDSYXCO-DLBZAZTESA-N 425.537 1.736 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1767135497 RXMKGUKWEHZZRJ-XUTLUUPISA-N 432.488 1.841 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1767548410 GZQNJUVYHDAYCV-HZPDHXFCSA-N 426.477 1.360 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1772564686 SMKUCEJGZUJRRJ-GOSISDBHSA-N 437.610 1.838 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1 1849770940 HYMYIEOQLUSVNE-SFHVURJKSA-N 430.461 1.535 30 10 IDEE Cn1[nH]c(=NC(=O)c2ncc(C#N)cc2Cl)nc1N1CCN(c2ccc(F)cc2)CC1 1851585002 JXDGFBPWPDDSHO-UHFFFAOYSA-N 440.870 1.875 30 10 IDEE Cc1nccn1-c1cc(N2CCN(CCNC(=O)Nc3ccc(C#N)cc3)CC2)ncn1 1852009939 CWUSDEDQVFWPID-UHFFFAOYSA-N 431.504 1.786 30 10 IDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccc(F)cc4F)n3[nH]2)CC1=O 1852330929 OICOMGSXLYXBLA-OLZOCXBDSA-N 442.426 1.937 30 10 IDEE CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1852450254 JGCQJDCGBNFATB-HXUWFJFHSA-N 446.573 1.148 30 10 IDEE Cn1nncc1CN(C(=O)c1cccc(C#N)c1)[C@H]1CCCN(c2nccn(C)c2=O)C1 1853480495 DNWGXEPURRJWQB-SFHVURJKSA-N 432.488 1.092 30 10 IDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1C 1854432475 XIAPNTCFUKCZKX-UHFFFAOYSA-N 433.530 1.773 30 10 IDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1857235353 IXBFSJDLVJBGMT-QZTJIDSGSA-N 430.574 1.937 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868739009 IEBWCGBMWJHMJN-KRWDZBQOSA-N 438.546 1.963 30 10 IDEE CCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN1CC(O)C1 1870324700 WDHRYKNDUSRLCX-UHFFFAOYSA-N 428.514 1.484 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCOc3ccc(OC)cc3)CC2)CC1=O 1872917498 COXBJEXVTNZCQT-SFHVURJKSA-N 429.517 1.463 30 10 IDEE NC(=O)CSc1nnc(C(F)(F)F)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874460461 VSUYSVQAMJSCNW-PTXOJBNSSA-N 432.340 1.436 30 10 IDEE Cc1ccc(=NCCNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)[nH]n1 1889405574 QIDQOXXMOXMTAO-NHCUHLMSSA-N 438.557 1.700 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 1889621021 LNZQDRDGUDJZGX-UHFFFAOYSA-N 437.581 1.777 30 10 IDEE Cc1nc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc(-n2cnc(C)c2C)n1 1890096264 QYMOVVRRTSTAHZ-UHFFFAOYSA-N 437.529 1.970 30 10 IDEE CN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)[C@@H](C#N)C1 2010545851 AFLXDXYKFMIJRC-WMZHIEFXSA-N 427.549 1.822 30 10 IDEE O=C(CCN=C1NS(=O)(=O)c2ccccc21)N1CCN(CC=Cc2ccccc2)CC1 2042445817 YOMHJFDMHDYGBX-UHFFFAOYSA-N 438.553 1.973 30 10 IDEE Cc1cnc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255613277 YDEXODJJUYGZHZ-AWEZNQCLSA-N 433.314 1.970 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255654937 FZXCUUMUMJACRH-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)n1 2267113655 XCSLQHJDKNFJMF-NRFANRHFSA-N 449.361 1.634 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2267176827 FZRWWLJWPUDYKI-RCDICMHDSA-N 446.357 1.849 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267185122 ZPTJOKGQBKLFLI-GASCZTMLSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267267237 VLFBPWFDWFHGPH-JKSUJKDBSA-N 447.341 1.481 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2267512336 MRNUVEPVOYUSGB-NWDGAFQWSA-N 442.247 1.015 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267873482 PTVUMBIAOBOUCC-QKDCVEJESA-N 444.341 1.619 30 10 IDEE CN([C@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270528101 RZJRUGJXENLGHJ-QWHCGFSZSA-N 437.396 1.472 30 10 IDEE COCOCCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282305433 YUWIJKSCBZQXDU-UHFFFAOYSA-N 425.765 1.990 30 10 IDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@@H](O)CF)c(Cl)c2)OC1(C)C 2282503251 XCZNLEQTPCGYGD-JTQLQIEISA-N 428.118 1.901 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 18422226 NUTCFYRFFPAYDJ-SFHVURJKSA-N 435.436 1.449 30 10 IDEE Nn1c(N/N=C/c2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20291730 HENYMXDNCKNTAG-SRZZPIQSSA-N 425.474 1.940 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OC)n2N)cn1 59830060 UZDJIWQWMAHWAL-AWQFTUOYSA-N 427.494 1.560 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cn1 59830068 QVVZEBUEPDIKQK-QPSGOUHRSA-N 433.448 1.829 30 10 IDEE NC(=S)N/N=C1\C(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccccc21 72414948 HZNIOJUSDMBXHW-QNGOZBTKSA-N 432.303 1.972 30 10 IDEE N#Cc1ccccc1-c1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 106042579 JIANKUMVVIEBBE-UHFFFAOYSA-N 426.542 1.920 30 10 IDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 409532007 BLBSDHOBJXIWAK-MRXNPFEDSA-N 440.566 1.556 30 10 IDEE N#Cc1ncn(CC(=O)N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)n1 426854182 QMGCUJXEGVTKMP-UHFFFAOYSA-N 438.385 1.985 30 10 IDEE COc1cc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)c(OC)c1 430671582 XQVKHGFEICOEIL-UHFFFAOYSA-N 426.472 1.810 30 10 IDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NCC3CCC(C#N)CC3)ccc21 442971012 HFWQPXRXIMSNOA-UHFFFAOYSA-N 426.521 2.403 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 460559123 YXDKBTQBDDVCTM-NVXWUHKLSA-N 425.555 1.192 30 10 IDEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473442641 QRMKGOZUVHYGMA-NVXWUHKLSA-N 433.873 1.917 30 10 IDEE N#Cc1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1C(F)(F)F 474620436 UNYRVLHELYEVKG-UHFFFAOYSA-N 425.411 1.585 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3cccc(N4CCOCC4)n3)C2=O)cc1 483233882 JMYTXUNGLFKUHN-FQEVSTJZSA-N 434.500 1.785 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1C#N 489864962 VRPOBSRGPTYEQW-CYBMUJFWSA-N 426.545 1.312 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCOc3ccc(F)cc3F)n2)cc1 491122022 IBVMDNRYBYYFQF-UHFFFAOYSA-N 426.383 1.610 30 10 IDEE CCn1ncc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(C)nc21 507553572 OOHRUMAHJMBONQ-UHFFFAOYSA-N 438.513 1.778 30 10 IDEE COCc1nc([C@@H]2COCCN2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 508670087 KQCVIHSAVWCZTH-IRXDYDNUSA-N 440.460 1.366 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)CC1 510874125 XWBSOYQYSNHDBN-DLBZAZTESA-N 431.503 1.459 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1C[C@H]1CCCO1 520625645 TWNRSQYQMFDKHO-MRXNPFEDSA-N 439.537 1.051 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 539966778 BCZVQBVUVHHWJZ-HNNXBMFYSA-N 426.427 1.869 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 542069664 IFMXCFKNXAFXMX-DZGCQCFKSA-N 447.904 1.371 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2OCCOC)C1=O 542693195 ZLTLTJPMXUWVFM-AWEZNQCLSA-N 447.351 1.882 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 549248093 JYJVXOGRCSEDDF-PKOBYXMFSA-N 432.569 1.511 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCN(S(=O)(=O)C2CC2)CC1 556971398 FLGFUUPCXTUPPD-UHFFFAOYSA-N 428.518 1.182 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cccc(C#N)c3)C2)cc1 586052805 FHLGFFVYRISGQL-LJQANCHMSA-N 440.525 1.843 30 10 IDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)[nH]c2c1 588296276 DNKPWFPNGOEDKH-UHFFFAOYSA-N 433.472 1.573 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 604158599 ZZEASJLCWZKLGD-NRFANRHFSA-N 429.565 1.462 30 10 IDEE C#CCN(C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 729335183 JIGATBQMXBPERN-MRXNPFEDSA-N 427.544 1.288 30 10 IDEE CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747494468 BNQCKZDSDCVTLA-UHFFFAOYSA-N 430.486 1.973 30 10 IDEE N#Cc1ccc(CNC(=O)COC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749287987 BMAKVBFXHQLAIA-MRXNPFEDSA-N 433.511 1.632 30 10 IDEE CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 754436802 LEJZKSFUSCVXQO-XENKUQMPSA-N 437.566 1.420 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N(CCO)Cc1cc(Br)cs1 755700353 CEVQOKBULDNSBV-PFONDFGASA-N 443.323 1.541 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)cc1 758575932 CFTAFWLBXGCPGJ-MRXNPFEDSA-N 445.500 1.925 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 762564655 KAWAZLPSOZRTLV-YJBOKZPZSA-N 435.546 1.973 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCN1C1CC1 768720790 IFCLBGMGBZUVAT-HXUWFJFHSA-N 425.533 1.689 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCCn2ccnn2)C1=O 784126930 PXWIGMRMWAGMRO-QGZVFWFLSA-N 429.550 1.368 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)n1 789044589 JYRUSRQXKCPFCR-BHIFYINESA-N 435.528 1.831 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnnn3Cc3ccccc3)nc2)CC1 792925661 CPRKTBGDHWFFOA-UHFFFAOYSA-N 440.533 1.104 30 10 IDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)cn1 793470082 VRBIVOZEQPBFFL-HNNXBMFYSA-N 445.504 1.439 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 802560321 RGWMVHLXUGOZNH-GJZGRUSLSA-N 442.586 1.958 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C[C@H]1CCCO1 812274017 RFULSNVVABQBBA-CYBMUJFWSA-N 436.484 1.488 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2=O)cc1 1130215535 JWRRWDBXAZHSMN-DOTOQJQBSA-N 425.466 1.262 30 10 IDEE N#CC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(F)(F)F 1133828208 SXCVYOMHUXZSSP-RISCZKNCSA-N 431.392 1.584 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)ncnc1-2 1136683632 JNVQWJQICPVXDR-UONOGXRCSA-N 440.305 1.703 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC(=O)NCC#N 1157079020 VWMFNLADLJHXHN-SFHVURJKSA-N 440.504 1.123 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CC2(O)CCOCC2)CC1 1168941194 NFYGYQWFIIDWHX-RTBURBONSA-N 438.366 1.924 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1178114924 DGGUWIAGTNVYAK-ZDUSSCGKSA-N 425.573 1.410 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1227458565 DCFAVKCBFGXGQB-QZNHQWIBSA-N 426.539 1.354 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCCCN(Cc4ccccc4)C3)C2)c(=O)nc1O 1234395721 HAZLGBSQUFJALS-LJQANCHMSA-N 436.516 1.832 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1254416920 XENPMDNMVPFIOE-FPOVZHCZSA-N 449.559 1.778 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389630 NRUIRIXBPTWJMI-RBUKOAKNSA-N 445.593 1.180 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1286392160 AYFPZLVRYXUPND-IRXDYDNUSA-N 430.530 1.618 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H](O)C1 1286400822 GXUGDEGEESFTIP-MJGOQNOKSA-N 426.542 1.973 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286411455 VICKTZPHKMVXEN-IBGZPJMESA-N 446.477 1.990 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2CCOCC2)CC1 1286494853 UJFSWCAFYNHDKG-UHFFFAOYSA-N 442.608 1.699 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCn2ccnc2C)CC1 1286495394 UZRMVXYATUBJNC-LJQANCHMSA-N 425.537 1.691 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286506482 JADYGWDQVQHUKM-JKSUJKDBSA-N 432.550 1.011 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1286522153 HYRFTCUWAYLLHX-DYESRHJHSA-N 429.546 1.402 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1286784227 BHRCWYRXLSXLEC-QGZVFWFLSA-N 440.548 1.949 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286822546 FPYAIZTVYIQBOJ-KRWDZBQOSA-N 441.598 1.105 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1286962598 CRZVGYZKIUXHCJ-CYBMUJFWSA-N 438.941 1.529 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](C)N(C)C1CC1 1288780670 HIAIXVPHRZXWOX-CVEARBPZSA-N 445.593 1.879 30 10 IDEE CN(c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1)S(C)(=O)=O 1293001713 QQZWXBAUHGSRLM-UHFFFAOYSA-N 439.490 1.449 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2nc(O)n(CCN(C)C)c2c1 1295048486 TZBGYCKCOQQORN-HNNXBMFYSA-N 434.504 1.316 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1295173340 APTWOLVJTKMLTH-LJQANCHMSA-N 428.562 1.926 30 10 IDEE CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1295613263 GIRWUNUBQFRUIV-MBOBHEEDSA-N 449.515 1.782 30 10 IDEE CO[C@@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)C1CC1 1299507469 AXCGEDFXFBFFQM-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccnn2C)cc1 1300240599 PLIOLGINCARKHP-KRWDZBQOSA-N 432.502 1.144 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1300423124 IGLYYFQEMDCXDF-SFHVURJKSA-N 442.541 1.906 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1300491233 FJEZNNDVHZJBFY-QGZVFWFLSA-N 445.574 1.313 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300497057 XDFXNYQAGHHAQF-OALUTQOASA-N 433.578 1.061 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(COC)cc2)CC1 1300683269 YTAXAYVARHFGAF-UHFFFAOYSA-N 445.527 1.875 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccncc2Cl)CC1 1300719488 CSWQEJMLWPKRMJ-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)O)CC1 1300730564 AORNEMDYJDXTEK-UHFFFAOYSA-N 441.532 1.602 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC)C1 1300877128 WGFKQILMFPJPGH-MHORFTMASA-N 441.598 1.875 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300990109 TUUYZVQWUQHASH-RBUKOAKNSA-N 433.553 1.592 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1301384360 UTBUJTFXMKMGOT-MWTRTKDXSA-N 436.516 1.910 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301501304 UYCFHVQQWNTVFC-QZTJIDSGSA-N 445.568 1.404 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)Cc2ccccc2)C1 1301536115 RIUZKMSMVUZYLX-IBGZPJMESA-N 440.548 1.856 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(C)C 1303721270 CVDZJHGYZQQGQF-IXDOHACOSA-N 425.541 1.109 30 10 IDEE CCOc1c(Br)cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC 1305590911 VAZOZLLUDZACQE-UHFFFAOYSA-N 449.261 1.687 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1314491141 YEGWNGVNZUXFHX-FQEVSTJZSA-N 437.504 1.867 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)OC 1315807180 FYOPRKBRYALKKV-WDSOQIARSA-N 440.504 1.105 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316540363 UONWPTWKZIDXJV-QXAKKESOSA-N 442.495 1.732 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1C#N 1341945650 RQMOFLVZDSRKFB-QGZVFWFLSA-N 431.470 1.695 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358961789 FGUHYVGTWJCOEW-PKOBYXMFSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1358968028 XYHISNFROSMOIR-BJLQDIEVSA-N 438.594 1.893 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359126682 VOSZQANZNSEPAG-PMRDEQMMSA-N 427.571 1.078 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359230110 GKTAUJXDXCPCEA-MDPIYQRISA-N 436.553 1.979 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359300127 UOUPRBALXBNGDP-ZWKOTPCHSA-N 432.569 1.811 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)CCS(C)(=O)=O 1359330081 GFOVEEJTLJBJBH-UHFFFAOYSA-N 426.564 1.335 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1359467457 SHBKJJRPPZZZGO-MDZRGWNJSA-N 425.555 1.349 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1359623670 BMYXYKKFJCAUTM-HXUWFJFHSA-N 438.532 1.973 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)CC2=O)cc1Cl 1472218913 AGFDTFWJCYRNQK-WQTXXOFMSA-N 431.920 1.938 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCN(CCC)C3)nnc12 1472604713 GOSATJDNEDXZAU-HNNXBMFYSA-N 426.546 1.923 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)c1 1475432745 YLLIOEUQVHBMKA-SFHVURJKSA-N 447.532 1.933 30 10 IDEE COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NCC(=O)NCC#N)c1 1478602329 IWKXWINTROHMGC-QGZVFWFLSA-N 431.493 1.638 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1501426980 UXXXYNOZWUIPGH-UHFFFAOYSA-N 445.531 1.335 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1502372452 MJWZTTMGMGMVFX-QHCPKHFHSA-N 435.532 1.838 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1504962896 ARWSUDKPMUCDKP-WMLDXEAASA-N 429.518 1.411 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1507539975 YCXHXJLLJXBJDO-NVXWUHKLSA-N 432.546 1.898 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1507595794 XSZGVTXGCIPDKV-UHFFFAOYSA-N 440.552 1.181 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1507632138 XLYIUBFRKNEPRH-KRWDZBQOSA-N 432.550 1.265 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507669900 VBKRVAGHWHKZBM-DLBZAZTESA-N 425.455 1.508 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCSC1 1507707431 WMMMNJMGMSKIJP-NRFANRHFSA-N 432.546 1.916 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ncnn2C(C)(C)C)CC1 1507736184 GVNXPXCWXAPKHJ-UHFFFAOYSA-N 447.547 1.701 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1507757036 TZYNEYJHWPLJDW-GOSISDBHSA-N 429.546 1.195 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507800466 NONAWEJYYYYNAD-JZXOWHBKSA-N 434.566 1.976 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1507808194 QKDXBSJALVGOGT-LZNRXBQRSA-N 427.553 1.823 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1)C1CC1 1507988862 WUEPENFWVCCLRK-HNNXBMFYSA-N 446.577 1.793 30 10 IDEE CN(C)c1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1516994406 AADSCDOAJNOSIK-HKUYNNGSSA-N 444.561 1.218 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1519178528 ILWGLMRKZBLDBN-VYDXJSESSA-N 432.500 1.980 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1Cc1ccc(C#N)o1 1519336272 URYDDCRTZXXMAX-DAYGRLMNSA-N 428.493 1.477 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1539194253 VEFYSDIAOBAQPX-LJQANCHMSA-N 434.338 1.756 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1539219849 GAZMRKIGBMHMBH-ROUUACIJSA-N 431.562 1.746 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1539231657 UWUGFOVABKWQGH-LJQANCHMSA-N 432.546 1.636 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1539300957 YRFISKLNWWULFZ-NZQKXSOJSA-N 429.565 1.502 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1539302002 ZVCCEWKVANPCLF-HSZRJFAPSA-N 440.500 1.585 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539406388 ZUZOKYMQNKEIRZ-GOSISDBHSA-N 447.561 1.464 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(C(C)C)n2)CC1 1539446159 SHAGAEAYLJJCOR-QGZVFWFLSA-N 427.578 1.807 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1539556674 GHJPDFGYOGBFRS-HRAATJIYSA-N 442.545 1.711 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1540077845 TYZKGJHQVMLNBT-IIBYNOLFSA-N 436.557 1.275 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1)C1CC1 1540094290 FGBJRGRXHPZVIV-AWEZNQCLSA-N 432.550 1.451 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(C)(C)CN1CCOCC1 1540868725 PDWIULXKTRZJKP-UHFFFAOYSA-N 441.580 1.745 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)N(C)C 1541840267 GZAJONHTBDXRLW-INIZCTEOSA-N 433.520 1.354 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)C1=O 1542596222 BMNADUZQGABJJD-UHFFFAOYSA-N 434.880 1.728 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC1 1542894800 MQCVSYDDCKVZNU-UHFFFAOYSA-N 428.533 1.609 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)s1 1543505817 ARUDCXBXRHQOOY-CYBMUJFWSA-N 428.605 1.390 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1554407256 MRZPWLKXYHDMMH-OAQYLSRUSA-N 448.474 1.973 30 10 IDEE Cn1c(NCC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1559258007 NTSKOEHSTKTFFB-INIZCTEOSA-N 427.505 1.894 30 10 IDEE CCOC(=O)[C@@H](c1nc(Br)sc1C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1560169050 XQYFCDWUQHKYQD-NVBFEUDRSA-N 448.364 1.688 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2=O)cc1 1585465592 YFLSSUVPNVRPMV-ROUUACIJSA-N 438.488 1.170 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1587878950 LKXCCPDEFUNAKE-UHFFFAOYSA-N 429.594 1.817 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588054601 OHYDHWKTFGEONM-ROUUACIJSA-N 432.550 1.352 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1588228357 DSOKMTZAALZMCI-MRXNPFEDSA-N 445.570 1.135 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)cc2c1 1588574786 SCFMLOPMODAWRU-INIZCTEOSA-N 444.561 1.812 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)NC)c2)CC1 1588848508 IOEBOBZFKDKLKA-UHFFFAOYSA-N 429.528 1.427 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC)OC)CC1 1588884500 CGNIJMDTAXOTBM-QGZVFWFLSA-N 439.520 1.316 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1588975203 FGQDLTSOEZZJCJ-INIZCTEOSA-N 439.545 1.493 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1588976409 XEMOGWULGIRQCV-ROUUACIJSA-N 435.594 1.947 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@H]1C 1589305979 VEDUAYBVYSAMRW-ZIAGYGMSSA-N 430.347 1.968 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1593763438 KLZHYQZEXYAFMY-UHFFFAOYSA-N 440.552 1.418 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1594626294 MBMJAFBPQZFOLA-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1594783865 KLOPQTRTHDZIFM-NRFANRHFSA-N 428.493 1.514 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1595296673 ILPAQEKGLUUWFM-UHFFFAOYSA-N 444.414 1.323 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 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438.532 1.992 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1695019508 WDIUBFDPKOWJNK-BSBNDGSWSA-N 443.552 1.813 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)C1 1696927917 AZEBTRHXBTUFCG-QFIPXVFZSA-N 435.488 1.962 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1705490643 OCYSDNZSJTWADU-MRXNPFEDSA-N 448.531 1.216 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705510820 ZFABPNVWJTXLMB-HZSPNIEDSA-N 437.488 1.848 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1705568505 OTDOVKNJXRAROI-MSOLQXFVSA-N 446.577 1.524 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1705569164 CWBYYISNLPIQAL-LJQANCHMSA-N 427.530 1.237 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1705583218 SNJZXRKFPRHSHN-FDDCHVKYSA-N 443.548 1.820 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1705596981 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448.575 1.246 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1722384825 VISALZQESGWYLF-IBGZPJMESA-N 427.530 1.041 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCC[C@@H]1C 1722428413 YUXAWRVBGFSNPB-KKSFZXQISA-N 431.562 1.907 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1722473599 FZDUNDKXPHWBSA-LAUBAEHRSA-N 436.578 1.758 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722574902 SPXCJSKHWCNSNL-XIRDDKMYSA-N 427.571 1.342 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1722582844 KQAILUAPTMDHIM-CQSZACIVSA-N 427.571 1.880 30 10 IDEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722607087 MEHBDYJVHQUSKE-HNNXBMFYSA-N 446.458 1.660 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1722630057 UIISKLYREAKAHA-ROUUACIJSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1722703657 DUALWNSNRVFFPI-CYBMUJFWSA-N 434.953 1.838 30 10 IDEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1723035233 JEKUGXOTDOSDAJ-OAQYLSRUSA-N 429.546 1.993 30 10 IDEE CO[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729835035 AHSYVDPWKMXSLK-YJBOKZPZSA-N 428.541 1.795 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1730482289 AHHLHBHDWVGQPR-FXAWDEMLSA-N 433.509 1.816 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1730635453 UOZVJZKQRPTLEK-GKAYAJSDSA-N 438.532 1.760 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1730907946 CAZGFUBDCRFQIW-SJORKVTESA-N 426.477 1.031 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740580971 MCSSGUFKGUNKIQ-HOTGVXAUSA-N 425.555 1.076 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1740610204 UKPHUSYIOLDJOS-SFHVURJKSA-N 429.546 1.412 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740621946 QNZILEORMYVVAC-ZWKOTPCHSA-N 447.561 1.106 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622032 SLRGQOLHEGTDLY-SFHVURJKSA-N 430.578 1.774 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1740644777 TXCSQIKFQPLDNM-UHFFFAOYSA-N 428.537 1.746 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1740657442 SFNJTAOVZTWQHR-HNNXBMFYSA-N 428.543 1.401 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1740717549 VOUNXPOWMRDQTQ-ROUUACIJSA-N 437.635 1.611 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1740851471 XDXIKWCVUAGHGM-INIZCTEOSA-N 438.598 1.634 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCCOC1 1740955900 DBIYHYAFPXRDCL-MRXNPFEDSA-N 437.508 1.086 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740985200 DHLMBKJHPPMXHF-FGTMMUONSA-N 425.599 1.549 30 10 IDEE CC(C)N1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741629799 KPHZWTSFFIWELH-VZCXRCSSSA-N 436.520 1.397 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1741994151 NEDZRPVZBHKVIO-MRXNPFEDSA-N 436.520 1.970 30 10 IDEE CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1746363786 AGSNPWGUBSAQJZ-KRWDZBQOSA-N 440.533 1.348 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746713221 HEBCSZUKYNBEJO-VFNWGFHPSA-N 428.493 1.535 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748088850 UXUHASTVYASLJY-CQSZACIVSA-N 439.520 1.479 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748811322 DSWLUJHZNZHXRA-KZNAEPCWSA-N 444.561 1.567 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748819489 PFVZZGOVVQSXGD-OALUTQOASA-N 429.546 1.316 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(C)=O)cc2)CC1 1748994639 LITMRZKROSMHFW-UHFFFAOYSA-N 446.559 1.902 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749140396 OQGMZQHKJGGQFJ-BQFCYCMXSA-N 444.540 1.328 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C 1749557912 ODXOJDWTOSIBKY-IPMKNSEASA-N 443.596 1.595 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1749637015 FRQQCCUGOPUDSF-KRWDZBQOSA-N 434.504 1.833 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(OC)CCCC2)C1 1749696737 DEUJUNIOIFTAPF-JKSUJKDBSA-N 427.571 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)NC)CC1 1749730086 ZDMKWSUHKVQEFS-UHFFFAOYSA-N 434.566 1.237 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cs1 1751782725 MNRQAFCLXHYXLF-HNNXBMFYSA-N 436.563 1.187 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1760190268 ZHTTWVSSYJXXHM-MOPGFXCFSA-N 444.557 1.774 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1760216530 RDKCDXQUHWYHLP-MRXNPFEDSA-N 443.529 1.436 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1760233484 AWMOCQSBFVKEKE-NRFANRHFSA-N 436.560 1.694 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1760242056 RJRNANZPFOAVPS-QGZVFWFLSA-N 433.509 1.443 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C/C=C/c2ccccc2)CC1 1760254456 XMYDDVCKNLEMAO-VEGGFIAOSA-N 428.562 1.357 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)CCN1CCOCC1 1760552266 IXCGKQKUWAACQT-UHFFFAOYSA-N 437.541 1.453 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760552638 VSXDUXDJUHISSL-SFHVURJKSA-N 446.577 1.099 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(NC(=O)COC)CC1 1760553510 UNGIVEFAIACUDJ-UHFFFAOYSA-N 447.561 1.277 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1OC 1764991816 ARBJWWOXRNPSGA-SFHVURJKSA-N 447.499 1.992 30 10 IDEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)cn1 1767470184 BBZKTAZGVUEOCU-UHFFFAOYSA-N 425.518 1.612 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)CCO1 1769253400 SSUPKOQOEPDSAU-GOSISDBHSA-N 442.426 1.611 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)C1CC1 1769819094 HPLNMFOPGSCZDF-AUSIDOKSSA-N 438.532 1.915 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1770106812 KRSPPCPCXHDJPR-UHFFFAOYSA-N 441.532 1.990 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCCCCO)c1 1771531583 UVOMHTKOOSVDJZ-OAQYLSRUSA-N 429.546 1.994 30 10 IDEE O=C(CN1C(=O)N[C@@](c2cccs2)(C2CC2)C1=O)ON1C(=O)c2ccccc2C1=O 1772793450 YZTRHDCIUAMJCR-HXUWFJFHSA-N 425.422 1.660 30 10 IDEE Cc1ccc(N(C(=O)[C@@H]2CN(C)C=N2)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1848449722 VOUKHMHXVAGZHW-KRWDZBQOSA-N 428.518 1.676 30 10 IDEE N#Cc1ccc(N2CCC(C(=O)NCCN3CCN(S(=O)(=O)C4CC4)CC3)CC2)cc1 1852165900 ZLJMYZLALPUEEK-UHFFFAOYSA-N 445.589 1.001 30 10 IDEE Cc1ccc(Br)cc1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856093119 YWRXWYIQNSXZLB-UHFFFAOYSA-N 428.308 1.674 30 10 IDEE N#Cc1ccc(COc2cn(Cc3ccc(O)cc3)c(CN(CCO)CCO)cc2=O)cc1 1870350444 GSJFEFJWNOUMAS-UHFFFAOYSA-N 449.507 1.839 30 10 IDEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870386413 ODEMMPDTJJMDRL-UHFFFAOYSA-N 439.560 1.463 30 10 IDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(O)c(O)c1 1874295376 YBIVXJMBADKFNW-AWQFTUOYSA-N 428.430 1.648 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2CC[C@@H]21 2255630522 LJARTBMXMWZZPS-GJZGRUSLSA-N 432.330 1.933 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2255677437 IGPCFQYWEBJNST-INIZCTEOSA-N 434.342 1.910 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2255830308 DGWXHKYGPMWOGB-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)N(CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255879269 MMGCNZUGWBPKIL-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2255880429 FXYGXIWWJMTMFZ-STQMWFEESA-N 435.334 1.147 30 10 IDEE Cc1nc(NC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256615793 XDMKBEUSOAPVMK-GXTWGEPZSA-N 436.318 1.297 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2259122079 FCHOXGLTDKIMQI-UHFFFAOYSA-N 437.321 1.938 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2267265002 ZDRSHLBNGWTEGC-RDJZCZTQSA-N 449.357 1.424 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)n1 2267505488 JFJLUCXALXEWOC-YSVLISHTSA-N 446.357 1.847 30 10 IDEE Cn1ncc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2269068912 QYDWECIOQXXUBZ-INIZCTEOSA-N 443.309 1.509 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)ccc2F)OC1(C)C 2282419079 MOAOYQWUYAEUDU-CYBMUJFWSA-N 427.303 1.508 30 10 IDEE CC(C)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2315601388 DBBCNOMGVMOWCD-AWEZNQCLSA-N 436.362 1.998 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](O)COCc2ccccc2)n1C 2337283738 RXXSDEILDPWQNC-SFHVURJKSA-N 443.353 1.677 30 10 IDEE Nn1c(N/N=C/c2ccccc2O)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 20527343 UUSATDFNBIECPL-DJKKODMXSA-N 428.434 1.783 30 10 IDEE CC(=NOCC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCO2 254303484 LZJPWKQUPMIMHG-CYBMUJFWSA-N 427.413 1.825 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 410191307 CSVDVLFOIYRFHU-NVXWUHKLSA-N 439.969 1.761 30 10 IDEE C=CCN(C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(C(=O)OCC)cs1 443868535 MYCCOIGPFXJZJT-XOUADPBQSA-N 433.486 1.391 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@@H]1CCCO1 447269520 BQCODPVLOIAOPD-ZDUSSCGKSA-N 435.958 1.609 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 462739221 NPPOIJNZIJDVCS-QFIPXVFZSA-N 427.593 1.918 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)c1 476214536 BTKMRQFNBUATKG-FQEVSTJZSA-N 439.516 1.698 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 482306935 DTFRUDUOBTYHJR-BBRMVZONSA-N 437.468 1.471 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1 484152976 YKFROSGNSQLOLL-UHFFFAOYSA-N 426.498 1.946 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(Oc3cnccn3)CC2)CC1 488713886 DQTPUOAXPCKZPN-OAQYLSRUSA-N 438.507 1.868 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)C1=O 490217312 OJLHAYLXKFYHAA-WMZOPIPTSA-N 434.443 1.582 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]2CCCO2)c1=O 505700923 SJUWZGABCHQSBJ-OAHLLOKOSA-N 428.558 1.639 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cc(Br)cn4C)n3C)CC2)c1C#N 508706900 RQJTVDQMYQCDLF-UHFFFAOYSA-N 444.341 1.823 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 508797068 YSVLRHQEASSXTH-HXUWFJFHSA-N 429.521 1.762 30 10 IDEE CO[C@@H](C)c1noc(CN2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 513786231 CAKFAZKZVGRRTB-INIZCTEOSA-N 433.534 1.630 30 10 IDEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cc(OC)cc(C)n2)c1=O 537394200 JZZBWCHNCPYJBL-UHFFFAOYSA-N 432.505 1.950 30 10 IDEE Cc1cc(C)nc(N2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 543040368 GPFOOCKHEAMVNQ-FQEVSTJZSA-N 433.516 1.992 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@@H]2CC2CCC2)CC1 550502542 LHZNCHWMJRJDQM-FQEVSTJZSA-N 446.573 1.282 30 10 IDEE COc1ccc(CN2CC[C@@H](NC(=O)c3cc(C#N)c(SC)nc3O)C2=O)c(OC)c1 568676724 OBACUIDATZYRAK-MRXNPFEDSA-N 442.497 1.929 30 10 IDEE N#CC1(CS(=O)(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CCCC1 572565842 MAKHMABBLUAFGR-INIZCTEOSA-N 429.539 1.982 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCOC2)CC1 576414202 IYQGHKZAFKYLKY-LJQANCHMSA-N 442.539 1.469 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ncc(C#N)cc2Cl)CC3)CC1 582194385 GCFNSOAMUPSKNK-AWEZNQCLSA-N 441.923 1.183 30 10 IDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CC(=O)O)Cc1ccc(C#N)cc1 586150511 MVIBNMUYTITFIF-UHFFFAOYSA-N 443.481 1.969 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 603590713 XXMKIRLEWMCAQC-GOSISDBHSA-N 430.553 1.019 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611618590 APDOOVNUYFSKOX-LJQANCHMSA-N 426.498 1.721 30 10 IDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 615306988 BJZKOQMCZOLEFU-SFHVURJKSA-N 436.859 1.806 30 10 IDEE CNC(=O)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1 619858658 IYJIPMLPJOKXJP-SFHVURJKSA-N 438.532 1.975 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 669808696 XKCCUMOTIGXUFZ-BZSNNMDCSA-N 439.582 1.440 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3ccccn23)CC1 685534735 MYPNJAQJFVBQLU-AWEZNQCLSA-N 430.538 1.501 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 751926909 XNKUPPFSXGZQKE-NVXWUHKLSA-N 433.578 1.437 30 10 IDEE COC(=O)[C@H](OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 767540015 UDRXRPXKSJGOMQ-JOCHJYFZSA-N 436.468 1.840 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1)c1cc[nH]n1 772198228 CARNYZDXZVDTBN-KRWDZBQOSA-N 448.483 1.824 30 10 IDEE COc1cc(OC)c2c(c1)C(=O)N(CCS(=O)(=O)c1cccc(C#N)c1)S2(=O)=O 790039440 KAIMXKLJXFOZJC-UHFFFAOYSA-N 436.467 1.194 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 798079798 FACSZGAKPDJTAF-HLLBOEOZSA-N 435.546 1.988 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 800782154 UZWYDPSWYHCNRM-GJZGRUSLSA-N 425.555 1.860 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 812180384 VGDZKJDYAGLWFE-OAHLLOKOSA-N 441.554 1.397 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)cc1F 813682093 XHRFUZLEBHANMI-ZDUSSCGKSA-N 433.465 1.482 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)O1 1125244956 WGTVRRLANKBGSO-UVMAJNDESA-N 437.518 1.939 30 10 IDEE C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)O2)CO1 1133891061 UYUMSQXUIBSTLH-WVBUVRCRSA-N 447.557 1.802 30 10 IDEE C#CCN1CCCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1136863098 OTFNGEMAFYVUFW-UHFFFAOYSA-N 431.334 1.688 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@H](n3nncc3I)C2)CC1 1153135587 IWSZTVDIOZHNRY-AWEZNQCLSA-N 427.290 1.391 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(N)=O)c2ccc(Cl)cc2)s1 1159475788 DOQNAUUUJNETRR-INIZCTEOSA-N 427.935 1.751 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)CC1 1201995975 AYRMEJSHRAAPRP-UHFFFAOYSA-N 449.895 1.469 30 10 IDEE COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)ccc1C#N 1264273514 GOGAXPGEXLVSQO-UHFFFAOYSA-N 444.513 1.764 30 10 IDEE Cc1cc(C#N)cc(N(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C2CC2)n1 1278739951 WMXRNDXDGPBLAO-UHFFFAOYSA-N 429.502 1.430 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1286316917 MVUVLAGXJALFHR-QGZVFWFLSA-N 446.577 1.724 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1286342118 MKYBRMAZSQZZPL-HOTGVXAUSA-N 433.534 1.578 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1286387708 UOAZSUNGUWTLNR-HRAATJIYSA-N 448.520 1.516 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1(NC(=O)OC(C)(C)C)COC1 1286435410 AHUIBTAMCPUURB-UHFFFAOYSA-N 448.568 1.950 30 10 IDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286450478 SOONAEFBFROBPU-SFHVURJKSA-N 431.562 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCSC2(C)C)CC1 1286490497 MBXQYGRJVXTDBB-SJORKVTESA-N 444.605 1.727 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)CC1 1286566214 RDIVLFNWVMSFMB-VQIMIIECSA-N 432.525 1.270 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1286569029 ZXXMVDYICMXCTG-XMSQKQJNSA-N 436.516 1.988 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286601721 SZFGJZDULXZOSJ-LJQANCHMSA-N 435.575 1.861 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)s1 1293252392 JPXOEZKZHWFMKN-KRWDZBQOSA-N 440.635 1.382 30 10 IDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)C1=O 1298879371 SZWPNHMGYDCANU-JOCHJYFZSA-N 434.504 1.577 30 10 IDEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@]1(O)CCOC1 1299842313 WQLKYNXBOQNCRO-NRFANRHFSA-N 435.546 1.253 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1300300563 HTBWXIXHERGPNR-QWHCGFSZSA-N 449.392 1.802 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1300488649 UBYBDAMVKFBMGC-KRWDZBQOSA-N 428.493 1.493 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1300494034 XUZKFBXYBLLPKE-MRXNPFEDSA-N 435.575 1.824 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300503164 AWYIIYGWHOUGMP-SIKLNZKXSA-N 446.573 1.739 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@@H]2C)CC1 1300689423 VJPPQZVBPOUIFK-QFBILLFUSA-N 428.562 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)CN2CCCC2)CC1 1300725886 LFFDNOAYXBBVFR-QUCCMNQESA-N 428.581 1.480 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1300801652 BDVMIBMRGGWPBX-HSZRJFAPSA-N 436.564 1.923 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1300868692 GSGIOCKRDLKPMO-QRWLVFNGSA-N 427.505 1.880 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300948858 DZDNAYZCPSKJTB-ROUUACIJSA-N 439.582 1.727 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)NC)CC1 1301114374 QWJUIXNWDMNEOS-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301223607 ZMEATPRCSPTNFO-SJLPKXTDSA-N 449.581 1.305 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CC)C1 1301539043 NGBXKNOLFUWYGD-IXDOHACOSA-N 426.587 1.154 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1301578420 AISBKKNBCLDMTQ-IAGOWNOFSA-N 436.582 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1301578490 CCGBTVXLOXGWDD-INIZCTEOSA-N 434.566 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1301588561 HKSAHKBIOYKHNF-CYBMUJFWSA-N 438.472 1.276 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1301808601 GJFDMHMQKAOAKQ-UGKGYDQZSA-N 426.521 1.968 30 10 IDEE CC(C)OCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1303546004 IFRYZYSUGKVMCB-KRWDZBQOSA-N 433.534 1.892 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(Cl)nc1 1303836115 HZUIDJNPQVASBO-MEDUHNTESA-N 427.893 1.427 30 10 IDEE CN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1314688450 UDWGFEPWNJXBMQ-SYWZAZHRSA-N 432.550 1.640 30 10 IDEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)n1 1314906208 DTGILVOHEIOJBA-UHFFFAOYSA-N 439.545 1.806 30 10 IDEE COC[C@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315815713 KWYIDTBLHYUASW-NVXWUHKLSA-N 437.483 1.701 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1Cc1nncn1C 1316089623 IBJQICWQOKUGEU-IBGZPJMESA-N 436.520 1.874 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H]2CCOC2)CCN1C1CC1 1332159040 AZCOVCTUGTWIOO-APWZRJJASA-N 436.516 1.929 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCCCC(=O)C2=O)cc1 1358085034 VWADNYQNPUKCMI-FCDQGJHFSA-N 448.545 1.800 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1358921815 JXZBDVRJQHHTAZ-UHFFFAOYSA-N 435.326 1.744 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1358937240 NCCJXXLUWAUJIU-LJQANCHMSA-N 436.560 1.853 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCOC1=O 1358941355 GSHMPACIFJRKIA-UHFFFAOYSA-N 429.477 1.883 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 1358961878 GQSHIVRVZPSNSB-INIZCTEOSA-N 431.518 1.082 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCCC2)n1 1359028371 PTFFLSSGRZFBNI-SFHVURJKSA-N 441.536 1.017 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCC[C@H](C)C2)CC1 1359030837 HRSOAAPVUWALBP-URXFXBBRSA-N 444.624 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359045873 WOKVSSJCBGQJLO-INIZCTEOSA-N 442.486 1.069 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1cc(CO)nn1 1359065392 PPOUFYXNLHSGGD-FGZHOGPDSA-N 443.552 1.485 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(=O)NC 1359082732 RKUINPLGQCEJKM-UHFFFAOYSA-N 425.287 1.487 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C1CCC1 1359293123 HTAYLIKTKKHDBU-UHFFFAOYSA-N 431.566 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335427 LITGDTWGPWHDNB-PXNSSMCTSA-N 442.582 1.535 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1360193176 RQNOIBBEBGVKQE-QGZVFWFLSA-N 441.511 1.640 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCNS(=O)(=O)c3ccccc3)n[nH]2)c1C 1442637225 OKIIQHZBQIXBMQ-UHFFFAOYSA-N 428.518 1.784 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1cc[nH]n1 1464073251 YORJGUBYRWPXPW-ZDUSSCGKSA-N 427.461 1.919 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)n1 1467714541 BQUHKODOHKKSBV-XLNGHYISSA-N 436.434 1.850 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1470960556 YTYGYDLSYHEDKV-QZTJIDSGSA-N 436.553 1.668 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccc(OC)cc43)C2=O)c1 1473007583 PBZVVZRZZPBNTM-HSZRJFAPSA-N 432.436 1.718 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccco2)n1 1492746023 FNCJMKPWKOKWFM-FQEVSTJZSA-N 426.456 1.605 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)Nc2ccccc2)CCOC1 1502728106 GFHKBKYSXHCHNA-XMSQKQJNSA-N 440.504 1.688 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)c1 1504130183 DFPUTWFJQJUYTL-LJQANCHMSA-N 440.504 1.750 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1505083263 XGHDFEARJAAODZ-SXLOBPIMSA-N 443.552 1.940 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCOC2)CCO1 1505321369 PAAPMEWWRQJMOO-IRXDYDNUSA-N 441.492 1.097 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nccs2)CC1 1507588002 DIKOKDZOLQLGTB-INIZCTEOSA-N 434.591 1.767 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC[C@@H]1CCOC1 1507606506 OKCDHGWRSBQIGC-KRWDZBQOSA-N 432.546 1.861 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nnn(C)n1 1507647438 BUZGZILMMWXKBW-UHFFFAOYSA-N 425.294 1.661 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)CC1 1507724669 UZYGZQBHSPLXFT-QFIPXVFZSA-N 425.606 1.456 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1507751309 MHBKXXISWDNVFM-SFHVURJKSA-N 447.586 1.498 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507843574 OGCVEPLIUUVUEW-OAQYLSRUSA-N 430.509 1.561 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507844411 JNXRJPUFSVPQJJ-VQTJNVASSA-N 446.596 1.508 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1508090472 ILHFUGHSZYDSEJ-CVEARBPZSA-N 429.525 1.975 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccs2)C1 1508131057 KKZGZYJTTWHBHD-INIZCTEOSA-N 444.561 1.673 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC(C)C 1509684878 QDFGRCBUGCLCEV-UHFFFAOYSA-N 440.552 1.825 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517642500 DRJXMKHITTTZEH-IJYGLTAASA-N 428.493 1.146 30 10 IDEE COC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1518724514 ZCDSWEWCFHVBRT-RTBURBONSA-N 441.492 1.691 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1539043209 OFEHMEGOFYSCEI-YZGWKJHDSA-N 439.516 1.378 30 10 IDEE Cc1ccc(OCc2nc(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)cc1 1539118456 MYSAVQNTPDHKFW-MGPUTAFESA-N 431.539 1.970 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1539267414 ZJBCIZSLVJTMGA-KRWDZBQOSA-N 444.536 1.186 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](CO)O1 1539362419 AZIBWJONHHMVAB-JKSUJKDBSA-N 432.550 1.238 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1539526692 RSOHQEYSGHXRDZ-KRWDZBQOSA-N 430.578 1.358 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C 1539611555 AWNIWKLOOZEMMT-IPYPFGDCSA-N 428.331 1.578 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1539631107 IWXBFCIRZVOLIR-SZMVWBNQSA-N 439.582 1.581 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1540026860 KXKAMHUFPWPXPJ-INIZCTEOSA-N 439.524 1.408 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCOCC1 1540182419 RJUQQFJJSJOXQW-UHFFFAOYSA-N 430.509 1.103 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1541733839 WQWUVPAGBGVHKA-IIDMSEBBSA-N 427.452 1.472 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1541888499 CRDKFLLBPUUJTF-QEEYODRMSA-N 433.534 1.226 30 10 IDEE C=CCN(C(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1)[C@H]1CCS(=O)(=O)C1 1543487108 GRUFOVXDVOURQO-HNNXBMFYSA-N 441.554 1.398 30 10 IDEE CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1546680370 HOVFFTGWECPWED-ZZEZOPTASA-N 441.536 1.667 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)N(C)C)CCN2C1=O 1547604541 GKZJTJSLJWKURJ-YJBOKZPZSA-N 436.520 1.240 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1555266600 KDLYTJNWQWLFBO-WMLDXEAASA-N 436.513 1.271 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555348864 JWCKBPOGNGWCCF-QQMHEVNUSA-N 437.504 1.729 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCCC2)C1 1555986020 DIUJKIQJOJZHAH-OAQYLSRUSA-N 431.516 1.635 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](Cc3ccccc3)C(N)=O)C2)C1 1583479416 XVRYCNSXSAHQKG-SRXHXZOOSA-N 426.517 1.986 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 1584873251 DAVQVHXLOQWARP-HNNXBMFYSA-N 434.468 1.676 30 10 IDEE CN(CC(=O)N1CCOCC1)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1586286529 UCNOFWOJQJXQEH-HXUWFJFHSA-N 442.516 1.710 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1587904979 RPODXQZPDYPBHN-CWLKWCNXSA-N 438.532 1.073 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1588385614 IXRNRTXUDVWBBW-FQEVSTJZSA-N 438.557 1.933 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCC=C)CC1 1588805817 BTVOHAKMMINYBR-UHFFFAOYSA-N 431.500 1.658 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ncccc2F)CC1 1588876996 QOMKDOCCONFHTH-HKUYNNGSSA-N 444.511 1.370 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1589048000 PUMHYSMVNJXEMS-UHFFFAOYSA-N 441.605 1.774 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1589070084 QJYHCGQDMFRWKK-JYJNAYRXSA-N 439.607 1.070 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1589110017 NNWKDYKEKBLFKO-UHFFFAOYSA-N 432.575 1.305 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1594566718 JROZDIDOXMTLSO-SFHVURJKSA-N 431.585 1.515 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1595477780 ZNUKPPRTQOXSRT-SFHVURJKSA-N 425.537 1.584 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1595537714 WTPNCLVGMJFTDD-IEBWSBKVSA-N 437.548 1.242 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1595614886 ZNRCWLBRCXQPDI-UHFFFAOYSA-N 449.515 1.643 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCNC(=O)CC1 1595822742 JVPRXNLHEDVQDF-UHFFFAOYSA-N 431.562 1.381 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1596593568 WBRCZUSUQJCJRV-QGZVFWFLSA-N 438.546 1.158 30 10 IDEE COc1ccc(CC[C@@H]2CCCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)cc1OC 1611093740 DXELVQZKGWZQGY-KRWDZBQOSA-N 426.473 1.852 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCC[C@H]1C 1611676737 BZJOETRJXZAOBJ-IAGOWNOFSA-N 437.614 1.893 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)cs1 1612412680 VIWQNBSMCJXWGM-QGZVFWFLSA-N 429.550 1.669 30 10 IDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCOCCO)C[C@@H]1C)C2=O 1615245804 FOZIFTCRZSCRAH-YBTHPKLGSA-N 425.865 1.762 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1617698530 RFAIDIHFOVAWBS-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@H]1COCCO1 1619913132 VCWQFDXMEKUUHP-PXNSSMCTSA-N 443.504 1.963 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)C1 1620347604 YFPHUTJNUYRGJP-FXAWDEMLSA-N 438.573 1.888 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)cc1 1624944397 AUFYEAOSRKNUME-MLGOLLRUSA-N 438.531 1.722 30 10 IDEE CN(C)S(=O)(=O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1625545749 PNNGPXXAKNJEST-KRWDZBQOSA-N 436.534 1.400 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1)c1cc[nH]n1 1626999821 LWOXTIHRNDYVAX-QGZVFWFLSA-N 428.445 1.428 30 10 IDEE CC1(C(=O)NCCOCCS(N)(=O)=O)CCN(c2ccc(Cl)cc2C#N)CC1 1627059049 XIQBAOVAUULODW-UHFFFAOYSA-N 428.942 1.239 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1627600364 XBGAHRQWXSVAQR-LJQANCHMSA-N 431.533 1.956 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)C1=O 1630642410 MKMLMHULMVLASF-OAHLLOKOSA-N 427.457 1.825 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(S(=O)(=O)N3CCC(O)CC3)cc1)C2 1632703545 LENLBDJLJPMAIE-LJQANCHMSA-N 425.510 1.601 30 10 IDEE C=CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1632868289 JAZWNOWFWOVMKF-UHFFFAOYSA-N 427.592 1.521 30 10 IDEE C[C@H](CC(=O)N1CCC([C@]2(C)COC(=O)N2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1634965572 PFBPTHMNKLCSMA-XCLFUZPHSA-N 434.518 1.241 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1635454019 ZXYJGZRLHQHKQF-IRXDYDNUSA-N 432.525 1.728 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)n1 1635721717 PQXCHMDXFHIUIS-UHFFFAOYSA-N 436.559 1.386 30 10 IDEE Cc1c(Br)c2ccccc2n1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637505530 GYMQHLHWCMJTSM-UHFFFAOYSA-N 442.273 1.930 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)C2)nc1 1638906618 YSPSYPROGBRZCF-AWEZNQCLSA-N 435.456 1.613 30 10 IDEE CN(CCc1ccccc1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1640006488 HANIWAMUXGFSAZ-FQEVSTJZSA-N 426.542 1.612 30 10 IDEE Cn1ccnc1[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)CO 1646468254 ADRHILUENKOJKO-LPHOPBHVSA-N 430.578 1.540 30 10 IDEE COCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1649686524 XGPRQQBPXIYZPP-LVWUPQHWSA-N 446.552 1.806 30 10 IDEE Cn1nnnc1-c1ccccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1653233156 GUEYIBMNSCCRRQ-UHFFFAOYSA-N 425.474 1.335 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 1654703692 DNDUATAEFGKQFK-MRXNPFEDSA-N 441.937 1.981 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)CC1 1662819522 IEHNOMDPPMEZSX-UHFFFAOYSA-N 439.563 1.197 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1684759414 BZXUJQXYELPDKK-TWOQFEAHSA-N 440.566 1.603 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCC3(c4ccc(Br)cc4)CC3)C2)c(=O)nc1O 1687514825 VGMPTHWXXSNJAM-UHFFFAOYSA-N 444.289 1.881 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(C)cn1 1689835651 QIAYBAIRAULKMF-KRWDZBQOSA-N 441.561 1.858 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1689924818 UXDIRXZJJXSAKK-OAQYLSRUSA-N 433.516 1.886 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1689928428 OFFHVSWGPNQVBD-FQEVSTJZSA-N 449.559 1.081 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2CCN(CCN(C)C)CC2)CC1 1690120045 DJAMBFKEIIZHIE-UHFFFAOYSA-N 436.608 1.369 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1690175276 TZEPSSLPABGANR-IAGOWNOFSA-N 441.623 1.602 30 10 IDEE C=C(C)COCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1690319888 CBRPFNIDJJOESZ-NRFANRHFSA-N 435.525 1.602 30 10 IDEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690464593 GKTOQMJWRHMZLY-UHFFFAOYSA-N 444.584 1.690 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1690642407 NXVLUWFODRSRBG-IBGZPJMESA-N 438.532 1.705 30 10 IDEE C=CCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690644383 IGHSJUYBRNZGFI-OAGGEKHMSA-N 439.582 1.789 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690672925 IIEBVXAXNFVOAP-UHFFFAOYSA-N 437.548 1.405 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1690720600 NKAGKBQKGBDNLS-UHFFFAOYSA-N 449.552 1.990 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccn2)CC1 1690731612 NWVZWWWAIPCKLG-UHFFFAOYSA-N 428.566 1.550 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1697407619 IMOQKAUAELYHBO-PMACEKPBSA-N 427.505 1.606 30 10 IDEE COC[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697745611 BTNJQAUXSSAXLP-DOTOQJQBSA-N 428.541 1.305 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697856570 JWIJJDPFGXJMCB-NQDNANIMSA-N 444.536 1.909 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCC(O)CC2)CCO1 1698493393 LMGFORZZHOEOHK-QGZVFWFLSA-N 431.928 1.569 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC2(C1)OCCO2 1705544862 GODZIZZGKFTGAR-MRXNPFEDSA-N 430.530 1.961 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1705556736 FQCVKFCWCARWOL-LJQANCHMSA-N 426.565 1.961 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2nc3cc(OC)ccc3n2C)CC1 1705649641 DBOXIBVCRPTYOK-UHFFFAOYSA-N 435.532 1.750 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705680800 HSJNHXADERHTSD-AVGNSLFASA-N 436.376 1.801 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1705900543 HPPKZJBMHOIAGQ-OAHLLOKOSA-N 444.540 1.426 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705901571 PLGIEVDLLMXQPU-SJORKVTESA-N 428.493 1.310 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)CC(F)(F)F)nnc1[C@]1(OC(C)C)CCOC1 1705938684 HFCOBJHSPWBEGI-INIZCTEOSA-N 440.488 1.918 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCn2ccnc2C1 1706867862 SAFLGYKLEVKCJQ-CVEARBPZSA-N 446.581 1.477 30 10 IDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711087785 BGNXKLXAAAMDMB-DYTRJAOYSA-N 435.488 1.417 30 10 IDEE N#CCC1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712885846 ZYZBJQSCLPWCAW-VZCXRCSSSA-N 432.488 1.997 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)C 1722280565 KPGRWRKBCLWLDJ-MRXNPFEDSA-N 446.577 1.568 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1CC 1722285695 YQBXAENDAMGWAK-CQSZACIVSA-N 426.912 1.979 30 10 IDEE C#CCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1722339590 WNAQWQIWQJXVRP-YADHBBJMSA-N 444.536 1.158 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N1CCOCC1 1722341627 KUKKZAHNVKWUIM-KRWDZBQOSA-N 428.562 1.719 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCn1ccnc1C 1722343152 IHKJRSBRPAEZCJ-UHFFFAOYSA-N 426.550 1.821 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1722373216 KRRYZZHCUZBKTN-CYBMUJFWSA-N 438.460 1.006 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722398723 BILATUWVVRSUAX-LJQANCHMSA-N 446.477 1.990 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1CF 1722419646 BGNQDAFSSAWNKI-FUHWJXTLSA-N 435.525 1.812 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1722428904 LMRWVTXJYKSYLJ-KDDVOAFDSA-N 428.493 1.132 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnc(C)s2)CC1 1722441896 WUMYSJYGPYWBHV-UHFFFAOYSA-N 441.561 1.293 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 1722458555 MXKLDSNZTKHQIA-INIZCTEOSA-N 426.550 1.021 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1 1722466667 CCFZILZHPRSXFG-OSCZSYKUSA-N 427.596 1.182 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722495099 UXYYGDGOTGEYPE-QRVBRYPASA-N 430.553 1.600 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722585634 DEEVRYIZHBBWRC-KRWDZBQOSA-N 438.532 1.703 30 10 IDEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1722629697 MYASSSNUOMGTJQ-HNNXBMFYSA-N 432.475 1.954 30 10 IDEE CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1729065887 WZBPOIYCEWPBRY-UHFFFAOYSA-N 427.509 1.072 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1740626634 XTTIBRAZHAKOLA-KRWDZBQOSA-N 430.559 1.523 30 10 IDEE CC(C)Cc1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741440032 HBUOCOZYTPBEOY-QZQOTICOSA-N 438.536 1.906 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1747666232 QJILSUIRARSDHO-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1748392264 DQDOTAQAAYZFPI-QGZVFWFLSA-N 434.504 1.880 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1748630013 APMFIRFVDRHBTL-YWZLYKJASA-N 427.440 1.384 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 1748745294 NPFIYKNIGRWPIB-MRXNPFEDSA-N 434.500 1.995 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(C)CN(C)C1=O 1748951024 TYPORHCQYBMMLF-QHCPKHFHSA-N 433.516 1.900 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nncn2C)CC1 1749019287 RNZKEQRSHKUMBK-UHFFFAOYSA-N 448.531 1.308 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1749125826 YKSFDKCWZZHTMZ-OXQOHEQNSA-N 426.521 1.792 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749402792 SLSWPMWANZYDGL-OAHLLOKOSA-N 445.611 1.055 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](OC)C1 1749726958 LDWJWQHFCYRXFX-QGZVFWFLSA-N 448.545 1.932 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1750385910 DEOCERVXIAVIFA-HIFRSBDPSA-N 436.925 1.547 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCS1 1750675837 GMFPZFJJVKGLEH-KRWDZBQOSA-N 434.591 1.944 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1760118053 XJQDEMWMDQEPQJ-MJGOQNOKSA-N 443.573 1.523 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCN1CCCO 1760179813 ZRFRGFMRCAAGEZ-OTWHNJEPSA-N 446.596 1.965 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1760205383 AEOXJISCGABNDS-INIZCTEOSA-N 442.497 1.061 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760336312 XFKWOHLZAAAOFD-QUCCMNQESA-N 432.569 1.021 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1760336842 KHKHRFRAABWSKF-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760348570 CPJNMTXGGUDSAW-UXHICEINSA-N 446.596 1.654 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760523697 GDXWLHBUXWHZLJ-FHWLQOOXSA-N 432.569 1.369 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)C1 1760537527 PAQCLBJFULLKGH-QGZVFWFLSA-N 444.927 1.949 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1761284036 OVGLOAZTDKOCCX-AYOQOUSVSA-N 441.529 1.195 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1763513194 ORJFYIJJCJOSKY-LHUAGQQPSA-N 439.520 1.814 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1765276332 LPEOITRGRFPYIF-WBLQZWKMSA-N 430.509 1.312 30 10 IDEE CCN(CC)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1766550674 CFIOFXZZYAYAFQ-INIZCTEOSA-N 440.508 1.303 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1766715948 ZROWUNYWFQLJIW-OAQYLSRUSA-N 444.561 1.763 30 10 IDEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccc2C#N)CC1 1769338187 BZNORJAFIKDJFZ-UHFFFAOYSA-N 447.547 1.474 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1cc(Cl)cn1 1771218468 CTHQXKWFBJBAIE-CRAIPNDOSA-N 448.959 1.729 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1771491490 BBXUIIZDFIIJNL-SZVBFZGTSA-N 445.545 1.777 30 10 IDEE N#Cc1ccnc(OCC2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)c1 1849810664 MPVNFCPZZPGHGK-UHFFFAOYSA-N 432.546 1.775 30 10 IDEE O=C(NCC#CCN1CCCCCC1)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1850100620 YPVWQOQYHSEGQX-INIZCTEOSA-N 438.516 1.091 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(CCOCC(=O)c3ccc(C#N)cc3)CC2)cc1 1851361305 JRVRMHMLLZJOKD-UHFFFAOYSA-N 443.525 1.773 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1C[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1851985370 FYVIUIBWUYXDOC-UONOGXRCSA-N 425.555 1.035 30 10 IDEE N#Cc1ccccc1OCC(=O)OC[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852501022 WGJHUCVGNKPOSB-HXUWFJFHSA-N 428.510 1.822 30 10 IDEE Cn1c(NC(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)cc(=O)n(C)c1=O 1853079410 ATCGBQYVPCOAPA-IBGZPJMESA-N 443.463 1.682 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)c1 1854974625 FNZDINIPFDSNNH-YLJYHZDGSA-N 430.936 1.944 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1=O 1856805997 WAXZHIGQRZNNCM-OCCSQVGLSA-N 448.419 1.588 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 1857122655 UQOPYHSRXPEXBS-AWEZNQCLSA-N 425.466 1.555 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(C[C@@H](C)O)c(C(=O)O)cc3=O)cc21 1857887343 USRBUUQLCDNHEM-CYBMUJFWSA-N 442.424 1.100 30 10 IDEE C[C@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)cc1C(=O)O 1857887399 WEDIXRDXTLITJY-NSHDSACASA-N 431.470 1.757 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695424 FCGVRCJBYQTQKQ-SFHVURJKSA-N 429.425 1.989 30 10 IDEE N#Cc1ccc(Cn2cnc3c(nnn3Cc3cc([N+](=O)[O-])cc4c3OCOC4)c2=O)cc1 1870101791 JGALGGGXVQOWJC-UHFFFAOYSA-N 445.395 1.731 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2022955967 YNHYYOHYGYCOFY-PCGVCOGMSA-N 426.319 1.069 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085656966 OLLLIEHHSCBXKP-OAHLLOKOSA-N 433.314 1.955 30 10 IDEE Cc1cc(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc1C#CCN 2137582456 JWYHKDJPQONJKE-UHFFFAOYSA-N 431.539 1.425 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644807 LHTGDZJWKBWLJZ-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255825524 AXJNYUQOZSZMFN-UHFFFAOYSA-N 432.330 1.792 30 10 IDEE Cc1nn(C)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828916 ZANJCHGDNUUVPL-UHFFFAOYSA-N 436.362 1.967 30 10 IDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267113639 WYCWDRUACWEGBM-UONOGXRCSA-N 449.361 1.584 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267186390 JACYKHAIJMJPDY-HNNXBMFYSA-N 449.357 1.860 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267550066 UOTSSJNQMLXBCI-HNNXBMFYSA-N 448.329 1.142 30 10 IDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2272076358 JVTDWYUDOAWOSN-APWZRJJASA-N 426.491 1.099 30 10 IDEE CN1CCN(CCOc2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CC1 2296334069 KZZBUASQWDOZMK-UHFFFAOYSA-N 426.164 1.770 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2315607504 WFHYYQOUVHZIHS-YEJXKQKISA-N 432.330 1.459 30 10 IDEE N#CCCNC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 13047339 QVQLPSOWWHUPGQ-CQSZACIVSA-N 444.307 1.175 30 10 IDEE C=CCCOc1ccc(-c2nnc(CCC(=O)N3CCN(C)CC3)c(O)n2)cc1OC 34767478 MTIIXFBGQYZXGQ-UHFFFAOYSA-N 427.505 1.914 30 10 IDEE CC[C@]1(C)NC(=O)N(N=Cc2ccc(OCC(=O)N3C[C@H](C)O[C@H](C)C3)c(OC)c2)C1=O 254594464 VBNUXALUIVGHBM-KIMHZCHSSA-N 446.504 1.764 30 10 IDEE COc1cccc(C[C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 442850044 HZPNVNHVVCQCGP-IBGZPJMESA-N 429.498 1.003 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(C[C@@H]2CCCO2)c1=O 446114699 VEQNYALUKDXGJW-KRWDZBQOSA-N 438.484 1.347 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)CC1 463347812 DFXITPBWAIZWJD-UHFFFAOYSA-N 425.537 1.463 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1ccc(Br)cc1 474700120 ZVKLCTUUTHCRAE-RDTXWAMCSA-N 449.305 1.746 30 10 IDEE CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nnc2ccccn12 481504605 FEIXCJRFYMCANB-KBXCAEBGSA-N 426.502 1.781 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1csc(N2CCCC2)n1 482197894 ILWPPOQDBUTJTA-CQSZACIVSA-N 433.559 1.641 30 10 IDEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489431971 FPENBAISSWLCIC-QGZVFWFLSA-N 428.514 1.871 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3noc(C4CC4)n3)nnc12 495581595 YMZIHTHALRAENF-UHFFFAOYSA-N 437.485 1.899 30 10 IDEE N#CCC(=O)N1CCN(C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)CC1 503611626 PCZIYPCFBBNEMI-UHFFFAOYSA-N 427.511 1.771 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccccc1C 514475034 GZLQQFPQSMOTMB-UHFFFAOYSA-N 439.562 1.843 30 10 IDEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1C 514920567 SUXLZZOAZFYDBD-LJQANCHMSA-N 437.565 1.796 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCC[C@H](C(N)=O)C3)nnc12 532266565 DAAJXIZGXRECJH-KBPBESRZSA-N 440.529 1.483 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCCO2)c1=O 533883552 CRYUCKMPELZQKG-KRWDZBQOSA-N 426.542 1.568 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCSC)c2=O)c1 539598602 NLPWTZIOJPDXPF-UHFFFAOYSA-N 444.582 1.110 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N(CC(=O)N3CCCC3)C[C@@H]3CCCO3)CC2)o1 564474446 RTKMBAWZSYWPGE-SFHVURJKSA-N 429.521 1.701 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 567126694 RIETZZIBNXQRMY-WBAXXEDZSA-N 427.530 1.896 30 10 IDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CC1 611091130 KANGFSWZHKWHGZ-CYBMUJFWSA-N 430.983 1.858 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@@H]1CCCO1 730138815 NGWZEHXTFALCRX-YJBOKZPZSA-N 434.562 1.874 30 10 IDEE C#CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 730772949 ZMEMVPAEJZWLQR-CVEARBPZSA-N 437.905 1.194 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)N3CCN(C(=O)C4CC4)CC3)cc2)nc1 732398948 RILBQXVXWUCFID-UHFFFAOYSA-N 434.452 1.983 30 10 IDEE CC(C)(C)OC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 744008040 ZQNVWXFCIDMLQX-KRWDZBQOSA-N 437.518 1.920 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)[C@@H](C#N)c1nc2ccccc2s1 749549184 CBDUJKCCLLFWRH-LBTDBDNISA-N 427.482 1.898 30 10 IDEE COc1ccc(S(=O)(=O)N2C/C(=C/c3cn[nH]c3)C(=O)/C(=C/c3cn[nH]c3)C2)cc1 751537001 YWDHVQCSYIEBDJ-JTSIYALXSA-N 425.470 1.882 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755671942 CIKWODARPNMFRV-UHFFFAOYSA-N 442.585 1.677 30 10 IDEE CC(C)C1CCC2(CC1)NC(=O)N(CN1CCN(c3nccnc3C#N)C[C@H]1C)C2=O 756877023 QCZMRSGMWMDKRX-CSZIGFGKSA-N 425.537 1.953 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 758701101 DTRLHNSHLUAEIV-OQLSDQBISA-N 427.505 1.103 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(c3nnc4n3CCC4)CC2)C1 758765971 DDFOOUHHRUWURV-CVEARBPZSA-N 429.525 1.872 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 760318080 QGNPUMJNHQNRDM-HOCLYGCPSA-N 428.518 1.430 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3nnnn3C(C)(C)C)CC2)cc1 766058076 BWLQBHGHYGYQLS-UHFFFAOYSA-N 449.537 1.744 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cccc(N3CCOCC3)n2)ccc1F 774024117 NPZPRNQSHDBVHV-UHFFFAOYSA-N 434.493 1.452 30 10 IDEE COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCCNc1ncccc1C#N 781455582 GOTQDLJDAHQXDS-UHFFFAOYSA-N 446.261 1.669 30 10 IDEE Cc1cc(C(F)(F)F)ccc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 785496528 WUZLTHUHZLAOJA-UHFFFAOYSA-N 448.470 1.596 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCS(=O)(=O)C1 787371278 VPGFXIDITPAYMZ-WBVHZDCISA-N 440.363 1.860 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(-c2nc3ccccc3s2)n1 792983005 CNZJVFAJZIIVIJ-OAHLLOKOSA-N 435.513 1.928 30 10 IDEE NS(=O)(=O)c1ccc(C=NNS(=O)(=O)c2ccc(F)cc2)cc1Br 807976413 LCIGQCUBESYVHB-UHFFFAOYSA-N 436.284 1.548 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 809889603 HHULWQNTCAWKEH-MRXNPFEDSA-N 434.541 1.864 30 10 IDEE C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 811365027 OTONTWMEWUCBLO-LLHSCAJVSA-N 432.476 1.147 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 1084190387 XEKLHJTURZTAFL-UHFFFAOYSA-N 446.518 1.720 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)C1=O 1155857866 IOXJECJBGZJSJO-HXUWFJFHSA-N 444.557 1.660 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](CC#N)C(F)(F)F 1156053948 XOWICKGOSGEGCS-QWHCGFSZSA-N 439.843 1.834 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Nc3ccn(CCN4CCNC4=O)n3)CC2)c(F)c1 1209473969 DJNVODRHBHRYMO-UHFFFAOYSA-N 426.456 1.273 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1286392103 HVJFCZSOTORMIR-KRWDZBQOSA-N 431.562 1.945 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(C)(C)O 1286402054 XENFXTUSJYNYFT-UHFFFAOYSA-N 428.562 1.780 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N(C)C 1286405069 XXZXMYIINXISAY-UHFFFAOYSA-N 437.472 1.511 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286440206 PNTZDNISCBTALF-INIZCTEOSA-N 447.561 1.703 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2snnc2C)CC1 1286473681 WARFDQNBFFZUOV-HXUWFJFHSA-N 431.566 1.282 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)C(C)C)CC1 1286495324 YOTYVKWCEMDQMA-IBGZPJMESA-N 444.580 1.648 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1286547377 OLMNRJOKVVFIOX-MSOLQXFVSA-N 433.553 1.783 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CC)CC1 1286663014 DOXPCGFAOQHGKC-APWZRJJASA-N 427.571 1.174 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1286727278 OKXZKDTVWFAHOF-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(S(C)(=O)=O)cc1 1286729200 NSHCJPZJGLVUDY-UHFFFAOYSA-N 433.534 1.505 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286784111 WUZXREHFSBQMCE-INIZCTEOSA-N 440.504 1.281 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC)C1 1286816497 FTVBWUANCWBOSA-GJZGRUSLSA-N 433.600 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCOC1 1286824931 KJRXXUSNNBCUBU-GXTWGEPZSA-N 428.465 1.903 30 10 IDEE Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289202075 WEDYOCJCUZBQIN-LIRRHRJNSA-N 439.559 1.082 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)n1 1292627094 DULVMUBBLJWWJG-GFCCVEGCSA-N 435.579 1.149 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1297696643 PWWVNQHXQLTCMK-IBGZPJMESA-N 428.562 1.926 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(F)(F)F)CC2)C1=O 1298798614 LLEHUUZSINPZIG-UHFFFAOYSA-N 433.394 1.900 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1299226500 NZWBEIAPYPPZMC-OAQYLSRUSA-N 428.493 1.107 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1300465023 JKUZAKLBZGZLLM-DHMKHTPVSA-N 437.566 1.567 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CC(OC(C)(C)C)C2)CC1 1300698603 VYDQDKUVKDGROY-ACBHZAAOSA-N 428.581 1.968 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2CC(OCC)C2)CC1 1300719707 MUZYAUOWIKIARD-UHFFFAOYSA-N 437.548 1.906 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300756854 VCDQSEFXNOAGLP-PXNSSMCTSA-N 430.622 1.901 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1300863189 KINHFLZNGVEWFC-LNLFQRSKSA-N 430.553 1.587 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1300895935 XJCCEGJMSHPPGX-WNRNVDISSA-N 440.548 1.626 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1301384361 UTBUJTFXMKMGOT-QMHKHESXSA-N 436.516 1.910 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1301497667 AGWCROJHYXSVQS-QGZVFWFLSA-N 445.568 1.006 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(CC)Cc1cnn(C)c1 1301501180 SYVLFEHOCIRPEK-LJQANCHMSA-N 437.504 1.853 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301512087 LJNGYMWYZHIHHZ-YGCDDZCOSA-N 437.504 1.729 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2CC)C1 1301539038 NGBXKNOLFUWYGD-BRWVUGGUSA-N 426.587 1.154 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(C)(=O)=O)C1 1301546438 RQJLSBXEQHCITG-OAHLLOKOSA-N 435.506 1.004 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301568142 PCVQWGDPOGYZQL-CVEARBPZSA-N 448.549 1.387 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)S(C)(=O)=O 1301991038 UJNWPVHIRMDERA-LVFSCSRESA-N 447.561 1.614 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1302478837 GTYLPKOLSLFNMW-UHFFFAOYSA-N 443.577 1.384 30 10 IDEE CN(CCCC(=O)N1CCC(NC(=O)N2CCO[C@@H](C#N)C2)CC1)C(=O)OC(C)(C)C 1313039823 HQHYQMGXGZSFAT-KRWDZBQOSA-N 437.541 1.558 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1314394002 ULMFIMUBJHZTAN-KRWDZBQOSA-N 438.536 1.323 30 10 IDEE CSC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1316435841 FYBISCCKYMGIGY-FXAWDEMLSA-N 447.586 1.698 30 10 IDEE COc1cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(C(=O)N2CCCC2)cc1OC 1322222286 FMQOFMITEJCQTJ-MRCUWXFGSA-N 442.472 1.795 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1358997110 FJHLJXXGTDJMRN-FQEVSTJZSA-N 448.527 1.925 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1359012922 DDUANNZSGPKSBQ-NRFANRHFSA-N 426.546 1.740 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1359056641 IXQJAMBAXXAUBT-MSOLQXFVSA-N 438.619 1.942 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1359295699 LIDMKDVOZUWPHH-UHFFFAOYSA-N 440.939 1.961 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(C)=O)CC1 1359328433 DDQLDGCJHZRBNL-UHFFFAOYSA-N 433.534 1.223 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1Cc1nncn1C 1360222189 LSJUFPKQEWSCTL-LJQANCHMSA-N 447.547 1.924 30 10 IDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)COc2cccc(Br)c2C#N)C1 1448760423 SUMHLOSRDKDSQB-UONOGXRCSA-N 427.295 1.572 30 10 IDEE CCOc1ccc([C@]2(C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2(Cl)Cl)cc1 1453843405 SMFKHRWIWZCCTA-SFHVURJKSA-N 437.283 1.851 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCC[C@H](C#N)C3)CC2=O)cc1 1455566116 CGLGFQKYCAKCGM-IAGOWNOFSA-N 432.546 1.832 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1=O 1459189773 VIOVFHPZWHQHCU-UHFFFAOYSA-N 430.770 1.123 30 10 IDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1(C#N)CCOCC1 1466274769 TWFLBXIXWPXAED-UHFFFAOYSA-N 436.534 1.788 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1472595201 RILCFRQVFGPTBX-KRWDZBQOSA-N 436.472 1.054 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)CCO1 1475444037 DSOSDEUEXZPHNH-OAHLLOKOSA-N 447.439 1.324 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCN(C(C)C)CC2)n1 1492734212 FWHSIURBHBTOIU-QGZVFWFLSA-N 428.585 1.971 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCCO 1503646630 PGNAXVBWGNGOCV-QGZVFWFLSA-N 441.305 1.887 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)C2CC2)c1 1507551069 UPTCMMFMRPLVDJ-MBSDFSHPSA-N 436.516 1.446 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1507720558 UVOZZVZHBLQOFW-JTAQYXEDSA-N 447.580 1.486 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCOCC3)CC2)CC1 1507737670 BUAYPYICSCQTRF-UHFFFAOYSA-N 442.608 1.697 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1507739323 PBZLYSGTOVDFHZ-MOPGFXCFSA-N 440.548 1.644 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507863350 CYULWZKEJACZLK-MRXNPFEDSA-N 435.960 1.116 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1507962004 KEQFTEKUWYKBGE-SFHVURJKSA-N 430.553 1.803 30 10 IDEE C=CCCOCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507965313 DIYDCUXDQPOCHH-KGVIQGDOSA-N 449.552 1.846 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1507971158 JJCMQEQTVXRFHF-HNNXBMFYSA-N 437.953 1.918 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1507979922 CYCUTJQBKCBQAF-QGZVFWFLSA-N 437.570 1.219 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1508111793 JALXUWFWPGNAHZ-IRXDYDNUSA-N 432.550 1.403 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508160082 DAIXAVWVCMZPFV-ARFHVFGLSA-N 430.596 1.340 30 10 IDEE CC(C)Cn1[nH]c(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1=O 1516306209 BYFSOFXUQHEGPT-PTGBLXJZSA-N 433.534 1.826 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1517777169 FBUYGNWKMORWKT-HNNXBMFYSA-N 448.549 1.282 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)C2)nc1 1523932723 GHNAGOUEOUGCSE-WOJBJXKFSA-N 436.468 1.971 30 10 IDEE N#Cc1ccc(N2CC[C@@H](C(=O)NCC(=O)NCC(=O)NCc3ccccc3)C2)c(F)c1 1534508544 OXVVIXJAAFQPPV-GOSISDBHSA-N 437.475 1.072 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c([N+](=O)[O-])c1 1537882521 SLLYFXJRXUXVFW-INIZCTEOSA-N 428.470 1.848 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1539014169 LGBPJFVODOXIPQ-IRXDYDNUSA-N 429.546 1.894 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1539246092 OFCYFOZPJPJMLC-GOSISDBHSA-N 441.557 1.142 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1539370342 VRDSGUJDNVFNJG-IAGOWNOFSA-N 447.536 1.123 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCCC2)CC1 1539431241 RYISIMOYBQTVLS-HSZRJFAPSA-N 430.597 1.560 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCn2cnnn2)CC1 1539475997 PVCSFWKUDPPBPG-UHFFFAOYSA-N 437.483 1.127 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N(C)C)CC1 1539484347 MDFKCBRGPFTAPQ-HNNXBMFYSA-N 429.594 1.550 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1540863592 ZBVVXICXWCNFTR-UHFFFAOYSA-N 432.475 1.944 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(COC)CC1 1540869632 SEZYHFCOTMNNPD-UHFFFAOYSA-N 437.504 1.759 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540877021 IMDCWDDKPGLROQ-HZPDHXFCSA-N 434.541 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540902655 NUFKKRSOXDJMIO-OWCLPIDISA-N 439.538 1.055 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@]1(OCC)CCOC1 1540908723 MLTHGQYJFHBYPD-PMACEKPBSA-N 442.582 1.536 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1540922717 WODOATGFZHBTPQ-OXJNMPFZSA-N 436.582 1.405 30 10 IDEE COC[C@H](F)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1555274713 HVLAEDMEVJOPTP-OXQOHEQNSA-N 432.479 1.879 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1O 1555940963 ULRMJBMACKVGQS-BEFAXECRSA-N 429.546 1.849 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOCC(F)F)CCO1 1555995486 QGPSPPMYUIDJAT-CYBMUJFWSA-N 440.476 1.670 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)C1 1559973189 GQJAEBBTZZPECS-AZUAARDMSA-N 443.544 1.953 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(-c3n[nH]c(C)n3)cc(C(F)(F)F)c2)C1=O 1584478996 QQKQUFFYMKAZKI-UHFFFAOYSA-N 436.350 1.714 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588238271 OSWKSLTUXRQNMZ-HXUWFJFHSA-N 437.519 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C/C=C/c2ccccc2)CC1 1588923750 LGDXAQZGBYLYDK-AQDCRGGLSA-N 432.528 1.908 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1589381550 FNYUCZFHAWCPLY-MRXNPFEDSA-N 447.341 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)C1 1595320092 OLGVNTFBIROUGT-ULMVMLMRSA-N 425.551 1.857 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595517181 RLAXQHCDMNMDSH-KRWDZBQOSA-N 446.577 1.355 30 10 IDEE CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1598152255 GMVNXPGJYDYBHR-HNNXBMFYSA-N 442.495 1.369 30 10 IDEE CCCN1CCCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1=O 1614870845 DXULPNGPXOAFJS-INIZCTEOSA-N 430.509 1.964 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CCc1nnc2n1CCCCC2 1619912628 HYLFBTBPGLLQIB-KRWDZBQOSA-N 428.541 1.709 30 10 IDEE COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1625900875 XAJYTUWXBKDSJT-UHFFFAOYSA-N 433.534 1.436 30 10 IDEE C=CCN(CC(=O)OCC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1630850978 GCEFCDYMMQVXOY-PMPSAXMXSA-N 444.550 1.234 30 10 IDEE C[C@H](CC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 1633651572 ZBCYQCUTZSFRPK-DYVFJYSZSA-N 447.538 1.290 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@H]2CCN(C3CCC3)C2=O)nn(-c2ccc(F)cc2)c1N 1637410754 SMOPHRVGEJFCGL-IBGZPJMESA-N 439.495 1.850 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 1647774672 KURZMZQJZAAUKD-UHFFFAOYSA-N 441.463 1.487 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)c(=O)c1C#N 1648749813 DZTVADZRRDXBPB-SNVBAGLBSA-N 449.227 1.970 30 10 IDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1666758674 FQRHISRVMMHFBZ-RDJZCZTQSA-N 437.518 1.156 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689989872 JFIUEZSTFVZXHK-QGZVFWFLSA-N 435.594 1.552 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 1690129270 SXVXKZSFUDBFJP-UHFFFAOYSA-N 426.540 1.926 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1690173000 SVRHUAHPOVPGHA-GOSISDBHSA-N 435.594 1.865 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCN(C)C1 1690571810 JRNUJYITFSLTPN-QHCPKHFHSA-N 442.539 1.799 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(F)cc(F)cc2C1 1690675367 YIGDZYGVPWSYLZ-UHFFFAOYSA-N 430.459 1.544 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1691001253 FXGLQURIXOZGAO-YOEHRIQHSA-N 448.531 1.703 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN(C)C1CCCCC1 1692759357 FYEUCXRNGZWKES-CVEARBPZSA-N 425.603 1.891 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCN2CCCS2(=O)=O)C1 1692845000 BDTPBINRONRSBD-FQEVSTJZSA-N 429.550 1.429 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705541305 FLHBCFFPRXJNSI-HOTGVXAUSA-N 435.525 1.908 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1705580118 DEIPOYZELFDTER-SFHVURJKSA-N 446.511 1.724 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2COCCO2)CC1 1705632350 NDTAHNVAHIVHAG-HXUWFJFHSA-N 438.532 1.318 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705897767 TVMRSXCCZDOSDN-SFHVURJKSA-N 445.612 1.665 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1705909005 ZUHWRMYESGSKKV-MRXNPFEDSA-N 440.483 1.731 30 10 IDEE CC[C@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708562339 NUSQIDODMJOCNE-RJCBAWPRSA-N 444.536 1.704 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1709815201 JHVNSBHGZNKXFZ-RHSMWYFYSA-N 425.493 1.485 30 10 IDEE CCOCc1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710698669 MGOMOUGQUHCKMW-HNENSFHCSA-N 430.509 1.348 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1711045844 NSJBCVIHMHLTHO-QGZVFWFLSA-N 433.534 1.515 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1cnnn1C 1712443189 UXUMVJHYNQILQH-LJQANCHMSA-N 436.520 1.874 30 10 IDEE COCCOC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712591573 PATBPVZLUWULIT-ZZEZOPTASA-N 432.525 1.560 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1722364103 XIMMYCKONZSXLX-QGZVFWFLSA-N 446.529 1.380 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722369520 AKLLMEGQLLGAQX-FJIDUMEYSA-N 436.578 1.675 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@H](C)C1 1722407894 VLPIJHRPKXPJSQ-LJQANCHMSA-N 449.563 1.881 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722453513 VVMOATNGDNXVOH-SFHVURJKSA-N 445.593 1.874 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722458273 YOJOQRSYRCFEHS-QGZVFWFLSA-N 427.578 1.791 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1722629803 OHKHXJNGMJHTIO-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1722862717 DUCXFJLPCJBWBV-HUUCEWRRSA-N 433.538 1.513 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1728196102 TWZDCTMOGRIQRU-SFHVURJKSA-N 438.536 1.292 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1740548919 CFRGRDDVXJOKDH-QAPCUYQASA-N 430.530 1.732 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740621889 PUKVNBIQOYQFOY-GOSISDBHSA-N 425.518 1.232 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740624151 GHRYXYGZLPHXJP-ROUUACIJSA-N 434.587 1.982 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1740629321 JKSYQIRITSNXOO-UHFFFAOYSA-N 428.456 1.400 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1740653165 CCHPEDZLLGEMGC-QGZVFWFLSA-N 436.907 1.631 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740737186 CFFOGBAGXBZQSG-CQSZACIVSA-N 437.342 1.624 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1740951067 PJEIQCDSYHBBNP-FUHWJXTLSA-N 429.569 1.172 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1740958382 OEZBEVMYIJFOMO-QGZVFWFLSA-N 447.561 1.514 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740964767 URUQACXUNGAQQJ-UHFFFAOYSA-N 425.555 1.055 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc([C@H](C)O)cc2)C1 1740972717 LWGQSCMNNYNYAS-JTDSTZFVSA-N 449.577 1.771 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)C1 1740982579 VDXDZNHUMDRRHH-RRFJBIMHSA-N 432.493 1.386 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCOC1 1740994639 RAKRXBRPDHJIHU-AWEZNQCLSA-N 439.563 1.096 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740994988 ZJHFSMSVNWQHCF-APWZRJJASA-N 445.545 1.537 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC(F)(F)F 1741371224 WXDWPAHAOXOFBN-UHFFFAOYSA-N 436.442 1.673 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)COCCO1 1742015268 BEMAHLTYAOIDIL-JOCHJYFZSA-N 425.537 1.974 30 10 IDEE Cc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1742439815 CUWDEBNFYXDVMH-QAPCUYQASA-N 432.550 1.564 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1OC 1748630042 BSCJJKTYDLWNOJ-IBGZPJMESA-N 449.508 1.981 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1748724692 HLAAELMEWWGTGU-UHFFFAOYSA-N 429.569 1.834 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748817553 MGNZGCHWERVPHP-FUHWJXTLSA-N 448.520 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1748863958 LWKBBQYDNLAIHV-MSOLQXFVSA-N 434.610 1.472 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1748905473 FFXXTVWDNCXNST-MRXNPFEDSA-N 432.550 1.086 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1748922631 GGNDOMPLSGKHNU-KRWDZBQOSA-N 435.532 1.372 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1749034341 ZYLPMQYBBDGUFF-INIZCTEOSA-N 429.525 1.456 30 10 IDEE C#CCSCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749048231 LXUSQMDCRPXMLY-JOCHJYFZSA-N 447.605 1.792 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1749651390 UUTWELVIZHNDDI-MRXNPFEDSA-N 426.521 1.762 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749715959 XWRLAAQGUVDEJE-OALUTQOASA-N 446.577 1.327 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749756245 VJLZIHJPJPIBBE-GJZGRUSLSA-N 448.636 1.113 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1750056951 MWAACVWTFQZBMU-PKOBYXMFSA-N 445.545 1.493 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2Cc2nncn2C)n1 1760251569 CKYNLQFQIINLQK-UHFFFAOYSA-N 449.494 1.744 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)O)CC1 1760260744 AIBSCMNGQAZMNK-KRWDZBQOSA-N 448.568 1.113 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760355712 SZGWPTAYDCHQQZ-UHFFFAOYSA-N 433.520 1.865 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Cn2cncn2)CC1 1760518419 UPDZKLFTAMIHBS-UHFFFAOYSA-N 441.927 1.804 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760520281 IVMLBUBQGUEETL-QGZVFWFLSA-N 433.520 1.538 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(CCCN2CCOCC2)CC1 1760550572 BTHOIDMCMFIPIP-UHFFFAOYSA-N 425.599 1.516 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1 1760554313 ZITRYSDKWSZJPY-CQSZACIVSA-N 449.499 1.999 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1760556221 XBNSECZGOFIOJE-GCJKJVERSA-N 446.573 1.789 30 10 IDEE Cc1n[nH]cc1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1761607209 BXXOGJBUKCZPBF-KXBFYZLASA-N 434.570 1.683 30 10 IDEE CCN(C[C@H]1COc2ccccc2O1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1765191629 PSSBCXFXAABGEJ-BZROSYFNSA-N 438.488 1.779 30 10 IDEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1765348746 WVYCAQBDSNBJNP-XGHQBKJUSA-N 430.484 1.674 30 10 IDEE CCN(CC1CCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1766807137 RJHYSFXDQRBOEO-UDJKBAMHSA-N 427.509 1.382 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1-n1ccnc1 1771222828 MUNRZQUCOIBYRD-PKOBYXMFSA-N 437.504 1.965 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1771251641 USZIOTKGGPLICU-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE C=CCN1C[C@H](C(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(C)cc32)CC1=O 1851051396 FNUIITIBOVVART-OAHLLOKOSA-N 444.513 1.086 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccccc2-n2cnnn2)cc1 1852634077 IGUIWZBMTPZGQC-IBGZPJMESA-N 434.456 1.471 30 10 IDEE N#C[C@@H]1CC(=O)N(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1852838004 HXBJROFSSYRYGV-JTQLQIEISA-N 432.285 1.527 30 10 IDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)NCCN2CCN(S(=O)(=O)C3CC3)CC2)n1 1853230361 LIEHXQJLZUNBJS-UHFFFAOYSA-N 445.467 1.120 30 10 IDEE Cc1ccc(C(=O)N2C[C@H](CN3CCN(S(C)(=O)=O)[C@H](C)C3)CCC2=O)cc1C#N 1854251474 PPWHTOGHRONUNC-SJORKVTESA-N 432.546 1.211 30 10 IDEE Cn1c([C@H](C#N)C(=O)CN2CCN(c3nnc(C(C)(C)C)c(O)n3)CC2)nc2ccccc21 1859428198 OJUIJCOIJORAAR-OAHLLOKOSA-N 448.531 1.760 30 10 IDEE C/C(=C\C(=O)NCC(=O)Nc1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 1868150245 QYWPFHPUBURNBN-XNTDXEJSSA-N 426.498 1.967 30 10 IDEE C=C(Br)CS(=O)(=O)N(CCO)C[C@H]1CCCN1C(=O)OC(C)(C)C 2006267295 IVZUKUSZUPJDNM-CYBMUJFWSA-N 427.361 1.919 30 10 IDEE Cn1ncc(Br)c1S(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206618941 GNSCNAUIHXQQRS-UHFFFAOYSA-N 443.132 1.678 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)OC1(C)C 2243419443 ZIPMKNQLQZUYCX-IYBDPMFKSA-N 440.309 1.896 30 10 IDEE CC(C)(C)OC(=O)NCC(C)(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243678184 GEERPHVAYJJPNX-UHFFFAOYSA-N 426.348 1.749 30 10 IDEE C#CCCOCC(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2244764535 KSSMMZYPWKVGQY-UHFFFAOYSA-N 425.526 1.999 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247856838 CAYBVOQOWHZGCB-ZIAGYGMSSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248441529 GMBGSEOWXXCDRC-AWEZNQCLSA-N 440.371 1.939 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618620 INRACMLQVFTTKO-UHFFFAOYSA-N 438.334 1.058 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2255658283 BACWEIIHODKYQB-CABCVRRESA-N 432.330 1.933 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2255692213 ADANBGSIPLNHPC-ZDUSSCGKSA-N 435.334 1.101 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255840940 UPFCCYZATJHSJI-GHMZBOCLSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2259927282 WOPIUNREDWNMJS-YEJXKQKISA-N 432.330 1.696 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267116206 NCKWIKRCBBZLIL-WMZOPIPTSA-N 439.369 1.755 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267271337 RITGFIIZYXQKAU-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)COC1 2267872826 LTTPGIGDHLBHTK-UHFFFAOYSA-N 448.329 1.047 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268664429 VHUIEGLPHRLOGT-HOCLYGCPSA-N 447.341 1.937 30 10 IDEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1ccc(OCc2ccccc2)cc1 2330743612 CANOZNYSFJIEQQ-UHFFFAOYSA-N 438.513 1.953 30 10 IDEE CSC[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 461299344 VXWNBWJBCODKPH-YESZJQIVSA-N 438.513 1.984 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)nc1 474342219 NSJWUGLTFMUHDQ-UHFFFAOYSA-N 434.496 1.867 30 10 IDEE COc1cnccc1N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 474678602 BHKHKMBYAXTOLF-LJQANCHMSA-N 434.500 1.595 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 482224469 ZFVCWKBQFIUHAG-BEFAXECRSA-N 426.498 1.537 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 483232254 GUCQRFBWDKOUKH-FHWLQOOXSA-N 428.489 1.806 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1 487576275 WHHNYYOJUJZWLO-UHFFFAOYSA-N 425.392 1.514 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(C)cc1 508498860 VPJDMXVRPKPQCH-SFHVURJKSA-N 435.550 1.621 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2Cl)CC1 508916045 ZMYPCHGOILTOHI-GOSISDBHSA-N 446.939 1.966 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 511414783 MOWRAIVAOKESID-GFCCVEGCSA-N 425.454 1.669 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c1 512865706 PRBSVWZLWMUSBY-LJQANCHMSA-N 439.497 1.984 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cc1 532755840 VYGPGPKYRAHTLI-GOSISDBHSA-N 438.549 1.965 30 10 IDEE N#Cc1c(F)cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1F 559253382 AMNSKDRCDIIIJE-UHFFFAOYSA-N 436.440 1.250 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)Cc3cccc(Cl)c3)CC2)nc1 564147470 JCRCCTPASGLCSX-UHFFFAOYSA-N 432.933 1.767 30 10 IDEE C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1 574126773 FGOISXGOUCQDDL-HNAYVOBHSA-N 426.498 1.142 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(S(=O)(=O)N(C)C)CC1 580604313 FKRKOMUOMFXSMP-MRXNPFEDSA-N 439.607 1.691 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H]3CN(C)C)nnc12 590001680 AWAHXOGSURJQPY-HNNXBMFYSA-N 426.546 1.875 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@@H]1CCCO1 590914707 VAHBRTUJTSQPGQ-ZFWWWQNUSA-N 447.582 1.113 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 611940122 SRXNKZNXUMTOHV-GOSISDBHSA-N 436.520 1.146 30 10 IDEE Cc1cc(=O)c(C(=O)N2CCN(c3ncccc3C#N)CC2)nn1-c1ccccc1[N+](=O)[O-] 619104001 BKTAHQDHKUEARL-UHFFFAOYSA-N 445.439 1.678 30 10 IDEE Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 619106950 HUNWFTOCSKAWKS-UHFFFAOYSA-N 441.557 1.977 30 10 IDEE O=C(NCC#CCNC(=O)c1cc(-c2cccnc2)on1)c1cc(-c2cccnc2)on1 680339796 MWKXNJJBLDVRCJ-UHFFFAOYSA-N 428.408 1.950 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 729335061 HEVGSNQSIQVNHI-DOMZBBRYSA-N 429.325 1.995 30 10 IDEE COC(=O)c1cc(C)nc2nc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)sc12 731594430 GRXLGJIGRDRUBQ-UHFFFAOYSA-N 445.482 1.464 30 10 IDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 731861450 BPEYJOZWHOAIRX-XUTLUUPISA-N 446.529 1.363 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCN2CCOCC2)c1=O 743725521 UBWIXMGDYGSPJE-UHFFFAOYSA-N 446.598 1.125 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(c2cccnc2)C1=O 753146421 CXAIRQBVBGCCEI-QGZVFWFLSA-N 441.513 1.212 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1-c1ccc(F)cc1 758581623 VLLDNHBTDJHSJX-UHFFFAOYSA-N 428.514 1.867 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 763881657 ZTVFJDLNWRHVKH-UHFFFAOYSA-N 430.486 1.966 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2ccn(C)n2)cn1 765547218 KUJNTOYZKRSUKF-KRWDZBQOSA-N 446.581 1.226 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)OCC)cc(C(=O)OCC)c1)[C@@H]1CCS(=O)(=O)C1 774021359 GWNIGGSYYPOTEM-QGZVFWFLSA-N 436.486 1.694 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 774279692 VMSOIHDSQJSGFC-QGZVFWFLSA-N 433.578 1.473 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774576609 MBBDSVDGAGLIAZ-OIISXLGYSA-N 432.546 1.698 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccsc3)c2=O)cn1 790436845 DLZYEGOTXHYHHW-UHFFFAOYSA-N 425.539 1.349 30 10 IDEE Cn1cc(/C=C\C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 792589473 UCYLIOQSSLOLQC-MJRGOJFPSA-N 427.892 1.160 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)c(C)o1 794578454 CAZZHEORSKUZBA-WMZOPIPTSA-N 442.537 1.797 30 10 IDEE C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 803701615 ZEKIVUOLZRHCIB-MRXNPFEDSA-N 432.498 1.241 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 814612007 IXEBDNWYAITWSS-IZZDOVSWSA-N 445.522 1.921 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)cc1 816691459 RORNXCOMZKUHAT-GOSISDBHSA-N 431.470 1.088 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(-c3ccccc3)cc2)c(=O)n1CCN1CCOCC1 916201376 LQDJUSBNXDTWQA-UHFFFAOYSA-N 442.544 1.936 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2N)cn1 1084289386 ZRWCCPAHWUZCDB-UHFFFAOYSA-N 445.509 1.020 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC(=O)N2C)cc1 1134428888 FMNUGWWESMQYKW-YYKUARIBSA-N 431.514 1.001 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)[C@H](C#N)C1 1153865781 IHKOZWZBMCFTTQ-ZYHUDNBSSA-N 428.898 1.627 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc1OC 1167322435 ZCZCUMGHXSSNCY-SJEJWHSFSA-N 430.501 1.750 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CCO2)cc1 1179405997 UMYLVXZPWOKFJE-WOJBJXKFSA-N 446.463 1.388 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H](F)C1 1181756943 NQFXQWZRAVLXIT-HZPDHXFCSA-N 440.497 1.300 30 10 IDEE N#Cc1cn(CC(=O)N2CCN(Cc3ccccc3)CC2)nc1I 1189592177 MCERRRJYFJBXIE-UHFFFAOYSA-N 435.269 1.704 30 10 IDEE C=CCOc1c(Br)cc(CNC2CN(S(=O)(=O)N(C)C)C2)cc1OCC 1203300204 HJNXDHHTJSEFBX-UHFFFAOYSA-N 448.383 1.993 30 10 IDEE C#CCN(C(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1217999998 LBNGZTAEINSPES-OAHLLOKOSA-N 431.436 1.828 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cnn(C)c1I 1265898590 ZACGPWNJXURXBR-UHFFFAOYSA-N 442.217 1.564 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1286270241 JSTBSVIOKDNXKN-AWEZNQCLSA-N 426.912 1.911 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCNC(=O)OC(C)(C)C 1286277060 AOGGRNBZGKRIPJ-CABCVRRESA-N 442.586 1.651 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1286338273 KDBQGXFUZRFMKF-UHFFFAOYSA-N 443.939 1.736 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286396391 PNGMHNGEMCRALD-YJBOKZPZSA-N 434.566 1.049 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1286429470 BONISWAUDXSOPE-GOSISDBHSA-N 447.586 1.492 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1nncn1-c1ccccc1 1286467571 XZRIPOMZTXELPG-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCCCO)CC1 1286492514 HPDQVAWYODARBN-GOSISDBHSA-N 435.594 1.254 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286593955 VXCJBDGRBLAHRT-GOSISDBHSA-N 441.598 1.625 30 10 IDEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286603409 RPHORKKRIVTZNP-LJQANCHMSA-N 438.532 1.247 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccc(O)c1 1286781032 MYDPTNFQFTXQRF-ZIAGYGMSSA-N 436.538 1.094 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286783751 KOHVALCMXUMFHP-CQSZACIVSA-N 449.533 1.235 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(NC(=O)COC)CC1 1286784885 XDTNTMDGVZGGMZ-UHFFFAOYSA-N 446.939 1.632 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 1290439059 HOUZNTAFONDJGC-CYBMUJFWSA-N 437.884 1.607 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)OC(C)(C)C 1297188437 LJLCZAVZAGFTHI-UHFFFAOYSA-N 443.508 1.874 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)C[C@H]1O 1299412896 HEUKUTBDBGCMGG-QXAKKESOSA-N 425.489 1.604 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1300412306 UZEOMNKVJDXANC-QGZVFWFLSA-N 446.552 1.702 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1300537392 GKQLSTUMCKRVHR-GOSISDBHSA-N 439.541 1.509 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301492627 LSCOROSREQMIGL-FQEVSTJZSA-N 440.548 1.557 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1304724874 CIHBDCGETJZWFL-UHFFFAOYSA-N 434.504 1.406 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)cc1 1308042494 BDZZOZMGZGBWMB-UHFFFAOYSA-N 447.948 1.880 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC3(CC2)CO[C@H](CNC(=O)OC(C)(C)C)C3)CC1 1308126863 PWMCXLFORXTGSR-IBGZPJMESA-N 434.581 1.160 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccn2)CC1 1313379434 HJVAPYGRAYBSDN-HXUWFJFHSA-N 427.530 1.160 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 1314901095 VKRPPONWIBNNDW-BTYIYWSLSA-N 440.458 1.604 30 10 IDEE CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1315067814 CJGCTRWIVHCLIV-UHFFFAOYSA-N 446.581 1.009 30 10 IDEE CS(=O)(=O)CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316344294 HMURHXVHUZOCFS-WMZOPIPTSA-N 436.582 1.173 30 10 IDEE C=CCO[C@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1320064470 XJTSPZWMANKKQY-INIZCTEOSA-N 438.550 1.582 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1358939958 LAROQZAIFHYGTJ-LAUBAEHRSA-N 441.523 1.744 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1358956934 MULGLMWVGVZXFI-GHTZIAJQSA-N 436.578 1.746 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1358961061 QVSCYENILSNBKK-SFHVURJKSA-N 432.594 1.642 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1358964532 APOLMKNMXRMBGT-IBGZPJMESA-N 443.573 1.850 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(OC)c2)CC1 1359030818 GXMKVDJRXSYQJM-HSZRJFAPSA-N 425.533 1.742 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CCCO2)CC1 1359038294 QOGZBQRBXDETEQ-NRFANRHFSA-N 428.562 1.594 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN(C)CCOC)CC1 1359039825 XNRMBRPWBCJRQX-NHCUHLMSSA-N 446.640 1.920 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1359055286 ZDSSUMPBFIFDOM-UHFFFAOYSA-N 426.550 1.486 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1359097027 KGWKOLRGLJIYGY-RXVVDRJESA-N 440.548 1.925 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359136800 VCYLXYUAZFVXKK-XMSQKQJNSA-N 435.569 1.874 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1360475987 GIFZNBFZNVTRBE-ILXRZTDVSA-N 443.474 1.621 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 1438194686 NCDRNVGKEMZFKL-UHFFFAOYSA-N 443.481 1.904 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](O)CS(=O)(=O)c3cccs3)n[nH]2)c1C 1446599331 HUVTVAYETHNOLP-AWEZNQCLSA-N 449.558 1.702 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1447200987 CENYVLCDTUGFTG-FDDCHVKYSA-N 430.501 2.000 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](Oc1ccc(Br)cc1)C(=O)OC 1449284070 MNELIIYFQPPSPK-HOTGVXAUSA-N 427.295 1.957 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(NC(=O)OC(C)(C)C)c2)CC1 1455115137 MPSNSZNNOCVWLS-UHFFFAOYSA-N 440.497 1.398 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC(=O)N2C)cc1 1462987392 FMNUGWWESMQYKW-MRCYXTNMSA-N 431.514 1.001 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1466130583 SQPQTGTVDHZSQI-INIZCTEOSA-N 432.525 1.671 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)CC1 1467450740 CIPTZAQNRNPKCW-UHFFFAOYSA-N 439.516 1.961 30 10 IDEE N#C[C@@H](CCc1ccccc1)C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1470347300 HUSPLRSQUOUAGV-OAQYLSRUSA-N 440.569 1.882 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1([S@@](C)=O)CCC1 1503102664 ASBZQHARERFSJP-WJOKGBTCSA-N 443.577 1.709 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1503205089 ZRRPGLIKLCWYPF-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1503669544 BAYDUPINZZNWFP-CVEARBPZSA-N 435.479 1.368 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1503669551 BAYDUPINZZNWFP-HZPDHXFCSA-N 435.479 1.368 30 10 IDEE COCCN(C)CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1504860506 GGSPXNBZYIBUPD-UHFFFAOYSA-N 426.569 1.747 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(C2CC2)C1 1504887526 BXNRFJBDWNZDLK-IAGOWNOFSA-N 436.582 1.031 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@](=O)CC 1507544296 ZWOAAALPASBAKQ-PLTNMMHCSA-N 442.633 1.869 30 10 IDEE C#CCCCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507599443 PPJWUDRQDJDVLS-SXWKCWPCSA-N 431.581 1.891 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1507612660 TVCCFZXYDNPSLU-UHFFFAOYSA-N 445.483 1.654 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507626661 BFAWGRYDVSLKFW-SFHVURJKSA-N 441.557 1.406 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507650139 CODURWRBUIIELC-RTBURBONSA-N 434.548 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)on2)CC1 1507734377 WRTYPMGBXAGSBV-UHFFFAOYSA-N 448.487 1.236 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1507781557 BZKKCWLFEBMSBV-OAHLLOKOSA-N 439.358 1.439 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507804349 KLNSKIWOZVYULF-SIKLNZKXSA-N 430.597 1.956 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507853231 HOYCAOIRIGMQAW-ZDUSSCGKSA-N 447.993 1.271 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1507964412 DZQYGNHLEJUFLU-ULQDDVLXSA-N 425.555 1.192 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCCCCO 1517074535 JEZRFRFOHNRHHK-UHFFFAOYSA-N 426.521 1.664 30 10 IDEE Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2C#N)nc2c1c(=O)n(C)c(=O)n2C 1535553046 PGIJPYDCXIQARG-UHFFFAOYSA-N 433.346 1.963 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1539015353 PHTAAJYPZKPWRA-BSDSXHPESA-N 437.610 1.526 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)nc1 1539147555 CEIAYICGBDGTBN-QGZVFWFLSA-N 445.593 1.637 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539211442 LTBAPTYJNLEERX-IIBYNOLFSA-N 448.520 1.516 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539222079 SVNDSBXHSDTHEQ-PBHICJAKSA-N 447.586 1.528 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Br)n1 1539231126 ORVIWLGZPFSILW-UHFFFAOYSA-N 427.306 1.793 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1539237991 PFCUQCYRYBTCNF-HSZRJFAPSA-N 436.516 1.930 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539307880 YTOJHCXZNPIEMT-QGZVFWFLSA-N 446.964 1.880 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ncnn1C(C)(C)C 1539315436 MMBWYEYBJACFQN-UHFFFAOYSA-N 434.504 1.864 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCn2cnnn2)CC1 1539461292 DFMZAQXNSDEWBJ-UHFFFAOYSA-N 435.536 1.252 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1539578982 GTLUZXRQPGMUGC-STQMWFEESA-N 436.376 1.658 30 10 IDEE C=CCCOCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1540043265 ZGNYFQVRGZUOJL-WWMYMODYSA-N 435.525 1.458 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1540701210 WFDPELSTQSEZFD-HOTGVXAUSA-N 445.582 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C)C1 1540907369 UTTJIJHBNWXVNL-KRWDZBQOSA-N 434.562 1.898 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1541112031 DOZOVJSDYAEBGE-QLFBSQMISA-N 425.484 1.181 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN2CCCO)CCOC1 1541723969 KZYCPHFYMWKJKE-NZQKXSOJSA-N 446.596 1.905 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCCNc1ccc(C#N)cn1 1543449544 IERMTDATRVRKNP-SHPPOPEUSA-N 435.406 1.467 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1548293213 BRSQMNAWCLCBAG-UHFFFAOYSA-N 430.534 1.356 30 10 IDEE C#C[C@@H](NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC)C1CCOCC1 1559019157 ZYKNOFPPVJKMJU-QGZVFWFLSA-N 432.546 1.571 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)s1 1565668892 UEJGXGYPTCELCM-GFCCVEGCSA-N 441.604 1.578 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1565814602 AJUQLPNURWEGSV-NRFANRHFSA-N 449.573 1.318 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCS(=O)(=O)N(C)C)c1 1587693322 RGYCFTACRSYQAF-UHFFFAOYSA-N 446.577 1.424 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(OC)CCOC1 1588006946 VFAMIVATZXEIPA-DEOSSOPVSA-N 438.576 1.518 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1589069443 KZTUEOFURDZGQE-IRXDYDNUSA-N 439.607 1.153 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)C1 1589567171 AZJKEQVXFHJDDN-IERDGZPVSA-N 427.505 1.783 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1594645381 LGOGGHQXOYZIMQ-UHFFFAOYSA-N 438.598 1.617 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NC1(C#N)CCSCC1 1596303126 IXRALEPEMOTAKS-RRFJBIMHSA-N 443.591 1.562 30 10 IDEE CCS(=O)(=O)NCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1607365184 NKDUBCVWWIYTLG-QGZVFWFLSA-N 436.534 1.448 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1614867329 XSICSTMNDBKVHU-LJQANCHMSA-N 437.548 1.929 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1617221384 WCCJBJFAUWOUPC-HSZRJFAPSA-N 439.564 1.042 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1619878108 APCDNPHWLZKNNL-NHCUHLMSSA-N 440.548 1.779 30 10 IDEE Cc1cc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccc1S(=O)(=O)N(C)C 1627931383 CDCDIVUCQXCWIA-UHFFFAOYSA-N 428.518 1.866 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1F 1629556926 DCZWKJFFVWNGHD-CHWSQXEVSA-N 449.460 1.943 30 10 IDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1635343447 RVKFKHYTBVUYTD-QGZVFWFLSA-N 438.546 1.692 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)nn1 1636330785 MOGGUOLINZABTQ-QGZVFWFLSA-N 447.540 1.217 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1636776978 YECKRCCCIBPVJW-UWJYYQICSA-N 449.529 1.058 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1643808834 SOKLLVRSDUTEQB-SFHVURJKSA-N 444.507 1.926 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)c1 1644766065 MWOWKSNEPZTPGK-OEWRPIJISA-N 427.526 1.872 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)nc1 1648460917 VEHACEJBLCZMOC-UHFFFAOYSA-N 434.543 1.254 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 1655772924 YSQSDCIXNWVUBY-LJQANCHMSA-N 427.526 1.929 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 1660903098 ZYJTZDWWFPDBGA-CYBMUJFWSA-N 439.433 1.303 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c2c(Br)cccc12 1666565967 DKMMOFREBDMRTJ-LLVKDONJSA-N 431.333 1.741 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2=O)cc1 1682226183 DMVZNUKYSIUZTH-AJSBUHFISA-N 426.517 1.216 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)c1ccc(Br)cc1 1682356552 ISAGORRXJHPGPT-OAHLLOKOSA-N 431.294 1.861 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1683513356 FATXWGVXMDSAQE-SFHVURJKSA-N 429.498 1.951 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1689847674 FOSQBDOTAPQLMW-INIZCTEOSA-N 443.511 1.880 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1689930074 KHROKHCPJBRYRQ-ROUUACIJSA-N 443.552 1.998 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@@H]1CCOC1 1689960097 YUMODHVNRIWPQX-MRXNPFEDSA-N 432.550 1.503 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1689991163 XLBKZVYEKLJWII-UXHICEINSA-N 444.557 1.603 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1690003834 ZILMFKTVKJTZEA-VJBMBRPKSA-N 428.533 1.731 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690178559 BUXHZOYZPXKLIV-UHFFFAOYSA-N 434.591 1.148 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@@H]1NC(=O)NC1=O 1690577251 DWIYQGJXRFMTQE-GJZGRUSLSA-N 443.533 1.472 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCC2(CC1)OCCO2 1690678545 ZQEJCQPPETWAIQ-LPHOPBHVSA-N 449.552 1.426 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC(N)=O 1690724668 UBUFBIWBTLXZBI-YOEHRIQHSA-N 449.533 1.092 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1Cc1ncn(C)n1 1692528849 LWGLOJNUCCXNSF-LJQANCHMSA-N 447.547 1.924 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1692590086 BMBKGJNRFKQHOB-PGRDOPGGSA-N 440.504 1.195 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1695605080 PBUGYLCKKUIFBH-MRXNPFEDSA-N 427.509 1.879 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705523215 TVVXNRAVTZJJGX-UHFFFAOYSA-N 437.548 1.590 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705533399 XEWWZEPLZDHUQD-RTWAWAEBSA-N 430.597 1.427 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCSCC2)CC1 1705641596 LVZDLXKASBHPSC-UHFFFAOYSA-N 440.617 1.704 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1705727908 IJAPEHDEHKHRLO-INIZCTEOSA-N 428.541 1.805 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705744570 IEHKVCGWCKXQHT-OAHLLOKOSA-N 442.973 1.271 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1705899597 ZNTHCNZWAQXGLW-UHFFFAOYSA-N 435.532 1.420 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 1705904860 ANSHWAZNYACSFB-UHFFFAOYSA-N 430.940 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705935104 HLHQFBHMASJKRI-AEFFLSMTSA-N 447.536 1.324 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706431011 PVSRCHJFAVSVKS-HTSCIXTASA-N 444.536 1.387 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1706749929 GVOHRCDHFVVDEP-INIZCTEOSA-N 429.550 1.959 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)OC 1712153533 XSKPNIOQGPPUGN-GHTZIAJQSA-N 445.545 1.493 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1712886092 IFGPPNWZVJXCJV-QGZVFWFLSA-N 434.566 1.469 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1722353201 UFFWVVCQHNTHBD-IBGZPJMESA-N 431.562 1.654 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722372224 RXEMNQFYHWNLRF-GOSISDBHSA-N 447.605 1.854 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1S(=O)(=O)N(C)C 1722416389 MFWJXFAFOMKDNZ-UHFFFAOYSA-N 444.561 1.159 30 10 IDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1722461670 UCZQTQHXBUDMCG-UHFFFAOYSA-N 427.574 1.839 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1722504009 XXHWASZEGYNGJR-PXNSSMCTSA-N 430.597 1.957 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CCC)C(=O)C1 1722506671 VBRXKHGCDNSYLL-GCJKJVERSA-N 444.580 1.830 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722536977 JQRVVEVBBSXOIP-MSOLQXFVSA-N 439.582 1.125 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1722607687 YORSIHGGPGSSNE-INIZCTEOSA-N 432.550 1.473 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722700746 SKFLEFGXYJISJA-INIZCTEOSA-N 431.566 1.289 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCOC2)C1 1722729241 GTUNHTLOEKPWCE-IBGZPJMESA-N 437.591 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC=C(COC)CC1 1722730108 IUYCEUBJMMFUHZ-UHFFFAOYSA-N 434.566 1.523 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1722864524 AXFNHMDIYRJJMJ-QLCIJSRNSA-N 439.549 1.818 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1729677719 QLXPYZDYWZSJRO-UHFFFAOYSA-N 449.559 1.953 30 10 IDEE COCC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1730505715 RLOXZSKOZAORTG-DNVCBOLYSA-N 442.561 1.927 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1730690979 KEIYRWUKRFBAMR-IBGZPJMESA-N 425.537 1.487 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@H]1COCCO1 1740631088 PMTKVUBLZFJDIF-SFHVURJKSA-N 440.500 1.849 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1740632313 ZQCAPTGNPKAWOL-QRWLVFNGSA-N 449.964 1.522 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740793172 GUTMCXDASVGBIS-UHFFFAOYSA-N 439.520 1.377 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1740964118 IMPYSFXQKLNQLZ-UHFFFAOYSA-N 440.548 1.778 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740999925 IFIISCXJESTXQW-FQEVSTJZSA-N 444.565 1.412 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC[C@@H](C)N1CCCCC1 1741903973 GHCUCUZIESLTLM-ZACQAIPSSA-N 425.603 1.891 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1741906893 ZOYTYLYLKWEJLP-LSDHHAIUSA-N 432.550 1.748 30 10 IDEE CC/C=C/Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1745076538 IEGFEZFGJJVHKJ-FUTAKVPZSA-N 430.534 1.890 30 10 IDEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1746160927 AJLLICQRTUKMBO-IBGZPJMESA-N 425.537 1.500 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1747704449 HNDJHYRMTLEJSP-SFHVURJKSA-N 442.545 1.562 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1747837687 CJQDGBVDORLJSX-HXUWFJFHSA-N 436.520 1.996 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCOC 1748777085 YIOGPTBVGTWVDK-FQEVSTJZSA-N 435.550 1.052 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748811467 HLFXMQGZMLJEGR-SJORKVTESA-N 444.561 1.272 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1748994758 PYZJZURLWXCXCR-UHFFFAOYSA-N 434.466 1.497 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)C2CCC2)CC1 1749010245 JFGVNKHKGLVFQM-UHFFFAOYSA-N 449.559 1.612 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749251428 FGFZLWVQIALFCA-XHSDSOJGSA-N 447.005 1.188 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1749464775 DOCLIUCGQXBDLP-INIZCTEOSA-N 433.582 1.944 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1749597363 DICOPIPTKGULNP-BZSNNMDCSA-N 434.585 1.756 30 10 IDEE COCC[C@@](C)(O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1749618429 QCPUKSSAVOGPSQ-JOCHJYFZSA-N 427.553 1.956 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1750082936 YVBATRSOHKHQKB-SFHVURJKSA-N 426.521 1.831 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1750200002 GQFVEZLSUKJTRQ-UHFFFAOYSA-N 426.502 1.790 30 10 IDEE Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1751863965 JRKNSBHWYHCOCN-MEDUHNTESA-N 442.546 1.123 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1760175531 LQSDEVGZXRIDGN-KRWDZBQOSA-N 427.530 1.425 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1760176069 YOFZXRXTCKYUDD-MSOLQXFVSA-N 443.573 1.785 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1760210289 PTFOTZMZDNGBPQ-QGZVFWFLSA-N 429.546 1.546 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 1760275533 ZMFNMGOJUMTGKX-HNNXBMFYSA-N 429.612 1.649 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760450689 PRILXDLCZMRYEX-IXDOHACOSA-N 427.571 1.296 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCN(C)C1 1760482800 QXBXYEKGJVKLHU-QFIPXVFZSA-N 430.528 1.815 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760755101 MXRLEVSNWVATSH-FZFLATATSA-N 443.552 1.485 30 10 IDEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1763866929 SWDQBTSBZAJZFK-GUDVDZBRSA-N 427.505 1.992 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(C#N)o1 1770172265 LVMXWTKRKDPKDT-KSSFIOAISA-N 430.509 1.866 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1771295229 IXMVVCHCCFWQNZ-WKRCXCSHSA-N 436.532 1.412 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1 1849769729 VSXQJQOZJJCHIA-QGZVFWFLSA-N 430.461 1.535 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1F 1853871897 XGUYZTIRILMTED-HNNXBMFYSA-N 437.493 1.914 30 10 IDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CNC(=O)c3ccc(N)cc3)sc2c1 1866101745 AEBQUOJGBXEXOG-UHFFFAOYSA-N 445.526 1.711 30 10 IDEE Cc1cccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1C 1870144778 KWPMYEVHBHYHCS-UHFFFAOYSA-N 430.424 1.999 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870570408 BWIPPXMCZDHHFG-OKILXGFUSA-N 433.534 1.821 30 10 IDEE C=CCN=c1nc(Nc2ccc(OCCCC)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871613021 NHGZDOAXEKYVQX-UHFFFAOYSA-N 427.553 1.928 30 10 IDEE C[C@H](C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1)c1ccc([N+](=O)[O-])cc1 1890179850 JQNRBFDIDFESHH-IBGZPJMESA-N 428.533 1.957 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)CNC(=O)c3cccc(C)c3)CC2)CC1 1891085057 XZIJKPLGWVRIKT-UHFFFAOYSA-N 440.588 1.373 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]21 2006263278 OVBPNPVDMSJFLX-FDYHWXHSSA-N 425.345 1.885 30 10 IDEE Cn1ncc(Br)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2054378428 FTOUAJAGOOCAAA-SNVBAGLBSA-N 434.316 1.316 30 10 IDEE C#CCn1ncc(NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106021903 LSVNNHXTLXDULW-QGZVFWFLSA-N 427.299 1.423 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CN)c1c(Br)nnn1C 2194770211 JBDFWGNAZRRFNL-CQSZACIVSA-N 441.374 1.912 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2244994295 WZJSLMWHYSLLNU-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2247834356 UTZHNORRLVUSME-NWDGAFQWSA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)NC1CN(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248403243 DYEFGHALVWSNBO-UHFFFAOYSA-N 438.359 1.861 30 10 IDEE Cn1nc(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255624994 LAAZRHMAQNXOFZ-KGLIPLIRSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255832318 KHOOOZLXNYHSRC-ASSNKEHSSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255882798 VLAIGGPYVGEODB-NRFANRHFSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2256624876 PVHFYOBPPGTAHX-INIZCTEOSA-N 432.326 1.761 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1COC1 2256667654 RFWXEWWEOZIPTJ-MRXNPFEDSA-N 433.314 1.859 30 10 IDEE Cn1ncc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267010594 VZZOKZNCTHCANA-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267266938 GZFYOOUCWQGUJJ-HUUCEWRRSA-N 447.341 1.481 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(Cc3ccccc3)CCC2)n1 2267548063 DCLVJVTUHXEVOX-UHFFFAOYSA-N 439.369 1.853 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2334265291 AVRINEZYRIINTQ-MCIONIFRSA-N 447.345 1.100 30 10 IDEE C[C@H](NC(=O)CSc1nnc(N/N=C/c2ccc(O)cc2O)n1N)c1ccccc1 20292385 VFDHVYCHZBCBQX-SQWLXVSWSA-N 427.490 1.819 30 10 IDEE N#CCCNC(=O)COc1c(Br)cc(S(N)(=O)=O)cc1Br 216034765 JBOLBNGLCODBBT-UHFFFAOYSA-N 441.101 1.268 30 10 IDEE COc1ccc(CN2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254898615 VYZNWSCIJXVDMZ-GJZGRUSLSA-N 426.516 1.547 30 10 IDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 441779226 UHKMZNCEIOOJBV-MRXNPFEDSA-N 432.488 2.465 30 10 IDEE CCN1CCN(c2ccc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cn2)CC1 443106859 FIPDAPNAKPSBRF-UHFFFAOYSA-N 430.490 1.482 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccn3)CC2)cc1OCC 476255992 IGYOCYVCJAWVNL-UHFFFAOYSA-N 444.513 1.897 30 10 IDEE C=CCNC(=O)CN1CCN(c2ncc(Cn3cc(Br)cn3)s2)CC1 485813696 OUJSLBHBLGDDKU-UHFFFAOYSA-N 425.356 1.575 30 10 IDEE COc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)ccc1OCC(N)=O 502460284 YSXQHXCXOJAIKQ-INIZCTEOSA-N 440.481 1.585 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 508921256 LDKHZVNHEDJJNS-LPHOPBHVSA-N 431.562 1.692 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 511414785 MOWRAIVAOKESID-LBPRGKRZSA-N 425.454 1.669 30 10 IDEE C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513789795 NSGNZCPNEMXDIE-FQEVSTJZSA-N 427.438 1.528 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1 515742130 DCMLJLKSGULKMH-AWEZNQCLSA-N 431.436 1.837 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 539250561 DTHUAOVERCPYPK-QZTJIDSGSA-N 445.530 1.802 30 10 IDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 544837916 GJYMREPCSNKPQU-IBGZPJMESA-N 434.548 1.391 30 10 IDEE C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1n1ccnc1 558055748 FUKJLEYHUOFDPC-AHRSYUTCSA-N 434.500 1.082 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)nc1 585757409 VZPUDFIYFQKGCP-UHFFFAOYSA-N 436.447 1.102 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCCO1 603798436 LHMKYNYTIKBZDA-QGZVFWFLSA-N 441.553 1.517 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 603820055 JLNSNQDHJUMGBU-UHFFFAOYSA-N 438.962 1.896 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccccc1C 603991164 ZNHARTXVGURUSH-UHFFFAOYSA-N 443.528 1.948 30 10 IDEE COc1ccc(S(=O)(=O)NCCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1OC 619869960 CCRXIOHAWOJUFE-UHFFFAOYSA-N 439.440 1.838 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 728089183 PGXGIZCTJLGKLX-CYBMUJFWSA-N 444.465 1.910 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Cc3ccc(OCC#N)cc3)ncnc1-2 732073644 AVEISVFWBNAIAL-UHFFFAOYSA-N 444.293 1.172 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 732495478 NCRKYJDDUHGWAN-GORDUTHDSA-N 438.387 1.850 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 734292927 KOWILBRXLZZPLT-OAQYLSRUSA-N 438.465 1.065 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(C3CC3)c2=O)cn1 735069674 YJKHIKJZBJYPMX-UHFFFAOYSA-N 435.557 1.720 30 10 IDEE C[C@H](c1ccccc1)S(=O)(=O)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 737348912 QKRVWTXTWZHSFD-RDTXWAMCSA-N 440.481 1.970 30 10 IDEE CCOC(=O)c1c(NC(=O)COC(=O)c2cc(C#N)cn2C)sc(C(=O)NC)c1C 751729480 UDUUMGGWZCTRDY-UHFFFAOYSA-N 432.458 1.599 30 10 IDEE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760775286 WJYNKHHUQGKHOR-FQEVSTJZSA-N 432.484 1.800 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C)[C@H]1CCS(=O)(=O)C1 774040368 YFXQGMWFYPTIKH-KRWDZBQOSA-N 435.571 1.838 30 10 IDEE C#CCN(C(=O)NCc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1CCS(=O)(=O)C1 774172181 MJZFWIBKVBYVLR-GOSISDBHSA-N 429.498 1.542 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774254359 WCNDPEXXKOCQDC-IAGOWNOFSA-N 435.546 1.362 30 10 IDEE C#CCN1CCC(C(=O)N(C)[C@H]2CCCC[C@H]2N(C)C(=O)C2CCN(CC#C)CC2)CC1 775785023 XBNMYJWKDCUEHO-PSWAGMNNSA-N 440.632 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)[C@@H](C#N)c1nnc2n1CCCCC2 777295645 HESUKUUHNRPDKH-CABCVRRESA-N 430.509 1.696 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2c(Br)cnn2C)c1=O 782793359 PHVUYAYUYFQERS-UHFFFAOYSA-N 433.331 1.157 30 10 IDEE C#CCN(C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1)[C@H]1CCS(=O)(=O)C1 787144189 OYGCSZLJVWRCEN-HNNXBMFYSA-N 438.575 1.953 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)n1 788695444 NVNYGKYJRAJOAK-NRFANRHFSA-N 444.557 1.599 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 790107529 DYTLFRDSUJDTAS-IBGZPJMESA-N 438.484 1.316 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=O)CN2CCCCCCC2=O)cc1Br 790838007 BHVOZKVVHQGHOS-UHFFFAOYSA-N 428.308 1.918 30 10 IDEE C[C@H](C(=O)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)n1cnc(C#N)n1 798744523 UENHETQGHOPALM-GDBMZVCRSA-N 425.445 1.779 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CSC2(C)C)cn1 802719781 ACYGEQUBNHHHDD-HUUCEWRRSA-N 438.623 1.796 30 10 IDEE C[C@@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 803847286 BPHVHOMWDMGFSW-CQSZACIVSA-N 444.469 1.158 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCO3)n2C[C@H]2CCOC2)c1 812380762 PEALWQCZHBZQIG-IEBWSBKVSA-N 425.489 1.459 30 10 IDEE O=C(CSc1n[nH]c(NN=Cc2ccc(COc3ccc(F)cc3)o2)n1)NCCO 1084225893 IMMSTRLUXYBDDA-UHFFFAOYSA-N 434.453 1.762 30 10 IDEE C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)O2)CO1 1133891060 UYUMSQXUIBSTLH-PERKRYKHSA-N 447.557 1.802 30 10 IDEE C=CCn1c(SCC(=O)N2CC3(C[C@H](O)CNC3=O)C2)nnc1-c1ccc(Cl)cc1 1154865715 FSXSJJBZTGQXJD-HNNXBMFYSA-N 447.948 1.586 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)CC1 1157009652 QZMRVVCKYPBBLA-UHFFFAOYSA-N 426.517 1.445 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ncc(C(=O)OC)s2)ccc1F 1157906523 DXJRZYNTZPBTRA-UHFFFAOYSA-N 427.479 1.506 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1160198333 WIBCBOKYODHMAF-JLTOFOAXSA-N 430.486 1.215 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c3cccnc3)n[nH]2)c1C 1171206898 GUODMYQCDRDFIR-WOJBJXKFSA-N 438.488 1.866 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1ccnc1C 1286278991 IMRDOCAUGALQNS-INIZCTEOSA-N 441.561 1.858 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N1CCSCC1 1286367438 JVDNNDYSHUKKCP-UHFFFAOYSA-N 440.982 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1286410225 ZGOKZZBOIOCOKZ-UHFFFAOYSA-N 425.920 1.844 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1286410848 XHVRMGSRUDCOIR-NRFANRHFSA-N 439.585 1.753 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286513405 VAYFZKWHIBKROK-HXUWFJFHSA-N 437.566 1.574 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286705972 INFQKHQULDXDHX-INIZCTEOSA-N 440.508 1.074 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1286783755 KRTLCTPOAIDFJT-YJBOKZPZSA-N 437.508 1.084 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1286905853 AJCHSSWSDZDBDQ-OAQYLSRUSA-N 437.548 1.644 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCC(O)CC2)CCOC1 1286961337 NQLBJLZZCHLPCV-PGRDOPGGSA-N 434.585 1.761 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1287262802 YZEPXLQYCRYTFZ-PLGXQAJASA-N 427.509 1.238 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)CC 1300536429 XKGOHZKXANVEQV-UHFFFAOYSA-N 442.564 1.944 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300732700 DGENMOMCSDGNHF-FQEVSTJZSA-N 441.517 1.323 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOC)CC2)CC1 1301086532 KWECLFNUYPVYRW-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1301137868 XSJQULQLHNTSCK-MRXNPFEDSA-N 448.597 1.607 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301508540 NLJYANBNLBWVQB-UHFFFAOYSA-N 438.598 1.173 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)C2)c1 1301633869 JSYCRVCUUMBIFU-UHFFFAOYSA-N 431.543 1.560 30 10 IDEE C#CCCN(CCOC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1309714079 QNYVXOLJMKKLNY-UHFFFAOYSA-N 428.576 1.912 30 10 IDEE COc1cc(C#N)ccc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1356240917 NHJIWEQWNQLZQR-UHFFFAOYSA-N 444.469 1.841 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C(C)C)cs1 1358949255 WWPDWAFDWULVLZ-HNNXBMFYSA-N 438.579 1.309 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1358978498 OIKAFLWDURWNLO-IRXDYDNUSA-N 449.577 1.556 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CCCO 1358996208 WSKHNHCDUCYANJ-FQEVSTJZSA-N 426.590 1.944 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1359027128 XBPNZUNISVCARX-GOSISDBHSA-N 432.546 1.686 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NCCC)CC1 1359032792 CVLXEUPKPWZKPR-UHFFFAOYSA-N 426.521 1.244 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)CC1 1359137421 PHRPZMXZUSMWMY-ICSRJNTNSA-N 445.568 1.655 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359293681 WZDURBUVEBRJEZ-VQTJNVASSA-N 440.548 1.464 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CCOC)CC1 1359295419 ARZSJCKSWTWBFL-UHFFFAOYSA-N 448.955 1.678 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1359304956 ORJQOUSVJZPLEI-UHFFFAOYSA-N 432.447 1.012 30 10 IDEE COCCOC1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1436304950 SLHPTGSFLMDADQ-SFHVURJKSA-N 444.488 1.092 30 10 IDEE N#C[C@@]12CN(C(=O)c3cccc(F)c3I)C[C@H]1CS(=O)(=O)C2 1439616311 QTGBHGPSPPGKNA-XPTSAGLGSA-N 434.230 1.441 30 10 IDEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(I)cc1 1439793570 FIAKTBUXYFYHTE-PVXIVEMSSA-N 444.294 1.791 30 10 IDEE COCCCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1444263880 MZFSDSUVFCMOFI-UHFFFAOYSA-N 425.482 1.128 30 10 IDEE Cn1cnnc1[C@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1453826015 KMHLGPBJUSAJSM-IRXDYDNUSA-N 426.477 1.371 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)OCC)cc1 1455640317 LJGJCMCSDKJTRI-HNNXBMFYSA-N 433.490 1.423 30 10 IDEE N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)nc1Cl 1456143061 MUNTYOMUBGLZEE-OAHLLOKOSA-N 427.896 1.632 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccccc2)cc1 1463880700 CLSOXBWMVXEMRR-UHFFFAOYSA-N 430.526 1.752 30 10 IDEE COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466413697 PSEICVBPGDCROU-RJTVGWIUSA-N 435.521 1.952 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 1467273452 DLPGXFZAYYFFMO-OAHLLOKOSA-N 446.566 1.863 30 10 IDEE Cc1ccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1469412644 YKSJSURGPNBRPB-OAQYLSRUSA-N 435.351 1.324 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1503283791 XTESQMQFAPKTEK-CRAIPNDOSA-N 432.550 1.617 30 10 IDEE CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1505257576 MLEKAWKJOKEWFQ-OAHLLOKOSA-N 443.581 1.546 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccn(CC)c1=O 1507524651 VYWXKLFZMYWOKT-INIZCTEOSA-N 429.488 1.609 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(=O)NCC)cc1 1507652348 HOXHBVJLRXNTBW-UHFFFAOYSA-N 444.495 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)(C)O 1507663128 UDQWTSNXWOCAGF-UHFFFAOYSA-N 443.573 1.819 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507781753 HWTZUYDRFWDMOG-RDTXWAMCSA-N 439.358 1.439 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507848164 NTAZFEFYRHBGTP-KRWDZBQOSA-N 426.525 1.784 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508145246 YPCZDMXMHRSXMO-GOSISDBHSA-N 444.561 1.066 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1508335213 CLNNCSVQVPEQSI-UHFFFAOYSA-N 431.447 1.303 30 10 IDEE CC(C)(C)c1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508511635 UUIUVJTZOPSJBX-HTXNQAPBSA-N 437.504 1.765 30 10 IDEE CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1514401120 HNVBKEGKZJQICR-ZDUSSCGKSA-N 433.538 1.613 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1516849710 DECKSFLUCPUXND-HZPDHXFCSA-N 432.550 1.760 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1517238616 CBXWPBDSRNDJFV-UDJKBAMHSA-N 425.493 1.283 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1539211639 MXVZNEKCQXVSPS-KRWDZBQOSA-N 433.578 1.973 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539231366 RPNVIDARWBGINI-IPMKNSEASA-N 435.594 1.631 30 10 IDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1539759409 HEDKRBNZEHPIND-GOSISDBHSA-N 429.546 1.851 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1539770252 HSQGGEXVMYHXFR-MRXNPFEDSA-N 435.960 1.849 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C1=O 1540219854 XMUYGHKXJVEDPP-QFIPXVFZSA-N 448.520 1.745 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1540870456 NVSUSMOLMOUQSS-KSZLIROESA-N 448.568 1.189 30 10 IDEE CC(C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541300146 URZGZGSRZGMOLM-JOCHJYFZSA-N 439.520 1.342 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)CCOC1 1541733859 WWDXXCNXFKYHGA-GCJKJVERSA-N 448.568 1.158 30 10 IDEE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1545176068 ANKKAOALGFADJH-UHFFFAOYSA-N 445.520 1.849 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1546071688 KZZQIGYTMIRJHE-UHFFFAOYSA-N 449.570 1.465 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1547193119 IVYNOPIKSWEZFU-RCCFBDPRSA-N 436.582 1.173 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1552871964 YCHKDZICZXNHAA-TZIWHRDSSA-N 440.548 1.890 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1567388054 NTPVUFPNCLVOEX-GXZWQRSESA-N 438.525 1.624 30 10 IDEE COCCCn1c(S)nc2cc(C(=O)N3CCC(C#N)(C(=O)OC)CC3)ccc2c1=O 1568995333 PPPVPOYUXNEPBI-UHFFFAOYSA-N 444.513 1.641 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587668336 XLLRHRRUMLAINF-UWJYYQICSA-N 432.546 1.481 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588024667 IVSZWSAPMNTRLR-SQNIBIBYSA-N 433.578 1.577 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1593717077 BJERZWOIIJVLNG-UHFFFAOYSA-N 429.521 1.841 30 10 IDEE C[C@@H]1c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2CCN1C(=O)OC(C)(C)C 1597371294 BFVQIDXNMKAEAX-WIEQDCTASA-N 448.545 1.810 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1619833950 AXNVRANDYIXTOT-UHFFFAOYSA-N 425.537 1.487 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1620318297 WORJGMVTNUDXOI-IWAYJWFOSA-N 437.504 1.404 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@@H]2C(=O)NCC23CCOCC3)n(Cc2ccccc2)c1C 1620616917 NXSHKOJXXGIBAV-OAQYLSRUSA-N 435.528 1.848 30 10 IDEE COc1ccc(COCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1624061680 BWGQOAKIYFFQBK-UHFFFAOYSA-N 430.486 1.012 30 10 IDEE N#Cc1c(CCCNC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)nn(-c2ccccc2)c1N 1624278591 WPIGZTSHDRUVME-GJZGRUSLSA-N 434.422 1.690 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 1632328514 JYLXASHEIFBEDP-UHFFFAOYSA-N 440.435 1.754 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 1634855105 FOFVJPSSRYITNB-IBGZPJMESA-N 440.525 1.186 30 10 IDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCN(Cc2ccccc2)C1=O 1635973805 UMTMDRNVPCTOAK-IBGZPJMESA-N 429.473 1.996 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1638705639 JGDGHWFFDXDCDZ-SJORKVTESA-N 437.537 1.906 30 10 IDEE C#CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)C(=O)OC 1638826046 GYVQYFOCFCWHEQ-IRXDYDNUSA-N 434.290 1.659 30 10 IDEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CCOCC1 1645986911 OLKURSCBRIDKHL-ZJPYXAASSA-N 440.562 1.201 30 10 IDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1649561310 BJIBZEXEAVTOPS-YLJYHZDGSA-N 437.504 1.178 30 10 IDEE N#Cc1ccc(CNC(=O)CN2C(=O)c3cccc(Br)c3S2(=O)=O)cc1 1656933698 GHBBAVNVWZBFGZ-UHFFFAOYSA-N 434.271 1.782 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cnc(Br)cn3)C2=O)cc1 1672352869 KVFKPBMWAYHFMY-OAHLLOKOSA-N 429.278 1.711 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NCCN3Cc4ccccc4OCC3=O)CC2)cc1 1685233499 GXSQNCBDHTXRGQ-UHFFFAOYSA-N 433.512 1.807 30 10 IDEE C#CCOc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1686550377 RTEFYGBKWOZQEY-QGZVFWFLSA-N 442.516 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1689828828 RSIISZBRLRNOAH-MJBXVCDLSA-N 436.504 1.230 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1689985885 DOSNRNMYMAPSOE-CQSZACIVSA-N 435.937 1.361 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689986903 ZKCDELMVDSFJLM-QGZVFWFLSA-N 444.557 1.886 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690243202 IHLIUTYITJKVRM-SJLPKXTDSA-N 447.565 1.188 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1690563673 ZYUQJYMKLADUSN-LAUBAEHRSA-N 448.593 1.148 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1690642492 SGEIBTFNAHTXSM-LJQANCHMSA-N 426.521 1.755 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(NC(C)=O)CC1 1690669036 RNAHOQZUAKVFNF-UHFFFAOYSA-N 448.531 1.538 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C)C1 1690671004 NIDKEERGBNSZLU-IRXDYDNUSA-N 448.568 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@H](C)C1 1690723490 TVJAJBRZKRFJMY-WBVHZDCISA-N 445.545 1.618 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)CC1 1690752203 AUMOMDCMCHUJNZ-HKUYNNGSSA-N 447.609 1.981 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1691001079 CBFSRCDWGTVOKE-MRXNPFEDSA-N 429.525 1.714 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1697111576 AHMSVMFZCLTWOO-INIZCTEOSA-N 446.515 1.672 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1705566332 NIUNQIRNRKNWNM-IBGZPJMESA-N 444.557 1.856 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1705625198 ZWCXUPFYIPRQPU-INIZCTEOSA-N 446.529 1.585 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)C(C)(C)C)CC1 1705646677 NHLNDDTYZVMRHV-UHFFFAOYSA-N 440.548 1.975 30 10 IDEE C=CCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1705893387 GRFGSVAGEFICSP-JOCHJYFZSA-N 442.520 1.658 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NC(C)=O)CC1 1705898198 DNFOUSTVNGUBNE-UHFFFAOYSA-N 442.520 1.369 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@@H]2C)C1 1705924921 HPIRTSGKMJBRQD-HZMVEIRTSA-N 425.555 1.048 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(F)(F)CC2)nnc1[C@]1(OCC)CCOC1 1705939161 SQTOFNKCMBMKCV-KRWDZBQOSA-N 434.509 1.767 30 10 IDEE CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1710280431 ILSBRUUSXAZDHI-VERZRFAGSA-N 443.552 1.577 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1711267198 HPQDYYQEVWNKQU-SFHVURJKSA-N 440.529 1.627 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722280972 LUJYPTLOFNOPKT-HUUCEWRRSA-N 432.506 1.593 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722367493 WGTWKJOTJBNXPR-UGKGYDQZSA-N 444.557 1.605 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1722369495 AAWAQEGZBBNGDR-ZWKOTPCHSA-N 445.545 1.598 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1722446210 AZELCFCNFNLCRG-GOSISDBHSA-N 439.520 1.457 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1722518130 UXWHYRVPRQICGD-MSOLQXFVSA-N 440.614 1.498 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722585119 UEYQHQUALQHOAZ-UHFFFAOYSA-N 432.941 1.973 30 10 IDEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722618267 DUJGAGHONZBKJW-UHFFFAOYSA-N 435.536 1.365 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@@H](C)C1 1722697216 JHNLJCQVSXBOCJ-GASCZTMLSA-N 431.566 1.633 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722744712 VRMRWSXPPHBDAR-GOSISDBHSA-N 434.610 1.793 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1722819158 AQMHUJKKNVBBMG-LJQANCHMSA-N 426.521 1.996 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CCO1 1722841390 DDCPQHIRDVDRIJ-OAQYLSRUSA-N 435.532 1.420 30 10 IDEE CC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1726508293 CBTGZQSIGQOGDL-JFBYDENWSA-N 441.536 1.771 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1729100950 OSUNFGHQOJJNJN-CVEARBPZSA-N 433.534 1.946 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)CC1 1730420766 APGQENUPDXPXFF-UHFFFAOYSA-N 426.521 1.973 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1740597989 ZOQPCCQOOMOFIR-UHFFFAOYSA-N 435.525 1.878 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1740624081 FCUUWKLRVUFXJZ-IBGZPJMESA-N 444.561 1.113 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1740626192 KEORIYJZALOAJR-HZPDHXFCSA-N 435.937 1.505 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCC(=O)N(C)C)CC1 1740695994 IVTYNFVBEPLFDK-FQEVSTJZSA-N 438.532 1.414 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740874010 KXFVPQGIBNRQRE-IHPCNDPISA-N 443.596 1.574 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@H]1CCOC1 1740950665 CDAUUHCCPKBJJI-QGZVFWFLSA-N 426.521 1.922 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1741476283 GZBMCRCNRDYWLL-SFHVURJKSA-N 436.564 1.985 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1743354731 FCLCHVJDMSDEPK-RDJZCZTQSA-N 430.534 1.323 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1748891791 FZJCUWGDNAVWQA-SFHVURJKSA-N 447.586 1.378 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccc(OC)c2)CC1 1749001523 VLVZYMVLFTZDJD-HXUWFJFHSA-N 438.532 1.323 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749218361 MRWVBRCHNKBJHE-UHFFFAOYSA-N 444.561 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749666073 GEFASDHVWOBHDM-CQSZACIVSA-N 430.534 1.598 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1ccccc1 1749669877 OTVZEUNJLXHOJO-GOSISDBHSA-N 431.562 1.551 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1749676387 OMHUDSXOPICJJY-WJOKGBTCSA-N 438.557 1.940 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2cnccn2)CC1 1749677682 HTFASJOBMIIQDX-UHFFFAOYSA-N 448.531 1.584 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC)C1 1749686665 DAVISNLSVSHCHM-IBGZPJMESA-N 441.532 1.979 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC(C)CC1 1750154956 VQSNLOZKSVPYJC-UFYCRDLUSA-N 432.569 1.853 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)NC)CC1 1760147184 KABFXVIGLQUESB-UHFFFAOYSA-N 429.546 1.724 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760188997 FCDFPZTYZKGKOX-LJQANCHMSA-N 430.578 1.231 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1760192964 PXNGGTAISFCPMV-RTBURBONSA-N 437.610 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1760194818 RAQQGIJWYCDCRU-KRWDZBQOSA-N 437.529 1.195 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1760232381 CLHDLEMCVGRVSD-HNNXBMFYSA-N 440.529 1.086 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760351891 MIBUGLNQPITHBT-UHFFFAOYSA-N 445.568 1.936 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC)[C@@H](C)C1 1760514580 AFWPBAJRSIZQIW-ZDUSSCGKSA-N 436.358 1.868 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCOC2(CCOCC2)C1 1760527743 HIYHKQMFWQKYFQ-UHFFFAOYSA-N 445.495 1.684 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCc2cccnc21 1761500982 DGACUOHSDQOWDK-USXIJHARSA-N 445.549 1.132 30 10 IDEE CC(C)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1761506116 VIWCLEDRVFPZMQ-XJKSGUPXSA-N 438.579 1.979 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1770156679 KTAQCJUWFMDGMM-RXVVDRJESA-N 440.548 1.637 30 10 IDEE C[C@H](C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N)N1Cc2ccccc2C1=O 1851122709 WPVGSVSCWKEQST-OAHLLOKOSA-N 429.484 1.560 30 10 IDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@H]1CC(=O)N(C2CCN(C)CC2)C1 1852834895 SRSSPDRDSNUFDE-INIZCTEOSA-N 429.521 1.421 30 10 IDEE Cc1ccc(S(=O)(=O)NC(CN2CCSCC2)=NOCCCN(C)C)c(C)c1 1853553872 QRNLDBGYYNWBOD-UHFFFAOYSA-N 428.624 1.912 30 10 IDEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C(=O)C2)C1 1856854388 FACVLIIMVMWEAO-OAHLLOKOSA-N 445.328 1.205 30 10 IDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(CCC)c1 1861241010 IBYVRSBXJUAYTE-HXUWFJFHSA-N 425.485 1.827 30 10 IDEE CC(C)[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868783908 UIQASKUJBKVRRP-QUCCMNQESA-N 431.606 1.940 30 10 IDEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN(CCO)CCO)cc1=O 1870383290 DDSOPZUTUQJITO-UHFFFAOYSA-N 432.517 1.460 30 10 IDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN(CCOC)CCOC)cc1=O 1870388485 YWHRVGVPTLJICB-UHFFFAOYSA-N 439.534 1.203 30 10 IDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCC(N(C)C)CC1 1870542232 OKXSNCIAZOAZBH-FQEVSTJZSA-N 432.565 1.234 30 10 IDEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873596247 NYKPQBGNAXCUHJ-UHFFFAOYSA-N 428.537 1.602 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874434253 VWNCVGIMMKYBSU-NGYBGAFCSA-N 426.842 1.623 30 10 IDEE C#CCOC1CN(C(=O)C[C@@H]2Cn3c(nc4c(cnn4-c4cccc(C)c4)c3=O)S2)C1 1891738693 OJKBGOBYWRROKZ-QGZVFWFLSA-N 435.509 1.616 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1908172919 YQZLKIHBWJNCLP-OAGGEKHMSA-N 440.541 1.918 30 10 IDEE C#CCCN1CCC[C@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2204041916 SQGZZPDHQXSVGQ-HRAATJIYSA-N 435.521 1.418 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255378777 DIQNDASXULIMTL-HNNXBMFYSA-N 431.342 1.941 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)[C@H]1CO 2255597557 KBMAJMIXBOFPGU-CUSZFKRNSA-N 434.342 1.601 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255643004 OIOLTKLIFQLPDX-OAHLLOKOSA-N 432.330 1.905 30 10 IDEE C[C@@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255948584 MXLUXZNRBSSEFV-INIZCTEOSA-N 449.382 1.681 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCN1Cc1ccccc1 2255949156 VAHPHKZGIRXSOC-KRWDZBQOSA-N 446.382 1.272 30 10 IDEE Cn1ncc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267004718 AUOIGJZSQCICPW-UHFFFAOYSA-N 446.357 1.943 30 10 IDEE C[C@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[S@@](C)=O 2267353672 MJTHBDQDJOVIBC-MXUQEVIESA-N 427.806 1.746 30 10 IDEE Cc1nn(C)c(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2267523045 XDQISNTUVHTGIQ-ZIAGYGMSSA-N 446.357 1.623 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2312859994 UHVIFGMTPGKJMR-KFWWJZLASA-N 440.346 1.460 30 10 IDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320556778 ZVYABSLZYVRESN-UONOGXRCSA-N 438.309 1.738 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)c1=O 2321656293 VXINJTPGCUFLNH-UHFFFAOYSA-N 435.849 1.748 30 10 IDEE COc1[nH]c(=N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786633 OJYSQWWUHQJVKR-JKSUJKDBSA-N 449.357 1.905 30 10 IDEE CS(=O)(=O)C1(C#C[C@@]2(OCC(=O)O)CCN(C(=O)OCc3ccccc3)C2)CCC1 2367784634 BVSROEIXNQKCQX-HXUWFJFHSA-N 435.498 1.840 30 10 IDEE CCOc1ccc(NC(=O)CS(=O)(=O)[C@H](CC)C(=O)Nc2c(C#N)cnn2C)cc1 16893831 ZMBBHHMDCNCSDG-MRXNPFEDSA-N 433.490 1.461 30 10 IDEE NC(=S)NN=Cc1cc(I)c(O)c(I)c1 254481481 URUZIJZUGSVSRZ-UHFFFAOYSA-N 447.039 1.769 30 10 IDEE C=CC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 410063672 AQVDCUOBQSVEAX-NEPJUHHUSA-N 437.381 1.965 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC4(CCOCC4)c4ccccc43)n2)cc1 434542479 LUVKJFHUMKNCBD-UHFFFAOYSA-N 442.479 2.232 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 460948482 WQSMWZLFLCLPHN-LSDHHAIUSA-N 434.570 1.775 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(CN3CCCC3)on2)CC1 461734915 FOAQYRHWLJIVDN-UHFFFAOYSA-N 429.502 1.289 30 10 IDEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 464543548 AVPQZLJRYBSCFE-DKSSEZFCSA-N 430.530 1.084 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1Cl 472197279 ONOBVAOGHDMTPX-UHFFFAOYSA-N 437.909 1.551 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 481599128 WFRLHVQAEWNGES-IBGZPJMESA-N 431.489 1.821 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)CC2)c1 513606009 GTZAAGRPAQMSGE-UHFFFAOYSA-N 436.491 1.704 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](C(=O)N3CCCC3)C2)CC1 537250167 YCJWNYUXZQDAFU-UNMCSNQZSA-N 441.551 1.869 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(C)C)c2=O)c1 538497550 AQLPBEBGVJFPLY-UHFFFAOYSA-N 440.569 1.840 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@H]2CCCO2)CC1 549910749 LDFZJLKZPUIGTN-QZTJIDSGSA-N 425.493 1.138 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)CC1 551309054 QWAYSLRXXJEICK-UHFFFAOYSA-N 428.518 1.307 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCc1ccccc1 559004035 KAIUOYBQUSYKNR-IBGZPJMESA-N 449.577 1.840 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@@H]2CCCCO2)cc1 570989869 RNKDPITZGCMZBW-CTNGQTDRSA-N 438.532 1.819 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 578303978 HHURRWDNGQYOHM-HZPDHXFCSA-N 449.581 1.585 30 10 IDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 727414746 AINXBFCNLBROMA-UHFFFAOYSA-N 435.505 1.221 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1C 732648323 SDEKVCGNTMBFPA-FQEVSTJZSA-N 430.574 1.903 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 735068464 CEXIBJYRFVJLJD-KRWDZBQOSA-N 428.558 1.814 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c(C)s1 742396725 CQPMYBLBUHXNJQ-UHFFFAOYSA-N 440.572 1.395 30 10 IDEE COc1ccc(OC)c(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742572451 CXZKLJMTCHJUSP-AWEZNQCLSA-N 431.514 1.880 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 746264345 FMHAZEUEUSJOHS-IAFNSTAXSA-N 436.390 1.843 30 10 IDEE COc1ccc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1C#N 746774849 DDLYQJRVVDTEHQ-KRWDZBQOSA-N 434.452 1.773 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2I)CCN1C1CC1 750256757 QXKNFSGZJZKLNR-GFCCVEGCSA-N 442.232 1.568 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753360669 VNTBLOOYWAXHSR-UHFFFAOYSA-N 443.525 1.323 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 767678103 CCTSYNKDMQDFJO-YMXMSLLWSA-N 445.541 1.853 30 10 IDEE C[C@@H]1COCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 769250535 BZGRCFSCTCVINC-CABCVRRESA-N 428.445 1.671 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCC(C)(C)O 774286861 QVQOELUTZUYRDR-KRWDZBQOSA-N 436.578 1.856 30 10 IDEE N#Cc1ccc(C2(C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CC2)cc1 781394756 ORNMMYPTHNCFMU-OALUTQOASA-N 446.525 1.328 30 10 IDEE Cn1nnc(CN2C(=O)[C@H](CC(=O)NCC(F)(F)F)SC2=Nc2ccc(F)cc2)n1 782883277 GXMKUIDPZJWKPR-NSHDSACASA-N 445.402 1.550 30 10 IDEE CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 787499183 JGPZRKOEWDAIHB-UHFFFAOYSA-N 449.555 1.637 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2nccc3c(S(N)(=O)=O)cccc23)n1 788821129 YEFPSLWFKVECJT-UHFFFAOYSA-N 427.486 1.001 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@@H]2CCSC2)C1=O 790285989 VSOMPECBYDGPJO-OJTMHJDUSA-N 449.646 1.745 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 790861885 JJOVSCQICRQEBE-DJWKRKHSSA-N 438.387 1.850 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 799837646 XHJJPLXRTPDIJM-NCELDCMTSA-N 445.545 1.884 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CSC2(C)C)cn1 802719779 ACYGEQUBNHHHDD-CABCVRRESA-N 438.623 1.796 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 803522230 AYLDKRHPGQCUJN-LJQANCHMSA-N 429.542 1.630 30 10 IDEE C=CCOC[C@@H]1NC(=O)N(C2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O 812347063 HDEKOUNWFYFFGA-ABHNRTSZSA-N 436.553 1.973 30 10 IDEE COc1cccc(NC(=O)CN(C)C(=O)COC(=O)[C@@H](C)Oc2ccccc2C#N)c1 914679072 UMACTLJIZZMLDD-OAHLLOKOSA-N 425.441 1.974 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CC4(CCOCC4)CO3)C2=O)cc1 1132390936 UYJYAAVEXXSQBC-ZWKOTPCHSA-N 426.473 1.465 30 10 IDEE CN(C)CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1137205371 YUBMZUOINVJVCC-IRXDYDNUSA-N 444.598 1.541 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 1149175636 BNXLAPFENNQYDN-INIZCTEOSA-N 436.534 1.553 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)C2)nc1 1178460815 SJSCDGGLQWCRAH-QGZVFWFLSA-N 425.514 1.806 30 10 IDEE N#C[C@]12CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1248616381 XKYFDZBNVMHMOG-PZSREKOKSA-N 440.319 1.852 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2cc(O)ncn2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1256150165 SYTMZBVJDDFXEQ-INIZCTEOSA-N 444.536 1.805 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2cccc(C#N)c2Br)[C@H]1c1nccn1C 1276488409 KIWZDDWTZPKJHH-HOTGVXAUSA-N 432.278 1.981 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1 1286298968 RPZKLIOVPRCKJZ-AWEZNQCLSA-N 429.529 1.422 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CC 1286418853 RFUINHBDWWRBEW-QFIPXVFZSA-N 443.573 1.819 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1286431481 WFRBVQVWCWFAKS-NRFANRHFSA-N 444.539 1.863 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nccs2)CC1 1286488913 YAUHDCJPKAJOON-OAHLLOKOSA-N 432.550 1.473 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1286493893 HSNTUGAPFANLEN-UHFFFAOYSA-N 445.618 1.659 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1286815869 BOCAULORVJJEGU-QGZVFWFLSA-N 434.566 1.098 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1286850461 GEIGRWKUIZRWLP-HSZRJFAPSA-N 435.532 1.777 30 10 IDEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)n1 1298865771 FQXXJXMZZYPCQR-QGZVFWFLSA-N 440.533 1.397 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1300309587 HXPKZLLNRLUVJL-HUUCEWRRSA-N 430.513 1.221 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1300494974 AQPRTQPCEQTBRA-SJORKVTESA-N 447.561 1.706 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1300631934 YKZTWTWJEXLMFF-SFHVURJKSA-N 433.534 1.019 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1300698718 YVUUWNHFITUXRB-WOJBJXKFSA-N 439.539 1.426 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCOC)CC2)CC1 1301086531 KWECLFNUYPVYRW-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1301239294 MJEFZWFDDANHFF-UHFFFAOYSA-N 441.492 1.597 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CCOCCCO)cc1 1302991549 IXQSRTIYDLZFMS-HXUWFJFHSA-N 437.504 1.318 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CCc2ccccc2)nnc1N1CCCOCC1 1303096851 VQSBVSRTKFTKIN-DQRAZIAOSA-N 436.516 1.816 30 10 IDEE C#Cc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)cc1 1304802634 QJNTXUORIXNAAW-QTXHJTIISA-N 446.550 2.000 30 10 IDEE N#Cc1cn(CCNC(=O)Nc2ccc(Br)c3ncccc23)c(=O)nc1O 1311004553 HVYZJIIREXPXEY-UHFFFAOYSA-N 429.234 1.953 30 10 IDEE COc1ccccc1-c1nnc(N2CCOC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1315608360 GYRAHETWFJROMA-APFMSCDFSA-N 438.488 1.705 30 10 IDEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1315879792 PHJXZQPYPYIOIV-UHFFFAOYSA-N 437.460 1.238 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1Cc1ccc(C#N)o1 1316200548 MQZHCFPTEUWBQU-MRXNPFEDSA-N 442.520 1.964 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCO[C@@H]2CCOC2)CCO1 1316539889 HANOPRQZBPGEDQ-IAGOWNOFSA-N 431.468 1.921 30 10 IDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1320187184 QBOKZRHBXONWBP-KRWDZBQOSA-N 439.534 1.915 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)cc1 1354942644 MDKHAKYGJBUQHD-RWZYYMRUSA-N 445.538 1.745 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1C[C@H](N1CCOCC1)C(F)(F)F 1358874525 YCLPRESNAXBGMY-XHSDSOJGSA-N 433.475 1.723 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359000399 UQRMIRQNGYRKOL-BBWFWOEESA-N 440.614 1.236 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359118361 DJLABUPHENEZBK-FQEVSTJZSA-N 431.518 1.956 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCOC)CC1 1359154771 BIMFKVGCGUASQT-UHFFFAOYSA-N 435.960 1.871 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1359300012 RLRDDDWRZVHIOS-LJQANCHMSA-N 437.548 1.162 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CCC)C1 1359303879 DIGBANCVOVEDPZ-HNNXBMFYSA-N 432.550 1.577 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCCCO2)C1 1359313095 GNMQOUDLYRPCAS-GVDBMIGSSA-N 427.571 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1359330318 OBRRSAYKKWJOIC-UHFFFAOYSA-N 449.508 1.764 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1360295862 QBHRBIRZKUMNAT-HKUYNNGSSA-N 437.548 1.926 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1N(C)CCCC1(C)C 1360671401 FKGCKWBXNIBIAK-WBVHZDCISA-N 437.614 1.749 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1 1441691234 OCOAUWTZSYGWAW-UHFFFAOYSA-N 428.510 1.881 30 10 IDEE Cc1ccc(C(=O)N2CCC(C(=O)NCCCO)CC2)cc1B1OC(C)(C)C(C)(C)O1 1445943686 MUSHNMHGCBVKRW-UHFFFAOYSA-N 430.354 1.645 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)n1 1448860594 RGPYXQLKLGVGAK-HKUYNNGSSA-N 425.407 1.302 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@](C)(C#N)C3)CC2)cc1 1453891692 OOWDXQZGHBLRDE-OAQYLSRUSA-N 448.545 1.070 30 10 IDEE C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CCCc2ccccc21 1456267982 OFJORTZFJMXHFZ-IIBYNOLFSA-N 439.537 1.992 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCOC2=O)CC1 1470463234 LFIBRSVGSZQWQQ-UHFFFAOYSA-N 448.545 1.729 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NOc2cccc(C#N)c2)cc1 1471085487 FKZQLVGCFDNRPA-YLJYHZDGSA-N 429.498 1.916 30 10 IDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1475908511 DLSIUSSXFIPMDP-FQEVSTJZSA-N 438.532 1.817 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(CC(F)F)CC3)n2Cc2ccc(C#N)o2)CCOC1 1502722083 KTEXKBGZCXYXPK-FQEVSTJZSA-N 436.463 1.830 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc(C)s1 1503713467 DNNLQBQEHSHVOJ-CYBMUJFWSA-N 440.533 1.755 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNc1ccccn1 1505083311 XKQVNDVHUAAHHQ-LNLFQRSKSA-N 427.509 1.628 30 10 IDEE NC(=O)C[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505337073 UPFJNVDNGHMAOE-BLRPHQBRSA-N 449.515 1.563 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCO)c(OC)c1 1507511959 BADOIEUFSWFGAA-MRXNPFEDSA-N 427.505 1.400 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507635532 WWETYJTXTBRLQD-QGZVFWFLSA-N 449.621 1.800 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507637035 GFHSOXJXIBXVFS-VQTJNVASSA-N 443.573 1.871 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1507643987 YFBLOVZTFIJHSN-LJQANCHMSA-N 429.322 1.597 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1507964962 NTQXQSOSLNRROV-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)C1 1508131666 OOIKYXSHCNYWMB-KRWDZBQOSA-N 447.561 1.572 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1508161331 ZLOCPQYJKNJDDD-QGZVFWFLSA-N 431.566 1.767 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1509954666 QRGQWEWGHYXDJX-OAHLLOKOSA-N 437.508 1.728 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1511264363 OZWYUJOBHZUALB-XOMICKMZSA-N 449.515 1.447 30 10 IDEE Cc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1511775074 GWDRESIEOZAXKJ-NYFQZCOISA-N 428.518 1.487 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CCC#N)CC1CC1 1517429604 CBWWEJZPZYFPEX-UHFFFAOYSA-N 448.535 1.823 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1519162955 IMYXLVYYNOJISO-LLGFUMIMSA-N 432.525 1.324 30 10 IDEE COCCOCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1519409634 CHFKQTQVVOOUED-UHFFFAOYSA-N 430.557 1.479 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1539201632 BDNKJUJRMMVDGZ-IERDGZPVSA-N 433.578 1.213 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1539265440 FZWCXLKPTJAVTB-MRXNPFEDSA-N 445.511 1.527 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539626186 BHRZJGBDWQPCPR-XLIONFOSSA-N 427.553 1.465 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1539721708 DQMNGZCYYOHONT-UHFFFAOYSA-N 449.519 1.635 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1540019263 FJUXWZFUXMWAMD-UHFFFAOYSA-N 445.593 1.886 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1540870590 QUJKFDZAVBOTBU-NVXWUHKLSA-N 444.540 1.397 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCOC2)C1 1540885767 OYDQVWHZQXWAEU-LAUBAEHRSA-N 448.545 1.281 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)C)c1 1542173196 BLDLHZOLTPEURD-LJQANCHMSA-N 426.521 1.975 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccnn3[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1545028879 LNIWBSDBKURZCL-CQSZACIVSA-N 429.506 1.884 30 10 IDEE C#CCN(CC(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1557095942 HLLZZBQNLKJJAE-UHFFFAOYSA-N 425.526 1.735 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2n1CCN(C)C2=O 1558348284 MEACJXZIVJJEHZ-GFCCVEGCSA-N 426.905 1.358 30 10 IDEE C#CC1(O)CN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2OC)C1 1558691281 HQFPELVWCITTRA-UHFFFAOYSA-N 435.505 1.752 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](CO)C(=O)OCc3ccccc3)CC2=O)cc1Cl 1567184178 CQACCOHVSXPMCZ-VQIMIIECSA-N 441.871 1.785 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1587989850 PJKQPOZRFDAZQU-SFHVURJKSA-N 433.534 1.046 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588025169 UMJJHVOJQDKZFT-ZWKOTPCHSA-N 449.577 1.100 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1588050992 YTLNPHBKPVYWLK-OAHLLOKOSA-N 449.533 1.059 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2Nc2ccc(OCC)cc2)CC1 1588199263 LLUJFBBEJWLDEF-UHFFFAOYSA-N 443.529 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1588929603 DPRRCPBYIAAUBC-FZEVHQGJSA-N 449.621 1.685 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589089320 PZMRHCDJXLTEBA-LJQANCHMSA-N 440.573 1.458 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1593712070 RAMVGEPFWWQDCT-UHFFFAOYSA-N 428.537 1.840 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1594784447 ZXPGSTJLVUGRGT-UHFFFAOYSA-N 443.552 1.725 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595577055 HWBGSUDRCCPCCQ-PMACEKPBSA-N 441.532 1.852 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)N(C)C 1608584234 GGIOTZNTKXIYGC-GOSISDBHSA-N 438.580 1.560 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1611620163 CYALHKDXSCBUNI-PXNSSMCTSA-N 426.542 1.721 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1614979933 QMYSLUJQSLJPIH-UHFFFAOYSA-N 432.488 1.710 30 10 IDEE CCNC(=O)N1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1615969075 CAJIFNVCVFZVOP-YJBOKZPZSA-N 443.508 1.367 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1619017223 UVZVIZGYFQLUQR-LSDHHAIUSA-N 427.452 1.689 30 10 IDEE CO[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1OC 1620146754 JPVHHNOLAMHZRS-GXJOBIRDSA-N 432.525 1.243 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2SCC(F)F)CC1 1623137863 CLTSBOOIUOWJIM-UHFFFAOYSA-N 436.481 1.800 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnn3c(=O)cc[nH]c23)c1 1626104425 WFHCKIZMHASJLP-ULJHMMPZSA-N 442.501 1.868 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1626719679 ZSUZCOOOMRHOOD-INIZCTEOSA-N 428.489 1.399 30 10 IDEE N#C[C@@H]1CN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CCN1Cc1ccccc1 1628965636 WISJOOUOELBGNO-OAQYLSRUSA-N 434.496 1.606 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2CC)CC1 1632960475 GZMGXSDCNSIKOH-UHFFFAOYSA-N 435.937 1.314 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1633498046 AIHPCQQCKCCHMX-NRFANRHFSA-N 425.489 1.275 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1636771590 OJMWYHHOEXTLSC-NRFANRHFSA-N 432.473 1.903 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCCC2=O)CC1 1637985373 VARWALLCTBZTFU-INIZCTEOSA-N 432.546 1.509 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2n[nH]cc2N)C1 1640545241 NGPLRFJFCMJOTN-CJNGLKHVSA-N 430.534 1.605 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccn(-c3cccc(Br)c3)n2)c(=O)nc1O 1641033570 DTQLIRMHBDLKNN-UHFFFAOYSA-N 429.234 1.199 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1641573976 CBPSHENGNUTCGF-AAEUAGOBSA-N 425.359 1.504 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)nn1 1655733075 UDVXKWWAVWKWND-UHFFFAOYSA-N 433.259 1.631 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)ccc1C(F)(F)F 1656636897 AHYFFGOOTLNJTL-INIZCTEOSA-N 446.495 1.652 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC(O)(c3ccc(Br)cc3)C2)CC1 1659578579 NHSQEQYYJJTGGR-GOSISDBHSA-N 435.366 1.645 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OCCN(CC)CC)CC1 1666484614 MYBKNURPKOXWNW-UHFFFAOYSA-N 437.566 1.024 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 1682400977 BWIAXNNSNMMCMF-OAHLLOKOSA-N 428.480 1.802 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 1683562902 GWEWZZARVXSVCN-DLBZAZTESA-N 444.561 1.384 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1689946524 ROPVHXAPPSQMDG-HUUCEWRRSA-N 442.586 1.603 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1690049861 KTELDLKURWGNRC-UHFFFAOYSA-N 426.542 1.918 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC)CC1 1690150470 JBSYLMLHCZJYBG-UHFFFAOYSA-N 435.532 1.519 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1690206472 SBICVGUFXUOHCV-LAUBAEHRSA-N 433.578 1.575 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN(CC)S(C)(=O)=O 1690210793 LNSVYXHQOSSEPG-HXUWFJFHSA-N 436.582 1.064 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1690596824 BCIBCVBFTTXHFB-LJQANCHMSA-N 447.561 1.846 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690659187 MHUKODPXTSWVRC-JSGCOSHPSA-N 446.474 1.655 30 10 IDEE Cc1ccc(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1693114346 OLCZXEIXVHVIEZ-YGCDDZCOSA-N 435.488 1.832 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1695605075 PBUGYLCKKUIFBH-INIZCTEOSA-N 427.509 1.879 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(CC#N)CC1 1697025383 HHPJGAHZPIOTGV-UHFFFAOYSA-N 432.550 1.845 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1698170363 KZFBPJLBGYVGGD-JXFKEZNVSA-N 427.505 1.852 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1705534218 BYYADTIOXQATLE-IRXDYDNUSA-N 447.536 1.999 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705563995 JDNUZTXHHJVZGA-GOSISDBHSA-N 443.573 1.795 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(F)c2)CC1 1705638666 RWUCLPAIOBTQFF-SFHVURJKSA-N 426.496 1.375 30 10 IDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1705839203 RCKQACQKALCVCA-XUTLUUPISA-N 436.472 1.865 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(S(=O)(=O)NC)c1 1705848618 YNCRZQPMUHFQJS-WMZOPIPTSA-N 435.550 1.581 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1705867267 KTCBDVZFFLQYLQ-OALUTQOASA-N 443.596 1.247 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)C(C)(C)C1 1705904466 QABWLLBWPXNYHS-MSOLQXFVSA-N 427.505 1.954 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705964504 LOSGGXYDQOPATG-QBEKEKFNSA-N 441.536 1.062 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(N(C)C)cc1 1706871727 RJSFNVXKBOHPOH-MGPUTAFESA-N 449.556 1.639 30 10 IDEE CCOC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1710353295 JAUWLIIFTRRJJI-UHFFFAOYSA-N 443.508 1.986 30 10 IDEE CN(C)CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1711015259 UWRIUQYQELGQOR-UYAOXDASSA-N 426.521 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)COC)CC1 1722443516 KPWLJBZFYCPSJA-HSZRJFAPSA-N 447.580 1.569 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722445016 RTXNDVZTMQXPDX-FQEVSTJZSA-N 430.597 1.724 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722593000 FCRDJBDJQGMGBX-MRXNPFEDSA-N 429.529 1.067 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722700206 AJRUTTYERMEFRX-GAJHUEQPSA-N 441.532 1.564 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1722701258 KXALFGIIDTZRCH-UHFFFAOYSA-N 425.493 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722702947 RRUIYHWETBLPAP-LJQANCHMSA-N 442.568 1.229 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1729556415 DVBWTERLVQOLMA-RXVVDRJESA-N 445.545 1.636 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1729588567 AJUPLKSDTDSPKD-GOSISDBHSA-N 435.488 1.538 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)OC 1730464231 NFSHYPUSCMJOLD-UWJYYQICSA-N 426.477 1.509 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730488350 MCKZQSLDHRHYNB-ROUUACIJSA-N 429.500 1.750 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1730762389 FUMXMHFOWUPXRY-RBUKOAKNSA-N 442.568 1.941 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCn2cnnn2)cc1 1731184438 NDCLEDULWBLAFV-UHFFFAOYSA-N 446.441 1.578 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ncccc2F)CC1 1740699132 VJYPYBUSGKCODS-UHFFFAOYSA-N 438.511 1.508 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(=O)NCC)CCC1 1740725713 UBGFYRQHGLAINL-HNAYVOBHSA-N 436.582 1.187 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740963838 YNQHOJZWDJPGSY-JOCHJYFZSA-N 443.552 1.216 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740964564 QVMNAWSVIDIBKL-MSOLQXFVSA-N 442.495 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740989138 AXFNOEDHJQTOOQ-OAQYLSRUSA-N 445.545 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740990671 COQXFXXHBXZKNL-JKSUJKDBSA-N 441.554 1.397 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)CCOC1 1741732806 QEGPIXXRVMAEJM-LAUBAEHRSA-N 432.525 1.106 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cs1 1742577672 MWYWYOUIMKMSPD-SFHVURJKSA-N 438.554 1.901 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCS1(=O)=O 1748875194 MPUKWXUQNCXZDL-SFHVURJKSA-N 433.578 1.627 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2COCCC)CC1 1748989895 DJVBBKPOYGTFMU-NRFANRHFSA-N 436.560 1.959 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCc2ccccc21 1749669437 KUUZBHIKSDOKLH-SJLPKXTDSA-N 429.546 1.606 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749671689 GQLZPCBLXUZXCX-QGZVFWFLSA-N 441.511 1.351 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1749680298 HVHLCMUMRYWFHE-UHFFFAOYSA-N 444.536 1.725 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1749703794 OXGMLSXMUGUFGG-SFHVURJKSA-N 430.534 1.537 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749728466 LQMVQWMKNSOSBY-HXUWFJFHSA-N 440.548 1.924 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1760117751 SUUQNXIARQIBHJ-DLBZAZTESA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1760190242 ZFQQIDNIKKQWEV-PMACEKPBSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1760218459 HAKLYLIESJYCNL-XMSQKQJNSA-N 432.590 1.974 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCn2cccn2)CC1 1760264099 BJBLUFJOJNZMND-UHFFFAOYSA-N 435.532 1.908 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760338325 PVRNICJVQKCUSM-LJQANCHMSA-N 440.548 1.838 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760525592 KZXPBDBTPRWEOI-SFHVURJKSA-N 436.520 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC(C)(C)C1 1760548764 ORQVLNOKLOUUJS-HUUCEWRRSA-N 447.627 1.362 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1760695331 FYECPJHLZFDJBE-ILXRZTDVSA-N 446.524 1.642 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCS(C)(=O)=O 1761035914 FDZVETVGWGGQPK-UHFFFAOYSA-N 434.541 1.859 30 10 IDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1769226678 GVUJSHRQEFNKJX-UZLBHIALSA-N 442.520 1.353 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1769619011 AESJKUXLXBCKKN-QGZVFWFLSA-N 436.520 1.854 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1772516696 GAOQQKNMOJLHGX-UHFFFAOYSA-N 449.964 1.865 30 10 IDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1 1852054623 AEFHLVORAFYSNN-KGLIPLIRSA-N 429.912 1.631 30 10 IDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)c1 1853622032 HLZIHCXOOYTEOH-UHFFFAOYSA-N 427.482 1.559 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)C(=O)[C@H]1C 1854312814 ORSBEOOOCQGFRF-APWZRJJASA-N 435.546 1.484 30 10 IDEE CC(=O)[C@@H](C(=O)N(C)C)N1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1(C)C 1854440207 PTPDUPUSHPCNKH-KRWDZBQOSA-N 432.908 1.515 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C(=O)C1 1854599037 FKJKDHCEKDTTAP-KRWDZBQOSA-N 435.546 1.343 30 10 IDEE N#CC1(c2ccccc2)CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)CC1 1855839901 KAEKHUJOFMAMJM-ZWKOTPCHSA-N 429.542 1.354 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCOCC3)C(=O)C23CCCC3)cc1 1856298451 LMEMPDKJUJAFAX-UHFFFAOYSA-N 431.514 1.657 30 10 IDEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCOCCO 1870232604 ATVQFRZHZGZYTI-UHFFFAOYSA-N 442.501 1.124 30 10 IDEE C=CCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870447345 LZKLEXIBRCTGNP-UHFFFAOYSA-N 427.501 1.917 30 10 IDEE C#CCn1ncc(N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)c(Br)c1=O 2106022381 RIBVXODDJNLQRJ-AAEUAGOBSA-N 427.299 1.591 30 10 IDEE C=CCn1ncc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2106092744 GRFMPUZTLRTPBX-AAEUAGOBSA-N 429.315 1.832 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)C1 2213497490 IFYPWIJVXUHURY-RBSFLKMASA-N 441.525 1.057 30 10 IDEE CC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243666901 DAVVYEGYRLYSMY-GOSISDBHSA-N 426.348 1.891 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2244369985 BKNKKPXFQBFSIJ-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254804785 HKKHSZIHUPVTCZ-ZIAGYGMSSA-N 437.321 1.984 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255661773 RFXQRBUXGWHIHR-GJZGRUSLSA-N 436.314 1.679 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC/C=C/CNC(=O)OC(C)(C)C 2255833551 FDRLVZHWPLKAKZ-ZHACJKMWSA-N 434.346 1.838 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CCOCc3ccccc3)CC2)n1 2255838494 HECZYTGEXKLICM-UHFFFAOYSA-N 426.326 1.984 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256925415 URZZOMLGJMGWGW-GOSISDBHSA-N 426.278 1.781 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256925546 UZTCWFJOMOCJJG-MRXNPFEDSA-N 427.266 1.176 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167660 JKAWSYVFLYNCFI-WCQYABFASA-N 442.247 1.447 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 2267182279 DOPUHXFJRKXSSG-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513726 XOHHBXZUCCOJRF-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)=C[C@H]1O 2268714822 MIXFMVOGLQYJKR-HZPDHXFCSA-N 445.325 1.904 30 10 IDEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1C#N 2286051023 YWCKAIBGQIGHPB-QGZVFWFLSA-N 428.426 1.551 30 10 IDEE Cc1nc(NC(=O)C#C[C@H](C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2318686988 BPDFXBNMRXLHIR-ZDUSSCGKSA-N 430.314 1.939 30 10 IDEE COc1[nH]c(=NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ccc1B1OC(C)(C)C(C)(C)O1 2339787087 VPDZCXVLILXMBD-OAHLLOKOSA-N 449.357 1.859 30 10 IDEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)cc1 20292373 VNQVQJPJCQADEG-ZVBGSRNCSA-N 441.473 1.783 30 10 IDEE N#CCC(=O)NC1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 169852186 NUMHQTVNLAEUNP-UHFFFAOYSA-N 433.262 1.066 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCc3ccccc3C2=O)CC1 468252971 VKAURLBQZYBEFI-UHFFFAOYSA-N 438.509 1.090 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN3c3ncnc4ccccc34)CC2)c1C#N 472988322 AIABSIVLJMFYEY-FQEVSTJZSA-N 430.516 1.861 30 10 IDEE CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 474206367 DHYZGWIJOVMOQF-UHFFFAOYSA-N 435.955 1.273 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1C1CC1 478854265 KVMNKMPEBKPZBU-UHFFFAOYSA-N 443.544 1.992 30 10 IDEE C=CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1nc(C(=O)OCC)cs1 501948239 LVDWJOWNLKIUMT-UHFFFAOYSA-N 429.458 1.098 30 10 IDEE Cc1ccc(NC(=O)[C@@H](C)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 506028285 RPJMYMBQKUYKOF-QGZVFWFLSA-N 434.562 1.969 30 10 IDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 522644598 BBHCVFQQZWAWJD-CQSZACIVSA-N 433.490 1.173 30 10 IDEE CSC[C@@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 574842529 IDHQPYKAELVDRT-OAHLLOKOSA-N 448.364 1.564 30 10 IDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 604460101 FMFZJVPFNOHXAQ-UHFFFAOYSA-N 429.484 1.688 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 608783053 YVKIDQAZTRRZNT-UHFFFAOYSA-N 448.505 1.063 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)/C=C/c2cccc(Br)c2)CC1 728590175 VHILDYXBXIAVRC-WUXMJOGZSA-N 426.336 1.117 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 729330722 IDFRZZPAKUHCHG-GOSISDBHSA-N 438.571 1.514 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1 729669158 ZFHPFNSFOMKNCF-UHFFFAOYSA-N 447.495 1.715 30 10 IDEE C[C@@H](OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)N(C)CCC#N 729689135 HRYBYDXEUXKHBV-LLVKDONJSA-N 436.262 1.739 30 10 IDEE COC[C@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730139007 PGGKTPQCYDKLEF-CRAIPNDOSA-N 431.562 1.840 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CC(=O)NC2CCCC2)C1=O 730142856 PTBMYGDCGLFUTM-GOSISDBHSA-N 445.589 1.745 30 10 IDEE CC(=O)N1CCC[C@H](COC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 766464123 RHBWSTGAMBRBNC-FUHWJXTLSA-N 435.546 1.942 30 10 IDEE C[C@H](CC(=O)NS(=O)(=O)c1cccc(F)c1F)/N=C1/NS(=O)(=O)c2ccccc21 775032152 LRZYCZGGIIHMBE-SNVBAGLBSA-N 443.453 1.287 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)n1 788333426 ZGXSNJWBIFHUAE-LJQANCHMSA-N 426.473 1.314 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCN(C(C)=O)C2)C1=O 794441752 VLZMYDJMEJNBDX-CRAIPNDOSA-N 427.530 1.884 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)cc1Br 800411141 FBMCRYOUAHAGSA-FJOVAFFXSA-N 433.283 1.453 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 809926652 OIABRKJZVPUMDL-OAHLLOKOSA-N 435.529 1.234 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N)c1ccccn1 1084550355 LEDYIUONZATWHL-UHFFFAOYSA-N 427.450 1.862 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)C1 1138108718 SZFKPAAYTXOZFP-IRXDYDNUSA-N 444.488 1.245 30 10 IDEE Cn1cc(N2CC[C@@H](NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)cn1 1147410516 LKNLRJOOAHSSAY-MRXNPFEDSA-N 429.322 1.886 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CCO2)C1 1160315562 MSODRCANOKOBHF-QFIPXVFZSA-N 428.489 1.526 30 10 IDEE COCCOCCN1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1164160421 FLFBADLEKILHQZ-UHFFFAOYSA-N 426.311 1.507 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)C[C@H](C)O1 1253170041 YEZCBKFQKJFMAF-IRXDYDNUSA-N 427.571 1.142 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)ccc1OC 1265125285 JRMSSXAQBCKADA-YHYVQYDKSA-N 438.484 1.986 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1286322076 COMKDPHDWWWGMD-GOSISDBHSA-N 449.581 1.267 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1286390725 BMFVTUIOSJVVPH-QZTJIDSGSA-N 444.605 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC(OCC)C1 1286400625 CWITZSDIGLEQRI-UHFFFAOYSA-N 442.541 1.351 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286634158 WQFZXPFFDMVHDR-FQEVSTJZSA-N 446.943 1.707 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCn2ccnc21 1288817626 PPIHZJUPJROHQE-HOTGVXAUSA-N 446.581 1.792 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1290553000 DAJWXROXBORFGQ-SFHVURJKSA-N 439.545 1.839 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1291230746 IDGFIKWSGFTMBR-HMWBCQRISA-N 427.534 1.752 30 10 IDEE CC(C)N1C(=O)C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1c1ccc(Cl)c(F)c1 1295563146 RPEBPFBWSSTKAX-MAUKXSAKSA-N 447.854 1.480 30 10 IDEE CCN(CCC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1295796413 ATMTWDUAXDFFIX-LZICOFPGSA-N 427.509 1.382 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1296535253 DQHICRGYGBGIKE-DHIUTWEWSA-N 440.548 1.505 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1300380999 LOFNNYRLWPZCHM-GJYPPUQNSA-N 425.555 1.076 30 10 IDEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCCO)c1 1300388142 CDWBTBCWFZIQMO-IBGZPJMESA-N 426.521 1.529 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 1300485616 XOCZTPJCCANHJP-ZWKOTPCHSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1300501633 MLGMOZUVIMJKEP-ROUUACIJSA-N 431.587 1.644 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1300512713 LSTRHOQIUJFCKD-QHCPKHFHSA-N 429.565 1.502 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)CC1 1300700690 UNKPCLPIBUJLFI-IBGZPJMESA-N 448.637 1.200 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1300761335 BCDQOEDXUVWKJN-ROUUACIJSA-N 443.529 1.108 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1300990893 NGGQFIABKXNMMX-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1301223354 STICIYJOFIZMOX-FXAWDEMLSA-N 441.598 1.973 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1301270087 CAFGPHRCOPYRKH-YJBOKZPZSA-N 433.475 1.816 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1301422741 VOUPCOAHNRWKFS-UHFFFAOYSA-N 439.520 1.402 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1c(O)nc2ccccc21 1301423960 FWQZIIMDJWZQRJ-INIZCTEOSA-N 425.493 1.624 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301514277 IJAJZWSNNOZQOG-MSOLQXFVSA-N 438.532 1.437 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)C1 1301555796 DKUZXMKBWIMFJX-QZTJIDSGSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)CC(N)=O 1301575742 KBOROLUPMZRWLX-AWEZNQCLSA-N 431.518 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCC2)CC1 1301593355 MRUUSOTXPUAKCD-UHFFFAOYSA-N 447.609 1.415 30 10 IDEE COCCN(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1301718178 CUPRATYHAVNDLI-PXNSSMCTSA-N 438.598 1.279 30 10 IDEE C#CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1303026108 KCYMGIKHFJDSFM-INIZCTEOSA-N 440.587 1.664 30 10 IDEE COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1S(=O)(=O)N(C)C 1303899075 LVHDDVBGUGHXIQ-KRWDZBQOSA-N 443.529 1.929 30 10 IDEE CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)c1C#N 1304148306 HBKIIJSMZWETTH-LBPRGKRZSA-N 426.502 1.361 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1305753900 ATTQTWCYPPJKRZ-OAQYLSRUSA-N 435.548 1.749 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1314030470 CTIXIDHWZSOISQ-ZWKOTPCHSA-N 437.504 1.810 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1315909656 BZANROFSKDSRLS-KRWDZBQOSA-N 445.545 1.229 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1319886555 WTBSEJQSAFJLCC-LBPRGKRZSA-N 426.454 1.980 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358960483 FRNUNHBAWVXZMD-CQSZACIVSA-N 449.487 1.550 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)CC1 1359309723 CAZLIDOSENNIEH-LJQANCHMSA-N 440.548 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1359326798 JYWIWCJJLWMSDM-CYBMUJFWSA-N 437.488 1.796 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1360056154 AYTNXJSOCKYZGX-GOEBONIOSA-N 436.538 1.653 30 10 IDEE C#CCN1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1444337955 MEZXSCJCSGOFCP-KRWDZBQOSA-N 439.603 1.455 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)n[nH]2)c1C 1449339908 GFMJRYUABMWRBX-LHSJRXKWSA-N 425.493 1.669 30 10 IDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1451903236 LTAXTRGKGHRBRU-UHFFFAOYSA-N 431.470 1.023 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(O)nc(S)n3)CC2)cc1 1452719724 CPPOFZOBRPSSKF-UHFFFAOYSA-N 433.515 1.060 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3cc(C(=O)OC)ccc32)ccc1F 1460471971 NCABQKVGQVDZDG-UHFFFAOYSA-N 447.444 1.676 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1464928435 XSWUGMJARZVNMN-QMQLWVLYSA-N 438.484 1.678 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1 1465388436 LBZXSHISIHEVFN-GOSISDBHSA-N 426.498 1.258 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@H]3CCCCN(Cc4ccccc4)C3)C2)c(=O)nc1O 1470425334 LFUXFCHJSHTDPD-GOSISDBHSA-N 436.516 1.689 30 10 IDEE C#CCN(C(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C)[C@H]1CCS(=O)(=O)C1 1476720178 GXTDJCASPSPKFO-INIZCTEOSA-N 432.502 1.438 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1507626931 HMFDGYPYPLXRGH-INIZCTEOSA-N 435.937 1.361 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCOCC2(C)C)CC1 1507733951 OWKFWZKSQSZBIA-UHFFFAOYSA-N 430.597 1.652 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1)C1CC1 1507992691 HUAVNBYCHXFBQT-QZTJIDSGSA-N 436.626 1.361 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@H]1C 1508034949 YEYXPZMRJLXUHN-JTSKRJEESA-N 429.521 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1508080900 FTKIEYADSTXLAK-HZPDHXFCSA-N 443.552 1.935 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C)c(C)s2)C1 1508114166 JVVGKNBITHPHQE-DZGCQCFKSA-N 440.595 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccco2)C1 1508130069 GNRHDMJRHOWREF-QGZVFWFLSA-N 449.533 1.286 30 10 IDEE CC(C)C(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1508807370 XFUGXJZBOMTJFO-HXUWFJFHSA-N 447.540 1.874 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1512525563 AHOSPQMUCAGLTR-LHANULRTSA-N 427.553 1.775 30 10 IDEE COCCOC1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1519345918 XMZYXUOASCSMLT-IBGZPJMESA-N 442.520 1.205 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C2 1535802511 ZIOOGZSMKPIPHV-FFPNAKNESA-N 428.492 1.945 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1 1539011501 FRPMFRMPTWEWQA-INIZCTEOSA-N 430.503 1.769 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539132045 BNTPYLPCGGZJDT-LSDHHAIUSA-N 437.591 1.941 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539220926 WUVPDFATQVSKRT-SJORKVTESA-N 437.610 1.798 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1539225825 QFQHLZQBSKRHDN-IRXDYDNUSA-N 435.575 1.440 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1539265433 FZLUWPQQBSWERK-LJQANCHMSA-N 439.541 1.485 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1539307045 PIHXHXIGGHESKO-GOSISDBHSA-N 438.442 1.808 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1539390079 HYHURBZXGILRBA-HNNXBMFYSA-N 434.422 1.389 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@H]1COCCO1 1539416441 OFAXDWZCCLGUGK-PXNSSMCTSA-N 428.489 1.682 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)C2CCCCC2)CC1 1539459341 DZLUKFWUTDLMBJ-QHCPKHFHSA-N 428.581 1.487 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540036540 OPRPIJWWVOSDON-MSOLQXFVSA-N 446.552 1.879 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1557770290 VUDKFFQQIGSRBP-QGZVFWFLSA-N 430.482 1.662 30 10 IDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC(c2cccc(Cl)c2F)=NO1 1558642786 CZEFHTGCWIHJBA-UZCIPKQKSA-N 425.869 1.759 30 10 IDEE N#C[C@H]1COCCN1C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1565731282 AQZLUBDGGFZKTI-BTYIYWSLSA-N 448.479 1.520 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1570590937 ZDPRUEHTQCPENN-QGZVFWFLSA-N 448.541 1.988 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC(C)C 1587974877 DNQRVUYLLFENTO-UHFFFAOYSA-N 428.518 1.997 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1588090622 ZOHOTCODORSMBJ-VIZSFHNOSA-N 429.565 1.502 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C3CCCC3)c2-c2ccccc2)CC1 1588198872 BCRWBMOHGVZRAM-UHFFFAOYSA-N 441.557 1.891 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)c2sc(SCC)nc2C)CC1 1588198938 BTBYBGTZYMSXRT-AWEZNQCLSA-N 430.621 1.669 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1588385681 JHXWXEDXLKLHEE-LJQANCHMSA-N 449.552 1.842 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1588733676 YIENTNRBAGGLKN-SFHVURJKSA-N 425.537 1.165 30 10 IDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1589371962 SXRIFKJDSDHONP-HZPDHXFCSA-N 426.539 1.441 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2)C1 1595673603 IFXHODWOFXDMIR-YRISNDGFSA-N 449.577 1.577 30 10 IDEE COc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])cc1OC 1611772687 GCMHQNKPYNWMCR-UHFFFAOYSA-N 432.458 1.995 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613242551 XLYFESILXDVGHO-NVHPEQRVSA-N 441.536 1.519 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1620071066 BSSONVJKSFKAIZ-UHFFFAOYSA-N 449.515 1.526 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1620097955 NBAIITDYKVXJSR-JCXSCKIOSA-N 444.536 1.765 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cccc(NC(=O)C2CCC2)c1)c1cc[nH]n1 1624188372 JCSIGKBOKRNLID-UHFFFAOYSA-N 427.461 1.749 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)C1 1638397511 JNVTXGXTFZCGHA-MJGOQNOKSA-N 445.568 1.747 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)C1=O 1638999171 VDVFNQLCKSRUIB-INIZCTEOSA-N 444.463 1.047 30 10 IDEE COC(=O)c1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)s1 1639515818 CQKWOUNVPWBWTO-HNNXBMFYSA-N 426.454 1.928 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](CO)C1 1640800626 CIBIUPXOOHNMDH-IRXDYDNUSA-N 432.496 1.964 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)B(O)OCC2 1642941873 SCMZKTCGBXQIDX-GOSISDBHSA-N 441.318 1.183 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1644465938 MLQMMSBULHRTEC-KRWDZBQOSA-N 430.482 1.398 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 1663864200 PUOMRIWGJXUWFB-UHFFFAOYSA-N 446.765 1.421 30 10 IDEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1666425444 BMVAGFHUMXNWPZ-DOTOQJQBSA-N 441.575 1.972 30 10 IDEE N#Cc1ncn(CCNC(=O)NCc2c(Br)cncc2Br)n1 1672542051 GPQILYGWGOVBFT-UHFFFAOYSA-N 429.076 1.569 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)CCS2(=O)=O 1681994025 TVDFUJGJJDJYJL-XAUUPUKJSA-N 439.921 1.910 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)nn1 1683315065 GXHDSQLPOHPOKR-CVEARBPZSA-N 429.525 1.855 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC2)c1 1689873247 BXRSLPDULFBHPQ-GOSISDBHSA-N 436.516 1.493 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1689981834 CEGUWWZWHOMVDS-FGZHOGPDSA-N 441.601 1.778 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1689983469 CDDUESVZAZKWTP-IBGZPJMESA-N 442.541 1.927 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1690120295 PFSHWXTVFCIJHO-LJQANCHMSA-N 445.518 1.451 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690236337 LKQXYYXXZSDMEO-UHOSZYNNSA-N 443.552 1.709 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690471027 RUVLTKAFYOHSPE-ZDUSSCGKSA-N 431.522 1.389 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690485101 LQMVXSHHRYPPNA-NVXWUHKLSA-N 449.581 1.721 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)[C@H](C)C1 1690665365 AVTAGEGUMLFGKI-OAHLLOKOSA-N 433.944 1.453 30 10 IDEE C=CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690747058 RVGUWBOMYORSNV-UHFFFAOYSA-N 426.568 1.400 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@H]1C 1692764298 BYYXCFBHRGURPG-XFQAVAEZSA-N 446.577 1.947 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(C(=O)NC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694036161 KROAPVSHCFDWJV-LVHCJKAXSA-N 429.525 1.280 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C(F)(F)C12CCC2 1698061817 VLEHYBDIXWIXKD-CABCVRRESA-N 443.520 1.982 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1698251412 UKZGQPJUJORWKM-BXWFABGCSA-N 428.493 1.620 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)C2CC2)c1 1705505977 XAHZPSKKAZZWEM-HXUWFJFHSA-N 449.559 1.770 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705538034 BMKOVPXFJRFYAZ-UHFFFAOYSA-N 447.609 1.851 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705563054 PUFHPBLUFYFCPM-PKOBYXMFSA-N 430.530 1.759 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705567219 UVSKHJONZQPENS-AQNXPRMDSA-N 449.621 1.531 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705894483 AHEBRJJUOSNJKR-WJONJSRFSA-N 448.568 1.271 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705946379 GRQZMFXUBLAUGC-IXDOHACOSA-N 442.607 1.484 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1710688823 JTRAYPAAQCUCNE-BXWFABGCSA-N 440.545 1.461 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1710905448 GEPDXKCBSSFBEO-RAZKKESJSA-N 426.546 1.642 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@H](C)O1 1712283848 HRJYFGSZPGHIPJ-PXNSSMCTSA-N 441.532 1.988 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1722361012 DORQHJSRWCPSIW-IBGZPJMESA-N 427.530 1.868 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1cc[nH]n1 1722392321 KMJAPAKJISRGRS-UHFFFAOYSA-N 447.499 1.578 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(=O)OC)CC1 1722426730 AZWWUWNNCIVSNX-OALUTQOASA-N 449.552 1.567 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722438129 MWQDZHAMIKBFRE-GOSISDBHSA-N 435.507 1.512 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722627034 RELHTRWHEQFSNH-GOSISDBHSA-N 439.520 1.699 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1722672521 SLQLKKQXGMVOJV-SFHVURJKSA-N 439.582 1.606 30 10 IDEE C=CCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691648 XJJABKMQTJYFNT-IXDOHACOSA-N 434.541 1.576 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722695247 XTJVRVAOSQXBRD-ZBFHGGJFSA-N 429.477 1.216 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722697183 XDVVZXJFGZGTGZ-IEBWSBKVSA-N 427.553 1.133 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1728358663 WHYAJAXSESTEGU-UHFFFAOYSA-N 427.553 1.980 30 10 IDEE CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1728554175 GOKZNOHFAFIALI-IWUFKXHHSA-N 427.553 1.676 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](CC)OC)CCOC1 1728798047 UDSFCEIQHYIVKZ-HTAPYJJXSA-N 442.520 1.890 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 1730762165 AUJWSSRDCROBEI-LJQANCHMSA-N 433.601 1.912 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1740793502 UCNKKKDHJIQNSI-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCc1ccco1 1744697182 KDXVHTWPBPOHJJ-HNNXBMFYSA-N 435.492 1.127 30 10 IDEE CN(CCc1cnccn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747903400 ZEYNMWFYQCTBRR-CQSZACIVSA-N 427.490 1.162 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748814968 MGLPWTXILKISJM-IEBWSBKVSA-N 435.594 1.283 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1748940052 DOYCXAUBNXYCDF-VQTJNVASSA-N 441.507 1.833 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)cc2OC)CC1 1748994669 MQRUZRAEGXXQEX-UHFFFAOYSA-N 442.951 1.866 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)CC1 1749027410 YEZRMYPQDCDXFQ-UHFFFAOYSA-N 443.573 1.851 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749097620 FOBAQCYCRWINSY-QWHCGFSZSA-N 441.330 1.853 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749460930 JTCPYHCKBCWRSJ-HUUCEWRRSA-N 447.517 1.976 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1749529623 JMECNAJXEPAVQS-KRWDZBQOSA-N 433.534 1.475 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1749590963 KDMLKPUQTQTELH-SJLPKXTDSA-N 447.561 1.882 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCC)CC1 1749668854 FSPBVLLLVCGQOK-SJORKVTESA-N 439.582 1.268 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749677385 XQKSPRKOMPLTBR-QGZVFWFLSA-N 444.605 1.922 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CCN(C)CC2)C1 1749708134 HYAOEXXYZGVGJR-IAGOWNOFSA-N 434.610 1.838 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CC1=O 1749873451 HAUKLHSMJSKQDH-UHFFFAOYSA-N 431.500 1.749 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC=CCO2)c1 1750193218 NSEMOZBGLJROPL-IAGOWNOFSA-N 429.502 1.422 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)NC2CC2)CCO1 1750386222 CDFKDNVQKUJMEO-AWEZNQCLSA-N 448.325 1.823 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1760131675 XPEFJJOTOOGINZ-IRXDYDNUSA-N 447.561 1.968 30 10 IDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760283349 KETOXIUJSYKQNL-SFHVURJKSA-N 440.573 1.652 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2cc(CO)nn2)CC1 1760383183 JPOVDZAEFNGLKU-OAQYLSRUSA-N 431.541 1.649 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1760526499 ASILKQACIJWOFN-UHFFFAOYSA-N 425.493 1.768 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1765436199 CUQAOTPPXIOWQC-NHCUHLMSSA-N 437.548 1.642 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1768526084 DMZXINJAKNDBQF-UHFFFAOYSA-N 449.537 1.027 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@H]1C 1772567221 NZIZYXASLRFAGX-SJORKVTESA-N 448.568 1.920 30 10 IDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772791229 PUFBXJQHZTVSJN-CJNGLKHVSA-N 431.489 1.967 30 10 IDEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCC(N4CCC(C#N)CC4)CC3)cnc21 1849045498 TZCARWYUJQKBRC-UHFFFAOYSA-N 439.564 1.965 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1 1850010120 IDNVYUFAJUCTGS-UHFFFAOYSA-N 431.558 1.165 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1F 1855037753 ICZJSMJJMCOUEK-KSSFIOAISA-N 436.509 1.071 30 10 IDEE CCn1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)c(C)n1 1856277976 DPIBRLACRPFKJB-INIZCTEOSA-N 426.546 1.704 30 10 IDEE CN1Cc2ccccc2C[C@@H]1C(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1856514584 NAJPJULXKCHABU-RBUKOAKNSA-N 427.482 1.463 30 10 IDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1856955514 NOCCJKAYOPSDOZ-INIZCTEOSA-N 430.940 1.957 30 10 IDEE C=CCOc1cn(CCN2CCOCC2)c(CN(CCO)Cc2ccccc2)cc1=O 1870386614 WYIZQJDBMNNPGP-UHFFFAOYSA-N 427.545 1.740 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988627851 SRBSCYARNYDUKK-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2064130313 MIYBPGQTNBDOHX-XHSDSOJGSA-N 440.346 1.268 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124543001 LYPLAHSQUQCJPD-OAHLLOKOSA-N 448.329 1.740 30 10 IDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2247953453 UIUKQDQZUYFRRE-UHFFFAOYSA-N 434.245 1.037 30 10 IDEE C=C(CS(=O)(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962223 LZKUFIMVVHCXOB-IBGZPJMESA-N 446.375 1.465 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255623217 KLNJIPAFIVDOMB-CQSZACIVSA-N 434.346 1.849 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255650526 ZTSIVXSTLPHNSR-AGGWBTHJSA-N 432.330 1.314 30 10 IDEE CCn1cc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255652544 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COCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN(C(=O)OC(C)(C)C)C1 2267600745 LSFXWALXCBWQNM-UHFFFAOYSA-N 449.357 1.690 30 10 IDEE CN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286032886 LWQNGDWSMRPSEQ-GOSISDBHSA-N 431.470 1.699 30 10 IDEE CC#CCN(CC(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1)C(=O)OC(C)(C)C 2300579191 XCEVJRFZUSXQLR-NRFANRHFSA-N 439.509 1.827 30 10 IDEE C[C@H](C#CC(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1)NC(=O)OC(C)(C)C 2318678223 VPANAKORHNEMBO-CYBMUJFWSA-N 447.454 1.277 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1CNC(=O)OC(C)(C)C 2337196253 IYXFHOXYNYDGHJ-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)c1ncc(I)s1 2365196119 JCFFRCGTDMGRBW-WCBMZHEXSA-N 428.317 1.196 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16519762 LDHXFPBOJFSRFK-INIZCTEOSA-N 449.533 1.632 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 24709800 XHDKTMUJUDDGCO-UHFFFAOYSA-N 432.340 1.066 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1cccc(C)c1 25938250 BWGDUMXCKRVWHS-OAHLLOKOSA-N 430.534 1.905 30 10 IDEE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 33386002 QNESWHQXLWIGAQ-LFIBNONCSA-N 429.571 1.704 30 10 IDEE Cc1csc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)n1 59887826 LZVJEDSCFFITTK-UBKPWBPPSA-N 435.539 1.552 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCSC 443565106 MBBYFPQAMVTKTE-UHFFFAOYSA-N 445.610 1.928 30 10 IDEE Cn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C(F)(F)F)n1 446288663 NGKGNPBGOOAIMQ-UHFFFAOYSA-N 442.423 1.849 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 447291638 YDFRBXTXRJMRKN-SFHVURJKSA-N 446.479 1.948 30 10 IDEE Cc1c(C#N)c(NC(=O)CCN2CCC[C@@H]2CS(N)(=O)=O)n(Cc2ccco2)c1C 472261358 RYNBWRAVGWEVFH-MRXNPFEDSA-N 433.534 1.699 30 10 IDEE N#Cc1cc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)ccn1 483107626 GFQBIEZNPLFNCD-UHFFFAOYSA-N 425.470 1.727 30 10 IDEE Cc1ccc2nc(CNC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[nH]c2c1 484105673 KSOYWUFHNFJWKH-SFHVURJKSA-N 430.468 1.277 30 10 IDEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(c2ncccc2C#N)CC1 486635426 ZMGJBRZPJOYAQB-NRFANRHFSA-N 434.475 1.970 30 10 IDEE N#Cc1c(CCCNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)nn(-c2ccc(F)cc2)c1N 503280696 FVELOAVNPHWPFS-ZJCOVKJDSA-N 431.471 1.841 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](c4ncc5n4CCCC5)C3)CC2)o1 503416184 PQRQFEGFDJJUNP-SFHVURJKSA-N 437.548 1.916 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 508956396 PKZRYPRKNWUERI-CTWPCTMYSA-N 432.569 1.369 30 10 IDEE C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1C[C@H]2CC[C@H]1C2 510312644 AQPKYCJJSSBZGE-CGBFIWBNSA-N 430.574 1.805 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccncc2N2CCCC2)CC1 541571170 IIPXRBVHMYGBGZ-UHFFFAOYSA-N 425.514 1.700 30 10 IDEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 544118911 IYKYAUOQWWCJJE-UHFFFAOYSA-N 430.442 1.764 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cnn(C)c4)n3Cc3ccccc3)CC2)c1C#N 555175149 FSFVCVBKMANVCF-UHFFFAOYSA-N 442.531 1.967 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccccc3OC(F)(F)F)CC2)nc1 563901175 DMVYKJDYLMBVAH-UHFFFAOYSA-N 433.390 1.817 30 10 IDEE N#CC1(CS(=O)(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CCCC1 572565843 MAKHMABBLUAFGR-MRXNPFEDSA-N 429.539 1.982 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 574968781 FJSYEQITTCXGIE-SFHVURJKSA-N 435.550 1.298 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 609026016 DNGHRFQSTNRNPU-MRXNPFEDSA-N 428.514 1.582 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 612836039 DJVWPOJBOUZSAT-KRWDZBQOSA-N 443.533 1.480 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669805040 BVBMPBNJVDEWGL-IBGZPJMESA-N 435.532 1.890 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cnn(CC)c1 729672630 YXDJBSIQDOIOIQ-HNNXBMFYSA-N 446.536 1.881 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 734292641 SUGQRCWALLKLAJ-MRXNPFEDSA-N 441.465 1.705 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CC(C)C)c2=O)cn1 735069205 NWVLFOIZVAQGLX-UHFFFAOYSA-N 439.541 1.585 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)sc(=Cc2ccnn2C)c1=O 758061500 FQSKUWUUKUYMES-UHFFFAOYSA-N 442.422 1.681 30 10 IDEE C#CCN(C(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[C@H]1CCS(=O)(=O)C1 760146208 VXENYRDREBKSIX-HNNXBMFYSA-N 439.534 1.181 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](NC(N)=O)C2)c1 762944926 CWXBAFZNUUGGQU-JRCVOMKHSA-N 436.538 1.554 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1-c1ccc(F)cc1 767956970 ZQVBAAOWZKUUMI-UHFFFAOYSA-N 441.484 1.514 30 10 IDEE CCN(CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 770801723 JJQCRYIYFVHTLF-MAUKXSAKSA-N 425.551 1.969 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)c1 771730433 HUGXVIOSIWBYDM-UHFFFAOYSA-N 432.454 1.389 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 782049600 VZVKXUMCESTDOK-JVMRMLDLSA-N 432.502 1.336 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)=NO1 798972741 GSMCGKGUJWHOGY-UONOGXRCSA-N 437.497 1.627 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 799087065 IIQFGVNVYFPQDJ-UZLBHIALSA-N 425.510 1.518 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@@H]1CCCO1 799934282 STUISDHFOIJUQW-HNNXBMFYSA-N 443.500 1.042 30 10 IDEE C#CCN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@H]1CCS(=O)(=O)C1 800746449 VKSWDRIAQWGUSY-HZMBPMFUSA-N 431.283 1.854 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801293266 JGVUWVYKIPZABD-NRFANRHFSA-N 437.500 1.933 30 10 IDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@H]2CCN(S(C)(=O)=O)C2)c1 803196843 OHAQJSDORWTPMI-INIZCTEOSA-N 442.570 1.840 30 10 IDEE Cc1cc(N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)cc(C#N)n1 804357428 AHVMDFIMRKJAET-UHFFFAOYSA-N 434.543 1.485 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(c3cc(OC)ncn3)CC2)CCCN1C(=O)OC(C)(C)C 809764714 HDCONIIVUMIKDL-QFIPXVFZSA-N 429.521 1.927 30 10 IDEE C=CCn1c(-c2ccccn2)nn(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1=S 811790663 MRFLBJPUYJBGEE-UHFFFAOYSA-N 437.595 1.434 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1F 914469108 BTUUFRIUTHCMKV-INIZCTEOSA-N 439.509 1.001 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1 915606029 VUOQHHVRAJAWCK-IRXDYDNUSA-N 442.541 1.537 30 10 IDEE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 918568257 HHCIFEBMOXLHKW-KRWDZBQOSA-N 442.497 1.363 30 10 IDEE CCn1c(CCC(=O)NCc2ccnc(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 1139856669 UFBBJJNOHFIZRE-UHFFFAOYSA-N 440.529 1.822 30 10 IDEE CCN1CCN(C(=O)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1161402836 ZTKLBTNWFJSWEQ-UHFFFAOYSA-N 434.338 1.037 30 10 IDEE O=C(CN1CCS(=O)(=O)[C@@H]2COCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1170997124 GMJTUQJMXKSORK-DLBZAZTESA-N 430.448 1.061 30 10 IDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCOCC1 1176262269 IYLFVGHDHAGMLM-UHFFFAOYSA-N 439.965 1.335 30 10 IDEE C#CCN1CCN(C(=O)CN2CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 1196185683 DEBHJNSDSJEAAD-DLBZAZTESA-N 446.514 1.789 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1196428965 APUDUJRYAHIHHY-NQIIRXRSSA-N 435.594 1.025 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)nn1 1230271484 GJQUFTYUAOMBPN-OAHLLOKOSA-N 435.529 1.027 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C 1266191260 YHRAVWOABWINRJ-NSHDSACASA-N 430.394 2.000 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286358597 MQGZRCONHFRHAS-QGZVFWFLSA-N 447.565 1.096 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C 1286458630 AAOJJGWFDBGIEL-INIZCTEOSA-N 447.609 1.583 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1286477205 RNELYCROTHTWEX-UHFFFAOYSA-N 440.552 1.747 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1286516672 KIPLAVGPIANRFY-MGPUTAFESA-N 446.581 1.247 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1286714140 LNDXCXTZRQZRRT-UHFFFAOYSA-N 446.577 1.921 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)n1 1286731382 KPEWNLBOIVWINO-PXNSSMCTSA-N 428.537 1.904 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1286806065 ABAJBVZBWGQXDG-LJQANCHMSA-N 449.552 1.825 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCC)C1 1286822593 GSBGREOQPYFGAJ-INIZCTEOSA-N 425.555 1.007 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1288528642 APBLKKLSXBFFSF-DZGCQCFKSA-N 429.550 1.923 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(C#N)o1 1288861553 AZOJWBZKQLIKIB-HNNXBMFYSA-N 447.565 1.466 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)n[nH]2)c1C 1296473087 YGYKJSNDMYHSRI-UHFFFAOYSA-N 433.520 1.952 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1(NC(=O)OC(C)(C)C)COC1 1300275230 RWBHIJYQUAFSAX-HZPDHXFCSA-N 437.541 1.754 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1300485368 ZMXPMLREQFYGGP-SFHVURJKSA-N 446.492 1.956 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300540928 GUROMCRBYJUQAU-GOSISDBHSA-N 432.450 1.600 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1300578222 JMAPZZZYONNFCY-SFHVURJKSA-N 439.541 1.672 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300591120 LIFZIJYWQFLEEK-QGZVFWFLSA-N 428.537 1.777 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1300708543 UDQXEDIRZMWDNH-UHFFFAOYSA-N 446.515 1.808 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nccc(C(F)F)n2)CC1 1300726309 MVAQZXQBZMDZCV-OAHLLOKOSA-N 445.474 1.524 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2(=O)=O)CC1 1301086826 ZSMHSMMHDSXMGX-JKSUJKDBSA-N 428.580 1.304 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNS(C)(=O)=O)CC1 1301119554 NKKDSRWFCZRIQN-UHFFFAOYSA-N 433.534 1.668 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301207571 ZPHXOIRTRCUQCC-MRXNPFEDSA-N 446.577 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1301586769 JESRUZVRNGBCDJ-INIZCTEOSA-N 425.599 1.818 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1303302301 HJRDNMAPEBBJEU-LJQANCHMSA-N 425.537 1.228 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1303488443 AOMCGZSILZEGOY-FXAWDEMLSA-N 437.566 1.493 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1314390910 PVDIRBBEJDEGHC-KRWDZBQOSA-N 438.536 1.323 30 10 IDEE CO[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1315189501 RXTOIZLVJVRIFK-GOSISDBHSA-N 439.520 1.720 30 10 IDEE COc1ncccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1315675927 CECMDEKLRREWJY-DYESRHJHSA-N 428.493 1.499 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1316253387 RLJHJGDTVIHZAB-CVDCTZTESA-N 440.548 1.373 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1O 1316479961 GVPIRUVOCWNTDN-QAPCUYQASA-N 429.546 1.849 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1351648801 NWUWYBXIINOYMK-QGZVFWFLSA-N 425.507 1.126 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1358948701 IXYGFFGCJRLRKD-UHFFFAOYSA-N 429.550 1.099 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1358960492 FXQXNTJSXHPFRW-OALUTQOASA-N 445.593 1.180 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358963313 GDCUMEOGPBRLDA-MRXNPFEDSA-N 449.543 1.988 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359059230 FXZAZNUPKHSHCV-NRFANRHFSA-N 438.601 1.946 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1359133752 YPYUPCORQPJKSQ-INIZCTEOSA-N 429.587 1.686 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)Cc2ccccc2)CC1 1359165561 RLMYQVNMLGKDHK-LJQANCHMSA-N 443.573 1.995 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(F)(F)C1 1359300737 JARNOGZUGQDAPV-UHFFFAOYSA-N 432.479 1.600 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359458605 PPHOJSBWKSTACC-OAHLLOKOSA-N 425.493 1.233 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1359616871 NIKOBPFQXHSRIC-UHFFFAOYSA-N 426.521 1.520 30 10 IDEE CC(C)CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1359962200 QRZUSFSMEZZJOS-DLBZAZTESA-N 425.555 1.362 30 10 IDEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1360793265 CGTDVZOXAARSEQ-JOCHJYFZSA-N 433.520 1.913 30 10 IDEE NC(=O)CC[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1439746284 VGBAUVFENOTEBW-HXUWFJFHSA-N 441.528 1.624 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)C1=O 1456711670 LQYYBEBBTSWXPC-UHFFFAOYSA-N 442.472 1.895 30 10 IDEE CN1C[C@H](C(=O)N2CCN(c3ccccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1464686363 KBVHPWFBINHSLO-GOSISDBHSA-N 427.505 1.285 30 10 IDEE COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc2c(c1)CCO2 1467362856 PXIMECGBZDFLPL-GOSISDBHSA-N 432.429 1.702 30 10 IDEE C[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1470624285 SDWQFOWBPCWWKT-OAHLLOKOSA-N 427.505 1.649 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1cc[nH]n1 1471518736 DEDAXDNFCIKSGF-QGZVFWFLSA-N 442.472 1.883 30 10 IDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478419912 HFWKTLIPQXSOKS-HZPDHXFCSA-N 428.411 1.635 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)CC2)c1 1478900358 BMADIQYAYMZHNZ-JTHBVZDNSA-N 427.549 1.048 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494251839 CGKPRXISTUCACB-RLBWVDARSA-N 433.472 1.568 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1502689451 ZEIWHDJRWUNKDD-BTYIYWSLSA-N 428.493 1.406 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503542490 LTORECFMNXLVNB-VFAFWLKOSA-N 430.509 1.314 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1507544594 YRTQZKKVYGJCFO-HUUCEWRRSA-N 435.575 1.552 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1507642726 MKBNAEKCPZYJMG-KRWDZBQOSA-N 441.561 1.005 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1CC 1507699803 KZFUUWQNICGZHW-UHFFFAOYSA-N 436.495 1.953 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1507739717 UUBPANJBWIJYFJ-XUVXKRRUSA-N 429.565 1.809 30 10 IDEE C#CCSCCn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507757939 DZNNSNDPJLAMLN-IYBDPMFKSA-N 448.593 1.694 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1507773524 SBCSQCJJDWHEPB-PGRDOPGGSA-N 441.557 1.514 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507810278 LENVDXMMKWNQDA-LNLFQRSKSA-N 441.598 1.561 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507903150 JHYSGEPBBUPNIG-RTBURBONSA-N 443.596 1.574 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1507984649 ZIYHMQVCTYPQTN-LJQANCHMSA-N 449.577 1.793 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1508121584 FMOVAKCGNOTJQE-RBUKOAKNSA-N 438.532 1.761 30 10 IDEE CCOC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1516054346 WYOPCVSTGUBVQR-KRWDZBQOSA-N 446.483 1.992 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1516849707 DECKSFLUCPUXND-HOTGVXAUSA-N 432.550 1.760 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1518478857 FNDPZKMVYMPDRK-HKUYNNGSSA-N 426.521 1.327 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1539432299 ZTOYQXBURNDLQU-KRWDZBQOSA-N 428.503 1.810 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539744063 CNJBUDNRBDFGRH-OALUTQOASA-N 442.568 1.947 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540859149 IYUDLGVMPLRVET-QGZVFWFLSA-N 443.577 1.810 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540875748 WTHZYXDBCAFYOC-SJORKVTESA-N 443.460 1.282 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540877022 IMDCWDDKPGLROQ-JKSUJKDBSA-N 434.541 1.925 30 10 IDEE CC(=O)NC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541045642 HEFQKLKMISRXAV-ZZEZOPTASA-N 427.509 1.177 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1COCCO1 1541470889 FGVBDZRTGGWDFK-IBGZPJMESA-N 425.537 1.875 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541513030 FLSCYBQHKBXOFQ-KRWDZBQOSA-N 448.597 1.726 30 10 IDEE C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CN1CCN(C)CC1 1542935609 GIDGSQHADOFSRV-NUXKCHKQSA-N 433.597 1.773 30 10 IDEE COc1ccc(CC(=O)NCc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)cc1 1545534223 AKXXKLFPTLQAEB-UHFFFAOYSA-N 434.496 1.752 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1554500878 IDSZFFAMMCEJFR-MRXNPFEDSA-N 439.501 1.025 30 10 IDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1557114142 JHKDBEMNLLCWRD-HNNXBMFYSA-N 445.497 1.523 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)cc1 1557550167 GWEKJRGHYONUKT-IBGZPJMESA-N 427.526 1.611 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1588074770 RGNSEZNCHQDDIU-SFHVURJKSA-N 437.610 1.563 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCn1cc([C@@H]2CCOC2)cn1 1588245801 RFOLXPHFLRUMSS-LJQANCHMSA-N 435.532 1.264 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1588993518 KJARHKBCXDVKJZ-UHFFFAOYSA-N 429.546 1.791 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1593690089 IJLKDXZRYVDRAT-UHFFFAOYSA-N 431.516 1.870 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593740766 FBDUSHXLZHYFCN-KRWDZBQOSA-N 427.571 1.584 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cnn(C)c2)CC1 1594097435 SXULHQROTBABIF-SFHVURJKSA-N 449.581 1.134 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1594448810 MVKHPROVQLXKAI-QGZVFWFLSA-N 445.612 1.808 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCS(=O)(=O)CC1 1594896305 VOIXERDWHXOZOC-UHFFFAOYSA-N 438.575 1.796 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)C1 1595475839 GRSZTQNQATXBIX-CQSZACIVSA-N 432.912 1.652 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1595715264 UNSSTPOFIBJCEA-MOPGFXCFSA-N 438.532 1.717 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1596375728 UTIWATLCTGKHSG-FQEVSTJZSA-N 436.488 1.230 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)c1ccc(COc3ccccc3C#N)o1)C2 1606788637 QRDVUAZORCOXMK-QGZVFWFLSA-N 434.456 1.743 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1610987959 SNQAFUJKFGEORV-HBMCJLEFSA-N 441.532 1.987 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)CC1 1615878584 ADWNUMVLBYMTLP-SFHVURJKSA-N 430.601 1.430 30 10 IDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C 1618976448 BLDRIFUJPCNBBX-PMACEKPBSA-N 426.521 1.829 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1620076990 BESCBBKHIVWOJS-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1620176468 DSUHVLKNLJAWMY-LJQANCHMSA-N 444.561 1.619 30 10 IDEE CC(C)(C)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1629485310 LSZPGTKBSQUDKP-GOSISDBHSA-N 432.546 1.428 30 10 IDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O)C(=O)OC 1629617007 DKFOVVSIWLKTDJ-KRWDZBQOSA-N 432.454 1.496 30 10 IDEE CN1C[C@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)N(C(=O)OC(C)(C)C)CC1=O 1631965017 VYHUSXFSWRLEAK-OPAMFIHVSA-N 427.505 1.543 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OC)(c3nccn3C)CC2)s1 1633683119 AXCREGQTZPJJQN-UHFFFAOYSA-N 438.575 1.653 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)cc1 1635085227 FIZWSZADEFMJNB-HNNXBMFYSA-N 433.511 1.398 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 1637405113 MRFVTQGXBYUHGU-KRWDZBQOSA-N 429.583 1.860 30 10 IDEE N#C[C@]12CN(C(=O)c3cc4cccc(C(F)(F)F)c4nc3O)C[C@H]1CS(=O)(=O)C2 1639822098 QZZRFIWLLOVATM-APPDUMDISA-N 425.388 1.970 30 10 IDEE C#CCN(C(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C1CCN(C)CC1 1645259103 HJXGSUPTURKDIR-UHFFFAOYSA-N 428.558 1.891 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 1650951517 HIBHSMRAMIUACN-UHFFFAOYSA-N 448.541 1.251 30 10 IDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1654098169 YDHZHCFXEVQLAP-KBXCAEBGSA-N 443.495 1.457 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)CC1 1655383785 DNPJAOJFXXRDDW-LJQANCHMSA-N 426.561 1.967 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1659524540 CADSHCQWJQKGMH-HDICACEKSA-N 449.573 1.720 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2N2CCC(C)CC2)CC1 1664962657 GJJHWGJQPGSNLD-UHFFFAOYSA-N 437.541 1.679 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1672022881 QHTOOSZSKQGJLJ-OLRZCDJHSA-N 440.547 1.055 30 10 IDEE C#CCOCCNC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1685865794 PYVJQGFOLVHGFF-ROUUACIJSA-N 449.552 1.213 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)Cc1ccccc1 1689824491 QWGSMJSRZFOEAY-KRWDZBQOSA-N 429.546 1.587 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@@H](C)C1 1689937084 NWMDCQMQLUHKIQ-KRWDZBQOSA-N 430.578 1.840 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1689988290 MEKISXUNTVTAMK-MRXNPFEDSA-N 435.937 1.910 30 10 IDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690290414 GOFBCNWFHGZNLI-LJQANCHMSA-N 446.577 1.471 30 10 IDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690303121 SAWKRPBNDVVXBW-HXUWFJFHSA-N 429.521 1.888 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690306704 BZOHQFZVCGZTJR-GOSISDBHSA-N 439.564 1.722 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN(C)S(=O)(=O)CC)CC1 1690384794 BORBJPCLZSUHSZ-ROUUACIJSA-N 441.598 1.830 30 10 IDEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1693046010 FAQZZKXPSJXGOA-NRFANRHFSA-N 441.513 1.904 30 10 IDEE CN(Cc1ccoc1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1696717473 CGHSVKHMSHEUTL-UHFFFAOYSA-N 430.490 1.507 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1705565867 XHCPIAJOBLAPFZ-KRWDZBQOSA-N 438.513 1.419 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1705634674 FTLXOILHVNNNAH-OALUTQOASA-N 433.553 1.301 30 10 IDEE CCc1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1709146291 GRFVTGPPHJURHE-GOSISDBHSA-N 436.516 1.915 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)C(C)(C)C 1710731689 CCTDWGTZKQFICI-UHFFFAOYSA-N 440.552 1.570 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1722298736 IERWMCWOMGDPDY-KRWDZBQOSA-N 432.546 1.563 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC)C1 1722392588 IYFGJXGVJYEIER-IBGZPJMESA-N 429.532 1.726 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1722417808 UNQLYMMXDGBYLM-GASCZTMLSA-N 425.555 1.553 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCn2ccnc2C)CC1 1722449354 PYIKZATVPPUXIY-UHFFFAOYSA-N 432.532 1.435 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1722467881 CXLABYBXJQCLLJ-TZIWHRDSSA-N 436.578 1.888 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1722511038 XYZQUKYLQIHMHQ-NSHGMRRFSA-N 433.553 1.796 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722529139 PLLUDXSYVDJQAT-CHWSQXEVSA-N 441.476 1.249 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1722730131 JNFGWPWEJKAFOJ-UHFFFAOYSA-N 445.593 1.728 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1722867282 FYMBKCITRWXURB-AEFFLSMTSA-N 444.561 1.435 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1723236311 HOOCOIIULCGYOK-LTCJTPMSSA-N 430.509 1.170 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CCO1 1723708313 GZDUHXJTLDUUOG-LJQANCHMSA-N 427.505 1.884 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1724017231 FCVAHDNTCYZSIM-JKSUJKDBSA-N 434.566 1.225 30 10 IDEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1724134577 UMDLXFTXJVOGNV-AEFFLSMTSA-N 447.565 1.118 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1729618886 CEABQEXPPJUBIO-HFXUHXBXSA-N 438.532 1.973 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC2(O)CC2)cc1 1731181016 KIPMFEQSZUAXDR-OAHLLOKOSA-N 434.422 1.846 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCCCO)CCO1 1731189585 MMQPJPXWJUPOFX-YJBOKZPZSA-N 431.518 1.635 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1740550463 IRTAVZQWXIKCLA-AEFFLSMTSA-N 436.564 1.825 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CCCO 1740664520 TXNMPJHNMVMPSR-IBGZPJMESA-N 445.589 1.655 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740719115 ZDTRBDMLVLTFKF-IRXDYDNUSA-N 438.561 1.525 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1740952198 XAAKSEOVDXSKOC-OAHLLOKOSA-N 438.540 1.167 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740955408 UAIRITBNQGGBRN-UONOGXRCSA-N 449.533 1.234 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OCCN2CCCC2)CC1 1740958006 GWTVVYQOXDGQGX-FQEVSTJZSA-N 446.596 1.903 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740990317 QLYPPNWICDHRPF-GOSISDBHSA-N 445.549 1.668 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1746280008 MQQQTMOVBFPPND-ROUUACIJSA-N 437.504 1.810 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCNC2=O)CC1 1748697413 HMVDCSIAJQWIRL-UHFFFAOYSA-N 429.569 1.994 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1748790800 MOMROQHEZODWNZ-MRXNPFEDSA-N 430.578 1.970 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748820746 IHVBMMVVMHEJSQ-RBUKOAKNSA-N 446.577 1.193 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1748830383 VHLKZGHNJKBQDR-XUZZJYLKSA-N 443.592 1.748 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCN(CC)CC1 1748842204 GXXVYUXTVSOJNR-UHFFFAOYSA-N 437.548 1.106 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1749020150 MYHFBMUNWZSFPM-UHFFFAOYSA-N 427.596 1.186 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1)OC 1749327607 IAWDIHAKVALUQP-PZJWPPBQSA-N 440.548 1.637 30 10 IDEE COC[C@@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749369969 IDYVCTDIQIEPCL-IBGZPJMESA-N 436.495 1.842 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749376519 LCMIFPGMTNENFW-DLBZAZTESA-N 430.484 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1749732576 ZFKXISFRKCJCAT-LSDHHAIUSA-N 443.520 1.702 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@]3(N(C)C)CCSC3)CC2)c1C#N 1751827322 ATRVKCQJNFEBEC-FQEVSTJZSA-N 429.598 1.264 30 10 IDEE Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1751955577 CXFGGJSPYDRNTR-CQSZACIVSA-N 430.490 1.934 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NC2CCCCC2)CC1 1760259483 MPCQRMXSOCFJRG-IBGZPJMESA-N 428.581 1.766 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1760261432 RGEYYJZJECVWOK-XMMPIXPASA-N 438.576 1.296 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1760262109 ZYIWXPNJLGQGET-NRFANRHFSA-N 449.603 1.676 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760273755 AYCIETZSHRMESC-JYJNAYRXSA-N 428.628 1.174 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1760406340 BAMRWZIWCUFJIC-MRXNPFEDSA-N 448.597 1.607 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1760527235 PQXUQAZLVJYYHC-INIZCTEOSA-N 442.568 1.922 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1760528071 RDEFSPNEECAJOH-HOTGVXAUSA-N 433.484 1.539 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNS(C)(=O)=O 1760734690 LAVNSWVQZVYHSJ-UHFFFAOYSA-N 446.581 1.108 30 10 IDEE CC(C)N(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1761165970 DEIVGGKNKUYZIN-UHFFFAOYSA-N 432.536 1.669 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1CCOCC1 1761221900 VUSMNHBNJXDNBC-UHFFFAOYSA-N 439.520 1.768 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763828222 RPEZWRWBWIRVOO-LKXKQSFQSA-N 441.536 1.280 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1766819530 LZRCDYFMRVRYHH-QQMHEVNUSA-N 437.504 1.872 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1768809387 NKJPELIMIOLAOM-AYAKEVCGSA-N 438.488 1.705 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1771292432 LKTCNDMUFQDUJK-HOTGVXAUSA-N 437.566 1.709 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCCCCO)CC2)c1 1771534013 KCAOVPROIKGCJE-IBGZPJMESA-N 425.537 1.928 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1)[C@H]1CCN(C)C1=O 1849167111 JMNNGZMRZUPOEX-OALUTQOASA-N 435.546 1.484 30 10 IDEE CC(C)C[C@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)N1C(=O)c2ccccc2C1=O 1849515700 UUDYVSURHJSYNJ-LJQANCHMSA-N 432.484 1.706 30 10 IDEE CC(C)(C)c1cc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nc2ncnn12 1851534767 JBDAIGHSCPSWLK-UHFFFAOYSA-N 434.504 1.667 30 10 IDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1 1851539461 FVICTVDHKBPNMI-UHFFFAOYSA-N 427.408 1.804 30 10 IDEE CCc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N=c4nc[nH]cc4C#N)CC3)CC2=O)cc1 1851984700 DFHPAAWOHRQPEY-GOSISDBHSA-N 446.511 1.563 30 10 IDEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1854037405 LFIUYPNQSKVDPB-UHFFFAOYSA-N 427.482 1.559 30 10 IDEE Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854419292 ZZNQHKBSHGBFFU-QGZVFWFLSA-N 433.530 1.908 30 10 IDEE N#CCCN1CCC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856966269 CDEFTAXYUJULSV-MRXNPFEDSA-N 430.530 1.874 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CC(Cn4cc(Cl)cn4)C3)CCC2=O)CC1=O 1857334756 IGIAOXWWLQYGAP-NVXWUHKLSA-N 433.940 1.268 30 10 IDEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCNS(C)(=O)=O 1860941261 ZIVGZHOQOJSLFN-QZTJIDSGSA-N 433.615 1.535 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@H]2c2ccc(O)c(O)c2)cc1 1862689300 NECRQVRXQGFIJG-IBGZPJMESA-N 426.425 1.821 30 10 IDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 1870155060 UKUMMAXVAWPGDT-UHFFFAOYSA-N 446.471 1.980 30 10 IDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1874273335 FMABEUJUZCFIMI-KHAGQWAKSA-N 430.534 1.861 30 10 IDEE CN(CC#CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 1890702390 YZDDTUIQPWVOFY-UHFFFAOYSA-N 441.553 1.573 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(C)(C)O 2085657004 OYORIXMKMWCLHB-HNNXBMFYSA-N 435.330 1.984 30 10 IDEE N#CC1(CS(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)CCOCC1 2174786018 FNEYOVONCRWOQZ-ROUUACIJSA-N 437.518 1.310 30 10 IDEE C#CCNC(=O)CNC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2188583499 ZCRYDAJOSGTEFJ-OAHLLOKOSA-N 438.322 1.751 30 10 IDEE C#CCN(CC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1)C(=O)OC(C)(C)C 2214631514 CUXXNWATTIKAMU-IKGGRYGDSA-N 437.537 1.543 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2247919138 PGGLQYWPLBHSHA-QWHCGFSZSA-N 439.343 1.152 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN2C(=O)OC(C)(C)C)C1 2255652995 CGAJUFJXVJCXHG-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255699333 OVHMTAQAWQKQOC-ASSNKEHSSA-N 430.314 1.515 30 10 IDEE CCn1cc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255807626 XCNUVNLWKAIROD-UHFFFAOYSA-N 436.318 1.483 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255819034 UROXHJDOIQBGNU-UHFFFAOYSA-N 434.346 1.920 30 10 IDEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267010238 RTPSLBYHSFPJOX-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)nc2)OC1(C)C 2267169552 ZEFGVCVIUUTKBO-KDURUIRLSA-N 434.349 1.980 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513728 XOHHBXZUCCOJRF-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)O 2269033520 ZOHNBPORCICBQY-QGZVFWFLSA-N 442.325 1.034 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2332922206 XOLUQANKRRPFCY-BRWVUGGUSA-N 448.325 1.265 30 10 IDEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14833775 NIVQTPDJNVGXLG-XCVCLJGOSA-N 437.934 1.829 30 10 IDEE COCCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 303431968 CJBYUMKYPCVTGT-SFHVURJKSA-N 446.491 1.699 30 10 IDEE CCOC(=O)[C@](C)(NCC(=O)NCc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 430266275 CKXWPWGYFKYZGR-JOCHJYFZSA-N 443.525 1.646 30 10 IDEE COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 435930261 WTBPCGVJLWZCGH-UHFFFAOYSA-N 430.324 1.579 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 440378020 FIKBNTQGQZQXAR-UHFFFAOYSA-N 430.489 1.798 30 10 IDEE COc1ccc(CCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 481112459 KAGUSLQORDAZNC-HNNXBMFYSA-N 431.514 1.991 30 10 IDEE COc1cccc(-c2nc(=NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)s[nH]2)c1 482175304 FUPKMKDGFZNRJQ-LBPRGKRZSA-N 443.510 1.813 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1 483579887 XSYYLOUEFPEQNF-WMLDXEAASA-N 444.517 1.419 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)c2ccnc(N3CCN(C)CC3)c2)cc(OC)c1OC 487701715 JJPKQPJUVWCLHO-QGZVFWFLSA-N 425.489 1.854 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 497576845 SZLHAZOMUWTQMG-UHFFFAOYSA-N 445.610 1.812 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 506696079 NRVIEDHHOROFOT-RDJZCZTQSA-N 427.548 1.212 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508870678 BCMBWRWQJCKTCW-GOSISDBHSA-N 439.516 1.978 30 10 IDEE Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc2c(c1)OCCO2 518799281 OPNCZEZVYRNFTP-UHFFFAOYSA-N 431.456 1.576 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 538390302 PSVYWXUAIQFERH-RBUKOAKNSA-N 442.589 1.881 30 10 IDEE COc1cc(C(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(OC)c1OC 544924067 AARWRRGBXQUQHE-UHFFFAOYSA-N 439.472 1.058 30 10 IDEE COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(C)C)c1=O 549550861 NJRJTZJAQVYEIR-UHFFFAOYSA-N 428.558 1.671 30 10 IDEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549724848 TYBLUQJIWFMKEU-UHFFFAOYSA-N 428.537 1.712 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 558508161 CGFRQNYQHMXVRS-UHFFFAOYSA-N 430.328 1.667 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCO3)CC2=O)cn1 559122716 IXMILJGDZGFONZ-IBGZPJMESA-N 432.488 1.582 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3CC(F)F)CC2)cc1 561386236 AFTHQUVIEDBLJI-MRXNPFEDSA-N 427.473 1.842 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)NC[C@@H]3CCCO3)cc21 586315048 UYALXQFVIDUNLN-HLTMLNHKSA-N 434.514 1.213 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(I)c(F)c2)CC1 609161844 VKTUYWOJOAAHLL-UHFFFAOYSA-N 431.249 1.490 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 670233828 BYDLHNLBVROQRH-DLBZAZTESA-N 437.522 1.358 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)cc1 728830553 MHLPLNHOSBAOIG-MRXNPFEDSA-N 444.513 1.094 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)[C@@H]1CCS(=O)(=O)C1 729331299 LWTHRVJRRCKRCC-SJLPKXTDSA-N 438.571 1.512 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn3ccccc23)c1=O 729669754 CRROBFGRPGYTTF-UHFFFAOYSA-N 439.541 1.013 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCc1ccc(F)c(Br)c1 732448228 HPRDMRJIESQQEK-NXVVXOECSA-N 425.258 1.956 30 10 IDEE N#C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)s2)CCN1C1CC1 732651617 DUHVUAPCLKVWHN-QZTJIDSGSA-N 438.557 1.373 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCN1C1CC1 732673607 AOUCDXXUKJJGEB-RTBURBONSA-N 447.561 1.026 30 10 IDEE O=C(CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)Nc1ccccc1Cl 733886055 GCZRSCIEQZZNHG-MRCUWXFGSA-N 445.907 1.339 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCSC)c2=O)c[nH]1 753359406 RKHJEPIEQXCUFB-UHFFFAOYSA-N 445.566 1.650 30 10 IDEE COc1ccc(CNC(=S)NN=C(C)c2c(C)nn(CCS(C)(=O)=O)c2C)cc1 763129981 OZPVKWRKNWHHCV-UHFFFAOYSA-N 437.591 1.941 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)COc1ccccc1Br 766158990 HBJBJKCVXOVKBV-NUMWXTGKSA-N 438.278 1.222 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccnn2)C1=O 766418502 GMTLGMZDOSNWNQ-QGZVFWFLSA-N 430.509 1.815 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](O)c2ccccc2)c1 776596178 INCFDPAMCBCMLD-CABCVRRESA-N 425.260 1.786 30 10 IDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1 780205639 OQXBPDULDDZKIE-HTAPYJJXSA-N 437.496 1.672 30 10 IDEE N#C[C@@H](C(=O)Cn1cc(Br)ccc1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787058464 JGWWNGQVFHJADG-AWEZNQCLSA-N 433.218 1.544 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(=O)n(CC=C)c(S)nc3c2)n1 790105190 SFRRVQUSGMDMHG-UHFFFAOYSA-N 437.525 1.990 30 10 IDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCO3)n1 807939851 SBLIMWPXGKDGKI-INIZCTEOSA-N 428.474 1.344 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 808786118 GUWAQCJMZGBGDS-UHFFFAOYSA-N 427.505 1.683 30 10 IDEE Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 810802420 AXJGMUUAYLXION-UHFFFAOYSA-N 441.918 1.889 30 10 IDEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 919847985 LOQRNVIMGAUNJM-HNNXBMFYSA-N 441.513 1.306 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)Cc1cccc(C#N)c1 919931130 NBMCCVGIFYNIBX-UHFFFAOYSA-N 436.534 1.399 30 10 IDEE COCCOc1cc2c(cc1C=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)OCO2 920751893 RRMGUQUHXPFQOR-UHFFFAOYSA-N 437.430 1.970 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)c(OC)c1 1084188357 ABOZMBYWVOOPTG-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE C=C(C)C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C(=O)OC 1171469272 GMARERXJTZMXFI-LVQVYYBASA-N 444.550 1.281 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@H]2CCCO2)cc1 1178558310 WXKAEANZXURJQB-YTQUADARSA-N 434.514 1.171 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CC1 1195041889 FBHZOIFBIOFRER-UHFFFAOYSA-N 428.514 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1286282526 NEKFMPZFYUOSPL-KRWDZBQOSA-N 433.520 1.781 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1286298965 ROAFBDUIFULJJR-MAUKXSAKSA-N 432.546 1.978 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC1(O)CCOCC1 1286365623 ZZNZLBOBMHOYOP-UHFFFAOYSA-N 430.505 1.972 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1286393232 QDGAEKFPAIIZSU-IBGZPJMESA-N 441.557 1.944 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1286394164 HETJYOXDUOAODA-GHTZIAJQSA-N 446.577 1.336 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCC(F)F)CC1 1286473747 WFBJSNWACLWCSC-GOSISDBHSA-N 430.503 1.957 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286511374 JZZYDZQZAPQNJE-SJORKVTESA-N 438.623 1.764 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286712123 ZFEPEDNLHBHGOU-HXUWFJFHSA-N 440.552 1.990 30 10 IDEE Cc1ccc(OCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1289840604 FOCWPCHWTKWQOY-SJLPKXTDSA-N 448.549 1.395 30 10 IDEE Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1290867007 HOQVBTSLOPRKBX-IAGOWNOFSA-N 425.537 1.726 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1295164891 GYNFMGBMBPZJBK-GBESFXJTSA-N 445.545 1.370 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@@H]1C 1299434871 HQLZXSNYWCCFCO-MAUKXSAKSA-N 426.477 1.509 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1300493853 WOVJDYSQYKVFJF-INIZCTEOSA-N 442.570 1.974 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1300531905 JBCCWBUUOZGPSF-MRXNPFEDSA-N 446.433 1.881 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1ccnn1 1300657425 LTQGTDKPLYZUPY-UHFFFAOYSA-N 433.314 1.804 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCS2)CC1 1300708610 WLJVJLOGOMEFJT-MRXNPFEDSA-N 430.603 1.920 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1300710452 BKIWCNZPGSLGGI-ACRUOGEOSA-N 444.624 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(CS(C)(=O)=O)CC2)CC1 1300712913 XZIIWVQXJDSSNB-INIZCTEOSA-N 435.594 1.582 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1300756233 JFWMFFUTEIKJCB-IAGOWNOFSA-N 428.566 1.645 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1300820043 BSDVNIRWBHPCOJ-JXPGLKHUSA-N 444.536 1.560 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1300885627 RHVDLMXYHTZMAL-BBWFWOEESA-N 425.555 1.192 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NC2CCCCC2)CC1 1301105292 GPZUNOYSSYCCPU-HNNXBMFYSA-N 438.598 1.740 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1301297769 VKNKJSLGSBIQGG-SFHVURJKSA-N 431.562 1.991 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1301498315 MQHZJFKWMQMDAW-UHFFFAOYSA-N 438.532 1.819 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1301585752 NVOOXRDELJMPDI-CQSZACIVSA-N 444.517 1.420 30 10 IDEE COCCCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1301619890 GLMYXGIRPHXULK-CVEARBPZSA-N 449.533 1.325 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1301881267 ZDSNOVFUVGYTOE-OAQYLSRUSA-N 438.532 1.975 30 10 IDEE COC(=O)c1ccccc1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1304067141 MRFSZVSNXRNWLL-UHFFFAOYSA-N 429.498 1.651 30 10 IDEE COC(=O)[C@@H]1CCc2sc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)nc2C1 1306857820 DNTGZPRBLSEFPY-GFCCVEGCSA-N 434.499 1.210 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1313993868 IXKDRAQEUCTVAZ-UHFFFAOYSA-N 434.548 1.930 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1c(C)noc1C 1316207238 UZAHXWYUWGKQEA-FUHWJXTLSA-N 429.525 1.832 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 1356377181 CKSSGXVOYKAPPZ-NRFANRHFSA-N 449.529 1.990 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1358913696 VTFHLCWZUHYEPH-PKOBYXMFSA-N 446.577 1.778 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1358927120 NTLDOYUZSATKDQ-UHFFFAOYSA-N 430.516 1.909 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358954884 ABLWKXLCHNHYMG-SCEWNMGZSA-N 441.557 1.756 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1359039439 JGDSOBFKUKKSHX-QFIPXVFZSA-N 438.576 1.643 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1359092333 ZPCKGECGZPXKJW-NXHRZFHOSA-N 436.582 2.000 30 10 IDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359213268 PQAWPTIZAAQDSL-GOSISDBHSA-N 448.593 1.881 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC[C@H]2C)C1 1359313477 MRMJEXARKLQOQT-WOIUINJBSA-N 435.569 1.432 30 10 IDEE C=CCOC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OC 1448497933 UHQJFIGFVSYGOZ-CQSZACIVSA-N 434.308 1.224 30 10 IDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1450329665 JPMWYBMVQGJQNW-LLVKDONJSA-N 428.297 1.591 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)C1 1469535785 SGWNIEBAYYCFKI-FQEVSTJZSA-N 442.541 1.522 30 10 IDEE C#C[C@@H](NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)C1CCOCC1 1470864979 LXAQRTKDVCYWKA-IAGOWNOFSA-N 435.521 1.466 30 10 IDEE C=C(C)C[C@H](NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC)C(=O)OC 1472610355 ZHPYNGJZGXCINZ-INIZCTEOSA-N 436.534 1.650 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)[C@H]2C1 1479235975 MUIOOOIUOVPLGC-RTBURBONSA-N 426.521 1.898 30 10 IDEE CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1501212659 JAKFZHYEAIKZEQ-KRWDZBQOSA-N 428.566 1.337 30 10 IDEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1504459849 IDRYHVBFTAYKIL-MRXNPFEDSA-N 433.472 1.492 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCCO 1507519909 LDZPPOGPGHATDN-HNNXBMFYSA-N 434.566 1.404 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1507679686 PKDJFGDBDSTTQN-KBPBESRZSA-N 436.504 1.232 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1507710453 GQBONDDLJVIZKO-RBUKOAKNSA-N 437.610 1.387 30 10 IDEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507931589 CEWXQFPOXUTXNQ-UHFFFAOYSA-N 439.564 1.911 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1508095882 YNSIWJCDUXHIIV-UHFFFAOYSA-N 440.552 1.357 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508141629 NQUKZAXFIROGQI-MSOLQXFVSA-N 438.594 1.904 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1508393673 FNTTTXCOIJYOSM-GOSISDBHSA-N 430.534 1.214 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CC[C@H](C(F)F)N2CCOCC2)cc1 1521094801 HBJZVSZGDYVHMQ-QGZVFWFLSA-N 445.474 1.109 30 10 IDEE C=CCN(C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618429 JPVMWPMWXJWYEY-AEFFLSMTSA-N 427.461 1.189 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1539803356 HYQFUTREWJEJIF-OIPACUDHSA-N 430.958 1.705 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](N3CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876273 MDIMQGMNUYUFGS-XXBNENTESA-N 446.596 1.686 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@@H](C)O1 1544754029 BMBOIJHSLVXYNC-IYBDPMFKSA-N 430.534 1.466 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNS(=O)(=O)CC 1545761362 QLFUPMQHNASOLH-OALUTQOASA-N 446.577 1.878 30 10 IDEE CCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1546998887 HTLUBEBBUWWGFC-UHFFFAOYSA-N 447.561 1.905 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@H]1C 1547648992 DZMOCUVGWXMVFA-MSOLQXFVSA-N 435.536 1.939 30 10 IDEE CN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1552965207 WCZYMYRORMEAGK-CQSZACIVSA-N 434.522 1.155 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1555707565 VEDHVRUBGWLTDV-LJQANCHMSA-N 427.505 1.885 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)C[C@@H]21 1555777992 HTZRPEXSUDBGHU-FGTMMUONSA-N 430.534 1.227 30 10 IDEE COC(=O)[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccnn1C 1557174846 YBTRWKHSYPHSTB-GOSISDBHSA-N 447.517 1.050 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)C1=O 1558257256 JDHYREMYLRLDEL-SPLOXXLWSA-N 434.493 1.259 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1558605968 HOIIAKMOMSTIDX-UHFFFAOYSA-N 436.534 1.292 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cc[nH]n1 1567596622 NILROHYQGICSIP-SFHVURJKSA-N 443.504 1.101 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1585923573 APBCRYXNVRYJPK-KRWDZBQOSA-N 444.536 1.452 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1588055171 SRYFMHIESMYPPE-GOSISDBHSA-N 433.578 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1588185063 ABMPZSLZYRYYFE-YADHBBJMSA-N 431.606 1.830 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588581335 NWCRCTZDVQKBNF-IBGZPJMESA-N 438.937 1.234 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1588780058 GDKWTBASFCPHHR-UHFFFAOYSA-N 442.951 1.636 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593757638 KVKAJUMCDMDWTL-SFHVURJKSA-N 439.520 1.329 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCS(=O)(=O)CC 1594895435 IRFVXBSYCNJYGR-UHFFFAOYSA-N 441.579 1.252 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1595405079 BFBKUFPWTOLNBW-JKSUJKDBSA-N 427.571 1.581 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)C)CC1 1595517308 WWDQJISYCKNEPE-UHFFFAOYSA-N 426.521 1.549 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccc1OC 1595537662 VSTHONHCBZCQRB-HNNXBMFYSA-N 432.912 1.830 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1595714656 PEGKGWIGMXXXCO-SJLPKXTDSA-N 445.545 1.462 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595760957 VIJQJLZHWWKNTR-ZWKOTPCHSA-N 425.599 1.693 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1610997820 RCAPIXAATOPOMZ-QAPCUYQASA-N 449.533 1.323 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CCO1 1614222926 KUPXKUYHUHURTL-GOSISDBHSA-N 432.550 1.761 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC)C1 1617332145 HZPXWHPIYHCVFS-GOSISDBHSA-N 433.534 1.779 30 10 IDEE CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CCN2C1=O 1618463920 RKMDCAHLHDIXJY-INIZCTEOSA-N 431.447 1.654 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1618540640 SQPTYIYBQXDWTM-PWLTZZKVSA-N 441.492 1.191 30 10 IDEE C#C[C@@H]1CCCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1618915686 BSZUOZYOWNEHPU-GOSISDBHSA-N 437.544 1.914 30 10 IDEE O=C(CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)NCC(=O)N1CCCC1 1620633760 ZRMCVIQFHDYMSI-NXEZZACHSA-N 437.331 1.828 30 10 IDEE Cc1cc(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C 1624870578 LERGOSPVAPVQCN-OAHLLOKOSA-N 431.374 1.846 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1629268621 OIPJDJFDVYDOFQ-UHFFFAOYSA-N 429.521 1.754 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC 1639515569 UVJXBQWFAJDYDC-JKSUJKDBSA-N 441.525 1.143 30 10 IDEE Cn1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(I)n1 1643808483 DETNUYKVUYBTNE-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)C(=O)OC 1644823734 ZTSFUUVYLBPLDS-FQKPHLNHSA-N 430.423 1.986 30 10 IDEE C#CCN1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)CCc2ccccc2)CC1 1645626870 XNKUEQFMCNHMQC-UHFFFAOYSA-N 428.577 1.833 30 10 IDEE C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1c1cnccn1 1648664669 DMZPZXQADRNYBG-NQIIRXRSSA-N 437.523 1.535 30 10 IDEE COc1c(F)cc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1S(N)(=O)=O 1652332466 XQCRRIAKQIQQEA-HNNXBMFYSA-N 447.492 1.394 30 10 IDEE Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1652521116 KZBXUHWWUXIJNX-IPJJNNNSSA-N 446.573 1.606 30 10 IDEE N#C[C@]12CN(C(=O)NCCc3ccc(OCCN4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1671072734 MRWSJPFBOIAMSB-SIKLNZKXSA-N 446.573 1.283 30 10 IDEE Cc1cc(C[C@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n(-c2ccccc2)n1 1680766012 FOIHXRQOLKGFKD-AWEZNQCLSA-N 433.472 1.512 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)nn1 1683482873 GEXZDGAHNOSKAL-PKAMJGAUSA-N 433.509 1.517 30 10 IDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1C#N 1687559691 DWWFBIAOQQLMQN-UHFFFAOYSA-N 427.530 1.729 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1689826158 IVDUYBQUCAKFKH-CQSZACIVSA-N 428.924 1.846 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(=O)N(CCOC)C1 1689860599 DIBSCFUDYQYXAW-HOTGVXAUSA-N 444.561 1.222 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1689965985 IEWJWWFTXFHRDC-GOSISDBHSA-N 429.546 1.438 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1690315838 NTLJQJWLBXUQGI-SFHVURJKSA-N 426.521 1.684 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CC2)CC1 1690375402 KEPSKOJHPGYPJA-OAHLLOKOSA-N 427.596 1.663 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnccn2)CC1 1690673300 SOOYPSZHUWBCOK-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC(C)C)N(C)C)CCO1 1696961852 DYEFMSFWQFOEIT-WOJBJXKFSA-N 439.564 1.744 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1698293874 SVZFGHMXZWROMX-KUHUBIRLSA-N 432.481 1.069 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1698295696 MDLGVJXKXXBBEH-RTBURBONSA-N 445.545 1.636 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1705496002 YEYQYLNRYCFTBS-CHWSQXEVSA-N 441.355 1.297 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705565282 GGICWLLAOQODIO-QGZVFWFLSA-N 432.550 1.265 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCOC(F)F)CC1 1705649695 DFMGYEPUWDYPDH-UHFFFAOYSA-N 432.475 1.859 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1705763380 UPEUUYSMNHOHAP-FRQCXROJSA-N 425.555 1.383 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1705844016 UGZJMSFYOHKMPU-OAHLLOKOSA-N 436.534 1.877 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705898317 HVRCMOZJZQZKGO-NRFANRHFSA-N 445.545 1.271 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705905615 BBVBEJGTQYHMNN-SFHVURJKSA-N 439.564 1.697 30 10 IDEE CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706434511 AHOLILWLAAELOI-RJCBAWPRSA-N 443.552 1.815 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1708249445 NGIZBOXTFRTITH-YOEHRIQHSA-N 429.475 1.871 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712584062 OPFOGXMPUPHFSD-NXDJFEHLSA-N 446.552 1.734 30 10 IDEE CS(=O)(=O)NCCn1c(N2CC[C@@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1712714375 WEUNBGISFRLQRC-LJQANCHMSA-N 432.525 1.739 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)c1 1722309769 PTUVMCHYSNRKGG-MRXNPFEDSA-N 445.545 1.007 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1Cc1ccccc1 1722345689 QTIFAEURBKMURX-PKOBYXMFSA-N 430.578 1.622 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1722364893 AUUSKRCITJHPHI-SFHVURJKSA-N 449.577 1.651 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722365501 FBFOMZCXDUDGRZ-PMPSAXMXSA-N 444.504 1.223 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCNc2nccc(C(F)(F)F)n2)CC1 1722442450 XHFUIYDIULKDLS-UHFFFAOYSA-N 438.458 1.491 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCO1 1722446660 HHXFQCPKYXOAKE-KRWDZBQOSA-N 436.516 1.847 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722481560 CPJPPAKWKQJLJX-SFHVURJKSA-N 448.325 1.996 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722531355 LUGCZQGMDABRPG-SFHVURJKSA-N 446.577 1.937 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)[C@@H](C)CC)C1 1722719454 UMGOCKNCERXTKO-RCCFBDPRSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722729821 YBCQBBTYBRYQOX-JOCHJYFZSA-N 445.589 1.741 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1723875760 CGOSWPRJTITCNE-MSOLQXFVSA-N 437.548 1.452 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1729490594 CYVFLJOONAWBPC-OAHLLOKOSA-N 449.533 1.528 30 10 IDEE CNC(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1729695128 KXUFBAOMDSKKKP-HNNXBMFYSA-N 446.533 1.046 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1730414932 QHMHAGZKAAJZTL-QMTMVMCOSA-N 433.459 1.927 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCCS1(=O)=O 1730928746 AHJOBYAXKQOMJS-NXOAAHMSSA-N 425.555 1.708 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1740570594 GBFWHSCSOSRSAE-CRAIPNDOSA-N 444.561 1.878 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1740581314 VBKAKTWUSPUPRO-INIZCTEOSA-N 434.541 1.767 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc2c(cc1OC)C[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1740625595 OOVJBVNUWYTOEO-MAUKXSAKSA-N 444.557 1.848 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1CCc2sccc2C1 1740687606 CXMISZWTWQNULI-UHFFFAOYSA-N 442.589 1.606 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCN(CC)CC2)CC1 1740698160 PMDIWBDRXKMWEV-UHFFFAOYSA-N 436.608 1.047 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOC)CC2)CC1 1740708669 XYFBTZVIKLUVGW-UHFFFAOYSA-N 442.564 1.183 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740742751 AMLUPNPLEBNFJU-CYBMUJFWSA-N 437.342 1.587 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740847308 DUZUUYCJADRUMA-INIZCTEOSA-N 438.598 1.597 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1740906428 OEZDWSIXAAVISV-MRXNPFEDSA-N 440.614 1.278 30 10 IDEE C=CCN(c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C)C1CC1 1740912795 SCWUBEZWWRYSQI-UHFFFAOYSA-N 437.592 1.886 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1 1741714750 UHOWMTZWRNTNOK-KRWDZBQOSA-N 426.543 1.700 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1[C@H]1C[C@@H]1C 1741939649 AMKUKUQRQRNSGX-BXWFABGCSA-N 443.577 1.663 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cnnn2)c1 1742168297 ZFQAUUPIYZKUAW-FQEVSTJZSA-N 425.472 1.993 30 10 IDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1742834336 BOELEVBUZFNFIK-MRXNPFEDSA-N 432.525 1.749 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1743349858 ZAKXBQHNFIVDJG-QAPCUYQASA-N 429.550 1.039 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C[C@@H]1N1CCOCC1 1744990460 WFKWUXUFUBGRJR-ICSRJNTNSA-N 437.548 1.500 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1748771323 KGIHQQPUOROIPN-OXJNMPFZSA-N 427.496 1.356 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1748825915 IJXJZYOHJQRLCM-KRWDZBQOSA-N 437.529 1.195 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1748891750 FHUOJJGUMZILEZ-KRWDZBQOSA-N 431.587 1.959 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748943529 ABYPQHUTMSRMFZ-NRFANRHFSA-N 443.504 1.602 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749276683 PWDNCGFEPXLPPK-UHFFFAOYSA-N 430.987 1.904 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)C(C)C 1749557998 QEGZOTLWRFSYBP-ROUUACIJSA-N 429.569 1.254 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cnn(C)c1C 1749676082 DCTVIVBRJCNSTR-UHFFFAOYSA-N 433.520 1.497 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2scnc2C)C1 1749712962 NYMFWSJXBPGOPU-CVEARBPZSA-N 437.591 1.969 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@]3(N(C)C)CCSC3)CC2)c1C#N 1751827323 ATRVKCQJNFEBEC-HXUWFJFHSA-N 429.598 1.264 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760191421 GZTZGVHHDHCTIE-SQNIBIBYSA-N 433.578 1.463 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1760217888 PXSQRDDKDDBWHS-IBGZPJMESA-N 439.541 1.307 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@H](C)CCC 1760219586 ILINRUIOWLCJEO-QZTJIDSGSA-N 433.578 1.196 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C(N)=O)nc2)CC1 1760259180 ZPGWPOKSNPFNIY-UHFFFAOYSA-N 435.919 1.896 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1760324321 JMXICXCZVMAHGG-HTAPYJJXSA-N 440.548 1.716 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760355316 FMINNUFKBZVKOX-JKSUJKDBSA-N 433.509 1.839 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1760486964 FYPTWKFZHWQTNF-AWEZNQCLSA-N 433.563 1.611 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1761252699 YOQPEQXEUGEZEV-XUTLUUPISA-N 437.504 1.432 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H](C)O1 1763176671 BJTBYLFBEYMATG-HOTGVXAUSA-N 447.499 1.885 30 10 IDEE CCc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)no1 1764627514 GJGYBABLIWOCFJ-OAHLLOKOSA-N 433.538 1.498 30 10 IDEE CCc1nnc(N2CCN(c3cccs3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764915718 CJSPIYNTYQXKKF-VHEBQXMUSA-N 427.534 1.755 30 10 IDEE COc1cc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc(OC)c1OC 1769858674 KDHJCORCRBAZKW-HZPDHXFCSA-N 429.477 1.932 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1769879015 FWBJJXICCSZLOV-JTSKRJEESA-N 437.479 1.754 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2CCCOCC2)cc1 1851612023 HPVPHSLLGJFSLV-NRFANRHFSA-N 443.525 1.705 30 10 IDEE N#C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)CCO1 1852463114 MZHBDZCSVDCHRZ-LBPRGKRZSA-N 425.228 1.035 30 10 IDEE COc1cc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)ccc1F 1854396928 ZJHKXSLRNITNRZ-UHFFFAOYSA-N 437.493 1.604 30 10 IDEE 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GEDQMJIHBHRIEC-SRVKXCTJSA-N 436.343 1.453 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255609302 SSBMRHMUCZIFIT-UHFFFAOYSA-N 439.322 1.033 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255827572 KQWNLGYYSVGNAQ-ZFWWWQNUSA-N 432.330 1.790 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2255831241 SBOAYYDSYYLMKA-UHFFFAOYSA-N 436.318 1.308 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267170740 ZPMXKGXHLIOCSP-IMJJTQAJSA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267171623 NFRNHGQYTCBEQU-LSDHHAIUSA-N 448.329 1.188 30 10 IDEE CN1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)C(F)(F)F)C1 2267552412 SKCLJIOIBAABSE-GFCCVEGCSA-N 445.247 1.014 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268651218 NWROXPPCSFEYGA-AWEZNQCLSA-N 446.313 1.055 30 10 IDEE CON(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C)C(=O)OC(C)(C)C 2315526888 QDCNCROMRFHVIA-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334262592 BOAJGLAPOKCMMO-FVQBIDKESA-N 446.357 1.940 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2334265522 OZEGKAJPDCBBCS-MELADBBJSA-N 447.345 1.242 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)CC2)o1 45715784 HTEKPUZTDKTPTH-UHFFFAOYSA-N 446.393 1.876 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc21 427339608 WLJWBEMNDWBFFK-IBGZPJMESA-N 443.463 1.660 30 10 IDEE N#Cc1cc(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1Cl 443183665 SHYBMDSRGUFTRR-AWEZNQCLSA-N 435.889 1.815 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 460928668 CEPOLVXSFUONSK-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 460933347 PCJOFOBRDCELRT-SFHVURJKSA-N 435.525 1.889 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 463687288 PZSYTAPGPDNJMP-UHFFFAOYSA-N 446.510 1.134 30 10 IDEE C=CCNC(=O)CNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469567388 RTNAWZWTQWJEKN-UHFFFAOYSA-N 429.304 1.528 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478747981 QKJWSKMECSLSRQ-CVEARBPZSA-N 428.510 1.489 30 10 IDEE Cc1ncc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)cc1C#N 489105910 MHRNHGMUJLNMNX-NRFANRHFSA-N 439.541 1.546 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1C#N 489616362 DNLQQQMVMDPZKI-SFHVURJKSA-N 446.554 1.807 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 506105544 LTHAAVHRGMEKRE-MRXNPFEDSA-N 429.498 1.695 30 10 IDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508503365 FVEDTOFLFZQKDJ-QGZVFWFLSA-N 436.520 1.790 30 10 IDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508857249 NVJQHJFYZQEKPJ-UHFFFAOYSA-N 430.940 1.765 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 511361439 NDRLJJZIUXMHAD-CYBMUJFWSA-N 436.353 1.413 30 10 IDEE C[C@H](C#N)CN(C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C1CC1 513919301 XBSAKPQXISJOHO-HIFRSBDPSA-N 440.547 1.308 30 10 IDEE C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N1CCS(=O)(=O)CC1 521105756 YDPCUBWYLJOHGS-CQSZACIVSA-N 428.470 1.121 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cn1 545899967 WYOBKUZIQZZNFY-UHFFFAOYSA-N 431.456 1.933 30 10 IDEE Cc1cc(=O)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nn1-c1ccccc1[N+](=O)[O-] 546875675 ZLRTXODJOGVNTD-UHFFFAOYSA-N 445.439 1.678 30 10 IDEE CN(C)C(=O)CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 549708150 NJXYMXBZWBQZQM-LJQANCHMSA-N 437.548 1.454 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(N(C)CCOCc3ccc(C#N)cc3)nc2)CC1 554690196 QYDZFDGLYIEIDW-UHFFFAOYSA-N 429.546 1.542 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CC1 555146829 OQJBETJPPTVJSB-UHFFFAOYSA-N 447.561 1.853 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CC2=O)cn1 555394678 JRRHOORVGTYCER-IBGZPJMESA-N 432.488 1.582 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cscc2C(F)(F)F)c(=O)n1C[C@H]1CCCO1 564551681 DTZLIGIIPZDROW-LLVKDONJSA-N 443.472 1.418 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1ccsc1 573894976 SEDWDAQZMQALMH-UHFFFAOYSA-N 425.535 1.835 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 588196047 DTDLSYRLZJJKFE-JOCHJYFZSA-N 445.523 1.514 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CC1 603551486 IJJNGLSHKWQSTP-UHFFFAOYSA-N 447.543 1.888 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 603990326 YQUIFGJXOFTIKH-KRWDZBQOSA-N 439.537 1.053 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccccc3SC[C@H](C)C#N)CCN2C1=O 610776471 GBJYMLNTCALPGU-UKRRQHHQSA-N 429.502 1.372 30 10 IDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670234596 QITZVWRYAZINOG-XLIONFOSSA-N 426.569 1.634 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 704567470 MUVXQNFGXYVFMF-XHDPSFHLSA-N 441.344 1.963 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OCC#N)cc2)C1 727679559 CHWDSRCGIITTQW-KRWDZBQOSA-N 432.502 1.911 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732706042 CKNYFAHFAIGLOP-JXXFODFXSA-N 439.516 1.073 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(Cl)nc(N(C)C)c3)CC2)o1 733571858 GJBQZOWFKCYADY-UHFFFAOYSA-N 432.868 1.475 30 10 IDEE CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1C 737197601 GNXSIJDRVKFGGE-INIZCTEOSA-N 433.534 1.284 30 10 IDEE Cc1c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(Br)cc1S(N)(=O)=O 747388212 FRISAZCZPHPNJB-CYBMUJFWSA-N 427.324 1.217 30 10 IDEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 750678271 NJRSTFDPEZMUFL-HXUWFJFHSA-N 442.472 1.872 30 10 IDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(Cl)c(F)c1 755206883 AYIGIICJKUTVTD-NFICGAQRSA-N 434.855 1.784 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)c(Br)cc1F 756965844 SWYDGZQNXGFKJT-VIFPVBQESA-N 428.276 1.538 30 10 IDEE COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760552302 QLNHUKTYZJMPPH-HSZRJFAPSA-N 434.500 1.595 30 10 IDEE COC(=O)C1=C(CN2CCN(c3cccc(C#N)n3)CC2)N(C)C(=O)N[C@H]1c1ccccc1 760912679 DHWPBOLBWZJVSK-QFIPXVFZSA-N 446.511 1.899 30 10 IDEE CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 770462953 GNBANOAUVIAHNP-SNVBAGLBSA-N 434.499 1.596 30 10 IDEE CN1CCC[C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)[C@H]1c1cccs1 787775225 BTXQBANIIOYNLA-AEFFLSMTSA-N 426.546 1.742 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)n1 788814387 XBZJLJFRHLETKM-UHFFFAOYSA-N 448.520 1.729 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CC(=O)N(C)[C@H](C)C2)c(C(=O)OCC)c1C 800480559 VSFCVEYVQKPJDB-GFCCVEGCSA-N 437.518 1.677 30 10 IDEE CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802051671 ZDHUHXUJAAMFPM-NRFANRHFSA-N 448.575 1.433 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H]2C[C@@H]2C(F)F)C1=O 807937222 YMPHRFDBLHRLRG-VQGCMSARSA-N 439.532 1.646 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCCO[C@@H](C)C#N 808653995 JRBKQZFJDZUKQU-HNNXBMFYSA-N 425.507 1.107 30 10 IDEE COc1ccc(N2CCN(CCCNS(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 813646802 OAVIUJODVDDHOH-UHFFFAOYSA-N 429.546 1.761 30 10 IDEE N#Cc1cccnc1N1CCN(Cn2nc(N3CCOCC3)n(C3CC3)c2=S)CC1 873971249 JUGXLTHRWKDLQH-UHFFFAOYSA-N 426.550 1.632 30 10 IDEE C=CCNC(=O)[C@H](C)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 919207818 RXIZERVLTLGBLW-NSHDSACASA-N 447.307 1.036 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1132668285 JZAXPUPSCWBFMX-UHFFFAOYSA-N 435.278 1.435 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc([N+](=O)[O-])ccc2OC)s1 1152206768 RMEHZSLNSFCDLQ-UHFFFAOYSA-N 425.488 1.988 30 10 IDEE COC(=O)c1ncoc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1153085350 CQUHOCGNKDGVHG-UHFFFAOYSA-N 434.474 1.377 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](CC#N)C(F)(F)F 1156053946 XOWICKGOSGEGCS-CHWSQXEVSA-N 439.843 1.834 30 10 IDEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 1277114853 QQRGFUINSYAHKW-UHFFFAOYSA-N 447.557 1.030 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOCC1(C)C 1286278256 BOKVXFWKBCCDHB-QGZVFWFLSA-N 445.589 1.917 30 10 IDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1Cc1ccc(C(N)=O)nc1 1286432396 IFXRKNPJZYHJAR-UHFFFAOYSA-N 428.496 1.905 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1286464012 PKZNXMDKPJWFGA-INIZCTEOSA-N 446.529 1.237 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1286473809 XVXFYKADPJLXMW-PMOQBDJRSA-N 431.581 1.625 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCC(OC)CC2)CC1 1286490563 YBYIEQJIJNCATN-UHFFFAOYSA-N 439.564 1.850 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1cn(C2COC2)nn1 1286515163 TYMHYQBATDBRJG-OAQYLSRUSA-N 426.525 1.400 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1286772420 DCNVGZVWBRBJLR-SFHVURJKSA-N 437.610 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286788353 VFXGOQGQNKYAOL-IRXDYDNUSA-N 448.568 1.825 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1288708837 GBCWCBNQPCAOFZ-IAGOWNOFSA-N 446.502 1.844 30 10 IDEE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1295939503 HZSIIAWHWXGEMS-UHFFFAOYSA-N 429.429 1.491 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(CN2CCOCC2)CCCCC1 1297308728 DZSUZUQVEAXEJD-LJQANCHMSA-N 432.569 1.826 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1298013513 OKRICIATBZYSQC-UHFFFAOYSA-N 425.537 1.190 30 10 IDEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1298036442 ABVBYMSHLHBWLS-CVEARBPZSA-N 429.550 1.494 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1300274529 XMLFIGWLWVNXPN-SCTDSRPQSA-N 432.594 1.958 30 10 IDEE C#CCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424635 JWPUBPDJKDTBOU-UGKGYDQZSA-N 428.537 1.834 30 10 IDEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1300635161 FSZOIOHTJAHPBF-UHFFFAOYSA-N 430.574 1.853 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1300719251 TYPIUTXXFMKXPQ-UHFFFAOYSA-N 447.543 1.555 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1300801221 KEEUVDXVINBHDV-OAQYLSRUSA-N 443.577 1.709 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1300990239 CVZLPCAWIJKKOT-SJORKVTESA-N 429.525 1.972 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1301424033 GNOLRSHORYFBPF-DNVCBOLYSA-N 440.591 1.788 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCOCC2)CC1 1301492208 AGRPPQGAXQZCED-UHFFFAOYSA-N 445.955 1.597 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1301510475 YGOGFJWQVVEYBF-UHFFFAOYSA-N 448.527 1.921 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C(=O)OC(C)(C)C)C1 1301555419 XBLGLOITXQQQOM-HZPDHXFCSA-N 434.541 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301585386 AICCCTGFYOBNHG-GOSISDBHSA-N 445.545 1.305 30 10 IDEE CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301689618 IKRHSMQQTAEMEW-ISLYRVAYSA-N 429.525 1.161 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(CO)Cn2cnc3ccccc32)s1 1305341719 JBNRRVSBTOCDTO-FQEVSTJZSA-N 448.570 1.672 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1305626531 CTZLHXIBQKUCIT-HOTGVXAUSA-N 425.537 1.940 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1305789213 DDNAVGQXKIDBCS-DSZJKHHPSA-N 430.553 1.866 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(CO)(NCC4CC4)CC3)CC2=O)cc1Cl 1306866357 DJARUDBLXYSTGB-QGZVFWFLSA-N 430.936 1.918 30 10 IDEE CCCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1307034118 GMHFHYSFVNKUHL-MRXNPFEDSA-N 437.614 1.750 30 10 IDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1307936231 BMBAMECEWAUHFA-DOTOQJQBSA-N 440.418 1.600 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@H]1CCCO1 1318790128 IOTMEQBCNMYSHR-LJQANCHMSA-N 435.549 1.383 30 10 IDEE CCOc1ccccc1C(=O)NCCCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1351735144 FZUXGMLAAHNVHW-UHFFFAOYSA-N 426.477 1.665 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1358904192 YMVCMLMLRZRWRT-UHFFFAOYSA-N 444.565 1.926 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358965190 POXNDFPCGMGZKH-RBUKOAKNSA-N 445.589 1.952 30 10 IDEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C)C1CC1 1359249828 QUHAIMYRRDKXJO-UHFFFAOYSA-N 431.566 1.871 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359287724 SBLBGZJEUYQVNN-KKUMJFAQSA-N 435.481 1.887 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CNC(=O)CCC)C2)s1 1442869683 PIXKAFBCWNHNBJ-OAHLLOKOSA-N 427.592 1.910 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1446135080 BIFJVEPINPHERO-ZDUSSCGKSA-N 428.449 1.136 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCCS3(=O)=O)C2)C1 1446729611 AJQPHXMUHJXSGO-SIRSKZSMSA-N 425.551 1.857 30 10 IDEE C#Cc1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1 1449798643 LYLMGNMMAJXELC-LJQANCHMSA-N 434.539 1.066 30 10 IDEE COC(=O)[C@@]1(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H]1S(C)(=O)=O 1455376984 JLJBSHQLZOZSCW-SIKLNZKXSA-N 442.493 1.843 30 10 IDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)CC(=O)OC(C)(C)C 1460357997 WGODBYSRUVTQGA-UHFFFAOYSA-N 435.546 1.687 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)CC1 1471451092 NDSWJECAISSJFQ-UHFFFAOYSA-N 443.953 1.609 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)cc1Br 1475436646 CKNGHIDZVHYUBG-NSHDSACASA-N 430.259 1.908 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC(=O)N3)CC2)c1C#N 1492726943 BUUOUCSUDPAWFF-OAHLLOKOSA-N 425.541 1.094 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCN2CCOCC2)n1 1492748545 HYTWZOSBLHRRCJ-JOCHJYFZSA-N 426.569 1.992 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1505037992 JAWIYPURNYMURN-AZUAARDMSA-N 427.505 1.721 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1507798841 HVSMYVGJKOAPDH-VYDXJSESSA-N 442.486 1.895 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507913604 VPFJTNIRCJTZJI-UHFFFAOYSA-N 442.568 1.855 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508091552 VGHWKTNPVKQXOQ-BBWFWOEESA-N 448.568 1.824 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1508095167 MGSDEGCIWYABMS-GOSISDBHSA-N 438.532 1.705 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1508422948 FNKURXRCXJQHQN-SJLPKXTDSA-N 444.561 1.483 30 10 IDEE Cc1nc(=NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)n(-c2ccc(C#N)cc2)[nH]1 1530707512 KUCRRIAPHATICX-UHFFFAOYSA-N 431.378 1.796 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C2 1535802513 ZIOOGZSMKPIPHV-XCTYRVGVSA-N 428.492 1.945 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1539507369 VKXJYRUODODMAD-UHFFFAOYSA-N 436.559 1.564 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1539520113 NOKPLXYBMSBMDJ-UHFFFAOYSA-N 437.566 1.456 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1539612960 RXGPAGJLNVBJGA-GJZGRUSLSA-N 428.331 1.579 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539626888 GZAWFIYKLAGZQA-LNLFQRSKSA-N 427.509 1.058 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540040655 ZZKMNIDQXSFEJH-KRWDZBQOSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1540874562 LACUDUFDWOHOAG-UHFFFAOYSA-N 449.563 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540898979 AKDYCNMNNOLVPG-AEFFLSMTSA-N 449.577 1.604 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540901925 VCVBMPVVFMTNDR-INIZCTEOSA-N 442.549 1.453 30 10 IDEE CC(C)(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1541147172 MDVUAXKITMEULX-YPWSZFOLSA-N 441.536 1.349 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCCNc1ccc(C#N)cn1 1543449546 IERMTDATRVRKNP-XTBFLFJDSA-N 435.406 1.467 30 10 IDEE CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)NC)c2ccccc2c1=O 1547212519 BVBCLGQFCLDIDI-OAHLLOKOSA-N 436.520 1.797 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CC1 1548279892 CQGYBCABVXGPCG-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C 1555584213 CSPAHDHAYMOKGA-GAJHUEQPSA-N 437.548 1.452 30 10 IDEE CCN(CC)[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(OC)c1 1563535677 HVSLMJFKNUTUHW-GOSISDBHSA-N 428.493 1.211 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)ccc1F 1584108998 YDADDHJLFXNRLX-IBGZPJMESA-N 447.532 1.787 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1588228762 LVHLEWWRMWYMKP-IBGZPJMESA-N 431.606 1.765 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N(C)C 1588647275 TUMPFFNKBSLNKP-GOSISDBHSA-N 426.569 1.488 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ncn(C)n2)CC1 1588907470 CDCKOENOXRYWIJ-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(S(C)(=O)=O)CCC2)CC1 1588947289 MNHJPCGVKCFPNM-UHFFFAOYSA-N 435.594 1.410 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589406103 UTGHHJYMRLGYJY-BFHYXJOUSA-N 429.315 1.441 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1593696670 UZYJWSPETIXXGZ-AEFFLSMTSA-N 432.569 1.752 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1593799663 ACPVGUCAELKPRK-UHFFFAOYSA-N 425.965 1.159 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(CS(C)(=O)=O)CC2)C1 1595738431 OYJKQNJVIFLXMK-SFHVURJKSA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1595778068 VLSJUCAJNLVOLW-IYBDPMFKSA-N 442.549 1.614 30 10 IDEE Cc1ccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1612018113 INHMAFUUFXPEDW-LZICOFPGSA-N 426.477 1.846 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 1616345615 AYBCZJKSNHKJPS-XUTLUUPISA-N 447.923 1.340 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1616735429 XCPBEXLHEDQYIT-QHCPKHFHSA-N 443.500 1.574 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]([C@@H]3CCCO3)C3(CO)CCC3)C2=O)cc1 1627657436 XUFWZMHLOLSPJD-HBFSDRIKSA-N 440.500 1.590 30 10 IDEE C#CC[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1628849181 BCKXSWZLPBPMHN-QGZVFWFLSA-N 430.482 1.763 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)CC[C@@H]32)CC1 1629918492 HSSUYNCHVSJLGW-MSOLQXFVSA-N 442.520 1.894 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)c1 1630546777 OSIVFTONMDBMKK-HSZRJFAPSA-N 445.516 1.717 30 10 IDEE COCCO[C@@H]1C[C@H](CO)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1642934197 XEYGWMLLJFRJDE-PKOBYXMFSA-N 428.451 1.519 30 10 IDEE C=CC[C@]1(C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1644787984 WWQAXRFZKLVICN-VHKYSDTDSA-N 444.550 1.425 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(C#N)cn4)C3)[C@@H]2C1 1650819508 OOTXLIGCSRFRDW-OIISXLGYSA-N 427.461 1.608 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCCCC1 1652520924 HXPZBZLYANTDED-YRNRMSPPSA-N 425.551 1.857 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1659606939 IJGBFUSNJNAODC-LXDLAPCHSA-N 438.477 1.858 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1659647125 KKZFUXPFMDGZES-MRXNPFEDSA-N 431.480 1.434 30 10 IDEE Cc1nnc(N2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)n1C 1662849994 GERGCRNKXAHOSZ-UHFFFAOYSA-N 425.312 1.269 30 10 IDEE C#CCOc1ccccc1CNC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1678937648 PLKNKROWRVFCCY-UHFFFAOYSA-N 430.530 1.624 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1689842026 SBGXXMYURMYCPN-QVKFZJNVSA-N 448.545 1.360 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1689897716 GDWUCCLJFGBPCY-GOSISDBHSA-N 433.520 1.599 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]2c2ccccc2)CC1 1690112161 QNDDANZERIIEKG-IHPCNDPISA-N 442.589 1.447 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1690122471 RUFNLOIQEYQCMU-OAHLLOKOSA-N 436.413 1.589 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690484809 DTLPANUAAZJWHY-ZWKOTPCHSA-N 437.610 1.836 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)COCCO1 1690516527 LQWRVVPEKWRUTF-HXUWFJFHSA-N 434.566 1.974 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690565995 ZJXRKEDXECUNAD-NQIIRXRSSA-N 432.546 1.524 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1690624155 IASIOEPBCILUSQ-UHFFFAOYSA-N 440.591 1.509 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1690668283 YYAAWLNXCNVJRT-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690734023 UBERXDBUDDNBGJ-MSOLQXFVSA-N 436.626 1.883 30 10 IDEE CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1695630472 WLUJDBTYWKFGNH-RPBSFSNWSA-N 432.525 1.691 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1696501603 FDAJCFAWFVYJTC-KRWDZBQOSA-N 446.533 1.145 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C(F)(F)C12CCC2 1698061819 VLEHYBDIXWIXKD-HUUCEWRRSA-N 443.520 1.982 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCCC2(C)C)CC1=O 1698087625 IEXRGOUZFJMZHS-LJQANCHMSA-N 438.532 1.927 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1705474118 CMQZMHQZYSCJPA-HOCLYGCPSA-N 449.964 1.754 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705475404 RJWSBZCOFCBVAC-HZMVEIRTSA-N 440.614 1.234 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1705604833 UWQREFOTZQDFOQ-MRXNPFEDSA-N 446.577 1.292 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705655536 GJTBNCJCNSZLBT-CQSZACIVSA-N 425.967 1.983 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705736179 NCBLUORTXMAKMU-AWEZNQCLSA-N 439.538 1.468 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(N)=O)C1 1705938310 VBIUBXPGPXICMS-QGZVFWFLSA-N 447.561 1.386 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)C1 1706935243 ODFQRWLNFZHQOM-JBYIUTFZSA-N 429.569 1.596 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1712524480 DGPAKWDFWDHXRC-VGSWGCGISA-N 444.536 1.816 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1722426502 JPBSROVHGIDTRN-UHFFFAOYSA-N 429.496 1.376 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1722449327 ULRLFTWJTAUFGA-CVEARBPZSA-N 434.541 1.619 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1722538006 SLZDYGAPPFUHBZ-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722700916 YXJVVIHGAMDYKP-HNNXBMFYSA-N 433.582 1.093 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1722728089 NTMQWAJLGGHMOV-UHFFFAOYSA-N 434.566 1.124 30 10 IDEE CC(C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723155098 BJIWINTZJVRZSF-GNDBUYPCSA-N 443.552 1.229 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCN(C(C)C)CC2)n1 1726057177 GBZHYJHKNOJBDF-NRFANRHFSA-N 444.559 1.817 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726412423 FLPOZYRABFCYPY-MLSMBGFSSA-N 426.452 1.830 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCc2nccn2C1 1730763406 GQMXJRBXRPXOBT-LJQANCHMSA-N 437.552 1.965 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1cccn1 1740545908 DJVBRVJSERXLGM-INIZCTEOSA-N 426.550 1.983 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1740610285 VYSSZYZFSMAUJV-JKSUJKDBSA-N 439.582 1.799 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC12CCC(CC1)C2)[C@H]1CCS(=O)(=O)C1 1740616187 VOJKRVSXCKNPST-BATSVXPKSA-N 433.578 1.623 30 10 IDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1740618289 GBNUPNNAEYEUJQ-MRXNPFEDSA-N 441.513 1.454 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1740654253 HBRDFOUMAJHYBU-UHFFFAOYSA-N 444.532 1.411 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOCc2ccccc2)CC1 1740700825 JKCDTFGEOXONHE-VXKWHMMOSA-N 439.560 1.974 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740711118 HNCVYOYMKDZBHT-SFHVURJKSA-N 449.602 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H]1C 1740952493 GEUHJCJOLAMZOA-CQSZACIVSA-N 431.566 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740990278 OPSGJVYPERVWLL-ROUUACIJSA-N 446.577 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740990814 GBHGMXUYOWJBGK-SFHVURJKSA-N 447.561 1.856 30 10 IDEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1741004451 AUEPIRFAWSNGII-INIZCTEOSA-N 444.561 1.999 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCS(C)(=O)=O 1741476120 FATCKFRINUZLPI-UHFFFAOYSA-N 431.566 1.505 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCCC 1748648659 AWRGKIKWZFMNFM-OAHLLOKOSA-N 432.550 1.180 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1748698295 SNMULJGWPMKPSD-UHFFFAOYSA-N 439.520 1.460 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1748791659 ZFKFUHPDQLMOCP-MRXNPFEDSA-N 436.559 1.114 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1748825403 WCNIXTXDZQHYQE-UHFFFAOYSA-N 426.908 1.413 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCc1ccccc1 1748900793 LZAWMHUDCWKEGZ-UHFFFAOYSA-N 443.555 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OC)CC1 1749008546 BZTPOWVXADQCQC-UHFFFAOYSA-N 432.488 1.153 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccnn2)CC1 1749096902 XDAYEILXMBPOBD-UHFFFAOYSA-N 428.298 1.760 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)CC1 1749342754 NKXWCUIQTNGNLU-GOSISDBHSA-N 437.610 1.429 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1749454670 KYFHTRBXWBUPKQ-UHFFFAOYSA-N 426.525 1.712 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@H](C(C)C)C1 1749731282 AQCRIFZJUUSAHC-GJZGRUSLSA-N 427.596 1.408 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750473978 CYCCSMZBEBHZOA-MRCUWXFGSA-N 441.580 1.925 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1760138252 VBTWSXMSTWROAB-KRWDZBQOSA-N 431.566 1.044 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760144700 YVJUSXIQXZLLHN-AZUAARDMSA-N 443.596 1.209 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760190548 XMUPOANMYUXAKW-OAHLLOKOSA-N 443.451 1.893 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cccs2)CC1 1760269324 FJANTEOFCJMFMH-JTSKRJEESA-N 443.573 1.717 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760370693 AKWNGZJONKCMFB-MRXNPFEDSA-N 441.927 1.978 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccccc1 1760467609 OFNCSYYOSKANQJ-UHFFFAOYSA-N 429.550 1.740 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1 1760515350 DEBSVABGASRVHL-AWEZNQCLSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCCC(=O)NC 1760515974 UFIKEGJFJFAOMR-UHFFFAOYSA-N 449.353 1.972 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760554740 LKLRPKOYBPBNHI-OAQYLSRUSA-N 447.536 1.325 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1760566557 WUTNMFHPLIIGFB-HNNXBMFYSA-N 442.567 1.155 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1760695306 FOPVBYAACOWPJP-NVXWUHKLSA-N 440.533 1.405 30 10 IDEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)s1 1762487394 MZOJFCJCWIOQPG-SUMWQHHRSA-N 439.542 1.415 30 10 IDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)c1 1768775179 CHRYDCOQORNOBL-DOTOQJQBSA-N 432.550 1.974 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1770049646 FGQDGMRZLFNZFI-INDMIFKZSA-N 436.557 1.230 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1772566973 VEYYFSWDDGSGLP-KGLIPLIRSA-N 444.458 1.327 30 10 IDEE Cc1nn(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1S(=O)(=O)N(C)C 1850370708 FZWSXUPFXKHJES-UHFFFAOYSA-N 445.545 1.692 30 10 IDEE CC(=O)N1CCC2(CC1)NS(=O)(=O)c1ccccc1N2C(=O)Cc1ccc(C#N)cc1 1851085893 HPEMBUPIJWNLOU-UHFFFAOYSA-N 438.509 1.764 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CNC(=O)c3ccccc3Cl)CC2)nc1 1851562105 ZPRPSOLFHUXWIL-UHFFFAOYSA-N 427.892 1.702 30 10 IDEE CN(C)C(=O)COc1ccccc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852534689 BGKLFWMRISGOSM-UHFFFAOYSA-N 437.500 1.399 30 10 IDEE N#Cc1ccc([C@@H](CC(=O)OCCN2CCNC(=O)C2)N2Cc3ccccc3C2=O)cc1 1852652115 ACGVKNMFRQVGOU-OAQYLSRUSA-N 432.480 1.620 30 10 IDEE CN(C)CCCNC(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933576 JESWESCCFIWTNT-SFHVURJKSA-N 432.521 1.543 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)c(OC)c1 1870098873 WQUHUWAGBSFZHP-UHFFFAOYSA-N 429.414 1.686 30 10 IDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870535125 HWOANXBSCFRLTR-RTBURBONSA-N 434.581 1.480 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC(O)C1 2141666327 XAAXGAWLCCOJDS-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE C=CCn1ncc(NC2(C(=O)OC)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162323881 QTZBSURFKKHCPG-UHFFFAOYSA-N 443.298 1.766 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243425518 NMGRCSATKREUSE-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247837740 XHXQETUWCPBOJP-INIZCTEOSA-N 433.261 1.725 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248443380 NKJFGQNEWCMRJG-LJQANCHMSA-N 439.343 1.753 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255527246 IJUMHLKYWSMWHJ-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255632268 KUZGAJUGSNDGEA-HXUWFJFHSA-N 436.318 1.123 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255703193 PSTRCZYCHKWGOS-YPMHNXCESA-N 429.248 1.986 30 10 IDEE CCC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2256055133 BNLMGPXBLAAWFA-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256594687 BMOINNCHNJOGNR-OAHLLOKOSA-N 430.314 1.939 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267800487 RRAOJHQYWZKGHD-UHFFFAOYSA-N 448.325 1.403 30 10 IDEE C[C@H](C#CC(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302374724 KECHMNUWZTZVPE-SZNDQCEHSA-N 439.509 1.874 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322316097 ZUJYVLUMULHXJS-KBPBESRZSA-N 437.321 1.984 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1C 2337322886 BJDORFWOENEIFO-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3)n2N)cc1 20293115 UTGCENBLNUUIGW-FSJBWODESA-N 441.517 1.864 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(N1CCCCC1)n2CC=NNc1ccc(C(=O)O)cc1 254290394 LUUFZAGRLVKNHC-UHFFFAOYSA-N 425.449 1.622 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 427018771 CRQUGSUIDXSJFL-UHFFFAOYSA-N 431.496 1.939 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1Br 433875844 AIRKOTAEUOFEKE-UHFFFAOYSA-N 448.364 1.556 30 10 IDEE COc1ccc(CC(=O)Nc2snc(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 439306584 UMOQYEVIJAMRDX-UHFFFAOYSA-N 436.515 1.534 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)s1 477003146 RVWJJEDLIDIZNK-UHFFFAOYSA-N 448.529 1.622 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1SCC(=O)N(C)CC(=O)N1CCOCC1 481362037 DBUDHNNNYSELMS-UHFFFAOYSA-N 445.545 1.452 30 10 IDEE Cc1cc(C)nc(-n2nc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C)n1 486010715 ZRACIUVVOMCPJV-IBGZPJMESA-N 429.484 1.990 30 10 IDEE N#Cc1cc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)ccc1Cl 504802881 JBWSEWNHNJFADD-UHFFFAOYSA-N 444.900 1.753 30 10 IDEE Cc1nc2sccn2c(=O)c1CCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 509293077 DSOXMOWEWVYHBS-UHFFFAOYSA-N 443.554 1.485 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 512596827 HEOUNXNKOZISFQ-HNNXBMFYSA-N 449.349 1.248 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 512710554 VHMXNUJLGVPGAU-HNNXBMFYSA-N 449.349 1.248 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(C[C@@H]2CCCO2)c1=O 514835964 ZLRUTEADHIHPJS-IBGZPJMESA-N 449.532 1.810 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)Nc3ccccn3)sc(=Cc3ccccc3)c2=O)CC1 516827773 BVJPZSRYHGUVPT-UHFFFAOYSA-N 445.548 1.713 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 542941610 CCQCSPNAGZPNFH-DTTOXWODSA-N 425.832 1.498 30 10 IDEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549321192 IKGFFAXBXYKFSW-UHFFFAOYSA-N 438.576 1.734 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 559003314 AJPABWHVAWUSTP-HSALFYBXSA-N 446.596 1.569 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H]3CCCO3)CC2)n1 559118223 GFBDHPIGHYIQMM-SFHVURJKSA-N 436.520 1.286 30 10 IDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2-c2ccccc2C)CC1 603798122 UARWXTXGRHMPHU-UHFFFAOYSA-N 448.548 1.468 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@H]1CCCO1 603798209 JXSBUZITOZLJDM-GOSISDBHSA-N 441.553 1.053 30 10 IDEE C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 607008619 PMVZHLQUACQCSO-UHFFFAOYSA-N 436.578 1.766 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC(=O)N(CCOc4ccccc4)C3)cc2C1=O 607543458 ODZACQBQQLXYFV-KRWDZBQOSA-N 433.464 1.878 30 10 IDEE CCc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)cc1 727416687 XSXUHIUJRGEBRH-UHFFFAOYSA-N 435.505 1.416 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2-n2cccn2)CCN1C1CC1 732708954 WWRQHJFDXJNNGP-OAHLLOKOSA-N 443.305 1.772 30 10 IDEE C#CCCNC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 733247726 ONVOVSKVYDPNSC-GUYCJALGSA-N 427.954 1.874 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 734451064 MSOAPVWPMSOLKW-UHFFFAOYSA-N 446.504 1.612 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NCCCN3CCOC3=O)c(C#N)c2N)cc1 752947164 CBNFYEDXAAGRPB-UHFFFAOYSA-N 425.493 1.709 30 10 IDEE CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 762546411 KDJDYYOIXYUFLY-GOSISDBHSA-N 426.542 1.848 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(N2C(=O)N[C@@H](c3ccn(C)n3)C2=O)c1 771920566 NQIZCLDXSRYZQV-ZVTCDHROSA-N 444.517 1.811 30 10 IDEE C#CCN(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774235056 KLRGZQVUPQEBJD-NRFANRHFSA-N 447.601 1.890 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@H]2CCSC2)C1=O 790285987 VSOMPECBYDGPJO-AOZSXKTHSA-N 449.646 1.745 30 10 IDEE COC(=O)[C@H](OC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C#N)cc1 795839841 MIUSLMMNKBORQK-APWZRJJASA-N 438.358 1.947 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)NC2CCN(CC#N)CC2)cc1 806746404 RMLMKCMAWUBNOO-HNNXBMFYSA-N 431.493 1.104 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1OC 806803911 BIXAWNBBGGRZCT-DLBZAZTESA-N 438.550 1.942 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)c1=O 808241381 SXAWPXQIJNRTEA-INIZCTEOSA-N 428.493 1.379 30 10 IDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)c1ccc(Cl)cc1 810472222 GKMMVWFROXUHGJ-QGZVFWFLSA-N 427.844 1.672 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc(OC)c1OC 916196729 GISRQQVUASJTDO-OAHLLOKOSA-N 427.482 1.141 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(C(N)=O)c(Cl)n2)c1 1125489330 PZBDLUAYVDQPGS-UHFFFAOYSA-N 426.860 1.321 30 10 IDEE Cc1nc([C@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)no1 1133527764 OZNCYQDSNHGRJT-KRWDZBQOSA-N 429.502 1.667 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCNS(=O)(=O)Cc3ccccc3)n[nH]2)c1C 1155585338 NNTRIWCREBJJML-UHFFFAOYSA-N 442.545 1.925 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1B1OC(C)(C)C(C)(C)O1 1157542724 KPTRIJXYPUXJRL-QMHKHESXSA-N 441.337 1.887 30 10 IDEE CN(C)C(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1158868378 RAYCDBSIRZFIIE-KRWDZBQOSA-N 426.477 1.025 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)c1ncon1 1163868473 ALOKCHWXSVQIHL-KBXCAEBGSA-N 425.470 1.708 30 10 IDEE COC(=O)c1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(F)c1 1167814494 BQZKOZKOUBIHSN-GFCCVEGCSA-N 433.461 1.746 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)CC1 1171133014 IJNPMUGOKARKFO-PZJWPPBQSA-N 444.551 1.896 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1286369246 IZZMZXDWVGSAAO-UHFFFAOYSA-N 433.516 1.568 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1286380023 AXEBGMBHFQWPAR-MRCUWXFGSA-N 436.472 1.462 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1286393684 MEXOFLWOIGKBFG-ROUUACIJSA-N 443.573 1.782 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC(N)=O)c1 1286403843 MNIPYKDFDLHYMK-UHFFFAOYSA-N 434.887 1.979 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1286466192 DZBUPRJOOMWDAF-LPHOPBHVSA-N 432.546 1.368 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCSC)CC1 1286477110 NXSOBAQVWVMQJT-UHFFFAOYSA-N 447.634 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)noc2C)CC1 1286490961 YOIMXUNNWGPRJI-SFHVURJKSA-N 439.520 1.102 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCOC2(CCOCC2)C1 1286785002 BDKGMGVZUBRBMD-UHFFFAOYSA-N 427.505 1.642 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(=O)(=O)CC)C1 1286805811 SJSKXVXDHZDRGE-INIZCTEOSA-N 449.533 1.394 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286825305 OYRUSAXNOOTOIK-DLBZAZTESA-N 440.566 1.505 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1286964537 CBUKYQQCSRUIGK-MRXNPFEDSA-N 442.549 1.618 30 10 IDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1290249724 LWLLDFBHUMEZGA-UHFFFAOYSA-N 445.545 1.946 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)ccc1F 1299977998 OMIXWMBIPSOTDW-LJQANCHMSA-N 440.537 1.978 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300501374 KWNVLTOHVSRCNW-QUCCMNQESA-N 449.621 1.358 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1300556143 CRPACDZMRPWAOB-OAHLLOKOSA-N 433.509 1.547 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOC[C@H]2CCOC2)CC1 1300719999 YOMAFOYMLSVXRX-GOSISDBHSA-N 440.548 1.682 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(C)COCCO2)CC1 1300721985 FBCQDVJDYXQRLN-HSZRJFAPSA-N 438.532 1.420 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300957169 OBGXJVYFPGJLTQ-KRWDZBQOSA-N 443.577 1.858 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSCC1 1301499664 DGPNPLABPLDUSI-UHFFFAOYSA-N 428.566 1.308 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2csc(C)n2)CC1 1301520614 JQFXVTVCNHDPKN-QGZVFWFLSA-N 431.566 1.519 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1301555177 UOLDMFZMOLPEEF-OAGGEKHMSA-N 434.541 1.924 30 10 IDEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1302504814 CJNPHLARERFWTF-VPTFNQTCSA-N 431.497 1.669 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1303898591 FHSREQHDZIBRIE-SFHVURJKSA-N 443.529 1.283 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)[C@H]4C[C@H]43)CC2)o1 1308130954 UJWGDDCDYYFJBE-SJORKVTESA-N 430.509 1.197 30 10 IDEE C#CCN(C)CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1312788689 LIDYDCPSGUZUJL-KSZLIROESA-N 449.552 1.166 30 10 IDEE C#C[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCOCC1 1313042883 JVGBGAFJMDPPJE-DLBZAZTESA-N 443.566 1.138 30 10 IDEE CCN(CCCn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1313800615 FFXKDPOESXXGNH-IBGZPJMESA-N 435.529 1.377 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314643362 NURUDMGEKKVIQF-UHFFFAOYSA-N 435.463 1.631 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1315825400 OWHMRHMFIYRCGH-IRXDYDNUSA-N 443.483 1.269 30 10 IDEE CSCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1316478285 ZWMXKTKJYOENKA-JKSUJKDBSA-N 428.566 1.912 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4nccn4C(F)F)CC3)CC2=O)cc1 1318048108 ISIAZOQHSOQIND-INIZCTEOSA-N 428.443 1.847 30 10 IDEE COc1cccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1346064855 KEGWFNSRGCHIHQ-DLBZAZTESA-N 444.488 1.858 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CCOC 1358889664 FKOIKHVBJUXYJE-HTAPYJJXSA-N 427.553 1.698 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358961002 PYVPFGOKDKFTHR-SJLPKXTDSA-N 431.562 1.725 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1359007622 OVGZWWWSXDLBRY-UHFFFAOYSA-N 426.502 1.631 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(Cl)cccc2OC)CC1 1359038345 SRZGWCDVHWDPTQ-UHFFFAOYSA-N 442.951 1.866 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359057104 SEOWOAJDGWJLPZ-OALUTQOASA-N 446.621 1.629 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccco3)C2)nnc1[C@@]1(OCC)CCOC1 1359305698 KRBVTOSBPKDKFD-LAUBAEHRSA-N 431.493 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCOC1 1359331345 WDFUWZISYDDLKT-LJQANCHMSA-N 442.545 1.957 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)CCOC1 1360347659 LDAOTFYNRAQQAZ-YLJYHZDGSA-N 436.582 1.096 30 10 IDEE Cc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)c(=O)n1C 1361271741 ABTOCEWOLZIKLB-INIZCTEOSA-N 431.500 1.539 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)C1=O 1435039266 IRBUDPSIANJEFW-UHFFFAOYSA-N 446.460 1.505 30 10 IDEE CN1CCC2(CC1)CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1452151716 JIFVZABHWRIFRU-SFHVURJKSA-N 425.489 1.086 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CS1(=O)=O 1452960200 IEQNEXGTVZPIHH-QKHJZNESSA-N 425.551 1.855 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)cc1 1454704178 SBAAVRWZSKKAAG-RTBURBONSA-N 442.541 1.796 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1456477937 SBBAJFJKBGJNEL-KBXCAEBGSA-N 431.518 1.176 30 10 IDEE N#CCCCn1cc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c2ccccc21 1456731645 PNZLXXKTSWPCKG-JXORXQGFSA-N 442.541 1.886 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 1471745232 AANBSDLAGRVNES-MAUKXSAKSA-N 442.497 1.709 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1 1472245521 PGCDJOFRWIRVOE-NXHRZFHOSA-N 433.530 1.868 30 10 IDEE CN1CCN(c2ccc(CCNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)CC1 1479605779 WTVJQXKPLDFQLA-UHFFFAOYSA-N 433.560 1.779 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1507537185 GVLSEJBHIYPNPD-PMPSAXMXSA-N 439.582 1.799 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCOC2)c1 1507550279 WITDHSFVTOCLAL-DEOSSOPVSA-N 446.511 1.856 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507572211 BUOOEBGTUOJOHA-UHFFFAOYSA-N 435.467 1.595 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1507653569 ROTAHGMGZGQBKV-QGZVFWFLSA-N 431.500 1.387 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1507691048 ZSYKDBJRGACCIG-KRWDZBQOSA-N 437.610 1.529 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(O)CCOCC1 1507709764 ZKOBLMAGPLIWQE-UHFFFAOYSA-N 442.516 1.734 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1507807469 NJLILHKDBXNPCD-GGPKGHCWSA-N 432.569 1.369 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507857979 YZQYUNBBZJFGIS-HIFRSBDPSA-N 440.932 1.521 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1507954362 MAFIOALTBASVJL-QZTJIDSGSA-N 425.599 1.693 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1508001536 UZXFAOHUZUYVKZ-HNNXBMFYSA-N 430.538 1.258 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@@H]1C 1508034952 YEYXPZMRJLXUHN-VGOFRKELSA-N 429.521 1.769 30 10 IDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1(=O)=O 1508041439 BLHJAKUNDDRPFH-GOSISDBHSA-N 436.582 1.746 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508094493 YHERLXZPOWUBKP-HZPDHXFCSA-N 434.541 1.530 30 10 IDEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508670654 OBMVGTNZEUJGID-AEFFLSMTSA-N 445.568 1.873 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(N(C)C)cc1 1510178908 VWNWKCORBWPIBY-MRXNPFEDSA-N 445.593 1.937 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1c(F)cccc1F 1510217596 IAZUQQJFOFDLQK-QWHCGFSZSA-N 440.476 1.138 30 10 IDEE CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1514401119 HNVBKEGKZJQICR-CYBMUJFWSA-N 433.538 1.613 30 10 IDEE COCC[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1519014269 IFLUFZMMSIZLMP-YLEKHRKWSA-N 430.509 1.519 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1519528344 KULCMUBELTZSBT-QZTJIDSGSA-N 431.518 1.624 30 10 IDEE CSCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1520426644 PEEMFFIJSHQIGZ-PBHICJAKSA-N 446.574 1.196 30 10 IDEE CC(C)C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 1523980667 QRRDYWQCGOWYGN-UXLLHSPISA-N 440.504 1.422 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1539124589 GZZPVWUBBAGBQJ-QFBILLFUSA-N 447.561 1.927 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1539237778 LBCBQVVQSIMBDI-NRFANRHFSA-N 434.562 1.216 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539447957 ZQBLUJABRJYPOC-SFTDATJTSA-N 430.597 1.284 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCCO[C@@H](C)C2)CC1 1539467133 NKYOWMOIVUYPKW-IBGZPJMESA-N 430.597 1.868 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539917548 WFNQQVPALHPEMM-GOSISDBHSA-N 446.596 1.948 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 1540510698 FUMBFARGFSFXLY-UHFFFAOYSA-N 435.893 1.838 30 10 IDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540861439 QZVDIVIDIPRYSR-IAGOWNOFSA-N 430.553 1.310 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(CC)s1 1540871320 IZSZZDYIOOBQMW-ZDUSSCGKSA-N 438.579 1.138 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CCO1 1546769419 FPVGRXBYUSLBEF-KRWDZBQOSA-N 448.549 1.283 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1548315838 AKNGYMCSLATQJU-APWZRJJASA-N 428.562 1.924 30 10 IDEE CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccccc2C#N)CC1 1554478571 AVNYJTDBDYURPP-QGZVFWFLSA-N 441.536 1.336 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OC)c1OC 1555671300 QCEFFXMCZQYSFU-DOTOQJQBSA-N 431.493 1.796 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2cn[nH]c2)CC1 1557094690 HQTBIUIDMAJODJ-GOSISDBHSA-N 444.561 1.207 30 10 IDEE C#CCN(CC(=O)N1CCC(C(=O)NCCCN(CC)CC)CC1)C(=O)OC(C)(C)C 1565618758 KRKODIMEPVJSKG-UHFFFAOYSA-N 436.597 1.943 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1=O 1568184477 UOUHBMQUVIPMJF-HOJAQTOUSA-N 449.573 1.179 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1587561306 CLVUNKLEJDRSLZ-CVEARBPZSA-N 427.534 1.580 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cn2)c1 1587692796 LTCJZPZWBJFIAT-IBGZPJMESA-N 447.474 1.868 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587915533 MSVNOOBNUBTTEG-LIRRHRJNSA-N 438.937 1.691 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588035698 XFXYKQSVCQXTSP-QAPCUYQASA-N 447.517 1.763 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1588064681 MXCZWYWFTRPYBP-IBGZPJMESA-N 437.525 1.645 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1588574937 WROGODAFTPJCMA-FUHWJXTLSA-N 446.577 1.489 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1589559915 VJKXKVURFDGQIL-GCJKJVERSA-N 425.533 1.989 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1593729522 LQQJKDKHKSCSJQ-UHFFFAOYSA-N 443.552 1.347 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1595218459 KRKGMGHBVMLAGG-SFHVURJKSA-N 432.550 1.427 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cn[nH]c2)C1 1597630189 WQOXZQZFWBNTCS-BBWFWOEESA-N 442.524 1.743 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CC(F)(F)CO1 1611697671 YNEWUAXIBTZNHQ-ZENOOKHLSA-N 432.497 1.443 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(Br)cnc3Br)C[C@H]1CS(=O)(=O)C2 1618171599 DNKPFCJCYDCGHV-ISVAXAHUSA-N 449.124 1.617 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccc(C)cc1 1620024143 DRJHJZBEXUYRCQ-HKUYNNGSSA-N 442.520 1.469 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)C1 1620346417 AQAIMIVASUKLLV-KXBFYZLASA-N 425.530 1.971 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1 1620532717 SKQOWKAJIUVYRL-RUZDIDTESA-N 446.507 1.820 30 10 IDEE CCc1c(C(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)cnc2c1c(=O)n(C)c(=O)n2C 1623474665 OMYVSRPBKZAWAU-GFCCVEGCSA-N 432.484 1.838 30 10 IDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 1628366657 KLXWOKDZBSCGNB-MRXNPFEDSA-N 433.486 1.549 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)C2)C1 1630866103 WVEYATKRNSOOHJ-QXGUJMOYSA-N 449.470 1.907 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1633555417 XTEIUODTMIIJJX-BEVDRBHNSA-N 440.566 1.603 30 10 IDEE N#Cc1cn(CC(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c(=O)nc1O 1635763964 CIUIWFUKXHIHKI-CYBMUJFWSA-N 426.383 1.093 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2ccc(OC)cc2)s1 1636365341 ZWNZERHXGGHCGI-SFHVURJKSA-N 438.527 1.794 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1 1638392955 SBGLDJJWVQSSBS-UXHICEINSA-N 432.590 1.793 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCn2cnc3c(N)ncnc32)cc1 1643079708 WDFSWOJWMNVUMX-UHFFFAOYSA-N 429.506 1.035 30 10 IDEE CN(Cc1cc(Br)cs1)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644637109 USFAJAROOWZKLZ-NHYWBVRUSA-N 432.365 1.339 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@H]2CO)CC1 1647757210 JIARFRLXWYUKCH-RBUKOAKNSA-N 432.590 1.710 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1ccccc1 1657641203 LMVQWPQXNDRRCU-MJGOQNOKSA-N 447.538 1.648 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1660692763 FRRIQRBRLMQFTH-CABCVRRESA-N 444.554 1.482 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cn1 1663024244 VWQDPVPARAEGTG-UHFFFAOYSA-N 444.966 1.679 30 10 IDEE C#CCC1(O)CCN(C(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1684431941 OPRSZLSQLKWZAN-INIZCTEOSA-N 429.521 1.834 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)O)c1 1689873307 DJWCFICAGRNQOD-UHFFFAOYSA-N 435.532 1.967 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1689999858 JXBNGXZZXAQWLY-JOCHJYFZSA-N 440.935 1.001 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1690091125 JORJGMLQGLKXQH-SFHVURJKSA-N 442.520 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCO[C@@H]2CCOC2)CC1 1690142527 PRRKPMSOAIQHPG-HXUWFJFHSA-N 438.532 1.502 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1690236497 NNOKYNFDZXZWKA-MJGOQNOKSA-N 439.520 1.575 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1692839635 FHVWRABNHHTKHE-UONOGXRCSA-N 444.521 1.129 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1696756984 NBXMHYLKMHIFNK-XOMICKMZSA-N 437.504 1.729 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1697777163 ZMKJDTSPNTWPQY-QGZVFWFLSA-N 438.467 1.388 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1698167743 JBGXEHQWROQOJR-AEFFLSMTSA-N 445.568 1.224 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1705476488 AVTGLQUNGXRFLW-HOTGVXAUSA-N 446.577 1.291 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705533232 WAJBBVUJADAIKM-HNNXBMFYSA-N 449.606 1.334 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCOCC2)CC1 1705781397 YFOQTRPLOOEWAI-CVEARBPZSA-N 426.587 1.011 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705936365 POSIVIOHJDEXFI-QZTJIDSGSA-N 439.582 1.425 30 10 IDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1706060074 HPMBVJUSDNOBEK-HSZRJFAPSA-N 448.531 1.848 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C(C)(C)C 1706878765 GTDDCCYVCGTDKO-IFXJQAMLSA-N 439.586 1.181 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)OC 1712152142 ABIZUFJUZXSMFJ-LAUBAEHRSA-N 426.477 1.509 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1=O 1712469481 HWKIQNGHIHWJCA-HZPDHXFCSA-N 428.468 1.308 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCSC2)c1 1722309487 NYLCPTDRWBMFTF-HTAPYJJXSA-N 441.557 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N(C)C 1722400884 DAKLASHCCOYQRE-UHFFFAOYSA-N 443.573 1.828 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1722412872 QOIAVDCNOUAPNH-GOSISDBHSA-N 441.561 1.400 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1722786335 IBKDJLWHPIGHNY-APFMSCDFSA-N 441.536 1.519 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1729485126 BCXJPTYSKBAIJI-SFHVURJKSA-N 427.505 1.743 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cc(Br)cn2)cn1 1729568776 GITFJJSOZGXLJX-INIZCTEOSA-N 434.277 1.780 30 10 IDEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1730691545 BYWOYYLXZQGOGJ-SFHVURJKSA-N 445.545 1.372 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1740538239 KWNHEICQXYJNCP-HXOBKFHXSA-N 441.532 1.827 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCCCC2)CC1 1740698720 MHYBFJOECJAHBS-HXUWFJFHSA-N 427.597 1.278 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1740875886 LVXAPMGEMHSAHS-SFHVURJKSA-N 441.561 1.740 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740957080 APKKTWRIRFZEMG-AWEZNQCLSA-N 425.459 1.659 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740963576 OTHBQUATTOAGFO-GOSISDBHSA-N 442.568 1.327 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC(F)(F)F 1740990413 UGINPZRDRDESCR-UHFFFAOYSA-N 435.428 1.605 30 10 IDEE CC(C)(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741239803 HHAJBTUYSPUFFP-RDJZCZTQSA-N 436.582 1.172 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1741801198 YIESXNNSBYHJMZ-RYRKJORJSA-N 444.565 1.678 30 10 IDEE CCCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1745678415 JBLWGNLCSFSYAG-HNAYVOBHSA-N 441.577 1.452 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1748088497 VVPLBGLFFRDAGN-NRFANRHFSA-N 427.509 1.908 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(COC)CCOCC1 1748842156 DWEPIQRCXBMQKI-UHFFFAOYSA-N 425.489 1.522 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCOC)CC1 1749018674 CYZBDSBYFVGFRA-UHFFFAOYSA-N 429.496 1.999 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749049412 KUOPLIQAJUNQSV-RBUKOAKNSA-N 446.621 1.629 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(=O)(=O)CC 1749255551 BVZBPSBSMNJRLE-UHFFFAOYSA-N 446.982 1.972 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1749532931 ZCASBNQPTFHVKD-OALUTQOASA-N 449.515 1.834 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749663387 CLOVFQJFURBZPG-UHFFFAOYSA-N 438.492 1.271 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CC(F)(F)F)c1 1750381840 HIBABWPXRUOQTL-UHFFFAOYSA-N 433.438 1.780 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1750966067 BHIVMEZRLFTNTG-PKOBYXMFSA-N 445.568 1.036 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(C)C)nc1 1752269825 AQBTZMAJKJJKKB-INIZCTEOSA-N 430.516 1.993 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1760137061 FFLZWDIJRWZDNC-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCCN1CCN(c2ccncc2)CC1 1760173907 DVENITCGPNBOOF-UHFFFAOYSA-N 430.560 1.941 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1760187039 SUJLVNXEYAAXGX-WOJBJXKFSA-N 446.573 1.465 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760189105 NMURXESDDSXLPQ-PKOBYXMFSA-N 431.562 1.946 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(C(F)(F)F)c1 1760250715 KVWMXBHJSKMWHN-UHFFFAOYSA-N 436.438 1.949 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCCN2CCN(CC)CC2)CC1 1760257748 HTGNLWGUWSNSTB-UHFFFAOYSA-N 436.608 1.513 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760359294 DXDAREVSWCGEKK-IBGZPJMESA-N 431.541 1.074 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760411737 QZGRQFUFZSLGIY-MRXNPFEDSA-N 445.568 1.005 30 10 IDEE C=CCCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1760444669 NCPVFNZJFBECMQ-VGSWGCGISA-N 446.552 1.663 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)C(=O)C1 1760517494 OABBAYCUPYNELA-UHFFFAOYSA-N 432.912 1.196 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760555353 DGRLCMIHEKUDCF-OKZBNKHCSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1760556812 QRDXAHVMGBDBQB-UHFFFAOYSA-N 449.552 1.667 30 10 IDEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1760933644 MZZVJZUUTGRKCZ-QZTJIDSGSA-N 437.539 1.934 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1761361655 MKMSBEBGXJZXHX-CYBMUJFWSA-N 426.493 1.777 30 10 IDEE CCc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763122672 OXYWCFZDEOQUGH-WPCFGXOUSA-N 441.458 1.440 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(C)(C)O)c2)CCOC1 1765923574 PTNOUWFPKPNXIN-WMZHIEFXSA-N 441.532 1.935 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCNC(=O)c1cc[nH]n1 1767063325 BAYXQIUNGGFCJY-UHFFFAOYSA-N 441.499 1.925 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1769423300 HLLDLILQLZJBKR-SFHVURJKSA-N 438.532 1.962 30 10 IDEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1769707431 DZVIQYLNDPLTJG-QFBILLFUSA-N 447.561 1.882 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4CCCO4)n3CCOCCCO)CC2)cc1 1770740934 YXPHCVMAQYANGC-OAQYLSRUSA-N 440.548 1.722 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2sccc2C1 1771222103 FPXLLIBDABBWLH-SJLPKXTDSA-N 446.577 1.851 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)N1CCCC1 1772564426 YWXVFCODMXVYIT-ROUUACIJSA-N 440.614 1.354 30 10 IDEE N#CCCN(Cc1cccnc1)C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851284958 ONKGYBNDBKQXGL-NRFANRHFSA-N 426.542 1.666 30 10 IDEE C[C@@H](C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC(C#N)CC3)ccc21)[C@@H]1CCOC1 1855862481 OHWLYJKBXJCYID-GDBMZVCRSA-N 431.514 1.699 30 10 IDEE O=C(NCCc1cnc[nH]1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933405 GCOSYDPJFCZSOW-GOSISDBHSA-N 441.488 1.558 30 10 IDEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155268 DXMYMPKADOOHLJ-UHFFFAOYSA-N 445.395 1.980 30 10 IDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3CCN(C)CC3)ncnc21 1873561810 ZMNWYZWOWSICBB-UHFFFAOYSA-N 426.521 1.348 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccs3)CC2)CC1 1890208212 QGOPBXJDMNSOGG-UHFFFAOYSA-N 425.620 1.947 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 1902434983 FYIMLUDBFRFOLX-MOPGFXCFSA-N 435.590 1.920 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1984990667 NMWBCOOAZXVKGM-ARFHVFGLSA-N 425.526 1.637 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2006231411 NHHRYOHCMIAIEK-OLZOCXBDSA-N 427.361 1.822 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2132684076 MWAHPQWFVLTJIY-UHFFFAOYSA-N 449.357 1.856 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N=c1cc[nH]c(C#CCO)c1 2145937638 JNBDOQLIAYDKKZ-UHFFFAOYSA-N 427.482 1.056 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243022206 HCOQKEXGCMFCLQ-AWEZNQCLSA-N 431.530 1.210 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243372830 ROPYTXSFANYOSF-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2248419634 DULDNZYAWINLAE-GHMZBOCLSA-N 438.359 1.747 30 10 IDEE Cn1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255655175 IRKSCIBOUXYVCT-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255659354 QZXGAKZGEKGBCH-IPYPFGDCSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255695390 DJYAHOQUJORHPH-UHFFFAOYSA-N 432.326 1.697 30 10 IDEE CO[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255826403 ANDCTPVBHHTBHK-KBPBESRZSA-N 436.318 1.073 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256067929 VIROUMFZRQIJGC-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)O 2256928551 KQCBXZFJYVKFSX-INIZCTEOSA-N 428.294 1.894 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 2267490568 QAUZILJHGBRDOA-GOSISDBHSA-N 440.353 1.350 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510187 HAUXTPCVVJOFRC-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267520054 JXOXDLPYUARCKF-GJZGRUSLSA-N 448.373 1.918 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2267589995 IQPREOLYRFECQE-RDJZCZTQSA-N 447.341 1.338 30 10 IDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@@H](O)c2sc(Cl)cc2I)CC1 2367814840 KBGIWERUIKSYBI-PSASIEDQSA-N 445.731 1.947 30 10 IDEE C#CCOCCCCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2370336520 INOQBQUBBJUXGC-SFHVURJKSA-N 440.518 1.194 30 10 IDEE CN1CCN(CC(=O)[C@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]32C)CC1 253532868 CZBOZZDZNVIXFC-YDJGZNKFSA-N 442.600 1.813 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c(F)c1 480696591 WNNDZKAZFBPODS-FQEVSTJZSA-N 431.489 1.587 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C2CCCCC2)cc1 484380691 FMARRAHVOYIJQI-OAQYLSRUSA-N 437.562 1.879 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1C#N 489285849 DSQWLOUENODKGY-UHFFFAOYSA-N 439.541 1.547 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OCC)cc1 508924578 YJGYNRFKWHOLGG-GOSISDBHSA-N 435.550 1.832 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2noc(Cc3ccc(Br)cc3)n2)CC1 523639057 WDGVGCSONXYUKS-UHFFFAOYSA-N 434.338 1.843 30 10 IDEE C[C@H](C#N)CN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CC1 533600403 YOTLAZWOMWZWKM-OAHLLOKOSA-N 446.529 1.920 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 544069897 VVDKYHLZQFRUBF-KRWDZBQOSA-N 446.485 1.213 30 10 IDEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cc(C#N)cn1 559189445 JTWYEQPVOBZBFK-UHFFFAOYSA-N 433.490 1.202 30 10 IDEE C=CCn1c(CN2CCN(Cc3ccc(Cl)cc3)CC2)nnc1N1CCNC(=O)CC1 563756457 SQSNFDLFNICCKI-UHFFFAOYSA-N 443.983 1.762 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 569629575 QRYFSKDHCOOGAA-GOSISDBHSA-N 429.498 1.375 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2csc(Cl)c2Cl)c(=O)n1C[C@@H]1CCCO1 572700777 IODXBTGQTBVIHI-JTQLQIEISA-N 444.365 1.706 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)NC[C@H]3CCCO3)cc21 586315049 UYALXQFVIDUNLN-IDJQYWQCSA-N 434.514 1.213 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 589603848 ATZNDEHHDKFJIH-LBPRGKRZSA-N 434.547 1.563 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 603797283 CMIQEWWZEWHAKW-INIZCTEOSA-N 447.944 1.008 30 10 IDEE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN([C@H](C#N)C(C)C)CC1 609459051 OWUABRSMBIIBGF-HUUCEWRRSA-N 437.522 1.732 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 610596526 GWIOYZYLPAHILK-SPLOXXLWSA-N 428.468 1.249 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 610643749 FZBYMTRZHVLDEF-AVRDEDQJSA-N 426.521 1.352 30 10 IDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 619835874 DRZFULWQCIDRAY-GOSISDBHSA-N 435.488 1.778 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(Cl)c2F)c1=O 675286617 AKJFVZDWCGEZHA-UHFFFAOYSA-N 447.919 1.663 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2CC(=O)N(C)C)cc1 680887426 BECGLVOQTTYUSI-UHFFFAOYSA-N 431.517 1.692 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)cn1 730143381 BAPDDYHQVZYXPE-INIZCTEOSA-N 446.533 1.586 30 10 IDEE C#CCN(C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCS(=O)(=O)C1 731212642 AXGJIOLYYJRHSA-ZIAGYGMSSA-N 436.755 1.965 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 731862208 AEOHKTRWKFXDQW-OHTQGHCMSA-N 447.289 1.445 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn3ccccc23)c1=O 732664489 PSFITTNWJCFOJL-UHFFFAOYSA-N 439.566 1.046 30 10 IDEE COC(=O)[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 740186272 ZIYHRGYTYSDHAZ-IBGZPJMESA-N 444.465 1.650 30 10 IDEE C[C@@H](c1ccccc1)N1CCN(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 741341490 QOGWGNTXMKMPOO-AWZKZOKMSA-N 440.500 1.352 30 10 IDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)c1 757018367 PUMGCNHOYOTWJX-JUUUUTHISA-N 428.489 1.563 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CCCCC1 760401167 RJTSMHPSINTPDW-UHFFFAOYSA-N 435.550 1.866 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n(C)n1 768313928 LJZKGEMLCRXPKG-ZBFHGGJFSA-N 444.561 1.331 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 778046346 HTEZNCQGUWSGCV-QAPCUYQASA-N 435.546 1.973 30 10 IDEE C=CCOC(=O)N1CCC(OC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 790840990 GFORLPWSKDRNHV-FQEVSTJZSA-N 441.484 1.792 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2(S(C)(=O)=O)CCCC2)C1=O 795182391 FMNXJRWPIVFPQH-INIZCTEOSA-N 448.570 1.983 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 796655085 JLWFPGOOYRYTFZ-UHFFFAOYSA-N 438.513 1.498 30 10 IDEE CNC(=O)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 797767006 SZRKOCGUMQGACY-KRWDZBQOSA-N 428.514 1.499 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 798806624 BMCZLJQODCRNDV-AYOQOUSVSA-N 426.473 1.953 30 10 IDEE CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 799796407 BQBZPEIGUCVWDL-FMQUCBEESA-N 434.518 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812425740 SEYAPKPDUXXSOU-DOTOQJQBSA-N 444.513 1.337 30 10 IDEE Cc1nn(C)c(C)c1CCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 914767626 MZPUXPRUUZPKDE-GOSISDBHSA-N 431.562 1.849 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2C1=O 916183628 FRENKAXUCDQERF-UHFFFAOYSA-N 442.449 1.749 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NS(=O)(=O)Cc1ccccc1 916807017 CHXUYZHSHZPECN-UHFFFAOYSA-N 449.554 1.932 30 10 IDEE Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 917748816 ZAXCBDIJQSEVOC-ZHZULCJRSA-N 445.954 1.996 30 10 IDEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1OC 1084304045 BKWYUFLZJFCGGL-UHFFFAOYSA-N 444.473 1.841 30 10 IDEE COC(=O)[C@@]1(NC(=O)[C@H](C)n2cnc(C#N)n2)CCc2cc(Br)ccc2C1 1131154158 HBZJQJHUWGEDFJ-BBATYDOGSA-N 432.278 1.690 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1134329873 MSAQNQIPKVTBPO-BETUJISGSA-N 443.319 1.601 30 10 IDEE C#CC[C@]1(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CCCN1C(=O)OC(C)(C)C 1147823778 VIQGURRSUKZCTB-DHIUTWEWSA-N 435.565 1.511 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)C4(C#N)CCOCC4)C3)[C@@H]2C1 1152887106 LPUZXWLVPMULJN-OAGGEKHMSA-N 434.493 1.348 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1F 1158061373 XMFYWFISEZEDRK-ZDUSSCGKSA-N 429.470 1.571 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3ncc(Br)c3C2)c1 1166815197 HGJYBAUTAGGUKX-UHFFFAOYSA-N 425.308 1.766 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](CN4CCCC4=O)C3)CC2)cc1 1167345158 FTJXVXUHLPXGMF-SFHVURJKSA-N 444.557 1.430 30 10 IDEE C=C(C)C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C(=O)OC 1171469275 GMARERXJTZMXFI-UGUYLWEFSA-N 444.550 1.281 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@@H]32)n(Cc2ccccc2)c1C 1197203058 QWUQORIRUUAJSD-IFMALSPDSA-N 435.528 1.943 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 1212074881 KIZPRWYJVDIANJ-UHFFFAOYSA-N 431.474 1.417 30 10 IDEE CS(=O)(=O)CCOc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1219442128 DNEFSJHBRBKLFD-UHFFFAOYSA-N 429.502 1.731 30 10 IDEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1227632816 QHUXEMCMCQKXHO-IAGOWNOFSA-N 439.545 1.666 30 10 IDEE Cc1cc(S(=O)(=O)NCCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c(C)s1 1230590336 UULDDQQOWJLCJN-KRWDZBQOSA-N 436.559 1.890 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1286431197 MSDGGIFLMUVCTQ-LJQANCHMSA-N 431.606 1.765 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286461750 WSAXKTUYJDTKBJ-KDURUIRLSA-N 432.569 1.099 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2COCCO2)CC1 1286472681 BDNIJAWGSXYDBD-IBGZPJMESA-N 426.477 1.414 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CC(OCC)C2)CC1 1286492806 JGOCTTKAFCRMCA-UHFFFAOYSA-N 431.581 1.763 30 10 IDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1286506169 RAJDTHNTOSCOOF-UHFFFAOYSA-N 433.603 1.625 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286712467 ZVGKCHCHOJSOIF-IBGZPJMESA-N 433.553 1.450 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1286773113 HSRPZJKVLPSEIT-CQSZACIVSA-N 428.946 1.369 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1287280225 KZGRFUPZAWDRKL-LJQANCHMSA-N 447.561 1.739 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCc1ccccc1 1288825560 HMTGIFNQHVUWPJ-HNAYVOBHSA-N 436.513 1.547 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)cs1 1290435568 UTOGSJGWAAOBKM-RTBURBONSA-N 445.593 1.600 30 10 IDEE Cn1cc(-c2nc3ccccn3c2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1294942590 FHHFKDCVSZBNGD-UHFFFAOYSA-N 435.469 1.523 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1295339561 SIKOCSKVALIAQE-UHFFFAOYSA-N 449.519 1.238 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)CC1 1297746813 DOKVWCWBMXCWHK-UHFFFAOYSA-N 444.561 1.640 30 10 IDEE Cc1nc([C@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c2cnn(C)c2)no1 1298588469 IWGZKFHGDFPSLH-GOSISDBHSA-N 428.493 1.968 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)nn1 1299673782 CGUHXNFDVWZGDU-UHFFFAOYSA-N 434.703 1.457 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(C)C)c1 1300331761 PXQYZXKZYCEIAZ-INIZCTEOSA-N 446.577 1.991 30 10 IDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300357315 MWAIWXBIGLCGQM-UHFFFAOYSA-N 437.548 1.625 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300488563 SNTALTWDNQRZND-OAHLLOKOSA-N 429.531 1.175 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1300495460 HYKOPGKTQIYYGP-HOTGVXAUSA-N 426.608 1.940 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300496885 VUAUXWNSCPIDEK-RBUKOAKNSA-N 446.577 1.312 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1300506075 MCTVPKGTOHNAKB-IEBWSBKVSA-N 430.530 1.705 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1300544866 HHYNSQJDTMXDCK-SFHVURJKSA-N 429.484 1.342 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC=C 1300574474 BKELJLPLGDGDKZ-UHFFFAOYSA-N 439.545 1.003 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1300732259 ABHBEILFIWWYRP-NVXWUHKLSA-N 441.623 1.650 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1300815792 BMNJHRSEVLMZQC-HSZRJFAPSA-N 434.500 1.580 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301064669 ZJCUXSUZJZNURH-CZIZESTLSA-N 448.487 1.608 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1 1301297940 WKTBWBBBRSFBPA-KRWDZBQOSA-N 439.513 1.429 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CC(N)=O 1301577928 VACZYEGIXQHLHR-HNNXBMFYSA-N 442.545 1.794 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1301879172 AWDRVZYBMFMJQV-UHFFFAOYSA-N 426.521 1.568 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1301966016 RBWBIEITPYOPRH-AWEZNQCLSA-N 427.509 1.908 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)OC(C)(C)C 1302287214 RDMBEWIAWBKFGW-AVYPCKFXSA-N 438.504 1.969 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOc2ccc(F)cc2)CCO1 1303003280 DSJMNICAPBWXQM-ZWKOTPCHSA-N 428.468 1.956 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1303772165 WEVQRZBINLWHBM-FHLIZLRMSA-N 433.534 1.226 30 10 IDEE Cc1nc(C)c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)s1 1304638102 CMGHLCWQPBWPMI-ZDUSSCGKSA-N 437.595 1.944 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1306628791 HAQCNVJIWUAEBE-SKOAFDGASA-N 430.509 1.314 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@]2(CO)CCCN(Cc3ccccc3)C2)CC1 1308066273 VOBZLQNLSGLXJE-ISKFKSNPSA-N 427.593 1.295 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)OC)CCOC1 1314118289 DPRAUKVBNXMBLA-QFIPXVFZSA-N 442.520 1.890 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1314506409 WLQJDQOQLXLAPI-SFHVURJKSA-N 433.534 1.493 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315053247 PCSDGVQBWOPBMH-UHFFFAOYSA-N 447.499 1.837 30 10 IDEE COc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1315660074 XSZFYKLGVRLRSX-UHFFFAOYSA-N 443.485 1.613 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1316532489 PGTHFXMEATVSPD-RVKKMQEKSA-N 446.449 1.877 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1358919145 SRIKSNGCOPPVBR-SFTDATJTSA-N 441.624 1.922 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCN1CCSCC1 1358982853 MVCYNVFYZQQGPU-UHFFFAOYSA-N 425.558 1.987 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CC2)CC1 1359030814 GUVXSQVFUJUCCA-UHFFFAOYSA-N 427.505 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOC(C)(C)C)CC1 1359039956 CBWZDMWRPLXRSF-UHFFFAOYSA-N 430.553 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1359043265 NWCYGMIVJXBLCL-HXUWFJFHSA-N 434.500 1.198 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1 1359089955 SCBMWXMDVMDIDT-BZSNNMDCSA-N 430.553 1.458 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1360273700 BLKIZEZAUYTOGZ-SFHVURJKSA-N 444.561 1.745 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCCCC1 1360693138 FPPVRMMBUCNGPW-FXAWDEMLSA-N 437.614 1.894 30 10 IDEE C#CCN(C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1442018892 PVZNGEKTYNVAGG-HZPDHXFCSA-N 428.551 1.788 30 10 IDEE C#C[C@H]1COCCN1C(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1451195469 NLHRRHGWBCYYNX-SJORKVTESA-N 442.541 1.405 30 10 IDEE C=C[C@H](CO)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1453928861 DWTIZZBMNRBFQX-MRXNPFEDSA-N 447.513 1.512 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)OCC 1454716945 YTBPUPBEKWEOJE-RDJZCZTQSA-N 444.937 1.948 30 10 IDEE COCc1ncc2c(n1)CCN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)C2 1460621643 YRLNVKNBJZADHS-SFHVURJKSA-N 426.546 1.452 30 10 IDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1=O 1466737720 RTYUUTIBBMGCIZ-ZBFHGGJFSA-N 446.504 1.679 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)F)c1 1503405129 GIKZCPSMIRLJDV-ZDUSSCGKSA-N 444.439 1.486 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1503461485 CGTZZOFSFCLYGN-RTBURBONSA-N 444.561 1.714 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1503888795 FVXBSQKUOARIIK-IBGZPJMESA-N 440.504 1.901 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504604717 ITRMDCTUHVFNLT-FUHWJXTLSA-N 446.531 1.744 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1504974873 PIOHJTIVVZQLRG-UWJYYQICSA-N 434.541 1.381 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN1S(C)(=O)=O 1505055782 CZEGGWLBPSLLGU-NXOAAHMSSA-N 440.570 1.164 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1505322042 HGZMPKUFBFTTOL-FUHWJXTLSA-N 446.533 1.227 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1507592348 SNUKVPLQHGXXJH-HXUWFJFHSA-N 427.597 1.637 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1507652758 LCCATESQIQPKCR-MRXNPFEDSA-N 444.337 1.741 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507810151 WBQKDZGDSGMKMX-GJYPPUQNSA-N 437.566 1.005 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507839367 CVMVCLCLOGHLTL-QGZVFWFLSA-N 436.582 1.642 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1507853035 GFHNCJNYDVPHJQ-DGCLKSJQSA-N 429.934 1.716 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1507967242 DPNXSDICXRNJOK-AWEZNQCLSA-N 430.575 1.768 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1508041397 OJCQKQMVXDHJJY-JOCHJYFZSA-N 439.520 1.299 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508134589 UFQXMXYWZNFIJG-QFIPXVFZSA-N 443.573 1.825 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)cs1 1511545256 HOPLJDKSWOFUPF-OALUTQOASA-N 445.593 1.719 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(N(C)C)CCOCC2)n1 1511695619 FTPUVTUOAYDZNB-HXUWFJFHSA-N 430.532 1.693 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)c1 1518058344 YSTVFMPLZCNXAG-SFHVURJKSA-N 433.534 1.807 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(C)c1 1519150081 CYKSPCFTFGVPBS-LJQANCHMSA-N 434.504 1.536 30 10 IDEE CCCOc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OCCCOC)c1 1538539914 ORAQYWINJPJFFP-KKSFZXQISA-N 436.530 1.901 30 10 IDEE COc1ccc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1Br 1538540109 RTEVDRKWCAVVEA-GUYCJALGSA-N 427.320 1.787 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1539013151 IAAWAKRTUOQZKE-GJZGRUSLSA-N 432.502 1.446 30 10 IDEE CN(C)C(=O)Cn1cc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1539062278 BEPYSFJTJMIWMN-YUMQZZPRSA-N 449.302 1.609 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1539171101 GJMJOJJMJVSOTD-UHFFFAOYSA-N 440.529 1.086 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539215987 MNWVALKLYREZAO-KRWDZBQOSA-N 446.577 1.549 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCCNS(C)(=O)=O 1539392100 LZCXCVCOWOYDGB-GOSISDBHSA-N 435.525 1.848 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)NC 1539564171 WOYCNXXNBOFZGG-OAQYLSRUSA-N 431.562 1.613 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1539735131 FZXBWKLHGUFPOV-INIZCTEOSA-N 427.505 1.976 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCN(CC)CC2)CC1 1539854229 OJASHPXSGGLGPH-UHFFFAOYSA-N 429.613 1.975 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2ccccc2o1 1540863451 WURJZWYAQLMBEF-AWEZNQCLSA-N 446.533 1.573 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccsc2)CC1 1540868922 WOUBRYBGZQNZEU-UHFFFAOYSA-N 426.550 1.365 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)OC1CCCC1 1540901813 QAHUVPSNQFZEGL-UHFFFAOYSA-N 437.522 1.917 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C1CCCCC1 1540905638 UUGFQNDMEMVHFY-INIZCTEOSA-N 444.623 1.940 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCNC(=O)c3cccnc3)C2)C1 1541060823 AJZKOPNGXXWKLW-PSCUFVCCSA-N 427.505 1.714 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1541115606 BSAJBAQTPPZJQU-CVEARBPZSA-N 446.581 1.337 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1541132586 GGZPDJBKSDVDAK-MRXNPFEDSA-N 425.493 1.437 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1544055167 VWXUCRMRNOJCRH-AWEZNQCLSA-N 425.532 1.159 30 10 IDEE N#Cc1ccc(OCc2cccc(C(=O)NC3(C(N)=O)CCS(=O)(=O)CC3)c2)cc1 1544950220 QETRBOYXQQXVGP-UHFFFAOYSA-N 427.482 1.300 30 10 IDEE CN(C)CCCN(C(=O)c1cccc(C#N)c1Br)[C@H]1CCS(=O)(=O)C1 1545269185 AINPFOIMDUYSRC-AWEZNQCLSA-N 428.352 1.902 30 10 IDEE CCN1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1547728080 HOPTYYSLCSSBTN-JOCHJYFZSA-N 448.575 1.963 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1567388518 ZBRZTZJOHMHSCY-WPLACJGDSA-N 438.525 1.622 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)ccc1F 1569043837 KVXBNLROXKSGDX-MRXNPFEDSA-N 449.508 1.058 30 10 IDEE CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H]1CCCN(O)C1=O 1569676008 MYMPCRNVTSKPBE-CABCVRRESA-N 441.326 1.913 30 10 IDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](c1ccccc1)c1nc[nH]n1 1570179985 AANBXDDUQUDKFW-IBGZPJMESA-N 438.513 1.871 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1588030661 ZHDJYMKNDZBBEL-SBSDFTTDSA-N 428.518 1.518 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1588044989 FBJFOPJIHBZYMX-GOSISDBHSA-N 439.541 1.859 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1588113932 VWLJPFSQRCXFOL-DEOSSOPVSA-N 437.544 1.882 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1589078741 YKSNXPBNXPZULM-UHFFFAOYSA-N 449.527 1.809 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1589513783 BSQVSPYXKAWEJC-GHTZIAJQSA-N 441.580 1.901 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1Cc1ccc(C#N)o1 1613545103 AXVASMVSPRPBJI-SUMWQHHRSA-N 425.493 1.424 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1Cc1ccc(C#N)o1 1613588183 AIBWMSPAZMJSTO-UHFFFAOYSA-N 425.493 1.520 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1616613580 BKFAIQKVVDXEMW-GOSISDBHSA-N 448.549 1.283 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@H]1COCCO1 1619913131 VCWQFDXMEKUUHP-FXAWDEMLSA-N 443.504 1.963 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 1623867862 WERFLQYEXNFHBR-VXKWHMMOSA-N 426.561 1.793 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 1625472230 GOBKCOVMAOEQMZ-ROUUACIJSA-N 435.546 1.201 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)COC1(C)C 1628386292 SRODFSCCRPTZOI-MGPWXQLLSA-N 436.509 1.781 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CC[C@@H](O)C2)CC1 1633355665 MFJZCCZNXLIZNX-MJGOQNOKSA-N 448.589 1.342 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)c1cc[nH]n1 1636251165 HGMYEFGBDLVQJF-AWEZNQCLSA-N 437.497 1.455 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCC1(O)CCN(Cc2ccccc2)CC1 1636808363 VQZVXUJHXLBNTI-DQRAZIAOSA-N 426.517 1.436 30 10 IDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1639599301 SSWIGKLYKFFMRM-IBGZPJMESA-N 427.461 1.947 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc2n1CCOC2 1640247128 UJSNTERBIZRLAZ-INIZCTEOSA-N 431.518 1.327 30 10 IDEE CCOC(=O)c1[nH]cnc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1647899295 GRKMLAHLMMDSAW-GJGORFQUSA-N 431.493 1.989 30 10 IDEE C#C[C@@H](NCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCCO1 1654218841 PQSPKKHDANKYDX-WOJBJXKFSA-N 435.546 1.041 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCS(=O)(=O)c2ccc(C#N)cc2)C1 1654414244 ABCNWPYUFKSMRB-UHFFFAOYSA-N 448.545 1.143 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 1654466350 WRWNMPPVBIHEME-OAQYLSRUSA-N 425.514 1.175 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(c3cnc(C#N)c(C#N)n3)C2)CC1 1655010922 QBNLXQQJNUZILH-HNNXBMFYSA-N 425.493 1.516 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)CC1 1658448619 WNHIUNFNXVFNAX-UHFFFAOYSA-N 435.550 1.222 30 10 IDEE C#CCCOC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1659258265 ODUWESZQWHJECI-UHFFFAOYSA-N 438.506 1.907 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1665426703 PURHVGNCQCGBCH-DOTOQJQBSA-N 439.534 1.709 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)NCCS(=O)(=O)N1CCOCC1 1672209614 HDWZOLCAXFSHHJ-UHFFFAOYSA-N 448.339 1.797 30 10 IDEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1675939289 YYVLGWCKHMJRID-NHCUHLMSSA-N 433.512 1.900 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1684015356 WEGLXGRDTSQIGN-UHFFFAOYSA-N 442.545 1.376 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689978382 UGJUVLZEYGMZSX-MRXNPFEDSA-N 430.534 1.598 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1690119345 BCIFJLYUDPKDGZ-KRWDZBQOSA-N 433.482 1.980 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690308117 BIDKYNGOZNUJMP-SFHVURJKSA-N 427.509 1.155 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2CCCC[C@H]2C1 1690727125 URVMDORFBAIGIL-IBGZPJMESA-N 430.578 1.539 30 10 IDEE CC(C)(C)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)on1 1691116731 UYBNPFFOUMVJBL-HNNXBMFYSA-N 436.476 1.988 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1692657930 STPDGXFAFJTFLN-CQSZACIVSA-N 434.522 1.394 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1692661135 CLYPWCLMNPSTOK-DLBZAZTESA-N 436.582 1.711 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1694783513 FWACASBKMZCMIT-WOJBJXKFSA-N 437.548 1.378 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696377678 PHJUDFWETUCXQU-UDJKBAMHSA-N 425.493 1.662 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1696617857 TVMXFWYCFKWZIT-VQTJNVASSA-N 426.521 1.847 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1698298658 STEOYUAAIFZJAU-MSOLQXFVSA-N 431.518 1.246 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCO)CC1 1698488768 LWJOKBXGUYHRAU-UHFFFAOYSA-N 437.548 1.875 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1705565579 HRDBVQBVVQWWKX-INIZCTEOSA-N 444.467 1.688 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705566949 SATUWYQAEVFRTB-AZUAARDMSA-N 442.589 1.615 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CC 1705576820 QRZRTTITSONBRN-OAQYLSRUSA-N 429.546 1.429 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C)c2)CC1 1705643707 PTHSIHDQBIHUFJ-UHFFFAOYSA-N 434.544 1.837 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705652175 RQGPBLFIIYXXSV-UHFFFAOYSA-N 431.566 1.401 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705660524 XMRJNFVMTAILKL-KRWDZBQOSA-N 441.623 1.794 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705935320 NOGDPKVSIMILER-OAHLLOKOSA-N 436.534 1.512 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705943624 GQZKDNVFKFKYCT-KRWDZBQOSA-N 442.593 1.882 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1711432205 JSZBLTWUNJWLPD-IGGDJGDASA-N 442.520 1.852 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1722363817 VUDONDNRFRSAGM-HXUWFJFHSA-N 441.557 1.996 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1722387951 SLKXYYDYAGEAAX-WJOKGBTCSA-N 437.569 1.904 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722699255 SWRFKZHFDLIUOA-UHFFFAOYSA-N 431.585 1.897 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1722783812 KRINFAAXBCSSAP-BLRPHQBRSA-N 449.515 1.529 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1723090357 IOASVOXQLQYMPH-CEXWTWQISA-N 435.532 1.745 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1723933949 VNIIBMYOSYNZPG-GDBMZVCRSA-N 448.549 1.654 30 10 IDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1724035773 SJCBILRRQYANEZ-VZCXRCSSSA-N 447.499 1.958 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1740610535 DYDFNRHFQULJSC-CYBMUJFWSA-N 442.467 1.037 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1740623834 BNRPRVKJBMZROS-GBESFXJTSA-N 436.578 1.177 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC=CCO2)CC1 1740699069 ZMSWPZWRFVSCHL-LJQANCHMSA-N 441.557 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(F)(F)F)CC1 1740703358 PELRAZDQZHPIMA-GOSISDBHSA-N 429.443 1.458 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)CCOC)CC1 1740708646 XBHZZVUNZBJKOH-QFIPXVFZSA-N 445.589 1.684 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740720351 VTIHYYVKINKFHC-OALUTQOASA-N 446.621 1.314 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740885502 IKGCGZRVSZPUAC-RDJZCZTQSA-N 444.540 1.397 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740961521 DLOJGQPBGPBHHP-UHFFFAOYSA-N 449.490 1.558 30 10 IDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966054 VQFUHMBVSXZBIU-OKILXGFUSA-N 430.513 1.828 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1748811382 FRHSNOCLFZCAMM-AWEZNQCLSA-N 427.477 1.192 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748814967 MGLPWTXILKISJM-HKUYNNGSSA-N 435.594 1.283 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCOCC2)cc1 1748877144 FPCNNTUNHFPRSU-SFHVURJKSA-N 429.477 1.136 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCn1cnnn1 1748940973 UDLDMTCYJQJGSD-UHFFFAOYSA-N 425.472 1.272 30 10 IDEE C=C(Br)Cn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1749112946 SDBRWMYGNOGDRY-ZWKOTPCHSA-N 443.342 1.835 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1749127926 PVVWKLMYMMWCCV-LXZJYRNTSA-N 433.553 1.841 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749199508 UHLDYGKQSCNQNP-IBGZPJMESA-N 443.596 1.500 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749655320 HSUCZWDNMGFNGC-HNNXBMFYSA-N 427.465 1.118 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749734705 LBHDXUDMDDGAPU-DLBZAZTESA-N 439.582 1.124 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)CCOC1 1751025284 APJKDXOAEQATFC-WAOWUJCRSA-N 435.525 1.243 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1cccc(C)c1 1760174699 GZZZRDGDFKCQIK-PKOBYXMFSA-N 431.562 1.793 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1760191732 MMFLBRFGKHUKOH-KRWDZBQOSA-N 436.607 1.520 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCS2)CC1 1760268905 QZJJHPCKHXKZDC-DLBZAZTESA-N 430.578 1.481 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760281918 ZUQMGVMOJHVMCB-QGZVFWFLSA-N 447.586 1.636 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760287296 NABKHVRXJZWAOG-OEMYIYORSA-N 436.578 1.753 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1760464123 ABIIXSWYJGNGDF-CQSZACIVSA-N 426.568 1.300 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1760490231 SCEKHRZZPIYVKA-GBESFXJTSA-N 427.553 1.657 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760528629 IJUIPEJQJNQAEE-LDJQZATESA-N 430.553 1.215 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)n(C)c2=O)C1 1760548029 XAHIRLCHGHCBEV-ZCNNSNEGSA-N 443.548 1.839 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760555687 KNTULJNVUOUOPF-ZWKOTPCHSA-N 439.582 1.473 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760555871 PPRKNFBRASXHKA-UHFFFAOYSA-N 444.561 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760556776 PQYQTECZXSMGMC-PKOBYXMFSA-N 430.578 1.538 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760863513 CZGDLCWHQDJYCI-JOCHJYFZSA-N 433.520 1.735 30 10 IDEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1762352722 ZXZDENLGLXPHFU-SFHVURJKSA-N 431.566 1.906 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1763950701 CRCJXZHGOKZXSU-RXVVDRJESA-N 445.545 1.372 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC(C)C)cc1OC 1764594130 CGBVKRHRNKWYEW-KRWDZBQOSA-N 442.520 1.996 30 10 IDEE CCCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1766251812 CMYMGEDZJYHWQG-QHCPKHFHSA-N 448.531 1.848 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1769494240 DARMSJMYQJQNLT-UHFFFAOYSA-N 439.520 1.427 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1770050189 IRLVLMINERUAIH-PMPSAXMXSA-N 438.529 1.644 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H]1O 1770626941 KQVWZHGFFOLTDM-CJNGLKHVSA-N 434.447 1.317 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1770802851 MRXGZKWCJSMCOT-AOIWGVFYSA-N 442.495 1.676 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1772564704 XUVDYGWXBFVBFF-SJLPKXTDSA-N 446.577 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1772660312 ZSRIJDVYBJKCOK-ROUUACIJSA-N 440.529 1.132 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772790608 RCFNTZZYWCPQSH-CYBMUJFWSA-N 432.458 1.182 30 10 IDEE CC(=O)N[C@@](C)(C(=O)ON1C(=O)c2ccccc2C1=O)c1ccc(S(C)(=O)=O)cc1 1772790954 WCTPOCZINDYNCL-HXUWFJFHSA-N 430.438 1.196 30 10 IDEE CCC[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1772860258 XKVFASNMPJMQFP-YOEHRIQHSA-N 436.538 1.749 30 10 IDEE COC(=O)C1CCN(C(=O)CCC(=O)N=C2C[C@H](C)N(c3ccc(Cl)cn3)N2)CC1 1851741787 RKAZGVRIZVWMIU-ZDUSSCGKSA-N 435.912 1.955 30 10 IDEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ncc(C#N)cc1Br 1852438340 KVNRJZUPAPNRFW-UHFFFAOYSA-N 433.266 1.741 30 10 IDEE O=C1Cc2cc(S(=O)(=O)NC(=NOCCN3CCOCC3)C3CCCC3)ccc2N1 1853530393 OSTZXQIAGQRBAR-UHFFFAOYSA-N 436.534 1.312 30 10 IDEE N#Cc1cc(C(=O)N2C[C@H](CN3CC(S(=O)(=O)C4CCCCC4)C3)CC2=O)ccn1 1853977667 XRJKTUCFLWGUKT-HNNXBMFYSA-N 430.530 1.374 30 10 IDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)[C@H]1C 1854130097 OEXLUPFZCIUBLM-OAHLLOKOSA-N 429.473 1.997 30 10 IDEE C[C@H]1C(=O)N(C(=O)COc2cncc(Cl)n2)CCN1CC(=O)c1ccc(C#N)cc1 1855122539 RZELJMUDHOIFJA-ZDUSSCGKSA-N 427.848 1.323 30 10 IDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)[C@@H]2Cc3ccccc3O2)C1=O 1857084993 YDXKCLWHOFJXSY-LIRRHRJNSA-N 425.466 1.859 30 10 IDEE CNC(=O)COc1cn(C[C@@H](C)O)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870303607 BWUWOICMLYEIHY-GFCCVEGCSA-N 430.530 1.838 30 10 IDEE Cc1[nH]nc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1Br 1889406139 GDRHNZPZYQQGBM-UHFFFAOYSA-N 438.370 1.353 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243373887 ZCSIBNAQQALERE-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCNC(=O)OC(C)(C)C 2243393751 XRTRWGNRUKVWBT-UHFFFAOYSA-N 427.332 1.937 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)O2)C1 2255599170 WQJPBCWIWJOJJH-HNNXBMFYSA-N 436.314 1.142 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255632654 PNXPPQRAMLHKMN-CYBMUJFWSA-N 438.334 1.009 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2255788363 OCVIQNKSMVQHKW-CYBMUJFWSA-N 438.305 1.740 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256911772 HEKLJCOSSRHOCY-KRWDZBQOSA-N 428.294 1.894 30 10 IDEE CN1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267015449 OXAPFKZHEMWSSF-INIZCTEOSA-N 449.357 1.860 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267197297 XJRAOCNVYOLBJL-YUELXQCFSA-N 448.329 1.073 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267808759 CLDAQCGDPIRHIV-NVXWUHKLSA-N 448.325 1.401 30 10 IDEE NCC#Cc1c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc(F)c1F 2283223961 NKJDOBKMEIMMOY-UHFFFAOYSA-N 433.436 1.703 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(NC(CO)(CO)CNC(=O)OC(C)(C)C)n1 2315389943 IXFIBMASGVDDKU-UHFFFAOYSA-N 437.346 1.349 30 10 IDEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2317456866 AMLYXXKAQAFAEP-OAHLLOKOSA-N 436.314 1.819 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)C=Cc2cccc(F)c2)C1 2328074890 ZCYQMPTWRUDKLW-YLJYHZDGSA-N 435.455 1.941 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2337205632 CJQHSUDOPGYKLC-RBSFLKMASA-N 446.357 1.847 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@H]2NC(=O)OC(C)(C)C 2337206606 PTEGSIPJGCKJQK-BJCXIENYSA-N 446.357 1.895 30 10 IDEE COc1nc(N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786176 HMSCCPJZUWBDDP-LSDHHAIUSA-N 449.357 1.854 30 10 IDEE Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 28961580 QAONCEFOSNLZES-UHFFFAOYSA-N 430.505 1.629 30 10 IDEE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C#N)cc4)N[C@](CO)(C(=O)O)[C@@H]3C2=O)cc1Cl 248139276 DZAYYWUWSCLWTA-ORGXJRBJSA-N 439.855 1.786 30 10 IDEE C[C@@H](C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)n1cnc(C#N)n1 409723823 VOTSPFXFLYZZRW-NSHDSACASA-N 440.323 1.842 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)c1C#N 460886401 VYKHWPQDZYUENY-UHFFFAOYSA-N 445.524 1.726 30 10 IDEE N#Cc1ccc(OCCNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 462413005 WCRKPQJNXRSNHH-UHFFFAOYSA-N 435.527 1.700 30 10 IDEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473442642 QRMKGOZUVHYGMA-RDJZCZTQSA-N 433.873 1.917 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)c1 478755649 ODLDGDPUNVBXQO-MOPGFXCFSA-N 438.549 1.896 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCc3ccnc(O)c3C2)CC1 494144382 GNBQFGGQYKZPBA-UHFFFAOYSA-N 434.456 1.614 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@H]1CCCO1 514329425 BLNCADKQNZAWEP-QGZVFWFLSA-N 427.526 1.127 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)cc1 522289993 GDQRKRNOSIRHOM-UHFFFAOYSA-N 443.529 1.735 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1Cc1ccccc1 531683968 RKRIFTDVOMQWIZ-UHFFFAOYSA-N 437.546 1.833 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1C[C@@H]1CCCO1 531815601 MXPWSMKBWDUSJY-AWEZNQCLSA-N 425.535 1.553 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCO2)CC1 549501483 JDFNNWFCPLBESG-SFHVURJKSA-N 430.578 1.534 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 549639203 SCFJOJWSGBWCCM-MRXNPFEDSA-N 425.555 1.337 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(Cl)cc(Br)c32)C1=O 554945509 DUBIPOMIYPQMIB-UHFFFAOYSA-N 426.654 1.968 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)C3CCN(CC(F)(F)F)CC3)CC2)o1 568904466 KRUCDMFPUXKXNF-CQSZACIVSA-N 442.486 1.756 30 10 IDEE CN1C(=O)N(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C(=O)C12CCCCC2 603591919 PDZIMQZWBQTAQL-UHFFFAOYSA-N 440.504 1.669 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 603923041 IGLUTYZOMILYPY-AWEZNQCLSA-N 437.443 1.357 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 732465449 FIFCXCDOCJGFBZ-HTXNQAPBSA-N 446.895 1.622 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c1 732652119 NPWQRQITAKPECE-FQEVSTJZSA-N 444.557 1.489 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2ccc(OCC#N)cc2)[C@@H](C)O)cc1C 733375830 JKXLFWSJBWQWOV-OXQOHEQNSA-N 432.498 1.977 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 750433605 CWQKZVJXOQZVNW-UHFFFAOYSA-N 441.509 1.318 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCS2)cn1 757369797 FPFRTJYOCDLDMG-JKSUJKDBSA-N 438.623 1.798 30 10 IDEE O=S1(=O)N/C(=N/Cc2nc(-c3ccnc(N4CCOCC4)c3)no2)c2ccccc21 761736175 UZDPPYNCNUBXRT-UHFFFAOYSA-N 426.458 1.207 30 10 IDEE C#CCN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 769715737 CUYABHCRRZLESH-GFCCVEGCSA-N 434.333 1.115 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 771642948 DPQDOVSSAMYIIJ-GOSISDBHSA-N 431.489 1.979 30 10 IDEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)N(C)CC)cc1 774277538 JAGLWOKIDQFBKE-GOSISDBHSA-N 447.605 1.727 30 10 IDEE N#CC1(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCN(Cc2ccccc2)CC1 778109742 AURXJPBTZINTTM-UHFFFAOYSA-N 425.514 1.159 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncn(Cc2cccc(F)c2)n1 781105657 XKLVKIZJMNZTGV-UHFFFAOYSA-N 442.476 1.211 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781137791 YEJPHIYILYHVTP-UHFFFAOYSA-N 431.521 1.469 30 10 IDEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 798747583 KIZSYKDKDXZPCF-ZJUUUORDSA-N 436.350 1.647 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCc2cccnc2OC)C1=O 809944513 YBIVWSGDNRGTMN-YEUWRSSNSA-N 427.530 1.707 30 10 IDEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C#N)n(CCc2cccnc2)c1=O 814249769 AFKCAYAMDNSMOV-UHFFFAOYSA-N 438.516 1.975 30 10 IDEE CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]2C[C@H]2C1 815365798 KLIDSBOBJVAWLZ-IRXDYDNUSA-N 431.514 1.371 30 10 IDEE CCn1c(COC(=O)CC2(C#N)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 815412360 AIILFWWSAFVLDB-UHFFFAOYSA-N 432.502 1.814 30 10 IDEE C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1135889512 LOTCUKXHFQBJDI-MRXNPFEDSA-N 442.520 1.070 30 10 IDEE COC(=O)[C@]1(c2ccccc2)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1141456763 FQKKYWPAMNPULW-OAQYLSRUSA-N 427.482 1.180 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OCC 1151574538 TVAWRUUYBIAJOV-HNNXBMFYSA-N 430.910 1.981 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1155474240 DMXQCNXAGHCZTE-SJORKVTESA-N 439.490 1.762 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2nc(C(F)(F)F)cc2C1 1157948154 ZQGNPHSQULZGEG-NSHDSACASA-N 427.408 1.483 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1213847461 WFTSMJINQNLKCB-HXUWFJFHSA-N 439.534 1.253 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1286296270 NVAADNUPCCNPBY-DOTOQJQBSA-N 446.552 1.571 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1286348022 SQJHQJFKBJBZAW-QGZVFWFLSA-N 438.536 1.912 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1286389389 JDLAUGSKYNOSRP-NVXWUHKLSA-N 431.518 1.114 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1286420834 TWQHZAQYYUDJHR-INIZCTEOSA-N 433.509 1.569 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCNS(C)(=O)=O 1286561591 BZVGXTLCKSUZAW-FUHWJXTLSA-N 439.607 1.897 30 10 IDEE C=CCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286775243 WVTVTDZEEUBOKP-OAGGEKHMSA-N 437.566 1.543 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 1286784047 VCHUKVFUEULVKG-HNNXBMFYSA-N 440.504 1.110 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286791172 OLZKZPWUBGEQNR-UHFFFAOYSA-N 426.587 1.029 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccn(C)n2)C1 1286812209 KLZWMBJDSDFTKP-MRXNPFEDSA-N 427.534 1.833 30 10 IDEE C=CCn1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)nn1 1289462845 MAFDEEQQSZWVLK-AWEZNQCLSA-N 437.241 1.382 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1)C(=O)OC(C)(C)C 1292266233 ADTCYWURDZRJTN-UHFFFAOYSA-N 429.517 1.779 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(OC3CCOCC3)c(Cl)c2)CC1 1292890037 TUELGFHRHAEDEG-UHFFFAOYSA-N 434.924 1.190 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)s1 1295201000 IQOGGBKTYAATSK-OAHLLOKOSA-N 433.555 1.956 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1297607157 XHARHZXLBDMBKU-QHCPKHFHSA-N 437.548 1.454 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300492835 OWWCYNXKVYCJAN-ICSRJNTNSA-N 448.637 1.056 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300497194 XVANHNWFIBRGLE-ZWKOTPCHSA-N 432.521 1.791 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1300557198 QLTDHLAASPYSTD-MRXNPFEDSA-N 442.545 1.358 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1300698715 YVUUWNHFITUXRB-PMACEKPBSA-N 439.539 1.426 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1300780775 WPOFYBIRIXBGKS-LLGFUMIMSA-N 445.593 1.963 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OCC)CCOC1 1300894509 DIEULAXDHOVFEP-UWVAXJGDSA-N 440.566 1.146 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCC(C(N)=O)CC1 1301519638 RBRDIVUKVRWCIW-UHFFFAOYSA-N 444.561 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1301596803 ZERMKBMSBTZNSA-QFBILLFUSA-N 444.623 1.863 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301713967 PGUJPOVEGDOUCQ-RTBURBONSA-N 440.504 1.899 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(OC)c1 1302310507 AGPYDAWNNOIQJB-QKLQHJQFSA-N 443.504 1.796 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1302310718 CQHIOLIQDMJQIG-WCIYBSDLSA-N 445.520 1.848 30 10 IDEE Cc1ccc(C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1302656498 SKUAGJOHWRSJAG-UHFFFAOYSA-N 438.509 1.424 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2cccc(Br)n2)CCO1 1303004493 PXVDIGUKDKGGST-CYBMUJFWSA-N 427.266 1.670 30 10 IDEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1cc([N+](=O)[O-])c(C#N)n1 1307375443 PDCWIGZZHQWJNW-UHFFFAOYSA-N 435.238 1.831 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1313636298 HHNRMVQVCICLPV-OAHLLOKOSA-N 439.586 1.277 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1313721344 YZERVRWOXACETK-GOSISDBHSA-N 439.564 1.842 30 10 IDEE COC[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1315943841 UFLHNLOBBPYQDV-VHJGWARJSA-N 432.525 1.243 30 10 IDEE C=CCO[C@H]1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)C1 1323785498 MLMWDEYGYPQUIO-INIZCTEOSA-N 443.485 1.887 30 10 IDEE COC(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1 1354816625 DEUOXGQWXPAREO-PTGBLXJZSA-N 430.486 1.862 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1358904240 ZYHDBAOOMHNJAH-KRWDZBQOSA-N 440.552 1.617 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1Cc2ccccc2C1 1358969274 LISWIHGNYJUGAW-QGZVFWFLSA-N 425.558 1.766 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1359007722 SZYHWKDOKNDRFD-UHFFFAOYSA-N 449.515 1.977 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359010582 UDNJRRZNAJUCBF-CABCVRRESA-N 425.555 1.553 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC(C)(C)C)CC1 1359039965 CNXOFJORHVRDHI-HKUYNNGSSA-N 432.569 1.062 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1359238489 MMSBGYSXEANEFN-UHFFFAOYSA-N 434.504 1.705 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359294374 RRKWCYWIYWSJQJ-FQEVSTJZSA-N 441.448 1.186 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cnn(C)c1C 1359296620 PBHZTQVCLCDPND-UHFFFAOYSA-N 439.520 1.943 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359340788 ZRTCSGRAPAURLO-UHFFFAOYSA-N 438.623 1.968 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(S(N)(=O)=O)CC2)cc1 1441889909 HRQDEEXDBDPCMT-HKWRFOASSA-N 428.536 1.039 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)n1 1448860598 RGPYXQLKLGVGAK-IEBWSBKVSA-N 425.407 1.302 30 10 IDEE Cc1ccc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1C#N 1459740471 IXOSMROIZVBSNQ-UHFFFAOYSA-N 441.557 1.605 30 10 IDEE CC1(C)O[C@H]2C[C@H](NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@H]2O1 1471475988 GVPZSNVQXSWRRO-XGWQRUHWSA-N 434.518 1.257 30 10 IDEE CCOC1CC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)(N2CCOCC2)C1 1502937430 CWNXGZZNVXOQAA-KYMGHPBBSA-N 445.568 1.095 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C2CC2)cc(OC)c1OC 1504078336 HCMBOHGULHHAMH-ZHRRBRCNSA-N 443.504 1.861 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)OC 1504578699 DIXMNYFCQBCJKV-DAYGRLMNSA-N 435.550 1.736 30 10 IDEE COCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504826773 WCIAKDWGPZSSNW-AEFFLSMTSA-N 426.525 1.933 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1507516743 MMXRHALTLLNLLQ-LSDHHAIUSA-N 447.565 1.488 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1507630916 JODTTYADHRIKNT-LJQANCHMSA-N 441.557 1.580 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1507631114 MHCUZNWWEXDSDS-HNNXBMFYSA-N 447.471 1.607 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507728819 AKKPXAHDLIKXHN-INIZCTEOSA-N 449.527 1.337 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1508134063 AYVMHJVQJHNMBK-CQSZACIVSA-N 437.953 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508140273 HLBYSPJXVLBLKQ-UHFFFAOYSA-N 435.594 1.985 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1508141698 XROJSSLCWSHCIY-UHFFFAOYSA-N 443.573 1.780 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1508157802 BKJZYAKWBMCHPB-ZWKOTPCHSA-N 434.610 1.697 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1(O)CCOCC1 1509000602 GUPRZTZMTNXTEA-QGZVFWFLSA-N 440.552 1.710 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)CC1 1519242719 OPJOSRAQFJRKDF-UHFFFAOYSA-N 438.532 1.711 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccc(C#N)o3)C[C@H]21 1519452634 BMYKLNRRYCRWGH-KKBVYLPWSA-N 434.522 1.120 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2cc(C#N)ccc2OCCOC)[C@H]1c1ccnn1C 1521776285 MLDGDQGPDKHSMO-UXHICEINSA-N 427.461 1.244 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1539002246 RMKQMXVMDNTMRH-MRXNPFEDSA-N 429.546 1.956 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1539011438 BSIZEQKDFOGALO-JYJNAYRXSA-N 443.639 1.847 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539446763 IKAPVZGHZOQXFW-LJQANCHMSA-N 443.573 1.379 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1539459614 LTALJEQIVKKIBA-UGKGYDQZSA-N 428.581 1.607 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2OCCC2(C)C)CC1 1539477404 LMKOBQXPFTXAKH-IRXDYDNUSA-N 428.537 1.010 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539633275 XVKPYHSQSQLKDX-WTGUMLROSA-N 433.553 1.495 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539735208 KWPANTIJXFRKTQ-KRWDZBQOSA-N 444.561 1.880 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)Cc1cnccn1 1540862029 OTRRSOXMGOFGQN-UHFFFAOYSA-N 434.504 1.876 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1542026120 CIFNQSRXPLKXRK-UHFFFAOYSA-N 439.520 1.976 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1545692202 PQTLRHIZYTUOAK-MRXNPFEDSA-N 435.532 1.933 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N3CCc4c(CC#N)cccc4C3)cc2S1(=O)=O 1587454530 UULDVAWUUGRPDE-UHFFFAOYSA-N 439.493 1.742 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1587707223 YDGLBWVZYSZAIC-YESZJQIVSA-N 425.555 1.076 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1588170723 MLANGVHHGXSJMX-HDICACEKSA-N 442.564 1.894 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1588170808 NYTLMNLXQCLNCR-OAQYLSRUSA-N 433.560 1.788 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[S@@](=O)CC)CC1 1588779768 CDCIWGWMAFWTNA-PMERELPUSA-N 431.562 1.486 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OCC)CCCC2)CC1 1588811250 DIRPWLGSUVPOKJ-GOSISDBHSA-N 435.594 1.285 30 10 IDEE CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(N)(=O)=O)CC1 1589125133 FUZMVEPSBMWUSP-INIZCTEOSA-N 434.603 1.978 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1593740750 DTWCFAPEWGGCDR-INIZCTEOSA-N 425.555 1.225 30 10 IDEE C=CCN(c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1595070495 BSQLLEIHIXJPEP-NRFANRHFSA-N 448.545 1.570 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C#N)C1 1595208789 ASIFAXOTXXPYRT-CJNGLKHVSA-N 447.966 1.184 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1595562151 PCFATPQKWBGPEG-HXUWFJFHSA-N 449.563 1.691 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595688668 MDJJVYDOTYBUJK-WIYYLYMNSA-N 448.545 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)NC)CC1 1595784505 HGJCSDBDAKBJSG-UHFFFAOYSA-N 447.561 1.517 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595788639 FDBCHFCIXCUHDF-SJORKVTESA-N 444.561 1.212 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1595883773 BDEBJWMDQPGMSB-IRXDYDNUSA-N 434.610 1.490 30 10 IDEE COC(=O)[C@H](CCC(=O)NC[C@@H]1CCCN(CC#N)C1)NC(=O)OCc1ccccc1 1610951724 FCFMSUVZGUHBSH-OALUTQOASA-N 430.505 1.586 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H](NC1CC1)C(F)(F)F 1611688026 MVGJFWNULDLUIQ-HNNXBMFYSA-N 432.468 1.695 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613434785 ULRXKPNDSJVWJP-HUUCEWRRSA-N 439.520 1.622 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 1618373663 FUKFPZFRIJFSJP-RBUKOAKNSA-N 437.585 1.294 30 10 IDEE COc1ccc(COCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1619295295 RKRCNJHSIOVFHP-SFHVURJKSA-N 428.493 1.370 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCn2ccnc2C1 1619913421 CEEYOSGTRHCIMH-KRWDZBQOSA-N 426.525 1.226 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cc[nH]n2)C1 1620346669 FPULNLSJLFCSRV-HXUWFJFHSA-N 444.421 1.742 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 1622519264 WQZMXXBEMYMFKF-VQIMIIECSA-N 445.516 1.734 30 10 IDEE C#CCO[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1623590695 JMYPVBLGVBNWFF-LBPRGKRZSA-N 435.365 1.772 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c1 1631843734 JLHXHSYRWNTUII-SFHVURJKSA-N 425.466 1.486 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1637004708 MGKWBUIPDZJRSL-IIBYNOLFSA-N 443.573 1.710 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)n(C)c1 1637067018 XBWSVMYEUKLYQQ-UHFFFAOYSA-N 425.360 1.974 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC(c3nccn3C)c3nccn3C)ccc2c1=O 1638934854 BDAULMWKTPGGOQ-UHFFFAOYSA-N 435.513 1.858 30 10 IDEE CN(C)c1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)N(C)C)cc1 1640232746 YMUMWVLDZCAUSQ-HXUWFJFHSA-N 429.546 1.322 30 10 IDEE Cc1cc2nc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc(N(C)C)n2n1 1641762632 AWNDOGOKZIQLGK-MRXNPFEDSA-N 446.471 1.819 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCn3ncc(I)c3C2)nc1 1648416327 XPMRGKNOQWMSPI-UHFFFAOYSA-N 443.270 1.044 30 10 IDEE Cc1ccc(C(=O)N(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1S(=O)(=O)NCC#N 1648875538 GXVDWLRWXAHKNL-HOTGVXAUSA-N 448.545 1.734 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(NC3CCOCC3)CC2)CC1 1654774142 CZQHMARFQFSQRF-QHCPKHFHSA-N 443.567 1.768 30 10 IDEE C#CCOc1ccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 1672516407 BGXZQTVYCJQTPU-UHFFFAOYSA-N 429.498 1.580 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)cc1 1673820058 RCBQXYRBQIGLCV-SFHVURJKSA-N 428.489 1.786 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3ccc(COC4CCOCC4)cc3)C2)c(=O)nc1O 1679320520 GKVDVLGHGXHYRT-UHFFFAOYSA-N 439.472 1.283 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ncc(Br)cn2)[C@H](C#N)C1 1681227966 ULVDGXCLSXHCJN-ZYHUDNBSSA-N 425.287 1.797 30 10 IDEE N#C[C@@]12CN(C(=O)NC[C@H]3CN(c4ccc(Cl)cc4)CCO3)C[C@H]1CS(=O)(=O)C2 1682748013 FRBWLBXKUKJDLS-FNHZYXHNSA-N 438.937 1.125 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689989639 HODWAKCOPIJEER-ROUUACIJSA-N 432.550 1.004 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1689999631 FIHQOCYOWXLWQD-CVEARBPZSA-N 434.591 1.326 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)C)CC1 1690661784 HFUHULDUFQLMIH-UHFFFAOYSA-N 428.537 1.795 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690665759 OQUPELNMHKVLLH-MRXNPFEDSA-N 440.529 1.419 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690718001 XUZKHEGQKQSILP-QGZVFWFLSA-N 442.501 1.058 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690740511 XTODTHGOSPVPHQ-INIZCTEOSA-N 444.565 1.364 30 10 IDEE CCOCc1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696302656 ZIEOMVMANCRPIO-ZZEZOPTASA-N 439.476 1.004 30 10 IDEE COC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697875189 BPVXKXCXUBMZND-QBEKEKFNSA-N 437.504 1.263 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1705490642 OCYSDNZSJTWADU-INIZCTEOSA-N 448.531 1.216 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1705518080 FDSJVYDUJQHERC-UHFFFAOYSA-N 435.532 1.615 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@H]2C1 1705525681 REILYCLNPXFGJX-MRXNPFEDSA-N 433.354 1.980 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705540263 RZKKSCWALRISKK-HLAWJBBLSA-N 428.581 1.922 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)N1CCOCC1 1705550339 HBLFDNDBEKFTTD-UHFFFAOYSA-N 445.593 1.418 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705563925 HZESWYYSTILPLX-HYDGNGQDSA-N 449.602 1.514 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1705570348 MFUGPMKASHOAJY-LVCYWYKZSA-N 436.578 1.441 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705680801 HSJNHXADERHTSD-FRRDWIJNSA-N 436.376 1.801 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)NCCC)CC1 1705896492 OIIAIJCDJQMASN-UHFFFAOYSA-N 440.548 1.999 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705933236 YSZGHJBJMMPIOT-MRXNPFEDSA-N 447.536 1.886 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1709850671 WSDSZDFGVGDUQL-PKOBYXMFSA-N 437.548 1.928 30 10 IDEE CCNC(=O)c1ccc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)cc1 1710323437 JQPIZADHNQBCDE-LPHOPBHVSA-N 442.520 1.529 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1712640014 SCRQJSBRFDWKHK-MDKPJZGXSA-N 436.532 1.291 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](N1CCOCC1)C(F)(F)F 1722353892 VXUMMJCJMIEIFI-HNNXBMFYSA-N 440.426 1.338 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722358769 LEVJEEQJKLXFNU-JKSUJKDBSA-N 439.582 1.104 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1722380862 ANXQSOGDZBDBGN-GOSISDBHSA-N 440.548 1.768 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1722448845 ZRFAYLXBMIOWCC-OALUTQOASA-N 429.565 1.953 30 10 IDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCOC 1722453278 XIIWCSBBHSFXCZ-UHFFFAOYSA-N 436.607 1.996 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1722638869 QMQWRSYREIQDMT-UHFFFAOYSA-N 442.545 1.639 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722698511 GLOFBEPJKPGBMA-MRXNPFEDSA-N 442.520 1.384 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1cnccn1 1722704919 ZPVSGJXAYJKIBH-IEBWSBKVSA-N 427.553 1.968 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCN(CC)CC2)C1 1722722314 ZTFVEWWUBKQTCN-WOJBJXKFSA-N 445.612 1.208 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722730685 ZYJCDFDHUDJPGF-SFHVURJKSA-N 445.589 1.721 30 10 IDEE CO[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729835031 AHSYVDPWKMXSLK-MAUKXSAKSA-N 428.541 1.795 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN(C)C(C)C)c1 1740562407 MZCMOBBKTAUXKD-UHFFFAOYSA-N 439.564 1.813 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740620202 CFIGUKLZPVHHFU-MRXNPFEDSA-N 443.558 1.369 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1740657407 RRHMZNOUZKHVFG-LJQANCHMSA-N 445.520 1.261 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1740668959 GMWHSZXABDLERG-SFHVURJKSA-N 449.559 1.855 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2([S@@](C)=O)CC2)CC1 1740697145 SZROYJLXERVZLT-SSEXGKCCSA-N 427.574 1.544 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F 1740960406 QYRCNVUSAVLXEQ-INIZCTEOSA-N 435.525 1.300 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOCC(F)F 1741931583 QKFHCMLLNDAFIG-SUMWQHHRSA-N 434.513 1.690 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cs1 1742577671 MWYWYOUIMKMSPD-GOSISDBHSA-N 438.554 1.901 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1743196850 DXBBSRSNMODJTR-GFCCVEGCSA-N 435.410 1.162 30 10 IDEE CC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1744904853 IOSCEUSAMNDJEJ-QFPXGYFVSA-N 427.509 1.419 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1748732321 YLSGEBGIGMNNGM-JENIJYKNSA-N 434.610 1.755 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1748791199 QDDQXUCJGMUMOG-LSDHHAIUSA-N 427.596 1.212 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1748859326 SDTVGZHALFGKFQ-INZIPBBXSA-N 449.577 1.428 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](C)C1 1749226491 QSBDLFOHGUCDSG-QGZVFWFLSA-N 446.552 1.755 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](COC)C1 1749659497 FMTVPZLGCHKAKX-RDJZCZTQSA-N 445.520 1.505 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749703524 JTRLHVZNCMRUHZ-UWJYYQICSA-N 432.546 1.584 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCc2oncc2C1 1749721349 HVMOOKPYFMCLLA-UHFFFAOYSA-N 436.538 1.348 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760095452 PFRHXJPLYZCWAH-NQIIRXRSSA-N 436.560 1.587 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1760145418 OQNMQGPBHHAQQY-KRWDZBQOSA-N 448.568 1.763 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)Cc1ccccc1 1760177982 USDCRUPJCAGODI-UHFFFAOYSA-N 436.541 1.998 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760184497 XVMJHORYMYJVHX-HUUCEWRRSA-N 448.574 1.304 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760189581 PZDAPGRVYLZIFF-SFHVURJKSA-N 443.577 1.238 30 10 IDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189943 SIVVAZGQTWQXOO-OAHLLOKOSA-N 440.529 1.141 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCC1 1760197005 OTVQJTIOJNWPQV-UHFFFAOYSA-N 441.557 1.573 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1760437466 FCTOBWLTPIESNH-UHFFFAOYSA-N 436.520 1.620 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760525861 UUQCHIQKZFWADI-GOSISDBHSA-N 439.564 1.256 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760559387 NUWFXWKZRWMTLO-CQSZACIVSA-N 429.506 1.485 30 10 IDEE CCC1(CC)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762497370 YCJHTEDDSYIUIS-LZICOFPGSA-N 441.536 1.772 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1765276330 LPEOITRGRFPYIF-MUXVIGPSSA-N 430.509 1.312 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCOCC1 1770073628 VOUQVEKKBQEQBR-SFHVURJKSA-N 446.552 1.571 30 10 IDEE C[C@@H]1CC(=NC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)NN1c1ccc(Cl)cn1 1851776299 YFOMEONYKSCBNL-GFCCVEGCSA-N 425.942 1.968 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)Nc3ccc(C#N)cc3)CC2)cc1 1852894922 SJTMZSPZVGTTFD-UHFFFAOYSA-N 427.530 1.995 30 10 IDEE C=CCNC1CCN(C(=O)CN2N=C(c3nc(-c4cccc(F)c4)no3)CCC2=O)CC1 1853501132 DGDCFDIRLQGIHI-UHFFFAOYSA-N 440.479 1.969 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2=O)CC1=O 1854002235 HTQBMEBCURVCJI-KRWDZBQOSA-N 433.530 1.204 30 10 IDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccn(-c4ccc(Cl)cc4)n3)C(=O)C2)C1 1855004012 ZKUHTOOXOYZRKP-SFHVURJKSA-N 426.908 1.798 30 10 IDEE COc1cc(C(=O)N[C@H](CO)C(=O)N[C@@H](C#N)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867807103 SAZSVDATJMZICF-JKSUJKDBSA-N 442.428 1.392 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1984989979 HWPSLWJLAPTWGI-HRCADAONSA-N 425.526 1.780 30 10 IDEE Cn1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nncs2)cn1 2033813733 UVSDYJYVTOOBDR-HNNXBMFYSA-N 425.426 1.826 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](F)C1 2060624273 WRKBTRNKPSRMGT-KGLIPLIRSA-N 436.293 1.919 30 10 IDEE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1=NO 2108227640 JCIREBHJQGJKEL-VLXJIEOASA-N 425.482 1.759 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2126937420 NEHXQBOKFFDZSQ-HSZRJFAPSA-N 446.353 1.974 30 10 IDEE C#CCOCCOCCS(=O)(=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195259982 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Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)n1 2267189809 GDOQBVWPZFRBFW-DLBZAZTESA-N 442.325 1.218 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)n1 2267505044 BZPXFSWDIACQBM-WOWRSWPSSA-N 446.357 1.895 30 10 IDEE CC[C@@]1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2267539771 MYWZFXGSRKRMHD-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE CN1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CNC(=O)C(F)(F)F)C1 2267823358 SSJCOZCFMKZDLO-CQSZACIVSA-N 442.291 1.367 30 10 IDEE C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282840782 JHTVMFMXPSISBW-SECBINFHSA-N 443.805 1.412 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccnc2)c(C)n1 2296613056 PHSFAVIHQGYIGZ-HXUWFJFHSA-N 437.500 1.632 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2343634804 AUDQLRKMRBIZRU-ZSEKCTLFSA-N 447.345 1.386 30 10 IDEE C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C1CC1 32831654 WNWDQOLWBBUPJW-SFHVURJKSA-N 444.479 1.820 30 10 IDEE N#Cc1ccc([C@@H]2N[C@](CC(=O)O)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 247647671 LAXWFYRVKMOQEA-XQQXVUDOSA-N 433.420 1.302 30 10 IDEE Cc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccncc3)nc3c2c(O)nc(=O)n3C)cc1 254311686 KHXNSRRAOQASMY-INIZCTEOSA-N 449.471 1.425 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)s4)CC3)C2=O)n(C)n1 435422334 NUQMOOFMRGJSOA-MRXNPFEDSA-N 448.574 1.164 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1=O 440265482 ALNPDTFUCORIDP-CQSZACIVSA-N 438.278 1.420 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 460559171 ZCIHNUDZNHWJBE-LSDHHAIUSA-N 431.566 1.905 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 461376784 NZSNVAWMWPWBFM-GOSISDBHSA-N 441.553 1.263 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 477793104 RPPMLYDSYWXVMX-GOSISDBHSA-N 435.546 1.395 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 478748991 UVYWPVBAKXOGQR-UHFFFAOYSA-N 440.569 1.145 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccccc1C 479358977 BALWSUHXYGZYCP-UHFFFAOYSA-N 432.505 1.416 30 10 IDEE CC(C)Cn1c(N)c(C(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O 507846270 GWSDTFCTDCNNPB-UHFFFAOYSA-N 439.516 1.383 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 508920785 JRXCHJVEEHMOHS-IBGZPJMESA-N 427.505 1.452 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccc(Br)cn3)CC2)nc1 517199290 ONHGTKIEHVKBDJ-UHFFFAOYSA-N 436.335 1.707 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)N3CCC[C@@H](C(=O)OCC)C3)cc2C1=O 522423185 NGCXYMCMCUJJAB-MRXNPFEDSA-N 441.484 1.342 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CCc1ccccn1 544637870 BFCAXHMYVWONCN-UHFFFAOYSA-N 449.492 1.013 30 10 IDEE C=CCSCCNC(=O)C(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 552505108 BQEOAZOKJCBYAD-KRWDZBQOSA-N 439.965 1.734 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 555331137 KCVVAWXWWVGYMB-CRAIPNDOSA-N 430.505 1.617 30 10 IDEE Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2)nc1 585488354 DORSDAZBMFESNB-UHFFFAOYSA-N 435.513 2.306 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(O)nc4ccccc43)CC2)cc1 603781637 IYCDAJJPVCAEER-UHFFFAOYSA-N 425.470 1.147 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@H]1CCCO1 609220587 XNSYYLOSROTDLW-QGZVFWFLSA-N 443.544 1.956 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#CCN)ccn1 703977698 JXVBWJPWXWZELB-UHFFFAOYSA-N 426.498 1.456 30 10 IDEE CCOc1cc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)ccc1OCC(=O)OC 734293845 PRZBWFWNABBHHZ-UHFFFAOYSA-N 432.454 1.936 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)CC1 734428931 RFRXUOQEYXOKNT-QGZVFWFLSA-N 427.505 1.885 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 737305428 HWTACGLWBFLQBG-DNTCVELPSA-N 442.472 1.216 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCN(c2ccccc2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742655875 GAHOMUKWEZIFSE-PBHICJAKSA-N 426.498 1.425 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC1)C2 755791700 ZDJQHUSULLESLO-SFTDATJTSA-N 436.560 1.523 30 10 IDEE C[C@H](COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CS(C)(=O)=O 757975013 ZKPJXXKWNHIJEB-CQSZACIVSA-N 428.532 1.183 30 10 IDEE C#CCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@H]1CCS(=O)(=O)C1 760144202 NMWQDOXXKGSGML-HNNXBMFYSA-N 439.335 1.737 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@H]3CCCO3)c2=O)c1 763437026 XWWRTYCNJWPDKJ-GOSISDBHSA-N 434.521 1.569 30 10 IDEE CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccn(C)c2)c1=O 763460196 GJQHFMNLWJQCSS-UHFFFAOYSA-N 426.586 1.708 30 10 IDEE C[C@H](/N=C1\S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1)c1cccs1 768415418 AWFADQSSDDQEKM-ROBVUMMGSA-N 449.606 1.506 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3cccc(NC(C)=O)c3)c2=O)c1 776754673 BWIHBPJVWKIJAN-UHFFFAOYSA-N 431.477 1.596 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br 780776365 JJKITQYZZDDZJS-CYBMUJFWSA-N 427.324 1.768 30 10 IDEE COc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 780848277 LEBQQKODEBYRPS-IBGZPJMESA-N 431.470 1.260 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 786785465 XQXAZHZKBCDAPJ-MRXNPFEDSA-N 446.552 1.194 30 10 IDEE COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)NCCn1cnc(C#N)n1)C(=O)OC2 804619957 HMJLAJONEBZDIN-PQMHYQBVSA-N 439.472 1.928 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 813564109 UVBLGVBJKSUPCV-KBXCAEBGSA-N 445.589 1.309 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H](C(F)F)C1 813806243 MSYAVAJVZKEKGE-FUYOWACXSA-N 428.436 1.616 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc2c(c1)CCC2 920396479 CDOPNGSXNDXLIY-UHFFFAOYSA-N 436.500 1.995 30 10 IDEE CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1141724222 XEUUZIKBAWJICM-UHFFFAOYSA-N 425.463 1.424 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)n[nH]2)c1C 1177372654 SDUIAQKIMOKJDL-UHFFFAOYSA-N 449.515 1.238 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1286272296 AWTKEXYNZHOTTB-STQMWFEESA-N 427.477 1.996 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1286379546 WCTGVSRHVXTTJD-OKZBNKHCSA-N 442.564 1.973 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286489309 NTWXAXLYJUDHMH-VQTJNVASSA-N 437.544 1.759 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286508345 QSQKDSWSWBLBRH-UHFFFAOYSA-N 441.586 1.884 30 10 IDEE C=C(Br)Cn1c(N(C)[C@H](C)CC(N)=O)nnc1[C@]1(OC(C)C)CCOC1 1286547193 JPYGKIYSQISBRY-DYVFJYSZSA-N 430.347 1.927 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286716363 MBVJUZWQLRQIAZ-HMXCVIKNSA-N 446.596 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286786597 HOVSLQHQXYDMPW-HDICACEKSA-N 427.553 1.496 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(C)CC2)C1 1286810764 VODKBLQASPNRSI-IRXDYDNUSA-N 439.582 1.583 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCN(C)C2)C1 1286813540 XDRCUACIYNWOQI-IIBYNOLFSA-N 446.577 1.118 30 10 IDEE Cc1n[nH]cc1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1289165587 HVSGUWZVRGTDLL-FXAWDEMLSA-N 431.566 1.975 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)O1 1289168005 UQGDFBAVCKTSEN-DFQSSKMNSA-N 436.530 1.799 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1c(C)oc(-n3cccc3)c1C#N)CCS2(=O)=O 1289582579 NZFZJNHUBYEVPF-DBWCEAHUSA-N 445.497 1.879 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 1294720458 AKEGGVHHECRRSS-UHFFFAOYSA-N 437.685 1.881 30 10 IDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)ccc1C#N 1297520015 JIFDBLIEYJJCPU-UHFFFAOYSA-N 429.498 1.642 30 10 IDEE CO[C@H](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1299612197 POYWHJANZVMKDQ-VNQPRFMTSA-N 428.459 1.926 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CC)c1 1300331953 VDAWLHGIRKZNBW-HSZRJFAPSA-N 438.532 1.731 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1300372287 OXJIWLRUMBLAPS-UHFFFAOYSA-N 426.569 1.153 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300497281 XZLXXBBYJNWLOI-KGLIPLIRSA-N 436.456 1.335 30 10 IDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300546955 APVOIARPNIJHJH-CEXWTWQISA-N 443.548 1.912 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1300989802 GRYBUACXBZBWHE-MOPGFXCFSA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1301499162 YZOYEUKKQCHALB-QGZVFWFLSA-N 443.596 1.417 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1301499595 CLEMYHRCIGSFSG-IRXDYDNUSA-N 448.568 1.920 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nccc(C(F)F)n2)C1 1301565249 ALGGJSBYABWJAZ-CQSZACIVSA-N 433.463 1.958 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1303641940 SVBYYEFEELIYNQ-HKUYNNGSSA-N 440.552 1.996 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)C1CCCC1 1303835809 FFFUGKHVSWUYOF-RDTXWAMCSA-N 427.550 1.205 30 10 IDEE COc1cc(Br)cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1313266392 ACPSKPCFPDLMOZ-LRDDRELGSA-N 428.308 1.537 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O 1316483542 QYABYRMAPQEXJC-SUMDDJOVSA-N 445.545 1.371 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCOCCCO)cc1 1342136514 ANRYWJDKOSSQPS-PYCFMQQDSA-N 426.539 1.800 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cc(C#N)ccc1F 1349003170 DIKGMKAAAGZTHM-UHFFFAOYSA-N 432.477 1.894 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1358896011 VTXVAHNTRQWHEO-FPOVZHCZSA-N 436.560 1.759 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1358978929 YDGROQIIGZSZTJ-GOSISDBHSA-N 442.541 1.727 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359104371 AOKXAKSUQJRKEP-TVFCKZIOSA-N 439.582 1.629 30 10 IDEE C=C(C)COCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1359136718 STRQYLDNXGXFKQ-SXWKCWPCSA-N 449.596 1.680 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C)C1CC1 1359251225 FZHNCSIFMMKNKJ-AWEZNQCLSA-N 425.555 1.860 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CC2(CCOCC2)C1 1360681479 QYFZJEZWJLMHDE-IFXJQAMLSA-N 440.545 1.537 30 10 IDEE C#CCN(CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1445465157 OYRMRBDZLCATPX-CVEARBPZSA-N 425.526 1.997 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CCCOC(C)(C)C)CC1 1455224450 DDUIXXJVLUDMOB-KRWDZBQOSA-N 436.578 1.574 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1463719992 HDPLHBHCTONBFI-LSDHHAIUSA-N 435.974 1.354 30 10 IDEE Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1S(=O)(=O)NCC#N 1468526621 PFLDKHLVDQNLAD-NQIIRXRSSA-N 431.489 1.737 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1470227268 YOIRNZWEPLOZPE-AOMKIAJQSA-N 446.935 1.297 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)nc1 1471984285 SWNUYHFAKSOHJO-VQTJNVASSA-N 440.548 1.069 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3(OCCO)CCCCC3)C2=O)cc1 1472223515 KHFMGYLHVABYPH-GOSISDBHSA-N 428.489 1.591 30 10 IDEE COC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CCO1 1504711919 HUVUMQHRGRBNFH-WIYYLYMNSA-N 431.493 1.683 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507592607 TVARYKPZLRVCBV-JKSUJKDBSA-N 437.566 1.697 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1507630304 WQPYIWHFNVPIEX-HNNXBMFYSA-N 441.504 1.582 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507632599 NYTCMXJXBMHTNB-MRXNPFEDSA-N 432.550 1.751 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1cnc2c(Cl)cnn2c1)[C@H]1CCS(=O)(=O)C1 1507635490 WGMMBHMOOZPPAS-HNNXBMFYSA-N 447.952 1.406 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1ccnc1C 1507709801 ASEVCPBKVCYBAV-UHFFFAOYSA-N 446.515 1.483 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507765276 LFVTYNCWIXFCJR-DYESRHJHSA-N 428.562 1.922 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC 1507771555 BSUOQYZEAACPLG-QFBILLFUSA-N 439.582 1.154 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1507848516 LICLPHKCORGSJM-NRFANRHFSA-N 436.557 1.374 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1507867637 APAZXSUUGQYPPW-HNNXBMFYSA-N 432.974 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1508136030 OTTZDPQIXBZAIR-UHFFFAOYSA-N 428.518 1.086 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1508423373 GRKRFFOEMTVSOG-CABCVRRESA-N 428.534 1.489 30 10 IDEE CC(C)Cc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509239803 ZADVMIHKHAHVRV-RPBSFSNWSA-N 443.508 1.034 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCN2CCCS2(=O)=O)cs1 1511535414 HXIDLIOLOTZDCE-UHFFFAOYSA-N 449.606 1.799 30 10 IDEE CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1CCN/C(O)=C1/N=CC=CC1=O 1512803265 VMQHXDNFADRNOC-ITZAQCPESA-N 426.525 1.996 30 10 IDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1513995760 BIIAGRRIWLUXPV-MAUKXSAKSA-N 432.550 1.903 30 10 IDEE CNC(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1517592266 DCVBFQPOUMVQCL-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CO[C@@H](C)c1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cs1 1517752958 AKENOFKXOPRQEB-DZGCQCFKSA-N 431.522 1.455 30 10 IDEE CO[C@@H](C)c1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cs1 1517752961 AKENOFKXOPRQEB-ZFWWWQNUSA-N 431.522 1.455 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1519277283 MZMXLSBCZSTIEN-NYHFZMIOSA-N 442.495 1.778 30 10 IDEE COc1cc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)ccc1C#N 1521722976 FWPGNZQVPWMGSV-LJQANCHMSA-N 436.516 1.562 30 10 IDEE CS(=O)(=O)CC1(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1531903724 WCFFBQCCIFAAEI-INIZCTEOSA-N 432.502 1.094 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1531936351 FSGCCHUBDXAVOV-INIZCTEOSA-N 444.937 1.820 30 10 IDEE CN(C)S(=O)(=O)C1(CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1535040112 JHNZMMFNROBLMV-UHFFFAOYSA-N 447.517 1.563 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(CN4CCNC4=O)CC3)C2=O)cc1 1536619683 SIBNAMCPXITPII-SFHVURJKSA-N 438.488 1.027 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1538977574 WWIGQJOAATWYNK-ZHRRBRCNSA-N 427.505 1.301 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1539005032 XKKYFFMUFWRHSG-MWTRTKDXSA-N 438.532 1.920 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539212865 YIXUMUQYHLHZTQ-INIZCTEOSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539224444 HFQHGDPPGTYKAU-LJQANCHMSA-N 442.589 1.375 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539592334 CQCJKWBKZAYZGV-HNNXBMFYSA-N 448.325 1.471 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1539632780 UDRPMDWPCPOLTA-HLIPFELVSA-N 433.553 1.624 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539668360 XRBDIJUQPPIZAC-INIZCTEOSA-N 443.552 1.886 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540866457 NWHLWGMFYLHOAO-HOTGVXAUSA-N 432.912 1.680 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C)CC1 1540870801 XKKIORXDNOMYPE-KRWDZBQOSA-N 426.525 1.247 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NC)C1 1540871016 BQESEXJBWNFOQX-CRAIPNDOSA-N 440.504 1.055 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1540901393 BZAKGOIKCOUHBU-AWEZNQCLSA-N 430.534 1.727 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1541880500 NIFTXRXNDVZRRV-HOTGVXAUSA-N 429.525 1.712 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1555726819 BUOPSDCNUARSFV-VBQJREDUSA-N 435.506 1.138 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CC(=O)N(CCC)C1 1557081488 FRVJODUKZJVQAR-WBVHZDCISA-N 434.562 1.659 30 10 IDEE CN1CCCN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1565611844 TVPZERYDOHWKNB-KPRXVCGWSA-N 433.597 1.917 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1587638988 IQAYRUYKHVVOSR-RDJZCZTQSA-N 434.541 1.571 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1588054193 LIUCTXDFJBMQIH-ROUUACIJSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1588162207 NKJYPJVKJCZZKQ-HXUWFJFHSA-N 437.525 1.769 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1588445100 GOWRIHLEYPMWFV-UHFFFAOYSA-N 431.562 1.969 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588967837 BRNSBMDSZNQAAH-OTWHNJEPSA-N 431.537 1.147 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCS2(=O)=O)CC1 1594022964 AXKVNFHUJLKCSN-LJQANCHMSA-N 425.555 1.122 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1594812233 DGUAEXYECHQQAM-QGZVFWFLSA-N 429.525 1.352 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1594824558 LDQHSRZSNQOOQV-OAQYLSRUSA-N 444.561 1.579 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1595302734 DAOXEIVSWIJXMH-OAHLLOKOSA-N 437.570 1.214 30 10 IDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1595335611 XCEQJRGHFNVTCP-UHFFFAOYSA-N 425.493 1.991 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1595398970 MPOXPTDMHUJFLQ-HSALFYBXSA-N 430.597 1.985 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1595506483 BGYXLENAFVPZOV-KRWDZBQOSA-N 447.971 1.843 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595555856 JIYYEBPUHMUEHV-SFHVURJKSA-N 440.548 1.484 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2Cc3ccccc3O2)C1 1595674880 VLAPENGGQGLTQO-CGTJXYLNSA-N 447.561 1.673 30 10 IDEE CC(=O)NCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1596756205 LBHMPJYXNQBTJP-BBWFWOEESA-N 447.540 1.304 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1cnnn1C 1609508543 BGDQZIMJUALXAF-GOSISDBHSA-N 435.492 1.043 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C(=O)OC)C[C@H](OCC)C2(C)C)s1 1616581146 IXIRVUZMDVTRDX-IFXJQAMLSA-N 444.575 1.618 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1616928096 ONDMCQJYCQXITA-UHFFFAOYSA-N 428.599 1.499 30 10 IDEE CCCCc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1 1617487619 PGKBGXMWEBLLRA-FGSXEWAUSA-N 429.542 1.779 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCS2)c1 1620150198 GZHCCFIJYJBYQC-HOTGVXAUSA-N 433.559 1.973 30 10 IDEE C#CCN(CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1)C(=O)OC(C)(C)C 1621821277 BUWFSHYZPVSRIF-UHFFFAOYSA-N 428.533 1.812 30 10 IDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1626907354 AOQXZLAPJBTAPL-XNROWMOSSA-N 448.520 1.053 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C12CCCC2 1628578862 QLUDBMWUAGZWEL-OAHLLOKOSA-N 431.493 1.649 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 1629869704 CLLTZIHBXKPRNO-ZWKOTPCHSA-N 435.546 1.904 30 10 IDEE CCc1nsc(N2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1629953840 GMSWQGNYMRDPHA-UHFFFAOYSA-N 437.522 1.889 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)CC(C)(C)C#N)CC1 1630373823 YYVBHKAMRVZCFR-UHFFFAOYSA-N 427.548 1.171 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)s1 1630440799 MCABJKQCGDHMDQ-MRXNPFEDSA-N 442.584 1.657 30 10 IDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1631818035 SEKKMKUCPHWFQT-FQEVSTJZSA-N 440.493 1.943 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1sccc1S(=O)(=O)NCc1cccs1 1632393824 DRHTWNUDMANZSM-UHFFFAOYSA-N 427.529 1.817 30 10 IDEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cn(CCCC#N)c2ccccc12 1633996882 AFSWHPPGWOTZCQ-LJQANCHMSA-N 426.473 1.465 30 10 IDEE CN(C)CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1635120387 RDCFXGTWJIZMFV-SJORKVTESA-N 444.598 1.541 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3c(C)nn([C@@H](C)CC)c3C)[nH]n2)CC1 1635993997 WRUHGRMRALTTBN-HNNXBMFYSA-N 425.537 1.368 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)C1 1636299789 QMPNJQNDSUPSFX-FZTQNYJHSA-N 441.550 1.045 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1636714588 DNTMBFFPSQSIST-WBVHZDCISA-N 445.520 1.849 30 10 IDEE C[C@H](CC(=O)NCC[C@@H]1CCC2(CCOCC2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1637938877 JMKKJTLTZQBVTL-SJORKVTESA-N 449.573 1.986 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(S(=O)(=O)CC)cc2)s1 1639867117 BNMYUYZBVGFJLK-UHFFFAOYSA-N 442.584 1.865 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](O)C(F)(F)C3)nnc12 1641732178 JTDKCOYUMBDICU-AWEZNQCLSA-N 435.456 1.551 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN=S1(=O)CCCC1 1644049783 DGXXPDLHCSRTFO-INIZCTEOSA-N 440.591 1.662 30 10 IDEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)[C@H](C)COC 1647738579 ZBRFXCYKUVSVJP-SQNIBIBYSA-N 439.578 1.946 30 10 IDEE Cn1cc(S(=O)(=O)N2CCC(Nc3cc(C#N)c(Br)cn3)CC2)cn1 1650781619 JYSHLHMWRKFADI-UHFFFAOYSA-N 425.312 1.714 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(c3nc(N)ns3)CC2)cc1Br 1667936690 FUHOAPONTNCDKP-UHFFFAOYSA-N 447.315 1.404 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)cc1 1673398725 PZKBZAZGOYWCDJ-OAQYLSRUSA-N 444.513 1.845 30 10 IDEE CN(C)c1ncc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1C 1680014725 DEKLAYNIVVHIBT-UHFFFAOYSA-N 433.520 1.780 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)C1 1685267423 YLJTXDXMWLECAE-LJQANCHMSA-N 438.532 1.670 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1689851483 RLYQDYFTXXIPHH-QAPCUYQASA-N 429.546 1.436 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(=O)N(CCOC)C1 1689860598 DIBSCFUDYQYXAW-CVEARBPZSA-N 444.561 1.222 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CCC(N)=O)CC1 1689921227 ZDTKJLVRHGFNAS-UHFFFAOYSA-N 433.520 1.816 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C)C(C)(C)C1 1689975238 PIBBFBFXDWYLNH-UHFFFAOYSA-N 426.565 1.961 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690080498 WZJQFFHPBGZOMF-KRWDZBQOSA-N 441.561 1.258 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690137029 MOORAFIHHZMTSN-OALUTQOASA-N 430.597 1.867 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1690254904 KWWKFIFCUVLYDS-LEDOBFOHSA-N 447.580 1.970 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690299430 RAULCYGEZIIKCO-NRFANRHFSA-N 427.509 1.481 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1 1690682165 GSCKAMVINVTKNK-RDJZCZTQSA-N 435.550 1.727 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)C1 1690700791 XXBWGUAHBJCXTA-SJORKVTESA-N 425.599 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC2CC2)CC1 1690723191 KYBKSTVSJKGOCE-KRWDZBQOSA-N 437.566 1.225 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H](C)C#N 1694614203 FNLOEVPNZFUNDW-MPGHIAIKSA-N 431.541 1.951 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1695915562 ICTOEYLHZFHYIA-MRXNPFEDSA-N 436.582 1.473 30 10 IDEE COCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697977268 ZIJKUOQGIFLRCM-CQSZACIVSA-N 446.533 1.142 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCCCCO)cc1 1698488838 MTOAOGAAKPLXLD-SFHVURJKSA-N 439.520 1.495 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1705517363 UNFUOBYHLOFUDN-JKSUJKDBSA-N 445.536 1.896 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1705563076 QLAMXYHVOLMVDS-OXJNMPFZSA-N 434.518 1.279 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705567690 ZNMCZQJSNXKXDZ-GVDBMIGSSA-N 430.534 1.177 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1705583291 USYXIXOEEXRZIC-ROUUACIJSA-N 442.541 1.729 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)C2CC2)CC1 1705650465 RDYZOUQTGILVAZ-UHFFFAOYSA-N 440.573 1.422 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1705669269 HOMWLQRONOSWTR-PKTZIBPZSA-N 438.532 1.853 30 10 IDEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705685676 GVQIZQCKRZDFFT-ZDUSSCGKSA-N 435.330 1.986 30 10 IDEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705738147 NBHAGWXLJCBCOT-SFHVURJKSA-N 426.521 1.706 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705944160 WRDRVOVQRNBURH-HNNXBMFYSA-N 427.596 1.552 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1708738813 HYKFBYUYUWMDAN-IBGZPJMESA-N 439.586 1.266 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1712183392 ONCDJXMVSMBIDC-HYVNUMGLSA-N 431.424 1.827 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1712469479 HWKIQNGHIHWJCA-CVEARBPZSA-N 428.468 1.308 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CCOCCCO)c1 1712879193 ZWYCEDXOCZORAJ-UHFFFAOYSA-N 438.532 1.807 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccc(C)cc1 1722351095 GOYQMCLPNNMRMG-LJQANCHMSA-N 447.561 1.458 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722351153 HODSFBVXMIIDAO-OWSLCNJRSA-N 431.537 1.876 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1722367574 MNIUXUAMPYFKPE-QGZVFWFLSA-N 440.591 1.163 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCn2cc(C)nc21 1722428193 XCIRQOHGLPYZGA-SFHVURJKSA-N 425.537 1.569 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCn2cncn2)CC1 1722434645 UACJATIQXLXAON-UHFFFAOYSA-N 426.912 1.654 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1722436575 BTGKVKXYRFQMCS-IBGZPJMESA-N 440.523 1.035 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)(F)F)CC1 1722448597 VVKRMVOJSCNTFB-CQSZACIVSA-N 442.442 1.122 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(COC)CCOCC2)CC1 1722449084 GBGKTPDCXCWZCT-UHFFFAOYSA-N 429.565 1.640 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CCC)C(=O)C1 1722461499 GQJFUGXFLOCCKN-UHFFFAOYSA-N 429.594 1.955 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722508492 SMGOYPNKUOUHJA-VIPLHTEESA-N 430.553 1.705 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1722696081 AEKGPLXHDRHSBP-SSEXGKCCSA-N 426.546 1.960 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1722697132 GFMCGGOAIJNNEH-UHFFFAOYSA-N 448.531 1.252 30 10 IDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1727703255 JTFGREJMGCCJPJ-BUNKOAGESA-N 441.536 1.552 30 10 IDEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCCC1 1729327247 FMFYYJHGUGVXJU-UHFFFAOYSA-N 437.548 1.929 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1729351191 HFVDSTCFYOYGMA-GOSISDBHSA-N 445.545 1.372 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729454973 VMRBAUBWPQQJCZ-HFUDNHEJSA-N 436.463 1.790 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1729609624 FPOUWESMAFKISK-UHFFFAOYSA-N 447.547 1.649 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C(N)=O)CCCC1 1740601681 IBYRUNZQHHJWTO-UHFFFAOYSA-N 443.577 1.662 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1740759031 FARYRFFPHAYSIX-IEBWSBKVSA-N 425.599 1.930 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C2CC2)CC1 1740838927 BRCWRXSNTQKWPO-MSOLQXFVSA-N 439.582 1.438 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(=O)NC)C1 1740884945 RJRRTCBUEPQKRI-NRFANRHFSA-N 430.509 1.561 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740885759 NMUZUACEZDEPFU-HOTGVXAUSA-N 425.555 1.225 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCOCCCO 1743234332 IMNNTNRPNOQVCY-MRXNPFEDSA-N 437.508 1.049 30 10 IDEE CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1743984631 FCEYXANHHNSCBP-MOPGFXCFSA-N 447.584 1.282 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@H]1C 1747194113 VZFNZSCNFLFGLE-GOSISDBHSA-N 440.552 1.129 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1747862539 DFGNRLNAZZKJDF-QGZVFWFLSA-N 430.534 1.325 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N2CCOCC2)CC1 1749009829 LWCYDFQWWLXYJQ-AZUAARDMSA-N 444.580 1.206 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1CCNS(C)(=O)=O 1749072821 YEJSWKNXOPVVID-OAQYLSRUSA-N 431.562 1.613 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1750112546 XDSMYNLFZYWPGQ-MRXNPFEDSA-N 428.493 1.059 30 10 IDEE CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1750238840 GLXDRCAPOOSGKX-RKVPGOIHSA-N 442.611 1.493 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(-c3cnccn3)n2CCOCC(F)F)CC1 1750384547 DLOWUALEDJUWEN-UHFFFAOYSA-N 441.446 1.610 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCNS(C)(=O)=O)c1 1760127042 PIOXKIKRJBUUAY-UHFFFAOYSA-N 432.550 1.397 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1760175515 LGWQGZPNPKEEPF-QRWLVFNGSA-N 437.566 1.524 30 10 IDEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1760227286 ARSGFTMAMBNYGF-OAQYLSRUSA-N 428.558 1.757 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CCCCC2)CC1 1760259846 HVJBSRVLQWRKTO-IBGZPJMESA-N 428.581 1.971 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1760260105 VZVSSICIVYENIM-BGOLNKOXSA-N 441.601 1.854 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760364871 FAPBROMUDYMIKA-GOSISDBHSA-N 429.974 1.964 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCS2)CC1 1760402530 MJONCVAIIUNNDK-IAGOWNOFSA-N 441.623 1.909 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760520631 UZFBDCVPZACYOS-YLJYHZDGSA-N 442.539 1.933 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](OC)C1 1760551026 QZDBDWSZVRGIDN-INIZCTEOSA-N 436.534 1.788 30 10 IDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1764292110 IBENIKWVDOHMDO-UHFFFAOYSA-N 446.577 1.886 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN2CCCO)CCOC1 1765856672 BKWLTIXNSYYEOF-UGKGYDQZSA-N 432.569 1.517 30 10 IDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1767387961 PTQIKBLOONIJHO-NRFANRHFSA-N 438.532 1.842 30 10 IDEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1769017966 BMGSRAWUYZIJAH-QHCPKHFHSA-N 447.499 1.882 30 10 IDEE COCCOCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1770139654 CNCJDCIGNWHQQH-HXUWFJFHSA-N 434.472 1.891 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc(-c4cnccn4)n3CCOCCCO)CCO2)c1 1770735924 SAPWTEPQTZUQBO-FQEVSTJZSA-N 435.488 1.584 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 1851560891 KIFFMOQSUBGWLT-IBGZPJMESA-N 443.529 1.665 30 10 IDEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(C#N)nc1Br 1851909067 BQPQWMURDQKWNI-UHFFFAOYSA-N 433.266 1.741 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC1 1852535372 ZKYORNWTJYVZHS-NRFANRHFSA-N 448.527 1.708 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(CCOC(=O)Cc3ccc(C#N)cc3)CC2)cc1 1852536763 RCJVIKVGJPMKEH-UHFFFAOYSA-N 443.525 1.659 30 10 IDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)[C@@H]1C 1854736537 ZQSXNKVFCCQFIW-INIZCTEOSA-N 437.537 1.862 30 10 IDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1861263046 GUVMUTABIRXHFR-QGZVFWFLSA-N 430.892 1.216 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N[C@H](C)CC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865725502 DQXGYXYXYRDMLK-CZUORRHYSA-N 440.500 1.258 30 10 IDEE Cn1nc(C(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)cc1-c1cc(F)ccc1F 1867098743 BMJCUMMJKWVMBP-GOSISDBHSA-N 425.395 1.966 30 10 IDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870568071 RRMLBSWFZMEYBB-UHFFFAOYSA-N 426.517 1.490 30 10 IDEE Cc1c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Br)nn1C 1881502139 VXZPVMSBARMXTL-STQMWFEESA-N 427.347 1.936 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1895863753 APBJVNAFBDVJIS-XHSDSOJGSA-N 425.526 1.637 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(I)cnn1C 2015736072 SAGWNVOCKSOLAC-GFCCVEGCSA-N 446.289 1.948 30 10 IDEE C=C(CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2020910361 WGBIQGOGFIAURR-AWEZNQCLSA-N 444.359 1.324 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cnccn3)=C(O)C(=O)N2c2nncs2)cc2c1OCO2 2033815649 MYWOCGUXKWYMFK-AWEZNQCLSA-N 439.409 1.848 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2081009472 OGRXQYGVWFJARN-JYJNAYRXSA-N 438.330 1.118 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243373226 UXUHLBGRPPQWNH-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390418 UZNMSJGGYGKLMA-LLVKDONJSA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2243423373 XTBBKBRFKHPTJW-ZDUSSCGKSA-N 426.344 1.663 30 10 IDEE CON(CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2243687647 ZPXKNPLYEBPLQE-UHFFFAOYSA-N 428.320 1.386 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2248402853 BMEAASRLZWVJKB-LBPRGKRZSA-N 441.721 1.858 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416484 STHUONBMUAERMU-RYUDHWBXSA-N 438.359 1.749 30 10 IDEE CCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2248420531 VZKJWXPGVZNWKL-UHFFFAOYSA-N 438.359 1.845 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2255641151 ONAAXJJFILEPDG-FICVDOATSA-N 430.314 1.371 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255697058 CTAGEXVWSMXHTD-OAHLLOKOSA-N 437.346 1.282 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255701233 OEWGZEZSAPDYDH-HZPDHXFCSA-N 433.314 1.403 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2255840600 OXJCDNZINPSMEC-FQEVSTJZSA-N 435.334 1.244 30 10 IDEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256622510 IEEBTJMAWYSEGO-KRWDZBQOSA-N 434.342 1.830 30 10 IDEE CC(C)(C)OC(=O)N1CC(Oc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)(C(N)=O)C1 2256927872 OCQPGKWIEHGJLZ-UHFFFAOYSA-N 437.277 1.374 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007731 AMYNLNDPQBFRKS-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267166275 PUHQBGDTYFPHJY-NUEKZKHPSA-N 444.341 1.761 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2267268920 AXULMINHCCMQNN-QWHCGFSZSA-N 449.361 1.536 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2267542581 UBOWZZOSIJFSHO-MGPQQGTHSA-N 447.345 1.100 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)n1C 2315524555 SGWCMFSVIPODER-CYBMUJFWSA-N 436.318 1.308 30 10 IDEE CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2C#N)c2ccc3c(c2)OCO3)CC1 20614283 YCSDCSJVZDFYBV-LJQANCHMSA-N 435.484 1.330 30 10 IDEE CC(=O)O[C@@H]1[C@H](COP(=O)(OCCC#N)OCCC#N)O[C@@H]2COC(C)(C)O[C@@H]21 22047098 YDWCHPGRHWOJBO-QXSJWSMHSA-N 432.366 1.822 30 10 IDEE in-vitro Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 33811860 SOMYRFFYRQHAFO-RIYZIHGNSA-N 432.527 1.842 30 10 IDEE CC(=O)O[C@H]1[C@@H](COP(=O)(OCCC#N)OCCC#N)O[C@H]2COC(C)(C)O[C@H]21 96077763 YDWCHPGRHWOJBO-XUWVNRHRSA-N 432.366 1.822 30 10 IDEE in-vitro C#CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 111192281 WXLAKFUMCRUUPL-GFCCVEGCSA-N 433.313 1.841 30 10 IDEE COC(=O)c1ccccc1N1C[C@H](C(=O)Nc2c(C#N)cnn2-c2ccccn2)CC1=O 170525978 SOVRWZRBYJKPGR-CQSZACIVSA-N 430.424 1.917 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1C 443929467 SFRWYETWDJZJDL-UHFFFAOYSA-N 435.937 1.763 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)cc1 476220444 NHZBQNHGTNJIIU-NRFANRHFSA-N 425.533 1.555 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 482306938 DTFRUDUOBTYHJR-CJNGLKHVSA-N 437.468 1.471 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C2CC2)c1=O 541795816 LAOWPLJBVQWVGH-UHFFFAOYSA-N 426.498 1.737 30 10 IDEE CNS(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1ccc(Cl)c(C#N)c1)C2 551220537 PGYNJFIAXJHXDD-UHFFFAOYSA-N 425.919 1.867 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2=O)cc1 556525102 FAOIQXVJMKIEIV-SFHVURJKSA-N 449.442 1.234 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 558982134 BHVQVFOHBQWZJN-OAHLLOKOSA-N 440.595 1.842 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC)ccc32)cc1 571907230 KSLPPXVVOCLPNU-UHFFFAOYSA-N 435.527 1.262 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCSC[C@H]1C#N 572916998 ZOPFTIBWCFFYSZ-OAHLLOKOSA-N 438.575 1.103 30 10 IDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 583000007 OSAHKHJNACQSSY-IBGZPJMESA-N 427.482 1.353 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)CC1 609639427 NYNCGEHJFAAYMN-INIZCTEOSA-N 431.566 1.153 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@@H]1CCCO1 609739128 ALIZRBKPBQOWJE-INIZCTEOSA-N 427.501 1.342 30 10 IDEE CN(CCN1CCCS1(=O)=O)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 610618526 NCQXBZHYCOCRHE-UHFFFAOYSA-N 447.517 1.517 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611915996 BVHWUFGSQHDCKK-UHFFFAOYSA-N 432.505 1.155 30 10 IDEE COc1ccccc1OCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 616171717 GDCPIZHHKQTMHB-UHFFFAOYSA-N 444.513 1.662 30 10 IDEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1S(=O)(=O)NC(C)(C)C 740496617 YGMLNECATKQBGM-MRXNPFEDSA-N 447.561 1.209 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCCN(C)C)C(=O)N1CC(=O)NC(C)C 741452341 FNAZCRGXZMNMNL-SFHVURJKSA-N 447.605 1.909 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 743916958 BFIKSQGKWLWYHQ-HNENSFHCSA-N 430.436 1.728 30 10 IDEE COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1C#N 746878027 QPHVKFANSXZGRY-UHFFFAOYSA-N 445.497 1.526 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2ccn(C)c2)C1=O 748095543 NLJXFPBIOLJGKV-IPQBESIJSA-N 442.589 1.531 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1 750432533 FTEJHADTTFWYLU-CQSZACIVSA-N 445.497 1.930 30 10 IDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 768761064 LZCUKJDCGIJKFB-FQEVSTJZSA-N 432.502 1.395 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cncc3ccccc23)c1=O 772905204 WGRWHDNYJFSVTH-UHFFFAOYSA-N 436.537 1.522 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)CCCOC)cc1)[C@H]1CCS(=O)(=O)C1 774059347 UZRCGSAZLCSEFJ-INIZCTEOSA-N 428.532 1.151 30 10 IDEE C#CCN(C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 774149239 VTZKOXLWHSYVOY-CYBMUJFWSA-N 448.423 1.857 30 10 IDEE C#CCN(C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774172782 SASWLUAVDDFHOS-HXUWFJFHSA-N 431.558 1.442 30 10 IDEE CSc1ccccc1NC(=O)CN(C)C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780214168 KHVFKLJUTAPBEU-HXUWFJFHSA-N 427.482 1.954 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1 791128514 QLSDZBVOZKJISY-OZNYCYRCSA-N 432.502 1.051 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cc(C#N)ccn1 803848842 KNPIXGRFRLNKDX-LBPRGKRZSA-N 432.458 1.396 30 10 IDEE CC[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)OC 809942482 VEUUISISAZVLEB-FUHWJXTLSA-N 431.562 1.983 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)ON=C(N)c1ccc(F)cc1 852297188 FMSBBYFHDRBVRJ-LBPRGKRZSA-N 438.481 1.749 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCN1CCOCC1 920394964 IURRPADSOVEWSR-UHFFFAOYSA-N 436.537 1.057 30 10 IDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccccc3OC)n2N)c1 1084388561 YASJPSYHJQYXFU-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@](C)(C#N)CN(C)C 1128703927 QZKCJJALVIUQRS-MJGOQNOKSA-N 434.338 1.938 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)s1 1151537055 HHFXOWPGQZXBLC-HNNXBMFYSA-N 436.559 1.752 30 10 IDEE Cn1c(=O)oc2cc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c(F)cc21 1161232688 XWGISZMTKHGNQC-UHFFFAOYSA-N 432.433 1.728 30 10 IDEE C#CC[C@]1(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1175780389 VFIRGHLDQGONFR-FDDCHVKYSA-N 430.501 2.000 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CCOCC3)CC[C@@H]2CO)s1 1178471002 QUXOXEDFZKEDNY-OAHLLOKOSA-N 428.576 1.535 30 10 IDEE CCn1c(O)nc2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)ccc2c1=O 1184273958 ZGUJWXVYPPSUGK-UHFFFAOYSA-N 436.424 1.640 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 1191502582 IYVUAAMGMSTGMN-UHFFFAOYSA-N 448.770 1.299 30 10 IDEE CCc1ccc([C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N(CC)CC)cc1 1229300728 AVDGRPMDMJEECI-LJQANCHMSA-N 426.521 1.765 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1234635883 DCVUYFVASQUGNX-BZSNNMDCSA-N 434.537 1.421 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC2CCC(C#N)CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1235440854 UTBCEKJPACBDAJ-BACDZXNISA-N 440.566 1.744 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1286296659 QODNWAFPCFEMAZ-GJZGRUSLSA-N 425.555 1.553 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286344840 KHRYSVZCYZAZJT-SFHVURJKSA-N 440.533 1.348 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nnc(C)s2)CC1 1286485087 UQSZMNDKJFBSCQ-UHFFFAOYSA-N 442.574 1.233 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286488214 WUSUHKSTDMMFNK-INIZCTEOSA-N 445.545 1.247 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1286516166 XSKSQAIZBHNLTE-NHCUHLMSSA-N 436.578 1.747 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286554425 HITOMWHTNLFDSM-SBHAEUEKSA-N 440.548 1.971 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@]1(OCC)CCOC1 1286613835 GOSCCADCWPNCTK-UTKZUKDTSA-N 431.541 1.993 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1286807462 PDEVVHKEPRZDRF-DENIHFKCSA-N 446.573 1.508 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OC)C1 1286820009 BPJUZWBTXIOIED-CRAIPNDOSA-N 434.518 1.617 30 10 IDEE CC(=O)Nc1cccc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1286897775 AUSKSAOQPNLBEV-UHFFFAOYSA-N 433.520 1.833 30 10 IDEE C[C@@H](Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C)N1CCOCC1 1288679457 ZHTJPZRHTPOUKV-HNNXBMFYSA-N 425.537 1.831 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CCC23CC(CN2C(=O)OC(C)(C)C)C3)CC1 1292890404 XZAVUNUISFHJBH-UHFFFAOYSA-N 432.565 1.450 30 10 IDEE CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1293668578 VAQQECWXJIYPCA-KJPDOMRESA-N 444.565 1.448 30 10 IDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1297547107 LZYOFVAZXHRTJE-UHFFFAOYSA-N 429.500 1.790 30 10 IDEE C=C(CCN(C)C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1299351464 QJJYCFAGRSLOMQ-MOPGFXCFSA-N 449.596 1.889 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 1300650312 SZNCVROKMQHWAM-UHFFFAOYSA-N 448.502 1.902 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1300764657 ZPLJCRDFICQSLP-ZDUSSCGKSA-N 437.538 1.069 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 1300889591 CVGQBLZYKCPCDC-AZUAARDMSA-N 442.568 1.582 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1301347299 TYTXEECNNFDHSP-OAHLLOKOSA-N 430.538 1.258 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301511776 FDINAZWYHPRZDG-XOMICKMZSA-N 439.520 1.673 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301512085 LJNGYMWYZHIHHZ-QQMHEVNUSA-N 437.504 1.729 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCO 1301965489 KUYAZBDGILDRRK-HNNXBMFYSA-N 425.493 1.187 30 10 IDEE Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304869752 ZBTFRLXBWIKSBC-NQKFGRBQSA-N 444.442 1.969 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1305534198 PWOLOJBCJRUVDF-MRXNPFEDSA-N 448.535 1.538 30 10 IDEE CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C[C@@H](O)c1cccc(C#N)c1 1307910182 VFFNAMRYWHDSDN-OAQYLSRUSA-N 442.541 1.947 30 10 IDEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)N2CCO[C@@](C)(C#N)C2)CC1 1312733443 KEEFRIJICLAGMH-KKSFZXQISA-N 434.562 1.940 30 10 IDEE CS(=O)(=O)Nc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1326268412 BGFRLRLAKAJZFO-MRXNPFEDSA-N 441.465 1.709 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1358873785 OBWNZDPVURNAII-VTFIKYRWSA-N 442.520 1.303 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1358933366 QTFRROULARTKJR-UHFFFAOYSA-N 426.481 1.760 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)COC 1358948891 OHJXPRYCDUYZAN-MRXNPFEDSA-N 427.571 1.133 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1358958270 KNJBAVKDFWHBAE-IBGZPJMESA-N 427.530 1.606 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1358978771 UFSBXWPANHZRME-SFHVURJKSA-N 438.553 1.993 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2noc(CC)n2)CC1 1359031339 YNSAEWJJAMRCRC-QFIPXVFZSA-N 443.552 1.262 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC(=O)N(C)C)CC1 1359032045 ZBPSVKWQULZVLF-MRXNPFEDSA-N 426.590 1.975 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCOC)CC1 1359032649 XAYIBSUXPUZQHM-UHFFFAOYSA-N 435.536 1.493 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359284425 NULSWBWQAUSVOY-OAQYLSRUSA-N 431.562 1.836 30 10 IDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1361284597 HVYWUWYXTGJBKH-SJLPKXTDSA-N 432.550 1.706 30 10 IDEE C#C[C@H]1CCCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1439980787 KHLFATSVTAHGJX-HNNXBMFYSA-N 429.498 1.589 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(Cc3cc(C)on3)CC2)s1 1442917713 ODHVFQAHFKZHDS-UHFFFAOYSA-N 438.575 1.786 30 10 IDEE COc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c(I)c1 1447674694 CGVSMHYMLJJDRA-UHFFFAOYSA-N 440.197 1.463 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)cc1 1465259075 KYVCRDZMXVESOZ-QGZVFWFLSA-N 434.522 1.446 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)n1 1466220288 WEXIOSBMLJEMBM-UHFFFAOYSA-N 445.545 1.814 30 10 IDEE Cn1ncc(C(F)(F)F)c1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1470498585 LIKWDIIDCHAXRF-UHFFFAOYSA-N 429.424 1.574 30 10 IDEE N#Cc1cn(CC(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)c(=O)nc1O 1472500589 JPTGOJUGEUXLHI-UHFFFAOYSA-N 425.832 1.502 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 1473240059 UGEMGGNPYOXPFT-UHFFFAOYSA-N 443.529 1.871 30 10 IDEE C#CCC1(NC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CCC1 1478304754 HBUZEJNBFPNMBQ-UHFFFAOYSA-N 443.547 1.036 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1503603806 QBLLMVPVZJZCHW-UHFFFAOYSA-N 428.562 1.950 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504680435 PGILFPAXVBZALK-UDJKBAMHSA-N 425.493 1.662 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1507632589 NVTRRUGGPZWFNF-OALUTQOASA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507633481 FAVXGBIHWVTSLL-LJQANCHMSA-N 429.546 1.317 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1507635585 XPFKYNZNTSQFCW-SFHVURJKSA-N 435.594 1.506 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507642651 YAJHKISPPVRRSY-ZFGGDYGUSA-N 443.592 1.891 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1507712214 CYWDFTKDSYTAKY-UHFFFAOYSA-N 430.509 1.254 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1507713972 DNWUJAYUVJETQL-OAQYLSRUSA-N 427.530 1.683 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2CC)CC1 1507715563 DCSCYDZDZRILRR-UHFFFAOYSA-N 426.569 1.078 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1507820911 PNUMGNUDOCTVKG-HOTGVXAUSA-N 430.596 1.550 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)S(=O)(=O)CC)CC1 1507876773 USJMCEJAVUKEFE-UHFFFAOYSA-N 447.565 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508072339 JGIJIZHGNMPOKX-PBHICJAKSA-N 430.465 1.396 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1508079211 PNNQKFVPDPKMEK-HXUWFJFHSA-N 437.592 1.772 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)CC(F)(F)F)C1 1508121983 HHEBWBKZLGGDJP-CABCVRRESA-N 430.475 1.895 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)C1 1508123609 IZVCDYCUAMDQCV-ROUUACIJSA-N 447.561 1.191 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508183006 KPPJCEASEQDVGV-OZNQOIHVSA-N 443.552 1.407 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1509637727 IAQZFMLVGLXTMT-KRWDZBQOSA-N 426.518 1.216 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1511974966 YJUGSYKPZZPQTI-OAHLLOKOSA-N 433.472 1.393 30 10 IDEE CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516850440 GYSHGWQIPZJTHC-OTWHNJEPSA-N 444.561 1.465 30 10 IDEE COc1cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccc1C 1517981098 CNUINSDGWBZCKX-NVXWUHKLSA-N 448.549 1.177 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(C(=O)N3CCCC3)n2)c1 1518827674 VWGSYFAJHHPZNO-UHFFFAOYSA-N 446.507 1.805 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC[C@@H]2CCCO2)c1 1521082828 OLXVINYETLPWLB-IBGZPJMESA-N 429.546 1.971 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1539038479 POHDXJNNNRRNLE-HRCADAONSA-N 439.582 1.941 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1539326408 VJOHEKRXMKYERZ-SFHVURJKSA-N 434.562 1.229 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOC1=O 1539332258 JQYRPPGASPMAKV-UHFFFAOYSA-N 431.500 1.822 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCO[C@@H]2CCOC2)CC1 1539434205 CNIYBAGGVXXPNI-OAQYLSRUSA-N 425.533 1.905 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCSCC)CC1 1539435828 CEYKXGSESQDDBQ-UHFFFAOYSA-N 437.577 1.819 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)CC1 1539452376 QTRFAOZYGPUSQA-GOSISDBHSA-N 429.546 1.014 30 10 IDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCS(C)(=O)=O 1539514327 XSSWFLGTFSSDCS-UHFFFAOYSA-N 444.586 1.978 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540865811 SQUNJKMQMNGCDC-UHFFFAOYSA-N 427.509 1.487 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1540870455 NVSUSMOLMOUQSS-BZSNNMDCSA-N 448.568 1.189 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCOCC2)C1 1540895562 VILBKALLWRLQMT-MOPGFXCFSA-N 432.569 1.150 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)NC2CC2)CCOC1 1541726156 UZOBMPYRYVVVJK-LEWJYISDSA-N 434.516 1.819 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541800498 AZYFDJLKGUISAV-GJZGRUSLSA-N 446.533 1.694 30 10 IDEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)cc1 1542244782 ARHUVXKYTPHRMH-UHFFFAOYSA-N 435.532 1.993 30 10 IDEE C#CC[C@H](COC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1543469787 NMVGEFXODQBUJV-QGZVFWFLSA-N 446.573 1.835 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1554979169 KRGMITDENBLWSB-NQIIRXRSSA-N 429.477 1.400 30 10 IDEE C#C[C@@H](C)N(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1559797200 KBLWZQOGTYTTFY-OMJMQIJPSA-N 431.539 1.686 30 10 IDEE C#C[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCOCC1 1563967825 STRIAWIMRPFYMQ-OALUTQOASA-N 428.537 1.010 30 10 IDEE C=CCC[C@H](NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)OCC 1569184578 RZDSTHSQNVMZJE-HNNXBMFYSA-N 427.523 1.897 30 10 IDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(C)CC1 1585114861 DUBRIHUZCBNDMQ-UHFFFAOYSA-N 439.965 1.531 30 10 IDEE C=CCOc1ccccc1CN(C(=O)CNS(=O)(=O)NC)c1ccc2c(c1)OCCO2 1585492577 MJZGPMJDISMTSC-UHFFFAOYSA-N 447.513 1.610 30 10 IDEE C#CCCN(CCOC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1585574100 RBUZAJYGGGAIAW-BRWVUGGUSA-N 428.551 1.155 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCc2nnc3n2CCCCC3)s1 1586053998 DRQKVICCFSXHNL-UHFFFAOYSA-N 437.591 1.822 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1588228382 FDMXJEHJVGLZGB-KRWDZBQOSA-N 430.505 1.839 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1588434023 VCGSZWARYRVNIR-UHFFFAOYSA-N 440.523 1.884 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(C)(=O)=O)C1 1595700172 LIFAGCPFXBZONF-KRWDZBQOSA-N 442.545 1.824 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)nc2)C1 1595743903 HHAODAXRGAWMDL-SFHVURJKSA-N 439.520 1.584 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1610337927 UUKKIHJLVUVICC-HRAATJIYSA-N 434.541 1.339 30 10 IDEE Cc1noc(C[C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1611478917 OQGDGPONOYHITC-FUHWJXTLSA-N 436.472 1.936 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)C1 1611766859 CTTXLXBHZIAJQU-KDOFPFPSSA-N 437.957 1.860 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)cc1Br 1612045398 KRLTWPYFDOPZBA-AWEZNQCLSA-N 433.310 1.833 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cs1 1612412259 MHXQWOIYHSOHDY-GDBMZVCRSA-N 436.563 1.187 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1615133556 CLJPDDFDFSTMBA-UHFFFAOYSA-N 439.520 1.312 30 10 IDEE COCCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1619858507 BMZXCCZYMGOLJA-LJQANCHMSA-N 435.488 1.927 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 1629160690 VLHRZHMJJNSBTH-OAQYLSRUSA-N 439.537 1.468 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1632066688 AFGFRVPYYQQYGL-SJORKVTESA-N 448.907 1.727 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2(OCCO)CCOCC2)C1 1633674477 CTRWRYZNQLCGKQ-UHFFFAOYSA-N 438.322 1.431 30 10 IDEE C=CCOC[C@H](NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C(=O)OC 1635158738 JDHWSSAQWIGPTF-SJORKVTESA-N 436.509 1.929 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)cc1 1646112068 XRXLKJXJIKCUIE-IBGZPJMESA-N 428.466 1.347 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#C[C@@H]1CCCCO1 1648586778 SLDTVLITUWJZFP-RDJZCZTQSA-N 428.551 1.914 30 10 IDEE COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1653443281 FNKMCAWDPFGIBI-LJQANCHMSA-N 442.541 1.968 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCn3ncc(I)c3C2)cc1 1655683621 JABWJSBOEREWIE-UHFFFAOYSA-N 442.282 1.649 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc(Br)ccc2C(=O)OC)nn1 1665451428 LUGYDTURXPVWKZ-UHFFFAOYSA-N 429.296 1.882 30 10 IDEE COc1cc(Br)ccc1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1671944430 KULVXNNRSMTFPK-UHFFFAOYSA-N 434.250 1.358 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1686341196 DXYJUQHXQLEFLA-QGZVFWFLSA-N 447.561 1.209 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1689852471 FRJTVZYBNKQTMP-QFBILLFUSA-N 449.552 1.841 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1689864896 KFDPEHVJCFBUHR-INIZCTEOSA-N 427.505 1.606 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1690050249 YHYLNXCFICIGLD-GHVJWSGMSA-N 446.486 1.997 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690110237 DGVTVVQACYMFQQ-SFHVURJKSA-N 426.540 1.814 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1690307094 OTMWJPBASFCFOA-UHFFFAOYSA-N 442.564 1.757 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690311728 SJLNPWQZSYUMOW-RTWAWAEBSA-N 432.613 1.981 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690319601 SCXWZLHGGFKPMO-QGZVFWFLSA-N 446.577 1.967 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690451697 NMLWZMNFVVZPDF-GJZGRUSLSA-N 428.559 1.522 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@@H]1C 1690508676 MZSHDYSHZLOXOP-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1690672771 CSOZZFHNCVCWKH-SFHVURJKSA-N 440.548 1.588 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1692561496 GVLDWMNAYJVNMI-GOSISDBHSA-N 436.520 1.382 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1692851454 CDAPWANBFXLDTC-ZUOKHONESA-N 426.456 1.282 30 10 IDEE CC[S@](=O)CCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696514608 GWZGRBQVXXHLJB-PMERELPUSA-N 425.518 1.587 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696922423 YHJWGAOBJARRCE-XKONBMNXSA-N 441.536 1.425 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492685 FEOULVXHCLHJEE-PXNSSMCTSA-N 449.490 1.476 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1705533738 ZLMYBOYHOMOXPU-LEWJYISDSA-N 439.560 1.757 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705563953 IJYADMXFAYCTKG-GOSISDBHSA-N 428.562 1.172 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705584492 MIFCLTLRMGSRSU-XMMPIXPASA-N 440.551 1.952 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1705587020 FJNPLIJNHFECIT-IUKKYPGJSA-N 443.548 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CCOC)c1 1705595652 AOMMKXVZBLVXGM-UHFFFAOYSA-N 435.488 1.360 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2sc(C)nc2C)CC1 1705648596 YWUYWYVFFCHFCB-INIZCTEOSA-N 441.561 1.317 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1705844104 VYUJUIFKKIGUOA-OAHLLOKOSA-N 443.570 1.643 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@H](C)CC)C1CC1 1705855060 UVYJPJIZTVHXCI-OXFYSEKESA-N 441.598 1.563 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705934762 WNLWNBHDWMKRDH-GOSISDBHSA-N 434.566 1.557 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@](C)(O)c1ccccc1 1706866790 ALURSBNSIJFBHM-HRAATJIYSA-N 446.577 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1722278510 MMKQFJMWWMYRCP-AWEZNQCLSA-N 431.566 1.529 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1722295735 LLJHNJAIEPOCOL-PKOBYXMFSA-N 429.546 1.782 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1722343383 BOLOBJROZYROMB-OAHLLOKOSA-N 432.550 1.722 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722366335 HZOCJIBSPTYSPE-CHAGWJKLSA-N 428.624 1.651 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722452187 BWKIWZIJWLQVHE-UHFFFAOYSA-N 444.540 1.136 30 10 IDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1722457869 QFJSPFBANWYREJ-INIZCTEOSA-N 449.540 1.770 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)C1 1722496074 IYEHAHUDIMGHCQ-MGPUTAFESA-N 427.505 1.880 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722538336 NVHHRYGOEUDESJ-VXKWHMMOSA-N 433.553 1.770 30 10 IDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1722551513 ACGJTDYUQZRUCL-ZIAGYGMSSA-N 440.932 1.651 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1722688864 NGLNNPCNOLXVTF-HIFRSBDPSA-N 449.556 1.643 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1Cc1ccc(C#N)o1 1723559610 IACHCFMBALQQPJ-UHFFFAOYSA-N 443.552 1.724 30 10 IDEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1728959612 BNCZNEDLDNZLEE-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCO1 1730844822 LJLKMIGSJQYQCX-WMLDXEAASA-N 428.493 1.716 30 10 IDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CCC(N)=O)CC2)o1 1731184271 GUMAFDIDHVTSRR-UHFFFAOYSA-N 425.493 1.395 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740623253 QLNMIIIITZJXNI-OQRWROFFSA-N 426.608 1.720 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 1740718525 PYTICQULMSGCKS-UHFFFAOYSA-N 440.577 1.097 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1740884841 OHSARZBGFATGCP-UHFFFAOYSA-N 444.536 1.903 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnc(C(C)C)nc1 1740951180 RXUNVOQITNDCQM-UHFFFAOYSA-N 426.525 1.366 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C1Cc2ccccc2C1 1740990019 GCTDQXFQCHBLJS-UHFFFAOYSA-N 426.546 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(F)cc(F)c1 1740990462 AMKFXUYAJXYEEC-INIZCTEOSA-N 439.488 1.745 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC[C@@H]1C 1740994468 ONXRVZAQFKVHRF-KRWDZBQOSA-N 434.562 1.898 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCCC2=O)CC1 1749667295 XKOKYCOSFUQEJA-UHFFFAOYSA-N 437.548 1.932 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749676397 PDMWDOBENDCQDW-LJQANCHMSA-N 437.548 1.309 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749751832 BRENLGHRKWRGDZ-MRXNPFEDSA-N 449.606 1.659 30 10 IDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1749779457 DUDRSDMRXGZATC-UHFFFAOYSA-N 437.504 1.858 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1750026200 FVOSMASTOMPQMQ-NXHRZFHOSA-N 445.568 1.093 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1750062616 XCHWRXIXZBYMMH-VWKPWSFCSA-N 425.493 1.859 30 10 IDEE CS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1750217328 JKLAGRWOHHPTFW-QGZVFWFLSA-N 428.440 1.138 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1751005459 BGKCXIIUSSSLIB-GOSISDBHSA-N 432.550 1.120 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1760116431 HEUZTNDJYCKGOQ-CVEARBPZSA-N 443.639 1.991 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760135194 MDYFJXMLIKWOSA-QZTJIDSGSA-N 425.537 1.906 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1760188469 AFAMMAZRLAYPBF-SFHVURJKSA-N 431.562 1.563 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1760190057 XTNZYLFUMHDSSN-CEXWTWQISA-N 438.594 1.860 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](CC)N1CCCC1 1760248199 DPONRRDFGZJRCF-KRWDZBQOSA-N 428.537 1.966 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)SC)CC1 1760260094 LMADQJKWDBMGRW-MRXNPFEDSA-N 447.634 1.745 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760286154 DGRAIXUKVBWUOF-CNNODRBYSA-N 449.621 1.454 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1760418894 AXQAARUZRUZZEJ-YLJYHZDGSA-N 425.599 1.429 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760528158 UEQYEZAVXVNSDN-QGZVFWFLSA-N 430.484 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2nccs2)C1 1760552529 REJVAQSUEMMFTA-INIZCTEOSA-N 446.558 1.975 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(F)(F)F)CC2)c1C#N 1762399735 AKNYGPPSBKULCT-UHFFFAOYSA-N 439.446 1.219 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1762700994 RQOCNDACGLYJJH-PBHICJAKSA-N 446.458 1.820 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1767540507 GJENMVQWYWSARE-WAIKUNEKSA-N 438.532 1.973 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1770741083 VSRRYSJUBYIFRZ-IAGOWNOFSA-N 430.415 1.882 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCN(C)C1=O 1849199641 NURYIIKHSOKOET-SJORKVTESA-N 425.938 1.738 30 10 IDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850085997 NCOZYJPCRFFPRR-SFHVURJKSA-N 442.944 1.984 30 10 IDEE N#Cc1cc(CNC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(F)cc1F 1853272716 ODZKMSHRMRDSNZ-FQEVSTJZSA-N 433.480 1.794 30 10 IDEE N#C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1853389535 JHHQIWQVSMKASO-SMDDNHRTSA-N 426.292 1.501 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)Cc4cccs4)C3=O)CC2)CC1 1853676003 YMAQWQSPCAUJPH-LJQANCHMSA-N 428.558 1.892 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1854286679 IXHCZRNJVWUQIA-ZWKOTPCHSA-N 436.509 1.342 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 1984792327 XUFHNZPGFMUMJO-KBPBESRZSA-N 425.482 1.436 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2009980436 WFTQSFLBMDGQRW-LSDHHAIUSA-N 439.509 1.826 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2127788673 JCYGVAKZQQHFTB-SFHVURJKSA-N 448.369 1.920 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243398499 QHPOPTQPQCCMCG-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619404 OXJYAXBPXNBRTO-GHMZBOCLSA-N 430.236 1.381 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255630235 HKZQXYJSRYVQSR-KBPBESRZSA-N 434.346 1.671 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255693863 JKAIBDZFZYZIMW-STQMWFEESA-N 435.334 1.005 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2255886492 JKOUQFLMYSOXBE-GJZGRUSLSA-N 429.326 1.976 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256059381 KESHIEIIIWKLJS-KBPBESRZSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2256067297 NHCHKIUHQMOBET-WDNDVIMCSA-N 430.314 1.371 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2257490809 HPZSFIRIDZWJNS-OAHLLOKOSA-N 435.330 1.305 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2267189141 WFOVGGNMGUPUTH-KDURUIRLSA-N 436.365 1.923 30 10 IDEE C[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267873453 YOYCYSYHIGZNMO-NWDGAFQWSA-N 442.247 1.305 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)c1=O 2321656226 KYCFTOCDCRYIBD-UHFFFAOYSA-N 428.426 1.873 30 10 IDEE COc1ccc(S(=O)(=O)NN=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2756469 KVWSXZMNELQSPP-UHFFFAOYSA-N 449.529 1.727 30 10 IDEE C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OC)c(OC)cc21 13792076 HWNYFIJDKWUJKL-UUPHZHHOSA-N 437.543 1.452 30 10 IDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1 20293144 OIHDYCMFWWVAGE-FOKLQQMPSA-N 429.481 1.994 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 109935795 GSZZBXYGPQPVCS-TZMCWYRMSA-N 426.420 1.809 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)CC1 438539203 WINQTLPWGWAAPM-UHFFFAOYSA-N 448.589 1.276 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCSCc1ccccc1C#N 440067642 ALWVFGHFAVHULK-BRSBDYLESA-N 431.514 1.926 30 10 IDEE CCCc1c(NC(=O)C(=O)N[C@@H]2CCN(C(=O)NCC)C2)cnn1-c1cccc(C#N)c1 443694905 RPHHCPLOTFPSJN-MRXNPFEDSA-N 437.504 1.555 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 443904785 WATGFQHXSMKRFK-UHFFFAOYSA-N 434.543 1.286 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 460693550 XIULZAOBYNTVRQ-UHFFFAOYSA-N 446.393 1.797 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 478756040 POGVTEKXNNWWSH-WMLDXEAASA-N 439.493 1.052 30 10 IDEE C[C@@]1(c2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 480865284 JSPVUBNWHVITCB-VGSWGCGISA-N 449.492 1.767 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1C#N 490581215 CFNRSQPSPRSMQF-UHFFFAOYSA-N 431.562 1.930 30 10 IDEE COC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 500309809 DGEJFKSIUYZDIH-FQEVSTJZSA-N 441.509 1.989 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 503092278 JSOPRTGMXMPPHT-HXUWFJFHSA-N 443.566 1.337 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1C[C@@H]1CCCO1 519493239 NFBJZDSMMIUTSA-AWEZNQCLSA-N 429.567 1.518 30 10 IDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 520064783 FKBMQPRNGBHXNR-SFHVURJKSA-N 425.554 1.733 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)CC1 524496896 DNIRACDDQSQVGN-JOCHJYFZSA-N 443.592 1.852 30 10 IDEE N#CC(C(=O)c1ccc2ncccc2c1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 526038105 CLGOKABCYHZXLV-UHFFFAOYSA-N 440.484 1.329 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2OC(F)F)c(=O)n1C[C@H]1CCCO1 538671079 OJERDSCXBNDDBW-CQSZACIVSA-N 449.479 1.248 30 10 IDEE CC(C)CN(C(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 591415429 GKDPSAIPJPOFGQ-QFIPXVFZSA-N 446.617 1.738 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 604001493 HKFYCYYVVJPXJK-UHFFFAOYSA-N 448.479 1.175 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 604523601 WPHHIWGLPNXHHR-KRWDZBQOSA-N 439.493 1.869 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3ccc(C#N)cc3F)CC2)c1 609229230 AKLNYKBIJFDALL-UHFFFAOYSA-N 430.505 1.774 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](N(C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 611090362 SXBZJWMGUMYWNT-VJBMBRPKSA-N 432.613 1.882 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnc(C)s3)c2=O)cn1 726961181 FZWSYMSXYJHAFG-UHFFFAOYSA-N 438.534 1.940 30 10 IDEE CCc1onc(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 749231117 YUNKAXJLXDESEC-UHFFFAOYSA-N 446.485 1.107 30 10 IDEE CCc1c(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)cnc2c1c(=O)n(C)c(=O)n2C 754022575 WIUCAANQDXAILQ-HNNXBMFYSA-N 437.456 1.206 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)Nc1sccc1C#N 755184884 DFAXATAWOMSTEE-CYBMUJFWSA-N 436.490 1.617 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=CC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1 758874455 VLRATEHEGXLTED-UHFFFAOYSA-N 437.566 1.887 30 10 IDEE CS(=O)(=O)CCn1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1=O 760795337 JOZQIUFQCGHOFU-UHFFFAOYSA-N 444.513 1.840 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 774920267 NUTJLQVKJUACCU-LJQANCHMSA-N 442.497 1.657 30 10 IDEE Cc1cc2c(N3CCN(C(=O)NCCN/C(O)=C4\N=CC=CC4=O)CC3)ncnc2s1 780436384 CUTHZNKHQFONTA-FBMGVBCBSA-N 441.517 1.358 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(F)c1 790831032 XPRMNHHOLSZALC-UHFFFAOYSA-N 448.501 1.294 30 10 IDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cn1 793468955 PKPTVFJPOIRYGT-KRWDZBQOSA-N 445.504 1.581 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)=NO1 798972742 GSMCGKGUJWHOGY-ZIAGYGMSSA-N 437.497 1.627 30 10 IDEE N#CCn1cc(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)cn1 811887193 OEVLBNCUCCJIDV-GMSFPVLESA-N 427.464 1.825 30 10 IDEE COc1ccc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cc1O 1083900049 IWSBNCFFBOZCOE-UHFFFAOYSA-N 446.493 1.880 30 10 IDEE C=CCn1cc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)nn1 1126126249 JVERAVWQJWHWCQ-UHFFFAOYSA-N 434.294 1.590 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CCN(C)CC1 1134262722 OAAMHVLNXAYKHN-SFHVURJKSA-N 445.541 1.180 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1135786096 QAJXKVWGHUZQNR-ZZXKWVIFSA-N 426.473 1.822 30 10 IDEE C[C@@](O)(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)c(Br)c1 1136672180 DLJYFMAYDKVRPK-ZWKQNVPVSA-N 426.242 1.438 30 10 IDEE Cn1c(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)nnc1-c1ccccc1 1153964724 NZBLODNKMZPWAV-UHFFFAOYSA-N 427.461 1.891 30 10 IDEE N#Cc1cncc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1 1156108336 YKSQOGPECGXCIG-INIZCTEOSA-N 434.905 1.994 30 10 IDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCN(c2ccsc2C#N)CC1 1192483580 BCJRJXOBMWXZGA-UHFFFAOYSA-N 435.527 1.855 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@@H](O)c3cccc(C#N)c3)CC2)CC1 1196276614 VMZPHOJQTXGPRU-HXUWFJFHSA-N 443.548 1.882 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1248676170 KVBKRDWGBAFFBE-OAHLLOKOSA-N 445.010 1.905 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286322458 FDFLAFVPRPUMFD-UEXGIBASSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286387047 NCOKNDNGOXUMQT-FUHWJXTLSA-N 430.578 1.393 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286389282 HHHNKQAKSHAWSI-GOSISDBHSA-N 440.529 1.362 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1286474376 DQHSMLRJBLLJRA-HXUWFJFHSA-N 433.560 1.540 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1286479587 HMOFOIPVTLMZAJ-VAMGGRTRSA-N 430.597 1.425 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nccs1 1286546778 LPDYSIVLLKXFMO-YCPHGPKFSA-N 440.595 1.962 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1286568192 QPSHWLJKKUVKKE-HNNXBMFYSA-N 442.586 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1286779392 HSBYAHOYCZFIGL-STQMWFEESA-N 437.342 1.962 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1286787335 RUQCBSBVZYSRNM-MRXNPFEDSA-N 428.541 1.114 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1298094748 XKFATBTXWHBYPO-LJQANCHMSA-N 425.493 1.036 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1299000567 GOSHDTYLHPQVBW-OPAMFIHVSA-N 442.520 1.353 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1c(F)cccc1F)N(C)C 1300431080 SOCNFPOIDDNTRJ-BBRMVZONSA-N 440.520 1.539 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1300850035 VORXDFLOHDOVHG-BMFZPTHFSA-N 426.359 1.848 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300926148 WRQRHUFBQBMSMX-UHFFFAOYSA-N 433.557 1.347 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1301222723 DPOMQJZQHLTJAN-JKSUJKDBSA-N 429.612 1.909 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(=O)N2)C1 1301543184 ISMNYYUGHZTVFV-SJORKVTESA-N 445.545 1.409 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncn(C)n2)C1 1301545318 FJFSYLIHEVQVHA-MRXNPFEDSA-N 425.493 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cnccn2)CC1 1301579507 SZYICNKKTLQEEX-UHFFFAOYSA-N 442.549 1.001 30 10 IDEE C#C[C@@H]1CCCCN1CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1308144087 YSEKQPFTYASPRG-GOSISDBHSA-N 439.516 1.047 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c(C(F)(F)F)c1 1309625270 FLRFRNMSDIZHFM-UHFFFAOYSA-N 446.451 1.772 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2ccccc21 1358948787 LFZWGBQMKKUSIN-AZUAARDMSA-N 443.573 1.801 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358977352 KRSYOZVMBVWBKN-IBGZPJMESA-N 428.500 1.548 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358995200 IWJIWRCPYNQZCJ-UHFFFAOYSA-N 444.532 1.411 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccoc2)CC1 1359041811 JLKUBKUHNQGIBH-QHCPKHFHSA-N 441.532 1.926 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359048615 WUSLHPIQJYJBKL-HKUYNNGSSA-N 448.637 1.720 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1359107708 SSVSJFVOEMDXGX-MRXNPFEDSA-N 444.565 1.920 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1359142127 AYLNYKNARYHXJN-ZDUSSCGKSA-N 430.962 1.090 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1NC(=O)CC1(C)C 1359281028 MGFDCSQZJYCWBP-MRXNPFEDSA-N 430.509 1.559 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1359293863 BYBGEAPAGQCNGD-GASCZTMLSA-N 449.602 1.981 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359297294 LRAQRUSSQWKBCS-QGZVFWFLSA-N 426.521 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359331940 KWSREZPTBIIVPA-MJGOQNOKSA-N 437.610 1.693 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1359632569 KHKNTXOOUHAVML-APWZRJJASA-N 440.504 1.682 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1360475808 DSYHLIRDQXZNRA-VXGBXAGGSA-N 441.451 1.836 30 10 IDEE N#CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F 1462890816 HLYGROJUHAQLAW-SMDDNHRTSA-N 434.396 1.956 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCC3)CC2)cc1 1470557724 CBUFVWWEPXOFHW-UHFFFAOYSA-N 434.518 1.573 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OCC 1471117338 BWTNLUODBMBTJK-LLVKDONJSA-N 439.715 1.901 30 10 IDEE COc1ccc([C@@H](C#N)N2CCN(C(=O)CSc3ncc(CCO)cn3)CC2)cc1 1473075166 GTXXBSQCVXWJKV-LJQANCHMSA-N 427.530 1.521 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1501432152 LQRHGCAZKMQCSL-QFIPXVFZSA-N 437.504 1.066 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)OC)C1 1503274086 OKQGYWHLLMIQEI-KRWDZBQOSA-N 446.533 1.145 30 10 IDEE CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1503807363 ZPZWNPRNHZNEBZ-LJQANCHMSA-N 437.548 1.883 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507654267 CMVIROHVSFTYAF-LJQANCHMSA-N 441.557 1.520 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1507669063 GXLNDORQTGBXDM-HNNXBMFYSA-N 433.559 1.294 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507791615 OCTWLCIQEHIQED-VWKPWSFCSA-N 432.525 1.428 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)CC(F)(F)F)nnc1[C@]1(OCC)CCOC1 1508148208 GUAVFNVZGABVJS-HNNXBMFYSA-N 426.461 1.530 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1516622003 MYPSNCQUPILTAI-LQWHRVPQSA-N 445.545 1.108 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c(OC)c1 1518103333 AGNIMAQITFDDPC-CJNGLKHVSA-N 441.492 1.546 30 10 IDEE C=CCn1cc(C(=O)NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)nn1 1530100497 YHARVRGMQHIWGT-AWEZNQCLSA-N 432.447 1.678 30 10 IDEE C#CCN(C(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21)[C@@H]1CCS(=O)(=O)C1 1537469582 YPRFNVHRDIKJOM-YPMHNXCESA-N 425.304 1.524 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1539015929 RLRNGLLCRLWGKS-MJGOQNOKSA-N 431.562 1.620 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CCOC)c1 1539039720 FXDNGPZKKKHJPZ-JOCHJYFZSA-N 427.505 1.633 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1539350259 FVGUCKAFXBDSJF-NYHFZMIOSA-N 430.505 1.970 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540019257 FEEYFTVRGZQVLZ-ULQDDVLXSA-N 427.571 1.438 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCOc3ccccc3)CC2)s1 1540388314 OCUORNMJZULBRQ-UHFFFAOYSA-N 449.598 1.978 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@H]1C 1540871382 KLTKVWKTRZCIEB-GDBMZVCRSA-N 447.536 1.745 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1540871463 MHKQWZSVZSYDIX-OAQYLSRUSA-N 439.564 1.127 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCOCC2)C1 1540895565 VILBKALLWRLQMT-RTBURBONSA-N 432.569 1.150 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1nncn1C 1540903016 WKDRKVPGZZUTGF-HZPDHXFCSA-N 435.554 1.591 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O 1540906846 DLXHCXZTYYXEGF-UHFFFAOYSA-N 433.534 1.343 30 10 IDEE CC(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541688587 DMZHDVNVAFRDKN-AWEZNQCLSA-N 425.493 1.232 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1544550808 AZWAYTSGPLRNLW-KRWDZBQOSA-N 437.548 1.330 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ncnn1C(C)(C)C 1555558793 FKJRCRNTYVYVQX-UHFFFAOYSA-N 429.529 1.162 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1555796923 MCFLGBUPEHSUFJ-HZPDHXFCSA-N 437.472 1.864 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1555992800 BXPNHVCXONFFHY-MOPGFXCFSA-N 445.545 1.863 30 10 IDEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)COc1cccc(Br)c1C#N 1556931731 DLYHWLBIJPTOKK-ZDUSSCGKSA-N 428.308 1.945 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 1558074816 JSZLRAODQWKXRE-UHFFFAOYSA-N 436.278 1.153 30 10 IDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)ccc21 1567483502 QYYOZDNQEBGZHL-UHFFFAOYSA-N 428.452 1.912 30 10 IDEE COc1ccc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1570563681 WEMUTRKIUXQDPJ-QGZVFWFLSA-N 428.514 1.488 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1583811541 GSYMXFMETYNLIQ-NMLBUPMWSA-N 447.557 1.160 30 10 IDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1587758657 FUYSRGBQADCACQ-IRXDYDNUSA-N 426.525 1.855 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1587861635 OWVCSTSDXAOECA-SJLPKXTDSA-N 432.550 1.388 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1587893861 JLBKNNIIECHZMZ-QHCPKHFHSA-N 438.532 1.701 30 10 IDEE C#Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)cc1 1587967653 KWDFJCCZKMBZLK-KRWDZBQOSA-N 430.482 1.907 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1588054434 NQCKVXKHAIUURD-IRXDYDNUSA-N 433.578 1.682 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588059747 UDMFUUPHRMLEHY-PKOBYXMFSA-N 427.574 1.918 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588074026 HMHSGGZWZVRWOB-QFBILLFUSA-N 438.575 1.411 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1588138706 HGLUFWZXRFOSMR-HNNXBMFYSA-N 437.447 1.715 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)nn1C 1588194421 VWSOVSMKOBHOHG-UHFFFAOYSA-N 436.541 1.902 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1588845089 UADLTWWWNWKSOW-MOPGFXCFSA-N 438.590 1.961 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(CC)s2)CC1 1588865373 VUEQJCNDTYIUDH-UHFFFAOYSA-N 425.566 1.357 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1)C(C)C 1595171287 SGGSAAHHAQAARR-ROUUACIJSA-N 434.610 1.497 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CCO1 1596632455 BNAJPERITPVXDI-QGZVFWFLSA-N 434.447 1.440 30 10 IDEE COc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc(OC)c1OCC(N)=O 1596979045 VOATURYCEQYZNB-MRXNPFEDSA-N 439.472 1.551 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)OCCCO2 1611658250 AGRMCEZGMGMMIQ-HUUCEWRRSA-N 448.549 1.836 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1612916450 BIHDHZZAEJBHSU-BLRPHQBRSA-N 447.499 1.958 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CCC1 1615985325 RWTIVPOVPPYSEJ-UXHICEINSA-N 434.606 1.870 30 10 IDEE CNC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1618807635 CDSPWMHNUKELDT-UHFFFAOYSA-N 448.506 1.737 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](N4CCOCC4)C3)C2=O)cc1 1624433827 KWHZFYOLFRHSQA-MOPGFXCFSA-N 425.489 1.086 30 10 IDEE Cn1nc(C(F)(F)F)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629484605 BNZPIIIXHGXSPS-UHFFFAOYSA-N 427.408 1.457 30 10 IDEE C#CCONC(=O)CCNS(=O)(=O)c1cc(Br)ccc1Br 1632678350 KNTWQJKJDHCNKH-UHFFFAOYSA-N 440.113 1.561 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[S@](=O)C[C@H]3c3cnn(C)c3)n[nH]2)c1C 1632819037 IYUXXHWWZJMMTC-PBYQXAPXSA-N 427.534 1.755 30 10 IDEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 1635200465 AMJDLJGMFKQGMW-ZDUSSCGKSA-N 443.934 1.990 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)NCCN2CCCCC2)C1 1635484983 IYHJKQUAPYWEHT-UHFFFAOYSA-N 448.365 1.475 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1635555673 RFSIUWLDHRSRMG-HOTGVXAUSA-N 428.555 1.600 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCN(O)C1=O 1636352934 OVHJLZDPIRSIAA-CWVNLOTRSA-N 439.468 1.381 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)CC1 1636480573 RZHHRHDFWHJJEO-INIZCTEOSA-N 442.582 1.024 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cccc(OCc3ccccc3)c2)CC1 1636480869 YKYAVZFKVMGJND-UHFFFAOYSA-N 441.553 1.810 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]3C)cc2C1=O 1638590145 CDEKQVILGGRPRU-MLGOLLRUSA-N 445.497 1.052 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1639610800 UZDNBEVSILDSEB-HSZRJFAPSA-N 449.548 1.792 30 10 IDEE C=CCn1c(SCC(=O)NS(=O)(=O)c2ccc(CNC(C)=O)cc2)nnc1C1CC1 1640703386 UDJJKCKDJFVXRF-UHFFFAOYSA-N 449.558 1.575 30 10 IDEE Cc1nsc(N2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1641801531 DLIVMGIPWAETRF-UHFFFAOYSA-N 435.531 1.088 30 10 IDEE CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1 1642468015 VCOOZJIBIWEKSC-UONOGXRCSA-N 446.495 1.989 30 10 IDEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1643705466 ITZRNBABXQUIJY-GOSISDBHSA-N 428.449 1.367 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1651805512 LTMOONCTMHAFNB-RDPSFJRHSA-N 444.535 1.714 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1653964786 VWXPFPDXUDAAEQ-VFNWGFHPSA-N 431.493 1.364 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)c1 1656192223 KUCLDLUBHHHTII-OAQYLSRUSA-N 442.585 1.697 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3COc4cccc(Br)c4C3)C[C@H]1CS(=O)(=O)C2 1683643701 KEUAXIBKMMYFDR-NVGCLXPQSA-N 440.319 1.332 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1689847590 CMXQMMVLIMPCKH-FRQCXROJSA-N 436.516 1.701 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1689940148 OYRXFUIYCNZTBO-HXUWFJFHSA-N 427.505 1.620 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CN2CCOCC2)CCCCC1 1689965984 ICTBUNAAGILFTE-LJQANCHMSA-N 449.621 1.532 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 1690022540 INZDJLMZYQEVEU-LJQANCHMSA-N 439.633 1.980 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2cncn2)nc1 1690025303 LMLUBMQHYWLKJO-UHFFFAOYSA-N 426.488 1.237 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCOC[C@H]2C)CC1 1690142856 VICAXOBYBOWFLK-SJLPKXTDSA-N 425.537 1.317 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690316774 MLWIPBFQYMLPQU-KRWDZBQOSA-N 430.553 1.488 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@H](C)C1 1690527074 IYJAYTCOIQOFHE-ZACQAIPSSA-N 427.571 1.438 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1690608042 YXYXYLYLGCYVTF-MRXNPFEDSA-N 433.534 1.635 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1690715660 QMYRAYBNJDAGHA-UHFFFAOYSA-N 431.562 1.848 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CCO1 1690957458 HFGYCPJZRRXEQU-RXVVDRJESA-N 442.545 1.026 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2ccc(C#N)o2)n1 1693200926 XOLYBBWTSXOUSC-UHFFFAOYSA-N 434.504 1.372 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1697698119 HWFJULZFBRVOQA-GBESFXJTSA-N 445.545 1.492 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4CCOC4)n3CCOCCCO)CC2)cc1 1698488490 PHQYRQNSGJKFHS-NRFANRHFSA-N 440.548 1.375 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1OC 1705477382 NFZJQSOFIQLRQR-HRCADAONSA-N 435.550 1.822 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705524528 NNMMQBXDEZGQSG-MGPUTAFESA-N 435.525 1.539 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cnnn1 1705575556 OHOYARHHQNMDAB-UHFFFAOYSA-N 443.284 1.996 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1705585295 PWLRAHBSOCESLZ-OAQYLSRUSA-N 445.445 1.923 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@@](=O)C(C)(C)C)CC1 1705642284 NVJJVGSXQLYFKQ-SSEXGKCCSA-N 431.610 1.442 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705704977 BESJCHMLVVSWEF-SJBKTWHCSA-N 440.548 1.586 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1705754845 GWSWEPYHCZLLPZ-UONOGXRCSA-N 436.003 1.695 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705876949 OSVVKKVXFVLOFK-LZJOCLMNSA-N 438.594 1.925 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1710887977 ZVYWQANCMPRALE-INIZCTEOSA-N 438.579 1.331 30 10 IDEE COCCOCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1712608937 ZJWNCDCIBQAXEL-SFHVURJKSA-N 443.504 1.888 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1722324116 LAMPHJYFUGCZPW-MRXNPFEDSA-N 442.545 1.358 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722339325 YXBVINHMQMKZCA-LJQANCHMSA-N 444.547 1.930 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722368353 QFXNXXFVGAHEKW-QYZOEREBSA-N 437.610 1.877 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1722386813 LSLGFJYFLRWPHI-SFHVURJKSA-N 434.500 1.535 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1722389600 KJCCMJGEPCPATP-QGZVFWFLSA-N 429.546 1.798 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722455133 HWFPHMVZRPNCNF-INIZCTEOSA-N 444.586 1.653 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1722473896 IZIQUYGGOBXJNZ-FXAWDEMLSA-N 437.566 1.030 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)CC1 1722477068 AJVQWBXMTJKRDM-LBPRGKRZSA-N 436.376 1.660 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722495783 YZGKXIBQLSIQRO-HYFFOGBASA-N 430.553 1.458 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1722701965 IGCUVBKCTVCFLK-QFIPXVFZSA-N 426.521 1.478 30 10 IDEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722702819 LKYPFXFXUOGBOK-UHFFFAOYSA-N 442.911 1.251 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722729143 WYYDXHQXKOVHOE-ROUUACIJSA-N 425.599 1.234 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CCC)C1 1722730408 QQYRRKIKIGOSOI-SFHVURJKSA-N 436.582 1.746 30 10 IDEE CC(C)(O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723039301 JFJNVBAJGOQQDG-SFHVURJKSA-N 425.537 1.926 30 10 IDEE CCCN1CCC(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CC1 1728131775 IPADXKHNIWYREL-ZCNNSNEGSA-N 432.569 1.853 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)C[C@H]1O 1729782311 DJZNDTSCGMJPTJ-VAMGGRTRSA-N 438.532 1.517 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1730624040 AWFZKRFNOHYONF-JOCHJYFZSA-N 428.537 1.955 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1730730913 HVDVKZOCXZSHQQ-KRWDZBQOSA-N 441.536 1.672 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCn2ccnc21 1730759821 LLIXLWOFINGJPH-KRWDZBQOSA-N 426.525 1.655 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1731179487 CLYKTRWZKSXMIB-KXBFYZLASA-N 436.442 1.533 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2COCCO2)c1 1740561814 CCJGCBLILUOCGL-GOSISDBHSA-N 433.472 1.207 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740593442 DUBSLNIBFYZDOK-INIZCTEOSA-N 441.605 1.836 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)Cc1ccccc1 1740599214 UILCEWGLZDBRNT-UHFFFAOYSA-N 438.513 1.610 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1740624507 JIXFRZPAPFOWDD-SFHVURJKSA-N 447.605 1.998 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCNC(=O)Cc1cccc(F)c1 1740642903 ZAHMVZMHEQSIOO-UHFFFAOYSA-N 430.487 1.835 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1740658869 GXWUONJGACDPMY-IEBWSBKVSA-N 437.548 1.813 30 10 IDEE Cc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1742600765 HZNNXSVLIHWPES-LBPRGKRZSA-N 432.286 1.434 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1748691882 NMBRBLJIIZUMNU-OSPHWJPCSA-N 446.511 1.936 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748807990 FOZWOAQKHKCPMD-QGZVFWFLSA-N 447.561 1.636 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748819767 TVUKPQDTQYQQIK-OALUTQOASA-N 427.530 1.236 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1748819915 UPCKIDWAJFSJFO-ICSRJNTNSA-N 444.605 1.621 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCCN2CCC[C@H]2CO)CC1 1748994031 UKPKOWLMSZCMIQ-NRFANRHFSA-N 442.633 1.923 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1749574654 BIIAUIRDRMMBHS-VQIMIIECSA-N 427.571 1.196 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682331 RZLJTWOFUZVWRT-JOCHJYFZSA-N 449.552 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749721471 KTYKQTRIUXFTGZ-SFHVURJKSA-N 449.625 1.838 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)C1CC1 1750202865 NPHWRMASHIHNMS-RBUKOAKNSA-N 445.545 1.370 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCOCC1 1750418095 HTPUWUPNFMADBP-VXPUYCOJSA-N 426.452 1.371 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1750925058 WQDLUJIHHXPRPS-YJBOKZPZSA-N 427.509 1.086 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CCO1 1751035241 LBRQIUZGDNRVOQ-GOSISDBHSA-N 428.493 1.657 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1760101327 NOLOHDOLRHNDSV-AWEZNQCLSA-N 449.353 1.753 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(O)CCOCC2)c1 1760126133 QLRMWCIXXLPICL-UHFFFAOYSA-N 446.511 1.938 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1760261822 CVTCLZDLENEEHZ-IBGZPJMESA-N 447.509 1.903 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1760264903 HSFMNWRGJPCMDA-DLBZAZTESA-N 430.553 1.197 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NC)CC1 1760315841 JNBNZGBDNCSULL-KURKYZTESA-N 436.557 1.445 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COC)CC1 1760323527 DEWRMIBWRADKBA-DENIHFKCSA-N 440.548 1.540 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC1CC1 1760464182 BHHSKMFQLIIYEH-UHFFFAOYSA-N 445.593 1.899 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)C(=O)NC 1760552898 FJDZJUNHGJYALZ-AWEZNQCLSA-N 449.533 1.093 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760564995 LOGPSDFSCREXDI-INIZCTEOSA-N 443.639 1.952 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1760680706 PMHLFQIWBKRWTE-GOSISDBHSA-N 441.511 1.646 30 10 IDEE CC(C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1760886291 CQQBPAPQOYUCQX-QGZVFWFLSA-N 436.582 1.787 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1767571380 HFKULJQVNRQXQU-DOTOQJQBSA-N 444.561 1.460 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCC[C@@H]1NC(=O)NC1=O 1768660109 QOHBQPJTFNUCNB-KRWDZBQOSA-N 432.488 1.780 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1768888793 IBTUXUGWQWJTLZ-MSOLQXFVSA-N 426.521 1.529 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1769216273 IPYINZRKCCVVMV-DLBZAZTESA-N 430.484 1.676 30 10 IDEE COC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770911573 AOJWBQPVWCYNMI-YGKKUGEXSA-N 430.509 1.519 30 10 IDEE COCCN(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1771078151 HQQCBUXLPWCULW-JOCHJYFZSA-N 440.527 1.927 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1771295510 RYZIHYBRDAZFGM-XERREHJYSA-N 434.516 1.893 30 10 IDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1771326825 AUYPRPHADYUPBE-GOSISDBHSA-N 433.472 1.496 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1771354715 FICFXSOHBIWHQH-SFHVURJKSA-N 425.461 1.873 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C1 1771530320 HOMWBESRHSRYAX-OAQYLSRUSA-N 446.458 1.687 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCCN(C3COC3)CC2)[C@@H]1c1ccc(C#N)cc1 1849020219 MONOIZIQOPTOLC-VXKWHMMOSA-N 442.585 1.885 30 10 IDEE COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C)C(=O)N3CCO[C@H](C#N)C3)cc2)cc1 1851083251 XJDYWNLCLNYBBF-HNAYVOBHSA-N 429.498 1.780 30 10 IDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cccc(OC)c4)n3[nH]2)CC1=O 1852237174 JKYQJRFBYJRWPK-LSDHHAIUSA-N 436.472 1.668 30 10 IDEE COc1ccc(Br)c(S(=O)(=O)NC(C)=NOCC(=O)N2CCCC2)c1 1853413552 CHHIKPRTMPJTSN-UHFFFAOYSA-N 434.312 1.708 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)cc1 1853853115 JISILXXHRJXXPL-UHFFFAOYSA-N 427.482 1.939 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C1=O 1854555342 RPGKNCRUEMPITG-IRXDYDNUSA-N 436.534 1.246 30 10 IDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NC[C@@H]3CCCO3)cc2)c1 1858651521 WTOXFDYREVGOBD-SFHVURJKSA-N 442.497 1.655 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1879107924 XFGZGOJRKOENDW-GOSISDBHSA-N 448.369 1.920 30 10 IDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)C2)c1 1890096054 HIXNGQBEMCQKMJ-WMZOPIPTSA-N 444.488 1.925 30 10 IDEE Cc1c(Br)cc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c(=O)n1C 1891171586 UFMKGKNOABZQQM-GFCCVEGCSA-N 432.278 1.802 30 10 IDEE N#Cc1cncc(C2=CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1 1891841292 QQWBYUYYLPCXGT-UHFFFAOYSA-N 438.509 1.904 30 10 IDEE CC#CCN(CC(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900622053 RICCORRFGSVHCA-HZPDHXFCSA-N 425.526 1.733 30 10 IDEE CC#CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1900624328 JJAIEILUEPHAEI-HOTGVXAUSA-N 425.526 1.733 30 10 IDEE C#CCn1ncc(NCC2(O)CC(NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2107280757 ZPGAGQQFFWXFPE-UHFFFAOYSA-N 427.299 1.469 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124516505 STHIMWPMQFJXOO-GJZGRUSLSA-N 448.329 1.475 30 10 IDEE N#CCN(Cc1ccccc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2241754394 CDWWIBFDURPSHE-SFHVURJKSA-N 431.470 1.722 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255596306 MDOIVIDMYSQYSR-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CN(Cc1ccccc1)C(C)(C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255621000 GTDZUGSPFMSPDL-UHFFFAOYSA-N 427.358 1.755 30 10 IDEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255644298 HPYUNIOFMTZHRP-HNNXBMFYSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255862064 PUOCHRFHSFBBAA-GDBMZVCRSA-N 435.330 1.726 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2267265301 DHBZSIUVKJMUAD-KRWDZBQOSA-N 439.369 1.897 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267479992 SWAPEZHIQONYTM-GJZGRUSLSA-N 447.341 1.481 30 10 IDEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504210 OYKDQVARZANBNX-GOSISDBHSA-N 435.337 1.569 30 10 IDEE C=C(CS(=O)(=O)N1CCSC[C@H]1S(=O)(=O)CC)B1OC(C)(C)C(C)(C)O1 2282512842 WCDWFSSKLSGNTC-CYBMUJFWSA-N 425.403 1.313 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@H]3CSC[C@@H]3O)C(=O)[C@@]12C 2297591713 ZLCUAISAQVPXBL-KECNAYIYSA-N 445.493 1.635 30 10 IDEE C=CCOC[C@@H](O)Cn1c(NN=Cc2ccc(OCC)cc2)nc2c1c(O)nc(=O)n2C 2328608975 JTXMAQVJEDXAAN-HNNXBMFYSA-N 442.476 1.244 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccccn1 21324974 VKJMBJUWBXLBJR-SRZZPIQSSA-N 427.450 1.862 30 10 IDEE C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC 70647170 FZFYFSUIOSWLHW-UNZVFGKVSA-N 431.485 1.408 30 10 IDEE in-vitro Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1OCC(=O)O 427288559 QEIIWJYCKOAAPZ-MRXNPFEDSA-N 431.470 1.876 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCn2c(nnc2-c2cccnc2)C1 428251267 UMCAAFKFNCKLFL-UHFFFAOYSA-N 425.456 1.852 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1C[C@@H]1CCCO1 461089596 QRRCAZRFTSXXEU-MJGOQNOKSA-N 445.531 1.820 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)CC1 466604817 SYNALAZRPHCDRT-FQEVSTJZSA-N 430.549 1.682 30 10 IDEE C[C@H]1[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC(=O)N1Cc1ccccc1 466840646 JEWISMWILHOFLW-ZIFCJYIRSA-N 433.516 1.758 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 477337170 FKJLNKLFFHDTTH-UHFFFAOYSA-N 443.544 1.418 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 509168015 OHKAUEFQQWNZTL-LBPRGKRZSA-N 425.454 1.622 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 518499379 GRNNNASVHCKNGP-GOSISDBHSA-N 427.549 1.022 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 523463738 HLJHNKKHMCAVOR-UHFFFAOYSA-N 430.501 1.966 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1 537067204 CKKYLOBVHKSPHU-UHFFFAOYSA-N 426.452 1.816 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCCN3CCN(c4ccncc4)CC3)CC2)n1 546880043 HFRQBGMPPPLTOY-UHFFFAOYSA-N 434.548 1.392 30 10 IDEE COC(=O)[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)Oc1ccc(Br)cc1 562006395 ZBCPBRUFLIZQLM-CQSZACIVSA-N 431.308 1.983 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1C[C@H]1CCCO1 603825957 CCRAVMQKJAKLOL-CQSZACIVSA-N 448.342 1.100 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1cc(C#CCO)ccc1F 703979288 BCLNNFZJSCYRIJ-UHFFFAOYSA-N 430.457 1.275 30 10 IDEE N#C[C@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)s2)CCN1C1CC1 732651656 DUHVUAPCLKVWHN-ROUUACIJSA-N 438.557 1.373 30 10 IDEE CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCC#N)c2)cc1 749608402 GTDZHRRHECTNRC-UHFFFAOYSA-N 427.891 1.798 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)C1 757587806 BBZIXIGFBLQFGW-SOXILONMSA-N 437.566 1.587 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)cn1 758117684 GLOYGQSMRHNGKR-QGZVFWFLSA-N 426.542 1.568 30 10 IDEE N#C[C@H](C(=O)C[C@H]1COC(=O)C1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 766254103 BKULNBCACWFXJR-RHSMWYFYSA-N 433.486 1.462 30 10 IDEE COCCn1c(=C(C#N)C#N)sc(=Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)c1=O 766386820 JTOPOLHAKPPKDD-UHFFFAOYSA-N 449.536 1.453 30 10 IDEE O=C(Cc1noc(CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1)N1CCCC1 771015945 MACSMPZDSORXQC-UHFFFAOYSA-N 431.518 1.686 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 775819080 ZWVSKWPNGQJKJH-BZSNNMDCSA-N 433.578 1.913 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CN3CCN(C(C)=O)CC3)cc2)cc1C#N 777258015 FTMHRBJFAIHKGR-UHFFFAOYSA-N 449.511 1.486 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3c(Br)cnn3C)cc2)CC1 782221814 OYIFVYQGSXJNED-UHFFFAOYSA-N 441.355 1.565 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(C(=O)NC4CC4)c3)CC2)o1 784263179 RQZSZZGPGULFCU-UHFFFAOYSA-N 437.456 1.253 30 10 IDEE N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c[nH]1 786903566 XWIOPOLVKKINGM-IZZDOVSWSA-N 428.470 1.188 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)n1 788848560 IGIAWSMUMXFXMI-QFIPXVFZSA-N 443.523 1.887 30 10 IDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 790020394 ADOYOUKXQBXTJO-HLDRKKFDSA-N 436.559 1.211 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)S/C2=N/CCc2ccccn2)C1 797814595 GYRZTSCGTKMDBE-SLZSZZJGSA-N 432.546 1.792 30 10 IDEE C=CCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800576248 FOPDWOPFVKAIHU-QGZVFWFLSA-N 441.575 1.472 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 809892750 DQOPLKABACWFTB-KRWDZBQOSA-N 433.534 1.904 30 10 IDEE Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)n1 917083338 RIBGAMFEYGHYNA-UHFFFAOYSA-N 448.570 1.793 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3ccc(S(=O)(=O)NCC)cc32)c1 1137097607 VVPWUTBUBFUXLS-UHFFFAOYSA-N 446.550 1.985 30 10 IDEE C#Cc1cccc(CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)c1 1142211107 IMQLYKHAOZYCRT-HXUWFJFHSA-N 427.526 1.514 30 10 IDEE Cc1ccc(C)c(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1156670736 XRAFSPJEKXFTRQ-JXFKEZNVSA-N 430.555 1.978 30 10 IDEE C#CC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC 1161365116 OWIFDRJVRDDUQF-WOJBJXKFSA-N 444.484 1.622 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1187309670 XUEONNZXSNCCFJ-UHFFFAOYSA-N 443.573 1.943 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286302077 JPMUZZQONBAKGU-HZPDHXFCSA-N 442.486 1.512 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286420254 BEFAUKWEXLPZIN-QFIPXVFZSA-N 438.509 1.704 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCSCCCO)CC1 1286492515 HPDQVAWYODARBN-SFHVURJKSA-N 435.594 1.254 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2n[nH]c(C)n2)CC1 1286493211 MAYDXZDLBBSJRH-QGZVFWFLSA-N 426.525 1.155 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1286607777 KAYVJWPOPOFQBB-WMZOPIPTSA-N 436.534 1.944 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N(C)C)C1 1286813697 ZYJVBAVETMYYEX-OAHLLOKOSA-N 432.550 1.529 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 1286856831 KUHSMZMAWXREBD-QFBILLFUSA-N 439.476 1.841 30 10 IDEE COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1288227832 ZVELHBFVGPFOKK-IIBYNOLFSA-N 434.924 1.370 30 10 IDEE C#CC[C@]1(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)CCCN1C(=O)OC(C)(C)C 1289807078 OLTDBTBLDCHFTA-OAQYLSRUSA-N 440.562 1.586 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1OC 1296764310 RXRGIKWMYGQZKT-ZHRRBRCNSA-N 440.504 1.559 30 10 IDEE C#Cc1ccc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1298092988 NNRHESURACSORT-GUDVDZBRSA-N 432.542 1.954 30 10 IDEE CN1C(=O)C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)CC[C@H]21 1298797253 RZAIVQSTTRZOEK-JKSUJKDBSA-N 443.458 1.255 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)c1 1299950505 AYRZYTUMWMSUMC-WTPASJBYSA-N 445.545 1.992 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300449772 XUJLBCGUTZYPLM-GOSISDBHSA-N 438.532 1.686 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300498497 KPDGNZMSDDZUMY-DFQSSKMNSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1300511136 GWMVWARDQJBJDD-OAHLLOKOSA-N 435.937 1.694 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1300631297 PHWMZCHDJIVNBZ-OAHLLOKOSA-N 441.554 1.091 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@]2(O)CCSC2)n1 1300681572 UJUNTDOVBJZJBC-OAQYLSRUSA-N 430.578 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CC)CC1 1300723104 QDRKMMALHUSTGZ-QFIPXVFZSA-N 442.520 1.133 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1300892433 SLFZRIQXOHZUSG-UEXGIBASSA-N 430.553 1.487 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1300973320 XWDLHEIQRCDIQH-UHFFFAOYSA-N 427.509 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301588223 DJHRSVYYUJSMDG-QGZVFWFLSA-N 426.583 1.852 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)CC1 1302923919 FFDBFDWWGOBRJP-UHFFFAOYSA-N 426.926 1.160 30 10 IDEE N#Cc1cc(Br)cnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1306975074 BAXROJIKIJCTRY-UHFFFAOYSA-N 430.310 1.669 30 10 IDEE N#Cc1ccc([C@H]2CN(CC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)CCO2)cc1 1308115033 UQPWVLSIROIBLL-GOSISDBHSA-N 434.905 1.871 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1314874008 RFCQYLJNQRVIJB-OAHLLOKOSA-N 440.476 1.226 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC(C(N)=O)CC1 1358933011 FGSPNCIHZYCUMC-UHFFFAOYSA-N 449.603 1.758 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2sc(C)nc2C)CC1 1359028015 DEFBBIFGZPYJBV-UHFFFAOYSA-N 436.545 1.802 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1359230673 BJTCURQRXLETBS-CYBMUJFWSA-N 430.575 1.814 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(OC)cc2C1 1359327202 VHIFTHIFWRTNQT-UHFFFAOYSA-N 447.561 1.588 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1359331391 XBIPPYONKXZDET-IRXDYDNUSA-N 435.550 1.489 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359331733 GWACUBJYKVXFER-UHFFFAOYSA-N 431.566 1.571 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359340088 AQZRCBXNQZQHGN-UHFFFAOYSA-N 427.578 1.660 30 10 IDEE COC(=O)[C@@H](O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1446514074 NUEQPXBZMNDEPZ-JBLFJGJOSA-N 435.521 1.546 30 10 IDEE N#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1449521312 RUSZMNJAUSOYNV-NSHDSACASA-N 429.285 1.481 30 10 IDEE N#Cc1cc(F)c(OC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(Br)c1 1461774120 DUYONSPRMONVRY-QHSBEEBCSA-N 437.221 1.918 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(c2nccn2C)c2nccn2C)cc1 1465258992 HPPBCTCPPHGEIQ-UHFFFAOYSA-N 443.533 1.871 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)C1 1466736161 HLICXXWLSIYNQR-KKUMJFAQSA-N 435.502 1.487 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1468882854 TUXAVGNIWJEUAQ-HXUWFJFHSA-N 426.494 1.842 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCCO)CCO1 1505321523 SEVVLUCFXLJHDS-KRWDZBQOSA-N 432.912 1.753 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1507688432 ABSBGBMGOMLPQH-OAHLLOKOSA-N 427.596 1.356 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@@H]2C)CC1 1507729919 LFMVMQVZCWSJGZ-KSZLIROESA-N 430.553 1.923 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1507750010 FVKWSLSZPWNTSX-UHFFFAOYSA-N 431.610 1.840 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507832098 MXYIAOXWYDLFGW-HZPDHXFCSA-N 447.565 1.154 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1508006347 CDOAXXAKQQCCAM-QGZVFWFLSA-N 444.561 1.732 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)CC(F)(F)F)C1 1508121985 HHEBWBKZLGGDJP-GJZGRUSLSA-N 430.475 1.895 30 10 IDEE C=CCSCCn1c(COCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1508166665 ALNZBTSEYSGMMA-INIZCTEOSA-N 429.612 1.738 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 1516756139 PSGWJGYQAPWORE-UHFFFAOYSA-N 435.536 1.635 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2nc(C(F)(F)F)cs2)CCO1 1521136439 FMZUJLCKBZKTQD-LLVKDONJSA-N 441.439 1.653 30 10 IDEE CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 1533174132 HHOUWUHVNIXPOJ-UHFFFAOYSA-N 426.458 1.632 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1539201226 YYHPBPNCWLRJKL-QGZVFWFLSA-N 435.594 1.869 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1539323339 FLRCOEFYUWALPF-XQBPLPMBSA-N 430.574 1.848 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc2ccccc2s1 1540869433 MTVKGCOWXLCLNM-CQSZACIVSA-N 425.518 1.778 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543121820 OPRITFVFCKJIJU-ZWKOTPCHSA-N 433.530 1.759 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)COC)CC2)n1Cc1ccc(C#N)o1 1545913531 GKYPGEJJOREQST-UHFFFAOYSA-N 443.508 1.004 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1547549087 HLTDVMYUFMDIPU-WIYYLYMNSA-N 445.545 1.372 30 10 IDEE CCO[C@]1(c2nnc(N(CC)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1547873386 ICDYWQPMQTZMRA-RPBSFSNWSA-N 430.509 1.445 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@]34CC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1C#N 1556217374 YVAOJTOHFYYIOX-AOMKIAJQSA-N 428.537 1.896 30 10 IDEE C=CCc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(OC)c1 1558671880 RUSHZJKSMDAFNK-ZGOJQLDESA-N 436.530 1.130 30 10 IDEE COC[C@@]1(C(=O)OC)CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1560025070 DJWBIIFMIOYXFT-NZQKXSOJSA-N 446.523 1.579 30 10 IDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 1561926101 GRKVFGJHGUAGLE-LJQANCHMSA-N 446.960 1.875 30 10 IDEE C#CC1(O)CN(C(=O)Nc2ccccc2OCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1562915086 HTLXFIXIDHRUHI-UHFFFAOYSA-N 444.532 1.830 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ncc(OC)cn2)cc1 1584143922 WOIIEJIYCAPWHV-QGZVFWFLSA-N 433.490 1.695 30 10 IDEE CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585139091 QRNLWQGAJZRQDD-NBCNXNJRSA-N 442.541 1.248 30 10 IDEE CON(C)S(=O)(=O)c1cccc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)c1 1585827481 MMKFCJQOEWPIJE-UHFFFAOYSA-N 426.458 1.632 30 10 IDEE Cc1c(NC(=O)CSCC(=O)N2CC[C@](C)(C#N)C2)c(=O)n(-c2ccccc2)n1C 1586808232 KFLZWDIPBAHWJY-OAQYLSRUSA-N 427.530 1.918 30 10 IDEE C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1587024838 ORLCFJAGPOHHFP-SPYBWZPUSA-N 432.546 1.460 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(=O)NC)CC1 1587847274 HLXCNJJLSGEHFR-UHFFFAOYSA-N 447.543 1.958 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1588003036 NEEVNFPCJJQUQW-QGZVFWFLSA-N 427.534 1.010 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588074514 NVINKSGIQUTULJ-NCXUSEDFSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1588219348 QRGNLGUUHUQUCY-HSZRJFAPSA-N 448.552 1.523 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C)c(C)s2)CC1 1588811423 IWSCIIBWOLDFHO-INIZCTEOSA-N 434.591 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)CCOC)CC1 1588923799 MJVGFINUAAPGHG-UHFFFAOYSA-N 439.564 1.193 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1F 1589150902 NNPBDRGGYIPCNA-IFXJQAMLSA-N 436.513 1.494 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594498809 XNYWQXXININWOR-LSDHHAIUSA-N 430.596 1.406 30 10 IDEE C=CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)OCC 1611408581 OPLWHCDKSLYMJR-KGLIPLIRSA-N 442.490 1.233 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)CC1 1611772512 XUIDHOSJQNKNOZ-AWEZNQCLSA-N 431.509 1.982 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1618040508 ALMCSFDTJJYXFV-FEHORTKBSA-N 437.562 1.746 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1618836166 DWVPDPUGKCQJEV-UHFFFAOYSA-N 446.515 1.828 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1619452901 GVXRCHZOVJUFPZ-MKTHODDLSA-N 445.545 1.896 30 10 IDEE 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C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1689985871 DGFGKEUAVJKXNA-OAHLLOKOSA-N 446.558 1.551 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1689985976 GLSIDLBWAMJQQZ-HNNXBMFYSA-N 430.921 1.997 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1689986598 SYRTYHYGOOPRHZ-KRWDZBQOSA-N 440.529 1.814 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1689992960 RRGPPWVKMMQMRQ-CQSZACIVSA-N 427.452 1.929 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1690195155 FTGMWCVMPRADIS-OAQYLSRUSA-N 439.545 1.877 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1690199977 GHZQKCFUJVDVRJ-XMMPIXPASA-N 431.544 1.973 30 10 IDEE C=C(Br)Cn1c(N(C)CCC(=O)NC)nnc1[C@]1(OC(C)C)CCOC1 1690233928 WBMQXPHKMYDHOA-KRWDZBQOSA-N 430.347 1.800 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1690669920 SGFYOGMLPVILLJ-ROUUACIJSA-N 443.596 1.084 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCOC1 1690717929 VNAAVVUSHMPUPA-CYBMUJFWSA-N 444.355 1.862 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1690993943 TTXMZUSFOVEKEZ-HUUCEWRRSA-N 432.550 1.857 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1696021585 BRJXTBBBTQBLFJ-JTDSTZFVSA-N 425.555 1.493 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(COC)cc2)CCOC1 1696083658 AMZIGIJIAVNNTN-DENIHFKCSA-N 427.505 1.854 30 10 IDEE CCOc1ncccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1696180270 XGNFDMFMZNENOL-XMSQKQJNSA-N 442.520 1.889 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1705495183 LRLBHENIAPDWKL-RRFJBIMHSA-N 443.520 1.504 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1705570759 UCSOJTFCSCFHMI-IBGZPJMESA-N 440.504 1.473 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705571367 YYNHWZOOQMOYJW-LPHOPBHVSA-N 437.591 1.422 30 10 IDEE 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C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1ccc2c(c1)OCO2 1722701877 HBYGZAMGBDADFA-UHFFFAOYSA-N 440.504 1.458 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1722735150 KFTDHDUJNSZRMV-QGZVFWFLSA-N 439.549 1.555 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722813536 CYPMNZZYGNCXGM-LQTLECTNSA-N 449.515 1.576 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCOCC1 1723306920 AUEFXEKABOCSBD-UHFFFAOYSA-N 426.521 1.943 30 10 IDEE CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1727842869 IZPBGAFWNXVXBM-SCYHOBCLSA-N 432.550 1.988 30 10 IDEE CCN(CC)C(=O)CCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1728354170 SLYJKJXFRSJUPW-AVRDEDQJSA-N 448.568 1.696 30 10 IDEE CSC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1731028632 CBCOCAXSWXKYBP-KBPBESRZSA-N 430.600 1.491 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1740622093 UENAFLNWSORCGM-AVAKVYKDSA-N 446.577 1.511 30 10 IDEE 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C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(=O)NC)C1 1760515729 RATWMOGAQSECQM-KRWDZBQOSA-N 448.531 1.600 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760552156 DTLNHKLAMJJSMQ-QGZVFWFLSA-N 427.534 1.117 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1761371201 QWRRKEWRHJBNTN-WMLDXEAASA-N 439.520 1.344 30 10 IDEE CC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)COC1 1761570449 MQUNHCGVGUNOBK-HOTGVXAUSA-N 448.524 1.352 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1763922895 ACSGBSCDBHQQJI-CVEARBPZSA-N 446.577 1.991 30 10 IDEE CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1764331603 CXBLQBDKXQCKJK-ZJYNUGOYSA-N 427.509 1.382 30 10 IDEE CCCNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1764544473 FINUGXSYCZZBQV-UHFFFAOYSA-N 447.547 1.793 30 10 IDEE CCCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1764561032 MTDQWVREAHWUOA-CYBMUJFWSA-N 436.314 1.301 30 10 IDEE CN1CCC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)C1=O 1769064061 CUXIWMBPPURJIA-UHFFFAOYSA-N 442.545 1.310 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C[C@@H]1C 1769899611 GCUSDHCYJVXZAV-MBSDFSHPSA-N 440.548 1.779 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1 1771112165 HKKPCRDHYZRHAE-HOTGVXAUSA-N 427.596 1.832 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1771125881 FMMWXSJBASJIEK-LJQANCHMSA-N 446.515 1.738 30 10 IDEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772791231 PUFBXJQHZTVSJN-XJKSGUPXSA-N 431.489 1.967 30 10 IDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCN(C)C1=O 1848779748 MCYIRTYUOUFMAF-RISCZKNCSA-N 434.345 1.906 30 10 IDEE CN(C)C(=O)[C@H]1C[C@@H](OC(=O)Cc2cc3c(cc2C#N)OCO3)CN1C(=O)OC(C)(C)C 1851243223 LZKRNUJGUGJPLR-HZPDHXFCSA-N 445.472 1.839 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C1 1852773597 APJQAGSPMURKSD-CQSZACIVSA-N 441.435 1.917 30 10 IDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1857490987 XGBFLFXYPYOBDO-HOTGVXAUSA-N 425.576 1.784 30 10 IDEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OC)c(OC)c2)C1=O 1863156515 QVVZEGJLQSGSLP-UHFFFAOYSA-N 443.481 1.729 30 10 IDEE N#Cc1ccc(COc2cn(CCOCCO)c(CN3CCC(O)CC3)cc2=O)cc1 1870349943 JUSKHBBGGWMNPD-UHFFFAOYSA-N 427.501 1.265 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701627 WMCHEVXVPZWBPC-UHFFFAOYSA-N 435.536 1.258 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)CC1=O 1872918174 UYIXYSULEOUPAN-INIZCTEOSA-N 445.516 1.924 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2025608124 ZBKADQMGUSALLZ-RUXDESIVSA-N 425.335 1.886 30 10 IDEE CC(C)(C)OC(=O)NCCc1nc(=NCc2occc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1 2063194760 GGAWHRMWGMCIMT-UHFFFAOYSA-N 433.318 1.798 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2064130311 MIYBPGQTNBDOHX-HRCADAONSA-N 440.346 1.268 30 10 IDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)nn1 2124521948 NFJBGOHSYAVDGN-OCVGTWLNSA-N 447.345 1.932 30 10 IDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2243370288 NDLKTHDRUQDMOX-UHFFFAOYSA-N 425.316 1.723 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243389608 KOOCPDJJHJPDOC-LLVKDONJSA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243438053 GOUCYGFOTCLTDF-QWHCGFSZSA-N 444.384 1.991 30 10 IDEE CC[C@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684850 IFKWVGAUDOXMKN-LLVKDONJSA-N 426.348 1.749 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255632553 OHHFOKMZLKFCPS-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE Cn1cc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255655378 LOURCAJKTVNTIJ-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255830223 BSZHTWCRZURHSM-HNNXBMFYSA-N 436.362 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2256019378 ZNIDMHURYKULMC-UHFFFAOYSA-N 434.298 1.972 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256616805 DVENYDFGJSHKAB-YOEHRIQHSA-N 434.342 1.876 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)n1 2256928481 UFNYQZJRDBDZKJ-INIZCTEOSA-N 429.282 1.119 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267148171 ZNTQGZGXLNPRFC-RUYXUALKSA-N 436.365 1.888 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267181713 WHVPLZQAWQKTCS-SQWLQELKSA-N 446.357 1.847 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)CN1C(=O)OC(C)(C)C 2267265317 DLJKSENWELDJFD-ZIAGYGMSSA-N 449.361 1.584 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1CO 2267554262 YBQXFBSYVBWVHS-ZBFHGGJFSA-N 449.357 1.662 30 10 IDEE C#CC[C@H](CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2286052074 TZVGQOHTHSSHQD-RTBURBONSA-N 436.530 1.766 30 10 IDEE O=[N+]([O-])c1cccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c1 2293103956 LMSLAIDMZYDXDX-FQEVSTJZSA-N 445.453 1.140 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2303949554 DXBWVVVKEURPHB-UHFFFAOYSA-N 426.319 1.025 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2337303702 KNQVUIDQFOQHOZ-SFHVURJKSA-N 440.353 1.350 30 10 IDEE COCCCn1c(=O)/c(=C\c2ccc(OC)cc2)s/c1=C(/C#N)C(=O)N1CCCC1 12604647 MBCDKCWWNZNFNY-DWKLJOBNSA-N 427.526 1.080 30 10 IDEE C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 44360509 RTLRXWNDOSJSQY-CVTQAYBASA-N 437.543 1.917 30 10 IDEE CC(C)(C)c1nnc2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn12 302289075 KTPXAXULIFPDRW-UHFFFAOYSA-N 425.518 1.804 30 10 IDEE CCN[C@@](C)(C#N)Cn1cnc(I)c1I 393750243 WFTBIWQEUQCTCQ-VIFPVBQESA-N 430.031 1.984 30 10 IDEE N#CC1CCC(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 440984283 KPMRTXMLGWSRSE-CTWPCTMYSA-N 427.553 1.911 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OC 461296816 RCWGBPYZIKQLCA-UHFFFAOYSA-N 441.469 1.959 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(CN2CCOCC2)cc1 464825661 XQRFOVGZWYQRCH-GOSISDBHSA-N 435.532 1.601 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c2C)nn1 465257251 JKPBZRHXVOEBCR-CQSZACIVSA-N 433.476 1.382 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1 471431487 NRNVLOMMCTZWQK-SFHVURJKSA-N 440.525 1.786 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCn2cnc3ccccc32)CC1 482630544 AURBHHLRKRYSRS-UHFFFAOYSA-N 438.513 1.624 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 482808944 MCOFDJRTUCUZRD-UKRRQHHQSA-N 433.921 1.669 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 494766657 BQBLOECPLHNNNU-JXFKEZNVSA-N 427.549 1.909 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(N2CCNC2=O)CC1 508727965 ADYFHQHWXDNNIG-UHFFFAOYSA-N 448.531 1.855 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 524365625 QHNMVMSGUYESAQ-GOSISDBHSA-N 430.530 1.028 30 10 IDEE CN(C)c1nccc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n1 525494413 VPHPWHWLIBXVNQ-UHFFFAOYSA-N 442.545 1.582 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 537492575 IWDONAXHFQJJIH-CQSZACIVSA-N 443.481 1.286 30 10 IDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 540972406 VSCOJCSYXCOVSF-OAHLLOKOSA-N 441.536 1.981 30 10 IDEE Cn1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CC2)c1=O 571064260 JVOXKDHYAUYCHB-IBGZPJMESA-N 446.515 1.416 30 10 IDEE N#Cc1ncn(CCNC(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1 579389564 WIEBRLRGMOBGCU-LLVKDONJSA-N 428.806 1.795 30 10 IDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 682390220 MHCKEQWOIVSQTJ-UHFFFAOYSA-N 431.514 1.870 30 10 IDEE COc1cccc(N2CC[C@H](CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 726563671 QWAMOKYQWHAMDQ-OAHLLOKOSA-N 428.514 1.376 30 10 IDEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCNC(C)=O)cc1 730139064 PNBTZHWGFSSSOQ-SFHVURJKSA-N 433.578 1.385 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730709443 SHHHUUCINRUTKC-MRXNPFEDSA-N 426.502 1.881 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 732562050 ZNGRCNITBHYDMO-MRXNPFEDSA-N 428.558 1.814 30 10 IDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1ccc(COc2ccccc2C#N)o1 735774041 UDRSJTJOLMNFLI-INIZCTEOSA-N 447.469 1.732 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)cc1C#N 747494712 DCSSJCCFPAJWCH-UHFFFAOYSA-N 435.484 1.523 30 10 IDEE O=C(Cc1ccc(I)cc1)NCCN/C(O)=C1/N=CC=CC1=O 754223109 GVOUJSKYSLIPEK-NXVVXOECSA-N 425.226 1.476 30 10 IDEE CC[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H](c1ccc(C)cc1)n1cncn1 756684127 FWVJWFONKPFWTG-YUAKHZOXSA-N 437.504 1.780 30 10 IDEE COc1cc(OC)cc(N2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)c1 760401337 UBCZTVUHCBCLMG-HNNXBMFYSA-N 449.529 1.977 30 10 IDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cn(-c2ccccc2)nn1 761475531 XAXNISKTUGBWAD-OAHLLOKOSA-N 438.513 1.963 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 790105406 ZEGCVMBVZBQJKI-INIZCTEOSA-N 445.501 1.766 30 10 IDEE C=CC[C@@]1(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCCN1C(=O)OC(C)(C)C 790244427 HSNYTRGEKQPNLZ-QFIPXVFZSA-N 443.504 1.917 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@](C)(C#N)CSC)c(NS(=O)(=O)C(F)F)c1 795626661 SWDQHGLMTBHKSZ-ZDUSSCGKSA-N 429.492 1.583 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2c(Cl)cnn2C)c1 797429458 QNEKNVJWXKNMQJ-XMHGGMMESA-N 431.927 1.687 30 10 IDEE CC(C)CN(C(=O)COC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCS(=O)(=O)C1 798800612 URHGZAMKTQWKDL-SFHVURJKSA-N 444.513 1.572 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2CCOC)CC1 802347231 XCEAMSCBYMWUPY-LJQANCHMSA-N 426.521 1.025 30 10 IDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(CCO)nc1C1CCOCC1 856619784 LAMMAQDCUJCBQP-UHFFFAOYSA-N 425.533 1.845 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3Cc4cc(Cl)ccc4O3)CC2)o1 915373992 RIQWSPRWZGOYDH-QGZVFWFLSA-N 430.848 1.704 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 919753115 AONGPPKXXSWWIL-INIZCTEOSA-N 430.505 1.863 30 10 IDEE C[C@@H](Sc1nc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cs1)C(N)=O 1126037190 HHMRZVNQQYIFCW-RHSMWYFYSA-N 429.571 1.888 30 10 IDEE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)ccc1C#N 1136273641 AWLGBXPDRBOCQD-GOSISDBHSA-N 429.498 1.954 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccnc2N2CCN(C)CC2)c1 1136472572 IHFHWHLLUVGQIG-UHFFFAOYSA-N 426.542 1.560 30 10 IDEE C=C(C)CN1CCC(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1136669909 UVFXCASURFJXDH-KRWDZBQOSA-N 429.583 1.567 30 10 IDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1139865423 ICOKTIMTTYXPGB-WMZOPIPTSA-N 429.970 1.430 30 10 IDEE C#Cc1ccc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)nc1 1152887309 NTYVUBAYBPXROD-NXHRZFHOSA-N 426.473 1.718 30 10 IDEE C#CC[C@H](CCOC)NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1169293289 RPVWWLXYENYPEG-VQHPVUNQSA-N 428.551 1.201 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC#C[C@H]3CCCCO3)CC2)cc1 1180363071 OJBHEHTWJXGQDR-HXUWFJFHSA-N 432.542 1.979 30 10 IDEE COC[C@@](C)(CC(=O)OC)NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1191799798 GXMLFPKJCNMQGH-WAIKUNEKSA-N 446.548 1.914 30 10 IDEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1251850349 HPJIQEMBOPHEIH-FMQUCBEESA-N 434.518 1.047 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1286321780 AXZPJIJLNKNBGS-GOSISDBHSA-N 431.566 1.492 30 10 IDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286347704 PWVXWKQHASYESA-SFHVURJKSA-N 448.549 1.573 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(F)(F)C1(OC)CCOCC1 1286415444 NLZPTQAZDXNXCZ-UHFFFAOYSA-N 437.491 1.710 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286519505 FKNGYUKQKRFSOD-XMMPIXPASA-N 443.511 1.596 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)CC1 1286564958 OASQSJKRBYLXIC-PKOBYXMFSA-N 434.566 1.356 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1286726793 IWZMIGCXTZJULI-QFBILLFUSA-N 447.561 1.800 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2COc3ccccc32)C1 1286799785 AFKITRULIINXHZ-IXDOHACOSA-N 447.561 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286817571 NYCSWXJNKJRKBU-PXNSSMCTSA-N 425.599 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](N3CCOCC3)[C@H](CC)C2)nnc1C(C)(C)C 1286825189 NALPAQZBPXERLW-QZTJIDSGSA-N 439.626 1.723 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnn(-c2ccc(Br)cc2)n1 1293032367 MDNICPFHBOMWRZ-ICFOKQHNSA-N 431.250 1.286 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC2CCCCC2)CCOC1 1296662046 BCEVMDOEIJPWDV-AVRDEDQJSA-N 446.552 1.498 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C 1300395705 BWLUUMXMHFJGCV-OCVGTWLNSA-N 442.434 1.776 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300481850 BYVLAKPLGBBFFD-UTKZUKDTSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300495043 CBTVLRSKDKFOLZ-DKKFBQAASA-N 436.578 1.612 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1300547038 CFODAOHLMZENEE-QFIPXVFZSA-N 425.558 1.718 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NCCC)CC1 1300688748 LIOBIFWYLIGUGU-UHFFFAOYSA-N 440.548 1.634 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)NCCC)CC1 1301072086 CTWUXXOZJSVTSE-UHFFFAOYSA-N 446.577 1.878 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2C[C@@H](C)O[C@H](C)C2)C1 1301538676 JYFYFNIQWMXOAN-XLMAVXFVSA-N 441.598 1.873 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3n2-c2ccn(C)n2)cc1 1301792511 MSKNGDNFLMGYDJ-UHFFFAOYSA-N 434.481 1.923 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1303628853 GFFHMFVGFVYMEJ-YOEHRIQHSA-N 434.508 1.574 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@H](CC#N)C(F)(F)F)cc1 1303847680 KGEXNIZFIZRCFQ-FVQBIDKESA-N 433.452 1.895 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)C2)nc1 1303899730 KWYQPGRPQBYQEZ-WMZOPIPTSA-N 435.488 1.547 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1305224433 QXRUNJNVSJGMIN-MJGOQNOKSA-N 437.548 1.880 30 10 IDEE CN(C)CCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1ccccn1 1307795663 GXGYXFCAOHGCMA-QHCPKHFHSA-N 438.551 1.993 30 10 IDEE C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CC1 1311892731 XUMLMMAEKVYWTA-UHFFFAOYSA-N 435.594 1.389 30 10 IDEE N#C[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CCN1Cc1ccccc1 1313105833 JNMJXESOQLLCOY-XZOQPEGZSA-N 434.544 1.702 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCOC1 1314080052 AZPNZVOXOPSUHC-OAQYLSRUSA-N 447.561 1.873 30 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C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358961335 WOVHAWLKULOKGG-LJQANCHMSA-N 428.562 1.453 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358961787 FGUHYVGTWJCOEW-IEBWSBKVSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1358963727 MZEGYQIHLPDFEA-QZTJIDSGSA-N 432.550 1.073 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC=CO2)CC1 1359038465 XJQFUFFEOSATMI-KRWDZBQOSA-N 426.546 1.718 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359060097 KBOUFGUMUGGJTF-OAHLLOKOSA-N 446.602 1.693 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359061163 TXBKOHDFQUIQAX-MJGOQNOKSA-N 436.541 1.810 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359105760 UAIUZMLBYTVENR-USKVXJDGSA-N 447.580 1.968 30 10 IDEE C=C(C)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359125095 PCCJAQVBGNXETP-HRAATJIYSA-N 432.525 1.273 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359340588 RWMTWPSFNJHMAQ-OAHLLOKOSA-N 441.565 1.735 30 10 IDEE C=C(C)C(C)(C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1441647259 GCPCHYHMQFKMNU-UHFFFAOYSA-N 428.576 1.834 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)OC 1449284073 MNELIIYFQPPSPK-HZPDHXFCSA-N 427.295 1.957 30 10 IDEE CC(C)N1C(=O)c2ccc(C(=O)N3CCc4c(sc(N)c4C#N)C3)cc2S1(=O)=O 1456733615 KIGPJKMKINKOHH-UHFFFAOYSA-N 430.511 1.953 30 10 IDEE N#Cc1ccc(OCC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Br 1458285880 DFTLYGJGRZHAMY-SUMWQHHRSA-N 443.319 1.552 30 10 IDEE C=CCN(C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCS(=O)(=O)C1 1464401811 RFXJFVOTUOHZTH-KUHUBIRLSA-N 427.523 1.344 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1 1464848590 QRBGAVODGMERRM-UHFFFAOYSA-N 442.560 1.651 30 10 IDEE CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O)C2=O 1473078055 QCDFSPGLFYMHEK-UHFFFAOYSA-N 425.367 1.271 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1499302819 YNERIKDRHTYXLG-SHUBJWRZSA-N 439.476 1.088 30 10 IDEE CCCN1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1500917798 LCPXHBIWVPNOKY-FQEVSTJZSA-N 442.612 1.715 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1503056337 ADTLOUDBCNJWBG-YOEHRIQHSA-N 434.438 1.910 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCC(C)(C#N)CC1 1503283919 JMRPNLMNBWVQLG-UHFFFAOYSA-N 437.595 1.703 30 10 IDEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1505279915 HAGGAYGZCOIPAC-NUJGCVRESA-N 445.568 1.872 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1507539328 UQFWUXDJYUZDCY-UKRRQHHQSA-N 439.488 1.725 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(C)C)c1 1507552588 QQXYCARLEZKPOL-QGZVFWFLSA-N 437.548 1.407 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1507641918 MPAWHERFIDCNFZ-LJQANCHMSA-N 447.337 1.662 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1507653566 ROTAHGMGZGQBKV-KRWDZBQOSA-N 431.500 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccc(C)cc2)CC1 1507722341 UVZGGWYARGVRRZ-OALUTQOASA-N 444.605 1.756 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](OC)C2)cc1 1508096766 JTEGQEHPNRFTGI-MAUKXSAKSA-N 435.550 1.727 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccco2)C1 1508096908 LGEXVOHLDVGKNF-WDYCEAGBSA-N 431.493 1.475 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCO[C@H](C)C2)C1 1508111126 WNBULVWWJYTZRJ-MOPGFXCFSA-N 434.585 1.699 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1508422188 DCNQZEXNHQCSQP-DLBZAZTESA-N 432.550 1.746 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNS(C)(=O)=O 1508425181 UMQBRSOZYDBRPH-HNNXBMFYSA-N 430.538 1.052 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1508661693 IKJINZCZXLOHPA-CABCVRRESA-N 433.513 1.263 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCCC1 1510189509 HDJWNKUWBNGOBC-RHSMWYFYSA-N 427.550 1.205 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1CC1(O)CCS(=O)(=O)CC1 1519130313 HNDIWVWHNHNWML-UHFFFAOYSA-N 433.534 1.051 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539219809 FPIUZUDRMNBOES-HOTGVXAUSA-N 435.575 1.960 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1539391270 AWCXAJKHZOLMOL-UHFFFAOYSA-N 441.507 1.721 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(O)cc2)CC1 1539484431 OVVUDUMZQBYQOX-UHFFFAOYSA-N 430.512 1.984 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NC2CCCCC2)C1 1540881209 BEZKFPNXYMNFIL-GOSISDBHSA-N 430.553 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOC2(CCOCC2)C1 1540902683 OISNMWUHZDFXSP-KRWDZBQOSA-N 440.566 1.159 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540907164 NGCVRFIRCMWPJR-HDICACEKSA-N 434.518 1.328 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1543739599 IISHHERKGYVHTN-HDICACEKSA-N 434.562 1.216 30 10 IDEE Cc1c(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cnn1CCC#N 1544312367 KPAIQWBFZAFVJV-SFHVURJKSA-N 425.489 1.709 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1544982255 GITOBTIHLCOBPY-MODMUFLJSA-N 437.504 1.406 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCOCCCO 1546527936 VQGINOHVIOOFJQ-UHFFFAOYSA-N 435.532 1.986 30 10 IDEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccnn1C 1548375462 MEEHUDQGVBAYEC-QGZVFWFLSA-N 434.422 1.730 30 10 IDEE CN(CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)CC(F)(F)F 1554298248 TYOXOTYXRCWAAQ-JKSUJKDBSA-N 427.475 1.800 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1557594182 LSWOYAVCNGTCKJ-UHFFFAOYSA-N 448.495 1.773 30 10 IDEE C[C@H]1CN(c2ccncc2)CCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1558422870 GFOXFBSGGQFPTE-CVEARBPZSA-N 427.530 1.636 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CS(C)(=O)=O)C2)n(Cc2ccccc2)c1C 1560185199 SJKWDDQIRNDXNP-IBGZPJMESA-N 444.557 1.709 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587830981 GBMMOZLEQXWRKP-OAHLLOKOSA-N 427.896 1.880 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCN1CCCO 1587904437 HQXMQRCFRSXSQM-IBGZPJMESA-N 444.967 1.778 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1588245183 USOMUQRPMFRRRU-SFHVURJKSA-N 443.397 1.967 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCn1cc(CO)nn1 1588276644 TZQKQVWDQHYBIJ-UHFFFAOYSA-N 447.341 1.680 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)C(C)(C)C)CC1 1588961763 LMCGFSUFDXHEOL-SFHVURJKSA-N 444.580 1.427 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1589651787 HALTVCJDDPBXPA-UWJYYQICSA-N 434.610 1.840 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1594829096 CLWBFDBGZXREPI-WOJBJXKFSA-N 446.596 1.855 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1595537715 WTPNCLVGMJFTDD-MJGOQNOKSA-N 437.548 1.242 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1595544164 FSRNHXAIAMPKTG-CVEARBPZSA-N 445.524 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595772638 FTHPUPURYSZBKH-JKSUJKDBSA-N 433.534 1.504 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595845292 QZGSRQRGCNLQQZ-CABCVRRESA-N 439.611 1.535 30 10 IDEE CN(C)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1617668580 BSABUAQKROUCFK-UZLBHIALSA-N 432.525 1.736 30 10 IDEE COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1619598958 CDGIUIUFHDPEME-CVEARBPZSA-N 437.508 1.311 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1620043900 PNUWXIZRPBRLTK-UGKGYDQZSA-N 427.505 1.600 30 10 IDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCS(=O)(=O)CC2)CC1 1620351469 BDDMAMIVLLXEEY-UHFFFAOYSA-N 443.533 1.490 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cn(C)cc(Br)c3=O)CC2)c1C#N 1623617357 DYRVKAXYVSCIDN-UHFFFAOYSA-N 434.298 1.416 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 1632218796 KGGOZLFGXQECQE-LLVKDONJSA-N 444.332 1.835 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2N)CC1 1635737509 PRGSQNLHMCDYDW-UHFFFAOYSA-N 430.100 1.992 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc[nH]n1 1635830832 CUUSGEOKXXXRNT-ZDUSSCGKSA-N 444.366 1.442 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1637044274 ALAQRUVGIAKHNF-CHWSQXEVSA-N 432.468 1.647 30 10 IDEE N#C[C@@H]1CN(C(=O)c2ccc(I)cc2-n2cnnn2)CCN1C1CC1 1642709464 WAKDNBGKLSOGLC-CYBMUJFWSA-N 449.256 1.079 30 10 IDEE Cc1cc(N(CCC#N)C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)ccc1Cl 1652166930 LWRBAGYBKIEBEZ-UHFFFAOYSA-N 429.864 1.091 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1 1658660947 BFAHCBSADBLLBD-NZQKXSOJSA-N 428.533 1.848 30 10 IDEE Cc1cc(S(N)(=O)=O)ccc1CNS(=O)(=O)c1ccc(Br)c(C#N)c1 1661652251 ABVXFSUZLOBLNP-UHFFFAOYSA-N 444.332 1.755 30 10 IDEE Cn1cccc1C(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1663265421 IELZZMAEWNTWAY-UHFFFAOYSA-N 437.319 1.806 30 10 IDEE C[C@@H]1C[C@H](CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CN1Cc1ccccc1 1680697969 VOGBLQCNNARTOX-AEFFLSMTSA-N 436.516 1.688 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 1684731310 JMBDYSJXHIQSNU-UHFFFAOYSA-N 427.530 1.541 30 10 IDEE Cc1cc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1S(N)(=O)=O 1686330278 AYWYRQIMWUTDKF-UHFFFAOYSA-N 441.557 1.978 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689984287 MREYBPXOJQMFRB-IBGZPJMESA-N 436.497 1.788 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1690096201 OGRSVMIYKZLYHQ-XDOYNYLZSA-N 445.483 1.429 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690174647 HJJYTAMETCYDFJ-QGZVFWFLSA-N 443.577 1.664 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS(=O)(=O)C1 1690210930 NRXYTWKXFVEWDC-WIYYLYMNSA-N 430.578 1.957 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOCC1 1690254574 CYZBUTCLQKLNEU-TUFLPTIASA-N 449.596 1.752 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690308769 ZFRJYYFTYOBGSY-KRWDZBQOSA-N 449.581 1.436 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1690671078 OPDAIKMAGQSDHV-MRXNPFEDSA-N 447.609 1.825 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1691017094 YQGDPXQJCBRFIT-PZPWOCDFSA-N 444.561 1.553 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1695405338 VXLKQPJGBKWZJZ-QMWCZEAPSA-N 443.552 1.671 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1C(C)(C)C 1696622880 FIFSDSRWORHWQP-MRXNPFEDSA-N 432.550 1.603 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2nnc(C)s2)c1 1705505921 WBRKNPHBWPIBLB-UHFFFAOYSA-N 447.528 1.943 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705520033 GHVXILBYNNGVBV-NRFANRHFSA-N 426.546 1.790 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1705576888 SMGQDVJRYAJCBW-UHFFFAOYSA-N 448.508 1.781 30 10 IDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705686699 IDVCACJQVCFXIT-UHFFFAOYSA-N 448.369 1.593 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC=C(Br)C1 1705894599 DOVZKDDOWCCUCD-UHFFFAOYSA-N 446.309 1.717 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 1706426025 FFQADMUHCLAVRJ-HXUWFJFHSA-N 437.548 1.554 30 10 IDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1706574529 GRDPJBSCUQWDJT-UHFFFAOYSA-N 437.548 1.629 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1706648682 QIKVNDWICVYMHH-IBGZPJMESA-N 437.548 1.928 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1711074114 UEEMNWFEEDYKBJ-RTBURBONSA-N 445.545 1.494 30 10 IDEE CS(=O)(=O)NCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1 1712713486 BNFSMUQKVRUKGS-HNNXBMFYSA-N 448.459 1.886 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCOC 1722296039 ZMFNFONKAAJMHI-MGPUTAFESA-N 434.566 1.484 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722370670 DPMNWLCTCCSEED-IBGZPJMESA-N 441.557 1.384 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1722380346 JYBOWENNMJHUDK-WJOKGBTCSA-N 434.525 1.968 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1722382964 LHRCVMVCMYDTQR-UHFFFAOYSA-N 432.532 1.051 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[C@H]2OC)CC1 1722432805 FOFZHGQPIIPRMH-MZKRTTBSSA-N 431.581 1.889 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722435717 SJCJVRUINDHMCG-UHFFFAOYSA-N 425.537 1.962 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1722501093 LPRGJVWDFPTESA-CABCVRRESA-N 433.600 1.258 30 10 IDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722566928 DUYPZLNXKYLOBO-UHFFFAOYSA-N 443.533 1.528 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1722622734 SABFIJWIERJYJF-QGZVFWFLSA-N 442.630 1.792 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722693202 GMEIFTKVUCMVRH-INIZCTEOSA-N 433.534 1.269 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)C)C1 1722711737 HYXZMZMGKDYOEG-HNNXBMFYSA-N 447.565 1.108 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722736966 OIZDVUFAFDQUBA-QFBILLFUSA-N 428.555 1.145 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1722754433 KHRVQEUHRMBIFT-FQEVSTJZSA-N 439.564 1.700 30 10 IDEE CCNC(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1728662231 HCYUJGXEPXQYBN-HXUWFJFHSA-N 431.500 1.791 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740605024 LNMRKYLXGKMQPE-QZTJIDSGSA-N 435.536 1.490 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1740655892 GAJCANOMRVWVKB-XUVXKRRUSA-N 431.606 1.764 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740720933 RSRHKPYOGOQHGS-QGZVFWFLSA-N 439.545 1.103 30 10 IDEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCNS(C)(=O)=O)CC1 1740841014 OSNZVCVZVCFADY-UHFFFAOYSA-N 443.577 1.858 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740986313 WESOWRTYBYJEBD-MRXNPFEDSA-N 449.581 1.400 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1741002710 LKAKIOWWCCMCOY-LVYZTWJOSA-N 426.608 1.697 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1741306550 VAUFPRFXFIZBHF-JTSKRJEESA-N 438.536 1.229 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1741886973 XNLMHIWWFQIXJK-FOIQADDNSA-N 433.534 1.492 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1747366577 SNZLKSOYSSUAJE-GOSISDBHSA-N 439.520 1.806 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCN(C)C1 1748647577 QFBXHQLUFXNEAA-YCRPNKLZSA-N 445.593 1.071 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1749519746 RIHNPZPDBVYEMS-HUUCEWRRSA-N 428.580 1.160 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749651655 ZUSRBUPLGCMSCH-HNNXBMFYSA-N 428.541 1.527 30 10 IDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751923821 SQACYGZWRCTQCD-QURGRASLSA-N 446.515 1.701 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760190958 XUOYWFKZSDSLHK-ROUUACIJSA-N 434.587 1.984 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760372581 ONMJZSWDKHQHJE-BEFAXECRSA-N 444.971 1.867 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760527725 GTHXBPASRJZYSS-OPAMFIHVSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(C(N)=O)CC1 1760553153 MXAHLNKFOUVJOS-UHFFFAOYSA-N 437.953 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(C(N)=O)CC1 1760556806 QNFHKYXIMLQZEN-UHFFFAOYSA-N 431.562 1.480 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1768526109 FOAOHOJVJFYXKN-NRFANRHFSA-N 444.561 1.715 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1768904170 XOKLLQCQRKPPAD-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE COC(=O)[C@@]12CC[C@]1(C(=O)ON1C(=O)c3ccccc3C1=O)CN(C(=O)OC(C)(C)C)C2 1772794236 DTZSGXPDIVQTRV-FCHUYYIVSA-N 444.440 1.931 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)CC1=O 1852375500 FBTHMHFJHHSMKJ-DLBZAZTESA-N 434.514 1.029 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCO[C@H](C#N)C2)cc1 1852748151 BMBNSFRRENNMIG-UYAOXDASSA-N 429.498 1.336 30 10 IDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)[C@@H]1CCN(C)C1=O 1852959910 LUMDUTXEIXRKCI-IAGOWNOFSA-N 427.954 1.888 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC2CCN(c3ncccc3C#N)CC2)c1 1853088156 CVRJYCWPIBIROO-UHFFFAOYSA-N 427.530 1.850 30 10 IDEE COc1cccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1OC 1873528794 HOWWYCGSVWYOHK-OZOTYFBYSA-N 426.882 1.720 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N(CCOC)CCOC)ncnc21 1873562630 LWMNMQXWVXPZCF-UHFFFAOYSA-N 444.536 1.054 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(NCCO)ncnc21 1875231198 DLCAMBVOXBDSTN-UHFFFAOYSA-N 436.516 1.993 30 10 IDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232688 UMPXFXPQONGIHF-UHFFFAOYSA-N 432.506 1.179 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 1890500760 HSZNRBGSSRCEHB-UHFFFAOYSA-N 436.534 1.015 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 1962318099 BJLRAUQXQHWXOZ-LSDHHAIUSA-N 433.324 1.898 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2073248747 TUKJGIRUFROOMB-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247918042 HVJIIQWSEOQICD-OLZOCXBDSA-N 439.343 1.464 30 10 IDEE C[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247951734 KGKMUNTXLCNOIO-OAHLLOKOSA-N 435.355 1.291 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2255842387 QSFHNPBOPWXDQZ-WBVHZDCISA-N 425.342 1.507 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267144111 RIVHPNZJDDRATR-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE C[C@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267265805 KVKXZBPWEXJQMO-AWEZNQCLSA-N 447.341 1.481 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2267275347 MWKMJDSXVIHYAD-UONOGXRCSA-N 447.345 1.196 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267500549 KMNIKGUGFOHVJS-DZKIICNBSA-N 446.357 1.705 30 10 IDEE CO[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2267589166 WMBSKCSTLBGWMX-IAGOWNOFSA-N 447.341 1.745 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H]2COC[C@H]1CC(=NO)C2 2296350447 OQFQCLJBNYLZER-HZPDHXFCSA-N 435.502 1.476 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 2296613839 PMHMPCSBFRDXHR-LJQANCHMSA-N 425.489 1.566 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2299262612 IWRWZKVZGMYSKR-NWDGAFQWSA-N 438.359 1.749 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303104444 KFNOLUAFTPPQCM-KBPBESRZSA-N 425.335 1.840 30 10 IDEE COc1cccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 2322659629 GFFBQZXOCHOCTC-LBPRGKRZSA-N 441.307 1.820 30 10 IDEE COc1[nH]c(=NCC2(CNC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2339788216 MBAYDUOKXXSHDM-UHFFFAOYSA-N 449.357 1.765 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)c(OC)c1 20527322 WSIITEKVPMJUEL-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 437665616 AKBCYOJJQKCTNH-MRXNPFEDSA-N 427.530 1.656 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@H]1CCCO1 447009841 ZVXWAYJWQWLXDS-MRXNPFEDSA-N 437.521 1.864 30 10 IDEE COc1cccc([C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCO2)c1 484821856 OFHMAFOQBMHMGO-QRWLVFNGSA-N 429.498 1.834 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 505673833 PFKQIBYJDIUDKN-GOSISDBHSA-N 435.546 1.397 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 511495279 DYCXYJXNVXPSPJ-UHFFFAOYSA-N 428.452 1.239 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](C(=O)C4CC4)C3)CC2)cc1 513718256 JYGMUVQJBGNPEL-IBGZPJMESA-N 431.514 1.165 30 10 IDEE COc1cc2c(cc1OC)CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 514697537 XBCQWCRPTBGUPG-UHFFFAOYSA-N 429.498 1.481 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 518484234 NMQWUNQSCJEINP-UHFFFAOYSA-N 445.444 1.671 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 523079460 JVPLPUNXDMXZIN-UHFFFAOYSA-N 443.569 1.599 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)o1 523180644 ANNKSLGUZFYJBY-UHFFFAOYSA-N 429.542 1.262 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 545194684 KJGLYJFJFHIVSV-UHFFFAOYSA-N 427.526 1.524 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 555250151 CITALLHQCGKMRK-MHJFOBGBSA-N 446.596 1.759 30 10 IDEE CN1CCC[C@H]1[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 590400550 WHDSWKOIBXGZPC-LEWJYISDSA-N 446.573 1.281 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCCO1 603797247 AWHABUFATRULIQ-INIZCTEOSA-N 443.956 1.868 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1ccc(C#N)cc1F 609230919 DEEJJRKDKKBOMV-SFHVURJKSA-N 447.488 1.555 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 619851306 BEDKRXRWMGUTPU-SJORKVTESA-N 449.515 1.973 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 732152946 CQVWWMWKMKKQIU-WSZVGLCRSA-N 444.488 1.359 30 10 IDEE N#C[C@H]1CN(C(=O)CNC(=O)c2ccccc2I)CCN1C1CC1 732678771 MEHLVDQSNFJJLK-ZDUSSCGKSA-N 438.269 1.220 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cscn2)cn1 741450595 XZNZBEAISWWYGX-MRXNPFEDSA-N 449.606 1.949 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1OC 744623303 RCTDLDPCNATBEB-UHFFFAOYSA-N 428.489 1.903 30 10 IDEE COC(=O)c1ccsc1N1CC[C@@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 745098624 FJNWGHDSSGPGQL-UWZWCOGJSA-N 433.442 1.100 30 10 IDEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)c(=O)[nH]c21 750413896 FKUFCNOJCDUSBR-SREVYHEPSA-N 425.470 1.837 30 10 IDEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755545438 IAKOWLXPZHMFJS-HOCLYGCPSA-N 430.461 1.595 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN3C(=O)OCC[C@@H]3C1)CCCC2 764443585 ZKYTZRCXPXQCRF-IAGOWNOFSA-N 441.532 1.883 30 10 IDEE COc1ccc(C#N)cc1COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 772243405 KNGSWOJKSMFWKH-MGPUTAFESA-N 432.498 1.955 30 10 IDEE C#CCN(C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774249284 XSUDJDVUZJELKS-GOEBONIOSA-N 443.447 1.643 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@](C)(O)Cn1ccccc1=O 790681348 BFHWNTQTJVUUMH-KSFYIVLOSA-N 427.457 1.486 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)cc2C1=O 801470672 FUOOFBRYLJWVQM-WMLDXEAASA-N 429.473 1.426 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(Cn2cccnc2=O)c1 918330968 FJLHIUPTQZUBSY-UHFFFAOYSA-N 437.481 1.359 30 10 IDEE Cc1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1136524429 CJGNZAGFUZOUTB-HXUWFJFHSA-N 441.381 1.849 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1137799710 HQBFZJAOLOLQJW-GFCCVEGCSA-N 425.230 1.684 30 10 IDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1138389719 NNUINPUNHNFBFO-CQSZACIVSA-N 430.493 1.935 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1141906129 ALNIUMCOSYCIQL-KRWDZBQOSA-N 436.530 1.849 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)CC2)o1 1146992792 CHBZJVMJSSOQPG-MRXNPFEDSA-N 445.520 1.966 30 10 IDEE C[C@H](CC(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)/N=C1/NS(=O)(=O)c2ccccc21 1178157027 BDFWJIYKDRJNBX-FICUIRKSSA-N 435.546 1.593 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1179874613 BXBIQQSKTJEJHO-UHFFFAOYSA-N 438.556 1.817 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1211664836 YPMMBBAETAUWIR-ROUUACIJSA-N 440.518 1.451 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC1CC1 1286279259 LCERGUUTUKMAKX-HNNXBMFYSA-N 444.561 1.180 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1-c1ccccc1 1286401295 PCLQOPCSSIFXPV-HSZRJFAPSA-N 431.500 1.632 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C 1286454199 HRGMMJDKTQAMFR-CVEARBPZSA-N 436.557 1.617 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1286454681 ZURHFWPKIRBHPG-SJORKVTESA-N 444.561 1.401 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286483995 FLWMZKMRBZMFTE-GHTZIAJQSA-N 443.523 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCn2ccnn2)CC1 1286489525 WINDXSJLHUPKKT-UHFFFAOYSA-N 432.532 1.901 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([S@@](C)=O)CC2)CC1 1286493135 LSKVJBIUFHALJT-BJLXPSRBSA-N 433.578 1.049 30 10 IDEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286599130 LJUCEWMCKWBTCM-SJLPKXTDSA-N 443.556 1.108 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1286626635 DDUYYDAWMXENJS-UHFFFAOYSA-N 427.896 1.646 30 10 IDEE Cc1ccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1293789820 LJSGYCGIBUEKJT-MRXNPFEDSA-N 425.381 1.854 30 10 IDEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1295505388 DBJYDTVACXAQAB-GOSISDBHSA-N 445.593 1.534 30 10 IDEE CN1C(=O)N[C@H](C2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)CC2)C1=O 1298795454 BYZHTUIVAHMIFT-MRXNPFEDSA-N 425.493 1.855 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300268967 XMPYOQWICCYWLA-IERDGZPVSA-N 445.545 1.155 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1300393036 RSVGMJWAEUNLJZ-IBGZPJMESA-N 447.488 1.524 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1300464854 IOSDUTCEDSDXRC-LBPRGKRZSA-N 428.440 1.301 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1300556412 HNMFVHUPQHVDRI-QGZVFWFLSA-N 447.536 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1300557734 WSXGGYYAXPJYGH-QGZVFWFLSA-N 429.546 1.798 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1300630475 CHFPCCMRSBIQNY-HXUWFJFHSA-N 443.573 1.996 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1 1300767404 WSAJMTFPJRTSPL-UHFFFAOYSA-N 426.590 1.931 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)CC1 1301482556 XBLFBTATSVMROB-KRWDZBQOSA-N 426.521 1.663 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(F)(F)CC1 1301492379 HQZRBUMJCWDMNM-UHFFFAOYSA-N 429.435 1.459 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301575974 OAHDHURFOCJKDR-QZTJIDSGSA-N 440.529 1.132 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1301952165 HUBYSVQSHDOYMB-IXDOHACOSA-N 445.593 1.935 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2COCCO2)C1 1302290803 SUCITLUSIAJFPX-TWMKSMIVSA-N 448.524 1.193 30 10 IDEE N#CC1(C[C@H](O)CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CCOCC1 1307562373 AAMIJQNOVZYNAP-ROUUACIJSA-N 425.526 1.640 30 10 IDEE CSC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1316435842 FYBISCCKYMGIGY-PXNSSMCTSA-N 447.586 1.698 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)C(C)C 1358975753 CRERDVCQMBHFKA-SFHVURJKSA-N 428.562 1.982 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N(C)C 1359002962 SZHDNKOETKSTSJ-UHFFFAOYSA-N 432.550 1.133 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359062667 PBKFVLXRBPHLLW-OWSLCNJRSA-N 433.578 1.331 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359219441 QLNNAFWIHOBMRH-KRWDZBQOSA-N 435.536 1.743 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1359303261 IRLFCCVFUOFBKS-PKOBYXMFSA-N 438.532 1.669 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC)CC2)cc1 1359307572 OWOPHBJXNRWREH-SFHVURJKSA-N 426.521 1.857 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1360475748 DGZAMTLRZJQYFU-MAUKXSAKSA-N 439.520 1.483 30 10 IDEE N#Cc1ccc(NCCNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)nc1 1464042357 LTBGUVWBGFMOAG-UHFFFAOYSA-N 449.558 1.250 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1464416778 DVEMIZBRCDINTN-ZIAGYGMSSA-N 425.445 1.099 30 10 IDEE C#CC1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1469364685 NMWHUQKYXJVILH-UHFFFAOYSA-N 435.521 1.311 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1469536011 WNMQZVJRTHZEEY-OXJNMPFZSA-N 442.541 1.568 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1OC 1472222253 JOEFHMJIGUIULS-YCBMEZOASA-N 448.541 1.601 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1479148325 WMZIYKHCNXJNSP-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1497379744 TZRSBQQJIOIENX-SFHVURJKSA-N 438.536 1.419 30 10 IDEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)n1 1503665769 NSXZQWIYFNQMGU-UHFFFAOYSA-N 430.494 1.145 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1504822933 FDFXXCMXFKEKTG-SFHVURJKSA-N 446.577 1.961 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)C[C@@H]1C 1504913067 GDTHDKCDIYIYTI-FXAWDEMLSA-N 428.537 1.635 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1504957517 KQQMHKMDZRRZAT-DLBZAZTESA-N 439.582 1.957 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507535844 IOOREMGBPMGRBM-OAHLLOKOSA-N 436.965 1.920 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507581196 OPDSGEYNEYFYJJ-UHFFFAOYSA-N 446.559 1.754 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc(C)nc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 1507634869 QFQYPDFVZNBYDP-IBGZPJMESA-N 442.589 1.819 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507653932 SXYAITBSLYICMP-XZOQPEGZSA-N 433.556 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)CCOC)CC1 1507732287 DRXJMFNJNVVRFA-WOJBJXKFSA-N 432.613 1.530 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCNS(=O)(=O)CC)CC1 1507881209 PXASDFWPPKQJCF-FQEVSTJZSA-N 441.598 1.805 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1508022357 XBBUMWXUVQUOAO-QGZVFWFLSA-N 439.582 1.749 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1508040640 WPFDAPDTLIHWMW-MRXNPFEDSA-N 441.458 1.637 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1508163222 VMTVCKMAPPCOSR-JKSUJKDBSA-N 429.612 1.467 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1516946279 FZZFUKJWHZWIKQ-NPPFBWRTSA-N 447.559 1.557 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1539180284 YXFQDJDMKCJTID-MRXNPFEDSA-N 434.541 1.571 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1539261173 ZSCBELRCNOGBBI-UHFFFAOYSA-N 444.524 1.956 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1539362331 XPSBXGVOJMBCQJ-QGZVFWFLSA-N 436.516 1.940 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1539391577 FLNYASHWQASGKK-QGZVFWFLSA-N 448.568 1.856 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NCC=C)CC1 1539430182 HFBJYYHKQMVSHI-QGZVFWFLSA-N 426.496 1.615 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1539752304 JNESOCOZFFEDTP-UHFFFAOYSA-N 433.578 1.852 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540874580 LUFVMXKSQZZDEY-QGZVFWFLSA-N 447.561 1.399 30 10 IDEE NC(=O)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1Cl 1545195989 YASFOPYSXUHUIK-INIZCTEOSA-N 448.932 1.892 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1545695665 AVBVLEYZWVZNID-KBPBESRZSA-N 429.481 1.039 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1O 1554546145 SFIZCRHMOUAFEL-VZKMNXCRSA-N 439.516 1.728 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1555280044 CLSUQRSKRWURDC-HZPDHXFCSA-N 437.497 1.337 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1555483532 NINCZXDZBINBQB-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1555801793 PKYZYSKLPCAAEG-UHFFFAOYSA-N 444.561 1.733 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1555816645 PTLFOFMMTFHHCW-RTBURBONSA-N 444.561 1.619 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555995159 YQTZNLOFWXRURZ-QURGRASLSA-N 446.515 1.920 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)C[C@@H](O)CCO2 1558494652 BGMCZAMSVPYAEN-WMZOPIPTSA-N 449.573 1.816 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)NCCc2ccccc2)ccc1F 1583232681 LWTBTEJCVOHSRE-OAHLLOKOSA-N 433.505 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 1585183702 UBSPCWHCFFZZRM-SJORKVTESA-N 439.476 1.506 30 10 IDEE C=CCCSCCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1586866903 QEOWCQOEYUSQEM-UHFFFAOYSA-N 425.576 1.579 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1588138295 BXYXMGAROUQMLF-SFHVURJKSA-N 443.598 1.373 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COC[C@@H]3c3ccccc3)CC2)cc1 1588158617 WVMCVOZGXYBBFD-RTWAWAEBSA-N 425.510 1.821 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1588265568 DGUDSOKGZXMLSV-OAHLLOKOSA-N 428.628 1.175 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1588559399 GEGLUBMSZVUAIX-UHFFFAOYSA-N 432.525 1.079 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2cccn(CC)c2=O)CC1 1588848886 PQUVNXUUOFVKQC-UHFFFAOYSA-N 434.519 1.993 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1589207201 ITASJBWTMCMURM-PGRDOPGGSA-N 441.557 1.814 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCS(C)(=O)=O 1595084264 JAOMGBMRUIGDDV-UHFFFAOYSA-N 430.534 1.525 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595523380 VWXKCMBJJAGZSB-HNNXBMFYSA-N 437.508 1.217 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1596799029 LGQHJVRXBVQVIW-ZDUSSCGKSA-N 426.930 1.651 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(Cl)cc(Br)c3C2)C1=O 1611239862 OIUOQGVALVSLFG-UHFFFAOYSA-N 440.681 1.964 30 10 IDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)N(C)[C@H]1C 1613895721 DLXYPFPYUQDIIS-IEDTXYBKSA-N 445.588 1.783 30 10 IDEE CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1614961065 SCZWJXRCMWFVFW-UHFFFAOYSA-N 435.492 1.130 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1615334961 FFPOGDFKODSCET-UHFFFAOYSA-N 448.535 1.577 30 10 IDEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CCC1 1617651480 GFOJHEAMCBYBJJ-UHFFFAOYSA-N 437.548 1.772 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1618291154 MFEQJBZFODBBLH-KRWDZBQOSA-N 433.476 1.138 30 10 IDEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1619387522 AIDBTDRJQMIPOQ-FQEVSTJZSA-N 431.518 1.243 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@@H]1COCCO1 1619913133 VCWQFDXMEKUUHP-XLIONFOSSA-N 443.504 1.963 30 10 IDEE COCCOCCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1620077670 CQUIIHANPVLLCF-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE O=C(Cc1ccc(Br)cc1)N[C@H](C(=O)N[C@H]1CCN(O)C1=O)c1ccccc1 1624906627 OQYIVGKHEOUEGW-WMZOPIPTSA-N 446.301 1.955 30 10 IDEE CON(C)S(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1Cl 1629080133 AIZYLCYMPMTLHO-UHFFFAOYSA-N 436.877 1.762 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629486237 WGVZCLAPVCECTN-WMZOPIPTSA-N 448.545 1.552 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CNc2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC 1631579805 WJZQOEHVSVAPOC-INIZCTEOSA-N 433.486 1.909 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)CCOC1 1633316079 GYUXBBFLYNVUSA-QHCPKHFHSA-N 436.468 1.835 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@](C)(C#N)C2)c1 1636284292 LGGRUZSKOQTUOB-INIZCTEOSA-N 446.323 1.128 30 10 IDEE C=CC[C@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1640141333 IWIXLDUCNIFUSB-KRWDZBQOSA-N 435.546 1.485 30 10 IDEE Cc1nnc(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)n1C 1644186124 XWHASYJSWRYGGT-UHFFFAOYSA-N 444.337 1.543 30 10 IDEE CCOC(=O)[C@H]1[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC[C@H]21 1644492421 OVAYXCLMYLNPFT-FCIYXJNOSA-N 428.508 1.666 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@](C)(CO)Cn1cnc2ccccc21 1648711030 AIWDEMNWNOOQPA-BTYIYWSLSA-N 441.513 1.142 30 10 IDEE Cc1ccc(O[C@@H](C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Br)c1 1648787107 HQYDFOOMJMARCS-NSHDSACASA-N 433.262 1.742 30 10 IDEE Cc1ccc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1S(=O)(=O)NCC#N 1648875540 GXVDWLRWXAHKNL-VQFNDLOPSA-N 448.545 1.734 30 10 IDEE CCOC(=O)c1cn(CC)nc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1653443485 HKJAKMLVKZJVKU-LBPRGKRZSA-N 433.490 1.536 30 10 IDEE C#CCn1cc(CNS(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)cn1 1655958659 PYVOHPMEFIDOCB-QHCPKHFHSA-N 431.337 1.770 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)nn1 1664571311 ZNKQLJIKAICZRB-UHFFFAOYSA-N 441.300 1.795 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 1672161074 XCUISPZSOWQBBP-IBGZPJMESA-N 434.493 1.693 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1672490051 QGSMSLRHXPESGA-GOSISDBHSA-N 426.970 1.874 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)CC2)c1 1674055696 RSVYMZSBGRZHIJ-FQEVSTJZSA-N 425.533 1.195 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1689856326 OHOVVNWEAXSSKD-MRXNPFEDSA-N 434.591 1.100 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1689986611 TZHVJFHTTMUPTG-UXHICEINSA-N 442.589 1.841 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)(C)C)cs1 1689999840 JMTLSWRPHJGPCG-CQSZACIVSA-N 434.591 1.763 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)c1cc[nH]n1 1690001194 GUWHTKRFPDOVMC-UHFFFAOYSA-N 427.512 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2oc(CC)nc2C)CC1 1690146667 TXESXDHURBEEFC-QGZVFWFLSA-N 426.521 1.655 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1690675670 BIZSNTVGMRQKIE-XUVXKRRUSA-N 436.516 1.750 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2CCOCC2)C1 1690714318 KDOWOAGQJPJWDV-ZCNNSNEGSA-N 449.596 1.894 30 10 IDEE Cc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693509381 HKSDLFFSDRXBSP-VXPUYCOJSA-N 439.451 1.105 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H](C)C#N 1694614205 FNLOEVPNZFUNDW-VKJFTORMSA-N 431.541 1.951 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697774017 FNYJNPSQGBVSRZ-CVEARBPZSA-N 437.483 1.701 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)C1CC1 1698152153 IAJSPOWQSYKESB-RCDICMHDSA-N 442.520 1.698 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1 1698309841 VOLCFWBJIPPNKX-KRWDZBQOSA-N 427.527 1.434 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1698461822 ASIKHVUMNZLXEQ-PFANNTFUSA-N 430.509 1.312 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1CC2(CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 1705568749 UQDLDBAAUYTZMD-GOSISDBHSA-N 436.578 1.648 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1705573389 FXBDZTVJCPBMPY-HNNXBMFYSA-N 431.518 1.027 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1705639504 PPGFOOVEVIHZBM-HXUWFJFHSA-N 443.573 1.727 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705754649 CJYXPNZFLDYKKL-KRWDZBQOSA-N 449.964 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C#N)cc1 1705928204 NUFJQZMIPUUVJN-UHFFFAOYSA-N 430.534 1.525 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1706080141 YZNVCCGJPSRLAD-KFWWJZLASA-N 440.570 1.689 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(NC(N)=O)cc2)CCOC1 1710456956 IAIJRPUCBNAYSE-LEWJYISDSA-N 443.483 1.911 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1711236658 GOMKDTVNSLLETO-GOSISDBHSA-N 443.485 1.784 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@H]1C 1722374719 CKNGVCKUWNJSNH-VGOFRKELSA-N 426.542 1.973 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)CC1 1722435024 DUCDXXPTMUPAMI-UHFFFAOYSA-N 443.573 1.534 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722491637 MJCMEORTYIINTI-OYSTVDSJSA-N 449.552 1.918 30 10 IDEE C=C(C)Cn1c(CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722524211 UUGCESWKZVAMKW-ILXRZTDVSA-N 425.555 1.543 30 10 IDEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722622725 NAUFDHFAGRFPTK-JTSKRJEESA-N 446.552 1.758 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1csc(C)n1 1722701952 IEMBTWWFNUGVMR-MRXNPFEDSA-N 429.550 1.809 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1722868043 IMYLXIUXNMZSGG-NVXWUHKLSA-N 444.540 1.964 30 10 IDEE C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1726702622 IKSNEVVYTVDIBN-JGWKNBOWSA-N 429.525 1.060 30 10 IDEE C[C@@H]1COCCN1c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1726748314 FUQWCYZVSTWINZ-MSVBSMQLSA-N 440.479 1.760 30 10 IDEE CN(Cc1ncnn1CC(F)F)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1729447390 XBJYMAXBERDILT-UHFFFAOYSA-N 444.446 1.747 30 10 IDEE CNC(=O)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1729690373 ZJYGSWVNJBUORR-UHFFFAOYSA-N 425.493 1.380 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1730907942 CAZGFUBDCRFQIW-IAGOWNOFSA-N 426.477 1.031 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)F 1740532971 NKZYEUURGYLPAI-STQMWFEESA-N 442.492 1.433 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1740550690 JKFHMKNQLCGOMD-GXTWGEPZSA-N 443.982 1.832 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1740626189 KEORIYJZALOAJR-CVEARBPZSA-N 435.937 1.505 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2c[nH]nc2C)CC1 1740692239 HGTVBJSKIJYNMW-JOCHJYFZSA-N 427.553 1.350 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1740694382 IFKFUUUTALLDKR-JOCHJYFZSA-N 449.603 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)C[C@H](C)C(=O)NC)nnc1[C@]1(OCC)CCOC1 1740766548 IOQOZKXXHZHWNX-SUWCGCSTSA-N 435.569 1.730 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(C)(=O)=O)C1 1740978413 URVBRNGLIRTXIG-MRXNPFEDSA-N 449.533 1.394 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCCN1CCC[C@H]1CO 1741653059 KWWICZIKZOEBCK-SFHVURJKSA-N 431.585 1.783 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1744755567 ACOQPTQPIULXDN-QZTJIDSGSA-N 442.545 1.499 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1745171978 GPPGPISFARFRPB-QRQCRPRQSA-N 437.504 1.472 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1745339022 UYFQQLHHHSUBPU-MSOLQXFVSA-N 437.504 1.810 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1747441527 KDHLNVZHKPXPPK-MAUKXSAKSA-N 432.550 1.617 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 1748651487 NFTKKGOOAFSGJF-SFHVURJKSA-N 442.589 1.915 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748811427 GRJKJBPYASTEMB-RTBURBONSA-N 444.605 1.642 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNC(=O)Cc1cccc(F)c1 1748886597 IPQZUTYDPUADLV-UHFFFAOYSA-N 431.475 1.696 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1 1748951196 VBPIJROOGSVCBD-UHFFFAOYSA-N 442.476 1.221 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)C)cc2)CC1 1748994155 BIKJZALDIRCXOI-UHFFFAOYSA-N 436.560 1.991 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N2CCOCC2)CC1 1749009835 LWCYDFQWWLXYJQ-UYAOXDASSA-N 444.580 1.206 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC[S@@](=O)CC)CC1 1749016564 GGPQBSZXUONTBC-HKBQPEDESA-N 441.601 1.912 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1749650078 IVAFVORGGMWGOS-HNNXBMFYSA-N 431.566 1.867 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1749650414 WDARINSYPYCPRV-MRXNPFEDSA-N 426.525 1.064 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ccnc(C)n2)CC1 1749721974 XWGNTNOYTKFDAW-MRXNPFEDSA-N 433.582 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749724965 PAKZIJOOQNOIEZ-LJQANCHMSA-N 442.545 1.522 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@H](C)CC#N)CC1=O 1749861744 FTEMELSZYZWRJL-HZPDHXFCSA-N 440.504 1.907 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)C(C)C 1749967864 TVXHBMQXTZJZPH-NYHFZMIOSA-N 444.536 1.944 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1749969382 GNZWEZPWKQCVGG-UHFFFAOYSA-N 439.520 1.358 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCCC1=O 1760170569 IDZYFCTWEQSJHF-UHFFFAOYSA-N 443.577 1.710 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OCCO)c(OC)c2)CC1 1760270263 NDMAJBLAZXKJMC-UHFFFAOYSA-N 441.532 1.234 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 1760319698 PJSFEDOJQFQJFJ-OXJNMPFZSA-N 428.537 1.736 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1760495040 CYQVNZMZQLLXFE-KRWDZBQOSA-N 439.545 1.988 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1760519504 GRLYXBBLPJEGDS-KRWDZBQOSA-N 440.504 1.123 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)C1 1760548487 HVHHKFZSSXPRMN-GOSISDBHSA-N 431.562 1.699 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1760653598 DMZCNQNCHWNBAJ-FPOVZHCZSA-N 438.532 1.975 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(OC)CCOC1 1767941694 FEAFFMNGHHROTR-OAQYLSRUSA-N 427.509 1.213 30 10 IDEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1768047299 MVVHCURJOIRKDQ-HOTGVXAUSA-N 440.570 1.214 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(F)cn2)CC1 1768463904 AZLLEZUPOPSRGV-UHFFFAOYSA-N 448.506 1.609 30 10 IDEE CN(C)CCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1768517224 DLYJKPBOVYPSQU-SFHVURJKSA-N 436.520 1.642 30 10 IDEE COCCN(C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1769780155 LFONMSPQOADXMG-INIZCTEOSA-N 434.491 1.844 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1770316120 GZPHDGGKPNJXQK-MOPGFXCFSA-N 445.545 1.636 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1771272617 OGXVLEVMIXZTAY-GOSISDBHSA-N 425.493 1.036 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)CCO1 1771536878 DGFOCKZGJYCDIR-BXUZGUMPSA-N 436.394 1.747 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1771539346 UTEPHSRWATWMIZ-SFHVURJKSA-N 438.513 1.572 30 10 IDEE Cc1c(Br)c(C(=O)N(C)c2snc(N3CCOCC3)c2C#N)nn1C 1852878404 KMXLFFXIRQZPQE-UHFFFAOYSA-N 425.312 1.932 30 10 IDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)[C@@H]1C 1856881663 MPWMMFIINAOGTJ-HNNXBMFYSA-N 427.482 1.558 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862601577 IDWVPDGIIKQUIW-SFHVURJKSA-N 429.425 1.989 30 10 IDEE O=C(N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1887601320 UFUVLEAIEANIPM-ROUUACIJSA-N 430.482 1.385 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(C#N)cc1 1892001013 SZNVUCZQJHRGPN-IPELMVKDSA-N 435.571 1.503 30 10 IDEE N#C[C@H]1CN(C(=O)NCCN(CC(=O)O)Cc2ccccc2)CCN1Cc1ccccc1 1914705691 POBWVJRDIJNIKZ-QFIPXVFZSA-N 435.528 1.993 30 10 IDEE COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C#CCCO)c1 2237313827 TXLHVNVPZGFKHN-UHFFFAOYSA-N 428.466 1.467 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CNCCN2Cc2ccccc2)C1 2247565397 SHHBYDGPGHFAHN-RKRRMPDFSA-N 426.561 1.883 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251299049 HMKYZXUAMLUTLA-WAQRCYSPSA-N 426.319 1.021 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255613271 YACHOOXEJWDBEV-ZDUSSCGKSA-N 435.334 1.196 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629663 ZLPJJCFZNNENPG-KBPBESRZSA-N 434.346 1.942 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255647649 BOIHWYJLIYEOHM-ZIAGYGMSSA-N 436.314 1.679 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(NC(=O)OC(C)(C)C)COC1 2255823438 VGQPISDYFFQDFV-UHFFFAOYSA-N 436.314 1.911 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c1 2255874921 ORRDMLORPRRZJH-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE Cc1cc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2260825103 AYKYFDUXVNCBEK-QGZVFWFLSA-N 434.342 1.796 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)[nH]n2)OC1(C)C 2267136751 MCWNUUDTCSJTMS-UHFFFAOYSA-N 439.369 1.257 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267182543 HKXIGNZANOPDEJ-SQWLQELKSA-N 446.357 1.847 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@H]1NC(=O)C(F)(F)F 2267183179 MCNIECDSQFDRKP-DGCLKSJQSA-N 444.263 1.248 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC1(C)C 2267274194 XFFPFEGOGQSBQE-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCS(=O)CC3)cc2Cl)OC1(C)C 2267360718 WRRZGNBRIWSHDX-UHFFFAOYSA-N 425.790 1.454 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267550496 ZZCNMSKCBPCYRC-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c(O)c2)OC1(C)C 2267727770 YATSBKJFADSAFD-QWHCGFSZSA-N 440.227 1.679 30 10 IDEE C#CCN(CC(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270517807 XYFGERVQBOPZQQ-CQSZACIVSA-N 436.408 1.282 30 10 IDEE Cc1ccc(C#CCCO)cc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2296197048 FUEBQROBOVZIGS-UHFFFAOYSA-N 426.494 1.445 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CCO)COCc1ccccc1 2343485859 IEGDKFBORZPGHB-GOSISDBHSA-N 443.353 1.900 30 10 IDEE N#CCN(CC#N)c1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-] 40618018 QIOAPRZUHCMXKB-UHFFFAOYSA-N 436.432 1.289 30 10 IDEE N#CCC(=O)N1CCCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169843414 OHZLAOMIMBJEEN-OAQYLSRUSA-N 444.491 1.868 30 10 IDEE C=CCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 263627612 UCTPNIAGJOUOGX-UHFFFAOYSA-N 447.293 1.837 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)C2=O)cc1 426372772 PIOQGOXOFBWXHW-LUFDOTTCSA-N 432.524 1.467 30 10 IDEE CC(=O)N1CCN(C(=O)CCNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446623194 HTXHGQJJXPTRNB-UHFFFAOYSA-N 442.520 1.023 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447784883 GGCYJCGQOKCGGN-HNNXBMFYSA-N 449.536 1.085 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 460773388 JZROHMYJCDULGL-WBVHZDCISA-N 446.577 1.862 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 461317426 JEXRTGZMQFUXOR-MRXNPFEDSA-N 441.579 1.360 30 10 IDEE Cc1nc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)sc1C 477930218 WJZAHCJFEKIYSV-UHFFFAOYSA-N 433.559 1.890 30 10 IDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481219245 CUZDPBGYZQUSOE-CVEARBPZSA-N 434.562 1.624 30 10 IDEE CCOC(=O)C1(COC)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 483232622 SPSZYDDJAXCCFY-GOSISDBHSA-N 448.589 1.749 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 509164338 GUBMKFDJIKHHCI-CYBMUJFWSA-N 436.353 1.365 30 10 IDEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 545461444 HOSPCMNPIKNMSA-QGZVFWFLSA-N 442.545 1.595 30 10 IDEE Cc1nccc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)n1 546810350 BJWZCCZTJQNZKA-GOSISDBHSA-N 425.562 1.378 30 10 IDEE N#Cc1cc(Br)ccc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 558082553 HVELQVKKFMECEI-UHFFFAOYSA-N 429.340 1.015 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 558083611 FTAJGORYCANGHS-UHFFFAOYSA-N 437.905 1.913 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 558674054 VIRSKGKTUUKDNC-AWEZNQCLSA-N 426.568 1.452 30 10 IDEE Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N3CCN(C(=O)CC#N)CC3)cs2)c1 561680577 STXQZPRTPJCKIR-UHFFFAOYSA-N 427.486 1.536 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1-c1ccccc1C#N 563421195 LWVFNUMGTITIRZ-UHFFFAOYSA-N 438.871 1.812 30 10 IDEE C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1)N1C(=O)c2ccccc2C1=O 586017488 BSPWGSLKDZZFNM-MAUKXSAKSA-N 430.464 1.964 30 10 IDEE C=CCOc1cc(NCC(=O)Nc2nnc([C@H]3CCCO3)s2)ccc1-n1cnnn1 586323167 WWSYDNVFOGSWDX-CQSZACIVSA-N 428.478 1.981 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCN1CCOCC1 588152270 MDVYPBHENTXQBQ-HNNXBMFYSA-N 445.610 1.730 30 10 IDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 680463938 VKLKAPZJZIQMTP-QGZVFWFLSA-N 437.562 1.365 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccc(O)cc1 685550864 IUGMFQKMOFYXKI-ZWKOTPCHSA-N 433.534 1.844 30 10 IDEE CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1I 694942683 RBJLPNCVUIRKFJ-UHFFFAOYSA-N 437.108 1.889 30 10 IDEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)c(C)c1 727415504 RYELPCIMBCKLGW-UHFFFAOYSA-N 435.505 1.471 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1 728531572 HFUBBKFAXBKSFN-OTWHNJEPSA-N 432.565 1.448 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(F)(F)F)C1=O 730144487 NRUMZFYUFMGLLV-CYBMUJFWSA-N 445.467 1.347 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)cc1C#N 747496910 UKOUIGOBQFCXIV-UHFFFAOYSA-N 446.460 1.501 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F)[C@H]1CCS(=O)(=O)C1 751274553 XGINBISHXZOATG-AWEZNQCLSA-N 430.523 1.117 30 10 IDEE C#CCN1CCN(C(=O)CN[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 755181131 HXAQIHKZOIVDTH-UGKGYDQZSA-N 434.943 1.897 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C)c(N(C)C)c3)cc2C1=O 762749933 GNXDXQJVWYXOTG-UHFFFAOYSA-N 427.482 1.962 30 10 IDEE C#CCN(C(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 774193022 PDDAYFDNNSBDEA-DLBZAZTESA-N 437.587 1.633 30 10 IDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)NCc2ccc(C#N)cc2)CCCC1 786299084 XZDPQAQUISRTSL-UHFFFAOYSA-N 437.500 1.811 30 10 IDEE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787776063 SRSOBEBNCRUCIP-QGZVFWFLSA-N 432.528 1.924 30 10 IDEE C=CC[C@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 790299201 MGTRTTKBRDZMFC-MGPUTAFESA-N 443.566 1.142 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccccc3C#N)c2=O)c1 794608671 LJQMSEYKZLWQHX-SFHVURJKSA-N 444.516 1.608 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800774172 PLWHPHOHVOJDFP-KRWDZBQOSA-N 440.577 1.909 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 802560320 RGWMVHLXUGOZNH-CABCVRRESA-N 442.586 1.958 30 10 IDEE CCN(CCC#N)S(=O)(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 812531137 SKVBSRMXZXYTOL-UHFFFAOYSA-N 443.614 1.920 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)COC(=O)[C@H](C)Oc2ccccc2C#N)ccc1C 914678899 FVBFHHYCUOLIRT-AWEZNQCLSA-N 431.470 1.724 30 10 IDEE CC(C)C(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916694948 WTLHMRSANGPOJH-PYCFMQQDSA-N 435.550 1.832 30 10 IDEE COCCOc1cccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 917344912 WUOGAIVVKMNYKB-UHFFFAOYSA-N 431.514 1.847 30 10 IDEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)cc(OC)c1 1084429354 JXKLPLZLPFDLLG-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ccsc3C#N)CC2)C1=O 1130929320 MVTFHEJCWPKGKX-NRFANRHFSA-N 441.488 1.875 30 10 IDEE CC(C)(C)OC(=O)c1ccccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1131864402 ANZHLVIWWKFKPO-UHFFFAOYSA-N 429.498 1.997 30 10 IDEE C#CCN1CCN(C(=O)CN2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)CC1 1171926421 XXLDHEVFXYTIRM-HIFRSBDPSA-N 433.188 1.592 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)C1 1177759214 LZYDVRWPJPTKCO-MRXNPFEDSA-N 444.557 1.798 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1253261425 DXXPBZUUSFDDGN-OAHLLOKOSA-N 436.509 1.643 30 10 IDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCC1 1265135061 SLPCJRHXUXJUGO-UHFFFAOYSA-N 433.530 1.987 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1C 1286302662 NOBVVBHFLHDOJA-IBGZPJMESA-N 433.564 1.278 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)NCC=C)c1 1286310741 YPJWTEHKEXBQHL-UHFFFAOYSA-N 432.488 1.037 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1286323540 KKLNVAQUALHVPO-IAGOWNOFSA-N 439.582 1.418 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1286376470 LKPSKFPRZKWYJI-LJQANCHMSA-N 441.557 1.420 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286389309 HWDITHVHLSDCSF-LJQANCHMSA-N 436.541 1.913 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1286420581 RPPDIMJPDVQOMG-GOSISDBHSA-N 439.491 1.879 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1286436395 GWJLVQCSCHEAJG-QFIPXVFZSA-N 427.505 1.909 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCCOC)CC1 1286646353 QHGOYVMNHZRSCL-SFHVURJKSA-N 447.561 1.805 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NC)c2)CC1 1286663934 ROVNLAPSZYRNRW-LJQANCHMSA-N 443.573 1.991 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OCC2CC2)C1 1286780535 FOVRUCHKHOUOKG-KRWDZBQOSA-N 439.520 1.623 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1286781106 ONIJWOTXVCPWML-MRXNPFEDSA-N 443.527 1.573 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1286788301 UJGMVYKWQJEMTM-MAUKXSAKSA-N 433.459 1.940 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1286788351 VFXGOQGQNKYAOL-DLBZAZTESA-N 448.568 1.825 30 10 IDEE C[C@H](CC(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1298644709 QJVIBINCTZSUBO-YBOAYWMSSA-N 445.516 1.830 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300325439 ZSFICSIADDYEGJ-HZPDHXFCSA-N 435.525 1.736 30 10 IDEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1300441470 PJKRYROQQFFFMD-JLTOFOAXSA-N 434.587 1.750 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)OC(C)(C)C)CC1 1300727584 ZUOMSROKFBOXRN-UHFFFAOYSA-N 432.569 1.967 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300754033 GAULGIFVLXOKBM-UHFFFAOYSA-N 439.589 1.451 30 10 IDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300762156 ONAQCNYPLJEUEJ-UHFFFAOYSA-N 430.578 1.229 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300989876 RWUXGJNHODNZCD-GOSISDBHSA-N 448.568 1.286 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1301578061 RCNCLBMKUJEVTR-UHFFFAOYSA-N 439.545 1.663 30 10 IDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)CC1 1301606527 RKJRSVXJLAQDLW-UHFFFAOYSA-N 449.606 1.484 30 10 IDEE Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1302721251 FBWMFEMPNMBLBR-FXAWDEMLSA-N 426.542 1.924 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCOC1=O 1302948932 DDQIGRIIRRJXGW-UHFFFAOYSA-N 438.536 1.912 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCC2)nnc1N1CCN(CC(F)F)CC1 1303096183 PACJIAMRPDEYLS-ZPHPHTNESA-N 435.479 1.459 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1C[C@@H](C)N(C)C 1303721266 CVDZJHGYZQQGQF-IKGGRYGDSA-N 425.541 1.109 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1303901589 WXLFUYMNMNZKAW-WMLDXEAASA-N 445.549 1.074 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1305890627 GNIBQVVYYSDLHN-LSJPXJTBSA-N 430.509 1.314 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCOCC1 1313824287 ACOIYWXJVJCNIG-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE COCCCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1316053318 TZKYZGNWCHWQRH-UYAOXDASSA-N 427.505 1.974 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@@H](C)O1 1316505924 ZGESZCDVBMOLRI-HDICACEKSA-N 440.548 1.799 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1353222244 KNAGKSIUYHGFOK-MRXNPFEDSA-N 430.509 1.934 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1358897240 VVTIJTLYCIKHCM-CABCVRRESA-N 435.575 1.695 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1358960796 MBRVQLZAOGRBKS-GOSISDBHSA-N 433.582 1.037 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359131594 YVMAFWIWBSHINM-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1359306656 NAZLAYSZJRNARN-HXUWFJFHSA-N 445.612 1.427 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnn(C[C@H](O)CO)c2)c1 1441736945 MDUMVEKTQJCBOH-VSGPLIKPSA-N 449.533 1.082 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1446991607 XIKNEVXEYSDIPF-OAHLLOKOSA-N 441.351 1.297 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)s1 1448439188 POZDSWLNIDXGAO-KSSFIOAISA-N 428.576 1.439 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3CCN(CC(F)F)CC3)C2=O)cc1 1450594932 GYEQXCZMAVCHBD-QGZVFWFLSA-N 433.459 1.857 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C#N)C3)CC2=O)cc1 1455566087 CGLGFQKYCAKCGM-DLBZAZTESA-N 432.546 1.832 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CN1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2 1460826827 DEXYINXMRXFBTF-FVJLSDCUSA-N 439.578 1.663 30 10 IDEE C#CC[C@H]1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1461810361 BUGMTTIBJVMQHN-INIZCTEOSA-N 431.514 1.641 30 10 IDEE COC(=O)[C@H]1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C(=O)OC)C1 1466317037 FGPGSVAAJLHAOD-DLBZAZTESA-N 436.505 1.590 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)CC1 1467166833 UBOLIBPRTDHBIY-UHFFFAOYSA-N 444.488 1.674 30 10 IDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1499856217 PRRPWCOOUZJMSO-SNAWJCMRSA-N 430.534 1.777 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C[C@@H]1CC 1503217821 CFBAURVLOHVDHI-FQEVSTJZSA-N 449.563 1.931 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1505027773 SYDXOAJOUFZIIP-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCn1cc([C@@H]2CCOC2)cn1 1505059758 SIRZZSKHTVVYDL-DMUMMCEESA-N 443.552 1.999 30 10 IDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507571596 HEAWQGJOBHQXRP-CEWLAPEOSA-N 428.581 1.922 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1507634552 ZATCPIAMVDPPFA-MOPGFXCFSA-N 441.557 1.467 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[C@H]2CCCCO2)CC1 1507737884 GQNKVWTTWKULAN-RTBURBONSA-N 442.564 1.544 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](CC)N2CCCC2)CC1 1507737959 DWVWXOLQFGXFPR-UXHICEINSA-N 428.581 1.622 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1507811234 OUOCHRBMXJKFIA-WCIYBSDLSA-N 433.553 1.578 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507835539 DTEXOFFEMFDKFS-HXUWFJFHSA-N 446.596 1.655 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN2CC)CC1 1507884498 IUBJYOZHBFSGGB-QZTJIDSGSA-N 438.598 1.252 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507966679 AVFXMIWGSMZLEN-GOSISDBHSA-N 446.552 1.040 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NC(C)C 1507980837 DQVGBMCVSXRQOJ-UHFFFAOYSA-N 425.581 1.790 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCCCC2)CC1 1508073085 VFDQAOLLQDVRDD-UHFFFAOYSA-N 445.612 1.953 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)[C@@H](C)C1 1508088158 WYZUZVGPOAAVSW-INIZCTEOSA-N 448.518 1.606 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508089169 AWPFOCDWOAQLBH-HSZRJFAPSA-N 438.532 1.493 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(Cc1ccnn1C)C1CC1 1508135914 CJLLRZKSAHZMSI-UHFFFAOYSA-N 427.534 1.843 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1508168489 WDGHRZGOUDYTCS-OAHLLOKOSA-N 433.538 1.589 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1517097776 UGAGUWSMLLJBEW-UHFFFAOYSA-N 426.521 1.709 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cn2ccccc2n1 1519327592 PYIMTLOZDBXUHT-WMZOPIPTSA-N 425.493 1.621 30 10 IDEE C=CCC1(C(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)CCOCC1 1531518454 TXBRTZLKNGXZGH-UHFFFAOYSA-N 437.562 1.943 30 10 IDEE C#Cc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)c1 1536110327 UZGWGEUCNGIQTD-KRWDZBQOSA-N 430.482 1.907 30 10 IDEE C#CCN(c1nnc(C)n1CCCS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539204718 CIVJHLKJOBWKFU-QGZVFWFLSA-N 436.559 1.077 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1 1539251001 WTILOBVTSMUMMD-UHFFFAOYSA-N 429.532 1.870 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1539257464 KDRCEWIOEXQQLG-MZNJEOGPSA-N 430.512 1.816 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1539323208 DZKGKQMOPGKLLL-IBGZPJMESA-N 431.606 1.908 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC(O)CC1 1539361834 GNLQUPSMBGFWDU-UHFFFAOYSA-N 435.532 1.900 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@H]1C 1539405914 PPRSMCJUWXOJOS-VGSWGCGISA-N 436.520 1.558 30 10 IDEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1541860792 BHRWMYKRWXRJFS-SFHVURJKSA-N 431.548 1.807 30 10 IDEE CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1541910676 AZHAFUBCCCUHIG-MRXNPFEDSA-N 433.582 1.737 30 10 IDEE CCc1nnc(N(C)C2CCC3(CC2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1546409418 HGNMOOPVXBHIFZ-VHEBQXMUSA-N 430.509 1.489 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC#N)CC1 1552379246 DXHXGJJXQBMYHE-UHFFFAOYSA-N 446.533 1.743 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554248046 OZWTVZVFASRRBQ-VXPUYCOJSA-N 444.536 1.592 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1554422344 KBRTYGLPUFWGAF-LJQANCHMSA-N 437.548 1.941 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cn2cnnc2)CC1 1557381477 FYUVTYOKQOJXGT-SFHVURJKSA-N 444.561 1.670 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](O)c2cc(OC)ccc2OC)c1 1558249570 MHORAOFTTGVAJF-VLIAUNLRSA-N 432.498 1.467 30 10 IDEE CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)nc1 1562746735 BAXWESPFXASFNJ-UHFFFAOYSA-N 432.481 1.697 30 10 IDEE COC(=O)c1nc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1Cl 1565046611 QXQBFXLWWYBXGC-LBPRGKRZSA-N 429.868 1.604 30 10 IDEE Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 1569256472 YYMFBVCZVZPSNQ-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1588050288 QLVLRZQEMFZUBE-FOIQADDNSA-N 445.570 1.869 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1588054417 NPWBGEQKEIWOCV-PKOBYXMFSA-N 430.530 1.900 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1588385185 GAAVUHIWTUOQSZ-HZPDHXFCSA-N 439.582 1.895 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)NC)CC1 1588899863 YSVNGJQNSWJDAD-UHFFFAOYSA-N 428.924 1.700 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1595094769 YKUNWUXSWHBYEQ-XXBNENTESA-N 435.532 1.360 30 10 IDEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1595398624 HLWLOCPOOMTHRZ-OAHLLOKOSA-N 442.586 1.564 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1595544530 JNYMKYDSMBGTAG-JKSUJKDBSA-N 434.541 1.435 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1595561955 IWMUKNKVWKWNGY-UHFFFAOYSA-N 447.547 1.300 30 10 IDEE CC(C)(C)OCc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)no1 1597660321 DMNJNKQZQPKIHU-KRWDZBQOSA-N 443.508 1.481 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1606966182 FBTHEJDYUTXJRZ-HJWYETAXSA-N 441.623 1.857 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1611308696 SBTVXSFTBYIJJG-VGOFRKELSA-N 440.552 1.996 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1618853612 UHZCGHZRWUTBAK-CEXWTWQISA-N 425.489 1.746 30 10 IDEE COc1cccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1619373406 GLSHPVMJQUIQQQ-YJBOKZPZSA-N 428.493 1.621 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1619989972 LVMYSEDFTMBMBA-DBXWQHBBSA-N 438.548 1.801 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1620168905 WFOFALQWNMYKFW-UHFFFAOYSA-N 426.502 1.930 30 10 IDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC1CCN(C)CC1 1620482919 XHEZBRDOTHOHSH-HSZRJFAPSA-N 445.583 1.825 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCc1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 1624857595 YEFXWXSHEXZFIB-UHFFFAOYSA-N 428.367 1.951 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)CC1 1625447839 ALPAGFGMKVLCAY-UHFFFAOYSA-N 435.731 1.720 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 1625586748 SDUZKFQHQDICBT-QFIPXVFZSA-N 437.606 1.961 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2cccc(OCC#N)c2)C1 1627819866 MSTPRVLMILQRDT-QGZVFWFLSA-N 437.518 1.629 30 10 IDEE C=CCCn1cc(C(=O)N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)nn1 1629140442 BEFNUHBYDWMSFS-UHFFFAOYSA-N 437.547 1.475 30 10 IDEE C=CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1630846977 JLYZCTRQAHPOEY-MRXNPFEDSA-N 438.347 1.959 30 10 IDEE CN(CCOCCNC(=O)N1CCN(c2cnccc2C#N)CC1)C(=O)OC(C)(C)C 1637073602 KZVJIHLKYXQFFV-UHFFFAOYSA-N 432.525 1.668 30 10 IDEE CN(CCc1cccc(C#N)c1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1644228769 OXOOTPARDSGWPS-UHFFFAOYSA-N 444.532 1.705 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C2)c(=O)nc1O 1653759772 JADBTHPWJPGNFK-HXUWFJFHSA-N 447.417 1.658 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1665426704 PURHVGNCQCGBCH-NVXWUHKLSA-N 439.534 1.709 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)cn1C 1670814384 FMHZUPXISRYIKT-UHFFFAOYSA-N 429.915 1.249 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1672281737 GWTGNBSZAWKEJT-WMLDXEAASA-N 426.495 1.496 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnc(OCc3ccccc3)c2)CC1 1676963106 QOXKWGWUSAUSKI-UHFFFAOYSA-N 429.502 1.278 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1683230663 WLBUYFXLIQSJSQ-NXEZDXNNSA-N 426.539 1.260 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1690152726 WBJJGTIQYWJRTA-RBUKOAKNSA-N 430.597 1.901 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690497625 VNBNDHRECWUZEI-GOSISDBHSA-N 430.553 1.698 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1691259953 VASFYSSOPQZOCB-OAHLLOKOSA-N 428.497 1.769 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1698225885 KBVHIUNYWDSZMQ-UHFFFAOYSA-N 444.492 1.280 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1698293873 SVZFGHMXZWROMX-AUUYWEPGSA-N 432.481 1.069 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705518298 JEYDQCDMAYLTRB-UHFFFAOYSA-N 437.548 1.241 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705663458 IPCMSPQXJNMBRH-UHFFFAOYSA-N 446.646 1.943 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1705829875 DUOMIMSXCFFAAO-KRWDZBQOSA-N 440.566 1.159 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705860068 AXPAHNFZLTVUOQ-NRFANRHFSA-N 445.545 1.428 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1705884936 BKLAMTVCNZNHOP-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)[C@H]1C 1705899501 VLNKAZQDDSTJPP-CYBMUJFWSA-N 447.337 1.677 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCOC2(CCOCC2)C1 1705907182 CVFNOTRMDXIPBV-UHFFFAOYSA-N 425.533 1.751 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](SC)C1 1705927538 AGHOQTSDPKIYSF-MRXNPFEDSA-N 441.623 1.837 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1705932093 KXIJCZZQEHVVHY-GOSISDBHSA-N 432.594 1.949 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1711018630 DCCSLWVQHPNHEM-DLBZAZTESA-N 446.533 1.157 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C(C)C)CC1 1712104017 ALMZBNYZTRWBGI-QFIPXVFZSA-N 426.521 1.519 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722365201 CMLXPUVHFZFDDI-SFHVURJKSA-N 430.578 1.961 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1722366774 SLRCRPRIJKNIJI-QUCCMNQESA-N 446.573 1.986 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1722391848 WLSHAVNBFLLJFK-SIKLNZKXSA-N 448.589 1.749 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1722398106 XOYLFYJAYPRUEM-MRXNPFEDSA-N 439.607 1.216 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722419943 DRDAEMIOBAXCQA-DYESRHJHSA-N 448.520 1.111 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722504938 IMEWAYXBKDQUHJ-IXIUHKBRSA-N 429.521 1.625 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1729217960 DUXVGULDXYTUTI-UHFFFAOYSA-N 430.534 1.972 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCCC1 1740547039 NGYQHDWGVQBKHD-OAHLLOKOSA-N 443.577 1.742 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740590451 HOIAOLYSJIQFPX-CQSZACIVSA-N 426.502 1.129 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(=O)NCC)c2)CC1 1740695490 SZBDOMCPNFXOAE-UHFFFAOYSA-N 429.528 1.893 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740779090 NYBUBKVXRGSHAJ-NJSLBKSFSA-N 440.570 1.568 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740957942 FDUOZGJMUVOGGC-INIZCTEOSA-N 435.536 1.615 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)[C@H](C)C1 1741046178 YFFPALYKFOPNLZ-MRXNPFEDSA-N 447.499 1.783 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCC(F)(F)C1 1741943476 GMILGIIAJMPSOO-RRFJBIMHSA-N 446.524 1.833 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1748672301 RSRFPQRBUMVHKT-CRAIPNDOSA-N 434.518 1.310 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C 1748846890 LUUUKNYGSICNLQ-VQTJNVASSA-N 431.606 1.764 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)C(C)(C)C 1748948304 LNBCPPLWWYYSRW-PMERELPUSA-N 432.550 1.559 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1748989322 KWUCOAIULSOPLT-WOJBJXKFSA-N 448.637 1.056 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749454625 JVLPYLLXOYFZGL-UHFFFAOYSA-N 435.554 1.188 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749459599 OFZUUZNPRMKAQU-UHFFFAOYSA-N 436.520 1.443 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749655618 NFMAYARLXIUVPG-UHFFFAOYSA-N 438.532 1.705 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1C1OCCO1 1750008527 ORYCPJDLMBXKTD-WMZOPIPTSA-N 443.504 1.825 30 10 IDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1750572360 FCESQWFGACVCIK-UHFFFAOYSA-N 430.534 1.070 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(N3CCCC3=O)CC2)n1Cc1ccc(C#N)o1 1750950165 VYAMBLZLCVKXPI-UHFFFAOYSA-N 425.493 1.520 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3(O)CCO[C@@H]3C)CC2)c1C#N 1751827171 CLEUYEMWQAXEAA-OPAMFIHVSA-N 442.568 1.356 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1760174004 CGDAMRKQUHGYLC-CABCVRRESA-N 431.509 1.506 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1760186369 BXTOQKSKBDAOAZ-GOSISDBHSA-N 437.635 1.611 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1760219995 VDYXVQIBONLMMK-KRWDZBQOSA-N 439.607 1.217 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](OCC)C2CCCC2)CC1 1760260480 ULJBPXPPFWUDBI-VQTJNVASSA-N 428.581 1.970 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760328579 YAHBGWVNDIONTO-RXVVDRJESA-N 434.585 1.442 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760431431 PXQBRUAUQOQVKF-KRWDZBQOSA-N 440.552 1.878 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760453123 OSPBCYHXWCMFFA-AVRDEDQJSA-N 433.553 1.722 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCCN3C[C@@H]2C)n1Cc1ccc(C#N)o1 1761476383 MHIKZCZHXORUIJ-SOUVJXGZSA-N 433.538 1.074 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)n1 1761961827 YPGKTKOSHRKAIL-HKUYNNGSSA-N 449.490 1.861 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1762775927 KCTKDQSZIOIAMC-YKHTYXQRSA-N 429.525 1.568 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1766670560 FGEDEQCNQHNCFX-NDEPHWFRSA-N 435.575 1.599 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCCOC)CC1 1767793806 IIEFFJCWCUJDQJ-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CCC2)C1 1767847148 GXHHMRXXXKQNEK-UHFFFAOYSA-N 430.534 1.373 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)cc1 1768744273 AHMQXWHCNUKPHQ-YLJYHZDGSA-N 442.520 1.315 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1770277474 BVWIRYXQOHAEOQ-AEFFLSMTSA-N 430.534 1.323 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1770754561 YCDYATMFDNDOGU-IGGDJGDASA-N 425.493 1.438 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N2CCCOCC2)cc1 1851612024 HPVPHSLLGJFSLV-OAQYLSRUSA-N 443.525 1.705 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NCC#CCN1CCOCC1 1851728979 TWHWIKWBTSJMOM-SFHVURJKSA-N 441.981 1.485 30 10 IDEE C=CCN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)[C@@H]1CCN(C)C1=O 1852560254 WXZYQZIEGVHQSJ-CZUORRHYSA-N 427.910 1.112 30 10 IDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1853758648 KHHMKZWTVSEXMW-ROUUACIJSA-N 436.578 1.191 30 10 IDEE COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854644727 LXNYALGVUDWGGQ-OAHLLOKOSA-N 427.482 1.558 30 10 IDEE CC[C@@H](C)CC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855844784 HBUCAUZGFNNRLP-AEFFLSMTSA-N 432.546 1.428 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2CC 1864319012 KZTITDHAEQBKCG-IBGZPJMESA-N 439.516 1.723 30 10 IDEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868794748 FZYIVQHWWHOSAS-RBUKOAKNSA-N 445.589 1.610 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCC)cn1CCCN1CCOCC1 1870531029 AMDPRPWVRAFAAS-UHFFFAOYSA-N 432.565 1.260 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870537812 QGJQZYVVTBGZLE-UHFFFAOYSA-N 428.489 1.020 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(NCCN3CCOCC3)ncnc21 1875227797 MEODPUDZWBOHBT-UHFFFAOYSA-N 430.553 1.596 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 1890228852 FYSPONDGDQMSRO-UHFFFAOYSA-N 429.561 1.966 30 10 IDEE COc1ccc(CN2C(=O)CCC[C@H]2C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1891214779 WCFNTQDFCSZBPM-FQEVSTJZSA-N 434.500 1.585 30 10 IDEE O=C(N[C@@H](CS(=O)(=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1892220426 DRTWNUUDGSYILT-FQEVSTJZSA-N 443.477 1.389 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 2020663586 ORESNYRNGNOEKU-HNNXBMFYSA-N 438.525 1.720 30 10 IDEE C=C(Br)CS(=O)(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2054372805 RQGBDMQOBKHPIT-UHFFFAOYSA-N 440.360 1.236 30 10 IDEE N#CC1CCN(S(=O)(=O)N=c2[nH]cc(Br)nc2Br)CC1 2164599255 RXEFTTCLTVNPOG-UHFFFAOYSA-N 425.106 1.316 30 10 IDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1 2211148934 NHULYLUDADJNRX-LVQVYYBASA-N 425.526 1.752 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1O 2224103392 URRYTVXJQSXURT-UAGQMJEPSA-N 433.358 1.879 30 10 IDEE Cc1cc(C#CCO)c(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s1 2229408125 NSTJAESMXBASNB-UHFFFAOYSA-N 432.523 1.458 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2248419635 DULDNZYAWINLAE-MNOVXSKESA-N 438.359 1.747 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248442067 PKAVYYHSHBIDOG-GFCCVEGCSA-N 436.343 1.504 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598663 YAALARBAVGMQAW-NWANDNLSSA-N 432.330 1.694 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 2255614245 IBVQGQAMTJKHDP-UHFFFAOYSA-N 434.346 1.989 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC12CC(NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255629448 VUOFYIUBTLGRSI-BJJGWYPJSA-N 432.330 1.885 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2255823492 VJHXGQRWRMUQFN-ZIAGYGMSSA-N 434.346 1.610 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256065180 WNTFCKBOVFERFT-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2256678968 IHEXCKNJXPKNFH-ARFHVFGLSA-N 436.314 1.141 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267003843 VMAAFDQKGDANRV-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 2267606237 VARLIHYREBMATP-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE C=CC[C@@](C)(NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)F 2270501755 XBVSOZTWIXVRBJ-KBXCAEBGSA-N 434.461 1.974 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2271684684 GKPSYFCAPPXYPY-UHFFFAOYSA-N 447.341 1.435 30 10 IDEE N#CCOc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2286055985 PTSMBRADNHZDBW-QGZVFWFLSA-N 433.442 1.710 30 10 IDEE CC(C)(C)OC(=O)N1CC(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)(S(C)(=O)=O)C1 2306842887 MHYOZMPRCCLMNT-UHFFFAOYSA-N 444.359 1.324 30 10 IDEE NCC#Cc1cc(Cl)sc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2320684487 RLPBUSKQTMMDNY-UHFFFAOYSA-N 437.930 1.427 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc([N+](=O)[O-])c1 2330718168 SUXGPGWCTOTFFI-UHFFFAOYSA-N 433.494 1.665 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)NCc3ccco3)n2N)cc1 20914203 SEWIKFANTNFORF-SSDVNMTOSA-N 443.489 1.616 30 10 IDEE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NS(C)(=O)=O)C1 59500634 DVBULDLQSKWNIY-BXUJETTOSA-N 425.511 1.563 30 10 IDEE C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 257454156 JIEVJXRUYDZFTD-ZPKOSZICSA-N 448.468 1.945 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC3(CCOCc4ccccc4)CC3)n2)cc1 434542646 BFTOIDIGGPYXTE-UHFFFAOYSA-N 444.495 2.392 30 10 IDEE CC[C@@H](CO)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 464768641 IDLILXMSLBKHAQ-OALUTQOASA-N 443.592 1.745 30 10 IDEE CCc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 468903036 KRSOORQRLVWEIC-UHFFFAOYSA-N 433.555 1.957 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 479048091 URCHGGDCFCADAT-QAPCUYQASA-N 437.479 1.509 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)NC4(C#N)CCCCC4)CC3)C2=O)n(C)n1 506599064 ZTBSFTNTZPVHNF-LJQANCHMSA-N 441.580 1.184 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 509013445 OZBJFODUDHBKKA-SFHVURJKSA-N 437.548 1.089 30 10 IDEE COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1OC 509292895 CLKFVUZHEJBGFC-SFHVURJKSA-N 425.441 1.726 30 10 IDEE N#CC1(c2ccc(C(=O)NC3CN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)cc2)CC1 537493116 ONCRVUCZJXHXNG-UHFFFAOYSA-N 439.493 1.816 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)n1 545504870 HGUODQHNERLDLM-HXUWFJFHSA-N 445.589 1.424 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1C(F)(F)F 548976951 KOJHYHGIDAUBJX-UHFFFAOYSA-N 437.465 1.766 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)C2)nc1 562866405 NZOFHBMRHPTUOL-VGOFRKELSA-N 445.479 1.409 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCOCC2)C1 578151269 ABCLGGKIIKFHNW-RTBURBONSA-N 428.533 1.901 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 603797244 AVWVXPDNWHSKHS-KRWDZBQOSA-N 427.526 1.125 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1C[C@H]1CCCO1 603923286 KURVLIKEQUAVIC-LLVKDONJSA-N 438.336 1.645 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccccc1C#N 609351107 LOBAKWDGBOFIKJ-UHFFFAOYSA-N 448.454 1.854 30 10 IDEE CC(C)c1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)cc1 727415576 WGJLZTMHGVRLNL-UHFFFAOYSA-N 449.532 1.977 30 10 IDEE C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)c2sccc2C#N)C1=O 731719832 QFZPNAXNZKFELG-HXUWFJFHSA-N 426.454 1.751 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 746447118 QOEHEFFZDULHAU-INIZCTEOSA-N 428.436 1.982 30 10 IDEE COC[C@@](C)(CO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 751542103 CHPPPHBTYUKDFO-YQPBSLOJSA-N 426.539 1.799 30 10 IDEE CC(C)(C)OC(=O)N1CCN2C(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C[C@H]2C1 760553778 ZJUULMBHIBDINI-GOSISDBHSA-N 441.536 1.390 30 10 IDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 762778008 HWPJAYOZRGIGMI-INIZCTEOSA-N 446.529 1.928 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CCOC 769870317 GFFFROMAUGREOX-UHFFFAOYSA-N 431.583 1.720 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)n(C)n1 770797635 ZSPJNLOPZDFZCV-ULQDDVLXSA-N 431.541 1.756 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC(=O)N2C)cc1 781595969 PXJPIBPRPQNPQZ-AUUYWEPGSA-N 431.445 1.730 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 782985057 FZNSWFHLOGNZAM-LBPRGKRZSA-N 427.408 1.304 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)N(C)C)cc1 785370051 RLUZXUOYASEOOM-MNDPQUGUSA-N 430.552 1.110 30 10 IDEE C[C@H](CC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)/N=C1/NS(=O)(=O)c2ccccc21 787689635 YAFBXMOXPSGMQB-IIEJZKKVSA-N 441.553 1.129 30 10 IDEE CCc1nc(C2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 791213645 RVYPTFCIRUSQAO-CYBMUJFWSA-N 430.534 1.590 30 10 IDEE C#CCN(C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[C@H]1CCS(=O)(=O)C1 793153148 FNNYKHLRTZFFGL-IPMKNSEASA-N 441.509 1.227 30 10 IDEE COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(F)cc1Cl 795829289 NCYMOPTVZISIIX-PFONDFGASA-N 431.829 1.070 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796624859 CVVRWZTUHOHVQP-FUHWJXTLSA-N 429.502 1.485 30 10 IDEE C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC(=O)N1C 800527245 MWLAZPRCBKGSGT-JOJWKMGHSA-N 435.550 1.974 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811457609 LTQRSHQDGULZLE-RHSMWYFYSA-N 436.534 1.598 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 813563253 SAYDKBBPPSGDNU-BBRMVZONSA-N 437.541 1.268 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nn1 1130122687 TYVPOTQGDYJFOU-UHFFFAOYSA-N 425.898 1.068 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1131841875 BDPAQFIDNQNEDO-RTBURBONSA-N 431.537 1.986 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)OC)c1 1136658299 UKBXYGHDHAVNGJ-GOSISDBHSA-N 429.494 1.951 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 1136684609 SFDTWUDANJPQBV-AWEZNQCLSA-N 437.338 1.620 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(S(N)(=O)=O)CC2)c1 1141878368 VDWPNJOIUKNTOW-HKWRFOASSA-N 428.536 1.039 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1 1142214384 BBWOGRCAHBRUON-UHFFFAOYSA-N 433.574 1.010 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 1142751558 OYSWDFOBSXXVGI-UHFFFAOYSA-N 435.546 1.732 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CCO2)C1 1160315561 MSODRCANOKOBHF-JOCHJYFZSA-N 428.489 1.526 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)cc1 1170592467 NPJYHHCIKCXULQ-CALCHBBNSA-N 433.530 1.822 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)nc1 1195779512 ZETNQGBEYGXUKC-RTWAWAEBSA-N 426.542 1.702 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 1195877191 SVVUTRNRUPISEF-AWEZNQCLSA-N 432.473 1.864 30 10 IDEE C=CCc1cc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc(OC)c1OC 1225350431 KINFCLVIIYGIMV-QHCPKHFHSA-N 433.549 1.847 30 10 IDEE C=CC(C)(C)CNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1251152352 FHJIWRGZGTWNQD-UHFFFAOYSA-N 437.566 1.146 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)n1 1251471722 HYMXDSJDBHQENZ-BATSVXPKSA-N 434.562 1.892 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C 1286273459 ITZQFWFBAWIRRO-PDSXEYIOSA-N 431.924 1.859 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1286302006 BGRQGMFEZLVVGI-BTYIYWSLSA-N 427.530 1.358 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286313499 AYQHSFZLKANQHF-HOTGVXAUSA-N 445.611 1.095 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286349971 RNUIQYGFTMANNL-QZTJIDSGSA-N 425.537 1.983 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286389965 UICLJYUAUIONRR-OFJJUDJNSA-N 447.586 1.186 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1286408570 DCPDMILSZZZJOY-SFHVURJKSA-N 443.548 1.964 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCOC)CC1 1286491764 AQTYNSUMZBUIES-UHFFFAOYSA-N 429.496 1.999 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1286714599 QTNGVXGCSOYPCU-KGLIPLIRSA-N 430.575 1.814 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@@H](C)C1 1286786919 LVQYBKMRPJAQKD-IYBDPMFKSA-N 435.532 1.977 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2nccs2)C1 1286789330 DCXIHVXKEQCOKL-INIZCTEOSA-N 442.549 1.476 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)CC[C@H]3C2)cc1 1286793699 JVMLJCMCUFPTRI-SFHVURJKSA-N 438.532 1.840 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](OC)C1 1286815305 QZDBDWSZVRGIDN-MRXNPFEDSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1286817474 TVYNIBOQJFZWPG-INIZCTEOSA-N 430.534 1.068 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1286905920 BMTFGJPNYPLKRB-INIZCTEOSA-N 431.447 1.303 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1286964720 DKKIIPKZOHCHCT-HNNXBMFYSA-N 429.525 1.712 30 10 IDEE CC(C)(C)OC(=O)N(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1287047529 FFIWFNPTLSVTMR-JKSUJKDBSA-N 445.524 1.357 30 10 IDEE Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cnn1CC(C)C 1289228044 FBQNQICUSPNRIG-CABCVRRESA-N 436.586 1.836 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1289350909 XEDIXARHJNBZPB-HYBUGGRVSA-N 448.479 1.934 30 10 IDEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1291045207 AGRDZTOQBXZFLG-WHSLLNHNSA-N 429.546 1.991 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)CC1CC1 1293104928 FVQXWMKAMNMOFX-UHFFFAOYSA-N 428.562 1.864 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccs2)C[C@H]1O 1299412131 CPDLPVYDPKQSOC-IAGOWNOFSA-N 438.513 1.876 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1300393154 SFLMUWDHCWECLV-HXUWFJFHSA-N 431.514 1.597 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1300483277 KGQHXAOQNNWBCH-AWEZNQCLSA-N 432.531 1.681 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300500518 AOTYCPAKDZDYDP-ROUUACIJSA-N 447.605 1.854 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1300527549 IXYUHIBPRIMWKG-DEOSSOPVSA-N 446.511 1.553 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(N(C)C)CCSC2)CC1 1301065432 FCBHBZWOLQNOKA-CRAIPNDOSA-N 428.628 1.482 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)C(C)C)CC1 1301086331 HYLUHIKGXTXGCV-GOSISDBHSA-N 440.614 1.498 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCC2)CC1 1301126509 VSORFXHSYSZVEO-KRWDZBQOSA-N 439.582 1.319 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1301478649 NJVCCMKVCZYDDI-SFHVURJKSA-N 439.564 1.855 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301497618 YWFQTYISPFQJHN-QGZVFWFLSA-N 448.531 1.395 30 10 IDEE CC(C)CC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1303007876 AJAJVOLCBCLHJU-YCRPNKLZSA-N 430.509 1.922 30 10 IDEE CNC(=O)CN1CCCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1303884522 FICZNRMIJQZBKE-UHFFFAOYSA-N 440.504 1.303 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 1312626930 QOVMRVTZGGPPJO-DOIPELPJSA-N 442.516 1.264 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)c1=O 1313846757 AOQRNJGPVRPLSU-UHFFFAOYSA-N 446.515 1.508 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1314490563 SRYQGYWWENGHNM-KRWDZBQOSA-N 433.534 1.779 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1358941585 PSHJWQKRTGJZMN-UHFFFAOYSA-N 429.424 1.097 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1358981433 JQIYDZIQWZIVGH-UHFFFAOYSA-N 428.496 1.687 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1N1CCOCC1 1359013409 XIYGRPZFXVDALO-UHFFFAOYSA-N 434.548 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccnc(OC(F)F)c2)CC1 1359047403 FOVKKVVNSCIYSM-UHFFFAOYSA-N 448.474 1.825 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCCNS(C)(=O)=O 1359067365 KSDQUUQBSGNSGG-OAQYLSRUSA-N 447.561 1.894 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359100977 ITNCKHQUPWCEQO-HQRMLTQVSA-N 426.521 1.196 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1359329733 SDQTTXGHOUPSEY-QGZVFWFLSA-N 438.513 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359334449 GEWJGPIWQORXGA-CQSZACIVSA-N 449.499 1.336 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1359396761 KHUGNMKJVUTWED-UHFFFAOYSA-N 431.456 1.910 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1360247515 ATLFGZCIUQOQAF-IEBWSBKVSA-N 425.537 1.666 30 10 IDEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1441773133 MRSKLMRGEZVVPP-KRWDZBQOSA-N 441.513 1.417 30 10 IDEE C#CC[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1451178827 KBTVFTPEXYXZFX-SJORKVTESA-N 432.473 1.694 30 10 IDEE C=CC[C@]1(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 1454606680 BNYXXGJQXWXDMI-JOCHJYFZSA-N 436.553 1.529 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)nn1 1457673542 BDCOSLHXEPFNPL-UHFFFAOYSA-N 425.898 1.273 30 10 IDEE CS(=O)(=O)C1(C(=O)Oc2ccc(C#N)cc2I)CCOCC1 1459655488 YYMGNEVXZANMRP-UHFFFAOYSA-N 435.239 1.662 30 10 IDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C1CCN(C)CC1 1462996640 HJJFVTBSEPEBSK-QHCPKHFHSA-N 426.517 1.327 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)C1 1469727896 CQVZCDISEPYYGK-YHEJKZAPSA-N 427.505 1.584 30 10 IDEE COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360066 BNDXDPMYMLEBTO-AWEZNQCLSA-N 449.305 1.595 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(Oc3ccccc3)c2)CC1 1477348775 CYMZILPXDJIZMF-UHFFFAOYSA-N 428.514 1.774 30 10 IDEE CCCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1479014045 WXWQLWFOVMNTPO-UHFFFAOYSA-N 446.595 1.320 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504585278 HZDZUXFPEIJTIN-RBUKOAKNSA-N 441.536 1.774 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1nccnc1C 1504995242 QJNJWXFDCPICMU-PKOBYXMFSA-N 440.552 1.520 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1505031575 ZWMCIZNWDNDHRB-NBCNXNJRSA-N 427.505 1.598 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(O)CC1 1507522192 UKLYEKLNWLPZLX-KRWDZBQOSA-N 445.589 1.653 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1507531275 CFSNVHUYXKWPCF-SJORKVTESA-N 443.577 1.345 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)CC 1507540796 GJPCRUPORJHPRP-HXUWFJFHSA-N 437.592 1.579 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507572040 VXYOKDRUUVXGKQ-IRXDYDNUSA-N 444.536 1.326 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@@H]1C 1507617519 VERAHGUXONFWND-ZWKOTPCHSA-N 448.568 1.377 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507628673 HXIDFAKRRLTXHS-INIZCTEOSA-N 446.577 1.215 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507642614 XKBRELWGSQBJIC-HSZRJFAPSA-N 436.516 1.793 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCCC2)nc1 1507702932 OTIJQUVPPDSEPC-UHFFFAOYSA-N 437.548 1.644 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC2)CC1 1507733993 DZKUDNCVSUFWJS-UHFFFAOYSA-N 441.557 1.724 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507738362 OBMLKMANZBNQLY-OAQYLSRUSA-N 442.608 1.868 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507917201 ZCPMTQKUEUHYFF-HOTGVXAUSA-N 444.623 1.796 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1)C1CC1 1507993087 NUNWPYNCHDMTGL-NVXWUHKLSA-N 441.623 1.909 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1508058115 SHVZALNISQXLAX-SFHVURJKSA-N 426.496 1.836 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1508077031 JPVUVQCUGYVCSC-HNNXBMFYSA-N 447.337 1.725 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1508079465 WVAJBJNCUPUYEC-UHFFFAOYSA-N 428.500 1.841 30 10 IDEE C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)N1CCCCC1 1509980802 CGLKONYYUQTQAA-FGTMMUONSA-N 436.582 1.173 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1512589028 YSIGDXKLCLUTBL-IQUTYRLHSA-N 448.321 1.976 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1Cc1ccc(C#N)o1 1513370806 JOOFJXKLFOTLHP-HZPDHXFCSA-N 428.449 1.824 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1 1515901359 DVGMGVPDJKBMMP-WOJBJXKFSA-N 431.562 1.901 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C#N)o1 1519319619 MKAZWVCJZOWKPR-NVXWUHKLSA-N 425.493 1.692 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)ccc2-n2cnnn2)n1 1524968292 ONZUGTZRZFZIOU-UHFFFAOYSA-N 444.293 1.543 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Br 1526641713 ULLSLGLCOPRTBT-INIZCTEOSA-N 429.292 1.116 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1539491008 KDAATKFMVGZRKC-MRXNPFEDSA-N 447.565 1.832 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1539616895 SJVWAQUZFBQDKE-XQQFMLRXSA-N 425.477 1.868 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1540152564 XLJBFTYKDLEQLU-ZPHPHTNESA-N 425.493 1.219 30 10 IDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1541627755 DDXANULOGBDRFM-UHFFFAOYSA-N 443.577 1.383 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 1546267713 CCEJYSLSDBCAPR-UHFFFAOYSA-N 427.511 1.778 30 10 IDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2COCCO2)cc1 1547980536 PLCWOCHCYZAGFJ-DBVUQKKJSA-N 443.504 1.961 30 10 IDEE CCCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(=O)NCCOC)C1 1548367994 DFQQYJFXETYEMW-QGZVFWFLSA-N 441.454 1.950 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1554165002 FKJNWSDQZNSOFU-KRWDZBQOSA-N 442.545 1.705 30 10 IDEE O=C(C[C@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1)NCc1ccc(F)cc1 1557192945 WGCLTXKABZTAQV-DUPNKOKHSA-N 442.491 1.987 30 10 IDEE C=CCc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(OC)c1 1558671878 RUSHZJKSMDAFNK-TZQQIIETSA-N 436.530 1.130 30 10 IDEE Cn1ccnc1[C@@](O)(CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1559033102 VZNDYRNKUMCLMZ-SFHVURJKSA-N 440.378 1.464 30 10 IDEE CC1(C)C(=O)N[C@H]1C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1559861235 CUUTUMCREBDMDY-XLIONFOSSA-N 429.590 1.694 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)nn1 1586901208 TXXNOEYNNLDKDM-AAEUAGOBSA-N 431.415 1.458 30 10 IDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(N)=O)C1 1587712034 KPDQBJKYPKRQCA-MRXNPFEDSA-N 443.577 1.662 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588024596 HMSHXUHZZIYGMK-IAGOWNOFSA-N 435.594 1.869 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1588214101 IEPNHXTXRXMOCS-UHFFFAOYSA-N 437.529 1.032 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589068679 CMYNHCRFJNEBSU-ROUUACIJSA-N 433.578 1.366 30 10 IDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1594546206 XLEAMJMFXPIPNX-MSOLQXFVSA-N 429.546 1.824 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595405083 BJNXZXPREJSIEM-IXDOHACOSA-N 446.552 1.735 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](OCCOC)C1 1595517143 QKWYYOWEUMURBG-QGZVFWFLSA-N 443.504 1.608 30 10 IDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1595938705 VEUFAVOZYSKLJV-SFHVURJKSA-N 429.498 1.935 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3Cc4nnc(C)n4C[C@H]3C(=O)N(C)C)n[nH]2)c1C 1606789591 ZOHYTMSVXUDNMH-KRWDZBQOSA-N 437.508 1.089 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1611817245 ZTXKRNKCZXDXOV-HZPDHXFCSA-N 448.549 1.640 30 10 IDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1615888619 GITJNHQVLHRJDK-OAQYLSRUSA-N 434.548 1.573 30 10 IDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1616956997 CLUHCGIYEXTWKI-YESZJQIVSA-N 428.352 1.443 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1637888163 QBQHJPQUUAMNOD-SOLBZPMBSA-N 428.489 1.255 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1638849105 VFECVGDOARNBQP-HNNXBMFYSA-N 445.453 1.878 30 10 IDEE COC(=O)C[C@@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCCOC1 1639043351 YMTNPGOXZJDIAD-IBGZPJMESA-N 436.306 1.985 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1639179971 ZVVSYLRHLIXTCK-HTZUNMPGSA-N 431.514 1.922 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c3ccncc3)n[nH]2)c1C 1648266323 IILKSXUURSWWTK-PMACEKPBSA-N 438.488 1.866 30 10 IDEE C=CC[C@H](CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1648743866 YGKRVHYKWPENOU-HNNXBMFYSA-N 429.564 1.206 30 10 IDEE N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1652834668 DTPUYEONLYNRQN-OALUTQOASA-N 433.505 1.880 30 10 IDEE COC(=O)c1cc(OC)ccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1662687108 DRHQNBNXRVSXDR-SWLSCSKDSA-N 439.490 1.519 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)cc1 1675944696 HBKVJFKOJUNFRR-UHFFFAOYSA-N 449.511 1.544 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1681943769 SOAPSQNUCWUCTN-WCXIOVBPSA-N 443.566 1.396 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)c1 1681996164 SDPVIXLXJQLKCT-UHFFFAOYSA-N 447.538 1.732 30 10 IDEE C=CCN1CCC(NC(=O)N2CCC(n3nncc3I)CC2)CC1 1684043053 SVHJYSIMGUFYNA-UHFFFAOYSA-N 444.321 1.880 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)C2)nc1 1685717748 OXSNARCQONWSIR-KRWDZBQOSA-N 429.502 1.396 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689991840 DITAUWXXCRENFI-GOSISDBHSA-N 437.610 1.214 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1 1691015775 GAXBHVBPIUYEIM-UONOGXRCSA-N 428.522 1.251 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2c2cnn(C)c2)CCOC1 1696030685 RZDJWSMQHYHXQI-JBYIUTFZSA-N 442.568 1.929 30 10 IDEE CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1696602804 HKWDEWCOMSLDIA-UXHICEINSA-N 444.540 1.805 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1697499154 UHUKCUJNZKUHFV-MJGOQNOKSA-N 440.504 1.339 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1705477775 RTAIKVSKTWVTNY-UONOGXRCSA-N 449.524 1.177 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705525884 YAIFBOLLEYHXOR-MRXNPFEDSA-N 449.353 1.801 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cccc(Cl)c2n1C 1705551229 JSOKVGLSYZQEHK-CYBMUJFWSA-N 432.937 1.838 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1705571371 YLYOLUINBYLWRZ-OAHLLOKOSA-N 438.500 1.810 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCN(C)C(=O)C1 1705896719 VZZJKQWCDZNPPW-UHFFFAOYSA-N 428.562 1.856 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(=O)OC)C1 1705907792 XPNBOTSMVLUJJK-GOSISDBHSA-N 436.516 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705938385 XBAIKYCRGWWFTH-MJGOQNOKSA-N 434.562 1.708 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1706074735 CXTFNFCQPCEZNY-IXDOHACOSA-N 447.565 1.177 30 10 IDEE CC1(C)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706945790 FIYFVYCSTMIMRW-HMWBCQRISA-N 427.509 1.382 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N(C)C 1711073753 GXVISKGZAACLRS-UHFFFAOYSA-N 439.545 1.663 30 10 IDEE CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1711394174 YAHMZQNWAQCSOB-HXUWFJFHSA-N 449.559 1.981 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)OC 1712152144 ABIZUFJUZXSMFJ-UTKZUKDTSA-N 426.477 1.509 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1712686071 DKLYZGBORJULQR-MJGOQNOKSA-N 445.545 1.895 30 10 IDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCOCCS(C)(=O)=O 1722343994 RRBQLOPVSUGSHO-UHFFFAOYSA-N 427.530 1.932 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722361614 IDENVBDOKLOXGN-SJLPKXTDSA-N 430.530 1.617 30 10 IDEE C=C(C)COCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722537480 BIHRTLPHOMYQFP-HSZRJFAPSA-N 447.580 1.972 30 10 IDEE C=CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722607088 MEHBDYJVHQUSKE-OAHLLOKOSA-N 446.458 1.660 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722699561 JYFVIPTVNGJZKY-FUHWJXTLSA-N 426.496 1.367 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1723911966 QFKPDYWYVOTOBK-MAUKXSAKSA-N 430.534 1.741 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCO1 1726722283 GAAGMBJDBKZXBE-GOSISDBHSA-N 440.548 1.801 30 10 IDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)cn1 1729571181 VFUAVZURSUOMDV-SFHVURJKSA-N 446.581 1.070 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1730724857 DGLGOUNZYNDYOP-QFIPXVFZSA-N 425.537 1.487 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1740608303 NWYLPRFGOCJOFZ-CQSZACIVSA-N 440.495 1.843 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740620640 GBMVEWJWTWETGZ-INIZCTEOSA-N 447.536 1.626 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1740672059 WCZJZEQFQPJQLC-SFHVURJKSA-N 435.525 1.452 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740716749 YKMYPIBURRHMPM-MSOLQXFVSA-N 442.593 1.721 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740751226 ICCSDIAJGXFINH-BXWFABGCSA-N 432.569 1.845 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@@H]1CCCO1 1740752269 VCOFVTRWMQHWKZ-MHORFTMASA-N 441.598 1.875 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)CC1 1740839363 ITBVBZUUQKDWSB-KRWDZBQOSA-N 425.624 1.631 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1740956277 NZSGODMAHJWVPL-UHFFFAOYSA-N 442.545 1.626 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cnccn2)CC1 1740956686 XZHVDWLBJSBEML-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1740960160 MCYQCFXQXTWQGN-KRWDZBQOSA-N 426.521 1.776 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC(N)=O 1740988582 JONHVOXFWREPQS-CYBMUJFWSA-N 425.942 1.899 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740992623 SAEFECNCXUNIQD-MSOLQXFVSA-N 434.566 1.729 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1741119906 DDSFQBKJIMYIHO-HXUWFJFHSA-N 441.511 1.993 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1741803003 NHDFTAXAELKLNC-HZPDHXFCSA-N 425.555 1.504 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@@H]2CCOC2)cn1 1741804401 BQYXDCOUUGDBRN-IAGOWNOFSA-N 426.525 1.539 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1745780085 HRIWBKVEGLLKHQ-FQEVSTJZSA-N 448.524 1.707 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1748188267 AHALKBIDYRRDEC-SFHVURJKSA-N 426.521 1.854 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CCO1 1748223556 QXMULRGFSFGXSQ-RTBURBONSA-N 438.488 1.025 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1748732308 YDIHFYYDPOJDLI-QGZVFWFLSA-N 446.577 1.993 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748812408 VFQYSAYBTCEKEJ-GOSISDBHSA-N 443.577 1.236 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@H](O)C1 1748882760 FEPLGLXDTXZWDY-QHCPKHFHSA-N 443.555 1.756 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](OC)C1 1749083070 BVLOWQZCYBONTN-WCFLWFBJSA-N 436.376 1.658 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1749141186 XCVGXIUGIIFZGX-NPPFBWRTSA-N 449.552 1.800 30 10 IDEE C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C(=O)NC)C1 1749281450 CPGYJHICGYNFSX-QGZVFWFLSA-N 435.912 1.960 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749663905 SZWMSVKWLFKLJU-UHFFFAOYSA-N 433.472 1.308 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1749666379 LBYRQPFDMAKMIT-IXDOHACOSA-N 430.553 1.705 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1750345332 IQIDCOZLJHSDRN-RJNPEMNYSA-N 425.468 1.585 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC(F)(F)F)cc1 1750382449 GWIKGNINSLSKBC-UHFFFAOYSA-N 429.424 1.978 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCNS(=O)(=O)c1ccccc1 1750909522 HHQFRLHEYPMXSK-OAHLLOKOSA-N 433.538 1.133 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1752313374 ZFOFUHJEUDMGGM-APFMSCDFSA-N 433.472 1.568 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCCC)c1 1760163378 UJULVUITJJNXPM-HNNXBMFYSA-N 432.550 1.146 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760180913 MZBSOSBEMMOFAC-XJKSGUPXSA-N 436.456 1.119 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1760185886 GJTZLYJORMXYCO-IRXDYDNUSA-N 442.607 1.243 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760189044 NAFHBJWANLOQKX-KRWDZBQOSA-N 444.561 1.272 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@H](C)CCC 1760219585 ILINRUIOWLCJEO-MSOLQXFVSA-N 433.578 1.196 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccn2)CCC1 1760249091 HOVQPSLWSNGQDC-GOSISDBHSA-N 443.573 1.783 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1760853185 GOJCHZMLTOCAQY-HNNXBMFYSA-N 432.550 1.859 30 10 IDEE C[C@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1)C(F)(F)F 1761452763 BRTURNRIZSBBLW-ZDUSSCGKSA-N 446.441 1.461 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1764077203 BJKOWVIXLJBSCR-CQSZACIVSA-N 434.522 1.333 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1768540242 QTAIJXYWSBTQDO-DSGGYQJVSA-N 438.488 1.705 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)CC2)n1 1769006435 ZRIKXWWUQABDIK-UHFFFAOYSA-N 447.503 1.030 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1772887400 OQEZDPAJUMPYBI-UHFFFAOYSA-N 444.561 1.763 30 10 IDEE CCOc1ccccc1N1CCN(C(=O)CNC(=O)c2cnc3c(c2)c(C#N)cn3C)CC1 1851251518 FGJHMXGWGGFIAH-UHFFFAOYSA-N 446.511 1.922 30 10 IDEE CN1CCC(NC(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851364028 NANFZKRMMPKQIP-OAQYLSRUSA-N 426.542 1.658 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N=c3ccnc(N4CCN(C)CC4)[nH]3)n[nH]2)c1C 1853331677 LGICXEOZXSJOAS-UHFFFAOYSA-N 435.536 1.682 30 10 IDEE CN1C[C@@H](CO[C@@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)OCC1=O 1853360573 DGXUNEYJCSIYFK-OALUTQOASA-N 444.509 1.653 30 10 IDEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N=c2nn[nH][nH]2)sc2c1CCC2 1858839218 ZPWFXUJOBIMKSN-UHFFFAOYSA-N 425.434 1.100 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)OCCOCCN2C(=O)c3ccccc3C2=O)cc1 1860406134 LHDZGLPZPITRSQ-UHFFFAOYSA-N 432.454 1.663 30 10 IDEE CC(=O)NCCC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1cccc(C#N)c1 1866803346 SPXULYFRMQCOLJ-NRFANRHFSA-N 436.468 1.676 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)C3=Cc4ccccc4OC3)cc2C1=O 1870161695 DQBPXXNJNFDHJE-UHFFFAOYSA-N 426.392 1.779 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCCCO)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871508937 HHQRHYYSZVRBHO-UHFFFAOYSA-N 447.565 1.437 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N(CC)CCO)ncnc21 1873670494 ZVWOUGWXVOJVSH-UHFFFAOYSA-N 448.483 1.914 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)CC1 1890178391 WYZLCFUPWFRAST-UHFFFAOYSA-N 441.572 1.995 30 10 IDEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891421255 VIBREJLTHUIROB-IBGZPJMESA-N 436.534 1.599 30 10 IDEE C=CCN(CC(=C)Br)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2060510469 MGCUBMJNVPVGEU-MRXNPFEDSA-N 437.356 1.992 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141675307 QNOJDHWUQUOVLQ-JOCHJYFZSA-N 447.341 1.939 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(F)c(C#CCO)c1 2145935691 BNYUNLPWWBMFPC-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c(N)c1 2162580757 OYUBWWVOJCRIOV-KRWDZBQOSA-N 430.486 1.456 30 10 IDEE C#CCCN(C1CCOCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2164496416 KIBUOSCTOMRGHE-OAQYLSRUSA-N 436.505 1.845 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2184059553 NFRRMTNIUNIEQZ-RRFJBIMHSA-N 440.294 1.990 30 10 IDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405868 UGDLYIUZORPREN-NSHDSACASA-N 438.359 1.843 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2251463268 YLIBXFYUGKRAMA-NSHDSACASA-N 429.333 1.963 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542719 WMFLJORVBBADRP-YEJXKQKISA-N 432.330 1.459 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2255635314 XYFNCBHGNPCYMU-KBPBESRZSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256622075 BWLNBSHGRLGXGL-GJZGRUSLSA-N 433.314 1.859 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCCN2C(=O)OC(C)(C)C)n1 2267112484 HIPRTYRIZHEBLN-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE Cn1nc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)cc1B1OC(C)(C)C(C)(C)O1 2267129437 AVNGSIFHTAQEGX-RYUDHWBXSA-N 442.247 1.097 30 10 IDEE COC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267261328 TZMXQKYNOYPHQB-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2267276013 WODNBZGYHVOPGA-OAHLLOKOSA-N 447.341 1.435 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCc2scc(C#CCCO)c2C1 2361642185 UYAOJYWGPRAZIC-UHFFFAOYSA-N 444.534 1.466 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1S[C@@H]1N=C2[C@@H](N1)C(=O)N(C)C(=O)N2C 20220058 ULNSBGAHVYGIEF-PBHICJAKSA-N 427.490 1.313 30 10 IDEE C=CCOC[C@H](O)CN(CCOC)Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1 36207185 DQRILHVRCNYJEM-CQSZACIVSA-N 439.534 1.482 30 10 IDEE CC1(C)O[C@H]2[C@H](O)C[C@](OCc3ccc(C#N)cc3)(C(=O)NC[C@H]3CCCO3)C[C@H]2O1 37403627 YNNXMBUNACERDM-ISKJSYKVSA-N 430.501 1.784 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 109886757 IVXUQKJTFJPPEE-MOPGFXCFSA-N 448.508 1.518 30 10 IDEE CC(C)OC[C@@H](O)Cn1c(NN=C/C=C/c2ccccc2)nc2c1c(=O)nc(O)n2C 254500603 XUOAWTHXVZNDPI-QHBIWZIDSA-N 426.477 1.733 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 443337625 VDTSVXJGHDUSAD-UHYCVJNDSA-N 440.500 1.086 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](CC(F)(F)F)C2)CC1 444705215 MEWIHDMCODMEJC-OAHLLOKOSA-N 444.479 1.665 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 475661092 KERHUPRHAPAAJQ-JOCHJYFZSA-N 440.500 1.544 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 508511533 UYIAEBKQEZUXLR-MRXNPFEDSA-N 427.534 1.866 30 10 IDEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508850016 SXSCJUYTLDNXMA-UHFFFAOYSA-N 426.521 1.121 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508897870 ZJBSQTOHYPGSJR-OAHLLOKOSA-N 438.598 1.740 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 511360818 PHIBRSAXPFVJGD-CYBMUJFWSA-N 425.454 1.669 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 522109355 LUNWBBYAGCONMB-QGZVFWFLSA-N 439.493 1.869 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1Cc1ccon1 532194472 ZJDNTAXGLQLGBZ-UHFFFAOYSA-N 435.461 1.547 30 10 IDEE COC(=O)c1cncc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 537379332 JDNKTRPPNNHZHY-UHFFFAOYSA-N 429.458 1.278 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC2)n1 546199449 RMJRGYVTQXFRND-UHFFFAOYSA-N 425.923 1.295 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 555252112 HQVULLFBBNNBSU-ZWKOTPCHSA-N 434.566 1.475 30 10 IDEE CON[N+](=O)CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 585088965 QYYYIHRLCWKSAG-OXJNMPFZSA-N 433.510 1.760 30 10 IDEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 611285230 DOPZPWLDLHLQLS-LJQANCHMSA-N 433.940 1.869 30 10 IDEE Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)nnn1-c1cccc2c1CCN(C)C2 611406235 CARCWNALQCJOLE-UHFFFAOYSA-N 433.520 1.445 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669818349 IMWUASRONBLXJE-UHFFFAOYSA-N 428.541 1.816 30 10 IDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2-c2ccccc2C)CC1 727415067 HSMLPDZNVCPASY-UHFFFAOYSA-N 448.548 1.468 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cn1 730145027 UZTJTORWDHNLDC-JKSUJKDBSA-N 435.550 1.269 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 746232725 GAMOVLFNYSAHBE-DQRAZIAOSA-N 445.951 1.885 30 10 IDEE COc1ccccc1N1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 747434049 DWDIHBRJZRPSCH-UHFFFAOYSA-N 442.541 1.909 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ccc(Br)n2)CC1 769278927 YIQBWVLTPTVTAR-UHFFFAOYSA-N 438.307 1.050 30 10 IDEE Cn1cc(N2CC[C@@H](ON=C(N)c3ccc(CNC(=O)OC(C)(C)C)cc3)C2=O)cn1 769841822 JRXPZVDXWQHOFA-QGZVFWFLSA-N 428.493 1.887 30 10 IDEE C#CCN(C(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 774156176 ZOPZMKKHOFEGGD-IBGZPJMESA-N 447.557 1.522 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774201549 RASIPKJRFBVCFT-NVXWUHKLSA-N 440.363 1.860 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 776511546 DFUWOJDETCWLTE-NHYXNVPJSA-N 435.525 1.990 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cnn(CC2CC2)c1 781732865 LCLKQWYHJPZKKL-UHFFFAOYSA-N 427.490 1.262 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(Br)cc3)n(C)c2=O)cn1 788523924 QWYIUWMBTDCQSX-UHFFFAOYSA-N 441.310 1.892 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 804457267 RDZZVYMNDYHHQT-QZTJIDSGSA-N 425.510 1.438 30 10 IDEE O=C(O)CCNS(=O)(=O)c1cccc(C(=O)/C=C\c2cnn(-c3ccccc3)n2)c1 916549313 LCJBIUHCIZTUCK-KTKRTIGZSA-N 426.454 1.916 30 10 IDEE N#C[C@H](C(=O)c1ccc(-n2cncn2)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917010525 DQDSPLHWQTXVCT-HXUWFJFHSA-N 445.439 1.847 30 10 IDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCC(=O)NCC(=O)N1CCCC1 925051098 VZQKWRFDOMEJOC-UHFFFAOYSA-N 446.407 1.052 30 10 IDEE C#CCN(CC(=O)N1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1)C(=O)OC(C)(C)C 1141677388 RZBZUKJAUAMZSE-QGZVFWFLSA-N 430.505 1.681 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@H]2C)cc1 1155799441 HMPSMMCODORRKL-CQSZACIVSA-N 432.502 1.569 30 10 IDEE Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157886059 YABYGEUGSIQLRU-HZUJVAHNSA-N 433.530 1.958 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1167275687 QAHVWDXMVRKKKP-APWZRJJASA-N 442.541 1.624 30 10 IDEE C#CCC1(O)CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 1175854745 WDSYIDTYMOBMAJ-UHFFFAOYSA-N 446.573 1.616 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1233838687 MGVKKPADSAHABV-XMDUPGNXSA-N 426.539 1.402 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1286339213 KAXJBFBGLAEQGN-GOSISDBHSA-N 445.589 1.919 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCCC)CC1 1286474278 GSAFXEBOKRYUPT-UHFFFAOYSA-N 430.940 1.889 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCN1CCCS1(=O)=O 1286517336 FTRVQRQITNMQOA-OAQYLSRUSA-N 429.546 1.981 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1286758729 VCSUADNZGRFLLD-CVEARBPZSA-N 428.580 1.326 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](COc2ccccc2)C1 1286784972 ABWDJENEHDSYNH-IBGZPJMESA-N 436.516 1.870 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1286786324 QYDRSWRZVMRMKU-SCLBCKFNSA-N 444.458 1.061 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)cc1 1286797627 XWBCUKNIWLPPCZ-QGZVFWFLSA-N 433.534 1.323 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1286949138 DCPHLNUBPKLERY-UHFFFAOYSA-N 443.462 1.836 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1286968692 AXQZSBFIQYCTMI-QGZVFWFLSA-N 441.561 1.912 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNc1ccccn1 1288825457 FGZOXVZXRAUNRS-RDTXWAMCSA-N 436.517 1.227 30 10 IDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2)CC1 1289683058 HEOZFZMWJSUGLB-UHFFFAOYSA-N 429.502 1.958 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1296329483 JHOSXKRAAJQAQC-LJQANCHMSA-N 442.545 1.681 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC=CO1 1298781490 CNBIBWWFDCIEAX-GOSISDBHSA-N 431.518 1.902 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300501720 NDKTURSHKZMFKP-SFHVURJKSA-N 429.546 1.196 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](F)COC 1300510966 BLBTWIMBGHFJJF-QGZVFWFLSA-N 433.509 1.253 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1300621885 QHLSSJLUOYKHKB-TZIWHRDSSA-N 435.576 1.899 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1300939245 ITEIYNJECPJOMJ-GFCCVEGCSA-N 449.460 1.833 30 10 IDEE C=CCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301474310 YSVIAELMMKZBAZ-HSZRJFAPSA-N 446.596 1.639 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1301497754 COJHEDHIVRUFEM-UHFFFAOYSA-N 429.569 1.029 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1301586386 SBMMMMVDKQXELH-SFHVURJKSA-N 436.469 1.049 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOC[C@H]1C 1301593552 PHODDDIMOFIVGL-MRXNPFEDSA-N 436.534 1.692 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1303635831 JGPHWDKGZPICNT-JLCFBVMHSA-N 434.504 1.409 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CCN1CCOC 1306455810 SXCGWZNQYYWGJI-LJQANCHMSA-N 440.548 1.801 30 10 IDEE CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1313380100 IBWZMJCIEIYHJW-QGZVFWFLSA-N 427.505 1.920 30 10 IDEE C#CCN(C(=O)NCCNC(=O)c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1323415396 DYEOLSJTKQPABZ-CYBMUJFWSA-N 431.436 1.267 30 10 IDEE CCOC(=O)c1cnn(C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1C 1341223016 QIZAHJMCZAAZHG-FMQUCBEESA-N 429.477 1.448 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC=CCO2)n1 1359028320 OARPMIBERCRRHB-QUCCMNQESA-N 426.521 1.610 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N(C)C)CC1 1359046272 LDODEEKEGYEBMU-UHFFFAOYSA-N 443.577 1.078 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCO)c(OC)c1 1359063199 KDPXSRZOWCQKIB-HSZRJFAPSA-N 441.532 1.836 30 10 IDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1359166968 ONGJMNMLAYVJDL-UHFFFAOYSA-N 443.533 1.528 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1359182408 FQIPCJJHEDVFQQ-UHFFFAOYSA-N 432.569 1.848 30 10 IDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359219426 QEXCUCRILAAQOQ-HUUCEWRRSA-N 433.534 1.596 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359300125 UOUPRBALXBNGDP-QZTJIDSGSA-N 432.569 1.811 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1359304806 KDGXUUJWWWETRO-QGZVFWFLSA-N 446.939 1.334 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359331390 XBIPPYONKXZDET-IAGOWNOFSA-N 435.550 1.489 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1Cc1nncn1C 1360222188 LSJUFPKQEWSCTL-IBGZPJMESA-N 447.547 1.924 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1360472193 YBPMPWLUUYQZPD-HIFRSBDPSA-N 439.476 1.443 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(COc3ccc(F)cc3)cc2)C1=O 1437089045 GGBKSTRSMYJTKK-UHFFFAOYSA-N 425.416 1.998 30 10 IDEE C[C@@H](C#N)N(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C1CC1 1437467159 FOEICOJVTWESKV-HNNXBMFYSA-N 445.545 1.430 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)CC1 1467784351 WNNVUOMZMFVMOD-INIZCTEOSA-N 438.550 1.340 30 10 IDEE Cn1ccn2c(CCNC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)nnc2c1=O 1471365944 DPTVWOBMXBZDQT-UHFFFAOYSA-N 439.451 1.234 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)C1 1475667507 MCWDSEDJIGGJGM-LFVRLGFBSA-N 434.381 1.838 30 10 IDEE CCOC1CC(O)(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1502961569 COHWPMWUYLJYLW-LVIWNVNYSA-N 427.505 1.824 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1OC 1504204153 YGZVXLCMBWYWFD-IAGOWNOFSA-N 429.477 1.497 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C[C@H]21 1505086175 GRQFBPSPPINQEA-GVDBMIGSSA-N 430.459 1.917 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC2)CC1 1507735882 JEUYBOVSONBRHV-FDDCHVKYSA-N 445.564 1.321 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1507820912 PNUMGNUDOCTVKG-HZPDHXFCSA-N 430.596 1.550 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1508151018 JIBHSQYSKQVHQF-OAHLLOKOSA-N 439.549 1.507 30 10 IDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)CC2(C#N)CCOCC2)c1 1520758336 XMQDIJQXTKIJAK-UHFFFAOYSA-N 444.351 1.863 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H]1c1nccn1C 1527690668 FJWDVBVLGAOGQO-PMACEKPBSA-N 440.479 1.068 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 1534774981 YGDMPFNAEBTWCU-UHFFFAOYSA-N 447.542 1.332 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1539072739 VNEHGYUYGXVQRF-ROUUACIJSA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC1(O)CCOCC1 1539145576 NRHARGGDXXELBE-UHFFFAOYSA-N 431.924 1.863 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539210285 BBUPPUXKSMAULS-SFHVURJKSA-N 442.545 1.840 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539223042 YVFDJISUCOZRJR-OALUTQOASA-N 444.557 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)N(C)C)CC1 1539445778 FUHZOXFWDVSLFM-UHFFFAOYSA-N 441.561 1.073 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539592273 AGGWCVQDRFMOSL-UHFFFAOYSA-N 447.341 1.982 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539793503 GRIXPECMRKQEHG-UHFFFAOYSA-N 425.946 1.738 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540026864 KZTIOGXBIGQOKG-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1540859783 HMGOHHAITWJDEV-RTBURBONSA-N 443.596 1.403 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](NC(C)=O)C1 1540873517 ASHHKGXTLRWMRB-SFHVURJKSA-N 426.521 1.307 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C1CCN(CCC)CC1 1540901403 CBTBXYAHZVAJPA-UHFFFAOYSA-N 433.582 1.647 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540902155 BSWMUUVQZZMGQR-LJQANCHMSA-N 448.593 1.865 30 10 IDEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540919980 KNTLRBXFPYFPGX-MRXNPFEDSA-N 444.561 1.999 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1541112921 MWVBFMPEKLQTPR-OAHLLOKOSA-N 429.525 1.712 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 1545647354 LNOIQCUFLXIYIA-HLAUDOPJSA-N 441.406 1.769 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)c1 1559038775 WOCDJGIDAJVNHA-LJQANCHMSA-N 447.538 1.225 30 10 IDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC#Cc1ccc(OC(F)(F)F)cc1 1560036074 QGRCXEFRIQXOBY-ZFWWWQNUSA-N 425.363 1.104 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)COc2ccc(C#N)c(Br)c2)cn1 1569043848 KYEADHKVPSRLQG-HNNXBMFYSA-N 446.305 1.854 30 10 IDEE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCCN(O)C1=O 1569676168 OIXACIVHBHIZDT-CHWSQXEVSA-N 429.260 1.695 30 10 IDEE COC(=O)[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccccc1Br 1584136965 DMOHPIHMIXJCKF-DZHJMQLISA-N 436.262 1.696 30 10 IDEE Cn1cc(N2C[C@@H](C(=O)Nc3ccc(C#N)cc3I)CC2=O)cn1 1584667599 XAWOFTUUELLOMP-NSHDSACASA-N 435.225 1.888 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(O)CCO[C@@H]2C)c1 1587697067 JASMZZOZTQYHDB-OPAMFIHVSA-N 427.505 1.411 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1587847213 FORHOWDCIDWGIG-UHFFFAOYSA-N 449.515 1.076 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588210967 QNQQPNCMCFIDFD-KRWDZBQOSA-N 429.521 1.829 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2OCC[C@H]2C)n1 1588723199 KBOBBIPEGZRNDH-NZSAHSFTSA-N 441.536 1.137 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589089319 PZMRHCDJXLTEBA-IBGZPJMESA-N 440.573 1.458 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1593730210 UQWUQNGPWMJAOJ-UHFFFAOYSA-N 436.582 1.642 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCN(CC)CC2)CC1 1594013606 ITLYSNFBSHPCRV-ZWKOTPCHSA-N 439.630 1.071 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1594498362 UFLDGUHKTMWVLX-ROUUACIJSA-N 448.593 1.884 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1595544869 NIIFWJLRCCBMRY-MRXNPFEDSA-N 444.561 1.417 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1595577155 KDIYFZUBJMPBLM-ARFHVFGLSA-N 444.561 1.291 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)c2ccccc2)C1 1595664821 KPKPLHHTAKTGQU-QGZVFWFLSA-N 447.561 1.672 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)OC(C)(C)C1 1595754670 PXPYTGIPECHVLF-HNNXBMFYSA-N 425.555 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)nnc1C(C)(C)C 1595831535 RSNLOKDCHRAGHY-FTRWYGJKSA-N 426.583 1.949 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1ccco1 1602848550 CEKWXDHHVPYZKN-MRXNPFEDSA-N 449.519 1.801 30 10 IDEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOCCN(C)C)o1 1612033626 CQUVVQVMKAQPSE-UHFFFAOYSA-N 437.504 1.960 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cs1 1612412261 MHXQWOIYHSOHDY-HOCLYGCPSA-N 436.563 1.187 30 10 IDEE CC(C)CN(C[C@H](O)COc1ccccc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1616229857 AMVMBKTYRRLJRL-KRWDZBQOSA-N 429.521 1.961 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1618181942 VIUSTWQEIQVJDT-GOSISDBHSA-N 444.582 1.804 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1620158810 HHTKEJSQVKOXBU-OALUTQOASA-N 443.529 1.697 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C3=NCC(C)(C)S3)CC2)s1 1623124521 RAPVQIVWHKVEQB-UHFFFAOYSA-N 442.632 1.781 30 10 IDEE C=CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCS(=O)(=O)C1 1625390251 UPQFZLZNWUWHEC-GWWPLSDWSA-N 437.562 1.975 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1625673690 CUGMEDKYNUAJCN-CQSZACIVSA-N 428.367 1.562 30 10 IDEE Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1627136724 NIVQSIWFFCDMQC-QFBILLFUSA-N 429.458 1.158 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 1630501659 UUMXEPQPDNRKCA-RTBURBONSA-N 432.546 1.252 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(N4CCNC4=O)CC3)C2)C1 1630696365 YNEZREKQLASSCF-JXORXQGFSA-N 431.537 1.789 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1632066687 AFGFRVPYYQQYGL-IRXDYDNUSA-N 448.907 1.727 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1OC 1634339722 MHAFNJSUBSKNQV-OAQYLSRUSA-N 429.498 1.550 30 10 IDEE CN(C)c1nc(N)nc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1636464469 ZPXRDERCXYSWTD-PHDIDXHHSA-N 434.291 1.763 30 10 IDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@H](O)c1cccc(C#N)c1 1643725691 JSNKFQZYIRRMDN-QRWLVFNGSA-N 430.530 1.801 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)cc1 1643800261 OIMJPHOVXCXURQ-UHFFFAOYSA-N 441.435 1.705 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1644587347 JKNBBKYJOQDMOT-OALUTQOASA-N 444.532 1.813 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCc2c(sc(N)c2C#N)C1 1646255228 KBRMITYWYBNOJD-HNNXBMFYSA-N 447.561 1.992 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1660647842 VBNCIMYBAWJXRI-GDBMZVCRSA-N 436.477 1.773 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C(C)(C)C 1666432495 VLHGPRILWRXJLZ-GOEBONIOSA-N 427.548 1.321 30 10 IDEE COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672353746 RXHGPXIDJLURBG-OAQYLSRUSA-N 427.549 1.659 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1)C1CCOCC1 1684188737 VYHXYVQTJBWCCA-VQTJNVASSA-N 431.558 1.981 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1684753612 RQLNNVOPTYPIFL-LJQANCHMSA-N 425.533 1.972 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1689893530 ZRGWNVRQVNAYFM-HNNXBMFYSA-N 431.509 1.650 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1689937277 UYCLFFKAIMGKJS-UHFFFAOYSA-N 436.582 1.064 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689941282 LMSOLDCCETYFKD-VGSWGCGISA-N 444.536 1.205 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1690019638 NSKKMMHBTLEEIR-GOSISDBHSA-N 447.948 1.386 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690246417 UHOMDHOVVGMTOU-OCABDXPQSA-N 439.582 1.468 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CCO1 1690962229 OQQFPHOPSKQZJH-HXUWFJFHSA-N 438.463 1.862 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)cs2)C[C@H]1O 1697065861 QESCDGVLZUODDB-IAGOWNOFSA-N 438.513 1.990 30 10 IDEE C#CCCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705521538 DRAZIIADFIRTKX-UHFFFAOYSA-N 449.581 1.171 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1705560730 MWZVJFNOLIWGQT-IAGOWNOFSA-N 436.578 1.746 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1705587021 FJNPLIJNHFECIT-STSQHVNTSA-N 443.548 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(COC)n1 1705589340 PHLZLQCELGPPDI-CQSZACIVSA-N 436.563 1.002 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705641295 ZDTXUBWTJBMVHL-UHFFFAOYSA-N 448.618 1.214 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1705641977 AWVBCGKULHRCJZ-UHFFFAOYSA-N 433.516 1.010 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1705786297 KVAAZKFPRHEMIS-LIRRHRJNSA-N 426.587 1.453 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)F)CC1 1705905974 MZMCVZMXODKFRA-UHFFFAOYSA-N 425.509 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 1705932092 KUNLJNONUMEQND-QGZVFWFLSA-N 432.550 1.589 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1705934541 OYFYDYVFBMTSQG-HNNXBMFYSA-N 444.561 1.846 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705945774 RMSLCWRKDMTABS-IRXDYDNUSA-N 441.623 1.706 30 10 IDEE Cc1noc(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1707934002 HNFZPWWPSMWBPH-UHFFFAOYSA-N 435.488 1.917 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1712699968 OQBJPKABRKSQHF-UHFFFAOYSA-N 440.533 1.301 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722320039 ROYPAYLPXCAIMO-WOJBJXKFSA-N 428.581 1.718 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(N)=O)cc1 1722369968 DGWCDYQFWUAHQV-UHFFFAOYSA-N 428.456 1.537 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1722373947 OMZHTCVJXCOJCK-SFHVURJKSA-N 439.491 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722440406 FWHNMHFTCMKNQN-RTBURBONSA-N 442.564 1.363 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722452333 DXBFQCLLCJNNOH-UHFFFAOYSA-N 432.594 1.622 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722556344 QHLSLWSLHUPUFV-OAGGEKHMSA-N 444.989 1.036 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722588690 XPDUJDJIUZFUMW-ZWKOTPCHSA-N 439.626 1.939 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722608713 KVFAZAKOSNWWQH-TXPKVOOTSA-N 427.571 1.629 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1722680586 RGQGACSMQXULMI-QGZVFWFLSA-N 444.561 1.590 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC[C@@H](COC)C1 1722702834 RWYISIOUCJDVLI-MRXNPFEDSA-N 446.577 1.825 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1722861077 BCRCEGUUFZDLOM-JKSUJKDBSA-N 439.511 1.466 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)cc1 1724437563 FFKHTFPEVMLOBW-TZIWHRDSSA-N 440.548 1.863 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1740639838 FZFPGMQDBZFHMJ-ZWKOTPCHSA-N 426.546 1.336 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1740640135 ZGMCBMIWNAQVGW-RBUKOAKNSA-N 443.573 1.929 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2[nH]1 1740686363 RPBRKHQCSVHJAL-SFHVURJKSA-N 441.557 1.990 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1740857695 AGVHXMGBPTZMQS-INIZCTEOSA-N 426.587 1.549 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740885546 JCLNQVZBUASYNX-IAGOWNOFSA-N 432.569 1.953 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1)C1CC1 1740910928 ULBRHYSTZLFIQI-ZOBUZTSGSA-N 427.546 1.904 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)C(C)C 1740924214 KGQIAADMYYYSAQ-SFHVURJKSA-N 429.569 1.149 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740947029 NZVRTYDJKQUPKZ-WIYYLYMNSA-N 447.561 1.203 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1740949619 NGLUDQJBGOQLSZ-AVRDEDQJSA-N 432.569 1.249 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@H](C)C1 1740994081 IPIDCYZZOQLVHT-OAHLLOKOSA-N 438.623 1.765 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C 1740994346 PVNCUOSXAASPRL-IRXDYDNUSA-N 425.599 1.333 30 10 IDEE CC1=CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1742465811 XGGWWDVQTUENOR-ZZEZOPTASA-N 448.487 1.608 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCOCC1 1748684233 FKCZJQTYOOJQTG-DLBZAZTESA-N 430.578 1.696 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1748856349 ZUUPIWKERXRDRZ-IBGZPJMESA-N 437.525 1.626 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748859066 BQUWZFRGTSUWTQ-HXUWFJFHSA-N 448.932 1.133 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1748864561 ZHPUKPNRJXBKSM-OAHLLOKOSA-N 431.518 1.114 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748892057 IFJCKLYQJVDTLK-VAMGGRTRSA-N 447.605 1.142 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1748906390 DWDLLBLNDAZPTP-UHFFFAOYSA-N 432.550 1.498 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1749650427 WVJWNCYQHUALFK-UHFFFAOYSA-N 428.493 1.167 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749664799 ZZMXZLOXZKYPBB-QFIPXVFZSA-N 439.495 1.872 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1749671501 CPHJDGVBZKATBA-MRXNPFEDSA-N 446.502 1.802 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1749704694 AAGSMMDAXHYORO-WMZOPIPTSA-N 449.506 1.872 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1750089003 LJPTVHGBZIENHU-ZIAGYGMSSA-N 434.522 1.285 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)C1 1750491409 ZAWDLPOECUUGTD-HZPDHXFCSA-N 432.525 1.646 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nccn1C(F)F 1751218753 GFNCHNBJRVSXGL-SJKOYZFVSA-N 442.496 1.658 30 10 IDEE C#CCCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1760142692 KABGVLXNTYHNHR-JOCHJYFZSA-N 425.537 1.850 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(OC2CCOCC2)c1 1760161280 ZTYPLEGDCBGWJK-UHFFFAOYSA-N 447.499 1.996 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760187270 CINPABGBLXXEMG-UTKZUKDTSA-N 431.562 1.682 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(CCOC)no1 1760322645 VSKARNQKNSEHJO-GJYPPUQNSA-N 432.525 1.972 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760333557 HFGQTUPFRDGMLS-XSYGEPLQSA-N 444.580 1.904 30 10 IDEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760475013 QKUOSFXQKHLVQE-UHFFFAOYSA-N 437.591 1.728 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(C)=O)CC1 1760514582 AKGFAJDFQKBTCX-UHFFFAOYSA-N 433.516 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760523428 XWAFMOBULGCEFB-INIZCTEOSA-N 434.504 1.100 30 10 IDEE Cc1nnc(N2CC[C@H](N(C)Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762561541 NJTCZFSARCYJQR-XJUMHSELSA-N 435.532 1.824 30 10 IDEE C[C@H]1COCCN1c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1763222149 GRRZPAXCEUCPIX-SIUCFOQUSA-N 436.516 1.815 30 10 IDEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1768910886 DHKVOEOCFHSYIM-OAHLLOKOSA-N 433.513 1.110 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1769368470 DFPLRZIHBVSDTR-QAPCUYQASA-N 429.550 1.039 30 10 IDEE C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)OP(=O)(O)O 1848436692 GDOMASQXEWHBDG-OMAJZLRHSA-N 444.392 1.724 30 10 IDEE COc1cccc(CN2C[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)c1 1851527670 LQVWOVGOJVYGSK-CYBMUJFWSA-N 447.435 1.914 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)CC1=O 1853883476 DSPLYOUXOFCPSU-CQSZACIVSA-N 438.311 1.881 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C(=O)C1 1855296299 XWUQSQZLQAGOES-NHCUHLMSSA-N 426.542 1.809 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCOC2)C(=O)C12CCCCC2 1856281212 FIMLQIMVRXQLIW-KRWDZBQOSA-N 431.514 1.657 30 10 IDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CSc2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1857286807 ZRDMXXIATHZNNG-VQIMIIECSA-N 431.558 1.881 30 10 IDEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCC3(CC2)OCCO3)CC1 1868782106 DBBFZUXIQVXVPD-QGZVFWFLSA-N 432.546 1.506 30 10 IDEE CC(=O)Nc1cccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 1870149090 LJZHKVMBILZZFQ-UHFFFAOYSA-N 429.396 1.575 30 10 IDEE COc1cccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 1870159981 VXPYVYMOMYWUGJ-UHFFFAOYSA-N 432.396 1.391 30 10 IDEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCNC(C)=O)CC1 1870350193 UOFZRLLVTONIRP-UHFFFAOYSA-N 437.544 1.573 30 10 IDEE Cc1nc(C2=C(N)N(C[C@H](c3ccc(O)cc3)N(C)C)CC2=O)sc1C(=O)N(C)C 1872795910 DIQWZNDORCEFOH-OAHLLOKOSA-N 429.546 1.674 30 10 IDEE CCc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)s1 1889484911 URHYZPDEBUXDGE-UHFFFAOYSA-N 425.620 1.731 30 10 IDEE C#CCOCCOCCNC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2015732023 ADLGECPGCRXGOR-HXUWFJFHSA-N 433.549 1.794 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1(O)CCC1 2022938435 XKWILKYHBVFNRP-GJZGRUSLSA-N 438.525 1.766 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124539653 XYMFTDGHAXLCPY-OAQYLSRUSA-N 448.329 1.740 30 10 IDEE COC(=O)C1(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2224122217 VPPUGPOXAFJWFC-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247916741 CXVMZZUYJXZUSP-UHFFFAOYSA-N 430.261 1.599 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248404284 LPDAXPLSSBYNPS-SWLSCSKDSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2251305684 CWBXOJWXTPKCJI-HZKCSVFLSA-N 426.319 1.023 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2255658509 FIYNADATMTTZLF-UHFFFAOYSA-N 430.236 1.240 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255658746 IJAZVSPPVKVVFC-WDEREUQCSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255855258 LXJARFFMDMDMFB-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255862080 GHXHMGNBEQDTCK-OAHLLOKOSA-N 435.330 1.680 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2255876681 OWBMMBPHZLMQOC-ZDUSSCGKSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256019329 ZBAZHFXSFQRRPJ-CQSZACIVSA-N 436.314 1.307 30 10 IDEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267010235 RTPSLBYHSFPJOX-CABCVRRESA-N 448.373 1.952 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)n1 2267113581 VYQOFDUZOPNDTQ-LAMFTWINSA-N 447.345 1.290 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267126062 JJPAHVSXSGQKQP-DZKIICNBSA-N 446.357 1.705 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2267153192 BCAZTJWVZDGMCU-SFHVURJKSA-N 444.263 1.311 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267267270 VRVMCODHRMWQGT-KBPBESRZSA-N 449.361 1.584 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267274686 DDPLVYPPSARILN-GJZGRUSLSA-N 448.329 1.188 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2267549788 PUMMIUYNPZEGRW-HOTGVXAUSA-N 444.341 1.619 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203068 SFMHOXRSHFPFSM-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1 20527485 VIIYYSXJBIZPBL-AUEPDCJTSA-N 445.480 1.700 30 10 IDEE CC1(C)O[C@H]2[C@H](O)C[C@](OCc3ccc(C#N)cc3)(C(=O)NC[C@@H]3CCCO3)C[C@H]2O1 37403624 YNNXMBUNACERDM-JDPWZNKLSA-N 430.501 1.784 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)ccc1F 110157308 ZLPHAECYIXTHKX-UHFFFAOYSA-N 443.541 1.636 30 10 IDEE C#CCOC[C@H](O)CN(CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 230089921 DZFDVRXUYBROFD-JKSUJKDBSA-N 433.574 1.959 30 10 IDEE COc1ccc(NC(=O)Cn2cc(NS(=O)(=O)c3cnc(C)c(C#N)c3)cn2)cc1 427195752 BMLIDLZVYGPQHF-UHFFFAOYSA-N 426.458 1.906 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 440377424 IOKZTRUGKQSNTD-SFHVURJKSA-N 441.553 1.263 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cn(Cc3cccs3)nn2)CC1 463344644 JBRPYXHTNNHKPD-UHFFFAOYSA-N 442.526 1.406 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465183470 AODZWICGHUPKHG-INIZCTEOSA-N 428.518 1.062 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(OC)c2)CC1 474029541 DNAFGOXNXQNQFX-UHFFFAOYSA-N 432.340 1.066 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)c(F)c2)c1=O 477016194 ZUGSBPVLEKJRLN-UHFFFAOYSA-N 436.306 1.613 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1C[C@H]1CCCO1 478753022 CGOSVLAPEKELHD-MRXNPFEDSA-N 443.544 1.820 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 482833783 GTGVVTGTPMLZNF-ZFWWWQNUSA-N 434.468 1.898 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(C[C@@H]2CCCO2)c1=O 489092692 GNYGRSWQNUZHKQ-SFHVURJKSA-N 446.532 1.934 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 504980823 ZHWAHOSZOIAYOU-HXUWFJFHSA-N 433.528 1.096 30 10 IDEE C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508885814 UFOHZVVDPGUMEQ-SFHVURJKSA-N 435.550 1.473 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 508912082 KDSBTSLISAMGFH-IRXDYDNUSA-N 435.554 1.143 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 512848817 KCAFTQASOZYPPT-LJQANCHMSA-N 439.497 1.984 30 10 IDEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 514475087 LAYSGHGGEBFAHA-SFHVURJKSA-N 435.505 1.501 30 10 IDEE Cc1nn(C)c(C)c1CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 537084252 ADBHANGZDPAZBP-UHFFFAOYSA-N 444.561 1.557 30 10 IDEE C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 554680467 XXLBUDHUPRTTQH-FQEVSTJZSA-N 442.453 1.009 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 588156230 OVHHTKWCPINZTD-UHFFFAOYSA-N 430.489 1.265 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 590915116 ZUQIXSXFYYLBBY-AWEZNQCLSA-N 447.507 1.642 30 10 IDEE COc1cc(CNC(=O)CN2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC 619510271 QFHXIMRRKASEPY-UHFFFAOYSA-N 425.489 1.417 30 10 IDEE COc1cc(Br)c(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)cc1OC 734705809 HSGHQDLHPVTJOV-UHFFFAOYSA-N 426.248 1.852 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 740847800 XOKGFYWVUQTVNN-HOCLYGCPSA-N 441.575 1.033 30 10 IDEE COc1ccc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)c(OC)c1 760407596 XWLFNZNGDROVJR-OAHLLOKOSA-N 449.529 1.977 30 10 IDEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764750145 MDRDLDXBJLHQFA-MRVPVSSYSA-N 428.276 1.828 30 10 IDEE CC(C)CN(CC(F)(F)F)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767676516 BXBMIEARARQEIN-CYBMUJFWSA-N 449.451 1.815 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cc[nH]n1 772518979 BBSQBRPATJRSSW-KXBFYZLASA-N 447.879 1.435 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)n1 788810511 VKIJTNDQSOGHHO-JOCHJYFZSA-N 429.521 1.382 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 789185397 RVMAOXYNCDPGAD-WMZOPIPTSA-N 430.509 1.433 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(Cc2cnn(C)n2)C1=O 807935394 SDUPLRYFOCEMFJ-INIZCTEOSA-N 449.968 1.668 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)OCc3ccccc3)n2CC=C)CC1 809890163 VLWBARWOGBSPJE-UHFFFAOYSA-N 436.516 1.856 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 809920758 CCDLYSKXGLKYLJ-DLBZAZTESA-N 434.541 1.293 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC 812143974 DGAPDQHLJRSGBU-MRXNPFEDSA-N 441.579 1.512 30 10 IDEE 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C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2CCOC2)CC1 1540898103 ZKPKUORCUOSDEH-QGZVFWFLSA-N 439.582 1.270 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)OC)CC1 1540902522 LJIOOIXQSSITNK-INIZCTEOSA-N 426.539 1.510 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1541112032 DOZOVJSDYAEBGE-RBSFLKMASA-N 425.484 1.181 30 10 IDEE CCOc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1547940668 BYHOFJXQKIUSAE-JKSUJKDBSA-N 426.477 1.414 30 10 IDEE CN(C)CCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1552866478 AQRCIBALMFKZKX-QFIPXVFZSA-N 446.575 1.116 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)(C)C1 1565408863 FLWPTTNUONHPJI-IQUTYRLHSA-N 426.539 1.212 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CCN2C1=O 1566238912 VFESDUUKBCPVSP-KRWDZBQOSA-N 427.310 1.403 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1584296437 HTYOTAYIZOYGGU-UGKGYDQZSA-N 436.487 1.550 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3COCCN3C(=O)OC(C)(C)C)cc2C1=O 1586967475 OLMXYNJMLPZBED-OAHLLOKOSA-N 429.473 1.834 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1587621402 TYBAJCCPUXRKQK-GJZGRUSLSA-N 440.529 1.085 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589581786 WIHNFLWJUNTMPS-KURKYZTESA-N 439.582 1.583 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCC2)CC1 1594236423 BVTUCORKXZXKLD-INIZCTEOSA-N 442.607 1.550 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594812499 GVAQEZXDJQAMCP-SJORKVTESA-N 432.525 1.585 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC=C(c2ccccc2)C1 1595551071 LFSHNIFHKJNYSY-IBGZPJMESA-N 441.557 1.776 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595845294 QZGSRQRGCNLQQZ-HUUCEWRRSA-N 439.611 1.535 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OCC 1598350970 YTUKDUIYUVLVSP-QGZVFWFLSA-N 433.530 1.862 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1614222648 FWBGJISVQQSPPU-MOPGFXCFSA-N 444.561 1.856 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1620037356 LZKIRSZRHDSKLV-MSOLQXFVSA-N 426.477 1.031 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1620053418 LPTKQXUANJMABM-RXVVDRJESA-N 440.548 1.779 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 1631091900 AGFBLLIPVKJOFW-HNNXBMFYSA-N 433.350 1.938 30 10 IDEE COc1ccc(CC(=O)NOc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1631976611 GIFAOIADBYQGIF-UHFFFAOYSA-N 431.470 1.240 30 10 IDEE CC#CC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1632078122 LFVBIGKXWQFDKG-NSHDSACASA-N 426.844 1.918 30 10 IDEE C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1633264228 TZHJNXVELGTHNO-MSVBSMQLSA-N 446.529 1.662 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCn4c(nnc4C(F)F)C3)C2=O)cc1 1635513364 DZKSBDRZGXKLAO-CYBMUJFWSA-N 429.387 1.335 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1635693380 YOPBNQVBPKMRKE-UWJYYQICSA-N 449.529 1.621 30 10 IDEE CN(C)CCn1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1-c1ccccc1 1635697756 NKBOKRWCKYSMRZ-UWJYYQICSA-N 427.530 1.122 30 10 IDEE CN(C)c1nc(N)nc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1636464470 ZPXRDERCXYSWTD-WDSKDSINSA-N 434.291 1.763 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H](CO)CN1CCCC1 1636962667 WONABCVNXUMMSX-UYAOXDASSA-N 428.533 1.965 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCSC[C@@H]1c1cnn(C)c1 1639585673 JJTDUBFUTULERG-RDTXWAMCSA-N 433.559 1.665 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 1654308524 JXRMUCOSNWYKJT-UHFFFAOYSA-N 446.342 1.175 30 10 IDEE N#C[C@]12CN(c3ncnc4cc(I)sc34)C[C@H]1CS(=O)(=O)C2 1655913994 AYGATUHWNPGTRO-ISVAXAHUSA-N 446.295 1.670 30 10 IDEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1667039855 KTCNWEBZHVYPJJ-GDBMZVCRSA-N 425.532 1.029 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)C1 1672134622 KEVFDTXXSVZQIL-ZDUSSCGKSA-N 426.336 1.998 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1C(F)(F)F 1672543022 ZBAPQZXIUKBLHI-RYUDHWBXSA-N 431.419 1.494 30 10 IDEE C#C[C@H](CC)NC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1682896605 GOJQNXCQHBBBDD-GFCCVEGCSA-N 440.909 1.099 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)CC1 1684057176 LWHYJECMFXYFRY-OAHLLOKOSA-N 433.559 1.666 30 10 IDEE CC[C@H](CN1CCOCC1)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1685299054 DSPWMOXOWVXCOX-HXUWFJFHSA-N 437.548 1.891 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1689980318 POAAJHUVOLEIGA-ULQDDVLXSA-N 442.607 1.524 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689991146 WWDGHJJVKCNYCB-GOSISDBHSA-N 435.594 1.725 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCC)c1 1690030364 SJNWJEPEKAKLBO-UHFFFAOYSA-N 432.528 1.775 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2([S@](C)=O)CC2)CC1 1690117812 WRULDQILAAYCEB-HKBQPEDESA-N 443.573 1.629 30 10 IDEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1690539461 AHWRBRRPBJSLAJ-LJQANCHMSA-N 433.490 1.558 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1690596947 FICBJHRHSUNFCI-IAGOWNOFSA-N 441.623 1.933 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)N2CCOCC2)C1 1690694962 YKGVPMBQXALNGA-SFHVURJKSA-N 441.532 1.984 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1692585758 NSCKLQLAXSZOTC-CTNGQTDRSA-N 437.516 1.692 30 10 IDEE CC[C@](C)(O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1693928313 UVPYGRUYKINZAL-COPCDDAFSA-N 432.569 1.656 30 10 IDEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1696786884 RFIVDLCMQWIJLX-LEWJYISDSA-N 449.515 1.738 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C(C)C)N1CCOCC1 1698231270 WKQHOAATHBMHSQ-WCIQWLHISA-N 434.585 1.955 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cc(F)c(F)c2F)CCO1 1698490858 KKNVHNAQEIKCCB-NSHDSACASA-N 438.385 1.848 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705569792 JUNGNJXMVLQYGU-FQEVSTJZSA-N 436.541 1.528 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1705580294 HLDPGCHHRROKHH-UHFFFAOYSA-N 430.468 1.532 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@H](C)C1 1705613048 UVHJJNDYNTXGEY-SQNIBIBYSA-N 439.582 1.276 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC(=O)N(C)C)n1 1705632171 WTKRCFZZJBDUHH-GOSISDBHSA-N 429.525 1.091 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1705864337 YGNCVWDUFVURBB-ZIAGYGMSSA-N 438.579 1.421 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1705884850 ZATRFXZKFPFVPY-INIZCTEOSA-N 449.581 1.185 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSC[C@@H]1C 1705901807 XCRPFIVTDRTMGT-ZDUSSCGKSA-N 425.518 1.838 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)C1 1705922238 IZJRRFSETDJTAX-QZTJIDSGSA-N 432.569 1.246 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705933336 CRBQKUPCTUSJDL-OAQYLSRUSA-N 447.561 1.517 30 10 IDEE CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1706360125 AARYPTMQDJERBW-MBOZVWFJSA-N 439.630 1.995 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1709444898 JFVAWSZBSZOSNX-JOCHJYFZSA-N 435.536 1.823 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1712876784 UPPZJPJJCWEVQJ-RISCZKNCSA-N 425.408 1.549 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1722426856 NKRTUPHSADRRAY-INIZCTEOSA-N 435.525 1.197 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3ccccc32)CC1 1722431542 MMPVLNZHRQETRU-IEBWSBKVSA-N 442.589 1.374 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC(O)CC2)CC1 1722439495 DUUJEGKEPCEGRL-UHFFFAOYSA-N 443.621 1.236 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCC(C)CC2)CC1 1722441990 VPHVMEYKQMBYLB-HXUWFJFHSA-N 427.597 1.276 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNc1ccccn1 1722640847 SJDAVVJODLTHFC-MRXNPFEDSA-N 435.554 1.130 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722736609 CJFGLYYAOTYGLZ-HZPDHXFCSA-N 441.554 1.445 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1722750794 ONESGWOQAFPFAI-UHFFFAOYSA-N 447.561 1.659 30 10 IDEE CNC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729721496 DRWDYDPUWTXRTB-OAHLLOKOSA-N 429.475 1.460 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccco1 1730871672 VPGFHLQKNWZAOG-TVTNDZMWSA-N 444.536 1.679 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1740554218 XKOAHUXHQDHVER-YLJYHZDGSA-N 438.557 1.931 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740566420 GPDQJHARKCXYGH-LJCCNALRSA-N 439.582 1.465 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740580973 MCSSGUFKGUNKIQ-JKSUJKDBSA-N 425.555 1.076 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1740635528 MZDZZGGSBAQDOC-UHFFFAOYSA-N 443.598 1.705 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1740672190 YRELBVAXIFYBDB-INIZCTEOSA-N 439.582 1.945 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCNc1nccc(C(F)(F)F)n1 1740684143 XEQPLZKRIWDWBC-UHFFFAOYSA-N 449.441 1.686 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1740684717 ZQCWHFGKANJORS-LJQANCHMSA-N 433.516 1.764 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740852725 RBYXDPGUBHMJHW-HTAPYJJXSA-N 435.569 1.872 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)n(C)c2=O)C1 1740980779 MQZVSKDOOPOYBS-ROUUACIJSA-N 447.561 1.017 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740990628 XVNLBZCMPGJADR-HXUWFJFHSA-N 435.550 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1740994338 PSMKIHRRFMJLKK-GOSISDBHSA-N 431.518 1.495 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1741801584 BMRCEXRGKPBPBL-OWSLCNJRSA-N 430.532 1.866 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1748750948 ABBWEERXROHZFE-HPGBDJQBSA-N 434.587 1.967 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1748756305 JEDYCWMOVUBHRZ-DENIHFKCSA-N 435.576 1.666 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1748802396 PEXVODXGFFEGIR-HNNXBMFYSA-N 425.530 1.325 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(=O)OC(C)(C)C 1748842704 STIMASWHTGULLP-UHFFFAOYSA-N 440.504 1.946 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1748892325 NQHKPVIKKOAPOK-VQTJNVASSA-N 431.606 1.908 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COC)CC1 1748989465 MDJNJVWZKSQYRT-HXUWFJFHSA-N 443.573 1.130 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1749054182 PHOMXQUIZSZVGK-YCRPNKLZSA-N 444.561 1.887 30 10 IDEE C=C(Br)Cn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749112818 QENINJMBVWYLBK-KRWDZBQOSA-N 428.331 1.554 30 10 IDEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749434056 FOVMLSORZIVRNF-SFHVURJKSA-N 438.532 1.587 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1749668701 CVXJAYBNINXFFP-UXHICEINSA-N 425.533 1.922 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749700634 MCKYEEAGSUMNOR-GJZGRUSLSA-N 445.911 1.763 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760136116 CLFIYLRBIZCEBC-PMACEKPBSA-N 427.597 1.637 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760189430 PAHQHMCBJQIOML-SFHVURJKSA-N 440.504 1.744 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)OC(C)(C)C)CC1 1760273346 PRUJQJPSDCKNKZ-QGZVFWFLSA-N 446.552 1.620 30 10 IDEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)CC)C1CC1 1760473376 SFHYSNSUSYOSMM-UHFFFAOYSA-N 443.533 1.688 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1760522061 KYRXJTRYPJEINN-KBXCAEBGSA-N 433.459 1.940 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760523522 AXYHDBCSQQPNCM-GOSISDBHSA-N 445.568 1.548 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760524163 QLMJALSVMMJVMN-GOSISDBHSA-N 432.569 1.558 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760548886 RJQUEIZFMPLHEO-QYZOEREBSA-N 439.626 1.939 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760755102 MXRLEVSNWVATSH-MVZUJROASA-N 443.552 1.485 30 10 IDEE CCCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1764201726 PLDXUKWYNQMGJC-LJQANCHMSA-N 429.569 1.897 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766561470 SKQOJMVVAFVOIX-UYAOXDASSA-N 443.596 1.997 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1768888794 IBTUXUGWQWJTLZ-QZTJIDSGSA-N 426.521 1.529 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H](C)O1 1769490301 WTLRKSUAKMDEJH-XWPNQZOQSA-N 427.505 1.597 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1770081817 LGLQIASAJGMMQS-HXUWFJFHSA-N 431.472 1.327 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ncccc1C 1771220309 WENMDZFPYYTFAC-IEBWSBKVSA-N 425.537 1.930 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CC(=O)NCC(F)(F)F)cc1 1771533135 ZXMCJKKNQXGGIU-IBGZPJMESA-N 447.421 1.212 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccc(CC#N)cn3)CC2)cc1 1851895562 LGGSYHFWRYBXDK-UHFFFAOYSA-N 428.514 1.619 30 10 IDEE C[C@@H]1CC(=NC(=O)CNS(=O)(=O)c2cccc(F)c2)NN1c1ccc(Cl)cn1 1853234926 AKAZXMZITLYEAQ-LLVKDONJSA-N 425.873 1.881 30 10 IDEE COc1ccc(S(=O)(=O)C2CCN([C@@H]3CCCCN(C(=O)CC#N)C3=O)CC2)cc1 1853990974 HXXKXLSHIUUGDD-LJQANCHMSA-N 433.530 1.755 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)[C@H](C)C2=O)CC1=O 1855002523 POGCMVAZURSAAF-SJORKVTESA-N 433.530 1.086 30 10 IDEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855810888 UZEKTWIUWSDRAJ-CYBMUJFWSA-N 432.889 1.977 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)COc3ccccc3Cl)C2)CC1 1857067560 ZFJVENXDUVWONE-OAHLLOKOSA-N 439.921 1.659 30 10 IDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1857305937 KLZQVWXKSBAHIQ-LJQANCHMSA-N 433.530 1.612 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)n2ccccc12)[C@@H]1CCS(=O)(=O)C1 1858242271 VGCOBLHKMCLCBM-MRXNPFEDSA-N 437.481 1.717 30 10 IDEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868783925 UOAOLMOXDXVIEU-WMZOPIPTSA-N 446.573 1.895 30 10 IDEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 1870107159 VWRCOVAIYXJOKW-ZDUSSCGKSA-N 425.408 1.693 30 10 IDEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN(CCOC)CCOC 1870497360 FGFQFJLHGJYDQA-UHFFFAOYSA-N 435.565 1.911 30 10 IDEE COc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC#CCN3CCOCC3)C2)nn1 1889384712 MPTDCGSPGGYFTO-HXUWFJFHSA-N 449.555 1.820 30 10 IDEE C=C(I)CS(=O)(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1895190968 JGWXALMIFUQUCC-SECBINFHSA-N 433.264 1.718 30 10 IDEE CO[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2124520139 RHFKVOSVPDQNGH-LSDHHAIUSA-N 448.329 1.739 30 10 IDEE C[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)N1CC(NC(=O)OC(C)(C)C)C1 2141664570 CXNBZBGRHCNXQT-AWEZNQCLSA-N 446.357 1.917 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(C#CCO)c(F)c1 2145939215 PQZZDHNKHCEORH-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE COCCN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247949861 AJFHDURMPGHHLR-UHFFFAOYSA-N 435.355 1.557 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401274 HDUKTHRRMNBMEK-FZMZJTMJSA-N 441.359 1.333 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255602577 UTAODGHGEKOKCA-NSHDSACASA-N 430.236 1.240 30 10 IDEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2255645623 QKNZFQIWBFCILD-DZGCQCFKSA-N 432.330 1.761 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256924197 SNNPHOMGUJBKSB-INIZCTEOSA-N 445.350 1.757 30 10 IDEE CC1(C)OB(c2ccoc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256924314 TWLYBFPEBGQHPV-UHFFFAOYSA-N 428.294 1.895 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC[C@@H]1CO 2267281734 XKVMMDSSJNANBG-PBHICJAKSA-N 449.357 1.662 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267871110 LQKRRQUYXYYGAX-CABCVRRESA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267881583 ITXQORHUWPKPAI-CQSZACIVSA-N 444.341 1.905 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)cc1F)NC(=O)OCc1ccccc1 2286022052 BZMPOUSFTXRFAR-KRWDZBQOSA-N 435.433 1.907 30 10 IDEE COc1ccc(C#N)cc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286034996 QIWRHYDEMHDERM-INIZCTEOSA-N 433.442 1.688 30 10 IDEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 2296617485 SQUSGZHKTMILTI-FQEVSTJZSA-N 441.459 1.983 30 10 IDEE CC(C)(C)OC(=O)N[C@]12C[C@](C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)(C1)C2 2303957278 UAOOICYHJUTGRI-KDURUIRLSA-N 436.343 1.645 30 10 IDEE CCOc1ccc(NS(=O)(=O)c2ccc(NN=C3C(=O)NC(=S)NC3=O)cc2)cc1 12487229 OGJQCNTZNZAJOX-UHFFFAOYSA-N 447.498 1.185 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1 16557769 BWANLNCRWQKUEO-HXUWFJFHSA-N 426.494 1.949 30 10 IDEE C=C1C[C@@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(C)=O)C[C@@]5(C)CN4[C@H]6[C@@]2(O)[C@H](OC(C)=O)[C@H]1[C@@H](O)[C@@H]73 100660224 OGNUSOJAYIHLNS-JTWZLCIJSA-N 429.513 1.021 30 10 IDEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105280853 KSAYQOQOWBSWFY-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 480176771 ALCMUQJSZBUAOT-KRWDZBQOSA-N 432.505 1.626 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)c1 482101775 GILQLRUPBSNVGE-OAHLLOKOSA-N 426.498 1.679 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 482203675 AVXBXLKBTAEHPD-DNVCBOLYSA-N 426.498 1.537 30 10 IDEE CC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@@]2(CCOC2)O1 483190216 CWWCEWKMTJXCSP-FUPPJEDESA-N 430.524 1.804 30 10 IDEE CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 503607982 FRXMBCNVBOUWJL-UHFFFAOYSA-N 426.498 1.710 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)C2=O)cc1 503831300 OVDVDNJCCGJPLK-SFHVURJKSA-N 445.522 1.362 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 533276973 OHZXMNDTIRUSCJ-UHFFFAOYSA-N 447.948 1.880 30 10 IDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 536391537 RPWOEDJDWOKURT-UHFFFAOYSA-N 441.513 1.821 30 10 IDEE CCc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 537685747 TUTDHLWHWIWDST-UHFFFAOYSA-N 440.525 1.901 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cnc(C)nc3N)nnc12 560499236 JSJJSXZSVVSRHI-UHFFFAOYSA-N 436.501 1.319 30 10 IDEE CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862034 HLKVAQXUKMGKQP-UHFFFAOYSA-N 445.539 1.256 30 10 IDEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)CC1 590304126 IHYUUAOQBUOPQM-MRXNPFEDSA-N 448.545 1.931 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@H]1CCCO1 590914681 PQYFUCCVKQUDSI-GOSISDBHSA-N 425.554 1.735 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C[C@@H]1CCCO1 603797775 HCDMZMLRVVGQNR-KRWDZBQOSA-N 445.541 1.036 30 10 IDEE N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 608895684 DUOJSCRFNAZZKE-UHFFFAOYSA-N 429.458 1.411 30 10 IDEE C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)nc1 729009588 ZFHQSPZWVALUIM-GDNBJRDFSA-N 439.493 1.365 30 10 IDEE CC(=O)N1CCC(N2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)CC1 730143797 VPLOVUZZXOIZIR-LJQANCHMSA-N 445.589 1.697 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Br 732650864 KECANYPKIPNCRI-AWEZNQCLSA-N 441.351 1.512 30 10 IDEE C[C@@H](NC1(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOCC1)c1ccccc1 733649883 FFFPTZSNMVRJCT-SGRLSNSRSA-N 441.532 1.712 30 10 IDEE NS(=O)(=O)c1cccc(NC(=O)C[C@@H]2S/C(=N/CCc3cccs3)NC2=O)c1 743277831 VWXSBINHFRTRBU-AWEZNQCLSA-N 438.556 1.554 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 746742888 KARRYXPKMSCOAK-VLIAUNLRSA-N 426.473 1.013 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 757177599 NMIZCRFZFICATJ-LSDHHAIUSA-N 443.533 1.701 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 758779651 XDZXJPIQLSFQOG-SJORKVTESA-N 425.493 1.544 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(Cc3ccccc3)c2=O)c1 763436870 OWQBBHYQMWQJLU-UHFFFAOYSA-N 444.516 1.709 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 767637633 OVDKPYLDXUHHLB-JSGCOSHPSA-N 447.435 1.569 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)c(C)o1 767955355 KGEMRMUHZHOEBP-UHFFFAOYSA-N 443.569 1.570 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br 767988394 FDMNUMYUJNNZRH-GROYHEBESA-N 447.289 1.365 30 10 IDEE C[C@H]1C[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 775849043 HSELKLFXBCFIDK-ODQRPKBASA-N 438.576 1.046 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 779201217 DVFSMUDNKOBKDO-LJQANCHMSA-N 445.497 1.836 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CCN1C1CC1 781529276 JAYUQHLUAKISMI-OALUTQOASA-N 436.965 1.947 30 10 IDEE C#CCn1ccc(CN(CC)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)n1 789325528 GREKAFARYHEUSN-UHFFFAOYSA-N 448.527 1.195 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(OC)c(OC)cc3C)cc2C1=O 789561173 OOOGBXJLGHABPL-UHFFFAOYSA-N 444.465 1.913 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)c1 790022533 UXFAFHAFDZGCFF-LJQANCHMSA-N 442.585 1.972 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(C[C@H]2CCCCN2S(C)(=O)=O)C1=O 795183978 RKEJYPOXQSAIEO-ZIAGYGMSSA-N 444.604 1.630 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)cc1 795192905 OLCFGPKSSISOGH-UHFFFAOYSA-N 434.521 1.822 30 10 IDEE C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(I)cc1)n1cnc(C#N)n1 798740891 DRMKUPLWTQDQEP-VHSXEESVSA-N 439.213 1.886 30 10 IDEE CCOC(=O)c1cnn(C2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1C 806780521 CHCDNOBJSCXTIP-HNENSFHCSA-N 444.492 1.241 30 10 IDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(F)cc1 812749127 DTYKXHQEXBQITM-LJQANCHMSA-N 432.473 1.960 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCN2CCc3ccccc32)cc1 918969298 FALLARYJNJMAFO-UHFFFAOYSA-N 443.525 1.487 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 925932426 LJIYEXMPHNFHDT-YOEHRIQHSA-N 433.486 1.735 30 10 IDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4ccc(Cl)cc4)n3)[nH]c2n(C)c1=O 1084090629 UUEMQYWNCMSOIB-UHFFFAOYSA-N 431.869 1.329 30 10 IDEE C#CCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)cc1 1129016187 QPYRTZCHIMYPDO-UHFFFAOYSA-N 428.466 1.420 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1c1ccccc1 1129491839 BLDFSYNVMVLVEX-WOJBJXKFSA-N 441.509 1.907 30 10 IDEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C(=O)OC(C)(C)C 1136877238 NHYBHZBAZIHURZ-UHFFFAOYSA-N 437.518 1.945 30 10 IDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1163652642 WACKKQZROPEBCS-LEWJYISDSA-N 430.516 1.884 30 10 IDEE N#Cc1cccc(CNC(=O)CN2C(=O)c3cccc(Br)c3S2(=O)=O)c1 1190242332 FVLJHLJKJQFWMP-UHFFFAOYSA-N 434.271 1.782 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)cc1 1198252602 YNRSPUZNUIRCFK-IBGZPJMESA-N 436.490 1.419 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1224761421 HJKHPIZORUDVPP-UHFFFAOYSA-N 425.461 1.273 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3CC)CC2)nn1 1230272537 VWEZYIMKMZJNDC-KRWDZBQOSA-N 426.521 1.848 30 10 IDEE N#Cc1c(CCCNC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)nn(-c2ccc(F)cc2)c1N 1255194814 JNQRFKTYBRDICA-AZOIQLNYSA-N 428.468 1.501 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286356334 OHWVJOLFSFBMQZ-KRWDZBQOSA-N 439.545 1.785 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCN(CC)CC1 1286443667 KUGZFWVKPDPEBT-UHFFFAOYSA-N 441.580 1.883 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C 1286454205 HRGMMJDKTQAMFR-JKSUJKDBSA-N 436.557 1.617 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCC[C@H]2C)CC1 1286491270 LDCVDLBICCHVPG-LJQANCHMSA-N 435.576 1.714 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nccs2)CC1 1286494490 UPMFHKSGAGHBMO-KRWDZBQOSA-N 428.562 1.837 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1286560861 JOAQIQNIRHADGX-YLJYHZDGSA-N 427.553 1.513 30 10 IDEE C=CCN(c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1286737648 SJPLBKUXIHDPCT-JOCHJYFZSA-N 446.573 1.776 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1 1286746579 BRCIMSUUVLYDLO-UHFFFAOYSA-N 437.479 1.926 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1286758987 XXJRCICYDNMCHD-INIZCTEOSA-N 431.566 1.725 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 1286790517 UBCDGQIFCVRLJJ-UHFFFAOYSA-N 439.545 1.671 30 10 IDEE COC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2I)C1=O 1288996671 KRDGHGOJKAXVEU-NSHDSACASA-N 441.225 1.513 30 10 IDEE C[C@@H](Sc1nc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cs1)C(N)=O 1290046206 OKLDDFYUVDCBQY-CQSZACIVSA-N 429.571 1.868 30 10 IDEE C[C@H]1N(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1291317487 PRFSMOYKLDRAQW-UDJKBAMHSA-N 437.504 1.870 30 10 IDEE CC[C@@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1291359987 OIEIXYXTWCFFLI-VGOFRKELSA-N 443.552 1.756 30 10 IDEE CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1298564102 DDKJLQNHYCKCNU-UHFFFAOYSA-N 440.525 1.486 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1300338641 FCLJGBGWYXMXHP-KRWDZBQOSA-N 449.581 1.310 30 10 IDEE COc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)c1 1300388599 IVFLVAOUEVVGFH-UHFFFAOYSA-N 442.501 1.548 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1300495377 GQGDXYKJPIKUGU-AZUAARDMSA-N 447.605 1.821 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300498753 MTWYDYKPNISLKU-HXUWFJFHSA-N 442.589 1.377 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1300556288 HCDJWUUKUKMFJM-INIZCTEOSA-N 433.509 1.569 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cc(C)oc1C 1300648775 JCIWMGNKXJVJHU-QFIPXVFZSA-N 429.521 1.718 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2snnc2C)CC1 1300691142 PNRMLCAQHMJZSL-UHFFFAOYSA-N 439.545 1.926 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1 1300733361 JJFFMIIYXIYGLP-MRXNPFEDSA-N 437.533 1.725 30 10 IDEE CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1302959645 ZBTOYQUYHFDQQG-UHFFFAOYSA-N 425.537 1.734 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1303802714 BJTAHQWRUSGADP-LSDHHAIUSA-N 443.537 1.256 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1303942525 SUCKTWDBSHMDGZ-IAGOWNOFSA-N 436.582 1.726 30 10 IDEE Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1304350312 SQVSWSVFTIGGHM-INIZCTEOSA-N 425.880 1.778 30 10 IDEE CCCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1306764397 ULXXHIOVVZGRSL-QGZVFWFLSA-N 433.534 1.894 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1306889469 CVKPIRFVSWQVLH-KRWDZBQOSA-N 439.578 1.611 30 10 IDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C 1306900018 MSVFULCYSMZPLR-GDBMZVCRSA-N 436.534 1.456 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1C(=O)N(C)C 1309775346 ASSKKXFHQUPUGI-UHFFFAOYSA-N 446.504 1.919 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1 1312353289 GKTOLFZYURLSPE-UHFFFAOYSA-N 433.571 1.693 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1314740911 FYPHZTNZLSAMQE-LJQANCHMSA-N 439.545 1.975 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1314965599 VQWMPYZWBOPZMO-QFBILLFUSA-N 442.520 1.353 30 10 IDEE COCC1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1315827578 GJIKWXQDTJBDBR-AWEZNQCLSA-N 436.538 1.654 30 10 IDEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1327103114 XRXWNSSINXFGID-UHFFFAOYSA-N 430.940 1.765 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CNC(=O)c3ccccc32)c1 1354286287 QBRRTDIABHCLHS-LTXLMFNASA-N 426.498 1.965 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCCC)c1 1358871241 BJRZYMXZVOFNKX-HOTGVXAUSA-N 446.577 1.534 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1N1CCOCC1 1359024135 FZIDERRPMLQCQI-HXUWFJFHSA-N 425.533 1.753 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1359056642 IXQJAMBAXXAUBT-QZTJIDSGSA-N 438.619 1.942 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359132792 FQRFILUGNDTNJH-UXHICEINSA-N 446.596 1.855 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1359198290 MXKXMKQEMDLZBT-QGZVFWFLSA-N 433.582 1.966 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1359216403 VWHMIJRUBDBOPA-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCCOCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1359229464 JWFLCIPTTLEPMS-NRFANRHFSA-N 435.525 1.602 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](NC(C)=O)C1 1359304716 HERVEQGMRLZWBT-IBGZPJMESA-N 440.548 1.827 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOC2(CCCCC2)C1 1359331089 NBDCWICWWHSVJJ-UHFFFAOYSA-N 432.550 1.875 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359343385 RWVSRJVGCQYXIL-FCEWJHQRSA-N 442.607 1.484 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359516381 YKQAPNXFTKBLMJ-ZACQAIPSSA-N 436.582 1.509 30 10 IDEE CC(C)(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359584907 MSZBSZMLINAVOH-KRWDZBQOSA-N 438.536 1.638 30 10 IDEE CNS(=O)(=O)c1ccc(O)c(NC(=O)COc2cccc(Br)c2C#N)c1 1450751146 HGHZFWYOOMXSMP-UHFFFAOYSA-N 440.275 1.952 30 10 IDEE CCOC(=O)C1([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCOCC1 1456553777 UCKWXQXOQLBNEL-HNNXBMFYSA-N 437.518 1.275 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 1460654570 XJNUTHVWSTVSBB-UHFFFAOYSA-N 438.440 1.995 30 10 IDEE N#Cc1cn(CC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)c(=O)nc1O 1472192894 YKPSTBWDKVBQLF-GOSISDBHSA-N 433.262 1.093 30 10 IDEE C#CC[C@@H](COC)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1477567709 HBNAJAITWMACHB-SFHVURJKSA-N 426.496 1.780 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1503366506 AZZJBFNESIATRL-UHFFFAOYSA-N 435.454 1.979 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H](C)O1 1504714538 PWOBREVWJUHLFO-MNEFBYGVSA-N 438.532 1.972 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1505040839 QEIVJBLDZJQRDC-KRWDZBQOSA-N 426.521 1.927 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1507654182 XHPFIQJRTBCUDH-HXUWFJFHSA-N 440.525 1.688 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)CC1 1507721146 OYVDAZFUHJACBQ-HSZRJFAPSA-N 447.587 1.809 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccn(CC)c2=O)CC1 1507736544 MNAWTFKVTOTOFG-UHFFFAOYSA-N 445.527 1.536 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1507836092 WZCRCQWEWXKWQH-KRWDZBQOSA-N 427.509 1.623 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)C1 1508123761 JSIJDRIPGFCFAP-PKOBYXMFSA-N 437.610 1.836 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1509712178 FWOLRIZIASXMOX-RTBURBONSA-N 435.532 1.979 30 10 IDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cc1 1510887356 ALQJHULRCXILIC-XLIONFOSSA-N 448.524 1.410 30 10 IDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1515077325 CJBPNHNEZJHCTI-HDICACEKSA-N 426.477 1.207 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)c1 1517626273 WKVHUAFAIKVIRX-VQIMIIECSA-N 434.497 1.528 30 10 IDEE C=CCN(C(=O)CC1(n2cnnn2)CCOCC1)[C@@H](Cc1ccccc1)C(=O)OCC 1538619331 YVPJCEUUMIIGCK-IBGZPJMESA-N 427.505 1.758 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1539219895 OGPCBIBBGZKKQY-GOSISDBHSA-N 447.536 1.161 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1539279163 WMFGFGKHIHPARK-SFHVURJKSA-N 440.548 1.949 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOCC2)nc1 1539417283 BNKUWAUWOUTADW-UHFFFAOYSA-N 447.543 1.630 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)C(C)(C)C)CC1 1539428202 NVMQTFHRUJNJHU-KRWDZBQOSA-N 425.537 1.742 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)CCOC)CC1 1539480795 FESKUGSWICQSPY-PGRDOPGGSA-N 433.553 1.273 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1539483144 ZPRLASNEIMEMSN-ZOKDDAQRSA-N 435.594 1.295 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1539749968 FMLJEDCSHSBIOZ-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2-c2ccccc2)CC1 1539828441 KFBUMPJYTKRFCX-INIZCTEOSA-N 442.549 1.674 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)=C(Br)C1 1540861883 JYRABOCBRINGTO-UHFFFAOYSA-N 425.331 1.598 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(=C)CC1 1540864666 HRORBVAFCDAGMK-UHFFFAOYSA-N 444.561 1.654 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1540875459 MYDGHOHLYWBNBA-UHFFFAOYSA-N 440.548 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1540900917 MXVCZNKLUZKEPB-CQSZACIVSA-N 446.499 1.947 30 10 IDEE CC(C)OCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1541764745 QMPRWVSFSOMGCG-SJLPKXTDSA-N 426.525 1.931 30 10 IDEE CC[S@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1552416866 OUFUZNRENPQVAX-NRRJATNASA-N 441.355 1.543 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1554494368 RQYVSLNAZYOUNC-MRXNPFEDSA-N 431.447 1.702 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCc1n[nH]c(C)n1 1555544344 BNWFTTFGKQIFNI-UHFFFAOYSA-N 444.503 1.929 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)cc1OC 1555671934 SURQXPNLEYBWEB-MAUKXSAKSA-N 431.493 1.796 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555802000 VBDDBCKGBHOAAY-MOPGFXCFSA-N 445.545 1.494 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1 1555808464 AQZDIOZKWFPEEG-AUUYWEPGSA-N 436.488 1.808 30 10 IDEE O=C(Cc1ccc(I)c(Br)c1)N[C@H]1CCN(O)C1=O 1569561441 SKAIZVBDHPBASX-JTQLQIEISA-N 439.047 1.703 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 1570635014 FDJFGGCDDHZPLN-LJQANCHMSA-N 427.526 1.929 30 10 IDEE N#C[C@@]12CN(C(=O)C3(S(=O)(=O)c4ccccc4)CCCCC3)C[C@H]1CS(=O)(=O)C2 1585138735 KUZJTOPEEFXMIF-LPHOPBHVSA-N 436.555 1.560 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587663551 ZKKYMGZEKCRSKD-BZSNNMDCSA-N 442.543 1.205 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588053237 BJWZLWQGEMDMPR-WIRSXHRWSA-N 436.578 1.756 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1588058903 FHUMRJJHORVUPF-OALUTQOASA-N 449.621 1.752 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1588064198 CSMVKHZANLLCSP-SFHVURJKSA-N 442.545 1.259 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C(=O)NCC)CC1 1588871798 QMINYSCTDMNNIL-UHFFFAOYSA-N 442.539 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCC[C@H]2C)CC1 1588876812 KAKSLCUZZCENRT-UZUQRXQVSA-N 442.564 1.031 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1593690007 HDKYHUFMKFMXLH-HOTGVXAUSA-N 434.541 1.877 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1594813368 RKEWPLGGADBSED-HNNXBMFYSA-N 449.524 1.439 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CC2)CC1 1595577627 YZCDNJMLNLGGDD-UHFFFAOYSA-N 443.577 1.104 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCSC2)C1 1595674130 MWZMYJDGPHKSLH-FOIQADDNSA-N 430.534 1.575 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595866136 ADJXGXMMCZRHTK-UHFFFAOYSA-N 443.577 1.463 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2ncccc2N2CCC[C@H]2C1 1603534482 XXZKFWPFNNTRIJ-WBVHZDCISA-N 425.514 1.631 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1610402582 ODTYRZBMXLOKHX-BULFRSBZSA-N 433.553 1.989 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)c1ccccc1 1612599468 JBCUBTJGGZMNPR-UHFFFAOYSA-N 437.529 1.654 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H]1N1CCOCC1 1612917348 LGZOAJMNFZQMAI-QFBILLFUSA-N 444.561 1.018 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1617174489 MAZIOGLMBGNEEH-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CNC(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1618816397 ICARTUSJXZUSJM-LAPQFRIASA-N 435.504 1.627 30 10 IDEE COCc1nocc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1619678597 PTPYWXKNYBLDMY-OAHLLOKOSA-N 434.522 1.493 30 10 IDEE CO[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1OC 1620146753 JPVHHNOLAMHZRS-BIBNPWKJSA-N 432.525 1.243 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(Cc3ccc(O)c(Cl)c3)CC2)CC1 1620513219 ZPVRONHRSFKUIS-FQEVSTJZSA-N 433.984 1.856 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 1622325305 QTMMXCZFNQFABU-UHFFFAOYSA-N 427.475 1.456 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)s1 1627908971 KAGLZBRIYQSVJX-SFHVURJKSA-N 428.576 1.439 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)c1OC 1632985785 SDXLPNSCJSIJIR-QGZVFWFLSA-N 431.470 1.566 30 10 IDEE COc1ccc(N2CCN(C[C@@H](O)CN3CCc4c(sc(N)c4C#N)C3)CC2)cc1 1648528755 NLKZDBRPJQGJJX-QGZVFWFLSA-N 427.574 1.752 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1650958334 JRWCEMALXXIZEJ-NEPJUHHUSA-N 434.321 1.438 30 10 IDEE CN1CCn2c(CCNC(=O)c3cccc(CNc4ncccc4C#N)c3)nnc2C1=O 1651256669 SCNLJYAIROPOIO-UHFFFAOYSA-N 430.472 1.215 30 10 IDEE N#C[C@]12CN(c3ncnc4ccc(I)cc34)C[C@H]1CS(=O)(=O)C2 1652292017 OBWFVIMXCOYMOR-ZUZCIYMTSA-N 440.266 1.609 30 10 IDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1656388019 BEEYCTZVJMITCQ-LJQANCHMSA-N 437.500 1.279 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 1662965156 NVQMCHKUYZZMPT-UHFFFAOYSA-N 439.446 1.517 30 10 IDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 1663167322 FRAFZCJAAJJBHL-SMDDNHRTSA-N 445.291 1.436 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N(CCOC)CCOC 1665507325 SMZSFJDRAPNBMG-UHFFFAOYSA-N 433.571 1.161 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)n1 1667516924 FODOOSVGKKCJGF-UHFFFAOYSA-N 428.445 1.770 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)CC1 1679112543 BVFQVFAXKCFQNA-INIZCTEOSA-N 439.969 1.104 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1689851156 MTFAJUNSPNNISZ-WBVHZDCISA-N 430.530 1.848 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1689994206 TYDKAKDZFZYINC-OAHLLOKOSA-N 448.599 1.765 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1690009900 NTUFNHPWKFAWQR-KRWDZBQOSA-N 435.484 1.242 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1690013521 RYVUWWMBSFPIJO-UHFFFAOYSA-N 431.500 1.181 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1690102838 WADNECLSQQUEEE-UHFFFAOYSA-N 441.623 1.400 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690155101 FTXPHRSXGUYCJH-MRXNPFEDSA-N 441.561 1.787 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690227522 AZDYDVUJQJPKPP-KBPBESRZSA-N 448.387 1.946 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1690709671 JNRLSDFDHMVOPN-SJORKVTESA-N 425.493 1.033 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1691001078 CBFSRCDWGTVOKE-INIZCTEOSA-N 429.525 1.714 30 10 IDEE CCCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1695265242 BIUKNBMCCFBSIY-SJORKVTESA-N 425.493 1.580 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)CC1=O 1698088416 RKWRKEUXBRLYEZ-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@H]1CCOC1 1705577414 ZKPKUSHQHGGEFR-FQEVSTJZSA-N 432.488 1.189 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1705598211 DQWAFRIVEBCFJG-ROUUACIJSA-N 426.546 1.417 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1705641385 CLZGHHLAMWLYLQ-XMMPIXPASA-N 436.560 1.893 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CC(OCC)C2)CC1 1705649117 KRSMTAIILBAKHU-UHFFFAOYSA-N 426.521 1.169 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ncccc2N(C)C)CC1 1705652512 BWSSSNHGZOKBHF-HXUWFJFHSA-N 437.548 1.605 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1705729433 YADVROCNJNXWPV-UHFFFAOYSA-N 432.569 1.849 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705824486 RERPQONCDIHDFQ-UFYCRDLUSA-N 446.596 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)C(=O)C1 1705899059 HGLSZBUTDDTGQZ-UHFFFAOYSA-N 432.912 1.196 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705899781 GXMCRWGIUGOZSL-UHFFFAOYSA-N 438.536 1.370 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NC)CC1 1705904587 SRTPCNCYTFVWAG-SFHVURJKSA-N 440.504 1.055 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)[C@@H](C)C1 1705990532 WRDLYTYBGBTZDD-INIZCTEOSA-N 428.562 1.989 30 10 IDEE Cc1cccc(-c2nnc(N3C[C@H](C)O[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1707605899 PZCLWHPCXFYSQP-WAOLJKTLSA-N 437.504 1.789 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1708152750 HURVKVCZSYHZDF-IVZQSRNASA-N 437.552 1.431 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1722395054 OOZPNXKGRFPBLW-UHFFFAOYSA-N 439.339 1.048 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N(C)C)CC1 1722441850 VSLKTUHEBXCWDM-INIZCTEOSA-N 431.585 1.112 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(N(C)C)CCC2)CC1 1722447749 NAVUTGCPSXNJRI-LJQANCHMSA-N 428.581 1.622 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722454672 GKWBRASRGZVFIR-UHFFFAOYSA-N 428.562 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F 1722728346 QIRQIAQJJDOBNY-LBPRGKRZSA-N 444.501 1.170 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1OC 1727652506 HYBLKHXFOVXFAM-GOSISDBHSA-N 447.499 1.992 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1730763229 SOOKZGLHIVGMKP-GOSISDBHSA-N 440.504 1.689 30 10 IDEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740584770 JYTSTIQBRONUJT-DOTOQJQBSA-N 440.479 1.118 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1740704359 LZKDBKIVLHGJNL-IAGOWNOFSA-N 425.537 1.460 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1740763844 QQYOIUMFKLTQFJ-AZUAARDMSA-N 427.553 1.823 30 10 IDEE C=CCCCCn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740862598 YWJZPCIVKIUCPH-UHFFFAOYSA-N 428.541 1.369 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2=O)CC1 1740886951 YCVIDXAWISDABI-UHFFFAOYSA-N 444.580 1.975 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(=O)NC)C1 1740979181 HTGALTWXSPEWKW-AWEZNQCLSA-N 430.509 1.559 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1748751648 JKJYBPWYJZFZIM-GOSISDBHSA-N 449.581 1.011 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3nsnc3c2)CC1 1748976763 AAXABNOSOLGRLX-INIZCTEOSA-N 441.561 1.810 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCOCC1 1749471036 HKWIXLIMPFJFJK-UHFFFAOYSA-N 433.534 1.220 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1749634129 ZHGWHBDRPSSUOU-UHFFFAOYSA-N 425.518 1.822 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1749666044 FFKPPMQKGLZFTO-UHFFFAOYSA-N 446.987 1.729 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@H]2CO)CCO1 1750389046 VTMCXXQJWJHUBR-VQTJNVASSA-N 442.539 1.974 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1750949783 ZGPGTJOTJDYDFD-AOMKIAJQSA-N 439.495 1.911 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1751171446 HEKCRCQNIFYJAR-SXGZJXTBSA-N 433.534 1.226 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCCN1CCCC1 1751215735 AEDHPAVESRULFO-LPHOPBHVSA-N 441.577 1.596 30 10 IDEE Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1751917891 OHDOYLVLKIOBBN-MXLIYFDZSA-N 429.525 1.102 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCS(=O)(=O)N(C)C)c1 1760129096 XTKSVADIRSGOPW-UHFFFAOYSA-N 430.534 1.103 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760157631 WIGFDMKLDFHPBC-IBGZPJMESA-N 436.516 1.786 30 10 IDEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1760159487 IBGLOZYMMRTDKA-KRWDZBQOSA-N 429.546 1.944 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760168311 XCBGFLXCDOAAOJ-OAHLLOKOSA-N 433.534 1.313 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1760169826 DOFOQBHYXAUMFY-SZMVWBNQSA-N 441.536 1.772 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)C 1760176364 IHMXUQAUSQFZKX-UHFFFAOYSA-N 437.592 1.484 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760187584 KGYYUMZMASULEI-RBUKOAKNSA-N 435.594 1.632 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCOCC2)CC1 1760195982 CKYGIYWYTCJOCR-UHFFFAOYSA-N 435.528 1.900 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(C)C 1760218754 MHLCBYQGUMTFNW-UHFFFAOYSA-N 448.575 1.783 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([S@](C)=O)CC2)CC1 1760264081 AUTDZSMPMZENJT-PMERELPUSA-N 427.574 1.832 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1 1760452168 GNPVYAKUPNQWOG-UHFFFAOYSA-N 442.568 1.726 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1760522376 RWILBZBNIYAWFL-GOSISDBHSA-N 445.612 1.348 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760523705 GGFDUJXGXMHSQB-IBGZPJMESA-N 427.553 1.896 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760527642 DEEFKUGOSSFMOH-GDBMZVCRSA-N 428.468 1.013 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)[C@@H](C)C1 1760528634 IQHZUTZDBZCUBP-NLWGTHIKSA-N 448.612 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1760555982 RUBVJADQDWSJRB-BZSNNMDCSA-N 440.566 1.505 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)C1 1761545670 HQHALSQENLFPIY-NRFANRHFSA-N 425.493 1.440 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1769585825 CFAAFIAEJVJBSC-OPYAIIAOSA-N 440.548 1.921 30 10 IDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1771044574 HSXLJVPPVKSGDU-UHFFFAOYSA-N 429.500 1.790 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1771112060 FFPOXGIRPAGING-IAGOWNOFSA-N 440.570 1.310 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1772566809 WWDXAXRRQCMJNL-KRWDZBQOSA-N 448.568 1.968 30 10 IDEE CCC(CC)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854320929 KJHMHHZNSUTTFL-GOSISDBHSA-N 432.546 1.428 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3ccccc3Cl)C(=O)O2)CC1 1856653573 XTTVWVHLMRRMNQ-INIZCTEOSA-N 425.894 1.795 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cn(CCO)c(C(=O)O)cc3=O)cc21 1857882636 DTFCQUKEHLLVER-CYBMUJFWSA-N 442.424 1.100 30 10 IDEE C[C@H](C(=O)O)n1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C(=O)O 1857884204 IAFMDSVZRRARON-SECBINFHSA-N 431.426 1.631 30 10 IDEE C=CCOc1cn(CCOCCO)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870387060 OIZYKSPJMIFUFR-UHFFFAOYSA-N 431.508 1.883 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc(Br)c2)c(=O)cc1CN1CC(O)C1 1870432671 NVXFCQAQLOLKCE-UHFFFAOYSA-N 448.317 1.991 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cccc(F)c2)[nH]1 1871547565 QTIRGBXKDSIOEO-UHFFFAOYSA-N 443.508 1.884 30 10 IDEE CCCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4F)CC3)nn2)CC1 1890265829 VKSDIWXSBNDWMZ-UHFFFAOYSA-N 437.523 1.982 30 10 IDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891421256 VIBREJLTHUIROB-LJQANCHMSA-N 436.534 1.599 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1904844908 NGSICWLBXVBXAH-BZUAXINKSA-N 427.546 1.298 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1(O)CCC1 2022938440 XKWILKYHBVFNRP-HUUCEWRRSA-N 438.525 1.766 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2085300093 FNJMRFYDWRZGJG-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2124520880 ZRUCWTDEVVQZCT-OAQYLSRUSA-N 448.329 1.740 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243686664 PFSZHZUEBZRYCN-LLVKDONJSA-N 427.332 1.657 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413447 WYFVKUUXCASYKO-FZMZJTMJSA-N 441.359 1.333 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)O 2248576698 GSAWSILPLIEXNL-CYBMUJFWSA-N 426.250 1.877 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598195 VIIDEWHRBGFPSN-WDEREUQCSA-N 430.236 1.238 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834285 MFDQTHOKAYBRMA-UONOGXRCSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255861723 OMKZOZJSEVVQLR-UHFFFAOYSA-N 432.326 1.697 30 10 IDEE Cc1c(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266992219 QIPIERNTFWWJCP-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(Cc3ccccc3)C(C)(C)C2)n1 2267114116 DHPJMVRCGCKUDE-QGZVFWFLSA-N 439.369 1.897 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 2267183174 MAEQOGREEQTGKF-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267269719 GUOKIVXIOKCDEK-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)C1 2267808760 CLDAQCGDPIRHIV-RDJZCZTQSA-N 448.325 1.401 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267871880 FARSNLXCSBYZCQ-UHFFFAOYSA-N 444.301 1.198 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@H](C#N)CC12CC2)NC(=O)OCc1ccccc1 2288539207 GXYARORTBSDZCY-IRXDYDNUSA-N 435.502 1.552 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccnc1 2296626438 QSDZZFZZKMVZKL-HXUWFJFHSA-N 439.516 1.576 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2300304532 NEJQSIGNDOEHFC-QWHCGFSZSA-N 439.343 1.152 30 10 IDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320553976 CVINSJVYEJTCID-KGLIPLIRSA-N 438.309 1.738 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2341156619 GRIAMUHPXSXEIJ-OFQRWUPVSA-N 446.357 1.847 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)cc1 21315571 YKMLNKWEKCSLHQ-SSDVNMTOSA-N 427.490 1.561 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)OC)cc3)cc2C1=O 26389290 VHKNYZGNPHOTAZ-UHFFFAOYSA-N 429.454 1.903 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1c(F)cccc1Cl 72443769 WPFARNSLLXALJI-GXFFZTMASA-N 444.854 1.488 30 10 IDEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)s1 103221033 GJXKWWHMIWMHCJ-FXBHHXAOSA-N 428.514 1.909 30 10 IDEE CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCS1(=O)=O 428697097 YHLHJZBZNKEYKX-UHFFFAOYSA-N 427.548 1.308 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2c2ncnc3sc(C)cc23)CC1 432819252 FXTSFMQJUAKZIZ-QGZVFWFLSA-N 428.562 1.415 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccccc2C#N)c1=O 440375059 CCYXOJLIDHORIH-UHFFFAOYSA-N 432.505 1.947 30 10 IDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460370543 MIRUQQJDZWLBNK-QGZVFWFLSA-N 430.557 1.761 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(N2CCCCC2)CCN(C)CC1 465287528 WZTNGQMXKCTMLH-LJQANCHMSA-N 440.596 1.519 30 10 IDEE CCN(C(=O)COc1c(Br)cc(C#N)cc1OC)[C@H]1CCS(=O)(=O)C1 479958492 CFCINWCZYLOTMY-LBPRGKRZSA-N 431.308 1.744 30 10 IDEE COc1cccc(N2C[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c1 506065339 XOCCJPBHFQEXOW-QGZVFWFLSA-N 427.482 1.403 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 514644851 CIWXTUQPYCYSBL-HNNXBMFYSA-N 429.567 1.584 30 10 IDEE Cc1ccc(C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)cc1S(=O)(=O)NCC#N 518182040 XNKUCHQVZWNUPR-LJQANCHMSA-N 433.578 1.039 30 10 IDEE C[C@@]1(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)NC(=O)NC1=O 522455728 QBSJWBMGEQSYPL-QFIPXVFZSA-N 433.472 1.040 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 533215726 KVXWANBEPZPVAB-UHFFFAOYSA-N 428.533 1.977 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)sc1Br 538939942 WYTMOZQAISDARZ-UHFFFAOYSA-N 428.337 1.992 30 10 IDEE COCCNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544891345 SGFCOCMYQGCWRZ-UHFFFAOYSA-N 444.517 1.232 30 10 IDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 549705946 OMQINSLTLQHLKI-QGZVFWFLSA-N 445.593 1.899 30 10 IDEE COc1ncccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 555083668 GCQYYUYMGYHUHM-UHFFFAOYSA-N 428.514 1.721 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)CC1 605410070 ISRVJJGUJSRVPO-KDURUIRLSA-N 429.565 1.748 30 10 IDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 670198842 ZXSGMYGPYGBJOX-UHFFFAOYSA-N 428.537 1.749 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4c(cccc4S(=O)(=O)NC)C3)cc2C1=O 671886402 WSULYVOLBMYALV-UHFFFAOYSA-N 439.493 1.575 30 10 IDEE CCc1ccccc1-n1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccoc2)c1=O 727416495 SDFOSOFGCQSVSQ-UHFFFAOYSA-N 437.521 1.710 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(-n4cncn4)cc3)cc2)CC1 727971834 LCZOQMAMYYUSKU-UHFFFAOYSA-N 425.518 1.649 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730141689 KPDCRJGQZSKUOK-KRWDZBQOSA-N 437.541 1.351 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 769856500 YILUGXYOFUIPPM-INIZCTEOSA-N 435.955 1.674 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 778446716 DKIRTZQAVATLBO-UHFFFAOYSA-N 436.537 1.886 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2c(S)nnc2-c2ccc(OC)cc2)n1 790105458 JVBZZTNGZPJDBK-UHFFFAOYSA-N 440.529 1.747 30 10 IDEE C=CC[C@]1(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCCN1C(=O)OC(C)(C)C 790193262 AFXCMTTZDCXSBM-DYESRHJHSA-N 441.594 1.664 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800771483 BSYZZGVYJKXWJD-SFHVURJKSA-N 441.561 1.558 30 10 IDEE NC(=S)NN=C1C(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccccc21 1080436562 HZNIOJUSDMBXHW-UHFFFAOYSA-N 432.303 1.972 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1154093445 XYEWAFVUVVMBIG-MXVIHJGJSA-N 445.585 1.916 30 10 IDEE CCn1c(=O)c(=O)n(Cc2c(C)cc(C#N)cc2C)c2cc(S(=O)(=O)N(C)C)ccc21 1165249717 PKGKNKKNPWLUGY-UHFFFAOYSA-N 440.525 1.970 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2cccc(NS(C)(=O)=O)c2)c(=O)c1C#N 1183324339 GFRVFDUFPUVYKO-UHFFFAOYSA-N 439.291 1.855 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(CO)(NCC4CC4)CC3)C2=O)cc1 1183868471 VTZIUPCZDNADMS-IBGZPJMESA-N 439.516 1.116 30 10 IDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1212477590 HNDAOXWTBJHAOO-INIZCTEOSA-N 432.564 1.228 30 10 IDEE N#CC1(CNC(=O)N2CCN(c3ncc(I)cn3)CC2)CCCC1 1230581843 CKYZOENFYSYJAM-UHFFFAOYSA-N 440.289 1.997 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)cc2C1=O 1272586314 JJQSVGBGGFNBEU-ZIAGYGMSSA-N 435.402 1.951 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286314434 ONYMCQIZNGHSNU-MRXNPFEDSA-N 436.476 1.998 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1286353107 QVZRVNFJMRWRGU-SJORKVTESA-N 446.552 1.667 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CS(C)(=O)=O)c1 1286414614 AEWMFBZFDCXLML-UHFFFAOYSA-N 439.541 1.066 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286428684 FENHPNIQADMXSK-RTWAWAEBSA-N 440.592 1.925 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=C)Br)CC1 1286480437 WPZCAJHVLOVQAT-UHFFFAOYSA-N 433.310 1.670 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286638228 XIIPJSFUDJGITK-KURKYZTESA-N 440.614 1.544 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1286772414 CZNPNFLHNREDIK-OAHLLOKOSA-N 435.550 1.734 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2cccnn2)CC1 1286790246 LPNSGAUHKYCPPK-UHFFFAOYSA-N 448.531 1.318 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](COC)C1 1286821622 QRWXTINHQWVOTN-SFHVURJKSA-N 438.525 1.460 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)[C@H](C#N)C1 1296166327 GDDOEKGTJCFGSD-UKRRQHHQSA-N 449.508 1.627 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300365203 REJBMODBZLNFFK-PMACEKPBSA-N 448.637 1.200 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(NC(C)=O)nc1 1300459480 STSCZFAAUNKWJH-UHFFFAOYSA-N 445.531 1.923 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1300591908 XYSJOYHSIYHBRC-UHFFFAOYSA-N 448.571 1.793 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](C)N(C)C)CC1 1300688694 JKTVHOPKGCGGMT-KRWDZBQOSA-N 442.564 1.676 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1300872654 GSBWUZRCCFWSOO-QZTJIDSGSA-N 432.569 1.702 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccn2)CC1 1300997364 VKMAHUHMZMCYJS-UHFFFAOYSA-N 437.552 1.849 30 10 IDEE COCC1=CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301195571 WCSZAIAHGMTYBE-RJCBAWPRSA-N 428.493 1.091 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1301499073 WVWFJQKFBTUJSB-UHFFFAOYSA-N 438.532 1.906 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1301952181 HVEGNEZQJBAPFD-XNJGSVPQSA-N 426.568 1.453 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1302250326 OJGWKAKJITVGKT-SFYKDHMMSA-N 438.532 1.988 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 1302424155 SAIJRSOQCTUDCO-SFHVURJKSA-N 439.515 1.687 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(Cl)nc1 1303836113 HZUIDJNPQVASBO-BDJLRTHQSA-N 427.893 1.427 30 10 IDEE Cc1ccc(C(=O)N2Cc3ncccc3N3CCC[C@H]3C2)cc1S(=O)(=O)NCC#N 1304757369 MIWKDWSBCLORMW-KRWDZBQOSA-N 425.514 1.817 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCN1CCC[C@H]1CO 1304856598 OVRSNAGEOJSCGN-HKUYNNGSSA-N 439.568 1.200 30 10 IDEE COC(=O)c1ccc(CN(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)nc1 1307874584 FZTTULCGQWSGQP-OAQYLSRUSA-N 439.491 1.848 30 10 IDEE CCCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313488324 RMKWUNISVBQXSH-AWEZNQCLSA-N 443.508 1.063 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1358903756 ITGNWAIJLYWAMV-KRWDZBQOSA-N 435.536 1.597 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C 1358968776 YJLSFMBUYGVWGJ-OPAMFIHVSA-N 441.919 1.474 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCn2cc(C)nc21 1359018236 IXTBSJFNBYLCNJ-GOSISDBHSA-N 425.537 1.683 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCc2cn[nH]c2)CC1 1359046821 HJEBZLIXTQUTAQ-UHFFFAOYSA-N 447.543 1.831 30 10 IDEE C=CCn1c(COc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359289942 WPEVHFCCUZUCGY-GOSISDBHSA-N 428.468 1.949 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@H](C)C2)C1 1359313132 HKWDLJKODBJGIK-LTIDMASMSA-N 427.571 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 1359329785 UWUQJSWRMJVREZ-UHFFFAOYSA-N 431.562 1.993 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC 1359331046 LPDHLNBBSUKMEC-UHFFFAOYSA-N 430.534 1.639 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1360206599 BMDWMKWRJXBXOA-FQEVSTJZSA-N 435.504 1.725 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cnn2ccccc12 1360693330 GWJKISNYTYKYKH-QRWLVFNGSA-N 442.549 1.714 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc4nsnc34)CC2)cc1 1441010185 MDJLAAQINMPLKD-UHFFFAOYSA-N 427.511 1.639 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCOC)c1 1446552161 HDNMUQZJWKRGMX-NRFANRHFSA-N 442.537 1.587 30 10 IDEE N#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1449521310 RUSZMNJAUSOYNV-LLVKDONJSA-N 429.285 1.481 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H]2CCCN2C[C@@H]1CO 1455305470 MNLJSHTZSFGQJR-LSDHHAIUSA-N 438.322 1.766 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2c(C)nn(Cc3ccccc3)c2Cl)c1=O 1458857041 HOYXBKFWMZUUPZ-UHFFFAOYSA-N 427.892 1.799 30 10 IDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1463852475 PKCIZKUPYLYRKY-SFHVURJKSA-N 432.484 1.613 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 1474954029 HEZDOYIVWHERJI-SNVBAGLBSA-N 426.214 1.762 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1507676697 QBFHZANBVMMHOO-WOJBJXKFSA-N 437.548 1.871 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@H]1C 1507707790 DBKVGUIMWFMZMP-KSFYIVLOSA-N 428.489 1.342 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccc(C)cc2)CC1 1507722343 UVZGGWYARGVRRZ-RTBURBONSA-N 444.605 1.756 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCn2ccnn2)CC1 1507731930 FLQAQHKDQAOLBA-UHFFFAOYSA-N 434.548 1.857 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507797786 MOIRURUJQQATAL-IPLXSBJHSA-N 434.537 1.514 30 10 IDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1508158568 LUHBCMSTYGSHOQ-UHFFFAOYSA-N 439.589 1.946 30 10 IDEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1510014246 NFYFTORVWAHSBZ-KRWDZBQOSA-N 437.552 1.057 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(C)CN(C)C1=O 1513021640 YRXQZZROVINSDK-NYHFZMIOSA-N 439.568 1.510 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1539201631 BDNKJUJRMMVDGZ-HRAATJIYSA-N 433.578 1.213 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCN1CCCS1(=O)=O 1539238780 BVEPESDJOCRACS-HXUWFJFHSA-N 425.558 1.928 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1539444183 IKPZKQZAQGQJHQ-FQEVSTJZSA-N 447.518 1.579 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccnc2OC)CC1 1539476370 XFVUYNKVSJRHRO-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1539481631 CCQXLYNLRVJJOA-UHFFFAOYSA-N 444.624 1.678 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540865586 LHQIDEUAHMMZAL-GOSISDBHSA-N 431.562 1.823 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 1563975029 RUAIRUXQUVKCIT-UHFFFAOYSA-N 433.578 1.218 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2cccc(Br)c2)CC1 1564029131 NZQQCJQGRHRQHC-UHFFFAOYSA-N 443.367 1.177 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 1586056444 XVVHBUGUNSETBD-UHFFFAOYSA-N 431.493 1.860 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)Cc1ccon1 1587657496 TUEWWZRXAJWFMX-ZDUSSCGKSA-N 449.562 1.199 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588028939 AULDXRKMHPYFJJ-HNNXBMFYSA-N 433.582 1.597 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(F)cn2)CC1 1588954343 FXMUEEHENFCMFE-UHFFFAOYSA-N 433.491 1.812 30 10 IDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593649733 BHFHXUBDNZARKB-UHFFFAOYSA-N 443.533 1.480 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1594923491 PLDXWJWMZQGVLT-UHFFFAOYSA-N 428.537 1.749 30 10 IDEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1595348538 UXBOGYGSBSDOIL-HOTGVXAUSA-N 436.306 1.984 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1595545592 YZEAZPOSRVQHCN-OAHLLOKOSA-N 444.561 1.545 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C(=O)NC 1595639998 QOIOKANTNAIACD-QGZVFWFLSA-N 440.548 1.946 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)C1 1595664321 BHNTWWYKTRFWOE-IBGZPJMESA-N 432.569 1.408 30 10 IDEE C=CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1611325931 BAAIAOPDWLCQFY-UHFFFAOYSA-N 429.564 1.063 30 10 IDEE C#CCN(Cc1cc(=O)n2nc(N)[nH]c2n1)[C@@H]1CCOc2ccc(Br)cc21 1615535763 MYMWKGURSXUUGW-CQSZACIVSA-N 429.278 1.721 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(F)(F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1619990184 PFSWLYLYMVWUBW-BVFVFODLSA-N 440.451 1.374 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(Cc2ccco2)c1C 1620635156 DYUPGOVZLXFQFR-HRAATJIYSA-N 441.513 1.427 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ncccn2n1 1626712928 BATVVVAKQWNSQX-CQSZACIVSA-N 427.490 1.038 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 1628940421 BHPRWKIBVXMBJY-UHFFFAOYSA-N 431.558 1.254 30 10 IDEE CCOCCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H](C)C1 1629011475 WYTSBXFPOGAAMS-DNVCBOLYSA-N 425.526 1.990 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1632218578 FLYDPPFJYZCYIV-NRFANRHFSA-N 443.463 1.894 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2ccc3c(c2)OCCO3)CC1 1635906598 HXDPGXVVTGALNC-AWEZNQCLSA-N 427.482 1.802 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1636179916 ROACGFWFAJTEKK-UHFFFAOYSA-N 442.560 1.870 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 1637034589 MDDHRTNQTZHGAG-GFCCVEGCSA-N 426.336 1.698 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CC2)C1 1639651739 OQCCCVNOOBPUCF-UHFFFAOYSA-N 426.441 1.883 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1640163693 NIJSERBZQIJIEF-MRXNPFEDSA-N 429.498 1.695 30 10 IDEE N#Cc1cc(F)c(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c(F)c1 1641001644 IFEHEMGSYKJLPX-UHFFFAOYSA-N 434.468 1.573 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1 1643415577 GONSSQCPFGGBKX-NRFANRHFSA-N 437.521 1.444 30 10 IDEE C=CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)C1 1644589249 OIVJSMWVXPOFKS-UHFFFAOYSA-N 443.547 1.771 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCc3c(sc(N)c3C#N)C2)CC1 1646250959 NBCATSTWZOPBEG-UHFFFAOYSA-N 449.558 1.792 30 10 IDEE CCOc1ccccc1[C@](N)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(F)(F)F 1648921623 ITEQEFIDCGZLMU-SFHVURJKSA-N 437.378 1.019 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1649540210 USCOSCMREMEWFZ-NPPFBWRTSA-N 428.537 1.789 30 10 IDEE C=CCN(C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)[C@@H]1CCS(=O)(=O)C1 1652734934 KLHPJTXEZLIUKI-MSOLQXFVSA-N 446.491 1.842 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1663955606 YDMOJSPVXFZHRB-UHFFFAOYSA-N 431.480 1.335 30 10 IDEE C#C[C@H](NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1CCOCC1 1682293404 NGLUPURDXRCQQV-CTNGQTDRSA-N 431.508 1.571 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 1683557360 DNDVFAIIHWXEAF-OAHLLOKOSA-N 449.964 1.473 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 1683562905 GWEWZZARVXSVCN-SJORKVTESA-N 444.561 1.384 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccc(C(F)(F)F)cc1 1683767999 PKKPZDXTOKWTSX-MAUKXSAKSA-N 437.466 1.992 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCc3c(CC#N)cccc3C1)CCS2(=O)=O 1687799232 IHQCKEUHMHZNRD-WUZYXKQASA-N 445.541 1.719 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1689926596 TUKGXLOCPRALMW-MRXNPFEDSA-N 435.532 1.907 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689979942 JNZFPLMPCWPTHT-DZLKFECGSA-N 426.608 1.720 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1689990169 MFHITRSGOJQSOO-WBVHZDCISA-N 449.602 1.866 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689993844 MLECZFWUKVRWHG-WMZOPIPTSA-N 449.602 1.687 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689994419 XWGQADVVQDPHMR-HZPDHXFCSA-N 426.539 1.542 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)c1cc[nH]n1 1690012243 WMMGVHXONFNVID-UHFFFAOYSA-N 439.483 1.357 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1690019066 ADBQSRGIIYUZBC-KRWDZBQOSA-N 433.559 1.102 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(OC)OC)c2)CC1 1690120407 UAMBUWIVWXCCOM-UHFFFAOYSA-N 435.532 1.774 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690129072 OJPKOKNIWBNBPA-YTTGMZPUSA-N 448.596 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690252630 HCGHSOXPJFQNRW-WBVHZDCISA-N 432.525 1.316 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(=O)NC)C1 1690254784 ISVQAAVVSXSMOQ-KYGACCNGSA-N 447.580 1.946 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1690300624 GYPULFJNRLXWJF-AHRSYUTCSA-N 439.582 1.488 30 10 IDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1690339982 BGKZKJHEZYVWLV-QGZVFWFLSA-N 447.971 1.756 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)C1 1690699510 GDHSUNCOVRNBRE-ROUUACIJSA-N 434.566 1.328 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1692741072 ICANPXIBSQZOOG-LAPQFRIASA-N 435.504 1.832 30 10 IDEE CCOc1ncccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1696180258 XGNFDMFMZNENOL-AVRDEDQJSA-N 442.520 1.889 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCC1 1698166162 KILKLMHKLPHMFR-KRWDZBQOSA-N 441.536 1.510 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1705494496 AVCURIZOVSRXNC-APWZRJJASA-N 447.561 1.920 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705567101 UCUSXTLKZWNVBF-QZTJIDSGSA-N 443.577 1.236 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1705581272 ZBWHMEQFYZRTTC-NRFANRHFSA-N 426.546 1.472 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705613836 QKSXRSTVLVCJHQ-SFHVURJKSA-N 431.562 1.930 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@H](C)C1 1705627045 RXMXTEMIBMBAMB-KRWDZBQOSA-N 428.537 1.824 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CC(OCC)C1 1705628887 ROZORRQEOSRQRC-WEQDKIBNSA-N 442.516 1.807 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1(=O)=O 1705629955 BACBIDNURIJDIB-SFHVURJKSA-N 434.566 1.193 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)O)CC1 1705651369 UOMXNVJKLVDKLH-UHFFFAOYSA-N 429.496 1.733 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705738242 QKIAOEPWIVUXCP-LJQANCHMSA-N 430.597 1.956 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCOCC1 1705864192 UAKVPXPNQSBWRA-UHFFFAOYSA-N 444.561 1.627 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)NC)CC1 1705902698 LPYNJTPXUZSZAQ-UHFFFAOYSA-N 435.891 1.501 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908501 CSEMLVRTLFEFNH-HRCADAONSA-N 434.541 1.576 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1(O)CCN(C(C)C)CC1 1712454395 DTQSVZPAVHLVFW-UHFFFAOYSA-N 430.557 1.280 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1712692215 NWAWPLYNMTVYKA-UHFFFAOYSA-N 433.534 1.229 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1722369483 ZVKKXOIPYLCDHN-MRXNPFEDSA-N 447.586 1.664 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)N1CCOCC1 1722506008 BRSLRIIZRDMZOW-UGKGYDQZSA-N 440.548 1.540 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1722681106 GOIAGOAOHZSVMB-RXAIFQJESA-N 430.596 1.120 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CCC(=O)NC 1722689491 UMKRVMVHNANJEK-UHFFFAOYSA-N 435.326 1.582 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1722726223 ZEYYWROXGIDRAG-HZPDHXFCSA-N 425.555 1.165 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1729107029 BJDBWIFOQKLJML-SFHVURJKSA-N 438.532 1.962 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1729485125 BCXJPTYSKBAIJI-GOSISDBHSA-N 427.505 1.743 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1729740925 DJTGDPYHTWVOEL-LJQANCHMSA-N 444.561 1.761 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1730947337 UJBBNIFTMHIKIY-DJPFJPOOSA-N 443.483 1.846 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1740543044 HWYFRCZXAIGNOW-CVEARBPZSA-N 425.489 1.627 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 1740591298 NQVLXYCZNZKVKI-FQEVSTJZSA-N 438.532 1.462 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1740618536 IUXDIEMBOXPMGL-HNNXBMFYSA-N 429.506 1.133 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740625659 OUVFFTRXRJOZQA-MOPGFXCFSA-N 427.530 1.236 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1OC 1740644677 PDCSNEOUGJKOGZ-LPHOPBHVSA-N 426.521 1.428 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N(C)C)c1 1740687797 HATMNOVOUUEBSB-UHFFFAOYSA-N 438.532 1.237 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)C2CC2)CC1 1740697771 LRKHCQWTATWGRE-UHFFFAOYSA-N 438.532 1.244 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2([S@](C)=O)CCC2)CC1 1740698581 XQSLZMAJKCJNEE-LJAQVGFWSA-N 432.619 1.690 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740704785 XRGODOVZUWPFQU-KOSHJBKYSA-N 437.544 1.759 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1740773689 BCCYMBLRUMONET-MOPGFXCFSA-N 438.642 1.609 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1740774636 XBLIMQPOEAJRCC-IAGOWNOFSA-N 425.555 1.359 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1740863559 AREKNSBMBYIHLW-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740955680 CHYAFXKXKJCOFC-OAHLLOKOSA-N 426.496 1.881 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1740961776 ILEVYBJSULFCEN-UHFFFAOYSA-N 448.453 1.955 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(O)cc2)C1 1740972936 OYPGGSGUNSRXLT-MAUKXSAKSA-N 435.550 1.618 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC)C1 1740973735 CPSKCIHOKURACH-MRXNPFEDSA-N 433.534 1.266 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1740999787 GYHAORKIDRBAIS-HNNXBMFYSA-N 437.529 1.840 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCc2ccco2)CCOC1 1741124462 FJXGNNAYVDKXHV-IIBYNOLFSA-N 430.509 1.824 30 10 IDEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 1743190782 CVOSZOJPUHDMLH-UHFFFAOYSA-N 428.562 1.783 30 10 IDEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1745269324 QESCMWAAHUUCOZ-GUDVDZBRSA-N 427.505 1.992 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(=O)NC)CC1 1748738641 LEWYPOLYGBXJCD-UHFFFAOYSA-N 433.520 1.687 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1748830338 UTYYXZQZTGXHJJ-DEOSSOPVSA-N 435.528 1.799 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1748957212 YNQCGEYBPFEWGC-QGZVFWFLSA-N 432.546 1.865 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(O)(CC)CC)CC1 1748984899 VMXHYDDSNKIDBS-UHFFFAOYSA-N 435.536 1.227 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1749664611 UEIFUFHHQSHLEU-UHFFFAOYSA-N 436.495 1.811 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749670369 SEJVZYUVESWXMS-INIZCTEOSA-N 431.566 1.484 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749671189 ZTJVFWONYKQMIX-QGZVFWFLSA-N 433.557 1.406 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1760189979 MVGZXEQPOWDAQU-HXUWFJFHSA-N 433.622 1.979 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1760208692 XXRULVLSOKYEEA-WOJBJXKFSA-N 440.592 1.865 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 1760316241 OSJAGQIQFJTUOO-MLGOLLRUSA-N 435.326 1.953 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760355748 UZDPHWIFXDUJKW-INIZCTEOSA-N 437.570 1.037 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760364872 FAPBROMUDYMIKA-SFHVURJKSA-N 429.974 1.964 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1760440151 CMGMKXGGUMICEQ-QGZVFWFLSA-N 437.570 1.430 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1760548725 NVMZDMLONMOLFZ-HOTGVXAUSA-N 449.508 1.887 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)F 1760753308 UAAMRFDQDABXLA-UHFFFAOYSA-N 433.463 1.783 30 10 IDEE CCc1nnc(N2CCc3ccc(Cl)nc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764851115 ZQDBKASSILHSBM-HNENSFHCSA-N 427.896 1.978 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1771295142 GNVDSBVQSXNJMC-TXPKVOOTSA-N 441.529 1.269 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1771564713 RNAXZBYTQDWYKU-XUVDNFPMSA-N 426.399 1.449 30 10 IDEE Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854419291 ZZNQHKBSHGBFFU-KRWDZBQOSA-N 433.530 1.908 30 10 IDEE C=C1CCCN([C@@H]2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)C2=O)CC1 1854724478 GMWIXZHGBUKBCJ-CRAIPNDOSA-N 428.558 1.939 30 10 IDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1854781153 BJSBPBUEHBNHIX-NVXWUHKLSA-N 431.514 1.389 30 10 IDEE COc1ccc(C#N)c(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c1 1865987955 DLOVPLICRPPZEO-GOSISDBHSA-N 441.465 1.605 30 10 IDEE CCOc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870152301 LAFBRKDORDPOLH-UHFFFAOYSA-N 446.423 1.781 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870502126 ASAMKGUJQBTBKP-UHFFFAOYSA-N 431.518 1.206 30 10 IDEE C#CCOc1cn(CCCCCCO)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871009305 PDHGVGBBWJTMNT-UHFFFAOYSA-N 433.530 1.673 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(OC)ccc3OC)CC2)CC1 1890228885 GYRCUSGJPFMXER-UHFFFAOYSA-N 429.561 1.966 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCCOC1 2124539201 RWOWMOWXHNBBQV-OAQYLSRUSA-N 448.329 1.788 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCO 2130103023 COTVLKPOOMBBFV-ZDUSSCGKSA-N 433.511 1.154 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387734 ZOOANCMSFFTHEK-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243435442 QJUKULKCIYTITD-UHFFFAOYSA-N 448.372 1.782 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632284 LBCIJROAZSKQCB-QWRGUYRKSA-N 430.236 1.381 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255658745 IJAZVSPPVKVVFC-QWRGUYRKSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696547 VNFVBLLJTBDKML-HIFRSBDPSA-N 432.330 1.809 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(=O)NC)Cc1ccccc1 2255837232 LYPXVUNFUAABDU-UHFFFAOYSA-N 426.326 1.591 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](O)C1 2256022457 LGOTUXIVQCPVCO-MRXNPFEDSA-N 433.358 1.986 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCC1 2256063411 VLUSETJNKJOLSB-UHFFFAOYSA-N 432.330 1.953 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)CC(=O)O 2269067536 SBYWKYYABFQCMJ-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)N2CCCC2)cc1 257191277 POQAMYMUFVDMOE-ICSRJNTNSA-N 426.498 1.786 30 10 IDEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)cc12 460686147 DWMKQXJOKFFCNH-CQSZACIVSA-N 437.529 1.677 30 10 IDEE N#Cc1ccc(OCCNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 465995272 BJKMHLYVGQUIHN-UHFFFAOYSA-N 436.534 1.209 30 10 IDEE N#Cc1ccc(OCCNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 466105441 UBPHRHYJIHROFP-UHFFFAOYSA-N 448.476 1.919 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccc(F)cc1 478749618 WGLVZKYNHDJMKI-UHFFFAOYSA-N 439.516 1.843 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cs1 478752716 GVYKSCVUWAWOMT-ZBFHGGJFSA-N 445.566 1.353 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(F)c1 480719970 ZBWXGXBQXKEEIF-VQTJNVASSA-N 442.516 1.716 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(C)(=O)=O)c4ccccc4C3)cc2C1=O 481046461 VKOKYPPVMQHZQK-UHFFFAOYSA-N 439.493 1.891 30 10 IDEE CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nnc2ccccn12 481524230 ZIDZKQZJEDWMAZ-KBXCAEBGSA-N 426.502 1.781 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCCN(C)C 488258922 BFEHPZNLCOTUIA-PMACEKPBSA-N 442.564 1.051 30 10 IDEE C[C@@H](C(=O)N(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)n1cccn1 503680327 NJNNUSFTBIFUGS-YOEHRIQHSA-N 426.502 1.314 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 504204016 UWBQQLZLBUJTCM-HXUWFJFHSA-N 440.525 1.847 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 505970843 LJPHRGZRHUYTBF-GHTZIAJQSA-N 430.549 1.647 30 10 IDEE CC1(C#N)CCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 507825792 OFBCMJGLHWZLOI-UHFFFAOYSA-N 442.335 1.955 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC2CC2)C1 508829309 YRUCHSKBJDGVII-IRXDYDNUSA-N 425.555 1.192 30 10 IDEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518744052 XUNLGTUZPCWHSQ-UHFFFAOYSA-N 426.538 1.426 30 10 IDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 522109456 XFFWTOIHZDYYQX-UHFFFAOYSA-N 430.551 1.596 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(=O)NCCN(C)C 536151432 PJGUVPOQZPOPME-INIZCTEOSA-N 445.383 1.692 30 10 IDEE COc1cc(CNC(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc(OC)c1OC 545503892 IWRIQJXZAVUNDY-UHFFFAOYSA-N 425.489 1.417 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 548852136 YXTDRFKEMBVMCK-MRXNPFEDSA-N 431.518 1.864 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 558986393 LBIRDGWPFLJNRF-KGLIPLIRSA-N 437.488 1.966 30 10 IDEE COCc1nc([C@@H]2COCCN2C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)no1 574189770 MASVPWXIJCITSY-HNNXBMFYSA-N 443.851 2.532 30 10 IDEE C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)c1cccc(C#N)c1 587690675 XWXPXOKAUINTDI-OAHLLOKOSA-N 438.509 1.339 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccc(F)cc1 603786258 HFPLZBMTOVCDBG-UHFFFAOYSA-N 443.525 1.674 30 10 IDEE COCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1Cl 609255986 QLXUGMLNVWBSRJ-UHFFFAOYSA-N 432.839 1.982 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)cc1C 729668278 FJYUUNKNTUZUHI-UHFFFAOYSA-N 429.505 1.413 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 732495474 NCRKYJDDUHGWAN-DJWKRKHSSA-N 438.387 1.850 30 10 IDEE C[C@@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732665931 AVDWJMTTZJFBQF-JTSKRJEESA-N 425.489 1.288 30 10 IDEE CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCC(NC(=O)OC(C)(C)C)CC1 749568632 DCUXZLSVFMQPFW-ISLYRVAYSA-N 435.525 1.990 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 758701102 DTRLHNSHLUAEIV-PNBGARPFSA-N 427.505 1.103 30 10 IDEE COc1ccc(CN2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)cc1 760401794 ZVTMYIYMMLZQCW-KRWDZBQOSA-N 433.530 1.964 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 764305853 XJKAGXVQCZTMAT-JTQLQIEISA-N 435.845 1.815 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772898705 PYNBDLHLLHGDJX-UHFFFAOYSA-N 446.598 1.337 30 10 IDEE COC(=O)[C@@H](OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(C#N)cc1 786998811 FRSKBVZILSPXPC-QUCCMNQESA-N 429.473 1.029 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)s1 787019683 WLYLQXPHRZQITM-GFCCVEGCSA-N 437.499 1.791 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)ccc1F 791208693 NOCRSYYZBIVHNG-GOSISDBHSA-N 449.479 1.960 30 10 IDEE C[C@H](C#N)OCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 801808226 PZNFXYHGZKHCAV-GFCCVEGCSA-N 447.307 1.555 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 809218197 IIAWVQZJWGXEDZ-KEYYUXOJSA-N 436.534 1.739 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 809895997 CCMABAAEVZBJAT-RBUKOAKNSA-N 449.577 1.665 30 10 IDEE C[C@@H](OC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 815471959 BSBSXLVZWVSWRC-BNOWGMLFSA-N 427.482 1.930 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3cccnc3)n2)cc1 1084038152 IOFQZUGPTWESEY-UHFFFAOYSA-N 446.518 1.414 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4c(O)ncnc43)CC2)cc1 1132572121 HTWDUZTWUOIMDJ-UHFFFAOYSA-N 427.486 1.434 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)cc2S1(=O)=O 1132857700 NBKQLWKFBFYRSI-QGZVFWFLSA-N 425.466 1.246 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2nnc3ccc(Br)cn23)cc1 1141013907 VSVDOCJDPBWITD-UHFFFAOYSA-N 449.290 1.936 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)NCCN3CCCCC3)CC2=O)cc1Cl 1157971173 HVJQJDIDWYCNEL-INIZCTEOSA-N 431.924 1.283 30 10 IDEE COc1ccc(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1195876634 LNQVNXCVXVNIKS-SFHVURJKSA-N 446.529 1.421 30 10 IDEE C#C[C@H](NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)[C@H]1CCCO1 1234636843 OYDFZRNGBGJASD-YESZJQIVSA-N 435.521 1.799 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(N(C)S(C)(=O)=O)c3)CC2)c1C#N 1251517125 NGDLAASUKXGICE-UHFFFAOYSA-N 445.549 1.028 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1270241911 CQRRBFATUIIXDA-SJORKVTESA-N 432.502 1.189 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1286298964 ROAFBDUIFULJJR-CRAIPNDOSA-N 432.546 1.978 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286385218 LGJKPIUDSNPOIJ-KRWDZBQOSA-N 433.509 1.806 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286386836 IFUPEYMFINZHLM-CKJXQJPGSA-N 448.520 1.251 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286425197 WKVNDKZSYRZHQO-INIZCTEOSA-N 446.964 1.738 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC1 1286462657 QGMXKQSMOJECHV-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286611340 JPJCPRMCSSJKLO-IAGOWNOFSA-N 432.525 1.585 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286711604 NJSUSOPIZYKFGK-BRWVUGGUSA-N 428.555 1.013 30 10 IDEE CCc1nnc(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1292893191 LXKLLWVMJPHZGW-JXFKEZNVSA-N 425.537 1.732 30 10 IDEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cccc1S(=O)(=O)N(C)C 1299292736 MHHKKNLJCTYLHE-UHFFFAOYSA-N 439.490 1.934 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)CCOC1 1299801683 VXTTXVCVQGRYIA-FQEVSTJZSA-N 433.534 1.493 30 10 IDEE COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCCC1 1299809933 HWMATGMCGXOQNI-JKSUJKDBSA-N 440.570 1.309 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccncc2)CC1 1300471555 GHXGDHQUWGEOQC-UHFFFAOYSA-N 447.591 1.816 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1300497145 XPEVAFMBZAYLHS-CEXWTWQISA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(C)CN(C2CC2)C1=O 1300547451 MMEMXWVREWXSNJ-DEOSSOPVSA-N 433.512 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1300579174 SDPDYXWTJFNHBD-KRWDZBQOSA-N 443.529 1.104 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(Cl)c1 1300653823 OVOKUDAZSNKPDC-ZDUSSCGKSA-N 443.932 1.815 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2COCCO2)CC1 1300691399 XIMPKLIJQJZNMN-SFHVURJKSA-N 427.505 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C)on2)CC1 1300729322 VRAXNEOFRIOJGU-UHFFFAOYSA-N 439.545 1.944 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1300743110 YRWKQZYYEPKGIW-UHFFFAOYSA-N 427.983 1.950 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1300875477 PHLKMHSIEDCUOL-ICSRJNTNSA-N 446.596 1.699 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1301491508 RVAVBIBVUWWYLJ-UHFFFAOYSA-N 447.543 1.609 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301579826 YODABAMPTCKJGS-UHFFFAOYSA-N 432.550 1.323 30 10 IDEE COc1ccc(-c2nn(CC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2C=O)cc1 1303334209 ADJDGQXQEUFPAS-UHFFFAOYSA-N 430.468 1.987 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCO[C@H](CS(C)(=O)=O)C3)c2C#N)C1 1308116741 JLXRSHHIOHFLQM-KGLIPLIRSA-N 425.576 1.819 30 10 IDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)n1 1309465051 TXJGFMUMWKWHES-UHFFFAOYSA-N 443.298 1.728 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21 1312353823 LRLVGAFRFCUOLG-CYBMUJFWSA-N 433.452 1.969 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1314529300 BGEXFUQEYXEQFG-KRWDZBQOSA-N 428.518 1.062 30 10 IDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccccc2F)CC1 1316535211 GEEJUYZCCQFSHF-UHFFFAOYSA-N 439.495 1.710 30 10 IDEE C=CCN(C(=O)c1cnn(C(C)C)c1I)[C@H]1CCS(=O)(=O)C1 1352905049 LAUUAFIHSKNZCT-NSHDSACASA-N 437.303 1.884 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358963702 MQKHESUGLDWGMM-ROUUACIJSA-N 436.578 1.494 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1358967969 WREMEZBHJMZRTC-MRXNPFEDSA-N 435.575 1.607 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1359035510 VYSMHXPATSBRPY-QGZVFWFLSA-N 447.465 1.641 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](CCC)OC)CC1 1359038167 MMXISMQBXHMFAX-QGZVFWFLSA-N 430.578 1.840 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1359098222 YSJXKLZZTDPLEK-YJBOKZPZSA-N 432.550 1.730 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359221570 GWIWPBGOXYCQQB-HXUWFJFHSA-N 437.566 1.122 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1359222426 IKRABQUAZQTTTI-OLZOCXBDSA-N 441.476 1.249 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359227841 NRRJGMOEWWFLTP-HZPDHXFCSA-N 426.539 1.162 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)C1 1359313667 PRDHQOUWDPJEOI-ZBFHGGJFSA-N 436.538 1.122 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1360475750 DGZAMTLRZJQYFU-YJBOKZPZSA-N 439.520 1.483 30 10 IDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(Cl)cn1 1463834571 FYUYQJNNSSGSHY-UHFFFAOYSA-N 435.893 1.838 30 10 IDEE C#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CCCC1 1471525839 MVCZGNYKHVUYSN-UHFFFAOYSA-N 447.557 1.371 30 10 IDEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503834745 DURTVUXSXHVEPU-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1507634091 KYWFIDZSRNZHAP-AWEZNQCLSA-N 438.504 1.879 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1507634755 MGNQIRBEOSUHEK-FQEVSTJZSA-N 433.622 1.979 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507635165 PZBSILPKIITTPM-RDJZCZTQSA-N 435.575 1.297 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507721915 VGEBKXBVQZQCTO-UHFFFAOYSA-N 448.980 1.716 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1 1507723221 ZXUNXIWUVGXISQ-QFIPXVFZSA-N 433.560 1.419 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCCC)C1 1508120102 YWVOQMLHNLYTNH-QGZVFWFLSA-N 447.561 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc2ccccc2[nH]1 1508140920 RDQCSHUIGLZRAD-SFHVURJKSA-N 442.545 1.948 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1518765350 NLHYITACQNJGRZ-NEWSRXKRSA-N 442.495 1.961 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1539012786 GIPWNGMHZFQDOC-ULQDDVLXSA-N 432.550 1.039 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1539249950 GOFPXPDNPCUMRI-ZZEZOPTASA-N 435.875 1.593 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC 1539301357 OXMMCZDHIGGIMC-UHFFFAOYSA-N 438.351 1.933 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539870956 FASHOOSCDNBRGV-HXUWFJFHSA-N 439.582 1.149 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540035441 CNFPOLDDVRPDIS-KRWDZBQOSA-N 441.598 1.625 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C)C1CC1 1540109039 NUIQNVCIKOAVSC-RYRKJORJSA-N 439.582 1.438 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1540162387 PQZMSZCAOYDUBV-UHFFFAOYSA-N 446.529 1.792 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCCC2)CCOCC1 1541657156 BVPGKUJURQSTAA-HXUWFJFHSA-N 433.532 1.503 30 10 IDEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1543407439 DXBMJGSJZRYTFI-UHFFFAOYSA-N 435.488 1.941 30 10 IDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1544065890 AJZUEKJGEIURPX-BDXSIMOUSA-N 436.582 1.029 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1544773280 YACPWXYJNNKXSW-NXHAUGRDSA-N 426.452 1.836 30 10 IDEE COc1ccccc1O[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1555092963 BKNQBENDNDFUGL-BZUAXINKSA-N 426.477 1.434 30 10 IDEE CCN1CCC(N2CCC(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)CC1 1556457379 DUDXTGMHWNRZQV-QHCPKHFHSA-N 437.588 1.972 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 1557239691 FUFNVGYSTFDSEK-FGZHOGPDSA-N 439.560 1.309 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1557965526 HEJZIGJOBVRKHR-QGZVFWFLSA-N 446.614 1.967 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3cc(C(=O)OC)on3)CC2)c1 1558064714 XXSJOFBJRKQSBT-UHFFFAOYSA-N 433.486 1.945 30 10 IDEE C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1559032794 IPGPONZMXKLYEI-ZDUSSCGKSA-N 435.440 1.585 30 10 IDEE COC[C@]1(C(=O)OC)CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1560025071 DJWBIIFMIOYXFT-OFNKIYASSA-N 446.523 1.579 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2)cc1 1565265291 GTZWOATTWUCTOJ-NRFANRHFSA-N 441.576 1.908 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OC 1568154661 NUWWLSNIBGZTJG-OLMNGRFOSA-N 440.493 1.034 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1 1585365498 FCRSLBOFYGDNPD-MRXNPFEDSA-N 438.347 1.935 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588025218 WAVAXMMRXQGUFV-MRXNPFEDSA-N 435.575 1.461 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588045957 URJJBMBQATUBJF-PKOBYXMFSA-N 443.573 1.877 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCC2CC2)nc1)[C@H]1CCS(=O)(=O)C1 1588058841 DJHHTRUZWRHMGL-SFHVURJKSA-N 429.546 1.699 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1588265785 HFYMMNOPNBXYFB-CRAIPNDOSA-N 436.557 1.790 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCC[C@@H]2C)CC1 1588930305 SFQZHZIFGPSOPJ-ICSRJNTNSA-N 428.581 1.622 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](CC)C1 1595497359 YZUYXWMMBWKXHV-MRXNPFEDSA-N 445.520 1.888 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 1616681168 DNAGAOAVRBGAII-MRXNPFEDSA-N 443.525 1.901 30 10 IDEE CC(C)(C(N)=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1618614559 DHMFCYGIGGWANZ-UHFFFAOYSA-N 434.338 1.165 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1620066816 YKHDENPJCOLRKM-KRWDZBQOSA-N 433.534 1.351 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)C(=O)OCC 1622448690 ABUUCGTWCROVRX-OAHLLOKOSA-N 428.898 1.747 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 1624565739 VNCWYZWTHXVYMT-UHFFFAOYSA-N 436.534 1.456 30 10 IDEE C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1)C(=O)OC 1626187524 AKKPILYQWBMFRT-CVEARBPZSA-N 436.306 1.804 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3nccs3)CC2)s1 1626253691 POAZUPAPKGYDAQ-UHFFFAOYSA-N 426.589 1.997 30 10 IDEE NC(=O)c1cccc(CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)c1 1627822861 OESCIZBQJIZYDZ-UHFFFAOYSA-N 440.525 1.795 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1OC 1634782215 GFVHJYJTOKMDNO-XSBJJCPUSA-N 434.558 1.995 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)N(C)C)CC2(C)C)s1 1637384870 QWTQRXXZEWPADQ-UHFFFAOYSA-N 428.580 1.359 30 10 IDEE Cc1ccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1S(=O)(=O)NCC#N 1642974730 LXEPBBCRNYHXRT-SAABIXHNSA-N 447.538 1.532 30 10 IDEE CN(C)CC#CCNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1643409946 ZZSZBNWOUCIHDH-ZDUSSCGKSA-N 426.468 1.692 30 10 IDEE CCOC(=O)[C@]1(F)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC12CCC2 1655036880 SLAZCZSVOUXKIE-OAQYLSRUSA-N 433.484 1.261 30 10 IDEE CCN(CCC#N)S(=O)(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1656731454 BHPIRXIPCMAJPC-MRXNPFEDSA-N 430.571 1.863 30 10 IDEE CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C#N)cc2)CC1 1660993481 YFWZPSBKROWUPB-UHFFFAOYSA-N 430.442 1.903 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCO2 1671495848 XXKNBYQNSXJLHA-OBNJBMLMSA-N 438.525 1.747 30 10 IDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1674098836 FTRATAUZPHMZFH-RTBURBONSA-N 435.594 1.968 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccccc1S(C)(=O)=O 1683992575 ATMYJSUDXWVWPQ-OAHLLOKOSA-N 428.518 1.215 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)c1C#N 1687138828 MUHYELMMPMHFNT-QGZVFWFLSA-N 431.543 1.825 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1690001988 WQOIOYUPTLIANP-UYAOXDASSA-N 446.621 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1690013492 QLQPVMDPFLVNFT-UHFFFAOYSA-N 445.527 1.662 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)CC1 1690120079 FPUXUBQRIYKHIP-UHFFFAOYSA-N 433.516 1.564 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1690130918 PYCVKODKVZEHQZ-YADARESESA-N 439.560 1.367 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2nccn2C(F)F)CC1 1690144431 ZESHZKKXNHUOPM-UHFFFAOYSA-N 441.446 1.341 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1690156193 TZGWWFULBVXUGC-OAHLLOKOSA-N 428.628 1.222 30 10 IDEE C=CCn1c(CC(C)C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1690644385 IGHSJUYBRNZGFI-PMPSAXMXSA-N 439.582 1.789 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690676176 RWDXENXCWRJIJS-MBSDFSHPSA-N 441.532 1.852 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)N2CCOCC2)C1 1690694961 YKGVPMBQXALNGA-GOSISDBHSA-N 441.532 1.984 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1691004310 QORJZLHTXATKLI-ZBFHGGJFSA-N 438.579 1.511 30 10 IDEE CC[C@H](Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1694412169 ZUMJVTGNOAPPBY-WOIUINJBSA-N 432.569 1.920 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705499800 ZCMYBYIAWXCQTJ-MJGOQNOKSA-N 445.589 1.811 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1705568213 JIRPXNXSYODGBX-KRWDZBQOSA-N 448.545 1.507 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1705894664 GYMXGJSCVFABFJ-SJLPKXTDSA-N 426.521 1.685 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2OC)CC1 1705900241 VQHHDQLHCQVIRA-UHFFFAOYSA-N 433.516 1.978 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708288823 DRPSHHNEZFOQGU-LHUAGQQPSA-N 443.552 1.813 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1709906359 ZMQJCDWQZXMZNH-HZPDHXFCSA-N 449.556 1.803 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1710847443 FIHORSNCBFQMRS-PCCBWWKXSA-N 441.532 1.988 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1712389512 ADMPDCHAYXJQRC-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722305890 DYTMDEQIJPLKDV-GOSISDBHSA-N 428.537 1.145 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722364735 AARQLVKDUPTERJ-GOSISDBHSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722368350 QFXNXXFVGAHEKW-FHWLQOOXSA-N 437.610 1.877 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1722370456 LDDOQMPPSRCYKG-MBSDFSHPSA-N 434.500 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C 1722378224 BNKAKKIRUCEAPB-UHFFFAOYSA-N 441.561 1.179 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1722390672 VRTXHJLSBREVPG-KRWDZBQOSA-N 442.541 1.860 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2ncccc2c1 1722428530 HEYOJMOGLZAHEJ-IBGZPJMESA-N 439.541 1.863 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(N)=O)cc2)CC1 1722437489 DNORJVDAVHAJLY-UHFFFAOYSA-N 430.516 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OC)CC1 1722448997 KJPWBJNNZRXPGF-UHFFFAOYSA-N 445.527 1.682 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722487779 WGAVYEPEKKCVBV-OAHLLOKOSA-N 437.342 1.906 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722548727 RAMOFMNNVPGUQX-UHFFFAOYSA-N 428.924 1.933 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722671376 QNXQJGFUSWELFX-HXUWFJFHSA-N 449.559 1.756 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccnc2C)CC1 1722693432 NOEWFAGRVYGUTM-UHFFFAOYSA-N 448.531 1.681 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1C1OCCO1 1723589728 ABMMFRLRCJVCEH-OAQYLSRUSA-N 428.468 1.952 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1Cl 1730957571 ZBZCCEWAHDTYOB-ZOBUZTSGSA-N 448.911 1.858 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1740532332 DMBBIZBISRDCKL-CABCVRRESA-N 433.534 1.360 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1740609601 LUBZHRGFRYXSDU-UHFFFAOYSA-N 430.516 1.669 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740627170 YUSFBQHDEIZDIL-LJQANCHMSA-N 427.530 1.237 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740639769 FPZIRWAITSTSKX-INDMIFKZSA-N 431.562 1.120 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1ccc(C)n(C)c1=O 1740643830 PKHNJIVXSBYDBE-UHFFFAOYSA-N 431.496 1.994 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1740671711 MVLDLXSINZGSMZ-DLBZAZTESA-N 437.541 1.707 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1740692656 NPXGMBCEMGRCCK-ZJSXRUAMSA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1740695388 PINYSVHEMHGGGN-FQEVSTJZSA-N 432.576 1.954 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740717104 JSABPAUUZCHSLH-DLBZAZTESA-N 447.586 1.599 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740723125 NMEWUXCWWUBJDM-MANSERQUSA-N 436.578 1.753 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1740932365 MGVYVMVWIVCNJG-INIZCTEOSA-N 427.571 1.605 30 10 IDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1CCS(=O)(=O)CC1 1740942257 IVMSEGMWEDDYOH-UHFFFAOYSA-N 436.582 1.603 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740957836 BQZLFKIIRLRJCD-KRWDZBQOSA-N 444.496 1.768 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740993515 DKKFXVCXCUMEKH-STQMWFEESA-N 426.461 1.571 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1745341873 NVEGJUWUZCBTMV-JLUOLNIDSA-N 437.504 1.872 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1745792560 WYGHVIMHVNZQQU-HNNXBMFYSA-N 425.493 1.620 30 10 IDEE CCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)C1 1746396298 HGJWUSGVUWCPKS-DFQSSKMNSA-N 438.532 1.519 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1748291574 AOSKWIICWXSNTC-LBPRGKRZSA-N 445.332 1.530 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1748745968 WILOWFHPYAWXJW-OAQYLSRUSA-N 437.592 1.985 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748829374 AQCFHHKIYKGABF-RUZDIDTESA-N 449.555 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCN(C)C2)CC1 1748977831 KGWYULIWSGSFMI-JPYJTQIMSA-N 442.539 1.379 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1748984823 SGYYGVOATRXLEA-FQEVSTJZSA-N 443.573 1.676 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)CC2CC2)CC1 1749004653 LORQHPMWVIQUNQ-UHFFFAOYSA-N 435.594 1.366 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)cc2)CC1 1749009967 YIYNTYLQYIGAHN-UHFFFAOYSA-N 445.527 1.952 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749031809 JUEZTAJOCGETTH-HKUYNNGSSA-N 429.594 1.592 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749034098 WCAWHJVUNRYSNR-HZPDHXFCSA-N 432.594 1.727 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1749493693 JWRKWAIBFCSOFQ-INIZCTEOSA-N 425.530 1.872 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760121929 WKELHGZICGYAHV-KRWDZBQOSA-N 435.532 1.977 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760187549 KBRNQGQATKKIDI-MOPGFXCFSA-N 436.578 1.963 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1760345077 FUTIUTBEHSMRIO-HNNXBMFYSA-N 430.475 1.896 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760354904 RBKOAAMKQRBXBU-NRFANRHFSA-N 427.509 1.680 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1Cc2ccccc2C1 1760514441 GBWQTXMANNQFGV-UHFFFAOYSA-N 431.500 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(COC)CC1 1760517889 BISRGJPJTNFFOJ-UHFFFAOYSA-N 435.492 1.006 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1760548724 NVMZDMLONMOLFZ-CVEARBPZSA-N 449.508 1.887 30 10 IDEE CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1764331601 CXBLQBDKXQCKJK-MEUCICPISA-N 427.509 1.382 30 10 IDEE CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1764808956 GZTWZGCYWWNHIU-INIZCTEOSA-N 426.502 1.790 30 10 IDEE CC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1765185902 NNEXUIOSMKSJSS-YOEHRIQHSA-N 434.522 1.360 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1766197547 CJQJSFVUTTVUBS-SFHVURJKSA-N 438.532 1.996 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1766714831 MCODXGMKMMJGOB-HZPDHXFCSA-N 432.550 1.760 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1768982919 ZGDGXEFDWOPTRJ-SGRLSNSRSA-N 437.504 1.406 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)C1 1770343834 PJYHEEXRPKCGPD-MSOLQXFVSA-N 436.582 1.584 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1770747252 HKEAFMFSVUHWOW-GOSISDBHSA-N 433.509 1.562 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCOC2=O)CCO1 1771538795 IBJSPBYSEVSOEI-HNNXBMFYSA-N 430.440 1.567 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1851961339 FHJRWJMPMKGAKI-KRWDZBQOSA-N 446.573 1.663 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3[nH]nc(C(F)(F)F)c3Br)CC2)n1 1853073645 BIURNLXNKILDJX-UHFFFAOYSA-N 430.188 1.815 30 10 IDEE C=CCC1(S(=O)(=O)N(Cc2cnn(C)c2C)[C@H]2CCCN(c3ncc[nH]c3=O)C2)CC1 1853486016 WBJGIABLUBRGAY-SFHVURJKSA-N 446.577 1.721 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868608402 PWXHOEGGUBFNQK-HXUWFJFHSA-N 440.544 1.943 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC)C1 1901535971 YXFYCIXPGQNFBR-DBWCEAHUSA-N 425.526 1.949 30 10 IDEE C#CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)C(=O)OC(C)(C)C 1985010656 FEPZFXFUZUGSLZ-HZPDHXFCSA-N 425.526 1.591 30 10 IDEE C#CCOCCOCCOCCOCCOCCOCCOCC(=O)OC(C)(C)C 2069488878 XKIYLEMAWXBRGE-UHFFFAOYSA-N 434.526 1.078 30 10 IDEE CN1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2106599706 JFMHQVPPECFPDO-INIZCTEOSA-N 441.303 1.780 30 10 IDEE C[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247901056 DLQRNIVHIGNYDC-OAHLLOKOSA-N 435.355 1.291 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248403184 BXTJVHGBNIHTNV-WFASDCNBSA-N 440.371 1.938 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248404282 LPDAXPLSSBYNPS-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 2255656149 WVBUWJOEJLBVNX-NRFANRHFSA-N 434.346 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2255933991 WOUHPELVSVPDAG-MRXNPFEDSA-N 448.354 1.094 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267138426 XJRBOEOMQKJLNL-CABCVRRESA-N 446.357 1.862 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 2267605902 YLSJMVQAKISMLR-QHCPKHFHSA-N 439.369 1.899 30 10 IDEE CC1(C)OB(c2ccc(O)c(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2267807781 PSXFOVLQSTTYBL-LJQANCHMSA-N 442.243 1.975 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2272633361 LVZXCCQUUKELJU-FPTDNZKUSA-N 444.341 1.763 30 10 IDEE COc1nc(NC2(CO)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317503799 RNXPSZFBUWOSDH-UHFFFAOYSA-N 435.330 1.783 30 10 IDEE COc1cccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1OC 2329054586 ZFJFQMXVVPQJEY-OAHLLOKOSA-N 433.534 1.986 30 10 IDEE N#CCSc1nnc2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cccn12 33300357 SDCYIZCOOYODDL-UHFFFAOYSA-N 432.506 1.995 30 10 IDEE C=CCOC(=O)c1sc2nc(CN(CCOC)C[C@H](O)COCC)[nH]c(=O)c2c1C 36206774 AAUDGXQLSRDGKG-AWEZNQCLSA-N 439.534 1.482 30 10 IDEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCCO)[nH]1 253560383 ASMJZGTWBIUODP-DEDYPNTBSA-N 428.522 1.666 30 10 IDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccc(C(=O)O)c(O)c2)C1=O 254518401 BDXBCSOHLCGHQG-UHFFFAOYSA-N 428.386 1.257 30 10 IDEE CN(C)CCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 462368429 IOARNVLZJPMHFB-UHFFFAOYSA-N 442.950 1.852 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ncc(Br)cn1 486386156 GUYAOKCCBHVQCO-MNOVXSKESA-N 438.307 1.655 30 10 IDEE Cn1c(N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c(C#N)c(=O)n(C)c1=O 488751626 WFPQZHRCHPMGLF-XLIONFOSSA-N 436.443 1.958 30 10 IDEE CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 525980184 MOGFUKJUGAQKMF-UHFFFAOYSA-N 427.505 1.192 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 539452395 AIICYGKSXCCJQX-DLBZAZTESA-N 442.559 1.846 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)CC1 555799223 BDRIQOXCNXJWNX-UHFFFAOYSA-N 426.311 1.526 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)ccc1Cl 562068863 QHLPLWXIIBEXOA-UHFFFAOYSA-N 441.985 1.709 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)cc1 572456070 BQYXUAZUNQMXSO-UHFFFAOYSA-N 444.513 1.792 30 10 IDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 584816264 AJBJDHOAXUAAPS-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)ccc1C 683622755 OTDRIBUXXVBSRR-UHFFFAOYSA-N 439.537 1.187 30 10 IDEE CN(C)CC#CCNS(=O)(=O)c1c(Br)cc(N)cc1Br 717897655 HZHQRAZDZCASBI-UHFFFAOYSA-N 425.146 1.637 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NCC)c1 730144671 PZOXYHPOVUUIJS-CRAIPNDOSA-N 443.573 1.192 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C2=O 730405603 LXYMWHJSJGFPLP-UHFFFAOYSA-N 438.893 1.517 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732700989 NSWONDWFXSUNPA-LJQANCHMSA-N 431.562 1.530 30 10 IDEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(C#N)cc1 740199423 OWHIKYLZAKJUIM-XXBNENTESA-N 433.420 1.709 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 746200012 OALDXYSFRKLVES-VLGSPTGOSA-N 445.277 1.767 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2cccc(C#N)c2)[C@@H](C)O)cc1C 748216991 HSELJSFOTUPDOK-QRWLVFNGSA-N 430.482 1.629 30 10 IDEE Cn1cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(C(F)(F)F)n1 749051521 YSYNXJPHVDMLBR-UHFFFAOYSA-N 429.424 1.574 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cnn1CCO[C@H]1CCCCO1 759171196 JVQJGPMEMVNHOV-IBGZPJMESA-N 432.502 1.866 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(NS(C)(=O)=O)c1 760989248 VGTZTQWQERUNFP-OAHLLOKOSA-N 428.518 1.918 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CCOCC 772904835 RVKUCAWVZFMMKM-UHFFFAOYSA-N 436.537 1.524 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(OC)cc(OC)c3)cc2C1=O 774403622 CHQNYDXZNJCXES-UHFFFAOYSA-N 430.438 1.605 30 10 IDEE COc1ccc(CN2CCCN(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780207688 YUPOGYJCAJDMMT-HSZRJFAPSA-N 437.496 1.878 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)n1 789088037 ZLEARSWRMLIBFK-NRFANRHFSA-N 437.544 1.908 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796710252 NRIWYGYUKPWIEV-APWZRJJASA-N 443.529 1.793 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2nnc(CC(C)C)s2)c1 798148960 ZXNPRVYDMPHCEZ-UHFFFAOYSA-N 449.558 1.359 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1 814286377 JPGAYGZHDIURQI-KXBFYZLASA-N 432.498 1.374 30 10 IDEE CCN(C)Cc1cc(O[C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)ccn1 856584062 CXBBLQUUSUFHHB-HXUWFJFHSA-N 429.546 1.727 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCOCC1 920290402 VNPPNJCJVAXZMN-GOSISDBHSA-N 436.578 1.368 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccccc3[N+](=O)[O-])n2)o1 1084445618 UJNBPVMMFBFHQU-UHFFFAOYSA-N 431.438 1.513 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1141969218 VMNBOTRUWMYWLF-BZUAXINKSA-N 429.539 1.378 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)[C@H]2C1 1154384645 OHGJIXCNDRCOFX-HZPDHXFCSA-N 437.493 1.966 30 10 IDEE C#CC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OC 1161357237 MLHMRVCQAGPYMR-RTBURBONSA-N 448.566 1.921 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1176687836 MMFYXYIXULUEJW-RYUDHWBXSA-N 433.343 1.867 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)nn1 1212240733 AEAHUYNCWVBUJP-UHFFFAOYSA-N 439.563 1.507 30 10 IDEE N#Cc1c(CCCNC(=O)NCC2CC3(C2)OCCO3)nn(-c2ccc(F)cc2)c1N 1255103929 HOQJYXLMGICUIW-UHFFFAOYSA-N 428.468 1.850 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2(O)CCN(C)C2)c1 1286309974 QKMQYNILAGXLIH-DEOSSOPVSA-N 445.527 1.463 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1286376667 NBVBORQQRPANQD-FHWLQOOXSA-N 429.546 1.484 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1286383587 YDGWZQBMKSIHOW-QGZVFWFLSA-N 442.545 1.908 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1286407131 DHOGSRGUHTWYDM-FQEVSTJZSA-N 438.576 1.726 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1286448366 SNLWNNVJOVLOHP-SFHVURJKSA-N 429.546 1.438 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1286452605 IZNPVFZROQZQLY-MRCUWXFGSA-N 438.463 1.982 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNS(=O)(=O)CC)CC1 1286473410 LOXTUBZLXMNVEO-UHFFFAOYSA-N 446.577 1.038 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(C)nn(C)c2C)CC1 1286489906 HMELDRUUPRYYAG-UHFFFAOYSA-N 433.520 1.100 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286511700 NNKGIHYAYZEVJH-HXUWFJFHSA-N 444.586 1.352 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286513040 PXBPAQCWAFWVBS-YRNRMSPPSA-N 436.534 1.799 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)C 1286563081 NZTMNBZEQDKODH-XEYPJELSSA-N 435.569 1.944 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCCOC)CC1 1286633368 HHEDVEFDQIMIJL-IRXDYDNUSA-N 441.960 1.734 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286686539 ALKAQCBCTXLQIL-INIZCTEOSA-N 445.611 1.008 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cnccn2)CC1 1286817384 UHKDZMSKEIFRPB-UHFFFAOYSA-N 443.533 1.564 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286832274 JGLZUTGQEZXAPI-IBGZPJMESA-N 448.637 1.836 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1297716569 GFEXNQRJHBKPQN-PMACEKPBSA-N 439.582 1.883 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CC3(C#N)CC3)CC2)c([N+](=O)[O-])c1 1299842458 ZCCIFIDCMPVSEZ-UHFFFAOYSA-N 449.533 1.968 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1300478875 DZWAKMFQNZVEDY-KRWDZBQOSA-N 431.562 1.258 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1300486738 AAVOQONJJOYONN-KRWDZBQOSA-N 427.534 1.197 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)c2ccc(F)cc2)CC1 1300706343 KPNHVFWDHSOKBX-FQEVSTJZSA-N 440.523 1.683 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cccc(C)n2)CC1 1300723685 ZOIUWWLEAHQAGJ-FQEVSTJZSA-N 449.559 1.531 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OC)c(OC)c2OC)CC1 1300727231 VJWWZCFUENBZHI-UHFFFAOYSA-N 441.532 1.880 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCOCC2)CC1 1301063968 LRANDSGGCHIDFM-MRXNPFEDSA-N 426.587 1.156 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCC2)CC1 1301106756 WJOASPHMVRVJLZ-INIZCTEOSA-N 438.598 1.693 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1301554710 LMLLBPFIVUZOGI-IAGOWNOFSA-N 446.552 1.877 30 10 IDEE COCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302220228 MZSOADDOZZCSLW-LJQANCHMSA-N 441.492 1.693 30 10 IDEE C#CCC1(NC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CCOCC1 1311349469 PAXHTYOPAIUQAY-IBGZPJMESA-N 431.533 1.949 30 10 IDEE CCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1314231129 FAXIJGUXHXDVKX-UHFFFAOYSA-N 438.513 1.894 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1314545676 JCFZOOPVESLKRY-AWEZNQCLSA-N 434.522 1.203 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1314675459 PCXWAAPTVSDFHX-UHFFFAOYSA-N 449.537 1.027 30 10 IDEE CO[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1315189502 RXTOIZLVJVRIFK-SFHVURJKSA-N 439.520 1.720 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@@H]1C 1316129722 RADUBNMPRGFVOX-KRWDZBQOSA-N 425.537 1.500 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCn2cncn2)c1 1358902793 ZIMHGQFOTZWLIC-UHFFFAOYSA-N 441.499 1.996 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@H]1C 1359006859 LKFWATBJIIVCBK-YWZLYKJASA-N 432.550 1.238 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1c(C)noc1C 1359024748 UYBWWIQAXYYOFN-RHSMWYFYSA-N 435.550 1.675 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1 1359090526 CEBUDYOVLGEKNO-XIRDDKMYSA-N 427.571 1.078 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359101655 QMQRRPRDJZIOAJ-JPAWQOSXSA-N 441.532 1.605 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359126178 HSYHSHRYLDANTP-SFHVURJKSA-N 447.584 1.591 30 10 IDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1359126977 FJDJEIPSLSAJOZ-UHFFFAOYSA-N 437.342 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359297470 RIKGMRQTRRLTEZ-UHFFFAOYSA-N 449.475 1.272 30 10 IDEE C#CCN(C(=O)c1nnn(-c2ccccc2Br)c1C)[C@@H]1CCS(=O)(=O)C1 1360054193 FZXSORRJIAFWRA-CYBMUJFWSA-N 437.319 1.601 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1 1460055302 XRDQRUOJLSCBCC-UHFFFAOYSA-N 430.505 1.668 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H](CO)C1 1460757402 FOULBWCMHOTSMO-SFHVURJKSA-N 440.504 1.596 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1463774288 IXTREZFLGVHVJY-HNNXBMFYSA-N 429.317 1.749 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1 1463921897 GZELXMMKYLESTL-CQSZACIVSA-N 432.502 1.906 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(n3cc(C(=O)OC)nn3)CC2)c1 1466752324 YFXSTMIQKVLZFL-UHFFFAOYSA-N 430.486 1.339 30 10 IDEE Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1S(=O)(=O)NCC#N 1470491618 OWKBGBJCBSQGOL-SFHVURJKSA-N 434.562 1.512 30 10 IDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507590812 GVEQLVIGXKAEHB-GOSISDBHSA-N 436.495 1.953 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507726689 KHNWZOBQVBFOHA-LJQANCHMSA-N 443.573 1.090 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)CC1 1507738996 KJKSUOWGQVAPRM-FQEVSTJZSA-N 442.564 1.006 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOCC(F)F)CC1 1507740897 HCVZFMCRQMHIHQ-MRXNPFEDSA-N 425.480 1.767 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1507795443 IDOSQKCHHDWPQB-GUYCJALGSA-N 449.353 1.964 30 10 IDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCNS(=O)(=O)CC)CC1 1507907180 SNMDLGKDYBBIEV-UHFFFAOYSA-N 436.538 1.348 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508074206 PBRHKCALVVNFBB-JOCHJYFZSA-N 442.520 1.227 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)C1 1508108112 DSKZMFKOPIFVTE-HNNXBMFYSA-N 434.522 1.141 30 10 IDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1516124165 BRUDAYXFSXZTRD-FRQCXROJSA-N 440.570 1.093 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1521129228 IWQRMQMVJQXLCT-HKUYNNGSSA-N 440.504 1.427 30 10 IDEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccccc1 1529728779 WHQQFORKYGIETQ-OAQYLSRUSA-N 425.510 1.644 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n1 1531364405 ZWHRROZAWLNEFT-SFHVURJKSA-N 432.521 1.072 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)nn1 1531381002 OSSYKWMBZCVSQE-JSGCOSHPSA-N 445.442 1.848 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN(c4ccncc4)CC3)C2=O)cc1 1537847980 NDVNICKUFBDFPL-FQEVSTJZSA-N 432.484 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1539296640 SBYJVMTVGIDJNF-RTBURBONSA-N 434.610 1.616 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 1539446353 BTGGTWPPQWDCKW-INIZCTEOSA-N 434.953 1.032 30 10 IDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)N(C)C)CC1 1539840199 NOPYRTADHCYWTE-UHFFFAOYSA-N 433.534 1.764 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540867469 XCMGILLGISOVNH-KXBFYZLASA-N 427.505 1.880 30 10 IDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1542981053 WRDZVVCLBQUTOR-UHFFFAOYSA-N 427.534 1.893 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](CN4CCOCC4)C3)C2)C1 1544873184 LXOJUOYFHABYMG-SUYXUUSGSA-N 432.565 1.954 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1547221402 AQIMEVCVUIRDFL-GOSISDBHSA-N 444.561 1.604 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H]1C 1547648994 DZMOCUVGWXMVFA-ROUUACIJSA-N 435.536 1.939 30 10 IDEE N#Cc1ccccc1NC1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 1560035794 HUXLVBCPEJIJLC-UHFFFAOYSA-N 439.541 1.671 30 10 IDEE CO[C@H](CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCOC1 1565053211 ZTEINHDDCKAZCS-AUUYWEPGSA-N 430.484 1.749 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OCC)c1cccc(C)c1C)c1cc[nH]n1 1567874563 DNKNMETYUCSOBQ-GOSISDBHSA-N 430.461 1.731 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 1570505646 NBHZCKYLLGVZAR-GUYCJALGSA-N 426.495 1.401 30 10 IDEE COC(=O)c1cn([C@H]2CCN(C(=O)COc3cccc(Br)c3C#N)C2)nn1 1584395007 FNPLVDAEVYOFFL-NSHDSACASA-N 434.250 1.551 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@H](C)C1 1587598650 DOGUVVBDEPYNHP-RBUKOAKNSA-N 449.563 1.880 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2Cc2nnn(C)n2)c1 1587697552 SMBDQQFJKRULIQ-UHFFFAOYSA-N 447.528 1.558 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(C)c1 1588173791 KMEAVPZSEUKAFD-UHFFFAOYSA-N 432.528 1.715 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2c(CC)nn(C)c2OC)CC1 1588923950 RODGKKSFRRRXAA-UHFFFAOYSA-N 425.537 1.474 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1589088773 IIBCMHPCILAHFG-LJQANCHMSA-N 426.590 1.789 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccnn2)CC1 1593763702 PFCDCLNUMNFLEE-UHFFFAOYSA-N 437.552 1.849 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595476642 MHHVNHRFJSVWFB-JQFCIGGWSA-N 445.451 1.974 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595476829 NUFKHHMUMXJEFK-NVXWUHKLSA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1595569258 CVDTZOIQXOUEID-QHCPKHFHSA-N 441.532 1.370 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H]2C(=C)C)C1 1595722364 JNICZKJZJNVINK-MANSERQUSA-N 436.578 1.943 30 10 IDEE CC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1611787888 HPKAVSRJPXLHMX-NRFANRHFSA-N 429.546 1.993 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)C[C@@H]1C 1615858971 HUZOSICBMIBTEE-KRWDZBQOSA-N 445.593 1.677 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1 1618737223 CSMOGYJKPUTKRT-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1618917276 BJGRTHFXKJJGHX-INIZCTEOSA-N 426.477 1.795 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OCC(=O)OC(C)(C)C)cc2)CC1 1627015568 WBKMBXDHBWPBHT-UHFFFAOYSA-N 429.517 1.304 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 1628680646 PRRNXOAHTWQJOS-UHFFFAOYSA-N 442.559 1.250 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1630396797 JTBMQRSRCRZZAK-CJNGLKHVSA-N 445.463 1.490 30 10 IDEE C#CCN1CCC(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 1635160617 RSFFOLKMTKRXBY-UHFFFAOYSA-N 428.352 1.331 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)C1 1638203600 SEHAJDNFAYYVMA-OUFKLWKOSA-N 443.422 1.673 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CO)(C(F)(F)F)CC2)s1 1639843093 BLGQUHQJVYLKQK-UHFFFAOYSA-N 426.482 1.918 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 1639962570 OQTWUYKEOUEPFT-IBGZPJMESA-N 429.498 1.385 30 10 IDEE Cc1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)nc2c1c(=O)n(C)c(=O)n2C 1640219112 PDDRHZMYIWLXKD-QGZVFWFLSA-N 432.484 1.163 30 10 IDEE C=CCn1c(SCC(=O)N2CCO[C@H](CC(N)=O)C2)nnc1-c1ccc(Cl)cc1 1642083092 SGLDSXXBTXVJJQ-OAHLLOKOSA-N 435.937 1.979 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(C3CCOCC3)n[nH]2)s1 1643319029 GRRBDXOUTHWULT-UHFFFAOYSA-N 425.536 1.083 30 10 IDEE C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CCOCC1 1644568067 ZEQIIVQYOMNMBU-HDICACEKSA-N 449.573 1.585 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCc3cccc(C)c3)c2)CC1 1650845950 CCOGTEOJIBEUJW-UHFFFAOYSA-N 427.526 1.799 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1665426705 PURHVGNCQCGBCH-RDJZCZTQSA-N 439.534 1.709 30 10 IDEE Cn1cc([C@]2(CNC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)CCCO2)cn1 1676581371 MNNDNEBWBHOZJZ-HSZRJFAPSA-N 448.531 1.997 30 10 IDEE C[C@]1(C[C@@H]2CCCN2C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)NC(=O)NC1=O 1682384367 CNVOYKZMBTWPQZ-WMZHIEFXSA-N 438.532 1.685 30 10 IDEE C#CCN(C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C1CCN(C)CC1 1683988538 FDLHGCDBEJPDNF-UTKZUKDTSA-N 428.581 1.847 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1689867326 ROCOYJWMGMHOSS-HRCADAONSA-N 439.582 1.941 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1689966559 VNFNQSCWLVUJEX-OAHLLOKOSA-N 434.518 1.324 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1689991335 ZUIPKHFRQYDNSB-GJZGRUSLSA-N 443.367 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2CCCO[C@H](C)C2)CC1 1690144435 ZLQMJGFWSKWHAY-GOSISDBHSA-N 428.581 1.622 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1690689479 FBDRGHYNRLOLCE-NQIIRXRSSA-N 443.529 1.148 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1690723016 FDRKJQOZPYHWCI-CQSZACIVSA-N 444.517 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CSC 1690724879 YBFVAIJZIZNQQJ-CABCVRRESA-N 448.636 1.113 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1692555529 KFOHSBAUSQJVQW-QFIPXVFZSA-N 442.520 1.495 30 10 IDEE CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1692564399 DRDXLSDIKRGMTN-UHFFFAOYSA-N 429.550 1.924 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1693644508 BCJMEFGAMDSWCL-STXHMFSFSA-N 430.534 1.549 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCO[C@H]2C)c1 1705504887 FQGVTBGAQOICFU-XDHUDOTRSA-N 448.527 1.880 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705567382 XMPMKNLBIOSONB-WQIZZMQYSA-N 437.591 1.447 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1705624453 BQTDECDIESEYRS-KSFYIVLOSA-N 430.505 1.588 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1705642990 ORTPATWVIFBOQT-UHFFFAOYSA-N 425.537 1.712 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1705647461 FMFNXFYVTBCQTE-ZCNNSNEGSA-N 427.549 1.729 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705660114 MYXXSGCKQDNNTH-LSDHHAIUSA-N 445.549 1.680 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1705733594 RIEHMFSAACDHEM-UHFFFAOYSA-N 447.971 1.844 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCCc2ccccc2)CC1 1705763339 SZHFSEPUNUNRII-QGZVFWFLSA-N 446.577 1.404 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705908167 KDEXKNPFVRYZOW-QHCPKHFHSA-N 438.532 1.438 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1706044387 PEAKWXYQFBNWBT-LEWJYISDSA-N 438.532 1.709 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C)N1CCOCC1 1706784769 WQTDVMRINADCKG-KRWDZBQOSA-N 439.564 1.888 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1711586795 DZGXLEMQEHIOEH-GUYCJALGSA-N 442.442 1.502 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCS(C)(=O)=O 1712626769 PGQZSXHHEIWGEO-ROUUACIJSA-N 433.534 1.555 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1CCNS(C)(=O)=O 1722278318 CQWLEKUPEDWPNF-JTQLQIEISA-N 432.369 1.776 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1722279620 TZWGVVPKTHFEEK-KOUJMVCDSA-N 441.532 1.267 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCOCC1 1722280964 SXKUIERURZTQNQ-CYBMUJFWSA-N 449.353 1.786 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722352666 KCLTUUXFPKAWFT-QAETUUGQSA-N 444.536 1.323 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722398722 BILATUWVVRSUAX-IBGZPJMESA-N 446.477 1.990 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1722432040 VOOCDHMAVJVINU-HXOBKFHXSA-N 440.523 1.791 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722534031 GQJCTFYHXOGLCJ-KRWDZBQOSA-N 434.566 1.327 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 1722555539 LQTVVTNEXAKQCN-HZPDHXFCSA-N 444.989 1.038 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C 1722598480 IPOQKBCXRHUHFU-HLIPFELVSA-N 426.583 1.903 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722625195 PRZCFQNWXWYJJS-KRWDZBQOSA-N 444.536 1.903 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722698769 LZEXXXLFYYFSLS-OAGGEKHMSA-N 439.582 1.122 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(C)C)CC1 1722727465 ONPMODNJSYUDIQ-KRWDZBQOSA-N 425.599 1.740 30 10 IDEE CCS(=O)(=O)NCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1729221548 GKNWIBFEALHLSN-UHFFFAOYSA-N 447.565 1.440 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCc2ccccc21 1730879337 ZXJDQMBQSCDOPM-TVTNDZMWSA-N 427.505 1.565 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1740570206 CHUZRMSUEQOUGY-HNNXBMFYSA-N 442.549 1.739 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1740599402 ACWNVSAVHUTMOC-UGSOOPFHSA-N 425.942 1.519 30 10 IDEE C#CCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCS(=O)(=O)NC 1740601443 BYEZHIRASGDYSH-UHFFFAOYSA-N 430.559 1.996 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1740664577 WBRDMWFBBUQYOW-FQEVSTJZSA-N 449.602 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cn3ccccc3n2)CC1 1740707427 BKROBDJJEWDMQD-UHFFFAOYSA-N 435.532 1.671 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740808987 ABFUYXZPOQAWAC-AWEZNQCLSA-N 430.962 1.232 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1740900366 PRDKYXAYSUXCDI-KRWDZBQOSA-N 428.603 1.352 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740948032 PYXRRFDUTFDZKM-UHFFFAOYSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740953541 JGSXHQCLDPEJAW-CQSZACIVSA-N 448.430 1.490 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740958264 MKDSCJQTGNEQDA-UHFFFAOYSA-N 444.540 1.090 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1740959478 WWLRIHOMFJGCQD-HNNXBMFYSA-N 437.504 1.202 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1740969255 LPUUXQZAHCCLPI-GOSISDBHSA-N 447.561 1.477 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1741291282 VUUVOGDOWHCCJG-GOSISDBHSA-N 437.548 1.940 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741517396 BRPUBKIDFVZAHJ-PXNSSMCTSA-N 439.582 1.488 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC2CCCC2)nc1 1741678154 BPWQMFLZICNTKQ-SFHVURJKSA-N 439.520 1.910 30 10 IDEE CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1743878663 DPBOUWKOXYXRJZ-JXFKEZNVSA-N 448.531 1.984 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C 1748648637 ACJHAOMICOSXLR-MRXNPFEDSA-N 441.561 1.744 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748735329 PGJXNYKMKHNRJB-VQIMIIECSA-N 428.489 1.736 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1748772245 RKFQMSPLIQVGAA-HXJXPZHGSA-N 447.580 1.270 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)N(C)C)CC1 1748982739 BTWJHBVCFKJVJE-UHFFFAOYSA-N 430.578 1.154 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)[C@@H](C)CCC)CC1 1748994792 RNCHVRIMJBEJTC-SFHVURJKSA-N 440.596 1.447 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749232486 MLFZGNZHTMESJR-OAQYLSRUSA-N 431.562 1.872 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1749505896 CQJCSIHITCRVFW-OAHLLOKOSA-N 430.475 1.834 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccccc2)CC1 1749663394 CTMYKZFRYWWQCQ-UHFFFAOYSA-N 432.532 1.750 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1749670348 QHSXIBBUSGDATB-UHFFFAOYSA-N 440.596 1.910 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749726738 CMWAHVIORWSJRM-GOSISDBHSA-N 431.562 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@@]1(OCC)CCOC1 1749739523 FBODBFZWVMYDAU-WOJBJXKFSA-N 442.582 1.536 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1749755045 CUNGQYIFTNMMKH-INIZCTEOSA-N 444.623 1.935 30 10 IDEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O)N1CCOCC1 1750587283 HCEDMAXRFOUVFQ-PXNSSMCTSA-N 439.564 1.874 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1760162609 BPFHSUUNNOWOIM-GFCCVEGCSA-N 429.905 1.829 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(CCN(C)C)CC1 1760168395 ZYJWCGSBLQJZES-UHFFFAOYSA-N 448.579 1.264 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1760191070 AEBZVFSMKADTNO-GOSISDBHSA-N 442.545 1.716 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1760235253 HMGOMENLHCTBEC-KRWDZBQOSA-N 429.525 1.828 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCCC2=O)c1 1760242458 DFPMJXQJLHAZHN-UHFFFAOYSA-N 438.532 1.677 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1760256447 HDHZNEUZVQYIQY-DEOSSOPVSA-N 438.576 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1760259367 LEJOXOJWBBTWPL-VAMGGRTRSA-N 448.637 1.056 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1760456672 UVORYKZJMFKQEB-INIZCTEOSA-N 429.550 1.804 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1760821144 GFZMLCNDAUMLMP-UHFFFAOYSA-N 426.521 1.982 30 10 IDEE CCN(C[C@@H]1COc2ccccc2O1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1765191637 PSSBCXFXAABGEJ-MODMUFLJSA-N 438.488 1.779 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1767931947 CZHMJKHSYRYVAJ-KRWDZBQOSA-N 438.536 1.323 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C[C@@H](C)O1 1769490799 FYFGVROBAXGHQI-NKXGVUCQSA-N 429.546 1.968 30 10 IDEE COCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1770165896 PMMYZVNJILZODI-UXHICEINSA-N 438.532 1.807 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cc3n(n2)CC(F)(F)C3)cc1 1852597164 GQPPOXYSPWRFHQ-SFHVURJKSA-N 432.427 1.883 30 10 IDEE N#CC1CCN(C2CCN(C(=O)[C@@H]3CC(=O)CN3C(=O)c3ccc(F)cc3)CC2)CC1 1852799970 UNBQORSKVHPSMX-NRFANRHFSA-N 426.492 1.836 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1854590171 MJBMQIQLYMSRFY-QUCCMNQESA-N 431.558 1.889 30 10 IDEE CN(C)CC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC4(CC3)C[C@@H]4C#N)ccc21 1856532535 AFCGATADMOHUQX-MRXNPFEDSA-N 430.530 1.368 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862592792 KHPGOONTBYLQMG-FQEVSTJZSA-N 438.436 1.878 30 10 IDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N(C)Cc2ccccc2)n1 1871507310 LHQVEHWIUSTROR-UHFFFAOYSA-N 425.518 1.919 30 10 IDEE CC(C)(C#CC(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1993919988 VNKWZBIWANTDIB-HUUCEWRRSA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@]12CCOC2 2006234330 OMSLMQZJLPPXNY-IUODEOHRSA-N 425.345 1.983 30 10 IDEE CC1(C)OB(c2cnc(N3CC[C@@H]4CS(=O)(=O)C[C@H]43)c(Br)c2)OC1(C)C 2172785263 TXGIXLJLQOXOFF-BXUZGUMPSA-N 443.172 1.767 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1C#N 2174786720 MKOAHSHYNBUPMY-GOSISDBHSA-N 430.486 1.578 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCN1C(=O)OC(C)(C)C 2247896695 JFBIOFYYGNOAHD-UHFFFAOYSA-N 442.347 1.266 30 10 IDEE Cc1nc(S(=O)(=O)N(CCO)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2247903008 ZIHNLKKNEDJCDD-UHFFFAOYSA-N 435.355 1.211 30 10 IDEE C[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C(=O)OC(C)(C)C)C1CC1 2248403916 IZMMERUJWCRCDI-NSHDSACASA-N 438.359 1.986 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255632425 MVPUGDWNTARUNM-DZGCQCFKSA-N 432.330 1.790 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C=CCN1C(=O)OC(C)(C)C 2255638718 BLMBOGRKASHIQF-CQSZACIVSA-N 432.330 1.625 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255658017 XPPZCGNGNPJSHZ-STQMWFEESA-N 432.330 1.646 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255809183 TWOBXQGXISYZJC-LLVKDONJSA-N 447.288 1.973 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)ns2)OC1(C)C 2255837680 SWVCKTUALDPGBR-NSHDSACASA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255848693 FGBOBVLZURIRLO-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@H]1OCc1ccccc1 2255941774 KDBXGROSHGMSDP-QZTJIDSGSA-N 447.366 1.745 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267133440 BZWRGMSRCWDJOB-XOIINTDNSA-N 446.357 1.657 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCCN(Cc4ccccc4)C3)[nH]n2)OC1(C)C 2267143371 HEZMNJPIMFDXLI-HSZRJFAPSA-N 440.353 1.466 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188689 PNGCGAFSSLYBNQ-WCQYABFASA-N 444.263 1.391 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267225138 TYSFUUBVALRBDA-KRWDZBQOSA-N 439.369 1.851 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267504028 MHAFFWYUQKULQS-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE Cn1ncc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 2267516892 KPEUONQOQVVFFA-UHFFFAOYSA-N 446.317 1.719 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267875967 KLCYJBALPRWHMN-RBSFLKMASA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2303958372 HICDCJXSWOXXCU-CQSZACIVSA-N 426.319 1.071 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2312781426 IFJBODMWCBCRMU-INMHGKMJSA-N 435.330 1.134 30 10 IDEE C[C@@H](O)Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(O)nc(=O)n2C 2328607977 JGJNMLZZGHFALN-MRVPVSSYSA-N 437.254 1.131 30 10 IDEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)n1 20291916 XXFLKAFAJHGGSV-UBKPWBPPSA-N 433.479 1.842 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCCC(=O)ON3C(=O)CCC3=O)cc2C1 101096431 XEYIKPTVQHPNQI-UHFFFAOYSA-N 431.445 1.664 30 10 IDEE C[C@H](C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)n1cnc(C#N)n1 409450885 AVARECBISSDDEM-MRXNPFEDSA-N 445.487 1.031 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 409814488 XRIAYUVHKWDTQF-BXUZGUMPSA-N 436.353 1.317 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCc4ccnc(O)c4C3)ccc21 426540998 UIPQSZGDTSFFCF-UHFFFAOYSA-N 433.468 1.894 30 10 IDEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 429465166 KJOHSXMDCGEOQA-FRIZHTMISA-N 439.495 1.706 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)C1=O 446634054 BXNRQDKLWKEBLB-IBGZPJMESA-N 448.479 1.537 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 460578934 YGRIERPNPFLZDZ-UHFFFAOYSA-N 440.467 1.947 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 461841165 VSJQBOUATOSUJH-SJORKVTESA-N 425.555 1.359 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ncsc4c3)CC2)cc1 475555116 KOZQAYJGKBEBGN-UHFFFAOYSA-N 448.551 1.863 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 482157849 NTXLKFJMOFCVMP-IFXJQAMLSA-N 444.488 1.628 30 10 IDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)c2C1 487695472 GRDMVEYOFVFBNW-IVMQYODDSA-N 436.516 1.968 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 500454506 XVRNXWGPLLXQIW-UHFFFAOYSA-N 448.545 1.932 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508938842 NMSVURMAZPGSPM-UHFFFAOYSA-N 448.531 1.754 30 10 IDEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508987766 PPCOUSVFYQDXSI-UHFFFAOYSA-N 440.548 1.044 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNC(=O)c3ccccc3)CC2)cc1 514536026 QISPQURKEDCBOK-UHFFFAOYSA-N 441.513 1.004 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ncccc3C)n2C[C@H]2CCCCO2)CC1 555486514 LKURIZRDNBIJDJ-LJQANCHMSA-N 439.564 1.642 30 10 IDEE Cc1cnc2c(S(=O)(=O)N3CCN(S(=O)(=O)CC4(C#N)CCC4)CC3)cccc2c1 581911617 CJQAUBGDIQBIPN-UHFFFAOYSA-N 448.570 1.873 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CC2)cc1 609920591 SVZUHJWHACCQTH-UHFFFAOYSA-N 438.576 1.330 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 670197770 FKWOTGSNPYAUGA-QZTJIDSGSA-N 438.598 1.252 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 734292456 PBUDFWCYMCIQFX-UHFFFAOYSA-N 441.509 1.989 30 10 IDEE CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747495342 LVMXQBQYABOELJ-CQSZACIVSA-N 444.513 1.899 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 758098375 QXOBBCOTOOKFLL-SFHVURJKSA-N 440.569 1.958 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)c(OC)c1 760407595 XWLFNZNGDROVJR-HNNXBMFYSA-N 449.529 1.977 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)ccc1F 773967168 KJMNHRBLDAFANE-ZFWWWQNUSA-N 427.498 1.887 30 10 IDEE C#CCN(C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1CCS(=O)(=O)C1 774024002 JADQPCUVRBMDQY-OAHLLOKOSA-N 434.543 1.787 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCc2c(C)nn(C)c2C)cn1 774581345 HJRLVJYOBYKDMX-KRWDZBQOSA-N 431.566 1.954 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 786108159 ZBTXQDNUWQGNJL-UHFFFAOYSA-N 446.979 1.900 30 10 IDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(c2cnccn2)CC1 790211246 GCUQAOADBDTDHK-UHFFFAOYSA-N 442.545 1.423 30 10 IDEE C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 791066896 LSJUGRKRQKJQCF-INIZCTEOSA-N 441.575 1.216 30 10 IDEE CS(=O)(=O)c1ccc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 807963242 OXDHXCSYDJMMPX-UHFFFAOYSA-N 432.321 1.946 30 10 IDEE Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1C 917520569 MTKCNHXGUYNZFS-KRWDZBQOSA-N 429.502 1.864 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOC)C1 1116952582 CJSGGBONWHQPNH-KRWDZBQOSA-N 435.550 1.623 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)N(C(=O)OC(C)(C)C)CC1=O 1126038329 MXCKZRFMXFWGCF-OALUTQOASA-N 441.532 1.301 30 10 IDEE N#Cc1cn(CCNC(=O)CCCCOc2ccc(Br)cc2)c(=O)nc1O 1167523819 ULAYLTXBOFFPDH-UHFFFAOYSA-N 435.278 1.949 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)CC1 1175514704 FFVQWZATSQEGMN-UHFFFAOYSA-N 432.571 1.581 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1=O 1180978382 DHSGZKLTPGQGMD-OAHLLOKOSA-N 436.509 1.507 30 10 IDEE COC(OC)C(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 1195978809 PTAMLYCJIACKGK-AWEZNQCLSA-N 434.562 1.836 30 10 IDEE CCOC(=O)c1sc(C2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)nc1C 1213498556 DTASTICXBXKYSM-UHFFFAOYSA-N 444.579 1.915 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCCn2cnc(C#N)n2)CC2(CCOCC2)C1 1228010363 PRBWBHMNDLXMRC-OAHLLOKOSA-N 433.513 1.255 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC(C)C 1286306563 VJXOYRXUOBFECD-BRWVUGGUSA-N 425.599 1.982 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(F)cccc2F)CC1 1286481922 YTGAVSVXUYUXML-INIZCTEOSA-N 449.527 1.456 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(F)cccc2F)CC1 1286481925 YTGAVSVXUYUXML-MRXNPFEDSA-N 449.527 1.456 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286503491 GAIVQJPAHROLMW-UHFFFAOYSA-N 427.534 1.171 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1286599904 DTNUQAHUUGETHS-AEFFLSMTSA-N 441.598 1.734 30 10 IDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286631200 CPAPONOOQZPJKL-MRXNPFEDSA-N 431.990 1.860 30 10 IDEE Cn1cc(I)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1297335916 SLVUBFQUBZDGNX-CQSZACIVSA-N 449.252 1.427 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1299305437 HHSLRYHBJXLVGE-IBGZPJMESA-N 444.496 1.122 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1300489013 YWYNSATYIKQDFE-ROUUACIJSA-N 430.578 1.774 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1 1300505748 IBARVBZSLNZFFU-UHFFFAOYSA-N 427.530 1.082 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1300512971 PAWKVEBEHPVXPF-OFNKIYASSA-N 428.581 1.029 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1300766753 JKPUKOTVZWEQJU-GOSISDBHSA-N 429.571 1.257 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1300882516 VKIPGQSRAHYHIN-QZTJIDSGSA-N 432.550 1.403 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CC1 1301220204 YVTCGNWBJCJXJE-UHFFFAOYSA-N 441.347 1.834 30 10 IDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1301335932 SQOGVMGTTSSNMW-HXUWFJFHSA-N 440.525 1.513 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301499095 XFGZMILJEXFNFC-RDJZCZTQSA-N 443.577 1.476 30 10 IDEE C=CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1301597161 KKHMOHHPAVVWSS-UHFFFAOYSA-N 433.534 1.826 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301611307 BDVJDWUJSCGZHM-OAHLLOKOSA-N 434.566 1.612 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC=C(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302291592 DCEIGEPWYQOOEE-JCXSCKIOSA-N 442.520 1.685 30 10 IDEE CS[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302565692 GJLYMBSCWHFCQN-MRXNPFEDSA-N 440.577 1.745 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCS(=O)(=O)C1 1302685378 BSBLKGZLZJTXCW-HOTGVXAUSA-N 444.565 1.213 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)cc1 1303420111 BTRKNLVXHYZJJQ-SFHVURJKSA-N 441.509 1.709 30 10 IDEE Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1304546204 DWRADLNZKRGUFW-UGNPLGLKSA-N 436.516 1.929 30 10 IDEE C#CCN1CCC(NC(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1 1310564634 YKOKYRBZFHFLSP-UHFFFAOYSA-N 443.552 1.753 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1316541070 SBRKFHPLTHGDTA-KHOFPDMRSA-N 447.499 1.318 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1358886632 HRGZDJBGOGRODB-AWEZNQCLSA-N 440.529 1.877 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1358978327 JONNRWYEQUELIF-SFHVURJKSA-N 425.514 1.260 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNC(=O)C2CC2)CC1 1359033139 QVRZVBYLWURGRX-UHFFFAOYSA-N 438.532 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccnc2-n2cccn2)CC1 1359047328 BQOOKAVTPQFCTF-UHFFFAOYSA-N 448.531 1.409 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1359056830 MFBJTLRPVPWXCC-INIZCTEOSA-N 442.593 1.519 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCNS(=O)(=O)CC 1359069251 GHFSDOVRGFHJQO-HXUWFJFHSA-N 448.549 1.327 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1359070024 CYKAAEVLUWKPAO-WAOWUJCRSA-N 433.578 1.431 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1359076800 MTHWLWWOJBDTPA-KBPBESRZSA-N 447.403 1.471 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359081507 CYFDPNWMBYCPQC-XJKSGUPXSA-N 434.342 1.801 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359094160 XPJFGPHMVFYBKP-YLJYHZDGSA-N 429.525 1.625 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359097877 VCTUWTHPMZSDAC-AEFFLSMTSA-N 449.581 1.132 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CC(N)=O)C1 1359330568 WSDNYXRKORWHFX-INIZCTEOSA-N 447.561 1.646 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359865037 VDBIITOZQVDJHH-JKSUJKDBSA-N 430.475 1.859 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1360274056 HQIUKHPTSYHNGE-UHFFFAOYSA-N 439.564 1.888 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1360699744 WDLMAZKNPMKASB-OAHLLOKOSA-N 448.549 1.798 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)nnc1-c1ccco1 1455093861 LVICHGAOJGJOLL-PBHICJAKSA-N 431.518 1.712 30 10 IDEE C=CCC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)C1 1455683270 VWHLWJAAFLTAHJ-UHFFFAOYSA-N 434.562 1.686 30 10 IDEE CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 1456594028 SEUQDPILLFTAMZ-VXPUYCOJSA-N 448.520 1.530 30 10 IDEE COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466635181 IKQGIZWHGSVDKT-VQWQTIEJSA-N 431.493 1.397 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)nc(Br)c2)CC1 1467814594 NRNSOXLXRYVTTA-UHFFFAOYSA-N 444.127 1.114 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 1469729328 KXUGTJPRQLGSSL-UFYCRDLUSA-N 443.548 1.811 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3C)CCO2)c1 1471252100 QQJOVMQDTXULQA-NRFANRHFSA-N 441.553 1.537 30 10 IDEE CCCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1501040109 FBNHATSXCTWEFW-MPGHIAIKSA-N 427.550 1.205 30 10 IDEE CN(C)C(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1503369762 KCWWPHXKGXADTA-UHFFFAOYSA-N 435.488 1.992 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1507590015 BGKMLRUPSGMNOK-HXUWFJFHSA-N 436.564 1.970 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1507629048 RFTMOGUVEFGOBI-HXUWFJFHSA-N 449.540 1.420 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632671 OYUZIHRBMPJUIG-LJQANCHMSA-N 435.594 1.285 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1)C1CC1 1507988542 UHCYJTIZQSRKGI-GDBMZVCRSA-N 433.534 1.883 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508093302 HSQZSDTZHJNFQM-OAHLLOKOSA-N 430.484 1.261 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508094633 HVRSWZRQCYANIJ-MJGOQNOKSA-N 438.532 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)CCC)CC1 1508138221 YEVBEXAJXRDKPQ-UHFFFAOYSA-N 446.577 1.826 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1508148005 DZHALAFNLFFDRI-JTDSTZFVSA-N 444.623 1.861 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H](C)CC#N)CC1 1508274114 DZDVLRCXYPDUSY-INIZCTEOSA-N 440.508 1.756 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@H]1CCOC1 1510152453 BWDZZFVYPJIDMH-CVEARBPZSA-N 432.550 1.823 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1c(F)cccc1F 1510217593 IAZUQQJFOFDLQK-CHWSQXEVSA-N 440.476 1.138 30 10 IDEE CCN1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1515919434 WLJJLZMKPAHOEF-QQMHEVNUSA-N 438.536 1.340 30 10 IDEE C#CCO[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1517355879 IGFODGKBIRKQCW-CYBMUJFWSA-N 426.254 1.614 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(C[C@@H]3CCCO3)c3ccnnc3)C2=O)cc1 1530976040 QDLMGSXBWCIXAG-RBUKOAKNSA-N 434.456 1.765 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)COc2cc(Br)ccc21 1538379386 COIMQABEJPWANZ-UHFFFAOYSA-N 437.290 1.978 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1539340260 JWAPKFJFTFLSNA-KRWDZBQOSA-N 434.504 1.786 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539467231 PPURTPGMZQYATR-IBGZPJMESA-N 429.613 1.393 30 10 IDEE C#C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 1539807917 MAKIVLDBLWCOOR-QFBILLFUSA-N 435.502 1.540 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540035400 BMCBMNBJHFQENT-HXUWFJFHSA-N 429.569 1.821 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 1540453628 APJHALBQVXYVNF-QGZVFWFLSA-N 437.518 1.988 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540868981 YNVACXSUSDHOPI-OAHLLOKOSA-N 442.545 1.742 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(CC)n2)C1 1540884004 ISCKHYZOMPMVQY-UKRRQHHQSA-N 440.595 1.737 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540907226 PEJZYTZJLJQIFR-IBGZPJMESA-N 437.610 1.916 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)CC1 1561296406 LJJCHVYYPFDQOH-UHFFFAOYSA-N 445.507 1.725 30 10 IDEE COc1ccc(CN2CC[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2=O)cc1 1565746531 RIHOTBQCIVHMID-IBGZPJMESA-N 445.472 1.662 30 10 IDEE CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566243541 BDSMLMYZFVZPBC-WMZOPIPTSA-N 437.924 1.825 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCCSCc2ccccc2C#N)cc1 1587321009 LYULYUWIKMJXIP-OAHLLOKOSA-N 433.555 1.881 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H]2CCOC2)c1 1587692613 GXPCYQWZTJBLLS-IEBWSBKVSA-N 436.516 1.712 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1588162199 MXEOOFHQGLLNOV-UHFFFAOYSA-N 435.937 1.475 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC(=O)N(C)C 1588560079 MGALPOPAFCIXAI-UHFFFAOYSA-N 426.496 1.658 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNC(=O)C(C)C)CC1 1588865339 URNCYJFUHJWYCE-UHFFFAOYSA-N 433.560 1.809 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1 1588930591 ZTIFFKXXFORXOQ-GOSISDBHSA-N 449.621 1.800 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1589530371 VDPCUJYONLMJQZ-GGPKGHCWSA-N 429.569 1.817 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCc1ccccn1 1595537008 LFCLPHBVJBQVJM-UHFFFAOYSA-N 437.504 1.772 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCOC1 1595545586 YXBHFBBNABPMNI-DLBZAZTESA-N 448.568 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C)c2ccccc2C1 1595760779 SLYOTIIEEZHOLT-UHFFFAOYSA-N 446.577 1.474 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1611307746 GEYHOQLOIUHCQW-FXAWDEMLSA-N 442.589 1.977 30 10 IDEE CCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cn1 1615007942 GHFZLCAIEXVMEM-QGZVFWFLSA-N 425.493 1.475 30 10 IDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCc2ccc(C(=O)NO)cc2)cc1OC 1618006994 BRPCXIMAJMOHDC-JOCHJYFZSA-N 429.473 1.577 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H](CCO)CC2)CC1 1618637244 IANNVDKOFMJQGR-KRWDZBQOSA-N 427.505 1.939 30 10 IDEE C[C@@H](CC#N)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1619198494 DULHLUDLJSWEBJ-INIZCTEOSA-N 435.550 1.138 30 10 IDEE COc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1619303078 FSMFWWWBPUQIKP-JLSDUUJJSA-N 426.477 1.434 30 10 IDEE COC1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1619481811 MFZXDYDQAKSBBR-ICIBYLBGSA-N 425.530 1.827 30 10 IDEE COCC1(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1619639730 FUURUDFUWBCDBK-SJORKVTESA-N 437.566 1.506 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1620041466 JKDLEDHWTZMPKP-ROUUACIJSA-N 428.493 1.717 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)C1 1620347605 YFPHUTJNUYRGJP-PXNSSMCTSA-N 438.573 1.888 30 10 IDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1=O 1627136500 KEGFIEXQDWLGTJ-QHRIQVFBSA-N 437.905 1.098 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1628849044 YJVWNNCJMYUTQV-HSALFYBXSA-N 448.608 1.942 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 1630045897 LFSUEKWVYVNDNL-UHFFFAOYSA-N 433.480 1.746 30 10 IDEE C[C@H](CC(=O)N1CCNC(=O)[C@H]1CC1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1630214623 GSEZQDGGVGZDTD-CRAIPNDOSA-N 446.573 1.801 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1635342106 BBQSYFYEUDWOCM-UHFFFAOYSA-N 433.530 1.539 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)s1 1635457517 ZIKUNRSXAUGYKP-HNNXBMFYSA-N 447.542 1.679 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1635554087 FGMOVIGPSZLJIJ-CYBMUJFWSA-N 441.472 1.723 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)C2)nc1 1638906616 YQXOKWPHILVQAS-KRWDZBQOSA-N 431.493 1.864 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CC[C@@H]([S@@](C)=O)C3)nnc12 1639104741 IPEGJBNSBNCJIB-PWRODJMOSA-N 445.570 1.738 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CNC(=O)c1ccc(C#N)cc1)CCO2 1639833151 CARVWZDIZVVTJW-UHFFFAOYSA-N 442.516 1.917 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 1641428289 HQWSZLCMAROHCQ-GFCCVEGCSA-N 443.975 1.292 30 10 IDEE N#Cc1cccc2c1CN(CC(=O)Nc1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1643654874 JZYPKWXEGKLAIV-UHFFFAOYSA-N 426.498 1.533 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)n(Cc2ccco2)c1C 1644411445 GCUONUYFWNMCNU-SJORKVTESA-N 430.530 1.923 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 1645433008 CQULNWUYKIJWMC-KRWDZBQOSA-N 448.545 1.885 30 10 IDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1647797190 UQWVMWUJSQGJAX-MRXNPFEDSA-N 434.338 1.971 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCc3c(sc(N)c3C#N)C2)CC1 1648291341 APTATCISPUVASV-UHFFFAOYSA-N 448.574 1.528 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(Cn3cnnc3)CC2)CC1 1654140636 XRIISELTKANPIT-NRFANRHFSA-N 425.512 1.538 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3nc(Cl)ccc3s2)CC1 1661771818 XUFRNQKFCJPVHF-UHFFFAOYSA-N 426.951 1.396 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C1CCOCC1 1687126294 KFWQSMMNHRCNQP-LJQANCHMSA-N 426.583 1.251 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)nc1 1689826555 QIFJMEMFJRZNOK-CVEARBPZSA-N 433.582 1.636 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1689848770 BGWKMYAEHCQYQM-SJLPKXTDSA-N 429.546 1.692 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)N(C)C)c1 1690029442 BUHSJOYYPRFPAV-SFTDATJTSA-N 435.528 1.825 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1690256668 RSEYNJZQDPJGET-CQSZACIVSA-N 435.554 1.830 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690364250 MJFLVINJEZHLFO-MRXNPFEDSA-N 428.555 1.098 30 10 IDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1691364816 VVBBYJSVTSQMEY-QFIPXVFZSA-N 437.504 1.402 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)cs1 1693359883 DBFYSAPQPKBUOL-YJBOKZPZSA-N 431.566 1.331 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1694604216 BIMQHDMRBKHLJO-AWEZNQCLSA-N 448.597 1.535 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCS(=O)(=O)C1 1696357224 QGWZZBTXMGZIMZ-UHOSZYNNSA-N 429.546 1.993 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)CCO1 1697910113 FFBJVRPOYSYEPH-HXUWFJFHSA-N 428.537 1.921 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705531446 KDECSNZGAQKGJJ-INIZCTEOSA-N 449.515 1.882 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1705570690 SMJIECRKFIKGPC-LJQANCHMSA-N 443.573 1.168 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1705580596 LKLXBIMWZRHYLO-WOJBJXKFSA-N 426.565 1.439 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1705590576 PQMOVUWLEWILHP-XMMPIXPASA-N 443.592 1.892 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1705614612 ORWXIXSEGHLWNS-ROUUACIJSA-N 449.552 1.852 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1705616928 JOXOOVQJWUTTQA-QFIPXVFZSA-N 443.621 1.807 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(CC)CC)CC1 1705643725 QHSYLNVMUCKYQL-SFHVURJKSA-N 443.596 1.210 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)CC1 1705781989 MANLXEHFYJCJPN-KRWDZBQOSA-N 442.607 1.407 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705900100 QFPMCRCIOBWBJL-UHFFFAOYSA-N 425.537 1.567 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1705900667 LVABYEVYULOUEC-IBGZPJMESA-N 437.504 1.567 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(O)CCOCC2)C1 1705915073 AFTFYJJBKIPDQN-AVRDEDQJSA-N 436.553 1.643 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(C#N)C1 1706659002 BZGDNHSNEYDGIE-HXUWFJFHSA-N 431.566 1.722 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1706941907 DPZZAVGJFIDXDU-VBKZILBWSA-N 445.524 1.626 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1722277443 NKUDDJRJUNDWED-DLBZAZTESA-N 444.605 1.445 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)C1(OC)CCOCC1 1722302206 QDIBCEWKYPPSOV-HNNXBMFYSA-N 425.480 1.689 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1722363083 YWDWPDSHDGCDIS-DNVCBOLYSA-N 432.575 1.648 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722369809 HHNXUVJZTUVURC-OALUTQOASA-N 437.610 1.706 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722694612 BOLZIDVNUMLAEZ-UHFFFAOYSA-N 446.515 1.738 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cscn1 1722729972 CXUOMRDXGQAYHB-UHFFFAOYSA-N 435.579 1.833 30 10 IDEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)c1 1724547248 CGSMHDQMLDUMAB-HXUWFJFHSA-N 432.550 1.845 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1729168528 QSKUONKMYMYROU-QHCPKHFHSA-N 439.564 1.042 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[C@@H]2COCCO2)c1 1740564094 ANROQELCOLGAPR-AZUAARDMSA-N 439.516 1.644 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCCC1 1740612533 VAZNAPJRNIEBHQ-UHFFFAOYSA-N 426.546 1.943 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740674857 WBBVEEHLQBEKCS-INIZCTEOSA-N 435.525 1.737 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2=CCCOC2)n1 1740689139 PUBMDNQDQCSCHM-LJQANCHMSA-N 439.520 1.059 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCOC)CC1 1740691765 CLYLZYLIJPJMAF-UHFFFAOYSA-N 427.505 1.135 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1740764979 MUMJHMSNFLNDLO-BBWFWOEESA-N 425.555 1.192 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1740790899 ZBFLRXIHIIUSEW-GOSISDBHSA-N 437.508 1.228 30 10 IDEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740888048 HVFPANTXQGDREI-SFHVURJKSA-N 426.521 1.972 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1740964662 SRLGAYQGFCFSQI-UHFFFAOYSA-N 433.534 1.011 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1740966358 SEMYVWGFHHDVDU-LJQANCHMSA-N 442.568 1.104 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCCCC2)C1 1740973170 RZAQTXRNVMKHCG-QZTJIDSGSA-N 440.614 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740987428 GXXRRHYPNXKOOG-MRXNPFEDSA-N 442.545 1.475 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@H]1O 1748332930 HWWHOIAWPHFUBS-WOJBJXKFSA-N 436.516 1.439 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1748905546 HMAHIFBEBJFTHG-KRWDZBQOSA-N 446.577 1.233 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCN2CCN(C)C(C)(C)C2)CC1 1749004520 LADWMXASISNZSC-LJQANCHMSA-N 443.640 1.783 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1749064998 QQHLACYCDNPOTA-XMMPIXPASA-N 447.543 1.956 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1749115446 QDXLLALWNPSJLW-WOJBJXKFSA-N 444.580 1.848 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1749147750 PTAYMCMXNIKGOT-YLJYHZDGSA-N 441.598 1.757 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749241411 MHROFXSPARBBBU-ULQDDVLXSA-N 428.555 1.218 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749650571 BSNFPLYTPFTUOS-JKSUJKDBSA-N 425.493 1.090 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749725465 VJDHIHAFNIFLTR-RTBURBONSA-N 443.573 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1749737914 APPWUFDZAMKDOU-UHFFFAOYSA-N 441.561 1.425 30 10 IDEE COCCOC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CCOCC1 1750039675 YLNHPAXMKCJPKS-UHFFFAOYSA-N 446.552 1.466 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1752425836 HQZNEDJNXFPTSV-SJORKVTESA-N 446.577 1.808 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1760104845 HVYIPDBMFDXACT-HNNXBMFYSA-N 435.550 1.702 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC(C)C 1760170165 RSEJNXSXHUTUIV-UHFFFAOYSA-N 427.534 1.528 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1760269106 YKOLOFPFSTWNFN-BQFCYCMXSA-N 428.537 1.010 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1760495321 KWGVASBEBPWART-KRWDZBQOSA-N 439.545 1.988 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccccc2OC)CC1 1760522914 GMCLNENHIXSLEC-UHFFFAOYSA-N 448.531 1.368 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3ccnc32)C1 1760534916 IURUXDJDSAPTNY-GVDBMIGSSA-N 449.581 1.444 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760712758 FAZCRKUMUZRTAJ-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1761360508 NZXTVAAAAORPEW-YOEHRIQHSA-N 448.531 1.845 30 10 IDEE COCCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1769639314 QYEFBGRMKYBAOL-QGZVFWFLSA-N 433.534 1.894 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1770126305 HOZKJKLGVIVQFV-HXUWFJFHSA-N 437.504 1.752 30 10 IDEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1770782397 ROQLEFGFDFFWHE-OAHLLOKOSA-N 447.490 1.738 30 10 IDEE CS(=O)(=O)c1ncc(Br)c(C(=O)NCC#CCN2CCCCCC2)n1 1850261416 BAXCJPRNQMLXNN-UHFFFAOYSA-N 429.340 1.252 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N(C)[C@H]2CCOC2)cc1 1853033139 ZCSDERAYSPZZDR-GHTZIAJQSA-N 443.525 1.704 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CC[C@H](N2CCCN(C3CCS(=O)(=O)CC3)CC2)C1=O 1854208111 AHWLTDBIYJPBNW-MJGOQNOKSA-N 425.595 1.301 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)[C@@H](C)C2=O)CC1=O 1855002522 POGCMVAZURSAAF-IRXDYDNUSA-N 433.530 1.086 30 10 IDEE CC(C)S(=O)(=O)N1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1855582002 YPRLQLFVDCSQKS-GOSISDBHSA-N 432.546 1.293 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cc2cncnc2)CC1 1855592384 BIIUJFLRHMIHQA-UHFFFAOYSA-N 426.498 1.866 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc4cccnc34)C2)CC1=O 1856804778 GLGCSHQDJPRPGH-CVEARBPZSA-N 431.470 1.117 30 10 IDEE CN(C[C@@H](O)CNS(=O)(=O)c1ccccc1C#N)S(=O)(=O)c1cccc(Cl)c1 1858028149 AUDPTUKVTVNJQB-HNNXBMFYSA-N 443.934 1.172 30 10 IDEE C=CCN(CC=C)C(=O)CNC(=O)C[C@@H](c1cccc(Br)c1)c1nn[nH]n1 1869027343 OECBIRJUNFODOJ-HNNXBMFYSA-N 433.310 1.801 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)cc1 1870097103 AQJQMTFOQSNGHW-UHFFFAOYSA-N 441.429 1.865 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)ccc21 1891917786 QAWHCFCJLLHCPR-INIZCTEOSA-N 427.486 1.489 30 10 IDEE CCN[C@H](C#N)Cn1c(C)nc(I)c1I 1928099358 WOHSLHJEUBTUQM-SSDOTTSWSA-N 430.031 1.902 30 10 IDEE N#Cc1cc(S(N)(=O)=O)cc(I)c1I 2055360782 XEHYNRYWFPRKKH-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085657525 VILXCFAHXXIKCA-ZDUSSCGKSA-N 434.302 1.088 30 10 IDEE N#Cc1cc(Br)cn(C[C@@H](O)CCCN2C(=O)c3ccccc3C2=O)c1=O 2213747901 FERUYUCHAHVBCD-AWEZNQCLSA-N 430.258 1.920 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248398430 UDJOLSBMVKBLNU-CQSZACIVSA-N 435.355 1.975 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255820546 RQYOTMBSBXWXOC-CQSZACIVSA-N 432.330 1.625 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255831037 PDKKFUGHGZJCTM-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255880118 ZUWCQEKYOQVPSQ-SJORKVTESA-N 432.326 1.696 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@H]21 2267166259 PPNZDIBFUHQJOA-OWCLPIDISA-N 444.341 1.904 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2267187549 ZQBUNPYBWROHAM-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12 2267189158 WKUNVXWFVATQPL-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267272020 WHEYWLHUVRISEL-UHFFFAOYSA-N 447.341 1.483 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2267592694 GCRPITGTJLOBMX-CYBMUJFWSA-N 441.259 1.912 30 10 IDEE Cc1ccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1C#N 2286023325 ZDJLSKBCPOVWTE-SFHVURJKSA-N 431.470 1.666 30 10 IDEE C=CCn1c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 2324807724 QZHOOKUUYWELKU-UHFFFAOYSA-N 447.539 1.696 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2327884307 KDEDPVIDFWBIDZ-ZDUSSCGKSA-N 447.517 1.951 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O 2333114460 HOGQKHLSLTVXHT-JXJRQGLWSA-N 440.514 1.385 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2337192256 JTZVSAJUUDMGOJ-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1-c1cccnc1 20829970 MJRHMJIFYXXEBU-UHFFFAOYSA-N 448.559 1.686 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 72444374 AIKLEMOFSXCUEG-CABCVRRESA-N 441.875 1.990 30 10 IDEE COC(=O)c1ccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)cc1 170178830 AROBUANBSVMCAG-UHFFFAOYSA-N 446.511 1.818 30 10 IDEE C=CC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 410069520 RRMHQNHPKPUSPX-HIFRSBDPSA-N 431.352 1.903 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@@H]1CCCO1 447268372 VIJZDAPSWVMXGY-ZDUSSCGKSA-N 435.958 1.585 30 10 IDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 473562563 QYNQXXKVSZZOCZ-FQEVSTJZSA-N 437.562 1.861 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O 482141620 KAPNFLXLHVMSRW-KXBFYZLASA-N 426.498 1.489 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 508867261 PGHSKHCKKJKTKG-IBGZPJMESA-N 432.569 1.371 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccc(F)cc1 514479544 PFVAEUWSVFBNAB-UHFFFAOYSA-N 445.422 1.889 30 10 IDEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)n1 546806196 MKEHEKQMRDRBBV-UHFFFAOYSA-N 426.480 1.867 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 549693581 RNONAAZIUCKQTD-GOEBONIOSA-N 438.554 1.865 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(C)CCC)C1 555285136 IATQQDHBQHEXAD-ZWKOTPCHSA-N 440.614 1.355 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2C[C@@H]2CCCO2)c1 559100565 KNHBEPVSBLVSED-FQEVSTJZSA-N 435.532 1.396 30 10 IDEE CN1CCC(C#N)(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CC1 570731697 RIDYOJAIKFOQSA-PQWGXEMDSA-N 444.535 1.570 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 572169326 LUNHVZJOYAQTIY-UHFFFAOYSA-N 431.518 1.864 30 10 IDEE N#Cc1cc2c(nc1N1CCN(CCn3nc4c(cc3=O)CSCC4)CC1)CCOC2 585588611 PIXZBWYLEVGAFI-UHFFFAOYSA-N 438.557 1.194 30 10 IDEE CN(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccs1 616172713 YGFDVSBYIMGHMJ-QGZVFWFLSA-N 447.586 1.939 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cscc2Cl)c1=O 676411788 ILCUUPGTRBQJII-UHFFFAOYSA-N 435.958 1.585 30 10 IDEE C#CCN(C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 729335669 TVIPFTIOHQTWSM-ZIAGYGMSSA-N 429.325 1.995 30 10 IDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 732648404 ULTHNCWOSZKZKK-QAPCUYQASA-N 447.517 1.194 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccccc1 732795436 HKXXIZAPVRLXEY-UHFFFAOYSA-N 433.537 1.541 30 10 IDEE C#CCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCCC 733247155 ZIZDMMLHFAHBCR-UHFFFAOYSA-N 446.573 1.929 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3cccs3)c2=O)cn1 735067867 ATMVNYGLJIEWGK-UHFFFAOYSA-N 439.566 1.408 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 735116256 FKFCIEKCCHBGND-ICFOKQHNSA-N 435.362 1.853 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H]1CCOc2ccccc21 742144497 OHWVXGSBGFOECM-SFHVURJKSA-N 435.505 1.902 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CC[C@@H](S(C)(=O)=O)C1 752197966 DFIHPHGPKKNRLT-FMKPAKJESA-N 442.559 1.649 30 10 IDEE COc1cc(CC2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)cc(OC)c1 754378204 LFCZTZDUGSEMND-UHFFFAOYSA-N 443.525 1.834 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757448467 NBSYKZOZBDYTNI-HXUWFJFHSA-N 434.448 1.575 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 772882990 KJSJPTQXOWCACL-QGZVFWFLSA-N 445.545 1.456 30 10 IDEE Cc1ccn(C[C@@](C)(O)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(=O)c1 790693616 BILLIPNXVBOWPU-LRTDBIEQSA-N 429.498 1.900 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1 793020604 LZFVRRZNWLZFHP-DTWKUNHWSA-N 433.412 1.976 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794585713 VLIFEWDPCMYDMW-QGZVFWFLSA-N 434.521 1.440 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC2=CCCOC2)C1=O 807934792 AKKKJWCBYMCWNH-NWIBBQCFSA-N 445.589 1.339 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812308509 QAZYKXJSJCFBGV-IRXDYDNUSA-N 444.513 1.480 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)ccn2)cn1 814709278 XIZQZIVTZJYYIC-SFHVURJKSA-N 443.577 1.806 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)cn1 1084282646 PTTDGPXYWWKSPT-UHFFFAOYSA-N 445.465 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC1(C(N)=O)CCOCC1 1136197296 ZNCWZZUFPWBJLG-SFHVURJKSA-N 442.516 1.791 30 10 IDEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(N)=O)C1 1169487406 QXQDBKIVKBOXGM-OAQYLSRUSA-N 449.507 1.919 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1254049067 VNZATJNWHCUXAN-KRWDZBQOSA-N 430.509 1.421 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286335822 MNHVJRYSLHBSHS-ACRUOGEOSA-N 431.581 1.964 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1286336194 PSODDVVAEPNYHV-UHFFFAOYSA-N 426.569 1.502 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1Cn1cccn1)[C@H]1CCS(=O)(=O)C1 1286396963 ZFAPJOCFPLRRET-FQEVSTJZSA-N 438.557 1.760 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1-c1ccccc1 1286401297 PCLQOPCSSIFXPV-QHCPKHFHSA-N 431.500 1.632 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1286478607 GVYCHAUHQVNVEG-VGSWGCGISA-N 429.952 1.817 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(N)=O)cc2)CC1 1286481884 KAAVKGRARJISML-UHFFFAOYSA-N 430.516 1.558 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286509545 SUWMRRGBXQPPJR-RDJZCZTQSA-N 434.591 1.622 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1286553736 FYBHYDIGESKADI-NUJGCVRESA-N 432.525 1.489 30 10 IDEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1286599226 QJSZGQIBUKGYFB-ZIAGYGMSSA-N 443.480 1.707 30 10 IDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1286612487 FZNLATHRCUWTDD-UHFFFAOYSA-N 444.536 1.920 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OC)C1 1286780581 GFFNKHVJUNQIIH-MRXNPFEDSA-N 432.912 1.389 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286819955 AUACHQWZKJHAMN-IKGGRYGDSA-N 437.566 1.020 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1288311034 BJSPZKHFLZLYIR-WOJBJXKFSA-N 440.495 1.830 30 10 IDEE COCc1nc2n(n1)C[C@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2 1294664525 GJVRQUKELKYSDJ-XNROWMOSSA-N 444.536 1.642 30 10 IDEE COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1299024822 FLSTUIFRBTXHBF-RDTXWAMCSA-N 441.513 1.635 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300358421 TYTKHXLUENIRAT-KRWDZBQOSA-N 431.566 1.646 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1300365505 YEWZSCFHAFEWLO-QGZVFWFLSA-N 441.598 1.666 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1300490653 ANZFTZFUQTUZPR-LJQANCHMSA-N 441.557 1.580 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300491417 HOFKHMSXMTVDGK-AZUAARDMSA-N 448.637 1.198 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300502859 YRVHLVSCBFRMOR-OALUTQOASA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1300545179 KPEBOFRVJQGLEQ-UHFFFAOYSA-N 430.512 1.672 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2[C@@H]2C[C@H]2CF)n1 1300675996 JSEJZTTULBHOHW-FUHWJXTLSA-N 429.500 1.527 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1300706517 OWWYYWHCYQXKQQ-UHFFFAOYSA-N 449.647 1.845 30 10 IDEE C=C(Br)Cn1c(N(C)CCCC(=O)NC)nnc1[C@@]1(OCC)CCOC1 1300861303 FSSMQJPQTVQMOK-QGZVFWFLSA-N 430.347 1.801 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1 1300899294 CYOUWMQFOAIRAF-HNNXBMFYSA-N 434.566 1.699 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(N)=O)CC1 1301245447 HUOHKRXRUFDWIN-UHFFFAOYSA-N 437.508 1.215 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1301508636 OTDMCELHIFCJPW-YCRPNKLZSA-N 446.577 1.710 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)S[C@H](C)C1 1301509264 DWANEERKGUGZDE-ZIAGYGMSSA-N 434.591 1.902 30 10 IDEE COCCOCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1302238580 RDBJHZSGADSWSW-INIZCTEOSA-N 428.541 1.615 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSC2(CCOCC2)C1 1302456878 DWBRBEUIOVYNEO-UHFFFAOYSA-N 447.586 1.964 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2)nnc1N1CCS(=O)CC1 1303095405 DJSQBHMZXSDODG-HTXNQAPBSA-N 426.502 1.040 30 10 IDEE COC(=O)c1cc(C2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)[nH]n1 1304854327 DAPBWWXZMLLJEE-GFCCVEGCSA-N 427.848 1.700 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCO[C@H]1C 1305530638 CBYRBJBJLBTWIK-DOWNOZBLSA-N 440.552 1.708 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1305789231 DDNAVGQXKIDBCS-FWTHMSADSA-N 430.553 1.866 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccsc3C#N)CC2)cc1 1309038472 KBUXZRRTPJOFSK-UHFFFAOYSA-N 439.540 1.518 30 10 IDEE Cn1cnc2cc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 1313297592 GGVGWFSOHGZXTH-UHFFFAOYSA-N 438.513 1.661 30 10 IDEE CCCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313488326 RMKWUNISVBQXSH-CQSZACIVSA-N 443.508 1.063 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315821148 LQRJQCBTNHHKDW-IXDOHACOSA-N 444.515 1.533 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2CC(=O)N2CCOCC2)c1 1316528175 ABKPSVSKVJVWKX-UHFFFAOYSA-N 438.532 1.664 30 10 IDEE COCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1349137662 SUUVAOWBAMTVAD-HOTGVXAUSA-N 431.555 1.626 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1359059339 JZXKYXQKONBYNC-QGZVFWFLSA-N 449.627 1.627 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359471444 SILBSDFGIGHOPL-JFIYKMOQSA-N 444.565 1.535 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1360273912 DDHKQVSBHWKMIN-QGZVFWFLSA-N 425.537 1.498 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 1447862825 BOSNILDGWIAOLH-JOCHJYFZSA-N 440.525 1.881 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1459929969 GHGQWEOTDAYJNN-JOCHJYFZSA-N 448.571 1.852 30 10 IDEE C=CC[C@@]1(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 1461156595 AWZQSVNYWCEWEA-UXHICEINSA-N 428.551 1.748 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)c2C#N)C1 1461784197 AGGUEUKKDIQCHP-LLVKDONJSA-N 429.502 1.716 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)N3CCOCC3)n[nH]2)c1C 1464775202 QQJKULJDBSGKIJ-IBGZPJMESA-N 426.521 1.930 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCc3c(OCC(N)=O)cccc32)c1 1468248353 WUSXXSGHVHCIBC-UHFFFAOYSA-N 429.498 1.608 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(=O)n1CCO 1473079327 QVCFYLOMUDLAFX-NRFANRHFSA-N 432.480 1.283 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCO[C@@](C)(C#N)C3)cc2)C[C@@H](C)O1 1473838009 QFWULKLXSGTAIR-YRNRMSPPSA-N 436.534 1.037 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1504999023 MFBBDQRSZFYQAT-CVEARBPZSA-N 441.554 1.088 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1507534057 QNBPNSCBCIBYEY-MWTRTKDXSA-N 436.516 1.845 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507632532 MWQCDSLXBHOELL-ROUUACIJSA-N 436.578 1.616 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1507715865 JJNSUCBKYIIGOB-WOJBJXKFSA-N 427.597 1.390 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507789641 GSBURSIZWVEBRC-RYUDHWBXSA-N 426.271 1.423 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507936275 AARFDFDISLDLGO-GOSISDBHSA-N 429.569 1.223 30 10 IDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1507995849 RGFKLGYCKQPFAM-FMQUCBEESA-N 425.493 1.082 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1508074504 QJVAWPVKENZDRJ-UHFFFAOYSA-N 443.939 1.744 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1516968831 GFWVXIWOZBTMNG-CVEARBPZSA-N 447.540 1.557 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519050468 WFDARYSVJBAWGX-QFIPXVFZSA-N 448.575 1.962 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1539071849 FZSKBEYXRWPNAE-XLIONFOSSA-N 434.566 1.545 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)CC(F)(F)F 1539162678 WPDALOHMRMQORW-UHFFFAOYSA-N 433.442 1.874 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539200548 KJJMNBGKDXGKSW-MJGOQNOKSA-N 443.573 1.847 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1539332354 NSUDXYFAQIPQMF-KRWDZBQOSA-N 431.587 1.922 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H](C)C(=O)NC 1539645418 NSCVWUFWVCRQAA-BCYZHJNNSA-N 435.569 1.802 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CCN(c4ncccc4C#N)CC3)=NO2)C1 1539674933 JUSLJQFROLTHHR-QFIPXVFZSA-N 440.504 1.758 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539824505 VOVFPGQDHSTVIS-RBSFLKMASA-N 436.944 1.096 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCN3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N 1543001839 DYOAPDPEYKZGSC-IAGOWNOFSA-N 441.584 1.326 30 10 IDEE C#CCN1CCCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1544078102 BBGMZVZEWCSASX-UHFFFAOYSA-N 437.871 1.805 30 10 IDEE CC/C=C/Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1546794219 UIESKQCZHFVYFT-OAJJDEHYSA-N 441.561 1.740 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554690732 ODYPXJUPBKSQIZ-KMAZBDISSA-N 444.536 1.704 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1558817341 QSLDZMUMENPVRI-UHFFFAOYSA-N 431.514 1.857 30 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442.541 1.729 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1588645835 DBIYWLCPLHKVAR-LSDHHAIUSA-N 430.621 1.115 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N(C)C)CCSC1 1588673470 PGKRRSDONJRSIC-OAQYLSRUSA-N 431.610 1.663 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCN(C)C2)CC1 1588864586 GTZRPYKIDDKAOP-DEOSSOPVSA-N 438.576 1.296 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589096835 HLTVJFDZJUDZMB-UHFFFAOYSA-N 447.630 1.901 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC)C1 1593763345 HLDMNFUTLKXWLQ-INIZCTEOSA-N 446.577 1.825 30 10 IDEE CC(C)(C)OCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1597667955 XRXVKRGNMLIACP-MRXNPFEDSA-N 433.534 1.892 30 10 IDEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1I 1617488354 XGNTVUPAAZFZNN-WFASDCNBSA-N 430.267 1.610 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1(C)C 1619517268 LLPYXGHEIFUUKJ-DYESRHJHSA-N 445.545 1.228 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C[C@@H](C)O1 1619736520 DISOOVRABZMSAO-FYINFDKHSA-N 429.546 1.925 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1620075659 LLEJINRQSRAIHD-HXUWFJFHSA-N 440.548 1.638 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1623969808 UFFZNXZRVXBSEG-SSEXGKCCSA-N 441.550 1.440 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 1624283241 HVUXLSSTWJFGKM-OWCLPIDISA-N 440.525 1.708 30 10 IDEE CCOc1ccc([C@H](O)C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1625252663 GLQBBGVATJZWJB-FQEVSTJZSA-N 426.473 1.582 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccc(C#N)s3)CS(=O)(=O)[C@H]2C1 1626826977 SYVFESUEDRTJEM-WQVCFCJDSA-N 439.559 1.906 30 10 IDEE C#C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 1629889385 RQSZHKPVEMIQAF-JQHSSLGASA-N 426.922 1.009 30 10 IDEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1632819527 RCGTWKNQLDZEAB-YVGXBJCXSA-N 434.562 1.703 30 10 IDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)C1 1636906500 FALSKTXMDFOAHY-UHFFFAOYSA-N 436.246 1.339 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)C2)C1 1638187727 BEMMTFSQZQITJF-ZZPBVIFJSA-N 425.551 1.714 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(C(=O)NO)cc1 1639587152 QFAMIWIUMGUOTL-UHFFFAOYSA-N 432.285 1.707 30 10 IDEE CCOC(=O)[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H](O)c1ccc(Cl)cc1 1641013734 QRHGTBADSLBJIU-SRKGJJLTSA-N 435.864 1.338 30 10 IDEE Cc1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 1644005379 CHWWBUNTCJKBDJ-HOTGVXAUSA-N 444.513 1.465 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1647999001 WUEQMJWBKBGDJD-RBUKOAKNSA-N 442.516 1.974 30 10 IDEE CC(C)c1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccccc1Cl 1648787366 NQWOWICFDPINTE-UHFFFAOYSA-N 439.863 1.875 30 10 IDEE Cc1cn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2s1 1652861538 GOSCGMVPBCKTLA-UHFFFAOYSA-N 429.527 1.443 30 10 IDEE N#Cc1cn(CCC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c(=O)nc1O 1653069432 NEEKTZXKHGICOV-IBGZPJMESA-N 447.289 1.483 30 10 IDEE C[C@]1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CCO1 1654932787 PKESIZSXXWXDNA-QGRTWZNFSA-N 432.477 1.593 30 10 IDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1655843824 JMDBBDRIROBAJD-RBUKOAKNSA-N 437.585 1.246 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)OCC 1664952118 TUQHKBQHPKBOJS-CQSZACIVSA-N 430.910 1.724 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC[C@H](O)C(=O)OCc2ccccc2)cc1Br 1665717301 GZTZFGSRIGYTOX-INIZCTEOSA-N 439.287 1.703 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)CC1 1668330052 JYXCKUOECNIFFL-UHFFFAOYSA-N 436.925 1.451 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)CC1 1681962458 ASQMOGIEZWLEPA-HNNXBMFYSA-N 435.525 1.043 30 10 IDEE C#CCOc1ccc(CNC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1686550380 RWECJIUAPKHDJN-UHFFFAOYSA-N 446.485 1.727 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCOCC1 1689840236 VZRQVVYSTTXTJJ-QGZVFWFLSA-N 435.536 1.490 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689987761 BTUPOTSPSCWIFR-MSOLQXFVSA-N 443.577 1.094 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CCCO 1690066998 QHNFQSVFOBXXPR-FQEVSTJZSA-N 435.536 1.227 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)N(C)Cc2ccccc2)CC1 1690122405 PUAVEGLZVCIWRF-UNMCSNQZSA-N 449.603 1.895 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C(C)C)C(C)C)CC1 1690144355 WCXLHKPNBMXPFV-IBGZPJMESA-N 443.596 1.314 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1690167918 QBTYIVLITCRTKE-KRWDZBQOSA-N 444.582 1.947 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@@]1(OCC)CCOC1 1690185749 GCURYQWHMQAZSM-OXQOHEQNSA-N 431.566 1.767 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1690624021 CVUOLEURTAVBJH-UHFFFAOYSA-N 448.568 1.906 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690659188 MHUKODPXTSWVRC-OCCSQVGLSA-N 446.474 1.655 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2)C1 1690670962 MNWGCSHFAGGKAC-QZTJIDSGSA-N 429.546 1.476 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690673404 VGKMSALFUQPFMJ-XMMPIXPASA-N 438.576 1.781 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690715742 STLRNQZHMROGTB-KRWDZBQOSA-N 433.582 1.898 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)COC)CC1 1690742158 IDFFAJTTYHQKQH-UHFFFAOYSA-N 448.549 1.220 30 10 IDEE CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1692428239 URKUYWQUNOYVDR-RHSMWYFYSA-N 425.493 1.435 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1692586771 PMLTUSWPWUXWAR-LEWJYISDSA-N 436.532 1.923 30 10 IDEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1694194918 BLUCYUOJQZBXRI-SFHVURJKSA-N 439.564 1.842 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1694221888 BUYQXKJGPASSTA-APWZRJJASA-N 437.504 1.762 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705568840 VYVKCVDBIPZPQS-RBSFLKMASA-N 433.559 1.477 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1705612274 DEUOYMZDOCUWMY-OAHLLOKOSA-N 438.579 1.160 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1705637994 UFHPHPNSBHZYMY-UHFFFAOYSA-N 440.552 1.794 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCOCC2)CC1 1705781399 YFOQTRPLOOEWAI-HZPDHXFCSA-N 426.587 1.011 30 10 IDEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1705910270 XKCKXJNZCIFWEE-HXUWFJFHSA-N 434.500 1.904 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(=O)(=O)Cc1ccccc1 1710744575 HLQNJQISJWFBOZ-SFHVURJKSA-N 433.534 1.548 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722362368 SVSBTSOQKLGINH-HNNXBMFYSA-N 443.920 1.459 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CSCCS2)CC1 1722430664 HXTGLRXHFSHDHU-IRXDYDNUSA-N 425.624 1.606 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1722473598 FZDUNDKXPHWBSA-DYESRHJHSA-N 436.578 1.758 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722688767 LFFBXHMVSOWHNO-JKSUJKDBSA-N 444.511 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722729144 WYYDXHQXKOVHOE-ZWKOTPCHSA-N 425.599 1.234 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCOC2)C1 1722729246 GTUNHTLOEKPWCE-LJQANCHMSA-N 437.591 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722737202 WWQDWDVMPGWBCV-GVDBMIGSSA-N 426.539 1.115 30 10 IDEE COC[C@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1730480038 JQAYUSSAKFXWDQ-HUUCEWRRSA-N 435.456 1.684 30 10 IDEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740571046 WHVODAVUKHOJMZ-HNNXBMFYSA-N 444.898 1.688 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1740621265 KCOQCIJZGGBEGQ-QGZVFWFLSA-N 439.545 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NC(C)C)CC1 1740704503 QYWCOPANXXLDTF-UHFFFAOYSA-N 438.532 1.444 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740709055 IQEULRNXCFUWJN-JYJNAYRXSA-N 427.596 1.403 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740719472 GBFZNMKAPOAARM-KRWDZBQOSA-N 427.578 1.569 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740958125 IRALNVXKANWMHK-KRWDZBQOSA-N 431.585 1.275 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1740987334 FDMCVWKKKZJQAT-UHFFFAOYSA-N 447.561 1.517 30 10 IDEE CC(C)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1741514175 XWGIFYZYRPOVHS-QGZVFWFLSA-N 436.538 1.606 30 10 IDEE CCNC(=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCC1 1746492313 JIWVVMQHQZCMIW-QGZVFWFLSA-N 439.476 1.888 30 10 IDEE 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C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1752452636 QSVKJMRUMXYGAJ-YWZLYKJASA-N 433.534 1.228 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1760185214 SEVPUNFAWNRANA-HNNXBMFYSA-N 445.936 1.517 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1760188468 AFAMMAZRLAYPBF-GOSISDBHSA-N 431.562 1.563 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760201748 ZJJPCSTXLXYZQA-UXHICEINSA-N 438.557 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CC 1760245769 LIAGIXDQQVPDET-HXUWFJFHSA-N 435.536 1.491 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1760249488 MPXBLVOOBQLZPO-SFHVURJKSA-N 432.546 1.518 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760326474 WNLHWMVAPGKQQP-FCEWJHQRSA-N 439.582 1.251 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1760495591 RWCHUMABWAFIKW-OAHLLOKOSA-N 435.575 1.850 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1760522699 BGATZBKBQSMZMK-LJQANCHMSA-N 432.532 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760548818 QEPKHVDLBLSIHB-DLBZAZTESA-N 437.566 1.120 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1765671501 GEVDAJAREAFZAW-GOSISDBHSA-N 444.561 1.640 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)CC1 1767100008 BYVYNDUHYSNAKN-GOSISDBHSA-N 425.585 1.835 30 10 IDEE Cn1nncc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1767535553 PERUWQUSAXAVQI-MNVSYLFESA-N 445.503 1.668 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1767737010 FQEZJVZQVFWIML-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1767748469 CEPAZXLMLQVWKD-UHFFFAOYSA-N 427.578 1.828 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1768018766 SPEGLDIMNBWREI-MRXNPFEDSA-N 439.520 1.025 30 10 IDEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)c1 1768785181 FLNFHDVIRGHIMJ-UHFFFAOYSA-N 433.534 1.755 30 10 IDEE COCC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1770690500 MMOQDRGYKBMPOI-UHFFFAOYSA-N 435.488 1.508 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)OC 1770763104 QTLZDTQNIUTBKS-QMMLZNLJSA-N 440.548 1.635 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCCN(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772788630 CJWXGTZSVYXCRF-OAHLLOKOSA-N 431.445 1.647 30 10 IDEE CC#CC(=O)N1CC[C@@H](NC(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)C1 1775939856 YIPACBVLRBCOLL-MRXNPFEDSA-N 426.473 1.817 30 10 IDEE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NCC#CCN1CCOCC1 1850334285 LWXRHWPGGBHMSW-UHFFFAOYSA-N 434.345 1.114 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)CCOCC2CCN(c3ccc(C#N)cc3)CC2)CC1 1851477561 NNLXDENMNWLSIY-UHFFFAOYSA-N 448.589 1.675 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855750531 DVNOSCDVYBMXTJ-CVEARBPZSA-N 433.530 1.918 30 10 IDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC3(CC2)OCCO3)nn1C 1869973940 NUSCKQWUGZBNIF-UHFFFAOYSA-N 429.477 1.741 30 10 IDEE COc1cc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1OC 1870151273 QUVWXYOSRURLRS-GFCCVEGCSA-N 428.449 1.360 30 10 IDEE CN(C)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870349518 QTGZQZPAEJMCKA-UHFFFAOYSA-N 428.533 1.037 30 10 IDEE C=CCOc1cn(C[C@H](C)O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870385774 LVAVARMHHIAMQE-SFHVURJKSA-N 441.528 1.840 30 10 IDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(CCO)CC2)nc1-c1ccccc1 1872800259 PMIYJIQCYOWRNL-KRWDZBQOSA-N 442.541 1.773 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCCN3c3ccccn3)CC2)CC1 1889434170 RQOFNXJIRZJKRE-HSZRJFAPSA-N 439.604 1.699 30 10 IDEE COc1ccc(NC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1OC 1889548570 JBKDISFBFYBOBV-UHFFFAOYSA-N 430.549 1.968 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1985006344 BWERORUJQGRJQC-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCB2OC(C)(C)C(C)(C)O2)S(=O)(=O)C(C)(C)C1 2020877505 ITALCUMNHJIUEI-ZDUSSCGKSA-N 446.375 1.547 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC(O)C1 2022889414 GIDYZHPWAIFUAT-VEBLATHCSA-N 438.525 1.624 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124535680 XSHQBKZSKUBWQM-QZTJIDSGSA-N 446.353 1.972 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2243434598 AOCXZBKULIEPNN-KGLIPLIRSA-N 432.348 1.074 30 10 IDEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626782 KLVQNUCFQWKIEQ-UHFFFAOYSA-N 438.334 1.370 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](O)C1 2255707339 VEGYGTRQUQIIBO-HOCLYGCPSA-N 435.330 1.414 30 10 IDEE CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815154 JLEPWNRNECCPKL-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE Cc1c(C(=O)NCC=CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832674 PRCRQPBHJKRJDM-UHFFFAOYSA-N 434.346 1.838 30 10 IDEE Cc1c(C(=O)NOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832710 QGPJOQQIJHROQU-UHFFFAOYSA-N 438.334 1.604 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255840943 UPFCCYZATJHSJI-WDEREUQCSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256680563 YTWKWAFBCVITMO-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2259116024 LQNYUUQXHVEULX-UHFFFAOYSA-N 433.358 1.986 30 10 IDEE Cn1cc(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267171197 GQTDLIVGVISKPY-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267185486 VVFTVCBIKNMSKJ-CQSZACIVSA-N 448.325 1.775 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267272060 WOVWVJHYYWNFBA-MRXNPFEDSA-N 447.341 1.747 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)n1 2267543974 NIUIETGXNUCOBT-ZIAGYGMSSA-N 449.361 1.680 30 10 IDEE COC[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)OC 2282832978 DYYHVJOLYJBJKP-SNVBAGLBSA-N 425.765 1.640 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2c[nH]c3ccccc23)CC1=O 2329013156 MQBKXRXMRZRPDS-ZDUSSCGKSA-N 425.518 1.943 30 10 IDEE C#CCN(CC(=O)Nc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 111047354 PEWMXQHQJQZSLO-AWEZNQCLSA-N 432.283 1.352 30 10 IDEE C#CCOC[C@H](O)CN(CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 169679043 DZFDVRXUYBROFD-HZPDHXFCSA-N 433.574 1.959 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc2oc(Br)cc21 223723905 QAWSVWDZPZMCJE-UHFFFAOYSA-N 444.351 1.985 30 10 IDEE C[C@H]1CN([C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)c2c(F)cccc2F)C[C@@H](C)O1 301309288 XLOJLSFJLOBDDJ-AHIWAGSCSA-N 433.459 1.496 30 10 IDEE C[C@H](C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)n1cnc(C#N)n1 409475298 NDQOHBDYIZQYJE-NEPJUHHUSA-N 432.282 1.746 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@@H]1CCO[C@@H]1C(=C)C 427474152 PIODWMRBXNIYQA-GXRSIYKFSA-N 449.592 1.226 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 427654409 BUWBNJSNYXIFOB-DLBZAZTESA-N 435.480 1.597 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@H]1CCCO1 447005142 GAJNHHIOCUOYGE-MRXNPFEDSA-N 435.505 1.617 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 460611652 WGWPBRSQIQHYGF-LPHOPBHVSA-N 430.468 2.375 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 478746302 LSTCBJNGIUQLAG-FUHWJXTLSA-N 442.512 1.727 30 10 IDEE CCCCc1nnc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 484983389 BFFNLUZJANEYEM-UHFFFAOYSA-N 448.574 1.697 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 488566182 NZMYHOQLBGNWMF-RYUDHWBXSA-N 432.868 1.975 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc(C(F)(F)F)n1 489109809 ZECCKMCLBURDOC-GFCCVEGCSA-N 426.420 1.998 30 10 IDEE C=CCc1cc(CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)cc(OC)c1OC 489284975 IGNMOEIQZQTAQX-UHFFFAOYSA-N 425.551 1.903 30 10 IDEE O=C(NCC#Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 490137957 DBDKFZRLGYMPOR-IBGZPJMESA-N 426.494 1.746 30 10 IDEE N#C[C@H](NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(Br)cc1 499431758 PIKMDVBKMMWWDO-ZWKOTPCHSA-N 449.349 1.843 30 10 IDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cn2)C[C@@H](C)O1 503398639 RKCTZPIYXYPUCO-VTJXTGGHSA-N 433.509 1.719 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 504033510 FMWDPEYYOFJDRT-UHFFFAOYSA-N 446.529 1.882 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 508921332 LKQKLJCPQARCBN-MOPGFXCFSA-N 447.561 1.245 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCO2)CC1 514878652 VETFXCOKBKIXHF-SJORKVTESA-N 425.555 1.337 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 522308917 MEGGRNQHEYGFIN-NRFANRHFSA-N 429.565 1.462 30 10 IDEE N#Cc1cccc(NC(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1 535841542 WHYFFSUMZNIATJ-UHFFFAOYSA-N 426.498 1.739 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC)CC1 549358233 URKZSVSCVOFWOE-UHFFFAOYSA-N 444.536 1.415 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 555264817 XQRJYAAPILONAC-QZTJIDSGSA-N 433.582 1.881 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N(C)CC(=O)Nc1ccc(Br)cn1 562029993 VVQRMVNNCHKZGV-CYBMUJFWSA-N 437.298 1.784 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4cnccc4C#N)CC3)cn2)C[C@H](C)O1 562348739 NGMVBWVPZPHKBM-ROUUACIJSA-N 435.532 1.994 30 10 IDEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 569220859 CBJJDMJKWKZWJZ-GOSISDBHSA-N 434.905 1.827 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1-c1ccc(F)cc1 603826469 MWNSRQWDCSJVDI-UHFFFAOYSA-N 445.422 1.889 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CC(C)C 611916228 VVEZZFZUGKPFIZ-UHFFFAOYSA-N 436.537 1.380 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)CC1 727447248 VMLLYPYIQVUHJW-QPEQYQDCSA-N 428.352 1.669 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1cccc(C)c1 735069281 RNTQQIPTYLZMEE-UHFFFAOYSA-N 435.553 1.843 30 10 IDEE CS(=O)(=O)[C@H]1CCCC1=NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 741450846 CLKIQKWZQKLDRJ-INIZCTEOSA-N 430.508 1.744 30 10 IDEE CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ncccc2C#N)CC1 746429953 ZCDYXVJARGPMHP-UHFFFAOYSA-N 432.462 1.370 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 747143668 NQGYPPYSBIYGJQ-OAHLLOKOSA-N 443.481 1.793 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)Cc3cccc(C#N)c3)C2=O)cc1 750432339 AJYWFCWUOLTCCT-QFIPXVFZSA-N 436.424 1.151 30 10 IDEE Cn1cc(C#N)cc1C(=O)OCC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 751724039 JCVJZDIAZRMWEO-LZYBPNLTSA-N 439.453 1.301 30 10 IDEE COc1cc(OC)cc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c1 752158447 YKTRNBMPBRPXIC-INIZCTEOSA-N 443.481 1.575 30 10 IDEE N#Cc1cccc(N2CCN(Cn3nc(-c4ccco4)n(CCC(N)=O)c3=S)CC2)n1 760551301 LHDCRLFSDPLSNA-UHFFFAOYSA-N 438.517 1.596 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)cc1C#N 761068131 XTDXARWVZWDFDT-UHFFFAOYSA-N 434.452 1.861 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768665035 NGSPQLQVECUATJ-UHFFFAOYSA-N 432.277 1.082 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1)c1cc[nH]n1 770825446 UBVSDITZQWYMFY-OAHLLOKOSA-N 431.474 1.234 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774582297 LLAIQAWLNYORQF-OAGGEKHMSA-N 436.509 1.529 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 780204133 FYSSNCNKKKOYRN-HAVVHWLPSA-N 431.518 1.590 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Cc4ccccc4CC#N)CC3)C2=O)n(C)n1 780559877 DIJMJOODSGKFCR-OAQYLSRUSA-N 434.544 1.677 30 10 IDEE COc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1C#N 780845036 WWYVJBBDEHOVFB-UHFFFAOYSA-N 426.498 1.853 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)c1 780863906 SQUDETHUCCLFAF-HSZRJFAPSA-N 435.484 1.687 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c2=O)c(C)n1 781648997 LRWVFBFUOUYEJN-UHFFFAOYSA-N 428.558 1.614 30 10 IDEE C#CCN(C(=O)NCc1ccc(I)c(C)c1)[C@@H]1CCS(=O)(=O)C1 798476942 QLQAMVMXWLQVLX-CQSZACIVSA-N 446.310 1.932 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cnn(C)c1 803108122 MYRXGICDSMAMGR-LJQANCHMSA-N 439.520 1.944 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1128902951 YXMZUCBPFCKRHX-LZQZEXGQSA-N 435.546 1.530 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1136575044 KEQOSHKTOSYAEC-NQNKBUKLSA-N 440.466 1.664 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1142749417 YCCAFDREAQSBPA-QGZVFWFLSA-N 437.541 1.606 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1143720030 LNPVKAJQHNRRDN-DNVCBOLYSA-N 444.561 1.313 30 10 IDEE C=CC[S@@](=O)(=NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccccc1 1158670656 WKYQAJDOZFOFID-HKBQPEDESA-N 441.513 1.961 30 10 IDEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@@H]2CCCN(O)C2=O)C[C@@H](C)O1 1159642156 UDWAFTUZLZQGCJ-JKIFEVAISA-N 445.545 1.832 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCCN(CCF)C3)nnc12 1183850196 SIECIGHFFNINTC-OAHLLOKOSA-N 444.536 1.872 30 10 IDEE N#Cc1sccc1N1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 1192491699 BKRAVLJJNTXJJP-UHFFFAOYSA-N 446.554 1.788 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)CC1 1198314740 QERTYNZVCYEYMB-UHFFFAOYSA-N 429.502 1.799 30 10 IDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC1 1214155825 ZVBGOKVXFUQEEB-UHFFFAOYSA-N 448.545 1.174 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1214257667 JBSRRSJVEXQYIK-KRWDZBQOSA-N 437.518 1.266 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 1224573483 IMXAQJKTVIZCAJ-INIZCTEOSA-N 448.574 1.888 30 10 IDEE CS(=O)(=O)C1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1227632038 KQVGXEXLRUAXAM-NKELODKYSA-N 432.546 1.562 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C12CCC2 1253060993 AVGJAYWMSKQLBX-YZVOILCLSA-N 438.550 1.498 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)n1 1254361777 BOSPRMTZGTUVBK-QHCPKHFHSA-N 439.560 1.884 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1286349314 HQVRUVVPMQIGQY-LJQANCHMSA-N 442.545 1.532 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1286376052 DPZNMEKIIVWKOM-ZDUSSCGKSA-N 429.955 1.444 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1286381763 GQDRGQFQJSGOBW-LJQANCHMSA-N 436.497 1.788 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(N)=O)c1 1286460536 FGFBXWUVWKMDBE-UHFFFAOYSA-N 433.472 1.159 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286462895 ZSUHELNOSDQFQL-UHFFFAOYSA-N 427.509 1.688 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1286467241 ODQYFQRALJSQEL-GOSISDBHSA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)COC)CC1 1286482104 ZYBFSRUHXXBSJJ-SFHVURJKSA-N 437.610 1.388 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286485191 FGLDOULAXMHRNE-NHCUHLMSSA-N 429.613 1.158 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1286485549 PRSTVVLTKJWBTE-BURNTYAHSA-N 429.565 1.739 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286495220 SWICLJJNYATULR-UHFFFAOYSA-N 430.578 1.329 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1286805108 QTRNGDXIRIGLCA-JXFKEZNVSA-N 440.566 1.289 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C2CC2)CCO1 1286941086 HSDFNVJMPFQOON-IERDGZPVSA-N 437.548 1.641 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3NC(=O)CO4)CC2)cc1 1288199170 VIPHTYQGCVMUEG-UHFFFAOYSA-N 440.481 1.929 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](OCC3CC3)C2)n1Cc1ccc(C#N)o1 1288843982 LJVVTAHLXCIUKK-WMLDXEAASA-N 448.549 1.797 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CCO2)cc1 1289349745 QZZCIGXRSOFZQM-NRFANRHFSA-N 430.464 1.530 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)cc(OC)c1OC 1292362984 YZWVZMMBUJFEII-RHSMWYFYSA-N 425.507 1.500 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)CC)cc1OC 1294939868 FRAFGCXBTGEXAD-KRWDZBQOSA-N 442.520 1.950 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(CCO)CCOCC(F)(F)F)C2=O)cc1 1295241557 YDROWRHRNKIUJT-HNNXBMFYSA-N 442.394 1.163 30 10 IDEE CN(C)c1ncc(Br)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1296166512 HEYJONSBZWWBPV-ZYHUDNBSSA-N 439.314 1.794 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)CCOC1 1296615255 UQWXRWDCTXXQHG-OAQYLSRUSA-N 428.493 1.236 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1297836769 RSENDLRMOBKTNV-CABCVRRESA-N 445.463 1.634 30 10 IDEE C#C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 1298540009 WIPAUBMCFLVWFQ-FUHWJXTLSA-N 434.334 1.420 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)c1 1299950929 FSELUJGFADYOSF-UZLBHIALSA-N 442.520 1.412 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300498785 NAFLTDGUEDFTEN-MRXNPFEDSA-N 433.534 1.126 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CC1 1300701058 DWGJZKHFWOIBPT-UHFFFAOYSA-N 438.429 1.442 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1301258956 BGVQOMQKYHSPLV-UHFFFAOYSA-N 425.537 1.851 30 10 IDEE COCCN(CCC#N)c1nnc(C2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301806888 WZZVFXSTAFYLKV-ZWKOTPCHSA-N 436.582 1.726 30 10 IDEE CS(=O)(=O)CC1(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)COC1 1304252763 PLDZCCGSWYERGM-YUMQZZPRSA-N 445.328 1.677 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CO1 1304382511 RHGDXECCUITDKY-CYBMUJFWSA-N 438.506 1.172 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1306255901 SIIYQYRCXOLEPO-RMYFCYLKSA-N 429.525 1.108 30 10 IDEE O=C(NCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1n[nH]c2ccccc12 1306892453 GHUWNMBSPPRQQY-UHFFFAOYSA-N 435.440 1.587 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1315121478 RMLYJDKPRAGKQS-QGZVFWFLSA-N 437.504 1.620 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1316529836 HOKDFTBOBMDGTF-SJORKVTESA-N 442.545 1.343 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1358891780 MJLSAFCUJKZRKO-BODSMFSISA-N 439.582 1.813 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1358906463 IMJAGPSQTUKGGS-MRXNPFEDSA-N 429.546 1.819 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC(OCC)C1 1358949731 LHSSDKKUQRMKJO-JQHMZKTJSA-N 449.552 1.586 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359054924 MXWIPVMVPRHHRN-UHFFFAOYSA-N 439.589 1.416 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359089937 RZDIWXLTXSFNGL-BMFAXAFESA-N 430.553 1.455 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1359121607 YSUWFDLZKRCVIF-UYAOXDASSA-N 440.548 1.367 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1359277175 DSNAGNNEUZNJSP-FUHWJXTLSA-N 436.534 1.424 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1450276250 ZKDNKWUQUFOFIX-MRXNPFEDSA-N 447.469 1.004 30 10 IDEE COc1ccc(Br)cc1Cc1nnnn1CC(=O)N(CCC#N)CCC#N 1458966059 BCFBDUSXCKWJHX-UHFFFAOYSA-N 432.282 1.691 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN(c3ccc(C#N)cc3F)CC2)CCC1 1459436578 PRNMEGHHLFQBJL-IBGZPJMESA-N 438.569 1.821 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(C)c(SCC(N)=O)s2)s1 1464054600 KDSJLBQLFHREAS-UHFFFAOYSA-N 446.601 1.736 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 1503817039 AGPAWNGQJXWQEE-UHFFFAOYSA-N 448.531 1.982 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@@H]1C 1504909758 AKEPKJRXOVFOSC-SFHVURJKSA-N 449.563 1.735 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507566728 LTANDBHQAMRLTI-UHFFFAOYSA-N 444.543 1.888 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1507643053 QACUTHJYQPQJPH-GOSISDBHSA-N 440.573 1.019 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1507653900 SQIDMCFVYHPKSV-NRFANRHFSA-N 433.560 1.462 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1507668900 FHBCELVQFCQITD-SFTDATJTSA-N 440.569 1.901 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CC=CCO2)n1 1507715695 BJEMCHKJGDGTTN-VQTJNVASSA-N 426.521 1.957 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1507752643 AMWWTXPHMPXPKE-KRWDZBQOSA-N 435.500 1.465 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CC(N)=O 1508134902 IHCKLUHLLRYRQM-CYBMUJFWSA-N 425.942 1.899 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H]1CC 1508145281 LFHBHFIKIUNFIY-OAGGEKHMSA-N 430.596 1.406 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1508785576 XPPAUXDKJDBDSC-GOSISDBHSA-N 444.561 1.602 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1N1CCOCC1 1509636610 AQNBIMJUKYSPGT-QFIPXVFZSA-N 441.511 1.743 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cccnn3)CC2)n1Cc1ccc(C#N)o1 1513398304 UWKMMZHHFITNEU-UHFFFAOYSA-N 449.519 1.826 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1517024985 YMAXEZWHINKHEF-QZTJIDSGSA-N 426.477 1.509 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nccn1C(F)F 1517581285 GNVZZWWTGNQQHC-UHFFFAOYSA-N 444.446 1.941 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)OC(C)(C)C 1519451376 WYJMONVDKZWJCC-JYJNAYRXSA-N 436.513 1.256 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539045316 BUCDWYFBFMMIJT-OALUTQOASA-N 444.580 1.685 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539231365 RPNVIDARWBGINI-GUDVDZBRSA-N 435.594 1.631 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1539291473 QRMAXIISRHZNPS-FQEVSTJZSA-N 427.597 1.153 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1539415496 DWARKXZXQIQIKE-WIYYLYMNSA-N 435.594 1.076 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)c2ccc(F)cc2)CC1 1539428796 WTEQTOISRFCHKK-IBGZPJMESA-N 428.512 1.698 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCO[C@H]2CCOC2)CC1 1539434204 CNIYBAGGVXXPNI-NRFANRHFSA-N 425.533 1.905 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CC)CC1 1539467160 NZKDRXRTSKFDEF-UHFFFAOYSA-N 436.560 1.993 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1539631512 LQBOUXXLKONKFJ-AOIWGVFYSA-N 446.577 1.630 30 10 IDEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1539945780 UABQCKBWPHUZCW-UHFFFAOYSA-N 434.566 1.857 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1540863933 KBLYKGVYNAETND-CYBMUJFWSA-N 447.337 1.677 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCS(=O)(=O)C1 1541455485 YVKPQWKBSPNUPX-CQSZACIVSA-N 430.534 1.446 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1541723904 KGCJFXUFPSRAJY-VXKWHMMOSA-N 432.569 1.515 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H](C)O1 1555385309 FCJVZIOGFCNWNM-CHOVKTHHSA-N 427.505 1.597 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)c1 1561921012 SKFZLKFUUFXKFN-MRXNPFEDSA-N 431.518 1.354 30 10 IDEE C#CC[C@@]1(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1566977802 WFFNQDMHGBRAPT-AOMKIAJQSA-N 437.537 1.600 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1587861330 JZTANXMDPWNLPX-ZWKOTPCHSA-N 447.565 1.099 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1587975378 ZCWWFGBBFUMAHZ-MWTRTKDXSA-N 436.516 1.674 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1588049214 CCWMLFFCGFNLTB-HNNXBMFYSA-N 428.543 1.780 30 10 IDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1588050800 VCHUXPMDQZJAPV-HNNXBMFYSA-N 440.529 1.189 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2ncn(C)n2)CC1 1588877326 ZTOVGVKSFYAKCY-UHFFFAOYSA-N 438.561 1.511 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1593683271 KBMHGMVQPLYPJR-PGRDOPGGSA-N 434.585 1.543 30 10 IDEE C=C(Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1593783012 YWXMZMKPCNCNSG-UHFFFAOYSA-N 449.559 1.871 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595812187 PABLNUUFONXGKK-RBUKOAKNSA-N 447.561 1.249 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1595934067 SSPTZXNIQSUPLJ-HSZRJFAPSA-N 435.532 1.742 30 10 IDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1611878403 CKVQTRANJHURMU-UHFFFAOYSA-N 438.517 1.320 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613098551 DQMQOENSBLMPSW-RCDICMHDSA-N 441.536 1.748 30 10 IDEE N#C[C@]12CN(C(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)C[C@H]1CS(=O)(=O)C2 1618171645 GFNREJJEASWOOF-DYZYQPBXSA-N 441.847 1.869 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1634259782 GUCFYPACRLXYKN-SFHVURJKSA-N 448.545 1.605 30 10 IDEE Cn1c(C#N)ccc1C(=O)NC[C@H](O)COc1ccc(I)cc1 1635847535 RMKDTFBDZKXELP-ZDUSSCGKSA-N 425.226 1.671 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O 1637160139 RSCISAZRUBCHRM-UHFFFAOYSA-N 427.482 1.479 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCN(c2ccccc2C#N)CC1 1638311588 RUGCJUTYAYTVQI-UHFFFAOYSA-N 448.527 1.165 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CC2)CCOC1 1640828513 UHDWKZFIAAFSGJ-XMMPIXPASA-N 449.511 1.655 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1645034500 WZSQGYUKYBMGFG-HNNXBMFYSA-N 449.554 1.378 30 10 IDEE CN1C(=O)[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)Cc2ccccc21 1645245436 BDATYOZCXKEXIR-MRXNPFEDSA-N 426.498 1.209 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1 1645631234 APEXJGNEPUCCRA-AZUAARDMSA-N 447.463 1.578 30 10 IDEE N#Cc1cn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1I 1652060456 CLUNSDYWMFADLF-UHFFFAOYSA-N 439.232 1.847 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCc4cc(C(=O)OC)ccc4NC3=O)cc2C1=O 1652783583 HNLCPKVJGHNSKE-LJQANCHMSA-N 447.447 1.939 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@H]1CCS(=O)(=O)C1 1683312023 GNLGNHDUTIGSLG-DZGCQCFKSA-N 427.885 1.416 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCC1 1683688297 AGAZIWYOLZDWSB-VQTJNVASSA-N 449.577 1.596 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1689851834 WDZXEDUEQXYGCB-HOTGVXAUSA-N 439.582 1.895 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1689929672 BOWOWFBVHCIUBO-IRXDYDNUSA-N 448.618 1.933 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2cnn(CCOC)c2)CC1 1690131113 UHCYZRFCBHPDMJ-UHFFFAOYSA-N 433.560 1.710 30 10 IDEE C#CCSCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1690186005 JRVXWIGPJIRMBY-UWJYYQICSA-N 433.578 1.498 30 10 IDEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690271509 RQRRASOBBACFRW-HXUWFJFHSA-N 438.525 1.948 30 10 IDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1690309940 OAILOBUWIRKHSA-UHFFFAOYSA-N 437.504 1.204 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690670577 FKJAQCQYIBIVPC-GOSISDBHSA-N 429.525 1.441 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)S[C@H](C)C1 1690714824 VZHVEKKRLIDKND-HUUCEWRRSA-N 427.596 1.445 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1696621592 UTAISTKCFKAHJU-OAQYLSRUSA-N 427.484 1.749 30 10 IDEE CN1C[C@](C)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1696874033 BHLFNLWXTOBGGT-LAUBAEHRSA-N 442.545 1.167 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1697190426 SDTABIOWZYLELQ-GJZGRUSLSA-N 427.452 1.342 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccccn1 1698170284 SQHZOJSTGJIJDT-XLIONFOSSA-N 425.537 1.816 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(=O)OC)c1 1698170290 KLSITOAEXSAMMS-MAUKXSAKSA-N 444.492 1.957 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)NC(C)C)c1 1705507239 WALIPIYGZNOZGG-UHFFFAOYSA-N 445.527 1.845 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)(F)F 1705579837 VACYXKQBLPPJBK-UHFFFAOYSA-N 441.417 1.882 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705597244 ZIKLDDQAJFFTOI-SJORKVTESA-N 428.537 1.995 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccn(Cc3ccccc3)n2)CC1 1705632033 GEIHNCOJXZITCB-UHFFFAOYSA-N 446.559 1.465 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCNC(=O)c2cc[nH]n2)CC1 1705634961 NQNXNXISHHUZSA-HXUWFJFHSA-N 446.559 1.728 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1705661806 JKOSEILIDDOQAM-SFHVURJKSA-N 449.602 1.614 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1705693122 BTDYUVRPVUUILZ-AQNXPRMDSA-N 446.596 1.556 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705902478 FTAKHOBIFMEHGE-KSFYIVLOSA-N 429.496 1.711 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1705933956 XATPFIUOBKACSI-MRXNPFEDSA-N 447.517 1.292 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1705937925 ISRWXJZLPDTSDD-SFHVURJKSA-N 442.501 1.058 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1706670814 MLQPXYWOOSDFGV-NHCUHLMSSA-N 428.493 1.533 30 10 IDEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1709750426 CLXMODBJWMWTOD-INIZCTEOSA-N 432.525 1.928 30 10 IDEE CCOCc1nnc(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710757741 JTKNRZSWORSFRB-CYWPLGTBSA-N 430.509 1.202 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1710866090 DSFGTYRBRXXKQP-HXUWFJFHSA-N 430.534 1.166 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1712688808 DMBQFHGTVUCQBM-GOSISDBHSA-N 442.545 1.356 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1712705527 VDIWSKDFIZYGPS-UHFFFAOYSA-N 428.518 1.245 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722324094 KLORCPYBJPWIHJ-OAQYLSRUSA-N 428.924 1.977 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C)COC2)CC1 1722441163 MNNZDLOEBRBUOI-UHFFFAOYSA-N 430.553 1.199 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(F)c2)CC1 1722448413 UDJAQAUCXLMNMO-SFHVURJKSA-N 442.470 1.522 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1722517678 MOEPCPJQQKNLPG-IRXDYDNUSA-N 425.555 1.706 30 10 IDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1722630150 WOTAQGVKEOIZCE-GOSISDBHSA-N 434.518 1.618 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1722644772 NOWSLSBGHSPVNR-GASCZTMLSA-N 444.540 1.824 30 10 IDEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1723050933 YXJWFPXROVINJT-MAUKXSAKSA-N 426.518 1.409 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCn1cc(CO)nn1 1727602044 COTJNYWNKMORNY-UHFFFAOYSA-N 439.499 1.352 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1729522265 MQQIHGRRSPVBDA-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1729739760 RMERLFMPRZEAGH-MSOLQXFVSA-N 430.534 1.371 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1729907534 HDUFYLCXYRTUMQ-UONOGXRCSA-N 426.468 1.656 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1740533623 SHLSSYRFBXSRAI-HOTGVXAUSA-N 432.550 1.005 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCn1cc(Br)cn1 1740558675 UYOFSYZISZPOAC-CQSZACIVSA-N 434.342 1.908 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCN(CC)C1 1740610860 NJGAZGJGOWIGAH-ROUUACIJSA-N 432.569 1.998 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1740692665 NVSUKEFZZWPXRH-GOTSBHOMSA-N 431.581 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1740702280 ZFZMNKHCZHTAQH-LJQANCHMSA-N 431.500 1.061 30 10 IDEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1740886729 QNUKTIPRNQHENA-HXUWFJFHSA-N 427.549 1.991 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1740932687 UBMODELWJFPLJJ-OALUTQOASA-N 437.610 1.715 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740964852 WFOZUQKGPFOUTQ-UHFFFAOYSA-N 444.511 1.147 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCCC2)CCOC1 1746732638 ARJMBJJHGJHLLA-GCJKJVERSA-N 446.552 1.452 30 10 IDEE CCS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1747421849 SERLWUVQXYDWBR-ROUUACIJSA-N 429.518 1.195 30 10 IDEE CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1747547516 DLBKBHUELSHILG-MOPGFXCFSA-N 446.515 1.957 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1748812742 ZQZCREATPSJYOG-DOTOQJQBSA-N 434.591 1.449 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1748983799 DPTWYCYCNVOPLR-UHFFFAOYSA-N 447.518 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2CCN(CCN(C)C)CC2)CC1 1749009579 KOSBGDRFBZJLIW-UHFFFAOYSA-N 441.624 1.395 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cnn(C)c2C)CC1 1749016731 MFDJNBTUSGUFIE-UHFFFAOYSA-N 432.532 1.320 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749651190 PHKWHHRWZGTCED-HUUCEWRRSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2csc(C)n2)CC1 1749670494 SBDQRQNRPPAOLK-GOSISDBHSA-N 445.593 1.909 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1750008054 NFOGEJONIQIEFX-YOEHRIQHSA-N 429.481 1.133 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@@H]21 1750178496 UXRJSCQEMIVWPV-NZSAHSFTSA-N 445.545 1.635 30 10 IDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1751812291 HVNRDGDHCGFQMV-UHFFFAOYSA-N 425.518 1.503 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CCO1 1752389822 ZOANAUGGKVMHDG-INIZCTEOSA-N 436.472 1.863 30 10 IDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1760140368 LHMSLGJLNWGGBZ-UHFFFAOYSA-N 431.562 1.763 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1760175816 SBGIHXAJTUZUCP-GOSISDBHSA-N 447.561 1.376 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760201433 AUXORNSRJOXYAT-CQSZACIVSA-N 436.463 1.462 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1760283161 CYMCKNNUKDAGOM-UHFFFAOYSA-N 434.591 1.471 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760352556 RQEDOYIOILPACJ-UHFFFAOYSA-N 435.573 1.639 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760428577 YZJGAYJSYIVLPH-WBVHZDCISA-N 436.582 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1760551600 LSFATUWKLNTTRI-INIZCTEOSA-N 437.953 1.914 30 10 IDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1764304949 KBFBFCGYBNVROU-WOJBJXKFSA-N 440.548 1.909 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)C1 1767256819 YTIUKWRDOVCHQR-QGZVFWFLSA-N 441.517 1.680 30 10 IDEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc(OC)c1OC 1768303780 AFVFNHOJQKKELJ-QKKBWIMNSA-N 444.467 1.745 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1769127896 JBGKQPCVVOWIDD-ZDWFVDTJSA-N 438.532 1.973 30 10 IDEE COCc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc(OC)cc1 1850575469 DFBZZCBQBSPLBF-UHFFFAOYSA-N 433.472 1.651 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)cc1Cl 1855224437 KOAJSEFZWOXDQG-ZDUSSCGKSA-N 432.889 1.977 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1(C)C 1856395213 MFAOKONIAMQHSL-OAHLLOKOSA-N 425.576 1.784 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)CC1=O 1856905347 VWJMMVRDNDUEFF-UONOGXRCSA-N 428.894 1.531 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nc(C)n4c3CCCC4)CC2)CC1 1889281329 BMWXMTZICVYSAM-UHFFFAOYSA-N 427.593 1.790 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2081007890 CPFRIXZBHXRAFQ-HRCADAONSA-N 438.330 1.118 30 10 IDEE Cc1cc(C#CCCO)sc1CN(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2156994704 JSYLISIDWSKHIH-UHFFFAOYSA-N 446.550 1.848 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCO)cn1 2158592144 MLSZWPJTRJLUJP-UHFFFAOYSA-N 427.482 1.490 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2247822654 HKONUIOVNXZBHO-LBPRGKRZSA-N 441.359 1.366 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247881039 QDXMLDSSNXFRGC-CABCVRRESA-N 438.355 1.930 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCOCc2ccccc2)n1 2247901147 GCHKSXYSWCZZPO-UHFFFAOYSA-N 435.355 1.605 30 10 IDEE C[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248404015 JPEKZIOBVMEOKP-WCQYABFASA-N 441.359 1.505 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2255875720 CMYFIUZPRGHYNL-MRXNPFEDSA-N 425.342 1.461 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256622237 FBVXFADIVURRBN-KBPBESRZSA-N 433.314 1.690 30 10 IDEE Cn1ncc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267013964 RLSKWERYUGJPEK-GJZGRUSLSA-N 446.357 1.943 30 10 IDEE COc1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2267138511 YICMVMCUDNBUJZ-UHFFFAOYSA-N 442.243 1.745 30 10 IDEE Cn1cc(C(=O)NCCc2cnn(Cc3ccccc3)c2)nc1B1OC(C)(C)C(C)(C)O1 2267171250 HOGHFJZJYSMDSJ-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)n1 2267504592 VBIPILLSYZYHHI-JKSUJKDBSA-N 447.341 1.711 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267586922 QNUAHKURNJEUMB-CYBMUJFWSA-N 441.259 1.912 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267589993 IQPREOLYRFECQE-DOTOQJQBSA-N 447.341 1.338 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCOCCOCc1ccccc1 2267603649 GOBJBZOARLXDJD-UHFFFAOYSA-N 444.341 1.468 30 10 IDEE C[C@@H]1[C@@H](C)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267605315 LXPDSZBETXULRL-ZIAGYGMSSA-N 449.361 1.584 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 2322294901 RPDMERAJNYSNIQ-CQSZACIVSA-N 437.321 1.990 30 10 IDEE C=C[C@]1(CO)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364187049 UIBWUTIJBXXYDL-NRFANRHFSA-N 436.530 1.422 30 10 IDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2365210070 XZKBXOVCRLHRTR-KNQAVFIVSA-N 436.574 1.955 30 10 IDEE CN1C(=O)[C@](NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 78397330 DEVZKUSKGSEZKS-KRWDZBQOSA-N 431.436 1.963 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 109934493 KQLHPYODPCKRFM-KSZLIROESA-N 440.525 1.964 30 10 IDEE CN1CCC(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)(N2CCCCC2)CC1 303971498 SRNDZXAACGACMQ-UHFFFAOYSA-N 432.590 1.540 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@H]1CCCO1 440378600 LDWAZGHLQIXTTL-GOSISDBHSA-N 441.553 1.264 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)n1 467055617 BBSFUPBQWVQQSO-UHFFFAOYSA-N 439.497 1.091 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)C1=O 483847655 JRNPSAZXYRAPQN-UHFFFAOYSA-N 449.305 1.070 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 504092776 OIZBREKZIKRHOI-QHCPKHFHSA-N 444.532 1.949 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 508834390 UIECMNLXCUMVOX-UYAOXDASSA-N 441.532 1.977 30 10 IDEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508862081 FRHWZMFHOXHVNM-QGZVFWFLSA-N 438.532 1.488 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 539966779 BCZVQBVUVHHWJZ-OAHLLOKOSA-N 426.427 1.869 30 10 IDEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 549360302 AUNHIIIYSIAGCS-IBGZPJMESA-N 426.521 1.676 30 10 IDEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 549360311 AUNHIIIYSIAGCS-LJQANCHMSA-N 426.521 1.676 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)CC1 605410056 BBAJSJHIDXSQSJ-UHFFFAOYSA-N 441.454 1.739 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCSCc2nc(O)c3ccccc3n2)CC1 610059742 YBKIYPORDFITQR-UHFFFAOYSA-N 429.546 1.405 30 10 IDEE N#CCc1cccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 619474624 KBYMZMWJBJTERQ-UHFFFAOYSA-N 441.556 1.314 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c1F 669650721 XQDUKVZYMGGDQN-HNNXBMFYSA-N 430.501 1.965 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(Cl)c1OC 730439809 BJUHNYYHZJYQTK-CQSZACIVSA-N 431.901 1.786 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 732152623 FGFBYUABXCKUOH-AOMYARPXSA-N 429.452 1.712 30 10 IDEE C#CCCNC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 733247727 ONVOVSKVYDPNSC-SUMWQHHRSA-N 427.954 1.874 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCSC)c2=O)cn1 735069036 OFVQCJLCPOSLBH-UHFFFAOYSA-N 433.603 1.297 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(-c2ncccn2)c1 737979945 LDPCJYPTGPMKJZ-INIZCTEOSA-N 439.501 1.754 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 747741799 LSJAHNYJKFRMTH-QFIPXVFZSA-N 443.503 1.882 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 758050833 USOPBHWWSNDFJX-UHFFFAOYSA-N 438.505 1.441 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1 767672989 BEJPLXYPWSIZQN-ZIAGYGMSSA-N 433.461 1.785 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 779859670 XANCZCDGNZACQV-OAQYLSRUSA-N 438.525 1.444 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 780210610 RDYLFEYHTDVQOA-OAQYLSRUSA-N 427.432 1.427 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c(=O)n1C[C@@H]1CCCO1 780292678 BEZYQFGUARENFI-IBGZPJMESA-N 435.484 1.499 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC(=O)N2C(C)(C)C)cn1 796863729 REENQBMIEITHSO-FZKQIMNGSA-N 447.492 1.624 30 10 IDEE C[C@H](CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 798069114 JEMNKHZYMVOCEI-ZACQAIPSSA-N 446.573 1.801 30 10 IDEE CC(=O)c1ccc(Br)c(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798865579 ZTMNCJHBHUUMNM-MRVPVSSYSA-N 426.252 1.181 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N(CCOC)CCOC)CC2)c1 1140226086 AILZWFFXYUEITI-UHFFFAOYSA-N 436.574 1.683 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1147453160 XAPPWRJANYMLCY-UHFFFAOYSA-N 445.472 1.626 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1151861111 LTPFKVMPFBKAKY-ZWKOTPCHSA-N 435.569 1.729 30 10 IDEE CNC(=O)NC[C@H]1COCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1152781048 BQMGGXZHJZXDPH-HNNXBMFYSA-N 442.476 1.179 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1cc[nH]n1 1158552449 NFZVAUIVOUSEKD-UHFFFAOYSA-N 441.419 1.681 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CS(=O)(=O)Cc2ccccc21 1167622851 LVDQJPXRJDZDRS-KRWDZBQOSA-N 447.538 1.291 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1189977165 ITXWXTOTLYNHDK-UHFFFAOYSA-N 446.485 1.278 30 10 IDEE CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1248403785 KZKUZWBKWLWCCM-OXJNMPFZSA-N 438.550 1.523 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 1255069364 DAYZMHWXQZMPMA-RTBURBONSA-N 431.537 1.787 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1270234754 AODLOYIRDVZJPF-WOJBJXKFSA-N 427.501 1.401 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)c1cc[nH]n1 1286365525 CJYMLUHIQYKXTL-UHFFFAOYSA-N 428.294 1.930 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286392192 LCPIXBMBQDWMKH-RBUKOAKNSA-N 427.530 1.583 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286397191 RUUQVYHXAWXOTQ-OAHLLOKOSA-N 433.559 1.137 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CC(OCC)C1 1286446393 GCFPKHRYHDPAKW-UHFFFAOYSA-N 438.576 1.993 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1286581980 PHMAYMKVGWSNAY-KSZLIROESA-N 441.598 1.829 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1286984004 ZJJKKVRVGAEFRV-ZOCZFRKYSA-N 447.561 1.880 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300505753 IHINESIAVRFNMQ-HUUCEWRRSA-N 449.499 1.250 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCOC1 1300602236 BDXTXXGULIJOAU-FQEVSTJZSA-N 432.550 1.158 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300755069 ZZZJFIKSLUMLAW-KRWDZBQOSA-N 448.618 1.654 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1300766304 ZJLBXLURLRTFRP-UHFFFAOYSA-N 444.580 1.633 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1300767584 AAISRQCUIQTDJK-YLJYHZDGSA-N 443.621 1.663 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1301130403 ZNIZCNLCXZHDDB-LJQANCHMSA-N 447.609 1.824 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1301492194 ZZFZNTZCXAENCB-SFHVURJKSA-N 448.531 1.645 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 1301506013 FFRGWDGVTLAALD-UHFFFAOYSA-N 428.512 1.792 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncnn2-c2ccccc2)C1 1301535942 PWAATLBXNVWAKK-GOSISDBHSA-N 436.520 1.827 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)[C@H](C)C1 1301724872 KFSWNSFLRIGLRB-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1301817645 GBBQRMCCYLRATC-INIZCTEOSA-N 431.447 1.303 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1302209116 QHCDSNVHXZDJQC-QUCCMNQESA-N 438.532 1.832 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C#N)c1 1303474421 OSGZCOZHXQFJAG-GOSISDBHSA-N 432.550 1.965 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 1304370020 IJJOFJCLJVTILT-IAOVAPTHSA-N 434.518 1.445 30 10 IDEE COc1ccc(Br)c(C(=O)NCCCNC(=O)NCC#CCN(C)C)c1 1312499626 PUKKZKKFHWHVKN-UHFFFAOYSA-N 425.327 1.442 30 10 IDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1312682288 DNKWIOXLWNHWRV-SFHVURJKSA-N 444.536 1.811 30 10 IDEE C#CCN(C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1313223449 PRBCQBDOMIWULZ-MRXNPFEDSA-N 427.567 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC[C@@](C)(C#N)C2)C1 1313273966 AJNBIADEOJYMRK-KXBFYZLASA-N 428.555 1.746 30 10 IDEE CN(C)C(=O)Nc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1314646322 AFLBGZCDOYXYFP-KRWDZBQOSA-N 433.476 1.606 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C[C@H]1OC 1316331906 WCRPOSWLJKGHQV-KDURUIRLSA-N 436.472 1.576 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1316538030 GLLCHVXBQBCTEW-ZACQAIPSSA-N 440.495 1.257 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358900790 RXCCRRWPXGQQND-XMTFNYHQSA-N 437.610 1.936 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1358935666 PTZGWWMVZSOYFM-UHFFFAOYSA-N 441.561 1.620 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1358937154 KJNHHMNVMFYGBQ-PMACEKPBSA-N 445.564 1.491 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@H](C)C2)CC1 1359040254 NOPUOHDZWHJQMQ-SFHVURJKSA-N 443.596 1.114 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1359041171 OPRUPOKHDHLBNV-GOSISDBHSA-N 437.552 1.053 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359097879 VCTUWTHPMZSDAC-SJLPKXTDSA-N 449.581 1.132 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1359098219 YSJXKLZZTDPLEK-CRAIPNDOSA-N 432.550 1.730 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)SC)CC1 1359179503 WXNLHLWGZFCJSS-GDBMZVCRSA-N 429.612 1.765 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359226951 QACXZHQHDKLIAW-DMPWYTOCSA-N 446.552 1.925 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1359396663 HPECDKWTAYGJDN-UHFFFAOYSA-N 434.504 1.684 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1360482539 GCVWDFMRDOELDR-SOUVJXGZSA-N 429.529 1.964 30 10 IDEE CN1CCC(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)CC1 1443740951 HZOMTQDTZNDGKL-IRXDYDNUSA-N 429.952 1.849 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCCOCC3)CC2)s1 1450971882 JNISFEMLXSFNPA-UHFFFAOYSA-N 427.592 1.468 30 10 IDEE COCCc1noc(CN(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1466076430 BRGTVVRRWPSZJF-UHFFFAOYSA-N 434.294 1.987 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCc2cc(F)c(C#N)c(F)c2)C1=O 1467382596 KESYGRBFFRYDRT-OAQYLSRUSA-N 428.395 1.928 30 10 IDEE COC(=O)CCSCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1467492051 FAOPBJLJWYESGK-HNNXBMFYSA-N 441.575 1.552 30 10 IDEE N#Cc1cn(CCNC(=O)c2n[nH]c(-c3ccccc3)c2Br)c(=O)nc1O 1470360081 BXDHUFHDPCIMHM-UHFFFAOYSA-N 429.234 1.403 30 10 IDEE CSc1ccc(CNC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1C#N 1471304857 FBDPPHALJMGAHO-UHFFFAOYSA-N 439.541 1.854 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCOc3ccccc32)cc1 1471842955 BEMFHLUUYOBGOM-UHFFFAOYSA-N 428.470 1.034 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c1 1472603213 YXGBECUHQHVILP-UHFFFAOYSA-N 429.314 1.502 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1492509108 HJDSURBSGMYTRH-FQEVSTJZSA-N 430.534 1.328 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1494682363 XSQGYXNHEBUGQZ-VAMXVVNJSA-N 432.550 1.639 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1503929234 COKNXLHUDPWZBA-KRWDZBQOSA-N 438.532 1.927 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1505136965 GTJQEENYWASCLT-DAYGRLMNSA-N 426.518 1.243 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCC(=O)N3)n1CCOCC(F)F)C2 1505316827 HDMXTIIWIFTHCL-AWEZNQCLSA-N 433.419 1.046 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1505320798 VMDFQCILXJBHGA-QGZVFWFLSA-N 429.550 1.817 30 10 IDEE N#C[C@H]1CN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CCO1 1505322798 BIRFQSBDHPTKCV-SFHVURJKSA-N 449.481 1.934 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1507623801 XHJRDNSUAHVTEK-SFHVURJKSA-N 439.545 1.657 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507639773 MBEPRZILUUUKKJ-WOJBJXKFSA-N 444.557 1.105 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1507744193 PDBWJFVKMDMTBP-UHFFFAOYSA-N 425.566 1.771 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnnn2C)CC1 1507896673 IYOBIAGURIGQPW-UHFFFAOYSA-N 427.534 1.928 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507965639 ULGCJZVDUOSKPS-KSZLIROESA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 1508085309 GULZMKAMVJOSEI-UHFFFAOYSA-N 430.940 1.929 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1508097619 RYJQHCUOLPDPJZ-SFHVURJKSA-N 447.561 1.653 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCOCC2)C1 1508113219 FXRGIEAAYQFJBK-XMSQKQJNSA-N 436.553 1.642 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C[C@@H]1C 1517709719 IJGLWXOMAVDXBS-KSFYIVLOSA-N 439.520 1.160 30 10 IDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1518895058 DVNRYLZJDQWIDY-XMSQKQJNSA-N 426.521 1.268 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(C#N)c3)CC2)cc1 1531315509 BOQVLVYYQIJZQD-UHFFFAOYSA-N 428.514 1.449 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1539200250 DGFDYAIJMPHVAW-LVWUPQHWSA-N 426.521 1.793 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539210214 BUHUFEYGEWNBQO-KRWDZBQOSA-N 427.534 1.001 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1539318097 LWGVBDCWULENRF-OAQYLSRUSA-N 430.556 1.791 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CC(=C)C 1540868840 TXLYWVCVDQVPLS-UHFFFAOYSA-N 431.566 1.943 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 1540871495 NAZGZALEFTUURC-KRWDZBQOSA-N 447.561 1.436 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1541053888 HXUPZVJSMFDLAW-BTCOZLQPSA-N 438.532 1.709 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)cs1 1542913722 IINWSIIWJQIVOV-MRXNPFEDSA-N 427.531 1.015 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 1544338249 AVQONISFLGVNDB-AWEZNQCLSA-N 433.870 1.406 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1547743991 FGBYUKNIYGENAE-UHFFFAOYSA-N 432.550 1.460 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1548314264 AORXIXDKBLTDTK-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1552880892 OQRTVWRUNZWJPZ-UHFFFAOYSA-N 437.504 1.858 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1565156307 HJEHMPZITZAQGJ-HNNXBMFYSA-N 444.351 1.503 30 10 IDEE CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1567401548 NSQROEUZBUCKBX-IBGZPJMESA-N 438.322 1.966 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(O)n1C1CC1 1570885644 MWZKEIYYYZNHHZ-CQSZACIVSA-N 432.506 1.232 30 10 IDEE N#Cc1c(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)[nH]c2ccccc12 1585253976 GTOVWUOCSDFQEN-INIZCTEOSA-N 430.530 1.391 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2cccc(F)c2)CC1 1587989971 RDABNHKSIUMXDN-SFHVURJKSA-N 447.536 1.551 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1588055274 URFNSNHDAYGEBL-MOPGFXCFSA-N 444.557 1.747 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@](=O)CC 1588079277 VATFKLKQVWZNAI-GDLZYMKVSA-N 431.949 1.703 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)CC 1588581012 CGADOLVJFZNPEG-UHFFFAOYSA-N 437.342 1.610 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCCC 1588581379 PCFIWNBNDSAUPX-UHFFFAOYSA-N 437.342 1.658 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588871380 BGOOVXKULQCESK-LJQANCHMSA-N 440.523 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2nccs2)CC1 1588885672 YGXPARIQMSOQPD-OAHLLOKOSA-N 443.577 1.642 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589404966 OOPRLUGPVVKMAK-OAHLLOKOSA-N 441.374 1.291 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1589496282 XEVIYBAWJFBIMT-XAJHFOFHSA-N 425.555 1.237 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccc(OC)n2)CC1 1593817657 ICRBZOYLVLJNAO-OAHLLOKOSA-N 437.932 1.880 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@@H]1C 1594896187 UOGFWKCFUQHDDV-FOIQADDNSA-N 435.550 1.358 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1595290761 KLWDFNQCWVLFPI-INIZCTEOSA-N 443.474 1.581 30 10 IDEE C=CCN(C)CCN(CC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1617604056 NNEKRAHXQASKPN-UHFFFAOYSA-N 426.521 1.895 30 10 IDEE CO[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619501419 NOSHPXQTPAHZPU-UNEBPCJRSA-N 437.504 1.406 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1619928320 FLLLJVFVYMIPEL-IERDGZPVSA-N 426.525 1.304 30 10 IDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1620133961 ALSRBJPGLRQRCF-GOSISDBHSA-N 445.545 1.779 30 10 IDEE CCCNC(=O)Cc1csc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1632613414 WYUNUKWAJDBLBX-UHFFFAOYSA-N 449.558 1.669 30 10 IDEE C#CC1(O)CN(C(=O)NCc2cccc(-n3cc(CNC(=O)OC(C)(C)C)nn3)c2)C1 1637346811 CVCQPBSVCHDPAZ-UHFFFAOYSA-N 426.477 1.182 30 10 IDEE O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)[C@@H]2N1 1639054175 ABJVZWIHYIWHIB-SOLBZPMBSA-N 446.529 1.616 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)cc1 1643305943 NAABVUCNPSXWSY-UHFFFAOYSA-N 441.363 1.981 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1645443959 PCARCQZFJMSWOA-SFHVURJKSA-N 431.470 1.774 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](n2nncc2I)C1 1650912967 CECJIKGHDFCQQW-CHWSQXEVSA-N 431.278 1.517 30 10 IDEE C[C@H]1CN(CCO)[C@H](C)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1659063988 HQBVBFSRKYWLNF-QYZOEREBSA-N 443.592 1.743 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCn2cc(Br)ccc2=O)c1 1664154873 AETQTJNZJIBPHK-UHFFFAOYSA-N 440.319 1.505 30 10 IDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1664764778 LZDZIUVXHKFEOH-LLVKDONJSA-N 430.324 1.346 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N(C[C@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)C1 1676031223 VQLNLZWTGXQQKP-RTWAWAEBSA-N 430.549 1.902 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)C1 1685180816 QUFOGYAMTXKISP-QZTJIDSGSA-N 432.565 1.448 30 10 IDEE C#Cc1cccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 1686715974 KMSREGWIUJQCFR-UHFFFAOYSA-N 427.482 1.311 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689981765 AVICNNKMFZYRHV-BMQTXXJKSA-N 436.578 1.774 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689989250 CJQGDVUZDVWFPO-KPOHSRMJSA-N 440.591 1.058 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SC)c2)CC1 1690109120 HKOJGYNMKLDUFN-UHFFFAOYSA-N 425.562 1.435 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690124256 IDGDVQRGJOKOAH-ACRUOGEOSA-N 430.597 1.774 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690246174 RVGSSZJMUKNGNF-MLHJIOFPSA-N 439.582 1.233 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1690246535 VJTKQXHWTKUERD-NSHGMRRFSA-N 433.553 1.796 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCSCC1 1690668585 AVJBABZEGQKPTR-UHFFFAOYSA-N 425.518 1.047 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690674331 XGCGWTAEKGJSAF-HNNXBMFYSA-N 431.566 1.431 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)C1 1690699787 JAVVOVOEOWPNHH-IAGOWNOFSA-N 434.566 1.360 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690747220 WKJMEHKDKSVENN-LSDHHAIUSA-N 443.595 1.376 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1Cc1ccc(C#N)o1 1692799196 GFOQVQKHWJOBSB-GJZGRUSLSA-N 433.538 1.076 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1)OC 1697756818 HFJVRMAHOZKVPV-LJQANCHMSA-N 439.520 1.472 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1698495028 CLVPICOOQMFWOI-MRXNPFEDSA-N 446.533 1.333 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1705494620 CLILVLRMXDFZQH-AEFFLSMTSA-N 429.546 1.345 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1705564167 MEHSDNGXPTWHGC-CQSZACIVSA-N 427.477 1.540 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cccs2)CC1 1705631997 UPHDWIHUVMSGIP-NRFANRHFSA-N 428.562 1.239 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1705754574 BLENYFDFYKMKDC-HNNXBMFYSA-N 429.974 1.675 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)N(C)C)CC1 1705777121 XOLXGOGPWLMLDT-IBGZPJMESA-N 427.571 1.224 30 10 IDEE CCN1CCN(CCCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710300540 CTRXUDHKZFBCMY-QFIPXVFZSA-N 426.544 1.733 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1722320602 DFGJZPOACLTQCC-KRWDZBQOSA-N 428.562 1.594 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1722394474 UZJSHNYPVPAHRH-ZWKOTPCHSA-N 446.511 1.195 30 10 IDEE C#CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1722463581 GTWXNGDKNOMJBW-KGVIQGDOSA-N 447.605 1.933 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(N)=O)C1 1722492481 BHFAVNLAYBLRRW-SOLBZPMBSA-N 432.569 1.879 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722653623 BDWQCAOFZCIKPY-QFIPXVFZSA-N 446.573 1.981 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1722692574 RRFHERKRUOBJDE-QGZVFWFLSA-N 448.474 1.575 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1722786336 IBKDJLWHPIGHNY-AYAKEVCGSA-N 441.536 1.519 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1726672933 BOOGWQFRXSLJNM-ZJYNUGOYSA-N 439.520 1.814 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CCS(=O)(=O)CC1 1727606991 HHGZMJFFGPKTGJ-UHFFFAOYSA-N 429.550 1.259 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCC(F)F 1727659163 SXUZXDMKKGVLQY-MRXNPFEDSA-N 434.447 1.725 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)CCO1 1731190069 ORVUOILELRKPSC-AEFFLSMTSA-N 433.509 1.681 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1740554091 WBMDMYJXKCINSP-LPHOPBHVSA-N 449.552 1.841 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCN(C)C2)c1 1740561379 DITYBZHEKUACNM-XMMPIXPASA-N 447.543 1.406 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1740563876 XLERHCKUFOVQPU-BRWVUGGUSA-N 438.594 1.594 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740645615 JONKIXDVICXOSN-WOJBJXKFSA-N 449.559 1.888 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1740660363 OQEPCGWIABDVFI-AUUYWEPGSA-N 439.969 1.909 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1740668113 CWROSVZMYJRXTM-NRFANRHFSA-N 435.576 1.901 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2([S@@](C)=O)CC2)CC1 1740700396 RLTFIKVFVLCCHF-WJOKGBTCSA-N 443.573 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(N)=O)c2)CC1 1740703791 FCTFWBYNFRUPED-UHFFFAOYSA-N 443.511 1.453 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1740707596 IMORQAKVRKIRFT-CVDCTZTESA-N 445.564 1.509 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N2CCOCC2)CC1 1740819752 CKNUJMJXSKSQRE-UHFFFAOYSA-N 445.545 1.364 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1740964198 KOPWJCQPIAUFQV-UHFFFAOYSA-N 444.492 1.056 30 10 IDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1740965616 CTGYGALSVISELO-UHFFFAOYSA-N 426.521 1.373 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1745953298 FACPVDGMCLMOFM-GOSISDBHSA-N 439.545 1.920 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCS(=O)(=O)C1 1748773624 ABRMKDFMFAPFCZ-GFCCVEGCSA-N 426.340 1.550 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1748929251 HGYULNDJLMGQQX-KRWDZBQOSA-N 425.518 1.269 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CCC)C1 1748960248 FIPBXVGUGIQKMM-QGZVFWFLSA-N 428.537 1.824 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1748962206 CEHJTPGWTQXFIF-GOSISDBHSA-N 432.546 1.518 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCS(=O)(=O)c2ccccc2)CC1 1749014717 MJWIDGRMWURVQD-UHFFFAOYSA-N 429.546 1.280 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1749019973 HHXUTILOLIJVPN-UHFFFAOYSA-N 442.545 1.436 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1749403056 VXFQDGXJYIGUCR-QGZVFWFLSA-N 431.566 1.653 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749454173 CZJJJSKTQQYWCC-HZPDHXFCSA-N 433.509 1.839 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)COC(=O)N2 1749676268 KKRVPXOHNAUJDJ-UHFFFAOYSA-N 431.522 1.015 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)CC1=O 1749861369 VEPNLYNJWYOKHH-UYAOXDASSA-N 438.532 1.927 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1752389080 VCPNPMKVMWKNDL-HNNXBMFYSA-N 431.456 1.909 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760185993 ILVQXLVZAIJCPF-WVDZOPJMSA-N 440.635 1.795 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760193389 YPIOPFOAMQRVSY-GVDBMIGSSA-N 438.594 1.594 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CC1)N(C)C 1760197141 QYEVXYDYXSWDQL-FQEVSTJZSA-N 425.558 1.762 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCN(CC)C1 1760205786 JQAYNMMCEPILQA-HXUWFJFHSA-N 432.576 1.867 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1760207013 URYJJNPPBFBQID-UHFFFAOYSA-N 431.475 1.846 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(COC)c2)CC1 1760268585 LUYPGXWPEHDTOK-UHFFFAOYSA-N 447.543 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)nc2)CC1 1760269623 NFCIOFVSDOVQLV-KRWDZBQOSA-N 428.924 1.845 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1760314406 WFBSERHAVVWBSB-SJLPKXTDSA-N 438.523 1.882 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760333556 HFGQTUPFRDGMLS-XFKSJGNHSA-N 444.580 1.904 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1760348788 MILCNUXKPFGPDB-SFHVURJKSA-N 432.569 1.800 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760349194 CXDKONMBOKXFGB-JOCHJYFZSA-N 432.569 1.251 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760376678 ABRICEYCWBUUSB-UHFFFAOYSA-N 438.923 1.837 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760428537 YHIYKHYVVQVLOJ-OALUTQOASA-N 437.610 1.695 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1760446282 MUZIPCCWHCWWNV-QGZVFWFLSA-N 431.518 1.670 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1760527894 LOHMHVKTZMPQOF-UHFFFAOYSA-N 426.521 1.140 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760709181 SIBCCMGMVFLRHK-ZPHPHTNESA-N 441.536 1.377 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760851253 NRPRVPJBYFXAHM-DYTRJAOYSA-N 443.552 1.671 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCC(C)(C)C1 1761482286 HKHDQKVWFWHFOK-DNVCBOLYSA-N 441.577 1.452 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CC1 1771368121 BAVVPIDKQUWGEZ-GDLZYMKVSA-N 447.586 2.000 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nc(-c3ccccc3)ccc2C#N)CC1 1852832033 HRWNOZOQXSZSTD-HXUWFJFHSA-N 439.541 1.693 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)C1 1854461257 OYIZRUOHKOUBOC-UHFFFAOYSA-N 437.827 1.816 30 10 IDEE CCn1nc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)cc1C 1856306849 NHRBKXMRKOOCRE-MRXNPFEDSA-N 426.546 1.704 30 10 IDEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1 1858439842 DHMZRLOIQDIXBQ-SFHVURJKSA-N 441.513 1.582 30 10 IDEE CCCCCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)CN1C(=O)c2ccccc2C1=O 1861523007 MPVBFHRODVRHJE-VQIMIIECSA-N 429.517 1.721 30 10 IDEE O=C([C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(CO)CC1 1869930298 WWLWUIFLZXLUPO-IBGZPJMESA-N 445.516 1.706 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN(CCOC)CCOC 1870502582 LSPJAMYBGKXPQR-UHFFFAOYSA-N 436.534 1.603 30 10 IDEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c(OC)c1 1874341668 PIHKFBBRLCJKKD-FPQGOQEYSA-N 433.534 1.986 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(OC)ccc3OC)CC2)CC1 1890308266 NUTDFSFSQDEJRJ-UHFFFAOYSA-N 443.588 1.895 30 10 IDEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2CO)c(Br)c1=O 2172903827 KBVDKNLEVWZAAN-JSGCOSHPSA-N 441.326 1.669 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250001715 ARJRQUVRMNXTPC-AWEZNQCLSA-N 426.294 1.447 30 10 IDEE CON(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255541902 JRCYQPVZXFPFND-UHFFFAOYSA-N 436.318 1.342 30 10 IDEE CCC1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255606896 VJUPCRPNNCVUFM-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE Cc1cc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2255624273 XJGRHVGARRVRIU-UHFFFAOYSA-N 436.314 1.599 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255649293 IZVOZIFMGWHIBZ-NRFANRHFSA-N 436.314 1.992 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255694925 WASOUMGHBXNXGI-AWEZNQCLSA-N 430.314 1.681 30 10 IDEE Cn1cc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255820435 PYSBWEJJEJUAAD-CQSZACIVSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255852667 HFOYVUWDEARBAB-OAQYLSRUSA-N 435.330 1.416 30 10 IDEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C2COC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255941386 IIGUAMYRKHUNDX-UHFFFAOYSA-N 447.366 1.617 30 10 IDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256624221 LISVYDMXRLWXJU-AWEZNQCLSA-N 437.302 1.791 30 10 IDEE C[C@@H](C(=O)NCC=CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2256679450 LNHDNQFJGVSJFJ-HNNXBMFYSA-N 437.346 1.758 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2259345947 NKBXJCQWDPYKLK-ZFWWWQNUSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2267144851 BSMRAYRMEGNCRX-LSDHHAIUSA-N 448.329 1.169 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 2267597833 USOOACVSVDHOSQ-CYBMUJFWSA-N 443.275 1.855 30 10 IDEE C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267873455 YOYCYSYHIGZNMO-VXGBXAGGSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268637609 NLTWHVIHIZOXKO-MRXNPFEDSA-N 446.357 1.918 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](CO)C1 2268717754 VDLCQFUNUGGDGG-XLOAEROZSA-N 447.341 1.985 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2299051525 SQHFXXWSUPXMNR-RUXDESIVSA-N 446.375 1.665 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2330718662 GTMNIVKCHSQMJQ-UHFFFAOYSA-N 440.485 1.938 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2333603612 IQTHPOXHANWLLC-QRVBRYPASA-N 448.369 1.417 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc4c(c3)OCCO4)CC2)cc1 10763495 ZWQCCWCUEMOWKA-UHFFFAOYSA-N 441.509 1.795 30 10 IDEE C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14281257 BSVWAMYUKSPKRF-QRWLVFNGSA-N 427.482 1.620 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)n1 102744497 FSBGYPVRMFZPOY-GOBJLOIFSA-N 440.475 1.986 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccccc2F)C1 203567671 RIIZKBHUXGSCKQ-IVMMDQJWSA-N 439.447 1.912 30 10 IDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1 441898684 IAZATUQUXUBKAX-UHFFFAOYSA-N 430.505 1.857 30 10 IDEE CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NCC2CCC(C#N)CC2)CC1 443336345 XWNOBJGGQQJQBA-UHFFFAOYSA-N 425.533 1.735 30 10 IDEE COc1cccc(C[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)n2nnnc2C)c1 461299538 ZHZITIXDBHEDSI-LJQANCHMSA-N 429.444 1.865 30 10 IDEE CN(C)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 471511005 FCMANZPGVCKLTO-UHFFFAOYSA-N 434.543 1.319 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC(N4CCCCC4)C3)CC2)cc1 475299472 FFZFLWWRNKTJAN-UHFFFAOYSA-N 431.562 1.591 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)o1 478755021 QWZYKVOFPSHEKR-NVXWUHKLSA-N 428.510 1.489 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 481764787 HVSDOPICTHMAGE-PCCBWWKXSA-N 446.523 1.577 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(F)cc1 505693856 ILTINUAGQDRLDA-UHFFFAOYSA-N 425.489 1.109 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 507382746 RCNXPLWIZZINIG-FCCDEINASA-N 435.550 1.660 30 10 IDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508866559 LMUSPFPTVHLSKH-UHFFFAOYSA-N 428.537 1.749 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 511550704 ACPRRCGMAZSXCQ-FXAWDEMLSA-N 433.940 1.241 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccccc2)c1=O 530315505 KODMAAFAUUPSEQ-UHFFFAOYSA-N 447.564 1.861 30 10 IDEE CNC(=O)CCOC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 538351463 CJUWXRYHAIJNBP-OAQYLSRUSA-N 445.539 1.152 30 10 IDEE CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 539632740 TVVQOIGIGYUEGB-HZPDHXFCSA-N 430.534 1.757 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCO3)CC2)n1 549497802 TVZCNCCHHXEOAD-MSOLQXFVSA-N 425.493 1.138 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCCO3)CC2)c1C#N 568300970 QVOPTFNKKGRYHR-IBGZPJMESA-N 447.547 1.683 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1-c1ccccc1C#N 569545137 VDJLRNUGBONDFQ-UHFFFAOYSA-N 440.528 1.899 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 603798407 KXSQRQSEJHVKFX-OAHLLOKOSA-N 429.567 1.584 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@@H]1CCCO1 603798522 MHPBYCPQUQIMBP-SFHVURJKSA-N 446.532 1.419 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 726315785 ANEJFYSHCHRJMT-UHFFFAOYSA-N 436.375 1.813 30 10 IDEE C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)N(C)CCC#N 729286447 ROPWPYFSCGMGAA-OAHLLOKOSA-N 436.534 1.454 30 10 IDEE Cc1cccc(-n2c(=C(C#N)C(=O)N3CCSCC3)sc(=Cc3ccoc3)c2=O)c1 732663267 LYMMTZNENNHBBE-UHFFFAOYSA-N 437.546 1.879 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)c1ccc(C#N)nc1 734601612 INKMUDPTAJRWRJ-UHFFFAOYSA-N 428.470 1.340 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C 763438145 SZZKSDHTRAOZSB-INIZCTEOSA-N 436.537 1.200 30 10 IDEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)C2=O)C(C)(C)O1 764891042 PVVLLRVAHYJXSL-JOCHJYFZSA-N 442.520 1.771 30 10 IDEE CCCOc1c(Br)cc(Br)cc1C=NNC1=NC(=O)C(=O)N1 765594292 UWERRSCRKCKFOY-UHFFFAOYSA-N 432.072 1.936 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 780204387 HGNLELZFPVKDDL-QFBILLFUSA-N 448.522 1.412 30 10 IDEE Cc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)cc1 782628080 UUGCSYRGFVVCIG-UHFFFAOYSA-N 426.299 1.730 30 10 IDEE COC(=O)[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1c(F)cccc1Cl 785023147 ATWGRADTMQKVOS-MRXNPFEDSA-N 440.836 1.975 30 10 IDEE C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 803922865 DVGDYCFJSGRJNF-GFCCVEGCSA-N 431.445 1.947 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 805035551 KFAHEAOLIQBHKS-IBGZPJMESA-N 428.533 2.000 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)N(CCC#N)c1ccccc1 920256670 SWBSPWVWSKOSCH-UHFFFAOYSA-N 443.548 1.944 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1132452285 PZZRFFBRDGMZLL-UHFFFAOYSA-N 433.530 1.491 30 10 IDEE CNC(=O)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C 1143174985 ILRKLKBGWKSWIU-LJQANCHMSA-N 445.516 1.642 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(N3CCSCC3)c2)cc1 1149917313 VQAQWYSSLUQBQD-UHFFFAOYSA-N 430.555 1.476 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](CCC#N)c2ccccc2)c1 1151668597 GWFQSBRRMTVXOT-GOSISDBHSA-N 435.527 1.530 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1164659687 PUFLWFRNLHTFGS-QZTJIDSGSA-N 442.541 1.613 30 10 IDEE CC(C)[C@@H](NC[C@@H](O)COc1ccccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1194008098 HNCFQNVYJBGMJS-DYESRHJHSA-N 426.521 1.108 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC4(CCCC4)OC[C@H]3CN(C)C)CC2)o1 1196198569 OBGJGQPQYHEPHM-GOSISDBHSA-N 430.553 1.079 30 10 IDEE C#CCN(C(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2)[C@@H]1CCS(=O)(=O)C1 1219944634 KOXLXDMBFLKMFT-GOSISDBHSA-N 427.530 1.553 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1286324622 QGGIZOQDLAOMMC-JKSUJKDBSA-N 427.596 1.356 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286389469 KLUDECYMHNGHOO-WBVHZDCISA-N 432.550 1.423 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1286394481 OQLZABMRNOBPDJ-VAMGGRTRSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286397666 BPBCAVLCURYLJB-XXBNENTESA-N 427.549 1.998 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1286446078 DAWCZSOFOACUCA-QGZVFWFLSA-N 437.953 1.772 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1286462726 STACIZXRSQMFGD-UHFFFAOYSA-N 432.488 1.060 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 1286479670 NXEDJGGPCRKBCD-CMKODMSKSA-N 428.581 1.826 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)C2CC2)CC1 1286484602 SIYOIHKBIASWRD-HSZRJFAPSA-N 425.533 1.782 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1286548244 SBWWQPPIRXGPSU-PKOBYXMFSA-N 444.580 1.893 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1286605655 RKXZJLNWFGILCP-UHFFFAOYSA-N 435.550 1.628 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286789007 MPNWRESYAUWSPT-HDICACEKSA-N 427.553 1.112 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286790843 YATOSKXGLDUOMV-UHFFFAOYSA-N 448.556 1.826 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCCC2(C)C)C1 1286809875 LUUOGCMBAMXZAE-CBGDNZLLSA-N 438.594 1.903 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286951343 VKMAVFNANCMFSP-UTKZUKDTSA-N 437.548 1.500 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1288518122 IKCVNGNKOYERIU-AWEZNQCLSA-N 436.538 1.959 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)c1 1289512379 BIMYCSLXTJAXRH-QGZVFWFLSA-N 433.534 1.637 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cs1 1290421617 NRLNUYZYPFEZCF-INIZCTEOSA-N 432.531 1.770 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cncnc1-n1cccn1 1300057968 QPBYUMAXRLEMFQ-UHFFFAOYSA-N 439.501 1.900 30 10 IDEE COc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1300083294 IVUVSOCJSPBZON-AYAKEVCGSA-N 438.488 1.705 30 10 IDEE C#CCCCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300361973 KEFUWUYPIRQXJD-UHFFFAOYSA-N 432.550 1.989 30 10 IDEE COc1ccc(-c2cc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)on2)cc1 1300558376 DCMBJCXHCMFUPU-UHFFFAOYSA-N 426.454 1.705 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1300761676 DNFLCQWTJHYTLK-MRXNPFEDSA-N 427.596 1.358 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCC(=O)NC 1300885931 UCRYOXWEQLPHFB-BQFCYCMXSA-N 439.582 1.124 30 10 IDEE C=CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1301450297 UEGYALCKOMOWMK-GDBMZVCRSA-N 445.524 1.615 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1303635384 FEGXMCBKEPCEOJ-AWEZNQCLSA-N 432.554 1.455 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(Br)cc4nc(O)[nH]c34)C[C@H]1CS(=O)(=O)C2 1304002661 WJXQJVTVEYGEJQ-AYVTZFPOSA-N 425.264 1.041 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@]2(CCOC2)O1 1305153477 CQLRDBJFCGOGJE-QRWLVFNGSA-N 431.518 1.246 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C(=O)OC)c(C(=O)OC)c2)c1 1309081123 JKHPDQDCSVQWJF-UHFFFAOYSA-N 430.438 1.158 30 10 IDEE COC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1315115877 LQJXKJQVGIPNCW-AWEZNQCLSA-N 427.465 1.304 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1316159095 XACAIGBETMOPJM-QGZVFWFLSA-N 442.520 1.369 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)Cc1ccon1 1359007808 WRICYUFSKGIGAC-UHFFFAOYSA-N 429.506 1.216 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359126493 RGMIJCFNRJQIQZ-INIZCTEOSA-N 425.493 1.329 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCS(=O)(=O)CC1 1359296689 QSOWQJPWJFMBES-UHFFFAOYSA-N 426.502 1.030 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](COC(C)C)C1 1359331805 IKOAIMJVEJOWNI-ROUUACIJSA-N 442.582 1.403 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCCc1ccccc1 1360200638 GZGXSYJHZOBDRN-UHFFFAOYSA-N 437.548 1.905 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1436929024 BLGRXRLZHMAYAE-ODYMNIRHSA-N 436.306 1.923 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)cc1 1438913927 GTYQGZPXWRTITD-UHFFFAOYSA-N 428.514 1.388 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CO2)C1 1453256175 HSVPSNRTPFPOHZ-DLBZAZTESA-N 440.500 1.806 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc(COc3ccc(C=O)cc3)cc2C)CC1 1455116575 ZDDKZLKAKZZYQO-UHFFFAOYSA-N 445.497 1.205 30 10 IDEE N#C[C@]12CN(C[C@@H](O)COc3ccc(Cl)cc3Br)C[C@H]1CS(=O)(=O)C2 1460878087 FEOLRRWLQSLHQH-NORZTCDRSA-N 449.754 1.712 30 10 IDEE C[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCN1CCO 1467341179 WQKTXRQJKIMSHM-OXJNMPFZSA-N 428.533 1.918 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCCOC1 1471718309 TZHRSSYRSAUCCR-JOCHJYFZSA-N 429.521 1.923 30 10 IDEE CCN1CCN(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)CC1 1472064623 SIDXJBQVLCBUKE-FRIYVGAWSA-N 431.581 1.622 30 10 IDEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1493777276 BQISWPCXMITGMM-KKSFZXQISA-N 445.545 1.515 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC(C)(C)O1 1494235583 HZEKPPGSQBULSB-OAHLLOKOSA-N 432.550 1.760 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cccn2)CC1 1503373576 CPXFYOBFTCRZOG-UHFFFAOYSA-N 448.531 1.930 30 10 IDEE COCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1504919147 YNWFWHKZJXSQBE-YGCDDZCOSA-N 443.552 1.229 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnnn1CC1CC1 1507644288 FEEWVAGWWHQQSD-UHFFFAOYSA-N 432.488 1.480 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2cnn(C)c2C)n1 1507715749 CKXRYPLJZFSGAW-HXUWFJFHSA-N 438.536 1.703 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507796803 JYGDLCVLOLIMTA-AZUAARDMSA-N 446.596 1.631 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1507808294 YAWUETHKCSYXKD-UGKGYDQZSA-N 440.548 1.540 30 10 IDEE C=CCCOCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507966871 YOWFVWIFXGEYAE-FCHUYYIVSA-N 433.553 1.770 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508088287 GAVKPMPQXLMCCI-MOPGFXCFSA-N 443.552 1.193 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508135498 IVZPQAVQCSQJGP-RBUKOAKNSA-N 432.546 1.930 30 10 IDEE CC(C)C(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508827645 NGUKMZNPTMQVNY-GOSISDBHSA-N 427.578 1.879 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1N1CCOCC1 1509636609 AQNBIMJUKYSPGT-JOCHJYFZSA-N 441.511 1.743 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1517143723 CYKJUGWUWUGUOT-RPLLJCPNSA-N 428.286 1.787 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1518642513 BBYSSYSEBFLWLD-MDOVXXIYSA-N 448.524 1.763 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(-c3cccnc3)nn2)cc1 1525819370 NIIDFEYPNYQVDK-PTGBLXJZSA-N 425.474 1.727 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1539013796 JVRSXGAIQDRPBF-DOTOQJQBSA-N 430.530 1.652 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539154795 NQDBFEQYRPONDS-LAUBAEHRSA-N 430.530 1.756 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1539226075 UFPKAEMAWOYHFG-IBGZPJMESA-N 439.545 1.155 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1539239715 PQOJFACRJYBMNH-OAHLLOKOSA-N 431.518 1.027 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@@H]1C 1539242233 QHWFFITWGOSHLS-AUUYWEPGSA-N 432.322 1.659 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(=O)NCC(F)(F)F)CC1 1539467741 YGVXIWJEDCNIHN-CYBMUJFWSA-N 428.459 1.436 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2cnnn2C)CC1 1539470733 XOCWLEYPRLBVEN-UHFFFAOYSA-N 432.532 1.650 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1540201408 SPQLLEVWGFRKKC-IRXDYDNUSA-N 448.545 1.659 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)[C@H]1c1nccn1C 1540550525 SVFRKDFFZKLCDX-GIVPXCGWSA-N 436.516 1.118 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540874756 RECRXJFWSHPYPV-GJZGRUSLSA-N 432.550 1.433 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1540899627 VOHPKWGLWLVHER-UHFFFAOYSA-N 440.529 1.229 30 10 IDEE COCC(=O)N1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1543041754 MEHUSNZKEHEFKD-HXUWFJFHSA-N 442.516 1.710 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1CCOC1 1545921461 UXWAFURVUMAYLF-LPHOPBHVSA-N 429.569 1.800 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1547312911 FOCQENCDAFVYME-IBGZPJMESA-N 426.521 1.927 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1555691370 PXVPSUZGQRCMQT-REWPJTCUSA-N 440.548 1.515 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1555962517 FEHOFYHDBBIKHN-STGLLQLASA-N 425.493 1.803 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)C1 1556843525 NPFPDCPDRHQBFW-UHFFFAOYSA-N 430.310 1.863 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCS(=O)(=O)CC 1557027125 ADSKKHVXCXPGCB-OAHLLOKOSA-N 429.564 1.225 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CC(=O)c2ccccc2O1 1557972472 WFJQSOTWBRCTNL-CQSZACIVSA-N 427.482 1.656 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 1565574702 OOUCLMIDJQCFRU-OAHLLOKOSA-N 434.539 1.883 30 10 IDEE N#Cc1cn(CCC(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c(=O)nc1O 1568539022 JXLPDADLYGFORE-UHFFFAOYSA-N 447.451 1.056 30 10 IDEE CCOC(=O)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1585600064 LBUWTOJZTOGDHD-KBPBESRZSA-N 440.378 1.764 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCn2cnnn2)c1 1587697682 WUAYRFUJPKOULN-GOSISDBHSA-N 435.492 1.263 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1587847230 GGUKKXPNQCPTES-UHFFFAOYSA-N 448.549 1.279 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)CC1 1588199012 FGIFFSVJKJRASV-ZZXKWVIFSA-N 435.855 1.984 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@H]1C 1588459345 TTZMAMRWHXTXJO-GAJHUEQPSA-N 441.507 1.833 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cnnn2)CC1 1588763084 RHRJBMNMQSRFNW-UHFFFAOYSA-N 443.462 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1588924180 WOXLIUKATPIMTN-IRXDYDNUSA-N 439.564 1.848 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)CCCO2)CC1 1588968335 INEMADLCMZDALR-SFYKDHMMSA-N 445.564 1.537 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589305978 VEDUAYBVYSAMRW-UONOGXRCSA-N 430.347 1.968 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)s1 1598443467 SAOXPKACJANWID-ZDUSSCGKSA-N 431.605 1.571 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1611977396 RGYXKXXZNJNCIY-MSOLQXFVSA-N 442.495 1.778 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)C[C@H]1O 1618884864 RENGOZDSELBVME-WOJBJXKFSA-N 449.515 1.543 30 10 IDEE COC[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619583250 BZXWQTPMNUOZOE-SJLPKXTDSA-N 442.568 1.695 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1619834782 OJJDKXGPCXSJDS-UHFFFAOYSA-N 425.537 1.487 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1620070481 LHCHNOCYZBOWNF-QFIPXVFZSA-N 427.505 1.866 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1627800034 HCOGKBMUCPERKX-SJORKVTESA-N 442.582 1.103 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)cc1 1633244497 GEEUQKLYKNMDDD-UHFFFAOYSA-N 430.473 1.285 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)NCc3cc(F)c(C#N)c(F)c3)cnc21 1633679504 OZZQSPCJWSQHHS-UHFFFAOYSA-N 437.204 1.359 30 10 IDEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OCC 1635697616 DFNSOVYBNZJOIP-MRXNPFEDSA-N 426.539 1.143 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc1F 1636960907 VTSYILSHLPYJRR-CQSZACIVSA-N 445.513 1.248 30 10 IDEE COCCN(CC#N)C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1642102824 DEAKIPMGTUWAQQ-UHFFFAOYSA-N 431.470 1.506 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C2)c(=O)nc1O 1653759771 JADBTHPWJPGNFK-FQEVSTJZSA-N 447.417 1.658 30 10 IDEE Cc1c(S(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)sc2ccc(C#N)cc12 1668333748 CKVHQPOXQUWKSO-UHFFFAOYSA-N 435.571 1.929 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)n1 1687389549 WRSHDWJDTHOVOO-SFHVURJKSA-N 431.537 1.771 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689982662 RQCJVFPWXSIRDM-XMSQKQJNSA-N 446.573 1.987 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689983771 HCZJXSJXXDIQGQ-FXAWDEMLSA-N 432.571 1.440 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)C2CC2)CC1 1690133552 LCRFKKKWOLHEHJ-UHFFFAOYSA-N 438.532 1.147 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690675957 LANAPYNBCJYRSP-KDURUIRLSA-N 429.521 1.626 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1692591746 DYLDBNWEDRHKKA-XMSQKQJNSA-N 448.568 1.158 30 10 IDEE CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CC1 1693738389 CFGVNAYGWBNTTJ-QGZVFWFLSA-N 437.614 1.750 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698486511 LTKFTALIHFPFBU-KCQYIYACSA-N 427.484 1.979 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)N(C)CC)c1 1705504789 DWGMLARMACIOKL-UHFFFAOYSA-N 433.516 1.818 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1705564114 LHRGVUIZSSRNJK-KRWDZBQOSA-N 426.477 1.549 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)N1CCOCC1 1705585226 OEZNSUYNVBKJNQ-UHFFFAOYSA-N 435.528 1.796 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)CC1 1705638791 WZODLZPMFMNLQY-OAQYLSRUSA-N 436.560 1.634 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705744486 FLOVNUVZTRYVMJ-OAHLLOKOSA-N 435.960 1.056 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCNC(=O)C1 1705897328 KLQHDGUMYVLDRW-HNNXBMFYSA-N 428.493 1.055 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)CCOC1 1706068237 GWSVDAYMIAKHEM-HNAYVOBHSA-N 425.555 1.492 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1706118929 DRMUPAHUZWCVAP-SFHVURJKSA-N 446.577 1.964 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1706649779 SAGDCIAAJCJVEZ-LJQANCHMSA-N 441.511 1.992 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1709906358 ZMQJCDWQZXMZNH-HOTGVXAUSA-N 449.556 1.803 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722292232 GLOYZUFSLMJOFI-SJLPKXTDSA-N 431.562 1.929 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1722333733 YTXJSKKYZYQMFM-KRWDZBQOSA-N 439.545 1.811 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1722351540 JCQARDFKYKCRJA-SFHVURJKSA-N 433.534 1.068 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1722359907 XHEJIECKTHZIMA-KRWDZBQOSA-N 449.964 1.745 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1722364408 GRJXTAGJRKNSQI-KRWDZBQOSA-N 436.497 1.404 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722435040 AKRZFNLZLMKHFP-UHFFFAOYSA-N 445.589 1.922 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722459639 OFQHSBQDVTWOQA-ZWKOTPCHSA-N 434.610 1.185 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722536979 JQRVVEVBBSXOIP-ROUUACIJSA-N 439.582 1.125 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722537623 PKKWEOHYRAXZAF-IKGGRYGDSA-N 437.566 1.020 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1722640078 ITTBFWHREQAJJI-RXVVDRJESA-N 449.577 1.531 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722730421 RBIYHBQGQQIRAV-HOTGVXAUSA-N 425.555 1.005 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n(C)n1 1725868770 HKHGEYKPIWDSJS-QFIPXVFZSA-N 434.504 1.521 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726968011 XEDKHZOMZKSGIE-KUOYXJDGSA-N 429.525 1.410 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC2CC2)c1 1730022693 IEGBLYPNDGDHDS-GOSISDBHSA-N 426.477 1.217 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1740632310 ZQCAPTGNPKAWOL-FOIQADDNSA-N 449.964 1.522 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C 1740732102 RMHQENZVJAMRSF-PDOICOKGSA-N 437.566 1.028 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740880091 CQCRUAHBJOJWEA-FQEVSTJZSA-N 445.612 1.323 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1740960186 MVIGZLCHMDQOOH-KZNAEPCWSA-N 432.569 1.605 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(N(C)C(C)=O)CC1 1740961932 MYNQQXGWRCMKLP-UHFFFAOYSA-N 440.548 1.627 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740962738 MXJSURUPOOPUCO-GOSISDBHSA-N 431.562 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740988162 VNPKDGDCEOJCIX-SJLPKXTDSA-N 436.534 1.832 30 10 IDEE CC(C)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1741514174 XWGIFYZYRPOVHS-KRWDZBQOSA-N 436.538 1.606 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC(C)C 1741663700 WMAKQORSHFROTM-UHFFFAOYSA-N 427.509 1.766 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1746186075 MZYWLVRWBSAEPN-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1748300121 SZPRIDDXNJLRBK-GOSISDBHSA-N 430.534 1.719 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748846407 GILPUCJPEBVSAP-FQEVSTJZSA-N 435.528 1.760 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2sccc2C)CC1 1749010328 QEQHWHGXLWUUCX-INIZCTEOSA-N 426.546 1.613 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749133065 HFGXGUFOSGLKBY-APWZRJJASA-N 425.537 1.642 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749211413 YGGNVNCXHDBVQE-JOCHJYFZSA-N 443.552 1.592 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1749213570 NRMYRYUMFDQGLF-HNNXBMFYSA-N 435.550 1.749 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C 1749558968 ZTHWYNJPSZXSLG-IPMKNSEASA-N 443.596 1.595 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C(F)(F)F)C1 1749650049 HSWSVHSMQRVLIK-ZDUSSCGKSA-N 432.447 1.266 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749676022 BDCUUNUIYHFPFJ-ZIAGYGMSSA-N 425.580 1.490 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C1 1750059067 AYHGYKFXFGPNBF-HXUWFJFHSA-N 436.520 1.820 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760141058 IHQPHJDMKWDLKA-GOSISDBHSA-N 447.547 1.581 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1760186152 AZKBXJOMYUFUKX-DLBZAZTESA-N 449.577 1.063 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1760188443 PDXLNDSDYLKMGI-ZWKOTPCHSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1760189881 QUAILBCAHJDNJR-RBUKOAKNSA-N 444.605 1.785 30 10 IDEE CCN(CCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1765218604 XZAFXFCNMCUIIM-INIZCTEOSA-N 438.579 1.331 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CC1 1765500039 MDISEBUVDBNHCL-IRXDYDNUSA-N 442.568 1.770 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1765679071 TZFKHXKKJKFXAD-YOEHRIQHSA-N 434.522 1.203 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1767916551 HCAYBHZVFQQDMJ-RKXCMPKHSA-N 443.529 1.639 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(O)c1 1771219150 JASCNZOPWFFLDF-VQIMIIECSA-N 426.521 1.933 30 10 IDEE N#Cc1c(-c2ccc(Cl)cc2)ccnc1N(C(=O)CN1CCNS1(=O)=O)C1CC1 1851778399 BSZMZKRXVQJGIM-UHFFFAOYSA-N 431.905 1.919 30 10 IDEE COc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2C)cc1 1853016891 IURMHLJQCANUIZ-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc(C#N)c(F)c2)CC1 1853057163 KIFAYDPQWMWLOP-SFHVURJKSA-N 445.520 1.833 30 10 IDEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870524831 KRLYARIANMUDTE-GOSISDBHSA-N 440.548 1.440 30 10 IDEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@@H](CC(=O)NCC#CCN(C)C)C4)c1 1890925223 MMMXZJKMMSPISI-KRWDZBQOSA-N 436.541 1.436 30 10 IDEE CC#CCN(CC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1900633796 YHUQLTZKWAMOPH-CQSZACIVSA-N 427.498 1.731 30 10 IDEE C[C@H](C#CC(=O)NCc1c(I)cnn1C)NC(=O)OC(C)(C)C 1902013798 KGUIPQIWOAYZAQ-SNVBAGLBSA-N 432.262 1.558 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2nncs2)O1 2033813518 COECPOWSWYJGOQ-GXTWGEPZSA-N 431.426 1.829 30 10 IDEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060633813 RUDUOUQWADGJMC-JSGCOSHPSA-N 436.318 1.643 30 10 IDEE C#CCn1ncc(NC[C@]2(NC(=O)OC(C)(C)C)CCOC2)c(Br)c1=O 2106092931 JJDZUMSTFUALAJ-QGZVFWFLSA-N 427.299 1.735 30 10 IDEE CC(C)(C)OC(=O)NC1CN(CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124543731 VNQMKGPRWRMLPA-UHFFFAOYSA-N 445.369 1.811 30 10 IDEE CC1(C)OB(/C=C/CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 2242192785 QHRFXXFHFXKHJU-YRNVUSSQSA-N 434.323 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2248402852 BMEAASRLZWVJKB-GFCCVEGCSA-N 441.721 1.858 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255698429 IRHJPDKOAGYNMU-NVXWUHKLSA-N 425.342 1.365 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705991 CCUHQWQCDSVLKY-HOTGVXAUSA-N 435.330 1.414 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2257633356 KRASMWGZSANYGK-CQSZACIVSA-N 438.330 1.927 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2nc(O)nc(O)c2Br)C1 2266494581 JCYAHWCPOQCESE-UHFFFAOYSA-N 427.255 1.896 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 2267188831 RDFOXRWVSNYYRS-QHCPKHFHSA-N 440.353 1.086 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267520470 NDUGJGDACBIEEZ-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE CSC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284401385 HXLLBGFBAGOTHV-VIFPVBQESA-N 441.789 1.795 30 10 IDEE COc1[nH]c(=NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787756 FHSSUEMIHPWJGT-QFIPXVFZSA-N 449.357 1.595 30 10 IDEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)NCc1ccccc1 20291875 JGPSGIMATTYCIT-SRZZPIQSSA-N 426.462 1.755 30 10 IDEE Cc1ccc(S(=O)(=O)NNc2ncnc(N(CCC#N)CCC#N)c2[N+](=O)[O-])cc1 40618161 QXPJNRGUYHPWCF-UHFFFAOYSA-N 430.450 1.632 30 10 IDEE N#CCC(=O)NC1CCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169852032 WXAYVRUFACSEFK-OAQYLSRUSA-N 444.491 1.915 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 439937267 BJUWYXLYQMXGNS-FPAYPSAMSA-N 439.472 1.102 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 441206613 XEYJYWDCIMEELP-VIZYAEIXSA-N 431.514 1.860 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 461748426 JYYCWRQURYXDSS-UHFFFAOYSA-N 440.485 1.624 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 478491888 PJTQTMMWTSCDOR-UHFFFAOYSA-N 437.518 1.229 30 10 IDEE C=CCOC[C@H](NC(=O)c1n[nH]c2ccc(I)cc12)C(=O)OC 481769902 RDXSPFFGQAMFHR-LBPRGKRZSA-N 429.214 1.642 30 10 IDEE COC(=O)[C@@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(F)cc1 485055227 JJGYVWKQMUPCPS-FQEVSTJZSA-N 433.461 1.836 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 507473069 UFMSDCHEGIMCMD-AQEOSJORSA-N 435.550 1.660 30 10 IDEE COc1ccc(F)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510700587 LZQVSLVJLOTMHD-UHFFFAOYSA-N 446.460 1.178 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 511414810 MGBRTAKVSWQUDU-UHFFFAOYSA-N 439.541 1.146 30 10 IDEE C=CCOC[C@@H]1NC(=O)N([C@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)C1=O 552737308 JYFQJFVOKCOJNN-OKZBNKHCSA-N 443.500 1.793 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1Cc1ccccc1 554522806 NTFUDWATHDCIIN-UHFFFAOYSA-N 449.532 1.533 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 578580570 KOIFBMDHUCIXKE-BBWFWOEESA-N 439.582 1.581 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(F)c(C#CCCO)c1 707465002 YFMRVCWTEGAAKQ-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 731401369 NRLPNFJSPMDSMM-GOSISDBHSA-N 433.530 1.633 30 10 IDEE C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(S(N)(=O)=O)cc1C#N 742175272 XGEUVJMJWGVETM-CYBMUJFWSA-N 427.486 1.406 30 10 IDEE C[C@H](CC(=O)N1CCN(C[C@H]2CCCCN2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742647677 QAMMLQHAMFROSK-QZTJIDSGSA-N 447.605 1.132 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 758661141 FDYVUWSKCXUPIV-SILNSSARSA-N 447.499 1.378 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1 763435791 AHUSUUBQXBHOON-AWEZNQCLSA-N 440.500 1.031 30 10 IDEE C#CCN(C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@@H]1CCS(=O)(=O)C1 774034838 IPFZDWMDMXCDET-GOSISDBHSA-N 439.497 1.199 30 10 IDEE CCOC(=O)c1c(NC(=O)/C=C\c2cncc(C(=O)NC)c2)c(C#N)cn1CCOC 776814115 CUHJDIKZVRKFKI-WAYWQWQTSA-N 425.445 1.589 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782883510 JEKCRSDDYZXHHF-ZDUSSCGKSA-N 434.415 1.962 30 10 IDEE C[C@H](C(=O)OCCC#Cc1ccc(CN2CCOCC2)cc1)S(=O)(=O)C1CCOCC1 788086974 QCKLMIKTLSUSCK-LJQANCHMSA-N 449.569 1.786 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)n1 788821071 WNARLPCUROLFSK-UHFFFAOYSA-N 436.472 1.465 30 10 IDEE C#CCN(C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 792079847 YGTBUKAMWFBFJF-AWEZNQCLSA-N 438.449 1.339 30 10 IDEE CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 806780713 FDQLPYOMKZUYJD-SKQREZPOSA-N 447.536 1.945 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c(C)c1 807930201 RDCHYNCJSVCIEY-GOSISDBHSA-N 443.577 1.632 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cc1 808113296 DFOYORIHWYUIMB-OAHLLOKOSA-N 445.497 1.975 30 10 IDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC)[C@H]1CCS(=O)(=O)C1 812026827 XLRKWPMEVHNQGZ-INIZCTEOSA-N 435.937 1.508 30 10 IDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812441900 ILLRZBPBDNVWGM-ZWKOTPCHSA-N 429.546 1.844 30 10 IDEE COc1cc(OC)c(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(OC)c1 918106265 UELQHKMEHOCHDK-UHFFFAOYSA-N 433.486 1.834 30 10 IDEE CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1130585257 KOOBWCCOSCLTQP-CQSZACIVSA-N 445.472 1.633 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)ccc1F 1131842473 POHRCYYXEVOHFW-GOSISDBHSA-N 448.520 1.316 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccccc3CC#N)CC2)c1 1135998028 DZDAOELPDSBZAM-UHFFFAOYSA-N 433.511 1.747 30 10 IDEE CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](Cc2ccccc2)C1 1144880089 WZMBLCCNANXETK-IBGZPJMESA-N 440.569 1.891 30 10 IDEE C#CCN1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1147283438 JPVBPJCUJMKVLQ-SFHVURJKSA-N 439.965 1.041 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F 1153334025 BTJVMOZZHFFDCM-PBHICJAKSA-N 441.431 1.376 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1=O 1155857220 CZRQYNPWQWFYHN-MHTXLSKPSA-N 427.567 1.380 30 10 IDEE C#CC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 1167531348 MINHYUKDXBUQLX-LJQANCHMSA-N 448.585 1.504 30 10 IDEE N#Cc1cnn2c(O)cc(CN3CCNC(=O)[C@H]3c3ccc(OC(F)(F)F)cc3)nc12 1169232591 GVCJUVGRDHCEAB-MRXNPFEDSA-N 432.362 1.878 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)C1 1171943620 BZTZEYIYRXAFJB-ASOMHNAZSA-N 446.504 1.694 30 10 IDEE COC(=O)[C@H]1CCCN(CC(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)C1=O 1264259239 JDCIZVTYPHUERB-AWEZNQCLSA-N 427.486 1.816 30 10 IDEE Cn1cc(I)c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1273009125 BYCWDKNOYWKPJD-GFCCVEGCSA-N 449.252 1.566 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCC(N)=O)CC1 1286318876 RPWDCQAKPZFEGH-UHFFFAOYSA-N 425.489 1.948 30 10 IDEE C#CCCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286335122 OCUYJSKCJDNDAL-JOCHJYFZSA-N 433.553 1.417 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2COCCO2)CC1 1286483993 CGNFVMICEDYMQC-FQEVSTJZSA-N 425.533 1.645 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286523110 VZEYJSSWKAHFOU-WLENULPWSA-N 438.507 1.705 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nccs1 1286546777 LPDYSIVLLKXFMO-LZWOXQAQSA-N 440.595 1.962 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1286605828 XIGOYUCXNYZSBX-UHFFFAOYSA-N 430.528 1.887 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286633111 SXCKNIZKCAXNJE-UHFFFAOYSA-N 443.939 1.287 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1286654569 DNCXUDVMHNIYFA-KKSFZXQISA-N 432.525 1.321 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286667700 MABJHJPYOHUHAQ-GVDBMIGSSA-N 441.598 1.875 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1286673534 YEKYYNJIVMDHHO-CVEARBPZSA-N 427.571 1.438 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1)C1CC1 1286732047 IOPHOYZPSDWTCR-RIFZZMRRSA-N 439.582 1.771 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1286758109 DLRNUOFSTQRZTI-QGZVFWFLSA-N 435.554 1.054 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1286969806 JATOXVMYCLNZRS-SFHVURJKSA-N 437.548 1.881 30 10 IDEE C#CC[C@]1(C(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)CCCN1C(=O)OC(C)(C)C 1295120461 ZJCAYMRFTISZQK-DYESRHJHSA-N 435.525 1.469 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300304497 PAAKQUKIKWZGIC-CRAIPNDOSA-N 426.496 1.711 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)CC1 1300680740 DBGWNWDOAJIOFR-UHFFFAOYSA-N 441.580 1.108 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)CN2CCOCC2)CC1 1300703682 PJZZZEOYJKFWJG-SFHVURJKSA-N 443.621 1.357 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1301253034 VEEVINJUKJVSBF-OAHLLOKOSA-N 446.581 1.562 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301501948 AERSAEVKQLRWQD-APWZRJJASA-N 440.504 1.198 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)C1 1301544975 BVGWHUNGCCGGSQ-IBGZPJMESA-N 437.508 1.228 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)C1 1301556207 GIISKNHFTRFNEZ-ROUUACIJSA-N 445.545 1.109 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nccc(C(F)F)n2)C1 1301565248 ALGGJSBYABWJAZ-AWEZNQCLSA-N 433.463 1.958 30 10 IDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1301708725 AXZBTRZGWSDQNM-GOSISDBHSA-N 433.534 1.779 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](NC3CCOCC3)C2)ccc1F 1303180216 KRJIBBOJUIGGLN-KRWDZBQOSA-N 425.526 1.663 30 10 IDEE C=CCCC[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1303686022 MHLKZLHFXUHMBU-GJZGRUSLSA-N 432.539 1.425 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1316085763 GPZOGXOVLQWRLO-MSOLQXFVSA-N 437.504 1.032 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1O 1316480945 WGDRDHLYNKZSPP-LZQZEXGQSA-N 444.561 1.448 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC=CCO1 1359023016 VUFUBYDTIAWORT-KRWDZBQOSA-N 444.561 1.669 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC2(O)CCC2)n1 1359028197 KITXJIWOQMRJQH-LJQANCHMSA-N 428.537 1.917 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCSCC2)CC1 1359031415 ARODZTSIFYQXGM-UHFFFAOYSA-N 426.590 1.758 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1359064645 XQEZCDIFJAKPOJ-GCKMJXCFSA-N 445.545 1.720 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1359097510 PYBIZKFLDDCBME-WIYYLYMNSA-N 440.548 1.925 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359142385 GRNRAUIIEMUMGD-SJORKVTESA-N 440.976 1.497 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1359231154 PEBZDDLBZHRSGF-INIZCTEOSA-N 429.550 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359331231 RSULEFFPOMQKGG-INIZCTEOSA-N 444.565 1.082 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1360315086 BDFTWZZOYXSGCO-QGZVFWFLSA-N 436.513 1.065 30 10 IDEE CN1C[C@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)N(C(=O)OC(C)(C)C)CC1=O 1436539199 CTQOVQCHEJYHTC-HZPDHXFCSA-N 429.477 1.011 30 10 IDEE COC(=O)Cc1sccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1441007209 DORYSSWOJTVWJZ-UHFFFAOYSA-N 433.511 1.482 30 10 IDEE COc1ccc([C@@H](CO)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1451107172 KPKKMQYGHIVNOZ-XLIONFOSSA-N 436.468 1.664 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 1457216569 ZELNJIHWYCMDHH-OAQYLSRUSA-N 444.509 1.829 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1463180162 BROZZFHVWNQBRH-ILXRZTDVSA-N 426.254 1.882 30 10 IDEE CCOC(=O)c1c(NC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)c(C#N)cn1CC 1466880319 ALDWYTJXKYMBBF-CQSZACIVSA-N 426.495 1.224 30 10 IDEE C[C@@H]1N(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1494633166 KALITVSAPOLECG-STGLLQLASA-N 425.493 1.803 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2ccnc2C)C1 1503872205 GIHQWMPOCDKZQC-SFHVURJKSA-N 435.488 1.933 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1504124006 IACYHSPGLPIPJA-RTWAWAEBSA-N 430.484 1.471 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1504605621 QDWVEUXTWGEIHK-KURKYZTESA-N 428.468 1.663 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1507711171 PJVOGCCRGBXQLM-IAGOWNOFSA-N 446.529 1.106 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1507722384 VQRRDQIZELMBNP-KRWDZBQOSA-N 430.578 1.503 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC(=O)NC)CC1 1507723117 VSGYDOKPNBYJQA-UHFFFAOYSA-N 426.521 1.244 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@](C)(O)CC)CC1 1507723907 YXBKBYNVJCJOAY-XMMPIXPASA-N 449.559 1.591 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507724496 GACVSODUQWNYQI-OAQYLSRUSA-N 425.581 1.396 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2([S@](C)=O)CCC2)CC1 1507741156 MSOYTZLJISZBOU-ZQHDKMAOSA-N 433.578 1.397 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2OC)CC1 1507901649 DDQFUXRWYIIOJH-INIZCTEOSA-N 448.593 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C)CC1 1508144519 FNWXTLWGKXYXIK-UHFFFAOYSA-N 447.609 1.893 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508160823 XGCNSOCXOBLUKF-HOTGVXAUSA-N 429.612 1.609 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1508433590 KJQVEINBCOJNCD-MPGHIAIKSA-N 433.534 1.490 30 10 IDEE CC[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1513995768 BIIAGRRIWLUXPV-QAPCUYQASA-N 432.550 1.903 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1516849713 DECKSFLUCPUXND-IYBDPMFKSA-N 432.550 1.760 30 10 IDEE CN(C)CC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1517013004 QGVRJJZGJRMKHQ-LJQANCHMSA-N 438.580 1.963 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1517624588 DPHYHGXHOZDDIQ-IBGZPJMESA-N 444.561 1.619 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](OC)C(C)C 1519446912 IAOUOCLCIZSKKY-FFGOWVMKSA-N 432.569 1.850 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCCCO)CCN1C1CC1 1521136037 AFFDEHUVRQLSMK-QGZVFWFLSA-N 443.577 1.609 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCNC(=O)C2CC2)c1 1539043733 UGJKEDJKCZGURB-SFHVURJKSA-N 436.516 1.364 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539200790 OLIBDXGGLNNWAO-QGZVFWFLSA-N 435.594 1.967 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539218967 ARUJFZVONXTCME-HKUYNNGSSA-N 429.546 1.355 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1539261126 YKRXLXKRXJZEQG-VQTJNVASSA-N 433.512 1.826 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1539272866 FQOHQQRPROATNV-QGZVFWFLSA-N 433.512 1.854 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)OC)C1 1539526853 VQWBVYKKGLCGBC-AWEZNQCLSA-N 433.559 1.635 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N(C)CC(=O)N1CCOCC1 1539578644 AZJMNKZTQNYKGH-AWEZNQCLSA-N 446.346 1.206 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539614635 AWTREFCBNDLHJO-MKXGPGLRSA-N 448.568 1.539 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1539650709 UPJXSLOPCJCZHQ-HNNXBMFYSA-N 436.586 1.657 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540118776 AXZRGQCNPVENEH-NRFANRHFSA-N 432.546 1.906 30 10 IDEE CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1545822297 YWGSFZJQLOWEFB-VAMGGRTRSA-N 432.569 1.995 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 1554305923 PPXPXEMAVRTWSH-SFHVURJKSA-N 448.549 1.283 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1556833398 XWTAJKJUXQXPOJ-QZMQVMSPSA-N 434.492 1.871 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)N2CCN(CCC#N)CC2)s1 1563965100 FCPMNQCDUMJFQD-UHFFFAOYSA-N 427.596 1.562 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 1564395926 RYRGMVUUOWOMJN-UHFFFAOYSA-N 437.522 1.569 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1587572167 CPJSAOOKJMWZTO-RMKNXTFCSA-N 435.477 1.936 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1587638118 BTFJVQHKIPSASQ-WMZOPIPTSA-N 439.582 1.276 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)N1CCOCC1 1588073938 GGZFJSIZUHGFSO-SFHVURJKSA-N 440.573 1.624 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1588764677 CPLVKVVQVJKLBC-INIZCTEOSA-N 428.551 1.603 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1595302909 GZNFUGRAXKIJBK-MSOLQXFVSA-N 439.582 1.606 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1595556726 ZRQHKECKBBICNX-UHFFFAOYSA-N 436.476 1.589 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncn(C)n2)C1 1595680069 FTGZMADMZXQQSV-CYBMUJFWSA-N 433.314 1.994 30 10 IDEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(=O)NC)C1 1595849577 BTZNFCILIQNKJI-INIZCTEOSA-N 432.506 1.724 30 10 IDEE CCS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617374604 CMKJKPMXINRLEF-UHFFFAOYSA-N 445.549 1.410 30 10 IDEE C#C[C@H]1CCCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1618915687 BSZUOZYOWNEHPU-SFHVURJKSA-N 437.544 1.914 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C[C@@H](C)O1 1619736523 DISOOVRABZMSAO-YWMUFLPLSA-N 429.546 1.925 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 1628662139 IIRZVMQZNQEEQX-SFHVURJKSA-N 425.466 1.671 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC(F)(F)[C@H]3O)CC2)cc1 1629807510 DQXOESVGJSUJAB-SJORKVTESA-N 427.473 1.624 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)c2ccc(Br)cn2)c1 1638143763 OGRWESHBGPTWMK-UHFFFAOYSA-N 436.287 1.368 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(CNC(=O)OC(C)(C)C)CCCOC3)CC2)c1C#N 1638691810 QDOOUNFBSWNKOV-QFIPXVFZSA-N 446.552 1.570 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C#CC3CC3)CC2)c([N+](=O)[O-])c1 1638845576 KDEKTZJLNPKHHG-UHFFFAOYSA-N 434.518 1.687 30 10 IDEE C=CCNc1ncc(C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 1639348106 VGHVCXNXJFKRLS-UHFFFAOYSA-N 425.492 1.700 30 10 IDEE N#CC1(CCCCN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CCC1 1642067899 DRNBTMBCOQZJAN-UHFFFAOYSA-N 440.591 1.504 30 10 IDEE CC1(C)[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1N1CCOCC1 1644252194 NNOHDOZKNKDBSZ-QZTJIDSGSA-N 434.562 1.121 30 10 IDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nc3ncc(Br)cn3n2)C1=O 1651789535 IYUSDGYXCDDBNP-QGZVFWFLSA-N 426.234 1.726 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@H]2C2CC2)CC1 1655716785 OGEFBLRYGRUNHL-MSOLQXFVSA-N 436.603 1.356 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nn1 1664906927 JKGSGGKZPNFRGY-UHFFFAOYSA-N 425.536 1.117 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)cc1 1669291333 RFHPPDGNFHQSJC-UHFFFAOYSA-N 440.518 1.578 30 10 IDEE CC(C)[C@@H](CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(=O)OC(C)(C)C 1682907932 OFOXHCXCEWQYCB-KHYOSLBOSA-N 428.555 1.506 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]34)CC2)c1C#N 1685128782 WDDYCQJUOHNQGD-NNZMDNLPSA-N 443.552 1.545 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1690092228 AOSRHDASQDBDAF-JOCHJYFZSA-N 437.504 1.022 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690218409 FRRMFDHTORUNHV-GOSISDBHSA-N 446.309 1.550 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690321977 PZKOBEMSPKBXGI-HXUWFJFHSA-N 446.596 1.857 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690495496 BPUNTUXFUMDSRI-SFHVURJKSA-N 427.553 1.909 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccncc2)CC1 1690512043 KOXMMWLRJUGXGR-UHFFFAOYSA-N 438.580 1.744 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1690667200 UTRCODITMIMSMT-UHFFFAOYSA-N 448.575 1.920 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690670362 AFBDQLZLVDSQNP-HNNXBMFYSA-N 446.581 1.215 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccccc1 1690670432 BOCVRRWDJSGAOX-MSOLQXFVSA-N 429.546 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1690720763 RVWMYUAPPNPTAH-SFHVURJKSA-N 431.518 1.269 30 10 IDEE Cc1nc(CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)n[nH]1 1693364672 DWGSUGAVFNEFHT-HNNXBMFYSA-N 435.540 1.860 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1694328162 WPNHYWBKNAOFMM-ORYQWCPZSA-N 434.516 1.977 30 10 IDEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 1697808459 FNZFSXOISRHHCI-IRXDYDNUSA-N 437.566 1.506 30 10 IDEE CS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1698318318 XLYIPJFVXOIZCP-OTWHNJEPSA-N 444.561 1.465 30 10 IDEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1698452167 JGEYRACVVYFPET-HUUCEWRRSA-N 433.513 1.042 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705559575 CWQOAPZRGQFTST-HZPDHXFCSA-N 442.607 1.386 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1705627201 YOECZEHUMZJMGT-QFIPXVFZSA-N 447.543 1.895 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705638140 AGMNLLMNWHVTCC-UXHICEINSA-N 427.597 1.352 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705694472 RGIGJYKUCJOGNS-ULQDDVLXSA-N 439.582 1.411 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1Cc1ccc(C#N)o1 1706882894 ZBZLSYAVFNSOHY-CXAGYDPISA-N 444.521 1.476 30 10 IDEE Cc1ccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1F 1707315321 HGVGQHYVAHYYSW-QGZVFWFLSA-N 438.467 1.285 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1710456893 GQCOXYYEKKZGEG-SFTDATJTSA-N 430.484 1.602 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722335194 CHRDWDNFFMIJIU-CQSZACIVSA-N 426.502 1.631 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC=C 1722342160 LKSCOLNXGFENMP-UHFFFAOYSA-N 435.937 1.532 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCS(=O)(=O)CC1 1722346530 SDBFEEAEPPDJOY-UHFFFAOYSA-N 440.472 1.556 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722368082 ZBJZPDNBJGVRSN-SJLPKXTDSA-N 432.546 1.539 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2cnn(C)n2)CC1 1722439187 RUZBZDXVXDUIIO-UHFFFAOYSA-N 440.502 1.664 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)SC)CC1 1722443733 MYVAPNCJUWGCQZ-HRAATJIYSA-N 435.594 1.648 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(C)c2)CC1 1722443902 PHRZQHWOGMKIRW-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(N)=O)C1 1722484542 IBJFQLYXBXALFL-ZDUSSCGKSA-N 434.294 1.937 30 10 IDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722551966 JWWSANPJEBLTDX-KFWWJZLASA-N 441.916 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCn1cccn1 1722698158 VYMNXHVDSVNJSO-UHFFFAOYSA-N 433.476 1.229 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1722867287 FYMBKCITRWXURB-SJLPKXTDSA-N 444.561 1.435 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1740565362 SUTDRLOBCSLNGH-UHFFFAOYSA-N 425.537 1.656 30 10 IDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740578053 XLKLRNVEFMEBSG-UHFFFAOYSA-N 442.545 1.614 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1740581687 DGCSUPHREYEEBS-UHFFFAOYSA-N 440.548 1.634 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740620565 DXVBHKVYGWEHPI-GOSISDBHSA-N 446.577 1.012 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1740623250 QLHJNKGBQWIMNV-MRXNPFEDSA-N 434.591 1.895 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740706315 RYJFBHCDOMABHN-QZTJIDSGSA-N 442.564 1.053 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1740731478 BZTBMNJHJQPFLT-DYESRHJHSA-N 435.594 1.283 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740742849 DCQMBJNJQVJYNM-KGLIPLIRSA-N 439.358 1.880 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740763151 ZBEFSAGTAAVSBG-CBZIJGRNSA-N 437.566 1.224 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C(N)=O)CCOCC1 1740905124 KIMLBKQHZSQIBG-IYBDPMFKSA-N 448.568 1.953 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740947027 NZVRTYDJKQUPKZ-NQIIRXRSSA-N 447.561 1.203 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1 1740968500 JKCCDIWTNQEOAH-DOTOQJQBSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740989165 CFGRSQSIIBWYJX-OAQYLSRUSA-N 447.561 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCOC1 1740993324 XNZDVLJSIYHAOD-OAHLLOKOSA-N 425.580 1.707 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1741920581 MJGXJFAOWQVSQE-XOBRGWDASA-N 449.581 1.029 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742393903 MQAGGDFSLIFXBW-BWORXHKJSA-N 449.515 1.482 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1746279828 IXQBDDFFDRVVAW-ROUUACIJSA-N 437.504 1.810 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1748887762 HEXSMVLIUAOSQB-UHFFFAOYSA-N 445.545 1.682 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSCCCO)CC1 1748993930 QTWCMKCQJQCBLO-UHFFFAOYSA-N 439.589 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C)cs2)CC1 1749009787 LKYWWXIMXAJAJM-HNNXBMFYSA-N 427.534 1.008 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)OC)CC1 1749014816 PFXGVSASMBTNRT-OXQOHEQNSA-N 439.516 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C)no2)CC1 1749016355 BRZGXRYGHVQBEB-UHFFFAOYSA-N 439.545 1.944 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749083671 PLSXWDSIWXEIHW-UONOGXRCSA-N 437.342 1.480 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749225190 BYCALMNIUJBAFB-IEBWSBKVSA-N 432.569 1.511 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749362866 WQTUCAXOCILQPC-DBVUQKKJSA-N 428.512 1.958 30 10 IDEE CS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1750217271 HRHNVMKSUZYHOF-UHFFFAOYSA-N 430.534 1.624 30 10 IDEE Cc1cccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1751415518 YDWWTLHRRJKYNQ-SLNYWTKHSA-N 449.515 1.700 30 10 IDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760154167 PDMBPJIFRVUTKL-UHFFFAOYSA-N 438.507 1.349 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC=C)cc2)CC1 1760260861 FYIOMIVLUYQYJT-UHFFFAOYSA-N 434.544 1.769 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCC[C@@H]1NC(=O)NC1=O 1760334977 PEROLCFHYKQOBR-AWEZNQCLSA-N 429.481 1.396 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(C)(=O)=O 1760335004 QKVUBFGQVRZBDV-UHFFFAOYSA-N 445.549 1.936 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760449740 STLLWUNFQVHKCA-ZWKOTPCHSA-N 428.541 1.872 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)C1 1760536859 GNMOBTRCTKTGDZ-INIZCTEOSA-N 432.912 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC=CCC1 1760554068 QIZJCAHCWACQKS-UHFFFAOYSA-N 426.502 1.961 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1760835108 FWMYIFLFCGDAJO-FQEVSTJZSA-N 440.548 1.957 30 10 IDEE CCC[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1766347355 FGVUFHVMBAXJHN-ZXFNITATSA-N 426.518 1.414 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)SC)C[C@H]1O 1767928867 YFHYRCSXAULPBW-QGPMSJSTSA-N 445.545 1.840 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C 1768896698 SZVOVBNHJTXJAW-UHFFFAOYSA-N 433.520 1.736 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1769897057 WFPBQTMFWQDSJT-LJQANCHMSA-N 437.548 1.500 30 10 IDEE 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CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1-c1ccccc1 781655092 LGFCOQUDJGCVED-UHFFFAOYSA-N 448.548 1.949 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1Cl 785529259 XMSKRJBDXYBKTL-UHFFFAOYSA-N 440.934 1.370 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(Cl)nc2)c1=O 795192770 BILDWKBYANKUCP-UHFFFAOYSA-N 439.928 1.862 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 812179525 URQRDRLLJCZDBL-JKSUJKDBSA-N 434.541 1.864 30 10 IDEE CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CCN(O)C1=O 816692605 RLCOMYAAQXOMCI-OLZOCXBDSA-N 430.324 1.407 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 914594482 BOLPUYAKJOCEIH-MAUKXSAKSA-N 434.514 1.827 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1OCC 921045395 UYUBUBXURJXCHX-KRWDZBQOSA-N 425.510 1.913 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)nc1 1143527883 ABZKPBJXNFTVQS-UYAOXDASSA-N 434.418 1.849 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1143720029 LNPVKAJQHNRRDN-BEFAXECRSA-N 444.561 1.313 30 10 IDEE COC(=O)[C@H](Cc1cncs1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1175926591 RUAKOKPYIOYVST-RBUKOAKNSA-N 445.520 1.365 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(CCCCC2)O1 1286399217 BOCXOFGEDKBHBP-QZTJIDSGSA-N 433.578 1.843 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1286438550 FJBNCNGEZBYUQR-JOCHJYFZSA-N 439.589 1.349 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286443702 MHXIGIBYRLJBND-RTBURBONSA-N 436.516 1.855 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCC(OC)CC2)CC1 1286493213 MBHXHIKIHPCNHT-SKINQDTJSA-N 429.565 1.953 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1286526256 PKXBPHHMTSASIO-OAQYLSRUSA-N 443.577 1.489 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1286549070 CZRQYMKKNRXWTH-OXJNMPFZSA-N 427.505 1.880 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2COCCO2)CC1 1286641310 VZYKYQJVKBIZEC-SFHVURJKSA-N 447.561 1.767 30 10 IDEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286702771 VXIFDJKVQNZJKM-UHFFFAOYSA-N 428.562 1.824 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1286726401 DXHPLKQNVHJNCU-GOSISDBHSA-N 431.562 1.687 30 10 IDEE C=CCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286777814 MHUCJCOZMNHKIW-QFIPXVFZSA-N 441.536 1.325 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286788876 JFKMWCWVTNPOMB-OAHLLOKOSA-N 430.940 1.882 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC2CCOCC2)CC1 1286816251 DJOCFTTVZKICCJ-GOSISDBHSA-N 439.626 1.941 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1287988685 HWWXLDABIUYRRW-UHFFFAOYSA-N 435.502 1.205 30 10 IDEE N#C[C@@]12CN(C(=O)/C=C\c3ccc(I)o3)C[C@H]1CS(=O)(=O)C2 1289202964 CLCXWCMIWIAVSP-GOUNYYSDSA-N 432.239 1.294 30 10 IDEE Cc1nnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)s1 1290691186 ASXTXLGPNDKXMM-UHFFFAOYSA-N 443.558 1.700 30 10 IDEE CN(C)C1(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)CCOCC1 1298041450 BFUPIKKWCMXAJK-UHFFFAOYSA-N 429.569 1.755 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1300382681 ZDFYBGVTEGQBQM-UHFFFAOYSA-N 438.507 1.915 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1300466064 TYQPGISKRFKIPK-INIZCTEOSA-N 434.541 1.572 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300493474 UWYFJSLZXJFBQG-HZPDHXFCSA-N 433.559 1.160 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1300493494 VOXRVVCBTIHAQW-FXAWDEMLSA-N 437.635 1.610 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCOC1 1300663492 DGRYCUKUBROJFM-KRWDZBQOSA-N 436.516 1.705 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCCO2 1300675628 UWAHPDKPQCXEFI-UHFFFAOYSA-N 425.489 1.306 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300754795 WEPPYBBPMPEXTO-MRXNPFEDSA-N 425.518 1.179 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300948892 HANWORJQMHCUHT-WDSOQIARSA-N 429.569 1.184 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301248832 LBVAVIWWKMHMFT-KRWDZBQOSA-N 447.565 1.332 30 10 IDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301251260 AHNFSXWKRGATBW-GOSISDBHSA-N 439.582 1.379 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N1CCOCC1 1301425812 LKLGIHIAVQZSSH-UHFFFAOYSA-N 439.520 1.014 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC1 1301575169 CONWSUVEWUFYOV-UHFFFAOYSA-N 430.328 1.473 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(C)CN(C)C1=O 1301806479 IHTQOPWVGCYIRQ-QHCPKHFHSA-N 448.531 1.976 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1301835907 DJJRVWZORFJNIC-UHFFFAOYSA-N 447.499 1.945 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1302030018 QPFHMHKBBXHOFS-AUUYWEPGSA-N 436.513 1.936 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2cc(Cl)ccc2F)c1=O 1307378480 GYWDQOCJBVJXLJ-UHFFFAOYSA-N 436.827 1.655 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H](OC)C(F)(F)F)CCOC1 1314141033 NCMWASQRTJTOAL-JKIFEVAISA-N 433.431 1.626 30 10 IDEE CSCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1316462102 WWSFGWKKEKYTQM-CABCVRRESA-N 430.600 1.350 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2F)CC1 1350392545 GRBAEMFGXOQVIM-UHFFFAOYSA-N 449.460 1.841 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(C#N)cc1F 1356064233 GLSYBXSDWKHYAD-UHFFFAOYSA-N 432.477 1.894 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358955105 DQGCJYURFHMZTB-QGZVFWFLSA-N 445.545 1.122 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1358957647 XVHNMSLNLXNNLT-ZWOKBUDYSA-N 440.566 1.198 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1358967605 NVDRTUPXBKAGSZ-NRFANRHFSA-N 440.592 1.724 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1358968029 XYHISNFROSMOIR-CMKODMSKSA-N 438.594 1.893 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CN2CCOCC2)CC1 1359036855 LRQOKWHHANDWHF-FQEVSTJZSA-N 440.567 1.732 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1359105759 UAIUZMLBYTVENR-OYWYANMWSA-N 447.580 1.968 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1359291169 HFYUSKZHTGDZHA-UHFFFAOYSA-N 440.504 1.224 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359301904 PAGNLNQRNBBDAB-FDDCHVKYSA-N 425.533 1.864 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(F)cc2C1 1359327097 RUORUEWADJVGMM-UHFFFAOYSA-N 447.536 1.817 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1439794967 JDAAMSJGHGZAAH-APPDUMDISA-N 426.520 1.178 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C(=O)OC 1451174021 PEXJJHCBRZOHKJ-CQSZACIVSA-N 429.292 1.185 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N(CCC#N)CCN2CCOCC2)cs1 1464557422 PMDLKYCNEAYPHL-UHFFFAOYSA-N 437.566 1.785 30 10 IDEE CS(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Cl)cc1Cl 1464928548 YHDPRUPDQGWKDE-PEZBUJJGSA-N 432.285 1.653 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 1471485255 DSMFZIIFDBXIPC-DJIMGWMZSA-N 429.502 1.521 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1471629034 DDQPZYGQOXGUSB-DEOSSOPVSA-N 447.583 1.936 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)cc1 1472208165 LXKRNNZZLRSLBN-LJQANCHMSA-N 430.482 1.900 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)[C@@H](O)[C@H](C)C3)nnc12 1472597726 UICNTCRKHIZJRP-UOIKSKOESA-N 427.530 1.798 30 10 IDEE CN(C)CC1(O)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1473682574 DBWKDXHWGLRXQD-SFHVURJKSA-N 443.592 1.745 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C[C@H]1O 1503884021 VZLGMHJCBITINB-RADWXHQJSA-N 425.489 1.338 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1504957518 KQQMHKMDZRRZAT-IAGOWNOFSA-N 439.582 1.957 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1507534038 QIBSYAPEKADLCV-HZPDHXFCSA-N 433.516 1.802 30 10 IDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1507608363 MCKLIJUYFMOAHB-UHFFFAOYSA-N 427.530 1.446 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507630106 SWWUZZRSJQGWAD-LBEKAKSKSA-N 445.570 1.212 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507732623 IKMHEQBNBVYNRO-WSTZPKSXSA-N 442.608 1.867 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC[C@@H](C)C2)CC1 1507732935 LQVIAXXXNOXNRB-HKBOAZHASA-N 430.597 1.489 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1507750683 BUDVZCUXEKFXSG-MSOLQXFVSA-N 438.619 1.942 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507804350 KLNSKIWOZVYULF-UGKGYDQZSA-N 430.597 1.956 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1508084417 NWDBXWNVNKDGNI-QHCPKHFHSA-N 436.491 1.803 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1508354232 FPZUFLIXHHSNTC-LJQANCHMSA-N 448.531 1.863 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516869234 YWZSNQHJAYNEHQ-FZEVHQGJSA-N 443.533 1.798 30 10 IDEE COc1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)ccc1C#N 1537843821 CZVOMGCOPOUPMC-UHFFFAOYSA-N 428.514 1.433 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCc2ccccc2)CC1 1539094332 OFSZSJYDQZYCBO-IBGZPJMESA-N 444.605 1.666 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1539643794 BELWVQHDMSOSMS-AWEZNQCLSA-N 426.481 1.316 30 10 IDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539749962 FMFGQYNBBIBPDD-MOPGFXCFSA-N 443.504 1.335 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539803000 CUBFUSBLAFDQGA-QAPCUYQASA-N 433.896 1.884 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1540151462 HQVZHYOSHWKSAN-UHFFFAOYSA-N 444.561 1.649 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1540868736 POLJAADOACFHJZ-UHFFFAOYSA-N 437.504 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCNC(=O)[C@H]1CC 1540899592 UDKGDQYHIPOLJR-GOSISDBHSA-N 431.562 1.823 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1541089556 AZWALRYAXGVRMP-FQEVSTJZSA-N 433.516 1.921 30 10 IDEE CCCN(CCC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1547137516 GYOXFXIHMGFFFG-NRFANRHFSA-N 447.561 1.905 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C)cc(OC)c1OC 1554745140 FLUQNAJUHHSDPU-GDBMZVCRSA-N 430.509 1.650 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)s1 1556415572 XDCCOVIGZDAVOE-HNNXBMFYSA-N 437.591 1.582 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1556650325 HFYJJMZELGLUTN-MOPGFXCFSA-N 435.546 1.068 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2ccccc2)cc1Br 1565630205 UUHBQBKDBBFTAR-FBMGVBCBSA-N 430.262 1.891 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1587567029 AIJZYMPMOLCTMK-JPYJTQIMSA-N 440.548 1.668 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C(N)=O)nc1 1587579504 HESRYKMNQDIUGA-AWEZNQCLSA-N 438.513 1.349 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1588030428 UWKPYUZHBUQHFB-QGZVFWFLSA-N 430.534 1.430 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588049215 CCWMLFFCGFNLTB-OAHLLOKOSA-N 428.543 1.780 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1588646009 FSMABONRYPGZIZ-GOSISDBHSA-N 434.566 1.170 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1 1589590616 XYPDHNOYNCARKQ-HNNXBMFYSA-N 447.627 1.648 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1 1595476311 JTNCRUYOJRIIMD-OAHLLOKOSA-N 444.511 1.951 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1595476733 MXCJVCOGINOKTI-QZTJIDSGSA-N 445.612 1.663 30 10 IDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595890056 HOECRKGCVAKMFU-UHFFFAOYSA-N 436.607 1.701 30 10 IDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)C2=O 1611648601 BHUDHJUGIGJAAD-PEBXRYMYSA-N 442.472 1.391 30 10 IDEE CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613493667 ZDUOZRJIPKGUCK-QGZVFWFLSA-N 439.520 1.969 30 10 IDEE CCc1nnc(N2CCC(CN(C)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613971140 OPXJZJRQJOMFLL-MRCUWXFGSA-N 429.569 1.924 30 10 IDEE CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1F 1618232932 GEDLOSXKUQVGMN-WBVHZDCISA-N 427.484 1.624 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)cc1 1619239573 HJOMEFJGSJKXIV-LJQANCHMSA-N 426.521 1.715 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1619615937 MQYLIFRFIDWTSG-OALUTQOASA-N 425.468 1.903 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CCN1S(C)(=O)=O 1620313390 LBSJQTGBSUOQKF-LPHOPBHVSA-N 442.545 1.632 30 10 IDEE C#CCCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1622332884 ZNVIBXNCAHORAZ-OLZOCXBDSA-N 426.457 1.583 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1626424348 IGSQRYMINZOVCG-UGSOOPFHSA-N 432.443 1.983 30 10 IDEE C#C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1627746016 HHGOWMZYWJPATJ-FQEVSTJZSA-N 445.585 1.788 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1629823744 OHELOGGAHVYNNF-UHFFFAOYSA-N 449.227 1.825 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCC(=O)Nc1cccc(Cl)c1C)c1cc[nH]n1 1631972308 VYTQTNDJDQTMCK-UHFFFAOYSA-N 435.868 1.800 30 10 IDEE COc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)cc1OC 1639130185 CEBGOBRZDNDDEC-HXUWFJFHSA-N 445.497 1.454 30 10 IDEE C#CCN(CC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)C(=O)OC(C)(C)C 1641376738 FZXKAGKKNWNMAR-HDICACEKSA-N 425.485 1.500 30 10 IDEE C[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1 1643818327 GJWDNUARTKTTOD-CQSZACIVSA-N 449.554 1.439 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1644579933 DVULMWMUWKBJNB-KSSFIOAISA-N 430.486 1.383 30 10 IDEE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(C(F)(F)F)cc1C=O 1648155216 AQJYTBULMGWCBK-WMLDXEAASA-N 429.420 1.351 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1 1650846232 OIPTWAGVJJMCEB-UHFFFAOYSA-N 441.435 1.117 30 10 IDEE COC(=O)[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1655704988 WUCHBCWCXIFIHR-ROUUACIJSA-N 445.516 1.640 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)cc1 1673398113 DYUYSWPCEJONMO-HNNXBMFYSA-N 432.506 1.389 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)(F)F 1689978157 NWZXQTSSPJUYNF-BETUJISGSA-N 444.458 1.797 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689994012 PHAWNYAXITYINA-WOJBJXKFSA-N 442.589 1.375 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccc(F)cn2)n1 1690109574 WOQZFOCAKZAWAU-UHFFFAOYSA-N 447.478 1.800 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690122553 VJRNHWNLCORTAI-NHCUHLMSSA-N 437.592 1.903 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCOC2=O)CC1 1690146014 CZMPYIFKLMJVJU-SFHVURJKSA-N 444.536 1.328 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690312821 DBTHEJDYUMYGKD-KSZLIROESA-N 441.598 1.686 30 10 IDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(C)(=O)=O)CC1 1690410193 CQHFQDAFWCAAEC-UHFFFAOYSA-N 442.545 1.639 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1690515609 PVVFVEZTUFJJDE-MJGOQNOKSA-N 448.593 1.584 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1690665461 DTNZJZZWSQXGHS-QGZVFWFLSA-N 428.537 1.413 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690673088 NVZUMMLEMXLLAW-LJQANCHMSA-N 449.563 1.691 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1690700347 QWYLLJZRCGOMDW-ZWKOTPCHSA-N 447.561 1.453 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1691007144 UHHIKZMKJAWGJD-HOCLYGCPSA-N 435.492 1.101 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(C(=O)NC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694036171 KROAPVSHCFDWJV-SYLQMPFCSA-N 429.525 1.280 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1694795010 RYTPTCGPCFSLTC-IRXDYDNUSA-N 446.458 1.868 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCCC2)CCO1 1696964260 IAWIANIJDNOAOM-XLIONFOSSA-N 437.548 1.500 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(Cc2ccccc2)CC1 1705573355 FHXXKLZSJUFEEU-GOSISDBHSA-N 425.558 1.984 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1705587850 LTVLVHQEPJCNKE-GOSISDBHSA-N 438.507 1.363 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1705634676 FTLXOILHVNNNAH-RTBURBONSA-N 433.553 1.301 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC(=C)C)CC1 1705638171 BAKDCRFTVPDGOX-UHFFFAOYSA-N 433.516 1.942 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705812372 XZSIJMNVQDGJOJ-CVEARBPZSA-N 426.587 1.596 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705899321 PAAZRLKYXLDATO-MRXNPFEDSA-N 436.520 1.822 30 10 IDEE CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706064540 VSYIXTBQOFEJEP-GOSISDBHSA-N 441.511 1.699 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2cccc(Cl)c2)cn1 1711251341 FMVYPZRWHWQHSV-YLJYHZDGSA-N 427.896 1.968 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1712319495 RQONJQJTLCICMQ-FVJLSDCUSA-N 427.461 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1722297167 YCAHNCNYTFOAOB-HOTGVXAUSA-N 427.571 1.132 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722370671 DPMNWLCTCCSEED-LJQANCHMSA-N 441.557 1.384 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H](C)C1 1722381795 BQGIQZFMSMETSV-PMACEKPBSA-N 431.606 1.765 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722383729 QQGMVRYLORIYRJ-UXHICEINSA-N 426.565 1.188 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC(F)F)c1 1722401036 IXNAIXCUJINJLC-UHFFFAOYSA-N 428.443 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCSCC2)CC1 1722448572 ZKIDUWLEXNCLKO-UHFFFAOYSA-N 432.638 1.881 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722525010 FWLLUNNCQYSCJP-UHFFFAOYSA-N 426.569 1.649 30 10 IDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1722626994 ILJIYJXWBBICLX-UHFFFAOYSA-N 440.552 1.371 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722682252 YJWRXRZHIMMLKN-UHFFFAOYSA-N 432.912 1.518 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccs1 1722689934 BWNDTFIMXKOQBH-OLZOCXBDSA-N 426.568 1.449 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722724797 GJCMCQNPODTILT-UHFFFAOYSA-N 449.581 1.436 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1729593143 RENNFFUVEXPMIH-DNVCBOLYSA-N 445.321 1.915 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1740587858 ZBXUIWDTGYISBJ-UHFFFAOYSA-N 447.543 1.992 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740624082 FCUUWKLRVUFXJZ-LJQANCHMSA-N 444.561 1.113 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1740639463 BWPHYHOINWVZQM-MRXNPFEDSA-N 449.483 1.340 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1740644383 DHVWCUBZPOMEIR-IEGUWTFLSA-N 443.548 1.927 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1740656473 KFBLVRZNOPUZEW-QGZVFWFLSA-N 441.561 1.009 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1740774240 PAVRVCWPEOQZQW-QGZVFWFLSA-N 426.587 1.109 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740783917 ZZDMHDUEIFIPET-UHFFFAOYSA-N 427.509 1.672 30 10 IDEE C=CCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949923 XVZCQHKBESJJEE-GCJKJVERSA-N 432.569 1.248 30 10 IDEE C=CCn1c(N2C[C@@H]3[C@H](C2)[C@H](NC(=O)OC(C)(C)C)CS3(=O)=O)nnc1C(C)(C)C 1740949976 CFCBDJHCWLLZMN-RBSFLKMASA-N 439.582 1.888 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 1740958186 KFGLTTIOUOACCK-INIZCTEOSA-N 434.541 1.531 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740962551 HFFKNFTZZJXGIM-KRWDZBQOSA-N 449.563 1.690 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1741002730 LPKMHHIXSDNTRM-DLBZAZTESA-N 441.623 1.767 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1CN1CC[C@@H](O)C1 1741634660 FMRCXHNAPOJUIV-FXAWDEMLSA-N 439.564 1.770 30 10 IDEE CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1747547518 DLBKBHUELSHILG-RBUKOAKNSA-N 446.515 1.957 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1748563969 ANPKTAXTLKRPKQ-VLIAUNLRSA-N 449.533 1.108 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC(=O)N(C)C)c1 1748694678 LADQBBNPFNSACD-UHFFFAOYSA-N 445.527 1.798 30 10 IDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1748747356 GSNNZSAZCMEMNZ-MRXNPFEDSA-N 433.516 1.790 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1748757536 FYTWUNFZGJIASB-JOCHJYFZSA-N 433.560 1.785 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cncn2)CC1 1749003393 IBMDZBQOZLGEFN-UHFFFAOYSA-N 449.475 1.111 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749450739 RJILDTGYZANBQZ-GOSISDBHSA-N 432.569 1.848 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COCC 1749487107 AQQQBZZFPDLLRD-LJQANCHMSA-N 449.577 1.818 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749721806 UMYDOKIBVIJYIV-QGZVFWFLSA-N 446.577 1.750 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC=CCO2)CCO1 1750386730 MIDOQDYXWIJEOO-ZWKOTPCHSA-N 442.907 1.935 30 10 IDEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1750527527 CXJLOPYONDDOKJ-ZIAGYGMSSA-N 425.459 1.994 30 10 IDEE CC(C)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1750610364 ZBUSDZYVDSJLCD-UZYVYHOESA-N 437.504 1.663 30 10 IDEE Cc1cnc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1751729644 BYQBGYHYWAEOGL-KWCYVHTRSA-N 439.567 1.186 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760189126 NVYXJSFXKQCFNL-GOSISDBHSA-N 433.578 1.573 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)N(C)C)CC1 1760255612 LSAMSKQXIAEFOX-UHFFFAOYSA-N 431.338 1.551 30 10 IDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1761630018 FZQJRZRFMDVJSZ-UHFFFAOYSA-N 431.547 1.896 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769295997 TVTAZGSXVFEFHX-NVXWUHKLSA-N 432.504 1.354 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)O 1770215602 MIHFBUYLWHJBJI-ROUUACIJSA-N 441.536 1.366 30 10 IDEE COc1cccc(C(=O)NCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1770302601 AKELMGSPAYWKEI-FQEVSTJZSA-N 447.499 1.431 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1770785874 IMWSCSJIYSEOFV-ZBFHGGJFSA-N 438.529 1.776 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCCCC1 1771295344 MUERVCMZQQMMFX-DJPFJPOOSA-N 434.516 1.847 30 10 IDEE CS(=O)(=O)CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1771353198 AOBICNWNDOFUOV-UHFFFAOYSA-N 441.517 1.769 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)CCO1 1771536833 CKFWRVIYAVSKNQ-ZIAGYGMSSA-N 449.313 1.007 30 10 IDEE CN(CC(=O)NCC#CCN1CCCCC1)c1nc2c(S(C)(=O)=O)cccc2s1 1850041707 GPTSKYLUKIIILO-UHFFFAOYSA-N 434.587 1.742 30 10 IDEE Cc1ccc(C(=O)O[C@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)cc1C#N 1851116667 HSNBOSXHUJZFIF-QFIPXVFZSA-N 437.496 1.831 30 10 IDEE COc1ncc(I)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 1851144243 HGAVESDAAUKPDF-UHFFFAOYSA-N 449.252 1.924 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4F)C3)CC2)n1 1851296438 GWMCIAZNQYCKTD-CYBMUJFWSA-N 428.855 1.842 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(CC#N)cc3)CC2)cc1 1852055752 ASONMHPWDBTYRP-UHFFFAOYSA-N 428.514 1.706 30 10 IDEE COCCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858976926 BXCSYDDCFWQLAQ-UHFFFAOYSA-N 444.513 1.555 30 10 IDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562453 DJFINQBCBFLEGL-UHFFFAOYSA-N 425.537 1.097 30 10 IDEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N(CCOC)CCOC)ncnc21 1873593021 BORHPEGCONTCOP-UHFFFAOYSA-N 432.569 1.788 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874273585 DXJINNKUYDOGTK-UWPAOYMWSA-N 445.505 1.760 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1889353033 NWALKPAIAPRDQK-OAQYLSRUSA-N 444.620 1.426 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1988463453 JHHWLKHZRIXIJQ-XHSDSOJGSA-N 425.526 1.780 30 10 IDEE Fc1ccc(CCN=C(NC[C@@H]2COCCO2)N2CCN(c3ccccn3)CC2)cc1 2087918322 YKOKOIYKEXOLRR-OAQYLSRUSA-N 427.524 1.946 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247908203 PEWXLRAOMASACP-CHWSQXEVSA-N 439.343 1.152 30 10 IDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2248401064 FFYPONXRWWNQQA-CQSZACIVSA-N 440.371 1.891 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2248419754 HCTONJICTCQKCX-UHFFFAOYSA-N 439.347 1.344 30 10 IDEE Cc1ccnc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255633379 ACVSXPCADRJFKP-AWEZNQCLSA-N 433.314 1.970 30 10 IDEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255639513 GBQXKOPYOUFNBJ-UHFFFAOYSA-N 432.330 1.953 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c1 2255873370 KHVYBWGVIWYKBY-KRWDZBQOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256601062 NYGZNHZJGCFLAN-CYBMUJFWSA-N 434.302 1.088 30 10 IDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256624222 LISVYDMXRLWXJU-CQSZACIVSA-N 437.302 1.791 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2259112770 PNHLOQBYTIQHJI-UHFFFAOYSA-N 436.314 1.633 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@@H]1NC(=O)C(F)(F)F 2267271819 URPPMXNDUXXWGZ-OCCSQVGLSA-N 443.275 1.853 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267272478 ZLUGZQMBTSOPBK-BFHYXJOUSA-N 447.345 1.100 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2267504638 VOKZEICVPNUZHU-HUUCEWRRSA-N 446.357 1.658 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267535921 DMKGDSIOOSEZTN-VNQPRFMTSA-N 444.341 1.761 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)OC(C)(C)C 2267543032 AVDJEUBAGCCZJG-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE C=CCC1(CN)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2287708258 ZHSHYGMPTNYUJF-HXUWFJFHSA-N 437.537 1.958 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(NN=CC=Cc4ccccc4)n3)n2C)n(C)c1=O 2313800455 FKTYCAVALTYILV-UHFFFAOYSA-N 437.489 1.351 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1CNC(=O)OC(C)(C)C 2337196252 IYXFHOXYNYDGHJ-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2[C@@H]1CCCN2C(=O)OC(C)(C)C 2337206260 KYNHWQIRBGYBMN-KFWWJZLASA-N 446.357 1.847 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2F)[C@@H](C#N)C(=O)N3)CC1 72444618 DQYJFXGZPFXQGA-GDBMZVCRSA-N 439.447 1.912 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nccn(C)c3=O)CC2)n(C2CCCC2)c1C 467179304 FZUKVWREBNCJMI-UHFFFAOYSA-N 437.548 1.946 30 10 IDEE CS[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCCC1 483388997 APYDGMFSIAUCOS-IPMKNSEASA-N 441.557 1.801 30 10 IDEE CO[C@@H]1CC[C@H]2OCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@H]2C1 535104713 BYSMJBOXBFNVPO-HLAWJBBLSA-N 447.557 1.754 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 535136241 AIIKEGXXIVQPGJ-INIZCTEOSA-N 431.464 1.172 30 10 IDEE N#Cc1cccc(C2(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3O)CC2)c1 537767812 YYEHYQVTXQUIDF-UHFFFAOYSA-N 427.482 1.955 30 10 IDEE COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 544831994 PFPNDAYSDMBMEE-UHFFFAOYSA-N 441.444 1.858 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccccc2)CCO1 549544774 QFDPOISLYASXBK-HXUWFJFHSA-N 432.484 1.728 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 549690479 SESBQLWXBSXIPV-INIZCTEOSA-N 436.607 1.843 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(Cl)c1 553576784 OREKJBJETVVLTB-AWEZNQCLSA-N 425.919 1.953 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)[C@]2(O)COP(=O)(O)O 605694564 VDOLADXQHJJIQS-CZFMHFDVSA-N 440.429 1.675 30 10 IDEE in-vitro CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(C2CCN(C(=O)C(C)C)CC2)C1=O 726886809 AHYCBWIXCKGTDA-INIZCTEOSA-N 447.561 1.805 30 10 IDEE COc1cccc(-c2nsc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n2)c1 728251162 OCPAJSYJUJLJDB-UHFFFAOYSA-N 429.483 1.891 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(c2ccccc2)C1=O 733992610 MEPYSWLKWQAGMR-KRWDZBQOSA-N 426.498 1.427 30 10 IDEE COC(=O)[C@@H](Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 739990000 IYRHPLDGBRDKGN-FQEVSTJZSA-N 445.497 1.914 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCCOc2ccc(C#N)cc2)CC1 743579546 VAQBNVSXXAWHJV-UHFFFAOYSA-N 431.493 1.316 30 10 IDEE CN1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)c(F)c1 765310641 LSALRMICELVQOI-FXAWDEMLSA-N 448.495 1.955 30 10 IDEE COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 765517454 UEUPMZBPAGTPCG-IBGZPJMESA-N 426.517 1.567 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ncn(C)n2)C1=O 768420034 CAVDLJDRSVDGNN-OAHLLOKOSA-N 449.968 1.668 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 772882024 CWCHQRQBTZOENG-MRXNPFEDSA-N 431.518 1.066 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)n1 790104020 IABUMRMQMMLQJG-UHFFFAOYSA-N 447.455 1.207 30 10 IDEE CCOC(=O)C1(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCOCC1 795318030 STPOBKIPSZPUBB-OQKWZONESA-N 437.518 1.798 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(N3CCc4cc(F)ccc43)CC2)c1=O 800852527 BRJIRHGLYQLQTC-UHFFFAOYSA-N 441.507 1.167 30 10 IDEE N#CCN1CCC(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 805034786 SUIXVBOYYSJOJW-UHFFFAOYSA-N 425.454 1.494 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812130373 RDDLXZRBPISIEQ-UFYCRDLUSA-N 444.557 1.796 30 10 IDEE COCCn1c([C@H]2COCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 812131145 QMFLJMYTBPSKHT-HXUWFJFHSA-N 426.521 1.596 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 812178360 DUYIFKYITUYTJZ-HZPDHXFCSA-N 436.557 1.981 30 10 IDEE C#C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)c1ccc(F)cc1 812886762 FOSUVGAPDJPZAF-FQEVSTJZSA-N 444.532 1.936 30 10 IDEE C#C[C@H](NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(F)cc1 812937400 ZLKBGQRUCQKIKA-SFHVURJKSA-N 426.473 1.976 30 10 IDEE Cc1cc(=O)c(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)c2n1CCC2 813341949 UOQKXOQVYXWBCW-UHFFFAOYSA-N 439.497 1.824 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1 814848166 OWRRFRIBBYSUOP-UHFFFAOYSA-N 440.411 1.854 30 10 IDEE C[C@H](C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C)n1cnc(C#N)n1 1130700835 INFOYXDYXROOTR-NQBHXWOUSA-N 444.414 1.091 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)C1=O 1133976217 BDKVAIIQHGCZEG-GFCCVEGCSA-N 436.266 1.270 30 10 IDEE CC(C)CNC(=O)C1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 1137211920 DJEBNMTXOVJCLP-UHFFFAOYSA-N 434.562 1.707 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 1140248921 UXIYRAQAJQEJCI-MOPGFXCFSA-N 448.541 1.993 30 10 IDEE N#Cc1cn(CCC(=O)Nc2ccc(I)cc2F)c(=O)nc1O 1146499270 LLLUEUMCTNLCNM-UHFFFAOYSA-N 428.161 1.593 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cccc(F)c3)C(=O)C2)s1 1153717229 XSTFAWYYDCZCDU-UHFFFAOYSA-N 437.518 1.769 30 10 IDEE N#Cc1cc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)ccn1 1156656758 XGUMPLYAVARACG-UHFFFAOYSA-N 430.394 1.943 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2c(COC)nnc2C1 1165440204 KSCCPEZRWHZTSI-HNNXBMFYSA-N 446.533 1.064 30 10 IDEE N#C[C@H](C(=O)CO[C@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 1252577753 GNPATCNSRYFVFC-FUHWJXTLSA-N 435.502 1.314 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(C#N)nc1 1264131531 BCUWNKFLHBZJHR-UHFFFAOYSA-N 430.486 1.554 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1286282879 OYXSRKKFNFCLMQ-NQIIRXRSSA-N 449.563 1.736 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1286299132 SLIDYHHQXFWSTL-GJZGRUSLSA-N 442.545 1.582 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)NCCC)c1 1286311099 JTZXHGKSUGPDTH-SFHVURJKSA-N 438.532 1.755 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1286401500 RFODNCYUTHVVBA-NRFANRHFSA-N 434.562 1.216 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1286436394 GWJLVQCSCHEAJG-JOCHJYFZSA-N 427.505 1.909 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286466400 GIQAKMBHXBKQAE-FGZHOGPDSA-N 439.560 1.483 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CCC2)CC1 1286495163 XSSISNNFQGYAQK-UHFFFAOYSA-N 449.621 1.800 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CC)CC1 1286663015 DOXPCGFAOQHGKC-LPHOPBHVSA-N 427.571 1.174 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC2(CCOCC2)C1 1286780847 JHATVOQDQNGAHP-UHFFFAOYSA-N 432.569 1.896 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1286784574 MEGQONKJORYQTR-MRXNPFEDSA-N 433.516 1.853 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1286807059 IVGCFZOOGOUUOP-IEBWSBKVSA-N 431.562 1.870 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1I 1288996640 JLUQFFXVWYSJKU-CYBMUJFWSA-N 433.271 1.915 30 10 IDEE COc1cc(I)ccc1C(=O)N(CCC#N)CCN1CCOCC1 1292292495 DFRBVXOOSPQUJM-UHFFFAOYSA-N 443.285 1.988 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCC2)C1 1300363805 GNXRKGXWNHKBQQ-QGZVFWFLSA-N 437.566 1.174 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCN(C)C1 1300657820 SGUFFECEJJYCBV-JOCHJYFZSA-N 429.521 1.115 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300709976 NGYCTSJYEBHNRS-KRWDZBQOSA-N 447.536 1.186 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300857016 PKNJDIORDKWPEW-SFHVURJKSA-N 434.342 1.765 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1300876098 RPIBMKJBBMJQFJ-XHSDSOJGSA-N 427.571 1.485 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1300997007 MUEKSMQDVUAYMV-UHFFFAOYSA-N 430.553 1.094 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301489917 GSRLDOLPOCGMOX-INIZCTEOSA-N 428.537 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(F)(F)C1 1301497338 SWSSRYNTWORCOM-UHFFFAOYSA-N 429.431 1.340 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccs1 1301500576 NOXBNEVJSOQKQP-GJZGRUSLSA-N 435.575 1.885 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301509023 ZKYTUPYXRYJEPA-CVEARBPZSA-N 429.550 1.183 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301557982 SCORDUYWTXZZRN-KZNAEPCWSA-N 439.582 1.377 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1301578303 WRWOJVJPYIJFBO-OAHLLOKOSA-N 433.534 1.256 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)CC1 1310264388 YQAUWASGVBGQHF-UHFFFAOYSA-N 426.565 1.116 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1316327858 AMVLTXBYHYVQOC-IBGZPJMESA-N 436.472 1.863 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1358986248 REUJBUKRHKNVFN-QFIPXVFZSA-N 448.589 1.749 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1359014065 VXUWHVISEUETMX-OAQYLSRUSA-N 432.546 1.483 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359027068 UUWZGBZVOOVTDX-MRXNPFEDSA-N 435.525 1.509 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1359033071 OCTQBTNEWORJMW-UHFFFAOYSA-N 446.577 1.037 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2nc(C)no2)CC1 1359048017 BUEFVNSEJMTIOW-UHFFFAOYSA-N 429.550 1.956 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359051035 KGEBFWISKHZAHL-SFHVURJKSA-N 444.517 1.561 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CN(C)C)CC1 1359165418 OKNTWMWPHXTLGY-KRWDZBQOSA-N 440.614 1.355 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359183509 MSLHAOKFQHPINB-MJBXVCDLSA-N 427.527 1.605 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(OCC2CC2)CC1 1359331441 ZFNWHDRUZOIDGM-UHFFFAOYSA-N 432.550 1.731 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1360367729 KRBBVFWPQKYOHE-OSCRUYLVSA-N 432.525 1.558 30 10 IDEE CC(C)N(CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1360683684 GEESWNOQJRJNAK-LPHOPBHVSA-N 443.593 1.839 30 10 IDEE C=CC[C@]1(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1456437793 ZUWZLYQXDVZPAX-IVZQSRNASA-N 447.536 1.527 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cc4cccnc34)C2)c(=O)nc1O 1457200928 OGZFOBDDOXEANH-UHFFFAOYSA-N 426.230 1.828 30 10 IDEE C#Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1464592034 UDKWQRAVPLADAT-UHFFFAOYSA-N 426.494 1.976 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(-c2ccccc2)c1 1504998448 JFFYAHFXRGPRCG-FXAWDEMLSA-N 437.504 1.965 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1505019807 YZLFDWGDGDWDGJ-FQEVSTJZSA-N 441.532 1.990 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1c(OC)cc(OC)cc1OC 1507621008 NKQCNOWTDSIOIQ-UHFFFAOYSA-N 427.505 1.738 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507627731 FUJHMWBTKOSEQG-AWEZNQCLSA-N 446.533 1.919 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507630892 JKLZIQFRDWLDOC-GFCCVEGCSA-N 446.480 1.615 30 10 IDEE C#CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507759022 XVLCZAPHPWFDTC-NRFANRHFSA-N 435.594 1.648 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C 1507844968 UHPHKRLKHRCODH-BBWFWOEESA-N 427.571 1.438 30 10 IDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507950851 IUKFYDODRDENRC-UHFFFAOYSA-N 439.564 1.211 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507958038 ZFYVIRDRSHJRHF-UHFFFAOYSA-N 439.582 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508088322 GAVKPMPQXLMCCI-RTBURBONSA-N 443.552 1.193 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(C)(=O)=O)C1 1508113018 ULDYFTQENCBQAZ-INIZCTEOSA-N 434.518 1.542 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)C1 1508122227 CVUIXACYCOUCMU-KBPBESRZSA-N 438.579 1.424 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1508135828 MPMNXBBYGMKWIY-QGZVFWFLSA-N 438.513 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1508139230 DYAQXUKIXSVGTP-UHFFFAOYSA-N 441.517 1.071 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1508144418 QOXOEOOCFHZCIE-HNNXBMFYSA-N 445.467 1.632 30 10 IDEE CC(C)CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1509340152 XENPIZMMDXCZFL-OALUTQOASA-N 429.569 1.859 30 10 IDEE CS(=O)(=O)[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1C(F)(F)F 1528579311 LNXQCVVBGFZGCM-XJKCOSOUSA-N 433.427 1.958 30 10 IDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nn1 1529265245 SZTLGSLPNVIYHB-UHFFFAOYSA-N 449.533 1.198 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 1535781379 QDQJWBSEGWJFNR-UHFFFAOYSA-N 425.482 1.722 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1539058107 ABMFQCDVVJUCJV-LJQANCHMSA-N 439.516 1.861 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1539202350 HFDFRTOZXDMNHW-LLGFUMIMSA-N 436.578 1.540 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1539226521 ZQDDPOANISFCIT-GOSISDBHSA-N 431.587 1.810 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)[C@H](C)CC)CC1 1539435796 AYEKMOKQBCNJSG-JPYJTQIMSA-N 449.563 1.473 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N[C@H](C)CC)s1 1539555599 WIEDUHCJMWIENP-OCCSQVGLSA-N 431.605 1.571 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 1540001407 NDNFUWSBBSKKLS-QGZVFWFLSA-N 427.505 1.182 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540036692 RSAMRKYCAHTRGZ-GOSISDBHSA-N 426.521 1.732 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1540905853 WUEIFHVLOBQVMD-HNNXBMFYSA-N 448.611 1.032 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1540908880 QBOOZKBFADMKNN-LJQANCHMSA-N 444.623 1.863 30 10 IDEE C=CCSCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1540922731 WVGSKJLOWRHWDV-QAPCUYQASA-N 430.596 1.473 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1541053421 WSZWCICJLJZIJD-SFHVURJKSA-N 434.508 1.246 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1541117296 CPHMKCQGIHPKOR-AZUAARDMSA-N 438.580 1.802 30 10 IDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)COCCO1 1542015625 PWOOTISTNMVDDR-FXAWDEMLSA-N 431.518 1.246 30 10 IDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1543264232 KBAMRSCLYGRECR-CTNGQTDRSA-N 429.546 1.467 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCC[C@H](C)C1 1555663020 IKTBAHCDGVWUHJ-QKNQBKEWSA-N 445.612 1.911 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 1556835292 JDYWHPNQEGPDCG-ZWKOTPCHSA-N 425.595 1.959 30 10 IDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1557940561 ZAHWVBIEJYLGLL-KRWDZBQOSA-N 426.498 1.448 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c(S(N)(=O)=O)cc2C)s1 1558270249 QQGOGWKCTPSPEF-UHFFFAOYSA-N 443.572 1.658 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cn2cnc3ccccc32)c1 1558783659 JQXCPQWFKFSGGM-NRFANRHFSA-N 426.498 1.129 30 10 IDEE CN(CCc1cccc(C#N)c1)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 1560084477 SOBBQTVAERMWSP-UHFFFAOYSA-N 435.571 1.757 30 10 IDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1562762262 GRFNATOLVAELLA-UHFFFAOYSA-N 448.527 1.902 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1)c1cc[nH]n1 1570505729 QXYGEYIOXJBHJC-MJGOQNOKSA-N 425.489 1.426 30 10 IDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1587043769 HJZKZFGSMGHAHD-OAQYLSRUSA-N 436.530 1.680 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1587848177 YXRAJFWUJJSBLL-UHFFFAOYSA-N 448.549 1.279 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1588024353 ALVOLMWJRSXKLF-HNNXBMFYSA-N 449.602 1.715 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCN(C(C)=O)CC2)CC1 1588848951 RYSJJDQIMBJOHW-UHFFFAOYSA-N 449.603 1.097 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1589117047 STLPNUYZBMLTAT-QGZVFWFLSA-N 444.536 1.919 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1589151237 VLYVXJTYVGGMAH-TXPKVOOTSA-N 437.566 1.424 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1593741836 YRJVULWVEBZROT-HXUWFJFHSA-N 446.596 1.857 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1595134177 UOIQJTQLRJTTGH-INIZCTEOSA-N 445.524 1.689 30 10 IDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)n1 1595228807 JVNZOIRTXGBBII-UHFFFAOYSA-N 437.548 1.859 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595550591 GDAJVKGQHVDIQG-HNNXBMFYSA-N 428.468 1.077 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595577052 HRADROWHNRZRFT-KRWDZBQOSA-N 426.521 1.443 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1596168863 UTUIHSJORZKNEC-JOCHJYFZSA-N 448.520 1.603 30 10 IDEE C#CCOCCN(C)C(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1608104761 UAXHIQMQGRUNBP-UHFFFAOYSA-N 426.330 1.814 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)N(C)C 1613262199 WXDGBHGUMSLPIY-CYBMUJFWSA-N 433.538 1.218 30 10 IDEE CCOC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1616052560 YJRHLWYQDCVRHH-KRWDZBQOSA-N 438.536 1.638 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCOC1 1620032966 QFWADQCNUZXBCZ-DBBLALLESA-N 441.532 1.897 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1620041219 CGKNZDPLNYFMPW-NVXWUHKLSA-N 448.549 1.245 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CC(=O)NCC(F)F)cc1 1620350667 NUDAZQPWVBXJOR-FQEVSTJZSA-N 429.431 1.057 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)c1cc[nH]n1 1624453958 GYTXXTWLMLQXKD-UHFFFAOYSA-N 442.520 1.470 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O 1626200524 IVFJHRSZOZTWGY-CXMBCZLWSA-N 435.527 1.676 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)C2)C1 1626346380 UYFDJHCANZVNQX-WTQNDHMWSA-N 432.565 1.831 30 10 IDEE N#Cc1cn(CCC(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(=O)nc1O 1627471622 BKRWHVWEQMMWJR-UHFFFAOYSA-N 430.852 1.240 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C1=O 1634836962 GPBWPNQKCGTXKW-NUEKZKHPSA-N 448.520 1.504 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1635638472 QASLOORFUZYOKC-KRWDZBQOSA-N 429.525 1.662 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)CCS2(=O)=O 1638897914 POOMKGAITKMSCD-KQNFGGRRSA-N 449.529 1.132 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1643512720 LEBXOIXRKMSHLG-QGZVFWFLSA-N 440.949 1.250 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccccc2O)C(=O)OC)s1 1646070864 HKLOENDGCNSLBY-OAHLLOKOSA-N 438.527 1.361 30 10 IDEE CC(C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#N)c1 1647733176 GUJKQKBBZUGTAK-UHFFFAOYSA-N 426.542 1.916 30 10 IDEE CO[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@](C)(CO)C1 1654488233 BGJANQPLAGQWJY-HKARXFIJSA-N 430.549 1.828 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc(F)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1654812118 XESGVCSUQRUTQK-UHFFFAOYSA-N 449.460 1.398 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 1669081157 DDAVVXADITTXML-IYBDPMFKSA-N 433.509 1.328 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1 1677401518 FFZJYXGVWGBVAH-LPHOPBHVSA-N 430.505 1.214 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1CCOCC1 1684029957 JTMQRNUOGHWMEK-AWEZNQCLSA-N 431.967 1.846 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689846867 OGBHQWXJBNTYRH-JZXOWHBKSA-N 429.550 1.397 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689988050 HZRMGIQBIWCXHK-MRXNPFEDSA-N 445.520 1.351 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1690004783 GLAZOMNBYXXQBT-UHFFFAOYSA-N 443.309 1.283 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1690077003 GMJDNIRSWZGLNR-OAHLLOKOSA-N 439.488 1.727 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1690077080 IGKJLEVZRZSIIB-IBGZPJMESA-N 443.573 1.525 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccn1 1690236721 QHESIHNEQRZITJ-BQFCYCMXSA-N 434.566 1.901 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690328894 PPNZVKRXHKRFIA-FZKQIMNGSA-N 443.932 1.878 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1690622299 MIPMJMPKHOQLLN-QFBILLFUSA-N 443.639 1.256 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1698461819 ASIKHVUMNZLXEQ-DXNFXHBHSA-N 430.509 1.312 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1705563838 GPSIWNRDXASKJD-QGZVFWFLSA-N 432.546 1.743 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@]1(N2CCOCC2)CCSC1 1705584740 VRDCCDCNZDDXAH-QHCPKHFHSA-N 436.585 1.545 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1nnn(C)n1 1705622477 JFXNMWIGNKVLIM-UHFFFAOYSA-N 431.298 1.365 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N2CCC(C)CC2)CC1 1705652611 GXFRWAGWMMPKQQ-IBGZPJMESA-N 430.597 1.901 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1705767421 ALPUHIUIKJRYHC-SFHVURJKSA-N 445.545 1.868 30 10 IDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1705829444 QVYNIKVEOOFPSA-MRXNPFEDSA-N 435.488 1.513 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705896924 BYJUZQRTBHKDPR-SPLOXXLWSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1705906086 RODRMWSHEDTMMV-QGZVFWFLSA-N 439.545 1.989 30 10 IDEE CC(C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1706072659 GITHDGVPXJJPJJ-WMZOPIPTSA-N 443.552 1.958 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1710267688 AFPUIVCMPMOGDV-QUCCMNQESA-N 441.555 1.763 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1722462531 VLEHDGODWISOTA-KRWDZBQOSA-N 439.607 1.524 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1722510699 WTABMMZASIFGFW-BZSNNMDCSA-N 441.598 1.684 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722686496 CCNQAWCANLFIOS-AWEZNQCLSA-N 433.538 1.701 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722706592 UNOUQTWMVSOYMF-AOMKIAJQSA-N 445.495 1.683 30 10 IDEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722853676 VNRUVLLLIFSTNH-MRXNPFEDSA-N 448.535 1.187 30 10 IDEE CC(C)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1723029915 DYSYHWAABSQHDF-INIZCTEOSA-N 446.502 1.987 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726937703 QNWAOXWOCAXTES-AYAKEVCGSA-N 443.552 1.671 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1730474186 MQTSXKRZKCPLFQ-PGRDOPGGSA-N 440.504 1.107 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1N1CCOCC1 1740531779 SXEBTYZUCXNIPS-QGZVFWFLSA-N 439.564 1.934 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740586076 NZRFFSGLXMZCRM-GOSISDBHSA-N 444.561 1.384 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1740616870 ICXHQTVMQMZWTR-GHTZIAJQSA-N 438.594 1.992 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740622164 VWECIJUWCDWZFQ-LLGFUMIMSA-N 429.546 1.518 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1740627982 UUXZNMIWTHGGSA-HZPDHXFCSA-N 428.505 1.844 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1740705395 GBZCXUFTPXGUHQ-GOSISDBHSA-N 433.578 1.479 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCCC2=O)C1 1740710226 SNJRXDGCEYOKEQ-KRWDZBQOSA-N 432.594 1.764 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1740744912 ZYSQLBDPMJSGRT-AWEZNQCLSA-N 442.358 1.812 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740782531 UQUXOBSOXFHQFM-CQSZACIVSA-N 449.499 1.651 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740808992 GAZDJBMGFVVCEN-UHFFFAOYSA-N 430.944 1.622 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740989428 MQSYVOSKTVALIE-FVJLSDCUSA-N 447.561 1.714 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1[C@H]1C[C@H]1C 1741939650 AMKUKUQRQRNSGX-GJYPPUQNSA-N 443.577 1.663 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1743399415 XVOHVMFTYMVRNX-ULBOQEPZSA-N 445.549 1.086 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1747596957 PXVARPDOCWSJRN-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1748826692 YRGPTVDXMGLNBH-SFHVURJKSA-N 440.573 1.414 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(=O)NCC)CCC1 1748829412 BJOOEVHDOLOGFS-HSZRJFAPSA-N 427.549 1.698 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1748842725 UEYPUQXOWHIJIA-KRWDZBQOSA-N 431.500 1.387 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1748984109 MKIXNRGLERQEAY-XDOYNYLZSA-N 449.490 1.366 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCOCC1 1749118318 FJJDEDSZNHVOGM-SZMVWBNQSA-N 441.598 1.732 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)OC 1749326534 BJJZOCAEYOIUFJ-TZIWHRDSSA-N 440.548 1.637 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1749368880 SGXNOSCNVGQNKG-SJORKVTESA-N 441.598 1.686 30 10 IDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1749685823 LPIFZJAWYSHNKM-UHFFFAOYSA-N 435.550 1.509 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)[C@H](C)CC)C1 1749712702 LAUSTGQGOAZBDT-WOCWXWTJSA-N 426.583 1.759 30 10 IDEE COCCOC1(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1750028540 WKUCUESROGUZMR-GOSISDBHSA-N 442.520 1.590 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1750139309 MIAHQZUWUOTFLR-RBOXIYTFSA-N 434.394 1.123 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCS(=O)(=O)C1 1752728496 ITYBFKWXRIFCPK-KBPBESRZSA-N 430.534 1.761 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760185206 SBFGEVMJCKGGTJ-GOSISDBHSA-N 425.514 1.358 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760190837 UZZBFMJQBVDAKP-SFHVURJKSA-N 444.557 1.945 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1760202046 RBZPNOAJFPSJCO-OAQYLSRUSA-N 444.539 1.976 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1760202246 XLVAKBSFKUMESP-UHFFFAOYSA-N 426.484 1.241 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCOC2)C1 1760302183 VLOLHNXNKXMSMG-YOEHRIQHSA-N 431.331 1.906 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760308055 XGVMQHWGTMUAPL-BDJLRTHQSA-N 425.287 1.169 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760518050 HAVZKMHUFHKRSB-DOTOQJQBSA-N 445.955 1.453 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760518961 NFUSKQKKVHYBHN-NRFANRHFSA-N 425.493 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCSC[C@H]1C 1760553941 MNKLVZOLYWAQON-CYBMUJFWSA-N 439.563 1.548 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)n1 1761958953 GYIUTECJUWNKOU-MRXNPFEDSA-N 430.534 1.735 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C1 1766721696 DPUQOMLVPWPDFT-INIZCTEOSA-N 432.550 1.904 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1767385397 IVKFKIDBLQEHMT-OGLOHFSISA-N 432.525 1.549 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnc(C)s2)C[C@H]1O 1767920362 OHOFUONYOQCIKF-SJLPKXTDSA-N 438.513 1.990 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1COCCO1 1767932712 RDXSYFQHCWSOFJ-GOSISDBHSA-N 427.509 1.213 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1768634537 RPZKXHCVKQFMNY-IBGZPJMESA-N 438.532 1.962 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768659587 FSGXTURYUBKOPQ-NQIIRXRSSA-N 445.545 1.577 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1770163682 XZPLTEXQNXGVPF-HZPDHXFCSA-N 449.533 1.182 30 10 IDEE CCn1cc(C(=O)N(C)C(=S)N=CN(C)C)c(=O)c2cc(F)c(N3CCOCC3)cc21 1851773818 OIAKTZOUEPPQJL-UHFFFAOYSA-N 447.536 1.944 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C(=O)[C@H]1C 1854314308 WZNUGIHWNJAPFP-SJORKVTESA-N 435.546 1.341 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1=O 1856804351 VVJQZUHSJQCUHS-TZMCWYRMSA-N 444.893 1.231 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862594502 UUNVYHLOINSXSQ-IBGZPJMESA-N 426.425 1.821 30 10 IDEE CCOC(=O)CN(C)C(=O)[C@@H](CC)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868795945 PDXUDSAFKVWLSU-IAGOWNOFSA-N 434.562 1.941 30 10 IDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562402 BECWDROFTWQEEG-UHFFFAOYSA-N 426.521 1.164 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)CC1 1889694442 IGKPFYXTJPOZTC-UHFFFAOYSA-N 449.617 1.814 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1890229116 RBPKLJVCTSFSEA-UHFFFAOYSA-N 429.561 1.966 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 1892111451 WRGLJHYGROKREK-UHFFFAOYSA-N 432.527 1.705 30 10 IDEE N#Cc1cc(I)c(I)cc1[C@H](O)C(=O)O 2060281456 NHUGVFWFRJJDCA-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE C=CCN(CC(=C)Br)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2077115251 HETLSEISGZYDHS-CYBMUJFWSA-N 437.356 1.944 30 10 IDEE CC(C)OCCCN=C(NC[C@H]1COCCO1)N1CCN([C@H](C)c2ccccn2)CC1 2087917864 HRQZQJQDCFCNFB-RTWAWAEBSA-N 433.597 1.936 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124513564 CBVQLDODMMSNRT-GJZGRUSLSA-N 448.329 1.644 30 10 IDEE C=C(CS(=O)(=O)NC[C@@]1(NC(=O)OC(C)(C)C)CCOC1)B1OC(C)(C)C(C)(C)O1 2247902669 WZMRCDOCDFSGHE-IBGZPJMESA-N 446.375 1.777 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248441532 GMBGSEOWXXCDRC-CQSZACIVSA-N 440.371 1.939 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@@H]1OCc1ccccc1 2255622396 ZDEQFLSFGGAHJF-IRXDYDNUSA-N 426.326 1.934 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255649694 LLWGLEUGIUCCAD-DZGCQCFKSA-N 436.314 1.536 30 10 IDEE CON(CCNC(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C)C(=O)OC(C)(C)C 2255816491 GHBOJDYCHFUWHU-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255876622 DWGOUCUHVVIPLT-CVEARBPZSA-N 433.314 1.403 30 10 IDEE Cc1nc(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268714558 KYAPKPNHFHOYMX-OAQYLSRUSA-N 448.329 1.395 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303112998 XKNJJGSDRIKJSM-RNODOKPDSA-N 425.335 1.840 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2315532907 KJDDUFWEMBAKLW-UONOGXRCSA-N 432.330 1.553 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 2315538809 NTDMNRFMEPQQKD-CQSZACIVSA-N 434.346 1.849 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315685542 WXLHUJRKONTUAV-MNOVXSKESA-N 447.288 1.971 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2334269972 RWWYASRILVLLJV-FMKPAKJESA-N 446.357 1.705 30 10 IDEE C=CCNC(=O)Cc1cc(O)nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)n1 22628904 IKYHKZQBSDUEFC-UHFFFAOYSA-N 446.529 1.495 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)NCc2ccco2)n[nH]1 59888206 JYXLSRYZWSNROJ-RGVLZGJSSA-N 432.510 1.448 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccn1 102746395 WZOZDLNFHXZSTM-HQMFNGAOSA-N 425.489 1.566 30 10 IDEE CS(=O)(=O)CC[C@@H]1CCCCN1CC#CCN1CCCC[C@@H]1CCS(C)(=O)=O 428869950 DCTPNUVVIMYJLD-BGYRXZFFSA-N 432.652 1.568 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 460559117 YXDKBTQBDDVCTM-DOTOQJQBSA-N 425.555 1.192 30 10 IDEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NC[C@H]1CN(CC(C)C)CCO1 461425681 IFMVVNUGJLWFHM-HNNXBMFYSA-N 425.327 1.264 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@@H]1CCCO1 479399807 XTMGLTJANZYQOI-ZDUSSCGKSA-N 437.974 1.831 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3COCCN3CC(F)F)c(C#N)c2N)cc1 483629033 BWGMUMOGIYRTCE-GOSISDBHSA-N 432.475 1.649 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)cc1C#N 489822983 CVCFRIZDMYANEM-INIZCTEOSA-N 435.303 1.886 30 10 IDEE CC[C@H]1CCCCN1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 500859757 QPJKVWVCBZOXCA-IBGZPJMESA-N 433.578 1.839 30 10 IDEE CCCN(C(=O)CN1CCC(C)(C#N)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 506047439 LIZLSVFGYMLJPB-UHFFFAOYSA-N 438.532 1.948 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2nccn(C)c2=O)CC1 508823529 DYWWGXKJHHHUMN-UHFFFAOYSA-N 435.488 1.323 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543929994 CTYIKQJEVLMVPH-CQSZACIVSA-N 429.868 1.256 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)c(F)c3)n2C[C@H]2CCOC2)CC1 549662862 PGQJTDNZSCFMGI-GOSISDBHSA-N 442.539 1.853 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 566708497 UKHAIZNFLOKJLA-INIZCTEOSA-N 448.495 1.896 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 570554715 GDHJNAITRTYLTC-ZBFHGGJFSA-N 432.550 1.472 30 10 IDEE CN1C(=O)C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 578267820 BDCWYLAJGSACDQ-XLIONFOSSA-N 446.916 1.578 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 583804894 FSKWSEUKXOVAGG-QFBILLFUSA-N 449.577 1.873 30 10 IDEE CN(CCC#N)C(=O)C[S@@](=O)CC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 586354293 XTKZNBBPVPSFNI-LJAQVGFWSA-N 432.527 1.573 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(I)cc2)CC1 609842661 AGMDDGDLHQSJFF-UHFFFAOYSA-N 428.274 1.743 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 669804421 RLJSPEPFUAYNKR-MOPGFXCFSA-N 447.561 1.845 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 669804644 OHZGESKSISVYKF-JKSUJKDBSA-N 449.581 1.756 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416492 SASOYIVBWKXQMK-UHFFFAOYSA-N 437.477 1.291 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730144227 YWHAZXQTJGHOSW-GOSISDBHSA-N 433.578 1.439 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 732464946 ALGUGICHAREHKI-FMQUCBEESA-N 445.907 1.263 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 734291769 RATRTSKZJCAQCP-UHFFFAOYSA-N 436.375 1.980 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 741449303 MEFJMAXSDGDXLY-GOSISDBHSA-N 444.561 1.084 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1=O 742171599 PMIYOFVQAVDMRG-UYAOXDASSA-N 426.517 1.580 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772903665 ALWBITDXSNYBSZ-UHFFFAOYSA-N 446.598 1.383 30 10 IDEE C[C@H](NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 772981027 ASDOESVHWQDFDB-IWKHNONTSA-N 444.513 1.935 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H](O)Cc2cnn(C)c2)cc1 786802016 PSQDSCGQNSCHTK-KYLWWAFNSA-N 433.534 1.555 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)n1 788814561 QQIVZMRBOGQWHQ-UHFFFAOYSA-N 432.546 1.429 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1)c1cc[nH]n1 789976156 IFRQOYUUZSSCRA-HNNXBMFYSA-N 429.477 1.487 30 10 IDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 792658944 OHBZRTFKVGCQSB-OJLWIZQOSA-N 438.509 1.860 30 10 IDEE C[C@@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 799862165 PLTPTADBLMIGSV-BLLLJJGKSA-N 431.493 1.633 30 10 IDEE COc1cccc(C(=O)COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 811031245 YNURICSFPPMPJN-INIZCTEOSA-N 445.497 1.970 30 10 IDEE CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1ccc2c(c1)CCNCC2 814851702 ZDWHSUSIPCMAIS-UHFFFAOYSA-N 442.589 1.542 30 10 IDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134429048 MIDBTYDDDNNQNW-FTFYGEEPSA-N 429.542 1.383 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2=O)cc1Cl 1135842517 SWUBWYIQBDYKHJ-ZDUSSCGKSA-N 429.864 1.850 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 1136672174 DHSVGUSKMAAGEI-DHSYKJLNSA-N 434.246 1.173 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1156391836 DXDVWOVJOWSKOZ-SFHVURJKSA-N 448.394 1.934 30 10 IDEE Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157886060 YABYGEUGSIQLRU-LUQKVYGDSA-N 433.530 1.958 30 10 IDEE C=C[C@H](CO)NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1167654468 FQZNYPPXCRTAOH-PBFPGSCMSA-N 445.969 1.398 30 10 IDEE C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCC2(CC1)CC(=O)C=CO2 1198242695 SDPILOWDMGRQBE-LJQANCHMSA-N 427.545 1.861 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(C(N)=O)cc3OC(C)C)CC2)c1C#N 1219207487 BEKGIJYHIGFIHS-UHFFFAOYSA-N 425.493 1.840 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286324264 QDUZDPACQXRSKW-QGZVFWFLSA-N 436.582 1.331 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1286386851 IMCAOOMUYFFVEE-SFHVURJKSA-N 444.561 1.158 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389170 GTFZJUNYKBDJQU-NEWSRXKRSA-N 441.557 1.660 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1286447539 LEUSAGAFUBHXCP-GOSISDBHSA-N 425.489 1.532 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1286504156 IWKBAFVIYWWHTG-ZDUSSCGKSA-N 425.518 1.660 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286506260 RPPPYZUEYXXNDU-QFIPXVFZSA-N 425.558 1.960 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(CC)CC1 1286514516 INFLXQYRYBDJFC-WMZHIEFXSA-N 427.597 1.532 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(=O)(=O)NC 1286731117 ZVHKBPPBLIWWQF-UHFFFAOYSA-N 444.355 1.791 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)C1 1286800796 RASDLLVWJOHZLF-WBVHZDCISA-N 449.581 1.179 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)[C@H](C)C1 1286876246 JOPQEZYKNDZFKH-DNVCBOLYSA-N 435.532 1.788 30 10 IDEE COc1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc(OC)c1OCC(N)=O 1287727966 FUGOXPXUORQMRK-UHFFFAOYSA-N 439.468 1.875 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)C1=O 1288133538 DLPJRHHZTDYNEW-CABCVRRESA-N 434.493 1.211 30 10 IDEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1289798634 XUFNWYIZPAHQBZ-SFHVURJKSA-N 437.504 1.894 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nncn1-c1ccccc1 1292133188 GOBPHSDGZKYCCD-SFHVURJKSA-N 449.519 1.554 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1292525256 QWXGOHYQYAVEAF-HYHOCUEZSA-N 447.499 1.763 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2C[C@H](O)CN2c2ccncn2)CC1 1297320896 BJNDGAYFSYMWIM-IPMKNSEASA-N 426.908 1.479 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)COc1cccc(Br)c1C#N 1298091674 CSHTYMBPCOLMDT-NSHDSACASA-N 428.283 1.701 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H](O)C1 1300527299 DYAGZEMEKXFEPK-MSOLQXFVSA-N 440.573 1.862 30 10 IDEE COC1CCN(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1300787160 UPOHPPVEDWZVGC-PKOBYXMFSA-N 432.569 1.790 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301257656 CHNWLQBRPDVKBM-IXDOHACOSA-N 437.566 1.020 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1301475060 LBUNAUVJDRTMNR-GOSISDBHSA-N 448.568 1.273 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC)[C@@H](C)C1 1301492667 MPRVVRWKUXNKFH-INIZCTEOSA-N 426.521 1.549 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccc(Br)c(Br)c2)c(=O)nc1O 1302733430 HMVWBFDHVAVKPX-UHFFFAOYSA-N 428.040 1.984 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315094328 CUBCDMINKQHUCD-IGGDJGDASA-N 436.472 1.471 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CC1 1315742914 AEVFNKUUXHIWSH-UHFFFAOYSA-N 434.504 1.202 30 10 IDEE COCCCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1316034690 CQTCEVKWWPXMGX-OAHLLOKOSA-N 444.517 1.816 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1316198551 DCKXPXQRJKYMHZ-JOFJOYRISA-N 444.536 1.907 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2C)n(C[C@H]2CCCO2)c1=O 1319457445 PBTWAKMBHRSVPD-GOSISDBHSA-N 448.548 2.000 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1358938357 YWWAKYBPWJNGOA-SFHVURJKSA-N 444.605 1.992 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358959705 OBNBMGVSFHZNGI-OALUTQOASA-N 427.530 1.868 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358961355 XBMTYOHZDDSCNL-SFHVURJKSA-N 430.578 1.632 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1358978770 UFSBXWPANHZRME-GOSISDBHSA-N 438.553 1.993 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1 1359240521 QDFKDQUUNOUCCD-IRXDYDNUSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359297865 FMTIKPYQXQQHJO-OAHLLOKOSA-N 426.550 1.915 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)C 1360910502 IEEBHNCWEOJPMI-LJQANCHMSA-N 448.528 1.077 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCc4c(CC#N)cccc4C3)CC2)cn1C 1461961467 FSEUNWLVHSMTQH-UHFFFAOYSA-N 441.557 1.780 30 10 IDEE C#CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1467151507 YMPKXIJJXCCTSF-UHFFFAOYSA-N 425.441 1.932 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1CCN(O)C1=O 1468373566 DTMRIAQYHQSIHX-ROUUACIJSA-N 443.504 1.474 30 10 IDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1468476688 CRQXBFATEBGZNU-GFCCVEGCSA-N 428.297 1.591 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 1469769734 GUVIZLLQNCBPMP-QGZVFWFLSA-N 434.518 1.697 30 10 IDEE CCC1(CC)NC(=O)N(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1469886411 QZXXLUDHVLZOJG-UHFFFAOYSA-N 449.515 1.708 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)cc1 1471123588 RGGQTJBRAFOCLD-OALUTQOASA-N 440.525 1.243 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(OCc3ccccc3C)c2)CC1 1471451319 RELBKQULJSWKCZ-UHFFFAOYSA-N 441.553 1.728 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1501566429 FCCXQODVGPGZPZ-GOSISDBHSA-N 425.518 1.612 30 10 IDEE CCN1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1502324577 QWJNOPKWQGRMTQ-XOMICKMZSA-N 436.520 1.397 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1503407188 SOBGYVHYRPIQJB-UHFFFAOYSA-N 430.534 1.325 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1503416296 SEMLNJHORUZUJE-IRXDYDNUSA-N 442.545 1.355 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507567754 SJVWVOPYKNFMQY-LJQANCHMSA-N 435.576 1.857 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507572204 BQGQIYJIZWVMEH-UHFFFAOYSA-N 431.585 1.210 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCCC2)CC1 1507738963 JNLWWXILGDDKAI-LJQANCHMSA-N 445.589 1.646 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1508086941 PYQXBJBDONRIRF-ROUUACIJSA-N 426.496 1.558 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)CC)C1 1508128301 XGTOUJHJQYSJMG-KURKYZTESA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)CC[C@H]1C 1508144876 IWNRDIVREHPZEM-BZUAXINKSA-N 430.596 1.406 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1515123415 RAMBECRWXRZNBW-LJQANCHMSA-N 437.548 1.929 30 10 IDEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1517420460 DUVVOFBQYBFZAR-NRFANRHFSA-N 425.468 1.795 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1524477505 QQDLGEYALVZPGF-GBXCKJPGSA-N 441.528 1.791 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)ccc1F 1537003469 DOTYWKGUWCGVAF-UHFFFAOYSA-N 447.554 1.270 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](COC)OC)CC1 1539431249 SCWQMMLAWQBCEH-ZWKOTPCHSA-N 431.512 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2OCCC2(C)C)CC1 1539477403 LMKOBQXPFTXAKH-IAGOWNOFSA-N 428.537 1.010 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1539480573 CFBABNACZNTPDJ-FDDCHVKYSA-N 429.565 1.689 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539510006 CSDVIXXDAGNALW-UHFFFAOYSA-N 429.550 1.579 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540036693 RSAMRKYCAHTRGZ-SFHVURJKSA-N 426.521 1.732 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1540867836 JPDHTKZKMUFBAM-SFHVURJKSA-N 440.548 1.414 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(CC)n2)C1 1540884003 ISCKHYZOMPMVQY-HIFRSBDPSA-N 440.595 1.737 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1540884451 PJNCBIVKGDLQQW-PSHVLCQKSA-N 436.553 1.640 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1540914875 DZDDICBCXUTDHW-CVEARBPZSA-N 429.612 1.957 30 10 IDEE C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1541859714 GIZAWTHYSUKHPG-SFHVURJKSA-N 431.548 1.807 30 10 IDEE N#C[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)c1ccc(OC(F)(F)F)cc1 1545142550 RGDDQBTXXMHTOR-OAHLLOKOSA-N 429.376 1.992 30 10 IDEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F 1554617411 RUSYHTLKXXRHAD-CVEARBPZSA-N 449.437 1.998 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)F)CCN1C1CC1 1555994250 GRTZHLDYJIEZCR-OAHLLOKOSA-N 435.504 1.488 30 10 IDEE C#CCN(CC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1)C(=O)OC(C)(C)C 1585210389 ACRSKSGSZJQINP-UHFFFAOYSA-N 434.581 1.697 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1587561118 BDHFEXDGDNBTMD-RYUDHWBXSA-N 430.456 1.808 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1587773554 NMQYLGNEXIONLH-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1588050241 PSGLWGYJGARYKN-KRWDZBQOSA-N 446.577 1.011 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1588055035 RRWSDAGAKAOOGD-SJLPKXTDSA-N 435.594 1.725 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1588083421 GXQHUZQHSSZRJR-VQIMIIECSA-N 446.552 1.403 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1588559827 KPZNWGBGNSFANZ-UHFFFAOYSA-N 425.493 1.002 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1588968027 FMXVPPQHHLQEND-UHFFFAOYSA-N 432.594 1.182 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1588993803 NKYRMNJOBFNQQT-HNNXBMFYSA-N 429.546 1.996 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1589060230 PBYLODSAOMYSDN-GOSISDBHSA-N 432.594 1.144 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589567675 FYWCRAWWGTWYLX-NSHGMRRFSA-N 448.593 1.744 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1595085190 QZCXFOYEBATXQZ-UHFFFAOYSA-N 436.520 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1595805452 PJLQPGVGJRQDGQ-KRWDZBQOSA-N 435.525 1.324 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1595838031 IZDYXRQQVPYLRC-FQEVSTJZSA-N 429.550 1.807 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccn3nnnc23)cc1 1596924485 BLFDIGOIQIGXIJ-XLNRJJMWSA-N 427.490 1.970 30 10 IDEE CC(C)COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1607714279 HIYAUHJXIBZAIT-LJQANCHMSA-N 429.569 1.753 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)CC1 1617909816 DFJHADQIOOJOEU-XUVXKRRUSA-N 434.537 1.186 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O 1620300139 VWWGPJQXPAKSLJ-AYBZRNKSSA-N 429.546 1.849 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OCC 1624304687 YLPICHSRLFCNCS-VQHPVUNQSA-N 428.551 1.110 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C 1626597440 GVLXLIONTFQQRF-OAHLLOKOSA-N 438.550 1.940 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CCN(C)CC1 1626637773 UTWOASRHYYEZEY-UHFFFAOYSA-N 433.574 1.652 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cc1 1627214974 SYUXNJRBYWIXIO-UHFFFAOYSA-N 427.530 1.306 30 10 IDEE O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCCN/C(O)=C1/N=CC=CC1=O 1628386268 SBXHDJNEJBDFAC-MHMQGTJDSA-N 433.262 1.518 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1632830748 PQDGVWWHUMCJGW-UHFFFAOYSA-N 443.554 1.787 30 10 IDEE C=C(C)CONC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1640652812 MYUBUQCDDWEMSZ-CQSZACIVSA-N 433.324 1.606 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)ccc1F 1645184072 WQXAISJOQZTXPJ-CHWWFWEZSA-N 440.493 1.521 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2)nc1 1646095886 NVFWGMGKXXMDRX-IBGZPJMESA-N 435.484 1.740 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CCO2)cc1 1652920302 YLFRNAZQKUUHTG-OALUTQOASA-N 440.887 1.786 30 10 IDEE CC[C@@H](CC#N)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1653822781 HLFLEWBURUCRDD-KRWDZBQOSA-N 449.577 1.528 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1662479670 FOEQLKOUGSQEDR-DLBZAZTESA-N 434.484 1.713 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)CC1 1670069739 QPMMVJOEBCECPC-UHFFFAOYSA-N 444.561 1.672 30 10 IDEE C#CCOc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1670331618 MYLRHXZNTVUWBI-SJORKVTESA-N 449.529 1.949 30 10 IDEE Cn1ccc([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccc(Cl)cc2)n1 1671440121 RNWVISBVFOVJJH-YJLNNSPDSA-N 433.921 1.743 30 10 IDEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1673502435 APBFLWLAGOYJJB-UHFFFAOYSA-N 428.518 1.283 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1685128359 OVUNINIETGZUQE-NRFANRHFSA-N 425.526 1.999 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)C(C)(C)C 1689840161 TXSNRQOSBDPTSU-DHMKHTPVSA-N 426.550 1.926 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1689982280 KIPVTCUATUWUCZ-WIYYLYMNSA-N 448.545 1.587 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1689999859 JXBNGXZZXAQWLY-QFIPXVFZSA-N 440.935 1.001 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690025422 QCZVRNCENSZVQP-JOCHJYFZSA-N 446.555 1.088 30 10 IDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CC(OCC)C1 1690080142 ICKPRJSWQKJFSR-UHFFFAOYSA-N 438.576 1.993 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnccc2OC)CC1 1690110412 LKSFRNGNSHTCNR-UHFFFAOYSA-N 425.537 1.404 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690308436 NUQRZAJVAMPOFC-OAQYLSRUSA-N 426.525 1.757 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1690642361 KZVOSKRDOUQIFR-SQNIBIBYSA-N 429.569 1.232 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690674277 VMWGFPOTNHXOHI-DLBZAZTESA-N 432.550 1.320 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCS(=O)(=O)CC2)C1 1690710348 RAXJDMYTJDIOKK-KRWDZBQOSA-N 437.566 1.007 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690970800 KBIZWGMDAFLODV-HDICACEKSA-N 439.564 1.888 30 10 IDEE CC(C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691891548 DEVLICXICSBGNO-YZGLPLCXSA-N 428.415 1.695 30 10 IDEE CC(C)OCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1692606075 JEVDUDRRCJAYEI-GOSISDBHSA-N 438.536 1.917 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cs1 1693350495 BOVXEUXNRLBPOO-SFHVURJKSA-N 429.485 1.229 30 10 IDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1694409543 ARANSTXLWHBUFC-LJQANCHMSA-N 426.521 1.709 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@](C)=O)CCC1 1694737808 GFVYKGMGTAZWGW-JGVYIQDASA-N 428.566 1.518 30 10 IDEE CCN(CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1695656591 QWWLXWYVMMWIET-SJORKVTESA-N 446.577 1.861 30 10 IDEE COC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697092262 GEDPSUBBACYJBP-IAGOWNOFSA-N 440.552 1.974 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705510210 OJVIKPRIKRJVDF-HOTGVXAUSA-N 436.582 1.187 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1705524504 MSFWIBLLFQBFBB-MRXNPFEDSA-N 442.549 1.519 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1705580124 DMSAVGFOOAKOFN-UHFFFAOYSA-N 431.500 1.829 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1705612273 DEUOYMZDOCUWMY-HNNXBMFYSA-N 438.579 1.160 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ncccc2N(C)C)CC1 1705647737 JDKOYNYFQRKRTD-SFHVURJKSA-N 437.548 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)c2nccs2)CC1 1705649338 UAPLJDHAODTWRS-OAHLLOKOSA-N 438.561 1.905 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705744485 FLOVNUVZTRYVMJ-HNNXBMFYSA-N 435.960 1.056 30 10 IDEE C=CCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705823458 MCCBCXWMOCNZAR-FGZHOGPDSA-N 446.552 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705895456 HNUIYKKGLWUHAW-GOEBONIOSA-N 446.458 1.564 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1705904790 YWKPVNWARJLVBO-AWEZNQCLSA-N 432.475 1.412 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)C1 1705926022 XGLSAXZPACCBMW-LSDHHAIUSA-N 449.524 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCSC(CC)(CC)C1 1705934676 URACAYFKAIDNSL-OAHLLOKOSA-N 441.623 1.942 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1710456757 FZBKLLAEMPLEKK-AYOQOUSVSA-N 441.529 1.339 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1711960260 BCVROYCCEUYXIL-HNNXBMFYSA-N 434.522 1.010 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1722275408 DMQQDVYAXMJYGA-ULQDDVLXSA-N 434.566 1.776 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1722324289 ONJJBBQGWSJCQI-VQIMIIECSA-N 447.561 1.888 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1722380386 LGUWMWUGBARIMP-UHFFFAOYSA-N 426.484 1.714 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2nncn2C)CC1 1722435875 QJRIZIXCUCUASB-UHFFFAOYSA-N 436.520 1.284 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)COC)CC1 1722441807 UXTZRZOSXHVRJY-INIZCTEOSA-N 439.520 1.174 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1722517312 JHYDUWUPXBQXHD-IRXDYDNUSA-N 439.582 1.078 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722696122 BNJPVCAPVHGIKY-SFHVURJKSA-N 441.555 1.603 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F 1722728344 QIRQIAQJJDOBNY-GFCCVEGCSA-N 444.501 1.170 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722739273 CNVPDZGIOGELAJ-MRXNPFEDSA-N 425.518 1.683 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1726814609 OULGAPBVBUTVTD-GCJKJVERSA-N 425.537 1.926 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1727482275 FIFJQWGHCPYWJD-QGZVFWFLSA-N 448.531 1.871 30 10 IDEE CC[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1727769244 SZRLLHANMZQXIL-SGRLSNSRSA-N 438.536 1.902 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1731012136 QHYRCFFJMIHVAQ-UHFFFAOYSA-N 446.558 1.915 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1740656748 MHBYZHOTDDAFGJ-SQNIBIBYSA-N 437.541 1.212 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740757667 QTDASXZATFGICP-JZXOWHBKSA-N 427.509 1.993 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1740843236 BUFJDONQEQNUIB-CABCVRRESA-N 436.586 1.961 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1COCCO1 1740939536 YEXLVNXBTCATHY-KRWDZBQOSA-N 436.534 1.403 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1740941213 FJQJZEVCDFLFTG-HZPDHXFCSA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740963540 NZJJUMNEYGBXNC-HSZRJFAPSA-N 440.548 1.739 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740979739 KYAZEICANFFNSE-IRXDYDNUSA-N 440.566 1.241 30 10 IDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1742641713 FUKRZTHJHNCRSF-GOSISDBHSA-N 437.529 1.781 30 10 IDEE Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742785664 VOENAAINNKKZAW-LSDHQDQOSA-N 449.515 1.968 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1 1744751247 NCTYXZJYKNJATP-QUCCMNQESA-N 438.532 1.975 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1746510771 DLVINLHTLMYIIX-UHFFFAOYSA-N 425.537 1.236 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1748673014 YGQUEOAVQPFBNX-WMZOPIPTSA-N 429.546 1.377 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748814840 KAYLCEHNDXYGPH-QGZVFWFLSA-N 444.561 1.047 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1748823988 GRGYVSHUBAWARQ-QGZVFWFLSA-N 428.537 1.842 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748948524 PZHJBQVQYFOQBT-UHFFFAOYSA-N 446.552 1.467 30 10 IDEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(=O)NC)C1 1749047016 MQNOVBZNCOQACI-IBGZPJMESA-N 443.573 1.737 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)COC)CC1 1749114721 GHIPJTJVSDJZCZ-APWZRJJASA-N 448.568 1.129 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749732130 QGDPIGFVWVNHSF-CQSZACIVSA-N 435.554 1.331 30 10 IDEE CC(C)OCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1750075904 JPJKCZQBLAXGAY-HOTGVXAUSA-N 428.559 1.022 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1760097885 LIJBCLFXCCZFCH-HUUCEWRRSA-N 442.545 1.951 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1760099838 MQYZOOSZANDZFU-UZUQRXQVSA-N 425.533 1.990 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760144072 CBAZULXQUIYLTR-UHFFFAOYSA-N 426.481 1.460 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1760173350 RVYRGUNLDJQZES-UHFFFAOYSA-N 431.562 1.529 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1760184206 GVCVNQQSAAZVRF-UTKZUKDTSA-N 427.530 1.050 30 10 IDEE C#CCN(c1nnc(CC)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760188079 ZZNWPVUMSMKEOV-KRWDZBQOSA-N 432.546 1.945 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCOCC1 1760196483 IJAQXZRBTAHSEU-UHFFFAOYSA-N 437.500 1.317 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1760198826 JTLHEVXINUSVKG-FPOVZHCZSA-N 428.500 1.975 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760273731 ARECJDCMZQZACD-HZSPNIEDSA-N 435.566 1.982 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1760322818 XXLSESJMQNNTNN-YRXWBPOGSA-N 437.610 1.692 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1760523367 VUTKRWOGDVLJOS-UHFFFAOYSA-N 440.458 1.642 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3ccnc32)C1 1760534915 IURUXDJDSAPTNY-BRWVUGGUSA-N 449.581 1.444 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)C1 1760593415 VDJNYYAPIPRVGA-HOCLYGCPSA-N 427.509 1.860 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1760692575 BNLPEBXVBUWEML-HZPDHXFCSA-N 442.611 1.147 30 10 IDEE CCO[C@@]1(c2nnc(N3CCCCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1767463951 NNMFJSJLQBUGNI-OEAGWNGGSA-N 444.536 1.837 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768446874 HJJXYYRROVTPLR-GOSISDBHSA-N 438.536 1.591 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1770133145 WGDHJQLAQHPXPU-AVRDEDQJSA-N 427.505 1.457 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1771109555 VRJFLHUECWOTAN-XSLAGTTESA-N 440.548 1.749 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCCO[C@H]2CCOC2)CCO1 1771539117 NXPQQMZOGVYOBV-VQTJNVASSA-N 427.505 1.824 30 10 IDEE CCN(CC)CC#CCNC(=O)C1CN(c2nc3ccc(S(C)(=O)=O)cc3s2)C1 1850087535 DTXFJNMPSXAOPH-UHFFFAOYSA-N 434.587 1.597 30 10 IDEE COc1ccc(-c2cnc3c(C#N)cnn3c2NC(=O)CCC(=O)N2CCN(C)CC2)cc1 1851125142 BOMPUYGIBPCYCD-UHFFFAOYSA-N 447.499 1.769 30 10 IDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCN(CC(F)(F)F)CC3)ccc21 1856587863 RHFOXBUMWKFLET-UHFFFAOYSA-N 444.435 1.275 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1CCNC(C)=O 1870504680 OIWVPJDUCDVOED-UHFFFAOYSA-N 445.545 1.632 30 10 IDEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1889980835 CFPOAKOVZCCCNA-QGZVFWFLSA-N 435.415 1.940 30 10 IDEE C[C@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255542247 OWCWSHUGQFMOJT-ZDUSSCGKSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255595008 GNQKINWEARUJDB-LRTDBIEQSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255620162 WXCREYLYNZVXHA-NJDVURJYSA-N 438.309 1.834 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2255629268 SWJAMSPXIOWIGO-ZWKOTPCHSA-N 427.310 1.813 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255652319 SHICFGUETLXFDT-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255881297 ULYDEFKYBDFTEG-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2266995326 GXGJIXYJMCCKII-HNNXBMFYSA-N 442.325 1.966 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267561162 MAQXFRMBPWGYIV-OAQYLSRUSA-N 449.313 1.508 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2267597175 OSDBXGHAVXRCLC-ZIAGYGMSSA-N 449.361 1.584 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271396273 VYIWFPLIERLFDK-UONOGXRCSA-N 449.361 1.632 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271396519 YIBIOKOTQQFCBU-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE C[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282842909 FJEQIDZTCCRCQM-REFGNXHDSA-N 439.817 1.842 30 10 IDEE COc1ccc(S(=O)(=O)N=C2NC(=O)C(=C3C(=O)N(C)c4ccccc43)S2)cc1 2297305828 XKUFJLBSSJCZCH-UHFFFAOYSA-N 429.479 1.991 30 10 IDEE C#CCNC(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 18957621 CTJCIZWFRBOCQW-UHFFFAOYSA-N 438.864 1.864 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 29716334 UYQFCDSEASTWGQ-UHFFFAOYSA-N 442.541 1.641 30 10 IDEE COc1ccc(OC)c(/N=c2/c(=C3/C=C(Br)C=CC3=O)[nH]c3n2C=CNC=3)c1 199048354 WZRPTUZMKKMENN-WZSMSDFDSA-N 441.285 1.404 30 10 IDEE CCCCCCCCNC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 248294878 WIWJCKQOAWDOQO-VAVNGKDRSA-N 442.553 1.976 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccc(O)cc2)C1 256033325 OQDWPLYVFWQKBP-FVQBIDKESA-N 437.456 1.891 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1 433603363 IORMMNOVYKBGKA-SFHVURJKSA-N 442.545 1.210 30 10 IDEE COc1cccc(N2C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2=O)c1 481279346 ULZLWUCWAZKKRC-GDBMZVCRSA-N 442.497 1.155 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2nc3c(cc2C#N)CCCC3)c1 484150060 XBRFSWMKVYMCDX-UHFFFAOYSA-N 443.529 1.663 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2=O 504103284 JMEGNHPMVOYNSV-MTTLDHAHSA-N 437.500 1.671 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 535138169 OJNJSOVACWVUON-INIZCTEOSA-N 431.464 1.149 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3ccc(F)c(C#N)c3)C2)cc1 536254773 NUCHZFQCPGGOQY-UHFFFAOYSA-N 425.463 1.057 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC)c(=O)n1C[C@H]1CCCO1 603798617 OOWBLQLMPCFXGA-QGZVFWFLSA-N 439.537 1.293 30 10 IDEE N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)n1 611645080 ZKMIXXRGSRMSIN-MRXNPFEDSA-N 430.490 1.168 30 10 IDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 728578256 YDDGIZPEIDLKKN-UHFFFAOYSA-N 432.477 1.793 30 10 IDEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1 730137096 CVJBIOXYQSTGEN-SFHVURJKSA-N 447.605 1.773 30 10 IDEE N#C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCN1C1CC1 732651517 BMFKPRXSRTVVDB-MRXNPFEDSA-N 426.336 1.563 30 10 IDEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 740203170 FXOYYFLBVSMWDG-GOSISDBHSA-N 438.408 1.962 30 10 IDEE CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747495116 IQKUWQRQKGSDDR-UHFFFAOYSA-N 444.513 1.900 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)s1 750395432 OVMQIAOCOUNVRT-MDWZMJQESA-N 445.522 1.921 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 751926913 XNKUPPFSXGZQKE-WBVHZDCISA-N 433.578 1.437 30 10 IDEE C[C@@H](CC(=O)Nc1c[nH]cc(Br)c1=O)/N=C1/NS(=O)(=O)c2ccccc21 761028981 LTTHNFFLWCFPAD-VIFPVBQESA-N 439.291 1.593 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(-c3ccccc3C)c2=O)cn1 772278736 NIQXFLOKNLHMAR-INIZCTEOSA-N 449.536 1.159 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3ccc(N4CCCC4=O)cc3)CC2)o1 775275331 KHDVDNJKJGPSBH-INIZCTEOSA-N 436.516 1.981 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCOC 783943869 ZCYBTUUFEOJYJH-CQSZACIVSA-N 442.566 1.922 30 10 IDEE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787776061 SRSOBEBNCRUCIP-KRWDZBQOSA-N 432.528 1.924 30 10 IDEE Cc1nc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1I 795083782 BMIIDUOOIVVBAO-CCEZHUSRSA-N 426.214 1.850 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)n1 802333935 ANCGHVBFPHEFLU-HXUWFJFHSA-N 437.500 1.802 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C(=O)C3CC3)C2)cc1 806219530 JQVSLEHRZRGECI-CZEALIGGSA-N 434.518 1.711 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 809890122 UFZFDFUHLHODOY-INIZCTEOSA-N 434.541 1.735 30 10 IDEE CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)ccn1 856636163 YCHUSRKHHRSNQU-UGNPLGLKSA-N 427.505 1.430 30 10 IDEE COc1ccc(O[C@H](C)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915377937 LXUMFWWGLRBFGP-CQSZACIVSA-N 428.445 1.523 30 10 IDEE CSc1ccc(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1C#N 1133725606 OGGFTFIBRVJGJO-UHFFFAOYSA-N 447.318 1.802 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)c1cc[nH]n1 1140896557 VVYRFXLGWZRZSF-QGZVFWFLSA-N 427.505 1.674 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H](CC#N)C(F)(F)F)CS(=O)(=O)[C@H]2C1 1178330151 OHTQNNCBOIBXHP-NDBYEHHHSA-N 439.456 1.617 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 1286360429 GPQDQNXCKVUNNN-JKSUJKDBSA-N 436.607 1.856 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286387289 CHNSSAVNIZQVKR-IBGZPJMESA-N 435.513 1.225 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286398257 HXCATKCKHJTCKQ-GOSISDBHSA-N 436.491 1.070 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1286409970 PXULKWBXGXQHCF-HXUWFJFHSA-N 433.472 1.038 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286414705 ABOAAXIRQITEGV-RTBURBONSA-N 428.581 1.767 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1286446826 JICADLWGEYYWNZ-QURGRASLSA-N 434.500 1.863 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccnc1N1CCOCC1 1286467561 QZRHWWVEUUBDJF-IBGZPJMESA-N 426.521 1.148 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCC(=C)C)CC1 1286473727 RVWIBAGDKPGOLT-UHFFFAOYSA-N 443.573 1.697 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286479700 IZFVHJPAWFMDBH-IAGOWNOFSA-N 426.487 1.421 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(CC)CC)CC1 1286485394 KCRLXWYZWOBOFD-KRWDZBQOSA-N 431.585 1.112 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286711711 OTQRKFBTQNKLBY-WOJBJXKFSA-N 446.596 1.508 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C)n2)C1 1286800187 HPKFRZXTJHAEMK-SJLPKXTDSA-N 434.566 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286823400 MVOQXGGITBUHFW-PKOBYXMFSA-N 448.593 1.744 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)c1ccccc1 1288825339 CCSYGAZPFUNPRR-KXBFYZLASA-N 435.529 1.467 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCC3)CC2)n1Cc1ccc(C#N)o1 1288864238 VHOXMFFPPBIDAE-AWEZNQCLSA-N 433.538 1.076 30 10 IDEE CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1293082846 YDXQZINYWLRNFQ-UHFFFAOYSA-N 443.397 1.920 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1cnnn1C 1297274865 GHIWXIPABHUSJQ-UHFFFAOYSA-N 425.472 1.329 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(C(N)=O)CCCC2)CC1 1300707185 BMGGPIPWSFKCLM-UHFFFAOYSA-N 436.560 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)[C@H](C)CC)CC1 1300719618 IXUPXJYXYPOVLE-VQIMIIECSA-N 427.553 1.706 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301489862 FJBFSGMOCZWIJN-NQIIRXRSSA-N 438.576 1.967 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CCCO)CC1 1301588528 GLEGLFQQYUVCIX-SFHVURJKSA-N 426.583 1.762 30 10 IDEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1301925391 NNXXZBCRWMJWHR-UHFFFAOYSA-N 433.520 1.403 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1303203953 DDHGWXULNUONIW-SVMVAKDDSA-N 429.569 1.716 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccc2c(c1)OCO2 1303366900 CONQYDFSJOFJJT-FQEVSTJZSA-N 430.440 1.666 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1305534197 PWOLOJBCJRUVDF-INIZCTEOSA-N 448.535 1.538 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)C2)nn1 1310162552 QZPHICRWRDUXBY-RELWKKBWSA-N 445.505 1.382 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1359010099 GPTWXCWJPURUIH-HUUCEWRRSA-N 431.509 1.506 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC=CO2)CC1 1359032059 ZNETXLXEGQKCCZ-LJQANCHMSA-N 441.557 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccncc2Cl)CC1 1359045013 ULYOOTXPCWUTCW-QGZVFWFLSA-N 441.923 1.292 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOC[C@@H]2CCOC2)CC1 1359047891 XOHQPPCVPSGZHD-AZUAARDMSA-N 445.564 1.539 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359096507 CPRLPTWCMKYLMD-BQFCYCMXSA-N 447.565 1.234 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359120837 FVAXOFZJIKZGKF-UHFFFAOYSA-N 436.538 1.442 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)ccc(F)c2C1 1359291058 CTEAAJOHVOFEDU-UHFFFAOYSA-N 430.459 1.657 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1359303216 HTXHCMBKPZNANF-UHFFFAOYSA-N 426.496 1.634 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)C1 1360034346 DJUQEKKGCLBRNT-VQTJNVASSA-N 437.548 1.485 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CCOC1 1360324974 VSMUFWFSINXPQP-XZOQPEGZSA-N 441.532 1.978 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N(C)CCOCc2ccc(C#N)cc2)[C@H]1c1ccnn1C 1436559849 MBUFBFVYUDFVAL-RTWAWAEBSA-N 425.489 1.255 30 10 IDEE C=CC1(CC(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)CN(C(=O)OC(C)(C)C)C1 1443499507 ZDVXFEBZICYPJF-UHFFFAOYSA-N 435.569 1.311 30 10 IDEE CN1CCN(CCNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1463838391 ZSSBXFRRZOWZEI-HXUWFJFHSA-N 427.549 1.756 30 10 IDEE CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1467378339 FSJOQNFBTAIENN-IBGZPJMESA-N 426.466 1.555 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1469764016 DZCIJJKSNGZUGE-DLBZAZTESA-N 436.472 1.871 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1503890423 DXXHLEGWEBQAHN-UHFFFAOYSA-N 435.492 1.466 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCc1cnn(C)n1 1505069700 HIHKUFBPAOJBKS-WMZOPIPTSA-N 428.541 1.893 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1507686462 CMFZACZTYUFQIO-UHFFFAOYSA-N 435.532 1.907 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507804348 KLNSKIWOZVYULF-KNQAVFIVSA-N 430.597 1.956 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507831738 DHQDHGZSDMDRPA-GDBMZVCRSA-N 435.554 1.331 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1508084142 IIPFPKNOUBRHPE-HNNXBMFYSA-N 444.561 1.522 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(N)=O)CC1 1508084395 BAFBSEJQVNYLHC-UHFFFAOYSA-N 435.488 1.604 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1508121576 FMOVAKCGNOTJQE-MOPGFXCFSA-N 438.532 1.761 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(F)cc(C)c2C1 1508141028 KYFBMSKZFUFQJW-SFHVURJKSA-N 447.536 1.840 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1508422195 DCNQZEXNHQCSQP-IRXDYDNUSA-N 432.550 1.746 30 10 IDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1511626400 HIQRGVHINVNSDR-UHFFFAOYSA-N 432.532 1.926 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)COC)CCN2C1=O 1515753390 ATTQRDGOMNQRJE-QAPCUYQASA-N 437.504 1.572 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1519162958 IMYXLVYYNOJISO-XGHQBKJUSA-N 432.525 1.324 30 10 IDEE Cn1c(=O)oc2cc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c(F)cc21 1524879685 OEVFJBZHILJFGI-CQSZACIVSA-N 437.387 1.986 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1536900685 AESKJLQUEDEVAG-LIRRHRJNSA-N 447.513 1.282 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539102092 SQEZEQPYAJADEW-OAQYLSRUSA-N 427.530 1.621 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539171595 LNBXREVAMAIXTA-QZTJIDSGSA-N 449.559 1.761 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539215350 AKLUXIXCEWVMGV-LJQANCHMSA-N 436.541 1.913 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](F)COC)CC1 1539469598 DBHSIVNSNNFMSD-SFHVURJKSA-N 429.496 1.904 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(CC)CCOCC2)CC1 1539481339 LJOSBTBDOBAUJH-IBGZPJMESA-N 429.565 1.955 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC2CCOCC2)CC1 1539510651 LMUUCKQOQVCVAS-UHFFFAOYSA-N 427.578 1.650 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 1539517098 IMRHJJYXXOAAEO-APWZRJJASA-N 426.608 1.942 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1540036686 RLXFDOZZVVEJFS-ROUUACIJSA-N 438.594 1.904 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1540041628 BXTMWPOYNWCKGJ-JKSUJKDBSA-N 430.513 1.254 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540869368 KMJRRVMLWZDAAV-VQIMIIECSA-N 425.537 1.108 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1540875587 QOANAPSPIZTZFK-UHFFFAOYSA-N 432.550 1.577 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)CCOC1 1541733552 RTBWMDUTNOXRRT-PGRDOPGGSA-N 441.536 1.557 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C)CC1 1542892930 AOVWEZDQAWIKLJ-OAQYLSRUSA-N 442.560 1.845 30 10 IDEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)s1 1543100134 GUBPXJJKHOJXPS-UHFFFAOYSA-N 443.558 1.844 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1546851015 AVULLYFOWFSQFW-YADHBBJMSA-N 426.521 1.982 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)CC1 1547698960 ALLAJCJAHYOKGW-LVCYWYKZSA-N 437.564 1.470 30 10 IDEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(=O)NC)C1 1548367692 FZXLHUMTRPHNQD-QGZVFWFLSA-N 434.422 1.870 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1554207739 AVWPQVDOWPVMLU-VDMFXUGISA-N 449.462 1.237 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)OC 1555247548 BRCODGHVBMHMSN-QUCCMNQESA-N 426.521 1.783 30 10 IDEE COCCn1cc(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1555571446 FCPILMXJGMTGBZ-QFIPXVFZSA-N 443.552 1.950 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)C1 1558064753 SMLJIFBUMUJQPJ-UHFFFAOYSA-N 445.239 1.894 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 1564417410 VMGKMODFLJQFLG-CVEARBPZSA-N 440.566 1.478 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCCC23OCCO3)nn(-c2ccc(F)cc2)c1N 1565249987 RUHHEJACMLTOKY-GOSISDBHSA-N 428.468 1.993 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC)C1 1587580455 PXOWNKWYWYJLPV-MSOLQXFVSA-N 444.605 1.995 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1587754362 BIOIIWJCFRCQFK-KRWDZBQOSA-N 428.537 1.966 30 10 IDEE COC(=O)C[C@H](C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1587763700 QSYQVQDEICIAHX-OQXXTQHASA-N 448.564 1.869 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1588084107 MLUJQDHCYGIMLW-YJBOKZPZSA-N 433.509 1.488 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C(F)F)nc4cnccn34)CC2)cc1 1588158367 UUXWMQHFSBESLF-UHFFFAOYSA-N 446.439 1.685 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 1588198913 BKSCXKIWDWXHPO-UHFFFAOYSA-N 444.326 1.232 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)COCCO1 1588218874 GEHLKKOGJZIEIV-QHCPKHFHSA-N 432.484 1.862 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCOC[C@@H]1OC 1588673670 WTDRKKLDXMITFW-ICSRJNTNSA-N 438.532 1.654 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccccc2F)CC1 1588811190 CCGPESMKPCJAAW-HXUWFJFHSA-N 440.523 1.844 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)C(=O)NCC)CC1 1588913781 QKCIZMGHNCEDCX-UHFFFAOYSA-N 437.548 1.468 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1595517468 ZDXYGOHCLXRHEW-MJGOQNOKSA-N 440.548 1.615 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)s1 1597289703 DETCDORJXZPAIU-UHFFFAOYSA-N 435.575 1.511 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)Cc3ccc(OCC#N)cc3)nn2)C1 1597371160 CMDYUDOWRHJPJT-UHFFFAOYSA-N 426.477 1.831 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1610078882 MGRFHTJYYMYTCH-AWEZNQCLSA-N 425.493 1.232 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CSCCS1 1611686159 BFTXQSJZKVWLSM-SLEUVZQESA-N 434.588 1.179 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cs1 1612412262 MHXQWOIYHSOHDY-ZBFHGGJFSA-N 436.563 1.187 30 10 IDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCOCCO)C[C@H]1C)C2=O 1615245797 FOZIFTCRZSCRAH-BIBXISHDSA-N 425.865 1.762 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1615666644 OZRIKTHBYFJVKW-UHFFFAOYSA-N 428.562 1.950 30 10 IDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1617442745 IKEDDDIZYASBLY-JCOAXYOVSA-N 442.545 1.356 30 10 IDEE CCOC(Cn1ncc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1N)OCC 1618182346 YLUDFXJRTVCOPR-UHFFFAOYSA-N 426.521 1.694 30 10 IDEE CO[C@@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619484134 VQOCFLMTILVCHJ-RDTXWAMCSA-N 439.520 1.766 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1620351515 AJIUBTOBWOFATK-GOSISDBHSA-N 445.545 1.372 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)[C@@H](C#N)C1(SC)CC1 1624875769 IPPSKNPQQNZWMZ-KRWDZBQOSA-N 439.559 1.576 30 10 IDEE N#Cc1cn(CCC(=O)NCCc2ccc(I)s2)c(=O)nc1O 1626511872 UXHNNMLTGZKWQQ-UHFFFAOYSA-N 444.254 1.236 30 10 IDEE C[C@H](CC(=O)N[C@H](c1cccnc1)C(C)(C)CO)/N=C1/NS(=O)(=O)c2ccccc21 1627638057 GTNBXXIPSMYSCB-AUUYWEPGSA-N 430.530 1.775 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCCCC(=O)C2=O)CC1 1628596328 AKZSRXQMZLYDRA-KRWDZBQOSA-N 447.333 1.740 30 10 IDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C(=O)OC 1637694111 RAPFPZQBRXNLCV-MRXNPFEDSA-N 430.885 1.561 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCN1CCN(c2ncccn2)CC1 1640968492 DUBIIMMPSJQHIB-SFHVURJKSA-N 445.568 1.692 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1642035133 PVWSWPAOECSGFL-YOEHRIQHSA-N 446.451 1.380 30 10 IDEE CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155932 SDWOEJCXKBFRFT-HNAYVOBHSA-N 433.511 1.222 30 10 IDEE N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1648280198 UNHWFTBKGUIYQE-OFKYTCTHSA-N 440.319 1.262 30 10 IDEE C#C[C@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)C1 1648879825 ATTJXLKZXHSSOV-AWEZNQCLSA-N 425.470 1.955 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@@H](O)C4)C3)cc2C1=O 1651502623 LYEZOANMJIFDRN-KZNAEPCWSA-N 439.512 1.741 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1651755458 LZPOHJSHGKXOBU-GOSISDBHSA-N 430.486 1.273 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1653839889 OJTZKPFCQASIJV-ZDUSSCGKSA-N 440.522 1.418 30 10 IDEE CO[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@](C)(CO)C1 1654488234 BGJANQPLAGQWJY-QQMNAOGKSA-N 430.549 1.828 30 10 IDEE Cn1ncc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Br 1655204376 CCHDYPPAQSZBSX-CYBMUJFWSA-N 438.307 1.134 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC3(CC2)C[C@@H](O)CNC3=O)n(-c2ccccc2)c1C 1655776578 SWNPGCUQMRAUMH-LJQANCHMSA-N 435.528 1.867 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)C(=O)OC 1664950601 CMRRGNMVCYUWSU-RCCFBDPRSA-N 440.518 1.450 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1CCOCC1 1682887221 IXHDKCBCVIPJID-HXUWFJFHSA-N 433.530 1.334 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1689833829 QZESAVRMIPFRBV-INIZCTEOSA-N 439.545 1.829 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689988417 ONANLFNRVYYGRP-CYBMUJFWSA-N 448.496 1.558 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1690019639 NSKKMMHBTLEEIR-SFHVURJKSA-N 447.948 1.386 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1690090938 DDQBEFFPTRALMX-KRWDZBQOSA-N 442.520 1.741 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1690096200 OGRSVMIYKZLYHQ-LSDHQDQOSA-N 445.483 1.429 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1690120152 JDOMKFSYXALUAK-UHFFFAOYSA-N 448.527 1.523 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690165935 OMNGOSUIXVKSEP-AWEZNQCLSA-N 436.559 1.910 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1690252711 HYZDNRPQYVWXND-AAUAJYIVSA-N 447.580 1.874 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1690431012 YRUJSANTVHGBEH-QZTJIDSGSA-N 445.612 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690723397 QEXHJODDSCOVGG-KRWDZBQOSA-N 433.582 1.881 30 10 IDEE CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695183358 XQLPGLWQRSHZIY-SFHVURJKSA-N 443.577 1.964 30 10 IDEE COC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697092261 GEDPSUBBACYJBP-DLBZAZTESA-N 440.552 1.974 30 10 IDEE COC[C@@H](F)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1697789311 WJMBCIXILIKLTO-JONQDZQNSA-N 438.504 1.762 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1705566483 NTAWZVGOSJNNHB-SJORKVTESA-N 447.561 1.706 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1705612633 KXJPGCKWWZZZAY-SFHVURJKSA-N 433.553 1.911 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C)n(C)c1=O 1705624416 AOEWZOOQYXSKOJ-UHFFFAOYSA-N 435.484 1.815 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCNC(=O)c2cc[nH]n2)CC1 1705634960 NQNXNXISHHUZSA-FQEVSTJZSA-N 446.559 1.728 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1705693862 LMXWWGNQVNTOMO-FZKCQIBNSA-N 429.612 1.811 30 10 IDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705947463 LXPMZSUHDAENHA-UHFFFAOYSA-N 441.561 1.704 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOCC)CC1 1709843429 XCDLVXLGRBOPNC-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1711418215 IJQLCLHWVNESIO-HXUWFJFHSA-N 430.534 1.373 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@@H]1C[C@@H]1C 1712556637 AFNDGLOECDVZCV-YXJHDRRASA-N 428.541 1.823 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CCO1 1712884446 MFWQNPQTUXXNJD-HOTGVXAUSA-N 428.468 1.470 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1722296117 ZXXCLZFZVIFQDZ-GFCCVEGCSA-N 429.431 1.031 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1722316442 ICJZSLGXBUPYNT-HOTGVXAUSA-N 427.596 1.356 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1722362826 CCZSSXSLZWUWRB-LJQANCHMSA-N 432.546 1.677 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1722403348 YMLBKJLNHQMQOC-HNNXBMFYSA-N 432.550 1.146 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1722410460 FHTXQECVWVBDTG-INIZCTEOSA-N 427.505 1.957 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCC2)CC1 1722431459 LTGJMYRHVGUBKJ-UHFFFAOYSA-N 442.951 1.532 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1722565941 GCXASBPGJQQNGJ-OTWHNJEPSA-N 437.610 1.836 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1723781305 YNHHAFZNWSADPV-GJZGRUSLSA-N 440.570 1.833 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1728760408 FMVLLEBYIRPSNK-OXJNMPFZSA-N 439.582 1.883 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1730497470 GZPYNSYAJOAPMM-HZPDHXFCSA-N 430.440 1.354 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@@H]1C 1740537407 DAHZURALSUXXLJ-CMPZQBNXSA-N 446.577 1.544 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1740618477 IIBQQZVVSROEIF-RTBURBONSA-N 443.529 1.105 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1740717562 VXQAUZUURBCKBE-QGZVFWFLSA-N 441.623 1.746 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1 1740932411 NBESIVVTIYAMDF-SQNIBIBYSA-N 439.582 1.341 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1740957746 ZIHGWLMAJBDCRP-ZDUSSCGKSA-N 426.447 1.054 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1740968473 JHHDBWVQIQHHGM-MOPGFXCFSA-N 427.505 1.694 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1741094407 XLLXQAZWXFKSFB-HXUWFJFHSA-N 439.564 1.747 30 10 IDEE CN(C)S(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](F)(C#N)C1 1747606608 BEKMSMNUDXUHDD-HXUWFJFHSA-N 445.524 1.614 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1747942250 KJIFHLZBBICUAQ-UHFFFAOYSA-N 439.563 1.122 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)NCC=C)c1 1748691703 KCWPIPLRDRSKMA-UHFFFAOYSA-N 431.500 1.642 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1748740200 NLEPNAFJGKGRCC-UHFFFAOYSA-N 440.548 1.634 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCCC2)CCOCC1 1748948292 LGBVEJYUZSHCOF-UHFFFAOYSA-N 432.569 1.147 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1749121903 QJNIIISOBFIQBY-RBUKOAKNSA-N 444.561 1.783 30 10 IDEE C=CCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OCC)CCOC1 1749646712 XVMOFTZCCIXKEA-REWPJTCUSA-N 448.612 1.347 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OCC=C)C1 1749667348 YNVXYNFYWXWRBZ-MRXNPFEDSA-N 449.515 1.276 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749676269 KLKVRAVEWCCIDV-KRWDZBQOSA-N 436.520 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1749729474 KUBPNCFNNSWMLE-UHFFFAOYSA-N 442.545 1.620 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1750204757 IDMKUQMSKDVMLJ-SFHVURJKSA-N 444.561 1.020 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1760188403 PBPADDXHQUIVOD-MOPGFXCFSA-N 446.577 1.811 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1760197259 YWMJTSLFOVZPPX-DEOSSOPVSA-N 435.528 1.801 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H]1C 1760245549 HOEZZJSXLGMFPY-SFHVURJKSA-N 435.536 1.491 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2c(C)noc2C)CC1 1760261498 RWYHPFYJJDIKLO-INIZCTEOSA-N 425.537 1.564 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C)C1CC1 1760476647 BIKIRPRJRAXRJO-KRWDZBQOSA-N 440.614 1.354 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1760494356 UYXIKWGVFFJLHB-UTKZUKDTSA-N 432.594 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1760556023 SOTDVJFDTNPJKM-UHFFFAOYSA-N 425.555 1.007 30 10 IDEE CC(C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1760927920 DQQGLJQUTATNOL-UHFFFAOYSA-N 425.493 1.185 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1766262329 HFKVGWGBWVPCSB-UHFFFAOYSA-N 437.548 1.929 30 10 IDEE CCOCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766450157 NRMMNYZIXAXQQB-SDGVZRARSA-N 442.442 1.976 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO 1767770694 BJOGRYNLZOWHEU-IBGZPJMESA-N 425.537 1.236 30 10 IDEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)CCC1 1770828598 NNWULVLMCMRFLR-RTBURBONSA-N 439.516 1.994 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1771347457 GYDNGABNQZBLSH-IBGZPJMESA-N 444.561 1.162 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cscn2)CC1 1772567110 NCUUGYMFGKFTGR-KRWDZBQOSA-N 431.566 1.601 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc(-n3cccn3)nn2)cc1 1853087206 QIRWMOHHZQMTLK-LJQANCHMSA-N 434.456 1.471 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CCCS(=O)(=O)c2ccccc2)CC1 1853306948 YIFXOEWGXJLDQJ-UHFFFAOYSA-N 442.541 1.873 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862131139 DKGXKBGAFMRVBA-INIZCTEOSA-N 433.505 1.538 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3OC)CC2)CC1 1890276259 VQJZTDDIAPTVKH-UHFFFAOYSA-N 429.561 1.723 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1[C@@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 1910954850 CAFOVBIHNWTYMU-JYJNAYRXSA-N 443.541 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124541601 UXELLIRXKQUBLI-OAQYLSRUSA-N 448.329 1.476 30 10 IDEE C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243696801 FDYYKIFYUZSMHN-NXEZZACHSA-N 430.311 1.449 30 10 IDEE Cn1ncc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2255541373 AOXJVHKOMZQSSO-CFVMTHIKSA-N 432.330 1.457 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2255839455 WFTGGMVRGSXGKA-QWHCGFSZSA-N 435.334 1.290 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267122032 GFOKAHCHHIBMEW-CABCVRRESA-N 446.357 1.801 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267184697 WVMRMCRITHJGOV-QKDCVEJESA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1O 2267290855 IQNATKYXSXPZSW-UNEWFSDZSA-N 449.357 1.708 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267543103 BKZGSOIWHCQILC-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CC4(C3)OCCO4)cc2F)OC1(C)C 2282328262 UZJMFKWXKHSEHC-UHFFFAOYSA-N 427.303 1.556 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)c1 21325038 BVYDMFUEFDLEGC-FSJBWODESA-N 442.505 1.971 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)C1 238842714 HXYOYCQBPMVBNS-OAHLLOKOSA-N 442.426 1.938 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1Br 432852387 QPGWTNWEGQIGTD-AWEZNQCLSA-N 442.335 1.580 30 10 IDEE CCOC(=O)[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 461190856 GZLZGRHCTZVLTQ-GOSISDBHSA-N 429.498 1.874 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C)cc2)n(C[C@@H]2CCCO2)c1=O 462424845 CFPPRAPDTZWWQH-IBGZPJMESA-N 448.548 2.000 30 10 IDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)s1 464418379 BCUSOXOAONQNJA-UHFFFAOYSA-N 436.515 1.711 30 10 IDEE N#Cc1c(N2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2c(c1C#N)CCCCCC2 479379079 NOVIXDHTGHZTCA-UHFFFAOYSA-N 444.561 1.183 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(Cc2cscn2)CC1 481515025 DFVGGJZAZGCCAD-HNNXBMFYSA-N 433.559 1.416 30 10 IDEE Cn1cc(C(N)=O)cc1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 503271139 VMYRMXWPIKSMRR-QGZVFWFLSA-N 430.306 1.909 30 10 IDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 522208685 XOQYRKKPHJTDAE-MRXNPFEDSA-N 433.515 1.290 30 10 IDEE CCc1ccc(CN2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)s1 533448970 IMHWJTDTARCGIG-UHFFFAOYSA-N 442.589 1.945 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(=O)NCCN(C)C 535373014 AYSOVFAFATZBFK-INIZCTEOSA-N 434.484 1.948 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c1 540697490 VMEWBMARVXYPGT-INIZCTEOSA-N 427.526 1.529 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 545489054 GDXRPDPEUYTGPB-UHFFFAOYSA-N 430.461 1.417 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 545986829 FGPDKHLAPPVBSN-IBGZPJMESA-N 431.514 1.790 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCN(c3cccc(C#N)n3)CC2)cc1 546919611 HOVJAFVAWIUFHJ-UHFFFAOYSA-N 427.530 1.898 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)CC2)n1 546926815 WULIDDLQHWAMBX-UHFFFAOYSA-N 447.543 1.524 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(CC)s2)CC1 555220896 HNWAECBEUIBHCW-CQSZACIVSA-N 439.611 1.810 30 10 IDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 590914727 XNGLEWRNQHPZTH-IBGZPJMESA-N 439.581 1.981 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 605408238 RSPIYSSTJNCVLR-UHFFFAOYSA-N 429.521 1.140 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(F)c1 609256777 IKGFXHFGFMVJHL-UHFFFAOYSA-N 439.447 1.223 30 10 IDEE COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 619565818 DBWAGXPAGBBGFH-UHFFFAOYSA-N 441.444 1.858 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 727415518 SUVPYBYRTQLROW-UHFFFAOYSA-N 429.542 1.343 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 729330644 CFGQWSJBTWRGRM-GOSISDBHSA-N 438.571 1.370 30 10 IDEE Cc1ccc(C#N)cc1NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729567271 JOYFGPXJTYVSOU-UHFFFAOYSA-N 429.282 1.913 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 730246644 DBJAWMQCOXKGPD-INIZCTEOSA-N 435.546 1.975 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C(C)C)c3)c2=O)cn1 732796588 HCGHRYIHUAXIRP-UHFFFAOYSA-N 436.541 1.765 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(Cl)c1-n1cccn1 737304744 BCVVNRQIDMJEBL-ICFOKQHNSA-N 428.836 1.107 30 10 IDEE CCc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1ccc(OC(C)C)cc1 741218021 BLJYWBVGJPYGRM-XDOYNYLZSA-N 438.488 1.873 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(c2cccc(C#N)n2)CC1 760854281 SGQHHXIDVHLNGX-KRWDZBQOSA-N 442.520 1.118 30 10 IDEE Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CCC2=O)cc1C 760988022 UPFAMEVJYTYDNM-SJLPKXTDSA-N 431.514 1.012 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccc(CC)s2)CC1)c1cc[nH]n1 772283051 WTOADLVRVIBARF-UHFFFAOYSA-N 433.534 1.662 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1 789322228 DOHSEZIYYDZJLV-HXUWFJFHSA-N 443.592 1.462 30 10 IDEE C=CC[C@@]1(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790619997 JLVMGUVSDCOSJR-NRFANRHFSA-N 443.610 1.957 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNC(=S)NC[C@H]2CCCO2)C1 794470036 ANMQCDPDQQOKGK-HUUCEWRRSA-N 427.571 1.379 30 10 IDEE N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCN1C1CC1 802433736 YNWFINHLBQLXDU-AWEZNQCLSA-N 429.905 1.139 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cc1 808113463 HVHGXYHATCADGF-HNNXBMFYSA-N 445.497 1.975 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC[C@H]3COc4ccccc4O3)cc2C1=O 916415984 BMSYSOFCXZNUKM-HNNXBMFYSA-N 436.420 1.582 30 10 IDEE CCCCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1 916776289 XXUJGDAILHHNQS-UHFFFAOYSA-N 427.548 1.346 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCc3c(C#N)cccc32)c1 1129913900 HQIAYFYBNDWFBU-UHFFFAOYSA-N 440.525 1.848 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc(-c2cccnc2Cl)ns1 1130410181 IIOAOKUNAKCESK-UHFFFAOYSA-N 434.890 1.931 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@H]2CCCCN2CCO)CC1 1141281249 SIWYEVKNKYXZLX-QGZVFWFLSA-N 427.505 1.986 30 10 IDEE C=C(C)C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1153517079 TYDSLYCNZRVDCC-CABCVRRESA-N 432.539 1.425 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1154270884 DQXGFSCEVLHTEW-NRFANRHFSA-N 448.545 1.839 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC3CCOCC3)C(=O)OC)ccc2c1=O 1161759893 ONIPECZXQYVLSM-KRWDZBQOSA-N 431.514 1.959 30 10 IDEE C=CC[C@@H]1CCN1C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1180063687 KQKPNFOUBRZTHN-CJOJLPBESA-N 426.560 1.557 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2cc(CC)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 1187437972 OBVGZJSUVBHWAQ-UHFFFAOYSA-N 430.490 1.204 30 10 IDEE COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1210948940 AJBKDPHARCESMR-OAHLLOKOSA-N 443.529 1.698 30 10 IDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1 1211927217 PNTSWNDOZXFMQK-UHFFFAOYSA-N 432.445 1.987 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1286278071 LAGDQVQPHMRHLN-ROUUACIJSA-N 444.605 1.795 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1286381349 GFCQAIGCSOMOER-LAUBAEHRSA-N 448.545 1.587 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(CC)(CC)SC)CC1 1286472553 UKSAOSLVGKOBAS-MRXNPFEDSA-N 442.655 1.565 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1286517780 VTDUWCOIJARTMJ-NIKGAXFTSA-N 437.591 1.850 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286776894 JVLRZPQCTLQVRV-UHFFFAOYSA-N 437.504 1.489 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286820625 OLCPAXXEZYWVHY-XLSPSMHOSA-N 440.566 1.156 30 10 IDEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)C[C@H](C)O1 1291292533 FZHVVOZISQKPLE-ROUUACIJSA-N 429.569 1.640 30 10 IDEE CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)S(N)(=O)=O 1291722986 UKHTXTRYEGOTRG-WFOVFMPGSA-N 444.579 1.675 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CCOCc1ccc(C#N)cc1 1298755744 FUXOQMWUIJMPHA-KSSFIOAISA-N 437.543 1.323 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300362700 TYLMSOVPKAIPSM-KSEOMHKRSA-N 442.608 1.964 30 10 IDEE C#CCCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1300424965 QJXSNSNXPOXTIJ-FXAWDEMLSA-N 439.582 1.109 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1300495462 HYKOPGKTQIYYGP-JKSUJKDBSA-N 426.608 1.940 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300575247 UVRMFCFWCQWDPE-UHFFFAOYSA-N 436.541 1.734 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301149151 XTVYNFYSBIOPPJ-ZWKOTPCHSA-N 443.596 1.574 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1301479131 UNTRDDXPWNYYJK-INIZCTEOSA-N 440.504 1.449 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cncn2)C1 1301508788 VGDRCVBVNILAIW-INIZCTEOSA-N 427.538 1.369 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1301553580 OOUONUPYTOILPL-QZTJIDSGSA-N 428.537 1.560 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](OC)C1 1301577895 PNJDBWBDGXRBQJ-MRXNPFEDSA-N 434.518 1.890 30 10 IDEE CCc1nnc(N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)n1Cc1ccc(C#N)o1 1306171246 GLSBSEVTRZZNOA-KRWDZBQOSA-N 436.538 1.230 30 10 IDEE C[C@H]1CN(c2ccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@H](C)O1 1308127628 GUIPNSLQPUSIBA-NWZZKEMCSA-N 432.546 1.109 30 10 IDEE CC(C)(CC#N)CNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1312839793 CRRRUSXOFZITGQ-UHFFFAOYSA-N 436.557 1.926 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1314510681 SNCJUAFTFQAKCN-INIZCTEOSA-N 432.506 1.146 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314578229 VMWKTLCUSUEHRT-ZQHDKMAOSA-N 429.550 1.491 30 10 IDEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1315409445 AMJRZRRKDDQDRJ-SFTDATJTSA-N 445.545 1.633 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1316269167 ZQMSOJHLYUTQFQ-INIZCTEOSA-N 428.493 1.059 30 10 IDEE CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 1354573823 CQOOBRGBFVBXQA-HSZRJFAPSA-N 442.523 1.989 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1358980805 KRZAEGKYYIXKRX-GOSISDBHSA-N 436.541 1.414 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1358985285 UWWGPIKUTRRBGR-PGRDOPGGSA-N 443.573 1.649 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1358994421 NCLYOALKLSECMC-CVDCTZTESA-N 438.553 1.477 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)NCC)c2)CC1 1359037445 JPTKGJCYLOFPKH-UHFFFAOYSA-N 443.555 1.817 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOC2CCOCC2)CC1 1359039964 CNSLTGSDOIFSJY-FPOVZHCZSA-N 447.580 1.343 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359052925 VGCZITWQMOMUAD-UHFFFAOYSA-N 440.982 1.442 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1359070972 ZAXWXJIWLZOUGH-XMSQKQJNSA-N 447.605 1.965 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359302209 ZHUGJHDRPPMUIE-GJZGRUSLSA-N 437.541 1.568 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Nc2cccnn2)CC1 1359302650 OZUKVJDFOHUTFX-UHFFFAOYSA-N 433.520 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](COC)C1 1359329487 KNPNRUCVMYBWMS-HNNXBMFYSA-N 434.518 1.747 30 10 IDEE 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C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1690993305 HZUMHRVLXXSMDF-RYRKJORJSA-N 439.630 1.995 30 10 IDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC(C)C 1694722912 IEALXJGWUFSCGL-UHFFFAOYSA-N 445.593 1.757 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1697296377 PMWSXRWVUFFCHO-DYVFJYSZSA-N 441.492 1.689 30 10 IDEE COCC1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1697811875 SRNXHXFHDNTPOL-QGZVFWFLSA-N 432.550 1.806 30 10 IDEE COCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1698223191 AWNUNCFVGRZLDT-HXUWFJFHSA-N 437.504 1.791 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1705589472 RCGWEZPMKIRNFJ-IERDGZPVSA-N 447.536 1.398 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)c(COC)c2)CC1 1705642412 SREBLVGSXHJSLI-UHFFFAOYSA-N 440.523 1.490 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705904046 CQWUPIIKAGGHCQ-UHFFFAOYSA-N 429.525 1.474 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1706074809 FHCMHRRJHHVHSM-DOTOQJQBSA-N 440.533 1.405 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(Nc3cccnn3)CC2)n1Cc1ccc(C#N)o1 1706605245 AHKDCYNORMMVNT-UHFFFAOYSA-N 435.492 1.800 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1712633385 QIIVKPNJXPKFHG-BZSNNMDCSA-N 437.566 1.567 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC[C@H]1C 1712635550 UCRLDUUJRFAZSE-QYZOEREBSA-N 432.569 1.853 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722290582 YHGZCBSWXVYYCN-XYJFISCASA-N 431.566 1.341 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1722405874 RFUVUAYGXJMOIU-QFIPXVFZSA-N 441.557 1.819 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1722432976 WDPMJFNUNOLAJC-UHFFFAOYSA-N 440.529 1.878 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1722446264 CIKBELDYAWUNNG-INIZCTEOSA-N 442.486 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722730347 PINZRSKWQFXFOS-LAUBAEHRSA-N 438.594 1.996 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1723782647 CBOVBGQCSLYJML-OAHLLOKOSA-N 444.561 1.874 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H]1C 1728550880 LKARVUJXAYBWDN-PMPSAXMXSA-N 432.550 1.612 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1 1730417922 DCDFITJVZFPNGQ-UHFFFAOYSA-N 434.504 1.202 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740611010 RBKAIHIFDVEJNS-APWZRJJASA-N 425.489 1.355 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)CC(F)(F)F)CC1 1740699130 VICJTZLXCVBCMB-UHFFFAOYSA-N 438.502 1.389 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740750010 JXZAXQCPNJKGPI-IKGGRYGDSA-N 439.582 1.365 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740880583 IWWANABUSZJQOD-UHFFFAOYSA-N 440.552 1.532 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1740897786 UIJHVECGWBQCGY-UHFFFAOYSA-N 442.545 1.639 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1740932689 UBMODELWJFPLJJ-RTBURBONSA-N 437.610 1.715 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1740948517 KQBKHYWJWVJCLP-QGZVFWFLSA-N 429.569 1.156 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1740953092 VSFTWNZEAOZDEW-IBGZPJMESA-N 440.548 1.417 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccccc2)CC1 1740958235 LSPXQVJXWXGNFX-LJQANCHMSA-N 437.548 1.244 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)c1 1748157253 MCFAFWGEIKMBIN-LPHOPBHVSA-N 442.520 1.333 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748822165 ZCMNRVOZDGFIOW-ZWKOTPCHSA-N 447.605 1.552 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1748825748 DVBQLSHKZOIKMK-INIZCTEOSA-N 425.518 1.011 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1748956844 LMZYMFLWSULUQA-UHFFFAOYSA-N 446.360 1.887 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749031545 ABTKLQQTFOHMSG-INIZCTEOSA-N 436.607 1.416 30 10 IDEE C#CCSCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1749048238 LXUSQMDCRPXMLY-QFIPXVFZSA-N 447.605 1.792 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)CNC(=O)C2 1749241300 IWYLSPCUESBLJW-HKUYNNGSSA-N 433.553 1.701 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749250061 XJLQBGBSCJAZDB-UHFFFAOYSA-N 437.932 1.470 30 10 IDEE COCCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749656907 ZHBRKIWZHKIJAE-SFHVURJKSA-N 442.568 1.839 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1749668703 CVXJAYBNINXFFP-WOJBJXKFSA-N 425.533 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749736601 LZKMMAOEVYHINA-KRWDZBQOSA-N 431.562 1.445 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NC(C)C 1749966577 KHXGJPYIIUPWAP-CQSZACIVSA-N 443.508 1.062 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1750026197 FVOSMASTOMPQMQ-BPQIPLTHSA-N 445.568 1.093 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1750060036 CYPMMQZXLBTLCT-FOIQADDNSA-N 430.513 1.068 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1750060654 IEDLGXUAOQFCKC-LSDHHAIUSA-N 443.537 1.113 30 10 IDEE CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1750334161 STZWTMCVGYNGPL-UHFFFAOYSA-N 440.577 1.747 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCCS(C)(=O)=O 1752280277 DIIXZWVWWBXANS-HNNXBMFYSA-N 444.565 1.357 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1760155118 QDSWSORQGCPJJQ-IRXDYDNUSA-N 441.623 1.746 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1760188406 PBPADDXHQUIVOD-OALUTQOASA-N 446.577 1.811 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1(C)C 1760243060 URGJSRSTSALBSN-GJZGRUSLSA-N 429.612 1.506 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1760317987 BXCQSCBMRKXYCN-FXAWDEMLSA-N 426.521 1.616 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760525256 ZDCXCIMKHZBYKO-QGZVFWFLSA-N 428.924 1.636 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760527983 OQLKRGBFFAAUGQ-AEFFLSMTSA-N 440.573 1.896 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C)C1 1760531853 CCCVQKHIIIWIPD-HOTGVXAUSA-N 435.550 1.727 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCC2)C1 1760549658 JMCVDBHOHPFONJ-SFHVURJKSA-N 448.593 1.888 30 10 IDEE CC(C)OCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1761315484 SSAQDQWJJYKTQZ-QZTJIDSGSA-N 440.552 1.974 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1O 1770620664 PIYWTOYDYKARSL-MNEFBYGVSA-N 429.546 1.991 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1771298849 RVAZCNBVMVSKDL-VKJFTORMSA-N 429.477 1.904 30 10 IDEE C=CC[C@@H]1C(=O)N=C(NC(=O)COc2nn(C)c3ccc(Br)cc23)NC1=O 1851585020 KJTHAGCMZHVVJW-UHFFFAOYSA-N 434.250 1.036 30 10 IDEE N#CC1CCN([C@@H]2CCCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1855609972 PFRDNWLQYJXXPQ-PKOBYXMFSA-N 436.578 1.334 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1=O 1856805996 WAXZHIGQRZNNCM-JSGCOSHPSA-N 448.419 1.588 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 1858314000 FVSPUGCYNSKMNM-OAHLLOKOSA-N 425.919 1.953 30 10 IDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1 1859010687 CDXXIAFRXGJDRS-UHFFFAOYSA-N 445.497 1.376 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCCOCC 1870585286 IJAGTIWFDLWDGW-UHFFFAOYSA-N 433.549 1.687 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cc(Cl)ccc2O)CC1=O 1874338314 PQPFNBVSSRCDIA-UKLDMWCTSA-N 436.925 1.821 30 10 IDEE C=CCn1c(C(=O)N(C)C)cc2c(NCCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875231111 ACVNVDKMCLAPRK-UHFFFAOYSA-N 428.518 1.621 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 1891231238 NPWDXMKFPPCBPD-UHFFFAOYSA-N 432.496 1.996 30 10 IDEE C[C@@H](C#CC(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902014021 LYIFDWDALYNUBE-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243419139 RYRSEXYMTVAUFD-UHFFFAOYSA-N 440.309 1.802 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3CCN3Cc3ccccc3)c2)OC1(C)C 2255752873 MURHWHAJMSKZLD-LJQANCHMSA-N 443.378 1.934 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267112823 MDKOZJOKOBAXQJ-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2267186874 PYFHLBDUIXPPMD-GOSISDBHSA-N 445.222 1.803 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2267545625 LURBBXWVEAQNBR-UONOGXRCSA-N 449.361 1.538 30 10 IDEE Cc1cnc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267580623 IFPNNNIENQSUFI-UHFFFAOYSA-N 449.357 1.648 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268640077 UCWXHKQQKYJPAX-HNNXBMFYSA-N 449.313 1.776 30 10 IDEE C=CC[C@@]1(CO)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2287691320 AMGBQQADPANDFK-FXAWDEMLSA-N 440.518 1.346 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2356120970 ZLXVXKIDLLTNOF-RBSFLKMASA-N 440.294 1.990 30 10 IDEE CCOc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(Br)c1OC 57616494 YPWZGUHQYDSDCR-UDWIEESQSA-N 445.383 1.987 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cc1 108107848 DJUJMCZJUTZUJT-UHFFFAOYSA-N 426.420 1.854 30 10 IDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 111046467 GERDQVWYZCFEIQ-MRXNPFEDSA-N 429.498 1.270 30 10 IDEE COCc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)no1 409489760 ASKBBJLWLGDUEF-ZDUSSCGKSA-N 432.380 1.869 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCOc2ccc(C#N)cc2)CC1 460256794 ADLIAVMMIXYPDK-UHFFFAOYSA-N 432.502 1.759 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476806249 LFOLLJQMBXZDPE-WMLDXEAASA-N 430.530 1.915 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)c(F)c2)c1=O 477450323 RUKQNBQJHKEOBE-UHFFFAOYSA-N 448.317 1.779 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 478487746 XVLOINJVMPWPGQ-UHFFFAOYSA-N 427.505 1.969 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478747984 QKJWSKMECSLSRQ-HOTGVXAUSA-N 428.510 1.489 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 482839878 VDFIUOSHILQXAR-UKRRQHHQSA-N 434.468 1.898 30 10 IDEE N#CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 487177453 PWGXPIKSLNGOOX-HXUWFJFHSA-N 440.525 1.972 30 10 IDEE C=CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1nc(C(=O)OCC)cs1 501941299 BQFSNFVWAFYNOG-UHFFFAOYSA-N 429.458 1.098 30 10 IDEE Cc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cnn1-c1ccc(O)nn1 503698576 CKMRXOKHSUXIER-INIZCTEOSA-N 435.469 1.702 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 508643108 ZZBHVVKRAZIBHZ-FQEVSTJZSA-N 429.484 1.852 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cs1 522674780 IBYAAABTWMBESJ-HNNXBMFYSA-N 429.567 1.980 30 10 IDEE COc1ccc(Cn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)cc1 522674985 VTVUKBYAVBRKKU-UHFFFAOYSA-N 434.521 1.572 30 10 IDEE COCCn1cc(NC(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cn1 538296962 VNFKPEQIIBTORL-SFHVURJKSA-N 436.476 1.193 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCSC)c2=O)c1 540696317 JSXQXVUGKGCTEM-UHFFFAOYSA-N 446.598 1.260 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 549641056 GYYCHZNCIAOFFT-KGLIPLIRSA-N 438.558 1.039 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@H]3CC(F)F)CC2)cc1 561386235 AFTHQUVIEDBLJI-INIZCTEOSA-N 427.473 1.842 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CCS(C)(=O)=O 573750448 QYYXOQVOWRHIOY-GOEBONIOSA-N 427.548 1.041 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cc1 603797618 DXXCLOFGWCUFCJ-IBGZPJMESA-N 437.565 1.777 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@H]1CCCO1 609739129 ALIZRBKPBQOWJE-MRXNPFEDSA-N 427.501 1.342 30 10 IDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)cn2)cc1 610480048 VZYLSCSOHNPWLY-LJQANCHMSA-N 449.467 1.580 30 10 IDEE CCn1nc2c(cc1=O)CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)CC2 611429944 HYVDYPNPMKXBHN-OAQYLSRUSA-N 438.507 1.169 30 10 IDEE CC1CCN(c2nnc(S(=O)(=O)Cc3ccnc(C#N)c3)n2C[C@H]2CCCO2)CC1 618559964 YUWXEMYYAASVKR-GOSISDBHSA-N 430.534 1.934 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 619741485 JJJBGIQFNUXHGJ-XMSQKQJNSA-N 449.559 1.904 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(=O)N(C)C)c1=O 642895137 BNOFSIQYGYWNRJ-UHFFFAOYSA-N 443.500 1.018 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 680463933 VKLKAPZJZIQMTP-KRWDZBQOSA-N 437.562 1.365 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 729334085 IPRUVVRRYBIMGZ-CABCVRRESA-N 429.464 1.966 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCSc2nnnn2-c2ccc3c(c2)OCCO3)c1 753940979 ZSRWQYPBUJPCQJ-UHFFFAOYSA-N 429.483 1.871 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)NCc1ccc(C#N)cc1 755184647 HNSHCSOYWAVCFC-KRWDZBQOSA-N 444.488 1.233 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2ccc(CC#N)cc2)c(N)n(Cc2ccccc2)c1=O 758688234 JSNIKJNHZOUWPI-UHFFFAOYSA-N 446.463 1.766 30 10 IDEE C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)c1 761731051 CKJUGVNMXMXUCT-UHFFFAOYSA-N 425.470 1.547 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1 768512882 KBRYQFOGGYWHFW-ICSRJNTNSA-N 445.928 1.953 30 10 IDEE CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(-c4ccc(F)cc4)c3=O)ccc21 774521824 DYQZMBIKAGXHEJ-UHFFFAOYSA-N 430.464 1.974 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 774920265 NUTJLQVKJUACCU-IBGZPJMESA-N 442.497 1.657 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)Cc3cccc(F)c3)C2=O)cc1 785248250 AEYCXPPPSOJUTP-KRWDZBQOSA-N 444.444 1.549 30 10 IDEE CC(C)=CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 790708623 JHZUOHSUCYRBDZ-KRWDZBQOSA-N 431.562 1.751 30 10 IDEE CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 798553904 JHRHQIGNZLAJNL-MRXNPFEDSA-N 449.916 1.669 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 806125105 BCEQQFDIDMBDIP-ZDUSSCGKSA-N 444.453 1.130 30 10 IDEE COC(=O)c1ccccc1CC1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 813636029 CEYNQVXFWDCWFJ-MRCUWXFGSA-N 440.500 1.964 30 10 IDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cn1 1084598510 OYEMIJDQPHVCPE-UHFFFAOYSA-N 444.481 1.854 30 10 IDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1125700353 BAOLSJKXZKYGIL-SFHVURJKSA-N 435.484 1.167 30 10 IDEE O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1134620075 AUWDKGVAXCRAQC-HTQZYQBOSA-N 445.270 1.701 30 10 IDEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1155806046 FOQBLTNZSCGUCM-CQSZACIVSA-N 430.486 1.277 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1180362839 KKWDUYUWPCUHPQ-FUHWJXTLSA-N 435.502 1.684 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1228007036 ADIIBSDYZWRQAW-GOSISDBHSA-N 445.516 1.791 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286338240 JKNSBOGPQFIVBR-LJQANCHMSA-N 436.564 1.555 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1286420140 MLKFIKONDBAKFQ-QGZVFWFLSA-N 447.536 1.912 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(O)c2)n1 1286471397 MJLSAJVKYFMELY-HXUWFJFHSA-N 449.515 1.466 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286477304 WJBPVDXAWDFSTM-INIZCTEOSA-N 434.470 1.375 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1286490729 QIERGDFLXJDFAI-SFHVURJKSA-N 427.597 1.147 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1286521633 BKAGGMTYLROKKG-LAUBAEHRSA-N 427.530 1.320 30 10 IDEE C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286534567 GBYYAPUQUOAXLW-OAHLLOKOSA-N 436.310 1.814 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1286779511 UQZFWLYEOGBHMP-LJQANCHMSA-N 439.564 1.824 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCS(=O)(=O)CC1 1286782755 FJCAAMCFZQUXIL-UHFFFAOYSA-N 431.562 1.780 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)NCC)CC1 1286783353 PGHLIXIHUZCLAI-UHFFFAOYSA-N 425.537 1.661 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1286786145 YPBPPZRHHSQZNT-KRWDZBQOSA-N 441.580 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1286787627 XSQNGRVWVSXCJI-INIZCTEOSA-N 426.525 1.170 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](CC)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C 1286825188 NALPAQZBPXERLW-MSOLQXFVSA-N 439.626 1.723 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1286830759 QNCZUAAHOPUQIN-QGZVFWFLSA-N 447.609 1.875 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)S(C)(=O)=O 1286984001 ZJJKKVRVGAEFRV-VWKPWSFCSA-N 447.561 1.880 30 10 IDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1290266288 CDHXEHFGTOASGY-OAQYLSRUSA-N 443.529 1.435 30 10 IDEE CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1291648945 DQLGLUVHZMEHPP-MYVXHDQYSA-N 427.552 1.228 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1 1296958419 DEXLWSKPGUFAGX-UHFFFAOYSA-N 433.534 1.228 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1300404092 VWCUKVOAPLXTJR-UHFFFAOYSA-N 433.516 1.697 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301588921 LVHUOYOBHUNELG-KRWDZBQOSA-N 439.582 1.078 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1302496674 YMIBHEWUHSIUIY-OALUTQOASA-N 444.561 1.904 30 10 IDEE N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)sc2c1CCC2 1307678238 FRJJDIARCTXRNP-UHFFFAOYSA-N 434.547 1.167 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OCC 1309506813 HZQOGDFZBKYQCX-GFCCVEGCSA-N 425.429 1.493 30 10 IDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@H]2C)CCC1 1313975860 GHFJQBGZADNMIQ-MRXNPFEDSA-N 435.532 1.790 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 1319390448 BPAIYYFHWBXKPH-OAHLLOKOSA-N 436.537 1.712 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)cc1 1354942648 MDKHAKYGJBUQHD-SAGAUJLNSA-N 445.538 1.745 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCC(C(=O)N(C)C)CC2)c1 1357766246 AYQUWSBRIDRKOD-UHFFFAOYSA-N 425.529 1.754 30 10 IDEE CCn1c(NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)nc2cc(C#N)ccc21 1358193044 YTAIVBNCWKSWMK-MRXNPFEDSA-N 426.477 1.944 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358961437 ZCMBQRLICADJNM-QGZVFWFLSA-N 425.514 1.664 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1358978334 JSBNIFYRVJVSQJ-ICSRJNTNSA-N 437.569 1.704 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC1 1359024154 GKVHENKIHXVGEF-GOSISDBHSA-N 425.537 1.575 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNC(=O)C2CC2)CC1 1359038252 PASJQHQSOBCJFZ-UHFFFAOYSA-N 436.560 1.353 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCS(C)(=O)=O)CC1 1359165126 HLIQNGMBRAAWJN-MRXNPFEDSA-N 430.596 1.552 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@H]1C 1359215981 NBRJTJUPAKWPPP-PMPSAXMXSA-N 429.612 1.907 30 10 IDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359247362 ZWFAUNCUUKWSCW-VQTJNVASSA-N 440.566 1.023 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1359281311 VLOAQFOKOJLFKS-INIZCTEOSA-N 434.541 1.735 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359302097 WRLQVMKZADDETQ-QGZVFWFLSA-N 441.467 1.580 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359333759 IQWRJRFQPSBKAL-APWZRJJASA-N 431.562 1.868 30 10 IDEE C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451445184 LAGIGTMMZKLDCB-JKSBSHDWSA-N 436.553 1.708 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1471311033 LIFUOJFDABGAHL-IBGZPJMESA-N 443.529 1.708 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1494334676 PRUXDFPZHNKXTC-VAKVLEPSSA-N 430.509 1.312 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1495808013 DMQMYCLIUZZLBP-RMYFCYLKSA-N 437.495 1.705 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1499685469 JDBLVSQRQIZERF-UDJKBAMHSA-N 426.477 1.988 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1504823494 NKVWNTCRFNYYFV-UHFFFAOYSA-N 446.515 1.674 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507630770 HDMLYLSEHYAFDG-GOSISDBHSA-N 441.561 1.804 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@H]1C 1507654195 XPBLPBBQFBLLHC-UXHICEINSA-N 431.606 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)n1 1507664720 DZDSLGIQOBJZRN-UHFFFAOYSA-N 428.500 1.478 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507783804 FEZIIVIQSLTSLQ-UHFFFAOYSA-N 426.319 1.601 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507808358 YGSCUTFETFDOAN-AZUAARDMSA-N 446.577 1.327 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507847906 RTMRRJGCZDZKEA-NQIIRXRSSA-N 430.597 1.812 30 10 IDEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1)c1ccccc1 1507924097 IQMJNGOMOXSYID-DSLXNQLJSA-N 447.561 1.810 30 10 IDEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507941475 KOGXTOHONOEMFR-INIZCTEOSA-N 442.495 1.500 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)N2CCSCC2)C1 1508110276 SIONIBMXRKPIQG-IAGOWNOFSA-N 443.639 1.952 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1509552924 FTXHXFHUIVDLCO-HXUWFJFHSA-N 442.539 1.972 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCSC1 1512357294 ATIBZJWVPCGMRV-ZHRRBRCNSA-N 439.589 1.921 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1512574356 BRWXJRNTNZHTBA-QVKFZJNVSA-N 445.545 1.370 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514285187 HYQJSVONEZMLQU-CMKODMSKSA-N 443.596 1.901 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1516635085 AAKYPEZWAFQBJZ-GOSISDBHSA-N 446.577 1.961 30 10 IDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CCCOC1 1524354258 UPLROAMPFGOPPM-QGZVFWFLSA-N 431.436 1.859 30 10 IDEE C#CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1CC)[C@@H]1CCS(=O)(=O)C1 1530297893 PUJLNCTYJLCSMX-QGZVFWFLSA-N 430.530 1.879 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539120693 YKGSYCUOHCRHIK-GOSISDBHSA-N 443.577 1.489 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539212265 OHIPZTMLUSBWFR-ZWKOTPCHSA-N 431.562 1.813 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539360048 YFGZBZQCEOUKMU-NRFANRHFSA-N 425.514 1.502 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1539557235 NOQBIRBJLGOJMM-LAUBAEHRSA-N 433.578 1.479 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1539599209 AFKZULPQAUVXPR-AWEZNQCLSA-N 443.371 1.942 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540198895 SRGVILZIGVELPO-IAGOWNOFSA-N 427.571 1.092 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1540862337 ZFOCNOPQGIRXFU-KRWDZBQOSA-N 448.474 1.575 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2NC(=O)CC2(C)C)C1 1540896249 JCNMBUXTVFAHAY-ZMMAXQRCSA-N 433.553 1.698 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1556823491 YRZRPXUKQTWGHV-VGOFRKELSA-N 427.505 1.485 30 10 IDEE CNC(=O)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1567607575 HALGLASLXRSNGE-SFHVURJKSA-N 427.505 1.876 30 10 IDEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2 1568814643 YHLIWSGRABRCRS-KRWDZBQOSA-N 430.530 1.549 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](C3CC3)C3(CO)CCOCC3)C2=O)cc1 1570873134 CBMGFPHSZIIKSJ-QUCCMNQESA-N 440.500 1.447 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1587988843 CQXVBMKJYSKAHP-MRXNPFEDSA-N 430.513 1.338 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccn(C)n1 1588432544 BDEGMELXMKJYBC-UHFFFAOYSA-N 432.576 1.884 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1588673568 SQPFSWMRAZIJHV-SFHVURJKSA-N 434.566 1.051 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCOCC)CC1 1588806441 QRZVWHPNBJXGKB-UHFFFAOYSA-N 435.532 1.467 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C(C)C)C1 1588986169 ZFOXDXHYWMRNDK-CABCVRRESA-N 431.653 1.833 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589530859 YVBZUCUSWJHGFM-QRQLOZEOSA-N 429.525 1.001 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1595784096 CIUZBBMDKFZBKJ-QGZVFWFLSA-N 434.566 1.411 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)NC(C)(C)C 1595798896 VEKSJPVSHSIJMF-HNNXBMFYSA-N 427.571 1.124 30 10 IDEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCOC1(C)C 1613021122 FOIGPLOIRJVDJA-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE CCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1614022797 JTLQDLUDVJDXNJ-VLUKHXRESA-N 441.458 1.440 30 10 IDEE CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1617326939 GGHKDUAOQZDZMA-INIZCTEOSA-N 428.518 1.514 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCO[C@@](C)(C#N)C2)CC1 1617895205 LMDYVMGTCUAFMJ-FQEVSTJZSA-N 435.502 1.015 30 10 IDEE CC(C)(C)OC(=O)N1CC(c2[nH]nc(C(=O)NCCC#N)c2I)C1 1618219133 MRSGHHZNYVQFJE-UHFFFAOYSA-N 445.261 1.992 30 10 IDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1618416737 RHCCEPYXSKNRGE-ZDUSSCGKSA-N 432.546 1.921 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OC(F)F 1619279658 BMRUYXXJHISDOS-KBPBESRZSA-N 448.430 1.616 30 10 IDEE COCC1=CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1619671716 TWKFRKKJWGTHSD-KDDVOAFDSA-N 428.493 1.439 30 10 IDEE CS(=O)(=O)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1620162329 ARDFMFINWZIFGB-UHFFFAOYSA-N 427.534 1.691 30 10 IDEE C#CCN(CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CSC1 1620320755 LVMDTQFNWITUSH-UHFFFAOYSA-N 433.599 1.801 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)F)CC2)o1 1620350801 MDTPGAYJNZPFPJ-ZDUSSCGKSA-N 440.476 1.080 30 10 IDEE C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1626708348 LJXVGFLKLHTYBU-CRAIPNDOSA-N 431.537 1.902 30 10 IDEE N#Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(F)c1 1627313204 XCSVECJYSISHKH-UHFFFAOYSA-N 433.461 1.843 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccc(Cl)c(I)c2)c(=O)nc1O 1630495882 JSCNHTUJEFYRQK-UHFFFAOYSA-N 430.589 1.717 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCC(C)(C)CC#N)CC2)cc1 1636029370 RCRZVWMKUIXVER-UHFFFAOYSA-N 437.566 1.386 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)CC1 1636480575 RZHHRHDFWHJJEO-MRXNPFEDSA-N 442.582 1.024 30 10 IDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1636890040 ZELMHYMOTYWIHE-MUUNZHRXSA-N 444.506 1.039 30 10 IDEE C#CCN1CCC(NC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1638678484 KRSFSCCIHKWSHH-UHFFFAOYSA-N 427.567 1.015 30 10 IDEE CC[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 1641101689 XGHFKQWLOKDHAW-CQSZACIVSA-N 438.550 1.925 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN=S1(=O)CCCC1 1644049784 DGXXPDLHCSRTFO-MRXNPFEDSA-N 440.591 1.662 30 10 IDEE C#CCN1CCC(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)CC1 1645432195 COFHBENBKVCENY-IEGUWTFLSA-N 433.549 1.637 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 1653868281 MVVFKXDGTQRDAE-IBGZPJMESA-N 432.546 1.642 30 10 IDEE COc1ccc([C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)c2cccc(S(C)(=O)=O)c2)cc1 1655191246 CBXABYYZAUQIRR-SFHVURJKSA-N 440.481 1.559 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)C(=O)CCO4)C2=O)cc1 1655204505 HLPQQMXPQKIQHP-GOSISDBHSA-N 425.466 1.603 30 10 IDEE C#C[C@H]1COCCN1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1672532890 MJMOLSMHXJERLW-ZDUSSCGKSA-N 430.324 1.079 30 10 IDEE C=CCOc1ccc(CNC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1672604891 KUGZOXFTFVNGRZ-BQIYRTECSA-N 436.530 1.950 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1672906800 ZEMVOEYWVURVAZ-KSZLIROESA-N 436.553 1.973 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCSCCCO 1689948751 DXSLLQWOJAXHBM-UHFFFAOYSA-N 436.607 1.732 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690022376 CEEMBUXAVLCYCI-UHFFFAOYSA-N 433.537 1.930 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1690122402 PUAVEGLZVCIWRF-IFMALSPDSA-N 449.603 1.895 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Cc2ccc(OC)cc2)CC1 1690122559 VJSDJNUECBKLRV-WIYYLYMNSA-N 436.560 1.872 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCn2cnnn2)CC1 1690139644 VMLBJHSNLBMHFI-UHFFFAOYSA-N 447.547 1.550 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690316775 MLWIPBFQYMLPQU-QGZVFWFLSA-N 430.553 1.488 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1690678272 QFVKOONYCIDBIW-OAHLLOKOSA-N 436.557 1.608 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2(=O)=O)C1 1690684425 FSZMLLRYFWACKS-HOTGVXAUSA-N 425.555 1.165 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690752381 GLCBEMAUSATONF-ZWKOTPCHSA-N 434.610 1.792 30 10 IDEE CO[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(F)(F)F 1697142105 OPXHPYTVXFKRAN-HNNXBMFYSA-N 438.410 1.632 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CCO1 1698493584 NATQOKJMSSBRTC-AEFFLSMTSA-N 437.566 1.648 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1705560728 MWZVJFNOLIWGQT-DLBZAZTESA-N 436.578 1.746 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1705567302 VXGIAWUQARZGOW-ZBFHGGJFSA-N 445.574 1.566 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1705638362 ICIJAYJICBVHHF-SFHVURJKSA-N 440.514 1.954 30 10 IDEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1705665286 PTBHLRCTHNUEMX-UIFIKXQLSA-N 436.578 1.681 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705666973 ZKVNZQHSMFAZQR-JOCHJYFZSA-N 441.557 1.949 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1705668975 YGQHBXMQUXYHHP-HRAATJIYSA-N 434.610 1.755 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1705832034 LIGLWQYGVIDNMQ-UHFFFAOYSA-N 443.527 1.854 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705907313 IGDJJVPFLBIASW-OAQYLSRUSA-N 433.560 1.932 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccco1 1706162226 UTWRINBVWJMJBK-SJORKVTESA-N 444.492 1.957 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1711009632 DCZGTOHLVGJUTH-OAHLLOKOSA-N 436.520 1.910 30 10 IDEE CO[C@@H](CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1711533306 OQQDENFKIZKAMQ-HOCLYGCPSA-N 436.442 1.879 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1712620311 IMJFSQKYOSLQHH-QFIPXVFZSA-N 440.504 1.251 30 10 IDEE O=C1CC[C@H](c2nnc(N3CCC[C@H](C(F)F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)N1 1712914293 HXLZHLLEZWBQBS-FNLIHQSHSA-N 449.462 1.237 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722315999 YMDGTPCPWQPQJK-IBGZPJMESA-N 435.532 1.458 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722326091 QYJVSXIDEMXJEY-INIZCTEOSA-N 429.546 1.819 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1722351052 GAUMUTHKDKSEKO-QGZVFWFLSA-N 437.953 1.577 30 10 IDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1722372287 SZDJHKYERWKWGW-SFHVURJKSA-N 444.557 1.626 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(CC(C)C)CCO1 1722401415 XBEGZFWUAKPGTI-JOCHJYFZSA-N 437.592 1.959 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)cc2OC)CC1 1722429026 FXINGKVGAMZZQD-UHFFFAOYSA-N 426.521 1.237 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)c2ccco2)CC1 1722429079 GTTNALUWSUCLDN-JOCHJYFZSA-N 428.537 1.452 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(COC(C)(C)C)on2)CC1 1722429922 UUROJURUVYAOCL-UHFFFAOYSA-N 443.552 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@H]2C)CC1 1722448708 XQXMAAJOYWKQBV-YZGWKJHDSA-N 429.565 1.811 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccn(CC)c2=O)CC1 1722574186 HBAFQSIHRLLPMQ-OAHLLOKOSA-N 434.566 1.521 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703831 JDAPHUSMGHIOGE-KSSFIOAISA-N 447.458 1.388 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C(=O)NC)cc1 1722705630 GBELRAKZVHURLQ-YJBOKZPZSA-N 426.521 1.661 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1722763837 GTFQLGCPCAIXOC-QZTJIDSGSA-N 434.566 1.179 30 10 IDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1729022722 FSJNBNIXSKLRLV-HRAATJIYSA-N 429.500 1.925 30 10 IDEE COC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1729795795 KNRBECTXQKPPKU-HTXNQAPBSA-N 443.508 1.351 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@H]2OC)c1 1730022403 DVNMBDQZULXQJC-CWFSZBLJSA-N 443.504 1.743 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)NCC=C)c1 1740562906 OFLPOSRKKFQGHD-LJQANCHMSA-N 436.516 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CC(=O)N(CCOC)C1 1740643870 VFFUAFSXTNVHJI-FQEVSTJZSA-N 444.539 1.849 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCN(C)C1 1740683990 HWGFXZLSYHZIRP-QHCPKHFHSA-N 436.516 1.753 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2c(C)noc2C)CC1 1740706419 XKFLXMNZTZPLFK-GOSISDBHSA-N 426.521 1.595 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC(C)(C)C1 1740955110 LZILRMJGOHKKRD-UHFFFAOYSA-N 439.549 1.555 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCS(=O)CC1 1740993509 DHXFKTYNXYFHHO-UHFFFAOYSA-N 442.538 1.166 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1741724047 OJUUBCNOYYKWQS-ROUUACIJSA-N 429.518 1.195 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC(C)CC2)CCO1 1748209076 CUZQGMKLJISIMZ-FQEVSTJZSA-N 437.548 1.500 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748635745 WYQYHIOXKBWHIP-OKZBNKHCSA-N 448.593 1.176 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(CCN(C)C)CC1 1748647720 SHSBUGPWVAANJV-AUSIDOKSSA-N 432.613 1.662 30 10 IDEE C#CCCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1748731157 VYGRQLCYEGLAII-NHCUHLMSSA-N 436.578 1.749 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1748751186 CUWQXWWZUZKUST-SFHVURJKSA-N 439.545 1.187 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1748784659 QTTNOZXGZNIUGR-GOSISDBHSA-N 449.559 1.713 30 10 IDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748805859 XEPXHFNUUWPHPF-RBUKOAKNSA-N 443.573 1.535 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748812622 YDVZATFALDJZOP-KRWDZBQOSA-N 428.493 1.493 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1748956746 IDXHHWUGWWFURY-UHFFFAOYSA-N 427.505 1.289 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)C(C)C)CC1 1749009857 WNSVZRBTRZRSIE-UHFFFAOYSA-N 437.548 1.387 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749037139 BFIYNHOZTZEVDG-SJORKVTESA-N 441.623 1.652 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749049183 FMOLUYOUQVDXCN-OAQYLSRUSA-N 433.578 1.496 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1749462100 NIFMHCIMMAOBAG-HNNXBMFYSA-N 435.479 1.904 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1749594562 MKTCCLHDKFCBDD-UHFFFAOYSA-N 430.534 1.491 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1749676599 WMKHAMWJHFSAKZ-UHFFFAOYSA-N 428.512 1.615 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)N(C)C)C1 1749711975 DZKOAUATKSIKSG-GUDVDZBRSA-N 439.626 1.938 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749728956 WDZNTLLEDYYUOQ-SFHVURJKSA-N 439.520 1.806 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCS(C)(=O)=O 1749806053 GHDIMQVDRRIYAB-UHFFFAOYSA-N 443.533 1.248 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1751171445 HEKCRCQNIFYJAR-STXHMFSFSA-N 433.534 1.226 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1752278633 LTRKTTXPWCJRFX-KSFYIVLOSA-N 440.504 1.201 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1760098955 XXUVHTKCBBRQII-HOTGVXAUSA-N 427.534 1.580 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1760198825 JTLHEVXINUSVKG-CTNGQTDRSA-N 428.500 1.975 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1760205441 BJJCONDWVUOGPV-NRFANRHFSA-N 448.552 1.546 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CC[C@@]3(CCOC3)O2)n1 1760252589 RYPGSBUNWZVMNV-KNQAVFIVSA-N 428.537 1.661 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1760270860 CPIUAMJMOIBSDO-QGZVFWFLSA-N 436.516 1.729 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760277260 FOFZWDMKIDVODL-INIZCTEOSA-N 444.586 1.653 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1760290695 NGKMGQKULQCALT-WMQCIHAUSA-N 436.578 1.890 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)N2CCOCC2)CC1 1760403986 NOTDKXMKBQWPGG-UHFFFAOYSA-N 432.569 1.848 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760519908 UFAXOMMOYWGXLK-MRXNPFEDSA-N 440.529 1.419 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760525513 IFBDDMRXTKLDRB-QGZVFWFLSA-N 442.549 1.038 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OCC)CC1 1760552179 FLMCNQSGFDIZBJ-UHFFFAOYSA-N 436.538 1.163 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760554270 XRMYHLNFEUWORS-UHFFFAOYSA-N 433.582 1.202 30 10 IDEE CN(C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1766925670 DGOSFGIEGLWBQP-RBUKOAKNSA-N 444.561 1.019 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1 1767097002 HEBXKSDEUKPSAI-PGRDOPGGSA-N 430.601 1.572 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1767214438 WLHVFKLXMQFPRG-UHFFFAOYSA-N 447.490 1.357 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767224408 JXEGVFCYPMBXKC-SFEXGQDGSA-N 444.536 1.704 30 10 IDEE Cn1nccc1CN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)C1CC1 1767532106 MJRCFHMKJVGFBC-UHFFFAOYSA-N 425.518 1.764 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1771272314 IFUBTMVWJYOCBG-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1772564807 SGNFCOZZCCRUFG-GFCCVEGCSA-N 430.456 1.854 30 10 IDEE C=CCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(=O)c2ccccc2)CC1 1848511570 LJJPPAMDZRYUBQ-UHFFFAOYSA-N 427.526 1.526 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)OCCN2CC3(COC3)C2)[C@H]1c1ccc(C#N)cc1 1848993516 FJRKILZNYAEEPJ-WOJBJXKFSA-N 429.542 1.827 30 10 IDEE N#Cc1cc2c(cc1CC(=O)NC[C@H](c1ccc3c(c1)OCO3)N1CCOCC1)OCO2 1853327796 NVODPJJZAPYRKG-GOSISDBHSA-N 437.452 1.748 30 10 IDEE C=CCN1CCN(C(=O)CCONC(=N)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 1853562821 GBHJLSVBTAUUJV-IBGZPJMESA-N 427.549 1.821 30 10 IDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1=O)CC2 1856524647 IFWFZSBUSNJYOW-YOEHRIQHSA-N 435.933 1.867 30 10 IDEE C=CCC[C@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC3CCCC3)C2)CC1=O 1856842853 YRMSDBLNVKEELS-HKUYNNGSSA-N 425.595 1.854 30 10 IDEE C[C@H](C(=O)O)N(CCC#N)C(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866341363 JRTRFSIQFQIJFC-CYBMUJFWSA-N 430.417 1.967 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 1984785802 HFLURJZRCIWHIZ-XCLFUZPHSA-N 425.482 1.483 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2010399213 QVOSDPQDIGYWLF-KGLIPLIRSA-N 425.335 1.840 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625821 ORXAGNMABPTPSH-KGLIPLIRSA-N 434.302 1.254 30 10 IDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254752710 SSLOQTUYWHWHQW-CYBMUJFWSA-N 440.277 1.965 30 10 IDEE CCc1nn(C)c(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626864 LIHWKYSQHYIOME-KBPBESRZSA-N 434.346 1.677 30 10 IDEE CCn1cc(C(=O)NOCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815973 WUFJBFPAMPHVOE-UHFFFAOYSA-N 438.334 1.778 30 10 IDEE CO[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255826405 ANDCTPVBHHTBHK-UONOGXRCSA-N 436.318 1.073 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255839751 CXCLNTGWZWMWLR-UHFFFAOYSA-N 435.334 1.053 30 10 IDEE C[C@H](N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)O 2255866655 TXHRPLWYQDRTPD-HNNXBMFYSA-N 428.342 1.916 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2255875261 VJUMUGUXQYNGIT-SFHVURJKSA-N 429.248 1.607 30 10 IDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256595961 RUEIDQRZZQJUHD-AWEZNQCLSA-N 436.318 1.562 30 10 IDEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)[nH][nH]1 2256678834 QSKNYBCESZCGKG-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2267188053 HAXIIIGGJPQXOO-HSZRJFAPSA-N 440.353 1.086 30 10 IDEE CO[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267225343 VGSATCXTRQZKAF-CABCVRRESA-N 448.329 1.140 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2267600273 CWMQRHUHHVJHTN-JKSUJKDBSA-N 449.357 1.424 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2268633365 BXLXVLLBQBBLAE-GOSISDBHSA-N 446.353 1.756 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)n1 2270590556 GVIWAQWVWIJTGF-UHFFFAOYSA-N 441.259 1.972 30 10 IDEE C=CCCC1(C(=O)O)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2281049916 FHLSONCSZCIVIS-UHFFFAOYSA-N 434.514 1.991 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315646305 RPFKRTNPAMXNFY-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE COC(=O)CSc1nnc(C)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2321168371 ZLIYRADKCCBEKK-UHFFFAOYSA-N 449.533 1.453 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH]nc1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2327380271 NYFBFCUMSRBNII-UHFFFAOYSA-N 432.290 1.709 30 10 IDEE CN(C)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327842764 DXXWIJXEFPDVOO-HNNXBMFYSA-N 443.577 1.918 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN[C@H](C(=O)C=Cc2ccc([N+](=O)[O-])cc2)C1 2328106975 GEHGACARJUFSGH-QUCCMNQESA-N 436.468 1.844 30 10 IDEE CC(C)(S)[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2338843368 RZZZLVDYIMQMSU-HNNXBMFYSA-N 442.559 1.924 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CCO)COCc1ccccc1 2343462050 MDQSUFONCVYRAJ-SFHVURJKSA-N 443.353 1.725 30 10 IDEE COc1cccc(/C(C)=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)c1 105382257 UDNWKBNNAUQHAW-LSFURLLWSA-N 441.477 1.074 30 10 IDEE CN(C)CCN1CCC(Nc2ccc(C#N)c(NC3CCN(CCN(C)C)CC3)n2)CC1 436313932 PYTRQROIQDHPFQ-UHFFFAOYSA-N 442.656 1.829 30 10 IDEE N#C[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 471153135 FDLKYSVPDLPESP-FQEVSTJZSA-N 437.569 1.915 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 479869900 BGJAGXDDEAQQAX-KBPBESRZSA-N 435.527 1.506 30 10 IDEE N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1nccc2ccccc12 483210389 LSYNZMXSXYQLJP-LJQANCHMSA-N 434.477 1.845 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1)c1ccccc1 488120751 QWHJMAAPUGNVSH-SFHVURJKSA-N 435.505 1.848 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501417546 LGMHWSNAPGHMBN-PMACEKPBSA-N 434.496 1.661 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 506215172 NCMCDEDVQOFXNH-JOCHJYFZSA-N 439.520 1.568 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 507077637 HUTKSGZRVZZLSU-KRWDZBQOSA-N 427.501 1.318 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 541193724 JXOOFQYFFROZQB-RTBURBONSA-N 449.515 1.278 30 10 IDEE CC(C)(C)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1O 541617232 BAXJYUAPEOVTHH-MOPGFXCFSA-N 448.589 1.120 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCCO1 559896893 CKKSJUUAPHCJQN-QGZVFWFLSA-N 443.956 1.868 30 10 IDEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 569142250 HUAJNDORPZTQGE-UHFFFAOYSA-N 446.519 1.348 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 572446535 ZQVRMDRLEOJGGS-OAGGEKHMSA-N 429.612 1.907 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(F)c1 609253602 DASGZNZQRPAMDA-UHFFFAOYSA-N 426.477 1.794 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)s1 729673627 YGZPZNVJYJNOCU-UHFFFAOYSA-N 436.580 1.197 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 732662929 FIXQDOJEBXMYNC-UHFFFAOYSA-N 448.529 1.442 30 10 IDEE N#Cc1ccc(CNC(=O)COC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 746747579 VZLKRMZJJPETHS-QFIPXVFZSA-N 446.463 1.193 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)C1 758769764 JNSLKEAPQADDKM-ZOBUZTSGSA-N 433.484 1.528 30 10 IDEE C[C@H](NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 767633459 BUEYIWRHLFDMQM-UONOGXRCSA-N 433.461 1.785 30 10 IDEE C=CC[C@]1(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CCCN1C(=O)OC(C)(C)C 791719756 LDKXCRXRXAABOS-WJONJSRFSA-N 437.537 1.988 30 10 IDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCCO3)n1 807934602 IAMCOPOJOXVIDP-QGZVFWFLSA-N 442.501 1.387 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 811830334 KBQYOLLALNGYIW-FQEVSTJZSA-N 426.494 1.949 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)Cc1ccc(Br)cc1F 1116022963 GZQVMFXGTUGIPF-PFONDFGASA-N 432.271 1.534 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)n1 1128570988 WALVERLMBUTZAL-UHFFFAOYSA-N 444.557 1.664 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1129531333 DMKSEEOLCTXAGO-SJLPKXTDSA-N 428.489 1.663 30 10 IDEE COCCNC(=O)Cn1cc(NC(=O)COc2ccc(C#N)c(Br)c2)cn1 1137089791 ZFSBDHXKJKDEHJ-UHFFFAOYSA-N 436.266 1.297 30 10 IDEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1143421531 ZUHNYWYXCOPTRE-MRXNPFEDSA-N 444.513 1.189 30 10 IDEE CCOc1ccc(C(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1161797207 LJFTUOZOGDLYME-UHFFFAOYSA-N 425.441 1.719 30 10 IDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1163652643 WACKKQZROPEBCS-NHCUHLMSSA-N 430.516 1.884 30 10 IDEE COc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1=O 1189869181 QZSFPGPKHQYJQJ-QGZVFWFLSA-N 429.408 1.313 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)n1 1209264164 XFPHCHGWVAFXAR-UHFFFAOYSA-N 437.547 1.987 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1286296661 QODNWAFPCFEMAZ-LSDHHAIUSA-N 425.555 1.553 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286388134 YOKYXEJHOPPXOU-MRXNPFEDSA-N 444.561 1.272 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286394932 QGFLZDTWPKHNGF-UYAOXDASSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1286401029 MYQMNZRTERTZSJ-QFIPXVFZSA-N 441.557 1.883 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1286514792 PVHHODVQVDRPKM-QZTJIDSGSA-N 434.610 1.533 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286601504 LKJQJIICRPHUJX-BBWFWOEESA-N 432.525 1.345 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286710164 OJBCYVAIQVRFAL-LJQANCHMSA-N 438.532 1.784 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286793729 KRPPWQJMDNNPIW-JFIYKMOQSA-N 445.568 1.055 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)COCCO2)C1 1286798027 GHDBRXFPPTWBJJ-IERDGZPVSA-N 428.493 1.512 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCO2)C1 1287073512 HVPXLOHKUBRDIJ-TWMKSMIVSA-N 432.525 1.957 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1291230748 IDGFIKWSGFTMBR-STGLLQLASA-N 427.534 1.752 30 10 IDEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)COc2cccc(Br)c2C#N)cn1 1296322461 CLCYCIBGYHIMJZ-QWXGXRTQSA-N 437.319 1.765 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1299458249 YHXKKHWTHNWAMC-UHFFFAOYSA-N 428.493 1.780 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)S(=O)(=O)CC 1300305702 ZCROXYMFPFZVPO-AWEZNQCLSA-N 436.538 1.135 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300495483 IAKQPKJYYFWLRY-ICSRJNTNSA-N 443.573 1.745 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCO[C@H]2C)CC1 1300723572 WJVSTOCALVSCHF-GAJHUEQPSA-N 438.532 1.154 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1300743676 XMLURBILNGVXIL-OAHLLOKOSA-N 449.602 1.533 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1300756593 QOGBCMNVTKHEKC-QGZVFWFLSA-N 445.593 1.324 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1scnc1C 1300764665 ZTPGPLVHFLDXBZ-AWEZNQCLSA-N 425.605 1.948 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300879541 DUQNFEGHIDCAFZ-NXHRZFHOSA-N 449.581 1.178 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301507031 UIRBLZCSYQXTBQ-GAJHUEQPSA-N 441.532 1.564 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccccc2[C@@H]1C 1301584727 CPTYFCPPBHZSKY-YJBOKZPZSA-N 429.546 1.954 30 10 IDEE CCCNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1313484711 UFJAUEIFWXRMAM-GOSISDBHSA-N 442.593 1.727 30 10 IDEE CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314633284 PDDLTHCTZNIZJH-QGZVFWFLSA-N 425.493 1.533 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2cccc(C(F)(F)F)n2)cn1 1314898203 HJKMXTWAHFYREX-AWEZNQCLSA-N 448.409 1.900 30 10 IDEE COc1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 1347972499 ODYYFRZXRKYJMX-UHFFFAOYSA-N 431.470 1.849 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)NCC2CC2)c1 1358901519 NLCZBRPLICJCHY-UHFFFAOYSA-N 446.515 1.261 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)c1ccccc1 1358946876 LVXVHWUZHDYZRF-UHFFFAOYSA-N 427.486 1.549 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nnnn1CC1CC1 1358982329 RTKHIHYUBDIYDR-UHFFFAOYSA-N 430.516 1.992 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1358994188 HDRGPUKBQVEGCO-PMACEKPBSA-N 431.606 1.908 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@@](C)=O)CC2)CC1 1359031910 UDDGUECRWWASOE-SSEXGKCCSA-N 428.518 1.520 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1359070083 FCHHYOKOKHGWDP-HTAPYJJXSA-N 447.605 1.963 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1359150627 CLIKDUAXDRHXAE-GFCCVEGCSA-N 432.959 1.456 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNS(C)(=O)=O)CC1 1359158241 KMZZRQSKMHWZKT-UHFFFAOYSA-N 432.550 1.853 30 10 IDEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359219846 FVXBVBZNEFTFIO-HNNXBMFYSA-N 428.468 1.109 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCCCC1 1359298573 DRLQFAHIVNOPKF-UHFFFAOYSA-N 431.566 1.921 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359302485 JAYMMDUSWLQBRN-HNNXBMFYSA-N 437.470 1.639 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1359305403 BWZYNDRHDJQUGI-FGZHOGPDSA-N 435.569 1.874 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1359311072 PHGVZYNVAGRVLQ-QGZVFWFLSA-N 438.532 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1359328505 GEHUXPOHPXYBJO-FQEVSTJZSA-N 428.518 1.119 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1443514656 KJMBNXUVNUAERK-INIZCTEOSA-N 430.571 1.199 30 10 IDEE N#Cc1ccc2c(c1)CN(C(=O)CCCNS(=O)(=O)c1ccc3c(c1)OCCO3)C2 1452386624 XUGHOQIYDFCPAP-UHFFFAOYSA-N 427.482 1.930 30 10 IDEE N#Cc1cn(CCC(=O)N2CCC(c3nccc(C4CCOCC4)n3)CC2)c(=O)nc1O 1455053490 ZCGLKIOMJOCWKV-UHFFFAOYSA-N 438.488 1.301 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 1456927698 CEVMWDUXZROXAG-NRFANRHFSA-N 428.558 1.697 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 1461385200 HPXVWIMUECFLDE-QHCPKHFHSA-N 425.485 1.789 30 10 IDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1500891529 VZJKHZQXEOXGIO-SFHVURJKSA-N 439.564 1.890 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1503263216 ZXGDAHXTCXIQNV-IRXDYDNUSA-N 425.555 1.567 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1503280671 QQHLTANFYNDFQB-LPHOPBHVSA-N 443.577 1.429 30 10 IDEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)cn1 1503657444 FVRFUSBDCYNMTC-SFHVURJKSA-N 425.518 1.612 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1505040840 QEIVJBLDZJQRDC-QGZVFWFLSA-N 426.521 1.927 30 10 IDEE CSC[C@H]1CCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1505229994 VUPUYPAQDXABRU-NFSBEEMKSA-N 432.550 1.988 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1505324749 ORVSIDWVZUMFIE-RTBURBONSA-N 429.569 1.596 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1507600379 GAGPNWXSDVUAIS-MRXNPFEDSA-N 427.534 1.251 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1507644234 FBCSEKUZBJWHJR-UHFFFAOYSA-N 443.515 1.300 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507757172 QAGHLRJBIXYNSV-IEBWSBKVSA-N 434.610 1.170 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1507954850 QRBWWFMGACUTIM-LPHOPBHVSA-N 441.623 1.911 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508078415 YGAJEECSTHPKQQ-JOCHJYFZSA-N 443.573 1.825 30 10 IDEE COc1ccccc1-c1nnc(N(C)[C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1518423068 XBRBGMVTVZVNHU-RLBWVDARSA-N 438.488 1.705 30 10 IDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)CCOCC1 1518792857 HGDURPZEBJQVSM-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1519410160 GQAJLHYYHSWTLK-ROUUACIJSA-N 433.534 1.555 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)c1 1527477082 ZLYYNHSFRAEXOX-UHFFFAOYSA-N 447.538 1.795 30 10 IDEE COC[C@]1(CN(C)C)COCCN1C(=O)COc1cccc(Br)c1C#N 1536220510 CVEJQNCGDSEIKH-GOSISDBHSA-N 426.311 1.505 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCN(CC)C1 1539155549 XJFDXNJURGURGN-KRWDZBQOSA-N 429.594 1.958 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1539266223 NYMADDFEFUCQRJ-JOCHJYFZSA-N 435.528 1.710 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccc(OC)cc2)CC1 1539459918 SEWOPJUUWFZVSG-UHFFFAOYSA-N 449.559 1.983 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1539512940 HFIQYVRDGZPGRO-IAGOWNOFSA-N 432.594 1.728 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539804429 VPKDNQVZJOFQHD-CVEARBPZSA-N 439.973 1.983 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1cccc(Cl)c1 1540861770 GBKWRWJRIGLXNX-UHFFFAOYSA-N 446.939 1.985 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1540872926 GDMOVOIQBIMOSV-UHFFFAOYSA-N 425.537 1.261 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540917421 WEOVJZYYPPRUBY-DLBZAZTESA-N 443.639 1.809 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCOC)c2cccc(C(F)(F)F)c2)C1=O 1542606924 DHYFEJNQRZQUBL-AWEZNQCLSA-N 427.379 1.876 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(C)nc1I 1544571212 BNSRCNOQCMMNKU-JTQLQIEISA-N 437.245 1.037 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnccc1OC 1548174822 IJLLQGGSKWPKSE-UHFFFAOYSA-N 434.504 1.860 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(n2cc(N(C)C)cn2)CC1 1556785019 LAIVJBTVKKZEOV-OAHLLOKOSA-N 430.534 1.351 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1583812503 YUVAWMADVZLMRW-QZTJIDSGSA-N 428.876 1.377 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccncc2)CC1 1588124759 QDHGFESUPCSANN-UHFFFAOYSA-N 441.543 1.415 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc(C)cs2)CC1 1588891073 LBUPQFFFENFGPE-INIZCTEOSA-N 446.577 1.781 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1589135122 TUYUSMZCJZLTHG-FGZHOGPDSA-N 446.621 1.616 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)s1 1597024359 HBGSSRTXQFEHRC-LBPRGKRZSA-N 425.498 1.755 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1608234983 GHGKXFRSZXLVQU-QGZVFWFLSA-N 430.534 1.359 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)N(C)C1CC1 1611600772 FWEVCNHRAYBCDO-MWTRTKDXSA-N 437.548 1.913 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(CC(F)(F)F)CC2)s1 1616258787 ZDCANWMSKSHZLA-UHFFFAOYSA-N 425.498 1.898 30 10 IDEE CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1F 1618232931 GEDLOSXKUQVGMN-RDJZCZTQSA-N 427.484 1.624 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1619913487 FIAPEMHBQNQHBP-SIKLNZKXSA-N 426.521 1.968 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(-c4cccnc4)n3CCOCCCO)CC2)nc1 1620350940 PGWYQIKOADAHPO-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1622518670 JBAKLOPFODXBFW-HOCLYGCPSA-N 435.477 1.858 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1623654843 SJJFVUAWMYSDBD-AOMKIAJQSA-N 440.537 1.879 30 10 IDEE CC[C@@](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 1626332262 FYODMOZGAZURBB-NRFANRHFSA-N 429.498 1.474 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304338 LUQSIMLTZLLHHZ-BVUBDWEXSA-N 440.418 1.836 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCC1 1638392634 JGAHTFBZJVBOMP-UHFFFAOYSA-N 434.566 1.425 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nc(C(C)(C)C)nc2SC)CC1 1643372516 OWSQKJSSEVWJRN-UHFFFAOYSA-N 425.580 1.030 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1644583187 JSLRACPNYUPJBH-FQEVSTJZSA-N 429.498 1.621 30 10 IDEE C=CCCn1cc(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)nn1 1644966145 HGHUUPHNLMVSSI-OAHLLOKOSA-N 433.509 1.917 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CN=S(C)(C)=O)CC2)ccc1F 1646043832 FNVADUFIXILKIQ-UHFFFAOYSA-N 431.555 1.870 30 10 IDEE Cc1ccc(C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)cc1S(=O)(=O)NCC#N 1653500865 WSFQVXPATXHVSB-UHFFFAOYSA-N 444.444 1.849 30 10 IDEE C#CCN1CCN(C(=O)CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)OCC)CC1 1654453868 REQTZPDQMMYDEK-SFHVURJKSA-N 426.344 1.835 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(=O)nc1O 1676717439 MEKKPCVABYRYDR-WSTZPKSXSA-N 436.516 1.420 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 1680685723 MNPJNXWBNKWXAT-HNNXBMFYSA-N 429.564 1.215 30 10 IDEE C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)O2)CO1 1684205893 OBOCGEYVMBUZRB-MMOPVJDHSA-N 448.545 1.301 30 10 IDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1684862767 DGKFIVAFZSQNLU-GOSISDBHSA-N 427.530 1.451 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689972488 QRKMYMYZGULHQX-OALUTQOASA-N 445.593 1.413 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1689980494 SRCIDSQUIPRXET-HKUYNNGSSA-N 447.561 1.381 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC(=O)N2)n1 1690109416 QKELWLKTOULEQI-IEBWSBKVSA-N 441.536 1.281 30 10 IDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1690163875 ULUAXHFRJWOLSN-OAHLLOKOSA-N 439.549 1.106 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690225675 HQTNCETZSMIEDH-CYBMUJFWSA-N 429.344 1.601 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690235086 WPLYBKQFJLCFGJ-MKXGPGLRSA-N 433.553 1.735 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1690235126 XMWZKCBZQIWWQN-AHIWAGSCSA-N 443.298 1.953 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690327908 ALMKJYSSULUPFR-AWEZNQCLSA-N 447.005 1.724 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1690700570 UVSPUEHYFJDISD-HKUYNNGSSA-N 427.505 1.476 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1691204754 XCZJBSGPHNNBAQ-ROUUACIJSA-N 435.532 1.836 30 10 IDEE CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cn1 1695455061 BZKNHMMPKHWRJV-OAHLLOKOSA-N 447.565 1.860 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1COCCO1 1698060349 CTEQMLQDPAIXSR-FQEVSTJZSA-N 437.504 1.913 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705649724 DOFFLOCWELDVLS-UHFFFAOYSA-N 448.571 1.994 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCNS(C)(=O)=O 1705704868 AAPDRZCYLCSIHJ-HKUYNNGSSA-N 434.566 1.231 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706145294 ZNBGXOQIOWCPJH-MGPWXQLLSA-N 443.508 1.034 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1C 1707521716 AYMACJYWNFIIMB-AVRDEDQJSA-N 440.504 1.682 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2nncn2C)c1 1722309119 JLGJWXTUHJSOLI-QGZVFWFLSA-N 434.504 1.405 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1722412586 BNIZQUCVDDJEGV-KRWDZBQOSA-N 445.545 1.165 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1722698156 VSIGRWLMCYEFPW-UHFFFAOYSA-N 436.495 1.499 30 10 IDEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1728630256 HMODYISTUUMDQB-NRFANRHFSA-N 429.548 1.538 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1729396248 AZYCHEXCXSOMSM-KRWDZBQOSA-N 433.476 1.175 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1729445202 LVFGZNYWCSUCHD-UHFFFAOYSA-N 446.558 1.971 30 10 IDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1730665387 CHGHWMXCHMGSHG-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1730824342 MXWBDNSWYJBHIY-WBMIKMOSSA-N 432.525 1.621 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740531126 FWJPHZMHBWHZBD-CVEARBPZSA-N 442.486 1.625 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1740580807 IUPISQLFPKMMGJ-INIZCTEOSA-N 432.550 1.685 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740592512 YTZVVNMNOWVLNP-ROUUACIJSA-N 443.577 1.489 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(I)cc1 1740608239 CTUJGXFHLCWISU-AWEZNQCLSA-N 435.269 1.952 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCOCC1 1740650999 VVKORJJFSHFJET-LJQANCHMSA-N 435.528 1.900 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740710293 VUXJQSWYLIBFFX-MRXNPFEDSA-N 426.546 1.825 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740715060 CHZVGBZSMLNCGJ-GOSISDBHSA-N 426.550 1.839 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740808994 ABFUYXZPOQAWAC-CQSZACIVSA-N 430.962 1.232 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1740887254 FTIWAKZRSSTBBS-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1740952933 QVJQYTPHNRIBFP-LJQANCHMSA-N 440.548 1.417 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)N(C)C)C1 1740977201 SFGSDGQALTWISI-IAGOWNOFSA-N 447.609 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)NC)CC1 1740989493 OOCXNFQDOSFOSB-UHFFFAOYSA-N 431.562 1.817 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1741802051 FFNUGFKPDGTSBU-LSDHHAIUSA-N 447.517 1.726 30 10 IDEE CC[S@@](=O)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747464888 VAPMFSRJVACCAZ-WJOKGBTCSA-N 437.529 1.567 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748649507 OTCZBNPYYBGTSN-JKSUJKDBSA-N 447.561 1.702 30 10 IDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1748744165 URAAJKKKDMCNAR-MRXNPFEDSA-N 434.504 1.899 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1748752375 VVZUGIGILUFMOB-QGZVFWFLSA-N 448.618 1.994 30 10 IDEE C#CCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1748763823 AZDBEVNTUVWWSV-NRFANRHFSA-N 429.500 1.599 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1748818012 UOIIIRUUUUQDFR-DLBZAZTESA-N 447.586 1.574 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1748826040 KWLGTYNKVMGHSR-PKOBYXMFSA-N 434.610 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1749015440 DMQLJEPTEWXLQA-UHFFFAOYSA-N 448.571 1.994 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1749039198 QJQYFFRTGNLXKQ-GOSISDBHSA-N 448.618 1.660 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCS2)CC1 1749302977 CHYLJKNMUYSIBA-CVEARBPZSA-N 427.596 1.663 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749363321 AQWOBUSMGQGIKF-IAGOWNOFSA-N 430.553 1.659 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749427878 VXZJUFXQCWDHCA-IRXDYDNUSA-N 441.598 1.829 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749537933 CJQKWYPVFSXVIG-NRFANRHFSA-N 440.529 1.477 30 10 IDEE COCCCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1749741873 OHXBNGJEADRKGA-RTBURBONSA-N 440.504 1.422 30 10 IDEE CS(=O)(=O)CCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750201287 BRIYDJNCBCRDLZ-KRWDZBQOSA-N 446.533 1.489 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1751017745 IMIMMBMQSYJBQB-NHCUHLMSSA-N 443.483 1.303 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)cs1 1751778394 IHRFNOYIANCFMB-GOSISDBHSA-N 437.595 1.655 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760181362 SVFCFYGWVAALBU-QUCCMNQESA-N 431.562 1.525 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760188694 LRXLZDRHHAXJSA-INIZCTEOSA-N 428.543 1.780 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1760195167 XSWJXWOGVZNJPC-ZDUSSCGKSA-N 429.531 1.014 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1760210547 SXVFAWZROMBUND-IRXDYDNUSA-N 447.536 1.958 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1760219245 YJJHACYHEZNMSI-QGZVFWFLSA-N 442.589 1.550 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2([S@](C)=O)CC2)CC1 1760269022 VVEBZSARVQVLKF-HKBQPEDESA-N 440.573 1.525 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NC)CC1 1760315842 JNBNZGBDNCSULL-SQNIBIBYSA-N 436.557 1.445 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)nc2)CC1 1760402944 ZSAPEKCGBQPPNP-GOSISDBHSA-N 444.561 1.984 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC1CCOCC1 1760519960 VVUZLZAKVWUIHC-UHFFFAOYSA-N 427.505 1.881 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760532361 SYXQKMHNSDHJBW-LJQANCHMSA-N 437.504 1.243 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)C1 1760541839 ANWXEOAOSRJERE-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]2CCC[C@@H]21 1760554525 GJXHWPUJANSLPY-ZACQAIPSSA-N 442.607 1.550 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1=CCCCC1 1761498714 IIMFMPKSWUWTOD-QFBILLFUSA-N 447.609 1.955 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1761545364 UGQPSRXPPPFQRV-JRWGXLCNSA-N 446.515 1.920 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1cc(Br)cn1 1762611102 KLXJAMDGTOYPGA-UHFFFAOYSA-N 442.325 1.839 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC1CCOCC1 1763096223 SHEQQTRPXZQAKM-UHFFFAOYSA-N 442.568 1.666 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1767420436 CGJYYMJRDYYUQK-UHFFFAOYSA-N 434.591 1.346 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1771272955 ZBRCZDKTPLEDIC-VGOFRKELSA-N 427.505 1.864 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1772564534 AHSMNOHNSFGLIZ-GOSISDBHSA-N 435.550 1.428 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCN(C)C1=O 1849166927 HXQOJEZIGHXTKQ-GOSISDBHSA-N 439.965 1.986 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C2CN(c3nccnc3C#N)C2)c1 1849818839 MRXOHECXWVCRPQ-LJQANCHMSA-N 440.529 1.157 30 10 IDEE N#C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CCO1 1852748142 BHMHXJBZJPCQKX-PKOBYXMFSA-N 433.917 1.981 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@H](C#N)C1 1852749108 RWJZFSWCSKFERH-ZBFHGGJFSA-N 444.351 1.893 30 10 IDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)c(C)c1C 1854638796 UCGBXSXYEWLIIV-INIZCTEOSA-N 426.498 1.940 30 10 IDEE COc1cccc2c1SC[C@H](C(=O)N1CCN([C@@H]3CCN(CCC#N)C3)CC1=O)C2 1855028965 JNLHBHFYGRPOOZ-QZTJIDSGSA-N 428.558 1.618 30 10 IDEE N#Cc1cc(C(=O)N2C[C@@H](C3CCN(C[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)ccn1 1855075889 USTBVGKEQDYGFC-YJBOKZPZSA-N 430.530 1.089 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NCCOC)nc1C 1858791437 HAFWIVZYROOAIZ-UHFFFAOYSA-N 449.489 1.975 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(CN=c3[nH]cc4c(c3C#N)CCCC4)cc2)CC1 1859804625 ZUFZSPXCCPSNBK-UHFFFAOYSA-N 425.558 1.802 30 10 IDEE CC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929215 CDJIKHPKAAMMNK-LJQANCHMSA-N 440.525 1.027 30 10 IDEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155239 CUALDAMETDQORR-UHFFFAOYSA-N 449.358 1.811 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CCOCC1 1870736714 NWGNVXNLKFFSLW-UHFFFAOYSA-N 443.500 1.901 30 10 IDEE CN(C(=O)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1)C1CN(c2nccnc2C#N)C1 1891246117 ZXGOQSVZMGTYAK-VQTJNVASSA-N 449.540 1.238 30 10 IDEE C=CCN1C(=O)C(=Cc2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2053496731 IUXSZQFDAHPQDN-UHFFFAOYSA-N 427.555 1.834 30 10 IDEE C=CCn1ncc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2106092746 GRFMPUZTLRTPBX-WCQYABFASA-N 429.315 1.832 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107462394 YRDZYZBVGHFJQW-MYJAWHEDSA-N 433.137 1.290 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCO)n1 2164496245 JCDRQHOTNBNTNB-FQEVSTJZSA-N 431.445 1.192 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2256622711 KYWQGVXOZNRGQF-KRWDZBQOSA-N 432.326 1.714 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)[nH]n2)OC1(C)C 2267143846 NSORECCPYYNXRI-SFHVURJKSA-N 440.353 1.730 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646022 RPXGBTCXHRTUHN-WMZOPIPTSA-N 446.353 1.972 30 10 IDEE COC(=O)[C@H](CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2268668891 JBRSFLWHMAHFSD-ZDUSSCGKSA-N 449.313 1.776 30 10 IDEE Cn1cc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2268978112 HAWMZMQONWUDAI-UHFFFAOYSA-N 442.325 1.036 30 10 IDEE CC#CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)C(=O)OC(C)(C)C 2300539399 NQQORQNVLNIWEB-IRXDYDNUSA-N 439.553 1.981 30 10 IDEE CC1(C)OB(c2cc(O)c(C(=O)N3CC(NC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2317242602 YYRLBAKZKPHFAG-UHFFFAOYSA-N 432.179 1.333 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)C=CC(=O)O)nc1C 2326296375 YPEQRQOIDPMPLM-UHFFFAOYSA-N 446.441 1.786 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2334270876 ZPMXKGXHLIOCSP-FVQBIDKESA-N 444.341 1.904 30 10 IDEE C=C[C@]1(CN)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364185278 XTFQBBCMWQAVIW-NRFANRHFSA-N 435.546 1.389 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 427177729 IOFIUDFWHJWUTF-MJGOQNOKSA-N 434.562 1.328 30 10 IDEE CN1C(=O)Cc2cc(NC(=O)C(=O)NC3CCC(Oc4ncccc4C#N)CC3)ccc21 435115499 GYODTBLROAQDDA-UHFFFAOYSA-N 433.468 1.917 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC1CCC(C#N)CC1 441692271 UJBCSVSKESUPJU-HTWSVDAQSA-N 435.546 1.674 30 10 IDEE CCc1nc(C(C)(C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 441704265 FJGAUFNWYNKTHA-UHFFFAOYSA-N 431.518 1.956 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC(=O)N2C)cc1 472270688 AVBKLMBRSCDCAD-RXVVDRJESA-N 436.516 1.477 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1OC 509013400 UCKOTBONVQMEDH-SFHVURJKSA-N 435.550 1.485 30 10 IDEE N#Cc1ccc(N2CCC(C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)CC2)c(F)c1 509134087 AJTIWDNMLGPUGG-UHFFFAOYSA-N 437.475 1.999 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 518065980 RUEJFCJQVNVMFE-AWEZNQCLSA-N 431.464 1.172 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1cccc(C)c1 542731499 GXQLTTWVDBKZOA-UHFFFAOYSA-N 434.477 1.673 30 10 IDEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549690659 IIIYIUJACQNXJE-UHFFFAOYSA-N 436.476 1.850 30 10 IDEE CC(C)Cc1nnc(NC(=O)CN(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)s1 552251860 PZLCRMMTJLVULB-UHFFFAOYSA-N 449.558 1.620 30 10 IDEE N#Cc1ncn(CCN2C(=O)N[C@H](Cc3c[nH]c4cccc(Br)c34)C2=O)n1 561051629 WZYFREHTJACXHO-CYBMUJFWSA-N 428.250 1.557 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 565429490 XJQGQFPRVIZINX-FQEVSTJZSA-N 439.541 1.764 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 565449035 FVIWLNKTVXTDMN-QGZVFWFLSA-N 442.549 1.814 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C[C@H]1CCCO1 590914007 LTVJYBNFQQINAO-MRXNPFEDSA-N 427.526 1.127 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CC1 605417364 UFYWWKLZCNUGOY-IBGZPJMESA-N 444.536 1.439 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@@H]1CCCO1 609431473 ZRJPMZKMJQDLIP-KRWDZBQOSA-N 446.532 1.419 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)CC2)c1 609469752 GXQYQDOQCLFKES-UHFFFAOYSA-N 444.492 1.986 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C[C@@H](C)O1 609669310 IHKPDVDSIZRZOE-CHWSQXEVSA-N 433.456 1.448 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 732466831 PWYLATLRKZBAMZ-QIDKZVQTSA-N 437.566 1.732 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC(=O)N2C)cc1 734966958 QRHPKSDHYXYUAF-FXAWDEMLSA-N 427.482 1.900 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)o1 744421418 GCIBVFWECVWQRX-MRXNPFEDSA-N 432.525 1.492 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1C#N 747495848 WERXDGCHZKOUBG-UHFFFAOYSA-N 428.470 1.362 30 10 IDEE COC(=O)[C@H](CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)OCc1ccccc1 747884244 QQCXRDKOULXCIE-OALUTQOASA-N 428.489 1.433 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(OC)cc2)c1=O 753789745 ZTAVAVUIWQPSFP-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)cc1 760669739 PYDJPJCTSYUDAC-UHFFFAOYSA-N 449.559 1.616 30 10 IDEE Cn1cc(S(=O)(=O)NN=C2CC(c3ccc(C(F)(F)F)cc3)C2)c(=O)n(C)c1=O 781596495 HXPOZQUBZIIENE-UHFFFAOYSA-N 430.408 1.315 30 10 IDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(CC(F)(F)F)CC1 792444296 KFNHQNOBDIYJMB-CYBMUJFWSA-N 446.495 1.894 30 10 IDEE C[C@@H](C(=O)OCC(=O)Nc1ccc(I)cc1)n1cnc(C#N)n1 798743902 MNHQFCLEJGCZEY-VIFPVBQESA-N 425.186 1.497 30 10 IDEE C[C@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 799862170 PLTPTADBLMIGSV-WBMJQRKESA-N 431.493 1.633 30 10 IDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@]1(C)CNC(=O)OC(C)(C)C 812039086 XTFKALRWNWKFIZ-CJDAVWANSA-N 435.525 1.705 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 814612395 JUGLFGBQLCJVRJ-UHFFFAOYSA-N 437.474 1.449 30 10 IDEE Cn1ncc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1I 815895029 BIVUZXCZBYQPNB-UHFFFAOYSA-N 430.227 1.156 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 915874071 ZSMWHQIHTZPIBV-CLCOLTQESA-N 439.497 1.848 30 10 IDEE Cc1oc(NC(=O)CN(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1C 921191485 ACXAQNBCIZGHGW-UHFFFAOYSA-N 433.509 1.718 30 10 IDEE COc1cc(C=NNc2nnc(SCC(=O)NC3CCCC3)n2N)cc(OC)c1OC 1084196148 JPBSQXAEFSDDEJ-UHFFFAOYSA-N 449.537 1.615 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)c1 1084500356 ZFUFQEMDNWFPRJ-UHFFFAOYSA-N 439.505 1.912 30 10 IDEE CC1(C)Oc2ccsc2[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1O 1142002940 AREJMDJEDMSLAS-WBVHZDCISA-N 435.527 1.943 30 10 IDEE COC(=O)CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1144355276 AYUQSQZWAYTEDF-WBVHZDCISA-N 429.473 1.691 30 10 IDEE Cc1ccc(C(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)cc1S(=O)(=O)NCC#N 1148786478 XTDJSQDDDFYJSD-UHFFFAOYSA-N 437.518 1.418 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CS1(=O)=O 1165525668 CVNJHDCCLFZWMR-WMLDXEAASA-N 439.559 1.041 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2c(F)c(F)c(F)c(F)c2F)c1=O 1189868963 KPXXSXNVRQYEPY-UHFFFAOYSA-N 431.317 1.967 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnnn1CC1CC1 1286276295 XCDMQMRETZPIEO-LBPRGKRZSA-N 444.341 1.949 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1286380623 CFEKKRHVVRNENO-BEFAXECRSA-N 446.520 1.602 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286398366 JLZAFDSUXPZKAE-SFHVURJKSA-N 435.532 1.158 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CN(CC(C)C)CCO1 1286411114 MQYFHGDZWPPZAO-QFIPXVFZSA-N 445.571 1.946 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(-c2ccccc2)n1 1286415531 OMSBRUPFYJLKDL-UHFFFAOYSA-N 428.500 1.606 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1286447545 LLCUSDAKNYCSNJ-INIZCTEOSA-N 445.536 1.896 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286480913 QYPWKPHAQHNRNZ-MOPGFXCFSA-N 444.580 1.937 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)O2)[C@@H]1C 1288969545 RQYGRYYWQSCKDY-RYKFACHSSA-N 440.500 1.852 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1300478937 HCDUYCFCKHQSAC-OWCLPIDISA-N 425.530 1.181 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1300501332 JTKCTJAWEXISOZ-BRWVUGGUSA-N 437.541 1.165 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2COCCO2)CC1 1300726510 NIOQDHAAYHKACN-LJQANCHMSA-N 441.507 1.389 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301586646 VANDTUIZWUJFGD-HXUWFJFHSA-N 434.566 1.632 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1301953704 TZRDHTVMTUOZOA-CVEARBPZSA-N 433.582 1.793 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1301991039 UJNWPVHIRMDERA-QGWWYQLQSA-N 447.561 1.614 30 10 IDEE C#CC1(O)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)C1 1304596375 OOXHNHZAVRNFIW-LLVKDONJSA-N 433.349 1.118 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCOCCN(C)C(=O)OC(C)(C)C)CC1 1307941038 QEGOIIZOCJBZSP-IBGZPJMESA-N 439.601 1.494 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1310863740 PSZVUHKZPOKEGR-LBPRGKRZSA-N 431.312 1.380 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@H]1C 1358889345 ALOSAXAALZFJBV-RTBURBONSA-N 438.580 1.631 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)nc1 1358900606 OEWUVOKIVZAQSR-CUWPLCDZSA-N 440.548 1.740 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1358925291 ZXDPUQYOEHGDBJ-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1358937103 IJZHLPMTKYNPTE-IAGOWNOFSA-N 425.537 1.883 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358966236 KFYBWIHACHDMBU-GOSISDBHSA-N 435.594 1.410 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1358978794 UUWTYTBDLYJLJG-RTWAWAEBSA-N 439.585 1.864 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OC 1359024910 YLTOCWQQLUJZES-SFHVURJKSA-N 432.546 1.632 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)N(CC)CC)CC1 1359028447 SGUDQVQBINAHJC-IBGZPJMESA-N 441.580 1.848 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCOC2)CC1 1359038579 AZXPDZCPXNZHQS-QHCPKHFHSA-N 425.533 1.381 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1359039124 XRMQOKVMMGIFPD-UHFFFAOYSA-N 427.468 1.997 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(CC)n2)CC1 1359040129 JCZKQNKJNHIWDD-UHFFFAOYSA-N 443.577 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2CCOC2)CC1 1359048485 RYQNUEOIYOXAAM-HOJAQTOUSA-N 445.564 1.395 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1359301762 KKGCWSJBICULLZ-UHFFFAOYSA-N 442.568 1.684 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCC(CO)CC2)c1 1441732148 GLDRPXQLMMCOEF-BSYVCWPDSA-N 436.578 1.922 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1453540341 KNBXVNUSZBPXLV-IAGOWNOFSA-N 436.505 1.590 30 10 IDEE C=CCOc1ccc(CC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1 1456153802 ITAMNZXLFGSLQJ-UHFFFAOYSA-N 430.530 1.909 30 10 IDEE C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CCCc2ccccc21 1456267978 OFJORTZFJMXHFZ-IERDGZPVSA-N 439.537 1.992 30 10 IDEE C#CCN(CC(=O)Nc1ccc(OC)nc1N1CCN(C(C)=O)CC1)C(=O)OC(C)(C)C 1464613426 SOXYSZVAGGSHGD-UHFFFAOYSA-N 445.520 1.568 30 10 IDEE Cn1cc(N2CC[C@H](NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2=O)cn1 1465313916 DFSZLAYEBFNHNE-INIZCTEOSA-N 443.305 1.412 30 10 IDEE CC(C)(C)n1ncc(C(=O)N2CCN(C(=O)CC#N)CC2)c1I 1465872609 SCGZCKSWKJANIB-UHFFFAOYSA-N 429.262 1.441 30 10 IDEE CN1CCn2nc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cc2S1(=O)=O 1467699051 BPRWEQHONRJCLR-KRWDZBQOSA-N 448.936 1.193 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CCOCC1 1470863289 BDSRKUCSYAPIRT-OAQYLSRUSA-N 431.558 1.620 30 10 IDEE C#C[C@@H](NC(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1)c1ccc(Br)cc1 1478896008 IUFGEBPGDPUOLN-JJXSEGSLSA-N 427.320 1.577 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCN(C)C2)cc1C 1492246650 HSKACCIVAUXIEI-QHCPKHFHSA-N 437.548 1.954 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCCO1 1494477401 GWRSHTNNPZCGND-FFZOFVMBSA-N 427.505 1.884 30 10 IDEE CC[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1495057659 MAGKIYOEDHFLPY-AYGAQVIVSA-N 438.554 1.187 30 10 IDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1502619418 VMUUPYZFFGIXHS-AUUYWEPGSA-N 437.522 1.312 30 10 IDEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1503200632 MDVQHVAPYXLJOR-MRXNPFEDSA-N 447.565 1.123 30 10 IDEE COC1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1504464790 AULJKDTYZPGHMB-GKSFYBEXSA-N 442.561 1.926 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1505123369 GMPPPXRERQHZHA-LJQANCHMSA-N 426.546 1.702 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507533120 IIXYIKBGVWFUDU-RHSMWYFYSA-N 431.518 1.170 30 10 IDEE C#CCSCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1507756178 YFENEAHIXAIWAN-MRXNPFEDSA-N 448.593 1.695 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507844611 MIEPGTUYZXSFMU-ROUUACIJSA-N 441.598 1.530 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507863362 DFWPWTYNYLPATP-GFCCVEGCSA-N 427.914 1.772 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1507914027 GSEZKADGDFPGLU-MRXNPFEDSA-N 440.614 1.795 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1507916029 JBGLBZBGNHWOBM-KRWDZBQOSA-N 445.593 1.899 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1 1507943452 IJYPKLZOQRTJRZ-OAHLLOKOSA-N 439.586 1.239 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1508758071 GGWXWSVIYROQCD-UHFFFAOYSA-N 434.508 1.083 30 10 IDEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1518371072 CHXBWLAZPZGYFK-NHCUHLMSSA-N 445.545 1.633 30 10 IDEE COC[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1518707660 DAHVPOQTQLHXBD-ROUUACIJSA-N 447.547 1.923 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(NC(C)=O)nc1 1519409256 LHVUCRDQUJEHNY-LJHODMEESA-N 427.509 2.000 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CCN1C1CC1 1521128544 DOISZXCAFPSVDS-ZIAGYGMSSA-N 443.499 1.701 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2nnn(C)c2C(F)(F)F)c1 1527211549 PETWRSZIFOGVRJ-UUYOSTAYSA-N 430.412 1.899 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1539015930 RLRNGLLCRLWGKS-PKOBYXMFSA-N 431.562 1.620 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539132042 BNTPYLPCGGZJDT-CABCVRRESA-N 437.591 1.941 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1539232765 OEOBMRJMVHPPKA-UHFFFAOYSA-N 438.455 1.022 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1539239280 JGFITMQJPFVXCM-ROUUACIJSA-N 441.557 1.918 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1539257466 KDRCEWIOEXQQLG-OSPHWJPCSA-N 430.512 1.816 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CC(OCC)C2)CC1 1539436014 GCJRIJUJIWZYEN-UHFFFAOYSA-N 430.940 1.679 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539801552 CGYCFKLNTNRVMV-HNNXBMFYSA-N 431.928 1.745 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1CC 1540037094 BASGWKUJUZEYNO-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540858179 KWOYXDKDLMKWMP-YCRPNKLZSA-N 448.524 1.803 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2ccccn2)CCO1 1555991984 CGJTVYOZZJNMKA-MRXNPFEDSA-N 433.476 1.551 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOCC(F)F)CCN1C1CC1 1555996409 ZLVZFZKTEUUHBW-INIZCTEOSA-N 437.495 1.249 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1557592212 AQBCDCRDYRWZCZ-SFHVURJKSA-N 442.541 1.448 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1558480770 LCWQMBWWGBXWOS-HNNXBMFYSA-N 425.532 1.108 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)c1[nH]cnc1CCN2CC(=O)N(CCC#N)CCC#N 1560025344 JFGZJGRMYJRURR-JOCHJYFZSA-N 441.536 1.760 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 1570380241 PNZZAJSWNNFJBL-UHFFFAOYSA-N 441.553 1.355 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(O)(CNC(=O)OC(C)(C)C)CC3)cc2C1=O 1570481838 NNBVEHINHIVTCP-UHFFFAOYSA-N 443.500 1.960 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)Cc2ccccc2C1 1585138462 HYGTWIPIHIGOEQ-UWJYYQICSA-N 445.541 1.445 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1588233816 RMMXEHXTOSAUFM-HNNXBMFYSA-N 447.483 1.416 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1588262689 KASHTTOIKJNCKW-UHFFFAOYSA-N 444.923 1.180 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1588472743 IPCPSAYCYJCWJD-KRWDZBQOSA-N 447.536 1.630 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1588637715 JUWVHXYVYMOPPG-MAUKXSAKSA-N 439.516 1.696 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCn2cncn2)CC1 1588899040 LBINGQHVTUYHAI-UHFFFAOYSA-N 434.504 1.211 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(N)=O)cc1 1595266924 NPUMLZDLTXXXMG-UHFFFAOYSA-N 427.509 1.692 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1595562183 PQMNWSBBXHXCLW-UHFFFAOYSA-N 443.515 1.159 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCS(=O)(=O)CC1 1595766072 LQEKZRULNATCDP-UHFFFAOYSA-N 444.966 1.434 30 10 IDEE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1597108355 BMCDATRADBMWNV-JQHSSLGASA-N 436.472 1.533 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1615416105 VLDBYWSMEHDYRT-UHFFFAOYSA-N 448.531 1.843 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)c1 1618616006 ZIFJWJZOBCBVHN-MAUKXSAKSA-N 428.493 1.139 30 10 IDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1618682060 ZRSMUUACIILITR-VLIAUNLRSA-N 429.864 1.509 30 10 IDEE COc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(C#N)nc3)CC1)C(=O)NCCC2 1622523800 DUOKVTDLHJDEFC-UHFFFAOYSA-N 441.513 1.149 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)CC1 1626037169 HCKZCPCWZDMKAQ-INIZCTEOSA-N 429.521 1.844 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1626966712 NDHQVOGFFSIPAO-GOSISDBHSA-N 440.544 1.809 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)n[nH]2)c1C 1627341811 AFTZRLLRYAVMEM-UHFFFAOYSA-N 434.504 1.532 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1628662774 RNJWSJBVZQCGMI-MSOLQXFVSA-N 430.505 1.566 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 1630813931 ORERNLUVUWJMBN-ZDUSSCGKSA-N 433.361 1.719 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)C2)C1 1632963425 KWAJCIPFFVXYCT-HQNGXFHWSA-N 437.562 1.951 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1633261755 MHZLVKHITMMUGZ-LPHOPBHVSA-N 442.541 1.624 30 10 IDEE N#Cc1cn(CCNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c(=O)nc1O 1633549831 AOHFJCQMXOSBRF-UHFFFAOYSA-N 429.889 1.880 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@@H](CN4CCOCC4)C3)ccc2c1=O 1634428751 ZQAARQVFKCQLJS-INIZCTEOSA-N 430.530 1.044 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 1634792123 TVVJUGBHHOHYCH-IAGOWNOFSA-N 427.567 1.471 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC1 1636479733 FISLVKWWHUHDRO-UHFFFAOYSA-N 440.569 1.544 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCc3ccccc3)cc2)CC1 1637324821 SVGAPFFKCOMUCI-UHFFFAOYSA-N 442.541 1.560 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1637389507 IDRWBHQXUKHXJX-CYBMUJFWSA-N 433.452 1.548 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)C[C@@H](O)C(F)(F)F)ccc1F 1640450929 OIJDSFGZFVSNJW-CQSZACIVSA-N 428.404 1.302 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1640916055 IUUMAGKZEIVVOP-GOSISDBHSA-N 445.497 1.190 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C(=O)C1 1643499790 WVDNOEKJJYEMKL-JOCHJYFZSA-N 427.505 1.545 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCCCCNC(=O)CC2)CC1 1644105584 UXAFYMXBKADCRE-NRFANRHFSA-N 429.540 1.917 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)cc1 1646395115 IWKXFIVDPIXHIU-KRWDZBQOSA-N 426.454 1.121 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 1650894773 DBJINTZDZMQPCF-DJIMGWMZSA-N 429.502 1.521 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H]1C(=O)OC 1653675319 GSTZGMKRYYNPFO-FMMRAEOHSA-N 449.504 1.194 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H](CCO)[C@@H](CO)C1)CCCC2 1655897952 BMTKZSLQJZLQTF-KURKYZTESA-N 430.549 1.279 30 10 IDEE N#C[C@@]12CN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1674860353 WVVMCJGZLAYBFE-UNMCSNQZSA-N 430.574 1.868 30 10 IDEE CCOC(=O)[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCOC1 1680778099 BLHFIRKEJZXNDH-AVRDEDQJSA-N 428.489 1.318 30 10 IDEE CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1682238076 OYHCDKRZYXWYDV-QIIPPGSGSA-N 425.532 1.121 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCn1cc(CO)nn1 1689951461 YKVCMVNKUZSDQJ-UHFFFAOYSA-N 430.310 1.951 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1690003452 OEYNXBCZVVGYCO-QFIPXVFZSA-N 425.489 1.301 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1690022304 ADIYFMAYMFNJBW-UHFFFAOYSA-N 427.512 1.617 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2CC(=O)N(C)C)n1 1690109133 HQLQMMYAKFVCEA-UHFFFAOYSA-N 439.495 1.655 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC[C@@H]2C)CC1 1690148398 FVHWMXQBHVOJQY-AZUAARDMSA-N 436.560 1.902 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690243023 GKBKPLWLXSCDJR-LHHMISFZSA-N 434.566 1.974 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C(N)=O)nc1 1690615783 RVEKNJZINFMPPV-UHFFFAOYSA-N 436.472 1.855 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(C(=O)OC)CC2)C1 1690693373 AIJJHNVNXUXBLD-SFHVURJKSA-N 429.525 1.938 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(F)cc1 1690723096 HRBAJDTZYTXIME-KRWDZBQOSA-N 435.525 1.996 30 10 IDEE CC(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1692622729 BQHXFGHVJUBMAR-FQEVSTJZSA-N 437.548 1.848 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1692637752 QGTLPLXBSSJFIZ-YCRPNKLZSA-N 428.493 1.499 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1705481149 APLKYLATXUCXPF-AOMYARPXSA-N 435.444 1.838 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)NCc2ccco2)CC1 1705645730 CEYWETNOXMKMAB-UHFFFAOYSA-N 446.511 1.820 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1705700745 XUCLGKWGIUBHJS-VCBZYWHSSA-N 444.536 1.805 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1705901847 XZCJVXXDKZJPME-QGZVFWFLSA-N 436.582 1.289 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCCCC2)C1 1705932755 YTZWDEMAINXQNI-UHFFFAOYSA-N 434.566 1.819 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705934328 ISTCOLFKJNXMML-HOTGVXAUSA-N 439.582 1.614 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)[C@@H](C)C1=O 1706507604 URHGDBNPZITGHY-QFBILLFUSA-N 435.532 1.788 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCCCCO 1708153802 VKDPKWIQRWACGX-FUHWJXTLSA-N 426.525 1.669 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cc(CO)nn1 1722291179 IDLZCOCRBBRIQW-CQSZACIVSA-N 433.476 1.226 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722364375 GCUPRKMPUCKPMM-IRXDYDNUSA-N 438.575 1.219 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCO2 1722370044 FUFGVVNKYVQKMI-UHFFFAOYSA-N 428.452 1.818 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1722429833 SXGRYAWOFCAOPA-GOSISDBHSA-N 440.548 1.648 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(=O)C(C)C)CC1 1722439539 GKKSCJGNALJTJY-UHFFFAOYSA-N 429.594 1.551 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722462949 USXFKGPHHFIOGS-MRXNPFEDSA-N 434.566 1.482 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC[C@@H]1CCCO1 1722467235 OZXUMLVULOURBN-FUHIMQAGSA-N 439.582 1.466 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1722537653 QDLVAJFTTAGIHS-HNNXBMFYSA-N 433.525 1.160 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1722584193 SBVUGZYZKALZDW-ZIAGYGMSSA-N 426.543 1.131 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1722629260 OJQYHOFLRVZQRE-UHFFFAOYSA-N 436.582 1.746 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@](C)(CC)C1 1722703270 XWZVZVXAXQOJTN-FQEVSTJZSA-N 432.550 1.577 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CC(OCC)C2)C1 1722719937 CNLDSRXQSOVONC-FLPIEVNYSA-N 430.553 1.851 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1723107555 BDLUCYHTMDBEQM-VGSWGCGISA-N 440.504 1.777 30 10 IDEE COCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1730704463 YOBBXPLBTYBEFT-HOTGVXAUSA-N 436.513 1.352 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1740566446 HDQHMJHXHBBXIZ-SJORKVTESA-N 432.550 1.745 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1740615453 FCTSSFZBNVCJOE-BRWVUGGUSA-N 437.541 1.279 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Br)cn1 1740644793 UPWHBVAXLJYCQM-RDJZCZTQSA-N 447.337 1.734 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1740671670 MBEGPTZFULWBMJ-KRWDZBQOSA-N 439.488 1.397 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCSC)CC1 1740692320 IDVVFENJQYYAED-UHFFFAOYSA-N 437.577 1.819 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1741120562 MIQSXRJUCNIUPV-SJORKVTESA-N 447.540 1.605 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(C(F)(F)F)n1 1741123732 ANQMONRUHBXFJC-RYUDHWBXSA-N 445.471 1.946 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccn3)CC2)n1Cc1ccc(C#N)o1 1744090843 KGIVHKVBBSVALQ-UHFFFAOYSA-N 449.519 1.826 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1746464584 NOCVENWZRBNYFL-AUSIDOKSSA-N 442.612 1.777 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1748859413 UKXQSTVJKAUYSO-SFHVURJKSA-N 440.548 1.949 30 10 IDEE COc1cccc(C(=O)NCCn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1748891186 DADGOWLDSYTYDA-IBGZPJMESA-N 433.472 1.507 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1748970803 SRQSKNXPXNNZCK-HYFFOGBASA-N 449.552 1.286 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCCS(C)(=O)=O 1749054761 YMPUROFHDWIGFA-CRAIPNDOSA-N 445.611 1.095 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749225732 JKSOKQKXOOXHKO-IBGZPJMESA-N 442.568 1.268 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(C)=O)CC1 1749660528 SEUPSJGUWBPLKK-UHFFFAOYSA-N 440.504 1.123 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749677928 POIKSDFJPHPYIZ-KRWDZBQOSA-N 426.521 1.430 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1749680193 GGYXLMHJUJWSBJ-UHFFFAOYSA-N 442.495 1.405 30 10 IDEE COCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1749850352 MSHYEKCXPPMALN-NRFANRHFSA-N 428.493 1.500 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1750386909 PQJMBGWIZASPMF-ROUUACIJSA-N 445.545 1.765 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOCC(F)(F)C(F)F)CCO1 1750387433 YSFWQAGBMYPNEI-GFCCVEGCSA-N 434.394 1.160 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760094953 BMDNKPOFNJPZBA-TZIWHRDSSA-N 436.560 1.873 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1760207521 MQLDWRDCPCRULM-UHFFFAOYSA-N 448.571 1.711 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1760257175 QJDXGTKWMSSQGV-QFIPXVFZSA-N 448.568 1.210 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760284390 LKEZBNAPCBAACX-SFHVURJKSA-N 429.571 1.257 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)COCCO1 1760505281 QFAKBFNVMFAXCU-QFIPXVFZSA-N 426.521 1.961 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760528615 IBHFTGBWGISIPN-QFIPXVFZSA-N 448.568 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2nccs2)C1 1760552530 REJVAQSUEMMFTA-MRXNPFEDSA-N 446.558 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1760554445 DSPUWGMHBVREMI-KRWDZBQOSA-N 436.582 1.569 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC2(CC1)CNC(=O)C2 1760557284 GXSLWNCRNMPQPP-UHFFFAOYSA-N 435.594 1.718 30 10 IDEE Cc1c(Cl)cccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1761642286 GHDQSBWHZYDCIA-HIFRSBDPSA-N 438.941 1.627 30 10 IDEE Cc1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762613109 VUGWFAIBEPIJKD-MRCUWXFGSA-N 427.553 1.814 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1767663301 NYOAFKUMDCCRLC-QMWCZEAPSA-N 441.536 1.425 30 10 IDEE COCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1769347706 FPZFAKLXSRCOOD-IFXJQAMLSA-N 436.513 1.525 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770730660 BZANLXAEXILZPX-CECJQHFESA-N 441.492 1.899 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1770730858 FNJGAFZNRFVMDL-KHYOSLBOSA-N 428.459 1.928 30 10 IDEE N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CCO1 1848471473 SEKNTHDVLUPVMV-OAHLLOKOSA-N 442.335 1.601 30 10 IDEE CN1CCC(N2C[C@@H](C(=O)N3CCC(COc4cccc(C#N)n4)CC3)CC2=O)CC1 1848920576 BKEQQXXHCLFNGZ-SFHVURJKSA-N 425.533 1.513 30 10 IDEE CCOc1ccc(-n2nnnc2COCCN2CCN(c3ncccc3C#N)CC2)cc1 1852157085 GOJKNOKEKARBJO-UHFFFAOYSA-N 434.504 1.666 30 10 IDEE N#CCCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 1852649668 KLYCWEVKYGXOGQ-OAQYLSRUSA-N 444.532 1.773 30 10 IDEE COc1ccc(-n2nc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)nc2C)cc1 1852746921 PWDDZLBTFACNRH-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2c(OC)nc(C)c(Cl)c2C)C1=O 1854156807 DTNPINYOAXMKGE-GJZGRUSLSA-N 434.924 1.820 30 10 IDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)C1 1854599595 OMHQOXASHQMBAF-UHFFFAOYSA-N 439.965 1.988 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)cc1F 1854644648 LNCFWXXZSZFUDH-CYBMUJFWSA-N 431.445 1.768 30 10 IDEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O 1854693633 FOGBBUMQUZWFBC-QWRGUYRKSA-N 434.301 1.673 30 10 IDEE COc1ccc2nc(N3CC(C(=O)N4C[C@H](CN(C)CCC#N)CC4=O)C3)sc2c1 1855725131 SAUJPRLXNLPYND-AWEZNQCLSA-N 427.530 1.962 30 10 IDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C2)CC1 1855839138 PGLCJYNDRCNSHQ-ZFWWWQNUSA-N 427.402 1.741 30 10 IDEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3=O)cc2)C1 1856069591 QXXAVKVUKVMKEB-IRXDYDNUSA-N 432.546 1.551 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN(CCO)CCCC 1870548061 SKAFEHOOLZAVFG-HXUWFJFHSA-N 435.565 1.645 30 10 IDEE Cc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c(C)c1 2053510892 VZZFJYNEEOXWHU-QFIPXVFZSA-N 428.510 1.849 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060632670 DQCZKMWAVPNPFH-VQFNDLOPSA-N 435.374 1.994 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2132683209 IHFRLLILQSKJFK-UHFFFAOYSA-N 433.137 1.530 30 10 IDEE Cn1ncc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255544637 CHJBZRBJTLNJJQ-OKILXGFUSA-N 434.346 1.752 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255605618 RCZHEURXFPGWML-JOCHJYFZSA-N 426.326 1.076 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)n1 2255608783 PFXMADZANQCTTJ-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](F)C1 2255631880 FYWCJEBVRSUQRA-QWHCGFSZSA-N 438.309 1.786 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](OCc2ccccc2)C1 2255767522 DJPVSTXIDCRSCK-QGZVFWFLSA-N 447.366 1.699 30 10 IDEE Cn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2255816211 APBWAFWCJSWRAT-AWEZNQCLSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2256674721 LSTVJNVWPMIFGR-NRFANRHFSA-N 433.314 1.691 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2267275499 OUESDKJRNLDRNL-QFIPXVFZSA-N 449.357 1.426 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267585103 QJHWZMZWZHIGMN-UHFFFAOYSA-N 447.341 1.483 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267882195 PACJFTXXSOCHKQ-GASCZTMLSA-N 444.341 1.715 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCOCCNC(=O)OC(C)(C)C 2269720576 ZGHJNLRAZZSISW-UHFFFAOYSA-N 449.357 1.960 30 10 IDEE COCC(COC)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312769 AZRVJOGUPHGHGI-UHFFFAOYSA-N 425.765 1.640 30 10 IDEE COC(OC)[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834404 UANIQHABYBMSAC-VIFPVBQESA-N 425.765 1.986 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2334271518 MQCACNYTANSGGX-MELADBBJSA-N 447.345 1.242 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1 20832146 LMMXEDLBYJCGRB-DJKKODMXSA-N 432.491 1.024 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)CC2)c1C#N 461185546 CUXQFFUXNSGBSJ-ZDUSSCGKSA-N 437.522 1.478 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)CC1 479325847 SUIQEKCYRIMOKV-MRXNPFEDSA-N 437.566 1.215 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccncc2)c1=O 484539475 BXSHVDRZPZPDTO-UHFFFAOYSA-N 448.573 1.681 30 10 IDEE COC(=O)C(C)(C)N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 494425770 MZITVPZKRSQKEO-UHFFFAOYSA-N 425.451 1.742 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 504907841 IEPYIVMFXRSXDR-RBUKOAKNSA-N 431.452 1.685 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 508462925 BIBGRXIMRJTNAL-MAUKXSAKSA-N 439.472 1.053 30 10 IDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508904821 WJIRFWOIMGADOZ-UHFFFAOYSA-N 440.548 1.332 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC2CCS(=O)(=O)CC2)cc1 509719846 OJFSDHBEFXXCDC-UHFFFAOYSA-N 429.564 1.830 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCCC(=O)NC)CC1 516495066 YFTKJSQRCSBXNI-UHFFFAOYSA-N 427.509 1.623 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1cccc(C)c1 543145278 XPTANOPVHSKILZ-UHFFFAOYSA-N 447.545 1.704 30 10 IDEE CN(C)CCNC(=O)c1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545471279 ZCXPGDQSVXSZOO-UHFFFAOYSA-N 435.532 1.276 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H]3CCCO3)CC2)n1 559118217 GFBDHPIGHYIQMM-GOSISDBHSA-N 436.520 1.286 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCn4ncc(C(=O)NC(C)C)c4C3)cc2C1=O 560728750 RSBGACXOOGCBRY-OAHLLOKOSA-N 449.511 1.796 30 10 IDEE COc1cc(CNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)ccc1C#N 563755913 PCODHAOWJJULIM-GJZGRUSLSA-N 426.477 1.721 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2C)C1 577889668 JJMSUTUAUIRPAT-MOPGFXCFSA-N 447.561 1.683 30 10 IDEE Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(-n2cnc(C)c2C)n1 585482203 AJBQVXMCFZQLEY-UHFFFAOYSA-N 437.529 1.970 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(F)cc1 603785892 ASBJOEHJBISXOC-UHFFFAOYSA-N 427.457 1.205 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)Cn1cnc2c(cnn2C)c1=O 731070647 JBKBXDZCXVTHIQ-ZDUSSCGKSA-N 440.485 1.706 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732649746 QSVWFIPDRFKHCN-PZJWPPBQSA-N 444.557 1.631 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CCN1C1CC1 732706922 RPMGPFWBMFPXNW-CQSZACIVSA-N 434.378 1.893 30 10 IDEE COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1C#N 747024888 SGQBDLJMORPZRG-UHFFFAOYSA-N 429.454 1.044 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N([C@H]2CCOC2)C1=O 751685119 WYXYUOCBLNEZSL-OALUTQOASA-N 430.574 1.964 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)cc1F 751686933 KMSNVGQEQFENGE-WMLDXEAASA-N 438.525 1.623 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 754385020 MGOJLMIUPBCWQG-KBPBESRZSA-N 440.497 1.464 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCSC[C@H]2CCO)cc1 768969815 PMEFRGPKSAWLLN-JXLCAQNNSA-N 426.564 1.831 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1F 771541250 FBASOXILOIOUAI-HNNXBMFYSA-N 447.496 1.201 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 772885441 WFIGZFSYPPVNPM-GUYCJALGSA-N 445.545 1.454 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 780391596 ZLVVYMPANDPNTI-OAQYLSRUSA-N 435.546 1.799 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 799441697 XGEDWHQHSNXMFI-MRXNPFEDSA-N 438.509 1.677 30 10 IDEE C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC(=O)N1C 800527247 MWLAZPRCBKGSGT-VGLIXDPASA-N 435.550 1.974 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(CNS(C)(=O)=O)CC3)ccc2c1=O 804329093 WUDHNRGKBGVICL-UHFFFAOYSA-N 436.559 1.273 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807929021 LSLMZDRQYYSBEV-GOSISDBHSA-N 443.577 1.713 30 10 IDEE C#C[C@H](NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12)[C@H]1CCCO1 811185520 NKTYKGGFGDUXHP-FYNCXQTOSA-N 430.504 1.763 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@H](C)c1cccs1 813564507 DCMIRXWIWRKRJU-FOWCYRRYSA-N 439.607 1.312 30 10 IDEE C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1142202054 DALJCIDQLINGAK-KBAYOESNSA-N 434.537 1.419 30 10 IDEE C#CCN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1147283651 NSZWUVAWLDVJDK-KRWDZBQOSA-N 434.518 1.163 30 10 IDEE CN(C)[C@@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C12CCC2 1149194113 IKOWHYWOOUAMAR-VQTJNVASSA-N 430.574 1.948 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1180234362 HQPWQVZXVOSGPT-GOSISDBHSA-N 435.521 1.453 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)c1 1195847669 RJFJANVIDBBUBG-UHFFFAOYSA-N 449.554 1.985 30 10 IDEE C#CCC1(NCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCC1 1198033608 KFUGSAHLUKVENO-UHFFFAOYSA-N 425.938 1.835 30 10 IDEE CS(=O)(=O)C1CCC(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1227632037 KQVGXEXLRUAXAM-KVZIAJEVSA-N 432.546 1.562 30 10 IDEE Cn1cc(Br)c(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1273199058 PSGSYZGJVFMIOF-AWEZNQCLSA-N 445.277 1.576 30 10 IDEE C#CCN(c1nnc(C)n1CCCc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1286385350 WTRHAPUMKQBFAT-GOSISDBHSA-N 432.546 1.863 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1nccc(C(F)(F)F)n1 1286415050 JCZVFUBTQATUOA-UHFFFAOYSA-N 433.438 1.931 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1286450879 MGXDDWZDLKZNNJ-UHFFFAOYSA-N 432.546 1.565 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286503226 CBEVYBUVWOHNRS-LJQANCHMSA-N 440.621 1.706 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286606134 HTMLNJQVVMVKFW-SFHVURJKSA-N 432.569 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(O)c2)CC1 1286818940 UJMNUAZNMUQNTE-UHFFFAOYSA-N 442.545 1.906 30 10 IDEE CC(=O)N1CCC(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1286857479 WQBMVMGRYUPPOM-DENIHFKCSA-N 446.552 1.306 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1288517786 GEUADYAGHKJFTN-YLJYHZDGSA-N 437.548 1.848 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1300273480 QNWKKEUHOKYNMT-IRXDYDNUSA-N 446.577 1.231 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1300306926 AHLLRRFQONOIKP-VGSWGCGISA-N 425.537 1.716 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1300466677 ZSVGBKSQJZGXHI-LJQANCHMSA-N 445.545 1.054 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@@H]2C)CC1 1300710817 MJBVQYAKCSZNEK-HKUYNNGSSA-N 426.565 1.916 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N[C@H](C)CC)CC1 1300711034 RNXCPAOECAUZHT-HBFSDRIKSA-N 432.569 1.062 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN2CCCC2)CC1 1300725644 IVXLKPASJKMNBH-TZIWHRDSSA-N 442.608 1.870 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2(=O)=O)CC1 1301086824 ZSMHSMMHDSXMGX-HZPDHXFCSA-N 428.580 1.304 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1301356602 BYUCPKIAAFYQTB-CYBMUJFWSA-N 436.567 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301485139 RSVZLCKGLFNRSO-KRWDZBQOSA-N 434.460 1.388 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1301499231 AJVPIHNFYJAVMY-IBGZPJMESA-N 435.532 1.673 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1302502648 JXZKNLONTHJERT-GOTSBHOMSA-N 438.532 1.852 30 10 IDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1303198533 DIUPXQOQWKMZEF-UHFFFAOYSA-N 446.577 1.551 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2nncn2C)C1 1303202689 FXUMFNJQCFRRAT-HOCLYGCPSA-N 430.534 1.429 30 10 IDEE CC(C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1303432146 GBVINJDQTHBYLB-LJQANCHMSA-N 433.513 1.626 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1303448820 ZOWNVHVWIKNUHM-XLIONFOSSA-N 437.548 1.498 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1[C@H]1C[C@H](c2ccccc2F)C1 1303865697 CRSNBLGRCNOENC-YHUYYLMFSA-N 448.524 1.875 30 10 IDEE C[C@](O)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1303886492 DBCVATGQOVPVNO-AUJRIZCKSA-N 430.896 1.519 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@]2(CCOC2)O1 1305153458 CQLRDBJFCGOGJE-FOIQADDNSA-N 431.518 1.246 30 10 IDEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C1 1316146801 ODUVEKHLITWZOE-APWZRJJASA-N 440.548 1.955 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)ccc1F 1320167756 ZAMFREOMGLNMLT-HNNXBMFYSA-N 443.500 1.018 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)n1 1320958904 PZAYBTZKIUGHES-UHFFFAOYSA-N 436.446 1.048 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1 1355669403 QDZQYZXAXNMUOW-GFMRDNFCSA-N 439.497 1.848 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)cc(OC)c1OC 1358415266 QWAHVQJQJUJTRE-CQSZACIVSA-N 434.493 1.203 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1358904200 YTVHNRPVBXTUCQ-UHFFFAOYSA-N 432.532 1.911 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1358962827 XZWOXXRXXLFLLL-MRXNPFEDSA-N 446.577 1.525 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358964852 IMWQFNRXTQNCNE-GOSISDBHSA-N 440.529 1.544 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCCn1cc(Br)cn1 1359024041 DJBWFKPRRVAHRV-HNNXBMFYSA-N 437.342 1.917 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359126494 RGMIJCFNRJQIQZ-MRXNPFEDSA-N 425.493 1.329 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1359294067 JGNBXOLDNFXXJW-CQSZACIVSA-N 435.431 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359333761 IQWRJRFQPSBKAL-QFBILLFUSA-N 431.562 1.868 30 10 IDEE Nc1cn(Cc2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)nc1C(F)(F)F 1443538355 SBNBNJPVSZQAJP-KNTRCKAVSA-N 448.405 1.789 30 10 IDEE COC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 1446179021 XXKTVIOUDOPHCO-UHFFFAOYSA-N 445.497 1.617 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)CC1 1455115781 RAYRSJBWFDPWSC-UHFFFAOYSA-N 445.545 1.551 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1468880617 BWDPKZSUAVOIQR-ROUUACIJSA-N 440.525 1.583 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)O2)C1 1470235024 OSNSGPBFYHQGSA-MGPWXQLLSA-N 434.493 1.188 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)cc1 1470512926 FZPZZKQVDLOPJG-UHFFFAOYSA-N 441.513 1.728 30 10 IDEE C[C@@H](CC(=O)N1CCN(CCc2ccncc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1470804862 DPZRBAQKVXBBQY-KRWDZBQOSA-N 441.557 1.286 30 10 IDEE Cc1c(S(=O)(=O)NCCS(=O)(=O)C2CCOCC2)sc2ccc(C#N)cc12 1475313491 CFHQYLNZSHVNAH-UHFFFAOYSA-N 428.557 1.954 30 10 IDEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1478506995 HZZWYTFQAIBFHY-IBGZPJMESA-N 436.516 1.688 30 10 IDEE CCOCc1nnc(N2CCC[C@](C)(OC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503079563 JNKMCLZYBXQOBR-CILBIJLJSA-N 432.525 1.736 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1503356561 ATMIIIPMJUFEQV-JTSKRJEESA-N 439.495 1.616 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503836955 NZWSVWSNHAUDJZ-QZTJIDSGSA-N 446.533 1.128 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507544916 FWOMMYXUJBXEPS-IRXDYDNUSA-N 447.561 1.605 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507635623 XXMAOSKRHADVDV-LJQANCHMSA-N 446.548 1.940 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCn2c(C)nc3ccccc32)CC1 1507716392 QFXOLMZSDOXNDP-UHFFFAOYSA-N 434.548 1.530 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2Cc3ccccc3O2)CC1 1507718362 CQNRYNVYWNMVCL-QUCCMNQESA-N 425.533 1.761 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1507792054 WDKRLDZAYKXBFJ-IEBWSBKVSA-N 432.569 1.846 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507803836 HIMPDQZWAUNQIA-PZJWPPBQSA-N 446.596 1.364 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1507835636 IJMBPQDCZPRMMM-UHFFFAOYSA-N 443.508 1.797 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507844902 RWZBMMVRYTVLFK-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1508080054 IRVJQBVXXWKGRI-UHFFFAOYSA-N 449.559 1.863 30 10 IDEE CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1510217381 HADOBVCSQQNDSY-NXOAAHMSSA-N 440.570 1.068 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539216967 YIYPKKWCMOWREU-QGZVFWFLSA-N 425.514 1.957 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2c(CC)nn(C)c2OC)CC1 1539484105 CGODQZFEYXHNLS-UHFFFAOYSA-N 439.564 1.549 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCC[C@@H]1NC(=O)NC1=O 1540126333 JIMKSQVNKKAQGN-KRWDZBQOSA-N 432.488 1.916 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1540858770 DLTHASZXGDHHML-SFHVURJKSA-N 432.550 1.081 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861353 NGMHWRABIVICDR-AVRDEDQJSA-N 434.585 1.541 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1540869683 UPQDBGPGLVFTAO-DOTOQJQBSA-N 441.511 1.386 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540900065 KFQHJYLMPAEEAB-AEFFLSMTSA-N 445.545 1.789 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](OC)C1 1540900539 ZDTNKQXCLSSVNM-INIZCTEOSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1540901848 QZLUGBXITRAAIH-HRCADAONSA-N 439.582 1.470 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)CC1 1542894512 AIIAWLQZRBBMTC-HXUWFJFHSA-N 444.532 1.398 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1544785039 ZTRBYKTUHKYPLZ-MSOLQXFVSA-N 433.486 1.035 30 10 IDEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1545024299 MFKLTCJSUQYTNN-MSVBSMQLSA-N 441.536 1.204 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC=CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1545860995 MXKUEFJPVGASDB-ZPHPHTNESA-N 427.509 1.489 30 10 IDEE Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cn2cc(C#N)c(O)nc2=O)c1C 1545876596 FOSMGMHQTISIRJ-QGZVFWFLSA-N 439.472 1.084 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1547253125 AHMHSCGBKLPEBL-HSZRJFAPSA-N 448.531 1.828 30 10 IDEE C#CCN(CC(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1558632693 JGLIEFNYIWXORG-OAQYLSRUSA-N 425.526 1.735 30 10 IDEE CC(C)c1ccc(-n2cnnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1558643055 KSIFBTOLDROTON-OXJNMPFZSA-N 445.570 1.880 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1568508290 LWIGDSSHJJXHAN-MBSDFSHPSA-N 442.516 1.801 30 10 IDEE CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1=O 1585133114 YPFVPUCHVNHBJC-GEYWLOKFSA-N 429.542 1.950 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1588039694 CDLZUOKNRINBHE-LJQANCHMSA-N 441.557 1.436 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1588138483 DQSIQWQKSZBUGV-DBBZSVRUSA-N 439.541 1.397 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(C)C 1588140355 VUQPSQSLCXKGEV-ZWKOTPCHSA-N 431.587 1.617 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1588166365 FFUOGMSOJOXKFK-GAJHUEQPSA-N 440.548 1.901 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1588166367 FGAHDEVQDCYHCB-GOSISDBHSA-N 442.541 1.763 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cncn1 1588190069 ZIBGFCFOLCFTJN-UHFFFAOYSA-N 435.488 1.726 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1588238270 OSWKSLTUXRQNMZ-FQEVSTJZSA-N 437.519 1.966 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588258823 JIKCCLNYLIHJRB-UHFFFAOYSA-N 432.525 1.267 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(Cl)nc2)CC1 1588876700 FYYQFKUISVYSIQ-HKUYNNGSSA-N 430.940 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCO[C@H]2CCOC2)CC1 1588913154 AFKHADXKOBZVGU-IBGZPJMESA-N 440.548 1.445 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1588975222 FOTJQTJDGKYACP-OAHLLOKOSA-N 448.574 1.305 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1594628150 ZSARPXLLEIWVCV-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H]2C(=C)C)C1 1595722371 JNICZKJZJNVINK-NCXUSEDFSA-N 436.578 1.943 30 10 IDEE C=CCc1ccc(OCC(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)c(OC)c1 1596924628 IVKAGHULQBEWCB-UHFFFAOYSA-N 445.516 1.750 30 10 IDEE Cc1nc(=NC(=O)c2c(I)n[nH]c2C)n(-c2ccc(C#N)cc2)[nH]1 1610924850 FOGRLZITJWMMIP-UHFFFAOYSA-N 433.213 1.758 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2nc(C#N)cs2)cc1 1611671510 YZCDBUCXHDFNGJ-UHFFFAOYSA-N 435.531 1.091 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1Cc1ccc(C#N)o1 1611684116 GXRXBIJGXWNNTF-GOEBONIOSA-N 448.549 1.654 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2/C=C\C)CC1 1615209775 VGBJAJYQTVTCCC-ZHHAWYBESA-N 432.565 1.329 30 10 IDEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1616613582 BKFAIQKVVDXEMW-SFHVURJKSA-N 448.549 1.283 30 10 IDEE C=CCOc1ccc(CC(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 1618369923 XADDDKXOMKVBFV-UHFFFAOYSA-N 429.561 1.871 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1618377779 LRQSMACRQYRILS-AWEZNQCLSA-N 448.325 1.301 30 10 IDEE CN1C[C@@](C)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1618458303 LOENQZBFXJBNCD-UWJYYQICSA-N 442.545 1.167 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(c3nccc(N4CCOCC4)n3)CC2)c1 1620459297 LZAHAMUFMJMMDI-UHFFFAOYSA-N 448.527 1.822 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)C1CSC1 1629034155 SWYSCGGBSWPTAD-UHFFFAOYSA-N 447.376 1.565 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1 1634460960 RSGIFGDVSHYIJQ-LAKQMRRBSA-N 429.521 1.168 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)n1 1634601031 IBXWWRYEHPLUPH-LJQANCHMSA-N 444.536 1.833 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H](CO)CN1CCCC1 1636962664 WONABCVNXUMMSX-AZUAARDMSA-N 428.533 1.965 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)NCCN3CCCCCC3)n[nH]2)c1C 1637968465 WKISWDQOISUDOV-UHFFFAOYSA-N 427.553 1.798 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1638678552 MDNUGAPCYSINOX-GOSISDBHSA-N 439.965 1.087 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCC(S(C)(=O)=O)CC2)s1 1644828345 LDAOZIRZFOWZCJ-UHFFFAOYSA-N 434.605 1.475 30 10 IDEE N#C[C@]12CN(C(=O)/C(=C/c3cccnc3)NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1648156112 VYRNGMORKCWHCX-DXTKNHITSA-N 436.493 1.249 30 10 IDEE Cc1ccc([C@H](NC(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c2cccs2)cc1 1656828053 HBACXLWZUFHGKU-FQEVSTJZSA-N 438.509 1.458 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 1666353587 LVFADWWJFXZLTO-UHFFFAOYSA-N 425.576 1.484 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CN(C(=O)OCc3ccccc3)C2)c1 1669672522 HWSICOJCUDEGMH-UHFFFAOYSA-N 429.498 1.902 30 10 IDEE C#CCN(C(=O)N[C@H](COC)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1684848891 NSQCXXCGGAQZQK-JKSUJKDBSA-N 429.336 1.969 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCC1(F)F 1686054986 FRFNDUFQOORFJE-HZSPNIEDSA-N 430.452 1.975 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1690175492 YNEPULZCPZKWPN-CRAIPNDOSA-N 427.530 1.824 30 10 IDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690479002 QXXOBVIZXNRNMB-UHFFFAOYSA-N 445.549 1.890 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)N(C)C 1690527206 KZDQHAUIVGXEDE-NVXWUHKLSA-N 438.554 1.129 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690667189 TWRWRMVFWXJPIF-MRXNPFEDSA-N 438.532 1.751 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncnn2C(C)(C)C)C1 1690709010 BRPFLUUUSXRDED-MRXNPFEDSA-N 428.541 1.577 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2c2cnn(C)c2)CCOC1 1696030669 RZDJWSMQHYHXQI-HMFYCAOWSA-N 442.568 1.929 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1697499153 UHUKCUJNZKUHFV-IEBWSBKVSA-N 440.504 1.339 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CCO1 1698493586 NATQOKJMSSBRTC-FUHWJXTLSA-N 437.566 1.648 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705517298 SKSRXHFUNPTCOS-ROUUACIJSA-N 435.594 1.677 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705517437 VQRIJFFGRZUAIL-HOTGVXAUSA-N 434.522 1.253 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1705564812 CXCAPUZHQSXILC-IAGYGMIVSA-N 449.577 1.204 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCCN1CCN(c2ccncc2)CC1 1705579677 PGIVYPYFLGKCDE-UHFFFAOYSA-N 428.544 1.953 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705658613 VATPFFPXKBGSNN-UHFFFAOYSA-N 444.609 1.035 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1705695243 AXGXVNJWPWSKFS-JJXSEGSLSA-N 429.612 1.811 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1705733458 OBJFLFUVSFXUNQ-NRFANRHFSA-N 437.508 1.215 30 10 IDEE C=CCCOCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705832996 QLRHXAKJJBBBEY-JOCHJYFZSA-N 436.553 1.909 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ncccc2F)CC1 1705902611 IIMGQTMBBTWERP-MRXNPFEDSA-N 429.500 1.335 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(C(=O)OC)CC2)C1 1705922518 NYWWCLUNCVMTCF-QGZVFWFLSA-N 427.509 1.995 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCSC1 1706621331 PGUIQFIOFSSONP-INIZCTEOSA-N 440.577 1.763 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1706751321 KEXMGRHTYQOPIM-BBRMVZONSA-N 429.456 1.723 30 10 IDEE C[C@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 1708245310 IBWAHJARHMJKRR-SUWCGCSTSA-N 429.569 1.859 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1710905239 DQSMHIZVDWJRAH-INCQDFKNSA-N 430.534 1.862 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1722323204 BSOHAUPUQPGQKQ-XWSJACJDSA-N 434.610 1.612 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722333772 ZFZQUFMXTMINSN-ULQDDVLXSA-N 425.555 1.028 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1722391740 SYKYYVJRMWDPPV-HSZRJFAPSA-N 427.549 1.700 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC=CO2)n1 1722428921 CVDVDRGAWIQVRZ-QUCCMNQESA-N 426.521 1.957 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722435715 SHOKFBDEMLIRID-KRWDZBQOSA-N 429.546 1.144 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)C(C)C)CC1 1722436523 AOHVKVGZUNDHBQ-OFNKIYASSA-N 425.533 1.953 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)CN(C)C)CC1 1722448833 ZFNSTYUTSHEDMD-LJQANCHMSA-N 430.597 1.726 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722460774 LSKRDNOQGMVPKC-QGZVFWFLSA-N 439.545 1.103 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cncn2)nc1 1722501287 MVXUMYJVALHGEY-HNNXBMFYSA-N 445.553 1.315 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722527292 FSACYQQCKBFPOO-GOSISDBHSA-N 429.525 1.209 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)C1 1722718284 IGFUESGFPYPHNA-ZWKOTPCHSA-N 446.577 1.471 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(C(=O)OC)CC2)C1 1722720011 DYHCTZXPIXQADA-GOSISDBHSA-N 446.552 1.660 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1Cc1ccc(C#N)o1 1723923667 ATMNYRZTVCCJEP-KBPBESRZSA-N 434.522 1.407 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2CCCNS(C)(=O)=O)cc1C 1724379860 INDDLWBAAIGMRU-AWEZNQCLSA-N 447.565 1.682 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1727096567 WIPLMHZULAGHSF-RBZFPXEDSA-N 431.472 1.753 30 10 IDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1=O 1730779748 YODNTRBNBVSVOV-MOPGFXCFSA-N 430.553 1.797 30 10 IDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1730976857 DKDHFABGUFGEOB-QGZVFWFLSA-N 436.476 1.107 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1740553670 TVXGFFNPPZBUMT-ARFHVFGLSA-N 441.623 1.601 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740572118 ZWCSJVSLPJDZDV-HOJAQTOUSA-N 441.580 1.022 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740586077 NZRFFSGLXMZCRM-SFHVURJKSA-N 444.561 1.384 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1740681629 SRXYCDPDIGAWBI-UHFFFAOYSA-N 444.967 1.849 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCNS(=O)(=O)c2ccccc2)CC1 1740691200 WXIYIDIULOVZKS-SFHVURJKSA-N 430.578 1.525 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nnc(CC)s2)CC1 1740691902 CBRMMUNBOXZPFQ-HXUWFJFHSA-N 431.566 1.148 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(C)COCCO2)CC1 1740698960 RMKIIAQLIFEJEP-DEOSSOPVSA-N 439.560 1.633 30 10 IDEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740782159 FOLPXDYXDNZXTP-SFHVURJKSA-N 430.553 1.298 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1740788299 QVLKJVUUQRSCEK-GOSISDBHSA-N 447.561 1.656 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740958116 INOGFBYIKRPUBH-OAHLLOKOSA-N 434.447 1.769 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 1741983123 GKZDMASXLQMNHI-VQIMIIECSA-N 425.555 1.711 30 10 IDEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1743111166 CVKYCMDLTGXGAT-MRXNPFEDSA-N 433.534 1.779 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1747704078 AFKMRWXKCNCBCB-QGZVFWFLSA-N 444.561 1.951 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1748714320 YHLFYPSPEFYFGD-QHCPKHFHSA-N 433.516 1.697 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1748815049 MYPATAUDVZPEBD-SFHVURJKSA-N 427.530 1.124 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1748864568 ZMVNWYHKNIHISZ-GOSISDBHSA-N 440.573 1.868 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCNS(C)(=O)=O 1748917115 NHMXRXRKKUFPLB-UHFFFAOYSA-N 444.330 1.855 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1749112150 CLVGPTKIKSQRNX-QZTJIDSGSA-N 440.342 1.555 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749126592 FADJXDSXGNSDFC-NSHGMRRFSA-N 438.532 1.946 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1749193465 KAYLMWGZOVGPJM-MAUKXSAKSA-N 427.596 1.521 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1749228478 AGOYNYAGDBJMSD-CQSZACIVSA-N 435.497 1.049 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749729694 OPXFFQNOHKIHSH-KRWDZBQOSA-N 441.561 1.743 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC=C 1760102612 NGUOCPXBLRJXRN-OAHLLOKOSA-N 436.559 1.407 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760244550 YXNZHSGWQFUZRR-PMOQBDJRSA-N 448.564 1.743 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C 1760247680 KVFWLIRMOXTDQN-UHFFFAOYSA-N 444.561 1.414 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1760268557 UCGZVBKNLJUUPB-QHCPKHFHSA-N 438.507 1.528 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760349090 YRHFPCNVPHNQSN-IBGZPJMESA-N 443.552 1.901 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760449229 DRUCNCAZJOWUFB-LJQANCHMSA-N 440.552 1.071 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1OC 1760465042 VIZSTBHACVRBJD-QGZVFWFLSA-N 439.513 1.429 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1)C1CC1 1760471088 MBQOBJVBLGWRCX-OAHLLOKOSA-N 429.550 1.934 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C 1760517829 ZKKZAAWRLIRCPZ-OAHLLOKOSA-N 432.550 1.486 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1760523413 XIYZDTUFWCFIOP-GOSISDBHSA-N 441.442 1.893 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760524654 FCHWZIVBUAJXCW-DLBZAZTESA-N 433.578 1.737 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1760527438 XAYFOBYANAJVRU-INIZCTEOSA-N 427.505 1.604 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3ccnn3C)C2)nnc1[C@]1(OCC)CCOC1 1760528447 CMKCRKYNBZGGSD-VGSWGCGISA-N 443.552 1.350 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1760552043 AAQJAGBOKGIQKF-UHFFFAOYSA-N 447.483 1.778 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760556733 OJWCYDPEXMRIDK-SFHVURJKSA-N 441.561 1.592 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)on1 1762683498 DEGZSULNCBUQJC-SFHVURJKSA-N 442.501 1.697 30 10 IDEE CCc1nnc(N2CCN(c3cccs3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764915717 CJSPIYNTYQXKKF-HNENSFHCSA-N 427.534 1.755 30 10 IDEE O=C(Nc1c(F)c(F)nc(F)c1F)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1851321373 UQVXFDLLIACCEC-ZCFIWIBFSA-N 438.325 1.685 30 10 IDEE N#Cc1ccc([C@@H](CC(=O)NCC(=O)N2CCOCC2)N2Cc3ccccc3C2=O)cc1 1851743651 XQRYNHHLFIKBGB-OAQYLSRUSA-N 432.480 1.620 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2Cl)CCO1 1852748601 IVPIRRXKQKKERL-SJLPKXTDSA-N 433.917 1.981 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(-c3cccs3)nn2C)C1=O 1854282417 IKGSSUCUGQDBBQ-HOTGVXAUSA-N 427.530 1.608 30 10 IDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)CC1 1855590983 PZJAIOVJHSUQPX-MRXNPFEDSA-N 431.514 1.248 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)O)c(C(=O)OCC)c1C 1860760831 DZDNUEQBJCEQEQ-LLVKDONJSA-N 438.458 1.590 30 10 IDEE Cn1nc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)cc1-c1cc(F)ccc1F 1867101762 XNFPCKCGCPHAQV-SFHVURJKSA-N 425.395 1.966 30 10 IDEE N#Cc1ccc(COc2cn(CCO)c(CN3CCN(c4ncccn4)CC3)cc2=O)cc1 1870350569 MFAKLPIJMRQZDZ-UHFFFAOYSA-N 446.511 1.403 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCCCCO 1870584176 QXMITWQLSWILPF-UHFFFAOYSA-N 433.549 1.423 30 10 IDEE CCCCCCCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCNC(C)=O)C2)CC1 1872941862 RTPQISFBVYILIB-HXUWFJFHSA-N 436.597 1.686 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3nc(N(C)C)nc(N(C)C)n3)n[nH]2)c1C 1889907045 BJGLHALLTSTLRU-UHFFFAOYSA-N 438.540 1.713 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(O)CC(NC(=O)OC(C)(C)C)C2)C1 2247550303 NUEHFBGAFDFWAK-UHFFFAOYSA-N 437.537 1.828 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542406 QYYMABXRJJUAOL-ZIAGYGMSSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255595012 GNQKINWEARUJDB-ZSEKCTLFSA-N 432.330 1.838 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)[nH]n2)OC1(C)C 2255628936 OUABEWLNBHTERL-LLVKDONJSA-N 430.236 1.240 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2255648229 KMSZNLXROFVXCW-LSDHHAIUSA-N 432.330 1.553 30 10 IDEE CC1(C)OB(c2csnc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255809648 AXXHSEPGJCLEIG-KRWDZBQOSA-N 442.394 1.646 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255825049 STPKXGRIRKRZLC-UONOGXRCSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)s[nH]1 2255848017 VLCLIODHCMYRHV-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2267111575 USJGWLRCGDNEIP-UHFFFAOYSA-N 445.325 1.190 30 10 IDEE CCc1nn(C)c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267146498 LCHBJYHFOQYXLF-UHFFFAOYSA-N 448.373 1.878 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267182448 GRIAMUHPXSXEIJ-SQWLQELKSA-N 446.357 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2267263592 ICYLPJDSIPMTMG-NRFANRHFSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267265134 AWKSJFXGUUZQBC-ZBFHGGJFSA-N 447.341 1.650 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1O 2267290854 IQNATKYXSXPZSW-LXZKKBNFSA-N 449.357 1.708 30 10 IDEE C[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)CC1(C)OCCO1 2282861934 WLBSPDYNTVHHGB-CQSZACIVSA-N 426.344 1.448 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccco2)c(C)n1 2296610740 DHFNUUOXKPTKMR-IBGZPJMESA-N 426.473 1.830 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO[C@H]1C2 2334265321 DAQJESJZRMQJDQ-ZMPRRUGASA-N 447.341 1.868 30 10 IDEE COCCCN/C(=N\c1ccc(C(=O)O)cc1)N1CCN(CC(=O)NC(C)(C)C)CC1 21047224 BNOGPHYEINHQCO-UHFFFAOYSA-N 433.553 1.531 30 10 IDEE COc1cccc(C(=O)/N=C(/NCCN2CCOCC2)Nc2ccc3c(c2)OCO3)c1 46140693 LIBDWTKATYPRRQ-UHFFFAOYSA-N 426.473 1.954 30 10 IDEE CC(C)Cc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443849 HUWISPBPNKTCEC-MSOLQXFVSA-N 448.527 1.894 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccco1 102747271 LYYBYYBPHSTYTH-LAFOYAEKSA-N 428.489 1.774 30 10 IDEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 103089207 PBOKUHSHROIFIQ-HUZQBFDWSA-N 436.468 1.990 30 10 IDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)CN2CCN(c3ccc(Cl)cc3)C2=O)C1 219963265 YZXIECFSWWUDRC-INIZCTEOSA-N 426.864 1.924 30 10 IDEE COc1cccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1O 254837695 MMZDCFFSLNEYJG-UHFFFAOYSA-N 434.456 1.642 30 10 IDEE N#Cc1cnc2c(Br)cccc2c1N1CCN(CC(=O)N2CCOCC2)CC1 440666858 PBGIFIQUQREJGL-UHFFFAOYSA-N 444.333 1.850 30 10 IDEE N#Cc1ccc(C2(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3O)CC2)cc1 444257836 FLPOGNNEERYQIW-UHFFFAOYSA-N 427.482 1.955 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 464543550 AVPQZLJRYBSCFE-LJHODMEESA-N 430.530 1.084 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 468789490 CDHWTFSHQRRATB-UHFFFAOYSA-N 432.502 1.495 30 10 IDEE Cc1ccc2nc(CNC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[nH]c2c1 484086329 ZEVKWQKYIHNLLJ-GOSISDBHSA-N 430.468 1.671 30 10 IDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508508844 LTFQSSRGJOECIA-LJQANCHMSA-N 447.561 1.629 30 10 IDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 508999549 HIVNUASSZSKWND-UHFFFAOYSA-N 433.520 1.946 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 513086942 XILZNMYDZXLNEM-VGOFRKELSA-N 427.526 1.778 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCN(c3ncccc3C#N)CC2)cc1 513743962 FFTFWCADFNJFPB-UHFFFAOYSA-N 427.530 1.898 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCn2nnc([C@@H](NC(=O)c3ccccc3)C3CC3)n2)c1 513785092 FUYMLBZVFBOGNQ-IBGZPJMESA-N 436.497 1.900 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)NCc3ccccc3)cc21 526841036 UBWKGAJWPVGZPC-SSEXGKCCSA-N 426.494 1.846 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)nc1 531884479 RLDIODMSJLTBPS-UHFFFAOYSA-N 430.533 1.787 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)nnc12 532266569 DAAJXIZGXRECJH-ZIAGYGMSSA-N 440.529 1.483 30 10 IDEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 575234002 WFLZUFNWCZOFPI-UHFFFAOYSA-N 448.531 1.664 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)/C=C/c2ccc(F)cc2)C1 585824358 PNIJJMZWOJMLCH-XHYTXEILSA-N 435.455 1.941 30 10 IDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669817000 BDLRUOPZKPYPQL-HNNXBMFYSA-N 426.477 1.621 30 10 IDEE COC(=O)CN(Cc1ccccc1)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742557816 CFDVGUHXASNHLH-HNNXBMFYSA-N 429.498 1.706 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1C#N 747499147 WUBXBHPYNJUZQP-UHFFFAOYSA-N 435.484 1.209 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1=O 749960869 XYVXLPYKISEDTQ-JKSUJKDBSA-N 448.520 1.601 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@@H](C)c1cccs1 751922354 DCMIRXWIWRKRJU-JGNLBXAPSA-N 439.607 1.312 30 10 IDEE C#CCN(CC#C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 752151736 APFHXVOSLPSYRO-UHFFFAOYSA-N 429.542 1.012 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(CCC(=O)N(C)C)CC2)ccc1OC 761688992 UTPKDWJTGZYDJE-SFHVURJKSA-N 431.537 1.682 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 774255845 LAZXZZKURLNFMF-SFHVURJKSA-N 447.605 1.781 30 10 IDEE N#Cc1cnn2c(O)cc(COC(=O)c3c(N)cccc3I)nc12 784613367 BQGVCHRYPKWDGO-UHFFFAOYSA-N 435.181 1.850 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCn2cc(C(=O)OC)nn2)C1=O 790001408 JSCLRPNCEOFLFS-HNNXBMFYSA-N 430.490 1.141 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](N2CCNC2=O)C1 800775045 GRVVWKUHTCUMRU-SFHVURJKSA-N 439.520 1.885 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1OC 806803912 BIXAWNBBGGRZCT-IAGOWNOFSA-N 438.550 1.942 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1n1cccn1 819390419 CKLQMLYOHRGTMJ-HWLIBYHHSA-N 431.518 1.235 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1C 914678900 FVBFHHYCUOLIRT-CQSZACIVSA-N 431.470 1.724 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCOCCO)C(=O)[C@]12C 1075950905 RWSXYEFZKRKYSB-DAXPHYLKSA-N 431.441 1.167 30 10 IDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2N)cn1 1084374534 CANXLZGEOSHPMD-UHFFFAOYSA-N 428.478 1.919 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 1160609775 LHUJSOXJVGZLBR-LJQANCHMSA-N 447.538 1.599 30 10 IDEE COC(=O)[C@@H](Cc1cncs1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1175926595 RUAKOKPYIOYVST-RTBURBONSA-N 445.520 1.365 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CCO2)O1 1175935934 RFAXLIMEOVWWPW-ACRUOGEOSA-N 446.523 1.387 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)C2=O)cc1 1227632080 LDWRZOYVPQCPLJ-MOPGFXCFSA-N 430.530 1.268 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(O)c2)CC1 1286350139 VRTYCVKVJFTLOW-KRWDZBQOSA-N 429.546 1.626 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1286390199 YMYJVQYUTIDIBR-QGZVFWFLSA-N 440.504 1.858 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1286428038 AIACBWHTYJDLJU-JOCHJYFZSA-N 446.555 1.573 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286705975 INFQKHQULDXDHX-MRXNPFEDSA-N 440.508 1.074 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286713914 HGHAVWGHFLSCHY-OALUTQOASA-N 432.569 1.150 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC)C1CC1 1286736533 GDVJCQDBDORRHK-ZWKOTPCHSA-N 438.598 1.250 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286790009 JKPGOBWFFVLDDH-FQEVSTJZSA-N 449.559 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1286824348 BKLNSUARJMDLHT-QKLQHJQFSA-N 442.582 1.535 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1287114092 QGLCJEYSTMKCJZ-QHCPKHFHSA-N 435.532 1.600 30 10 IDEE N#Cc1ccc(CC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)cn1 1289462708 IELNMXBWOUGEJR-QGZVFWFLSA-N 446.248 1.800 30 10 IDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCN(C)C)CCO2 1291325925 OQTQRLJZFIZLEL-FDDCHVKYSA-N 440.548 1.779 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1291825559 BPJWSGCTHPNJTI-LPHOPBHVSA-N 442.520 1.899 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(COC)CCOCC2)CCOC1 1296662449 CTIOXKGNDNQJQZ-UTKZUKDTSA-N 435.525 1.102 30 10 IDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CC1 1298037033 FUNUTJVVFCRVGL-AZUAARDMSA-N 437.548 1.771 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1298665847 FUBCJWZHKOEUTJ-GSHUGGBRSA-N 428.489 1.959 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCCCc2nc(-c3ccccn3)cs2)C1=O 1300016178 NYSQEDAGMZQBNT-UHFFFAOYSA-N 427.486 1.621 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1OC 1300076078 BMNACWCCRLRUDJ-SJLPKXTDSA-N 442.520 1.412 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)CC 1300603065 NMHACOGMHVGYME-LJAQVGFWSA-N 436.607 1.775 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(S(C)(=O)=O)cc1 1300642146 NSQQAVPHYVKIHT-HKUYNNGSSA-N 432.546 1.913 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCC[C@H](C)C2)CC1 1300726927 UHPWLDJPFRFOMO-AZUAARDMSA-N 428.581 1.480 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300754287 NKIQOOYLQGMWOV-KRWDZBQOSA-N 446.602 1.711 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300769213 CALHQQGZEOUDTD-LJQANCHMSA-N 440.577 1.608 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1300857646 PSFAGVNUWCBOCJ-MOPGFXCFSA-N 447.561 1.739 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)OC(C)(C)C)CC1 1301106449 UWJHSFDWEJVABK-CQSZACIVSA-N 442.586 1.815 30 10 IDEE COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1301871781 PNRGLQFXUUKWLP-INIZCTEOSA-N 427.509 1.184 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1nccs1 1302093965 OGPPFSAAWUAGAL-NVXWUHKLSA-N 431.566 1.878 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 1303086314 XMBCKPMERBXZQW-UHFFFAOYSA-N 426.542 1.280 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2cc(I)ccc2-n2cnnn2)C1 1303557058 BFPUOOGUAUMMQM-CYBMUJFWSA-N 436.257 1.094 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1304719413 DZFDDCHBJBWTSR-UHFFFAOYSA-N 448.531 1.662 30 10 IDEE COC(=O)c1cc(Br)c(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1308100463 QCCWJWFSHCZODD-SJCJKPOMSA-N 443.319 1.614 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1309655958 GCFRNSYPJQCSQK-UHFFFAOYSA-N 443.533 1.177 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1314852484 CFBFVOCHIUZAIH-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315694543 GIJRPGQCHBXXBK-UDJKBAMHSA-N 425.493 1.425 30 10 IDEE O=C(N=C1NS(=O)(=O)c2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 1318176278 PMGGDFWUHYIRFZ-UHFFFAOYSA-N 433.511 1.353 30 10 IDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318287594 SVOUTMLDGOKDDW-PKOBYXMFSA-N 437.544 1.503 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCCC)c1 1358871240 BJRZYMXZVOFNKX-CVEARBPZSA-N 446.577 1.534 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1358889815 HCIATBKJCIDMBL-SJORKVTESA-N 439.582 1.418 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1358913244 JENGCXFZBNRZFE-SFHVURJKSA-N 435.594 1.285 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1358936890 AKWKQJBWYPLMEJ-HBMCJLEFSA-N 430.597 1.632 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1358978532 OWTIHUQQTGKJIL-HNNXBMFYSA-N 431.484 1.137 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1358984840 IHORKEJZEVCMOJ-IRXDYDNUSA-N 432.550 1.247 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359131195 LDIDHGIARYSWMZ-IBGZPJMESA-N 427.553 1.876 30 10 IDEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)c1cc[nH]n1 1359719269 HNHRFTVQQMWYPJ-UHFFFAOYSA-N 447.547 1.748 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccn2)CC1 1454750706 DTXDNFWAGNLLFO-IBGZPJMESA-N 440.548 1.951 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCOCCN2C(=O)c3ccccc3C2=O)[C@H](C#N)C1 1460075484 KHRZQCHZGVJRIG-MRXNPFEDSA-N 428.489 1.744 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1 1469229392 VPZIQHYCAWYVFD-SJLPKXTDSA-N 433.530 1.680 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(Nc4cccc(C#N)c4)C3)C2=O)cc1 1470618367 KOSWGPYOALVYIY-HXUWFJFHSA-N 428.452 1.958 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1O 1504262538 BCMQOPWRMMHBRV-KPZWWZAWSA-N 438.485 1.093 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507620820 LWEAZZOCSVTWRU-UHFFFAOYSA-N 426.468 1.630 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnc(C)s2)CC1 1507720783 WPBHUOOFJPHXLU-NRFANRHFSA-N 430.578 1.887 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(COCC)cc2)CC1 1507728508 ZLNBKXOGMBAPKH-UHFFFAOYSA-N 436.560 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CCC2)CC1 1507738454 PJCSWONHZXEKMR-MRXNPFEDSA-N 430.578 1.481 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1507772425 KLQIBKJTGLQDGQ-DYESRHJHSA-N 435.594 1.283 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1507807474 NJLILHKDBXNPCD-NLWGTHIKSA-N 432.569 1.369 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCCS(C)(=O)=O)CC1 1507880821 KECBSBLODOAXEC-HNNXBMFYSA-N 433.600 1.260 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1)C1CC1 1507992312 BEDROEZFEFLZKX-YLJYHZDGSA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508074209 PBRHKCALVVNFBB-QFIPXVFZSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1508094648 IALCBOCZRLCYQX-QGZVFWFLSA-N 426.521 1.076 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N2CCOCC2)C1 1508118137 WTPWSVQRPMBSKJ-WOIUINJBSA-N 435.569 1.432 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1515122378 MZWGTWNPPFBIAO-IRXDYDNUSA-N 440.460 1.369 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC2)C[C@H]1O 1517690601 SPTIOOUMYWXMRI-WOJBJXKFSA-N 438.532 1.663 30 10 IDEE COCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1519356803 YNLDYNVZNVUDCT-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1519359163 UDKDCXKWSALCOC-GOSISDBHSA-N 433.534 1.493 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCN(C)CC1 1538519967 ORDWEHZHXYLBNV-UHFFFAOYSA-N 428.558 1.515 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2COCCO2)c1 1539040198 OFGISRYYXHELSV-FQEVSTJZSA-N 432.484 1.812 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539444254 LOVUNWHXRWIVPO-SFHVURJKSA-N 449.481 1.358 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539480575 CFBABNACZNTPDJ-MBSDFSHPSA-N 429.565 1.689 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539636196 JTFJTTNJHQCGRQ-HKUYNNGSSA-N 430.553 1.093 30 10 IDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1540019956 OELWNDPABQCVKJ-SFHVURJKSA-N 441.598 1.625 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1540034192 YEWVAUJWKJXKDK-SFHVURJKSA-N 429.525 1.441 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1540073392 PSWSOJIKYANZKY-CQSZACIVSA-N 426.568 1.300 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1540199427 ZXUDYYNKJPAXEZ-UHFFFAOYSA-N 434.504 1.613 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1540909382 GGQUOTFHGHTQTC-SJORKVTESA-N 442.655 1.872 30 10 IDEE Cc1ccccc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542710278 VXSDPWZNXNHZHP-HZSHHLKBSA-N 449.515 1.447 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1547549081 HLTDVMYUFMDIPU-GHTZIAJQSA-N 445.545 1.372 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1547725577 HYJRZTJEMYFCBF-XXBNENTESA-N 444.628 1.820 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(C)=O 1555641343 XYDDAUQUUPIEEZ-AWEZNQCLSA-N 443.508 1.063 30 10 IDEE COCCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1555685690 WIKIGUZQXCCEKQ-NRFANRHFSA-N 430.484 1.932 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1555688088 SQVQCKOVSZORCQ-ROUUACIJSA-N 428.493 1.369 30 10 IDEE CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC#CCO)cc2)cc1 1556370369 QGOQUXGFWAOTEF-UHFFFAOYSA-N 432.498 1.401 30 10 IDEE N#Cc1cccc(C2(NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CCOCC2)c1 1557540564 YARCMYZJZCAORV-OAQYLSRUSA-N 440.544 1.393 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C2)c(=O)nc1O 1558806694 YHMGCXFQXKTTLG-UHFFFAOYSA-N 441.245 1.466 30 10 IDEE C=CCCOCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1564481003 PHNADQRGWCEUAF-UHFFFAOYSA-N 431.278 1.506 30 10 IDEE COc1cc(CN2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc(OC)c1OC 1566141647 ARCMDWXVEODVPO-UHFFFAOYSA-N 426.473 1.951 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1569725406 WVLKAUSAEWPCGP-HNNXBMFYSA-N 427.548 1.189 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1583239110 SBURAJMMLLCJKE-MSOLQXFVSA-N 436.530 1.708 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1587086199 NWJDWOWYRISYKB-UHFFFAOYSA-N 433.468 1.849 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(OCCOC)CCOCC1 1587620447 FCWDBXXUHMCBRQ-MRXNPFEDSA-N 445.520 1.676 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1587862092 SUYGLNVOZBQLTG-MSOLQXFVSA-N 435.594 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1588158491 DCROULVVWZSUSS-RTBURBONSA-N 426.565 1.361 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1588265786 HFYMMNOPNBXYFB-MAUKXSAKSA-N 436.557 1.790 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)[C@H]1CC 1589482240 HVWLGOWKTGRLCI-NXHRZFHOSA-N 432.569 1.893 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCn2nc(C)nc2C1 1593763165 CIPOCJOOAMBLOM-UHFFFAOYSA-N 442.549 1.782 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 1594625115 DQJBZMNGCLMWPD-ZACQAIPSSA-N 427.571 1.581 30 10 IDEE CC(C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1602677208 RSLNBYXJRZEXBI-HTXNQAPBSA-N 441.536 1.377 30 10 IDEE COC(=O)C1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOCC1 1611370309 FPFMPJDPECJRQL-BXFSZVDSSA-N 435.521 1.859 30 10 IDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1611792586 BGDDIZWQCPTGEB-UHFFFAOYSA-N 433.534 1.493 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1Cc1ccc(C#N)o1 1613327402 IVBCPNIMXAHNKB-MRXNPFEDSA-N 429.525 1.189 30 10 IDEE CN(C)CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617697084 LWQGAFKAWZLUPJ-UHFFFAOYSA-N 449.563 1.455 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)[C@@]4(C#N)CCCOC4)CC3)[C@@H]2C1 1618085097 DIPSISXFPIMEHF-HYFFOGBASA-N 448.520 1.738 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 1626833583 CIUBSRBBXWWXRC-BFYDXBDKSA-N 434.562 1.692 30 10 IDEE CCOCn1nc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 1629484910 FEJSLGMMIMKQNY-UHFFFAOYSA-N 445.545 1.441 30 10 IDEE CN1C[C@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1632183712 RBNNSCRZIJQTQL-QZTJIDSGSA-N 428.489 1.536 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(O)c(CO)c3)CC2)cc1 1633515523 DSIZKPDPMSOTEL-UHFFFAOYSA-N 443.525 1.516 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)NCc3cc(F)c(C#N)c(F)c3)c(CCO)c2=O)n1 1633679261 DLMWFATUMVOBNT-UHFFFAOYSA-N 428.399 1.187 30 10 IDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1=O 1635415477 HXXLYYASPKRDCN-FDDCHVKYSA-N 432.484 1.823 30 10 IDEE Cc1nc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c(C(=O)NCCO)n1C 1635938538 ZNTIXQQIWOGETK-UHFFFAOYSA-N 433.509 1.040 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCc4cc(Br)ccc43)C2)c(=O)nc1O 1638061756 WAPHNIDOQDMBQT-OAHLLOKOSA-N 430.262 1.837 30 10 IDEE Cc1c(Br)cccc1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1638314940 NLQIOKDXPJMSFL-YOEHRIQHSA-N 426.336 1.880 30 10 IDEE CC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2 1639081911 UHNDHHMWGWBCFH-AAVDRXDWSA-N 438.550 1.402 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cc(C#N)cc(N(C)C)c1 1639894981 UOJBCJBNNJEHAH-UHFFFAOYSA-N 431.474 1.583 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C2)c(=O)nc1O 1640636692 LKNAZAXYIIMSKF-AWEZNQCLSA-N 431.861 1.360 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)OC1(C)C 1643827207 BLHNLURREFEDOE-HOCLYGCPSA-N 440.371 1.107 30 10 IDEE C=CCN1CC[C@@H](N(C)C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1=O 1645435381 YEVQPCDFQZTNSZ-ZWKOTPCHSA-N 428.489 1.117 30 10 IDEE COCc1ncc2c(n1)CCN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)C2 1648003781 CKPOAWHOQDATHY-NRFANRHFSA-N 438.507 1.529 30 10 IDEE CCOC(=O)C1([C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 1648075111 SWWUYYGYZQVYBM-CABCVRRESA-N 437.518 1.090 30 10 IDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1648535033 CFGLXUAXTRYOAS-GOSISDBHSA-N 441.463 1.359 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)NC[C@@H]2CCCN(CC#N)C2)CC1 1650833972 PFJMXFFIMLPRGT-INIZCTEOSA-N 431.541 1.815 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H](CO)c3cc(F)ccc3F)C2=O)cc1 1653742264 XACCURRKEJAAEG-ZWKOTPCHSA-N 428.395 1.891 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c1 1655788589 LZELBEKNIQWSFA-CQSZACIVSA-N 433.452 1.824 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1660692764 FRRIQRBRLMQFTH-GJZGRUSLSA-N 444.554 1.482 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1Br 1663328534 CKAACTWTQUXDHV-OLZOCXBDSA-N 437.312 1.800 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)nn1 1663554949 IDJLAYGNQWMBET-UHFFFAOYSA-N 432.275 1.333 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2)C(=O)OCC 1664948124 YTZMLUGLUJSLAS-GDBMZVCRSA-N 431.894 1.906 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 1670658017 WOVYZKRDSCEHRS-AWEZNQCLSA-N 433.452 1.756 30 10 IDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1670709130 DHQZPMGYLLEPDS-JTQLQIEISA-N 437.255 1.394 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 1671071445 FVIUEBHNKTXGAW-UHFFFAOYSA-N 439.497 1.968 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1(F)F 1672353999 VRJGEICZRKHJOP-IRXDYDNUSA-N 434.443 1.889 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1681200182 OHOAXNKTQNXWCP-BIVLZKPYSA-N 436.509 1.554 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1689874796 BNUJOSNLFTUDTB-IAGOWNOFSA-N 433.582 1.494 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1689886888 JNHJTLGKJXHZOA-KSZLIROESA-N 430.553 1.400 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1689924884 XQGZKRMPFAICET-NRFANRHFSA-N 449.559 1.654 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCN(C)C1 1690054661 DBZNQZREVOWNBK-DEOSSOPVSA-N 437.544 1.785 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1690076823 BVCJAUVCOOUGBB-HNNXBMFYSA-N 432.502 1.447 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccsc2)CC1 1690135402 VWSVOIXYDYTJFF-UHFFFAOYSA-N 428.562 1.686 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccc2OC)CC1 1690142569 QPHITNVXNSJGMZ-UHFFFAOYSA-N 447.543 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690144122 MKRWSPNWIKACQN-GOSISDBHSA-N 426.565 1.816 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 1690174571 FGBGCNFUOVDGAI-DLBZAZTESA-N 426.608 1.798 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1690595246 RSDNWGSRUHKQJH-APWZRJJASA-N 425.624 1.796 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690676388 YPJJPCKMOOZUCM-CQSZACIVSA-N 432.912 1.480 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1Cc1ccc(C#N)o1 1692531139 HQIBHHWQHHAHAG-UHFFFAOYSA-N 425.493 1.378 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1693264280 DDZNRLVOMWRMLD-UHFFFAOYSA-N 440.529 1.772 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1COCCO1 1698060350 CTEQMLQDPAIXSR-HXUWFJFHSA-N 437.504 1.913 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705492696 VLJHICOIWMRNHI-JYJNAYRXSA-N 439.582 1.941 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCN(C)C1 1705576787 QBHCZXMJQKFTKB-HXUWFJFHSA-N 446.324 1.986 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1705612489 HQXFWJHMPAYNLS-UHFFFAOYSA-N 445.531 1.454 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1705640217 JJDKXMDUHNDFQY-UHFFFAOYSA-N 449.946 1.820 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705644692 ZHWKRDFXKUXTKC-MOPGFXCFSA-N 444.580 1.443 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCCC2)CC1 1705762513 BDFRBCJJRSAKNX-QGZVFWFLSA-N 438.598 1.837 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCOCC2)CC1 1705763747 CUAJJNWCCCKIBT-JOCHJYFZSA-N 433.553 1.724 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705905234 OPBGFGZCYIMXEX-UHFFFAOYSA-N 436.520 1.816 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1712616040 PTMOEGCIIMLNJM-UHFFFAOYSA-N 440.548 1.781 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1722277420 NIJBNCJIFBWNOD-ZWKOTPCHSA-N 444.605 1.990 30 10 IDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722365680 NLYVETXBKIOPMV-QGZVFWFLSA-N 436.965 1.920 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1722397696 MOBSKIVMBNCYKP-IBGZPJMESA-N 433.516 1.834 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCn1c(O)nc2ccccc21 1722400868 CFKGRJWNJVAGJY-UHFFFAOYSA-N 431.500 1.619 30 10 IDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1722452272 CUCAFRFXRSOIPY-HNNXBMFYSA-N 446.964 1.540 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1722460563 YLRKXVSAULYFGN-QGZVFWFLSA-N 425.624 1.467 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1722527771 ACNFZRUPXHWJTQ-QFBILLFUSA-N 427.571 1.488 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2C)CC1 1722565959 GJWJAFUUBGKZOH-SFHVURJKSA-N 432.550 1.519 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722584187 SBVUGZYZKALZDW-KBPBESRZSA-N 426.543 1.131 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722698999 QHDOCAPMZOIWRZ-OALUTQOASA-N 432.569 1.023 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1729527043 WUYJQSMHAOKOQG-NDEPHWFRSA-N 435.575 1.599 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(=O)NCC(F)(F)F)c1 1740564441 MYJHMZZXKFZNES-UHFFFAOYSA-N 448.449 1.965 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1740621334 LUIXCBZHGPGKIC-WDSOQIARSA-N 446.577 1.366 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)COC)CC1 1740700878 LYSHRXJNCWBYNN-UHFFFAOYSA-N 430.553 1.153 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC)CC1 1740704981 ZVGIZTYUKYMRER-UHFFFAOYSA-N 446.515 1.543 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC 1740733734 KZPMSLXZUWIARC-OAQYLSRUSA-N 426.546 1.822 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1 1740762035 BHXCDFSTPSWTKM-LAUBAEHRSA-N 430.553 1.440 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740992102 ARBXYWKIAOAPLR-MRXNPFEDSA-N 449.552 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1740992754 MVJCRWNLZAIWPV-HNNXBMFYSA-N 437.953 1.435 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1748716194 VYLGSDKZQZOWQB-HRCADAONSA-N 430.596 1.242 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748819790 UFSBSHSAESYIHN-MOPGFXCFSA-N 444.532 1.980 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1 1749671504 CQMXHCVJMCXBJP-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CC2)CC1 1749917365 FUMVJELRAHRHLH-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CC(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750041293 IKBMFEXHPVSQCU-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760136040 BPGQPVMCCWFROF-SFHVURJKSA-N 429.569 1.023 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760136709 BFHKJKQOQJIHHZ-GOSISDBHSA-N 433.578 1.432 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CC)C1 1760173158 LJLAEKPAPDFCNN-QGZVFWFLSA-N 430.578 1.607 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc(Cl)cn2)CC1 1760397334 QUPIZOCJNRYWHK-CYBMUJFWSA-N 427.962 1.841 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](COC)C1 1760515976 UFOKYKBROJNLOU-QGZVFWFLSA-N 437.504 1.489 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760947144 BFGBIEGPDPIYAK-GHTZIAJQSA-N 429.546 1.991 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1767170900 XSFDHPUPBLBYFY-HNNXBMFYSA-N 436.501 1.898 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1770980967 HOFATYKAKWSRPS-SIKLNZKXSA-N 437.504 1.647 30 10 IDEE CSCCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1771458368 ZWASUZVBAQJHDG-HOTGVXAUSA-N 427.596 1.832 30 10 IDEE N#Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 1851121992 GPFMFMKGGFHJTL-UHFFFAOYSA-N 434.905 1.770 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2ccc(C)nc2)c(C)c1 1853441815 GJZGZOZHPPPDGL-UHFFFAOYSA-N 445.589 1.911 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2=O)CC1=O 1853671436 ZTDBKBLRSSEMQE-HNNXBMFYSA-N 425.407 1.791 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2=O)CC1=O 1853822288 KYPPHGBONPARFI-AWEZNQCLSA-N 439.921 1.042 30 10 IDEE COc1c(F)c(F)cc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1F 1854415422 BAOPORXCHRDKRK-UHFFFAOYSA-N 445.419 1.563 30 10 IDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1855650875 WUMLFPHRWBKGDH-LJQANCHMSA-N 429.542 1.519 30 10 IDEE COc1ccc(S(=O)(=O)C2CCN(C[C@@H]3CCC(=O)N(C(=O)CC#N)C3)CC2)cc1 1856360486 JASWJIKFMUCAND-INIZCTEOSA-N 433.530 1.612 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858334475 ICZYKWUTUBLUDL-QGZVFWFLSA-N 433.511 1.502 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN(CCO)CCO 1870647035 NMAOQXUBLVEMGR-UHFFFAOYSA-N 443.500 1.041 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)CC2)CC1 1889325442 WDKOKLQDMBKUOP-NRFANRHFSA-N 444.620 1.426 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CC2)CC1 1890388914 IOJPGPROTDNOGX-UHFFFAOYSA-N 445.507 1.524 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@H](COc3ccc4nnc(C)n4n3)C2)cs1 1890814149 IXGIHELOBWVYII-ZDUSSCGKSA-N 427.490 1.346 30 10 IDEE C=CC1(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 1910219540 GPPIRYRCYPWXFP-LHSJRXKWSA-N 441.525 1.011 30 10 IDEE N#Cc1cc([C@H](O)C(=O)O)cc(I)c1I 2060282369 JLHACJGQFBDYDR-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243386655 FGNOCGLITSSQQT-UHFFFAOYSA-N 440.309 1.802 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2248404475 MMOQBIJCRYGIDU-CQSZACIVSA-N 440.371 1.891 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598193 VIIDEWHRBGFPSN-MNOVXSKESA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255673867 UHKZBCKJNSWECC-KBPBESRZSA-N 429.326 1.976 30 10 IDEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ncc1B1OC(C)(C)C(C)(C)O1 2256627760 CDEVVRSHFPIATL-OCCSQVGLSA-N 436.318 1.297 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 2267112664 JXRVCBLNNNJIDU-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267144219 SRSJHFOWEBODPO-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2267260671 PGTAVYQIQPQJBO-KBPBESRZSA-N 449.361 1.538 30 10 IDEE Cc1c(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 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COCCOC(=O)c1sc2ncn([C@@H](C)C(=O)Nc3c(C#N)cnn3C)c(=O)c2c1C 16893219 PVCIWKOWJAICBT-NSHDSACASA-N 444.473 1.375 30 10 IDEE Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C#N)cc1)O[C@H](C)C(=O)N2 35452731 QAQIWWDDXREODA-CYBMUJFWSA-N 428.470 1.845 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccccc1Cl 72443771 QTGZPMPNWXVWKK-OCCSQVGLSA-N 426.864 1.349 30 10 IDEE CCCN[C@@H](C#N)Cn1cnc(I)c1I 379780368 KUQVKOHDOHTODU-ZETCQYMHSA-N 430.031 1.984 30 10 IDEE COc1cc(OC)c(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 480509956 GABLPYDRPXAUBT-ZDUSSCGKSA-N 433.486 1.567 30 10 IDEE Cn1nc(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c2ccccc2c1=O 481803342 CQSYHAYZKBFMPQ-UHFFFAOYSA-N 444.451 1.944 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C1=O 486015373 IPDXVEYIZWMMNK-FQEVSTJZSA-N 428.448 1.871 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@H]1CCCO1 505698863 CVCONXICRGPURY-QGZVFWFLSA-N 435.505 1.617 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 508469480 FKGQIRWTSLUECL-LJQANCHMSA-N 426.517 1.109 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 508956395 PKZRYPRKNWUERI-ACBHZAAOSA-N 432.569 1.369 30 10 IDEE Cn1c(=O)n(CCS(=O)(=O)c2cccc(C#N)c2)c(=O)c2ccc(C(F)(F)F)nc21 513789310 GCRGHFQVIZKNJQ-UHFFFAOYSA-N 438.387 1.460 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(Cc2ccccc2)c1=O 530315823 NCUAFZYOTZFXBK-SFHVURJKSA-N 448.548 1.673 30 10 IDEE COc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 545509988 LDTILKVWYNAQRV-HXUWFJFHSA-N 434.500 1.595 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 558965576 ROYOOSRTZGLMPY-OAQYLSRUSA-N 443.577 1.921 30 10 IDEE Cn1c(=O)oc2ccc(S(=O)(=O)NC3CCC(Oc4nccnc4C#N)CC3)cc21 585355651 LSVHLEHJRFBVNN-UHFFFAOYSA-N 429.458 1.462 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c(F)c1 586860912 TULLCJOIYWUWGY-UHFFFAOYSA-N 443.910 1.905 30 10 IDEE CCN(CC)CC1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587659451 OHPFTVIBPAQZFM-UHFFFAOYSA-N 426.565 1.619 30 10 IDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)CC1 590138725 KXCUOEWTOUBDQA-UHFFFAOYSA-N 438.893 1.198 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1=O 610598717 DVHITWHCBFRRTJ-YWZLYKJASA-N 432.502 1.214 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nnc3n2CCC3)CC1 610799388 YUCJMZFCPXOIME-CQSZACIVSA-N 428.518 1.169 30 10 IDEE C#CCN(C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCS(=O)(=O)C1 729334069 HVKBZTQLKSGMTF-KBPBESRZSA-N 439.331 1.451 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730142964 QSPNKINZMMZCJR-AWEZNQCLSA-N 425.942 1.085 30 10 IDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)Cn1ncc2ccccc21 730695091 PQYCGVPWGJDQFR-UHFFFAOYSA-N 445.435 1.959 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795672 RWCYLIFDVXURJT-NVXWUHKLSA-N 428.558 1.984 30 10 IDEE 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N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)c1 813983595 CINZZCRMKRKZRO-QFBILLFUSA-N 441.444 1.861 30 10 IDEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 815411925 JKRSZYZSVGKWOS-UHFFFAOYSA-N 445.541 1.635 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[C@H](C#N)c2nc3ccccc3n2C)c1 915100233 NEOIDZMVXSHQCX-INIZCTEOSA-N 441.513 1.642 30 10 IDEE COc1cc(OC)c(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 918105344 BKMLRDWGCRDRSO-UHFFFAOYSA-N 447.513 1.848 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 918841030 PVBFWFMVHLTBCR-HNNXBMFYSA-N 437.518 1.181 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc1 919845625 JIHYBQPEXLZMAA-CYVLTUHYSA-N 430.552 1.156 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1141969221 VMNBOTRUWMYWLF-PMPSAXMXSA-N 429.539 1.378 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nc1 1148306588 BYEDHPQRYXEULH-UHFFFAOYSA-N 440.525 1.994 30 10 IDEE COC(=O)c1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 1150967896 HJXXCRZIAVAPQX-ZDUSSCGKSA-N 445.497 1.615 30 10 IDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCN(CCC#N)CC2)C1=O 1152068248 JZGCLUXWYCASDN-LJQANCHMSA-N 448.321 1.274 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1165508924 YXYGNSWEWWSEFC-VAWYXSNFSA-N 441.528 1.704 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 1177759205 LZMSAYVIGNYWOS-JXFKEZNVSA-N 447.333 1.430 30 10 IDEE C#CCN1CCC(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1213773409 OOEIMZYLRRODIF-WOJBJXKFSA-N 435.546 1.039 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286325399 XWWHVDSHYJURQR-ROUUACIJSA-N 425.537 1.983 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCOC)CC1 1286348968 QPVLTVIWRPJCDJ-UHFFFAOYSA-N 442.520 1.398 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1286427299 BSOODDJFNPRQIA-UHFFFAOYSA-N 433.965 1.925 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CC)CC1 1286478733 FMORJLAYZANLCV-QHCPKHFHSA-N 435.532 1.108 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1286484999 UGILIFOTKRSFDF-UHFFFAOYSA-N 430.516 1.460 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CC1 1286489111 GCBLYORQEDFDEI-UHFFFAOYSA-N 431.544 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(N)=O)cc2)CC1 1286489698 CRADAAJPBNALMV-UHFFFAOYSA-N 445.527 1.397 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NC2CCCCC2)CC1 1286494652 VWDYBILWBPGXRP-GOSISDBHSA-N 442.564 1.197 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1286517978 XJTYLLNRRDOYGD-FOIQADDNSA-N 432.550 1.722 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286606163 IJHPYMZCYWDPSD-HOTGVXAUSA-N 425.555 1.225 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286815020 ZEDFUWIMRWYTSE-MRXNPFEDSA-N 435.554 1.092 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O 1287604987 BCBFPJXYURLKNB-UHFFFAOYSA-N 434.570 1.480 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1288981602 FYPZUHBVJUDTDI-NQIIRXRSSA-N 443.577 1.675 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)C2=O)cc1 1296292105 BRNMQOBATKOBEF-ZNMIVQPWSA-N 429.420 1.393 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1298969399 JPSFPRLSIAUKCS-IQMFZBJNSA-N 435.532 1.646 30 10 IDEE CO[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1299567139 BQEQHNSTMPEUGR-SJORKVTESA-N 433.520 1.676 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1300666005 RNTKGMOURXAUNU-MRXNPFEDSA-N 442.911 1.254 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@H]2C)CC1 1300689425 VJPPQZVBPOUIFK-VQIMIIECSA-N 428.562 1.532 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)nc2)CC1 1300710546 FUWVOTWVTPBRRQ-ICSRJNTNSA-N 426.521 1.209 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1300891350 KHPLWYQSYHGTGX-GHTZIAJQSA-N 444.580 1.686 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccncc2)CC1 1301123352 BQNPFYOUAFUPPU-IBGZPJMESA-N 446.577 1.651 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1301967678 FPPAZLNRMYAQBB-PXNSSMCTSA-N 442.589 1.834 30 10 IDEE C=C(C)CONC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1312950614 XHXVIRKVLCJUSB-UHFFFAOYSA-N 427.523 1.911 30 10 IDEE CN(C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1314671776 VXRMVULYEOCEHM-UHFFFAOYSA-N 426.525 1.634 30 10 IDEE Cn1ncc(CCCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)n1 1314932421 AUKBSYSOXSFIIC-GOSISDBHSA-N 426.456 1.486 30 10 IDEE COCC1=CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1315866809 AHOWBKLSCLLCRG-QURGRASLSA-N 449.515 1.573 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358965646 YTGMADQVJCATMC-INIZCTEOSA-N 435.575 1.035 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358968122 ZTBLMMCWTITSMM-UHFFFAOYSA-N 439.541 1.180 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1359024472 NXSCPZIZZSGHMZ-HNNXBMFYSA-N 437.591 1.528 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC(C)C)CC1 1359029174 QQCWQTIZVJTIAP-UHFFFAOYSA-N 425.537 1.743 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2([S@](C)=O)CC2)CC1 1359047121 RSRQVJCHVVHFCT-PMERELPUSA-N 431.606 1.888 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCC(=O)NC 1359089093 BHVRYXHMTWEDJH-MAUKXSAKSA-N 427.509 1.479 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359303013 BBYHVDGGLADOKM-IBGZPJMESA-N 437.548 1.312 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 1441303134 BAOBKBDNAKVAHR-QGZVFWFLSA-N 427.567 1.425 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1454712732 MRSZMKCZOFNJEQ-HUUCEWRRSA-N 446.957 1.618 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2=O)cc1Cl 1455077141 WEJYTZKXPUUVNY-GFCCVEGCSA-N 427.848 1.449 30 10 IDEE C[C@H](CC(=O)N[C@@H](Cc1ccccc1)c1ncon1)/N=C1/NS(=O)(=O)c2ccccc21 1469603577 TZIPEFBCBURJLL-PBHICJAKSA-N 439.497 1.987 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CCOCC1 1470863286 BDSRKUCSYAPIRT-NRFANRHFSA-N 431.558 1.620 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)cs1 1492681583 BBQUCSWAIXLGIJ-OAHLLOKOSA-N 427.490 1.386 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1501162524 PCMZJTFROBYLMA-UHFFFAOYSA-N 433.520 1.783 30 10 IDEE CN(C)S(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1503406407 DVALGFUXUDEJPR-FQEVSTJZSA-N 434.541 1.787 30 10 IDEE COCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504551728 IAPIRDAZKCVOQI-DLBZAZTESA-N 440.552 1.831 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(OC)ccc1OC 1505081108 CQPNKCOEHQGNIW-QSFXBCCZSA-N 443.504 1.796 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1507533222 LPWFORIWQKHCRO-HNNXBMFYSA-N 433.516 1.659 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1507637734 MMFAAUWOIHQWSU-JKSUJKDBSA-N 435.575 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCOCC1 1507677274 XOXWASWVZGYBGW-PMACEKPBSA-N 429.565 1.576 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1507710577 IEYWBXUIWNAPMC-QZTJIDSGSA-N 444.557 1.833 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)n1 1507714519 QBFFECPEWZKLKW-VGSWGCGISA-N 430.553 1.598 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 1507717003 XPJHXWKEBRSGQX-WJOKGBTCSA-N 443.577 1.228 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cccn(CC)c2=O)CC1 1507728222 WEKVJXQPLLUSTE-UHFFFAOYSA-N 446.555 1.885 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507774777 BXBOTBXXIAZBOZ-HNNXBMFYSA-N 443.390 1.872 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1507820574 HPIIRRNZNBOSKE-SFHVURJKSA-N 435.550 1.767 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507884382 HOMKRTDLTWXJSX-OALUTQOASA-N 436.626 1.363 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCC(C)C)CC1 1508072840 SKJBVIHQLNHPJC-UHFFFAOYSA-N 432.569 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccnn2C)CC1 1508139419 GIOKOYUNBDKZOQ-UHFFFAOYSA-N 444.565 1.397 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1508632005 SMWMQEDKYARNLR-ZDUSSCGKSA-N 429.481 1.039 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1510253201 DEFAWBWWCNIJLX-LPHOPBHVSA-N 432.500 1.864 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)COC)CCN2C1=O 1515753378 ATTQRDGOMNQRJE-CRAIPNDOSA-N 437.504 1.572 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1519778555 DRIMSPCABIFRRC-UHFFFAOYSA-N 433.940 1.670 30 10 IDEE C=CC[C@]1(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1519798641 FWLOYQCWUIYTEC-VTJXTGGHSA-N 425.526 1.905 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C)(C)Oc3cc(Br)ccc32)C1=O 1533826947 HUCNEAKYOWJRIB-UHFFFAOYSA-N 436.262 1.930 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OC 1535347088 NSOMGVLEKHAXQD-HOCLYGCPSA-N 436.486 1.248 30 10 IDEE N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(I)c1 1538266635 UEIAJNWWGNLASJ-DPDCMNJDSA-N 447.232 1.908 30 10 IDEE CN(CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1538862929 WLQSZNPPECELMO-LJQANCHMSA-N 444.469 1.687 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539229353 BVVAZFURPMABMG-GOSISDBHSA-N 441.557 1.679 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1539230248 FJSCUDQYJAINRX-OAHLLOKOSA-N 438.500 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCCC2=O)cc1 1539230802 KKAUGMHZWIMJOJ-UHFFFAOYSA-N 432.528 1.660 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2nncn2CC)CC1 1539476307 VCPIPRWETWFVDZ-UHFFFAOYSA-N 432.532 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCN(C)C2)CC1 1539484356 MEUNGMVITULGNJ-QHCPKHFHSA-N 428.581 1.043 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540868779 RJUXSUQZUVJZQU-UHFFFAOYSA-N 436.476 1.810 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(CCC)C(=O)C1 1540872701 XYTAESWKJIOIJD-UHFFFAOYSA-N 428.512 1.759 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540875294 HGXNQQAKOZJYRM-NRFANRHFSA-N 446.939 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540900345 SFCFUKCUZHGRQW-HNNXBMFYSA-N 433.534 1.221 30 10 IDEE CCC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1546921347 MWFKNOCTNQPISP-RNQOJCNYSA-N 432.569 1.994 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1547744472 USONFQLXQRNWJN-UHFFFAOYSA-N 446.577 1.850 30 10 IDEE CCNC(=O)C1(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)CCC1 1547755965 GWCLOBWCDLUXSM-GOSISDBHSA-N 438.532 1.913 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1554385759 IIORLSGGSDIVTF-APWZRJJASA-N 426.521 1.831 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1555385299 DVFQDONBLUGYIM-IBGZPJMESA-N 445.545 1.493 30 10 IDEE N#CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N2CCOCC2)CC1 1555989953 BFCSJLCKOHHYJF-UHFFFAOYSA-N 448.325 1.634 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(-c2nccn2C)[nH]n1 1557215555 VWKPOYMYCMUFPM-OAHLLOKOSA-N 441.517 1.902 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)CCOC1 1557560250 QXVFZSLAYJWZIF-QHCPKHFHSA-N 439.468 1.820 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1558421812 MAFANZIJJRSKEA-FOIQADDNSA-N 428.551 1.198 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CCN2C1=O 1566237564 GTHSNFNHSQSNFV-MRXNPFEDSA-N 446.305 1.252 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N[C@H]3CCCN(O)C3=O)ccc2NC1=O 1569675597 BFYGTBFWFJZDCB-HOTGVXAUSA-N 432.477 1.575 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1588045030 FTPAOYPRJMBQDM-QZTJIDSGSA-N 432.546 1.542 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCCC 1588124415 KYPUQVUHHQIUQX-UHFFFAOYSA-N 441.561 1.227 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C)n(C)c1=O 1588167105 WLHXMZLISYGCRC-UHFFFAOYSA-N 431.496 1.994 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CC1 1588199449 PEQDLQJWRDDNRX-UHFFFAOYSA-N 447.538 1.412 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1588646770 MYKNDRRRCNKKQE-LJQANCHMSA-N 447.561 1.054 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588733503 VUPXLOUSWIYHHE-HKUYNNGSSA-N 432.569 1.003 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCNS(=O)(=O)CC 1589233470 JKPJEDRLUCHYTR-HXUWFJFHSA-N 433.582 1.461 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1595093243 CSBMJBMYYGFFKC-LJQANCHMSA-N 449.515 1.152 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](COC)O[C@H](C)C1 1595555506 APZJOPDTRRDISL-CABCVRRESA-N 435.475 1.689 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595577181 KWNOUVWEKWFLGF-DLBZAZTESA-N 427.461 1.582 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 1595714246 MNRSNSWHNDQGTN-AZUAARDMSA-N 428.585 1.486 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)C1 1611766858 CTTXLXBHZIAJQU-KBXCAEBGSA-N 437.957 1.860 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@H]1N1CCOCC1 1612917518 MISCPMKBNNJXAW-WIYYLYMNSA-N 440.548 1.373 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1614308712 PRQXFRBEZFMOMG-MRXNPFEDSA-N 439.520 1.799 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1616884047 DYDUOPSAPWRHDG-UHFFFAOYSA-N 444.351 1.972 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1619322019 FDYHFHHPJFLEQW-KRWDZBQOSA-N 447.517 1.172 30 10 IDEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1620035435 CUQZLRLUDRZLLP-LJQANCHMSA-N 433.488 1.333 30 10 IDEE CSC1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCN(C)CC1 1620216596 FDBIYOHKJKWKPE-IBGZPJMESA-N 435.573 1.783 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)C(=O)NCC2CCCC2)s1 1623360928 BYBQDRFNAJKOPX-UHFFFAOYSA-N 427.592 1.956 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2)C1 1626149713 CRNHDJLABLNXRO-HEOKHYPTSA-N 442.520 1.887 30 10 IDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)c2ccc(Cl)c(C#N)c2)C1=O 1630204412 NJLNEXJBPIGQFH-UHFFFAOYSA-N 425.832 1.957 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1630585346 MIVIZLOKTCRDDI-FUHWJXTLSA-N 436.383 1.742 30 10 IDEE C#Cc1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)cc1 1636949961 HTJQUMDXBANQCZ-IBGZPJMESA-N 428.510 1.526 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1639610801 UZDNBEVSILDSEB-QHCPKHFHSA-N 449.548 1.792 30 10 IDEE C[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(I)cc1 1641970226 COIWSFNQHRXNIY-SNVBAGLBSA-N 438.225 1.345 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)NC(C)(C)Cc3ccc(C#N)cc3)c(CCO)c2=O)n1 1645040805 STBRLIOGVGYCMC-UHFFFAOYSA-N 434.500 1.730 30 10 IDEE COC(=O)[C@H]1CN(C(=O)c2nc(O)c(C#N)cc2C)CC12CN(C(=O)OC(C)(C)C)C2 1645414217 SXOBZSXPWARCHQ-CQSZACIVSA-N 430.461 1.449 30 10 IDEE N#CCC1(CS(=O)(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CC1 1654044133 GMRXCJJAFJRTEP-UHFFFAOYSA-N 448.570 1.955 30 10 IDEE C#CCOc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 1666320826 PQJVRLIFKFCTTK-UHFFFAOYSA-N 442.541 1.956 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 1676350227 FDGAAWNIVLNJSE-KBXCAEBGSA-N 425.532 1.805 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ncnn1-c1ccccc1 1690025581 WQWQSISDDOHZBE-UHFFFAOYSA-N 425.500 1.842 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1690077572 ROMIOLJBVIENDV-MRXNPFEDSA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1690113128 ACJOZWGHMSVGRQ-DEOSSOPVSA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCCN2CCC[C@H]2CO)CC1 1690115810 UZQOCSKHYPOYHS-FQEVSTJZSA-N 426.565 1.839 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1690484831 FJNMPODJDGGGSU-SFHVURJKSA-N 440.614 1.498 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1690570169 YHOCCCLZUPCUSI-KRWDZBQOSA-N 435.525 1.996 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1690659038 IFBGWXPLOLZYAC-GOSISDBHSA-N 442.520 1.305 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 1690705848 FCNQNJHMYFYCHD-LJQANCHMSA-N 429.496 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1690720572 MNQUIPXUOPEWIN-OAHLLOKOSA-N 433.534 1.221 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1691001999 SWXPHLOPGUVECP-ZIAGYGMSSA-N 449.537 1.026 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1691006781 PPQIFDVRIZOWFC-ZDUSSCGKSA-N 428.447 1.954 30 10 IDEE CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)CC1 1691221951 XRHDKJWQNQSGGF-INIZCTEOSA-N 432.525 1.646 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1692661681 FLUJMLVTCHUXBX-ZIAGYGMSSA-N 436.504 1.803 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCC2)CC1 1692848415 RMGUDZYDHUCPBN-INIZCTEOSA-N 436.582 1.931 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)n1 1693199944 GLDXVZLJTYWLSS-MOPGFXCFSA-N 425.537 1.734 30 10 IDEE CCc1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694704698 KTJWEIPSDZTWRD-FVGNFYTDSA-N 444.536 1.389 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOC[C@@H]2C)CCOC1 1696046153 GWFVBRUUNYAVIE-PGRDOPGGSA-N 432.569 1.781 30 10 IDEE COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCCC1 1697233491 HNWSNFKHZANVSO-CVEARBPZSA-N 440.570 1.166 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC[C@H]1C 1697676006 BZHVSWMGRSXMLJ-APWZRJJASA-N 438.532 1.960 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1697706050 JMSDAWKYMLQCMQ-KRWDZBQOSA-N 446.458 1.536 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NC1CCCCC1 1705575031 WDTSKLVMUCTDMC-QHCPKHFHSA-N 427.549 1.840 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCCO[C@H](C)C2)CC1 1705639156 HPXWNIQIMAUTEI-RTWAWAEBSA-N 430.597 1.776 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@H]2OC)C1 1705928717 HGDKQZVNQNCCLV-XUVXKRRUSA-N 430.553 1.973 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1706075398 NEQJKZZLBPXSPJ-VGSWGCGISA-N 440.552 1.853 30 10 IDEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)N1CCCC1 1708770511 AMJMWBONYDQTLQ-SQGPQFPESA-N 437.614 1.893 30 10 IDEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1=O 1709792170 QCAZPHVPYYUOMM-HSZRJFAPSA-N 435.532 1.744 30 10 IDEE CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1710280428 ILSBRUUSXAZDHI-HWEPQYAMSA-N 443.552 1.577 30 10 IDEE C#CCCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722339870 ZXNJOBFZGGGMAM-JOCHJYFZSA-N 430.553 1.728 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COCCO1 1722417346 DPHPUZKKAMRBTQ-LJQANCHMSA-N 427.480 1.708 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCC=CO2)CC1 1722443358 HSBUASQGQGPEMC-AUSIDOKSSA-N 443.548 1.589 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CCOCC2)CC1 1722444924 JDFKFRKEKVKHAU-UHFFFAOYSA-N 437.544 1.761 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)c(F)c2)CC1 1722445785 CPPKQVPPCHGTIJ-UHFFFAOYSA-N 439.470 1.971 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@H]1CC 1722500418 QSWLBCAYTLLMHH-OYSTVDSJSA-N 433.553 1.698 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1722518133 UXWHYRVPRQICGD-ZWKOTPCHSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722702944 ROVVDOWVXUDIGX-UVELEOGVSA-N 447.580 1.883 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1724420419 CHCSLZXKOIUNRF-QFIPXVFZSA-N 442.495 1.856 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1729484332 UKAGKGKJDBFWFL-QGZVFWFLSA-N 433.534 1.351 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)C2)cn1 1729574681 SEQXYVZPSWYHCN-KRWDZBQOSA-N 440.533 1.093 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)CC#N 1729740950 DPLFNBPDUCQTLW-GFCCVEGCSA-N 441.355 1.995 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1729777439 CLHUVYHVDFVCRK-KRWDZBQOSA-N 440.504 1.596 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1)OC 1730466543 CPYBRQOJUPUYTE-IBGZPJMESA-N 426.521 1.960 30 10 IDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1730683342 OONRPNPBFBFEMP-GOSISDBHSA-N 432.550 1.713 30 10 IDEE COCCOC1(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1730881604 ULRRNKNRKHITDG-QGZVFWFLSA-N 428.493 1.281 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1740562469 KEHNYHIICMQFCP-MWTRTKDXSA-N 449.515 1.275 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1740596345 BTPWGBLMUUZNDA-JOCHJYFZSA-N 432.569 1.974 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740628621 RZBJNQZGWWETLM-QINHECLXSA-N 434.518 1.257 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@@H]1COCCO1 1740631081 PMTKVUBLZFJDIF-GOSISDBHSA-N 440.500 1.849 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1740653480 NUXAKRUQTJITIV-NRFANRHFSA-N 427.512 1.985 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1 1740680132 RYVQNXZXYPFAKS-AWEZNQCLSA-N 425.942 1.676 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1740689593 YLBAQQKHYMYYAN-KRWDZBQOSA-N 446.577 1.463 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1740751161 YGIYOSVASDDVIK-WBVHZDCISA-N 439.582 1.411 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)nc2OC)C1 1740971510 XVKZGGYYFIGABC-QGZVFWFLSA-N 442.520 1.756 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1748790270 HUVFLOKJCXLIQN-IRXDYDNUSA-N 431.537 1.915 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749048071 HZKJIFGWPAHBJQ-LJQANCHMSA-N 448.637 1.704 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC1 1749342996 UWDAEPRSTXPEEO-GOSISDBHSA-N 439.582 1.440 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749707386 VZXVGDJTQJNXSE-QGZVFWFLSA-N 434.566 1.817 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(OC)c1 1750006926 JKMPTQVQZMBUCL-NVXWUHKLSA-N 431.493 1.796 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnnn2C)cc1Br 1751495916 LVSMVDAMHHHNMO-HNNXBMFYSA-N 443.309 1.922 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC[C@H](C(F)F)N2CCOCC2)c1 1760125194 GFVMBWCBYBCWDD-LJQANCHMSA-N 446.502 1.999 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOCC)CC1 1760152633 SLWZEKDNEXDHMY-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1760191999 CLDDCZKGCCUNKM-QLFBSQMISA-N 430.477 1.181 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1760248594 NVMHVAFUEXGNFZ-HOTGVXAUSA-N 434.541 1.476 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1760261443 LTLWBWASKASBMC-HXUWFJFHSA-N 437.592 1.900 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760514879 NQHLHWJETFXWIK-UHFFFAOYSA-N 428.493 1.126 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1760854259 HXSZNYGZWURTQD-UHFFFAOYSA-N 439.520 1.060 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)COCC2 1761483227 UXVUOBNZIONCJN-VBKZILBWSA-N 448.524 1.451 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CC(F)(F)F 1763113079 FIWOXIVGLIWGRT-DOMZBBRYSA-N 437.426 1.815 30 10 IDEE CCOC(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1765710064 BAWWDRNEXSXTCQ-HNENSFHCSA-N 443.508 1.036 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CCO1 1767713306 QSLJIZSSKMEMCG-CVEARBPZSA-N 432.431 1.192 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cn2ccc(C)cc2n1 1770050213 JEZOJSNSYHLVIM-FUHWJXTLSA-N 425.493 1.735 30 10 IDEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1770160497 YKEMFUPIQRRMIV-UHFFFAOYSA-N 439.524 1.176 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C[C@@H]1S(C)(=O)=O 1772794037 YGTNEMVNUALDJO-DJJJIMSYSA-N 438.458 1.069 30 10 IDEE CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCO[C@H](C#N)C1 1851144203 AHHGPRCCKKTOEW-QGZVFWFLSA-N 429.498 1.928 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2=O)CC1=O 1853824304 BXNVELUILHQCPK-AWEZNQCLSA-N 439.921 1.042 30 10 IDEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1=O 1856098574 LCAVZXHOMIADLY-GOSISDBHSA-N 426.498 1.187 30 10 IDEE C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857043784 XPQRADWUEJACPE-HOCLYGCPSA-N 437.493 1.533 30 10 IDEE COc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1C 1858318006 ZIXMCYDXMDPAHS-MRXNPFEDSA-N 435.527 1.617 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCCCC)cc1 1865722713 YIGCJSJAOHOPQW-MRXNPFEDSA-N 440.500 1.260 30 10 IDEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155642 XQTHWKKWECMCKW-UHFFFAOYSA-N 445.395 1.899 30 10 IDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2CCN(CC)CC2)n1 1871657252 NIQUTNRWTODRII-UHFFFAOYSA-N 437.596 1.529 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCC(C(N)=O)CC1)n2CCOC 1873558656 WHUDXLQRBCHKKF-UHFFFAOYSA-N 426.521 1.594 30 10 IDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NCCCN3CCOCC3)ncnc21 1875230113 PIUKDTFJISSDEV-UHFFFAOYSA-N 427.553 1.139 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCN(C)C)ncnc21 1875230776 NLBYXTXUUVQAND-UHFFFAOYSA-N 429.525 1.505 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2025610374 KBJUSUZBMZQGHB-ZWKOTPCHSA-N 429.521 1.382 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085659276 KJBQPRQUCFJUDG-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247907964 LJPZUCKMUVCNOP-OLZOCXBDSA-N 439.343 1.464 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248397549 MGAGITXYMLACRE-CYBMUJFWSA-N 435.355 1.975 30 10 IDEE C[C@@H](CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255610480 YZRHKYZGMKVBQB-INIZCTEOSA-N 427.358 1.755 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255624623 ZMRVAJDLZASXCI-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255695130 BPNCDGBNAVMVPH-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2255699776 SBBBSWGMKXFLBN-CHWSQXEVSA-N 435.334 1.242 30 10 IDEE Cn1nc(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255842086 MRDNKCPZYMBMNY-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2257490322 AKYMCYVWOQHGLU-UHFFFAOYSA-N 427.232 1.440 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267172476 BCNMVZXHHKSWKJ-GDBMZVCRSA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2267291686 UDZDAEWKEMCPTD-UHFFFAOYSA-N 449.357 1.861 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267564183 SBJUOSFPMSOTLO-PBHICJAKSA-N 449.357 1.662 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267607836 BOIPSVLHVIYZOP-YPMHNXCESA-N 442.247 1.447 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)C(C)(C)C)NC(=O)OCc1ccccc1 2270527508 POHWMOULUQLADZ-INIZCTEOSA-N 425.507 1.798 30 10 IDEE C=CCOC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270538599 DQVPNNQSTJYTCX-KRWDZBQOSA-N 426.491 1.363 30 10 IDEE Cn1ncc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2270593236 XRLHVJDPQCXVGN-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccco1 2296136226 VYWUMZDDXLOMOV-GOSISDBHSA-N 427.413 1.942 30 10 IDEE C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OCC)ccc21 13791886 WVXKGXLBIKMBNG-ANNUQZOISA-N 449.554 1.612 30 10 IDEE CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(CCC#N)CC3)cc2)CC1 20059726 VYOWJJBMNSVZBW-UHFFFAOYSA-N 440.591 1.327 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc1OC 20292818 ZAQKIPGBPTWURR-ZVBGSRNCSA-N 431.478 1.457 30 10 IDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 409586240 QAPKWBQUVXKBOK-OAHLLOKOSA-N 428.942 1.589 30 10 IDEE CS[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1N1CCCC1 483388991 APYDGMFSIAUCOS-GBESFXJTSA-N 441.557 1.801 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 505648571 PNEGWCGEIFUYHW-UHFFFAOYSA-N 445.545 1.319 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 508828601 PYGMRFKIHAOMPS-GOSISDBHSA-N 437.504 1.523 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)o1 526013491 RQELAYPELQQWSE-UHFFFAOYSA-N 428.468 1.758 30 10 IDEE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)s1 536700013 OBMXGBRURMPTIO-UHFFFAOYSA-N 426.608 1.967 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 549485847 GPWRZNCNPJBGHT-HZPDHXFCSA-N 435.488 1.583 30 10 IDEE C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1ccnc1 561701993 FWBPZWYTESNKDD-NSISKUIASA-N 434.500 1.476 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1C[C@@H]1CCCO1 589759649 WVTMNRJWGIOGDU-AWEZNQCLSA-N 425.535 1.553 30 10 IDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl 615307015 HFGZIBIYLKNOEW-SFHVURJKSA-N 436.859 1.806 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccccc2)C1 619819047 BSJCVEQHSYLXQA-VQIMIIECSA-N 434.497 1.101 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669818429 HPXQZKGLNFNRJS-ROUUACIJSA-N 449.581 1.452 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(Cc2ccccc2)c1=O 684533950 HIXUIHMXPRAURT-QGZVFWFLSA-N 434.521 1.190 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 732157080 VEZOJTNMFOTKRY-BLRPHQBRSA-N 428.464 1.249 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 735851612 BGJFGXNJJPUKKO-BZSIDJSBSA-N 427.379 1.478 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCN1CCN(c2ccccc2Cl)CC1 746163565 CATUCVUTAPCJFQ-DQRAZIAOSA-N 445.951 1.885 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br 747265799 FMLWQVOUOBHTPL-LBPRGKRZSA-N 430.324 1.827 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 753369313 DUWBMAXLQLBOLS-JOCHJYFZSA-N 437.585 1.653 30 10 IDEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c(=O)[nH]c21 757147145 CPCNJGSOMBEBND-XVWMLYKFSA-N 432.488 1.718 30 10 IDEE O=C(NCC#CC(=O)N1CCC[C@@](O)(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757485643 MPVNHGUDWBVYGN-VWLOTQADSA-N 448.475 1.967 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NC2CCCC2)C1=O 771578861 RDOZCXNMNRPSPJ-OYHNWAKOSA-N 426.473 1.538 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 774016451 ZAJJUTZMMWGGJH-INIZCTEOSA-N 427.548 1.371 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CCS(=O)(=O)C1 774201550 RASIPKJRFBVCFT-RDJZCZTQSA-N 440.363 1.860 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(N2CCOCC2)n1 775920779 YYUUJDREYSSIIE-UHFFFAOYSA-N 443.529 1.053 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1cccc(F)c1C#N 781593409 ARTYNADYGFWXOG-QGZVFWFLSA-N 449.460 1.834 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCC#N)C1=O 784124398 JTPRDWKGRHHNBC-INIZCTEOSA-N 430.534 1.089 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCN1CCN(S(=O)(=O)C2CC2)CC1 797259968 AWXPDDJFGZCARB-UHFFFAOYSA-N 432.502 1.517 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)C1=O 798545985 LPCYFVFMGKEHKT-AOMKIAJQSA-N 428.489 1.016 30 10 IDEE C[C@H](CC(=O)NC/C=C\CNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 807231192 MQTICCHUDYGIGK-WBTMPAOCSA-N 436.534 1.701 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)c1ccnc(C(F)(F)F)c1 808499128 KSSQTJRGYNEHDG-UHFFFAOYSA-N 427.360 1.676 30 10 IDEE C#CC[C@]1(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809802672 DUFCSBWNMNOUEZ-TWOQFEAHSA-N 427.567 1.614 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 810360847 DBLGPOPYWYOMRW-MRXNPFEDSA-N 436.534 1.600 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1136862133 YPXZMFVOTAEXMQ-UHFFFAOYSA-N 431.558 1.457 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1141055787 JFZIFCNQDZWGHF-KRWDZBQOSA-N 439.553 1.981 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)[C@H](C#N)C1 1149176035 FZRNORZVNZANFF-SJORKVTESA-N 432.477 1.245 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1158688724 YFCOBMBMOIRRJZ-FQEVSTJZSA-N 444.557 1.921 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C[C@H](O)COc3ccccc3C#N)C2)CC1 1170093736 DZPLGKAVQLGUKY-PMACEKPBSA-N 430.549 1.925 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1179653399 YLFBHENZTZQVPN-OXJNMPFZSA-N 445.522 1.498 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CC1 1195034245 RMKOXHXEBLBPRA-UHFFFAOYSA-N 438.365 1.944 30 10 IDEE C#CCN(C(=O)Nc1[nH]nnc1C(=O)N1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1219065300 YDJUDOZZFSJJGV-UHFFFAOYSA-N 445.524 1.907 30 10 IDEE C#CCSCCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1228392821 LLSCRJNIRVMWCU-OAHLLOKOSA-N 425.551 1.985 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1234635894 DCVUYFVASQUGNX-SQNIBIBYSA-N 434.537 1.421 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@H]2CC(=O)N(CC3CC3)C2)nn(-c2ccc(F)cc2)c1N 1254656980 VZUXJOYOQOFJLX-INIZCTEOSA-N 439.495 1.708 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCSC1 1286400441 GDCAGKMZVNZAHY-SFHVURJKSA-N 434.363 1.987 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)NCC=C)CC1 1286474739 POYVSAWURPARHQ-UHFFFAOYSA-N 438.532 1.410 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286504249 PGRMEKNFQGPLSB-IBGZPJMESA-N 428.610 1.261 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1286969002 NUECVHBTVCCKCI-ZQIUZPCESA-N 439.476 1.375 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CCO2)cc1 1289349746 QZZCIGXRSOFZQM-OAQYLSRUSA-N 430.464 1.530 30 10 IDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1289568592 WPOMLNUNQDTVPK-AEFFLSMTSA-N 433.530 1.807 30 10 IDEE C[C@@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1291136974 HYZATGHIEZLIKN-APWZRJJASA-N 428.562 1.924 30 10 IDEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1296086992 DPAJDCQQGZVPOO-PMACEKPBSA-N 437.548 1.642 30 10 IDEE C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1297030545 WIKMZQAFDTXSOI-FZMZJTMJSA-N 438.424 1.233 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 1297515820 BDFIWMIMRQHDIR-UHFFFAOYSA-N 446.554 1.056 30 10 IDEE CCOC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 1299448285 PWKWCFPGRWVRGU-KSSFIOAISA-N 430.486 1.431 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1300303253 HXGXLRCGPXEXNT-CQSZACIVSA-N 433.534 1.821 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1300357255 KTOXODZFEHNMRR-XMMPIXPASA-N 447.543 1.958 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1300577839 COGSPLITOAGJAA-LJQANCHMSA-N 428.562 1.628 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1CCNS(C)(=O)=O 1300649254 SYHTYPPMOCFIKA-UHFFFAOYSA-N 442.520 1.977 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1300672947 BVPNLTBNTYEVSW-KRWDZBQOSA-N 432.546 1.398 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300761732 FAOYMLBYPDKOOL-GOSISDBHSA-N 427.578 1.882 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1300801266 LMHUNRJCTGVODQ-GOSISDBHSA-N 438.410 1.676 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C(=O)OC)CC[C@@H]3C(=O)OC)n[nH]2)c1C 1300922834 NCMJZIJCSFHPGE-WMLDXEAASA-N 429.477 1.643 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1300939247 ITEIYNJECPJOMJ-LBPRGKRZSA-N 449.460 1.833 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300982573 LLFNVOOYGJDNKF-UHFFFAOYSA-N 441.536 1.106 30 10 IDEE C=C(C)COCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301001891 PFCNMGQQAQASSS-JOCHJYFZSA-N 433.553 1.722 30 10 IDEE COCc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)ccc1F 1301156155 BSVVCOLJFBSTNP-QGZVFWFLSA-N 428.468 1.463 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOCC)CC1 1301492441 IPVRPWORSZAQPD-UHFFFAOYSA-N 433.944 1.454 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CCOCC2)CC1 1301506628 NELSTLONXLFCQE-UHFFFAOYSA-N 438.576 1.781 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1312481931 RNKBPNOKPJZRAU-INIZCTEOSA-N 430.534 1.430 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 1323361177 AMNAKELXKXNQIU-VRTBNJGNSA-N 429.521 1.337 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1358871642 IMJSERRDCLRUBQ-CVEARBPZSA-N 444.561 1.521 30 10 IDEE C#CCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1358935812 UIFDEOQNCJUAPF-JOCHJYFZSA-N 444.536 1.253 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1358963869 PGBQHTMKMAQGGQ-LJQANCHMSA-N 442.589 1.901 30 10 IDEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359026275 QOPCJRUQGRVCJX-MOPGFXCFSA-N 435.594 1.521 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC2CC2)CC1 1359030890 JLHGUQMEJCEBLL-UHFFFAOYSA-N 444.486 1.828 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1359070422 MGWXOPIMEZDOMH-YLJYHZDGSA-N 448.549 1.256 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359291194 HVGFIRQQUNSGIZ-JOCHJYFZSA-N 439.520 1.151 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)CC1 1359296854 WTNNSUVSUQFTDG-UHFFFAOYSA-N 435.532 1.564 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1359299831 OAJXUDPAJHVGSL-UXHICEINSA-N 447.543 1.862 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359302887 WWLKYJXWRNOCBA-HXUWFJFHSA-N 449.563 1.691 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1359310512 YFORIFWQOLYMHI-HXUWFJFHSA-N 436.516 1.848 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1359336045 CJMDMCWYGDGMSJ-UHFFFAOYSA-N 427.596 1.447 30 10 IDEE COC[C@@]1(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CN(C(=O)OC(C)(C)C)CCO1 1447471008 FBQMIJWRCSKYOR-JOCHJYFZSA-N 431.489 1.800 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1453540359 KNBXVNUSZBPXLV-SJORKVTESA-N 436.505 1.590 30 10 IDEE C=CCC1(O)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1455681957 MEBNWSLMMMJOKM-SFHVURJKSA-N 436.574 1.667 30 10 IDEE CCc1ccc(NC(=O)c2nnc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)s2)cc1 1460837640 UMJFMQAGNHXATQ-LIRRHRJNSA-N 431.543 1.723 30 10 IDEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C1CCN(C)CC1 1462998789 PVBGPCWCVDLPGQ-UHFFFAOYSA-N 445.589 1.312 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 1471450690 HAYDSPZUFRPBHK-SFHVURJKSA-N 433.578 1.105 30 10 IDEE CCCCN(O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1472620949 ZQAYLUVHBDFOFT-UHFFFAOYSA-N 427.523 1.326 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1OC 1474859174 VFGVONOTWNOJIB-JTQLQIEISA-N 440.312 1.408 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 1492753823 JHRJTSZGANIBPS-WBVHZDCISA-N 444.540 1.782 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1494727592 BMMDYILOVFEAPR-OAHLLOKOSA-N 425.493 1.408 30 10 IDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)OC 1497234134 FUSYCJVXAFOLML-SFHVURJKSA-N 432.550 1.760 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)O1 1497495702 BOLAWULVNNCJLP-OHDICMOHSA-N 425.530 1.970 30 10 IDEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC 1500112125 GWGKLMWNXRBXCL-PMACEKPBSA-N 426.521 1.973 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1503416294 SEMLNJHORUZUJE-DLBZAZTESA-N 442.545 1.355 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1503622566 UGEKVHASDYAXMC-OAHLLOKOSA-N 440.476 1.226 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1503827417 AQIWEDIUAHOXKV-KRWDZBQOSA-N 441.561 1.943 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)(F)F)CCO1 1505321786 FESCCRKOSIWTLS-LLVKDONJSA-N 444.364 1.554 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1507617721 YZSDAIGZALFQAI-CQSZACIVSA-N 440.472 1.908 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507631769 TTYNMNCIPPNXML-NJAFHUGGSA-N 434.566 1.366 30 10 IDEE C#CCSCCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1507758913 VOQLCCAKLMVBNE-NRFANRHFSA-N 435.594 1.649 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CC1 1513399421 XITNPJUEENZWPW-UHFFFAOYSA-N 438.536 1.315 30 10 IDEE CN(CC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517079919 CPNKLDMMLWZLAX-VLGSPTGOSA-N 429.525 1.523 30 10 IDEE COCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1519402482 SHEYBQXCEWQLEL-NRFANRHFSA-N 441.467 1.297 30 10 IDEE C[C@@H](CC#N)C(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c1 1528438279 ZTSOJZQGUOGCMM-VIFPVBQESA-N 438.325 1.663 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1529838317 NINARXWGFTXAGT-HUUCEWRRSA-N 437.518 1.925 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539203983 XDBPYSWSNYALJV-CVEARBPZSA-N 433.582 1.813 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539206287 NYLYTKVTRNPFKM-MRXNPFEDSA-N 431.474 1.005 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1539237214 ABYOBVSSDZPOJR-QHCPKHFHSA-N 440.548 1.744 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CC(F)(F)F 1539249936 GBTNHOUJWGGGBC-UHFFFAOYSA-N 443.437 1.488 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1539361958 KTYBXSYJZAXAHG-UHFFFAOYSA-N 431.504 1.701 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1539626554 FHNOZPSDCXWLJD-HLIPFELVSA-N 430.553 1.563 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539802914 BXPYOWSYZBVKSE-HOTGVXAUSA-N 429.974 1.091 30 10 IDEE COc1ccc([C@H](CNC(=O)c2cnn(CCC#N)c2C)N2CCOCC2)cc1OC 1540083859 FYPBHXWITVMSEO-IBGZPJMESA-N 427.505 1.926 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cccs2)CC1 1540908474 HIWSEGMLKSNFNN-UHFFFAOYSA-N 425.580 1.804 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)c1 1557550042 ACXDAWFNQIDECS-IBGZPJMESA-N 427.526 1.611 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1OC 1557896875 NZLGAIWGTNVZBO-SZPZYZBQSA-N 431.489 1.736 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1565590365 YPGCTIDJSONYBR-LJQANCHMSA-N 436.597 1.846 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1567949960 PCOQQROUCYLALE-JJRVBVJISA-N 438.937 1.399 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)C2)nc1 1569817871 FWEXIAHPKCZLKS-WMLDXEAASA-N 441.875 1.260 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1588638070 OCLSSIBFUBNVMI-SFHVURJKSA-N 438.488 1.320 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1588800513 JCXLGUQDFDPFMU-UHFFFAOYSA-N 441.536 1.322 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595477628 WUJSBBFOSOBEEO-RRQGHBQHSA-N 445.451 1.974 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1595561843 DKZPYRULONWMMK-UHFFFAOYSA-N 430.578 1.927 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1611765706 RHHWSGJDDRQDEY-HXUWFJFHSA-N 427.534 1.886 30 10 IDEE Cc1c(S(N)(=O)=O)sc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1Cl 1624911845 AIQIYGGJDZWZLG-UHFFFAOYSA-N 425.923 1.586 30 10 IDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1632070217 WWWGFLRPAYCYCY-WMLDXEAASA-N 437.518 1.232 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1 1634702315 RBARUOINDCUBQI-ZDUSSCGKSA-N 443.451 1.797 30 10 IDEE C#CCN1CCC(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1634986516 OPZCUPUEERTVOU-IBGZPJMESA-N 430.524 1.240 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1636512651 NYGSBAKLJCNMNQ-CRAIPNDOSA-N 448.545 1.530 30 10 IDEE O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@@H](O)C(F)(F)C(F)(F)F 1636669795 GONQJCKBKPVRQO-SECBINFHSA-N 444.300 1.658 30 10 IDEE CO[C@H](CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[C@@H]1CCOC1 1636834782 KQNMCQZQXHVGSK-OXQOHEQNSA-N 426.521 1.918 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)cc1S(=O)(=O)NCC#N 1637706272 KDUWSJKUMPTZTB-WBVHZDCISA-N 435.527 1.861 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)C1 1639270551 ZLGBPZAPRBFZJR-KRWDZBQOSA-N 428.514 1.865 30 10 IDEE N#C[C@]12CN(C(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C[C@H]1CS(=O)(=O)C2 1639822144 STGGYKACHZNQDR-XHDPSFHLSA-N 436.843 1.953 30 10 IDEE Cc1ccc(C(=O)NCC(=O)N2CCCCc3ccccc32)cc1S(=O)(=O)NCC#N 1639829967 SZEOIUUWHGHTDB-UHFFFAOYSA-N 440.525 1.896 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1642035131 PVWSWPAOECSGFL-RHSMWYFYSA-N 446.451 1.380 30 10 IDEE CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)cc2S1(=O)=O 1645084896 GDTVFBCZZLSMHG-MRXNPFEDSA-N 439.497 1.834 30 10 IDEE C#CC1(O)CCN(C(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)CC1 1646157409 QCQRIRNZMIKDHM-CQSZACIVSA-N 435.318 1.903 30 10 IDEE CC(C)(CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CS(N)(=O)=O 1648870187 DUBADKHEPJXZDN-UHFFFAOYSA-N 429.340 1.188 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1654553982 XYPPLRJORWKNIX-UHFFFAOYSA-N 447.845 1.791 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1682226639 OBPPSWQFWJKDFA-PMACEKPBSA-N 426.517 1.934 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCC3(n4cc(Br)cn4)CC3)CC2)cn1 1685048701 HXUYLBAIGSBWSG-UHFFFAOYSA-N 430.310 1.933 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1686533274 ZUFPAUHUTNRMMO-WCVJEAGWSA-N 429.539 1.148 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1689907562 CSSYZUSQRRQFAJ-SFHVURJKSA-N 426.565 1.962 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccccc2OC)CC1 1690113623 PDMDIWDKIPBVME-DEOSSOPVSA-N 439.560 1.937 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCOC2)CC1 1690132234 LXLANXNOXFOGEH-QGZVFWFLSA-N 428.562 1.451 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690246106 QTTMNVBDGUGFHB-ZJOUEHCJSA-N 446.596 1.410 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690510696 CCHFADORGPLTED-HNNXBMFYSA-N 445.549 1.076 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690670403 BBSSUCXLOBIIQR-GOSISDBHSA-N 430.553 1.313 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccn(CC)c2=O)C1 1690684868 QBJFWJSXCWTGTR-SFHVURJKSA-N 426.521 1.525 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)C(C)C)C1 1690700506 TVGHDPQWWBXGAO-MSOLQXFVSA-N 425.599 1.692 30 10 IDEE CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCSCCCO)CCN2C1=O 1696875896 FSNGTCXYTNKCCV-GOSISDBHSA-N 441.561 1.488 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1697115557 WCNDHCIXEIOZJL-RCDICMHDSA-N 437.504 1.666 30 10 IDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCSC2)CC1 1698490710 GFFGEOXGPCGGEF-LJQANCHMSA-N 432.575 1.878 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1705532700 QENMDIOPNMYZHF-SFHVURJKSA-N 433.603 1.977 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705564138 ALDZZUQUBPKCQY-QRVBRYPASA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1705566667 QDJLFETZKYSJKS-GOEBONIOSA-N 433.559 1.160 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C)CCOCC2)CC1 1705634568 BOHYLLKZORYDCL-QHCPKHFHSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)CC1 1705639838 XNJXQJHYENHPAQ-KRWDZBQOSA-N 446.602 1.101 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1705641077 PFQLHGISPFMJSS-UHFFFAOYSA-N 435.576 1.668 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCOC(C)(C)C2)CC1 1705644146 HIOJJIKSTVZWFC-UHFFFAOYSA-N 430.597 1.652 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705694265 QAJFNNPIQJWZAX-BBWFWOEESA-N 437.566 1.119 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnn(C)n1 1705712913 LTGHACSYSKSDFY-UHFFFAOYSA-N 445.553 1.170 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705740079 AWNJWTTVIVVKHW-UTKZUKDTSA-N 435.525 1.552 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705762590 CUTVYDXSTWXNMD-MRXNPFEDSA-N 446.577 1.843 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1705900889 SLWKDPVSDAARJW-KRWDZBQOSA-N 435.532 1.844 30 10 IDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)cc1 1705910554 FWVURASHDNZODH-SFHVURJKSA-N 426.521 1.984 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(COCC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709467009 FEKYTHVRCHHNCW-OAHLLOKOSA-N 441.536 1.902 30 10 IDEE CCOCc1nnc(N2CCS[C@@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710754405 HJSCNTDCFKHVJB-OZNQOIHVSA-N 434.566 1.919 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1711085287 BQPDOYURRLBLIB-OAQYLSRUSA-N 438.513 1.398 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722359952 XVEOMJVMAJSTTG-GOSISDBHSA-N 437.610 1.315 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1722363504 GDEQVBYJTXLIIH-CRAIPNDOSA-N 431.562 1.474 30 10 IDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1722363914 COVLARFJDIRJDZ-QGZVFWFLSA-N 449.964 1.285 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722371229 VAMZEBSJKOTGMZ-MOPGFXCFSA-N 437.610 1.562 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(NC(C)=O)c2)CC1 1722441965 VGBXAYJCFWCLGZ-UHFFFAOYSA-N 446.559 1.902 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722449881 SJLDXSMNIMFOCO-UHFFFAOYSA-N 435.594 1.410 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1cc[nH]n1 1722466260 NNVWMJRNUVICJL-OAQYLSRUSA-N 426.525 1.342 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722491635 MJCMEORTYIINTI-JKEDJMADSA-N 449.552 1.918 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722507893 QKJYEBTXPRWXRO-BQFCYCMXSA-N 449.581 1.130 30 10 IDEE C=C(C)COCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722538125 LIYVQEFOARWGFZ-KNQAVFIVSA-N 435.569 1.432 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723602252 LOWZVBVEHQBKJV-FBMGVBCBSA-N 429.525 1.569 30 10 IDEE Cc1cc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CC2)no1 1724225680 FENDFCJXPFGIKA-UHFFFAOYSA-N 448.531 1.914 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCNC(=O)C(C)C)CC2)c1C#N 1725866763 FREYJJURPZCHJX-UHFFFAOYSA-N 439.568 1.558 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1729338870 HBDBGELWJZVDDX-VQTJNVASSA-N 437.548 1.642 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1C 1740611182 WHTQICVDDKBISO-QGZVFWFLSA-N 429.525 1.746 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1740623543 WKQYQWGLGFZLNL-KRWDZBQOSA-N 440.504 1.858 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740627216 OSVSQFAHYAIEEX-RTBURBONSA-N 436.578 1.963 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740722350 HIYWTJVORZBOKW-MRXNPFEDSA-N 427.596 1.185 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CCCO 1740730778 HZCVRODBRKHPPN-WAOWUJCRSA-N 435.594 1.019 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740793307 QZCGUCJZPGCINN-SFHVURJKSA-N 442.495 1.814 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740888017 ONXRJCNQAHZZRG-RTBURBONSA-N 437.610 1.838 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1740946492 UYCFNLNSBKCOMQ-SFHVURJKSA-N 429.569 1.328 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(C(C)=O)CC1 1740954880 IDWWKNPSXACDIR-UHFFFAOYSA-N 426.477 1.035 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(F)F)C1 1740995064 YPMDXWGGEFQASH-AWEZNQCLSA-N 431.509 1.483 30 10 IDEE CCCN1CCCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1=O 1745722147 NGPWCDUPEKYUHG-QFIPXVFZSA-N 442.520 1.892 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1747538449 RSOVVAXDXJWRBT-UHFFFAOYSA-N 437.504 1.018 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)C[C@H]1O 1748336923 MPIFZZNZZOAACN-UKRRQHHQSA-N 439.394 1.651 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1748752118 SEBSPDRDGJQFFY-KRWDZBQOSA-N 448.618 1.681 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1748811396 GIJRCDAMSYYTLF-HKUYNNGSSA-N 446.577 1.813 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1748811896 NSODFDYHYVFUJU-IBGZPJMESA-N 438.557 1.856 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nccc(C(F)F)n2)CC1 1748979393 ZNLMBDFJFRPAPR-OAHLLOKOSA-N 435.479 1.533 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1749000840 BFYWFDXAAOLESE-LRSLUSHPSA-N 444.624 1.878 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749031875 LRZUPXVDODNAFZ-INIZCTEOSA-N 427.534 1.123 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749098323 WGXKBEQIBDMDDS-RYUDHWBXSA-N 427.303 1.415 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749210707 MYUBNMALHFMADS-SJORKVTESA-N 439.520 1.481 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749363509 FUDILPMTXVDQRN-CQSZACIVSA-N 429.525 1.352 30 10 IDEE C=CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1749517545 PLHOXLGSDOHQKS-LJQANCHMSA-N 438.532 1.938 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 1749681858 JZNPZNHJWKHCDQ-PGRDOPGGSA-N 443.552 1.696 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1760116595 INXYGSFSVWBAQP-HZPDHXFCSA-N 444.540 1.704 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1760116901 KYTRLOSPQHBTTH-CRAIPNDOSA-N 439.545 1.576 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760190504 XAAGRGWWBXKODW-MRXNPFEDSA-N 426.502 1.620 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1760210368 RDOFCTHJEHANGT-IDYZSHNDSA-N 435.594 1.947 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)CC1 1760257805 ALPUUKZDUIHFSD-UHFFFAOYSA-N 440.573 1.787 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCCCS(C)(=O)=O)CC1 1760257981 DALQVHQBXLILHQ-UHFFFAOYSA-N 445.589 1.924 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cncn2)CC1 1760313368 MYPCNHBNYSFKMF-RBUKOAKNSA-N 442.568 1.906 30 10 IDEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760344624 KNDAJCSNKKWPKQ-UHFFFAOYSA-N 437.548 1.857 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760527033 XKDHMMVBJKFSHV-HKUYNNGSSA-N 435.532 1.704 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CCOC)[C@H](C)C1 1760552844 CGSLYLGBVPFTEW-GOSISDBHSA-N 433.578 1.703 30 10 IDEE Cc1c(Cl)cccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1761642288 GHDQSBWHZYDCIA-ZFWWWQNUSA-N 438.941 1.627 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1769722343 MPIBZNYZJZBPBX-UHFFFAOYSA-N 446.515 1.674 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3C(=O)NC[C@H]3C3CCCCC3)CC2)nc1 1852496715 DNZUZZSJAUUJEV-FPOVZHCZSA-N 425.533 1.561 30 10 IDEE O=C(c1cc2n(n1)CCC[C@H]2N1CCOCC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852734055 SDIZFBYYKDQNBH-CYBMUJFWSA-N 449.455 1.534 30 10 IDEE Cn1cnc2c1CC[C@H](C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N)C2 1853167472 CAMKBPWLHZOUTR-ZDUSSCGKSA-N 434.953 1.872 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)C(=O)C2)C1 1853728813 BDOPYZPOQQHCIR-SFHVURJKSA-N 428.924 1.774 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nnc(C(F)(F)F)o3)C(C)(C)C2=O)CC1=O 1854377482 BXCLQZOKHCWUEJ-NSHDSACASA-N 429.399 1.072 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1854466622 NDBXJNJXIHEEOC-OALUTQOASA-N 435.521 1.780 30 10 IDEE COC(=O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc1 1862755605 FHWIHRNYKITMHF-KRWDZBQOSA-N 426.381 1.952 30 10 IDEE C=CCOc1cn(CCOCCO)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1870811584 BSVRNZHECLXOJS-UHFFFAOYSA-N 442.560 1.786 30 10 IDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(OC)c(OC)c2)cc1=O 1871004751 VRYGORLNECLXQR-UHFFFAOYSA-N 427.501 1.822 30 10 IDEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562782 SPZLFLSXPQUDMI-UHFFFAOYSA-N 434.504 1.206 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)CC1 1889639715 GJEZVFWAKOUCIN-UHFFFAOYSA-N 444.601 1.757 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccco4)nn3C)CC2)CC1 1890178352 WFNVUVSBGDBTGC-UHFFFAOYSA-N 439.560 1.942 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cs1 1890557971 LXLMVPHRRGLQMW-UHFFFAOYSA-N 439.419 1.962 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2163713383 KUTFRDXNLGFTNF-UHFFFAOYSA-N 447.164 1.920 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 2246472415 DJPXAHUVUWBGDB-JYJNAYRXSA-N 438.525 1.718 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248402489 XRTDCQQYCHRLHU-GFCCVEGCSA-N 441.359 1.334 30 10 IDEE Cn1ncc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255829465 PLUZADSVFIOCCX-NRFANRHFSA-N 434.346 1.849 30 10 IDEE Cn1nc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843682 KCNRTGLGLTXZNQ-NRFANRHFSA-N 434.346 1.849 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256613909 KLRYFKRUQJRQQQ-WMLDXEAASA-N 434.342 1.876 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H](C)N1C(=O)OC(C)(C)C 2267597173 OSDBXGHAVXRCLC-KBPBESRZSA-N 449.361 1.584 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1C 2315525744 XFLNHHFTSVOYSA-ZIAGYGMSSA-N 434.346 1.813 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc(O)cc1O 2330773073 PJGATGJMJVPSFD-UHFFFAOYSA-N 446.533 1.749 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2334264314 ZXDXSHRGSVCBMH-IMJJTQAJSA-N 444.341 1.761 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2337246000 CMCDFHAFVMPWHM-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccncc3)n2)cc1 20837681 MFAFWHYJPMENDW-DJKKODMXSA-N 432.491 1.024 30 10 IDEE CCCCNC(=O)NS(=O)(=O)c1ccc(NN=C(C(=O)OCC)C(=O)OCC)cc1 59449571 KHAOQAIWSSWDAV-UHFFFAOYSA-N 442.494 1.369 30 10 IDEE CC(=NOCC(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCO2 254303488 LZJPWKQUPMIMHG-ZDUSSCGKSA-N 427.413 1.825 30 10 IDEE COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H](C)n1cnc(C#N)n1 409782979 DTZIFIJHYFGJMQ-ZUZCIYMTSA-N 445.277 1.855 30 10 IDEE COc1cc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)ccc1C#N 427152322 IMZZNRQHGOULJK-UHFFFAOYSA-N 435.527 1.643 30 10 IDEE COC(=O)[C@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccc(F)cc1 428578540 VZEXTHSFEXMWTP-HXUWFJFHSA-N 433.461 1.754 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccnn2C)c(=O)n1CCC 430991977 WXSWFDKCAQHOPB-UHFFFAOYSA-N 435.553 1.750 30 10 IDEE COCCO[C@H]1C[C@@H](CO)CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 446177672 QQBAVNUZTKVDAD-PBHICJAKSA-N 433.896 2.275 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)cc1 463268015 SUTWPEVMEYXILS-UHFFFAOYSA-N 438.507 1.956 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 466578747 TYNZOTSZSIVPHB-QHAWAJNXSA-N 430.512 1.942 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)C2=O)cc1 487275570 KQHITGRZKYOAFV-RTWAWAEBSA-N 449.486 1.899 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 487511788 IEJNKLBGVFJKGI-WOJBJXKFSA-N 432.484 1.549 30 10 IDEE N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 504784658 IGGZLUIPDIPIKM-UHFFFAOYSA-N 428.445 1.239 30 10 IDEE C=CCn1c(CCCc2cccs2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508498227 QOBRTBWPYIALPI-UHFFFAOYSA-N 444.605 1.682 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 522284692 PXWUYTIIIAUGRP-UHFFFAOYSA-N 442.537 1.836 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 531603538 ZLISDYMIYNGCPO-IBGZPJMESA-N 446.504 1.967 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)co1 534426836 NFQILMOBAYSRTL-OAHLLOKOSA-N 434.499 1.555 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1c[nH]cc(Br)c1=O 535562612 KJERIHMFSOCQHA-SECBINFHSA-N 425.264 1.315 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1C 542069847 RGFXCBWMZNHKMJ-UHFFFAOYSA-N 447.908 1.746 30 10 IDEE COc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1NS(C)(=O)=O 570372795 HURJMIHLUSXKCF-UHFFFAOYSA-N 430.490 1.687 30 10 IDEE COc1cc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1C#N 575098628 RBSLZOMHSDVXTD-UHFFFAOYSA-N 431.474 1.304 30 10 IDEE N#Cc1ccc(OC2CCC(NC(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)CC2)nc1 576719978 XMKURCDDNXCPET-UHFFFAOYSA-N 447.561 1.853 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)CC2)cc1 590061247 QBHRVJIZOCMAQK-QGZVFWFLSA-N 440.529 1.123 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C)c2=O)o1 603797177 DIGQPAASDFICPS-UHFFFAOYSA-N 435.505 1.471 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416034 DIEUALQFIWBISJ-UHFFFAOYSA-N 435.461 1.068 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(C)C)c1 730140470 WWHBBGQOPCVUSI-KRWDZBQOSA-N 433.578 1.555 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(C)C)c1 730140473 WWHBBGQOPCVUSI-QGZVFWFLSA-N 433.578 1.555 30 10 IDEE N#CCOc1ccc(Cl)cc1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 735308156 CSTFGWDDUBNPPK-UHFFFAOYSA-N 438.893 1.441 30 10 IDEE COc1ccc(COC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1C#N 747065844 UVTCLTDHLRNQQJ-OAHLLOKOSA-N 429.454 1.311 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)C1=O 763654358 DXWGEMWPEFBYOJ-CQSZACIVSA-N 444.488 1.865 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@H]2CC(=O)OCC)ccc1F 774075029 SMPCPTIYDZBRHV-LSDHHAIUSA-N 428.482 1.473 30 10 IDEE COc1cccc([C@@H]2[C@@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCN2C2CC2)c1 779351386 LAJHIJKYBAIJIU-LNRWMDGCSA-N 439.516 1.799 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2nc(C)c(Br)s2)n1 788694194 MLGQMKIIWXMRGW-UHFFFAOYSA-N 433.353 1.881 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2N=Cc2nccnc2OC)c1 792898537 CUPJITMCOXDNIO-UHFFFAOYSA-N 447.546 1.945 30 10 IDEE Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2cccc(C#N)n2)CC1 800768528 LHIYQBPVMAYHJE-UHFFFAOYSA-N 432.488 1.835 30 10 IDEE CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)OC(C)(C)C 1125203449 WVBLTBNDUOMWBR-NOEYKIMYSA-N 425.507 1.795 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)n[nH]2)c1C 1137427141 QIYPCKSCPUVXNM-UHFFFAOYSA-N 432.550 1.762 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1137537396 NGPMCHQBCYVVHM-BTYIYWSLSA-N 430.509 1.147 30 10 IDEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179653337 XSWPUWHOYCVBOL-BBTUJRGHSA-N 433.530 1.724 30 10 IDEE C#CCCCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1248473277 MVSWFTNUOLIINJ-MSOLQXFVSA-N 433.553 1.977 30 10 IDEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286357662 YEGNASFHERZEOU-SFHVURJKSA-N 436.516 1.034 30 10 IDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286396728 YPGMFBWJEYOHBA-FGTMMUONSA-N 437.610 1.355 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCC(OC)CC2)CC1 1286480612 NVZCTCSUYVESFB-GPJFCIFZSA-N 449.621 1.531 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1286485548 PRSTVVLTKJWBTE-ANULTFPQSA-N 429.565 1.739 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CC(N)=O 1286546370 IUNXUUJCJAZIKZ-RKVPGOIHSA-N 427.509 1.607 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2cc(CO)nn2)CC1 1286656898 RBFRKYAIDDEGCI-QFIPXVFZSA-N 445.568 1.895 30 10 IDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1286677705 IEASCIGTHPOSKA-UHOSZYNNSA-N 444.561 1.977 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286824429 CTIAPBGSDUXYSO-TXPKVOOTSA-N 428.555 1.145 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cn2)CCO1 1290895203 ZIFMKRDYDXNTFE-CQSZACIVSA-N 432.477 1.673 30 10 IDEE C#CCN(CC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C 1292592370 KBWKIMVOBRRNOF-UHFFFAOYSA-N 448.951 1.975 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1295707133 CRSBXGKYRGPLTD-GOSISDBHSA-N 443.610 1.957 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1300309717 IJHJWAZBOWHSDV-IRXDYDNUSA-N 448.568 1.959 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300336746 MXNJDDYTDZTONH-IBGZPJMESA-N 443.596 1.354 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CC 1300511758 BYIOMKIMUSOFAE-NRFANRHFSA-N 428.562 1.780 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1300513630 YAYOOJSHGFUDSY-REWPJTCUSA-N 429.565 1.360 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1300577791 BSQPRPDPQGGZQD-VQTJNVASSA-N 431.606 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1300578557 MIZLORQYSKAJKE-IBGZPJMESA-N 425.558 1.979 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCO[C@H]1C 1300656733 ARMSRTGQXSAYDC-SBUREZEXSA-N 436.516 1.961 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccs1 1300657669 OSRSUQLRFOXETL-UHFFFAOYSA-N 431.543 1.939 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@]2(C)CN(C)C2=O)n1 1300680472 CNKQXDVVSIFFAE-XMSQKQJNSA-N 441.536 1.091 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)CN2CCOCC2)CC1 1300703681 PJZZZEOYJKFWJG-GOSISDBHSA-N 443.621 1.357 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCC[C@H](C)C2)CC1 1300719657 KZILIWZWVWLVCM-SFHVURJKSA-N 438.580 1.376 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300843967 LVUVURFDEBYKIE-CABCVRRESA-N 428.331 1.422 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1301045411 UINMRSWEGQGFCL-CRAIPNDOSA-N 445.973 1.370 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1301189299 UPOPUMFHGOHTKT-SFHVURJKSA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1301477923 FVBMHNDAWQKCFE-MRXNPFEDSA-N 439.520 1.151 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301516550 LTARTRDPCXYTRF-SZLLDUCCSA-N 444.536 1.909 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1303651664 CRCVPIQZMCFUHY-XJKSGUPXSA-N 434.447 1.853 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(OCCOC)c(Br)c2)C1=O 1309443529 BJFXMABOLNLXNM-OAHLLOKOSA-N 447.351 1.882 30 10 IDEE CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCN(C(=O)c2ccccc2)CC1 1318420879 FQXFTZKWBNLAQX-FMQUCBEESA-N 425.489 1.459 30 10 IDEE N#Cc1ccc(F)c(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 1350001414 HKPZZYVSEVPWNS-UHFFFAOYSA-N 431.474 1.849 30 10 IDEE CN1C(=O)CN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1=O 1356319135 NZGZJAGDCZYNEV-PGMHBOJBSA-N 435.506 1.112 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(Cn3ccnn3)o2)c1 1357483109 BPBMIIVUOJDHKX-PYCFMQQDSA-N 428.474 1.985 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1358913683 VPXZCBMOHGAHGQ-GOSISDBHSA-N 428.562 1.705 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358968061 YNWKCHQNGBUQAV-SFHVURJKSA-N 437.610 1.563 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1358980457 VUEDJJAQGLQFLV-UHFFFAOYSA-N 433.484 1.255 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1358984865 IYBXPPBVYAAVLK-MRXNPFEDSA-N 427.530 1.430 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1359203147 JHZVIPGNAJDDJD-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)OC)C1 1359301233 VGBNUHSTDSMGAG-YOEHRIQHSA-N 427.461 1.092 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359347104 DWSGISNWTSZFLT-MRXNPFEDSA-N 436.582 1.222 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1359586230 DQQCPBPPKDJLNG-UHFFFAOYSA-N 430.534 1.356 30 10 IDEE COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466635184 IKQGIZWHGSVDKT-ZKEMRMIHSA-N 431.493 1.397 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1472595177 QEDZWCYIMQHYKQ-KRWDZBQOSA-N 431.489 1.350 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCc2ccccc2S(C)(=O)=O)C1 1478402559 CAQRXWSPMUNJND-CVEARBPZSA-N 436.534 1.691 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1479312602 IZGNHKYJJSDPQL-DLBZAZTESA-N 434.537 1.136 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1C 1492394655 PQGQKYIHMOZUFC-SFHVURJKSA-N 448.549 1.142 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1507514464 CULIXYWHJHBTJK-SJORKVTESA-N 441.561 1.639 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1507549885 AWQNOXGRRZMOGZ-INIZCTEOSA-N 427.530 1.646 30 10 IDEE C#CCCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507575002 RWHXIKRFKFXUHI-HSZRJFAPSA-N 440.548 1.779 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1507634460 NLAVSLZUIWVDIU-LTIDMASMSA-N 440.591 1.024 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cnn(C)c2C)CC1 1507737707 CIROJWXXKLQKLM-LJQANCHMSA-N 425.537 1.576 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2cnn(C)n2)CC1 1507738493 PVJWOXLYJIRYOF-UHFFFAOYSA-N 447.547 1.376 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507752853 AJXMFVCLGXILRD-SJORKVTESA-N 430.578 1.338 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508136020 QTVIIMOZPCQWMH-KRWDZBQOSA-N 445.545 1.366 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1508389410 KFHNETUEVKVQQI-HXUWFJFHSA-N 437.548 1.501 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1516179175 GRTXEOZEOVTYAA-VGOFRKELSA-N 430.553 1.975 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)c2cc(C#N)ccn2)o1 1523471139 CFISPBSNTCYWIZ-AWEZNQCLSA-N 432.458 1.539 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1536289314 JUCSWYVYCLKJBB-SFHVURJKSA-N 430.461 1.553 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC(=O)N(CC4CC4)C3)CC2)cc1 1536760582 NMSRHCFTGDEGOX-SFHVURJKSA-N 430.530 1.086 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539023569 VOVVNGKBTBEIGG-IAGOWNOFSA-N 431.562 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1ccc2c(c1)OCCO2 1539395723 ICWBHMPUSPLLCP-UHFFFAOYSA-N 427.505 1.516 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1539489392 MRTHZDIFVCERRR-OALUTQOASA-N 446.621 1.428 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539963604 YUJNGMMKAGPFOY-DLBZAZTESA-N 440.552 1.983 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2ccc(Cl)cc2)s1 1540715849 HDLWDVDKVKHGKN-UHFFFAOYSA-N 441.962 1.955 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1540867204 ODRDICJLNFVFCB-QHCPKHFHSA-N 436.516 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1540867888 LACCFIPWYGLLIN-INIZCTEOSA-N 440.508 1.670 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1540872320 KSDORTYPUXIXMN-UHFFFAOYSA-N 446.502 1.896 30 10 IDEE CC(C)OC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541742203 FOCSODNWPQVEPK-QQMHEVNUSA-N 444.536 1.702 30 10 IDEE Cc1cc(F)ccc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1542222540 HUKFJCKOZVSTIS-YOEHRIQHSA-N 436.513 1.307 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1547311664 DHSLXSXBQJKLGU-YLJYHZDGSA-N 437.548 1.452 30 10 IDEE CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1548200430 GQINXFWCQCDLMZ-SFHVURJKSA-N 446.577 1.961 30 10 IDEE CN1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1554364173 DABKVNCLAMQPPK-HXUWFJFHSA-N 441.555 1.763 30 10 IDEE CN1CC[C@H](N2CCC(NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O 1556527483 ZZSJOAIYNKOWIF-IBGZPJMESA-N 432.565 1.448 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(Br)cc(C)c3o2)CC1 1558073063 KWYQOLWMDSPYLZ-UHFFFAOYSA-N 440.319 1.729 30 10 IDEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1587563834 HJJINEBDFBLBNK-UHFFFAOYSA-N 426.454 1.134 30 10 IDEE C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1587793242 KIABYYDELASYFO-CVDCTZTESA-N 445.564 1.561 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1587998829 KKNYSHXBVHCHMG-UHFFFAOYSA-N 430.560 1.919 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588054253 MPKUVGVFPUUQBQ-HZPDHXFCSA-N 449.602 1.866 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1588059601 QTDCYCDMZLYCRR-LSDHHAIUSA-N 433.500 1.351 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589069073 IKCKLDKHKBWXBG-SFHVURJKSA-N 434.610 1.139 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1589070233 QWPJZKQLZWIZCD-ZWKOTPCHSA-N 438.619 1.800 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOCC1 1589483691 PTTLIZIECBFEMH-OALUTQOASA-N 432.569 1.264 30 10 IDEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594693094 PVJGOEBPFNOXNI-UHFFFAOYSA-N 433.516 1.710 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NC)c2)C1 1595744536 MDZMQBXXZOCJIZ-IBGZPJMESA-N 438.532 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 1595831631 VBYLMUVYHZJXIO-QGZVFWFLSA-N 439.582 1.471 30 10 IDEE O=C(CN1CCCS1(=O)=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598484120 WKIJNPZWGNFCCS-HTQZYQBOSA-N 430.317 1.651 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1611292452 NSGLEKNWSLEVJI-CQSZACIVSA-N 435.506 1.473 30 10 IDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1612597211 SRRWHIQEIZOHQJ-IBGZPJMESA-N 448.506 1.663 30 10 IDEE CC[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)N1CCCC1 1613660022 KZIZNACYKVUTSG-WOIUINJBSA-N 432.569 1.922 30 10 IDEE N#Cc1cccc(NC(=O)N[C@@H]2CO[C@H]3[C@@H](n4nnnc4Oc4ccccc4)CO[C@@H]32)c1 1614587362 JECISGJVUAPUME-HCXYKTFWSA-N 433.428 1.866 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCO[C@H](C#N)C2)C1 1614906114 VKLXMWUUKZRUJR-JLTOFOAXSA-N 425.482 1.085 30 10 IDEE CCN1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1615864733 DMOHHQDOTGTECG-XOMICKMZSA-N 427.553 1.993 30 10 IDEE CO[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1618989394 OAWQGAFQIUXAJU-ROUUACIJSA-N 438.536 1.493 30 10 IDEE CNC(=O)NC[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1620498175 HESXSTOAZXFZLD-UXHICEINSA-N 430.528 1.318 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1=O 1622074737 QBACKAJZVOALGJ-OALUTQOASA-N 435.546 1.694 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c1 1624304089 QVMWQNKIZHLSKZ-GUDVDZBRSA-N 430.530 1.722 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1626364581 RSPNUYDZHZOQNZ-OTWHNJEPSA-N 438.546 1.814 30 10 IDEE C=CCC1(C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)CCOCC1 1628338983 MWEFVNQLMXAIAM-UHFFFAOYSA-N 435.590 1.790 30 10 IDEE CC#CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 1628507543 FBASNZRMOBMZJJ-INIZCTEOSA-N 434.562 1.427 30 10 IDEE CS(=O)(=O)N1CC[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1631791233 XRVXYOPWQOCCLI-LBPRGKRZSA-N 441.351 1.155 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](NC4CCOCC4)C3)C2=O)cc1 1637000062 LEJXZTVYNQUWKP-UYAOXDASSA-N 439.516 1.523 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 1638395085 MMYTWKSBTXMWLC-HZPDHXFCSA-N 426.539 1.441 30 10 IDEE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639175631 VENKAOWCMRPLOE-KNBMTAEXSA-N 437.949 1.881 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4csc(S(N)(=O)=O)c4)CC3)n[nH]2)cc1 1640947190 HCILWWVMFWHNTJ-UHFFFAOYSA-N 442.526 1.620 30 10 IDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1642900725 XFZQCXYUGABWNO-QHCPKHFHSA-N 435.459 1.813 30 10 IDEE CCOC(=O)[C@]1(C)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1643018466 LLEGYAYNVWDSTR-OWSCLCTJSA-N 435.521 1.954 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CN3CCNC3=O)cc2)s1 1643723710 GKCBPQKNCNGSGJ-UHFFFAOYSA-N 448.570 1.597 30 10 IDEE COC(OC)C(=O)N1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 1645202347 SKYBTYFQEQYQQC-UHFFFAOYSA-N 439.516 1.984 30 10 IDEE C[C@@H](CC(=O)NCCc1cccc2c1OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 1646412495 NBCMZWITSFTRHR-AWEZNQCLSA-N 429.498 1.634 30 10 IDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1648119673 ZNEVCXMQJADWGJ-GOSISDBHSA-N 442.495 1.673 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@](C)(CO)Cn1cnc2ccccc21 1648711031 AIWDEMNWNOOQPA-QVKFZJNVSA-N 441.513 1.142 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)C 1649538768 GXVIOBSLSGFQFF-OAHLLOKOSA-N 445.593 1.777 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1650951892 UYAIAXCUBKWHGW-GOSISDBHSA-N 436.530 1.093 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(OC)c2)CC1 1659626050 PJTAHGQGLQSNKV-UHFFFAOYSA-N 431.312 1.075 30 10 IDEE C#CCN(Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1663860244 NDTRRNOURKVULM-SJORKVTESA-N 437.566 1.472 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 1674929986 HDKLOFZOPYUGMY-UHFFFAOYSA-N 443.573 1.431 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNC(=O)CCCc1ccccc1 1682171007 WIYFRXROCRVNJO-SFHVURJKSA-N 435.532 1.707 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(C(C)=O)CC1 1689924690 PXSPAJXRDZRJOK-UHFFFAOYSA-N 443.577 1.710 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689986612 TZHVJFHTTMUPTG-VQTJNVASSA-N 442.589 1.841 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1690058072 NVFANAXHLQDPPJ-QGZVFWFLSA-N 433.520 1.787 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1690128395 COMLCKFZMHWINU-GOSISDBHSA-N 443.573 1.067 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1690592773 IICVTBXIRVGTOI-SJORKVTESA-N 437.552 1.908 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC[C@@H]1C 1690663266 RACQWFCLIOPCAM-AWEZNQCLSA-N 435.575 1.593 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1690746713 HVJDMLBCJKFHSZ-MRXNPFEDSA-N 427.596 1.687 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1696867504 IFGLMMJZBTWBJV-UHFFFAOYSA-N 446.515 1.287 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC(CO)CC1 1698520763 QNSGGNOGZUIIJH-QTIQAUKSSA-N 430.509 1.255 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1705495505 QSJPLTTWPUCHTD-OLZOCXBDSA-N 437.488 1.657 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705571534 AJPQSIRXNNWBRM-HZPDHXFCSA-N 435.575 1.878 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1705604166 HCVDKLYIHIJUDY-OAHLLOKOSA-N 432.550 1.146 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2csc(COC)n2)CC1 1705635478 ZOSKBXASHJMVMR-OAQYLSRUSA-N 446.577 1.337 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1705638361 ICIJAYJICBVHHF-GOSISDBHSA-N 440.514 1.954 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705658682 XLNUWQJRRDBIMT-CYBMUJFWSA-N 439.467 1.606 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705739703 NZDBCVUKUFLHPX-HOTGVXAUSA-N 444.561 1.577 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1705884561 RNNBVNOUSSFUOK-LJQANCHMSA-N 449.577 1.607 30 10 IDEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1709750427 CLXMODBJWMWTOD-MRXNPFEDSA-N 432.525 1.928 30 10 IDEE COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712426998 BDGDSKVQSXGARR-LJQANCHMSA-N 440.552 1.301 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1712620520 NQAOOSZTCBIUBM-GOSISDBHSA-N 440.504 1.203 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1722362089 RZCDNRWVADEYNM-INIZCTEOSA-N 443.533 1.212 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1722364411 GRJXTAGJRKNSQI-QGZVFWFLSA-N 436.497 1.404 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1722433582 AQRXXELQWBXCDU-UYAOXDASSA-N 440.504 1.660 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)CC1 1722437328 LRYGSZJXWIQXJH-INIZCTEOSA-N 434.591 1.057 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)CN2CCCC2)CC1 1722442151 ZGKLQSOVENLTBC-SFTDATJTSA-N 444.624 1.879 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1722640482 OIOVCMCBCINPFR-OAHLLOKOSA-N 436.557 1.981 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1722695889 SYUITONGZAFCPA-ZDUSSCGKSA-N 432.912 1.576 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722699234 DUMSSHZLTQQWPK-UHFFFAOYSA-N 448.531 1.066 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(C)(=O)=O)C1 1722721685 KRZGMWQSVKQJAO-CQSZACIVSA-N 441.504 1.478 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1723454544 ABZMVLZMQBQRPK-UHFFFAOYSA-N 431.491 1.976 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(O)CC1 1723958872 BMAYIEVLWOGZGM-OIISXLGYSA-N 430.534 1.157 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1740558089 QTKCMHHYLUECGM-KRWDZBQOSA-N 429.546 1.473 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740622620 FFMIEPSBAGWNQI-AWEZNQCLSA-N 447.483 1.241 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740678583 OSXBUKOTWRWGLU-XLAORIBOSA-N 425.533 1.469 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1740723017 NYXGNBLZPQPBSP-UHFFFAOYSA-N 429.546 1.901 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740727142 BBBHXLPBPFFQRK-NHCUHLMSSA-N 430.530 1.495 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)COC)CC1 1740755652 BSGHTXTYCQZXSY-JXFKEZNVSA-N 441.536 1.448 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OC)n2)CC1 1740786760 NWEGJZUYYHOXSS-WMZOPIPTSA-N 429.525 1.703 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740832379 DAHQNVWEDABWNQ-INIZCTEOSA-N 442.582 1.344 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740963529 NUKPNCUDKDFTLD-DEOSSOPVSA-N 449.559 1.848 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccn(CC)c2=O)C1 1740972750 MOIKFVKLAHFEHH-CVDCTZTESA-N 443.548 1.941 30 10 IDEE CC1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1741124495 FQFJRTVKAZJLKI-BRWVUGGUSA-N 425.603 1.605 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCCO2)n1 1742712512 FATFNCMGTBNPBX-MOPGFXCFSA-N 429.525 1.454 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1744802659 CVCJRGWAEDWNDN-ZEVGMECHSA-N 441.536 1.552 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1748892160 JWTWONNIPUGGCF-UZGSZPBKSA-N 441.576 1.515 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1748892967 YZPFUYFAZKOBKW-GOSISDBHSA-N 440.529 1.045 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1748944710 BWUJKUXDTHYSNY-INIZCTEOSA-N 443.508 1.136 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(SC)CCN(C)CC2)CC1 1748992602 ARTPAKHCTUWTLP-UHFFFAOYSA-N 439.633 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccnc2)CC1 1749015286 BOCQODSKFOTTRX-UHFFFAOYSA-N 435.532 1.004 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749024436 QKVQAFVFVDRPMM-MRXNPFEDSA-N 427.490 1.434 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCCS1(=O)=O 1749079557 BDYBCCDWEIGCEY-ABSDTBQOSA-N 437.566 1.030 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1749655816 SOXPCKNAVNHPHJ-HOTGVXAUSA-N 431.518 1.018 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CCOCC2)C1 1749721696 RBCPDDYPNOPMNA-UHFFFAOYSA-N 425.555 1.024 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1750203878 WFYUOZXLMFQQIT-SFHVURJKSA-N 440.533 1.684 30 10 IDEE CSC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1750222847 YKILYYNYVKVYEY-MRXNPFEDSA-N 439.545 1.105 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)C1 1750378294 GUULGJALKPIOOR-TXPKVOOTSA-N 441.529 1.208 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cc(C(C)(C)C)no1 1751207847 CCPLXJMNMWCAEZ-CYBMUJFWSA-N 435.554 1.962 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760135919 NUVQUYZSEBCUHD-GOSISDBHSA-N 431.566 1.486 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1760188807 MYBXTWZJVZBQIO-KRWDZBQOSA-N 440.533 1.026 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1760192205 GHMLHJTTWQPLBA-FQEVSTJZSA-N 445.589 1.864 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCS(=O)(=O)C1 1760505461 UVWXEONUNMYANV-OAHLLOKOSA-N 425.580 1.707 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(F)(F)F 1761235895 OLWCTPRDNGOUPC-CQSZACIVSA-N 429.447 1.519 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1770316121 GZPHDGGKPNJXQK-OALUTQOASA-N 445.545 1.636 30 10 IDEE CN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C1CN(c2nccnc2C#N)C1 1849307096 ZCBCVZQUJYRUBK-UHFFFAOYSA-N 433.921 1.903 30 10 IDEE Cc1ccc(N(C(=O)[C@@H]2CC(=O)N(C)C2)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1850588931 RPSDDAANHIOYCP-MRXNPFEDSA-N 443.529 1.812 30 10 IDEE CN1C=N[C@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)C1 1851917923 QKLMOWYYNWUDKC-QUCCMNQESA-N 427.482 1.665 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CCS(=O)(=O)c2ccccc2)CC1 1852147201 PAKLNOYSPOWKMV-UHFFFAOYSA-N 428.514 1.482 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854285757 AFMYVOAUYIOBJA-IBGZPJMESA-N 432.546 1.450 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)C(=O)C12CCCC2 1854410334 LJPVHPLUHXHBNI-UHFFFAOYSA-N 426.498 1.928 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)C1=O 1854519024 NRBNGOXCMHMWJB-CRAIPNDOSA-N 432.546 1.147 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C1=O 1854609354 VVJZBTNYVSKVLA-PMACEKPBSA-N 431.558 1.950 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)CC1 1855470548 GQYFLBUYJHQMPS-QZTJIDSGSA-N 436.578 1.191 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCc4ccccc4O3)C2)CC1 1857056163 KSXYBBJGHPDNCE-HKUYNNGSSA-N 431.514 1.321 30 10 IDEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/C(=O)O)cc1 1858674106 HXUFHJJGSNEGRT-MDZDMXLPSA-N 428.426 1.326 30 10 IDEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869930212 UMLYCLVZWCUERC-GOSISDBHSA-N 447.582 1.868 30 10 IDEE CN1C(=O)[C@H]2CN(C(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)C[C@@H]2C1=O 1890173028 ZCLBHPFRMUVHCB-KBPBESRZSA-N 439.497 1.564 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c(N)c1 2162567810 KEMWXIXHGOSSKL-QZTJIDSGSA-N 430.486 1.503 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247832753 URPRXFZFELTNBV-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254749474 XAFFIHLEORZOEO-GFCCVEGCSA-N 437.277 1.939 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2255615321 QHHJYRBIXIIREF-VIKVFOODSA-N 432.330 1.314 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255622530 ATGQUFUKBYZEAD-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@@H]1OCc1ccccc1 2255747158 GFVAMPKDUIDPSE-CVEARBPZSA-N 448.354 1.140 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2255838960 NZXMSSKAJXSGPS-GJZGRUSLSA-N 432.330 1.553 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CN(Cc2ccccc2)C1 2255948786 PPJVSQAQBJTSRY-UHFFFAOYSA-N 446.382 1.130 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1CNC(=O)OC(C)(C)C 2267182401 GEMZUCOIUCQRIP-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)n1 2267503859 KGZOJGUMIXBZOG-LJQANCHMSA-N 441.259 1.972 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504394 RGOWQFCZNFIIJV-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267605998 RPELRRFTJYVAFW-UONOGXRCSA-N 449.361 1.632 30 10 IDEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 2296114269 UOCKYIFAPLBHLV-OAQYLSRUSA-N 447.495 1.792 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303114813 OHPLQCNTYYGMOT-AJNGGQMLSA-N 426.319 1.022 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315603140 YZMJKDTWXHCAFM-UONOGXRCSA-N 434.346 1.705 30 10 IDEE CCCc1nnc(SCCO)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331665276 DOVNVKLMZPHQMR-UHFFFAOYSA-N 449.577 1.917 30 10 IDEE C=CCNC(=O)CN1CCN([C@H](C)c2nc3sc(C(=O)OCC)c(C)c3c(=O)[nH]2)CC1 27559485 SNSYRFWUFULZFT-CQSZACIVSA-N 447.561 1.451 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2cccc(F)c2)n[nH]1 59887591 VWAFHEAOLAXQDZ-AWQFTUOYSA-N 432.485 1.926 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@@H]1CCCO1 440378602 LDWAZGHLQIXTTL-SFHVURJKSA-N 441.553 1.264 30 10 IDEE COc1cc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1OCC(=O)N(C)C 462085501 BDLCUUDMPUYACX-UHFFFAOYSA-N 449.471 1.936 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 465408344 MUTVQVSHFNERDQ-UHFFFAOYSA-N 438.506 1.116 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1S(=O)(=O)N1CCCCC1 471936166 XKPGQDRLXSVQAC-GOSISDBHSA-N 427.548 1.473 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1C#N 479048025 UETHEPFRFUWDMP-IBGZPJMESA-N 439.495 1.372 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 483095702 BRFHRXMXTPGMTN-MAUKXSAKSA-N 432.546 1.522 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)c2cnc(C)c(C#N)c2)c1 489588995 HURKUIOOJAFFNN-UHFFFAOYSA-N 429.462 1.075 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@@H]2CCCO2)c1=O 512721415 VGUUQZYEJGPJAR-SFHVURJKSA-N 449.536 1.447 30 10 IDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542070319 QHDSMZFHEXAAIZ-LLVKDONJSA-N 433.881 1.436 30 10 IDEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549687497 FBSSGTPPJWEQGQ-UHFFFAOYSA-N 438.576 1.734 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 555256746 QMXNNIDGAFCZNT-HNNXBMFYSA-N 438.575 1.796 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H]2CCCO2)n1 555384819 TVESYGJNKGOOHV-HXUWFJFHSA-N 447.547 1.912 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 558986395 LBIRDGWPFLJNRF-ZIAGYGMSSA-N 437.488 1.966 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CCCC1 562095722 KCVGDHIRUJFAQA-UHFFFAOYSA-N 433.502 1.685 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 590973046 NVEOBWUULPPWGC-OAHLLOKOSA-N 437.496 1.692 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 604175931 KQDCPMDRKAKCEJ-INIZCTEOSA-N 428.537 1.661 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1Cc1ccccc1 618638215 HZFPVGOPYMVUKR-UHFFFAOYSA-N 426.501 1.755 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 727120557 IGPMFRGCVQVXMP-IBGZPJMESA-N 430.549 1.569 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCSCC3)sc(=Cc3ccoc3)c2=O)c1 732662961 FUQGUWKGNXOCTN-UHFFFAOYSA-N 447.541 1.552 30 10 IDEE Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c12 732911069 XYXKBTWMVFPPGD-INIZCTEOSA-N 438.465 1.778 30 10 IDEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC[C@@H]2CCCO2)c1 737304944 DMNSENBVSKSYJM-CVTQAYBASA-N 442.472 1.134 30 10 IDEE CC1CCN(Cc2ccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 737305161 FPTXFDGYLKUJBP-QZQOTICOSA-N 439.516 1.500 30 10 IDEE N#Cc1ccc(OCCNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 741864766 QADMBZWVOMDFSO-UHFFFAOYSA-N 446.554 1.945 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 746103025 FBODGOVBUVUUJJ-DQRAZIAOSA-N 426.473 1.019 30 10 IDEE N#Cc1cccn(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1=O 750607864 HGMKSNDMFWBSIV-UHFFFAOYSA-N 426.420 1.703 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 753990915 QJYFBPFHGRPPBV-NRFANRHFSA-N 447.495 1.251 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758072759 YZCVHKAQNIKILI-UHFFFAOYSA-N 427.869 1.977 30 10 IDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 762778009 HWPJAYOZRGIGMI-MRXNPFEDSA-N 446.529 1.928 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(C)(C)S(C)(=O)=O 765275370 ORVVJBSFAQEALM-HNNXBMFYSA-N 443.591 1.566 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)cc2OC)c1 771532327 SUZOPQOUZMGCDT-IBGZPJMESA-N 446.481 1.259 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1)c1cc[nH]n1 772120116 ACEBYHKOIYEFCH-HNNXBMFYSA-N 442.476 1.274 30 10 IDEE O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(CCCn2ccnn2)C1=O)NC1CC1 784125375 OVOFCKCANPVEPI-MBOBHEEDSA-N 427.534 1.275 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 787739117 LROAAZPZWTYLFV-JMERFSKESA-N 431.470 1.192 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)n1 788695032 BAMQPFBAVJIORK-UHFFFAOYSA-N 425.894 1.794 30 10 IDEE COc1cc(OC)c2c(c1)C(=O)N(Cc1nnc(-c3ccc(C#N)cc3)o1)S2(=O)=O 790029142 HCFGCIAKBKDCEP-UHFFFAOYSA-N 426.410 1.970 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811457868 ONJFEWYLBVDHTC-RHSMWYFYSA-N 436.534 1.598 30 10 IDEE Cn1cc(CC(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(Cl)n1 815915212 HLNVEEKNCBZHSH-MRXNPFEDSA-N 425.880 1.910 30 10 IDEE C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCSc2ccccc21 853705931 REOZNOOAXHYFMW-CQSZACIVSA-N 445.522 1.907 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cn(CCO)nc3C3CCOCC3)C2=O)cc1 856669713 DOSIRKKZRRORKM-HXUWFJFHSA-N 437.500 1.566 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)NCc2ccccc2)C1 916887761 YLKLPUIDNQODRX-ROUUACIJSA-N 444.513 1.717 30 10 IDEE COc1ccccc1CNC(=O)CSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1084293965 UGOVVXVZYRHWFV-UHFFFAOYSA-N 443.537 1.632 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C#N)c(F)c2)c1 1129733323 HJOSUVAXFCDAGG-UHFFFAOYSA-N 446.504 1.714 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)n[nH]2)c1C 1136743293 NPYLPFINAXUJGI-SFHVURJKSA-N 427.553 1.212 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(O)C2=O)c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1141380115 GSRBAVCFBAFELH-FUHWJXTLSA-N 441.488 1.656 30 10 IDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CN(C)CCN1C 1147353491 XMENOLVENGSZFS-WMZOPIPTSA-N 435.594 1.036 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1152605442 LNASJYLJCYQXIZ-FUHWJXTLSA-N 427.505 1.720 30 10 IDEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)COc1ccc(C#N)c(Br)c1 1155797536 FPJCNNHPQUKACN-UHFFFAOYSA-N 438.303 1.972 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1165508158 MQWNKSDHPOOITL-NRFANRHFSA-N 426.485 1.766 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)C[C@H]1CS(=O)(=O)C2 1176422977 RHBJSDBXGDVFOP-BTYIYWSLSA-N 430.530 1.168 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)cc1 1214687999 VGRBGZDUHRPPOJ-KRWDZBQOSA-N 437.518 1.537 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1256306026 WPXXOCWYURAZHC-FQEVSTJZSA-N 428.514 1.921 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(C)c(C)c2Br)c1 1264809507 JATLULGNUKQTFP-UHFFFAOYSA-N 445.317 1.978 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1286287568 FVMBTQNSXBXKQP-YCRPNKLZSA-N 425.514 1.501 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286376461 CVVROBUZJOPDNE-UHFFFAOYSA-N 432.550 1.997 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286388744 BKCGVYYCSWPSEU-GOSISDBHSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCC1 1286402313 VULPDJIKZMUATG-UHFFFAOYSA-N 425.558 1.906 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286433189 NBMJPDYSERIGOY-GOSISDBHSA-N 438.532 1.847 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1286452668 SFLLOWJKHNRCGE-ZWKOTPCHSA-N 444.605 1.795 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2ccnc2C)CC1 1286474535 LZRXJNMQDJAGDL-UHFFFAOYSA-N 435.532 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)OC)CC1 1286487644 HEROYWMOIFUYJK-INIZCTEOSA-N 441.532 1.963 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CC1 1286662864 AXDNGMUPAYWFIY-SFHVURJKSA-N 435.594 1.985 30 10 IDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286697300 IQDSOSSPNHRWFP-UHFFFAOYSA-N 425.537 1.521 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CS(C)(=O)=O)CC2)C1 1286798269 JDNWOPDMEGKYQO-HNNXBMFYSA-N 425.555 1.022 30 10 IDEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1292275278 JDSFTBDQUYBNPC-QZTJIDSGSA-N 427.505 1.728 30 10 IDEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1297934112 YTVZGFXKXDAYMS-SFHVURJKSA-N 444.561 1.823 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1300363034 BSVBVYKQDHBSSV-IRXDYDNUSA-N 425.555 1.030 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)cc1 1300433016 WBTABNUQSQROOF-UHFFFAOYSA-N 431.500 1.880 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1300631070 KZYOWJNWPVKUQO-JKSUJKDBSA-N 441.623 1.602 30 10 IDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1300633355 GTXSCMHIUBZNSW-VHEBQXMUSA-N 425.518 1.620 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300990106 TUUYZVQWUQHASH-OALUTQOASA-N 433.553 1.592 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1300990121 BKJDVSKWVIBCKM-QGZVFWFLSA-N 431.541 1.206 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(N(C)C)CCSC2)CC1 1301065437 FCBHBZWOLQNOKA-YJBOKZPZSA-N 428.628 1.482 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1301799656 HPTCTEBORYKCRM-UHFFFAOYSA-N 448.329 1.589 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccoc1 1303404802 CFJQUALLOKDNFI-OAHLLOKOSA-N 435.492 1.434 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1316223847 BGQPTRQNTIXANW-ROUUACIJSA-N 435.525 1.461 30 10 IDEE C#CCN(C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1)[C@H]1CCS(=O)(=O)C1 1323406892 CEEGNFIJESNFDD-LZWOXQAQSA-N 426.564 1.407 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1358912891 AHUDKKTXJIAKJV-ROUUACIJSA-N 439.582 1.277 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1358945939 ARSZIHQRABTAJO-UHFFFAOYSA-N 429.484 1.317 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358962319 NUCSBOCOVGGNKJ-QZTJIDSGSA-N 449.577 1.063 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358966177 JEPOMBSWPZVBFQ-XGCWNURASA-N 426.608 1.406 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 1359035605 YMZCWOINKDUXPB-YADHBBJMSA-N 449.603 1.850 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NCC)CC1 1359048265 KEXRNOMDNYGZHH-UHFFFAOYSA-N 435.598 1.414 30 10 IDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359085269 HWCRCKBWRDWJAX-CQSZACIVSA-N 426.340 1.796 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359131655 APLWJICBHKOEGE-KRWDZBQOSA-N 426.525 1.247 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@H]21 1359227571 FKOKYGNIPWBNGJ-KSZLIROESA-N 439.582 1.583 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1359275018 ILFIZANEDCUWPL-GOSISDBHSA-N 441.561 1.592 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359296344 GBEAFRSHPVTRQM-HSZRJFAPSA-N 433.516 1.758 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)[C@H]2CC)cc1 1359308620 UFBLSEILJLNKCP-LJQANCHMSA-N 438.532 1.728 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1ccc2c(c1)OCCO2 1359335889 XXKSGUYSJNZGOE-UHFFFAOYSA-N 430.490 1.794 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359516380 YKQAPNXFTKBLMJ-GVDBMIGSSA-N 436.582 1.509 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1359635435 CTISJVDNVBAUKJ-JOCHJYFZSA-N 425.537 1.092 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1360257375 LQPXSSIPTDWUBU-QJGXAYKQSA-N 447.565 1.273 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1438733735 DBYCJOTZVLYABO-IBGZPJMESA-N 428.514 1.847 30 10 IDEE C=C(C)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OCC 1438909021 QGRQSNNCCVPMLU-QGZVFWFLSA-N 425.507 1.280 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1443721511 DHSMVAYBBMMBIV-UHFFFAOYSA-N 431.511 1.009 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)s1 1449071337 FPLQSNBUUPDKKC-HNNXBMFYSA-N 441.962 1.621 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 1468862940 DOPXGQGTMORHLJ-OAHLLOKOSA-N 445.463 1.933 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] 1468987060 QUMUJESHBZKTCB-OAHLLOKOSA-N 440.460 1.931 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCOC34CN(C(=O)OC(C)(C)C)C4)CC2)o1 1472397518 OECXXQXGYMCXAX-UHFFFAOYSA-N 431.493 1.877 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCC1 1475304433 AAEBUUXRWKMIHF-HNNXBMFYSA-N 434.971 1.445 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1 1475384476 VEPYMGOIRWWOJG-KRWDZBQOSA-N 429.560 1.935 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(C#N)o1 1496709380 VNSKYXCWHIWEKF-UHFFFAOYSA-N 443.508 1.004 30 10 IDEE CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1502237645 CVZMTCSYVFNYCO-CQSZACIVSA-N 443.537 1.056 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1([S@](C)=O)CCC1 1503102659 ASBZQHARERFSJP-HKBQPEDESA-N 443.577 1.709 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H](C)O1 1504714536 PWOBREVWJUHLFO-AYOQOUSVSA-N 438.532 1.972 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(S(C)(=O)=O)CC2)c1 1507552745 SJWCLTIXRYBEHN-UHFFFAOYSA-N 441.557 1.864 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCC(C)C)CC1 1507738541 QZNGXJXTPKGPHJ-SFHVURJKSA-N 430.553 1.258 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507745245 VEAXGAFNKBWRDI-KRWDZBQOSA-N 426.546 1.876 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507909007 OCTSDLRVCJZADC-UHFFFAOYSA-N 448.593 1.482 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1508040099 SQXOHRWSHJHYTF-GCJKJVERSA-N 446.573 1.653 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508094613 PLEPSIJOCCRCDF-OAHLLOKOSA-N 446.939 1.775 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@H]2CCCO2)nnc1[C@]1(OC(C)C)CCOC1 1508096608 BDOUUHKOSAMAQS-HMFYCAOWSA-N 433.553 1.769 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1508136528 SPQMWLHKSCTQJO-KRWDZBQOSA-N 445.611 1.018 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1508150976 SWTIGUKTKFFLMS-QGZVFWFLSA-N 449.602 1.983 30 10 IDEE Cc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)c2ccccc2n1 1510617046 DCGPOTQPZLIGGZ-OAHLLOKOSA-N 441.517 1.080 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1516996022 RDKNFBBDZNTVPR-UHFFFAOYSA-N 435.532 1.886 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2nn(C)c(C)c2C#N)CC1 1529919534 FUSGQDDVUORORI-UHFFFAOYSA-N 445.501 1.426 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1539015281 OSFNVFWWYCZGNW-PKOBYXMFSA-N 431.562 1.702 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N2CCOCC2)CCSC1 1539026709 YUZJIYRYXZODBS-PGRDOPGGSA-N 443.621 1.806 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1539285739 NUGWQFACNPRBOE-UHFFFAOYSA-N 428.500 1.597 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@H]1C 1539296928 WBZSWMYRQXZXAZ-QYZOEREBSA-N 435.594 1.947 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1539627221 IHHWRQFJGDPSIE-GGPKGHCWSA-N 427.553 1.873 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1539631711 MYFWEUMVRZFQMV-SQNIBIBYSA-N 437.566 1.528 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539803144 FKWVNKHXLDJKHP-HUUCEWRRSA-N 429.974 1.626 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1540074426 YPRPQOPGHAJNFH-INIZCTEOSA-N 431.566 1.509 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540900297 QOBDLXMVGWMZOR-FQEVSTJZSA-N 445.589 1.847 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CC1COC(C)(C)OC1 1540900588 ASSHIKHTSDYFCH-UHFFFAOYSA-N 437.566 1.720 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1541665561 GOGLRAAJWURYMG-HNNXBMFYSA-N 425.493 1.520 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1[C@@H]1C[C@H]1CF 1541942907 MLPODHDCTNOBMV-QILLFSRXSA-N 447.540 1.617 30 10 IDEE CC[C@@H](O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)nn1 1542096627 RWZLCYCIQZQAKQ-IHIJCHFRSA-N 448.549 1.894 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3c[nH]c4cccc(C#N)c34)ncnc1-2 1543057966 PBHDTPUNGGALMG-UHFFFAOYSA-N 439.277 1.694 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1544911867 PNDFWHVPWAWOFR-MSOLQXFVSA-N 435.569 1.904 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1545877482 DJBONGRJEJFUJM-IBGZPJMESA-N 440.545 1.463 30 10 IDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)NCCCOC 1548369310 XZSFVYZNGVGZIB-INIZCTEOSA-N 427.427 1.560 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1O 1555940716 NSNRXJRWFYOGBQ-QAPCUYQASA-N 433.534 1.085 30 10 IDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCS(=O)(=O)C1 1556197949 POVUQKAPZBVVHS-ZZPBVIFJSA-N 425.551 1.666 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 1556817364 UTJLMWVGWHVPAF-CTNGQTDRSA-N 431.489 1.819 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(c3nc[nH]n3)CC2)cc1 1559954779 DXYRBZAVXAIEBT-UHFFFAOYSA-N 434.504 1.853 30 10 IDEE C#CCN(C(=O)c1cnn(C[C@H](O)CO)c1)[C@H]1CCOc2ccc(Br)cc21 1565764036 AEJUFZYDLZPAOF-RDJZCZTQSA-N 434.290 1.598 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 1585304935 DTTQYQRNQZIQET-UHFFFAOYSA-N 430.438 1.963 30 10 IDEE C#C[C@H](NC(=O)c1cc(I)ccc1-n1cnnn1)C1CCOCC1 1586731019 ZLHCSHUZUUHOKV-AWEZNQCLSA-N 437.241 1.425 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1587562820 UDBSTRVZSPCGTR-ZIAGYGMSSA-N 428.559 1.213 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)CC)CC1 1588891522 PSXCEYLRJPNHSM-YADHBBJMSA-N 433.553 1.057 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1594237890 YGIBFFULFYJFKS-HZPDHXFCSA-N 428.580 1.017 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1595496611 BFTMXCZIQKZXDS-CYBMUJFWSA-N 433.310 1.321 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1613311806 URDMSVPUCPFMJS-TUPYQCFKSA-N 429.525 1.375 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1620356790 IUAVNNDPGWYSKR-MOPGFXCFSA-N 431.468 1.921 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1621797283 ARAKCUIDUMOJKT-VIFPVBQESA-N 427.317 1.904 30 10 IDEE N#Cc1c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2n1CCOC2 1627627821 BGRLGADLMUOMAT-UHFFFAOYSA-N 429.502 1.641 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c(C)nc3cc(O)nn3c2C)s1 1628928540 MCZQUVZPRFRMMU-UHFFFAOYSA-N 435.531 1.436 30 10 IDEE C[C@H](CC(=O)NCc1ccc(-c2nncnn2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1631905813 ZMKJPYOFOXZXRQ-CYBMUJFWSA-N 437.485 1.067 30 10 IDEE C#CC1(O)CCN(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1632231121 GXICEYGPIDJGAE-UHFFFAOYSA-N 425.576 1.635 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1635361299 GWPYMUGJOHFSQE-PXNSSMCTSA-N 426.542 1.721 30 10 IDEE C#C[C@@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)c1ccc(Br)cc1 1637663169 OGIPDGKLFQRUCH-OAHLLOKOSA-N 444.351 1.074 30 10 IDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 1639825374 ULQVNNIJPUPTLV-HNNXBMFYSA-N 439.476 1.564 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1641970190 BAEVICCUYGRKRR-HNNXBMFYSA-N 431.493 1.364 30 10 IDEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653072374 BCRLBIVYLWICLG-CWFSZBLJSA-N 427.567 1.960 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 1664544069 IXUQOANTFAJVRI-UHFFFAOYSA-N 426.560 1.318 30 10 IDEE CC(C)[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cnn(C)c1 1685503069 HFTOKGFBGBUUMO-LJQANCHMSA-N 430.534 1.705 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CCS2 1685588857 AVPBYJKJSWKWPN-ZGOJQLDESA-N 446.577 1.649 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1690056251 LEYXOGTUCXOXRP-UHFFFAOYSA-N 440.523 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C/C=C\CC)CC1 1690139947 GCVOVQRSUDRCJN-WAYWQWQTSA-N 445.531 1.853 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690496426 QGJFISFQZHLVGS-ROUUACIJSA-N 448.568 1.142 30 10 IDEE C=CCN(CC=C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1690601020 NXBWHTVYXSAVPU-FQEVSTJZSA-N 436.509 1.724 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690659186 MHUKODPXTSWVRC-GXTWGEPZSA-N 446.474 1.655 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)C1 1690661187 WMSJUKFSGMJEAZ-RDJZCZTQSA-N 432.550 1.184 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Cn2cccn2)CC1 1690731156 BGPDJLZRCODGJT-GOSISDBHSA-N 434.566 1.844 30 10 IDEE Cc1nnc(N2CCO[C@H](COc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693511128 GMGLBACRGBETCY-MKSIGINJSA-N 438.488 1.397 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 1705561135 NPTBFRAXRMSEAO-OAHLLOKOSA-N 443.451 1.598 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1705565371 HCKIGHZQHOXWBH-INIZCTEOSA-N 443.558 1.369 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NC(C)(C)C)CC1 1705647327 FHTVNLXTPWUWEI-UHFFFAOYSA-N 438.536 1.006 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705824890 CWKIWSNMUKBDCG-IBGZPJMESA-N 443.552 1.901 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1=O 1711271017 QQUAQUZPCFYLJH-HXUWFJFHSA-N 430.534 1.166 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1712381320 RCTGVQPJGKFBKV-UHFFFAOYSA-N 435.536 1.705 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1722390796 UZDCXUCKFBMWRR-IEBWSBKVSA-N 440.573 1.866 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cn(CCCC)nc2C)CC1 1722429763 RWQCQIVSWSVQHA-UHFFFAOYSA-N 438.580 1.623 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ncccc2F)CC1 1722433210 PMBWWGWTXPSAFT-JOCHJYFZSA-N 444.511 1.299 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1722574965 UNYUYNDNLYOFEJ-RIFZZMRRSA-N 439.582 1.629 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1722679812 MPWBSQWDMLHNBF-UHFFFAOYSA-N 448.531 1.921 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 1722693446 OCLDKJJUIUNUEZ-UHFFFAOYSA-N 443.533 1.021 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722699235 SRNXEAMKTWYCFB-SFHVURJKSA-N 430.553 1.313 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722737942 WUHZWVJRSSHGEI-OAHLLOKOSA-N 425.584 1.116 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728365821 GHDWNEFYSGFXLB-HNNXBMFYSA-N 435.536 1.944 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(C)(C)O 1730872547 XVUHPYKYSVQJDI-KRWDZBQOSA-N 443.552 1.756 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(N)=O)C1 1740743027 JICLLIOETLRNJL-QGZVFWFLSA-N 437.298 1.616 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1740773841 FHXJYXHWAQYAAT-GOSISDBHSA-N 439.626 1.818 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740793303 QZCGUCJZPGCINN-GOSISDBHSA-N 442.495 1.814 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(C)=O)C1 1740955494 WHMAKIJNQWDYQN-INIZCTEOSA-N 426.477 1.081 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1 1740959762 DPYBDUFLKLJIAV-HNNXBMFYSA-N 433.509 1.184 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCCCCCO 1743239872 WEJKNRLHOVJAOR-ZWKOTPCHSA-N 440.552 1.711 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC 1748647662 RHMFZIPPAJDKES-GFCCVEGCSA-N 428.356 1.939 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CC1 1748914331 JATJMRITWJVHHD-UHFFFAOYSA-N 436.559 1.385 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)NCC)c2)CC1 1748987633 YSTJWVOEZYOIHZ-UHFFFAOYSA-N 430.516 1.288 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCOC[C@H]2OC)CC1 1748993460 YOWRCQHVIRAWCT-TZIWHRDSSA-N 427.524 1.815 30 10 IDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749105563 KMJLBZVLNRGICH-HUUCEWRRSA-N 436.310 1.533 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COC)CC1 1749377239 PBEAKZIZLHOBHT-HKUYNNGSSA-N 435.569 1.899 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749651135 OFEYLCIULZMOSQ-GDBMZVCRSA-N 443.483 1.073 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(C(C)=O)CC1 1749655092 CQJPGDFQQGVRQH-UHFFFAOYSA-N 448.531 1.696 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1751038624 NKQHBJLHZYKXKF-OSCRUYLVSA-N 430.509 1.312 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760155306 VDPAEZICUCUVNI-SJORKVTESA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760185076 OWHXCVPEVQCGLR-IBGZPJMESA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1760185578 ZSYRBLSHTMHDMQ-UULLZXFKSA-N 434.587 1.649 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191420 GZTZGVHHDHCTIE-OKZBNKHCSA-N 433.578 1.463 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1760232859 MXCFFHJMPNCYIX-UHFFFAOYSA-N 437.573 1.700 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCCOC)cc2)CC1 1760251668 GEITVWGAMJTCSC-UHFFFAOYSA-N 440.548 1.245 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1760322537 UDCQNQLCJKAZCD-FHWLQOOXSA-N 448.593 1.921 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760338324 PVRNICJVQKCUSM-IBGZPJMESA-N 440.548 1.838 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1760460863 FMJYCCBQZMDINZ-QHCPKHFHSA-N 437.548 1.925 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1760528390 AZBVDHWXFFBXKD-YLJYHZDGSA-N 446.596 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760555520 HIWKVTYMHLYFSW-UHFFFAOYSA-N 449.556 1.792 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1760655056 BOBHNJCNMZRTTN-PZJWPPBQSA-N 438.532 1.975 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1763105096 IWQNKAQQVZZKFY-RMYFCYLKSA-N 425.493 1.803 30 10 IDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1770876207 NAWZMCPNBHRCQW-UHFFFAOYSA-N 437.460 1.888 30 10 IDEE N#C[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(F)F)CCO1 1771537562 QICFKFALIPWNQR-INIZCTEOSA-N 448.478 1.810 30 10 IDEE C=CCN1C[C@H](C(=O)NCCn2ncc3c(=O)n(Cc4ccc(C)cc4)cnc32)CC1=O 1850136410 IDVVZLIBXXYGOG-GOSISDBHSA-N 434.500 1.100 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 1852154959 DLUMDIZNIBYMEC-UHFFFAOYSA-N 432.546 1.710 30 10 IDEE N#C[C@H]1CC12CCN(C(=O)[C@H](Cc1c[nH]c3ccccc13)N1CCS(=O)(=O)CC1)CC2 1852729452 GWOKXTMNBIULJX-NQIIRXRSSA-N 440.569 1.962 30 10 IDEE CN(C[C@@H]1COCCO1)C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1853053905 GWWSTLQSOLRYRU-TZIWHRDSSA-N 443.525 1.322 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1Cl 1853783521 HNLLJYGOHJRBLL-UHFFFAOYSA-N 447.900 1.822 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2N(C(=O)CN(C)C)C1=O 1854823344 LTHGTDNEAFGMEH-OAHLLOKOSA-N 426.498 1.824 30 10 IDEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN(CCO)CCO)cc1=O 1870387754 RMYVILOUNDJVSQ-OAQYLSRUSA-N 431.533 1.208 30 10 IDEE C=CCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCN(CCO)CC1 1870684129 NARSFHPWYZEQKX-UHFFFAOYSA-N 428.489 1.631 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600913 XQQIQQASQWDWBY-UHFFFAOYSA-N 425.464 1.326 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCc4c(ncn4C)C3)CC2)CC1 1889281575 NQSGGRLZEUMKGZ-FQEVSTJZSA-N 427.593 1.174 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCO)s1 2108229212 DJHHENUEJQTUMP-SFHVURJKSA-N 437.474 1.253 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2136167157 UIRUESZPWXJEMB-IHRRRGAJSA-N 426.267 1.600 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2249538466 SUQGLEKBVGUCPA-HDJSIYSDSA-N 428.335 1.223 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2255632420 MSZSCZMXEMVKPZ-NSHDSACASA-N 430.236 1.382 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255848074 WCHPSSIYLMOEFP-ZIAGYGMSSA-N 436.314 1.536 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)n1 2267183826 ISAIHKBQFKYFQM-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267267584 XXLFHTIHICDAQA-BMFZPTHFSA-N 444.341 1.904 30 10 IDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267280428 PBDSOGGFPDJGDD-HALDLXJZSA-N 444.341 1.713 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CCCNC(=O)OC(C)(C)C)C1 2267604422 GJRYZCPHZRBQNO-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@](C)(O)CCO)cc2Cl)OC1(C)C 2282828879 WNCUPULGQLGTTP-HNNXBMFYSA-N 425.765 1.112 30 10 IDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCCO)cc(Br)c1O 2330794909 UPKFILYBBIFJBQ-UHFFFAOYSA-N 444.311 1.358 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2337197405 WQUUKGIENLKZSX-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE COc1[nH]c(=N[C@H]2COCC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786630 OJYSQWWUHQJVKR-CVEARBPZSA-N 449.357 1.905 30 10 IDEE C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCC(N)=O)c(OCC)c1)CC(=O)N2 21784635 OBDMUZFPMKWFKX-LBPRGKRZSA-N 428.470 1.232 30 10 IDEE Cn1nc(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ccccc2c1=O 33022248 KSFVOSDKQLDUDI-UHFFFAOYSA-N 441.495 1.865 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)CC1 36626390 SUHLBYRLMAQRQX-GOSISDBHSA-N 441.557 1.939 30 10 IDEE CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(C#N)cc1)C1CCCCC1 38399668 OBOJZPLHHDGCCL-RBBKRZOGSA-N 440.544 1.877 30 10 IDEE in-vitro CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105279378 XVMWSUDLKGNXEB-UHFFFAOYSA-N 441.513 1.173 30 10 IDEE CNC(=O)COc1cccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 435361671 FBQRQUGXPATFSF-IBGZPJMESA-N 438.509 1.766 30 10 IDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460186532 CLYOOLPIGWFBAB-UHFFFAOYSA-N 433.520 1.931 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2scc(C)c2I)CC1 468536642 NCBGHPSEOIXJRF-UHFFFAOYSA-N 433.315 1.721 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@H]3CCCO3)c2=O)nc1 474359937 VXEFPUZLDKUONF-QGZVFWFLSA-N 447.520 1.329 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)n1 479382998 ULLMCZATVCKTOL-UHFFFAOYSA-N 445.504 1.202 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 489234152 IDWPPDWAWNZQQF-NRFANRHFSA-N 448.523 1.851 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c4cccnc4nn3c2C)CC1 505916930 LMMLNYSCBZCTGM-UHFFFAOYSA-N 435.532 1.273 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 506242293 RURJZZPHNOYDLZ-SFHVURJKSA-N 427.486 1.783 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)Nc3ccccn3)cc21 526896161 HRMQGQVIIMCPCA-ILHIWHGASA-N 427.482 1.952 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCCC2)CC1 542301124 NSXNJMBNRXCLBA-UHFFFAOYSA-N 428.489 1.383 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 570829506 LFYHUCIQZTVLSU-LJQANCHMSA-N 435.532 1.277 30 10 IDEE CSc1nc(O)c(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1C#N 609564940 QQPPAMDGZYBITP-UHFFFAOYSA-N 448.530 1.110 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610984584 FAWBBZHBSIRTNN-RWQQGDIJSA-N 441.488 1.057 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cocn2)C1=O 730724365 OXCJXQVGJOKROW-LRWZUSMTSA-N 430.534 1.180 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732650735 DBCPVWDPEWLOGF-GOSISDBHSA-N 432.546 1.295 30 10 IDEE N#C[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCN1C1CC1 735584786 ZDLQXNNHWBKLEK-FQEVSTJZSA-N 431.562 1.363 30 10 IDEE CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2C1 737305244 FZNOTRWHWRNPLB-WGLILOHCSA-N 439.516 1.628 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 741140877 WQLALZOXFOBGCK-GUYCJALGSA-N 433.452 1.810 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1 743960623 YUGHVACEJKMWMX-UHFFFAOYSA-N 437.472 1.148 30 10 IDEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 744008060 SLFZJDAIGOHDAF-UHFFFAOYSA-N 433.511 1.666 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2ccc(C#N)cc2)[C@H](C)O)cc1C 748217902 SXOGAHYIADAZCF-YWZLYKJASA-N 430.482 1.629 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H]1COC[C@H]1C(=O)O 757472114 UQOVWQMDYOYRCQ-NHCUHLMSSA-N 434.448 1.744 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 784124673 KHSNHMZJUOECDE-SFHVURJKSA-N 434.537 1.783 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 788576845 LOSSLHTZEUCWDS-KRWDZBQOSA-N 446.504 1.474 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)ccc2OC)N(CCc2nnnn2C)C1=O 792757963 PVLHSULOKPXJCM-ZDUSSCGKSA-N 437.913 1.182 30 10 IDEE CCn1nccc1CN(CCO)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 794054009 JYZPAYNWNYZWAC-SFHVURJKSA-N 447.561 1.377 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCCN(C)C(=O)c2ccncc2)c1 1125419184 RHLOCMDBLCDOOY-UHFFFAOYSA-N 448.523 1.807 30 10 IDEE CN1C[C@@H](C(=O)N(C)CCOCc2ccc(C#N)cc2)N(C(=O)OC(C)(C)C)CC1=O 1129393225 GLWIYNGISFREJS-SFHVURJKSA-N 430.505 1.611 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 1144758708 LOAOGSKRPNJDKO-INIZCTEOSA-N 426.336 1.593 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)nn1 1212242018 RUMJSOFKOVHJEL-UHFFFAOYSA-N 448.332 1.716 30 10 IDEE C=CCn1cc2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)cc2n1 1220160561 VWRKMWAKKLQMKQ-CZDRUDQFSA-N 431.518 1.555 30 10 IDEE C#CCN(C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1225172038 VHTAWDVDTATZHX-MSOLQXFVSA-N 436.553 1.667 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)NCC=C)c1 1286310640 FLCMGROQKDQYDX-UHFFFAOYSA-N 443.511 1.622 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286323702 LXSRBWCHSPLBKX-IAGOWNOFSA-N 437.566 1.699 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286356264 MZDPVCAUANVAEH-UHFFFAOYSA-N 433.582 1.319 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCOC1 1286407283 GXXCLARLGVMHTH-QGZVFWFLSA-N 425.489 1.522 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286413250 TXLVIZWHXVLMBH-FQEVSTJZSA-N 438.601 1.946 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1286413848 OILIDRZWPIQNLE-VQTJNVASSA-N 435.532 1.065 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([S@](C)=O)CC2)CC1 1286493147 LSKVJBIUFHALJT-ZQHDKMAOSA-N 433.578 1.049 30 10 IDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1286608236 OKAOAHKWXUEWOF-GOSISDBHSA-N 434.518 1.618 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286619967 XVBJAYCECRBMJS-UHFFFAOYSA-N 442.907 1.999 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](OC)C1 1286779419 IMTLNFWKBMHKLW-HNNXBMFYSA-N 431.493 1.498 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825521 RSJHNHIOKLWNMY-QFBILLFUSA-N 444.623 1.861 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C1 1286858223 FICWVXIHOVNUOH-NVXWUHKLSA-N 429.912 1.981 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCS(=O)(=O)CC2)CCOC1 1286962104 VEMDUMBYKGTNFS-JXFKEZNVSA-N 439.582 1.739 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1299243708 POMPFXYOEBLWJB-UHFFFAOYSA-N 431.504 1.378 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C#N)CC1 1299295511 DQUBKBOGXCUXTF-CQSZACIVSA-N 436.513 1.846 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1300487110 GHTLHPXJGSOILE-INIZCTEOSA-N 445.545 1.107 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1300499582 VIRUIJFUVYHDNT-GHTZIAJQSA-N 429.546 1.460 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300499601 VMSZCPPPDVDKGX-QZTJIDSGSA-N 448.520 1.050 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1300701355 PNRDEFKITBAPMM-PZJWPPBQSA-N 427.524 1.815 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(CC)C2CC2)CC1 1300707310 DLJBYBSYDSMGMU-UHFFFAOYSA-N 441.605 1.509 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2c(CC)nn(C)c2OC)CC1 1300722482 KFLDIQJBFDFQAC-UHFFFAOYSA-N 439.564 1.864 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCOC1 1300876658 UWRNSBQMJHXDKU-NXOAAHMSSA-N 427.571 1.342 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1300948826 CBCPYAYBRISXMH-SFHVURJKSA-N 444.561 1.706 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1)c1ccccc1 1301002901 ADALIPWXVAPEIZ-AEFFLSMTSA-N 444.561 1.413 30 10 IDEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1301215166 RBMFIMAGXMDOSG-UHFFFAOYSA-N 431.522 1.879 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1 1301475048 KWKGKXGGNIJBKP-UHFFFAOYSA-N 428.459 1.985 30 10 IDEE C[S@](=N)(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1303355002 UTQKMVWXJCMOII-SSEXGKCCSA-N 432.506 1.758 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1303635172 BBNWBKDHBZPXKB-GFCCVEGCSA-N 444.446 1.312 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC1CC1 1303861615 HBRJFAKPCJMXKU-INIZCTEOSA-N 443.577 1.887 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1305753891 ATTQTWCYPPJKRZ-NRFANRHFSA-N 435.548 1.749 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1313721346 YZERVRWOXACETK-SFHVURJKSA-N 439.564 1.842 30 10 IDEE COC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1315801571 AGWFKTWGPKDUKW-SJORKVTESA-N 428.541 1.515 30 10 IDEE CN(C(=O)c1ccncc1)c1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1318993015 DMBHMCRIFXVBKH-QURGRASLSA-N 433.468 1.891 30 10 IDEE C=CCn1cnnc1S(=O)(=O)[C@H](C)C(=O)Nc1cccc(I)c1 1319041933 PMIAKUMTUQIHGB-SNVBAGLBSA-N 446.270 1.870 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1358885901 TYOWCURVFMYEOD-MWTRTKDXSA-N 436.516 1.938 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1358937479 XLIHXTXKFYYHCA-OAQYLSRUSA-N 441.561 1.203 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358963559 KEEQESYKPSFOLD-IEBWSBKVSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358965371 TXKYOMLSGPWCGG-WIYYLYMNSA-N 429.546 1.052 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358995935 LUDOHENKJULWDT-IBGZPJMESA-N 426.546 1.008 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1359008942 DPSMFNGSUIVVQQ-SFHVURJKSA-N 432.546 1.713 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1359010592 UNNBWEOJUZWECO-HNNXBMFYSA-N 425.555 1.507 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359096773 GRPAIEMVRLCIFJ-DIJFTKHXSA-N 441.532 1.990 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1359291175 HJZLGPNITQXPMC-UHFFFAOYSA-N 449.556 1.212 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1359308275 JHLQQJUKHWXJGB-PKOBYXMFSA-N 443.529 1.522 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCCC2=O)C1 1359321072 ZQFQNFDDGLPVNG-MSOLQXFVSA-N 430.553 1.803 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359336316 MBAXSWASCDSNBX-KRWDZBQOSA-N 449.625 1.918 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1Cc1ccc(C#N)o1 1360697669 CRESUTVDDSBESK-XKQJLSEDSA-N 434.522 1.549 30 10 IDEE CN1C[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1438206931 PKKAWOJTJQRCDG-LJQANCHMSA-N 441.532 1.721 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1470729887 OHFSVTABTQTCOZ-GOSISDBHSA-N 434.562 1.344 30 10 IDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1471822010 CVMMKTLQGBCYMS-UHFFFAOYSA-N 433.324 1.137 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3cnc(OC)c(C#N)c3)CC2)cc1 1477077100 AXFPSNIQDAJFDA-UHFFFAOYSA-N 445.501 1.899 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1479061067 GHHUFAJEVGPBGU-OAHLLOKOSA-N 438.506 1.258 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)N(C)C 1495722129 GKGDRYPRLPWMRY-HNNXBMFYSA-N 427.557 1.510 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C#N)CC1 1503833069 CDCGEKIOPLBTNM-UHFFFAOYSA-N 425.518 1.782 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1O 1504262543 BCMQOPWRMMHBRV-KZULUSFZSA-N 438.485 1.093 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1507634586 ZOECXINJGOTASK-MSOLQXFVSA-N 438.594 1.862 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507732161 TVMBTPCWCIEWBC-NHCUHLMSSA-N 429.613 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)NC(C)C)CC1 1507734813 ZBJLMPASXFVOSL-UHFFFAOYSA-N 426.521 1.727 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1508085483 HXDBJNAHIZTOLG-AOMKIAJQSA-N 429.496 1.694 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1508161614 MOYGUGBWWZDAPL-HNNXBMFYSA-N 427.596 1.062 30 10 IDEE CC(C)OCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1509875961 KSFLCBGPQJWGNB-ZWKOTPCHSA-N 440.552 1.974 30 10 IDEE Cc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1511775072 GWDRESIEOZAXKJ-LRBUJCNVSA-N 428.518 1.487 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCn2ccnc21 1513408012 GMXGYDGGUJEJNY-WBVHZDCISA-N 426.525 1.699 30 10 IDEE CS(=O)(=O)CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1519523845 LHETXHBPLJODHU-SFHVURJKSA-N 426.518 1.057 30 10 IDEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1530829605 GVWDDNXAXDAQAE-MRXNPFEDSA-N 442.497 1.475 30 10 IDEE C#CCC1(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CCOCC1 1538244462 XXOHGMPUQIPQPL-IBGZPJMESA-N 448.317 1.905 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1539003389 NWWUKZKXNYIODO-AWEZNQCLSA-N 432.488 1.974 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)C(C)(C)C 1539175226 SMJQDPQLYGEFMK-UHFFFAOYSA-N 428.518 1.877 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1539212645 WTAXNXAFPKMBHH-MRXNPFEDSA-N 442.570 1.974 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOCC)CCC2)CC1 1539459677 MUPUGHMPVSUGSF-UHFFFAOYSA-N 428.581 1.753 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](CC)C1 1539614550 AHBVDKJOFNXLDU-AVEIZBFRSA-N 441.598 1.873 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1539729557 KGWFKFWPHAAPAJ-HLLBOEOZSA-N 427.571 1.485 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540154504 YWLYOPAAUCORLM-IBGZPJMESA-N 433.490 1.581 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1540908919 RKLOFBOWZYIKNU-MRXNPFEDSA-N 449.581 1.337 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1541109473 GSULMWKOXQUGCD-GFCCVEGCSA-N 438.410 1.991 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc2cccc(Cl)c2n1C 1541678676 GUYMAGQEVFEFLP-CYBMUJFWSA-N 442.911 1.733 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F 1556317938 RWYSIFXANZKWBA-RRFJBIMHSA-N 439.484 1.562 30 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10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C(C)C)C1 1595672957 DOBPWJHRJPSJHU-MRXNPFEDSA-N 427.509 1.479 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1595784065 BDFCBJYHOIKFDG-MRXNPFEDSA-N 427.534 1.668 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595797846 JSSWQJVHROXZBJ-ZIAGYGMSSA-N 438.472 1.888 30 10 IDEE COC(=O)C1(C2(O)CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)CCC1 1607272227 NPMYNXXSMGASKG-UHFFFAOYSA-N 430.505 1.768 30 10 IDEE CO[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1618975049 BVAPGITWAOOSIE-FUHWJXTLSA-N 433.534 1.748 30 10 IDEE COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1619856610 UABGREPTZCWUIB-UHFFFAOYSA-N 440.548 1.957 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1620041367 GMHDOEAQEABXRK-MGPUTAFESA-N 429.456 1.140 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N(CC#N)C1CCCC1 1629510494 PGWPOLKKSWRLRV-USXIJHARSA-N 425.551 1.951 30 10 IDEE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1631612144 IYBDQQWJRYTHSC-LJQANCHMSA-N 425.489 1.484 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c1 1634051632 YHWLCDZGBXBFAH-UHFFFAOYSA-N 430.461 1.184 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634188056 MMFXBZDRFSAOCM-SJLPKXTDSA-N 433.534 1.024 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 1634606669 FJERXWWLLRXSPR-INIZCTEOSA-N 426.539 1.193 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)CCn3cc(C#N)c(O)nc3=O)C(C)(C)[C@@H]21 1634836973 GUJJWDMXERVQJK-DJIMGWMZSA-N 445.520 1.751 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCC(=O)c2ccc(I)cc2)CC1 1635737386 MQSXZQIGZFGADG-UHFFFAOYSA-N 439.253 1.839 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1640460251 WVYUZSYZLIEGSJ-UHFFFAOYSA-N 441.488 1.411 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1 1643415491 CFEYQNSWRIWZAP-NRFANRHFSA-N 439.537 1.997 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 1644285542 RCLDHTAIIMENBN-UHFFFAOYSA-N 426.336 1.093 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1644579932 DVULMWMUWKBJNB-KDOFPFPSSA-N 430.486 1.383 30 10 IDEE Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)c1 1648787766 XAEKAXXYMVJDGC-MRXNPFEDSA-N 435.484 1.373 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 1671509772 CRYOZGKUTJWHHN-UHFFFAOYSA-N 446.533 1.686 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1)C1CCOCC1 1677150496 NBXSPHGLZGYLRP-MRXNPFEDSA-N 425.507 1.170 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1679944338 LIVMAGJYTAWCFC-CABCVRRESA-N 433.513 1.652 30 10 IDEE C#CC[C@@H](COC)NC(=O)NC[C@@H](O)COc1ccc(I)cc1 1683130370 KEIWLPZUOWNYEW-UONOGXRCSA-N 432.258 1.368 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1689893534 ZRGWNVRQVNAYFM-OAHLLOKOSA-N 431.509 1.650 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690184573 LBPSHNKFXRMCPR-INIZCTEOSA-N 444.536 1.919 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690212924 WPPHEZXLOJRVEG-YADHBBJMSA-N 444.557 1.707 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1690245680 LPGNRYDNCJASMQ-LNLFQRSKSA-N 448.593 1.840 30 10 IDEE C=CCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690652555 QRYBYBQHMVLGTC-IBGZPJMESA-N 427.571 1.365 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1690678285 QPYKMOZACVHORW-XXBNENTESA-N 441.532 1.810 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1690786238 IBRBPCSMPDJMKL-GOSISDBHSA-N 434.508 1.198 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1695931378 HFBUXANPIIMGOP-MAUKXSAKSA-N 444.561 1.717 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@](C)(C#N)C1 1696622885 FKLGKZNRHNLCCJ-LJQANCHMSA-N 447.521 1.875 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1696890811 GDHLNEIUYKSSIG-OAQYLSRUSA-N 428.468 1.930 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)C1CC1 1698152152 IAJSPOWQSYKESB-PEBXRYMYSA-N 442.520 1.698 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705600557 CQSOJOBUJGQAHT-XXBNENTESA-N 425.533 1.592 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1705639207 ITYLLJSGYKAXOK-XLIONFOSSA-N 443.573 1.037 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705747098 FDFVCQUBOFSFLO-ACJLOTCBSA-N 443.932 1.878 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1705843296 BOJOJLAYSHFRMG-INIZCTEOSA-N 431.518 1.807 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705894746 JRZXKCHASRFBEI-INIZCTEOSA-N 442.568 1.474 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1706074082 VHFQPBIUYGSNGO-ZFWWWQNUSA-N 439.476 1.300 30 10 IDEE CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709645654 IAHIIVVLBWMSDU-AXHJYSETSA-N 443.552 1.634 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1712710091 WKZMAYZXGKQVOP-UHFFFAOYSA-N 430.534 1.107 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)C1 1712875787 HUHXCDLYOJBQRF-AUUYWEPGSA-N 437.472 1.840 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1712886091 IFGPPNWZVJXCJV-KRWDZBQOSA-N 434.566 1.469 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCCOC 1722284859 QFBZDDUSRTVVOI-INIZCTEOSA-N 435.488 1.852 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722362115 SHNZESUVKUZKKI-MSOLQXFVSA-N 430.578 1.632 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722549846 AQTJVPXUCQXSSU-MRXNPFEDSA-N 430.896 1.650 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3n2)CC1 1722560277 UPLBNCFSKZSRND-INIZCTEOSA-N 429.550 1.935 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722697417 JOOWEBDJVQKUQZ-NRFANRHFSA-N 449.559 1.441 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1722745713 DEODCOCYNNHSRF-QHCPKHFHSA-N 437.548 1.330 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1)S(C)(=O)=O 1722876746 WKVGAWIVENNOSP-JKIFEVAISA-N 430.534 1.353 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCOc2ccccc2)n1Cc1ccc(C#N)o1 1723966753 PQXDWKQVIFRJNM-OAHLLOKOSA-N 444.517 1.916 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1728760410 FMVLLEBYIRPSNK-OXQOHEQNSA-N 439.582 1.883 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCOC1 1729369425 JEYABUINYULEFW-KRWDZBQOSA-N 445.545 1.921 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740576436 XGKZEQYKOIOKTE-RBUKOAKNSA-N 435.594 1.980 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1740615455 FCTSSFZBNVCJOE-IXDOHACOSA-N 437.541 1.279 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1740615696 JFPOXWXJOUVDFH-KRWDZBQOSA-N 442.545 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1740646949 MDDNISXHTOKNLK-JPYJTQIMSA-N 427.549 1.696 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(=O)NC)CC1 1740953856 SWJRXSIFYQHYSS-UHFFFAOYSA-N 441.492 1.508 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CCC)C2)C1 1740982642 VOHISSMRGRJQKW-GUDVDZBRSA-N 437.610 1.693 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1741006186 ZXSWIRSFJQIHQW-GJZGRUSLSA-N 446.602 1.904 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743687046 IGXRBNLNABYFOK-MBNPTUNVSA-N 429.525 1.280 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1748731457 DDUAJRNWIDTLGZ-INIZCTEOSA-N 434.541 1.767 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1748946818 RLLZQQPGGHTEHS-HSZRJFAPSA-N 441.507 1.985 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](OC)c2ccccc2)CC1 1748972968 TVAIUXCJOPEXJG-PKOBYXMFSA-N 446.577 1.031 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCOCC1 1749118317 FJJDEDSZNHVOGM-NXHRZFHOSA-N 441.598 1.732 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1749237453 NXLQFSKKDCKCBM-IIMDRIAPSA-N 435.525 1.099 30 10 IDEE COC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1749565326 GTSIDLSZDYCRTR-AMGRQBIBSA-N 432.525 1.245 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749676711 AMFBCHDYLGOCQS-SFHVURJKSA-N 449.559 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1749721247 FAFZZXMUROAICC-NVXWUHKLSA-N 437.566 1.119 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1760116392 GYGVNYMMMBVPIK-CZUORRHYSA-N 438.579 1.077 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760168310 XCBGFLXCDOAAOJ-HNNXBMFYSA-N 433.534 1.313 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1760210001 LLXYCSFLNGDURP-RBUKOAKNSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCOC 1760213110 PUOZYGBDKHJXCD-JOCHJYFZSA-N 444.557 1.599 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)OC)c1 1760250839 MUJLEDXXATWYSH-UHFFFAOYSA-N 440.504 1.713 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1760253193 BXITUBMAZDZLTR-UZGSZPBKSA-N 444.624 1.817 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760258819 SZNNAVXFGKIDJC-LSDHQDQOSA-N 431.500 1.227 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCS1(=O)=O 1760298919 ACGLMVIETSGJPU-TWFHAPMSSA-N 436.578 1.962 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1760352642 UNPUVFCHLHNZJX-BBWFWOEESA-N 427.571 1.629 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1760433507 HGTNSKHCESUTEU-KRWDZBQOSA-N 430.534 1.890 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760513395 BMPAOMOUXRBRJQ-INIZCTEOSA-N 443.533 1.222 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2nccs2)C1 1760515235 SURJITJFTLSSOL-HNNXBMFYSA-N 447.565 1.533 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)NCC)CC1 1760526674 RKXSQDSWVKOXKQ-UHFFFAOYSA-N 441.536 1.319 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3ccnc32)C1 1760534918 IURUXDJDSAPTNY-YESZJQIVSA-N 449.581 1.444 30 10 IDEE CCN(C)C(=O)Cn1c(C(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1764674366 AILHVOBDVVVQKC-UHFFFAOYSA-N 426.525 1.943 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1766715947 ZROWUNYWFQLJIW-NRFANRHFSA-N 444.561 1.763 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C#N 1766719486 WAVLRZBHGSQFKF-QAPCUYQASA-N 448.549 1.716 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCCC2(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1770020822 QSJHWEXLZWBMNQ-QFPXGYFVSA-N 432.525 1.907 30 10 IDEE COCCOC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1771256346 DLTGGZLRAWFFGV-OAHLLOKOSA-N 449.533 1.325 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1771356311 FQMLTSFZOMCCHT-KRWDZBQOSA-N 428.518 1.062 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CCn2cncn2)CCO1 1771536893 DMSWHOVSYSNIRL-ZDUSSCGKSA-N 429.282 1.728 30 10 IDEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ncccc4C#N)CC3)cn2)cc1 1849455374 YQVLIKYNOCJVIO-UHFFFAOYSA-N 430.468 1.534 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)CC1 1850574479 FSJSQNNPLAJEMS-UHFFFAOYSA-N 431.500 1.380 30 10 IDEE C=CCN(C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1)[C@@H]1CCN(C)C1=O 1850771426 AHXQWUWULAFWES-HXUWFJFHSA-N 427.549 1.242 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2CCOC[C@@H]2C)cc1 1852540517 QKOUTVDTWIJEKK-KKSFZXQISA-N 443.525 1.704 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2=O)CC1=O 1853824305 BXNVELUILHQCPK-CQSZACIVSA-N 439.921 1.042 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3c(F)cccc3Cl)C2)CC1 1857041950 OWENNUDSUZRGAJ-AWEZNQCLSA-N 441.912 1.962 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCS(C)(=O)=O 1868887609 XKJDVRKEBWGLHJ-LJQANCHMSA-N 436.530 1.275 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2010395357 IQKFSWCDJMLRSY-CQSZACIVSA-N 425.335 1.712 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065454767 HFCHUQFLDPHXNF-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2136173226 QKKJNUOIIABSMV-MJBXVCDLSA-N 426.267 1.600 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2184061590 KMALWUOFDFAFCZ-KKUMJFAQSA-N 440.294 1.990 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243405819 NMGRCSATKREUSE-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE CC1(C)OB(c2ccc(CS(=O)(=O)NCC(=O)NCc3ccccc3)cc2)OC1(C)C 2255796343 PLWRVODPZCPFAF-UHFFFAOYSA-N 444.362 1.722 30 10 IDEE CC1(C)OB(c2ccoc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255821530 DFBJNYNFLBQBNW-GOSISDBHSA-N 425.338 1.783 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255848694 FGBOBVLZURIRLO-CQSZACIVSA-N 436.314 1.945 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)n1 2267492329 AFTTZKVXNTWXBF-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492823 DNCLRKSNPSDNFQ-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE Cn1ncc(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513597 WTTGLPWGOSBVDF-QFIPXVFZSA-N 446.357 1.945 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267518728 CXISEATZQOZABA-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267542875 YJTRNJAHIKAZSC-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2267597828 URNGQQVMLJHYDO-AWEZNQCLSA-N 443.275 1.998 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(Cc2ccccc2)CC1 2267599977 YHVSZZAZVBDSPA-GOSISDBHSA-N 439.369 1.899 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2315529149 RBZGGYXNXHPQKC-UHFFFAOYSA-N 434.346 1.802 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc2c(c1)OCCO2 2330718119 HRHCMVXSFVNDDB-UHFFFAOYSA-N 446.533 1.528 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1OC 2330742703 ZFJGAHFLAKPLRI-UHFFFAOYSA-N 434.522 1.432 30 10 IDEE COCCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(C(=O)c2ccco2)CC1 14160925 ZANQZLQFUZDPEA-UHFFFAOYSA-N 445.549 1.433 30 10 IDEE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](OS(C)(=O)=O)[C@H](N=[N+]=[N-])[C@H]1NC(=O)c1ccccc1 32106901 HMEOJLHSNFGTKQ-FTQJZPFOSA-N 425.427 1.490 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 109512339 LXOWPXPSJFAPIX-UHFFFAOYSA-N 431.518 1.659 30 10 IDEE C=CCOC[C@H](O)CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)C1 169680459 NHTIPIFFDSEXPY-WOJBJXKFSA-N 432.517 1.532 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 438948155 MIEIRKPVMYKPSX-UXOAXIEHSA-N 446.403 1.691 30 10 IDEE COc1cccc(N2CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 481527176 IOTCIROLJKDTID-WMZOPIPTSA-N 442.541 1.876 30 10 IDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488258469 DSIPHOPDIGVVJK-LEWJYISDSA-N 433.512 1.658 30 10 IDEE CCc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489014267 QZEYVNPQRQUTPR-UHFFFAOYSA-N 427.530 1.769 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCN3CCOCC3)c2=O)o1 497576141 BJEZFKBZAGPLTQ-UHFFFAOYSA-N 443.569 1.652 30 10 IDEE CC(C)NC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 502210779 DGQUHPUJISSZFH-UHFFFAOYSA-N 440.525 1.843 30 10 IDEE C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508928830 CXQYGCKJSANPBU-UHFFFAOYSA-N 436.516 1.858 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 509016453 ZXRYVCDZRBVLFP-ZWKOTPCHSA-N 438.598 1.109 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)n(-c2ccc(F)cc2)c1C 510691470 SNGDGXWGNYJTQY-QGZVFWFLSA-N 433.509 1.796 30 10 IDEE CN(C)C(=O)CN(CC(=O)Nc1sccc1C#N)CC(=O)Nc1sccc1C#N 514980541 OLXUCAZXRICMIF-UHFFFAOYSA-N 430.515 1.520 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)CC1 522844811 QHJJCRHAYQHUDF-UHFFFAOYSA-N 429.521 1.383 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)(C(=O)OCC)CC1 549291833 LYKPFCPFKMIHDW-OAHLLOKOSA-N 443.570 1.261 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 554301937 RVOSTWHTTBAKJJ-ZWKOTPCHSA-N 433.534 1.167 30 10 IDEE CCN1CCN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673574 IOGNHCZBLLOLMT-CMEHAZOYSA-N 447.495 1.799 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 609451949 BQUKHCGUBIVBPY-UHFFFAOYSA-N 428.581 1.574 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611916216 URXVVNRXEZGMRG-UHFFFAOYSA-N 448.548 1.839 30 10 IDEE CC(=O)NC1(c2noc(CCC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)CCCCCC1 732650696 BTMHBKYKWQMLIX-SFHVURJKSA-N 428.537 1.887 30 10 IDEE CN(C)C1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2F)CC1 732706855 SBMUYRUFVAWOOA-LJQANCHMSA-N 442.539 1.493 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)CC1 734275189 JCJIRSUPSNHXGD-QGZVFWFLSA-N 447.555 1.477 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 735860769 NFIDGYVFCCVWMX-UHFFFAOYSA-N 439.310 1.672 30 10 IDEE N#Cc1ccc(OCCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 741971510 LAEREYWDKOQOBO-UHFFFAOYSA-N 433.461 1.527 30 10 IDEE CN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 756357779 FHTXIODJGIRJRJ-CQSZACIVSA-N 428.470 1.863 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756883866 LMUDXMVFTMGAIZ-YDHLFZDLSA-N 440.497 1.368 30 10 IDEE N#CC(C#N)=c1sc(=Cc2csc(Cl)c2Cl)c(=O)n1CCN1CCOCC1 762989370 HZPLFESKRRSFJZ-UHFFFAOYSA-N 441.365 1.637 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1F 763775666 ATAVLEJJJHITCK-WBVHZDCISA-N 438.477 1.848 30 10 IDEE COC(=O)[C@@H](OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 767540022 UDRXRPXKSJGOMQ-QFIPXVFZSA-N 436.468 1.840 30 10 IDEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)N(C)CC 774279111 DTQDAKSYOLWOON-GOSISDBHSA-N 447.605 1.727 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)c1 784271770 JGGGNGVJSCYOFS-UHFFFAOYSA-N 431.426 1.622 30 10 IDEE COc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCC1 786123849 AXLWZFMQNYSQDO-KRWDZBQOSA-N 433.534 1.684 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790741138 KHRSTOJQCKEPMO-GXTWGEPZSA-N 425.580 1.272 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)C1 802143040 KNJKRDGMBTVLHA-ZDZITJCTSA-N 447.536 1.945 30 10 IDEE C=CC[C@]1(C(=O)NS(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 802160376 WZXGLQNVDZJFMK-PJIJBLCYSA-N 432.539 1.976 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cc1 808114615 VIPHUNXCKXVEOF-HNNXBMFYSA-N 445.497 1.861 30 10 IDEE CN(CCC#N)S(=O)(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 812530378 LGBYJEXGCOYDJY-UHFFFAOYSA-N 429.587 1.530 30 10 IDEE CC(=NNc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccncc1 1084150610 COSLBJFIOSGMQE-UHFFFAOYSA-N 436.457 1.650 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1116556589 QKLXKCSQFIXPEI-MRXNPFEDSA-N 443.953 1.576 30 10 IDEE C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1136499024 IGUDNJFVKFPSIR-UHFFFAOYSA-N 427.526 1.652 30 10 IDEE C#CCN1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 1147283447 KBAGPTQUODTPOE-QGZVFWFLSA-N 439.965 1.578 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccnc(N3CCOCC3)n2)CC1 1156561242 HXVYQOFFPHEEME-LJQANCHMSA-N 426.908 1.989 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cn2)c1 1264634641 OPUUQRQGDQMQDB-OQKWZONESA-N 426.462 1.122 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cccs1 1286281441 HKWSYEGWKWMZAO-OAHLLOKOSA-N 447.528 1.870 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1286387206 OVSDBIHYCSBSQI-SFHVURJKSA-N 432.594 1.642 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1286390141 XTKHTSRGXIDMNM-ZDUSSCGKSA-N 438.447 1.699 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286394242 OEJHLNHRGSXBRU-KRWDZBQOSA-N 445.545 1.585 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286438097 AGBDJAWKLXUJMS-IBGZPJMESA-N 444.547 1.642 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NC(C)C)CC1 1286473501 NLPDDMPNUWMLPP-UHFFFAOYSA-N 448.369 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCN2CCCO)CC1 1286489751 ARLWHKUSGLEMLV-FQEVSTJZSA-N 428.581 1.358 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)nc2)CC1 1286490341 QGUVSIUQXCDRKO-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1286509734 XFRPXTHSPGLDNB-HZPDHXFCSA-N 427.596 1.356 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CCO1 1286940498 FDAIWCKTESNHMO-QZTJIDSGSA-N 446.458 1.582 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1296981345 OMCAQMKFEXTFDZ-SKOAFDGASA-N 430.509 1.314 30 10 IDEE COC(=O)Nc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1299464635 DTSPCQYEHNJIHU-KRWDZBQOSA-N 439.476 1.356 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1300273773 RWFOHPPHPQRLGW-HOTGVXAUSA-N 430.578 1.777 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1300495116 CXJVBUNHYLLSSQ-OALUTQOASA-N 429.546 1.551 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1300499823 XQUZOWYEEKGNRF-HXUWFJFHSA-N 430.574 1.967 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@@H](O)C1 1300527302 DYAGZEMEKXFEPK-QZTJIDSGSA-N 440.573 1.862 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1300534435 BRGPSBBFYSAWBU-FQEVSTJZSA-N 426.542 1.838 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1 1300604644 OAAUQLHLIXHAAS-ZDUSSCGKSA-N 440.367 1.940 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(=O)N(C)C2CCCCC2)n1 1300677163 ZJQIDOCMYQIIRR-UHFFFAOYSA-N 427.553 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](C)CN2CCOCC2)CC1 1300721999 FJUZCETVRZCWQS-LJQANCHMSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1300769460 HCNKXPZFTGVDFI-UHFFFAOYSA-N 443.573 1.827 30 10 IDEE CCS(=O)(=O)C1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1301241998 LGPLTNVMVPJBNB-HVEKOLDVSA-N 425.551 1.857 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301508483 MWJTXDXROHOPGI-HNNXBMFYSA-N 445.593 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301578535 CXTKDXVYKCEPRZ-WMZOPIPTSA-N 444.561 1.497 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1301951621 BXMPIPYIWQAXDJ-HUUCEWRRSA-N 427.475 1.994 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1303000460 GHDUUPSLSXCZTO-CYBMUJFWSA-N 449.441 1.890 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 1303315276 XFMDGKPZZMWYAN-WBMJQRKESA-N 431.474 1.086 30 10 IDEE C#CC[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1310012368 ABWFELYDBSWQTF-HNNXBMFYSA-N 425.507 1.266 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1316284502 FQWXUYBCTVCOLZ-SBNWMZBLSA-N 444.536 1.763 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCN(CC)CC1 1358900469 LJWHAKDDIZFVQW-TUFLPTIASA-N 432.613 1.734 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2)cc1 1358949350 ZHGNVBDUFVEGSU-HXUWFJFHSA-N 427.574 1.894 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358961547 ARSADAJATSLMKK-HXUWFJFHSA-N 448.637 1.200 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358966008 GHKPLZYMFKXSCM-RBUKOAKNSA-N 448.593 1.437 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1359032771 CGPWONNTRZSUOR-QHCPKHFHSA-N 438.532 1.196 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359303103 DKOUUZZUFGNMPF-MBSDFSHPSA-N 441.532 1.586 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC=C(Br)C1 1359306292 BAHYXBXTPFQSPY-BBRMVZONSA-N 440.342 1.793 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359334456 GMZFYAIAJSCIOE-QGZVFWFLSA-N 436.582 1.168 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1360476485 MVZSRXHOKZWPTC-WFASDCNBSA-N 427.900 1.906 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1360481379 PSUIANNELKXPCA-JKSUJKDBSA-N 439.511 1.495 30 10 IDEE COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C)c(B3OC(C)(C)C(C)(C)O3)c1)CC2 1445627276 IHRKVVIFPBCFLK-MRXNPFEDSA-N 426.326 1.777 30 10 IDEE COC(=O)C1([C@]2(O)CCCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)CCC1 1456388304 CRCHYLFQUVHTEF-QHCPKHFHSA-N 439.516 1.847 30 10 IDEE C=C(Cl)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OCC 1462153845 BMCIPROZKRSGNV-HNNXBMFYSA-N 446.957 1.320 30 10 IDEE Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)cc1B1OC(C)(C)C(C)(C)O1 1471389986 KMGAPRTWZGRYOK-KRWDZBQOSA-N 428.338 1.397 30 10 IDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1CCc1ccc(F)cc1 1473060011 YYHHWMLKMZFNQY-UHFFFAOYSA-N 438.459 1.557 30 10 IDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCO[C@@H](c3ccc(C#N)cc3)C1)C2 1478605141 HCOXAOVVGJKSFD-PCCBWWKXSA-N 425.533 1.725 30 10 IDEE CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1501526832 DRUCJNLYNNCBNJ-HUUCEWRRSA-N 437.522 1.528 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1502913804 CSYIGLNKOGKWBB-QZTJIDSGSA-N 443.504 1.790 30 10 IDEE COCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)cn1 1504896339 ADXJJISVXULOEP-UHFFFAOYSA-N 426.525 1.535 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1507520268 BXEDYJNVOXTIJE-QRQCRPRQSA-N 429.521 1.495 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1507536278 BJAHARUPFKRHOV-FTRWYGJKSA-N 439.582 1.010 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1507622600 JJOPQTLYTTVRGK-IYBDPMFKSA-N 444.540 1.292 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1508006619 SWKIGOCKYCUNIT-CQSZACIVSA-N 435.579 1.924 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1508040532 YVLPLKQWFPOVAO-NTLWEQJWSA-N 438.594 1.760 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508092677 FEGRJSAZVVMKGN-OAHLLOKOSA-N 446.939 1.870 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1508113417 XWGZPEYMFFSOHB-SFHVURJKSA-N 430.534 1.489 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1519243469 XMRIAXOPLTUHFJ-UHFFFAOYSA-N 437.504 1.776 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1531322246 WIDUYWPORMBNGY-PVAVHDDUSA-N 428.532 1.072 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1539226522 ZQDDPOANISFCIT-SFHVURJKSA-N 431.587 1.810 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1539393019 ZIJQQRLXLGWSOH-SFHVURJKSA-N 441.507 1.843 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)N(CC)CC)CC1 1539460138 XUNGLCSMHXCASN-GOSISDBHSA-N 443.621 1.755 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 1540822458 XTZTXIFLBIZDJE-UHFFFAOYSA-N 445.472 1.777 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@](C)(CC)C1 1540866169 FGUDJYDXCKLYAW-NRFANRHFSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540868312 ABFRHBUCNXKIPM-INIZCTEOSA-N 444.540 1.474 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2cnccc2c1 1540874181 XRHJEPDCCQUTOJ-UHFFFAOYSA-N 433.516 1.887 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1540903568 GEJUGDYYMBGVQR-UHFFFAOYSA-N 437.610 1.916 30 10 IDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1545121362 NGLWOVNTSYMMJE-MRXNPFEDSA-N 436.472 1.863 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)n1 1555119742 YIXZUHZGESPXEM-UHFFFAOYSA-N 434.504 1.713 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)s1 1558621303 ASHCBKWCRSHZOU-HNNXBMFYSA-N 433.511 1.732 30 10 IDEE N#C[C@]12CN(C(=O)c3nn(-c4ccccc4C(F)(F)F)cc3O)C[C@H]1CS(=O)(=O)C2 1558643613 ZYXHDFCEKZVUTB-APPDUMDISA-N 440.403 1.607 30 10 IDEE N#Cc1cc(C(F)(F)F)cc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)n1 1559170418 KTHHYPSGFAZPPM-UHFFFAOYSA-N 431.362 1.927 30 10 IDEE CN(C)C(=O)O[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1569298973 PEKGDTPJUWQZTN-DLBZAZTESA-N 427.461 1.452 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccc(N2CCOCC2)n1 1588660770 ZQBBUVBXUQCARK-UHFFFAOYSA-N 447.543 1.630 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC=C)CC1 1588913834 RJDBZSARWJPQQD-UHFFFAOYSA-N 436.516 1.222 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1594614778 AANULIFWWALZJU-GJZGRUSLSA-N 427.513 1.117 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1594626291 MBMJAFBPQZFOLA-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1594802579 CWONJYVUJFCNSU-IBGZPJMESA-N 429.569 1.820 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1594962974 OJOAFJBLEYJBNR-HNNXBMFYSA-N 432.529 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CCC(C)(C)C)CC1 1595789006 MOMONBFYANMXDQ-UHFFFAOYSA-N 447.609 1.894 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(C)C 1595789534 VTJXNXMKQBDVGF-UHFFFAOYSA-N 444.561 1.885 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597268242 BDZPCYFVOMXVJZ-OEAGWNGGSA-N 441.536 1.110 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC(C)C)CCOC1 1616253211 LSMIWISAYDFHEF-UGKGYDQZSA-N 432.569 1.922 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)c1 1618837980 HDOYOUKZUGHJDL-FQEVSTJZSA-N 441.492 1.738 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(I)cc1N 1627068253 YLAMNKKUAHCGKD-UHFFFAOYSA-N 428.274 1.561 30 10 IDEE O=C(NCC#CCO)c1cc(I)ccc1I 1635128691 SFLFGBSUEYKCMP-UHFFFAOYSA-N 441.006 1.621 30 10 IDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1640254280 TUWNXIRYUCIRTJ-JOCHJYFZSA-N 427.310 1.852 30 10 IDEE COC(=O)[C@]1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1643878452 PAMMFCIHHFAUNU-MWTRTKDXSA-N 444.532 1.620 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 1651508788 ADTKVLSZBNMUHJ-MAUKXSAKSA-N 442.497 1.709 30 10 IDEE CC(C)N(Cc1ccccc1)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652133730 DVSBPVNKJHLKKH-UHFFFAOYSA-N 440.500 1.661 30 10 IDEE C[C@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(F)cc1 1654811648 LNGVYGPWJBITHJ-CYBMUJFWSA-N 434.445 1.892 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)C1 1656883330 AHHJMMGERFODMT-CYBMUJFWSA-N 426.336 1.710 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(Br)cc2C)CC1 1662385269 DVUFMSWMSCJKQP-UHFFFAOYSA-N 442.379 1.344 30 10 IDEE C=CCn1cc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc2n1 1675013015 OFNGRNYGIYNAQZ-FQEVSTJZSA-N 434.500 1.947 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)C2)nc1 1675541786 NODWOKHKMFKNGC-NHCUHLMSSA-N 441.580 1.336 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 1679616400 OLRJQGFJVYOFBH-ZDUSSCGKSA-N 433.317 1.222 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1689854863 JKKGHZQDGOEBQO-JVIIGWRGSA-N 438.576 1.992 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1689986193 KNPAMEQWLFZTGW-SFHVURJKSA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1689989348 DQWQYDNTUCWMGZ-JKSUJKDBSA-N 435.937 1.505 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NCCC 1690089715 KORHQJAHWWXEBJ-SFHVURJKSA-N 426.496 1.924 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)CC=C)CC1 1690146538 QAWVEQIPINYXHO-UHFFFAOYSA-N 435.594 1.433 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690508735 OIOHSEGBGNOCLW-GOSISDBHSA-N 443.552 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690724786 WIXINUXLUMGMJA-FUHWJXTLSA-N 434.566 1.848 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690993525 MBKIAQHXLHGXJF-RDJZCZTQSA-N 441.511 1.593 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1=CCCOC1 1692540349 SMEYOWWDPOSZFK-UHFFFAOYSA-N 435.532 1.961 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1694328214 YBAMPKJXXSHQIS-SFTDATJTSA-N 431.516 1.649 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCn2cc([C@@H]3CCOC3)cn2)CCOC1 1696032287 XXXKHVWLAHYLPT-NJNPRVFISA-N 443.552 1.927 30 10 IDEE COC1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697214551 DYJKPSQTJPQUKV-FBMGVBCBSA-N 443.895 1.745 30 10 IDEE COCCn1cc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1698073975 QHCRYECQTNHWQG-SFTDATJTSA-N 447.515 1.652 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccccn1 1698169971 SQHZOJSTGJIJDT-PXNSSMCTSA-N 425.537 1.816 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1705564999 DZGOSWWQMLDZCY-DLBZAZTESA-N 449.577 1.063 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)[C@H](C)CC)CC1 1705638185 BLJQOJHSLOETBK-QGZVFWFLSA-N 427.553 1.491 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)N(C)C 1712541616 BXUCFMUKGPVSML-YJBOKZPZSA-N 428.559 1.024 30 10 IDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1722326202 RIICAZSDTZTJOT-UHFFFAOYSA-N 434.518 1.619 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1722358280 FTDVMKJBPJULGW-MRXNPFEDSA-N 432.546 1.965 30 10 IDEE C#CCN(c1nnc(CC)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369047 YAKPBFYBIJSYKW-HNNXBMFYSA-N 425.555 1.334 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722371577 KKRYHURUYYDLFZ-HXUWFJFHSA-N 442.585 1.995 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)OCC)CC1 1722441950 VCEGURKINKEDPF-UHFFFAOYSA-N 430.578 1.840 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 1722442269 RCXXTMOLOFNXLS-HXUWFJFHSA-N 429.496 1.557 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1722500567 JOYHSHVVJQUEGX-HOTGVXAUSA-N 427.571 1.834 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722500644 CNFLBKXTIURAPC-GTCCEBARSA-N 430.553 1.344 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCNS(C)(=O)=O 1722510254 SHMGFPQWKROFHX-ZACQAIPSSA-N 427.571 1.139 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1722536083 QURLBRDSYAFIEJ-UHFFFAOYSA-N 446.577 1.921 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1722658346 HJGDIECTDAPACM-LJQANCHMSA-N 443.573 1.899 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722725603 OTFURPQXWNLCLZ-INIZCTEOSA-N 444.561 1.436 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722751274 RWLYSROAAKACHX-SFHVURJKSA-N 449.577 1.606 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1723645514 GCPVKPBRCHSHPT-UHFFFAOYSA-N 447.547 1.397 30 10 IDEE Cc1ncsc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1724105956 LSCYVIYTLKWCAY-GFCCVEGCSA-N 435.535 1.803 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)[C@@H](C)CC 1729068806 CEGHSXVSWDOGAR-ZWKOTPCHSA-N 441.584 1.922 30 10 IDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1729144526 INVPCKSZKSRRTD-UHFFFAOYSA-N 447.561 1.619 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1740554133 WRCKWVDOJOEGCO-RDJZCZTQSA-N 426.546 1.996 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)CC1 1740694532 MJMKDIXFTSECIK-HNNXBMFYSA-N 431.447 1.029 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1740729440 FSBMIIYDRWNJTP-HXUWFJFHSA-N 426.502 1.631 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1740731808 IIWYMRCWCSQSAJ-FXAWDEMLSA-N 431.518 1.332 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 1740950890 LSADGPFBPAWXQD-UHFFFAOYSA-N 447.490 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 1740992846 OMTOHJLIWSDNJX-UHFFFAOYSA-N 446.577 1.169 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCOC1 1740994640 RAKRXBRPDHJIHU-CQSZACIVSA-N 439.563 1.096 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1741678305 DCTDMFDZFGTCFS-INIZCTEOSA-N 438.467 1.518 30 10 IDEE CCN(C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1746009043 IUNHTABEBZOVQL-OAHLLOKOSA-N 448.549 1.545 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2([S@](C)=O)CC2)c1 1748692962 UDUDZQQUEAPQGF-INZIPBBXSA-N 441.557 1.749 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1748825037 VSGZWSRBTXSXEG-ZWKOTPCHSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1748855666 GKPYFFSXUONYRS-VGSWGCGISA-N 439.541 1.681 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1COCCO1 1748913457 VVQOYIPIEFCEFX-KRWDZBQOSA-N 446.577 1.812 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1748944910 ITRDDBCNTBFVSD-RBUKOAKNSA-N 427.480 1.814 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 1749038266 PLGQRGJCMHWRAX-ULQDDVLXSA-N 439.607 1.356 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccnc(-n3cccn3)c2)CC1 1749286288 HJQMKZUZQIDYDY-MRXNPFEDSA-N 442.549 1.674 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1749414987 LJNCFWHSQKEYLI-MRXNPFEDSA-N 446.577 1.829 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749677248 SWJUBUDQGMUXHD-UHFFFAOYSA-N 427.509 1.228 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749735709 VDAFKXJZLZLTNN-KRWDZBQOSA-N 425.599 1.818 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749736572 LHHKUASUXAABND-KBPBESRZSA-N 425.580 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1749738769 XBYKVKQGWJCYQZ-NRFANRHFSA-N 447.561 1.468 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1752482266 JIUIRBYDNWFMLY-HUUCEWRRSA-N 446.533 1.188 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC(O)CC1 1760104884 IVKGSGFMZHSQRM-QGZVFWFLSA-N 435.536 1.226 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ncnn1C(C)(C)C 1760204858 FMKFCNDADKSTMH-UHFFFAOYSA-N 427.516 1.984 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1760220367 ZRIVIHCBGNVBDZ-SFHVURJKSA-N 436.541 1.648 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1760221682 GRJAIUNTPMHKGN-UHFFFAOYSA-N 431.562 1.221 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCNS(C)(=O)=O 1760320665 YSSNPZOAOXLMKO-HKUYNNGSSA-N 449.577 1.920 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COC)CC1 1760323528 DEWRMIBWRADKBA-KNQAVFIVSA-N 440.548 1.540 30 10 IDEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760391207 UWPBUJPSALFAOD-OAQYLSRUSA-N 432.546 1.584 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760421139 GFDFMDPMBSEUFN-UHFFFAOYSA-N 438.598 1.779 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)CCOC1 1761273386 BFFSBBHPXSMJGH-QFBILLFUSA-N 440.570 1.093 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccnn2C)C2CC2)n1Cc1ccc(C#N)o1 1761473082 JEEXQMDRUNXDCB-CYBMUJFWSA-N 444.521 1.304 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762696512 FIBSFUBYHHIJQQ-FZFLATATSA-N 441.536 1.204 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763613952 VWYOAYGQTZCSOM-AOMYARPXSA-N 429.525 1.410 30 10 IDEE COCc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1769347705 FPZFAKLXSRCOOD-AUUYWEPGSA-N 436.513 1.525 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](OC)C1 1772660514 ZDTNKQXCLSSVNM-MRXNPFEDSA-N 436.534 1.788 30 10 IDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N2CC3(COC3)C2)cc1 1851579216 FDNPXOALNJMESA-IBGZPJMESA-N 445.928 1.960 30 10 IDEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870561570 SMXDICGMNVIGPH-UHFFFAOYSA-N 432.528 1.864 30 10 IDEE CCn1c(=O)c2cc(S(=O)(=O)Nc3ccc(OC)c(C#N)c3)ccc2n(CC)c1=O 1892192391 ZXFJUSGKULTNMS-UHFFFAOYSA-N 428.470 1.884 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 1985780821 UXQVBBCRIZZGSR-CQSZACIVSA-N 426.514 1.672 30 10 IDEE CC(C)(C#CC(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1993918857 DOKGYLIRZCPGOI-UHFFFAOYSA-N 425.526 1.639 30 10 IDEE N#Cc1cc(I)cc(I)c1[C@H](O)C(=O)O 2060281226 IPHMXAQHYXKIPV-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE CC1(C)OB(c2cnc(N3CC[C@H]4CS(=O)(=O)C[C@@H]43)c(Br)c2)OC1(C)C 2172785264 TXGIXLJLQOXOFF-FZMZJTMJSA-N 443.172 1.767 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405583 VHGAJLKDPOHEFQ-JTQLQIEISA-N 440.331 1.150 30 10 IDEE COC[C@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248441637 MVYLMWGVJKQBPL-NSHDSACASA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC2)C1 2255605472 QSXBETDKIRCLNM-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255806700 IYMYOMLQJFVMGQ-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CC(NC(=O)OC(C)(C)C)C1 2255821064 ADUWCAMKURGZKQ-UHFFFAOYSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851378 PLYOHGVSXMTRCB-UHFFFAOYSA-N 436.314 1.727 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256733693 AOBHWGHDKADXPI-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267147851 UMNWTSHKTYEVDI-ZIAGYGMSSA-N 446.357 1.623 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2267180906 KVSFKSNTJUSENN-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2267182400 GEMZUCOIUCQRIP-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267198284 WABHPIUWVTUCRQ-DZGCQCFKSA-N 448.329 1.045 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267595153 COKSWAHVIAXUCT-CQSZACIVSA-N 449.361 1.586 30 10 IDEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267597494 QTQHTONYDFGRFR-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CCn1cc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2268991301 PJPNWGBYRHUEBO-QGZVFWFLSA-N 443.309 1.602 30 10 IDEE C=CCC1(CN)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2287708257 ZHSHYGMPTNYUJF-FQEVSTJZSA-N 437.537 1.958 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2307112433 MIFNZRLNALWXOM-AWEZNQCLSA-N 439.509 1.874 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2319675613 WRWYOMKWZOJPQV-AWEZNQCLSA-N 435.334 1.998 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327828265 HENQOKGJDLABAA-AWEZNQCLSA-N 430.534 1.861 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1sccc1C#N 11399095 IBRDXGYLDYPHSW-UHFFFAOYSA-N 449.510 1.745 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 427686128 PSACAMVHCVWKFQ-UWVGGRQHSA-N 428.367 1.088 30 10 IDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461298093 UDTROPOAGZBGDJ-UHFFFAOYSA-N 439.501 1.904 30 10 IDEE CCOC(=O)c1cnc(N2CCN(C(=O)COc3ccc(C#N)cc3OC)CC2)s1 464680983 YKLDAFMJMLDJII-UHFFFAOYSA-N 430.486 1.928 30 10 IDEE CC1CCC(NC(=O)CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)CC1 466107803 OKNHDGORFHLKQN-UHFFFAOYSA-N 427.549 1.959 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 478759342 XICZCCPBNPTFNN-SJLPKXTDSA-N 442.512 1.727 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O 480071925 QAUFUCSSGGJXME-CVEARBPZSA-N 432.488 1.367 30 10 IDEE COc1ccccc1N1CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 482815281 MYEXTMNYBGARRW-DOTOQJQBSA-N 428.514 1.629 30 10 IDEE N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502034412 UHEHXUWCZPPGSU-RBUKOAKNSA-N 428.489 1.575 30 10 IDEE CN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 502298104 DJLDUCVLHNWLNW-UHFFFAOYSA-N 433.456 1.352 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)c1C 520896873 CVCITVPCMJATIC-IBGZPJMESA-N 439.581 1.981 30 10 IDEE Cc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 527187181 VILXEBILEKFHDA-UHFFFAOYSA-N 433.468 1.496 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2CN2CCOCC2)CC1 537165542 KNGFPUMBZZGEOH-PMACEKPBSA-N 431.606 1.644 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)CC1 540350992 WIOZPZAAKQZFNI-HSZRJFAPSA-N 437.588 1.980 30 10 IDEE COc1ccc(C[C@]2(C)NC(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)cc1 730251967 KQKRAJDNPDJKAX-QHCPKHFHSA-N 434.500 1.595 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccccc2Br)C1 732468098 BSCLXHGLERYNKB-FKEVTRRJSA-N 448.321 1.853 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@@H]1CCCO1 736586831 IHMMYHFIBJFEQQ-AWEZNQCLSA-N 432.571 1.191 30 10 IDEE C[C@H](CC(=O)N1CCC(c2nnc3n2CCC3)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742555302 YNUXDPXIYNDDFS-CQSZACIVSA-N 442.545 1.448 30 10 IDEE COCCOc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCOC)c1=O 751554746 QKMCHONDLWFKPM-UHFFFAOYSA-N 442.537 1.454 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br 767988396 FDMNUMYUJNNZRH-HVESIFNPSA-N 447.289 1.365 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649885 TWTQTJKBHVQNQC-UHFFFAOYSA-N 426.542 1.536 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC(=O)N2C(C)(C)C)cn1 796863726 REENQBMIEITHSO-ACJLOTCBSA-N 447.492 1.624 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 797841585 NOXIXPGYNWPDEU-XHDPSFHLSA-N 440.490 1.919 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(-c2ccnn2C)c1 802721945 MAAPAWHHVHQAGD-GOSISDBHSA-N 431.521 1.824 30 10 IDEE Cn1nccc1[C@H](O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1148573481 OVXFGTMPTPOXHV-LJQANCHMSA-N 431.518 1.198 30 10 IDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CCOCC1 1167409584 JMZLEUKQZAXKRF-MRXNPFEDSA-N 434.436 1.798 30 10 IDEE N#CCCN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC1 1171874519 HTVJNEAGMFGFTN-UHFFFAOYSA-N 442.497 1.888 30 10 IDEE N#Cc1cn(C2CN(C(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)C2)c(=O)nc1O 1180990529 UOFGPXJACPHIJI-UHFFFAOYSA-N 440.847 1.930 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 1223197290 LHKLMTOVMQWPRO-OAQYLSRUSA-N 426.542 1.765 30 10 IDEE C#CC[C@H](CCOC)NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1253778972 HESFQKVWJWDWSA-CVEARBPZSA-N 431.555 1.138 30 10 IDEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CCOCC1 1280098330 WWMLDIBNZKWHGB-SJLPKXTDSA-N 432.498 1.168 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1286377124 SKVDLZCPIWMQRK-HUUCEWRRSA-N 425.555 1.410 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286379809 CIRJEKQLVWANHG-GOSISDBHSA-N 447.605 1.967 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1286471083 HQSQEJXDMYRABW-UHFFFAOYSA-N 449.559 1.067 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC=C 1286528026 NGUKYRVUEQHGIT-HXUWFJFHSA-N 447.586 1.863 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286534816 DHVYJCRAVDXDNT-IHRRRGAJSA-N 428.331 1.626 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 1286537365 ABWQRVOXAOOUCV-ZDUSSCGKSA-N 438.330 1.132 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(N)=O)CC1 1286565026 ODHDOZYCDFWPHP-UTKZUKDTSA-N 430.553 1.474 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286815191 NZKUMRYRVPRMMG-IRXDYDNUSA-N 443.485 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCOCC1 1286817858 YSPOYAXWTHDHSF-UHFFFAOYSA-N 434.518 1.544 30 10 IDEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC(N)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1290090912 BPDQEBQTCGZLEO-DSGGYQJVSA-N 437.504 1.480 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(CCOC)c3)C2)cc1 1290545917 KDMSUCDZGRZKCZ-OAHLLOKOSA-N 426.477 1.829 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)s1 1292143047 ZNIPOPRSJXLZEP-HUUCEWRRSA-N 443.591 1.145 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)ccc1F 1300061531 DIOXLIFZFLUBRB-GOSISDBHSA-N 426.510 1.588 30 10 IDEE COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)c1 1300320303 BUWSIWCGSVXGSR-HNNXBMFYSA-N 427.509 1.593 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1ncccc1F 1300521254 UPYJDMMGKKYIJP-UHFFFAOYSA-N 443.446 1.607 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)NC(C)C 1300522917 PWKGFAPJKHVWQP-UHFFFAOYSA-N 436.541 1.894 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(=O)NC)c1 1300544795 GBKCWAAVPPKKGO-UHFFFAOYSA-N 429.528 1.815 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(F)(F)F)n1 1300676032 YNPCFENJRBDLQF-UHFFFAOYSA-N 436.438 1.949 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)c(F)c2)CC1 1300706645 QNUIRNLVSZWWBD-UHFFFAOYSA-N 439.539 1.409 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccccc2CN2CCCC2=O)CC1 1300727164 USYIPRXQQGYJTE-UHFFFAOYSA-N 448.571 1.977 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301478051 GZOPCRPLKPQBRF-INIZCTEOSA-N 439.520 1.116 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301515647 WKOQLKKDKXWPGY-QGZVFWFLSA-N 438.488 1.420 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1305233437 BPTRKQBTDMILAD-APWZRJJASA-N 444.561 1.161 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1358938288 WFMUBVDUGFXSSK-UONOGXRCSA-N 428.559 1.213 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1358949913 RDJBQPYXKAFPFC-KRWDZBQOSA-N 436.557 1.234 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358961786 FGUHYVGTWJCOEW-HKUYNNGSSA-N 435.594 1.283 30 10 IDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359081390 ZHTJAMWCWFJEFL-AWEZNQCLSA-N 446.309 1.721 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359093068 JTAYXSOEXXPENW-IEBWSBKVSA-N 449.581 1.121 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCOC2=O)CC1 1359174198 XUCRTFKGBUIPAZ-CQSZACIVSA-N 426.543 1.133 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1359240698 VQDHTWZSOUGINY-LLVKDONJSA-N 429.490 1.486 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1359272375 QPIIWMQLGPWJTP-MRXNPFEDSA-N 428.580 1.183 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359292109 IKRVXUSPFINTMF-ZOBUZTSGSA-N 442.495 1.574 30 10 IDEE N#Cc1ccccc1COc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1457197343 OZFUNIGCVHSIRA-UHFFFAOYSA-N 427.420 1.968 30 10 IDEE CSc1ncc(I)c(NCCN/C(O)=C2/N=CC=CC2=O)n1 1458160998 AMXXVHUSNURGIZ-BENRWUELSA-N 431.259 1.741 30 10 IDEE CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1 1470589525 RMPFSNRBSUCROE-OAHLLOKOSA-N 432.468 1.977 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1470958369 BZSSPVYDPJEVKQ-GOSISDBHSA-N 430.530 1.597 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2)C1 1471261753 VIIFECJFMFOBIC-JOCHJYFZSA-N 428.294 1.828 30 10 IDEE C[C@@H](CC(=O)N1C[C@H](C)N(CC(F)(F)F)[C@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1472251798 JRUKWQCTYGIEAL-MELADBBJSA-N 446.495 1.987 30 10 IDEE C=CCN(C)CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1473432930 YVUOJOSVUQIFIU-UHFFFAOYSA-N 436.622 1.576 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CC1 1475898839 HRNSCEDADRYWOO-UHFFFAOYSA-N 439.925 1.084 30 10 IDEE C[C@@]12CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@]1(C)CS(=O)(=O)C2 1478568741 RBXOLVAAYFEGHM-UIFIKXQLSA-N 430.530 1.125 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)cc1C 1492246648 HSKACCIVAUXIEI-HSZRJFAPSA-N 437.548 1.954 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCN3CCOC[C@@H]3C)CC2)c1C#N 1492726940 BSHOJXXSTSXQOX-KRWDZBQOSA-N 441.584 1.362 30 10 IDEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1498881935 AFFAHQYFEVFAHP-OAQYLSRUSA-N 427.530 1.555 30 10 IDEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1501977839 HQFAGVUMMBPNLD-DYESRHJHSA-N 439.564 1.888 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1502526097 GJMZUEWSPZATFU-ZWKOTPCHSA-N 437.504 1.810 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1504848728 LGBGATGEKQNLOI-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)CC 1507533414 MLUZRSSSFAPNHT-HNNXBMFYSA-N 428.518 1.997 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1507537982 JYSOCDSEIAGKKQ-LSDHHAIUSA-N 427.596 1.355 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1507544995 GVBAPQBPWNHJKJ-DLBZAZTESA-N 429.496 1.949 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1507652351 HUIAPXPBGAUNJT-UHFFFAOYSA-N 440.511 1.920 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CN(C)C 1507663826 DAFCBTQOSPDUAA-UHFFFAOYSA-N 431.548 1.972 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN(C)C1CCCC1 1507712884 RZMARLNWFBNRCD-UHFFFAOYSA-N 428.537 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2cccc(C)c2)CC1 1507740765 YVMHOAGIOKLAOT-UHFFFAOYSA-N 448.571 1.935 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC 1507821082 UAUIKVOTRVEVBO-LPHOPBHVSA-N 429.587 1.565 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1507980731 IAWADTZUOLEUNA-GJZGRUSLSA-N 429.612 1.765 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cncn2)C1 1508072007 AMUQNHXGTZZRTD-OAHLLOKOSA-N 427.900 1.729 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)CCN1CCOCC1 1508134982 BUMQYSNBSPAEFC-UHFFFAOYSA-N 433.578 1.623 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1508382842 WQEVJFJKYFYWIP-OAHLLOKOSA-N 447.565 1.460 30 10 IDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1517028491 CUPBVWLXVAOOQI-ROUUACIJSA-N 444.561 1.712 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1521082167 DRZBUNTWXGPVOU-ROUUACIJSA-N 426.502 1.513 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1539225824 QFQHLZQBSKRHDN-IAGOWNOFSA-N 435.575 1.440 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1539273502 VDVAISSYCBDUOX-UHFFFAOYSA-N 442.527 1.719 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 1539284244 JMHNBFFBRUDZEY-UHFFFAOYSA-N 431.562 1.334 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)F)CC1 1539453713 PQJVPZVUGAXCMV-UHFFFAOYSA-N 429.475 1.901 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1539466521 AEZLCQKMAKWVAT-UHFFFAOYSA-N 448.571 1.876 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)NC)CC1 1539488147 IMSISCPKQVHSSV-UHFFFAOYSA-N 447.543 1.383 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539744065 CNJBUDNRBDFGRH-RTBURBONSA-N 442.568 1.947 30 10 IDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C(F)(F)F 1539839161 PEQFZDICMCGLBN-GFCCVEGCSA-N 442.257 1.802 30 10 IDEE C=CCN(C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1540062354 KQQUUIVPDTZKLG-QGZVFWFLSA-N 441.351 1.879 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@H]3CCOC3)cn2)C1 1540883127 UPYOFBDCFKAECY-PKOBYXMFSA-N 443.552 1.598 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1540943408 QDGPMQJDZHPIKC-SGRLSNSRSA-N 443.552 1.308 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1541115844 FYUOZTNVSPITIZ-HOCLYGCPSA-N 431.518 1.596 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)c1cc[nH]n1 1545310480 WKUXPOJECNTKMH-UHFFFAOYSA-N 439.513 1.703 30 10 IDEE COCCCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)N(C)C 1548375382 KAPMALVNICOUNS-QGZVFWFLSA-N 441.454 1.902 30 10 IDEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1555487989 LHWLVHKYKCKXAW-SFHVURJKSA-N 447.561 1.618 30 10 IDEE COCCOC1(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555683340 XYUAKIIIXJSTJL-IBGZPJMESA-N 433.553 1.952 30 10 IDEE CCN1CCC(N2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 1557073177 FLWNKCOHWGEVDW-GOSISDBHSA-N 447.605 1.244 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)Nc2sccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1560175103 GUOYVFRULOFHNC-AWEZNQCLSA-N 434.518 1.900 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2CCN(C3CCOCC3)CC2)C1 1564530649 GMHPGQWQQQCJCH-PKOBYXMFSA-N 435.569 1.936 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1564647635 HGPJCTCARARCFI-QGZVFWFLSA-N 438.456 1.490 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCC2)c1 1570794043 JDJAYPAMAGFDRG-UHFFFAOYSA-N 447.538 1.436 30 10 IDEE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1570808252 CXENDMFLCGPQRW-PBFPGSCMSA-N 425.482 1.253 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1F 1583206801 UVZDIDLAXSMIKX-UHFFFAOYSA-N 449.464 1.556 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCOCC1 1587969730 CRCZFEQKKDSPOY-UHFFFAOYSA-N 445.593 1.420 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588055587 XWMBQRINIOKAEN-OPYAIIAOSA-N 438.594 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1588891659 RUEVPGDOBOOMGW-UHFFFAOYSA-N 440.523 1.576 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1588907266 ADKDTTAPIXYMHQ-DEOSSOPVSA-N 448.527 1.588 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@H]1CC 1589069615 MSKGFLRIJHTPRX-CRAIPNDOSA-N 427.530 1.872 30 10 IDEE C#CCSCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OCC)CCOC1 1589124848 CDZOYBHPMPYBQX-NRFANRHFSA-N 433.578 1.403 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1589599589 IRIYOJNLIOMORI-FQEVSTJZSA-N 442.582 1.272 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1595398971 MPOXPTDMHUJFLQ-SLFFLAALSA-N 430.597 1.985 30 10 IDEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1595851225 ZCUPCWOIQBZSDH-UHFFFAOYSA-N 439.589 1.946 30 10 IDEE CCC1(CC)CNC(=O)[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1597619473 QJPUUKDKXRBTAI-SFHVURJKSA-N 432.546 1.380 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1608234982 GHGKXFRSZXLVQU-KRWDZBQOSA-N 430.534 1.359 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 1611541630 LFHYUJKGUMENSI-UHFFFAOYSA-N 431.470 1.703 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1611740259 CMWKQGXOZAMXEU-XHHGLIPKSA-N 431.468 1.826 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccccc1F 1612599857 PVSJHVHBPOPHBK-UHFFFAOYSA-N 434.479 1.749 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@H](C)O[C@@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1616182024 SDWWTZGZSWMADR-RRMPHLOHSA-N 431.493 1.683 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CCO1 1618710698 UBAMDTUAIFQFCY-ATZDWAIDSA-N 440.504 1.105 30 10 IDEE CS(=O)(=O)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1620168163 XLYPSLQWNFGZIO-KRWDZBQOSA-N 425.555 1.363 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)nn1 1622264938 WBVITZFWEBVQQT-UHFFFAOYSA-N 440.323 1.614 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)cc1 1627449917 YAXGNKPDVAAWOJ-GOSISDBHSA-N 445.516 1.380 30 10 IDEE CO[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)N(C(=O)OCc2ccccc2)C1 1628386626 XTXXGTRPNUMXOK-OVGZCAFISA-N 442.472 1.055 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1632874490 GUFJKXXBEOPILN-XNTDXEJSSA-N 437.325 1.088 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2CCN3C(=O)COC)s1 1633678731 HXIUBXYQOFFRCX-UHFFFAOYSA-N 449.554 1.929 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)C1 1638075032 MXFUZSPNUGCNQG-KRWDZBQOSA-N 430.553 1.986 30 10 IDEE C[C@H]1CN(CCCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1649559514 BLBJHSSMQHYKEB-NSHGMRRFSA-N 425.537 1.492 30 10 IDEE C#CCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1651973680 SRTRCAIBIJZEQG-UHFFFAOYSA-N 432.521 1.712 30 10 IDEE C#CCN(CC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1)C(=O)OC(C)(C)C 1653799513 XZPUFRROWVXSJX-SUMWQHHRSA-N 438.468 1.825 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 1664414804 RMPRLDWHTLGJMB-UHFFFAOYSA-N 428.576 1.218 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1682697505 ISKBSRSKSYMOAG-HIFRSBDPSA-N 437.547 1.441 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCC(CC#N)CC3)CC2)cc1 1683846949 NVSLTPDMSOLXCW-UHFFFAOYSA-N 449.577 1.482 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)NCC=C)c1 1689870207 FXCQUTNPSAXCBP-UHFFFAOYSA-N 429.484 1.699 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689986254 LVQSZMBXOKVLNL-GOSISDBHSA-N 432.594 1.641 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1689988960 ZMBQGIIRGRPIEH-QGZVFWFLSA-N 444.561 1.569 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1689992835 PLNOKWOATAWBPL-AEFFLSMTSA-N 431.587 1.644 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCOC2)CC1 1690132865 ZDKPEVUIJMZHNN-QHCPKHFHSA-N 425.533 1.381 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CC=CCC2)CC1 1690148857 XJYWECGWOSTHIY-UHFFFAOYSA-N 433.560 1.492 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690340893 AMAPHJWXQKQZHW-UHFFFAOYSA-N 430.944 1.622 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(OC)C1 1690671351 UKSSUNITWZZVHF-INIZCTEOSA-N 448.568 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NC)CC1 1690723687 YJNFJDDKLBGMEK-UHFFFAOYSA-N 432.550 1.212 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1OC 1698288813 UCDAIXSDEVBSJN-FRNPEBFTSA-N 438.488 1.322 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CC3CCCC3)n1CC(=O)NCC(F)F)C2 1698485344 CEKKGDWYRXYEJN-UHFFFAOYSA-N 445.474 1.927 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1705631911 SFIWSJWWLBJNIK-OAQYLSRUSA-N 435.576 1.572 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705665479 VESPJIUSLSUSLT-OXJNMPFZSA-N 437.566 1.574 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705733940 YHXWKFVGPSYKQN-INIZCTEOSA-N 437.508 1.180 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705799442 WVXXSDJRQWLJCI-MRXNPFEDSA-N 441.540 1.402 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1 1711371860 DCWLGCXVUBCQGW-LJQANCHMSA-N 426.521 1.831 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCSCCCO)CCO1 1712884995 XGNQJDCYNVXMCL-IBGZPJMESA-N 439.545 1.975 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@@H]2CCOC2)CCO1 1712886053 HBQUZUOBYMOLPV-HZPDHXFCSA-N 446.533 1.194 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722368084 ZBJZPDNBJGVRSN-WMZOPIPTSA-N 432.546 1.539 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)C(=O)NCC2 1722371543 XOSLQVRPFISPEG-UHFFFAOYSA-N 432.528 1.604 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(N(C)C)Cc2ccccc2C1 1722425080 LUEGNHMFOAYMIT-UHFFFAOYSA-N 431.544 1.920 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1722447350 KUFKOSRXLGERLY-UHFFFAOYSA-N 446.515 1.483 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCCCC2)CC1 1722448679 XEFSQPODDRLCIF-IBGZPJMESA-N 429.565 1.833 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722694798 JAHZETBAWFPZRJ-QFIPXVFZSA-N 443.504 1.260 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722702878 SPLRXQRXKDPJTE-OAHLLOKOSA-N 432.550 1.433 30 10 IDEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1723073015 KKYVZNGQVJMZJS-FQEVSTJZSA-N 428.472 1.530 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1726699072 OHURNKPTPTWRFE-MCYOWCNASA-N 432.550 1.640 30 10 IDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740588327 PVVFHRGHIOXIFT-FQEVSTJZSA-N 443.573 1.989 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCS(=O)(=O)C1 1740642946 AIIAASJDLKMCKB-IBGZPJMESA-N 426.542 1.797 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1740679583 DIQOQYRPKLTVSG-KNQAVFIVSA-N 433.553 1.275 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)C1 1740982918 YLPQDDNAQDCRRD-MSOLQXFVSA-N 437.610 1.836 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1741001652 ALQCQKCBSVAFCU-INIZCTEOSA-N 427.596 1.687 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(O)CCOCC1 1741685501 WONFFAQNVYTTNG-MOPGFXCFSA-N 438.532 1.701 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1741994229 NWFUJWQUUHIJDK-BVIKNXMNSA-N 430.553 1.840 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)N(C)C)CCO1 1748208474 BEFHODHQRABTEN-VQTJNVASSA-N 439.564 1.744 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2(C)CN(C)C2=O)c1 1748692748 NILYHKCBGTZFTL-GAJHUEQPSA-N 436.516 1.317 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1748905780 JJLSDIOQSQLGHJ-INIZCTEOSA-N 427.534 1.582 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cnccc2OC)CC1 1749010707 VRUWYONFTYVIPK-FQEVSTJZSA-N 438.532 1.937 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1749039199 QJQYFFRTGNLXKQ-SFHVURJKSA-N 448.618 1.660 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749408754 LDDBBXMOXCSDFO-MRXNPFEDSA-N 447.565 1.657 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749461808 XDEWIZHMDGZWBH-HNNXBMFYSA-N 432.550 1.529 30 10 IDEE C=CCN(c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1749522016 YTOSJXGWKKOUSX-NRFANRHFSA-N 432.546 1.582 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1749638857 DGOWQFYEAPXMJX-MRXNPFEDSA-N 432.550 1.619 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749656022 XTFYSLBVJLTKLC-DOTOQJQBSA-N 428.924 1.958 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)OC)CC1 1749660451 PKYDBIZBZBIWMS-UHFFFAOYSA-N 441.488 1.408 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 1749669732 JQSFBQFZCZLBGS-AEFFLSMTSA-N 426.496 1.740 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1750383822 DOBOOYOLQHOFRL-QZQOTICOSA-N 433.472 1.855 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1751023896 WRFHWWNZPIBJGV-VTFIKYRWSA-N 444.536 1.834 30 10 IDEE C[C@H]1C[C@@H](C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1751995038 RARRFSMCKLUCDL-IFLXBWGOSA-N 441.536 1.523 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1760188656 PZZUVQZASNBYOS-GPQLOAJWSA-N 449.577 1.061 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1760263827 QHCNPFUMTRDDTA-UHFFFAOYSA-N 438.454 1.954 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760346313 RTKXAVDYIGDUIL-QWHCGFSZSA-N 435.472 1.261 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760445787 VVDWQJLQUNLCOF-FPOVZHCZSA-N 446.596 1.713 30 10 IDEE C=CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1760472238 ADUGCPFNAYNRAT-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1760520928 DRYAYKFSDNPCIQ-RBUKOAKNSA-N 437.548 1.242 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760804694 ATEWPUYIHAZPAJ-BGVPPVBASA-N 434.610 1.896 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1761360241 IURCSJJHADYTQV-CYBMUJFWSA-N 434.522 1.569 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1766933618 ZYGXWTXZFKWSCI-UHFFFAOYSA-N 433.507 1.782 30 10 IDEE C[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1770679819 ZQLRLCRXFZNWCT-HNNXBMFYSA-N 432.550 1.994 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1771534499 CYICKIVETZKZKO-UHFFFAOYSA-N 442.430 1.727 30 10 IDEE C=C[C@@H]1CCCCN1C(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1848786477 VLSDYDQEKKESKY-GOSISDBHSA-N 435.546 1.347 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@H]4[C@H](COCC(=O)N4C)C3)n[nH]2)c1C 1849760837 GZUHBRRKPQYNDQ-LPHOPBHVSA-N 426.521 1.785 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1850813620 FHKOPSCDYWBVMU-MRXNPFEDSA-N 434.436 1.123 30 10 IDEE CCCN(C(=O)[C@H](C(C)C)N1CCS(=O)(=O)CC1)c1nc(C)c(C(C)=O)cc1C#N 1852058550 RVKDMVFWIFPJJF-IBGZPJMESA-N 434.562 1.962 30 10 IDEE CC(C)(C)N1C[C@@H](C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)CC1=O 1853178107 MIUIRATXEGWYOT-ZDUSSCGKSA-N 439.969 1.980 30 10 IDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(Br)cc2)CCN1S(=O)(=O)CC#N 1854693644 FTCDCHVQZOKEOH-LBPRGKRZSA-N 428.308 1.294 30 10 IDEE COc1cccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@@H](C)C3=O)cc2)c1 1854721991 DCZAZKWCHSJFPR-HNNXBMFYSA-N 427.482 1.888 30 10 IDEE C[C@H]1C(=O)N(C(=O)CCS(=O)(=O)c2ccccc2)CCN1Cc1ccc(C#N)cc1 1855643672 HWPAOTARLNTNBP-KRWDZBQOSA-N 425.510 1.982 30 10 IDEE CS(=O)(=O)C1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1857198377 IEIWGBSUMFSCCO-OAHLLOKOSA-N 437.949 1.904 30 10 IDEE C/C(=C\C(=O)NCC(=O)Nc1ccccc1C#N)c1cccc(S(=O)(=O)N(C)C)c1 1868149474 FWUBDKLZBZXQTI-RVDMUPIBSA-N 426.498 1.967 30 10 IDEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110796 IZQVGPTXWSNLGU-UHFFFAOYSA-N 449.358 1.480 30 10 IDEE C#CCn1ncc(NCCOCCN(C)C(=O)OC(C)(C)C)c(Br)c1=O 2106111775 MSMIKIRRCSBNBR-UHFFFAOYSA-N 429.315 1.934 30 10 IDEE Cn1ncc(Br)c1S(=O)(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107455347 DFEWHBSWYGGSQY-UWVGGRQHSA-N 432.149 1.895 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247826247 QQWXBBCYHTTXCV-LBPRGKRZSA-N 441.359 1.400 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@@H]21 2255618855 KPDRTGKSZYSPOW-GJZGRUSLSA-N 432.330 1.933 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628965 PEHFASNZTHYTKE-QWHCGFSZSA-N 438.309 1.786 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2255637086 DFIQQEAVFVGDDV-UHFFFAOYSA-N 434.346 1.721 30 10 IDEE COC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CN(C(=O)OC(C)(C)C)C1 2255702404 GAKSDVHWJTYYAL-UHFFFAOYSA-N 435.330 1.680 30 10 IDEE C[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255808932 PYOQZBSSJFYGJE-QWRGUYRKSA-N 447.288 1.971 30 10 IDEE Cc1c(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834489 NTLNGNRJJPKHEO-UONOGXRCSA-N 434.346 1.671 30 10 IDEE Cc1cnc(NCC(CO)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2258308323 IIMAQCZWMGKPTF-UHFFFAOYSA-N 437.346 1.349 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267185485 VVFTVCBIKNMSKJ-AWEZNQCLSA-N 448.325 1.775 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2267186875 PYFHLBDUIXPPMD-SFHVURJKSA-N 445.222 1.803 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267275550 PGTAVYQIQPQJBO-UONOGXRCSA-N 449.361 1.538 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)CN2C(=O)OC(C)(C)C 2267495132 JJLGSDJEDFTFHE-CABCVRRESA-N 446.357 1.801 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2271396521 YIBIOKOTQQFCBU-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(C3)CC3(C4)OCCO3)s2)OC1(C)C 2282852540 QGUSAOKVGINUCL-UHFFFAOYSA-N 441.380 1.965 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)c(C)n1 2296610029 KTFXULDRYYJNEC-HXUWFJFHSA-N 437.500 1.632 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2315534252 RCQPILQATJSMEE-MELADBBJSA-N 432.330 1.457 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2315606711 MUZHBLOZITZUPS-CQSZACIVSA-N 434.346 1.801 30 10 IDEE N#Cc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 11796291 OJGQXNASENMBAJ-UHFFFAOYSA-N 430.505 1.969 30 10 IDEE C=CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCCO3 13795143 PVCLPCDJJVROLR-UUPHZHHOSA-N 437.543 1.901 30 10 IDEE N#Cc1ccsc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 24168018 PHJYMTLDXBVSKJ-UHFFFAOYSA-N 449.514 1.863 30 10 IDEE CN(C)C(=O)c1ccccc1N/N=C1/C(=O)N(C(N)=S)N=C1c1ccc([N+](=O)[O-])cc1 59461652 MDTNSAJQQWZVIA-CJLVFECKSA-N 439.457 1.555 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C(C)C)c3C)n2)o1 59881756 SFGHXGSPUICQGA-IFRROFPPSA-N 446.541 1.999 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1 102755860 JIPPHVCPVRLHEZ-HQMFNGAOSA-N 425.489 1.186 30 10 IDEE CCOc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)N(C)C 443345236 UAKZQLKLQJWBIT-UHFFFAOYSA-N 436.534 1.720 30 10 IDEE Cn1nnnc1-c1cccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 445719848 BZGZHEJUZLAJKL-UHFFFAOYSA-N 439.501 1.812 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 477793106 RPPMLYDSYWXVMX-SFHVURJKSA-N 435.546 1.395 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCC3CCN(c4ccccc4)CC3)CC2)c1 484133510 NLYFLHVAWSQUMV-UHFFFAOYSA-N 432.528 1.635 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CCC#N)CCCN(C)C)C1 499337154 IMYUJOVBCAIIDV-KRWDZBQOSA-N 425.555 1.386 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508816518 JJAXOOFWJOKUKP-ICSRJNTNSA-N 449.519 1.045 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)o1 514492298 MHSMNWGCABFGMC-QGZVFWFLSA-N 427.526 1.552 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)ccc1F 517154607 VNWYFJFIUOQEAH-QGZVFWFLSA-N 443.544 1.812 30 10 IDEE C=CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 518521347 UIEIIZKKWOEAST-UHFFFAOYSA-N 428.580 1.219 30 10 IDEE CSC[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 521945775 JJTJGTGESCQGLA-KZNAEPCWSA-N 441.557 1.509 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)(C(=O)OCC)CC1 549694157 XKJZQGNJSGRWKW-INIZCTEOSA-N 440.566 1.552 30 10 IDEE COc1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCOC3)CC2)ncn1 559237858 WPKIPUUZQPOLOM-GOSISDBHSA-N 446.515 1.978 30 10 IDEE CCOc1cccc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 561834926 UEUFCIJZNDLQFV-OAQYLSRUSA-N 434.496 1.533 30 10 IDEE Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC[C@@H]2CCOC2)c1 562164204 GDPFBQRIJZQHQP-GOSISDBHSA-N 443.525 1.877 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 569327244 QZWJAKKRESIVLC-UHFFFAOYSA-N 442.516 1.773 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccccc1C 603800046 QKJFIYWLKXUPCI-UHFFFAOYSA-N 446.488 1.921 30 10 IDEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670199498 WSQHHCMJWIANLJ-GOSISDBHSA-N 432.550 1.459 30 10 IDEE C[C@@]1(c2ccc(Br)s2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732672829 NURJTGFUTDHZNG-SJCJKPOMSA-N 438.351 1.907 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735295043 NWIVZBBUADDNRC-UHFFFAOYSA-N 435.461 1.346 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 749501473 AEHUTTMTEASZHK-UHFFFAOYSA-N 441.415 1.986 30 10 IDEE C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1ccncc1 749781629 XUJAPLDPSGHOPD-QIRSZLOZSA-N 443.529 1.753 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2[C@@H]3CCCC[C@@H]23)CC1 750916500 PKGANZLTLQNSRX-IAGOWNOFSA-N 431.514 1.371 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 754385024 MGOJLMIUPBCWQG-UONOGXRCSA-N 440.497 1.464 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC(F)(F)C2)cn1 757925620 UVPMQVGARANCAQ-AWEZNQCLSA-N 441.504 1.887 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1 758563017 UJTNTUVPMNQCST-KSSFIOAISA-N 439.493 1.056 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cn1 764744211 CBPURJFOHDUPTQ-UHFFFAOYSA-N 439.448 1.525 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 774353207 ZLTJDCSMZGJUKH-INIZCTEOSA-N 438.502 1.391 30 10 IDEE COc1cccc2[nH]cc(CCNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c12 778066429 QWRWJFVLNXGVNR-UHFFFAOYSA-N 426.498 1.964 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1 782464948 ZRHORUBUSYMGJS-UHFFFAOYSA-N 426.498 1.484 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(CCc2ccccc2)c1=O 782625872 MMNNKNIMCWLYIF-UHFFFAOYSA-N 440.326 1.675 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)N1CCCCC1=O 788617671 ZCQSBICMEUCAPG-RDJZCZTQSA-N 434.562 1.801 30 10 IDEE COc1cc(Br)c(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)cc1OC 796618603 KEEYQLXSWICVOX-UHFFFAOYSA-N 426.248 1.852 30 10 IDEE C[C@@H](C(=O)OCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)n1cnc(C#N)n1 798743522 ILJIYXXNAIAMJX-AWEZNQCLSA-N 425.445 1.611 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)c3ccc(OC)cc3)n2N)cn1 1084127007 TUEQNMSBQQFTAC-UHFFFAOYSA-N 430.494 1.264 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(C#N)c3C)CC2)cc1 1130865889 XSUXGKCGZHFTFV-UHFFFAOYSA-N 442.541 1.757 30 10 IDEE C=CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCOCC1 1130902034 HIOJJVMLDRQSEU-MRXNPFEDSA-N 434.514 1.865 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1132192467 HWWRCARJNDZHDQ-MRXNPFEDSA-N 430.910 1.512 30 10 IDEE C=CC[S@@](=O)(=NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 1134654328 CRBOTKDZVSIBML-LJAQVGFWSA-N 447.538 1.660 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1152973456 KIJROJPHCLTLLA-QGZVFWFLSA-N 448.545 1.137 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 1154958916 MLCBWVRVRASJGD-OAHLLOKOSA-N 428.352 1.331 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C(F)(F)F 1155628781 KCBVIQVVDLAVJE-MRMLTLRBSA-N 446.426 1.817 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OCC 1211880817 COOUHEOHUWUAID-LBPRGKRZSA-N 431.312 1.976 30 10 IDEE COc1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1S(C)(=O)=O 1219139060 AIMYAAVXVZNNLE-TZMCWYRMSA-N 438.506 1.979 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1286296898 SJKPLPRLIYXNFB-IRXDYDNUSA-N 448.568 1.913 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1286392329 GQGQNECABYUSLH-AWEZNQCLSA-N 427.452 1.929 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1286432067 WTERHDZDCUUTNN-SFHVURJKSA-N 433.578 1.654 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1286446420 FUINGEBLKGKWCW-IBGZPJMESA-N 447.561 1.518 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCOC(C)(C)C1 1286468581 BOZBTPIJNYDALE-UHFFFAOYSA-N 429.569 1.337 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286483505 NPYUAOLSCVWJFZ-QHCPKHFHSA-N 440.523 1.203 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1286707846 KVWHLIFDQYWJMY-QGZVFWFLSA-N 437.508 1.215 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286785553 GNQSIDHBQINUGK-AEFFLSMTSA-N 432.569 1.605 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 1286789378 RLNFDBRSULTWOG-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1286791109 NECNQEJYCZBOLD-MRXNPFEDSA-N 430.557 1.607 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1297998312 GUOHNESEZCYEGC-JOCHJYFZSA-N 434.504 1.390 30 10 IDEE CN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298343243 LEPXSHXXYYZHLX-VZCXRCSSSA-N 449.515 1.677 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1300479572 POEBMIYYHOMZJE-ULQDDVLXSA-N 437.541 1.279 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1300488901 HVNIBWYBHNJOMA-LJQANCHMSA-N 441.557 1.631 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@H](CO)O1 1300641149 CJZAPIMHEDXZOL-RBUKOAKNSA-N 429.496 1.735 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1300732260 ABHBEILFIWWYRP-RDJZCZTQSA-N 441.623 1.650 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1300756800 UBEQACYBJAYPMA-OAHLLOKOSA-N 444.521 1.542 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1300873247 IMNKMKGTMRJHOO-WBVHZDCISA-N 439.582 1.411 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1301033170 GHNRTEDBIDWDSC-UHFFFAOYSA-N 437.957 1.659 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1301152190 WCMXBLFNMMVHEU-OAHLLOKOSA-N 429.612 1.767 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 1301359271 ZCGRWBIGHNKOGW-UHFFFAOYSA-N 446.504 1.351 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301503162 UWMAOOOBWUGZFE-ICSRJNTNSA-N 445.612 1.158 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1301514756 MPFLUABHRDWTAE-YJBOKZPZSA-N 433.484 1.539 30 10 IDEE CS(=O)(=O)CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1302447973 BMNRXNYVTBTTKF-LJQANCHMSA-N 449.512 1.582 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1304970255 IULGCWLWYGIOKT-RVKKMQEKSA-N 448.549 1.749 30 10 IDEE O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N(O)Cc1cc(Cl)cc(Cl)c1 1306894758 XHZNSODQPCYCOY-CYBMUJFWSA-N 434.301 1.877 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1308163456 LTKCNAVAHUBPHV-KBXCAEBGSA-N 443.447 1.758 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1316251879 JIHONNMZQTXZDO-KRWDZBQOSA-N 433.534 1.351 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C(=O)N2CCOCC2)CC1 1339110164 ICYXMMPLPCYNJU-GOSISDBHSA-N 429.521 1.400 30 10 IDEE CO[C@@H]1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)C1 1343449210 UGYJMIVHOGOHJD-BRWVUGGUSA-N 430.530 1.953 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358871290 CJRSWKFXMOJLQS-ULQDDVLXSA-N 444.561 1.399 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(N(C)C)nc1 1358880253 IIYSEVRXVBXKLI-MRXNPFEDSA-N 428.504 1.888 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358959589 LWCQJTDCMXGHGQ-KKSFZXQISA-N 446.529 1.462 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1359014511 LLACOENNTXKONM-OKILXGFUSA-N 440.495 1.890 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359244475 FIEBYRIRESALQF-INIZCTEOSA-N 435.550 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359297473 RJXPOKOZHNLBQC-UHFFFAOYSA-N 448.531 1.011 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359330160 JDKAZMZLMTXPTQ-AWEZNQCLSA-N 431.440 1.708 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1359334009 QQPRLOXADYGUFT-OAHLLOKOSA-N 435.525 1.276 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1359551025 YAJAOODOEXXANV-UHFFFAOYSA-N 435.532 1.933 30 10 IDEE C[C@@H](C#N)N(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CC1 1437467352 IESBFBFJBMUUIW-AWEZNQCLSA-N 432.502 1.672 30 10 IDEE C#CCN(C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)[C@@H]1CCS(=O)(=O)C1 1459746026 XNNPBVXJKVVNGX-MSOLQXFVSA-N 444.475 1.289 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 1471745228 AANBSDLAGRVNES-CRAIPNDOSA-N 442.497 1.709 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1471820184 IXDINKLJVYFHNH-AZUAARDMSA-N 449.467 1.921 30 10 IDEE N#Cc1cc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)ncc1Br 1472762055 AUMOTQGNGWWZIX-UHFFFAOYSA-N 442.261 1.671 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1475369982 MXBSVDOBKOJADC-INIZCTEOSA-N 439.534 1.517 30 10 IDEE C#CC[C@H](COC)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1477969331 GEROIKIWFHDBGJ-MRXNPFEDSA-N 439.534 1.194 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1507579885 KLSKASXSTCXVJR-UHFFFAOYSA-N 431.518 1.559 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2ccnc2C)CC1 1507718093 BACOYADMIMQJDC-QHCPKHFHSA-N 441.580 1.669 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCC(=C)C)CC1 1507726713 KSGVEROIWUHNID-UHFFFAOYSA-N 428.562 1.618 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1507739433 PXXBKBDDKHAWID-FUHWJXTLSA-N 430.553 1.053 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nccs2)CC1 1507741588 XOLUJJOOPMGRRJ-WMZOPIPTSA-N 444.561 1.473 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC(=O)N(CCOC)C1 1507760326 XQWPAERTJGDTJL-GAJHUEQPSA-N 444.580 1.684 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1507791933 BZUUGQQIKJNYNG-SUMWQHHRSA-N 428.331 1.506 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1507868333 HWFUJMMYMXQGBQ-MRXNPFEDSA-N 447.989 1.352 30 10 IDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507934610 HUOSOADYRCOVNZ-QGZVFWFLSA-N 425.537 1.959 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1Cc1nnn(C)n1 1508006686 UMOKMLAVRSTRCO-UHFFFAOYSA-N 425.472 1.304 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CC(N)=O 1508134905 IHCKLUHLLRYRQM-ZDUSSCGKSA-N 425.942 1.899 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1519368395 HDUQUDNFEFGWIJ-SIKLNZKXSA-N 426.521 1.125 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1521082409 FWXXQMHJILKGIM-OAHLLOKOSA-N 447.421 1.306 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1OC 1521192577 IERGBLVVJSYXBG-GDBMZVCRSA-N 446.504 1.852 30 10 IDEE Cc1c(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cnn1CCC#N 1532581554 HDOUUUIILYABCT-CVEARBPZSA-N 427.427 1.793 30 10 IDEE N#C[C@@]12CN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)C[C@H]1CS(=O)(=O)C2 1536179070 AUYABYRDHQLCAO-SJCJKPOMSA-N 438.918 1.879 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539223072 ZCEOJTWSWSSLNE-GUDVDZBRSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539226518 ZPBRAEYOCVRHHS-RTBURBONSA-N 431.562 1.562 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)CC)CC1 1539434344 IMLSKJWGLOYZQR-UHFFFAOYSA-N 447.561 1.152 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1539461741 KADYQMYCHZHQIS-QFIPXVFZSA-N 426.496 1.230 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCOC[C@@H]2C)CC1 1539462835 MACMKSIGBNDIGE-PWRODBHTSA-N 444.624 1.673 30 10 IDEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1539506505 JTVNCMIXPPTJMM-UHFFFAOYSA-N 429.546 1.997 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539902391 GHMCEVBXQVMOCJ-NVXWUHKLSA-N 440.614 1.795 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1540903104 YMVAOFIJJUKDDQ-UHFFFAOYSA-N 439.582 1.268 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)CCOC1 1541733861 WWDXXCNXFKYHGA-XMSQKQJNSA-N 448.568 1.158 30 10 IDEE COCC(=O)NC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1542547985 CNOXZWCLLLJDIP-BXFSZVDSSA-N 434.537 1.527 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 1542578485 OIOXDQUNGKIVBA-APWZRJJASA-N 434.562 1.996 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1555452030 NQBBNEMVODAFLW-AEFFLSMTSA-N 437.504 1.668 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1555742831 MJLUJBJBBRFRJO-XGHQBKJUSA-N 436.532 1.555 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCN2CCOCC2)Cc2ccco2)c1 1557030138 WFUVLSNRFOMDFI-UHFFFAOYSA-N 435.477 1.691 30 10 IDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)CC(=O)OC(C)(C)C 1559975890 BZFWXKSONMPJSY-UHFFFAOYSA-N 437.562 1.933 30 10 IDEE C=CCCCS(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1561862841 VQOOBOSUXHCRDW-OAGGEKHMSA-N 429.539 1.797 30 10 IDEE C#CCN(C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1564733271 XEUIELCSULOKPN-OAHLLOKOSA-N 427.567 1.996 30 10 IDEE N#C[C@@]12CN(C(=O)NCc3cccc(COC[C@@H]4CCCO4)c3)C[C@H]1CS(=O)(=O)C2 1565107386 BZIBHZXKSWCGOH-ZJOUEHCJSA-N 433.530 1.462 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccn(-c4ccc(Br)cc4)n3)C[C@H]1CS(=O)(=O)C2 1585139276 VBVVTQBUSMZOIE-SJCJKPOMSA-N 435.303 1.645 30 10 IDEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1587788133 XBWZLEQBLFFBPM-GOSISDBHSA-N 436.516 1.116 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1588120702 RSZCNKLRVUMEJH-NRFANRHFSA-N 442.571 1.962 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncc(N4CCCC4=O)c3)CC2)cc1 1588157818 HVUFTHYLZOFZSN-UHFFFAOYSA-N 439.497 1.227 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCc1n[nH]c(C)n1 1588581548 WANDWDIGVJOMDK-UHFFFAOYSA-N 447.341 1.801 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1589530272 UKAQMZJYJPDWKX-POAQFYNOSA-N 444.580 1.951 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1593806686 CZZXQNPHXUXZHO-UHFFFAOYSA-N 433.900 1.409 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@](C)(C(N)=O)C1 1595536528 CSHWHVHBXAQXOD-QFIPXVFZSA-N 435.488 1.604 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595555509 APZJOPDTRRDISL-LSDHHAIUSA-N 435.475 1.689 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595577362 QJXXMNQYTORDJU-GOSISDBHSA-N 438.532 1.587 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1595577643 ZJGBCPWUZVOJGD-UHFFFAOYSA-N 446.939 1.775 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1595613674 GUBCTGLXUJISIA-SJLPKXTDSA-N 445.545 1.466 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)C1 1595729544 NERPWKSNQSBSQD-YJBOKZPZSA-N 449.533 1.121 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C1CCC1 1595758849 CJPNPMGMABCIFE-HOCLYGCPSA-N 445.611 1.258 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOCC1 1597131904 PAAOTGUBQICEAS-UHFFFAOYSA-N 438.580 1.891 30 10 IDEE C[C@]1(C#N)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CCO1 1598177299 APIHBSFZFVZDHM-KDOFPFPSSA-N 427.548 1.428 30 10 IDEE CC1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1611785043 FQFYKWLVHRBJFT-UHFFFAOYSA-N 432.550 1.904 30 10 IDEE CCN1CCN(CCCn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1615887879 KKTZLQJNRITELR-UHFFFAOYSA-N 438.580 1.964 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1617594944 IESLDUJPJDFWRI-UHFFFAOYSA-N 435.532 1.744 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1618327942 HDRKGPHVEDTXKZ-GWOGKKTRSA-N 432.525 1.907 30 10 IDEE CN1C[C@](C)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1618458300 LOENQZBFXJBNCD-DYESRHJHSA-N 442.545 1.167 30 10 IDEE C=CCN(C)CCN(CC)C(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1618822601 PMPJPDBTGZIYQL-TZIWHRDSSA-N 437.606 1.900 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1620175324 KWUUQLLTXKLMTN-UHFFFAOYSA-N 447.540 1.432 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)cc1 1622151905 IEGDBAFZVMOHLN-UHFFFAOYSA-N 438.527 1.947 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)n1 1626715360 YKUHQYMPRTZYAE-IBGZPJMESA-N 434.537 1.907 30 10 IDEE CCOC(=O)[C@@](C)(O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1633526629 YGSZPFGYSAFSSC-JTSKRJEESA-N 431.489 1.823 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1635692878 OSJKLAGQAKCNLH-AVYPCKFXSA-N 434.493 1.466 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2C[C@H]21 1646092667 FVRSMPQZXJQEQC-HZPDHXFCSA-N 448.545 1.726 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OCC 1656400615 SKDXJQICEAYADF-CYBMUJFWSA-N 428.891 1.550 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(Br)cccc1OC 1661543970 GZAFEJPDEQCLML-GFCCVEGCSA-N 438.365 1.963 30 10 IDEE COC(=O)c1cc(OC)ccc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1662687109 DRHQNBNXRVSXDR-WFASDCNBSA-N 439.490 1.519 30 10 IDEE C#C[C@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1673018588 PGXJZACPXILDPY-KRWDZBQOSA-N 448.545 1.174 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](CC)Oc2ccccc2Cl)CC1 1678491102 ANRLAZXXNJPYFM-OAHLLOKOSA-N 428.942 1.292 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CO1 1686342026 VYGLKOUQMUIWMD-IAGOWNOFSA-N 429.477 1.509 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1689847977 MLJOXIRMSFLDLK-IQMFZBJNSA-N 433.516 1.611 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1689887243 UNQNEKAWVCQMOP-MRXNPFEDSA-N 433.516 1.662 30 10 IDEE C#CCCCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1689941342 NAXZJDMVQZSERS-KXBFYZLASA-N 443.470 1.848 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1689989746 IFZFJVOJCICZPC-RTBURBONSA-N 444.557 1.856 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@@H]1NC(=O)NC1=O 1690097931 RQPCBXDKCFWXNX-INIZCTEOSA-N 448.886 1.812 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690667742 GFGQMXZOZAEPIM-OAHLLOKOSA-N 437.508 1.217 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1691477233 KRZJPPPEMMDHRP-UHFFFAOYSA-N 432.550 1.460 30 10 IDEE CC[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694867349 KWOCXKBCWGGGDN-BZROSYFNSA-N 441.536 1.553 30 10 IDEE CN(C)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1696604915 ZPTLDTOVCOKXHO-INIZCTEOSA-N 431.928 1.833 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1 1697823637 QXYJXNCIKWGVON-UHFFFAOYSA-N 436.516 1.882 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCC(=O)N(C)C 1705556607 IUAOPUZVEKEFIW-UHFFFAOYSA-N 437.592 1.581 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705566611 POVMDCMFEOWIGY-MDYRTPRTSA-N 434.566 1.102 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1705581292 ZZTXLXIBAKWZQK-UHFFFAOYSA-N 431.500 1.180 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1705589473 RCGWEZPMKIRNFJ-IIBYNOLFSA-N 447.536 1.398 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[C@H](O)C2)n1 1705631557 IRDVSBZMSXXHCF-SBHAEUEKSA-N 442.564 1.816 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1705638836 YLDKORXQHBAGOF-HXUWFJFHSA-N 436.560 1.971 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2CC(OCC)C2)CC1 1705648297 QCVGKOZQQKIWEC-SYYJFZTOSA-N 429.565 1.953 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1705880213 YLGVEHTWNNJVBD-OXJNMPFZSA-N 436.534 1.160 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705899902 KEYIXXAIGJIHQL-KRWDZBQOSA-N 438.532 1.847 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705908001 FFZWGLRBYFMQKY-UHFFFAOYSA-N 430.528 1.968 30 10 IDEE CCOCc1nnc(N2CCc3ccccc3CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1710701192 PUTRNGZWKPCLSF-QURGRASLSA-N 436.516 1.946 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1711288829 QATJXUNSZJWWDH-UHFFFAOYSA-N 432.550 1.460 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1712421853 JUCGPLWZEDNETR-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1722300263 BYHSWOFWBCRBEN-INIZCTEOSA-N 425.624 1.847 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCCn2cnnn2)c1 1722305813 VIZOJNUUAXDRSP-UHFFFAOYSA-N 442.487 1.473 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1722404230 VQZBJNBNDOWYPJ-GOSISDBHSA-N 426.901 1.747 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722439819 QSWCIRLIAXLLPP-IBGZPJMESA-N 441.605 1.648 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722462348 MJZSDBTWJUEMDB-HXUWFJFHSA-N 446.602 1.598 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCS(C)(=O)=O 1722494134 MYXNEJBQNUCGNX-IRXDYDNUSA-N 439.582 1.366 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1722678011 SDQWQLMEFFQQIP-UHFFFAOYSA-N 434.562 1.832 30 10 IDEE CC/C=C\Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1727865032 UWNVGAQXYIPMOI-DDKKJVIOSA-N 441.561 1.740 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)C1 1731180408 BBIRDZQYEFSAIV-GPMSIDNRSA-N 441.529 1.065 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740531129 FWJPHZMHBWHZBD-JKSUJKDBSA-N 442.486 1.625 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1740619911 ASLCWLAHFAFHME-CQSZACIVSA-N 447.471 1.607 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1740646359 WUHQEFKEQFPQRA-SFHVURJKSA-N 435.594 1.948 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(N(C)C)CCSC2)CC1 1740703948 DKRDSEKFDAXPEE-JOCHJYFZSA-N 441.605 1.676 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1740751229 ICCSDIAJGXFINH-GJYPPUQNSA-N 432.569 1.845 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740885520 IUEFWLSCBNOLKE-MRXNPFEDSA-N 427.571 1.235 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1740889791 LALFDHUAYAMWRD-UHFFFAOYSA-N 441.517 1.504 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1740932794 VWZVFCXGALWFHR-SFHVURJKSA-N 433.534 1.543 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1740963585 PHKNRZKCRDYYKQ-UHFFFAOYSA-N 435.532 1.705 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740991467 XFAGJQFYXYXCAG-GOSISDBHSA-N 447.561 1.856 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1748846473 HFDVGEFWWAQNPC-GOSISDBHSA-N 442.541 1.513 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1CC 1748888032 MFDJNZVIWVBERR-UHFFFAOYSA-N 427.472 1.717 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1749001193 LGUIEUDQQXTMLA-HXUWFJFHSA-N 443.573 1.531 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749362864 WQTUCAXOCILQPC-AHRSYUTCSA-N 428.512 1.958 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749702556 ODQVHHDTXGKIGP-WOJBJXKFSA-N 431.585 1.665 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(Cl)nc2C1 1749730949 WVABGDBWXUFGSD-UHFFFAOYSA-N 447.952 1.891 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC2CCOCC2)c1 1750381685 ARQJUOOYWIOBNY-UHFFFAOYSA-N 429.546 1.971 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H]2C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1750959323 DZQGYAUYNBMSOZ-DXQAYGFFSA-N 429.525 1.568 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCCO1 1751241212 RCZQFJKYWAPJDN-NQYYFHDYSA-N 444.561 1.811 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1760137153 FPUVKEBJTQQXEZ-AWEZNQCLSA-N 441.508 1.477 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1760159084 ZCEDHEYBCSWBLI-UHFFFAOYSA-N 434.500 1.936 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760180912 MZBSOSBEMMOFAC-CZUORRHYSA-N 436.456 1.119 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760188762 MLADYKNXWJFFTQ-OAHLLOKOSA-N 443.558 1.483 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1760190243 ZFQQIDNIKKQWEV-UXHICEINSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1760193973 ALNLLUJMUJJLPJ-MRXNPFEDSA-N 430.534 1.192 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1760197260 YWMJTSLFOVZPPX-XMMPIXPASA-N 435.528 1.801 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1760248638 PDFGBIYZQKMUAG-SJORKVTESA-N 448.568 1.865 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760451020 YCQPYWSTKCTWON-VGSWGCGISA-N 446.552 1.927 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760520116 YVXQQUHZIZMKIY-GOSISDBHSA-N 434.504 1.159 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cnn(C)c1 1760558228 JPNQENFOHVTURP-AWEZNQCLSA-N 438.464 1.800 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568541 LSVNHICZULPUDY-OXJNMPFZSA-N 436.582 1.452 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761040814 BSVURWWSTNZMRT-UVTIVQHFSA-N 442.442 1.771 30 10 IDEE Cn1cnnc1[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1767501864 HFSMYCXPGSPZOU-QGZVFWFLSA-N 440.533 1.721 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1768229387 HSKPELABEOMXNN-UHFFFAOYSA-N 447.561 1.619 30 10 IDEE COc1cc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc(OC)c1OC 1768278779 ZBHPCPHBQNQLDC-UHFFFAOYSA-N 438.444 1.420 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)C1 1769170556 CDRSSTGPBYLCHQ-OPAMFIHVSA-N 426.521 1.974 30 10 IDEE CNC(=O)c1ccc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1769177122 JQAGVONQVOCAAM-QOCHGBHMSA-N 449.515 1.678 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1770360615 LGVCFVGICOJJGH-UHFFFAOYSA-N 439.501 1.029 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCN(C)C1 1771100089 GIKZLZUDNFWALK-XMMPIXPASA-N 447.543 1.931 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 1771304967 OSYYVUJOYMBCNR-ZBPHCFQXSA-N 427.505 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H]1CC 1772660242 MMRSHUMGHPNSGM-KRWDZBQOSA-N 442.549 1.900 30 10 IDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCN(C)C1=O 1848779749 MCYIRTYUOUFMAF-SMDDNHRTSA-N 434.345 1.906 30 10 IDEE Cc1nc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)c(C#N)c(C)c1Br 1851467381 YRKQUFZKVBNVFN-UHFFFAOYSA-N 426.278 1.957 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(Cc4nnco4)C3)CC2=O)c1 1854096459 BMSUZHPACINPSF-HNNXBMFYSA-N 428.880 1.348 30 10 IDEE Cc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1C#N 1855972856 QZGDZYHFUKNJNM-UHFFFAOYSA-N 425.466 1.617 30 10 IDEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCNC(C)=O)C2=O)cc1OC 1863165143 RQBJEBUSAXHVCA-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 1866805841 NPJYPPYEKSWWON-CQSZACIVSA-N 442.497 1.824 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 1890352138 YIFDNFKLQNFLNO-UHFFFAOYSA-N 427.517 1.385 30 10 IDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)c1 1891738909 XRGLKBHQFLIZBV-ZWKOTPCHSA-N 432.546 1.775 30 10 IDEE N#Cc1c(I)cc(I)cc1S(N)(=O)=O 2055358495 HOQTVFMXQYIGIL-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCN)s1 2108227671 JLNYNTYPFHABCN-GOSISDBHSA-N 436.490 1.219 30 10 IDEE Cn1nc(C(=O)NOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247838371 HBJKWGYRRHOSRL-UHFFFAOYSA-N 444.725 1.559 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254789795 FIVUCVBQLDOLQJ-INIZCTEOSA-N 431.342 1.941 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2255699032 MYAYZKRLPPSZCM-QLPKVWCKSA-N 429.326 1.976 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2255704937 OCIDDGUCAUUQPU-AWEZNQCLSA-N 437.346 1.662 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H]2C[C@H]21 2255843653 JUFDLJZKTAZQCW-LSDHHAIUSA-N 430.314 1.610 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267189262 YDUWUPYIMBUPGH-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)CC1=O 2327844250 FWWUVKYQRVVUIH-GFCCVEGCSA-N 432.506 1.263 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1C 2337191140 VVCRVLYXMRQUEB-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE C[C@]12CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C[C@@H]1C2(F)F 428741515 DYGRAXQXRMWRKM-HKUYNNGSSA-N 438.500 1.368 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 429301706 NYRXFCJMVGMDSF-DLBZAZTESA-N 429.521 1.232 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430971501 NSFXDSFVPVJWFN-UHFFFAOYSA-N 433.537 1.502 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 434545377 WJZFZAYTYIKRDV-KRWDZBQOSA-N 441.538 1.603 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)CC2)c1C#N 461186806 DIXOPJCIRMJVMT-GOSISDBHSA-N 445.570 1.825 30 10 IDEE COc1cc(N2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)ncn1 461347249 BLTTVYMZEFVXJJ-UHFFFAOYSA-N 433.434 1.794 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 501241559 BUDQHGDAWUOGAD-QGZVFWFLSA-N 448.951 1.014 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)cc1 504710587 CUFCTMPMCYDKRH-UHFFFAOYSA-N 444.491 2.000 30 10 IDEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 508883734 CFQDTUDQFJORPM-FQEVSTJZSA-N 437.592 1.757 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 522674800 JIZQXJHNSAGWJO-INIZCTEOSA-N 438.505 1.690 30 10 IDEE CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 533147171 ALEKPPQUWOZNTB-WWPVKYPJSA-N 428.581 1.390 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 541195220 LKSCSKGAMREMQB-SFHVURJKSA-N 439.495 1.454 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(Cc2ccccc2)c1=O 560429151 KQLJBWODCGHMCS-GOSISDBHSA-N 448.548 1.499 30 10 IDEE Cc1c(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cccc1N1C(=O)N[C@@H](C)C1=O 561748550 NWJGDVBQHVRXTP-AWEZNQCLSA-N 440.481 1.865 30 10 IDEE CC(C)CN(C(=O)Cn1cc(Br)cc(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 589258794 MWCSXVWFWCAECU-CQSZACIVSA-N 430.324 1.154 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)C1 619851308 BFEAXDWCFORTDO-QZTJIDSGSA-N 430.534 1.514 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCOCC 729670811 LBAYNFQIWRFHEA-UHFFFAOYSA-N 439.541 1.013 30 10 IDEE Cc1nccc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)n1 730142329 OEROFUNVGZHNIE-GOSISDBHSA-N 426.546 1.985 30 10 IDEE C[C@H](CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1)CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732650405 QGZIVPFCDWIHNR-UIFIKXQLSA-N 426.565 1.190 30 10 IDEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1C#N 747070131 OONGVOFZIRZJDA-UHFFFAOYSA-N 437.499 1.286 30 10 IDEE CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c2ccccc2O1 747495027 HHBRWJPOMOUSKO-HXUWFJFHSA-N 436.468 1.503 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749870821 VUUGLPULRDBOLW-OAHLLOKOSA-N 428.558 1.671 30 10 IDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC[C@@H]2CCCO2)c1 757684951 HUDYRZLSXBYYIQ-UAFUQJIBSA-N 428.489 1.878 30 10 IDEE COC(=O)c1cncc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 769010819 VXYMFRQNOXTYPE-INIZCTEOSA-N 430.486 1.960 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CCS(=O)(=O)C1 787371276 VPGFXIDITPAYMZ-RDJZCZTQSA-N 440.363 1.860 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 788591871 LPRPTAJULMQXPP-UHFFFAOYSA-N 435.955 1.105 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCSC2)cn1 790284670 FESKMZZCRBGXID-GOEBONIOSA-N 438.623 1.656 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)CCN1C1CC1 792988278 USHQWKDSVAYRSS-AWEZNQCLSA-N 449.483 1.528 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CC(=O)NCC2(C#N)CC2)(C(=O)NCC2(C#N)CC2)C1 797780869 VPMNUWCPWHDQGW-QFIPXVFZSA-N 429.521 1.844 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 812178361 DUYIFKYITUYTJZ-JKSUJKDBSA-N 436.557 1.981 30 10 IDEE C#C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1 1159761698 HWACAGGZPRVKIT-CQSZACIVSA-N 434.470 1.237 30 10 IDEE Cn1ccnc1C1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1175845109 KLHPCYRCIYZZTR-KRWDZBQOSA-N 428.562 1.174 30 10 IDEE CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1185163979 HMDWLEQBZROMFR-SNVBAGLBSA-N 425.301 1.658 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2c(Oc3ccc(F)cc3)nc3ccccn23)CC1 1207302501 PWIYDRDJHKYLRI-UHFFFAOYSA-N 443.504 1.851 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2OC)nn1 1230272673 YDTWHYHGAJKZRA-ZDUSSCGKSA-N 438.326 1.886 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1286273461 ITZQFWFBAWIRRO-ZSDSOXJFSA-N 431.924 1.859 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2CCS(=O)(=O)CC2)CC1 1286485845 ANPCNNFUYDWBQH-INIZCTEOSA-N 435.594 1.582 30 10 IDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1286662162 ZEDKBZZTQWERIH-UHFFFAOYSA-N 441.561 1.971 30 10 IDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1286779263 HKYYSVXZHDTGRF-UHFFFAOYSA-N 425.537 1.266 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1286786504 FGWIMDVAPJQKDJ-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1286825179 MUTGKOSNGGJWCJ-OXJNMPFZSA-N 442.582 1.535 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1286832421 STBYUXVPSUKFAU-HUUCEWRRSA-N 447.652 1.472 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1286968128 IZYZKMUAEYMEPC-ZJUUUORDSA-N 426.287 1.764 30 10 IDEE N#CCc1cccc2c1CCN(C(=O)c1cccc(S(=O)(=O)N3CCNC(=O)C3)c1)C2 1287461694 SYWHUKLMCQAJLQ-UHFFFAOYSA-N 438.509 1.072 30 10 IDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1287785812 NDHLUWYGRZYDFE-MOPGFXCFSA-N 431.452 1.706 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291616715 JPOUYXFGUSKVTO-QQMHEVNUSA-N 427.553 1.993 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1294779512 DATOEBOGHSVTCD-MRXNPFEDSA-N 439.520 1.770 30 10 IDEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1297489519 MZUSOEFMYBZZIU-GOSISDBHSA-N 441.511 1.993 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1298785081 XDTIBBUVVWDLNB-GOSISDBHSA-N 445.545 1.372 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c(F)c1 1300208197 CPLBHGCAASZVMX-AUUYWEPGSA-N 437.472 1.818 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300486828 CAQVQUJWDPQEJZ-FQEVSTJZSA-N 442.589 1.843 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300491985 KOFSOPRQLLNUMG-MJGOQNOKSA-N 442.589 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)on1 1300513175 UAKJCBPNMYWIHJ-UHFFFAOYSA-N 437.529 1.964 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@H]2COCCO2)n1 1300680806 FHWGQLULJQWDBE-VQTJNVASSA-N 444.536 1.418 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1300764478 WQVODLYVUMYMRZ-CRAIPNDOSA-N 427.530 1.859 30 10 IDEE COC1CCN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1300787159 UPOHPPVEDWZVGC-MJGOQNOKSA-N 432.569 1.790 30 10 IDEE C=C(C)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OC(C)C)CCOC1 1300969789 DSDWIZKRVQIHKQ-NRFANRHFSA-N 432.525 1.415 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1301017002 DWGBTKGZFZUXBL-STQMWFEESA-N 448.977 1.744 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1301483695 UOGCXIJZKSUVEP-INIZCTEOSA-N 433.516 1.806 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1301951580 BLVRKARZFPTUGX-ZDUSSCGKSA-N 427.900 1.634 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1OC 1302408799 FPUJQKGFDRGXTK-YTQUADARSA-N 445.545 1.492 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCN1CCC[C@@H]1CO 1304856599 OVRSNAGEOJSCGN-IEBWSBKVSA-N 439.568 1.200 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 1307910704 ZVJXTIQVNXFTTM-UHFFFAOYSA-N 427.545 1.993 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1358890450 PONIRGAPMWLOFF-MJGOQNOKSA-N 442.589 1.950 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358966543 RHQXGSHYSGQJNE-WSTZPKSXSA-N 449.621 1.357 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1358976303 YTLNDCABTKPNGH-QFIPXVFZSA-N 429.528 1.652 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N(C)C)nc1 1358982098 KHFVFXNXICXLOJ-UHFFFAOYSA-N 433.541 1.852 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1359010466 QNSLFDIFAPKWDN-JTSKRJEESA-N 449.552 1.852 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1359291219 IMPKJVGBFMSPAK-HNNXBMFYSA-N 442.524 1.363 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359293552 TVSABJAIJUPYOG-IHRRRGAJSA-N 435.447 1.460 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1359318177 YJXWPLHAKFWJJU-QZTJIDSGSA-N 426.521 1.616 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1359466618 FEBKRLREPTZFNP-HZPDHXFCSA-N 425.603 1.606 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1360469660 GAIVIJAIKQVQQO-OAHLLOKOSA-N 432.550 1.849 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1447359778 PLRGBVKNKYPIGW-SFHVURJKSA-N 427.505 1.817 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cnc2c(Cl)cnn2c1 1450447331 YVQNBFHJPMZERH-GFCCVEGCSA-N 432.893 1.280 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1452487606 OHBLEZBHLPAVMH-OXQOHEQNSA-N 442.541 1.568 30 10 IDEE C=CCCn1cc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)nn1 1455111254 WDHGXZOAPJEZNJ-OIISXLGYSA-N 446.508 1.509 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC4(CCOCC4)CC[C@@H]3CO)C2=O)cc1 1456055716 HPCIQTJFZGQTIP-RTBURBONSA-N 440.500 1.543 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN3C[C@H]4CCCCN4C3=O)CC2=O)cc1Cl 1461754652 OKOHQWSQYSAFSS-DOTOQJQBSA-N 429.908 1.971 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 1466320084 PCWIHJILXZQQLI-FQEVSTJZSA-N 430.567 1.636 30 10 IDEE CCn1nc(C)c(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 1470595119 YTMGFMWFPULOEH-UHFFFAOYSA-N 425.472 1.817 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(F)(F)CO1 1504887578 YFOFZDPHEVIYJG-ZDUSSCGKSA-N 438.435 1.796 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)c1cc[nH]n1 1505075038 WITIBLFBYHTFOG-HZUJVAHNSA-N 442.524 1.285 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCSCCCO)cc1 1505316327 HUGVDAYKCQIRMU-MSOLQXFVSA-N 442.545 1.867 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1507622271 CSQYLPDHUFLFQQ-INIZCTEOSA-N 449.964 1.745 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1 1507677655 FKXXJJUOCPJKOG-UHFFFAOYSA-N 426.521 1.391 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507695194 XEGPPPZKPAKKRP-KRWDZBQOSA-N 437.552 1.361 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1507734476 NTMABRASVGAQTR-UHFFFAOYSA-N 447.543 1.651 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1)C1CC1 1507993090 NUNWPYNCHDMTGL-WBVHZDCISA-N 441.623 1.909 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516804607 BWOCSTZFESUBPM-MRXNPFEDSA-N 449.968 1.605 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)F)CC1 1521109837 GFBZYEOOIKSHKM-OAHLLOKOSA-N 446.462 1.452 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cnn(CCC#N)c4C)CC3)C2=O)n(C)n1 1522236788 JOBMVTMCHCWDPI-LJQANCHMSA-N 438.536 1.101 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)cc1 1525585858 GPBQGRJJXZRQJI-UHFFFAOYSA-N 435.506 1.679 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)c1cnn(CCC#N)c1C)c1ccc(S(C)(=O)=O)cc1 1538507990 BSODOGAMZQDXCE-HXUWFJFHSA-N 432.502 1.717 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539202058 FOBGIIWFGREWAU-QGZVFWFLSA-N 435.594 1.605 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539430738 MXSBNWPGDSXWFV-ICSRJNTNSA-N 432.569 1.016 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)N(C)CC)CC1 1539470697 WAKHUAMOZKTUPZ-UHFFFAOYSA-N 436.560 1.952 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539750824 CYTDVICEOPXUBN-LJQANCHMSA-N 433.553 1.450 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cscn1 1540874472 HULRSFUIXYASBZ-UHFFFAOYSA-N 431.547 1.665 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540901483 FJDMSNWOIGBHQR-HNNXBMFYSA-N 442.545 1.694 30 10 IDEE C=CCSCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1540922730 WVGSKJLOWRHWDV-MAUKXSAKSA-N 430.596 1.473 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 1541090503 RMJJWEYIOJBRDZ-UHFFFAOYSA-N 437.474 1.915 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc2c(c1)C(=O)NCC2 1541654588 FGOUKMAQXOASAH-UHFFFAOYSA-N 435.532 1.881 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1543315423 YFAWPNAWLYCMJF-QFIPXVFZSA-N 426.473 1.879 30 10 IDEE CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1547320177 DBQKGXCBYZYMEL-UHFFFAOYSA-N 435.532 1.919 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554697582 PYDXAGPFPMFNQK-CYIKPXLWSA-N 430.509 1.661 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1555817671 GXULGCHHLBWPCY-SFHVURJKSA-N 440.476 1.377 30 10 IDEE C[C@H](CC(=O)N[C@H](C)C(=O)NCCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1556920712 DMMBSTJBSWDHQB-HZPDHXFCSA-N 442.541 1.367 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1557383560 BFCXJZRCPXEXJG-CTNGQTDRSA-N 443.525 1.821 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1CN1CCNC1=O 1566972205 CHVBGHSDHTXEQM-CQSZACIVSA-N 427.486 1.389 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2c(C#N)nnn2Cc2ccccc2)C1=O 1586986751 JHJIMEXUXACPLQ-JOCHJYFZSA-N 447.430 1.743 30 10 IDEE C#CCCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1587807968 LPAWWTBHUKUWGG-MRXNPFEDSA-N 433.582 1.758 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1588049830 LSFJXZNEGRDMSL-QUCCMNQESA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1588050600 TUFJRZGHVCMOHU-IBGZPJMESA-N 442.520 1.687 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CC1 1588865645 ZPDHFXVAVKVFHQ-QHCPKHFHSA-N 438.532 1.271 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1594812076 BWOGXQQMWIOYQK-AEFFLSMTSA-N 434.566 1.848 30 10 IDEE C=CCCOCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1594830296 VMILIRIDMLBZCN-PGRDOPGGSA-N 435.569 1.968 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1595219783 XQZCOXJAAGCSPB-HNNXBMFYSA-N 434.566 1.711 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1596985703 WEHQNGQIZNOHGY-DLBZAZTESA-N 426.498 1.981 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1612911214 LYCXJIVWRKIJRH-OVDVQJHRSA-N 447.499 1.957 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1617443946 OYTLAGIKGKRERS-YSZKKOMBSA-N 442.545 1.212 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)C[C@H]1O 1618884109 PDSNAJPJJCVPPF-QRVBRYPASA-N 439.516 1.992 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C[C@H](C)O1 1619736522 DISOOVRABZMSAO-XERREHJYSA-N 429.546 1.925 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1620001680 JHSOQSRVPOHQTO-AVRDEDQJSA-N 447.584 1.296 30 10 IDEE COc1cc(N[C@H]2CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)cc(OC)c1 1622398098 CCUKJUMUEQOQOU-HNNXBMFYSA-N 427.461 1.331 30 10 IDEE CCNC(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1625242144 KDKVAVJARJBNIY-PSCUFVCCSA-N 433.553 1.054 30 10 IDEE COC(=O)c1nc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1Cl 1634918868 PQCCEFFBOQUDFZ-QGZVFWFLSA-N 441.875 1.994 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)s1 1635345333 DBDUZGVGJPYQKD-UHFFFAOYSA-N 448.570 1.672 30 10 IDEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CC1 1639862908 DZOZGYACJCWADZ-UHFFFAOYSA-N 429.336 1.859 30 10 IDEE COC(=O)[C@@]1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1643878453 PAMMFCIHHFAUNU-QMHKHESXSA-N 444.532 1.620 30 10 IDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC12CN(C(=O)OC(C)(C)C)C2 1644662246 SCZMIVOTBZLDEC-XFQAVAEZSA-N 436.553 1.771 30 10 IDEE CC(=O)c1cc(Br)ccc1OCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1645998048 YTVOVMBHQCHMNX-YVEFUNNKSA-N 441.303 1.427 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 1647985793 CWNJTDBENMGYQS-IEBWSBKVSA-N 435.546 1.601 30 10 IDEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1657626129 IAROSCQXWLDZKS-UHFFFAOYSA-N 437.566 1.852 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC2CC2)CC1 1662588389 QBKYIWUQYRHLHQ-UHFFFAOYSA-N 425.938 1.185 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc4c(c3)C(=O)CCO4)C2=O)cc1 1662734636 HNIOMXBNCZDLHF-SFHVURJKSA-N 425.466 1.997 30 10 IDEE COc1cc(CNC(=O)Nc2ccc(Br)c(C#N)n2)ccc1OCC(N)=O 1672173861 FQGDNDBVOCPCGN-UHFFFAOYSA-N 434.250 1.910 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1683309818 PAMYTVQBAPNCFC-ZFWWWQNUSA-N 437.547 1.298 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cccn2)c1 1689870211 FZYGZYNSVBWKFB-IBGZPJMESA-N 446.515 1.572 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690041747 GVGRLDAWSYZSCW-OAQYLSRUSA-N 433.560 1.746 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccn(C)n2)CC1 1690113822 VWFXPTDIKYOKGP-QFIPXVFZSA-N 427.553 1.050 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCC(=O)N2)CC1 1690133481 IUNWOPYRCLSPSB-GOSISDBHSA-N 438.532 1.290 30 10 IDEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690507836 XXZGJHPNCSUBSF-UHFFFAOYSA-N 430.553 1.456 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690508191 CWZCUMQRQSSEPL-UONOGXRCSA-N 438.472 1.540 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690658895 CUCYWFNOYCCHFY-ZHALLVOQSA-N 431.585 1.083 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)NC)CC1 1690675050 OLKNGEJKUCJCAC-UHFFFAOYSA-N 426.521 1.164 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@H]1C 1705516834 JQOYKDKFIXTLET-ZACQAIPSSA-N 441.623 1.745 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC)cc1 1705620701 CNLAJTRCQFDHNZ-UHFFFAOYSA-N 438.532 1.398 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705724348 HWWVTQQWYSRSAH-IBGZPJMESA-N 426.569 1.542 30 10 IDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1705796358 DFHQGZVAAVEGLF-GUDVDZBRSA-N 438.532 1.540 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1705908131 JDFKSFAHCIQTHR-UHFFFAOYSA-N 430.484 1.357 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)C1 1705914077 GFUGDROVFINCAH-GCKMJXCFSA-N 428.493 1.247 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1708249443 NGIZBOXTFRTITH-RHSMWYFYSA-N 429.475 1.871 30 10 IDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1710734823 PDDQMFKEBVLMAF-KRWDZBQOSA-N 433.557 1.906 30 10 IDEE CCOCc1nnc(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710757742 JTKNRZSWORSFRB-SUIJLWJLSA-N 430.509 1.202 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722303800 RNCHOZOIZUSDIN-MRXNPFEDSA-N 448.545 1.263 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1722448924 IPYNYHSLVCZRSG-GHTZIAJQSA-N 436.560 1.902 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1722501338 OQEVFTMBGGLVEN-ORGXJRBJSA-N 433.553 1.613 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722695796 QMFYKMXWFUZWOM-HXUWFJFHSA-N 438.576 1.968 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722705661 GRMHUQXHHMVCBQ-GOSISDBHSA-N 447.561 1.399 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2CC)C1 1722710441 IVYVTYISSAVFRR-FGTMMUONSA-N 440.614 1.544 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1729298503 IXZQTZNEKPGKAO-PMACEKPBSA-N 443.596 1.855 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729639620 SASVPNHVZBRFAK-QYPNQAIESA-N 449.515 1.434 30 10 IDEE COc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccc(C#N)o2)cc1 1730078136 YVVIMXRYZSIVHJ-UHFFFAOYSA-N 436.472 1.937 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1740615848 MIXAIPLHVMXQIL-HOTGVXAUSA-N 439.607 1.329 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC2CCOCC2)CC1 1740697791 GTEWSYVSNOLRRR-UHFFFAOYSA-N 444.605 1.975 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1740758966 DNGODKYTEKDQLF-FXAWDEMLSA-N 425.537 1.707 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740847770 STBCEEFLCXVCOR-SFHVURJKSA-N 443.596 1.576 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740900728 XIRBWFXCJCWUQX-QAPCUYQASA-N 433.534 1.694 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1745146288 DIUVJKQGHLLLGH-FMQUCBEESA-N 429.525 1.252 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2COCCO2)cc1OC 1745809671 FXBCZRLJRPJMAT-MSOLQXFVSA-N 443.504 1.887 30 10 IDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1747330349 NNYOBCOKOBFCSP-CVEARBPZSA-N 439.524 1.033 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCc1ccccn1 1748292967 WNXOOPZSOOJAHL-UHFFFAOYSA-N 439.545 1.830 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1748858846 JCZSRRISYXONDZ-QZTJIDSGSA-N 427.549 1.552 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCCCO2)n1 1748970691 NXVFHMUWQOJJHF-IBGZPJMESA-N 436.520 1.787 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1748990479 XOWDJSJXSASNQW-HXUWFJFHSA-N 443.573 1.130 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1749009297 OCPHSZZPTFDIOB-VQIMIIECSA-N 425.537 1.196 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1749049908 RTHJXLLUZMEMLY-GUDVDZBRSA-N 449.621 1.904 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749210354 IBVFAKOHTIIJTR-SFHVURJKSA-N 429.525 1.418 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749255699 HJTGNLGSILSFIH-LJQANCHMSA-N 435.937 1.960 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749657941 GSRLDOLPOCGMOX-MRXNPFEDSA-N 428.537 1.838 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749676289 LEYWPTQNLKVUHU-QGZVFWFLSA-N 441.467 1.580 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749680742 PNWAAYCYJPCGNA-HXUWFJFHSA-N 449.559 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1749732107 PVNZDURXFUQREO-GOSISDBHSA-N 447.561 1.508 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCc1cnn(C)n1 1760176408 JZTACQACGMLLTQ-UHFFFAOYSA-N 447.591 1.474 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760182677 IELQSJKTGNZTOM-XMSQKQJNSA-N 444.557 1.741 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1760247536 FPYKQRBXXYOMIB-QGZVFWFLSA-N 441.557 1.958 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)c2ccco2)CC1 1760266231 TYDPOCYTZKWCRK-INIZCTEOSA-N 426.521 1.780 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760351216 DXAMULQQVKNGEF-QGZVFWFLSA-N 439.520 1.719 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760373968 GDTBMVNKKNMJKW-CYBMUJFWSA-N 441.920 1.188 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760434518 DKOLNXUFLYTSPF-QGZVFWFLSA-N 428.522 1.510 30 10 IDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1760476573 YHZZGCKEKNXNKS-UHFFFAOYSA-N 446.552 1.849 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(C(C)=O)CC2)cc1 1760529521 ILOLZTLMQCOVFI-HXUWFJFHSA-N 438.532 1.901 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1760559730 SDYNLZZTDGNOGV-UHFFFAOYSA-N 432.594 1.928 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N(C)C 1761872206 HQXPUDAISPEIPA-MRXNPFEDSA-N 446.581 1.276 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1763125274 NMSPQLXREMLQLK-YESIBHTGSA-N 432.550 1.988 30 10 IDEE CCOCc1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767849800 VDZBGCPTRJBYCJ-FMQUCBEESA-N 431.541 1.308 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1770339062 FYHDIRXHKGEINR-HKUYNNGSSA-N 445.545 1.779 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2C[C@H]2C(=O)N2CCc3ccccc32)CC1 1851938831 ZJELFFRYCLZSRL-NHCUHLMSSA-N 445.523 1.844 30 10 IDEE C=CCC[C@H](C)C(=O)N1C[C@@H](CN2CCC(N(C3CC3)S(C)(=O)=O)CC2)CC1=O 1857447650 UGPIKOXOZLWTSV-DLBZAZTESA-N 425.595 1.852 30 10 IDEE COC1CCN(CC(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)CC#N)c3ccccc32)CC1 1857457662 SGLXUJNFGITURT-OAHLLOKOSA-N 434.518 1.109 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC2CCCCC2)cn1CCNC(C)=O 1870494109 RXEATZBWJMNFIO-UHFFFAOYSA-N 444.576 1.986 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539636 XSHQBKZSKUBWQM-QZTJIDSGSA-N 446.353 1.972 30 10 IDEE C=CCC1(C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2249535239 NYYQKQMMTFRRRT-UHFFFAOYSA-N 443.541 1.164 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255711923 GKSUKPZVPUBWJI-NRFANRHFSA-N 436.314 1.992 30 10 IDEE CCn1cc(C(=O)NCCCONC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815975 WVPFTUDLJMPLRP-UHFFFAOYSA-N 438.334 1.778 30 10 IDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844481 XKRVFKIHSIRIKF-UHFFFAOYSA-N 442.272 1.666 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256066479 CKWXWRCCAWHZMM-KGLIPLIRSA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2259345114 CPHAQBGZMKTKHH-ZIAGYGMSSA-N 432.330 1.809 30 10 IDEE Cn1ncc(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2267012756 ZNVWNSVWQZARDS-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C(=O)OC(C)(C)C 2267112416 GIIPARYEPSWFPP-ZIAGYGMSSA-N 449.361 1.584 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2267148969 GVIKWVATXISMHR-JLCFBVMHSA-N 446.357 1.941 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267156271 HKVAZRXFVMTZBD-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267487942 REOMUYNGPWRXQW-HNNXBMFYSA-N 449.357 1.738 30 10 IDEE Cc1c(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267506350 WQYFUSJQBZGKEB-CABCVRRESA-N 448.373 1.918 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CCO)COCc1ccccc1 2320418514 GDDRECBPHUPINA-QGZVFWFLSA-N 429.326 1.417 30 10 IDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 2327828285 OXUHVDFRUXFVLG-CYBMUJFWSA-N 446.533 1.566 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330971181 BXIUSBYJVQFDTP-ZDUSSCGKSA-N 449.445 1.956 30 10 IDEE O=C(N[C@H]1CS(=O)(=O)C[C@H]1/N=C/c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 12174445 VLLQYXRHVIIXOF-FLFRWJPJSA-N 428.681 1.666 30 10 IDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 13794905 ZOZMMVUGYIKWRJ-JHBCHSCWSA-N 449.554 1.754 30 10 IDEE CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)ccc1Cl 443346512 WDKJBAJKJOYCKM-UHFFFAOYSA-N 426.926 1.975 30 10 IDEE CC(C)(C)OC(=O)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466620380 SXBPOPRAKMBAAB-UHFFFAOYSA-N 436.534 1.696 30 10 IDEE COC(=O)CC1(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 466897773 NWEODWBXTQDWRY-UHFFFAOYSA-N 433.530 1.905 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 478842676 NMTWRNRYMRKETK-CYBMUJFWSA-N 441.459 1.893 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@@H]1CCCO1 480941699 YXFDCOYIMBWHSV-ZDUSSCGKSA-N 433.555 1.188 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 482260307 GNCIAPVNUVNZOI-KSZLIROESA-N 442.472 1.332 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)n2)cc1 491361129 PCFYBSQXQDFGFV-GOSISDBHSA-N 429.440 1.058 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 492785324 SSVVFQGWXNOKEU-IEBWSBKVSA-N 436.516 1.737 30 10 IDEE CC1(C)NC(=O)N(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 502657636 WZSQHJOWOSLZCG-HNNXBMFYSA-N 448.321 1.488 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCCS(=O)(=O)Cc2ccccc2)CC1 504372034 UXQCRUXDACBQMU-UHFFFAOYSA-N 427.530 1.790 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508998945 ONZOTCNJZZUMAI-INIZCTEOSA-N 428.541 1.780 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 511096762 SZVWVBNEHREOFP-UHFFFAOYSA-N 429.517 1.109 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 523476757 IGUTUDHIMOICEA-UHFFFAOYSA-N 427.482 1.727 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C(=O)N(C)C 544850856 OVWCOJYFPIKZMA-UHFFFAOYSA-N 429.502 1.175 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC[C@@H](C(=O)O)C3)CC2)c(Cl)c1 547890206 NZJFXNNOVNACGA-CQSZACIVSA-N 440.909 1.435 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CCS1(=O)=O 555385788 HLYABSKPBTYRMH-SFHVURJKSA-N 445.545 1.921 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1Cc1ccccc1 562606267 IMABKKBLNCZTTP-UHFFFAOYSA-N 441.516 1.393 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 588152133 HFOIFHIFVPBHHK-GOEBONIOSA-N 440.521 1.936 30 10 IDEE CC(C)CN(C(=O)COC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 728345080 AOTBFSKRAKUBRX-UXHICEINSA-N 447.557 1.742 30 10 IDEE COc1cc2c(cc1OC)CN(S(=O)(=O)NC(=O)[C@H](C)Oc1ccccc1C#N)CC2 729909144 KGMDWJRCUVDNEA-AWEZNQCLSA-N 445.497 1.762 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1 730144832 RRJGTDJJXIUAMD-SFHVURJKSA-N 443.573 1.192 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cn1 732795786 XYKYTTZNRZKQOP-UHFFFAOYSA-N 437.500 1.597 30 10 IDEE CC(C)OC(=O)N1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 732974668 AUCJVVPRDYSUCJ-UHFFFAOYSA-N 436.534 1.631 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 747993367 IDKUUTMACXFHSM-IRXDYDNUSA-N 426.517 1.227 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CNC2(c3ccc(F)cc3F)CCOCC2)c1=O 764133127 IWMGUYQOYJFWEM-UHFFFAOYSA-N 434.443 1.075 30 10 IDEE COc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771537726 LXLITEMMSMAXHB-OAHLLOKOSA-N 429.506 1.062 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 778045421 PENMJVTYUPTAPU-CRAIPNDOSA-N 435.546 1.973 30 10 IDEE CN(C)C[C@@]1(O)CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 788204123 DXZDKLRBZIMYBB-NRFANRHFSA-N 436.578 1.201 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccsc3)c2=O)cn1 790432891 BESRMEDNCSZXBG-UHFFFAOYSA-N 440.550 1.676 30 10 IDEE C#CCN(C1CCCC1)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790855711 BEDQKLHOQLCQHW-UHFFFAOYSA-N 426.560 1.582 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)cn1 791186731 BLPCTRBAMNMUPZ-KRWDZBQOSA-N 431.543 1.517 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 800784875 YOQWRQXDRRTUMM-SFHVURJKSA-N 428.493 1.232 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 804715889 KVYBQKUICJNYJL-UHFFFAOYSA-N 433.486 1.833 30 10 IDEE COc1cc(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)ccc1C#N 812250722 QDIQFIWMQVUZIC-RVPHRTOXSA-N 432.480 1.986 30 10 IDEE Cc1cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c(C)n1-c1ccc(C#N)cc1 812355206 YMRNJYXZTLETKS-UHFFFAOYSA-N 429.546 1.920 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)nc1 813728957 CDGQITLEYWJLKP-GOSISDBHSA-N 442.497 1.757 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 816756121 QGTLGJUYEFPAFP-LJQANCHMSA-N 429.498 1.544 30 10 IDEE CCN1C(=O)C(=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c2ccccc21 916333710 ZUGOQJNVJHZRKL-UHFFFAOYSA-N 428.518 1.200 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)cc1 1084503343 RXSARDUZMAUJIH-UHFFFAOYSA-N 427.490 1.561 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2c(C#N)cccc2C#N)CC1 1116798603 JEBVOIFJBYGKFK-UHFFFAOYSA-N 444.538 1.653 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1135982477 ISGKSQLHWXSORN-QZTJIDSGSA-N 430.505 1.852 30 10 IDEE C[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1154180566 IUTGOSFADZAMFI-GFCCVEGCSA-N 426.336 1.793 30 10 IDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCCc3ccc(C#N)cc3)c2)CC1 1198911093 GOCVWIMDFNEIOU-UHFFFAOYSA-N 427.530 1.859 30 10 IDEE C#CCN(C(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1)C1CCN(C)CC1 1231317324 KBCQYBPTHYUKTJ-UHFFFAOYSA-N 432.525 1.446 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cc(C)on2)c1 1286312644 XOPGDSOBEKPXPN-UHFFFAOYSA-N 447.499 1.801 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286341870 JJZZSDLYVBJMPI-PKOBYXMFSA-N 431.562 1.750 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386945 KEWKBEYQLYDJFJ-MRXNPFEDSA-N 447.536 1.579 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1286397956 FDIAHPNCTVYOKJ-UHFFFAOYSA-N 441.495 1.357 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2cccc(C(=O)NC)c2)CC1 1286475703 GYZVATUIMOIKDW-UHFFFAOYSA-N 429.528 1.698 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286523299 YBFAHIJMELMRKY-YZVOILCLSA-N 440.470 1.484 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)CC1 1286561229 ANAKSMRMMBASPO-FPOVZHCZSA-N 427.553 1.789 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1286781369 RBTPUPODAPBBSN-OALUTQOASA-N 445.612 1.521 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(N)=O)nc2)C1 1286813223 SPIOIYXBDSEJFJ-GOSISDBHSA-N 436.520 1.463 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1286817389 RWAWULCCVRTRKH-UHFFFAOYSA-N 430.534 1.047 30 10 IDEE C=CCSCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286836981 SEYDNCIWUKEMMW-GUXCAODWSA-N 437.566 1.784 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286969299 OWHZURMWVAUJKT-RHSMWYFYSA-N 440.533 1.609 30 10 IDEE CC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)N1CCOCC1 1294334869 TYSKWQLTBGHTLF-QOQLHOOGSA-N 434.537 1.527 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)CCOC1 1299800625 DMQDSWKCHQCMDI-XXBNENTESA-N 438.532 1.975 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1OC 1300077300 OARHHADVBAHJTN-ZWKOTPCHSA-N 443.504 1.887 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2COCCO2)c1 1300334586 QYJLVYBCUMXRRP-WOJBJXKFSA-N 439.516 1.991 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300367820 JTNDLOVJGSDCCF-HXUWFJFHSA-N 435.532 1.834 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300404403 VVWVRWDVCJRZIU-RXVVDRJESA-N 438.580 1.471 30 10 IDEE COc1ccccc1CN(CCO)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C#N)o1 1300599190 DWRXYPIPYAZXMF-UHFFFAOYSA-N 438.488 1.937 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1300671203 DVINZONGPQYNEJ-IAGOWNOFSA-N 432.550 1.040 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(F)(F)CO1 1300675394 QKTVXRSJBIBVQP-AWEZNQCLSA-N 439.488 1.780 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1300681578 UMKIOJANBAKPCI-HXUWFJFHSA-N 441.624 1.780 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1300991070 OZMDTMAYXAOFOC-ROUUACIJSA-N 441.598 1.829 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1301066188 OZTUBKWXXKFKOS-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301491367 HQOJJJCWZIEEJM-INIZCTEOSA-N 447.561 1.659 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1301491628 USTNFJUJJMRVJN-UHFFFAOYSA-N 433.476 1.266 30 10 IDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1303497989 IYCHDLVOCGOKKX-HNENSFHCSA-N 435.525 1.008 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 1304218635 ONZIIVPFXWSSTG-XQZMSQOBSA-N 447.557 1.844 30 10 IDEE COC(=O)c1ccc(N2CCN(C(=O)c3cccc(C#N)c3Br)CC2)nn1 1306781474 BMUJPRLQSRPXSR-UHFFFAOYSA-N 430.262 1.860 30 10 IDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)C2(NC(=O)C(F)(F)F)CCCC2)C1=O 1307238031 RNLFNYBUZRYVLU-GOSISDBHSA-N 436.390 1.886 30 10 IDEE CS(=O)(=O)N1CC(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 1307653711 ITPLKXZLZVAXSD-QGZVFWFLSA-N 427.368 1.523 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC1 1309976018 VEUPNSWFZNOIJS-UHFFFAOYSA-N 426.517 1.931 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 1313402562 OCYUJPXLYXFLKF-UHFFFAOYSA-N 433.559 1.732 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCOC1 1314682245 OKDPSVLOBUZCSF-QZTJIDSGSA-N 430.534 1.466 30 10 IDEE CS(=O)(=O)CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316344290 HMURHXVHUZOCFS-FUHWJXTLSA-N 436.582 1.173 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1358962806 XPIJYKIOEVBSNY-GOSISDBHSA-N 429.546 1.868 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1358963560 KEEQESYKPSFOLD-MJGOQNOKSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1358966284 LOYNLKTYMXLPNR-MOPGFXCFSA-N 433.578 1.116 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359033868 UNSNFAMIXRXETM-LNVKXUELSA-N 445.527 1.535 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2nnc3n2CCCCC3)CC1 1359039940 BOZXZMQSFAYAQP-UHFFFAOYSA-N 438.580 1.908 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359040476 WKTOFEHLCINSQJ-ACRUOGEOSA-N 444.580 1.016 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1359056465 FWEGZUBJJLDVDV-INIZCTEOSA-N 429.612 1.460 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1359075670 BQJRXCXJMCDHBT-UHFFFAOYSA-N 435.330 1.442 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359104369 AOKXAKSUQJRKEP-FJIDUMEYSA-N 439.582 1.629 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1359107097 CHTUBXLMAXSZAL-INIZCTEOSA-N 444.565 1.920 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359121430 PGQCLCDWKQSOHJ-OALUTQOASA-N 431.585 1.037 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1359232534 XBTVFSFAYGGHFL-RTWAWAEBSA-N 437.610 1.760 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cscn2)CC1 1359296652 PYKDOYVYAFNGSD-UHFFFAOYSA-N 448.556 1.898 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359298470 APPUXCPFNKNBRN-UHFFFAOYSA-N 448.524 1.108 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1359321108 AFRAXXAOAGBALN-MSOLQXFVSA-N 447.561 1.520 30 10 IDEE COc1cc(C#N)ccc1C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 1435160120 DLZBDVRQXXWMHT-UHFFFAOYSA-N 443.481 1.503 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2ccc(SCC(=O)N(C)CC)cc2)C1=O 1436576535 RKFGUCUNLXTHPV-CQSZACIVSA-N 447.513 1.838 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=NN(CCO)C(=O)CC2)cc1 1441898785 YPBKBBPSZVTWDG-PTGBLXJZSA-N 449.533 1.189 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cn2cnc3ccccc32)c1 1457131296 CQOHRMMENZWTRJ-NRFANRHFSA-N 428.514 1.682 30 10 IDEE Cc1cc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n(CCC#N)n1 1464373837 DMKZWDBZSCQJCZ-UHFFFAOYSA-N 433.490 1.574 30 10 IDEE CCOC(=O)c1c(NC(=O)N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c(C#N)cn1CCOC 1466104314 FLKSRDIWNCYOEL-JKSUJKDBSA-N 432.477 1.846 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccnc1 1466244840 YDYBNUSGFCUEQR-CQSZACIVSA-N 432.930 1.512 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)C1 1466736176 HLICXXWLSIYNQR-SOUVJXGZSA-N 435.502 1.487 30 10 IDEE COC(=O)c1cc(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)cc(C(=O)OC)c1 1473620081 XBPIOWWIZUEMGQ-LJQANCHMSA-N 425.441 1.735 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 1503724591 FALBDZPSDGORGK-HXOBKFHXSA-N 437.548 1.500 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CCO1 1503770273 DSSIQSBJVRTMHK-JTSKRJEESA-N 436.472 1.269 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1504434529 CSYOLDNFGWJDHT-GCKMJXCFSA-N 431.468 1.848 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1505321902 FZQLIXPRAHXWDH-HUUCEWRRSA-N 436.925 1.690 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1505322702 SOCRCQJNWLQDNG-IEBWSBKVSA-N 435.463 1.552 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507552792 TWNMPIDCKDVBQN-KRWDZBQOSA-N 441.536 1.084 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1507634092 KYWFIDZSRNZHAP-CQSZACIVSA-N 438.504 1.879 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1507661245 PXRICYCDBQXQMS-XMMPIXPASA-N 443.592 1.892 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1507711985 OHBCMFOSQXXLMD-QGZVKYPTSA-N 439.560 1.760 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1507744674 VBPFFRQUEBCMTM-HNNXBMFYSA-N 427.534 1.254 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC 1507821084 UAUIKVOTRVEVBO-VQIMIIECSA-N 429.587 1.565 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(C)(C)O)cc1 1507983298 PUWIRJQFVZXDLS-GOSISDBHSA-N 449.577 1.509 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099493 ZIHWLBZPDIGHOL-IERDGZPVSA-N 435.525 1.010 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1512552707 IADCXRRRKRKYPX-DLBZAZTESA-N 446.577 1.407 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1517641260 DXHSOIPQEGOZJD-SFHVURJKSA-N 438.488 1.065 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1519368844 IGXRRTYGJIUYSZ-WIYYLYMNSA-N 429.546 1.926 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2nnn(-c3ccccc3Br)c2C)CC1 1524011711 ZPHNILGROPJSRY-UHFFFAOYSA-N 430.306 1.940 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1539224270 DNMHBXQUICQAAQ-LJQANCHMSA-N 439.545 1.177 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCCCS(C)(=O)=O)CC1 1539434206 CTVTZSGQXZGHOP-UHFFFAOYSA-N 445.589 1.924 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)CC1 1539446439 ZOZUUYVBYVFYCM-INIZCTEOSA-N 429.912 1.112 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnc(C)s2)CC1 1539459228 ACQRUPNTBSSZBZ-UHFFFAOYSA-N 441.586 1.838 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@](C)(O)CCOC)CC1 1539470466 QSMIBLROHSIDCN-QFIPXVFZSA-N 429.521 1.600 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1539765600 GYCAQFHUTYJVDH-KRWDZBQOSA-N 446.577 1.660 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1540905096 SHZFHXRMZVFTAL-PKOBYXMFSA-N 431.562 1.870 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1541053891 HXUPZVJSMFDLAW-NVVBAYIOSA-N 438.532 1.709 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541660750 IUOVUGZPVJIIBA-VLGSPTGOSA-N 427.509 1.323 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1541720470 CRXPTMJTRPJFFG-YADHBBJMSA-N 432.569 1.515 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1541803429 IBAOHAJXYUYMQS-GXTWGEPZSA-N 431.547 1.972 30 10 IDEE N#Cc1cn(CC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(=O)nc1O 1543949069 CRISXBVYNQRYCR-HNNXBMFYSA-N 449.389 1.319 30 10 IDEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 1544091913 CUVUQWHIZMLRSR-UHFFFAOYSA-N 433.424 1.908 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1554381228 AORJTHZROQVLJI-OAHLLOKOSA-N 425.537 1.797 30 10 IDEE COCc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)ccc1F 1555306101 AXBRVPBJULPAPL-KGLIPLIRSA-N 438.529 1.960 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1557833165 FZGKLLUTXOCSOU-MRXNPFEDSA-N 442.541 1.616 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)s1 1558411836 WSNSTDSHSWHRNT-SCLBCKFNSA-N 427.548 1.492 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c1 1570666654 JCMWBSCCCOTJMC-AWEZNQCLSA-N 431.436 1.271 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(O)nc(S)n1 1583368399 CLGNBRRUYYBJCW-CYBMUJFWSA-N 435.531 1.385 30 10 IDEE C#C[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F)C1CCOCC1 1585148569 CPLYFCRKIGSAFH-DLBZAZTESA-N 428.551 1.770 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)CC1 1588805725 AXQJNBYWBMFUHG-INIZCTEOSA-N 448.449 1.773 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589047833 KWCPYEDZONBMJL-KRWDZBQOSA-N 439.589 1.496 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](CC(N)=O)C1 1595550658 GQKVQDOQSOXRJP-MAUKXSAKSA-N 440.504 1.185 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595593353 BLWLJHOEQBSTGN-KRWDZBQOSA-N 440.573 1.992 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1596985711 WEHQNGQIZNOHGY-IAGOWNOFSA-N 426.498 1.981 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2ncccc2N2CCC[C@H]2C1 1603534481 XXZKFWPFNNTRIJ-RDJZCZTQSA-N 425.514 1.631 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3cccc(OCC)n3)CC2)c1 1607308445 QNOWLBDJOHXQGH-UHFFFAOYSA-N 442.541 1.791 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCC2(C1)OCCO2 1611658691 HSUHJIAJJWYPTK-KKUMJFAQSA-N 426.543 1.170 30 10 IDEE O=C(Nc1ccccc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@H]12 1614388606 IAXMDYNWVLZKBJ-QYESJMSASA-N 427.482 1.857 30 10 IDEE C=CCOc1ccc(CC(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1616331350 SREIVUXJOWQWDL-HNNXBMFYSA-N 431.514 1.845 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1619322163 ILGMMSVOURAOKD-RBUKOAKNSA-N 429.477 1.400 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619609894 IOZWBNIJIAXORH-KRWDZBQOSA-N 442.499 1.092 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1620354419 DRGGYSUMOWNKNW-CABCVRRESA-N 429.868 1.315 30 10 IDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2c(C)nn3cc(Br)cnc23)n1 1622097137 OJQSUROKSFPQBX-UHFFFAOYSA-N 437.323 1.841 30 10 IDEE C=C(CCC(=O)OC)C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1623565547 VVOFUBKFYGQHFJ-UHFFFAOYSA-N 433.324 1.661 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1B1OC(C)(C)C(C)(C)O1 1628739776 BNWYXTJVQMIIRR-OYHNWAKOSA-N 427.310 1.402 30 10 IDEE C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1630585973 ZYCIYPPJAXALNP-ZOBUZTSGSA-N 432.525 1.249 30 10 IDEE N#CCCn1cc(C(=O)N[C@H](CO)CN2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1635225484 MNEFHXGUEWOSOD-KRWDZBQOSA-N 426.477 1.949 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)nn1 1638491574 DBFWWLXPAWUZSL-UHFFFAOYSA-N 440.323 1.597 30 10 IDEE C#CCC[C@@H](O)CNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1639434754 QJJBCLVVVZLGDU-MRXNPFEDSA-N 444.963 1.931 30 10 IDEE O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccc(C(=O)NO)cc1 1639586337 CSESTMCUJRZPQL-UHFFFAOYSA-N 432.285 1.707 30 10 IDEE N#Cc1nc(NC(=O)c2cc(I)ccc2N2CCOCC2)[nH]c1C#N 1640271771 WKUCVIWPCIASHY-UHFFFAOYSA-N 448.224 1.847 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccc2c(c1)OCCCO2 1645637302 JAMXPOGHOAIUNH-HNNXBMFYSA-N 429.498 1.745 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1Cc2ccccc2NC1=O 1648602823 FVXMTJLYJCHLIS-ROUUACIJSA-N 440.525 1.964 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(c3ncc(Br)c(OC)n3)CC2)cc1 1667724175 WKHMCLFWEJYOGI-UHFFFAOYSA-N 437.319 1.740 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@H](C)N3CCN(C)CC3)c(C#N)c2N)cc1 1676864487 DSFPSUQZURHESW-SFHVURJKSA-N 438.580 1.502 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)nn1 1683482872 GEXZDGAHNOSKAL-JERHATOGSA-N 433.509 1.517 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1689930542 UHAYSFVLOUQJMQ-RTBURBONSA-N 435.594 1.142 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1689991071 VGDWRLXOLTWFTL-QZTJIDSGSA-N 432.550 1.086 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1690002094 YOWGYZONOUALJZ-QGZVFWFLSA-N 425.464 1.489 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690124850 VTIIPPDYUMGUOQ-NRFANRHFSA-N 436.560 1.725 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690170204 BRAOJLLGIRXVLI-HOTGVXAUSA-N 429.550 1.746 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690508523 KMNINULFUKVTIG-GOSISDBHSA-N 431.541 1.778 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(C(C)=O)CC1 1690668806 JZMQSIWSXYPFSP-UHFFFAOYSA-N 449.515 1.961 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1690675737 DAAMAQIUIWDLJD-HNNXBMFYSA-N 431.468 1.688 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690719915 VOAUJHGBIQYNQE-MRXNPFEDSA-N 433.534 1.648 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1691930817 MIYZZHDZXQBBHZ-OSCRUYLVSA-N 441.536 1.665 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1692555176 HZZCJAYMGHMQOJ-UHFFFAOYSA-N 449.519 1.276 30 10 IDEE Cc1n[nH]cc1CCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1692919716 VVCJHIDOCGDRKX-WIYYLYMNSA-N 429.525 1.712 30 10 IDEE Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1693510271 UVYONZQPDDDFRP-BFQBXFRASA-N 435.532 1.824 30 10 IDEE CCc1cnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1694551953 DRVMDWWSJRNYET-PXAZEXFGSA-N 441.558 1.592 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1697679682 LLZBUTORHQJYFY-QTIQAUKSSA-N 437.504 1.728 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1705567621 XQUBLKHMDXWLIT-HZPDHXFCSA-N 448.549 1.335 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1705583480 ZBJNIKHUKFPAAY-OALUTQOASA-N 425.558 1.778 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@H]1OC 1705624015 NEWKBFFFXBJXAT-AZUAARDMSA-N 436.520 1.822 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCN(CC)C2)CC1 1705642311 PADBUOGAIAYZHC-SFHVURJKSA-N 441.605 1.367 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cnn(CCOC)c2)CC1 1705647722 IWPOJELSRQBGPW-UHFFFAOYSA-N 439.564 1.793 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705828119 COSBGZDXJKNBQX-LJQANCHMSA-N 428.537 1.704 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1705884826 YRMWLLPCAGQYOT-GOSISDBHSA-N 441.536 1.148 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)CC1 1705898570 QCLOTUWMHWSGKU-UHFFFAOYSA-N 442.520 1.369 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccccc2)C1 1705926137 YTHZPAKVQHMKBO-JUXOCIIHSA-N 446.573 1.869 30 10 IDEE CC(=O)N1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705978808 SLEGNMPMQITEHF-CZIZESTLSA-N 427.509 1.131 30 10 IDEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1706571446 HJCKQEDGTFFGKA-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1706632699 GBVKXOFNKYSADS-KRWDZBQOSA-N 430.534 1.355 30 10 IDEE C[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1707999162 GNRKSBAXLDZZJQ-OLMNPRSZSA-N 430.534 1.700 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1712705298 MRCYPNCTZJJLEM-INIZCTEOSA-N 430.534 1.325 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(F)F)C1 1712912662 CZECDYXOYHKHCP-NIGUIEARSA-N 444.446 1.743 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722286423 HVWJNUHJBVLPCY-HOTGVXAUSA-N 447.561 1.702 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1722348004 UHHNCLOEZCJFGL-UHFFFAOYSA-N 437.504 1.963 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722364955 BBTURCARXVSIIK-WOJBJXKFSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1722382622 IZJOMQBBDKPZHU-OALUTQOASA-N 441.557 1.683 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N2CCOCC2)CC1 1722432754 CWDIMHRKMYIYHZ-UHFFFAOYSA-N 428.924 1.213 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](COC)OC)CC1 1722443059 AZRXMNJZDJATDY-FQEVSTJZSA-N 441.532 1.581 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C)n(C)c2=O)CC1 1722445840 YMYXNCSBSDNTOD-UHFFFAOYSA-N 444.539 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCSC2)CC1 1722446023 JQVJFRQJOXQVAS-JOCHJYFZSA-N 440.573 1.482 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1722507481 PIZJYJKXUFAFCH-PZJWPPBQSA-N 439.564 1.579 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722625196 PRZCFQNWXWYJJS-QGZVFWFLSA-N 444.536 1.903 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722630046 UFFVFLQVJYBLRS-IXDOHACOSA-N 439.582 1.296 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722725874 SKUVGAJRLMMKDP-GOEBONIOSA-N 425.555 1.021 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1727814907 BBGSRXQOQKNZMK-LTDXQCTPSA-N 432.550 1.640 30 10 IDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1728495299 ANGAIJYEPUTVAV-MAUKXSAKSA-N 428.534 1.286 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728651222 GVFDOUSIXHNIPW-UHFFFAOYSA-N 427.509 1.512 30 10 IDEE COc1ccc(COCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1730177013 YXVQARZQIYDVGR-OALUTQOASA-N 440.504 1.573 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1c(O)nc2ccccc21 1730875277 KXCWDHCMAXROOY-HZPDHXFCSA-N 441.492 1.486 30 10 IDEE COCCOC1(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1730883427 KHWVSHQZRIGFQC-LJQANCHMSA-N 442.520 1.205 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1740546776 KZJSQGHOCXXYRX-AWEZNQCLSA-N 442.483 1.192 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740621033 ZNCHBBRBJQOAKC-GOSISDBHSA-N 444.557 1.886 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1740627200 OPMRTAZWXGIXIF-YOEHRIQHSA-N 436.484 1.735 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCN(CC)CC2)CC1 1740694719 RPLDMYULUPUXJA-QFIPXVFZSA-N 443.640 1.693 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740801114 NQHBOLHRWLPVRQ-ZDUSSCGKSA-N 444.883 1.151 30 10 IDEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740867559 OBZBMLDNXMBPJT-GOSISDBHSA-N 430.553 1.757 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1740899674 GBNDPRQOOWQMLS-SFHVURJKSA-N 435.550 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1740987534 VXLTUTGREYCQLD-YJBOKZPZSA-N 449.508 1.887 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1743354727 FCLCHVJDMSDEPK-DOTOQJQBSA-N 430.534 1.323 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1743615276 BXJVDSFCKIOZNY-HNNXBMFYSA-N 426.612 1.910 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748811407 GMKMVIKWMCIMDF-QGZVFWFLSA-N 431.562 1.606 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@](C)(O)CCC)CC1 1748986509 BCTWVKRXAPQJIH-DEOSSOPVSA-N 449.559 1.498 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)NCC=C)CC1 1749008831 HDXOMFGNSFAOMM-UHFFFAOYSA-N 445.527 1.694 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749022395 JFCJHFUITLJQGJ-ARFHVFGLSA-N 427.596 1.118 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749232904 XBVXOQJHVJZDSC-INIZCTEOSA-N 425.580 1.850 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749398997 YIIROFJAKYUQSP-IAGOWNOFSA-N 436.582 1.590 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 1749677479 AEVYCHNLQOCBIL-UHFFFAOYSA-N 437.504 1.090 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1760099836 MQYZOOSZANDZFU-HXOBKFHXSA-N 425.533 1.990 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1760182674 IELQSJKTGNZTOM-AVRDEDQJSA-N 444.557 1.741 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760189017 FLWWYMHOJSPUQF-LJQANCHMSA-N 443.573 1.707 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1760194331 GIMJDMIYXPKSBO-WMZOPIPTSA-N 426.546 1.476 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1760219920 SKFCAUYGHXPCGY-MOPGFXCFSA-N 444.580 2.000 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1760232382 CLHDLEMCVGRVSD-OAHLLOKOSA-N 440.529 1.086 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760280652 LOTZDDAFTIVYFA-CYBMUJFWSA-N 429.468 1.943 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2CCOC[C@H]2C1 1760316999 ZQJYFXJRCNZUIO-NMLBUPMWSA-N 435.569 1.504 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760336310 XFKWOHLZAAAOFD-AZUAARDMSA-N 432.569 1.021 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OCC)CCOC1 1760349658 VIOMAFNTYSDUCZ-FOIQADDNSA-N 430.513 1.038 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1760520531 QVHRBCIBOFRLLD-OAHLLOKOSA-N 427.509 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760552673 XGIXZZPTNANEAZ-UHFFFAOYSA-N 440.529 1.676 30 10 IDEE CC(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761038665 HEYPMYBTPSDNQI-VHEBQXMUSA-N 437.495 1.390 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1761362642 FUANAINUBDEZFT-KGLIPLIRSA-N 426.543 1.443 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCCN(C)C 1763742324 QURRQJVLSUCEKT-KRWDZBQOSA-N 443.600 1.610 30 10 IDEE CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1766337152 PDNSSTTVLAVSKF-GOSISDBHSA-N 448.549 1.941 30 10 IDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767067895 HIGPJCYIRWBNPU-DYTRJAOYSA-N 435.488 1.417 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1768150197 JXWPOIQGBBYQSR-HZPDHXFCSA-N 441.479 1.732 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1768427335 FITAANKQPZRLQR-FIKGOQFSSA-N 433.532 1.167 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCOCC1 1768932009 QDQAGQLHQUXDSA-HXUWFJFHSA-N 440.548 1.719 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@H]1C 1769494246 DDOSCZWDNZZRAF-KRWDZBQOSA-N 441.536 1.672 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(F)(F)F)C2)o1 1770740527 RRDRNJFLEOEAAQ-SMDDNHRTSA-N 445.423 1.461 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](Cc1ccccc1)OC 1772564403 WKAYJUIFGSEQFZ-OALUTQOASA-N 449.577 1.491 30 10 IDEE C=CCNC(=S)NCCOC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 1852012191 WBVHOFBWHWTDPN-GFCCVEGCSA-N 426.336 1.995 30 10 IDEE N#CCC1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856549855 HITSZDNIGWQKTR-PKOBYXMFSA-N 436.578 1.334 30 10 IDEE CN1C(=O)Cc2cc(-c3nn(-c4cccc(C(=O)O)c4)cc3/C=N\NC(N)=S)ccc21 1857806904 NQZABDKMIBZINQ-RMORIDSASA-N 434.481 1.924 30 10 IDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1861775604 HCUGJHDRHHXKQA-FQEVSTJZSA-N 435.480 1.798 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 1867844361 ANWPDBRIHDSUFR-JKSUJKDBSA-N 441.400 1.592 30 10 IDEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110681 DIHLOZIMCITACD-UHFFFAOYSA-N 449.358 1.480 30 10 IDEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(O)CC2)cc1=O 1870387587 KGZKJCQWZOFGMZ-UHFFFAOYSA-N 447.557 1.260 30 10 IDEE C#CCOc1cn(Cc2ccc(O)cc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871008655 HJLJTYYMIZIIGV-UHFFFAOYSA-N 439.493 1.874 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871623907 XOYHHOUJNJFLJY-UHFFFAOYSA-N 447.547 1.938 30 10 IDEE N#Cc1ccc(COc2nonc2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 1872650307 MENNGLQJVRSZBP-UHFFFAOYSA-N 441.469 1.069 30 10 IDEE Cc1nc(N(C)C)sc1/C=N/n1c(SCC(=O)NC2CCCC2)nnc(C)c1=O 1873495202 OVZUMROPPVWWOG-DJKKODMXSA-N 435.579 1.811 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)CC1 1889412552 OMBMUWCJDRFHMX-UHFFFAOYSA-N 425.573 1.813 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CCCN(C(=O)OC)C3)CC2)CC1 1891137305 DVJPLHFBKZKXEW-HXUWFJFHSA-N 434.581 1.113 30 10 IDEE CN(CC(=O)Nc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1892074559 DLLAMFQVKIEAAX-UHFFFAOYSA-N 442.497 1.290 30 10 IDEE CC(C)(C#CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)NC(=O)OC(C)(C)C 1897837695 OEHCGUMPLOHTKY-HUUCEWRRSA-N 425.526 1.780 30 10 IDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085656860 NDHYDOJORVDHKS-HNNXBMFYSA-N 434.346 1.774 30 10 IDEE Cc1csc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1C#CCN 2100798868 LWJUIDOFQJVMIT-UHFFFAOYSA-N 431.539 1.472 30 10 IDEE CC1(C)OB(c2cnc(N3CC[C@H](NS(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2172774867 TXTLRNVKCMJXOS-LBPRGKRZSA-N 446.176 1.271 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)n1 2255613268 XYVMERPLBHBEDO-QGZVFWFLSA-N 425.342 1.366 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626795 KOUWBKWKWCLPRI-UHFFFAOYSA-N 432.330 1.934 30 10 IDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2255839318 UGRQDXFZEXTPOI-UHFFFAOYSA-N 428.216 1.497 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843726 KWFBOXZMCAGCJA-ZIAGYGMSSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256068039 WNTFCKBOVFERFT-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C 2267267565 XOQUMKMVMMBNLU-ZBFHGGJFSA-N 449.357 1.594 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2267272200 XMJSWVOAZDBOOP-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE C[C@@]1(O)CCN(C(=O)C(CCC(=O)O)=Nc2ccccc2)C[C@H]1n1ccc(O)nc1=O 2297692552 AADJLAOETZIAHH-IIBYNOLFSA-N 428.445 1.111 30 10 IDEE COc1ccc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)c(Br)c1O 2323022832 PKOPQHBNAHGERP-UHFFFAOYSA-N 429.252 1.303 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1C[C@@H]2CSC[C@H](C1)C2=NO 2341137886 ZMGRDPWBIGZMLU-BTTYYORXSA-N 437.543 1.564 30 10 IDEE CCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 44361096 DIQMOLNTZYUDBX-GEALJGNFSA-N 425.526 1.714 30 10 IDEE C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COS(C)(=O)=O 254517816 TZEYKLAAPSZABE-VIHOIMEUSA-N 438.542 1.542 30 10 IDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCN1CCO 427439511 RHUVVNSRPKAYMG-GOSISDBHSA-N 436.512 1.795 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@H]4CC[C@H]3[C@@H](CO)C4)nnc12 461434603 FXRPMKVTJCHJPB-YCPHGPKFSA-N 425.514 1.694 30 10 IDEE N#Cc1ccccc1N1CCCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCOC2)CC1 461686151 FXHUMBMMUUGJBE-RXVVDRJESA-N 438.532 1.991 30 10 IDEE N#Cc1c(CCCNC(=O)NCCc2nnc3n2CCC3)nn(-c2ccc(F)cc2)c1N 478114076 SWLVLYUYYZGCNO-UHFFFAOYSA-N 437.483 1.477 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(C(=O)N4CCCCC4)CC3)n2)cc1 490277118 YMQRTFFUVUGUKN-UHFFFAOYSA-N 449.515 1.388 30 10 IDEE CC1(C)NC(=O)N(CCCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 499576121 WCOBTGCPXWZJGA-HNNXBMFYSA-N 429.502 1.509 30 10 IDEE COC(=O)C[C@](C)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1cccc(F)c1 513139395 QRBQDJKLVZGFAU-QFIPXVFZSA-N 443.479 1.711 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 514475191 SIROXRLJUHMWCX-KRWDZBQOSA-N 429.517 1.647 30 10 IDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1 514646339 WAKDMDVOBDVCKE-IBGZPJMESA-N 437.565 1.831 30 10 IDEE CCOC(=O)[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1c(C)nn(Cc2ccccc2)c1C 545282855 OZYILJIQDFGLMJ-UZLBHIALSA-N 435.488 1.993 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 590914008 LZXDJLAHKOLHPI-KRWDZBQOSA-N 429.517 1.503 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 603798787 NMSDRDODLXTMIZ-ZDUSSCGKSA-N 431.464 1.149 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCO3)CCN2C1=O 619851282 YLYVTFXMJYZEFA-QZTJIDSGSA-N 435.488 1.468 30 10 IDEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCN(c2ccccc2Cl)C1=O 732468155 DWESLQHIPFUUAA-DVEDPGPFSA-N 431.880 1.613 30 10 IDEE CC(C)OC(=O)N1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 733761556 UHTBJCJTXZPBIP-GOSISDBHSA-N 441.488 1.889 30 10 IDEE COc1cc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc(Br)c1OC 742248610 FBMZMVGMTTWPBX-VLGSPTGOSA-N 438.278 1.999 30 10 IDEE C[C@H](CC(=O)NC1CCN(c2ccccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742541463 FGEKIMWBIDRTJC-OAHLLOKOSA-N 427.530 1.684 30 10 IDEE CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 745044252 HJCLBSFSEDUSRR-UHFFFAOYSA-N 425.363 1.047 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)cc1C#N 747496524 MVCRAHKAWRPELT-UHFFFAOYSA-N 442.497 1.571 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 750048651 MEELTVJHEGWEOB-HXUWFJFHSA-N 434.500 1.834 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 760403068 CSSBBGPWQVDAKL-UHFFFAOYSA-N 429.539 1.932 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)n1 760987531 MVTXCVILMZETBH-IBGZPJMESA-N 447.543 1.687 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2ccn(C)n2)cn1 765547219 KUJNTOYZKRSUKF-QGZVFWFLSA-N 446.581 1.226 30 10 IDEE C#CCN(C(=O)NCCCc1nnc(SC)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 774225496 JOPPBYUOYFPWEN-OAHLLOKOSA-N 427.596 1.421 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787566359 ZLCRYNFUZWPKOB-OAHLLOKOSA-N 435.502 1.124 30 10 IDEE C=CCNS(=O)(=O)c1cc(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)ccc1F 787692494 MDSUNXFGNOAZLT-SBOZKTOGSA-N 432.517 1.529 30 10 IDEE C=CC[C@@]1(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 790299202 MGTRTTKBRDZMFC-QRWLVFNGSA-N 443.566 1.142 30 10 IDEE CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 794429046 QIOHCDOJAKMYEA-QGZVFWFLSA-N 443.577 1.806 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797427192 YPUOVZRZCLOEJH-BBWFWOEESA-N 431.562 1.888 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)cn1 801289096 ZTKFTVRQPWOCMM-SFHVURJKSA-N 445.570 1.907 30 10 IDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 805091097 APKWIFWPDFDROF-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)cc1 917094133 UVAPXVZKAQBRRA-IBGZPJMESA-N 429.498 1.904 30 10 IDEE C[C@@H](O)C(=O)N1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1153301482 LMDXTMHAXAPFTP-DNVCBOLYSA-N 442.516 1.444 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1154867712 VGEYPGYLBJROPC-WMZOPIPTSA-N 440.500 1.102 30 10 IDEE Cc1ccc(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1158377248 SVSNVLFULNDWIR-UHFFFAOYSA-N 436.534 1.925 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1175931577 FTYZIOXDBZNXLD-RBUKOAKNSA-N 437.585 1.486 30 10 IDEE COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1179029066 IKQGIZWHGSVDKT-BNRUBQPISA-N 431.493 1.397 30 10 IDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1253133996 MSTFAXKMQOWDOC-UHFFFAOYSA-N 426.495 1.512 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1286324445 PUMKRPJSZGJNNC-LEWJYISDSA-N 436.560 1.934 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286363907 USFMYDNGWVUNGJ-YJBOKZPZSA-N 431.459 1.263 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1286426369 SXADFALFHSKKMC-UHFFFAOYSA-N 440.454 1.937 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1COCCO1 1286461211 PKAQORDMFKRSIG-IBGZPJMESA-N 427.505 1.649 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1286478604 GVYCHAUHQVNVEG-VGOFRKELSA-N 429.952 1.817 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)NC(C)(C)C)CC1 1286483432 KOCKBJSSNMYNQA-UHFFFAOYSA-N 438.576 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)CC)CC1 1286487240 LXOAXINISXLEIX-HKBQPEDESA-N 438.557 1.551 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286504551 RVWQUCOHRNUIND-UHFFFAOYSA-N 448.556 1.527 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1286766000 MKGOIDNVKUUEJO-GOSISDBHSA-N 441.536 1.823 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C(=O)OC)C1 1286786248 ACUWWSGLRAWHJC-MRXNPFEDSA-N 436.472 1.902 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1286789334 DRXQCMLHJNLUAI-UHFFFAOYSA-N 430.534 1.133 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1286906089 DKCICBHQLJGPSR-MOPGFXCFSA-N 435.532 1.836 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN([C@H]3CCOC3)C2)cc1 1291833287 YAIHMHRLPQGRRI-FGLUDEAJSA-N 434.562 1.939 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1300273910 SHWJVFLRUWAKDF-SJORKVTESA-N 430.578 1.405 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccco1 1300569526 NNVURUBFMVCETP-QHCPKHFHSA-N 442.483 1.884 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300684910 CKOWMSSDSPRIOX-LPHOPBHVSA-N 425.480 1.110 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2noc(CC)n2)CC1 1300688496 GNNDTGCJZVQMGG-UHFFFAOYSA-N 436.476 1.797 30 10 IDEE COC(=O)c1occc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1300976160 HXDINLUINRTAEY-UHFFFAOYSA-N 433.486 1.982 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1NC(=O)CC1(C)C 1301286937 MZMJSJINZRERFO-HNNXBMFYSA-N 431.566 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1301577567 LSRKTCBWCMIFJM-UHFFFAOYSA-N 437.529 1.886 30 10 IDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1301922339 JCSHZFFTLUTRHP-UHFFFAOYSA-N 434.504 1.458 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CCC2(CCOCC2)CO1 1303504266 FKPOUROOYLCNBH-KRWDZBQOSA-N 449.573 1.987 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)cc1OC 1304148436 JORXDWPQCZNSNO-IOBAAEILSA-N 426.473 1.468 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)CC1 1311636384 JKKUKCTYVPBLBW-UHFFFAOYSA-N 447.561 1.110 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)c(=O)nc1O 1312786591 ASRRFGNSHVQSQJ-NNUKFRKNSA-N 432.278 1.828 30 10 IDEE CCS(=O)(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1314558554 DQROVIQBHKXQAU-ARFHVFGLSA-N 426.587 1.732 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)(F)F)CCN1C1CC1 1316535421 NXUFIHLEWJKUFT-OAHLLOKOSA-N 441.458 1.617 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(F)c2F)N(CCC2CS(=O)(=O)C2)C1=O 1320750182 KURNTYJNSAJDMY-ZDUSSCGKSA-N 431.486 1.467 30 10 IDEE COCC1(c2noc(CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)CCOCC1 1324250509 KUJJEMHSVIBAHR-MRXNPFEDSA-N 425.445 1.693 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC(C)C 1358949295 YCXLMGYWCYVMGT-LJQANCHMSA-N 447.561 1.516 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1358964870 IWPBMWGJFOYAHV-GOSISDBHSA-N 447.536 1.161 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC1 1359018096 DHEMJFOMNTZOFX-QGZVFWFLSA-N 431.924 1.984 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OC 1359024909 YLTOCWQQLUJZES-GOSISDBHSA-N 432.546 1.632 30 10 IDEE C=CCOc1ccccc1Cn1c(CC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359309806 DXGAJNIRKFWQNG-GOSISDBHSA-N 438.532 1.237 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359332368 WAPZMJWARMRFAX-KRWDZBQOSA-N 436.582 1.577 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1Cn1cccn1 1360247818 HDXSWVFTHHCBIN-IBGZPJMESA-N 434.504 1.438 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(F)c(N2CCOCC2)c(F)c1 1435549965 AKMKMTCPWAARSG-AWEZNQCLSA-N 428.443 1.814 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccc(C#N)cc1=O 1459175208 GZZXFPSEWDJPPX-UHFFFAOYSA-N 444.513 1.932 30 10 IDEE CN(C)c1nc(N)nc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 1459895036 GUVTUSAYBJJEON-HNNXBMFYSA-N 431.342 1.665 30 10 IDEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCO[C@@](C)(C#N)C1 1460862075 YHVMXQMTONYOBP-NRFANRHFSA-N 449.577 1.480 30 10 IDEE CN(C)CC(C)(C)CNC(=O)C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1473182311 ZTTSHCHBHHXSPB-UHFFFAOYSA-N 438.572 1.702 30 10 IDEE CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1/N=CC=CC1=O 1498715326 RTIQTCIZTCSEBQ-VXPUYCOJSA-N 439.476 1.954 30 10 IDEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1501977840 HQFAGVUMMBPNLD-UTKZUKDTSA-N 439.564 1.888 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCC1 1503461442 AZVQHWDIQHHGTQ-SFHVURJKSA-N 429.546 1.993 30 10 IDEE Cn1cc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 1503656011 HXRRVJLOUXUHHT-IBGZPJMESA-N 439.545 1.806 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503936936 BCRROQXBLWIMLJ-NUJGCVRESA-N 426.525 1.931 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1503942904 FXWPTDVHHWICHR-HNNXBMFYSA-N 435.488 1.420 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1507527454 IBDKKHMUWBCNIS-MRXNPFEDSA-N 441.557 1.834 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1507573468 HRUXECNEBRBRFQ-OAHLLOKOSA-N 435.529 1.162 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1507631106 MCYBADVAJNNZPC-ZDUSSCGKSA-N 448.459 1.002 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C1CC1 1507821239 XBARNPXOLWXDLX-IRXDYDNUSA-N 427.571 1.438 30 10 IDEE C=CCCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507953042 CTVHUZXSMNQGMC-HXUWFJFHSA-N 441.598 1.757 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1508018412 DUCAKSFLFYXLFE-GOSISDBHSA-N 432.550 1.427 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508089980 LETFVMVRDLEDBS-SFHVURJKSA-N 436.520 1.415 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1508133945 PZILZENHESSXGJ-UHFFFAOYSA-N 444.966 1.434 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1508421688 CBLUKFYZKDVVJB-KBPBESRZSA-N 436.563 1.268 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)N(C)C 1510075573 DTVLZBVAHODAFE-ZTFGCOKTSA-N 426.477 1.793 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)(C)C)cc1 1518206444 COJHFPMNOLWXTD-IBGZPJMESA-N 440.548 1.963 30 10 IDEE CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1520581398 LMVWBRCJFMDGRG-UHFFFAOYSA-N 440.577 1.747 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CCC(=O)N2)cc1 1521101409 BPJHWZMMEMAZBO-DLBZAZTESA-N 437.504 1.099 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1 1535349586 HSBKTFLBOBGELS-OPAMFIHVSA-N 444.536 1.707 30 10 IDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)Nc2nc3n(c2C#N)CCOC3)C1=O 1537679418 MWBOTKUACCCFEP-IBGZPJMESA-N 446.826 1.483 30 10 IDEE N#C[C@]12CN(C(=O)c3cnc(OC4CCOCC4)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1539118606 ORTWLJPFHBVVSW-SCLBCKFNSA-N 425.894 1.303 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539154710 KESZFEZBBMFELZ-CQSZACIVSA-N 439.488 1.897 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1539220394 RPNFEBVCDYLOQN-MRXNPFEDSA-N 442.607 1.094 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1539260889 VZYJHQFVPJVMNB-UHFFFAOYSA-N 441.499 1.315 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1540006726 WAKPYMMXTOPRKB-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1540186905 IDVKJWVJDOFRGL-INIZCTEOSA-N 431.522 1.300 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1541803933 OEAMTTAZKBLEKL-AOMKIAJQSA-N 437.552 1.669 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNS(=O)(=O)c1ccccc1 1543249005 HGKRRWQOVGFRGE-UHFFFAOYSA-N 439.501 1.100 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)Cc1ccon1 1545185021 PUMPWGYXRHKKBF-CYBMUJFWSA-N 436.918 1.246 30 10 IDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)N1CCN(C)CC1 1561260380 CDWBMIQSZKJTAO-MRXNPFEDSA-N 428.352 1.700 30 10 IDEE CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1567248872 BXXKFMVAEAJXHA-OALUTQOASA-N 430.553 1.006 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)N3CC[C@@H](N(C)C)C3)cc2C1=O 1569836407 SXALEPMNTMHXDE-XLIONFOSSA-N 440.544 1.776 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1584347296 CIQSHWLRAJYTRS-OAHLLOKOSA-N 446.504 1.319 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@@]4(C)C(=O)NC(=O)[C@@]4(C)C3)C2)C1 1587061400 XWZQQBBXBMMEOX-INFXQOOQSA-N 430.505 1.284 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1587765770 JUQFCFHIBFBOCD-KRWDZBQOSA-N 429.550 1.100 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1588200427 PDXNQQWSSNXQHK-UHFFFAOYSA-N 432.937 1.492 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C[C@@H]1C 1588595155 NLEVKWAQWJJSRF-WMZOPIPTSA-N 431.562 1.937 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1588698049 XFGAURYAYKGKJC-KSZLIROESA-N 449.552 1.550 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589514280 FSFGCDDZIHEUCW-BQFCYCMXSA-N 434.566 1.725 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccon1 1595465977 BYLFEVJRSMMAND-UHFFFAOYSA-N 443.895 1.788 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595475497 DCGBPCGIRHVCDY-NYHFZMIOSA-N 442.495 1.576 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)c2cccs2)CC1 1595536473 AZAOGMQEOWSQHS-OAHLLOKOSA-N 442.545 1.692 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1596610065 LLIUATYYOZKOIV-UHFFFAOYSA-N 425.501 1.579 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1609506731 HIKRBAUDMANSNC-IXDOHACOSA-N 433.557 1.033 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1610091128 GHUFFWAIZPPMFE-HOTGVXAUSA-N 449.556 1.849 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2Cc3ccc(C#N)cc3C2)c1 1611216332 WYWOJZHTTISVRB-UHFFFAOYSA-N 440.525 1.801 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CC(OCC)C1 1616922988 TXHRYKVFPHPWAS-UHFFFAOYSA-N 441.536 1.338 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C[C@@H]1CC 1617220454 GDRCVNYXHGIZCV-FQEVSTJZSA-N 439.564 1.890 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1618135619 GUTUXIJNLOQNAJ-FQEVSTJZSA-N 440.548 1.924 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1620053450 MCYADPAUXAXCSJ-FQEVSTJZSA-N 441.532 1.990 30 10 IDEE CC(C)(COCc1ccccc1)NC(=O)NCCN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635153 DWGBWTYTYYSHDY-GHTZIAJQSA-N 434.562 1.151 30 10 IDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1632532897 KBHKQTYASPQVHW-SOUVJXGZSA-N 426.514 1.791 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCCCc2ccccc21 1636520059 YBFISUURTFWRLJ-UHFFFAOYSA-N 440.525 1.601 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@H]1F 1645901926 BPYKAJWOFPTFKQ-IAGOWNOFSA-N 439.509 1.937 30 10 IDEE CN(C[C@@H](O)c1cccnc1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1647517548 MMEBJYNYSDEHFR-GOSISDBHSA-N 430.530 1.873 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CCO)c2ccc(Cl)c(F)c2)cc1 1648804551 NWANGWGBEBFHIT-KRWDZBQOSA-N 425.869 1.869 30 10 IDEE C#CCN1CCC(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1652173742 YKSMUYHQVKTJGI-UHFFFAOYSA-N 435.546 1.120 30 10 IDEE N#C[C@]12CN(C(=O)C3(c4cccc(Br)c4)CC(=O)C3)C[C@H]1CS(=O)(=O)C2 1653072570 FMLDZZMETNINED-SUMWQHHRSA-N 437.315 1.447 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OCC 1656680138 RXEFJOMNBCMXKB-LBPRGKRZSA-N 431.312 1.976 30 10 IDEE CCOC(=O)c1c(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c(C#N)cn1CC 1662775252 BESDUZGFDHUABH-UHFFFAOYSA-N 437.522 1.634 30 10 IDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1665174763 JSGOXLHGWUZVEM-BRWVUGGUSA-N 430.592 1.959 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)CC1 1676915330 SJKNYFGJMKYYFZ-UHFFFAOYSA-N 444.479 1.532 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2Oc2cccc(F)c2)CC1 1678636297 RWMWXUHDWKJXCJ-UHFFFAOYSA-N 446.504 1.913 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(CCc3cnccn3)CC2)C1 1681435669 YAFUBASGEMEOKS-FUHWJXTLSA-N 429.525 1.105 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)(C)C1 1684502398 YWIGDJMOBBNOPP-AUSJPIAWSA-N 440.566 1.602 30 10 IDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689968652 BASFVNIJUPRXQA-UHFFFAOYSA-N 430.560 1.919 30 10 IDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689988811 WRTGMBRYSQUBJR-HNNXBMFYSA-N 427.530 1.824 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1690109655 YYGRYJISZRCNHN-UHFFFAOYSA-N 449.559 1.019 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CC2)CC1 1690114864 JPZFXERMKBLTNY-UHFFFAOYSA-N 442.589 1.751 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(C)nn2C)CC1 1690148875 YLRMYRKUDBCRNS-UHFFFAOYSA-N 432.532 1.320 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1690246528 VJTKQXHWTKUERD-BJLQDIEVSA-N 433.553 1.796 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690366205 SVOPHBFBAHFFEN-XLIONFOSSA-N 439.582 1.511 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1690729267 KIZUNVOCTIPPGR-HNNXBMFYSA-N 441.579 1.758 30 10 IDEE CCOC1CC(O)(Cn2c(C(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1696193619 CLKFDEWRTRQQGS-UHFFFAOYSA-N 425.537 1.925 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1697452537 APPAKHKVOQOLTL-YWZLYKJASA-N 449.508 1.688 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705499801 ZCMYBYIAWXCQTJ-PKOBYXMFSA-N 445.589 1.811 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@@H](F)C2)n1 1705631544 IILWPXDGUKQXAB-SCTDSRPQSA-N 443.527 1.850 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccccc2)CC1 1705632399 OQKFORNUKGSYKM-XMMPIXPASA-N 445.527 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2CC)CC1 1705649576 BAHFCZBBKMCUQS-OAQYLSRUSA-N 435.576 1.714 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705904927 CSRSPOQYLJBGKW-HDICACEKSA-N 444.555 1.856 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1711287351 FVIFSXDORKKSHS-UHFFFAOYSA-N 444.561 1.602 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCC(=O)N1 1712453170 DMNBJKVLHLRKEG-MRXNPFEDSA-N 426.477 1.361 30 10 IDEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712621056 FXZGMTPCNNIZQV-OAQYLSRUSA-N 440.548 1.986 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1722297168 YCAHNCNYTFOAOB-HZPDHXFCSA-N 427.571 1.132 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1722303531 OVYMOPRCSXAZNF-IWKHNONTSA-N 438.463 1.981 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1722382620 IZJOMQBBDKPZHU-MOPGFXCFSA-N 441.557 1.683 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1722423417 BWRDACQWNXYYOE-UHFFFAOYSA-N 441.488 1.009 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2noc3c2CCCC3)CC1 1722432301 XUUVBFAWBOJJFW-QGZVFWFLSA-N 428.537 1.672 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)[C@H](C)CC)CC1 1722441445 QIFZNFIVNPGXMS-HXOBKFHXSA-N 444.580 1.277 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2nnn(C)n2)CC1 1722444579 BPXFYHYWEWUNLG-UHFFFAOYSA-N 439.911 1.136 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2csc(CC)n2)CC1 1722445761 BOYWNMZCISPNMD-UHFFFAOYSA-N 436.545 1.768 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCOC2)C1 1722626921 JVNNAVBSFYXANS-NRFANRHFSA-N 447.561 1.858 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722742905 KJYBHYUQJLRZOJ-MRXNPFEDSA-N 433.582 1.360 30 10 IDEE CC(C)(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1722919003 ACMBTHYWDSXOGY-KRWDZBQOSA-N 432.550 1.617 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1724012794 ZRGZZQRODQYLMJ-BXTJHSDWSA-N 434.566 1.225 30 10 IDEE CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)CC1 1728609087 RHSLETLNBUQMRG-JBACZVJFSA-N 445.612 1.768 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728957733 DBJCGIQRRAERDR-SAZZCXPWSA-N 430.509 1.661 30 10 IDEE CC[S@@](=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729231054 JGDDWTODYNXCFO-JKGBWWFKSA-N 448.549 1.306 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(C)=O)CC2)C[C@H]1OC 1730987815 DTLLLLGCQPPYTF-OYRHEFFESA-N 438.532 1.925 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1740534464 ZCQDGPPFXNBTFJ-RYUDHWBXSA-N 445.471 1.398 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740593004 OWQLSYNHAAOMBP-UHFFFAOYSA-N 430.516 1.498 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740880313 DUCKHXWGRCZPTK-QZTJIDSGSA-N 442.520 1.902 30 10 IDEE CC(C)N1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741629803 KPHZWTSFFIWELH-XUTLUUPISA-N 436.520 1.397 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1744512774 HRDPKBNOLDLBAN-UHFFFAOYSA-N 426.525 1.493 30 10 IDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1746668380 DRIZSHGRTOFPPY-YLJYHZDGSA-N 437.566 1.495 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1747998014 AAXBSTWYMDOJAC-UHFFFAOYSA-N 440.485 1.723 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N[C@H](C)CC 1748776365 GTSRTBCIZXKCMW-MRXNPFEDSA-N 446.577 1.570 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1748842652 QQHWHXHGBGHYMU-UHFFFAOYSA-N 430.497 1.473 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1749114316 ABGYJQAPHPSFAM-MJGOQNOKSA-N 432.569 1.846 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N2CCOCC2)CC1 1749330943 SHMJCMKBLJGCRG-QFIPXVFZSA-N 433.553 1.580 30 10 IDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1749471483 OWVVHCYLUANWLE-UHFFFAOYSA-N 428.537 1.749 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC2(CC1)CNC(=O)C2 1749730062 YMFAIZYIPJTTIL-UHFFFAOYSA-N 443.573 1.961 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1752280331 WWXGCFFVNQNZJY-MSVBSMQLSA-N 441.536 1.204 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCOCC1 1760199084 OEEKSBXCGNWDOJ-UHFFFAOYSA-N 445.531 1.106 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760203102 VQFJJALALDMVGE-SLFFLAALSA-N 439.539 1.939 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1760225374 OLVWAHFFAOGMSW-MRXNPFEDSA-N 427.534 1.582 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnnn2C)CC1 1760270908 FIXHBOIYOVPCGN-UHFFFAOYSA-N 448.531 1.308 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1760494940 ANCFGLGXHXADCO-GOSISDBHSA-N 433.534 1.543 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513068 IQDSPQKXHGOBQB-WMZHIEFXSA-N 446.596 1.638 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCC2=O)CC1 1760526824 UUUJWJDPSGRCNE-UHFFFAOYSA-N 440.552 1.033 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760556176 WMTXJUHJMHMYIR-MRXNPFEDSA-N 447.517 1.854 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1760577269 FTRAUOBQVRELHD-UHFFFAOYSA-N 449.519 1.353 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1760693885 SMSDBBYLHQBGDX-CQSZACIVSA-N 434.522 1.251 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@H]1CCCO1 1761478630 NQPRXHLAKJOWFY-DOTOQJQBSA-N 440.570 1.214 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCc2nccn2C1 1761479418 ORKFDZMJWNIKLK-HZPDHXFCSA-N 446.581 1.477 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1769994643 KVYBLMKZRADJDA-RDTXWAMCSA-N 429.518 1.269 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CC(=O)NCc2ccco2)cc1 1771534872 RLGSYVNPDNRNMT-UHFFFAOYSA-N 436.472 1.865 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCNS(C)(=O)=O 1772523319 DCZFEWOQCUDSGV-HXUWFJFHSA-N 433.534 1.504 30 10 IDEE O=C(CCNS(=O)(=O)c1ccccc1F)NCC#CCN1CCc2ccccc2C1 1850069668 AVYBCAKYFUJZRS-UHFFFAOYSA-N 429.517 1.672 30 10 IDEE CN1CCN(c2nc(NC(=O)c3ccnc(Br)c3)c(C#N)cc2C#N)CC1 1851778494 PYVJYOPDEMXUGB-UHFFFAOYSA-N 426.278 1.987 30 10 IDEE N#Cc1c(F)ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1F 1851993020 QDYIVHFQACJHSM-SECBINFHSA-N 426.367 1.884 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC#Cc1cccnc1 1852823974 MIXGRUCJBTZOAQ-UHFFFAOYSA-N 429.498 1.283 30 10 IDEE C[C@H](C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC(C#N)CC3)ccc21)[C@@H]1CCOC1 1855862482 OHWLYJKBXJCYID-GOEBONIOSA-N 431.514 1.699 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)c2ccccc2N(C(=O)CN(C)C)C1=O 1856376436 RQTAJMRBDIYIMY-OAHLLOKOSA-N 426.498 1.824 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@@H]3CCc4ccccc4C3)C(=O)O2)CC1 1856653060 KZSMTWDNJOMVDL-RTBURBONSA-N 431.514 1.704 30 10 IDEE C[C@@H]1CC(=O)N(C(=O)CN(C)C)c2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1 1857272017 QHEIIJUDYYQINM-OAHLLOKOSA-N 426.498 1.967 30 10 IDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562907 YPZHALARWIXSDP-UHFFFAOYSA-N 435.532 1.793 30 10 IDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2)c1 1889715700 QQLBRBDGIGGPIR-AEFFLSMTSA-N 434.452 1.757 30 10 IDEE C=CCC1(Nc2cnn(CCO)c(=O)c2Br)CN(C(=O)OC(C)(C)C)C1 2106024799 ZOGHRWHMNIUHPZ-UHFFFAOYSA-N 429.315 1.976 30 10 IDEE COC(=O)[C@H](CCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2224124821 OURSTMOOSFJPIW-HNNXBMFYSA-N 435.330 1.671 30 10 IDEE C[C@H]1[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2248401299 HMJYNJLIEBQTQH-NWDGAFQWSA-N 438.359 1.843 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255812333 GWGLXJDSLYWCTE-CQSZACIVSA-N 436.314 1.945 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2258230287 WJQKKVPXTSVXSI-UHFFFAOYSA-N 429.248 1.607 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]21 2267144848 BSMRAYRMEGNCRX-GJZGRUSLSA-N 448.329 1.169 30 10 IDEE Cn1nc(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267545041 CSDAOWXQQFZKES-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2267873148 NTHBNFSCEZURLE-SFHVURJKSA-N 438.337 1.407 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1 2268651325 OEPDEMSQQSMEFP-UHFFFAOYSA-N 447.341 1.874 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2315534308 OHVJFMYOCHPTEA-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE Cn1nc2c(c1CNC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCCC2 462361901 ZCBYGEBDCRGSKL-UHFFFAOYSA-N 441.557 1.888 30 10 IDEE C[C@@](O)(Cn1ccccc1=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 468275655 BSKIBZQUNWJFCK-JOCHJYFZSA-N 438.463 1.127 30 10 IDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCN(c2ncccc2C#N)CC1 471623694 CMNIRNHLKPSGPR-LJQANCHMSA-N 435.406 1.234 30 10 IDEE CN(CCC#N)S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 474391602 JGAOFKBZXNBFQV-DLBZAZTESA-N 436.534 1.350 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489206089 UNXFJHXPZFAGMF-KSSFIOAISA-N 444.488 1.281 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)CC1 492355223 UUBVVKVBXPZWTH-UHFFFAOYSA-N 426.517 1.859 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 508912080 KDSBTSLISAMGFH-DLBZAZTESA-N 435.554 1.143 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1C#N 512726048 STBUBZYKEMVAGH-UHFFFAOYSA-N 446.536 1.406 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)CC2)c1 513710525 UNYSFGURAQPESG-SFHVURJKSA-N 440.529 1.248 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C)c1=O 514648476 UTWAMDVFZQPHSQ-UHFFFAOYSA-N 431.517 1.998 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)CC1 522317800 BDUWBGLLETVRQJ-OAQYLSRUSA-N 443.592 1.852 30 10 IDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COCCOC)cc2)c1=O 571317016 AZEKVJXXDAKROM-UHFFFAOYSA-N 426.538 1.965 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OCC(F)(F)F 732707660 ALHAQNMJVMBKBK-AWEZNQCLSA-N 426.395 1.774 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)c2C)nn1 734291265 LKDWFCSXMCXVGC-UHFFFAOYSA-N 426.458 1.668 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1Cc1cccs1 735068947 MYZUFQXYEOWIPA-UHFFFAOYSA-N 441.582 1.655 30 10 IDEE Cc1cc(N2CC[C@@H](OC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2=O)n(C)n1 744898367 GJGBVVIRAJNFNK-QGZVFWFLSA-N 430.486 1.768 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 750303177 QULNPWHEJKWWLV-KBPBESRZSA-N 425.482 1.767 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1CCN1CCOCC1 768502270 MKNXTGYPJJCNKX-UHFFFAOYSA-N 443.532 1.331 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C#N)c1ccc(Br)cc1)c1cc[nH]n1 770824732 QQTQGGCCBARCIP-CQSZACIVSA-N 434.250 1.837 30 10 IDEE COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 781439607 CTFXCVJBOMQPBS-UHFFFAOYSA-N 446.261 1.669 30 10 IDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CC1(C#N)CCC1 790051448 QDBVNKSUNAKGMK-INIZCTEOSA-N 442.582 1.896 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)CN2CCOCC2=O)cc1 790729652 IFHCLQKDBSCBQX-UHFFFAOYSA-N 440.456 1.315 30 10 IDEE COc1c(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cnc2c1cnn2C 790861715 IYXWTUMTTFHYQK-UHFFFAOYSA-N 439.375 1.986 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3cccc(S(C)(=O)=O)c3)cc2C1=O 791479759 YISGPLYESGQWOF-UHFFFAOYSA-N 427.434 1.912 30 10 IDEE C#CCN(C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)[C@H]1CCS(=O)(=O)C1 793153146 FNNYKHLRTZFFGL-GBESFXJTSA-N 441.509 1.227 30 10 IDEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O 795466621 CFPLEKDGBCDOOU-HOTGVXAUSA-N 439.559 1.360 30 10 IDEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 798747581 KIZSYKDKDXZPCF-UWVGGRQHSA-N 436.350 1.647 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)=NO1 798989962 DUOAUNVOQQMQHT-SJORKVTESA-N 441.488 1.839 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 918162804 BPJMHAPKRLBRGB-KQWNVCNZSA-N 449.533 1.549 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 925932420 LJIYEXMPHNFHDT-PBHICJAKSA-N 433.486 1.735 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)cc2S1(=O)=O 1132857699 NBKQLWKFBFYRSI-KRWDZBQOSA-N 425.466 1.246 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3c(I)n[nH]c3C)CC2)c1C#N 1141621518 BBYCKPNDLHTMML-UHFFFAOYSA-N 442.286 1.922 30 10 IDEE Cn1cnnc1N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1144236888 ILHNPEIZPDJMMV-TZQQIIETSA-N 429.525 1.251 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)c1 1146697264 FFEOXSCCCLPQAF-JTSKRJEESA-N 433.526 1.914 30 10 IDEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179650736 IGRJMXLZYFTQJB-PMUMKWKESA-N 429.564 1.126 30 10 IDEE C=CC(C)(C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1196580920 XNWBOXLMQDAZOZ-OAHLLOKOSA-N 429.564 1.876 30 10 IDEE CN(C1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1)S(C)(=O)=O 1197301302 GYSISSFNLMCQCK-UHFFFAOYSA-N 436.353 1.365 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)c1ccc(Br)cc1 1211982523 VOFQEAUKMDNICK-AWEZNQCLSA-N 429.317 1.900 30 10 IDEE C#C[C@H](CC)NC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1229531091 HPXNYUGIHIBASK-BPQIPLTHSA-N 433.553 1.975 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)c2ccc(Br)cc2)CC1 1255917176 XJSOWMDBSPCVKB-CQSZACIVSA-N 443.367 1.347 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1286353204 SFURNDFZKVFJTO-CVEARBPZSA-N 432.525 1.312 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1286478815 LEEJESSCUMCUPB-UHFFFAOYSA-N 437.592 1.902 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286512476 VJNUHLBCXAKSDT-INIZCTEOSA-N 448.593 1.870 30 10 IDEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1286677656 HAXQCNUMDFJSDE-WMZOPIPTSA-N 446.577 1.527 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1286810960 YEJBDTRUOLJFOU-HZPDHXFCSA-N 437.566 1.007 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1288977046 IDQSRSWAOBFGBG-AQMPTVPWSA-N 432.488 1.997 30 10 IDEE Cn1c(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2n(C)c1=O 1289112322 NOTMTFBZSUPFGQ-UHFFFAOYSA-N 440.481 1.567 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)Cc2cccc(F)c2)n1 1289988009 GIBCXZNFVBRDIV-IBGZPJMESA-N 449.490 1.875 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1290860508 BYOHPMGGMOPUOX-HIFRSBDPSA-N 438.937 1.352 30 10 IDEE Cc1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1290867006 HOQVBTSLOPRKBX-CALCHBBNSA-N 425.537 1.726 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CCOC1 1299800621 DMQDSWKCHQCMDI-CVDCTZTESA-N 438.532 1.975 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1300506204 PBHMRSPFOLFLSN-INIZCTEOSA-N 445.449 1.882 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300596897 YRTWJHOXGSAKTD-SRYPRDQNSA-N 428.533 1.803 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1300601643 JQKOXQVNVJVYMH-FRQCXROJSA-N 425.555 1.076 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N(C)C)CCCC2)CC1 1300682228 IKFTZWOVPRSRTL-UHFFFAOYSA-N 429.613 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(F)(F)F)CC1 1300711343 YNWFXQGHMJYTIG-UHFFFAOYSA-N 428.459 1.725 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300763349 USWNDHNMDJTPIC-QGZVFWFLSA-N 448.593 1.059 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCCC1 1301281395 MIZFOIIOBOXHGY-UHFFFAOYSA-N 442.549 1.900 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301490855 GRFIOTLFEGGWOC-UHFFFAOYSA-N 444.561 1.580 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@H]2C(=C)C)C1 1301538164 FWEMJKCBLMSSRR-FJIDUMEYSA-N 439.582 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](COCC)C1 1301584451 AIPLJWHBFOFNFA-HZPDHXFCSA-N 425.555 1.083 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1C(C)(C)C 1301595835 BRXCAAKZAUJKCG-KRWDZBQOSA-N 425.599 1.335 30 10 IDEE CCc1ccccc1OCc1nnc(N(C)OC)n1CCN/C(O)=C1\N=CC=CC1=O 1305978229 LTBJDYHBRORKNH-FMQUCBEESA-N 426.477 1.944 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1309798311 YOMWZHBKAFESSX-IBGZPJMESA-N 436.530 1.204 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CCN1S(C)(=O)=O 1316495359 GMSARPSIVZMUIV-QFBILLFUSA-N 442.545 1.980 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)C1 1320324363 CCMFVEFTSKRWLL-QGZVFWFLSA-N 433.553 1.884 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC2)c1 1358901711 UPLZXAIDPCGVBI-AWEZNQCLSA-N 430.534 1.355 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCCCC2 1358941288 DIPVXZDDAYDEJP-UHFFFAOYSA-N 439.545 1.784 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCC1 1359023311 GVLHLQLXRIDWQY-UHFFFAOYSA-N 436.516 1.676 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(N(C)C)CCSC2)CC1 1359030079 NUEYOIBIGWGPEJ-RXVVDRJESA-N 436.626 1.195 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(=O)(=O)CC 1359067757 ACJSGEQGDVOVGG-OAQYLSRUSA-N 445.545 1.995 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359141245 ANSQESAUUFRRHF-INIZCTEOSA-N 438.960 1.777 30 10 IDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1359146597 CZSKLNOOWIOSAA-UHFFFAOYSA-N 439.925 1.550 30 10 IDEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359211428 DBHWLUCUWXNRNQ-UHFFFAOYSA-N 432.492 1.118 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359295086 PQAXAYWPORSVJV-UHFFFAOYSA-N 429.525 1.779 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1359297977 ITQKGUIFLRLXSF-FQEVSTJZSA-N 434.548 1.692 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1359300101 UDRZELYNIPWDNH-DLBZAZTESA-N 446.458 1.388 30 10 IDEE C[C@H](CC(=O)Nc1cccc2c1CCN(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 1453559631 AOWDUUDJMXDWEU-CYBMUJFWSA-N 426.498 1.771 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)CC1 1455116006 VPKAJEWYLBGWGS-UHFFFAOYSA-N 439.537 1.760 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1 1457060895 NGKFPYPVBVDWOC-NJAFHUGGSA-N 433.530 1.868 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 1471260867 YTFVYTXQVDKKHB-UHFFFAOYSA-N 446.550 1.937 30 10 IDEE C=CCC1(O)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1471823356 OUEZNZJWXBSVHO-UHFFFAOYSA-N 445.335 1.233 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C[C@@H]1C 1503889911 QYLWGDWUKMSCES-AWEZNQCLSA-N 435.492 1.763 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1507616521 KNHUTSLSIHVKBO-HRAATJIYSA-N 435.525 1.461 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1507679203 IIUCYKUQOAWPOS-CQSZACIVSA-N 445.549 1.291 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(C)(=O)=O)CC1 1507721202 LSQVUICNNPALRC-UHFFFAOYSA-N 425.917 1.537 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(SC)CCOCC2)CC1 1507740867 GQJOENSIJJGHED-UHFFFAOYSA-N 435.594 1.693 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507857653 QRTOMCPMKLBHOA-INIZCTEOSA-N 441.960 1.830 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507895586 AOJCMKUXOLYUFW-SJLPKXTDSA-N 441.598 1.829 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507913517 SPDYRXMPKBELER-OAHLLOKOSA-N 436.524 1.869 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1509673890 ZZQBQEPFSSMXQE-KRWDZBQOSA-N 441.536 1.478 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)c1 1516183304 DCNMMQPCYOIRTJ-UDXHRHDRSA-N 440.525 1.896 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)cc1 1516330851 HJBGTUHHZLDQKZ-MXAZQTAVSA-N 446.451 1.753 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CCO1 1517534164 COTADKDOFCVEOZ-INIZCTEOSA-N 434.447 1.440 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3cc(C#N)ccc3F)cc2)CC1 1521746069 HNLHXZSEQGGMTE-UHFFFAOYSA-N 431.445 1.634 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(C(=O)NCCOC)CC1 1528207844 NHDNEAFTCOFVCW-UHFFFAOYSA-N 440.294 1.510 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)cc1 1536573979 RPMFTGNOYZKUQE-IBGZPJMESA-N 432.546 1.790 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1539148684 MYCKFACVZJHWLT-ZDUSSCGKSA-N 445.467 1.947 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1539154203 CSJTUVYPFPJZLP-AWEZNQCLSA-N 442.476 1.029 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C)COC1 1539273486 UOEWXNJJBQWQFM-UHFFFAOYSA-N 432.572 1.752 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1539370349 VWWIBBCDAQNYMK-IBGZPJMESA-N 449.552 1.761 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)CC1 1539431195 PYYFIHFLECQOOO-MRXNPFEDSA-N 434.541 1.139 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC1 1539446101 QKYWBMOCUYXJKB-QGZVFWFLSA-N 428.924 1.695 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539643962 YJWAHMFGTLUGQY-LZLYRXPVSA-N 427.571 1.266 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1539750934 FACUIOZMLDCBKM-BBWFWOEESA-N 439.582 1.296 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540006178 ROCKRTBBSMIIJN-KURKYZTESA-N 438.598 1.250 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540198894 SRGVILZIGVELPO-DLBZAZTESA-N 427.571 1.092 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c(F)c1 1542698950 DSCGLWCBQOKXGP-MRXNPFEDSA-N 429.473 1.971 30 10 IDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1544065893 AJZUEKJGEIURPX-ZJPYXAASSA-N 436.582 1.029 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2c(s1)COCC2 1558481749 ZMXYNKGUKLXPEX-OAHLLOKOSA-N 448.570 1.985 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@H](O)CC2(C#N)CCOCC2)C1 1559508675 PGKQKACAKMERGH-ZWKOTPCHSA-N 438.569 1.411 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)CC1 1564879377 ZDEJXRKBWKUXEH-OAQYLSRUSA-N 449.621 1.283 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1 1564924318 KBKAJAOYQHGZLL-UHFFFAOYSA-N 425.510 1.739 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1 1570771293 CCLVDPNNABHZQP-SFTDATJTSA-N 427.526 1.821 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1587638396 DNLSVRLXZUEEER-DLBZAZTESA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1587989270 IFZXGKNVCFZCDB-IBGZPJMESA-N 429.546 1.566 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588055231 UFBKVAMHYHZQBX-ICSRJNTNSA-N 443.573 1.545 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588059742 UBXKWYYHEREMQR-WMZHIEFXSA-N 442.585 1.937 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CSCCS2)CC1 1588733484 VBIQYBPWSHTENM-QGZVFWFLSA-N 436.651 1.800 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1589496281 XEVIYBAWJFBIMT-WOYTXXSLSA-N 425.555 1.237 30 10 IDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594662034 ZSURODFQENVUBR-KSZLIROESA-N 446.552 1.831 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595556171 PWJQVIKZCVBYQR-JKSUJKDBSA-N 431.880 1.939 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595562437 YYHRODQNYHJZMS-UHFFFAOYSA-N 436.438 1.914 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCCN(C(C)=O)CC1 1595577142 JYSDPKCTJLKNTQ-UHFFFAOYSA-N 440.548 1.835 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1595722882 OMJKSEJKMJZMRR-OTWHNJEPSA-N 433.553 1.796 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)C1 1595729684 NUMBBXRXIITMLD-YJBOKZPZSA-N 449.533 1.121 30 10 IDEE N#Cc1ccc(OC2CCC(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)nc1 1596575129 ZSEODNCMLHVDJH-DQPZFDDXSA-N 427.436 1.084 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CCO1 1596632250 AAQWPWDKGROBDP-DYESRHJHSA-N 437.548 1.642 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OCC 1596777587 GGUDJQPBBBQQMS-MRXNPFEDSA-N 448.900 1.651 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 1597903638 ITQNXUMKNKDVIW-UHFFFAOYSA-N 441.509 1.661 30 10 IDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCOCCS(C)(=O)=O 1612583585 ZARCAWXETJCQIF-FQEVSTJZSA-N 431.562 1.979 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1614070993 CFTNHXNTNXDHSD-GOSISDBHSA-N 425.562 1.580 30 10 IDEE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/CCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614465088 ADHLLVLYTWRLEA-DBWPAYQISA-N 447.572 1.762 30 10 IDEE C#CCOc1ccc(Br)cc1CNCC(=O)NCC(=O)NCc1ccccc1 1621064415 DQFHQYSOGGUYAB-UHFFFAOYSA-N 444.329 1.983 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)C2)nn1 1622925235 DLRRIQXODBQRAS-PYCFMQQDSA-N 445.505 1.382 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)c(F)c1 1623601205 DZUHHFDLAFKROE-KRWDZBQOSA-N 430.411 1.392 30 10 IDEE C=CC1(CC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1623951477 RCXXLWVBKFRLSE-QRWLVFNGSA-N 428.551 1.652 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3cccs3)nc3c2cnn3CC)CC1 1626966808 QZRRGVWBLQXRLF-UHFFFAOYSA-N 436.541 1.687 30 10 IDEE N#Cc1cn(CCNC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c(=O)nc1O 1628375264 CYSMYZNWZFHWSR-UHFFFAOYSA-N 444.495 1.883 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CC)CC(=O)Nc1c(C)cccc1C)c1cc[nH]n1 1628732951 XZDQDJHJIPNVTR-UHFFFAOYSA-N 429.477 1.798 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3cc(CC#N)ccn3)CS(=O)(=O)[C@H]2C1 1631054781 IZCLSUOEZNHHCM-XHSDSOJGSA-N 434.518 1.756 30 10 IDEE CC1(C)OB(c2ccc3cc(NC(=O)c4c[nH]nc4S(N)(=O)=O)ccc3c2)OC1(C)C 1633547494 NNJQRXCXRWFTGU-UHFFFAOYSA-N 442.306 1.762 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1637908600 BUSXZUZPNHWGBK-JOCHJYFZSA-N 445.495 1.577 30 10 IDEE N#Cc1ccc(Br)cc1OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1643982192 AXZBCKOJWCGPKI-HNNXBMFYSA-N 442.335 1.031 30 10 IDEE CCOc1cc(C(=O)OC)ccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1644897845 GIWURASQOMTQFF-UHFFFAOYSA-N 431.470 1.939 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)C2)c1 1647933459 WQKFGYVNUHPFML-FQEVSTJZSA-N 435.484 1.741 30 10 IDEE CCC1(N2CCOCC2)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1648346301 CFOJOXIEQRVMOK-UHFFFAOYSA-N 434.562 1.596 30 10 IDEE Nc1nn2c(=O)cc(CN3C[C@H]4[C@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)nc2[nH]1 1654968840 VTHSWDDMBBGORM-BQBZGAKWSA-N 432.275 1.603 30 10 IDEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1681942151 IRELWCISBFSIML-IBGZPJMESA-N 431.562 1.932 30 10 IDEE C#CCC1(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCOCC1 1682095440 IQXDKRITELENOQ-IBGZPJMESA-N 431.508 1.715 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCS(=O)(=O)CC)c1 1689872284 UBKQHFBXUMYNPV-UHFFFAOYSA-N 431.562 1.968 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1689936742 BJPPHROEHXCHCA-JOCHJYFZSA-N 442.589 1.984 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1690072882 XWMYCTFCKTWAIV-UHFFFAOYSA-N 447.421 1.330 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCOC2)CC1 1690117721 SPIHASTXQFRENS-NRFANRHFSA-N 431.924 1.514 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)C 1690159830 NVRQLIURAXJGDD-UHFFFAOYSA-N 449.602 1.676 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690321470 BXRKUCXSYVNFAD-RTBURBONSA-N 432.569 1.465 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](COC)C1 1690340979 CYJOJOIIXPVBRQ-AWEZNQCLSA-N 440.957 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1690729523 OVYLAFCGYVURES-OALUTQOASA-N 448.593 1.888 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1C 1693121765 KXSGWFLFCXRQCU-MOPGFXCFSA-N 440.504 1.682 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1=O 1696879985 CZMADFFBKQDWEU-INIZCTEOSA-N 447.465 1.979 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1697714185 ONUXPSXIBPFRQE-GOSISDBHSA-N 438.532 1.975 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1705550139 SIFIPQVJQPPOIV-KRWDZBQOSA-N 435.532 1.108 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1705550259 WEEXHUDJEGBUGJ-PMERELPUSA-N 426.546 1.903 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCN1CCN(C(C)=O)CC1 1705585853 LYJVEIJBVJECDO-UHFFFAOYSA-N 448.571 1.711 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705588005 SAIJKNGIODYHNK-GOSISDBHSA-N 427.530 1.501 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1705614644 POZIXVCYDNVTNX-IAGOWNOFSA-N 435.525 1.461 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2cc(C)nn2C)n1 1705631731 ORTDZKJJGOCRIQ-UHFFFAOYSA-N 433.520 1.846 30 10 IDEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705719855 NIMTYDXWXXFNQU-OAQYLSRUSA-N 445.545 1.681 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705761623 VHQSILXSSWHVAM-INIZCTEOSA-N 445.549 1.363 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1705889994 PVTHJBHZRYGPHI-KURKYZTESA-N 429.569 1.042 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1706002899 MUIGCYXLXBKLST-UTKZUKDTSA-N 437.548 1.188 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1710166152 AGDMKPSLSMBZLL-SFHVURJKSA-N 433.534 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722286425 HVWJNUHJBVLPCY-JKSUJKDBSA-N 447.561 1.702 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722453503 VIAFVYXLSROSAA-KRWDZBQOSA-N 433.578 1.655 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722505086 ISWYCSLILTWQPK-CRAIPNDOSA-N 434.566 1.772 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)C(=O)C1 1722508616 SWTFQQDULUBUFC-FXAWDEMLSA-N 428.537 1.560 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722609111 SHTVJCLJTCTKEA-KGLIPLIRSA-N 438.520 1.927 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cccs1 1722690558 LGEQFKPKAWMTDK-UHFFFAOYSA-N 425.518 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@H]21 1722730173 KMMDLYZIOQRWPX-LSDHHAIUSA-N 435.575 1.859 30 10 IDEE CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722773478 GAGLNSKCAYWVQU-VXPUYCOJSA-N 443.552 1.452 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 1722795251 FPASVRZAGYPTNC-ROUUACIJSA-N 437.548 1.594 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C[C@H]1N1CCOCC1 1726725064 YQBQILWVTKWUPC-YLJYHZDGSA-N 440.548 1.657 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncn(-c2ccccc2)n1 1727229598 GBJMHKCEHUVJSM-GOSISDBHSA-N 449.519 1.554 30 10 IDEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1729603033 APNASSXAMPXYEH-MNOVXSKESA-N 445.833 1.965 30 10 IDEE Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1729603035 APNASSXAMPXYEH-WDEREUQCSA-N 445.833 1.965 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC[C@@H]1C 1730403424 GXFHAUYIOWYHLH-DKZVUGQWSA-N 427.505 1.741 30 10 IDEE COCCN(C)CCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1730733780 DLQPLHMPYIHQLS-UHFFFAOYSA-N 443.600 1.394 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1730918955 KCRBOVGNBYFKIV-JPYJTQIMSA-N 438.532 1.784 30 10 IDEE CS(=O)(=O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1731018629 AAEWJHMLNAHBBM-QGZVFWFLSA-N 426.905 1.513 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccsc2)nnc1N1CCCOCC1 1731217059 CPNQYVLWIRLPRN-HNENSFHCSA-N 428.518 1.684 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740570169 BORLADVHMAUCOS-RTBURBONSA-N 425.537 1.751 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1740571286 LXGFIPFTFYJQGW-KRWDZBQOSA-N 436.516 1.847 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740598037 BQTXEIOSYNFBGQ-FPOVZHCZSA-N 444.580 1.160 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740624153 GHRYXYGZLPHXJP-ZWKOTPCHSA-N 434.587 1.982 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCO 1740653772 XZYSFDSTMGCVPN-UHFFFAOYSA-N 434.500 1.054 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1740689096 ONMLUWVVBWEDLG-NRFANRHFSA-N 441.624 1.780 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C)CC1 1740696560 XJTYLASWLVGHDQ-FQEVSTJZSA-N 427.574 1.487 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H](C)N(C)C)CC1 1740700105 GEYOYTZTQHZCMK-IBGZPJMESA-N 426.565 1.961 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740889576 PLKYHVPJTLWFPN-SJORKVTESA-N 441.598 1.612 30 10 IDEE C=CCN(c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1740911982 MFAQSHKPXZSTEA-UHFFFAOYSA-N 448.618 1.797 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1740948516 KQBKHYWJWVJCLP-KRWDZBQOSA-N 429.569 1.156 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740951486 GYHPPXBFEWXVIL-ZBFHGGJFSA-N 444.467 1.500 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740961158 NLWRCJSEYLVLLI-WBVHZDCISA-N 428.468 1.245 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740964019 FCBQOCDXJHRRHT-QGZVFWFLSA-N 440.504 1.417 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(=O)(=O)NC)C1 1740978418 USAPFCUBCKXCTJ-KRWDZBQOSA-N 442.545 1.824 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1741636414 GONKKXYMUQKOCT-UHFFFAOYSA-N 435.488 1.834 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@H](C)C#N)CCC2 1742500967 KVOJNLCJWJIXOT-HYVNUMGLSA-N 431.566 1.859 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1748817800 QNWQROMBYRLNJM-INIZCTEOSA-N 434.566 1.818 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1748819305 MQVHUIHPQBXYFJ-LJQANCHMSA-N 445.589 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1748842740 UNUZXSPCQPUXHH-HSZRJFAPSA-N 432.484 1.070 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1748906218 RRZUKTPJOXNMKM-UHFFFAOYSA-N 438.866 1.702 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1748922825 NFKDXAYIOGZHOG-INIZCTEOSA-N 449.515 1.548 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1748957097 USIYYZOHQWVHEZ-INIZCTEOSA-N 448.545 1.483 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)CC1 1748989321 KWUCOAIULSOPLT-VQTJNVASSA-N 448.637 1.056 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1749159093 ONMOFNOUQLJHMJ-ROUUACIJSA-N 425.599 1.551 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749220318 FCBJMTLZIUCGLU-KRWDZBQOSA-N 425.493 1.406 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749454175 CZJJJSKTQQYWCC-JKSUJKDBSA-N 433.509 1.839 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C[C@@H]1C 1749873291 FCLNNZUWSOWLQO-MYGHRHJXSA-N 442.589 1.885 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1750206506 HJZPUNGYZWYXMK-UHFFFAOYSA-N 433.534 1.087 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1750386321 JDPXTKZCVGZBBR-RTBURBONSA-N 440.504 1.774 30 10 IDEE Cc1cccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1751415520 YDWWTLHRRJKYNQ-XGIGFIBQSA-N 449.515 1.700 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CS(C)(=O)=O)c1 1760120929 RBBUBKWBKFNQQC-INIZCTEOSA-N 429.546 1.451 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1760219853 QATWNNQLDLHFTE-UGKGYDQZSA-N 435.528 1.974 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1760219910 RUPJWDYARXANHK-FQEVSTJZSA-N 431.606 1.765 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)cc2OC)CC1 1760259717 GJEDNZGGDQOKGV-UHFFFAOYSA-N 435.532 1.694 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)CC1 1760402752 TVWZAFBJZCNFCT-QGZVFWFLSA-N 427.571 1.438 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760447999 UYOLOCQJTHCYSW-UHFFFAOYSA-N 444.561 1.927 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2CCOCC2)C1 1760535538 SLYKDUUTMKRJBC-WBVHZDCISA-N 427.571 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760552640 VUDPMHQLBPVPAH-NRFANRHFSA-N 448.593 1.185 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1)N(C)C 1761422288 CMJZRMXAVGWQMN-GOSISDBHSA-N 447.547 1.795 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1CC 1763221949 HEHNDPAFAUMCLN-KRWDZBQOSA-N 435.492 1.103 30 10 IDEE CCOC1CC(O)(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@@]2(OCC)CCOC2)C1 1767699237 AGMJBRBQGIVAQK-WUPTXDFSSA-N 433.553 1.990 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccnc1OC 1771218886 GKLMCIYUPAONNO-LPHOPBHVSA-N 441.536 1.631 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)cc1 1851350455 MRYMLCMIOMGBAJ-UHFFFAOYSA-N 429.498 1.908 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CCC2=O)c1 1855688195 DXCVBLJVYJDBBU-SFHVURJKSA-N 429.542 1.838 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CCN1CCC#N 1856186645 KGKGRCVPURVWJV-WMLDXEAASA-N 438.937 1.466 30 10 IDEE CC(=O)N1CCN(C(=O)[C@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)CC1 1869929308 FZOJBWXUANKROQ-LJQANCHMSA-N 426.498 1.157 30 10 IDEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870495383 DCBMEFBYEDDGPJ-UHFFFAOYSA-N 430.549 1.369 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCO)s1 2108229211 DJHHENUEJQTUMP-GOSISDBHSA-N 437.474 1.253 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124534758 TZJFJNGTLDVMEV-UHFFFAOYSA-N 447.345 1.171 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216454273 OALOJOKDSBYTHA-XHDPSFHLSA-N 427.361 1.822 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248404594 NJSYQVRQULGUOF-SWLSCSKDSA-N 440.371 1.938 30 10 IDEE C=C(CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O)B1OC(C)(C)C(C)(C)O1 2249064974 RYUWOPDEXJHQFF-HNNXBMFYSA-N 448.391 1.711 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2249532290 SUQGLEKBVGUCPA-UHFFFAOYSA-N 428.335 1.223 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)n1 2255655729 QESRELYHMNSQEA-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE CCc1nn(C)c(C(=O)NCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824652 LUPPSRSIUNMCMS-UHFFFAOYSA-N 436.362 1.926 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255826352 OTPZOLCLDHHBKF-GZBFAFLISA-N 432.330 1.694 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830792 KSCCLSQXJNTYFZ-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255881668 AWRDJHLNSUAGJW-UHFFFAOYSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255881690 BEDMKROPYHOJIN-KGLIPLIRSA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)=NO2)C1 2256620025 DDWSTHAYKNCZPZ-OAQYLSRUSA-N 433.314 1.893 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267518955 GYLSZYHKKOWAGX-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267585162 QXSGVKDCGQGFQR-NEPJUHHUSA-N 442.247 1.447 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N[C@@H](CC#N)C(F)(F)F)NC(=O)OCc1ccccc1 2270510232 VLRPBLDOJFYGNP-OLZOCXBDSA-N 437.396 1.218 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc2c1=O 23315729 HTDMRGSCZAQFDH-MRXNPFEDSA-N 442.541 1.582 30 10 IDEE COc1ccc(S(=O)(=O)N/N=C/c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1OC 169905949 GXTSMJHMMAJPEO-VCHYOVAHSA-N 425.419 1.942 30 10 IDEE COc1cccc(CN2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254873563 COWITFFQWCTXCF-CABCVRRESA-N 426.516 1.547 30 10 IDEE COc1ccc(Br)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 326846594 NFNRJFZRZMPDSF-UHFFFAOYSA-N 432.340 1.694 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1 428013058 WUTKXQOIGQVOTQ-BYPXELQWSA-N 427.526 1.117 30 10 IDEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 429045730 WGUCFKYDDGCESU-UHFFFAOYSA-N 443.529 1.405 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCSCc1ccccc1C#N 440067643 ALWVFGHFAVHULK-TVFCKZIOSA-N 431.514 1.926 30 10 IDEE N#CC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1 441006992 VURBHIKYYVWCDC-UHFFFAOYSA-N 430.534 1.909 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1S(=O)(=O)NCC#N 467820195 CXPFIWUGANRYDA-APWZRJJASA-N 440.525 1.716 30 10 IDEE CC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F 498856028 XDLPZQYCSDAVJF-WBVHZDCISA-N 433.459 1.951 30 10 IDEE CN(C)C(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 501026474 SSDCVCGNRZQVCQ-UHFFFAOYSA-N 447.561 1.223 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 508883434 AAIKCNKVMGRKNC-IFXJQAMLSA-N 439.969 1.912 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 508887094 HIALHZFULSHHHE-UHFFFAOYSA-N 439.545 1.960 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 509013663 QBCYXPJMXHEIGS-SFHVURJKSA-N 438.598 1.252 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@@H]1CCCO1 521839351 UXABHDPEJFBEBA-KRWDZBQOSA-N 443.544 1.956 30 10 IDEE Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc(-c3ccccc3C#N)cc2)n(C)c1=O 540198922 SCJQZYRXRXWEMX-UHFFFAOYSA-N 428.452 1.289 30 10 IDEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546171123 FSGIWOPHIBWWDE-UHFFFAOYSA-N 425.514 1.764 30 10 IDEE COc1ccnc(N2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)n1 553799997 XKBFBJQFBRNNOV-UHFFFAOYSA-N 438.307 1.630 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 555290793 DWPKANQBNZYRAU-SFHVURJKSA-N 429.525 1.322 30 10 IDEE N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cc1 609121533 CYYDXXWYMGMPBA-LJQANCHMSA-N 449.492 1.068 30 10 IDEE N#Cc1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(F)c1 609240066 LLZIIYKPSAOAII-UHFFFAOYSA-N 446.508 1.044 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccccn1 729669773 UMVPAKCUXXEEFC-UHFFFAOYSA-N 443.532 1.923 30 10 IDEE COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1N1CCCCC1=O 732418539 HBDQVFPTMWCLQL-FMQUCBEESA-N 427.461 1.860 30 10 IDEE C[C@@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732666610 ZSOFOJKJRWIZDL-GCJKJVERSA-N 438.488 1.040 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(F)cc1Br 734496413 PKLAEOROEHKXEW-NSHDSACASA-N 446.298 1.736 30 10 IDEE Cn1c(=O)c2c(ncn2CCC(=O)OCc2cc(Cl)ccc2OCC#N)n(C)c1=O 735339676 NMFUOBKIKFWXGS-UHFFFAOYSA-N 431.836 1.123 30 10 IDEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(C#N)cc1 740192177 NRZJOAWNJWTSED-QGZVFWFLSA-N 437.861 1.733 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 751927175 XHZBWEYAHJGGDQ-PBHICJAKSA-N 444.561 1.082 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 758773872 SSGXXXMIYONDAH-IKGGRYGDSA-N 435.525 1.026 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cnn(CC)c2)C1 760321368 PNJWABKSEWSBOH-HZPDHXFCSA-N 447.565 1.307 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1CCN1CCOCC1 767956339 SIVJUYIGCBRIIG-OAHLLOKOSA-N 443.569 1.570 30 10 IDEE CC(C)(C#N)CS(=O)(=O)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 776138283 YMJGUNNSCUTQQB-UHFFFAOYSA-N 444.307 1.560 30 10 IDEE N#CC1(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCN(Cc2ccccc2)CC1 778109774 AHORONHGAYGMBH-NRFANRHFSA-N 430.512 1.781 30 10 IDEE COc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(OC)c1C(C)C 779159165 ATRHTLDXLBEBLX-HNENSFHCSA-N 430.461 1.408 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCC2CS(=O)(=O)C2)cc1 786844117 UQUDFXWZCJRJNV-SILNSSARSA-N 428.536 1.056 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC#Cc3ccccc3)c2)CC1 791276418 LYEDERYNBBSAHD-UHFFFAOYSA-N 426.494 1.748 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCC(C)(C#N)CC3)ccc2F)CC1 801186619 NGWZZOMSFLJTQV-UHFFFAOYSA-N 436.509 1.444 30 10 IDEE COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 802438281 DDIFWOXEORQYMX-OAHLLOKOSA-N 448.549 1.454 30 10 IDEE CCOC(=O)Nc1ccc(NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1C#N 810197286 UHHCRRRYIULNAW-UHFFFAOYSA-N 438.510 1.473 30 10 IDEE C#CCN(c1nnc([C@H]2COCCO2)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 812057247 SYPFJCFAKNEHSW-RBUKOAKNSA-N 430.530 1.235 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 839380272 ZFHCQDAMRYGTOA-UHFFFAOYSA-N 446.536 1.387 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 857837772 PJQNZHOXRWHIBY-IRXDYDNUSA-N 439.534 1.824 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2N2CCOCC2)cc1 1141085602 CFEKASRARXMEOD-UHFFFAOYSA-N 442.541 1.688 30 10 IDEE C#C[C@H](CO)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1141495854 JMGUQIVLFHTOSY-BFTHVDOESA-N 425.329 1.761 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccn3nnnc23)c1 1141878329 UDMLKUAPWUAZPO-XLNRJJMWSA-N 427.490 1.970 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)c1cc[nH]n1 1151991731 BEYLHNXKRUFVOI-GOSISDBHSA-N 427.505 1.864 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C)C)c(C(F)(F)F)c2)CC1 1206404048 MNYDOVGDQGPZAI-UHFFFAOYSA-N 433.456 1.389 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1286401372 QLPNGFNRTIZORY-XMMPIXPASA-N 435.528 1.753 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1286414996 DFGUCFBUYMZQHY-FQEVSTJZSA-N 445.317 1.844 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286840703 LCRUDYBMJMEIHF-LEWJYISDSA-N 438.532 1.804 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1288083409 FTKQRHQVPKHIBH-KIJUOZEOSA-N 443.552 1.815 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]2C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1288138267 WBIGZIVRZOVRKC-OSCRUYLVSA-N 441.536 1.712 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1296231662 IVVRPOLFLIWSMD-HSZRJFAPSA-N 435.532 1.838 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)C1 1299074574 NOTPJWHTCAUOBQ-KRWDZBQOSA-N 435.488 1.962 30 10 IDEE CO[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1299561703 MJIBQMFIQHTEAC-BBWFWOEESA-N 426.525 1.584 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1300725467 HMQDEHDMFYIAEL-WZONZLPQSA-N 429.565 1.953 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1300849343 ORVFHEGBMVXKEU-AWEZNQCLSA-N 446.371 1.676 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1300991593 VMACHUHPVCIJKW-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2cnnn2)CC1 1301129998 KKFXAQASGHYUEB-UHFFFAOYSA-N 427.538 1.749 30 10 IDEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1301166378 VCAMYYCUGRNOAR-RTBURBONSA-N 443.573 1.819 30 10 IDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301433096 KEOPUNPHWLEKAF-CVEARBPZSA-N 425.530 1.918 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(C)C)CC1 1301508230 HCDAURQUKWPOBE-UHFFFAOYSA-N 436.564 1.786 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1304002193 NDIOHHBHRKHQEI-FTRWYGJKSA-N 425.551 1.810 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)CCC(=O)N1CCN(c3ncccn3)CC1)C2 1304491326 YDXXUNCFRWOESC-UHFFFAOYSA-N 425.518 1.006 30 10 IDEE CC1=CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1304593635 VQTNRMSXBNEKOQ-KRWDZBQOSA-N 432.506 1.280 30 10 IDEE CC/C=C\Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1306468394 WGDZKHRCBLOKEP-OGZRUICASA-N 444.565 1.448 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314911936 NHGCHVCQXHIXHL-CZIZESTLSA-N 434.504 1.940 30 10 IDEE COC[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1315943842 UFLHNLOBBPYQDV-ZUIHOSHSSA-N 432.525 1.243 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C#N)CC2)C1 1316351513 FVPDOPZEGDNYHM-KRWDZBQOSA-N 434.591 1.952 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1316357678 XRMQZBWELLHFIE-MOPGFXCFSA-N 444.561 1.761 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1358933992 LUUZTZRBGMWRJT-CABCVRRESA-N 428.518 1.618 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1358964893 JQLJKYGOCJPFRU-PXNSSMCTSA-N 449.602 1.830 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358965679 ZFCWSMDVXVTMQH-IEBWSBKVSA-N 429.546 1.317 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2CCN(CC(F)(F)F)CC2)CC1 1359040752 FTJZLPGVWJKBFS-UHFFFAOYSA-N 426.487 1.827 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCn2cncn2)CC1 1359042464 HSGWQQGYQALHBH-UHFFFAOYSA-N 434.504 1.211 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)CC1 1359165209 KHOMGCYUSZRKDY-KRWDZBQOSA-N 436.513 1.350 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359297484 SDEALKDHMKVZBU-QGZVFWFLSA-N 437.504 1.028 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1359554624 QPDACWSWYWNDDX-DLBZAZTESA-N 432.525 1.768 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccn(-c3cccc(C#N)c3)n1)CCS2(=O)=O 1439952260 PLFDFDWBUJKSDA-ZGOJQLDESA-N 442.497 1.373 30 10 IDEE CCc1cc(N2CCC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)ncn1 1443611957 ADPUYIZYNAZALR-OAHLLOKOSA-N 431.493 1.874 30 10 IDEE Cn1cc([C@@H]2CN(C(=O)[C@H](O)c3ccc(C#N)cc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1452026329 LZKYXLUALSUAQC-IPMKNSEASA-N 425.489 1.844 30 10 IDEE C#CCN(C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N)C(C)(C)C 1462861403 YOBSCUYBUXPHHC-UHFFFAOYSA-N 449.552 1.207 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1464615247 AQWUDFUDDPCJLP-UHFFFAOYSA-N 439.603 1.579 30 10 IDEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1 1468990024 HDVOLCAEYGMYMV-ZWKOTPCHSA-N 426.542 1.958 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[C@H]1C(F)(F)F 1470101953 FUQQKKDVWVNWND-VXGBXAGGSA-N 431.419 1.637 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1472209360 DXZBINDSHJNYQI-OLZOCXBDSA-N 438.506 1.171 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC(n2nncc2I)CC1 1478735572 ILKRWNAXGIAFLC-UHFFFAOYSA-N 430.294 1.184 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)C3)n2Cc2ccc(C#N)o2)n1 1492752933 GHJREJVUACLARN-UHFFFAOYSA-N 436.520 1.957 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CC(=O)NCC(F)F)c1 1505313770 GEFRJYGSKOSYIN-HXUWFJFHSA-N 429.431 1.057 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507561387 PXLUBNGJVOTENY-IAGOWNOFSA-N 434.566 1.037 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507581194 OKNOOAKDLWJTIP-UHFFFAOYSA-N 434.504 1.634 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1507601929 WGPMJZNSZUAKJZ-AWEZNQCLSA-N 428.518 1.563 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633025 RCYOHRBVZVKELV-SJORKVTESA-N 437.566 1.015 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCOCC1 1507645555 FVGNMNHCOPYQFD-UHFFFAOYSA-N 435.528 1.902 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2CCCO)CC1 1507727831 MDASRTLJJGCVPZ-HXUWFJFHSA-N 428.606 1.532 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC 1507771556 BSUOQYZEAACPLG-VQIMIIECSA-N 439.582 1.154 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507871116 SBDVOMRMYFMYBF-UHFFFAOYSA-N 448.959 1.065 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1508018951 JSRVSKVDHJAYSK-CQSZACIVSA-N 446.371 1.698 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1508074765 RUGHYOOLVDNHEX-KRWDZBQOSA-N 440.504 1.772 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1508095165 MDKAUJXIVAEWDE-OAQYLSRUSA-N 438.576 1.667 30 10 IDEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1510102975 DGWBMEVIHDFQLF-ZWKOTPCHSA-N 446.563 1.591 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1524723908 GHWJODSHCGOBSQ-LKBUQDJMSA-N 443.891 1.401 30 10 IDEE CC(C)(C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccc(C#N)cc1 1528805517 VQEZMNDTQUZIAH-UHFFFAOYSA-N 427.530 1.951 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)nc1 1539149073 QDRWUSGJPIVKBI-GFCCVEGCSA-N 446.455 1.342 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1539211208 JEGUSIIGUPCCIE-GOSISDBHSA-N 430.578 1.555 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539220140 QAUYUTAHJCHCNS-GOSISDBHSA-N 449.621 1.896 30 10 IDEE COc1ccc(CC(=O)NCC2(C#N)CCCCC2)cc1S(=O)(=O)N1CCOCC1 1539419826 KLWKNRAFHVCCQS-UHFFFAOYSA-N 435.546 1.849 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539519212 FKRGABWVYMLCLA-UHFFFAOYSA-N 432.594 1.114 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1539668048 RRQUOJBBLGFNHN-QGZVFWFLSA-N 432.550 1.610 30 10 IDEE C=C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nnn(C)n2)CC1 1539860551 CDIRTZUIUCKHOE-GASCZTMLSA-N 429.529 1.777 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1540001404 MZHNPVCIIRGFBG-FDDCHVKYSA-N 441.532 1.875 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCO[C@@H](C)C2)C1 1540895348 QCZKYKYXEBQJKP-VQTJNVASSA-N 446.596 1.683 30 10 IDEE C#CCOc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1543708176 COFYNAIHKOJHPO-UHFFFAOYSA-N 444.509 1.658 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCOCCN(C)C 1544583749 VKXFFHMUDZCUEF-MRXNPFEDSA-N 425.541 1.110 30 10 IDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1546851011 AVULLYFOWFSQFW-FGZHOGPDSA-N 426.521 1.982 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1554377529 DYQRASULCGCEET-MRXNPFEDSA-N 439.520 1.203 30 10 IDEE CS(=O)(=O)CCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555803962 GFYWFXQFRRPSGZ-UHFFFAOYSA-N 443.577 1.964 30 10 IDEE C#CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1558369939 HFZZKGWHPPFCQT-QGZVFWFLSA-N 436.553 1.254 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)c1 1563126827 RKYBFMABQSJUBA-UHFFFAOYSA-N 430.486 1.353 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1586830750 IAUXNLHJCHXLKZ-QGZVFWFLSA-N 430.505 1.959 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCCS(C)(=O)=O 1587932382 QZQDFIROAYBCLZ-UHFFFAOYSA-N 438.575 1.633 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588050836 VUMIJXRWCIRGDD-MOPGFXCFSA-N 446.577 1.655 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1588181328 RKAUXRMBWYDJQH-IAGOWNOFSA-N 443.529 1.191 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1588806522 UGAIFEJOBLMKRF-NHCUHLMSSA-N 435.576 1.596 30 10 IDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOC)c1ccccc1 1593789375 LLNIJHMQUHIQRD-IBGZPJMESA-N 449.577 1.797 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594812496 GVAQEZXDJQAMCP-DLBZAZTESA-N 432.525 1.585 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(N(C)C)CCSC2)C1 1595745914 YRAVFHVXXHYBRZ-UWJYYQICSA-N 434.610 1.619 30 10 IDEE CC(C)(CNS(C)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1596923247 LXTVSEOKEKSTKU-UHFFFAOYSA-N 429.340 1.201 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br 1611039482 IECHTLPTJBKZBK-JTQLQIEISA-N 432.238 1.765 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1 1611648961 OZYPKIDNUYOFHI-OAHLLOKOSA-N 437.452 1.952 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1612402586 HTOFBUXJQHKWLY-UGSOOPFHSA-N 432.485 1.064 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1620025637 RBLOEDYFMZNRGM-IKVWTGGYSA-N 435.525 1.459 30 10 IDEE CN1CCN(C2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)CC1 1620508620 WNRPTTJCTSKQOW-HSZRJFAPSA-N 442.583 1.246 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(C)(C)C(=O)OC)cc2)n1 1622097153 OWUWZWPHMYQWHB-UHFFFAOYSA-N 433.530 1.804 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)s1 1628353994 CVAGSUYLGMQQAX-HNNXBMFYSA-N 439.481 1.282 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCC(C)(C)CS(N)(=O)=O)nnc1-c1ccco1 1632213271 IQEZUSHGRSRVSE-UHFFFAOYSA-N 427.552 1.637 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 1638344781 FTBIKZMSYMESAC-HOCLYGCPSA-N 446.451 1.684 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1ccccc1)[C@@H](CO)C1CCC1 1638952102 HZRYQVMCCHZJER-IBGZPJMESA-N 427.526 1.915 30 10 IDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639822281 ZKIWUTATLLJCKQ-TWOQFEAHSA-N 427.567 1.960 30 10 IDEE CN(C)C(=O)NCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1643290589 FRUZJPFCSYCRAN-UHFFFAOYSA-N 428.514 1.925 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(Br)sc3[nH]2)CC1 1644282117 VCTJXMBSDRJMLE-UHFFFAOYSA-N 431.337 1.217 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12CCCC[C@@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1653964785 VWXPFPDXUDAAEQ-QVKFZJNVSA-N 431.493 1.364 30 10 IDEE N#C[C@]12CN([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1654974736 IJKVDKPICCKZCT-URKNILKWSA-N 425.457 1.654 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@H](CNC(=O)OC(C)(C)C)Cc3ccccc32)CC1 1655383784 DNPJAOJFXXRDDW-IBGZPJMESA-N 426.561 1.967 30 10 IDEE C[C@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1661443345 GRCSUHCJWVGCEP-NSHDSACASA-N 434.331 1.926 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1689850332 ABDHZXJPPZNFBZ-NVXWUHKLSA-N 425.518 1.267 30 10 IDEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689895494 VXENSLJEQQTYRG-UHFFFAOYSA-N 447.547 1.316 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1689988748 VQXCJOBGBZGYMS-LSDHHAIUSA-N 437.591 1.142 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1690668691 FIRRHRJQXAXBIV-HNNXBMFYSA-N 437.504 1.109 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc2c(c1)OCO2 1690675075 OWFNTXVGHKMKAM-UHFFFAOYSA-N 437.504 1.807 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1692554213 GLLQZYBNFUEUHH-LJQANCHMSA-N 426.521 1.973 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693822620 CHPVBFDFJXQKAP-HLAUDOPJSA-N 428.518 1.682 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@@](C)=O)CCC1 1694737800 GFVYKGMGTAZWGW-DHMKHTPVSA-N 428.566 1.518 30 10 IDEE CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1696133686 FKZHPZCVTDCZPM-AEFFLSMTSA-N 431.518 1.356 30 10 IDEE CN(C)S(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696624052 HAEDLXZFEHHJBW-UHFFFAOYSA-N 447.565 1.293 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)C[C@H]21 1698259859 IQDBHFXWRRMYDY-GVDBMIGSSA-N 430.459 1.917 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570127 MWMFYMMYZKUBEO-INIZCTEOSA-N 437.566 1.382 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705652835 PCVGFHCLWQVBOR-QGZVFWFLSA-N 432.594 1.574 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705701579 CLIBOUDOOHMTCU-NSHGMRRFSA-N 427.553 1.964 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705753834 JYNGTDUNYHUSSA-IPELMVKDSA-N 436.988 1.913 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@@H]1C 1705835252 FGVPPCBIACNUCJ-FOIQADDNSA-N 434.566 1.709 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1705843214 ABNQDILNRQGVIM-INIZCTEOSA-N 425.942 1.935 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1705865896 AIDNLZARYNPUFA-DNVCBOLYSA-N 438.575 1.586 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NC)C1 1705915099 AIAOMMFJEARYNJ-HTAPYJJXSA-N 435.569 1.872 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1c(O)nc2ccccc21 1706602868 AVBLFTDHHHYCPL-HXUWFJFHSA-N 426.456 1.614 30 10 IDEE C[C@@H]1COCCN1c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1708259418 SELYRWZPECEPTG-WGLILOHCSA-N 440.479 1.760 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1708275555 FUQHCEVTUADFKJ-VFNWGFHPSA-N 425.493 1.595 30 10 IDEE CCNC(=O)c1ccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)cc1 1710323439 JQPIZADHNQBCDE-VQIMIIECSA-N 442.520 1.529 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC(O)CC1 1722299383 OYLQNNCQBYGBQT-INIZCTEOSA-N 430.578 1.574 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722368009 OHEVPIFAHYZVAH-QYZOEREBSA-N 437.610 1.877 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722629875 ZPQQRERJZLTVKI-NPPFBWRTSA-N 433.553 1.766 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1722640481 OIOVCMCBCINPFR-HNNXBMFYSA-N 436.557 1.981 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1722671711 BUCZLJAUHMQDCZ-HNNXBMFYSA-N 438.579 1.489 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C[C@@H]1CC 1729168108 OCMPTPGFHWFSAA-FQEVSTJZSA-N 439.564 1.890 30 10 IDEE COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1730923089 OJGZEECODBDWDW-MRXNPFEDSA-N 425.555 1.363 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1730943307 IHVDOVBENHOPBJ-LHYBATLDSA-N 444.536 1.621 30 10 IDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1740574958 PHGJSKRSVAIWKS-KRWDZBQOSA-N 448.568 1.962 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740623251 QLNMIIIITZJXNI-CHAGWJKLSA-N 426.608 1.720 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1740702615 UBXAGWQGOSYUFG-UHFFFAOYSA-N 443.640 1.567 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1740764422 FBPZZKWPEMTUBV-VMXHOPILSA-N 433.553 1.685 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740875786 JWAUKRVHCAGJAJ-OAHLLOKOSA-N 445.611 1.007 30 10 IDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1740905727 GEIWBHRZJBFTDX-QFIPXVFZSA-N 432.569 1.249 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1740952288 YUKDNZGMMZFPLS-CQSZACIVSA-N 437.497 1.094 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1740956457 SDZWPPSTRRYCDV-MRXNPFEDSA-N 441.536 1.993 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740966601 UQTZIZOVNOSSHU-JKBKZWBZSA-N 447.580 1.947 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)cc2)C1 1740980038 NEVMFXHUPZQGCZ-RBUKOAKNSA-N 438.532 1.749 30 10 IDEE CC(C)(C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741165746 AVNVNXFUXAGXDF-IAFNSTAXSA-N 429.525 1.194 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOCC(F)F 1741931581 QKFHCMLLNDAFIG-DYVFJYSZSA-N 434.513 1.690 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)c1 1742363585 FYVJKFMNAQDHIT-LJQANCHMSA-N 428.562 1.943 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1748714319 YHLFYPSPEFYFGD-HSZRJFAPSA-N 433.516 1.697 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1748732279 XQJCYMWXFFNKJL-MRXNPFEDSA-N 438.598 1.385 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1749000132 OAYGJVSUGFWTEF-UHFFFAOYSA-N 449.458 1.948 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1749630669 XJUGMRQNCBWEBS-INIZCTEOSA-N 434.541 1.530 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(CC)o1 1749669323 JAAQUSJEVBKWRN-WBVHZDCISA-N 447.561 1.979 30 10 IDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1750752128 RMOAGUPICJMBIE-SFTDATJTSA-N 429.613 1.890 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1751038625 NKQHBJLHZYKXKF-RJCBAWPRSA-N 430.509 1.312 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760169823 DOFOQBHYXAUMFY-BPQIPLTHSA-N 441.536 1.772 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H](O)C1 1760244619 BCJWYWIXDCZINI-IEBWSBKVSA-N 446.573 1.986 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760261333 OYGFKPMPGNCNDS-LJQANCHMSA-N 443.573 1.355 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1760261349 KCLNVDPSUJJKRH-CEXWTWQISA-N 435.594 1.141 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)OC)CC1 1760265595 FMIKBPCUXJSHCW-VGOFRKELSA-N 433.553 1.319 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 1760274811 NJLZDNBQADZUPE-MRXNPFEDSA-N 428.628 1.033 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@H]2OC)C1 1760534559 BFRNELFDQLTILH-KZNAEPCWSA-N 442.520 1.758 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccs2)C1 1760534584 BRXHCDSKWKMVHL-ZIAGYGMSSA-N 426.568 1.369 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCn2ccnc2C1 1761480793 KBEFTFPDQZKQLP-NVXWUHKLSA-N 446.581 1.477 30 10 IDEE CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1762401150 HTJYJGCHKAKMRQ-INIZCTEOSA-N 433.534 1.628 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CC1 1764140003 NWZPOYUGKCOQJW-UHFFFAOYSA-N 425.493 1.256 30 10 IDEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)OC 1765554094 HZFBFFJMTGCTRI-IBGZPJMESA-N 426.521 1.927 30 10 IDEE COCCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1771266120 VZDYIBIRCMYIBR-QGZVFWFLSA-N 425.555 1.363 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1nc(C)cc1C 1771304612 DTWALFRXCDYCOU-OTWHNJEPSA-N 429.525 1.635 30 10 IDEE COCCN1CCN(Cc2ccc(C(=O)Nc3nc(OC)c(C#N)cc3C#N)cc2)CC1 1850711573 ANJGATRQZRMKGC-UHFFFAOYSA-N 434.500 1.850 30 10 IDEE CN1C(=O)C[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1cccs1 1851835796 AJBYHFQGFNXQKG-LAUBAEHRSA-N 439.541 1.900 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NS(=O)(=O)c2ccccc2)CCO1 1852462839 DQWODVDQEDRBDV-IEBWSBKVSA-N 433.917 1.981 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)C(=O)C2)C1 1853742661 YROALJWMNPYKRF-APWZRJJASA-N 430.936 1.624 30 10 IDEE C=CCCC(=O)N1CCCC[C@H](N2CCCN(C3CCS(=O)(=O)CC3)CC2)C1=O 1854898960 KDCDATLXAAZOEQ-IBGZPJMESA-N 425.595 1.445 30 10 IDEE CCOc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858337342 ZQOQFHYDTJRGDR-INIZCTEOSA-N 435.527 1.698 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858975395 ZJQFGGJIXISCKP-UHFFFAOYSA-N 432.458 1.741 30 10 IDEE C=CCOc1ccccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1859558101 GAAFUYJZHHSQPE-UHFFFAOYSA-N 446.525 1.968 30 10 IDEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCO)cc1 1862607927 BCABPFIAMGNTCU-SFHVURJKSA-N 425.393 1.727 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCCCCO 1870524372 NXSBMHXJQYGRQV-UHFFFAOYSA-N 435.565 1.716 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(=O)cc1CN1CC(O)C1 1870705194 IOGXDBNGRYCJGR-UHFFFAOYSA-N 433.892 1.890 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1CCOCC1)n2CCOC 1873589495 MAIYIGAALJDCDS-UHFFFAOYSA-N 428.537 1.318 30 10 IDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(F)c3)C2)c1 1890096145 LDPOGAREPLJJLF-MJGOQNOKSA-N 444.488 1.925 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2124513856 DBTAQAGHXAOJRW-LSDHHAIUSA-N 448.329 1.787 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124540467 ICBLNAHBSJHTOH-UKRRQHHQSA-N 448.329 1.332 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCOC1 2124542741 IWSWLRIDQGMJJA-HIFRSBDPSA-N 448.329 1.644 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2141678204 MQRLIKRHJUOXOF-UHFFFAOYSA-N 446.357 1.872 30 10 IDEE C#CCn1ncc(NCCN2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1=O 2162345655 AGGNSCCNGUEWMJ-UHFFFAOYSA-N 440.342 1.604 30 10 IDEE N#Cc1ccc(N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)c(F)c1Br 2174810856 QZTZPJRLNUIGJS-RKDXNWHRSA-N 437.191 1.819 30 10 IDEE C=C(CS(=O)(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)B1OC(C)(C)C(C)(C)O1 2243416753 MPEUNFXEVRFDSD-KBPBESRZSA-N 428.360 1.959 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)s2)OC1(C)C 2243439617 UJEQBCADQNJYLB-UHFFFAOYSA-N 440.274 1.099 30 10 IDEE C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247953512 UWRCTIGRKMUADU-OAHLLOKOSA-N 435.355 1.291 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609786 KLNJIPAFIVDOMB-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE Cc1nn(C)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255631626 BQQWVXJIQJRCPD-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255856319 ZDPSKRFAVJNNCG-NRFANRHFSA-N 436.314 1.681 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267113498 USLSCXWMUIBAFL-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE CCN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267113820 ZIHNDFFNVYBRON-CQSZACIVSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267596068 YSKDVVKCKIWFKE-MRXNPFEDSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2319986615 CBYSORBWGHCGIU-FHWLQOOXSA-N 442.516 1.822 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n1C 2337397613 FBBGJCVZEAYABW-QZTJIDSGSA-N 436.365 1.888 30 10 IDEE Nn1c(N/N=C/c2ccccc2O)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20527328 XLGCHVZELUVRMM-UFFVCSGVSA-N 441.473 1.646 30 10 IDEE C=CCn1c(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)nnc1-c1cccc(OC)c1 253571887 PMVTWYLWTAGKSU-UHFFFAOYSA-N 425.474 1.565 30 10 IDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 441779223 UHKMZNCEIOOJBV-INIZCTEOSA-N 432.488 2.465 30 10 IDEE CN1CCC(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)(N2CCCCC2)CC1 466159680 VLWOIYBBXMBPEQ-UHFFFAOYSA-N 425.581 1.735 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1cccc(C)c1 508493691 MLRHCJVQQVVLTI-SFHVURJKSA-N 435.550 1.621 30 10 IDEE CCn1nc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C)c2ccccc2c1=O 508523274 CWISWJVCYKXINP-UHFFFAOYSA-N 441.499 1.805 30 10 IDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c1 520064728 ZXCNEHYSCBUHPZ-UHFFFAOYSA-N 439.581 1.587 30 10 IDEE CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 522297767 ATTPYNJELUCLEU-FUHWJXTLSA-N 447.561 1.221 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 523313595 CTGOSRSCJYDDSF-UHFFFAOYSA-N 434.548 1.392 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cnc3sccc3c2=O)cc1 523357803 SNFZELVVTLOJCJ-HNNXBMFYSA-N 425.495 1.870 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C[C@@H]1CCCO1 553365055 KVFYYFVHBKYHNR-KRWDZBQOSA-N 439.537 1.211 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 574487850 ATYQKVQZMKFPGX-SFHVURJKSA-N 433.534 1.368 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@@H]1CCCO1 590914655 LALSQRSCOMKIHH-SFHVURJKSA-N 425.554 1.735 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 610080916 YPGJWJJWXIJIBZ-UHFFFAOYSA-N 434.474 1.264 30 10 IDEE CCS(=O)(=O)N1CCC(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)(c2ccccc2)CC1 732650880 KZDFBDIZSDNQSQ-HXUWFJFHSA-N 430.574 1.569 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cccc(C(C)C)c3)c2=O)cn1 735069687 YUVXGTPSNKDVLH-UHFFFAOYSA-N 435.553 1.878 30 10 IDEE N#CCOc1ccc(Cl)cc1COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 735340102 CDTKIPSQMHFZDL-SWLSCSKDSA-N 426.878 1.321 30 10 IDEE C[C@H](CC(=O)N1CCN(C(=O)CC(C)(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742526213 OLKANEZBZVJPQG-OAHLLOKOSA-N 434.562 1.611 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)CC1 743112501 OIUWSNHFPDQJEX-UHFFFAOYSA-N 437.426 1.738 30 10 IDEE C#CCN(C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)[C@H]1CCS(=O)(=O)C1 751684676 KOEMTNUCCRYWDN-KRWDZBQOSA-N 448.928 1.843 30 10 IDEE C#CCN(CC#C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 752301834 LOLQQRFAFDWIEG-UHFFFAOYSA-N 433.530 1.002 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 758779647 XDZXJPIQLSFQOG-IRXDYDNUSA-N 425.493 1.544 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760856970 WBUXODMVZYYJRN-JTQLQIEISA-N 437.293 1.168 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n1 788818886 RPWNWPGRARSHCE-ACRUOGEOSA-N 440.544 1.857 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 807934888 OHPSPJHHYUEXFT-BBRMVZONSA-N 434.543 1.451 30 10 IDEE N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915450270 LKGZFURZIDFVMM-UHFFFAOYSA-N 444.288 1.825 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccccc2)c1=O 917766292 IBZWHHNLCNVJGM-UHFFFAOYSA-N 434.473 1.671 30 10 IDEE Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 917875991 JBWHHNISMMWSAR-UHFFFAOYSA-N 433.925 1.933 30 10 IDEE CN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 1134057054 ZHTDDAXFUBRYRW-JBYDNAENSA-N 439.896 1.395 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H]1C 1137886352 NHDXADSHABINDX-GRJHGRLYSA-N 448.564 1.869 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](CO)Cc2ccncc2Cl)c1 1139726878 HLCHBNITDAQVPS-GFCCVEGCSA-N 425.869 1.752 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1151985621 HWXBNZZNJHYICI-KRWDZBQOSA-N 431.917 1.783 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1256376960 SESRKJFXIURQNO-UHFFFAOYSA-N 448.548 1.829 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1C 1286302664 NOBVVBHFLHDOJA-LJQANCHMSA-N 433.564 1.278 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1286364135 ZVPBYWHWBFBLQP-JOCHJYFZSA-N 427.553 1.949 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCN1CCCS1(=O)=O 1286365890 MJPLBDVRMMKNNO-UHFFFAOYSA-N 438.351 1.813 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC(F)F)OCO2 1286379265 LXDWMCDGCOPASR-UHFFFAOYSA-N 433.415 1.848 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cn(C2COC2)nn1 1286424633 FCNQRZLOTXTTNP-UHFFFAOYSA-N 447.499 1.636 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)CC)CC1 1286473353 REQTWALBRWWFPE-UHFFFAOYSA-N 448.369 1.280 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286497032 YZFDSWGPUPICTJ-JYJNAYRXSA-N 427.596 1.260 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286604474 LJLZUIRJMCMNOD-MRXNPFEDSA-N 447.561 1.608 30 10 IDEE C=CCn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OCC)CCOC1 1286778056 XBKTVYUPIZWQOK-FOIQADDNSA-N 435.550 1.961 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1286784225 BHRCWYRXLSXLEC-KRWDZBQOSA-N 440.548 1.949 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286824673 ZRTJOCWQBLUSGB-JYJNAYRXSA-N 429.612 1.955 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1288975916 SFTNWAICMSORIV-JTSKRJEESA-N 432.488 1.935 30 10 IDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)CCO2 1291325324 HZMNQLKHQBWAOW-JTSKRJEESA-N 427.505 1.600 30 10 IDEE C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CN1CCN(C)CC1 1292958814 LWIIHYIAZILSAH-HNNXBMFYSA-N 434.382 1.757 30 10 IDEE CCC[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1293931210 CPTIBVZBPHUCEX-DNTCVELPSA-N 429.525 1.552 30 10 IDEE COc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1300307468 KTWYDNVDOQQWBT-QZTJIDSGSA-N 426.477 1.436 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300392248 PEPJYYXEMGQCEP-CQSZACIVSA-N 430.871 1.298 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1300483971 NLDRBMGUYUXHTR-CEQIKUNHSA-N 433.578 1.429 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1300556196 DXAQRKYXTLXSJN-OALUTQOASA-N 434.610 1.616 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(OCCOC)CCOCC2)CC1 1300690140 CPFKKURUJSIKFA-UHFFFAOYSA-N 443.548 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN2CCCC2)CC1 1300725641 IVXLKPASJKMNBH-CTNGQTDRSA-N 442.608 1.870 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1301216915 USZBURJIYWNXMG-LJQANCHMSA-N 443.596 1.766 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1301241895 YWFMRHPMPBIDTD-GOSISDBHSA-N 447.561 1.656 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301251912 JEGICQJPJRTFTH-MOPGFXCFSA-N 442.568 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1301568308 QUIUFFXJGQUMBJ-CQSZACIVSA-N 449.499 1.894 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301578502 CJEVQZPZNFBQHY-LAUBAEHRSA-N 447.561 1.634 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301825633 TYRARTPJERRLQN-IGGDJGDASA-N 427.509 1.177 30 10 IDEE CC(C)(C)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1\N=CC=CC1=O 1302048535 JPTMOUKGPRPBQN-ATDHSAFKSA-N 428.537 1.699 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1303556153 BIYQKULGMIYQPR-GFCCVEGCSA-N 437.871 1.851 30 10 IDEE Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1304856126 VUGRSXDUNFWNAD-MSVBSMQLSA-N 439.495 1.967 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@]2(CCOC2)O1 1305153479 CQLRDBJFCGOGJE-YWZLYKJASA-N 431.518 1.246 30 10 IDEE CCCNC(=O)CCn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1313486318 XTBIFKVKXHQNHH-UHFFFAOYSA-N 426.525 1.324 30 10 IDEE CN(CC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1314717125 SJIGSOXRCDERMU-UHFFFAOYSA-N 431.440 1.876 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314877965 QXUFKZHAKFFSAQ-IGGDJGDASA-N 446.552 1.950 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H]2CCOC2)CCN1C1CC1 1332159049 AZCOVCTUGTWIOO-VQIMIIECSA-N 436.516 1.929 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(n3cnnn3)CCCCC2)c1 1357483260 DSSDFZOEVKNZSW-OQKWZONESA-N 431.522 1.784 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1358929740 HBUQIQOJJJIPFQ-ROUUACIJSA-N 432.550 1.004 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccs1 1359023530 NEWHCCLHLZHYBA-UHFFFAOYSA-N 449.540 1.977 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCCN2CC)CC1 1359043880 MPNYTWKWWVEARU-FQEVSTJZSA-N 438.580 1.519 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CCC)OC)CC1 1359164998 DVOGSJHPPSBCRZ-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1359240915 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GZLSRWOCRILOSA-SFHVURJKSA-N 427.528 1.771 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1494699735 VTSYCNSGJWGZSK-IJYGLTAASA-N 443.552 1.597 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1501397337 FOLBYOIFDRZVMI-UHFFFAOYSA-N 444.561 1.957 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C[C@H]1CC 1503217822 CFBAURVLOHVDHI-HXUWFJFHSA-N 449.563 1.931 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1503558002 XJRCVOFQMGDUGQ-SFHVURJKSA-N 437.504 1.668 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507640185 QBIFNDYYFOBSOF-AVRDEDQJSA-N 446.573 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1507659847 GQHZYHVEOUZZCN-AWEZNQCLSA-N 435.579 1.144 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1507679153 HKZYMSHHISSLMC-IFXJQAMLSA-N 437.591 1.897 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507842919 FLCPEOFXVYZBPL-ROUUACIJSA-N 445.568 1.404 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507928204 CCTQQZBVGTVABR-INIZCTEOSA-N 429.525 1.343 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1507993269 PFECXMHBHYQLSQ-KRWDZBQOSA-N 437.610 1.570 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1508139007 BQCXHOMORHORPK-JKSUJKDBSA-N 447.565 1.077 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC=C(COC)CC1 1508139644 ICICNOPIEPTUEL-UHFFFAOYSA-N 449.533 1.390 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@H]1CO 1508417141 HPLOAHKPGCPKKS-IRXDYDNUSA-N 443.552 1.839 30 10 IDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C(C)C 1515742339 BADYPBZQCRWFNQ-UHFFFAOYSA-N 425.537 1.785 30 10 IDEE CN(CC1CC(F)C1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517201215 HQMGDYPXKHHYDO-VYPNQPLYSA-N 432.500 1.883 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1518643865 HOSXZYCKFWQMCT-UHFFFAOYSA-N 448.531 1.478 30 10 IDEE COCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1519400026 VKSRBSXBPKQFHS-GOSISDBHSA-N 428.493 1.539 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1539013631 JDOHSNITAMOFDK-HOTGVXAUSA-N 425.518 1.267 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539216235 POFBQPGKJMHSNT-YTQUADARSA-N 443.573 1.948 30 10 IDEE C#CCN(c1nnc(CC)n1CC(=O)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539218794 DENPXXVINMQZNF-SFHVURJKSA-N 429.546 1.126 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1539462851 MKJAIAZMWDQGEI-PKOBYXMFSA-N 444.580 1.541 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539615013 FBLWWBBCLBJDAF-KZFRKFNSSA-N 433.553 1.842 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1540858401 VPIWVHINULDNRV-GJZGRUSLSA-N 435.554 1.195 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)CN1CCOCC1 1540865947 XKNYPTPVVLNKJU-UHFFFAOYSA-N 430.553 1.943 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1540874520 JLXWOTUWNYKZPB-UHFFFAOYSA-N 440.548 1.772 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1540915477 LVTIUOOGKSBBEJ-DLBZAZTESA-N 432.594 1.891 30 10 IDEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC 1544352128 OQJLXDXPTZNKKP-YOEHRIQHSA-N 439.490 1.620 30 10 IDEE CC(=O)N[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1cccc(Br)c1 1545847923 GYRQYKDFKKLWLH-INIZCTEOSA-N 433.310 1.894 30 10 IDEE CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1546033237 RKBZAOOYUFXWHG-KRWDZBQOSA-N 438.536 1.374 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1548174447 CNSJWYGUMOBCMX-UHFFFAOYSA-N 448.531 1.463 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1554162636 DZYNPSWONANZQS-UHFFFAOYSA-N 442.501 1.558 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1555492568 UMOSCJRKIOADPG-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)s1 1556883016 HYYFSGRBFGAPEA-DJIMGWMZSA-N 425.576 1.518 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC(=O)c2ccccc2O1 1557972471 WFJQSOTWBRCTNL-AWEZNQCLSA-N 427.482 1.656 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CN(C(=O)OCC)C[C@H]3CO)ccc2c1=O 1558732930 WCKVZKYZKRSTML-BBRMVZONSA-N 432.502 1.050 30 10 IDEE COc1cc(C#N)ccc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1584381029 AGSQONOGMKKDAA-JLTOFOAXSA-N 435.502 1.787 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1588574394 GVKYKEPMQGFXBL-KRWDZBQOSA-N 445.495 1.502 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1588752425 SDWCTHUQDMKSBF-YLJYHZDGSA-N 439.507 1.498 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1589482806 LWBRNJUPEQZTIG-AOIWGVFYSA-N 444.580 1.893 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1 1595804952 JBYOJRNAQHPEAU-UHFFFAOYSA-N 432.525 1.979 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCOC2)C1 1597629235 BIMNCAFKKXHMKC-NXOAAHMSSA-N 432.525 1.814 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCCCC1 1611711781 TYSYFAIVFJDETH-RDJZCZTQSA-N 440.570 1.356 30 10 IDEE N#CCc1ccc(OC[C@@H](O)CN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1620532918 YFSGEDQIVHASSF-WIOPSUGQSA-N 435.524 1.996 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1624577778 ZEHYKQBAYDMHQL-GOSISDBHSA-N 432.496 1.906 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1629506213 HKCCXGBODDISEE-HOTGVXAUSA-N 437.541 1.509 30 10 IDEE C#CCN(CC(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)OC(C)(C)C 1634358758 MVMYIRBQBXPRPF-UHFFFAOYSA-N 427.498 1.433 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 1635881605 BBMXMPGEPIZCGS-UHFFFAOYSA-N 437.406 1.847 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)C1 1638075996 XIMRDJAGZTXNOD-PZJWPPBQSA-N 431.558 1.646 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1638705638 JGDGHWFFDXDCDZ-IRXDYDNUSA-N 437.537 1.906 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1643335855 WLQAJLSLAPVHSU-OAGGEKHMSA-N 437.493 1.537 30 10 IDEE CNC(=O)N[C@@H]1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1645199462 MFQRYUFDCPGBDT-OAHLLOKOSA-N 435.550 1.206 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1CCn2ncc(I)c2C1 1646417714 MIACMMIYYMAWOC-UHFFFAOYSA-N 438.225 1.789 30 10 IDEE CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1660310018 OWFJQRXRCXQNHX-UGKGYDQZSA-N 441.557 1.285 30 10 IDEE COC(=O)[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1660343770 ZANCSXVPXWRJPR-GOSISDBHSA-N 442.516 1.516 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 1665153859 FXMLPPGLZQLWKO-UHFFFAOYSA-N 428.518 1.367 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OCC 1669266562 GBZJQFOZJGMPNA-GFCCVEGCSA-N 437.287 1.863 30 10 IDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccc(Br)cc1 1685188656 KCDUARICBIWULQ-OAHLLOKOSA-N 441.307 1.530 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1689864897 KFDPEHVJCFBUHR-MRXNPFEDSA-N 427.505 1.606 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCCN1S(C)(=O)=O 1689949676 NVBXPNXZIQFQPF-QGZVFWFLSA-N 439.545 1.829 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1690077215 KUKJHUHVYAGBGF-IAGOWNOFSA-N 439.582 1.801 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCS(C)(=O)=O)CC1 1690410921 AYIBMDWJWRWDNT-QGZVFWFLSA-N 444.623 1.798 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690668183 WEYCYFAMYNMDFF-UHFFFAOYSA-N 435.536 1.088 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1C(C)(C)C 1690732239 XRQQJCJQPATRFJ-HXUWFJFHSA-N 425.599 1.477 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1690736843 QKSJGLBNTMVWET-MRXNPFEDSA-N 433.559 1.997 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1691512432 DMEACURFIMDMAP-HNNXBMFYSA-N 432.550 1.458 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)OC 1694395012 BWZFKLAHHCZVOU-UXHICEINSA-N 437.548 1.848 30 10 IDEE CCc1cnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1694551954 DRVMDWWSJRNYET-SJCJKPOMSA-N 441.558 1.592 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1696655935 CHTHIQACTOIAEQ-GOSISDBHSA-N 426.521 1.973 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1697044705 GOADTXHMNZVNSH-LJQANCHMSA-N 438.532 1.927 30 10 IDEE N#Cc1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1698488377 OKWOCDSGFWYRCD-UHFFFAOYSA-N 438.463 1.992 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1705559195 UDMVCPQXAXSJDW-MRXNPFEDSA-N 433.534 1.301 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)c2ccccc2)CC1 1705639414 NKYJHZPIAYUOHW-KRWDZBQOSA-N 449.527 1.727 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@@H]2OC)CC1 1705648074 QWBGOJBPLRUKSO-SQNIBIBYSA-N 428.537 1.010 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)C(C)C)CC1 1705653043 XDCGUYLQSHMFOE-GOSISDBHSA-N 430.553 1.258 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1705832654 DMYFUBMGRVHHCA-SFTDATJTSA-N 435.525 1.554 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705833094 UFGPYTMHGIELRM-KSZLIROESA-N 434.541 1.151 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705884330 LVJMIUZREHBJIL-LSDHHAIUSA-N 430.475 1.752 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)C1 1705922239 IZJRRFSETDJTAX-ROUUACIJSA-N 432.569 1.246 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCNC(=O)[C@@H]1CC 1705931417 PDSYZQCWTHGXFP-INIZCTEOSA-N 437.953 1.914 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 1708234426 NDTPBSABZWIOTJ-HOTGVXAUSA-N 448.549 1.234 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CN1CCOCC1 1710697922 LUNYVNSDUMCCRD-INIZCTEOSA-N 441.536 1.318 30 10 IDEE CCOCc1nnc(N2CCc3ccccc3CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1710701191 PUTRNGZWKPCLSF-DQRAZIAOSA-N 436.516 1.946 30 10 IDEE COc1cccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1711937976 LPVKIZSNJQMAQN-IBGZPJMESA-N 440.504 1.721 30 10 IDEE CS(=O)(=O)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1712703862 MXBGJUIDYQIODR-HKUYNNGSSA-N 445.545 1.779 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC2(F)F)CCO1 1712884071 FXWAKDGPAYPGBI-QLFBSQMISA-N 429.493 1.734 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722340936 NBKKMMNCNMZSOI-ZWKOTPCHSA-N 439.582 1.420 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1722381913 WAFGMXZYJBLUIX-NSHDSACASA-N 439.829 1.756 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722505489 KGQXDSNLKMABQR-NJAFHUGGSA-N 434.566 1.673 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722507636 YVALGXADJAHOGZ-GGPKGHCWSA-N 448.593 1.744 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1722697993 AXCRORPEZFMEIZ-LBPRGKRZSA-N 429.506 1.431 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722703340 ZOQGMOVZAFXDTO-GOSISDBHSA-N 437.552 1.244 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)C1 1722714753 PDVLSSRGKNEDSI-YJBOKZPZSA-N 442.495 1.580 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722728781 BAKVFLRZSYPCIW-ZWKOTPCHSA-N 432.594 1.784 30 10 IDEE CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1727897527 XXLFEMKWPOXKFN-MAUKXSAKSA-N 439.520 1.875 30 10 IDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1740621135 TZQQLKRHFDLXOI-GOSISDBHSA-N 440.533 1.348 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1740657708 WJLHYLDTVFJTCE-HXUWFJFHSA-N 448.552 1.877 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1740710363 YGDWSJLIMFNJIB-RDJZCZTQSA-N 441.623 1.508 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1740717515 UVWCCYHUEIGBDG-IAGOWNOFSA-N 439.607 1.214 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1740956456 SDZWPPSTRRYCDV-INIZCTEOSA-N 441.536 1.993 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(NC(C)=O)CC1 1740962275 XUDWVOSZYPCYRW-UHFFFAOYSA-N 426.521 1.285 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1746308487 GLDHVFUKGKOGHH-SFHVURJKSA-N 443.533 1.217 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(C)=O 1747394166 NJTVRQFIBRAVNH-HNNXBMFYSA-N 432.550 1.602 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)cc1OC 1748669630 GGAFHSVRASOWMZ-KRWDZBQOSA-N 430.509 1.269 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1748669671 HDBYFRQSRIUJQK-CTNGQTDRSA-N 440.548 1.919 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC 1748773694 BVSWTSZLANPDOX-UHFFFAOYSA-N 438.579 1.051 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)COC 1748858249 NMDVYSOJINFXFE-ROUUACIJSA-N 431.537 1.942 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1749199756 BZNMECKSYGPXJN-AJKFJFBCSA-N 437.504 1.728 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CC(OCC)C2)CC1 1749330134 XUHGNATWSUHQQK-ICXUMSERSA-N 427.571 1.221 30 10 IDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749690559 YERNISDRJOZXMZ-UHFFFAOYSA-N 438.532 1.381 30 10 IDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1749883004 LBSRQUQMQSMGKN-DYESRHJHSA-N 439.564 1.978 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCNS(=O)(=O)c1ccccc1 1750909521 HHQFRLHEYPMXSK-HNNXBMFYSA-N 433.538 1.133 30 10 IDEE Cc1nccc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CC2)n1 1751803494 CWHCOKSDKJULTF-UHFFFAOYSA-N 448.531 1.641 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760145351 NKONNIBRAGZMDD-KBPBESRZSA-N 436.504 1.375 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760178962 HYDZRMQYZPYQFP-GOSISDBHSA-N 433.578 1.721 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760185930 HBOWYFPERQMLSC-SIKLNZKXSA-N 430.574 1.965 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1760186209 BLKMJMGQPSVDJW-ZIAGYGMSSA-N 429.340 1.317 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1760186946 BISRLSSJIQLWQX-QGZVFWFLSA-N 427.534 1.564 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760188331 JWLHNOTYFAVVRC-KRWDZBQOSA-N 447.561 1.343 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2ccccc21 1760249247 IUYIHMSBVBPKJS-MOPGFXCFSA-N 428.558 1.996 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760378945 CUCHNOCAICNLDH-HNNXBMFYSA-N 432.916 1.365 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1761292194 VZJWHONBZIWFAV-PGRDOPGGSA-N 446.552 1.354 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnnn1CC1CC1 1762239111 AUKCQPICBJBJPO-LJQANCHMSA-N 430.492 1.083 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1767959459 HIOUDFPVYSIPPE-WOJBJXKFSA-N 426.521 1.444 30 10 IDEE CO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770286131 CVKPQGCSMJPZCI-ZREAOVPFSA-N 436.516 1.929 30 10 IDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCCO[C@H]2CCOC2)CCO1 1771539115 NXPQQMZOGVYOBV-PMACEKPBSA-N 427.505 1.824 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1772567028 TYLXJTZITPGYLK-OPAMFIHVSA-N 429.496 1.711 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)CN2Cc3ccccc3C2=O)cc1 1852104322 IPPQPAJRAYYDMU-NRFANRHFSA-N 435.480 1.837 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cccc(-n3cnnn3)c2)cc1 1852217363 LOUWGSXFHSLIHW-OAQYLSRUSA-N 434.456 1.471 30 10 IDEE C[C@@H]1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CCS1(=O)=O 1856066203 YQBHNNPCJUNEDR-ZBFHGGJFSA-N 437.949 1.904 30 10 IDEE CCS(=O)(=O)C1CN(C[C@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1856138509 XAQCIEITQQSPRS-OAHLLOKOSA-N 437.949 1.904 30 10 IDEE COc1ccc(/C=C/C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OC 1860723364 NFAPDMMQYGUYOH-ONNFQVAWSA-N 432.454 1.750 30 10 IDEE C#CCOc1cn(C[C@H](C)O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870561915 ISXKVFRNKULBSY-SFHVURJKSA-N 439.512 1.288 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)OC(C)(C)C 2006228232 MNNQEHDKFOPFMB-XQQFMLRXSA-N 425.345 1.981 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@@H](O)C1 2010507687 KKPRCMASBQGQHO-UFYCRDLUSA-N 428.533 1.841 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCN 2130084666 CWYNBVAJYFNHAO-CQSZACIVSA-N 431.539 1.725 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255527247 IJUMHLKYWSMWHJ-CQSZACIVSA-N 438.305 1.740 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255598194 VIIDEWHRBGFPSN-QWRGUYRKSA-N 430.236 1.238 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255830112 AOXONTIRXHFEKF-KRWDZBQOSA-N 429.326 1.369 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2255841160 XMNLCTOTAKCTCM-NVXWUHKLSA-N 425.342 1.507 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255849560 PTHAPNSCQCBYGQ-NRFANRHFSA-N 436.314 1.681 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCC1 2256058248 IEJGLPKRAUVGBU-UHFFFAOYSA-N 432.330 1.953 30 10 IDEE CN(C[C@@H]1CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267544430 UKCWQCIEWBSGOA-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H](O)C1 2267598748 DZVUFCMPVRSDMP-MRXNPFEDSA-N 449.357 1.378 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)[C@@H](C)C1CC1)NC(=O)OCc1ccccc1 2286033381 RZUNNUKXABGJIW-MAUKXSAKSA-N 437.518 1.798 30 10 IDEE COC(=O)c1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329013124 HHHVIZRMTNJGOK-HNNXBMFYSA-N 444.517 1.249 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2334257953 YZRZDPFEDNFGRF-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE NC(=O)CC[C@H](NC(=O)COc1ccc2c(c1)O/C(=C/c1cccs1)C2=O)C(=O)O 33553644 HIXCLYZMFJEMTD-FSEGOYHTSA-N 430.438 1.578 30 10 IDEE Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1OCC(=O)O 427288558 QEIIWJYCKOAAPZ-INIZCTEOSA-N 431.470 1.876 30 10 IDEE N#CC1CCC(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 442970167 FGHYBMMIFIOVJE-FLMHQWFMSA-N 425.938 1.910 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1ccccc1 460941266 RXBSIEXPOAZFKY-SFHVURJKSA-N 435.550 1.186 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(C(=O)c2ccccc2)CC1 465212338 DGIGDOIJBQGNIM-QGZVFWFLSA-N 433.516 1.873 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCO1 474350907 AFRUKEDNILHCPB-QGZVFWFLSA-N 426.542 1.212 30 10 IDEE COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(F)c1 481781637 QUZGBAPMHDIWBA-PBHICJAKSA-N 447.488 1.512 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 497572684 FNEBWCPDCMLVOF-OAHLLOKOSA-N 430.555 1.107 30 10 IDEE N#Cc1c(CCCNC(=O)NCCCCN2CCOCC2)nn(-c2ccc(F)cc2)c1N 502858890 JCBMALRNMMWMIZ-UHFFFAOYSA-N 443.527 1.809 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(=O)N(C)C)CC1 508462514 XENIKZWNKVIDDU-UHFFFAOYSA-N 446.577 1.686 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCN(C)[C@@H]3c3ccc(F)c(F)c3)CC2)o1 517548441 QPJOWAPPJOQGBT-GHTZIAJQSA-N 444.486 1.817 30 10 IDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 549234873 OUECSRIERHPFIZ-UHFFFAOYSA-N 437.465 1.766 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 727010094 LZIVCHFCWGKIGM-UHFFFAOYSA-N 448.479 1.252 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1 727402993 PQGFYNUCVMBGKP-UHFFFAOYSA-N 429.498 1.534 30 10 IDEE C=CCN/C(S)=C(/C(O)=c1cc2c(cc1F)=NC(=O)CC2)[n+]1cccc(O)c1Cl 735663908 CKRMRKPPILHHBT-UHFFFAOYSA-O 434.900 1.763 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cc(C#N)cs2)c1=O 758068112 LMKCYLXKHGCZSO-UHFFFAOYSA-N 431.498 1.871 30 10 IDEE CC(C)N(C)C(=O)C1CCN(C(=O)CON=CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 762646923 HHACLVSASLMIIK-UHFFFAOYSA-N 433.465 1.641 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766420351 QHFVBACKHASRNQ-SFHVURJKSA-N 426.546 1.985 30 10 IDEE Cc1nn(C)c(C)c1[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 771545630 XBBKISKHDWJGPG-INIZCTEOSA-N 443.451 1.885 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCN1CCc2c(Cl)cccc2C1)c1cc[nH]n1 772640070 LEBBCDBPJWCIAN-UHFFFAOYSA-N 433.896 1.521 30 10 IDEE C#CCCN1CCN(S(=O)(=O)c2cc(Br)ccc2OCCOC)CC1 778613721 POEPBJIKNQIWCF-UHFFFAOYSA-N 431.352 1.804 30 10 IDEE CCOC(=O)c1ccc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 784188001 QNXVIPGUUKPZSV-UHFFFAOYSA-N 430.438 1.328 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@](C)(O)CN2C(=O)C(C)(C)c3ccccc32)n1 790105669 VGQZCWNOANDJBM-DEOSSOPVSA-N 438.528 1.567 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 803522229 AYLDKRHPGQCUJN-IBGZPJMESA-N 429.542 1.630 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 803699164 UBBPXVYGJJOXMX-UHFFFAOYSA-N 432.498 1.160 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 806370757 IZFJWCBZGXXVPN-MRXNPFEDSA-N 431.493 1.448 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)cn1 807941728 UHFYASHMIXAPCJ-KRWDZBQOSA-N 447.561 1.436 30 10 IDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccc(Cl)cc1 810473071 CQOYSQZENMNFPD-QGZVFWFLSA-N 435.889 1.951 30 10 IDEE COC(=O)[C@]1(NC(=O)[C@@H](C)n2cnc(C#N)n2)CCc2cc(Br)ccc2C1 1131154162 HBZJQJHUWGEDFJ-ZMZPIMSZSA-N 432.278 1.690 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1C(=O)OC 1134900843 OSWBDTIGCPBOJK-CHWSQXEVSA-N 425.235 1.120 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)CCN1CCN(c2cccc(Cl)c2)CC1 1136457840 GIGAGUKWASEUKH-UHFFFAOYSA-N 433.984 1.927 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811312 JMJMOCMJDVYAPH-ZDUSSCGKSA-N 449.252 1.725 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1160609283 FFAIDJBXMNBLFC-UHFFFAOYSA-N 432.527 1.503 30 10 IDEE CC1(C)COCCN1CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1221768720 BAKQEXXBPAUHLD-UHFFFAOYSA-N 437.548 1.891 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1286338911 RJAJIXSDMWOPLI-GOSISDBHSA-N 425.537 1.886 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 1286787619 XLIDJDSUUZLETB-MRXNPFEDSA-N 440.577 1.926 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286790657 ILLSSHGSACHBIH-CQSZACIVSA-N 430.459 1.260 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286819956 AUACHQWZKJHAMN-IXDOHACOSA-N 437.566 1.020 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287148091 LLCQBKSJFIRRIB-KKSFZXQISA-N 425.493 1.171 30 10 IDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1299830537 UKRGCSGBJYHPID-YYOAPQJESA-N 433.553 1.352 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1300302413 AEPOCQQAJQGSTH-AWEZNQCLSA-N 431.504 1.802 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@H](C)C1 1300532123 OFFOTEWMSVFWKX-GOSISDBHSA-N 438.532 1.580 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccn(C)n2)CC1 1300708104 NHXFBXMHZIAMNY-UHFFFAOYSA-N 438.561 1.001 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OC)CC1 1300720002 YQEGSSNMIFQPEI-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(COC)CCC2)CC1 1300725628 IRICMMCBCULDAY-IBGZPJMESA-N 429.565 1.955 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1300732761 OLTCIBRNXASRED-GOSISDBHSA-N 434.610 1.331 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300755296 QIGHJQYBOWDBFX-INIZCTEOSA-N 434.591 1.644 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NC)c1 1301412782 JPYZSQNRILYWKT-UHFFFAOYSA-N 426.521 1.561 30 10 IDEE COC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1301414011 JXJOBGYDVZTSOO-PDWMJMLSSA-N 431.493 1.755 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1302361576 CUDZQNQZFDQSLY-UZUQRXQVSA-N 441.532 1.981 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(C(C)(C)O)c1 1303805231 YEZBMYZUWRVWIG-GJZGRUSLSA-N 434.566 1.902 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@H]2CCCO2)c1 1303940426 AHWMLICYZCXPQC-QXAKKESOSA-N 436.530 1.724 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1305174670 JZLYNQJJMYNANB-KYMMKPHYSA-N 445.549 1.086 30 10 IDEE Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(CC(=O)N(CCC#N)CCC#N)C2)cn1 1308012282 LNVFVYUAJCMHAU-ROUUACIJSA-N 428.537 1.823 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1313159729 VBNYFIOHKRCSGP-UHFFFAOYSA-N 427.530 1.541 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@H]2C)C[C@H]1O 1315109242 OVOXKLQEAKYTKQ-ALIIGJLFSA-N 439.516 1.728 30 10 IDEE N#Cc1cncc(S(=O)(=O)NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)c1 1347551612 NVNIUUHTZITUFB-UHFFFAOYSA-N 437.462 1.808 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1358890052 KIGGYMRASAKQKP-FXAWDEMLSA-N 438.557 1.931 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1358930262 QZSUBVKSFBCWGH-DLBZAZTESA-N 446.552 1.702 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1358930372 UGSXZSSGFQUWAN-OAHLLOKOSA-N 440.529 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)CC)CC1 1359043546 YEXXWKGUGGGDDU-QHCPKHFHSA-N 439.516 1.801 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1359089907 RCFUUWRJLDASPY-FHWLQOOXSA-N 443.552 1.499 30 10 IDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@H]1CC 1359150778 GLUCDRLUKUOLSJ-MRXNPFEDSA-N 430.944 1.919 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)NC)CC1 1359304165 ONCYGNNXWCDMEX-UHFFFAOYSA-N 440.548 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC2(CCOCC2)C1 1359331625 DQEAUFCLKIOEJP-MRXNPFEDSA-N 437.566 1.227 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1440437249 PJAJYHXOSMSSEB-TWGQIWQCSA-N 447.444 1.849 30 10 IDEE C#CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 1455182190 DPZRNDMVSQIWEY-UHFFFAOYSA-N 429.336 1.494 30 10 IDEE C[C@](O)(CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C(F)(F)C(F)(F)F 1459979028 DADMFPCSFRHSKN-VIFPVBQESA-N 437.353 1.386 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)CCOC1 1460460845 HXKCELLQXZLASI-WZONZLPQSA-N 444.532 1.280 30 10 IDEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1461765806 HXARKWLDWBEBLM-FPOVZHCZSA-N 445.479 1.771 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1468372446 GYTFITMVSDKFQN-SECBINFHSA-N 434.172 1.769 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 1477682921 MJKDEDLGUKNRDK-AWEZNQCLSA-N 443.367 1.175 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)Cc2ccccc2)cn1 1503648665 FKHXIGQXHQMUHN-HXUWFJFHSA-N 443.508 1.736 30 10 IDEE CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)CCN2C1=O 1503676826 BLEZJURBURLLPQ-KRWDZBQOSA-N 439.520 1.446 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1Cl 1505000062 PDUIBKCUEDLLAT-GJZGRUSLSA-N 436.900 1.858 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NCCC 1507520764 QTZSSWTTYABPRX-HNNXBMFYSA-N 445.593 1.921 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@@H]1C 1507707792 DBKVGUIMWFMZMP-OPAMFIHVSA-N 428.489 1.342 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](COC)C1 1507792008 VFZNTSSXMNTILP-ZNMIVQPWSA-N 431.331 1.762 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507844412 JNXRJPUFSVPQJJ-WOJBJXKFSA-N 446.596 1.508 30 10 IDEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCS(C)(=O)=O)CC1 1507883349 YQNLUTFFTNKTBZ-UHFFFAOYSA-N 442.545 1.876 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1508089158 DRPYJAMEKYYFSB-JKSUJKDBSA-N 439.582 1.266 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508156254 VRRJESPYCINBRB-HNNXBMFYSA-N 430.538 1.071 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1508335842 LVPAGMGBAONHBX-IBGZPJMESA-N 435.532 1.836 30 10 IDEE COCCO[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1519377456 VOLXQOOFPFNTGH-MXLIYFDZSA-N 430.509 1.314 30 10 IDEE CN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CCN(S(C)(=O)=O)CC1 1535066725 FDTUWDNZAJAPCW-CQSZACIVSA-N 438.937 1.447 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1csc(I)n1 1535349522 FXCLFVSQOCPKIV-SECBINFHSA-N 440.270 1.760 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2csc(I)n2)n1 1538919337 XNNSPTLPVWDPFX-UHFFFAOYSA-N 430.271 1.866 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1538970157 AHJYWIKFPGHGGE-IAGOWNOFSA-N 441.561 1.775 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1539015278 OSFNVFWWYCZGNW-MJGOQNOKSA-N 431.562 1.702 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(OCC(N)=O)c1 1539037874 INXMHMBKFBPYOO-SYNHAJSKSA-N 427.505 1.372 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539213009 ZOBUHDSNAFNONM-SFHVURJKSA-N 443.573 1.877 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539215827 JTYVOJPOJPUKBC-UYAOXDASSA-N 442.589 1.699 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CC 1539258559 XXZLNERNUWKISA-SFHVURJKSA-N 429.528 1.749 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539337282 GAXWVZBFJPYEHX-UHFFFAOYSA-N 429.546 1.567 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1539400384 DRAJTTZSLIOOTM-NZQKXSOJSA-N 447.580 1.663 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1539427613 DXQVHYXVFAJBQD-RTBURBONSA-N 445.612 1.059 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N(C)C)CC1 1539490697 ZMFNZADKAYCCFL-KRWDZBQOSA-N 442.539 1.912 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539626829 GPLHTDXFBZDFQH-IVSAIRAKSA-N 425.555 1.080 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1539916204 ICVOQMZHRBGITI-HOTGVXAUSA-N 427.571 1.438 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1539982349 NMJUGBWUQUILFN-OAHLLOKOSA-N 436.538 1.410 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1540047208 FMTUGFCUZLMANL-INIZCTEOSA-N 434.566 1.395 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1540074604 ZXZUXCMASFCVBM-IBGZPJMESA-N 449.577 1.929 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1540888932 BCGMAOXFSSJRJI-PMACEKPBSA-N 440.596 1.790 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(F)ccc2C1 1540897672 PECFFIROXLFHGK-UHFFFAOYSA-N 447.536 1.817 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCOCCS(C)(=O)=O)C1 1541990890 PKQYRSTXGIRCSA-HXUWFJFHSA-N 432.550 1.455 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CC(=O)N(C)C)n1 1543074226 IJEBLPSYFFXMNT-UXHICEINSA-N 432.532 1.972 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](n4cc(CO)nn4)C3)C2)C1 1556806978 VTAYOCWNEUBAFR-REOHEROTSA-N 444.536 1.721 30 10 IDEE N#CCc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1561564039 ATTBZSSTRRJOEC-SJORKVTESA-N 445.463 1.989 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)CC1 1568911387 KOCDPQMCQQGDJW-AOMKIAJQSA-N 432.521 1.616 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1587864777 APIXVBZYSCAXMQ-LJQANCHMSA-N 426.542 1.918 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1588090620 ZOHOTCODORSMBJ-JTAQYXEDSA-N 429.565 1.502 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1)N1CCOCC1 1588433313 OGIDIEVOBZRDBE-OAQYLSRUSA-N 436.560 1.934 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)cc1 1588647260 SRDVUGDUSGRSQU-SFHVURJKSA-N 432.546 1.713 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC 1589198270 QXLSBOWEAMODRK-OAQYLSRUSA-N 426.546 1.978 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1589484719 VVYDTGFKNUIZPJ-AABGKKOBSA-N 446.596 1.556 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N(C)C)CC1 1594023012 BTCFWYNKENZTFT-LJQANCHMSA-N 427.571 1.367 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OCC(N)=O)CC1 1594698382 PBGULVLYHRERGQ-UHFFFAOYSA-N 437.508 1.358 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594812497 GVAQEZXDJQAMCP-IAGOWNOFSA-N 432.525 1.585 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1595550346 CUCKIXWJZQQSAX-QXAKKESOSA-N 443.573 1.865 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1597372114 LZOQVWKCRBLHCK-CECAUBDESA-N 445.541 1.918 30 10 IDEE CC(C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1\N=CC=CC1=O 1598431933 ZFNACSHUVNISBQ-FBMGVBCBSA-N 432.916 1.951 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CCO2)c1 1598447760 BOHJUWFQYVDHBI-MOPGFXCFSA-N 449.916 1.451 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCN2C(=O)c3ccccc3C2=O)s1 1598448587 KEBQNSWNONQDFT-UHFFFAOYSA-N 447.538 1.510 30 10 IDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cs1 1611947427 IWRDTMIPSRJMED-WMLDXEAASA-N 449.606 1.483 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3nc4ncccc4cc3C#N)CC2)cc1 1612010636 LHIBLYRBROXPLE-UHFFFAOYSA-N 436.541 1.910 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1613594225 DNGYYLLBZFELKR-FOIQADDNSA-N 432.550 1.894 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CCC1 1615985329 RWTIVPOVPPYSEJ-WOJBJXKFSA-N 434.606 1.870 30 10 IDEE COc1ccc(CN2/C(=N/c3ccccc3)S[C@@H]3[C@H](C(N)=O)C[C@H](O)[C@@H](O)[C@H]32)cc1 1616175238 SBOHTMZECCKYNI-UFLXRKBESA-N 427.526 1.896 30 10 IDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1617137006 YQWQXJKFHHFENY-KRWDZBQOSA-N 436.578 1.446 30 10 IDEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1617628412 HXWVLUYRUYQVPX-PKOBYXMFSA-N 440.504 1.026 30 10 IDEE CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1F 1618232929 GEDLOSXKUQVGMN-DOTOQJQBSA-N 427.484 1.624 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1618636907 YRDALFOLFQANON-XENKUQMPSA-N 449.515 1.434 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1619239339 AZAJTNGVKQVNMV-NHCUHLMSSA-N 441.532 1.996 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 1623681545 LEBUGHXEPIEFIX-HNNXBMFYSA-N 431.493 1.820 30 10 IDEE C=CCOC[C@@H](NC(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)C(=O)OC 1626208823 WUHHYVRMDWLIPA-ZHRRBRCNSA-N 440.537 1.779 30 10 IDEE CNc1cc(I)ccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1627265316 NEHLFYKEUWRQHT-PEZBUJJGSA-N 440.241 1.589 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)n1 1632090670 SVIPJFGRSQYAII-LBPRGKRZSA-N 444.608 1.703 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1636452687 GQZUJVNBSQYILY-HXOBKFHXSA-N 442.516 1.789 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(F)(F)F 1637392256 LHCACXFMCNBZGB-NILFDRSVSA-N 447.435 1.425 30 10 IDEE C=CCn1cc(CNC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)nn1 1638491535 BLRANCQCDINAKM-PKOBYXMFSA-N 433.534 1.028 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]43)CC2)c1C#N 1638688848 JQIFADVKCBBDPM-JQHSSLGASA-N 428.537 1.752 30 10 IDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1 1639373303 IRJQZAVENAOEIL-UHFFFAOYSA-N 425.470 1.730 30 10 IDEE C=CCONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1640825740 ZYEFDXUUBYLEHA-GFCCVEGCSA-N 443.831 1.505 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 1641378645 BXJSFDZSOUQXBR-KBPBESRZSA-N 426.267 1.656 30 10 IDEE C[C@H]1c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2CCN1C(=O)OC(C)(C)C 1645997500 BFVQIDXNMKAEAX-VFCRVFHLSA-N 448.545 1.810 30 10 IDEE C=CCn1c(SCC(=O)N2CC3(C2)NC(=O)NC3=O)nnc1-c1ccc(Cl)cc1 1648746272 TZPIGXBVHIWPKB-UHFFFAOYSA-N 432.893 1.297 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1648878287 UOGSRXXARGWANP-OAHLLOKOSA-N 441.513 1.067 30 10 IDEE Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1cc(C#N)c(Br)cn1 1649811305 RQOUADHEFVKSOD-VIFPVBQESA-N 428.337 1.973 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)c1 1653431330 UEHAFNWSDIJVJQ-UHFFFAOYSA-N 441.576 1.732 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(Br)c1 1653703730 NULVJCXMHHIZQI-GFCCVEGCSA-N 426.741 1.914 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 1663167314 FRAFZCJAAJJBHL-BXUZGUMPSA-N 445.291 1.436 30 10 IDEE C#CCC1(NC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CCOCC1 1666934897 BEKQRQLJTSIRAS-IBGZPJMESA-N 429.517 1.732 30 10 IDEE N#Cc1cn(CCNC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c(=O)nc1O 1670564434 HZUGKWOYXZTFNS-UHFFFAOYSA-N 431.815 1.680 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(Oc3ccccc3F)c2)CC1 1682242812 UQMFKPKFEHYZMT-UHFFFAOYSA-N 447.492 1.308 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCOc1ccc2c(c1)OCO2 1690052801 QGBKJILRFKKGNB-UHFFFAOYSA-N 435.484 1.671 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2CCOCC2)CC1 1690113543 MNRFHBTUXNNOSI-HSZRJFAPSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)CCOC)CC1 1690119724 PVQLCVCPJARQEX-UHFFFAOYSA-N 426.521 1.007 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1690122118 GXOGENILMXZKGZ-XMSQKQJNSA-N 426.496 1.031 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnn(C)c2C)CC1 1690137921 LVWGSQJFTUMUPH-KRWDZBQOSA-N 443.552 1.058 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690316421 DDMNNULZQGHZBE-VQTJNVASSA-N 446.596 1.540 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1690520387 URWNXBWLXOIMHP-GOSISDBHSA-N 436.568 1.569 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1690642359 KZVOSKRDOUQIFR-KSZLIROESA-N 429.569 1.232 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)C(C)C)C1 1690700509 TVGHDPQWWBXGAO-ZWKOTPCHSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)NC)CC1 1690726673 IMSNTWWCTYRSME-UHFFFAOYSA-N 446.577 1.217 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1691512974 XIPQJCAQXZUIGN-RBUKOAKNSA-N 435.532 1.646 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1692665164 RFQPCDSJMHPQFM-GJZGRUSLSA-N 431.584 1.133 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1692882922 FQTZFBHAUJDHDZ-INIZCTEOSA-N 425.493 1.691 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnn(C)c1C 1698170788 WCYIIYMBCPIMPD-APWZRJJASA-N 428.541 1.269 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@H]1OC 1698289154 CGPQKQRXAFUEGP-AHRSYUTCSA-N 426.521 1.387 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)CCO1 1698493108 IVQXJZWOEULGHR-LLVKDONJSA-N 429.790 1.401 30 10 IDEE C#CCCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1705521763 LCFXBMQWWBESCZ-KNQAVFIVSA-N 428.537 1.836 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1705564386 NMXJNDBMOGPAIE-OAHLLOKOSA-N 433.509 1.189 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1705565580 HRDBVQBVVQWWKX-MRXNPFEDSA-N 444.467 1.688 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1705573312 DOSDTAVJAKHOKY-QUCCMNQESA-N 442.589 1.572 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCn2ccnc2C)CC1 1705634658 FNVQPWWFHZTDFG-QFIPXVFZSA-N 427.553 1.281 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCc1cnccn1 1705658867 CWVDPJCQNDZXKR-UHFFFAOYSA-N 425.518 1.841 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(C)=O 1705671885 AZWPMAJOLOAELK-HSZRJFAPSA-N 433.516 1.710 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705740078 AWNJWTTVIVVKHW-LAUBAEHRSA-N 435.525 1.552 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 1705819597 PKZSHWCEWZCWCA-MSOLQXFVSA-N 438.598 1.252 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(C)(=O)=O 1710568529 GLQLPSHMDXMUJC-HNNXBMFYSA-N 435.506 1.029 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1710839451 NUBLHXXLJZKTQP-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1712832917 DYXICDJITIACDS-OYZNXGNDSA-N 447.499 1.550 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1722296445 QATZXJPASOSGJV-MAUKXSAKSA-N 435.525 1.565 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1722363660 GWMODTRSYKOQKG-MAUKXSAKSA-N 428.942 1.309 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722369313 XMOSKNYWDUHOPS-ZCNNSNEGSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1722384363 VLPOFQOQDXMZSB-JOCHJYFZSA-N 433.556 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2CC)CC1 1722448070 QWCKBXJRHYNHNP-FQEVSTJZSA-N 434.544 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)NC(C)(C)C)CC1 1722450728 OXZOLUHRYPDJNN-QGZVFWFLSA-N 430.553 1.400 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1722522372 MGFOVSSCZOVJEK-MOPGFXCFSA-N 434.585 1.759 30 10 IDEE C=C(Cl)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722558770 XSNDIIRVSRVEHU-SPYBWZPUSA-N 428.917 1.431 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1722559661 DMSFLYDVVITIFO-ZWOKBUDYSA-N 439.582 1.773 30 10 IDEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1722636234 FTFBCZWJHCFLIU-UHFFFAOYSA-N 429.546 1.999 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN3CCCC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722703472 AJVUJJOSTSLMBD-AVRDEDQJSA-N 432.569 1.295 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722728329 QAUCVYHVWWPBTK-UHFFFAOYSA-N 438.598 1.415 30 10 IDEE Cn1cc(Nc2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)cn1 1729578037 AXSBPDJMNFFWNU-QGZVFWFLSA-N 426.506 1.718 30 10 IDEE COc1ccc(COCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1730177014 YXVQARZQIYDVGR-RBUKOAKNSA-N 440.504 1.573 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1731016129 WEQFQTWGRYIBNJ-LSDHHAIUSA-N 434.522 1.061 30 10 IDEE C#CCCCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740590468 MAVTZBUFWYKWTK-IBGZPJMESA-N 435.594 1.980 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740621034 ZNCHBBRBJQOAKC-SFHVURJKSA-N 444.557 1.886 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2CC)CC1 1740691038 SLRNAEGGXDZEFC-QGZVFWFLSA-N 430.578 1.254 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CCC)CC1 1740693413 XUFJBGXVYRONLJ-REWPJTCUSA-N 430.597 1.560 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740736992 WEVAKKWRVSFIBC-HIFRSBDPSA-N 441.374 1.482 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1740957091 AWNKVSBIEWGWBB-UHFFFAOYSA-N 446.515 1.436 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC1COC(C)(C)OC1 1740958512 CEZCRUPDFTWRHQ-UHFFFAOYSA-N 446.508 1.143 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCS(C)(=O)=O)C1 1740981251 MPFLCQZPCXVQOD-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC=C(Br)C1 1740991611 ALTXYJWQTVNPQL-CYBMUJFWSA-N 431.356 1.872 30 10 IDEE CC[C@@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1743831778 LICUFLAAXJAXBY-RHSMWYFYSA-N 436.538 1.606 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)C[C@H]1O 1748333470 CQCSPEBNIDXTQD-FZKQIMNGSA-N 425.420 1.957 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1748638494 QFDCCJBTGNJKAJ-DLBZAZTESA-N 434.504 1.784 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1748817715 OVSJLOCBXZXQSL-QZTJIDSGSA-N 432.521 1.905 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ccn(C)n1 1748950304 IXRLJVHZCDOYBM-UHFFFAOYSA-N 432.326 1.914 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCn3ccnc3C2)CC1 1748971090 CKHWLVBGGDSWJC-SFHVURJKSA-N 438.580 1.411 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCOC2)CC1 1749020005 HXNOHFJRGLCISN-HOJAQTOUSA-N 445.564 1.395 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749131824 WCHGVHMEVMGYJK-VQIMIIECSA-N 425.599 1.976 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749241478 OWHYAGNTUZEHAP-XMSQKQJNSA-N 448.568 1.467 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)(=O)CC1 1749424885 QVDWJPGOIUVGDZ-UHFFFAOYSA-N 438.579 1.439 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1749462114 NQNSKJAUQMUECJ-UHFFFAOYSA-N 434.504 1.828 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1749590187 RPKJQOYIEQWCES-UHFFFAOYSA-N 432.569 1.802 30 10 IDEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749633479 AZOKXDYFJBIJHI-UHFFFAOYSA-N 437.548 1.775 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCCC)CC1 1749664172 HDFRRVLKVNYHRK-UHFFFAOYSA-N 425.537 1.775 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749756089 RSWWJIQPDMWZCD-KRWDZBQOSA-N 443.639 1.857 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749771869 AIVBGFFQTFNLPE-MBSDFSHPSA-N 440.548 1.779 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1749832938 XKCCUYXRTAQNNS-UWJYYQICSA-N 432.525 1.105 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1750089000 LJPTVHGBZIENHU-KBPBESRZSA-N 434.522 1.285 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CCOCC1 1750966601 JNSQOGOZDZQAHA-UHFFFAOYSA-N 438.536 1.436 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760182596 GSDUACWECVRBNW-KXBFYZLASA-N 437.953 1.781 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1760280927 JUAVMMZTJNUJJD-KRWDZBQOSA-N 441.623 1.746 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1760283958 DHBSFAFAMQIRJD-CQSZACIVSA-N 432.575 1.303 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1760317757 AHFAOIRTBKVCIJ-RXVVDRJESA-N 439.564 1.579 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1760554934 RDRHKDPCDJVOGE-UHFFFAOYSA-N 439.611 1.572 30 10 IDEE CCCN1CCC[C@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1764491009 WLYGRMVIYQICDT-NNMXDRDESA-N 432.569 1.922 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1767190305 ZVLGCTUOVSXLQV-MKJPBZQASA-N 433.509 1.551 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(CC(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@@H]21 1770271777 FUPQGLPBPKEEEU-WSKPXFJMSA-N 428.537 1.864 30 10 IDEE CS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1770335209 WERWBNQITLGVML-MSOLQXFVSA-N 442.545 1.302 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCN(C)C1 1771110653 ONSWRXWVENTCFE-HXUWFJFHSA-N 429.481 1.286 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1771172450 QEAKYCRUGLBWIV-QKLQHJQFSA-N 444.536 1.672 30 10 IDEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771480322 MICPPRUSQIJBEV-GJZGRUSLSA-N 441.565 1.359 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCC#CCN1CCOCC1 1850241990 LKYBDMAKDRTZCS-SFHVURJKSA-N 427.954 1.095 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1 1851146725 QECHLDXDHLBVRJ-IBGZPJMESA-N 449.511 1.680 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCNC=O)=C(N)Oc2c1c(C)nn2C 1864318207 RUZRHWJXOFKOLH-SFHVURJKSA-N 425.489 1.240 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870502518 JMRNNNKXPXOXRN-UHFFFAOYSA-N 446.529 1.847 30 10 IDEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCN(C)CC2)cc1=O 1870559533 GHPYHSLQBGJXTF-UHFFFAOYSA-N 425.529 1.868 30 10 IDEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870876535 LAFFICMOJZNIOK-UHFFFAOYSA-N 435.502 1.626 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCc1ccc(S(N)(=O)=O)cc1)n2C 1873566924 ZMEMEOLYASMRKW-UHFFFAOYSA-N 440.529 1.724 30 10 IDEE Cc1ccc(=O)n([C@H](C)C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)n1 1889387135 PCIWTVLTGFHXQF-OAQYLSRUSA-N 443.592 1.150 30 10 IDEE C=C(Br)CS(=O)(=O)N=[S@@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2006228189 LXXIRHMTTYVBGK-HSZRJFAPSA-N 446.389 1.790 30 10 IDEE C[C@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2248394701 BGJFIUQKPUBJND-RYUDHWBXSA-N 438.359 1.843 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2255524468 RKYCIFLTALYPTD-ZDUSSCGKSA-N 438.305 1.740 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2255666174 PGXFLSKRPGCKAQ-ZDUSSCGKSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255704683 LFYQNBIJDSZFMQ-UONOGXRCSA-N 436.314 1.679 30 10 IDEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2255842744 WYEUEBLIJMQKQP-CQSZACIVSA-N 432.330 1.857 30 10 IDEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255874067 QXDSHEJSGJDTEE-UHFFFAOYSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255878325 WZLMDLUBOOBTRJ-NRFANRHFSA-N 435.330 1.386 30 10 IDEE Cc1cc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2260826381 FPZOZRPWEYXTRE-QGZVFWFLSA-N 434.342 1.796 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267119900 BZWRGMSRCWDJOB-HALDLXJZSA-N 446.357 1.657 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C#N)C1 2267265170 BIJDYLQEMCVAEX-QGZVFWFLSA-N 442.325 1.966 30 10 IDEE Cn1ncc(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513589 WTTGLPWGOSBVDF-JOCHJYFZSA-N 446.357 1.945 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267547834 OAFYLSVPPGSNGB-HUUCEWRRSA-N 446.357 1.658 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267876827 PTVUMBIAOBOUCC-QDMKHBRRSA-N 444.341 1.619 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268640546 XUZKNGKMOHHBKL-OAHLLOKOSA-N 446.357 1.870 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@H]3CSC[C@H]3O)C(=O)[C@@]12C 2297591712 ZLCUAISAQVPXBL-KDGBHJTFSA-N 445.493 1.635 30 10 IDEE CC#CCN(CC(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 2300545130 OOOSWDXCACHRMF-MRXNPFEDSA-N 437.537 1.830 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2312844669 AWDQIBOGWUASSY-CPUCHLNUSA-N 435.330 1.134 30 10 IDEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NCc2cccnc2)n1 14157765 WHKMBHVTGBZGDH-UHFFFAOYSA-N 442.593 1.643 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@@H]1c1ccc(O)cc1 72472505 DZIMLKHDAFQETO-MAUKXSAKSA-N 445.435 1.844 30 10 IDEE CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@H]1CCN(c2ccccc2F)C1=O 440332924 BBZCQJLZXUMENX-INIZCTEOSA-N 426.452 1.851 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 440858691 LVEIWDWXFZRXJE-AWEZNQCLSA-N 442.476 1.320 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1cc(C)cc(C)c1 441184841 QLTOQGQHLBCUQX-VURPSTOHSA-N 427.501 1.975 30 10 IDEE CCCc1c(NC(=O)C(=O)N2CCSC[C@H]2CCO)cnn1-c1cccc(C#N)c1 443700042 RDCDCRPYEHDMMH-QGZVFWFLSA-N 427.530 1.961 30 10 IDEE CCC1(CC)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 464339549 RVMDRTCJCDLFQZ-GOSISDBHSA-N 432.546 1.658 30 10 IDEE COc1ccc(CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c(OC)c1OC 489081016 VCZILNOLZHDMNM-UHFFFAOYSA-N 446.529 1.794 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 493919523 JMUKAXSINLDVCN-OAQYLSRUSA-N 438.494 1.887 30 10 IDEE COC(=O)C(C)(C)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 494449875 JPAYPRKSDRVXRL-QGZVFWFLSA-N 433.578 1.026 30 10 IDEE N#Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C#N)cc2)CC(=O)NC2CC2)cc1 507421122 MZLPHRANZSWTJY-UHFFFAOYSA-N 430.468 1.588 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 508850533 VKWHTPYIELBLOR-CYBMUJFWSA-N 425.584 1.161 30 10 IDEE Cn1cc(C#N)cc1C(=O)NCCN(CCN1CCCCCC1)C(=O)c1cc(C#N)cn1C 552229488 HCLQKKXCLMLTOV-UHFFFAOYSA-N 449.559 1.855 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@@H]1CCCO1 553464811 MAJGYGISWXSHPS-INIZCTEOSA-N 429.517 1.566 30 10 IDEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c(C)c1 603798227 KGIVIYRYMZABCD-GOSISDBHSA-N 437.565 1.796 30 10 IDEE C#CCNC(=O)CN1CCN(CCCOc2cccc(I)c2)CC1 728571160 CUZWOOIQDLGFOT-UHFFFAOYSA-N 441.313 1.427 30 10 IDEE N#C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCN1C1CC1 732650012 XIVSTBJYZLMYNO-INIZCTEOSA-N 438.937 1.173 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CCN1C1CC1 732669677 OGHVIXDJOHERIF-GFCCVEGCSA-N 428.308 1.581 30 10 IDEE N#Cc1ccc([C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(N)=O)cc1 734562003 OKOVFHKVZPJSBR-LJQANCHMSA-N 427.482 1.729 30 10 IDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(C#N)cc1 740178125 IHTDPISAAYRFEB-LJQANCHMSA-N 430.438 1.497 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)[C@H](O)C1CCOCC1)CCCC2 740972096 LGUHNWLBRQJEBV-IIBYNOLFSA-N 445.516 1.687 30 10 IDEE C#CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 742213471 IYAUJNQMONJGLZ-KRWDZBQOSA-N 429.546 1.198 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccnc(C#N)c1 747008755 VIZQBVONVSPIQG-KRWDZBQOSA-N 435.889 1.883 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCSC 751832597 TVEXAZPBAANNLQ-UHFFFAOYSA-N 441.582 1.340 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2C)nn1 754377672 AVSTVXIUZLAKDE-OAHLLOKOSA-N 441.492 1.955 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1CCO[C@H]1C(=O)O 757479448 LDCGRPNTZLLXRA-RBBKRZOGSA-N 434.448 1.887 30 10 IDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 762613706 WGAHPRIEIAICCV-OAHLLOKOSA-N 432.502 1.538 30 10 IDEE N#C[C@H](C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 766871548 ASZPRZQKPOKCLB-ZWKOTPCHSA-N 447.513 1.001 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCc2nnnn2C)C1=O 771542961 LQWVUAHLDXPGBF-ZDUSSCGKSA-N 432.897 1.045 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC(=O)N2C)cc1 781595972 PXJPIBPRPQNPQZ-LIRRHRJNSA-N 431.445 1.730 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(C(=O)OCC)c3)cc2C1=O 781646649 SKNPDZYFZFHDEI-UHFFFAOYSA-N 442.449 1.764 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCS(=O)(=O)C1 787371273 VPGFXIDITPAYMZ-NVXWUHKLSA-N 440.363 1.860 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790763283 WUKSLKOKHZXZES-OAHLLOKOSA-N 425.580 1.274 30 10 IDEE Cc1cc(I)ccc1NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798744823 VRDHCYFQECXFJD-SNVBAGLBSA-N 439.213 1.806 30 10 IDEE COc1ccc2ccccc2c1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 916201222 IFURJGPUJYUTEO-UHFFFAOYSA-N 446.532 1.430 30 10 IDEE Cc1oc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCCC1 916778153 PTOYVYJIAMBNLW-UHFFFAOYSA-N 437.499 1.504 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccc21 1134649850 OQCKDZGJGAXHCS-HRAATJIYSA-N 431.514 1.995 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCS2(=O)=O 1134650656 QADRDZABGNQFQS-IBJAEKGXSA-N 442.534 1.263 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCCN(CC(N)=O)C1 1136672101 BUJWKGSSCDXSEG-FXAWDEMLSA-N 441.532 1.458 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1137885023 TUBMDJHZYJGSSV-QGZVFWFLSA-N 430.505 1.857 30 10 IDEE N#Cc1cn(CC(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c(=O)nc1O 1138319094 IEAYAGNGZKGWDG-LJQANCHMSA-N 432.436 1.464 30 10 IDEE COCCN1[C@@H](C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C 1143202910 KTNDUTWLFGXKAI-JTDSTZFVSA-N 427.505 1.331 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C[C@@H](O)COc3ccccc3C#N)C2)CC1 1170093739 DZPLGKAVQLGUKY-WOJBJXKFSA-N 430.549 1.925 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 1179745694 WWLYPMDCIKHWTK-IAOVAPTHSA-N 434.518 1.445 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1214261749 YGPGCJFLNXXIFD-AEFFLSMTSA-N 439.534 1.961 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1286375942 AVLNLVHRGSPJFC-LJQANCHMSA-N 431.562 1.703 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1286401911 VPUDQBQBPAYYMT-QHCPKHFHSA-N 431.500 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1286492731 IJUTYAXCKFRPBT-UYAOXDASSA-N 428.581 1.480 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)CC1 1286645384 CDCHKZZAQBFVGW-HNNXBMFYSA-N 425.555 1.861 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O)C1CC1 1286731346 IVAGPTCKYWVIDP-UHFFFAOYSA-N 431.522 1.116 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286782058 JFEFACOAVINTDC-HXUWFJFHSA-N 435.532 1.420 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286793509 GYBRCPOQMNQWGL-LJQANCHMSA-N 438.532 1.784 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1287032222 LBFSUPFXMAALPY-UHFFFAOYSA-N 441.536 1.954 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C#N)o1 1292121910 JQPWVPBFEBLIEV-KRWDZBQOSA-N 436.520 1.886 30 10 IDEE CCOC(=O)CNC(=O)C1CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 1295333907 RLADNHYEHQAZIT-UHFFFAOYSA-N 431.489 1.644 30 10 IDEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1299683588 KEQTVIIHEPKOFB-DBDZUICISA-N 436.511 1.885 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1300497180 XVANHNWFIBRGLE-QZTJIDSGSA-N 432.521 1.791 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(CCOC)c1 1300541264 OWEKWCDHQMEJDM-UHFFFAOYSA-N 428.500 1.481 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCSC2)CC1 1300689561 YOXHZRIMGGVVHD-FQEVSTJZSA-N 428.518 1.477 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1300697821 KDYUUPPHIUGSGL-UHFFFAOYSA-N 442.589 1.599 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300756858 VCDQSEFXNOAGLP-YLJYHZDGSA-N 430.622 1.901 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300843969 LVUVURFDEBYKIE-HUUCEWRRSA-N 428.331 1.422 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)s1 1301432358 YRYNDSMYFFTFMD-MRXNPFEDSA-N 441.619 1.857 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1nccs1 1302093967 OGPPFSAAWUAGAL-RDJZCZTQSA-N 431.566 1.878 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1303446977 BRHWPISVEAIKGM-UHFFFAOYSA-N 433.520 1.849 30 10 IDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCN(C)C)CCO2 1305248269 BRUHUIBTYMZWBJ-MBSDFSHPSA-N 440.548 1.779 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1306428220 LCFYZKRGWLWKNR-BAEHRGANSA-N 445.549 1.087 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCO[C@@H](CS(C)(=O)=O)C3)c2C#N)C1 1308116743 JLXRSHHIOHFLQM-ZIAGYGMSSA-N 425.576 1.819 30 10 IDEE C#C[C@H](CO)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 1310163672 NXMVZFQDTGZJDP-CQSZACIVSA-N 425.441 1.790 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C#N)C1 1314549232 SUQQVRCEYJPYDE-MRXNPFEDSA-N 444.517 1.749 30 10 IDEE COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)cc1 1315423942 CHSKCERHLYHWKV-UHFFFAOYSA-N 442.501 1.548 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1316507406 MUIPBGXUJYBSKL-SCYHOBCLSA-N 430.509 1.660 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2CCS(=O)(=O)CC2)c1 1316529743 DBUBTJMCJHLPKX-SFHVURJKSA-N 442.545 1.343 30 10 IDEE C#CCN(c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1343388101 XYEPRHSOWHDHGC-KRWDZBQOSA-N 448.570 1.551 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cc[nH]n1 1358889723 FVDVUSSCWYZRCH-MRXNPFEDSA-N 448.535 1.063 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCC(=O)N2CCOCC2)c1 1358902162 GMHFHEMLQFUMIX-UHFFFAOYSA-N 436.516 1.461 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1359010282 LMVAEEDGESGTHP-HXUWFJFHSA-N 445.589 1.930 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(N(C)C)CCSC2)CC1 1359030077 NUEYOIBIGWGPEJ-GHTZIAJQSA-N 436.626 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CC)CC1 1359041553 AMQNWJZFJZCUBZ-PKTZIBPZSA-N 447.580 1.446 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)CC1 1359173850 PTGATXYFRUHEFG-JKSUJKDBSA-N 426.587 1.011 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1359323740 VZEIEMQVDLNGGP-MOPGFXCFSA-N 446.577 1.469 30 10 IDEE CC(C)(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359494399 WTVNXFNLYWVYKT-HDICACEKSA-N 440.504 1.453 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)C2=O)cc1 1463129969 SOTAUXYTVLXSGP-QZTJIDSGSA-N 444.513 1.189 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OCC 1463723023 BAVFPQLXKMBVOL-NSHDSACASA-N 447.311 1.677 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)ccc2OCCOC)nn1 1463926049 IPGZBYXURLTWFB-UHFFFAOYSA-N 431.312 1.730 30 10 IDEE CNS(=O)(=O)CCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1469834681 XTBSWWYAORSJRN-BQBZGAKWSA-N 433.321 1.348 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CCOC1 1470266413 GSDUPKVAIPQUOJ-IIBYNOLFSA-N 438.525 1.050 30 10 IDEE CCOc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)nn1 1470402230 BOQIINUFCOCWRC-UHFFFAOYSA-N 429.502 1.011 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CC2(CCOCC2)CO1 1471227795 SWVIUKCFYZUDAI-QGZVFWFLSA-N 449.573 1.987 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NC1(c3cccc(C#N)c3)CC1)CCS2(=O)=O 1471537455 ADMIXGJOCIQORH-RYZJOYRSSA-N 431.514 1.746 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCSCCCO)n1 1492517978 MGIXUAIWNJZAQS-SFHVURJKSA-N 427.578 1.941 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1504392218 UKHPUXYXHVRZKE-SFHVURJKSA-N 436.472 1.808 30 10 IDEE COCc1nocc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1504659243 NWZNUMBRWGLZFY-CQSZACIVSA-N 434.522 1.493 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CCO1 1504719935 BMSWVQLEUNSMEI-GOSISDBHSA-N 445.545 1.636 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(C(N)=O)CCOCC2)c1 1507548859 WNNAIUOXVWPFSM-UHFFFAOYSA-N 438.532 1.740 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1507556171 FDDONONJKJQXQZ-INIZCTEOSA-N 446.581 1.563 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507588176 GZGJXZUYMBSLNF-ROUUACIJSA-N 435.594 1.283 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1507592099 PVQIZBNTMOOTCF-CYBMUJFWSA-N 444.483 1.982 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1507639822 MHJMUXAXABXQOS-OAHLLOKOSA-N 433.559 1.306 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1507658512 CJTAEIIRGLSEQX-UHFFFAOYSA-N 426.521 1.455 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1507719412 NMOHPNGFIHYHRY-XUZZJYLKSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)C(C)(C)C)CC1 1507726099 DTHDCQXXGGWERS-UHFFFAOYSA-N 438.576 1.817 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507888695 PCLILCZPYUEPKJ-OAHLLOKOSA-N 435.575 1.861 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507969032 ZRYKMFBHKYOPDK-DLBZAZTESA-N 432.525 1.238 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1508020828 QOKCCVJYDYPRDE-UWVAXJGDSA-N 439.582 1.341 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CCCOC 1513972727 LSYQLOJNHJSJDG-LJQANCHMSA-N 425.537 1.500 30 10 IDEE COc1ccc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1C#N 1533572000 QKXBWNGYHKNNTG-IIBYNOLFSA-N 449.529 1.465 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 1535945835 LPKOGXGPBDFVGS-MRXNPFEDSA-N 427.523 1.706 30 10 IDEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(I)c1 1538539527 IZIMXGKPJNWTDV-BONVTDFDSA-N 446.266 1.310 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539053390 QVMQHTIFCUWJPB-YJBOKZPZSA-N 448.597 1.742 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1539226222 VQUYWPVYBYRWOR-LJQANCHMSA-N 429.546 1.483 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539226515 ZPBRAEYOCVRHHS-MOPGFXCFSA-N 431.562 1.562 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCOC1 1539409363 YNAFMPUGKXGKGR-QGZVFWFLSA-N 436.516 1.705 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1539453400 JUWFUKRSUZQKGY-UNMCSNQZSA-N 439.560 1.684 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539626905 HCJADZWQOOVWMV-RTBURBONSA-N 446.577 1.793 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4n(c3C#N)CCOC4)c2)C[C@@H](C)O1 1539995368 ADQKZNRGCJZMEM-ZIAGYGMSSA-N 445.501 1.335 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1540549892 BEUIALUOZATTPN-QGZVFWFLSA-N 432.571 1.948 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2CCOC2)CC1 1540861999 OBCPDPNLZWQMKO-KRWDZBQOSA-N 432.569 1.752 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3(C#N)CCCCC3)CS(=O)(=O)[C@@H]2C1 1546233787 OLPAJDZVDBUNHX-BZUAXINKSA-N 425.551 1.999 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1554548314 LWDWRTJUYLSTET-DNVCBOLYSA-N 439.447 1.881 30 10 IDEE COCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1555439979 HYTRLSANJDLYFY-HOTGVXAUSA-N 440.570 1.024 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nn(C)cc1Br 1556676476 BQYCMCNDPRZPFQ-SNVBAGLBSA-N 426.296 1.037 30 10 IDEE C[C@@H](CC(=O)NCCc1nc2c(s1)COCC2)/N=C1/NS(=O)(=O)c2ccccc21 1558588291 AGOJABXTKBRAIX-LBPRGKRZSA-N 434.543 1.392 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 1559945912 GOCFEXDORHUMAW-GIWBLDEGSA-N 444.551 1.834 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1585666304 SSZZHDCDSOLMRA-MRXNPFEDSA-N 430.571 1.846 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1587765771 JUQFCFHIBFBOCD-QGZVFWFLSA-N 429.550 1.100 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1587804278 XHGDBMNBAAVOQW-MRXNPFEDSA-N 434.541 1.560 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1588140356 VVAUQOUFBNCLAY-UHFFFAOYSA-N 449.559 1.457 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1588193528 GTJXFVPDVSOGAV-UHFFFAOYSA-N 434.378 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCCC2=O)CC1 1588929925 JCHAEUNJRSTJRZ-IBGZPJMESA-N 442.564 1.150 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1594824780 PWATYSAMQMPKNB-UHFFFAOYSA-N 431.459 1.887 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO 1603336776 OXZQZDWGXJNVCU-OTWHNJEPSA-N 448.589 1.342 30 10 IDEE CC(C)(C)n1ncnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1611766958 FEPTYRNWMIVLBO-FOIQADDNSA-N 446.581 1.705 30 10 IDEE C[C@@H]1CSCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613017029 LYMVYGWBUIEHSU-SYWZAZHRSA-N 432.550 1.640 30 10 IDEE CN(CC1CCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1618074687 IQDAUZNZHXHLQW-QGZVFWFLSA-N 434.522 1.360 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)C1 1620345590 GADKCNNZQYKICM-NRFANRHFSA-N 440.483 1.770 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCc1cncc(C#N)c1 1635329226 QFXWNFZOMBVEBG-GVDBMIGSSA-N 434.518 1.240 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1636266501 GHCKOPUCJUNMQZ-IBGZPJMESA-N 429.502 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2C(=O)CCN/C(O)=C1/N=CC=CC1=O 1637402897 LOUPFMNXRPSLOJ-ZCXUNETKSA-N 434.493 1.489 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)cc1 1640326067 HAAFSSBQLTVUHM-QGZVFWFLSA-N 434.518 1.450 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 1645415873 SRUQXSIEVMLONY-JONULYECSA-N 448.317 1.702 30 10 IDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)C1CCOCC1 1645987764 URIXURCOCUOMCM-ROUUACIJSA-N 440.949 1.418 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC)C(=O)OC(C)(C)C 1648593616 YYUUJBICUBIDLL-MRXNPFEDSA-N 425.526 1.951 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NC[C@@H]1CCCN(CC#N)C1)N2C(=O)OC(C)(C)C 1648595356 JWUXLUOHABOAOR-KFGODFMUSA-N 434.537 1.525 30 10 IDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NC[C@H]3CCCN(CC#N)C3)cnn2c1 1650833757 GZBGBCNLHXZGQA-MRXNPFEDSA-N 441.536 1.762 30 10 IDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1653831142 CXCVCDVDPIBONX-SFHVURJKSA-N 443.481 1.243 30 10 IDEE C[C@@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1661443339 GRCSUHCJWVGCEP-LLVKDONJSA-N 434.331 1.926 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)C(=O)OCC 1665497525 QRHJEDGNIJDEFO-NSHDSACASA-N 435.882 1.843 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccccc2OC)CC1 1678595108 WSGJRQLHKWAZTO-NRFANRHFSA-N 442.541 1.579 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1690072327 CYKKPSYUYJCUAE-GOSISDBHSA-N 447.543 1.910 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)Br)CC1 1690109011 CMWLHXIVIFUBRF-UHFFFAOYSA-N 431.285 1.257 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690287919 ADVLAIQDAKGYQZ-MRXNPFEDSA-N 436.582 1.483 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)C(C)(C)C)C1 1690714897 XUCVZPFVPBOPML-KSZLIROESA-N 435.569 1.946 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690723037 FTEMFDFROWAQKP-MRXNPFEDSA-N 432.550 1.306 30 10 IDEE CC(C)CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1692455297 OQLMUAPPHAMYFW-CABCVRRESA-N 430.600 1.396 30 10 IDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1692493959 AFNLQSYEQHRDHU-FDDCHVKYSA-N 440.548 1.799 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1692583727 OJZVPXBMUYHFNA-FDFHNCONSA-N 430.553 1.927 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1692888154 XCCVDBYHRHBJOO-ZBFHGGJFSA-N 448.549 1.498 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)COC 1705576896 SRPWASBROFYIGO-KRWDZBQOSA-N 429.546 1.551 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)CC1 1705637838 NTMMGJHIJZVCBC-UHFFFAOYSA-N 445.527 1.534 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705663923 HCWFMQUASHJMGQ-LJQANCHMSA-N 432.575 1.338 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705681317 RQVCVXGNANXHNQ-QWHCGFSZSA-N 430.303 1.552 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1705754733 FAQKDLOXSNCNFT-HUUCEWRRSA-N 433.962 1.369 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)NC)CC1 1705776420 FZOXNQOXWLEAJA-IBGZPJMESA-N 427.571 1.270 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1705843642 KMLZMPJGZZMSET-HIFRSBDPSA-N 440.595 1.802 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1705884935 BKLAMTVCNZNHOP-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCS(C)(=O)=O 1722355998 RPNKASUYBXJHIO-UHFFFAOYSA-N 427.324 1.734 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722412127 VVRQQDFSMUTDPT-HOTGVXAUSA-N 439.582 1.801 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@](=O)C(C)(C)C)CC1 1722435923 RNWFTSXJAXWRQA-HKBQPEDESA-N 443.573 1.976 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1722443341 GXRFIIHTALIXQQ-UHFFFAOYSA-N 442.527 1.873 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCn2nc(C)cc2C)CC1 1722450389 GSMKLYWNRHIPEW-HXUWFJFHSA-N 439.564 1.999 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722549344 KUUNIGKRWYOEJQ-CQSZACIVSA-N 426.930 1.518 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1722609470 WMSWIEADIINRBH-QGZVFWFLSA-N 446.577 1.817 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722683748 YYZKFKIOEZATNT-HZPDHXFCSA-N 433.490 1.496 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1722689942 BYRFBLPKRBQHJS-HOTGVXAUSA-N 425.493 1.233 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](COC)C1 1722729106 FNDLJDRIXVXVOU-HNNXBMFYSA-N 425.580 1.707 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)O[C@H](C)C1 1722730420 RBIYHBQGQQIRAV-CVEARBPZSA-N 425.555 1.005 30 10 IDEE Cc1ccccc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1724574697 GCEKFUGARDHNHO-GALDBLJUSA-N 435.488 1.092 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCC[C@H]1C 1727658052 ARLUBJAQTPPCDH-XLIONFOSSA-N 437.548 1.928 30 10 IDEE CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728721272 UPCWDQXTWMBNOI-UHFFFAOYSA-N 439.520 1.864 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1729338878 HCFLYKXKJHOOIB-QFIPXVFZSA-N 439.520 1.426 30 10 IDEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1729985859 IAFCBFGBNWIGIN-YCRPNKLZSA-N 444.467 1.099 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1731185969 NRRBLYJZWVTIAO-AEFFLSMTSA-N 439.495 1.452 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C(=O)NC 1740566295 REYIGSJGSGMXBD-INIZCTEOSA-N 431.562 1.970 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740622163 VWECIJUWCDWZFQ-CSODHUTKSA-N 429.546 1.518 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1740699814 VDDQKHGGWFXXAW-UHFFFAOYSA-N 431.504 1.166 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnnn2C)CC1 1740707066 NKHMWLFBJBKNBJ-UHFFFAOYSA-N 436.495 1.151 30 10 IDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740788834 XZXAVQXKKOKPFO-LJQANCHMSA-N 434.585 1.365 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740952808 ODLKIMBGQNYTRO-YTQUADARSA-N 427.505 1.899 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1740957129 CABYHBIHWVQMAU-SFHVURJKSA-N 425.468 1.698 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740961463 DDKWGDJLVANKHZ-UHFFFAOYSA-N 449.563 1.012 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1740992724 SZWLCVQJVJQRLV-UHFFFAOYSA-N 426.587 1.319 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOCC(F)F 1741931580 QKFHCMLLNDAFIG-CXAGYDPISA-N 434.513 1.690 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1742905164 AMGOYABKRIZCIP-MRXNPFEDSA-N 444.561 1.699 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1743361304 AIDTYUZUGMVBJN-IEBWSBKVSA-N 437.548 1.629 30 10 IDEE CC[C@@H](C)c1nnc(N2CCCN(CC)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743724172 KRPHSCOTVOXTBL-MEUCICPISA-N 429.525 1.377 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1748698367 GNTVOKPTORCOAK-FUHIMQAGSA-N 439.582 1.466 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1748710108 GSYHVKBQCHUUNG-UHFFFAOYSA-N 448.549 1.327 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1748750251 BGZPWRWJYYGOFW-YADHBBJMSA-N 444.624 1.817 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1748830049 NXSIWZILDMORDD-OFNKIYASSA-N 429.565 1.360 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2[C@H]2C[C@H]2C)CC1 1749015806 NYYFYBRZSHVDSU-ZBFHGGJFSA-N 426.546 1.816 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1749022744 LSHDHGGVQOAOFD-MRXNPFEDSA-N 425.566 1.921 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749358150 GAYOFLROUDOWFX-INIZCTEOSA-N 438.540 1.813 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1CSC 1749655671 OTTXPAFHUQPCRK-INIZCTEOSA-N 449.602 1.983 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1C1OCCO1 1750008525 ORYCPJDLMBXKTD-SJLPKXTDSA-N 443.504 1.825 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750562408 JAVNOHFCBIBQOO-UHFFFAOYSA-N 434.504 1.970 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760178128 AZCRQKNZGNWLSX-INIZCTEOSA-N 433.534 1.217 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760185819 DYCRUYCUZBIJKI-RTBURBONSA-N 433.553 1.909 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOCC2CCOCC2)CC1 1760262861 FDYSCCJHDPRMHU-UHFFFAOYSA-N 438.576 1.852 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC(F)F)CC1 1760263260 UMBGRIWAQFTKDR-UHFFFAOYSA-N 429.475 1.554 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1)C1CC1 1760476679 CHPJFCQZCNDKBN-LJQANCHMSA-N 446.577 1.712 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760509642 WVAYSVGEHYIVKY-HUUCEWRRSA-N 443.508 1.671 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1760524516 ZRBBUAQKDXRLMF-ZWKOTPCHSA-N 432.569 1.607 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1760531077 BWCSRJDIERCQEQ-KRWDZBQOSA-N 438.532 1.681 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CCO1 1760669742 ZFBIPQFJDYPLIT-SFHVURJKSA-N 448.474 1.830 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@H]2C)CC1 1761192511 ISRMZEQKIXYKTF-VQIMIIECSA-N 435.532 1.646 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1767897517 HSUWOMSOOKMUOY-GOSISDBHSA-N 426.546 1.865 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1767944755 BDBLESLTSMVRBM-ZWKOTPCHSA-N 426.477 1.245 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1768788978 BHYNNAGRDZYGOB-MGPUTAFESA-N 427.440 1.384 30 10 IDEE Cn1cccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1769043090 FKOFWVKEKFVKGU-LJQANCHMSA-N 432.550 1.353 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)COCC2 1771113676 ZUIQIUGWKXZCJN-UHFFFAOYSA-N 438.532 1.888 30 10 IDEE COCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1771124170 FJCIPCLGJJGPDI-OAQYLSRUSA-N 426.525 1.422 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1771222932 OIWPPSRZXKKVEO-LPGCABEGSA-N 447.561 1.658 30 10 IDEE O=S(=O)(NCC#CCN1CCOCC1)c1cc(Cl)ccc1OCC(F)(F)F 1849270885 JFZVZDUPNFPBFP-UHFFFAOYSA-N 426.844 1.895 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)CC2)c1 1849896598 UZHQWKBIDZLFFG-SFHVURJKSA-N 439.541 1.565 30 10 IDEE C=CCOC(=O)[C@@H](NC(=O)[C@@H]1COCCO1)c1ccccc1I 1850705243 KDZBSNTYXXEHPE-KBPBESRZSA-N 431.226 1.593 30 10 IDEE N#Cc1ccc(CC(=O)N2C[C@H](C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1853895543 XNOURRUTGDRYAL-WOJBJXKFSA-N 429.542 1.375 30 10 IDEE C[C@@H](Oc1ccccc1F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857063884 LMOZMQNKKXLVDG-GDBMZVCRSA-N 437.493 1.533 30 10 IDEE C=CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861588455 GBILYOJKBXWNKQ-MSOLQXFVSA-N 429.517 1.388 30 10 IDEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861608773 OEXNLFTWXXTTMB-AZUAARDMSA-N 449.507 1.856 30 10 IDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(O)c1 1862607424 OANFVRMMTGLJGG-JEOXALJRSA-N 427.409 1.828 30 10 IDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3cccs3)cc2)CC1 1870099246 VXVPRVNSXGECKY-UHFFFAOYSA-N 429.531 1.753 30 10 IDEE CCOc1cc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1O 1873528883 IYQLERDHKIDIHK-OZOTYFBYSA-N 426.882 1.807 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N(CCO)CCCC)ncnc21 1873591938 XRVYQBAVNADPLQ-UHFFFAOYSA-N 442.564 1.958 30 10 IDEE Cc1ncc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cc1C#N 2174785843 CVJAXAJVHBMYRZ-RTBURBONSA-N 430.486 1.624 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2213510022 XKFPNSVIPXSUFH-ZJIFWQFVSA-N 443.541 1.303 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2243417981 UWTBOYFUGZSYDM-UHFFFAOYSA-N 446.400 1.991 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248416023 KNLLVTGYFKQLQQ-VXGBXAGGSA-N 436.343 1.667 30 10 IDEE Cn1nc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2255623120 JJRDRQMIBCCARO-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255650522 PYTQASBYOVEYOH-HUUCEWRRSA-N 436.314 1.943 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2255839454 WFTGGMVRGSXGKA-OLZOCXBDSA-N 435.334 1.290 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255878942 HWMVVNHRPCZQFF-QGZVFWFLSA-N 434.342 1.943 30 10 IDEE Cc1ccnc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c1B1OC(C)(C)C(C)(C)O1 2267154488 IVQAPHYPIRBOLX-UHFFFAOYSA-N 437.349 1.666 30 10 IDEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267360940 YNISOWILGUDBGU-ITSYKEIMSA-N 427.806 1.746 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)c(F)c2)OC1(C)C 2282325878 KYDHDGVVRAUZQQ-ZDUSSCGKSA-N 427.303 1.508 30 10 IDEE COc1cc(C=C2Oc3cc(OCC(=O)NCC(=O)O)ccc3C2=O)cc(OC)c1OC 2297462583 UCPPRJILLBXGDE-UHFFFAOYSA-N 443.408 1.908 30 10 IDEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@@H](CC(N)=O)C(=O)O)ccc3C2=O)c1 2297475471 LPPVWOWMDWYMQC-INIZCTEOSA-N 440.408 1.135 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303111973 OHPLQCNTYYGMOT-KBUPBQIOSA-N 426.319 1.022 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2315536731 KWLNGTWSOACNQO-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320553981 CVINSJVYEJTCID-ZIAGYGMSSA-N 438.309 1.738 30 10 IDEE C=CCOC(=O)C1=C(C)N(CN2CCOCC2)C(=O)[C@@]12c1ccccc1-c1oc(N)nc12 20569074 VPXKWDXWWRUKLJ-QHCPKHFHSA-N 436.468 1.658 30 10 IDEE C=CCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)NCc2ccco2)c1=O 21359685 RVKBKNKGBIIEGF-UHFFFAOYSA-N 429.502 1.705 30 10 IDEE C=CCNC(=O)/C(C#N)=c1/s/c(=C/c2ccc(OC(F)F)cc2)c(=O)n1CCCOC 102963248 DTDJUDINGSJEPC-LNWFBJFBSA-N 449.479 1.353 30 10 IDEE Cc1nc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)s1 103112982 JXTAHMSULWLICO-HMNTXPNISA-N 428.514 1.909 30 10 IDEE C=CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 410072013 KKAHSJFGPKGWFW-GFCCVEGCSA-N 437.381 1.965 30 10 IDEE N#CC1CCC(CNS(=O)(=O)CCCS(=O)(=O)NCC2CCC(C#N)CC2)CC1 443224400 ITAPOXNPJLRLBL-UHFFFAOYSA-N 444.623 1.875 30 10 IDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 477055111 DNQFLBWSNBXVSU-UHFFFAOYSA-N 440.525 1.744 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nnc3ccccn23)CC1 479970905 XNZINLHHSIGXGW-HNNXBMFYSA-N 438.513 1.674 30 10 IDEE CN1CCC(N(C)CCN(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505512455 BRFKUUYNUJYPOC-FQEVSTJZSA-N 440.548 1.248 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 508489911 AAAIDFFQPNNIGP-MRXNPFEDSA-N 436.494 1.342 30 10 IDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508746980 MHBMPLITJIGHOH-OAHLLOKOSA-N 438.492 1.680 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 514648483 CSOZSZMZZUBNJF-CQSZACIVSA-N 433.480 1.395 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)ccc1F 517923125 HHENGPFFNBYPME-UHFFFAOYSA-N 443.544 1.418 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 521297439 ITXIDWNUKNALIV-OAHLLOKOSA-N 443.594 1.838 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4snc(C)c4C#N)CC3)nn2)cc1 521704197 KWJXNZTUZKEMGB-UHFFFAOYSA-N 438.517 1.944 30 10 IDEE CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 534648331 SIKZIZGUXIQQCO-QGZVFWFLSA-N 449.504 1.564 30 10 IDEE N#C[C@H]1CSCCN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 537128859 WTHHZPRYNSLJDY-ZDUSSCGKSA-N 446.348 1.270 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccnc3N3CCC(C(N)=O)CC3)CC2)n1 544840708 ZSUVVAYUXRMROP-UHFFFAOYSA-N 448.531 1.082 30 10 IDEE CN1CCN(C[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc2)CC1 545478826 CPYVBMOKSYIYLG-QFIPXVFZSA-N 433.560 1.774 30 10 IDEE N#Cc1ccc(-n2ccc(NC(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)n2)c(Cl)c1 546736736 ILIDJPBYKMFTSN-UHFFFAOYSA-N 448.936 2.475 30 10 IDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 619833812 GIGXQAIOEPHDQI-INIZCTEOSA-N 425.449 1.902 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCN1CCOC 727860186 WHBRMGJVOZSWQI-WMZOPIPTSA-N 436.578 1.511 30 10 IDEE C[C@]1(c2ccccc2Br)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732665924 ARBSGTYTGPZLJL-AUUYWEPGSA-N 432.322 1.846 30 10 IDEE N#C[C@H]1CN(CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)CCN1C1CC1 732666000 DAJANVLRXAYTJD-HNNXBMFYSA-N 432.278 1.374 30 10 IDEE CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732706021 BPLVMYWVQRZJLF-GOSISDBHSA-N 427.505 1.071 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCc3cn(CC(=O)OC(C)(C)C)nn3)cc2C1=O 748911337 FWWDFKGQAYUPSV-UHFFFAOYSA-N 426.429 1.759 30 10 IDEE CC(C)(CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 749387732 LIVPXKINKJQFKA-PMACEKPBSA-N 426.565 1.190 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 755122536 PZLADSCYWGLHLQ-QGZVFWFLSA-N 442.520 1.118 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)CCN1C1CC1 768154846 QWYRFZCNMKVMHV-FQEVSTJZSA-N 447.543 1.733 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1)[C@H]1CCS(=O)(=O)C1 774051723 FGLUXEDJTUREGQ-YOEHRIQHSA-N 435.502 1.022 30 10 IDEE C#CCN(C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 774055723 ZHECFCCVJUAJNN-AWEZNQCLSA-N 448.950 1.418 30 10 IDEE C[C@H](C(=O)OCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)n1cnc(C#N)n1 798746394 SERHFCCSDWMKPA-QGZVFWFLSA-N 432.484 1.752 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCc2cccnc2C#N)c1 813166121 IFKXLOJSTIFPKZ-UHFFFAOYSA-N 430.486 1.457 30 10 IDEE CCOc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)c1 813565108 SKXHVLDBXHDOOY-WMLDXEAASA-N 449.577 1.219 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)cc1OC 1084439926 XYJDMAYOKLLNLO-UHFFFAOYSA-N 434.507 1.642 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ccsc3C#N)CC2)C1=O 1130929321 MVTFHEJCWPKGKX-OAQYLSRUSA-N 441.488 1.875 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N3CCOCC3)c1)C2 1132643236 FEZGZLKPMCGHGA-GOSISDBHSA-N 429.473 1.615 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 1138075346 LTNMDEPWNALCEL-NRFANRHFSA-N 425.466 1.596 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1cc[nH]n1 1141532006 UANSZNLKVQPAPK-UHFFFAOYSA-N 443.460 1.333 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)[C@@H](C#N)C1 1149176032 FZRNORZVNZANFF-DLBZAZTESA-N 432.477 1.245 30 10 IDEE Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1156787798 ZRMCIXROLPUKKH-MRXNPFEDSA-N 436.534 1.878 30 10 IDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1)C(C)C 1220600916 YANOUCQFRQBUGF-GOSISDBHSA-N 428.585 1.861 30 10 IDEE C#CCN(C(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1)C1CCN(C)CC1 1221186684 GXKDISVHYAQQLJ-OAQYLSRUSA-N 442.560 1.600 30 10 IDEE N#Cc1cn(CCNC(=O)NCCc2cccc(OCc3ccccc3)c2)c(=O)nc1O 1230450937 DMTRTAIELVJUPH-UHFFFAOYSA-N 433.468 1.941 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286290099 OFIRBNAYUQTELA-GJZGRUSLSA-N 431.518 1.413 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286357796 OGUDIDNJJXSHAI-KRWDZBQOSA-N 447.561 1.749 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1286398119 TXJGXUGKVRDMPA-QFIPXVFZSA-N 441.919 1.740 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286415093 IDKKLMRCIFENTQ-GOSISDBHSA-N 440.548 1.873 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@](C)=O)CCC2)CC1 1286473247 JITMIPHGXOHEHQ-HKBQPEDESA-N 442.545 1.910 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C(N)=O)CCCC2)CC1 1286485700 VGYOTMVFGMYPRM-RTBURBONSA-N 442.608 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCC(C)(C)C2)CC1 1286492789 JAGUUWWWBIZWBT-FQEVSTJZSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)C(=O)C1 1286499038 CYOVBORVWXNART-UHFFFAOYSA-N 429.546 1.615 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCC2)CC1 1286646622 TZDZTYBPYFBCEY-KRWDZBQOSA-N 439.582 1.463 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286709650 AMMYUBRPVPYZDB-INIZCTEOSA-N 447.609 1.825 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1286819369 IGRUDGHOKLCVPA-KDURUIRLSA-N 445.545 1.877 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1288506338 GNKDDUMTGGPLCN-LSDHHAIUSA-N 447.521 1.873 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1300479150 JHARTTCKJFGNEH-FKBYEOEOSA-N 439.560 1.973 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300488507 RVBQNNUKJSDCEQ-QZTJIDSGSA-N 447.561 1.343 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300502043 PSOHSWDLTKKHAW-QGZVFWFLSA-N 449.602 1.426 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1300650299 SKRTZNGZKZCGIN-QGZVFWFLSA-N 440.504 1.555 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNC(C)=O)CC1 1300685428 NMYKYWKUOUZLGC-UHFFFAOYSA-N 448.369 1.328 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc(C)c2)CC1 1300722995 OOGNPWQCIKSDEM-QGZVFWFLSA-N 426.546 1.613 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(C)(C)C 1301485336 UXKVYLMCCJILLT-UHFFFAOYSA-N 448.593 1.980 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)Cc2ccccc2)C1 1301553912 ABIBMQBNTADBOJ-MOPGFXCFSA-N 438.532 1.669 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(=O)NCC)cc2)C1 1301554475 HNAWRMBHQHGWKT-RBUKOAKNSA-N 438.532 1.809 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(C)c2)C1 1301554965 QLWDRPAOSZBEKB-MOPGFXCFSA-N 438.532 1.749 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1301577506 KIBKGDWIVMSCIR-OXQOHEQNSA-N 435.550 1.269 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1302025886 TZTDUJMLWGREAH-HOTGVXAUSA-N 428.493 1.716 30 10 IDEE CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1302368876 GSGMKJOKWKXXTN-ZWKOTPCHSA-N 445.545 1.401 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCCCCCO)cc1 1302995113 VNPWKSJLDQJQAX-HSZRJFAPSA-N 438.532 1.998 30 10 IDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(O)CCOCC2)CC1 1303001574 DNTASWRJCDAFHJ-UHFFFAOYSA-N 444.561 1.941 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)N(C)C 1303737804 QIKHMYFSUDSNRD-AOMKIAJQSA-N 439.520 1.710 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)N(C)C 1303737807 QIKHMYFSUDSNRD-ZHRRBRCNSA-N 439.520 1.710 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1304843777 ZJYAHFLPJGSADE-VBQJREDUSA-N 434.880 1.130 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1307053659 JDJPDYJDDWEWEK-GVDBMIGSSA-N 425.603 1.891 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1313351068 VTOGYFCJRXRQIY-UHFFFAOYSA-N 433.515 1.433 30 10 IDEE COc1cccc(O[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1315584387 IDLXPMLHEHHFOL-LPHOPBHVSA-N 440.504 1.719 30 10 IDEE COC1(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CS(=O)(=O)C1 1354941635 BXJAADUWIKCYJB-SILNSSARSA-N 443.547 1.032 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2COCCO2)c1 1358903559 BFWVSAMKNZIMAH-RTBURBONSA-N 425.489 1.601 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959451 JESSUYYWLOTGRP-KNQAVFIVSA-N 439.541 1.604 30 10 IDEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359026277 QOPCJRUQGRVCJX-RBUKOAKNSA-N 435.594 1.521 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1359480670 ATKNKBLQMNJODQ-KBPBESRZSA-N 428.522 1.251 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N1CCOCC1 1359533049 LZQJDHYFMXDDMA-UHFFFAOYSA-N 439.520 1.260 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)cc1 1435272127 QXAHSTPDDDVHKO-IBGZPJMESA-N 440.525 1.913 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1C(=O)OC 1440081472 SCBHLVMQSDVHLP-QLFBSQMISA-N 425.482 1.384 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)nnc1-c1ccco1 1452142135 BIMICXWUGWIXII-OAHLLOKOSA-N 432.550 1.785 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc([C@H](CC)c3ccccc3)s2)CC1 1465245452 FFNSVZBRLKTISS-MRXNPFEDSA-N 448.574 1.697 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1472093105 RHIQXJSEQPIMSM-OAQYLSRUSA-N 436.530 1.585 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCN(CC(F)F)C3)nnc12 1472580128 UAGMMRAODPYNLI-ZDUSSCGKSA-N 448.499 1.778 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1472618757 GXOAKVYYJAMZCH-UHFFFAOYSA-N 433.461 1.526 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1507518273 UANDUMYJRUBWAB-NEPJUHHUSA-N 441.355 1.552 30 10 IDEE C#CCCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507600229 XGPLDANZIDTLRD-HXUWFJFHSA-N 439.582 1.204 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CCC)C(=O)OC(C)(C)C 1507617576 WIGVYMCSRFMYDI-MRXNPFEDSA-N 439.582 1.897 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1507651934 VCQNRIITNZEHSU-QURGRASLSA-N 432.459 1.607 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507842663 KIADFJWZJHCALZ-UHFFFAOYSA-N 436.520 1.686 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1507843697 QZDZAYZVUZREDU-QFIPXVFZSA-N 437.504 1.888 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1507935644 SVTWAJSSGOGEKK-ARFHVFGLSA-N 432.612 1.794 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508137543 NKXCZPOUXSRAND-IEBWSBKVSA-N 448.593 1.041 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC 1508139800 JLAQIERKMUOAAI-UHFFFAOYSA-N 430.534 1.732 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccco1 1508144321 CSVUEKRPFPRLOC-CQSZACIVSA-N 428.536 1.010 30 10 IDEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1515130682 KMUMLIGAIKYGAS-ZBFHGGJFSA-N 444.488 1.858 30 10 IDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1516157743 ZKBIKKJIJSIVKT-FDDCHVKYSA-N 427.501 1.896 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)C1=O 1517401006 DBIWJAUGHCSQDR-SJKOYZFVSA-N 434.298 1.243 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1519048522 FKYZBBDFXSPSOV-RBUKOAKNSA-N 440.504 1.899 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nn(CC(F)(F)F)cc2Br)C1=O 1525786017 AVIWRLDQNAYTOU-UHFFFAOYSA-N 438.160 1.123 30 10 IDEE N#CCCn1ccc(NC(=O)c2ccc(I)cc2-n2cnnn2)n1 1532191116 BTEALECODCDBDR-UHFFFAOYSA-N 434.201 1.629 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)C2=O)cc1 1536971245 DLXTYTODBYUMAF-NRFANRHFSA-N 432.480 1.956 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539217039 ZWRYLSNVQJYAAT-SFHVURJKSA-N 446.577 1.655 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1539220938 XFZZXXXDVUXTLR-HOTGVXAUSA-N 435.594 1.408 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539225627 PSTSSRADUVIGOZ-MJGOQNOKSA-N 429.546 1.317 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1539265704 JPKWMRJHBRHRRX-LJQANCHMSA-N 425.558 1.676 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CCOC2)CC1 1539434663 RYHLAAWYTZLIFX-FQEVSTJZSA-N 446.349 1.614 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCCC2)CC1 1539461739 JXZANJLXVIYNOP-UHFFFAOYSA-N 425.533 1.926 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)C1 1539647446 XFBXYEGAJMWDGI-RDTXWAMCSA-N 430.534 1.187 30 10 IDEE COC(=O)C[C@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 1540238949 WAYIHNJIZIZMKR-FQEVSTJZSA-N 430.486 1.482 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C(N)=O)C1 1540867394 UZURSHOTPMSDGA-LBPRGKRZSA-N 433.310 1.321 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1541249921 AKHDXQOYTDSCGK-UHFFFAOYSA-N 438.532 1.995 30 10 IDEE COC[C@H](F)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555263120 QBMPTFBNIZOUMW-ZBFHGGJFSA-N 428.472 1.086 30 10 IDEE COC(=O)[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1560175213 JKRSCORAHNZIAI-QGZVFWFLSA-N 428.489 1.839 30 10 IDEE C[C@H](CC(=O)N1CCC(O)(Cc2ccncc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1568454439 FCUBSUIDZWXNQP-MRXNPFEDSA-N 442.541 1.495 30 10 IDEE Cn1cc(CN2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)cn1 1585000050 LUYNPBMRTFTKSF-FVRICEFQSA-N 442.564 1.851 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587904346 DVEPIMGZTOWFFE-MRXNPFEDSA-N 446.519 1.496 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588074363 MEKOUIGGBOZIEU-OKYOBFRVSA-N 436.578 1.817 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1588228765 LVHLEWWRMWYMKP-LJQANCHMSA-N 431.606 1.765 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC#C)CCOC 1589053011 CRGMSNRGLJMMJF-UHFFFAOYSA-N 436.541 1.644 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CC1 1594096932 KFTPZOQGBJWSMY-IBGZPJMESA-N 443.573 1.696 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1595506977 SDCNPEFRUIXSFB-HNNXBMFYSA-N 437.508 1.227 30 10 IDEE Cc1cc(O)nc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n1 1596355927 XULGJZJMVZVNIX-UHFFFAOYSA-N 429.502 1.531 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1597732945 GGCLDLJJXXKSEG-RADWXHQJSA-N 448.543 1.888 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1598080421 NKAZLJZGOPGOEG-MRXNPFEDSA-N 430.484 1.887 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1612402585 HTOFBUXJQHKWLY-SCLBCKFNSA-N 432.485 1.064 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613242550 XLYFESILXDVGHO-JTDSAVPOSA-N 441.536 1.519 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1613897725 FNDXGILEVWEVOE-HSZRJFAPSA-N 448.531 1.871 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1614174471 PALHTOJGAZLBAB-ZJYNUGOYSA-N 443.552 1.959 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC(C)C)CCOC1 1616253210 LSMIWISAYDFHEF-SIKLNZKXSA-N 432.569 1.922 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c1 1627386299 ZVRNLESDOJWDAI-LLVKDONJSA-N 435.399 1.796 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1641722857 FEEWDICNHLHAKJ-WKILWMFISA-N 436.534 1.789 30 10 IDEE O=C(CN1C(=O)COc2ccc(Cl)cc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854285 DELYFWCJERJMPA-UHFFFAOYSA-N 443.843 1.970 30 10 IDEE N#Cc1ccccc1OC[C@@H](O)CN1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1643086312 FMWLNBWGUNRBPX-SCTDSRPQSA-N 441.450 1.846 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)c1 1654854690 FKWWASSBHUPXIW-UHFFFAOYSA-N 430.417 1.275 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1655158292 WPYBWSLIESOELF-AABGKKOBSA-N 438.546 1.925 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)CC1 1658762323 HNEMEOPMSHCVIC-UHFFFAOYSA-N 441.513 1.556 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)CC1 1669171386 CBNUWKKEJLMIFL-INIZCTEOSA-N 433.534 1.113 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CCO2 1671495846 XXKNBYQNSXJLHA-IMAQQZIHSA-N 438.525 1.747 30 10 IDEE CC(=O)N1C[C@H]2CN(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)C[C@H]2C1 1673623222 NPZNGAUCMLVASH-YIVFIKFXSA-N 433.534 1.441 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CC)Oc2cccc(Cl)c2)CC1 1679947009 QHFSUXLASOMLPW-INIZCTEOSA-N 428.942 1.292 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCc3nnc(N4CCCC4)cc3C2)C1 1681432988 AUUSGCRKTYFTPG-AEFFLSMTSA-N 441.536 1.904 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)cc1 1683502414 MHOGHOZISYJFPX-ROUUACIJSA-N 425.938 1.850 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccn(CC)c1=O 1689847675 FOSQBDOTAPQLMW-MRXNPFEDSA-N 443.511 1.880 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1689980116 LWMJALXTQZHJPN-HNNXBMFYSA-N 434.566 1.381 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1690034428 HYAFEBSKJHQRGY-QFIPXVFZSA-N 431.606 1.830 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1nnc2n1CCC2 1690055200 POJNIQMXJPPLKS-UHFFFAOYSA-N 431.500 1.915 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nncn2C)CC1 1690112464 YLAWIIMRZLYUTQ-IBGZPJMESA-N 434.548 1.967 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690128717 INKWEOJNEDKKRD-YTTGMZPUSA-N 448.596 1.946 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1690689298 BAPOISRQEBWQKS-GOSISDBHSA-N 430.534 1.537 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1690693594 DPQLGARNPUDMQS-MRXNPFEDSA-N 435.525 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](COC)C1 1690725420 PINCNCOXZUYKEN-LJQANCHMSA-N 434.562 1.630 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690729065 FVTGHQZWLRYKBJ-OAQYLSRUSA-N 447.561 1.468 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1692567161 SFIJOIUVGGSHNS-GOSISDBHSA-N 438.536 1.290 30 10 IDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1693389683 BFYRABDCXBJVTE-JOCHJYFZSA-N 434.504 1.636 30 10 IDEE CCOCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696428865 KGIHGNXWNPPLLI-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1696762791 CFOZKNBSHXKJFI-IEBWSBKVSA-N 444.561 1.713 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1705569404 CKCGHCXWJUHVIO-OKZBNKHCSA-N 438.594 1.545 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705569648 IYZLGMLMOZOUHD-UYAOXDASSA-N 444.605 1.621 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)CC 1705606465 SZXOXCPQFAPYBI-UHFFFAOYSA-N 443.371 1.445 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1705614642 PJPLYNQKKAVYHX-QGZVFWFLSA-N 448.568 1.818 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cccc(Cl)c2n1C 1705628056 WQNBHTHGHZDSFN-MRXNPFEDSA-N 441.923 1.904 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCCCO 1705700784 YNNZTRGBLODVAG-KURKYZTESA-N 426.583 1.760 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1706200300 WYOHJWKBQBYCPO-QFIPXVFZSA-N 440.504 1.921 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708288820 DRPSHHNEZFOQGU-JTDSAVPOSA-N 443.552 1.813 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1709013541 IADLGJANTMONRX-HNNXBMFYSA-N 448.531 1.836 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712884737 RGUZSXMQZZIZNF-RDJZCZTQSA-N 433.463 1.425 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 1722332040 CHQNHHSFJIQPJX-IBGZPJMESA-N 449.552 1.842 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1722697448 JXBDHMOUALSNOF-IAGOWNOFSA-N 440.552 1.559 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722697625 NJGDNWRKRNDLAV-UHFFFAOYSA-N 436.520 1.569 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722698124 UWZCBVNTEBNEBW-UHFFFAOYSA-N 433.520 1.376 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1729350709 AAGBIHNMIGKFGH-PXNSSMCTSA-N 431.518 1.246 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1730845806 XFCSJPGRIQNWBO-BTYIYWSLSA-N 430.484 1.786 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(CCCO)CC1 1731217504 GCRBKHZUERURCG-DPPKGPFUSA-N 444.536 1.297 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1740553491 STQVRBWPQGBLNN-WMZOPIPTSA-N 429.546 1.297 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCCC 1740560977 UKCQBPRDRFKZHF-HXUWFJFHSA-N 437.592 1.627 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC(C)C 1740610665 IJXGXWQNOMVVGB-INIZCTEOSA-N 429.612 1.460 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)C(=O)NCC2 1740688913 WUOIMGCBJAPWAQ-UHFFFAOYSA-N 447.543 1.560 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740736940 UPFPIBHOLQKRKX-GOSISDBHSA-N 439.358 1.964 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740744933 IIRFFBWONQYYJA-OLZOCXBDSA-N 439.314 1.163 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1740793505 UCNKKKDHJIQNSI-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1741739559 GWMVMNJAHSNIEW-UHFFFAOYSA-N 432.550 1.760 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CCO1 1748205859 AHVOVXMXJBBNCW-ICSRJNTNSA-N 449.515 1.664 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1748275806 IWIPGEPQIMHNMZ-KURKYZTESA-N 442.545 1.060 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)cs2)C[C@H]1O 1748333251 PFZWMXCOKIWOPI-IAGOWNOFSA-N 438.513 1.990 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1748725188 VLBRCTHHWYOUCO-UHFFFAOYSA-N 425.537 1.823 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748815350 PHXOZWROCMFIFE-NEYJZJCJSA-N 436.578 1.350 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccn(C)n1 1748882015 JKLLRPDARUDQKV-UHFFFAOYSA-N 436.541 1.788 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cc(CO)nn1 1749471013 GOYOTYDQYSRZKA-UHFFFAOYSA-N 431.522 1.145 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCc2ccccc21 1751231813 GZHPRXVBWASCAM-SZMVWBNQSA-N 444.561 1.737 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760138350 WTZCZPSEZVDPGC-RTBURBONSA-N 447.605 1.726 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1760147115 HQNGDBMDNQAYNR-ROUUACIJSA-N 429.546 1.976 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760185077 OWHXCVPEVQCGLR-LJQANCHMSA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1760189913 RMNIRAIRABJUIJ-QGZVFWFLSA-N 430.530 1.848 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ncnn1-c1ccccc1 1760250395 HTEPIXWRNFDYFJ-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760518178 LKLCNFDICNXBMD-OAHLLOKOSA-N 445.955 1.989 30 10 IDEE CC(C)(O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760818430 PKNSHVIRVIRVDH-OWCLPIDISA-N 434.541 1.939 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1760836384 TYQIYDHWQINSRY-IBGZPJMESA-N 448.535 1.635 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1761544521 GACBQJJZEJNDQA-FBBFKJPPSA-N 446.515 1.920 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1768976517 IQQFSNWCAVQGNC-UHFFFAOYSA-N 433.465 1.990 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1769135482 CKMGODPJPKHJOT-UHFFFAOYSA-N 434.504 1.399 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1770144592 CIBCECBSGPOZEQ-ROUUACIJSA-N 427.461 1.984 30 10 IDEE CSC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1770396399 HTHAOZAWSAOVPS-SUMWQHHRSA-N 446.574 1.195 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(F)(F)F)C2)o1 1770740524 RRDRNJFLEOEAAQ-FZMZJTMJSA-N 445.423 1.461 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)CCN2C(=O)c3cccnc3C2=O)C[C@H]1c1ccccc1Cl 1849100485 GSJIOCOWSNKPSG-XJKSGUPXSA-N 444.900 1.900 30 10 IDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)cc1 1854645264 PLSALYFKEVNPCJ-OAHLLOKOSA-N 427.482 1.558 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(F)c(F)c3F)C(=O)O2)CC1 1856652715 CYTYDDMNSATOGH-ZDUSSCGKSA-N 431.392 1.630 30 10 IDEE COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)c(OC)c1 1870103454 ZPWCOOIXAXZGGA-UHFFFAOYSA-N 445.439 1.564 30 10 IDEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN1CCN(CCO)CC1 1870573216 MFSQEULZPRGLPS-UHFFFAOYSA-N 433.549 1.399 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN1CCN(C)CC1 1870747760 NZZRYVWMQVALBY-UHFFFAOYSA-N 426.517 1.808 30 10 IDEE CN(C)CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 1889753860 LZKAHIMYUYAKNP-QGZVFWFLSA-N 442.379 1.674 30 10 IDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCN2CCOCC2)c1C 1889801275 XDXMGVQLKMZYMM-NRFANRHFSA-N 447.601 1.525 30 10 IDEE N#CC1CCN(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1891325569 JGFNOYGALDSAFO-LJQANCHMSA-N 449.533 1.490 30 10 IDEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(c3cccc(C#N)c3)CC2)c1OC 1891364172 MDCYXSDEBKKIPR-UHFFFAOYSA-N 430.486 1.185 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1910948416 CLDWEHUWTLQGBR-OWCLPIDISA-N 438.525 1.576 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625823 ORXAGNMABPTPSH-ZIAGYGMSSA-N 434.302 1.254 30 10 IDEE C=C(CS(=O)(=O)NN1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 2243417221 RHZSXYUEJVTJNW-UHFFFAOYSA-N 431.364 1.561 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247816310 BIJCCXBHYBMSBW-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2255649423 TZQRBJMDCLPEJW-HXUWFJFHSA-N 440.346 1.727 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255654183 SVDWRMCSNBXXAQ-KGLIPLIRSA-N 434.346 1.610 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2255785005 ROZQAQCHHYHOKN-CYBMUJFWSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267290304 BCEVXTHGTZLNFY-JYJNAYRXSA-N 448.325 1.943 30 10 IDEE C[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[S@](C)=O 2267353677 MJTHBDQDJOVIBC-VHMAXNEBSA-N 427.806 1.746 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1C 2337398308 OAEQMKITNVVCMB-KBPBESRZSA-N 446.357 1.623 30 10 IDEE COc1cccc(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)c1O 59879493 RSPMAAAAPNESRK-IFRROFPPSA-N 446.493 1.880 30 10 IDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C(=O)C1=O 64835480 OGBZDQPRTALMAW-UHFFFAOYSA-N 429.901 1.489 30 10 IDEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)cc1 253564790 GXZCDQODPGUIAE-KGENOOAVSA-N 430.582 1.963 30 10 IDEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 431618516 DGDKEAJPACEGKP-UHFFFAOYSA-N 441.580 1.412 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)c1 442735452 GPTONOWJMASTQT-UHFFFAOYSA-N 432.546 1.887 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C[C@H]1CCCO1 445592802 RXMRVMJALIPGAX-OAHLLOKOSA-N 447.919 1.663 30 10 IDEE COC(=O)c1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc(S(C)(=O)=O)c1 468175712 XUOJNPHZDNQBGG-UHFFFAOYSA-N 443.485 1.497 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n(-c2ccccc2C)n1 472903741 YDVQXCVHUZXTKK-UHFFFAOYSA-N 446.515 1.690 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccc(C)c(C)c2)CC1 506275122 YLAINNIJYZMSCP-UHFFFAOYSA-N 428.562 1.423 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1(C#N)CCCCC1 515698800 VUJXEWMPLFMWIO-UHFFFAOYSA-N 434.562 1.978 30 10 IDEE CCS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 536468597 XEOXDWSLIOGQFZ-UHFFFAOYSA-N 447.538 1.499 30 10 IDEE CCOC(=O)c1cn(C)nc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 544060227 WODWCMVWWXZUHP-UHFFFAOYSA-N 445.501 1.508 30 10 IDEE N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 549990304 SJSUQLASUIEUAY-UHFFFAOYSA-N 444.488 1.878 30 10 IDEE COc1cc(CNC(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)ccc1C#N 558614569 PMQDJSARLSVUTE-HDICACEKSA-N 427.549 1.899 30 10 IDEE CC(C)c1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@@H]1CCOC1 559200442 NOYBHFHDUQSLGX-KRWDZBQOSA-N 444.561 1.821 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 579895803 OYEVUOUNAMPDBF-CVEARBPZSA-N 438.579 1.903 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 583643777 XTNWWAJSNOHCGD-INIZCTEOSA-N 425.580 1.928 30 10 IDEE CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609256767 HREQOQHYTYMROM-UHFFFAOYSA-N 432.477 1.981 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 669808699 XKCCUMOTIGXUFZ-SQNIBIBYSA-N 439.582 1.440 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730136807 AZKNYDHZLLSSAP-INIZCTEOSA-N 439.969 1.476 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CCN1C1CC1 732706070 DJKAFXYSLVAYFA-OAQYLSRUSA-N 449.486 1.893 30 10 IDEE COc1ccc(CCC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742398248 ZNJFHAOJFIAFBV-UHFFFAOYSA-N 428.514 1.496 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 774261736 DFMXCDVQZUHVGB-BBRMVZONSA-N 427.885 1.416 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 780178236 CSDRGIDOQYFPDQ-NRFANRHFSA-N 433.461 1.369 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)n1 788695481 PKTUWOYMZIFTCE-UHFFFAOYSA-N 431.514 1.558 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)CCN1C1CC1 802222163 YLNZGXLKTHZNJC-IEBWSBKVSA-N 426.546 1.405 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)CCN1C1CC1 802222165 YLNZGXLKTHZNJC-PKOBYXMFSA-N 426.546 1.405 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)CC1 809910443 SIWRGBBNRJCNLJ-KRWDZBQOSA-N 436.557 1.541 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 816692123 HBBVLZBZCIZKFN-AWEZNQCLSA-N 435.424 1.212 30 10 IDEE CN(C)C(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 916716824 ZZUWWDORUSUTJB-PYCFMQQDSA-N 435.550 1.832 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 1125294409 RXYXFSKQMXFJQL-GAJHUEQPSA-N 427.501 1.996 30 10 IDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OC 1132422422 SOWXXMPUSBWYLU-LIRRHRJNSA-N 425.844 1.870 30 10 IDEE COC(=O)[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1C(=O)OC 1134900844 OSWBDTIGCPBOJK-STQMWFEESA-N 425.235 1.120 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1139239294 LVFMZUZTXWEXID-INIZCTEOSA-N 432.525 1.709 30 10 IDEE C#CCn1cc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cn1 1156662056 UWAWKJVZUDRJMA-KRWDZBQOSA-N 436.921 1.019 30 10 IDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1168179339 DVIPXJJSEJBQNF-AEFFLSMTSA-N 425.489 1.526 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1168641715 CYDVHPMVAVMXFV-UHFFFAOYSA-N 442.497 1.336 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1197319806 GPILPRBKHXZGTM-KGLIPLIRSA-N 446.323 1.579 30 10 IDEE C=C(C)CN1CCC(NC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1221800185 LSVVRBKCNAEXEU-UHFFFAOYSA-N 439.538 1.555 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1286279526 VYINUBGCOIVIIP-STQMWFEESA-N 427.477 1.703 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCN1CCCS1(=O)=O 1286403137 KDDZDLOAUAUIQI-UHFFFAOYSA-N 434.525 1.602 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCN(C)C1 1286438295 WWJJKDJSAACPRY-OAQYLSRUSA-N 445.593 1.073 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOC)CC2)CC1 1286485171 DPRRXKULDRUGML-UHFFFAOYSA-N 442.564 1.297 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286551386 HNJUDYDQGCLYIU-MHORFTMASA-N 435.525 1.624 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1286746241 SPIKNFLRFQKMHS-QGZVFWFLSA-N 438.575 1.417 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286780372 DZAYPBWZABOWFQ-GOSISDBHSA-N 431.585 1.227 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCOCC2)C1 1286811728 FDTAMJGAZRLLSV-LJQANCHMSA-N 443.552 1.170 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286821339 HWIPSFWGDSFCOF-SFHVURJKSA-N 436.582 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C)C(=O)C1 1286823336 UQLIXKYMQPIWND-UHFFFAOYSA-N 442.545 1.160 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H](C)N(C)C)CCOC1 1288320329 OGGYPJDDTSDRLG-SFGWALBWSA-N 431.585 1.445 30 10 IDEE CN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 1289437574 ZHTDDAXFUBRYRW-CKFGLLJZSA-N 439.896 1.395 30 10 IDEE C#CCN(C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)[C@@H]1CCS(=O)(=O)C1 1291930264 YRCNTYCBDIUVCZ-MRXNPFEDSA-N 446.529 1.622 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300491914 JOVRVIXBICVMGK-KKSFZXQISA-N 444.561 1.303 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCNS(=O)(=O)CC)CC1 1300692924 OWKILXQEROHUCY-UHFFFAOYSA-N 434.541 1.169 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1301297280 ONHROTBMUYUBPM-QGZVFWFLSA-N 440.614 1.355 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1301497066 NABUALMEPGWFAK-SSEXGKCCSA-N 425.518 1.411 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1301967379 CHFRNBQWNULVLX-AEFFLSMTSA-N 426.525 1.463 30 10 IDEE Cn1c(=O)[nH]c(Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c(C#N)c1=O 1307098148 JYPUKSQXHBHUSD-UHFFFAOYSA-N 431.408 1.364 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 1312450960 OQPIMRMAMKJPQR-FQEVSTJZSA-N 428.514 1.973 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C)C1 1314539987 AQUFRWWYIWYIPX-INIZCTEOSA-N 432.550 1.713 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3C)n(C[C@H]3CCCO3)c2=O)cn1 1318430448 MTLULBIZZWOXFG-GOSISDBHSA-N 448.548 2.000 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1358956936 MULGLMWVGVZXFI-RXVVDRJESA-N 436.578 1.746 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOCC1 1358992644 RMFMLQSCSCHLPM-UHFFFAOYSA-N 445.527 1.779 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2SC)CC1 1359035356 RNAIEKBTYREIQK-KRWDZBQOSA-N 428.537 1.894 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1359090099 UQKKNBQOKGJYJM-QRVBRYPASA-N 432.569 1.750 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2CC(=O)N2CCOCC2)CCOC1 1360331180 RLDSHLJDVVQEJQ-JOCHJYFZSA-N 446.552 1.308 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCN(c4nc(C)cc(O)n4)C3)ccc2c1=O 1455763997 YABXNZPFUWSGEG-CQSZACIVSA-N 438.513 1.684 30 10 IDEE CN1C[C@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)N(C(=O)OC(C)(C)C)CC1=O 1463091608 CTOKESZUFCLGEX-MSOLQXFVSA-N 428.489 1.536 30 10 IDEE C=CCNc1ncc(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)s1 1464902321 QNIFKXOMHZMCSZ-OAHLLOKOSA-N 428.580 1.093 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1464928423 XSWUGMJARZVNMN-GFFMQJMKSA-N 438.484 1.678 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN([C@@H]4CCN(C)C4=O)CC3)n[nH]2)c1C 1467863479 KWSAHZYCNNLYOX-LJQANCHMSA-N 425.537 1.501 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cnc2c(Cl)cnn2c1 1468530975 MZNABZIRCZUZJE-UHFFFAOYSA-N 446.920 1.560 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC2 1470150368 QQIZWGHYLIDDHD-UHFFFAOYSA-N 430.457 1.984 30 10 IDEE CN1CCN([C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c2cccs2)CC1 1477472264 HHTRBXBUKBPHOJ-FQEVSTJZSA-N 439.589 1.835 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)NCC4(C#N)CCC4)C3)[C@@H]2C1 1478842228 WMNJGCWDNFXYAH-XHSDSOJGSA-N 433.509 1.904 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCOC1 1504977343 ZFJPSUZDIBNOKL-CABCVRRESA-N 428.493 1.574 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1505151661 FIDUIYSHCKCSFB-UHFFFAOYSA-N 438.941 1.800 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1507518280 UANDUMYJRUBWAB-NWDGAFQWSA-N 441.355 1.552 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCS(=O)(=O)CC1 1507602324 ACEVMOUBJSUSHB-UHFFFAOYSA-N 440.529 1.344 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)NC2CCCCC2)CC1 1507715923 KAEMZAPJAOYBRN-UHFFFAOYSA-N 443.596 1.401 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc([C@@H](C)O)cc2)CC1 1507720591 UXEBBSHBGDDKMG-MOPGFXCFSA-N 427.549 1.859 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)[C@@H](C)CC)CC1 1507736374 JSHPVFUURMMQSS-SFHVURJKSA-N 425.581 1.980 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)F)CC1 1507962625 VAYVNFCFBAVWGM-UHFFFAOYSA-N 438.479 1.986 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCc2ccccc2)CC1 1508079638 BBYDGTYMZHKICH-UHFFFAOYSA-N 434.548 1.346 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1508090264 FUOJSLXNVAGADX-KRWDZBQOSA-N 426.521 1.443 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC(=O)N(C)C)CCOC1 1516141797 HVRZOYLDBAJYIQ-JOCHJYFZSA-N 426.521 1.917 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1519375223 PHOWPCIPGDFPQN-SIKLNZKXSA-N 426.521 1.125 30 10 IDEE C[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1527484832 JXNGADAIGZOOFV-WBVHZDCISA-N 443.504 1.401 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC[S@](=O)CC(F)(F)F)C2=O)cc1 1532250412 CXGJIPWNEOAQAX-MUWSIPGASA-N 430.408 1.190 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)NC(C)C)c1 1539043607 RXFMIOUKPDDCSJ-SFHVURJKSA-N 438.532 1.753 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1539180066 VZYUITHJJINQMM-SFHVURJKSA-N 429.546 1.135 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1539342899 BLERGPYLJDJFGN-OAHLLOKOSA-N 436.607 1.468 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539758191 JAUNKBBXMUOWPJ-NRFANRHFSA-N 444.561 1.721 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCN(C)C1 1540191727 QNTZSSZTHKXVMN-SFHVURJKSA-N 439.358 1.741 30 10 IDEE CP(C)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1543121059 FWVGPNCXSIMVNV-UHFFFAOYSA-N 431.454 1.953 30 10 IDEE CN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@](C)(C#N)C1 1552730804 AVTBEFSZMYVNET-JOCHJYFZSA-N 437.552 1.670 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccccc2-n2ncc(C#N)c2N)CC1 1556535007 GLSUDIFHWRAUJR-UHFFFAOYSA-N 425.493 1.817 30 10 IDEE C=CCC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 1556642244 GCNPOPCKXMWZAY-AWEZNQCLSA-N 433.324 1.742 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)cc1 1558267927 VDZBLVFIHHOTJE-KRWDZBQOSA-N 441.509 1.447 30 10 IDEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1558511617 LHEGOQUDAFOGHE-UWJYYQICSA-N 433.530 1.764 30 10 IDEE CN(CCOCCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(=O)OC(C)(C)C 1565096030 VJWPFAQIQVKZOX-QGZVFWFLSA-N 433.509 1.999 30 10 IDEE Cn1c(S)nnc1CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1569670795 YTUCUDMYBWEPGB-UHFFFAOYSA-N 435.351 1.923 30 10 IDEE CCN(Cc1c(CO)cnc(C)c1O)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1570321886 HEAFUSGGHHGTFH-UHFFFAOYSA-N 446.529 1.455 30 10 IDEE COc1ccc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)cc1S(=O)(=O)N1CCCC1 1584357190 BQHDAHFSJCQQLJ-UHFFFAOYSA-N 440.481 1.950 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2nc(C#N)cs2)c1 1585407323 IVGZIZKFWPRWNS-UHFFFAOYSA-N 435.531 1.032 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](Cc3cccc(OC)c3)C2)cc1 1586364110 MEHPOZPSCBIRJG-IBGZPJMESA-N 427.526 1.263 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C)c(C)s2)CC1 1588811424 IWSCIIBWOLDFHO-MRXNPFEDSA-N 434.591 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2COCCO2)CC1 1588907752 FQEPESHHVJWLDR-QGZVFWFLSA-N 444.923 1.375 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1589394454 GDBGTPJKUUMBIH-DCGLDWPTSA-N 426.315 1.522 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CCOC)CC1 1594096854 JMDFWXWGJLFKHC-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)NC(C)C)CC1 1594429770 AWHHOXMQDHPMSR-UHFFFAOYSA-N 435.598 1.870 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1594454947 JZIGTCBKJZOKQC-AWEZNQCLSA-N 440.570 1.569 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1594855341 BERBVJWSIBFPNK-KGLIPLIRSA-N 430.575 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCOC2(CCOCC2)C1 1595797517 HXOXDXOMVKYJNL-KRWDZBQOSA-N 440.566 1.506 30 10 IDEE Cn1cc(-c2nnc(N3CCC(F)(F)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1618391070 NOCQDEWBQUCASB-BMRADRMJSA-N 432.435 1.441 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1620083492 ZOTCLFRFKUZKIN-XIRDDKMYSA-N 425.555 1.565 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1 1620532718 SKQOWKAJIUVYRL-VWLOTQADSA-N 446.507 1.820 30 10 IDEE CCOc1ccc(NC(=O)c2cccc(C#CCO)c2)cc1S(=O)(=O)N1CCOCC1 1624581506 ZTKPAZPJOYZWAG-UHFFFAOYSA-N 444.509 1.702 30 10 IDEE C#CCC1(NC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCOCC1 1629737044 UNHRLPXLLKYPEJ-UHFFFAOYSA-N 428.533 1.719 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1629977325 IFAYOURQGHCOOP-IAGOWNOFSA-N 431.961 1.972 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1 1632228865 VKIBFOGEGRXJMS-UHFFFAOYSA-N 426.416 1.830 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCCC(=O)N1CCc2ccccc21)c1cc[nH]n1 1632880323 MSZOVPUEHGSHHT-UHFFFAOYSA-N 427.461 1.179 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN(CC(F)F)C1 1636564112 WVFMDNLGHZUWSB-OAHLLOKOSA-N 442.532 1.989 30 10 IDEE Cc1ccc(C[C@@H](CO)CNC(=O)CCn2cc(C#N)c(O)nc2=O)cc1Br 1636845657 GPCAGTNISXBQRM-CQSZACIVSA-N 449.305 1.249 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OC 1642410589 IHMCJGXDKWAFCL-IOASZLSFSA-N 442.921 1.433 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 1642410591 IHMCJGXDKWAFCL-ZENOOKHLSA-N 442.921 1.433 30 10 IDEE C=CCCC[C@H](NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)OC 1645502929 JJUWVJGRCXAVCE-HNNXBMFYSA-N 427.523 1.897 30 10 IDEE C#CC[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1660118851 SBQLAGJAXJDFFO-OAHLLOKOSA-N 425.938 1.645 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 1666188207 ULHVRYUWBACSFP-UHFFFAOYSA-N 427.477 1.182 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1666431852 LTTYONAWQQQLPZ-OIISXLGYSA-N 443.547 1.007 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Br)c2Cl)CC1 1670743212 YHQJKXJKJSGFNQ-UHFFFAOYSA-N 435.731 1.720 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)Nc3ccc(C#N)cn3)cc2)CC1 1679568053 AAGCDZJPFSULCL-UHFFFAOYSA-N 436.516 1.860 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1682564421 ITVGFOFBZXSDOE-UHFFFAOYSA-N 442.541 1.560 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1689907940 QMUWFYRSYXKUPW-JXFKEZNVSA-N 426.521 1.462 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC(C)(C)C2)CC1 1690124291 INMTUCHBSLGJMB-IBGZPJMESA-N 448.637 1.057 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690273070 CYRPHHPCYQWZMF-INIZCTEOSA-N 438.492 1.268 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1690316680 JHBZWZMRULVLQX-UHFFFAOYSA-N 430.553 1.488 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1C(C)(C)C 1690731234 DOTXKIFDHFHVET-QGZVFWFLSA-N 436.582 1.587 30 10 IDEE CC(=O)NCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690984538 XJJLFDKVWNKXAW-SIKLNZKXSA-N 445.568 1.021 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)cs1 1693353516 QDRCWZNUZNBFPY-IBGZPJMESA-N 426.481 1.618 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1698318630 FKEYHIPRHYEXQK-SJORKVTESA-N 438.517 1.028 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1705481151 APLKYLATXUCXPF-ITZAQCPESA-N 435.444 1.838 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1705566791 REEPCPXDEIJIDE-INIZCTEOSA-N 445.545 1.989 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1705607163 SJEYIVSKLHFDLW-JOCHJYFZSA-N 429.521 1.497 30 10 IDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1705616014 QBFRUVXLNFTTQA-UHFFFAOYSA-N 441.557 1.749 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705939730 LFXIPDCIDXOOFZ-UHFFFAOYSA-N 429.550 1.090 30 10 IDEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705942374 QEKHSVPAQCTIBR-UHFFFAOYSA-N 446.577 1.939 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1711153135 JPJKMHOIACYOOY-ZJYNUGOYSA-N 425.493 1.662 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C1 1711347786 GXMCWQPBBLQBGO-KRWDZBQOSA-N 426.521 1.852 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1722275407 DMQQDVYAXMJYGA-GVDBMIGSSA-N 434.566 1.776 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1722277462 NNOIRJIGHZYKIY-ZNMIVQPWSA-N 447.561 1.727 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1722297166 YCAHNCNYTFOAOB-CVEARBPZSA-N 427.571 1.132 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1722364763 AINHGRUCPBDMPJ-FUHWJXTLSA-N 449.533 1.329 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1722384461 WFMKQLQFAQGHIG-IERDGZPVSA-N 446.960 1.814 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(SC)CCN(C)CC1 1722387910 RFAOBOYLHRVYTC-OALUTQOASA-N 431.606 1.902 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722397107 MZNPTAVJSCYRSP-TZIWHRDSSA-N 434.544 1.913 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1722403349 YMLBKJLNHQMQOC-OAHLLOKOSA-N 432.550 1.146 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2)CC1 1722441732 TVHMCZPQCMSUBH-UHFFFAOYSA-N 438.507 1.667 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722726997 HPFVMIDZEYZGEF-TWOQFEAHSA-N 435.550 1.647 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722850125 CJCKCVKXOFSEAB-HXUWFJFHSA-N 437.548 1.501 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)C#N 1722866105 NHRPGHSDLDRQOS-ZDUSSCGKSA-N 425.946 1.917 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1723777941 BXQXAAXLKAYWTL-WMLDXEAASA-N 440.533 1.752 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1Cc1ccc(C#N)o1 1727226931 DXGDKDXIEBKKKN-INIZCTEOSA-N 427.509 1.230 30 10 IDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCOC1 1729952558 GJLMKIJUOQUIMF-VGSWGCGISA-N 440.504 1.236 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1730928258 CUBVFFQILBVSTP-JOCHJYFZSA-N 440.504 1.108 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(=O)(=O)CC 1740536485 HRDSGLIDVUVZGZ-OAHLLOKOSA-N 427.534 1.732 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1740638381 LEJANPDMQOXCQX-GOSISDBHSA-N 446.511 1.460 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1740656230 IZPLZMXFFVMVBQ-QGZVFWFLSA-N 426.498 1.420 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCN(C)C1 1740915886 WMPMWGCLDPOEOC-QHCPKHFHSA-N 437.548 1.946 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1741209642 CIXNGNARGFHAMN-MAUKXSAKSA-N 440.504 1.824 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(Cn2cccn2)c1 1741678533 GAVYJUQWABVVRY-IBGZPJMESA-N 434.504 1.438 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1746573530 QPFMOLRXBLWCHH-AWEZNQCLSA-N 429.481 1.644 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1748848915 XOMUMDYWMKRYLY-UHFFFAOYSA-N 427.455 1.502 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(C)(=O)=O 1748959471 URHRCGJDJWABPC-UHFFFAOYSA-N 430.534 1.072 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@H](F)C2)CC1 1749015172 ACVDBHKYPCHSAK-AEFFLSMTSA-N 430.528 1.505 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1749715960 XWRLAAQGUVDEJE-RBUKOAKNSA-N 446.577 1.327 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1749718771 IAEHIPLDTPBKRZ-VGOFRKELSA-N 431.512 1.844 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1749824721 NKMBEMAUGSCILE-XLAORIBOSA-N 426.521 1.575 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750049313 HILHHZBBUXKGPB-MXLIYFDZSA-N 430.509 1.314 30 10 IDEE COCCOCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750095441 ASWZJFYLIJVRFM-IBGZPJMESA-N 441.536 1.428 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCOCC2)CCO1 1750387830 CFBBBMNIEFMGEK-QGZVFWFLSA-N 430.484 1.447 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)COC)CC1 1760138623 CWCZUSICNDAYBB-FQEVSTJZSA-N 439.516 1.889 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1760187985 MOAMKFNNUVTANK-GJZGRUSLSA-N 432.493 1.081 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1760210545 SXVFAWZROMBUND-DLBZAZTESA-N 447.536 1.958 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C(N)=O)nc2)CC1 1760264687 VWDOMKCZWVZRBN-UHFFFAOYSA-N 449.490 1.294 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760330261 WUICKAFDWJKSAE-JOCHJYFZSA-N 434.585 1.497 30 10 IDEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760678384 FKQLJQITKCLNKJ-UHFFFAOYSA-N 448.535 1.107 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1771218545 QTMYHFRNPVUSER-MSOLQXFVSA-N 444.536 1.674 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCCCO2 1771223543 WOIZGLXJKDWCOC-SJLPKXTDSA-N 443.504 1.940 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1772660314 ZSRIJDVYBJKCOK-ZWKOTPCHSA-N 440.529 1.132 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)N=c2[nH]cc(C#N)c3cccnc23)CC1 1850160641 XEMJWLASQISJBG-UHFFFAOYSA-N 428.452 1.480 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)CC2)nc1 1851208650 BTGWTGLOEULYOG-NRFANRHFSA-N 433.512 1.810 30 10 IDEE N#CCCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1 1852649667 KLYCWEVKYGXOGQ-NRFANRHFSA-N 444.532 1.773 30 10 IDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC(S(=O)(=O)C4CCCCC4)C3)CC2=O)ccn1 1853977668 XRJKTUCFLWGUKT-OAHLLOKOSA-N 430.530 1.374 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c(Cl)c1 1865722483 SKBSUDYGVPLQBF-LBPRGKRZSA-N 437.283 1.388 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1CN1CC(O)C1 1870696443 HKPUULGKMPOFFJ-UHFFFAOYSA-N 444.444 1.145 30 10 IDEE C=CCOc1ccccc1OCc1nnc(SCC(=O)N(C)C[C@@H]2CCCO2)n1N 1874554846 WJBOOTBWPQGFBE-HNNXBMFYSA-N 433.534 1.865 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CN(S(=O)(=O)C4CC4)C3)cc21 1890895191 HMJDMHUEGGPAPK-UHFFFAOYSA-N 433.530 1.987 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 2006233208 HBHGVDHLDKTYKZ-AGIUHOORSA-N 425.345 1.839 30 10 IDEE COCCCn1c(=C(C#N)C(=O)NC2CCCCC2)sc(=Cc2ccccn2)c1=O 2059847793 LENKYVVYIZJECR-UHFFFAOYSA-N 426.542 1.293 30 10 IDEE C#CCn1ncc(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)c(Br)c1=O 2162296784 NVLUTPZOMSMXEV-NSHDSACASA-N 443.298 1.507 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]n2C)C1 2255189681 LEMJVTKYPDQQJB-UHFFFAOYSA-N 448.524 1.507 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255380507 AWDQIBOGWUASSY-GRDNDAEWSA-N 435.330 1.134 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255622650 CGONNKURULLIIA-HIFRSBDPSA-N 434.346 1.845 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1NC(=O)OC(C)(C)C 2255694508 ONNQFCYUHUIKIT-QWHCGFSZSA-N 435.334 1.100 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255842792 XNZXZHSOBSBKNU-NSHDSACASA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255855021 JSXMBFJQPSYULP-KGLIPLIRSA-N 436.314 1.679 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)n1 2267112716 KNPZLSQTDSRTEZ-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267131962 JQPDSHWJDYQOIN-JLCFBVMHSA-N 446.357 1.941 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C(=O)OC(C)(C)C 2267544109 PKDKZUDNNIJPET-KGLIPLIRSA-N 449.361 1.584 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCC(=O)NC(C)C)C(=O)[C@@]12C 2297591246 QNHNAUJPPVXKMR-QHCPKHFHSA-N 442.468 1.683 30 10 IDEE CC#CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)C(=O)OC(C)(C)C 2300545249 XIBXNMVKTIESEU-IRXDYDNUSA-N 439.553 1.981 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc3c(c2)OCCO3)CC1=O 2329056027 WKFCVJNLGUSYHH-HNNXBMFYSA-N 431.518 1.740 30 10 IDEE COc1nc(O[C@@H]2CN(C)C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339824598 NSPULNPRXONLJG-JKSUJKDBSA-N 449.357 1.976 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2341159285 UMEUWQXAZUDJOB-DZKIICNBSA-N 446.357 1.847 30 10 IDEE CC(C)NC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@@H]2CCCO2)CC1 46022151 GPNHFQOXOHOOKQ-IBGZPJMESA-N 431.537 1.283 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(N(C)C)CC3)nnc12 63735088 FNSIXSXVHZGYTD-UHFFFAOYSA-N 426.546 1.875 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccn1 72472469 JXFNRQWTCLMDTK-GUYCJALGSA-N 430.424 1.772 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1 102741895 SGARDXNBRHPBLO-LAFOYAEKSA-N 428.464 1.920 30 10 IDEE Cc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc(S(=O)(=O)N(C)C)c1C 105286239 JPPBLQXSKYOCNY-UHFFFAOYSA-N 427.530 1.783 30 10 IDEE C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COS(C)(=O)=O 254517822 TZEYKLAAPSZABE-XLJOKAOBSA-N 438.542 1.542 30 10 IDEE CCCn1c(O)nnc1SCC(=O)N1CCN([C@H](C#N)c2ccc(OC)cc2)CC1 444401467 GOHXSZSTNFHYQM-QGZVFWFLSA-N 430.534 1.903 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ncccc2Br)CC1 474211600 VZJCXKHWQXNHBK-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C#N)ccn2)CC1 477408748 VZPXROXJXDRZKK-UHFFFAOYSA-N 428.470 1.779 30 10 IDEE CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 478835963 BIMZTWTXNDWYLT-MRXNPFEDSA-N 434.521 1.614 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 481523769 SWGHJBXAFBPGFQ-GFCCVEGCSA-N 446.451 1.285 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 487150535 BTCPMPOHXNJDMI-MRXNPFEDSA-N 441.513 1.834 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@H](Cc3ccccc3)CN3CCOCC3)CC2)n1 544887715 FSHGZTIXBKUMBJ-JOCHJYFZSA-N 434.544 1.728 30 10 IDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 547269976 HONSIKSMFHBDAX-YOEHRIQHSA-N 432.502 1.648 30 10 IDEE CN(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 555382929 JGLBILKYKGHMCX-IBGZPJMESA-N 439.520 1.711 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H]3CCCO3)CC2)nc1 555401533 XRSKWUINDFHLPI-SFHVURJKSA-N 436.520 1.286 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 611090361 SXBZJWMGUMYWNT-PTUXOGIPSA-N 432.613 1.882 30 10 IDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 729488076 IWINCESJHZGNSD-UHFFFAOYSA-N 426.514 1.871 30 10 IDEE C[C@H]1CN(Cc2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)C[C@@H](C)O1 737597658 FEMDZHSLEVMTJE-IYBDPMFKSA-N 442.541 1.973 30 10 IDEE CS(=O)(=O)[C@@H]1CCCC1=NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 741450848 CLKIQKWZQKLDRJ-MRXNPFEDSA-N 430.508 1.744 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)s1 746108620 CYEMOYHASFFVTL-ISLYRVAYSA-N 440.547 1.311 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 747336029 LQCHTZASZXDHKN-UHFFFAOYSA-N 429.480 1.915 30 10 IDEE COc1cc(C=NNC2=NC(=O)C(=O)N2)cc(Br)c1OCc1ccccc1 765593010 KKHKLXKJOQGQOX-UHFFFAOYSA-N 431.246 1.973 30 10 IDEE C#CCN(C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 767320321 NFNSFJXKZBSBBU-GFCCVEGCSA-N 448.360 1.424 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1C 771540996 UAPBMNXTPFRYGG-INIZCTEOSA-N 427.534 1.670 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O 773655191 DSLAPDRBQPMDRO-MGPWXQLLSA-N 447.289 1.587 30 10 IDEE O=C(CON=C1C(=O)Nc2cc3c(cc21)OCCO3)NCc1cnn(-c2ccccc2)c1 774803780 ILJYUKUIEYZVTP-UHFFFAOYSA-N 433.424 1.633 30 10 IDEE COc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C#N 776062623 YSBAKXSUSXWXGH-UHFFFAOYSA-N 431.474 1.304 30 10 IDEE COC(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1C1CC1 779971834 HTJUGOYGSXDVAF-UHFFFAOYSA-N 442.497 1.491 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2C[C@@H]3CCCN(C(=O)[C@H](O)c4ccc(C#N)cc4)[C@@H]3C2)cc1 780954922 RLIXYKYSCMMSFH-GSPCLOLRSA-N 444.491 1.646 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2CS(=O)(=O)C2)c1 786687741 GVTICFSMAPMVJA-GOSISDBHSA-N 445.566 1.703 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H](O)Cc2cnn(C)c2)cc1 786802015 PSQDSCGQNSCHTK-GREXYARLSA-N 433.534 1.555 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCN1C1CC1 795829977 OUKXSDQZQFTIMB-JTQLQIEISA-N 433.259 1.857 30 10 IDEE C[C@H](OCC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccn1C 805857199 PTRWWAJSPFXHBS-MAUKXSAKSA-N 440.460 1.464 30 10 IDEE Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cccc1N1C(=O)N[C@@H](C)C1=O 808440493 OPEZFRRFKXCTNH-LBPRGKRZSA-N 441.469 1.117 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)cc1I 813957949 IZBMAMJZXYLMKP-UHFFFAOYSA-N 427.223 1.985 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CCC3)c2=O)cn1 814253044 AHWOXHBSYBBSBA-INIZCTEOSA-N 426.542 1.740 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 820180210 WEBSFVBXVINRMT-OAHLLOKOSA-N 427.841 2.000 30 10 IDEE C[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1141312721 MZVCHNIFASORGQ-INIZCTEOSA-N 442.520 1.070 30 10 IDEE C=CCN(C(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCS(=O)(=O)C1 1142059771 YYYLVRHDNGKIAL-MGPUTAFESA-N 441.550 1.734 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)/C=C\C(=O)c2ccc(C)cc2)c1 1144418306 YCIHJDBZDNQAOH-SSCKCOOKSA-N 429.498 1.785 30 10 IDEE C=C(C)C[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1153517081 TYDSLYCNZRVDCC-HUUCEWRRSA-N 432.539 1.425 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 1167025201 VXRDZBQATLEZCP-QFIPXVFZSA-N 441.488 1.472 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1176172996 MTLJJDDSAJUDAF-CVEARBPZSA-N 425.526 1.906 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC)C1CCOCC1 1213181013 BCFSBMRQEUCKKN-INIZCTEOSA-N 430.548 1.554 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286386747 GZCQCMWBUHHPOC-QZTJIDSGSA-N 432.594 1.641 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@H](C)C2)CC1 1286484950 RLJLNEHLLKPDCB-MSOLQXFVSA-N 442.589 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)CC)CC1 1286487918 RPQQDZPLAKZAIU-QFIPXVFZSA-N 440.504 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccnc2)CC1 1286492893 QYLUZGOCFAFIGF-UHFFFAOYSA-N 446.559 1.743 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1286494993 WZZMSAUFCSUESG-DVECYGJZSA-N 437.544 1.656 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286504716 SFEUVQIAJNKIPS-GOSISDBHSA-N 446.602 1.711 30 10 IDEE C#CCSCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286511600 BHRNTIFSEVVEFU-QFIPXVFZSA-N 449.621 1.598 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1 1286567259 SYZONXZOLQEXHO-NRFANRHFSA-N 449.577 1.749 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286614650 VVNUDOYBCDKZCP-YLJYHZDGSA-N 442.582 1.536 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1286792829 JOHWRYJRCOKUOD-UHFFFAOYSA-N 426.456 1.219 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286930913 SACADJLHROJGBK-UAFUQJIBSA-N 443.552 1.356 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286962759 GJLITGHJORNCDR-MAUKXSAKSA-N 427.534 1.837 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1286964752 DPGXPJWGTGPOCO-OAHLLOKOSA-N 436.520 1.656 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1300309715 IJHJWAZBOWHSDV-IAGOWNOFSA-N 448.568 1.959 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1300486772 AXKSGMCKOLQUTE-KRWDZBQOSA-N 429.546 1.784 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC=C(C)C 1300671819 QKXQHSWZZRDKPU-QGZVFWFLSA-N 425.555 1.053 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnn(-c3ccccc3)c2)CC1 1300683128 LOZRYTJWBBPONW-FQEVSTJZSA-N 449.559 1.991 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2)CC1 1300726217 JDPIRZWUISVLJH-UHFFFAOYSA-N 445.527 1.682 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1300952337 RLFFALAUUVRVLD-KRWDZBQOSA-N 426.587 1.108 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301511844 GLISSMPCVSTJIY-LZICOFPGSA-N 425.493 1.662 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CCC)C1 1301556017 FAXZORVZSQEANY-XDNAFOTISA-N 439.582 1.753 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCCCC2 1303643673 ATNYXRYHBKXQJH-HNNXBMFYSA-N 433.520 1.883 30 10 IDEE C#CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303655407 CZIBHJKODCMCAV-FMQUCBEESA-N 430.505 1.764 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)s1 1304212657 BZGFVVYSKQTBLJ-UHFFFAOYSA-N 448.526 1.916 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)ccc2c1=O 1306902147 QUVCDLUNHIXXSI-QGZVFWFLSA-N 433.555 1.911 30 10 IDEE C[S@](=O)CCN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1309294616 GYZWDYUMUANQDV-QHCPKHFHSA-N 438.344 1.145 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3nnc(-c4cnn(C)c4)cc3C2)c1 1309727318 WXKZFNVHDMEJGQ-UHFFFAOYSA-N 438.513 1.540 30 10 IDEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 1313257790 BUSKXZPIOHIOEY-UHFFFAOYSA-N 448.545 1.780 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1358918487 XEAOHWKLULKOQA-HKUYNNGSSA-N 430.553 1.800 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1358939676 BTFQMWPVTSTPPP-NZQKXSOJSA-N 432.613 1.662 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCCC1 1358946431 VGCOUBPFDBAXJH-UHFFFAOYSA-N 429.550 1.353 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1358948684 IDRZMBQSAQFVAG-GJZGRUSLSA-N 425.555 1.553 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1359010215 KGYSUYLCEKEUMW-GOSISDBHSA-N 432.546 1.865 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnn(-c2ccccc2)c1 1359023834 XZIGDMRDBHHMLB-HXUWFJFHSA-N 433.516 1.744 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2COCCO2)CC1 1359033749 OKTQHRWTMRJVGR-MRXNPFEDSA-N 446.349 1.878 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C)s1 1359048833 CCYBGPBGGXNLNG-GFCCVEGCSA-N 428.609 1.656 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1359128541 XIXOUOMNZGZKQN-UHFFFAOYSA-N 444.492 1.741 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359291307 LPAZCLVUFHLIQS-INIZCTEOSA-N 439.520 1.116 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1359297936 HHCMUKLNCLVLQI-IAGOWNOFSA-N 442.568 1.502 30 10 IDEE CC(=O)N1CCN(CCn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1 1359402864 PFZNDSRZERYSFK-OAQYLSRUSA-N 437.548 1.802 30 10 IDEE C=CCN(C(=O)CN1CCC[C@H](C(=O)OC)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1435899058 CGHBAOHBSNOCTR-OALUTQOASA-N 430.501 1.587 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](Oc1ccc(Br)cc1)C(=O)OC 1449284067 MNELIIYFQPPSPK-CVEARBPZSA-N 427.295 1.957 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3cnccc3C#N)CC2)CCS(=O)(=O)CC1 1450477815 SZSNFVMPXIQMQK-UHFFFAOYSA-N 448.545 1.139 30 10 IDEE CCN1CCN(C(=O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1457840928 RNWWVVOUSWAIBZ-JQHMZKTJSA-N 433.553 1.054 30 10 IDEE CS(=O)(=O)c1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1460832924 VIRNTGVFDDQVSB-UHFFFAOYSA-N 425.463 1.673 30 10 IDEE C=CCN(C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)[C@@H]1CCS(=O)(=O)C1 1466039951 BFTCYRAPXNCPGJ-HUUCEWRRSA-N 430.552 1.067 30 10 IDEE CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n[nH]1 1472386217 YODDZVMTWODUIO-BJJXKVORSA-N 428.880 1.580 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@]3(C)CN(C)C3=O)CC2)c1C#N 1492727179 KDPILKZYELVVBP-NRFANRHFSA-N 425.541 1.120 30 10 IDEE C[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1493781246 VNBAPJSXWLIBGS-MODMUFLJSA-N 441.536 1.553 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1504439998 BZFLDSFVRICKMR-MRXNPFEDSA-N 426.477 1.121 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1505029279 KPSAZJVUPBCGMS-VPTFNQTCSA-N 429.546 1.970 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1507615912 CSWWHYRTSOSEEN-CABCVRRESA-N 430.530 1.630 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1507669909 VDQIVOUZWWWILK-UHFFFAOYSA-N 446.559 1.441 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507724676 VKNPDHKZSSWSGU-NRFANRHFSA-N 436.608 1.045 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OCCN(C)C)CC1 1507732737 XHDJZLCZOVOKMW-OAQYLSRUSA-N 438.576 1.526 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 1507750762 DMXLYQAPRWGBJZ-BBWFWOEESA-N 441.623 1.460 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)NC)C1 1508112119 MJFGBDNSNLBRMF-AWEZNQCLSA-N 425.942 1.929 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(N)=O)CCCC2)C1 1508116350 RLIVSUJKITZNEG-VGOFRKELSA-N 433.553 1.757 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCCCC2)C1 1508143119 DRTQCNJBKGVLBS-HXUWFJFHSA-N 444.605 1.929 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1508148007 DZHALAFNLFFDRI-TXPKVOOTSA-N 444.623 1.861 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508406721 IPVJYBLGOXBJLR-OAQYLSRUSA-N 437.548 1.850 30 10 IDEE Cc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)s1 1511749872 FMUJZZIKFIEUFC-OAHLLOKOSA-N 429.531 1.648 30 10 IDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)CCOC1 1517947487 GQEICCHOJRSUIG-QFIPXVFZSA-N 437.504 1.867 30 10 IDEE Cc1nc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1C#N 1529425154 QKAYXTYGEIUVNU-UHFFFAOYSA-N 442.520 1.692 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1Cc1nnc2n1CCC2 1539422419 BAGRVMAWOSSEES-UHFFFAOYSA-N 425.468 1.668 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 1539441778 VIYYSUQAYZDHMP-UHFFFAOYSA-N 433.560 1.683 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1539496458 GDPJCNFXNXBSRE-OAHLLOKOSA-N 427.596 1.404 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(C)C 1539548010 CRETUFXYSPXTNK-JOCHJYFZSA-N 433.520 1.781 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1539626270 CBJKTDMBHWELHO-SJLPKXTDSA-N 429.525 1.938 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1539965768 AHIKSRHNAFTPHY-KRWDZBQOSA-N 436.538 1.518 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1)C1CC1 1540108283 IBZIBKFWNIOSFD-QGZVFWFLSA-N 439.582 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1C(C)(C)C 1540909093 XLGLTLALFQXIHG-MRXNPFEDSA-N 425.599 1.870 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1555188414 FYCUPXLVPRFISN-CGTJXYLNSA-N 428.449 1.634 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1555524560 GTGSOVJHGXRPKL-UHFFFAOYSA-N 427.553 1.746 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cc[nH]n2)CCO1 1555993023 GRZWQIONGYCTGY-ZDUSSCGKSA-N 442.430 1.029 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)C1 1556132749 SQWKUWQOTUMHHV-AAEUAGOBSA-N 443.426 1.850 30 10 IDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1557538257 BUYMCQIIIMASRP-UHFFFAOYSA-N 429.498 1.950 30 10 IDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](c1ccccc1)c1nc[nH]n1 1570179986 AANBXDDUQUDKFW-LJQANCHMSA-N 438.513 1.871 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587921862 LGIMBLRWMWYSHG-WZONZLPQSA-N 440.548 1.668 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1588006591 OJDNIQJWFHHMDU-GOSISDBHSA-N 426.521 1.445 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588074024 HMHSGGZWZVRWOB-APWZRJJASA-N 438.575 1.411 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1588223809 HGPJBJJHGRDCCO-OAHLLOKOSA-N 430.310 1.351 30 10 IDEE C#CCSCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1589125381 KAESYBUJKBWQGV-NQIIRXRSSA-N 446.577 1.608 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)OC)C1 1589570948 XMSQYOHIDSTUBY-UWVAXJGDSA-N 431.537 1.771 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1595405077 BFBKUFPWTOLNBW-HOTGVXAUSA-N 427.571 1.581 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C)C1 1595777585 QHCZZLWQVALLGS-INIZCTEOSA-N 442.549 1.758 30 10 IDEE CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598483886 QHMILRQEAUHBPN-PRJMDXOYSA-N 432.333 1.944 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1616222505 BQAKSGXORYFDSL-IRLDBZIGSA-N 446.552 1.342 30 10 IDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1618025980 PCWOVLUWYUXWEP-OAHLLOKOSA-N 441.446 1.588 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619627349 JUKUUQQKNDHNQK-PKOBYXMFSA-N 439.495 1.890 30 10 IDEE C[C@H](NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(C#N)cc2)C1)c1ccc(S(N)(=O)=O)cc1 1620623975 LMXWPNKIVSEGON-MRUHUIDDSA-N 442.541 1.845 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1627880103 LXAXYDDSRSKVQL-UHFFFAOYSA-N 427.320 1.669 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1628849045 YJVWNNCJMYUTQV-UFYCRDLUSA-N 448.608 1.942 30 10 IDEE Cn1cc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(I)n1 1629139726 QYWZTZGLGBBJBW-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE N#Cc1cccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1Br 1632877572 WJQCCGNGFHYSLV-UHFFFAOYSA-N 426.336 1.656 30 10 IDEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637515528 WTGGUGMHMIMWLG-UHFFFAOYSA-N 428.811 1.804 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)cc1 1638427162 LDXZLLUMQOSCFV-CYBMUJFWSA-N 433.511 1.585 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(I)cc2N)n1 1639991998 MCHBJEBHAXUHCG-UHFFFAOYSA-N 438.269 1.992 30 10 IDEE CSc1ccc(CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1C#N 1645402274 CZVCIABOTJHBJC-MRXNPFEDSA-N 439.946 1.889 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC(=O)N1 1649540425 VSUHGQBYWBCRSZ-DZGCQCFKSA-N 429.550 1.283 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1652012522 AZYPNNQQFJBIRK-XIRDDKMYSA-N 444.937 1.478 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 1652921654 FJRBWKWHZMEKKN-YGCDDZCOSA-N 430.892 1.977 30 10 IDEE CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653760567 XOUXHIOZFAKKAJ-UHFFFAOYSA-N 425.445 1.794 30 10 IDEE CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN(CC(=O)NC)CC(=O)NC)c2C#N)C1 1654702523 ZDJXVICMZWXIEN-AWEZNQCLSA-N 447.605 1.893 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1660652603 ZMDWSDCRRUMKBG-GDBMZVCRSA-N 436.477 1.773 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)n1 1661770568 RAZMZLDUZGMYJT-HHHXNRCGSA-N 428.511 1.506 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](CO)c1ccccc1I 1670882331 LADVSJKUBSSZHB-ZDUSSCGKSA-N 438.287 1.225 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@H](C(C)C)CC3)CC1 1675369150 ZZNOFUVWBRFUHA-CQSZACIVSA-N 425.580 1.521 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNc1nccc(C(F)(F)F)n1 1689824875 ZPKHJISPJAFIKM-ZDUSSCGKSA-N 436.442 1.893 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCOCCS(C)(=O)=O 1689957106 QYCIWXRKLLEDCQ-UHFFFAOYSA-N 441.351 1.838 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689979663 FVFFAFDBVHJLED-QGZVFWFLSA-N 439.651 1.856 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@H]1OC 1690104311 SMFHSVOLBXLUKB-UIFIKXQLSA-N 442.516 1.928 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1690112312 UVVBZADXMPEPMN-KRWDZBQOSA-N 432.569 1.841 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690150871 YOADLCLDYWOTKF-LJQANCHMSA-N 426.565 1.455 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690154742 YFEOENJMHWGWJC-GOSISDBHSA-N 444.609 1.908 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1690175250 SOIKLUGTUCECNF-MSOLQXFVSA-N 438.619 1.800 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690328885 PIPFTJSFESZPJM-DOMZBBRYSA-N 442.977 1.691 30 10 IDEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690472578 QKBVHYLWAAXGMX-RDJZCZTQSA-N 442.495 1.670 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccn(C)n1 1694328640 FCYYFGFXJLJGFT-UHFFFAOYSA-N 449.519 1.513 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cn[nH]c1 1705480740 XYSMSMTZQFBFBQ-CQSZACIVSA-N 426.550 1.970 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@H]1CCOC1 1705488623 DPZFVQUAAIFUPB-IRXDYDNUSA-N 446.577 1.892 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCCC(C)C)CC1 1705639551 QVXRXKDRMPJJCU-IBGZPJMESA-N 437.610 1.388 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(C)=O 1705868493 PPGAUEZYUARUON-MRXNPFEDSA-N 437.591 1.961 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1706079703 PWPQCUAFFSYTHR-HUUCEWRRSA-N 428.584 1.104 30 10 IDEE CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1708766752 FLUDWXKRZGABMP-CVEARBPZSA-N 447.540 1.546 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCNC(=O)C(C)C)n1Cc1ccc(C#N)o1 1712629669 OTHRZZRXRMRABX-YJBOKZPZSA-N 430.509 1.723 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722305899 FBSWIHBSAFBSNT-LJQANCHMSA-N 437.548 1.887 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)n1 1722346791 WYAAIERKDUHFHM-UHFFFAOYSA-N 442.549 1.026 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(CS(C)(=O)=O)c1 1722425396 XHTXWCJNACRECT-UHFFFAOYSA-N 427.530 1.952 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1722473303 CMMFUTIEAPHHBR-HNAYVOBHSA-N 434.591 1.965 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1722473458 DSMGRGRVYHNQCP-LAUBAEHRSA-N 435.594 1.019 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1722629801 OHKHXJNGMJHTIO-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1722694363 UBWBXXHJSLHOOA-CYBMUJFWSA-N 449.353 1.828 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](COC)OC 1727008615 AQAVTELWWKKSPN-GVDBMIGSSA-N 428.541 1.830 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1727291623 GQWNZHHZOODOSW-SFHVURJKSA-N 425.537 1.926 30 10 IDEE CCc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727630134 WFUQMCJCNXZCRU-UGNPLGLKSA-N 436.516 1.815 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1728294242 QMMZMUNUXOGHBZ-LAUBAEHRSA-N 442.545 1.308 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1728800953 BMAWHAYQCYNRNF-RTBURBONSA-N 425.555 1.495 30 10 IDEE CSCCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1731126574 KTKNNTHGSMGEEN-UHHPSXQGSA-N 434.566 1.888 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1740550478 IRTAVZQWXIKCLA-FUHWJXTLSA-N 436.564 1.825 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1740616689 FNTSBDJPPUXGSB-GOEBONIOSA-N 446.520 1.674 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1740631663 TUDFLTCKECGOLK-MRXNPFEDSA-N 426.546 1.283 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1740634606 NQHJDWOWOKYCRR-SFHVURJKSA-N 427.468 1.554 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740668299 JPVINCJDEAUETK-KRWDZBQOSA-N 431.518 1.171 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCSC2)n1 1740688799 JVDXPYAJTZTDRI-QGZVFWFLSA-N 438.561 1.971 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)C2CCCC2)CC1 1740709164 BSXHXURAEPQOGJ-HXUWFJFHSA-N 428.581 1.970 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740721122 XMLSDIBOWFBQQK-QGZVFWFLSA-N 444.586 1.506 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740782490 RJLQNMWMSPWYDH-HUUCEWRRSA-N 436.538 1.841 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740791447 HKPJVIFIOZPAAC-NRFANRHFSA-N 440.508 1.142 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740879257 IPYFZKUUKRJEIA-GOSISDBHSA-N 429.569 1.110 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCN(C)C1 1740915885 WMPMWGCLDPOEOC-HSZRJFAPSA-N 437.548 1.946 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1740965096 ZKNSMCFWHURKRZ-MRXNPFEDSA-N 440.548 1.768 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740987953 OZJHIDKZSUUAHZ-NRFANRHFSA-N 449.577 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(N)=O)C1 1740988057 RUMDLRBJHYNMHA-MRXNPFEDSA-N 443.529 1.994 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CO)CC1 1740991801 FCQISXSOBUPXSG-IBGZPJMESA-N 448.545 1.600 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 1741983121 GKZDMASXLQMNHI-LPHOPBHVSA-N 425.555 1.711 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1C 1742254486 RJAWYBSEJXJCID-JTSKRJEESA-N 437.504 1.354 30 10 IDEE CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1743984634 FCEYXANHHNSCBP-RTBURBONSA-N 447.584 1.282 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1746573532 QPFMOLRXBLWCHH-CQSZACIVSA-N 429.481 1.644 30 10 IDEE COC1(C(F)(F)Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOCC1 1748459074 CVFSAZUCFDJKBS-UHFFFAOYSA-N 434.447 1.952 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1748724076 JCNIXYVMVJGYRY-HNNXBMFYSA-N 428.518 1.714 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1748738686 MKABAFZRHQYVQV-HNNXBMFYSA-N 428.522 1.204 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1749049946 TUYLTZFWKJATJY-VQTJNVASSA-N 435.550 1.328 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)COC)CC1 1749114724 GHIPJTJVSDJZCZ-VQIMIIECSA-N 448.568 1.129 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1749115453 QHXAMKQPVJJTDB-KBPBESRZSA-N 444.330 1.799 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749210306 GXFVFINXERGHHE-UHFFFAOYSA-N 432.569 1.802 30 10 IDEE C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749253357 MTHKJTMNPJEIAJ-CYBMUJFWSA-N 443.733 1.750 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749386374 DFJCXXDBIHQEPC-UHFFFAOYSA-N 431.585 1.517 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(Cl)cn1 1750005251 ACAIGSWBCNCDGL-ZBFHGGJFSA-N 436.900 1.858 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760161671 MUEADSFKXFJKLG-BBWFWOEESA-N 443.552 1.676 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1760185576 ZSYRBLSHTMHDMQ-HPGBDJQBSA-N 434.587 1.649 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1760193111 TZSYTGBHZGEKEK-KRWDZBQOSA-N 448.545 1.507 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](OC)C(F)(F)F 1760198553 DWWYODFAYCFZDU-KRWDZBQOSA-N 444.421 1.961 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)CC 1760231811 HOQOWAIFMXSCAS-UHFFFAOYSA-N 427.534 1.530 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)N(C)C)CC1 1760267156 HTIHAXCIFBBIFY-UHFFFAOYSA-N 445.527 1.547 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760358223 SPMXDMWUQORAQM-LJQANCHMSA-N 448.568 1.339 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ncccc2F)CC1 1760522721 CCIRBICJZFGOFU-UHFFFAOYSA-N 439.499 1.232 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2C)n1CCC(=O)N1CCOCC1 1769841546 FJENFUQJCPVIFM-UHFFFAOYSA-N 426.521 1.869 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCNc2ccccn2)cc1 1771534646 JIWNOMORMUSFAZ-UHFFFAOYSA-N 432.488 1.562 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1771544924 YOAUMDVMQVCERH-CVEARBPZSA-N 438.442 1.860 30 10 IDEE C=CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC)[C@@H]1CCN(C)C1=O 1849245997 BPDWJYKAIWRULP-QGZVFWFLSA-N 437.500 1.545 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)NCC3(C#N)CCOCC3)CC2=O)CC1 1853152383 ORNZSRJMVABNGW-INIZCTEOSA-N 434.537 1.671 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854408803 TTXWTDHDHVBKFY-IBGZPJMESA-N 429.542 1.519 30 10 IDEE C=C1CCCN([C@@H]2CCN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1854737856 KWGQZWHKINLILW-QGZVFWFLSA-N 431.514 1.391 30 10 IDEE C[C@@H]1C(=O)N(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCN1CCC#N 1856193577 RNANLVRAOSHGPY-OAHLLOKOSA-N 436.509 1.199 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)n1cncn1 1856995232 PZEHHOHSXHVFJM-HOCLYGCPSA-N 429.502 1.684 30 10 IDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1857217245 JFCNPVLOSGXUAB-MSOLQXFVSA-N 436.578 1.191 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862594033 OIAVESDPQMSQFP-LJQANCHMSA-N 426.425 1.821 30 10 IDEE C[C@@H]1CN(C(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1 1872678986 UYUWGMIFTKNDFF-GHMZBOCLSA-N 431.474 1.758 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(Oc2cccnc2C#N)C1 1891958555 QSVWJECVJMKSDO-MRXNPFEDSA-N 431.474 1.001 30 10 IDEE CC1(C)OC[C@H]([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2nncs2)O1 2033813521 COECPOWSWYJGOQ-OCCSQVGLSA-N 431.426 1.829 30 10 IDEE C=CCN(CCC(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2243022778 OICBYKADNAWYMD-UHFFFAOYSA-N 431.530 1.164 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255605513 MKCXGRNQCGFXDK-CHWSQXEVSA-N 435.334 1.242 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CC(NC(=O)OC(C)(C)C)C1 2255607390 YTXWYJWBSUXJNR-UHFFFAOYSA-N 435.334 1.242 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 2255694716 SDIBTDKQVXMLBW-QGZVFWFLSA-N 426.326 1.528 30 10 IDEE CC1(C)OB(c2ccc(F)cc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2255770892 SQISUFRLOZIFTN-UHFFFAOYSA-N 430.207 1.875 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CCON(C(=O)OC(C)(C)C)C1 2255872895 GGJPMJTYBQVTGE-HNNXBMFYSA-N 435.330 1.995 30 10 IDEE CN1C[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2258953758 FRWDIYLDYDSDSY-OAHLLOKOSA-N 435.330 1.205 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2267194852 GVMCNXHIWFTRBE-UHFFFAOYSA-N 449.357 1.861 30 10 IDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1NC(=O)C(F)(F)F 2267491954 LKQDJIQBJGVHAH-YPMHNXCESA-N 444.263 1.248 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)n1 2267542699 WAKFIAGRUSZJAC-UHFFFAOYSA-N 447.345 1.340 30 10 IDEE CC[C@]1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN(C(=O)OC(C)(C)C)C1 2267597581 RGTJNVOPSDLKNM-NRFANRHFSA-N 449.361 1.634 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267607833 BOIPSVLHVIYZOP-AAEUAGOBSA-N 442.247 1.447 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2272632274 DUJIBCLRTPDGDS-JLCFBVMHSA-N 444.341 1.763 30 10 IDEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2315694438 YZRHUMFJTUODIF-NSHDSACASA-N 447.288 1.973 30 10 IDEE NC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330940487 LLASCZMVBZHZFK-GFCCVEGCSA-N 434.434 1.269 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2333603611 IQTHPOXHANWLLC-OTWHNJEPSA-N 448.369 1.417 30 10 IDEE C#CCN1CCN(S(=O)(=O)c2c(Br)cc(N)cc2Br)CC1 40334918 RFCMDIHYRKYPDU-UHFFFAOYSA-N 437.157 1.733 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCCS(=O)(=O)N1CCc2ccccc21 106183223 GDYJKUGNNGLVLV-UHFFFAOYSA-N 429.546 1.855 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 471028891 NRTISODOQXGMOB-VXKWHMMOSA-N 448.011 1.995 30 10 IDEE C=CCc1ccc(OCC(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)c(OC)c1 474473476 JNNPSOUQKYVKDK-UHFFFAOYSA-N 425.503 1.429 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C)c2=O)n1 479364309 ICGKOXDETYESOA-UHFFFAOYSA-N 448.548 1.886 30 10 IDEE CC(C)[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)N(C)Cc1nnc2n1CCC2 480621343 WPBUQKOPGZOSMJ-LJQANCHMSA-N 448.524 1.338 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 486623170 BQHNWDOGUSWCSA-UHFFFAOYSA-N 432.543 1.370 30 10 IDEE CC[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F 498856027 XDLPZQYCSDAVJF-RDJZCZTQSA-N 433.459 1.951 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 508880149 JSSRUIPWGMHCMA-SFHVURJKSA-N 442.545 1.945 30 10 IDEE CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1OC 508948113 DZRCOMBTPFBQDN-UHFFFAOYSA-N 449.920 1.486 30 10 IDEE CCc1c(C(=O)N2CCCN(c3ccccc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513727602 MECMJOGCQRXXSA-UHFFFAOYSA-N 446.511 1.419 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1-c1ccccc1C#N 515665361 UQHHIQIKHJFEJY-UHFFFAOYSA-N 437.484 1.568 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC(N)=O)ccc3F)cc2C1=O 518690377 HIUGKVQWLQFOQT-UHFFFAOYSA-N 438.415 1.465 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 531938968 JQJIEKSOGQGQMM-UHFFFAOYSA-N 436.449 1.727 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 540123280 PPGCENBKHVUHFY-RDTXWAMCSA-N 431.518 1.176 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1ccccc1C 541289898 GZGJTWUSAWPZPN-UHFFFAOYSA-N 447.545 1.704 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1=O 544366773 VTQPGFVPOAKKIO-SFHVURJKSA-N 448.470 1.973 30 10 IDEE C=CCOC[C@H]1NC(=O)N(c2cc(I)cc(C(=O)OC)c2)C1=O 552776729 HZRCLOAAKLAXJT-GFCCVEGCSA-N 430.198 1.705 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@@H]1CCCO1 610574341 ITFHWSXCBAEUJQ-SFHVURJKSA-N 437.565 1.994 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CCN2C1=O 615858081 HDRVHIJPPSUJTB-SFHVURJKSA-N 438.488 1.770 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Oc2ccccc2)C1 669804422 RLJSPEPFUAYNKR-OALUTQOASA-N 447.561 1.845 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 728531581 HFUBBKFAXBKSFN-QYZOEREBSA-N 432.565 1.448 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 734152720 CTGVPOVVPZAZKH-UHFFFAOYSA-N 436.534 1.567 30 10 IDEE C[C@H](CC(=O)N(C)Cc1nc(-c2cccnc2)no1)/N=C1/NS(=O)(=O)c2ccccc21 742665881 RWUSPMKNGHTQDO-CYBMUJFWSA-N 440.485 1.607 30 10 IDEE COc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1C#N 746782731 YQUMOPBTCFQTKI-UHFFFAOYSA-N 437.504 1.225 30 10 IDEE O=C(NCC#CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 757471583 SGNDAEYCXJHXNO-YCRPNKLZSA-N 434.448 1.575 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)CC2)n1 760792936 NCAGFHNVXYQWDD-AWEZNQCLSA-N 438.419 1.702 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 772882019 CWCHQRQBTZOENG-INIZCTEOSA-N 431.518 1.066 30 10 IDEE C#CCN(C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)[C@H]1CCS(=O)(=O)C1 774047379 SGUGCSJMNCTRJE-FQEVSTJZSA-N 446.573 1.047 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)OCC)O3)n1 788694374 OSTKMMZAMJJPQG-HXUWFJFHSA-N 447.513 1.220 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)cn1 791186732 BLPCTRBAMNMUPZ-QGZVFWFLSA-N 431.543 1.517 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 794762839 XIVKQEJWLPAKJB-YCRPNKLZSA-N 449.529 1.235 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)(n2cccn2)CC1 796385313 RKDMNQJYIYTQRF-SFHVURJKSA-N 428.537 1.808 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 809910542 UPGSZEDBWMUQJP-QGZVFWFLSA-N 434.541 1.831 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 856533095 MXAQFIGTGYTIEI-ZWKOTPCHSA-N 428.514 1.142 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCOCC1 1159206926 CTYODTOHERQODP-MRXNPFEDSA-N 441.937 1.310 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)CC1 1234607165 AENSZLLQYNDRAD-CUYAVPTFSA-N 425.493 1.774 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCN1CCCS1(=O)=O 1286303183 AQSWMXDAAKVMKQ-QGZVFWFLSA-N 431.562 1.913 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(=O)OC)C1 1286348195 VMNDKMMBCFSXQR-HNNXBMFYSA-N 430.534 1.651 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1286400351 DBZBARJTVQNLQY-FWUCURJTSA-N 440.569 1.930 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1286431031 QYJJOZFDMMOULO-MRXNPFEDSA-N 428.443 1.779 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1286446831 IDDIXJJIDJORDB-KRWDZBQOSA-N 429.525 1.828 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286563054 NWVKCGXWEGHMCD-CGTJXYLNSA-N 439.582 1.629 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286700289 LKUQGONJIMMZIM-QZTJIDSGSA-N 434.566 1.557 30 10 IDEE C=CCn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286777604 IHJHIBCLFUGXED-YLJYHZDGSA-N 441.598 1.613 30 10 IDEE C=CCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286777804 LXNHJKIKKJWQDC-QFIPXVFZSA-N 426.521 1.862 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](C)C1 1286786527 GEDDOKZKNHLZHR-GASCZTMLSA-N 447.565 1.154 30 10 IDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C 1286794073 VPTAAQXUULBEJW-AWEZNQCLSA-N 446.512 1.366 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCO[C@@H](C)C2)C1 1286799453 WFUNCDRFKLRKTR-VQTJNVASSA-N 446.596 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286819298 GJEUUHYRXKPHEX-UHFFFAOYSA-N 438.575 1.796 30 10 IDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 1290836972 JCIKUBUNZTVJBV-HDICACEKSA-N 437.562 1.292 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2F)n1CC(=O)N(C)C 1291194864 GLRQNAJDPZCIKI-HNNXBMFYSA-N 449.494 1.549 30 10 IDEE C[C@@H]1N(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1291318024 BGZVIVRGWUXTEC-IUTYPILCSA-N 430.509 1.312 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1295173339 APTWOLVJTKMLTH-IBGZPJMESA-N 428.562 1.926 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1298128926 ZTZYLRRVIAFDEE-XLIONFOSSA-N 431.518 1.246 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1300125848 LWOYEXIPQPCJDD-XUVXKRRUSA-N 427.505 1.341 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1300338766 GIPOZJQYGDRATM-MRXNPFEDSA-N 449.556 1.553 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300489011 YVLAKNVGHHIMLR-QGZVFWFLSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1300496765 UWODINUPQCIDIB-IBGZPJMESA-N 447.605 1.965 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1300556846 NELRKADSCCJYCD-HUUCEWRRSA-N 427.621 1.200 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1300556932 OPTTWYFGDLDXKB-HUUCEWRRSA-N 425.505 1.787 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1300596055 KRIVSIDFNJOUIJ-HDICACEKSA-N 442.564 1.990 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CCC)C2)CC1 1300681955 FTACMOOTZOGSIR-LJQANCHMSA-N 436.564 1.413 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C(C)C)C(C)C)CC1 1300719508 DJTQQYJNVBJZKS-UHFFFAOYSA-N 438.580 1.820 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1300848275 CEYZYRAEKIMSJI-KGLIPLIRSA-N 448.387 1.756 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)C(C)C 1301366558 FCQVTEDXAYLJQF-ZWKOTPCHSA-N 429.569 1.206 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1301596802 ZERMKBMSBTZNSA-LPHOPBHVSA-N 444.623 1.863 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301630558 KOGUGEZDWWYOFB-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE COCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1301690936 KYCDODOHNRSPRI-VLGSPTGOSA-N 431.884 1.603 30 10 IDEE 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C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(c2nccs2)CC1 1359297073 DHYQMHFUZVFDEX-UHFFFAOYSA-N 426.550 1.759 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359345334 CAVASZMUIPWPGD-CQSZACIVSA-N 447.590 1.403 30 10 IDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)COCCO1 1360837244 NZJVLEUUKJMVAY-PXNSSMCTSA-N 431.518 1.246 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)s1 1451616445 KBCGBOQZSOYEAU-HNNXBMFYSA-N 432.589 1.181 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1454012866 NTSUMGXAXKWIHR-QGZVFWFLSA-N 432.496 1.880 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ncc(Br)cn3)C2=O)cc1 1478566962 CFPPFZYGLYEVAV-HNNXBMFYSA-N 429.278 1.711 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)C1CCCC1 1478899845 PABXGHAKBDBMCS-VQTJNVASSA-N 449.577 1.596 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCNC(=O)C(C)C)CC2)c1C#N 1492727655 CADRFLNEHCLPKP-UHFFFAOYSA-N 425.541 1.168 30 10 IDEE CCO[C@]1(c2nnc(N(CC)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1502660208 LFMOMQULYATHOI-LJQANCHMSA-N 437.522 1.314 30 10 IDEE COCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504853611 CXGASDJGHBWLKJ-QGZVFWFLSA-N 427.557 1.356 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1505313938 MERCGBCNERSYIY-LSDHQDQOSA-N 447.499 1.552 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1507660003 KLLPCFQISNICAB-KRWDZBQOSA-N 448.593 1.190 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)OC)CC1 1507734931 DFZIGPGRACNQRR-HNNXBMFYSA-N 425.489 1.675 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)F)CC1 1507791511 MTJSBKGTJSMGEO-WBVHZDCISA-N 426.512 1.785 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507849616 ZQRKTBWNQIQLII-MSYCTHLASA-N 447.580 1.874 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507959780 IFRNYRIANXKZAY-SFHVURJKSA-N 441.536 1.643 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1507962003 KEQFTEKUWYKBGE-GOSISDBHSA-N 430.553 1.803 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1508081310 WWBHVAUCOKWACP-PMERELPUSA-N 427.534 1.355 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1508090657 OYBJFTXICOGTIH-PXNSSMCTSA-N 443.596 1.227 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NC)CC2)nnc1C1(c2ccccc2)CCC1 1508096975 DUBUSORVEHPQNY-UHFFFAOYSA-N 437.548 1.512 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1509953138 KQOCNUKPQZRFOS-IKGGRYGDSA-N 425.555 1.504 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1510370366 JOHDTVVZAKFIMF-VLIAUNLRSA-N 429.456 1.393 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516968017 FKHXMZFXRCFMOQ-UHFFFAOYSA-N 433.520 1.355 30 10 IDEE COC[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1518707661 DAHVPOQTQLHXBD-ZWKOTPCHSA-N 447.547 1.923 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CCO1 1518942200 MAGNVOYPYOMJAP-UXHICEINSA-N 425.489 1.925 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1519078277 PNFHYRVOCOTNMV-GOSISDBHSA-N 433.534 1.779 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC(=O)N1 1519161757 MEMHTAPKGBADEH-GOSISDBHSA-N 439.520 1.792 30 10 IDEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1532472391 PSUMOHWTVOQIGG-IGWPVBGESA-N 448.497 1.903 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1539011191 AKIPIZPNGBQSLG-QWHCGFSZSA-N 442.467 1.690 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539132664 QFEFYWJZCJSDBE-FQEVSTJZSA-N 427.597 1.419 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539147852 DEOMDWKWHNUTFW-UONOGXRCSA-N 428.559 1.119 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539220365 REIQFTLNVARSTC-QUCCMNQESA-N 445.589 1.779 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1539222867 XUEYMHJJAOLHDO-GOSISDBHSA-N 428.562 1.682 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1conc1COC 1539334192 WJVIGMSWMJWKGO-UHFFFAOYSA-N 438.513 1.915 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1)c1cc[nH]n1 1539394896 QASZYFMQMXLZLQ-LJQANCHMSA-N 443.504 1.192 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ccc(C)cc2)CC1 1539431114 PCBMFUNAEAFVAO-GOSISDBHSA-N 446.577 1.031 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cc(C)no2)CC1 1539434971 ZQGBADRZLLUKLI-UHFFFAOYSA-N 440.529 1.449 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCC(C)C)CC1 1539446393 CIDLWYGICFWTLP-GHTZIAJQSA-N 437.610 1.123 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2(C)C)CC1 1539446625 HKJYHIOHDFBCNI-DLBZAZTESA-N 437.635 1.467 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCc2nc(C)cs2)CC1 1539459420 GTVONBZQMYHZSD-UHFFFAOYSA-N 441.605 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)N(C)C)CC1 1539488065 FXZWNNJMUFMOIY-UHFFFAOYSA-N 438.532 1.220 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1539526636 OAIVVKWFOKZQPT-UHFFFAOYSA-N 447.536 1.658 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539557068 KZDOGQLJCMJTBO-IFXJQAMLSA-N 435.575 1.824 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1540074504 ZCTYNDHDPTUOIO-SFHVURJKSA-N 431.562 1.687 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCCCC2)CC1 1540862158 SYRSOZLMLGEVST-UHFFFAOYSA-N 431.585 1.421 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1540862243 WFHRLAXAPPEUAU-QHCPKHFHSA-N 438.532 1.568 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccco2)C1 1540892194 HNNGMIHGLWKIPP-JXXFODFXSA-N 436.534 1.462 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](OC)C1 1540904302 LZDMAYDIDSZJNI-CQSZACIVSA-N 426.489 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ncc(Cl)n1C 1540907844 KOEJWZLQHLNUGV-CYBMUJFWSA-N 428.946 1.754 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C2CC2)ccc1F 1541945364 FYYZXWKSSHVKNS-GUYCJALGSA-N 448.524 1.682 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)cc2NS(C)(=O)=O)s1 1546155039 XZXICOBILZTOCB-UHFFFAOYSA-N 447.535 1.904 30 10 IDEE CCCN(CC)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547118370 GDTPSQQUCYLQAW-UHFFFAOYSA-N 435.536 1.945 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1548280381 INHBOZRVIFIJET-UHFFFAOYSA-N 447.490 1.357 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555270185 UWNGCTXBBQFUDF-INIZCTEOSA-N 439.499 1.565 30 10 IDEE COCC1=CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555318879 LAOZRXLRSSSQDL-VZCXRCSSSA-N 435.488 1.649 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ncn(C)c2Br)c1 1561965998 MZWIJCFCDMMTSA-UHFFFAOYSA-N 427.324 1.619 30 10 IDEE C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCN1C 1565833710 MSCBVITWZVLCRA-KXBFYZLASA-N 425.493 1.736 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)CCC1CCN(c2ccncc2)CC1)c1cc[nH]n1 1566948212 CHQXJBUVXXTGOB-UHFFFAOYSA-N 442.520 1.854 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 1570505350 AUTYJJSRQRCZOJ-WEYGHZABSA-N 438.553 1.958 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588074361 MEKOUIGGBOZIEU-MANSERQUSA-N 436.578 1.817 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588228388 FFJYQARYPUOENY-ROUUACIJSA-N 439.482 1.898 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2(O)CCC2)n1 1588722803 FPBXTTMJDGIVLE-SFHVURJKSA-N 428.537 1.570 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588899035 KXLLXEYUGTUMAU-MZNJEOGPSA-N 448.527 1.322 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1593729826 OBHUZNQFQHNNIW-UHFFFAOYSA-N 425.493 1.453 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nnn(C)n3)cc2)cc1 1593795520 XKCINMVIKIHWJK-VAWYXSNFSA-N 426.458 1.697 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1595761345 ZYNKCLGACYMXAC-CYBMUJFWSA-N 427.552 1.032 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1596781949 FPVICAYFGTUQFX-IXDOHACOSA-N 425.603 1.606 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc1 1598142999 XGSLPVFKSIXKOJ-QGZVFWFLSA-N 435.546 1.973 30 10 IDEE C[C@@H]1CSCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613017030 LYMVYGWBUIEHSU-YKHTYXQRSA-N 432.550 1.640 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCc2nccn2C1 1613595059 XIRGNNAMESHLAQ-DOTOQJQBSA-N 426.525 1.384 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(N(C)C)CCOCC1 1614028556 IAJAGIVWWBHZON-KRWDZBQOSA-N 439.568 1.328 30 10 IDEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)nc1 1616417077 SUIWBXLBGQOMRZ-OAHLLOKOSA-N 432.221 1.871 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1617369655 OSLXMVSLYNTIGM-UHFFFAOYSA-N 441.517 1.697 30 10 IDEE CC1(C#N)CN(CC(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)C1 1617628377 SCDRTOVMHDYVKK-FRKPEAEDSA-N 444.538 1.578 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1619951544 HIGRKFVXIGYCSA-HXUWFJFHSA-N 440.548 1.924 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCS(=O)(=O)C1 1620083462 YZNQWBLUFGIIED-QZWWFDLISA-N 425.555 1.565 30 10 IDEE C=CC1(CC(=O)NCC2(N3CCOCC3)CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 1626499604 DWUDBNWKLAUALO-UHFFFAOYSA-N 436.597 1.712 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1636660672 MBYQBOHDEYWBTP-INIZCTEOSA-N 435.502 1.372 30 10 IDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)C(=O)OC 1637697551 VUAKPRWNBUNBAM-IBGZPJMESA-N 430.482 1.815 30 10 IDEE CN1CCC2(CC1)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1638861684 DSPWTQXAHJQKQX-UHFFFAOYSA-N 448.589 1.609 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)c1 1638972414 PJVWPYJUFOBKBQ-LJQANCHMSA-N 431.466 1.842 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CC(Nc2cccc(C#N)c2)C1 1647932481 CRMFGCCVXBXKRS-IBGZPJMESA-N 429.521 1.846 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 1659797844 VOPZEKSDEIBTTC-PZJWPPBQSA-N 432.590 1.825 30 10 IDEE C=CCn1cc(CNS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)nn1 1669875088 DUPBJJSVQCDJKN-SFHVURJKSA-N 433.534 1.932 30 10 IDEE COC(=O)C1=CC[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1674408888 YMKVUNXYSRXJIQ-OAHLLOKOSA-N 426.452 1.959 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1677915058 XXDLEDJTXWEQFX-INIZCTEOSA-N 440.543 1.294 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)n1 1683349882 DRYSVCRALONASH-UHFFFAOYSA-N 436.560 1.945 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1684732054 PTUSUVYYQBGMEO-SFHVURJKSA-N 442.545 1.690 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1684835897 CITVNJGMKWLCOU-QFIPXVFZSA-N 429.565 1.513 30 10 IDEE Cn1cc(CNC(=O)NCC2(O)CCC3(CC2)OCCO3)c(-c2ccc(C#N)cc2)n1 1686078502 DTWXYFSLPSIAAI-UHFFFAOYSA-N 425.489 1.806 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCNS(=O)(=O)Cc1ccon1 1689854449 AIRXOGUWOBOSPJ-HNNXBMFYSA-N 446.508 1.574 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCS(C)(=O)=O 1690035587 DGNSLEOXNGNUES-UHFFFAOYSA-N 438.351 1.933 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccn(C)n1 1690061003 OHWXSGKGBWGSRH-UHFFFAOYSA-N 426.550 1.788 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1690175252 SOIKLUGTUCECNF-ROUUACIJSA-N 438.619 1.800 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690507606 QKUDAODAMASMCY-LAUBAEHRSA-N 429.525 1.307 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1690526858 FJXZYNIOAHBBHX-QZTJIDSGSA-N 438.598 1.250 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690743572 CZLMOQRDOFBRSK-MRXNPFEDSA-N 431.566 1.678 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1696462023 NAEJEKVTQHJFQY-VFNWGFHPSA-N 444.561 1.554 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1696653884 GNSAWADGOCZZSF-UHFFFAOYSA-N 434.447 1.393 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1696807927 SDHMNAVUXBHGOF-GDLZYMKVSA-N 449.602 1.989 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCOCC1 1698245135 AAQPKFMGJTXBFC-BBTUJRGHSA-N 436.532 1.556 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1698302261 GXPUFOKWLJFZRT-SFHVURJKSA-N 428.518 1.760 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CC(=O)N(CCOC)C1 1705544293 LEXQJHDFPBLUBB-KRWDZBQOSA-N 433.516 1.900 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS(=O)(=O)C1 1705600526 BQOLHLXWPKOMJV-LJQANCHMSA-N 428.562 1.427 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705632672 YEZXOSOEAJMAHR-INIZCTEOSA-N 441.502 1.056 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705747099 FDFVCQUBOFSFLO-FZKQIMNGSA-N 443.932 1.878 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OC)C1 1705937267 OOZGBDGFVXDPLT-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(N)=O)CC1 1705939901 PRPBBPKSUNDHBQ-UHFFFAOYSA-N 429.550 1.936 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1711409570 FRDMGYIIRXYOLR-QGZVFWFLSA-N 436.520 1.193 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@@H](C)O1 1712283851 HRJYFGSZPGHIPJ-XLIONFOSSA-N 441.532 1.988 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(F)F)C1 1712876970 YGMYKLFYWXRHOR-GOSISDBHSA-N 433.398 1.644 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCOCC1 1712913045 RVMSBFKLKHSSMO-VXPUYCOJSA-N 444.442 1.510 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722282320 CGFARBQSPGQAMI-IKGGRYGDSA-N 430.532 1.220 30 10 IDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1722356418 FWXGSMKEYRZZFY-QURGRASLSA-N 429.484 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCS2)CC1 1722452147 BQNUOUUCLJNLTP-FHWLQOOXSA-N 447.605 1.864 30 10 IDEE C=C(C)COCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722538126 LIYVQEFOARWGFZ-SIKLNZKXSA-N 435.569 1.432 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1722664468 AIXOGCJMQDZVCR-UHFFFAOYSA-N 437.548 1.972 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)C1 1722710821 OSAASHKIOIMZSO-UKRRQHHQSA-N 441.504 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722725698 QSADJSRJDXARHI-SJORKVTESA-N 437.566 1.263 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1722872409 QELYXSZUVGYLDG-FPCVCCKLSA-N 431.541 1.923 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722970230 YPQHPRQRKQUFBF-QHCPKHFHSA-N 435.532 1.838 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C 1728614118 CMDXZTPKIXINOA-INIZCTEOSA-N 430.516 1.889 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)C[C@H]1O 1729782306 DJZNDTSCGMJPTJ-HSALFYBXSA-N 438.532 1.517 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(C)C 1730955741 HUQABKYJKZZSMI-SXLOBPIMSA-N 432.569 1.994 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740625517 GQHNYOCLRUIBTI-QGZVFWFLSA-N 437.610 1.656 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1740702850 AKBKLVJJSOVFPV-FQEVSTJZSA-N 449.603 1.763 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1740762840 WFKJBAOBIFNTJG-BZSNNMDCSA-N 439.582 1.438 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740795898 HVJOZOXRENVKMS-JOCHJYFZSA-N 433.553 1.768 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCNS(C)(=O)=O)CC1 1740825961 VNIBWMBRYYSVPM-SFHVURJKSA-N 433.534 1.886 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCCCC1 1740899332 LLNNDKIDAUJXMT-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(C)(C)O 1741674246 AEDNHWCKBXTBDY-UHFFFAOYSA-N 443.527 1.915 30 10 IDEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1744185255 BNJPJUOKKQJBMT-INIZCTEOSA-N 446.577 1.838 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1=O 1748044568 CEEVBKDKXKJEJT-NRFANRHFSA-N 442.545 1.308 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCOCC2)C[C@H]1O 1748332781 GCTMTXNGOVJVNL-RTBURBONSA-N 439.516 1.994 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1748748150 SYEUPWYMKXUKJA-HOTGVXAUSA-N 425.489 1.713 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1748819304 MQVHUIHPQBXYFJ-IBGZPJMESA-N 445.589 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN(C(C)=O)C1 1748856021 QBNVSYZRSFGLJZ-GOSISDBHSA-N 438.557 1.601 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1748905246 APNCIFQZCOXIAY-AUUYWEPGSA-N 439.969 1.909 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1748929186 GDKSCIDJXSDQHQ-OAHLLOKOSA-N 438.579 1.078 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)[C@@H](C)CC)CC1 1749009065 LWBWEHXDAJVCSW-KRWDZBQOSA-N 426.569 1.375 30 10 IDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749434621 YPESLLMCMOQZNS-UHFFFAOYSA-N 439.545 1.892 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@H](C)O1 1749546167 GGLWSVMYTBAIDS-UQASEVPWSA-N 429.546 1.925 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1749666590 NGPIIBKCDYGPGP-CJNGLKHVSA-N 425.468 1.288 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1750059803 BVQMXHLGLVVYCU-KFWWJZLASA-N 434.522 1.324 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC=CCO2)CCO1 1750386726 MIDOQDYXWIJEOO-QZTJIDSGSA-N 442.907 1.935 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCN1CCN(Cc2ccccc2)CC1 1760094938 AYUVBUSBLRIBGU-FQEVSTJZSA-N 437.592 1.692 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COCC)cc1 1760176104 ZARHRNYMGFWJKT-IBGZPJMESA-N 447.561 1.265 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1760188415 KNTYBTITWHANOS-MRXNPFEDSA-N 447.952 1.460 30 10 IDEE C#CCSCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OCC)CCOC1 1760286857 XFRRSXUYVGYIDL-WFXMLNOXSA-N 436.578 1.681 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1760312774 DHZVGEXCJOHEEG-IAGOWNOFSA-N 434.541 1.676 30 10 IDEE C=CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760444822 RLLRZYIFXRNENM-QFIPXVFZSA-N 443.552 1.872 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)C1 1761541842 CCGBMEJLOGRZLU-JOCHJYFZSA-N 429.569 1.757 30 10 IDEE 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N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N3CCOCC3)cc2)c1 1858987661 HEWLXCCCFUWLQR-UHFFFAOYSA-N 442.497 1.261 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(CC)nn2C 1864323803 SNUAQFWSWBZFEX-SFHVURJKSA-N 439.516 1.494 30 10 IDEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CCO)cc1=O 1870387551 IZQYKCTVCFTIQJ-UHFFFAOYSA-N 435.546 1.117 30 10 IDEE CC(C)Oc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889679256 IMSSNVBISQOGTQ-UHFFFAOYSA-N 449.617 1.894 30 10 IDEE CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(C5(C#N)CC5)cc4)CC3)nn2)CC1 1890306448 PFZFIOBGUXEZGX-UHFFFAOYSA-N 431.544 1.746 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010522167 VDVOGSQDEWOBLH-CVDCTZTESA-N 428.533 1.842 30 10 IDEE C[C@@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248401884 PFQYDTXBZCUOFZ-DGCLKSJQSA-N 441.359 1.505 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2255594281 IZTOOBNOUDIPMI-ZDUSSCGKSA-N 435.334 1.101 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626055 AJKQYCCJTANUAX-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE Cn1cc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653967 QBDURTUXGDFRIZ-KBPBESRZSA-N 434.346 1.895 30 10 IDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256927020 GYRKTEVZMSLCPJ-AWEZNQCLSA-N 440.277 1.965 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2267260325 MLTPBQBNRLNBPD-MRXNPFEDSA-N 449.357 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267272455 ZTMPVKUHVSXLQO-UHFFFAOYSA-N 446.353 1.945 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2267498077 RWWYASRILVLLJV-IIAWOOMASA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2303950982 PSTSASZAHVIFGV-UHFFFAOYSA-N 426.319 1.025 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)n1 2334263665 ZPFCCONKANIEBV-CWRNSKLLSA-N 446.357 1.940 30 10 IDEE COc1nc(N(C)CC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339785893 DDGSAPMVJYHGKS-UHFFFAOYSA-N 449.357 1.807 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2C1=O 14853839 OWUUEBVVKUXFNG-UHFFFAOYSA-N 439.493 1.615 30 10 IDEE C#CCNC(=O)Cn1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1=O 19022534 DTHMAESXDWNEJV-UHFFFAOYSA-N 449.532 1.989 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 460810265 QKMKVXPOWHIAOK-SJORKVTESA-N 435.554 1.262 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1cnc(N2CCOCC2)c(F)c1 462595035 OHOJJVNEXQGNCQ-UHFFFAOYSA-N 437.479 1.838 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)nc1 474358933 ULHOJTDMERGNTE-GOSISDBHSA-N 438.553 1.354 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1C#N 478707780 WKHWGQNJEDNRPE-UHFFFAOYSA-N 431.562 1.833 30 10 IDEE N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 501893294 SEULEUVLTGFVSQ-LJQANCHMSA-N 431.539 1.588 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)cc2C1=O 512990335 DILWJKSRZGYOCD-QGZVFWFLSA-N 433.464 1.878 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@@H](C)C#N)C3CC3)CC2)cc1 533137159 AKRNIHSLOKHNGB-INIZCTEOSA-N 432.546 1.346 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC1 546117780 ZGIBHOMOFXLXBG-UHFFFAOYSA-N 449.353 1.535 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 555253578 LYSDZIZYGHJVGZ-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE CC1CCN(c2nnc(S(=O)(=O)Cc3ccnc(C#N)c3)n2C[C@@H]2CCCO2)CC1 618559967 YUWXEMYYAASVKR-SFHVURJKSA-N 430.534 1.934 30 10 IDEE C#CCN(C(=O)[C@H](C)Sc1ccccc1S(=O)(=O)CCC)[C@H]1CCS(=O)(=O)C1 730536444 MLGJPXFLEMFFKP-HOTGVXAUSA-N 443.612 2.000 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COC(=O)c2ccc(C#N)nc2)c1 734602164 ZJZUFAMTYQOROT-UHFFFAOYSA-N 446.485 1.788 30 10 IDEE NS(=O)(=O)c1cccc(NC(=O)C[C@H]2S/C(=N/CCc3cccs3)NC2=O)c1 743277836 VWXSBINHFRTRBU-CQSZACIVSA-N 438.556 1.554 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(OCCOc3ccccc3)cc2)CC1 765772193 QCIYLQBFFLJGMN-UHFFFAOYSA-N 435.524 1.581 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(-c2ccc(C(F)(F)F)cn2)n1 768155844 WEJOVUQBNRPVHF-OAHLLOKOSA-N 447.421 1.732 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n(C)n1 768313914 LJZKGEMLCRXPKG-HOCLYGCPSA-N 444.561 1.331 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cc(Br)sc1Cl 771178031 CNCLHHHROLKMGA-ZRDIBKRKSA-N 440.728 1.969 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2cccc(Br)c2)c1 771205071 QPACCXLCJYLKKL-QGZVFWFLSA-N 437.315 1.824 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1=O 771414250 YXUUXZAMABBWGQ-MBSDFSHPSA-N 441.532 1.463 30 10 IDEE C#CCN(C(=O)c1cc(I)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 772118512 QHBXVEDHGUIPLH-SECBINFHSA-N 439.221 1.832 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CCOC 772900670 NKUAWYCMLDNMJM-UHFFFAOYSA-N 434.587 1.240 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1C1CC1 772912280 VXVKTPZAQACFEQ-UHFFFAOYSA-N 446.598 1.555 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1OC(F)F 777943135 UHAUDODTYSBUJY-UHFFFAOYSA-N 446.479 1.178 30 10 IDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 780292166 GTFYNWFZJJXTLI-UHFFFAOYSA-N 446.510 1.099 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 785282246 LVZYUWHKQAJSGA-DNVCBOLYSA-N 440.493 1.183 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)CC2)c1C#N 788114430 PHYURAGIXSDNBT-TWGQIWQCSA-N 428.518 1.334 30 10 IDEE C=CCCCNC(=O)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 793832360 YIXJDSCDXFRZNW-UHFFFAOYSA-N 426.496 1.641 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)=NO1 798989961 DUOAUNVOQQMQHT-IRXDYDNUSA-N 441.488 1.839 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCc3ccnc(C#N)c3)ccc2F)CC1 801506962 BYBFPZWCGWAGEC-UHFFFAOYSA-N 446.460 1.302 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 805591680 XWTOFOJGWJLCDF-RBUKOAKNSA-N 446.523 1.540 30 10 IDEE C[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 807802504 YBIYYDSAIKOOEE-DCGLDWPTSA-N 445.463 1.777 30 10 IDEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)nn1 811181114 UZSJIUBMGUXOMV-RTBURBONSA-N 443.435 1.475 30 10 IDEE COc1ccccc1NC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084033445 XHGWENFSZQVRFJ-UHFFFAOYSA-N 444.521 1.796 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1116542278 QJWNXEFRHXYUKE-HNNXBMFYSA-N 443.953 1.576 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnn(C[C@H](O)CO)c2)cc1 1141967122 QPCBRPCTGYUTJG-BUVGWWEQSA-N 449.533 1.082 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1152605444 LNASJYLJCYQXIZ-WMZOPIPTSA-N 427.505 1.720 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(Cc3nn[nH]n3)CC2)CC1 1175845797 QLWMFCWEKVFGFS-IBGZPJMESA-N 426.500 1.002 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)c1 1184131136 KEYIGFJODAVBHI-UHFFFAOYSA-N 443.529 1.968 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F 1208473106 CXOARJRRVCHULN-RYZVSIALSA-N 446.494 1.953 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1286279523 VYINUBGCOIVIIP-CHWSQXEVSA-N 427.477 1.703 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1286396884 WYZBISBPQDHTSD-QGZVFWFLSA-N 425.599 1.072 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2noc(CC)n2)CC1 1286491234 JOWQLQPTMRUHQD-UHFFFAOYSA-N 448.531 1.418 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(C)nn(C)c2C)CC1 1286494111 RVMIIBMILGCBAX-IBGZPJMESA-N 439.564 1.537 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286509131 VTHDNIBPVBSORB-FVJLSDCUSA-N 433.578 1.540 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286790215 KXBFORUIQCDBHD-IBGZPJMESA-N 438.532 1.151 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCSCC2)C1 1286802886 FBHXPXJDWPCUAW-WIYYLYMNSA-N 437.610 1.760 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286832840 OXTVDGZDTKBMTB-IBGZPJMESA-N 448.637 1.836 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCOC)CCOC1 1296652350 RKJRYDGXCUAYGL-JOCHJYFZSA-N 441.536 1.560 30 10 IDEE CN(C)C(=O)O[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1298260537 DJNNYIQFURUWQE-HNNXBMFYSA-N 436.534 1.585 30 10 IDEE O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)N[C@H]1CCCN(O)C1=O 1298541519 JDNKCVAXMMOMCI-VIFPVBQESA-N 443.279 1.790 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1300488105 AUBXEEPMJUAMKC-RBUKOAKNSA-N 443.529 1.105 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1300673613 RSVWHIAOLBLSAW-UHFFFAOYSA-N 447.486 1.482 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1300675777 VOCOPJVALGHLBZ-UHFFFAOYSA-N 446.511 1.870 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300988917 LHBQJCCFLDZWIK-IRXDYDNUSA-N 444.540 1.644 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1300990945 JHUVMIKBEULOIR-ZWKOTPCHSA-N 440.552 1.717 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1301086946 PYLNQBJGDXUWEZ-KSZLIROESA-N 439.582 1.583 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1301447510 ATNQVMXDMXNHEI-OYHNWAKOSA-N 439.520 1.718 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)S[C@@H](C)C1 1301509262 DWANEERKGUGZDE-KBPBESRZSA-N 434.591 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1301586945 KTBVRBGBMGJBDH-UHFFFAOYSA-N 446.577 1.312 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1301851952 APOWWEMABVKVLS-CVDCTZTESA-N 438.532 1.975 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1CCCO 1302644110 LWFWUYMIMGSSIM-GOSISDBHSA-N 425.537 1.783 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)OC(C)(C)C)C2)c1cc[nH]n1 1302898867 ZUCFJMNKHHSMQB-BPUTZDHNSA-N 449.508 1.598 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCCCCC2)cc1 1302988974 FTYAVKWPKHYCBB-LJQANCHMSA-N 435.532 1.921 30 10 IDEE CC(C)OCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1303566755 JZKDZLRIRSPRHH-SIKLNZKXSA-N 432.569 1.920 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)N(C)C 1305000744 KOWGGTLOFUAPMO-KBPBESRZSA-N 440.932 1.421 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCc2ccccc2)c2ccccn2)CC1 1313156248 OIUDCVGYOINPNK-NRFANRHFSA-N 441.557 1.550 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314810711 UTFKBHILIIDTSU-XSAFGROZSA-N 430.509 1.171 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1314814086 PYQMCNWJBHDXTG-QBEKEKFNSA-N 437.504 1.263 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1315826996 VUKDTJBQYPYNHS-KRWDZBQOSA-N 430.484 1.818 30 10 IDEE COCCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1357714192 BRUIZJJJJODEFF-QGZVFWFLSA-N 430.534 1.172 30 10 IDEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358915520 FZTBBCAZJZAFFE-UHFFFAOYSA-N 448.571 1.794 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1358937102 IJZHLPMTKYNPTE-CALCHBBNSA-N 425.537 1.883 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358963661 LWXISVAPVJTKHS-PKOBYXMFSA-N 429.546 1.437 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359037600 PKPRAUXFWZKRTK-QFIPXVFZSA-N 437.592 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccco2)CC1 1359046224 JIFXPARIAUHIBW-XMMPIXPASA-N 448.527 1.730 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](COC)C1 1359054799 IHOFNMYPCKFXKB-GJZGRUSLSA-N 433.534 1.612 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359056897 NMQMULBTRMIWEJ-CVEARBPZSA-N 439.607 1.042 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1359098221 YSJXKLZZTDPLEK-QAPCUYQASA-N 432.550 1.730 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1359105435 OPEKMRSHPDBYRC-ROUUACIJSA-N 446.596 1.730 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1359245216 HAOHUVJJTKFYPP-HNNXBMFYSA-N 442.586 1.864 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1359274490 OVZWCSFUGXGJBI-XMMPIXPASA-N 438.576 1.816 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1359301553 BHZOIUKPXZFZNN-UHFFFAOYSA-N 444.486 1.556 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1359329421 IMGCIQMVNIFTPS-OAHLLOKOSA-N 431.518 1.913 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1359335870 XHVYGEKWIWOHPS-SFHVURJKSA-N 447.517 1.195 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCSC1 1503108117 CMTDZULKNSYXQD-HOTGVXAUSA-N 428.566 1.944 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(CS(C)(=O)=O)CC1 1507532109 GCTBHJURWGGZHR-CQSZACIVSA-N 440.529 1.877 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1507534039 QIBSYAPEKADLCV-JKSUJKDBSA-N 433.516 1.802 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1Cc1cn(C2COC2)nn1 1507672858 KBVWLKQIDDBZAC-UHFFFAOYSA-N 431.500 1.840 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(NC(C)=O)cc2)CC1 1507727210 ORZMGNMNOZXTFW-UHFFFAOYSA-N 449.559 1.357 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2sccc2C)CC1 1507731432 IMJIIFFLXZIVFV-KRWDZBQOSA-N 433.603 1.548 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1507739435 PXXBKBDDKHAWID-SJLPKXTDSA-N 430.553 1.053 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507753501 ODANCGZWXIZEGS-INIZCTEOSA-N 430.578 1.262 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1507821288 YEBSNJZPKIOZEQ-GJZGRUSLSA-N 449.524 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508080609 PZVPWDBSNZPVAU-UHFFFAOYSA-N 437.552 1.248 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1508084410 NVYUJYSAHVAVEU-UHFFFAOYSA-N 435.532 1.615 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C(C)=O)CC2)C1 1508116810 JGQDGRLGASVXGW-HXUWFJFHSA-N 439.564 1.594 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1519594929 VCOXCICVUQQXSC-MOPGFXCFSA-N 444.561 1.761 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1521082168 DRZBUNTWXGPVOU-ZWKOTPCHSA-N 426.502 1.513 30 10 IDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1525109229 JQNIPTYKUHIAMP-INIZCTEOSA-N 430.448 1.967 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539079329 SAPBFPKFROXVRQ-UHFFFAOYSA-N 447.609 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](COC)OC)CC1 1539477571 RCUSXQYIPHFCBM-SFHVURJKSA-N 426.521 1.276 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539830292 RTMLVMVPYIFZBA-ZZEZOPTASA-N 441.536 1.879 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1540901847 QZLUGBXITRAAIH-ARFHVFGLSA-N 439.582 1.470 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC1(O)CCC1 1541910660 ANUBUHCJMKESPK-OAHLLOKOSA-N 432.550 1.701 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ncccn2)CC1 1542527788 ZOARPJNIHJEQGN-GOSISDBHSA-N 430.553 1.412 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](COCCOC)C1 1547630437 VTYNWZZRWKMTAJ-SFHVURJKSA-N 436.520 1.966 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1556635273 DEWDQCLIAVXIHT-JFVSRZABSA-N 428.436 1.664 30 10 IDEE C[C@@H](CC(=O)NCCc1cn(C)c2ncccc12)/N=C1/NS(=O)(=O)c2ccccc21 1557984761 DNLJHANULGQTEN-AWEZNQCLSA-N 425.514 1.749 30 10 IDEE N#Cc1ccc2c(c1)N(C(=O)C1CCN(S(=O)(=O)c3cccnc3)CC1)CC(=O)N2 1583197489 FIKRDOXWDXECEG-UHFFFAOYSA-N 425.470 1.339 30 10 IDEE C#C[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F)C1CCOCC1 1585148571 CPLYFCRKIGSAFH-IRXDYDNUSA-N 428.551 1.770 30 10 IDEE C#CC[C@H](CCOC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1586377885 RURXICBOHZCIME-LJQANCHMSA-N 449.573 1.153 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1588049948 OCEAUHSGJNFWRN-GOSISDBHSA-N 433.578 1.575 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1588085113 ZMNMIUFLBFVZLC-OTWHNJEPSA-N 448.637 1.718 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cc(C)nn1C 1588637642 IHKFMCCCEJDWHB-UHFFFAOYSA-N 432.488 1.770 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)CC=C)CC1 1588763339 VFTMKWBXEDHCCU-UHFFFAOYSA-N 433.965 1.955 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)C(C)C)CC1 1588954639 JWAJFHVVMPXUNV-UHFFFAOYSA-N 437.548 1.002 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589054103 YHAWFBMMUACWGU-UHFFFAOYSA-N 448.618 1.923 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1594820311 ZKSWIGKFOLHBLM-NRFANRHFSA-N 431.562 1.872 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC=C 1594943347 PODYXHSEMSOQPR-UHFFFAOYSA-N 438.579 1.461 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595523104 PSRMKKNORXRFGS-KSFYIVLOSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccs2)CC1 1595562243 REJLJLITCIPJEJ-UHFFFAOYSA-N 437.573 1.950 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1595705650 CQRNFJNRXAZSQR-JLUOLNIDSA-N 435.488 1.648 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)s1 1596232306 UXRSZIQIQDMTKG-HNNXBMFYSA-N 425.576 1.520 30 10 IDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1596977253 GFYBYQKOLUKLMZ-LJQANCHMSA-N 427.530 1.762 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1617908882 WVKXMTWUPIFRCC-GOSISDBHSA-N 432.550 1.572 30 10 IDEE C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1618518694 CZBBHNOATOLSQA-QDYJPZLASA-N 432.274 1.681 30 10 IDEE CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1620197603 GIBOYEHMUFPWGH-ZNMIVQPWSA-N 441.565 1.357 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 1625046925 BSSHLOSNHHTILP-UHFFFAOYSA-N 431.470 1.703 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 1625160876 OOMLMHNCGFBFJQ-KESKLVDESA-N 435.424 1.185 30 10 IDEE C=CCN(CC(=O)OCC)C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1632013925 DENCTFFCFNDHSV-UHFFFAOYSA-N 431.493 1.988 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634188057 MMFXBZDRFSAOCM-WMZOPIPTSA-N 433.534 1.024 30 10 IDEE O=C(C#Cc1ccc2c(c1)OCO2)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1636510805 BACVEIVNTXFRPI-BEFAXECRSA-N 438.402 1.841 30 10 IDEE N#C[C@H]1CCCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1637736446 DUVVOWQXBJZOHA-OAHLLOKOSA-N 432.502 1.531 30 10 IDEE COC(=O)C[C@](C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 1638095066 GSRCXXMQNYIVEF-NRFANRHFSA-N 445.497 1.440 30 10 IDEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2n[nH]c(CCCNC)c2C#N)cc1 1638117013 JFYDLMZUXGOWAQ-SFHVURJKSA-N 442.545 1.986 30 10 IDEE CCOC(=O)[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@@H](O)c1ccc(Cl)cc1 1641013731 QRHGTBADSLBJIU-BODOZKESSA-N 435.864 1.338 30 10 IDEE C[C@H](CC(=O)N1CCOC[C@H]1CC1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1653303770 CSLQULIJYQBPDB-NVXWUHKLSA-N 435.546 1.548 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 1661270291 YQZWLAHOIGJUGS-UHFFFAOYSA-N 449.510 1.580 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2COc2ccccc2)CC1 1666243382 JTLJPQROQGTPML-UHFFFAOYSA-N 428.514 1.883 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 1670187140 HPQZERIRLKDHHJ-INIZCTEOSA-N 433.530 1.902 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCOC4(CCC4)C3)CC2)cc1 1682697273 CSKYNRFZPSAYFM-SFHVURJKSA-N 432.546 1.923 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1689851836 WDZXEDUEQXYGCB-JKSUJKDBSA-N 439.582 1.895 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689992486 LFYNSKKWQBCFKG-RXVVDRJESA-N 429.546 1.052 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCCC2(C)C)CC1 1690132830 XWEDKTRTJIRZJL-QHCPKHFHSA-N 425.581 1.836 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](COC)C1 1690254979 MNYXHOACURYIHO-DEPCRRQNSA-N 436.553 1.835 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690385893 NFIMACGCHQYHTC-YYVVQBKYSA-N 442.520 1.685 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1690577697 LLXPYOXTBVBBIG-HNNXBMFYSA-N 433.563 1.726 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CC 1690621879 CALYEXVIBPUPSD-QZTJIDSGSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccccc1 1690670435 BOCVRRWDJSGAOX-ZWKOTPCHSA-N 429.546 1.824 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)S1 1693782887 FOWACSPEESEYLG-SXGZJXTBSA-N 447.586 1.697 30 10 IDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)Oc1cccc(F)c1 1694396977 HFBRJTUIYFHFHF-BPQIPLTHSA-N 428.468 1.955 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1697189994 IXUFZRXIRRULGO-ZIAGYGMSSA-N 426.468 1.798 30 10 IDEE COC[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697875191 BPVXKXCXUBMZND-UAFUQJIBSA-N 437.504 1.263 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](COC)C2)cn1 1698072046 AIFPXOXJRURQNI-FQEVSTJZSA-N 437.504 1.560 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCS1(=O)=O 1705498481 WTBCAMGOIKNVAC-FUHWJXTLSA-N 426.546 1.942 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2COCCO2)c1 1705505415 NNZHNZSQGSCLKX-IBGZPJMESA-N 435.488 1.150 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705568672 SOEUAWMUJRVWTP-XMSQKQJNSA-N 446.573 1.687 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705604936 WZCUPTKKFIRYBW-LSDHHAIUSA-N 442.586 1.651 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1705661536 DQCRAAMCRVKBHX-PMACEKPBSA-N 432.638 1.753 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCC=C 1705674244 CUDCMFPACHMNSL-FXAWDEMLSA-N 437.566 1.196 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1705977564 BQAOUCXFPBWBCJ-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1706462086 BETIUGUSOFRTOS-UZLBHIALSA-N 436.582 1.425 30 10 IDEE COc1cccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1711918716 SPWIKBDOUSFHGW-APFMSCDFSA-N 438.488 1.705 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)F 1712007191 DTQJBULUEQUOAD-IBGZPJMESA-N 438.410 1.689 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1712711186 DPGUQSSESOHTEU-ROUUACIJSA-N 430.534 1.514 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1722308399 MBXWOZYMAITETD-MRXNPFEDSA-N 436.582 1.141 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722368144 ZBNBOZDAJGTJQS-SJLPKXTDSA-N 440.566 1.055 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCCO1 1722420520 HMEQKTYCYZWKFV-QGZVFWFLSA-N 446.577 1.812 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C 1722517997 RPZHHVHVPJPEDJ-ABSDTBQOSA-N 441.598 1.565 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722603238 HGLAPNAUMPCWSO-CVEARBPZSA-N 445.611 1.055 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1722692589 SEYSZALGRJEQQZ-LHEBDHONSA-N 446.577 1.653 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722703033 UBDYZFQMJKJHLL-GOSISDBHSA-N 430.553 1.661 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCOc1ccc(F)c(F)c1 1723910835 GEWKNGPQGHAZFS-OLZOCXBDSA-N 442.492 1.984 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)C1 1726776285 TXGMELFEXGDOMM-IBGZPJMESA-N 426.521 1.975 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c(OC)c1 1730151367 BCQVHQJEXAUPIR-UONOGXRCSA-N 436.538 1.692 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCCCO)cc1 1731185307 XSKSARANYBPZLW-IBGZPJMESA-N 426.521 1.412 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1740625204 DQDFKAMWYVSHSY-IRXDYDNUSA-N 426.608 1.940 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740628668 SHUHBWWXBXENDW-SLFFLAALSA-N 449.621 1.877 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1740693063 SMCGCJAQCGTJBX-AUSIDOKSSA-N 446.596 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1740703067 FILFZLQQUFDFET-OAQYLSRUSA-N 430.597 1.689 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740721036 VESPSBWAILKRFS-SFHVURJKSA-N 430.622 1.730 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1740932068 GFCXELUPAJOZHW-SFHVURJKSA-N 448.549 1.241 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCC(O)CC1 1741369813 FPPPRJRDAMZQJV-UHFFFAOYSA-N 438.580 1.842 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(COC)CCOCC1 1748784485 NVTCSYBPXFYWSW-UHFFFAOYSA-N 446.577 1.751 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748819716 SEPQZGNOGCWISU-INIZCTEOSA-N 435.575 1.176 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1748821406 QFXGMHDHJUPESF-GOSISDBHSA-N 448.593 1.439 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)F)CC1 1749009488 JOSYVGIONVRAMV-INIZCTEOSA-N 425.480 1.420 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749133068 HFGXGUFOSGLKBY-VQIMIIECSA-N 425.537 1.642 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749331009 BKQKUIIISZENOA-FQEVSTJZSA-N 447.517 1.805 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749354633 VPUVWFXXIPNFPC-UONOGXRCSA-N 433.600 1.114 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2CCOC[C@@H]2C1 1749679749 AKUOJCGLZVDWOE-IBGZPJMESA-N 440.548 1.243 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1749755567 JORQBDQAWTXALA-OAHLLOKOSA-N 427.596 1.158 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760143346 CWCGCPMAIUZJJQ-UHFFFAOYSA-N 436.516 1.596 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1760257537 YSBNWKRDTVLASS-NTKDMRAZSA-N 439.560 1.787 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)C(=O)NC)CC1 1760263973 WSVKJGQMIMZEEM-QZTJIDSGSA-N 430.597 1.724 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(OC)c2)CC1 1760268013 AIMFAEAQRVRUSZ-UHFFFAOYSA-N 445.527 1.952 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1760515583 DZYSDKQQNQRZEV-UYAOXDASSA-N 426.565 1.949 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@@H]1CCCO1 1761478633 NQPRXHLAKJOWFY-WBVHZDCISA-N 440.570 1.214 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1765589991 VHFISQJMDHLJMG-QZTJIDSGSA-N 435.532 1.694 30 10 IDEE CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cn1 1766295449 DXQSHVGDQJEZQK-JXFKEZNVSA-N 448.524 1.854 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1766879990 GZKVKMIEFUXSKC-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CCOC1 1768212801 CWYZWYSNGMVQNG-QYWGDWMGSA-N 447.561 1.880 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(C2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1768522308 GWHVFAKJYOQPJP-SFHVURJKSA-N 444.561 1.963 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1772566743 OTINBOKALRUUNI-UHFFFAOYSA-N 436.516 1.970 30 10 IDEE COc1ccc(S(=O)(=O)C2CCN([C@H]3CCCCN(C(=O)CC#N)C3=O)CC2)cc1 1853990973 HXXKXLSHIUUGDD-IBGZPJMESA-N 433.530 1.755 30 10 IDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@@H]1CCS(=O)(=O)C1 1854340554 ZTQIXFRYKXBMHQ-HNNXBMFYSA-N 437.949 1.904 30 10 IDEE C[C@@H]1C(=O)N(C(=O)COc2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854645711 KKTZRYBNXNVSQK-CQSZACIVSA-N 431.445 1.524 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864895020 PPIXOOGGNLQEPV-INIZCTEOSA-N 441.444 1.659 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(Br)c1 1874434263 WFONFPILDDLQFJ-CNHKJKLMSA-N 426.296 1.824 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1985007878 RMMDBXZNOLTDTG-JONQDZQNSA-N 425.526 1.683 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247906725 PKALASPKUVDQDF-IBGZPJMESA-N 441.359 1.448 30 10 IDEE C=C(CS(=O)(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2)B1OC(C)(C)C(C)(C)O1 2247962355 NVBQDSSTVWXLSN-STQMWFEESA-N 438.277 1.741 30 10 IDEE C=C(CS(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)B1OC(C)(C)C(C)(C)O1 2247962494 ODKJXZGXVHAEES-LJQANCHMSA-N 436.383 1.994 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)CC1 2255815500 OKPMGTWWHYLDAQ-UHFFFAOYSA-N 434.346 1.754 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255817043 OXPVUIVTSWGWLM-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(OC)C(=O)OC(C)(C)C 2255831184 RGCQYENEHSVRRV-UHFFFAOYSA-N 438.334 1.731 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255879742 UHKZBCKJNSWECC-MIFYACCESA-N 429.326 1.976 30 10 IDEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256613935 KSAZGMXHFAXCFN-QGZVFWFLSA-N 434.342 1.830 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256620858 NURDLAKARCQEGS-LSDHHAIUSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267097414 OIIIXFKLGIEMKI-RXSFTSLZSA-N 448.329 1.263 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127920 MJPPLOYGKGSBOX-OALUTQOASA-N 436.365 1.923 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)(C(N)=O)C1 2267587278 VMZWXMUWEYAUCY-UHFFFAOYSA-N 445.325 1.190 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)nc2)OC1(C)C 2267596630 PDKLPPGHOUHQPM-FQEVSTJZSA-N 436.365 1.585 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1CNC(=O)OC(C)(C)C 2267606121 SRNWAVHEWROHEG-KGLIPLIRSA-N 449.361 1.347 30 10 IDEE C[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2271459929 PWGKTYKXEYOEMT-INIZCTEOSA-N 449.357 1.595 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC[S@]1=O 2282306901 ULJOQOIVLCKWHH-REFGNXHDSA-N 439.817 1.842 30 10 IDEE C#Cc1cccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 2286047530 ZAJOXIZZLZTBSC-IBGZPJMESA-N 430.482 1.555 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCCC2)cc1 2297646608 POQAMYMUFVDMOE-AZUAARDMSA-N 426.498 1.786 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)n1 2352397332 HNHRAGBOJQKRIW-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/c4cccc(Cl)c4)n3)n2C)n(C)c1=O 21081172 JOUNPQQWGVRTFO-UFWORHAWSA-N 445.896 1.339 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)C1 22850743 QUMWFTLBVLPBJK-HSZRJFAPSA-N 427.593 1.539 30 10 IDEE CCOc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443869 TZNJSRDWSZHFEX-CVEARBPZSA-N 436.472 1.094 30 10 IDEE CCN(CC)c1ccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254491362 JJEVRHORUMNGOE-CVEARBPZSA-N 439.559 1.999 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 409814494 XRIAYUVHKWDTQF-SMDDNHRTSA-N 436.353 1.317 30 10 IDEE CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431225245 QUZXRJDNQYLTJT-UHFFFAOYSA-N 433.599 1.944 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)n1 462728258 ZFHAOMIPMAFEMG-UHFFFAOYSA-N 439.426 2.575 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C1CCN(c2cnccn2)CC1 468898520 GLUHTSQWMFNXNA-HNNXBMFYSA-N 428.518 1.142 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 475849941 CVNKOMPMUTYKKR-UHFFFAOYSA-N 426.502 1.748 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1C[C@H]1CCCO1 514658635 QWZLSDAWYLMYKF-CYBMUJFWSA-N 437.443 1.357 30 10 IDEE COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc1 541082040 STQOXPFCEDYJGW-UHFFFAOYSA-N 438.505 1.669 30 10 IDEE CCOC(=O)c1sc([C@@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)nc1C 541682226 SCSANXWQLLTWNF-CYBMUJFWSA-N 446.533 1.796 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 546697819 JYLLROXYJAOVSC-KRWDZBQOSA-N 437.562 1.365 30 10 IDEE COc1cc(CNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)ccc1C#N 555121046 PEJMGGSMBHPKLH-OAHLLOKOSA-N 429.454 1.483 30 10 IDEE COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCC2)c1=O 562385343 UVGQOEDCLWRHIZ-UHFFFAOYSA-N 426.542 1.740 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)[C@@H](CC)C(=O)OCCOCC)cc21 586315039 UFZOTQFWPFSQBM-WWOZWPLTSA-N 437.514 1.888 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)cc2C1=O 612157903 SOVWPEAQJHFPPA-HXUWFJFHSA-N 432.480 1.453 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670211005 HFKACUUWJFPMHA-YLJYHZDGSA-N 445.612 1.761 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H](C)c1cccs1 727416949 APOAYHBATHSPEZ-ZDUSSCGKSA-N 429.523 1.439 30 10 IDEE COCCNC(=O)CSc1ccccc1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734292784 WAOGAPICDHAZAI-UHFFFAOYSA-N 447.538 1.840 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735295365 USQKBEUARKYTHT-UHFFFAOYSA-N 437.477 1.640 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 742279155 RNSCBWPCNQFIEC-SNVBAGLBSA-N 427.287 1.713 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1C[C@@H]1CCCO1 752192899 BNCJDXAIHGGYKZ-AWEZNQCLSA-N 446.598 1.527 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1-c1ccccc1C 753361080 YIZSYVPIXWWNFT-UHFFFAOYSA-N 448.504 1.127 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CCN1C1CC1 768720063 GFCZJRNCCZNENI-CYBMUJFWSA-N 433.394 1.423 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774251100 MYRFUJLETQWQPI-ROUUACIJSA-N 435.546 1.110 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 774261737 DFMXCDVQZUHVGB-CJNGLKHVSA-N 427.885 1.416 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 781649565 SBUSTOFIODRMEB-SFHVURJKSA-N 448.548 1.999 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 788332694 UEUKMLFJIACTDH-UHFFFAOYSA-N 435.575 1.612 30 10 IDEE CSCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cc(Br)nn1C 789999473 DXFXBYBCVVBVCR-UHFFFAOYSA-N 441.384 1.987 30 10 IDEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)n(C)n1 790027027 QAANELMQQWNAIS-INIZCTEOSA-N 434.591 1.990 30 10 IDEE CSc1c(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1C 791779152 XOBVDKFPDQLLDI-OAHLLOKOSA-N 428.474 1.721 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CC1 795025599 ADRHNBBQRSJKME-PKTZIBPZSA-N 438.572 1.791 30 10 IDEE C[C@H](C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)n1cnc(C#N)n1 798743222 ZYNUMOUHOIMWBT-LLVKDONJSA-N 438.366 1.370 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)=NO1 798989959 DUOAUNVOQQMQHT-DLBZAZTESA-N 441.488 1.839 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 800959343 YINXRKDBCZJXHR-DOTOQJQBSA-N 439.534 1.109 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCCOC3)C2)cc1 806219344 HPFYWTYWZIBXOT-WDWWVRLLSA-N 436.534 1.913 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)Cn2c(O)nc3ccccc3c2=O)c(=O)c1C#N 816409738 AFDJVZYAGMIYPI-UHFFFAOYSA-N 444.245 1.285 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCc1nnnn1-c1ccccc1 918818822 DMQGULABRHPGDB-UHFFFAOYSA-N 440.485 1.267 30 10 IDEE Cn1cc(I)c(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n1 1129101336 QEDVSJYICUOAFK-OAHLLOKOSA-N 432.262 1.903 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCS(=O)(=O)CC1 1136108119 ZIWJTYJXXJKORJ-UHFFFAOYSA-N 448.545 1.139 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1 1136570510 JRHHZIXNUMHFDP-UHFFFAOYSA-N 429.546 1.994 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)s1 1141653858 MZJFYXRJTQEWPM-LJQANCHMSA-N 448.526 1.448 30 10 IDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](c1cccc(F)c1)c1cnn(C)c1 1142813288 BENPEFZDJWMBOU-OAQYLSRUSA-N 441.488 1.957 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(I)cc1N 1150872185 WTLDVBZBVOBDHA-NSHDSACASA-N 448.268 1.886 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159489301 AACFBPIESKLNRO-BTYIYWSLSA-N 431.493 1.677 30 10 IDEE COc1ccc(-c2nc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)sc2C)cc1 1198336370 IZQPEFHAFUGMCH-MGPUTAFESA-N 446.554 1.936 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)C1 1233850826 DTPYXWAWFUSQIT-MSOLQXFVSA-N 439.516 1.942 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1286383615 DKAKHIBZUPMOQZ-HZPDHXFCSA-N 428.580 1.019 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286388075 XTDOYWLDUGCICP-OAHLLOKOSA-N 430.559 1.724 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1286458719 AURSOCZRNIQJMM-GOSISDBHSA-N 437.342 1.188 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1286467257 OELLITWOCVMUGJ-IBGZPJMESA-N 437.610 1.388 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)CC1 1286472884 WOQARYGJAVYIEN-VGOFRKELSA-N 429.496 1.464 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(C(=O)NCC)CCC2)CC1 1286481606 HFFHEGZWMTYQQY-UHFFFAOYSA-N 441.605 1.695 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OC)c(OC)c2OC)CC1 1286488818 VCYAWPMBIUVPRT-UHFFFAOYSA-N 427.505 1.626 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOC[C@H]2CCCO2)CC1 1286489957 IMVCESSBMMIPJB-LJQANCHMSA-N 440.548 1.825 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286506642 KNOYAJYNKORDSI-SJORKVTESA-N 441.623 1.304 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286512014 HMISQZQEIYPTBN-GHTZIAJQSA-N 435.594 1.790 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286618663 DYTLNPPOURWFSW-UHFFFAOYSA-N 448.959 1.549 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286792081 LTAVYPAMOGXMBP-SFHVURJKSA-N 449.515 1.232 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286818194 DGQJKTXZYFSMBH-UZLBHIALSA-N 435.550 1.269 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(C)COCCO1 1287475681 XKRPALJWFMEDHL-VGOFRKELSA-N 440.552 1.659 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298580353 SROIENFFWZDULX-UFVMTTLYSA-N 444.536 1.561 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300407581 BBFAERUUYVEKFV-IEBWSBKVSA-N 441.580 1.212 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300504460 NQJLGIDVJBQZRO-QZTJIDSGSA-N 432.546 1.909 30 10 IDEE CN(C)CCN(CC(=O)N(C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1300586052 ZUIYEBAQLVBHHB-JQHMZKTJSA-N 435.569 1.252 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-c1cnn(C)c1 1300650971 XHBSWXFHHGPYGU-UHFFFAOYSA-N 435.532 1.951 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCO[C@H]1C 1300656731 ARMSRTGQXSAYDC-GAJHUEQPSA-N 436.516 1.961 30 10 IDEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1300755109 LNRQWAVPOUAQPL-UHFFFAOYSA-N 446.602 1.789 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300769944 MRCKDAPVSSSAKC-JOCHJYFZSA-N 436.541 1.954 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1300806531 YTPSTIYTCGESRT-FXAWDEMLSA-N 444.517 1.116 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1301016662 BCCQXESQZGHIAK-OAHLLOKOSA-N 447.005 1.189 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1301367259 MMVSDGMPDWVGKU-ZSYWTGECSA-N 430.553 1.489 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301508549 NMQYYILCHINRAL-SFHVURJKSA-N 430.578 1.391 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1301587355 NUKZDVMGWPRSEM-UHFFFAOYSA-N 436.557 1.938 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1301957018 RGKVLMKRSBVVAT-SCLBCKFNSA-N 436.358 1.709 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1301991040 UJNWPVHIRMDERA-STEAMIEHSA-N 447.561 1.614 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1303654960 ZQNCEEVSDVBVDK-HVCBDAARSA-N 443.533 1.157 30 10 IDEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CCO1 1304933638 COCHKZJAHQVIGC-NVXWUHKLSA-N 432.550 1.617 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OC 1309761893 PRKWQKYSNPDHHW-ZDUSSCGKSA-N 434.308 1.951 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1320320624 TYEZQDIRSLOVJH-MRXNPFEDSA-N 440.518 1.661 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 1353197458 AXPJMEXJKOFYFR-OAHLLOKOSA-N 426.452 1.287 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359035010 IPNWHZYAIXVOTH-SFHVURJKSA-N 435.594 1.285 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)NC)CC1 1359054694 DESNOPSYCOFUCV-UHFFFAOYSA-N 444.561 1.725 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCCCO)C1CC1 1359083283 GTTJGXHJEGCZLP-CYBMUJFWSA-N 433.372 1.830 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359122110 YGLVGQZSFMLRQQ-QLFBSQMISA-N 433.525 1.915 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1359291571 VTPBPBHBEGMHBX-MRXNPFEDSA-N 442.520 1.385 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359297955 HYUIPQRAVWFNLD-UHFFFAOYSA-N 428.566 1.579 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)n2)C1 1359311851 JLFGIJMYZJXVFB-QGZVFWFLSA-N 437.508 1.468 30 10 IDEE CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1359642914 IXINXDQNTAZQFP-UXHICEINSA-N 449.559 1.916 30 10 IDEE C#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)cn1 1439824701 LWXLESARROSQTE-INIZCTEOSA-N 431.233 1.981 30 10 IDEE N#Cc1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1Br 1458804334 CXFFEAPZTDTVLP-CQSZACIVSA-N 442.335 1.587 30 10 IDEE COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1466413256 AKUYRXUUEYDUPE-WBVHZDCISA-N 436.306 1.936 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 1471333103 YPCPUTHQOUVLBY-UHFFFAOYSA-N 440.525 1.519 30 10 IDEE N#CCCN(C(=O)Cn1cnc2ccc(S(N)(=O)=O)cc2c1=O)c1cccc(Cl)c1 1473088493 ZKCLREUZZQQSCQ-UHFFFAOYSA-N 445.888 1.644 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)n1 1492754131 QUKZKWDNZMOGBN-WOJBJXKFSA-N 442.568 1.105 30 10 IDEE CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1501212660 JAKFZHYEAIKZEQ-QGZVFWFLSA-N 428.566 1.337 30 10 IDEE CCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1503210912 JYLUTQXBUUYCAO-HZPDHXFCSA-N 436.513 1.352 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1504758142 GSTNPLLGYCTGOZ-JOCHJYFZSA-N 442.520 1.218 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1507621716 BUXPJWQNDZIIBH-MSOLQXFVSA-N 435.594 1.821 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507632090 WNASTJVIPMNFDF-HNNXBMFYSA-N 433.925 1.450 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1507633643 UHAORMLFHSTZOO-OALUTQOASA-N 437.610 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1507660492 VSGDVLGGSVKVEH-RTBURBONSA-N 434.610 1.473 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1ccnc1C 1507664139 HMBLEKIZHNVGQV-UHFFFAOYSA-N 426.488 1.589 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1507749919 BQDZCJICHFULHL-UHFFFAOYSA-N 431.566 1.960 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1507781556 BZKKCWLFEBMSBV-HNNXBMFYSA-N 439.358 1.439 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1)C1CC1 1507994157 XSOZWDFMTSNTDU-CQSZACIVSA-N 435.575 1.827 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1508075617 XPRKIJJEPMFQJN-UHFFFAOYSA-N 443.939 1.895 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1508820293 BCNCXARDPNFIDS-UHFFFAOYSA-N 448.535 1.044 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1516968838 GFWVXIWOZBTMNG-HOTGVXAUSA-N 447.540 1.557 30 10 IDEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539133304 DMPMOAAFNZQQHF-UHFFFAOYSA-N 426.565 1.695 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(OC)c1 1539312539 SSIIKUDLVLQMEU-UHFFFAOYSA-N 431.500 1.580 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](CC)OC)CC1 1539445979 MLARJOJPEJRQMM-SFHVURJKSA-N 449.559 1.855 30 10 IDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCOC2)CC1 1541993312 NDSACXUWLALMGC-GOSISDBHSA-N 430.553 1.974 30 10 IDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCOC2)CC1 1541993313 NDSACXUWLALMGC-SFHVURJKSA-N 430.553 1.974 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1[C@@H]1C[C@H]1CF 1555664544 OMQYCHSYJDLSDM-MUQADHOPSA-N 444.515 1.909 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2=O)cc1 1556172438 ZUBJMIUCCPMYSF-WFXMLNOXSA-N 447.413 1.981 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CCO2)cc1 1585445908 NHPIEEKKSPTPDI-GOSISDBHSA-N 431.470 1.386 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588024997 QYOZRBDISYMLKU-ZWKOTPCHSA-N 431.562 1.497 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1588050858 WCTGPEBZARULFI-INIZCTEOSA-N 434.591 1.751 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588064721 NYKNLNBVPQYILL-QUCCMNQESA-N 433.622 1.978 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588646791 NHRMTSMKPRANML-HZPDHXFCSA-N 431.459 1.131 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(Br)n2)CC1 1588811417 IVPSRLVGRJAETO-HNNXBMFYSA-N 431.338 1.743 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589528027 CJJZDKAFLBVCDW-BQFCYCMXSA-N 432.550 1.730 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)[C@H]1CC 1595595083 RVJSHIIQMLEXFF-QGZVFWFLSA-N 428.562 1.896 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)c2ccccc2)C1 1595664820 KPKPLHHTAKTGQU-KRWDZBQOSA-N 447.561 1.672 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)Br)C1 1595674588 QYDOLZUMAFCPTC-QWHCGFSZSA-N 434.360 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1 1595812265 QHTCSOZNIQUMPY-SFHVURJKSA-N 442.549 1.298 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1596094476 ZAHRTGNCSIUFBL-VIFPVBQESA-N 437.245 1.335 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1611620796 AAJYAZSYBQEIEW-MJGOQNOKSA-N 428.512 1.705 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1612942935 GYHILOPFDANADM-YUMLTWSLSA-N 444.536 1.702 30 10 IDEE CCCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C#N)C1 1614988880 CIGRQOHNYJTLHX-INIZCTEOSA-N 428.493 1.511 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1cc[nH]n1 1618336235 OKFSWNDCLNCFEH-APWZRJJASA-N 443.504 1.099 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1619465977 KUCWWENRALAWNE-QVKFZJNVSA-N 442.545 1.786 30 10 IDEE C=CCC[C@@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1623969997 YDIAEYBQQCVCMG-HNAYVOBHSA-N 426.535 1.594 30 10 IDEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 1624906135 BATLCCJWPDOFOT-YVEFUNNKSA-N 433.461 1.686 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(C)c(C#N)c3)c2)CC1 1625736622 LWOOATLSKZOXKV-UHFFFAOYSA-N 440.525 1.650 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2cccc(OCC#N)c2)C1 1627819865 MSTPRVLMILQRDT-KRWDZBQOSA-N 437.518 1.629 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1630290927 HNIRVBBHKNKMKM-RBUKOAKNSA-N 434.562 1.041 30 10 IDEE Cc1nn(C)c(C)c1[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 1630407832 BFFRRDUEJAVUMB-INIZCTEOSA-N 429.424 1.607 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 1632449026 PEJIVSVPPORJKK-UONOGXRCSA-N 430.548 1.306 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3ncc(Br)c3C2)c1 1632944165 QOWUJRJCPCFEBB-UHFFFAOYSA-N 427.255 1.738 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CC1 1633504531 HONSANCRXWVWHS-UHFFFAOYSA-N 433.940 1.950 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)C2)c1 1634259837 IUKXLABYKWHZHU-YSIASYRMSA-N 444.557 1.291 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1635713058 DTVNZSZWGTZTLM-AIANPOQGSA-N 427.509 1.434 30 10 IDEE CN(C)[C@@H]1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)nc2)C1 1636651879 PPYXACNKOCEQTN-OAHLLOKOSA-N 431.493 1.911 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCO2)O1 1637434658 KBYJDNYVYRDPPZ-JLSDUUJJSA-N 433.892 1.943 30 10 IDEE Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccn3)CC2)cc1S(=O)(=O)NCC#N 1645016994 ZXVXHEUBSGSNBV-UHFFFAOYSA-N 433.921 1.808 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1648586813 SZOFJIWCVQRQND-IEBWSBKVSA-N 435.502 1.827 30 10 IDEE COc1cc(C(=O)NCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc(OC)c1OC 1652920085 URXZJKAHWMOPRT-HXUWFJFHSA-N 439.468 1.914 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H]1C(=O)OC 1653675324 GSTZGMKRYYNPFO-OFDORPLQSA-N 449.504 1.194 30 10 IDEE C[C@@]1(C#N)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1659525191 VICMTIOJFDCUCZ-SFHVURJKSA-N 426.926 1.535 30 10 IDEE N#Cc1ccc(OC2CCN(S(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)c(F)c1 1663818479 CXIGFNNVCIBJJA-OAHLLOKOSA-N 430.523 1.695 30 10 IDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1F 1665036044 ACOWZTXODASRCO-UHFFFAOYSA-N 441.481 1.751 30 10 IDEE C#CCC1(O)CCN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CC1 1671206845 IUOQYMOOOOZYEK-UHFFFAOYSA-N 437.537 1.929 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c(C#N)cn1CC 1678537105 HFUPCOJCKSSNOC-OAHLLOKOSA-N 437.522 1.588 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)C1CCOCC1 1682886986 DOCOLMZIZIYRON-KRWDZBQOSA-N 431.518 1.007 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689888108 AUZIRWWAEWMLAY-LJQANCHMSA-N 430.553 1.550 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1689913214 JRYQESZZIAQETH-IRFCIJBXSA-N 446.596 1.404 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689993090 VIIRFXOHDWTTDT-YLJYHZDGSA-N 439.651 1.541 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1690039693 PKYHOQZUTCZPRY-UHFFFAOYSA-N 437.500 1.284 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1690096703 YUHMOUICQBLGHC-UHFFFAOYSA-N 427.530 1.870 30 10 IDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1690163874 ULUAXHFRJWOLSN-HNNXBMFYSA-N 439.549 1.106 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690313546 WVNBXWVEJNZTTR-MSOLQXFVSA-N 448.593 1.890 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1690665570 IIHMQSXDZCRGDN-OAHLLOKOSA-N 442.520 1.356 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690665758 OQUPELNMHKVLLH-INIZCTEOSA-N 440.529 1.419 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690670438 BPWZTFMPAQIYPR-INIZCTEOSA-N 428.493 1.377 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCOCC2)C1 1690710835 XEWLVHHOKDRJEA-SFHVURJKSA-N 432.569 1.293 30 10 IDEE C[C@@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1692804666 DWTKTJWXKZUZQZ-OXQOHEQNSA-N 431.518 1.238 30 10 IDEE CC1(C)C[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1692856350 BLSUVONHYANUMZ-DLBZAZTESA-N 436.582 1.787 30 10 IDEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1696434778 UPIMJKVJHSFPTG-OALUTQOASA-N 445.545 1.666 30 10 IDEE COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1697092289 GUEZJENZJNSEPK-DNVCBOLYSA-N 440.570 1.166 30 10 IDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1697834252 AMHWZFBXNXDDKC-KRWDZBQOSA-N 442.501 1.623 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccco1 1705481378 FQECUMATSSFGSN-OAHLLOKOSA-N 441.513 1.830 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705565997 LFEHWNXVHKPCPO-KRWDZBQOSA-N 448.570 1.234 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1705598306 GSMUIMUYABNHAP-QZTJIDSGSA-N 426.546 1.102 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N1CCCC1 1705627576 KUNALRHHJUKZTH-MSOLQXFVSA-N 426.521 1.745 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705661902 LDGHSZFVBIQTDI-MRXNPFEDSA-N 443.533 1.778 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1705754703 DMIFDXGVSUEXJS-KGLIPLIRSA-N 433.962 1.367 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C#N)C1 1710988558 BWVUWJXZOVWHRT-ZDUSSCGKSA-N 439.303 1.981 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)OC(C)(C)C)CC1 1722437367 RXKGFMPLMLSHNH-SFHVURJKSA-N 432.569 1.842 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722459043 AZYLVLLULXBUBB-LJQANCHMSA-N 443.621 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1722492474 SRHDKIOUGPCTPT-CLWJZODNSA-N 441.598 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1 1722495097 UXYYGDGOTGEYPE-FHWLQOOXSA-N 430.553 1.600 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722703278 XZDIMEQSGVENGT-NJNPRVFISA-N 443.552 1.215 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1722738571 LQSVAAUQPGPRMY-CABCVRRESA-N 447.652 1.472 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1Cc1ccc(C#N)o1 1723923668 ATMNYRZTVCCJEP-KGLIPLIRSA-N 434.522 1.407 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCS(=O)(=O)C1 1740643717 MQJJMYDIZNQZGV-GOSISDBHSA-N 426.542 1.927 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740792338 HVZIKEDOSAYIMW-GOSISDBHSA-N 445.568 1.548 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(C3CC3)C2)C1 1740972469 JAKZPVAFPLZTTK-JFIYKMOQSA-N 438.598 1.154 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc([C@@H](C)O)cc2)C1 1740972716 LWGQSCMNNYNYAS-GPMSIDNRSA-N 449.577 1.771 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740990685 CXIOPLDYCNWUGE-INIZCTEOSA-N 436.538 1.806 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741984103 HGHUZZDXXBTLPN-WOJBJXKFSA-N 433.509 1.764 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1748638495 QFDCCJBTGNJKAJ-IAGOWNOFSA-N 434.504 1.784 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1748698984 KQGMJQZJYYCCRB-QZTJIDSGSA-N 449.581 1.102 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748771388 IYCHLYDFSVQPCR-HNNXBMFYSA-N 436.509 1.566 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748810524 XMKGQPOMFQYHMR-QGZVFWFLSA-N 430.530 1.495 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748815096 NICJWSHCCMIJIV-QGZVFWFLSA-N 433.578 1.431 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCc2ccccc2)CC1 1748972826 RQNABPZGQWUSTG-UHFFFAOYSA-N 445.527 1.897 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2sccc2C)CC1 1749016034 XFCOQGHEQMVWOU-UHFFFAOYSA-N 440.573 1.785 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749131781 VORWPPRYSGUJOS-BZSNNMDCSA-N 439.582 1.235 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NCC)CC1 1749424933 RWNXOHMJBLHCBX-UHFFFAOYSA-N 429.525 1.230 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1749678070 VAUQGXDEQJKPHX-UHFFFAOYSA-N 439.520 1.382 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1750215136 POKJKDAHSZKRHY-RBUKOAKNSA-N 444.561 1.761 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(CCN(C)C)CC1 1760177006 BAPGDXDZSMSREU-UHFFFAOYSA-N 443.621 1.613 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1760192207 GHMLHJTTWQPLBA-HXUWFJFHSA-N 445.589 1.864 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCN(C)C1 1760240274 MIXJIJRZPGRVQJ-QFIPXVFZSA-N 428.512 1.262 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1760450773 RVFOFMANRREFKV-GOSISDBHSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1760520773 ZDBCAGRMJAWEMZ-UHFFFAOYSA-N 445.483 1.375 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]2CC[C@@H]21 1760548232 BJNJRIZQXKQQFR-CVEARBPZSA-N 430.534 1.905 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1767050163 APOMDLYDHBSUMX-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1769246016 BDPVLJZSRXCCAI-IBGZPJMESA-N 448.531 1.903 30 10 IDEE N#Cc1ccccc1OCC(=O)OC[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852501019 WGJHUCVGNKPOSB-FQEVSTJZSA-N 428.510 1.822 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCCO3)C2)CC1 1855451728 JBFHRDRKYUOUFP-MSOLQXFVSA-N 431.514 1.513 30 10 IDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](N(C)CCC#N)C3=O)cc2)CC1 1856532743 CGYAUWBVHJRGEA-LJQANCHMSA-N 432.546 1.694 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3OCCc4ccccc43)C2)CC1 1857062041 CZZQSXFNEMSLDN-XLIONFOSSA-N 431.514 1.241 30 10 IDEE C=CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861512498 DMLTUZZHVQDWTE-HNNXBMFYSA-N 435.480 1.954 30 10 IDEE COc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 1870151210 PFBAPZYHGZRMKI-CQSZACIVSA-N 446.423 1.837 30 10 IDEE C=CCn1cc(OCC(=O)N[C@@H](C)c2ccccc2)c(=O)cc1CN(CCO)CCO 1870413697 DHANNQHETMVFCL-SFHVURJKSA-N 429.517 1.077 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874337881 PIAFHNHCNDCLRO-GNZXAGPDSA-N 433.490 1.561 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2218629885 DGNLECZMZYSTBD-ZOBUZTSGSA-N 438.330 1.010 30 10 IDEE C=C(CS(=O)(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247901382 JSQPLBKUVAHINJ-HNNXBMFYSA-N 446.375 1.729 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247928141 XNPFFYVGJIHCTO-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254795171 HKKHSZIHUPVTCZ-KGLIPLIRSA-N 437.321 1.984 30 10 IDEE Cc1c(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630700 NTJCGGVWBQIXFG-UONOGXRCSA-N 434.346 1.813 30 10 IDEE Cn1cc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653154 FKNGJICFWIRDMU-UHFFFAOYSA-N 432.330 1.412 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 2255655367 LLTCBNAOCAHPJV-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255692708 DBFWKAOPFVUQLM-QWHCGFSZSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)(C(N)=O)C1 2267270797 NTEIZMFZRGTJDM-UHFFFAOYSA-N 445.325 1.190 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)n1 2267495908 RKSJZLIMDHEMQS-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267541265 BGVXENCBKXGTGO-FMKPAKJESA-N 446.357 1.847 30 10 IDEE C[C@@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267597519 WHOXSSQNZLZEDA-CQSZACIVSA-N 447.341 1.481 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2272631872 BGXDMKZVQACNKE-RCDICMHDSA-N 446.357 1.706 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(=O)(=O)C1CC2(C1)OCCO2 2277953700 AMNZMVUVNMHUCH-UHFFFAOYSA-N 429.369 1.714 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc([N+](=O)[O-])cc1)n2C[C@@H](O)c1ccccc1 2327754022 QSDAPHOPYWQFRU-MRXNPFEDSA-N 449.427 1.923 30 10 IDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2367819371 SIJPEQRNFQLUEK-XQBPLPMBSA-N 434.558 1.755 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 410202085 OVTNKWGKHCTKIB-SZMVWBNQSA-N 433.534 1.071 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)Cn2cc(Br)c(O)nc2=O)CC1 438617737 HUWBRYIJLXKMKB-UHFFFAOYSA-N 448.277 1.484 30 10 IDEE CC(C)(C)NC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447420027 ZCOXJMHRVSECNW-UHFFFAOYSA-N 445.491 1.563 30 10 IDEE O=C(CN1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1)N1CCOCC1 474627315 DIWKKVFTAYJMQH-UHFFFAOYSA-N 433.512 1.490 30 10 IDEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 501879047 CJFVVNQGECJDFK-UHFFFAOYSA-N 426.542 1.776 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 520665661 YPMXSDYLMRJXSI-UHFFFAOYSA-N 439.607 1.641 30 10 IDEE CS(=O)(=O)N[C@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 522644597 BBHCVFQQZWAWJD-AWEZNQCLSA-N 433.490 1.173 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2nnc(C)s2)nc1C 526885501 KYEFFFHMTNLLPB-NDEPHWFRSA-N 443.532 1.280 30 10 IDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@@H]2C1 535104717 BYSMJBOXBFNVPO-NRSPTQNISA-N 447.557 1.754 30 10 IDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c1C 546672567 DLZRBRUJEKOCCR-KRWDZBQOSA-N 430.534 1.478 30 10 IDEE O=S1(=O)CCN(CC#CCN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)[C@@H]2CCCC[C@@H]21 551394251 IYXROOFQUQWDRV-JVSBHGNQSA-N 428.620 1.073 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@]4(CNC(=O)C4)C3)n2C[C@H]2CCOC2)cc1 569990645 CRKLEXWAYMKHTN-JPYJTQIMSA-N 436.516 1.872 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 603990128 MSFMDKGMIDLCPT-CYBMUJFWSA-N 448.526 1.086 30 10 IDEE CN(C)CCn1cc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 610870644 PLFPHUGUWDZEOE-UHFFFAOYSA-N 446.515 1.152 30 10 IDEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669806722 GYGQFDYUNUIHRA-GOSISDBHSA-N 432.488 1.994 30 10 IDEE C#CCN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1CCS(=O)(=O)C1 731839831 PRDQETCESQIIPM-JTQLQIEISA-N 429.281 1.238 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732650736 DBCPVWDPEWLOGF-SFHVURJKSA-N 432.546 1.295 30 10 IDEE Cc1ncc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)s1 737254663 WGOLVDYYBRFHTO-CJLVFECKSA-N 435.531 1.519 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 746191558 WAEFXWFONVVTMT-LZICOFPGSA-N 425.470 1.315 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 754772859 LWAWSNNMAMBDTR-NSCUHMNNSA-N 449.286 1.594 30 10 IDEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(=O)O 757201940 RCUDLBMIZXPYEQ-NHCUHLMSSA-N 436.464 1.869 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)ccc1F 763610823 IFGLAZJZTWCNGJ-AWEZNQCLSA-N 444.488 1.818 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)c(C)o1 767953547 SAZFJYPTELBIHY-GOSISDBHSA-N 441.553 1.861 30 10 IDEE C#CCN(C(=O)N[C@@H](c1cc(OC)cc(OC)c1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774151774 CHGQOQPVGNVCFI-LPHOPBHVSA-N 446.529 1.359 30 10 IDEE COC1(C(=O)NS(=O)(=O)Cc2ccccc2C#N)CCN(C(=O)OC(C)(C)C)CC1 777286015 RDMOAWJINAMYOP-UHFFFAOYSA-N 437.518 1.920 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 779583171 ACPLHHAAYAUUAO-INIZCTEOSA-N 432.502 1.517 30 10 IDEE C=CC[C@@]1(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790323663 CBYVWSKTGYIRGH-KXBFYZLASA-N 430.571 1.364 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccncc3OC)CC2)ccc1F 794344959 PYOJQHXBXSIFDE-UHFFFAOYSA-N 434.493 1.656 30 10 IDEE C#C[C@@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 798364548 MQERUBDNWKOMBJ-IRXDYDNUSA-N 431.562 1.747 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 857837771 PJQNZHOXRWHIBY-IAGOWNOFSA-N 439.534 1.824 30 10 IDEE N#Cc1ccc(-c2csc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 877697302 FSQQANURYOHYOP-CQSZACIVSA-N 443.510 1.786 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCN1CCOCC1 916201213 HPUKKHGVLPMROL-UHFFFAOYSA-N 445.342 1.031 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 1136632809 MTPJCXPRGIXYDL-UHFFFAOYSA-N 425.558 1.777 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)cc2)c1N 1140678524 DVUVUCWZVZRWEI-HIFRSBDPSA-N 432.406 1.809 30 10 IDEE N#C[C@H](CO)NC(=O)c1cc(I)ccc1I 1140739476 KQQNMAZDUOGRHA-SSDOTTSWSA-N 441.994 1.510 30 10 IDEE C=CCC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 1140930673 VBVUPEHUMALMAA-DLBZAZTESA-N 439.490 1.762 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(I)cc1N 1150872184 WTLDVBZBVOBDHA-LLVKDONJSA-N 448.268 1.886 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1157317402 SQONXOPDESRWLZ-UHFFFAOYSA-N 429.285 1.982 30 10 IDEE C=C(C)C[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC)C(=O)OC 1161726995 GECZXPGEAOUNND-AWEZNQCLSA-N 431.493 1.581 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@H]2CCCO2)cc1 1178558307 WXKAEANZXURJQB-QXAKKESOSA-N 434.514 1.171 30 10 IDEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1251152827 QKAXPOWDGMQJHK-UHFFFAOYSA-N 426.495 1.832 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286357112 YOJCLWSMCZEQFP-UHFFFAOYSA-N 437.548 1.934 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286394089 UGMIOJWZQYAZTR-IBGZPJMESA-N 430.578 1.761 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286397213 YECVXORGMFPPIW-SQNIBIBYSA-N 436.578 1.614 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1286411082 YPCTXQXTFICXBP-IBGZPJMESA-N 443.548 1.524 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CCC(=O)NC 1286460071 JETAJJOKFRVRFD-UHFFFAOYSA-N 426.340 1.991 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C2CC2)CC1 1286460217 BJWSGCKGVPWHMF-UHFFFAOYSA-N 437.548 1.886 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286488548 OMVLWMITRBVYGY-CMKODMSKSA-N 447.580 1.519 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286537697 HWJMNZQQDVIGAW-LSDHHAIUSA-N 441.374 1.685 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286610715 AAKFMBYHSIGXJI-OALUTQOASA-N 433.553 1.940 30 10 IDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)F)C1CC1 1286733183 SWYSGTJMHDYUBT-UHFFFAOYSA-N 429.435 1.457 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286785145 GFLUPMRSFDPMEN-GOSISDBHSA-N 427.553 1.134 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1286785967 KZQKFNJGNQUDRM-IAGOWNOFSA-N 444.923 1.763 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1286786342 RCGYRODCAHXSOV-HKUYNNGSSA-N 443.596 1.275 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)C1 1286813124 RWFCESBSIXMNND-CABCVRRESA-N 430.534 1.330 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)N(C)C 1288672842 FJWJZVBLWDQOQA-LSTHTHJFSA-N 437.548 1.926 30 10 IDEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1294345415 GPQBWGBQOPMBFX-BSBNDGSWSA-N 443.552 1.500 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN(C)C(C)C 1297270300 CSJIAJBNBFIYQC-UHFFFAOYSA-N 443.600 1.785 30 10 IDEE CN1C(=O)N[C@@](C)(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc2)C1=O 1299999568 PDMDNOVLPBIJTG-FQEVSTJZSA-N 444.444 1.772 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1300512793 TUUSQZWODVTFKV-DEOSSOPVSA-N 443.592 1.627 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(C(C)=O)CC2)CC1 1300710911 PRUABVSOLARCGK-SFTDATJTSA-N 444.580 1.016 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCO)CC1 1300712542 UJUKBGKAQLXUJN-UHFFFAOYSA-N 439.520 1.054 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301034193 NEKBKLUFLXPALQ-KXBFYZLASA-N 446.987 1.810 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301229249 LGNGGEFLUQCEAI-UHFFFAOYSA-N 437.548 1.792 30 10 IDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1301452403 MACLOSGKUMHQEO-QGZVFWFLSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C1CC1 1301500264 KQFMXFFBNBMDEK-INIZCTEOSA-N 447.536 1.791 30 10 IDEE C=CCNC(=O)Cn1c(N2CC(C)(OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301517760 BYMOABSIDALAHD-GASCZTMLSA-N 434.541 1.576 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)C1CCCC1 1303835806 FFFUGKHVSWUYOF-KDOFPFPSSA-N 427.550 1.205 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(Br)cnc2N)ccc1F 1306139955 KPFPRXYGPLWCPD-UHFFFAOYSA-N 443.298 1.960 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)c(Br)cc2F)CC1 1309229182 UMFFPUMNWDYHNH-UHFFFAOYSA-N 446.342 1.342 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccn2)CC1 1313379431 HJVAPYGRAYBSDN-FQEVSTJZSA-N 427.530 1.160 30 10 IDEE CCN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1313574468 XQQJJJIDXUKICY-ZZEZOPTASA-N 441.536 1.809 30 10 IDEE CS(=O)(=O)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1316335996 IDNFRRDHLPPKKD-INIZCTEOSA-N 435.937 1.828 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)(F)F)CCN1C1CC1 1316535420 NXUFIHLEWJKUFT-HNNXBMFYSA-N 441.458 1.617 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCOCCCO)CCO1 1316535442 OQMDCLBJVPLOLG-MRXNPFEDSA-N 436.310 1.835 30 10 IDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)O1 1354819671 YDKODKPFMSAZGM-GNRHSTDMSA-N 437.518 1.939 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1358967968 WREMEZBHJMZRTC-INIZCTEOSA-N 435.575 1.607 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC1 1359019695 CUFYNUVERYLSNU-KRWDZBQOSA-N 447.561 1.318 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC 1359025112 DFBYVJNPMYADLK-KRWDZBQOSA-N 437.541 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2nccc(C(F)(F)F)n2)CC1 1359045604 NJQXLHLDWOPXIU-UHFFFAOYSA-N 435.454 1.858 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359165812 XJOICWXDUQSBHI-LSDHHAIUSA-N 447.508 1.192 30 10 IDEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359219847 FVXBVBZNEFTFIO-OAHLLOKOSA-N 428.468 1.109 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1)C1CC1 1359251450 LNYFJTYXTAMYKB-INIZCTEOSA-N 435.594 1.984 30 10 IDEE C=CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1)C1CC1 1359254343 NMTXZBMXGHDFNG-OKILXGFUSA-N 429.529 1.775 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359296429 JANFDZZDRHWLNT-KRWDZBQOSA-N 439.476 1.525 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3sccc3CC#N)CC2)cc1 1443497099 XKNXQSDCGHOMKO-UHFFFAOYSA-N 432.571 1.859 30 10 IDEE COc1ccccc1[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)OC(C)C 1469878327 XVJAWSDFRQMIJV-SFHVURJKSA-N 427.461 1.562 30 10 IDEE C#CCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1470909300 WYIIIPQDLXGJNF-INIZCTEOSA-N 425.576 1.065 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCCNC(=O)OC(C)(C)C 1471014439 HGMJGZDYUASFQI-INIZCTEOSA-N 447.540 1.500 30 10 IDEE C[C@@H]1CN(c2ccncc2)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1471936366 FOTKHNOBEJECSW-MRXNPFEDSA-N 427.530 1.638 30 10 IDEE CN1C(=O)C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCSCCCO)CC[C@H]21 1503642787 CLYLMIDBZKBLOC-RBUKOAKNSA-N 440.573 1.989 30 10 IDEE COC(OC)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1504011538 VQXLGBLTTCXZIH-GOSISDBHSA-N 440.504 1.469 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H](C)O1 1504736332 TUGHVUSLEIGDKT-UZLBHIALSA-N 442.520 1.495 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1CCOC1 1504975993 SYNVKEPNOKRFQW-CVEARBPZSA-N 442.520 1.964 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1507702759 NOEIOTDBDHOFAS-BSRJHKFKSA-N 438.532 1.953 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1507707436 WMVWIDXUBLQXJE-IBGZPJMESA-N 441.532 1.963 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1507711517 VXZQCWWCDGREAB-LJQANCHMSA-N 444.557 1.444 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1508018950 JSRVSKVDHJAYSK-AWEZNQCLSA-N 446.371 1.698 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1508058793 FSLVMRYKXCJLTO-RBUKOAKNSA-N 447.561 1.593 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508137729 QKYGFUXJGNEVQI-QGZVFWFLSA-N 446.577 1.682 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1508141057 KYOTVPGGUGVNFB-LJQANCHMSA-N 436.626 1.363 30 10 IDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)cn1 1515778086 CVUDYDNWNONNBU-MRXNPFEDSA-N 434.504 1.660 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1527210878 BCUKZOGUPNCJEA-ZYNBKEAPSA-N 444.517 1.225 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1539068556 WICBOYBXGYWCPW-MRXNPFEDSA-N 428.493 1.151 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539072826 WWDKXNASJLVEQG-QZTJIDSGSA-N 435.594 1.725 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)C2CC2)CC1 1539435776 AEHZWQRYPJJJSW-QHCPKHFHSA-N 425.533 1.879 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCCC1=O 1540071754 HPOZMLLRIVPWAL-LJQANCHMSA-N 443.573 1.973 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1541121269 GGTZJEGZXNMQQG-VSZNYVQBSA-N 436.582 1.930 30 10 IDEE C=C[C@@H](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1543114297 RAWWWRIARLSQSL-INIZCTEOSA-N 428.576 1.834 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367932 XFMIBNKAJBTOIN-KRWDZBQOSA-N 432.406 1.753 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cc(C#N)ccn4)C3)[C@@H]2C1 1558067117 ZZNOCZRIJPCHAL-UAGQMJEPSA-N 427.461 1.608 30 10 IDEE Cc1c(I)cccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806386 NRBARDYMZLHBOG-UHFFFAOYSA-N 436.209 1.431 30 10 IDEE N#CCCn1cc(C(=O)NC[C@@H]2CCCN2CCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 1569470242 PHHHQLNGKSWJAW-SFHVURJKSA-N 426.477 1.949 30 10 IDEE C#C[C@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC 1584771288 SDSBHDOGMSACQA-KRWDZBQOSA-N 446.573 1.880 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588050859 WCTGPEBZARULFI-MRXNPFEDSA-N 434.591 1.751 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)(F)F)CC1 1588732539 CITSXZQCSWKFHX-UHFFFAOYSA-N 437.426 1.607 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1588751863 OLRXDUUANLWOJX-XUZZJYLKSA-N 444.624 1.950 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1588907267 ADKDTTAPIXYMHQ-XMMPIXPASA-N 448.527 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1588929759 GANMOMHCOZKUOH-DMUMMCEESA-N 429.565 1.951 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595577363 QJXXMNQYTORDJU-SFHVURJKSA-N 438.532 1.587 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1595760440 MSYYATODMNKOPI-UHFFFAOYSA-N 438.598 1.730 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CC1 1622736703 ZPNJSKPPKZFXQR-UHFFFAOYSA-N 431.474 1.149 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)C[C@H]1CS(=O)(=O)C2 1626655406 FIMVDXVHJUQVIR-QFYYESIMSA-N 426.285 1.584 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)N(CCC#N)CCN3CCOCC3)cc21 1627068013 NDTKKCGCYKQHLD-KRWDZBQOSA-N 446.552 1.931 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)s1 1629057507 TXIMSOOQIKUMSS-UHFFFAOYSA-N 436.515 1.290 30 10 IDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)NCC(F)(F)F 1630742596 HWAKWGPRATYPMG-WELLJHPMSA-N 432.443 1.956 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1636512586 LNZMNIJJPUWTRX-WHWRDJHUSA-N 442.324 1.743 30 10 IDEE C#CCN(CC(=O)NCCOc1ccc(NS(C)(=O)=O)cc1)C(=O)OC(C)(C)C 1637223003 FWSRKYQWTFPFJB-UHFFFAOYSA-N 425.507 1.423 30 10 IDEE N#Cc1csc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)n1 1639619622 UWYUXADVIUCTOS-ZDUSSCGKSA-N 440.572 1.932 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CC2)CCOC1 1640828512 UHDWKZFIAAFSGJ-DEOSSOPVSA-N 449.511 1.655 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)CC1 1641976682 PWMOYYPQNDWXQF-UHFFFAOYSA-N 431.514 1.571 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1 1642225116 GQVRZFRXSWTCPA-INIZCTEOSA-N 427.404 1.759 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)n(-c2ccc(F)cc2)c1C 1648386082 YIPWMPGTCUBHSZ-SFHVURJKSA-N 448.520 1.525 30 10 IDEE C#CCN(CC(=O)N1CCn2ncc(I)c2C1)C(=O)OC(C)(C)C 1652509980 HARFJTSJKFZYJE-UHFFFAOYSA-N 444.273 1.700 30 10 IDEE N#Cc1ccc(C2(NCCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCC2)cc1 1654867771 IIDPCKHJEKPMAC-UHFFFAOYSA-N 426.542 1.923 30 10 IDEE C#CCN(C[C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1658460958 MEMRDXXCTQHZIY-HKUYNNGSSA-N 438.594 1.534 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 1658892269 GNCJSJMYOCTHHV-UHFFFAOYSA-N 441.532 1.949 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)cc1 1663403194 BKSDOBIZGRLBBH-NRFANRHFSA-N 443.481 1.240 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(OCC(F)(F)F)nn2)c1 1671368316 LPCFZBNKQIBAJX-UHFFFAOYSA-N 430.408 1.812 30 10 IDEE C#C[C@H](NC(=O)N1CCC(n2nncc2I)CC1)[C@@H]1CCCO1 1671889562 IXCPDQWXXLTPIM-STQMWFEESA-N 429.262 1.410 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 1674968276 LXEKJWNSIMYKBB-UHFFFAOYSA-N 441.557 1.946 30 10 IDEE C#CCN(C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)C1CCN(C)CC1 1678109622 GYGFXHAJQARZBF-UHFFFAOYSA-N 426.561 1.968 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 1684009218 DJVFWINGUHTIPL-UHFFFAOYSA-N 434.500 1.081 30 10 IDEE CC(C)(C)OC(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1686868355 ZDHFAWQWRNKZAH-UHFFFAOYSA-N 429.521 1.923 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](F)COC)c1 1689873646 QQHORBSZPGBCBT-QGZVFWFLSA-N 442.495 1.441 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](F)COC 1690091190 LNHGBHOGPALTTM-FUHWJXTLSA-N 438.500 1.944 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)n(C)c2=O)C1 1690684766 NIHCQYSGHJBZGB-SFHVURJKSA-N 426.521 1.351 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)N(C)C)C1 1690691950 OAKHDLRKNTXSRM-SFHVURJKSA-N 437.508 1.180 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C)CC1 1692793376 GQDXRUYDLHUKQD-OAHLLOKOSA-N 444.565 1.282 30 10 IDEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1694884579 DOXZLWKLUIULGG-MRXNPFEDSA-N 429.546 1.993 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C=C)cc2)CC1 1705639703 UOPAMAWANQFVGO-OAQYLSRUSA-N 439.585 1.821 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2nnn(C)n2)CC1 1705644727 AIFFKUZFKAXEFQ-IBGZPJMESA-N 447.547 1.358 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1705652212 SGTMQHKHPQBDPY-INIZCTEOSA-N 428.628 1.175 30 10 IDEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCCS(C)(=O)=O)CC1 1705770487 INWLMRSTOKTNLW-UHFFFAOYSA-N 444.561 1.734 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnc1C)C1CC1 1705855267 ZQHCFUQJBNFSNY-SFHVURJKSA-N 449.581 1.361 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1705886991 JXGFPQIMAMJRDI-QWHCGFSZSA-N 425.515 1.159 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1705905124 KJIKLMSICFHWGI-KRWDZBQOSA-N 427.505 1.569 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C#N)CC1 1710987335 POYSWUVHMHNYJI-UHFFFAOYSA-N 436.545 1.612 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1711432218 JSZBLTWUNJWLPD-RJCBAWPRSA-N 442.520 1.852 30 10 IDEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCCO)cc1 1711773834 XQEQUGHRZNSDDK-IBGZPJMESA-N 426.521 1.529 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)CCO1 1712882650 FJIOIAQJCRNFDR-QGZVFWFLSA-N 446.471 1.683 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722321936 LUOQELYHDLEFDM-GOSISDBHSA-N 434.504 1.749 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCNC(=O)c1cccc(OC)c1 1722381458 BGZCNKPDXPNOAX-UHFFFAOYSA-N 428.496 1.775 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722384848 YMRUDIYAADEDBQ-CVEARBPZSA-N 435.550 1.166 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722476120 MJNRYRRLYFDYRI-YADHBBJMSA-N 444.557 1.707 30 10 IDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1722540066 ANMJEWIIXRCVJK-DYESRHJHSA-N 429.546 1.595 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722558886 BXSWNUBRBIZGEL-DKIMLUQUSA-N 425.961 1.912 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1722706464 SUWSRZQWPVMQGO-UHFFFAOYSA-N 438.532 1.574 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)C1 1722709574 SUFNLBNKWLNNBN-ZDUSSCGKSA-N 435.435 1.088 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1722729540 OBRZFTHTZBPUON-QGZVFWFLSA-N 447.561 1.180 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(C)(=O)=O 1722862227 HQKHJWUFKPCEMU-LBPRGKRZSA-N 428.465 1.692 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1723778705 ICSIQKBQNJHGIX-AEFFLSMTSA-N 448.549 1.428 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)CC2CC2)C1 1724014424 CFBKLDOCFRBLKK-FQEVSTJZSA-N 434.566 1.355 30 10 IDEE C[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C(F)(F)F)O1 1726688760 WOZRTFRVCXHGCW-UCFYQWANSA-N 440.426 1.838 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1729195493 CXBXFPLHGVIYNY-UHFFFAOYSA-N 446.577 1.992 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1731096884 QGUGQGSQNHQLPA-PFANNTFUSA-N 432.550 1.640 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740580593 CRRBFPGREJALTA-GJZGRUSLSA-N 438.579 1.645 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1OC 1740668994 IGVIKTXPVAFBBW-SJLPKXTDSA-N 446.577 1.749 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1740672234 ZMMFSKOTCXWYKG-QFBILLFUSA-N 445.545 1.247 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1740689082 ZBSBBVSONTZSNH-MRXNPFEDSA-N 436.509 1.517 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1740771725 BQTSETFKZVAFCK-HZPDHXFCSA-N 426.512 1.988 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1740876851 WWGZXZVZINJMGV-QFBILLFUSA-N 425.555 1.194 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740949621 NGLUDQJBGOQLSZ-PGRDOPGGSA-N 432.569 1.249 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740951487 GZTHMHZBSBXBRO-INIZCTEOSA-N 442.568 1.918 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964351 BDRBIGRZTGHQDW-UWJYYQICSA-N 444.540 1.054 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OCC(F)(F)F)nc1 1747218694 BTPLKVCDWMAUBQ-CQSZACIVSA-N 426.399 1.928 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1748759359 HUEMHIGDUCRBHW-UHFFFAOYSA-N 429.550 1.535 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1748891845 HHZKHDIKZLNFHW-GOSISDBHSA-N 434.562 1.086 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1748962762 PNKSANCBNAEJLH-FQEVSTJZSA-N 446.573 1.851 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cc(C)nn2C)CC1 1748979722 JYCQPNZRBZYNMG-UHFFFAOYSA-N 435.532 1.808 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1748989193 HVUMFCRTNMQNCL-OAQYLSRUSA-N 436.560 1.482 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749429388 LCTHKSGNGZICIM-HOTGVXAUSA-N 426.525 1.593 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1749454938 MYYPBEHFSWZUBO-UHFFFAOYSA-N 444.536 1.903 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cccc(F)c2[C@H]1C 1749678027 SMDAFGLCZNZBSH-OAHLLOKOSA-N 426.496 1.966 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1749683232 MQTFWCPPJCPMGQ-NVXWUHKLSA-N 446.552 1.578 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(CC)CC2)C1 1749692897 CSEPDERMPHMBLI-OALUTQOASA-N 433.601 1.224 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749732421 WLBYDYIUZCWNJF-HOTGVXAUSA-N 441.554 1.050 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1750948076 DBDJDJPMTDIAQD-ZOCZFRKYSA-N 435.548 1.746 30 10 IDEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)s1 1751863605 AUEZPNJJQGMDCC-UHFFFAOYSA-N 443.558 1.844 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1cccc(C)c1 1760174443 GFNYHAMWBSSVAJ-HKUYNNGSSA-N 447.561 1.456 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1760211140 BZDUBUYUKSSRJX-HSZRJFAPSA-N 446.515 1.417 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1760264003 YHNJDPCAUYTCPX-UHFFFAOYSA-N 438.454 1.954 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760321602 IJWIGZARISQBHF-XDNAFOTISA-N 439.582 1.281 30 10 IDEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)NC)CC1 1760384259 PZKFDYXDUJRJGS-UHFFFAOYSA-N 429.344 1.741 30 10 IDEE C=CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1760422912 OBWFFZAQSAHSDG-UHFFFAOYSA-N 446.577 1.878 30 10 IDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1760510831 QKUJTBCSZGYIAW-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760551568 KLYDYJOGKPFFAK-HNNXBMFYSA-N 442.563 1.461 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1761285264 YLEHTHWXWGGIBX-SFTDATJTSA-N 434.516 1.806 30 10 IDEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCCS(C)(=O)=O)C2 1761576384 OHFXEJYVXLNYBY-HXUWFJFHSA-N 444.517 1.282 30 10 IDEE CCSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766816921 LIHSCWJIILPYBA-GDBMZVCRSA-N 441.627 1.208 30 10 IDEE COc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1O 1768688237 HQTKUGJLDVKVRQ-JTSKRJEESA-N 443.504 1.810 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768980218 XCAXFJGNOHXABR-HYHOCUEZSA-N 447.499 1.958 30 10 IDEE COC1(C(F)(F)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCOCC1 1769696244 WRVIOAWMKUSAAR-OAHLLOKOSA-N 438.479 1.800 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1771367078 KVLUCPPYNCPCLH-MRXNPFEDSA-N 443.533 1.018 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)CC1=O 1852375501 FBTHMHFJHHSMKJ-IAGOWNOFSA-N 434.514 1.029 30 10 IDEE C=CCOc1cn(CCCO)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870385626 GHOIAEZOFVIVAY-UHFFFAOYSA-N 441.528 1.842 30 10 IDEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871025324 DODOYKAIBJKBGX-UHFFFAOYSA-N 448.530 1.137 30 10 IDEE CCn1nc(Br)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1881513716 SDNYMGCLGYJASW-NEPJUHHUSA-N 428.335 1.505 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4cccnc4)nn3C)CC2)CC1 1889437386 SPNSFYOWTJTMPN-UHFFFAOYSA-N 436.560 1.354 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1985827984 PELFNKMNKLTZMP-ILXRZTDVSA-N 426.514 1.670 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986129858 IUIMWEDPMITVFI-JYJNAYRXSA-N 425.526 1.780 30 10 IDEE C=C(CS(=O)(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2247901356 JKFCBAMYBHYQID-OAQYLSRUSA-N 436.383 1.730 30 10 IDEE Cn1ncc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255545928 XVNBOJJDPJOZFP-CQSZACIVSA-N 434.346 1.706 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255603887 BBYIYXWHWSNVQK-OLZOCXBDSA-N 435.334 1.100 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255605519 MKCXGRNQCGFXDK-STQMWFEESA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255632948 UROMAWYUOWJPRF-CHWSQXEVSA-N 438.309 1.786 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255819212 XPOPISOFDQVKGP-AWEZNQCLSA-N 438.330 1.927 30 10 IDEE COC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2255832854 SLEMUOXFBOBMJU-UHFFFAOYSA-N 427.310 1.843 30 10 IDEE CON(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2256068267 ZHEKVTQJWGLCHY-UHFFFAOYSA-N 434.302 1.399 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267184693 WVMRMCRITHJGOV-GJZGRUSLSA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1CO 2267554260 YBQXFBSYVBWVHS-GOEBONIOSA-N 449.357 1.662 30 10 IDEE COC(=O)[C@@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2268662696 CWFWCMYCIJKUER-CQSZACIVSA-N 449.313 1.776 30 10 IDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCCC1 2286032334 CMGFWWGWCMZSJC-RTBURBONSA-N 436.530 1.956 30 10 IDEE COc1cccc(C(=O)C=CC(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)c1 2320934203 KGWFSJNKHGPIMF-IBGZPJMESA-N 447.447 1.834 30 10 IDEE Cc1ccccc1OC[C@H](O)Cn1c(NN=Cc2cccnc2)nc2c1c(O)nc(=O)n2C 2327753870 JTVPXXWZJMPXNN-MRXNPFEDSA-N 449.471 1.425 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1 16558570 RZODVQPEFUDFEC-UHFFFAOYSA-N 425.466 1.392 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(I)cc2Cl)CCO1 410416878 IFRBBQKDTAPBNV-LLVKDONJSA-N 441.678 1.503 30 10 IDEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2c1=O 428277559 RMEBKQYXAJADPV-UHFFFAOYSA-N 436.493 1.557 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)n(C)c1 438616655 CTRVXKLFQMADND-UHFFFAOYSA-N 431.518 1.662 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCCC(=O)Nc1ccccc1C#N 439937086 XMFKVDVHPQTIMH-SMOSDQRPSA-N 427.457 1.619 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440374771 LZCCTNNWNZYKQR-UHFFFAOYSA-N 427.445 1.041 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)CC2)n1 460997106 RWXBWHZUUFDMGY-UHFFFAOYSA-N 440.529 1.525 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 466106599 JTWPHXDCCIZJFH-UHFFFAOYSA-N 432.477 1.792 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 505322445 GZGOEDVIZNEQGW-LJQANCHMSA-N 443.467 1.379 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C)CC1 508443481 DKLGSGBRQBKMNV-KRWDZBQOSA-N 428.537 1.778 30 10 IDEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C)c1=O 513720289 JFPNLMWSHFBRKR-UHFFFAOYSA-N 436.331 1.246 30 10 IDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 522674838 LODNRTBTESMSDK-UHFFFAOYSA-N 437.500 1.912 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 558996973 ZNTSYGHZIABLFQ-MRXNPFEDSA-N 428.541 1.919 30 10 IDEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 564714484 IRKRPUHZBQJTDA-UHFFFAOYSA-N 428.537 1.712 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@@H](C)Cn3ncc4ccccc4c3=O)CC2)c1C#N 589616182 YDRDXOYDVKHAPW-AWEZNQCLSA-N 437.529 1.953 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609399547 FAQJQINKKIHFLN-OAQYLSRUSA-N 425.581 1.734 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCc4ccccc4[C@@H]3C(N)=O)C2=O)cc1 609609957 GLCVQOLMBUGEEH-AZUAARDMSA-N 431.452 1.375 30 10 IDEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(c2ncccc2C#N)CC1 609805529 GKVAXNMMXOLXDU-LJQANCHMSA-N 434.548 1.391 30 10 IDEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)c1C 619105612 BUCWDFLUDPYLMU-UHFFFAOYSA-N 441.557 1.814 30 10 IDEE N#Cc1nnn(-c2cc(I)cc(I)c2)c1N 713471993 OXQISUGPOGLVLP-UHFFFAOYSA-N 436.982 1.930 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)cc1F 726584011 MNLNGBXIWRSNTF-UHFFFAOYSA-N 438.484 1.652 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)CC1 727035791 VAVKJQLJILTIGA-UHFFFAOYSA-N 431.399 1.601 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nncn2C2CC2)C1 731853781 FLPIDDKIVQUYEU-CQSZACIVSA-N 428.518 1.448 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 731904505 IRDSWAGMBZGHOJ-UHFFFAOYSA-N 446.963 1.431 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CCN1C1CC1 732669262 LEXITBQPIMOQFA-NSHDSACASA-N 441.307 1.141 30 10 IDEE COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707686 BRNIGZPRICTEOQ-HNNXBMFYSA-N 440.422 1.868 30 10 IDEE CSCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 751832643 ZOQCJBAGQSHJBP-UHFFFAOYSA-N 439.566 1.046 30 10 IDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 769742927 UQUOJEBNRYHUHS-MRXNPFEDSA-N 446.510 1.789 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772909864 LCUJRDZNQBQDKW-UHFFFAOYSA-N 434.521 1.449 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CCCOCC 782919884 VLZOMEYASUUHGD-UHFFFAOYSA-N 448.548 1.690 30 10 IDEE CC(C)CN(C(=O)CON=C(N)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 782947944 GQPPFKIHNKBIJQ-HNNXBMFYSA-N 446.367 1.758 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 784124750 CVMFMATYEZOCLV-LJQANCHMSA-N 430.574 1.953 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 792035169 WWGCXXJSESCVNX-LJQANCHMSA-N 448.539 1.880 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1Br 797443275 SJEGTIIRASFXAS-LLVKDONJSA-N 426.741 1.914 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)=NO1 798950445 QOUSZFJUTZLTKM-MRXNPFEDSA-N 428.493 1.708 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 805149175 YBMIAALBCIMFPS-LJQANCHMSA-N 429.546 1.507 30 10 IDEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 810363396 PXEPPMHKEBDQKR-UHFFFAOYSA-N 436.534 1.694 30 10 IDEE C=CCS(=O)(=O)NC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 810643372 JRQJOVKEHZHKNH-WJQMWINMSA-N 426.494 1.098 30 10 IDEE N#CCCNC(=O)COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 811365099 WAOQZDJTOZBXBG-QGYXVZHVSA-N 433.464 1.039 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CCNC3=O)CC2)cc1 916709994 DBWHNGRXWPPAAL-PTGBLXJZSA-N 448.549 1.521 30 10 IDEE C[C@H](Sc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1)C(N)=O 1126877286 JHRQVHCTOBJENG-WCQYABFASA-N 439.563 1.623 30 10 IDEE C/C=C/C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1138132137 UDYMETUUZYFXRW-MEDHRJKHSA-N 433.530 1.973 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CC(F)(F)OC(F)(F)C1 1155965656 FMWRTRONPLXYSB-UHFFFAOYSA-N 440.293 1.908 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1156253330 CXAQTICZUASASD-SFHVURJKSA-N 427.530 1.849 30 10 IDEE N#CC1(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1 1167053215 NNPSVUHGLBRTOF-UHFFFAOYSA-N 446.573 1.890 30 10 IDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1176173039 MZGVKVQRAQQYTC-CQSZACIVSA-N 433.324 1.742 30 10 IDEE COc1cccc(CC(=O)N2CCc3ccc(Nc4[nH]c(=O)n(C)c(=O)c4C#N)cc32)c1 1185241062 DRHCMCUJJVXSOF-UHFFFAOYSA-N 431.452 1.829 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1286383971 FUKUHWQTJTVZFM-INIZCTEOSA-N 442.607 1.027 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)COCC3)CC1 1286492607 NJPXDUUIBOTJKH-UHFFFAOYSA-N 437.544 1.901 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1286581719 NCAAJZOWWXWFHA-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1286711200 IXLDDPVHWFXBOU-MRXNPFEDSA-N 433.534 1.436 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1286816532 GBAPFFNEROYOSS-GOEBONIOSA-N 427.571 1.927 30 10 IDEE CC(C)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1291205798 OABHKSUCGOKZFC-MXLIYFDZSA-N 444.536 1.702 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@](COC)(C(=O)OCC)C2)s1 1296827772 WSGCIECONRXDFH-LJQANCHMSA-N 444.575 1.573 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1299073288 MQPOTDSJEIBUAE-PMACEKPBSA-N 438.532 1.975 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1300538492 RABXIQVCVKDXPT-UYAOXDASSA-N 441.557 1.488 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCSC2)CC1 1300707575 GIEDKJOYTGPUBD-QFIPXVFZSA-N 427.574 1.789 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2CCOCC2)CC1 1300726336 NGGFKSCEXTXVCC-HXUWFJFHSA-N 429.565 1.955 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2cccs2)CC1 1300728796 GALRQZDTPXLJBZ-UHFFFAOYSA-N 440.573 1.688 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1301601573 QLBZQXWWRQTCHP-INIZCTEOSA-N 449.602 1.970 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1303003199 DEQGNTPNBCADQH-UWVGGRQHSA-N 427.412 1.482 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc4nc(O)sc4c3)C2=O)cc1 1309461829 GTBFPXUHYATVRC-MRXNPFEDSA-N 428.495 1.953 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1314394003 ULMFIMUBJHZTAN-QGZVFWFLSA-N 438.536 1.323 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C[C@@H](C)O1 1315935859 LYAFFFXBSAJQRZ-AHRSYUTCSA-N 427.505 1.862 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@H]1C 1316128525 HEDBFOVGWKTXKA-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1358889544 DFFMUFCGTBJALB-MJGOQNOKSA-N 443.573 1.523 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358964739 GLJOEBWFYKDKMJ-ZWKOTPCHSA-N 431.587 1.644 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1359010594 UNTMAXNXGMWBQQ-HNNXBMFYSA-N 430.513 1.223 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359095526 PGJLNPJWTZNACZ-NQIIRXRSSA-N 439.564 1.532 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1 1359260129 UDKIBEUGRLAHBF-JOCHJYFZSA-N 429.496 1.997 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(CC)c1 1359300385 ARVNBEXQFHTRIA-IBGZPJMESA-N 437.504 1.946 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359304251 RQWMTQYSYJMXTC-KDURUIRLSA-N 429.521 1.626 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)C1 1359319734 FCSAMJMIBWIJGG-VQTJNVASSA-N 432.569 1.118 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1359467819 ZJKZRIRKTYRNEI-OXJNMPFZSA-N 439.582 1.739 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cncn1 1359468008 CKDMAPRYCJHLBS-HNNXBMFYSA-N 443.537 1.083 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1359747693 GVCSFLBETPDOQT-IBGZPJMESA-N 447.561 1.739 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ncccc2F)CCOC1 1360347974 QLBBJYZXLDLXOD-IIBYNOLFSA-N 446.483 1.661 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1360477035 UWTUSYPLXBAYTO-LSDHHAIUSA-N 428.559 1.164 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)n1 1448860603 RGPYXQLKLGVGAK-PKOBYXMFSA-N 425.407 1.302 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 1452175564 KJMXUOQCCPGWNJ-BSIFCXSSSA-N 426.542 1.687 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1468118595 VEZIOMSZXJWRNF-HOTGVXAUSA-N 448.520 1.459 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)O2)C1 1470235022 OSNSGPBFYHQGSA-DNZUHHBVSA-N 434.493 1.188 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NOc2cccc(C#N)c2)cc1 1471085485 FKZQLVGCFDNRPA-XLIONFOSSA-N 429.498 1.916 30 10 IDEE Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)c1 1472191559 GXMRUUXNCDRTDN-LLGFUMIMSA-N 430.530 1.636 30 10 IDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)C1 1472246881 XSJQWXPMJPCKJB-UHFFFAOYSA-N 433.349 1.118 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC#C[C@@H]1CCCCO1)n2C 1472319245 NAVALPUAFIRANE-INIZCTEOSA-N 432.546 1.445 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 1475618365 SRWDFWMSUQIZDX-UHFFFAOYSA-N 429.292 1.319 30 10 IDEE C#CCN(C(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C)[C@@H]1CCS(=O)(=O)C1 1476720179 GXTDJCASPSPKFO-MRXNPFEDSA-N 432.502 1.438 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(CCS(C)(=O)=O)C3CC3)n2Cc2ccc(C#N)o2)n1 1492741402 ZYILILFKISLXJT-UHFFFAOYSA-N 443.533 1.666 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C2CCCCC2)n1 1492753520 AMZATIBXEWKITE-IBGZPJMESA-N 440.552 1.660 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)n1 1492754128 QUKZKWDNZMOGBN-PMACEKPBSA-N 442.568 1.105 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1503476533 BKIXVLQIQNGTGH-UHFFFAOYSA-N 449.437 1.701 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1504887388 BXBDXHCDSQRATO-DLBZAZTESA-N 425.555 1.711 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1504989808 FCWLBRNJVABFOG-INIZCTEOSA-N 430.509 1.820 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507584003 ZQTTZUUFWVTBPD-SFHVURJKSA-N 447.543 1.958 30 10 IDEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N(C)CCNS(C)(=O)=O 1507747252 ITSGQMGPVHQXTF-UHFFFAOYSA-N 444.586 1.845 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507846810 YRBPHWISLZEONO-UHFFFAOYSA-N 434.566 1.375 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccoc2CC(C)(C)C1 1508058869 ITIATFFWQNTQDR-QGZVFWFLSA-N 435.550 1.979 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508820450 DRFQOUFSHHCQPV-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(SC)CCOCC1 1513406489 BNWNLXVJPCFCJX-INIZCTEOSA-N 436.582 1.837 30 10 IDEE CCN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1515328387 MTQPMIBKKLZVCY-UHFFFAOYSA-N 435.488 1.992 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1ccnn1C 1516857363 KRWAUGOIUKYFRC-MOPGFXCFSA-N 434.418 1.895 30 10 IDEE CN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1517135891 KAHZCWCVZKDEGV-QURGRASLSA-N 449.515 1.563 30 10 IDEE COc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC(=O)N2)cc(OC)c1OC 1517953714 DVGQHIATPAJOQM-UKRRQHHQSA-N 428.493 1.845 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncc(F)cn4)CC3)CC2=O)cc1Cl 1522051040 GDXCRZHLANHBKW-AWEZNQCLSA-N 428.855 1.842 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1539015650 VPPBZQSRRGYQDL-GAJHUEQPSA-N 446.596 1.917 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539045313 BUCDWYFBFMMIJT-MOPGFXCFSA-N 444.580 1.685 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1539315634 QCPLYBZQNYTZBW-DEOSSOPVSA-N 448.527 1.442 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1539331527 SCMCDIWNQXWCMU-UHFFFAOYSA-N 444.337 1.523 30 10 IDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)CC1 1539498706 YSGHLKCXQOBZFW-UHFFFAOYSA-N 442.408 1.981 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1539577103 GXVGKWXBIPLKKI-AWEZNQCLSA-N 439.358 1.916 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540006176 ROCKRTBBSMIIJN-BZSNNMDCSA-N 438.598 1.250 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(C(N)=O)nc2)CCOC1 1541105231 GOACXANSTQAEGQ-QVKFZJNVSA-N 427.509 1.457 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1547352709 ZXUKEQYWFMBJSY-SFHVURJKSA-N 433.534 1.493 30 10 IDEE Cn1cnc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 1554351241 LXVKCALNTMYIIK-MNVSYLFESA-N 445.503 1.668 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1554494252 BTRUFWRKYLSVAY-GOSISDBHSA-N 425.493 1.084 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)c(Cl)c1 1556401352 GRPILYSWSDYLBQ-UHFFFAOYSA-N 444.904 1.469 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)CC1 1556946317 DWPNMUPMNYJCNW-UHFFFAOYSA-N 445.520 1.850 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1558606294 RCVGQIIOCHHBJT-MRXNPFEDSA-N 442.534 1.275 30 10 IDEE C#CC[C@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1569857877 XMPONNZWUYVKBU-OAHLLOKOSA-N 430.936 1.541 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 1585593702 MLQVVAFEGVIDMX-UHFFFAOYSA-N 435.527 1.715 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1587639081 KFYCZEJIAPCZSN-FUHWJXTLSA-N 432.546 1.864 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OCC)CC1 1587878990 MLWSNARAONQZEJ-UHFFFAOYSA-N 430.534 1.962 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1587975377 ZCWWFGBBFUMAHZ-HJPURHCSSA-N 436.516 1.674 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2ccnc2)CC1 1588733263 PVMZKAIXNDWJSI-UHFFFAOYSA-N 432.532 1.406 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593757637 KVKAJUMCDMDWTL-GOSISDBHSA-N 439.520 1.329 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595155881 AKTAKOLYSHNWGO-IBGZPJMESA-N 448.574 1.482 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595506718 KLMBGQWGVBAUFW-NVXWUHKLSA-N 443.460 1.379 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnc(C)s2)C1 1595675055 WVFGOANTIBPWHC-TZMCWYRMSA-N 426.568 1.483 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)C)C1 1595688502 KOIHDPYBFKNFJZ-INIZCTEOSA-N 433.534 1.218 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1595800685 VPWGAXOJLOPDDP-INIZCTEOSA-N 441.981 1.824 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1611619142 JLNUCACQJQDXMR-NVXWUHKLSA-N 431.928 1.691 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCn2ccnc2C1 1611673686 ONXJHZCVUMAPJZ-RDJZCZTQSA-N 446.581 1.477 30 10 IDEE CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614978953 BOFYMCYSZGWWIH-UHFFFAOYSA-N 448.535 1.107 30 10 IDEE CCOCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1617206776 WFLBHBLSAYLFBQ-JOCHJYFZSA-N 441.536 1.560 30 10 IDEE COCCN(C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1619878193 DGRGNQODBYLLTE-NRFANRHFSA-N 432.500 1.982 30 10 IDEE 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C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CCOCC1 1644568068 ZEQIIVQYOMNMBU-QZTJIDSGSA-N 449.573 1.585 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1 1645490115 SDLVYYRUVNBYAN-UHFFFAOYSA-N 426.439 1.881 30 10 IDEE CN(CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)C1=NS(=O)(=O)c2ccccc21 1646095151 GMJHBDQGVGQPFX-INIZCTEOSA-N 438.513 1.437 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1F 1655323606 AMGCFZKEVPTCIE-CVEARBPZSA-N 449.426 1.934 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCCN1CCN(C)CC1 1665506319 ILNYDTDYLVGBTR-UHFFFAOYSA-N 442.626 1.288 30 10 IDEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2C1 1666297030 IDADQDQUFSSVNW-UHFFFAOYSA-N 431.543 1.430 30 10 IDEE C#CC[C@@H](COC)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1671669828 VTBGNIZKOCGKNM-ZDUSSCGKSA-N 426.311 1.915 30 10 IDEE C#C[C@H](NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)C1CCOCC1 1675739093 QTWCYUXVUAPNQR-VQTJNVASSA-N 431.533 1.805 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCOc2ccc(Cl)cc2C)CC1 1675949997 FMDORPSQPOXQOK-UHFFFAOYSA-N 428.942 1.212 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccco1 1689964250 JJWICBZIFZPPDM-UHFFFAOYSA-N 434.504 1.545 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1690101378 YRJXCWOYOXVQLB-UHFFFAOYSA-N 449.515 1.726 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)no2)n1 1690109050 DZLZMXGPYKTGLZ-GOSISDBHSA-N 439.520 2.000 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690122307 NFGMFAWEWUNKEU-MSOLQXFVSA-N 427.578 1.349 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C)c2)CC1 1690143852 DSLHOWVUAJALIV-HXUWFJFHSA-N 434.544 1.746 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1690260373 IZAMYXDBLYUZQT-OAQYLSRUSA-N 448.545 1.668 30 10 IDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690510080 SEABJUJTQLVFMT-INIZCTEOSA-N 425.580 1.850 30 10 IDEE 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C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1705598250 FMONGPINBRHGIU-QGZVFWFLSA-N 431.562 1.092 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCCC1 1705601142 ZKENOVNFVBNKIV-UHFFFAOYSA-N 442.589 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705648898 CLORQLHXRVZZEM-ZWKOTPCHSA-N 441.507 1.590 30 10 IDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705839268 ULRBECHUXUWBBR-HNNXBMFYSA-N 433.534 1.620 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705906872 RHOLCZCEBJOEIN-INIZCTEOSA-N 433.534 1.091 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(N(C)C)cc1 1706871728 RJSFNVXKBOHPOH-QRWLVFNGSA-N 449.556 1.639 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722363282 ZYRCMROCYZDHKN-CQSZACIVSA-N 431.547 1.119 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364087 WZZBHCFFGDYDGE-RDJZCZTQSA-N 445.545 1.251 30 10 IDEE 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C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722702945 ROVVDOWVXUDIGX-ZLFGVDQTSA-N 447.580 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H](C)C1CCC1 1722726728 BHXLPLXENMLWII-WBVHZDCISA-N 444.623 1.796 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1722739986 ZNIUPWPGLMTZGY-CVEARBPZSA-N 429.612 1.767 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1740640814 XCDOTRUEQJUCHI-FQEVSTJZSA-N 440.525 1.688 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1740654869 SAAMJELJAOSEHW-QURGRASLSA-N 429.484 1.253 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1740660366 OQEPCGWIABDVFI-LIRRHRJNSA-N 439.969 1.909 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCO2 1740680180 UJYBLQZJWDTHPD-HSZRJFAPSA-N 442.516 1.836 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740717821 AXQLUMWXMOZEIW-RDJZCZTQSA-N 431.566 1.723 30 10 IDEE 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C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1760191215 CYQYCFWXEVTMFY-RTBURBONSA-N 448.593 1.582 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1760208521 VAVLKBMGCSOXDM-HDICACEKSA-N 440.548 1.648 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1760218917 QCKCNTXAACCNJM-KRWDZBQOSA-N 436.603 1.555 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C 1760226085 JNFCZIJQTSAEES-UHFFFAOYSA-N 427.534 1.686 30 10 IDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1760347364 UHLZLUMFWZHGBA-IBGZPJMESA-N 425.581 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760554351 ASDAHRBNNDVTMH-LJQANCHMSA-N 449.552 1.714 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1760929967 DONHXKMLLWKSST-UHFFFAOYSA-N 431.566 1.491 30 10 IDEE CC(C)Cc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1761012801 NZLMOLOGDFWGRU-SFHVURJKSA-N 425.493 1.756 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)C1 1761544568 HCLAAKKCMYSYIV-PXNSSMCTSA-N 446.533 1.470 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1767016667 PPOQZVLPGXCBAS-ZDUSSCGKSA-N 434.522 1.044 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1767571036 AIGOEIGKHFRFPI-CMJOXMDJSA-N 435.532 1.646 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1767941486 DDUJDTUVJORUMX-JTSKRJEESA-N 425.537 1.959 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1769412487 YMGHCJTZXJPCLG-HZPDHXFCSA-N 433.534 1.946 30 10 IDEE COC[C@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1770723390 GUFDYVVCVYFFRU-GDBMZVCRSA-N 431.493 1.982 30 10 IDEE N#CC1CCN(C2CCN(C(=O)CCNS(=O)(=O)c3c(F)cccc3F)CC2)CC1 1849023526 ZLPDFSARNXAFQR-UHFFFAOYSA-N 440.516 1.860 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)n[nH]2)c1C 1849359964 GUOCYDMJNWQEOG-UHFFFAOYSA-N 432.550 1.716 30 10 IDEE Cc1noc(-c2ccn3c(CC(=O)N4CCN(c5ccc(C#N)cc5)CC4)nnc3c2)n1 1850559484 DQDBAWBOZIPNQA-UHFFFAOYSA-N 428.456 1.851 30 10 IDEE Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1)C2 1852263511 LYXZEEWFGVTMKR-QFIPXVFZSA-N 449.536 1.766 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1=O 1854291005 NYJAOUGTIRYMLP-INIZCTEOSA-N 425.880 1.348 30 10 IDEE CCC[C@@H](F)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855825634 PMVHSIJKEQFKLR-SJLPKXTDSA-N 436.509 1.130 30 10 IDEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1=O 1856175150 JQWHNDCEVLCYKW-CQSZACIVSA-N 444.435 1.053 30 10 IDEE CN1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929596 JNTATFNRIYSMJO-GOSISDBHSA-N 430.505 1.250 30 10 IDEE COc1cc(/C=N/N[C@@H]2CCS(=O)(=O)C2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1873470469 IVHLOYSZJRGBEW-PZUDMAOCSA-N 433.442 1.933 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873595652 LZMCRWBKPYLOAF-UHFFFAOYSA-N 434.500 1.921 30 10 IDEE CN(C(=O)C1CCN(C(=O)NCc2cccs2)CC1)C1CN(c2nccnc2C#N)C1 1891611834 KXWIOOVXPNKMHI-UHFFFAOYSA-N 439.545 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060627315 HVOSJSXEHPCRMD-CTASWTNQSA-N 435.330 1.273 30 10 IDEE C=C(CS(=O)(=O)N1CCOCCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243435318 OXKYNVMTIDKTLV-UHFFFAOYSA-N 432.348 1.988 30 10 IDEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243696803 FDYYKIFYUZSMHN-VHSXEESVSA-N 430.311 1.449 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2246499970 VSTWSOPQOROJTA-VAMGGRTRSA-N 428.533 1.983 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2247841364 VNGFZUVRWQADNB-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248478964 AJLVCJWGPZSXGL-JEOXALJRSA-N 438.359 1.891 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255545781 VRPCEOFJYANHJW-UKRRQHHQSA-N 434.346 1.847 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)c2)OC1(C)C 2255599438 AUFCPUPJSIUSCI-IBGZPJMESA-N 425.338 1.945 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255699224 OIRKSXKXLBYJAA-HZPDHXFCSA-N 433.314 1.091 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255710125 GYFFRJLYULBQKF-CABCVRRESA-N 436.314 1.943 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2255833165 YLCUZCDQYQDESE-UHFFFAOYSA-N 426.326 1.416 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255843750 LLHUDKIBVFCLQZ-HNNXBMFYSA-N 430.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2255846269 HRSPHSDHOQPPAD-CQSZACIVSA-N 436.314 1.633 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256026099 NLGPPXVQBQPJBU-CYBMUJFWSA-N 433.314 1.987 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2267509762 AHVIVDUQXKBZFX-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267589920 HVEVWTBDGXBGFL-GOSISDBHSA-N 438.337 1.407 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 2267599892 XENUDLPXYWWBQX-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2272632321 FNZOSEWPYCLMAG-PEBXRYMYSA-N 444.341 1.763 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1cc(Br)c(OC)c(OC)c1 2323791123 OYPWVTCHOWWLDY-HIFRSBDPSA-N 439.306 1.744 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2337197583 YNBQKUOJGGVFKV-GJZGRUSLSA-N 446.357 1.562 30 10 IDEE Cc1nc(Br)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1C 2337364070 YOMZRVUGGLMLIC-CHWSQXEVSA-N 427.347 1.936 30 10 IDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2367809211 LAOJEIVLVXCHMD-SIKLNZKXSA-N 434.558 1.709 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 20806092 JXCBQSCNZKSSBL-ZVBGSRNCSA-N 429.462 1.226 30 10 IDEE COc1ccccc1[C@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@H]1C#N 72444267 BHBIGWAGDLNQMN-GOEBONIOSA-N 437.456 1.346 30 10 IDEE C[C@@H](C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1)n1cnc(C#N)n1 409662435 ZMBGQDCDRCAQAB-HNNXBMFYSA-N 439.501 1.182 30 10 IDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CCN(CCO)[C@@H](C)C1 427439374 PZNRHCFNZLIMET-SFHVURJKSA-N 436.512 1.909 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440381975 MTKWBJMJQHXZJK-GOSISDBHSA-N 446.488 1.695 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(C)C)c2=O)c1 478732582 JGCLWABAPRLJDJ-INIZCTEOSA-N 441.553 1.777 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(-c2ccc(F)cc2)c1=O 478741542 CHTVIKQQTOTDJU-AWEZNQCLSA-N 438.484 1.270 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482553944 GYPPDFSZJYXDPY-CYBMUJFWSA-N 428.539 1.051 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1C1CC1 491600102 YRIXJQTXOHGLHT-UHFFFAOYSA-N 440.550 1.429 30 10 IDEE CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCC[C@H]1N(C)CC(=O)N[C@](C)(C#N)C1CC1 495414517 IPBWZQYDCMYQGH-FAYOUJPWSA-N 442.608 1.778 30 10 IDEE CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)N2CCC(C)(C#N)CC2)c(O)nc1=O 506028855 ZQOLCALTEHBCEU-OAHLLOKOSA-N 434.541 1.325 30 10 IDEE CC(C)Oc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 506678647 QKZGMMZFDUMFMQ-UHFFFAOYSA-N 443.529 1.957 30 10 IDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508923868 WZILVFMPTNDVCG-GOSISDBHSA-N 435.488 1.397 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCNC2CCN(C(=O)CCc3ccccc3)CC2)nc1 514689694 HINWPCMNAZKNJA-UHFFFAOYSA-N 426.542 1.940 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@]2(CCOC2)C1 517967262 ATKQLSDSSGTZPC-FQEVSTJZSA-N 432.550 1.810 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 534883043 TWURUULLEBANSD-HNNXBMFYSA-N 428.532 1.408 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 555244895 UPPQEOQKVXNCIQ-HNNXBMFYSA-N 440.595 1.842 30 10 IDEE COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(F)c1 574326393 NAXWMNIJZFPMCL-MRXNPFEDSA-N 433.461 1.124 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@H]1CCCO1 603799744 SLEFQHHOAFTFNG-GOSISDBHSA-N 425.554 1.817 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1F 619695219 XXKMPSLGWLCCKL-OAHLLOKOSA-N 443.500 1.018 30 10 IDEE CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(I)c1 694967414 MFPCVZWTEZEMJK-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@@H]1CCS(=O)(=O)C1 729333912 BVHLMDSDAYRHAR-CYBMUJFWSA-N 439.490 1.217 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 731902147 WTDYVISYMSPTFR-UHFFFAOYSA-N 438.506 1.246 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)C[C@@H](C)O1 732650068 ZGKJJCUWFQEFFC-FCEWJHQRSA-N 432.546 1.297 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746190217 FGFMILWBZBTBOF-XTQSDGFTSA-N 430.468 1.672 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)C1 758774219 ULIGVSZIPQIMHJ-NXOAAHMSSA-N 434.493 1.873 30 10 IDEE C=CCN1C(=O)C(=O)N(Cc2nc(CC3CCN(C(=O)OC(C)(C)C)CC3)no2)C1=O 761763146 WRZDZYSQSXGRLO-UHFFFAOYSA-N 433.465 1.736 30 10 IDEE CCN(CCC#N)C(=O)COC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771437755 GMAWVKRYLBOYDW-NRFANRHFSA-N 430.461 1.076 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 774191365 HGUKIEXXKWWZSM-HZPDHXFCSA-N 425.938 1.759 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)n1 788820487 GUHYVQYTOYDQHI-QHCPKHFHSA-N 437.500 1.267 30 10 IDEE O=C(N1CCO[C@H](C(F)F)C1)C(F)(F)C(F)(F)C(=O)N1CCO[C@@H](C(F)F)C1 801008481 QTWANVFIVDXYGV-OCAPTIKFSA-N 428.276 1.242 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc2C1=O 806124328 XIULNOTWZIOUTO-CYBMUJFWSA-N 434.392 1.448 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 812177345 DCEIFQIQGMGZDH-JKSUJKDBSA-N 447.540 1.376 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2ccsc2C#N)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1147254567 GXXQIGZABGUAHO-AWEZNQCLSA-N 443.554 1.786 30 10 IDEE O=C(NC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)OCc1ccccc1 1152080617 GTJREGCJFLLBBV-QZQOTICOSA-N 426.473 1.820 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1(C)C 1161467473 DYFGIKXCXPIIBV-UHFFFAOYSA-N 436.534 1.694 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1164670920 ATXWVYDQYHQORU-CGTJXYLNSA-N 442.375 1.933 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@H]3CCCN3C(=O)/C=C\c3ccc(C(N)=O)cc3)C2)c1 1168643395 VKBPHVBXEIIRQW-KKCDMYQCSA-N 443.507 1.984 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ccc(N3CCN(C)CC3)cc2)c1 1196183717 LMMFHQMQHPZVPE-UHFFFAOYSA-N 442.585 1.875 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C[C@H]1CS(=O)(=O)C2 1234523885 LBOQEICHMYXPRK-AWOKKLPBSA-N 427.885 1.889 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286336731 WHUWSQJECVCSRD-GOSISDBHSA-N 427.553 1.510 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286358845 QRYAZVQDBBUKQA-ICSRJNTNSA-N 438.532 1.773 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1286386674 FSMIRGPEVALZCJ-KRWDZBQOSA-N 429.546 1.359 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1286391320 HEPCQPOWTHPSAP-LJQANCHMSA-N 437.525 1.645 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1286400468 GXVMDYSWUDAJRM-XUZZJYLKSA-N 443.592 1.748 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC23CCOCC3)CC1 1286469750 KMXRPANQCYYMTG-GOSISDBHSA-N 428.581 1.768 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCn2ccnn2)CC1 1286474839 RBHPJCFPMDGVJF-UHFFFAOYSA-N 436.520 1.399 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1288407625 HUWRPSQXDATSDE-OALUTQOASA-N 440.500 1.855 30 10 IDEE COc1ccc(C(=O)NCCN2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1293115326 BSLUYUYKNHRPCJ-NYYWCZLTSA-N 439.487 1.991 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1300458251 FWDSUHOWAXSMMJ-OAHLLOKOSA-N 425.514 1.855 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC(OCC)C1 1300545670 UJPPZOYVEIFEGG-UHFFFAOYSA-N 427.530 1.272 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)CC1 1300725891 FUKUTSLDJVAIJL-LJQANCHMSA-N 438.507 1.252 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300762490 QLYSXESJQQOLJJ-RTBURBONSA-N 430.578 1.949 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@H]2C1 1300863670 RCYIBQOCMMZZBJ-IHRRRGAJSA-N 441.330 1.125 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1301189297 UPOPUMFHGOHTKT-GOSISDBHSA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CCOC2)C1 1301483940 YOLNDNKNLGHFIN-LJQANCHMSA-N 449.353 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1301491896 QGCXOWDCPYHBLK-UHFFFAOYSA-N 433.438 1.803 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1302089519 NDWAXECBYMFTCO-VHEBQXMUSA-N 427.553 1.777 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1=O 1303186096 WZZXFVAMSKRHMI-QHCPKHFHSA-N 435.532 1.600 30 10 IDEE COC(=O)CC[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1303266098 WJJZIAUYRHLKSU-WMZOPIPTSA-N 426.473 1.955 30 10 IDEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1305851230 DLNHZJFRMMTWPO-UHFFFAOYSA-N 439.564 1.578 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)C1 1309386119 CBJADDHTNYTTFN-ZBFHGGJFSA-N 443.547 1.269 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1314856471 IHYUZLHKQNYRDX-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@H](C)O1 1315929126 BPMPFGJNACSADO-LPHOPBHVSA-N 426.521 1.972 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1316186695 BGXLCCCGSRQOOI-QAPCUYQASA-N 425.555 1.709 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1355595205 IZRBPPIMLMDBMU-FIDHJVLJSA-N 430.505 1.497 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1358932928 CBAUBWRZRCUUAN-OAQYLSRUSA-N 449.603 1.723 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358959195 DKIMZRMLWPVERL-OAHLLOKOSA-N 433.509 1.189 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1358959536 LBQRCDKQEZDGHW-INIZCTEOSA-N 428.543 1.780 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358961081 RHOPFIPHIWNECN-KURKYZTESA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358962294 NJKCQEMCGAHMJR-ROUUACIJSA-N 430.530 1.553 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1359024055 DNYGIQLGSGDGRY-MSOLQXFVSA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCOCCN(C)C)CC1 1359043200 LFRTVOAXZWKWLJ-UHFFFAOYSA-N 438.576 1.798 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359048538 ULKVQXRZDLKWCO-QGZVFWFLSA-N 434.610 1.771 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359137126 GGRXALNVEVMMQM-AVRDEDQJSA-N 435.569 1.968 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359178459 RQJGIKGVQQGZOO-UDJKBAMHSA-N 425.493 1.158 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1359240885 ZHALMUYCYIKXPM-LJQANCHMSA-N 449.577 1.875 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1359375274 HJJMMPUPCASHKO-UHFFFAOYSA-N 438.532 1.807 30 10 IDEE CC(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1360401834 FLCRYUMVGYUFHG-GOSISDBHSA-N 441.511 1.992 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O 1437444210 QURKBFDLZCMHMO-UHFFFAOYSA-N 443.500 1.997 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OC 1438398933 FDVBVRIGICBGAL-LJQANCHMSA-N 436.530 1.914 30 10 IDEE C=C(CCC(=O)OC)C(=O)NC[C@@H](O)COc1ccc(I)cc1 1445796056 IFHBCGCUHKIZAB-CYBMUJFWSA-N 433.242 1.657 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2CC(F)(F)C[C@H]2C1 1452334496 GPCAMNJMSFVSQN-HOCLYGCPSA-N 440.516 1.692 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(CC#N)n1)n2C 1462421582 OVHKTIMLGQOXTM-UHFFFAOYSA-N 426.502 1.856 30 10 IDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1463852474 PKCIZKUPYLYRKY-GOSISDBHSA-N 432.484 1.613 30 10 IDEE C=CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1465185604 CCYKFFCVKCFTCF-UHFFFAOYSA-N 437.905 1.598 30 10 IDEE COc1ccc(-c2nc(C)c(C(=O)NCCn3cc(C#N)c(O)nc3=O)s2)c(F)c1 1470360123 DHWLBDPLCCBNNB-UHFFFAOYSA-N 429.433 1.830 30 10 IDEE C#CC1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 1473581163 JDVOOJYPAQRHII-UHFFFAOYSA-N 425.938 1.645 30 10 IDEE C#CCN1CCC(NC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1478012078 GHHQNAWXWRVCTM-UHFFFAOYSA-N 438.619 1.862 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1478403227 ILKFDJIMXZMRID-HZSPNIEDSA-N 425.486 1.596 30 10 IDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478419913 HFWKTLIPQXSOKS-JKSUJKDBSA-N 428.411 1.635 30 10 IDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478900599 CFNKZSDBZXLLMV-IFMALSPDSA-N 430.549 1.578 30 10 IDEE C#CCN(C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1479605553 RELWXZJAZFMUCG-CYBMUJFWSA-N 438.449 1.312 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1503373434 AMPRFSDTWRZFIQ-QGZVFWFLSA-N 435.492 1.287 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CC1 1503762430 FKDQXMOAUMBKOE-QFIPXVFZSA-N 426.521 1.567 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CCO1 1503780760 COZRZRLVIFRDQW-GOSISDBHSA-N 440.435 1.460 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@@H]1C 1504911485 VEYWNVIDIXHMHY-FDDCHVKYSA-N 440.548 1.779 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507631768 TTYNMNCIPPNXML-JQHSSLGASA-N 434.566 1.366 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2Cc2cnn(C)c2)n1 1507717809 ZAODZLIUJIRQPQ-HXUWFJFHSA-N 438.536 1.784 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nccc(C(F)F)n2)CC1 1507741036 JWDIOCKPSSCVAE-UHFFFAOYSA-N 433.463 1.556 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507748878 SMWIONORHJOTPK-INIZCTEOSA-N 426.546 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508077703 QJMDDVGNXGJEGD-IBGZPJMESA-N 433.516 1.710 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1508137575 NUPLZBIQNLPHNS-INIZCTEOSA-N 447.561 1.517 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1NC(=O)CC1(C)C 1516538775 LBXDATXQPBSQFS-MRXNPFEDSA-N 425.493 1.264 30 10 IDEE COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1518847063 FZZWQQVOMRTRQH-LJQANCHMSA-N 438.532 1.928 30 10 IDEE C#CCCOc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1 1530902550 DQPFZWDNZSCUBL-UHFFFAOYSA-N 441.553 1.955 30 10 IDEE Cn1cc(CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c(-c2ccc(C#N)cc2)n1 1538242503 GEOGABFHNXEVCD-UHFFFAOYSA-N 428.452 1.941 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1539012375 FVMIHUOGQZXTNM-QAPCUYQASA-N 433.534 1.017 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)C1(OC)CCOCC1 1539201108 WKQIXKATTQHJTP-HOTGVXAUSA-N 428.480 1.902 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCOC2)n1 1539424580 SYGPYSYNGHISAT-MJGOQNOKSA-N 441.536 1.139 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc3c2OCO3)CC1 1539427978 LBDZWYZLHRPAEE-UHFFFAOYSA-N 438.532 1.729 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1539430574 JPDOPZFVXGGCAG-OALUTQOASA-N 428.560 1.503 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCCC2(C)C)CC1 1539477799 ZDLIGQJQOXRJEP-HXOBKFHXSA-N 442.564 1.136 30 10 IDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539701477 IQCSDOXOEBILFB-QGZVFWFLSA-N 436.538 1.736 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539981813 JHJVWEKFEVMULZ-GXTWGEPZSA-N 425.515 1.124 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1540036687 RLXFDOZZVVEJFS-ZWKOTPCHSA-N 438.594 1.904 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1Cc1ccccc1 1540871938 YCEHMYRHGZKMJE-MOPGFXCFSA-N 443.573 1.694 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC2(CCC2)C1 1540875538 OZDJOGLDWBFECZ-UHFFFAOYSA-N 427.505 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1540898748 SYOKDKNRNQKQJU-CQSZACIVSA-N 435.554 1.331 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@@H](C)O1 1544754028 BMBOIJHSLVXYNC-HZPDHXFCSA-N 430.534 1.466 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1547902653 YZJHQYNNJARLAZ-VXKWHMMOSA-N 442.520 1.970 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555273473 PZLJMARJGAQUMB-MOPGFXCFSA-N 441.511 1.408 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1557666052 QYVIAORPQZHNCF-SZNDQCEHSA-N 449.508 1.599 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1558075239 QRDYUZZQBFMLMT-DLBZAZTESA-N 442.582 1.072 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)C1=O 1587658922 RTPPASBIKKLOKD-CYBMUJFWSA-N 443.410 1.236 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1588060096 ZHAKYIQQAUBOCM-GOSISDBHSA-N 430.578 1.757 30 10 IDEE C=C[C@H](O)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1588119580 YYXYEGWFYBRHOI-LUHPIMIVSA-N 428.413 1.996 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccnc(OC2CCOCC2)c1 1588124234 HHMZPSICNAVUOV-UHFFFAOYSA-N 429.484 1.809 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1588185820 NUZUQZHRRWWQHG-NRFANRHFSA-N 436.578 1.606 30 10 IDEE CN(CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccn1 1588306008 JNQHPAPMEZSDSY-UHFFFAOYSA-N 441.557 1.997 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1588550345 OGOLFMQUKKXZNX-KRWDZBQOSA-N 443.508 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1588876811 KAKSLCUZZCENRT-SBUREZEXSA-N 442.564 1.031 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(C)nn2C)CC1 1588891357 OKFXFUASEYZPDH-KRWDZBQOSA-N 443.552 1.058 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H]2COCCO2)CC1 1588929752 FWRVOEOZAZXZCF-RTBURBONSA-N 431.537 1.291 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595500731 DBINMHXPKNIHKF-GOSISDBHSA-N 427.553 1.365 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1595544593 KQFTWFBDTWARHQ-LJQANCHMSA-N 432.569 1.023 30 10 IDEE CON(C)C(=O)[C@H](CCSC)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1597108705 BITLMVDAHGCPBW-INIZCTEOSA-N 427.567 1.895 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCNC(=O)Cc1cccc(F)c1 1608194313 HNNLAMXJQWIZNS-HNNXBMFYSA-N 429.500 1.653 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)c1 1612003660 RLLCYUNPTORMAK-KRWDZBQOSA-N 448.549 1.142 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H](N4C6)[C@]2(O)[C@H](O)[C@@H]1[C@H](OC(C)=O)[C@H]73 1615811883 FWYGVCOTAAEFJY-ONNNDZBMSA-N 429.513 1.021 30 10 IDEE biogenic COCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620077441 QQRYJUHPVRJIIJ-GOSISDBHSA-N 426.521 1.793 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 1625436831 SBVITZRQCHPWMZ-XMSQKQJNSA-N 447.557 1.978 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1627842640 GHEBSQXZDQVKSH-UHFFFAOYSA-N 433.559 1.591 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)C1=O 1634836960 GPBWPNQKCGTXKW-FVQBIDKESA-N 448.520 1.504 30 10 IDEE CCOC(=O)CNC(=O)C1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1636829858 BETFWUDWUUIBTR-UHFFFAOYSA-N 428.489 1.585 30 10 IDEE C#CCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1639878827 UUROMCPSPKIEJQ-MSOLQXFVSA-N 434.514 1.557 30 10 IDEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3c(F)cccc3F)CCOCC2)c1 1640715962 ZBGAEYSLWICJOV-UHFFFAOYSA-N 435.452 1.937 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nccc3c(Br)cccc23)CC1 1643372216 BFPQCQZAOAFUMY-UHFFFAOYSA-N 437.319 1.223 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)c(F)c2)c1=O 1644133983 VMFNUGSCXKXBNW-UHFFFAOYSA-N 436.827 1.655 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3cn(C4CC4)c(=O)nc3O)C2)C1 1644551896 NODKQQGDNVWUOM-WOWRSWPSSA-N 443.504 1.687 30 10 IDEE C#CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])C1CSC1 1645209336 LFWLYQKJMBODFJ-UHFFFAOYSA-N 441.531 1.581 30 10 IDEE CN1C[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1648941695 HERAFLBBMHVCJZ-GOSISDBHSA-N 445.495 1.424 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)nn1 1663991016 WIELDZQVHRIVEP-UHFFFAOYSA-N 446.283 1.930 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 1675274341 XUZZXJBMJJGXHV-UHFFFAOYSA-N 441.557 1.931 30 10 IDEE C#CCN(C(=O)N[C@@H](COC)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1684848888 NSQCXXCGGAQZQK-CVEARBPZSA-N 429.336 1.969 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CCC1 1685173183 KICYAMFLCAJHLV-UHFFFAOYSA-N 434.566 1.425 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1689989345 DQWQYDNTUCWMGZ-CVEARBPZSA-N 435.937 1.505 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689992615 MXXYREHXGOGYNY-LJQANCHMSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1690015372 KGJXMSRMPAQAHY-NRFANRHFSA-N 432.528 1.183 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1690043940 TZHSCQYAFBHECU-UHFFFAOYSA-N 445.527 1.616 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C(C)C)C(C)C)CC1 1690144356 WCXLHKPNBMXPFV-LJQANCHMSA-N 443.596 1.314 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690288246 OLYXSHSXLKIZCK-IKGGRYGDSA-N 425.555 1.192 30 10 IDEE CC(C)(O)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1691350590 HOVWVMOOBBMKHU-GOSISDBHSA-N 447.499 1.930 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN(C)C1CCCCC1 1692759413 FYEUCXRNGZWKES-HZPDHXFCSA-N 425.603 1.891 30 10 IDEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCO1 1693579723 IAUFUBISMOCUAO-PKOBYXMFSA-N 438.532 1.927 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705565857 XDPMSEBNJXDWCP-GOSISDBHSA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705566033 LPAYJKVHNRWKMR-MKXGPGLRSA-N 436.578 1.698 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570067 JZTBXTQPMGLRIM-MRXNPFEDSA-N 437.610 1.656 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(SC)CCOCC2)CC1 1705635251 UZWJCDWWSQIFBX-QFIPXVFZSA-N 449.621 1.598 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCn2cncn2)CC1 1705643194 VTECBZRNLLLJEA-UHFFFAOYSA-N 426.912 1.557 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCCN2CCC[C@@H]2CO)CC1 1705643845 BUBSDEXWRJVPCM-HXUWFJFHSA-N 444.624 1.778 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705761373 KOQPIXAUEGJKTA-INIZCTEOSA-N 430.534 1.907 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1705829312 NEDKGRHQVOVFOX-SFHVURJKSA-N 436.520 1.415 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1705886057 PGSXDRQFACTHCL-IYBDPMFKSA-N 446.556 1.864 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccc(F)cc1 1705893838 ICHLEWIUCBIZQD-UHFFFAOYSA-N 430.484 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(=O)NC 1705938854 LCTZDYRIULPJGM-NVXWUHKLSA-N 441.598 1.370 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC(=O)N1C 1708175996 QGAMEKQABHWJML-SFHVURJKSA-N 437.548 1.596 30 10 IDEE CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1708694144 HNIVHZYBCXKXCU-AQNXPRMDSA-N 432.569 1.648 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1709938284 LRTYJANIYQWICP-RTBURBONSA-N 445.545 1.636 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC[C@H]1C 1712070885 HPXPMULLTSSRLC-VQIMIIECSA-N 447.561 1.739 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1712294856 QLYHYIZKMVOUGL-SDSZKEBNSA-N 430.509 1.312 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(CC)c1 1722293457 NCVZQBRROIMTIK-HNNXBMFYSA-N 426.550 1.961 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1722365905 GGVRQRUGPLRZDQ-NVXWUHKLSA-N 436.484 1.735 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367965 NSDHJLKXTOBYMP-ZWKOTPCHSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCSCC1 1722385705 JYSNFNLUXJXZLN-UHFFFAOYSA-N 425.558 1.987 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2conc2COC)CC1 1722442007 QSMDHPYJJWFQHT-UHFFFAOYSA-N 440.479 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCN2CCOC2=O)CC1 1722445824 XZBPGCWBOYOVMB-UHFFFAOYSA-N 436.516 1.753 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCS(=O)CC1 1722689664 VYESCBYAXZRIIF-AWEZNQCLSA-N 437.953 1.942 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(=O)NCC)C1 1722713074 DAUKXDCDWBLLAY-HNNXBMFYSA-N 444.536 1.949 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[C@@]2(C)C3)n1CCN/C(O)=C1\N=CC=CC1=O 1723627599 RDHLUUWPOVHESW-VSHGVODYSA-N 441.536 1.712 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1727171744 BNHIJFLTXQSKPT-HUUCEWRRSA-N 439.586 1.216 30 10 IDEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1729439198 MGKROYJCTAVHCX-UHFFFAOYSA-N 431.547 1.849 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1740638311 KDXQWVPQGKBZNJ-HKBQPEDESA-N 434.525 1.176 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCOC2)CC1 1740707330 YPNJNCDNFIOBDW-DEOSSOPVSA-N 437.544 1.295 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1740887085 BQWOSALWAHUNLT-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCN(C)C1 1740892948 RJQWTYAGBVXKOV-FQEVSTJZSA-N 433.582 1.235 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1COCCO1 1740930123 NFORJELHWYZTID-INIZCTEOSA-N 432.550 1.832 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1740954226 GPAKTKUYNBXLFX-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1740967007 ZTTUOWQQXLIETH-IEBWSBKVSA-N 432.569 1.558 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)CC1 1740989227 FQBLBWICMBHBTC-UHFFFAOYSA-N 446.499 1.569 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 1747656008 FHUVYVFDJVBETG-IRXDYDNUSA-N 431.518 1.389 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCc1ccccn1 1748293331 HEIYRDFOVBXYGY-UHFFFAOYSA-N 439.545 1.830 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748812553 WEMRSIDQBVLQKJ-QZTJIDSGSA-N 430.578 1.774 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1748824415 AKIXSOXAPQTHCA-QGZVFWFLSA-N 433.512 1.967 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1748892419 OPKWEFHCCCPNBD-FQEVSTJZSA-N 438.553 1.764 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749658012 KMDNUPNDYGIUAV-MRXNPFEDSA-N 442.911 1.398 30 10 IDEE COCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1749674337 UHWBRQNGKMMYFM-KRWDZBQOSA-N 440.570 1.168 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCC1 1749730837 SMAQDPFEPWOJQJ-UHFFFAOYSA-N 442.545 1.782 30 10 IDEE CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1750262362 AUDKKOFPNGQMOW-WMLDXEAASA-N 443.570 1.534 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCS(C)(=O)=O 1751092230 YFZAQUKFQPRADA-HNNXBMFYSA-N 449.533 1.516 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1760248866 FJZHRFBORQSGAR-LJQANCHMSA-N 440.548 1.538 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760358563 WPVYZDDSXRPLEY-IAGOWNOFSA-N 427.571 1.283 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760374817 ANNUMKKXFGQGIJ-QGZVFWFLSA-N 443.939 1.742 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1769049890 FILRJPMLAXQRPE-MJGOQNOKSA-N 444.561 1.713 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1769224264 HHGXQYGUYGMRMV-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCn2nc(C)nc2C1 1772660325 ZPUYYSSFNBHGEJ-UHFFFAOYSA-N 448.940 1.514 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 1851151080 WFHWYRZTQYSUJC-IBGZPJMESA-N 437.452 1.826 30 10 IDEE COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854401201 KWXBWTYAJVNLGL-UHFFFAOYSA-N 425.894 1.799 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(Br)cs3)CC2=O)CC1=O 1856341915 HOGPOVBCIPXRFL-LBPRGKRZSA-N 426.336 1.716 30 10 IDEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1=O 1856374030 JOWDMHGZQOWLAC-ZDUSSCGKSA-N 445.328 1.341 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1 1856412582 TUUSTDVVOSLRLF-MAUKXSAKSA-N 436.509 1.342 30 10 IDEE CCc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)s1 1858334433 HRUZNROYKBQWSD-AWEZNQCLSA-N 425.557 1.924 30 10 IDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCCCC2)cc1=O 1870561495 POOUQANCIDTWIZ-UHFFFAOYSA-N 429.542 1.736 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 1880104821 OEHFOOXPITUABR-GJZGRUSLSA-N 448.329 1.787 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)CC1 1889621391 YRPRKSDQEWLYOP-UHFFFAOYSA-N 437.581 1.777 30 10 IDEE C=CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O)C(=O)OC(C)(C)C 1984806236 MASNYWHYCQPHCQ-CQSZACIVSA-N 427.498 1.942 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2010027042 BHSYZCRHDIHIMJ-LHSJRXKWSA-N 439.509 1.874 30 10 IDEE CN(C[C@@]1(O)CCCN(C(=O)C#CCNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2244372933 HSHVTFRSXAGHGP-NRFANRHFSA-N 425.526 1.735 30 10 IDEE Cn1cc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2255624440 YKRSBWGFXDONJA-STQMWFEESA-N 432.330 1.314 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1CNC(=O)OC(C)(C)C 2255627141 OIYNJIGMAHWDBJ-KGLIPLIRSA-N 434.346 1.942 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)nc2)OC1(C)C 2255644146 GEYFKTAJXAHAEK-QGZVFWFLSA-N 428.220 1.059 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255652536 WDFGMCMIYUOMSI-HNNXBMFYSA-N 432.330 1.905 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255815017 HIMQSVYXZOEOOK-CQSZACIVSA-N 434.346 1.849 30 10 IDEE Cc1c(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255816451 FLCFXPGBYHSXRZ-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255831812 CFKATWMSJZGNCN-STQMWFEESA-N 432.330 1.314 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)n1 2255838410 FXBJPGBHJJDNAX-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255843587 IVUIMCNAUJEUOL-GASCZTMLSA-N 430.314 1.610 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255883072 ZZUZXHCDUGUZQH-KBPBESRZSA-N 432.330 1.904 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063465 VWMYCABSVOZFGX-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267188752 QHWJOATYDSBMDN-DGCLKSJQSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267270992 OUGPYNMPUVBMIX-HUUCEWRRSA-N 444.341 1.619 30 10 IDEE Cc1cnc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267572158 ROQWKMFTPPFQOX-JOCHJYFZSA-N 449.357 1.695 30 10 IDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCCC1 2286046530 CMGFWWGWCMZSJC-RTBURBONSA-N 436.530 1.956 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2315532909 KJDDUFWEMBAKLW-ZIAGYGMSSA-N 432.330 1.553 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)cc1 2330749884 XWKZUVHYKFRLJU-UHFFFAOYSA-N 428.474 1.504 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)n1C 2337398309 OAEQMKITNVVCMB-ZIAGYGMSSA-N 446.357 1.623 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(=NO)C[C@@H](C2)C1 2365579875 MSCBGZZMQPBAEK-JZKQVHKSSA-N 437.493 1.903 30 10 IDEE N#CC1(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1 11242486 ZJGWMZXLCGDVFT-UHFFFAOYSA-N 433.530 1.973 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1c(F)cccc1Cl 72443770 WPFARNSLLXALJI-GWCFXTLKSA-N 444.854 1.488 30 10 IDEE COc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444403 XBQDAWOHAFQSHO-HZPDHXFCSA-N 437.456 1.346 30 10 IDEE CC(=O)N1CCC(NC(=O)CO/N=C(\N)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 110197175 RWXSERLXZFIMAI-INIZCTEOSA-N 427.546 1.342 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 426819675 YYYDGASJPDQYSF-SFHVURJKSA-N 448.545 1.302 30 10 IDEE CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460770643 QIOAZIFLEPYFHE-UHFFFAOYSA-N 432.487 1.190 30 10 IDEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)N1CCN(C(=O)c2cccs2)CC1 460949363 MVAOSJKZFVOVTR-UHFFFAOYSA-N 449.330 1.837 30 10 IDEE Cn1ccnc(N2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)c1=O 467176653 PQHPYJLOYWSWBG-UHFFFAOYSA-N 433.434 1.089 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478741518 CEXYRQHAIISMAQ-RTBURBONSA-N 438.549 1.896 30 10 IDEE Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 478834370 DNEAHSLTULGLCG-ZDUSSCGKSA-N 426.523 1.193 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(COC)(C(=O)OCC)CC2)cc1 485047010 BYHNIBMACMHPJC-UHFFFAOYSA-N 446.504 1.751 30 10 IDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489428683 AWCPIQGMRCUYSW-KRWDZBQOSA-N 428.514 1.871 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(I)cc2)CC1 492289606 FRAXDBACYXCEPV-UHFFFAOYSA-N 443.285 1.116 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 503160266 HBYNSKDBBDEBOQ-INIZCTEOSA-N 426.477 1.007 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(C)C)cc2)c(=O)n1C[C@H]1CCCO1 517353599 RGOYETMMVAIRMQ-GOSISDBHSA-N 441.553 1.373 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccn2)c1=O 522283535 XBJIUXLCJPYDJL-UHFFFAOYSA-N 435.505 1.736 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCN1CCOCC1 523257798 LGHVLXIFRGDIHW-HNNXBMFYSA-N 445.610 1.730 30 10 IDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)n1 523463021 XOWYZHBAODYGRB-AWEZNQCLSA-N 428.518 1.913 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544639866 PCHSTMZPIZOHMJ-UHFFFAOYSA-N 426.498 1.708 30 10 IDEE CN(C)CC1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 569756156 YECIZWMDDHXJKQ-AFMYVXGZSA-N 425.533 1.406 30 10 IDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCc3ccc(C#N)cc3F)c2)CC1 609252621 RILTYQWMMSORGJ-UHFFFAOYSA-N 431.493 1.955 30 10 IDEE CC1(C)OB(c2ccc(Br)cc2S(=O)(=O)N2CCNCC2)OC1(C)C 725398015 DMVHCJNJPUFYMO-UHFFFAOYSA-N 431.161 1.342 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2cocn2)C1=O 735224705 UZYWCRYOVIEJHJ-QGZVFWFLSA-N 445.501 1.603 30 10 IDEE NC(=NOCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(CN2CCOCC2)cc1 774821020 SKMFSDIPLLTZHJ-KRWDZBQOSA-N 428.455 1.957 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC3(C#N)CCOCC3)cc2)CC1 780548346 UZJQRMUBHGZTKG-UHFFFAOYSA-N 435.502 1.017 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@@H]2CCCO2)c1=O 781648841 LDURGGOQIODTHN-KRWDZBQOSA-N 440.569 1.702 30 10 IDEE Cc1nc(=NC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 782487024 ADKXSAIEVFJUIC-UHFFFAOYSA-N 426.477 1.834 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)C1=O 787746596 ARJFYZCXADHIIH-SPLOXXLWSA-N 442.472 1.265 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1 788569567 VMCDBNFNYOFQED-UHFFFAOYSA-N 425.489 1.669 30 10 IDEE COc1nc(Br)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 789695567 DWBGOPGGKVLFRU-UHFFFAOYSA-N 425.264 1.530 30 10 IDEE C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 790683468 CZZUVGRKAGCEIX-HXUWFJFHSA-N 436.386 1.329 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CC(N2CCC(C(F)(F)F)CC2)C1 792555992 QLQHPTNZBNYQEH-UHFFFAOYSA-N 444.479 1.647 30 10 IDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)n1cnc(C#N)n1 798401805 HDIKSQRFENLBOK-OWBBVQPASA-N 429.506 1.942 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 799087063 IIQFGVNVYFPQDJ-OXJNMPFZSA-N 425.510 1.518 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 809896146 FPHFWSVOLCWPGI-LSDHHAIUSA-N 441.554 1.396 30 10 IDEE CCO[C@@H]1C[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cnn(CC)c2)[C@@H]1n1cccn1 814709301 YFZYFAJBFJFCHE-DFGXFYAUSA-N 445.549 1.586 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837508664 QZSYBLAKGCTGNJ-UHFFFAOYSA-N 448.552 1.462 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 917699555 KJXKRYDCUOQYJC-SFHVURJKSA-N 435.509 1.942 30 10 IDEE COCCCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCS(=O)(=O)C1 1124632189 SBEVDMHOVWOTDE-ZDUSSCGKSA-N 445.335 1.752 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1154387025 OVMRKAMIKHGJKY-QVKFZJNVSA-N 432.525 1.009 30 10 IDEE O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCCN(O)C1=O 1159642542 YGZTWKZRGAIRQZ-SNVBAGLBSA-N 429.804 1.134 30 10 IDEE COC(OC)C(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1166114793 GRMDXXXXTDAXDB-HNNXBMFYSA-N 426.514 1.253 30 10 IDEE N#CC1(C[C@@H](O)CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCOCC1 1169012732 ABZCWBQBUYJEGK-PKTZIBPZSA-N 440.588 1.867 30 10 IDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1178460205 DWQGVVDQIZCKHH-QGZVFWFLSA-N 429.502 1.852 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 1208549848 KSKXRHKNCOBTNM-UHFFFAOYSA-N 435.278 1.773 30 10 IDEE C=CCN(CC(=O)OCC)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1208651129 ONLUIXKBOCYCBY-SFHVURJKSA-N 440.518 1.405 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)C2=O)cc1 1227632083 LDWRZOYVPQCPLJ-OALUTQOASA-N 430.530 1.268 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c(C)s1 1251295219 BDNVYFXLBDMBKW-UHFFFAOYSA-N 425.561 1.909 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286397473 ZQAICCCMULKSMK-RTBURBONSA-N 437.610 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCOCC2)c1 1286415074 HJNNUMGVUUXZRS-UHFFFAOYSA-N 446.555 1.354 30 10 IDEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286672537 OBSOGVAZHPBSQJ-UHFFFAOYSA-N 444.584 1.546 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1286727309 PDDFJVRGLBEMIV-LJQANCHMSA-N 442.545 1.830 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286774865 MRHVHAVIPQWJKD-INIZCTEOSA-N 429.546 1.390 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286786141 YIEMLFFEQOVWSX-UHFFFAOYSA-N 449.490 1.630 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)OC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1288060253 LZCPENSQQCDNCX-VLGSPTGOSA-N 431.497 1.253 30 10 IDEE Cc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1289642747 CXPDBPMUYUGCPW-LZICOFPGSA-N 426.477 1.846 30 10 IDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290864477 VQTUXZHUBDQGTG-MRCUWXFGSA-N 432.488 1.311 30 10 IDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCNS(C)(=O)=O 1293097546 NQHNWTPANKYIEC-UHFFFAOYSA-N 435.529 1.117 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 1297218003 OTAOIEYDVJWEAI-HNNXBMFYSA-N 433.509 1.994 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCOCC2)c1 1299951388 HIVAUNKQCGSGCO-JXFKEZNVSA-N 442.520 1.412 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1300337095 SPZKEXMFKDLLNQ-UHFFFAOYSA-N 440.552 1.735 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300487047 DXXQIXPUFUBTCD-LJQANCHMSA-N 438.557 1.856 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300489103 ISMFJRFVMIGNEQ-RXVVDRJESA-N 430.530 1.377 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300495963 LVNXWJCROQCIRR-CEXWTWQISA-N 436.578 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300522333 CBZMYBNUOMEWCK-SFHVURJKSA-N 448.552 1.848 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC(OC)CC1 1300590384 APOQNBWXDLQZRM-UHFFFAOYSA-N 440.592 1.753 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NCc2ccccc2)CC1 1300692435 FDXFNRFWJCCTCZ-UHFFFAOYSA-N 429.528 1.802 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300754017 FPOAPYTUKORHEH-INIZCTEOSA-N 434.591 1.472 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300892627 UTSJNTMKCOFVTJ-URVUXULASA-N 440.548 1.586 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1300989809 GRYBUACXBZBWHE-RTBURBONSA-N 437.610 1.838 30 10 IDEE C=CCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1301233989 AZWBQNTXEBMJDV-UHFFFAOYSA-N 437.570 1.334 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1301273778 XKBBQKIXGITCLI-KBPBESRZSA-N 430.575 1.766 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1303042729 LQYVQZABPLRCTC-SJORKVTESA-N 437.562 1.513 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1306545511 SPMHMEPOZOTFSK-LTMIRXACSA-N 438.532 1.995 30 10 IDEE CCCN(C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1306783059 MMWQOZLJYKDYTN-DLBZAZTESA-N 446.577 1.861 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)N2CCO[C@](C)(C#N)C2)C(F)(F)F)CC1 1312583681 YCWLBDBSHVUYLQ-RDTXWAMCSA-N 449.474 1.794 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H](C(=O)OC)c3cccc(Cl)c3)CC2)C1 1313291341 IWWRYSZNKPHXRG-WOJBJXKFSA-N 432.952 1.979 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1316114079 CEEPERCPAQAZGG-OPAMFIHVSA-N 442.495 1.891 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1316269166 ZPGKJPOFHXMNDV-UHFFFAOYSA-N 428.493 1.060 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316312492 NQXVNWXPUWDCHY-DPPKGPFUSA-N 433.472 1.568 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1316540015 SOEZTCBQURDTND-LJQANCHMSA-N 433.472 1.595 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc2C1=O 1321334442 MGAAGXPMFQQJFW-HSZRJFAPSA-N 432.436 1.453 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1358937571 AISZADLDGJXTJR-AWEZNQCLSA-N 433.538 1.100 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358964853 IMWQFNRXTQNCNE-SFHVURJKSA-N 440.529 1.544 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCCC)CC1 1359043151 IYVJPUMZGFXMKS-UHFFFAOYSA-N 438.532 1.446 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1359172935 OBQRASFQFXLTHW-UHFFFAOYSA-N 446.577 1.797 30 10 IDEE C=CCn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@@]1(OCC)CCOC1 1359290403 ZOAUPRQSWLLGLY-LJQANCHMSA-N 427.571 1.414 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1360473825 AJOHAOBFDSETMM-HNNXBMFYSA-N 439.524 1.672 30 10 IDEE CN1C[C@@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)N(C(=O)OC(C)(C)C)CC1=O 1463091645 CTOKESZUFCLGEX-ROUUACIJSA-N 428.489 1.536 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2C)CC1 1465441110 URGKAPBHMLIODK-UHFFFAOYSA-N 437.591 1.165 30 10 IDEE COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1466413254 AKUYRXUUEYDUPE-NVXWUHKLSA-N 436.306 1.936 30 10 IDEE CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1501881460 LNVWSNVNYKJPHS-ZPHPHTNESA-N 443.533 1.642 30 10 IDEE CCN1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1502327521 PGJPFVSODJSUGG-QBNCKDSPSA-N 429.569 1.924 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H]3CC)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1502700669 QCYMKXHFFBDBFG-QTQXBYQESA-N 444.536 1.835 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1505067158 YJAYKITZDAEACF-ROUUACIJSA-N 437.566 1.567 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1507573309 GJICYVRJJIQKFK-IERDGZPVSA-N 429.546 1.938 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1507616290 IFLGNGIQXGEDBL-HZPDHXFCSA-N 439.582 1.753 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507622945 PBYPNZRDUHAQEZ-KRWDZBQOSA-N 445.520 1.328 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1507637476 KJYXVJCACRCXFY-MHORFTMASA-N 440.566 1.054 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@@H]1C 1507654194 XPBLPBBQFBLLHC-PMACEKPBSA-N 431.606 1.908 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1507679687 PKDJFGDBDSTTQN-KGLIPLIRSA-N 436.504 1.232 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507733005 ZTIHOHIJYURVBQ-IBGZPJMESA-N 444.580 1.794 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCc2cnn(C)n2)CC1 1507737048 YPZQVSOSZMTIJD-UHFFFAOYSA-N 435.536 1.011 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2oc(CC)nc2C)CC1 1507738618 SPXQUZOLCFHUGS-INIZCTEOSA-N 439.520 1.102 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1507808283 YAWUETHKCSYXKD-DENIHFKCSA-N 440.548 1.540 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1507956939 ISSHGKAGESFBAW-UHFFFAOYSA-N 442.568 1.742 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)N(C)C)C1 1508116105 IAJBSURCOJQEII-INIZCTEOSA-N 445.520 1.840 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1515285064 ADMJCMRPDNUCOD-UHFFFAOYSA-N 430.534 1.308 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCOCCS(C)(=O)=O 1517125961 VJGKHEPCGQPHDR-LJQANCHMSA-N 447.561 1.741 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(COc2ccccc2C#N)o1 1535263014 ZDXVCHGQIZHLPP-UHFFFAOYSA-N 425.488 1.517 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(OC)c1 1538970604 CVPIZZPWEBJFJW-XHSDSOJGSA-N 435.550 1.822 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1OC 1539001621 GDOANUVXGULNPZ-JZXOWHBKSA-N 446.577 1.748 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C(=O)NC 1539617568 XIJAAFHMGDTQQP-BQFCYCMXSA-N 441.536 1.725 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1539759504 UFQZJLOOHMRTNM-UHFFFAOYSA-N 431.518 1.556 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1=O 1540471429 YZEYYNGWTTWNHI-WOJBJXKFSA-N 440.544 1.976 30 10 IDEE N#Cc1ccc(Cn2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)cn2)cc1 1545011325 ZQOYWYPBOLCDJN-UHFFFAOYSA-N 441.469 1.669 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1547495111 DIQMOOXFTKQYHS-GOSISDBHSA-N 439.564 1.842 30 10 IDEE CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1554268289 BQWPTWBKFXUMIB-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE C=CCCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)OC 1558383441 UNRJWSAVJLTZAX-HNNXBMFYSA-N 430.548 1.326 30 10 IDEE COc1ccc(-c2n[nH]c(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)n2)cc1 1565667102 RIKOHTDPLCGCAS-UHFFFAOYSA-N 429.433 1.847 30 10 IDEE C#CC[C@@]1(C(=O)NCCNc2cc(C)nc3ncnn23)CCCN1C(=O)OC(C)(C)C 1566179778 PSTNKGSMAGUGAI-NRFANRHFSA-N 427.509 1.754 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588045907 TUFUZOVDGOKJPB-SQNIBIBYSA-N 429.546 1.518 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588696119 LANMQDADPYAJEY-CVEARBPZSA-N 431.459 1.479 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(C)(C)O)CC1 1588954646 KEZWDQJVPPQITF-UHFFFAOYSA-N 449.559 1.643 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1588976410 XEMOGWULGIRQCV-ZWKOTPCHSA-N 435.594 1.947 30 10 IDEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1589371960 SXRIFKJDSDHONP-CVEARBPZSA-N 426.539 1.441 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1595798822 UHNROZNBOCQSHX-QGZVFWFLSA-N 447.561 1.415 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1610081606 YMLDBBOCEFFWRK-SFHVURJKSA-N 438.536 1.290 30 10 IDEE CCN(CC#N)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1615354259 JWAGNOPBUJRPLM-MHWRWJLKSA-N 432.527 1.578 30 10 IDEE CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1617192897 ZNOVVOUFLBOGPD-GOSISDBHSA-N 448.549 1.156 30 10 IDEE COC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1618875040 BAVPJRHYUCPLSY-CQSZACIVSA-N 433.490 1.083 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N(C)C 1620018613 GHVDVMNXSCLJFL-QZTJIDSGSA-N 442.568 1.545 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OC)c1OC 1620111311 QQHVRDYBYUYHBP-QKLQHJQFSA-N 443.504 1.796 30 10 IDEE CC(=O)N[C@](C)(C(=O)N[C@H]1Cc2ccc(C#N)cc2C1)c1ccc(S(C)(=O)=O)cc1 1624816653 JLNFIDXVINKFKO-UGKGYDQZSA-N 425.510 1.597 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N[C@@H]3CCCN(O)C3=O)c2C(F)F)C1 1625082988 ZCXBAOJQJHFTFL-WDEREUQCSA-N 444.439 1.508 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1C(=O)OC 1627731069 HYYJQABXRVHFHQ-VXGBXAGGSA-N 425.235 1.120 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O 1628816415 FQVOIGVZSKMHRS-UHFFFAOYSA-N 425.272 1.619 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1628907844 XTANFJRQQROLLR-CZUORRHYSA-N 437.566 1.836 30 10 IDEE O=C(C[C@H]1C(=O)Nc2c(Br)cccc21)NCCN/C(O)=C1/N=CC=CC1=O 1632879896 ACUVTINSJSAZSQ-RKQLKTQESA-N 433.262 1.518 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 1637459793 DYXKNTZLWIEFBW-MRXNPFEDSA-N 436.306 1.795 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(S(C)(=O)=O)s2)s1 1638530216 DWMORWIQXFTKMO-UHFFFAOYSA-N 434.586 1.536 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1639840080 ISHMZMKBZHSEMW-DOTOQJQBSA-N 430.364 1.933 30 10 IDEE C[C@H](CC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1644437563 HYOUVGUAHIOTLL-KCJUWKMLSA-N 429.367 1.178 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2cnc(C(F)(F)F)c2C1 1644597659 DBYNIEGPPBUYIA-UHFFFAOYSA-N 441.435 1.763 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC(Nc2ccccc2C#N)CC1 1647900752 HBWSPBSEZPYQFO-UHFFFAOYSA-N 425.455 1.914 30 10 IDEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1648791045 DKOWXAUHOSKFED-AWEZNQCLSA-N 433.324 1.742 30 10 IDEE C#CCN(C(=O)Nc1ccc(I)cc1OC)[C@H]1CCS(=O)(=O)C1 1670336887 KQXAGBGOBITOIO-LBPRGKRZSA-N 448.282 1.954 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)c(F)cc2OC)CC1 1671056922 YKYZYXVEJAUXMA-UHFFFAOYSA-N 449.302 1.214 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1675451817 YVAJZEAKQQUENA-MRXNPFEDSA-N 432.477 1.532 30 10 IDEE C[C@@]1(C[C@H]2CCCN2C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)NC(=O)NC1=O 1682384368 CNVOYKZMBTWPQZ-XXBNENTESA-N 438.532 1.685 30 10 IDEE Cn1ccn2c(CNC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)nnc2c1=O 1687432603 TXCSHZCGYOHJOZ-UHFFFAOYSA-N 425.424 1.192 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689989445 FPAVPEZQVVVGHH-KKSFZXQISA-N 434.562 1.994 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1690034700 PHPJMXDLHJZAJS-QHCPKHFHSA-N 439.516 1.691 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1690045771 QCIOWAONRVTMGG-NRFANRHFSA-N 446.555 1.885 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1690098395 GSQIZJYURZOGPP-UHFFFAOYSA-N 441.488 1.042 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@](C)(O)CCOC)CC1 1690120301 PLGDIFJUTPHLNQ-DEOSSOPVSA-N 449.559 1.674 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1690319383 LDWXAVMSKVMALS-UHFFFAOYSA-N 430.557 1.584 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCCO2 1690609288 JUTFMXLRVRDQHO-UHFFFAOYSA-N 427.505 1.972 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1690678828 BONJCOXCOXDLRR-FQEVSTJZSA-N 434.500 1.904 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1 1690680946 APBJIIXUTMRWMA-GOSISDBHSA-N 438.532 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCO2 1690723424 RCUZGCKRIKCCAZ-OAHLLOKOSA-N 447.517 1.195 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690738759 XSTFQGBQEMBKAS-LJQANCHMSA-N 443.621 1.946 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1691001244 FSEPZZJKPBEVNV-OXQOHEQNSA-N 428.566 1.539 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(OC[C@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1692521326 LPRPVXDQKHIQGG-INIZCTEOSA-N 442.520 1.951 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1696756357 FXBFFZOMEQNSMO-QGZVFWFLSA-N 434.504 1.833 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1698314823 VMAJOUJEPHVXAK-UHFFFAOYSA-N 441.517 1.295 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCC(=O)N3)n1CCCOCC(F)F)C2 1698486250 VURUFDIEEBRIKQ-HNNXBMFYSA-N 447.446 1.436 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705528294 BHYIPDYPNCGLRQ-UHFFFAOYSA-N 435.532 1.115 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705532458 NVMCURVTUZPHFJ-FQEVSTJZSA-N 428.581 1.720 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705569715 JJYTVQSDHWSEMM-ZDUSSCGKSA-N 433.481 1.823 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705640007 BBUHOCACNDTUJP-LJQANCHMSA-N 445.564 1.588 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC 1705700462 UCDUZMACXXARCT-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@@H](C)CC)C1CC1 1705855059 UVYJPJIZTVHXCI-KNBMTAEXSA-N 441.598 1.563 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1705917885 YWECVHSIBLFYNY-FDDCHVKYSA-N 443.548 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCC2(CCOCC2)C1 1705931973 GZKLYAJPGCPSIK-UHFFFAOYSA-N 434.566 1.676 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1706746546 BREPIHGRMYFZHK-CRAIPNDOSA-N 440.504 1.811 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1707826725 SIVLLAZJDJBZRS-ZCXUNETKSA-N 446.462 1.512 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)C1 1710346890 NDRRGZUXYXSCFL-OALUTQOASA-N 442.545 1.680 30 10 IDEE Cn1nccc1CN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)C1CC1 1711288181 ZQVAZBXLDNUZAL-UHFFFAOYSA-N 440.533 1.268 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(O)CCOCC1 1712563546 ZCYLFOWPIJYCFB-PKOBYXMFSA-N 448.568 1.110 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1722298737 IERWMCWOMGDPDY-QGZVFWFLSA-N 432.546 1.563 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1722365188 LRPQNGUKQYVYOQ-SFHVURJKSA-N 443.504 1.979 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1722382986 LSKSNMFKWLAGDV-GOSISDBHSA-N 442.541 1.709 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1722402388 VFXVZWDEMCVUAJ-LJQANCHMSA-N 427.530 1.571 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCC(=O)NC)CC1 1722433474 WNVVQDUDVDSNBL-UHFFFAOYSA-N 431.338 1.599 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722435958 XXFQZZVQJDWXIA-QGZVFWFLSA-N 431.537 1.664 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722619620 BSAIECSCJQXFDS-SFHVURJKSA-N 429.525 1.418 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1722630509 HMGDYGRGWGCFOL-UHFFFAOYSA-N 426.569 1.821 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722742904 KJYBHYUQJLRZOJ-INIZCTEOSA-N 433.582 1.360 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)C1 1723009036 QWONTRNIRCIANV-IXDOHACOSA-N 434.541 1.940 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O)N1CCOCC1 1723817153 BSXMFPRFZSAJSZ-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728005247 BECCYKIRFVOFEW-MRXNPFEDSA-N 446.581 1.672 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1729352329 SYHLXQQEIOMULI-OAHLLOKOSA-N 425.461 1.722 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1730302340 WUDGVTINJPNFKD-OALUTQOASA-N 427.505 1.802 30 10 IDEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1730702020 OVQADNUZPVUVAM-KRWDZBQOSA-N 427.484 1.603 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1730837996 AZPYIMBXUSTAQE-KBXCAEBGSA-N 431.534 1.657 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1740573716 GYOHVHZDMRKDHJ-MRXNPFEDSA-N 441.623 1.746 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1740610284 VYSSZYZFSMAUJV-HZPDHXFCSA-N 439.582 1.799 30 10 IDEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740658131 HCBHWUHOFMFSEO-HSZRJFAPSA-N 440.569 1.466 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740757099 MZUHWMYAOOHPSA-BQFCYCMXSA-N 434.566 1.772 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1740851082 PVZRKYMXVMRNIO-MRXNPFEDSA-N 439.582 1.078 30 10 IDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1740946692 BEBVSEYLAXFHDG-IRXDYDNUSA-N 427.571 1.235 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)CC(C)(C)C1 1740991881 HLLCKWLIHSSZOA-JKSUJKDBSA-N 444.623 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1740994975 XDWFTFVCEULKCW-INIZCTEOSA-N 439.582 1.253 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C[C@H]1C 1743295482 JQCMQOIMEYXWDZ-CKEIUWERSA-N 434.522 1.216 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1745796987 DMLKCLDJHYVUEK-LJQANCHMSA-N 437.548 1.897 30 10 IDEE CNC(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1748271495 LGADLVULWAANFL-UHFFFAOYSA-N 430.516 1.983 30 10 IDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CC1(O)CCS(=O)(=O)CC1 1748780835 MOFYSTLGYHAJNT-UHFFFAOYSA-N 425.514 1.502 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1748946745 QESNJCNKSDVGBX-UHFFFAOYSA-N 446.548 1.949 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1 1748962869 SQSNJZTZAWTKIQ-SFHVURJKSA-N 432.546 1.732 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1748965399 SDKUFIZQNDVGNM-RAUXBKROSA-N 425.533 1.370 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1748984809 RVBPOXWLZMBWDH-UHFFFAOYSA-N 432.528 1.764 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749034209 XRWZPZSKHRCKFK-KRWDZBQOSA-N 430.578 1.434 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749097533 CJNYSWNAEADYME-JSGCOSHPSA-N 437.342 1.633 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749275413 AURTWLHJEMLEBI-JKSUJKDBSA-N 438.960 1.521 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)C[C@@H]1O 1750339189 JHCPHCATJVZQPI-APWZRJJASA-N 440.504 1.778 30 10 IDEE Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1751585728 ICIFKHDVQALRRG-SFHVURJKSA-N 438.554 1.870 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@]2(CCO[C@@H]2C)O1 1752321862 UGZWVTOCEFEXRR-PNCHPQGNSA-N 441.532 1.988 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760146954 BMHJIZWHHHDALI-GOSISDBHSA-N 441.557 1.963 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760225055 GIFBWPQCMTVHOA-MGPUTAFESA-N 436.509 1.566 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CC1 1760240521 UHLPTPBVXVBOCZ-UHFFFAOYSA-N 447.536 1.772 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC2CCOCC2)CC1 1760261783 WOUNAEBUTKHCAP-UHFFFAOYSA-N 441.580 1.481 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1CC1(O)CCS(=O)(=O)CC1 1760482292 FMYBSKDMEYATAD-UHFFFAOYSA-N 434.562 1.947 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)C1 1760534787 GHAPKKRUCKXRQS-RDJZCZTQSA-N 445.549 1.366 30 10 IDEE CC(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1760682344 UBMYCLIUTWWZSF-UHFFFAOYSA-N 444.543 1.988 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(C)(=O)=O 1763745108 IDVZOFPOLWVAAS-INIZCTEOSA-N 431.566 1.820 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](Cc2ccccc2)OC)CCOC1 1765921365 DJBBRUVIIYSBMK-SXWKCWPCSA-N 441.532 1.917 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1768163308 IDLJKZGIITVRNE-KRWDZBQOSA-N 425.493 1.321 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1770315521 GDJAUHAOYLGGOW-INIZCTEOSA-N 432.506 1.040 30 10 IDEE COCCOCCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771269426 UFGFSKYIQUJZDQ-OAHLLOKOSA-N 428.493 1.370 30 10 IDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CCOCC2)cc1 1851881170 UBESKPKJOLGCNT-GOSISDBHSA-N 435.452 1.585 30 10 IDEE Cc1nc(=NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)c(C#N)c[nH]1 1852073374 KDWTWTSNZCUCPR-SFTDATJTSA-N 430.512 1.948 30 10 IDEE COc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOCCN(C)C)cc1 1853416738 GPSGTBMAAUYUON-UHFFFAOYSA-N 432.502 1.408 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCC2OCCO2)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1853500416 PCTNHNSHLAFBMS-MRXNPFEDSA-N 449.529 1.771 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 1854500502 YVHGOBDBRZWYAI-IBGZPJMESA-N 433.530 1.123 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1855104176 DLNDKLNFPAEWSB-MJGOQNOKSA-N 429.542 1.912 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CCN1CCC#N 1856186643 KGKGRCVPURVWJV-PBHICJAKSA-N 438.937 1.466 30 10 IDEE COCCN(CCOC)C(=O)[C@@H](C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868783504 SCEFDOVDMZATNR-SJLPKXTDSA-N 436.578 1.651 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1 1889598357 RNSWNIRNQQZFNW-UHFFFAOYSA-N 440.009 1.902 30 10 IDEE N#CC1(C(=O)Nc2c(I)ncnc2I)CC1 1983726472 GOOIQIILNJXPPU-UHFFFAOYSA-N 439.982 1.928 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 1984938037 DCUZYPXYNQABPF-DBWCEAHUSA-N 425.526 1.828 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1(O)CCC1 2131461099 YLUSVUUDLAWKPB-CQSZACIVSA-N 448.329 1.523 30 10 IDEE NCC#Cc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c(F)c1 2145991491 KRECCPZOGZAZIF-UHFFFAOYSA-N 429.473 1.954 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2184059157 IXVUVNABDDAFLX-ZNMIVQPWSA-N 440.294 1.990 30 10 IDEE C#CC(CC)(CC)NC(=O)C[S@@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195298225 LQPHNTCTCDTISW-ZOKDDAQRSA-N 436.530 1.813 30 10 IDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC(=O)NCc2ccccc2)OC1(C)C 2243434807 FRAVBIZBPFDIIP-UHFFFAOYSA-N 436.364 1.642 30 10 IDEE C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248404013 JPEKZIOBVMEOKP-AAEUAGOBSA-N 441.359 1.505 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2255544186 VGVCIDZEJBSWPI-HNNXBMFYSA-N 436.314 1.633 30 10 IDEE Cn1ncc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2255545272 NLWWUXUCKFBRIB-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255656666 DUTDDJKGVPWVPO-ZDUSSCGKSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](O)C1 2255703696 WQOOVYZMLROUST-ZIAGYGMSSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H](O)C1 2255849855 DDLINMXLXNRHSY-AWEZNQCLSA-N 436.314 1.633 30 10 IDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256622149 CTTQCZQLDFJEOA-OAHLLOKOSA-N 434.346 1.774 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2256742442 WEYKYDKXCMNSFK-NRFANRHFSA-N 433.314 1.691 30 10 IDEE CN(Cc1ccccc1)[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267118123 IDZRHAIACDTQHM-GOSISDBHSA-N 439.369 1.755 30 10 IDEE CN(CC[S@](C)=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353761 FRFYPIBKWQKRCC-DEOSSOPVSA-N 427.806 1.700 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267520058 JXOXDLPYUARCKF-LSDHHAIUSA-N 448.373 1.918 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267567955 OBBVDFGGMBJJTN-OAHLLOKOSA-N 447.341 1.510 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267570573 WFBOMBQMCYWJLT-DLBZAZTESA-N 447.341 1.774 30 10 IDEE CC(Cl)=CCn1c(NN=Cc2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C 2296938662 KRVZVPVSLLQPFI-UHFFFAOYSA-N 431.840 1.931 30 10 IDEE Cn1c(NN=Cc2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 2318436464 YIYORJLDVMNSSE-UHFFFAOYSA-N 433.428 1.836 30 10 IDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccn1 2329012437 YASZILDSGMGETJ-HNNXBMFYSA-N 429.550 1.898 30 10 IDEE COc1[nH]c(=N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786424 LLMAVGSZRDMPCO-OAHLLOKOSA-N 449.357 1.859 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3cnn(Cc4nnc5n4CCCC5)c3)CC2)n1 446366890 OSFVZIGFVZBASW-UHFFFAOYSA-N 432.492 1.480 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(C#N)cn1CCOC 481467667 VBNQHIRBVRQURG-MRXNPFEDSA-N 441.492 1.763 30 10 IDEE Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 503662418 HYXAOSFBYJTZHX-UHFFFAOYSA-N 428.514 1.962 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CC1 505672062 JCIXYSXEWWIIPB-UHFFFAOYSA-N 441.451 1.922 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2Cl)CC1 508916048 ZMYPCHGOILTOHI-SFHVURJKSA-N 446.939 1.966 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 509002853 UILXBYAKYXOBPB-GOSISDBHSA-N 430.484 1.452 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 509955643 BBSCGOSOTZBGCU-GFCCVEGCSA-N 430.324 1.811 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)CC2)n1 546219650 ALRHDODCRLUOMX-OAQYLSRUSA-N 448.527 1.894 30 10 IDEE COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)Cn1cnc(C#N)n1 550796578 QFABDDRIBDSSQT-ZDUSSCGKSA-N 431.250 1.294 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 555263086 FPUIURKNMLBTLH-IRXDYDNUSA-N 448.549 1.240 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCO4)CC3)n2C[C@H]2CCCO2)c1 584726510 DFGSAYGQVWPAIJ-WOJBJXKFSA-N 436.516 1.823 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1 588907964 ZYEHHEORPBUALF-UHFFFAOYSA-N 433.452 1.824 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 604000421 YELNSAZIRWVSGY-UHFFFAOYSA-N 432.530 1.922 30 10 IDEE COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)cc1 609526252 ALZMOHLHXITGIW-GOSISDBHSA-N 436.512 1.908 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@H]1CCCO1 611916195 OSTZHXVVMULAFK-GOSISDBHSA-N 446.532 1.419 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCCCN2CCCS2(=O)=O)nnc1-c1ccco1 675776849 AMPJBWDIIYYSFH-UHFFFAOYSA-N 439.563 1.748 30 10 IDEE COc1ccc(CN2C[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)cc1 726729001 KVKRJRBNWQPISK-GOSISDBHSA-N 427.482 1.562 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729669789 BEHCIAVYSCNUHK-VQIMIIECSA-N 447.564 1.941 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C)c2=O)cn1 732561259 JKFOEHPXGMKPHG-UHFFFAOYSA-N 435.553 1.699 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 735852145 HTVFUIRNASIZBQ-QZQOTICOSA-N 427.457 1.496 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OC/C=C(/C)C(=O)OC)nnc12 748158741 XIZZFYNWRONMMB-LCYFTJDESA-N 428.470 1.985 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1CCSC 751824448 CZIWXSQNUJVJNG-UHFFFAOYSA-N 433.603 1.299 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 751923506 NMESNMWYWAZVPU-WBVHZDCISA-N 433.578 1.519 30 10 IDEE CC[C@H](CO)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 754436789 LEJZKSFUSCVXQO-LLWUOSFCSA-N 437.566 1.420 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)NCc1cccc(C#N)c1 755184089 GGVQSIKGIOPPPZ-QGZVFWFLSA-N 444.488 1.233 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(C)n(-c3ccccc3)c2C)c1=O 758076519 OVQVBQSUQWCYPO-UHFFFAOYSA-N 442.544 1.756 30 10 IDEE CCc1oc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 761408050 RJZYWAPYAUTKRD-UHFFFAOYSA-N 445.497 1.712 30 10 IDEE CCCCc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCc2nnnn2C)cc1 771539518 OXIIFNJXRNGIBK-INIZCTEOSA-N 429.550 1.863 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 775372254 YYWMTGMTPIAFQE-QILLFSRXSA-N 441.488 1.746 30 10 IDEE C#CCOc1ccccc1NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 776090296 URLYJRHLCVMHJP-UHFFFAOYSA-N 444.293 1.745 30 10 IDEE CS(=O)(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CC1 778619793 XESZBKQDKMRAPS-GFCCVEGCSA-N 440.497 1.842 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3c3nccs3)CC2)o1 782317707 XBTMGQAJRTXLBE-HNNXBMFYSA-N 430.490 1.172 30 10 IDEE COc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)c1 782650380 BJRMJXGBUAUPSC-UHFFFAOYSA-N 442.298 1.430 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(C(=O)OCC)cc2)cc1 784200311 PWHPNBCUFCUGRN-UHFFFAOYSA-N 429.450 1.815 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)c3ccc(Br)cc32)n1 788370291 QHNVHIGXKSDNPF-UHFFFAOYSA-N 431.290 1.914 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)n1 788677297 SHNMWEVUWAYQAS-UHFFFAOYSA-N 438.532 1.865 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccsc1 790433806 KDNPTUXHJJFUPD-UHFFFAOYSA-N 441.582 1.986 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccnc(C#N)c3)CC2)cc1C 795975593 IGWCXHYSAPUYOX-UHFFFAOYSA-N 442.497 1.260 30 10 IDEE C[C@@H](C(=O)NS(=O)(=O)Cc1ccc(Cl)cc1Br)n1cnc(C#N)n1 798845785 OVYYTQAJQPFSKD-QMMMGPOBSA-N 432.687 1.773 30 10 IDEE CCOCCCn1c(NN=Cc2nccn2S(=O)(=O)N(C)C)nc2ccccc2c1=O 814771759 FBMDFWIDBZAMAN-UHFFFAOYSA-N 447.521 1.120 30 10 IDEE N#Cc1cccc2c1CN(C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C2 1144339212 YVTMFSFERFSCAI-APWZRJJASA-N 431.901 1.878 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@H](CC#N)c3ccccc3)ncnc1-2 1144566864 NSWCFEYKPWQYTC-CYBMUJFWSA-N 428.294 1.725 30 10 IDEE C#CCN1CCN(C(=O)CN2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 1196185685 DEBHJNSDSJEAAD-IRXDYDNUSA-N 446.514 1.789 30 10 IDEE C[S@@](=N)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1197574011 PNOUUKOSXHDMND-MKTHODDLSA-N 448.593 1.565 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1286349312 HQVRUVVPMQIGQY-IBGZPJMESA-N 442.545 1.532 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286388793 BUDOIFLKTOYGDE-GJZGRUSLSA-N 436.488 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)C(=O)NCC)CC1 1286486174 BXLCJZIOEYJDNB-UHFFFAOYSA-N 440.548 1.975 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC)CC1 1286494144 JTXSLOBAPQPNHN-LJQANCHMSA-N 438.532 1.937 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1286792137 MZWGEKKDQKORNP-UHFFFAOYSA-N 432.500 1.649 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)NC(C)(C)C 1286820886 UOIXQNQWMSMMGR-OAHLLOKOSA-N 427.571 1.471 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC2CCCCC2)cs1 1290435545 UBROVDQCSBQADO-KRWDZBQOSA-N 429.550 1.812 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1291279038 HIRPHPLKMMOBFL-MRXNPFEDSA-N 445.545 1.779 30 10 IDEE CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1297122967 UENLVRMVQJUSNI-SFHVURJKSA-N 449.916 1.781 30 10 IDEE CCOCCOC[C@H](O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1297308946 CZEYTRDKWHGXEP-UYAOXDASSA-N 447.532 1.923 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@H]2CCOC2)cn1 1300328296 JJCADXNBOXNCIF-JPLJXNOCSA-N 428.537 1.861 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@H](OC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1300397616 HXIPCXSBFMULGN-UFVMTTLYSA-N 438.488 1.705 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300502733 WHXGLZIDLZWJJJ-IEBWSBKVSA-N 449.621 1.942 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OC 1300569409 JVTURBNSLHHLEQ-UHFFFAOYSA-N 439.483 1.836 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@@H]2CO)CC1 1300703616 MTXHDKZFHIQVJM-JOCHJYFZSA-N 437.592 1.256 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cc(C)nn2C)CC1 1300709967 NCWWRMOLXZIIDB-UHFFFAOYSA-N 435.532 1.711 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCSCC=C)CC1 1300728627 BYHUWZMBYWGOIV-UHFFFAOYSA-N 430.578 1.286 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1300733909 OKBIRIYONQZFJG-UHFFFAOYSA-N 446.621 1.708 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(C)=O)C1 1300892431 SLFZRIQXOHZUSG-LQWHRVPQSA-N 430.553 1.487 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1301578112 SDKXMCOIZHVZGQ-UHFFFAOYSA-N 444.517 1.306 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301588069 UMDYDLKCHFEEEK-UHFFFAOYSA-N 436.538 1.137 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1302707284 OCWJIOLZEJNVFY-OAHLLOKOSA-N 439.497 1.714 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOC2=O)cc1 1358938070 PYLPGAIJEPWNID-UHFFFAOYSA-N 431.456 2.000 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1358946063 GTQQYZHTSFSPSR-HNNXBMFYSA-N 440.529 1.179 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358966663 TWJQBWUMDRBFTQ-LJQANCHMSA-N 430.574 1.851 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1359131762 DNPDDBOWLVBBDP-IBGZPJMESA-N 426.521 1.854 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359140470 CDCQGRIBAJZBQK-UHFFFAOYSA-N 444.923 1.935 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1359179233 PDOVMEWGCGSOMR-IBGZPJMESA-N 438.532 1.448 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1359288656 PMRIRKGIKBBLBI-MRXNPFEDSA-N 429.594 1.953 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCCCO2)C1 1359313097 GNMQOUDLYRPCAS-YESZJQIVSA-N 427.571 1.629 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359375546 RMKMYKVPCCQZDH-XDOYNYLZSA-N 449.515 1.530 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCOCC2)C1 1360788213 NSNLRJJGTXHZLG-JOCHJYFZSA-N 429.569 1.643 30 10 IDEE C=CCn1c(SCC(=O)NC[C@H](O)C(N)=O)nnc1-c1ccc(Cl)cc1Cl 1467711470 OQHLXXQKDDMMAZ-LBPRGKRZSA-N 430.317 1.492 30 10 IDEE COC[C@]1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CN(C(=O)OC(C)(C)C)CCO1 1470621536 BWYSYGSRFSLBIH-QFIPXVFZSA-N 430.505 1.833 30 10 IDEE C=CCNC(=O)CNC(=O)Nc1cc(C(=O)OCC)ccc1I 1476989588 ANEOUBWXEIMMOY-UHFFFAOYSA-N 431.230 1.892 30 10 IDEE CC1(C#N)CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1479290927 GXRYDNMXXLWVOP-OAHLLOKOSA-N 428.555 1.746 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1504392217 UKHPUXYXHVRZKE-GOSISDBHSA-N 436.472 1.808 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507633069 RLFVAHBXEJYNDO-MJGOQNOKSA-N 435.594 1.283 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CSCCS1 1507704084 ONNODVXDMHTGNU-VQIMIIECSA-N 426.608 1.865 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC(=O)N2)n1 1507717197 QSVWXCXQRXORAU-QGZVFWFLSA-N 437.504 1.608 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCSC2)CC1 1507732469 NROKOJOULWKXFW-JOCHJYFZSA-N 443.573 1.489 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507968921 XQNLWVCMBWPOAN-JKSUJKDBSA-N 441.554 1.050 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508152854 SHVFLPYZLRBBID-UONOGXRCSA-N 446.599 1.084 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1513201419 YICUOEDBPZCFJW-KRWDZBQOSA-N 448.531 1.890 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1516765198 LZIALWMNIKIFRQ-IBGZPJMESA-N 426.521 1.927 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC#N)CC1 1516839468 APZXTXZKANEGIR-UHFFFAOYSA-N 448.597 1.599 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1519578640 IQEWDTCJKFJMKM-MAUKXSAKSA-N 448.549 1.798 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCSCCCO)cc1 1521109510 BSGWJKJIXXFHLZ-UHFFFAOYSA-N 430.534 1.171 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1538965225 NKPHZUGAIHLYRI-QGZVFWFLSA-N 431.500 1.742 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1539203004 MMKAJNIKMXJGAG-OXJNMPFZSA-N 439.651 1.640 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539226506 ZLVOSMPOIYDMSU-SFHVURJKSA-N 428.562 1.755 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1snnc1C 1539257660 NGWDDWNRRWYQLQ-UHFFFAOYSA-N 430.497 1.473 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(SC)CCN(C)CC1 1539331680 VXJDEEZDWQLZKT-UHFFFAOYSA-N 428.606 1.691 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1539371094 NPPOYNLGDFAHBD-CVEARBPZSA-N 432.525 1.325 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)C2CC2)CC1 1539469664 TXHWQDLUJSUBAC-XZOQPEGZSA-N 445.564 1.057 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540013040 ITSKEHRVBNBLNY-UHFFFAOYSA-N 440.596 1.850 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCC(=O)N(C)C 1540127430 DHGMIWDIYFTSLY-UHFFFAOYSA-N 435.532 1.943 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1540862032 OWHFBLKGRVWNOA-QHCPKHFHSA-N 438.532 1.223 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1540907255 QACDXMWKQBRQIK-QGZVFWFLSA-N 436.582 1.744 30 10 IDEE CC(=O)NC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1541042150 ANFLSVFYFHNBIN-QFIPXVFZSA-N 442.520 1.937 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1541632276 HKCBWBHAZAQALJ-UHFFFAOYSA-N 441.536 1.553 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](n3cccn3)C(F)(F)F)C2=O)cc1 1542561248 COYVPDWGEOPXRQ-CABCVRRESA-N 434.378 1.880 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(C)COCCO1 1548170839 CUOOIEZSEKZZSV-QFIPXVFZSA-N 444.511 1.957 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCCNS(C)(=O)=O 1554150784 WOFQRQXDWMDHAM-UHFFFAOYSA-N 426.506 1.182 30 10 IDEE CS(=O)(=O)CCCCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555802837 SYOQNORMPUUDHH-UHFFFAOYSA-N 444.561 1.980 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)c1 1568450439 VMPZQSXNQHCSQQ-WHLCRQNOSA-N 433.555 1.646 30 10 IDEE Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1S(=O)(=O)NCC#N 1570722829 FJHUWDKIKSUENO-FQEVSTJZSA-N 436.497 1.703 30 10 IDEE Cc1c(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cnn1CCC#N 1586759913 CGPJNFRNKAOBMB-SFHVURJKSA-N 427.480 1.692 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1587640296 QPYNHWHZBQVFMS-CVEARBPZSA-N 432.525 1.347 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1588053236 BJWZLWQGEMDMPR-OEMYIYORSA-N 436.578 1.756 30 10 IDEE C#CCN(c1nnc(CC)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588058831 DCFWTHMOWHBPIC-MRXNPFEDSA-N 439.582 1.772 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1588133344 DPHOWBXFXYSXCY-KRWDZBQOSA-N 438.536 1.642 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1588574844 UJVAKBGCYBRFNT-UHFFFAOYSA-N 443.508 1.536 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(O)CCC2)CC1 1588892057 WHGYHDMCBARLNU-QHCPKHFHSA-N 445.564 1.201 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1595537028 LUQYEVPXQULKJJ-UHFFFAOYSA-N 427.509 1.543 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1611303621 QHCSWASCTVSYIU-OAHLLOKOSA-N 429.525 1.855 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1611307901 IUXUOGDMDCBVJY-VIPLHTEESA-N 437.566 1.647 30 10 IDEE C[C@@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1612717325 ANQVBTWHWVDHIV-HZPDHXFCSA-N 432.550 1.903 30 10 IDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)OC 1613618844 BSGLWHNQDXQZNW-GOSISDBHSA-N 432.550 1.713 30 10 IDEE C#CCn1cc(CNC(=O)c2ccc(I)cc2-n2cnnn2)cn1 1618800444 IKYZAYYPAVNPHN-UHFFFAOYSA-N 433.213 1.027 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1622746058 OBAFAMOVSSNCKZ-WBVHZDCISA-N 425.507 1.571 30 10 IDEE C=CCC[C@@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1623969564 NVVQFJIJHSWAFH-ZDUSSCGKSA-N 438.440 1.487 30 10 IDEE Cn1cc(C[C@H](CO)NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1630356504 KDUZGTVNSFANAD-UYAOXDASSA-N 439.516 1.846 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccc(C#N)cc3)CS(=O)(=O)[C@H]2C1 1634135935 JXWKFUAHHAEIBZ-KURKYZTESA-N 433.530 1.845 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 1635031105 ZIJYQSIMTYXVFD-UHFFFAOYSA-N 446.305 1.394 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@@H](c3ccc(OC)cc3)C2)s1 1635185091 PPVSLAQRIYGQQY-GOSISDBHSA-N 435.571 1.937 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1640985514 DNUQNFWGWPFKKZ-MRXNPFEDSA-N 439.534 1.722 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](NC(=O)NC)C1 1645203592 FEEYAUGDXFOHON-HOCLYGCPSA-N 435.550 1.204 30 10 IDEE COC(=O)[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(C(F)(F)F)cc1 1646162864 MBXSUNALBHMGGX-XNSRXUQDSA-N 425.363 1.952 30 10 IDEE CS(=O)(=O)N(c1ccc(OCCNc2cc(F)ccc2C#N)cc1)S(C)(=O)=O 1650919683 QGZZFZXWURHNPC-UHFFFAOYSA-N 427.479 1.914 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)Nc3ccc(OCC)cc3)CC2)C1 1684082733 GTEMKSUYUHNZAI-FQEVSTJZSA-N 427.549 1.449 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1689852863 LUAUUUJSKORPPX-IRXDYDNUSA-N 439.582 1.276 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1689900856 SNQPJMSETFMNKN-UHFFFAOYSA-N 436.582 1.064 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1689949610 LHAFUDRJHHQQFR-INIZCTEOSA-N 429.521 1.761 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1690174813 KOXFDUZYZHUROL-GOSISDBHSA-N 447.586 1.672 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690218667 OAZOIEBXOWQQTN-VXGBXAGGSA-N 449.265 1.948 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1690235223 ZPMMPRHALDXJJL-ZWKOTPCHSA-N 440.342 1.698 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690252553 GDEGPBYIKUIIOI-UTKZUKDTSA-N 432.569 1.196 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690331198 SGUOJTOTALJWIX-ZIAGYGMSSA-N 426.905 1.227 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N1CCOCC1 1690518327 FIBXPGFUDFWVMH-QGZVFWFLSA-N 448.593 1.538 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690669679 MAEPZNNDUXLZPA-DGCLKSJQSA-N 440.426 1.943 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1691493297 CZDHYYRXYNCXKH-FBMGVBCBSA-N 431.541 1.310 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695498125 RHXNXUYKOIFACO-CQSZACIVSA-N 443.508 1.015 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1698192624 JJBMXLWZZRCJBV-IBGZPJMESA-N 447.561 1.883 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1698193173 VCQCBJZXRMLYHO-UGKGYDQZSA-N 427.505 1.600 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1705551259 KIMLAESSYQTNDK-SFHVURJKSA-N 449.552 1.797 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cncn1 1705589073 JHHSRKSLBRXEHD-UHFFFAOYSA-N 436.907 1.616 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ncccc2N(C)C)CC1 1705647736 JDKOYNYFQRKRTD-GOSISDBHSA-N 437.548 1.257 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705830062 IQKQNGBYGVRYMU-SJORKVTESA-N 434.566 1.500 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1705848054 KYETXDLWKLQMAD-IYBDPMFKSA-N 434.541 1.530 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)O)C1 1705922315 KPNICWIOIWHPRQ-HNNXBMFYSA-N 434.566 1.790 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC[C@H]1C 1712073235 VGJFCHYZZYECFT-DNVCBOLYSA-N 434.504 1.831 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cnnn1 1722302571 JLXOHMSICRAUCN-CVEARBPZSA-N 429.529 1.885 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722327169 MVBMVYZOZVPCMP-JKSUJKDBSA-N 442.549 1.592 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1722357791 AJMUDNFGKDFVEV-ZWKOTPCHSA-N 449.577 1.168 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCC1 1722373224 FYRRDUOKUUQINZ-QHCPKHFHSA-N 427.549 1.794 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1722378316 NIHTZZKPGUXGEA-LJQANCHMSA-N 448.552 1.990 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccnc1N1CCOCC1 1722382419 CPQNSUGWYUWBBS-UHFFFAOYSA-N 427.512 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnc2n1CCC2 1722419090 NGABVBIYDIGNKD-UHFFFAOYSA-N 448.531 1.819 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1OCC[C@H]1C 1722427959 ADGYXSRUPRIGNO-UYAOXDASSA-N 439.564 1.963 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2OC)CC1 1722430182 ZZFCMUJNXDMGHD-UHFFFAOYSA-N 438.532 1.335 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](CC(C)C)N(C)C)CC1 1722438684 YACVKDMNPCCPFI-SFHVURJKSA-N 441.580 1.737 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)nc2)CC1 1722445645 URFGBZMDZKQPSL-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1722518132 UXWHYRVPRQICGD-ROUUACIJSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722702367 ISADIWCFSKLMJI-NHCDEPBKSA-N 447.580 1.883 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1723589747 ARPNVJIUHSYRCQ-CXAGYDPISA-N 431.438 1.742 30 10 IDEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729150053 GTDKHBIAOSHASG-MAUKXSAKSA-N 448.549 1.374 30 10 IDEE CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1729207676 SYCZMQPFPXQTFO-ZDUSSCGKSA-N 425.461 1.311 30 10 IDEE CCS(=O)(=O)NCCCn1c(C(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729219620 ZXEGKAXQTXPEBD-UHFFFAOYSA-N 446.581 1.324 30 10 IDEE CN(C)[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCSC1 1729325944 ANMPFEGAYHZAEV-AVRDEDQJSA-N 439.589 1.956 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1729484325 UKAGKGKJDBFWFL-KRWDZBQOSA-N 433.534 1.351 30 10 IDEE CNS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1729736548 CXFBZJBQGOBNKC-LJQANCHMSA-N 449.512 1.138 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H](C)O1 1730592815 GMZHMTNJFVHBNN-ZYSHUDEJSA-N 438.532 1.972 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C 1740547521 WRHMMVDVZPXHMU-OAHLLOKOSA-N 431.566 1.565 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1740551372 TYFRFEIMEMUJQF-QFBILLFUSA-N 425.489 1.497 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740622600 ZSGLSJIICOYEIK-HRAATJIYSA-N 443.529 1.411 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1740628968 XOCRPPUAMYOFNR-WOJBJXKFSA-N 449.621 1.878 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CC1 1740677054 DFQGSIMNZBEHIE-VFNWGFHPSA-N 449.552 1.828 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C(=O)NCC)CC1 1740691601 JVXIJAWGYBDNNS-UHFFFAOYSA-N 429.956 1.911 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1740707865 SYYDPJPJZDKBSJ-IBGZPJMESA-N 439.564 1.863 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(Cn2cccn2)CC1 1740990766 YYWBHVZCQVKOIS-UHFFFAOYSA-N 429.550 1.987 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CCN1CCOC 1745336070 BMHMVRLJHBALJA-HXUWFJFHSA-N 449.563 1.931 30 10 IDEE CCSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1747515614 VMQWNJJSRAICTB-LSDHHAIUSA-N 430.600 1.350 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1748830339 UTYYXZQZTGXHJJ-XMMPIXPASA-N 435.528 1.799 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(CC(C)C)CCO1 1749073008 BXSIBALYEPNNOW-WMZHIEFXSA-N 428.581 1.749 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749275411 AURTWLHJEMLEBI-HOTGVXAUSA-N 438.960 1.521 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCOC2)C1 1749655351 IWZMVSLRQHQPFH-OAQYLSRUSA-N 445.545 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](COC(C)C)C1 1749729252 FNBDUWKSKMMKSN-GOSISDBHSA-N 435.550 1.571 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749756090 RSWWJIQPDMWZCD-QGZVFWFLSA-N 443.639 1.857 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1750060043 CYPMMQZXLBTLCT-QRWLVFNGSA-N 430.513 1.068 30 10 IDEE CS(=O)(=O)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750191346 IAGJWJDRNHSVPT-SFHVURJKSA-N 438.513 1.444 30 10 IDEE Cc1noc(C)c1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1751952814 NGLHPYSBCLHGAP-LAUBAEHRSA-N 430.509 1.895 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCN(C)C2)c1 1760126466 ZRIWLUYCLXWOMQ-DEOSSOPVSA-N 448.527 1.969 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1760268943 RZDRPYJVLWAOMH-LMMKCTJWSA-N 442.564 1.400 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1760494357 UYXIKWGVFFJLHB-UWJYYQICSA-N 432.594 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760557042 YHNDFEPHGBIJCT-QGZVFWFLSA-N 449.602 1.732 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CCN(C(=O)OC)CC1 1763112173 DFAANMXBMJOGRZ-UHFFFAOYSA-N 438.536 1.912 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1766723130 NCDYTYNUOLSPAU-IPMKNSEASA-N 444.561 1.475 30 10 IDEE CCN1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1767158279 FGLPHTIPYJVWGR-NRFANRHFSA-N 441.555 1.764 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1768243241 IXFVGQBHXIUNGG-IPMKNSEASA-N 429.546 1.970 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CC1 1769224052 CBEPWIPGSRCBTC-UHFFFAOYSA-N 448.531 1.670 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772790518 DQKVOIMIIAFODA-UHFFFAOYSA-N 446.437 1.084 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCN(C)C 1772843471 MEINAADELLLHHA-UHFFFAOYSA-N 426.569 1.648 30 10 IDEE C=CCN(C(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O)[C@H]1CCN(C)C1=O 1849757141 BLNWCFNJFKPEIP-KRWDZBQOSA-N 426.473 1.173 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2COc3ccccc32)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854627804 VDXUUZCHWOXQGY-RDTXWAMCSA-N 425.466 1.482 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC(C)(C)C4)ccc32)CC1=O 1855952016 QPWDLTWOIGXNHU-HNNXBMFYSA-N 431.514 1.167 30 10 IDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)CC1=O 1856127649 CYWABKBIWICLJY-AWEZNQCLSA-N 441.456 1.977 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](CC)C(=O)O)c(C(=O)OCC)c1C 1860760977 KUMLYGMFRZTSTP-SNVBAGLBSA-N 426.447 1.494 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC 1866801473 YONLJZVQYPIZSB-AWEZNQCLSA-N 445.497 1.883 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cccc(NC(C)=O)c2)cc1OC 1870098714 SMJXNRIIWDNYAA-UHFFFAOYSA-N 442.457 1.915 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN1CCOCC1 1870647640 CJWBPPUIDPJALX-UHFFFAOYSA-N 427.501 1.570 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)c([N+](=O)[O-])c3)C2)CC1 1872942813 HRWUVAXSIJBEMX-HNNXBMFYSA-N 430.461 1.497 30 10 IDEE COc1cc(N2C[C@@H](CNS(=O)(=O)c3cccc(C#N)c3)OC2=O)cc(OC)c1OC 1891576840 GJBMTKLWNIKYIZ-OAHLLOKOSA-N 447.469 1.888 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124533078 NYTJTWHGKRDVFT-GOSISDBHSA-N 448.369 1.920 30 10 IDEE C#CCCN(C1CCOCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2164496415 KIBUOSCTOMRGHE-NRFANRHFSA-N 436.505 1.845 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN(CCCNC(=O)OC(C)(C)C)CC1 2213737210 FBJUFONSQYFONF-UHFFFAOYSA-N 426.377 1.757 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255842829 XXDBUSHOAUIENO-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2255864337 UZEXNMNIRCMDHR-HSZRJFAPSA-N 425.338 1.681 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1CNC(=O)OC(C)(C)C 2267184593 NLEUNTPTDNJIRJ-CABCVRRESA-N 448.373 1.952 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)n1 2267505487 JFJLUCXALXEWOC-UNEWFSDZSA-N 446.357 1.847 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2271686393 UWZKXZSWNKGFFI-UHFFFAOYSA-N 449.357 1.378 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535069 WPWBPMVTUIYXSJ-KBPBESRZSA-N 434.346 1.847 30 10 IDEE Cn1c(=O)c2c(nc(NN=Cc3ccccc3)n2C[C@H](O)COc2ccccc2)n(C)c1=O 2327749721 XJECPOXGOVEQQF-KRWDZBQOSA-N 448.483 1.320 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)c(OC)c1 20292640 WMQMQMPVYMPQQR-UFFVCSGVSA-N 428.478 1.581 30 10 IDEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCN(c3ncccc3C#N)CC2)n1 97098898 SMQWMZYYULUJPJ-UHFFFAOYSA-N 431.504 1.615 30 10 IDEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)cc1 102744956 QJQRNPDASKSOER-LYHOESIGSA-N 426.473 1.796 30 10 IDEE CC(C)N[C@H](C#N)Cn1cnc(I)c1I 379777276 GAYXUUAFCYRDRX-SSDOTTSWSA-N 430.031 1.982 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 447134753 WIDUYWPORMBNGY-USXIJHARSA-N 428.532 1.072 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cn1 462100068 ZRJAEVUCMJKBQV-QGZVFWFLSA-N 431.456 1.940 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482563583 XBPFYQPQEAPXMJ-CYBMUJFWSA-N 428.539 1.050 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)cc1 488383752 XRTTZYCWJWRUQN-UONOGXRCSA-N 440.522 1.071 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 488630795 WHWCJQMNLCCGCJ-RDJZCZTQSA-N 426.473 1.953 30 10 IDEE CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 507746044 CCXSTWJGNCTOPJ-LJQANCHMSA-N 429.565 1.816 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 508882220 WFOIDTFPIHZXFL-GOSISDBHSA-N 427.505 1.976 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CC(F)(F)F)C(=O)C2)CC1 512792398 KNCCGGSKKTZKTK-AWEZNQCLSA-N 429.468 1.163 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@@H]1CCCO1 514492214 HOQQSMCCXCEHOT-WMZOPIPTSA-N 441.553 1.051 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@](C)(C#N)CSC 515403488 LEWXSPBMRAYVSB-IBGZPJMESA-N 440.591 1.396 30 10 IDEE N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 535090445 ZIGQTISGDKMZFV-UHFFFAOYSA-N 426.498 1.739 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1[C@@H](C)c1ccccc1 541801452 VOZDEOGCMWZSSJ-HNNXBMFYSA-N 448.504 1.985 30 10 IDEE C=CCn1c(Cc2noc(CCc3ccc4c(c3)OCCO4)n2)nnc1N1CCOCC1 547057561 VQMLSWYOMKSRCG-UHFFFAOYSA-N 438.488 1.831 30 10 IDEE Cc1cc(Cl)c2ncc(C#N)c(N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2c1 558754612 DCMXJWLILRJUJP-UHFFFAOYSA-N 435.937 1.767 30 10 IDEE O=C(NC[C@H]1CCCO1)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673749 RDNJQCFJEHPYCN-SDMIKTGESA-N 434.452 1.930 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 588156306 VJBMSUWHXNKTTO-UHFFFAOYSA-N 430.489 1.265 30 10 IDEE COCCN(CCC#N)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 589431490 DWOVHRPYEKIXPE-CJJLBDBPSA-N 433.508 1.854 30 10 IDEE CN(CC(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1ccc(Cl)cc1 619106073 UPYDTBDKHDYDLT-UHFFFAOYSA-N 433.921 1.576 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(F)cccc2Cl)c1=O 623010597 FGORRPSEPUKODC-UHFFFAOYSA-N 447.919 1.663 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(CC)cc1 730137661 GTDLFVUVRAGSQB-CRAIPNDOSA-N 447.605 1.773 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(C)C)c1 730138418 LUVQZRNGRDZRRW-IBGZPJMESA-N 447.605 1.946 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 733200455 FUKPZLDSWIVUKO-DYVFJYSZSA-N 448.570 1.982 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)/C=C\c1ccc(Br)cc1 735082180 OMZNWHAKKUEOBE-ADDYMJOSSA-N 426.292 1.866 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=C3CCOc4cc5c(cc43)OCO5)nc2)CC1 745588572 RHQUIDLQCKVLPA-UHFFFAOYSA-N 445.501 1.345 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CON=CC(=O)Nc2ccc(F)cc2Cl)C1 749789702 AKMNUOJLUUJQNE-OAHLLOKOSA-N 428.892 1.893 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(F)F)C1=O 751923807 BMZKDWSGONTGQU-AWEZNQCLSA-N 428.461 1.680 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O 753751402 APSWNEPQUFHURF-GDBMZVCRSA-N 449.558 1.050 30 10 IDEE C[C@H](OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)Nc1cccc(C#N)c1 755186973 OWBWZQBSIJJEQQ-YOEHRIQHSA-N 444.488 1.944 30 10 IDEE CCc1ccc(S(=O)(=O)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 755971246 CEPHAARMOHMXHJ-SFHVURJKSA-N 440.481 1.831 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)C1=O 763954715 ICAPBDOKFPFAFX-CYBMUJFWSA-N 429.212 1.728 30 10 IDEE N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 765145705 MNTQKBDRBAHGIL-UHFFFAOYSA-N 447.428 1.654 30 10 IDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc(S(C)(=O)=O)cs2)cc1OC 767433121 PZROHNXDUNVXGW-CQSZACIVSA-N 436.511 1.850 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](OCCN2CCCCC2)C1 769277015 QWRYXENMLYRCOO-GOSISDBHSA-N 448.589 1.609 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCCNc2ccc(C#N)cn2)C1=O 771266581 KEIZGAGDFIPTJE-JOCHJYFZSA-N 436.472 1.266 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOC 781654189 SIKPWUNHTVRQMX-ZDUSSCGKSA-N 429.542 1.695 30 10 IDEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 782843809 TZJWZBOSQJYBQM-INIZCTEOSA-N 444.565 1.027 30 10 IDEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc12 783006893 BNKJSBMRLYCRLM-CQSZACIVSA-N 447.498 1.655 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)n1 788695495 QANFLYVTUAWVTI-UHFFFAOYSA-N 442.541 1.579 30 10 IDEE NS(=O)(=O)c1ccc(C=Nn2c(S)nc3ccccc3c2=O)cc1Br 807958679 CRMNPNSCEJUVMB-UHFFFAOYSA-N 439.316 1.977 30 10 IDEE CCN(CC)C(=O)CSc1nnc(NN=Cc2cc(OC)c(OC)c(OC)c2)n1N 1083984778 NXHCVFQQSJJONU-UHFFFAOYSA-N 437.526 1.424 30 10 IDEE CN1CCC[C@H](N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)C1 1146621089 JJILYIISJQNBNL-IBGZPJMESA-N 446.393 1.995 30 10 IDEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C1CCOCC1 1148195552 XFQROQBGYXTKIM-MOPGFXCFSA-N 436.530 1.261 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)CC1 1152967515 KCRHQQFHKJGUHJ-UHFFFAOYSA-N 442.541 1.503 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1)c1cc[nH]n1 1153616289 JSINMQGWPQDVJI-UHFFFAOYSA-N 449.508 1.553 30 10 IDEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156669801 IWSBBBNMHFAWCY-BZIRYSOJSA-N 427.523 1.144 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1159936788 VWZMPKMRUDMLFZ-HOCLYGCPSA-N 431.493 1.459 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)C[C@H]3CCCN3C)nnc12 1183733354 JMBSLZXODXPIJT-OAHLLOKOSA-N 426.546 1.875 30 10 IDEE N#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1196038939 HCGXROGBSZRQDI-MRXNPFEDSA-N 435.506 1.053 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)cc1 1198251316 MZVRFUCNVUMTQU-UHFFFAOYSA-N 449.533 1.832 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OCC 1211884862 ZRMWXGLRILQNAS-NSHDSACASA-N 447.307 1.956 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1286295297 IIMIGQJEUHBLMR-HKUYNNGSSA-N 447.561 1.456 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286388660 TXUUWCZYHVEEGF-NSISKUIASA-N 439.541 1.868 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1286415930 IRFQULGMSAHQJO-SJORKVTESA-N 426.521 1.702 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1286425515 MYVARZZFMHWNIJ-GOSISDBHSA-N 441.557 1.841 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1286431482 WFRBVQVWCWFAKS-OAQYLSRUSA-N 444.539 1.863 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1286454486 YJNVBESCJWSKGB-AWEZNQCLSA-N 434.522 1.574 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286637450 FEVSODROJXEUTJ-HNNXBMFYSA-N 445.611 1.402 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286791940 HYDYRFYQXDPJND-QGZVFWFLSA-N 444.511 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286824753 IDONJYZOUNZXRG-SJLPKXTDSA-N 434.566 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C 1286825218 OCVKPZVZQDUPMS-KRWDZBQOSA-N 437.610 1.919 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1286882226 FINUSVHHUIZUNC-UHFFFAOYSA-N 439.520 1.266 30 10 IDEE CCOc1c(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1289435848 BDNLOVGNPFPDPK-YVEFUNNKSA-N 443.319 1.867 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCCC(=O)N1Cc2ccccc2C1)c1cc[nH]n1 1293550159 GNEJYRIVXFKFSZ-UHFFFAOYSA-N 427.461 1.132 30 10 IDEE C#CC[C@]1(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1298093341 OOGPWRFIRZHNAZ-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE C[C@H](CC(=O)N(C)C[C@]1(O)CCc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 1299804182 MVCQNSWXQTXCSI-IVZQSRNASA-N 427.526 1.796 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)cc1 1299977686 BSKBIRZBMZQPBR-LJQANCHMSA-N 435.546 1.566 30 10 IDEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1300189472 SMFKZUUVPSVUQX-OTWHNJEPSA-N 439.516 1.379 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCC(OC)CC2)CCCC1 1300506392 RYYRCOYVUYRVHZ-UHFFFAOYSA-N 440.592 1.913 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1300509430 LHNBZIZVUUHOLC-PKOBYXMFSA-N 428.562 1.264 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1300602611 SIMYOFWHVGJSBF-INIZCTEOSA-N 432.550 1.006 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300700572 SJKRDTIAPRBIMF-ZWKOTPCHSA-N 432.569 1.793 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2CCC(OC)CC2)CC1 1300719916 VKLISVXGRLRXAA-UHFFFAOYSA-N 437.548 1.906 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCNS(=O)(=O)CC)CC1 1301095998 SCRFPONGVZKAMR-UHFFFAOYSA-N 435.550 1.961 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1301611940 IRTUSWHABVDRPP-KRWDZBQOSA-N 448.618 1.821 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1302510747 JASZKESKOOIZMG-CVOJIUGNSA-N 429.546 1.828 30 10 IDEE N#C[C@@]12CN(C(=O)Cn3c(SC(F)F)nc4ccccc43)C[C@H]1CS(=O)(=O)C2 1304001949 KILRGHWJSULKPQ-GTNSWQLSSA-N 426.470 1.748 30 10 IDEE N#C[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CCN1Cc1ccccc1 1313105823 JNMJXESOQLLCOY-DHIUTWEWSA-N 434.544 1.702 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC[C@H](CC#N)C2)C1 1313274298 FLSITKJOOKTXNC-CVEARBPZSA-N 428.555 1.746 30 10 IDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnccn2)C1=O 1314919583 JCVVZJBNSMGMQX-QFIPXVFZSA-N 432.488 1.633 30 10 IDEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCC(F)F)c2ccccc2c1=O 1314930068 DHWZZQKFAVDISW-FQEVSTJZSA-N 447.421 1.916 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1358939583 ZNJKYCITRMLBGW-MRXNPFEDSA-N 444.561 1.128 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1358949595 IFHPAHXOBNUQJI-IERDGZPVSA-N 437.541 1.443 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358959707 OBNBMGVSFHZNGI-RTBURBONSA-N 427.530 1.868 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358964489 ZXPOAGCCOMHDQM-ZIAGYGMSSA-N 440.476 1.049 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C1CC1 1359023836 YAVGWAIGOONYBT-LJQANCHMSA-N 436.516 1.703 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccnc1N1CCOCC1 1359026353 UZYRDQCLQVESPV-UHFFFAOYSA-N 447.543 1.630 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1359048630 XBYRDFXIDGESNZ-UHFFFAOYSA-N 426.546 1.792 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C 1359215979 NBRJTJUPAKWPPP-JYJNAYRXSA-N 429.612 1.907 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1359300099 UDOAZGLGRVZMPG-HZPDHXFCSA-N 428.493 1.612 30 10 IDEE CC(C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1360107461 QUYINWZCLUSTKC-UHFFFAOYSA-N 434.552 1.612 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1463732720 BZXQDGDUPCYCPA-RISCZKNCSA-N 430.324 1.651 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1464135175 FKNKMGYYRJRULY-CALCHBBNSA-N 426.560 1.888 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccc(F)cc1)c1ncc[nH]1 1470163691 UTRZTSFKAOPUAJ-GOSISDBHSA-N 427.461 1.883 30 10 IDEE C=CCC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1 1471823345 ORGPWJRLQXXSNV-KBPBESRZSA-N 428.938 1.901 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)CC1 1477714150 PCDYRSMWFSRFKO-ZDUSSCGKSA-N 433.361 1.892 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1495738344 OMTKRSBIYNKYDR-YTQUADARSA-N 425.537 1.925 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1502322901 HIEITMQWYCBLQH-INIZCTEOSA-N 431.566 1.286 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCOCC1 1507522696 XPIWUZIBZYMNQJ-IRXDYDNUSA-N 431.562 1.527 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1507531818 DIRAGCVYHZQIPM-HOTGVXAUSA-N 435.532 1.955 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1507536240 BGPJRDCELTZLRJ-QAPCUYQASA-N 425.489 1.531 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507589993 AVHTUCUJDHECSO-QGZVFWFLSA-N 429.525 1.437 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1N1CCOCC1 1507605146 QPAJAMVSXHFMOD-QHCPKHFHSA-N 440.548 1.668 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1507622773 LRSMQBRGWARDKH-MRXNPFEDSA-N 430.578 1.712 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1507623808 XJYCVAJXZACDQA-GOSISDBHSA-N 443.573 1.610 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1507689447 KJRYLEGHVVJMRP-FQEVSTJZSA-N 438.557 1.933 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1507738926 ICZSTLXYEQUVDW-NOVUIFNWSA-N 433.578 1.049 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1507759987 RFPQJYSGTXWDTB-HZPDHXFCSA-N 426.608 1.798 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507840413 MGXZQLTXDSDBQX-LJQANCHMSA-N 449.515 1.882 30 10 IDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(N)=O)C1 1507962867 YOZFNTKUNPMKAV-OAHLLOKOSA-N 447.565 1.143 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1507964964 NTQXQSOSLNRROV-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1508092631 RPZJRZVPXLKDHK-SFHVURJKSA-N 441.532 1.707 30 10 IDEE C=CCNC(=O)Cn1c(N2CCS(=O)(=O)CC2)nnc1C1(c2ccccc2)CCC1 1508097714 KIORDOYFJOMDLO-UHFFFAOYSA-N 429.546 1.285 30 10 IDEE CCN1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515857251 YJQXIYSCSPQTIM-SXLOBPIMSA-N 431.585 1.663 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C#N 1518633744 AGUNFGKFRPEYSH-BZUAXINKSA-N 432.550 1.917 30 10 IDEE Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)c1 1536181021 ZSOXFNASOBZDHI-JLMWRMLUSA-N 429.542 1.552 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1539383754 KDBQRJSXVSBDCV-JTSKRJEESA-N 432.569 1.876 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1539559170 XEHXRQLXPSCZMD-NHCUHLMSSA-N 432.521 1.550 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539627718 LBJIBUSOOLIWBP-NTDBWNAOSA-N 446.552 1.925 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539646059 UJLFAMCZGXADIY-TXTPUJOMSA-N 433.553 1.650 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1540033857 RNMADQSZKWBODY-UHFFFAOYSA-N 431.497 1.060 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1 1540875399 KUYMSAQMPMKNLP-UHFFFAOYSA-N 430.484 1.357 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC(=O)N2)C1 1540897088 ZSMIOWJESMRIOY-VQIMIIECSA-N 427.505 1.926 30 10 IDEE CC/C=C\Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1546794218 UIESKQCZHFVYFT-JXCVUKRWSA-N 441.561 1.740 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1547902655 YZJHQYNNJARLAZ-YADHBBJMSA-N 442.520 1.970 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)CC1 1555812657 GMZLUPVNZWWATQ-QGZVFWFLSA-N 444.561 1.761 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 1561588145 SIIHFQOTAQWJDO-HNNXBMFYSA-N 427.523 1.109 30 10 IDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1565064148 YVZCDZNVUVOWJB-OKYOBFRVSA-N 428.599 1.803 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588049595 IYZWREZICYDDPP-WMZOPIPTSA-N 433.582 1.036 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1588059266 LAPFEUBYBJJTFP-MSOLQXFVSA-N 444.605 1.953 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OCC 1588140269 VDGGSBYZGNCFSA-IBGZPJMESA-N 426.542 1.894 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)N(C)CC)CC1 1588924188 WVKDKCMJYTYOIV-UHFFFAOYSA-N 447.543 1.871 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)CC1 1594733270 PXXJEGHXMISCRO-SFHVURJKSA-N 438.598 1.252 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1594803304 RSYHJDJTDHRPQV-GOSISDBHSA-N 446.577 1.937 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1595804975 JVGGALQJMXHKRR-UHFFFAOYSA-N 432.525 1.779 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccsc2S(N)(=O)=O)c1 1596359517 VJDKIAFTTZLOHN-RGEXLXHISA-N 442.544 1.461 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC2(C1)OCCO2 1611658690 HSUHJIAJJWYPTK-ILXRZTDVSA-N 426.543 1.170 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1613429102 FJLVCSIBLFRDCX-QAPCUYQASA-N 437.504 1.762 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1616222506 BQAKSGXORYFDSL-RBBKRZOGSA-N 446.552 1.342 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](C(=O)Nc4cn[nH]c4)C3)C2)C1 1624618531 CHTUQVPXZGFMJU-JRAJSIKGSA-N 442.520 1.984 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H](CO)NC(=O)OCc3ccccc3)CC2)c(F)c1 1626466305 CBTAHXDLTFTYPY-IBGZPJMESA-N 426.448 1.633 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)ccc1F 1626580401 MVVBCBXBURLBCG-NXHRZFHOSA-N 442.509 1.325 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)[C@H](C#N)C1 1629506411 JXPQJJKCQKOFMA-CQSZACIVSA-N 449.508 1.724 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NOc1cccc(C#N)c1 1635506216 DNOGVXGAIRKGJD-KRWDZBQOSA-N 431.470 1.210 30 10 IDEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3cnccc3C#N)CC2)cs1)C(N)=O 1636777850 LSHBWQNRILZTOY-INIZCTEOSA-N 430.559 1.657 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC 1641567750 NSVIQXRMLZICTR-HZSPNIEDSA-N 432.901 1.976 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CN2CCCC[C@@H]2C)CC1 1666274115 PRTXJZKPWBXAAO-IBGZPJMESA-N 447.605 1.356 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1673630588 GUYBRSWUQUNMRZ-UHFFFAOYSA-N 441.509 1.655 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccc(C(F)(F)F)cc1 1683768000 PKKPZDXTOKWTSX-QAPCUYQASA-N 437.466 1.992 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC(=O)N1CCOCC1 1689864736 HJZDKIRHFQSMCP-KRWDZBQOSA-N 427.505 1.573 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2nncn2CC)c1 1689870249 HRTODQGQTVSXDN-UHFFFAOYSA-N 444.503 1.395 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1689966149 LUGFHMGLORTMJE-IBGZPJMESA-N 431.562 1.540 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1690047797 YYZGPRBFBCQJFX-GOSISDBHSA-N 445.589 1.292 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690124722 SDPTXTZIZDBAMX-SFHVURJKSA-N 435.594 1.632 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NC2CCCCC2)CC1 1690128726 IRJDKVYIWLSVFO-UHFFFAOYSA-N 441.605 1.838 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)CC)CC1 1690132777 XIHKHWRLIFLAKZ-UHFFFAOYSA-N 431.562 1.355 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@H]2COCCO2)CC1 1690148790 VGMPBYFXEGBWIR-FQEVSTJZSA-N 438.532 1.035 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1690175473 XYCBFVYYFOIZPK-HZPDHXFCSA-N 429.612 1.460 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1690260372 IZAMYXDBLYUZQT-NRFANRHFSA-N 448.545 1.668 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690299309 MYPAYUMUQSFBQN-KSZLIROESA-N 439.582 1.583 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690316119 XQPFVTTYRDXXKS-IBGZPJMESA-N 425.537 1.897 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCN(CCC)C(=O)C1 1690677421 WPNSZNWFSDZFGW-UHFFFAOYSA-N 444.511 1.747 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1690681358 NYEJCHJZBRZNRR-MRXNPFEDSA-N 426.521 1.696 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1693564632 ZTADGYGNVOWVML-IAFNSTAXSA-N 429.525 1.060 30 10 IDEE CO[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697661069 VMVCOVNICXZCSQ-NRASPWIFSA-N 430.509 1.661 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705558695 FVCBUMPJCKIVDG-IBGZPJMESA-N 443.573 1.594 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705564137 ALDZZUQUBPKCQY-OTWHNJEPSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705571385 YNZAKARSNOALCR-RTBURBONSA-N 448.520 1.050 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C1CCCC1 1705576404 KRGKNLCJZIYTNB-UHFFFAOYSA-N 429.532 1.868 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnccc1OC 1705593186 JDFWQTHMZMEBTQ-UHFFFAOYSA-N 439.483 1.836 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC[C@@H]1OC 1705623674 ZTHGLDRDMVIPKX-MJGOQNOKSA-N 429.477 1.991 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)CC1 1705641960 ACIJYCNFBQMWGP-UHFFFAOYSA-N 449.563 1.616 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCCSC 1705680950 KCSVWPXQLQQNLK-NSHDSACASA-N 426.406 1.986 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1705763379 UPEUUYSMNHOHAP-FCEWJHQRSA-N 425.555 1.383 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1705786087 FZTDTFSSDAXBOG-OAHLLOKOSA-N 440.614 1.843 30 10 IDEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705800804 KBDIHHOGTIVMNS-OAHLLOKOSA-N 429.912 1.497 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705888677 MGEQGKAJKARTEH-GOSISDBHSA-N 440.504 1.915 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705893021 XESWZKSIHGDRJK-HNNXBMFYSA-N 426.456 1.714 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1705906966 VZBLHOGXXREAGR-UHFFFAOYSA-N 432.912 1.481 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1705948285 NUZJQIWUOCVBAN-UHFFFAOYSA-N 440.577 1.715 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1711014887 IGLZRBPSWTUXLQ-UHFFFAOYSA-N 427.553 1.746 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722335797 GTTJYMHKKLNQFX-CQSZACIVSA-N 426.502 1.631 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)CC1 1722438358 WPFCIFADAKXPBY-UXHICEINSA-N 448.637 1.200 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1722558863 BAVFAGCETUDSFB-UHFFFAOYSA-N 432.550 1.529 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1722629138 GDRKJBCILWLTES-KRWDZBQOSA-N 436.582 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCSC2)C1 1722730281 NGLPVZQUIVXEGA-IBGZPJMESA-N 439.607 1.335 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1722732371 LBBMIOLZYCFUHF-IAGOWNOFSA-N 442.655 1.872 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1729706415 AEAKUHPGFHZNAW-ROUUACIJSA-N 439.564 1.888 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740538027 JQDKOXMJDHQWEO-XXBNENTESA-N 432.613 1.803 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1740610511 DGQYEBYXXMIHAM-CQSZACIVSA-N 433.538 1.864 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1740637658 HKLPGTAVVGEHHB-QZTJIDSGSA-N 449.577 1.414 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740759235 BEHZYZOHYKCCTI-RMJJICAUSA-N 444.580 1.951 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1740849927 AVZHNMJLCSPQRU-UHFFFAOYSA-N 425.537 1.659 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(=O)N(C)C)C1 1740970629 OLRVPQPJCZNUJH-QGZVFWFLSA-N 446.939 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1740989296 ICLYWIGNDFBHMA-UHFFFAOYSA-N 445.545 1.366 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CCO1 1741103605 BXZZWAFRRVAJRJ-FQEVSTJZSA-N 435.463 1.740 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCO[C@@H](C)C2)cs1 1742591109 DACZNFZUBKMWRD-LPHOPBHVSA-N 445.593 1.864 30 10 IDEE CCc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC(=O)N(C)CC 1744688926 HVLOIHYIBXOBNP-UHFFFAOYSA-N 438.492 1.765 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)C1 1746957102 MHSZDBPOMPGPRE-QXAHSBQVSA-N 427.505 1.884 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1748638312 MRJHNTKNYBPNQH-HNNXBMFYSA-N 425.493 1.862 30 10 IDEE COc1ccc(OC)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c1 1748855420 AMOGOKCSLYKZTR-ZIAGYGMSSA-N 436.538 1.692 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1748888428 WKNGFWOMXRIUQF-GOSISDBHSA-N 437.500 1.120 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748953288 JCVVMHIPDZROBZ-LJQANCHMSA-N 445.589 1.875 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccsc2Br)CC1 1748990860 MVXAIWYUMWREAV-AWEZNQCLSA-N 449.378 1.857 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1748991418 WNDBPVAPVPKRPF-ZWKOTPCHSA-N 445.568 1.145 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC(C)C)N(C)C)CC1 1748995035 WUOXAGAXXHKUBN-OAQYLSRUSA-N 426.613 1.871 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749211128 SYGROTLREUBSGW-SFHVURJKSA-N 427.553 1.909 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1749341593 JMKRVGRSSPWXSH-GOSISDBHSA-N 444.561 1.588 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C)C1CC1 1749519645 ONWCFTWCRWODIQ-MSOLQXFVSA-N 438.598 1.106 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1749536631 SCECBJWDHJOCEE-NVXWUHKLSA-N 432.550 1.360 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749720865 XFWJYSXCQRRWHY-IBGZPJMESA-N 444.561 1.858 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1749756202 URTQFHXIBLYNRI-LSDHHAIUSA-N 428.580 1.489 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1749756552 ZHNRIAXNAFSJEZ-LSDHHAIUSA-N 437.595 1.569 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCn1cc([C@H]2CCOC2)cn1 1750942713 AIYIGFZDPOIPSR-SFHVURJKSA-N 440.552 1.947 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1760116434 HEUZTNDJYCKGOQ-JKSUJKDBSA-N 443.639 1.991 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760163486 YTOHEMWLDJJESN-HSZRJFAPSA-N 436.564 1.828 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1760195158 XQXIWQXVLNSPBI-IIBYNOLFSA-N 446.504 1.180 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1760239651 QDAUZBQBQLTYQP-UHFFFAOYSA-N 436.509 1.395 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Br)n1 1760242553 HTNYOMRIHHRJPP-UHFFFAOYSA-N 435.326 1.708 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1760522715 BYHXPABADPNQDE-SFHVURJKSA-N 425.468 1.698 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1764187258 HHNLTOPHYHCBHC-LJQANCHMSA-N 439.520 1.932 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1766739761 MCTMKWNSBGXWLB-UVDDSOTQSA-N 442.589 1.886 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1767663299 NYOAFKUMDCCRLC-AXNLMSORSA-N 441.536 1.425 30 10 IDEE CCOCc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1767752050 HBSMBRPYDPXKLU-OALUTQOASA-N 445.545 1.494 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CC[C@@](F)(C#N)C1 1768287347 PWQFEESJAHABES-HXUWFJFHSA-N 434.541 1.949 30 10 IDEE CN(CC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768609325 KWXVPEGXWWTKAF-FYWRMAATSA-N 441.414 1.039 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCCn2cnnn2)CCO1 1770748320 YIEKFVUTYWFPLS-HNNXBMFYSA-N 444.297 1.513 30 10 IDEE COc1ccccc1OCC#CCNS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)CC2 1849354447 OEAOHKKYMBNAJP-UHFFFAOYSA-N 428.510 1.961 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3OCCc4ccccc43)C(=O)C2)cc1 1854038772 UQJXHJRJACRSDE-HXUWFJFHSA-N 425.466 1.232 30 10 IDEE CC(C)(C)CC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855830638 ZTKBJMUHNMWPHN-QGZVFWFLSA-N 432.546 1.428 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)CC1=O 1856805409 PKBJNZSNHFIGFV-ROUUACIJSA-N 436.530 1.802 30 10 IDEE Cn1c(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc2ccccc21 1857041914 OFMGGDQXTLHXBX-KRWDZBQOSA-N 428.514 1.732 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(C#N)c3)nc2)CC1 1858282116 GAXUQOGTJWTFTB-UHFFFAOYSA-N 427.486 1.816 30 10 IDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 1861294337 HVTNTAMMEXCAOD-KRWDZBQOSA-N 430.892 1.216 30 10 IDEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCNC(C)=O)C2=O)cc1OC 1863160301 MOZZCSJESMLQED-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCCO)cn1CCc1ccc(S(N)(=O)=O)cc1 1870369236 QBGDAJCXJWETLN-UHFFFAOYSA-N 447.557 1.284 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc2c(=O)n(C)c(=O)n(C)c21 1873597360 CRIQMWUIAYFYBP-UHFFFAOYSA-N 436.516 1.229 30 10 IDEE Cn1cccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 1874210069 KQGTZZDZJBDRKG-BRUSPLQXSA-N 437.529 1.592 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 2054376672 KBUHEAVVRINWOO-USZNOCQGSA-N 431.274 1.956 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085657003 OYJWQOWTQBKOAM-UHFFFAOYSA-N 433.314 1.549 30 10 IDEE Cn1cc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609834 KVHPZDBVJSZEBZ-UHFFFAOYSA-N 432.330 1.412 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267263923 LITCZOJFLBTHFR-VXGBXAGGSA-N 442.247 1.305 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2267264585 TYFZGNGVZOFCOF-RYUDHWBXSA-N 440.231 1.154 30 10 IDEE CO[C@@H](CCO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311184 FCJSBVDMXHDDKU-JTQLQIEISA-N 425.765 1.376 30 10 IDEE C=CC1(C=C)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286041919 AYTYJGCSZYIBLC-KRWDZBQOSA-N 438.502 1.227 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2312862780 KOAOWJZUEMWUBB-PEHJNBARSA-N 440.346 1.316 30 10 IDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2325716209 DYVFGHTXEFOUJN-UHFFFAOYSA-N 437.861 1.837 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2334313102 GJBLTNNFDLWUQS-QLFBSQMISA-N 444.341 1.904 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2337185056 UHETYIQBWVLNGU-SOUVJXGZSA-N 446.357 1.847 30 10 IDEE Cn1nc(Br)c(Br)c1[C@@H](C#CC(C)(C)S(C)(=O)=O)NN 2365195165 ZHSJDXNWSSNKPV-SSDOTTSWSA-N 428.150 1.276 30 10 IDEE CC1(C)OB(c2ccc(CN3CCS(=O)(=O)CCO3)cc2Br)OC1(C)C 2377425145 QORMCGVICOMHMX-UHFFFAOYSA-N 446.172 1.910 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 111223749 HTKPIJHYNVWSKD-HXUWFJFHSA-N 436.553 1.919 30 10 IDEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nnc(SCC(N)=O)[nH]1 253578524 YLZYUYRWUKHTAD-SRZZPIQSSA-N 441.521 1.159 30 10 IDEE COCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)cc2)c1=O 254863333 MBCDKCWWNZNFNY-UHFFFAOYSA-N 427.526 1.080 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)COC3)CC1 431680906 WOZUUVQGZBYQIK-UHFFFAOYSA-N 426.498 1.805 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461749756 NSXBMYQZHPOGCD-UHFFFAOYSA-N 440.485 1.845 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NCCOc3ccc(C#N)cc3)c([N+](=O)[O-])c2)CC1 462907071 DTFWIBJODVFEIL-UHFFFAOYSA-N 445.501 1.893 30 10 IDEE COCCN1CCCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 470765490 NAPNTCNCMLDFPZ-UHFFFAOYSA-N 441.488 1.730 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 478742865 FLEYDEMTFLCFAB-UHFFFAOYSA-N 439.581 1.750 30 10 IDEE Cc1ccc(-c2nc(-c3c4n(c(C)cc3=O)CCC4)no2)cc1S(=O)(=O)NCC#N 485350172 SSDUURDRMIRTBX-UHFFFAOYSA-N 425.470 1.930 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1C#N 489097460 DXYINUMECOYVNU-GASCZTMLSA-N 428.514 1.990 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cn2)CC1 500676667 HIKBRMPKPQTFMW-UHFFFAOYSA-N 434.548 1.522 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 508824877 IWZBLXASMBFQJG-HNNXBMFYSA-N 445.467 1.851 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508892125 BOLGJTQUYNIJMI-HNNXBMFYSA-N 425.493 1.828 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 512423975 MFQKAJVUQRQSAC-RBBKRZOGSA-N 427.593 1.917 30 10 IDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 521637032 PIYUQZLJTPHTCK-ZDUSSCGKSA-N 432.468 1.616 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)n(-c2ccc(F)cc2)c1C 533432823 IUYKQNOCIOHDIH-INIZCTEOSA-N 433.509 1.667 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(C(=O)N3CCCC3)CC2)CC1 553608103 VVJBFXWEQVUWFY-JOCHJYFZSA-N 441.551 1.869 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 561704528 DDGDHEJINGBXFD-QGZVFWFLSA-N 429.502 1.746 30 10 IDEE COc1cc(I)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 570544539 WAMYPORSHHQMNB-UHFFFAOYSA-N 443.241 1.506 30 10 IDEE COc1ccc(Br)cc1[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)O 572174843 LAKZUBQBHKATAV-CQSZACIVSA-N 426.248 1.829 30 10 IDEE CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c2cccs2)CC1 586858997 OKGFLLQOKYCDFG-GOSISDBHSA-N 429.521 1.480 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccccc1C 603798739 HPAFAZQSRRRABZ-UHFFFAOYSA-N 433.533 1.782 30 10 IDEE Cc1c(C(=O)N(CCC#N)CCN2CCOCC2)nnn1-c1cccc2c1CCN(C)C2 609447817 DDTYKJJBJQPNJV-UHFFFAOYSA-N 437.548 1.252 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 670222210 NQXBKOPVTQFGDA-UYAOXDASSA-N 443.596 1.469 30 10 IDEE CCNS(=O)(=O)c1ccc(I)c(B2OC(C)(C)C(C)(C)O2)c1 694986273 ZDPRPWMTOMMSHR-UHFFFAOYSA-N 437.108 1.889 30 10 IDEE O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 727371420 UGFQJKSSXPJNCL-INIZCTEOSA-N 444.538 1.655 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 728877134 JUQFUELTTIHBOD-UHFFFAOYSA-N 425.466 1.773 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 730139057 PKHUVDWVSBJNCI-YOEHRIQHSA-N 449.577 1.219 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 732465565 HPWMRRXTNQHCOD-ZZEZOPTASA-N 429.452 1.256 30 10 IDEE COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1Cc1ccc(OC)c(C#N)c1 746644876 YIEYOMIDGQNEPU-UHFFFAOYSA-N 425.426 1.434 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(F)cc1C#N 751032773 LNUTXZKRAIDPRF-UHFFFAOYSA-N 440.497 1.397 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@H](N(C)C(=O)C3CCN(CC#C)CC3)CC2)CC1 754094500 VAJSQXQANCUTGS-QHCPKHFHSA-N 426.605 1.516 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)NC1(C#N)CCCCC1 755187070 QOGQRUIDHXZSGS-HNNXBMFYSA-N 436.509 1.388 30 10 IDEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccccc3C#N)c1=O)OCO2 758952307 VBUXSCWXRLESJB-UHFFFAOYSA-N 428.429 1.535 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768048830 JNISPCPWPYKUSV-ZETCQYMHSA-N 428.314 1.389 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)CC1 775976447 FKQUERUGMQAYHM-IPMKNSEASA-N 444.557 1.874 30 10 IDEE C#CCN(C(=O)COc1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 783359826 ZLKSBBDRWSHGRT-ZDUSSCGKSA-N 433.267 1.319 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)s1 788014342 LYFCATFJOOWGEZ-UHFFFAOYSA-N 435.531 1.424 30 10 IDEE C=CC[C@]1(C(=O)NS(=O)(=O)c2ccc(C(N)=O)s2)CCCN1C(=O)OC(C)(C)C 791804480 SSYKPUANJRMCPY-GOSISDBHSA-N 443.547 1.998 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3S(=O)(=O)C(F)F)CC2)n1 805063720 WAASKACBTSWEPM-UHFFFAOYSA-N 442.469 1.460 30 10 IDEE C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 810834570 UUIOVYARUQBSDJ-LLHSCAJVSA-N 434.492 1.700 30 10 IDEE C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 913529034 QYVKQODNTGATOW-CQSZACIVSA-N 443.485 1.371 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NN=C(C)c2ccc(S(N)(=O)=O)cc2)nc1 916339165 FUNOVZMFJCCXOE-UHFFFAOYSA-N 425.536 1.596 30 10 IDEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1nncs1 1084576180 DBJWBYSFGVTHQM-UHFFFAOYSA-N 441.502 1.879 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccnc(C(=O)OC)c3)cc2)C1=O 1133567253 ZDFGULJEFFLDBY-UHFFFAOYSA-N 438.396 1.576 30 10 IDEE C=CC[C@@]1(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CCCN1C(=O)OC(C)(C)C 1133683663 ZUWGHXAXKWVPAM-KRWDZBQOSA-N 437.584 1.506 30 10 IDEE COC(=O)Cn1nc(C)c(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1C 1137977062 SFUSMQASPICQFA-UHFFFAOYSA-N 432.521 1.940 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCn2cc(Br)ccc2=O)cc1 1141513986 ICNAVFMDHWHNKO-UHFFFAOYSA-N 438.303 1.214 30 10 IDEE C=CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1154868018 XPBZDEBODDKCRL-UHFFFAOYSA-N 430.482 1.657 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)CC2=O)cn1 1163652178 LSDFHYJJLKHNLI-ICSRJNTNSA-N 436.516 1.491 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOc4ccccc4[C@H]3CO)C2=O)cc1 1178769886 OYXJNGKVQMCAEK-RBUKOAKNSA-N 434.452 1.718 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]2C[C@H]21 1179740190 RKMXWNDGPQJLGT-DLBZAZTESA-N 434.518 1.712 30 10 IDEE N#Cc1cc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)ncc1Br 1185460627 OBOTTWRAQAHHTK-UHFFFAOYSA-N 436.354 1.771 30 10 IDEE COc1ccccc1NC(=O)CN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1192435187 NUYJOWVAGBNGRF-UHFFFAOYSA-N 446.507 1.551 30 10 IDEE N#Cc1cn(CCNS(=O)(=O)c2ccc(Br)c(Cl)c2)c(=O)nc1O 1192714890 FFHBLDUURMWDAX-UHFFFAOYSA-N 433.671 1.215 30 10 IDEE CCN(CC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(SC)c(C#N)c2)CC1 1255376717 NRYVHJIDFKUTFB-UHFFFAOYSA-N 425.580 1.694 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1286369446 QFSBJSLFRWPEHJ-GOSISDBHSA-N 449.559 1.855 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCOCC(F)F)CC1 1286489974 ITEUDMYFNQXIKF-UHFFFAOYSA-N 432.475 1.978 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccs2)CC1 1286493901 JAAKBBWMARVQPW-UHFFFAOYSA-N 426.546 1.476 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1 1286514178 AXYANGCNSKZRDJ-WMZHIEFXSA-N 428.581 1.863 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286703473 NIMMIZOBHNSTOA-UHFFFAOYSA-N 428.541 1.770 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286715670 PKAPNRSLLPMZET-KRWDZBQOSA-N 440.552 1.490 30 10 IDEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)COC1 1286768249 WADOKDWHNHPWBA-UHFFFAOYSA-N 434.566 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCC2)C1 1286822709 NUTCDCUXAGOXCR-FQEVSTJZSA-N 444.605 1.929 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCC(O)CC2)CCOC1 1286961334 NQLBJLZZCHLPCV-AVRDEDQJSA-N 434.585 1.761 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CCOC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1288060037 HSASTHVPBWXMHW-VLGSPTGOSA-N 447.540 1.194 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)n1 1290646484 HYNFAHDASMJTEM-IBGZPJMESA-N 429.525 1.454 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 1293214347 JSYDEGSGVFDFJC-QGZVFWFLSA-N 425.510 1.591 30 10 IDEE C=CCC[C@@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1298020937 OTFZMAAQFWPGLV-MSOLQXFVSA-N 428.489 1.550 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccccc2F)n1Cc1ccc(C#N)o1 1298199436 AYSVGMKMYJLUSY-UHFFFAOYSA-N 438.463 1.816 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1300125849 LWOYEXIPQPCJDD-ZCNNSNEGSA-N 427.505 1.341 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC1(O)CCS(=O)(=O)CC1 1300291279 CNJHRJAUJGMUQM-INIZCTEOSA-N 439.541 1.891 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCOCCS(C)(=O)=O 1300315508 YOIGWRVOHFAPDH-MRXNPFEDSA-N 430.534 1.036 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300352939 QTSXZNYBAPPJRV-SFHVURJKSA-N 425.489 1.819 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1300393544 VLWNDOCMKPLQHS-RTBURBONSA-N 444.532 1.956 30 10 IDEE C#CCN(c1nnc(C)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300483736 LMKMCJZVEMKZEE-HNNXBMFYSA-N 425.555 1.517 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300489997 XASPMAIDTSWQHA-ICSRJNTNSA-N 443.573 1.293 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)C 1300569721 RSDJTHYUTOTLTO-UHFFFAOYSA-N 431.504 1.156 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1300682725 PTRKSZSTSJVOKR-LJQANCHMSA-N 437.592 1.999 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(CO)c2)CC1 1300719418 AFQBHCCEQVINOL-UHFFFAOYSA-N 430.512 1.847 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1300972763 PRHKHMCZQWNZML-WMZOPIPTSA-N 441.598 1.734 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1 1301219687 OJGMFPTUWQTPOI-UHFFFAOYSA-N 442.493 1.859 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301479170 VMHPEYMWPZOQSP-AWEZNQCLSA-N 429.525 1.789 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301500398 LZVFXYJGJCDTGS-ZWKOTPCHSA-N 432.569 1.463 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1301514109 FEIJKVUIQMCJTC-UHFFFAOYSA-N 444.467 1.377 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1301999564 GNMSJLJWNQRJDL-GOSISDBHSA-N 434.585 1.977 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1313072601 YKNQDKLYLXOOOQ-UHFFFAOYSA-N 433.509 1.618 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@@H](COC)C2)C1 1314259330 AICMANOAQWLXSQ-GUSQXSHHSA-N 441.532 1.987 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CC1 1314740862 DIWOUQKVGOSQQB-DYESRHJHSA-N 429.546 1.849 30 10 IDEE Cc1nnc(N2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)c(C(N)=O)c1C 1318344544 AXPLSIFYHNSNQY-FQEVSTJZSA-N 436.516 1.816 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1359010769 YQZFNLAARZWYER-ABHNRTSZSA-N 439.582 1.276 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC2(C1)OCCO2 1359027305 DRQJLKBAVZDAAC-FHWLQOOXSA-N 434.537 1.631 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 1359042959 AQFIRNUVRWEXFO-WJOKGBTCSA-N 442.589 1.853 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1359056643 IXQJAMBAXXAUBT-ROUUACIJSA-N 438.619 1.942 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1359291167 HCAIOZTXJZFIIJ-MRXNPFEDSA-N 447.584 1.097 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359302886 WWLKYJXWRNOCBA-FQEVSTJZSA-N 449.563 1.691 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359334455 GMZFYAIAJSCIOE-KRWDZBQOSA-N 436.582 1.168 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359336062 DDYRRXOKRUWSTK-FCEWJHQRSA-N 426.539 1.115 30 10 IDEE CCOC(=O)N1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[C@H]1c1ccc(C)o1 1439798154 SBFXIICBMFQZBR-ZKNHNOBHSA-N 435.502 1.647 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)[C@H]1c1cnn(C)c1 1442473556 OBHNBFNQBGELAA-VAMGGRTRSA-N 432.440 1.608 30 10 IDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)COc2cccc(Br)c2C#N)C1 1448760436 SUMHLOSRDKDSQB-ZIAGYGMSSA-N 427.295 1.572 30 10 IDEE C[C@H](CC(=O)N1CCN(c2cccc(F)n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1449999256 KYMKOJQHMIBUGH-CQSZACIVSA-N 431.493 1.387 30 10 IDEE N#Cc1cn(CCNC(=O)COc2ccc3cc(Br)ccc3c2)c(=O)nc1O 1453840686 FMJPQERUSNMCEV-UHFFFAOYSA-N 443.257 1.931 30 10 IDEE Cc1cccc(C(=O)NC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1454304797 ALFYRSVOFBUVHN-UHFFFAOYSA-N 440.525 1.566 30 10 IDEE N#Cc1cn(CCO)c(=O)n(Cc2csc(-c3ccc(Br)cc3)n2)c1=O 1459189659 UPNYUJVHCFMBEX-UHFFFAOYSA-N 433.287 1.808 30 10 IDEE N#Cc1cn(CC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)c(=O)nc1O 1465764713 DWFVTOYUEFXFBZ-UHFFFAOYSA-N 425.489 1.008 30 10 IDEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(OCC(F)(F)F)cc1 1468224377 GZYMDODENZRINS-NSHDSACASA-N 425.367 1.822 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1473411556 CUSJKTHXGQNNRK-QZTJIDSGSA-N 437.585 1.880 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1494105940 FMUPWBLWECWZEP-MRXNPFEDSA-N 430.516 1.993 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1504443297 WOGGKJQDVKRSLK-BBWFWOEESA-N 429.477 1.134 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507581386 UPFXXUCNTHOIOX-OAHLLOKOSA-N 439.911 1.939 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507632222 YFZWCIGPSGAARU-QZTJIDSGSA-N 432.550 1.265 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507755902 WZOVFEOVDSLYDG-RBUKOAKNSA-N 448.637 1.923 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1507783455 CUVOTGMYZSYSGH-ZDUSSCGKSA-N 436.376 1.754 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507791613 OCTWLCIQEHIQED-CKJXQJPGSA-N 432.525 1.428 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507853043 GHIYYOXMAGOHAM-UKRRQHHQSA-N 448.886 1.457 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507966615 AJFZXCYPLBXXHS-ROUUACIJSA-N 439.582 1.379 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1508084256 KNNLXQWIOPVCLT-UHFFFAOYSA-N 433.516 1.562 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(N2CCCCC2=O)CC1 1508148023 FCZDSKCYWJMVPV-UHFFFAOYSA-N 439.582 1.397 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1508422197 DCNQZEXNHQCSQP-SJORKVTESA-N 432.550 1.746 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517125684 UASYGVGQLZJNFO-BKBKCADHSA-N 447.499 1.816 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1519529854 DYPVVKGCPKEDKQ-SFHVURJKSA-N 428.518 1.243 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1C[C@H](C)O[C@H](C)C1 1539171594 LNBXREVAMAIXTA-HDICACEKSA-N 449.559 1.761 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCN(CC)CC1 1539331554 TVCIEHQHGGFUPI-OAQYLSRUSA-N 439.608 1.137 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N(CC)CC)CC1 1539431519 UXDHQFKHHGQBLR-REWPJTCUSA-N 432.613 1.804 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nccs2)CC1 1539446262 AMXFKKNCQWTIKI-HZPDHXFCSA-N 434.591 1.196 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539447954 ZQBLUJABRJYPOC-LEWJYISDSA-N 430.597 1.284 30 10 IDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1540006158 RDUZZGYKFOCEMP-INIZCTEOSA-N 434.541 1.879 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1540036526 OMUUJPLQRSPJJW-GOSISDBHSA-N 425.599 1.551 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCN(C)C2)C1 1540886293 ZMGATFWRZFBKBC-NQIIRXRSSA-N 428.493 1.701 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCO[C@H](C)C2)C1 1540895349 QCZKYKYXEBQJKP-WOJBJXKFSA-N 446.596 1.683 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(C(N)=O)nc2)CCOC1 1541105233 GOACXANSTQAEGQ-YCRPNKLZSA-N 427.509 1.457 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1 1541888626 GCEMXYYNSZTHOY-OAHLLOKOSA-N 427.534 1.662 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1557666044 QYVIAORPQZHNCF-LHSJRXKWSA-N 449.508 1.599 30 10 IDEE C#C[C@@H](CC)NC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1564872243 UPPHDSOHOOLBFS-INIZCTEOSA-N 442.379 1.962 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1565265993 DFCHNIZTCRPEEC-JOCHJYFZSA-N 429.565 1.513 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1584440370 KPPCNHGWTBEBHX-OTWHNJEPSA-N 439.512 1.937 30 10 IDEE Cc1nc(Cn2cc(C(=O)Nc3ccc(C#N)cc3I)nn2)no1 1584666927 JLEAOMZTHVNPID-UHFFFAOYSA-N 435.185 1.746 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1587562116 LKKZLYVIKMOTTI-LSDHHAIUSA-N 433.534 1.556 30 10 IDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587749748 MLCFPLPAWILFEH-UHFFFAOYSA-N 425.537 1.260 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588074227 LGLAAJGLTXTFEE-HZPDHXFCSA-N 435.575 1.846 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1594963299 RFMFYFJJFUTDDC-OAHLLOKOSA-N 440.595 1.549 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1595296607 GWLQMRCDAYZESI-INIZCTEOSA-N 444.927 1.807 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1595467113 QGNSWZYJDZCUEB-OAHLLOKOSA-N 444.540 1.609 30 10 IDEE C=CCCC[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)C(=O)OC 1596245523 ZMBXKJVCCCKACX-ZDUSSCGKSA-N 426.520 1.910 30 10 IDEE CON(C)C[C@H](O)Cn1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1596315432 USOJJWOWILATQO-SFHVURJKSA-N 435.525 1.326 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)C1=O 1616490982 JJLYDWMUABUXFO-CABCVRRESA-N 436.509 1.505 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)ccc1F 1616746887 AQFJUIQGJCUWMV-JZJQHEAOSA-N 426.510 1.992 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1616910544 FTVIHYWINWBZAK-OPAMFIHVSA-N 444.511 1.692 30 10 IDEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1617045872 HDXSELVVZFSBLR-DNVCBOLYSA-N 442.561 1.927 30 10 IDEE CCN(CCC#N)C(=O)CN1CCNC(=O)[C@H]1c1ccc(I)cc1 1620637691 BMUOEVDERPDACA-MRXNPFEDSA-N 440.285 1.526 30 10 IDEE C#CCCOc1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1 1620640622 GQBVGCLALIYJSX-UHFFFAOYSA-N 434.452 1.834 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cc(=O)n3ccccc3n2)cc1 1622886894 XQSGOFDCXITDTF-UHFFFAOYSA-N 427.486 1.823 30 10 IDEE C#CCN(CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 1625582947 UJUAMXSCRYCLHD-UHFFFAOYSA-N 435.546 1.780 30 10 IDEE C=CCn1cc2ccc(NC(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)cc2n1 1627664002 AYNBPANYVUGMIZ-UHFFFAOYSA-N 430.490 1.890 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1630719813 KXOWLEBKCJDGFF-SNVBAGLBSA-N 445.261 1.908 30 10 IDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1634053506 PDJBUBGGNQGHBW-QOQLHOOGSA-N 433.553 1.988 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)s1 1634053892 VPNRWGHRAHBHIA-UHFFFAOYSA-N 426.520 1.498 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1636035611 CEHOHAFTGVJOQF-ROUUACIJSA-N 442.520 1.637 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1637518456 FIDIZISOXVDXMO-ULMVMLMRSA-N 440.566 1.650 30 10 IDEE C#CCOCCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1642785802 VFOZZUQELLXTBD-QZTJIDSGSA-N 434.537 1.421 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC)s1 1643330930 SJWUONAPUBAPQJ-GOSISDBHSA-N 447.582 1.845 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCC#C[Si](C)(C)C)c1 1645184502 OWADRJNASSNZOE-UHFFFAOYSA-N 437.638 1.834 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCC1(N2CCOCC2)CCOCC1 1655585661 DYXTWBUIMFWVQR-UHFFFAOYSA-N 444.351 1.480 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1 1655730934 XTCSZZDCQGZXBX-UHFFFAOYSA-N 433.555 1.859 30 10 IDEE COC(=O)[C@]1(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)CCOC1 1659497672 BVBYJTKQOYEYAA-QFIPXVFZSA-N 446.573 1.777 30 10 IDEE N#Cc1cn(CCNC(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)c(=O)nc1O 1671117640 HJNLVXWYUJXEIU-UHFFFAOYSA-N 433.350 1.847 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(C#N)cn1CC 1672913218 BNACVNPQBTYTQW-WFASDCNBSA-N 427.465 1.605 30 10 IDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1681012356 GHDBDQXTISBDBR-LJQANCHMSA-N 448.593 1.989 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689988461 PNEHICLKMARERD-JENIJYKNSA-N 444.561 1.423 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689994251 VCQOYFWMKHEAAG-XLIONFOSSA-N 438.619 1.506 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(O)(CC)CC 1690013637 XSFYNQDDLSHIFX-UHFFFAOYSA-N 428.562 1.862 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690098233 AOXFCEJPKNQLIK-SFHVURJKSA-N 442.545 1.184 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1690234322 ADXCUMSEEOLQPL-CQSZACIVSA-N 427.347 1.296 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690506381 MEAXGDIMTVZUBU-OAQYLSRUSA-N 442.524 1.086 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cnnn1 1690559572 HDNUUORVGXFPHM-SFHVURJKSA-N 432.492 1.370 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1690672818 FCYWWRRMZHEDHV-UHFFFAOYSA-N 433.516 1.949 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)OC[C@@H]1C 1690714260 IGZYOHSAYSDTIK-HNNXBMFYSA-N 425.555 1.119 30 10 IDEE CCc1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694667435 VXTLJJLDPMFXBH-AMGRQBIBSA-N 430.509 1.141 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C)COC1 1698164606 GQJQTJHQYJJCAO-QGZVFWFLSA-N 441.536 1.632 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC2CC2)CCO1 1698493397 LOIFNDJVMSFTGL-OAHLLOKOSA-N 436.925 1.547 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CCO1 1698493590 NATQOKJMSSBRTC-WMZOPIPTSA-N 437.566 1.648 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC 1705483478 VZKGFYYIYKCSDG-LBPRGKRZSA-N 426.340 1.715 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@H](C)C1 1705490983 VEEDPUIMJCFMIP-IAGOWNOFSA-N 428.537 1.965 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705568415 NESHMOSQRUAPNT-GOSISDBHSA-N 431.562 1.528 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOCC)CCCC2)CC1 1705638414 KGNLUYZPNZANQK-IBGZPJMESA-N 428.581 1.971 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705936536 SNOCSJLPORXNCZ-OAQYLSRUSA-N 439.626 1.769 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(CS(C)(=O)=O)CC1 1706108959 TVHJREKHSGASPF-UHFFFAOYSA-N 444.561 1.935 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1706743976 HVQWASRFIAYHFK-AWEZNQCLSA-N 443.537 1.111 30 10 IDEE COCc1nocc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1712230419 YAAMFUDDYVBATO-OAHLLOKOSA-N 434.522 1.493 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2=CCCOC2)c1 1722308969 IGGARLGITNRUOO-IBGZPJMESA-N 434.500 1.632 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1722410461 FHTXQECVWVBDTG-MRXNPFEDSA-N 427.505 1.957 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722697587 MRBMUPLXPYCJOZ-UHFFFAOYSA-N 433.520 1.376 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722781180 CVIRUAJPOCQUPF-GOSISDBHSA-N 442.545 1.310 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cc(CO)nn1 1723025325 BHMJOLLHQGXYLX-LZJOCLMNSA-N 446.531 1.813 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCSCC1 1729069725 JXYOEHWTAGKOFC-UHFFFAOYSA-N 442.593 1.457 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CCO1 1730609029 FZYPPQJZFYBUGT-HXUWFJFHSA-N 437.504 1.786 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1730907937 CAZGFUBDCRFQIW-DLBZAZTESA-N 426.477 1.031 30 10 IDEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1730928059 VVKIDPINHKSVMN-GOSISDBHSA-N 427.509 1.038 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1731011400 DHHSNSFZATUVBN-QZTJIDSGSA-N 436.582 1.726 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740591370 OOGYIRYYNJKOSV-NJAFHUGGSA-N 437.566 1.028 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1740609124 LBUFTEJUFAWYIK-QGZVFWFLSA-N 436.516 1.940 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1740626239 KKUUNTVRSCFXJC-JKSUJKDBSA-N 447.561 1.743 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)c2nccs2)CC1 1740692579 MEUQAVIUCADVHZ-UWJYYQICSA-N 430.578 1.946 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](CC)N2CCCC2)CC1 1740704062 GYPYJGCZWDALHN-HXUWFJFHSA-N 438.580 1.519 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740718883 CZVSGNBWDGJGRY-ZWKOTPCHSA-N 425.558 1.959 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740747204 BMVARBQIPPBYNV-HUUCEWRRSA-N 434.342 1.763 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN(C)C(C)C)CC1 1740963630 RHHOYOGQFJXLHA-UHFFFAOYSA-N 431.585 1.259 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740993250 VCEGXTNZTDWLHC-QGZVFWFLSA-N 433.534 1.254 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CC1 1741172019 AHUGBNZOPGSGKO-UHFFFAOYSA-N 430.534 1.688 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCO[C@H](C)C2)cs1 1742591108 DACZNFZUBKMWRD-APWZRJJASA-N 445.593 1.864 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748657584 FNHWJFLXFXTZQP-BTYIYWSLSA-N 425.514 1.501 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748814165 ADVWUQVIDHUZME-HNNXBMFYSA-N 433.500 1.666 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748823905 FHPBTQUSAILYCN-HZPDHXFCSA-N 438.941 1.306 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@H]1C 1748876406 DRISNTUGWICHMY-WZONZLPQSA-N 430.516 1.935 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)c1 1748933246 HEGGKCOQBITEEQ-FQEVSTJZSA-N 436.472 1.808 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@@H]2CC)CC1 1748990564 YQBYKTMCAFVHAW-PMACEKPBSA-N 448.637 1.200 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCN(CC)C2)CC1 1749008953 DQKYVOMEKZRLMC-QUCCMNQESA-N 428.581 1.827 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749119974 ZCJRIXRURGWPHV-MHORFTMASA-N 442.582 1.607 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749650001 GTXZEHLVDKXYOR-WMZOPIPTSA-N 429.525 1.622 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749676776 CXQFUDINDQEABK-MRXNPFEDSA-N 428.562 1.728 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1751006030 BYONLIMPIOGEMV-YWZLYKJASA-N 430.513 1.210 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760184274 IJUQGWYFVXDSLI-KNQAVFIVSA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760189852 MHVNVDQNTPGWSW-RBUKOAKNSA-N 429.546 1.460 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1C(C)(C)C 1760222248 CNOYADJSPBGAJQ-HKUYNNGSSA-N 425.537 1.860 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760281012 WNFZRQWHSWQBJW-QGZVFWFLSA-N 448.618 1.781 30 10 IDEE C=C(Cl)Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760366553 CITJEZVMCXBROJ-HZSPNIEDSA-N 431.946 1.466 30 10 IDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1760437963 UDFHOWDPLQAVBY-MRXNPFEDSA-N 437.504 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC(C)(C)C1 1760548765 ORQVLNOKLOUUJS-LSDHHAIUSA-N 447.627 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1760550669 FZVAQYWLANLMQD-QGZVFWFLSA-N 436.513 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760553882 KTNLIBQSEXCURI-ZDUSSCGKSA-N 435.472 1.261 30 10 IDEE C[C@@H]1CCC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762827346 SZEITMYYYDFWRL-ZWBBSNAGSA-N 441.536 1.771 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)c1cccc(O)c1 1763017322 HUWBVCKXNRLKLI-UHFFFAOYSA-N 447.499 1.901 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1763922898 ACSGBSCDBHQQJI-JKSUJKDBSA-N 446.577 1.991 30 10 IDEE CN(c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1766972009 PWSGXKOVTWPYEV-KIJUOZEOSA-N 448.549 1.085 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)Cn3nc(-c4ccncc4)ccc3=O)CC2)CC1 1849758834 ZVFBSZZYMSTLAT-UHFFFAOYSA-N 434.500 1.306 30 10 IDEE C=CCN1C[C@@H](C(=O)N(Cc2ccccc2)c2nnc(-n3nc(C)cc3C)nn2)CC1=O 1851995181 KXSJFSOTOPSXNY-SFHVURJKSA-N 432.488 1.637 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2C(=O)NC[C@H]2C2CCCCC2)CC1 1852170019 YCSNRILFSNSVMS-PMACEKPBSA-N 425.533 1.561 30 10 IDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(C)C)nn1[C@H]1CCS(=O)(=O)C1 1869964526 PABDNDWUQJYXDX-AWEZNQCLSA-N 435.506 1.286 30 10 IDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1cc(OC)cc(OC)c1 1870961813 HVAYGOVHAPTFKY-UHFFFAOYSA-N 431.489 1.805 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2006263142 MELCZTPPUXAUGE-QWHCGFSZSA-N 425.345 1.935 30 10 IDEE CC(C)(S)[C@@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(=O)O 2074743439 UDNCKZLUAMRCSA-YVEFUNNKSA-N 432.495 1.092 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2124538745 MVHDSDBWUWTHQR-UKRRQHHQSA-N 448.329 1.644 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC(O)C1 2131460931 XNLUKASAURCFFY-UHFFFAOYSA-N 448.329 1.380 30 10 IDEE C#CCN(CC(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2212237245 AAFAMAIOXGGPMR-OAQYLSRUSA-N 425.526 1.735 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(=O)NCc3ccccc3)s2)OC1(C)C 2243411965 DDDGLFORSBXBAR-UHFFFAOYSA-N 436.364 1.642 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255595484 IYQDHZBXVGOYRK-CYBMUJFWSA-N 438.334 1.057 30 10 IDEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CN(C(=O)OC(C)(C)C)C1 2255623522 OGSIXCMOBGLMAQ-CYBMUJFWSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]12 2255645198 GCCHMLXKAVBPCP-ZIAGYGMSSA-N 430.314 1.371 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)n1 2255653338 HQFVKYWQWSGKLK-GJZGRUSLSA-N 432.330 1.553 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255827814 NEMMKGVFGPGWRK-NSHDSACASA-N 430.236 1.240 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C 2255831182 RFICICMPTLERRK-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2255881382 WAQWWYWPVVWHMB-CYBMUJFWSA-N 433.318 1.020 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267113497 USLSCXWMUIBAFL-KBPBESRZSA-N 449.361 1.632 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2267460664 MIFGTHYMYQKPPT-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE Cn1cc(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267505195 DSCNPHHAWQESMK-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550097 UWKVVSJEWSHUKX-HNNXBMFYSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2267556773 YZZKTOWLFNFIPS-BZUAXINKSA-N 448.325 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267586344 JARKFEVOZJETEM-UHFFFAOYSA-N 447.341 1.483 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2267605687 PFOXMXWLRYWRLA-CYBMUJFWSA-N 449.361 1.490 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2269073145 GUNGQQRADOLRAX-IBGZPJMESA-N 439.321 1.696 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2315531723 FLJIXMOERHFTQO-UONOGXRCSA-N 434.346 1.895 30 10 IDEE Cc1ccc(O)c(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 2327829891 XMKQVVFZMIDDCB-AWEZNQCLSA-N 430.534 1.866 30 10 IDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=C3CCCC3)n2)s1 20836751 OMTMBHWQFKGRLI-UHFFFAOYSA-N 427.541 1.306 30 10 IDEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)ccc1O 21326609 SQDJMUSAGZGILZ-UFWORHAWSA-N 434.507 1.730 30 10 IDEE CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 119084691 JBVVDXJXIDYDMF-XVEOMDRSSA-N 446.540 1.688 30 10 IDEE in-vitro N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 301340907 FMNJGHSZJGJEQO-UHFFFAOYSA-N 430.921 1.829 30 10 IDEE C=CCN1C(=O)C(=O)N(Cc2nc(C3(C(=O)NCc4ccccc4F)CC3)no2)C1=O 445815219 ICAAPRNYEREQFZ-UHFFFAOYSA-N 427.392 1.034 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478754401 JKVRAOAWHQMDJG-KRWDZBQOSA-N 428.558 1.984 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccccc1C#N 479389075 DJPLXJAJIGKHME-UHFFFAOYSA-N 445.504 1.204 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)CC1 482415010 YVXJYMKCQPJLQS-KRWDZBQOSA-N 442.438 1.706 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@@H]1CCCO1 486841608 OUJUMHQDIXUCBH-HNNXBMFYSA-N 449.935 1.911 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 487511785 IEJNKLBGVFJKGI-PMACEKPBSA-N 432.484 1.549 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1 505502914 IKGOYZAMKZXENF-MJGOQNOKSA-N 437.500 1.624 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 509014164 RTOPARFDBRQEMD-GOSISDBHSA-N 438.598 1.252 30 10 IDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 513784105 LEBRWCAMGIJWNL-UYAOXDASSA-N 432.590 1.644 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C 535320733 JIDGCHOTDKWYDF-KXBFYZLASA-N 428.514 1.041 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)c1 539596553 ATZSTPIRXQYKFJ-UHFFFAOYSA-N 446.532 1.701 30 10 IDEE Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544844557 RGIUCIZNNINLCE-UHFFFAOYSA-N 434.543 1.485 30 10 IDEE C=CCn1c(Cc2noc(/C=C\c3cncc(C(=O)NC)c3)n2)nnc1N1CCOCC1 545647439 PQKUEUCPYHYNMI-PLNGDYQASA-N 436.476 1.200 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)CC2)n1 546876436 DPBBNPMFBFSJJL-UHFFFAOYSA-N 428.378 1.910 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 590914180 WBEVAQOHSPJYIB-SFHVURJKSA-N 441.553 1.373 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 605408631 BUFOIVURNXEDDX-UHFFFAOYSA-N 434.562 1.855 30 10 IDEE COCCOc1ncccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609079427 CFZXIWACXLKBBG-UHFFFAOYSA-N 445.501 1.517 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCN(c2ccccc2)C1=O 609492482 FQWZLCBAQYSUMY-IBGZPJMESA-N 426.498 1.756 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cc(Br)c2c(c1)OCCO2 746170425 GJBSDCXJMHTXRJ-FBMGVBCBSA-N 436.262 1.753 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1C#N 747495640 PDSYLDMHXVTLJM-UHFFFAOYSA-N 442.497 1.606 30 10 IDEE C#CCN(CC#C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 752301577 IPMJHLWCLGWWME-XMHGGMMESA-N 441.509 1.425 30 10 IDEE CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760553026 UVDXXURQIXRYLL-HSZRJFAPSA-N 434.500 1.899 30 10 IDEE C[C@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 760848919 LSWWLSKAHXWGRS-OAHLLOKOSA-N 438.513 1.119 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 761626933 AFWWCKHNAHEHOG-UBJVEFMGSA-N 436.538 1.425 30 10 IDEE C#CCNC(=O)CN1CCN(c2ncnc3cccc(I)c23)CC1 762801769 QEVIZHMBKUSUKZ-UHFFFAOYSA-N 435.269 1.106 30 10 IDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 766066448 YAZYLDCILNZKNS-CYBMUJFWSA-N 445.419 1.950 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)cc1 766421046 UMQWLHODVMXOFH-GOSISDBHSA-N 426.546 1.985 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)OC)c(C3CC3)n2)cc1 779980064 ZDKVWMHGFNHGGB-UHFFFAOYSA-N 427.482 1.587 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)c1 785416124 BOMLTBASRANWMQ-UHFFFAOYSA-N 441.509 1.631 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2c(Br)cnn2C)c1=O 794647458 QDNHHPWQQOSPFR-UHFFFAOYSA-N 447.358 1.547 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1cncn1C 796678562 QKVFNXSKOQNBNM-YLJYHZDGSA-N 443.529 1.628 30 10 IDEE C[C@@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 799866084 TYROBLFQJOSAFT-JSGCOSHPSA-N 443.570 1.222 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=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)c1 800397405 RQJXAIZVBVVYCJ-LNDKPYMUSA-N 433.283 1.453 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 807710993 NVMSVCZYSFIOMI-OAQYLSRUSA-N 434.493 1.213 30 10 IDEE COc1cc(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)ccc1C#N 812250723 QDIQFIWMQVUZIC-WUTDNEBXSA-N 432.480 1.986 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCO1 812295109 WDQLSIYEDBRJSS-LJQANCHMSA-N 441.557 1.837 30 10 IDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCn1nc2ccccn2c1=O 914619056 XJGDKQAJPFKWCW-UHFFFAOYSA-N 439.375 1.823 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cn1 1084042176 UMVQYOCQLFFKAK-UHFFFAOYSA-N 443.537 1.628 30 10 IDEE CO[C@@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N(C(=O)OCc2ccccc2)C1 1137591688 GBTGTDMUVGYTFX-APWZRJJASA-N 440.504 1.681 30 10 IDEE C=CCC1(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)CCOCC1 1140377355 FNYLPANYNBZHBK-SFHVURJKSA-N 429.565 1.322 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1144409908 WUXLQXDTLCMHKY-KRWDZBQOSA-N 444.598 1.589 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2occc2CN2c3ccccc3C[C@@H]2C)CC1 1152967271 DBHBZNKQBJGYHR-KRWDZBQOSA-N 442.541 1.456 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(C(=O)N3CCOCC3)CCCCC2)c1 1159342965 YZAJGKVSIMQPRL-UHFFFAOYSA-N 432.542 1.775 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1165489237 KITOOZQLAAPFAI-FQEVSTJZSA-N 429.498 1.385 30 10 IDEE Cn1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(Br)n1 1176716314 HGQZYRRRDQYBEY-UHFFFAOYSA-N 426.296 1.640 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1201297342 FHLPDPZYDPQWGO-UHFFFAOYSA-N 426.448 1.734 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)cc2C1=O 1272586310 JJQSVGBGGFNBEU-KGLIPLIRSA-N 435.402 1.951 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286321293 LSJULPLRQRRIEL-LJQANCHMSA-N 438.580 1.615 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1286324785 RHPPBBHLADNSMZ-QZTJIDSGSA-N 439.582 1.420 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1286446371 DVLWABKQIXWUDK-KRWDZBQOSA-N 437.541 1.445 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CN(CC)CC)c2)CC1 1286478426 BLUKZISUDMIWED-QFIPXVFZSA-N 449.603 1.875 30 10 IDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1286500417 TTWXXPUWPNZWFQ-UHFFFAOYSA-N 431.518 1.274 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNC(=O)C(C)C 1286549489 WEXBTENZQLLPLF-ZWKOTPCHSA-N 432.569 1.704 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1286607763 KAYVJWPOPOFQBB-AEFFLSMTSA-N 436.534 1.944 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1286628427 HMNLGDRHMWBJDO-HNNXBMFYSA-N 431.990 1.480 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@H]2C)CC1 1286646217 NPKPCCLQDBAMCE-QZTJIDSGSA-N 438.598 1.252 30 10 IDEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1286767693 DMRBXRCBMWUDKF-NRFANRHFSA-N 445.545 1.615 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)OC)CC1 1286791470 SZNOYSDWHNVLIQ-GOSISDBHSA-N 441.488 1.482 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC)C1 1297787071 GJTRLFRZJOKGOU-SFHVURJKSA-N 448.549 1.283 30 10 IDEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1298377036 HTGDIRRJBNUROK-FQEVSTJZSA-N 427.486 1.596 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300404401 VVWVRWDVCJRZIU-GHTZIAJQSA-N 438.580 1.471 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1300491752 IMZFCUNEWYJZSW-SFHVURJKSA-N 446.577 1.512 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1300643600 SACWGEUTIMSALQ-HNNXBMFYSA-N 445.524 1.449 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ncn(C)n2)C1 1301545317 FJFSYLIHEVQVHA-INIZCTEOSA-N 425.493 1.920 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1302095935 GHOKVEKIANSELW-BZUAXINKSA-N 446.474 1.615 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1303045681 FYPGLYBSQFNRIQ-KRWDZBQOSA-N 438.546 1.692 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)[C@H]4C[C@@H]43)CC2)o1 1308130952 UJWGDDCDYYFJBE-IRXDYDNUSA-N 430.509 1.197 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(OC(C)C)ccc3ccccc23)CC1 1312466094 GLEGGOQYTSIGBZ-UHFFFAOYSA-N 444.557 1.922 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1314774064 HKVNBOBCKAICLX-UHFFFAOYSA-N 446.558 1.971 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1 1314926452 ICMQGXQMAGVZMM-HSZRJFAPSA-N 448.531 1.264 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 1318153665 KYVVFSMFMBSUMJ-NRFANRHFSA-N 442.497 1.136 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1358929741 HBUQIQOJJJIPFQ-ZWKOTPCHSA-N 432.550 1.004 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCCC)CC1 1359035272 PPIXALJFYYZJPD-PMACEKPBSA-N 427.597 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCC2CCOCC2)CC1 1359043981 PXLAFRUTOIVUGA-UHFFFAOYSA-N 437.548 1.908 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1359076481 CSHOOSHHCIINGP-CYBMUJFWSA-N 449.419 1.717 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1359106945 XUHLQBMCKNYNGI-VMXHOPILSA-N 433.553 1.650 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359208556 OQBWHQVXDDTWRC-ZIAGYGMSSA-N 438.520 1.927 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCn2ccnc21 1360671987 KFEOWPXVPAVDTI-HOCLYGCPSA-N 432.554 1.402 30 10 IDEE COc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)cc1OC 1457212160 HXWGKTSHIHOOCI-FQEVSTJZSA-N 445.497 1.454 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] 1468987058 QUMUJESHBZKTCB-HNNXBMFYSA-N 440.460 1.931 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1469612243 SYWNGFCFVROZRL-RJGXRXQPSA-N 447.539 1.832 30 10 IDEE C#C[C@@H](NC(=O)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(C)C)C1CCOCC1 1470864308 GRXZXNAIRNGLSG-TZIWHRDSSA-N 431.533 1.303 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1471052609 AXKXULBDDAZFDC-PEELUZDISA-N 430.486 1.251 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1 1473791574 HAZVLRFXBPAZFP-HXUWFJFHSA-N 439.560 1.336 30 10 IDEE C[C@H]1COCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1494589617 FLGVAMRCTAVNGG-HLAUDOPJSA-N 428.518 1.682 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1503258761 DVEWFKCEBAKYIC-HOTGVXAUSA-N 433.534 1.777 30 10 IDEE CS(=O)(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1505145853 AHPNSICALFZCPG-IBGZPJMESA-N 436.513 1.281 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1507555939 BWYDRLLAMDIWBL-MRXNPFEDSA-N 441.623 1.794 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1507564073 MLDPACLOUYNLPK-ZWKOTPCHSA-N 439.582 1.420 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@H]1COCCO1 1507616264 HTQLQOFWCZASNZ-IRXDYDNUSA-N 435.525 1.461 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1507617083 QPUUBBDPHYYQCG-IBGZPJMESA-N 447.536 1.745 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507630804 HWCTVKGRWPUFPG-KRWDZBQOSA-N 447.561 1.486 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1507632729 PIJAJZHPJMDAOX-SJORKVTESA-N 440.591 1.163 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507634635 ZZYJTIHGFHPDDJ-AZUAARDMSA-N 443.573 1.523 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCSC2)CC1 1507732472 NROKOJOULWKXFW-QFIPXVFZSA-N 443.573 1.489 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ncn(C)n2)CC1 1507740902 QPUMZESUWHMCPJ-UHFFFAOYSA-N 448.531 1.308 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](COCCOC)C1 1507782130 UJALDQRADJFDDE-UONOGXRCSA-N 428.331 1.627 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1508078196 WZOHPLBPBBNTQK-FQEVSTJZSA-N 446.515 1.529 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](SC)C1 1508092672 SKCANXBDNXJFON-CABCVRRESA-N 427.596 1.204 30 10 IDEE CC(C)SCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1509891720 TYUOCFWMQPGWHH-QGZVFWFLSA-N 440.577 1.964 30 10 IDEE C#Cc1ccc([C@@H](OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C(F)(F)F)cc1 1525703820 FYWTYUDNKITOFK-WMLDXEAASA-N 442.415 1.980 30 10 IDEE CC(=O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)nn1 1526183625 HCRLLBBFCSAOAA-PYCFMQQDSA-N 432.506 1.712 30 10 IDEE COC(=O)[C@@](C)(CCF)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1528818048 MIPDMXGSADPARS-LJQANCHMSA-N 425.482 1.366 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1539017315 ZJQVIMQRBUMZGH-ZFWWWQNUSA-N 438.579 1.136 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1539089081 HDRKGZOYHMUHKM-UHFFFAOYSA-N 435.937 1.510 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1539196539 QMCANQNEFPGHJA-HNNXBMFYSA-N 437.566 1.997 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC1(O)CCOCC1 1539406166 VLEDJQDQBZYSNH-UHFFFAOYSA-N 428.489 1.691 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1539453399 JUWFUKRSUZQKGY-RBBKRZOGSA-N 439.560 1.684 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(N(C)C)CCOCC2)CC1 1539466955 KDRJDEGXCGKFGZ-UHFFFAOYSA-N 430.597 1.652 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1540071762 HTBYTAGADBQTEG-KGLIPLIRSA-N 437.488 1.066 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1540187923 XYWKOCMGKBPKMW-CQSZACIVSA-N 440.426 1.736 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 1540862121 RKYPDIRYWCKXHM-OALUTQOASA-N 445.612 1.809 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)s1 1570507781 PMXURPAPUFIXKX-IJEWVQPXSA-N 441.575 1.738 30 10 IDEE N#C[C@]12CN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)C[C@H]1CS(=O)(=O)C2 1585660317 JQCBILMUQYFMKF-VBKZILBWSA-N 429.454 1.307 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1587639176 KPUSDHIWIOYRCM-KXBFYZLASA-N 445.545 1.147 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1CCCO 1587667985 PYQSNZOQSADVDQ-DLBZAZTESA-N 430.578 1.574 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1588128554 OJOZHTNSJSGKAM-IAGOWNOFSA-N 428.537 1.948 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595593912 JXBBWOXSOUNQCP-SGXKBVARSA-N 433.553 1.625 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1595798046 LWYLKEFGBRISGI-KRWDZBQOSA-N 433.534 1.118 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C(=O)OC 1596794813 JEALBJXGCMKVEM-ZDUSSCGKSA-N 433.324 1.937 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ncc(OC)c(O)n3)CCCC2)cc1 1597935909 BJQKKMGJYILDJG-UHFFFAOYSA-N 430.486 1.302 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C(=O)N3CCC(O)CC3)c2)c1 1598384541 WMFKAAKISPXPPL-UHFFFAOYSA-N 445.472 1.972 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1611766978 FKKNPRZHJKQGBV-UTKZUKDTSA-N 444.561 1.802 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CCO1 1614222649 FWBGJISVQQSPPU-RTBURBONSA-N 444.561 1.856 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1615213653 RUBQPRZNWYFSLC-GOSISDBHSA-N 433.534 1.229 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1617431301 CNVWBJHERWONID-ZOKDDAQRSA-N 429.550 1.144 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1618236903 SUGHTZGDXZGTNG-LSDHHAIUSA-N 432.326 1.480 30 10 IDEE COCCO[C@H]1C[C@@H](CO)CN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1618521404 MCEVXEHNBWOYPR-CJNGLKHVSA-N 427.295 1.572 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1619836361 GMKBQRBTGCYVPG-SFHVURJKSA-N 438.598 1.279 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H](C(N)=O)[C@H](c4ccccc4)C3)C2=O)cc1 1626552097 TUWCSMHLIVFHMB-ZCNNSNEGSA-N 445.479 1.491 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(S(C)(=O)=O)c2)s1 1627594606 NWNOXHUCDJUNPG-UHFFFAOYSA-N 428.557 1.475 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCN3CCOCC3)CC(=O)OC)n[nH]2)c1C 1628164614 IEQZDIPYZQVQDP-UHFFFAOYSA-N 430.509 1.023 30 10 IDEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1629760858 WBBNILRIMVSNFQ-QZTJIDSGSA-N 427.526 1.991 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(COC)sc2-c2ccccc2)CC1 1632960897 PSEZPZKJRIREOG-UHFFFAOYSA-N 434.543 1.182 30 10 IDEE COc1nsc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1Br 1633515026 OMUMGJQNZWMBFT-UHFFFAOYSA-N 445.320 1.381 30 10 IDEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1635115848 HPANXHSLRURUBC-CQSZACIVSA-N 445.501 1.215 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C[C@@H]2CC[C@H](C1)O2 1635678418 JLVGXLTWCWIMSW-CALCHBBNSA-N 434.562 1.265 30 10 IDEE C#CC1(F)CN(C(=O)[C@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1636906724 ITVPMCHDKMRGIO-FQEVSTJZSA-N 435.455 1.953 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1639036383 BZXUJQXYELPDKK-GUXCAODWSA-N 440.566 1.603 30 10 IDEE CS(=O)(=O)CC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1641344701 SFFRQRINVADAMU-QGZVFWFLSA-N 432.502 1.046 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(=O)N(C)CC3)nnc12 1641740236 FLQKFIGWMWCBGL-UHFFFAOYSA-N 426.502 1.013 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)n(Cc2ccco2)c1C 1644411443 GCUONUYFWNMCNU-IAGOWNOFSA-N 430.530 1.923 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCCOC(C)(C)C)CC1 1644500119 GMSVFAGLYULDHA-KRWDZBQOSA-N 436.578 1.574 30 10 IDEE Cc1ccc(NC(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 1654885827 SPZIRBSGEHTQAX-DCGLDWPTSA-N 426.336 1.955 30 10 IDEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1655634457 RZSNATYNIXWQGF-UHFFFAOYSA-N 449.573 1.125 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(C#N)cn1CC 1662770592 FHRJYPXFOGLHFW-UHFFFAOYSA-N 444.536 1.718 30 10 IDEE Cn1cc(Br)c(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1681433542 HIKJYINFIWVBKF-ZWNOBZJWSA-N 427.303 1.741 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1689893067 SWUQPHCHVQWQPJ-GOSISDBHSA-N 435.594 1.678 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1689930511 SRBCUCNKMIIKQW-AVRDEDQJSA-N 428.558 2.000 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1690019301 FLLSHFGTRVMMQI-FQEVSTJZSA-N 441.557 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(C)COCCO2)CC1 1690142531 PTBCDWRXJASFSI-QFIPXVFZSA-N 426.521 1.055 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690285991 VXLUSRMKJWNPBF-CTWPCTMYSA-N 443.596 1.622 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690465067 QUFBYNIVOJVUKC-SJORKVTESA-N 441.598 1.971 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690672250 MLUKCMKOTVVTFR-MRXNPFEDSA-N 438.598 1.173 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(N)=O)C1 1690681106 GNTHZDYBPDTZCO-QGZVFWFLSA-N 447.499 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690725183 IAJKFCWJBLXNGX-UHFFFAOYSA-N 437.488 1.336 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1698493859 YQOCFZDLJZFMTB-FQEVSTJZSA-N 447.499 1.518 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC)c1 1705506804 IYBBSHYHYHMSRU-QGZVFWFLSA-N 445.545 1.273 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1705737314 OEUOOFFXIZJASN-SFHVURJKSA-N 441.598 1.974 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(OC)C2CC2)CC1 1705768929 DGUUIHSNKUFYKS-PXNSSMCTSA-N 439.582 1.583 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705828374 LQHXHWYLCMGVKW-OAQYLSRUSA-N 440.508 1.142 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705873371 GVGATMFBSCAGJU-OAHLLOKOSA-N 432.525 1.701 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@@H]1C 1705877616 BOSULOAIUCJAJI-VGOFRKELSA-N 429.521 1.882 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1706204228 APYDMYQBSREWJF-UHFFFAOYSA-N 439.520 1.494 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706934557 BTMLAPKCYBOEAC-VDVXRXHMSA-N 439.520 1.829 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1=O 1712478756 HENHHYOZYFMRMD-UHFFFAOYSA-N 434.504 1.202 30 10 IDEE COCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1712615670 NKWKSGDHMFYWHI-CQSZACIVSA-N 439.314 1.438 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(C)=O 1722393468 CKPGARODWWXNJJ-UHFFFAOYSA-N 431.500 1.181 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1722503294 CCWOSQNKXPTMDF-GGPKGHCWSA-N 438.532 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722509264 WWNUFPJTTDPTKB-XFKSJGNHSA-N 430.553 1.515 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1722565940 GCXASBPGJQQNGJ-GUDVDZBRSA-N 437.610 1.836 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cc(C)on1 1722693369 LKROHPBVDKNXKC-UHFFFAOYSA-N 444.517 1.584 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722697962 APHJIWONPOAENA-UHFFFAOYSA-N 442.524 1.799 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722736681 FHGUUJHVNZWHQQ-GOSISDBHSA-N 446.577 1.754 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1ccco1)N(C)C 1723941081 FACWDFXKCKGAKO-RZQQEMMASA-N 449.581 1.914 30 10 IDEE Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726392849 AHIAKMOJPUDZTA-DVEDPGPFSA-N 445.524 1.606 30 10 IDEE CCC[C@@H]1CN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1CCOC 1727983858 LOAXMUGUDZLLEP-FTHOYRMOSA-N 431.541 1.050 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1740549682 GNCQMHNOXKDJCA-SJLPKXTDSA-N 433.553 1.909 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1740551522 UDFZNENFKBVNOE-HZPDHXFCSA-N 449.515 1.547 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1740626594 MFBQKAVIMJLMJG-JKSUJKDBSA-N 435.575 1.416 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740683793 NXRAUFYYERCCES-UHFFFAOYSA-N 448.575 1.944 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)C2CC2)CC1 1740692069 DORVRIYGWZHJJV-HXUWFJFHSA-N 447.381 1.962 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C 1740773808 DQZBIVYGXGSFQV-ROUUACIJSA-N 440.614 1.354 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740957187 DWZKGRIJERNMDQ-UHFFFAOYSA-N 441.565 1.068 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1740960686 XXQPOZGOVSBTMS-INIZCTEOSA-N 444.511 1.559 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1741285494 WKBZWMGSDUQLHP-SFHVURJKSA-N 437.504 1.620 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1741714751 UHOWMTZWRNTNOK-QGZVFWFLSA-N 426.543 1.700 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccc(C(N)=O)c1 1744697093 HZFKHLYBFVBIAZ-INIZCTEOSA-N 445.531 1.559 30 10 IDEE CCS(=O)(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1747438481 YRKFAPILGNNXPL-GOSISDBHSA-N 432.550 1.121 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1748863850 JBJIGEDBDRZWSI-SJORKVTESA-N 429.546 1.453 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1748905474 FGMMDISWJMNRCM-INIZCTEOSA-N 441.561 1.797 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 1748998985 DSXDQHKLPJGTGR-XMMPIXPASA-N 446.511 1.985 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1749194241 YMRWLMDVIKTHHX-ROUUACIJSA-N 441.598 1.625 30 10 IDEE C=CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749400516 DCTXELTUAKMJET-SFHVURJKSA-N 438.532 1.381 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1 1749582247 FXCUIKSUCWOUNS-IRXDYDNUSA-N 440.566 1.120 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1749611657 BEAJTEIIBVQAIR-VGOFRKELSA-N 443.504 1.516 30 10 IDEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749744500 LFFBTEDRMVGWME-SFHVURJKSA-N 436.626 1.692 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]2C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1750959325 DZQGYAUYNBMSOZ-QFPXGYFVSA-N 429.525 1.568 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(C)C)N1CCOCC1 1760110769 GXMDWQNPZDHQMC-SJLPKXTDSA-N 428.537 1.821 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760137470 KLUJBXGSWZUIAJ-ROUUACIJSA-N 436.578 1.758 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(F)c2)CC1 1760145419 OQNMQGPBHHAQQY-QGZVFWFLSA-N 448.568 1.763 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1760189788 WTJUPKTUWPWNMW-SJORKVTESA-N 449.602 1.806 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1760212357 XPOBDXWMMRVYCO-UHFFFAOYSA-N 437.529 1.347 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760239065 VKAOGAQSVGWADE-BBWFWOEESA-N 445.486 1.725 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2 1760242380 BIGXQMLLQHLGPO-UHFFFAOYSA-N 447.923 1.975 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCn2cnnn2)CC1 1760254281 SIXWVXAKMYCKNX-QGZVFWFLSA-N 439.499 1.389 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1760273601 ZUKYDRHQDSNHAJ-UHFFFAOYSA-N 432.594 1.766 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1760440022 AKFCHMPRVAWUFH-OAHLLOKOSA-N 440.595 1.979 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1760440425 JSPQXKVGWOVSRO-HOTGVXAUSA-N 427.571 1.581 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760445467 KRQPKIWXQWPSTB-QGZVFWFLSA-N 430.553 1.602 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760525439 GDEQCZLDQOXXKC-STQMWFEESA-N 440.595 1.194 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC(F)(F)F 1767087742 HCSSHLAMWWTRTF-UHFFFAOYSA-N 432.410 1.865 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C[C@H]1O 1767920028 KGMAYIXOJJTECD-JBYIUTFZSA-N 425.489 1.746 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1769221533 HHMXLPCDRLNAFX-UHFFFAOYSA-N 431.447 1.160 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1769303976 FAAHMWRCFYDEKC-UHFFFAOYSA-N 438.580 1.415 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1769441165 DBYTYNOLZFNPDU-QGZVFWFLSA-N 438.488 1.254 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1770757289 VLEAEFYOLHOIII-CABCVRRESA-N 429.493 1.734 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1771218547 QTMYHFRNPVUSER-ROUUACIJSA-N 444.536 1.674 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1771305156 UQHBCWPRMVHVNM-WPVAHCMFSA-N 448.568 1.230 30 10 IDEE C=CCOC(=O)[C@@H](NC(=O)[C@H]1COCCO1)c1ccccc1I 1850705244 KDZBSNTYXXEHPE-KGLIPLIRSA-N 431.226 1.593 30 10 IDEE N#Cc1cc(C(=O)N2C[C@H](C3CCN(C[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)ccn1 1855075887 USTBVGKEQDYGFC-MAUKXSAKSA-N 430.530 1.089 30 10 IDEE C[C@H]1C(=O)N(C(=O)COc2ccc(F)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855735684 QYJREPHFXMNNJE-AWEZNQCLSA-N 431.445 1.524 30 10 IDEE C[C@@H](CC(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1cccn1 1856381494 XWHCOODDIAZSSA-IRXDYDNUSA-N 426.546 1.713 30 10 IDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 1861266726 VIRYHMKNKVMHBF-KRWDZBQOSA-N 430.892 1.216 30 10 IDEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(O)c(OC)c2)c1 1862708150 NABXACSZQMNSFS-GOSISDBHSA-N 429.425 1.989 30 10 IDEE COc1cc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862761633 OLNNXDPSTGBNCG-KRWDZBQOSA-N 444.396 1.888 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1c(OC)ccc2ccccc12 1865722293 ODXPCCKLAQZMIE-QGZVFWFLSA-N 448.479 1.243 30 10 IDEE O=C([C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21)N1CCOCC1 1869927964 JSHPZQBBZZUYKV-LJQANCHMSA-N 438.509 1.677 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871544593 YECXVAVXGKUTFA-UHFFFAOYSA-N 430.509 1.075 30 10 IDEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c(O)c1 1874289502 HXSDXUVCWAYMIL-ZVBGSRNCSA-N 429.458 1.737 30 10 IDEE C=CCNC(=O)[C@@H](C)S(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882498211 ULMGOOIXARVOPG-UKRRQHHQSA-N 426.491 1.250 30 10 IDEE Cc1cc(C#CCN)sc1CN(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2156996356 KCCWREXWBMFQHT-UHFFFAOYSA-N 445.566 1.815 30 10 IDEE Cc1csc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1C#CCN 2157018699 NXDAXGHETVNCNR-UHFFFAOYSA-N 445.566 1.863 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255624796 IKAZSODKMRBTLT-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE CCn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653827 OKOJPQGOGAORCU-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255709437 WJSSSGYMOWXEST-OAQYLSRUSA-N 435.330 1.416 30 10 IDEE CC(C)[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255824597 KPZKPDWFHDRFDB-HNNXBMFYSA-N 436.362 1.998 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 2267266398 PGGWHJFBEIULDD-MRXNPFEDSA-N 449.357 1.690 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2267607538 OSDBXGHAVXRCLC-OKILXGFUSA-N 449.361 1.584 30 10 IDEE C=CCn1c(C)nn(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=S 16835688 KTJKOXCJZFPKHF-UHFFFAOYSA-N 438.535 1.781 30 10 IDEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1)c1ccncc1 21082427 COSLBJFIOSGMQE-YSURURNPSA-N 436.457 1.650 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 21610540 LCUJSGQFSPRIBA-UHFFFAOYSA-N 434.474 1.336 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)cn1 59830131 UJQBZJCTNSWUPI-ZVBGSRNCSA-N 441.521 1.868 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cccc1Br 318690481 CFCSIBVSSZLBMU-JTQLQIEISA-N 426.741 1.914 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2ccccc2)CC1 460611917 GRIUORUOSLPZDI-UHFFFAOYSA-N 429.484 1.730 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cc(C#N)ccn3)CC2=O)cc1 477418381 VTQMAOQBBJOEPO-INIZCTEOSA-N 441.513 1.975 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1C#N 494104535 DNFRIEVHALYIHI-GOSISDBHSA-N 437.525 1.944 30 10 IDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Br)cc2S(C)(=O)=O)CC1 505007923 DEZRDKWVHPUUOI-UHFFFAOYSA-N 428.308 1.943 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C[C@@H]1CCCO1 512725336 MFWYOIHDJBQRNO-HNNXBMFYSA-N 447.919 1.663 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 516374030 CWKIAIBXYNCCAW-OAQYLSRUSA-N 448.527 1.894 30 10 IDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 533608681 ZFHNFDDTLYKXLD-SNVBAGLBSA-N 427.324 1.952 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCSCC(F)(F)F)CC1 539884533 RXVCIJIYWSEAFG-UHFFFAOYSA-N 436.481 1.870 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)c(F)c3)n2C[C@@H]2CCOC2)CC1 549662863 PGQJTDNZSCFMGI-SFHVURJKSA-N 442.539 1.853 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(CCOC)C(=O)C1 569292331 KDSUBBDXDVSDOX-UHFFFAOYSA-N 433.534 1.220 30 10 IDEE N#Cc1cc([N+](=O)[O-])c(N2CCO[C@]3(CCOC3)C2)cc1N1CCO[C@@]2(CCOC2)C1 569876114 MXYUGXFRCHLBMI-LEWJYISDSA-N 430.461 1.458 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 574968774 FJSYEQITTCXGIE-GOSISDBHSA-N 435.550 1.298 30 10 IDEE N#CC1(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCCC1 585704885 BIHLBQXSIHBJHC-UHFFFAOYSA-N 432.502 1.722 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@H]1CCCO1 603800441 WBDYPLHZXZDLIR-OAHLLOKOSA-N 431.583 1.878 30 10 IDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 615306987 BJZKOQMCZOLEFU-GOSISDBHSA-N 436.859 1.806 30 10 IDEE C=CCN(CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 663172637 YOTFVTYMLJBWEY-OAHLLOKOSA-N 434.605 1.597 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669804364 XNIGYBIVPYRMQP-YLJYHZDGSA-N 445.612 1.761 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)c1 727370197 MIMSDRVZMRNLLQ-SFHVURJKSA-N 429.523 1.752 30 10 IDEE C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2F)C[C@@H](C)O1 732708937 WTLVTXFCMIDAJK-RKVPGOIHSA-N 429.496 1.577 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2=O)cc1 733853076 DQHYTQHPLNHZHA-KRWDZBQOSA-N 444.444 1.549 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)CCc3ccccc3)C2=O)cc1 733857064 FIMYIOJQQHFADI-SFHVURJKSA-N 440.481 1.452 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H]1CCOc2ccccc21 742144496 OHWVXGSBGFOECM-GOSISDBHSA-N 435.505 1.902 30 10 IDEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 744627162 TYQFYUFTIUUCSP-WBVHZDCISA-N 433.530 1.696 30 10 IDEE COc1ccc(COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1C#N 746976887 BTNPONKYIOUPPY-UHFFFAOYSA-N 431.470 1.408 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 753166350 BMUPTVLVASPZGT-NONRQZMLSA-N 435.525 1.849 30 10 IDEE C[C@H](NCCN/C(O)=C1/N=CC=CC1=O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 753966095 GUUXMKROIMTLNU-VHHOFFRLSA-N 428.489 1.529 30 10 IDEE C#CCN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 757905078 PYIAGCOVSMOIRK-UONOGXRCSA-N 429.325 1.995 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1 767672983 BEJPLXYPWSIZQN-KBPBESRZSA-N 433.461 1.785 30 10 IDEE Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771529396 GELGGHKCNUUKHU-HNNXBMFYSA-N 427.534 1.670 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n1 790105789 ZKJVBKLWTNSTBU-GAJHUEQPSA-N 443.548 1.628 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)c1 794617096 NDNXRFSWFMJNTN-SFHVURJKSA-N 430.485 1.972 30 10 IDEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)c1ccc(F)cc1 794895723 MKYHJVCQHCLNAZ-MOPGFXCFSA-N 446.500 1.858 30 10 IDEE C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)c1ccc(Cl)cc1 810469718 DXMWZNFCEKHAPX-QGZVFWFLSA-N 426.860 1.245 30 10 IDEE COC[C@]1(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CCN(C(=O)OC(C)(C)C)C1 810517710 LTTXGCBHZHQMPI-FQEVSTJZSA-N 437.518 1.778 30 10 IDEE C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(F)cc1 812875559 VFWCMWCYMNWISS-IBGZPJMESA-N 445.520 1.346 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 816831110 GTDTZRPDDWMWHV-QFIPXVFZSA-N 445.495 1.577 30 10 IDEE C#CCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)[C@H]1CCS(=O)(=O)C1 918756238 MGOGQFOGABGQOJ-AWEZNQCLSA-N 433.555 1.755 30 10 IDEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1-c1cccc(Cl)c1 1134275092 FZOBRZHDHHONHX-DJJJIMSYSA-N 433.921 1.884 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc(OC)c1OC 1136475727 PWDLCQCPRXSIBZ-MRXNPFEDSA-N 447.513 1.989 30 10 IDEE C#CCN(CC(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)C(=O)OC(C)(C)C 1142074826 JLHWHCPVQDKZBI-UHFFFAOYSA-N 428.533 1.812 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 1143419488 NAHSWFVCSMADLN-ZBFHGGJFSA-N 434.518 1.239 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(OC)c(I)n2)CC1 1195421235 NPVBQHSPRLEZCZ-UHFFFAOYSA-N 429.214 1.614 30 10 IDEE CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1CN(C)C 1226111052 HGRLKKXUIORAMQ-SBHAEUEKSA-N 426.565 1.434 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1286272660 DDVXTYZNSNAOIU-IAGOWNOFSA-N 446.577 1.231 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1286275814 UUVJDYQIBIUHHK-ZIAGYGMSSA-N 442.549 1.488 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CC1 1286280198 URXMJNNVBUXHRE-CQSZACIVSA-N 436.559 1.384 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286349322 HTWSCXAKGVMXPA-MRXNPFEDSA-N 437.566 1.651 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1286376092 FJLBRZJCJJDVIA-QZTJIDSGSA-N 433.534 1.068 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1286390629 CTEJDHIIIMRVFU-HXUWFJFHSA-N 436.541 1.528 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1286448140 QGYNQZBTRKGNTN-SFHVURJKSA-N 429.546 1.378 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccs2)CC1 1286480691 ZDMMAHBWCMOAKX-UHFFFAOYSA-N 435.557 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1286778711 DLUZTYBVVDCKQT-HUUCEWRRSA-N 430.484 1.526 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1286807465 PDEVVHKEPRZDRF-UGKGYDQZSA-N 446.573 1.508 30 10 IDEE CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1287465568 NHUBYPAZUDSIOW-INIZCTEOSA-N 425.537 1.779 30 10 IDEE CN1C(=O)C(=O)N(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1289424604 LPXBZYHXLPHXAK-WDSKDSINSA-N 437.243 1.036 30 10 IDEE COC(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(F)c1Cl 1289695806 FCMHIYZTBWLKCL-UHFFFAOYSA-N 425.825 1.943 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c(C)nn(CC(=O)OC)c2C)s1 1295908689 XOKVKLFUCBHUPO-UHFFFAOYSA-N 440.547 1.058 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1300321817 OAUHQDWQZCNPDF-INIZCTEOSA-N 430.534 1.514 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCC(F)F)CC1 1300700447 PMHMSABRUPPCAZ-KRWDZBQOSA-N 432.475 1.624 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)N2CCCC2)CC1 1300722065 HCKFPFSASDJOME-MOPGFXCFSA-N 441.580 1.069 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C(=O)NC 1300743675 XMLURBILNGVXIL-HNNXBMFYSA-N 449.602 1.533 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(C(N)=O)C1 1300876718 VAPKDHKDKLHMCB-GIMINZRKSA-N 432.569 1.879 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1300882515 VKIPGQSRAHYHIN-MSOLQXFVSA-N 432.550 1.403 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1300990891 NGGQFIABKXNMMX-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 1301019140 HJJUCESLZYMBBN-AWEZNQCLSA-N 438.941 1.260 30 10 IDEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1301166377 VCAMYYCUGRNOAR-RBUKOAKNSA-N 443.573 1.819 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301553631 POUSLIGJDSPWGA-IAGOWNOFSA-N 432.550 1.545 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1302093737 NACYKVZHCOLAHA-PVAVHDDUSA-N 440.495 1.603 30 10 IDEE CC(C)c1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1302659085 HACMHKOAGSLZJV-SFHVURJKSA-N 448.549 1.545 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1305590321 DVSRAGIWPZBWSV-AFNCTOJWSA-N 429.477 1.407 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 1309655044 QKCVFLXPCXJGDF-UHFFFAOYSA-N 444.575 1.587 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1358922051 RSLAKQNSAUWDQB-UHFFFAOYSA-N 448.369 1.707 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1358978335 JSBNIFYRVJVSQJ-QUCCMNQESA-N 437.569 1.704 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSCC=C)CC1 1359033381 ZVRSFTAYVHXWBD-UHFFFAOYSA-N 435.561 1.595 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)c(OC)c2)CC1 1359034157 FVKQQVZYQGRCED-UHFFFAOYSA-N 435.532 1.694 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1359070358 LCWHBGXJBIIYHY-RHSMWYFYSA-N 431.509 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359329980 BJZWVJHPTSYBRK-INIZCTEOSA-N 448.549 1.656 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1360290142 FWXLKIDVDWAXSB-UHFFFAOYSA-N 445.531 1.848 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCOCC2)CCOC1 1360329705 BZKOSSCUIXSHJA-QFIPXVFZSA-N 433.553 1.990 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1360471362 GPXDASGFCCIPHS-LHEBDHONSA-N 439.549 1.960 30 10 IDEE CC1(C)CCO[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1360819450 WZLVSFXLKWYCQS-HOCLYGCPSA-N 430.534 1.813 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3cc(C#N)cs3)c2)CC1 1463074166 AZFXXRPMSCFKCF-UHFFFAOYSA-N 446.554 1.745 30 10 IDEE C#C[C@@H](NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1)c1ccc(Br)cc1 1468947621 VMWVHZRCTBLMOZ-QGZVFWFLSA-N 435.322 1.503 30 10 IDEE C[C@@H](CC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1472207300 DXZBINDSHJNYQI-QWHCGFSZSA-N 438.506 1.171 30 10 IDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1=O 1502303616 DHANWMHDSYGYAO-SFHVURJKSA-N 435.532 1.790 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(COC)CCOCC1 1503069832 SDKDDLZKJJQLAN-UHFFFAOYSA-N 442.520 1.793 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507530380 XURAKVSEROYAAS-GOEBONIOSA-N 425.459 1.790 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1507617708 YSVVQAUMOTWWSK-KRWDZBQOSA-N 446.508 1.839 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1507623581 UNOJURMNMNDDQA-INIZCTEOSA-N 435.594 1.509 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1507711987 OHBCMFOSQXXLMD-ZULIPRJHSA-N 439.560 1.760 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@]2(C)COCCO2)n1 1507716124 GZIQQOKXQAWFCJ-PGRDOPGGSA-N 444.536 1.070 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CC1 1507729559 IERVSZIMLDNILR-LJQANCHMSA-N 449.621 1.675 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507731753 CEKWJVVUNXWIQY-UNMCSNQZSA-N 439.560 1.972 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507760655 CNQSKRJYDXUGPC-SXSPYAJSSA-N 445.564 1.417 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCOCC2)CCOC1 1509807504 QOKZLSDIFUSMBO-QFIPXVFZSA-N 433.553 1.990 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1Cc1ccc(C#N)o1 1513370764 JOOFJXKLFOTLHP-CVEARBPZSA-N 428.449 1.824 30 10 IDEE CN(C)C(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1516968765 FQCDFEQAHDSBBJ-UHFFFAOYSA-N 429.912 1.690 30 10 IDEE CN(C)c1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1516994415 AADSCDOAJNOSIK-IEBWSBKVSA-N 444.561 1.218 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1519393866 NNUNZPXYLPDWRO-ZWKOTPCHSA-N 427.461 1.984 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H]1c1ccnn1C 1528577239 ZHENTUXSSHQUDO-UXHICEINSA-N 437.435 1.544 30 10 IDEE COc1ccc(-c2noc(CCCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1536180984 ZHJJCDBKVMKOIF-YWZLYKJASA-N 430.486 1.465 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N(C)C 1538985765 DBJYVACLMIHRQQ-ZDUSSCGKSA-N 425.942 1.956 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1539120530 XFLGTPQDXULPRV-NRFANRHFSA-N 436.560 1.634 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1539123999 BADBILOJTFNISL-ZWKOTPCHSA-N 449.552 1.852 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1539126624 ZBEDIGMFDFFVSO-GOSISDBHSA-N 446.552 1.668 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1539206899 WRHGJWYLCSVDCO-IBGZPJMESA-N 428.562 1.647 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1539324282 SJKWRNNARDURKQ-REWPJTCUSA-N 443.617 1.843 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1COCCO1 1539400569 HODCFNVZNKIYGK-HNNXBMFYSA-N 438.326 1.927 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1539431263 SLLCNMLOHUWUGD-HYBUGGRVSA-N 444.624 1.806 30 10 IDEE Cc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543299346 RFUXJLULUWGISC-FMQUCBEESA-N 435.488 1.075 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C)cc3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546528819 DEZJJOKIRGTRCA-QURGRASLSA-N 449.515 1.529 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1=O 1556383010 CUPBNTFZMQDYRK-SFHVURJKSA-N 443.548 1.998 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1557539675 QHFJMJRJIPWDBD-VGSWGCGISA-N 438.569 1.696 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1568492092 BDLDFKSPLPQDAJ-SFHVURJKSA-N 447.967 1.858 30 10 IDEE CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1cc(C#N)ccn1 1585244830 UAKKWGMAJDJHNX-HNNXBMFYSA-N 429.458 1.925 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1588053978 JKCUPBHOXPWSKJ-UXHICEINSA-N 444.557 1.687 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1588110205 ZOXLKZILZNXDQA-XMMPIXPASA-N 437.544 1.880 30 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N#Cc1ccc(C2CCN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1 1640995409 MEVGFTGDBPFVCO-LJQANCHMSA-N 448.932 1.652 30 10 IDEE C#CCN1CCC(NC(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 1644947366 CCWNDPQYEVBMDC-UHFFFAOYSA-N 435.265 1.960 30 10 IDEE CSc1nc(O)c(C(=O)Nc2c[nH]cc(I)c2=O)cc1C#N 1645561900 WTHVKWUVNPCNFC-UHFFFAOYSA-N 428.211 1.926 30 10 IDEE C[C@@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)N1C(=O)NC2(CCCC2)C1=O 1654811613 KDYXRKKHSXPLGJ-ZDUSSCGKSA-N 428.445 1.144 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 1656284644 QDAMSNSPPOEQJW-NRFANRHFSA-N 447.605 1.206 30 10 IDEE C#CCN(C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1686512656 CQAYQUMFAGNESF-OAQYLSRUSA-N 446.573 1.441 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689982022 GKEPBXPEOOFRIA-QGZVFWFLSA-N 432.546 1.741 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(F)(F)F)CC1 1690120133 IEMATGMCMAYCJW-UHFFFAOYSA-N 441.483 1.556 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1690128349 BFTVAUFOKHOTOI-YTTGMZPUSA-N 448.596 1.946 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1690174587 FGBGCNFUOVDGAI-SJORKVTESA-N 426.608 1.798 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690672052 GMFSPIWNIQJCCP-HTAPYJJXSA-N 440.504 1.055 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690723937 DVCASFZISCPKBZ-ZWOKBUDYSA-N 440.566 1.505 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1692584092 KTLQCBDBQSPCTK-QZTJIDSGSA-N 430.431 1.142 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(N3CCOCC3)CC2)CCOC1 1692585813 MVNKSKQYEZDZIJ-PGRDOPGGSA-N 432.569 1.922 30 10 IDEE Cc1ccccc1-c1nnc(N2CCC(C(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693243026 XSAHRWXEOFNORH-QOCHGBHMSA-N 449.515 1.482 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1705495184 LRLBHENIAPDWKL-SOUVJXGZSA-N 443.520 1.504 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1705550284 WNADSCZGXYZNNK-UHFFFAOYSA-N 433.516 1.832 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCOCC1 1705600451 ZBXRJECPIBNCRR-NRFANRHFSA-N 445.571 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)CC1 1705639587 RQSHLKQVQMYIFH-FQEVSTJZSA-N 427.574 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(N)=O)cc2)CC1 1705647902 LDDVKBUGOKTIMN-UHFFFAOYSA-N 436.560 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)CCOC)CC1 1705648976 FQQZBMZORBQHTD-JOCHJYFZSA-N 426.521 1.093 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1705893799 GVBMPKUDIGQSNQ-LJQANCHMSA-N 438.532 1.864 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1705931254 KICKETPVVCMHTA-KRWDZBQOSA-N 433.534 1.269 30 10 IDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1706636915 IAMJGFMGBSZAPR-INIZCTEOSA-N 439.520 1.310 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCN1CCOCC1 1709142244 VEQAVFSHRXIQCR-GOSISDBHSA-N 439.568 1.330 30 10 IDEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1711019711 HOOIHQJJRLWOOK-GOSISDBHSA-N 430.534 1.496 30 10 IDEE CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1711403685 CHWURJQGSGLPEW-FQEVSTJZSA-N 431.500 1.850 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1712524477 DGPAKWDFWDHXRC-HTAPYJJXSA-N 444.536 1.816 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1712878320 CCUXAARWSMRHGN-SJORKVTESA-N 428.518 1.096 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1722275635 CTEQRAHFFZXHJG-PEBXRYMYSA-N 427.505 1.907 30 10 IDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722314251 IXTKSHMPPODPMS-UHFFFAOYSA-N 445.527 1.547 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1722370481 LQQPZCGONHEEHE-IBGZPJMESA-N 438.532 1.464 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCCOC)CC1 1722436729 LGSPVFAMHDXVNF-HXUWFJFHSA-N 440.548 1.396 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)c(C)c2)CC1 1722440814 KVTUWLQYRRMUSW-UHFFFAOYSA-N 440.523 1.878 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[S@](=O)CC)CC1 1722442283 RFYZHDKKTCVVCQ-SSEXGKCCSA-N 429.590 1.998 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C 1722482036 DSCXUIXMDRNJBE-CYBMUJFWSA-N 448.387 1.297 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]1c1nncn1C 1722701888 HHCMFEBIJBJJFI-SFHVURJKSA-N 436.520 1.938 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 1722795249 FPASVRZAGYPTNC-QZTJIDSGSA-N 437.548 1.594 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1728937175 AWSTXDVCUFMKEG-IMHYJWESSA-N 438.532 1.839 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1 1729595587 GBDVTXVWYQVYEG-OAQYLSRUSA-N 440.939 1.907 30 10 IDEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1730702021 OVQADNUZPVUVAM-QGZVFWFLSA-N 427.484 1.603 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 1730762158 AUJWSSRDCROBEI-IBGZPJMESA-N 433.601 1.912 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCCCO)CCO1 1731189584 MMQPJPXWJUPOFX-QAPCUYQASA-N 431.518 1.635 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(=O)NC(C)C)c1 1740562288 HRYMFIPEMNDVTE-UHFFFAOYSA-N 446.515 1.706 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1740669118 NBCAISUZICQDCF-UHFFFAOYSA-N 426.493 1.979 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1740671923 RRQKZIYQQAETOC-KRWDZBQOSA-N 434.541 1.572 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CCOCC1(C)C 1740686020 DDDHLBQOSIPHMM-UHFFFAOYSA-N 432.594 1.831 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(OC)CCCC2)CC1 1740704735 SWIKPHZUNFOGNT-UHFFFAOYSA-N 425.537 1.604 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740724168 YHLBXFLIAQWABW-INIZCTEOSA-N 443.529 1.873 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740841174 JAQJXQJJDJJOAX-LJQANCHMSA-N 429.613 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)cs1 1740951546 IHDKSKAJFCSBKD-CYBMUJFWSA-N 426.568 1.197 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1 1740956897 USGZAJSIFPYZKV-UHFFFAOYSA-N 446.939 1.632 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3cccnc3)nnc2N(CCC#N)CC2CC2)CC1 1741057015 FYSAKXCBCUZBGB-UHFFFAOYSA-N 436.564 1.558 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1741073374 BBUKJROCAMLXCU-WIYYLYMNSA-N 426.546 1.790 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1743030641 HWWLEJANZSJYAF-UZFJHSOTSA-N 438.532 1.982 30 10 IDEE CCc1nnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744583099 JOHXTLNWSHDRCJ-APOCOGJHSA-N 430.509 1.141 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2C[C@H]2C)c1 1748692811 OYKCJQACRIFUDJ-NXHRZFHOSA-N 441.557 1.892 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1748750250 BGZPWRWJYYGOFW-VXKWHMMOSA-N 444.624 1.817 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1748859042 BFRNTHHDJOBSLZ-KRWDZBQOSA-N 430.505 1.894 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)CN2CCCCC2)CC1 1749001260 OGVOIJPZMBWHKQ-FSSWDIPSSA-N 444.624 1.879 30 10 IDEE COCC(C)(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1749264708 IAEVYROANMSVJE-KDOFPFPSSA-N 430.550 1.783 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)OC 1749326415 DDVMKFFXNLSELU-QMMLZNLJSA-N 440.548 1.635 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1749368905 SZYMAIMMVLOAAZ-HZPDHXFCSA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCC2)CC1 1749655158 DPLMHSORYHDAPW-UHFFFAOYSA-N 440.548 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](CC)C1 1749655317 HNISGBIMEDTLNO-MRXNPFEDSA-N 446.577 1.734 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)C1 1749655915 UASSLJSPWPMSHE-UHFFFAOYSA-N 441.492 1.460 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](F)COC 1749967179 PSOYRJOLSSFXTE-CZUORRHYSA-N 434.472 1.522 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1752429396 HFZRMSZUYIEKTF-KUHUBIRLSA-N 433.559 1.308 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCO[C@H]2C)c1 1760128130 ZMBZWKICNBKKMZ-QUZZAMIASA-N 439.516 1.726 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCN(C(C)=O)CC1 1760147633 WEPJCYJYMGLFQF-UHFFFAOYSA-N 429.546 1.821 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCn1cc(CO)nn1 1760166053 OWWXXHXQZFFHKR-UHFFFAOYSA-N 430.310 1.951 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1760175401 IXPSCMJXJRWDOR-LJQANCHMSA-N 447.561 1.516 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1760186179 BJMSXHGYHNHNGE-LSDHHAIUSA-N 436.563 1.007 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1760190841 VAKNQXHCOJHNRB-VAMGGRTRSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ncn(C)n1 1760197219 RYZBRXCMGPCJAV-UHFFFAOYSA-N 440.305 1.966 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)[C@H](C)CCC)CC1 1760262847 DOVLLLFVGVNWAN-QGZVFWFLSA-N 443.621 1.941 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@@H]2C)CC1 1760265193 RASWKYOVAWLERJ-PKOBYXMFSA-N 442.564 1.153 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2csc(CC)n2)CC1 1760270381 WDMYYBJAHHIMRZ-INIZCTEOSA-N 428.562 1.815 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1760374079 IBCHEAXVGITVGS-HOCLYGCPSA-N 441.941 1.950 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1F 1760515891 HONOMVOBVZCBOB-ZIAGYGMSSA-N 438.529 1.527 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1760520814 AGWDGHCEKVZJKQ-ROUUACIJSA-N 426.521 1.400 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1760527153 NUOZEKXLUVFWLE-SFHVURJKSA-N 442.495 1.420 30 10 IDEE CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1760681348 XRISEIURHKJMKC-OAQYLSRUSA-N 441.515 1.420 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOCC(F)F 1761479473 PESDKEAPWUNHFE-ZDUSSCGKSA-N 434.513 1.690 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)CCOC 1761880871 LGWLSNUNVPFZCU-GOSISDBHSA-N 426.569 1.963 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1763926703 DNXVYXJTNCMWBM-ZYSHUDEJSA-N 435.532 1.836 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1769044355 CUUJLZLPCGOGRG-SFHVURJKSA-N 437.479 1.510 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1769094414 HEVSZAUCHSPLSD-AWEZNQCLSA-N 432.550 1.458 30 10 IDEE COCC(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1769159013 JANYESMNLUVYEG-OAHLLOKOSA-N 428.493 1.416 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1770767332 BXBVNNRQCGIAOW-LJQANCHMSA-N 448.531 1.903 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC[C@H]2CCOC2)c1 1771530892 WOZPIOMMIBEDQR-GOSISDBHSA-N 438.532 1.962 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCCN2CCC[C@H]2CO)cc1 1771532414 ZQSQGDZYZYPIJV-UXHICEINSA-N 437.548 1.365 30 10 IDEE COCc1c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)nnn1-c1ccc2c(c1)OCO2 1850559736 MRFYSHDMNBYIGG-UHFFFAOYSA-N 446.467 1.976 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3C[C@@H]3C(=O)N3CCc4ccccc43)CC2)nc1 1851221103 HJEVYXKRYQBOPY-SFTDATJTSA-N 445.523 1.844 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2=O)CC1=O 1855955835 PSUXKHVUDYMRJX-ZIAGYGMSSA-N 439.921 1.123 30 10 IDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](N(C)CCC#N)C3=O)cc2)CC1 1856532742 CGYAUWBVHJRGEA-IBGZPJMESA-N 432.546 1.694 30 10 IDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857025890 CFAAITYTNGOLEU-GOEBONIOSA-N 437.493 1.533 30 10 IDEE COc1ccc(Cl)cc1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857042169 SSWJWTFSGIDPEL-CQSZACIVSA-N 439.921 1.903 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)c1 1858338673 IBGAWJCHCVJSFZ-QGZVFWFLSA-N 433.511 1.502 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858976216 KLSPXADBMKANRE-UHFFFAOYSA-N 446.485 1.670 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](CCC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862130549 DNJFTHKISHJIAY-KRWDZBQOSA-N 447.532 1.928 30 10 IDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870558807 MLTARPPGMYBIOP-UHFFFAOYSA-N 449.555 1.590 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891275496 XUDVZSUKCFMWME-OAHLLOKOSA-N 430.486 1.540 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1[C@H]2OCCC[C@H]2[C@H]1NC(=O)OC(C)(C)C 2006263279 OVBPNPVDMSJFLX-LOWDOPEQSA-N 425.345 1.885 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC(O)C1 2022889413 GIDYZHPWAIFUAT-UMRPUCSYSA-N 438.525 1.624 30 10 IDEE CC1(C)OB(c2cc(NS(=O)(=O)N3CC(OCc4ccccc4)C3)ccn2)OC1(C)C 2043682915 KMJXYCZDVPEVOL-UHFFFAOYSA-N 445.350 1.939 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085655855 BORAFRFMOHQWTH-CABCVRRESA-N 433.314 1.859 30 10 IDEE C=CCn1ncc(N[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2133756384 WFXUYKDQKRAQMP-KRWDZBQOSA-N 429.315 1.976 30 10 IDEE CCO[C@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2164487532 NLCMZHRJZNNGKG-LPHOPBHVSA-N 441.481 1.282 30 10 IDEE N#C[C@@H]1CCCN(S(=O)(=O)N=c2[nH]cc(Br)nc2Br)C1 2164605157 YZNDJZQDXXKJSV-ZETCQYMHSA-N 425.106 1.316 30 10 IDEE C#CC(CC)(CC)NC(=O)C[S@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195298224 LQPHNTCTCDTISW-NOVUIFNWSA-N 436.530 1.813 30 10 IDEE Cn1cc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2243384579 SAXMFKCGCARSDV-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCONC(=O)OC(C)(C)C 2243419342 WUVTWRSUSXEIMY-UHFFFAOYSA-N 427.332 1.937 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248420335 RXACDOGIEHRIQX-WDEREUQCSA-N 442.322 1.403 30 10 IDEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255541810 IJERMZCDHIXRTE-ZDUSSCGKSA-N 434.346 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2255823694 XSGJKFCLNODWDE-CQSZACIVSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2256055758 CVKRXOJHLKQTCT-ASSNKEHSSA-N 430.314 1.515 30 10 IDEE C[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2256621884 AABFUDGMEQZVKL-HNNXBMFYSA-N 435.330 1.205 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267113516 UZHIJNQUFUOLPH-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164387 QWDIZCROHGQRQD-JLCFBVMHSA-N 444.341 1.905 30 10 IDEE Cc1nc(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268642314 FBFYOFWXIVXUMM-HNNXBMFYSA-N 449.361 1.478 30 10 IDEE CC(C)C1(C#N)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2286027540 QXVHHNWDUIYUQQ-KRWDZBQOSA-N 437.518 1.958 30 10 IDEE CS(=O)(=O)N(CCC#N)Cc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 2313656665 USTLVXNAAHOQKT-UHFFFAOYSA-N 446.441 1.210 30 10 IDEE COc1[nH]c(=N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317504030 UWLFSSZTSKECBL-CABCVRRESA-N 435.330 1.515 30 10 IDEE Cn1nc(C(=O)N[C@H](CCO)COCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2320442218 DGIQNISXNMXEAH-QGZVFWFLSA-N 429.326 1.417 30 10 IDEE CCN(CC)c1ccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254491363 JJEVRHORUMNGOE-HOTGVXAUSA-N 439.559 1.999 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc21 427035847 OXXPOFVFBMHPRN-UHFFFAOYSA-N 429.480 1.693 30 10 IDEE C[C@H]1CN(CCCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 443667343 HKZXIBSGCVGLGU-FUHIMQAGSA-N 441.532 1.769 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)CC1 468880124 GDVCCTZZKCEWHX-OAHLLOKOSA-N 445.969 1.362 30 10 IDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCN(c2ncccc2C#N)CC1 471623693 CMNIRNHLKPSGPR-IBGZPJMESA-N 435.406 1.234 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC(=O)N2C)cc1 472270686 AVBKLMBRSCDCAD-GHTZIAJQSA-N 436.516 1.477 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CC2 473010251 PUNCXKOFJWWTIP-UHFFFAOYSA-N 438.532 1.324 30 10 IDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473446491 CJMREYJXCZTSEJ-WBVHZDCISA-N 433.873 1.917 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 478847497 FWCJGVQHCIHKDB-MOPGFXCFSA-N 438.549 1.978 30 10 IDEE CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 480617491 RFFOIKDVLRLXNC-GOSISDBHSA-N 434.497 1.197 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 487510486 GCQZHIQRSOOTTC-HXUWFJFHSA-N 429.484 1.458 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccccc1C#N 511063586 NGQGCKUSCAMYGZ-UHFFFAOYSA-N 426.501 1.884 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 519202884 DWOYTHHVHWPQQU-GFCCVEGCSA-N 440.469 1.126 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3cc(C)sc3C)cc2C1=O 532530161 VIVZZAQZSJXTRH-UHFFFAOYSA-N 447.538 1.855 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc4c(c3)OCO4)CC2)cc1 533021536 DCRFQHFKQQSPEI-QGZVFWFLSA-N 445.497 1.033 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccccc3CN3CCC(O)CC3)CC2)n1 546218562 NTACUUDGCPSPKS-UHFFFAOYSA-N 434.544 1.942 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H]2CCCCO2)cn1 550011746 IYXCUGFFZBKKEU-LJQANCHMSA-N 433.520 1.841 30 10 IDEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555254909 WGNITVQFIAYTPS-SFHVURJKSA-N 442.545 1.741 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 560185404 YGZYNIWTSOZFQJ-UHFFFAOYSA-N 437.475 1.512 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccn2)c1=O 560425903 HUWPGUMTNBKTNJ-UHFFFAOYSA-N 433.537 1.462 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1-c1ccccc1C#N 572213933 KROMNVZMUQWHFN-UHFFFAOYSA-N 434.452 1.167 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 590909243 VESFOXPXXDVLQX-UHFFFAOYSA-N 443.525 1.127 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 604165100 AMIYLUNXCAFRER-UHFFFAOYSA-N 427.549 1.442 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)ccc1F 609464736 NXZOWCCWULLWCJ-UHFFFAOYSA-N 426.477 1.729 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(C)ccc1F 727418856 YUJDFBGMGWFPHH-UHFFFAOYSA-N 427.457 1.205 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 728890006 XSUZHPNRZMQAKA-INIZCTEOSA-N 427.505 1.549 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 729335165 IYDYPAIKCIIBGN-OALUTQOASA-N 432.542 1.343 30 10 IDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 731213406 AZZWHOGBDDWRRG-RTBURBONSA-N 432.542 1.634 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 735579198 BDYOVWSLRBBNLZ-XOMICKMZSA-N 441.488 1.643 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(-c4cccnc4)n[nH]3)cc2)CC1 743439225 WHOPWUVAJMXKMK-UHFFFAOYSA-N 425.518 1.854 30 10 IDEE O=C(NC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1)C1CCCCC1 744014662 PPXNCJFNOHONJW-UHFFFAOYSA-N 446.573 1.803 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 747445522 VNDVJWWCNQPMEX-KURKYZTESA-N 433.530 1.293 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC(F)(F)C2)cn1 757925637 UVPMQVGARANCAQ-CQSZACIVSA-N 441.504 1.887 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2)n1 760913799 UYDLSTZCKOIECP-UHFFFAOYSA-N 435.456 1.710 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCSC[C@@H]2CCO)c1 768972374 LVRDWNMZAGZNOI-WATITHJCSA-N 426.564 1.831 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 774345222 XADFDWBHROVGPY-KRWDZBQOSA-N 438.502 1.652 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 777745225 OGDXEGQJHDMJOT-UHFFFAOYSA-N 439.478 1.732 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 777896675 BUXPHDFCAQPEJV-GDBMZVCRSA-N 447.962 1.566 30 10 IDEE CCCc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cnn1-c1cccc(C#N)c1 785992733 SYKMNZYCGYBARO-LJQANCHMSA-N 431.500 1.834 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@](O)(CN(C)C)C1 788207453 YOTGNCZGUXZGCU-LAUBAEHRSA-N 436.578 1.199 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C 788600055 RJHIHGWKWUMDOZ-JTQLQIEISA-N 425.937 1.308 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CCC2)[C@@H](F)C1 791257555 HOUWHAGUCIMNIR-ROUUACIJSA-N 436.553 1.930 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(CN2CCOCC2)C1 816713007 XABNOOHIWVTBEM-SFHVURJKSA-N 434.562 1.075 30 10 IDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)COC1 1135853656 BXANAPKHIXNJMI-UHFFFAOYSA-N 431.493 1.756 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)C1=O 1137263910 HNIRDYOBJPRCDY-UHFFFAOYSA-N 425.363 1.563 30 10 IDEE COCCOCCOCCN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1154357814 NCRFGQAOVJTAIJ-DKTYTTGXSA-N 439.553 1.911 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)CC2)cc1 1160522054 NXHBQBXKYQOFTQ-HKUYNNGSSA-N 449.529 1.092 30 10 IDEE COC[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCOC1 1178048445 UKTVLDFRSPAXQT-NJAFHUGGSA-N 437.562 1.698 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1214454818 DPHBROFRKAVJAJ-FQEVSTJZSA-N 438.532 1.817 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 1225748318 AQYBDDCHDYDBON-HXUWFJFHSA-N 428.514 1.973 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](COC)OC)c1 1286308671 BXILOLIVSYAXTA-GOSISDBHSA-N 435.488 1.453 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286380367 BUOLPVMIYPLBNX-WIYYLYMNSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286389551 MHZDVDLRYLGRJM-QGZVFWFLSA-N 430.530 1.870 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1286401015 HZKQFMNQTVVOSM-UHFFFAOYSA-N 441.557 1.144 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1=O 1286419389 VUCFRHYVEZSNTH-UHFFFAOYSA-N 433.516 1.791 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1286481405 VFWNWBQTHIFNFU-QHAWAJNXSA-N 444.624 1.815 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCC(=O)NC2CC2)CC1 1286490533 XLQGXCAMPIKBHI-UHFFFAOYSA-N 435.532 1.365 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1286560860 JOAQIQNIRHADGX-XLIONFOSSA-N 427.553 1.513 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(C)=O)CC1 1286606390 OHNGGYOWLBIPLB-UHFFFAOYSA-N 444.536 1.951 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(C)c1 1286778455 FGMQBKKKKMNKHF-UHFFFAOYSA-N 426.521 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286780139 PXVAYOURWFODQT-HDICACEKSA-N 442.564 1.801 30 10 IDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CCN(C)CC1 1289196004 WZUVHLLCZJAKOH-OAQYLSRUSA-N 434.899 1.802 30 10 IDEE CCOC1CC(O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)C1 1296964285 UHPBXESJYODVON-FAGJFJLWSA-N 433.459 1.806 30 10 IDEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 1297054802 WAEKIAZEQHVUBM-KRWDZBQOSA-N 440.456 1.890 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1300307528 GBZRARBSGFPVCB-YOEHRIQHSA-N 425.518 1.472 30 10 IDEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1300353419 UMPQADRLDYGNIR-LJQANCHMSA-N 427.505 1.717 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O 1300459405 SBSVOHNUYKFHEU-JOCHJYFZSA-N 430.553 1.940 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](c1c(F)cccc1F)N(C)C)[C@H]1CCS(=O)(=O)C1 1300482452 FORTUXBNNUNZDR-MAUKXSAKSA-N 437.516 1.794 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300498295 ISMDERJVVOWMAV-RXVVDRJESA-N 431.562 1.298 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300505650 DQSSERGKVAEVSC-RNIPGJKVSA-N 436.578 1.960 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1300601698 KGMDWFMYXJTTIE-MRXNPFEDSA-N 444.561 1.523 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC 1300672276 XJUBOHDAMBAGHX-SJORKVTESA-N 437.541 1.707 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)n1 1300681628 WADFFVKYEHRGLB-IBGZPJMESA-N 448.487 1.225 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C)n2)CC1 1300721922 DFIRXYMGCRWJOL-IBGZPJMESA-N 435.532 1.141 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1300815091 ZMLAWOWTCRUOGK-VGVBMJIYSA-N 439.520 1.671 30 10 IDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301186470 ZYFLOMYYEQMARX-UHFFFAOYSA-N 433.520 1.912 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)C1 1301485539 XLTIHLPSBIJTDV-HNNXBMFYSA-N 432.550 1.344 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1301520416 GIXICOQSFDJMKW-HNNXBMFYSA-N 449.556 1.225 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1301565885 LDVBROILPAPOEQ-DENIHFKCSA-N 431.512 1.844 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1301955868 ASPVRAIMNXVVIB-OAHLLOKOSA-N 442.549 1.870 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@](COC)(C(=O)OC(C)(C)C)C2)c1 1302277728 KGMVHNPIKCWYCZ-NRFANRHFSA-N 436.530 1.419 30 10 IDEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1302504815 CJNPHLARERFWTF-YVGXBJCXSA-N 431.497 1.669 30 10 IDEE Cc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1304345840 IVAGRZOPYMMSEL-ZJYNUGOYSA-N 439.476 1.293 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2cccs2)n1 1304762138 FGODDENEXODZGB-OXJNMPFZSA-N 427.534 1.838 30 10 IDEE C#CCN(C(=O)NCCCN(C)S(=O)(=O)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1311463349 HCXJGDPBRMLJCW-UHFFFAOYSA-N 444.598 1.702 30 10 IDEE CCOCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1314500136 SPNOIIMOJDPZRE-VZCXRCSSSA-N 443.552 1.231 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1314645367 SNEWEWQUPIJUCZ-KSZLIROESA-N 442.545 1.012 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)cc1 1315429609 UGPUXVGHVJHBTD-FQEVSTJZSA-N 436.472 1.808 30 10 IDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)Cc4ccc(C#N)nc4)CC3)cccc2c1 1350262873 AUVOWGCZDYYUIV-UHFFFAOYSA-N 435.509 1.886 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCN(CC)CC1 1358880588 OZDNDIZHGCTGQM-MOPGFXCFSA-N 448.579 1.405 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1F 1358949032 RIWFJWOIHXFGTB-INIZCTEOSA-N 439.488 1.201 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2OC(F)F)CC1 1359035131 LVTUSKUKGDSRSN-QGZVFWFLSA-N 444.486 1.829 30 10 IDEE C=C(C)COCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1359130973 DFHKROUFTXXYSS-HXUWFJFHSA-N 438.532 1.981 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359131463 UZFSPMFMTIYSPD-UHFFFAOYSA-N 442.568 1.016 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)S(=O)(=O)CC)CC1 1359181455 SLHNILJAOHLSIT-UHFFFAOYSA-N 438.598 1.475 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2C)CC1 1359300011 RLRDDDWRZVHIOS-IBGZPJMESA-N 437.548 1.162 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCSCCCO 1359718173 VABQCMINHMOQJC-INIZCTEOSA-N 430.582 1.894 30 10 IDEE CCOC(=O)Nc1ccc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)cc1C#N 1435626040 SCBARWWRLKFAAF-ROUUACIJSA-N 440.460 1.787 30 10 IDEE Cc1c(C#N)c(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)nn1C 1437100850 XXKGAKCQNYPQQN-ZDUSSCGKSA-N 429.458 1.176 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)nnc1-c1ccco1 1455093865 LVICHGAOJGJOLL-RHSMWYFYSA-N 431.518 1.712 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC[C@H]12 1457198635 JLZKZMQVQVQLSQ-YCRPNKLZSA-N 429.477 1.384 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C3)CC2)o1 1460775433 VOQMAUFQALEMHN-KRWDZBQOSA-N 446.552 1.738 30 10 IDEE C=CCN(C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1464394995 CROLVXRVZOHNMY-AWEZNQCLSA-N 429.564 1.912 30 10 IDEE CCCN1C[C@H](CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 1470569193 HEXPYNWDLGVHBP-HNNXBMFYSA-N 426.477 1.896 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)C2)C1 1471389241 AEYZCJJECFHQNS-LLUXXFGUSA-N 446.548 1.263 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@]3(C)CCC(=O)N3)nnc12 1472576619 WIAURLGWOYNZDP-FQEVSTJZSA-N 426.502 1.107 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)O1 1497495704 BOLAWULVNNCJLP-RGCFKVTRSA-N 425.530 1.970 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCN(C(C)=O)CC2)CCOC1 1502681305 GMKDCFMZVRSOEM-RTWAWAEBSA-N 434.516 1.631 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1503830007 HHTLPYACWCIHPL-MRXNPFEDSA-N 430.534 1.371 30 10 IDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1504566895 IAHYPWRHCCZIOY-MRXNPFEDSA-N 446.577 1.959 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(C)CN(C)C1=O 1504884836 DCDKOLAWNFVAGZ-OAQYLSRUSA-N 426.477 1.519 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)COC)CC1 1507740761 YSZZVFYDBLHBFO-HNNXBMFYSA-N 430.578 1.882 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccncc2)CC1 1507980474 ATAJJTSKAADKMT-UHFFFAOYSA-N 438.580 1.630 30 10 IDEE CC[C@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1513995775 BIIAGRRIWLUXPV-YJBOKZPZSA-N 432.550 1.903 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1536179727 LYUHSVJHJBUHBW-FTRWYGJKSA-N 435.933 1.589 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)n(C)c1=O 1538726774 MDDWYRGWNNEBPR-OCAPTIKFSA-N 435.271 1.327 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(CC)c1 1539155639 XXOXRNHAPBKSMZ-UHFFFAOYSA-N 427.534 1.530 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539200399 HXNWZRLYGQIUDX-ROUUACIJSA-N 447.605 1.967 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1539226420 XMXRVFLWHGNMAT-LJQANCHMSA-N 437.525 1.645 30 10 IDEE C#CCN(c1nnc(COCC)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539231456 SKXKAERHZQPPJC-GOSISDBHSA-N 445.545 1.470 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1539307962 ZEFYPTWIFJFREU-XUTLUUPISA-N 449.902 1.983 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1539370725 ZHIBJBPJKWVARO-SLFFLAALSA-N 443.573 1.874 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1539417501 KDGSGDKKXCRFCU-UHFFFAOYSA-N 447.543 1.630 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCC(C(=O)NCCOC)CC1 1539609623 QLOHJNOLPDRDME-UHFFFAOYSA-N 430.347 1.702 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1539722150 LYUBBMPFWUGKRJ-UHFFFAOYSA-N 439.520 1.625 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1539744158 DGCVFJQNKLCXCY-ZWKOTPCHSA-N 429.525 1.616 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1540192115 WMZZAYUIUBEKGE-SFHVURJKSA-N 440.342 1.836 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccccc2)CC1 1540861635 ADUIJJMDWYHMCL-UHFFFAOYSA-N 439.564 1.431 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCCC1 1541661411 DQFVHARFGJCCKR-UHFFFAOYSA-N 425.493 1.256 30 10 IDEE Cn1c(=O)cc(N2CCC[C@@H](NC(=O)c3ccccc3)C2)n(Cc2ccccc2C#N)c1=O 1542033317 YJMNTJGSDFBRQM-OAQYLSRUSA-N 443.507 1.866 30 10 IDEE in-vitro N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)NCCO)cc3)CC2=O)cc1Cl 1556055053 ACEHTROYSLIKQP-HNNXBMFYSA-N 426.860 1.925 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)(C(N)=O)C1 1556196943 FRORUNQDKAEKJX-AWEZNQCLSA-N 431.468 1.115 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)C1 1557567789 LYCNFUXLWJRSSL-GOSISDBHSA-N 433.350 1.815 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1558329966 WHZPUSNDMYFCRS-FQEVSTJZSA-N 431.558 1.504 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1558465073 WMNXHWAABSBONW-GOSISDBHSA-N 441.513 1.537 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)C1 1559973192 GQJAEBBTZZPECS-UYAOXDASSA-N 443.544 1.953 30 10 IDEE Cc1nsc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1C#N 1564964416 CRWLYCSLJKUNKL-AWEZNQCLSA-N 447.542 1.390 30 10 IDEE COC(=O)CN(CC#N)C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1565905832 CAAOPKVOJAXQTM-UHFFFAOYSA-N 427.788 1.162 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)c1cc[nH]n1 1586480601 KTCPPZGOLLHCMS-UHFFFAOYSA-N 427.461 1.843 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1587598916 IXBSZCCYYQBXJT-OAHLLOKOSA-N 448.545 1.360 30 10 IDEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCN(S(C)(=O)=O)CC1 1587889006 RCKFBJXPZWUHKO-UHFFFAOYSA-N 431.562 1.915 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588059740 UBXKWYYHEREMQR-AUSIDOKSSA-N 442.585 1.937 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1588139516 OIAPWJZXSLZBKH-QZTJIDSGSA-N 433.578 1.510 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCOCC1 1588276200 ILFLCPYLLVMYGQ-UHFFFAOYSA-N 435.326 1.364 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CCN1CCCS1(=O)=O 1588605087 YFKQNXMZHBNQKN-UHFFFAOYSA-N 431.562 1.629 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccccc2)CC1 1588751450 KWNVOSCNFZPAAN-CVDCTZTESA-N 427.549 1.665 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@@H](C(F)F)N1CCOCC1 1589134870 QWXZXHWAGWFGAT-HRAATJIYSA-N 438.523 1.764 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1589305313 QDHCRCLSWUASHL-SUMWQHHRSA-N 428.331 1.627 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)CC1 1594733269 PXXJEGHXMISCRO-GOSISDBHSA-N 438.598 1.252 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1595569667 MTLCFOCTFBWMEX-GOSISDBHSA-N 440.552 1.358 30 10 IDEE CC(C)Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603589785 XYLOQDHEALFQLI-DNTCVELPSA-N 429.525 1.095 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1611766805 BTAGUUHNKOYKPB-KWEZKLGQSA-N 425.493 1.438 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613216983 QDSWJJSBWFKBCK-RMYFCYLKSA-N 430.509 1.707 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)s1 1616581148 IXIRVUZMDVTRDX-LIRRHRJNSA-N 444.575 1.618 30 10 IDEE Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccncc2Cl)cc1S(=O)(=O)NCC#N 1618612279 KLTDISDCDOVLBZ-AWEZNQCLSA-N 436.921 1.426 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCCCC2 1618757750 HDIWYAYUAYAUJY-UHFFFAOYSA-N 433.520 1.755 30 10 IDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 1620531755 QOTOWLGHHKUCBW-UHFFFAOYSA-N 449.573 1.659 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 1625755733 DQQUYIYUUVQYNG-UHFFFAOYSA-N 433.390 1.477 30 10 IDEE NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1626983324 PARVIKDOYPZIDY-FKIZTMCRSA-N 437.496 1.654 30 10 IDEE CN1CCn2c(CCNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)nnc2C1=O 1637182856 WMLQWCLPAVBYJV-UHFFFAOYSA-N 430.468 1.787 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(=O)n1CCO 1641368822 XNKHSZRHTCESBJ-SNVBAGLBSA-N 425.272 1.367 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1=O 1652960275 QCTFQBXEMDMSCT-UHFFFAOYSA-N 428.832 1.104 30 10 IDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1660543121 VXGKJAWCNFDRBJ-KRWDZBQOSA-N 435.546 1.024 30 10 IDEE C#CC1(O)CCN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)CC1 1672536425 HRFSMKCJADGHLJ-UHFFFAOYSA-N 444.351 1.206 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(Oc3ccccc3)c2)CC1 1674177839 IBXVZZMIZGYEBV-UHFFFAOYSA-N 429.502 1.169 30 10 IDEE CCN1C[C@@H](CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 1674196791 PKZUIOCMSACTJN-CQSZACIVSA-N 427.484 1.565 30 10 IDEE CN(C)CC#CCNC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1684869964 SDOGRPRXFZNPNT-UHFFFAOYSA-N 429.546 1.206 30 10 IDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1690230520 HGFJOKSXJDBGES-UHFFFAOYSA-N 435.326 1.643 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1690622546 RTKXVOWBJFTXHL-KRWDZBQOSA-N 433.534 1.320 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690680997 CJROKYSSUHEJCF-GOSISDBHSA-N 438.532 1.840 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690723036 FTEMFDFROWAQKP-INIZCTEOSA-N 432.550 1.306 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1692888152 XCCVDBYHRHBJOO-HOCLYGCPSA-N 448.549 1.498 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1697770430 UPFIAMQELYFESR-UYAOXDASSA-N 426.521 1.989 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cnc2c(Cl)cnn2c1 1705540552 FADWUVMVCRMMAN-UHFFFAOYSA-N 435.879 1.934 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@@H]1CCOC1 1705577416 ZKPKUSHQHGGEFR-HXUWFJFHSA-N 432.488 1.189 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705582967 NUIBGAVXIKXZOC-KRWDZBQOSA-N 428.514 1.337 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1705732034 LLYXBFQPOIIXGZ-QGZVFWFLSA-N 431.518 1.670 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1705755746 XSMQYKMNRKCHCV-YOEHRIQHSA-N 448.014 1.697 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 1705939612 HQBKSRAERHTBQQ-MRXNPFEDSA-N 429.550 1.365 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1708728726 DZQMFQWOAVDFJE-QFIPXVFZSA-N 441.511 1.980 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1722299962 VHOJQCSWOGUFKH-AWEZNQCLSA-N 426.912 1.797 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1722314456 NZFNLXIJLVGUJU-MSOLQXFVSA-N 427.553 1.850 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1722324591 UXBDERLSZDODCM-INIZCTEOSA-N 433.582 1.902 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1ncn(C)n1 1722423075 XWPTXBNVYOQCOZ-UHFFFAOYSA-N 430.310 1.970 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1722507533 PRDNKGPYOXFYAA-HBFSDRIKSA-N 446.596 1.757 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1722674314 QAPXHXWSBDPNLA-HNNXBMFYSA-N 427.509 1.479 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 1722693549 SBFTZYBRVWIHDY-MRXNPFEDSA-N 428.537 1.795 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C#N 1722729205 YBVSWVPMUAJTIP-QAPCUYQASA-N 431.518 1.987 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722732423 YZDUHPASWRARRV-KRWDZBQOSA-N 447.561 1.433 30 10 IDEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1730484723 QUOAKNGGVZLFGM-QGZVFWFLSA-N 425.472 1.256 30 10 IDEE CS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1731007987 DEYKBIQHVBTFBM-UHFFFAOYSA-N 443.577 1.649 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCOCC1 1740536801 MPULJACACHCMPP-MRXNPFEDSA-N 427.505 1.669 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1740657651 VDKVKUIVBCMKAJ-LJQANCHMSA-N 442.589 1.852 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1740658063 GFBBAMNUMAXLGL-UHFFFAOYSA-N 438.557 1.778 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(F)c2)CC1 1740701071 TUSFPALUAAJWGT-UHFFFAOYSA-N 438.507 1.667 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2CCS(=O)(=O)CC2)CC1 1740702354 MIKVEFMJBJGQLB-UHFFFAOYSA-N 435.594 1.366 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1740717514 UVWCCYHUEIGBDG-DLBZAZTESA-N 439.607 1.214 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1740961898 LTBJYLFRURILOC-UHFFFAOYSA-N 444.499 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740988810 QCGJYUJHCDZPHQ-FUHWJXTLSA-N 445.545 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCCCC1 1740991726 CKQUPUYTPVWAAS-HNNXBMFYSA-N 430.596 1.550 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOC[C@H]3CCCO3)CC2)c1C#N 1742670273 ZPIUISZLTMHTNQ-GOSISDBHSA-N 428.541 1.412 30 10 IDEE CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1745969297 QGYPDCFVMZBMIJ-LZICOFPGSA-N 427.509 1.525 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1748666684 FZBYSYSDOVITFC-MOPGFXCFSA-N 428.581 1.970 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1748795048 VJMLLHKDYORCTE-GBXCKJPGSA-N 438.576 1.252 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1748906059 OPNCJMMKQRBUOS-GFCCVEGCSA-N 430.456 1.810 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccco1 1748925015 BSIHESIMGWXWCS-UHFFFAOYSA-N 448.531 1.935 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749387364 YXKBIFYRBNWXNM-NRFANRHFSA-N 431.541 1.587 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1749464623 AGIKCRCOLVQULM-MRXNPFEDSA-N 429.550 1.804 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749660404 OOWRPNSESBYAMN-UHFFFAOYSA-N 428.500 1.841 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749721782 TYWGSPABCWUWII-OAHLLOKOSA-N 437.570 1.577 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1760131717 YMDRLVVRXKPDFZ-INIZCTEOSA-N 425.555 1.078 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(=O)COC)CC1 1760157635 WLBVIPZZRWEOHI-UHFFFAOYSA-N 444.561 1.414 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760189209 SMEQYNISYYDCQI-IRXDYDNUSA-N 447.948 1.558 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1760236668 GHBMFQXYWJGOAH-UHFFFAOYSA-N 434.548 1.140 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2oc(CC)nc2C)CC1 1760268015 AISCEUHLJKVGMO-UHFFFAOYSA-N 434.504 1.608 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2nccs2)CC1 1760268545 LMKGSHOOTOBMKU-MRXNPFEDSA-N 441.561 1.284 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1760315772 ISIWSPMKMBAYEQ-VQHPVUNQSA-N 441.598 1.873 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760428611 ZQADQBFSIIMKCJ-WMZOPIPTSA-N 434.566 1.848 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1760450774 RVFOFMANRREFKV-SFHVURJKSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760520163 DPYBRTRKAKNRHY-UHFFFAOYSA-N 443.527 1.970 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1767232770 JMTACJGKTRNEFB-JOCHJYFZSA-N 436.520 1.147 30 10 IDEE CCOCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1767794324 AFMVGSYFLPYGQZ-OXJNMPFZSA-N 441.536 1.316 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1850813619 FHKOPSCDYWBVMU-INIZCTEOSA-N 434.436 1.123 30 10 IDEE CC(C)(C)[C@@H](C(=O)Nc1ccc(C#N)nc1Br)N1CCS(=O)(=O)CC1 1851747312 AJAXFMBQOXMEFJ-CYBMUJFWSA-N 429.340 1.799 30 10 IDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccccc1Cl)C(C)C)[C@@H]1CCN(C)C1=O 1852959281 BUOHXKOGVQXPLV-WBVHZDCISA-N 427.954 1.888 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1C 1853405757 UFICQCSZOPAJSX-UHFFFAOYSA-N 439.442 1.518 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)CCCOc3ccccc3)CC2=O)c1 1856763049 GIGQKVAWHFSFLW-UHFFFAOYSA-N 427.482 1.642 30 10 IDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1861766645 BNMPMODSYZRKIB-QFBILLFUSA-N 437.427 1.504 30 10 IDEE CCN(CCO)C(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869928098 QIUORSTWSHVQON-IBGZPJMESA-N 440.525 1.659 30 10 IDEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870150488 DHCSLJMYJICLHG-ZDUSSCGKSA-N 434.387 1.968 30 10 IDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N(CC)CCc3ccncc3)ncnc21 1873595296 WWXGTWHSRSEOOG-UHFFFAOYSA-N 435.532 1.947 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2124538743 MVHDSDBWUWTHQR-DZGCQCFKSA-N 448.329 1.644 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@H]21 2141670103 KSNPVZILDVMOQZ-BRWVUGGUSA-N 445.325 1.954 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](C(=O)O)C1 2224098178 SATRJBWVAMDBGM-HNNXBMFYSA-N 433.314 1.891 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2243416744 MKNHNVJCVSGMBG-OAHLLOKOSA-N 426.266 1.647 30 10 IDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403408 DMSWTWBQYHFEOD-LLVKDONJSA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255654316 VNDZVEFKKRBDGJ-GJZGRUSLSA-N 436.314 1.679 30 10 IDEE Cc1cc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2255880258 BYGPDNYWBXXBKI-INIZCTEOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256062124 QOLXQHPLMXQNAR-ZSEKCTLFSA-N 430.314 1.515 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256678597 FTBVDEPSCMERPW-UHFFFAOYSA-N 434.346 1.776 30 10 IDEE C[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1NC(=O)OC(C)(C)C 2267265905 LSTWKUQHUKLLBS-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CCN(Cc2ccccc2)CC1 2267266515 DCPONPKYDUIIDS-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267499494 USSKIERMQGIQRB-IIAWOOMASA-N 446.357 1.705 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2267545626 LURBBXWVEAQNBR-ZIAGYGMSSA-N 449.361 1.538 30 10 IDEE C/C(=N\Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccc(F)cc1 21081988 QGBQPNALEVRPRU-LSFURLLWSA-N 443.468 1.215 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1O 21316826 OBGCUKPKOQMDRY-NGYBGAFCSA-N 434.507 1.648 30 10 IDEE COCC(=O)N1CCN(c2nc(CC#N)nc(COC)c2Cc2ccccc2F)CC1 36008390 QJWCAQSBQKMMLQ-UHFFFAOYSA-N 427.480 1.714 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CCC#N)CCCN(C)C)C1 64361423 IMYUJOVBCAIIDV-QGZVFWFLSA-N 425.555 1.386 30 10 IDEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCN1CCO 426483184 BTLUSJQGMVAHHV-MSOLQXFVSA-N 429.565 1.354 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C 440379144 LRSSQRDWEDRYLP-HNNXBMFYSA-N 448.504 1.326 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 447116533 NIWMCMLDQJLMBW-KRWDZBQOSA-N 426.427 1.869 30 10 IDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 471373353 MVAYIZWQHBJYOG-UHFFFAOYSA-N 431.543 1.774 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 477858843 VDPFDNJQAKRFSP-UHFFFAOYSA-N 446.573 1.438 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1C 480610715 OXFDUYAAWDHBGC-LJQANCHMSA-N 449.964 1.951 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 512714105 MOWUOQIWAWDYPU-OAHLLOKOSA-N 439.343 1.793 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC1 521359179 ZPJRZAIKABZPTA-UHFFFAOYSA-N 430.530 1.094 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@@H]2CCOC2)n1 549693907 PKTGEDRNPAXNFO-IBGZPJMESA-N 447.547 1.770 30 10 IDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 558455278 VKPXJFOIVYDUIR-LJQANCHMSA-N 445.545 1.981 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@@H]2CCCO2)cc1C 574309969 CUBGTNNGNZXOHJ-IBGZPJMESA-N 448.548 1.825 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCC1 579292242 CDGRJKAMMHNXPI-HXUWFJFHSA-N 430.574 1.819 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccc(C#N)cc1 588850731 VIWSDEBEVRXQJC-UHFFFAOYSA-N 442.541 1.823 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1Cl 604024571 OCCMPLFOVUYPSH-UHFFFAOYSA-N 449.945 1.788 30 10 IDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 612196835 HSOJKPHFEFHKPM-UHFFFAOYSA-N 435.505 1.221 30 10 IDEE N#C[C@H]1CN(Cn2nc(N3CCOCC3)n(-c3ccccc3)c2=S)CCN1C1CC1 732672560 JODMMPPYYQIPPC-IBGZPJMESA-N 425.562 1.870 30 10 IDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)CC1 732700888 TZBVEPVGKMTRJE-LJQANCHMSA-N 446.577 1.217 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)ncn2)cn1 756870600 NBTDNSBUOSASBS-KRWDZBQOSA-N 444.565 1.201 30 10 IDEE C#CCN(C(=O)c1ncc(Br)cc1Br)[C@@H]1CCS(=O)(=O)C1 759078231 VZNHNKXLRIQTRK-SNVBAGLBSA-N 436.125 1.869 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccc(F)cc3)c2=O)c1 763436358 ITRVMVMVZCAJMX-UHFFFAOYSA-N 436.512 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C(=O)O)C1 776690966 SRUPHTJBLCWEOO-CQSZACIVSA-N 429.882 1.906 30 10 IDEE COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 782919092 MJWOJTYQXSLIIH-UHFFFAOYSA-N 434.521 1.230 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)=NO1 789979736 UYSWAXSLYLNEGS-ZWKOTPCHSA-N 427.505 1.893 30 10 IDEE Cn1ccnc1[C@@H](O)C1CCN(CC#CCN2CCC([C@H](O)c3nccn3C)CC2)CC1 792871531 LWYBKRFAMVRAOC-VXKWHMMOSA-N 440.592 1.348 30 10 IDEE CCn1c(COC(=O)[C@H](C)n2cnc(C#N)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 798742178 IGOOBIQJBKQSBX-LBPRGKRZSA-N 431.478 1.074 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCCC2(C#N)CCOCC2)[C@H](C)O)cc1C 800077335 MMIUDFMCBDPKKP-PKOBYXMFSA-N 438.546 1.975 30 10 IDEE Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 803757970 FPXBYURHKVVTIV-UHFFFAOYSA-N 433.511 1.618 30 10 IDEE C#CCN(C)CCCNC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 818609006 FVGOFUTTXNDGGG-VXAPCQRLSA-N 431.536 1.537 30 10 IDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n1 856703067 WCMCLKHZABIGHR-FQEVSTJZSA-N 432.502 1.015 30 10 IDEE COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 917036749 LRNQRZUORAUOKX-QQHGCPPCSA-N 426.473 1.521 30 10 IDEE COc1cc2c(cc1OC)CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 919894807 PUGBIBRJPWOUSV-UHFFFAOYSA-N 443.525 1.760 30 10 IDEE COc1cccc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1O 1083939425 QDKDLKSSJGIYSQ-UHFFFAOYSA-N 445.480 1.700 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C1(c3cc(F)cc(C#N)c3)CC1)CCS2(=O)=O 1134859531 SKVSXLFRWOGOHE-WSGJVKOYSA-N 434.489 1.744 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N(CCC#N)CC1CC1 1136680521 LITJWVDKXJTZBZ-GVDBMIGSSA-N 425.551 1.809 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(N3Cc4cccc(C#N)c4C3)c([N+](=O)[O-])c2)CC1 1163629878 QWXOYHIINNUFHG-UHFFFAOYSA-N 427.486 1.923 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OCC 1211884861 ZRMWXGLRILQNAS-LLVKDONJSA-N 447.307 1.956 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)CC1 1222176106 JLINHPVOLIDFMH-INIZCTEOSA-N 438.550 1.338 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCOCC1 1253348483 QAONAPWKERKQSS-SFHVURJKSA-N 436.490 1.039 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286387022 MSBVMFHAUJLNDK-CVEARBPZSA-N 432.550 1.205 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1286410145 SHMORQJKXAUNPC-QUCCMNQESA-N 437.569 1.704 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1286421702 GOOGCKZVRCQXLN-QHCPKHFHSA-N 437.548 1.759 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCCN2C2CC2)CC1 1286493701 WTZJNHXTMHZUBX-FQEVSTJZSA-N 428.581 1.797 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1286582458 YTTGKEYDXQXWHJ-SFHVURJKSA-N 434.566 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@@H](C)C1 1286813764 BHBKDLLKDPXUFD-AWEZNQCLSA-N 429.612 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286824701 GSHOHASWGIHAQI-VQIMIIECSA-N 428.555 1.146 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCS(=O)(=O)c1ccccc1 1290816606 OETORGZOFHBXON-UHFFFAOYSA-N 438.513 1.986 30 10 IDEE CCO[C@@]1(c2nnc(N3CC=C(C)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1296575881 AZHNCPNPYKXACZ-WUKBZCGHSA-N 442.520 1.613 30 10 IDEE CNC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1299235504 KOFINKRTAPHFGN-UHFFFAOYSA-N 446.515 1.683 30 10 IDEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C(=O)NC)C1 1300423381 NPMJBZUZMAPSNC-IBGZPJMESA-N 427.505 1.620 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300479540 ORZJLOXHIUKYEZ-MRXNPFEDSA-N 442.545 1.742 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1300495482 IAKQPKJYYFWLRY-AZUAARDMSA-N 443.573 1.745 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCC#C[Si](C)(C)C)o1 1300588563 QWTZEPILHDRLOB-OAHLLOKOSA-N 440.594 1.997 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1300603383 PZMSBUFNDIZSBE-NRFANRHFSA-N 432.546 1.864 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1300650720 XILMVDCUQFZTEX-AEFFLSMTSA-N 433.553 1.909 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(C)COCCO2)CC1 1300726280 JVHGAUASQBJGAX-HSZRJFAPSA-N 438.532 1.035 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1300732120 KYEAIBCUPDOBMV-HNNXBMFYSA-N 427.596 1.140 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1300787616 MBJPNXPNTLHFIE-TUACAJSNSA-N 444.624 1.948 30 10 IDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1300853462 PEYHNGKASVVEKP-UHFFFAOYSA-N 449.400 1.528 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NS(C)(=O)=O)CC1 1300897225 PLAWPNGBCKDLRZ-QAPCUYQASA-N 427.571 1.314 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](OC)C1 1301596058 GIEAPVPAJZYLNG-BBWFWOEESA-N 428.555 1.218 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302497315 GBFGYVUAHNGZRT-QGZVFWFLSA-N 449.606 1.046 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1306545509 SPMHMEPOZOTFSK-FHJLPGHOSA-N 438.532 1.995 30 10 IDEE C[C@@H](CC#N)NCC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1307886727 UFYAOBBTBZUWDW-RGZVIEDOSA-N 432.527 1.624 30 10 IDEE CS(=O)(=O)c1ccc([C@@H]2CN(C[C@@H](O)COc3ccc(CC#N)cc3)CCO2)cc1 1307955613 CTQLBUICCFRPQV-KNQAVFIVSA-N 430.526 1.969 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1314670733 MNWRJKNNUUKEFL-JOCHJYFZSA-N 439.520 1.426 30 10 IDEE C#CCN(C(=O)c1cnc2scc(-c3ccccc3)n2c1=O)[C@H]1CCS(=O)(=O)C1 1318342271 LMECKBMGTQLKSQ-HNNXBMFYSA-N 427.507 1.686 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)ccc1F 1324408360 JASPKSYFWSNEOW-UHFFFAOYSA-N 449.507 1.887 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCOCC1 1358974435 DPMRPSVLWNMFAR-IBGZPJMESA-N 435.528 1.757 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC1 1359018095 DHEMJFOMNTZOFX-KRWDZBQOSA-N 431.924 1.984 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1snnc1C 1359019727 FIULBMTUAGYUPM-UHFFFAOYSA-N 446.558 1.643 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359032899 IFCRXTSUWFGYCS-QGZVFWFLSA-N 429.546 1.144 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCn2ccnn2)CC1 1359038368 TZKBYEDUBQDPSA-UHFFFAOYSA-N 434.548 1.911 30 10 IDEE C=CCCOCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1359229757 TWCFUKWGDDHKJI-UWJYYQICSA-N 437.541 1.800 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359302856 VUBQGFOBTCCCTP-VGOFRKELSA-N 426.521 1.340 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C 1359310836 IHUCHKHEQPNSHY-KRWDZBQOSA-N 438.532 1.336 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(OC)c1 1359331218 REFADPGFVODNCS-UHFFFAOYSA-N 430.534 1.924 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359341268 QSVNZWABRSHJAQ-FQEVSTJZSA-N 442.549 1.469 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1360338400 CZEKMVLJEOEAAU-QFIPXVFZSA-N 442.520 1.923 30 10 IDEE N#C[C@@]12CN(C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1439610763 MENAAGAHAFKICR-RXVVDRJESA-N 444.534 1.671 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1)C(=O)OC(C)(C)C 1445054434 MWGIUUYIYGZNLC-MRXNPFEDSA-N 435.525 1.682 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)s1 1445628639 OECRPKKMFWPKIL-AWEZNQCLSA-N 438.527 1.848 30 10 IDEE CCOc1ccc([C@@]2(C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2(Cl)Cl)cc1 1453843402 SMFKHRWIWZCCTA-GOSISDBHSA-N 437.283 1.851 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)CC1 1455114579 FFMRCQPPVDLNQP-UHFFFAOYSA-N 440.953 1.550 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)N3CCCCC3)CC2)s1 1463924624 KNFANKDSMDRZTI-UHFFFAOYSA-N 440.591 1.505 30 10 IDEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1464657504 UDLPHMIQHWKZKI-UHFFFAOYSA-N 437.880 1.518 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 1469716425 MJJGPAXQMYCDNS-XIKOKIGWSA-N 447.444 1.331 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)c1 1472208828 VOOYGJLKFLXSRP-LJQANCHMSA-N 428.466 1.347 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(-c3nc(C)co3)ccc2C)CC1 1475011845 SRZFIADTZBHGKQ-UHFFFAOYSA-N 430.530 1.404 30 10 IDEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1475838808 NSHYBFVTVFSCDI-ZBFHGGJFSA-N 425.532 1.029 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 1478959820 JIASHINKNXFSTI-SSEXGKCCSA-N 445.423 1.949 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(c3ccc(S(N)(=O)=O)cc3)CC1)C2 1479160024 RASWWGSBKPZLQJ-SFHVURJKSA-N 425.514 1.205 30 10 IDEE C[C@@H]1COCCN1c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1494589620 FLGVAMRCTAVNGG-ORIGZDJFSA-N 428.518 1.682 30 10 IDEE CCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499065922 ZJOZEVJWAJFKSX-AMGRQBIBSA-N 443.552 1.498 30 10 IDEE CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1500311781 FKYVKQHAKQYYLB-INIZCTEOSA-N 446.581 1.672 30 10 IDEE CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1500457928 CVUFHWKXXGVCPD-MRXNPFEDSA-N 431.566 1.887 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1505048300 ODBOGXYEWOWFFI-HTAPYJJXSA-N 427.505 1.864 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1505134474 FYFLCZIJQMQDJU-ROUUACIJSA-N 445.545 1.636 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(F)F)CCN1C1CC1 1505321930 ZAGCBENICLVQEM-INIZCTEOSA-N 437.495 1.362 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C1CCC1 1507610955 KHZMKQDSXQCISG-UHFFFAOYSA-N 436.564 1.828 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1507629954 RONSTZJFCFNMML-INIZCTEOSA-N 425.518 1.057 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630937 AGMGPIPNWATLIK-XUVXKRRUSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507653604 ZPGQFPWRJBVXAW-UHFFFAOYSA-N 446.960 1.535 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507659250 YKJMMOXJWDQYRR-JOCHJYFZSA-N 448.571 1.780 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1507774874 DNWSXUTWWQMJMA-UHFFFAOYSA-N 428.331 1.711 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@@H]1CC 1507945201 DMEJQZMABGLDCU-INIZCTEOSA-N 431.566 1.919 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1508094475 OCPSUNLULCHWQL-UHFFFAOYSA-N 429.481 1.352 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1[C@]1(OCC)CCOC1 1508096655 BLXJZJDKUNSDAK-AVRDEDQJSA-N 433.553 1.485 30 10 IDEE CCCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1515116865 FPPQFDAIHRVLJF-UHFFFAOYSA-N 449.519 1.201 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1539231087 OFXCOVPJRPBCCL-KSZLIROESA-N 436.578 1.819 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1539237213 ABYOBVSSDZPOJR-HSZRJFAPSA-N 440.548 1.744 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1539257461 KDRCEWIOEXQQLG-BXKMTCNYSA-N 430.512 1.816 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540901907 UKFPHAYCLCMJJA-OAHLLOKOSA-N 425.555 1.860 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1542481047 SHDSEWGKUCTPSZ-PXNSSMCTSA-N 436.530 1.662 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1545705507 BKKGCZRPFBBOAJ-WBVHZDCISA-N 439.520 1.345 30 10 IDEE Cn1[nH]c([C@@H]2CCCN2C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc1=N 1556315931 JZWQGLGPWRZMLB-CELYABABSA-N 429.525 1.678 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 1557384593 SQWCMKLEDNFYBD-MRXNPFEDSA-N 435.527 1.446 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1558643319 SIRSBBSHBHWQDO-CKJXQJPGSA-N 437.562 1.810 30 10 IDEE CSc1ccc(CNC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1C#N 1565346578 SQEXALRCVJKJBD-UHFFFAOYSA-N 440.591 1.862 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCSC[C@H]3c3nn[nH]n3)C2)C1 1567809316 UPYUFMAYXDQHRV-SGJMOYSZSA-N 433.538 1.603 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)CC1 1568911394 KOCDPQMCQQGDJW-ZHRRBRCNSA-N 432.521 1.616 30 10 IDEE CCOC(=O)C1(C(F)(F)F)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1585738553 NDWCYQBTPGYPLO-UHFFFAOYSA-N 447.435 1.459 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C)c(C#N)cn3)c2)CC1 1586231700 HHJJUQANPBFZKV-UHFFFAOYSA-N 427.486 1.367 30 10 IDEE C[C@@H]1CCc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)c(C#N)cc2C1 1586403466 WWGMPTFWMRSVRF-CQSZACIVSA-N 443.529 1.690 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](COC)OC 1587579368 FWKRKSQJMFERHY-NVXWUHKLSA-N 435.550 1.315 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1587620659 JAMKARMJTRQUCW-ZDUSSCGKSA-N 428.456 1.594 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N1CCSCC1 1588155676 UJSRAPNWXXHKNZ-UHFFFAOYSA-N 449.627 1.382 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1588228684 JTPIHEJNYSBGTH-ROUUACIJSA-N 426.546 1.102 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588780437 PXJJHAGYRIVQIV-HNNXBMFYSA-N 434.953 1.183 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(N(C)C)c2)CC1 1588930402 VLEZNIVPBCWEDX-FQEVSTJZSA-N 436.560 1.862 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1589232930 AUFDJSGOZOOKPA-RUZDIDTESA-N 449.603 1.723 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1593691558 YZUISYIPJVEQRR-QFIPXVFZSA-N 433.553 1.881 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1595476362 KHUBPYWZSVMPGX-JZXOWHBKSA-N 446.577 1.573 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2NC(=O)CC2(C)C)C1 1595665606 YBZJBNPPBWSFAM-IAGOWNOFSA-N 432.569 1.893 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC)C1 1595730712 YEQYPTHHDSURHO-DLBZAZTESA-N 441.598 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccn2)CC1 1595799105 XNDUBXHFYBPFQK-QGZVFWFLSA-N 432.550 1.104 30 10 IDEE C=CCOc1ccc(CC(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1616331352 SREIVUXJOWQWDL-OAHLLOKOSA-N 431.514 1.845 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@H]1C 1619937574 OYPRPMJAGAQSOO-NQIIRXRSSA-N 440.548 1.779 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CCO1 1620355597 LBIRXLFONJPMHH-STQMWFEESA-N 432.282 1.164 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc3c2CCN3C(=O)COC)n1 1623568228 MOEXQSFODXDHHX-UHFFFAOYSA-N 425.489 1.732 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)s1 1624989902 ATINWKZFCFMUDS-MRXNPFEDSA-N 436.511 1.722 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CC1 1626775010 FYZGYPZEIOCWIQ-UHFFFAOYSA-N 428.386 1.998 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cnc2c(Cl)cnn2c1 1628777642 FWVGUJGZHVUDTR-GFCCVEGCSA-N 432.893 1.280 30 10 IDEE CN(C)CC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1629091893 JWRLNLRKZREXID-JQHMZKTJSA-N 433.553 1.006 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)ccc1F 1631278107 QZHMKJUSUKBJMH-UHFFFAOYSA-N 432.282 1.581 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 1633212220 ABCHNNWDVPNENB-DENIHFKCSA-N 441.557 1.995 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)C1 1633661949 BMCOXVXEONCTTG-PDSXEYIOSA-N 438.525 1.888 30 10 IDEE C#CCN(CC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC(C)(C)C 1637656460 NFROPEKNDFGODC-UHFFFAOYSA-N 448.524 1.556 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3csc(N4CCOCC4)n3)C2=O)cc1 1638428657 FXOSNRHQBDXIBZ-GOSISDBHSA-N 425.514 1.706 30 10 IDEE CN(CCCN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccncc1 1642000860 VCBOVSOYISHLGH-UHFFFAOYSA-N 443.573 1.881 30 10 IDEE Cc1onc(CC(=O)N2CCC[C@H](n3nncc3I)C2)c1C#N 1643459540 WNLKVGPASFUYPD-JTQLQIEISA-N 426.218 1.457 30 10 IDEE CC(C)NC(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1643984025 ISIQXXBMPARXHN-CTNGQTDRSA-N 429.540 1.771 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)ccc1F 1645689075 SCZZGRWSFIWQHB-KUHUBIRLSA-N 425.482 1.641 30 10 IDEE N#Cc1cncc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 1645990178 TZMIOXYNLAAVMJ-UHFFFAOYSA-N 430.394 1.943 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1654020191 CJFICAXKVOYJQJ-ARFHVFGLSA-N 425.526 1.637 30 10 IDEE CO[C@@H]1C[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)Cc3cccnc3N2C1 1659769022 VTIJHVIYXLHUHP-HBMCJLEFSA-N 426.565 1.183 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)CC1 1663849901 ROFZDTTYEYWCHN-UHFFFAOYSA-N 449.356 1.999 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 1671196092 DNVOLGZAMAPUSP-IBGZPJMESA-N 431.493 1.105 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CC1 1673162053 AXLRDFGVFSSLHO-UHFFFAOYSA-N 435.333 1.167 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1673802812 WRIWABYKKGHXHO-BZSNNMDCSA-N 436.553 1.831 30 10 IDEE COc1ccc(Br)c(C(=O)NCCCNC(=O)N2CCO[C@@](C)(C#N)C2)c1 1681603917 BDXBYDPDPLBVCX-SFHVURJKSA-N 439.310 1.902 30 10 IDEE C#CCN(C(=O)NCC1(S(C)(=O)=O)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1682207623 KAOLMILLAXFUTI-UHFFFAOYSA-N 427.567 1.998 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2nncn2C)c1 1689872233 RXWLALUHNXNVGR-SFHVURJKSA-N 434.504 1.753 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1690003144 DWAQYCARFQPPOY-QHCPKHFHSA-N 429.565 1.238 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1690077002 GMJDNIRSWZGLNR-HNNXBMFYSA-N 439.488 1.727 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1690255566 STSWUIQNEFUTMW-TXTPUJOMSA-N 433.553 1.650 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC)CC2)nnc1C1(c2ccccc2)CCC1 1690677957 GIJQPYBLSOGOPN-UHFFFAOYSA-N 438.532 1.939 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(N)=O)cc2)C1 1690684226 AZFMYYMRTPJEHZ-GOSISDBHSA-N 447.499 1.854 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1690722880 ZAEZEKJNTDKHOA-HNNXBMFYSA-N 442.545 1.694 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1705489427 PETNOQMRGVUGQW-YCRPNKLZSA-N 427.530 1.444 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1705500922 CCAGELZPXFDVQK-QGZVFWFLSA-N 428.512 1.618 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCNC(=O)C(C)C)c1 1705507729 JOTKKYUKHHGLCP-LJQANCHMSA-N 438.532 1.958 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)Br)CC1 1705642058 FFEAJCLDUSXZEQ-UHFFFAOYSA-N 442.312 1.883 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705752800 HLXFBXLVSIFWOS-OAHLLOKOSA-N 445.911 1.523 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C(N)=O)cc2)CCOC1 1706680392 QZWXJHXVSNBCKR-PGRDOPGGSA-N 440.504 1.195 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1706936825 CEOAWKKMPVRBJJ-MSOLQXFVSA-N 429.569 1.596 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(CCC#N)CC1CC1 1711419220 CDOMBWJGNGHDQS-UHFFFAOYSA-N 432.506 1.353 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1722297289 YXFIPHAOPUCTFA-AQEOSJORSA-N 439.582 1.274 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722315961 XFJRDXHDPSUSHH-DLBZAZTESA-N 446.552 1.763 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1722316139 CAMPGPJCOUEUEB-SQNIBIBYSA-N 439.582 1.276 30 10 IDEE C=C(Br)Cn1c(N2CCN(CCOC)CC2)nnc1[C@]1(OCC)CCOC1 1722488082 ATQCFFKQJVMWHW-SFHVURJKSA-N 444.374 1.607 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722493377 HOFUNRALHMWLRN-XHSDSOJGSA-N 425.555 1.021 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1722582842 KQAILUAPTMDHIM-AWEZNQCLSA-N 427.571 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722693822 BCYGLBJOLAKMTM-UHFFFAOYSA-N 436.538 1.009 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C1CC1 1722698047 BMIBMJPOBVOPBA-AWEZNQCLSA-N 435.575 1.713 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCOC2(CCOCC2)C1 1722700088 WEBGRRNZUGVMNU-UHFFFAOYSA-N 425.533 1.865 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)nn(C)c2C)nnc1[C@@]1(OCC)CCOC1 1722703858 JRNOXNJGZLMPHD-OAQYLSRUSA-N 431.541 1.219 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1722871558 XUISQZBDERYFCS-RDJZCZTQSA-N 434.504 1.865 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C)S(C)(=O)=O 1722874273 DYMDKWQNTQSFMH-KGLIPLIRSA-N 428.522 1.251 30 10 IDEE CC(C)=CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1723049486 SKSJIFFVDPFQHP-IRXDYDNUSA-N 435.536 1.962 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1740607439 QMXCYGKJROJPOW-UHFFFAOYSA-N 443.458 1.687 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(C)cc1 1740686654 VRZXMYXRLGZOSV-GOSISDBHSA-N 432.546 1.654 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2F)CC1 1740694289 FIPYAZIKKCHPMZ-SJLPKXTDSA-N 426.496 1.591 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(F)(F)F)CC1 1740696302 QHTHYQLXDZFVLT-AWEZNQCLSA-N 433.500 1.524 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2c(CC)nn(C)c2OC)CC1 1740701828 DDUPRLDMDUTIDV-UHFFFAOYSA-N 427.553 1.720 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)COC)CC1 1740704512 RDERSQIVMHALGC-MRXNPFEDSA-N 439.516 1.922 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740750012 JXZAXQCPNJKGPI-ZACQAIPSSA-N 439.582 1.365 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740839203 HKNMAYXULGCBQV-OALUTQOASA-N 435.594 1.841 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748812111 PZPYSBOVFYZHBW-ZWKOTPCHSA-N 431.562 1.870 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1748841924 BRHXLDKFXDIIRW-ZWKOTPCHSA-N 430.512 1.816 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCN2CCCC)CC1 1748971653 YIGVYOOZUJJOHX-NRFANRHFSA-N 441.624 1.924 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1748986658 GDHZGQHZCXFOBN-KRWDZBQOSA-N 440.552 1.746 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1748990834 MBPWIBBNFLGHMH-UHFFFAOYSA-N 428.562 1.191 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749043575 GRPZAQPTHDWEOK-UYAOXDASSA-N 426.590 1.787 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)CC1 1749342755 NKXWCUIQTNGNLU-SFHVURJKSA-N 437.610 1.429 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1F 1749669562 LUXUQGFETYIYPZ-HUUCEWRRSA-N 435.525 1.819 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)CC1 1749676460 QZECWDFPOFMZPR-UHFFFAOYSA-N 445.593 1.237 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1749736602 LZKMMAOEVYHINA-QGZVFWFLSA-N 431.562 1.445 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1750379770 HNHOBTYFBGGIFG-APPDUMDISA-N 438.389 1.723 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1750568663 BJKJRJRESAUEKD-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCN(CC)CC1 1760233080 QKRAQUIWINWNGY-SFHVURJKSA-N 441.580 1.739 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1760264455 ORRIMSVGJQNYSB-UHFFFAOYSA-N 431.504 1.153 30 10 IDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760283348 KETOXIUJSYKQNL-GOSISDBHSA-N 440.573 1.652 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760311863 CFLIVMOIIAVMLW-UHFFFAOYSA-N 436.376 1.583 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(F)(F)F 1760464775 OXDCCULXTACSCE-GFCCVEGCSA-N 443.517 1.529 30 10 IDEE CCn1cc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC)CCO2)cn1 1765302871 HNXDWGHPMPZSJL-IBGZPJMESA-N 434.504 1.747 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768810557 BHTAQMLKUXVQQQ-SGRLSNSRSA-N 437.504 1.263 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769195431 SJCBVXNOAMASTM-KRWDZBQOSA-N 438.536 1.390 30 10 IDEE CN1C[C@@H](CO[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)OCC1=O 1853360744 HCYJMZGYRREDFL-VQTJNVASSA-N 444.509 1.653 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@H]2C(=O)N2CCN(C(C)C)CC2)cc1 1853405607 RRBDYTJRAAUUAA-FQEVSTJZSA-N 429.565 1.566 30 10 IDEE COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854024127 RSFLODGHUFOJHW-UHFFFAOYSA-N 433.873 1.894 30 10 IDEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)CC1=O 1856505104 CTHPWSCTCUEREQ-ZDUSSCGKSA-N 444.435 1.053 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCN(C)C 1870500885 FJMCYMJVQRCQHR-UHFFFAOYSA-N 425.533 1.996 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2c(C(=O)O)n(C)c3ccc(OC)cc23)c1=O 1873495358 QJIGGJISCFWWOI-AWQFTUOYSA-N 445.457 1.113 30 10 IDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085659814 NDHYDOJORVDHKS-HNNXBMFYSA-N 434.346 1.774 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cc(Br)ccc2C#N)[C@@H](O)C1 2197488100 JTKDLPSUVMFLGI-KBXCAEBGSA-N 440.294 1.992 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390419 UZNMSJGGYGKLMA-NSHDSACASA-N 427.332 1.058 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2247801523 CQWJVFGJHWTBQR-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2255841829 IWFOVJOJIGIISE-OAHLLOKOSA-N 432.330 1.809 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256870178 VCIXOLGMWCQUHY-UHFFFAOYSA-N 428.298 1.026 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)[nH]n2)OC1(C)C 2267143302 GMXDRCRWZKIFHR-MOPGFXCFSA-N 438.337 1.434 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)o3)CO[C@H]2C1 2267194314 OYKCJPQVNDBYSZ-DZKIICNBSA-N 448.325 1.943 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCc2nccn2Cc2ccccc2)n1 2267536051 GGUFWODJRCPMMA-UHFFFAOYSA-N 436.325 1.332 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268655989 RPXGBTCXHRTUHN-SJLPKXTDSA-N 446.353 1.972 30 10 IDEE COc1[nH]c(=NC[C@H](CNC(=O)OC(C)(C)C)OC)ccc1B1OC(C)(C)C(C)(C)O1 2317604073 XCJNWQGFTRTGJS-CQSZACIVSA-N 437.346 1.763 30 10 IDEE CCOc1cc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1O 2322614628 IYQLERDHKIDIHK-GFCCVEGCSA-N 426.882 1.807 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2337062956 VOZWZAYRCGIAPM-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c1 14041792 ZTGKEEQMIDKUCP-UHFFFAOYSA-N 449.558 1.954 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cc(F)cc(F)c1 72444421 SIDULFZZZFBCKI-LSDHHAIUSA-N 443.410 1.615 30 10 IDEE O=C1CCCC(=O)N1CCS(=O)(=O)NCC#CCOc1cccc(Br)c1 90731417 NIEPHQWFINCOGP-UHFFFAOYSA-N 443.319 1.290 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)Cc2ccc(Br)s2)C1=O 427735244 QATKRWQYYMAFFF-UHFFFAOYSA-N 444.307 1.462 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447277546 IZXZESDKWCYHCP-UHFFFAOYSA-N 428.464 1.521 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 465393926 DCMPPBYZPYRELL-UHFFFAOYSA-N 434.474 1.264 30 10 IDEE COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489054544 PSSQRLIWFGSPFY-KRWDZBQOSA-N 435.527 1.648 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cccc(C(F)(F)F)n1 489208780 WOCNUEWNJKCFOR-GFCCVEGCSA-N 426.420 1.998 30 10 IDEE C=CCN1CC[C@H](N(C)c2cc(C)nc([C@@H](C)N(C)[C@@H]3CCN(CC=C)C3=O)n2)C1=O 500008442 BITCXEJCLWCGPN-QRVBRYPASA-N 426.565 1.788 30 10 IDEE CC(C)Cn1c(N)c(C(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)c(O)nc1=O 507785391 SDCDDBLFHSSSLO-UHFFFAOYSA-N 425.489 1.785 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508851317 YWKGOUNALZKPOI-CQSZACIVSA-N 438.579 1.295 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 513726992 CYXIAMMCXPWUAW-SFHVURJKSA-N 443.525 1.561 30 10 IDEE COc1cc(CNc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])ccc1C#N 568939909 UIRQGTFULVAFMY-UHFFFAOYSA-N 433.490 1.927 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 578215028 HWLGZNLZTCLLQQ-WIYYLYMNSA-N 435.532 1.724 30 10 IDEE CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1I 694963826 USODIOWQKRATRI-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OCC#N)cc2)C1 727679560 CHWDSRCGIITTQW-QGZVFWFLSA-N 432.502 1.911 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@@H]3CCCO3)c2=O)cn1 732560945 DCCVOWDPFOJWJF-SFHVURJKSA-N 449.536 1.447 30 10 IDEE COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccc(C#N)cc1 740214448 NEMZLWJQIMBONS-QGZVFWFLSA-N 434.426 1.243 30 10 IDEE CCOc1ccccc1N1C(=O)C(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760553682 VEQGPLCLQHEJMG-UHFFFAOYSA-N 434.456 1.427 30 10 IDEE C#CCn1ccc(CN(CCOC)Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)n1 789322248 FIGDZUFRWSSMFP-UHFFFAOYSA-N 426.546 1.999 30 10 IDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C[C@@H](C)O2 797775952 MBGAPHLPZQCBEJ-WHSLLNHNSA-N 435.546 1.690 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 805061823 NDXMWLXLRUIZPZ-INIZCTEOSA-N 443.548 1.993 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CSCc1cc(=O)n2ccsc2n1 916775926 JQOINKJIXDVFMM-UHFFFAOYSA-N 434.524 1.507 30 10 IDEE CO[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)OC(C)(C)C 1125203446 WVBLTBNDUOMWBR-GXPOEHQZSA-N 425.507 1.795 30 10 IDEE N#C[C@]12CN(C(=O)c3occc3CS(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1134428812 BVSXSHDIBWKSBD-HNAYVOBHSA-N 434.495 1.264 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2COc3ccc(O)cc3O2)c1 1136281359 BVFMNZFARBCDPC-LOFJQREMSA-N 431.470 1.984 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CCO[C@@H](C#N)C3)c2C(F)F)C1 1136626127 MCNKBIGWLNSNTJ-RYUDHWBXSA-N 426.424 1.762 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C1CCN(CC(F)(F)F)CC1 1142190906 JPSCKOFAAPTWLT-CYBMUJFWSA-N 432.468 1.710 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C)C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1154386185 BEHVAIBKULHYRQ-OPAMFIHVSA-N 446.552 1.711 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)C1 1158215378 CTMIUUNNZCVKOD-CYBMUJFWSA-N 448.574 1.528 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2)c1cc[nH]n1 1158929700 MOOFRNVSMPMXIT-NRFANRHFSA-N 449.508 1.696 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 1163021373 OROJBHIMJUBXAX-BSIFCXSSSA-N 426.542 1.687 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1 1164643394 GZGIJXXRRLQYMZ-UYAOXDASSA-N 426.517 1.670 30 10 IDEE CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1 1168455363 NYCPWDGBKZVAND-CYBMUJFWSA-N 432.468 1.600 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1255059912 ATNVLVCMJIVRDU-QFIPXVFZSA-N 444.536 1.811 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC[C@@H](CCC(=O)OC)O2)c1 1264809467 HGDCGYMCKMNLPC-VQTJNVASSA-N 428.485 1.361 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286325547 VZCJCMVCSFNHMS-FQEVSTJZSA-N 430.597 1.966 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1286376668 NBVBORQQRPANQD-GBESFXJTSA-N 429.546 1.484 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286397211 YECVXORGMFPPIW-KZNAEPCWSA-N 436.578 1.614 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1286448610 ZELFEBZFIMCIOO-AWEZNQCLSA-N 443.982 1.834 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286554427 HITOMWHTNLFDSM-ZJOUEHCJSA-N 440.548 1.971 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 1286682963 GECVMIDBZNLTKR-INIZCTEOSA-N 434.570 1.361 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1286701407 ZMJCMBVMVPEWKX-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC(N)=O)c2)C1 1286804399 KYICBRUBBLGDEI-LJQANCHMSA-N 437.504 1.372 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@H]2CCOC2)cn1 1286970648 PXQHVTQSXJWDIB-SJORKVTESA-N 426.525 1.397 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1288517558 DGACSBKJBFYQRO-ZDUSSCGKSA-N 436.538 1.957 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNc1ccccn1 1288825456 FGZOXVZXRAUNRS-KSSFIOAISA-N 436.517 1.227 30 10 IDEE CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1292221392 AOAPWIMDDXULTB-XJKSGUPXSA-N 446.533 1.140 30 10 IDEE CN(C[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1298553291 ABIOSDCKUGGAGY-CRAIPNDOSA-N 448.549 1.750 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1298926852 FCXAXXWUICOIOS-GJZGRUSLSA-N 446.577 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCC(F)(F)F)CC1 1300729296 UOVSTERIHSGQLG-UHFFFAOYSA-N 440.470 1.709 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCOCCS(C)(=O)=O 1300807012 DDQXUBGJISJSAR-LJQANCHMSA-N 437.591 1.687 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1300997753 YOTPQQNSIGOFAD-UHFFFAOYSA-N 442.520 1.549 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1301953393 RCRXBEXMGXNWKI-IAGOWNOFSA-N 448.535 1.924 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC(C)(C)O1 1305153456 CPFCWYYDHCOMQS-OAHLLOKOSA-N 432.550 1.712 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1307818415 FWIPSYUTYWHCHU-RDJZCZTQSA-N 431.541 1.891 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 1311890425 XFIZLTRFNDQFNC-CQSZACIVSA-N 432.468 1.431 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2Cl)CCOC1 1314137191 ACWWEVVQDKULQW-MGPUTAFESA-N 448.911 1.786 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCCCCCO)cc1 1316533215 IEJNBZCQQJRUNH-SFHVURJKSA-N 440.504 1.922 30 10 IDEE C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cc(F)ccc1N1CCC(O)CC1 1332014379 CPRLWTAHVIVWCF-MOHKDSSBSA-N 430.480 1.881 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(COCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1358957585 WRRJKAVVJRJZCS-HXUWFJFHSA-N 432.546 1.425 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358967035 BYRHUDCRXXVZEN-RTBURBONSA-N 437.610 1.562 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCO[C@@H]2C)n1 1359027726 UJRZFYGVKFJIQW-VGOFRKELSA-N 439.520 1.296 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cnn(C)c2)CC1 1359046173 HIEZWIFWZVRTJU-UHFFFAOYSA-N 435.507 1.756 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359132878 HKLDCEJGZOLTQD-KRWDZBQOSA-N 427.571 1.237 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359299526 HGXYJFGXFVENSY-MRXNPFEDSA-N 428.493 1.030 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1359471957 CNLCBMJGDHDOSM-YJBOKZPZSA-N 441.511 1.849 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CN1CCOCC1 1360602744 QMEMONNJGNLEDM-INIZCTEOSA-N 425.537 1.905 30 10 IDEE C#CCN(C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)[C@H]1CCS(=O)(=O)C1 1435069879 TVEWSKXZHFMYAG-ZFWWWQNUSA-N 426.288 1.180 30 10 IDEE C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCN(C(=O)CC#N)CC1 1460120137 AVMWYPGPUKZNLU-HNNXBMFYSA-N 430.464 1.847 30 10 IDEE C#Cc1ccc(S(=O)(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1464487272 NUBDWIUDPKEDAM-KRWDZBQOSA-N 442.559 1.370 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1 1466318363 UTWZSPZUKVDXDT-RBSFLKMASA-N 425.482 1.527 30 10 IDEE CN1CCC(N(CCO)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1469563883 CHQUMHFVXGZJSK-UHFFFAOYSA-N 436.578 1.201 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](CC)[C@@](F)(C(=O)OCC)C2)s1 1471804926 IWYAISRYXYTIBP-SCLBCKFNSA-N 432.539 1.895 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1472049959 INEUEILDLMKDCX-MRXNPFEDSA-N 436.534 1.960 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc2ccccc23)CC1 1475623200 UYTGXYRPPJPONA-UHFFFAOYSA-N 433.511 1.360 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1475697761 QGXBOVAATBYACS-UHFFFAOYSA-N 425.576 1.237 30 10 IDEE CCOC1CC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1502937435 CWNXGZZNVXOQAA-ZUHIPDPLSA-N 445.568 1.095 30 10 IDEE CNC(=O)CCCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1503795056 BIGDONGAPBYCAH-UHFFFAOYSA-N 432.488 1.992 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1505073058 OUFUUNUDEAASBX-IUVQAAGXSA-N 441.529 1.411 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)NC(C)C 1505079870 BSJUTUTVBPTUQO-HQRMLTQVSA-N 445.568 1.093 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 1507617475 UQERMHAGSYQMPT-ZNMIVQPWSA-N 449.499 1.974 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)CCC 1507648249 MIBKSPLWSDVIKX-UHFFFAOYSA-N 431.544 1.997 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1507650882 WLCHVSVPWPEWHT-SIKLNZKXSA-N 429.590 1.453 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](COC)OC 1507664819 GMWCSDSRUVPGBO-KRWDZBQOSA-N 444.561 1.363 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2cc(C)nn2C)n1 1507717273 TWIOUFUJUZEZRI-UHFFFAOYSA-N 447.547 1.857 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1507718104 BLFBBAFJVDEDMT-ZJSXRUAMSA-N 444.624 1.948 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC=C(C)C)CC1 1507739496 QLRKLCXHEMWRNV-GOSISDBHSA-N 433.578 1.502 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1507795043 BDMUVLVOMQOQRA-HBFSDRIKSA-N 433.553 1.448 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508147402 JTOOHHMDZZUPPQ-QGZVFWFLSA-N 448.593 1.261 30 10 IDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508734761 BILOPWVCXSOPKO-UHFFFAOYSA-N 446.515 1.408 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCN(C)C(C)C)CCOC1 1509819041 PTOTWUDPALJFAJ-REWPJTCUSA-N 445.612 1.835 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCN(C)C(C)(C)C2)n1 1511677262 BEXGWNGQNSRQPC-QGZVFWFLSA-N 427.601 1.762 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCCCC1 1513970565 FYDRKTZPYIVGAX-IBGZPJMESA-N 435.532 1.934 30 10 IDEE CCCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1514542836 WOFREIRVZIFYKE-INIZCTEOSA-N 437.504 1.737 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1515777766 YURGLDSHYUQBSV-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1519377451 VOLXQOOFPFNTGH-IGGDJGDASA-N 430.509 1.314 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(C#N)n1 1531381191 UMEOWSMIKZRNCG-OCCSQVGLSA-N 426.395 1.947 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1539126099 RXTFHTZEWYSWJB-DLBZAZTESA-N 441.623 1.602 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1539126561 YGQAPWGFUCKBJO-ROUUACIJSA-N 435.594 1.582 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539223213 ZMVBHNDVTRPAKS-AZUAARDMSA-N 449.621 1.673 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1539462477 VJIYEEDRHMLNNS-QFIPXVFZSA-N 442.951 1.744 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1539488874 DLVCQIYMHRFCKS-GOSISDBHSA-N 446.621 1.869 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CC(=O)N1CCOCC1 1539569010 HMMWDMIFYBOYFR-JOCHJYFZSA-N 427.480 1.847 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC)CC1 1540028268 MYFXYMNCBYAOPB-UHFFFAOYSA-N 428.493 1.728 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1540862031 OWHFBLKGRVWNOA-HSZRJFAPSA-N 438.532 1.223 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1540870591 QUJKFDZAVBOTBU-RDJZCZTQSA-N 444.540 1.397 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@]2(CCOC2)C1 1540902334 HFVYQHMGGADEJM-VQIMIIECSA-N 426.539 1.116 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1540964331 DRBLQTDXQRCPFI-UHFFFAOYSA-N 439.589 1.924 30 10 IDEE CC(C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1541689497 YZDVYOMXFUUNEO-GOSISDBHSA-N 438.536 1.290 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cs1 1542909030 SAWZHPGRVHLXAS-MRXNPFEDSA-N 449.606 1.655 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)CC1 1554435323 RROHDEXUVVNBDV-UHFFFAOYSA-N 435.488 1.962 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCC(=O)N3)n1CCCOC(F)F)C2 1555988346 XXZWPGABMTYQKZ-CQSZACIVSA-N 433.419 1.393 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)C)cc1 1556767566 SYNKJZMPMFCVSI-FQEVSTJZSA-N 444.509 1.596 30 10 IDEE CCN(CC)S(=O)(=O)CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1557389567 GKMWFEZANDOAAS-UHFFFAOYSA-N 430.534 1.269 30 10 IDEE N#Cc1cc(C(=O)N2CCN(c3ncc(I)cn3)CC2)cs1 1557851813 NEUSKKCOPUXJIC-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE CCOC(=O)C1(CC(F)F)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1559045582 IJKWZCHGJMJMNL-UHFFFAOYSA-N 443.472 1.664 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1587568886 SJIDVBNTYLKWHW-KKSFZXQISA-N 447.561 1.345 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1587620235 BWACHQWOTOVNKQ-IAGOWNOFSA-N 436.516 1.846 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1587979048 HJVYQQDSCQDUCO-AWEZNQCLSA-N 426.502 1.631 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1588045088 GUJVZUVVKHBJCI-QGZVFWFLSA-N 442.520 1.976 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1588120555 PPDSLIVNACDXBJ-UHFFFAOYSA-N 430.512 1.872 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC 1588481441 IUSJPIUONOIADO-UHFFFAOYSA-N 438.463 1.921 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1588885237 SXMWJIRZFSONPY-UHFFFAOYSA-N 443.573 1.841 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@]1(OCC)CCOC1 1589124962 FUWFGOJZDNMPOQ-UTKZUKDTSA-N 435.594 1.792 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1594732223 AAFYYYGMOLYYJG-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCNS(=O)(=O)CC 1594885720 NBMYHFKJLLDVFU-UHFFFAOYSA-N 445.387 1.998 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1595251348 RNGOEANXFFQTJV-GOSISDBHSA-N 435.488 1.600 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1595466794 NCLVRYZFYQOIGD-QFIPXVFZSA-N 442.495 1.053 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Nc2cccnn2)CC1 1595529831 JFYBFADEQNZVJA-UHFFFAOYSA-N 433.520 1.822 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1595684012 XINITSYBWJIRAF-IBGZPJMESA-N 444.513 1.663 30 10 IDEE C=CCC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1596593408 OUMLADUFJLVLAV-BRWVUGGUSA-N 442.578 1.586 30 10 IDEE CC(C)Cc1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603553634 HWBXOJURPBCCKU-VZCXRCSSSA-N 437.504 1.666 30 10 IDEE CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H](O)CNC(=O)OC(C)(C)C 1618048990 XSTUPZDLQIPLCY-QGZVFWFLSA-N 443.466 1.991 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1623692280 AZTHORMRVQXYAD-ZBFHGGJFSA-N 443.935 1.376 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 1626598515 SMHZUIAKGMUJBD-KSFYIVLOSA-N 444.488 1.800 30 10 IDEE Cn1cc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c(I)n1 1627133234 WOOMPHFVXYANJW-UHFFFAOYSA-N 433.213 1.917 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CC(CN3CCN(C)CC3)C2)nnc1-c1ccco1 1628386959 BBBJOURMWLBQNP-UHFFFAOYSA-N 430.578 1.912 30 10 IDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1630480798 HWHVGRYDEYWZHZ-UHFFFAOYSA-N 430.482 1.771 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(C3(C)OCCO3)cc2)cc1S(=O)(=O)NCC#N 1631764687 PWUKMKWHJSAVOM-UHFFFAOYSA-N 429.498 1.946 30 10 IDEE C=CCN(C)CCN(CC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1634647041 VOBRHZZEKHJKPJ-KURKYZTESA-N 443.610 1.623 30 10 IDEE C=CCCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1634878864 GPTSDYZJMNNUPO-INIZCTEOSA-N 428.482 1.474 30 10 IDEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1cncc(C#N)c1 1635325826 JWSUJIPXANQLGW-HXUWFJFHSA-N 444.513 1.734 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OCC 1635606436 IDFGSZRKAUEXHF-SSDOTTSWSA-N 444.511 1.994 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)s1 1637036030 ZYJVJOZKXJGZPT-IBGZPJMESA-N 435.527 1.101 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)cc1 1640969367 SQOXKRFMTBYRFW-UHFFFAOYSA-N 437.481 1.748 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3cnc(I)c(O)c3)C2)nc1 1641702359 IRZLZBJVIZNELF-LBPRGKRZSA-N 436.209 1.952 30 10 IDEE N#Cc1cccc([C@@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C(F)(F)F)c1 1643304177 DVZXRGHFQMMDHE-PKOBYXMFSA-N 438.450 1.991 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCNC3=O)cc2)c1 1643723818 JXZWVGWPYWOALX-UHFFFAOYSA-N 425.510 1.939 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)CC1 1650845940 BSDYVXAOBRQIKK-SXWKCWPCSA-N 445.585 1.656 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1652432139 MSKOQLHRSLVBFY-JKSUJKDBSA-N 436.534 1.646 30 10 IDEE C#Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 1666431106 DSVOAGNENSKPNC-SFHVURJKSA-N 447.538 1.455 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CCN(C2CCOCC2)CC1 1683926642 XATRWYWPZVKQEJ-QGZVFWFLSA-N 427.553 1.459 30 10 IDEE C#CCN(C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1684179896 LDUZMYDGAMWYOG-QANKJYHBSA-N 425.457 1.069 30 10 IDEE CSc1ccc(CNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1C#N 1687595109 UJEJYRMOZNKLPI-AWEZNQCLSA-N 425.557 1.976 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(S(C)(=O)=O)cc1 1689848458 VVSNTWHJHSSPQG-AWEZNQCLSA-N 441.513 1.916 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1689901081 ARJKBRNWNJFKMQ-INIZCTEOSA-N 441.561 1.629 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1689907642 GMLMJQTTXMVORK-KRWDZBQOSA-N 436.582 1.035 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1690013504 RIJRZJDXEAMXPN-SFHVURJKSA-N 446.511 1.553 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCn2cnnn2)c1 1698485854 OGDDGPYLXQTRTD-UHFFFAOYSA-N 428.451 1.281 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705523721 WUKVMEQZXCNCDQ-IEBWSBKVSA-N 439.516 1.921 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)CC1 1705531562 OAOVVQVHOVMEBG-UHFFFAOYSA-N 445.593 1.420 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705538316 JORKEVHHNNTPJW-UHFFFAOYSA-N 426.525 1.218 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705538482 QANUEMFTYTVVIM-QGZVFWFLSA-N 438.536 1.212 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1705570343 PBEZWHAJEUWXPW-KRWDZBQOSA-N 442.607 1.072 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1705582920 MGODEJWYBZIRHX-SFHVURJKSA-N 440.525 1.463 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@](=O)CC)CC1 1705645839 HHRHTZGKLWDVPR-SSEXGKCCSA-N 448.980 1.728 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705927949 JGNWHPCILMTQBN-OKILXGFUSA-N 433.525 1.745 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC(C)(OC)C1 1705937214 MRPXXEFENWLRGF-UHFFFAOYSA-N 430.534 1.343 30 10 IDEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1707623737 OLQYFCBQLUQARB-SFHVURJKSA-N 437.504 1.894 30 10 IDEE Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707886500 VWBAAYMXCYVUOS-ZCXUNETKSA-N 430.900 1.804 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCC(C#N)CC1 1710901992 DIWMTSODVOZXBD-UHFFFAOYSA-N 432.550 1.557 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1710989331 IBBVAKPZQZWHIL-GOSISDBHSA-N 437.548 1.454 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1712594623 ROZUGZNLCKVFPG-IBGZPJMESA-N 440.504 1.901 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CCCO 1722284058 YTLAVOYHOFTTKU-MJGOQNOKSA-N 445.589 1.653 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCN(C(C)C)CC1 1722356535 HWKBKVNCXQUPEA-UHFFFAOYSA-N 430.578 1.574 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722366349 HZOCJIBSPTYSPE-JWIGPWBQSA-N 428.624 1.651 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1722368005 OGJGZBKMICVCTF-SFHVURJKSA-N 433.578 1.575 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCn2ccnn2)CC1 1722431458 PIAMHRZPWVMJBE-SFHVURJKSA-N 438.511 1.994 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NC(C)(C)C)CC1 1722447454 IASZTOFZWUBOQV-KRWDZBQOSA-N 430.553 1.053 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722464551 JLQSAFYOCQRICF-WDSOQIARSA-N 430.578 1.545 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722628009 QNHKIBJQVHZPJU-JKSUJKDBSA-N 445.524 1.906 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722632818 JIQULAPNXMSHCZ-QGZVFWFLSA-N 441.351 1.879 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCN(C)C1 1722674663 SBTVQUPNYVKHKZ-QFIPXVFZSA-N 428.537 1.295 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1722725626 PJUKNPZVTOYYPJ-UHFFFAOYSA-N 433.509 1.496 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCCC4)n3CCC(=O)N(C)C)CC2)c1C#N 1725865670 AJSZHNDBSDJWCL-UHFFFAOYSA-N 439.568 1.654 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1726765915 PFBAACHSAWFDAO-OYHNWAKOSA-N 426.521 1.708 30 10 IDEE CCOC(=O)N(C)C1CCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1728692947 ANECDTFZHPPHFC-VHEBQXMUSA-N 445.524 1.424 30 10 IDEE COC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1730586484 UPSKMDVYPWWSEY-WMLDXEAASA-N 437.460 1.678 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740623102 OEMSKJQMAZQLDE-SFHVURJKSA-N 436.578 1.494 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnn(CCOC)c2)CC1 1740699690 PMWMIPRSQZNHHU-UHFFFAOYSA-N 449.559 1.812 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2nccs2)CC1 1740706585 XAWPCMPCYLGTRV-GDBMZVCRSA-N 441.561 1.455 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1740706829 FILJVFXBYKYHJK-GHTZIAJQSA-N 436.560 1.781 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740750843 FYYHONUDKGCEHG-QYZOEREBSA-N 446.596 1.946 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2C[C@H]1CO2 1740863610 BOUJSBPHZWJLCW-YESZJQIVSA-N 425.555 1.335 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740965389 IKLYMLOMDOJZOD-BUGKNKSWSA-N 449.552 1.077 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740966445 SSIZAFUJTSJRDG-GOSISDBHSA-N 442.520 1.604 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1741147223 SMIPNPCADCHBDN-UHFFFAOYSA-N 438.532 1.948 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1741804465 CXDBWJSCBSRZGR-MRXNPFEDSA-N 430.534 1.613 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1745335282 DTUUNTDKEAMDFM-GOSISDBHSA-N 432.550 1.761 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCC1 1747129973 KZSDNUYJTFXWAH-UHFFFAOYSA-N 446.533 1.317 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1CC 1748664351 GEJVMIPWZKMVPT-OAHLLOKOSA-N 431.504 1.793 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748819892 UFSBSHSAESYIHN-RBUKOAKNSA-N 444.532 1.980 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1749119052 MQPDDFVIKMYXNY-IKGGRYGDSA-N 439.582 1.629 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749230028 SUFWQQLLZMXWMC-LJQANCHMSA-N 434.585 1.759 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749434474 UJYIHYOUFXFVIT-UHFFFAOYSA-N 449.563 1.926 30 10 IDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749498829 JZXDXDRJHJZCJZ-SFHVURJKSA-N 433.578 1.976 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(C)C)c1 1749666052 FMTXNNAMLVCYPS-GOSISDBHSA-N 426.521 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749730459 FLLDLUGGEWHBHD-UHFFFAOYSA-N 447.565 1.212 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1750203772 RTGJNCRSVOBRLN-MSOLQXFVSA-N 437.529 1.913 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1760175501 KWYZOLDPYSBPQT-SFHVURJKSA-N 431.562 1.238 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1 1760209185 YAHCNNORBZKKRZ-UHFFFAOYSA-N 441.557 1.472 30 10 IDEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760351537 GYIZOYZHPLNFMH-LJQANCHMSA-N 445.520 1.506 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 1760402138 UQNRAEGBCXJBQZ-SFHVURJKSA-N 444.561 1.610 30 10 IDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760437962 UDFHOWDPLQAVBY-INIZCTEOSA-N 437.504 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760519283 YMTAEPJGGZEXCC-UHFFFAOYSA-N 442.520 1.224 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCCCC2)n1 1762458440 HRANNURMJXBRCW-PXNSSMCTSA-N 426.569 1.991 30 10 IDEE CCCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1764093484 FEPUMRBNMDEJDX-NRFANRHFSA-N 447.561 1.905 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1nccnc1C 1766396158 HTXKYIQNKXKPGC-UHFFFAOYSA-N 433.520 1.749 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H]1C 1767944114 ZQAAILPPIXVCPZ-HNNXBMFYSA-N 437.504 1.620 30 10 IDEE CN(C)c1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1768494730 SYMJOMMKIOXVNO-LAUBAEHRSA-N 446.552 1.931 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1770217479 NWZVNZAXEZRGGA-NMLBUPMWSA-N 448.568 1.088 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 1772567135 OUGRVQPIPJPCLC-INIZCTEOSA-N 446.581 1.699 30 10 IDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCC(Cn2ccc(=O)n(C)c2=O)CC1 1851273232 CVGYTJYZPWMVMW-UHFFFAOYSA-N 431.924 1.974 30 10 IDEE N#Cc1ccc([C@H](CC(=O)NCC(=O)N2CCOCC2)N2Cc3ccccc3C2=O)cc1 1851743650 XQRYNHHLFIKBGB-NRFANRHFSA-N 432.480 1.620 30 10 IDEE N#Cc1ccccc1OC[C@@H](CS(=O)(=O)c1ccccc1)OCC(=O)N1CCOCC1 1852224572 MGTUJAMYDDTSFN-IBGZPJMESA-N 444.509 1.655 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2cc(=O)n3ccsc3n2)cc1 1852812864 UOSHILOCXVAWND-LJQANCHMSA-N 426.498 1.924 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCN(C)C1=O 1852959782 ILQYQDSERXEBMV-DLBZAZTESA-N 425.938 1.738 30 10 IDEE Cc1ccc(N2C[C@@H](C(=N)NOCCC(=O)N3CCN(CCC#N)CC3)CC2=O)cc1 1853596454 CMUIMARQOJYXIS-SFHVURJKSA-N 426.521 1.294 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)C(=O)C1 1854556745 PQVFPCOAGBTKNQ-LJQANCHMSA-N 431.901 1.996 30 10 IDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1 1856267585 XKNISHJLRGMVJP-JKSUJKDBSA-N 431.514 1.269 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc4cnccc4c3)C2)CC1 1857042126 RZIMSNVTPGGELC-IBGZPJMESA-N 426.498 1.789 30 10 IDEE CCN1CCN(S(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)CC1 1859529394 IKILJUZYFYWTTD-UHFFFAOYSA-N 426.542 1.857 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NC[C@@H](C)NC(C)=O)c(C(=O)OCC)c1C 1860761600 ZUBYPUDJJHCNFC-SNVBAGLBSA-N 439.490 1.155 30 10 IDEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862593200 QCILNAGQEGUHLO-IBGZPJMESA-N 438.436 1.893 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1=O 1874341701 QEZIFHHKTSPQGF-VDLQQMNMSA-N 434.478 1.583 30 10 IDEE C#CCOC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892096570 NHQIPARAZZWGJR-IBGZPJMESA-N 435.502 1.779 30 10 IDEE Cn1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nncs2)cn1 2033813737 UVSDYJYVTOOBDR-OAHLLOKOSA-N 425.426 1.826 30 10 IDEE COC1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CN(C(=O)OC(C)(C)C)C1 2085657219 RJZGHHYPOAZWHL-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 2247570595 AHPWYQGDPZGFMJ-XNROWMOSSA-N 437.537 1.780 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248401175 GDNUZZXIPOEORG-YPMHNXCESA-N 441.359 1.333 30 10 IDEE CC[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248478965 AJLVCJWGPZSXGL-NSPYISDASA-N 438.359 1.891 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2256614922 QIDURGSJMZKKIP-UHFFFAOYSA-N 436.314 1.839 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c1B1OC(C)(C)C(C)(C)O1 2267003669 RZTFRGWSKLMWNG-HNNXBMFYSA-N 446.357 1.991 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC12CN(C(=O)OC(C)(C)C)C2 2267499114 ZMQQETNSEVBVQQ-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c2)OC1(C)C 2267583054 MGSJHODQNKRZSH-UHFFFAOYSA-N 438.381 1.862 30 10 IDEE CO[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267592492 MZLXUCLVCJNXCS-CVEARBPZSA-N 447.341 1.745 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2267596048 LGFCBWGAJMPLNH-WBVHZDCISA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267606874 FDSVAEXUALGHGB-SJLPKXTDSA-N 446.353 1.943 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268629730 ALJKQFZAEYNFAF-SFHVURJKSA-N 446.353 1.756 30 10 IDEE COc1ccc(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2317458013 JXTWRBMRPBIYFG-HNNXBMFYSA-N 436.314 1.819 30 10 IDEE O=S1(=O)CC[C@H](NN=Cc2cc(Br)c(O)c(Br)c2O)C1 2320842319 QTKNONHUHHXKJF-ZETCQYMHSA-N 428.102 1.733 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)O)[nH]c3ccc(OC)cc23)c1=O 2321656137 FEFFDAOHMAUQDM-UHFFFAOYSA-N 431.430 1.103 30 10 IDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2367809212 LAOJEIVLVXCHMD-UGKGYDQZSA-N 434.558 1.709 30 10 IDEE O=C1O[C@H]([C@H](O)CO)C(=N/Nc2ccc([N+](=O)[O-])cc2)/C1=N/Nc1ccc([N+](=O)[O-])cc1 15775031 YUUFLFHZQBBXNY-ZJRXBFNJSA-N 444.360 1.018 30 10 IDEE COc1ccc(N/C(=N\C(=O)c2ccc3c(c2)OCO3)NCCN2CCOCC2)cc1 46134336 VMWJAYNNCMMTJF-UHFFFAOYSA-N 426.473 1.954 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 437935019 QXOZXMWBZAUELH-SBHAEUEKSA-N 444.580 1.532 30 10 IDEE Cn1cnc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 448055951 KDVJQRSOKBDVRQ-UHFFFAOYSA-N 445.526 1.140 30 10 IDEE COCCN1CCC[C@H]1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 477119699 YGJYPRVAXAQPIX-SFHVURJKSA-N 443.527 1.808 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 480118271 PPSCGQLJDCEZQS-KDOFPFPSSA-N 444.538 1.765 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 508476885 HYIXNQIRSBFTAP-GOSISDBHSA-N 433.534 1.204 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 509724977 QXXVGNHLMKJTGT-QGZVFWFLSA-N 429.502 1.498 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CCN1Cc1ccccc1 511805460 GDZMMPVSDLDUIY-XODKDNOYSA-N 427.574 1.949 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518720970 IBRQBEKVYPOGIH-UHFFFAOYSA-N 441.553 1.377 30 10 IDEE CS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 544832402 DWKFKPAMNDPINE-UHFFFAOYSA-N 425.514 1.628 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C3CC3)n2C[C@H]2CCOC2)CC1 555479074 MJTQQHZBUGQZLF-MRXNPFEDSA-N 442.545 1.575 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 575818972 CHGIKYIVSCFMJH-INIZCTEOSA-N 433.578 1.915 30 10 IDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 580380255 AKJFREJCYAHUSF-LBPRGKRZSA-N 434.547 1.165 30 10 IDEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 583150386 LMSQEZUHXXOBFZ-QUCCMNQESA-N 434.468 1.676 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1F 609450386 QVHACQVPFSADTJ-INIZCTEOSA-N 427.501 1.318 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1Cc1ccccc1 610004063 VAYJJIWYDXRHAD-UHFFFAOYSA-N 445.544 1.921 30 10 IDEE C#CCN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)[C@H]1CCS(=O)(=O)C1 729331276 ATLFPGZOJWBJNQ-ZDUSSCGKSA-N 447.563 1.835 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2ccc(OCC#N)cc2)[C@H](C)O)cc1C 733375829 JKXLFWSJBWQWOV-OXJNMPFZSA-N 432.498 1.977 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C(C1CC1)C1CC1 734827886 LIJNWCOTDHBZLW-UHFFFAOYSA-N 445.548 1.724 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3OCC)n(C)c2=O)cn1 735069600 XORNOWOVRVXTAC-UHFFFAOYSA-N 437.525 1.594 30 10 IDEE Cc1ncc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)s1 737254664 WGOLVDYYBRFHTO-JWGURIENSA-N 435.531 1.519 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)cc1C#N 747496669 OOERLPZYRSNEFN-UHFFFAOYSA-N 436.468 1.603 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc21 760406571 RGWPXMMBWAOPPV-UHFFFAOYSA-N 446.529 1.245 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(C)(C)S(C)(=O)=O 765275373 ORVVJBSFAQEALM-OAHLLOKOSA-N 443.591 1.566 30 10 IDEE Cc1nn(C)c(C)c1[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 769701903 ZWQZJSQPSNWLCJ-HNNXBMFYSA-N 429.424 1.495 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 769721631 ARCJYPAMSTVVKI-BHTHQVBYSA-N 449.257 1.787 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)CC=C)cc1)[C@@H]1CCS(=O)(=O)C1 774034924 IZZVOMZFTRHTPP-MRXNPFEDSA-N 425.532 1.147 30 10 IDEE C#CCN(C(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 774195866 DMQNWRDHECMKKA-FXAWDEMLSA-N 446.573 1.836 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783956140 FBHRBAFMAZDNQO-UHFFFAOYSA-N 437.550 1.210 30 10 IDEE CCOC(=O)c1ccc(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 784238622 QUTHCDMWZFAMGF-CQSZACIVSA-N 444.465 1.828 30 10 IDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)c1ccc2c(c1)OCO2 787725685 ASUJJTADVQSEMY-BUXKBTBVSA-N 431.470 1.082 30 10 IDEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 792743921 CXBFXOQLBKSJJF-SJORKVTESA-N 429.546 1.197 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1 799088125 VLIDXJVZJCDDBX-OXQOHEQNSA-N 425.510 1.518 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 803611362 GMUHCNDCCIWNKK-SFHVURJKSA-N 436.530 1.931 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 804162751 QXPWNZOTUOKLGI-GUYCJALGSA-N 434.468 1.454 30 10 IDEE Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806906449 CJXIMUCKAQNNEX-MRCUWXFGSA-N 439.516 1.957 30 10 IDEE C#CCCS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 810784014 OQRKWCKFJJTVRM-CQSZACIVSA-N 449.348 1.072 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cccnc3C#N)CC2)o1 813166670 DWYLFYGTYPZWLI-UHFFFAOYSA-N 447.469 1.867 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@@H]1CCCO1 818219223 DIJUHTVBBKGLIY-SFHVURJKSA-N 446.532 1.419 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC)cc2)c1 918568805 IPPVTZMALBVGLO-HXUWFJFHSA-N 441.509 1.850 30 10 IDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1126549209 BXZNFKXUBTXACE-QFIPXVFZSA-N 429.440 1.604 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1126897743 RDTOQPWGOHOLFF-BMEPFDOTSA-N 444.285 1.623 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc4c(=O)cc[nH]c4c3)C2=O)cc1 1139466722 KJMPIUFMRVBFNR-GOSISDBHSA-N 429.436 1.921 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1168954706 DLMZOLQBYQNCOU-RTBURBONSA-N 444.561 1.660 30 10 IDEE CO[C@@H]1COCC[C@@H]1CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1228753273 ISDANJRCKZIOEA-OXQOHEQNSA-N 426.521 1.918 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1253779828 UMOOQTXNCBGCRU-IBGZPJMESA-N 444.557 1.988 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1286296658 QODNWAFPCFEMAZ-CABCVRRESA-N 425.555 1.553 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1286376844 OSSQQFFMEGOSDR-QZTJIDSGSA-N 444.561 1.196 30 10 IDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286376889 PQGRBDNRANKSET-MAUKXSAKSA-N 431.518 1.142 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)C(=O)NCC2 1286432551 OKHORXDCRPZKTR-UHFFFAOYSA-N 441.539 1.937 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2CC=CCO2)n1 1286471271 KHJUZTXRLYSHJJ-HXUWFJFHSA-N 436.520 1.506 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2snnc2C)CC1 1286488686 QXGWOQWVLNRHCE-HNNXBMFYSA-N 447.565 1.176 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1286503530 BTEUDGWRJIEXDL-UHFFFAOYSA-N 427.578 1.902 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)OC)C1 1286564492 VRJZTXLRGIPHDX-GFEQUFNTSA-N 434.537 1.983 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1286786079 MZEVPGSTJGPJBV-XWCIJXRUSA-N 427.336 1.552 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286820984 XCEBNTUNLDAZHR-SFHVURJKSA-N 439.626 1.626 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC(F)F 1291601225 DOXNCTXJURPNOH-AWEZNQCLSA-N 432.479 1.766 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1299484431 SDDLHGFIBJKIMF-WOJBJXKFSA-N 430.464 1.982 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1300077133 LSRQGMMAHHCVIW-GVDBMIGSSA-N 429.477 1.231 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1300431946 PMEPXWKFEQGPSS-JOCHJYFZSA-N 426.521 1.280 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1300498380 JVDRFAMYEARUKX-WIYYLYMNSA-N 431.562 1.442 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300501375 KWNVLTOHVSRCNW-UYAOXDASSA-N 449.621 1.358 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1300504630 PGIMQMTXIGFJOQ-KRWDZBQOSA-N 448.520 1.659 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1300556796 MCUZGNYHGJFPFS-HNNXBMFYSA-N 434.591 1.613 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1300579561 WZXWQJUBKORBQJ-QYZOEREBSA-N 433.578 1.510 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(=O)(=O)CC 1300889049 ANBHSAFTIWIDBY-QFBILLFUSA-N 439.582 1.253 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1300972551 MOTGOAIRHAKQAS-UHFFFAOYSA-N 447.584 1.737 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(C)c2)C1 1301554966 QLWDRPAOSZBEKB-OALUTQOASA-N 438.532 1.749 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(=O)N(C)C 1302105779 HSVRWHMYKHIIJF-APWZRJJASA-N 442.520 1.540 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N1CCOCC1 1302954396 MWAWPMITOHXWOO-IBGZPJMESA-N 438.580 1.791 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCCCCCO)cc1 1302991362 GHJZZFHIOUZDME-ICSRJNTNSA-N 438.532 1.996 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)N(C)C 1303737805 QIKHMYFSUDSNRD-KSFYIVLOSA-N 439.520 1.710 30 10 IDEE Cc1ccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)o1 1304322716 LCOAMUCJIFSUGX-UHFFFAOYSA-N 430.490 1.831 30 10 IDEE CCN(CC1CC1)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1313763475 NYZFSFKPJPQBDS-MRCUWXFGSA-N 438.536 1.902 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)C1 1314008296 FUGIQOHGTNBMLL-QAPCUYQASA-N 448.549 1.282 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)C1 1315095262 LSVJELMNUQQFPA-HXUWFJFHSA-N 438.532 1.928 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCC[C@H](O)C1 1316205508 GMNGCQRYNLBZNL-LFGUQSLTSA-N 432.569 1.730 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3c(F)cccc3NS(C)(=O)=O)cc2C1=O 1319116374 GTWYLCPSJUOXMZ-UHFFFAOYSA-N 431.445 1.909 30 10 IDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1320045316 BYINRDCRUJHPFR-LBPRGKRZSA-N 428.454 1.493 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(Cl)cc1 1358937756 GXCDJWJFNNYMEF-BBRMVZONSA-N 425.942 1.999 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1Br 1358937882 KHQKLHGLSOQQDZ-JTQLQIEISA-N 432.369 1.830 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1358962865 YFVWPRQNPPSSPA-VJANTYMQSA-N 436.578 1.962 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358966542 RHQXGSHYSGQJNE-NSHGMRRFSA-N 449.621 1.357 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)N(C)C 1358977767 VNBWPVRPKBIVAZ-QZTJIDSGSA-N 426.471 1.883 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2OCC[C@H]2C)n1 1359027900 ZSZQPFOIHHYCOP-YLJYHZDGSA-N 438.536 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCCN2CC)CC1 1359047896 XQPKRUHFCQSCLP-WOJBJXKFSA-N 428.581 1.970 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)CC1 1359165210 KHOMGCYUSZRKDY-QGZVFWFLSA-N 436.513 1.350 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1359240204 IXCIWFOXXIPJIG-LJQANCHMSA-N 444.561 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](C(N)=O)C1 1359328804 OSIIWRUWMBSMAE-HNNXBMFYSA-N 429.502 1.604 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CC2CC(F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1360176031 XEYBBDQZOLIUHE-FBMGVBCBSA-N 433.488 1.127 30 10 IDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCOCC2)CC1 1360792336 MUPAULOWYPMPEF-UHFFFAOYSA-N 429.569 1.643 30 10 IDEE C=CC[C@@H](CO)CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1447022877 DUJJBFHAPGXXKM-QVKFZJNVSA-N 428.526 1.635 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)OC 1449284078 MNELIIYFQPPSPK-JKSUJKDBSA-N 427.295 1.957 30 10 IDEE CC(C)c1ccc(CN2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cc1 1460880993 KRQWZSFZBOIIKB-JTHBVZDNSA-N 444.601 1.324 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccn(C4CCOCC4)n3)CC2)cc1 1464040683 XHMJQJQSWZERND-UHFFFAOYSA-N 429.502 1.253 30 10 IDEE C#CCN1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 1465278622 RDXACFGBMRSGTE-UHFFFAOYSA-N 428.352 1.481 30 10 IDEE C=CC1(CC(=O)N2CCC(N3CCCS3(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1468970178 IGKBZWUIIOCMPE-UHFFFAOYSA-N 427.567 1.826 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3ncc(C(=O)OC)s3)CC2)c1 1470234039 XYEJTMAJBRCVIV-UHFFFAOYSA-N 447.538 1.861 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)c(C)s1 1473268870 AIUWNDXMUOZCQP-SFHVURJKSA-N 435.571 1.983 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)CC1 1475509910 DTTHLSYDGGJIJL-UHFFFAOYSA-N 428.297 1.688 30 10 IDEE C#CCN(C)CCCNC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1478680311 BGZJNHAXBUFSMM-GOSISDBHSA-N 434.606 1.870 30 10 IDEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)cs1 1498441725 WEEHMSSJEBRBFP-AWEZNQCLSA-N 438.579 1.614 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507575929 IABINSKCPJOMTC-NRFANRHFSA-N 427.530 1.478 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N1CCOCC1 1507644800 OYBZUDHMFANIJB-UHFFFAOYSA-N 427.892 1.539 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1507695186 WZMHLTZOOWGQNB-UHFFFAOYSA-N 425.533 1.780 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507846157 DPIQZVMEJIXRNR-KRWDZBQOSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Nc2cccnn2)CC1 1508089722 KGLQHKFXHAXNHT-KRWDZBQOSA-N 426.525 1.693 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1508091033 JQNZVOJQLYSMGX-IBGZPJMESA-N 440.548 1.297 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCS(=O)CC1 1508139033 CKBTVTMPDXYXIU-UHFFFAOYSA-N 433.559 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(=O)OC)C1 1508142878 BSXVYTLCOLSVFU-AWEZNQCLSA-N 439.563 1.234 30 10 IDEE CCc1ccc(-c2nnc(N(CCC#N)CCOC)n2CC(=O)N2CCOCC2)cc1 1513632786 AXQMIQGMBFALRZ-UHFFFAOYSA-N 426.521 1.733 30 10 IDEE COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1519125023 HUGNISMWRVFVBO-LJQANCHMSA-N 440.552 1.301 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1539147529 BEKYYSMXDIIRON-CVEARBPZSA-N 434.541 1.623 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539155189 UPRHLODMJFEVGG-HSZRJFAPSA-N 441.532 1.515 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539221674 RBZNNQADRATCJF-PKOBYXMFSA-N 432.521 1.791 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539229615 FISVKQLCVJCGOR-HXUWFJFHSA-N 442.585 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1539318075 LROIEHFVWZDPDM-QGZVFWFLSA-N 436.482 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOCC(F)F)CC1 1539477294 LKJRKDYXPWSWDF-UHFFFAOYSA-N 435.479 1.316 30 10 IDEE Cc1cc(N2CC[C@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2=O)n(C)n1 1539746593 CSCIMGRNERAENV-HNNXBMFYSA-N 432.278 1.663 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540875198 DLSQCASMYCEGKK-PMACEKPBSA-N 441.532 1.852 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)C1 1540882209 DMFBTAXAFKNQRG-ZBFHGGJFSA-N 436.538 1.122 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccn4)n3CCC(C)(C)O)CC2)c1C#N 1543001915 HQLDCPOEXOAKLN-UHFFFAOYSA-N 449.563 1.665 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1543866201 MXHHCITWBKEDLV-SJORKVTESA-N 440.518 1.188 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@]1(C)COCCO1 1544582599 NKPNVRPEGNWCDU-AOMKIAJQSA-N 440.552 1.758 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CCO1 1554451331 FDQCUEOHMAOHCL-AEFFLSMTSA-N 442.545 1.433 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1 1557658929 RIIMFELNMLTIDQ-MGPLVRAMSA-N 427.404 1.492 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1558866603 QGWNKCZAOJAFIX-UHFFFAOYSA-N 430.482 1.980 30 10 IDEE C[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CN1C(=O)OC(C)(C)C 1559022998 GVOKFOURJOBVCQ-HOCLYGCPSA-N 436.534 1.741 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1564417411 VMGKMODFLJQFLG-HOTGVXAUSA-N 440.566 1.478 30 10 IDEE COC(=O)c1nc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1Cl 1565046610 QXQBFXLWWYBXGC-GFCCVEGCSA-N 429.868 1.604 30 10 IDEE C=CCn1ncc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)cc21 1585546208 GRIYNGYMMCRMML-UHFFFAOYSA-N 429.502 1.834 30 10 IDEE C#CC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCCN1C(=O)OC(C)(C)C 1586356409 QHRYYUWWCDZNME-ZHRRBRCNSA-N 439.520 1.612 30 10 IDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1588064477 IUCZOTCMOJIAAI-GOSISDBHSA-N 444.557 1.224 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1588138485 DQSIQWQKSZBUGV-JTPHSUOKSA-N 439.541 1.397 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1588198883 BDVMPCVESWZQEY-MRXNPFEDSA-N 444.598 1.174 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@H]1C 1588200090 BYRSONLOQQCOMH-LJQANCHMSA-N 445.531 1.104 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCSCC2)CC1 1588865579 XWJCXHUOPQKQFR-UHFFFAOYSA-N 440.617 1.970 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1588872169 YCTLQHNHIAJVMS-OAQYLSRUSA-N 426.565 1.881 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1589097712 UTGBHKDDTCUPLZ-WBVHZDCISA-N 430.603 1.963 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1589483822 QUPDWUQNFCWWMZ-QRQLOZEOSA-N 430.553 1.552 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1595500695 BXVDBBWTGJHRAX-HNNXBMFYSA-N 430.534 1.378 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1595577111 JGSRVDZIROFOQN-UHFFFAOYSA-N 447.927 1.274 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1595823260 MRCNFYJFPOXWFY-GOSISDBHSA-N 445.589 1.721 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1595885009 YMUZNXLOXCPXQY-CQSZACIVSA-N 441.579 1.178 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1598136852 GPDKDUVGWYDFSL-HXUWFJFHSA-N 448.531 1.900 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1598442552 ZJXAWEHANXLQGB-MRXNPFEDSA-N 439.497 1.502 30 10 IDEE CN(CC1CCCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1618082024 SDKAGTOUYJEGKN-UDJKBAMHSA-N 427.509 1.382 30 10 IDEE C#C[C@H](CO)NC(=O)CCCc1nnc(-c2ccccc2I)o1 1625165755 VOGAZQSITGOBQB-LLVKDONJSA-N 425.226 1.774 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1626694509 CDHFIVXVCJSUAI-IRXDYDNUSA-N 444.488 1.232 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1 1627743167 FYYCRYNKNNLPMB-VAWYXSNFSA-N 441.553 1.986 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)cc1 1634284568 APCKOLKNSDLAHF-UHFFFAOYSA-N 445.570 1.586 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1636382065 SRVDRBAERHACEZ-UHFFFAOYSA-N 429.454 1.044 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](NC4CCOCC4)C3)C2=O)cc1 1637000059 LEJXZTVYNQUWKP-ICSRJNTNSA-N 439.516 1.523 30 10 IDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccc(Cl)cc1 1638463365 MODVCKCZQWFCBZ-INIZCTEOSA-N 440.308 1.861 30 10 IDEE C#CCOCCN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 1640917210 AMPPYKLAVITKIE-UHFFFAOYSA-N 428.470 1.791 30 10 IDEE COCC#CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1641288541 SQBQOCYZDLRUMR-UXHICEINSA-N 441.484 1.469 30 10 IDEE C=CC[C@]1(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CCCN1C(=O)OC(C)(C)C 1641531644 QVDMJUIRYHECJR-OAQYLSRUSA-N 432.525 1.886 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1641763620 HPXGHGRTGFZJDL-QHCPKHFHSA-N 440.500 1.527 30 10 IDEE Cn1ncnc1C1(O)CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1644623522 RZMVXZHOHGBDAQ-KRWDZBQOSA-N 438.488 1.251 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)C2)c(=O)nc1O 1653760339 VLFXELIPIIXACK-UHFFFAOYSA-N 431.334 1.117 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@H]2c2ccccc2)CC1 1656274575 IVIKIFPJYJJGSY-RTWAWAEBSA-N 432.590 1.541 30 10 IDEE C#CCN1CCN(C(=O)CN2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 1660202684 JRNHCSJTBXMJRW-JKSUJKDBSA-N 432.487 1.541 30 10 IDEE CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682226319 GWNFYLGVUOSVKA-LEWJYISDSA-N 439.560 1.944 30 10 IDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)N1c2ccccc2C[C@H]1C 1686489103 FHEQWKVMBKBZNY-ZACQAIPSSA-N 433.516 1.935 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1689824318 MRMMBQQUXJWCJE-HNNXBMFYSA-N 432.550 1.173 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1690046410 BXPXHLXNAJGPDS-OAHLLOKOSA-N 431.484 1.137 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2CCOCC2)CC1 1690113544 MNRFHBTUXNNOSI-QHCPKHFHSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCCC2(C)C)CC1 1690134808 GUCLCTJYFFFDKQ-YDHSSHFGSA-N 431.581 1.699 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690465065 QUFBYNIVOJVUKC-IAGOWNOFSA-N 441.598 1.971 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690670078 YGVGPHJCWXVUHX-XLIONFOSSA-N 443.596 1.227 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690723980 FSHUJWIDCZGVDN-OAHLLOKOSA-N 432.612 1.481 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690972391 AWSOSUOKZMRLMN-UHFFFAOYSA-N 448.531 1.962 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1694787950 MGLONXKLZSTBFL-HNNXBMFYSA-N 439.501 1.497 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696380538 YMBJBKMFMXHLQW-BSBNDGSWSA-N 439.520 1.673 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1696501178 AICGBHGFMLFXBW-UHFFFAOYSA-N 443.577 1.288 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 1698317226 DPORQQSBJZNDOA-SJLPKXTDSA-N 430.534 1.657 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698486718 QDBBNTAESWKYRY-KCQYIYACSA-N 436.451 1.232 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCSCCCO)cc1 1698488997 VRASXUPSVOTUQD-OAQYLSRUSA-N 429.546 1.928 30 10 IDEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705513606 SBCNHCRCGNMTTN-UHFFFAOYSA-N 434.544 1.984 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(C)cc1 1705573887 PUEUWTYEYNRNKQ-ZWKOTPCHSA-N 429.546 1.737 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCS1(=O)=O 1705575447 KRNLFKUPHKYESE-UHFFFAOYSA-N 449.483 1.655 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCO)c(OC)c1 1705595461 UGRSKQJPUBOOPB-UHFFFAOYSA-N 434.500 1.570 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1705612149 AMHLPZNUPKSKBO-ICSRJNTNSA-N 443.573 1.801 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705612827 PUQJLHXHCVNBLY-MSOLQXFVSA-N 441.557 1.693 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCC#C)CC1 1705651284 QMWNCSOVJBDKSD-UHFFFAOYSA-N 439.589 1.472 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705908627 GAJLYBRGLZMHLV-GDBMZVCRSA-N 430.513 1.006 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1707951285 INYSWDQAEYIPQH-ZJYNUGOYSA-N 435.488 1.138 30 10 IDEE CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1710979813 GALOFAZHFFFVHP-GOSISDBHSA-N 438.536 1.591 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359868 WQYFUKVIUMRNPB-SFHVURJKSA-N 435.594 1.819 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722389088 OSZMBRHZQCROHO-HXUWFJFHSA-N 430.512 1.775 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1722398105 XOYLFYJAYPRUEM-INIZCTEOSA-N 439.607 1.216 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1722412645 CMYGFRBNBRVANB-LJQANCHMSA-N 447.561 1.518 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722424177 DSVQGSMSTRJGCT-GOSISDBHSA-N 447.547 1.927 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccccc1 1722427984 AKTYIFCGMYDEOW-RBUKOAKNSA-N 432.546 1.654 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1722439922 UUYGKIVHHONIOR-UHFFFAOYSA-N 425.533 1.414 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCSC2)CC1 1722446024 JQVJFRQJOXQVAS-QFIPXVFZSA-N 440.573 1.482 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722531316 LEEHFWPMQHREGZ-SFHVURJKSA-N 439.520 1.699 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722618716 VAAHFLQLEOKHFR-YJBOKZPZSA-N 428.580 1.161 30 10 IDEE CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1728331164 GUFGZXNUGGHORK-YQPJHWBJSA-N 432.525 1.763 30 10 IDEE CCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1728454323 JWDXOKWSDDATHZ-ZPHPHTNESA-N 427.509 1.277 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CCO1 1729678661 FQROXSGTOBURFE-QGZVFWFLSA-N 440.895 1.318 30 10 IDEE CO[C@H](C)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1729844148 PNKJCJXMTGRPKJ-QRQCRPRQSA-N 442.520 1.889 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1730762546 GHYSJTHAIXISNG-GJZGRUSLSA-N 443.474 1.480 30 10 IDEE CSC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1731028640 CBCOCAXSWXKYBP-UONOGXRCSA-N 430.600 1.491 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)N(C)C 1740602240 RMEVKLUMWXTWNW-UHFFFAOYSA-N 431.566 1.484 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)C(C)(C)C 1740602991 CBTZWVAFMCHIRD-UHFFFAOYSA-N 438.575 1.631 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1740616690 FNTSBDJPPUXGSB-HOCLYGCPSA-N 446.520 1.674 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(-n2cncn2)c1 1740658708 PRIVYLRPAJSFAR-UHFFFAOYSA-N 428.500 1.492 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1740659613 PDUXNLFKAFKHBG-UHFFFAOYSA-N 447.499 1.540 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740662921 YUOYHNIGADKQQN-HUUCEWRRSA-N 442.586 1.509 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCOCC2)CC1 1740697346 BAUVMVATTXCGCZ-UHFFFAOYSA-N 441.532 1.259 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[C@H]2OC)CC1 1740706465 UNXUHRSWLGIPGB-XUVXKRRUSA-N 429.565 1.953 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1740843237 BUFJDONQEQNUIB-GJZGRUSLSA-N 436.586 1.961 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740958422 OYCBUMQTYUOIGE-OALUTQOASA-N 431.585 1.038 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C(=O)OC)C1 1740988565 JATWDWHJTNZKCY-AWEZNQCLSA-N 439.925 1.594 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@@H]21 1741002686 KMXFZFHYIPBVGJ-PMPSAXMXSA-N 427.596 1.519 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC[C@@H]1CCCO1 1742835099 CEKMJQRVNWXMPX-WMZOPIPTSA-N 426.525 1.549 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1745772972 GZIHTBPNDIZTPY-UHFFFAOYSA-N 433.520 1.736 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)C1 1748052615 MUDSKLSJNMQGHJ-LJQANCHMSA-N 448.369 1.853 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1748698985 KQGMJQZJYYCCRB-ROUUACIJSA-N 449.581 1.102 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748811507 IDDRNUJNQLKJPE-ZHALLVOQSA-N 429.546 1.782 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC=C 1748828781 LQEDMKZTYRHGGR-UHFFFAOYSA-N 436.335 1.709 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1748842726 UEYPUQXOWHIJIA-QGZVFWFLSA-N 431.500 1.387 30 10 IDEE C#CCN(CC#C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nnn(C)n1 1748851531 HDQNQILZBCDKMY-UHFFFAOYSA-N 438.923 1.896 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1748983701 ZHZQAWSPDOIMTB-MRXNPFEDSA-N 448.980 1.574 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCNC(=O)C(C)C)CC1 1748999521 ZKSWCPGKBLDYCO-UHFFFAOYSA-N 442.539 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1749016958 QZPHTDHYZRIIDT-CTNGQTDRSA-N 436.560 1.781 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749044760 UCCWCMOLDNHPMV-UHFFFAOYSA-N 430.578 1.898 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1749141184 XCVGXIUGIIFZGX-FGSXEWAUSA-N 449.552 1.800 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1750057220 QOQLTRAHCOVVBF-LJQANCHMSA-N 426.521 1.831 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(=O)NCC(F)(F)F)cc1 1750382549 IBFUTBNBJCSSIK-AWEZNQCLSA-N 435.410 1.197 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC2CCCCC2)CCOC1 1751025859 JLWRLFAEGRVCBU-PGRDOPGGSA-N 446.552 1.496 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760135337 RSRIRJCUKBLBFT-HNNXBMFYSA-N 448.549 1.279 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760154732 HFTQONMPILSCDK-MRXNPFEDSA-N 449.606 1.470 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1760185559 ZDRRKCVZUZQEPH-MRXNPFEDSA-N 430.530 1.999 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O 1760228907 WORPNKGGGYXFIJ-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760284389 LKEZBNAPCBAACX-GOSISDBHSA-N 429.571 1.257 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1760352576 SCXJGLQJLWNXNH-HOTGVXAUSA-N 429.587 1.732 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760353404 QWTPJQYAMFZIES-UHFFFAOYSA-N 449.559 1.810 30 10 IDEE C=CCCOCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1760453364 UGJQXJPQROXYQJ-FGSXEWAUSA-N 433.553 1.770 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2)CC1 1760514415 FGUSKFWQSLFEJF-UHFFFAOYSA-N 446.515 1.554 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760514852 HDCXFKQDYHUDGV-JOCHJYFZSA-N 434.504 1.339 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760698397 IDQOLASPQOKRRX-HUUCEWRRSA-N 443.474 1.259 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1761524796 WCHUYSFGTMTNPA-LFRPXUGBSA-N 428.468 1.764 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1763005428 ARFKWCBWEFTEIQ-SJLPKXTDSA-N 444.561 1.856 30 10 IDEE CO[C@H](CCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(F)(F)F 1768052065 FERUWYKXPZGESO-OAHLLOKOSA-N 426.447 1.794 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1768519020 OZQJQEJMEHHCSH-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1769275764 LCUCHPCFTXDOQK-SFHVURJKSA-N 441.511 1.202 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)C1 1770727597 HZFGCVVMOJLUGP-QRWLVFNGSA-N 446.508 1.651 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc(C#N)c2)CC1 1848935618 JMNOVMBCEAMWTJ-LJQANCHMSA-N 443.529 1.665 30 10 IDEE Cc1cc(C)n(-c2ccc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)nn2)n1 1852561329 KEBRHAMRWZPKGE-UHFFFAOYSA-N 432.488 1.525 30 10 IDEE COCCC(=NOCC[C@@H]1CCCCN1C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853425614 HULYUMWLKJNRGQ-INIZCTEOSA-N 438.550 1.701 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@H](C)NC3CCN(c4nccn(C)c4=O)CC3)C2)CC1 1853447165 XKRDGQLRAXAPGA-ZWKOTPCHSA-N 449.621 1.488 30 10 IDEE COc1cccc2sc(N3CC(C(=O)N4C[C@@H](CN(C)CCC#N)CC4=O)C3)nc12 1855724699 IPQGHBKWPRKKRD-CQSZACIVSA-N 427.530 1.962 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CCC#N)[C@H](C)C3=O)C2)cc1 1856199707 XDZROTFYUTVAES-QZTJIDSGSA-N 432.546 1.369 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(C)=O)c2)cc1 1858645512 ICTQEBKGINYLBG-UHFFFAOYSA-N 430.486 1.749 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OC)c(OC)c2)cc1 1858647106 VANCMCANTWEIFJ-UHFFFAOYSA-N 447.513 1.737 30 10 IDEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)N2CCN(c3ncccn3)CC2)CC1 1860617045 ZIJZOJDLIZDWMD-QFIPXVFZSA-N 437.544 1.874 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCOC(C)C 1870525754 NIALKPJRRTUUSR-UHFFFAOYSA-N 435.565 1.979 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874338535 UELPLHMBODLGOX-KLWSLPJISA-N 430.490 1.160 30 10 IDEE C[C@@H](C#CC(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902018761 ZGICSNBZUXTTKE-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2136170675 IVIFTKVOGMHTJA-BFHYXJOUSA-N 426.267 1.600 30 10 IDEE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCO 2186655205 PIOTTWNEDRIZEG-AWEZNQCLSA-N 447.538 1.544 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CO1 2243372985 SOVRFONGABSCDE-LLVKDONJSA-N 425.316 1.723 30 10 IDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2243439834 VWGVMGSIFRXGRI-UHFFFAOYSA-N 440.274 1.099 30 10 IDEE Cc1nc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)O2)ncc1B1OC(C)(C)C(C)(C)O1 2256740834 BKSZNNZAYGFSBY-AWEZNQCLSA-N 434.302 1.964 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)n1 2267492683 CPGSGLYDUCFWLT-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2271464614 LGHWSEMJMIOQIN-HNNXBMFYSA-N 445.329 1.539 30 10 IDEE C=CCN(CC(=C)Br)C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2299083415 FKKDYQMTWMGPHC-LBPRGKRZSA-N 425.345 1.848 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303949385 DCMIOGXMXSQFQT-LJQANCHMSA-N 428.335 1.319 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1C 2315635849 OMQYADOSMVPZMC-HDJSIYSDSA-N 434.346 1.813 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)C=CC(=O)O)cc21 2326725804 GFQLQFVSTMGPLX-UHFFFAOYSA-N 437.408 1.834 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC12CN(C(=O)OC(C)(C)C)C2 2337189505 BYGMCBKRWLHBQA-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE COC(=O)c1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc(O)c2)n1N 20915001 KMMYETZFOMTYJF-UFFVCSGVSA-N 441.473 1.661 30 10 IDEE CN(C)c1ccc(/C=N/NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 59500553 AUIDKPQDVUVBGY-XSFVSMFZSA-N 433.490 1.810 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COS(=O)(=O)O 205589560 HOGQKHLSLTVXHT-CZFMHFDVSA-N 440.514 1.385 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 426837133 NJSHRLHLABLBKJ-UHFFFAOYSA-N 427.530 1.774 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 438957343 HKALALDMDQXHKI-KBUPBQIOSA-N 446.403 1.691 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 441208160 RAIWFELWCXYUFO-LRMKFPBYSA-N 431.464 1.886 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@H]1CCCO1 447270167 GEBBOIRFVFWZMP-GFCCVEGCSA-N 437.974 1.833 30 10 IDEE COc1cc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)ccc1C#N 460579312 HFCHMOSBRLJCBD-HXUWFJFHSA-N 433.468 1.733 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 460773385 JZROHMYJCDULGL-DOTOQJQBSA-N 446.577 1.862 30 10 IDEE C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(CC)CC1 460935930 OLNIZRQZKCZIGD-UHFFFAOYSA-N 437.592 1.954 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 461147690 CLCIGUFNVOCVKE-SFTDATJTSA-N 449.559 1.739 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC(=O)N2C)cc1 465460071 SWXORKGGOAVOHJ-FQELHTAISA-N 434.500 1.614 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 481715684 IZYGBENQPWPNEL-OKZBNKHCSA-N 434.562 1.499 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 488566184 NZMYHOQLBGNWMF-VXGBXAGGSA-N 432.868 1.975 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 501852931 GHMCYABEQCXHLP-UHFFFAOYSA-N 426.542 1.776 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 509168011 OHKAUEFQQWNZTL-GFCCVEGCSA-N 425.454 1.622 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 514874347 UIIIZOZYCRYAGT-UHFFFAOYSA-N 445.523 1.505 30 10 IDEE COc1cccc(N2CC[C@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)c1 520597210 ALYOKKQAYRDGOG-QGZVFWFLSA-N 428.514 1.488 30 10 IDEE Cn1cc(N2CCC[C@@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 525012099 VSUCMEUNRUZJST-VQIMIIECSA-N 435.488 1.282 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(F)cccc2CC)c1=O 526037946 BJNFSWQIPDMWJW-UHFFFAOYSA-N 445.560 1.923 30 10 IDEE Cc1cc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)nn1CCC#N 537513494 PKYZOUGBKQIVBB-UHFFFAOYSA-N 438.535 1.509 30 10 IDEE C=C(C)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555251766 CCLFYSZPVZPDHL-UHFFFAOYSA-N 430.534 1.773 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCOC2)CC1 559226002 WSTCGESJUQCNKI-GOSISDBHSA-N 449.559 1.887 30 10 IDEE C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1ccnc1 561701989 FWBPZWYTESNKDD-AHRSYUTCSA-N 434.500 1.476 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2nccc3ccccc23)c(=O)n1C[C@@H]1CCCO1 610128553 XSJNDDJUGYRNDV-KRWDZBQOSA-N 446.532 1.419 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(c3ccccc3S(N)(=O)=O)CC2)CC1 615456972 PFKGEAYWNHIZOR-DKTYTTGXSA-N 447.605 1.775 30 10 IDEE C#CCN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 729334789 VGJIUDJMIRYVAG-IBGZPJMESA-N 431.535 1.923 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2cocn2)C1=O 730725441 UQYCAIDAVCLGPS-KRWDZBQOSA-N 426.502 1.746 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OCC(F)(F)F 732707661 ALHAQNMJVMBKBK-CQSZACIVSA-N 426.395 1.774 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@@]2(C)CCOC2)C1=O 733078531 YYBYKILQCXAVTG-AECIVBJYSA-N 447.605 1.419 30 10 IDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 735774361 XIQKEMHFCKQRHE-QGZVFWFLSA-N 447.469 1.732 30 10 IDEE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 741062987 WEPOZSAEVWPLKO-LVHCJKAXSA-N 442.563 1.398 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 742174647 AWKKTFSMFDBPJG-UHFFFAOYSA-N 434.543 1.992 30 10 IDEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746740329 FBNIUFFBXSWKJP-FOIQADDNSA-N 427.501 1.818 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cc1C#N 747495296 LHQXKUKRQABRDW-UHFFFAOYSA-N 436.468 1.731 30 10 IDEE CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccn1 749643444 CHPQUDXRJRZCAJ-INIZCTEOSA-N 448.483 1.371 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 758050898 JVTXSJAZGDWKCK-UHFFFAOYSA-N 446.507 1.773 30 10 IDEE COc1cccc(C[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)n2nnnc2C)c1 760387580 CSNZSVQNDGNDIX-SFHVURJKSA-N 446.533 1.694 30 10 IDEE Cc1ncsc1-c1nc(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 761006012 WQRKDNLNNLUPJT-UHFFFAOYSA-N 433.471 1.674 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)CCN1C1CC1 768154885 QWYRFZCNMKVMHV-HXUWFJFHSA-N 447.543 1.733 30 10 IDEE CCN(CC)CC#C[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 770801728 JJQCRYIYFVHTLF-QAPCUYQASA-N 425.551 1.969 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1F 771541251 FBASOXILOIOUAI-OAHLLOKOSA-N 447.496 1.201 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1C#N 774866652 XJBXTPKGGPDSKZ-HXUWFJFHSA-N 440.475 1.512 30 10 IDEE N#CCCCS(=O)(=O)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 776117519 SGYPMDYJUKCIKQ-UHFFFAOYSA-N 430.280 1.314 30 10 IDEE N#Cc1cccnc1NCCNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 780824238 DAHOJKLDPIHATJ-UHFFFAOYSA-N 426.502 1.151 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 783545172 MFZSTWYSHUFLEJ-LBPRGKRZSA-N 438.365 1.576 30 10 IDEE COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(C#N)n1 800603182 QYEPRWAWFGAIJG-MRXNPFEDSA-N 426.477 1.979 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 803697586 KMJUDDBXJIVUBW-UHFFFAOYSA-N 442.946 1.440 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1 806219531 JQVSLEHRZRGECI-RTAFMGCNSA-N 434.518 1.711 30 10 IDEE Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 917750759 VJSDMOBEQRLFFP-XSFVSMFZSA-N 445.954 1.996 30 10 IDEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccco3)n[nH]2)c([N+](=O)[O-])cc1O 1084459093 DNLNLBNUYBLNBL-UHFFFAOYSA-N 447.433 1.875 30 10 IDEE N#Cc1c(CCCNC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)nn(-c2ccccc2)c1N 1136183061 PHYLGNFQQUZALN-XMMPIXPASA-N 428.496 1.833 30 10 IDEE C#CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1141017535 OAIDNYZBIXYUIR-UHFFFAOYSA-N 444.509 1.845 30 10 IDEE C#CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)CC1 1143054547 YHDVVKHLBMJHBF-SKTWIKFTSA-N 438.571 1.252 30 10 IDEE C[C@H](O)C(=O)N1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1153301485 LMDXTMHAXAPFTP-HNAYVOBHSA-N 442.516 1.444 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 1194349007 VOYOCBKMZTVNEN-UHFFFAOYSA-N 439.481 1.527 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286323197 GNVNONCFGZDFTJ-IRXDYDNUSA-N 426.525 1.508 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286395158 ZCZBAHYMODMJCO-ICSRJNTNSA-N 442.589 1.375 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCCC[C@@H]2C)CC1 1286478588 DRZOUQIRRRUPJA-PMACEKPBSA-N 427.597 1.639 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)CCOC)CC1 1286485633 RYVRBUDZWJEDML-PWHSHALESA-N 433.597 1.739 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286508380 LEGSCKUORUFCGW-UHFFFAOYSA-N 444.605 1.304 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C 1286518350 DYAFMLPEWZGVRM-NPBIKYGYSA-N 429.612 1.428 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC)C1CC1 1286738118 QKZZISDJMRVOBH-SZMVWBNQSA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCc2ccccc2)C1 1286779512 UTQJQQALJWGAFR-IBGZPJMESA-N 438.532 1.612 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2oc(CC)nc2C)C1 1286809544 JNWOZVSCLHKDTB-HZPDHXFCSA-N 435.550 1.869 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1286811658 DCOADFMDEALBNR-VAMGGRTRSA-N 446.596 1.681 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1288517783 GEUADYAGHKJFTN-FXAWDEMLSA-N 437.548 1.848 30 10 IDEE C[C@@H]1CCCCN1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1291096310 BPWRJZXVGFOIEJ-MOPGFXCFSA-N 429.569 1.897 30 10 IDEE C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291146370 CJMUMKGWGSNTDO-HMWBCQRISA-N 436.476 1.298 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1300311626 URSXJUPGQATYLD-GSHUGGBRSA-N 448.568 1.111 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300492263 MGQYPSCBGJVVLH-SFHVURJKSA-N 428.562 1.371 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1300631544 SHJIGQCUSGFJFG-HNNXBMFYSA-N 447.952 1.579 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1300631545 SHJIGQCUSGFJFG-OAHLLOKOSA-N 447.952 1.579 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1300650723 XILMVDCUQFZTEX-FUHWJXTLSA-N 433.553 1.909 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1300754495 AOJYLMKWWXLNRZ-UHFFFAOYSA-N 449.540 1.770 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1300779625 ZQMJAEMHONGBRU-OAQYLSRUSA-N 446.552 1.702 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCCOC)CC1 1301030318 KHSBZGVKPMNHBL-UHFFFAOYSA-N 436.919 1.721 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CN2CCCC2=O)cc1 1301297708 TWHMBUKAAJIBEO-IBGZPJMESA-N 443.573 1.973 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1 1301531350 JYKUEKPFZHRZOB-LJQANCHMSA-N 441.532 1.690 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC2CC2)C1 1301578801 JERHPTJKDIKPPY-KRWDZBQOSA-N 432.550 1.731 30 10 IDEE C=CCNc1ncc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)s1 1303451897 AAIJCESWVIRGPN-CYBMUJFWSA-N 444.579 1.895 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 1304370021 IJJOFJCLJVTILT-JQFCIGGWSA-N 434.518 1.445 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1309447775 LWWZBZNSCAXGPT-FYQPLNBISA-N 438.546 1.923 30 10 IDEE COCCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1316051830 XWWIYJUITBMORD-LJQANCHMSA-N 442.520 1.609 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCO4)n3CCSCCCO)CC2)c1 1316532953 CDGGQYNXYAWGKK-GOSISDBHSA-N 443.577 1.838 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1351648799 NWUWYBXIINOYMK-KRWDZBQOSA-N 425.507 1.126 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358958093 HOYVYRQHNTYFKH-SFHVURJKSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1358963726 MZEGYQIHLPDFEA-MSOLQXFVSA-N 432.550 1.073 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358967715 QOPHAWSIRFRGJY-BZSNNMDCSA-N 440.566 1.054 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCCCC1 1358980990 ROFZYHARMVMLMT-UHFFFAOYSA-N 429.528 1.992 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359181272 MSGLODBZFHZJLT-KRWDZBQOSA-N 426.525 1.530 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1359282283 WIESYCFLDWCMBU-KRWDZBQOSA-N 441.598 1.686 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1442474606 QOIIBYVMSSUXMR-HUUCEWRRSA-N 427.592 1.770 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC3=NS(=O)(=O)c4ccccc43)CC2)cc1 1459747023 FKHZYCOQCVEIAA-UHFFFAOYSA-N 430.511 1.056 30 10 IDEE C[C@H](NC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 1469755571 CHLYZQNVRFIVEI-YWZLYKJASA-N 425.514 1.830 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@H](Oc2cnccn2)CC1 1471486048 DQXLGCFYMVMZKG-SHTZXODSSA-N 429.502 1.412 30 10 IDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1471882567 PVXUGFMIGHNSNN-JOCHJYFZSA-N 432.521 1.568 30 10 IDEE CCC[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1 1473069243 LFIHGPFPKSRBHN-SFHVURJKSA-N 440.500 1.881 30 10 IDEE C=CCc1cc(CNC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc(OC)c1OC 1477657193 GTVRHUVYXBMADU-UHFFFAOYSA-N 440.566 1.502 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1497085834 HAIUSXLGFZSUKH-OXQOHEQNSA-N 432.550 1.894 30 10 IDEE CCOC1CC(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)(N2CCOCC2)C1 1502937051 BMWAZWWDJWGJES-LYGNXSNRSA-N 447.584 1.425 30 10 IDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1503056334 ADTLOUDBCNJWBG-WMLDXEAASA-N 434.438 1.910 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1503694412 FYJUHGFLCJMLEX-QGZVFWFLSA-N 436.520 1.145 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1505027359 OYHBAIHNOJOHCE-VPTFNQTCSA-N 429.546 1.970 30 10 IDEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CC1 1505321101 GRBFEKUFYCSAFV-UHFFFAOYSA-N 442.495 1.985 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCc2ccco2)CC1 1507731947 GBSLFVACFIXXAQ-UHFFFAOYSA-N 448.527 1.830 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507884976 OTPWDRXILRBUJP-OAHLLOKOSA-N 428.580 1.304 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1507967914 OMPWRWXHOREIBE-SFHVURJKSA-N 448.593 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508136024 QTVIIMOZPCQWMH-QGZVFWFLSA-N 445.545 1.366 30 10 IDEE COCC1=CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1518822506 SNYIFTOUSRTNST-DPPKGPFUSA-N 442.520 1.481 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1S(C)(=O)=O 1519158839 GFQKPNCRORHZST-MRXNPFEDSA-N 436.538 1.637 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc(CC3CC3)n2CCOCCCO)CC1 1521069465 LQFNKVQONLHJPQ-UHFFFAOYSA-N 428.512 1.967 30 10 IDEE C#Cc1ccc([C@@H](OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C(F)(F)F)cc1 1525703819 FYWTYUDNKITOFK-RHSMWYFYSA-N 442.415 1.980 30 10 IDEE Cn1ccn2c(CCNC(=O)c3cccc(OCc4ccccc4C#N)c3)nnc2c1=O 1537834249 OGLODAOWKDKDCD-UHFFFAOYSA-N 428.452 1.851 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1538973567 NUSOHTHMNYUBFK-ZBEGNZNMSA-N 442.339 1.043 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1539016707 VGAATPBCNVGBCA-HIFRSBDPSA-N 438.579 1.077 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1539126695 ZYIUYDJPCRADES-QGZVFWFLSA-N 437.591 1.765 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1539222732 XFFOQPAISQOMRH-QYZOEREBSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1539224008 BNMJGBGURLIZBI-QGZVFWFLSA-N 445.545 1.318 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1539230303 LKCOQYLMYXBELJ-GOSISDBHSA-N 448.593 1.582 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1539265894 KOMORBMYVFMGPF-KRWDZBQOSA-N 429.521 1.696 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1539428128 NEQCRTHRIWJLRZ-QFIPXVFZSA-N 432.638 1.539 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cnn(CC(C)C)c2C)CC1 1539489785 NOPKCWOCGGUURJ-UHFFFAOYSA-N 441.580 1.990 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS(=O)(=O)C1 1540054231 OBHLVEXOGWQNMA-OAHLLOKOSA-N 438.575 1.796 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1540869692 USRRXRLGHZYRHM-IAGOWNOFSA-N 444.923 1.763 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540898982 AKDYCNMNNOLVPG-WMZOPIPTSA-N 449.577 1.604 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540904288 LJDQRBCWWIPJCN-MOPGFXCFSA-N 447.561 1.249 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540916930 KCIZDRRDZARNIH-QGZVFWFLSA-N 449.602 1.835 30 10 IDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1542981051 WPHQRDAHFXOWDM-UHFFFAOYSA-N 427.534 1.893 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2nn(C)cc2I)n1 1543692837 UCLHGPWFEKEEGT-UHFFFAOYSA-N 427.246 1.143 30 10 IDEE CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1547002535 FGGFWQUJSYTDJH-GOSISDBHSA-N 446.577 1.809 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N1CCOCC1 1548137957 MJWSMIVCQJEQTE-OAHLLOKOSA-N 427.509 1.070 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)c2ccc(O)nc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367669 DNYFJGMJPXPKDL-MRXNPFEDSA-N 433.390 1.755 30 10 IDEE C#CCN1CCC(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)CC1 1558065802 JXIPFRVUPSBFDA-QRVBRYPASA-N 446.548 1.373 30 10 IDEE COC(=O)CN(CC#N)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1565906041 IWNVUFMRBHQQIC-UHFFFAOYSA-N 427.788 1.162 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)N3CCO[C@](C)(C#N)C3)c2c1 1585432122 VWTXWSQFZWMHFU-HXUWFJFHSA-N 432.502 1.726 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588049594 IYZWREZICYDDPP-SJLPKXTDSA-N 433.582 1.036 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1588124938 WZSAWHWYGBHWBP-UHFFFAOYSA-N 449.540 1.239 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)c1cc[nH]n1 1588594865 KYKXRHIOQYPZEV-UHFFFAOYSA-N 433.472 1.930 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(COC)CCOCC1 1588628234 GDHYISHCCIVNKK-UHFFFAOYSA-N 445.520 1.535 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC=CCO2)CC1 1588890563 BXVMGTRSUXGLDV-XXBNENTESA-N 443.548 1.241 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(C)CC(F)(F)F)CC1 1588913309 HBEWJYSIQUHQCW-UHFFFAOYSA-N 449.481 1.800 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1588974777 BAKJVXPDPOYFNA-AWEZNQCLSA-N 436.563 1.161 30 10 IDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1594824601 MOKKQEFHUQNGSB-UHFFFAOYSA-N 438.536 1.571 30 10 IDEE COCCCS(=O)(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1595465649 NBWMLJGICUFDDN-INIZCTEOSA-N 446.570 1.084 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)C(=O)C1 1595500761 DWWFLFZZERFMLZ-UHFFFAOYSA-N 432.912 1.196 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1595544151 FRJGJTJRSSBIFS-RTBURBONSA-N 432.569 1.371 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1611303620 QHCSWASCTVSYIU-HNNXBMFYSA-N 429.525 1.855 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CCC(C#N)CC1 1617575502 NBFSTTVFKKQTDL-RTBURBONSA-N 429.569 1.812 30 10 IDEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1619648389 FMNYEMUXADNTEZ-HZPDHXFCSA-N 425.555 1.362 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)(F)F 1619989821 ZITRMIUWJWJYQP-CYBMUJFWSA-N 432.447 1.811 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CCO1 1622233900 HDWIPLHOCKGVHH-KRWDZBQOSA-N 443.367 1.472 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C1 1622345063 GNHGUYWUNUQTRQ-ROUUACIJSA-N 442.582 1.815 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c(=O)nc1O 1625512663 AFNBQOWJEZUSOV-MRXNPFEDSA-N 433.871 1.956 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC1 1627015409 QRZQGCXWGNCTFZ-UHFFFAOYSA-N 432.524 1.617 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n[nH]2)C1 1636512282 AFFCWGAKZPHACJ-LAPQFRIASA-N 449.533 1.144 30 10 IDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CCCC1 1636622746 USODTOPWDGRIDB-UHFFFAOYSA-N 431.518 1.281 30 10 IDEE C=CCn1cc(CNC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)nn1 1638491533 BLRANCQCDINAKM-IEBWSBKVSA-N 433.534 1.028 30 10 IDEE CN(c1cccc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1)S(C)(=O)=O 1638945520 RFITYJFTGCMUKQ-UHFFFAOYSA-N 428.518 1.381 30 10 IDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C1CCN(C)CC1 1639165132 NPTWFMNWSRATFA-UHFFFAOYSA-N 448.770 1.920 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1 1639844318 GPXLYUWAIKNNAZ-UHFFFAOYSA-N 435.399 1.654 30 10 IDEE C=CC[C@@]1(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CCCN1C(=O)OC(C)(C)C 1641531642 QVDMJUIRYHECJR-NRFANRHFSA-N 432.525 1.886 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC[C@@H]2CCCC[C@H]21 1641970555 NBORMIPMMHGUQE-UAGQMJEPSA-N 445.520 1.895 30 10 IDEE C#CCN(CC(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1644509573 YUTRXMVVCGBLBM-UHFFFAOYSA-N 438.569 1.962 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)s1 1645856230 SWBZFBDCSIQPRC-AWEZNQCLSA-N 448.526 1.751 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1649561307 BJIBZEXEAVTOPS-FXAWDEMLSA-N 437.504 1.178 30 10 IDEE COC[C@]1(C(=O)OC)CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1655061781 XUGBGCGCZJCLLL-KNQAVFIVSA-N 432.496 1.189 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OC 1671556791 AYXDKZNQZRSXMC-QGZVFWFLSA-N 430.548 1.647 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3cc(C)ccn3)c2CCC)CC1 1676095459 ZJBLNURKQMLQPR-UHFFFAOYSA-N 445.549 1.145 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689978225 PJROLBNFSPZTJD-GOSISDBHSA-N 429.546 1.400 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689996745 NLTOHGZBYTYDEQ-GOSISDBHSA-N 432.546 1.693 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C1CCCCC1 1689998550 PHVYROORKMVWPV-UHFFFAOYSA-N 433.516 1.789 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1690019421 IHXHUAFEYIMHTF-NRFANRHFSA-N 429.480 1.919 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCS1(=O)=O 1690080418 SVFMGUIMEJCLGO-SFHVURJKSA-N 426.546 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1690146345 LSIFQFDEUUDEQS-IAGOWNOFSA-N 437.491 1.562 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1690173001 SVRHUAHPOVPGHA-SFHVURJKSA-N 435.594 1.865 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690186139 LRFIZTHJJBCENH-GOSISDBHSA-N 433.578 1.571 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690311727 SJLNPWQZSYUMOW-NHCUHLMSSA-N 432.613 1.981 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1690361336 OYDYLLFUAWZQGA-SFHVURJKSA-N 431.585 1.515 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1690527204 KYHKRNTWGZDJNK-QGZVFWFLSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690658896 CUCYWFNOYCCHFY-ZIFCJYIRSA-N 431.585 1.083 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690678523 YTNQQIYCPWZBCF-GOSISDBHSA-N 430.553 1.661 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1690723794 BEEZNEXXOTZFNY-XLIONFOSSA-N 447.492 1.833 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690724202 JZQYFOHDJMJSJM-IBGZPJMESA-N 444.623 1.483 30 10 IDEE CC(C)CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1692455299 OQLMUAPPHAMYFW-GJZGRUSLSA-N 430.600 1.396 30 10 IDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1697070203 HMLKDRPHRVHDLY-HNNXBMFYSA-N 439.520 1.995 30 10 IDEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697733571 HFMKEIDSXLZBGM-CVEARBPZSA-N 441.540 1.076 30 10 IDEE CO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698276822 CVKPQGCSMJPZCI-KHOFPDMRSA-N 436.516 1.929 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)NC 1705619969 HXTMPHILVOVAMN-SFHVURJKSA-N 435.525 1.848 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@@H](F)C2)n1 1705631542 IILWPXDGUKQXAB-LMMKCTJWSA-N 443.527 1.850 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1705647760 JZWIJBFCKAHWRH-FPOVZHCZSA-N 442.608 1.868 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCNC(=O)C1 1705897329 KLQHDGUMYVLDRW-OAHLLOKOSA-N 428.493 1.055 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705901146 BVQDMZDZUCHMDT-FQEVSTJZSA-N 437.548 1.196 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1707826175 YRFCTRSSVLIEMF-KRWDZBQOSA-N 439.524 1.258 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)N(C)C 1712541613 BXUCFMUKGPVSML-CRAIPNDOSA-N 428.559 1.024 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722361654 IPNFBLTZSKSROH-IBGZPJMESA-N 439.541 1.749 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722369940 JAZTYVHDGJWDMR-ROUUACIJSA-N 437.610 1.562 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc([C@@H](C)OC)n2)CC1 1722440149 DLYIGIKRWZCUQY-MRXNPFEDSA-N 443.577 1.368 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1722460002 BDIONQCDTZOQBC-MRXNPFEDSA-N 443.595 1.288 30 10 IDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1722625597 XTJADMMUJZPRLO-UHFFFAOYSA-N 437.504 1.111 30 10 IDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1722630151 WOTAQGVKEOIZCE-SFHVURJKSA-N 434.518 1.618 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCC(O)CC2)C1 1722722521 PZLPRLHLXTZUDA-NRFANRHFSA-N 426.565 1.892 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1723933962 VNIIBMYOSYNZPG-ZBFHGGJFSA-N 448.549 1.654 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1729638673 YNEQTOYWFRIAQP-FGZHOGPDSA-N 442.520 1.794 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1740550785 JVDKOUYIBSVNSP-ZBFHGGJFSA-N 448.545 1.712 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[C@H]2COCCO2)c1 1740564095 ANROQELCOLGAPR-ICSRJNTNSA-N 439.516 1.644 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)c1ccccc1 1740612602 FSEONPYHWMOZPX-UHFFFAOYSA-N 443.554 1.813 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740613004 PXZNLYMFNKILEQ-OAQYLSRUSA-N 436.560 1.852 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1740615697 JFPOXWXJOUVDFH-QGZVFWFLSA-N 442.545 1.908 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(OC)CCOC1 1740632750 ODMHXMCKLGKNES-IBGZPJMESA-N 432.322 1.924 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740713965 UFJGRSPVHVZVLT-CQSZACIVSA-N 425.967 1.983 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740817943 YXMIGMRPLCOHSL-UHFFFAOYSA-N 446.533 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740992457 QNFXGXQTCAJJSA-HNNXBMFYSA-N 427.571 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740992792 UBEJQEKTNUTSCP-CABCVRRESA-N 425.555 1.402 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1741131632 VBVZRUFUFRCOPB-CRAIPNDOSA-N 441.511 1.849 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)C1 1741982934 BQUKSEVGPGWFRW-APWZRJJASA-N 434.522 1.382 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1744757363 UGSUCUUXSYPCJJ-JIQGDJCJSA-N 435.488 1.186 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C(C)C 1748651761 PYCTXDZRANWFSS-KRWDZBQOSA-N 432.594 1.994 30 10 IDEE COc1ccc(OC)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c1 1748855417 AMOGOKCSLYKZTR-KBPBESRZSA-N 436.538 1.692 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1748868068 QUOZLJVXOSBORG-JOCHJYFZSA-N 425.537 1.788 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCSC2)CC1 1749010206 PIWOGVAJPNRTSG-LAUBAEHRSA-N 433.578 1.006 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1 1749065058 SLOHEEDZRJBHRB-SFYKDHMMSA-N 427.597 1.495 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOCC)C1 1749097855 ITEIULJCZQJAFD-KBPBESRZSA-N 428.331 1.770 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749219689 PLMZVPYFPPGOQZ-FQEVSTJZSA-N 429.521 1.888 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749660458 PQWRLZGWKUKEAW-HXUWFJFHSA-N 437.548 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1749729843 UIYNCNAOANLMER-SFHVURJKSA-N 445.549 1.196 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1749978461 DQGXJXRSDHFZKG-SFHVURJKSA-N 435.532 1.695 30 10 IDEE CS(=O)(=O)CCCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750201288 BRIYDJNCBCRDLZ-QGZVFWFLSA-N 446.533 1.489 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCc2ccncc2)c1 1750380985 DVFHCDVIERFJDP-UHFFFAOYSA-N 431.500 1.925 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCOCC2CCOCC2)CCO1 1750388193 LQTRESSRXGJPRI-FQEVSTJZSA-N 426.521 1.826 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCOCC2CCOCC2)CCO1 1750388350 NXGNYCBACLQWLW-FQEVSTJZSA-N 426.521 1.826 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1752278754 NEUKEZWGIVERDZ-PBHICJAKSA-N 446.458 1.820 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CC1 1760101601 SWVPBVKFKPVNHN-ILHIWHGASA-N 448.618 1.916 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760127763 LOTIAOUGFLYQNA-VQTJNVASSA-N 428.581 1.865 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760169070 ZTCCQGFUESFEOD-OAQYLSRUSA-N 448.545 1.362 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1760191125 AZPUWJAPAJOYCH-SQRWCISFSA-N 447.586 1.863 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760196500 OVLNKBHTNQBZNN-YLJYHZDGSA-N 439.482 1.887 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1760241258 UQJNCBVDWGHDRU-QGZVFWFLSA-N 426.496 1.780 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1760245070 QCKBANVHPSZTEG-IBGZPJMESA-N 435.322 1.945 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760389837 VGAGYNVYEFWZTN-RTBURBONSA-N 437.610 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1760554320 ZPXWRQARCTUZOA-INIZCTEOSA-N 432.550 1.212 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ncnn1-c1ccccc1 1760688258 DTTHBCZTKBILFR-GJZGRUSLSA-N 443.537 1.113 30 10 IDEE CCCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)cc1OC 1765871540 NGQPCJNYQWXDHO-QGZVFWFLSA-N 442.520 1.950 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C[C@@H]1C 1769478381 ZMYXLVNJIDQEAQ-QFBILLFUSA-N 440.504 1.899 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)F)C1 1770730770 DWRGFUWQQFHLHO-QGZVFWFLSA-N 441.439 1.093 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1770904729 PITMPLDYQVLBQO-GOSISDBHSA-N 447.561 1.741 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[C@@H]2C)CC1 1771162678 HIEOUJAQHRQWNH-FXAWDEMLSA-N 437.548 1.357 30 10 IDEE CO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1771326256 DZJSTJNOJKIJBI-KHOFPDMRSA-N 436.516 1.815 30 10 IDEE COc1cc(C(=O)N[C@@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc(OC)c1OC 1772790120 JICSVVKISUIZQF-NSHDSACASA-N 428.397 1.585 30 10 IDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)Cn1cnc2ncccc2c1=O 1849464772 HJCSZFWBIRQYTM-UHFFFAOYSA-N 425.246 1.800 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C1=O 1854555343 RPGKNCRUEMPITG-SJORKVTESA-N 436.534 1.246 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCOC2)C(=O)C12CCCCC2 1856281213 FIMLQIMVRXQLIW-QGZVFWFLSA-N 431.514 1.657 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3CCN(S(=O)(=O)CCCC)CC3)cc21 1858630713 XNDDCILFJBRWIB-QGZVFWFLSA-N 449.573 1.917 30 10 IDEE C[C@H](O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932137 VGRQDIUFQUCHAV-SCLBCKFNSA-N 426.498 1.315 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870732757 VUEXZZFUWXRTTI-UHFFFAOYSA-N 444.507 1.301 30 10 IDEE C=CCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871693773 PKXSOFMFPJLBIL-UHFFFAOYSA-N 432.536 1.818 30 10 IDEE CCOc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1891074520 SGFFTVGYSUZYOM-UHFFFAOYSA-N 444.532 1.866 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 1962318096 BJLRAUQXQHWXOZ-CABCVRRESA-N 433.324 1.898 30 10 IDEE C#CCn1ncc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c(Br)c1=O 2162385509 PBUZNZAFXNSVEA-CYBMUJFWSA-N 440.342 1.602 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224096553 UDFKPBGUHSOERT-OAHLLOKOSA-N 431.342 1.941 30 10 IDEE C=C(CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)COC1)B1OC(C)(C)C(C)(C)O1 2243435134 LERBFOQSPKENDJ-UHFFFAOYSA-N 432.348 1.387 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 2244369987 BKNKKPXFQBFSIJ-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248402116 SFIXMBDKHHKGRN-LBPRGKRZSA-N 441.359 1.334 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255704986 OMUPHHPVCGGDOP-ZFWWWQNUSA-N 436.314 1.848 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255829441 PFRJNGDJDYRPFH-UONOGXRCSA-N 432.330 1.553 30 10 IDEE CC1(C)OB(C2CC(C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)C2)OC1(C)C 2267089953 IYSPKKZBJGGNHW-KPFVRQRISA-N 447.263 1.240 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267183299 MGRQYMSWFANFHB-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE CC(=NO)c1cnc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)nc1C 2283589915 CUHFTDVBEHAHST-UHFFFAOYSA-N 431.474 1.801 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2F)c(C)n1 2296620570 AYBMDUBORUZDTD-HXUWFJFHSA-N 440.475 1.986 30 10 IDEE C[C@@H](C#CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)NC(=O)OC(C)(C)C 2302385102 JEYLENYHZPOCJM-RRFJBIMHSA-N 439.509 1.872 30 10 IDEE CCOc1cc(C(=O)N[C@@H]2CCN[C@@H](C(=O)C=CC(=O)O)C2)cc(OCC)c1OCC 2328147350 LQOCIIVMWITOOL-HZPDHXFCSA-N 434.489 1.943 30 10 IDEE CC(C)c1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443843 NXRLLWHLCCDIML-IRXDYDNUSA-N 434.500 1.819 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)c2)c1 96794794 QERBJQZBMPHALP-SEYXRHQNSA-N 443.459 1.922 30 10 IDEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)cc1 102749393 KYKLMFORRXQFJA-HQMFNGAOSA-N 440.500 1.807 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 105283763 CSCVWBNNEXVWBO-UHFFFAOYSA-N 433.921 1.624 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 116294611 ULDPNCSYIKXGBT-UHFFFAOYSA-N 439.394 1.162 30 10 IDEE CS(=O)(=O)OC[C@H]1CC2=C(NCC=C2Br)N1S(=O)(=O)c1ccccc1 216137951 GSELWFWEVQFMIG-LLVKDONJSA-N 449.348 1.519 30 10 IDEE COc1ccc(CN2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254898619 VYZNWSCIJXVDMZ-HUUCEWRRSA-N 426.516 1.547 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)C2=O)cc1 427990169 HLOOLGJJNVLITH-DLFYLYERSA-N 446.507 1.388 30 10 IDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 431247633 OKSQTCKNQWRVDL-ZAEZVXHUSA-N 440.500 1.948 30 10 IDEE CC(C)C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCCC1=O 445642209 LWNHNJQZPPIXCY-LJQANCHMSA-N 446.573 1.818 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 460392538 YTEQBNOZNMWWCZ-VQIMIIECSA-N 425.555 1.194 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3)CC2)c1C#N 472050813 BYPBTDSJPPCUOP-HNNXBMFYSA-N 429.475 1.989 30 10 IDEE C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)OC 481763199 NUIHGOLUACLJHB-QGZVFWFLSA-N 444.937 1.601 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O 487445725 NPWGZCRQTLARTA-CABCVRRESA-N 439.497 1.140 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ccc1F 488851024 HNIMAKXZVLTORJ-UHFFFAOYSA-N 445.444 1.671 30 10 IDEE Cc1ncc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1C#N 489837552 CGDRCSRAIYAUDY-UHFFFAOYSA-N 432.886 1.311 30 10 IDEE C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 520941334 KCZYEYHJXQSKQS-IBGZPJMESA-N 449.573 1.735 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccccc1C#N 535892534 UKDCESFTLWAFPI-UHFFFAOYSA-N 448.454 1.854 30 10 IDEE CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)CC2(C#N)CCCC2)CC1 544749685 DSJUSZJXASSBEA-FQEVSTJZSA-N 430.574 1.996 30 10 IDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 545151080 MBJUCMRYKCBCMM-YOEHRIQHSA-N 432.502 1.648 30 10 IDEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 561041310 ASSIAFNBUXAVFW-MRXNPFEDSA-N 440.997 1.975 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2)CC1 583409200 DQNGUFFYRJIKFV-IBGZPJMESA-N 446.577 1.514 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC1 604887445 UNPJMDOGMVXDRY-UHFFFAOYSA-N 430.368 1.674 30 10 IDEE C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)N1C(=O)NC2(CCCC2)C1=O 608813587 FWLNIJOJKDDLSZ-XJKSGUPXSA-N 441.513 1.651 30 10 IDEE C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)CC(=O)N1CCOCC1 642252156 HPPSKTORSPENBQ-UHFFFAOYSA-N 429.546 1.464 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669818428 HPXQZKGLNFNRJS-QZTJIDSGSA-N 449.581 1.452 30 10 IDEE C#CCn1ncc(NC[C@H]2CN(C)CCN2Cc2ccccc2)c(Br)c1=O 694743966 FBUCSWMQYPFLDN-KRWDZBQOSA-N 430.350 1.867 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)C1=O 726042525 DGCYLVUJDTZEGQ-CABCVRRESA-N 437.452 1.926 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H](C)c1cccs1 727416947 APOAYHBATHSPEZ-CYBMUJFWSA-N 429.523 1.439 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 737305431 HWTACGLWBFLQBG-FZFLATATSA-N 442.472 1.216 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)ccc1OC 747580209 GAAWJBPMCVVAEK-ROUUACIJSA-N 430.505 1.955 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 758070896 ISHCPBHQSKVXFO-UHFFFAOYSA-N 439.500 1.357 30 10 IDEE CCOc1c(Cl)cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Cl 768164291 FGVBDZNZHCZZEW-JQIJEIRASA-N 441.271 1.973 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 788815294 OKROAJISPGRDOT-UHFFFAOYSA-N 438.937 1.465 30 10 IDEE C=CC[C@]1(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 790299102 IQGCJHDTUDRLIT-MGPUTAFESA-N 443.566 1.094 30 10 IDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)CC1(C#N)CC1 793205585 XSDFSEYTTTXKAC-UHFFFAOYSA-N 435.321 1.524 30 10 IDEE CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 794424485 MAGQCNIOZANOKR-QGZVFWFLSA-N 443.577 1.806 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)=NO1 798972739 GSMCGKGUJWHOGY-KBPBESRZSA-N 437.497 1.627 30 10 IDEE CC(C)c1nnc2n1CCN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)[C@H]2C 804402253 JESFLIPQPVIAJM-HNNXBMFYSA-N 436.520 1.357 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=NNC(=S)NC1CCN(Cc2ccccc2)CC1 814727489 QABMYTYBKHFPGJ-UHFFFAOYSA-N 449.606 1.000 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCN(c4ccccc4C#N)CC3)c2)NC(=O)NC1=O 1115946483 JJZJAEOLHWRPMW-HSZRJFAPSA-N 432.484 1.645 30 10 IDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1127456572 HREXHLVSVUVVMS-PMPSAXMXSA-N 439.509 1.917 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCCNc1ncccc1C#N 1136423956 DOCQDMUWXSZVGL-UNQGMJICSA-N 435.406 1.467 30 10 IDEE C=CC1(CC(=O)N2CCN(Cc3nc(COC)no3)CC2)CN(C(=O)OC(C)(C)C)C1 1138284327 LSGKZGBWSRDFCZ-UHFFFAOYSA-N 435.525 1.673 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1170442756 IAPGRJIYJFFYPD-SJORKVTESA-N 427.505 1.256 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1253261424 DXXPBZUUSFDDGN-HNNXBMFYSA-N 436.509 1.643 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCC3(n4cc(Br)cn4)CC3)CC2)nc1 1255080551 WYTVEIDVJOLADG-UHFFFAOYSA-N 430.310 1.933 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(CC)S(C)(=O)=O 1286279990 RUTNTJAEBNSLDR-OAHLLOKOSA-N 434.522 1.983 30 10 IDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1286322365 ADGSSQWTNZTWNK-UHFFFAOYSA-N 433.516 1.805 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286386246 XDQWXNWGEUTHOU-AZUAARDMSA-N 446.573 1.986 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1286442508 BZKJJOHNUNJEFQ-UHFFFAOYSA-N 449.559 1.857 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC(F)(F)F 1286463054 GMMLLPFVUYBDKJ-UHFFFAOYSA-N 430.818 1.758 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC(=C)Cl)n1 1286470398 UVJAVEYHISTTOT-UHFFFAOYSA-N 431.928 1.749 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2nccs2)n1 1286472419 XRAXBHAIVPRHNG-MRXNPFEDSA-N 427.534 1.770 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1286504153 IWKBAFVIYWWHTG-CYBMUJFWSA-N 425.518 1.660 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@H]21 1286609269 ZDLHRUANNGKXDK-ULQDDVLXSA-N 425.555 1.192 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCCCC)CC1 1286645406 CJAKAQTUBPSUSV-SFHVURJKSA-N 441.598 1.974 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 1286831419 DQHNIHQSLYOCSF-ULQDDVLXSA-N 441.623 1.909 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1288520735 VTXNXDOACZJCNI-GUDVDZBRSA-N 431.585 1.853 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 1295606407 ABPKPBFYWTXXQU-UTKZUKDTSA-N 440.562 1.489 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1297999839 CBRGPZSJNIHJML-FQEVSTJZSA-N 430.534 1.567 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1300339271 LEJLDWRHIPJXJF-HRAATJIYSA-N 449.552 1.929 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300340224 WUYOYALJNYGGPQ-RDJZCZTQSA-N 435.554 1.003 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1300496421 RDWRTGXFOUHAPY-MOPGFXCFSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1300531920 JMGPROQXBJUFDF-ROUUACIJSA-N 438.557 1.437 30 10 IDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC1(C(N)=O)CCOCC1 1300591332 OZBKMDOXYKTFPT-UHFFFAOYSA-N 435.528 1.645 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1300762981 MBCCJPZWWCLJPN-QGZVFWFLSA-N 439.593 1.996 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1300777892 GJXXPOPGPIQCEK-SFTDATJTSA-N 449.577 1.716 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1300805349 ADTOGLJAQUZHLH-FOIQADDNSA-N 431.566 1.567 30 10 IDEE C=C(Cl)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301061435 UQFZLKHVRJXLAX-LJQANCHMSA-N 427.933 1.366 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nnc2n1CCCCC2 1301426194 PJMQQTWHHUEFED-UHFFFAOYSA-N 428.541 1.406 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301475835 ZYFYCOATNHTCTF-SFHVURJKSA-N 442.495 1.533 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)nc2)C1 1301538222 GHFHSAXTBFRKHH-ZFWWWQNUSA-N 440.957 1.766 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(COC)CC1 1301568638 VNIDYWQZPLQJMX-UHFFFAOYSA-N 448.549 1.389 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1=O 1301889302 VPWDSMITXLVUHP-UHFFFAOYSA-N 434.447 1.741 30 10 IDEE C#CCN1CCN(C(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1302089065 SVOGCARMJZQWSL-AWEZNQCLSA-N 438.479 1.789 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1302093729 NACYKVZHCOLAHA-DJIMGWMZSA-N 440.495 1.603 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1[C@@H]1C[C@H]1C 1303862060 HOMREGUYEFOAKL-IJEWVQPXSA-N 430.538 1.062 30 10 IDEE Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)s1 1304774520 FPNVOVZIBQNZGL-RYUDHWBXSA-N 426.572 1.419 30 10 IDEE CCCN(C)C[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1306783766 OYXBMJLERBPXFK-XOMICKMZSA-N 427.553 1.850 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1 1314260060 UGOZWGJDFZLHPJ-UHFFFAOYSA-N 447.561 1.618 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1316252395 KRPDPIZZQCETGO-GOSISDBHSA-N 436.520 1.975 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNS(=O)(=O)c3ccccc3)CC2=O)cc1Cl 1358311729 ZCPYCPHFGVRBQA-HNNXBMFYSA-N 446.916 1.659 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C2CC2)N(C)C)CC1 1359038474 XQSMPDDSCZWLKX-GOSISDBHSA-N 441.605 1.365 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1359126645 UUKSRTNGDKPPIT-CQSZACIVSA-N 436.538 1.144 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359230418 RTXCCOZRBDYYKN-LJQANCHMSA-N 432.569 1.467 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359331932 KSNNAWGPNDWGIV-JHJVBQTASA-N 435.472 1.465 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1359334965 WAOBVVAYKFUFOK-UHFFFAOYSA-N 447.561 1.553 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1359440928 RAEPZTLZSLGZRX-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1453540349 KNBXVNUSZBPXLV-IRXDYDNUSA-N 436.505 1.590 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](CN(CC)CC(F)(F)F)C1)c1cc[nH]n1 1465696254 BATNKRPIBCXYHK-ZDUSSCGKSA-N 433.431 1.426 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)cc1 1467807124 AUFSIFJSSXLULD-NPMXOYFQSA-N 447.451 1.418 30 10 IDEE COCCN1CCC(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1477616408 FUJMDUBHEUVSHJ-UHFFFAOYSA-N 437.548 1.891 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCSC1 1503621266 DFILEXFCQVWCBY-INIZCTEOSA-N 434.591 1.945 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1504974870 PIOHJTIVVZQLRG-LAUBAEHRSA-N 434.541 1.381 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN(C)C(C)C 1507601604 SLABVZAARRMKRU-QGZVFWFLSA-N 432.594 1.846 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN(C)CCOC)CC1 1507724057 FLHMUZHUJJOVMM-UHFFFAOYSA-N 430.984 1.856 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1507808203 QKDXBSJALVGOGT-ZWCUEREDSA-N 427.553 1.823 30 10 IDEE C=CCCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1507953041 CTVHUZXSMNQGMC-FQEVSTJZSA-N 441.598 1.757 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC1COC(C)(C)OC1 1508073032 LQMRFKLYOGNDDO-UHFFFAOYSA-N 444.492 1.991 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(c2ccccc2)C1 1508073401 JRMSLNZUUGGOGS-MRXNPFEDSA-N 444.561 1.484 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1508185424 HPKJZIPCQAVPCB-FQEVSTJZSA-N 439.564 1.700 30 10 IDEE CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1517597253 HIEPHYYAOFRCHW-DOTOQJQBSA-N 439.524 1.033 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1517616901 UVDBFNKLRSAYRC-IBGZPJMESA-N 437.504 1.535 30 10 IDEE COc1cccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1518416945 MHCPVTBWSORIDC-ZWKOTPCHSA-N 426.477 1.436 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)c1 1535253489 VNLRHQOYJJJVRO-LJQANCHMSA-N 449.511 1.036 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1539053618 WKAFYLOVNGWRBP-CQSZACIVSA-N 436.504 1.376 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539132861 RTZAOWSWFJCDQS-MRXNPFEDSA-N 445.570 1.310 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C(N)=O)CCCC1 1539154433 JOWLSLRCUYMUAK-UHFFFAOYSA-N 444.561 1.311 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1539295696 DYJCQPSIMRATPK-QGZVFWFLSA-N 429.546 1.717 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1539429542 AFWQVESWTHVSNN-MBSDFSHPSA-N 445.539 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCCS2(=O)=O)CC1 1539468313 DGDJTEWYWREZGD-FUHWJXTLSA-N 435.594 1.725 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1539999943 UZFNEHAQFBNLEQ-UHFFFAOYSA-N 431.566 1.873 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)CC1 1540872687 XMAGRPTUQVUOLG-UHFFFAOYSA-N 434.491 1.218 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H](C)C#N)CC1 1541003251 NLJPNOSKIQMFGM-INIZCTEOSA-N 440.508 1.613 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1547731458 LEKQCNMRYFLCDV-UYAOXDASSA-N 443.621 1.933 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCn2cc(Br)ccc2=O)c1 1556803308 YEIXBRZFRHEQMF-UHFFFAOYSA-N 442.266 1.477 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)COC1(C)C 1558511182 NWVZWXWZMUESSW-MDOVXXIYSA-N 441.550 1.535 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1565594692 LQNVCNSHQNVATF-ZWKOTPCHSA-N 429.473 1.793 30 10 IDEE C#CCCN1CCC(NC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1586802153 CZLINVKLABNSJK-RBBKRZOGSA-N 447.601 1.538 30 10 IDEE CN1CCN(C2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)CC1 1587537555 BOZZFGYBFWWXFI-FQEVSTJZSA-N 438.532 1.002 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)CCC)cc1 1587909604 OOGPPAZYHILCOP-OAHLLOKOSA-N 432.550 1.745 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CCN(C(C)=O)CC1 1587975071 MBIIMLBHGJNVMD-UHFFFAOYSA-N 433.516 1.834 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOCC1(C)C 1588113059 FEVJBTKPVWHZEL-UHFFFAOYSA-N 435.528 1.900 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OCC 1588121169 CDMQOAAQQUTRKC-AWEZNQCLSA-N 426.878 1.798 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1588170134 AHIJEKPVEYNDSS-IYBDPMFKSA-N 435.550 1.166 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1588646797 NINPNMORMYVEKL-INIZCTEOSA-N 435.550 1.563 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCNC2=O)CC1 1588976243 SUPQJVLBEOULNJ-UHFFFAOYSA-N 447.609 1.557 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCNC(=O)[C@H]1CC 1589116054 CCSFXTUKFSNTDX-MRXNPFEDSA-N 429.546 1.947 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1594614779 AANULIFWWALZJU-HUUCEWRRSA-N 427.513 1.117 30 10 IDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594824842 RGIJTVAOZYHRMA-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@@H]1C 1595507060 VOMQORYOJHMOSA-AWEZNQCLSA-N 425.522 1.165 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595595536 XKPVCXRFANREKN-QGZVFWFLSA-N 444.511 1.603 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595871148 IDAVVYHKBHPCIC-FGTMMUONSA-N 434.610 1.695 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@H]1N1CCOCC1 1612917517 MISCPMKBNNJXAW-RXVVDRJESA-N 440.548 1.373 30 10 IDEE COC(=O)[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(C#N)cc1 1613359024 JOBXFMAWZXAGJT-SFHVURJKSA-N 433.511 1.981 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1620045501 VVPBDYNKJMXAML-AUSIDOKSSA-N 438.532 1.927 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCCCCO)cc1 1620352114 ONLKPEDSOMFYCY-UHFFFAOYSA-N 433.534 1.516 30 10 IDEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CCOCC1 1622855054 BHLNBFOTILRAMK-UHFFFAOYSA-N 437.518 1.410 30 10 IDEE C[C@H]1CN([C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)c2c(F)cccc2Cl)CCO1 1624769213 CNROFUHDUYARFL-LRDDRELGSA-N 449.870 1.191 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1)C(=O)OC(C)(C)C 1628831248 UPSHLWOCJSADLE-OALUTQOASA-N 434.581 1.696 30 10 IDEE CN(C)CC#CCNC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1639129982 OSLXLQYLYBYSKK-UHFFFAOYSA-N 445.568 1.483 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H](C)C1 1639207320 VOMCIFQWYQFOSC-LZWOXQAQSA-N 441.575 1.366 30 10 IDEE COC(=O)c1cn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1645939092 ZVVRQHJFPWEGTA-RNFRBKRXSA-N 436.259 1.694 30 10 IDEE COc1ccc([C@@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1648503255 AKDSENRWIVTEEO-XGHQBKJUSA-N 433.530 1.237 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1649663723 SMBAZNIFEVWINQ-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE COCCn1cc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)c(O)nc1=O 1650868629 BVSWATJMFDHXAX-UHFFFAOYSA-N 434.452 1.976 30 10 IDEE C[C@@H]1NC(=O)[C@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H]1C 1654910192 HUMRMIHROZGXQF-ZNMIVQPWSA-N 426.477 1.052 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1659966599 BLQGKLPTLOTWBH-QFIPXVFZSA-N 443.479 1.406 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 1661513037 MRBBXOCIJUWOOH-AWEZNQCLSA-N 430.935 1.060 30 10 IDEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)c1cn(C)c(=O)nc1O 1666959189 JRUHQAPELYIXIP-UHFFFAOYSA-N 432.271 1.764 30 10 IDEE C#CCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1679098139 YBCKJHKEMHGJKF-IBGZPJMESA-N 435.613 1.914 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1)C1CCOCC1 1684188736 VYHXYVQTJBWCCA-UXHICEINSA-N 431.558 1.981 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1689847591 CMXQMMVLIMPCKH-TXPKVOOTSA-N 436.516 1.701 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(CC)cc1)N(C)C 1689946365 PVFBHFCDEOLVNV-QFBILLFUSA-N 432.594 1.823 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1690091522 WICPHDWCCVFCDF-UWJYYQICSA-N 448.520 1.111 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCOCC1 1690100135 YIFKXZOTANGATD-FQEVSTJZSA-N 449.559 1.938 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(CS(C)(=O)=O)CC2)CC1 1690119353 BJEFEEZZTBQUKS-UHFFFAOYSA-N 427.574 1.834 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1690206560 UYEXZJJMXUDLHP-DYESRHJHSA-N 429.546 1.664 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690246671 WBXAGZFZXQWDCO-AOIWGVFYSA-N 444.580 1.905 30 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C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[S@@](=O)CC)c1 1705507384 ZPUVPBZVAFLJHE-MYGHRHJXSA-N 442.545 1.054 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1705530019 MUAJQTQLMUJOCZ-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)O)CC1 1705646296 DMYJCOGZFBPOSQ-UHFFFAOYSA-N 441.532 1.699 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1705647445 FDNIZOPLXPYHPI-VAMGGRTRSA-N 445.564 1.189 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705663241 ALKZLSAFHUYCQO-NQIIRXRSSA-N 444.649 1.976 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705724483 QODFVEWWOLOLAY-UHFFFAOYSA-N 435.554 1.188 30 10 IDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705737759 YWSFFXKNCYALBI-UHFFFAOYSA-N 448.612 1.440 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1705843211 ABAGALQTMFBDDE-LJQANCHMSA-N 448.593 1.760 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)C1 1705922240 IZJRRFSETDJTAX-ZWKOTPCHSA-N 432.569 1.246 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)CC1 1705936560 TVVBSWIBUMDUTC-MRXNPFEDSA-N 430.596 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705937996 KMDOFTCRCVRAOJ-UHFFFAOYSA-N 447.561 1.577 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1722296926 WBEMYJZEHJOWEN-GPMSIDNRSA-N 445.545 1.673 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722368351 QFXNXXFVGAHEKW-OTWHNJEPSA-N 437.610 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1722391791 USUBQEFNJIVXDD-QPPBQGQZSA-N 442.608 1.419 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1722427298 NBWIOTWYNJHNGF-CVDCTZTESA-N 430.597 1.997 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722458674 QAPLQXGTCHQXRL-SFHVURJKSA-N 444.605 1.967 30 10 IDEE C=C(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722525556 CQDZRVSISUHIDP-HRAATJIYSA-N 432.525 1.368 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCN(C)C2)CC1 1722560914 GTXUZVWRSQRHCG-NRFANRHFSA-N 431.562 1.572 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)C1 1722719022 PQSKNHXGBVDVBR-DLBZAZTESA-N 432.550 1.303 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722742877 JWWGCBIVDKWNHZ-HXUWFJFHSA-N 446.602 1.905 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCN(S(C)(=O)=O)C1 1727171742 BNHIJFLTXQSKPT-CABCVRRESA-N 439.586 1.216 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CC1 1728675691 FLWHGKXFUSCRBD-QFIPXVFZSA-N 441.536 1.456 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740627628 ROEVYXROCXWZTI-RTBURBONSA-N 435.594 1.285 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1740637709 BPRVBXCMPVHBNV-GOSISDBHSA-N 445.527 1.635 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 1740660751 BROYKPCNYFZIGS-SFTDATJTSA-N 442.608 1.491 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C)COC2)CC1 1740702964 BXHKVRAASPUPQM-QHCPKHFHSA-N 445.564 1.321 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740989698 VOHQMJKVJQMEGZ-ZWKOTPCHSA-N 433.534 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740991646 AUKNKQLRSZMZFO-IRXDYDNUSA-N 439.582 1.268 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1741391463 IJOLVQIMFZWBPS-TUPYQCFKSA-N 427.509 1.380 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741517397 BRPUBKIDFVZAHJ-XLIONFOSSA-N 439.582 1.488 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COC)C1 1747433231 NTGCSZUULKZAEN-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1748571912 IBIQFBFQMVEHKE-SFTDATJTSA-N 428.468 1.883 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1748847219 PIBNUKUFVKBFKO-XBBWARJSSA-N 444.582 1.180 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCS(C)(=O)=O)CC1 1748976974 BTKXJTNXWQMIQT-IBGZPJMESA-N 445.589 1.835 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@H](C)C2)CC1 1748978816 PJZZTJSSUJJJGX-NZQKXSOJSA-N 430.597 1.417 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1748988477 HMRKRYCBVOMYBO-NRFANRHFSA-N 428.468 1.678 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCCCO2)CC1 1749001071 GXIKEVQVNXJKQY-GOSISDBHSA-N 430.553 1.341 30 10 IDEE COCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1749656555 BKQFPDNGHIZVNI-SFHVURJKSA-N 438.536 1.639 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@@](C)=O)CC2)C1 1749718253 UMLFISPXIQRKFL-DHMKHTPVSA-N 449.602 1.962 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)cs1 1751778395 IHRFNOYIANCFMB-SFHVURJKSA-N 437.595 1.655 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCN(C)C(C)(C)C1 1760105741 UFFMBVHRJLVMBS-GOSISDBHSA-N 448.579 1.405 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1760144385 NMNOCIYLGXYLJT-UHFFFAOYSA-N 440.552 1.735 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760219548 HNQQJYUNLZOYAL-SJORKVTESA-N 449.577 1.556 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1760219924 SKZDUQFEFUOKCW-KRWDZBQOSA-N 449.577 1.510 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(CC)(CC)OC)CC1 1760268028 ASZARNADBJHGOI-UHFFFAOYSA-N 425.537 1.906 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760281719 QHDUKWHQQZJLID-MRXNPFEDSA-N 426.608 1.942 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760373717 AOVXTEXKGQNCCW-ZWKOTPCHSA-N 430.940 1.883 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760452119 FJFACNCQXREHOG-MRXNPFEDSA-N 425.555 1.007 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760501187 JATARNASXHWSLS-QZTJIDSGSA-N 449.577 1.892 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760519621 JZYMEYLDCDIJNQ-CYBMUJFWSA-N 425.942 1.770 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760524355 WASOUEJNWQGWSV-MRXNPFEDSA-N 448.568 1.968 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760569405 NPGUHSPYGOSJOI-QGZVFWFLSA-N 431.566 1.422 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN(C)C1CCCCC1 1761236131 XMHNIJUVRITDKH-FQEVSTJZSA-N 442.612 1.857 30 10 IDEE CCO[C@]1(c2nnc(N3CCCCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1767463955 NNMFJSJLQBUGNI-QIEZACGCSA-N 444.536 1.837 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1771443107 CARJHWAHKQAMBQ-JOUJLLDFSA-N 445.549 1.087 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@H]2CO)C1 1771529284 KSQDGYJBZSTNON-SIKLNZKXSA-N 427.528 1.943 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC(Oc4cccnc4C#N)C3)C2)cc1 1849509895 ZRIYJUYYGCYPGR-QGZVFWFLSA-N 440.525 1.952 30 10 IDEE C=CCC1C(=O)NC(=NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)NC1=O 1851244048 PUUAFVUUJCFGNS-IBGZPJMESA-N 430.464 1.575 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)CC1=O 1854002415 MFOFYJBSYMAIEE-QGZVFWFLSA-N 433.530 1.006 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)[C@@H]1C 1854258737 MSTKAARXJWSHNA-SUMWQHHRSA-N 443.928 1.878 30 10 IDEE CCOc1ccccc1CCC(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854411109 YQQXXYGKICWHHW-UHFFFAOYSA-N 433.530 1.855 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C(F)(F)F)C2)CC1=O 1856788374 YQMVXLFFBCZFRK-OLZOCXBDSA-N 448.419 1.588 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)Nc3ccccc3C#N)C2)cc1 1858375860 FYTSNKRXHQPBFM-KRWDZBQOSA-N 426.498 1.909 30 10 IDEE CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929214 CDJIKHPKAAMMNK-IBGZPJMESA-N 440.525 1.027 30 10 IDEE C#CCOc1cn(C[C@@H](C)O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870562031 NPVZPVKARCLCIW-QGZVFWFLSA-N 426.473 1.472 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cn(C)nc3-c3ccccn3)CC2)CC1 1889437391 STQAMQBJVWPEKS-UHFFFAOYSA-N 436.560 1.354 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(Br)c(F)c1 1891495075 IYKPKTCQSOJAJP-UHFFFAOYSA-N 426.271 1.759 30 10 IDEE N#Cc1ccc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)c(F)c1Br 2174810855 QZTZPJRLNUIGJS-IUCAKERBSA-N 437.191 1.819 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255545780 VRPCEOFJYANHJW-HIFRSBDPSA-N 434.346 1.847 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2255635317 XYFNCBHGNPCYMU-ZIAGYGMSSA-N 434.346 1.813 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)n1 2255819789 GUUNUMODJNKKPJ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255841476 CKBIGUYKETZEJU-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255842653 VOIQRRFLMDHZNW-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255874521 MBQFLKJWVYNXSI-DZGCQCFKSA-N 432.330 1.904 30 10 IDEE Cc1cc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2260826380 FPZOZRPWEYXTRE-KRWDZBQOSA-N 434.342 1.796 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@H]1NC(=O)C(F)(F)F 2267500843 PDWHFZVUSUQCGQ-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267506224 UVUQSECMFKUHAJ-FVQBIDKESA-N 446.357 1.847 30 10 IDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709220 XXTXTXNCTZLITL-DEOSSOPVSA-N 428.794 1.964 30 10 IDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC4(C3)CC3(C4)OCCO3)c2)OC1(C)C 2282851573 DPEOWFKHVBXLPN-UHFFFAOYSA-N 441.380 1.965 30 10 IDEE Cn1c(=O)c2c(nc(NN=CC=C(Br)c3ccccc3)n2CCO)n(C)c1=O 2296732986 IWQCAKZZIHMJDB-UHFFFAOYSA-N 447.293 1.260 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 2315534770 UMIXWXVCHQWNJG-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE COc1cc(C=NN[C@@H]2CCS(=O)(=O)C2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2320842282 IVHLOYSZJRGBEW-OAHLLOKOSA-N 433.442 1.933 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(=O)OC)cc1 2330717978 UJDVHDBIPSKGJM-UHFFFAOYSA-N 446.533 1.544 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337194485 MSEPDUMEDZJADF-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337303214 FENSALGKZMGDMS-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE CC(C)(C#C[C@H](NN)c1ncc(Br)cc1Br)S(C)(=O)=O 2365172231 WCVKHQKYKPCSTB-JTQLQIEISA-N 425.146 1.938 30 10 IDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)C(=O)C1=O 64835491 HANJTTARMGIMFF-UHFFFAOYSA-N 433.574 1.895 30 10 IDEE C#CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 111047715 HDYMRWORENQYMZ-SFHVURJKSA-N 425.510 2.000 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 327144265 SWTCWZSOIWQRCZ-SECBINFHSA-N 426.299 1.503 30 10 IDEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c1 438363905 IJPNAJHMYKOUKV-QGZVFWFLSA-N 435.484 1.672 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n(C)n1 444099882 KAHAEADZNKQVGG-UXHICEINSA-N 435.532 1.669 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447785105 HGFQMVJHOQXPMH-UHFFFAOYSA-N 449.536 1.086 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2CC(N3CCCCC3)C2)CC1 475298831 BGDXGNOARNXQMI-UHFFFAOYSA-N 431.562 1.591 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491722806 ZULSZNIVGPHGCL-UHFFFAOYSA-N 440.550 1.280 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 493970502 GLDWCOYMRLBKLZ-UHFFFAOYSA-N 444.492 1.887 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)cc1 497675960 GONJLNJVNQKWEC-UHFFFAOYSA-N 433.538 1.269 30 10 IDEE COCCNC(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 507901952 LLPFHLJXPHCDIR-UHFFFAOYSA-N 426.458 1.316 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC1 508726784 WYAKENYVAKWPJC-UHFFFAOYSA-N 441.553 1.721 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1 534849134 BXBDOSFMWGHQFS-UHFFFAOYSA-N 425.264 1.582 30 10 IDEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549247853 DNKYFESAIMMSNM-LJQANCHMSA-N 433.516 1.951 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1 552609709 OSPBXCWGTKHWQK-MRXNPFEDSA-N 445.463 1.780 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 572187668 BOAFJRCZQUFFMH-CYBMUJFWSA-N 440.469 1.126 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(F)c1 586863036 HYVNYGIBCBAIJU-UHFFFAOYSA-N 426.423 1.874 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c(F)c1 586863432 MSAHYPHZPFHYEU-UHFFFAOYSA-N 428.851 1.838 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc4c(c3)CCO4)c2=O)CC1 623010680 UPKYZSRHSDYTDQ-UHFFFAOYSA-N 449.576 1.984 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1C[C@@H]1CCCO1 728557886 UMGHANHCQILDNQ-SFHVURJKSA-N 442.585 1.556 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cc1 730138447 LVKCRYRMSSZFDD-KRWDZBQOSA-N 431.562 1.273 30 10 IDEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1 730141246 ITEMYBAVNWGCGJ-SFHVURJKSA-N 447.605 1.827 30 10 IDEE CC(C)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730145072 WCFOKGKIYYZWQK-QGZVFWFLSA-N 433.578 1.831 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 732157082 VEZOJTNMFOTKRY-JDAKFOBDSA-N 428.464 1.249 30 10 IDEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664041 KGUICBAKHRHVHQ-YWVOXXOLSA-N 448.614 1.897 30 10 IDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732672415 ILYCBCUUESLSNB-QFBILLFUSA-N 432.322 1.846 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 737304805 CCRLFTVQPOBLSR-QURGRASLSA-N 428.448 1.668 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 751922627 NSCLMFIPPVSVEJ-NVXWUHKLSA-N 433.578 1.437 30 10 IDEE C#CCN(C(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774170154 DWWCSYHNSAROOU-YJBOKZPZSA-N 433.530 1.237 30 10 IDEE C[C@H](c1ncn(C)n1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 780310068 BJDWIDXFHGKWBJ-CJNGLKHVSA-N 447.540 1.715 30 10 IDEE CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 790855733 BTRBNXOKEDLHSU-MRXNPFEDSA-N 426.514 1.668 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(CC(N)=O)cc2)C1=O 809942467 UYVHTNWXIZBNQO-GOSISDBHSA-N 435.509 1.854 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 813562330 XNKUPPFSXGZQKE-DOTOQJQBSA-N 433.578 1.437 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC3(C(=O)OC)CCCCC3)cc2C1=O 918812289 KAPRLYFZPGSQTK-UHFFFAOYSA-N 428.441 1.618 30 10 IDEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3cccc(Br)c3)n2)CC1 1083930974 NLRYJDUIHJPTGD-UHFFFAOYSA-N 438.355 1.879 30 10 IDEE COc1cc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1OCC(F)(F)F 1134429320 XVQRVVONGONFER-KBXCAEBGSA-N 446.447 1.966 30 10 IDEE C=CCOC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)C(=O)OC 1139176362 XKRRCOVNYALVAB-LSDHHAIUSA-N 426.416 1.753 30 10 IDEE C=CCn1c(SCC(=O)N2CCC(O)(C(N)=O)CC2)nnc1-c1ccc(Cl)cc1 1155733787 ZNFQKNUJSQBAPG-UHFFFAOYSA-N 435.937 1.715 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1159936786 VWZMPKMRUDMLFZ-GDBMZVCRSA-N 431.493 1.459 30 10 IDEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1161580013 BUGRVHRYFPWVHF-IBGZPJMESA-N 427.526 1.724 30 10 IDEE C#C[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1163599347 SBIDBUIHNPWBAH-GOSISDBHSA-N 447.557 1.180 30 10 IDEE N#CC1(C[C@@H](O)CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCOCC1 1167252032 QQNXMIHTGCLPOY-FGZHOGPDSA-N 427.593 1.987 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCS(=O)(=O)C[C@@H]3CCO)c2C#N)C1 1176333417 DOWYYAFMFSBFQH-KGLIPLIRSA-N 425.576 1.555 30 10 IDEE CC(C)CN(C(=O)CN1CC[C@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1196328811 IBPRFRJRDWTGAU-HSZRJFAPSA-N 438.532 1.804 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1286351876 HMGWMPLWTUSERJ-IBGZPJMESA-N 425.489 1.675 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1286382435 JFSWBMHZHDSLMU-DYESRHJHSA-N 438.594 1.993 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1286398719 NETZDUXWPNPJQN-QGZVFWFLSA-N 430.553 1.992 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1286404488 UDSXPDBJFRYLJD-UHFFFAOYSA-N 444.495 1.967 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1286420141 MLTYYMKDEMZYOB-CYBMUJFWSA-N 437.513 1.647 30 10 IDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286756455 MWUZVVFUIHWIEY-HNNXBMFYSA-N 448.549 1.466 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2F)CC1 1286789767 KUORBZASLRMSQM-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCOCC1 1287475287 QTZIUVIASNYSJP-UHFFFAOYSA-N 425.537 1.611 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCCCS(C)(=O)=O)C1 1288975505 OCDNTAKKOPHNEJ-FQEVSTJZSA-N 436.582 1.859 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1296339830 RDEQANGFZHPXGT-SFHVURJKSA-N 441.517 1.295 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1297557803 OTIPGVQXFDWSTJ-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE COC1(OC)CC2(CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C(C)C)C1 1300066617 XLAOLEJUOJFEBH-QAPCUYQASA-N 435.546 1.861 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)nc1 1300267149 FNPUNRWXCXGNOC-QGZVFWFLSA-N 439.564 1.934 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300491387 HMHDYPOCEVHYAR-GOSISDBHSA-N 427.530 1.320 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1300579840 XTBMYUIBJXFSBP-SFHVURJKSA-N 445.527 1.778 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1300587601 RHYCIABKPHMMOA-FQEVSTJZSA-N 443.511 1.801 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cccc(C)c1 1300665442 JLCPHPHUBLWJOD-FQEVSTJZSA-N 425.533 1.997 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1300684270 YWLUKTOLYCARJU-GOSISDBHSA-N 444.605 1.845 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301253074 VNAFFOFESCWXMZ-RTBURBONSA-N 443.552 1.541 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C)c3ccccc3C2)nnc1[C@]1(OCC)CCOC1 1301519644 REOOCMRPSWTUFU-QHCPKHFHSA-N 440.548 1.689 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1 1301529750 NBSPYSUNOIRUIU-BGYRXZFFSA-N 441.532 1.864 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1301594592 HIJUPIKAAUYFFG-AWEZNQCLSA-N 428.522 1.058 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1301799796 NAJNVRXINYLMCW-UTKZUKDTSA-N 434.541 1.511 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)F)C1 1302978215 HQHOCOKOLUOPQD-IBGZPJMESA-N 432.410 1.340 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)o1 1303873541 FAAWSQYLNVYIHD-KDOFPFPSSA-N 433.486 1.565 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1307936234 BMBAMECEWAUHFA-WBVHZDCISA-N 440.418 1.600 30 10 IDEE CCOC1CC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)C1 1314262758 APVQDDQMDMXJPI-ZUIJCZDSSA-N 432.550 1.938 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1358872030 NQZWMZAEPPAPHV-HUUCEWRRSA-N 445.524 1.719 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961415 YTFAHIFFKQKPGL-OALUTQOASA-N 446.621 1.887 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1358962938 ZISNXMMOSSZMKV-GOSISDBHSA-N 431.562 1.828 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)C(C)(C)C 1358999369 OUWIIFWIYOHFGS-ROUUACIJSA-N 436.578 1.678 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1359000000 JIELJBDTYDRRGD-SJORKVTESA-N 430.578 1.799 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(CN3CCOCC3)CCCCC2)CC1 1359041245 QRRHLCFFTFARMM-UHFFFAOYSA-N 442.608 1.835 30 10 IDEE C=C(Br)Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1359088337 IDXCXCRQCDQZMS-OAHLLOKOSA-N 437.360 1.320 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCCS(C)(=O)=O 1359089803 PFCIBJISNJWCEF-JKSUJKDBSA-N 427.571 1.268 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1 1359090196 WNXNSTXDTYBXGH-RTBURBONSA-N 432.569 1.264 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359198198 KTBQKRRUMKPVAQ-TXPKVOOTSA-N 427.571 1.629 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(CN2CCOCC2)CC1 1359225922 PSIXXVKZZOPWCG-UHFFFAOYSA-N 427.553 1.876 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1359272327 PMNDGORFUKBNFW-JTSKRJEESA-N 449.552 1.916 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1359278932 LWACIVIEIDZCSX-OAHLLOKOSA-N 435.506 1.927 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CCC)C1 1359295770 NGGXAHMOQDIWFE-GOSISDBHSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359298362 XDOIXXZJSWLUOU-QHCPKHFHSA-N 448.531 1.395 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359335373 JRAGLGTZINPRBC-FQEVSTJZSA-N 437.566 1.659 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359475095 COYSGFANLYNONM-NVXWUHKLSA-N 434.541 1.885 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1C(=O)NC2(CCCC2)C1=O 1360161263 AUABYZJCRYTQOA-HNNXBMFYSA-N 444.540 1.409 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1360475989 GIFZNBFZNVTRBE-QLFBSQMISA-N 443.474 1.621 30 10 IDEE N#Cc1ccc(N2CCC(C(=O)Nc3ccn(CCN4CCNC4=O)n3)CC2)c(F)c1 1439550072 BCSWFPFXVGLSMQ-UHFFFAOYSA-N 425.468 1.774 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)NCCC(C)C)s1 1443385418 LKBCGJLJABIZKO-HNNXBMFYSA-N 445.632 1.819 30 10 IDEE CON(C)C(=O)C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1450218140 NYWCXXZZLYDHCJ-KRWDZBQOSA-N 427.461 1.022 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOc3ncccn3)CC2)cc1 1452558106 XYIXFEOOOWQMRT-UHFFFAOYSA-N 429.502 1.334 30 10 IDEE N#CC1(C[C@@H](O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CCOCC1 1459688350 BAYSKNGJEYBQNJ-GOSISDBHSA-N 425.526 1.640 30 10 IDEE N#C[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(OCc2ccccc2)cc1 1464770016 CJHZOVXTXDPYJQ-UYAOXDASSA-N 428.514 1.862 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)cc1 1465259074 KYVCRDZMXVESOZ-KRWDZBQOSA-N 434.522 1.446 30 10 IDEE C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472371518 SPPRTNSLLRGENC-JTQLQIEISA-N 435.253 1.984 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618680 CSYRZPSOYXAORZ-AWEZNQCLSA-N 435.477 1.820 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1503836954 NZWSVWSNHAUDJZ-MSOLQXFVSA-N 446.533 1.128 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1507538232 LCIQWOZUPJTNLG-SJLPKXTDSA-N 432.550 1.015 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507592600 TVARYKPZLRVCBV-HOTGVXAUSA-N 437.566 1.697 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C2OCCO2)c1 1507713747 WAXNGLIFOQSXQJ-UHFFFAOYSA-N 439.516 1.580 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2nncn2C)CC1 1507723063 SPEJKUZFGDRXCP-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1507729941 LXWCUYBUYWWURL-UHFFFAOYSA-N 445.589 1.714 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccccc2)CC1 1507731107 AQKMANAKPJXFHO-PMACEKPBSA-N 443.573 1.323 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507833127 XKXBOWBITMPEOS-KRWDZBQOSA-N 429.550 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1508139744 DIQYYRBBIYLIPW-IAGOWNOFSA-N 434.566 1.500 30 10 IDEE CC(C)(C)c1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508495252 WJFVACCOYVKFKI-ZCXUNETKSA-N 429.525 1.194 30 10 IDEE CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)CCN2C1=O 1517412490 HQGQANULQIBJJW-MRXNPFEDSA-N 425.493 1.056 30 10 IDEE COCCOC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1519371997 JPUPYTIOLJZDAR-ZZEZOPTASA-N 430.509 1.314 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CCOCCCO)cc1 1521089927 MXENBJSCXDVDIT-FQEVSTJZSA-N 440.548 1.374 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1-n1cccn1 1539193992 OXIDWSRQCDZGGF-UHFFFAOYSA-N 432.513 1.968 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539444253 LOVUNWHXRWIVPO-GOSISDBHSA-N 449.481 1.358 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1539512665 DXGFBQDXTIZDCV-QGZVFWFLSA-N 432.594 1.679 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCCN(CC)S(C)(=O)=O 1539563459 KWJNFCLGXGGWMI-OAQYLSRUSA-N 430.578 1.928 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539632393 RGAXTZLUAAMUJG-PXNSSMCTSA-N 444.580 1.385 30 10 IDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1539854366 DVSYZTAQPMVHJZ-UHFFFAOYSA-N 443.533 1.528 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1540147115 NSNNOVCILFAYHE-OAHLLOKOSA-N 437.591 1.913 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540872912 FOMSAPOFXXFFTP-MAUKXSAKSA-N 445.593 1.093 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCS(=O)(=O)CC2)C1 1540895729 YEIVYVUXBDUAMH-LJQANCHMSA-N 448.593 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1540903295 CHZJDOYHUSHGTE-UHFFFAOYSA-N 425.599 1.772 30 10 IDEE C=CCSCCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1540910009 UVFRKKCBBYYXKI-UHFFFAOYSA-N 430.582 1.459 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1543463509 SNAIWFYSDDNHFH-INIZCTEOSA-N 449.529 1.314 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1548317099 ZAWQOHWWABLJGM-FQEVSTJZSA-N 428.518 1.110 30 10 IDEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(F)(F)F 1554617414 RUSYHTLKXXRHAD-JKSUJKDBSA-N 449.437 1.998 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1555690279 RCWZIFDWIFHMEX-UXHICEINSA-N 427.505 1.864 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1CCCO 1555744078 RXEZZOCQBMUQBF-HBMCJLEFSA-N 446.596 1.979 30 10 IDEE N#Cc1cn(CCC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)c(=O)nc1O 1556413370 ICEUDPMEXYRDHR-UHFFFAOYSA-N 426.864 1.790 30 10 IDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1559023817 KOZHHLOVJMMQTQ-FQEVSTJZSA-N 437.518 1.043 30 10 IDEE COc1cccc2c1CC[C@@]2(CO)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1560104549 YAUYSWVFFPIKCH-CVDCTZTESA-N 440.569 1.889 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)[C@H]1CCS(=O)(=O)C1 1565072640 LFUVIWXNTUZELZ-HOTGVXAUSA-N 425.551 1.750 30 10 IDEE C#CCN(C(=O)NCC1(N(C)Cc2ccccc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1565323090 QQXIRDOTDQDYCT-FQEVSTJZSA-N 433.574 1.500 30 10 IDEE CC(C)(C)OC(=O)[C@@](C)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1 1583586202 HEYQSIIGMDCWHS-QFIPXVFZSA-N 426.473 1.626 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)CC2)cc1 1584870833 NLZXUONQIBNRGX-KRWDZBQOSA-N 432.502 1.058 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3Cc4ccccc4NC3=O)CC2)cc1 1587015599 ICAYNPBWVHHIKX-FQEVSTJZSA-N 438.509 1.639 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3ccccn3c2C(=O)OC(C)(C)C)C1=O 1587020791 WLWNPVLNEFBAIF-UHFFFAOYSA-N 427.417 1.205 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1587974914 FQPLOIONQQSGIT-SFHVURJKSA-N 449.559 1.591 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)[C@H](C)CC)CC1 1588884917 OPKOGXVIBIHZKL-ZHRRBRCNSA-N 432.569 1.179 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1588885698 YJRRUHUZMXOIPX-PKOBYXMFSA-N 442.564 1.031 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)OC1(C)C 1593779452 WLCBNGAVLKBXFN-OAQYLSRUSA-N 449.357 1.687 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595821460 BSVBSASUMNIBCY-YJBOKZPZSA-N 436.582 1.602 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1595976189 BSNQKBZPRORGRE-MRXNPFEDSA-N 445.474 1.503 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1614978282 GMROXTWUYMQGJV-UHFFFAOYSA-N 430.534 1.356 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1617397805 BGNZWAKNCMLUAR-HXUWFJFHSA-N 445.524 1.731 30 10 IDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1618007632 MINCEFHRBRXPRV-HXUWFJFHSA-N 448.838 1.682 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@H]2C)cc1 1619317415 FSBYWNHZRMZVNE-ONGXBYRLSA-N 431.468 1.848 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 1623681546 LEBUGHXEPIEFIX-OAHLLOKOSA-N 431.493 1.820 30 10 IDEE N#Cc1cn(CC(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)nc1O 1624568653 JFZWQQZCJSSJDS-UHFFFAOYSA-N 444.495 1.259 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1628661922 GHGGVJDCCWDGML-DYXITNMZSA-N 446.507 1.853 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 1630017590 YOJBICLLJNHGLO-HXJYWVFZSA-N 448.545 1.741 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(I)cc1F 1632875112 MHHDGIVEWNAPKO-FYWRMAATSA-N 429.189 1.687 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C(=O)OC 1635158572 FBONBXWPDQZLGM-ZBFHGGJFSA-N 428.407 1.914 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(CO)(C(F)(F)F)CC3)C2=O)cc1 1636536073 ITDXXVQKEDYIHY-HNNXBMFYSA-N 438.406 1.927 30 10 IDEE C=CCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1636816140 AHTAPQGVIZUDSO-HOTGVXAUSA-N 426.539 1.441 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCO)Cc2cccnc2Cl)s1 1639434408 HFIVJKFBGSFMPB-UHFFFAOYSA-N 429.951 1.824 30 10 IDEE C=CCN(C)CCN(CC)C(=O)CNC(=O)c1ccccc1I 1640012902 QFMYBCQVRFXXNF-UHFFFAOYSA-N 429.302 1.987 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1640460201 VFYCHGDJLSQYHO-DYVFJYSZSA-N 428.532 1.466 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1S(=O)(=O)NCC#N 1643543888 DGNSHBQNFOMPKD-AWEZNQCLSA-N 446.451 1.470 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1644337365 HORSCAKZZSTEPC-UHFFFAOYSA-N 449.554 1.563 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1cc[nH]n1 1644882771 VQBIOESSWSYCGD-HNAYVOBHSA-N 449.414 1.060 30 10 IDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1645692994 GLIDQHBIXKFIRO-RTWAWAEBSA-N 433.574 1.331 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(Cc2ccccc2)c1C 1647993125 HKVZYBJLWUWCDX-PSWAGMNNSA-N 433.512 1.948 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)CC1 1650846488 ZFMJAUQZKPOHKC-UHFFFAOYSA-N 445.520 1.034 30 10 IDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccncc1 1654407197 BXMZARWVVXMFIL-PGRDOPGGSA-N 441.557 1.920 30 10 IDEE C=CCC1(O)CCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1655634070 HKTQMMRCJBFGIU-LJQANCHMSA-N 435.590 1.619 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO1 1681300790 JNWQNGWWNMVSHU-DOTOQJQBSA-N 429.477 1.904 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1686531108 ASESJJXCCRVVNW-SJORKVTESA-N 438.506 1.653 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1689929700 CEICZJVEBXQDCN-KDURUIRLSA-N 425.537 1.716 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689991287 ZJEBCNBIOSDPLQ-VAMGGRTRSA-N 449.621 1.529 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N(C)C)CC1 1690152466 MHDGIGCQKWJHAS-SFHVURJKSA-N 426.569 1.056 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1690182594 CSXLKPYYFDKNFV-CQSZACIVSA-N 432.575 1.303 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690227523 AZDYDVUJQJPKPP-KGLIPLIRSA-N 448.387 1.946 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1690640782 CHHPHDXWZNQFMV-UHFFFAOYSA-N 436.538 1.490 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1690662948 GVVSZEYZVZXQDZ-UHFFFAOYSA-N 431.504 1.627 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690722708 SHERVFPFANULMJ-OAHLLOKOSA-N 433.494 1.143 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691519691 WYSBZEXRSZSDMV-AWEZNQCLSA-N 425.493 1.089 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1693248496 GLLOBLZZBVULKG-SJORKVTESA-N 430.534 1.264 30 10 IDEE C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1693735328 OMRCGFFIDZILJY-GFUWFAGDSA-N 427.509 1.162 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1697111589 AHMSVMFZCLTWOO-MRXNPFEDSA-N 446.515 1.672 30 10 IDEE CS(=O)(=O)CCOCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698309363 NIBJRSYCKTWDJK-GOSISDBHSA-N 436.582 1.173 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705556744 FSEJMCFUVQFMJX-MRXNPFEDSA-N 433.534 1.217 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705707734 QFRVDPLLUNRTJF-ZRCGQRJVSA-N 447.580 1.968 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1705906489 HGQYDQQBEXKXID-UHFFFAOYSA-N 437.548 1.951 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706117772 ABYYTKNCZSPSGW-YCPJBFQXSA-N 442.442 1.870 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1706581671 VURFMAIMSNFQNZ-UHFFFAOYSA-N 437.504 1.237 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710297164 CLXIWBSEKVCYAW-LAUBAEHRSA-N 432.548 1.089 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1711045843 NSJBCVIHMHLTHO-KRWDZBQOSA-N 433.534 1.515 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1712593672 FGITVVBVMOALBH-SFHVURJKSA-N 433.534 1.493 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCSCCCO)cc1 1712880168 ZWNGCKFQTOTIDF-NRFANRHFSA-N 426.546 1.649 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCN(C)C2)c1 1722304677 CHLRCJSOAPMERD-QHCPKHFHSA-N 433.516 1.396 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1722423223 YAGPRBCZMBGCGB-SFHVURJKSA-N 427.480 1.550 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnc(C)s2)CC1 1722448676 XDHCALHDSAXELI-KRWDZBQOSA-N 428.562 1.951 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722538519 YJNQGJONADGFRO-IAGOWNOFSA-N 427.571 1.630 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)[C@H](CC)C1 1722697285 JITNPKAAVXJAGM-GOSISDBHSA-N 427.553 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccoc1 1722697441 KNKWEJCICWPPBB-UHFFFAOYSA-N 443.533 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722698265 XGFRHZRYZXRMTJ-UHFFFAOYSA-N 435.488 1.243 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cc1 1724247512 BMPXXKSKFAYMFW-HOTGVXAUSA-N 447.565 1.223 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1729741359 INEBLXSLKJBYES-MSOLQXFVSA-N 430.534 1.371 30 10 IDEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1729885659 DVCQTRFTPCSRPW-KBAYOESNSA-N 449.508 1.436 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1 1730526060 FVEKIJALQKAFEU-UHFFFAOYSA-N 436.516 1.882 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1730628824 AYIHZEVQURAZPE-FOIQADDNSA-N 435.550 1.474 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)C[C@H]1OC 1730987744 AZXIRBHHNCBIQR-BGYRXZFFSA-N 440.548 1.778 30 10 IDEE CS(=O)(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](F)(C#N)C1 1731017658 ASROGMHEMAYOTG-FQEVSTJZSA-N 445.524 1.662 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740532082 XRCGEMJZDUPWBV-ULQDDVLXSA-N 436.582 1.078 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740621733 OOIMVQGOACUJQF-MSOLQXFVSA-N 430.578 1.774 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740723126 NMEWUXCWWUBJDM-OKYOBFRVSA-N 436.578 1.753 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740749739 DHDXBRCLYDZNEA-SFYKDHMMSA-N 446.596 1.699 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1740763846 QQYOIUMFKLTQFJ-QUCCMNQESA-N 427.553 1.823 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740793348 RDCHMPGMVKCLAW-UWJYYQICSA-N 429.525 1.307 30 10 IDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740796200 RRWJYZIWOMZNHB-UHFFFAOYSA-N 444.580 1.531 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1741129812 HRJZEBVTSXCCDB-AWEZNQCLSA-N 448.549 1.959 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1741924657 CGKHDSNXOLQLLJ-MGPLVRAMSA-N 444.443 1.106 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)Br)CCOC1 1746733444 HNHOZHZUZOERMF-FZMZJTMJSA-N 436.257 1.647 30 10 IDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1748707645 INOMOFHMYYCBBP-UHFFFAOYSA-N 435.532 1.415 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1748805486 SHXVSKRGYBHEEC-FUHWJXTLSA-N 448.545 1.383 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1748806160 ZXWLQAPNVKZXQK-OAHLLOKOSA-N 436.921 1.686 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1748808571 LIWMZNRJMSKSQB-RBUKOAKNSA-N 427.530 1.868 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1748951017 RJFABNWKLADRLU-NRFANRHFSA-N 431.541 1.411 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1748977725 AOMMKYBMGNVJOW-JOCHJYFZSA-N 446.502 1.368 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CO)CC1 1749024053 DCKYMMOGNJEACP-UHFFFAOYSA-N 434.587 1.924 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC#C)CC1 1749043503 IAFVFBKLZFUWHJ-UHFFFAOYSA-N 428.587 1.391 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1749053162 BUPWGTSSBDXYDN-JJRVBVJISA-N 429.637 1.729 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1749342709 MLVJKEADFSOMAZ-IRXDYDNUSA-N 442.607 1.407 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749676021 BDCUUNUIYHFPFJ-UONOGXRCSA-N 425.580 1.490 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1749677210 RJRGHZPKDLILNY-UHFFFAOYSA-N 432.532 1.482 30 10 IDEE Cc1nnc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)s1 1751868606 BSHJYZOOGYIRGC-WBMJQRKESA-N 425.515 1.025 30 10 IDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1751922356 AAWNCYNJRJSQQW-SFHVURJKSA-N 443.577 1.456 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCN2CCCS2(=O)=O)c1 1760128337 FWFPDEKMJFKNHK-UHFFFAOYSA-N 442.545 1.247 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1760250394 YYMQKIKRIBPMJT-IBGZPJMESA-N 444.557 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1760265036 LTPKCILURCBHGT-HXUWFJFHSA-N 443.640 1.641 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1760450935 WCDVGLJPMMGWQI-AWEZNQCLSA-N 442.973 1.796 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nncn2C)C1 1760536722 JKNUCYGSXRZHKO-ZDUSSCGKSA-N 433.314 1.994 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCCC2)C1 1760547076 CTOVEGMDGRGKMO-KSZLIROESA-N 433.553 1.829 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1766870458 CKIMOVSDFDCZPQ-IBGZPJMESA-N 435.532 1.648 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772791671 CHMDYGJFERWAOM-UHFFFAOYSA-N 431.426 1.068 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)n[nH]2)c1C 1849188625 FRUHKRYOEDCMIK-IBGZPJMESA-N 426.521 1.930 30 10 IDEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861751223 KYSGHGLTXSFGCN-KRWDZBQOSA-N 441.937 1.268 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(O)c1 1862602623 HFXGDMREVPXYIV-SFHVURJKSA-N 442.380 1.642 30 10 IDEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868608949 YIOBJARFTGCUMB-UHFFFAOYSA-N 440.544 1.943 30 10 IDEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCN(CCO)CC1 1870617690 RIHVGBXWSOCPMH-UHFFFAOYSA-N 441.528 1.266 30 10 IDEE C=CCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593324 ATOCOZYTUMFPEW-MRXNPFEDSA-N 427.505 1.869 30 10 IDEE C#CCn1ncc(N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106029651 FGXYLTJVFIGYKC-LBPRGKRZSA-N 427.299 1.687 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3cc(B4OC(C)(C)C(C)(C)O4)ccn3)[C@H]21 2141670104 KSNPVZILDVMOQZ-GVDBMIGSSA-N 445.325 1.954 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2224139587 MNYUNINJPOWOJV-JYJNAYRXSA-N 435.330 1.134 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243384300 NERQPLJAFXRCBX-CYBMUJFWSA-N 426.344 1.663 30 10 IDEE C#CC1(N(C)C)CN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2251744123 QIECNEDAYQYFMR-DEOSSOPVSA-N 426.561 1.932 30 10 IDEE Cc1c(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255627053 NIMIQJHOXYLBIK-ZDUSSCGKSA-N 436.362 1.918 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C 2255631875 FVNFGHZTFFFIQH-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653990 QJLPDMUSVUXKCD-CYBMUJFWSA-N 436.318 1.390 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255695444 FADBFJWWVIOHRE-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2257488915 IAUQPZYFKNXVKT-MRXNPFEDSA-N 438.305 1.627 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2267272199 XMJSWVOAZDBOOP-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267514557 AWKIORJCOSRZRF-ZIAGYGMSSA-N 446.357 1.657 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(Cc3ccccc3)C[C@H]12 2267531639 SZWQYXGOJNAXEM-ROUUACIJSA-N 436.365 1.888 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCCN(Cc3ccccc3)C2)n1 2267550117 VDWQHIZECVRBDV-SFHVURJKSA-N 439.369 1.899 30 10 IDEE CN1C[C@@H](C(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2268654986 GQBCCPZAMVMJEV-INIZCTEOSA-N 449.357 1.854 30 10 IDEE C=C[C@]1(C)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270533316 CVBPRCOIUBTICM-QFBILLFUSA-N 426.491 1.061 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@](C)(CO)C(F)F)cc2Cl)OC1(C)C 2282842075 SCQNYMNYMDFXIP-CQSZACIVSA-N 431.719 1.995 30 10 IDEE CS(=O)(=O)C1(C#CC(=O)[C@@H](O)c2cc(Br)c(Br)o2)CC1 2367840745 AEYBXVCFLMWBKP-SNVBAGLBSA-N 426.082 1.988 30 10 IDEE CN(C)c1ncnc2c1ncn2[C@H]1C[C@@H](OS(C)(=O)=O)[C@@H](COC(=O)C(C)(C)C)O1 31516388 FHHWPZLULXFRQD-JHJVBQTASA-N 441.510 1.114 30 10 IDEE C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cc(OC)c(OC)cc1OC 32655101 HLWPBZHRHQBGHP-INIZCTEOSA-N 429.429 1.650 30 10 IDEE CCOC(=O)C1=C(COC(=O)C2CCN(/C=C\C(=O)C(F)(F)F)CC2)NC(=O)NC1 98001810 YZRKNXKWMRBVDR-YVMONPNESA-N 433.383 1.017 30 10 IDEE CCOC(=O)CC(C)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 245266179 JAOHJMGABNVQKQ-UHFFFAOYSA-N 426.477 1.417 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC 441222114 AWBWZOXAOMFXKW-CIJNOWTPSA-N 443.500 1.755 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc(OCCN(C)C)cc1 460616341 BJVDWUDMNYCBPY-UHFFFAOYSA-N 447.499 1.643 30 10 IDEE N#C[C@@H]1CSCCN1C(=O)CN(CC(=O)N1CCSC[C@H]1C#N)c1ccccc1 462584354 ZLGXTZMQUGQLOV-QZTJIDSGSA-N 429.571 1.428 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)CC1 467749379 MTBDBLXOHAAANX-AWEZNQCLSA-N 425.455 1.355 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@@H]1CCCO1 479399045 VXHJAUBQBJIMOI-ZDUSSCGKSA-N 435.958 1.585 30 10 IDEE COC(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1C1CC1 507760000 ZZVAZTQNEZOYLH-CYBMUJFWSA-N 442.497 1.600 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1C 518714709 BUMMSKBGJPJINA-IBGZPJMESA-N 437.565 1.831 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 541192686 ZBAUQZJAILWTMR-SFHVURJKSA-N 439.495 1.454 30 10 IDEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1 548543967 QSTSTGHKQCRJML-CYBMUJFWSA-N 440.909 1.435 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(C(=O)N3CCCC3)CC2)CC1 553608104 VVJBFXWEQVUWFY-QFIPXVFZSA-N 441.551 1.869 30 10 IDEE N#Cc1ccc(-n2ccc(NC(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)n2)c(Cl)c1 558777575 OYOIHPNSUMCWBC-UHFFFAOYSA-N 448.936 2.429 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(c4cc(N)c([N+](=O)[O-])c(C#N)c4)CC3)C2=O)n(C)n1 575032485 QPNNNZFNKJKSDK-SFHVURJKSA-N 438.492 1.408 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 580485230 UUFNCMDHKXKJOK-GOSISDBHSA-N 438.598 1.252 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(F)c1 586859001 OQCHUHRCZVKQMT-UHFFFAOYSA-N 440.450 1.756 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H]1n1cccn1 590534790 IOEIYZKNPBNOOI-AJYBTWMASA-N 436.472 1.495 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@H]1CCCO1 590914076 UNDGAKOHDBMKPF-SJLPKXTDSA-N 441.553 1.051 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CCN2C1=O 610776823 ALZSRWGVVYYRFG-IBGZPJMESA-N 447.451 1.784 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1F 614904391 KZMRNYZUDWAENT-HNNXBMFYSA-N 430.501 1.965 30 10 IDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 618890151 CIYHLEIOCOCMJD-MDNKFWRPSA-N 429.542 1.771 30 10 IDEE CN(Cc1cc(C#CCCO)cs1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703991782 VNPRTHVOZWJMLE-UHFFFAOYSA-N 446.550 1.930 30 10 IDEE CO[C@H](C)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140533 XFJAMZMLOPFGDX-QAPCUYQASA-N 431.562 1.983 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 733150094 AKWHAECAWQDIAF-FBBABVLZSA-N 439.556 1.796 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)ccc2c1=O 747437427 RSNNIZJUHGDIEQ-MRXNPFEDSA-N 428.514 1.381 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 753168019 WWKKBUULWLTNJJ-QMWCZEAPSA-N 435.488 1.887 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2c(F)cccc2F)C1 755631461 HANPUORATBMVMJ-ZDUSSCGKSA-N 434.468 1.789 30 10 IDEE CC(=O)N1CCC(NC(=O)CON=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 769843034 UNEBAEYSJWKSIP-UHFFFAOYSA-N 447.536 1.475 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787566357 ZLCRYNFUZWPKOB-HNNXBMFYSA-N 435.502 1.124 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)s1 788084886 CBJUIIIDJOLFGD-UHFFFAOYSA-N 437.499 1.794 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)n1 789324169 ZLGQWALTHJWXBT-FQEVSTJZSA-N 446.573 1.626 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 809893916 WFAGLPAOSZYWSN-GJZGRUSLSA-N 434.497 1.413 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812431500 KAQJIEFGMSNYEQ-QZTJIDSGSA-N 429.521 1.696 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCOC)C1 1116952583 CJSGGBONWHQPNH-QGZVFWFLSA-N 435.550 1.623 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 1137204886 PNDUGBYRMBGPQK-DLBZAZTESA-N 429.583 1.261 30 10 IDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1170357789 FGLQOGLJVCVNLO-SJORKVTESA-N 431.917 1.245 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)CC1 1224972754 VXKKMOQWLHGZOS-INIZCTEOSA-N 426.926 1.349 30 10 IDEE N#CC1(CC(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)CCOCC1 1264237543 LWPKWVMHISNWPY-UHFFFAOYSA-N 446.529 1.857 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1286276916 ZSNCGSGKLMGVAM-NEPJUHHUSA-N 426.340 1.928 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1286381354 GFCQAIGCSOMOER-UWJYYQICSA-N 448.545 1.587 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1COCCO1 1286402426 BBFORPCNHZLWTE-KRWDZBQOSA-N 426.473 1.459 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1286476622 ATDRYIFVSHJLRT-RTBURBONSA-N 425.581 1.916 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1286509111 MQRLHRRXYLUHPP-QGZVFWFLSA-N 441.623 1.604 30 10 IDEE C#CCSCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1286513120 QVLUEXAOVVJDEV-OAQYLSRUSA-N 443.577 1.413 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286612176 BAKNHXCGARDOKJ-NRFANRHFSA-N 429.525 1.763 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(OC)CCOC1 1286717441 YELBQBRJQIVGHL-HXUWFJFHSA-N 434.566 1.974 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1286726902 KNZJRJTWVKYLFY-AWEZNQCLSA-N 430.534 1.746 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(CC(F)F)C3)CC2)cc1 1299492458 GFEFDWHZRVPETJ-MRXNPFEDSA-N 426.489 1.415 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCCS(C)(=O)=O 1300456102 URUBWEJGMIYVFA-UHFFFAOYSA-N 428.518 1.878 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CC1 1300606637 PXHVDVLGJMRRRO-LJAQVGFWSA-N 449.602 1.566 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300755297 QIGHJQYBOWDBFX-MRXNPFEDSA-N 434.591 1.644 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCc2ccccc2)CC1 1300756322 JUCXUMQCBCPDAY-FQEVSTJZSA-N 438.601 1.960 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(C(N)=O)C1 1300876721 VAPKDHKDKLHMCB-ULYRPOKDSA-N 432.569 1.879 30 10 IDEE COC(=O)[C@@]1(OC)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1301020449 GKDJURWIJIBHIL-HXUWFJFHSA-N 437.518 1.076 30 10 IDEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301206983 MPJLWOYOOWTIOZ-INIZCTEOSA-N 440.504 1.076 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1301223130 NFZMTGAPYAQCNK-SQNIBIBYSA-N 440.614 1.496 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](OC)C1 1301596059 GIEAPVPAJZYLNG-ULQDDVLXSA-N 428.555 1.218 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1303512307 ZHARLFCZVOGOMC-IBGZPJMESA-N 435.506 1.066 30 10 IDEE C=CCn1c(SCC(=O)NCCn2ccc(O)nc2=O)nnc1-c1ccc(Cl)cc1 1303575459 XJDJKLAHDDDNDT-UHFFFAOYSA-N 446.920 1.955 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C 1303735575 FFNYVUROBZYHQN-IXDOHACOSA-N 448.593 1.937 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1C(F)(F)C12CCC2 1303836525 NDZLTIFWTJAJKH-HUBLWGQQSA-N 432.472 1.766 30 10 IDEE C#CC(=O)NCCOCC1=C(C(=O)OCC)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1 1306600195 GPVOMFDQJSUVIL-FQEVSTJZSA-N 426.469 1.404 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@@H]12 1307935916 AOARHAGZTKZTGS-PTOXDTDZSA-N 437.587 1.959 30 10 IDEE Cn1ccc([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc2)n1 1312458313 RNWVISBVFOVJJH-UCLAIMLFSA-N 433.921 1.743 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1315631013 HKFHTLVYYVIQHC-LJQANCHMSA-N 434.500 1.662 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl 1318704845 HNUQLOVJIOYFJK-VLGSPTGOSA-N 438.893 1.136 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1358874222 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FSLUFBCNRZESAB-GFCCVEGCSA-N 441.351 1.284 30 10 IDEE O=C(C1=NN(CCO)C(=O)CC1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456584722 GRZCPJFHEZQUKN-OCAPTIKFSA-N 437.287 1.587 30 10 IDEE Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1S(=O)(=O)NCC#N 1456932392 MQLSWKHUAKJFQT-HXUWFJFHSA-N 443.573 1.896 30 10 IDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCO1 1460454927 NBPIBWBYACIZSM-SFHVURJKSA-N 442.495 1.673 30 10 IDEE N#Cc1ccc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1461535613 ZJRVVQNPANCZDX-LJQANCHMSA-N 428.470 1.978 30 10 IDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1461967576 QLJMNKZJKHPWMC-IBGZPJMESA-N 429.498 1.527 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@]23COCCN2C(=O)COC3)s1 1462242111 SBDLFFFEOPUFDF-KRWDZBQOSA-N 431.967 1.583 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 1464923228 VFQFLRRTSWYDDW-UHFFFAOYSA-N 434.518 1.735 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncc(C(F)(F)F)cn1 1468219812 BOXQNUDQGRMFKP-UHFFFAOYSA-N 427.408 1.631 30 10 IDEE CCOC(=O)[C@@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCOC1 1469762123 CHKKYMIUGZSAHY-XMSQKQJNSA-N 428.489 1.713 30 10 IDEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1475838803 NSHYBFVTVFSCDI-GDBMZVCRSA-N 425.532 1.029 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(SC)sc3c2)CC1 1475951653 URTKOCQNCSHSQD-UHFFFAOYSA-N 425.561 1.635 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 1477667556 PEKISJREPFOVJT-UHFFFAOYSA-N 449.360 1.557 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)c1 1492547620 DWYUTOLCTXEXPB-CTNGQTDRSA-N 440.548 1.741 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1492902041 PDFPSETWDZMQDM-GOSISDBHSA-N 446.506 1.536 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1499162934 YWZNBWSVNASZHH-INIZCTEOSA-N 429.550 1.259 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1501397174 CRXICKNUAGQPOB-LJQANCHMSA-N 434.497 1.269 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1503716313 UZDCXHFBUGFLEW-SJLPKXTDSA-N 426.521 1.974 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c(OC)c1 1504202267 FBMWFDRFYDFYMU-MAUKXSAKSA-N 440.504 1.606 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ncccc1N(C)C 1507608317 LMBJBBCWCLSHMW-UHFFFAOYSA-N 438.561 1.817 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCCN(C)C)cc1 1507617749 ZLXVAEIUWSJBAW-LJQANCHMSA-N 445.589 1.433 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1507631627 RFEKZUOVRJIVAE-HOCLYGCPSA-N 438.504 1.741 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1507633172 CBHVYOWOLXWFFY-SFHVURJKSA-N 444.586 1.762 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1507660992 JLBUFXNZPUDDNA-IBGZPJMESA-N 441.454 1.460 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1507703827 GHEIPVVJQDNMDM-JOCHJYFZSA-N 443.552 1.382 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507782813 ASKFFXUASNTSOA-MGPQQGTHSA-N 429.315 1.789 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507845015 VFRJLKZDPDNXCK-FQEVSTJZSA-N 446.596 1.857 30 10 IDEE C=C(C)COCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507847465 GXJQXNYLCANLAJ-XLIONFOSSA-N 442.582 1.535 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507965471 GPNHTBIFUJYFOX-IAGOWNOFSA-N 432.525 1.489 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1508153417 LKZNERVZFLWDTM-UHFFFAOYSA-N 430.582 1.982 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCn2ccnc21 1513407999 GMXGYDGGUJEJNY-DOTOQJQBSA-N 426.525 1.699 30 10 IDEE CC(C)(C)N1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1529802541 AJYJSOVSCHATIV-SFHVURJKSA-N 432.546 1.475 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 1539141265 FATGSMBUPKVLQM-UHFFFAOYSA-N 436.560 1.589 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1539219896 OGPCBIBBGZKKQY-SFHVURJKSA-N 447.536 1.161 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1539237746 KEPRRJYEVBWNFR-QFIPXVFZSA-N 429.521 1.481 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)CC1 1539447391 RMZBCLFCZXBBGI-IBGZPJMESA-N 443.573 1.187 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)no2)CC1 1539468289 CNFTWEIQIBMODB-JOCHJYFZSA-N 442.520 1.241 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539892015 POQROONKDBUMIK-LJQANCHMSA-N 430.578 1.948 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1540036685 RLXFDOZZVVEJFS-QZTJIDSGSA-N 438.594 1.904 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1540869271 HTLKFEBTFXTKHX-MOPGFXCFSA-N 438.532 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540900637 BZGSGJFDFPVXGS-MRXNPFEDSA-N 429.550 1.612 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1542348374 DWGCKWNZEOJMLJ-UONOGXRCSA-N 425.482 1.126 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1554979170 KRGMITDENBLWSB-RXVVDRJESA-N 429.477 1.400 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1 1555808477 AQZDIOZKWFPEEG-LIRRHRJNSA-N 436.488 1.808 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccccc2F)CCO1 1555993962 DIPJGNAOJAQMEC-KRWDZBQOSA-N 435.463 1.562 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nnc(-c3ccccc3)n2C)s1 1556148134 WWPOIWDQEHZWBQ-UHFFFAOYSA-N 445.570 1.909 30 10 IDEE CCN1CCC(N2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 1557073178 FLWNKCOHWGEVDW-SFHVURJKSA-N 447.605 1.244 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1558463884 AQYQTMPFRSLKFP-GOSISDBHSA-N 443.529 1.595 30 10 IDEE O=C(CCn1c(=O)nc(O)c2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1559032870 MGWVLWRJNVOUBJ-UHFFFAOYSA-N 436.424 1.396 30 10 IDEE C#CCC1(NC(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CCOCC1 1562327212 QNGLBJUPLJNUNG-UHFFFAOYSA-N 434.562 1.707 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1587898192 JPXVIPFEEXUVAL-GOSISDBHSA-N 426.521 1.558 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CSCCS2)CC1 1588733483 VBIQYBPWSHTENM-KRWDZBQOSA-N 436.651 1.800 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H](OC)[C@H](OC)C1 1595506912 QFVNWTCBSRCTJD-CALCHBBNSA-N 435.912 1.759 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1596850476 OWEJFIBMFWOAFA-DBHNTLKXSA-N 447.584 1.711 30 10 IDEE C[C@](CO)(Cn1cnc2ccccc21)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1607271884 MTWQMQZQAQYSHM-HXUWFJFHSA-N 430.461 1.654 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCO[C@@H](C)C1 1608453564 IYRUBFHJYZFSFH-GJZGRUSLSA-N 439.520 1.766 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)COc1cccc(Br)c1C#N 1611093977 LNAUPSPDVALPGL-INIZCTEOSA-N 437.338 1.758 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1614309324 AVYOBRSDWZKDFE-UHFFFAOYSA-N 439.520 1.912 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1620111504 WMGBXPFCVKPTSU-ZSZGWDQASA-N 425.555 1.278 30 10 IDEE CS(=O)(=O)CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1620161309 ISBCTUWJCCMEAA-SFHVURJKSA-N 435.525 1.952 30 10 IDEE O=C1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CN1CCC(F)(F)F 1624359416 FXCMASBTZFTENQ-UHFFFAOYSA-N 432.424 1.086 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1627412271 FZVHLHMIHSUNGF-UHFFFAOYSA-N 434.301 1.577 30 10 IDEE C#CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1630857211 XUYJKBSQWYUZHL-KRWDZBQOSA-N 446.978 1.293 30 10 IDEE CCS(=O)(=O)C1(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1637142866 MMLYWQNLDISLBI-UHFFFAOYSA-N 433.490 1.605 30 10 IDEE CC1(C)NC(=O)N(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1639778110 BLZOJQHTTDQXSL-RNFRBKRXSA-N 437.287 1.946 30 10 IDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)co1 1639989854 NOCDREKRNHBYLT-UHFFFAOYSA-N 425.470 1.907 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2C(=O)CNC(=O)c1ccc(C#N)cc1 1640548127 BMZGZLNRJWTOKS-UHFFFAOYSA-N 428.489 1.874 30 10 IDEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1643403130 HHGRZVKWWQQCNA-QGZVFWFLSA-N 442.545 1.537 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1644467432 WMFZGFRWWZPAHC-HXUWFJFHSA-N 448.589 1.290 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1 1645427379 OREVDUMIBUMXHN-KRWDZBQOSA-N 435.546 1.973 30 10 IDEE C[C@@](O)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(F)c(Br)c1 1646440134 XLFINKUZFJUIIS-UVBJJODRSA-N 431.283 1.192 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3nc(C)cc(O)n3)C2)ccc1F 1651886190 FNPRZXZREZZSTN-AWEZNQCLSA-N 435.481 1.103 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1689980702 WHXXBBFPVXBTDI-KRWDZBQOSA-N 445.593 1.589 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)cc1 1690019740 QIKMUVYNDFYNAG-MRXNPFEDSA-N 434.468 1.903 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)N2CCOCC2)CC1 1690117411 GWDSNIMJZXNHBJ-KRWDZBQOSA-N 429.956 1.469 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1690245785 MZQLFDLCLSUIFM-KYJSFNMBSA-N 437.566 1.224 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC2CC2)CC1 1690723192 KYBKSTVSJKGOCE-QGZVFWFLSA-N 437.566 1.225 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1690785918 AVDCBMGBOAMEPU-IBGZPJMESA-N 438.532 1.663 30 10 IDEE C[C@H](COCc1ccccc1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1692738594 FYHKVGOVQZNHEX-AZUAARDMSA-N 438.532 1.982 30 10 IDEE CCc1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694667441 VXTLJJLDPMFXBH-RAJOGRCSSA-N 430.509 1.141 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1696462022 NAEJEKVTQHJFQY-QVKFZJNVSA-N 444.561 1.554 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1705533524 YHUWNZOVWTUFQT-AZUAARDMSA-N 444.557 1.878 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(CCN(C)C)CC1 1705617459 VIPJMUSOOOHGAS-UHFFFAOYSA-N 426.613 1.873 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1705653890 RXZRISCBKWFJRO-RYUDHWBXSA-N 441.501 1.022 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705658087 CDHYTHXYYWWOAE-UHFFFAOYSA-N 430.582 1.629 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1705693182 CMYSPFRAMDEVKP-PKOBYXMFSA-N 442.568 1.458 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705739601 LNLDTKKYPDSFRN-MRXNPFEDSA-N 446.577 1.919 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705900202 UEWIBZDXZRHCQD-UHFFFAOYSA-N 433.520 1.376 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1705901006 XFZUTNBZLHWQQZ-QGZVFWFLSA-N 448.531 1.470 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCOC[C@@H](C2CCC2)C1 1705928881 WRUBKVRUAPSEQL-KRWDZBQOSA-N 439.582 1.270 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C 1710273321 GXLPTDHIFVJVCX-INIZCTEOSA-N 428.562 1.924 30 10 IDEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1711903741 BBTJKTHVLUKQBV-OAQYLSRUSA-N 445.545 1.633 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1722361119 LDLMPRZNJVLOQY-KRWDZBQOSA-N 432.594 1.498 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1722367957 NSCAXKOEDJQLEO-SFHVURJKSA-N 429.546 1.402 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1722374545 WVWATPZPYGTVEN-URXFXBBRSA-N 443.592 1.892 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1722432701 YZACTFQUAJOBEZ-OALUTQOASA-N 448.637 1.535 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1722438067 YYHTWVUAYSTCHZ-UHFFFAOYSA-N 442.589 1.647 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccccc2)CC1 1722438336 WCFZMGAOTSVMBF-AZUAARDMSA-N 427.574 1.739 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C(N)=O)nc2)CC1 1722438801 CIYSVLCIHJYSAC-UHFFFAOYSA-N 433.491 1.305 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1 1722477490 GXXHRNPXNBZUOK-LBPRGKRZSA-N 434.360 1.580 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722703571 BXAXDCNSJJWMGE-FGSXEWAUSA-N 433.553 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722728478 UWYKDCOKZZIFIN-UONOGXRCSA-N 429.568 1.132 30 10 IDEE CC(C)(C)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1722968880 FDYNITITGGDGGH-HNNXBMFYSA-N 432.550 1.614 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1723867733 BQEUOBLCQCHCHN-XQBPLPMBSA-N 432.569 1.779 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)Cc1ccccc1 1723933260 DZQIQUNPEWWHEB-OXJNMPFZSA-N 449.556 1.462 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)CC1 1728604387 AMABEQPIFJWFJF-FXAWDEMLSA-N 427.601 1.762 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1730121794 CICLCITXFFTWLU-WIYYLYMNSA-N 440.548 1.521 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSCCCO)CCO1 1731190331 PYBLILDFKROJRJ-MRXNPFEDSA-N 431.518 1.561 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1740563531 TYAKOHPNZZOLPY-SOUVJXGZSA-N 425.555 1.551 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740570434 DTESHMMXKHGMDU-IRXDYDNUSA-N 440.552 1.861 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1740794939 KXMQKVPLYRSWFJ-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740992407 PFKIBGJBBQOVQC-SJLPKXTDSA-N 434.566 1.848 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 1741983120 GKZDMASXLQMNHI-APWZRJJASA-N 425.555 1.711 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1748752388 WFGKRQIQRIPBBJ-BZSNNMDCSA-N 437.566 1.172 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1748868727 GHQMZLZSFNZGMX-JOCHJYFZSA-N 425.489 1.416 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1749023321 RDEABUDXAKPYEA-CYBMUJFWSA-N 426.568 1.496 30 10 IDEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1749246399 BJTWICKDRWPMBH-ZCNNSNEGSA-N 441.532 1.667 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCS(=O)(=O)N(C)C)CC1 1749323585 HJOAKYOPLYNMCQ-UHFFFAOYSA-N 426.587 1.490 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)C1 1749694866 WULYJBFSTAIJFM-QGZVFWFLSA-N 437.566 1.120 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1749710339 WFYMGNLAXMESAI-IBGZPJMESA-N 438.532 1.590 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C)N1CCCCC1 1750154517 PPHSRBQZSLZHQM-FYQPLNBISA-N 432.569 1.995 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC(F)(F)F 1751223883 RVKFXUXAEIJCME-GXFFZTMASA-N 428.412 1.257 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1760190344 VYAPAQBFWDSJDJ-HXUWFJFHSA-N 438.557 1.856 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccn(C)n1 1760226120 KUQQJRKJPXFYMK-UHFFFAOYSA-N 440.577 1.982 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1760428506 XUXAQWHVMGXTET-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1760485274 XYBAJRCUBVBOLT-INIZCTEOSA-N 445.524 1.689 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760523583 CCMZFEBYYXNEBF-QZTJIDSGSA-N 445.568 1.057 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H]1C 1760552942 GVXDNPXIONWABP-OAHLLOKOSA-N 428.522 1.510 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1761448366 ZNMOYSRAGTZVOO-QAPCUYQASA-N 433.534 1.492 30 10 IDEE CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1/N=CC=CC1=O 1762870667 CDESQEQBUBBPMP-HNENSFHCSA-N 425.449 1.912 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1764765698 NIWUZIAMOOSMAQ-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)CC1 1766567238 FTLBRNQUYSKOCW-SFHVURJKSA-N 439.564 1.842 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1766852587 PARKRGDODSDQBA-UHFFFAOYSA-N 438.532 1.948 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1766927264 CJPKHOYFDWDQLZ-AVRDEDQJSA-N 441.511 1.660 30 10 IDEE CN(C[C@@H]1CC=CCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1768762463 JEDNZZNYGCOWSR-LFWLKJPASA-N 439.520 1.548 30 10 IDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2C1 1849764112 IMHLUSLYPAURAP-UHFFFAOYSA-N 425.514 1.369 30 10 IDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccc(F)cc4F)n3[nH]2)CC1=O 1852330931 OICOMGSXLYXBLA-QWHCGFSZSA-N 442.426 1.937 30 10 IDEE CC(=O)N1CCN(CC(=O)OCCCc2cn3ncc(C#N)c3nc2C(F)(F)F)CC1 1852534032 GNCSBXUUEXHVAD-UHFFFAOYSA-N 438.410 1.260 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CCn2cncn2)CC1 1855596527 LLXLATZMTIVIKU-UHFFFAOYSA-N 429.502 1.515 30 10 IDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)c3ncc(Cl)cn3)C2=O)CC1 1856104098 ZKKPOLLXBIKDGI-MRXNPFEDSA-N 425.880 1.350 30 10 IDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1 1856251329 PLFDWJGFHHKYJE-MRXNPFEDSA-N 431.514 1.270 30 10 IDEE CN(C)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932026 QHBKZWLCJKLZRH-LJQANCHMSA-N 439.541 1.496 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CN(C)CCO 1870391137 MDPOFQUKZKPBGH-UHFFFAOYSA-N 443.500 1.653 30 10 IDEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN(CCO)Cc1ccccc1 1870576215 RMGJYGTWSZYKQO-UHFFFAOYSA-N 427.530 1.872 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](CO)C1 1879576638 HKHOAMRVGJYNBA-IPVJXJPOSA-N 448.329 1.380 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)CC1 1889281747 UPPVKAKMAQYCTA-UHFFFAOYSA-N 427.593 1.870 30 10 IDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nn1 2060785849 MEEDRVDLJMQGTQ-PKOBYXMFSA-N 439.520 1.617 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)=C[C@H]1O 2131476115 LALUBWDTJNGURK-LSDHHAIUSA-N 446.313 1.299 30 10 IDEE C#CCN(CC(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2216452216 AWVBTSLLUYYQDZ-ZHRRBRCNSA-N 439.553 1.981 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247917294 AVEFYYPWRMLUMP-CHWSQXEVSA-N 439.343 1.464 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 2255618856 KPDRTGKSZYSPOW-HUUCEWRRSA-N 432.330 1.933 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255622720 DIQGDYZDCLPMLE-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)NCC1(F)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255628229 FOMFFSFAYWDVEJ-UHFFFAOYSA-N 438.309 1.834 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255807311 RQKQKTFTERONRL-CABCVRRESA-N 436.314 1.991 30 10 IDEE Cc1cc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255828864 XWFKHXYHUILMPF-AWEZNQCLSA-N 438.330 1.845 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255874813 YLOHDFVYKVWCKK-QWHCGFSZSA-N 435.334 1.242 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2259345334 GBVQTOVQBOOOEL-UKRRQHHQSA-N 434.346 1.752 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C3CN(C(=O)OC(C)(C)C)C3)CC2)n1 2267112364 FOOYJTBJOKWBBX-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(=O)N(C)C)Cc1ccccc1 2267151659 ZKHJRFUXDBGAGF-UHFFFAOYSA-N 440.353 1.758 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1 2267498080 RWWYASRILVLLJV-SQWLQELKSA-N 446.357 1.705 30 10 IDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267544044 OKGMBZMEZVEWJU-CQSZACIVSA-N 449.361 1.586 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2267575607 HSDSEFJFRHFHEH-ZIAGYGMSSA-N 447.345 1.196 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C 2267596109 HWNRWPUQTPJHFX-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267606457 XWGSBGJCGMJLQY-SQWLQELKSA-N 444.341 1.761 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=c3nc(CN)[nH]s3)cc2Cl)OC1(C)C 2282305589 ARYBXIIAOXERLU-UHFFFAOYSA-N 436.777 1.234 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2312639330 SZTLABRUKUXISD-INMHGKMJSA-N 435.330 1.134 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315612053 UUGWGMZBLYOCJM-QGZVFWFLSA-N 429.326 1.369 30 10 IDEE COc1cc(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 2325708966 DZSZZVUTGTVPNP-UHFFFAOYSA-N 434.470 1.259 30 10 IDEE COc1cccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 2328074109 REUGIICBCMNVOH-UWJYYQICSA-N 447.491 1.811 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2337206059 HQWKNJGYDYLHHM-GJZGRUSLSA-N 446.357 1.801 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 20806104 XEKLHJTURZTAFL-FBCYGCLPSA-N 446.518 1.720 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)cc21 427871135 HYCUOAJJSCNAOJ-UHFFFAOYSA-N 430.399 2.312 30 10 IDEE N#Cc1ccccc1N1CCCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCOC2)CC1 461686150 FXHUMBMMUUGJBE-NQIIRXRSSA-N 438.532 1.991 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 466100624 FPBPLPWNESPAFW-UHFFFAOYSA-N 437.504 1.095 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cn1 471834681 STJVBIDWSBBFQD-INIZCTEOSA-N 445.526 1.357 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN([C@@H](C(=O)O)c4ccccc4)C3=O)cc2C1=O 473706418 PCZGEDWXXUZFEA-RBUKOAKNSA-N 447.447 1.625 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 477313542 GTFOMBQFBKUWJH-QGZVFWFLSA-N 427.501 1.318 30 10 IDEE COc1nc(N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)ncc1Br 477603512 SFZBTQUJHWWFHE-UHFFFAOYSA-N 430.328 1.393 30 10 IDEE CCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2c(Br)cnn2C)c1=O 478857075 OUOGFSMYFJEHLR-UHFFFAOYSA-N 437.363 1.934 30 10 IDEE N#CC1(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCN(Cc2ccccc2)CC1 479308158 OJASAMJPGFGGAN-VURPSTOHSA-N 436.512 1.213 30 10 IDEE COc1ccc(C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 481777963 KBOVFDURGMTMLG-GJZGRUSLSA-N 431.514 1.990 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 485491351 OTUVIHJFFJKDCM-YLJYHZDGSA-N 438.546 1.954 30 10 IDEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N(C)Cc1nnnn1C 509010764 KSYNYSVSKHXNTH-UHFFFAOYSA-N 436.568 1.250 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 511151219 DFUWDCGPAHRACE-UHFFFAOYSA-N 430.461 1.392 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)CC2)nc1 541826444 XWIAJGVCGVMUQA-UHFFFAOYSA-N 437.525 1.690 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c1=O 542728113 JNFMALMZRIAXFM-UHFFFAOYSA-N 428.514 1.810 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc2c(cc1Br)NC(=O)CO2 543942018 PDHQCIPFOHCTSK-UHFFFAOYSA-N 433.266 1.662 30 10 IDEE CC(C)C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 544831869 KWLSXOIMJDZQOJ-HSALFYBXSA-N 435.528 1.968 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCCO1 549471693 FCDNFCWWJOXPCC-IEBWSBKVSA-N 441.536 1.774 30 10 IDEE Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 558589228 AUNAOVVTQRHFKJ-CQSZACIVSA-N 447.438 1.836 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCOC2)CC1 576762579 IOIACXYNGMTFBL-OXJNMPFZSA-N 442.495 1.740 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1 589838934 LZTQHMRZTKNIJH-NRFANRHFSA-N 438.507 1.997 30 10 IDEE C#CCN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 729335663 TVIPFTIOHQTWSM-KBPBESRZSA-N 429.325 1.995 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 732424200 GNKHGLPHERVVLZ-NXVVXOECSA-N 435.366 1.934 30 10 IDEE N#C[C@@H]1CN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCN1C1CC1 732697964 PMRSWDTVMZWMBR-MRXNPFEDSA-N 437.497 1.051 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 734292290 IZQNXHCOEHBVJL-UHFFFAOYSA-N 449.510 1.006 30 10 IDEE N#CCOc1ccc(Cl)cc1COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 735332982 MENQTCAHDGGULU-AWEZNQCLSA-N 439.877 1.451 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2nccc3ccccc23)c(=O)n1C[C@H]1CCCO1 740853382 QBNSKHWJQUBICT-QGZVFWFLSA-N 446.532 1.442 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1 741972596 XOUDHNQTTSFRLY-JYNAJPCDSA-N 432.480 1.857 30 10 IDEE COC(=O)[C@@]1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCN(Cc2ccccc2)C1 755776046 FFBMGFWPKGJACW-JRWGXLCNSA-N 440.500 1.227 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CCCCC1 760401278 SEJPKEHFWWJJOX-CQSZACIVSA-N 445.588 1.821 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cn(-c2ccccc2)nn1 761475528 XAXNISKTUGBWAD-HNNXBMFYSA-N 438.513 1.963 30 10 IDEE C[C@H](/N=C1/S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1)c1cccs1 768415417 AWFADQSSDDQEKM-PPFUGKOMSA-N 449.606 1.506 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(OCC(F)(F)F)c3ccccc3n2)CC1 771651303 DIOQFTVQACOHAB-UHFFFAOYSA-N 434.418 1.683 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 772481436 KEBKBEFWDOLTIE-WPCFGXOUSA-N 439.394 1.790 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](Cc1ccccc1)C(=O)O 776637757 BCELYFRMGRQTGK-INIZCTEOSA-N 429.498 1.565 30 10 IDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 780358243 DVWCTOOKLYTEDG-QGZVFWFLSA-N 431.474 1.055 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC(=O)N2C)cc1 781595970 PXJPIBPRPQNPQZ-IFXJQAMLSA-N 431.445 1.730 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)cc1 787913199 GNDMXNQTCSKZCX-AWEZNQCLSA-N 431.480 1.991 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@](C)(O)Cn2ccccc2=O)cc1 791128512 QLSDZBVOZKJISY-KTXUMSRNSA-N 432.502 1.051 30 10 IDEE COc1cnccc1N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 793153747 RYWREKQTLUGUNN-HOTGVXAUSA-N 430.509 1.681 30 10 IDEE CCn1nccc1CN(CCO)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 797617236 QXZYBIPYNUCMST-FCDQGJHFSA-N 448.549 1.742 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 806769339 IWKKQBRORBUADG-QGZVFWFLSA-N 445.520 1.885 30 10 IDEE CSC[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916774690 BZSKLBWQOCFFMV-IXDOHACOSA-N 449.554 1.411 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CSCc2cc(=O)n3ccsc3n2)cc1 916777514 ILJRBIVUXHZWDT-UHFFFAOYSA-N 434.524 1.507 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1136897218 NTHJFXZDGVRAPE-QGZVFWFLSA-N 448.524 1.658 30 10 IDEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)COc1ccc(C#N)c(Br)c1 1141871169 BVTIKQLXHYTRTQ-AWEZNQCLSA-N 428.308 1.945 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)n[nH]2)c1C 1148789957 PJTFSEBNSVXUED-UHFFFAOYSA-N 432.481 1.793 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(OC(F)(F)F)cccc3[nH]2)CC1 1152967240 BSOSCEYCUDIEMU-UHFFFAOYSA-N 430.408 1.292 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1157759691 CTFNIDRUUVESQW-XJFOESAGSA-N 441.406 1.277 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 1175515273 VGZOEQDUQGMGGT-JXFKEZNVSA-N 442.582 1.072 30 10 IDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC)C1CCOCC1 1219366754 KHISCTGFMSAJIS-LJQANCHMSA-N 435.546 1.820 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 1251189313 CMOCVFVYUQMSOI-QGZVFWFLSA-N 428.917 1.725 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1286296897 SJKPLPRLIYXNFB-IAGOWNOFSA-N 448.568 1.913 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286314876 SOONMONXYHTUSY-IERDGZPVSA-N 449.552 1.929 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286445540 MXWYHBUETSQPTM-FHWLQOOXSA-N 429.544 1.978 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286509544 SUWMRRGBXQPPJR-NVXWUHKLSA-N 434.591 1.622 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286606368 NSVFYBPTXYNOSS-SFHVURJKSA-N 436.520 1.415 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286784786 UBDFDMSRJQRUNV-KRWDZBQOSA-N 437.548 1.036 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286784933 YVPOBJUURMIMIJ-MRXNPFEDSA-N 426.521 1.751 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286786598 VBURUCNRPBSYEA-UHFFFAOYSA-N 425.537 1.968 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286792210 QVQIKFXBAGOOCA-KRWDZBQOSA-N 444.511 1.793 30 10 IDEE C[C@H]1N(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1291317486 PRFSMOYKLDRAQW-MEUCICPISA-N 437.504 1.870 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1294077175 OGNALLKZGSNXGI-XOMICKMZSA-N 439.520 1.815 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](COCCOC)C1 1295067646 XQZYMELKYLQHPI-SFHVURJKSA-N 426.521 1.784 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1295164892 HGBPCVXXIUAGCR-GOSISDBHSA-N 440.533 1.512 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCn1cccn1 1297777892 DIEXKTDDLAAINB-UHFFFAOYSA-N 428.522 1.089 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1300308496 CJUARUFGIGONFR-GSHUGGBRSA-N 449.552 1.850 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300381921 KQZXKHLRSSXKLK-WDSOQIARSA-N 430.553 1.846 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOCC1(C)C 1300459451 DALNXCSRHJNHKT-UHFFFAOYSA-N 445.593 1.418 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1300555975 ATWHFDFGMHUSIA-INIZCTEOSA-N 433.509 1.569 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCn3ccnc32)CC1 1300682294 JZHKJZGBPRCXKW-SFHVURJKSA-N 438.580 1.726 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300894508 DIEULAXDHOVFEP-FUHIMQAGSA-N 440.566 1.146 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)c1cc(F)c(F)c(F)c1 1301412106 MJJQMLWKGOKHNG-OAHLLOKOSA-N 441.431 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301490904 HVUJCRGOTAWYPO-SFHVURJKSA-N 426.569 1.180 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1301492977 STOWNKXJDXWDCQ-UHFFFAOYSA-N 442.520 1.322 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](COC)C1 1301496887 JTOSRLNEYAIIOH-IBGZPJMESA-N 437.504 1.285 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301507033 UIRBLZCSYQXTBQ-SBUREZEXSA-N 441.532 1.564 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@@H]21 1302383779 JWUILZGQGGBHSU-HPJZSTCWSA-N 428.537 1.963 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1302464944 HKHGDUYSGZMONC-SFHVURJKSA-N 444.561 1.415 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCCCCO)CC2)c1 1303000543 PNIMGBTUYGDKAT-IBGZPJMESA-N 425.537 1.928 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1303066491 HJPSAWJSIDWJBB-QZTJIDSGSA-N 439.582 1.752 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCCO1 1305148979 LQJBMHRTUJHGAN-MRXNPFEDSA-N 433.534 1.493 30 10 IDEE C#CCN1CCN(C(=O)CN[C@]2(C(=O)OC)CCc3cc(Br)ccc3C2)CC1 1307941242 SFDPDWBKENCXFF-OAQYLSRUSA-N 448.361 1.217 30 10 IDEE CC#CCCNC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1312524762 DAQRHLGDLMBJJX-QZTJIDSGSA-N 433.553 1.977 30 10 IDEE CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1314486707 OAWKHSWFSXJUHN-IAGOWNOFSA-N 426.525 1.585 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1315734393 CVCAPGQFGTVAQV-VQTJNVASSA-N 438.532 1.960 30 10 IDEE NS(=O)(=O)c1ccc(C=NNC(=S)NCc2cccnc2)cc1Br 1324048310 CVCLRLBHGJAPFF-UHFFFAOYSA-N 428.337 1.490 30 10 IDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)Cc2cccc(OCC#N)c2)CC1 1354999818 CWNRNTQWKLYRFW-UHFFFAOYSA-N 430.505 1.765 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccccc1F 1358976539 HVMBQZULEOKVTO-UHFFFAOYSA-N 448.458 1.648 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359036943 OSFCTZNEPRSDFX-JOCHJYFZSA-N 437.592 1.376 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C(C)C)N2CCCC2)CC1 1359040532 YVRSFWSMNYWUQW-FKBYEOEOSA-N 444.624 1.878 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359049572 RYFNPGDLUGOZOX-FQEVSTJZSA-N 434.654 1.999 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(O)cc2)CC1 1359131763 DNPDDBOWLVBBDP-LJQANCHMSA-N 426.521 1.854 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1359345564 JZQRWSZPDGUSDS-UHFFFAOYSA-N 447.609 1.704 30 10 IDEE C#CCN1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 1455946006 OIJOUQXINWEVAL-FQEVSTJZSA-N 447.333 1.430 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)CC1 1469746839 SNEIOAGCHKRVIW-KRWDZBQOSA-N 430.933 1.971 30 10 IDEE CNC(=O)CN1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 1471979281 ZYZDPJONYIDASM-UHFFFAOYSA-N 439.476 1.266 30 10 IDEE N#C[C@@]12CN(C(=O)NCc3nc(C(F)(F)F)n4c3CCCC4)C[C@H]1CS(=O)(=O)C2 1479139549 WTVAEKLEJMFPHH-ZBEGNZNMSA-N 431.440 1.318 30 10 IDEE CCN(CCCn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1502182942 HLWXAJOFMKFKNT-UHFFFAOYSA-N 431.566 1.675 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1503695609 RVKYIWRHFFYAOU-UHFFFAOYSA-N 448.535 1.044 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507589992 AVHTUCUJDHECSO-KRWDZBQOSA-N 429.525 1.437 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCC[C@H]1CO 1507611387 PQLGHJWFXWSMJL-FQEVSTJZSA-N 435.536 1.227 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507628950 JFKIDHIQZZYGOC-INIZCTEOSA-N 426.502 1.620 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507633079 ATBGDOLNLGUBBH-HXUWFJFHSA-N 449.621 1.360 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC=C 1507667597 PFQJQEOATKHUMK-UHFFFAOYSA-N 429.502 1.070 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507693502 BYMRVXXVFOCOOC-UHFFFAOYSA-N 441.536 1.115 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)COC)CC1 1507740762 YSZZVFYDBLHBFO-OAHLLOKOSA-N 430.578 1.882 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(CCC)C(=O)C1 1508071140 BNDRENDWHNLNKE-UHFFFAOYSA-N 426.521 1.705 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccc(C)c2)CC1 1508085129 FTPIDLCMKDLJAZ-IBGZPJMESA-N 437.548 1.921 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1508128195 ZBZQCHOPSNSBSN-FGTMMUONSA-N 439.582 1.235 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CNC(C)=O)CC1 1508141383 VMBONPNNVFJSQP-UHFFFAOYSA-N 446.577 1.602 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1516829990 BPEGRXMPAVDPLH-UHFFFAOYSA-N 432.550 1.496 30 10 IDEE COCC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1518970531 XYVSLYKIORSVIR-GHTZIAJQSA-N 430.578 1.894 30 10 IDEE N#CC1CCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1521115654 YUMMQKICHGYKSW-QGZVFWFLSA-N 432.479 1.831 30 10 IDEE CC(C)C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 1523980635 QRRDYWQCGOWYGN-HLLBOEOZSA-N 440.504 1.422 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OC 1531945271 DZGJDKGXPSXVCO-CYBMUJFWSA-N 440.426 1.984 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)NCCO3)c1 1534106265 SJSQZORNSZEJQL-CLCOLTQESA-N 442.497 1.874 30 10 IDEE N#C[C@@]12CN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)C[C@H]1CS(=O)(=O)C2 1538308531 JQCBILMUQYFMKF-XOBRGWDASA-N 429.454 1.307 30 10 IDEE C[C@@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1538933610 PPSTWHXAOYCIQY-HNNXBMFYSA-N 447.561 1.736 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(S(=O)(=O)NC)c1 1539186106 CCQXYTROZZZCGP-UHFFFAOYSA-N 449.540 1.542 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539211764 KXJDRAUFWZTPHK-AEFFLSMTSA-N 431.562 1.531 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1539266847 TUEYYNPARJKWKE-XMSQKQJNSA-N 426.542 1.551 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1539359658 NGCAPCGXBVWZRO-OALUTQOASA-N 449.563 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539484574 VEJHIGVZIMCKEY-JOCHJYFZSA-N 440.573 1.375 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N(C)CC(=O)N1CCOCC1 1539578645 AZJMNKZTQNYKGH-CQSZACIVSA-N 446.346 1.206 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539629838 YNXABUMPZZPTJJ-LMMKCTJWSA-N 446.577 1.839 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1539632771 UCEGEKRZACHRCY-ZWOKBUDYSA-N 433.553 1.495 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1539632782 UDRPMDWPCPOLTA-UWVAXJGDSA-N 433.553 1.624 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ncccc2C)CC1 1539890924 VZAIYLXLTUXIAZ-LJQANCHMSA-N 446.577 1.765 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)C1 1540894806 FZRNNAXRSYRPJP-KRWDZBQOSA-N 428.493 1.091 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540901310 ZOTLJYFPEIBLKN-QGZVFWFLSA-N 432.550 1.436 30 10 IDEE Cc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1543139098 HKKRPCDQFXNIRB-VHEBQXMUSA-N 445.430 1.466 30 10 IDEE CN(C)CCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1552865986 BNKOKJCPFASRLM-FQEVSTJZSA-N 448.531 1.843 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N3CC(O)(CC#N)C3)c2C(F)F)C1 1556250187 JOVIWWWLWKSTKU-LLVKDONJSA-N 426.424 1.498 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1556635276 DEWDQCLIAVXIHT-ZGTROFRASA-N 428.436 1.664 30 10 IDEE C#CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCN(C)CC1 1558506194 ATMHKUIRBXJHSZ-UHFFFAOYSA-N 449.573 1.462 30 10 IDEE C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1567821753 WJVHQQICEJCPTI-QTSFNNJRSA-N 433.597 1.915 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)cs1 1568566129 VULGHRATIVNYQK-UHFFFAOYSA-N 426.470 1.948 30 10 IDEE C#CCOc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 1583100016 NPYXAYWPXZXYPC-UHFFFAOYSA-N 432.473 1.789 30 10 IDEE COC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c2ccc(F)cc2O1 1586373935 LYJACJUUFVDRDD-GOSISDBHSA-N 447.444 1.598 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1587847773 RWKROPCRJNPPAQ-QGZVFWFLSA-N 443.577 1.757 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1588806523 UGAIFEJOBLMKRF-RTWAWAEBSA-N 435.576 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCNC(=O)OC(C)(C)C)CC1 1588968522 MQCPMOFYJWGYFT-UHFFFAOYSA-N 434.541 1.305 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1589069642 NBMFQVJBCKAEPP-HZPDHXFCSA-N 434.591 1.274 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1594963850 YIDWLXCPBFJKJO-YCRPNKLZSA-N 434.541 1.687 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1595523650 ZYEAULLFPAXWCV-UHFFFAOYSA-N 433.534 1.269 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)F)CC1 1595550292 BXMKNCBEJBPKKR-QGZVFWFLSA-N 448.474 1.480 30 10 IDEE CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1615264495 FJXSTQKSEUHHKI-INIZCTEOSA-N 443.533 1.666 30 10 IDEE CCOC(=O)c1oc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1C(F)(F)F 1617076461 SSCPJYXGQJFKTO-UHFFFAOYSA-N 446.363 1.547 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1619995621 PECCSFKIUGOLLR-RJCBAWPRSA-N 444.536 1.909 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1620055655 XPSZIZXMLVAZKB-JOCHJYFZSA-N 427.505 1.600 30 10 IDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1620501371 CJSWIBADHGKIRX-IEBWSBKVSA-N 425.620 1.846 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCC#Cc1ccccc1 1629163507 BWNNNRTUNUNPAV-IPMKNSEASA-N 432.542 1.825 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)cc1 1633144829 JPXMVCUYDLSFLS-UHFFFAOYSA-N 435.527 1.636 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(C(F)F)no1 1638589886 TWHOHHJRQJYRIX-UHFFFAOYSA-N 427.433 1.923 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1638656452 NZYFPTXWZMHRRZ-KRWDZBQOSA-N 442.965 1.803 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 1640202353 ZFYJJKCMOLXFQO-NRFANRHFSA-N 437.462 1.548 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)COC1 1640964027 ROYHAMAETKGQNF-UHFFFAOYSA-N 437.518 1.788 30 10 IDEE CCC1(N2CCOCC2)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1642107136 BMTKKEVONBYULC-QGZVFWFLSA-N 434.562 1.328 30 10 IDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@@H](O)c1cccc(C#N)c1 1643725689 JSNKFQZYIRRMDN-FOIQADDNSA-N 430.530 1.801 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](O)CC2(CCOCC2)C1 1644275757 YJURNWARAVJKFJ-WMZOPIPTSA-N 449.573 1.674 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 1645146083 GIPTXAXYZCAHGU-HTZUNMPGSA-N 449.529 1.042 30 10 IDEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1646440151 XSWPUWHOYCVBOL-WFXMLNOXSA-N 433.530 1.724 30 10 IDEE CC[C@@](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)(C(=O)OC)c1ccccc1 1651071836 CMJXQIRBJUQCJZ-NRFANRHFSA-N 429.498 1.474 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 1679266561 FOWKHCZTBVQSGV-LJQANCHMSA-N 449.577 1.315 30 10 IDEE CC#CC[C@H](CO)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1681378357 JMFOLOKGSNNBTO-CYBMUJFWSA-N 426.311 1.651 30 10 IDEE CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1682246292 KZKUZWBKWLWCCM-JXFKEZNVSA-N 438.550 1.523 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1689847979 MLJOXIRMSFLDLK-WNSKOXEYSA-N 433.516 1.611 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689988220 LEEUUGPSEVNAFT-YLJYHZDGSA-N 432.550 1.120 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1689988977 ZSWLAYIZEHLDLM-FQEVSTJZSA-N 427.574 1.892 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1690019481 JXRBNMKFWVBXEA-LJQANCHMSA-N 445.520 1.066 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1690054981 KZTYDAZSEZTNIW-QGZVFWFLSA-N 430.505 1.894 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1690067919 PSDDOWDVNFCXNY-UHFFFAOYSA-N 449.602 1.792 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCCN2C2CC2)CC1 1690110738 XVBGFTMUEZLOEH-OAQYLSRUSA-N 441.624 1.969 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCC1CCOCC1 1690658835 BGWSWMDOTHYSJV-UHFFFAOYSA-N 427.509 1.481 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1690669374 CGUJBJMYCNNJCR-QGZVFWFLSA-N 439.476 1.609 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1690678184 NPHXIDWPMPCMEC-SJLPKXTDSA-N 433.553 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(C)C)C1 1690714503 NLXFNZFOIMRFKY-INIZCTEOSA-N 448.549 1.387 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)[C@@H](F)C1 1690726670 IKYFQUGHZUTPBR-WBVHZDCISA-N 432.525 1.912 30 10 IDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 1690744006 IAQINISWAFFUDP-UHFFFAOYSA-N 442.593 1.650 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696899028 FERYXTUOXLQEJG-QGZVFWFLSA-N 438.536 1.495 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1=O 1698087620 IEEKXGYPOVKYOT-HKUYNNGSSA-N 438.532 1.927 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C[C@H]1OC 1698288040 CDVHSZOUBNISGX-AHRSYUTCSA-N 426.521 1.387 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1705568204 JFRZOGYRLPDNQQ-SFHVURJKSA-N 434.566 1.193 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1705571087 WOFDDPYEMTWWDQ-SFHVURJKSA-N 426.546 1.799 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1705626513 YVYIESLZPNZTDW-UHFFFAOYSA-N 433.516 1.706 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)OCCc2sccc21 1705627291 BYJCEHXPTCQHJK-IIBYNOLFSA-N 429.546 1.865 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1705656556 BEUAASAMRKDEMC-OAHLLOKOSA-N 427.530 1.750 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705829767 BUCVXDGIQWYDAU-KRWDZBQOSA-N 427.571 1.630 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1705832248 RKFMERDRZYVKSA-UHFFFAOYSA-N 440.552 1.418 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C)C1CC1 1705855010 UATGABLPDLSHRV-INIZCTEOSA-N 427.571 1.581 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369166 VNVDYOXZQKGDRM-KRWDZBQOSA-N 445.593 1.957 30 10 IDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722451971 QLPJEIMTHTUZNZ-OAHLLOKOSA-N 432.550 1.025 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722452921 MFULPMGTAGJKQH-UHFFFAOYSA-N 443.577 1.499 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@H]2CCOC2)CC1 1722727869 PBCHKCMYLKHRJM-KRWDZBQOSA-N 432.550 1.589 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(C)(=O)=O 1722948376 CQSHSYWUTIWOBW-UHFFFAOYSA-N 431.566 1.505 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC(F)(F)CO1 1723597459 QMZXQWMESOMKFX-AWEZNQCLSA-N 447.446 1.375 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1726742549 KOOIGYLLUZVNRU-QFBILLFUSA-N 443.577 1.429 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1729250826 YHLYDKSRCXOAES-BJLXPSRBSA-N 429.550 1.491 30 10 IDEE COCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730928336 MLLLAVUZDGJBIU-LJQANCHMSA-N 428.512 1.848 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1731179224 BFEOMGGOBKDAKD-HRAATJIYSA-N 425.468 1.378 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740565169 LFRNYPWQBABHJO-KRWDZBQOSA-N 429.569 1.009 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1740573669 GDOKZOOXANDPSU-MRXNPFEDSA-N 445.536 1.896 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740598634 YDGMYEDSSCLITO-LEWJYISDSA-N 430.597 1.774 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1740626966 ZHQRMHYQXYJKMJ-LJQANCHMSA-N 433.622 1.979 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cn(C2COC2)nn1 1740635479 OXCHEOUMMBGNBS-UHFFFAOYSA-N 433.472 1.246 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1740656849 NRHYIAZZAUQGEO-LJQANCHMSA-N 440.569 1.919 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740796076 NEULORJWSNBROM-OAHLLOKOSA-N 445.549 1.076 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1N(C)CCCC1(C)C 1740900302 PCZQWMHGVLEPGO-IAGOWNOFSA-N 440.614 1.354 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1741129536 FBDBUTAUNVPGNE-DOMZBBRYSA-N 427.900 1.764 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1748319205 GNSUONRHCSSCEK-QRQCRPRQSA-N 425.489 1.746 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)COc1ccccc1OC 1748790851 NRJTXIAQJUXFQC-DLBZAZTESA-N 432.546 1.973 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748815760 TXIWILJZIDXWCU-RDJZCZTQSA-N 431.493 1.043 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1748864118 QHECMKAIQFJCCV-GOEBONIOSA-N 434.591 1.920 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2nc(C(C)C)cs2)CC1 1748994676 MTRSJFRPERJDAJ-UHFFFAOYSA-N 427.578 1.784 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749118343 FRCVQIIOWDTEQB-BQFCYCMXSA-N 439.520 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(F)F)C1 1749721987 YDMGALMXCVUKJA-CQSZACIVSA-N 431.509 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(c2ccnn2C)CC1 1749730516 HENBIIOIVVRWOB-UHFFFAOYSA-N 429.550 1.992 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1749756568 ZMKXPRVDXHPFNH-INIZCTEOSA-N 441.623 1.911 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(CC)S(C)(=O)=O 1760107272 MKEZFXKAUKGWBS-OAHLLOKOSA-N 433.534 1.803 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1760113158 QPQCQKPVINCAIR-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1760189786 WTJUPKTUWPWNMW-IAGOWNOFSA-N 449.602 1.806 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760200467 JRTVTLAXHCARFT-QFIPXVFZSA-N 427.512 1.881 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1760219364 CEADVZKHLNIVSW-XQBPLPMBSA-N 446.573 1.371 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1760238355 RZWRANOAGGDCLH-NRFANRHFSA-N 436.560 1.475 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCOC2)CC1 1760254587 BUHRYZXJFHGDBX-NRFANRHFSA-N 433.459 1.453 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760277646 BTWKBCVXYJVVQK-UHFFFAOYSA-N 448.556 1.527 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760306730 KCVROKUNEOFPMT-ZDUSSCGKSA-N 435.326 1.737 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760453074 XGWUZKWWOUXGEP-XMSQKQJNSA-N 433.553 1.768 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760552462 OSNJBZIAFYFPCU-UHFFFAOYSA-N 428.518 1.609 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760554164 UBHNVDUVEZBARF-INIZCTEOSA-N 448.549 1.526 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1764365697 FZOUQIWSOOGWPS-KMAZBDISSA-N 444.536 1.704 30 10 IDEE C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1770365359 AEXXOTFTNNTVSU-NDEPHWFRSA-N 433.559 1.209 30 10 IDEE CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1770521486 MWVGZPHHXLASHP-DCOQFNDQSA-N 447.565 1.275 30 10 IDEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c1 1849810276 DVCDLPAGWNDWDW-SFHVURJKSA-N 432.546 1.775 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(c2ncccc2C#N)CC1 1851869313 RTAVLUIUYUCCLS-CQSZACIVSA-N 433.921 1.622 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@H]1C 1854259166 WIBQGQGTMFMCKD-PBHICJAKSA-N 425.938 1.738 30 10 IDEE N#Cc1cccnc1C1CCN([C@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2=O)CC1 1854999526 PJLOPKFMJGFUKN-ROUUACIJSA-N 430.530 1.085 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CN2CCOC2=O)CC1 1855593981 XGWQZTODTKRBTG-UHFFFAOYSA-N 433.486 1.285 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCOC 1870549425 CTAPKFYXJQNUBP-FQEVSTJZSA-N 433.549 1.685 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1cccc(N(C)C)c1 1871034472 RAYPAXAMNGNNGM-UHFFFAOYSA-N 426.517 1.950 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871565880 UIRZWVDAXBNRJW-UHFFFAOYSA-N 443.552 1.637 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874430216 YHJVWQHNBCCLJG-AWQFTUOYSA-N 449.493 1.371 30 10 IDEE CCc1nnc(SCCO)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874529057 PSMYWKNSCGMONQ-RCCKNPSSSA-N 435.550 1.527 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCCN(CC)CC)ncnc21 1875229445 ZHZAPHAHDNMHTO-UHFFFAOYSA-N 443.596 1.511 30 10 IDEE Cc1nn(C)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 1881501665 RHXQHTMPMZCZAB-OLZOCXBDSA-N 427.347 1.936 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)CC1 1889404206 QISUARYXMBBMNU-OAQYLSRUSA-N 438.572 1.298 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NCCCn2ncccc2=O)[C@H]1c1ccc(C#N)cc1 1892053151 CDXNHXCZSNXMIK-RTWAWAEBSA-N 439.541 1.715 30 10 IDEE COCCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2060621142 KKSWUWRJNVSPID-UHFFFAOYSA-N 436.318 1.598 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2124538744 MVHDSDBWUWTHQR-HIFRSBDPSA-N 448.329 1.644 30 10 IDEE C=C(CNC(=O)c1nc(S(C)(=O)=O)ncc1Br)B1OC(C)(C)C(C)(C)O1 2197724780 AUWFCFWHDUEPKK-UHFFFAOYSA-N 446.132 1.560 30 10 IDEE N#C[C@H]1CCN(S(=O)(=O)NC2CC3(C2)[C@@H](NC(=O)OCc2ccccc2)C3(F)F)C1 2207115633 AFEJFVWOCMNROQ-JBCIKUTRSA-N 440.472 1.759 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243434908 HHEQRAIUGGJCIU-QDMKHBRRSA-N 428.360 1.959 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2255538690 ODNJEGPKRCLDEM-NRFANRHFSA-N 438.330 1.893 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255596606 NANANKQEJBDVGF-NSHDSACASA-N 448.251 1.894 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255811994 LNHCKLNFSDKWAS-CVEARBPZSA-N 433.314 1.403 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2(C)CN(C(=O)OC(C)(C)C)C2)n1 2267122525 MEMFMDNOXVDJRK-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267270133 JNOQJKBCZLHOCM-INIZCTEOSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267270509 MGYDIACIMDQNAL-QGZVFWFLSA-N 447.341 1.747 30 10 IDEE Cn1nc(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267537470 QGSLZBIHHFIJAA-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267545193 FTOCSNNISJFBKY-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)[C@H](O)C1 2267808758 CLDAQCGDPIRHIV-DOTOQJQBSA-N 448.325 1.401 30 10 IDEE C=CCOC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270505311 DQVPNNQSTJYTCX-QGZVFWFLSA-N 426.491 1.363 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2272631869 BGXDMKZVQACNKE-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE C[C@H](C#CC(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302374723 KECHMNUWZTZVPE-SPLOXXLWSA-N 439.509 1.874 30 10 IDEE O=S1(=O)CC[C@@H](NN=Cc2cc(Br)c(O)c(Br)c2O)C1 2320842318 QTKNONHUHHXKJF-SSDOTTSWSA-N 428.102 1.733 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OC 2329013027 DXPSERJMDVPULV-AWEZNQCLSA-N 446.533 1.479 30 10 IDEE CCOc1ccc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)cc1 22694678 OKGNPFRQRSJVJW-UHFFFAOYSA-O 430.550 1.939 30 10 IDEE CC(=O)O[C@@H]1CO[C@H](OC2=CC(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 34876774 PBVBOLVTNHFTRS-CWJKEVGVSA-N 432.381 1.118 30 10 IDEE biogenic COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59887570 GLQCBKLHKPTIHV-KEBDBYFISA-N 444.521 1.796 30 10 IDEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)cc1 59914367 SBVQGJCPYPXPGR-UFFVCSGVSA-N 443.537 1.283 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 71946160 SXSULFQMTATEJY-UHFFFAOYSA-N 434.319 1.856 30 10 IDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)[C@H]1CCS(=O)(=O)C1 111046470 GERDQVWYZCFEIQ-INIZCTEOSA-N 429.498 1.270 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 169820006 HDOBWRDCBSXJLA-HXUWFJFHSA-N 430.464 1.478 30 10 IDEE N#CC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 441055172 YVJXHECHFGWAKN-UHFFFAOYSA-N 435.506 1.941 30 10 IDEE COCc1nc([C@H]2COCCN2C(=O)NC2CCC(Oc3ncccc3C#N)CC2)no1 446631572 NMKWYVZVQJLTSF-OFLPRAFFSA-N 442.476 1.956 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 461345982 VPZNHGKZIJXABU-INIZCTEOSA-N 445.516 1.264 30 10 IDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)[C@]3(C#N)CCOC3)cc2)C1 471945242 VXDITWHDYHXGFR-MDZRGWNJSA-N 441.575 1.656 30 10 IDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 476942598 FZSFGRFSMNLXGG-CQSZACIVSA-N 432.502 1.931 30 10 IDEE N#Cc1ccccc1Oc1ccccc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 480160439 LSJIYHNMIRLDHI-UHFFFAOYSA-N 434.496 1.967 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 483383168 SPHLJZXCIIVXLH-QGZVFWFLSA-N 427.530 1.956 30 10 IDEE COCc1nc([C@H]2COCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)no1 501926844 VYRWQZPEHRFCOC-QGZVFWFLSA-N 427.461 1.843 30 10 IDEE CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505275438 SLQCRCQMROYHDW-UHFFFAOYSA-N 436.534 1.815 30 10 IDEE Cc1c(NC(=O)[C@H](C)SCC(=O)N[C@H](C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 505937562 GZMXNFHZYMIMDS-WMLDXEAASA-N 427.530 1.963 30 10 IDEE COCCNS(=O)(=O)c1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 506730228 LAUUZEKOWVBUGW-UHFFFAOYSA-N 431.489 1.970 30 10 IDEE CC(C)CN(C(=O)CNc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCS(=O)(=O)C1 510133776 KCWHKCLYVSCMSF-OAHLLOKOSA-N 433.509 1.967 30 10 IDEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1 524672313 VCRIHWSDMOZIQN-UHFFFAOYSA-N 444.332 1.856 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 553887451 SIYNTKQUIJBVKJ-GFCCVEGCSA-N 440.469 1.126 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](n2cncn2)C1 565449034 FVIWLNKTVXTDMN-KRWDZBQOSA-N 442.549 1.814 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 572802512 FAWCYVOKIIXPKS-INIZCTEOSA-N 431.470 1.634 30 10 IDEE C=CCn1c(Cc2noc(-c3ccc(C(=O)OC)c(F)c3)n2)nnc1N1CCOCC1 612908112 BRRTUPSENRDYHE-UHFFFAOYSA-N 428.424 1.867 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NCC#CCNC(=O)[C@H](C)Oc1ccccc1C#N 614022024 JIXJYFFYPQKXRM-ROUUACIJSA-N 430.464 1.901 30 10 IDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 614563455 ZTVLEQVNXGOJCR-HNNXBMFYSA-N 425.316 1.545 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)cc1 729668411 IROWTVMUZSPJRC-UHFFFAOYSA-N 435.896 1.449 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734565657 SRDXSXUFAGWAFJ-FQEVSTJZSA-N 445.497 1.737 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(N3CCCCC3)CCN(C)CC2)c1 742136252 VJTCGJLTEVATSQ-UHFFFAOYSA-N 432.590 1.278 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)CC(=O)O 757379770 JRWMTUFRQIFXNG-QVKFZJNVSA-N 436.464 1.869 30 10 IDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 757386291 IAZBXLCVQFPKHX-ZIAGYGMSSA-N 432.502 1.251 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC[C@@H](C)CS(C)(=O)=O 757952583 MALILFSRYSLKIL-HIFRSBDPSA-N 430.548 1.364 30 10 IDEE C=CCC(CC=C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 758423871 RMUFBCCQYGWMGU-UHFFFAOYSA-N 440.587 2.000 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)CC2)n1 760685096 IRHMHYQOTPXGTL-UHFFFAOYSA-N 442.492 1.049 30 10 IDEE CC#CCCCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 767297666 KMAVWKMHCFQALP-UHFFFAOYSA-N 426.560 1.425 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 783350245 HOJVZUBFCQVRDA-UHFFFAOYSA-N 431.518 1.327 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2cc(=O)oc3cc(NC(=O)OCC)ccc23)CC1 795704958 SQJDFNWONBGMDD-UHFFFAOYSA-N 428.489 1.781 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 805149174 YBMIAALBCIMFPS-IBGZPJMESA-N 429.546 1.507 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 809925731 BQLPHMLNGFVVRD-OWCLPIDISA-N 448.524 1.707 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(C)c(C)c3)CC2)o1 914683857 LEJWNPKYGWKPJR-UHFFFAOYSA-N 439.472 1.093 30 10 IDEE C#CCO[C@H](C)C(=O)N(Cc1ccccc1OC)c1c(O)nc(=O)n(CCCC)c1N 1124166524 HQUGVPODPONGGJ-OAHLLOKOSA-N 428.489 1.911 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 1141351373 JAARPRPSGVHFGB-UHFFFAOYSA-N 429.351 1.909 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1=O 1156253602 FHWFDHDCTRSWDE-QZTJIDSGSA-N 441.532 1.936 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(c3cccc(Br)c3)C2)cc1 1171023868 DLKRTLDASYBLMF-UHFFFAOYSA-N 449.326 1.704 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1233928089 MWTAQLYZFQSEQS-MRXNPFEDSA-N 442.438 1.889 30 10 IDEE O=C(NCc1cn(CC(F)(F)F)c(=O)nc1O)N1CCN(CC(F)(F)C(F)F)CC1 1255585987 AGJMYMMSGRHZLW-UHFFFAOYSA-N 449.327 1.239 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCOC 1286278862 HQBYGYLEFSGWFS-IERDGZPVSA-N 449.577 1.441 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286356336 OHWVJOLFSFBMQZ-QGZVFWFLSA-N 439.545 1.785 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286394045 MWRWXRJBFSDOJM-IBGZPJMESA-N 441.557 1.710 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CC 1286418852 RFUINHBDWWRBEW-JOCHJYFZSA-N 443.573 1.819 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1286476602 AADJCGWIPINRLI-UHFFFAOYSA-N 426.525 1.357 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)CC1 1286508289 PVZXDLUOKQRMID-UHFFFAOYSA-N 426.590 1.931 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1286599906 DTNUQAHUUGETHS-SJLPKXTDSA-N 441.598 1.734 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286611613 MCWUTAHQSXWUTN-SFHVURJKSA-N 441.598 1.878 30 10 IDEE COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1288227833 ZVELHBFVGPFOKK-KKSFZXQISA-N 434.924 1.370 30 10 IDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1=O 1298880152 ZCZRCHQFLUWMQU-QHCPKHFHSA-N 446.515 1.676 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300411558 UHAYSFVLOUQJMQ-RBUKOAKNSA-N 435.594 1.142 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300493043 QGEYQUDOCAQQIL-CYBMUJFWSA-N 428.440 1.704 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1 1300597278 BDSKZJBDDXYYRR-UHFFFAOYSA-N 449.964 1.898 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCCC1 1300656807 NZOQWAWQMUZHNI-UHFFFAOYSA-N 426.477 1.985 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1300990889 NGGQFIABKXNMMX-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1301542445 NWDZOFYDKTYWQE-GOSISDBHSA-N 432.488 1.751 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1301892045 SRAKSPIAUSCRSH-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 1303025746 HWQJHVVCFOSVAJ-UHFFFAOYSA-N 430.570 1.953 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCc2ccccc2C1 1303411140 HQNHKSBETIFWFN-HXUWFJFHSA-N 437.548 1.593 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(=O)c1C#N 1306833346 CJDNMQRAZFYXPM-TXEJJXNPSA-N 433.262 1.121 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 1309598914 YHUNYIPUBGWFBD-UHFFFAOYSA-N 439.843 1.294 30 10 IDEE COc1ccccc1OCc1nnc(N(C)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1315645457 AGTALTMOEHMRQH-MRCUWXFGSA-N 438.488 1.991 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N(C)C 1316186919 SDGMWFGHAUWPHR-CQSZACIVSA-N 443.508 1.015 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 1318239318 GUTPPUQRXBTLJK-UHFFFAOYSA-N 431.436 1.533 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1320064035 TZETXFMNVMVQDK-IRXDYDNUSA-N 428.938 1.677 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1323726724 COKNQEUHPWICBG-OAQYLSRUSA-N 443.569 1.950 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)c1 1354870837 CLUPXNPOGKOLBD-UHFFFAOYSA-N 433.511 1.453 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 1358949219 VZQCLTFEISOELH-VQTJNVASSA-N 427.574 1.914 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(F)(F)CO1 1358976216 VLUYJLGDOYNUOD-HNNXBMFYSA-N 448.499 1.735 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OCC(F)(F)F)c1 1358977730 UZDDQTCLLYFZMT-HNNXBMFYSA-N 432.406 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1359296774 UJIKEOZQILHCBG-CQSZACIVSA-N 429.477 1.264 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359318818 MYVPUUJAWQDBQI-RDJZCZTQSA-N 425.493 1.418 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359333844 LUBSXJYNRXAZOU-LJQANCHMSA-N 435.575 1.390 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1359493006 DXTKWRZNVIPFKR-FQEVSTJZSA-N 431.472 1.610 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1360201084 ZUVYGNVNFQKJTG-KIJUOZEOSA-N 443.552 1.815 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)CCOC1 1360347657 LDAOTFYNRAQQAZ-PXNSSMCTSA-N 436.582 1.096 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1438347806 WUVFRGSYOQTXKL-SFHVURJKSA-N 427.505 1.285 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cscn3)CC2)s1 1442239219 REFAYUHSIAAKPV-UHFFFAOYSA-N 426.589 1.556 30 10 IDEE C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451445193 LAGIGTMMZKLDCB-YVHKJVDXSA-N 436.553 1.708 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 1455514027 XLPMEUIFFUGMLZ-QFIPXVFZSA-N 446.525 1.339 30 10 IDEE COc1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc(OC)c1OCC(N)=O 1461652431 PTGPUZBMUPPMRH-UHFFFAOYSA-N 439.468 1.875 30 10 IDEE C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1463913450 IBWRJXOGEVFLOA-UHFFFAOYSA-N 427.935 1.994 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)c1 1470671248 DZVCXSWMGCBUFG-RXVVDRJESA-N 427.530 1.102 30 10 IDEE C=CCCC[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1471892839 DMSOVPQOMSQFIA-HNNXBMFYSA-N 426.491 1.140 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 1475950869 SAINTNVSLATQHI-OAQYLSRUSA-N 437.525 1.959 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1494236948 VNRCWJWOKBOENQ-BBRMVZONSA-N 425.518 1.747 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1494595048 ULLNJCQZQWWDEV-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE CCOCc1nnc(N2CCCN(CC(=O)N(CC)CC)CC2)n1Cc1ccc(C#N)o1 1503093306 FLUTWNOHXTWFOG-UHFFFAOYSA-N 443.552 1.708 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1503160473 WJMFRBLKSYVYPX-YUMLTWSLSA-N 430.509 1.171 30 10 IDEE CN1C[C@](C)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1=O 1503676660 YDNJHPBGGRFZJO-HSZRJFAPSA-N 436.564 1.938 30 10 IDEE COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504858249 XEQCQWYBGLSMKP-MRXNPFEDSA-N 441.536 1.285 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507630506 APMDWNRTLYFUSI-INIZCTEOSA-N 444.586 1.978 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507636107 YWGJYCXLGYUQEV-YLJYHZDGSA-N 434.587 1.718 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(CC)CC 1507648589 QCUMXRCKDCDTOP-UHFFFAOYSA-N 431.544 1.997 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(N2CCOCC2)CC1 1507706257 KEVDSFHKECKJLV-UHFFFAOYSA-N 425.533 1.905 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cnn(C)c2C)CC1 1507737706 CIROJWXXKLQKLM-IBGZPJMESA-N 425.537 1.576 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1507751741 MVAOSYFISUTHQI-UHFFFAOYSA-N 444.542 1.195 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1507801161 RNJITOARWWQLCR-WIYYLYMNSA-N 440.548 1.925 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1507937603 VSXHQKVNCGBDNY-INIZCTEOSA-N 428.541 1.780 30 10 IDEE COC(=O)CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C1 1520809978 BVTOMJAICIKRLC-HOCLYGCPSA-N 432.908 1.660 30 10 IDEE CSC1([C@H](C#N)N(C)C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CC1 1533088072 ZDEBAOPGPJKKQW-SFHVURJKSA-N 436.603 1.693 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1539219238 BPGBOVJDTNVYPH-CVEARBPZSA-N 433.534 1.316 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1539221583 QFSVVMKNAXVHKQ-HOTGVXAUSA-N 429.502 1.312 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)noc1C 1539258391 WLPRNVBGGNKWFJ-UHFFFAOYSA-N 437.529 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1539328199 MWCLQHOMUBZJLE-UHFFFAOYSA-N 428.496 1.883 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539453005 AVJDGQGMZDXZFL-GOSISDBHSA-N 439.564 1.932 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1539454404 MXHGQPCXQPGJGZ-UHFFFAOYSA-N 441.601 1.786 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCc2cnn(C)n2)CC1 1539475295 AVCSBVIEAUHCBB-UHFFFAOYSA-N 446.559 1.981 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 1539766163 PAKCPNTYWFESLK-HRAATJIYSA-N 444.561 1.318 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1540047365 HQEJBSGOWBJRIW-MRXNPFEDSA-N 442.655 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1540904835 ORZKQXCQBVTWCO-MRXNPFEDSA-N 438.598 1.508 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1541109287 DGJFWLVYIVITHH-HNNXBMFYSA-N 429.506 1.649 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1541127080 ZRYPBEVNIYKARA-SFHVURJKSA-N 442.516 1.182 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCSCC(F)(F)F 1541675807 YFPIMVDUPGUEMC-AWEZNQCLSA-N 445.515 1.888 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1556172043 MJBZZLYIYDQDMO-JPYJTQIMSA-N 442.516 1.932 30 10 IDEE COCCN(CC#N)C(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1556908105 ITSQYYKFKYFUHA-INIZCTEOSA-N 445.545 1.543 30 10 IDEE COc1cc(N)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1S(C)(=O)=O 1558466203 WTZOFKVPPPYJJY-AWEZNQCLSA-N 429.502 1.664 30 10 IDEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1565629661 FOTMUJPUKFYTKB-AQNJYJFJSA-N 427.486 1.600 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1587574695 KNZXRKNHAOPNFA-LLVKDONJSA-N 429.344 1.053 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1ccnn1 1587662089 KOTMWYYZVMREBL-NRFANRHFSA-N 447.591 1.783 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCNS(C)(=O)=O 1588269598 STTWXUDSIZXLEB-KRWDZBQOSA-N 436.534 1.448 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1588314993 XLKQFCFCRNXROJ-UHFFFAOYSA-N 426.502 1.957 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2OCCC2(C)C)CC1 1588961943 QDPYKVHHUNSZMF-GOSISDBHSA-N 442.564 1.181 30 10 IDEE C=C(Br)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)C 1589460821 WHCHGPQLJWIYSG-LBPRGKRZSA-N 425.331 1.957 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1594956530 NFQDWBMPUJXELL-OAHLLOKOSA-N 442.586 1.564 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1595550730 IMIQBRNWCJAVOM-UHFFFAOYSA-N 430.475 1.674 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1 1595760756 RVYHPKFULAGZFV-HUUCEWRRSA-N 433.600 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595778086 WCASFAXIPOMQPZ-ZWKOTPCHSA-N 429.546 1.603 30 10 IDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1595871012 CLLCFSDXVLZWGI-UHFFFAOYSA-N 429.594 1.826 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(c3nc(C)cc(O)n3)CC2)CCCN1C(=O)OC(C)(C)C 1596360683 SVRTUXFMCMXKPS-JOCHJYFZSA-N 429.521 1.932 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1596850477 OWEJFIBMFWOAFA-FSNCLGKMSA-N 447.584 1.711 30 10 IDEE CC(C)n1ncc(C(=O)N(CCC#N)CCN2CCOCC2)c1I 1598065789 OIHOESSFHAHHPF-UHFFFAOYSA-N 445.305 1.757 30 10 IDEE N#Cc1ccc(F)cc1N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1611766396 OBDCUWBGFAUCPQ-UHFFFAOYSA-N 431.493 1.440 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2nsnc2c1 1613594237 DURSUJLDDFKWQL-HNNXBMFYSA-N 440.533 1.978 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1618506199 HPWFMCCYCDGDEZ-UHFFFAOYSA-N 448.535 1.823 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)CC1 1619546876 GKEWOZQPWNHQKM-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1619834281 GPNSMYJKCRIBFV-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@@H](O)C2)c1 1620150144 DZMMPDCUOKOEGD-KBAYOESNSA-N 445.545 1.628 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(F)c1 1626467228 RYVPBXYQTFGBEX-UHFFFAOYSA-N 447.448 1.233 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)CC1 1632966155 JIHAQMRRALZFQI-HXUWFJFHSA-N 444.598 1.175 30 10 IDEE Cc1ccc(C(=O)NCc2cccc(C3(C)OCCO3)c2)cc1S(=O)(=O)NCC#N 1637944075 WXSZJLFXOZFBGL-UHFFFAOYSA-N 429.498 1.946 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1640552900 JQLIBDPCDPKZMO-SFHVURJKSA-N 448.932 1.512 30 10 IDEE CS(=O)(=O)Cc1nc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)co1 1640946801 APRFTMGOGDRUGQ-UHFFFAOYSA-N 440.485 1.443 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@](O)(C(F)F)C3)nnc12 1641578902 VBVMONZMNPFTKW-IBGZPJMESA-N 435.456 1.551 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCc3ccncc3)CC2)s1 1642905351 WEQODEMUUQIDFL-UHFFFAOYSA-N 434.587 1.537 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1 1643411357 JJMKURPRJVPRGB-LBPRGKRZSA-N 438.458 1.088 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1649540211 USCOSCMREMEWFZ-SPEDKVCISA-N 428.537 1.789 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 1650894774 DBJINTZDZMQPCF-XIRDDKMYSA-N 429.502 1.521 30 10 IDEE COc1cc(C(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(OC)c1OC 1653072485 COLDDNNMYQPGSW-VBKZILBWSA-N 436.486 1.072 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)CC1 1655019695 GLNWMVQELYZSQC-FDFHNCONSA-N 429.540 1.066 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)c1 1655082824 SFTAQXFVNLMLEK-UHFFFAOYSA-N 441.532 1.553 30 10 IDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C(F)(F)F 1663862417 DUDYLFMPOVSEER-SECBINFHSA-N 444.233 1.660 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCN(CC)CC1 1689848597 YKDQYHACOOYREL-QZTJIDSGSA-N 441.580 1.737 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1689999678 GNZDBLFAHXIXMH-SFHVURJKSA-N 444.499 1.399 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 1690008964 SBSISYDZUJQEKX-UHFFFAOYSA-N 441.293 1.361 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1690046407 BXPXHLXNAJGPDS-HNNXBMFYSA-N 431.484 1.137 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1690093940 OLIYMKUNVOBFCE-HTAPYJJXSA-N 431.512 1.710 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCN2CCOC[C@H]2C)n1 1690107856 FPYITJWRWGVRCJ-LJQANCHMSA-N 443.596 1.779 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1690109630 YLOLLSBKFBJQPH-FQEVSTJZSA-N 429.613 1.682 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(C)c2)CC1 1690135271 UGSHEWQIVIXUIT-UHFFFAOYSA-N 428.562 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nccnc2C)CC1 1690135540 YXJDZURFSOHMAN-ICSRJNTNSA-N 425.537 1.098 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690142892 XARBCQBCNYOYPC-SFHVURJKSA-N 437.548 1.164 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccco2)CC1 1690148465 IDSJXXYVNDOLOZ-XMMPIXPASA-N 448.527 1.730 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCOCC2)CC1 1690411716 SHATXIJFIVKEJQ-PKOBYXMFSA-N 437.610 1.551 30 10 IDEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690472577 QKBVHYLWAAXGMX-NVXWUHKLSA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 1690678263 PXFPGXJNEWRVNG-ZFWWWQNUSA-N 447.458 1.198 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1690700573 UVSPUEHYFJDISD-PKOBYXMFSA-N 427.505 1.476 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690718953 CHMDABFENONGFS-HNNXBMFYSA-N 442.563 1.461 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1690993944 TTXMZUSFOVEKEZ-LSDHHAIUSA-N 432.550 1.857 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1696819073 DTMQDWZCLMZCEC-UHFFFAOYSA-N 427.472 1.692 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c(OC)c1 1697381278 KHOHEOBVXPZUCM-MSOLQXFVSA-N 443.504 1.887 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC[C@@H]1C 1697676007 BZHVSWMGRSXMLJ-LPHOPBHVSA-N 438.532 1.960 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1698310452 MQEPUGCJYGPVPW-UHFFFAOYSA-N 441.517 1.249 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1698483957 MBUNFKABLNYOBF-KKSFZXQISA-N 428.468 1.526 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(Br)cn2)CCO1 1698492658 DXJYYMOBUWPXFU-HIFRSBDPSA-N 436.314 1.560 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1705494498 AVCURIZOVSRXNC-QFBILLFUSA-N 447.561 1.920 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1705589875 WVJADTBILJJMMV-ICSRJNTNSA-N 442.589 1.654 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ncn(-c2ccccc2)n1 1705630276 MQHIXODRRGPWFQ-UHFFFAOYSA-N 445.531 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC[C@@H]2C)CC1 1705634827 JZWKPJUAMPSSTK-MZKRTTBSSA-N 431.581 1.747 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1705638211 CETKTWRMHYZFBO-UHFFFAOYSA-N 427.574 1.894 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(OC)CCOC2)CC1 1705650437 QUDSVDBSNLJZIP-QHCPKHFHSA-N 438.532 1.035 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](F)COC)CC1 1705650863 AUGVDADYCGPNHD-GOSISDBHSA-N 447.486 1.947 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 1705663920 HCWFMQUASHJMGQ-IBGZPJMESA-N 432.575 1.338 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705663983 HSEAUSYNSVESIP-FQEVSTJZSA-N 443.621 1.807 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705790712 DSZDSWPQSMERAC-QGZVFWFLSA-N 443.556 1.457 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1705889993 PVTHJBHZRYGPHI-KSZLIROESA-N 429.569 1.042 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705899907 KHNFFCMAKZZTQZ-UHFFFAOYSA-N 439.442 1.470 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705906354 BCTMHGCSLPPVML-QGZVFWFLSA-N 440.504 1.417 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2cncn2)C1 1705934259 GWIXEHLMVXMINI-QGZVFWFLSA-N 442.549 1.682 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705934335 IVGDOPQODRGINY-UHFFFAOYSA-N 435.575 1.780 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709906582 GTUCADGEWMMZMC-INIZCTEOSA-N 443.502 1.802 30 10 IDEE CCNC(=O)c1ccc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)cc1 1710323438 JQPIZADHNQBCDE-QFBILLFUSA-N 442.520 1.529 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722371528 JVNMLAMCLKHDGA-LJQANCHMSA-N 430.578 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)(F)F 1722371641 ZEOYJHNPADXVAF-UHFFFAOYSA-N 434.422 1.874 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1722381990 CUDWZMKJSVZRMX-KRWDZBQOSA-N 436.541 1.762 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1722383003 MBQNLSSRHREAHU-SJORKVTESA-N 449.577 1.508 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1722403372 ZBXISCVBUPBPGU-OAHLLOKOSA-N 429.550 1.857 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722446038 KMQXMORPTBAAHV-IBGZPJMESA-N 449.559 1.529 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc2c1OCCCO2 1722448143 NOSPUUUJJMJGIZ-QGZVFWFLSA-N 425.489 1.525 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722555494 LKFFHJLSJHHHGU-HNNXBMFYSA-N 441.985 1.914 30 10 IDEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1722680627 SYQKYKRHHIZNNV-UHFFFAOYSA-N 426.583 1.589 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703715 FPPHLVLDPUIPBC-FGZHOGPDSA-N 433.553 1.628 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1723067889 ZJSVOPHLVSAKOX-XMMQZVGTSA-N 443.552 1.669 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726985892 AFXOSVJSSPXYMQ-IGGDJGDASA-N 443.552 1.623 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC1CC1 1740541857 JBXPZWLOXGQPDA-OAHLLOKOSA-N 440.533 1.204 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740625368 NKXMKUVGYGNRNK-PXNSSMCTSA-N 449.602 1.422 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(N)=O)c1 1740654636 NFFAWUGACNKOJO-UHFFFAOYSA-N 428.496 1.639 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1740682715 GTKUFNPBCFXTMS-QGZVFWFLSA-N 447.561 1.464 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](C)C1 1740991991 KIYXYLANQVYIMP-HOTGVXAUSA-N 430.596 1.407 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1741133268 PKMZDDQTOMWHMY-WBVHZDCISA-N 444.540 1.964 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCCO 1741662404 DAFQOUSGTIXKHO-UHFFFAOYSA-N 427.509 1.504 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCCO1 1743244037 FORIMWWJPKKKEX-FUHWJXTLSA-N 444.561 1.713 30 10 IDEE CCOCCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1 1747370627 LHEJRFXQOQNSKC-QFIPXVFZSA-N 444.536 1.602 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748080939 JUGIRWDQEWOIOS-UHFFFAOYSA-N 432.488 1.647 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1748270765 CZIRACVNIHCUBJ-UHFFFAOYSA-N 444.499 1.310 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1748810394 VLUNPQMKJWETIU-RBUKOAKNSA-N 444.557 1.686 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1748818013 UOIIIRUUUUQDFR-IAGOWNOFSA-N 447.586 1.574 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748818089 VKKBBPYYRLDUET-ZWKOTPCHSA-N 436.578 1.758 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749020017 INVAPTLQVVBKPE-UHFFFAOYSA-N 430.578 1.376 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)[C@@H](C)CCC)CC1 1749286949 VTVGMSYVMFFPAB-JKSUJKDBSA-N 426.587 1.597 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749659714 IIRNNWZUNNXQIP-INIZCTEOSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749671750 HSSPMSJIOBNAMT-NRFANRHFSA-N 430.459 1.308 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749677698 IGKJKTYXEKJZSA-RTBURBONSA-N 449.515 1.278 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682328 RSOBSRYMJGZOHM-LUKYLMHMSA-N 448.568 1.965 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@@H]2C(C)C)C1 1749697777 NJSHCTRJIJQPDJ-BSDSXHPESA-N 441.598 1.731 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@H]2OC)C1 1749711769 CDUJXPOXLWRILR-BSDSXHPESA-N 440.566 1.013 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(SC)CCN(C)CC1 1750008056 NFTHPXJMBGHOSI-IAGOWNOFSA-N 438.598 1.558 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)CN(C)C 1750150360 BDFPLXQQSOMMMZ-IHPCNDPISA-N 445.612 1.766 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760145816 VXEHBTXCUANXMS-CVEARBPZSA-N 438.598 1.433 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1760188822 QIRSBJMFIRQKHG-ZWKOTPCHSA-N 436.578 1.963 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760225056 GIFBWPQCMTVHOA-QRWLVFNGSA-N 436.509 1.566 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760285082 YNWKKLRVFGGALZ-ICSRJNTNSA-N 426.590 1.787 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1760291070 ZRBMMHVMQSSPKD-RTBURBONSA-N 443.470 1.989 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1760520090 BYKVZBPGLVCWOJ-KRWDZBQOSA-N 425.537 1.775 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)COC)CC1 1760520614 UIGBGCWNZPNHOM-UHFFFAOYSA-N 430.484 1.118 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(C)C)C1 1760521902 HDFLASBAIRKEMJ-RTBURBONSA-N 427.505 1.954 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1=CCCCC1 1761498715 IIMFMPKSWUWTOD-VQIMIIECSA-N 447.609 1.955 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1766171514 CUZRQEAXWBSHPN-UDJKBAMHSA-N 425.493 1.805 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@H](C)O1 1769490520 DXOOTPCPXRQTPN-FWJAZRMLSA-N 427.505 1.597 30 10 IDEE CO[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1769595565 LGBVDYJIWVEPPU-GJZGRUSLSA-N 443.474 1.560 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)NCC(F)F 1770179356 YSHSTWBMCTYOFZ-LPHOPBHVSA-N 448.474 1.891 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1770331152 NWSKUUSUFOOUNI-HXUWFJFHSA-N 431.518 1.247 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)c1 1771531244 HAKKPTMGYMNSAH-LJQANCHMSA-N 429.481 1.294 30 10 IDEE C=CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1)[C@@H]1CCN(C)C1=O 1849167113 JMNNGZMRZUPOEX-RTBURBONSA-N 435.546 1.484 30 10 IDEE COCc1nc(N2CCOCC2)ncc1C(=O)N=C1C[C@H](C)N(c2ccc(Cl)cn2)N1 1851848136 WTMVORJJOSYEPV-ZDUSSCGKSA-N 445.911 1.850 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2ccccc2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1F 1855022902 LEXHSCBKGPPYPY-CQSZACIVSA-N 429.473 1.974 30 10 IDEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862177905 GTGWKXMQYQTSJU-MRXNPFEDSA-N 427.501 1.922 30 10 IDEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870773022 RTOAXJGTLJXATR-UHFFFAOYSA-N 427.545 1.910 30 10 IDEE C=CCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873593388 BLKWICSNCNMFAD-KRWDZBQOSA-N 448.531 1.643 30 10 IDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OC 1874336852 DXPSERJMDVPULV-DKNGMTOASA-N 446.533 1.479 30 10 IDEE COc1c2ccc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)cc2nn1C 1889536392 XVBPCZCEDALTAT-UHFFFAOYSA-N 439.560 1.454 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)NCC#CCN(C(C)C)C(C)C)cc2)CC1 1890566596 XLZXJNVCWOIZDY-UHFFFAOYSA-N 426.561 1.843 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 2006233212 HBHGVDHLDKTYKZ-AVGNSLFASA-N 425.345 1.839 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010521673 OYIKFELJZSIBGU-KPRXVCGWSA-N 428.533 1.889 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2214638010 UJAIWMLJTOMFKI-LTIDMASMSA-N 437.537 1.589 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248403183 BXTJVHGBNIHTNV-SWLSCSKDSA-N 440.371 1.938 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2255680362 QYHBDVOGLCOTMM-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CN(CCCOCc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255748705 HLOBAUGEIIQIJF-UHFFFAOYSA-N 449.382 1.947 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255814432 XNZMRPUKDVGBSM-OAHLLOKOSA-N 436.314 1.945 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255828710 GNRPLJXOHCISHM-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE Cc1c(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832351 KTTNXAOFVPIZPU-UHFFFAOYSA-N 434.346 1.815 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C[C@H](O)C1 2256889021 OUNDQJHTIRUVSN-HNNXBMFYSA-N 437.321 1.938 30 10 IDEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267159114 HCCHGEXLTULXIO-MUJYYYPQSA-N 444.341 1.713 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267506226 UVUQSECMFKUHAJ-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N[C@H](CC#N)C(F)(F)F)NC(=O)OCc1ccccc1 2270510230 VLRPBLDOJFYGNP-CHWSQXEVSA-N 437.396 1.218 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2315523035 LOKWYGKPNKCQRX-WDNDVIMCSA-N 432.330 1.314 30 10 IDEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)cc1 20292272 OKSLJAOUEYICIC-UFFVCSGVSA-N 443.489 1.979 30 10 IDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)n1 22628986 XVNAEUXIDQQLAG-UHFFFAOYSA-N 430.486 1.522 30 10 IDEE CC(C)[C@H](NC1CCOCC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 438870018 VBFFOFRDTNEHBZ-FQEVSTJZSA-N 434.562 1.184 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n(C)n1 444099884 KAHAEADZNKQVGG-WOJBJXKFSA-N 435.532 1.669 30 10 IDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 444227844 VQRQXWRIYMQWPI-LJQANCHMSA-N 433.530 1.736 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 446629796 BRSWGKMWAYLRDE-ZLPCBKJTSA-N 435.550 1.614 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 461475329 XXCOITZMXMNJGY-SFHVURJKSA-N 428.533 1.403 30 10 IDEE Cc1c(-c2cc(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)on2)cnn1C 466833396 GRECIHCVCUZFNF-UHFFFAOYSA-N 426.502 1.762 30 10 IDEE CCn1nccc1CN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 477433610 OWQRVXPSQWNYSS-UHFFFAOYSA-N 445.545 1.196 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 481715683 IZYGBENQPWPNEL-KSZLIROESA-N 434.562 1.499 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1S(=O)(=O)NCC#N 482591205 NELSNBNKTAONHZ-GOSISDBHSA-N 444.488 1.467 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)n(Cc2ccco2)c1C 511104389 FHFUGQNAIWDFBG-SFHVURJKSA-N 447.561 1.912 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(OC)ccc2Br)CC1 522319288 RTUUURZFOJOVKJ-UHFFFAOYSA-N 425.327 1.587 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 533148496 PTYNAIOJFDFVLH-UHFFFAOYSA-N 437.529 1.125 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 533692615 MKXMWLXBMZUKID-AWEZNQCLSA-N 449.935 1.909 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544864765 IRTGUBVFSCKYEU-UHFFFAOYSA-N 441.513 1.173 30 10 IDEE O=C(CN1CCCN(S(=O)(=O)C2CC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 549403812 OPPWCZZURGGUHO-UHFFFAOYSA-N 443.491 1.673 30 10 IDEE Cn1ccnc1CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 553093849 OZXDSQLDZLGAHO-GOSISDBHSA-N 427.578 1.008 30 10 IDEE CCc1c(C(=O)N(C)CCOCc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 564371588 PBTZNEFITPKFEG-UHFFFAOYSA-N 435.484 1.355 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 570246849 BWGQDGSXHYDDMB-SFHVURJKSA-N 433.534 1.453 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 576910649 DWMFEUUZWHDRHM-UHFFFAOYSA-N 427.958 1.401 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 590914300 DMLYGTCZERZFJD-HNNXBMFYSA-N 442.497 1.026 30 10 IDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CC1 611091121 IKANJHLSRAYTRD-QGZVFWFLSA-N 430.574 1.632 30 10 IDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl 615307022 IFFHBPBZPFVPOZ-GOSISDBHSA-N 436.859 1.806 30 10 IDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCCO)cc1 703975615 WQBXUUFQZLVCRG-MRXNPFEDSA-N 426.494 1.697 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 732056753 VNNCWXYIGVOERA-PLNGDYQASA-N 432.440 1.923 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c(C)c1 732650562 XHEOOGYFBGYKOR-HXUWFJFHSA-N 430.574 1.903 30 10 IDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732698646 CPEGNZQBPQICKL-SFHVURJKSA-N 426.521 1.287 30 10 IDEE COc1cc(C)c(CN2CCN(C(=O)COC(=O)c3ccc(C#N)nc3)CC2)cc1OC 734601095 NOXCUTPZTSWFOF-UHFFFAOYSA-N 438.484 1.780 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1C#N 747496001 XCXMBTMMCJDTHS-UHFFFAOYSA-N 446.485 1.081 30 10 IDEE N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 766871546 ASZPRZQKPOKCLB-ROUUACIJSA-N 447.513 1.001 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)C1 772339154 FULKRHDVEKMWOJ-OAHLLOKOSA-N 448.545 1.726 30 10 IDEE C#CCN(C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CCS(=O)(=O)C1 780910251 ZZJVIWLBAKUJQD-DLBZAZTESA-N 431.493 1.231 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802613260 WAZBCTYINVWLII-QGZVFWFLSA-N 439.443 1.572 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 1117370097 XPTXFEUDRJQJKT-MSUUIHNZSA-N 434.884 1.098 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1ccccc1I 1124723744 AOLSTZZVGKUKPP-UHFFFAOYSA-N 437.241 1.904 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@]23CCCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)CC1 1157009956 VYKOMFIYJDHPRU-FDDCHVKYSA-N 432.565 1.450 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1184091192 QMUYYDCFXBRXKK-HNNXBMFYSA-N 443.485 1.628 30 10 IDEE CS(=O)(=O)c1ccc([C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)CCO2)cc1 1196391576 AAYMZUILKSNJOB-FQEVSTJZSA-N 434.539 1.809 30 10 IDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)c(F)c1 1211839473 DDMSHRLBIJCNLZ-UHFFFAOYSA-N 447.510 1.445 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1286349777 OHAIWECKAMDOMC-SFHVURJKSA-N 439.582 1.277 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)c2occc2C)CC1 1286476948 KVCJRDDWFHJNDV-UHFFFAOYSA-N 434.504 1.212 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1286701389 YSRYFDJIIBPTCF-GOSISDBHSA-N 440.614 1.355 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286781842 CIVMIAMEWIVGND-GOSISDBHSA-N 438.532 1.847 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC(N)=O)CC1 1286784073 VUEAZFQKYIKBKS-UHFFFAOYSA-N 442.520 1.356 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1287133029 DOBSPTGLZLFZHW-QGZVFWFLSA-N 439.520 1.216 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C#N)o1 1298211662 HWSUDYSOGWSUQK-UHFFFAOYSA-N 439.476 1.870 30 10 IDEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1300300877 UZEUXNWVRFJWGC-ZIFCJYIRSA-N 443.500 1.775 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1300356395 BVFLJRRYPYQXIB-DLBZAZTESA-N 438.536 1.430 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300484743 RXHIYCIORZKCFQ-IAGOWNOFSA-N 437.566 1.613 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300762482 QLYSXESJQQOLJJ-RBUKOAKNSA-N 430.578 1.949 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300983437 IRWQZNNIPBVIKF-FQEVSTJZSA-N 439.564 1.676 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 1301500921 RCEOFBUNQBJXFC-CQSZACIVSA-N 449.533 1.268 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1301513897 BUHVJTXQLSZTBB-QGZVFWFLSA-N 440.504 1.417 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2)CC1 1301589155 OFRPXWVQRTVVGU-SFHVURJKSA-N 431.562 1.709 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N1CC[C@](F)(C#N)C1 1302495282 PEYKKBJTONQBKA-FQEVSTJZSA-N 443.508 1.875 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC(=O)N2CCOCC2)cc1 1302988802 CKGWQWPLTQGZBI-UHFFFAOYSA-N 438.532 1.664 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1313553060 HMAGKWBJXJASQL-GOSISDBHSA-N 438.536 1.591 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1315047647 GIFQGHMXCHHMKL-UHFFFAOYSA-N 448.531 1.880 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CC=CCC2)c1 1358901947 AXIJDUWVBKUEQV-FQEVSTJZSA-N 447.543 1.547 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1358969454 PLHWYTXPBRIDJD-KGLIPLIRSA-N 436.563 1.173 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 1358978636 QTXWJGBSLOZSHN-QHCPKHFHSA-N 443.548 1.617 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1359015857 HIXQGPVKMKUOBO-XZOQPEGZSA-N 444.507 1.861 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1359025470 PLHZIIXBNSEMGC-WIYYLYMNSA-N 441.532 1.597 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1359030864 JABBMHFUOKXSFG-FGZHOGPDSA-N 445.589 1.655 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1359034500 SVZYPRFYSREEHA-UHFFFAOYSA-N 430.516 1.240 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1359035515 WGDQUDQYFZMSKW-FXAWDEMLSA-N 438.532 1.461 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)NCC=C)CC1 1359039435 JBYLPMFGHJJFOO-UHFFFAOYSA-N 440.573 1.636 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359061702 JZNZJLHITQVLQL-WAOWUJCRSA-N 438.594 1.925 30 10 IDEE CC(C)N1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1360138376 FOTDKTUAYKVNBZ-QZTJIDSGSA-N 438.536 1.775 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1360201086 ZUVYGNVNFQKJTG-UHHPSXQGSA-N 443.552 1.815 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1450472230 WOCFQVSOEPFBNA-DRSNIGMVSA-N 428.489 1.816 30 10 IDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1450849735 NWXAKINAWAQFFS-UHFFFAOYSA-N 449.451 1.984 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1454812869 AKLSDGCVCSYKOD-FZNQNYSPSA-N 436.534 1.912 30 10 IDEE CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC1 1464898453 DGZIAZRNJVZHMQ-HXUWFJFHSA-N 436.534 1.646 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)cn1 1475477217 OISGKZUCBVXERE-UHFFFAOYSA-N 426.292 1.934 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507629515 NCWJBPMHVSMACZ-QZTJIDSGSA-N 430.578 1.697 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1507698867 SFDLBNUNHTVLMB-QGZVFWFLSA-N 447.561 1.749 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507713301 FBQZEHBVIVXYEC-KDURUIRLSA-N 446.596 1.374 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CCOC2)CC1 1507722521 ZEGPFYOIQNLJMJ-RDPSFJRHSA-N 439.560 1.942 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NCc2ccco2)CC1 1507723942 ACAPFNNPCMSXGS-UHFFFAOYSA-N 432.528 1.842 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)CCOC)CC1 1507728004 VOEKUTYRKWPIRV-QHCPKHFHSA-N 427.549 1.708 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1507965561 OHPVUSJZNGTGPW-SFHVURJKSA-N 429.525 1.305 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1507994752 XXBFCZLTHITHEQ-QGZVFWFLSA-N 444.561 1.683 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C)C(=O)C1 1508072861 HSXSLGUIDJTJQW-INIZCTEOSA-N 442.520 1.397 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCN(C)C(C)(C)C2)n1 1511677260 BEXGWNGQNSRQPC-KRWDZBQOSA-N 427.601 1.762 30 10 IDEE CN(CCc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1517278471 CAYVVEBCZDNWPW-UHFFFAOYSA-N 445.574 1.891 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2F)CCO1 1521128921 HJERHHBKMZHTBG-IRXDYDNUSA-N 433.509 1.681 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccn3nnnc3c2)cc1 1527666090 QBHCKSBSDYRHLB-XLNRJJMWSA-N 427.490 1.970 30 10 IDEE N#CCc1ccnc(NC(=O)c2ccc(I)cc2-n2cnnn2)c1 1534502198 HZKURZPEEZPOJO-UHFFFAOYSA-N 431.197 1.980 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCS1(=O)=O 1539021453 IYAYSRDNLGPBBF-MRXNPFEDSA-N 427.534 1.010 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1539384665 BRKYSSVBOALESX-KEYYUXOJSA-N 447.875 1.518 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1539489327 LFIMELDSSIPWKB-HSZRJFAPSA-N 443.548 1.898 30 10 IDEE C=CC1(CC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CN(C(=O)OC(C)(C)C)C1 1539700167 ZXSKESWSNOBBFE-UHFFFAOYSA-N 447.536 1.879 30 10 IDEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1539733930 USXJTXPDWDARBA-JBYIUTFZSA-N 435.569 1.874 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2cccc(C#N)c2Br)CC1 1544231492 VSKUSZXTLVZMGK-UHFFFAOYSA-N 443.319 1.903 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1548299069 DUEHXFTWSCHGDN-HNNXBMFYSA-N 428.522 1.368 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1554164943 CHBDYWSTSMGQMA-QZTJIDSGSA-N 442.545 1.562 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC(=O)NCC#N)c1ccccc1Br 1556512794 OUBBBUHXIXUAQL-AWEZNQCLSA-N 425.283 1.771 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 1557239687 FUFNVGYSTFDSEK-FCHUYYIVSA-N 439.560 1.309 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1OC 1557896876 NZLGAIWGTNVZBO-VXKWHMMOSA-N 431.489 1.736 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)ccc2c1=O 1558981911 QZQWUDASUAFSNH-FQEVSTJZSA-N 433.555 1.912 30 10 IDEE N#CCCN1CCN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CC1 1564481296 ZQWXCVVXAKAUHU-UHFFFAOYSA-N 437.541 1.610 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 1584999965 HHRHKDQUXAXPBJ-UHFFFAOYSA-N 447.377 1.947 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1586900043 ZSXFFFBOKQZHTR-YJYMSZOUSA-N 428.917 1.859 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1B1OC(C)(C)C(C)(C)O1 1587497972 IOUNPDQMRHIDTH-MWTRTKDXSA-N 441.337 1.745 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1587638626 GCTRYQUXTORGEJ-QLFBSQMISA-N 425.555 1.551 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1587922041 QHBPLHKMRVYMBW-JOCHJYFZSA-N 426.521 1.280 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1587989595 KWTWNRRLAGJEEX-MRXNPFEDSA-N 425.461 1.007 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1593728867 DMSHLUDKYKCDCU-UHFFFAOYSA-N 425.537 1.333 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1593763511 MNMNKNJPQHECGQ-RBUKOAKNSA-N 432.569 1.150 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1594783795 IXUFYXMLOUCPPN-NJNPRVFISA-N 433.553 1.880 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1595543949 CIKWIQLMUZSHRX-SFHVURJKSA-N 444.580 1.750 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595544015 FCCLXXCREVPRJK-NVXWUHKLSA-N 444.540 1.049 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1nn(CCC)c(=O)c2ccccc12 1595602715 PCOBMXQGUCSZLE-UHFFFAOYSA-N 447.503 1.844 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1596851720 XUVXFBUDYUAWRS-AWEZNQCLSA-N 441.517 1.775 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1598234358 FNWWYOVZVQWEPV-NRFANRHFSA-N 447.488 1.922 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1602821461 ALLNQQJRINSREU-UHFFFAOYSA-N 443.577 1.962 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1611796630 VCCQCQUUNRNOIW-KIJUOZEOSA-N 444.536 1.702 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCSC1 1616484827 BLCICVMDKRXKFR-IIBYNOLFSA-N 445.545 1.853 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1617387412 RHXCSAZPRXLDDL-MOPGFXCFSA-N 444.561 1.761 30 10 IDEE CC1(C)C(=O)N[C@@H]1C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1618148092 SIRDQOSZBOUZKL-IFMALSPDSA-N 441.551 1.771 30 10 IDEE CC#CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 1628507544 FBASNZRMOBMZJJ-MRXNPFEDSA-N 434.562 1.427 30 10 IDEE C#CCN(CC(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1)C(=O)OC(C)(C)C 1630212840 MPIIEIGNWASCFM-UHFFFAOYSA-N 433.505 1.649 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC)c1 1630594888 CXPPKLYUKIQTCT-HXUWFJFHSA-N 427.526 1.854 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1633055680 HIASTNSJZWWNEM-NRFANRHFSA-N 432.525 1.275 30 10 IDEE CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1635665844 KJDDNUBUCKNRNW-DLBZAZTESA-N 446.614 1.991 30 10 IDEE C=CC1(CC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CN(C(=O)OC(C)(C)C)C1 1637002348 WZKHETSJVKYBLD-AWEZNQCLSA-N 444.575 1.812 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)NC)oc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1638331532 XRLUWMGULAIGLQ-UHFFFAOYSA-N 439.534 1.971 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCSC[C@@H]1c1cnn(C)c1 1639585670 JJTDUBFUTULERG-KBXCAEBGSA-N 433.559 1.665 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1643889048 RNUURZJCVDXIHW-SFHVURJKSA-N 437.525 1.724 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 1644282076 SOAWBXYDOGUEIY-UHFFFAOYSA-N 447.586 1.125 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)c1 1644716621 FBAWXJKMHASTML-QGZVFWFLSA-N 428.514 1.686 30 10 IDEE COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1654953933 CHSQWQAQYKKUFP-ZACQAIPSSA-N 444.532 1.212 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 1664295882 SQQAXKNNZUMHNF-UHFFFAOYSA-N 425.459 1.225 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1670591000 RWHUDECZRSIXSG-INIZCTEOSA-N 442.582 1.312 30 10 IDEE O=C(NCC#CCO)NC[C@H]1CCCN1Cc1ccc(I)cc1 1687392197 BOSWWMRIJOGZPF-MRXNPFEDSA-N 427.286 1.551 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689990703 QXJAFMFHNVDXQU-DLBZAZTESA-N 449.577 1.192 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1689993958 OFXDKBLXTCPXRO-WOJBJXKFSA-N 442.589 1.232 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CS(C)(=O)=O)CC1 1690006625 VMDSUGDUABNVHA-UHFFFAOYSA-N 427.486 1.751 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1690077789 WQYCLJCJIHUSBW-SFHVURJKSA-N 432.546 1.979 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc2c(c1)OCCO2 1690103008 ZRMYQRWNXNJKHE-QGZVFWFLSA-N 425.489 1.329 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1690119469 GKENYEBFKJLJMT-WOJBJXKFSA-N 437.592 1.983 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690311726 SJLNPWQZSYUMOW-LEWJYISDSA-N 432.613 1.981 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690489966 KBYFGSGWTPFVJY-UHFFFAOYSA-N 438.598 1.617 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690496115 KRZYSFSJYHJVRU-BBWFWOEESA-N 444.540 1.500 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1692526800 ZKBPYVBEEZXFSI-MGPUTAFESA-N 430.488 1.259 30 10 IDEE CC[C@H](C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1694016652 AIZNAKYAPTXGLA-UAXAESGBSA-N 441.536 1.565 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1696578126 FOGVWYOJUWABNJ-UWJYYQICSA-N 441.515 1.120 30 10 IDEE Cn1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)cn1 1696858387 YACQXZXQXNUWRS-AWEZNQCLSA-N 431.298 1.557 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC(C)C 1705544210 IAHRJFAJMWFAHL-UHFFFAOYSA-N 443.371 1.443 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705565304 GQYZVFKXGAOWPG-SFHVURJKSA-N 433.582 1.036 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 1705639733 VODDEGXURFEXOF-GOSISDBHSA-N 446.596 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)OC)CC1 1705651247 PCUHZXSISOUTNT-OAHLLOKOSA-N 444.561 1.270 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCC(N)=O)CC1 1705733167 OGJZUXLPKUEWHW-UHFFFAOYSA-N 443.504 1.737 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1705907400 LNLMKWXWKHJINM-HSZRJFAPSA-N 425.533 1.991 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)C1 1705973181 DFUKYVCWAWCSPK-IBGZPJMESA-N 427.553 1.789 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)[C@H](C)C1 1705990533 WRDLYTYBGBTZDD-MRXNPFEDSA-N 428.562 1.989 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1706348055 AMZVPGAHYDWHFP-FUFIUMIBSA-N 446.577 1.886 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C 1706808231 DZZUCHZSMMGSHX-CVEARBPZSA-N 434.566 1.548 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCO[C@@H]1CCOC1 1709141943 KVPVQLQUOWSSJO-IAGOWNOFSA-N 426.525 1.413 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)C[C@H]1O 1711459933 MPIKIVATVRSSFK-RARDXLECSA-N 439.516 1.992 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)C)C[C@H]1O 1711459952 NOCRJCCFIFDWPN-QRVBRYPASA-N 427.505 1.848 30 10 IDEE CO[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1711516540 ITFSRJQGAIJHPO-DOTOQJQBSA-N 428.541 1.447 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@]2(O)CCOC2)c1 1722306049 WVNNWBCUTRCCOI-QHCPKHFHSA-N 434.500 1.491 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722307824 BCFCMENLXILFDT-IAGOWNOFSA-N 438.598 1.385 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1722413382 MJHIQMQGNALPJI-MRXNPFEDSA-N 447.527 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1722441447 QIFZNFIVNPGXMS-SBUREZEXSA-N 444.580 1.277 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC(C)CC2)CC1 1722447618 NJKRYZCKYHPGNJ-NRFANRHFSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1722460128 CCSPCHASOZFHQN-SFHVURJKSA-N 442.545 1.618 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722462359 MNRYYZCIOJDXRT-QZTJIDSGSA-N 427.578 1.754 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722619553 GPWMKMWUZWCNDW-UHFFFAOYSA-N 437.552 1.607 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722638641 IJEHEIUUPHCWGR-KRWDZBQOSA-N 443.552 1.571 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1722724248 RFKTXBDNTYWKLH-UHFFFAOYSA-N 432.550 1.746 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1728419942 USEHLUISZQNUED-GOSISDBHSA-N 442.520 1.761 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1730482291 AHHLHBHDWVGQPR-XLIONFOSSA-N 433.509 1.816 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1740629835 BSFJQDQTKHEZRV-BZSNNMDCSA-N 435.594 1.802 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1740630407 HOPFDPVUVGUZDN-MRXNPFEDSA-N 435.463 1.783 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1 1740686847 XMRUBKSQYFKKAK-WBTXTPOCSA-N 438.594 1.862 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@](C)(O)CCOC)CC1 1740697068 QKIDBMPQRDVVKO-JOCHJYFZSA-N 433.503 1.690 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740717767 AFLYIINWLPRHCZ-IAGOWNOFSA-N 443.577 1.546 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1740731624 DZEZSAULHICQDQ-ABSDTBQOSA-N 435.550 1.296 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1740764984 MUMJHMSNFLNDLO-ZACQAIPSSA-N 425.555 1.192 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740850092 CPEYDCQRSFHIDE-HOTGVXAUSA-N 444.623 1.796 30 10 IDEE C=CCCOCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740889069 VDVKILYYMQKIDQ-JOCHJYFZSA-N 435.569 1.970 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)F 1747706461 DQAWFAVLJWYKQC-INIZCTEOSA-N 439.488 1.970 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748809555 NJXBVYSGOIYOPP-GOSISDBHSA-N 443.573 1.652 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749031876 LRZUPXVDODNAFZ-MRXNPFEDSA-N 427.534 1.123 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOC)C1 1749115683 UTFUPZVSOQISCJ-QYZOEREBSA-N 433.553 1.737 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1749193466 KAYLMWGZOVGPJM-QAPCUYQASA-N 427.596 1.521 30 10 IDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1749444469 BHLJCYWPYMCPQE-UHFFFAOYSA-N 425.541 1.998 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1749475945 VAIOWFOSTHUZNC-OAHLLOKOSA-N 428.522 1.368 30 10 IDEE COCCCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749647113 TYGCWQWPDCOBHE-UHFFFAOYSA-N 427.509 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749668873 FVZOTBGEOXMVFR-HZSPNIEDSA-N 431.509 1.210 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1750090435 KYOFGMPXACKBLN-ZOCZFRKYSA-N 447.561 1.880 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@@H](C)O1 1750354536 CWJRXDIFPIYNPY-CALCHBBNSA-N 435.536 1.539 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1760098073 NYJOPHJIJBNUCC-HUUCEWRRSA-N 442.586 1.603 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1760202045 RBZPNOAJFPSJCO-NRFANRHFSA-N 444.539 1.976 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760203181 XTGDBWIIRHCRFB-AABGKKOBSA-N 445.589 1.797 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nccn2C(F)F)CC1 1760260847 FUOGWBQWPHQVOL-UHFFFAOYSA-N 429.479 1.535 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760348780 LXJFUCPTZZCMBS-ICSRJNTNSA-N 434.585 1.569 30 10 IDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760451043 YNUNGLQMAHTKPH-UHFFFAOYSA-N 425.537 1.959 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)on1 1762683714 HAAQVTDECUEQLN-INIZCTEOSA-N 442.501 1.697 30 10 IDEE 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COC(=O)CN(Cc1ccccc1)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255637983 HJEWVUYIKYFPCR-UHFFFAOYSA-N 427.310 1.843 30 10 IDEE COC(=O)CN(Cc1ccccc1)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255824888 QBONOJMQPRXNJW-UHFFFAOYSA-N 427.310 1.843 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255856320 ZDPSKRFAVJNNCG-OAQYLSRUSA-N 436.314 1.681 30 10 IDEE CO[C@H]1[C@@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2256740132 RUHGPZFRWXBKHE-OWCLPIDISA-N 440.346 1.940 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2267179095 LGQIALQYMPXYMZ-UHFFFAOYSA-N 449.357 1.861 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267290305 BCEVXTHGTZLNFY-OAGGEKHMSA-N 448.325 1.943 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267542642 VADAHNSDSIKNDM-ZSEKCTLFSA-N 447.345 1.244 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 2267547239 HULIRNMARMZDTM-CQSZACIVSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2267879262 GJBLTNNFDLWUQS-RRFJBIMHSA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268651253 AERRVBUAFUMDMU-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE COc1cc(Br)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)c1O 2323022738 FOTAFOWPBXFJOY-UHFFFAOYSA-N 429.252 1.303 30 10 IDEE COc1cc(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)cc(OC)c1 21324533 GEOUASUEAASKRI-FSJBWODESA-N 442.505 1.971 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)n1cnc(C#N)n1 409583483 UUMINUZUIFFJKA-NSHDSACASA-N 443.316 1.551 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)CC1 437587053 DTKRVWMVNUGPIU-UHFFFAOYSA-N 432.575 2.282 30 10 IDEE CCOC(=O)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1C 469699660 IXAMECCPLUORKK-UHFFFAOYSA-N 445.501 1.612 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 478755982 ORYTXPMXOURVLE-INIZCTEOSA-N 439.493 1.811 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1C#N 489117330 KSSOUAOSNSHDGP-UHFFFAOYSA-N 434.905 1.827 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N(C)C[C@H]1CCCO1 508839975 JAQTXQNKTJEWRA-GOSISDBHSA-N 447.561 1.767 30 10 IDEE N#Cc1cc(S(=O)(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)ccc1F 518147350 KEWBCSQCFIUTEN-QGZVFWFLSA-N 430.505 1.873 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)c2)c1 520459721 FPWPEBCYVHFCJT-JOCHJYFZSA-N 447.491 1.355 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 524749341 JSNXYCFIWYUORJ-UHFFFAOYSA-N 432.461 1.640 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 526980078 JPYQSUPLWHEZAC-LJQANCHMSA-N 432.546 1.035 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 537291879 YOROCMGYOJFYNU-CEWLAPEOSA-N 427.524 1.525 30 10 IDEE Cc1oc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(=O)(=O)N1CCCC1 546168283 ARCWHUHOHOZULH-UHFFFAOYSA-N 429.502 1.602 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)n1 546877120 NWQYUCDMOHMSAD-INIZCTEOSA-N 431.543 1.517 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C#N)n2)CC1 555255444 KUSWTTPEWYKAAF-OAHLLOKOSA-N 430.538 1.058 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 558640203 OPUFBYCEVLEMRK-QFIPXVFZSA-N 443.507 1.941 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 558965574 ROYOOSRTZGLMPY-NRFANRHFSA-N 443.577 1.921 30 10 IDEE CCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2c(Br)cnn2C)c1=O 569552976 IFVWIURQEXSMEE-UHFFFAOYSA-N 437.363 1.934 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)c1 589513694 TWRNALQXMULIFB-GOSISDBHSA-N 438.509 1.788 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCCO3)CCN2C1=O 619851284 YLYVTFXMJYZEFA-ZWKOTPCHSA-N 435.488 1.468 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 670222194 JRUQCHGMIQPZIA-SVFBPWRDSA-N 448.612 1.957 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730140349 JZPOGLBNUIZNKO-SJLPKXTDSA-N 447.605 1.827 30 10 IDEE C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465221 DZSRPJNWMJPIBH-KHOFPDMRSA-N 441.532 1.445 30 10 IDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 733673222 SWJITRASPJHOLS-UHFFFAOYSA-N 434.562 1.785 30 10 IDEE Cc1ccc(CNC(=O)C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1F 733889215 BKGKAFWCGCFVIP-LNVKXUELSA-N 442.491 1.905 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1C#N 768535679 BFYRXRQWRWPZNY-UHFFFAOYSA-N 447.542 1.715 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774233512 JOEXQXWQOAPJMD-GVDBMIGSSA-N 427.567 1.902 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 775126656 WRLCYUGDHDMBFP-GOSISDBHSA-N 437.585 1.699 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 775372256 YYWMTGMTPIAFQE-ZVZYQTTQSA-N 441.488 1.746 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)c1 784123902 HFWCRBQMCGGLGK-SFHVURJKSA-N 444.561 1.948 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)n1 790106002 LRBWQMWAZSIVJO-RCCKNPSSSA-N 435.488 1.493 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 791272150 DEDYWFIDIBIYRX-UHFFFAOYSA-N 446.529 1.586 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 816758840 YTLWFQLQAQYHFB-KGLIPLIRSA-N 446.323 1.099 30 10 IDEE COc1ccc(C)cc1N1C[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1=O 916178892 SOTLNBBUUUIUJW-QGZVFWFLSA-N 427.482 1.874 30 10 IDEE CSC[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 916774691 BZSKLBWQOCFFMV-YESZJQIVSA-N 449.554 1.411 30 10 IDEE O=C(CSc1n[nH]c(NN=Cc2ccc(O)cc2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084421230 YEJXGAVCTBIVDT-UHFFFAOYSA-N 437.441 1.571 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)C[C@@H]3C3CCC3)C2=O)cc1 1130015785 MPOCZMXEUHEYSO-QZTJIDSGSA-N 444.513 1.189 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1132984559 RTJHZSGVGLNCCY-HAQNSBGRSA-N 431.308 1.790 30 10 IDEE C#CC1(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCCC1 1133024511 XBQBWZDTISLYEO-UHFFFAOYSA-N 431.514 1.831 30 10 IDEE N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1160873501 QFVYYVZDJOQUFM-KBPBESRZSA-N 430.983 1.906 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2=O)cc1 1165958976 GYLBHUIDKYJDAU-CYBMUJFWSA-N 431.445 1.667 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@@H]1C(=O)OC 1252509000 WFEIFTQEMJDCAX-KDURUIRLSA-N 428.489 1.126 30 10 IDEE C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 1254389790 DECICSSSFRWNLB-INIZCTEOSA-N 427.530 1.992 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C)c3cc(C#N)ccn3)ccc2F)CC1 1269441727 UUXHUFFMAVBCPB-UHFFFAOYSA-N 445.476 1.222 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC(=O)Nc4ccc(C#N)cc43)C2=O)cc1 1274999811 VWEDBDRMXIAUOJ-JOCHJYFZSA-N 433.424 1.319 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cc(C)nn2C)c1 1286312577 YGNHYNBDDKMSQS-GOSISDBHSA-N 433.516 1.928 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1286360642 IGAHROKGJFWPEJ-OAHLLOKOSA-N 447.565 1.536 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1286393669 RLLYSXCILBKVQA-KRWDZBQOSA-N 435.594 1.410 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1286400467 GXVMDYSWUDAJRM-URXFXBBRSA-N 443.592 1.748 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286414704 ABOAAXIRQITEGV-OALUTQOASA-N 428.581 1.767 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H]2COCCO2)CC1 1286472682 BDNIJAWGSXYDBD-LJQANCHMSA-N 426.477 1.414 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286625039 SKBDUCCTNAOMRC-UHFFFAOYSA-N 428.924 1.969 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCOC1 1286755425 XVAPJTJGRIWQKG-FQEVSTJZSA-N 432.550 1.568 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 1286769319 RHEDMAXNNXLOBN-MRXNPFEDSA-N 425.530 1.872 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286780149 QCIULZPMFMBYMO-CYBMUJFWSA-N 425.942 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC[C@@H]21 1286782410 TXWDQGJVMLSCOZ-AEFFLSMTSA-N 444.561 1.486 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286788633 ACIVYKYKKAMMKQ-KRWDZBQOSA-N 426.521 1.756 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 1286793762 LPWGRGJMDRGLIW-SJLPKXTDSA-N 447.584 1.350 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1286967769 GVNXVKZWOLZWQO-KLHDSHLOSA-N 428.534 1.345 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(C)COCCO1 1287475680 XKRPALJWFMEDHL-JTSKRJEESA-N 440.552 1.659 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](C)N(C)C1CC1 1288780672 HIAIXVPHRZXWOX-HZPDHXFCSA-N 445.593 1.879 30 10 IDEE Cc1ccc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1292881323 PXMHLJIKRIXWCM-UHFFFAOYSA-N 443.397 1.967 30 10 IDEE CCN(C)c1nnc(COc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1295123367 KRVHMFOFPKFYOL-FMQUCBEESA-N 426.477 1.848 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CSCCN1Cc1ccccc1)c1cc[nH]n1 1296344894 OBIHZUWHKPWPRS-QGZVFWFLSA-N 445.545 1.427 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@@H]2CCOC2)CCOC1 1296605813 KIFUBPVBHBSOSO-DZFGPLHGSA-N 437.516 1.815 30 10 IDEE CCS(=O)(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1297789878 AQRCZCVYXRMERZ-SPYBWZPUSA-N 442.561 1.578 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)c1cc[nH]n1 1299360581 JEZQRCDYHDNNCP-AWEZNQCLSA-N 437.497 1.598 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1300482690 GPFXQDWROITMGQ-IAGOWNOFSA-N 430.530 1.868 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1300665333 ZNYCSFVVKDPQTF-GOSISDBHSA-N 425.489 1.409 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CCOCC2)CC1 1300719459 BTEAFWKMZRHMTP-SFHVURJKSA-N 437.548 1.027 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)CNC(=O)C2 1300779165 QCDVLEHSMYSRTE-WMZOPIPTSA-N 433.578 1.475 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1300875472 PHLKMHSIEDCUOL-AZUAARDMSA-N 446.596 1.699 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1300990260 DCDGPOMAAYMCDO-DOTOQJQBSA-N 444.540 1.397 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1301296429 HBJVZOUSQBJQKI-GOSISDBHSA-N 435.550 1.428 30 10 IDEE Cn1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)n1 1314906265 GWUQHWPRGAZHBN-AWEZNQCLSA-N 431.298 1.741 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1328404799 CDOCONMKFQBJNB-KRWDZBQOSA-N 426.498 1.687 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358958092 HOYVYRQHNTYFKH-GOSISDBHSA-N 440.529 1.362 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1358970299 LCZZBRVGKOFZAY-QFIPXVFZSA-N 442.541 1.477 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358991783 OOTGBRRYOPZVAB-UHFFFAOYSA-N 434.525 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@@](=O)CC)CC1 1359046449 RXISRUORAPGCGZ-HKBQPEDESA-N 445.564 1.742 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nccs2)C1 1359060178 MZJTZQBNLIATCN-OAHLLOKOSA-N 432.575 1.801 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1359107098 CHTUBXLMAXSZAL-MRXNPFEDSA-N 444.565 1.920 30 10 IDEE C=C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1359166941 NBCBZXGZAJRPRF-UHFFFAOYSA-N 445.527 1.684 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359302835 VNBQKVWEBXYCIF-QGZVFWFLSA-N 427.509 1.281 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1C(C)(C)C 1359305646 JKLOMCVFNSEUIA-UHFFFAOYSA-N 429.525 1.573 30 10 IDEE 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C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1639148857 ZIXKSFMFVOXUKS-MKXGPGLRSA-N 448.564 1.972 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1640916206 MXTGSBGUHHSMOF-NRFANRHFSA-N 443.525 1.693 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1641379466 ZLZKJAGEOKKYTC-VHDGCEQUSA-N 445.335 1.149 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1641499210 GUKQTDYXTPTIDR-LJQANCHMSA-N 447.944 1.887 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 1643379247 GQEWKUFNXCXVIA-GOSISDBHSA-N 435.546 1.532 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 1644986523 RMBFCXHCDLGEMC-YRXWBPOGSA-N 435.565 1.951 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3ccc(Br)cc3Cl)C[C@H]1CS(=O)(=O)C2 1648416103 UOZUBIDQEHPVKY-BONVTDFDSA-N 432.727 1.911 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)s1 1652987331 DVLJJOZNZHTOCS-CQSZACIVSA-N 448.526 1.670 30 10 IDEE COc1ncc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1C#N 1674321965 GBQUPYSXUMBBCK-QGZVFWFLSA-N 441.463 1.940 30 10 IDEE C#CCOc1ccc(CNC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1682742903 QZUNKKMVCCDSGT-BATSVXPKSA-N 434.514 1.397 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccccc2OCCN2CCOCC2)CC1 1683221030 GTFPEAIBDPHMMZ-UHFFFAOYSA-N 430.505 1.386 30 10 IDEE C=CCCC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 1683733646 GWNXSAOAVWHEOL-NRFANRHFSA-N 449.621 1.903 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)CC1 1684623877 VJOOSVYXDMNZTA-JOCHJYFZSA-N 430.574 1.750 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1689948803 GRODOQQXAVROFX-HTAPYJJXSA-N 440.552 1.500 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689955491 JSQTWEMGKXYBBL-MRXNPFEDSA-N 427.505 1.527 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689988170 KNXDYXQAAFGMKA-ILOCAZANSA-N 449.577 1.060 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1690109634 YOWLWDXADGCXPR-NRFANRHFSA-N 441.624 1.637 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)cc(C)cc2C)CC1 1690112382 WZBVJIKYWJTUTF-IBGZPJMESA-N 444.605 1.617 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690186884 WVMUVAGTOXJBAT-BRWVUGGUSA-N 432.594 1.777 30 10 IDEE C[C@H](c1ccccc1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1692647029 QPLURUWOQRBXSJ-VWELRIEJSA-N 449.515 1.953 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(COC)CCOCC1 1698136562 YPBLAORPOXCQED-OXJNMPFZSA-N 425.505 1.887 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)OC 1698247061 MJSYZKHUMAVEJT-KSSFIOAISA-N 442.520 1.962 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1705496005 YEYQYLNRYCFTBS-STQMWFEESA-N 441.355 1.297 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC2(C1)OCCO2 1705630540 WUIHFQKPENAJOA-LJQANCHMSA-N 428.537 1.769 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 1705700794 YQQCMLYMFKPVKC-OIISXLGYSA-N 425.555 1.191 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1706748489 IXIQAHAIIMEKQV-CYBMUJFWSA-N 434.522 1.569 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1706870142 WNEWQPJZSIRTPR-OCCSQVGLSA-N 432.497 1.443 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1711421434 AKFHJIGIJQUJTF-KRWDZBQOSA-N 432.506 1.080 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1712453219 GEKKRBBEWPUSCV-QGZVFWFLSA-N 428.518 1.618 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1712702621 YKTPAAUIFNFMOS-LJQANCHMSA-N 432.481 1.320 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722367149 UXKKTZLLUMAOHH-LJQANCHMSA-N 430.574 1.965 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2OCCC2(C)C)CC1 1722441898 UJAFXDWGIPSVDN-SFHVURJKSA-N 442.589 1.840 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@@H]1CC 1722502341 IGCUGQLUUIVHLQ-HBFSDRIKSA-N 427.553 1.836 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCOC)CC1 1722508097 QRORIFFJBXGEJI-POAQFYNOSA-N 433.553 1.842 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC 1722512450 HAALSQOTWDYFRY-UHFFFAOYSA-N 431.522 1.546 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722535196 BFUMCCAEOGHERG-HUUCEWRRSA-N 447.517 1.976 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1722699403 HONFVOHSGFFRKM-HNNXBMFYSA-N 446.502 1.944 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1722699820 ZHKJBKIUFFRRIJ-FQEVSTJZSA-N 439.560 1.967 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1723629788 CMFRMVSIDBOBRR-UHFFFAOYSA-N 447.547 1.792 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CC1 1728633027 FPTSYPRLDDSYOB-UHFFFAOYSA-N 442.612 1.672 30 10 IDEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1730490630 BVLCGCQSNQSKKN-OALUTQOASA-N 442.495 1.835 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)F)c1 1730995136 KCIDKAUKLFKNEW-CQSZACIVSA-N 441.460 1.707 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740624506 JIXFRZPAPFOWDD-GOSISDBHSA-N 447.605 1.998 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740627626 ROEVYXROCXWZTI-OALUTQOASA-N 435.594 1.285 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1740684433 REHKZLQRTCEWHF-UHFFFAOYSA-N 432.488 1.060 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)n1 1740689403 VMPSVJAGDZJICX-JPYJTQIMSA-N 444.580 1.889 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)CC1 1740695974 IIOYIAVXBCEHSJ-IBGZPJMESA-N 443.573 1.301 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1740730843 JOLLYBXUFPZUCW-QFBILLFUSA-N 439.607 1.153 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1740767065 PABDVZLAEWSNTQ-CQSZACIVSA-N 430.575 1.815 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](OC)C1 1740988389 CUAHJZDCRXWOHZ-MRXNPFEDSA-N 436.534 1.788 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1741128464 WLIYVTSWKPOFKV-PBHICJAKSA-N 434.508 1.431 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1741803002 NHDFTAXAELKLNC-HOTGVXAUSA-N 425.555 1.504 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cc1 1742283154 FKVHCHGKZTWQNF-HXUWFJFHSA-N 434.500 1.950 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)N(C)C)n1 1742700743 FPPHRHVXMFCOFY-INIZCTEOSA-N 435.536 1.625 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(S(C)(=O)=O)cc1 1748825372 VMMKSFDPWXKFJB-UHFFFAOYSA-N 441.557 1.721 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1748848530 IAMJFPGSUOLZIL-UHFFFAOYSA-N 434.544 1.114 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1748894916 KLUYDPNNBNVOMP-QFIPXVFZSA-N 426.542 1.190 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1748945379 RWERAFSNQCRVBZ-KRWDZBQOSA-N 445.520 1.585 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C(=O)NCC)CC1 1748980104 ZJVHNVFMLQPUET-UHFFFAOYSA-N 439.520 1.771 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCCCO2)CC1 1749009907 XGQZPIYABFXGBB-IBGZPJMESA-N 425.537 1.604 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(O)CCC2)CC1 1749304001 SACQAUDIDNWSKF-MRXNPFEDSA-N 425.555 1.073 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnnn1 1749538528 WWUZLUCHZZNRDY-SFHVURJKSA-N 442.549 1.450 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1 1749670135 RTIFSBYPTYBQSS-AWEZNQCLSA-N 439.488 1.397 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1750380896 AYNPVNXJKWEYOY-VQTJNVASSA-N 438.532 1.839 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750523795 CIXYUHHPBHLHMT-LVWUPQHWSA-N 444.536 1.560 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1751911447 LWZQOPKQSRHJOY-IBGZPJMESA-N 438.536 1.064 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCCN1CCC(O)CC1 1760210972 YAYACBJPGASTBI-UHFFFAOYSA-N 425.508 1.916 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760225054 GIFBWPQCMTVHOA-FOIQADDNSA-N 436.509 1.566 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)NC)CC1 1760315840 JNBNZGBDNCSULL-KSZLIROESA-N 436.557 1.445 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1760322217 PNBGCNHXBNQNSW-MLHJIOFPSA-N 439.582 1.581 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760453772 IRUYEMNVABMITO-AWEZNQCLSA-N 439.442 1.811 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1760495646 TUKSOQJIYQCKOU-IRXDYDNUSA-N 425.555 1.216 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](CC)C1 1760522965 IEXOMYHYDPXCFV-OAHLLOKOSA-N 431.566 1.777 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760550559 BFMFHGMEXKERGP-HNNXBMFYSA-N 433.534 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1760557470 MMZNOPQDECOUCD-HXUWFJFHSA-N 444.492 1.772 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1766819811 PMCIQNKRFPQDFE-LZICOFPGSA-N 425.493 1.805 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1768538996 DFKGHIAARBTKSH-CQGGRAHPSA-N 447.586 1.741 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1(C)C 1769086416 RLFGTMPJWOKTSJ-GOSISDBHSA-N 438.532 1.960 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1769156908 KAZAHNITBWCHBL-SBUREZEXSA-N 435.532 1.694 30 10 IDEE N#CC1CCN(C2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)CC1 1852764324 CYVADNWCVHHNMH-UHFFFAOYSA-N 446.573 1.548 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCCN2CCOCC2)c2ccc(C)nc2)c(C)c1 1853537960 DIEIASYFJHLKTQ-UHFFFAOYSA-N 432.546 1.996 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C(=O)C2)s1 1853612530 JKQRVCYIMRDVCM-AWEZNQCLSA-N 426.473 1.983 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1856552613 IYUOVOOZWHZOAU-FUHWJXTLSA-N 430.530 1.304 30 10 IDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C(=O)C2)C1 1856843883 JHHOANCOMNFJIT-AWEZNQCLSA-N 427.427 1.353 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 1867797412 ZYJOUUSADQOFMP-DLBZAZTESA-N 425.445 1.441 30 10 IDEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C 1870155653 YHQVWBBCNWJKSZ-UHFFFAOYSA-N 445.395 1.899 30 10 IDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688415 BCDQODGWGYMMKK-UHFFFAOYSA-N 443.508 1.353 30 10 IDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(N(CCOC)CCOC)ncnc21 1873562541 IEOBPVWKVYIXOJ-IRXDYDNUSA-N 431.537 1.966 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc3c(c2)OCCO3)CC1=O 1874341939 WKFCVJNLGUSYHH-UGVMZYNRSA-N 431.518 1.740 30 10 IDEE C[C@H](C#CC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 1902015621 AHTIHSBSBLXHMS-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 1984940674 MIRZPVKRPJTUCV-XHSDSOJGSA-N 425.526 1.780 30 10 IDEE CCOC(=O)N1CCN(C(=O)COC(=O)C=Cc2ccc(OCC#N)c(OC)c2)CC1 2042438009 OJXAQZXXUKONNO-UHFFFAOYSA-N 431.445 1.455 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)Cc2nccn2C1 2054338167 ZHCSWMKWYAPWII-GFCCVEGCSA-N 435.344 1.830 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2067791224 KTNZKWABBNZVOC-MRXNPFEDSA-N 434.342 1.735 30 10 IDEE C=CCN(CC(=C)Br)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2076834598 KSJBLXMOHBDMGI-CYBMUJFWSA-N 437.356 1.848 30 10 IDEE C[C@@H]1COC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N1C(=O)OC(C)(C)C 2124540008 BPYTXRSUOWBRCO-UKRRQHHQSA-N 448.329 1.739 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141670878 SVZQKJDPQQLIPO-CQSZACIVSA-N 448.329 1.478 30 10 IDEE COc1cc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1C#N 2195272964 IKDVLUQGCJRBCQ-QGZVFWFLSA-N 432.454 1.861 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243418855 MFQCYRSRRQXNIL-LLVKDONJSA-N 427.332 1.058 30 10 IDEE C#CC1CC(NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)(C(=O)O)C1 2247565421 SNPXDZOWGYWFRL-UHFFFAOYSA-N 429.517 1.996 30 10 IDEE C[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2247951024 GOQBSRFGSMPSCZ-ZDUSSCGKSA-N 441.359 1.572 30 10 IDEE C[C@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2248406251 WHSWAFGZIACKFP-NWDGAFQWSA-N 438.359 1.986 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 2267181509 TUARRDCDTLHWNN-CVEARBPZSA-N 447.341 1.399 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267267218 IXZCGJJWBVXRDQ-ZBFHGGJFSA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](O)C1 2267274590 CARKHAOYAPPDLQ-MRXNPFEDSA-N 447.341 1.435 30 10 IDEE Cc1ccnc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267510856 SDQXEZAHMHLTPW-UHFFFAOYSA-N 446.357 1.887 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267547874 OHWSDMLJNSBSIO-KGLIPLIRSA-N 449.361 1.538 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCOC[C@@H]3OCc3ccccc3)nc2)OC1(C)C 2267549210 XYOSSVXZAYOJPF-MOPGFXCFSA-N 439.321 1.880 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267551210 JQENPRANISXDDG-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE Cc1nc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268630606 MMGZDBSLCISTSJ-DZGCQCFKSA-N 448.329 1.393 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2269713767 UVCRMFVNZUZAHQ-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE CCCC[C@H](/C(O)=N/S(=O)(=O)N1CCc2sccc2C1)N1CCCS1(=O)=O 95455079 NFKGNPNYFBCEGI-CQSZACIVSA-N 435.593 1.902 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 105561966 TWBGKISPRKXICD-UHFFFAOYSA-N 431.543 1.762 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C(=O)NC)C(C)C)nnc12 428129202 FDJMLQDVDJGAHB-INIZCTEOSA-N 428.518 1.209 30 10 IDEE CC(=O)N1CCN(Cc2ccccc2NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 444963362 WBKPGLJXFOASLL-UHFFFAOYSA-N 447.543 1.971 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4snc(C)c4C#N)CC3)C2)n(C)n1 460665461 ZCDZFNJTYZORGI-MRXNPFEDSA-N 428.566 1.866 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 460939425 SLGSCSJRHNXCJO-QGZVFWFLSA-N 429.525 1.848 30 10 IDEE CCN(CCC#N)C(=O)CN1CCN(CC(=O)N(CC)CCC#N)C2(CCCCC2)C1 483095210 ZIIHCNLADPOQIP-UHFFFAOYSA-N 430.597 1.831 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1C#N 494104536 DNFRIEVHALYIHI-SFHVURJKSA-N 437.525 1.944 30 10 IDEE C=CCN1CC[C@H](N(C)c2cc(C)nc([C@H](C)N(C)[C@@H]3CCN(CC=C)C3=O)n2)C1=O 500008441 BITCXEJCLWCGPN-OTWHNJEPSA-N 426.565 1.788 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCN(C)[C@@H]3c3ccc(F)c(F)c3)CC2)o1 517548444 QPJOWAPPJOQGBT-WIYYLYMNSA-N 444.486 1.817 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cs1 517988982 YECSACTYXSGDHX-CQSZACIVSA-N 432.571 1.135 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1=O 541195645 FSVZLJRXVWLJQC-IBGZPJMESA-N 435.532 1.705 30 10 IDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCN(CCOC)C(=O)C1 554930617 QVORFWGNBGKJFR-UHFFFAOYSA-N 445.520 1.842 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)CC2)n1 565981606 GRXUJVJLMNXROO-QGZVFWFLSA-N 426.427 1.869 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCC2)CC1 576354111 NPKFKQIKXLSIIL-SFHVURJKSA-N 438.598 1.252 30 10 IDEE CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 609255537 DAXHRNNZBATJGX-UHFFFAOYSA-N 437.475 1.269 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)C)CCN2C1=O 619849425 FJPKDTBEKIFWBC-GOSISDBHSA-N 437.504 1.857 30 10 IDEE CC[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730141276 IVASGYBFKVWFJF-JZXOWHBKSA-N 447.605 1.989 30 10 IDEE CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc(C3CC3)nc21 732664609 RRBPIELQCSZLOJ-MRXNPFEDSA-N 436.516 1.843 30 10 IDEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665147 YNYHEJLIOFSVQD-QZTJIDSGSA-N 431.518 1.645 30 10 IDEE COc1cc(Br)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 732707746 FQSNSALTJOSRCW-LBPRGKRZSA-N 437.294 1.604 30 10 IDEE CCOc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 737948201 SSAFQNVIMKVLGL-UHFFFAOYSA-N 430.486 1.642 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F)[C@@H]1CCS(=O)(=O)C1 751274554 XGINBISHXZOATG-CQSZACIVSA-N 430.523 1.117 30 10 IDEE O=C1C[C@H](C(=O)O)N(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)N1 757542726 LNZQIJKTRFZALZ-LJQANCHMSA-N 433.420 1.245 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(C(=O)NCC)C1 760923552 LEFSXVBJRISVFD-ZBFHGGJFSA-N 435.550 1.204 30 10 IDEE C#CCNC(=O)CN1CCCN(c2ncnc3cccc(I)c23)CC1 762800680 BPJWSLKXPUNUBK-UHFFFAOYSA-N 449.296 1.496 30 10 IDEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 765013117 NQRHWNUBUPECBJ-HNNXBMFYSA-N 434.543 1.855 30 10 IDEE C[C@@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(Br)cc1 770504005 NDIPBIJWGJHMAJ-WFASDCNBSA-N 427.320 1.909 30 10 IDEE CS(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C(F)(F)F 772432373 VKXQGWPQYXZWCP-AWEZNQCLSA-N 430.452 1.991 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772911297 SQXKJRCWTLCHKP-UHFFFAOYSA-N 448.573 1.871 30 10 IDEE COc1ccc(CCn2c(=C(C#N)C#N)sc(=Cc3cc(OC)cc(C)n3)c2=O)cc1 776752764 KYKQSIXFRGFMLX-UHFFFAOYSA-N 432.505 1.900 30 10 IDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 787057054 SONXNLOFCTZXBE-SJLPKXTDSA-N 427.461 1.848 30 10 IDEE Cn1cc(/C=C/C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 792589462 UCYLIOQSSLOLQC-DKFQHHCZSA-N 427.892 1.160 30 10 IDEE COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 798859744 NGOQWHDVFKCIBD-WDEREUQCSA-N 427.870 1.283 30 10 IDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 802454573 XZVAIZOHURCIKE-LAUBAEHRSA-N 437.548 1.452 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 806342552 LDWFDFZYRKEULU-IBGZPJMESA-N 447.495 1.936 30 10 IDEE COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c1 917798350 AQJAVUZKHKHLQB-UHFFFAOYSA-N 428.473 1.823 30 10 IDEE C=CCn1cc(C=NNc2nc(SCC(=O)N(C)Cc3nnc(CC)o3)n[nH]2)cn1 1084349007 DYKJEEASOZSJKQ-UHFFFAOYSA-N 430.498 1.329 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccc([N+](=O)[O-])cc3)n2)o1 1084611720 KHTYZOLCOUTSFB-UHFFFAOYSA-N 445.465 1.903 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C#N)c(SC)nc2O)c1 1125419295 WFGKQADEFJZKML-UHFFFAOYSA-N 436.493 1.868 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)s1 1138759472 OQLGRMJYNFVMKL-UHFFFAOYSA-N 442.469 1.129 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1152947401 PEPZADIRRVJCDX-XVNBXDOJSA-N 446.456 1.369 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCc2cscn2)CC1 1152967485 IUNFLFOIPZVYCY-UHFFFAOYSA-N 436.584 1.661 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2CCOC[C@H]2C1 1153915077 AOKYUBTXWPAOCL-QUCCMNQESA-N 426.517 1.936 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12CCCC[C@@H]1CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1160017614 SFVPBKWKXKHJPK-OPAMFIHVSA-N 445.520 1.754 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c(C#N)nc(C)c1C 1166595270 SDAVWRBBCSBTOA-UHFFFAOYSA-N 433.490 1.040 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c3cccnc3)n[nH]2)c1C 1171206890 GUODMYQCDRDFIR-UXHICEINSA-N 438.488 1.866 30 10 IDEE CC(C)(C)OC(=O)[C@]1(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOC1 1171805198 PZSBPSIAKLYCKB-XXBNENTESA-N 446.523 1.625 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3Cc4cnccc4NC3=O)C2)C1 1176659723 YFHSUNMUFYOLMM-MMZUESARSA-N 425.489 1.848 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C[C@H](O)COc1ccc(CC#N)cc1 1196185641 CNOAUPBFJLWMSB-PGRDOPGGSA-N 435.521 1.080 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1196971915 FAGGPBBIAAVWJC-MOPGFXCFSA-N 448.589 1.525 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1 1198250399 DAJVJGMYBAMMLK-UHFFFAOYSA-N 434.440 1.635 30 10 IDEE C=CCN(C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1264995657 OLEVWWHKPRQGCM-GOSISDBHSA-N 426.560 1.361 30 10 IDEE CN1C(=O)[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1278866101 NQVFYCOIFFZWJQ-ROUUACIJSA-N 431.452 1.467 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1286296210 MXOKNMPALVQSQX-GIHUOFSVSA-N 448.483 1.775 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286394917 XZYXYYQYGNMBAX-FQEVSTJZSA-N 438.557 1.472 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1286503540 HLJUINRCAOVIRA-UHFFFAOYSA-N 431.529 1.695 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286524628 ILYJSZIAFNUKKC-BDIWWCJBSA-N 431.500 1.782 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1286561973 DJJNESCHXOFOKV-OXQOHEQNSA-N 432.569 1.733 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1286775096 ZSEIXTJVJIZDQA-OAHLLOKOSA-N 426.930 1.482 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCOC1 1286815149 MWXDIHLVLQTHPW-HNNXBMFYSA-N 435.506 1.927 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286827786 AHUXDZBJBNXQBR-UHFFFAOYSA-N 427.538 1.185 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)CCS2(=O)=O 1289584175 XXYSXZFOTKDUCE-RAJLDSNDSA-N 429.498 1.256 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCn2cc(Br)cn2)c1 1298775213 WSESTTZVGCXXLW-UHFFFAOYSA-N 429.271 1.902 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1300497433 BLWISFQEDVSBRE-IBGZPJMESA-N 444.605 1.478 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1COCCO1 1300635862 ZBNKIZZOQJVFMY-JOCHJYFZSA-N 438.576 1.518 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300896360 DNTDEXWGJVKKJA-LZFQIVBZSA-N 446.552 1.610 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1300929182 YNNJOPOVUWFNAI-NSHDSACASA-N 433.460 1.700 30 10 IDEE C=C(Cl)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301061434 UQFZLKHVRJXLAX-IBGZPJMESA-N 427.933 1.366 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301258993 CHHDIROBTVIJRL-UHFFFAOYSA-N 434.566 1.328 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301482713 ASIHIVWWVUDVDD-MRXNPFEDSA-N 448.531 1.694 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301483538 QGNDQPKKRRJJMX-HXUWFJFHSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1301492964 SMLVKLCXHSIPSI-UHFFFAOYSA-N 439.520 1.250 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](OCC=C)C1 1301498647 RPWXZXKAEDMGOC-HNNXBMFYSA-N 435.488 1.677 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCCC2=O)CC1 1301500323 LBCVYQODWUVPGI-KRWDZBQOSA-N 430.553 1.456 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(=O)COC)CC1 1301507038 UPVHUVIRGFGDBX-UHFFFAOYSA-N 444.511 1.042 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(=O)NCC)cc2)C1 1301554476 HNAWRMBHQHGWKT-RTBURBONSA-N 438.532 1.809 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301575101 BKZWXTBDLVHWHB-VQIMIIECSA-N 445.545 1.658 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301589127 NZNIVPLVJSRPTN-IAGOWNOFSA-N 440.566 1.157 30 10 IDEE Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1302721252 FBWMFEMPNMBLBR-PXNSSMCTSA-N 426.542 1.924 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1303010647 ZHZZRPJWVQKKMV-HXUWFJFHSA-N 443.596 1.881 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1303628639 XUZGWFUNYOLFOF-NSHDSACASA-N 444.359 1.713 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1305590323 DVSRAGIWPZBWSV-LMVHVUTASA-N 429.477 1.407 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1307823473 PAXZKLJNWVNLIW-SFHVURJKSA-N 430.505 1.932 30 10 IDEE C#CC1(O)CCN(CC(=O)N(CCCCC)c2c(O)nc(=O)n(CCCC)c2N)CC1 1307962634 VUOFCGISDOLNEC-UHFFFAOYSA-N 433.553 1.315 30 10 IDEE CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1315195340 XXJGVTDXUQHMLU-SFHVURJKSA-N 440.552 1.681 30 10 IDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)CC1 1315752576 QLUHLQWFIMCJEP-UHFFFAOYSA-N 444.561 1.777 30 10 IDEE C#CCN(C(=O)c1cnc2scc(-c3ccccc3)n2c1=O)[C@@H]1CCS(=O)(=O)C1 1318342272 LMECKBMGTQLKSQ-OAHLLOKOSA-N 427.507 1.686 30 10 IDEE CO[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)C1 1343449211 UGYJMIVHOGOHJD-GVDBMIGSSA-N 430.530 1.953 30 10 IDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1348583369 PDECJFPGINIVLH-LBPRGKRZSA-N 449.754 1.974 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1358872028 NQZWMZAEPPAPHV-CABCVRRESA-N 445.524 1.719 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)N(C)C)c1 1358997035 BFYIBGYBTCWPIZ-UHFFFAOYSA-N 446.555 1.808 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(=O)NC 1359132202 PUGIGAOVLQIPRE-UHFFFAOYSA-N 425.493 1.759 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOCC2(CC2)C1 1359294038 IOOJBMHFMJXNAE-UHFFFAOYSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1359298495 BPWVHTCXXGSIAW-UHFFFAOYSA-N 426.496 1.488 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(Cl)cccc2C1 1359301453 YWJAEFTWFCWDJZ-HNNXBMFYSA-N 449.964 1.699 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1359303490 QFZGEUKEDODJPF-UHFFFAOYSA-N 435.532 1.757 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)C(C)(C)C)C1 1359320349 PHXPMOBUVNXVDG-GJZGRUSLSA-N 425.555 1.224 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCO[C@@H](C)C1 1359333654 FVHAYLIXCKQBRB-AWEZNQCLSA-N 425.580 1.850 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359357241 BJWVGXXOQFSHKD-HLAWJBBLSA-N 438.532 1.661 30 10 IDEE C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1360575423 WBDIWQSRWYEFIA-SFHVURJKSA-N 431.548 1.807 30 10 IDEE Cn1cc([C@@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2(C)C)cn1 1450230083 KNEKZQNXHACPFQ-KRWDZBQOSA-N 429.546 1.891 30 10 IDEE CCOC(=O)Cc1cnc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1451600573 HDRPUWOUPDXTCJ-NSHDSACASA-N 436.515 1.705 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1466738182 PNOHEGIIWSWDPX-GOSISDBHSA-N 449.529 1.572 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)c(C#N)cn1CC 1476760491 GPDJICUEJFPYQX-HNNXBMFYSA-N 432.525 1.621 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCCO1 1497056045 MMTWAFWCXXNTMQ-RBUKOAKNSA-N 429.569 1.942 30 10 IDEE CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1502841017 DRHXYSRCJXQYMR-PBHICJAKSA-N 434.522 1.064 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)n(C)c1=O 1507685611 SVFUCZHQJHWDPL-UHFFFAOYSA-N 429.488 1.436 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)C 1507712014 ADYDSOZERNDGBA-UHFFFAOYSA-N 437.504 1.595 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507726400 IJOFFXJNDOVSRY-WZONZLPQSA-N 436.516 1.024 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)N2CCCCCC2)CC1 1507739491 ILAVXFFGMDOLRO-UHFFFAOYSA-N 440.592 1.989 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1507760682 DQYQBVKQSUHRFO-CTNGQTDRSA-N 436.578 1.747 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507790929 FRWHYLLRJONBRF-UFYCRDLUSA-N 448.612 1.945 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@H]2C1 1507804185 JBEKWNOFAUVQTJ-XSYGEPLQSA-N 433.553 1.794 30 10 IDEE C=C(Cl)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507872205 BDSHGIPEXDXWLF-HXUWFJFHSA-N 440.976 1.329 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508126822 LMMOCPLDWSDCHX-RTBURBONSA-N 446.577 1.469 30 10 IDEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCS(C)(=O)=O)o1 1510807516 ZOMIFZLXRLOKLJ-UHFFFAOYSA-N 442.501 1.816 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)O1 1513532983 IUNXHGSFKSSWRV-MJSCVDMRSA-N 428.534 1.678 30 10 IDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)c1 1521875550 NNXNKESWEYRJJM-DQLDELGASA-N 425.489 1.706 30 10 IDEE C#C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1529522379 VMKQPXDLXTUHGX-INIZCTEOSA-N 429.336 1.614 30 10 IDEE C#CCN(C(=O)c1cnn(C(C)C)c1I)[C@@H]1CCS(=O)(=O)C1 1530298243 XALOBEZTIPMSJE-LLVKDONJSA-N 435.287 1.331 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OCC 1537004514 ZTLNLQILLOKBSX-QGZVFWFLSA-N 440.518 1.344 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1539178901 MADUQXCGAATUHH-GOSISDBHSA-N 428.558 1.998 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539221634 QTYJVXBDUQJVDQ-ROUUACIJSA-N 433.509 1.729 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1539302003 ZVCCEWKVANPCLF-QHCPKHFHSA-N 440.500 1.585 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CC2)CC1 1539469661 TXHWQDLUJSUBAC-DHIUTWEWSA-N 445.564 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc4cccnc34)n2CCC(=O)NC)CC1 1539474335 OYXOPUVEPFMHPB-UHFFFAOYSA-N 445.527 1.595 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N 1540868334 AUXSIJOGYUIZMJ-AWEZNQCLSA-N 430.538 1.279 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1540868913 WERZSKFPTZDIFC-UHFFFAOYSA-N 437.504 1.024 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540872175 FXJDJCQCELCVQQ-QGZVFWFLSA-N 447.561 1.193 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CN(C)C(C)C)CC1 1540902801 QOABOBZBFRJREX-IBGZPJMESA-N 439.626 1.939 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCSC2)C1 1541987726 DOQBWNJGOXAOGC-UXHICEINSA-N 427.534 1.923 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1543316052 VSMKZRGRXPKLPQ-UHFFFAOYSA-N 437.529 1.632 30 10 IDEE C#CCN1CCCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 1544084038 DXPINTBGWXJBKM-UHFFFAOYSA-N 436.257 1.048 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@]1(C)COCCO1 1544582600 NKPNVRPEGNWCDU-KSFYIVLOSA-N 440.552 1.758 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1556788080 GJUUQEFVWPZFNJ-UHFFFAOYSA-N 432.502 1.188 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 1557384592 SQWCMKLEDNFYBD-INIZCTEOSA-N 435.527 1.446 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CC1 1558073086 MCGBPXKFJAIXGW-MRXNPFEDSA-N 444.598 1.270 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)C1 1558328683 DVZDPUSTVRGNRK-OAHLLOKOSA-N 428.352 1.283 30 10 IDEE C=CCCC[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1558384501 ZSEJHUBECQHGKH-JKSUJKDBSA-N 425.526 1.906 30 10 IDEE CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1561120649 AXUSZADMMOHROY-UHFFFAOYSA-N 442.332 1.456 30 10 IDEE C#CCOCCC(=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]1c1ccccc1F 1572872368 RGCLDWGEBRIBEY-GSFDJTBLSA-N 426.488 1.700 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 1588198887 BESYXHKKAXEJDT-UHFFFAOYSA-N 438.509 1.884 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCN(CC)CC1 1588445093 GNQUQBCXZZMZNU-GOSISDBHSA-N 443.621 1.755 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CCC2)C1 1595720846 CGBVTUFTBAZJPR-UMWAFNGASA-N 442.607 1.263 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)OC(C)(C)C)C1 1595743804 GKDCZHXXCZOHFU-INIZCTEOSA-N 434.541 1.707 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1611302306 GNHJCGMLUYNSMA-PBHICJAKSA-N 430.534 1.560 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N(C)C)c(F)c1 1611659362 QBICVNDOVNVRIE-KBPBESRZSA-N 437.545 1.880 30 10 IDEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1614319421 ATDBHNBLTZOPNZ-JHBCHSCWSA-N 443.552 1.500 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CC(=O)NCC(F)F)cc1 1620350670 NUDAZQPWVBXJOR-HXUWFJFHSA-N 429.431 1.057 30 10 IDEE N#CC1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1620352992 CXYNLBNDAMDMDF-UHFFFAOYSA-N 437.529 1.970 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CCO1 1620355595 LBIRXLFONJPMHH-OLZOCXBDSA-N 432.282 1.164 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1=O 1622074739 QBACKAJZVOALGJ-RTBURBONSA-N 435.546 1.694 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCSC[C@H]2c2cnn(C)c2)s1 1623428792 RCZOJBPFTQYRDM-HNNXBMFYSA-N 426.589 1.805 30 10 IDEE Cc1sc(=O)n(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1-c1ccc(F)cc1 1626655943 NWXJMNJUDOWVLI-LIRRHRJNSA-N 435.502 1.421 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)CN1CCCCC1 1630361678 CGIUPPBJJIMKCH-FUHWJXTLSA-N 436.578 1.103 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)s1 1633544627 LIGJAIJHFSJPNK-LJQANCHMSA-N 448.526 1.253 30 10 IDEE CCOC(=O)[C@@]1(F)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1CC 1634413393 UBMNHRZYMZFHSU-ZUEVXXBESA-N 425.482 1.365 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C(=O)OC 1635158570 FBONBXWPDQZLGM-GOEBONIOSA-N 428.407 1.914 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1636856639 AUFAMUOZFWZDHL-QYZOEREBSA-N 436.574 1.977 30 10 IDEE N#Cc1c(CCCNC(=O)NCCN2CCC3(C2)OCCO3)nn(-c2ccccc2)c1N 1638581754 FZDAZRPRWJXNGU-UHFFFAOYSA-N 439.520 1.007 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1 1640797233 JZDYKIZPMWPQEY-MRXNPFEDSA-N 439.534 1.205 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1642227271 QQSOQKGTCODVCL-UHFFFAOYSA-N 448.504 1.164 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 1645146084 GIPTXAXYZCAHGU-ZJTDPSCFSA-N 449.529 1.042 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1645581027 HYEUWUFGYMBMQP-UHFFFAOYSA-N 428.308 1.336 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C(=O)OC 1655080041 WPUYWVJECSUVIF-IYBDPMFKSA-N 426.391 1.067 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 1664367649 RDXLUJDVWKYXMO-MRXNPFEDSA-N 429.498 1.695 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1671495607 USYQISMIOAQQCJ-VIQHNZTISA-N 435.525 1.912 30 10 IDEE C=CCN(C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1673272704 HMVLXQGPBXLAED-INIZCTEOSA-N 437.522 1.554 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CF)c1 1689868577 KZZAIVHBXCONHU-JLJPHGGASA-N 448.524 1.475 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690011741 BHODOPCRVXKVBA-UHFFFAOYSA-N 434.525 1.712 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(F)c(F)c2)CC1 1690110448 MWTXYELOFGIGNG-UHFFFAOYSA-N 432.475 1.529 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1690218486 ICZUGOZYXBJVRH-UHFFFAOYSA-N 427.303 1.311 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2(=O)=O)C1 1690684426 FSZMLLRYFWACKS-HZPDHXFCSA-N 425.555 1.165 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1690687075 YEXLYBUUGDVOAG-GOSISDBHSA-N 426.521 1.446 30 10 IDEE CCc1nnc(N2CCC(OC[C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694704699 KTJWEIPSDZTWRD-JHBCHSCWSA-N 444.536 1.389 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1696618896 MOJWRKVVWUDUHT-SFHVURJKSA-N 425.537 1.487 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnnn1CC1CC1 1696981854 IBKLDDRZLPVKJY-UHFFFAOYSA-N 434.508 1.224 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CCO1 1697890225 STYVGRCSJFZEED-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1705499892 AURQIJQNFRFJGF-INIZCTEOSA-N 429.546 1.505 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705507949 NBKSGZHCMAXXBM-QFIPXVFZSA-N 425.537 1.803 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705547560 INMUDPIEXUJYDI-HNNXBMFYSA-N 426.477 1.410 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705567907 CIIMYYBNRORDOC-GOSISDBHSA-N 437.610 1.706 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1705569380 GNERTQSHJFLXHS-SFHVURJKSA-N 435.594 1.554 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705663470 IUFDBNHJAZWMAL-UHFFFAOYSA-N 449.602 1.348 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1705900407 BSULTTAIBOZCTD-UHFFFAOYSA-N 437.504 1.024 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705937529 WWIFPRIMFIRSCB-GOSISDBHSA-N 445.593 1.727 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1706743470 BHQOESYJBIPSOO-LBPRGKRZSA-N 428.888 1.172 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1711419880 MHVCMIVCNMVTDZ-SFHVURJKSA-N 444.561 1.497 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1712596763 WMJXHIOZRPDDAW-INIZCTEOSA-N 434.447 1.440 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCn2ccnn2)c1 1722308519 BZFJSSDVVWEFGL-UHFFFAOYSA-N 444.503 1.417 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1722361049 DWTSFHAANYKIPM-SFHVURJKSA-N 432.546 1.543 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1722390860 GJWCPULEBKIEGM-XMMPIXPASA-N 435.528 1.801 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1722538443 XXHSBVQOJWRDHO-ZACQAIPSSA-N 427.571 1.296 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCOCC2)CC1 1722580273 CAPRUQPYUZIPRS-SFHVURJKSA-N 437.610 1.693 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722619834 FWPXIILDGNOYBE-UHFFFAOYSA-N 432.569 1.802 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOC2=O)CCOC1 1723675866 JFHGJLNSANSVSM-WOJBJXKFSA-N 436.488 1.603 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1729186361 DTHBAOZXSPQBFL-RHSMWYFYSA-N 430.534 1.355 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1729408291 BLUPIVPLOOPFHZ-GOSISDBHSA-N 442.545 1.562 30 10 IDEE CN(Cc1ccccc1)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1729414727 FKZODRDDRMFFOU-HXUWFJFHSA-N 431.500 1.651 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729609069 ANIHRTIDBQWIJE-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCS(C)(=O)=O 1740531176 GVQNFVKWPLLFMV-AWEZNQCLSA-N 437.953 1.754 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCCC 1740560976 UKCQBPRDRFKZHF-FQEVSTJZSA-N 437.592 1.627 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1740588610 CDJBKSFOGUDZNY-UHFFFAOYSA-N 428.518 1.878 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740620187 CEIDDWDJRGGZAK-DLBZAZTESA-N 449.627 1.815 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1740629523 QJADHFJTTCMOKC-JOCHJYFZSA-N 448.571 1.871 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740690157 HPJRDCKYSUXUJK-CEXWTWQISA-N 443.523 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1740706033 QGZYQNCYJFUBBQ-UHFFFAOYSA-N 448.571 1.777 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740823314 AWJMAOZKTYGTLL-MSOLQXFVSA-N 429.569 1.328 30 10 IDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740877102 YNMMDEQZJOBPMI-GOSISDBHSA-N 430.553 1.409 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1740880046 BWBYTEFTVJYDGV-UHFFFAOYSA-N 430.509 1.564 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740944119 UOAODRTXCAJPCE-RDJZCZTQSA-N 430.534 1.096 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(CC)(CC)C1 1740960318 PIDYBSDDYLMNOV-HNNXBMFYSA-N 441.623 1.594 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(N(C)C)CCSC1 1743196469 CEDUWXANTHPYMQ-OPAMFIHVSA-N 439.589 1.921 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1748994380 ZKSWIECCDARSFP-UHFFFAOYSA-N 441.649 1.712 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NC(C)C)CC1 1749009190 GDKKXXCYTLNVSP-SFHVURJKSA-N 430.553 1.053 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1750075527 FNOLUWCXOVDTEM-UONOGXRCSA-N 436.504 1.660 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CCCc2ccccc2)nnc1N1CCOCC1 1750418605 KETCXOVMZYMFOW-QURGRASLSA-N 436.516 1.816 30 10 IDEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CC1 1751247905 GASHPEBDHFQDMO-GAJHUEQPSA-N 438.532 1.982 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1751278536 ICCIWUYBIHHSIE-KBPBESRZSA-N 429.493 1.734 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760189775 WRJBWACWLKQXEX-ROUUACIJSA-N 430.530 1.466 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2n[nH]c(C)n2)CC1 1760264125 CLMMFZOJUFSRJX-UHFFFAOYSA-N 434.548 1.898 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)CC=C)CC1 1760268239 OGTLETHNASAVDU-UHFFFAOYSA-N 441.557 1.512 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1760337134 DJXVPYTUXZHNMN-KRWDZBQOSA-N 443.639 1.953 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760425799 VWEPUMVLFZKEHA-SJORKVTESA-N 435.536 1.962 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(C(C)=O)CC1 1760524577 BYWHSVRASMSAIK-UHFFFAOYSA-N 432.475 1.508 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)n1 1762440066 FFQLZSVLPQELBA-IBGZPJMESA-N 449.556 1.939 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1 1763034460 FUIXLEFHWNBWJS-KRWDZBQOSA-N 437.548 1.594 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1763035700 PSCWLDHELLNSJD-INIZCTEOSA-N 444.561 1.699 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1763040453 UVKNWSWJSVEQTK-HNNXBMFYSA-N 431.456 1.909 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCCO[C@H](C)C1 1763197371 DVGIOWJEXSYPPP-BBWFWOEESA-N 441.602 1.128 30 10 IDEE CCn1cccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1765337685 ILVJKRURXNPQIU-SFHVURJKSA-N 435.444 1.812 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1766618671 JSLFDASADFHISJ-GHTZIAJQSA-N 440.548 1.922 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1767546006 HLBXXJCQFMTYMO-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2ccc(F)c(F)c2)CC1 1853414998 CYZNWPGBETYNPM-UHFFFAOYSA-N 442.532 1.919 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2cn3ccsc3n2)C1=O 1854144931 ZOJXXNIZSBAWLQ-IAGOWNOFSA-N 429.546 1.565 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3c(Cl)cccc3Cl)C2)CC1=O 1856786516 CAMLVVSUQKJLSW-NEPJUHHUSA-N 449.312 1.876 30 10 IDEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3cc(Cl)ccc3Cl)C(=O)C2)C1 1856850316 NDWDASFGUOHTCW-CYBMUJFWSA-N 445.328 1.205 30 10 IDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)N[C@@H](CO)C(=O)Nc2ccc(O)cc2)CC1 1866867490 PHRZUFNSAYAVTD-ROUUACIJSA-N 428.514 1.846 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874338760 XJVYWNSITQSCNH-NXSNIQIJSA-N 431.478 1.370 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCC#CCN(C)Cc1ccccc1 1889958211 QYRADDFPVWJKQY-HXUWFJFHSA-N 444.557 1.696 30 10 IDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)c1 1891889952 WZYZFMIJCQGLOS-HNNXBMFYSA-N 449.423 1.775 30 10 IDEE C=CCN(CC(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1)C(=O)OC(C)(C)C 2060399904 DZTADSWYBCZKLX-UHFFFAOYSA-N 449.470 1.784 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060622301 YMCLBFYHVPWCDB-RHSMWYFYSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248442204 VGYQXYPOCNXFGB-AWEZNQCLSA-N 440.371 1.939 30 10 IDEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CN(C(=O)OC(C)(C)C)C1 2255611613 VLWYTKHGTXMBMG-UHFFFAOYSA-N 436.318 1.342 30 10 IDEE CCn1cc(C(=O)NCCN(OC)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815728 RXPFNCGQUKOQKV-UHFFFAOYSA-N 438.334 1.731 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)n1 2255820642 UETIKYDJIAAYPE-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2267138866 YJZUSEFFNPYKPX-FOLVSLTJSA-N 446.357 1.797 30 10 IDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267260553 PBDSOGGFPDJGDD-HALDLXJZSA-N 444.341 1.713 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]1NC(=O)C(F)(F)F 2267272496 ZZOOYTZAGGMTLG-JSGCOSHPSA-N 441.259 1.910 30 10 IDEE C=CC[C@]1(CO)CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2287691728 CIJJNGUNWAGLLQ-YLJYHZDGSA-N 440.518 1.489 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2322306468 JZISJVATHNNRSO-XJKSGUPXSA-N 437.321 1.582 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2337205586 YJZVOVCRNPRHLT-KBPBESRZSA-N 446.357 1.657 30 10 IDEE COc1cc(/C=N/Nc2nnc(SCC(=O)NC(C)(C)C)n2N)cc(OC)c1OC 20919442 YMOCGCPMPHUYRD-AWQFTUOYSA-N 437.526 1.471 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(O)cc2)[C@@H](C#N)C(=O)N3)C1 101441165 OQDWPLYVFWQKBP-BMFZPTHFSA-N 437.456 1.479 30 10 IDEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccncc2)cc1 170359025 SMUAADFGQTZDHI-GOSISDBHSA-N 436.449 1.907 30 10 IDEE C=C(C)C(=O)O[C@H]1[C@H](OC(=O)C(=C)C)[C@@H]2C(=C)C(=O)O[C@@H]2C[C@H](C)[C@@H]2O[C@@H]2C(=O)[C@]1(C)O 256069132 BWAZUXQZSXFTJK-GBYXMGJGSA-N 448.468 1.187 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 409478246 LROAQVLOEITJAA-NVXWUHKLSA-N 432.905 1.447 30 10 IDEE C=CC[C@@H](CO)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 410074815 MYJJAFKXDBJNOB-HOTGVXAUSA-N 432.546 1.598 30 10 IDEE CN1CCc2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc21 440384139 OKWKAPKHRHLXQT-UHFFFAOYSA-N 446.554 1.246 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 466029713 JXESMWXJKUQRRC-KRWDZBQOSA-N 433.940 1.465 30 10 IDEE Cc1cc(N2CCN(C(=O)CN(CCC#N)CCN3CCOCC3)CC2)nc(C(C)C)n1 478046358 NGZFJEFHHQKXQU-UHFFFAOYSA-N 443.596 1.105 30 10 IDEE Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC1CCC(Oc2ncccc2C#N)CC1 480369504 BQTQWIQEWMFIFK-UHFFFAOYSA-N 446.577 1.997 30 10 IDEE CN1CCN(C(=O)c2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 504095879 ZYOIQOCLEDBLRU-HSZRJFAPSA-N 428.533 1.952 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 508472662 LASYLMITSRUOBO-KRWDZBQOSA-N 437.497 1.202 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)c1 540695719 DMERRIVEVUETSM-OAHLLOKOSA-N 439.537 1.531 30 10 IDEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc12 544863804 BTIIIBKLBMLKSG-AWEZNQCLSA-N 437.529 1.677 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 554124348 QNMCVJJDXWZOAP-KGLIPLIRSA-N 434.468 1.706 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1 554402232 ZZRQQQDHPYVCNR-UHFFFAOYSA-N 444.579 1.286 30 10 IDEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 558145542 AHZDYJNJNIGPLU-KGLIPLIRSA-N 442.549 1.862 30 10 IDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)ccc1C#N 570250500 BEOWJRAIDBNLJQ-GOSISDBHSA-N 429.498 1.954 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C#N 604000085 KPSXRZGREBRBNR-UHFFFAOYSA-N 430.464 1.715 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCCC[C@@H]3O)nnc12 607137093 IMYRXSOQXNUOEQ-PBHICJAKSA-N 427.530 1.990 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1S(=O)(=O)NCC#N 609091441 ROTVIJUDCAJOQO-UHFFFAOYSA-N 447.561 1.597 30 10 IDEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 729331378 OBVIHGUBMUJCOY-SFHVURJKSA-N 438.571 1.053 30 10 IDEE C#CCN(C(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)[C@@H]1CCS(=O)(=O)C1 729334538 SIZUHOJMOWUTLJ-TZIWHRDSSA-N 438.505 1.891 30 10 IDEE C#CCN(CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 731212610 GOIQKLKXLWVLDA-CQSZACIVSA-N 440.543 1.497 30 10 IDEE CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 731729723 BEKNQOHZDSTMNL-UHFFFAOYSA-N 434.436 1.434 30 10 IDEE COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2=O)cc1OC 732650519 VMMQOELENXJGJW-HKUYNNGSSA-N 426.517 1.294 30 10 IDEE N#C[C@H]1CN(Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)CCN1C1CC1 732672086 CQJYRKUZNFSZCO-ZWKOTPCHSA-N 433.582 1.059 30 10 IDEE CON=Cc1ccc(C(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1 734974892 DASCYKRCUUULJN-UHFFFAOYSA-N 445.497 1.604 30 10 IDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 736584031 OBAANKZNFKPZIV-AWEZNQCLSA-N 432.571 1.190 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)cc1C#N 747496057 GKDZTPCSZRKNQG-UHFFFAOYSA-N 437.456 1.291 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 756671723 JKCPGZVHPXIUKG-DLBZAZTESA-N 430.530 1.776 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC(=O)O 757353796 GSWROUZKNWIHIQ-FQEVSTJZSA-N 449.463 1.234 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757487638 UTUZDXNPJFZTOR-VFNWGFHPSA-N 436.464 1.869 30 10 IDEE C[N+](C)=c1ccn(/C(C(=S)NCCN2CCOCC2)=C(/O)c2ccc(C#N)cc2)cc1 762439284 QAUOUYHDYMYXMN-UHFFFAOYSA-O 438.577 1.525 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/CCCN(C)c2ccccc2)N(Cc2ccn(C)n2)C1=O 765549568 ZVDYGFZUAGUHRU-MLSMKVKPSA-N 428.562 1.883 30 10 IDEE N#C[C@H](C(=O)C[C@@H]1COC(=O)C1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 766254105 BKULNBCACWFXJR-WMLDXEAASA-N 433.486 1.462 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1-c1ccccc1C#N 767958611 MYMOXKQHVZXDFZ-UHFFFAOYSA-N 448.504 1.246 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 778047571 QJMGTJRGEJFCHJ-UKRRQHHQSA-N 436.534 1.487 30 10 IDEE COc1nc(N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)ncc1Br 780960131 LXSHUXZCWCQLCO-HNNXBMFYSA-N 432.278 1.502 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 794355948 BDXCDSORSSUAEB-GROYHEBESA-N 447.289 1.365 30 10 IDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800772381 BKQSYQWIYAPAKF-UHFFFAOYSA-N 449.540 1.721 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2)CCN1C1CC1 802321980 UMOXRJPAOZLGRY-UYAOXDASSA-N 440.573 1.599 30 10 IDEE C[C@H](CC(=O)OCc1ccccc1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 810942517 MZXMGNYOYYJLRI-CYBMUJFWSA-N 436.511 1.651 30 10 IDEE CS(=O)(=O)CCc1noc(CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 904886698 RJQCYMXXGWPBSV-UHFFFAOYSA-N 426.520 1.108 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cn1 1083980851 MEPGBPYAJIMXGJ-UHFFFAOYSA-N 433.473 1.151 30 10 IDEE C#CCN(C(=O)c1cc(Br)ncc1Br)[C@@H]1CCS(=O)(=O)C1 1125884136 RKTRGQCGFOEEOA-SECBINFHSA-N 436.125 1.869 30 10 IDEE COc1cc([C@H](C#N)NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc(OC)c1OC 1127752997 DIMZBEIEIYJDMK-HOTGVXAUSA-N 438.440 1.534 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)NC3(c4cccc(C#N)c4)CCOCC3)CC2=O)cn1 1131146316 JCUJOHZHINZIAV-GOSISDBHSA-N 437.500 1.576 30 10 IDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1131941556 WNCXWCOCCYQTJH-QGZVFWFLSA-N 438.546 1.649 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1147254188 FFQDKDYZBYJMCX-CQSZACIVSA-N 434.543 1.241 30 10 IDEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1152067748 CUGMUAYWXITDSD-UHFFFAOYSA-N 426.489 1.423 30 10 IDEE Cn1nc(I)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1153859421 QMTIINAVAVDGDS-NXEZZACHSA-N 445.261 1.514 30 10 IDEE Cc1ccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cc1B1OC(C)(C)C(C)(C)O1 1154157784 HVGDGRNVBSOERR-QPHCHLROSA-N 443.378 1.974 30 10 IDEE N#Cc1cn(CCO)c(=O)n(Cc2cccc(OCC(F)(F)F)c2Br)c1=O 1166524608 RKAKPKLAUMNNLT-UHFFFAOYSA-N 448.195 1.626 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1228783854 NIJHXFHRAPTQOK-UHFFFAOYSA-N 446.529 1.910 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c(=O)nc1O 1230347039 ZRVKUCOMLQQTBK-CYBMUJFWSA-N 426.864 1.812 30 10 IDEE C[C@]1(C2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1248375429 LUYYSTWTRKCGLA-XMSQKQJNSA-N 425.489 1.579 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1286297466 BRZUKEPWLPDLMG-WBVHZDCISA-N 425.518 1.267 30 10 IDEE C#CCCCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1286360107 PKZDPNLHHGVPKA-QFIPXVFZSA-N 428.537 1.962 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1286384070 GVLSWIMEADZIOH-GOSISDBHSA-N 429.546 1.370 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2cccn2)c1 1286397521 ATHHDAXWJGEHKB-UHFFFAOYSA-N 427.512 1.880 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1286419983 JFQQJIOQWAXIQZ-GOSISDBHSA-N 448.593 1.144 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C(C)C 1286438316 UPDUDJXIZJFIBX-UHFFFAOYSA-N 431.562 1.970 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1286479823 NXEDJGGPCRKBCD-HBFSDRIKSA-N 428.581 1.826 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCCC[C@H]2C)CC1 1286483202 BKCLWOKLERDNMN-OAQYLSRUSA-N 441.624 1.810 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286507592 KJNLGAYRBGXODD-GOSISDBHSA-N 437.573 1.988 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286613582 BVHRZOXTGGHNMF-FGZHOGPDSA-N 435.569 1.874 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286631932 BJGSKHAEAZRDLB-INIZCTEOSA-N 437.976 1.190 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](COC)C1 1286814822 WTJWDHNZNURSFI-MRXNPFEDSA-N 448.549 1.389 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1S(=O)(=O)NCC#N 1300043826 UUFADBLWYZPBML-JSGCOSHPSA-N 446.451 1.469 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300401731 XYTHLEUVFDOZMU-UHFFFAOYSA-N 441.517 1.394 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1300496026 MXXWKEVCEHETQX-QZTJIDSGSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1300578558 MIZLORQYSKAJKE-LJQANCHMSA-N 425.558 1.979 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1300671159 DDHVDPWHBPAFDR-GOSISDBHSA-N 432.546 1.518 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1300734499 VWWXCPOSGCCPAI-OAHLLOKOSA-N 427.534 1.349 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1301478107 IFCMASTWFIEXJF-UHFFFAOYSA-N 428.541 1.084 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1301956106 DVCUBFUEMBTQLN-YWZLYKJASA-N 433.534 1.750 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1302438313 FJDQOPRYOMLCIH-SFHVURJKSA-N 446.602 1.489 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1302762556 SZLJTJJYOCTSKD-CRAIPNDOSA-N 448.549 1.606 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1303635871 JRGIOHVYUDBNLY-HOTGVXAUSA-N 437.504 1.736 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)C2)nc1 1303898151 FKJJUXDNJXNJJA-HXUWFJFHSA-N 444.495 1.428 30 10 IDEE CO[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315736144 VABKHWBMJZBYKL-REFFOULNSA-N 430.509 1.517 30 10 IDEE CS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316350596 YHCKJYTUHRANQO-UHFFFAOYSA-N 444.542 1.510 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1354359766 AJSHBVPPDVEFKF-KMEDIVRHSA-N 444.517 1.225 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1358945930 AICNUVLCMBVOEA-OAHLLOKOSA-N 440.529 1.229 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358967443 KMXNXYBMRSWCJF-QZTJIDSGSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCC1 1358971287 PDENWHYDDLHPCO-UHFFFAOYSA-N 440.573 1.925 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1358982565 BDTDBPVRZBEGFJ-QGZVFWFLSA-N 445.520 1.493 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnn(C)n1 1359015800 FVSKLHCEOAPLHX-NRFANRHFSA-N 440.483 1.281 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2cnn(C)c2)CC1 1359030946 LEGHEEANTCBMCG-HSZRJFAPSA-N 441.580 1.440 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359100573 DDIKEWKYGRGWJY-CBQOVEMMSA-N 440.548 1.586 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1359105436 OPEKMRSHPDBYRC-ZWKOTPCHSA-N 446.596 1.730 30 10 IDEE C=CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)c1ccccc1 1359193802 JSJFRHFATUODFA-WMZOPIPTSA-N 446.577 1.575 30 10 IDEE Cc1cc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc(C)c1C#N 1447026562 DEWHZYCYZBDHML-UHFFFAOYSA-N 427.482 1.749 30 10 IDEE C=CCOC[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OC 1448497305 RDYWPOLMVFDGIV-CQSZACIVSA-N 434.308 1.224 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)[C@H](C)O)cc1 1453810732 ZWPHTHGBOBYQAD-HRAATJIYSA-N 442.541 1.696 30 10 IDEE CC(=O)N(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1461039996 HNPZZNGVBJTISM-UHFFFAOYSA-N 441.513 1.975 30 10 IDEE COCCNS(=O)(=O)c1cccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 1461953960 OHBIHJMZWSDVFT-UHFFFAOYSA-N 425.470 1.921 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[C@@H]1C(F)(F)F 1470101951 FUQQKKDVWVNWND-RYUDHWBXSA-N 431.419 1.637 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1470597343 MCCHLXQKOWETIM-MRXNPFEDSA-N 427.486 1.020 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 1478285196 UWLBSCCWQZGMGP-UHFFFAOYSA-N 444.579 1.836 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1478678355 TWHSQUDHSOQGRC-SQNIBIBYSA-N 436.553 1.973 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503708978 OLGNJGUBQCYRMV-GALDBLJUSA-N 437.504 1.290 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1cn[nH]c1 1507657362 QATJMOJZNNKELQ-UHFFFAOYSA-N 442.571 1.681 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1507852723 CSVYKFGWCCDGIG-HIFRSBDPSA-N 443.961 1.435 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1508090265 FUOJSLXNVAGADX-QGZVFWFLSA-N 426.521 1.443 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCN(CC)CC2)C1 1508125531 RRXJVPBLMRBIMF-LEWJYISDSA-N 432.613 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1508133624 KZTJLFKJPWNWBT-CABCVRRESA-N 444.579 1.705 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCCCC2)C1 1508143115 DRTQCNJBKGVLBS-FQEVSTJZSA-N 444.605 1.929 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1508809822 CILQBTBAQJVPKV-ZHRRBRCNSA-N 426.521 1.565 30 10 IDEE CC(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1508877008 HOPUJOUFYMLZTJ-HNAYVOBHSA-N 440.545 1.489 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513832882 KTTUIWZDMYTBRW-IEZOBSRMSA-N 430.509 1.140 30 10 IDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1516157749 ZKBIKKJIJSIVKT-WZONZLPQSA-N 427.501 1.896 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccccc2OCC#N)C1 1537807670 WISXORBSLZRKDS-HNNXBMFYSA-N 437.518 1.743 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)n1 1538916658 JTJOBRQZYFZHMT-UHFFFAOYSA-N 447.398 1.538 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCNC(=O)C2CC2)c1 1539043731 UGJKEDJKCZGURB-GOSISDBHSA-N 436.516 1.364 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)CCCOC)CC1 1539441350 MHVVNMYJOINION-UHFFFAOYSA-N 440.548 1.397 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2csc(C)n2)CC1 1539476542 AYSCLQUNDAFNAI-UHFFFAOYSA-N 436.545 1.709 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1539526420 ONKGCMUFVCQAHL-GOSISDBHSA-N 444.605 1.510 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1539526894 WEYYKQVINGVMNM-UHFFFAOYSA-N 429.594 1.811 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539734884 BJTKQXDKHLXRNS-LJQANCHMSA-N 445.520 1.506 30 10 IDEE C=CCN(C(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12)[C@@H]1CCS(=O)(=O)C1 1543486954 ARFWFMXBKCKXCR-OAHLLOKOSA-N 443.481 1.808 30 10 IDEE CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1546761393 UVHACWMWQZYVPO-QBEKEKFNSA-N 437.504 1.406 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1547321759 XLUZEXKKNDUQFM-IEBWSBKVSA-N 437.548 1.880 30 10 IDEE CCN(CC1CCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1547543329 NIHLUEFRWLIFFG-GOSISDBHSA-N 448.549 1.750 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCOCCS(C)(=O)=O 1554150272 JHKAVATYSWWSBB-GOSISDBHSA-N 433.534 1.351 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CCCN1C(=O)OC(C)(C)C 1557712482 BPPIIRAJABFFOA-ZMPRRUGASA-N 437.537 1.876 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCc2c(CC#N)cccc2C1 1565330098 NJVFMXOQDUMNHY-UHFFFAOYSA-N 433.512 1.595 30 10 IDEE COC(=O)c1sc(I)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 1586053989 VFTVYIANMMTAJU-LURJTMIESA-N 431.215 1.802 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)c2C#N)C1 1586959007 YYDMLRWKRUCOLK-HNNXBMFYSA-N 436.493 1.982 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1587856580 NLMJAZFDXGLXIV-IIBYNOLFSA-N 432.521 1.831 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN1CCCS1(=O)=O 1587937727 SWIYQOIJCBJBJF-UHFFFAOYSA-N 444.380 1.874 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588053253 BTDYNDZVWVPRJZ-MSOLQXFVSA-N 445.520 1.238 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2CCCC2)n1 1588723474 NLLMHERAFZLUGW-LJQANCHMSA-N 425.537 1.902 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1594732487 DZQYVZSWQDKDGY-KGLIPLIRSA-N 449.499 1.651 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1594812081 BWOGXQQMWIOYQK-SJLPKXTDSA-N 434.566 1.848 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1594961603 CTTLMDYYHYABJX-QGZVFWFLSA-N 446.577 1.750 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595577470 SXOVEIKBVYSWIP-FQEVSTJZSA-N 449.559 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)OC1CCCC1 1595761117 YAFWNRUIOIVLIW-UHFFFAOYSA-N 434.522 1.837 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595905771 RDRNIMPBLKVFSP-JYJNAYRXSA-N 430.596 1.545 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)CN1CCOCC1 1614028477 FQASHBXTMXTPGO-ZWKOTPCHSA-N 439.568 1.186 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(=O)n1CCO 1614869796 XKWAKFGJJLDBEK-UHFFFAOYSA-N 432.436 1.318 30 10 IDEE CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1617602330 CFCRIAYMYWFIIR-UHFFFAOYSA-N 445.531 1.335 30 10 IDEE N#C[C@]12CN(C(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)C[C@H]1CS(=O)(=O)C2 1618171525 ATYXCDKHUYULRW-VBKZILBWSA-N 437.468 1.214 30 10 IDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)C 1618976451 BLDRIFUJPCNBBX-WOJBJXKFSA-N 426.521 1.829 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCNC(=O)C2CCC2)cc1 1620350512 LHCRMVFPQGOATL-LJQANCHMSA-N 435.532 1.825 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCCCO)cc1 1620351907 IHCNUJBEMGUFCR-QGZVFWFLSA-N 425.493 1.105 30 10 IDEE CCc1c(C(=O)Nc2nc3c(cc2C#N)C[C@@H](C)CC3)cnc2c1c(=O)n(C)c(=O)n2C 1623474666 OMYVSRPBKZAWAU-LBPRGKRZSA-N 432.484 1.838 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1628571862 BWCQVNKIQASSTQ-UNEWFSDZSA-N 431.518 1.274 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 1628751774 DEOUZJPAWQBXOU-DLVCFXQMSA-N 431.489 1.552 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 1634783827 UYKUIDSWXZSZAL-JCNLHEQBSA-N 444.479 1.746 30 10 IDEE C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H](O)CN(C)C(=O)OC(C)(C)C 1638203269 LQYDOEBQEFZNPD-ZJIFWQFVSA-N 440.541 1.726 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1638692483 VQNGKISQMZHENS-YOEHRIQHSA-N 434.541 1.113 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1640924763 UNPLBSABZICSRD-SFHVURJKSA-N 439.553 1.846 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC[C@@H]2CCCC[C@@H]21 1641970556 NBORMIPMMHGUQE-XIRDDKMYSA-N 445.520 1.895 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)C2)nc1 1645085222 LRBICTGIMRZITI-INIZCTEOSA-N 445.501 1.284 30 10 IDEE CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1646133098 PHCCJAAKWRTQMH-IAGOWNOFSA-N 425.489 1.669 30 10 IDEE COc1ccc(N(C)CCN(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 1654114584 LUTWPTAVQAOJOV-UHFFFAOYSA-N 426.521 1.580 30 10 IDEE C=CCCSCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1667039661 HZMDJLBMKDMWHC-HNNXBMFYSA-N 447.604 1.583 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 1668748132 FKFDZIIDTQLEDM-UHFFFAOYSA-N 435.485 1.275 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1)c1ccc(Br)cc1 1683680973 JHEDULZVJNPJGU-MRXNPFEDSA-N 443.367 1.693 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N3Cc4cccc(C#N)c4C3)CC2=O)C1 1687781971 FRRGDONUZLFANR-MRXNPFEDSA-N 425.489 1.804 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1689972323 LMWKXGXAXGUSED-IBGZPJMESA-N 436.516 1.636 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689988217 LEEUUGPSEVNAFT-FXAWDEMLSA-N 432.550 1.120 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1689988474 PUTGYDGVFNISQA-HJWYETAXSA-N 435.575 1.044 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)cc2)CC1 1690120397 TVWRBTSRIPXQBI-UHFFFAOYSA-N 430.516 1.229 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1690526824 DXOOXYJFGZOXIF-YJBOKZPZSA-N 435.550 1.335 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1690621856 BMBABKOHTRZCGC-CYBMUJFWSA-N 442.492 1.595 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690646148 IBHMAFHFPVMWEK-UHFFFAOYSA-N 429.550 1.563 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690671536 YHYDFFSWKYYFDG-KRWDZBQOSA-N 429.525 1.093 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1690675352 YCFYSGIGWZSPKJ-UHFFFAOYSA-N 436.560 1.814 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\CC)C1 1690699556 GRBBYJBXTFHXAL-SEDCNLEPSA-N 425.555 1.359 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690723707 YTHJAIRYGSXZDZ-GOSISDBHSA-N 441.561 1.426 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](COC)C1 1690725419 PINCNCOXZUYKEN-IBGZPJMESA-N 434.562 1.630 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1691003115 CHFRNBQWNULVLX-FUHWJXTLSA-N 426.525 1.463 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1ccccn1 1692537105 RFALEMLBVDCBJK-UHFFFAOYSA-N 445.531 1.647 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)C1 1695960957 WPYHKSANHTYSIY-APWZRJJASA-N 444.561 1.761 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696377676 PHJUDFWETUCXQU-LZICOFPGSA-N 425.493 1.662 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)c1 1697523448 XHMCMEMPWCOJJL-CTNGQTDRSA-N 440.548 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 1705639734 VODDEGXURFEXOF-SFHVURJKSA-N 446.596 1.919 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOCC1 1705677170 DWMPQGCMYAVSGU-JOCHJYFZSA-N 442.589 1.984 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1Cc1ccc(C#N)o1 1706882895 ZBZLSYAVFNSOHY-DYVFJYSZSA-N 444.521 1.476 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C(C)=O)CC1 1708756622 FVIMMOUOCHHWSS-GOSISDBHSA-N 431.541 1.184 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1722350070 KUKPMRIQIHCLAR-LSDHQDQOSA-N 442.483 1.727 30 10 IDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1722452276 CUCAFRFXRSOIPY-OAHLLOKOSA-N 446.964 1.540 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1722485150 MGJUBLIQBQUXCN-CJNGLKHVSA-N 447.355 1.085 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1722492877 FBECXEKFEWMJHD-RBUKOAKNSA-N 430.553 1.554 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722629183 HLXZAFJDIJKQIG-VQTJNVASSA-N 446.596 1.508 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722694191 NNGBZRIPZPKNAE-HXUWFJFHSA-N 449.559 1.668 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722695857 RWJYYVPFJSBTKO-INIZCTEOSA-N 426.912 1.472 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722701412 PCRAITLDBYMDFQ-OAHLLOKOSA-N 428.541 1.361 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1722721642 KIFKZPWNNIPBCG-GOSISDBHSA-N 429.496 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(Cc1ccnn1C)C1CC1 1722726555 GKFQTEQDSHNJAR-MRXNPFEDSA-N 434.566 1.675 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1724549874 GSUMHMATOWYKIX-RBUKOAKNSA-N 445.545 1.862 30 10 IDEE Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726392848 AHIAKMOJPUDZTA-BQASMSSTSA-N 445.524 1.606 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccc(OC)c1 1740563252 RTUXSUZJKZZWRZ-KPFFTGBYSA-N 441.532 1.899 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1740586779 MZPRTLKCVGXXEY-GOSISDBHSA-N 435.536 1.491 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NCC)c1 1740629282 IEYKTJFYOGELRA-UHFFFAOYSA-N 441.495 1.796 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1740635996 TXKHDRBYNWWXIR-KRWDZBQOSA-N 442.541 1.860 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(C)CN(C)C2=O)CC1 1740700703 ZNDGZLPUJBSVLU-DEOSSOPVSA-N 436.560 1.653 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740786384 BKOQLUVQJKKWIS-OALUTQOASA-N 432.569 1.264 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1740822607 MOPROBBAYJDIRB-AWEZNQCLSA-N 442.948 1.911 30 10 IDEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740882325 HSKMWNBPCBNDBT-UHFFFAOYSA-N 435.550 1.628 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740885261 CAJJDIZFJXMMQC-KRWDZBQOSA-N 444.561 1.846 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1nccs1 1740953613 MBQGMCCGYUGZIP-UHFFFAOYSA-N 446.558 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1740994678 UXURSLASVJBTBB-INIZCTEOSA-N 431.518 1.555 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cccc(O)c2)CC1 1740994968 XBASNBZGFYVMMT-UHFFFAOYSA-N 431.562 1.864 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1748808258 JALKZSJSLFXQOD-SFHVURJKSA-N 429.546 1.735 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1748809634 PDUWVMPYXFHHOU-MRXNPFEDSA-N 432.502 1.337 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)F)CC1 1748999421 URPGKFIJABRBCO-UHFFFAOYSA-N 436.438 1.133 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749272157 KXDJSRLXIPMFTF-UHFFFAOYSA-N 431.928 1.190 30 10 IDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1749493834 LIYWASVSJIIVHA-HXUWFJFHSA-N 426.521 1.577 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)n1 1749556858 BFFXJOSWEXIIAP-UHFFFAOYSA-N 437.548 1.972 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1749612786 GNSCEIZBLKZTJX-VGOFRKELSA-N 442.520 1.218 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCN2CCSCC2)cc1 1750382430 FVAYRNUCQGIAMQ-GOSISDBHSA-N 439.589 1.957 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H](C)O1 1752387747 KGMGOSGRQRRRRL-PEOGOYOCSA-N 427.505 1.882 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1760098954 XXUVHTKCBBRQII-CVEARBPZSA-N 427.534 1.580 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N1CCOCC1 1760104743 FGSDHOSKMFFSAX-INIZCTEOSA-N 427.505 1.669 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ncnn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760183839 UKKQBEFLQORIMH-GOSISDBHSA-N 439.545 1.657 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1nc(C)no1 1760201807 JRINUTCUGHXBTN-UHFFFAOYSA-N 428.456 1.991 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1760240898 HJFFZTNUNLXQEX-KRWDZBQOSA-N 433.509 1.443 30 10 IDEE C=CCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760513094 JXOBCUDRIZRIGK-YWZLYKJASA-N 430.513 1.037 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CCS(=O)(=O)CC2)C1 1760541256 YESFMRPACLAQMT-SFHVURJKSA-N 446.573 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)CCC)CC1 1760552315 KBTIAKUSBQVWMO-UHFFFAOYSA-N 434.566 1.759 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1761371200 QWRRKEWRHJBNTN-RHSMWYFYSA-N 439.520 1.344 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762848122 DINBAGKNAAHLKX-UHHPSXQGSA-N 429.525 1.569 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)c1ccccc1 1763016383 ANBWKKTXESKYAC-UHFFFAOYSA-N 438.513 1.849 30 10 IDEE CCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1763713307 LUSCYDCRGGXKBV-NRFANRHFSA-N 427.509 1.502 30 10 IDEE CCN1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1767123420 PCXKVCPCLKNQSF-YGCDDZCOSA-N 436.520 1.397 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1768215455 VZFWNTHMTRYIMH-AYOQOUSVSA-N 447.561 1.616 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1770980759 DVYMKJXHLILXDA-LEWJYISDSA-N 430.509 1.923 30 10 IDEE COCC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770983274 BBPGUSXSYKALOD-HSZRJFAPSA-N 449.515 1.586 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)CCO1 1771538014 YVBJBGOOHUFZHO-MSOLQXFVSA-N 431.518 1.126 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1772793334 XKCWGLQDAAPCSO-CQSZACIVSA-N 430.438 1.512 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)CCO1 1851076837 SLKMSJVUAFFHCU-IEBWSBKVSA-N 433.917 1.981 30 10 IDEE Cc1ccccc1N1C[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC1=O 1851208027 JYBRSQNBVCSVAD-HXUWFJFHSA-N 433.512 1.980 30 10 IDEE CC(C)(C)[C@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1852942385 DGKQGTDESUORRD-IBGZPJMESA-N 448.589 1.716 30 10 IDEE COc1ccccc1-n1nnc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1C 1853043949 RHNGEXZPRYOLHV-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)[C@@H]1C 1854314323 XMSAOEMQOKKZQM-HNNXBMFYSA-N 439.965 1.986 30 10 IDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CCC2=O)ccn1 1855716132 XZFLUIBFIBVGGY-MRXNPFEDSA-N 430.530 1.233 30 10 IDEE C[C@@H]1C(=O)N(C(=O)C2CC3(CCOCC3)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855739950 JUMFWSZCCDTPIR-OAHLLOKOSA-N 431.514 1.513 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(Cl)c1 1856263636 JQWLTWHELHINSF-ZDUSSCGKSA-N 432.889 1.810 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3ccc(F)cc3F)C(=O)O2)CC1 1856653140 NFLKPJIUSXVRIK-INIZCTEOSA-N 427.429 1.420 30 10 IDEE COC(=O)N1CCC[C@@H](C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)C1 1891157855 QTSHHPQUXQIZKQ-OAQYLSRUSA-N 448.608 1.502 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C1 2054377680 CEKWOCSLLQUVQC-RYUDHWBXSA-N 438.344 1.035 30 10 IDEE COC(=O)[C@H](CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)NC(=O)OC(C)(C)C 2060637028 FYOYKCBYNIVHCI-KNCOVGOOSA-N 438.330 1.993 30 10 IDEE C=C(CNC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)B1OC(C)(C)C(C)(C)O1 2077062055 QHGRNLVZCQOOAD-HNNXBMFYSA-N 437.346 1.758 30 10 IDEE Cc1cc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247831721 CQCYFDVYTAECSA-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248443640 POZIHCZZZOPLPY-CYBMUJFWSA-N 440.371 1.797 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255695402 DNJVPDXVRKILMR-DZGCQCFKSA-N 432.330 1.761 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825874 HAZGUGQNMLGKEQ-GZBFAFLISA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256624592 NURDLAKARCQEGS-LSDHHAIUSA-N 433.314 1.690 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2267188054 HAXIIIGGJPQXOO-QHCPKHFHSA-N 440.353 1.086 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334270250 RFUJCEFKTVTYCF-FMKPAKJESA-N 446.357 1.765 30 10 IDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C(=O)OCC)n1 22628983 ITYXHOORFPLWEE-UHFFFAOYSA-N 430.486 1.522 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 108625465 LMBGAQUPZNXERB-LJQANCHMSA-N 427.549 1.685 30 10 IDEE N#CCC(=O)NCC1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 219542665 IVVYVWOJBAKLAO-UHFFFAOYSA-N 447.289 1.314 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc21 426919017 QEQQOZHYAFOUOB-UHFFFAOYSA-N 433.443 1.837 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 429465167 KJOHSXMDCGEOQA-MUKKUYKPSA-N 439.495 1.706 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)C1=O 431159724 QLWIHTPWLWVKMN-UHFFFAOYSA-N 435.440 1.269 30 10 IDEE Cc1nn(C)c(N2CCN(CC(=O)N3CCN([C@@H](C)c4ccccc4)CC3)CC2)c1C#N 472160134 SXPMVGPIGNIDCD-FQEVSTJZSA-N 435.576 1.628 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)cc1 476220454 NHZBQNHGTNJIIU-OAQYLSRUSA-N 425.533 1.555 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cn1C 482573223 HBZOXFGCULZVSL-UHFFFAOYSA-N 444.561 1.072 30 10 IDEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)CC#N)CC1)C2=O 503644171 PQCWNCSJZMXAKD-UHFFFAOYSA-N 431.537 1.488 30 10 IDEE CO[C@H](C)c1noc(CN2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 513786232 CAKFAZKZVGRRTB-MRXNPFEDSA-N 433.534 1.630 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1C[C@@H]1CCCO1 514921308 IWEMQWUYRUXSHU-SFHVURJKSA-N 425.554 1.680 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COCCO3)n2CCc2ccccc2)CC1 516744766 HGAMCFVBUYSPDE-FQEVSTJZSA-N 440.548 1.033 30 10 IDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)c2ccc(C3(C#N)CC3)cc2)C1=O 539674331 WQLQFVULRHQLDD-UHFFFAOYSA-N 431.452 1.987 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(OC)ncn2)CC1 549292729 VMKFXZKQYNAHBY-UHFFFAOYSA-N 435.492 1.627 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccc([N+](=O)[O-])s2)C1 585828414 TZINLOBDXRRKCC-UTDDRVLSSA-N 442.497 1.905 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccccc1C 603799355 MEWMMGSWIJWGTI-UHFFFAOYSA-N 449.532 1.482 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 670195530 AAVKFBFKJGTHMC-QZTJIDSGSA-N 438.598 1.252 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCN3CCOC3=O)nnc12 728277684 UOZJQSQXZLFSOX-UHFFFAOYSA-N 442.501 1.281 30 10 IDEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732441032 DXAOSIJPCZCYET-MKSIGINJSA-N 427.505 1.194 30 10 IDEE N#C[C@H]1CN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CCN1C1CC1 732664316 HAORHMNZKUKIPG-FQEVSTJZSA-N 431.562 1.617 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3)c2=O)cn1 743725739 YJYVNIMAQLEOKP-UHFFFAOYSA-N 434.521 1.614 30 10 IDEE C[C@@H](C(=O)OCC(=O)NCc1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 752615768 PULSXKYBIZHILQ-OAHLLOKOSA-N 429.498 1.772 30 10 IDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 757385600 GDOJTINLOAYORY-VTEUUUEMSA-N 432.502 1.251 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768664699 KMDPDZKKKVYCRU-ZETCQYMHSA-N 446.304 1.470 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)CC1 769637768 SZNHALHNSVQNAE-UHFFFAOYSA-N 439.603 1.603 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)c1cc[nH]n1 772595352 CRJMGKXPPPKTMG-ZIAGYGMSSA-N 437.497 1.598 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782606352 XHHVMOSHMRAKKZ-UHFFFAOYSA-N 426.299 1.730 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)s1 788093574 BCKCAXLEMRFQRK-UHFFFAOYSA-N 446.514 1.959 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)n1 788693945 IWBSUKLQBFQSKU-UHFFFAOYSA-N 430.530 1.653 30 10 IDEE C[C@@H](C(=O)OCC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O)n1cnc(C#N)n1 798741789 WNTHPLRAKKPPGH-ZDUSSCGKSA-N 429.392 1.937 30 10 IDEE CCOC(=O)c1c(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)noc1C 811137210 SBXUXWLXGXBWEU-LLVKDONJSA-N 435.458 1.720 30 10 IDEE Cn1cc(CC(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)c(Cl)n1 816087535 CAWKPIGREDBRIN-UHFFFAOYSA-N 435.662 1.894 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 858082769 JOCLCUVDBGIFIJ-SFHVURJKSA-N 426.498 1.789 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 896890765 WCTOSYBTAXQHEL-KXBFYZLASA-N 449.463 1.837 30 10 IDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 916775070 JSZHZXXXVBDCAN-SPLOXXLWSA-N 446.529 1.641 30 10 IDEE CN(CCC(=O)Nc1cccc(C#N)c1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921191723 DWZOQUFJMAUYMD-UHFFFAOYSA-N 429.521 1.898 30 10 IDEE CC1(C)O[C@H]2C[C@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@H]2O1 1134335416 HEEZXGPWIDMNEC-LUPIEILUSA-N 433.530 1.758 30 10 IDEE COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1137089249 KGLMBUQMYFTOIM-CQSZACIVSA-N 444.879 1.162 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)c1 1141269455 HUNWJJILABMCHR-UHFFFAOYSA-N 437.499 1.231 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1cccc(I)c1N 1142585625 AFAQULXPCSXHKG-UHFFFAOYSA-N 428.274 1.561 30 10 IDEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)c1ccccc1 1163097008 OHCQJYHXDNNWKV-RBUKOAKNSA-N 428.510 1.719 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c2cccnc2)c1 1171208980 NSUQGSAEMPDBPV-RTBURBONSA-N 430.482 1.274 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCn2nc(C(F)(F)F)cc2C1 1179688303 QEGPCSHHLZOKJV-NSHDSACASA-N 427.408 1.483 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@H](c2nccc(O)n2)CC1 1180222178 QGGZXWFRCDPVBA-HDJSIYSDSA-N 429.502 1.453 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1286454674 ZURHFWPKIRBHPG-IAGOWNOFSA-N 444.561 1.401 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1286480277 UTKJGJXLCPOQAD-VQTJNVASSA-N 427.597 1.495 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1286495996 KPBIJXUWTDFLAM-AEFFLSMTSA-N 449.602 1.833 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286508656 OPEHHWYPJVWBHY-QGZVFWFLSA-N 425.624 1.705 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286645455 CPBRZVIXJGQMAI-RBUKOAKNSA-N 437.610 1.693 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286689901 GJYCCHFKDKQDHR-GOSISDBHSA-N 445.612 1.952 30 10 IDEE C=CCCOCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1286713939 ILUWMILIQFHRLR-NYVOZVTQSA-N 436.553 1.907 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C)n2)C1 1286800188 HPKFRZXTJHAEMK-WMZOPIPTSA-N 434.566 1.616 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](F)COC)C1 1286807470 CBHLRFOMFKZSAW-CVEARBPZSA-N 442.495 1.958 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N(CCC#N)CC1CC1 1291323180 HRLRWUMJSKQNAB-QVKFZJNVSA-N 444.561 1.940 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1296605347 HWVRENPGRRSWLR-LEWJYISDSA-N 436.532 1.483 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1297749209 ITWXHXLCJGPUBO-HNNXBMFYSA-N 448.549 1.593 30 10 IDEE CCCN1C[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1299563617 MQXNTSMWZHKNOC-INIZCTEOSA-N 434.562 1.660 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc([C@@H]2CCCO2)n[nH]1 1300004191 DRENZGBOPAAABU-HNNXBMFYSA-N 446.533 1.572 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](C)C1 1300579559 WZXWQJUBKORBQJ-QRVBRYPASA-N 433.578 1.510 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCS(C)(=O)=O)CC1 1300689156 QNNMGCLGPUKGSA-UHFFFAOYSA-N 427.530 1.881 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2nc(C(C)(C)C)cs2)CC1 1300706558 PSUGFGBOYCZXGP-UHFFFAOYSA-N 441.605 1.958 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300879540 DUQNFEGHIDCAFZ-NJAFHUGGSA-N 449.581 1.178 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1301297249 OGDWVCNGPDYFQL-MRXNPFEDSA-N 432.550 1.082 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301577530 PRVPLYHKBYCUPR-NVXWUHKLSA-N 449.964 1.914 30 10 IDEE CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1303454934 VAOIENKJSDLVFQ-MOPGFXCFSA-N 435.532 1.669 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1305249168 IAKBEDUWQABMLI-ZHRRBRCNSA-N 425.537 1.709 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(C(=O)OCC)CCCOC2)cc1 1310131466 MRUIIXFSYSOFOT-HXUWFJFHSA-N 439.534 1.975 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)CC1 1312657241 UHSWHQOOYYLVEX-UHFFFAOYSA-N 442.925 1.415 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOC2=O)CCO1 1316540949 PKLLQMZJZFUCPW-CQSZACIVSA-N 432.431 1.718 30 10 IDEE C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCCCC2 1321818198 KXYGFRURJIOORQ-WMLDXEAASA-N 435.488 1.959 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1358874901 GBXLAVWVTNHLLO-XGHQBKJUSA-N 441.523 1.744 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1358893319 RWZFGDXCTVZSKX-MRXNPFEDSA-N 434.591 1.100 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358959054 AUBVEGSMEDJFEC-HTAPYJJXSA-N 446.573 1.987 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccco1 1358971951 OJRUXTWGJNKFJS-QFIPXVFZSA-N 438.509 1.922 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnn(-c2ccccc2)c1 1359023833 XZIGDMRDBHHMLB-FQEVSTJZSA-N 433.516 1.744 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)CC1 1359033998 YTPWMBUTYZIMJI-UHFFFAOYSA-N 441.337 1.755 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@H]1CC 1359082589 NHAVQEOBNXXXIW-GFCCVEGCSA-N 437.298 1.629 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359208554 OQBWHQVXDDTWRC-KGLIPLIRSA-N 438.520 1.927 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1359270270 JFAFQDMLQVGBKM-HSZRJFAPSA-N 435.532 1.437 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359294408 SMLWXQIEVFDMCX-DLBZAZTESA-N 439.476 1.403 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 1359297278 LGFUCLHFUFLFFJ-UHFFFAOYSA-N 426.521 1.561 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1359321234 CEGDCSLQYNAQQT-IRXDYDNUSA-N 449.552 1.857 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1359335410 KXXLVEDSVHJXCR-FQEVSTJZSA-N 441.598 1.061 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1435160511 SXUWZXKFGAEBFW-OAHLLOKOSA-N 434.497 1.268 30 10 IDEE C[C@H](CC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1454054034 QFEVELKVAZSZKK-MEBBXXQBSA-N 441.431 1.771 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1454708118 CJJMGUJTVCUDCB-CQSZACIVSA-N 430.910 1.940 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccn2)CC1 1454750729 DTXDNFWAGNLLFO-LJQANCHMSA-N 440.548 1.951 30 10 IDEE C#CCN(C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)[C@H]1CCS(=O)(=O)C1 1459746028 XNNPBVXJKVVNGX-ROUUACIJSA-N 444.475 1.289 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 1461386136 KVXGYPDIBQUBCP-MRXNPFEDSA-N 426.469 1.879 30 10 IDEE CC(C)(C)OC(=O)C1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1472581730 GUNNOFYHNNKCOT-UHFFFAOYSA-N 437.518 1.091 30 10 IDEE Cc1nccnc1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1492715791 LMEBRPHEBADZIW-DYESRHJHSA-N 427.509 1.389 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1497464946 DDWHMKSYFBVXAB-QGZVFWFLSA-N 426.521 1.982 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1504994087 IXENRKTUCPKSRQ-WMZOPIPTSA-N 447.584 1.483 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1505314506 FHLCHQRBDHESHS-YLJYHZDGSA-N 448.524 1.940 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1507538234 LCIQWOZUPJTNLG-WMZOPIPTSA-N 432.550 1.015 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1507646176 QRPLFXFMMRRLFW-XDOYNYLZSA-N 444.451 1.273 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1507711493 VPRALMVOYRXQKW-HXUWFJFHSA-N 431.581 1.903 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)N2CCOCC2)CC1 1507724399 OLKRPGWEHFKTMO-UHFFFAOYSA-N 440.523 1.012 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507782536 JHBRPEQQIRAYPK-GOSISDBHSA-N 434.342 1.945 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507791529 MWSUYNABIXYVCV-OTWHNJEPSA-N 432.569 1.702 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1507942828 FMJFXDPKNCDHRG-GGXPGOJBSA-N 427.571 1.627 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1507983666 RCNOMKNDJDNEBI-AWEZNQCLSA-N 427.477 1.890 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCCc3c2cnn3C)nnc1[C@@]1(OCC)CCOC1 1508092218 ALMFBXMEDUCAOD-HTAPYJJXSA-N 443.552 1.480 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C)c(C)s2)C1 1508114174 JVVGKNBITHPHQE-ZFWWWQNUSA-N 440.595 1.791 30 10 IDEE Cc1ccc(C(=O)NCCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1510701144 FGPFCZCWCHLHKL-FQEVSTJZSA-N 431.500 1.731 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1OC 1519500062 BKQFIUPRLDFIFV-SVMVAKDDSA-N 440.504 1.057 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1519508952 HXXWWMGIQIQVHQ-GOSISDBHSA-N 445.545 1.636 30 10 IDEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 1526038643 BLGAVCVEHJDZEJ-UHFFFAOYSA-N 428.510 1.958 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1539155203 UVKVTYORIQCZSB-JOCHJYFZSA-N 429.496 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC(=C)C)CC1 1539466959 KGZZZQIPFHRSOM-UHFFFAOYSA-N 428.537 1.073 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1539669702 SKRPUMOEWXIPFP-INIZCTEOSA-N 430.596 1.407 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540035398 BMCBMNBJHFQENT-FQEVSTJZSA-N 429.569 1.821 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CCC(N)=O)CC1 1540865061 ULLMMTHEWVVIJJ-UHFFFAOYSA-N 426.521 1.738 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1540876601 WHLJLINFBVXXDB-PGRDOPGGSA-N 443.552 1.579 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCOCC2)C1 1540881917 WVWIXOVTCSEHRT-MOPGFXCFSA-N 432.569 1.264 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1541043627 FRMVYZOFGAMBIV-LJQANCHMSA-N 435.532 1.836 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1541888769 JZZHWOXYQNMLKL-CYBMUJFWSA-N 427.477 1.968 30 10 IDEE C[C@@H]1CSCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1545133377 KCENNDADAZIXPO-FZFLATATSA-N 439.545 1.732 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1555345917 DNIIFUWAXKXVHZ-QGZVFWFLSA-N 434.504 1.833 30 10 IDEE COC[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555372495 BWFORLAQZVGWQC-UNEBPCJRSA-N 437.504 1.263 30 10 IDEE C[C@@H](CC(=O)N(C)CC(=O)NCCC1=CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1558509853 JASCVBVQKIKCQY-INIZCTEOSA-N 446.573 1.969 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1587909784 SYAWPVLZHRGEFB-MRXNPFEDSA-N 427.534 1.251 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)CC4(C#N)CCOCC4)C3)[C@@H]2C1 1588148787 URPCKFDQWHNPSK-BBWFWOEESA-N 448.520 1.738 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOC2=O)cc1 1588560434 QEXNGTKDAGJPSD-UHFFFAOYSA-N 440.504 1.507 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC1 1588629173 ZYZCWNWHFJFSCS-UHFFFAOYSA-N 436.516 1.676 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCOCC2)CC1 1588929476 AQHMLLQOXUPANJ-FQEVSTJZSA-N 444.580 1.208 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1593729872 PVLSPRZDRGRCAB-GOSISDBHSA-N 441.580 1.665 30 10 IDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1594839228 GSFRTFNVVBYTOV-UHFFFAOYSA-N 426.568 1.387 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1Cc1cccs1 1595551823 WCBCXKHGOCPTEZ-HOTGVXAUSA-N 449.602 1.755 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595556682 YYGNEBMERZFJEB-CXAGYDPISA-N 430.459 1.164 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1596823280 RYCGSWQTXPSLOD-LVCYWYKZSA-N 434.610 1.976 30 10 IDEE Cc1nc(=NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n(-c2ccc(F)cc2C)[nH]1 1598093319 DROQPXWFLDYDCJ-UHFFFAOYSA-N 442.476 1.512 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1611307749 GEYHOQLOIUHCQW-YLJYHZDGSA-N 442.589 1.977 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@H]([C@@H]4COC(C)(C)O4)C3)ccc2c1=O 1611638513 CCVDUHJOROQVKB-IRXDYDNUSA-N 431.514 1.864 30 10 IDEE COC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619599625 HYWSEKUQZHAZFO-GOSISDBHSA-N 434.504 1.595 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1)c1cc[nH]n1 1623785935 QEHKONGRNIEYGZ-CYBMUJFWSA-N 436.490 1.365 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1624534722 XLRLSLCAUAKIPD-SFHVURJKSA-N 442.541 1.051 30 10 IDEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@@H](C(N)=O)c1cccc(Br)c1 1632917414 SVWBQKURFQTALS-BJYOTHFNSA-N 435.278 1.350 30 10 IDEE Cc1ccc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)cc1S(=O)(=O)NCC#N 1635775998 XXVFZFSSHCVHDV-UHFFFAOYSA-N 426.498 1.701 30 10 IDEE COc1cc(C(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc(OC)c1OC 1636714146 PBSSFAILSSZQNC-UHFFFAOYSA-N 430.486 1.542 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)nc2C1 1639179276 UBJXLGCERXYBFA-BTYIYWSLSA-N 446.529 1.385 30 10 IDEE C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1S(C)(=O)=O 1641449850 LBLBDAVWBJXXOF-GFCCVEGCSA-N 441.351 1.249 30 10 IDEE Cc1ccc(C)c(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1645992039 XRAFSPJEKXFTRQ-OXJNMPFZSA-N 430.555 1.978 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)ccc1Br 1653467029 DBWBMPKWKDBDIE-CQSZACIVSA-N 430.349 1.911 30 10 IDEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)[C@H](C)COC 1667138691 ZEUFQLJDYNJPMP-OAHLLOKOSA-N 427.523 1.771 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1672601525 RALNNFZAZQYPME-UHFFFAOYSA-N 439.534 1.651 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)NC(C)C 1689835258 JFXIHWGFPONOJU-OAHLLOKOSA-N 435.550 1.748 30 10 IDEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689879612 BMJYTNLEJYTPDU-UHFFFAOYSA-N 438.532 1.921 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1689998132 CITKHYSYIFHIOG-QZTJIDSGSA-N 444.561 1.266 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1690020133 ZHMHCRKUWYOHNO-INIZCTEOSA-N 433.559 1.102 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1690040550 GKZVTMLSCNGVKU-UHFFFAOYSA-N 443.529 1.071 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1690072645 OSNCXUMGSPKMGP-UHFFFAOYSA-N 442.483 1.194 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCO2 1690092399 GYRAHRBIMFCMIB-UHFFFAOYSA-N 448.483 1.831 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1690097606 KSFPTJKACQALAY-UHFFFAOYSA-N 433.534 1.075 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690119821 TWTZMWFXJDXZEJ-IBGZPJMESA-N 448.493 1.963 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2c(C)cccc2C)CC1 1690122106 GLSLUMMXILOTLJ-GOSISDBHSA-N 435.532 1.240 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2ncc(C)s2)CC1 1690130818 NFJWCURXXSHNGK-INIZCTEOSA-N 427.578 1.724 30 10 IDEE CC[C@H](C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1693970058 WYHMYGWAXNXOQM-DOPJRALCSA-N 439.520 1.825 30 10 IDEE CCc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)no1 1694580192 FTMKKRAVPIONLI-LBPRGKRZSA-N 447.297 1.953 30 10 IDEE CCc1nnc(N2CCN(C3CCC3)C[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694741707 WOIXWOPZCURIEV-FVGNFYTDSA-N 427.553 1.678 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1696675853 ANCCLWPMINHGOS-SFHVURJKSA-N 444.561 1.919 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1 1696829722 OUVLRCFEGCGPCG-UHFFFAOYSA-N 446.558 1.824 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1705570602 RSECGTNXVWDTHM-MRXNPFEDSA-N 435.575 1.035 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705580508 LDXLWZSJSFWUGZ-HKUYNNGSSA-N 439.545 1.012 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCOC2)n1 1705631655 LSGATANIUVHATM-SIKLNZKXSA-N 444.536 1.154 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCc2cnn(C)n2)CC1 1705649016 HFVQDIPGDXBTCD-UHFFFAOYSA-N 433.520 1.067 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705660876 JYOOIWMDRCKYPD-LJQANCHMSA-N 432.638 1.976 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705879991 QTDSBVOLVIEDKR-JXFKEZNVSA-N 436.534 1.160 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705949737 HOFUUPMXBUYOHX-FTRWYGJKSA-N 437.566 1.952 30 10 IDEE CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706436270 CDBYIWWHWOOIRY-JTDSAVPOSA-N 441.536 1.628 30 10 IDEE COc1ccc(OC)c(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1711870219 DKSZLSJLWQPXAU-KRWDZBQOSA-N 426.477 1.308 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1712615887 NSHFROIOTRNAAZ-OAQYLSRUSA-N 426.477 1.511 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C(=O)N3CCCC3)n1CCCCCCO)C2 1712879349 XBAPFYPDTRRSOD-UHFFFAOYSA-N 439.520 1.602 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N1CCSCC1 1722287603 QWUAFNMBJMWFOB-INIZCTEOSA-N 449.602 1.790 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1722368187 PJXZCXQHZFMWAW-OXQOHEQNSA-N 426.583 1.281 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1722543895 NLRIOCYGUCQULT-UHFFFAOYSA-N 425.884 1.795 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722630924 XVJZQXSUSITLGR-LJQANCHMSA-N 433.553 1.798 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722693426 NELFXIQSCJHJBT-IBGZPJMESA-N 437.504 1.567 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCN(CC)CC2)C1 1722722312 ZTFVEWWUBKQTCN-UXHICEINSA-N 445.612 1.208 30 10 IDEE CC(C)OCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1723715228 HVYMOZIPONULGN-HOTGVXAUSA-N 428.559 1.164 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOc1ccccc1 1723935141 MHNYLTFPNZWDLX-HNAYVOBHSA-N 436.513 1.799 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1729219113 IMJCTSCAPNYHML-FQEVSTJZSA-N 431.566 1.723 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CC1 1731185375 AGCXJOCPLWTCEG-KRWDZBQOSA-N 434.566 1.323 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1740615834 MAJPRIBCNCJUNR-MRXNPFEDSA-N 439.582 1.248 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740622299 BNDOGBQSYZLYPH-SLQAJWMNSA-N 446.598 1.709 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740623845 BRQYTBNDKAKWAE-NRFANRHFSA-N 441.601 1.989 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1740625772 PKCNUYNJDNQMPE-MOPGFXCFSA-N 431.562 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ncn(C)n2)CC1 1740704406 OXPSRBFXQJRVTF-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)COC)CC1 1740755655 BSGHTXTYCQZXSY-UZLBHIALSA-N 441.536 1.448 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1740940362 CNGMOLQZCCGIGU-SFHVURJKSA-N 436.520 1.805 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1740959794 FDRKWGODJDWJAQ-GOEBONIOSA-N 443.504 1.155 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)N(C)C)C1 1740977203 SFGSDGQALTWISI-SJORKVTESA-N 447.609 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1740993304 WWLCWOLUQHJMDH-UHFFFAOYSA-N 428.562 1.635 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1741002711 LKAKIOWWCCMCOY-TVXGVJEUSA-N 426.608 1.697 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1741295207 BCPAADBYNNVAKD-SFHVURJKSA-N 444.561 1.460 30 10 IDEE CC1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1743189981 CYFVUXYWZCTJIF-UHFFFAOYSA-N 437.548 1.787 30 10 IDEE CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1743992176 BYTUUXZWTHZQCW-UHOSZYNNSA-N 431.585 1.962 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1748725274 YFDCGCVWSKAIDC-UHFFFAOYSA-N 432.532 1.797 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)N(C)C)CCCC1 1748779405 IVJICFAMPCOUQK-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1748840651 FFCLMQMQQUWFPK-UHFFFAOYSA-N 426.484 1.663 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1749054966 BPEOQOAWYVXHCL-TZIWHRDSSA-N 436.578 1.890 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760155365 WMDUUYQZSQCYPB-GOSISDBHSA-N 443.577 1.327 30 10 IDEE C#CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760159499 IKOOAFBOQNISSI-QGZVFWFLSA-N 438.557 1.439 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1760243151 WELFBPHWUOLAPV-UHFFFAOYSA-N 442.495 1.169 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1760281807 XNXHXDYTTLZAIB-MRXNPFEDSA-N 431.591 1.374 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1 1760315834 JJMYQWRISSLCHZ-ZACQAIPSSA-N 428.555 1.218 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1760337004 LPWZZKNMIOHJEQ-KRWDZBQOSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(F)(F)C1 1760523104 MHRBKLMZLYQMRO-UHFFFAOYSA-N 439.492 1.386 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1760553472 DDKRVIUVUVFZQM-AWEZNQCLSA-N 444.517 1.420 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1760680707 PMHLFQIWBKRWTE-SFHVURJKSA-N 441.511 1.646 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760755099 MXRLEVSNWVATSH-CVTQAYBASA-N 443.552 1.485 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760864794 AANIWRXRXDAKSK-PGRDOPGGSA-N 425.537 1.782 30 10 IDEE COc1ccc(COCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1770244679 XQWOISDBBVOGGF-LJQANCHMSA-N 442.520 1.761 30 10 IDEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)N3CCO[C@@H](C#N)C3)c2C)C1 1848513926 IZBWFPQRSDLRKR-GJZGRUSLSA-N 427.427 1.833 30 10 IDEE N#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1850804325 ICNUABCQHJIQRQ-QGZVFWFLSA-N 444.479 1.916 30 10 IDEE CN1CCN(C(=O)c2ccccc2C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CC1 1851631649 DUWMORRCWFSIMB-UHFFFAOYSA-N 446.451 1.558 30 10 IDEE C=CCN1C[C@H](C(=O)N(Cc2ccccc2)c2nnc(-n3nc(C)cc3C)nn2)CC1=O 1851995180 KXSJFSOTOPSXNY-GOSISDBHSA-N 432.488 1.637 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(c3ccc4nncn4n3)CC2)c2ccccc21 1852145198 OOCYMAVBNOBLNP-UHFFFAOYSA-N 446.515 1.860 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)Nc2c3c(nn2CCC#N)CCC3)CC1 1852345749 ZZMYGBNRUZSEGQ-UHFFFAOYSA-N 434.500 1.842 30 10 IDEE CN1CCC(N2C[C@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)CC1 1852496585 CVUPSESDYXBRDR-GFCCVEGCSA-N 438.472 1.190 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc3O2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644701 LPIVLFJERSPDEJ-LIRRHRJNSA-N 425.466 1.310 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCCO3)C2)CC1 1855451730 JBFHRDRKYUOUFP-ROUUACIJSA-N 431.514 1.513 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C(=O)O2)CC1 1856653602 YJVJSZYOPANSBX-INIZCTEOSA-N 425.894 1.795 30 10 IDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)CC1 1857223676 NIHYJRPGYLCGGX-QGZVFWFLSA-N 435.521 1.990 30 10 IDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593049 CKWGMHDHHHTBSZ-UHFFFAOYSA-N 428.537 1.642 30 10 IDEE N#Cc1cccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c1 1891323397 JUZYKYXCNAZIDP-UHFFFAOYSA-N 446.496 1.593 30 10 IDEE COc1cc(N2C[C@@H](CNS(=O)(=O)c3ccc(C#N)cc3)OC2=O)cc(OC)c1OC 1891576856 GZJQFPDJYMJVIS-OAHLLOKOSA-N 447.469 1.888 30 10 IDEE COc1ccc(Br)cc1S(=O)(=O)N(C)C1CN(c2nccnc2C#N)C1 1891583027 OBDQPZODNMHFNQ-UHFFFAOYSA-N 438.307 1.629 30 10 IDEE CCN[C@@H](C#N)Cn1c(C)nc(I)c1I 1928099359 WOHSLHJEUBTUQM-ZETCQYMHSA-N 430.031 1.902 30 10 IDEE C#CCn1ncc(N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2106012283 YXPFFBDJGSRTOE-DGCLKSJQSA-N 427.299 1.733 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2218629883 DGNLECZMZYSTBD-VYDXJSESSA-N 438.330 1.010 30 10 IDEE C=C(CS(=O)(=O)N(OC)C1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243415787 BNLIRTTZFYPCTI-UHFFFAOYSA-N 432.348 1.987 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2255635290 XRZSLYUNKHOLCX-HDJSIYSDSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2255695453 FAZWWRBSKCZZQM-UHFFFAOYSA-N 432.330 1.859 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267119392 VSJJHJWFSUWNLM-AEFFLSMTSA-N 439.369 1.897 30 10 IDEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271396272 VYIWFPLIERLFDK-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCCN1CCN(C(C)=O)CC1 2297732953 IXPPUWSRRNABJW-UHFFFAOYSA-N 428.493 1.609 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535077 WPWBPMVTUIYXSJ-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CCOc1cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc([N+](=O)[O-])c1OCC 2323026674 VZCMHNSBJAAVPC-UHFFFAOYSA-N 437.434 1.532 30 10 IDEE C=CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(F)(F)F 9539860 NMJWCRDHPKMZIS-LBPRGKRZSA-N 440.465 1.185 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 11243561 GEWSXXMITMQLBH-UHFFFAOYSA-N 443.909 1.296 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@@H]1c1cccnc1 72461212 VWCQCHBBDSNDJF-CRAIPNDOSA-N 444.451 1.924 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)c1C#N 471849218 WUEHFNPOLDMUNE-UHFFFAOYSA-N 437.548 1.464 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(I)c2)CC1 477496066 UPKLVIMEAHOHQC-UHFFFAOYSA-N 431.249 1.490 30 10 IDEE N#Cc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c(Br)c1 480651751 KAAAVEXDLUSHPR-UHFFFAOYSA-N 429.340 1.015 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1C#N 489869749 ALKCZHPMIMPELL-OAQYLSRUSA-N 439.497 1.965 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@@H]1CCCO1 505699272 HIYIVQMRMNWDLI-KRWDZBQOSA-N 435.505 1.640 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@@H](C)C1 508890160 WCBKAOYDGAXTRF-SFHVURJKSA-N 426.569 1.795 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)CC2)nc1 513670651 ZRLFJCIVVZLRLB-SFHVURJKSA-N 440.529 1.248 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1F 517154606 VNWYFJFIUOQEAH-KRWDZBQOSA-N 443.544 1.812 30 10 IDEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc(O)c1 546101888 DLLXNNGMXJKLTN-FXAWDEMLSA-N 428.514 1.666 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCO3)CC2)cc1 549869112 YHGZOPHAFODCGO-RTWAWAEBSA-N 438.532 1.739 30 10 IDEE COc1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCOC3)CC2)ncn1 559237859 WPKIPUUZQPOLOM-SFHVURJKSA-N 446.515 1.978 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 610596422 BKSRJFRFWWAUPN-AOMKIAJQSA-N 425.489 1.832 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1CCS(=O)(=O)C1 729332837 ZJEIKMCANOYAHP-CZUORRHYSA-N 439.331 1.451 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C)c1 729668584 OFGXYXYWZWPNRM-UHFFFAOYSA-N 443.532 1.884 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(C)C)cc1 730138711 DTJSBNBDORSUCT-IBGZPJMESA-N 447.605 1.946 30 10 IDEE C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 732402187 OENYUTBXOYPOEO-PBHICJAKSA-N 443.481 1.936 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)c(Cl)c3)c2=O)cn1 735069422 UXOWKXJVPRXQHX-UHFFFAOYSA-N 445.907 1.547 30 10 IDEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(C#N)cc1 740204584 KRLRJMHFEJHJNF-FQEVSTJZSA-N 444.465 1.887 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2cccnc2Oc2ccccc2)C1 749793858 YTDMXLKAMACEPQ-IBGZPJMESA-N 441.532 1.984 30 10 IDEE COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 770245440 MKYNEWIRIFZKFL-LBPRGKRZSA-N 446.298 1.736 30 10 IDEE COc1ccc(Cn2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2)cc1OC 778786816 GLDHMUVCSFMGGV-XUTLUUPISA-N 425.445 1.205 30 10 IDEE CN(C)CC(C)(C)Cn1c(=C(C#N)C#N)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783954901 HDWKOMVCQPISKK-UHFFFAOYSA-N 438.582 1.771 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CCS(=O)(=O)C1 786969365 UJGHHVQCQDNEIP-FUHWJXTLSA-N 439.484 1.288 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)n1 788675661 OETKKTOOVPEWRO-UHFFFAOYSA-N 443.479 1.808 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)n1 788895371 IAESSPBJCDDNML-INIZCTEOSA-N 433.534 1.344 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)NCc3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796425613 QQKMYCMOBBPOAK-WIYYLYMNSA-N 437.500 1.839 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)COc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 797581948 BJXXXALEJGCEPZ-NRFANRHFSA-N 430.482 1.935 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1Br 809123503 ASSNLHSDUVBYJW-MRVPVSSYSA-N 427.255 1.793 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C)[C@H]1CCS(=O)(=O)C1 809864491 JTIDVSPPWPOXPM-CVEARBPZSA-N 437.566 1.556 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 918872399 LNLLUIROFCBMRC-LLVKDONJSA-N 433.408 1.069 30 10 IDEE O=[N+]([O-])c1ccc(NN=Cc2ccccc2)c(S(=O)(=O)N2CCN(CCO)CC2)c1 1084399052 DNPUKQCMFMPGNK-UHFFFAOYSA-N 433.490 1.339 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 1140627776 ZVCVTZWISLJHMG-LBPRGKRZSA-N 428.898 1.097 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@](COC)(C(=O)OC(C)(C)C)C2)c1 1151181723 FFKFIEGFEDFKFA-NRFANRHFSA-N 438.546 1.971 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1156391835 DXDVWOVJOWSKOZ-GOSISDBHSA-N 448.394 1.934 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1157501537 KWWCZBQUEJPOGF-GOSISDBHSA-N 442.921 1.669 30 10 IDEE O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NC[C@@H](O)C(F)(F)C(F)(F)F 1175861344 DCLDYYNUEINIQA-SECBINFHSA-N 444.300 1.658 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(O)Cc2ccccc2Cl)c1 1184283311 GCNCYIJAWYBCAO-UHFFFAOYSA-N 425.894 1.738 30 10 IDEE CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@@H](O)c1cccc(C#N)c1 1195877164 SNQRVTBHIZPRBR-JOCHJYFZSA-N 426.492 1.816 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F 1208473037 CXOARJRRVCHULN-MZHQLVBMSA-N 446.494 1.953 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286314211 MAJZLIIPQBIYMT-KRWDZBQOSA-N 425.493 1.070 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286387611 GXAGZCCXCVSQNT-QGZVFWFLSA-N 428.518 1.678 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286388102 YDVQNNUEIAGPRN-JENIJYKNSA-N 431.562 1.961 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1286394442 VTSPXPSVJVWJTH-HZPDHXFCSA-N 426.633 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1286401447 QPJCHLIYJLCABL-HSZRJFAPSA-N 429.565 1.238 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCN(CC)CC1 1286410657 GKSQWLYLCNEPFK-SFHVURJKSA-N 425.606 1.733 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1286429123 DCUITLBKVAJQQZ-UHFFFAOYSA-N 432.571 1.333 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nnc(C)s2)CC1 1286471934 BIZVUBXGDUODOT-HXUWFJFHSA-N 431.566 1.282 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@H]2C)CC1 1286485342 ZJLZLLFPWHFVMJ-GBXCKJPGSA-N 439.560 1.769 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1286710661 BLCMYTIDONAGTC-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)C1 1286809643 KGVUCZSBLIRBHK-HZPDHXFCSA-N 436.538 1.286 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1297626356 FAIJSYYCEVNJLP-KPDCDPCYSA-N 441.532 1.988 30 10 IDEE CCOC(=O)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1300402139 SLUKOVMBLGMTJE-CYBMUJFWSA-N 435.424 1.506 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300498435 KEWUVGFJXLONQM-CYBMUJFWSA-N 442.467 1.519 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1300506613 WKSRBLGOBQWGRT-UHFFFAOYSA-N 441.495 1.748 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1300548604 MFGWVAWLJPVYSD-GHVJWSGMSA-N 444.495 1.765 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1300676724 RMLSYUYCRXBPJS-IYBDPMFKSA-N 444.540 1.312 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C1CC1 1300813879 TZBURJNMZLRWCZ-OAQYLSRUSA-N 426.546 1.788 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1 1300892870 VYISJJWQKQENRP-SIKLNZKXSA-N 444.580 1.734 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301248836 LBVAVIWWKMHMFT-QGZVFWFLSA-N 447.565 1.332 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCC)c1 1301295999 CVYOBJRPIKIZIL-IBGZPJMESA-N 449.577 1.875 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301484921 OYSUTKNWWZINGZ-IBGZPJMESA-N 435.532 1.277 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(N(CC)CC)CC1 1301496662 FIAHHNFMGSFQRD-UHFFFAOYSA-N 443.552 1.619 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3nccn3C2)C1 1301537570 BZWWHMMOLMIMBJ-GVDBMIGSSA-N 449.581 1.129 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301594593 HIJUPIKAAUYFFG-CQSZACIVSA-N 428.522 1.058 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O 1302839334 RERFADFFTVFDRF-SUMDDJOVSA-N 429.546 1.849 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)C1 1302978296 BIOPPGHKUOIQIB-IBGZPJMESA-N 428.428 1.210 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCCO1 1305148978 LQJBMHRTUJHGAN-INIZCTEOSA-N 433.534 1.493 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 1313159804 XXRZEQSYWORGDM-UHFFFAOYSA-N 443.573 1.782 30 10 IDEE CCOCc1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1314414325 YAJJZMLQJKOBNK-VHEBQXMUSA-N 430.509 1.490 30 10 IDEE CN(C)C(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1314637819 FXJZVUZJQSRRFF-QHCPKHFHSA-N 448.531 1.800 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316001044 MJGMROYCQKETLA-NMQZXRHPSA-N 444.536 1.561 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1342263326 OYDBFLCZXQQVSG-PBHICJAKSA-N 428.938 1.677 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)c1 1354749788 MOEYTCAFJURUGX-CIKXWHQYSA-N 446.451 1.753 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCN(CC)CC1 1358900470 LJWHAKDDIZFVQW-WOZUAGRISA-N 432.613 1.734 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358937271 OCNOEKKEYNAKPZ-ULQDDVLXSA-N 446.552 1.510 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1358978818 VRQNYKBVMQBESO-CQSZACIVSA-N 447.483 1.272 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1359024473 NXSCPZIZZSGHMZ-OAHLLOKOSA-N 437.591 1.528 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1359325254 BDESCRQWIKGIPL-KRWDZBQOSA-N 445.495 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](COC)C1 1359329252 CVYRGPQAEHTDCB-INIZCTEOSA-N 448.545 1.790 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359334643 MVXYDKHGQMMEIB-IBGZPJMESA-N 432.594 1.788 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCO1 1360214719 AQLZRECVXSXLLK-INIZCTEOSA-N 425.493 1.520 30 10 IDEE Cn1cc(I)c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 1440810487 MKVKRHQPFMZLLZ-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE CS(=O)(=O)N[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1454270066 UCHNQUCVXOSIGB-HNNXBMFYSA-N 441.351 1.297 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC#C[C@@H]1CCCCO1 1457035955 YWFSYVSLWBWYEG-ZWKOTPCHSA-N 440.949 1.562 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1 1458187994 NPFCZJBLMDGDRR-UHFFFAOYSA-N 431.518 1.651 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 1464555299 WUBLOEHBRXZWQF-UHFFFAOYSA-N 449.983 1.772 30 10 IDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1465165970 HDJWMKVVJFDMBT-INIZCTEOSA-N 427.486 1.891 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)CC1 1471450457 AAFICBLQQRNAEA-UHFFFAOYSA-N 447.586 1.193 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)[C@H](C#N)C1 1478404670 UAYWEYBTIRECAP-GHMZBOCLSA-N 428.433 1.022 30 10 IDEE CCNC(=O)C1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CCC1 1502402151 DAZHWAGPEJDJGR-MRXNPFEDSA-N 429.550 1.669 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C 1503889935 QZTFUVVWXRTBFH-WJONJSRFSA-N 440.504 1.634 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1505321447 AVDUOCHTBNIJSG-BZUAXINKSA-N 444.458 1.164 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)OC)CC1 1507582761 JVQJYZGHPXTOAL-UHFFFAOYSA-N 434.500 1.995 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[S@@](=O)CC)CC1 1507726906 MKQVZSJTEXOTIH-PMERELPUSA-N 429.590 1.998 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507782095 SMGPCTORNYHXIE-WBMJQRKESA-N 444.355 1.153 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1508042166 WLTGUYSXTRDPNE-WIYYLYMNSA-N 437.610 1.976 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1508076204 SJHXJZPAKRHHSH-CABCVRRESA-N 431.468 1.859 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1508121579 FMOVAKCGNOTJQE-OALUTQOASA-N 438.532 1.761 30 10 IDEE CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1514246923 STJQJTHSKPLRDI-QFIPXVFZSA-N 439.520 1.600 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1516179229 AVNRBBWRCLYCKI-IRXDYDNUSA-N 434.438 1.866 30 10 IDEE COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1519403130 DLKBOTNBFJJKPZ-SFHVURJKSA-N 433.534 1.351 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519522317 LBGSKBNLKUEFJA-OAHLLOKOSA-N 435.941 1.215 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1519606796 OUAPRFZACJAYIT-SFHVURJKSA-N 444.561 1.497 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1521308946 BYVGTMRSSBFQTN-LLVKDONJSA-N 448.273 1.739 30 10 IDEE COc1ccc(C(=O)Oc2cccc(OCC#N)c2)cc1S(=O)(=O)N1CCOCC1 1525228677 ULCKJSJZDJJCRM-UHFFFAOYSA-N 432.454 1.838 30 10 IDEE CCCCCCn1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc2c1=O 1536180056 PGXPTOZCOHVTPJ-AOMKIAJQSA-N 442.541 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C2CCC2)C1 1538484814 IDBDASBIJXWXQN-UHFFFAOYSA-N 448.545 1.726 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539132043 BNTPYLPCGGZJDT-GJZGRUSLSA-N 437.591 1.941 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539205008 DXDHYUWLPYNZJM-FUHWJXTLSA-N 432.546 1.937 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(C)(=O)=O 1539301206 MPBAZWJIWPOGNK-UHFFFAOYSA-N 446.529 1.478 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ncnn1C(C)(C)C 1539420462 DXKKZFJCQMKJEL-UHFFFAOYSA-N 447.547 1.997 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2)CC1 1539447859 XOUMNOQLXPLQQN-KRWDZBQOSA-N 433.965 1.637 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1539475974 PDBSHDNPHJKMGU-WOJBJXKFSA-N 438.532 1.357 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(C(=O)OCC)c2cccnc2)ccc1F 1544212378 GJROGUSIYZSUPT-FQEVSTJZSA-N 435.477 1.893 30 10 IDEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)nc1 1544279192 BSFFLFYHBIDOJO-NVXWUHKLSA-N 440.481 1.720 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1546091164 KHUCHEFXQZQXHL-GAJRUTHPSA-N 425.493 1.805 30 10 IDEE CS(=O)(=O)NCCCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1555818374 XRFMSOWINGEXFZ-GOSISDBHSA-N 432.550 1.121 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1558270695 WTTJEIHLJQYWIQ-UHFFFAOYSA-N 449.554 1.181 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccccc3CSC3=NCCS3)C2)c(=O)nc1O 1558805962 ZHFKXTVKACIPFQ-UHFFFAOYSA-N 427.511 1.854 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1565691495 HDDWSLBVUCOIPJ-ZDUSSCGKSA-N 425.486 1.455 30 10 IDEE C=CC[C@@H]1N(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCC1(C)C 1568330027 LXCXDLVBUBNGID-KRWDZBQOSA-N 428.576 1.962 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1587514005 MILXBNAXXXHEBT-QFIPXVFZSA-N 428.577 1.945 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1587561117 BDHFEXDGDNBTMD-NWDGAFQWSA-N 430.456 1.808 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1588271073 DLQMTOBZYUCRQX-QFIPXVFZSA-N 446.573 1.983 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CC)c1 1588594097 FQDSLYWNPBKDFL-UHFFFAOYSA-N 442.545 1.699 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CC2(C)C)n1 1588724292 WWPSVBNUEXNZEC-SJLPKXTDSA-N 425.537 1.758 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCC[C@H]2C)CC1 1588930307 SFQZHZIFGPSOPJ-UYAOXDASSA-N 428.581 1.622 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1595789532 VQKJQADEYSOKAX-UHFFFAOYSA-N 447.536 1.858 30 10 IDEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1613406402 LCTXUZYHJMQPHJ-PWIZWCRZSA-N 440.548 1.907 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1613588422 IKOWHRNCCUTSBY-RBUKOAKNSA-N 445.568 1.179 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1614942212 QXKIFJADBOEDJY-UZYVYHOESA-N 441.536 1.425 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC)C1 1615973134 QGDVCVGBRAEHFL-SFHVURJKSA-N 432.550 1.761 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC(=O)N1 1619899793 IKXRIJXRNQBRHS-LJQANCHMSA-N 434.504 1.482 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)C1 1620346416 AQAIMIVASUKLLV-HNAYVOBHSA-N 425.530 1.971 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1620567470 ABJSVQUDAGAEJK-QHCPKHFHSA-N 434.581 1.696 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1623722218 QUTRRHHGCOOCBZ-UHFFFAOYSA-N 445.744 1.081 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(CC#N)n1 1633131208 XVLMLNCCUGVXRT-INIZCTEOSA-N 434.905 1.973 30 10 IDEE CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@H](C#N)CO)cc2)cc1 1636604840 DWJKQEPJIBBXET-OAHLLOKOSA-N 433.486 1.290 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H](CO)CN1CCCC1 1636962665 WONABCVNXUMMSX-ICSRJNTNSA-N 428.533 1.965 30 10 IDEE Cc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1638299455 UEMROXDIXTXSMM-KRWDZBQOSA-N 427.505 1.886 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)C1 1638398012 QGNOFIJVEMYFRH-NSHGMRRFSA-N 429.565 1.975 30 10 IDEE C#CC[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C)C(=O)OC 1638826538 LJCYLVRVHZBJDR-INIZCTEOSA-N 448.545 1.218 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3c(Br)nc4n3CCOC4)C2=O)cc1 1639973896 PFIRHEXAKAOTCI-CQSZACIVSA-N 444.289 1.578 30 10 IDEE C#CC[C@H](COC)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1641843817 WGIBWUJNBOBRJE-MSOLQXFVSA-N 442.541 1.877 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC3(CC2)CNC(=O)c2ccccc2O3)c1 1644489865 UWRPWYFXZZQZIG-UHFFFAOYSA-N 432.480 1.973 30 10 IDEE C=CCCC[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C)C(=O)OC 1644823737 ZTSFUUVYLBPLDS-UXXRCYHCSA-N 430.423 1.986 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)cnc2OC)cc1 1645586096 GQRGBIRTDYIYEM-UHFFFAOYSA-N 438.303 1.694 30 10 IDEE C#CCN(C(=O)Cn1c(=O)nc(O)c2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 1651217858 HKNHGZVYYDQMLM-UHFFFAOYSA-N 440.500 1.963 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)cc1 1653667147 DIQOBCCWWVPGPM-OAQYLSRUSA-N 428.514 1.682 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)c(OC)c1OC 1654438986 CIJVAXFARBWYMP-UHFFFAOYSA-N 437.518 1.494 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COCC 1690019227 DFZRRALMYYMJSW-HXUWFJFHSA-N 426.542 1.838 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690103874 IEMCSONHHPEEEI-GOSISDBHSA-N 447.561 1.167 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CC)CCOCC2)CC1 1690144028 JVAGPWZZNLBYLG-SFHVURJKSA-N 442.564 1.402 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690278422 AKJPETAFSWIULI-AEFFLSMTSA-N 444.561 1.486 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1690309741 JHJJAEZPHDJBJD-MRXNPFEDSA-N 435.488 1.513 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1690312820 DBTHEJDYUMYGKD-FGTMMUONSA-N 441.598 1.686 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1690592772 IICVTBXIRVGTOI-IRXDYDNUSA-N 437.552 1.908 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690744298 MCPIONVDSJHDLM-FCEWJHQRSA-N 442.607 1.484 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1691008385 ICULGFXKSSIGFA-MRXNPFEDSA-N 444.561 1.589 30 10 IDEE CCc1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694667438 VXTLJJLDPMFXBH-IJYGLTAASA-N 430.509 1.141 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)C(C)C 1696328822 FUYVRTWYQOZQIV-UHFFFAOYSA-N 426.525 1.180 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCC(C)(C#N)CC1 1696500284 XGBXGLYYKRCNBN-UHFFFAOYSA-N 431.566 1.723 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1705558806 ITWVSTAHIIHKSJ-KRWDZBQOSA-N 433.578 1.721 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1C 1705580503 KPFYYEUWNGXYQM-ZWKOTPCHSA-N 440.573 1.984 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCOCC1 1705607340 ZLIVWWTVBIIOLT-UHFFFAOYSA-N 445.589 1.921 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705655650 IGJRANOATVQHLF-MRXNPFEDSA-N 449.989 1.987 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1705857250 RUUNJQLIODLBHB-PGRDOPGGSA-N 427.505 1.582 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)c1nccs1 1705931810 BBLAYJRUYCPZDK-CQSZACIVSA-N 435.579 1.976 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705937606 YTEUCYCPMHYZEP-ROUUACIJSA-N 432.594 1.784 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCCC2=O)CCOC1 1710482074 AEJAZFYNHXKUIQ-AVRDEDQJSA-N 446.552 1.452 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1711049682 RXSQVHWALRPQEX-UHFFFAOYSA-N 441.879 1.801 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1712329004 FYZZPCPCAJKSEH-LEWJYISDSA-N 428.468 1.958 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1712449928 HQFTXAHAQSQZNE-NRFANRHFSA-N 445.545 1.229 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2COCCO2)c1 1722305316 OZRBSEBCWFBAGP-IBGZPJMESA-N 432.484 1.812 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OCCOC)C1 1722325582 ASISQLPFDCHDII-FQEVSTJZSA-N 436.520 1.966 30 10 IDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722332719 CKKBEJUWTCGMGM-GOSISDBHSA-N 428.537 1.204 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722371112 UBZKWUSFDGDKIW-IBGZPJMESA-N 437.610 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)CC=C)CC1 1722449492 KMEWAVLFWDVDEM-UHFFFAOYSA-N 447.605 1.577 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCSC2(CCOCC2)C1 1722689052 PPZOCFGQZNOXAH-MRXNPFEDSA-N 439.582 1.407 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CC(N)=O)C1 1722701787 DORFKOCOYLCVHJ-QGZVFWFLSA-N 435.532 1.675 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nncn2C)C1 1722716774 XYSUJRQXSBXJIX-MRXNPFEDSA-N 425.493 1.920 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)cs1 1725410577 HIWABXSKXPORCC-ZWKOTPCHSA-N 431.566 1.209 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1729169177 SWLPHHLRGFUWGZ-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CNC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729721495 DRWDYDPUWTXRTB-HNNXBMFYSA-N 429.475 1.460 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCS(=O)(=O)C1 1740537874 IDGNENBZHFGLTF-QWHCGFSZSA-N 440.367 1.939 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCS(=O)(=O)CC1 1740543043 HUTLVTHNFNGICH-OAHLLOKOSA-N 430.530 1.999 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)CC)c1 1740561681 ANLZHAUXUAOHRG-UHFFFAOYSA-N 434.504 1.213 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740623032 NCZUKJHYTNAGQQ-SFHVURJKSA-N 442.545 1.711 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCOCC1 1740685345 MFIWFVNFSDQWKH-JOCHJYFZSA-N 439.560 1.749 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740874237 PXRAOTGIIZBTTB-HZPDHXFCSA-N 434.541 1.925 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1740937650 LHOSUUBDZMCKNV-HKUYNNGSSA-N 428.537 1.778 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740986433 XIJZHOGXJCMZNS-UHFFFAOYSA-N 432.550 1.360 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1741063678 HJQFBOTXKASPCB-OXQOHEQNSA-N 446.508 1.629 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1741274545 OSBZWQVGUMVVNS-XXBNENTESA-N 438.532 1.709 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CN(CC(C)C)CCO1 1742835131 DFLBGBHRGMTFNQ-MJGOQNOKSA-N 439.568 1.320 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1746729593 XXXPYCHZIAXUMV-PGRDOPGGSA-N 432.569 1.922 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1747444672 ASYUDOYZOYUVNS-CQSZACIVSA-N 429.506 1.094 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1748757465 CTKAPNLSESUUHQ-ROUUACIJSA-N 430.553 1.181 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1748831319 KMKKKLVOOJFUQH-UHFFFAOYSA-N 433.472 1.188 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1 1748914563 HAIKIRVPBVHYQH-UHFFFAOYSA-N 431.298 1.748 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C 1748963047 XHSYWZPSCQQRMM-CVEARBPZSA-N 426.608 1.798 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1749048635 SGYCGLFXRPIWGD-UWJYYQICSA-N 435.594 1.648 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749097532 CJNYSWNAEADYME-GXTWGEPZSA-N 437.342 1.633 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749361948 SCZBBQXJARKJGM-OALUTQOASA-N 442.495 1.629 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CC(=O)NC(C)C 1749806029 FBQWJXAEFSXBFW-LJQANCHMSA-N 426.521 1.831 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)CC1 1760133536 HEYSGABLUHUZHU-UHFFFAOYSA-N 435.492 1.613 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760138347 WTZCZPSEZVDPGC-MOPGFXCFSA-N 447.605 1.726 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CN3CCCC3)cc2)CC1 1760252116 LXYFHZNITYAQRV-UHFFFAOYSA-N 449.603 1.816 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cl)c2)CC1 1760253814 JYKLIOKSSKDJTE-HNNXBMFYSA-N 436.969 1.345 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1760273518 XEZOGTXLVDTERZ-QGZVFWFLSA-N 431.537 1.324 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 1760402136 UQNRAEGBCXJBQZ-GOSISDBHSA-N 444.561 1.610 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1760461338 PIUBFRBOVIBQOG-KRWDZBQOSA-N 437.548 1.661 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@]2(CCCOC2)O1 1763081177 BXYHCVVIQKPJGT-MBSDFSHPSA-N 441.532 1.990 30 10 IDEE CCNC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1765641007 SPIDQDYFSFPRRB-SFHVURJKSA-N 427.509 1.291 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1766864528 LZJGWMWRPPIGKU-GOSISDBHSA-N 438.536 1.591 30 10 IDEE CCOCc1nnc(N2CC[C@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767826635 XKLRDMVWSXSTJJ-CVTQAYBASA-N 426.477 1.928 30 10 IDEE CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1768446769 CEUYHPXLAXQZRO-UHFFFAOYSA-N 449.494 1.551 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)cn1 1769003377 LHQWPABLRNUJON-KXBFYZLASA-N 438.458 1.477 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)N(C)C 1769982745 KLNDYNIPGCQOIT-OAHLLOKOSA-N 428.559 1.024 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1771251656 VACUNLUFGAJPSD-KNQAVFIVSA-N 427.505 1.864 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1F 1771305079 SBIGJBQOQHWICW-IEZWGBDMSA-N 431.468 1.927 30 10 IDEE C#CC(CC)(CC)NC(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1852169865 STPNDSNEVUKEQS-UHFFFAOYSA-N 430.530 1.271 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cnn([C@@H]3CCOC3)c2)cc1 1852775051 ORHVFOWIBCPEIF-CTNGQTDRSA-N 426.473 1.653 30 10 IDEE COc1cc(/C=N/NC(=S)NCCN2C(=O)CSC2=O)cc(Br)c1O 1860498012 JWIWPFDUDCCZJB-UBKPWBPPSA-N 447.336 1.657 30 10 IDEE C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862132390 XOPQHEUKQMUBSQ-QGZVFWFLSA-N 445.516 1.634 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1C[C@@H]1CCCO1 1870543903 WUEMCDXSPAOEAZ-SFTDATJTSA-N 445.560 1.875 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1ccncc1 1870581989 MRFVDCRQYDIGHX-UHFFFAOYSA-N 438.528 1.703 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NC[C@@H]2CN3CCN2CC3)CC1 1891253393 IBFBZURRZVXHIS-MRXNPFEDSA-N 426.546 1.607 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2025610368 KBJUSUZBMZQGHB-MSOLQXFVSA-N 429.521 1.382 30 10 IDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)nn1 2124521949 NFJBGOHSYAVDGN-XEZPLFJOSA-N 447.345 1.932 30 10 IDEE CN(C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124524757 WDQBDAIQBOBBKT-MRXNPFEDSA-N 447.341 1.717 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248437967 RZOOGYHLWPHZJT-VXGBXAGGSA-N 438.359 1.701 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255626682 IZLMBXGFWAPSPY-ZSEKCTLFSA-N 432.330 1.838 30 10 IDEE CCc1nn(C)c(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255629197 SDIVWHWKXOFKAX-CYBMUJFWSA-N 436.362 1.925 30 10 IDEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255694931 WBHXKRVJXFDRLB-ZDUSSCGKSA-N 437.350 1.538 30 10 IDEE CC[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2255694969 WSKBCUXHLSIVET-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)n1 2255817462 WACQCIWJLGHLHX-CQSZACIVSA-N 435.330 1.305 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255823673 XKUYVBRAUQCRLN-OKILXGFUSA-N 434.346 1.752 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 2267269504 FOGCCMXNQCIRBT-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267594817 AHQRTYMLIYYXGZ-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)C3CC4(C3)OCCO4)n2)OC1(C)C 2277959930 XJNRZHZVSGMOKS-UHFFFAOYSA-N 430.719 1.681 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cc2Cl)OC1(C)C 2282841897 YRVBXKAJVXDOLL-QMMMGPOBSA-N 435.682 1.902 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@@H]1c1cccnc1 72472473 XTYDFNHZGPMQKR-WMLDXEAASA-N 430.424 1.533 30 10 IDEE COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)ncn1 409499710 IFAVFNDGSQMYKS-UHFFFAOYSA-N 427.408 1.887 30 10 IDEE CN(CCC#N)S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 474391603 JGAOFKBZXNBFQV-IAGOWNOFSA-N 436.534 1.350 30 10 IDEE Cc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 475729083 DYJAFCFFBGFKRE-UHFFFAOYSA-N 441.481 1.840 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 504079653 VZZQVMPVLKATRM-FQEVSTJZSA-N 436.534 1.244 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(CCC(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506636042 MYYHAAJBOJHJGS-OAQYLSRUSA-N 449.559 1.742 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 506888519 HAZWWCBDTGNBFD-UHFFFAOYSA-N 432.528 1.496 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508700470 QPJHWNBPBMUWEJ-UHFFFAOYSA-N 425.493 1.784 30 10 IDEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(c2nccn(C)c2=O)CC1 508833600 PZVUEVXWSRPCAI-UHFFFAOYSA-N 430.516 1.887 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 508884628 JATAIWOYSSFXQU-MRXNPFEDSA-N 447.565 1.190 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)CC1 513190274 RTICUKVHUYLZQY-LJQANCHMSA-N 431.562 1.586 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCOCC 523079437 CEKUHKGBNGXCPC-UHFFFAOYSA-N 443.569 1.601 30 10 IDEE COC(=O)c1csc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 532885178 CYKZGCJWMHMQJT-UHFFFAOYSA-N 434.499 1.945 30 10 IDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)C1CC1 533596290 IBDIBDLALBZVPR-CQSZACIVSA-N 426.489 1.422 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1cc(C)ccc1C 541801966 QQNOKRRZHCBCHV-UHFFFAOYSA-N 448.504 1.982 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 555253579 LYSDZIZYGHJVGZ-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 570554714 GDHJNAITRTYLTC-HOCLYGCPSA-N 432.550 1.472 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCCN(S(C)(=O)=O)CC1 574846682 MGZGRWALPDWOGD-UHFFFAOYSA-N 430.578 1.889 30 10 IDEE C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(NC(C)=O)ccc1OCC 583925164 HFEIEHNTLILLLI-SFHVURJKSA-N 430.548 1.798 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CC)c2ccccc2OCC(=O)N(C)C)CC1 604177173 XKZPJCHSIZNLPA-LJQANCHMSA-N 445.564 1.234 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 604881835 LUACSPOLNDGITF-UHFFFAOYSA-N 427.501 1.318 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 609350099 HHQRGMNBJIHXLG-AWEZNQCLSA-N 431.464 1.149 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC1 611672776 JWBJGKHYBPYQOC-NHCUHLMSSA-N 447.605 1.585 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1F 623010663 SECPBMBUVLIQMX-UHFFFAOYSA-N 443.500 1.018 30 10 IDEE N#CCNC(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 731239124 LWOMTFJLSKCTEW-UHFFFAOYSA-N 439.852 1.754 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 732155754 DVFZKTJYXUYOOW-UFZXGQNFSA-N 437.283 1.989 30 10 IDEE N#CCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 732260967 CAFFMWZKJPSXCP-UHFFFAOYSA-N 431.470 1.497 30 10 IDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732663692 CKCZMQHXIQUFAB-AWEZNQCLSA-N 426.926 1.077 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 743725269 LXDLOLPPFLYEJG-UHFFFAOYSA-N 426.498 1.585 30 10 IDEE C[C@]12CCC(=O)N1[C@H](C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)CS2 754772365 DEHGLOOEQDKUEM-WFASDCNBSA-N 444.332 1.580 30 10 IDEE Cc1cc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc(C)n1 755162705 GYLQCSYGRBDCJD-UHFFFAOYSA-N 436.428 1.719 30 10 IDEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(=O)O 757201945 RCUDLBMIZXPYEQ-SFTDATJTSA-N 436.464 1.869 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C)C[C@H]3CNC(=O)OC(C)(C)C)cc2C1=O 763474135 WKPBWNITEUEEJU-MRXNPFEDSA-N 442.516 1.750 30 10 IDEE C#CCN(Cc1cc(I)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 768931653 IMIRGXHVMJAYNW-CYBMUJFWSA-N 449.310 1.931 30 10 IDEE C#CCN(C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 774187298 GXVNTYAHRSXNOZ-BRWVUGGUSA-N 427.567 1.854 30 10 IDEE CO[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 786450595 WAZBQRXPZHSJEJ-JBOYTTPDSA-N 438.550 1.758 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 790104753 VVDJTURVTABOGX-UHFFFAOYSA-N 443.529 1.010 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccccc3)c2=O)cn1 794597218 UYDDOWRFTLLJFK-SFHVURJKSA-N 434.521 1.190 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC)n1 812042978 NUBCWXPJNDFDOZ-UHFFFAOYSA-N 446.515 1.695 30 10 IDEE CSc1nc(C2CC2)cc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1C#N 1138215917 BGWGMRRBZYHECL-UHFFFAOYSA-N 432.531 1.422 30 10 IDEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1140573549 MMXKVLDBMZPMMM-MAUKXSAKSA-N 439.578 1.560 30 10 IDEE CCN1CCN([C@H](C)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1144293493 KRDQSBGSBJIEJG-OAHLLOKOSA-N 434.382 1.899 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1=O 1156253606 FHWFDHDCTRSWDE-ZWKOTPCHSA-N 441.532 1.936 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2c(OC)cc(OC)cc2OC)cc1 1158411800 MPTWLPLIUHTRCJ-HNNXBMFYSA-N 446.525 1.985 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 1159475443 AGMDEXFSIFUVLM-PBHICJAKSA-N 448.545 1.741 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C(C)(C)C2)cc1 1214688266 YWASCSQCRZYMIM-OAHLLOKOSA-N 429.564 1.970 30 10 IDEE C#CCCCNC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1248473279 MVSWFTNUOLIINJ-ROUUACIJSA-N 433.553 1.977 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CCO2 1248651948 VPOUPLNXPOJQNP-SBTCKYBLSA-N 436.509 1.545 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@@H]1CCCO1 1252271202 BSBGIUWMQXAPQJ-IBGZPJMESA-N 437.565 1.607 30 10 IDEE O=C1COc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c(Br)cc2N1 1254477039 GAANTKYZSHCOGQ-BMRADRMJSA-N 435.234 1.036 30 10 IDEE C=C1CCC(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CC1 1266694112 YLLFLHSPQRLEMC-UHFFFAOYSA-N 430.548 1.654 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)OC(C)(C)C)cc2C1=O 1275706170 CFKPSVXZDUIGGR-INIZCTEOSA-N 448.497 1.050 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2nncn2C)c1 1286309056 GNVBKBRGXIJRLM-UHFFFAOYSA-N 429.488 1.517 30 10 IDEE C#CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1286336121 VKEYPZATRSQHSF-JTSKRJEESA-N 444.536 1.206 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286389524 LPBCULNZECTNBL-DLBZAZTESA-N 431.566 1.092 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1286409555 NSYVWJJAYUNHDO-GOSISDBHSA-N 436.541 1.693 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2OC)CC1 1286484960 RXSLFFGMXXAJMP-UHFFFAOYSA-N 449.559 1.960 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1286518205 QKQSATXITDNYEZ-USCONSEESA-N 444.557 1.881 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1286557680 JWNXABUJYZZUJH-AVRDEDQJSA-N 440.548 1.540 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1286581717 NCAAJZOWWXWFHA-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1286699977 JBBFMMWNEQAREV-VQIMIIECSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1286785965 KZEHWZLFZGMZPJ-MRXNPFEDSA-N 442.520 1.493 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286787791 JOXGEOIHQVOVDT-CABCVRRESA-N 430.475 1.895 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC=CO1 1298781491 CNBIBWWFDCIEAX-SFHVURJKSA-N 431.518 1.902 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCOCC2)c1 1299951389 HIVAUNKQCGSGCO-OXJNMPFZSA-N 442.520 1.412 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1300631933 YKZTWTWJEXLMFF-GOSISDBHSA-N 433.534 1.019 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(C(=O)OC)CC1 1300674652 BNNXMTUVUDZKPW-UHFFFAOYSA-N 443.552 1.704 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 1300703128 AKUVGZOQMRZZDV-UHFFFAOYSA-N 436.608 1.045 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccnc2OCC(F)(F)F)CC1 1300716782 RCRBHGFHJHWSMO-UHFFFAOYSA-N 436.438 1.937 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300754819 HWSFGXLQGQBEPZ-INIZCTEOSA-N 447.590 1.106 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1300882572 VSHZQPUAIMKXBL-MAUKXSAKSA-N 432.550 1.730 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301044235 IDLHSVUUZUKGMK-LSDHHAIUSA-N 447.989 1.615 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)C1 1301545946 OECZAVQAKVFUGD-SFHVURJKSA-N 430.534 1.537 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCCO)C1 1302979926 VXIZVZNYJMMXJV-FQEVSTJZSA-N 425.472 1.915 30 10 IDEE C#CCN(C(=O)NCc1csc(NC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1313392882 PHPHZJLHJKQHKK-CYBMUJFWSA-N 428.536 1.822 30 10 IDEE CCOCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1314493331 HHJUFNYXUQBBTN-VHEBQXMUSA-N 445.568 1.261 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 1314922610 FYDAJFRTFCAAOO-VQIMIIECSA-N 436.438 1.651 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1315356245 UILWYBQDDXESBV-LJQANCHMSA-N 442.520 1.853 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1316529524 FPCIIBWEEQPJQT-QZTJIDSGSA-N 442.545 1.486 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCCC)c1 1358871242 BJRZYMXZVOFNKX-HZPDHXFCSA-N 446.577 1.534 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358873659 MBCJQGLFSWTOSL-JPYJTQIMSA-N 440.548 1.668 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1358937939 LPSMDIDDEMOQTA-MRXNPFEDSA-N 431.566 1.391 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC[C@H]1OC 1359021568 TXDAFEYGYNLFPT-YLJYHZDGSA-N 428.489 1.811 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359031974 WNLRSNANTCOKFE-OAQYLSRUSA-N 431.544 1.830 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2nnn(C)n2)CC1 1359039146 YEXVURMNIDOLKD-UHFFFAOYSA-N 449.563 1.482 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1359039560 NPJRCSVWDXIVHH-HXUWFJFHSA-N 441.532 1.313 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359051684 GUPFDABIPCSUIX-OAHLLOKOSA-N 440.533 1.745 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359051693 HCKIZLAIVWGHPV-UHFFFAOYSA-N 425.518 1.800 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359058414 COZXJIXCQDTHDK-SFHVURJKSA-N 425.562 1.671 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1359126333 MPOWGZPZJKTROQ-UHFFFAOYSA-N 430.509 1.564 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359178457 RQJGIKGVQQGZOO-LZICOFPGSA-N 425.493 1.158 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359293786 ZMXAJCFJUCRJCW-IBGZPJMESA-N 447.543 1.779 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOCC)CC1 1359298523 CIUDWCGTWAEUCF-UHFFFAOYSA-N 437.548 1.887 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 1359303620 VNHYZBCIDRFXSX-UHFFFAOYSA-N 441.532 1.764 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)C2CCCCC2)C1 1359312056 MUDQNBWXZWEQPX-GOSISDBHSA-N 432.569 1.989 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359341105 LWRMOKWCWMJKCQ-LJQANCHMSA-N 430.626 1.814 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359375545 RMKMYKVPCCQZDH-LSDHQDQOSA-N 449.515 1.530 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCSCC(F)(F)F 1360684804 QWVYZEIZXQUMDV-ZWNOBZJWSA-N 444.480 1.626 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1435773357 CSAKQHHBQWLDKC-MRXNPFEDSA-N 430.571 1.751 30 10 IDEE C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439613008 IWGCJUURUHUKAG-FGSXEWAUSA-N 431.558 1.950 30 10 IDEE COc1ccc(CCN2C[C@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)cc1OC 1440048105 YNCUSWHSKGMBFN-OAHLLOKOSA-N 439.472 1.332 30 10 IDEE Cc1noc(-c2ccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cn2)n1 1449833207 YYDANMLDFLWOTJ-UHFFFAOYSA-N 426.458 1.897 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCN([S@@](C)(=N)=O)CC2)cc1OC 1455505391 QVKMIZZUUPEFOH-GDLZYMKVSA-N 426.539 1.960 30 10 IDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 1460828859 LNZDPABWPQNMJO-UHFFFAOYSA-N 448.545 1.744 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1 1465398598 DNVBXRYSKAVHBN-GOSISDBHSA-N 436.534 1.283 30 10 IDEE CC(C)c1nc([C@H](CO)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cs1 1469598516 UYAQCBFJNADJFM-AWEZNQCLSA-N 436.559 1.935 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1 1471091407 MPFCRJVEYGOKBW-FQEVSTJZSA-N 428.514 1.792 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(=O)n(-c3ccccc3)n2C)cc1 1471979466 ZLKZIOLHPOUPMJ-UHFFFAOYSA-N 426.498 1.570 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 1475345428 GSRBNIYSRJZLPU-INIZCTEOSA-N 437.522 1.204 30 10 IDEE C[C@@H]1N(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1494633160 KALITVSAPOLECG-HMWBCQRISA-N 425.493 1.803 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1497085837 HAIUSXLGFZSUKH-UZLBHIALSA-N 432.550 1.894 30 10 IDEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCCO 1504391180 UZAGLUDNKRALLP-SFHVURJKSA-N 426.521 1.529 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCOCCCO)c1 1505121478 IMEJAOIBQGILAE-UHFFFAOYSA-N 447.561 1.878 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507628046 MVMLAYNTYOMDTN-QZTJIDSGSA-N 431.562 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1507648906 VMNQEEPDNGZYLC-IBGZPJMESA-N 442.483 1.192 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccc(-n2cncn2)c1 1507712360 WWBUARWNFSOYOT-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC(=O)N(C)C)CC1 1507720085 DPXFQJAWRMQFCK-UHFFFAOYSA-N 440.548 1.584 30 10 IDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1507723474 JNGCTVCMIHKYAB-UHFFFAOYSA-N 428.562 1.209 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1507801154 RNJITOARWWQLCR-GHTZIAJQSA-N 440.548 1.925 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507843165 JELXWNILXJDKAO-INIZCTEOSA-N 430.488 1.078 30 10 IDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)n(C)c1=O 1508041563 GQGTYAQYLMJQSQ-UHFFFAOYSA-N 425.537 1.834 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCC(F)(F)F)C1 1508128582 OLRCQMRFZSNIMH-LZWOXQAQSA-N 447.458 1.462 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1508393676 FNTTTXCOIJYOSM-SFHVURJKSA-N 430.534 1.214 30 10 IDEE CC(C)OCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1509852790 SAFIWZYNBDTWHI-GOSISDBHSA-N 439.520 1.969 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1518751442 OYHSRJBYXNBXFK-VQTJNVASSA-N 428.512 1.960 30 10 IDEE C#CCN(C)c1nnc(CCc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1539190258 FSXALEFXKFUEGA-UHFFFAOYSA-N 433.603 1.511 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1539201224 YYHPBPNCWLRJKL-KRWDZBQOSA-N 435.594 1.869 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1 1539265489 GYJVQYNYJWFSIX-LJQANCHMSA-N 425.558 1.780 30 10 IDEE C#CCSCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1539530960 QBVHNRUFPUYIPK-WCQYABFASA-N 445.521 1.775 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1CCN(CCc2ccccc2)CC1)c1cc[nH]n1 1540809351 VONSBAHICGZJJH-UHFFFAOYSA-N 427.505 1.517 30 10 IDEE C#CCN(C(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1542211005 HRWCCKJYHBNUPG-QWHCGFSZSA-N 427.548 1.991 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 1544672660 HCSKAWLPNINAGK-JOCHJYFZSA-N 432.521 1.474 30 10 IDEE CCCCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1546983442 XXKIJGYCJAUXLB-LJQANCHMSA-N 440.552 1.873 30 10 IDEE Cn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369500 KYJMEZNBFSVZOP-SFHVURJKSA-N 446.433 1.920 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1554127726 HPDASBLAKKTPML-MRXNPFEDSA-N 444.561 1.602 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)c1 1554500849 GHFVXEXPXJUMPA-GOSISDBHSA-N 430.534 1.826 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1554785055 XEKXABRCNTZWFF-DYVFJYSZSA-N 441.492 1.546 30 10 IDEE COCCN(C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1555524257 BOBWAZDQTUNNTB-QGZVFWFLSA-N 436.463 1.853 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](CO)c1cccc(Cl)c1Cl)c1cc[nH]n1 1557565339 FPFMMTXJXQGYHA-CYBMUJFWSA-N 429.260 1.850 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCS(=O)(=O)C[C@H]1c1ccccc1)c1cc[nH]n1 1558595695 YDLIJGLJPBHUFB-KRWDZBQOSA-N 448.501 1.082 30 10 IDEE CC(C)(C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1)C(N)=O 1564688863 BARONTWEECPTOV-RTBURBONSA-N 425.533 1.982 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)C1CCCC1 1565003683 YTUDWYRUSRKEFC-FQEVSTJZSA-N 433.578 1.775 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 1566231724 WOTYUZZLHDYBMP-BTYIYWSLSA-N 438.525 1.720 30 10 IDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)C2 1569676183 OVWZAQQUYNIDOD-HIFRSBDPSA-N 435.477 1.866 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 1585296564 LLIVBPVAAOUGBW-VZCXRCSSSA-N 427.388 1.614 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1585297649 VWMUYYMMURWRFG-XTJHUYNNSA-N 446.426 1.817 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1587621262 QIHQMSOEGNFYHE-CQSZACIVSA-N 428.518 1.085 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(=O)N(C)C)c1 1587693909 WRXCZXDYTQGOSI-UHFFFAOYSA-N 431.500 1.408 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 1587905512 JNONSLLASGUJOL-GOSISDBHSA-N 433.511 1.278 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588166819 QDDVNQLSGGMGPL-KRWDZBQOSA-N 445.520 1.351 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1588385259 GYDQEOOEBRQJQW-ROUUACIJSA-N 439.582 1.420 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC(F)(F)C2)CC1 1588742624 UAGSAAIVJRLPQJ-HUUCEWRRSA-N 430.525 1.079 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1588806067 FLBRDPLZEPYORK-UHFFFAOYSA-N 425.533 1.729 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589036454 HZPOGUILWNHPSU-INIZCTEOSA-N 448.570 1.706 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589116877 OVKCVIFZEOVQEM-IEBWSBKVSA-N 444.557 1.892 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1S(=O)(=O)NCC#N 1589179965 TWAGXGBYAXQMPU-UHFFFAOYSA-N 441.557 1.479 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589514282 FSFGCDDZIHEUCW-LZLYRXPVSA-N 434.566 1.725 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594803309 RWWACGCFNSZLGI-UHFFFAOYSA-N 441.536 1.106 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21)C1CC1 1595020815 OSTHJYGPYJEOSG-QVKFZJNVSA-N 431.562 1.877 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595884997 YHQHSCAOGFBKPQ-ZNMIVQPWSA-N 441.579 1.034 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C[C@H](O)CC2(C#N)CC2)CC1 1616098619 IYABVJUSOOBTGY-OAHLLOKOSA-N 425.507 1.044 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCc3ccc(C#N)s3)CS(=O)(=O)[C@H]2C1 1626826976 SYVFESUEDRTJEM-MAZHCROVSA-N 439.559 1.906 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCCNc1ncccc1C#N)N2C(=O)OC(C)(C)C 1626860659 CYRRMULCEBTUMR-LUKYLMHMSA-N 443.504 1.668 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)Oc3cc(F)ccc32)c1 1628255009 KPTLJICTHUJCQF-SFHVURJKSA-N 432.429 1.318 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)c1 1629870970 OUQYWGQAFBHYEL-LJQANCHMSA-N 446.550 1.708 30 10 IDEE CN(C)CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1635120833 YWFIHYYCFATUIZ-HZPDHXFCSA-N 430.571 1.151 30 10 IDEE C#CC[C@H](CCOC)NC(=O)NCC(=O)Nc1ccc(I)cc1 1635201558 NSWOELAKHRMQCR-CYBMUJFWSA-N 429.258 1.957 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)NC(=O)OC(C)(C)C 1636169214 AFCGPAGNOPXQRP-KBPBESRZSA-N 438.550 1.923 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(Cc3nc(O)c4c(C)c(C)sc4n3)CC2)nn1 1636330741 KXUDSRWMFLGFSD-UHFFFAOYSA-N 442.549 1.819 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H]1C 1637475021 IRLQHSLUKBSXHQ-CQSZACIVSA-N 449.349 1.853 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1647782243 WVCMGVHBABUKKS-JOCHJYFZSA-N 440.569 1.405 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)C2)c1 1647932473 CKKTUQCIYSHFMT-UHFFFAOYSA-N 426.498 1.985 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(Br)ccc3C#N)CC2)C[C@H](C)O1 1650622724 RKNYMSZLOAVZRO-KBPBESRZSA-N 443.367 1.797 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccnc(-n3cncn3)c2)cc1 1658320944 OSRDLCPTIOEWJB-UHFFFAOYSA-N 427.490 1.791 30 10 IDEE Cn1ccnc1[C@](O)(CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(F)(F)F 1676111270 DACFZYFUQUQDDV-GOSISDBHSA-N 437.426 1.359 30 10 IDEE N#Cc1csc(CNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 1685441468 NKXVNKNSFQUDEY-UHFFFAOYSA-N 425.923 1.884 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1cccnc1N1CCOCC1 1689828251 MPQRMXJYFRJMAX-MSOLQXFVSA-N 428.537 1.740 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@]2(OC)CCOC2)c1 1689872139 PJLBUCLKEBAJBA-FDDCHVKYSA-N 439.516 1.644 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1689987696 ASVJBVKHQWFTEV-OAHLLOKOSA-N 449.533 1.059 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689987831 CXZLOBVZHWUIGT-MSOLQXFVSA-N 433.578 1.826 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1690122159 IQDVUCCLLHYBAJ-OALUTQOASA-N 427.597 1.495 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCOC[C@@H]2C)CC1 1690142855 VICAXOBYBOWFLK-FUHWJXTLSA-N 425.537 1.317 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1690527460 OPBBVSMMFMDENG-INIZCTEOSA-N 449.552 1.826 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1690993180 GRDNJVUXVLMDEE-GJZGRUSLSA-N 431.522 1.489 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1695499101 HDXMRAVTKCEEFB-GOSISDBHSA-N 444.561 1.699 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705499798 ZCMYBYIAWXCQTJ-HKUYNNGSSA-N 445.589 1.811 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC[C@@H]2COCCO2)c1 1705507580 HFKDRCOKGMWYNW-WOJBJXKFSA-N 439.516 1.991 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C1CC1 1705545216 SWKDXRPICQRWNE-MRXNPFEDSA-N 430.578 1.748 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCCC2=O)cc1 1705571513 AAISOPGKVHIXRV-UHFFFAOYSA-N 444.539 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F 1705572285 WWDNIVOQBKFSEN-UHFFFAOYSA-N 446.433 1.899 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCSc2ccccc2)CC1 1705632786 BKXKSEZEOLGSBJ-KRWDZBQOSA-N 448.618 1.436 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)CC)CC1 1705634776 IVVKTRGZHQTSTF-IBGZPJMESA-N 435.370 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1705649767 GNSKPBFGQMHHLW-MHECFPHRSA-N 436.560 1.781 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1705655500 DZMIVBATTWCJMI-KRWDZBQOSA-N 449.964 1.925 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1705727909 IJAPEHDEHKHRLO-MRXNPFEDSA-N 428.541 1.805 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705729259 QTFCBWNFFGSJLU-AWEZNQCLSA-N 446.474 1.514 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705729260 QTFCBWNFFGSJLU-CQSZACIVSA-N 446.474 1.514 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1705885537 WATMABMBYXVJHQ-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705901005 XFZUTNBZLHWQQZ-KRWDZBQOSA-N 448.531 1.470 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1706674903 PFDKADSSHUSKCV-VQTJNVASSA-N 439.582 1.883 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1710980390 CGPDFHHCBNHHKD-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE O=C1CC[C@H](c2nnc(N3CCC[C@H](C(F)F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)N1 1712914295 HXLZHLLEZWBQBS-IVHAYALXSA-N 449.462 1.237 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1722292840 XJYXKNMFUIVYCI-BRWVUGGUSA-N 435.525 1.460 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722316969 PHAPHDPHDAEANG-WBVHZDCISA-N 434.566 1.024 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 1722325521 MLWFQNJOHYVKDW-UHFFFAOYSA-N 429.546 1.854 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722457548 GDZYQEHVXWRMPU-WBVHZDCISA-N 448.618 1.812 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722493375 HOFUNRALHMWLRN-PMPSAXMXSA-N 425.555 1.021 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722534772 RIXBIYHBSBZEAY-UHFFFAOYSA-N 442.568 1.999 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCOC2)CC1 1722566468 RXWTXRMRFORMOD-SJORKVTESA-N 425.555 1.194 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1722678586 TXDGVAYLXQWVTC-UHFFFAOYSA-N 445.545 1.395 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1723783410 BRTGCMZVHDRPGJ-MRXNPFEDSA-N 425.537 1.628 30 10 IDEE CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1728310035 YIDMOSFOIQJRKJ-QQMHEVNUSA-N 441.536 1.915 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740626849 NPKKOYRBQQVRTO-OALUTQOASA-N 435.594 1.631 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1740695619 YUBUBVUVKLAPHI-QFIPXVFZSA-N 439.951 1.995 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740718192 JHQQNILCTFYYMM-OAHLLOKOSA-N 427.596 1.009 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1740773692 BCCYMBLRUMONET-RTBURBONSA-N 438.642 1.609 30 10 IDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740791691 AJIKYONUOADUJT-GOSISDBHSA-N 439.582 1.379 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740795540 XCSQLQZJISECCQ-MSOLQXFVSA-N 438.536 1.751 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncccc2N(C)C)C1 1740972640 KTMWLXDSZIMESA-HOTGVXAUSA-N 449.581 1.179 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)C1 1740979613 AVVQZVPPPGAICQ-QGZVFWFLSA-N 439.969 1.853 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740991159 PLUCZOFNTSBWDM-ZWKOTPCHSA-N 439.582 1.078 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1740994243 LMBZUPIEUFZOQS-DOTOQJQBSA-N 437.566 1.005 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1cccc(C(=O)N(C)C)c1 1741123526 FHONIKBRYXYQAG-INIZCTEOSA-N 425.537 1.957 30 10 IDEE CCN(CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1746155786 BBPGLBGBKCCVSI-LPHOPBHVSA-N 425.603 1.750 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1746674702 GKYDBOCQRZXWNV-FQEVSTJZSA-N 439.582 1.883 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748635744 WYQYHIOXKBWHIP-KSZLIROESA-N 448.593 1.176 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1748751996 PSUJGCDIJMKJAD-CYBMUJFWSA-N 442.467 1.829 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748839527 XGMJFFXZBQMFNO-IEBWSBKVSA-N 426.546 1.550 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1748846148 DPQMHLFWTHVCMN-VAMGGRTRSA-N 431.606 1.621 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749097608 FGHOFFHTWMAXSG-CQSZACIVSA-N 433.310 1.873 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)CC(F)(F)F)CC1 1749329587 PRFYUCJMLKXHAP-CYBMUJFWSA-N 438.520 1.785 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749726947 KMAYDNKDMGSCIU-IYBDPMFKSA-N 442.900 1.900 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCCC2)C1 1750215953 IFVRCGXAKPGNHX-UHFFFAOYSA-N 444.561 1.905 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1750222877 IFNLVNDQXZCAFR-OKXSDPAFSA-N 442.545 1.170 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1751097205 GIEXVPVDEHZMKU-ZDUSSCGKSA-N 436.563 1.585 30 10 IDEE CC1=C(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1751329794 SCJDCMKBYHITDB-SFHVURJKSA-N 446.533 1.670 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760144701 YVJUSXIQXZLLHN-ICSRJNTNSA-N 443.596 1.209 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1760173999 CCNGHUKTPURNOH-RTWAWAEBSA-N 441.601 1.814 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)c1ccccc1 1760176075 YRCGEXCMWWRHTK-IEBWSBKVSA-N 431.562 1.874 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760189286 TXQDZTNXLIYFIM-ZBFHGGJFSA-N 437.566 1.695 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1760202018 QJAYMPSCUNXVEY-SFHVURJKSA-N 445.527 1.514 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2cccc(F)c2)CC1 1760269084 XNVTWOKFLIPKAI-UHFFFAOYSA-N 449.490 1.919 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760314085 IVRQBPPPUYJFNA-DYVFJYSZSA-N 428.331 1.539 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1760516801 VOYHVJDAPBXWOW-UHFFFAOYSA-N 428.541 1.973 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCc2cccnc21 1761500980 DGACUOHSDQOWDK-BHYGNILZSA-N 445.549 1.132 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)CCC2 1762196665 UPCSCRNJPJFURR-RDJZCZTQSA-N 446.581 1.711 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763223593 JBPYOMNHYMXLJT-YUMLTWSLSA-N 441.536 1.665 30 10 IDEE CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1766872364 VBCXMIWAUMTRSD-FQEVSTJZSA-N 449.559 1.933 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CCO1 1767707232 HGQAKHISIBLAKL-MBSDFSHPSA-N 438.532 1.709 30 10 IDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCN1CCOCC1 1767964574 DJSFANDXCFTSON-NRFANRHFSA-N 440.548 1.986 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC[C@H]1C 1769084124 BXNUWECPWGEFEC-UZLBHIALSA-N 436.520 1.852 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1852059187 ULCQNJLGMIIKAR-UHFFFAOYSA-N 428.514 1.401 30 10 IDEE N#Cc1ccccc1OC[C@H](CS(=O)(=O)c1ccccc1)OCC(=O)N1CCOCC1 1852224573 MGTUJAMYDDTSFN-LJQANCHMSA-N 444.509 1.655 30 10 IDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1853390345 VANNYWOZRKBBIS-AWEZNQCLSA-N 440.891 1.712 30 10 IDEE COc1ccc(C(N)=NOCCC(=O)N2CCC[C@H]2C(=O)N2CCN(C(C)C)CC2)cc1 1853552545 MAKDIYBIESNSSB-FQEVSTJZSA-N 445.564 1.266 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@H]1C 1854752212 ZHMHMUFBQMKDOU-CVEARBPZSA-N 425.576 1.784 30 10 IDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)OC1=O 1855061521 LOFHSWPFEGXJDD-MRXNPFEDSA-N 427.429 1.768 30 10 IDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1855104731 IDTPGNUWRIGICA-YJBOKZPZSA-N 433.505 1.743 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874434051 KVOBQIJORNWSMH-DNTJNYDQSA-N 437.478 1.087 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccccc1[N+](=O)[O-] 1874435021 JLCJDFGIJFENGV-DNTJNYDQSA-N 434.478 1.996 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCCN3c3ccccn3)CC2)CC1 1889383598 IEIAUTNGAVWJRD-JOCHJYFZSA-N 425.577 1.309 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)CC1 1889383962 ZKAJZGFFAKHEOR-QFIPXVFZSA-N 425.573 1.886 30 10 IDEE C[C@@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255542246 OWCWSHUGQFMOJT-CYBMUJFWSA-N 436.314 1.679 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255651073 GUMXYTWPTXSIGW-CQSZACIVSA-N 434.346 1.801 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2255683833 BXQCTMVUHVUYSW-INIZCTEOSA-N 434.342 1.910 30 10 IDEE CN(Cc1ccccc1)C(C)(C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255695204 YJGUVFFGHZPBNF-UHFFFAOYSA-N 427.358 1.755 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255818300 JJADDCUVMCIUGF-HNNXBMFYSA-N 436.314 1.945 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2255831874 DGWXHKYGPMWOGB-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE CN(Cc1ccccc1)CC(C)(C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255876055 JRIWVYKGMLXPRK-UHFFFAOYSA-N 427.358 1.755 30 10 IDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 2256613903 KKHGSZJQFKAJTG-HNNXBMFYSA-N 437.346 1.957 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)nc2)OC1(C)C 2256882374 JMIMOCKVVLAGHK-MRXNPFEDSA-N 427.266 1.176 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2256927572 LNYOIICGNNGSFA-SFHVURJKSA-N 426.278 1.781 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188534 NTICHCLYEOVQRG-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 2267274454 AOBQZMCBJREWDV-MRXNPFEDSA-N 449.357 1.690 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267597402 QHZQWOJELKEPEK-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE Cc1c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2269067659 UGCBXSLLAPFTPP-INIZCTEOSA-N 443.309 1.428 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2272652100 OBPHOJRGZLYZFV-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2298016442 XKFPNSVIPXSUFH-YHUYYLMFSA-N 443.541 1.303 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322307463 YZEHMFDLODRRIB-UHFFFAOYSA-N 441.309 1.180 30 10 IDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)cc(OC)c1 21315649 JXKLPLZLPFDLLG-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE Cn1c(=O)c(-c2noc(CCC(=O)Nc3cccc(C#N)c3)n2)nn(-c2ccccc2)c1=O 35401891 YGUSDUOVWJHBCK-UHFFFAOYSA-N 443.423 1.424 30 10 IDEE O=C1CS/C(=N/N=C2\NC(=O)[C@H](CC(=O)c3ccc(Br)cc3)S2)N1 39886359 UFTCTWOSBHYKPW-JTQLQIEISA-N 427.305 1.744 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105288380 HEBXXIGQXJIXMS-UHFFFAOYSA-N 427.530 1.946 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 108626108 YVONUSBNGCZFNC-FQEVSTJZSA-N 442.560 1.141 30 10 IDEE C#CCn1c(=NC(=O)c2ccc(C(=O)OC)cc2)sc2cc(S(N)(=O)=O)ccc21 254416420 GDUPDAANXGQFJI-UHFFFAOYSA-N 429.479 1.511 30 10 IDEE Cn1c(O)nc(=O)c2c1nc(NN=Cc1ccc(O)cc1O)n2CCOc1ccccc1 254496800 CCKVJIMIVMABML-UHFFFAOYSA-N 436.428 1.772 30 10 IDEE COc1ccc(CCN2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254677470 JQUCSJTXJNTFBZ-CVEARBPZSA-N 440.543 1.590 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 461315964 KDPRMUKWHIMVTN-UHFFFAOYSA-N 438.469 1.412 30 10 IDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462093084 OFQGUWNPEHTXJH-INIZCTEOSA-N 436.520 1.736 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cn1 471834682 STJVBIDWSBBFQD-MRXNPFEDSA-N 445.526 1.357 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2CC)c1=O 478741532 CGYVPAXMCOILIV-UHFFFAOYSA-N 427.501 1.159 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 482808942 MCOFDJRTUCUZRD-DZGCQCFKSA-N 433.921 1.669 30 10 IDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC2)n1 488324253 CYTLMSDOFNEVGV-QGZVFWFLSA-N 446.552 1.929 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccc(Cn4ccnc4)cc3)n2)cc1 490731603 PFVBEOGJWPCYME-UHFFFAOYSA-N 440.467 1.698 30 10 IDEE Cc1cc(=O)c(C(=O)N2CCN(C(=O)CC#N)CC2)nn1-c1ccccc1C(F)(F)F 503626969 IDESWQATHAGMSD-UHFFFAOYSA-N 433.390 1.758 30 10 IDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508510394 QUUOKYREUKRZBU-UHFFFAOYSA-N 440.548 1.066 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1Cc1ccccc1 525832215 AAFGMSWPSPZHLO-UHFFFAOYSA-N 427.888 2.000 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)n1 545504458 OCRRAMBCHVEGAF-LJQANCHMSA-N 435.557 1.546 30 10 IDEE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2cccc(C#N)n2)CC1 546212384 RDIHSBGUTBFRKJ-NRFANRHFSA-N 446.511 1.457 30 10 IDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 549705738 NRGVJFNHWJOMLD-OAHLLOKOSA-N 428.522 1.368 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(CC)CC)CC1 558990722 FICJDZBYMOPVHN-OAHLLOKOSA-N 426.587 1.549 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)ccc2OC)c1=O 562268499 NBKFRAVAYFVXPG-UHFFFAOYSA-N 430.501 1.966 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 584708702 XFUOHIHXVRZQOL-IBGZPJMESA-N 444.511 1.842 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@H]1CCCO1 610928992 GVTRAWZUDWFCSO-CYBMUJFWSA-N 435.958 1.585 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 614902619 HPWACKADMXBHFV-INIZCTEOSA-N 440.521 1.588 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 730772902 YWJPXJSTDXUITI-LJQANCHMSA-N 431.535 1.923 30 10 IDEE N#CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 731628360 NOPQHTMOKKSWDE-QXAKKESOSA-N 433.530 1.315 30 10 IDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)Cc1cc(C)no1 732648238 QLCAXOFYVBYUHH-QGZVFWFLSA-N 444.513 1.778 30 10 IDEE COc1ccc(CCN2C[C@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2=O)cc1OC 732650520 VMMQOELENXJGJW-IEBWSBKVSA-N 426.517 1.294 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 739855434 TZEPDFJAARVJIC-UHFFFAOYSA-N 445.531 1.532 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n([C@H]3CCOc4ccccc43)c2=O)cn1 742144270 CFAXXGBKGCQZKV-IBGZPJMESA-N 446.532 1.887 30 10 IDEE NC(=O)[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccc(F)cc1 744339732 IADHIARFLSTYOV-HNNXBMFYSA-N 446.504 1.105 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)c2C)nn1 750419806 OHUROLSUDFCISX-UHFFFAOYSA-N 426.458 1.501 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc([C@@H]3CCCO3)s2)c1=O 758062883 YJIMSRLHHYGDJG-INIZCTEOSA-N 425.535 1.723 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2)C1 760551978 MKLCNHCPCHEGMN-UHFFFAOYSA-N 426.521 1.502 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 761630402 PDSDRLFGZPUJDS-ADSWHHSESA-N 436.538 1.425 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)C1 763712191 NQOVJTZKVQCVPB-UHFFFAOYSA-N 425.449 1.157 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 766323442 WFHCNXPUQPUMAZ-QRWLVFNGSA-N 441.509 1.962 30 10 IDEE Cn1cnc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)n1 768423294 ZHBAWCABBHGWNS-AWEZNQCLSA-N 440.464 1.905 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 771021050 NVXVEZNCBQRYQL-IUODEOHRSA-N 430.452 1.571 30 10 IDEE C#CCN(C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CCS(=O)(=O)C1 774196113 OVQOBEXDIVXCLF-QGZVFWFLSA-N 434.514 1.295 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CCCC1 779318237 NNLZAFAQNMHRRQ-CQSZACIVSA-N 445.588 1.821 30 10 IDEE C[C@@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCCC1=O 787975001 FQYOTXLUAFKVPW-INIZCTEOSA-N 434.562 1.803 30 10 IDEE O=C(C[C@H]1SC(=Nc2ccsc2)N(CCC2CS(=O)(=O)C2)C1=O)NC1CC1 790741174 GZDTXGGXWWEINU-CQSZACIVSA-N 427.573 1.783 30 10 IDEE C=CC[C@]1(C(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 791716108 BIYPMONQSHVISJ-KSFYIVLOSA-N 437.537 1.955 30 10 IDEE CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 798553902 JHRHQIGNZLAJNL-INIZCTEOSA-N 449.916 1.669 30 10 IDEE C[C@@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 799858750 DLDZPWACNPPTBQ-GOEBONIOSA-N 437.541 1.160 30 10 IDEE C#CCN(Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 809960773 ZDBUTNWBXQJLOJ-CYBMUJFWSA-N 434.255 1.822 30 10 IDEE C#CCN(C)CCCNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 818609004 FVGOFUTTXNDGGG-IYDISJPVSA-N 431.536 1.537 30 10 IDEE COC(=O)CNC(=O)COc1ccc2c(c1)O/C(=C/c1cccc(OC)c1OC)C2=O 1081801752 YEGLMOQWEFKLPG-GIJQJNRQSA-N 427.409 1.988 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)C[C@@H]3C3CCC3)CC2=O)cc1Cl 1130215293 CLDBINJKGTUPFW-MAUKXSAKSA-N 435.933 1.990 30 10 IDEE N#Cc1csc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 1134474645 GXNXXKSGUCUJIW-UHFFFAOYSA-N 426.907 1.619 30 10 IDEE C#CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC 1141995139 JGBYGWKZPZVYMY-KRWDZBQOSA-N 444.465 1.553 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1152028838 CTAHRVMGQBOIBS-UHFFFAOYSA-N 446.504 1.584 30 10 IDEE COC(=O)c1cc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)c1C 1153376415 SJBXOEJXDJUPJM-GFCCVEGCSA-N 432.502 1.254 30 10 IDEE C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@H]2CCCN(O)C2=O)C[C@@H](C)O1 1159642155 UDWAFTUZLZQGCJ-CPUCHLNUSA-N 445.545 1.832 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(=O)NCC23COC3)cc1 1175725144 TXWIGJKMFHBYGH-UHFFFAOYSA-N 437.500 1.504 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)CC1 1199872810 QVHWGLHRSMUWKI-UHFFFAOYSA-N 429.565 1.832 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286290101 OFIRBNAYUQTELA-LSDHHAIUSA-N 431.518 1.413 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286339148 JHRGGUHATPVURA-GOSISDBHSA-N 445.545 1.103 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286479702 IZFVHJPAWFMDBH-IRXDYDNUSA-N 426.487 1.421 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1286582164 SGJPZUXPLGLECL-ZWKOTPCHSA-N 441.598 1.973 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286756490 NEZUSXVKSDGYID-XMMPIXPASA-N 449.559 1.920 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286788146 QQQHTUMKZBHLRO-INIZCTEOSA-N 444.561 1.498 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1286824030 UETWWWWYMCFCKI-UHFFFAOYSA-N 447.561 1.353 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1286832086 OKMJEEAFGIOWTB-INIZCTEOSA-N 427.596 1.687 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1286968995 NUECVHBTVCCKCI-GRDNDAEWSA-N 439.476 1.375 30 10 IDEE CC(C)=CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1287106149 NAUUOYKQYQNBLQ-SFHVURJKSA-N 437.552 1.826 30 10 IDEE CCOc1cc(C(=O)N(C)C)ccc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1291929383 HVVPIXZSWQKEME-UHFFFAOYSA-N 430.486 1.576 30 10 IDEE COc1ccc(CNC(=O)/C=C/C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1297336281 VOUVJAPROHQWKV-RQWLHQTBSA-N 432.480 1.657 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCCn1cc(CO)nn1 1298283823 PSYRLEVNYFFEJK-IBGZPJMESA-N 436.520 1.854 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1300454907 BHEWKXHTYRETDL-QHCPKHFHSA-N 436.516 1.940 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300489101 ISMFJRFVMIGNEQ-NQIIRXRSSA-N 430.530 1.377 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1300497726 CWMHWXSSFZWBIM-GOSISDBHSA-N 431.562 1.563 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1300509283 IXGCUWHQLPDLEN-QRWLVFNGSA-N 433.509 1.008 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1300695715 HDXHEKHZEJSYNJ-UHFFFAOYSA-N 429.528 1.845 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301490535 AFASABPYZFPQQI-UHFFFAOYSA-N 445.527 1.913 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 1301552304 YYNWDJPOARJBTJ-QHCPKHFHSA-N 447.539 1.674 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCS(=O)CC1 1301587485 PPKWOOAMJWGXBN-UHFFFAOYSA-N 426.539 1.178 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)=O)CC2)cn1 1301849617 BZEXOMYYFCXSPR-UHFFFAOYSA-N 448.531 1.813 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCO[C@@H]1CCOC1 1303827016 DJBWOBHAVLBHQH-JKSUJKDBSA-N 440.570 1.214 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)C1CCCC1 1303835802 FFFUGKHVSWUYOF-KBXCAEBGSA-N 427.550 1.205 30 10 IDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1309732984 KSRYJPCHMFDLGD-LBPRGKRZSA-N 428.454 1.234 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)C1 1314259331 AICMANOAQWLXSQ-HDRIZMEMSA-N 441.532 1.987 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1 1314517149 LSIFYYMKIAGWQO-MRXNPFEDSA-N 445.549 1.912 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1=O 1314930620 RSSLVVWGPOIWPM-LJQANCHMSA-N 440.504 1.203 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1315825399 OWHMRHMFIYRCGH-IAGOWNOFSA-N 443.483 1.269 30 10 IDEE C#CCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936849 ZMDMVEIYWAGBHV-OTWHNJEPSA-N 444.580 1.983 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358962552 RWVFWSRKMINLAF-BZSNNMDCSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1358978469 NSDKOWDLSLJFSV-IBGZPJMESA-N 440.573 1.543 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1359010095 GPJQNDSDMJTHDJ-KRWDZBQOSA-N 448.568 1.961 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359137233 JQGGSHJENUMTEC-JKSUJKDBSA-N 430.513 1.254 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1359165768 WHWULNCCBUJHSU-IBGZPJMESA-N 438.532 1.592 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359287727 SBLBGZJEUYQVNN-ZNMIVQPWSA-N 435.481 1.887 30 10 IDEE CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359455132 HDAGGQJUDNEKJE-LJQANCHMSA-N 438.492 1.556 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1359465407 BLCCKFUZTWGLHB-LAUBAEHRSA-N 447.609 1.318 30 10 IDEE C[C@H](C(=O)N1CC(=O)Nc2ccc(C#N)cc21)N1CCN(C(=O)OC(C)(C)C)CC1=O 1436603916 PWXMPDSOWNBAMJ-CYBMUJFWSA-N 427.461 1.311 30 10 IDEE N#C[C@@]12CN(C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)C[C@H]1CS(=O)(=O)C2 1439608963 IZRMDQXZNIPHEQ-UGSOOPFHSA-N 441.962 1.650 30 10 IDEE C#Cc1ccc(CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1449797805 LCCDZUMHKZQLSH-FQEVSTJZSA-N 427.526 1.514 30 10 IDEE N#Cc1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)nc1Cl 1456143060 MUNTYOMUBGLZEE-HNNXBMFYSA-N 427.896 1.632 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ncsc2Br)n1 1463632452 KBWUFMVLMOTJNW-UHFFFAOYSA-N 433.353 1.714 30 10 IDEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1467670202 PLQLUTVAKWEERT-YMGMXPECSA-N 438.506 1.285 30 10 IDEE Cc1nn(-c2ccccc2)cc1CCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1470429356 MALGNVBXJVAVHU-RXVVDRJESA-N 427.530 1.693 30 10 IDEE COC[C@@]1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CN(C(=O)OC(C)(C)C)CCO1 1470621535 BWYSYGSRFSLBIH-JOCHJYFZSA-N 430.505 1.833 30 10 IDEE C=CCC1(O)CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 1477863592 YYDQBHQYPDRKRU-UHFFFAOYSA-N 436.578 1.235 30 10 IDEE CCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503207862 CNCJPYHNPAKSFK-SJLPKXTDSA-N 426.525 1.933 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1503808042 CEMQPUXBIBATRP-OAHLLOKOSA-N 449.437 1.458 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1504439996 BZFLDSFVRICKMR-INIZCTEOSA-N 426.477 1.121 30 10 IDEE COCCN(C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504858939 OAOQUZRJXAISGY-LJQANCHMSA-N 444.609 1.389 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CC(F)(F)Br)cc1 1505320344 XHZQKPCSJDTYBS-UHFFFAOYSA-N 441.236 1.653 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)OC)CC1 1507591871 OCCOFFXBVYLHMT-UHFFFAOYSA-N 438.536 1.754 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCSC1 1507648278 MQUVZDRGSLBSDB-FQEVSTJZSA-N 444.586 1.179 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@](C)=O)cc1 1507659309 ZVNHIBVAAHCIDL-PMERELPUSA-N 425.558 1.806 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cc2)CC1 1507723871 XMLJXYLNHLNLRK-SFHVURJKSA-N 428.924 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCOC2)CC1 1507734242 JUJFFOPTQHEVGR-DEOSSOPVSA-N 437.544 1.625 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1507750684 BUDVZCUXEKFXSG-QZTJIDSGSA-N 438.619 1.942 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1507821193 WEKFVNFCDCSFCC-MOPGFXCFSA-N 439.626 1.939 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 1515187360 GFLXBRIRWJPBKG-UHFFFAOYSA-N 446.485 1.025 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1515282704 BOHARXMDKITGMY-IBGZPJMESA-N 435.532 1.886 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1517397163 GCOLDPQZAGXWBX-INIZCTEOSA-N 426.502 1.464 30 10 IDEE COC1(C(F)(F)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1517870573 OEBVORYDZIZFJA-QGZVFWFLSA-N 448.474 1.824 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(O)CCN(C(C)C)CC1 1519410556 SDDQLVFVGAKJKJ-QYZOEREBSA-N 434.585 1.833 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)CC#N)CC2)o1 1527971630 FGTOYLYOYFUMPE-UHFFFAOYSA-N 425.507 1.913 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 1535528296 KTZKRGJKRDCSTK-JKSUJKDBSA-N 430.571 1.894 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCc1ccco1 1539145450 KAAYMIPMLKMBSF-UHFFFAOYSA-N 440.891 1.840 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1539258366 WGMYCSZDULMTEU-UHFFFAOYSA-N 441.499 1.026 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539263887 QJZFBSSSGLNPPE-SFHVURJKSA-N 427.530 1.201 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1539323336 FLRCOEFYUWALPF-DXIQSLLYSA-N 430.574 1.848 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 1539441384 NKFZIMYNYVSVNB-UHFFFAOYSA-N 440.511 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1539469942 HXVIWOMKCQHUAU-DEOSSOPVSA-N 445.527 1.261 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539659308 RLLMCTSKZPXSMR-GOSISDBHSA-N 425.942 1.946 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539981913 KIUGLPFQZWVJLK-INIZCTEOSA-N 441.602 1.438 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 1540007127 YGNAMTLHHSUKNB-IKGGRYGDSA-N 427.571 1.581 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)[C@H]1c1nccn1C 1540550526 SVFRKDFFZKLCDX-JBACZVJFSA-N 436.516 1.118 30 10 IDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540855101 YUPDBYXODHEMKZ-UHFFFAOYSA-N 444.517 1.780 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](n3cccn3)C(F)(F)F)C2=O)cc1 1542561253 COYVPDWGEOPXRQ-LSDHHAIUSA-N 434.378 1.880 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1Cc1ccc(C#N)o1 1545925322 IWIXTQIMNVZJAY-OAHLLOKOSA-N 440.508 1.265 30 10 IDEE CN(C)c1nc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cs1 1546248479 AGEDGXJSEMYALZ-INIZCTEOSA-N 426.502 1.645 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCOCC2)C1 1555985622 SELQFMUECRQWMR-NRFANRHFSA-N 448.449 1.838 30 10 IDEE C[C@H](CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1558603985 FIWRGLVLWUOSIF-DNVCBOLYSA-N 438.509 1.975 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)s1 1558655627 CYPWLEJGDGIHHB-LSDHHAIUSA-N 441.575 1.975 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)OC2=O 1565378345 MJYRCINQRYZLDH-QRWLVFNGSA-N 436.509 1.643 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)C2)C1 1583479419 XVRYCNSXSAHQKG-VQFNIZELSA-N 426.517 1.986 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COc2ccccc2)C1 1587808732 WGLUKVGKGIYIBT-PKOBYXMFSA-N 447.561 1.586 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588064350 GQSAOMIJJCBUGF-QZTJIDSGSA-N 432.571 1.902 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588074971 UZVGKROJGHBTFQ-IBGZPJMESA-N 447.543 1.255 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)O)CC1 1588923560 DOXPCVPFLMUSID-UHFFFAOYSA-N 449.515 1.331 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1588975309 GHMFQCRPOSWTEN-UHFFFAOYSA-N 438.561 1.376 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1589579391 KTOKEZAONVPWMK-YWNPBTLJSA-N 447.580 1.967 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1593690738 NTPBBEBXCSYRKM-UHFFFAOYSA-N 432.569 1.802 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CCO1 1596632251 AAQWPWDKGROBDP-LAUBAEHRSA-N 437.548 1.642 30 10 IDEE C#CC[C@@]1(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1597423491 PNNNWVRKKMRRQK-DEOSSOPVSA-N 448.608 1.692 30 10 IDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1602688208 UDPOAESGNPNMPD-GDBMZVCRSA-N 436.534 1.456 30 10 IDEE CC(C)NC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1610247287 VTIWBTWUYSCZQN-QZQOTICOSA-N 427.553 1.724 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1613311803 URDMSVPUCPFMJS-FKQWUUPDSA-N 429.525 1.375 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccnc1OCCOC 1614023717 HNMOOPNBMNPWHX-UHFFFAOYSA-N 448.531 1.902 30 10 IDEE CCOC(=O)[C@H]1S/C(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)N(C)[C@@H]1C 1614995131 ZKKOPMSGSACQMX-ZDVUNINMSA-N 439.559 1.965 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)ccc1OC(C)C 1619083929 XBLGTJZGDSLQFG-SFHVURJKSA-N 442.520 1.996 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 1627015496 SATBHQZHSOVYJY-MRXNPFEDSA-N 447.333 1.159 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 1628547092 SBGHUKRGLYPTGA-LJQANCHMSA-N 434.581 1.696 30 10 IDEE Cc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1630108846 RVIZWPTUIWQZLL-FQEVSTJZSA-N 436.534 1.926 30 10 IDEE COc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)NC1CC1 1640916376 OJIJMDCMZRUIIT-SFHVURJKSA-N 429.498 1.813 30 10 IDEE CN(C)c1cnn(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1641535448 HOZKNGSXXLYQSY-UHFFFAOYSA-N 444.561 1.632 30 10 IDEE C#CC[C@H](CO)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1641745415 FUEAKSLAZCVIFZ-HZPDHXFCSA-N 430.530 1.045 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1647804964 QQXDGINXFPBVKI-JKSUJKDBSA-N 447.540 1.363 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3nc(C#N)cs3)CS(=O)(=O)[C@@H]2C1 1647979577 FPFWILMWMGKZFA-MRVWCRGKSA-N 440.547 1.301 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)ccc1F 1650739889 SLPAJJPDQAWHMG-MSOLQXFVSA-N 425.526 1.398 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1651221318 WCPIEXFQDRKUNY-UHFFFAOYSA-N 431.470 1.177 30 10 IDEE N#CC1(C[C@@H](O)CN2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CCC1 1655061595 VMLUYRPPEGDDNC-JOCHJYFZSA-N 425.577 1.987 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@](C#N)(c2ccccn2)C1 1655280804 OOYZBCSFSIDRLA-OPAMFIHVSA-N 439.541 1.564 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1675410690 WPXPMRBMISQUPW-UHFFFAOYSA-N 435.484 1.968 30 10 IDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCN(C)CC1 1677477474 KNSRAODRKKUQAL-FQEVSTJZSA-N 448.589 1.383 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1689824599 SXGLNDRUKRJYCU-OAHLLOKOSA-N 432.525 1.266 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC2)c1 1689873248 BXRSLPDULFBHPQ-SFHVURJKSA-N 436.516 1.493 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1689914054 ZIZZIQYTKHBESN-GFCCVEGCSA-N 435.472 1.650 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1689937415 ZBLQZHMVUNTXSF-LJQANCHMSA-N 425.537 1.533 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2OC)C1 1689946349 POZBJBKTBMLYMB-DLBZAZTESA-N 446.577 1.493 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCCS(C)(=O)=O 1690099606 DWKVBBAVJWQYJV-UHFFFAOYSA-N 429.546 1.958 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1690264782 CRVDPJTYKSIGBP-KRWDZBQOSA-N 437.570 1.278 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1690622735 WVHRHGGMLAPVRY-DYESRHJHSA-N 434.562 1.727 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)C1 1690686267 LEBQBVFLHBIRPN-GDBMZVCRSA-N 449.533 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690715402 KKKAJBZUTLUATA-QRVBRYPASA-N 432.546 1.982 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1691930816 MIYZZHDZXQBBHZ-MXLIYFDZSA-N 441.536 1.665 30 10 IDEE CNC(=O)CCCN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1696984751 OLROETCHECSHBW-VHEBQXMUSA-N 431.541 1.356 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1698315065 BWTXIPWEBKOANJ-GOSISDBHSA-N 446.577 1.745 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705540940 SSMHHODBPQMOBT-UHFFFAOYSA-N 447.499 1.510 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCC2CC2)CC1 1705647642 JMDAZZISLQFBOT-UHFFFAOYSA-N 435.532 1.141 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](COC)OC)CC1 1705649928 ICMQSXFKDVVYCH-SFHVURJKSA-N 446.577 1.261 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705653891 RXZRISCBKWFJRO-VXGBXAGGSA-N 441.501 1.022 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1705659024 JKCLCFNLKHOMLW-QGZVFWFLSA-N 430.578 1.577 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1705700677 XFBYOYFJXJOWMJ-PKOBYXMFSA-N 446.577 1.711 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1705704598 WZXREBXTXOVFAP-HKUYNNGSSA-N 427.553 1.964 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@]1(O)CCS(=O)(=O)C1 1705860071 AXPAHNFZLTVUOQ-OAQYLSRUSA-N 445.545 1.428 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1705891518 JIPDRUIWVFOKOT-UHFFFAOYSA-N 431.544 1.888 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1705895048 RUBHJFBBTIUXNP-LJQANCHMSA-N 439.564 1.429 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705897627 QATUSNOFZABERY-RBUKOAKNSA-N 437.548 1.678 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705898284 HFOIVYHZDMOQRK-QGZVFWFLSA-N 440.548 1.949 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1705901673 SPHOLKQRXXAJHM-RTBURBONSA-N 438.532 1.672 30 10 IDEE CNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C#N)c1 1711403970 BPXHYRPVGGYVSF-UHFFFAOYSA-N 437.529 1.914 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1712346991 DFKGNKQRKHVKJO-MRXNPFEDSA-N 432.550 1.571 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCOC1 1712443268 WVBWDGUSKXZUEG-KNQAVFIVSA-N 427.505 1.806 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1722380561 PXSOEEWKNGVVOG-UHFFFAOYSA-N 426.484 1.530 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722447457 IBKDWJONWXQDDC-INIZCTEOSA-N 433.578 1.336 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722491638 MJCMEORTYIINTI-QQXKLLMISA-N 449.552 1.918 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1722646661 KGMRBUOMCVMRGM-CYBMUJFWSA-N 431.584 1.010 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1722867174 FAQQCFJPHJHXQG-HUUCEWRRSA-N 448.524 1.345 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1727791214 ARFXTEYOWHKWSZ-SFHVURJKSA-N 445.545 1.372 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1729163234 UTSQPEZCPQJJDR-GOSISDBHSA-N 433.534 1.779 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1729741321 HDYPXFPGCZJOGU-QZTJIDSGSA-N 430.534 1.229 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1731017608 ZFLYBVILNJTTLH-RBUKOAKNSA-N 444.561 1.619 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCSCC2)CCO1 1731188763 IJEVZAXJPNTXAM-HNNXBMFYSA-N 434.516 1.925 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1740622911 KSNGQIUUNBOBDG-IBGZPJMESA-N 441.557 1.532 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740820644 LNFFUXNUVRSLEI-OAQYLSRUSA-N 448.545 1.668 30 10 IDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1740822155 JIYVZZCKBYYNNF-UHFFFAOYSA-N 427.534 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)C1 1740990788 ZTGVNCCNXIHXCC-UHFFFAOYSA-N 428.518 1.306 30 10 IDEE CO[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1748393745 HFPRIBAKAJSXGX-PZJWPPBQSA-N 439.564 1.406 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1748579374 XMOKNYAETCBTRS-UTKZUKDTSA-N 426.477 1.169 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1748751424 HFQZIIXSBJIIKX-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1748843615 HJAJHJOXVVPPJD-DENIHFKCSA-N 429.590 1.800 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC)CC1 1749016572 GHJKITZAPCQRCN-UHFFFAOYSA-N 449.602 1.331 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1749199758 BZNMECKSYGPXJN-LVOTYXHCSA-N 437.504 1.728 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1749667241 VRXAGFVYBCMSLP-AWEZNQCLSA-N 444.492 1.325 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)c1 1750192101 KYKFZBKMAIJHKF-UHFFFAOYSA-N 440.485 1.188 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1750385843 BMZLJPVJVILMKU-SJLPKXTDSA-N 428.468 1.009 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(=O)NCC2CC2)c1 1760126053 PNDSNQDUQSZQJV-UHFFFAOYSA-N 444.499 1.318 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760163445 VWGAJUFFDYHJRA-CABCVRRESA-N 442.586 1.461 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1760180954 NLNKWFRHLZDKKB-RDJZCZTQSA-N 438.575 1.739 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1760185990 ILVQXLVZAIJCPF-DEXQXJORSA-N 440.635 1.795 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1760192961 PXNGGTAISFCPMV-MOPGFXCFSA-N 437.610 1.706 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760286923 AIFFXMFWKXRYKU-QZTJIDSGSA-N 432.594 1.239 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1cccs1 1760522184 NHRDVNNCOWQMNY-HNNXBMFYSA-N 437.591 1.613 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1765276329 LPEOITRGRFPYIF-DOLUGPGNSA-N 430.509 1.312 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1765351356 CEPJHHPHBFMECP-HUUCEWRRSA-N 442.549 1.734 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768032072 DTYLZKCESXQPTH-YGCDDZCOSA-N 437.504 1.729 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1769441203 FFGALKXJSRLDRT-KRWDZBQOSA-N 438.488 1.254 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1770144593 CIBCECBSGPOZEQ-ZWKOTPCHSA-N 427.461 1.984 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCC(=O)N2)c1 1770308775 NCWDUGZDAGMJIG-QGZVFWFLSA-N 442.545 1.757 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1770726829 AIQHWAOKURDJHP-HRAATJIYSA-N 425.468 1.030 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1770751285 FFHZTLNVEWAYTJ-OWCLPIDISA-N 426.468 1.214 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1771189060 SMTLNOCUXVEJSD-MGPUTAFESA-N 432.504 1.810 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccncc3)nnc2N(CCC#N)CC2CC2)C1 1771359171 CXOVKNOBGZKEGG-IBGZPJMESA-N 443.577 1.675 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)OCCN2CC3(COC3)C2)[C@@H]1c1ccc(C#N)cc1 1848993515 FJRKILZNYAEEPJ-VQTJNVASSA-N 429.542 1.827 30 10 IDEE CN1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccc(F)cc2F)CC1 1851735892 VFCYGEJBPVTVHY-IBGZPJMESA-N 448.495 1.500 30 10 IDEE C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccccc2C#N)CC1 1852294491 GSVWJWPZCQZOAF-CQSZACIVSA-N 434.468 1.852 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cnn4ccc(C(F)(F)F)nc34)CC2)nc1 1852777228 BGTWHQKIMBVPIU-UHFFFAOYSA-N 445.405 1.994 30 10 IDEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc4ccccc4c3)C(=O)C2)C1 1856854290 CILPJPUIEIHYDP-LJQANCHMSA-N 426.498 1.052 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1861520964 UWYKPEDBEWOINL-LPHOPBHVSA-N 425.485 1.493 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862580198 ZFZZTPLLWCOIFP-GOSISDBHSA-N 444.396 1.888 30 10 IDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870542536 WASSPTGUWNKPCK-IBGZPJMESA-N 447.532 1.047 30 10 IDEE C=CCn1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc2c(N(C)C)ncnc21 1873595606 KGYXVDLPZMLIGL-UHFFFAOYSA-N 428.518 1.303 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)=C[C@H]1O 2141666162 VAOHCZSSNQIAER-HZPDHXFCSA-N 445.325 1.904 30 10 IDEE C[C@H](c1nscc1C#CCO)N(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2186576077 AJZCPXPVJZRSKN-CQSZACIVSA-N 447.538 1.496 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243675290 UNCDFRLVISHVIQ-JQWIXIFHSA-N 427.332 1.655 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2244282283 CJIIFFQFKSTGCN-XOBRGWDASA-N 428.530 1.965 30 10 IDEE C=C(CS(=O)(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247961866 JGKWWJSTJFSHCA-UHFFFAOYSA-N 446.375 1.512 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)n1 2255612164 MZHRYCVPLIYYBS-QGZVFWFLSA-N 425.342 1.509 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)(C(N)=O)C1 2255620043 VIIBKHWHCAKAJV-UHFFFAOYSA-N 437.346 1.697 30 10 IDEE CCN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255623534 OMJMXYKSSCBTDS-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2255862902 KBOFOCPMORGPQM-UHFFFAOYSA-N 429.248 1.845 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255872885 GBGANVWJARUPRT-UHFFFAOYSA-N 435.334 1.315 30 10 IDEE Cc1c(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528337 REZVCCGKKDEOAF-UHFFFAOYSA-N 440.353 1.758 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)n1 2267541581 GCKSVDHBCCZXKM-GZBFAFLISA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267587605 ZKVQSZUXZDXBGU-JOCHJYFZSA-N 447.341 1.483 30 10 IDEE Cc1nc(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268637941 GOOHGTNLPWLZHW-UHFFFAOYSA-N 448.329 1.395 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268640585 IDZZSWRMCAMGIL-MRXNPFEDSA-N 446.357 1.918 30 10 IDEE CN1C[C@@H](C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2268643700 LEVBRDFVXBLRAT-HOTGVXAUSA-N 449.357 1.901 30 10 IDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320556776 ZVYABSLZYVRESN-KBPBESRZSA-N 438.309 1.738 30 10 IDEE COc1cccc(C=Nn2c(Cc3ccccc3[N+](=O)[O-])nnc2SCC(N)=O)c1O 2328471418 PBWCNYUFNXGUEZ-UHFFFAOYSA-N 442.457 1.951 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2c2ncc(Br)cc2C#N)C1 2379814115 SHNSCOYMBZIXMX-CQSZACIVSA-N 436.310 1.887 30 10 IDEE Cc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 10453444 CXIGXVZEGLHJLF-UHFFFAOYSA-N 426.498 1.130 30 10 IDEE Cc1ncc(S(=O)(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1C#N 427131924 XAOQXAYKWUWXMV-LJQANCHMSA-N 428.470 1.077 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)c(-n3nnnc3C3CC3)c2)CC1 441137436 FTIUZZJECXZFPG-UHFFFAOYSA-N 440.508 1.000 30 10 IDEE CC(=O)N1CCN(c2cccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)CC1 444984710 UCWPPZNAKLCHAW-UHFFFAOYSA-N 433.516 1.976 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 461073507 IREQHDOCMMWCNU-NHCUHLMSSA-N 449.559 1.739 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc3c(c2C(=O)c2cccnc2)CCC3)C1=O 470043895 IVSQMPWBFRMYEJ-UHFFFAOYSA-N 438.465 1.778 30 10 IDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473446490 CJMREYJXCZTSEJ-RDJZCZTQSA-N 433.873 1.917 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1Cc1ccon1 478854249 YRSCETUPUUTMCN-UHFFFAOYSA-N 440.500 1.677 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 481534886 YSHTWWKAKPRKSV-IBGZPJMESA-N 429.498 1.799 30 10 IDEE CN1CCN(c2cc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)ccn2)CC1 487715153 MKNNXWJETHWODD-LJQANCHMSA-N 436.541 1.859 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)ccc2I)CC1 512998166 LMLILGOYGGCZJQ-UHFFFAOYSA-N 427.286 1.660 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 518068318 LCFOZFKRBXZMJY-OAHLLOKOSA-N 447.507 1.786 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H]2CCCO2)n1 549501970 UISRUBRNHUQDFU-HXUWFJFHSA-N 447.547 1.912 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 555253611 NGFOCFUPJAKCQK-GJZGRUSLSA-N 440.595 1.884 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1F 557725310 MACYIKIRBCDOIK-OAHLLOKOSA-N 443.500 1.018 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N 561546770 XGSWFUHYOAWTQG-GXFFZTMASA-N 436.353 1.317 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 566708499 UKHAIZNFLOKJLA-MRXNPFEDSA-N 448.495 1.896 30 10 IDEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586863419 MFRJZVLVLHGSSG-UHFFFAOYSA-N 431.512 1.056 30 10 IDEE C=CCCCN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 605645253 MCCQECIQDSZMRL-UHFFFAOYSA-N 434.562 1.951 30 10 IDEE COc1ccnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)n1 610007215 CPTMALHRWIDCSA-UHFFFAOYSA-N 427.408 1.887 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1F 614904448 KZMRNYZUDWAENT-OAHLLOKOSA-N 430.501 1.965 30 10 IDEE CC(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C#N)n2)CC1 619848753 CAVNGVUVOHKFEO-MRXNPFEDSA-N 429.550 1.429 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCc2c(C)nn(C)c2C)C1=O 726115471 QBAIWEZJRGPACK-JQBIEYAESA-N 428.562 1.653 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cc1C 726577907 YCNMGCWMSUYUGM-UHFFFAOYSA-N 430.489 1.650 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 730140874 YELNXGYGASMTRS-KRWDZBQOSA-N 437.541 1.270 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)c(Cl)c1 730144247 YZNCWKFQIOCARA-AWEZNQCLSA-N 443.932 1.225 30 10 IDEE C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732152810 BAZFPZCQLWDWOM-RLBWVDARSA-N 446.529 1.506 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccc(OC)nc3)c2=O)cn1 735068410 ISKOKBPJVADCIO-UHFFFAOYSA-N 437.525 1.637 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(CC(=O)N(C)C)c2=O)cn1 735069340 SGOVLZXCKBDDBX-UHFFFAOYSA-N 443.573 1.113 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)c1 744553381 JIOAQFKCCUDYKY-AWEZNQCLSA-N 432.502 1.536 30 10 IDEE CCOC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755543402 BRPIKOYBGMLFDT-CJNGLKHVSA-N 430.461 1.677 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cnc1Cl 760377333 JYJXMLPQRGDSHJ-HNNXBMFYSA-N 444.944 1.227 30 10 IDEE COc1cc2c(c(OC)c1OC)CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)CC2 771758660 HDYSPSIHNZWQOS-ZBJSNUHESA-N 429.473 1.556 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)n1 788855701 WNNUSPJIKQQSQR-HXUWFJFHSA-N 429.521 1.649 30 10 IDEE CC(C)CN(C(=O)COC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 795822669 FDKKFQNQGZUOPC-MOPGFXCFSA-N 431.514 1.455 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802485947 PAOAXGLVWNDEGM-HTAPYJJXSA-N 441.488 1.391 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1C[C@@H]1CCCO1 802689128 KGYBDTDPWVBXEM-SFHVURJKSA-N 429.546 1.978 30 10 IDEE C#CCN(CC)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1CCCO1 812268029 GOHRDENTAPOWQB-OAQYLSRUSA-N 436.560 1.875 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1c(C)nn(C)c1C 914767902 TVVDBBQPHZEBFW-GOSISDBHSA-N 431.562 1.993 30 10 IDEE COc1ccc(CNC(=S)NN=C2C(=O)Nc3cc(N4CCOCC4)ccc32)cc1 915945017 NVNBZQDGCDAPFG-UHFFFAOYSA-N 425.514 1.852 30 10 IDEE COC(=O)c1cccn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1=O 1125125360 GKKWBXBQSYLNAP-OQKWZONESA-N 446.485 1.086 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)C1 1138067818 NTSLPLSTOXQTAX-ZTHJGWAOSA-N 431.537 1.836 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1OC 1148314506 LMGGGQBWVMSWLQ-UHFFFAOYSA-N 444.513 1.655 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c(Br)cnn2C)s1 1151420462 ZTGYMVRZGRAQEN-UHFFFAOYSA-N 433.353 1.567 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C)CCN(C)CC1 1156957328 XYVIRJNTADXLAA-UHFFFAOYSA-N 439.354 1.804 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)CC2)cc1 1160522055 NXHBQBXKYQOFTQ-IEBWSBKVSA-N 449.529 1.092 30 10 IDEE COC(=O)[C@H](Cc1cncs1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1175926588 RUAKOKPYIOYVST-OALUTQOASA-N 445.520 1.365 30 10 IDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc(OC)c1 1196150051 MXCGALDGPHREND-RXVVDRJESA-N 442.541 1.969 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)CC1 1204982243 RAQHDUDOSNIZEB-INIZCTEOSA-N 430.505 1.214 30 10 IDEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCc2ccnc(C#N)c2)c1 1214058776 FRLVPQAPGCRZQM-UHFFFAOYSA-N 430.305 1.598 30 10 IDEE C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)(C)C 1252761938 XORLXRPQKGFILK-IBGZPJMESA-N 436.578 1.494 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1286313726 FGNXWDDOYFXYEM-GOEBONIOSA-N 435.554 1.767 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCOC)CC1 1286474077 ZNEMTZXYNGIBET-UHFFFAOYSA-N 435.532 1.753 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1286530952 SBZFJFGUKAIHIW-UHFFFAOYSA-N 427.347 1.774 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286614919 DRVHOJZTLFYFCQ-SXLOBPIMSA-N 430.553 1.771 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1286716066 DAXYZRPTHZNWFG-JXFKEZNVSA-N 444.536 1.251 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286780668 HHGMANKRPWUKRB-HOTGVXAUSA-N 426.587 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1286822453 DSIWUPIXDASREY-HNNXBMFYSA-N 435.481 1.326 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1295161462 FSUVNHYSUZPESH-QGZVFWFLSA-N 440.533 1.490 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1300317481 ROMVGXDFZVZRMX-MRXNPFEDSA-N 441.557 1.748 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCn2cncn2)c1 1300332639 KBCNDHVXACGUQC-UHFFFAOYSA-N 427.472 1.688 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCCNC(C)=O)c1 1300334418 LSVMLRVOBHXIBH-UHFFFAOYSA-N 445.527 1.846 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1OC 1300399936 NFCGIPDOUJYORH-SFHVURJKSA-N 432.498 1.931 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1300537701 IVNSBEUDPZQHJD-SFHVURJKSA-N 438.553 1.993 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 1300769686 IKGGBWYCIDCKEA-UHFFFAOYSA-N 443.573 1.827 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300950560 GMJLWYFKGDPTHS-QGZVFWFLSA-N 439.582 1.125 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1301016625 AIRWXINEUCSNOQ-LBPRGKRZSA-N 426.930 1.376 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1301199472 LQWFJMPJRFJEFG-QHCPKHFHSA-N 436.516 1.990 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1301447506 ATNQVMXDMXNHEI-IVZQSRNASA-N 439.520 1.718 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301505979 DBQXJJUYFNKDGF-SFHVURJKSA-N 440.523 1.901 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301514237 HFWUCJUHCYGBDE-JPYJTQIMSA-N 441.532 1.852 30 10 IDEE COCCOC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1302189619 JKMFUFVNLKYMBZ-UHFFFAOYSA-N 442.520 1.449 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccoc1 1303404801 CFJQUALLOKDNFI-HNNXBMFYSA-N 435.492 1.434 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1303441019 IEWSURRWEMJNIA-CZIZESTLSA-N 429.525 1.423 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1314805829 FBZLTMJABLHOHJ-GOSISDBHSA-N 436.520 1.854 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1358930472 WEFXZLUECWULKD-XHSDSOJGSA-N 445.536 1.752 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1358939675 BTFQMWPVTSTPPP-NFBKMPQASA-N 432.613 1.662 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1358981419 IYNWNQHVIYQHSW-QGZVFWFLSA-N 428.537 1.729 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC 1358989111 PXVGGHQMULTFNK-UHFFFAOYSA-N 445.531 1.546 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1358997437 SKCQUTIYUOWKKL-LJQANCHMSA-N 434.548 1.266 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCC(OC)CC1 1359024286 KBFYYVSHSZCEEQ-JLAWEPINSA-N 438.594 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(COC)c2)CC1 1359044879 QTQIHNHEOHBLOA-NRFANRHFSA-N 437.544 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC(C)(C)C)CC1 1359048349 NHNWMKASHSSDDY-OALUTQOASA-N 447.580 1.783 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1)C1CC1 1359246869 NNDBKWJWTXMHTL-HNNXBMFYSA-N 442.655 1.871 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)C1 1359312870 BZBDQOSDVPDOBZ-KBXCAEBGSA-N 447.458 1.390 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1359343426 SSYGFAWJPFWXRO-HNNXBMFYSA-N 429.612 1.909 30 10 IDEE CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)cn1CC 1436860208 JXYOCYIGCNOTKD-VDERGJSUSA-N 428.445 1.047 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](C#N)CO 1449520537 NYGMDVNMBVNTTG-CMPLNLGQSA-N 426.347 1.394 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CC1 1460025477 FLPJAEQXSNAQEY-UHFFFAOYSA-N 434.499 1.217 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O 1460224779 YEIHYVWXQXTPMT-MCRQTXEHSA-N 443.525 1.572 30 10 IDEE CN1C(=O)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1464964999 VZRZERKUNDLZOK-OAHLLOKOSA-N 434.294 1.052 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 1465910026 SPQXJFAXTYAXCA-QGZVFWFLSA-N 446.500 1.922 30 10 IDEE N#Cc1ccc([C@H](C(N)=O)N2CCC(n3nncc3I)CC2)cc1 1473645452 UHRINMHLBYFUAO-OAHLLOKOSA-N 436.257 1.618 30 10 IDEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCCC1 1473647569 VGCSOPZNVWLKAV-UHFFFAOYSA-N 436.534 1.906 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1473661934 FAKALIZJAHFASF-BGYRXZFFSA-N 431.558 1.905 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3Cc4ccccc4OCC3=O)C2=O)cc1 1478566880 AKOCNAYGDGGYON-FQEVSTJZSA-N 447.495 1.380 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1C 1503890493 FDLQCUVNIHQTIB-YCRPNKLZSA-N 442.545 1.962 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1504720017 CIGDTQOXRDKFKW-BEFAXECRSA-N 447.499 1.599 30 10 IDEE O=C1CN(c2nnc(-c3cccc(Cl)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1 1505358805 QEPHTBNCMHHBLI-ZPHPHTNESA-N 441.879 1.061 30 10 IDEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507574970 BIIYIDZTFQKMRN-UHFFFAOYSA-N 446.559 1.959 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507628185 VMSLPOFLNWGKSU-BXWFABGCSA-N 442.607 1.308 30 10 IDEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)NC 1507676194 KWNPWMPBUQDMPV-UHFFFAOYSA-N 431.587 1.891 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOC(C)C)CC1 1507738286 LLWVKCSVNUBPJZ-GOSISDBHSA-N 430.553 1.400 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1507821287 YEBSNJZPKIOZEQ-CABCVRRESA-N 449.524 1.438 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507836592 REPMCXCDYYOTLT-WDUKFBBWSA-N 432.525 1.393 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507956929 IOZXXNOQJLXRDM-JOCHJYFZSA-N 443.552 1.592 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1507965869 WJAIINBQDDEMDO-OHTSDLOESA-N 439.582 1.725 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1508076518 GCRPMQZYOZJQBK-GOSISDBHSA-N 425.493 1.943 30 10 IDEE Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)cnn1C 1510492165 ACSRSSXDHPNJSV-AWEZNQCLSA-N 442.549 1.487 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1511971517 ORNDITWINSFFLZ-GOSISDBHSA-N 437.548 1.596 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCOCC1 1521422484 BGFLDWZSAOILFJ-HTXNQAPBSA-N 428.880 1.962 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1539040512 UYGLLVXLNDKSBZ-QZQOTICOSA-N 433.472 1.169 30 10 IDEE N#C[C@]12CN(C(=O)c3cn(-c4ccccc4Br)nn3)C[C@H]1CS(=O)(=O)C2 1539117599 AOSUSPSWGSTXHF-MEDUHNTESA-N 436.291 1.040 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539220532 KJKZDARXHYSLDF-GJZGRUSLSA-N 435.575 1.476 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC2(O)CCOCC2)CC1 1539462923 PXMCVSUZTOMWOI-WOJBJXKFSA-N 445.608 1.884 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N(C)C2CC2)CC1 1539481146 IJLRKDIRHLNPMU-XLIONFOSSA-N 428.581 1.968 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N(C)CC)CC1 1539483056 RLPQANRXFAFLBF-UHFFFAOYSA-N 440.523 1.452 30 10 IDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1539490772 HXEHQCHNNBMKBT-INIZCTEOSA-N 425.566 1.922 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1540483943 HCMUSHFJEZGVJN-GOSISDBHSA-N 435.569 1.730 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)N(C)C 1541840268 GZAJONHTBDXRLW-MRXNPFEDSA-N 433.520 1.354 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)c1 1542685886 AJUDRKLNMRZYKY-FPOVZHCZSA-N 440.548 1.863 30 10 IDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 1544161835 CAYDGTNLOGWKJW-JOCHJYFZSA-N 447.430 1.992 30 10 IDEE COCCOCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555716441 TVGBTSLYTSHWQA-UHFFFAOYSA-N 436.520 1.920 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1 1562198464 OESJVLOEDJLGTG-ZXFUBFMLSA-N 427.548 1.723 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC3CCN(C4CCOCC4)CC3)CC2)c1C#N 1565051576 OFKRKZNXNAJPNV-UHFFFAOYSA-N 429.569 1.323 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(Cc3ccccc3C)CCO2)n1 1565236915 WJZKFHRBDGBDAI-QHCPKHFHSA-N 439.560 1.884 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1567570471 XHCDRACFVPAEEU-OAHLLOKOSA-N 441.554 1.492 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)c2cc(C#N)ccn2)CC1 1585240462 UEORJAYQCLKKNA-UHFFFAOYSA-N 442.497 1.804 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 1586966895 DFMRXYGVYBBYEI-MRXNPFEDSA-N 439.534 1.517 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1587626266 JOBDAVDAZUQGRL-MJGOQNOKSA-N 436.564 1.272 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1587662395 NGACRRVXDKQYSF-HKUYNNGSSA-N 440.548 1.833 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1588768330 FDKRBBDNAJNYIM-HSZRJFAPSA-N 447.587 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NC(C)C)CC1 1588947672 SJNVDKDEHIMBDN-UHFFFAOYSA-N 440.523 1.498 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](C)(C(=O)NC)C1 1589304890 LWDJFKXKJYIVGU-DYVFJYSZSA-N 430.347 1.873 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595496845 ISUYDKDSDVQEQP-DLBZAZTESA-N 443.460 1.379 30 10 IDEE CN(CCC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1618199909 CYKHUGTWAJMFGT-QGZVFWFLSA-N 434.522 1.360 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1618677996 ADHYLRYOMPDBML-UHFFFAOYSA-N 448.531 1.781 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1623951693 SSHOSMQDYISKBZ-QWQRMKEZSA-N 436.958 1.875 30 10 IDEE C=CCC[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1623969998 YDIAEYBQQCVCMG-KXBFYZLASA-N 426.535 1.594 30 10 IDEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1627264059 AJIGSNVWJQKFRM-OSCRUYLVSA-N 444.513 1.243 30 10 IDEE CC(C)(CC#N)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1629553498 CTSYEMUAFDZPIM-OAHLLOKOSA-N 449.982 1.478 30 10 IDEE CN1CCn2ncc(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)c2S1(=O)=O 1632532758 PYDYEVFXXJXEBY-UHFFFAOYSA-N 431.865 1.480 30 10 IDEE COc1cc(CNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)ccc1C#N 1636002016 YLDBCXLMTOJLJI-KRWDZBQOSA-N 430.505 1.946 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1640916056 IUUMAGKZEIVVOP-SFHVURJKSA-N 445.497 1.190 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)[C@@H](C)O)cc1 1644588143 XXNQQAWLATVULZ-XPGWFJOJSA-N 431.514 1.086 30 10 IDEE C#CCOc1ccc(CNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 1669083133 WIMCZXCRVPLUGH-IRXDYDNUSA-N 425.489 1.853 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)CC1 1671634776 JFUPWBMDPCLWFN-SREVYHEPSA-N 425.503 1.982 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 1675718727 BJEGJJQHDOTXBJ-JCNLHEQBSA-N 430.530 1.389 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(C)cc2)c2ccccn2)CC1 1680822721 ZDEOJYBBOOSDQG-FQEVSTJZSA-N 427.530 1.274 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1684732648 XIAKEDCHPLUVKH-QGZVFWFLSA-N 429.502 1.267 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)N1CCOCC1 1690093886 NFNABUFCKGVJBO-FQEVSTJZSA-N 425.533 1.765 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1690246990 YMLCLSQBCKIKHN-BQFCYCMXSA-N 432.550 1.588 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690670439 BPWZTFMPAQIYPR-MRXNPFEDSA-N 428.493 1.377 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690671269 SLNKEEQVYAHIFK-GOSISDBHSA-N 436.520 1.068 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690673903 IQDYMUSAXHRESZ-SFHVURJKSA-N 425.537 1.451 30 10 IDEE CN(C)[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CCSC1 1696606196 BWSGCNYOPSDARE-OAQYLSRUSA-N 431.610 1.968 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1696619552 XZGGFNBQQLOEAH-KNQAVFIVSA-N 433.576 1.888 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCN1CC=CCC1 1698060301 BITYQVUXAFWZMZ-UHFFFAOYSA-N 427.509 1.634 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1698188495 CFDNBFNZHJKCLW-WBVHZDCISA-N 448.549 1.387 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1705516416 ASHDMCKDJAYIGV-HXUWFJFHSA-N 449.621 1.532 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705559574 CWQOAPZRGQFTST-HOTGVXAUSA-N 442.607 1.386 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705647728 IYVOPNLCOZNPJA-QGZVFWFLSA-N 449.621 1.657 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(CC)CCS(C)(=O)=O 1705694071 NQVJSQPLKYIQOF-HOTGVXAUSA-N 427.571 1.268 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)CC1 1705705548 ITXFFJULWAGOBN-SIKLNZKXSA-N 446.596 1.540 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705879994 QTDSBVOLVIEDKR-UZLBHIALSA-N 436.534 1.160 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1705960154 IVMSNLNXVGFXOI-LJQANCHMSA-N 426.521 1.520 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1706188201 OAKHTMYXMQIJKN-WWOZWPLTSA-N 436.513 1.995 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1706556713 AZNRLZONLBCVGO-GOSISDBHSA-N 438.536 1.283 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1710778637 MWTHFPBZMORCSG-HWEPQYAMSA-N 444.536 1.909 30 10 IDEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1710799859 VIJSTAFZJLTFNM-GOSISDBHSA-N 439.520 1.759 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1712163663 VAHSWKXUBSINRO-QZTJIDSGSA-N 427.509 1.384 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1712453249 HATORTYNRRRCIW-UHFFFAOYSA-N 433.534 1.251 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCOCC2)c1 1722274311 JXWQHCAHMMCONA-IBGZPJMESA-N 436.560 1.853 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1722378598 GDVLASAYKMBMCH-IBGZPJMESA-N 435.557 1.886 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1722389397 GKXIDNXUNMMMKE-INIZCTEOSA-N 447.536 1.685 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1722428319 FEEYAQJUPNXGNQ-QGZVFWFLSA-N 442.545 1.271 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)NCCC)CC1 1722438974 JKSLWXHWLVIHBN-UHFFFAOYSA-N 430.503 1.819 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(C(=O)OC)CC2)CC1 1722566169 LJXKTMXWTPEURG-QGZVFWFLSA-N 437.566 1.815 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1722641130 XWUKDKPNFNHFJT-HZPDHXFCSA-N 425.530 1.870 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722694703 FJBBNHTZQUVPHW-SFHVURJKSA-N 440.548 1.997 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1722696516 AZNGLFPFHGQIEP-HNNXBMFYSA-N 437.504 1.202 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722700774 TZMFVSRXQHSGQJ-HNNXBMFYSA-N 430.484 1.587 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722740576 QSYAGHHEWAEKKS-IAGOWNOFSA-N 431.566 1.943 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCSCCCO 1723597171 NPWOKNNAJACTPR-UHFFFAOYSA-N 445.549 1.067 30 10 IDEE CCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729158854 DUNCOCLRLZSWLG-GOSISDBHSA-N 428.541 1.796 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C[C@@H]1C 1729791755 LZTSZNASYSXQHE-INIZCTEOSA-N 439.520 1.866 30 10 IDEE COC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1730592037 IJQFWSWNWYIFHC-MPOGACDISA-N 432.525 1.342 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(=O)C(C)C 1740610538 DYNQZJMIPCYHMX-QGZVFWFLSA-N 448.568 1.818 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1740692653 NPXGMBCEMGRCCK-URXFXBBRSA-N 444.624 1.950 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCSC2)CC1 1740706370 SQKBYWOIYTVSER-NVXWUHKLSA-N 430.578 1.338 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCC)CC1 1740840192 UFKJHGMFDNHLOC-GOSISDBHSA-N 441.598 1.830 30 10 IDEE CC1(C)COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1742007033 CTTLKPALVFBKNL-SFHVURJKSA-N 441.492 1.693 30 10 IDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1742641714 FUKRZTHJHNCRSF-SFHVURJKSA-N 437.529 1.781 30 10 IDEE CCOC1CC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2C(C)(C)C)(N2CCOCC2)C1 1746910409 CJHCASVGGGBXKZ-DKTYTTGXSA-N 432.569 1.574 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(NC(=O)OC(C)(C)C)COC1 1748638241 LMFLNXNQPPZKHI-OAHLLOKOSA-N 448.568 1.948 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1748663864 ARIDOZCDOHZMOA-INCQDFKNSA-N 426.546 1.901 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC(C)C 1748672105 QHNSKEBBZGFRAP-IRXDYDNUSA-N 427.571 1.132 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1748765434 HLTKHNCHSODQMB-WMZOPIPTSA-N 439.582 1.324 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1748814383 FDOQZIOPKHZWTG-HKUYNNGSSA-N 445.545 1.598 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(C)CCCO2)n1 1748971423 OUTWHVZCBITXGW-GCJKJVERSA-N 428.537 1.834 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748994804 RWVRWGAQUHLMHO-NRFANRHFSA-N 438.580 1.153 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCS(C)(=O)=O)CC1 1748999314 PJANXPXESHUCSV-UHFFFAOYSA-N 431.562 1.355 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(CC)CC)CC1 1749001721 ZVGRHGQTKKRMPH-UHFFFAOYSA-N 443.596 1.212 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1749116004 YHBHBWLHPRMPBC-NJAFHUGGSA-N 445.568 1.392 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1749461388 QKMOWYYCAXVIOI-KRWDZBQOSA-N 446.577 1.383 30 10 IDEE COC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1749565329 GTSIDLSZDYCRTR-RAJOGRCSSA-N 432.525 1.245 30 10 IDEE C=CCNC(=O)Cn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1749681770 IKVPURHUBPRZQW-YADHBBJMSA-N 449.552 1.007 30 10 IDEE C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C 1750346469 AVNKRTICCIZPMD-QGZVFWFLSA-N 437.548 1.594 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)n(C)c1=O 1760112317 DZQGCMQTKXLLPJ-KRWDZBQOSA-N 446.559 1.965 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@H]2OC)CC1 1760264497 QGGKIGPEIYKDEP-WIYYLYMNSA-N 443.523 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCC[C@@H](C)C2)CC1 1760268611 MNTMELACHPIBMA-GOSISDBHSA-N 436.564 1.433 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1760281109 YBVAGWCCHSGXPJ-UHFFFAOYSA-N 433.541 1.716 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760428575 YZJGAYJSYIVLPH-NVXWUHKLSA-N 436.582 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760552647 WASVSJHOUSGLLB-KRWDZBQOSA-N 449.577 1.659 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760566055 KCSXENGXFPKGDO-LSDHHAIUSA-N 448.636 1.113 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCS1 1766395796 BQXYWLKDPRWBMC-MRXNPFEDSA-N 430.582 1.950 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1769119868 GPLNOCOSGIRYPL-LZOZLHGYSA-N 430.509 1.517 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCOC1=O 1771293570 NUJLOUNXYSHYMW-ROUUACIJSA-N 432.525 1.974 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1854286676 IXHCZRNJVWUQIA-MSOLQXFVSA-N 436.509 1.342 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)cc1F 1854644649 LNCFWXXZSZFUDH-ZDUSSCGKSA-N 431.445 1.768 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862761634 OLNNXDPSTGBNCG-QGZVFWFLSA-N 444.396 1.888 30 10 IDEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870348722 JXLKUUJBMGPDFJ-UHFFFAOYSA-N 440.544 1.445 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCCOC)ncnc21 1875228336 KOCFCHNBUDMNOH-UHFFFAOYSA-N 436.520 1.818 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)NCCN3CCC(C#N)CC3)OCC(=O)N2C(C)C)cc1 1889830035 DRGDEJCPQDHZHS-VXKWHMMOSA-N 428.533 1.724 30 10 IDEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(COc2nccnc2C#N)CC1 1891307280 KPWSNUKJJDFZKC-HNNXBMFYSA-N 426.502 1.568 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1984990670 NMWBCOOAZXVKGM-JYJNAYRXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2060640808 ZDUORTWGBMWUDH-KBPBESRZSA-N 430.314 1.827 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2094083756 GKYVELOYFHHLBU-UHFFFAOYSA-N 433.137 1.530 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2098184315 YTIXHDGOAHOKFR-SNVBAGLBSA-N 435.153 1.825 30 10 IDEE C#CCn1ncc(NCC2(OC)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2105976389 QKPHWAGEVJVCQQ-UHFFFAOYSA-N 427.299 1.687 30 10 IDEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c(Br)c1=O 2122546727 BIJOZRBQKGLQTN-QWHCGFSZSA-N 427.299 1.685 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243372947 RUQXRHZQKQUHCT-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243697306 XYJHQDFWDSRYES-GHMZBOCLSA-N 426.348 1.747 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255638956 CENSWSJULVRQQS-OAHLLOKOSA-N 430.314 1.681 30 10 IDEE CCC1(NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255815204 KEIJARWGSVQQPO-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256061499 PAVPVWDPRAACOJ-UHFFFAOYSA-N 436.293 1.465 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267009770 OJFTUHASHQRHDY-PMPSAXMXSA-N 448.325 1.943 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267222566 BVOCTOHYDYBPMT-IUODEOHRSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267270644 MSXGACPKQZYJFI-CABCVRRESA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267516918 LCQCXXCXVIZCQS-KSZJFAHPSA-N 448.329 1.119 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2267567918 NRLOTPINSVBUEU-LVQVYYBASA-N 449.357 1.805 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 2267606510 YRTDIYBFSRFXIZ-KBPBESRZSA-N 449.361 1.680 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1 2315533794 NULASYCSOFVEDB-UHFFFAOYSA-N 438.309 1.408 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2315602027 LOKWYGKPNKCQRX-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE Cn1cc(C(=O)N[C@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2320428122 QLAWRIRGZUMTCE-QGZVFWFLSA-N 429.326 1.417 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2cn(C)c3cccc(C(=O)OC)c23)c1=O 2321656249 QULAELJOIZSRSM-UHFFFAOYSA-N 429.458 1.193 30 10 IDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc(O)c(O)c2)o1 2330761549 KIDQWVZBEWCUQV-UHFFFAOYSA-N 445.457 1.880 30 10 IDEE CS(=O)(=O)C1(C#C[C@@]2(OCC(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)CCC1 2367787408 LNNGUKXUILQPFQ-UTKZUKDTSA-N 435.498 1.886 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cccc(Cl)c1 72443817 SZXSCBCMSGAIJS-KGLIPLIRSA-N 426.864 1.349 30 10 IDEE Cn1cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)ccc1=O 445616191 NNCCDVJHJBVQDW-UHFFFAOYSA-N 425.470 1.875 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 462092282 LKCFWJCAVDSJPM-UHFFFAOYSA-N 425.474 1.711 30 10 IDEE N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 472442171 JAYQXFSMOWTCPI-XPWALMASSA-N 427.508 1.956 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 477135586 RBRSQZCJPCQWTL-GOSISDBHSA-N 425.537 1.669 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 478435693 PINLSPAAZCYYKV-OAHLLOKOSA-N 437.518 1.043 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 482808664 DCQAYJCXOCGPSD-WBVHZDCISA-N 428.514 1.629 30 10 IDEE CC(C)(C)c1nnc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 484999032 XJVXBNGAWCIVRT-UHFFFAOYSA-N 448.574 1.652 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)CC1 495259019 IIKWSFAKDIANLN-UHFFFAOYSA-N 437.485 1.677 30 10 IDEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 502013436 ZPTIXQVZCJITGH-UHFFFAOYSA-N 437.930 1.977 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505736150 MMNHCKKUATWTCK-IBGZPJMESA-N 440.522 1.386 30 10 IDEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 506323475 AALXRQWQUJRPLI-OAHLLOKOSA-N 428.518 1.454 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2F)CC1 508465947 RSJCRIDNFONMSB-GOSISDBHSA-N 430.484 1.452 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 508791350 AOJQWYFCYHKENW-SJLPKXTDSA-N 435.525 1.930 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccs2)c1=O 514835849 RVLLQDCZJBKFHB-UHFFFAOYSA-N 437.546 1.631 30 10 IDEE COC(=O)c1cccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C#N 534486537 CJVOIGYOHKOQMS-UHFFFAOYSA-N 444.469 1.760 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](S(=O)(=O)NC4CCCC4)C3)cc2C1=O 541937049 GEADMNMUSSGHRI-QGZVFWFLSA-N 445.541 1.935 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@H]1CCCO1 603798515 MHPBYCPQUQIMBP-GOSISDBHSA-N 446.532 1.419 30 10 IDEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 604104366 WGSRFZCVLYGFST-INIZCTEOSA-N 442.545 1.796 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@@H]1CCCO1 611916196 OSTZHXVVMULAFK-SFHVURJKSA-N 446.532 1.419 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O 725538339 BUNICUITCWNNLX-ASSNKEHSSA-N 438.436 1.882 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 728890007 XSUZHPNRZMQAKA-MRXNPFEDSA-N 427.505 1.549 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ccccc2)C1=O 731652569 QUEIDSIPSJGMFN-QGZVFWFLSA-N 426.498 1.427 30 10 IDEE N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCN1C1CC1 732664152 LKEZSZDFFXYBMR-AWEZNQCLSA-N 446.451 1.452 30 10 IDEE N#C[C@H]1CN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1C1CC1 732664413 IMPXYWXBFXSENQ-INIZCTEOSA-N 444.479 1.963 30 10 IDEE COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c(OC)c(OC)c1 747497524 GFNFPAXIEDQZIN-UHFFFAOYSA-N 427.413 1.626 30 10 IDEE C[C@@H](CC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 749921408 OAWMLQFOERUAMY-NSHDSACASA-N 443.451 1.915 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 760318083 QGNPUMJNHQNRDM-ZBFHGGJFSA-N 428.518 1.430 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 764642970 VCVNDOVSIALQRO-UHFFFAOYSA-N 446.533 1.229 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCCNc2ccc(C#N)cn2)C1=O 771266582 KEIZGAGDFIPTJE-QFIPXVFZSA-N 436.472 1.266 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)c1 781102557 QZKMBZZGGMISBO-UHFFFAOYSA-N 427.461 1.307 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccsc1 783065165 WJKUSKRHTYJYTG-LOWVWBTDSA-N 440.547 1.272 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)n1 790109339 XBNTWWPPWRFRSI-UHFFFAOYSA-N 444.513 1.358 30 10 IDEE CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 794435794 XSTAOKGGVNDHML-MRXNPFEDSA-N 447.540 1.637 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)nc1 813728958 CDGQITLEYWJLKP-SFHVURJKSA-N 442.497 1.757 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CCc1c(C)nc3c(C#N)cnn3c1C)CCO2 1133446084 QTTOOWCEVMPFQJ-YSJWXEPDSA-N 425.489 1.767 30 10 IDEE Cn1cc([C@]2(CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCCO2)cn1 1134580976 FAZQKLPFEMRMBZ-XMSQKQJNSA-N 436.472 1.319 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(Cn3cncn3)cc2)s1 1141606653 JRKSKKRYISDKCD-UHFFFAOYSA-N 431.543 1.711 30 10 IDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F 1175873992 SQWMSHJXRMXSLT-KCJUWKMLSA-N 426.260 1.293 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)C1 1233850728 CUXWQGBVEJCYHP-YZVOILCLSA-N 426.539 1.356 30 10 IDEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(Br)cc1C#N 1264226063 RPXLXRNHLNXTTQ-OAHLLOKOSA-N 442.335 1.015 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1286474867 SHFBBRMLNREJLV-UHFFFAOYSA-N 448.980 1.574 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1286725345 RKBUVANCBTYDFT-KRWDZBQOSA-N 445.593 1.899 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[C@@H]1NC(=O)NC1=O 1286731436 MWWROTUUCKAYEF-ZNMIVQPWSA-N 447.540 1.659 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OCC)C1 1286814180 MMDSVDMJJNEXPU-INIZCTEOSA-N 448.549 1.532 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1=O 1287751347 FUSAWUSOHXBGHB-QFIPXVFZSA-N 440.573 1.989 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1288953037 PKLIGBFRCOMRFV-UHFFFAOYSA-N 425.488 1.517 30 10 IDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1=O 1289201306 KEGFIEXQDWLGTJ-JMERFSKESA-N 437.905 1.098 30 10 IDEE COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCC[C@H](OC)C1 1300215071 MTWNUYZFJJYNGA-GDZNZVCISA-N 426.466 1.600 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300486774 AZCMDXPPMCHIEM-HNNXBMFYSA-N 443.558 1.369 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1300494973 AQPRTQPCEQTBRA-IRXDYDNUSA-N 447.561 1.706 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300496294 PMXBVQYITDFKSO-RTBURBONSA-N 438.594 1.862 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1300630263 ABGXKJKWQNLSNS-INIZCTEOSA-N 444.540 1.706 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1300767582 AAISRQCUIQTDJK-PXNSSMCTSA-N 443.621 1.663 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1300928899 PWIFNSKKINOZNA-KBPBESRZSA-N 439.542 1.549 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1301108051 MYXLQLJWBFBBOF-UHFFFAOYSA-N 429.613 1.943 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301415455 VIRVIUHDZBHUAU-NRFANRHFSA-N 434.562 1.696 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301491889 PYZOPDIPWBTOEU-INIZCTEOSA-N 427.440 1.656 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C2CCOCC2)C1 1301509402 GUFHOYLBYVHRJK-LJQANCHMSA-N 427.553 1.695 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301594550 GSLAPGNTJJBNGC-UONOGXRCSA-N 430.490 1.959 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)C2)c1 1301639755 RFNQTFLBOFTGEX-UHFFFAOYSA-N 440.525 1.640 30 10 IDEE CC(C)CC(=O)N1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1302721170 LMXSJAITKOJDNR-IBGZPJMESA-N 439.516 1.870 30 10 IDEE NC(=O)[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1303024668 LLFJREJWRONWLS-WATITHJCSA-N 427.509 1.164 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1303946413 CBRVRDGMHKEKLO-GOSISDBHSA-N 435.410 1.197 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1304763955 HZSSSXVTHNSYIF-GPMWBCNRSA-N 442.499 1.460 30 10 IDEE C[C@H]1C[C@@H](C)CN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1304924581 INGHKOMJFMUVIT-FCGDIQPGSA-N 429.569 1.716 30 10 IDEE COc1ccc([C@H]2CCCCCN2C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1 1307388797 IWPVYADSBAUCFT-HXUWFJFHSA-N 440.500 1.335 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(C#N)c(=O)c3cc([N+](=O)[O-])ccc32)C1 1318481396 NBSSDNZRFIUUJD-QGZVFWFLSA-N 427.461 1.254 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1COCCO1 1358876923 SZJJADBXPSZPRT-WMZOPIPTSA-N 447.561 1.459 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358962381 OWXJZINWKPUMQQ-OALUTQOASA-N 439.541 1.569 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358965370 TXKYOMLSGPWCGG-RXVVDRJESA-N 429.546 1.052 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3C)n2CC(=O)N(C)C)n1 1359027334 FQTCAIPYHNVVNG-UHFFFAOYSA-N 435.532 1.824 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)CC1 1359036483 XPNDIOQFTIKOKF-QGZVFWFLSA-N 449.527 1.456 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359210186 MGEMWZAMHBGOSY-KRWDZBQOSA-N 444.561 1.871 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2C[C@H]1CO2 1359292955 BXZLRSQPOBHPGJ-KBPBESRZSA-N 435.326 1.716 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)ccc1F 1359331994 MAFALZJLQSRPPO-KRWDZBQOSA-N 435.525 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCOC1 1359334096 SIMVCTDHQVUNFJ-QGZVFWFLSA-N 444.561 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359334587 KRCBEXDAXFOWAS-RBUKOAKNSA-N 443.573 1.379 30 10 IDEE CC(C)N1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1360152488 MWECLWISYJRXIK-JLUOLNIDSA-N 443.552 1.229 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 1442746516 GHBGLKFTQLNCIB-KRWDZBQOSA-N 441.509 1.759 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1 1455006928 MQRSIQCTHIHUSV-UHFFFAOYSA-N 439.497 1.980 30 10 IDEE CNC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(F)cc1C 1457881645 RMWJQLJXYKFSEI-QGZVFWFLSA-N 446.504 1.005 30 10 IDEE COC(=O)c1cc(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1463162755 FWGCFYAUINDTMS-BLLLJJGKSA-N 427.276 1.246 30 10 IDEE CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cc1C 1464067669 AJHCHWMVNHKXLD-UHFFFAOYSA-N 440.572 1.347 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1470227276 YOIRNZWEPLOZPE-OPAMFIHVSA-N 446.935 1.297 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)c1 1471232083 TYEHLZSJYVACFB-QFIPXVFZSA-N 441.553 1.799 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1Cc1ccc(C(N)=O)nc1 1503461410 AMLPRAMGDXIFMI-UHFFFAOYSA-N 425.456 1.785 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507533115 IIXYIKBGVWFUDU-PBHICJAKSA-N 431.518 1.170 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1507538230 LCIQWOZUPJTNLG-FUHWJXTLSA-N 432.550 1.015 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1N1CCOCC1 1507545792 AYHNJOOSVULROD-IHPCNDPISA-N 440.548 1.740 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ncn(C)n2)CC1 1507721124 OPEKOPZJHOOBJP-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1507794891 BDMUVLVOMQOQRA-GGPKGHCWSA-N 433.553 1.448 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1507863454 GJVREFDXFXQPOV-OAHLLOKOSA-N 446.943 1.887 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507869346 RHADATBEGLPJMO-UHFFFAOYSA-N 430.987 1.858 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508137908 SUOWXJLUJPZJKA-INIZCTEOSA-N 429.550 1.677 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1519606397 LGJJKMCYKBCLQS-SFHVURJKSA-N 444.561 1.497 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2F)CCO1 1521128920 HJERHHBKMZHTBG-IAGOWNOFSA-N 433.509 1.681 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)O1 1538455729 FWHIUWFUIPVYLD-DFQSSKMNSA-N 427.505 1.572 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1539180283 YXFQDJDMKCJTID-INIZCTEOSA-N 434.541 1.571 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1539202405 HXDCBOIOJSQCTM-MSOLQXFVSA-N 437.610 1.049 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539774875 GCFBTSIAYLKMIF-CVEARBPZSA-N 447.005 1.189 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(COC)n2)CC1 1539875391 XFGKNUZNLCEPFZ-CYBMUJFWSA-N 440.595 1.942 30 10 IDEE C=CCn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1540860947 VHQICYFDXNZBEN-KKSFZXQISA-N 429.525 1.514 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540903129 ZACZTKJTBDHYPX-HOTGVXAUSA-N 446.595 1.134 30 10 IDEE C[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)N(C)C 1541869302 ORUZNWAUOASPHW-WCXIOVBPSA-N 433.557 1.728 30 10 IDEE CN(OC1CCCC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554324765 ZCBVHQDRMCFSOQ-HTXNQAPBSA-N 443.508 1.351 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C[C@H](C)O1 1555384986 AGZNVZYFTSKUKZ-WFXMLNOXSA-N 440.548 1.778 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1555730222 AHQRCCCRCKYEOP-ROUUACIJSA-N 448.549 1.059 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1CCN(C(N)=O)C1 1556521541 DAPBHWDYRPAXLP-YJBOKZPZSA-N 427.505 1.909 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)cc1 1557880871 WOYNDRJYPMWNEG-UHFFFAOYSA-N 439.534 1.211 30 10 IDEE Cc1ccc(C(=O)Nc2ccn(CCN3CCNC3=O)n2)cc1B1OC(C)(C)C(C)(C)O1 1558477328 RHTAFQQROWARGT-UHFFFAOYSA-N 439.325 1.768 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc21 1558512306 XCTHWNVZBBEHCO-KKSFZXQISA-N 431.514 1.995 30 10 IDEE C=CCN(C)CCN(CC)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1561734319 WCNHXPVRYIVJGV-UHFFFAOYSA-N 432.344 1.629 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1565182478 CUJXOKBJJXLNSI-UHFFFAOYSA-N 432.525 1.716 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1 1566318196 VNKFZAVYWCPDJA-UHFFFAOYSA-N 448.451 1.964 30 10 IDEE CC(C)(C)OC(=O)[C@](C)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1 1583586201 HEYQSIIGMDCWHS-JOCHJYFZSA-N 426.473 1.626 30 10 IDEE C#CCCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1587794076 ZWWOSWSEWXCRAQ-ZJSXRUAMSA-N 444.624 1.950 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1587864969 DVIGFYOFGDOASA-UHFFFAOYSA-N 433.516 1.878 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1588138641 GZJWXIXTLVWZDJ-QGZVFWFLSA-N 429.521 1.574 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 1588199211 JGXDFBLGGSDYPW-UHFFFAOYSA-N 437.319 1.223 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1588673481 PJEPNXJNBWDLMO-GCJKJVERSA-N 431.537 1.215 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1588800995 UJTAQOGWPXWJCY-UHFFFAOYSA-N 437.592 1.985 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(O)CC1 1594896148 UFDATQQSNNQNLI-UHFFFAOYSA-N 433.578 1.818 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1595496884 JRTFYHHHRBDUEL-LJQANCHMSA-N 429.521 1.886 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCC)c2)C1 1595715570 YMIFRYRRDUQHFP-MOPGFXCFSA-N 438.532 1.809 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)C1 1595743724 FDVRNLHEKFKAJE-DLBZAZTESA-N 447.561 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(Cn2cncn2)CC1 1595785140 RGRIKHKBESOJHE-UHFFFAOYSA-N 444.565 1.393 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1 1595789947 FZIPYDJNOVEXBT-GOSISDBHSA-N 448.545 1.518 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)NC(C)(C)C 1595798901 VEKSJPVSHSIJMF-OAHLLOKOSA-N 427.571 1.124 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CCCNC4=O)CC3)CC2=O)cc1Cl 1596909570 CGAGGNRYLJTEKH-OAHLLOKOSA-N 429.908 1.971 30 10 IDEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598566901 BAIMBDWRFWAVIL-HRAATJIYSA-N 433.530 1.764 30 10 IDEE CC1(C)C[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1611780928 DEECFWPHGBZOGU-SJORKVTESA-N 436.582 1.787 30 10 IDEE CN(C)[C@@]1(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)CCSC1 1617659123 CUYABTGHBOEROG-OAQYLSRUSA-N 431.610 1.968 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(n4cnnc4O)CC3)C2)C1 1618611914 FTUZRHYLUIDBGT-FAGJFJLWSA-N 430.509 1.934 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1618836125 BXGLXTGUVSHFHO-UHFFFAOYSA-N 436.476 1.535 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@](CO)(C(F)(F)F)C2)CC1 1620566236 OPIRQMNKMDWFOK-PKOBYXMFSA-N 428.430 1.781 30 10 IDEE COC(=O)Nc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1625719814 PYGKHBUXIGQUHK-UHFFFAOYSA-N 430.486 2.000 30 10 IDEE CN1C[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1632830870 UCMMIHSOYYRAMA-OAHLLOKOSA-N 433.534 1.346 30 10 IDEE C#CCN(C(=O)c1cnc2nc(O)nc(O)c2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1634814182 MESZWMKIQOARDX-UHFFFAOYSA-N 427.461 1.911 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1 1640762644 NVXZDOCIEPRHNG-HSZRJFAPSA-N 448.435 1.598 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N[C@H]2C(=O)NCC23CCOCC3)cc1OC 1645167358 VYQNBCOQESUUAP-FQEVSTJZSA-N 433.505 1.636 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C#N)C1 1648503338 DTBKBGUXRUOGEI-PJSUUKDQSA-N 432.571 1.943 30 10 IDEE C#CCN(C(=O)c1cccc(CS(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385195 NYABNVJGTCUSLG-UHFFFAOYSA-N 435.546 1.950 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1=O 1652998320 NZMXVAHAOQIJTM-WBVHZDCISA-N 430.505 1.405 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C2(CC2)C1 1653752980 KGAOPDMIZLNJJY-MRXNPFEDSA-N 434.518 1.352 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C1 1666053681 WFKIEXVCRARANA-SFHVURJKSA-N 439.603 1.546 30 10 IDEE C=CCc1cc(CNC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc(OC)c1OC 1677967163 SUJODPHPTHXJOF-QGZVFWFLSA-N 437.504 1.948 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1690034412 HHPDMAGIJFJNJD-JOCHJYFZSA-N 426.521 1.970 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1690045267 HYIMWDRNASHZGD-IBGZPJMESA-N 432.484 1.697 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C)n(C)c2=O)CC1 1690128674 HZJSFLNTNPXUGH-UHFFFAOYSA-N 446.555 1.688 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2(OC)CCC2)CC1 1690142882 WOLPJRWGFQOPDU-UHFFFAOYSA-N 425.537 1.604 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2)CC1 1690144183 OMHJIYZPERLVQB-SFHVURJKSA-N 440.935 1.897 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccn(C)n2)CC1 1690146808 XHFDXMNKXULBQQ-LJQANCHMSA-N 425.537 1.462 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@@H]1CC 1690234402 CQHZGFWUHWAGKI-IHRRRGAJSA-N 428.331 1.626 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1690597243 NIXQEJVEEMNPMS-ROUUACIJSA-N 446.577 1.759 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690673101 OHHKAGWJZPVSBQ-KRWDZBQOSA-N 427.509 1.281 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690733493 GHSSUXNCWMNNCA-HNNXBMFYSA-N 427.534 1.656 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 1692661851 FUNSJXBKEXMGSB-INIZCTEOSA-N 437.552 1.717 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1693218163 GWJRYMUYULDKNB-OAQYLSRUSA-N 428.468 1.466 30 10 IDEE CCC(O)(CC)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1694419613 GZZIOZHNSDDFOQ-DLBZAZTESA-N 440.552 1.710 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1695065269 NIDOLMWKBHFKRP-FJIDUMEYSA-N 434.541 1.283 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1705560168 DYJRXBMTWVGATA-UWJYYQICSA-N 427.574 1.660 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCCC)CC1 1705632748 AOYKTNPPHFLANW-KRWDZBQOSA-N 428.512 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccco2)CC1 1705644029 FURSKGRLNWNEGK-UHFFFAOYSA-N 426.521 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2[C@@H]2C[C@H]2CF)CC1 1705645056 KANDPHJKCSBONO-SVMVAKDDSA-N 433.528 1.815 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1705743590 BXIIZJLGOGSJBH-UHFFFAOYSA-N 438.532 1.585 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705767740 GDDHOXAAKZJWKE-GOSISDBHSA-N 426.496 1.884 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1705834359 JIRYMZFCNWJWOW-CQSZACIVSA-N 434.522 1.515 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](COC(C)C)C1 1705898161 CMYHAAQZPTUWOO-INIZCTEOSA-N 434.928 1.926 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1705907062 YPRDGMYUPALGPE-UHFFFAOYSA-N 440.504 1.547 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705907422 MGWDSZVALCCMGJ-HZPDHXFCSA-N 444.561 1.720 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)CC1 1705937097 INUHWEJTXFINMH-UHFFFAOYSA-N 432.594 1.643 30 10 IDEE CC(C)(O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1706198135 FJPDMGNPEZXBOJ-INIZCTEOSA-N 432.912 1.751 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(O)c1 1706621001 CTWNXZVAANILIK-UHFFFAOYSA-N 446.515 1.763 30 10 IDEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 1706902759 DVUZWYVTHUUPHF-QFIPXVFZSA-N 436.472 1.556 30 10 IDEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCOC1(C)C 1708272783 IELXHWPWWSFLNP-HNNXBMFYSA-N 448.549 1.282 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1709840203 JBRDSUINFJWXHD-XLIONFOSSA-N 437.548 1.500 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1710898544 FQEXAVFHPUBABB-QFBILLFUSA-N 443.577 1.429 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1722277444 NKUDDJRJUNDWED-IAGOWNOFSA-N 444.605 1.445 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1722360715 JEVSJKYIEZEHHW-INIZCTEOSA-N 434.591 1.591 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1722373469 NOXPJCAEGNTHRF-AWEZNQCLSA-N 435.937 1.671 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C1CCC1 1722380348 JZNBTYKUCDGXIQ-UHFFFAOYSA-N 443.511 1.973 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC=CO2)n1 1722427139 HSRYRZHHZGJQOE-FQEVSTJZSA-N 436.520 1.854 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C 1722678553 BQFMYXOBPIKFCS-UHFFFAOYSA-N 425.331 1.773 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722725296 IKEJFTBLAYZVNQ-SJORKVTESA-N 432.502 1.968 30 10 IDEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N1CCOCC1 1723109951 GAFNWARULGEZCO-FQEVSTJZSA-N 437.548 1.500 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc(N(C)C)cc1 1723916105 TYDVDXPJCINIMZ-HZPDHXFCSA-N 433.582 1.935 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1730997498 FTRCQDOBZKFIJF-MOPGFXCFSA-N 445.545 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1740533813 UNRQCLLLLJFUHN-HZSPNIEDSA-N 436.607 1.976 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740615794 LFTXMAOOWSDZLO-MSOLQXFVSA-N 449.577 1.516 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740623029 NBFUAMBBDNXJHQ-GOSISDBHSA-N 444.561 1.569 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1740624912 MUNOTNGDTGXEKB-KRWDZBQOSA-N 447.586 1.083 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCCN2CCOCC2)CC1 1740701820 DAHSXWZUSYYXIY-LJQANCHMSA-N 430.597 1.870 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1740731628 DZEZSAULHICQDQ-MBOZVWFJSA-N 435.550 1.296 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740889573 PLKYHVPJTLWFPN-DLBZAZTESA-N 441.598 1.612 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCN(C)C1 1740917380 QJSDFEFMIRHLOP-DEOSSOPVSA-N 449.559 1.531 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C 1740924346 NUTNMXQOYXCXKX-FQEVSTJZSA-N 443.596 1.212 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1740964140 JAKZXYUXHHQFCO-KRWDZBQOSA-N 440.483 1.731 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1746553019 CIEKMIVOGSKJKH-UHFFFAOYSA-N 425.493 1.574 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCOCC1 1748684236 FKCZJQTYOOJQTG-SJORKVTESA-N 430.578 1.696 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1748759353 HOKVDUAJJBRTGI-LJQANCHMSA-N 442.545 1.660 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748805897 YBELHEOJVNAPRH-MSOLQXFVSA-N 437.610 1.529 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c(OC)n1 1748806660 BMGLUKTWSWPFPV-ZFWWWQNUSA-N 434.522 1.237 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1n[nH]c(C)n1 1748890294 MMPOSMCTHJTWMA-UHFFFAOYSA-N 444.547 1.584 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1(C)C 1748963050 XHSYWZPSCQQRMM-JKSUJKDBSA-N 426.608 1.798 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC=CCO2)n1 1748971298 KZYQLLISNBQTHM-OALUTQOASA-N 439.520 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN2CCOC[C@H]2C)CC1 1749009309 HQYGBLNUIJKBNK-GOSISDBHSA-N 428.581 1.622 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1749230206 UZVFIAFBUJEYIA-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1749489191 SBYGZSVSQJKLEB-MAUKXSAKSA-N 441.579 1.202 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1CCOC1 1750954443 RYDJVACFBXMMNO-AWEZNQCLSA-N 425.493 1.378 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncnn1C(C)(C)C 1760175853 SWIXFAGOXJGUQC-UHFFFAOYSA-N 434.552 1.916 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1760184472 XOWAGKNDLYLMFD-CQSZACIVSA-N 434.909 1.305 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760450888 VBQMZHCZMMAKDB-QGZVFWFLSA-N 427.571 1.584 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1762702675 YOJVHYMLMWACEK-LPHOPBHVSA-N 440.504 1.201 30 10 IDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 1763197742 AESXKEBSBOHXGZ-QZTJIDSGSA-N 437.548 1.642 30 10 IDEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1764130624 HRRJWBMFYNABJN-INIZCTEOSA-N 432.550 1.999 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1766183465 CFDGFPATBONBQT-SFHVURJKSA-N 433.520 1.736 30 10 IDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1766519706 ZENKIIJFHMNIES-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1771289361 QPMAXXIXMOUICE-PMACEKPBSA-N 445.612 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOC[C@@H]1C 1772567220 NZIZYXASLRFAGX-IRXDYDNUSA-N 448.568 1.920 30 10 IDEE CN(C[C@H]1CC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1856235669 NMMBZGPSORYSIH-DGCLKSJQSA-N 428.390 1.134 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)[C@@H](C)C2=O)CC1=O 1856358861 KDJYPVBXUCHEEL-RDJZCZTQSA-N 433.530 1.032 30 10 IDEE C=CCNC(=O)[C@H](CCC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861748430 VJGSXIYIIGIDFU-KRWDZBQOSA-N 443.953 1.562 30 10 IDEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCO)cc1O 1862609571 PSURBRFJNIKOKN-LJQANCHMSA-N 427.409 1.743 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 1867821853 PVVXMOBKOOYHKD-DLBZAZTESA-N 441.400 1.592 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC 1870098305 XLUCRAWTXXMBGM-UHFFFAOYSA-N 430.402 1.865 30 10 IDEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)cc2)c(=O)cc1CN(C)CCO 1870643262 MLLFLTJLAVRHDD-UHFFFAOYSA-N 429.517 1.205 30 10 IDEE CC1(C)OB(C=C2CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1961612717 GDFNEDOLDPXPIO-UHFFFAOYSA-N 446.334 1.876 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1984989700 GESPQLOHFCASRR-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1984989981 HWPSLWJLAPTWGI-PMPSAXMXSA-N 425.526 1.780 30 10 IDEE N#Cc1ccc(I)c(I)c1[C@@H](O)C(=O)O 2060278751 KRCWPWFMMATYKM-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)CC(F)F 2247876458 POHBRAMDOIXUJS-UHFFFAOYSA-N 442.297 1.570 30 10 IDEE C[C@H](COCc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247954385 XYQWBSXOJVIFDE-OAHLLOKOSA-N 435.355 1.603 30 10 IDEE CC(C)(C)OC(=O)NC1CN(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248403689 IFTXCBBQSUTEQQ-UHFFFAOYSA-N 438.359 1.861 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)n1 2255658856 KCRBUSOHASVDBR-UHFFFAOYSA-N 433.314 1.970 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)o2)OC1(C)C 2255845007 FMIKPFHBXRKPNR-SFHVURJKSA-N 425.338 1.783 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256061818 KVWMMZPTLLJUON-KGLIPLIRSA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2256718258 PSYXIQUUDYLFMT-ARFHVFGLSA-N 438.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H]2COC[C@H]12 2267284454 CRUIIVKUUFCKEE-KFWWJZLASA-N 448.325 1.943 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)n1 2267505531 JVJIUVZHKCBOPA-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267585163 QXSGVKDCGQGFQR-NWDGAFQWSA-N 442.247 1.447 30 10 IDEE C=CCN([C@@H](C)COC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270511171 YPOYMANGLKEYIH-DOTOQJQBSA-N 428.507 1.307 30 10 IDEE C=CCN1C(=O)C(=CNc2ccc(C(=O)OCCN(CC)CC)cc2)C(=O)NC1=S 2295916653 VRSCQHRBYDEQSS-UHFFFAOYSA-N 430.530 1.910 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2315534906 VRNQDNFIJILEBM-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@@H]4CS(=O)(=O)[C@H]4C3)c(Br)c2)OC1(C)C 2336518877 BECHZKGFSXSGNA-MFKMUULPSA-N 429.145 1.377 30 10 IDEE C=CCN1CCC(NC(=O)CCn2c(=O)c(N3CCOCC3)nc3ccccc32)CC1 222912810 JPTQSTVFIRZVTB-UHFFFAOYSA-N 425.533 1.390 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 461744493 ARTKCMXZQLNRPN-UHFFFAOYSA-N 426.458 1.316 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 464861886 GLDRJCOSJPOJDU-GOSISDBHSA-N 447.543 1.280 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCCCn2cc(Br)cn2)CC1 472318753 NTEWXEPHZGSABW-UHFFFAOYSA-N 427.347 1.055 30 10 IDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481219248 CUZDPBGYZQUSOE-HOTGVXAUSA-N 434.562 1.624 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 482809369 MVTRAKFVWNKURL-HIFRSBDPSA-N 433.921 1.669 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 514330114 VAKZRXASIKTHGG-HNNXBMFYSA-N 431.583 1.734 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1C[C@H]1CCCO1 514921306 IWEMQWUYRUXSHU-GOSISDBHSA-N 425.554 1.680 30 10 IDEE COc1cccc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)c1 520597209 ALYOKKQAYRDGOG-KRWDZBQOSA-N 428.514 1.488 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 522385435 ZRNQPYMMSUMESV-UHFFFAOYSA-N 440.569 1.145 30 10 IDEE Cc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(C)c1OCC(=O)O 544935996 GTRWCHWSNFKGNX-UHFFFAOYSA-N 425.507 1.003 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H]3CCCO3)CC2)c1 566385119 UBWPRRIYUIGWOF-GOSISDBHSA-N 436.520 1.286 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@@H]1CCCO1 603798252 KIQIRHPWPPURRB-ZDUSSCGKSA-N 449.935 1.909 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1Cc1ccccc1 609220048 XZBYFOPDXGZBOG-UHFFFAOYSA-N 445.544 1.921 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1C[C@H]1CCCO1 610487376 NKTFYYGRYUOJIS-DJIMGWMZSA-N 439.537 1.610 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1-c1ccccc1C#N 618460655 GTMYQRHMVGWTBF-UHFFFAOYSA-N 430.489 1.337 30 10 IDEE C#CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 729331167 KDBQVXQMTBAGMP-MRXNPFEDSA-N 429.464 1.966 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729459239 KPUYUMCADRBGJC-LLVKDONJSA-N 444.293 1.367 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cscn2)C1=O 730145336 ZNVAYLMCKFJKTJ-OLRQPGBRSA-N 446.602 1.649 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1C1CC1 732649347 SWGTYDWJTLMQJO-NHCUHLMSSA-N 426.565 1.334 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3nccn3Cc3ccccc3)nc2)CC1 734092119 UZBDJKHFWRCDOQ-UHFFFAOYSA-N 439.545 1.709 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742553190 AAMVYECPWQJXEC-OHFALNGGSA-N 433.530 1.836 30 10 IDEE COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 747045959 DCEYMPJPSXHIFW-UHFFFAOYSA-N 432.502 1.753 30 10 IDEE COC(=O)[C@@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1cccc(C#N)c1 751656122 IFPOASRWBAWKMA-SFTDATJTSA-N 447.447 1.791 30 10 IDEE C#CCN(CC#C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)cc2)C1=O 752302341 IPPZKMAOAKYZTM-CYVLTUHYSA-N 425.510 1.806 30 10 IDEE CCc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 754347745 UXOZDZFCOJLSOY-UHFFFAOYSA-N 449.467 1.298 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)ccc1F 772480981 IMAJGDXZIGNPMI-KRWDZBQOSA-N 436.509 1.854 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1)c1cc[nH]n1 772518758 VNWDNYKABPIOFY-MRXNPFEDSA-N 445.520 1.335 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 780203381 BUVNXRXLZBIRMY-NRFANRHFSA-N 427.501 1.822 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 781649563 SBUSTOFIODRMEB-GOSISDBHSA-N 448.548 1.999 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 784119418 UUESQWQBHXMLSA-IBGZPJMESA-N 430.574 1.953 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 790163861 XGZMWZQNQDHXEJ-NSHDSACASA-N 439.433 1.303 30 10 IDEE N#C[C@@H](C(=O)Cc1c(F)ccc(Br)c1F)C(=O)N1CCS(=O)(=O)CC1 800392296 MGURIJINSFUUCZ-JTQLQIEISA-N 435.246 1.236 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCO3)CCO2)c1 802689067 JLYCYLFBTNYQPM-AABGKKOBSA-N 425.489 1.995 30 10 IDEE Cn1cc(N2CCN(C(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC2=O)cn1 807248526 AMVHBIPUMISXDA-UHFFFAOYSA-N 448.508 1.512 30 10 IDEE C/C(C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)=C/c1cccc(C(F)(F)F)c1 807978902 HIXRZZKHKNDVDW-ZQCHKCTOSA-N 430.408 1.470 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CNCN(c2ccc(Cl)cc2)C1 809891979 FYWJXZHDFTWABO-ZDUSSCGKSA-N 425.946 1.516 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 812190325 WBPNEVLESRWAPB-BTYIYWSLSA-N 434.541 1.864 30 10 IDEE CN1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849498101 RZAYBQGKMFLZHR-ZWKOTPCHSA-N 449.515 1.924 30 10 IDEE CCN=c1nc(NCC)n2c(SCC(=O)N[C@@H](C#N)c3ccc(F)cc3)n[nH]c2n1 919700146 HTTTYCNCZBNVTA-ZDUSSCGKSA-N 429.485 1.417 30 10 IDEE CC(C)O[C@@]1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 1134170564 NSTQSDCMNVYQOV-OAQYLSRUSA-N 435.546 1.659 30 10 IDEE CN(CCCO)C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1137935112 FLROOPSEXGVBDC-LJQANCHMSA-N 427.505 1.068 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1142187197 CWFSPMCMMIFLDY-AWEZNQCLSA-N 437.497 1.457 30 10 IDEE Cc1nc(CN2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)no1 1144003821 OBGFYKAMJQOKKZ-UHFFFAOYSA-N 445.321 1.793 30 10 IDEE N#Cc1ncc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc1C#N 1161947287 BEPRNGISDIIRDL-UHFFFAOYSA-N 433.291 1.493 30 10 IDEE Cc1ccc(C(=O)N2CCCSC[C@H]2c2cnn(C)c2)cc1S(=O)(=O)NCC#N 1179328818 HYLIVJFBCFYEKX-KRWDZBQOSA-N 433.559 1.851 30 10 IDEE N#CCc1ccc(OC[C@H](O)CN2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1196519369 ZZMQZSTXJBGNIX-OAQYLSRUSA-N 437.544 1.999 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)n(-c2cccc(F)c2)c1C 1197992489 ZYIVPCANMRLBKE-SFHVURJKSA-N 448.520 1.525 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)cc1 1198250416 DAWFSOAHQXMAQM-GOSISDBHSA-N 441.575 1.924 30 10 IDEE COc1ccc([C@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1Br 1220841573 CYTBPKOFXVTARA-JTQLQIEISA-N 436.266 1.652 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)c(=O)nc1O 1235705132 MVDJTDRVSNWPPF-RRFJBIMHSA-N 430.262 1.221 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1286294325 CXNNCKFYZNWVAH-HOTGVXAUSA-N 429.612 1.458 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCCOC)cc1 1286298704 NUEYTINGSTXPRU-XLIONFOSSA-N 446.573 1.849 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1286325044 VGZOQJHXQDSGHF-IBGZPJMESA-N 437.610 1.531 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1286388112 YIFWPODIPAOPER-KRWDZBQOSA-N 442.501 1.150 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1286968553 AADLLIKUDNMZPQ-OAHLLOKOSA-N 432.912 1.965 30 10 IDEE CCc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1293113984 YGQVDHBRYHXECK-MRCUWXFGSA-N 441.536 1.348 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)C2=O)cc1 1296292100 BRNMQOBATKOBEF-KFWWJZLASA-N 429.420 1.393 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1298198625 MHDLUFZSZGGGQR-KRWDZBQOSA-N 446.458 1.536 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1300308124 MIJFISBZJLISOK-STQMWFEESA-N 438.351 1.844 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1300408808 CJLWZLCNCSILSA-LEWJYISDSA-N 436.560 1.934 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300503013 ZPQOZUGUSZAPSY-ROUUACIJSA-N 431.562 1.753 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2conc2COC)CC1 1300719447 BJKDDAPYKCLMJH-UHFFFAOYSA-N 437.504 1.432 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCN(C)C(C)C)CC1 1300727392 ZJPGLVHAARYDGN-UHFFFAOYSA-N 437.592 1.960 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCOCC1 1301279262 ZORLTYPOEFGOIN-UHFFFAOYSA-N 448.593 1.540 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1301296431 HBJVZOUSQBJQKI-SFHVURJKSA-N 435.550 1.428 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCc1ccccc1 1301499362 BQDROFOYIXMWKQ-GOSISDBHSA-N 431.562 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(C)C)C1 1301589319 QMZNTAISYULTHE-DLBZAZTESA-N 444.623 1.653 30 10 IDEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1301769806 FNRMHGCBCAIQCN-SIKLNZKXSA-N 429.569 1.466 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 1302921459 FFFZXFDRIWZRGY-UHFFFAOYSA-N 449.964 1.427 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](NC(C)=O)C3)nnc12 1306858693 NIVFVYRCNLBNBV-CQSZACIVSA-N 426.502 1.059 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(CCO)(CCO)CC2)CC1 1307999088 DGYBEJWCQMEYBN-OAQYLSRUSA-N 432.540 1.382 30 10 IDEE Cc1ccc(CNC(=O)c2nnc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)s2)cc1 1308098909 APSHBJRQQNUGKJ-KXBFYZLASA-N 431.543 1.147 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3OC)CCCC2)CC1 1311702785 ARDZZKCHJGCWQG-UHFFFAOYSA-N 434.562 1.302 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)(F)F)CCO1 1316539450 OSFYKFBWDNOQAW-NSHDSACASA-N 428.371 1.661 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1358903908 NGKPAXGDUQVZPP-LJQANCHMSA-N 425.537 1.728 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358960956 PEFIONOCQZCRII-IBGZPJMESA-N 439.545 1.562 30 10 IDEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1359210716 FBPCQPCCZKDKGS-UHFFFAOYSA-N 440.508 1.279 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1359272036 JMOUWJHQGWLLIA-KRWDZBQOSA-N 425.555 1.216 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1359327856 MSCOBYHXTMPZOQ-UHFFFAOYSA-N 435.525 1.679 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(Br)[nH]2)CC1 1464847339 NSIVQDZSZZJPJA-UHFFFAOYSA-N 446.143 1.437 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)C2)nc1 1471366076 LPPFOHWWQWQNTQ-IBGZPJMESA-N 442.545 1.659 30 10 IDEE COCCCOc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1504836074 RGEUFBGBYAIBSG-QUCCMNQESA-N 427.505 1.974 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507569031 BXBGEKHGQYAUDF-UHFFFAOYSA-N 447.609 1.803 30 10 IDEE C#CCCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1507599442 PPJWUDRQDJDVLS-MZKRTTBSSA-N 431.581 1.891 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632770 PNABOPCJXFILCA-MKXGPGLRSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1507638388 QGQPEHBQKLQDCB-CVEARBPZSA-N 426.608 1.973 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nnn(C)n1 1507705920 YCHLRYBUNIKTRU-UHFFFAOYSA-N 445.325 1.674 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)c(Cl)c2)CC1 1507726742 LJOXYAZQXXZCIO-UHFFFAOYSA-N 430.915 1.997 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507917291 ZYPRJVKZHWKABR-ARFHVFGLSA-N 440.566 1.143 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(CCC)C(=O)C1 1508099497 ZOLVNRNVHYTYPR-YLJYHZDGSA-N 446.596 1.948 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1508809821 CILQBTBAQJVPKV-OPAMFIHVSA-N 426.521 1.565 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1512362983 RYGQCNOKXRNPIQ-NXHAUGRDSA-N 427.509 1.129 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)O1 1513532977 IUNXHGSFKSSWRV-DTTOXWODSA-N 428.534 1.678 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1518966081 VAYFYDQKZWWBOR-FCHUYYIVSA-N 440.504 1.635 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C#N)o1 1519319613 MKAZWVCJZOWKPR-DOTOQJQBSA-N 425.493 1.692 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 1524950160 JFZFIMNEUKZVLC-TVTNDZMWSA-N 445.541 1.943 30 10 IDEE C#CC[C@@H](COC)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1534144148 BSWYIQHUHKKREB-BTYIYWSLSA-N 426.510 1.489 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)NC(C)C 1538977430 WBAVJDLXYXXPSG-APWZRJJASA-N 427.571 1.104 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(C)CN(C)C2=O)c1 1539039782 HUJNGNVEOQKOMN-HSZRJFAPSA-N 444.499 1.270 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1539384663 BRKYSSVBOALESX-JKIFEVAISA-N 447.875 1.518 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CC2)CC1 1539484565 UWRMLBKVBHXILU-UHFFFAOYSA-N 447.605 1.554 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1541276363 YUAIQFJKBDIASF-SFHVURJKSA-N 444.561 1.602 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@](C)(O)C(C)C 1541673867 GHXVOERHDGQQSB-QFIPXVFZSA-N 440.552 1.417 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNS(=O)(=O)CC 1545761363 QLFUPMQHNASOLH-RBUKOAKNSA-N 446.577 1.878 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1546769493 GTDKFKYNMHMZQM-ROUUACIJSA-N 445.545 1.779 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1552712407 BGGYMKRBUAOSNA-IAGOWNOFSA-N 440.460 1.321 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)s1 1556415573 XDCCOVIGZDAVOE-OAHLLOKOSA-N 437.591 1.582 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(O)n1C1CC1 1557266647 VHRFLBMJFLIOLR-AWEZNQCLSA-N 432.506 1.088 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1558694291 NFTQRZKSHFSSEC-OAHLLOKOSA-N 444.488 1.282 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587782802 CYRAZWMRJKVXOY-SFHVURJKSA-N 433.582 1.413 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1587988629 AEWNADQTPCSGBJ-INIZCTEOSA-N 434.541 1.428 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCSCC2)cc1 1587989857 PKYGWYDRUSUVKM-GOSISDBHSA-N 445.614 1.851 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588059745 UDMFUUPHRMLEHY-IEBWSBKVSA-N 427.574 1.918 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1588064346 GMRDWUQSRHTDQW-MRXNPFEDSA-N 439.488 1.520 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588073806 FGBCZBMDNRNNNW-DBXWQHBBSA-N 438.594 1.944 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCCC1 1588574449 ICPPRPFTQGAWFY-UHFFFAOYSA-N 425.493 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)C2CC2)CC1 1588923606 GJJJICWPPVPTLC-UHFFFAOYSA-N 435.532 1.141 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1594992589 LGGKKNFMEWVZPI-IRXDYDNUSA-N 430.532 1.369 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1595595080 RVJSHIIQMLEXFF-KRWDZBQOSA-N 428.562 1.896 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1595602227 HDRWHOUETYAELE-JKSUJKDBSA-N 434.541 1.783 30 10 IDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1596126269 CRTJPQOKSJNBFN-UHFFFAOYSA-N 426.521 1.948 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1c(C)nn(C)c1C 1607425108 BVTYDSVVFKDNHB-IRXDYDNUSA-N 447.561 1.484 30 10 IDEE O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648965 PCERWDQORSBWMG-IRXDYDNUSA-N 427.457 1.456 30 10 IDEE C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1612962459 BMOSDORNJQMJOX-CVTQAYBASA-N 439.545 1.732 30 10 IDEE CC[C@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1613412923 FIQFHPTZVBFKHW-YESZJQIVSA-N 441.602 1.080 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)CC1 1615209586 RFIDYPDLPWQPMB-HNNXBMFYSA-N 447.333 1.159 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(N(C)C(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1616213133 ILZRFKGJECVGTK-QFIPXVFZSA-N 442.520 1.890 30 10 IDEE Cc1nc(SCC(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(C#N)c(C)c1C 1616225257 CRHHMSAYAHUCFN-UHFFFAOYSA-N 433.534 1.562 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)s1 1616724123 NZSPWVCVBICJTL-MRXNPFEDSA-N 431.543 1.973 30 10 IDEE C#Cc1ccc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 1621206436 AMAXWDUDOXKFDC-UHFFFAOYSA-N 426.542 1.406 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(Br)cc(I)c1 1624906775 STDVJFMTUHTUQS-SECBINFHSA-N 425.020 1.774 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1F 1625871345 KQVRKKNKUZQYKB-INIZCTEOSA-N 429.832 1.445 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 1630016570 JQWLJOGGRZDRNA-HXJYWVFZSA-N 448.545 1.741 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccccc1C(=O)OC(C)(C)C)c1cc[nH]n1 1634415677 VGDGUFQEQCJWKF-UHFFFAOYSA-N 430.461 1.965 30 10 IDEE C#CCCOc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 1635101805 CIEIYOGEDGBISN-LJQANCHMSA-N 449.555 1.665 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)s1 1636300833 RKIJQDJZLGZPGY-UHFFFAOYSA-N 448.526 1.607 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(CC)nn(Cc3ccccc3)c2CC)C1=O 1637584568 RJTOVAICGABBOC-UHFFFAOYSA-N 437.500 1.649 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)C2=O)cc1 1639974025 UARMSJJGWIDVOA-MRXNPFEDSA-N 446.294 1.907 30 10 IDEE Cc1c(C#N)c(NC(=O)CN(C)Cc2nnc3c(=O)[nH]ccn23)n(-c2ccc(F)cc2)c1C 1655480063 CRFZDSHRYKZZAF-UHFFFAOYSA-N 448.462 1.906 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)nn1 1665451427 LSSYSJWGDXEGDP-UHFFFAOYSA-N 425.536 1.117 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn(CC(=O)OC)c1 1671510606 LQTBELZXCMKVLQ-UHFFFAOYSA-N 440.522 1.080 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1689969333 SDZLVOPSWXVEDQ-HXUWFJFHSA-N 432.619 1.911 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCN(CC)CC1 1690006330 NMZZLCFZRMCPLG-IBGZPJMESA-N 435.532 1.952 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2ccc3ccccc32)n1CCNS(C)(=O)=O 1690210449 CKUWOJNATJKHAZ-OAQYLSRUSA-N 426.546 1.822 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1 1690411229 IGJZUOHHWXCCPN-OAHLLOKOSA-N 428.580 1.160 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690675358 YFJGWGFKIXEABW-JOCHJYFZSA-N 426.521 1.164 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1690679097 KKNOTGZZJOINDD-QAPCUYQASA-N 446.533 1.230 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1693750968 WRJBALFKTJMDBF-HNNXBMFYSA-N 433.472 1.393 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C(C)C)N1CCOCC1 1694738169 IVQZAUZAGVABEC-HXUWFJFHSA-N 438.580 1.791 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1705567069 SYTHRCSNBLFVQL-DLBZAZTESA-N 449.964 1.896 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1705634430 VJWXKDZHBRHFGA-MRXNPFEDSA-N 444.517 1.043 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCn2cncn2)CC1 1705635224 UHQPTHRBFQQYMC-UHFFFAOYSA-N 441.337 1.755 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1705903492 XACCXZHXWXZAGZ-NVXWUHKLSA-N 447.561 1.685 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1705908225 LCZFSOBSODSDTI-QHCPKHFHSA-N 441.532 1.889 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706117770 ABYYTKNCZSPSGW-LTOKCNDWSA-N 442.442 1.870 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccncc1Cl 1706870342 AHXOCQQNDZGISN-MEDUHNTESA-N 427.893 1.427 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1708151351 DNUWTWOTNAFSCT-SJORKVTESA-N 437.548 1.878 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1709902028 BDHUKNGVSIDXGL-OAQYLSRUSA-N 442.545 1.310 30 10 IDEE CCOCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1710793143 ZCHVVNPEZWYGGL-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCOCC2)CCO1 1712884096 GKFHMPDJCFSYDY-OAHLLOKOSA-N 430.896 1.576 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1722368357 QHKASVNYHHDMIR-LJQANCHMSA-N 444.557 1.856 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cc(C)oc1C 1722428012 WBJSBAIRDNQRNA-JOCHJYFZSA-N 429.521 1.604 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722551826 DOVAXXYJCVAMOS-UHFFFAOYSA-N 429.956 1.761 30 10 IDEE COC[C@H](C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1730463312 QWMOQACVIWZBCN-LZNRXBQRSA-N 432.569 1.778 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1730945517 FOTGNDMDRYFOPX-XGHQBKJUSA-N 436.532 1.555 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740567063 NOSXGTKJDIAUDO-JXFKEZNVSA-N 449.581 1.177 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1740679698 HIRHAIWSDLFGQU-INIZCTEOSA-N 447.561 1.348 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1740707598 IMORQAKVRKIRFT-XXBNENTESA-N 445.564 1.509 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1740720175 QNOUGOXKGYPETA-KRWDZBQOSA-N 426.546 1.820 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740736941 UPFPIBHOLQKRKX-SFHVURJKSA-N 439.358 1.964 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740867484 LVNZSBILDFGDIE-GOSISDBHSA-N 432.569 1.990 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740869001 YOUVUNHMTXIVLB-HNNXBMFYSA-N 438.492 1.364 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1 1740991815 FIGOGFNMAHGRBS-CQSZACIVSA-N 448.636 1.113 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1748772358 NBZUJSFWWGZWES-HNNXBMFYSA-N 429.550 1.706 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(F)c1 1748951467 VUAFZPRSFFRNTG-CYBMUJFWSA-N 427.477 1.301 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749133067 HFGXGUFOSGLKBY-QFBILLFUSA-N 425.537 1.642 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749257790 AAGOQKPUXPAZHE-UHFFFAOYSA-N 441.941 1.796 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC1)C(C)C 1749556899 BVNAHYGSRXJUEB-MOPGFXCFSA-N 437.610 1.715 30 10 IDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749609603 WLBMHCUXEXHUIX-UHFFFAOYSA-N 426.521 1.121 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CCC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1749682687 YJSUJTHMQFOCAW-QHCPKHFHSA-N 448.612 1.791 30 10 IDEE COCCOCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1750109005 KQSQNSAQPAOSET-UHFFFAOYSA-N 428.541 1.134 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1C 1760173453 VXSPVINCOWBDTH-WMZOPIPTSA-N 431.562 1.937 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1760183996 SIWAKLVTDYCBTO-MRXNPFEDSA-N 436.559 1.385 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCOC2)CC1 1760257213 RCNYQDOABRNQEV-HTAPYJJXSA-N 429.496 1.464 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760280373 FGDPTRDCUUMZTA-INIZCTEOSA-N 441.623 1.447 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760504768 BBSQDQYVALMCME-FUHIMQAGSA-N 440.566 1.157 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCC=CO1 1761235880 OESIMZJUNBRACT-SFHVURJKSA-N 436.520 1.702 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1761292193 VZJWHONBZIWFAV-GCJKJVERSA-N 446.552 1.354 30 10 IDEE C[C@@H](N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1)C(F)(F)F 1761452762 BRTURNRIZSBBLW-CYBMUJFWSA-N 446.441 1.461 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1765870823 GDUIYDIEPKAOLE-QFIPXVFZSA-N 439.520 1.602 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)C1=O 1767504947 FHCDPNSLYFXFQV-HXUWFJFHSA-N 447.465 1.979 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1769156470 CNRVXUDFRZSMPB-HXOBKFHXSA-N 435.532 1.694 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1770051929 QINLRDMKJIFKRM-VQIMIIECSA-N 442.520 1.481 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)C2CCC2)C1 1770727089 LCTQOMRPPNNSPO-NRFANRHFSA-N 440.483 1.674 30 10 IDEE C[C@H]1CCN([C@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855419554 FGNYZQAYVHGHHB-PXNSSMCTSA-N 431.558 1.908 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1855697996 JDSVMWJOUQBAAK-KRWDZBQOSA-N 432.546 1.308 30 10 IDEE CN(C[C@@H]1CC(=O)N(C(=O)c2cc(Cl)ccn2)C1)C1CN(c2nccnc2C#N)C1 1856278798 VFISPJWDUQWFME-ZDUSSCGKSA-N 425.880 1.206 30 10 IDEE COc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870155816 GZUUQDFDCCPKPZ-UHFFFAOYSA-N 447.499 1.917 30 10 IDEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870560950 RVKURVNVASAYIW-UHFFFAOYSA-N 425.529 1.222 30 10 IDEE COc1ccccc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)Nc1nccs1 1874433283 IZZUMQXOMGCVLA-ZVBGSRNCSA-N 445.530 1.992 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@H](COc3cc(C(N)=O)ccn3)C2)cs1 1891431478 DNMOQCKITJWFJH-ZDUSSCGKSA-N 429.502 1.484 30 10 IDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)CC1 1891999923 KPQIABOCMOMRFX-UHFFFAOYSA-N 447.495 1.881 30 10 IDEE C[C@H](C#CC(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902013586 IFZXWMGFNDEUHG-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2O)CCN1Cc1ccccc1 2117400099 UECQRZOOQJGPIE-HNNXBMFYSA-N 437.319 1.948 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@@H]2C1 2214625226 ANIPHNIULCZAFJ-UPJWGTAASA-N 425.345 1.384 30 10 IDEE C[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)[C@@H](C)NC(=O)OC(C)(C)C 2243697309 XYJHQDFWDSRYES-WDEREUQCSA-N 426.348 1.747 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCCO)Cc3ccccc3)c2)OC1(C)C 2247877069 BMVRWJAGPUBMTE-UHFFFAOYSA-N 432.351 1.954 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCCCN3C(=O)C(F)(F)F)[nH]n2)OC1(C)C 2255626713 JJKFKXHRLZIRQR-NSHDSACASA-N 430.236 1.382 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)n1 2255648706 DWYAZODGPPAEPM-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC1(C)OB(c2nscc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2255665181 CATDPCXTKNYUDO-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255838175 BJDUIXZNZJOXIO-OLZOCXBDSA-N 435.334 1.242 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255842748 WYSDELKKWAETOL-UONOGXRCSA-N 434.346 1.610 30 10 IDEE Cn1nc(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255842749 WYSDELKKWAETOL-ZIAGYGMSSA-N 434.346 1.610 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267128448 QWCUHDGYRVPIBA-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267597487 QTQHTONYDFGRFR-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CC#CCN(CC(=O)NCc1c(I)cnn1C)C(=O)OC(C)(C)C 2300614080 YHPLKBSNGPHWBH-UHFFFAOYSA-N 446.289 1.901 30 10 IDEE C[C@@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2315694655 BYQRTFPUZMTXDR-PWSUYJOCSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)CCN(Cc2ccccc2)C1 2319991949 XZXYVOXVFFYMDG-SKPFHBQLSA-N 439.560 1.964 30 10 IDEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccco2)CC1 36211635 CXJIDDNZDNFDAA-HXUWFJFHSA-N 439.468 1.961 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@H]1CCS(=O)(=O)C1 83812529 VGLOEEOXAKIMDH-RDJZCZTQSA-N 442.459 1.703 30 10 IDEE COc1ccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)c(Br)c1O 169883481 PKOPQHBNAHGERP-SOFYXZRVSA-N 429.252 1.303 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccncc1)n2C[C@@H](O)COc1ccccc1 254854578 QMXYJBFAMZGUCZ-OAHLLOKOSA-N 435.444 1.117 30 10 IDEE COCCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)S(=O)(=O)c1ccc(C#N)cc1 447698313 KLUBSTZLEZWVJU-HNNXBMFYSA-N 433.452 1.996 30 10 IDEE CCn1c(=O)c(C(=O)CN(CCC#N)Cc2ccccn2)c(N)n(Cc2ccccc2)c1=O 471236350 QOFNNNSMEDJGBV-UHFFFAOYSA-N 446.511 1.654 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)o1 480952342 KQXPTSAJWXDGAU-UHFFFAOYSA-N 439.468 1.559 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)ccc1F 488917584 KXAWUAHWXHPHQW-UHFFFAOYSA-N 441.481 1.968 30 10 IDEE Cn1nccc1C1=CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 511110059 UCMWTGFZGGZJJF-UHFFFAOYSA-N 447.499 1.978 30 10 IDEE CS(=O)(=O)c1cccc([C@H](NC(=O)NCC(=O)NCC#N)c2cc(F)ccc2F)c1 511900583 IJTDYBZCOKISHR-SFHVURJKSA-N 436.440 1.397 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 512718700 RPEQNXPXGYSWFD-UHFFFAOYSA-N 449.508 1.015 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 521791725 AUVIAGQNDUKMEN-UHFFFAOYSA-N 427.549 1.611 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccccc1 556785747 FBKDDTHMPIKMES-UHFFFAOYSA-N 435.553 1.419 30 10 IDEE CN(C)S(=O)(=O)c1cccc2c1CCN(CCS(=O)(=O)c1cccc(C#N)c1)C2 560206718 SHNYZZPWCRLGHZ-UHFFFAOYSA-N 433.555 1.641 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 568804240 LZOPOZUINYQOJG-IYBDPMFKSA-N 443.529 1.162 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cn1 584315042 HQLNVIMUBOEODE-AWEZNQCLSA-N 429.506 1.465 30 10 IDEE COc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N2CCOCC2)cc1 585684767 BDHJOAZDDACIJH-NRFANRHFSA-N 440.475 1.512 30 10 IDEE CC(C)NC(=O)CN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cccc(C#N)c1 602268890 QZVXUICVHDSHMC-UHFFFAOYSA-N 432.484 1.834 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F 732465067 DHHUAIMZQUVMRI-ZWKQNVPVSA-N 446.813 1.916 30 10 IDEE C#CCN(C(=O)CCn1c(S)nnc1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 747367901 IHIVFCAMZUVJDT-HNNXBMFYSA-N 434.543 1.281 30 10 IDEE N#CCn1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)cn1 747436783 SMMMWEXYGJODMD-HNNXBMFYSA-N 438.307 1.961 30 10 IDEE CC[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H](c1ccc(C)cc1)n1cncn1 756684121 FWVJWFONKPFWTG-BXCQRQNESA-N 437.504 1.780 30 10 IDEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768423223 XVZGGHZHVGTYQI-KRWDZBQOSA-N 443.577 1.577 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OCCCO)CC1 771555088 IZZCILSIFJXDSG-GOSISDBHSA-N 437.562 1.530 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)c1 771596637 RHRSUADQLXDTJW-UHFFFAOYSA-N 446.481 1.413 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)cn1 784127641 YWWBEVZNJCQMPA-NVXWUHKLSA-N 449.577 1.516 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 784789877 FAWURGNQJBSDEB-HXUWFJFHSA-N 449.442 1.432 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCC2CS(=O)(=O)C2)C1=O 786683235 QDXUYESJXQQILL-AWEZNQCLSA-N 431.486 1.467 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 790834748 BMKOPOQJYBKEDF-GORDUTHDSA-N 449.286 1.594 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)COc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 797581949 BJXXXALEJGCEPZ-OAQYLSRUSA-N 430.482 1.935 30 10 IDEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cnn(C)n2)C1=O 807930520 JXHWOEHQWUXAOX-KRWDZBQOSA-N 429.550 1.405 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 812310686 MMLVAJOBOXGUOS-QZTJIDSGSA-N 429.521 1.838 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2cccnc2C#N)o1 813309169 VKCPOFVTPIJKEQ-HNNXBMFYSA-N 433.442 1.619 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 813563227 RQOFIYJSGJGXKX-CABZTGNLSA-N 434.415 1.960 30 10 IDEE N#CCCn1cc(/C=C\C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)c2ccccc21 1087609605 LWQGAGJZSGJXLA-BVUSGXHMSA-N 426.542 1.946 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2c(F)cccc2NS(C)(=O)=O)n1 1116857039 DRVQDRBAOOEBSW-UHFFFAOYSA-N 437.497 1.385 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1154131312 NJZHGLLWVRDHIR-AWEZNQCLSA-N 433.486 1.495 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@]1(OCCO)CCOC1 1165980423 JGIHTCNHRSXDAH-GOSISDBHSA-N 443.294 1.382 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)OC1(C)C 1176612811 YVHTXRPESALZLH-KRWDZBQOSA-N 447.316 1.884 30 10 IDEE Cn1ncc2c(O)nc(SCC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)nc21 1189737405 GAEBUQMGGCSYIA-MRXNPFEDSA-N 441.492 1.709 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)C2=O)cc1 1226111454 JCWQJGADVGKLBV-RTBURBONSA-N 430.530 1.662 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 1230745384 HHRNJXQJKAKBCK-UHFFFAOYSA-N 425.473 1.706 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)OC(C)(C)C)cc2C1=O 1275706172 CFKPSVXZDUIGGR-MRXNPFEDSA-N 448.497 1.050 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)N1CCOCC1 1286282876 OYXSRKKFNFCLMQ-GHTZIAJQSA-N 449.563 1.736 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1286396011 TZSDKBDOSNHUNN-MOPGFXCFSA-N 437.610 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1286408066 AHJQGJVBYZBHIK-UHFFFAOYSA-N 429.484 1.050 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCc1ccccc1 1286416584 SVDWECHJRPGOSF-UHFFFAOYSA-N 429.528 1.571 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCN1CCCS1(=O)=O 1286427867 GQDYTRKIYNXJPY-UHFFFAOYSA-N 429.521 1.506 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1286493687 FYVVRKYAIMRZNZ-UHFFFAOYSA-N 426.546 1.616 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286594683 JSPUEPXIIYCPJB-UHFFFAOYSA-N 433.582 1.095 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1C(C)(C)C 1286792715 GDTBULNBQLPYLN-UHFFFAOYSA-N 426.587 1.176 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286830734 PQTMVAYKDYGMDD-MRXNPFEDSA-N 441.561 1.506 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1286858684 DJINPAINDUUARI-PGRDOPGGSA-N 427.553 1.789 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)N(C)C 1288673103 KBCPOMGQIINUJW-IMFGXOCKSA-N 437.548 1.736 30 10 IDEE CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1295613266 GIRWUNUBQFRUIV-SLNYWTKHSA-N 449.515 1.782 30 10 IDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1299830536 UKRGCSGBJYHPID-PYCORMQUSA-N 433.553 1.352 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1300273909 SHWJVFLRUWAKDF-IRXDYDNUSA-N 430.578 1.405 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC(F)F 1300441620 UHUBNALVLCWMFM-UHFFFAOYSA-N 427.477 1.547 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300484122 RGOXOYPUDTVODV-YLJYHZDGSA-N 447.517 1.641 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300494982 AVTHGZKKNPUPLW-RTBURBONSA-N 437.610 1.072 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1301362844 KQMKYJKEOFCDAU-AWEZNQCLSA-N 433.563 1.611 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)Cc3ccc(F)cc3)CC2)cc1 1303695541 FTPJVPCZJDPOAX-HXUWFJFHSA-N 445.516 1.818 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCCCCO)CC2)c1C#N 1304731655 SSMQNGZEGPHUIW-IBGZPJMESA-N 442.568 1.923 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1305640467 GDQMUAFSPFYSIM-MRXNPFEDSA-N 444.561 1.602 30 10 IDEE CCCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1306658341 PKKSIGJYJWYAMV-QZTJIDSGSA-N 426.525 1.701 30 10 IDEE CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1307674259 DSYGVINIQBQRAE-GOSISDBHSA-N 425.526 1.764 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN(CCC#N)CCN2CCOCC2)C1 1308559653 FWRZDYDDDDHABO-LJQANCHMSA-N 437.585 1.298 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1314532083 KWTRDKHMPFOPLF-UHFFFAOYSA-N 440.533 1.301 30 10 IDEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1314934028 ADLKEXITEMEBIY-SFHVURJKSA-N 440.533 1.397 30 10 IDEE COc1cccc(O[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1315584389 IDLXPMLHEHHFOL-VQIMIIECSA-N 440.504 1.719 30 10 IDEE COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1315794565 XWCZERZSEJTUJL-AABGKKOBSA-N 438.532 1.919 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1358892327 XJYXKNMFUIVYCI-IXDOHACOSA-N 435.525 1.460 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N1CCOCC1 1358943801 WPLHAKOHAHIMKJ-UHFFFAOYSA-N 448.321 1.644 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1358946660 DKZWRDTWJFWDIG-QHCPKHFHSA-N 433.516 1.613 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)CC 1359027127 XBKQZNNJAZFOMK-IAGOWNOFSA-N 426.583 1.717 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CC1 1359036002 KFRPHNUEZNGGSD-QGZVFWFLSA-N 433.965 1.637 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359054567 ZQDDRRMALNEUBH-UHFFFAOYSA-N 448.618 1.957 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1359055957 UGKVKMVUKHQMER-INIZCTEOSA-N 445.980 1.971 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359060332 RUBJGWFGNGTHCB-JOCHJYFZSA-N 443.621 1.807 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359492131 BTTVDDUGBYPROP-ROUUACIJSA-N 435.532 1.694 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1440808059 GRMIFJLUMKHABV-LJQANCHMSA-N 431.512 1.897 30 10 IDEE C=CC[C@@H](CO)CNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1447022879 DUJJBFHAPGXXKM-VFNWGFHPSA-N 428.526 1.635 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1448184085 BPVIBQXUHYAQST-SWLSCSKDSA-N 430.324 1.534 30 10 IDEE CN1CCN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1(C)C 1448376715 ZMXQXPQOQHCKDL-UHFFFAOYSA-N 434.382 1.899 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CO2)C1 1453251619 CJGNWDODWACXBO-INIZCTEOSA-N 438.488 1.834 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1453517962 OMDHUUQYOLFIOP-UGSOOPFHSA-N 427.461 1.993 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(N2C(=O)CCC2=O)cc1 1457211486 IPOJFNARSKEIRT-CYBMUJFWSA-N 426.454 1.517 30 10 IDEE CCOC(=O)CS[C@H](CNC(=O)N1CCC(C#N)(C(=O)OC)CC1)C(F)(F)F 1471160281 GQWUFXACUWIHPV-LLVKDONJSA-N 425.429 1.702 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1471936102 UMOHJXWHAJYSPL-SFHVURJKSA-N 438.546 1.646 30 10 IDEE COc1ccc(C[C@H](CO)CNS(=O)(=O)c2ccc(C#N)nc2)cc1Br 1475306640 BCPMYICWAWKUQM-ZDUSSCGKSA-N 440.319 1.854 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1499302818 YNERIKDRHTYXLG-LVHCJKAXSA-N 439.476 1.088 30 10 IDEE CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1500634885 RNKVJCINXLMEGJ-GOSISDBHSA-N 438.536 1.639 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1503437845 KTBBWCAYGDDQCD-KRWDZBQOSA-N 446.458 1.536 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507630960 AHXYVVGPNAJFPH-MOPGFXCFSA-N 435.594 1.285 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1507719415 NMOHPNGFIHYHRY-ZJSXRUAMSA-N 444.624 1.806 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1508040636 WPFDAPDTLIHWMW-INIZCTEOSA-N 441.458 1.637 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1508041540 PIBKRPMHNQZXMG-SJLPKXTDSA-N 428.541 1.271 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)(C)C)CC1 1508091323 MUXHZYDFTLAUTM-OAHLLOKOSA-N 439.582 1.266 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](OCC)C1 1508094063 YQQWTPWJFLKTEV-HNNXBMFYSA-N 432.550 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1508139740 DIQYYRBBIYLIPW-DLBZAZTESA-N 434.566 1.500 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508148063 FPDWPECSKYUXLD-RTBURBONSA-N 441.529 1.361 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508412678 DGXWXUFIZPHHJP-DOTOQJQBSA-N 427.534 1.694 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NCc1ccccc1 1509637558 GVNAJGCFJQCREW-OAQYLSRUSA-N 427.484 1.565 30 10 IDEE CC1=C(C)CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1510391035 PVEFGIYUQUSZMZ-ZPHPHTNESA-N 427.509 1.489 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCS(C)(=O)=O)CCOC1 1516185002 RDOYJWSHIAMNIA-OALUTQOASA-N 443.545 1.587 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1Cc1ccc(C#N)o1 1519336283 URYDDCRTZXXMAX-RKVPGOIHSA-N 428.493 1.477 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccsc3C#N)CC2)cc1 1531663780 CFOVFCSDYVXPRG-UHFFFAOYSA-N 434.543 1.510 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2ncccc2F)CC1 1539476312 VHJQRWMMQFFNPL-UHFFFAOYSA-N 437.479 1.852 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1540859719 CDEKZNCFAAQRDL-UHFFFAOYSA-N 440.548 1.926 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1540877260 PBMULDYQYDWQPY-HZPDHXFCSA-N 431.566 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)C(=O)C1 1540901935 VNBBJFSDZWULDP-UHFFFAOYSA-N 430.534 1.060 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCOC2)nnc1[C@]1(OC(C)C)CCOC1 1540908672 LIPHYJVVQAOBCS-APWZRJJASA-N 428.555 1.145 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc2ccn(CCN(C)C)c2c1)c1cc[nH]n1 1544169385 KGVCAXWAARZIEG-UHFFFAOYSA-N 426.477 1.849 30 10 IDEE CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1547422633 BSDITZKTIJVVSA-JTDSTZFVSA-N 425.603 1.749 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC(=O)N1 1555546367 UFMLRQYDKJHCPD-WOJBJXKFSA-N 438.532 1.975 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCOCC2)C1 1555986072 DUNBHXFZIWWDLR-FQEVSTJZSA-N 447.540 1.434 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(Cl)sc3S(N)(=O)=O)C2=O)cc1 1556457260 AIHQUJITVAYBTP-CYBMUJFWSA-N 438.918 1.451 30 10 IDEE C=CCn1cc(C(=O)N2CCN([C@](C)(CO)c3ccc(Br)cc3)CC2)nn1 1558685689 ZGOTUWVRVLGIST-LJQANCHMSA-N 434.338 1.892 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CN(C(=O)OCC)C[C@@H]3CO)ccc2c1=O 1558732931 WCKVZKYZKRSTML-CJNGLKHVSA-N 432.502 1.050 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cnn(C(C)(C)C)c2I)CC1 1585925524 UUGRMIKVPXLCRN-UHFFFAOYSA-N 442.301 1.844 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C(C)=O)CC1 1587600269 WSMFRQLCMNWFMD-QGZVFWFLSA-N 440.548 1.584 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1587888281 BURASUHCIQNGBY-UHFFFAOYSA-N 440.479 1.930 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588074359 MEKOUIGGBOZIEU-INDMIFKZSA-N 436.578 1.817 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588254467 WHSGQLLWLSRVNT-RTBURBONSA-N 433.578 1.482 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1588627931 BEDPZYWYZLQWDG-UHFFFAOYSA-N 437.479 1.699 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1589481911 DNZKXPARBOQWJN-WMZOPIPTSA-N 430.553 1.310 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cccnn2)CC1 1593763418 JSGOOBFBBCBPEM-UHFFFAOYSA-N 440.552 1.864 30 10 IDEE C#C[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1596978115 LGSFYMLYTJEGGB-AWEZNQCLSA-N 444.289 1.077 30 10 IDEE CC(C)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1598486027 OVXFJLDCKDTFFM-OOADYSHXSA-N 443.552 1.085 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1609942916 HRYLMKVYRMVZFB-UHFFFAOYSA-N 444.561 1.745 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1613594227 DNGYYLLBZFELKR-QRWLVFNGSA-N 432.550 1.894 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1614955909 FIAVPWFYDZVGCG-GOSISDBHSA-N 444.561 1.746 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1617313213 FSEVBWBENIRTIF-ROUUACIJSA-N 442.545 1.499 30 10 IDEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCSCCCO)cc1 1620349733 RVSMIHBXRXKXPJ-ZWKOTPCHSA-N 426.546 1.647 30 10 IDEE N#Cc1cccc2c1CN(C(=O)CCNS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1628184491 JQFKGRBWTURJOO-UHFFFAOYSA-N 427.482 1.930 30 10 IDEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C(=O)OC(C)(C)C 1631879969 RBUSYHRARYXKAI-IBGZPJMESA-N 430.549 1.262 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)o1 1632501288 PTSXCUOJBWMFCC-NVXWUHKLSA-N 433.509 1.558 30 10 IDEE C=CCC[C@@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1636468839 CYWFHQQCDHQOCP-BTYIYWSLSA-N 428.526 1.778 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)CC1 1636480340 NKIMPSDSROEPDJ-UHFFFAOYSA-N 443.551 1.024 30 10 IDEE C=CC[C@@H]1CCN1C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1636893629 JQQCFLLUELXAFD-UKRRQHHQSA-N 433.452 1.795 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1637004709 MGKWBUIPDZJRSL-KKSFZXQISA-N 443.573 1.710 30 10 IDEE C#CC[C@H](NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1)C(=O)OC 1637697555 VXZFDTUBAWPQFK-KRWDZBQOSA-N 440.313 1.387 30 10 IDEE C=CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1638656703 SLUMAURBYGNEOG-UHFFFAOYSA-N 426.535 1.692 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)CC2)cn1C 1639961821 IIFAAYZKGKWCNM-LJQANCHMSA-N 445.545 1.193 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 1648000968 TUEGNGXWCHRIJN-VAMGGRTRSA-N 426.542 1.581 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC#C[C@H]1CCCCO1 1648586622 PIAAOJUHMDSPSJ-GOSISDBHSA-N 449.573 1.324 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1656530042 NKFYBWWZVRCBBW-KUHUBIRLSA-N 440.443 1.728 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1 1677401517 FFZJYXGVWGBVAH-APWZRJJASA-N 430.505 1.214 30 10 IDEE C=CCn1cc(CNC(=O)N[C@H](CO)c2ccccc2I)nn1 1686848751 HECAZNACSOMBLN-CQSZACIVSA-N 427.246 1.602 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1689989242 CINMZJWDUNEPDN-OALUTQOASA-N 446.577 1.165 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCC1 1690003836 ZKSDAIPULSNWNF-UHFFFAOYSA-N 426.546 1.534 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@@H]1C 1690005153 TYZGPHJKRGPAMQ-HNNXBMFYSA-N 431.338 1.829 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1690019214 CWXAHMZGQORUGQ-SFHVURJKSA-N 440.525 1.347 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690098373 GDBOMTIMXOQVBN-KRWDZBQOSA-N 447.561 1.321 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccsc2)n1 1690109387 PRGHOOSDWLYHMV-SFHVURJKSA-N 439.545 1.822 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1690264801 DGBIGALELBPTGF-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C)C1 1690671002 NIDKEERGBNSZLU-DLBZAZTESA-N 448.568 1.920 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccn2)CC1 1690749564 IEOZMHRTLFAMCO-UHFFFAOYSA-N 428.566 1.436 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CCN1CCOC 1694921865 CNOMYKLAMJQGHV-NRFANRHFSA-N 439.564 1.890 30 10 IDEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1696436967 PWCVJUXOYOIUNA-UHFFFAOYSA-N 441.511 1.774 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(N)(=O)=O)cc1 1705500058 FKOKJKJNNFFTNK-INIZCTEOSA-N 441.561 1.488 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705580511 LDXLWZSJSFWUGZ-PKOBYXMFSA-N 439.545 1.012 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1705626709 GLQYIOSWAZMBJZ-UHFFFAOYSA-N 432.488 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705650334 PKNHQYZNSMMFLF-LJQANCHMSA-N 429.613 1.080 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705664552 SFLPSPSJGBCIAV-SFHVURJKSA-N 429.546 1.483 30 10 IDEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1705743534 ZPXLSTOZZRQTSR-IBGZPJMESA-N 431.562 1.967 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2OCCC2(C)C)CC1 1705769458 SVSMUNMPHRPSMB-DLBZAZTESA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1OCC[C@H]1COC 1705908624 FYPGFHLQFOOISQ-BJJXKVORSA-N 437.451 1.825 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1706751199 HWHVYDLBPFZGIO-AWEZNQCLSA-N 426.456 1.888 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1710436186 FWAIWKDRKPVELG-IBGZPJMESA-N 437.522 1.314 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712283785 HGFDYICBLNCNLB-SJLPKXTDSA-N 431.518 1.103 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1712616830 JCOSHJAUENJQCE-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE CS[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1712734781 XTTHIWJVJXZVFF-HOCLYGCPSA-N 426.550 1.574 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1722365066 BXZIGTRJMGMRMF-QGZVFWFLSA-N 430.578 1.613 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722367790 OGJXQRGCWDKCEB-RBUKOAKNSA-N 433.553 1.909 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1722368767 VWWMDTZCVXCJBC-GOSISDBHSA-N 432.546 1.541 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1722427300 NBWIOTWYNJHNGF-XXBNENTESA-N 430.597 1.997 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC=C 1722469935 JCIQLJSTSGEXDB-OAQYLSRUSA-N 441.561 1.533 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722531314 LEEHFWPMQHREGZ-GOSISDBHSA-N 439.520 1.699 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2=O)CC1 1722535159 AMLCOFYPSIMBLH-UHFFFAOYSA-N 444.580 1.975 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)NC)CC1 1722690514 JVVCTPQPWXABJA-OAHLLOKOSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722697090 FQQUNSDZCMYUGL-PKOBYXMFSA-N 425.537 1.189 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722706838 ZKOSGYMKCXWJNC-SFHVURJKSA-N 438.532 1.669 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1722742807 HVBJLCSBJBUALR-UHFFFAOYSA-N 439.611 1.141 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOC[C@H]3CCOC3)CC2)c1C#N 1725863461 PGNLJPUNGCLVOT-GOSISDBHSA-N 428.541 1.270 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1729706813 ONEXLCJSXPJPKJ-IBGZPJMESA-N 448.531 1.790 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2OC)CC1 1740580683 GCIXDRQUHAJKBK-KRWDZBQOSA-N 446.577 1.637 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ncccc2N(C)C)CC1 1740703691 BEJWACJIHUXTGS-UHFFFAOYSA-N 444.543 1.815 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(N)=O)CCOCC1 1740725385 LGJNCYWXOVKTMN-IFMALSPDSA-N 431.537 1.204 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1740782491 RJLQNMWMSPWYDH-LSDHHAIUSA-N 436.538 1.841 30 10 IDEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740850111 DJSYHRHZJSDQKU-UHFFFAOYSA-N 441.584 1.948 30 10 IDEE C=CCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949924 XVZCQHKBESJJEE-PGRDOPGGSA-N 432.569 1.248 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1740954816 HGUJYMZZJZAWSC-MRXNPFEDSA-N 426.477 1.383 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740959253 PAJGTRCTLXBHFB-UHFFFAOYSA-N 439.911 1.412 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1 1741687176 GWAHPGREKVSHBA-UHFFFAOYSA-N 434.508 1.575 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCOC2=O)CCOC1 1741724234 OPPMGSVBBNWWJM-OAQYLSRUSA-N 432.525 1.901 30 10 IDEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1743173747 AKCXLAZXGZTDEA-SJORKVTESA-N 444.561 1.999 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC(=O)N(C)C 1743231396 CEHJLPKBQMOAOP-HNNXBMFYSA-N 425.541 1.332 30 10 IDEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1744959704 MBGLOLYKIMIDTB-MRXNPFEDSA-N 432.550 1.904 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC(C)C 1748658170 PFRWKSUNDKLQIE-HNNXBMFYSA-N 433.534 1.502 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1748790504 IKPWEKDZGUTRTM-OAHLLOKOSA-N 434.518 1.324 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817241 HJKVAAXRZRIFJL-QZTJIDSGSA-N 433.578 1.999 30 10 IDEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749411714 DQTYTGFYKFWDIT-HZPDHXFCSA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749660373 OEFKTWHGCUGDEQ-OALUTQOASA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC=C(C)C1 1749666070 GAUZPZSNPFTODH-UHFFFAOYSA-N 429.550 1.697 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1749694679 UQUZKCFVMMNOHE-IRXDYDNUSA-N 437.566 1.263 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1760096922 WVLGNMNCVVBJJD-JKSUJKDBSA-N 447.490 1.739 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1760116230 GKYWPODTBGDMOL-UKRRQHHQSA-N 438.941 1.166 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@](C)(CC)O1 1760175471 KKBYEHXQJJODSA-BXWFABGCSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760187582 KGYYUMZMASULEI-OALUTQOASA-N 435.594 1.632 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1760189132 NZMMYVBMSXBDRI-KRWDZBQOSA-N 442.545 1.013 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1760218750 MFTCZAYLXWSTFR-GOSISDBHSA-N 427.530 1.223 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1760248024 YEJBIMOBDJKLBR-QGZVFWFLSA-N 432.550 1.159 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1760252377 FDAGZRVZYPAWQY-HSZRJFAPSA-N 427.549 1.627 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCN(C)C2)CC1 1760261431 RGEYYJZJECVWOK-DEOSSOPVSA-N 438.576 1.296 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@H]2OC)C1 1760534560 BFRNELFDQLTILH-RCCFBDPRSA-N 442.520 1.758 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCCC2)C1 1760535778 XCFWDNDKHKDEEA-IAGOWNOFSA-N 426.587 1.156 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1760536131 CZKBBBPNCJSJLP-WEMPKCCASA-N 436.553 1.763 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)C1 1760546420 OBQOHMPBIVCRGV-XXBNENTESA-N 427.549 1.725 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760559214 KOAVVCDTYOKHGK-MRXNPFEDSA-N 436.582 1.163 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCSC1(C)C 1761481621 AQBJHLCXCRWGJX-OGHNNQOOSA-N 430.575 1.862 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@](C)(O)CC)CCN2C1=O 1766926373 BKRFWSHFQGRHCI-HTAPYJJXSA-N 437.504 1.450 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1 1767342244 UWNMVELMRKRFKB-UHFFFAOYSA-N 427.534 1.974 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)(C#N)CC2)n1 1767532830 VYAUNGAOBXUAFU-UHFFFAOYSA-N 445.329 1.748 30 10 IDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1768335635 KNHGZVBJWSZIPV-WJOKGBTCSA-N 446.577 1.848 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768822839 GQXOBEVDXHFLBR-ZPHPHTNESA-N 430.509 1.517 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1769156093 BXKFGUHSRASPBS-HSZRJFAPSA-N 435.532 1.838 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)cc1OC 1770042828 FJUMQMFOPZISGI-LJQANCHMSA-N 437.497 1.839 30 10 IDEE COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)c1 1770300345 GWIBYIKQFWCGPE-OAHLLOKOSA-N 427.509 1.451 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCOCC2)CCOC1 1772844927 YPGNLQIVALEQBW-JOCHJYFZSA-N 432.569 1.781 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCO[C@@H](C#N)C1 1850781092 ZIUAFRMQFMKOCB-ZJUUUORDSA-N 425.816 1.777 30 10 IDEE C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CC(N2C(=O)CNC2=O)C1 1853187474 BBUDPJPWRHGGQT-CQSZACIVSA-N 428.452 1.554 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)c1 1854974622 FNZDINIPFDSNNH-PXNSSMCTSA-N 430.936 1.944 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1=O 1855961658 RNNBTJYOBMUKJM-AWEZNQCLSA-N 443.928 1.879 30 10 IDEE COc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc(OC)c1OC 1858334892 LIPWOYFTYMZOFP-MRXNPFEDSA-N 445.497 1.777 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2N)CC1=O 1874549372 PVYZXHCRVLCQMD-LLVKDONJSA-N 445.574 1.869 30 10 IDEE CCC(=O)N1CC[C@H](C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)C1 1890363374 GVGATEVSBKDPCI-NRFANRHFSA-N 432.609 1.282 30 10 IDEE CCCn1c(C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc2c(=O)n(C)c(=O)n(C)c21 1890560056 NYAARYOWGKXXCX-HNNXBMFYSA-N 436.472 1.009 30 10 IDEE C#CCOC1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1891835786 QRNVYNONDXGFPJ-OAQYLSRUSA-N 447.557 1.829 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1891951967 XZROAJMUQWYFPG-GDBMZVCRSA-N 435.440 1.500 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)cc1 1891970905 WOKOZYACGMSREM-GOSISDBHSA-N 428.514 1.858 30 10 IDEE CC#CCN(CC(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1900626384 SAFSPMFVKHCNRU-JKSUJKDBSA-N 425.526 1.733 30 10 IDEE C=CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2116269666 NXVXNNYSQSICJR-YPMHNXCESA-N 429.315 1.974 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243675425 WJAWQYWFKVLQEN-ZDUSSCGKSA-N 426.344 1.549 30 10 IDEE C=C(CS(=O)(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247909250 HEBVZLKZTPXILY-ZDUSSCGKSA-N 440.293 1.894 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]1CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403984 HTFRBITUHKFSNA-LBPRGKRZSA-N 438.359 1.987 30 10 IDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405101 RGDFHIVMCCCKMZ-NSHDSACASA-N 443.331 1.852 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255626679 IZLMBXGFWAPSPY-ASSNKEHSSA-N 432.330 1.838 30 10 IDEE CCC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2255639439 FLYVKSLKPGGKAO-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2255653902 PKEJLRQOJRLXEP-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2255823689 XRLPOARIEUOWNK-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256670868 KWCPFXBKIVYCAH-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256911603 DLMIPAPFOZQMJX-MRXNPFEDSA-N 428.298 1.024 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267285536 JVFZPRZSIKNYTN-ORQFMDKSSA-N 447.341 1.724 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CC[C@H]21 2267596584 KOBFZDSXNOBPEG-KGLIPLIRSA-N 447.345 1.338 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(O)cc2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296939492 KUUYWRLDNSCJNU-GOSISDBHSA-N 428.397 1.731 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2329045270 UNYSVYQYKCJRHP-CQSZACIVSA-N 448.505 1.973 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 27559565 LHMSHUNHPCICLQ-UHFFFAOYSA-N 427.549 1.217 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 109937879 ASFHXWYFXJDZON-LPHOPBHVSA-N 435.509 1.842 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 441792662 SXKDHRPLEYVIPC-HNNXBMFYSA-N 432.492 1.738 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 465261471 KOFHLMZIBQFFIX-UKRRQHHQSA-N 426.427 1.717 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1 469921979 ZFAQKHKMPCRSPK-IBGZPJMESA-N 434.562 1.596 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)c(F)c1 481077887 VKRATBBWDKAWCB-UHFFFAOYSA-N 430.505 1.856 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 482815284 MYEXTMNYBGARRW-WBVHZDCISA-N 428.514 1.629 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 485912818 JWABQUZKCFCIEH-UYAOXDASSA-N 437.562 1.861 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1C#N 489087710 JUOTXICAQDVLBF-UHFFFAOYSA-N 440.934 1.610 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC[C@H]1CS(N)(=O)=O)CCCC2 495057971 HKVKCZKAHVJESJ-JKSUJKDBSA-N 449.577 1.109 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 508334833 XHSIMRGIXFBJNW-UHFFFAOYSA-N 426.498 1.723 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 539504194 MJZVXGICRSZABF-OAHLLOKOSA-N 445.549 1.980 30 10 IDEE N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)c2)cc1 542598328 GKKMVRSCNCPKOZ-OAQYLSRUSA-N 434.496 1.813 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)CC1 611792065 MSZDLYOSKDFDIJ-QGZVFWFLSA-N 427.574 1.959 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 619510173 WURAXFFIHZNJID-IBGZPJMESA-N 431.562 1.034 30 10 IDEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732441036 DXAOSIJPCZCYET-PNBGARPFSA-N 427.505 1.194 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 732465575 HBWPTXLUXBOVQA-QURGRASLSA-N 447.495 1.834 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)C(F)(F)F)c(C)c2)CC1 747353919 NEQRHWGQEDQLBY-UHFFFAOYSA-N 448.467 1.317 30 10 IDEE COc1cc(OC)cc(N2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1 758753264 GISBIUZUKRSNBY-MRCUWXFGSA-N 443.504 1.452 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\CCCN(C)c2ccccc2)N(Cc2ccn(C)n2)C1=O 765549571 ZVDYGFZUAGUHRU-NKWDDMGQSA-N 428.562 1.883 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1 767672985 BEJPLXYPWSIZQN-KGLIPLIRSA-N 433.461 1.785 30 10 IDEE C#CCN(C(=O)NCC(=O)Nc1cc(Br)ccc1C)[C@H]1CCS(=O)(=O)C1 774187428 NJRMEWJVBJJQQY-AWEZNQCLSA-N 442.335 1.528 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 777896676 BUXPHDFCAQPEJV-GOEBONIOSA-N 447.962 1.566 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 784127101 UPKYDYAWUXYZKA-SFHVURJKSA-N 446.529 1.065 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCC2CS(=O)(=O)C2)C1=O 786690207 TZZCDMHOTGXHNC-FYEHZRRHSA-N 429.589 1.680 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ncc(C(=O)OCC)n1C 788163173 GELPOYZNAAKJBN-AWEZNQCLSA-N 447.517 1.833 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 789185395 RVMAOXYNCDPGAD-SJLPKXTDSA-N 430.509 1.433 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1 789322839 CYDAEQNASMUPHZ-UHFFFAOYSA-N 437.544 1.386 30 10 IDEE C[C@H]1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@@H](C)N1C(=O)[C@H](O)c1ccc(C#N)cc1 790028845 IWXKNPVQSARNHI-FHTPNYMGSA-N 432.480 1.645 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F 795804320 XIBXCVIJDKDLJE-JTQLQIEISA-N 425.887 1.630 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC(=O)N2C(C)(C)C)cn1 796426075 VWRDTJUVYADHAL-LPHOPBHVSA-N 428.493 1.307 30 10 IDEE C=CCN(C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 798182701 COIOTFWXNYCBLX-IAGOWNOFSA-N 429.583 1.425 30 10 IDEE CC(C)CN(C(=O)COC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCS(=O)(=O)C1 798800611 URHGZAMKTQWKDL-GOSISDBHSA-N 444.513 1.572 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 802568951 SFEUAUPBSDUALH-QGZVFWFLSA-N 425.493 1.494 30 10 IDEE C=CCn1c(-c2cccnc2)nn(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1=S 811789905 FJAJDNRZQYGMTG-UHFFFAOYSA-N 437.595 1.434 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 852994870 APLXLEQNNXIUBB-RDYUPDBUSA-N 434.518 1.347 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cnc21 916847814 WMCCPTIFVJZUGH-NSHDSACASA-N 435.469 1.596 30 10 IDEE CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700128 NFMHJJVYRKVJPZ-INIZCTEOSA-N 449.558 1.098 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1 1116556733 RXZUCSBMABQPFD-ZHALLVOQSA-N 437.562 1.700 30 10 IDEE C[C@]1(c2cccc(CNC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)c2)NC(=O)NC1=O 1117399305 JHVJXYPNQUMULN-QMHKHESXSA-N 435.459 1.895 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)c1 1124602141 GLDVFGFZPPVQGS-UHFFFAOYSA-N 434.499 1.257 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2Cc3ccccc3OC2=O)c1 1125418758 LXBYTRZWWBSAHN-UHFFFAOYSA-N 433.464 1.874 30 10 IDEE N#Cc1cccc(C2(NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CCOCC2)c1 1147811393 SGKUGESBWYJBJG-UHFFFAOYSA-N 427.482 1.253 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(I)s1 1208474012 NNBZEHVAVPMGIU-SECBINFHSA-N 447.341 1.717 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286390824 ABKFPDZDLZNLOR-QGZVFWFLSA-N 442.520 1.840 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1286391990 GTLKFESFIGSNTH-MOPGFXCFSA-N 429.546 1.437 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1286393734 RSGAQGIMAMXBSP-QGZVFWFLSA-N 433.578 1.630 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1286395430 RDIHCIBEMITLHE-SFHVURJKSA-N 445.589 1.723 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1286401448 QPJCHLIYJLCABL-QHCPKHFHSA-N 429.565 1.238 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1Cc1ccccc1 1286780277 NBMKSORZMUVIQB-WMZOPIPTSA-N 446.577 1.402 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1286786346 RCGYRODCAHXSOV-MJGOQNOKSA-N 443.596 1.275 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1286796662 MIQWBELZSUJHTA-HBFSDRIKSA-N 441.532 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1286821027 YQFGKUYFLIIDFH-SFHVURJKSA-N 439.582 1.568 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1288982990 HLNMLHWQECXGAR-KRWDZBQOSA-N 432.488 1.935 30 10 IDEE CC(C)N1C(=O)C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1c1ccc(Cl)c(F)c1 1295563145 RPEBPFBWSSTKAX-CRAIPNDOSA-N 447.854 1.480 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@H]2CCOC2)cn1 1299211011 XYFLTCTUIRUWRF-IBGZPJMESA-N 448.531 1.790 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 1299654822 NELUHKYIDCHQCO-BHYGNILZSA-N 448.545 1.835 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1300339273 LEJLDWRHIPJXJF-IIBYNOLFSA-N 449.552 1.929 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1300522861 OLNDBMZLTZSEKZ-IBGZPJMESA-N 427.468 1.554 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1(S(C)(=O)=O)CC1 1300674769 FMTLEJRGHPTMDV-UHFFFAOYSA-N 441.557 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(CC)C2CC2)CC1 1300726785 REQLQXJTKDOOPY-UHFFFAOYSA-N 435.576 1.714 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1300820691 DSUKVLUZWCIKOT-ZDUSSCGKSA-N 448.387 1.682 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOCC)CC1 1300882748 XGLRKOUFHVOQAV-UYAOXDASSA-N 427.553 1.875 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCNS(C)(=O)=O 1300882965 ZNSRCZHPBHXZEW-VQIMIIECSA-N 449.577 1.920 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300994460 UDYVNIQCXGXTSX-OAQYLSRUSA-N 431.562 1.872 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnnn1C 1301417000 LMLCHNMWVMZQGS-UHFFFAOYSA-N 431.522 1.164 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1303405488 VXDUWWNNWYAEPH-RTBURBONSA-N 445.568 1.179 30 10 IDEE CCCCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1306663945 DRBLHGHQEVLOEV-HTXNQAPBSA-N 438.492 1.688 30 10 IDEE CCOC(=O)C1([C@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOCC1 1308122449 URAAGDMBUYHIBA-ZWKOTPCHSA-N 448.589 1.795 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 1311613666 OPTNZTKNEXXZFD-PMACEKPBSA-N 428.533 1.257 30 10 IDEE C#CC1(O)CN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 1312851233 LBPJYWHUJNICHC-UHFFFAOYSA-N 442.560 1.935 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1323730323 SZVQAOXPJQNNAP-AWEZNQCLSA-N 433.983 1.511 30 10 IDEE C#CCCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1358917647 WYECCKRXAOONQR-HXUWFJFHSA-N 439.582 1.252 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1358920428 YVLLKNVJCPPOBR-KGLIPLIRSA-N 436.504 1.375 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC(C(N)=O)CC1 1358921085 OMJMCAVRAOMHCE-UHFFFAOYSA-N 443.577 1.662 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1358966470 POFCDUATXWPVEW-KRWDZBQOSA-N 448.618 1.662 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1358968653 UFRYNURLHHFJDS-JOCHJYFZSA-N 448.571 1.871 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1358998573 KAJZXLWRRDWXLD-CALCHBBNSA-N 428.537 1.600 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359025567 SNOZPCYSJOKPOP-SFHVURJKSA-N 449.552 1.376 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CCOC1 1360324971 VSMUFWFSINXPQP-DHIUTWEWSA-N 441.532 1.978 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1452948152 VHJJDQAOIIHRFM-DLBZAZTESA-N 439.534 1.378 30 10 IDEE Cc1nnc(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1Cc1ccccc1 1456612628 BSPCGANZZJHSOF-QFBILLFUSA-N 431.543 1.124 30 10 IDEE N#CC1(CCN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CCCCC1 1459682327 BMDNUUNLQJTGPB-UHFFFAOYSA-N 440.591 1.504 30 10 IDEE N#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1464060069 DIAKXTMDISDTIM-LBPRGKRZSA-N 425.454 1.842 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccc(C(=O)NO)cc3)=NO2)C1 1467530611 WKMCXASKXPWATR-OAQYLSRUSA-N 432.477 1.968 30 10 IDEE CN(C)[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1469886788 QRQSMUCGPIEAPU-XYJFISCASA-N 444.479 1.888 30 10 IDEE Cn1c(=O)[nH]c(NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)c(C#N)c1=O 1472696090 CRFJHOISIOSNNX-UHFFFAOYSA-N 441.307 1.372 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCO2)O1 1478567418 IGPOWGLLQFXFEJ-FHWLQOOXSA-N 428.489 1.221 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1478861191 LJNSNYKXSCTQJY-KRWDZBQOSA-N 444.488 1.764 30 10 IDEE C=CCC[C@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479379462 WGFMIRUOMCIPLQ-HZPDHXFCSA-N 425.526 1.946 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCN(C(C)=O)CC2)CCOC1 1502681304 GMKDCFMZVRSOEM-NHCUHLMSSA-N 434.516 1.631 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCCO)CCO1 1505321524 SEVVLUCFXLJHDS-QGZVFWFLSA-N 432.912 1.753 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1507536701 DLOONBOVNQBPKB-BXWFABGCSA-N 445.545 1.245 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507571851 PAKFYSKWYUPDBP-UHFFFAOYSA-N 438.580 1.600 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507623254 UBMXOIIZOGQIRK-BDTNDASRSA-N 439.560 1.686 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1507639769 MBEPRZILUUUKKJ-UXHICEINSA-N 444.557 1.105 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C(N)=O)nc1 1507669027 QLZQLEWFKPGHMC-UHFFFAOYSA-N 428.452 1.679 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507686908 IHSQLJPKDWVBPP-MRXNPFEDSA-N 425.459 1.791 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508071640 KZCATKOXKPJMSO-INIZCTEOSA-N 447.584 1.096 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cnccn2)CC1 1508085314 GXUUAIZRIYNVSM-UHFFFAOYSA-N 432.532 1.596 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1508095659 QDYPYTMPPSPZNX-FQEVSTJZSA-N 435.532 1.467 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1512497781 ICJBKMNFSPITSN-RKVPGOIHSA-N 437.504 1.809 30 10 IDEE CCCNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1515074629 WTJJOSQFYALZDB-UHFFFAOYSA-N 446.515 1.715 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C#N 1518633745 AGUNFGKFRPEYSH-HRCADAONSA-N 432.550 1.917 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C#N)o1 1519319626 MKAZWVCJZOWKPR-WBVHZDCISA-N 425.493 1.692 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 1532448681 KUBNBDQMPVQBOM-UHFFFAOYSA-N 437.518 1.789 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(C)S(=O)(=O)CC 1538993025 CZTBFJZQKXSJMQ-MRXNPFEDSA-N 447.561 1.846 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1539428624 VAZWXACNFHEFMB-UHFFFAOYSA-N 449.559 1.067 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2)CC1 1539431283 SRJQNGVVKBIRQN-QFIPXVFZSA-N 426.521 1.137 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](COC)OC)CC1 1539434931 YALYODJJBNNQJP-GOSISDBHSA-N 435.475 1.963 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539779522 ZVSPZWNBCWDAHN-ZWKOTPCHSA-N 426.993 1.971 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)NCCC)CC2)nnc1C(C)(C)C 1540908624 KENBLKMCSOFZKB-UHFFFAOYSA-N 425.599 1.919 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(OC[C@H]4CCOC4)CC3)C2=O)cc1 1546078260 JECAAZLMHIUIME-FXAWDEMLSA-N 440.500 1.807 30 10 IDEE COc1ccc2nc([C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)[nH]c2c1 1556295445 ZDPUEUFKWNOKOT-QWHCGFSZSA-N 427.486 1.987 30 10 IDEE CCOC(=O)[C@H](c1nc(Br)sc1C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1560194614 XQYFCDWUQHKYQD-ITDIGPHOSA-N 448.364 1.688 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1569024013 QYIQYXKDWXHZOY-GJZGRUSLSA-N 443.447 1.081 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1583062185 ZUDOVCOWFRQJID-GOSISDBHSA-N 441.509 1.485 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNc2nccc(C(F)(F)F)n2)s1 1586507551 YVMGQRZDISBOMT-UHFFFAOYSA-N 449.480 1.792 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1587638842 HOHKDSBCQFKMFJ-VQIMIIECSA-N 447.561 1.516 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)NCCC)c1 1587689480 IBCBAAXPMSRRTC-UHFFFAOYSA-N 431.500 1.923 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1587847589 OPHHCXANUHXORM-SFHVURJKSA-N 449.559 1.762 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1587927177 XHXCXFSSFPEAKI-UHFFFAOYSA-N 441.410 1.719 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588064809 PILRAAUIGRNZAP-SIKLNZKXSA-N 428.558 1.765 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCCC1(C)C 1588109810 OHXOPRIRTGTJHE-HSZRJFAPSA-N 430.516 1.935 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cc(CO)nn1 1588170257 CCJXOQSJJHJQHV-RTBURBONSA-N 425.537 1.444 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(C)C)CC1 1588835522 AEODLIFRSRQQSF-QGZVFWFLSA-N 425.624 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595784100 CIZJLSWNIXRUHU-UZLBHIALSA-N 433.534 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595785157 RSEDJRRJHTUEDY-OXQOHEQNSA-N 433.534 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1595788933 KYDWJRCBZTZZSS-AWEZNQCLSA-N 444.517 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1595798818 UBQFMVHGEBIZQI-SFHVURJKSA-N 434.566 1.848 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccc3C(=O)OC)cc2C1=O 1595944119 LIBXXOHYRJYUPC-UHFFFAOYSA-N 442.449 1.911 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CCO1 1596635570 VADSVQRCKFLHDK-HXUWFJFHSA-N 426.521 1.711 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCC(O)CC1 1602851642 ZQEKQPKHIGHGPG-UHFFFAOYSA-N 438.580 1.842 30 10 IDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1618521405 MCEVXEHNBWOYPR-CZUORRHYSA-N 427.295 1.572 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1620041366 GMHDOEAQEABXRK-FOIQADDNSA-N 429.456 1.140 30 10 IDEE CS(=O)(=O)N1CCc2c(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cccc21 1623572561 BFRQBYQXJWGCIO-UHFFFAOYSA-N 426.502 1.629 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1624813992 NKLYNJAGPHQEJA-VHSXEESVSA-N 445.261 1.812 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1630719720 JLASZOJZADUWHO-ZDUSSCGKSA-N 442.563 1.510 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)C2)C1 1633743329 QEHINLCSDKCNFD-OXJONJSCSA-N 440.566 1.300 30 10 IDEE Cn1cc(N2CC[C@@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2=O)cn1 1634126552 DMNVXIRESPDFGR-MMZUESARSA-N 442.520 1.428 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1 1636251616 WJAFHQDJQSCSRR-KRWDZBQOSA-N 435.546 1.973 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 1637870639 DPYNSOPBHDGSJJ-DYESRHJHSA-N 431.489 1.442 30 10 IDEE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1648002847 VGIUHRXHAVCGHC-QGZVFWFLSA-N 447.561 1.486 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1672601660 WLEGSDHQIBZWPT-HOCLYGCPSA-N 425.507 1.429 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 1683557359 DNDVFAIIHWXEAF-HNNXBMFYSA-N 449.964 1.473 30 10 IDEE C#CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1689980090 LLRXSOLXSABGKZ-RDJZCZTQSA-N 448.520 1.709 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1690043649 IYEHPKSYKZTRFC-UHFFFAOYSA-N 446.511 1.988 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12 1690093467 ABTDFRVPCWSRED-HNNXBMFYSA-N 431.518 1.769 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1690313608 YVHWLTAUDOIOAX-OFLPRAFFSA-N 445.561 1.388 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1690399483 YPJUKLHZCHOSLU-JOCHJYFZSA-N 443.552 1.874 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 1690420980 VEORGAATPDJKGR-MRXNPFEDSA-N 448.597 1.607 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1690464765 KFAYJESMQWRDCI-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690674278 VMWGFPOTNHXOHI-IAGOWNOFSA-N 432.550 1.320 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1690725403 OSTKYNAJBJMYTC-HXUWFJFHSA-N 435.525 1.311 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(O)cc1 1692525400 YEXDOMQEDVOYSZ-UHFFFAOYSA-N 433.472 1.705 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1692593072 WUVRYRWJXOCKHO-APOCOGJHSA-N 430.509 1.444 30 10 IDEE CC(C)OC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1692598101 CEURIZQMDWJVNS-AWEZNQCLSA-N 436.538 1.795 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1695496158 CLGAWNHGAWPMGO-UHFFFAOYSA-N 439.520 1.026 30 10 IDEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1696434777 UPIMJKVJHSFPTG-MOPGFXCFSA-N 445.545 1.666 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1696486896 KKWHMFOBJNVIQJ-UHFFFAOYSA-N 432.550 1.994 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1696940146 GFPRLUPXZGCMSC-QZTJIDSGSA-N 435.532 1.694 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)nc1 1705477434 ODGLLXLMGBWBCG-QZTJIDSGSA-N 428.537 1.740 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705570610 RXJLIJORHOWLIB-GOSISDBHSA-N 436.578 1.179 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(F)ccc2OC)CC1 1705643702 PMVGXPAUEPCRFM-UWJYYQICSA-N 443.523 1.953 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCC2)CC1 1705649819 FYXBZFKMCYPFOK-UHFFFAOYSA-N 441.605 1.695 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1705662099 QGPNHBXOCGUGSE-KRWDZBQOSA-N 441.623 1.604 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1705724597 AJGRYOWHMBKQFN-KRWDZBQOSA-N 444.561 1.625 30 10 IDEE C=C(C)COCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1705740701 UIZPGDMOKPPSSG-KNQAVFIVSA-N 430.553 1.699 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)NCC)CC1 1705905270 PLGAWUOVGAHIFN-UHFFFAOYSA-N 425.537 1.331 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1710308508 HXROXHJMIVTNKI-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1711291971 GBBCDCCCHNQGCE-KRWDZBQOSA-N 444.561 1.460 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1711409562 FRDMGYIIRXYOLR-KRWDZBQOSA-N 436.520 1.193 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CC2)cc1OC 1711774181 AFSVQXIFMRDZQW-INCQDFKNSA-N 431.518 1.602 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712055376 FUVFTGXJQCLTIO-QQMHEVNUSA-N 437.504 1.790 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1712596924 XXAPGGAVTAUDOM-SFHVURJKSA-N 433.534 1.493 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)CCN1C1CC1 1712885052 YBFXJZCNTMEIJT-NWDGAFQWSA-N 444.284 1.393 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1722280136 IZCJYSMEVONTCH-QGZVFWFLSA-N 431.562 1.529 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722358432 BQZJLTVSMQNPRV-KRWDZBQOSA-N 449.483 1.725 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367927 PBURXQGQJZAQLV-OALUTQOASA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1722373783 MIFRXTRXUBAGOV-MRXNPFEDSA-N 435.463 1.783 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)Cc1ccccc1 1722387402 LDRALKPYWAAUGN-UHFFFAOYSA-N 441.557 1.494 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOCC1 1722493667 JLTWJZGMUFEIAG-HOTGVXAUSA-N 444.374 1.679 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCS(C)(=O)=O 1722632831 JQNWLOZSGUTUDF-UHFFFAOYSA-N 446.371 1.730 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](NC(=O)OCC)C2)nnc1C(C)(C)C 1722731581 OODPMLCBLNBLMP-HNNXBMFYSA-N 427.571 1.891 30 10 IDEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CC(=O)NCC(F)F)C2 1724048652 APRFHMCBVGMDSB-HXUWFJFHSA-N 445.430 1.229 30 10 IDEE COCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1730783227 LORUILSAARJHKG-MXLIYFDZSA-N 431.541 1.085 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1740621234 JMABREYDLUVMIQ-CQSZACIVSA-N 436.335 1.875 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)NC1CC1 1740670317 OMSFWARIJOVACG-UHFFFAOYSA-N 436.564 1.970 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1740686356 RHPZYHBGKBBIDU-SQGPQFPESA-N 428.489 1.417 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1740708744 AMXKNRQFYHAODT-KRWDZBQOSA-N 448.618 1.581 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740986312 WESOWRTYBYJEBD-INIZCTEOSA-N 449.581 1.400 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740993537 DYMDQMXMEUMJRG-NRFANRHFSA-N 434.562 1.822 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741487099 RBEIGZCUHFYGQA-UAFUQJIBSA-N 446.552 1.633 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1743886757 DJBFPZMFSMMYJB-QAPCUYQASA-N 444.561 1.745 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748812109 PZPYSBOVFYZHBW-QZTJIDSGSA-N 431.562 1.870 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1748922477 AVGCARHYNABCSR-UHFFFAOYSA-N 433.516 1.827 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCOC2=O)CC1 1748999046 GIJFLNKHFDMXEW-UHFFFAOYSA-N 438.532 1.763 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCc2nc(C)no2)CC1 1749016756 NFAARYDAAAELCM-UHFFFAOYSA-N 448.531 1.554 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1749412997 QJIVBNSYLZDPSA-LBPRGKRZSA-N 425.477 1.748 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749457600 SNUZGKDCXPVEJB-QYZOEREBSA-N 432.569 1.369 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1749627259 JHFGYXYAKAYDRM-UXHICEINSA-N 427.549 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CC1 1749655348 IRNXMLOZRIGNFL-UHFFFAOYSA-N 432.550 1.344 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCCN2CCCC2)CC1 1749663824 RQCHZVUNCVVDNI-UHFFFAOYSA-N 442.568 1.062 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1760229809 GSUBJFGUAJMNMB-INIZCTEOSA-N 426.477 1.410 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1760248596 NVMHVAFUEXGNFZ-JKSUJKDBSA-N 434.541 1.476 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1760252774 VJSVUAYUDUOCKW-JXQFQVJHSA-N 442.608 1.893 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(N(C)C)CCOCC2)CC1 1760268231 NYZBSAUGYLNFTA-UHFFFAOYSA-N 439.564 1.350 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1760296723 VESBSVSFGAXBLZ-BDIWWCJBSA-N 431.500 1.782 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)N1CCOCC1 1760447564 MROJVIJLTOHVMK-UHFFFAOYSA-N 443.504 1.562 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCO[C@@H](C)C1 1760524364 WGTXYUONTKMDQQ-KRWDZBQOSA-N 440.552 1.370 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CCOC(C)(C)C)CC2)c1C#N 1762402466 BRIIVMZVVNDHFZ-QGZVFWFLSA-N 442.568 1.837 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCOC1 1766993543 AAQQNLPEYJVGNK-WOJBJXKFSA-N 440.548 1.801 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1767748842 BLSFBAMXXISDEE-INIZCTEOSA-N 430.534 1.214 30 10 IDEE COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1771270256 SERDGQISOWZHQV-VQIMIIECSA-N 425.555 1.363 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772791727 XWGHSRNTBWNWAA-INIZCTEOSA-N 441.465 1.894 30 10 IDEE CCCC(=O)O[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1848437849 MNVQDRXNQLFAHB-WIZQSHCGSA-N 446.540 1.879 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)c1 1849673474 LCWPAOMLKFKRKS-HXUWFJFHSA-N 439.541 1.764 30 10 IDEE N#CCC1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CC1 1851529026 XCYIJTKHDYCORD-NRFANRHFSA-N 428.558 1.962 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCN(Cc4cnnn4-c4ccccc4)CC3)cnc2c1C#N 1852035352 JIQZOJDRSBFIQA-UHFFFAOYSA-N 441.499 1.757 30 10 IDEE C[C@H]1C(=O)N(C(=O)COCc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854655524 HRNSZLRRDIZDEF-INIZCTEOSA-N 427.482 1.523 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)COc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004871 OQOOVFDWQHSTCE-MRXNPFEDSA-N 431.518 1.834 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN1CCC(O)CC1 1870648329 SPRZLPGORXVZFB-UHFFFAOYSA-N 441.528 1.695 30 10 IDEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccn2C)cc1OC 1874218869 IHUXVLVKLJYPTL-WSDLNYQXSA-N 428.518 1.879 30 10 IDEE C=CC1(N[C@]2(C(=O)O)COC[C@@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1904334324 FDGKZJZNQMALGE-RNODOKPDSA-N 427.498 1.498 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 1985780820 UXQVBBCRIZZGSR-AWEZNQCLSA-N 426.514 1.672 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545224 MMZFPIHPXIEVSC-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267126064 JJPAHVSXSGQKQP-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)n1 2267148036 VUKZAKHGIJYLEK-UHFFFAOYSA-N 440.353 1.933 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)n1 2267183538 OCJCYDUBAPSLGH-CABCVRRESA-N 446.357 1.801 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267527037 AOKLDFGCFJZLFI-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267546594 YUDOPSUVIBADHR-UONOGXRCSA-N 449.361 1.347 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 2267602552 OLHFIFQJOMUEJB-SFHVURJKSA-N 439.369 1.756 30 10 IDEE C[C@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282831248 HCABBUWEWJVUTN-OLUQVHSISA-N 442.821 1.834 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(O)cc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103121860 KUUYWRLDNSCJNU-VZCCSQPZSA-N 428.397 1.731 30 10 IDEE CCc1ccc(S(=O)(=O)/N=C2/C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 104596415 CLOHYRZZMCLCQW-MBDQKHHZSA-N 428.510 1.794 30 10 IDEE COc1cc(/C(N)=N/OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1OC(F)F 105591987 HAQQYBHANRYBRJ-UHFFFAOYSA-N 443.428 1.976 30 10 IDEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 484581961 IDNAQGGRQUXESS-UHFFFAOYSA-N 438.488 1.340 30 10 IDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508845976 PUJQURNFVCIHNK-FQEVSTJZSA-N 445.589 1.994 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 517603860 OGUNXQNIUSJVGM-ZDUSSCGKSA-N 442.335 1.580 30 10 IDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cccnc2C(F)(F)F)c1C#N 554731217 KVDJSQHUHNKILH-UHFFFAOYSA-N 430.412 1.575 30 10 IDEE CCN(C1CC1)S(=O)(=O)c1c(C)nn(CCS(=O)(=O)c2ccc(C#N)cn2)c1C 564202903 DQULPTWHDUYFFP-UHFFFAOYSA-N 437.547 1.414 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](CO)c3cccnc3)CC2)cc1 565794514 GVTLRCSBGNZGNR-IBGZPJMESA-N 428.514 1.246 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)c([N+](=O)[O-])c3)cc2)CC1 565866194 RQRVBRISKWYVJN-UHFFFAOYSA-N 430.442 1.976 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 569157641 ZAVRWIRUEPTYOG-IRXDYDNUSA-N 446.577 1.683 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 603797673 FBOZRKXVCDHKQA-HNNXBMFYSA-N 447.582 1.196 30 10 IDEE O=C(NCC#CCNC(=O)c1cc(=O)c2ccccc2[nH]1)c1cc(=O)c2ccccc2[nH]1 681341040 SYDPIWPWPFGMGF-UHFFFAOYSA-N 426.432 1.533 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)CC1 728532341 VULWINCAXBIMPF-BDTNDASRSA-N 436.556 1.354 30 10 IDEE C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 730095866 KNHRRDSOLICNAP-KRWDZBQOSA-N 429.464 1.636 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O 730142764 PFCMKZMKWACBRA-MRXNPFEDSA-N 435.525 1.104 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)c1 730723604 IERHVARFJMVNLW-SFHVURJKSA-N 425.514 1.856 30 10 IDEE C#CCN(CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 731213842 VVJMIZUDMIYMFD-AWEZNQCLSA-N 431.436 1.725 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 732155797 GBWYAIAITFIEON-LSDHQDQOSA-N 439.493 1.917 30 10 IDEE Cn1cccc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1=O 733502812 CPVKKWNVAKNTQT-OAHLLOKOSA-N 438.484 1.912 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 742500306 GOYWFQCFSFNJBG-IBGZPJMESA-N 430.549 1.741 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc1 744561596 ROULQXJVJKYWOI-QGZVFWFLSA-N 438.502 1.886 30 10 IDEE N#Cc1cccc(CNC(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)c1 750425627 LFPFEPPOXILTJH-UHFFFAOYSA-N 441.245 1.770 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 755538713 SZWWAGVOGNHOTC-MAUKXSAKSA-N 443.504 1.337 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 763881524 DENKFOVRQBHRJB-UHFFFAOYSA-N 430.486 1.966 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCS(=O)(=O)CC2CC2)C1=O 764883953 SXGAYHDJAMFWPA-INIZCTEOSA-N 434.543 1.451 30 10 IDEE C#CCN(C(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774241133 OZAXBAVMXOIJKL-OWCLPIDISA-N 443.566 1.579 30 10 IDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)N(CCC#N)c1ccccc1)S2(=O)=O 790030044 PNPDPKJAXBSZCG-UHFFFAOYSA-N 429.454 1.795 30 10 IDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 792657031 BFWJGKDMTWROBJ-SFHVURJKSA-N 442.516 1.801 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 794647957 VRDWEKLUESGXPQ-HNNXBMFYSA-N 441.578 1.697 30 10 IDEE C#CCN(C(=O)COc1ccc(Br)cc1C(C)=O)[C@H]1CCS(=O)(=O)C1 795470125 RJDAPCWETXLHNO-AWEZNQCLSA-N 428.304 1.679 30 10 IDEE Cc1ccc(N(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)[C@H]2C=CS(=O)(=O)C2)cc1C 798744852 CPKMGTQYEJGEMX-WBVHZDCISA-N 443.485 1.215 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 809890071 SPGCDYLFGUGLKM-VFNWGFHPSA-N 434.541 1.735 30 10 IDEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812426367 CKRMWGGNCVJDRA-KPFFTGBYSA-N 442.541 1.618 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c(=O)n1C[C@@H]1CCCO1 837882622 WWYZYWCPSSVOIK-PMACEKPBSA-N 437.521 1.673 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 914594484 BOLPUYAKJOCEIH-YJBOKZPZSA-N 434.514 1.827 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC4(CCOCC4)O3)C2=O)cc1 1134382043 MEFCEEWGURQEHU-ZWKOTPCHSA-N 426.473 1.608 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1135509541 VRPHJLABEWPRTG-XXBNENTESA-N 428.533 1.963 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)CC1 1140132643 LNGKLUPQCAWINP-IBGZPJMESA-N 430.505 1.008 30 10 IDEE Cc1cccnc1OC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1156667622 DGMAUROPLJSBSD-INIZCTEOSA-N 428.514 1.999 30 10 IDEE CCn1c(CCC(=O)NCC#C[C@H]2CCCCO2)nc2cc(S(=O)(=O)N(C)C)ccc21 1158986299 JLIDCMOPKVLHPL-QGZVFWFLSA-N 446.573 1.928 30 10 IDEE CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(CC(F)(F)F)C1 1168455364 NYCPWDGBKZVAND-ZDUSSCGKSA-N 432.468 1.600 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCC(=O)N(C)OCC(F)(F)F)ccc2c1=O 1184023908 XXYVPIKEBGUTRG-UHFFFAOYSA-N 430.408 1.553 30 10 IDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cc(-c2ccccc2)on1 1184272152 CTSNZPRXPKPYMD-UHFFFAOYSA-N 448.435 1.976 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)n1 1211731616 SXWQMBQKWPPRSX-UHFFFAOYSA-N 430.530 1.973 30 10 IDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1231087521 KFTFQNIVANVJSN-UHFFFAOYSA-N 425.536 1.300 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(c3ncc(I)cn3)CC2)nc1 1251657194 DFNYVSOWESTTMC-UHFFFAOYSA-N 449.256 1.380 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2nncn2C)c1 1286309529 MBUIGUAXEQJXTI-UHFFFAOYSA-N 427.472 1.573 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1286400370 DRPKEUQEWYNSKM-HSZRJFAPSA-N 427.549 1.652 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286511674 CRRUOUPBTMQPHE-WWMYMODYSA-N 449.577 1.620 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1286547379 OLMNRJOKVVFIOX-QZTJIDSGSA-N 433.553 1.783 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286600865 DTEXOFFEMFDKFS-FQEVSTJZSA-N 446.596 1.655 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1 1286765993 LQQNYZYHXYNHTC-FQEVSTJZSA-N 436.534 1.139 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC)[C@H](C)C1 1286782249 PBPMQTDTGSHRTE-MRXNPFEDSA-N 446.577 1.181 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C#N)cc1I 1288996641 JLUQFFXVWYSJKU-ZDUSSCGKSA-N 433.271 1.915 30 10 IDEE CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1292893192 LXKLLWVMJPHZGW-OXJNMPFZSA-N 425.537 1.732 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)s1 1293252393 JPXOEZKZHWFMKN-QGZVFWFLSA-N 440.635 1.382 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1297309818 LWKGXEAHRJJOPL-LSDHHAIUSA-N 432.447 1.197 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cc(CO)nn1 1300276224 JFIHXDONUZSBAA-MRXNPFEDSA-N 431.504 1.967 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1300302590 CETZJOJLHPQMLM-CABCVRRESA-N 429.529 1.422 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2COCCO2)c1 1300334583 QYJLVYBCUMXRRP-PMACEKPBSA-N 439.516 1.991 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1300430087 HANANBSSPSGPMN-LSDHHAIUSA-N 440.570 1.357 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1300431788 LDHWWSZRTBJIIN-HSZRJFAPSA-N 441.532 1.914 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccn(CC)c1=O 1300532747 ZQZKZESCXUKYNC-UHFFFAOYSA-N 439.479 1.897 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1300672338 YXJNUGXSDYFEGZ-QGZVFWFLSA-N 439.582 1.133 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC2(OC)CCC2)CC1 1300708039 MDQLGVUSNNQBJT-UHFFFAOYSA-N 442.589 1.984 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300731731 HXLHLZJLYUKCTP-INIZCTEOSA-N 439.607 1.284 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1)c1ccccc1 1301002904 ADALIPWXVAPEIZ-WMZOPIPTSA-N 444.561 1.413 30 10 IDEE CC(C)N1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1301952071 GHSKUQUVEFPHPP-BRWVUGGUSA-N 425.603 1.605 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCSCCCO)CCO1 1303004150 NKNIPKBYUCAPAB-QGZVFWFLSA-N 427.534 1.361 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1305271790 VXSQRBGYNANXHH-ZJYNUGOYSA-N 427.509 1.177 30 10 IDEE CN1CCN(c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)c3cnccc23)CC1 1305733373 OPLVDVIPTHBXCA-GHVJWSGMSA-N 434.500 1.842 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1307830879 GQRAZMJOSJOMIT-QGZVFWFLSA-N 435.546 1.532 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)N2CCN(CCC#N)CC2)c1 1309994775 GNNZMPQNYXYVSQ-UHFFFAOYSA-N 436.582 1.846 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315094331 CUBCDMINKQHUCD-RJCBAWPRSA-N 436.472 1.471 30 10 IDEE COc1ncccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1315675928 CECMDEKLRREWJY-LAUBAEHRSA-N 428.493 1.499 30 10 IDEE COC[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1315945490 JWJAHHGMABMXMV-SGRLSNSRSA-N 444.536 1.389 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1358889421 BQVXFWPNHDBYEF-FUHWJXTLSA-N 449.602 1.861 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1358960569 HHSKFFVEEKDZFI-HXUWFJFHSA-N 436.541 1.913 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965359 SYYZONQFCJWYOZ-HXUWFJFHSA-N 442.589 1.377 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC 1359025113 DFBYVJNPMYADLK-QGZVFWFLSA-N 437.541 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOC[C@H]2CCOC2)CC1 1359047892 XOHQPPCVPSGZHD-UYAOXDASSA-N 445.564 1.539 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1359056236 AYQISWYXQHNGFW-KRWDZBQOSA-N 448.618 1.664 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1359323248 KQPNDPMHCCMICC-RDJZCZTQSA-N 437.591 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCCN(CC)C(=O)C1 1359333936 OSMCAPHZEWXVQR-UHFFFAOYSA-N 437.591 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2oncc2C1 1359335005 XFWCTWRLKHQKLC-UHFFFAOYSA-N 431.522 1.291 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1359620137 LPHFNFVBLOCPGQ-PMACEKPBSA-N 438.532 1.973 30 10 IDEE Cc1ccn2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCC(C#N)CC3)nc2c1 1361115191 AKVMDVFHYLUHER-OAHLLOKOSA-N 442.549 1.633 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCCCS3(=O)=O)C2)C1 1446729605 AJQPHXMUHJXSGO-QNBXZPKWSA-N 425.551 1.857 30 10 IDEE COc1ccc([C@H](CO)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1451107165 KPKKMQYGHIVNOZ-PXNSSMCTSA-N 436.468 1.664 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2cccc(Br)c2)CC1 1455114429 DFCZAKSEWKAQNE-UHFFFAOYSA-N 432.365 1.153 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccc(OCC)cc3)n2)CC1 1455114680 HLUDKEAEZPOJPV-UHFFFAOYSA-N 448.570 1.363 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(=O)n(-c3ccccc3)n2C)ccc1F 1456041108 KSYAYBUKOKBHAB-UHFFFAOYSA-N 444.488 1.709 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)c1 1456393061 GPBXIPPUZIGJFU-JOCHJYFZSA-N 433.526 1.794 30 10 IDEE C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1470368081 JSCDMKBGDMUMMR-YZVOILCLSA-N 428.555 1.650 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(C)(C)O)n1 1492748122 XGMUYTGUYAFRAM-UHFFFAOYSA-N 436.520 1.836 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](COC)OC 1499327896 BUIUXIDYIGJJHN-ROUUACIJSA-N 428.493 1.105 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1502375630 MKBIMWHLMXAQHP-QHCPKHFHSA-N 435.532 1.695 30 10 IDEE CCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1503210916 JYLUTQXBUUYCAO-JKSUJKDBSA-N 436.513 1.352 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1505027358 OYHBAIHNOJOHCE-PBYQXAPXSA-N 429.546 1.970 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1O 1505267434 BXADXUNOPRTCEF-LZQZEXGQSA-N 444.561 1.448 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1505322701 SOCRCQJNWLQDNG-HKUYNNGSSA-N 435.463 1.552 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1507515790 INPJZTGHEQAWGP-STQMWFEESA-N 449.968 1.935 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2nccnc2C)CC1 1507737953 DNVPGFIMPCZBIV-HXUWFJFHSA-N 437.548 1.827 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507811297 PODYIXNJBULCNY-MSQSPTIYSA-N 433.553 1.612 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(O)c2)CC1 1507904115 XFQYMZVODASEDG-IBGZPJMESA-N 447.561 1.767 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1508096249 DMFHMXJLUQCPRD-KRWDZBQOSA-N 438.532 1.794 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1508136937 WNKJDPUEBRLQSS-SFHVURJKSA-N 447.561 1.075 30 10 IDEE CC(C)NC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1509776852 KYCIIWVERLDYIA-HNNXBMFYSA-N 432.550 1.660 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1Br 1533373429 QOFFOLIAFAPSII-UHFFFAOYSA-N 439.291 1.597 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CCS(=O)(=O)CC1 1538556594 TYUJWIVNNJOOTB-GOSISDBHSA-N 448.541 1.995 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1539172113 SYGWFWTVIRJZIA-QGZVFWFLSA-N 433.516 1.659 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1539220108 PPAVKFKEIKGLNU-ZWKOTPCHSA-N 430.578 1.877 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)Cc2ccccc2C1 1539238663 BCLUHPOHAMKOAC-KRWDZBQOSA-N 425.558 1.766 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1539427650 GBYLXAXEKQROBV-UHFFFAOYSA-N 449.603 1.271 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539533065 JVZAQHZDYPJRMQ-ULQDDVLXSA-N 442.607 1.382 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1539632484 SCQQRGAJHBRFHE-RZFLPCETSA-N 440.566 1.011 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539802916 BXPYOWSYZBVKSE-JKSUJKDBSA-N 429.974 1.091 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)cc1 1540728854 YJRADEXGOKBQJR-UHFFFAOYSA-N 432.433 1.681 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540866591 SMWIXLGAMHXWGA-FQEVSTJZSA-N 432.887 1.899 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)Cn2ccc(C)n2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367623 AGOZUNSRVRJZDA-QGZVFWFLSA-N 434.422 1.545 30 10 IDEE CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554377600 HSAZGFXOESMULS-MOPGFXCFSA-N 449.559 1.916 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1555738357 RDXPEDRLWCQBJC-YQPJHWBJSA-N 428.493 1.295 30 10 IDEE Cc1cc(O)nc(N2CCC(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 1558500620 BEFDLHDXHCCHKC-UHFFFAOYSA-N 425.493 1.660 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1559457304 JWDLVVCWIKTLIH-UHFFFAOYSA-N 443.481 1.799 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 1565718449 IUQTXKJOHFNEDS-QGZVFWFLSA-N 426.473 1.973 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 1568773705 FCMCSSNDJKEWDW-CVEARBPZSA-N 428.961 1.834 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2)C[C@@H](C)O1 1586254869 SKWFKZHOZSJOMM-OKILXGFUSA-N 445.501 1.335 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCN(C)C)CC1 1589134488 LHVIOFLPIWSMBE-XMMPIXPASA-N 441.624 1.780 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589559406 QZLOPRHAVUMGEP-AZUAARDMSA-N 444.580 1.385 30 10 IDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1593788669 CGBHKGZQMVNBIV-SFHVURJKSA-N 445.545 1.782 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ncc(Cl)n1C 1595517255 VGCMAHYNGZMGKE-UHFFFAOYSA-N 443.895 1.999 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1595838488 UUKQBWWWXQBIIU-UHFFFAOYSA-N 436.626 1.884 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1616144965 FIJCZOWCZGPZJQ-XZOQPEGZSA-N 438.532 1.917 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1617907289 CBQNYGNBUWYGKT-FQEVSTJZSA-N 426.502 1.331 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c1 1618085408 FIKXRHIKAPHZFD-UHFFFAOYSA-N 425.510 1.545 30 10 IDEE N#C[C@]12CN(C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1618171565 CIDLEDYERXOTNY-GHTZIAJQSA-N 431.514 1.432 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 1618826590 HGMMBABLOGIYHY-UHFFFAOYSA-N 439.911 1.828 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)C1 1620347949 HPJMYSPVFJEAHB-OAQYLSRUSA-N 425.468 1.871 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCCCN2CCCC2)cc1 1620351942 IPMRYINQJADZBJ-UHFFFAOYSA-N 437.548 1.931 30 10 IDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 1620531505 IJGKUYMPQIGHDO-UHFFFAOYSA-N 433.574 1.958 30 10 IDEE C#CCn1cc(CNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)cn1 1626745007 PAZFEQLZQRKPBT-UHFFFAOYSA-N 428.290 1.666 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1636714585 DNTMBFFPSQSIST-DOTOQJQBSA-N 445.520 1.849 30 10 IDEE C#CC1(O)CN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CCCCC)C1 1636813115 KWDSKPCZGQHAKZ-UHFFFAOYSA-N 429.521 1.428 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccc(I)c(Cl)c2)c(=O)nc1O 1639830170 XXFIOEINVOWKJZ-UHFFFAOYSA-N 430.589 1.717 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CC(=O)N2CCC(C(=O)OCC)CC2)c1 1641674521 AXKCTCKVDNQWOM-UHFFFAOYSA-N 428.489 1.050 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)CCOC1 1641764943 XBBXZMVWPLWKNR-JOCHJYFZSA-N 428.489 1.143 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2Cc3cccnc3NC2=O)C1 1643856600 IXKZROQSYUVQPG-HNNXBMFYSA-N 426.274 1.832 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@@H](CCO)C2CCCC2)CC1 1644665563 KDCSFMPKQXFFPL-KRWDZBQOSA-N 427.505 1.986 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@H]1C(F)(F)F 1644886157 BGXMZPJJEPFUIY-VXGBXAGGSA-N 445.398 1.125 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1646450949 XHJQJSFSEZDRPM-MAUKXSAKSA-N 429.498 1.516 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c1 1656432928 SPRPZYXKOQWDTE-CRAIPNDOSA-N 443.447 1.758 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC 1657128581 GXDOFWQEFDXOQJ-UHFFFAOYSA-N 429.564 1.175 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OCC 1670886542 OWULDWLLULDRGT-NSHDSACASA-N 445.847 1.670 30 10 IDEE CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1675651518 OLMHOPSHRDOEBI-KXBFYZLASA-N 440.566 1.746 30 10 IDEE C=CC[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1686987021 MYSVRYITBSJDPQ-SFHVURJKSA-N 436.578 1.755 30 10 IDEE C#CCN(C(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1)[C@H]1CCS(=O)(=O)C1 1687867557 OOVNEYAHKOSZHZ-ZDHUNYLQSA-N 425.551 1.654 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1690043625 HTODPWJPMVOUFB-UHFFFAOYSA-N 443.511 1.181 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)=O)C1 1690101206 RUQZJELJYOIMKK-QGZVFWFLSA-N 442.520 1.350 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1690212157 AAOKGZZLCSHTDA-HXUWFJFHSA-N 435.525 1.928 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1690266046 ZBVCEUFKOPWOKA-CQSZACIVSA-N 448.387 1.922 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 1690417097 DVKFCYANZLPYJO-QGZVFWFLSA-N 441.623 1.911 30 10 IDEE Cc1occc1CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692930979 LOXJFBDQDZBWQN-IGGDJGDASA-N 426.477 1.846 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC2CC2)cc1C 1693118815 DZBPGSHPXZITDP-GOSISDBHSA-N 437.504 1.402 30 10 IDEE CCN1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1695867402 APHAOMKKXIWXSS-AUSIDOKSSA-N 442.612 1.670 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1=O 1696882267 BDNACFXOYYCDKV-KRWDZBQOSA-N 444.586 1.856 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1697567838 MKBJIUBKPFGYFZ-DSGGYQJVSA-N 438.488 1.705 30 10 IDEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1698492127 ARQHAQCPVMEXHG-ROUUACIJSA-N 437.504 1.170 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564748 PSSVVGDZYWGZAU-QGZVFWFLSA-N 446.577 1.073 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1705570689 SMJIECRKFIKGPC-IBGZPJMESA-N 443.573 1.168 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1705627651 MVHXRTTYJMMIBI-CVEARBPZSA-N 434.541 1.571 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CCC(=O)N1CCOCC1 1705629443 IULKCSOUIRGZFQ-UHFFFAOYSA-N 425.533 1.512 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2CCS(=O)(=O)CC2)CC1 1705637177 MFQVMTATQDKNPV-UHFFFAOYSA-N 443.573 1.534 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705704558 WNXWGXNMWJHCMQ-HKUYNNGSSA-N 446.577 1.793 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705904943 DCAZKTDPDIXRMP-UHFFFAOYSA-N 425.537 1.261 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C1 1705922719 RGDCPZSUERTIKO-OAGGEKHMSA-N 442.486 1.895 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1706074785 DRUVOQFWJBDYSO-OWSLCNJRSA-N 430.532 1.724 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1706746843 FDUIDTADNPPCRJ-GOEBONIOSA-N 431.518 1.738 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1712020478 IDOQCLCOCSQURO-HUUCEWRRSA-N 428.518 1.586 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1722291463 QQXJXLPHIGZNBQ-WBVHZDCISA-N 429.525 1.826 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722367430 NGTQRQPOWAUGTB-MAUKXSAKSA-N 448.520 1.605 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722371576 KKRYHURUYYDLFZ-FQEVSTJZSA-N 442.585 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1722445664 VRVMCRLHOZRNQV-UHFFFAOYSA-N 445.527 1.309 30 10 IDEE C=C(Br)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1722488534 HUCXDTCGOYUCOR-UHFFFAOYSA-N 425.375 1.885 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722532777 WDPNCAKQUGHZBI-GOSISDBHSA-N 430.553 1.661 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722698530 GYZUHPWPCQAAND-KRWDZBQOSA-N 434.541 1.389 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722698925 PGICQKYFPGSWSI-QRWLVFNGSA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C)C1 1722731990 SLAMQXMVDAQKAS-MRXNPFEDSA-N 436.534 1.692 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CCO1 1722843771 QPLFXXRPNGILCD-WOJBJXKFSA-N 438.532 1.973 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1723645603 BTGIORQAIBJYOV-GOSISDBHSA-N 444.561 1.745 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1723700518 FZADEDXYYUGJEO-QGZVFWFLSA-N 448.474 1.828 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)cc1OC 1728216422 BHLRDISFCZWNTB-INIZCTEOSA-N 449.533 1.516 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1730852194 QOOWOPFYVMQULA-SIFCLUCFSA-N 433.513 1.120 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740567273 PMSMZEYJZSPAKQ-AWEZNQCLSA-N 443.533 1.227 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1740610282 VYSSZYZFSMAUJV-CVEARBPZSA-N 439.582 1.799 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740621542 NGARROKGXRGRID-OALUTQOASA-N 444.605 1.785 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1740622246 BEUMTJQUMRGRNX-HNNXBMFYSA-N 443.558 1.429 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740904506 MZNQMJMQHDBQEJ-GOSISDBHSA-N 426.926 1.682 30 10 IDEE CC1(C)COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1742007032 CTTLKPALVFBKNL-GOSISDBHSA-N 441.492 1.693 30 10 IDEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1742627716 BJHCNCIYAMAARJ-VQIMIIECSA-N 435.529 1.608 30 10 IDEE CCCN(CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745611128 DHVFNBMIWGSIFR-SFHVURJKSA-N 438.536 1.496 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1745711330 AGMXICHXBGUQRE-MBOZVWFJSA-N 438.573 1.887 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748811441 GZCQCMWBUHHPOC-ZWKOTPCHSA-N 432.594 1.641 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1748960694 MUGCEUJHICWEGA-UHFFFAOYSA-N 449.533 1.059 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F 1748960842 OOMSPAUKFZKRAD-AWEZNQCLSA-N 425.386 1.920 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1748984726 YNIUEAXRUOMNBK-UHFFFAOYSA-N 446.502 1.926 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccoc2)CC1 1749003412 JDFYCQPFVNYTIN-QFIPXVFZSA-N 427.505 1.537 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749034012 UILTWUSJVJKCJL-UWJYYQICSA-N 429.521 1.833 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1)C1CC1 1749519643 ONFIYUVQMHBELY-ROUUACIJSA-N 439.582 1.725 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc(CC)nc2C)C1 1749697731 MZYNSFSWJBRUAY-CABCVRRESA-N 438.554 1.577 30 10 IDEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1750243624 GNXWYFRAKRNBGS-KXBFYZLASA-N 444.561 1.822 30 10 IDEE C#CCCCCn1c(N(CC#C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1760142377 AUOIIZSSQBZBRO-NQIIRXRSSA-N 434.562 1.360 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1OCCCOC)[C@H]1CCS(=O)(=O)C1 1760181126 PWPVCIUJZHYLNB-FQEVSTJZSA-N 446.573 1.985 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1760186698 FLGBHKFZBONVLI-HOTGVXAUSA-N 435.575 1.846 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccn(CC)c2=O)CC1 1760267790 AJEMRDWJORDQEP-UHFFFAOYSA-N 433.516 1.469 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCOCC2)CC1 1760267910 FSKWWPWWKDWFAF-GOSISDBHSA-N 439.564 1.207 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760522886 FLSTZUFPKKOKIG-UHFFFAOYSA-N 441.565 1.041 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1761367225 DPBWAUCQWUISPM-AWEZNQCLSA-N 430.534 1.342 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCCCCC1 1770831322 UOCNQCQBKJZCRU-HTXNQAPBSA-N 427.509 1.421 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C 1771136416 QGQIRTYTODDFJL-DZFGPLHGSA-N 440.548 1.514 30 10 IDEE COCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1771276783 LUXQCOGGGZWJMH-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)ON1C(=O)c2ccccc2C1=O 1772790461 RVCAWULJSHEHRQ-UHFFFAOYSA-N 436.467 1.066 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 1848609132 LSXKELPDGHPDOE-LJQANCHMSA-N 443.504 1.594 30 10 IDEE NC(=NOCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccncc1 1853562803 NXJPUWQMMOQDFR-UHFFFAOYSA-N 441.923 1.754 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)cc1Cl 1855224436 KOAJSEFZWOXDQG-CYBMUJFWSA-N 432.889 1.977 30 10 IDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1)CC2 1857212158 HRAZHBNWEFKMCV-CVEARBPZSA-N 433.505 1.600 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2cccc(C#N)c2)c2ccccn12)[C@@H]1CCS(=O)(=O)C1 1858242057 OTOFLFLXFYIBGB-MRXNPFEDSA-N 437.481 1.717 30 10 IDEE C=CCOc1ccccc1OCC(=O)NCCc1ccc(S(=O)(=O)NCCOC)cc1 1859555989 QPDOTCWEPRKXNQ-UHFFFAOYSA-N 448.541 1.914 30 10 IDEE N#Cc1ccccc1NC(=O)CCc1nnc(NS(=O)(=O)c2ccc(F)cc2)nc1O 1860889662 XNOYDJHSSMHDMD-UHFFFAOYSA-N 442.432 1.960 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](CCC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862130550 DNJFTHKISHJIAY-QGZVFWFLSA-N 447.532 1.928 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1F 1865730067 XLHBPNXPJFCDGY-OAHLLOKOSA-N 426.448 1.118 30 10 IDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1 1870099508 JKHMVLPDQBFFRG-UHFFFAOYSA-N 439.413 1.745 30 10 IDEE CN(C)CC#CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1 1891259070 FOSDPANTQRKXFJ-HXUWFJFHSA-N 433.961 1.911 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2060637626 MYLCFVDUCYGAQX-UHFFFAOYSA-N 434.302 1.350 30 10 IDEE C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243675852 BIBZDEBSIPHSJA-LLVKDONJSA-N 426.348 1.701 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C=C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248416022 KNLLVTGYFKQLQQ-RYUDHWBXSA-N 436.343 1.667 30 10 IDEE CC1(C)OB(c2occc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255704004 AYOAAOPPKNFMPS-RYUDHWBXSA-N 428.216 1.957 30 10 IDEE Cc1c(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832418 LTKWLMFXHPWVJK-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]1NC(=O)C(F)(F)F 2255833953 CDCLKLQKRASKNU-ZYHUDNBSSA-N 447.288 1.971 30 10 IDEE Cc1cnc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255863660 XUIUKAONJLPUPN-UHFFFAOYSA-N 427.232 1.440 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267516228 ATIHCHFDDBUPDG-LZWOXQAQSA-N 446.357 1.765 30 10 IDEE CN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286021176 PHCWKFIZDYJWSS-SFHVURJKSA-N 431.470 1.699 30 10 IDEE CC1(C)OB(C=CCNC(=O)c2nc(S(C)(=O)=O)ncc2Br)OC1(C)C 2289416496 HAIVTBOXALCABE-UHFFFAOYSA-N 446.132 1.560 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2334262402 NRLOTPINSVBUEU-FZKCQIBNSA-N 449.357 1.805 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 2923819 GVYVTLSNSWTAKO-UHFFFAOYSA-N 433.574 1.937 30 10 IDEE COCCC/N=C(/Nc1ccc(C(=O)O)cc1)N1CCN(CC(=O)N2CCCC2)CC1 21047098 VSFQSQXWZDVDCM-UHFFFAOYSA-N 431.537 1.429 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)CC1 110002797 LFRZLSKZNPOCCL-OAQYLSRUSA-N 426.561 1.432 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@@H]1CCCO1 461376832 OLLIIKYMWCCFGC-SFHVURJKSA-N 439.537 1.040 30 10 IDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 464737736 XKDVZXNSNXKTRE-HNNXBMFYSA-N 427.461 1.340 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOCc2ccccc2)CC1 475192571 REKWODSCPMESDH-UHFFFAOYSA-N 428.514 1.791 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc([N+](=O)[O-])c1C 478055393 DYUDKJWRNQMMJZ-UHFFFAOYSA-N 444.469 1.930 30 10 IDEE CCc1cnc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)s1 482378201 DKNKXALROGCDOU-AWEZNQCLSA-N 433.559 1.593 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1C#N 489109629 PRGZYCGKFFSDEE-UHFFFAOYSA-N 438.506 1.532 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(NC(=O)C3CC3)c2)CC1 505125907 QDWILHLEGVJKKY-UHFFFAOYSA-N 439.497 1.448 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 507080924 WQFYNXDKMIIBDJ-SFHVURJKSA-N 443.544 1.812 30 10 IDEE CS(=O)(=O)c1cccc([C@@H](NC(=O)NCC(=O)NCC#N)c2cc(F)ccc2F)c1 511900582 IJTDYBZCOKISHR-GOSISDBHSA-N 436.440 1.397 30 10 IDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@H]1CCCCO1 521278249 HHDHFLXHYICFHX-GOSISDBHSA-N 444.561 1.792 30 10 IDEE Cn1cc(N2CCC[C@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 525012093 VSUCMEUNRUZJST-LPHOPBHVSA-N 435.488 1.282 30 10 IDEE N#CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 525331554 XXYWANDBFOHDDP-MRXNPFEDSA-N 441.351 1.270 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3ccccn3)cc21 526896163 HRMQGQVIIMCPCA-KJEZJMDVSA-N 427.482 1.952 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)o1 532448567 BHMFYEIJJZSWKW-UHFFFAOYSA-N 425.466 1.558 30 10 IDEE CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 533147170 ALEKPPQUWOZNTB-UEVCKROQSA-N 428.581 1.390 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 534883046 TWURUULLEBANSD-OAHLLOKOSA-N 428.532 1.408 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 549272336 CXZFXZRITWJKAL-AWEZNQCLSA-N 433.600 1.258 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)CC1 554776635 UAXPXJDOPVKWBH-UHFFFAOYSA-N 433.574 1.610 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 603800220 UNSRDZHBOPRCCS-GOSISDBHSA-N 439.537 1.269 30 10 IDEE COC(=O)CCN(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 610799662 PDXUHUQQGQJEIJ-MRXNPFEDSA-N 429.498 1.817 30 10 IDEE Nc1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)O)cc3C=C2S(=O)(=O)O)cc1 725396793 DDZQXHDOFVXNLZ-UHFFFAOYSA-N 439.427 1.114 30 10 IDEE C#CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 729332430 XHJNUTYMQBSTNA-CYBMUJFWSA-N 435.487 1.137 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730138403 CGAMLIIQXAOBPA-KRWDZBQOSA-N 433.578 1.439 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 742889343 AZHHCELJFYJYEV-VYDXJSESSA-N 432.546 1.411 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCc1ccnc(C#N)c1 746953423 HYPBBDHZAQXOFP-VBKZILBWSA-N 425.466 1.878 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)cc1C#N 747496440 KLHZQSMJMAOJLL-UHFFFAOYSA-N 442.497 1.605 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 768514953 ZCPPRKURDPSZRC-ICSRJNTNSA-N 445.928 1.953 30 10 IDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 769742909 UQUOJEBNRYHUHS-INIZCTEOSA-N 446.510 1.789 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(Br)ncc3N)CC2)o1 782357970 CPGSCNRGHTYMTP-UHFFFAOYSA-N 449.265 1.100 30 10 IDEE C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 791093241 RBRGRBUBKDFHLP-KSFYIVLOSA-N 443.525 1.294 30 10 IDEE C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 803698750 ZAKDSYBCAKEFRO-KRWDZBQOSA-N 446.525 1.549 30 10 IDEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812310440 XLJLLPQBETZFGM-HBFSDRIKSA-N 442.541 1.760 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCCCc2nc(-c3ccncc3)no2)c1 913276996 CIPHPRKUKKTQMG-UHFFFAOYSA-N 426.454 1.833 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccsc3C(=O)OC)cc2C1=O 916180550 DWUJUUYMUYFTRD-UHFFFAOYSA-N 434.451 1.435 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 1125382193 HYWGCEPDKBTTLQ-QGZVFWFLSA-N 427.505 1.182 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OCC 1132415059 FXUXJVJMHZPUPP-MRXNPFEDSA-N 445.925 1.456 30 10 IDEE CCNS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1137311250 IHCMMUXTVXPWNZ-UHFFFAOYSA-N 439.490 1.351 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N[C@H](CO)C(=O)OCc1ccccc1 1137990666 BBTIPAVMNLYRRF-MRXNPFEDSA-N 433.258 1.920 30 10 IDEE C=CCOc1ccc(CC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1152947480 SLQYNDMIZPKGQX-UHFFFAOYSA-N 444.509 1.754 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)ccc2c1=O 1167853912 GSGAMLRUXFNZDY-UHFFFAOYSA-N 448.501 1.588 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CNC(CO)(CO)C(F)(F)F)cc1 1174735338 MAAXNEMKIDWKNL-UHFFFAOYSA-N 440.422 1.788 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1286398775 OZVYXJVCMUWGOL-VQTJNVASSA-N 444.557 1.951 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1c1cnn(C)c1 1286467462 WSEJRBWVKWYXGN-HXUWFJFHSA-N 434.548 1.752 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nnc(CC)s2)CC1 1286492480 GSABZQRFXIXFBO-MRXNPFEDSA-N 443.577 1.600 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCC(O)CC2)CC1 1286651423 DLNGGNGNDGYDBK-INIZCTEOSA-N 440.614 1.138 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1286776465 ZJENPCIVUAGPLO-IBGZPJMESA-N 447.561 1.758 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1286785969 KZQKFNJGNQUDRM-SJORKVTESA-N 444.923 1.763 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1286790260 MAVBGOUCBQEHNU-UHFFFAOYSA-N 448.531 1.318 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286818763 NNBRWUJOJONPGE-HZPDHXFCSA-N 432.550 1.132 30 10 IDEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCN(C)C)CCO2 1291325928 OQTQRLJZFIZLEL-WZONZLPQSA-N 440.548 1.779 30 10 IDEE C[C@@H](CC(=O)Nc1c[nH]c(C(=O)N2CCCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1296057698 CNFWTDDPBACRNG-ZDUSSCGKSA-N 429.502 1.707 30 10 IDEE C=CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)C(=O)OCC 1296237029 UEWRDLXAYDKQCH-CABCVRRESA-N 444.575 1.911 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1298185897 CEWXJBKQIXEZSN-INIZCTEOSA-N 427.486 1.993 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(Cc2ccccc2)CCO1 1300479149 JHARTTCKJFGNEH-BDTNDASRSA-N 439.560 1.973 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1300493461 UQWKRGVURMVVAR-CJNGLKHVSA-N 435.575 1.994 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300503577 DWSKYBZBWBPEBB-KRWDZBQOSA-N 436.509 1.659 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(C)COCCO2)CC1 1300691085 OFGQFQMEGHQSHR-HSZRJFAPSA-N 441.532 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C)CCOCC2)CC1 1300722886 NAGJYIALNDDLAP-QGZVFWFLSA-N 428.537 1.012 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCCO[C@@H](C)C2)CC1 1300730937 HJJBMHRZRQSGEQ-IBGZPJMESA-N 446.596 1.281 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC1(OCCOC)CCOCC1 1300801841 VJYKZJYXYAPCEP-OAQYLSRUSA-N 426.521 1.939 30 10 IDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300948859 DZDNAYZCPSKJTB-ZWKOTPCHSA-N 439.582 1.727 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301503164 UWMAOOOBWUGZFE-UYAOXDASSA-N 445.612 1.158 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1301809087 KIBBPSKRLBUBRW-HZPDHXFCSA-N 425.555 1.362 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301825635 TYRARTPJERRLQN-OSCRUYLVSA-N 427.509 1.177 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC1 1302921458 FERCAKSTYLJCGL-UHFFFAOYSA-N 434.543 1.353 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1303454001 KJMRMLPBYSVWGC-GOSISDBHSA-N 449.519 1.686 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)C1 1303557904 HENZCHHACFAIBK-QGZVFWFLSA-N 426.521 1.624 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1303635507 HFPDTXUEBCDSQE-JLTOFOAXSA-N 444.565 1.455 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)Cn1nc(Br)c(Br)n1)C2 1304489387 CVZPCOMLWQIBRL-UHFFFAOYSA-N 446.128 1.903 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCOCCCO)CC2)c1C#N 1304732008 VOYGOKDKRPOPDI-UHFFFAOYSA-N 430.557 1.215 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1305266273 JWACQCZTILHJHW-BZROSYFNSA-N 443.552 1.498 30 10 IDEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOCC1 1305274283 IFOYGVXSEFHYQB-UHFFFAOYSA-N 449.529 1.295 30 10 IDEE CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1306650269 BVQDZJZOCRQIOX-AWEZNQCLSA-N 430.534 1.905 30 10 IDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC[C@H]1CNS(C)(=O)=O 1307977527 ZBEMZBHHHCUGCG-HUUCEWRRSA-N 426.564 1.269 30 10 IDEE CN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 1309859109 GGPOHANSBILPKZ-FQEVSTJZSA-N 446.960 1.875 30 10 IDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)n1 1315497357 GDMTUJCEOXDYQU-VFNWGFHPSA-N 425.493 1.820 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359182908 XHTPWSXGUOBQJH-INIZCTEOSA-N 445.568 1.785 30 10 IDEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1359196599 MNBPHJLBLQEBFO-UHFFFAOYSA-N 436.582 1.801 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1360172900 HSTQJGKDBROZFR-UHFFFAOYSA-N 444.561 1.749 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1450164763 LIWHILJNZUHNKZ-ZWKOTPCHSA-N 433.461 1.048 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 1462896046 LQNHIXSGGBABJJ-GFCCVEGCSA-N 426.438 1.551 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)=NO2)C1 1464759078 HIVCAYRFUAUEAT-UHFFFAOYSA-N 440.504 1.804 30 10 IDEE CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1465299032 AIWTVIYPZBLTOO-QUCCMNQESA-N 442.516 1.756 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCS(=O)(=O)CCO1)CCCC2 1473894078 FQYQIGXOMXHVCR-HNNXBMFYSA-N 436.534 1.018 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504585206 HLOPXRCAXPULDE-MSOLQXFVSA-N 427.509 1.037 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1505291246 OHBSUEQMBUXWCE-ZJYNUGOYSA-N 439.520 1.814 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1507518620 MAZHWJVGVAEURR-WZONZLPQSA-N 440.548 1.668 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncn(C)n1 1507539668 AILJMPCFLXXDKL-IBGZPJMESA-N 433.564 1.278 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)CCOC)CC1 1507742455 IGRDRMIXVLNJNB-HSZRJFAPSA-N 440.548 1.017 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1 1507790890 FBOFNTDLLPDBLG-IPYPFGDCSA-N 428.331 1.578 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1508076885 WMVCZEHJJWPZLB-DLBZAZTESA-N 444.511 1.380 30 10 IDEE CC(C)Cc1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509236705 YVCFWRSFZIIGMG-FMQUCBEESA-N 444.536 1.389 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC(C)(C)O1 1512418313 DPXKGMJPVROWBO-INIZCTEOSA-N 436.520 1.995 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)O1 1513532980 IUNXHGSFKSSWRV-JFTQMJAMSA-N 428.534 1.678 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516847323 RUFQUKYFTFFRGL-MSOLQXFVSA-N 439.545 1.956 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccncc2)CC1 1538965025 ZMTCHEMQYOOJDU-LJQANCHMSA-N 438.580 1.482 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1539016813 VRGNLAJKLZNSMF-YESZJQIVSA-N 431.566 1.041 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1539040511 UYGLLVXLNDKSBZ-MRCUWXFGSA-N 433.472 1.169 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1539226221 VQUYWPVYBYRWOR-IBGZPJMESA-N 429.546 1.483 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1539324862 YNFKCOVXWHLRJE-MRXNPFEDSA-N 430.505 1.839 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(S(=O)(=O)NC)c1 1539383545 FRXIGIOQMRDKTN-HKUYNNGSSA-N 447.561 1.418 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(C)(C)N2CCOCC2)CC1 1539466863 IKGSBSZCVOFTSJ-SFHVURJKSA-N 430.597 1.868 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1)C1CC1 1540107838 DFJWIODKHDYLCP-QGZVFWFLSA-N 448.549 1.218 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOC(C)(C)C1 1540866173 FJZYEQQWMWDHRX-UHFFFAOYSA-N 447.971 1.843 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1540871167 FXVQFMKSGHHTEQ-SFHVURJKSA-N 438.532 1.483 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)cc1 1542446206 COEMTCWHVOQQBY-QGZVFWFLSA-N 432.550 1.939 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=C3CCCN=C3NN2)c1 1544607830 JMTBWBXHLVFDSU-UQQQWYQISA-N 430.534 1.772 30 10 IDEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1554759076 OEDIXNJDVISCGX-ROUUACIJSA-N 443.504 1.329 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOCC1CCOCC1 1555753913 YEWCWHBAZVYZRL-ZCNNSNEGSA-N 449.552 1.564 30 10 IDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(C#CCO)c2)c1 1556577719 OGLUSQXVDBKLCC-UHFFFAOYSA-N 429.542 1.903 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1566231726 WOTYUZZLHDYBMP-VFNWGFHPSA-N 438.525 1.720 30 10 IDEE C[C@@H](CC(=O)NCc1ccc(-c2nnco2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1568613826 DSRPGTFBJVPOEA-ZDUSSCGKSA-N 425.470 1.870 30 10 IDEE C=CC1(CC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CN(C(=O)OC(C)(C)C)C1 1568682634 AAODBYWMCJOFOB-UHFFFAOYSA-N 438.546 1.882 30 10 IDEE N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1F 1586933078 ZLJBEBDTHRHKKU-UHFFFAOYSA-N 436.396 1.891 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCC(=O)N2CCOCC2)c1 1587683292 GRSOPFOGAIMIHB-UHFFFAOYSA-N 438.532 1.707 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1587862094 SUYGLNVOZBQLTG-QZTJIDSGSA-N 435.594 1.726 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588138215 AGSGKQRNTUAVGK-QGZVFWFLSA-N 447.561 1.120 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1588673326 OMKBUSILKHBFAV-UHFFFAOYSA-N 448.531 1.628 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2COCCO2)CC1 1588733100 NDTAHNVAHIVHAG-FQEVSTJZSA-N 438.532 1.318 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595760954 VIJQJLZHWWKNTR-QZTJIDSGSA-N 425.599 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)cc1F 1595789179 OORZIUBMGKAXJK-MRXNPFEDSA-N 439.488 1.745 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1597705669 CWBSGCPKMFVZBB-ADKRDUOOSA-N 449.602 1.987 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c1 1598355685 QEOFTQDTAAQLAN-UHFFFAOYSA-N 444.488 1.202 30 10 IDEE C=CC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C(=O)OCC 1611408583 OPLWHCDKSLYMJR-ZIAGYGMSSA-N 442.490 1.233 30 10 IDEE CN1CCN(C(=O)CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1616218164 HTGNBZUIYCEYQT-JQHMZKTJSA-N 433.553 1.054 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1 1616566298 FQDAKJDFLXPUDP-GNZRSQJKSA-N 428.449 1.512 30 10 IDEE CCCCc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1 1617487625 PGKBGXMWEBLLRA-SPEDKVCISA-N 429.542 1.779 30 10 IDEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1623826197 GJYQTMKAWSXCKO-QGZVFWFLSA-N 437.905 1.534 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1nc2n(c1=O)CCCC2 1624930772 CCCHBIBMPPDFPJ-AWEZNQCLSA-N 427.933 1.923 30 10 IDEE Cc1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1S(=O)(=O)NCC#N 1629116422 MFFMANVTTQQDLZ-UHFFFAOYSA-N 428.514 1.402 30 10 IDEE C#CCCOc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 1635101804 CIEIYOGEDGBISN-IBGZPJMESA-N 449.555 1.665 30 10 IDEE N#Cc1ccc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1 1638333674 HFNDBJCAORISDP-UHFFFAOYSA-N 446.554 1.549 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCc4c(sc(N)c4C#N)C3)CC2)cn1C 1639988955 AXHPPXSMEPXXGQ-UHFFFAOYSA-N 448.574 1.230 30 10 IDEE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1641520591 BUBQGICRDLASDJ-MRXNPFEDSA-N 434.470 1.963 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1644465706 JNUDDSOLROIJFU-ZDUSSCGKSA-N 431.352 1.984 30 10 IDEE C[C@@H]1COCCN1C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1645880457 DYYVSDRGWJNHSE-XXBNENTESA-N 443.567 1.720 30 10 IDEE COc1cc(C(=O)NCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc(OC)c1OC 1652920084 URXZJKAHWMOPRT-FQEVSTJZSA-N 439.468 1.914 30 10 IDEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)C1CCOCC1 1658995200 DZDYPBORIXSDDL-FQEVSTJZSA-N 434.562 1.563 30 10 IDEE C#C[C@@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 1662112832 LVLAARFKGABHGJ-LJQANCHMSA-N 430.457 1.732 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1666053072 CNQCOAUZUDOUBH-WOJBJXKFSA-N 435.546 1.041 30 10 IDEE Cc1cccc2c1C[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CO2 1684228930 YUJXXNNUFUVBGH-SFHVURJKSA-N 440.525 1.886 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1690091520 WICPHDWCCVFCDF-LAUBAEHRSA-N 448.520 1.111 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC(=O)N(C)C 1690096341 RGPFKNBGCAZOIS-UHFFFAOYSA-N 426.340 1.943 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690663428 WIVGTCZPAGJLSN-GOSISDBHSA-N 436.476 1.332 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(N2CCCC2=O)CC1 1690722740 UJTCXHDTEABDBC-UHFFFAOYSA-N 446.577 1.476 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1690745133 YMYYRIVTJFIITL-HNNXBMFYSA-N 439.607 1.206 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCSC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1692546289 CWERMZBVJPAONX-ICFOKQHNSA-N 447.565 1.275 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cccc(F)c1 1692801926 NRXSIARQYRESOI-YOEHRIQHSA-N 436.513 1.389 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1694031258 NOPNSYYHBLYPIB-QFQWUVHXSA-N 427.553 1.991 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1695537947 KXOMCSBCWQRVGX-IBGZPJMESA-N 446.577 1.408 30 10 IDEE COc1ccc(OC)c(CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1697474519 DKDRPRJOOBNJQP-SFHVURJKSA-N 442.520 1.795 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698486505 LTKFTALIHFPFBU-CILBIJLJSA-N 427.484 1.979 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1698488591 GEIYVTKPHXELEZ-GOSISDBHSA-N 445.545 1.780 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1705612916 SHEFTYCUCMQMLU-INIZCTEOSA-N 431.566 1.200 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCC(F)F)CC1 1705638219 CIXUMTMUBQYYOT-UHFFFAOYSA-N 436.463 1.433 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCN2CC)CC1 1705642227 LPIIPZWEDZSYBK-SFHVURJKSA-N 441.605 1.509 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705668655 QULUJAAGLCKJCY-TYFMXVJSSA-N 435.594 1.822 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1705709512 QKGTYEICDVBCPV-ABSDTBQOSA-N 442.582 1.392 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1705934713 VCJLGAPIWRRSKP-UHFFFAOYSA-N 435.594 1.985 30 10 IDEE CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1708766831 FLUDWXKRZGABMP-JKSUJKDBSA-N 447.540 1.546 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1709013542 IADLGJANTMONRX-OAHLLOKOSA-N 448.531 1.836 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCCO 1711085335 CXYJHSCXMVJYEW-SFHVURJKSA-N 433.534 1.087 30 10 IDEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1712389255 LMVYQVUGXDGZLT-IBGZPJMESA-N 436.513 1.674 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722360716 JEVSJKYIEZEHHW-MRXNPFEDSA-N 434.591 1.591 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C)CCOCC1 1722423708 MMMLZXZPSHRPLG-UHFFFAOYSA-N 436.520 1.824 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722445326 UWBZMMKLOZNLFW-HXUWFJFHSA-N 430.597 1.724 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722452281 CXQJZMHIKXKPDW-MRXNPFEDSA-N 429.550 1.956 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1722485713 QJQFQMATHCXZKY-ZIAGYGMSSA-N 449.371 1.331 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1722623998 QIJSFRUJOKOTFX-UHFFFAOYSA-N 447.561 1.643 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1Cc1nnn(C)n1 1722656954 MGUSLVVLHAACFU-UHFFFAOYSA-N 426.488 1.900 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1722697064 HVUBESMJIVBVML-HNNXBMFYSA-N 434.504 1.573 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1728357627 MKTSOIJVHDFFHO-UHFFFAOYSA-N 448.531 1.843 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1729484930 OLEUPIJRHGIOCB-UHFFFAOYSA-N 447.561 1.741 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1740610154 SZLTYUMPKPGYAD-SFHVURJKSA-N 429.546 1.135 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCN(CC)CC1 1740613234 YTKUBJRANFPILP-QGZVFWFLSA-N 429.594 1.365 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1740620273 DAJRORQSJGIQQJ-KRWDZBQOSA-N 433.578 1.973 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740627652 RQXIFZWVAKTBRS-PKOBYXMFSA-N 432.521 1.791 30 10 IDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1CCN1CCCS1(=O)=O 1740643484 MXJJRXGKPVYZEL-UHFFFAOYSA-N 425.558 1.562 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740644045 RYXIEMVZPCUJNT-DQRAZIAOSA-N 448.458 1.595 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1740653491 OBWKFAKZJHFQEI-NRFANRHFSA-N 444.539 1.863 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1740682224 NVKLMTAEAJLMID-OAQYLSRUSA-N 444.513 1.327 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)n1 1740689409 VMPSVJAGDZJICX-WZONZLPQSA-N 444.580 1.889 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740714669 GWYJBHLFTZLIBW-MRXNPFEDSA-N 449.602 1.838 30 10 IDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740875602 GPKVCBHSECXRKY-LJQANCHMSA-N 432.569 1.119 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741701780 PBEPHSKRRWSORT-UHFFFAOYSA-N 432.488 1.323 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@@H]1CCOC1 1741917385 DNUVXBNGUCEVLL-WBVHZDCISA-N 440.570 1.071 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1746459517 CYPVCDQDAWWOME-AZUAARDMSA-N 438.580 1.651 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1748672692 WTBWTYHMBSNMFB-ZNMIVQPWSA-N 433.500 1.522 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1748972573 LOYCTEHZPWBDGV-IBGZPJMESA-N 429.613 1.274 30 10 IDEE COc1ccccc1OCCN(C)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1749099402 BQZKVAYUBKZTIV-FMQUCBEESA-N 426.477 1.637 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1749125825 YKSFDKCWZZHTMZ-OXJNMPFZSA-N 426.521 1.792 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749269041 MBVROSBCCACFQI-CVEARBPZSA-N 429.974 1.929 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1749669316 JAAQUSJEVBKWRN-DOTOQJQBSA-N 447.561 1.979 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749681217 YNOLQQCBRBRHMW-AOMKIAJQSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2)C1 1749731260 ABIFKRYJQZRNNK-ZWKOTPCHSA-N 445.545 1.408 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749741100 PLVPEIZBXYTUGA-JKSUJKDBSA-N 425.555 1.225 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1750386907 PQJMBGWIZASPMF-QZTJIDSGSA-N 445.545 1.765 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1760099966 OSPCMDNWRYJPER-LAUBAEHRSA-N 432.546 1.862 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)s1 1760194813 QXMIRCQRTFGLBA-ZDUSSCGKSA-N 425.967 1.919 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1760217921 RJYJGIJTUOPRCA-KRWDZBQOSA-N 428.537 1.949 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760280195 DKCQSRGFRHCYQZ-RBUKOAKNSA-N 430.578 1.867 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC)CC1 1760302242 XGFUZYMQYLGQKC-CYBMUJFWSA-N 432.319 1.799 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1760450690 PRILXDLCZMRYEX-ULQDDVLXSA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@](F)(C#N)C1 1760528192 VGQNFTDILXPKNW-OAQYLSRUSA-N 428.468 2.000 30 10 IDEE CC(=O)N1CCN(CCn2c(COc3cccc(C)c3)nnc2N(C)C[C@H](C)C#N)CC1 1760624201 DCXDWUFUBIXDET-LJQANCHMSA-N 439.564 1.926 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1761368089 KNKUTSJTFZTGEX-UXRKVSLXSA-N 441.467 1.311 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCSCCCO)n1 1762454211 BQPWHVAOUAINFN-LJQANCHMSA-N 444.609 1.432 30 10 IDEE CN(CCC(F)(F)F)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1768829976 CLOQXISIMBQYFI-KTEBKFLVSA-N 441.414 1.144 30 10 IDEE CN1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1851735540 NHFQDLGYLOADSJ-HXUWFJFHSA-N 446.960 1.875 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3c(C#N)cccc3OC)CC2)cc1 1852446456 BFENQJFTPBPHRS-UHFFFAOYSA-N 445.497 1.487 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CC1 1852673351 SURYDNBHYIMQJW-UHFFFAOYSA-N 427.408 1.480 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC#CCN1CCCC1 1852968320 JVKPFCGMKHKMIZ-CQSZACIVSA-N 428.352 1.331 30 10 IDEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854652508 LEJIHOLYNUGKGS-ZDUSSCGKSA-N 432.889 1.977 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cc2ccn(C)n2)CC1 1855573952 IPXQTDSXYCGECN-UHFFFAOYSA-N 428.514 1.809 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)[C@H](C)C2=O)CC1=O 1856317867 LMMRHHVKRZRCNF-IAGOWNOFSA-N 433.530 1.086 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)C1 1856438477 BOVUPATXSJGDPH-QGZVFWFLSA-N 432.546 1.838 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N(CCO)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1857959913 AXXICYVFUHRKFR-SFHVURJKSA-N 431.445 1.311 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1 1859011019 LJYWKZZHZAKQQX-UHFFFAOYSA-N 430.438 1.436 30 10 IDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)NCCN2C(=O)CSC2=O)cc1 1860733394 BIGAIALVDOREJB-JXMROGBWSA-N 447.513 1.328 30 10 IDEE COc1cccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1870107389 HCKLEQHLDJTBRO-UHFFFAOYSA-N 430.424 1.831 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCCCCO 1870545948 ZXMCNAMPBHFING-NRFANRHFSA-N 447.576 1.859 30 10 IDEE CN(CCC#N)C(=O)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1982219167 NLXQLFOQNFOGSW-UHFFFAOYSA-N 427.546 1.710 30 10 IDEE NCC#Cc1cc(Cl)c(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)c(Cl)c1 2152220254 NTBVHZDYNFXMFP-UHFFFAOYSA-N 426.325 1.980 30 10 IDEE C[C@@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCN1C(=O)OC(C)(C)C 2248401298 HMJYNJLIEBQTQH-NEPJUHHUSA-N 438.359 1.843 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255601659 HMLQMGBHHXGXJK-PWSUYJOCSA-N 430.236 1.381 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2267568834 KHSCMPQBGZXZRO-UHFFFAOYSA-N 448.373 1.596 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267591836 IVKUTHAIUPUYEA-CQSZACIVSA-N 448.329 1.142 30 10 IDEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1C 2296935986 SJPHGTDQNBPASD-GOSISDBHSA-N 426.473 1.796 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2312855576 AOXJVHKOMZQSSO-BPLDGKMQSA-N 432.330 1.457 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2320986468 KASAPQSIINVZBE-UHFFFAOYSA-N 436.314 1.172 30 10 IDEE Cn1cc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2352403428 KIEQTNWUKCKLHT-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1 15445426 SMYOKRWHDCDTTC-UHFFFAOYSA-N 425.514 1.598 30 10 IDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)cc(OC)c1 20527333 QRRZJWWUUFVTAN-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE COc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)ccc1S(=O)(=O)N1CCCC1 427218008 SUJCQOYPNRAHSR-UHFFFAOYSA-N 436.515 1.856 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 460929345 DSQSVSJMSXOVNV-YESZJQIVSA-N 441.598 1.827 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1 473375035 RRKJKUIYIYWUCB-IBGZPJMESA-N 435.484 1.996 30 10 IDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 477636814 NWEBMYFVVGMXKP-UHFFFAOYSA-N 434.518 1.021 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 478746305 LSTCBJNGIUQLAG-SJLPKXTDSA-N 442.512 1.727 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nnc3ccccn23)CC1 479968627 UTDNQSRNZSHQCQ-OAHLLOKOSA-N 438.513 1.674 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 480054924 CWEUNYGNFDJRAK-UHFFFAOYSA-N 443.463 1.970 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 507509907 UXHFSBKFTIQWLB-KRWDZBQOSA-N 448.589 1.356 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 532709630 NMIAULGTAPTQJP-UHFFFAOYSA-N 431.583 1.872 30 10 IDEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545463878 ZQYMAJSZXHSOHJ-INIZCTEOSA-N 428.514 1.720 30 10 IDEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 545494354 YBZXCSBGCRYPMG-UHFFFAOYSA-N 432.484 1.540 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 549327117 XCAREBUBTWEHGS-OALUTQOASA-N 426.521 1.291 30 10 IDEE CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2 560730242 DTPOQTBONGUSGS-NYHFZMIOSA-N 431.537 1.962 30 10 IDEE COc1cc(CNC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)ccc1C#N 563755914 PCODHAOWJJULIM-HUUCEWRRSA-N 426.477 1.721 30 10 IDEE N#Cc1cc(Br)cn(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1=O 581913194 VTSMRGBMKLWUHR-UHFFFAOYSA-N 443.301 1.903 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)C1 619851307 BFEAXDWCFORTDO-MSOLQXFVSA-N 430.534 1.514 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(C2CCN(C(=O)C(C)C)CC2)C1=O 726111846 DXXQIAPZZSLHDB-JJEKXKKKSA-N 445.589 1.707 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)cn1 732561509 OIJSYPSODNDXMY-GOSISDBHSA-N 434.521 1.691 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCc1ccc(I)s1 733894569 BZIAYMSPWVEGKS-PFONDFGASA-N 445.282 1.928 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(Cl)cc3)c2=O)cn1 735068887 HWOGIYASWCUCDY-UHFFFAOYSA-N 427.917 1.408 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)OCO4)c2=O)cn1 735295497 YTRZURJLEAEZKX-UHFFFAOYSA-N 434.477 1.233 30 10 IDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1ccc(COc2ccccc2C#N)o1 735774042 UDRSJTJOLMNFLI-MRXNPFEDSA-N 447.469 1.732 30 10 IDEE N#Cc1csc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 752586283 HEQINCVVNVSIQS-WDZFZDKYSA-N 445.522 1.921 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 755303024 DPBJOAYIORSJAC-UHFFFAOYSA-N 446.455 1.099 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 756671727 JKCPGZVHPXIUKG-IRXDYDNUSA-N 430.530 1.776 30 10 IDEE C=CCn1c(=C(C#N)C#N)sc(=Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)c1=O 766387983 PDPGYEKJJWZWQL-UHFFFAOYSA-N 431.521 1.993 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@H](O)c2ccco2)CC1 775976453 FKQUERUGMQAYHM-QRVBRYPASA-N 444.557 1.874 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)OCC)O3)n1 788694371 OSTKMMZAMJJPQG-FQEVSTJZSA-N 447.513 1.220 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)n1 788861630 VBAVUIFMBHZISN-UHFFFAOYSA-N 425.537 1.021 30 10 IDEE CC(C)n1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 796742553 BMXQPMGBXQICFA-KRWDZBQOSA-N 444.517 1.995 30 10 IDEE C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC(=O)N1C 800528704 QQFCVPGWUTXFEV-VGLIXDPASA-N 435.550 1.974 30 10 IDEE C#C[C@@H](C(C)C)n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191720 GBPXIUZZGVUKKL-KRWDZBQOSA-N 430.559 1.924 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c1 808437858 NSBSSQXDVMSBES-AWEZNQCLSA-N 440.481 1.604 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@@H](C)c1cccs1 813564509 DCMIRXWIWRKRJU-YZNQHSICSA-N 439.607 1.312 30 10 IDEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2cnn(C(C)C)c2)n1N 1084097015 RQDRWRBMSIBEEG-UHFFFAOYSA-N 429.510 1.955 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1152947508 UQSLURIQLKFNRF-VQHVLOKHSA-N 442.493 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cccc(C#CCO)c2)C1 1154558378 YMBCAWCPRHYDMW-GOSISDBHSA-N 436.530 1.184 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)[C@H]1c1ccnn1C 1156253663 GJNQTAKNKDPZKV-HBGVWJBISA-N 437.504 1.078 30 10 IDEE CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1156677105 YYWZLAXAQOVIRW-DJJJIMSYSA-N 437.522 1.362 30 10 IDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)c1ccccc1 1163097007 OHCQJYHXDNNWKV-OALUTQOASA-N 428.510 1.719 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1 1164643050 GZGIJXXRRLQYMZ-QUCCMNQESA-N 426.517 1.670 30 10 IDEE C[C@]1(C2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)COC(=O)N1 1178031586 BESDDBPMFAPWGR-HXUWFJFHSA-N 434.518 1.242 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 1194096702 MCHIPKXJQHNXGM-UHFFFAOYSA-N 431.539 1.032 30 10 IDEE CN(CCC#N)C(=O)CCN1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1196276570 UYMWHUCOXRPIRV-UHFFFAOYSA-N 436.557 1.039 30 10 IDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1198573706 OOBCPUCMUNHWPR-KRWDZBQOSA-N 427.501 1.854 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1286298970 RQCDWGSGPORMPF-DOTOQJQBSA-N 430.530 1.732 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286389525 LPBCULNZECTNBL-IAGOWNOFSA-N 431.566 1.092 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1CC 1286409461 MBSBPUAEKHSALC-QYZOEREBSA-N 433.578 1.510 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286516727 LEENENWXHXUPND-FIYPYCPBSA-N 437.566 1.219 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286711320 MUSZHCWXODLZHS-SFHVURJKSA-N 440.552 1.910 30 10 IDEE C=CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)C(=O)OCC 1296237034 UEWRDLXAYDKQCH-HUUCEWRRSA-N 444.575 1.911 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)Cc3ccc(C#N)nc3)C2)C(=O)C1 1296661709 ODIFIPKMQJUJRE-SFHVURJKSA-N 427.505 1.566 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(S(C)(=O)=O)ccc2F)s1 1296943557 IGQZDTYQEDIBHN-UHFFFAOYSA-N 446.547 1.614 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 1299859771 CUYYKWJLOFDRBU-TZMCWYRMSA-N 446.451 1.285 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300506813 ZMXVFTRFCNNCOD-RTBURBONSA-N 435.594 1.632 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(F)ccc2OC)CC1 1300684059 WSNXAVVCXLLEAI-QGZVFWFLSA-N 431.512 1.953 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1300704040 ZUHBESLHKMZJRE-UHFFFAOYSA-N 436.608 1.045 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(CO)c2)CC1 1300719685 LSMKSTKRADBCPQ-UHFFFAOYSA-N 432.528 1.790 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1300777861 FIRYCFCFHLTXEK-QFIPXVFZSA-N 449.621 1.991 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(N)=O)C1 1300893504 ZVDALMPDAHPQBM-DAYGRLMNSA-N 444.561 1.562 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301197899 RETPJQUVNBEUOV-UHFFFAOYSA-N 431.541 1.055 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1301362817 KEQRQZZICHZYIL-LSDHHAIUSA-N 435.575 1.713 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1C 1301477436 AOSIMGBMDNWKKB-FUHWJXTLSA-N 446.577 1.840 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1301967679 FPPAZLNRMYAQBB-XLIONFOSSA-N 442.589 1.834 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1303376395 CXZAPTHTXRXXRE-HTXNQAPBSA-N 441.536 1.713 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1315798048 HFKIPVFXGQNEID-MSOLQXFVSA-N 439.520 1.089 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1316239487 SLOQJFWHFXXOTM-UHFFFAOYSA-N 426.521 1.973 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1358886036 WNGVPGBOWAXCIO-DLBZAZTESA-N 436.516 1.938 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](C(F)F)N1CCOCC1 1358900867 UMEYRIHOBGAIEA-XDNAFOTISA-N 441.523 1.816 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358959801 PZQQVJDFHVGSNS-HXUWFJFHSA-N 437.525 1.790 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358967880 UYWZFOUTELYGIH-IEBWSBKVSA-N 448.520 1.974 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1358971814 JRDNPRJKZLANLX-LSDHQDQOSA-N 430.468 1.553 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OC(C)(C)O3)CC1 1359028532 VSKOEZGTMRMNPZ-UHFFFAOYSA-N 438.532 1.727 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(CC)C(C)C)CC1 1359039962 CNKOCECCTRSJJJ-UHFFFAOYSA-N 443.596 1.210 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1359043264 NWCYGMIVJXBLCL-FQEVSTJZSA-N 434.500 1.198 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359104370 AOKXAKSUQJRKEP-MLHJIOFPSA-N 439.582 1.629 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](NC(C)=O)C1 1359304717 HERVEQGMRLZWBT-LJQANCHMSA-N 440.548 1.827 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)c1 1449270997 MEGJLPQPKXFKSX-UHFFFAOYSA-N 425.514 1.756 30 10 IDEE Cc1nn(-c2ccccc2)c(Cn2cc(I)c(O)nc2=O)c1C#N 1459089575 KNLLZTMTXZVACA-UHFFFAOYSA-N 433.209 1.968 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1468476129 UHAWVCMQCTVGJQ-DZZUKKPASA-N 435.424 1.075 30 10 IDEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1cscn1 1468737935 ILWNGKIHLVLCLP-UONOGXRCSA-N 447.542 1.055 30 10 IDEE C#CCSCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1469000920 AJADTFUGMWIWSA-IRXDYDNUSA-N 436.578 1.747 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CCOC1 1470266411 GSDUPKVAIPQUOJ-HRAATJIYSA-N 438.525 1.050 30 10 IDEE N#C[C@@]12CN(C[C@@H](O)COc3ccc(Cl)cc3Br)C[C@H]1CS(=O)(=O)C2 1473823272 FEOLRRWLQSLHQH-GHJWDPDVSA-N 449.754 1.712 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)OCC 1475579787 QYAWTHAOFZGQSG-ZDUSSCGKSA-N 436.939 1.480 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)CC1 1475620741 QNSJCQSPQVCYHQ-UHFFFAOYSA-N 427.592 1.375 30 10 IDEE Cc1ccnc(OC2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 1492607369 NQGUKRLPVODFEW-QZQOTICOSA-N 437.504 1.864 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1502372170 DJPVWWZETLOSPQ-MJGOQNOKSA-N 449.559 1.941 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1nccnc1C 1504995238 QJNJWXFDCPICMU-IEBWSBKVSA-N 440.552 1.520 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCS(C)(=O)=O 1507522514 WJMXCPUZVVQOMC-CQSZACIVSA-N 436.534 1.864 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(=O)(=O)CC 1507603416 QJRCOAMRPGFVTC-UHFFFAOYSA-N 427.534 1.734 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1507621723 WZIZRYOWOFXPJJ-UHFFFAOYSA-N 430.559 1.593 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1507641949 FUQAXRUWJAYQRF-CQSZACIVSA-N 444.542 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1507657197 ONCZJOBEIBYPOS-OAQYLSRUSA-N 447.539 1.998 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1507668813 DAABEOVXDGBGTO-LJQANCHMSA-N 441.557 1.874 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1507669065 GYJCVBLSGCUOMD-GOSISDBHSA-N 449.540 1.272 30 10 IDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507691482 IIOWNIGSCTYMIP-OAHLLOKOSA-N 437.516 1.888 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1507751829 RSCIWETYGCVMEM-HNNXBMFYSA-N 427.596 1.356 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(N)=O)C1 1507775035 GTSIJAAUKJXLRE-GFCCVEGCSA-N 427.347 1.807 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507791964 CLZVHXARNXMBOB-CZUORRHYSA-N 449.371 1.462 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1507800068 UAVXATPNWZUOAB-ZVDOUQERSA-N 446.596 1.411 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1507984569 YEXYQCZOIJNCAM-MRXNPFEDSA-N 434.566 1.606 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1508133366 HSYDNMFPVUEWSS-UHFFFAOYSA-N 428.562 1.948 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508134060 AYVMHJVQJHNMBK-AWEZNQCLSA-N 437.953 1.866 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)CC1 1516006840 HCCHSAUVLKUKMR-UHFFFAOYSA-N 434.508 1.328 30 10 IDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1516833416 KAXLYSAUDFNTOT-UHFFFAOYSA-N 435.529 1.253 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCOCCS(C)(=O)=O 1517125938 VJGKHEPCGQPHDR-IBGZPJMESA-N 447.561 1.741 30 10 IDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1526236485 XZNSHLWJYHWNPH-IAGOWNOFSA-N 432.502 1.189 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c1 1535252660 FHQNBACRGNIQOI-MSOLQXFVSA-N 426.391 1.206 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2-c2cc(NC)ncn2)ccc1F 1538646414 AOOMMADFAYUURI-UHFFFAOYSA-N 445.480 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCCn1cc(Br)cn1 1539230606 IWYRHENWYSBKON-UHFFFAOYSA-N 446.353 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC(C)C)N(C)C)CC1 1539477480 OCAWYTAIAZVVIB-OALUTQOASA-N 443.596 1.171 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539490481 WFPWWLSWMLPPBP-HXUWFJFHSA-N 446.596 1.137 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539533680 SJQAPYFMIBCQLL-KZNAEPCWSA-N 435.594 1.864 30 10 IDEE CCN(CC)C(=O)CN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1540488658 ZIPGQSWOLLHFEJ-UHFFFAOYSA-N 434.581 1.650 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](OC)C(C)(C)C1 1540866915 FMGBSFJCOKAAJJ-GOSISDBHSA-N 427.505 1.880 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540873780 JPPWKDJUFNWYFC-QGZVFWFLSA-N 442.545 1.207 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1 1540880723 ORFOZVOATSYLLH-GOSISDBHSA-N 426.521 1.857 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1540903345 DCWOKTRHIUSSAO-QAPCUYQASA-N 445.501 1.120 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1556457496 HLWXUGCUBYCXKW-IRXDYDNUSA-N 445.582 1.192 30 10 IDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1562117262 AEWCTSRQBSVKNL-NVXWUHKLSA-N 439.534 1.709 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1nc2ncccn2n1 1585254662 APXPKCYSJHMWKO-UHFFFAOYSA-N 431.250 1.852 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(F)(F)c2ccccc2C#N)c1 1585280359 WXQILIJQGREWQC-LBPRGKRZSA-N 436.440 1.702 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1587878653 DGPNULQGDMTFJN-OAHLLOKOSA-N 435.575 1.696 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(OC)cc1 1588139146 MLAOJXRIZRCLDF-ZWKOTPCHSA-N 442.541 1.729 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588205655 QKBFJWNKYNIEPK-HXUWFJFHSA-N 430.512 1.775 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1593735909 UEXVRXIZAGUXPC-UHFFFAOYSA-N 449.581 1.578 30 10 IDEE C=CCCOCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1594829620 NJRKWNACKMNMSD-SELNLUPBSA-N 447.580 1.874 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)CCc1c(C)nc3c(C#N)cnn3c1C)CCO2 1616916125 YWZKXSUHFPBUSL-FGZHOGPDSA-N 427.505 1.969 30 10 IDEE CCN1CCN(CC(C)(C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1618613900 ICBYMKLRWLZIFO-IBGZPJMESA-N 432.638 1.463 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1619452884 GPPBEPZFGOGAFJ-ZWKOTPCHSA-N 442.520 1.315 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1625996009 BPZKNMXJOZOAPL-FQEVSTJZSA-N 439.491 1.262 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2=CN(C)S(=O)(=O)N=C2C)nc1C 1627230420 UOYOQZBQZHGZNU-UHFFFAOYSA-N 439.548 1.658 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1627819097 YCRHQIAUIKTHOE-ZDUSSCGKSA-N 431.436 1.129 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1630737684 WIVGGJYPNFQEBY-IBGZPJMESA-N 425.533 1.142 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 1631963639 BLSKGVFFZREAIH-QFIPXVFZSA-N 439.541 1.961 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cn1 1632482891 LOOSCAIIOUZNSL-PKOBYXMFSA-N 434.431 1.421 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)cc1 1637264152 KUNGFEANGJTTLL-UHFFFAOYSA-N 427.482 1.923 30 10 IDEE COC(=O)c1cnc([C@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 1638487805 SGNSJULNKBOMNN-NSHDSACASA-N 436.515 1.626 30 10 IDEE Cc1nc(SCC(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c(C#N)c(C)c1C 1644226020 IOMWWENSIXOYOT-UHFFFAOYSA-N 432.546 1.983 30 10 IDEE CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCC[C@@H]1C#N 1654477658 IJGTZXOHMTUVIC-PBHICJAKSA-N 440.953 1.923 30 10 IDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2cccc(C#N)c2)CC1 1664223241 CCCOXLPBQGNLCI-OAQYLSRUSA-N 426.542 1.363 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)c1 1671806985 GDUDYNVYPMUZDD-OAQYLSRUSA-N 436.530 1.461 30 10 IDEE C=CCN(C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H](C)COC 1675971871 MWIUNFHKWZFPNI-HOTGVXAUSA-N 433.571 1.643 30 10 IDEE N#CCCC[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 1681498071 SACRHRQKCGHIQT-SFHVURJKSA-N 425.489 1.424 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H]1CCS(=O)(=O)C1 1684108206 YORKDJWBNGEEAR-CABCVRRESA-N 449.520 1.711 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCN1CCCS1(=O)=O 1690050090 RWSIOKMJQYKTOD-UHFFFAOYSA-N 425.558 1.676 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](F)COC)CC1 1690142188 JTKYRRGHYNLBNP-KRWDZBQOSA-N 429.496 1.904 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2(=O)=O)C1 1690684424 FSZMLLRYFWACKS-CVEARBPZSA-N 425.555 1.165 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1691004308 QORJZLHTXATKLI-GOEBONIOSA-N 438.579 1.511 30 10 IDEE C[C@](O)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1692804667 DWTKTJWXKZUZQZ-UZLBHIALSA-N 431.518 1.238 30 10 IDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O)N1CCCC1 1694374276 AHOAXINWYZPJGX-LJQANCHMSA-N 445.593 1.677 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1 1697026497 ZEEPXDHCOFMDCE-UHFFFAOYSA-N 430.534 1.824 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1698315066 BWTXIPWEBKOANJ-SFHVURJKSA-N 446.577 1.745 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Cl)cn1 1705593146 HNICLATWQOAVEC-UHFFFAOYSA-N 446.906 1.934 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1705628369 DYCKGAUXSLENOE-DYESRHJHSA-N 438.594 1.598 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1705641345 BJCPERAWYVVQSZ-VQTJNVASSA-N 427.597 1.276 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(OC)ccc2OC)CC1 1705642449 UXIDEZNNJCQDTH-UHFFFAOYSA-N 438.532 1.221 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705726988 VFXBXEHDEKWKQP-UHFFFAOYSA-N 431.566 1.383 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncccc2N(C)C)C1 1705929896 ZXWVGCRSTNFGJZ-QGZVFWFLSA-N 425.537 1.691 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(c2ccnn2C)CC1 1705935804 DFPYRFNXCRRTGV-GOSISDBHSA-N 448.593 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939572 ZWBGKQFAZOSVPT-FXAWDEMLSA-N 442.582 1.535 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1706073034 JVXVXTXTJDJHDN-JLTOFOAXSA-N 444.565 1.312 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1706648516 OTEIEVYPNMWRPQ-IAGOWNOFSA-N 440.460 1.367 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOC(C)(C)C 1712648800 OGIPEZYJHFAEIY-WDSOQIARSA-N 432.569 1.994 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1712702620 YKTPAAUIFNFMOS-IBGZPJMESA-N 432.481 1.320 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722319098 IJMVSRAPRMRDKL-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(N)=O)c1 1722354580 VAVSIBGRPOVHCZ-UHFFFAOYSA-N 429.484 1.498 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1722363587 ANOZZFILPLPFAB-SFHVURJKSA-N 426.502 1.235 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722369221 ZSWASHKKVILXGP-CHWSQXEVSA-N 438.497 1.662 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1722391495 OFDLREHTSLQEIE-QGZVFWFLSA-N 434.504 1.852 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1722395981 FCVYVXVNJKAKAO-FQEVSTJZSA-N 431.606 1.909 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)on2)n1 1722429692 PZBRJZZCLSMPKZ-GOSISDBHSA-N 438.492 1.057 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(CCC)C(=O)C1 1722506673 VBRXKHGCDNSYLL-XMSQKQJNSA-N 444.580 1.830 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1722527772 ACNFZRUPXHWJTQ-VQIMIIECSA-N 427.571 1.488 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1722715846 QJUXDMKIQVLEPB-HXUWFJFHSA-N 436.516 1.847 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOCC1 1729071621 ZVYIPGCJHONRAL-UHFFFAOYSA-N 440.552 1.130 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729454975 VMRBAUBWPQQJCZ-OHTQGHCMSA-N 436.463 1.790 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740567253 PCCGHNAIKQAUCG-INIZCTEOSA-N 438.598 1.387 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccccc2F)C1 1740610849 MXUPVYKRQFACMO-GPMSIDNRSA-N 447.536 1.938 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740670213 NJNVOUQKNKENFR-KRWDZBQOSA-N 428.537 1.886 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCN1CC 1740684691 YSFFMQSPIJGMSL-QGZVFWFLSA-N 428.537 1.966 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccccc2Cl)CC1 1740694339 HCMDTEVYQRWTIQ-KRWDZBQOSA-N 428.924 1.717 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740727143 BBBHXLPBPFFQRK-RTWAWAEBSA-N 430.530 1.495 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccs1 1740951512 HOIOVYODZWLBAD-ZIAGYGMSSA-N 438.579 1.594 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740970452 LPXHWMNPHJBPDX-JKSUJKDBSA-N 446.533 1.141 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCN(C)C1 1748647575 QFBXHQLUFXNEAA-QVKFZJNVSA-N 445.593 1.071 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1748818014 UOIIIRUUUUQDFR-IRXDYDNUSA-N 447.586 1.574 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748818941 HYRMCSFHBKRXQP-LJQANCHMSA-N 442.520 1.417 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCN2CCOCC2)nnc1[C@@]1(OCC)CCOC1 1749140311 NTOOGWCUWGTQPG-ZRCGQRJVSA-N 449.596 1.680 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1749159139 PPJPHVJIUQCPBX-OALUTQOASA-N 439.626 1.939 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1749626240 YLLKHBOVWZQOQT-GOSISDBHSA-N 437.548 1.793 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749659375 AOKFSCKCJKHPDN-MRXNPFEDSA-N 440.529 1.419 30 10 IDEE CC(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750046441 YQKNUQUUTKACOS-FQEVSTJZSA-N 437.548 1.602 30 10 IDEE CC(C)OCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1750075905 JPJKCZQBLAXGAY-HZPDHXFCSA-N 428.559 1.022 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1750213024 NHUVHERNPRZXQI-HOTGVXAUSA-N 448.549 1.451 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1751284848 KYTRIUGGSCTLQC-HZPDHXFCSA-N 425.449 1.497 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760129322 JJPSESDIZMZEKR-QGZVFWFLSA-N 440.529 1.356 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCN(C)C1 1760197740 IJKHXTJOKMUTKO-SFHVURJKSA-N 434.363 1.909 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1760219273 ZLXSWUWPNLAUKE-KRWDZBQOSA-N 428.514 1.406 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCCC[C@@H]2C)CC1 1760251449 AOLLEOOHEBVPME-FQEVSTJZSA-N 429.613 1.826 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1760357163 GAZMVUZFOYPXJA-HNNXBMFYSA-N 449.524 1.439 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CCCO)CC1 1760521104 JMTQUTHJFTVTDY-UHFFFAOYSA-N 430.509 1.297 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCOC 1760521489 UMUUKMOFMISNFP-UHFFFAOYSA-N 439.520 1.621 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1760558560 SFISBMUOEXCQTP-BZUAXINKSA-N 439.582 1.109 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1761282021 AOTODJAXHIOUMQ-FCHUYYIVSA-N 430.553 1.927 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](Cc2ccccc2)OC)CCOC1 1765921367 DJBBRUVIIYSBMK-ZRCGQRJVSA-N 441.532 1.917 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1767606978 CZECCJAYIWFORI-QFIPXVFZSA-N 433.520 1.540 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1770749418 XPSRVYHQCXPNGW-NXHAUGRDSA-N 437.435 1.339 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1771222765 MCAUWRCZKHLRSD-FXAWDEMLSA-N 428.537 1.841 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1771353202 ASAWDAYNHHKSSI-UHFFFAOYSA-N 445.545 1.637 30 10 IDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 1772509808 SKRITBXHEUDVSS-LJQANCHMSA-N 427.530 1.207 30 10 IDEE C=C[C@H]1CCCCN1C(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1848786479 VLSDYDQEKKESKY-SFHVURJKSA-N 435.546 1.347 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3cnnn3-c3ccccc3F)CC1)OCO2 1852931387 SAOOCUNJGVBLDE-UHFFFAOYSA-N 448.458 1.894 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCC(=O)N2CCOCC2)c2cccn2C)c(C)c1 1853576276 GDMQWPUJDVDLPL-UHFFFAOYSA-N 434.518 1.157 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1855613197 IMVPPAXUKUIJKC-IBGZPJMESA-N 432.546 1.694 30 10 IDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2csc(-n3cccc3)n2)C1)[C@@H]1CCN(C)C1=O 1857252394 DHSDXNQTIFBXTL-NVXWUHKLSA-N 427.530 1.641 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NCC(=O)O)nc1C 1858791643 IKWNVLMUYSGVMX-UHFFFAOYSA-N 449.445 1.413 30 10 IDEE Cc1nc(Nc2ccccc2C#N)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868490648 NSHWHVKEFCHNCS-UHFFFAOYSA-N 435.532 1.771 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)OCO3)cc1OC 1870098696 RKMCGCNXJAMJHX-UHFFFAOYSA-N 429.414 1.686 30 10 IDEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc(N(C)C)cc1)N1C(=O)c2ccccc2C1=O 1870142740 KKXPJXWFZINZSY-ZDUSSCGKSA-N 429.440 1.828 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3O[C@@H]3CCOC3)CC2)CC1 1889404211 QMCPSRXHBIQYCZ-OAQYLSRUSA-N 442.560 1.121 30 10 IDEE CC(C)(C#CC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 1993921331 OQHIWZHVQZINLU-ZDUSSCGKSA-N 427.498 1.777 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2010025532 BHSYZCRHDIHIMJ-SZNDQCEHSA-N 439.509 1.874 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065456647 KJRPSHXXGMDQHE-WMLDXEAASA-N 434.342 1.876 30 10 IDEE C#CC(C)(C)N1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164495892 GLYDVLWOQRXEJL-OAQYLSRUSA-N 435.521 1.370 30 10 IDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CC(N)=O)Cc2ccccc2)OC1(C)C 2243412722 RUUNWAQZWWTJEO-UHFFFAOYSA-N 436.364 1.724 30 10 IDEE CON(CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243667772 KLFVQWGGRUGXPW-UHFFFAOYSA-N 427.332 1.857 30 10 IDEE C=C(Br)CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2244224886 WZEHSUUDZXYGMD-CQSZACIVSA-N 449.323 1.625 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248445281 KJBREKTXBJCFRB-GFCCVEGCSA-N 441.359 1.334 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632321 LMIUMHYOAXSQJK-KBPBESRZSA-N 436.318 1.121 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255709436 WJSSSGYMOWXEST-NRFANRHFSA-N 435.330 1.416 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCOC1 2255751306 YNHJECICZZISST-KRWDZBQOSA-N 447.366 1.699 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2256068128 XIPJTBQRDDOKKJ-OKILXGFUSA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2256678068 KQMLIVLYBGUPJN-UHFFFAOYSA-N 433.314 1.861 30 10 IDEE Cc1nc(NC(=O)[C@H](CO)CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256679729 YXIRZLZKCZOSII-ZDUSSCGKSA-N 436.318 1.156 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)n1 2267184176 STENBUSXUWIMTC-LSDHHAIUSA-N 446.357 1.943 30 10 IDEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267879680 KBHAESWHEUKAGS-NWDGAFQWSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@H]21 2268708342 ZWEZIAXBVLSPBO-GVDBMIGSSA-N 445.325 1.954 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269047305 QMAGSNBTHBXXLO-YOEHRIQHSA-N 443.309 1.508 30 10 IDEE C#CCCN(CC(=O)O)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2299768981 VZWREQLAGBMNOS-KRWDZBQOSA-N 432.473 1.950 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2337195005 SRQVRUKFRMTIJR-RTBURBONSA-N 436.365 1.923 30 10 IDEE COc1[nH]c(=NCC2(O)CC(NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339784709 DYFPIGGOWGWIHL-UHFFFAOYSA-N 449.357 1.641 30 10 IDEE Cn1c(=O)c2c(nc(N/N=C/c3ccc(O)c(O)c3)n2CCc2ccccc2)n(C)c1=O 17148732 PJJOOMZAMGCFTA-YDZHTSKRSA-N 434.456 1.534 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 45606624 QSNVTGFOAIFTFG-IBGZPJMESA-N 428.533 1.041 30 10 IDEE C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)nnc1C(F)(F)F 253561651 CIJLMVOZQDXKJW-UHFFFAOYSA-N 434.488 1.244 30 10 IDEE COc1ccc(CN2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254714550 VYZNWSCIJXVDMZ-LSDHHAIUSA-N 426.516 1.547 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 475556311 UFUXCZVQQPUFSV-UHFFFAOYSA-N 437.382 1.706 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@@H]1CCCO1 479390516 WPGGSGQXAXVHOF-ZDUSSCGKSA-N 437.974 1.833 30 10 IDEE Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1C(=O)N1CCOCC1 489163749 FGWZRXROUUGVFH-QGZVFWFLSA-N 449.515 1.872 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1C#N 489249457 HICUEOCYJBJVIZ-INIZCTEOSA-N 438.506 1.532 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 508809012 JQKNFBAXBSYOIY-MRXNPFEDSA-N 432.550 1.260 30 10 IDEE N#Cc1cccc(OCc2cccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)c1 522322868 UXVPACBPTWHZJF-UHFFFAOYSA-N 448.523 1.754 30 10 IDEE Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)n1 538147068 DMVORIKRXHWZNA-VQTJNVASSA-N 426.565 1.733 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CSCc3cc(=O)n4ccsc4n3)CC2)n1 544835287 HLXUFOOCRCCCEU-UHFFFAOYSA-N 426.527 1.605 30 10 IDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 545366694 YFIIDPBSOHZXPA-UHFFFAOYSA-N 426.494 1.929 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)CCNS(=O)(=O)c3ccccc3)cc2C1=O 549205065 RNYLYLCCXWYQLF-HNNXBMFYSA-N 441.509 1.956 30 10 IDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN2CCOC[C@@H]2C1 549669672 KAUJPPDGMYAEBU-KRWDZBQOSA-N 445.593 1.644 30 10 IDEE CCNC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 556517459 CEYBSZQCBOOXQE-LEWJYISDSA-N 429.540 1.915 30 10 IDEE CN1C(=O)C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 576913068 FUNCPAPYLLGYCV-XLIONFOSSA-N 446.916 1.578 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 584738720 WIJDAMQTVBVIKT-KRWDZBQOSA-N 449.554 1.344 30 10 IDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669817517 OTZYXTMLSWECGX-ZDUSSCGKSA-N 443.371 1.750 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(CCC)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 729333125 NBGVOFBCLMLXCI-GOSISDBHSA-N 440.587 1.760 30 10 IDEE Cc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1S(=O)(=O)N1CCCCC1 731861040 HFCBETNKTBZGLX-VZCXRCSSSA-N 446.529 1.426 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)/C=C\c1cccc(Br)c1 735081095 KSYYGRWIRGYUHC-WXNHPGFZSA-N 426.292 1.866 30 10 IDEE N#CCOc1ccc(Cl)cc1COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 735340103 CDTKIPSQMHFZDL-WFASDCNBSA-N 426.878 1.321 30 10 IDEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1nnnn1C1CC1 742213301 HAIXCTQXQHPVFK-INIZCTEOSA-N 436.501 1.680 30 10 IDEE CCc1ccc(O[C@H](C)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742408473 HAQDSKKICWLPMV-MRXNPFEDSA-N 442.541 1.884 30 10 IDEE COc1cc(OC)c(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)cc1Br 751864014 ATQAJJDSURCYON-UHFFFAOYSA-N 428.264 1.795 30 10 IDEE C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn3ccccc23)c1=O 758068449 LLNYNEDNTJSOPD-UHFFFAOYSA-N 441.520 1.060 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC)c(Br)c1 759788236 SIJCXWLPQSDOEZ-GFCCVEGCSA-N 436.349 1.659 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ncc(Br)cc2Br)CC1 759803023 ZHXCFTUVXZEUBH-UHFFFAOYSA-N 444.127 1.114 30 10 IDEE C#CCN(C(=O)NCCC(=O)Nc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 774235208 LNUIYENUAJARKV-AWEZNQCLSA-N 427.910 1.509 30 10 IDEE COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2c(Br)cnn2C)NC(=S)N1 783805990 PLXDXOBIKWVKIJ-SNVBAGLBSA-N 425.264 1.604 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 794355950 BDXCDSORSSUAEB-HVESIFNPSA-N 447.289 1.365 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 809890247 YBYSRMDIXIGBJB-IIBYNOLFSA-N 435.525 1.768 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 918819449 RKIFXOZZSDEWSH-IAGOWNOFSA-N 449.529 1.219 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 919096565 CMZOJFNDJPGIGZ-RTBURBONSA-N 425.489 1.864 30 10 IDEE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc([N+](=O)[O-])cc2)CC1 1084450854 SKBKDKUYNQCEDU-UHFFFAOYSA-N 448.461 1.885 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)cn1 1084558625 WERAFKPPMMKRPD-UHFFFAOYSA-N 428.522 1.545 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c2cccnc2)c1 1171208978 NSUQGSAEMPDBPV-RBUKOAKNSA-N 430.482 1.274 30 10 IDEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1179754081 SXOQYONEHQYQNC-LJQANCHMSA-N 443.481 1.251 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CC[C@@](C)(C#N)C3)CC2)cc1 1252759563 GEZZSMFZDORDJL-FQEVSTJZSA-N 435.550 1.092 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3)C2)c(=O)nc1O 1253966741 UFZYZZCNZZCTLG-ZDUSSCGKSA-N 432.843 1.458 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)C1 1255364097 OIGRBZBOWACPQO-AWEZNQCLSA-N 444.479 1.217 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1286385621 OJRYUXSBHMCDNS-HNNXBMFYSA-N 448.593 1.555 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286407995 YFWXGXDCKUKUKU-YADHBBJMSA-N 446.555 1.684 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1286427583 CEUDZNDATQFYPY-GOSISDBHSA-N 426.542 1.775 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1286479656 NTOMMEBYGSXGNC-PGRDOPGGSA-N 442.951 1.546 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H](C)N(C)C)CCOC1 1288320328 OGGYPJDDTSDRLG-LRXVAGHRSA-N 431.585 1.445 30 10 IDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290889212 XRKCRJHZJLOESK-WCZGFUKNSA-N 433.472 1.563 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 1291815058 YSCBGSRTOCQKBJ-FQEVSTJZSA-N 444.532 1.778 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1296248952 HTNBSNCQLXLCMI-KRWDZBQOSA-N 430.484 1.887 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1298969398 JPSFPRLSIAUKCS-CMJOXMDJSA-N 435.532 1.646 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1300488540 FDIOACOYQJOVED-KRWDZBQOSA-N 449.964 1.704 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1300537421 GWQHETSEBQZIBM-LJQANCHMSA-N 434.525 1.487 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@H](C)C2)CC1 1300684921 CPAKEHBFWDMNRX-QTEQDKRBSA-N 431.581 1.889 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1300733519 KUMMTXWHXJABRF-GFCCVEGCSA-N 448.412 1.744 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCCC)CC1 1301491099 LNKYSKMVFHNXRJ-UHFFFAOYSA-N 427.553 1.719 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1303643948 DTCGZZYIRKEJIA-YOEHRIQHSA-N 430.534 1.484 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(CC(=O)NC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305439676 PCCCNPYGZRLKLD-DSGGYQJVSA-N 443.552 1.671 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1308163457 LTKCNAVAHUBPHV-KDOFPFPSSA-N 443.447 1.758 30 10 IDEE N#C[C@]12CN(C(=O)NC[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)C[C@H]1CS(=O)(=O)C2 1312491685 KKUUSSMZZPGTLS-RCVZYCBYSA-N 435.521 1.479 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1312896589 BWHKXSCAXQQISF-YJBOKZPZSA-N 436.534 1.285 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](OC)C2)C1 1314262979 FDCYZQQTVYZPLZ-PGFLUOATSA-N 427.505 1.884 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1325737925 NFAALAHWIZRVIL-QGZVFWFLSA-N 437.562 1.439 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1358948767 LADNGXWHZQECDC-NVXWUHKLSA-N 437.591 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1358995558 VZILWWJIXNLLMT-UHFFFAOYSA-N 427.455 1.469 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1359015856 HIXQGPVKMKUOBO-PKTZIBPZSA-N 444.507 1.861 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(CC)s2)CC1 1359035980 JXHJQYYKMWZQIR-MRXNPFEDSA-N 433.603 1.608 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359295200 UBBFBNRMZCLOMU-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2ccccn2)CC1 1359303461 PJZWEGRPQOREJI-UHFFFAOYSA-N 447.543 1.923 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1scnc1C 1359304508 ZLWYJGUUNQVVGL-UHFFFAOYSA-N 445.574 1.973 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1359304789 JNEANCGLAWKHTG-UHFFFAOYSA-N 432.456 1.187 30 10 IDEE CC(C)CCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359911489 SXVSKQSVOQCSMP-ZPHPHTNESA-N 429.525 1.523 30 10 IDEE Cc1ccc(C#N)cc1C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 1360272409 UPYCUULPGHBQCL-UHFFFAOYSA-N 427.482 1.803 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1360475742 DDMGQWSTMOYNEG-WMZOPIPTSA-N 425.537 1.956 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1361015554 CSDUNSFWRPMQHV-KRWDZBQOSA-N 438.488 1.717 30 10 IDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1440684514 NTLQJPXATYNWGL-NRFANRHFSA-N 434.496 1.779 30 10 IDEE CCN1CCN(C2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 1456313728 GRAVGKWKKGJZGN-UHFFFAOYSA-N 447.605 1.134 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC4CC4)cc3)CC2)cc1 1462787411 HBFPOFDPEGTRGU-UHFFFAOYSA-N 447.538 1.795 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2CCN(S(=O)(=O)CC)CC2)c1 1466755881 DCKJBVHTZGCGJS-UHFFFAOYSA-N 426.560 1.275 30 10 IDEE C=CCN1CC[C@@H](N2CCNC(=O)[C@@H]2c2ccc(I)cc2)C1=O 1473853743 JOJVZAMRUFMDBR-CABCVRRESA-N 425.270 1.551 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1476217866 FBDWODOOAGTBNH-CQSZACIVSA-N 430.461 1.679 30 10 IDEE Cc1nnc(N2CCCN(c3ncccc3F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492876323 NZYLNNMHAHKIDJ-ZZEZOPTASA-N 440.483 1.364 30 10 IDEE CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1500306457 QIGAYSJBEWUOOD-UHFFFAOYSA-N 439.568 1.945 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504694102 PORLZFWIGGDMLU-ZJYNUGOYSA-N 426.477 1.846 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC2CCOCC2)c1 1507512025 CFALHBNFFNFYKK-INIZCTEOSA-N 426.521 1.875 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1507564039 LVXVCMFFPIQJNP-INIZCTEOSA-N 438.579 1.507 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1507602272 ZNEJNZZFCALXQV-INIZCTEOSA-N 448.618 1.559 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1507616522 KNHUTSLSIHVKBO-IERDGZPVSA-N 435.525 1.461 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O 1507621095 PHEZRIAKRDZTBO-DEOSSOPVSA-N 435.576 1.191 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507632995 RCJZKJXDQLVTFD-QZTJIDSGSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1507633462 DYQNSKSYGFAEOC-KRWDZBQOSA-N 436.497 1.404 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccccc2)CC1 1507731109 AQKMANAKPJXFHO-VQTJNVASSA-N 443.573 1.323 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1507953179 DJRLKRFFOVMEJO-JQHSSLGASA-N 439.582 1.581 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccs2)C1 1508131061 KKZGZYJTTWHBHD-MRXNPFEDSA-N 444.561 1.673 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1508354230 FPZUFLIXHHSNTC-IBGZPJMESA-N 448.531 1.863 30 10 IDEE CCOCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(C#N)o1 1516533885 SVXGFPAXKWQXLW-GOSISDBHSA-N 427.553 1.932 30 10 IDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1519381580 IKJPFEUOMSGKFW-MJGOQNOKSA-N 440.504 1.249 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1520031516 HJEXMRYZIDGRDY-MRXNPFEDSA-N 430.555 1.808 30 10 IDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)c1C 1532434639 MYDVSLKZXILNBE-UHFFFAOYSA-N 425.474 1.444 30 10 IDEE Cn1ccnc1C(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nccn1C 1532609432 IVASYYKBDQEZNQ-MRXNPFEDSA-N 446.471 1.136 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](COC)OC)c1 1539039669 DZLOZFNRESWLRH-LJQANCHMSA-N 437.504 1.396 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1539325862 OWYONHKRFXOFFZ-INIZCTEOSA-N 447.948 1.771 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(N2CCOCC2)c1 1539415724 GHDXAWIDZAXPTO-FQEVSTJZSA-N 425.533 1.753 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539488644 CINMSQDLNFAUBZ-IAGOWNOFSA-N 428.537 1.010 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1539669629 SEDAEUZQQCMCTF-CQSZACIVSA-N 426.568 1.518 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCN(CC)CC1 1540069301 MIVOHUKPDNPBOR-KRWDZBQOSA-N 429.569 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1540868305 ZTJBYAFGRPXTAG-NYHFZMIOSA-N 441.536 1.689 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540902660 NUTHSHZEBHIDBF-KGLIPLIRSA-N 438.472 1.540 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 1544155573 JNJYODVFZSZIAN-UHFFFAOYSA-N 432.433 1.994 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)s1 1545858399 PTAWBDNRXCLVNJ-AWEZNQCLSA-N 446.554 1.670 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1547495112 DIQMOOXFTKQYHS-SFHVURJKSA-N 439.564 1.842 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1555993354 MUYZGSZJHAVCSE-DOMZBBRYSA-N 429.868 1.315 30 10 IDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1Cl 1561155503 GQSSEMYYYQZLKZ-UHFFFAOYSA-N 440.934 1.521 30 10 IDEE COc1cc(CCCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc(OC)c1O 1565143476 LSFMIXQOGONSHJ-OAHLLOKOSA-N 440.504 1.924 30 10 IDEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1I 1585660834 XGNTVUPAAZFZNN-SWLSCSKDSA-N 430.267 1.610 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1588241466 QOLJCRJGIYEWRL-QURGRASLSA-N 429.484 1.253 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)NCC)CCC2)CC1 1588768819 LISVOPAVEGUJHL-UHFFFAOYSA-N 431.544 1.878 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCC(=O)NC 1589570570 VOVFTPHEKRDGFU-KXBFYZLASA-N 446.577 1.823 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1595602265 IKIBISGCTYGBDN-IBGZPJMESA-N 447.628 1.109 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCNS(C)(=O)=O)C1 1595700173 LIFAGCPFXBZONF-QGZVFWFLSA-N 442.545 1.824 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595838107 LBGZLFVUQTYQBB-QGZVFWFLSA-N 433.582 1.746 30 10 IDEE Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cs1 1612418236 CQGNOSWRCAYNRN-BDJLRTHQSA-N 427.531 1.338 30 10 IDEE Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612589809 NHFCZZZWVOKVAB-QZQOTICOSA-N 449.515 1.465 30 10 IDEE COc1cccc(OCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1619377848 NTWNZMKRTPALAC-LJQANCHMSA-N 440.504 1.607 30 10 IDEE COCCN(C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1619878194 DGRGNQODBYLLTE-OAQYLSRUSA-N 432.500 1.982 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 1626883174 YMRGBUBIVFGMEV-ROUUACIJSA-N 439.555 1.292 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1632532808 HXEYCENETTWRJI-WMZOPIPTSA-N 431.514 1.972 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1634109176 XKSLCVUMVDSOHK-IPYPFGDCSA-N 432.481 1.563 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2ccccc2Br)CC1 1636479628 CORPLESUCKNHSY-UHFFFAOYSA-N 428.352 1.384 30 10 IDEE COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1636512587 LOKAQHRKHKIZIR-HZUJVAHNSA-N 449.529 1.658 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1639701051 LBKRIXNLTJMYSN-FUHWJXTLSA-N 448.545 1.543 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1F 1640652250 BBIODYZFXZHETF-STQMWFEESA-N 449.460 1.943 30 10 IDEE COC(=O)[C@@]1(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)CCOC1 1659497671 BVBYJTKQOYEYAA-JOCHJYFZSA-N 446.573 1.777 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1689885477 JSQLXNJGHSMKBF-KRWDZBQOSA-N 430.520 1.859 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1689913769 VCYIHGSOCAGACN-GOEBONIOSA-N 447.565 1.946 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1689989646 HPNMURAAYCBSAU-ZSYWTGECSA-N 434.562 1.390 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1690011993 LOQUFUNGLRERAA-SFHVURJKSA-N 430.520 1.252 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCCC2)CC1 1690113529 MHOHDOARLBDXED-QPPBQGQZSA-N 444.624 1.806 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690172254 AOJFDXLLFUOCLF-MRXNPFEDSA-N 427.596 1.358 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690308121 BQVRSMYBJGKINI-QGZVFWFLSA-N 434.566 1.870 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1690484707 BMVQIARXDOHPNH-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1690508828 QKFCLXSRTOQWHB-WMZOPIPTSA-N 436.534 1.944 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2OC)CC1 1690673619 YSCZBYPFEMPIQF-UHFFFAOYSA-N 447.543 1.901 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690674712 CDTMRQRYLLDNEB-MJGOQNOKSA-N 438.532 1.491 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1690947899 IRMNVUUCISMSPK-QHCPKHFHSA-N 435.532 1.648 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1698306925 PDSOPUQKUUCIOC-GOSISDBHSA-N 429.546 1.993 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705570611 RXJLIJORHOWLIB-SFHVURJKSA-N 436.578 1.179 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)C2CC2)CC1 1705636228 CAWGDJFMAHLWSJ-QHCPKHFHSA-N 425.533 1.879 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1705641284 YVEWSQFOYFMXPV-NHCUHLMSSA-N 437.592 1.518 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCNC(=O)c2cccc(OC)c2)CC1 1705642826 IQWJNVRFCHTLLN-UHFFFAOYSA-N 426.521 1.008 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705658410 PCAWBIIGTYDMNW-QGZVFWFLSA-N 435.561 1.997 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1705874029 CGVJXSISVBLALO-QGZVFWFLSA-N 441.623 1.729 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1705906775 OLDQFTBXMZOBKW-SJLPKXTDSA-N 428.512 1.971 30 10 IDEE CC(C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1706554595 URRXDNNGHXLDCQ-SFHVURJKSA-N 437.552 1.163 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(NC(N)=O)cc2)CCOC1 1710456958 IAIJRPUCBNAYSE-RTWAWAEBSA-N 443.483 1.911 30 10 IDEE COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1712467519 GBNZNWUSZGSCSG-HRAATJIYSA-N 431.541 1.041 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722321579 HWZFSVPOQPXVOK-UHFFFAOYSA-N 443.596 1.354 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1722355014 CVGRRTVNQDUTSI-JOCHJYFZSA-N 446.573 1.908 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722361145 LTXRRFHKWRMWTP-CGTJXYLNSA-N 432.550 1.120 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722367113 KOVIOPLMMDHBPH-HZPDHXFCSA-N 439.607 1.245 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1722369411 YXBOLXSKVRSEQS-SFHVURJKSA-N 429.546 1.228 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1722398774 CQIXZSUIGNTESB-UHFFFAOYSA-N 436.541 1.557 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1722428830 KVLUDOSABQATNK-OALUTQOASA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(COC)CCC2)CC1 1722442119 YGBGSJIASKGNAG-UHFFFAOYSA-N 444.580 1.589 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722480816 TWXZHPLHYJMRLV-OLZOCXBDSA-N 437.360 1.534 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722493895 LETVRDDBLWUCFO-ICPLQIHGSA-N 444.580 1.894 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1722584191 SBVUGZYZKALZDW-UONOGXRCSA-N 426.543 1.131 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722615616 VDFQGDNWMANYLG-MRXNPFEDSA-N 426.481 1.825 30 10 IDEE C=CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1722644880 RYYNBGDDZHNHAN-LJQANCHMSA-N 438.575 1.751 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723091322 ZGMQTNJTSDTKQT-UHFFFAOYSA-N 434.504 1.591 30 10 IDEE CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1729306942 MGUWDQGQLVOAKY-UHFFFAOYSA-N 445.531 1.335 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1731009454 VMSBFNQABQDOIV-INIZCTEOSA-N 439.925 1.388 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1731179486 CLYKTRWZKSXMIB-HNAYVOBHSA-N 436.442 1.533 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740620644 GCBCHGQPTQUMLW-ROUUACIJSA-N 428.562 1.451 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N1CCOCC1 1740631572 VFHZSLRXCMAKKG-UHFFFAOYSA-N 443.511 1.657 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2conc2COC)CC1 1740688104 AJHLESSQJMNBDK-UHFFFAOYSA-N 429.525 1.134 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)nc2)CC1 1740695894 GZEFWBBEJZYING-UHFFFAOYSA-N 437.592 1.902 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740704911 VZOXPVXOFVREKH-ZHRRBRCNSA-N 425.537 1.196 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)CCC(C)C)CC1 1740705211 CQIBEICGRUUVPK-JPYJTQIMSA-N 444.580 1.382 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1740792233 WAZBUMRWYLCZPT-UHFFFAOYSA-N 428.537 1.973 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1)C1CC1 1740910926 ULBRHYSTZLFIQI-VYDXJSESSA-N 427.546 1.904 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1740921532 XZSISTQJIBRMIC-CRAIPNDOSA-N 447.536 1.996 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740933194 JTYKLLJTPZINJR-NRFANRHFSA-N 442.545 1.245 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740953665 NEYYKSHGPFKPTF-AWEZNQCLSA-N 448.474 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740992170 MPFTYJGWXCGNRO-JXFKEZNVSA-N 426.583 1.852 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CCC(C)(C)O 1743231408 CKNGQCWICVDLQW-QGZVFWFLSA-N 447.547 1.802 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCOCCCO 1743232776 GHNNZBDKGIYOOZ-MRXNPFEDSA-N 426.525 1.006 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1746737334 ZCOFMOFYVQNJRJ-VGSWGCGISA-N 444.511 1.912 30 10 IDEE CCSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1747515612 VMQWNJJSRAICTB-GJZGRUSLSA-N 430.600 1.350 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748811572 IPEAJFDPHXAARA-AWEZNQCLSA-N 444.483 1.894 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cnn(C)c1 1748825020 NRDOQTJARVVEIQ-LJQANCHMSA-N 436.564 1.672 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749019656 CKELGBKRTXLRQR-LAUBAEHRSA-N 433.578 1.655 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749227044 YSQFQOQROCCKKX-VQTJNVASSA-N 445.612 1.427 30 10 IDEE COCC(C)(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1749264687 IAEVYROANMSVJE-KBXCAEBGSA-N 430.550 1.783 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749311188 HVCWSLNFAJMZBI-OAQYLSRUSA-N 448.545 1.572 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749431131 ZMBLLHZMKHUJEU-KRWDZBQOSA-N 439.520 1.737 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1749649982 FTKLDVFWPZURBN-KRWDZBQOSA-N 426.496 1.949 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749676643 XZDXTFOKPIBTDY-INIZCTEOSA-N 431.566 1.241 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(C)C)C1 1749723584 AJROVJUHQASXJH-JKSUJKDBSA-N 447.627 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749732280 UWLHUSPOWUESNP-UHFFFAOYSA-N 447.565 1.272 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCCC[C@@H]2C1 1749738753 WNZADTOLVBXYAL-LJQANCHMSA-N 447.609 1.415 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1750350427 RIKREWKMWYLHDT-AWEZNQCLSA-N 427.490 1.323 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)C1 1750378696 RHRRUCUSWXOAFJ-OAQYLSRUSA-N 434.516 1.789 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCN2CC=CCC2)cc1 1750383581 XNYUCFFUHVZJMK-UHFFFAOYSA-N 435.532 1.549 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1750560960 FWVYHPLRWYRRNE-GOSISDBHSA-N 436.520 1.193 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1751095262 BSKOYYUPOYTHPJ-KRWDZBQOSA-N 439.545 1.981 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760153134 IMSFGXBFFDILIH-FQEVSTJZSA-N 434.544 1.842 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760200403 GVQDKRWHDHCZAU-UHFFFAOYSA-N 431.447 1.968 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760220426 ITKATWXZMBKGAC-LJQANCHMSA-N 443.548 1.752 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1760250201 XJAHJPPSUPSARZ-FQEVSTJZSA-N 440.548 1.538 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1760268942 RZDRPYJVLWAOMH-AOIWGVFYSA-N 442.564 1.400 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1(OCCOC)CCOCC1 1760294277 SMABYTFSHCQLNI-LAUBAEHRSA-N 431.537 1.434 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1760294885 IYMFCSQKGLADON-PGRDOPGGSA-N 441.557 1.580 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760520381 LRNHEVOJVOVDDM-INIZCTEOSA-N 443.552 1.937 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H]1C 1760531934 FOQBEQMHDGPSRF-HZPDHXFCSA-N 435.550 1.727 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)[C@@H](C)C1=O 1761120557 BDANRQRINKVSQX-KRWDZBQOSA-N 448.535 1.587 30 10 IDEE CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1768249474 HIGNQLRSIVGOEH-MRXNPFEDSA-N 446.581 1.483 30 10 IDEE Cn1cccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCCO 1769043690 OJYMVCVCRWAJQU-UHFFFAOYSA-N 436.520 1.276 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CN1CCCCC1 1770218707 ZJEPVQYRMUKRNT-HAGHYFMRSA-N 432.569 1.853 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2sccc2C1 1771222101 FPXLLIBDABBWLH-AEFFLSMTSA-N 446.577 1.851 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1772793175 VMLQSFMPGNHLMS-CQSZACIVSA-N 430.438 1.512 30 10 IDEE COC(=O)N1CCC[C@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852147333 LEFSUIGFZKGMHP-AZUAARDMSA-N 431.489 1.659 30 10 IDEE C=CCNC(=O)[C@@](C)(CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861747906 LBDLMMWAUNSYAT-LJQANCHMSA-N 443.953 1.562 30 10 IDEE C[C@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)C 1870324224 AOPDXGLRBPQLPO-ZDUSSCGKSA-N 430.530 1.730 30 10 IDEE CN1C(=O)[C@@H]2CN(C(=O)C3CCN(c4oc(-c5cccs5)nc4C#N)CC3)C[C@H]2C1=O 1890173030 ZCLBHPFRMUVHCB-ZIAGYGMSSA-N 439.497 1.564 30 10 IDEE COc1cc(N2C[C@H](CNS(=O)(=O)c3cccc(C#N)c3)OC2=O)cc(OC)c1OC 1891576839 GJBMTKLWNIKYIZ-HNNXBMFYSA-N 447.469 1.888 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)C(F)(F)F)C2)C1 2054335222 RDBOLTDXWBLRPC-GFCCVEGCSA-N 435.262 1.481 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085657524 VILXCFAHXXIKCA-CYBMUJFWSA-N 434.302 1.088 30 10 IDEE Cc1cnc(NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232283797 YZLHUZOWHHMYLI-UHFFFAOYSA-N 446.357 1.824 30 10 IDEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2241773210 BBIAJGXZXHWEOY-HXUWFJFHSA-N 444.509 1.920 30 10 IDEE CC1(C)OB(c2cccc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)c2)OC1(C)C 2247951970 KYECIANFMGZZHS-UHFFFAOYSA-N 430.335 1.662 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]12 2248413315 VJQWYHGTMLFFGA-QQKBFRNYSA-N 436.343 1.501 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)n1 2255607228 XESZFANYXQHKEI-UHFFFAOYSA-N 435.334 1.290 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2255651542 XYOFWVWSXOQRLQ-GJZGRUSLSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255694881 VKWYCPJOLLHXNZ-UHFFFAOYSA-N 432.326 1.697 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2255820027 KKJFGUWDTUNPEY-CABCVRRESA-N 434.346 1.895 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)nc2)OC1(C)C 2267169553 ZEFGVCVIUUTKBO-OALUTQOASA-N 434.349 1.980 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267272248 YGFDOGWVPLYRCT-QGZVFWFLSA-N 449.357 1.681 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267278812 GADIRPZYHMWOBA-OFQRWUPVSA-N 444.341 1.761 30 10 IDEE CS[C@H]1CNC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282319056 OBPMVLVTTLQCBX-QWRGUYRKSA-N 438.833 1.682 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCCC(F)(F)CO)cc2Cl)OC1(C)C 2282834283 RMAHINITQQOOFI-UHFFFAOYSA-N 431.719 1.997 30 10 IDEE Cn1ncc(C(=O)N[C@@H](CCO)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2320419313 MQIFZHZNKXFPCG-KRWDZBQOSA-N 429.326 1.417 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@@H](CCO)COCc3ccccc3)nc2)OC1(C)C 2320419669 PXZNQUYRMRIQTM-SFHVURJKSA-N 427.310 1.473 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2329013207 XJVYWNSITQSCNH-CYBMUJFWSA-N 431.478 1.370 30 10 IDEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)cc1OCC 2330772992 BBJKNNOJASVVFH-UHFFFAOYSA-N 435.506 1.859 30 10 IDEE COc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 10219364 PUSDJJHCCBYFFC-UHFFFAOYSA-N 433.511 1.945 30 10 IDEE C=CCn1c(CNc2ccccc2)nnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C 20428019 BCNYWQIPTNLQJZ-UHFFFAOYSA-N 438.517 1.512 30 10 IDEE COc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(CCO)c2C)n1 59887573 XHGWENFSZQVRFJ-KEBDBYFISA-N 444.521 1.796 30 10 IDEE CCOC(=O)/C(=C/c1ccc(C(=O)O)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 96792865 GRCYEGSSMRUYTE-LFIBNONCSA-N 443.433 1.745 30 10 IDEE COc1cc(Br)cc(/C=N/NC(=S)NCCN2CCOCC2)c1OC 169884252 IMQCHSJZGVBRED-YBFXNURJSA-N 431.356 1.597 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 410226745 YRTKEURUHUEBFK-MJGOQNOKSA-N 447.561 1.636 30 10 IDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCN1CCO 427433592 FNCGDSPPDUFTKM-OAHLLOKOSA-N 426.448 1.953 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](c2cccnc2)C2CC2)CC1 445821865 YWVDLGJASLNTBD-QFIPXVFZSA-N 439.541 1.527 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1C[C@@H]1CCOC1 461533968 IMKBOCVMYGAPEB-ROUUACIJSA-N 445.531 1.677 30 10 IDEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476801867 GTRYVFDNRFHFSZ-SFHVURJKSA-N 449.467 1.580 30 10 IDEE COc1cc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CC2)ncn1 480972164 QITMFTBTRVAGCR-CQSZACIVSA-N 430.490 1.525 30 10 IDEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 507420466 ATGJHFFQZNGKAG-QZTJIDSGSA-N 445.545 1.860 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 514474997 DOCUMLVUQGUNAU-UHFFFAOYSA-N 443.544 1.499 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 518595820 NCZWCCGVPMEOIY-CQSZACIVSA-N 433.480 1.395 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cc(OC)cc(C)n3)c2=O)cn1 538495571 NYXFNUDXTLGZER-UHFFFAOYSA-N 437.525 1.556 30 10 IDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2CC1 556342971 ZSDKBNOGOBITTM-UHFFFAOYSA-N 439.541 1.411 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 578303976 HHURRWDNGQYOHM-CVEARBPZSA-N 449.581 1.585 30 10 IDEE O=C(NCCCN1CCCS1(=O)=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 587981704 MUFZMLWHCLDUCF-UHFFFAOYSA-N 431.539 1.628 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1C[C@@H]1CCCO1 603826449 IBTMWXBVJWPKON-LBPRGKRZSA-N 438.336 1.645 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(-c3nc(CC)no3)cc2)CC1 604191102 RTNBFYHYRHQORN-UHFFFAOYSA-N 426.521 1.471 30 10 IDEE N#Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)cn1 609642105 SUGBPEHLOQQQEM-UHFFFAOYSA-N 427.468 1.887 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)cc1F 727418003 VGADJVKRVOJASZ-UHFFFAOYSA-N 425.441 1.421 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672327 IOQKJDIQQNUVBQ-UHFFFAOYSA-N 445.504 1.678 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 730141257 IUGLHEGTRYZGGQ-WBVHZDCISA-N 433.578 1.519 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC2CCC2)C1=O 730145074 WEXMGAPSCLIWDW-KRWDZBQOSA-N 431.562 1.585 30 10 IDEE N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CCN1C1CC1 732650014 XJYINDQUTWYNHM-KRWDZBQOSA-N 438.500 1.564 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)cn1 735068875 HEUALJASPSEHQU-UHFFFAOYSA-N 433.537 1.631 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn(CCC)c2)c1=O 735069262 QVHBKFVCXQRYTJ-APWZRJJASA-N 439.585 1.900 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c[nH]cc(Br)c2=O)ccc1F 762235167 OEZNLUYVHCRWAC-UHFFFAOYSA-N 430.255 1.993 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778823506 WGIMRGCMFFNEKJ-SFHVURJKSA-N 430.486 1.925 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 780895064 ORMWPTGLLXRCRE-UYAOXDASSA-N 429.498 1.365 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)c1 782563311 NKPYPXRVLYPNCQ-BXDHAIISSA-N 435.506 1.206 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783943856 YHZYCAWWSIJBSY-UHFFFAOYSA-N 440.550 1.676 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 784119419 UUESQWQBHXMLSA-LJQANCHMSA-N 430.574 1.953 30 10 IDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H](O)c1ccc2c(c1)OCO2 787739118 LROAAZPZWTYLFV-QUJCMNEKSA-N 431.470 1.192 30 10 IDEE CCn1ncnc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 794449546 YADZRHMWWWSAAW-AWEZNQCLSA-N 435.579 1.559 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H]2CCCO2)CCN1C1CC1 802683535 WMIMYOHGYIUOPD-SJORKVTESA-N 446.515 1.949 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1C#N 804346055 QAWAECHETCPOLG-UHFFFAOYSA-N 434.496 1.913 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC 812091953 DQLWYVHUXZDIKO-MRXNPFEDSA-N 435.506 1.927 30 10 IDEE C=CC[C@]1(C(=O)NS(=O)(=O)c2cnn3c2OCCC3)CCCN1C(=O)OC(C)(C)C 816204339 BHEZKSPRNPQHBG-LJQANCHMSA-N 440.522 1.816 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(C(=O)CC#N)CC3)nn2)CC1 1137371019 FQBCSYZAWOZKKT-INIZCTEOSA-N 445.524 1.438 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 1138085216 WPDSZLMQJISTFU-UXHICEINSA-N 443.544 1.879 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1141803506 KBVXTFLFYLTTLO-UHFFFAOYSA-N 430.436 1.943 30 10 IDEE COc1cc([C@H](C#N)NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)cc(OC)c1OC 1142684977 FQBRLKGLNAKXGK-KRWDZBQOSA-N 448.497 1.402 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1)c1cc[nH]n1 1147802543 MWFWWFMAXAMBMO-INIZCTEOSA-N 427.461 1.115 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)c(Cl)c1 1156040005 MPZDZXCJJROLEP-INIZCTEOSA-N 431.855 1.185 30 10 IDEE C#CCCOC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1185111552 MIAWOIMHNOJCJH-UHFFFAOYSA-N 443.909 1.391 30 10 IDEE C#CCN(CC(=O)N[C@@H](C)C(=O)N1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1197767273 AZTXBUMLRWKVSK-SFHVURJKSA-N 434.581 1.838 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CCN(CCC#N)CC1 1197937808 CNXAWRJQDYSFKT-UHFFFAOYSA-N 435.550 1.933 30 10 IDEE N#CCc1cccc(S(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)c1 1212168372 FALCPTIFCPFHDY-UHFFFAOYSA-N 426.542 1.928 30 10 IDEE C#CCN(C)CCCNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1214225815 GPEMUMHVNREXIJ-UHFFFAOYSA-N 438.550 1.183 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1251526441 NAXYCNXRDZIKBC-FQEVSTJZSA-N 446.548 1.781 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2Cc2cn(C3COC3)nn2)c1 1286309339 RBFAFAKBBSVHDC-UHFFFAOYSA-N 434.504 1.669 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)CN(C)C 1286365906 MSHOMDNPGMSQKV-UHFFFAOYSA-N 432.594 1.853 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)NC(C)C)CC1 1286479029 OTHRFEYESSNIDC-UHFFFAOYSA-N 448.568 1.091 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCCCC2)CC1 1286485442 LXEBHTVKUFWLLL-SFTDATJTSA-N 430.597 1.633 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(CC)C(C)C)CC1 1286489932 IGXXWXOWNNKINA-UHFFFAOYSA-N 426.569 1.375 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)(F)F 1286756160 QVGDTIPYRICLKS-UHFFFAOYSA-N 447.425 1.778 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1286758280 ILBLSRPAZARIIF-QZTJIDSGSA-N 445.593 1.761 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286785760 RYPOVVNJWUGDGA-UHFFFAOYSA-N 437.529 1.666 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1286792460 YOBKMHOSMFLXNR-UHFFFAOYSA-N 442.911 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286821853 VYHUEEOGWJIBHN-VQIMIIECSA-N 431.562 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)CC1 1286824226 XNHONMKOONSGKR-UHFFFAOYSA-N 447.561 1.401 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286828094 HADSVMDATMTZJI-UHFFFAOYSA-N 431.566 1.366 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCC(=O)NCC(=O)NCc1ccccc1 1288703755 DVPDTPQVFLSURV-UHFFFAOYSA-N 443.301 1.412 30 10 IDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)c(=O)n1C 1289665056 DXTIAHJOKVQGTN-MRXNPFEDSA-N 431.500 1.539 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)n(C)n1 1290571294 HXIBGHFOABLTKA-LJQANCHMSA-N 439.545 1.920 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCN2CCOCC2(C)C)n1 1290616749 DCADCIQOKJQLDT-UHFFFAOYSA-N 426.569 1.991 30 10 IDEE CC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)N1CCOCC1 1294334868 TYSKWQLTBGHTLF-QNOZYLDQSA-N 434.537 1.527 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1)c1cc[nH]n1 1297546411 XGKZOGLLOMIANG-MRXNPFEDSA-N 449.508 1.743 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1n[nH]c(C)n1 1300280860 AMZASJLAUUNJSP-CQSZACIVSA-N 442.549 1.323 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc(O)c2ccccc2n1 1300380756 HNRVNZLZGUWKJA-CQSZACIVSA-N 443.533 1.587 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1300380789 ILXWRDGMHRAMMW-UHFFFAOYSA-N 431.504 1.764 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300483506 KNSFKMVLMGSTOC-MSOLQXFVSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1300537675 IEUGSDUJYBIIRX-KNQAVFIVSA-N 435.528 1.832 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300983023 BXJOSWJFHQIHCZ-QGZVFWFLSA-N 427.509 1.349 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1300990529 FSENGYGFZBOMDF-GOSISDBHSA-N 445.593 1.909 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC=CO2)CC1 1301126972 XOSKBISIFMYOCM-QZTJIDSGSA-N 437.566 1.706 30 10 IDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@H]2C1 1301241845 XOGLZVDZJISPLL-LJQANCHMSA-N 428.493 1.967 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1302175940 ZJFCGKILZAHOLS-HXOBKFHXSA-N 441.532 1.988 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1302502235 FXVZMTYUGKINSQ-FDDCHVKYSA-N 438.532 1.947 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1302979474 QRWJMGYKGWTPJW-QMTMVMCOSA-N 428.459 1.580 30 10 IDEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3cccc(C#N)c3)C2)cnn1C 1304098267 IBNLTDLFZVVJDT-HXUWFJFHSA-N 448.531 1.956 30 10 IDEE CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1305293732 KYVUJQWVSSDQRK-SFTDATJTSA-N 429.546 1.993 30 10 IDEE Cn1nccc1CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1305732270 VPJVLQIMUBAQCJ-MRXNPFEDSA-N 426.908 1.642 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 1309677482 BEMJXEHKAQHVBL-FCHUYYIVSA-N 441.553 1.876 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1314637265 UFDTWSAVYUQVHY-UHFFFAOYSA-N 447.499 1.870 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1314817954 ZPKCDMSTERBHRE-GRNWLOBZSA-N 444.536 1.909 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(S(C)(=O)=O)CCC1 1316272271 JVRIOHGJTHGFIC-JYJNAYRXSA-N 425.555 1.708 30 10 IDEE N#CCOc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1322809155 VLICSDSXEMOVJY-QXAKKESOSA-N 433.530 1.315 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1358963003 AFDCCAOZWRFQEX-NQIIRXRSSA-N 441.601 1.914 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359035466 VCPNOEZLKGKESQ-NHCUHLMSSA-N 430.597 1.632 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359136798 VCYLXYUAZFVXKK-GCJKJVERSA-N 435.569 1.874 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)c2ccccc2)C1 1359318870 NZKHJCNOKHBCJB-KRWDZBQOSA-N 440.529 1.990 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@H](C)C1 1359329229 CFLWDKHTZLCBGP-IYBDPMFKSA-N 448.545 1.931 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1359586262 FUBURPCMJFGKLU-KRWDZBQOSA-N 444.561 1.732 30 10 IDEE N#Cc1ccc(CC(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)cn1 1456993018 UBBOMJUYWQHSGA-UHFFFAOYSA-N 435.456 1.809 30 10 IDEE COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466413694 PSEICVBPGDCROU-FWKXQSBZSA-N 435.521 1.952 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CCOC1 1470266415 GSDUPKVAIPQUOJ-KKSFZXQISA-N 438.525 1.050 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)C2)C1 1471389244 AEYZCJJECFHQNS-YOPALGQTSA-N 446.548 1.263 30 10 IDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493231823 GKQSYADXINJIJY-IDTVMJBPSA-N 427.509 1.238 30 10 IDEE CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1499797139 ZNYSYQRBWATFAW-JFDDCEBESA-N 444.565 1.448 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC[C@@H]1OC 1503102464 GYKSNKUWALEONY-MJGOQNOKSA-N 442.568 1.870 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1503229091 STHHNGVTWPJDQU-PMACEKPBSA-N 427.505 1.864 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503370707 AJNNYTZLTPLELJ-UHFFFAOYSA-N 436.495 1.709 30 10 IDEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)cn1 1503660725 HNSURAMTLVZFOL-UHFFFAOYSA-N 427.490 1.783 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCOC1 1504977345 ZFJPSUZDIBNOKL-HUUCEWRRSA-N 428.493 1.574 30 10 IDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1505151230 CQSCAAQHSSVCRP-HJWYETAXSA-N 433.559 1.351 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(C)CCCS2)CC1 1507738521 QOQYZQJSPHMWBV-NRFANRHFSA-N 425.562 1.987 30 10 IDEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507746595 AIBQNKHWTIUYPO-AWEZNQCLSA-N 444.948 1.112 30 10 IDEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507783085 DAUUVKBGAJQMBF-LBPRGKRZSA-N 449.284 1.140 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1507967245 DPNXSDICXRNJOK-CQSZACIVSA-N 430.575 1.768 30 10 IDEE CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1509860276 XDGYVUVGACMZDX-SFHVURJKSA-N 438.536 1.638 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1517616906 UVDBFNKLRSAYRC-LJQANCHMSA-N 437.504 1.535 30 10 IDEE COc1ccc(OC)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1518311864 BCCLYRJQHMEUIF-CABCVRRESA-N 433.534 1.984 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2COCCO2)c1 1519505436 AKRMGXAXCBRXTN-KRWDZBQOSA-N 431.518 1.504 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1519505476 BAYAHVDJQSKUQY-YRNRMSPPSA-N 449.508 1.330 30 10 IDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CCCOC1 1521826169 MCPXZJIAJDHXTE-KRWDZBQOSA-N 442.335 1.602 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C(CC)CC)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539206786 VYEJABYAYYPQIE-WOJBJXKFSA-N 437.610 1.350 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539220226 HPNFQAQJUVZGQZ-USXIJHARSA-N 449.602 1.977 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)NC(C)C 1539406284 XVYYQWGWOZCALI-UHFFFAOYSA-N 427.505 1.717 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1539443923 BDCUWCXWGIBGOG-UHFFFAOYSA-N 445.571 1.983 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CCC)CC2)CC1 1539446753 IFBAOTWWIMQGDK-HXUWFJFHSA-N 448.637 1.057 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1539729125 GEQZVODWNOHFBZ-KRWDZBQOSA-N 448.593 1.937 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1CC 1539751389 MJDQDHCDQOZHSQ-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540029175 YQWUJMUZOPAIKB-LJQANCHMSA-N 449.515 1.882 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1540867889 LACCFIPWYGLLIN-MRXNPFEDSA-N 440.508 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1540899606 UWWNGLFAMKJRGS-UHFFFAOYSA-N 428.967 1.768 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNc2ncccc2C(F)(F)F)cc1 1543156029 NJEJQHIYZAHUMJ-UHFFFAOYSA-N 427.408 1.479 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1 1544293137 AFLURGGQPOIALN-CVEARBPZSA-N 430.571 1.846 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1544550877 BJFFQCBZLXDIAR-FXAWDEMLSA-N 437.548 1.330 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1555013545 HXIPCXSBFMULGN-DPPKGPFUSA-N 438.488 1.705 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CC1 1557512685 DIASXUAZKUEOKQ-UHFFFAOYSA-N 430.509 1.191 30 10 IDEE C#CC1(O)CN(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1562867110 PZVGYWBSBPUKEA-UHFFFAOYSA-N 431.470 1.716 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1566153620 FVWWHLHWGZQYTM-HNAYVOBHSA-N 438.337 1.952 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@@H]2CCCCN2C1=O 1570097428 UFVSWEQPGOWLBA-DOTOQJQBSA-N 432.546 1.555 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1587638110 BQOIDARLBMVWSM-UWJYYQICSA-N 438.532 1.413 30 10 IDEE C#CCCCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1587894018 MMWVCFBJWOFSOO-DENIHFKCSA-N 428.537 1.754 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1588054654 PHOFXRIBPSHSTL-RTBURBONSA-N 441.557 1.407 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)(C)C 1588099212 JOYGCWYZGAMUKS-UHFFFAOYSA-N 441.557 1.584 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1588140416 WZTSCAICSJNHJC-KRWDZBQOSA-N 441.513 1.480 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1588238085 KGIUFMGRWWNEMN-UHFFFAOYSA-N 428.496 1.639 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2CN(C)C(C)C)CC1 1588806560 VFKYFTFGBYYWFV-QFIPXVFZSA-N 449.603 1.873 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(Br)n2)CC1 1588811418 IVPSRLVGRJAETO-OAHLLOKOSA-N 431.338 1.743 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588899037 KXLLXEYUGTUMAU-XDHUDOTRSA-N 448.527 1.322 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595562260 RRGFAYIGNXHDJK-UHFFFAOYSA-N 441.536 1.481 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(S(C)(=O)=O)nc2)ccc1F 1595745529 ZECZFYIJIATUFR-UHFFFAOYSA-N 427.479 1.019 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1 1595761072 XGNQUOUMKDZICT-HNNXBMFYSA-N 448.549 1.530 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1596450027 WQBUZEMCDHBTAX-ZBBYCGENSA-N 429.525 1.108 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(OCCN(C)C)c1 1608399668 DPIMKSJPKDYANI-QFIPXVFZSA-N 443.527 1.847 30 10 IDEE C#CCN(C(=O)Cc1c(C)nc2nc(N)nn2c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1611645127 IPUFOQLQHRCNRV-UHFFFAOYSA-N 441.536 1.727 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1617312504 GTLNGJYPDPXKDH-UHFFFAOYSA-N 432.550 1.020 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2c(Br)ccc(OCC)c2F)CC1 1634876612 WYEHZEFKOBPQJV-UHFFFAOYSA-N 426.286 1.494 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)C2)C1 1636855502 OQVQDNBYGOUZIH-XNROWMOSSA-N 442.520 1.664 30 10 IDEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639174979 IGRJMXLZYFTQJB-DEYYWGMASA-N 429.564 1.126 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC[C@@H](CC#N)C1 1645300882 GDYIKEFKNZNRJP-KRWDZBQOSA-N 434.562 1.787 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 1648076920 PQZPDSLKIRGEGB-UHFFFAOYSA-N 448.545 1.139 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1648130596 UQDMOTYJIGDZAY-GFCCVEGCSA-N 433.324 1.142 30 10 IDEE Cn1cnc(-c2nnc3n2CCN(C(=O)COc2cccc(Br)c2C#N)C3)c1 1648929126 ZVYCJBUIHROVCE-UHFFFAOYSA-N 442.277 1.734 30 10 IDEE CN(CCc1cccc(C#N)c1)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 1655381397 NPXQFCPPEHBBNU-UHFFFAOYSA-N 431.496 1.406 30 10 IDEE CC(C)C[C@H](NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)C(=O)N1CCOCC1 1686877687 SRSLYLZFTBIZIW-OALUTQOASA-N 428.537 1.813 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(OC)c3ccccc3c2)CC1 1687782378 NIKDXEMFQFUWAT-MRXNPFEDSA-N 430.530 1.704 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689855581 YKIJVTIXGPYXAO-CABCVRRESA-N 437.516 1.887 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689988745 VQXCJOBGBZGYMS-CABCVRRESA-N 437.591 1.142 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1690096544 VMHZUKDCBDAZGV-UHFFFAOYSA-N 435.576 1.929 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1690103857 HYEPXFWNYSICSS-SFHVURJKSA-N 431.562 1.403 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NCCC)CC1 1690111803 KEJWJTLGZGWZPV-KRWDZBQOSA-N 428.512 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1690124431 LCNCBZCOUJRQJW-ROUUACIJSA-N 432.569 1.698 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCn2cc(Cl)cn2)CC1 1690143953 HOERTWCMZKGVPF-UHFFFAOYSA-N 439.911 1.251 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1690665769 OVJASLUTCHSVQC-QGZVFWFLSA-N 440.548 1.939 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1690727278 ZBOQERXSGXXNMD-MRXNPFEDSA-N 427.534 1.713 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1Cc1ccc(C#N)o1 1692799198 GFOQVQKHWJOBSB-HUUCEWRRSA-N 433.538 1.076 30 10 IDEE Cc1nccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1693386682 CFDKZODFKORKFE-HNNXBMFYSA-N 442.549 1.602 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1698246551 UGELZDUWTNLZLY-XERREHJYSA-N 429.500 1.953 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1705551083 GDJFRTOJSBKGDO-ZDUSSCGKSA-N 443.451 1.742 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1705584708 VDCRXVHDBAFELJ-IBGZPJMESA-N 446.477 1.990 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)NC 1705619968 HXTMPHILVOVAMN-GOSISDBHSA-N 435.525 1.848 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2snnc2C)CC1 1705634139 KYUFWPQTYSJPOB-UHFFFAOYSA-N 447.366 1.999 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1705661008 OIPKGINORXURBH-UHFFFAOYSA-N 439.593 1.846 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705739701 NXWCYXMOVMUSHO-UHFFFAOYSA-N 449.577 1.840 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705818871 YBCQIRIQILDGKO-QZTJIDSGSA-N 429.569 1.328 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1705849102 CPAQMIHYRJGJJX-ZZEZOPTASA-N 448.487 1.607 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1705862613 PYIJVXNKCVCAIW-GOSISDBHSA-N 442.495 1.420 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1705905638 BPMUISZXOHKHBV-UHFFFAOYSA-N 436.520 1.185 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1705919220 ZIMGWSVTOQBABZ-QGZVFWFLSA-N 442.545 1.945 30 10 IDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1)N1CCOCC1 1706256759 FZGIXQGTTNFBHS-HXUWFJFHSA-N 437.548 1.452 30 10 IDEE CC1(C)COCCN1CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1706957010 CRHCXEXTOSPZRC-KRWDZBQOSA-N 444.511 1.836 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1710837913 BAPPQYWGQLOJDS-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE CN(CC(F)(F)F)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1711064513 WSCNELXYDPAPJO-MSUUIHNZSA-N 435.410 1.789 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1712880317 FARLKVMVBYIFGZ-GOEBONIOSA-N 432.431 1.465 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCNS(C)(=O)=O 1722467857 HMKPBEUKKZKKMD-HXUWFJFHSA-N 433.534 1.504 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722549830 AOCQBXFLSSQMIN-AWEZNQCLSA-N 430.962 1.280 30 10 IDEE C=CCn1c(N(C)C2CCN(CCn3cccn3)CC2)nnc1[C@]1(OCC)CCOC1 1722689200 JNAJRPZVXKRYRL-QFIPXVFZSA-N 429.569 1.914 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1722709614 UIMJZOVKDSRHIC-HOTGVXAUSA-N 425.555 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722730163 KJZKCYXSQOPEQZ-HNNXBMFYSA-N 444.604 1.155 30 10 IDEE Cc1ccn2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CC[C@](F)(C#N)C3)nc2c1 1724247039 GWFGBOQRESQKKU-KUHUBIRLSA-N 446.512 1.335 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@@H]2OC)c1 1730022404 DVNMBDQZULXQJC-YSGRDPCXSA-N 443.504 1.743 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)c1 1730022694 IEGBLYPNDGDHDS-SFHVURJKSA-N 426.477 1.217 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1730934730 PJHYBXYRBAILRR-ZCNNSNEGSA-N 427.505 1.926 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 1740565524 BXMHTUBKYWFCMR-UHFFFAOYSA-N 441.557 1.963 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1740627188 OPMRTAZWXGIXIF-PBHICJAKSA-N 436.484 1.735 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OC)c2OC)CC1 1740699201 XVMPBMMTMWLRRM-UHFFFAOYSA-N 438.532 1.221 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NC)CC1 1740792401 IJRAYKIZFZPACE-UHFFFAOYSA-N 430.509 1.561 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740900729 XIRBWFXCJCWUQX-YJBOKZPZSA-N 433.534 1.694 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1740977953 LRYDQUWWMOINRA-WZONZLPQSA-N 443.548 1.810 30 10 IDEE CC(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741117965 ORADNHMBJIQXQT-LJQANCHMSA-N 425.512 1.711 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CN(CC(C)C)CCO1 1742835130 DFLBGBHRGMTFNQ-IEBWSBKVSA-N 439.568 1.320 30 10 IDEE CCCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1745533494 BMMGFSHEJFJCGZ-QGZVFWFLSA-N 427.509 1.767 30 10 IDEE CN(C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1747659853 RBSSGALUGUYJFV-OAHLLOKOSA-N 448.549 1.545 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1 1747996817 AJLYMQIRQCMDPS-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1748962124 AKPJCRAFOYIIRU-PGRDOPGGSA-N 444.557 1.100 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1748999000 FGHNJQZEOVWHRU-IRLDBZIGSA-N 439.560 1.972 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2)C1 1749731258 ABIFKRYJQZRNNK-QZTJIDSGSA-N 445.545 1.408 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1749756569 ZMKXPRVDXHPFNH-MRXNPFEDSA-N 441.623 1.911 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCC(F)(F)F)CCOC1 1750062952 ZKERQTAEZPWRBP-GUYCJALGSA-N 432.447 1.593 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC2(O)CCOCC2)CCO1 1750387820 BYVUWDMJLGESDB-OAHLLOKOSA-N 433.459 1.807 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC(OCC)C1 1760113440 VCBXWMVRGMYLRK-OYMFQORVSA-N 439.564 1.840 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1760245774 LPVWNDWVHSYKLF-PZJWPPBQSA-N 448.531 1.988 30 10 IDEE C=C(Br)Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760313918 HLEANKUWZLWXJE-INIZCTEOSA-N 433.372 1.796 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760351214 DXAMULQQVKNGEF-KRWDZBQOSA-N 439.520 1.719 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCOCC1 1760461558 YNIHNTMLISEZDQ-KRWDZBQOSA-N 447.609 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1760516565 QQJVEQZJVZHRHZ-CABCVRRESA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760520562 RWZBPPHUVPBSIO-UHFFFAOYSA-N 425.537 1.726 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1760525146 WBRMCLGAXJDPPZ-HSZRJFAPSA-N 436.491 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760553542 FESNUVVTDZYBPG-LJQANCHMSA-N 436.626 1.361 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC)OC)CC1 1765632916 FIKJUTOIZWFRKG-LJQANCHMSA-N 425.537 1.500 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1767383686 WIBUMPPUQWYMNC-QFIPXVFZSA-N 426.521 1.391 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@H]1C 1769843366 HQGZPRGMJYWKSQ-MRXNPFEDSA-N 429.525 1.857 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1770015234 DFVNDXBBCNYXEG-SJTPKYKMSA-N 432.525 1.765 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(C)(C)O 1770203492 KHBMUCLJQMWPGY-KSSFIOAISA-N 442.520 1.698 30 10 IDEE CSCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1771465452 HOJHNOOISGDAAD-KRWDZBQOSA-N 439.545 1.107 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCO[C@@H](C#N)C2)cc1 1852748149 BMBNSFRRENNMIG-ICSRJNTNSA-N 429.498 1.336 30 10 IDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 1853019793 UDCGIFMYFSWRCY-MOPGFXCFSA-N 427.505 1.681 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)COc2cncc(Cl)n2)cc1 1853309784 ALFPMCUQCDLWKO-KRWDZBQOSA-N 432.864 1.703 30 10 IDEE N#Cc1ccc(CC(=O)N2C[C@@H](C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1853895541 XNOURRUTGDRYAL-VQTJNVASSA-N 429.542 1.375 30 10 IDEE Cc1ccc(C(=O)N2C[C@H](CN3CCN(S(C)(=O)=O)[C@@H](C)C3)CCC2=O)cc1C#N 1854251473 PPWHTOGHRONUNC-IRXDYDNUSA-N 432.546 1.211 30 10 IDEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854429512 SUZRCNFEQSOQLB-UHFFFAOYSA-N 433.530 1.855 30 10 IDEE C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854646207 WHIFTIBQZNHBDA-HZPDHXFCSA-N 427.482 1.774 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@@H]3CCc4ccccc4C3)C(=O)O2)CC1 1856653057 KZSMTWDNJOMVDL-MOPGFXCFSA-N 431.514 1.704 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC(C)C)cn1CCN1CCOCC1 1870423906 SEGJOWISIDRONH-UHFFFAOYSA-N 447.576 1.933 30 10 IDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2)c1 1889715704 QQLBRBDGIGGPIR-FUHWJXTLSA-N 434.452 1.757 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)NCC#CCN(C)Cc3ccccc3)cc2)CC1 1891373842 LNNIVPIKERYQDN-UHFFFAOYSA-N 446.551 1.856 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)cc1 1891515257 CLLZHEDUWFEAAI-UHFFFAOYSA-N 427.465 1.180 30 10 IDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(COc2nccnc2C#N)CC1 1892114332 LVISLEIZBXTUJJ-UHFFFAOYSA-N 433.446 1.745 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060633007 ITHSMNOGZXURPR-AWEZNQCLSA-N 430.314 1.971 30 10 IDEE COC(=O)[C@H](CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2060637025 FYOYKCBYNIVHCI-FQLMCAECSA-N 438.330 1.993 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255605836 SGKWCOKCJZMNNG-CHWSQXEVSA-N 438.309 1.786 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)CC1 2255874215 RQLMQKASDMTGLP-UHFFFAOYSA-N 435.334 1.149 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2256627339 USBBMYAFOOIYEE-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267478806 CLWIYHPEXYQSPM-SJORKVTESA-N 447.341 1.481 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267506170 TXLGBOLJRQDRNK-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC(O)C1 2268707486 SZSDBMLRKAUVPM-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE CC1(C)OB(c2nc(=NC(=O)c3cc(Br)ccc3N)s[nH]2)OC1(C)C 2271351366 WQBZFMOJWPMXSC-UHFFFAOYSA-N 425.117 1.856 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCC3(C2)OCCO3)OC1(C)C 2282511034 ILPGPEMHHBMSQN-ZDUSSCGKSA-N 444.384 1.547 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320554776 ITUCPEVYDXLETN-JSGCOSHPSA-N 438.309 1.738 30 10 IDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)C(=O)C1=O 64835488 RFKUWFWUKDWOHN-UHFFFAOYSA-N 441.937 1.359 30 10 IDEE Cn1c(CO)nnc1SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 431230291 AOXSYNWKIMEUPG-CYBMUJFWSA-N 430.534 1.769 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOc2ncccc2F)CC1 437174275 ZSKZWZXYEGNDCF-UHFFFAOYSA-N 433.465 1.187 30 10 IDEE C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 442306549 OQFLAEJJTSSEHZ-SFHVURJKSA-N 435.546 1.344 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C[C@H]1CCCO1 445591190 KKBFJUVGKDCIGK-OAHLLOKOSA-N 449.935 1.909 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@H]1CCCO1 447005308 GQVCJIHTSYQGPX-MRXNPFEDSA-N 437.521 1.863 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@H]1CCCO1 447268352 VCNXJFCYFDCXDU-GFCCVEGCSA-N 435.958 1.609 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460375733 QOBREQRXJWIBGS-UHFFFAOYSA-N 425.541 1.273 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cnn(Cc2ccccc2)c1 460594082 DBUOEYOZWJNFNS-UHFFFAOYSA-N 440.467 1.947 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1C 489090357 UWDAHDQUXSINBR-UHFFFAOYSA-N 434.543 1.574 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccc(F)cc2)c1=O 505694163 LBTUCMONNLAHJS-UHFFFAOYSA-N 439.516 1.355 30 10 IDEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508807676 CQSDEBHIONSIAL-RUZDIDTESA-N 449.603 1.807 30 10 IDEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 509010707 KIKAYIDGDVNCLY-UHFFFAOYSA-N 428.512 1.559 30 10 IDEE C[C@@H](C#N)CN(C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C1CC1 513919303 XBSAKPQXISJOHO-ZFWWWQNUSA-N 440.547 1.308 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCCO3)CC2)C1=O 517955785 HCWIYPBEEKBTDH-QGZVFWFLSA-N 435.488 1.516 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(c2ccc(C(N)=O)cn2)CC1 532664671 CMEJXBDZTRFBCL-KRWDZBQOSA-N 436.516 1.646 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)CC2)n1 544864354 CDDPTOWKCCJNPG-RBUKOAKNSA-N 439.516 1.584 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 546092549 WMNDGAWWUXGYPE-UHFFFAOYSA-N 430.552 1.402 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(Cc2ccccc2)c1=O 556785766 JBRZGSFZQHILQG-UHFFFAOYSA-N 435.553 1.275 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 561547718 AKBUQABSWOOYQD-GFCCVEGCSA-N 440.469 1.126 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)c1 608782980 PQAMNIAFBAXMCS-UHFFFAOYSA-N 433.534 1.344 30 10 IDEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 610232722 IOYUSIHUNDWEKX-AWEZNQCLSA-N 439.497 1.926 30 10 IDEE C=CCn1c(SC[C@H](C)CO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 677993342 XRROSDUIIATMOZ-OAHLLOKOSA-N 438.575 1.873 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Cl)cc2F)c1=O 682079903 DDWNNNOGLVJNAH-UHFFFAOYSA-N 447.919 1.663 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H](C(=O)N(C)C)C(C)C)nnc12 729693805 DVJVFYBODHFXMJ-KRWDZBQOSA-N 443.529 1.978 30 10 IDEE N#CCOc1ccc(CC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 732363269 HZAMWWMKQNGISY-UHFFFAOYSA-N 427.482 1.721 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734565658 SRDXSXUFAGWAFJ-HXUWFJFHSA-N 445.497 1.737 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 737305136 FMQHYOZPQXUPJN-VLGSPTGOSA-N 433.415 1.146 30 10 IDEE CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1 742246292 UIRNFSGMILGOLC-BSYVCWPDSA-N 435.594 1.856 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 746758768 AGBOKGJVUWUMRD-DQRAZIAOSA-N 439.516 1.293 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 749338054 RNUJGIGBQSAEQD-OAHLLOKOSA-N 439.540 1.419 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)[C@H](C#N)c1nc2ccccc2s1 749549185 CBDUJKCCLLFWRH-MBHGPEPQSA-N 427.482 1.898 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 751923098 SAYDKBBPPSGDNU-CJNGLKHVSA-N 437.541 1.268 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@H]2CCN(C(=O)NCC)C2)c1 760324371 XOFUSXZHJXAZLT-DLBZAZTESA-N 427.530 1.539 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 760772682 KJTXNBKBXOXOEX-HXUWFJFHSA-N 437.500 1.933 30 10 IDEE COc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCOCC2)cc1OC 770447978 RNBSBBMDMITARM-IBGZPJMESA-N 446.529 1.708 30 10 IDEE C#CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774194477 GIOLLBDSBQDLBD-RBUKOAKNSA-N 439.965 1.545 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 774261899 DFMXCDVQZUHVGB-CZUORRHYSA-N 427.885 1.416 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)cn1 784127640 YWWBEVZNJCQMPA-DOTOQJQBSA-N 449.577 1.516 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)[C@@H](c2cccnc2)C1 805823244 DUVBQHQRBNVGNV-MRXNPFEDSA-N 426.481 1.548 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 809923069 YADGSAXDCOSFEJ-MSOLQXFVSA-N 443.552 1.949 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1 812526156 DELQFZZQSAJZDQ-OXQOHEQNSA-N 431.445 1.542 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1 816291019 CKKXAZIHDKCBME-UHFFFAOYSA-N 445.328 1.632 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 913378640 GSTGMUPHGYODFX-ABTIHDLSSA-N 441.488 1.108 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)ccc1F 915150797 LPAPGBULDFFXSJ-AWEZNQCLSA-N 438.506 1.990 30 10 IDEE CCC(=NNc1nc(Sc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n[nH]1)c1ccccc1 1083933247 AKSRVYQXECRZMM-UHFFFAOYSA-N 425.478 1.456 30 10 IDEE COc1ccc(C(C)=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)cc1 1084192468 XCUVCWDVORTQGJ-UHFFFAOYSA-N 441.477 1.074 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)c(=O)nc1O 1159490201 NJSINYOPCOGHLW-ZDUSSCGKSA-N 448.266 1.564 30 10 IDEE Cc1ccc(-n2cnnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C 1179649918 CINVSEXKIRYPBT-HNAYVOBHSA-N 431.543 1.373 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)C2)c(=O)nc1O 1181000324 NIESHWNXEPDORO-NRFANRHFSA-N 446.463 1.907 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1228783065 FOCDHOSAGYCOCB-UHFFFAOYSA-N 426.517 1.344 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1286297465 BRZUKEPWLPDLMG-RDJZCZTQSA-N 425.518 1.267 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1286376094 FJLBRZJCJJDVIA-ZWKOTPCHSA-N 433.534 1.068 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1CC 1286409458 MBSBPUAEKHSALC-FHWLQOOXSA-N 433.578 1.510 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1286467323 UNOHESRXVUBAIZ-SFHVURJKSA-N 434.537 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1286481403 VFWNWBQTHIFNFU-NJDAHSKKSA-N 444.624 1.815 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncc(CC)s2)CC1 1286481412 VJQIFZGXWHEOKZ-OAHLLOKOSA-N 434.591 1.003 30 10 IDEE C=CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1286677653 HAXQCNUMDFJSDE-AEFFLSMTSA-N 446.577 1.527 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286710793 CXSJOTDRLBKRSW-OAHLLOKOSA-N 425.497 1.398 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286771338 KLWKNUFLRHBBQG-UHFFFAOYSA-N 425.493 1.991 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC=C)Cc1cccc(C#N)c1 1286779109 NXIYOYRXSCZCKA-UHFFFAOYSA-N 433.516 1.881 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286799664 YLYGCTIJLQQHTB-QHCPKHFHSA-N 441.532 1.868 30 10 IDEE CN1CCn2ncc(C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)c2S1(=O)=O 1297321058 CXWQRUVFMXQYFE-KRWDZBQOSA-N 448.936 1.193 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1297801010 FXUPCSXPUKESNX-UWJYYQICSA-N 429.473 1.454 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2(O)CCOC2)c1 1300331302 IBLGYKOTXYGZBE-QHCPKHFHSA-N 432.484 1.548 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300481891 CIQSGCOSVOSDOR-IPJJNNNSSA-N 448.589 1.913 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300487639 KPZIZXCPKQFLAP-LAUBAEHRSA-N 431.562 1.725 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1300500827 DRHNVKSLODMDLS-LJQANCHMSA-N 430.578 1.902 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN(C(C)=O)C1 1300541197 NLNCEXXGNJMYLX-HXUWFJFHSA-N 429.528 1.848 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1300556844 NELRKADSCCJYCD-CABCVRRESA-N 427.621 1.200 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC 1300672274 XJUBOHDAMBAGHX-IAGOWNOFSA-N 437.541 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(CO)c2)CC1 1300724847 CSUZMYQRCOBOEQ-OAQYLSRUSA-N 437.544 1.679 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCC)c1 1301296005 CVYOBJRPIKIZIL-LJQANCHMSA-N 449.577 1.875 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1301372466 ZESHJSZDCQYMEQ-UHFFFAOYSA-N 425.493 1.353 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1301402231 DCDOBRAQDGYCJX-OAHLLOKOSA-N 429.612 1.931 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301492355 GNQHZOXJQGEWFN-INIZCTEOSA-N 433.516 1.853 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1301502905 SKJBKKOMDLHPST-UHFFFAOYSA-N 428.512 1.880 30 10 IDEE COCCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1301591315 MGZLYAQMSXNNMJ-HTXNQAPBSA-N 445.911 1.993 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1=O 1301861490 VVXWRGNXUUUGAT-AZUAARDMSA-N 438.532 1.927 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc([C@H]2CCOC2)cn1 1303648448 ZENJNJNFCWHHQU-APWZRJJASA-N 448.531 1.917 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1cnn2ccccc12 1303818986 FDIUSTQFHFKOTA-OAHLLOKOSA-N 442.549 1.714 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1303900162 MWUFJIDWBNODGN-ZWKOTPCHSA-N 428.537 1.907 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H](C)COC 1307924967 VAJVLHLRKMTGLX-INIZCTEOSA-N 429.970 1.696 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCOCC1 1316188101 YTFKJAXMZORGQT-OAHLLOKOSA-N 442.520 1.964 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1358948454 CQZMYFHCTMLPPT-LJQANCHMSA-N 431.562 1.486 30 10 IDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358996778 RFYFFGGUISWNMJ-UXHICEINSA-N 429.590 1.898 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1359052773 PMFDREFDRZANTR-UHFFFAOYSA-N 434.953 1.655 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359292286 MFUVGGHYAKBXAV-PBHICJAKSA-N 446.939 1.371 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359297372 OIYJSEURBJCVNM-QGZVFWFLSA-N 427.553 1.275 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCN1CCOCC1 1359298210 RBHRIBXQYAOMCZ-UHFFFAOYSA-N 437.548 1.507 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1359299020 RQCZRICOAXIXCI-IBGZPJMESA-N 431.500 1.697 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 1359326799 JYWIWCJJLWMSDM-ZDUSSCGKSA-N 437.488 1.796 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359437224 AYSMHCMBSMJUTM-QBEKEKFNSA-N 441.536 1.110 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2cc3ccccc3nc2OCCC)CC1 1455116037 VSNBRUDLCCJATL-MDZDMXLPSA-N 442.541 1.649 30 10 IDEE O=C(Cc1csc(N2CCCC2=O)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1458005918 ZAMSZIHNTJZDCU-UHFFFAOYSA-N 428.470 1.717 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 1468372353 DMCKARPTTVKQNA-GFCCVEGCSA-N 434.312 1.246 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)n1 1476738422 UGKQBYYPPABRNR-UHFFFAOYSA-N 433.534 1.756 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1507574518 OKIRDURSQAHFID-JKSUJKDBSA-N 446.581 1.223 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507624540 BFXGTEOIIXWSAH-IRXDYDNUSA-N 436.509 1.565 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1507632188 JOHJGUSJXCGCDQ-GOEBONIOSA-N 433.559 1.274 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1507637703 MGRSDRBZHTWKSK-QZTJIDSGSA-N 430.530 1.445 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2nccc(OC)n2)CC1 1507808791 HUEBTAIVCJCHOE-PXNSSMCTSA-N 443.552 1.921 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1508142302 SCNMRRBGWIXSER-SJLPKXTDSA-N 447.536 1.963 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1Cc1nnn(C)n1 1519160770 DCYVRIQSJMXUQI-UHFFFAOYSA-N 446.313 1.646 30 10 IDEE COCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519179777 KVGWJCAMKCNIQY-UHFFFAOYSA-N 439.501 1.451 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1519180745 YWESXMRYEPGSIE-BTYIYWSLSA-N 430.509 1.411 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 1538992294 OSMQYHFNOOHVNS-LLVKDONJSA-N 431.298 1.746 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1539013695 JMOFDSUQDBKFDM-HOTGVXAUSA-N 425.555 1.028 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1539179230 NXWCENQQSFSUQY-GNZRSQJKSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(C)n1CCCc1ccnc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1539205725 JTMAJCSRHSMWPV-GOSISDBHSA-N 430.578 1.934 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1539438150 PNCROVXXEBNDQZ-UHFFFAOYSA-N 440.573 1.785 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)COC)CC1 1539484163 FHURIAGRRNWQJP-GOSISDBHSA-N 449.559 1.765 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cnccc3C#N)CC2)CC1 1539717136 YHRWBKOZTXNNSK-UHFFFAOYSA-N 428.493 1.384 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539917332 BMUIGTZIRQGTGI-QGZVFWFLSA-N 431.585 1.478 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1541106600 ZGVCOMYGHBULSC-UWJYYQICSA-N 443.573 1.894 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1OCCC1(C)C 1541661580 JCNGOZDMWUVLKL-QGZVFWFLSA-N 439.520 1.766 30 10 IDEE Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)n(C)n1 1542998694 ZUZOOUMMVFHHDN-HNNXBMFYSA-N 445.325 1.865 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 1545777409 ZKVVSGPIYNRPRC-MRXNPFEDSA-N 444.536 1.537 30 10 IDEE CNC(=O)c1cccc(CCn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)c1 1554412363 CEVVFWPOCKZEIM-FQEVSTJZSA-N 448.531 1.471 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1555992841 COBTXROKWLWAFF-OALUTQOASA-N 442.495 1.746 30 10 IDEE C[C@@H](CC(=O)N[C@H](C)C(=O)NCCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1556920713 DMMBSTJBSWDHQB-JKSUJKDBSA-N 442.541 1.367 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 1564616136 HMBVLXVFZBNRMO-RTBURBONSA-N 434.562 1.165 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](CCSC)NC(N)=O)nc1C 1565625017 WQMOPBRAPHRDBI-VIFPVBQESA-N 427.581 1.913 30 10 IDEE COc1ccc2nc([C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 1567878841 BVKGNJCJTVLQMO-QWHCGFSZSA-N 427.486 1.987 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1568629356 PZNLIBJIJCDFQR-KRWDZBQOSA-N 426.448 1.554 30 10 IDEE N#Cc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1586145355 GGCQKIQULAJAKM-UHFFFAOYSA-N 427.526 1.871 30 10 IDEE O=C(Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1)c1cccc(C#CCO)c1 1587003443 LOIBFTXDCQJDSC-UHFFFAOYSA-N 449.479 1.957 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1588138761 IRZKBOMGDLYSKW-OALUTQOASA-N 425.558 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1588186352 WJINUSKGVZOPAM-HFMPRLQTSA-N 443.592 1.892 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(COC)CCOCC1 1588218893 HDIWKXPQNHECHP-UHFFFAOYSA-N 439.516 1.912 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCC[C@H]1C 1588629021 UDWOKDOYGDLOBW-SJLPKXTDSA-N 446.577 1.749 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1588646903 PAJCIPNEARQFCW-APWZRJJASA-N 446.529 1.311 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588871683 NADNPSFSLMKLER-YKSBVNFPSA-N 439.560 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(C)cc2)CC1 1588884948 PFZFWWMHHLBBFC-UHFFFAOYSA-N 436.560 1.933 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC1 1588913342 HTNRQUWVZOWDNV-MRXNPFEDSA-N 430.459 1.730 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1589216065 JCDPCQCJXYMQMZ-JTDSTZFVSA-N 439.607 1.356 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@@H]1C 1589242516 CFMPJDNPAVGAFK-LPTQZCDUSA-N 429.546 1.802 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21)C1CC1 1595020816 OSTHJYGPYJEOSG-VFNWGFHPSA-N 431.562 1.877 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O 1595178139 GMECKJOMVTXUCT-GJZGRUSLSA-N 431.584 1.034 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595561972 JREOCXMENPFUHD-FUHWJXTLSA-N 430.578 1.390 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1595577301 OMBDHUWPXULRCK-UHFFFAOYSA-N 440.548 1.772 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595602023 DBSLGFLTTGTQQO-CYBMUJFWSA-N 434.438 1.454 30 10 IDEE COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1602800270 XVFVCUSWCMZWML-OOHXQLJPSA-N 426.473 1.789 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc(OC)c(C#N)c2)cc1 1611626392 HVPVZDLCSFQHLW-UHFFFAOYSA-N 444.513 1.966 30 10 IDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)OC 1613656182 CPABFEZUBJDDIV-MSOLQXFVSA-N 439.520 1.710 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(COC)CC1 1617385371 AHBREXMQPMQOIN-UHFFFAOYSA-N 430.534 1.539 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCC(O)CC2)CCO1 1620356653 FELIVSHZZAPTEG-SFHVURJKSA-N 444.511 1.572 30 10 IDEE C#CCN(CC(=O)NCc1ccccc1N1CCN(C(C)=O)CC1)C(=O)OC(C)(C)C 1626334010 BTWUIGXROMVBDY-UHFFFAOYSA-N 428.533 1.842 30 10 IDEE C=CCN1CCC(NC(=O)c2ccc(I)cc2-n2cnnn2)CC1 1628376036 RZMWQBODRRLEAJ-UHFFFAOYSA-N 438.273 1.647 30 10 IDEE C=CC1(CC(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 1632117690 REDZIKBWLXCHLO-MRXNPFEDSA-N 441.536 1.975 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)CC2(CCOCC2)C1 1632953842 LCLNPTCYGCOILC-AEFFLSMTSA-N 449.573 1.530 30 10 IDEE C=CCN(C)CCN(CC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1634647042 VOBRHZZEKHJKPJ-KZNAEPCWSA-N 443.610 1.623 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)C2)nc1 1638906617 YQXOKWPHILVQAS-QGZVFWFLSA-N 431.493 1.864 30 10 IDEE Cc1c(C(=O)N[C@H](C#N)CO)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 1640691473 OLTXNOWDNFZJLM-GOSISDBHSA-N 434.475 1.887 30 10 IDEE N#Cc1cn(CCNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c(=O)nc1O 1641033717 GMDYIEGURDQYDK-LJQANCHMSA-N 435.406 1.391 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(F)(F)[C@@H](C(=O)OCC)C2)ccc1F 1641786972 GJPPWAPCBAZEHL-CYBMUJFWSA-N 434.436 1.951 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1643599212 ICOPHNYCQFIZEY-SPLOXXLWSA-N 447.488 1.655 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2Cc2nnc(-c3cccc(C#N)c3)o2)C1 1647929794 PDRKOEOYIMZESL-UHFFFAOYSA-N 438.488 1.920 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 1651508787 ADTKVLSZBNMUHJ-CRAIPNDOSA-N 442.497 1.709 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCSCC1 1689846722 MYNYLVHYCACHID-INIZCTEOSA-N 447.634 1.745 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1689937364 XVGNIDGUENQTEO-QZTJIDSGSA-N 442.589 1.840 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1689991123 WFGLVMAGOOLRJW-MAUKXSAKSA-N 433.509 1.381 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690061081 QRNCHEBAWHVURS-YLJYHZDGSA-N 439.582 1.060 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1690091521 WICPHDWCCVFCDF-UTKZUKDTSA-N 448.520 1.111 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(C)CCO[C@@H]2C2CC2)CC1 1690152755 WTXVKPKVXJCPEN-OFNKIYASSA-N 429.565 1.986 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690285990 VXLUSRMKJWNPBF-ACBHZAAOSA-N 443.596 1.622 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1690723640 XNGNKZKOBYHYPS-HXUWFJFHSA-N 446.533 1.737 30 10 IDEE CN(C)C(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1696584968 KAZZIHPXVQVJRW-UHFFFAOYSA-N 435.488 1.992 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCOCC(F)F)CCO2)c1 1698485518 GMJUSIVDLHIYIG-IRXDYDNUSA-N 446.458 1.960 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705479922 QGBAFTMXZNSQOR-NJNPRVFISA-N 433.553 1.272 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@@H]1NC(=O)NC1=O 1705579978 AIQLFURUJOTULL-KRWDZBQOSA-N 443.467 1.661 30 10 IDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C)c1ccccc1 1705742622 AVTOEFQEFHXMQS-GOSISDBHSA-N 431.562 1.854 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2=O)CC1 1705780363 GLSNCOZDJDMDMW-INIZCTEOSA-N 438.598 1.693 30 10 IDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705819578 OUNVZGWRTYLZDQ-RTWAWAEBSA-N 432.613 1.979 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705846966 ZOOSWCKIVBUTAE-RBUKOAKNSA-N 447.609 1.966 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1705907929 CDYQDLRRKWCGTJ-UHFFFAOYSA-N 434.953 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705937617 ZBRKGYTWSSGOTE-GOSISDBHSA-N 444.561 1.066 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC2(CCOCC2)O1 1708177263 NYBLOQRGKKKLBY-GOSISDBHSA-N 441.532 1.990 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1710909254 JNISNJGTRYTVAT-INCQDFKNSA-N 430.534 1.862 30 10 IDEE COCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712618703 FDMDBFBLXSXLSK-FQEVSTJZSA-N 428.512 1.848 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)C1 1712877319 IGAIDQSIQHILBN-FQEVSTJZSA-N 429.525 1.973 30 10 IDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722614237 GYOFRKXVLXDUEQ-UHFFFAOYSA-N 437.508 1.758 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1722724405 VXOWXDRCJCMCML-SFHVURJKSA-N 431.562 1.834 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCSC1 1722728776 YUXOSILMWFWNPR-ZDUSSCGKSA-N 439.563 1.548 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1723783312 DKWPHFZLCYKLNK-CQSZACIVSA-N 430.534 1.342 30 10 IDEE CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1726800898 WWKVZWUIIOYYSQ-OAQYLSRUSA-N 426.525 1.171 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[C@H]1C 1730387408 LOCYJRGPDVNQKE-FPDPHYFHSA-N 445.545 1.228 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CCO1 1730587157 MDGQVLQHSKCEET-PMACEKPBSA-N 427.505 1.864 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCN(C)C1 1730750030 ICQRFLDBLDRUEL-NFBKMPQASA-N 440.548 1.721 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1730872150 CGNWDLDENYFHQR-MJGOQNOKSA-N 441.536 1.774 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)COC 1730955427 DFQRKFLWDCWUOO-UHOSZYNNSA-N 432.569 1.851 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC2=CCCCC2)C1 1731012629 JUYPQVJMQSKJQE-GOSISDBHSA-N 434.566 1.851 30 10 IDEE CSCCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1731126573 KTKNNTHGSMGEEN-QFPXGYFVSA-N 434.566 1.888 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1740610859 NJGAZGJGOWIGAH-QZTJIDSGSA-N 432.569 1.998 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1740622167 ACJGGZHTIASQQX-QGZVFWFLSA-N 435.594 1.725 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1740684572 VIYGPHFZJWNVKP-KRWDZBQOSA-N 444.536 1.060 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1740774124 MLPLQLVMRFVKSO-HNNXBMFYSA-N 432.612 1.796 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740786385 BKOQLUVQJKKWIS-RBUKOAKNSA-N 432.569 1.264 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740958425 OYCBUMQTYUOIGE-RTBURBONSA-N 431.585 1.038 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740986008 PKANPRZQGGMBND-UHFFFAOYSA-N 447.627 1.253 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1741287845 NFNWBSPNOUGGSV-INIZCTEOSA-N 436.582 1.473 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1742006778 GPRCQWISBJYLNM-UHFFFAOYSA-N 427.505 1.885 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1748756411 LQUKCJGYNCXBGJ-UHFFFAOYSA-N 436.520 1.529 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1748953526 OMURKMLJCHQCGL-HXUWFJFHSA-N 448.365 1.860 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1749401639 BFKYHVLEMWULKR-QZTJIDSGSA-N 441.598 1.829 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1F 1749487390 CIJOXOOOJVNJQN-KRWDZBQOSA-N 439.513 1.429 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1749680980 UZZTXVCNKQQQET-QGZVFWFLSA-N 426.521 1.606 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc(CC)nc2C)C1 1749697734 MZYNSFSWJBRUAY-LSDHHAIUSA-N 438.554 1.577 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1749756560 ZKDHQSIQCZRHCV-INIZCTEOSA-N 449.606 1.216 30 10 IDEE CC(C)Cc1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1\N=CC=CC1=O 1750724227 IRYSMFLDYJZENT-DGIHTPRRSA-N 428.537 1.600 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1752429394 HFZRMSZUYIEKTF-AUUYWEPGSA-N 433.559 1.308 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN(CC)S(C)(=O)=O 1760113654 BACSXXFFVHWXJK-AWEZNQCLSA-N 436.538 1.135 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1760201500 DXPDSOZOJMSEPW-VQIMIIECSA-N 432.484 1.718 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C/C=C\c2ccccc2)CC1 1760254454 XMYDDVCKNLEMAO-IBWPDUFMSA-N 428.562 1.357 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760287629 ZFNBAVVDWUMVTP-YSIASYRMSA-N 446.621 1.485 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCO2)CC1 1760402647 PYYHCOSQSVLJCI-PXNSSMCTSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccccn1 1760523977 MGODGXJKNUHFFG-UHFFFAOYSA-N 447.547 1.786 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1760690684 FOEMMYDFINJTDI-ZDUSSCGKSA-N 434.522 1.569 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1766377054 AOZWMNFDOZRCFK-LJQANCHMSA-N 437.548 1.849 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1767942824 RQSYKSGNHCBHHA-RTBURBONSA-N 441.536 1.459 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1769995494 SOPYDWLXUYZDGI-SJLPKXTDSA-N 439.582 1.957 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1771366518 SQDUVKLQUHMAOE-FQEVSTJZSA-N 430.534 1.373 30 10 IDEE CN1C=N[C@@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccc(F)cc2)C1 1851918332 UEJYAAWUGWEJFE-UYAOXDASSA-N 445.472 1.804 30 10 IDEE N#Cc1ccccc1OC[C@H](CS(=O)(=O)c1ccccc1)OCCN1CCOCC1=O 1852537137 CDPIFFFTBUZKIR-LJQANCHMSA-N 444.509 1.655 30 10 IDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)cc1 1856468050 CWNWDPFGDFBIBZ-HXUWFJFHSA-N 429.542 1.660 30 10 IDEE N#Cc1cc(Br)c(NC(=O)[C@@H](N)CCCNC(=N)N)c(Br)c1 1866116285 YQTYYBNBKRQOAW-JTQLQIEISA-N 432.120 1.612 30 10 IDEE CCCCN(CCO)C(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869927782 AQMGDBLDOQHALX-IBGZPJMESA-N 429.542 1.957 30 10 IDEE COCCOC(=O)c1ccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1873920393 LBOWIGQYWXQTDQ-UHFFFAOYSA-N 444.513 1.673 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1879107925 XFGZGOJRKOENDW-SFHVURJKSA-N 448.369 1.920 30 10 IDEE N#Cc1cccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)c1 1891515259 CPOYZNUBHJZSCN-UHFFFAOYSA-N 427.465 1.180 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1896041104 PELFNKMNKLTZMP-RBSFLKMASA-N 426.514 1.670 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010522166 VDVOGSQDEWOBLH-AUSIDOKSSA-N 428.533 1.842 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H](CO)C1 2018270285 GNFRVSJBEQZROE-PZPWOCDFSA-N 438.525 1.624 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065454768 HFCHUQFLDPHXNF-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE C#CC1CC(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)(C(=O)O)C1 2247537663 DKBJZQYJPZALLT-HRZDDSQGSA-N 429.517 1.995 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255596605 NANANKQEJBDVGF-LLVKDONJSA-N 448.251 1.894 30 10 IDEE CC(C)(C)OC(=O)NC1CC2(C1)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255604576 MDWMUEQRZOXUAF-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619335 OHMMAMJKTRFYTK-UHFFFAOYSA-N 432.290 1.131 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2255633182 XJKLLTFGRYSVGT-ASSNKEHSSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2255817807 BHEQJNHJDJLECG-GJZGRUSLSA-N 436.314 1.536 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(NC(=O)OC(C)(C)C)C1 2255830761 KIIBJESQQPFAPI-UHFFFAOYSA-N 434.346 1.767 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256621417 UTMNAKOIOGXOST-BXUZGUMPSA-N 439.293 1.733 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258225031 GKLICJBJSYVPSF-LLVKDONJSA-N 430.236 1.382 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2259925495 DVFZMIBQEBPSSD-LRTDBIEQSA-N 432.330 1.696 30 10 IDEE Cn1cc(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267505562 KEIFSQPSNGPAEW-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2267555439 NLVQNJGQIIEMGU-OAHLLOKOSA-N 449.357 1.860 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268798373 JXJPPEVAJJGYBN-HSZRJFAPSA-N 446.353 1.974 30 10 IDEE COc1ccc(S(=O)(=O)NN=C(C)c2ccc(NC(=O)C=CC(=O)O)cc2)c(OC)c1 2295644373 JDZGWUGHVVOSRK-UHFFFAOYSA-N 447.469 1.986 30 10 IDEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)N[C@@H](CO)C(=O)O)ccc3C2=O)c1 2297473281 DMQXFVMBLTYXNL-INIZCTEOSA-N 443.408 1.261 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3)n2N)cc1 20805910 BZSNEKISPDLCMN-SRZZPIQSSA-N 425.474 1.955 30 10 IDEE CSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2cccc(C#N)c2)CC3)n1C 33141853 UCTYUEWLSWSQII-UHFFFAOYSA-N 429.531 1.556 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cn2)CC1 60610531 CCESDIWMDKQNDA-UHFFFAOYSA-N 434.548 1.522 30 10 IDEE Cc1cccc(S(=O)(=O)N2C[C@H]3CN(S(=O)(=O)c4ccc(C#N)cc4)C[C@H](C2)O3)c1 107369596 OMKLNKZMBNARDF-QZTJIDSGSA-N 447.538 1.329 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 440377787 JGDARJPMHDBZIB-UHFFFAOYSA-N 432.505 1.947 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 441685694 JIHNUFAHOFXGOW-UHFFFAOYSA-N 434.496 1.516 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nc(C)n(C)c2C(=O)NCCCC)c1 442606210 OZCMZZWGXLOSQN-UHFFFAOYSA-N 433.534 1.975 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(OC3COC3)cc2)CC1 444996764 LQTDYLDGXHCRMM-UHFFFAOYSA-N 442.497 1.874 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)n1 479390561 WSYCCGDGNVFOKB-GOSISDBHSA-N 447.516 1.878 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 481276947 PVJNVMTVWSHILW-ZBFHGGJFSA-N 442.497 1.155 30 10 IDEE Cc1ccncc1N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 500676623 FOGSTHAVZGJRKG-LJQANCHMSA-N 432.484 1.816 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(F)cc2)c1=O 505701255 VPERRNHCDSBSBJ-UHFFFAOYSA-N 425.489 1.108 30 10 IDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OCCC(=O)NC)CC1 508496676 FUCQUBFGBTVZKN-UHFFFAOYSA-N 437.508 1.228 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508811686 UIRHEJIDKUFIAB-AWEZNQCLSA-N 438.492 1.680 30 10 IDEE CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 510441289 FZHLDCFCJNPQNV-UHFFFAOYSA-N 425.454 1.527 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)nnc12 532266568 DAAJXIZGXRECJH-UONOGXRCSA-N 440.529 1.483 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nc(-c3cccc(OC)c3)no2)CC1 541641082 ONWJRWKIBZYHGD-UHFFFAOYSA-N 431.518 1.284 30 10 IDEE CCCN1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 555866403 XSQPNDFWINEVKE-UHFFFAOYSA-N 433.578 1.696 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCc1ccccc1 559004037 KAIUOYBQUSYKNR-LJQANCHMSA-N 449.577 1.840 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 582329338 MHLINFAUFXOHTK-IKGGRYGDSA-N 427.571 1.438 30 10 IDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 585088849 BMVGNERTZJRFKB-FQEVSTJZSA-N 449.509 1.380 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 610377434 WTWGINZDBRNZGC-CYBMUJFWSA-N 440.431 1.634 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 728094333 IDTVZZGDPWRDPS-CYBMUJFWSA-N 442.449 1.357 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732649745 QSVWFIPDRFKHCN-FPOVZHCZSA-N 444.557 1.631 30 10 IDEE C=C(COC(=O)c1cc(I)ccc1-n1cnnn1)C(=O)OCC 734023704 XPNAKLNOCRPFBU-UHFFFAOYSA-N 428.186 1.543 30 10 IDEE Cc1nc(SCC(=O)OCC(=O)NC[C@H]2CN(CC(C)C)CCO2)c(C#N)c(C)c1C 748834502 KTSSMFBRNJUDJU-SFHVURJKSA-N 448.589 1.987 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccccc1CS(=O)(=O)N1CCCC1 754796675 YRJJKIUBRRTHIM-UHFFFAOYSA-N 434.543 1.743 30 10 IDEE C[C@H](OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)Nc1ccccc1C#N 755187999 YJJDAHKWFTXPJA-YOEHRIQHSA-N 444.488 1.944 30 10 IDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC[C@@H]2CCOC2)c1 756021615 CBIYIRMSXREZJG-MODMUFLJSA-N 428.489 1.736 30 10 IDEE CN(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757471480 RFTPVBCHISMXKM-OAQYLSRUSA-N 435.480 1.660 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)Cc1nnn(-c2ccc(C)cc2)c1C 766983072 TWHOPOZRXNBVPS-UHFFFAOYSA-N 425.470 1.812 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 774058174 MKXHDURFLDLCHF-ZBFHGGJFSA-N 427.548 1.418 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 780055515 HHPCDTDVSQZILN-YPKPFQOOSA-N 428.779 1.523 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 787697707 YFOIYJZETXVUNS-LNPZOEOZSA-N 441.553 1.130 30 10 IDEE C=CC[C@@]1(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 790299203 MGTRTTKBRDZMFC-YWZLYKJASA-N 443.566 1.142 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3OC)nc2)c(=O)n1CC 793469626 RZXPJOWWOGLILV-UHFFFAOYSA-N 449.536 1.425 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC3CCCC3)CC2)cn1 801293637 SNJYLKXMQDKAAV-FQEVSTJZSA-N 440.548 1.323 30 10 IDEE C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 802549897 AHMQCLSRMFCZBH-UHFFFAOYSA-N 445.955 1.550 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cccc(Br)c2)N(Cc2cnn(C)n2)C1=O 807934203 DLHHUTMSBUTSAJ-CYBMUJFWSA-N 437.323 1.845 30 10 IDEE NS(=O)(=O)c1ccc(C=NNS(=O)(=O)Cc2ccccc2)cc1Br 807966490 MHVZPXJXUCUDDW-UHFFFAOYSA-N 432.321 1.550 30 10 IDEE C#CC[C@]1(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809802669 DUFCSBWNMNOUEZ-GQIGUUNPSA-N 427.567 1.614 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)ccc2Br)n1C)[C@@H]1CCS(=O)(=O)C1 809821435 MIMDLICCTVKTOH-GFCCVEGCSA-N 439.335 1.880 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 814140564 VRXSYMNXAKRNRD-HZPDHXFCSA-N 432.477 1.779 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 820175128 SSROEWKMLYNZFZ-SFHVURJKSA-N 429.440 1.657 30 10 IDEE C#CCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 918756328 RAMIRYXLMDEIPQ-ZGOJQLDESA-N 437.562 1.162 30 10 IDEE O=C(ON1C(=O)CCC1=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 953096188 UKOQUSJPTKOISU-IRXDYDNUSA-N 443.456 1.386 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)o1 1084274001 JAJBOUOCSUQDNC-UHFFFAOYSA-N 431.438 1.513 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cccc(C#N)c3)n[nH]2)cn1 1084288491 WIEIATKSYNIJJA-UHFFFAOYSA-N 425.478 1.696 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCC4(CCOCC4)CO3)CC2)cc1 1136149367 HWLGXPXVYKDWIV-IBGZPJMESA-N 447.557 1.757 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(CC#N)cc2)c1 1143226495 CRFVIJXHEIYIBF-UHFFFAOYSA-N 442.541 1.829 30 10 IDEE COc1cccc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1150162177 AKSOFBXUKZHFEP-UHFFFAOYSA-N 428.514 1.190 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1=O 1155857221 CZRQYNPWQWFYHN-PEGYKEAPSA-N 427.567 1.380 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCCCC1 1179650714 HXPZBZLYANTDED-TWOQFEAHSA-N 425.551 1.857 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1194060732 VPCXNBQFKQBSLA-UHFFFAOYSA-N 426.560 1.400 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)nc1 1195779511 ZETNQGBEYGXUKC-NHCUHLMSSA-N 426.542 1.702 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)CC1 1200485351 CHIPYFNOMLIVTJ-MUUNZHRXSA-N 440.591 1.351 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 1227327655 BUVHZOXDWCSVJF-XJKSGUPXSA-N 431.345 1.644 30 10 IDEE C=CCC1(O)CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1248619763 DTYAZEGNBHGKHC-MRXNPFEDSA-N 445.582 1.523 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCOCC1 1286282415 NMYHVCGHASTHHY-OAHLLOKOSA-N 427.505 1.702 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286321190 LAWDDIUWHWJJFC-NQIIRXRSSA-N 438.580 1.471 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286397896 VJMVDVVZHJEEIX-WIYYLYMNSA-N 438.594 1.773 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1286400466 GXVMDYSWUDAJRM-QPPBQGQZSA-N 443.592 1.748 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286416411 RFLOWSJSYYJJLV-JOCHJYFZSA-N 436.541 1.353 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1286474153 CNRWALZGMPEODC-OAQYLSRUSA-N 432.931 1.559 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CCOC2)CC1 1286476416 XEXPOPALXDDFDO-FQEVSTJZSA-N 446.349 1.614 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCCC2)CC1 1286489903 HLYMSHGYCGDBGC-GOSISDBHSA-N 436.564 1.433 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1286549068 CZRQYMKKNRXWTH-JXFKEZNVSA-N 427.505 1.880 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286621087 ZPLFWAPVFZILCC-CABCVRRESA-N 447.005 1.774 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286787941 MSDQWEYMEIEYBC-CABCVRRESA-N 443.520 1.354 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)cc1 1300240600 PLIOLGINCARKHP-QGZVFWFLSA-N 432.502 1.144 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1300302417 AEPOCQQAJQGSTH-CQSZACIVSA-N 431.504 1.802 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCC(C)C 1300309464 HGSVZEGQEIWGMF-IAGOWNOFSA-N 427.571 1.132 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300487234 IIYWSXKGPLWRJO-MOPGFXCFSA-N 444.605 1.943 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300503162 AWYIIYGWHOUGMP-DENIHFKCSA-N 446.573 1.739 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(OC)CCOC1 1300671979 RYYXJUXFLZFPLT-SIKLNZKXSA-N 428.489 1.682 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(C)C)CC1 1301043765 CXSYPMSOAAUGDA-MRXNPFEDSA-N 447.005 1.142 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1301120300 NAEGWBJNBVJYIF-DLBZAZTESA-N 438.523 1.988 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301593613 QUNHBFQHLVGXNW-ROUUACIJSA-N 436.582 1.744 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)c1 1302277730 KGMVHNPIKCWYCZ-OAQYLSRUSA-N 436.530 1.419 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1303641945 SVBYYEFEELIYNQ-MJGOQNOKSA-N 440.552 1.996 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)C1 1303940103 SIKGSOIGBJAGCM-MRUHUIDDSA-N 444.561 1.940 30 10 IDEE Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304836623 CGFRYSGTAYRVST-VRTBNJGNSA-N 443.552 1.492 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@@H]2CNS(C)(=O)=O)n(C2CCCC2)c1C 1307976606 UKALRTXBZJTQBJ-KRWDZBQOSA-N 437.566 1.280 30 10 IDEE CCCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1313495476 HYTHKQPJEHAAAZ-UHFFFAOYSA-N 427.557 1.243 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1313987994 FOKQIDODWXGADU-UHFFFAOYSA-N 437.548 1.380 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)C[C@H]1OC 1315733227 ARUDUEIBFHHHAD-ZRNYENFQSA-N 427.505 1.718 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1315812759 NOOSSKCJZCPUID-PWIZWCRZSA-N 428.512 1.958 30 10 IDEE COCCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCS(=O)(=O)C1 1356301247 GCQFNIAZTSMSKM-LBPRGKRZSA-N 431.308 1.362 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358888521 NVRSOBLCCHLVLT-WJFTUGDTSA-N 435.594 1.834 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1358960272 AOQZZLQCQFAQLV-INIZCTEOSA-N 439.545 1.409 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1359024463 NQRLZLOXRSXIGO-HXUWFJFHSA-N 446.573 1.851 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359059704 WVMUUABLGNGQRS-UHFFFAOYSA-N 425.605 1.378 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cc[nH]n1 1359262871 HZTXLMPVNDDTIZ-OAHLLOKOSA-N 440.533 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1359329978 BJVCSCOTOJPFII-INIZCTEOSA-N 435.525 1.206 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1359632572 KHKNTXOOUHAVML-VQIMIIECSA-N 440.504 1.682 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1360475824 DYIQZORRVUNVSU-PBHICJAKSA-N 446.533 1.450 30 10 IDEE CC1=C(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@H](C)n2nnnc2N1C 1441632038 RAMAUJZGJOTXDY-ACIHENLCSA-N 444.521 1.409 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@H]2c2cccc(C)c2)s1 1453968010 GXEZMSRAVAJUOA-LJQANCHMSA-N 433.555 1.763 30 10 IDEE COC(=O)[C@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1460689466 INYUPZSBOUCZPD-QFIPXVFZSA-N 426.473 1.523 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(I)s1 1462879617 YTZSQZALWZDXQX-VIFPVBQESA-N 445.325 1.164 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)C1=O 1463604049 HGMZKRIEXRLAKX-OAHLLOKOSA-N 433.527 1.385 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)C2=O)cc1 1470032387 HIOOAOFZISOALZ-VQTJNVASSA-N 438.509 1.628 30 10 IDEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CCOCC2)cc1 1471090055 QRRYOFSQUPEUPI-UHFFFAOYSA-N 441.509 1.689 30 10 IDEE C=CCN1CC[C@H](N2CCNC(=O)[C@H]2c2ccc(I)cc2)C1=O 1473853746 JOJVZAMRUFMDBR-LSDHHAIUSA-N 425.270 1.551 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)CC1 1479219269 WNDKTNDFSNVKGH-UHFFFAOYSA-N 439.847 1.049 30 10 IDEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@]1(O)CCN(C)C1 1503065435 GRWUCHICYDQMTC-QHCPKHFHSA-N 440.548 1.801 30 10 IDEE Cn1nccc1CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)C1CC1 1503687294 JELGCNURIOAOPC-UHFFFAOYSA-N 425.518 1.764 30 10 IDEE COc1ccc(COCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504285097 WKTOTDITTVUMHB-IBGZPJMESA-N 440.504 1.468 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1507531815 DIRAGCVYHZQIPM-CVEARBPZSA-N 435.532 1.955 30 10 IDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507555774 BLKBRHRMJNPNSF-IBGZPJMESA-N 448.568 1.380 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1507715554 CVJGUAAKNRSCQJ-RTBURBONSA-N 437.548 1.886 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCSC2)CC1 1507724692 VOZKBQVDRZSKHA-QFIPXVFZSA-N 427.574 1.501 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507726108 FFDZFWAEHPQGCX-VGSWGCGISA-N 442.589 1.576 30 10 IDEE C#CCSCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1507758273 KLCVNRVWIYLUAZ-SFHVURJKSA-N 447.527 1.981 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507796805 JYGDLCVLOLIMTA-ICSRJNTNSA-N 446.596 1.631 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)NC 1507998300 DXIANXDIUNQOOM-GOSISDBHSA-N 430.534 1.395 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1508072716 ROKBXIORURMNIQ-HUUCEWRRSA-N 449.556 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1508139013 BULMVEPMUQKRHK-ZDUSSCGKSA-N 434.444 1.047 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1512574361 BRWXJRNTNZHTBA-VFNWGFHPSA-N 445.545 1.370 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1516836415 RRNPUBKWAHXVBG-UHFFFAOYSA-N 444.561 1.905 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517471477 YPCUKAGBCHEQAY-RLBWVDARSA-N 443.552 1.356 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(C#N)c(Cl)n4)CC3)C2=O)n(C)n1 1522239980 WZTAYWLLXPAVJN-QGZVFWFLSA-N 441.923 1.602 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)C2)nc1 1523932721 GHNAGOUEOUGCSE-UXHICEINSA-N 436.468 1.971 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1533234952 UDZIDZXQOIYNDJ-IBGZPJMESA-N 442.541 1.891 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1539170937 DFDMONFRELEHSU-UHFFFAOYSA-N 449.559 1.857 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539219225 HDOOZZGHWAKZPD-SFHVURJKSA-N 444.561 1.609 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1539226494 ZGAYIRPVDZFFLI-MRXNPFEDSA-N 431.543 1.902 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncccc2N(C)C)CC1 1539428187 NRPOJQVHINDSLT-UHFFFAOYSA-N 445.531 1.190 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539429635 BSLJSLOLSNLUAN-IRXDYDNUSA-N 428.503 1.810 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1539461926 MZGMXMAOPAUWLO-IBGZPJMESA-N 444.605 1.705 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOCC1 1539510634 KPPAXHKBKOIJCF-UHFFFAOYSA-N 432.550 1.141 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](CC)C1 1539614552 AHBVDKJOFNXLDU-JCECYMMASA-N 441.598 1.873 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539629840 YNXABUMPZZPTJJ-LNLFQRSKSA-N 446.577 1.839 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1540019542 BCDFIAWULRBOHB-GVDBMIGSSA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1540862014 OIZKSZYNRVSTQD-RDJZCZTQSA-N 444.561 1.844 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1540863378 VOKVNRDJXDBBNB-HUUCEWRRSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1540872541 RZLXAIBBPNCMTM-UHFFFAOYSA-N 438.511 1.370 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)NC)C1 1540889581 PLRNMRJDVZOLQD-MRXNPFEDSA-N 444.561 1.767 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(F)c1 1540901725 NHVNKIRFWCXBBD-MRXNPFEDSA-N 439.488 1.745 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1541132585 GGZPDJBKSDVDAK-INIZCTEOSA-N 425.493 1.437 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(F)(F)Br 1541920915 HCLGNSUEYBPZRG-SECBINFHSA-N 441.302 1.616 30 10 IDEE CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1543125224 ZTGWRYMNVPKQHH-XVBFSASHSA-N 446.554 1.736 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1544787639 UPDWCDDXJPCAER-UHFFFAOYSA-N 432.296 1.228 30 10 IDEE CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1548245196 CLAKWAMLDFBIFE-AWEZNQCLSA-N 446.533 1.142 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1555794158 JILKQYWRJPHGFU-JKSUJKDBSA-N 432.506 1.146 30 10 IDEE COC[C@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@H]1CCCOC1 1565361472 SSPJKLWGLCZMRT-JXFKEZNVSA-N 426.521 2.000 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1583661852 OYKXWATZXSMQSI-ZDUSSCGKSA-N 429.336 1.738 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1587620420 DSCVVPVFGAYTSK-GOSISDBHSA-N 449.559 1.762 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)Cc1ccon1 1587657495 TUEWWZRXAJWFMX-CYBMUJFWSA-N 449.562 1.199 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1588218720 AXQQXGMUPCZEOY-MWTRTKDXSA-N 432.484 1.597 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1588646421 JTKYCEFHBUXUJM-LJQANCHMSA-N 447.561 1.054 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588967836 BRNSBMDSZNQAAH-IPMKNSEASA-N 431.537 1.147 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1589547886 WSHZJCIXFMGFME-LMMKCTJWSA-N 430.553 1.931 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1593746861 OVMKYAZANFYEEM-SFHVURJKSA-N 437.610 1.838 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1593884134 CNWDUAQUBQRTNA-GFCCVEGCSA-N 425.889 1.599 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1594202432 PQIKPZJKNUUQDM-NRFANRHFSA-N 429.525 1.486 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1596781273 AGEICDAVHMRTLX-CABCVRRESA-N 448.549 1.694 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1617221394 WCCJBJFAUWOUPC-QHCPKHFHSA-N 439.564 1.042 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cc(Br)no3)C2=O)cc1 1624420858 ULHQHARRCYKPOL-ZDUSSCGKSA-N 432.234 1.830 30 10 IDEE CCOC(Cn1ncc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1N)OCC 1626694614 FKVFEUGNARQQSC-GOSISDBHSA-N 440.504 1.267 30 10 IDEE Cn1cc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c2ncon2)cn1 1628632020 DZAQTWDTZCKPDL-PXAZEXFGSA-N 425.836 1.587 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1630175632 RCRBIGMPOAYWHT-UHFFFAOYSA-N 441.481 1.225 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(CN(C)C)CC1 1630938593 AHOWFJLMWIILIH-QGZVFWFLSA-N 436.578 1.055 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)CC1 1632966399 PEUSIPKFUAKHRC-UHFFFAOYSA-N 442.379 1.630 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC2)c1C#N 1633055784 JKOXSXZYUXYCOR-UHFFFAOYSA-N 436.303 1.381 30 10 IDEE CN(C)CC#CCNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1639133761 JIDOPYUNOHJWTA-IRXDYDNUSA-N 428.430 1.937 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc2C1=O 1642901585 QLCJPSOISNBGDL-HNNXBMFYSA-N 431.489 1.768 30 10 IDEE Cc1ccc(C(=O)N[C@](C)(CO)Cn2cnc3ccccc32)cc1S(=O)(=O)NCC#N 1647942834 SWNUAOJCNUEXSU-NRFANRHFSA-N 441.513 1.328 30 10 IDEE C=CCN(C)CCN(CC)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1653457283 PYUAPZDZZCHGAB-HXUWFJFHSA-N 436.622 1.656 30 10 IDEE CNS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 1653757697 ABVJUAVJAKFADC-UHFFFAOYSA-N 436.582 1.502 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 1653868282 MVVFKXDGTQRDAE-LJQANCHMSA-N 432.546 1.642 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(NC3CCOCC3)CC2)CC1 1654774140 CZQHMARFQFSQRF-HSZRJFAPSA-N 443.567 1.768 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@H]2C2CC2)CC1 1660356824 AVGJVAKCJGUCBS-RTWAWAEBSA-N 448.564 1.434 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N[C@H](CO)c1ccccc1I 1670882330 LADVSJKUBSSZHB-CYBMUJFWSA-N 438.287 1.225 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N(CCN2CCOCC2)Cc2ccco2)C1 1686055204 HENKQHZKZLSICE-PKOBYXMFSA-N 447.536 1.882 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCC 1690013268 IQELXXOTHPLWJO-NRFANRHFSA-N 428.562 1.862 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(O)CCc3ccccc32)CC1 1690112410 XIZRLDWHDINFOY-NTKDMRAZSA-N 439.560 1.591 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cccc(F)c2)CC1 1690112489 YWEJYGLECRYMDV-QGZVFWFLSA-N 448.568 1.415 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCCC2)CC1 1690136718 IREATHJJBZEITB-UHFFFAOYSA-N 443.596 1.258 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccn1 1690236724 QHESIHNEQRZITJ-RYRKJORJSA-N 434.566 1.901 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690345707 BCDZKDJOCMPLPQ-KDOFPFPSSA-N 440.957 1.418 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690507566 PLHGAQWENWSXLF-MRXNPFEDSA-N 425.555 1.225 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690663845 FZYVMCJTGSCATP-UHFFFAOYSA-N 441.536 1.877 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690669029 RBCNQWBJQVYRFK-LJQANCHMSA-N 436.520 1.745 30 10 IDEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1690680289 NVACIIFURUNYRP-OAQYLSRUSA-N 448.527 1.828 30 10 IDEE CC(C)(C)Oc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cn1 1691284156 CZEIYWNJDHLGGX-KRWDZBQOSA-N 439.520 1.863 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@H]1C 1692218608 IARWFCXXHMXWGK-LJQANCHMSA-N 438.580 1.791 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1692521327 LPRPVXDQKHIQGG-MRXNPFEDSA-N 442.520 1.951 30 10 IDEE CCS(=O)(=O)NCCCn1c(C(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1696494294 DZXQGLIMZLHXJY-UHFFFAOYSA-N 445.593 1.929 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1696675852 ANCCLWPMINHGOS-GOSISDBHSA-N 444.561 1.919 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1696701597 WIPNPOXLHREJBU-SFHVURJKSA-N 430.472 1.836 30 10 IDEE CO[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697118994 GHXYXYRICRGVPG-SJORKVTESA-N 433.520 1.676 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1705474776 LYQWXCWUEKVDOI-INIZCTEOSA-N 447.499 1.822 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705640799 GSXOHTCHVCDVKF-UHFFFAOYSA-N 443.555 1.817 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2(=O)=O)CC1 1705763524 XGAIFFVULDJZGA-HUUCEWRRSA-N 431.584 1.012 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1705819520 NNBUJYJJFRFJDC-SFHVURJKSA-N 441.598 1.566 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705902479 FTAKHOBIFMEHGE-OPAMFIHVSA-N 429.496 1.711 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 1705903271 RZGKAOIFWMVLFW-KRWDZBQOSA-N 446.577 1.055 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1 1705934846 YSOUWWHKKFKGOA-CQSZACIVSA-N 425.555 1.224 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1=O 1706507110 GGFRFEXAQUPAAJ-FQEVSTJZSA-N 438.532 1.927 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)N(C)C 1706808233 DZZUCHZSMMGSHX-HOTGVXAUSA-N 434.566 1.548 30 10 IDEE Cc1cccc(CN2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 1707617651 YCYQYMLRKOVQRH-QURGRASLSA-N 435.532 1.744 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708473508 BGQIOFIZPHDGGL-HUEFEVLASA-N 427.509 1.177 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1712648767 ZNPMNUFEFBCCCM-VJANTYMQSA-N 435.525 1.317 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1722306998 XVVIOWMMOHCKSR-MELADBBJSA-N 440.495 1.888 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722335145 BMTJKNNPIYKBPK-INIZCTEOSA-N 425.493 1.338 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCN(CC)CC1 1722378356 NZBVJFZBOKHEKU-LJQANCHMSA-N 434.544 1.773 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)nc1OC 1722418798 DEGSWDBANDYCQV-UHFFFAOYSA-N 428.493 1.061 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccccc2C)CC1 1722430581 FSIRUFINIUDMAI-SFHVURJKSA-N 446.577 1.031 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1722442063 WRDKEJAQQXJJQO-YKSBVNFPSA-N 439.560 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722447286 HFFOSDOHQCNXFQ-UYAOXDASSA-N 442.564 1.006 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722532624 RSDVAALPGJQWKF-GOSISDBHSA-N 443.552 1.749 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722554741 HDQYNJYKVCRFIW-HUUCEWRRSA-N 427.958 1.524 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722697187 XDVVZXJFGZGTGZ-MJGOQNOKSA-N 427.553 1.133 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1722701814 FSCBMPHRLVXGKF-UHFFFAOYSA-N 441.536 1.319 30 10 IDEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1722704522 JOEFVAUWZXLXJE-NRFANRHFSA-N 448.527 1.828 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@](C)(C#N)C1 1722725942 UXGSFEIMJCDOFR-FQEVSTJZSA-N 436.582 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722728410 VRRABSPHYLPGGZ-HXUWFJFHSA-N 445.589 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1722731272 IRSKDAQTHCZOAP-UHFFFAOYSA-N 447.627 1.037 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722737637 NMMQREOZUSZHEO-KRWDZBQOSA-N 429.550 1.482 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1729338866 HBDBGELWJZVDDX-PMACEKPBSA-N 437.548 1.642 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730974535 IPPSKFGJJSISNK-ITZAQCPESA-N 426.452 1.836 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC1CCCCC1 1740678464 MVFZTHGVUNRQIQ-UHFFFAOYSA-N 430.553 1.439 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740699570 LVMLNHJBTLOLNF-VQTJNVASSA-N 445.951 1.806 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740726944 UOJJTZJVGDDSIV-NHCUHLMSSA-N 425.514 1.358 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740852727 RBYXDPGUBHMJHW-VGOFRKELSA-N 435.569 1.872 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C[C@@H]1CCOC1 1740950664 CDAUUHCCPKBJJI-KRWDZBQOSA-N 426.521 1.922 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)C1 1741983143 GXIXNMUYSBGMFO-OLMNPRSZSA-N 425.580 1.178 30 10 IDEE C[C@@H]1CSCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1743372550 QQNYJWYKSAIHBX-MVZUJROASA-N 439.545 1.732 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748817098 FDEAQDVPVXXRAY-KRWDZBQOSA-N 432.546 1.727 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1748864120 QHECMKAIQFJCCV-ZBFHGGJFSA-N 434.591 1.920 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1748929826 QFZJXUTZGFFJAJ-GOSISDBHSA-N 435.525 1.452 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749024409 PNHKVCPBOKEVGB-INIZCTEOSA-N 443.529 1.970 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749133811 QKJLOPCMQOBHJO-CUWPLCDZSA-N 443.523 1.940 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749361949 SCZBBQXJARKJGM-RBUKOAKNSA-N 442.495 1.629 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCO1 1749575760 CLPOUOQTMZLEFF-DENIHFKCSA-N 443.504 1.386 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](F)COC)C1 1749701464 UPNZFDSWLFKSMF-AEFFLSMTSA-N 428.472 1.687 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1751018412 UAENRZIUTARDSA-JOCHJYFZSA-N 446.552 1.308 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760189425 UHCHHOCLIJMXMP-WDSOQIARSA-N 435.594 1.629 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OCCOC)CC1 1760259788 QCHWFKCXBZVMHT-FQEVSTJZSA-N 440.548 1.743 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1760274819 NRTPNOGAJIMIIJ-INIZCTEOSA-N 433.603 1.860 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760275775 IIIFZQICSZRNIC-SFHVURJKSA-N 444.586 1.701 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760355137 ZTCYWRZVFOBJBH-IBGZPJMESA-N 427.553 1.609 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760516915 XXZMGKDMIGPNGH-KKSFZXQISA-N 437.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760517498 OAEIEABIHTXFRN-HUUCEWRRSA-N 449.414 1.963 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760524135 PXLMEBGOVABOMJ-ROUUACIJSA-N 429.525 1.232 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCn2c(O)nc3ccccc32)C1 1760534817 GRYKIOFWJNELCB-INIZCTEOSA-N 439.520 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1760550657 FTPUIZZWYCAZNS-UHFFFAOYSA-N 448.549 1.016 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)[C@@H](C)C1=O 1761120885 FCOMAIQYPGNCJJ-KRWDZBQOSA-N 433.520 1.802 30 10 IDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1762177954 CXJMUHYBABAWAJ-SFHVURJKSA-N 435.488 1.873 30 10 IDEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1765010839 VXVMUBZXVKOUHD-WOJBJXKFSA-N 440.548 1.909 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1765589327 HUWHXAJPVJKZKZ-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE CN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1766975496 VJNQDLHNWFPJBC-OAHLLOKOSA-N 448.549 1.545 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1767494677 ADDHXUWUCWAUBU-GIOCKLRGSA-N 448.499 1.251 30 10 IDEE CN(C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1768417307 BPGCRDLVRYKKTP-OAQYLSRUSA-N 431.516 1.747 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1771241526 ROPYUCIELAJDGE-PCCBWWKXSA-N 441.532 1.988 30 10 IDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(C)C)[C@@H]1CCN(C)C1=O 1849208123 NVJJOWYTJRJZCB-CVEARBPZSA-N 429.489 1.513 30 10 IDEE Cc1ccc(-c2noc(C3=NN(CC(=O)NCC#Cc4cccnc4)C(=O)CC3)n2)cc1 1850726860 VYDFMZBOKPUWNK-UHFFFAOYSA-N 428.452 1.934 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c2ccccc21 1851139653 OWFBOLBJMUDNHG-UHFFFAOYSA-N 438.463 1.878 30 10 IDEE C=C[C@@H]1CCCCN1[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855411568 HSBBCOONIOFAMD-NVXWUHKLSA-N 431.514 1.389 30 10 IDEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1 1858664551 JZLYLEFMFFUXSI-SFHVURJKSA-N 428.470 1.864 30 10 IDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 1861512537 FNXMAYFBMYFCGQ-DYESRHJHSA-N 447.491 1.982 30 10 IDEE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccccc1C#N 1867191383 REFRUSJBLRTCSU-GOSISDBHSA-N 448.435 1.909 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1868824044 VGLWMINKUMRIQN-ICSRJNTNSA-N 434.558 1.835 30 10 IDEE O=C([C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCOCC1 1869927926 IGLKGBIDBZTFST-SFHVURJKSA-N 445.566 1.886 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873561126 GKFKAJSWARSJPB-IAGOWNOFSA-N 431.537 1.966 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)CC1 1889564986 DCBSQBXZUBAPOH-UHFFFAOYSA-N 440.544 1.243 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)CC1 1889612143 JOPDUYVJGOYMEO-UHFFFAOYSA-N 437.581 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NCB1OC(C)(C)C(C)(C)O1 1985102448 HGSMDJYJHOKEQN-CYBMUJFWSA-N 432.348 1.158 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2054371476 KMFHMEDQYYMZEU-AWEZNQCLSA-N 438.388 1.852 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065454991 KJRPSHXXGMDQHE-PBHICJAKSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2085300238 IWTIPMUBDZXUFX-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128735154 VUHIHJQDFPYQDX-ZWKOTPCHSA-N 446.353 1.972 30 10 IDEE C=C(C)CN(CC)C(=O)CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195347955 ADICJSCNOVUCGZ-QGZVFWFLSA-N 440.518 1.596 30 10 IDEE C#CCCN1CCC[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2204035520 BPTQOQBDMGNOAG-GOSISDBHSA-N 431.558 1.860 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255610405 NNGMTWSIJPZWSW-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2255695703 JKOUQFLMYSOXBE-QLPKVWCKSA-N 429.326 1.976 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H](OCc3ccccc3)C2)n1 2255933321 NNKBONLGTKLSCL-QGZVFWFLSA-N 447.366 1.699 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)cc1B1OC(C)(C)C(C)(C)O1 2267130115 KFXWKERJXMYKKR-HNNXBMFYSA-N 446.357 1.991 30 10 IDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267510301 JIPAMHIFIHSBCD-GJZGRUSLSA-N 446.357 1.657 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO[C@H]1C2 2267556257 DAQJESJZRMQJDQ-VVBPWWLESA-N 447.341 1.868 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267603708 AYSUUHARIMFLBM-KBPBESRZSA-N 449.361 1.347 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880945 DYPWRBMVLKMYBM-RRFJBIMHSA-N 444.341 1.761 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C=CCN1C(=O)OC(C)(C)C 2315610221 CEWJZMRZTOQQPO-CQSZACIVSA-N 432.330 1.625 30 10 IDEE CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)cc4)CC3)ccc21 65075822 RUXUTJBZAIOSAY-UHFFFAOYSA-N 440.481 1.633 30 10 IDEE COc1cccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72444306 RWHMGNISZFMFHK-CVEARBPZSA-N 437.456 1.346 30 10 IDEE CN1CCN(Cc2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 410391033 GPMXTBNAGJSCIL-UHFFFAOYSA-N 433.560 1.732 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 460792725 JEMOEERBOYCDTF-IBGZPJMESA-N 447.561 1.843 30 10 IDEE COc1ccnc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CC2)n1 480967287 DPGHLDDIBTUQGH-AWEZNQCLSA-N 430.490 1.525 30 10 IDEE CNC(=O)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 484855422 YCGGFFWYFMRKMX-RTBURBONSA-N 433.468 1.757 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CNC(=O)c2cccnc2)CC1 503284108 PMCSWIRQAQBKCA-SFHVURJKSA-N 442.317 1.983 30 10 IDEE Cc1ccc(NC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 507789572 UGITWNZDUQUNJC-UHFFFAOYSA-N 428.514 1.996 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 508797563 ZZPLJNPGYCOPBT-NRFANRHFSA-N 437.592 1.934 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508924881 ZFWFCMMICUMMQM-LJQANCHMSA-N 443.573 1.566 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cc1F 521839291 YBPPBSHEOZRVIR-UHFFFAOYSA-N 444.491 2.000 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccccc1C 540695936 DADCPNIFHJYMJZ-UHFFFAOYSA-N 448.548 1.949 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 580786546 KZYFISCTMMOODW-MRXNPFEDSA-N 449.519 1.899 30 10 IDEE CCN(CC)CCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586863431 MQDPWJCKDILGED-UHFFFAOYSA-N 445.539 1.400 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)cc1C 730143978 XXFKHNGNBHRUCF-SFHVURJKSA-N 447.605 1.827 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cscn2)cn1 730144863 SPHQOLMYARBROM-HNNXBMFYSA-N 435.579 1.559 30 10 IDEE N#C[C@@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NCc1ccccc1 732495136 RDWBDZMBTJPBFN-FPOVZHCZSA-N 430.464 1.487 30 10 IDEE N#C[C@H]1CN(C(=O)CCCCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 732649351 SWGTYDWJTLMQJO-SFTDATJTSA-N 426.565 1.334 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC 751022049 ZKZHIFSKNMYOSZ-LBPRGKRZSA-N 439.433 1.303 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCc2cnc(C3CC3)nc2)C1=O 755562915 OKENNVPKGFBMIA-JJEKXKKKSA-N 438.557 1.970 30 10 IDEE N#Cc1ccc(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 764750363 GHDDSBWRUFKPNB-UHFFFAOYSA-N 449.510 1.227 30 10 IDEE COc1c(S(=O)(=O)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c(C)nn1C 778849449 XLWNRWHSXWFPLJ-UHFFFAOYSA-N 427.442 1.915 30 10 IDEE CC[C@H](NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)c1ccccc1OCC(=O)NC 788067554 GQLIPARVUIRQMX-SFHVURJKSA-N 438.484 1.575 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1N1CCN(CC)CC1)c1cc[nH]n1 789946480 KZORKJGABBCCSX-UHFFFAOYSA-N 428.493 1.474 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 809893727 SSBAGWCPUCFAHT-RDJZCZTQSA-N 434.541 1.830 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 916179368 XPMNXHGYFPMZEF-INIZCTEOSA-N 441.465 1.329 30 10 IDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCSCc1ccccc1C#N 1135827834 ILWHVKBZOBNMMD-CXAGYDPISA-N 439.584 1.697 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(CNC(=O)OC(C)(C)C)n(C)c2C)CC1 1136632853 POCGQXUQUHNQJN-UHFFFAOYSA-N 445.564 1.256 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1140678734 IADJYRSCBLZYPA-GJZGRUSLSA-N 445.463 1.634 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(Nc3ccccc3C#N)CC2)[C@H]1c1ccnn1C 1149437752 GQYCPQCNFFQOPI-YADHBBJMSA-N 436.516 1.683 30 10 IDEE COC(=O)[C@H](CC1OCCO1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1152697372 YEOQPAFWUVGGMV-AWEZNQCLSA-N 438.278 1.178 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC 1170815230 JLEQIPNLUBHSAY-CABCVRRESA-N 432.539 1.425 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)CC1 1175515057 PVYRYFKZSCHAGL-UHFFFAOYSA-N 444.557 1.141 30 10 IDEE CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1197337567 HFFXTGJOEISERV-UHFFFAOYSA-N 436.353 1.271 30 10 IDEE N#Cc1nc(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1Br 1219696694 HEFCFSSEZWBMSF-LLVKDONJSA-N 428.312 1.748 30 10 IDEE C#C[C@H](NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1CCCO1 1234625673 HIUBVBUSYZMGFR-FCHUYYIVSA-N 426.561 1.838 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286344219 GGDKEDHMVOHTTR-GOSISDBHSA-N 433.520 1.687 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286387821 IPCBLVSZHWWZGH-SFHVURJKSA-N 447.561 1.196 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286389083 FNJNAYUUEWLBFY-MRXNPFEDSA-N 437.566 1.649 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1286390647 DDUAXGQFHRVKFB-HXUWFJFHSA-N 427.574 1.972 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCC(O)CC1 1286437986 QBBITKJDUUHORO-UHFFFAOYSA-N 445.589 1.655 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C 1286468986 BYJFJZCDCBOSLL-IAGOWNOFSA-N 441.598 1.174 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(C)(C)O)CC1 1286488949 ZHRCOBMSHCPRRM-JOCHJYFZSA-N 433.553 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCc2nc(C)no2)CC1 1286491081 DRUDUOOGFLLMMO-UHFFFAOYSA-N 448.531 1.554 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCOC1 1286765994 LQQNYZYHXYNHTC-HXUWFJFHSA-N 436.534 1.139 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286781650 WIVUHXAWIVVHPA-HOTGVXAUSA-N 441.536 1.867 30 10 IDEE Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290769233 ILHKSDFMBBWLAJ-ZPICJPFVSA-N 442.442 1.643 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)s1 1295212715 RETTZDHUWJPDNH-UHFFFAOYSA-N 442.607 1.844 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C2CC2)c1 1300332782 NVPSKWLWKCYGQP-UZLBHIALSA-N 449.559 1.768 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300487640 KPZIZXCPKQFLAP-UTKZUKDTSA-N 431.562 1.725 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1cccn1 1300535845 PCAWYRBJDKERLW-UHFFFAOYSA-N 429.532 1.812 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300996289 BUVWZNDBXSHMPP-UHFFFAOYSA-N 425.537 1.644 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(c2ncccn2)CC1 1301515475 VHQGPWZETAMXMH-UHFFFAOYSA-N 448.531 1.584 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1302474440 AOXBUAUJUMWHKK-UHFFFAOYSA-N 442.545 1.635 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1302617518 GCXSMNLBYRKRNA-UHFFFAOYSA-N 431.493 1.668 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCCCCCO)cc1 1302991363 GHJZZFHIOUZDME-QUCCMNQESA-N 438.532 1.996 30 10 IDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1303901550 VVVMXURRSFVYLG-HOTGVXAUSA-N 425.580 1.417 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316540365 UONWPTWKZIDXJV-UHOSZYNNSA-N 442.495 1.732 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2)NC(=O)NC1=O 1338413629 UNIRXRYYEYNXHA-QHCPKHFHSA-N 447.499 1.476 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1358890553 QZHFJUMMFDEDNK-ZBFHGGJFSA-N 436.559 1.090 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1358960887 NMCFRXFRPSZQTE-QGZVFWFLSA-N 440.529 1.874 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1358962406 PEQOECDCVKODOB-VQTJNVASSA-N 444.557 1.339 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1358969954 ATRYMLQUWZLTQA-VWLOTQADSA-N 449.555 1.888 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccs2)CC1 1359035858 GVHHVIISIHPHHC-QGZVFWFLSA-N 447.630 1.975 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1359216363 VHRKNEBKOWLHEQ-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1359281191 RLVLQPHUXTUKIT-MRXNPFEDSA-N 440.504 1.246 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1359321109 AFRAXXAOAGBALN-QZTJIDSGSA-N 447.561 1.520 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1359330285 NFGGUKXQFKZTJW-UHFFFAOYSA-N 440.533 1.058 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)[C@H](C)C1=O 1360018227 NTIJLNHBFVSZMP-MZNJEOGPSA-N 449.559 1.988 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCOCCCO 1360250410 CHJASBUIMNNDMZ-IBGZPJMESA-N 442.520 1.265 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2cccnc2N2CCC[C@@H]2C1 1454939785 GECLTYYTAIEUJF-MAUKXSAKSA-N 425.514 1.631 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)COc3ccc(C#N)cc3OC)CC2)cc1 1455255501 AFASNZMKGLGBCL-UHFFFAOYSA-N 444.513 1.203 30 10 IDEE C#CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1455815205 YLYRBSNICTYMHD-UHFFFAOYSA-N 427.567 1.519 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1457194936 SRLVJKHMDKSJGX-OKILXGFUSA-N 436.534 1.677 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 1460025339 DNSPEUJFXAVMHJ-UHFFFAOYSA-N 435.502 1.399 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3nc(S(C)(=O)=O)ccc3Cl)CC2)c1C#N 1460654185 YHEXMGBXBUKOIV-UHFFFAOYSA-N 425.923 1.738 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1463926792 LZVSMQKORACEKU-GWCFXTLKSA-N 426.463 1.529 30 10 IDEE CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1468395465 JKBUWXYHYVLAKP-UHFFFAOYSA-N 425.463 1.043 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1468538709 NWEZZUTYTBZIQX-UHFFFAOYSA-N 442.382 1.649 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)C1 1475667841 WJKPEOXOSDDQCN-MRXNPFEDSA-N 431.480 1.674 30 10 IDEE C[C@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)CCO2 1494665999 IJUVCTNNJXXZAJ-VGSWGCGISA-N 427.505 1.600 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1503293042 ZUVGYVYSIAQXGU-ZVTLBMPISA-N 426.546 1.548 30 10 IDEE CNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503816610 CFEMIBMWNGQTKT-UHFFFAOYSA-N 438.517 1.305 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1505314505 FHLCHQRBDHESHS-XLIONFOSSA-N 448.524 1.940 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1507629741 PBYXIEMJUPCPHH-OAHLLOKOSA-N 436.335 1.875 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1507632591 NVTRRUGGPZWFNF-RTBURBONSA-N 449.621 1.531 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 1507722532 ZGXYWAVWZJRTCU-AABGKKOBSA-N 442.587 1.893 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@](=O)CC)CC1 1507724664 UTPVGXZWTCVHMK-SSEXGKCCSA-N 425.562 1.040 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC)CC1 1507752356 VVHXEYSMBIRIOK-UHFFFAOYSA-N 446.533 1.651 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1507805322 MSZOECUVAPSDMU-BQFCYCMXSA-N 439.520 1.608 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507942290 CGHMWULFHLSQQA-INIZCTEOSA-N 447.565 1.212 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCO[C@@H]1C 1508039674 PGGKBVLFVQOLDT-GTCCEBARSA-N 430.505 1.969 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCc2ccccc21 1513407904 FTCZTSRMCAQFHU-WZONZLPQSA-N 438.532 1.759 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1517105491 JMPSIEOEUJVCBY-UHFFFAOYSA-N 442.501 1.558 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1539147532 BEKYYSMXDIIRON-JKSUJKDBSA-N 434.541 1.623 30 10 IDEE C#CCSCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1539530759 MVWCMYCXZHQQOO-FGZHOGPDSA-N 449.621 1.598 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1540200557 CQWIMGCHBOMIFW-MJGOQNOKSA-N 437.610 1.836 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1540873225 RJPLUWLQHMJSMV-QGZVFWFLSA-N 430.578 1.974 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540907795 ISVLOQASDRLQKY-FQEVSTJZSA-N 433.582 1.821 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1542600570 UPZFPEXIBOAXNS-QZTJIDSGSA-N 431.558 1.942 30 10 IDEE CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554602007 LIVLFWJOBVRYNJ-LULLPPNCSA-N 429.546 1.959 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1555500309 WBNZEEHITHYFNC-GHTZIAJQSA-N 440.548 1.922 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCSCCCO)cc1 1555991663 ZAPPPZHRGAXAJS-HDICACEKSA-N 431.518 1.406 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1556457494 HLWXUGCUBYCXKW-DLBZAZTESA-N 445.582 1.192 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1CCN(C(N)=O)C1 1556521540 DAPBHWDYRPAXLP-QAPCUYQASA-N 427.505 1.909 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(n2cc(N(C)C)cn2)CC1 1556785018 LAIVJBTVKKZEOV-HNNXBMFYSA-N 430.534 1.351 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(Cc4ccc(C#N)cc4[N+](=O)[O-])CC3)C2=O)n(C)n1 1559742163 FNNDXHZUYKCJMV-IBGZPJMESA-N 437.504 1.822 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCCc4c(C#N)cccc43)C2=O)cc1 1559970011 YJJNPTPSNCBKEP-HSZRJFAPSA-N 433.468 1.818 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc[nH]n1 1567596619 NILROHYQGICSIP-GOSISDBHSA-N 443.504 1.101 30 10 IDEE CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1583252416 GDCAITNOZYGVNP-QBNCKDSPSA-N 429.473 1.678 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)COC)CC1 1587823163 LAHMZVSHTGKGEF-UHFFFAOYSA-N 445.545 1.057 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588035322 RNPDRKUHTRAQKA-FIKGOQFSSA-N 436.578 1.603 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588214216 MNAUUGKLKBXNPI-IBGZPJMESA-N 442.527 1.866 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1588628467 JHHWVDYOGWQLSP-MRXNPFEDSA-N 427.530 1.947 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1588694775 CSCADFKWOCPUIK-QZTJIDSGSA-N 447.580 1.565 30 10 IDEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1593683097 HJQFSLQVTFNAQE-VGOFRKELSA-N 432.569 1.295 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccco1 1594896216 UQECNPKRBOTKMP-UHFFFAOYSA-N 429.502 1.994 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1595133169 CPWNFOYBLWCILR-JOCHJYFZSA-N 429.496 1.884 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)OC)CC1 1595507203 ZNRYESNZHSEXQB-UHFFFAOYSA-N 443.504 1.654 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1595659373 WXLPZIFAXCAAKH-QUCCMNQESA-N 441.532 1.736 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC)CCC(C(=O)OC)CC2)c1 1596213078 XCVHDYZWNVKEFA-UHFFFAOYSA-N 435.498 1.488 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCCC1 1609508628 CRWYSQONALRPNO-HXUWFJFHSA-N 437.548 1.962 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1617689238 FAYWCONVWVFFKT-SFHVURJKSA-N 436.553 1.030 30 10 IDEE CC#CC(=O)NCCOCC1=C(C(=O)OCC)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N1 1617897044 BKANPKBOTSTLKM-OAQYLSRUSA-N 440.496 1.794 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1618896510 HSXLXGFVXAMSCA-BTYIYWSLSA-N 426.477 1.245 30 10 IDEE COCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619850471 XEENYHLSADGYNG-KRWDZBQOSA-N 433.520 1.677 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCSC[C@H]3C#N)CS(=O)(=O)[C@@H]2C1 1624161421 VEYRRVMFNRMMRE-KBUPBQIOSA-N 429.564 1.124 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1625896442 MTAVZNMGTUYFRZ-QWFCFKBJSA-N 440.500 1.508 30 10 IDEE CCOC(=O)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1628679871 BQVINXYIRWMEEH-MFKMUULPSA-N 435.424 1.504 30 10 IDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1629727063 NWAANSLXDWZMHD-MRXNPFEDSA-N 449.577 1.548 30 10 IDEE C[C@H](CC(=O)N1CCN[C@@H](Cc2ccc(F)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1630807713 AUZVFJAYXOBFPK-QAPCUYQASA-N 444.532 1.686 30 10 IDEE N#CCCN1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1632348761 HOFKZFHEHGFCTJ-UHFFFAOYSA-N 438.859 1.695 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2OC(C)C)CC1 1632960530 IZRGZLUJQCIFLZ-UHFFFAOYSA-N 444.351 1.462 30 10 IDEE C=C[C@H](O)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1633895134 SCIBHJAGXONUOR-QYZOEREBSA-N 429.473 1.366 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C 1633903823 HQFNLAVVALGFAU-AEFFLSMTSA-N 434.562 1.327 30 10 IDEE C=CCONC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1635306736 WBXUFXPBBCZOFX-UHFFFAOYSA-N 432.340 1.668 30 10 IDEE CC(C)(C)N1C[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1641853382 FSPSQFBVPMTZIE-QGZVFWFLSA-N 446.573 1.722 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 1643574975 YFYPRLNJOFQHPE-WOJBJXKFSA-N 427.526 1.707 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1646096146 RJNIVFOPQPMWNL-RDJZCZTQSA-N 443.529 1.732 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CN3CCNC3=O)CC2)s1 1652916530 MFVMOTGFBBORDE-UHFFFAOYSA-N 426.564 1.019 30 10 IDEE CN(C)CCC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1654363223 JQGSELBCSUQAKY-YADHBBJMSA-N 431.556 1.577 30 10 IDEE N#C[C@@]12CN(CCC(=O)Nc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1660309422 DTAAZLDARSAHML-ZBEGNZNMSA-N 430.299 1.787 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COc3ccccc3)c2)CC1 1673690397 YMSRYVAWNHOYRF-UHFFFAOYSA-N 428.514 1.883 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CCO2)c1 1683513257 AEZPQAXNAIAKAZ-MJGOQNOKSA-N 427.482 1.876 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1683869942 DFFXNUFDNHOTHW-LJQANCHMSA-N 433.520 1.348 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)C1 1684082839 JHYQQMPSGHCVMK-PMACEKPBSA-N 432.952 1.979 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1685125887 XWDCRIUYNWOCGX-UHFFFAOYSA-N 442.545 1.376 30 10 IDEE CC(C)C[C@H](NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)C(=O)N1CCOCC1 1686877686 SRSLYLZFTBIZIW-MOPGFXCFSA-N 428.537 1.813 30 10 IDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689988812 WRTGMBRYSQUBJR-OAHLLOKOSA-N 427.530 1.824 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1690028090 KDMBXYIQEXTUCD-OTWHNJEPSA-N 443.548 1.963 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ncn(-c2ccccc2)n1 1690105191 WKYIDGMFPZLVGN-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@H]2CCC(=O)N2)n1 1690109083 GHBWGWMRABUPGY-QGZVFWFLSA-N 427.553 1.628 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1690109155 IKIVTYSKRNBYGO-VQTJNVASSA-N 428.581 1.865 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nncn2CC)CC1 1690111787 JZQLUZSMSMNYSO-QGZVFWFLSA-N 438.511 1.972 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2conc2COC)CC1 1690145971 BYFAKERNKWUHBA-QGZVFWFLSA-N 442.520 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCSC2)CC1 1690152745 WREPOUXUFOZIDH-GOSISDBHSA-N 441.605 1.859 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690155249 IFDQFDSZZPMKPQ-HXUWFJFHSA-N 425.518 1.151 30 10 IDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690230535 ICOGEOATENPMAF-INIZCTEOSA-N 435.326 1.514 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690251210 QSPZPEGIPAQCBR-OPYAIIAOSA-N 427.553 1.788 30 10 IDEE C=C(C)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690296938 YKBQUMVSIGWCFJ-QFIPXVFZSA-N 435.569 1.874 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690725719 ZTLSEYJJJXWSLB-OAQYLSRUSA-N 449.552 1.571 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1690852579 GRIYBSIQVHNAME-FZFLATATSA-N 429.525 1.060 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1690947731 FWGINNZICZCQEO-HSZRJFAPSA-N 435.532 1.648 30 10 IDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)cnn1C 1692944313 GSUUWCRTLAFGHS-HNNXBMFYSA-N 434.504 1.486 30 10 IDEE CCOCc1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696318799 XFOWEBPSHRNQCH-VXPUYCOJSA-N 431.541 1.262 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C[C@H]1O 1697064871 AJZUKNLGRYEJDI-CBGDNZLLSA-N 443.529 1.045 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1698309843 VOLCFWBJIPPNKX-QGZVFWFLSA-N 427.527 1.434 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1705489125 KEVQKUTUVIFEHM-CYBMUJFWSA-N 431.547 1.541 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705562392 BGDNVBCFHHEDAB-MRXNPFEDSA-N 447.561 1.636 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705566407 NUEQAIGLSXPBBY-JENIJYKNSA-N 449.621 1.670 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1705582199 VSDPIEZTWBTOPG-SFHVURJKSA-N 442.564 1.992 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCc2ccco2)CC1 1705637197 MVORYPVCBVLSSG-UHFFFAOYSA-N 434.500 1.618 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705739388 FBDZUNOGSHTXDG-GOSISDBHSA-N 445.545 1.945 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1705754860 HCBCVAXZGHWXNM-AWEZNQCLSA-N 440.932 1.665 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1705885536 WATMABMBYXVJHQ-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 1705922310 KNULDRCOPJTTND-ZWKOTPCHSA-N 431.585 1.037 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705932481 DYPZLFCWBIOZPT-LJQANCHMSA-N 442.545 1.522 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCC)CC1 1705936699 WTODVDUIARWVOX-MRXNPFEDSA-N 441.554 1.399 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)CC1 1705938648 FTTRYKHNRSWJOU-HZPDHXFCSA-N 444.623 1.366 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1711445343 AGIBZEXUWOUCJM-QGZVFWFLSA-N 446.533 1.144 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC[C@@H]1C 1712073237 VGJFCHYZZYECFT-KXBFYZLASA-N 434.504 1.831 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1712421594 FBQVFSZSFNVCLN-UHFFFAOYSA-N 449.563 1.903 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722280974 LUJYPTLOFNOPKT-LSDHHAIUSA-N 432.506 1.593 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1722396473 IYJUGRMJJFMGQT-GOSISDBHSA-N 433.578 1.676 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1722403615 YDQWJFUVJKZPSB-CALCHBBNSA-N 428.537 1.648 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CCS(=O)(=O)CC2)CC1 1722433703 DMCNFPRDEHXFJO-UHFFFAOYSA-N 443.573 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CC(OCC)C2)CC1 1722450401 HEMBAPWDQWDOPQ-WUZYXKQASA-N 431.537 1.025 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1722723581 ABXXPSOCTDTQQM-UHFFFAOYSA-N 433.582 1.736 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCSC[C@H]1C 1722724942 JLAFQHMBXAGCAC-CQSZACIVSA-N 429.612 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(C)C)CC1 1722727467 ONPMODNJSYUDIQ-QGZVFWFLSA-N 425.599 1.740 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1724019483 YPUJKNDSURMHNP-QGZVFWFLSA-N 442.545 1.212 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCCCCO)CC2)c1C#N 1725868809 RVRFJLNIQLEYPC-GOSISDBHSA-N 442.568 1.575 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1730788308 FBZAAQORYRADSE-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(C)(C)O 1730868258 QKGCFFZCNCTURI-QGZVFWFLSA-N 443.552 1.756 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740550144 PHZJQWVNGIEWBW-STQMWFEESA-N 426.468 1.847 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1740620970 IXVFAOMDYJSVLR-INIZCTEOSA-N 444.586 2.000 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1740626190 KEORIYJZALOAJR-HOTGVXAUSA-N 435.937 1.505 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1740630599 LBAJWXJHYPAINN-UHFFFAOYSA-N 432.933 1.611 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N[C@H](C)CC)CC1 1740694576 NNJFHQMMMWDLEG-MRXNPFEDSA-N 441.536 1.066 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)N(C)C 1740773806 DQZBIVYGXGSFQV-MSOLQXFVSA-N 440.614 1.354 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1740786611 JNIJLBSYMGXLIA-MRXNPFEDSA-N 427.509 1.610 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740861869 CHYBIHHOAHTVIY-INIZCTEOSA-N 430.509 1.703 30 10 IDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1740946690 BEBVSEYLAXFHDG-DLBZAZTESA-N 427.571 1.235 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1744750149 FBKPBTNEWCKRBH-BJLXPSRBSA-N 426.546 1.833 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1748639028 AZMMFEJGWMDMKF-HUUCEWRRSA-N 428.628 1.174 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CC(=O)N2CCOCC2)c1 1748692090 QWFDRLQKWKYIPB-QGZVFWFLSA-N 438.532 1.707 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1748717600 DIDXGGADLDXGEY-DLBZAZTESA-N 433.578 1.479 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1748774960 AGWFLGLVRAUZDK-AWEZNQCLSA-N 431.294 1.765 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1748790356 XMSRHBZEBAAUDJ-QZTJIDSGSA-N 432.569 1.996 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F 1748963033 WYFOKLAZKIMEFZ-OAHLLOKOSA-N 438.500 1.787 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1748971457 QIMSWGUNUCOAEQ-GOSISDBHSA-N 444.580 1.495 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCC[C@H]2C)CC1 1748971665 YKZFYCYQSVZOAM-HXUWFJFHSA-N 427.597 1.534 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCN2CCOCC2)nnc1[C@@]1(OCC)CCOC1 1749140310 NTOOGWCUWGTQPG-SXWKCWPCSA-N 449.596 1.680 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC)C1CC1 1749519456 LDYHDBAUZZEYMD-QGZVFWFLSA-N 448.549 1.218 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)CC1 1749655478 LXGOBXAGSLEOLC-UHFFFAOYSA-N 425.461 1.417 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)C1 1749698737 XLLKWEMCUHJNHO-AUSIDOKSSA-N 449.596 1.822 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760141222 NOAHCNPBTVCLTN-UHFFFAOYSA-N 432.532 1.797 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760189336 HYCYCENNNXYZLQ-GHTZIAJQSA-N 431.562 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1760204631 XIMPGDUGVDCHBZ-QHCPKHFHSA-N 436.585 1.545 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760449405 IPMJBRJONUMOML-JKSUJKDBSA-N 445.524 1.906 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760449736 SSTIESSQULLMBF-HNNXBMFYSA-N 446.508 1.875 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1760464225 CDTMYOHWUIKDTM-GOSISDBHSA-N 431.562 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(=O)NC)CC1 1760515999 UPVNBTCJQXOADI-UHFFFAOYSA-N 448.531 1.600 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2C[C@H]1CO2 1760558495 QHVFDRLIPMUCHD-IRXDYDNUSA-N 448.545 1.834 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnnn1C 1761363010 BBBISDKYIUWRKV-IBGZPJMESA-N 448.579 1.558 30 10 IDEE CC[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768323541 GEIKKLFBOBFUDU-OKXSDPAFSA-N 443.577 1.534 30 10 IDEE CS(=O)(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1770361914 GEXVAXBRKFJAQV-KRWDZBQOSA-N 432.506 1.080 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCCO2)C1 1770727431 MGXLHCSFSLQFJW-IERDGZPVSA-N 443.483 1.953 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1771353744 UQIYPIHUQWCADO-IBGZPJMESA-N 428.562 1.926 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CCn3cnc4ccccc4c3=O)CC2)nc1 1851716957 ZWHBRONMKARWTG-UHFFFAOYSA-N 432.484 1.419 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3nccc(C#N)n3)CC2)c1 1851775126 KSLJFJNAQYNXQE-IBGZPJMESA-N 440.529 1.159 30 10 IDEE COc1ccc(C(N)=NOCCC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1 1853586357 QUYLYKPCDRCZMY-UHFFFAOYSA-N 438.484 1.162 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc([C@@H]3CCCO3)cc2)C(=O)C12CCCC2 1854418824 LOCNCMFCXNTGEW-SFHVURJKSA-N 431.514 1.989 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC(C)C)CC3)CC2=O)CC1=O 1855618211 KUKVEDUPGNAVOO-ZWKOTPCHSA-N 439.578 1.094 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)c2ccc(N3CCOCC3)cc2)CO1 1855970362 PDXYWAGBESVMOJ-IBGZPJMESA-N 443.481 1.556 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)CC1=O 1856806003 WEALNKPUIIRVHD-QWHCGFSZSA-N 444.893 1.231 30 10 IDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N=c3cc[nH]cc3)cc2)c1 1858678510 ZFUINLUVSXITKG-UHFFFAOYSA-N 435.465 1.816 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)cc1 1862605706 APQVJLPEOBQQQO-FQEVSTJZSA-N 438.436 1.878 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(OC)c(OC)c2)c(OC)c1 1870098928 YZJMUDHIGMBKBK-UHFFFAOYSA-N 445.457 1.974 30 10 IDEE COc1cc(OC)cc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 1870139961 SHVMHIYJZGHMEC-UHFFFAOYSA-N 432.396 1.634 30 10 IDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1870961802 HFLBGXODCCEFBM-UHFFFAOYSA-N 446.460 1.705 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1872901802 HNQMKYPPLYMTAN-LJQANCHMSA-N 443.544 1.636 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987531505 VRLDSKXYVSUJQJ-XHSDSOJGSA-N 425.526 1.780 30 10 IDEE N#CC1(CS(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)CCOCC1 2174786016 FNEYOVONCRWOQZ-MSOLQXFVSA-N 437.518 1.310 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247903073 DMKAECYKUJDKHA-AAEUAGOBSA-N 440.293 1.893 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2255530546 UHVIFGMTPGKJMR-QLFBSQMISA-N 440.346 1.460 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255606197 RDFMQLRTLABJHZ-OLZOCXBDSA-N 435.334 1.242 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2255626528 HDMBZRFOAKWSIK-UHFFFAOYSA-N 430.236 1.240 30 10 IDEE CN(CCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2255628978 PGQBTFVLEQYWJT-UHFFFAOYSA-N 438.334 1.322 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(=O)NCc3ccccc3)cc2F)OC1(C)C 2255748676 GYZLDRIRZJNONY-UHFFFAOYSA-N 448.325 1.720 30 10 IDEE Cn1cc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255829794 VRWFXJLQRXEEPA-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]21 2255843652 JUFDLJZKTAZQCW-HUUCEWRRSA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2256620493 JKKIPQARPRBSJU-MRXNPFEDSA-N 432.326 1.761 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)CC2(C)C)n1 2267116896 QEMHMDONKXTFBE-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)nc1B1OC(C)(C)C(C)(C)O1 2267504835 YMMRSRAENSHTAA-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 2267547238 HULIRNMARMZDTM-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H](C3OCCO3)C2)OC1(C)C 2282509079 GELRBMOREAMNEE-AWEZNQCLSA-N 443.396 1.962 30 10 IDEE C=CC[C@@]1(CO)CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2287689729 CIJJNGUNWAGLLQ-XLIONFOSSA-N 440.518 1.489 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2315529376 UOYDNPZECITJGA-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE COc1cc(C=CC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC 2323177566 KITJAJJWFPZHIE-UHFFFAOYSA-N 428.441 1.872 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CCO)COCc1ccccc1 2343500023 MDQSUFONCVYRAJ-GOSISDBHSA-N 443.353 1.725 30 10 IDEE CCOc1ccccc1NC(=O)CS(=O)(=O)[C@@H](CC)C(=O)Nc1c(C#N)cnn1C 16893844 ZVQCKWRRSFJVGX-INIZCTEOSA-N 433.490 1.461 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3F)n2)cc1 20833324 IVPPSFDFLCFBGL-AWQFTUOYSA-N 449.493 1.768 30 10 IDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2Cc1ccc(F)cc1 33726755 SMJKATVMUZWPQA-LSHDLFTRSA-N 437.391 1.965 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2F)c(C)n1 102753929 AYBMDUBORUZDTD-LCPUNJGISA-N 440.475 1.986 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 460800857 UNUNYYVIRRSSPY-UHFFFAOYSA-N 438.540 1.537 30 10 IDEE Cc1nc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 465330501 VSUMTRNLKRMSPR-UHFFFAOYSA-N 433.515 1.103 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(C)C)c1=O 478738821 ZAWNFLDJBUWPHM-UHFFFAOYSA-N 443.544 1.629 30 10 IDEE N#CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 487326823 QDOMEYKFJIAXRV-FQEVSTJZSA-N 440.525 1.972 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cn2)CC1 487826366 XALCUDVYWUHIIX-HXUWFJFHSA-N 435.532 1.853 30 10 IDEE N#Cc1c(F)cccc1N1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 501861716 NXPHLZKUMQXYRE-UHFFFAOYSA-N 428.489 1.674 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2C)c1=O 512738564 ODDDJXGCZLWUNC-UHFFFAOYSA-N 433.537 1.549 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 519067179 XJRJWPDFHGSPCF-RDTXWAMCSA-N 426.525 1.376 30 10 IDEE Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)n1 538147063 DMVORIKRXHWZNA-PMACEKPBSA-N 426.565 1.733 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 603801170 ZCRSLELKIDWNPD-OAHLLOKOSA-N 442.497 1.025 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 604002730 WCSLDBJJZOCMHH-UHFFFAOYSA-N 430.464 1.715 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)c1 731460964 HFRZYNZYZFCXBT-UHFFFAOYSA-N 442.523 1.938 30 10 IDEE COc1cccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 732494289 DGEGTUXHFXFUBH-CTNGQTDRSA-N 446.463 1.818 30 10 IDEE N#C[C@H]1CN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)CCN1C1CC1 732672605 KTCYEUGTISJODQ-FQEVSTJZSA-N 439.589 1.929 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795522 LFEWOLWFGXCHLS-KRWDZBQOSA-N 443.573 1.286 30 10 IDEE C=CCc1cc(C(=O)NS(=O)(=O)N2CCC[C@H]2C(=O)OCC)cc(OC)c1OC 735772747 WGWSAAAGUFKPPI-HNNXBMFYSA-N 426.491 1.434 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCO[C@@H](C(=O)OCC)C3)nc12 741241591 KSGWQSLPJSGVOX-MRXNPFEDSA-N 429.502 1.588 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F 742278097 DBERDEDNCPXYRZ-SNVBAGLBSA-N 440.877 1.388 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2C#N)c1=O 743726802 VAZLXTRWSMCRFK-UHFFFAOYSA-N 447.545 1.661 30 10 IDEE COc1ccc(Br)c(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c1 747807546 MYQGZIMYDSJDOS-OAHLLOKOSA-N 446.326 1.887 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O 753751407 APSWNEPQUFHURF-ZBFHGGJFSA-N 449.558 1.050 30 10 IDEE CCc1c(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)cnc2c1c(=O)n(C)c(=O)n2C 754029598 NSEBTXHSCCOODY-OAHLLOKOSA-N 435.484 1.806 30 10 IDEE C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ccc(N4CCN(C)CC4)nc3)no2)c1 761492409 CQPFMFWPRARUHV-UHFFFAOYSA-N 438.513 1.462 30 10 IDEE C#CCN(C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 774196315 IZLQTFOJMCEFBI-SJLPKXTDSA-N 436.553 1.470 30 10 IDEE COC(=O)CC1(NCC(=O)N(CCC#N)c2ccc(C)c(C)c2)CCS(=O)(=O)CC1 784400144 RRKIFULAQHNKRL-UHFFFAOYSA-N 435.546 1.650 30 10 IDEE Cc1c(CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cnn1C 791009963 YUHRUAVZDNNDRQ-NKFKGCMQSA-N 446.533 1.138 30 10 IDEE C[C@H](C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)n1cnc(C#N)n1 801086356 KCPHQSISOLXWQG-OLZOCXBDSA-N 445.446 1.311 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)cn1 801289095 ZTKFTVRQPWOCMM-GOSISDBHSA-N 445.570 1.907 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 803698189 HKGUYBYFWZRMJH-IAGOWNOFSA-N 446.525 1.629 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@]2(CCCOC2)C1 804132902 ZIYUBWCYXHFJPU-LAUBAEHRSA-N 435.546 1.548 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3cscc3C#N)C2=O)cc1 814613729 ISDCKEQYJUIPDY-IBGZPJMESA-N 428.426 1.284 30 10 IDEE CO[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)OC(C)(C)C 1125188745 HLVOVEOXSCIXKM-NOEYKIMYSA-N 425.507 1.795 30 10 IDEE CC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(Br)c1 1134278734 JFMRYQIAGYCAEM-LXZKKBNFSA-N 440.319 1.023 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)N3CCCC3)CC2)s1 1141266698 DOTOKWSXDOJNHA-UHFFFAOYSA-N 426.564 1.115 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](OCCN3CCCC3)C2)s1 1149992619 NHIIUMHFRZPJCU-INIZCTEOSA-N 427.592 1.468 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)C2)c1 1168643396 VKBPHVBXEIIRQW-NJTIBFSMSA-N 443.507 1.984 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Sc3ncccn3)cc2C)CC1 1199525125 HKGOJVDUUVXWRC-UHFFFAOYSA-N 446.558 1.553 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)N1CCOCC1 1286282885 OYXSRKKFNFCLMQ-WIYYLYMNSA-N 449.563 1.736 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)CN(C)C2=O)CC1 1286472756 KKHIBJAMOBRJTH-IBGZPJMESA-N 446.353 1.269 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2)CC1 1286490225 OAXSWGDFWCDVHH-DEOSSOPVSA-N 445.527 1.609 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CCNS(C)(=O)=O 1286782430 UQKOEVOESCRTBV-UHFFFAOYSA-N 448.593 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cncn2)C1 1286822688 NDBPJVORKQGFRI-QGZVFWFLSA-N 447.590 1.964 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1286964926 GKJZICGKIWBRHC-ZDUSSCGKSA-N 436.538 1.815 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)cc1C 1289743237 LJMSRDGYXNRSOD-UHFFFAOYSA-N 433.472 1.987 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1299225795 DANNDIOTNDJAQT-SSEXGKCCSA-N 430.534 1.212 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1300308499 CJUARUFGIGONFR-JKSBSHDWSA-N 449.552 1.850 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300391977 JDAGDTWOSPALIW-CQSZACIVSA-N 447.326 1.812 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1300466559 YBVRJLSWKHQOAV-SFHVURJKSA-N 449.602 1.863 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300479253 KIOIHEZMWQFCNL-MRXNPFEDSA-N 435.575 1.347 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300498331 JFTJQCXKPRSDOA-MOPGFXCFSA-N 429.546 1.460 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1300621656 OOLNRUZIEGCDJQ-LEWJYISDSA-N 436.560 1.980 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)c1 1300664696 SKRIOIPCUWWDOB-UHFFFAOYSA-N 435.532 1.650 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1300701356 PNRDEFKITBAPMM-TZIWHRDSSA-N 427.524 1.815 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1300725549 ICADXRGIYYXBPP-HZPDHXFCSA-N 443.470 1.715 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1300889009 OQBWADBXGNBZNR-CUWPLCDZSA-N 443.523 1.940 30 10 IDEE C=C(C)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1300969717 AZKFLVBFJYQVLH-QHCPKHFHSA-N 440.548 1.932 30 10 IDEE C=C(C)COCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(=O)NC)C1 1300996294 CAVWYJZNRJARCQ-FQEVSTJZSA-N 438.532 1.825 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1301158805 PIPWWOQPVFLOIM-HXUWFJFHSA-N 441.598 1.614 30 10 IDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301241495 RMWKMMIARIVNRM-UHFFFAOYSA-N 437.548 1.620 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(F)F)CC1 1301514811 NDBBWSYOUOMZOF-UHFFFAOYSA-N 434.491 1.855 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(N)=O)CC1 1301528869 FZFGSORBFIPYEY-SFHVURJKSA-N 438.532 1.934 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1303469714 JFZCFUZUAZTYTK-KRWDZBQOSA-N 441.920 1.763 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)[C@H]1c1nccn1C 1303900616 PGZYQFIQHXNEAT-VDGAXYAQSA-N 437.504 1.078 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1305328105 CUQRABIIFCWXLA-SRMJIJMDSA-N 439.520 1.561 30 10 IDEE N#CC[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1307923387 HPGNKXMTQNFLQE-OAHLLOKOSA-N 440.953 1.925 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)CC1 1313311881 DUGHYOGKTYYONJ-UHFFFAOYSA-N 436.394 1.415 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1313502676 CQJFIKFGYKVBFP-IAGOWNOFSA-N 440.504 1.750 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1314890120 AOFOVZSRZMWLME-GOSISDBHSA-N 445.545 1.921 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)c(C#N)cn1 1352031097 YSKFKCYTXQVCDJ-UHFFFAOYSA-N 430.486 1.934 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1358918639 BNLLANSJGPCQNU-MOPGFXCFSA-N 437.548 1.886 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCCn1cc(Br)cn1 1358952245 CPZLHWLSIXUQAK-UHFFFAOYSA-N 434.342 1.909 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1358958324 LOPAQTNVEHJFJF-QAPCUYQASA-N 431.562 1.956 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358961378 XOCUFVBSHPIEGW-KRWDZBQOSA-N 438.513 1.419 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359045930 YKKUDMMVVFQNCC-SFHVURJKSA-N 440.523 1.290 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359052227 YLGDUBQXCDRIJZ-UHFFFAOYSA-N 442.589 1.957 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccccc1 1359137927 FMFJHANQXQGROP-IERDGZPVSA-N 446.577 1.564 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1359226119 WZDZXZLQDBVYLB-UHFFFAOYSA-N 437.504 1.888 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359337574 WBVMEEWAJBMPCP-KKUMJFAQSA-N 442.611 1.055 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1359472599 NOSCCQGZERFLRB-ZDUSSCGKSA-N 434.522 1.426 30 10 IDEE CC(C)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1360152487 MWECLWISYJRXIK-DPPKGPFUSA-N 443.552 1.229 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=NN(CCO)C(=O)CC2)cc1 1441898784 YPBKBBPSZVTWDG-NKFKGCMQSA-N 449.533 1.189 30 10 IDEE COC(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O 1448841371 WEANINDXEZGAQE-MSOLQXFVSA-N 432.908 1.460 30 10 IDEE CC(C)[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)C(=O)N(C)Cc1nnc2n1CCC2 1460050391 MHUSMAHPLFWWDV-OAQYLSRUSA-N 448.527 1.097 30 10 IDEE C#CCn1cc(CNC(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cn1 1467724626 GANDHRAOUZDOJH-UHFFFAOYSA-N 427.509 1.918 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)NC(C)C)CC3)n[nH]2)c1C 1468893085 SNFXRACBNAAFJG-UHFFFAOYSA-N 435.554 1.077 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)CC1 1470426694 RIUCFCWHOITLNG-OAQYLSRUSA-N 447.605 1.084 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2n[nH]cc2I)CC1 1471227585 WJXXFQOEYWGZAG-UHFFFAOYSA-N 425.205 1.987 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 1475696869 DQOCHENFACASRL-UHFFFAOYSA-N 439.603 1.546 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1498107479 AJLQGNMCTMGLJU-RTBURBONSA-N 427.505 1.954 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507565314 BMXJIRDIUUDVEL-QGZVFWFLSA-N 441.561 1.910 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507622929 MXZJPCYXZOYXBK-CRAIPNDOSA-N 444.561 1.957 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1507660489 VSGDVLGGSVKVEH-MOPGFXCFSA-N 434.610 1.473 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1507755748 CTGRCLPVNGRVBT-NRFANRHFSA-N 429.546 1.934 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507773768 MGNPBDVJIWEBFK-OXJNMPFZSA-N 448.618 1.907 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC)C1 1507804223 FAJHTBUJIVHVOP-ZWOKBUDYSA-N 430.553 1.344 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1)C1CC1 1507992693 HUAVNBYCHXFBQT-ROUUACIJSA-N 436.626 1.361 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H](O)C1)C1CC1 1507993278 PFFVEJOKRYZAIU-NJAFHUGGSA-N 439.582 1.317 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1508039118 YDSCTDQRBNVKQG-UHFFFAOYSA-N 439.343 1.980 30 10 IDEE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1508239574 UKVMCUVMBGBTBY-ZHRRBRCNSA-N 442.520 1.889 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1508428456 AELXRLOPZGSNDB-ZIAGYGMSSA-N 439.563 1.119 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1 1508464327 DQLQIQCSIIVGJU-UHFFFAOYSA-N 448.535 1.823 30 10 IDEE CC(C)C(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508827647 NGUKMZNPTMQVNY-SFHVURJKSA-N 427.578 1.879 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC[C@H]1CCCO1 1513918432 QTBDWLWKHIUWIS-GOSISDBHSA-N 442.568 1.666 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1515955263 FQAKAVIIBWTQAI-UHFFFAOYSA-N 432.550 1.460 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)C1 1516023402 GLDHZZCOMLDPNK-GOSISDBHSA-N 430.534 1.657 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517674385 VFKMTZXBURWRHZ-YWMAMYRUSA-N 430.509 1.392 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)C1=O 1531334740 FAAZGZDTDLHKAD-UHFFFAOYSA-N 448.451 1.443 30 10 IDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1539111222 PJLPGIYDABQXHI-GOSISDBHSA-N 448.593 1.574 30 10 IDEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539134179 RCUAAVDZSJEEJP-SFHVURJKSA-N 436.516 1.034 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 1539206276 NYGSMGDUJSITBZ-MSOLQXFVSA-N 431.537 1.879 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1539225865 RCEUMSSGGOFGKI-INIZCTEOSA-N 428.543 1.395 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1539363558 RLCMEFTXGHNONV-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCN(C)C)CC1 1539446014 OABHRCRGVFBVNY-UHFFFAOYSA-N 446.559 1.479 30 10 IDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539519171 DJABBVZMVCLEIR-UHFFFAOYSA-N 440.617 1.754 30 10 IDEE C#CCSCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539530906 PCVFSQWCCMDZOB-XMSQKQJNSA-N 447.605 1.886 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3([C@@H]4CCCCO4)CCCO3)CC2)cc1 1540728308 BXKZBQVSFPKEPQ-FPOVZHCZSA-N 433.530 1.509 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540873495 ZQEPXSJYPAZVKG-UHFFFAOYSA-N 440.552 1.150 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccco2)C1 1540892195 HNNGMIHGLWKIPP-QINHECLXSA-N 436.534 1.462 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1541131370 DYCSYQYBQDLYMU-UHFFFAOYSA-N 433.520 1.803 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1CCN/C(O)=C1/N=CC=CC1=O 1541634939 SISOVGSTBZZIGC-RMYFCYLKSA-N 441.492 1.733 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1541703184 GXHFCZWBDMZXFH-UHFFFAOYSA-N 437.504 1.064 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1544310037 OJWSRRZUJQFRJY-VRDTWPBBSA-N 444.536 1.691 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1544773278 YACPWXYJNNKXSW-DPHDRGAJSA-N 426.452 1.836 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1555556730 HCPJFLOEVJLFFA-HDICACEKSA-N 442.568 1.989 30 10 IDEE COCCOCCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555722146 BGXUXEVZUKOPDH-INIZCTEOSA-N 426.525 1.585 30 10 IDEE 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COC(=O)[C@@H]1CN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C(=O)OC 1634175295 YRGMIRVARYXOGG-CALCHBBNSA-N 425.445 1.062 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC(CC#N)CC2)C1 1638341060 XFTAJAKNEHLSGC-MRXNPFEDSA-N 428.555 1.746 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4nnccc4C#N)CC[C@H]32)CC1 1640028787 AVALOJBAJXARTI-DLBZAZTESA-N 427.509 1.720 30 10 IDEE C#C[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1641573979 CBPSHENGNUTCGF-YPMHNXCESA-N 425.359 1.504 30 10 IDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1642482608 JTPKRMVFHHZIIW-LBPRGKRZSA-N 434.449 1.652 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCC#CCN(C)C 1643409915 YXEWCCRLPGEHHB-UHFFFAOYSA-N 430.486 1.999 30 10 IDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1655826078 AORBSYNFPRSLCO-QGZVFWFLSA-N 435.546 1.024 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c(=O)n1CCO 1656828651 UZUZCOGNEGTSOJ-QFIPXVFZSA-N 444.491 1.357 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN(CCCF)CC2)CC1 1659657072 XQLXKEHPCCLXAJ-UHFFFAOYSA-N 430.484 1.432 30 10 IDEE CC#CC[C@@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1672100891 QPPYDCSWYLMXJI-GJZGRUSLSA-N 436.475 1.544 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1680908883 DTUDISLITJBSJU-INIZCTEOSA-N 445.582 1.693 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1685217470 RKXCIGARYLUYHL-UHFFFAOYSA-N 442.545 1.376 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSc2ccccc21 1689966191 MOYCINQMRVPMMW-WBVHZDCISA-N 447.586 1.570 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1689999893 LJDGWPNGXQUONJ-KRWDZBQOSA-N 428.562 1.384 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690018004 QVKQZOWHCDDWTO-GOTSBHOMSA-N 433.556 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2OCCC2(C)C)CC1 1690141787 CCXCZOHJHCUUGN-SFHVURJKSA-N 425.537 1.460 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690233738 PXUASXYMLRUUND-QGZVFWFLSA-N 441.330 1.538 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNS(C)(=O)=O 1690262524 DGPANYXQSPVAMW-UHFFFAOYSA-N 445.549 1.144 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1690622486 QLVCIHCVYBMBNP-IAGOWNOFSA-N 434.566 1.593 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690671270 SLNKEEQVYAHIFK-SFHVURJKSA-N 436.520 1.068 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1692888148 XCCVDBYHRHBJOO-GDBMZVCRSA-N 448.549 1.498 30 10 IDEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1693843494 HVRMCKPZPJPHQD-UWJYYQICSA-N 433.532 1.343 30 10 IDEE COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1698225050 SMOPTBYGYZCEHQ-RBUKOAKNSA-N 440.504 1.342 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698493192 PBNNTXJZGIFEGH-QUCCMNQESA-N 449.490 1.476 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1705587824 KKJOXDZXFUAZBT-VOLVWJTLSA-N 443.548 1.662 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cccn1 1705593726 VARYZWHBBUFVED-UHFFFAOYSA-N 426.488 1.671 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@]2(O)CCN(C)C2)n1 1705631791 QEJYKRSTHLTNON-DEOSSOPVSA-N 449.559 1.494 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705635121 RTMWIZMGMPHGOD-PMACEKPBSA-N 432.613 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2COCCO2)CC1 1705636582 PXMOJLPWWXPTJO-KRWDZBQOSA-N 431.924 1.778 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCOCC2)CC1 1705641788 UJRIPLUUIIPXMY-UHFFFAOYSA-N 438.576 1.377 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)CC1 1705644706 ZOHNPKMPBZJWNX-UHFFFAOYSA-N 437.548 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(COC)cc2)CC1 1705648541 UGYKSGSTUHRKAF-NRFANRHFSA-N 437.544 1.943 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1705751891 AXSRDBRYTYXBMQ-INIZCTEOSA-N 448.959 1.151 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705935879 FUPBRUIJFLDZHL-HZPDHXFCSA-N 441.554 1.098 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C1 1705966350 FZHLVMBLYCOOQM-FXAWDEMLSA-N 439.564 1.983 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1709938260 KYFDWJIOWUOFRB-WIYYLYMNSA-N 445.545 1.636 30 10 IDEE CO[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712058106 HWDYDUVLDVUKHC-UAFUQJIBSA-N 437.504 1.406 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccco1 1722298231 ADVARVGIVMSIDK-CQSZACIVSA-N 426.502 1.751 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1722361354 MIFYVENSWJDPQX-KRWDZBQOSA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1722369918 IQAQTPQLAZBDKS-INIZCTEOSA-N 436.509 1.637 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1722393533 FEGHLNSYBCGMKX-GOSISDBHSA-N 426.546 1.535 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)C 1722429252 OZVTVKSZAAWFDM-OTWHNJEPSA-N 438.594 1.717 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1722490844 DTNMTTVPPKFBBQ-WWNBULGVSA-N 441.598 1.875 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722624426 CSUCVHXTOPVHKL-GOSISDBHSA-N 429.569 1.961 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722700478 KQHMIGSNXWMYGB-UHFFFAOYSA-N 441.536 1.623 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1722709616 UIMJZOVKDSRHIC-JKSUJKDBSA-N 425.555 1.022 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)CCOC1 1728818504 QWYYSIRWIHMKSY-BBTUJRGHSA-N 435.525 1.102 30 10 IDEE CN(C)CCOCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729341256 OGCDXIAWKLWQOJ-UHFFFAOYSA-N 448.531 1.377 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1740599435 APECWRTXYZKDFC-MJGOQNOKSA-N 446.577 1.031 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740627507 QWOQURGRGUSIFZ-IEBWSBKVSA-N 432.521 1.986 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1740697275 YBVMCNBTLFOJHG-WOJBJXKFSA-N 448.637 1.436 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCCC2)CCOCC1 1740891150 SXGKHXXSOLNOHQ-INIZCTEOSA-N 426.587 1.156 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1 1740951513 HRWQGNVJWXIQRA-KRWDZBQOSA-N 439.520 1.481 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)OC1CCCC1 1740959365 SRCUCVISIGFYGV-UHFFFAOYSA-N 437.504 1.805 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740964865 WYCUAKSVRQWZRF-NRFANRHFSA-N 444.923 1.672 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740975624 CPVRXROVVZWPKM-ZWKOTPCHSA-N 446.577 1.711 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1748630012 APMFIRFVDRHBTL-MGPUTAFESA-N 427.440 1.384 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1748761427 XMMXYSVHCOSMHA-UHFFFAOYSA-N 447.561 1.797 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748823960 GHGUDEOKMBNUCA-GBESFXJTSA-N 435.594 1.631 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)C(C)(C)C 1748935364 QGSIHFDPWOVQML-UHFFFAOYSA-N 437.591 1.942 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)CC1 1748989130 FYAWOSBOIIRFTR-RTBURBONSA-N 443.573 1.403 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749670932 XKDULCZZXOVDEO-MSOLQXFVSA-N 430.553 1.217 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749676775 CXQFUDINDQEABK-INIZCTEOSA-N 428.562 1.728 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1749680207 GXGPOMRHJPNZCC-QGZVFWFLSA-N 442.520 1.273 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1749681071 WJWMAWOXQOVNTG-MRXNPFEDSA-N 432.912 1.528 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1749723665 BLBKLPWNLFEKQD-IRXDYDNUSA-N 448.545 1.931 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](COC)C1 1749738577 QLULXLNOMVVDIY-MRXNPFEDSA-N 426.564 1.383 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749752679 YVUVUUKSKBOASP-UHFFFAOYSA-N 439.611 1.506 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1750076155 LDUFWPBYFAKXHV-CYBMUJFWSA-N 428.447 1.896 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1750213026 NHUVHERNPRZXQI-JKSUJKDBSA-N 448.549 1.451 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1760262701 XDIQIPGEQIZDLQ-IBGZPJMESA-N 447.509 1.903 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1760322581 UUQOWCQXHPDTSF-KURKYZTESA-N 434.566 1.494 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760356740 VXWAJIVAHZYSGW-ZWKOTPCHSA-N 428.541 1.872 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760525039 RJDHMUGCENUBQF-UHFFFAOYSA-N 434.500 1.974 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760543575 UGOYPSJTJICKAO-XSAFGROZSA-N 428.493 1.090 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)C1 1761544417 DFOMHARRJBDSCY-FQEVSTJZSA-N 429.550 1.429 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1767388913 BWYJWTMGSWPOFZ-UHFFFAOYSA-N 444.473 1.172 30 10 IDEE CCOC1CC(O)(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1767700791 UNOMJHGOWNGUAI-DVXGCZRDSA-N 437.516 1.691 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)C[C@H]1O 1769448452 BGYVMVCJPXJCDK-MTFMMBMASA-N 439.516 1.728 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCNS(C)(=O)=O)C[C@@H]21 1771327503 AXVASDHQNJTRHP-CEXWTWQISA-N 444.561 1.617 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1772842587 SKTLYVHNTHSXDX-JKSUJKDBSA-N 429.525 1.570 30 10 IDEE CN1C[C@H](CO[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccccc2)OCC1=O 1853360745 HCYJMZGYRREDFL-WOJBJXKFSA-N 444.509 1.653 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1854459551 FJBHSSQRRJJEGF-LBPRGKRZSA-N 435.399 1.987 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc4cccnc34)C2)CC1=O 1856804779 GLGCSHQDJPRPGH-HOTGVXAUSA-N 431.470 1.117 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)C(=O)C2)s1 1857507968 IULRJRYMDDQBQY-AWEZNQCLSA-N 426.473 1.983 30 10 IDEE CN(C)CCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651377 PIWJSRLUHDUBQI-UHFFFAOYSA-N 443.529 1.428 30 10 IDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155260 DRPOMDRMULCRRM-UHFFFAOYSA-N 445.395 1.980 30 10 IDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN(CC)CCc1ccncc1 1870355160 KEXBUTVLUFYYSX-UHFFFAOYSA-N 428.533 1.371 30 10 IDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1OC 1874338779 XYEKLTHEYWMFSU-BMZJSHLCSA-N 446.533 1.479 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874469506 JPHNWYNWBWQNIA-YBFXNURJSA-N 436.494 1.924 30 10 IDEE Cn1c(=O)c2cc(C(=O)NCC#CCN3CCCCC3)n(Cc3ccccc3)c2n(C)c1=O 1889753440 DPVYRYHALSWTGP-UHFFFAOYSA-N 447.539 1.306 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900474156 BYNHIBDBFOYTNQ-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010545885 AXOFJIZYVGPFLW-CVDCTZTESA-N 428.533 1.985 30 10 IDEE CN1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CNC(=O)C(F)(F)F)C1 2106600904 SSEQXWYONKPBCR-KRWDZBQOSA-N 441.303 1.780 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cc(C#CCCO)ccn1 2145936925 HDWGXRWUGLOVCT-UHFFFAOYSA-N 427.482 1.634 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(Br)cc2C#N)[C@@H](O)C1 2197490138 QCFSYSIEEUKDQQ-KSSFIOAISA-N 440.294 1.992 30 10 IDEE N#C[C@@H]1CCN(S(=O)(=O)NC2CC3(C2)[C@@H](NC(=O)OCc2ccccc2)C3(F)F)C1 2207115634 AFEJFVWOCMNROQ-UERKLNTKSA-N 440.472 1.759 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)[C@@H]1CO 2255597560 KBMAJMIXBOFPGU-OVWQWFNUSA-N 434.342 1.601 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2255612006 ZROJXNFPHAYVFW-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]1CNC(=O)OC(C)(C)C 2255635163 XGKLYDWIMCTAPS-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255695403 DNJVPDXVRKILMR-HIFRSBDPSA-N 432.330 1.761 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1 2255751981 FCTWIWJVHRYHJV-KRWDZBQOSA-N 446.382 1.272 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255841801 IKMGAGPEOSMYJN-CQSZACIVSA-N 432.330 1.763 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255876314 LHIVREHZCSOBEV-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267503735 IKEUQLGYMGPEHY-WCQYABFASA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2310482612 MIYBPGQTNBDOHX-OWCLPIDISA-N 440.346 1.268 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)n1C 2337331011 WGFMXDXQDRDKPI-MRXNPFEDSA-N 443.309 1.428 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc(F)cc1 72444369 LAHOHBVVWIATSD-LSDHHAIUSA-N 425.420 1.476 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CCO1 409488462 VKERTCBJHFFVHF-HNNXBMFYSA-N 433.361 1.623 30 10 IDEE COCCNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 438612197 OQSRKMQAINABIP-UHFFFAOYSA-N 444.517 1.232 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 444134587 GHYKQEPTHVDGCZ-FQEVSTJZSA-N 446.983 1.986 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(OCCN(C)C)cc1 481516877 IDXAPNFDODSYQY-MRXNPFEDSA-N 430.530 1.482 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)cc1C#N 489681835 PRLFBVWNVABXFB-INIZCTEOSA-N 435.303 1.886 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cn2)C[C@@H](C)O1 499665946 DZFQSMSSIUCPBZ-QZTJIDSGSA-N 435.532 1.994 30 10 IDEE Cc1c(NC(=O)[C@@H](C)SCC(=O)N[C@@H](C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 505937560 GZMXNFHZYMIMDS-PBHICJAKSA-N 427.530 1.963 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 508464397 LWWRACWSIFPODX-UHFFFAOYSA-N 449.515 1.969 30 10 IDEE Cn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCC(C)(C#N)CC1 508565373 VNFNTWWEVMISIY-UHFFFAOYSA-N 430.534 1.633 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 508824878 IWZBLXASMBFQJG-OAHLLOKOSA-N 445.467 1.851 30 10 IDEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508870915 CNNKBFRZCKPBLE-UHFFFAOYSA-N 440.483 1.045 30 10 IDEE CCc1c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513776550 HLFABLWFAAGHFF-UHFFFAOYSA-N 447.495 1.750 30 10 IDEE CCc1c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cnc2c1c(=O)n(C)c(=O)n2C 513780105 QGNXUQZISLUTAJ-UHFFFAOYSA-N 449.467 1.526 30 10 IDEE COc1ccc(C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1OC 513785026 DMIMRAVZCWYUCW-UHFFFAOYSA-N 443.525 1.807 30 10 IDEE CC(C)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 533396322 ONPAYYJYVPRDBN-UHFFFAOYSA-N 434.562 1.281 30 10 IDEE Cc1c(I)cn(CC(=O)NC2CCN(C3CC3)CC2)c(=O)c1C#N 564390020 JRGRNZZXZQGAOU-UHFFFAOYSA-N 440.285 1.376 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1-c1ccccc1C 583953003 FXUYBVUPASKMJS-UHFFFAOYSA-N 449.532 1.782 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 729334087 IPRUVVRRYBIMGZ-HUUCEWRRSA-N 429.464 1.966 30 10 IDEE N#C[C@H]1CN(C(=O)CCCCCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 732650414 QMMIPNXMYJZYBV-VXKWHMMOSA-N 440.592 1.725 30 10 IDEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665149 YNYHEJLIOFSVQD-ZWKOTPCHSA-N 431.518 1.645 30 10 IDEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732670749 XQWLWZQGOSCZAQ-GFCCVEGCSA-N 448.364 1.213 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC(=O)N2C)cc1 734964462 YBHKJVGOLQKXFD-UYAOXDASSA-N 427.482 1.732 30 10 IDEE COc1cc(OC)c(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 742552913 GYLAIWMKCBRZBS-ZDUSSCGKSA-N 447.513 1.846 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(S(=O)(=O)Cc2ccon2)CC1 743381172 ZEXXVAXHCKMKSQ-UHFFFAOYSA-N 427.490 1.218 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C)c2=O)cn1 743725612 VQJNCGLCTHHSBN-UHFFFAOYSA-N 436.537 1.779 30 10 IDEE COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1C#N 746921280 IFVIQTLPSZXGFY-WUTDNEBXSA-N 432.480 1.986 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C1 755549066 GTEHHMDNHTZSPW-GOEBONIOSA-N 428.493 1.496 30 10 IDEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)c1 772320047 YYGPPEYTBMJZEX-UHFFFAOYSA-N 448.342 1.194 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 776511551 DFUWOJDETCWLTE-PLDZJGDPSA-N 435.525 1.990 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cnccn2)C(=O)N1Cc1nnn(C)n1 782815629 LTVMNCKVZGZFSY-AWEZNQCLSA-N 437.489 1.469 30 10 IDEE N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)ccn1 795970519 MTGBYSJBOBRJDI-QPEQYQDCSA-N 440.481 1.255 30 10 IDEE CC(C)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCS(=O)(=O)C1 796493869 YSYKYCMOWPZCCJ-DLBZAZTESA-N 442.582 1.103 30 10 IDEE C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C1(S(C)(=O)=O)CC1 806219180 FZOINQFHNKNXTA-IQQDNESTSA-N 442.563 1.587 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1 811334086 VFTXNYVEBRSVQA-UHFFFAOYSA-N 425.510 1.633 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cscc2C(F)(F)F)c(=O)n1CCN1CCOCC1 811726226 VJOJDGIAYKJION-UHFFFAOYSA-N 440.472 1.349 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 812184614 QLEHPJQBCJQMFX-AWEZNQCLSA-N 446.371 1.676 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)c(C(F)F)n1 812278173 CVTQPJPUPAYFOF-GFCCVEGCSA-N 448.495 1.490 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 814615567 MSEHHCFYERZXDL-UHFFFAOYSA-N 433.511 1.451 30 10 IDEE COc1ccc(CNC(=S)NN=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 917027071 ZWRPOWNWTNTPGT-INIZCTEOSA-N 435.575 1.866 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)cc1 919830441 OLTQDIWCILBQIU-UHFFFAOYSA-N 435.505 1.738 30 10 IDEE CC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]2COC[C@H]2O1 1130596277 ZGNIXWZNSROVMK-RTBURBONSA-N 433.530 1.364 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3ccc(C(=O)OC)nc3C2)ccc1F 1134841961 JFIZTQMHTWAYLF-UHFFFAOYSA-N 433.461 1.670 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)CN3CCC(NC(=O)OC(C)(C)C)CC3)CC2)c1C#N 1154386154 AFLOFSKSMMHQHY-UHFFFAOYSA-N 445.568 1.238 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)CC1 1171724712 ZGGUESQPINXTBX-KMDXXIMOSA-N 439.604 1.654 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C/C=C/c2ccc(Br)cc2)CC1 1175514711 FMJVHTYJMGDKEC-ONEGZZNKSA-N 426.336 1.464 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)CC2(CCOCC2)C1 1228010362 PRBWBHMNDLXMRC-HNNXBMFYSA-N 433.513 1.255 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3cccn4ncc(Br)c34)CC2)c1C#N 1269303743 ZQGBJNAAIIXWFP-UHFFFAOYSA-N 428.294 1.973 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1286272337 AYLLCVPYEZMNRO-CYBMUJFWSA-N 435.326 1.743 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1286376848 OSSQQFFMEGOSDR-ZWKOTPCHSA-N 444.561 1.196 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1286385792 PHGGQXXZWMPSHV-WFXMLNOXSA-N 436.578 1.756 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286396217 WCQFOJSZYJUIEF-PMACEKPBSA-N 442.589 1.231 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286461111 NKBJFAHILOPZAQ-NQIIRXRSSA-N 448.520 1.458 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286482351 QHWFXUDVIJPZQA-NRFANRHFSA-N 445.662 1.826 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1286687355 ISIWTVALYIKENG-INIZCTEOSA-N 436.582 1.531 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 1286794024 SZOINPLCNSYCIU-NVXWUHKLSA-N 441.598 1.370 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OCC 1287777514 OZPVAEYWIFRUCH-MRXNPFEDSA-N 429.926 1.673 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1288320762 CSLUREJPSAOCIE-XMSQKQJNSA-N 446.552 1.450 30 10 IDEE Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1290304128 JUECMEGETWTIGW-PBHICJAKSA-N 447.565 1.323 30 10 IDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1290522118 DNKAGLJIKXWZHO-GOSISDBHSA-N 425.518 1.645 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN(S(C)(=O)=O)CC3)C2)C1 1290643108 ZJGMMPRVWZEFDF-CHWWFWEZSA-N 440.566 1.313 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1296240451 HZDDSULHKMGRPE-CQSZACIVSA-N 439.520 1.479 30 10 IDEE C[C@@H](NC(=O)CCC(=O)N[C@@H]1CCN(O)C1=O)C(=O)c1ccc(Br)cc1 1298424803 GKDGGIKNNXVKFW-ZWNOBZJWSA-N 426.267 1.023 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCN(C)C2)c1 1300336843 OUDITFNYGXPIQC-XXBNENTESA-N 438.532 1.252 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1300365112 PPPQCCQQVZKVCT-MSOLQXFVSA-N 432.550 1.086 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N(C)C)CC1 1300716539 NQXOKRWGBQFWOW-UHFFFAOYSA-N 428.924 1.653 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300723575 WJVSTOCALVSCHF-UZUQRXQVSA-N 438.532 1.154 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1300857398 TUECPTWZHABYPL-UHFFFAOYSA-N 427.347 1.660 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(N)=O)C1 1300893506 ZVDALMPDAHPQBM-RKVPGOIHSA-N 444.561 1.562 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1301199011 GGKUURUCUUXDCH-UHFFFAOYSA-N 446.458 1.893 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301502761 OWZHOOWQVMOJLH-AWEZNQCLSA-N 445.474 1.005 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)C1 1301542483 BKEWPFHQJLLJDX-AUSIDOKSSA-N 449.596 1.822 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1301817862 HGZXYHZGQSTMFC-RTBURBONSA-N 435.532 1.836 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1302406043 TVIWXVQSCSTLDR-VQTJNVASSA-N 438.532 1.661 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1coc(CN(C)C)n1 1304117946 VZLZUMMMYHKMOZ-INIZCTEOSA-N 433.534 1.650 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)CC1 1310300896 JNAIEKHJLZUFLZ-UHFFFAOYSA-N 435.550 1.597 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1315610578 ZXVVPFTWWBFNSE-OALUTQOASA-N 440.548 1.919 30 10 IDEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1318856125 DNDDJQRNEQUOCL-FMQUCBEESA-N 428.445 1.023 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358961625 CANSBJQALRQQJU-IAGOWNOFSA-N 449.577 1.205 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1358993142 GULLOJZEHQWSNR-FQEVSTJZSA-N 426.542 1.838 30 10 IDEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1359138393 SRYXFEYQJSKTEZ-MJGOQNOKSA-N 429.521 1.667 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359224724 AOTPTIGLDWBTED-KRWDZBQOSA-N 427.509 1.633 30 10 IDEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCS(=O)(=O)NC 1359233938 WJDGBUZVBGDLSQ-UHFFFAOYSA-N 444.355 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1Cc2ccccc2C1 1359332159 QMJVSZJSEVVMTI-GOSISDBHSA-N 429.546 1.434 30 10 IDEE Cn1cc(I)c(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)n1 1361283175 CHVZJFLWTYZSKO-UHFFFAOYSA-N 433.213 1.788 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1454975289 JHHWLKHZRIXIJQ-PMPSAXMXSA-N 425.526 1.780 30 10 IDEE C=CCn1c(SCC(=O)N[C@@H]2CN(C)NC2=O)nnc1-c1ccc(Cl)cc1Cl 1466409304 BQFAAGMYEFLXPL-CYBMUJFWSA-N 441.344 1.991 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3cc(OC)c(OC)cc3c2)CC1 1467056186 BYSAIHWAXIAPGM-UHFFFAOYSA-N 432.502 1.474 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OC 1468872953 MDRZEMADJKKVMZ-HIFRSBDPSA-N 428.894 1.092 30 10 IDEE Cc1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1S(=O)(=O)NCC#N 1470491617 OWKBGBJCBSQGOL-GOSISDBHSA-N 434.562 1.512 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1471085029 ZBEQFZHXCSSQSP-NRFANRHFSA-N 428.514 1.704 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CN(c2ccncn2)C1 1471307869 FVUOUYCQTPZERW-UHFFFAOYSA-N 432.278 1.893 30 10 IDEE C#CCOCCN(C)C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1472437998 KOXPQUFKTUSXGI-JOCHJYFZSA-N 449.507 1.877 30 10 IDEE CC[C@H](c1ccc(Br)cc1)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1472690000 IEZZOFAKHMJIBQ-MRXNPFEDSA-N 432.322 1.981 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)CC1 1477911690 ATYSWZCHBCJPIE-QGZVFWFLSA-N 437.566 1.190 30 10 IDEE C=CCC[C@@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479379463 WGFMIRUOMCIPLQ-JKSUJKDBSA-N 425.526 1.946 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1499153888 JHGSOTREDTWMSH-QURGRASLSA-N 446.515 1.565 30 10 IDEE CCOCc1nnc(N2CCC[C@@](C)(OC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503079566 JNKMCLZYBXQOBR-IGCQWYOMSA-N 432.525 1.736 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1503580036 ZIZXFBLCEMUKCL-UHFFFAOYSA-N 440.533 1.225 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1507631624 RFEKZUOVRJIVAE-GDBMZVCRSA-N 438.504 1.741 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1507635479 WECPUJCXXKUSPS-GOSISDBHSA-N 442.520 1.601 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1507644901 PONMSCWSFDZOOI-NRFANRHFSA-N 428.514 1.227 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507657621 ULTQPFRAVVNUJI-HXUWFJFHSA-N 447.518 1.696 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1507669680 PLNFAUPRUTUOGE-IBGZPJMESA-N 428.562 1.547 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1NC(=O)CC1(C)C 1507711337 UHZFWAINESLZGZ-RBUKOAKNSA-N 439.516 1.791 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@](=O)CC)CC1 1507730927 ZFZFQZRRHCOBIS-WWOZWPLTSA-N 429.546 1.314 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N(C)C)CC1 1507741488 UYUHPZSNIWEUMA-UHFFFAOYSA-N 442.495 1.050 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1507964424 FRRPYTAXYVYDKX-PXNSSMCTSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1C(C)(C)C 1508097901 MDXIYWNBKXHMQV-UHFFFAOYSA-N 442.539 1.908 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(N)=O)CCCC2)C1 1508116338 RLIVSUJKITZNEG-HTAPYJJXSA-N 433.553 1.757 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cncn1 1508425994 DCBVJOJZEOJSJD-HXUWFJFHSA-N 448.579 1.530 30 10 IDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCc1ccco1 1508995972 IJDGTWYBXBGBGS-UHFFFAOYSA-N 434.504 1.904 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCCC1=O 1516538042 FJXVZJOJJARTLO-UHFFFAOYSA-N 439.520 1.752 30 10 IDEE COC[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518692564 DNZIQKJJEPTPHC-RWQQGDIJSA-N 446.577 1.914 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)nn1 1533892803 YKLMNAXSNVQDKL-UHFFFAOYSA-N 429.477 1.478 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1538970278 BSKUHCJWFZHMTP-HOTGVXAUSA-N 432.550 1.602 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)CC)c1 1539039244 ZYZQPWWRDZKXEM-QFIPXVFZSA-N 426.521 1.634 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539216651 UUGLFLSGURBBPM-LJQANCHMSA-N 430.578 1.699 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539221903 SLRIZZYYCZWUBS-MOPGFXCFSA-N 444.557 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)N2CCOCC2)CC1 1539444636 RZOOLLIKNKXIKU-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539462334 SYVWVOAIRBVXDZ-IBGZPJMESA-N 443.573 1.355 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539499539 MIDXXFBQNJSNIJ-LJQANCHMSA-N 439.566 1.810 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539947102 IJSXPWQIAREXIW-OAHLLOKOSA-N 429.529 1.305 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1540071784 HZYGLFGTWSODJR-GFCCVEGCSA-N 445.471 1.723 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(COC)CC1 1540869459 OAGRQKTXNKOBME-UHFFFAOYSA-N 430.509 1.561 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2F)CC1 1540873972 QCXNKNJCOBIQFI-UHFFFAOYSA-N 441.511 1.168 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1540889809 UNWBWKLEPSYQAK-OALUTQOASA-N 440.548 1.925 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1540896711 RXCZDDODTNVPTD-PKOBYXMFSA-N 447.561 1.801 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2cccnn2)CC1 1540900874 LDWZEADXCCUUBI-UHFFFAOYSA-N 440.533 1.058 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 1541866313 ICKHGRMDMBIZTE-LQWHRVPQSA-N 440.548 1.657 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1544338255 DCACAWIVAAPNJN-VWKPWSFCSA-N 429.546 1.849 30 10 IDEE CC[C@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1545503457 AQJKAAPURGUDNF-ZJYNUGOYSA-N 429.525 1.377 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 1546343735 FGMUKYJWRBSGIC-LJQANCHMSA-N 433.549 1.877 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1554299350 JVDNMONGDPMOGF-LJQANCHMSA-N 437.548 1.642 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(CC#N)CC1 1554510314 ASWFDOKXADWXAY-UHFFFAOYSA-N 436.513 1.675 30 10 IDEE COCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555723049 MIFCOBWFDVXTAY-UHFFFAOYSA-N 448.531 1.905 30 10 IDEE C[S@@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1555820310 BTSGMMMTSJJUTP-YVORESIASA-N 425.580 1.221 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1555993687 ASYDGXWALGSSSO-CQSZACIVSA-N 426.374 1.415 30 10 IDEE C#CCN(CC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1)C(=O)OC(C)(C)C 1556273228 NNGUGFXHXNLEPL-UHFFFAOYSA-N 439.509 1.852 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CC1 1558101948 AXULSZMKJCAZIS-UHFFFAOYSA-N 434.558 1.863 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@@H]2CCCO2)cc1 1558481644 SFKYFSXJLGHJSA-UHOSZYNNSA-N 436.530 1.724 30 10 IDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1561798420 HWANSXUMXBCKIC-QGZVFWFLSA-N 428.576 1.958 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](CO)C(=O)OCc3ccccc3)CC2=O)cc1Cl 1567184175 CQACCOHVSXPMCZ-LPHOPBHVSA-N 441.871 1.785 30 10 IDEE C#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1569856973 APUQTPGRYFFSBG-OAQYLSRUSA-N 441.553 1.307 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CS1(=O)=O 1583837188 MNARBZCKIZAOHB-CABCVRRESA-N 441.575 1.367 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCSC[C@H]3S(C)(=O)=O)C2)C1 1586613622 NFXXEZULEGAPND-YYHKSVKZSA-N 443.591 1.719 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1587639466 LXUOMRPZPQBVHL-IRXDYDNUSA-N 439.582 1.154 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC[S@](=O)CC)c1 1587697280 MGKBQESOOSPWIA-VPTFNQTCSA-N 429.546 1.954 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1587862060 SRHVCCBJLTVIAY-OAHLLOKOSA-N 438.579 1.160 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1588224091 OZDFSMMSONYCGZ-FGZHOGPDSA-N 446.555 1.307 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1588241464 QOLJCRJGIYEWRL-DQRAZIAOSA-N 429.484 1.253 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)C(C)C 1588628882 PPZFESLJTMCULP-IBGZPJMESA-N 438.532 1.949 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1C 1588645665 BABHVXPHGAQASJ-KSZLIROESA-N 439.582 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2nnc(C)s2)CC1 1588930232 QQROXGMQPJZZJA-KRWDZBQOSA-N 443.577 1.888 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCCO 1589142263 DRPNRPRNCFMJKB-FDDCHVKYSA-N 437.548 1.764 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1593747542 YNFVNJDURKGEQK-KRWDZBQOSA-N 436.582 1.760 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1594733557 VCXPZXVMIXGWQW-LPHOPBHVSA-N 427.571 1.583 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1594855342 BERBVJWSIBFPNK-UONOGXRCSA-N 430.575 1.671 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(CS(C)(=O)=O)CC2)C1 1595738430 OYJKQNJVIFLXMK-GOSISDBHSA-N 431.562 1.870 30 10 IDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1612453191 BBNJDFFCGHBBAB-UHFFFAOYSA-N 440.533 1.143 30 10 IDEE CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1613077255 OLLZEOCQXCDHEX-HSZRJFAPSA-N 440.548 1.957 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1614328593 CKNQRMASSZNSTA-KKSFZXQISA-N 446.577 1.838 30 10 IDEE CN(C)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617588418 FLVCVHSGVPTIAB-SFHVURJKSA-N 438.536 1.244 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1624628065 FHWNODLJFZWWNG-LSDHHAIUSA-N 431.555 1.046 30 10 IDEE Cc1cc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C 1624870577 LERGOSPVAPVQCN-HNNXBMFYSA-N 431.374 1.846 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 1633212223 ABCHNNWDVPNENB-UGKGYDQZSA-N 441.557 1.995 30 10 IDEE O=C(NO)c1ccc(CNC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)cc1 1635200758 NOJLLAHHSSHKIB-UHFFFAOYSA-N 425.413 1.455 30 10 IDEE C#CC[C@]1(C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)CCCN1C(=O)OC(C)(C)C 1644709476 OBVCFLCELMCCMC-OAQYLSRUSA-N 428.493 1.179 30 10 IDEE N#Cc1cncc(CNC(=O)c2cc(I)ccc2-n2cnnn2)c1 1645989714 IZBZYBMDKLCEMN-UHFFFAOYSA-N 431.197 1.464 30 10 IDEE CN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCC[C@@H]1C#N 1647994033 XRHWKBFJDRVJLO-UXHICEINSA-N 434.562 1.895 30 10 IDEE C#CCCN(CCOC)C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1675118102 OHUODJYREDOXSF-UHFFFAOYSA-N 434.541 1.855 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 1676350237 FDGAAWNIVLNJSE-KSSFIOAISA-N 425.532 1.805 30 10 IDEE C=C[C@@H](COC)NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1680388410 CANJNNCLGBNPPW-UONOGXRCSA-N 429.258 1.675 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(CN4CC[C@H](O)C4)cc3)C2=O)cc1 1682228028 YAKHEQVFUKZASB-XZOQPEGZSA-N 447.539 1.725 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CCO2)cc1 1683518269 SLEPZIWTRXZSCD-HKUYNNGSSA-N 427.482 1.876 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nc4c(s3)COCC4)CC2)cc1 1684298237 KAAUEVLOZVDGHL-UHFFFAOYSA-N 447.542 1.304 30 10 IDEE C#CCN(C(=O)N[C@H](COC)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1684848890 NSQCXXCGGAQZQK-HZPDHXFCSA-N 429.336 1.969 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cc(OC)c3ccccc3c2)CC1 1687782377 NIKDXEMFQFUWAT-INIZCTEOSA-N 430.530 1.704 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1689913770 VCYIHGSOCAGACN-HOCLYGCPSA-N 447.565 1.946 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689980931 ZQUVSLOMGVRXPP-ZWKOTPCHSA-N 437.610 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1690003560 QJPLMBFACAOLAB-UHFFFAOYSA-N 439.321 1.705 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCn2cnc3ccccc32)CC1 1690111983 OALPXEDMIJMPJA-IBGZPJMESA-N 437.548 1.807 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1690345688 ASYAVIBADWGQHC-HUUCEWRRSA-N 430.958 1.707 30 10 IDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCNC(C)=O)CC1 1690372340 KFGBLKLHGKVVJX-UHFFFAOYSA-N 431.566 1.921 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690674280 VMWGFPOTNHXOHI-SJORKVTESA-N 432.550 1.320 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)C(C)C)C1 1690700507 TVGHDPQWWBXGAO-QZTJIDSGSA-N 425.599 1.692 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1690706829 KUCWLWPRKLXZJG-IRXDYDNUSA-N 425.599 1.930 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)N(C)C 1692717307 JFHJKLVHBRASIR-JTSKRJEESA-N 426.521 1.675 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@@H](C)N(C)C)n1 1693194802 APNKPRPIGMOBBB-QGZVFWFLSA-N 448.579 1.839 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1696476244 CXRUDIXAKFDQOB-GOSISDBHSA-N 439.545 1.979 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1705608301 LZPFKOZMSJEUNU-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCC)CC2)CC1 1705648474 TUBBGHPCHMYEKB-SFHVURJKSA-N 447.605 1.726 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705652692 JGUTVPADLOQWQM-INIZCTEOSA-N 434.610 1.914 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1705728558 OGUPGTGCVDMUSY-XLIONFOSSA-N 439.582 1.511 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1705786086 FZTDTFSSDAXBOG-HNNXBMFYSA-N 440.614 1.843 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1705805764 NYWVBGCAFFHETO-DLBZAZTESA-N 441.598 1.971 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705894341 VUKBNQFVFFHPQQ-FFGOWVMKSA-N 432.569 1.177 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 1705901875 YQQMKVJJFVDILI-OAHLLOKOSA-N 447.337 1.930 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1705920721 DANZNGMGSJZWAZ-GOSISDBHSA-N 432.488 1.751 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCOC1 1709186733 YCDFUFQYHNPOKG-QUCCMNQESA-N 438.532 1.975 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1709850010 AOWFBTVTOKKPTK-SFHVURJKSA-N 449.519 1.688 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@@H](C)O1 1712283853 HRJYFGSZPGHIPJ-YLJYHZDGSA-N 441.532 1.988 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712882955 PDVXCAABKRAKOK-QTIQAUKSSA-N 425.493 1.786 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1 1722276230 GKGMHRFIRHOTLK-NSHDSACASA-N 431.298 1.746 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722324237 NPUUKWGJVYHLEB-RDJZCZTQSA-N 436.582 1.044 30 10 IDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722336422 WTSQOCGKUFTMKE-UHFFFAOYSA-N 428.562 1.517 30 10 IDEE C#CCCCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1722340561 CDJPHKAPPMCJKG-QFIPXVFZSA-N 443.552 1.747 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1722538029 SYCHWEVSWPVFKU-QGZVFWFLSA-N 427.571 1.584 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722561747 XSMDWLXJFNRAFH-OAQYLSRUSA-N 429.546 1.983 30 10 IDEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1728704898 CHIBSVMOIPJCQX-SJORKVTESA-N 430.513 1.568 30 10 IDEE COCCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1730801883 PCFSBALNXHEOQB-LPHOPBHVSA-N 430.509 1.283 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1Cc1ccc(C#N)o1 1730875205 MTYBVKQEIZDOEU-CABCVRRESA-N 429.481 1.071 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(=O)(=O)CC=C)CC1 1740699386 DNNJLZNFOSFXGI-UHFFFAOYSA-N 443.573 1.522 30 10 IDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740718099 HWCZKDBSFKSPMB-UHFFFAOYSA-N 432.594 1.876 30 10 IDEE C=C(C)Cn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1740786253 WWTMGINTYHNXNG-QHCPKHFHSA-N 446.596 1.641 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 1740870055 IDVMKYBLNGQNPE-UHFFFAOYSA-N 432.550 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740958177 KAZOPDXWVYQYEQ-HOCLYGCPSA-N 443.483 1.113 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC[C@H]1CCCO1 1742835097 CEKMJQRVNWXMPX-FUHWJXTLSA-N 426.525 1.549 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)N(C)C 1748790355 XMSRHBZEBAAUDJ-MSOLQXFVSA-N 432.569 1.996 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748819985 WGDQSHPRKPXITB-UYAOXDASSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748838978 KPBNNLCDDYHFJR-NRFANRHFSA-N 448.571 1.969 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nccnc1C 1748847932 YPXAXJHIQABIOB-UHFFFAOYSA-N 441.543 1.866 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2)CC1 1748989129 FYAWOSBOIIRFTR-RBUKOAKNSA-N 443.573 1.403 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCN(C)C2)CC1 1749010214 ILEIHEPUUFMIDF-XMMPIXPASA-N 436.560 1.286 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCCOC)C1 1749115681 UTFUPZVSOQISCJ-QRVBRYPASA-N 433.553 1.737 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749409734 ZMLHMDPVROCTQO-INIZCTEOSA-N 426.587 1.490 30 10 IDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1)C1CC1 1749508329 OMJFGKUWRYXUNS-JOCHJYFZSA-N 433.553 1.756 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749652602 QDXPOISXWPDWOU-LLGFUMIMSA-N 437.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749663994 CZFSQBSCKBWYIP-CALCHBBNSA-N 430.528 1.932 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1749669327 GWYGTSJIUYPHDP-MSOLQXFVSA-N 432.569 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1760104877 ITJNGOWVORXLBK-BBRMVZONSA-N 426.477 1.408 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2ncn(C)n2)c1 1760127779 MBZKEYUZJLZZCR-UHFFFAOYSA-N 441.499 1.497 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760152746 XPMFHFCOUJYSBU-UHFFFAOYSA-N 447.565 1.025 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760187320 CTVCNQOBQXFZSW-LPHOPBHVSA-N 428.562 1.450 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)c1ccccc1 1760193912 VMWMMJIXPIZNEN-UHFFFAOYSA-N 427.530 1.353 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1760260259 YGQPIQQOTKTDQE-IBGZPJMESA-N 438.532 1.063 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760278715 DZPJGSVQNOGHMB-QGZVFWFLSA-N 441.561 1.417 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760279912 BIQSHIFQGOYBKI-BRWVUGGUSA-N 425.624 1.466 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760441090 XYUIYGDTWFWFMQ-IKGGRYGDSA-N 427.571 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1760556854 RTGXJBUFFISGHB-GOSISDBHSA-N 431.562 1.480 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCOC1 1761221807 TXYFGEIGDNLAMD-CQSZACIVSA-N 425.493 1.378 30 10 IDEE CCCN1CCC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)CC1 1764430513 XSPSYLDXHHAIER-UGKGYDQZSA-N 432.569 1.781 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1766681984 BDNXAMULBYWLRR-MRXNPFEDSA-N 430.534 1.343 30 10 IDEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1768481084 BESLXDDKAZEUMD-RTBURBONSA-N 429.569 1.640 30 10 IDEE CN(C[C@@H]1CC=CCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1768762462 JEDNZZNYGCOWSR-GAVQXBFOSA-N 439.520 1.548 30 10 IDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1769226677 GVUJSHRQEFNKJX-OXQOHEQNSA-N 442.520 1.353 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1769368468 DFPLRZIHBVSDTR-CRAIPNDOSA-N 429.550 1.039 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cn2ccc(C)cc2n1 1770050215 JEZOJSNSYHLVIM-WMZOPIPTSA-N 425.493 1.735 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1770745906 FPLMYQFUGVTULK-MSOLQXFVSA-N 442.545 1.486 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(O)CC2)CC1 1770754476 GORNOZYLWUCBSL-UHFFFAOYSA-N 429.569 1.377 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCOC1 1771196187 YWTSDRNJCSYHMY-CVEARBPZSA-N 442.520 1.964 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1772567347 SNJBGTPKIXCMEF-GUDVDZBRSA-N 432.569 1.021 30 10 IDEE CN(C(=O)c1nc2nccnc2cc1Br)C1CN(c2nccnc2C#N)C1 1849837973 YFJRNGIWYRZEKG-UHFFFAOYSA-N 425.250 1.410 30 10 IDEE C=CCOC(=O)[C@@H](NC(=O)[C@@H]1CN(C)C=N1)c1ccccc1I 1852304788 WYJZVFZNKIYOQL-KBPBESRZSA-N 427.242 1.520 30 10 IDEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862131209 FDUBQXFYFFJXEN-UHFFFAOYSA-N 433.505 1.538 30 10 IDEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 1870143175 AMMMCJJARIKBKN-UHFFFAOYSA-N 425.474 1.829 30 10 IDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 1874338732 WOUBWWSUABUOHN-RTYWOJFRSA-N 432.506 1.176 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)cc1OC 1874430127 UBPBGDKOUZDYMM-SSDVNMTOSA-N 448.549 1.774 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1 1892016266 LTTUMPNEPVIZTO-OAHLLOKOSA-N 427.411 1.768 30 10 IDEE CC#CCN(CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1900624465 KHEXEUZBRNLQFO-CVEARBPZSA-N 425.526 1.591 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1912687864 SCOOUKRNLSINTE-UHFFFAOYSA-N 443.132 1.678 30 10 IDEE C=C(Br)CS(=O)(=O)NCC12COC(CNC(=O)OC(C)(C)C)(C1)C2 2006238350 HJFUYKYLJAZGOJ-UHFFFAOYSA-N 425.345 1.888 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539638 XSHQBKZSKUBWQM-ZWKOTPCHSA-N 446.353 1.972 30 10 IDEE N#CCN(Cc1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2241754391 CDWWIBFDURPSHE-GOSISDBHSA-N 431.470 1.722 30 10 IDEE C=C(CS(=O)(=O)NCCOCCN(C)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247895915 VXNJRENKGVDHLX-UHFFFAOYSA-N 448.391 1.977 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255626436 GFXLBLZCGFCGMM-ZSOGYDGISA-N 432.330 1.552 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255645273 GMIRROCFQJCBSS-GJZGRUSLSA-N 432.330 1.951 30 10 IDEE Cn1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830540 HPRLYIRTBAAFJJ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256628879 NURDLAKARCQEGS-LSDHHAIUSA-N 433.314 1.690 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 2267185406 UWGQGFOWWMBMEU-HUUCEWRRSA-N 446.357 1.658 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267263720 JNZKYOXLICCLIO-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H](NC(=O)OC(C)(C)C)C1 2267265032 ZSHODFBTOMNOPB-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267487723 QDBDLVWCVYQMAK-SQWLQELKSA-N 446.357 1.705 30 10 IDEE CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267491064 XLYYNBHRBVTKIA-FOLVSLTJSA-N 446.357 1.797 30 10 IDEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccncc1 2296623784 GSRXTMRXRUJFMD-LJQANCHMSA-N 436.468 1.900 30 10 IDEE COc1cc2[nH]c(C(=O)O)c(C=Nn3c(S)nnc(CCC(=O)O)c3=O)c2cc1OC 2321663803 WDNIXKOGLPRXNQ-UHFFFAOYSA-N 447.429 1.023 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)cc1O 2330748378 FAULXMYGMZQRDO-UHFFFAOYSA-N 444.473 1.209 30 10 IDEE C#CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc(S(N)(=O)=O)ccc21 9150920 CKUDPEHMYAAIJE-ZZEZOPTASA-N 449.535 1.128 30 10 IDEE N#CCCN(CCC#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9362685 VOSUSEUMNOZLJP-UHFFFAOYSA-N 432.502 1.286 30 10 IDEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)NCc1ccc(F)cc1 20291906 QXYCEWOUWXTKLT-LSHDLFTRSA-N 444.452 1.894 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1 32464364 OBOWZGCRMZFOCM-UHFFFAOYSA-N 440.504 1.516 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1 102747268 LYYBYYBPHSTYTH-HQMFNGAOSA-N 428.489 1.774 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)Cc2ccc(C#N)cc2F)c1 480719108 XJTRPHGGVNTPMC-UHFFFAOYSA-N 446.464 1.652 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC(C)(C#N)CC3)CC2)cc1 507831407 WUENCQNJMUYTQU-UHFFFAOYSA-N 446.573 1.760 30 10 IDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1 520064960 RNXRFSOBFQLPOZ-IBGZPJMESA-N 437.565 1.831 30 10 IDEE CC1(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 521481355 XQCNHNILNSNOHS-UHFFFAOYSA-N 427.896 1.592 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2nccs2)nc1C 526844552 JSCGJZKULPWQGQ-HHHXNRCGSA-N 428.517 1.577 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)c1 539598799 SNTDBGJGMMMUES-UHFFFAOYSA-N 436.493 1.530 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 540123278 PPGCENBKHVUHFY-KSSFIOAISA-N 431.518 1.176 30 10 IDEE CCOC(=O)c1sc([C@@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc1C 564504726 LJVNUIWNRNUFSB-GFCCVEGCSA-N 436.515 1.656 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1 575788829 RWSLVUWWLPRCJW-UHFFFAOYSA-N 443.547 1.034 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(CC)Cc1cn(C)nn1 581516877 BYXCHACFZKRZCZ-UHFFFAOYSA-N 435.580 1.984 30 10 IDEE CC(C)CN(C(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 603590718 YGIWGKWPLWSMIQ-KRWDZBQOSA-N 449.577 1.217 30 10 IDEE CS(=O)(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)C1 619851309 BFEAXDWCFORTDO-ROUUACIJSA-N 430.534 1.514 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)c(B2OC(C)(C)C(C)(C)O2)c1 694940692 BBXNCVPDTCTERM-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC(F)F)cc1 727416570 UKGMBTVIXLSJCU-UHFFFAOYSA-N 443.431 1.899 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@H]1CN1CCOCC1 732127363 INISSFCYEJRBHM-KRWDZBQOSA-N 434.562 1.219 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)CCN1C1CC1 732647925 MOZUNEACEFSJFZ-MCEIDBOGSA-N 438.576 1.190 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 734294096 CDICVZFDBVJBDF-ZSEKCTLFSA-N 446.529 1.808 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)ccc21 735771098 HVSJXWJZFLQTSG-UHFFFAOYSA-N 440.481 1.011 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)[C@H](O)C1CCOCC1)CCCC2 740972094 LGUHNWLBRQJEBV-HRAATJIYSA-N 445.516 1.687 30 10 IDEE Cc1cc(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)s1 744078906 BYQJKUQDNHWTTL-JTQLQIEISA-N 441.556 1.687 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@H]1C(=O)O 757548556 WJTDAVWNCXPXPP-PMACEKPBSA-N 447.447 1.634 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC(F)(F)C2)cn1 757916900 YJJRKCJYXVPQRD-CQSZACIVSA-N 428.509 1.700 30 10 IDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758646534 YVHUDSKJLHZCLK-YHULJHLLSA-N 435.502 1.910 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CC=CC2)C1=O 759696078 DWQBOHIASNIEND-KRWDZBQOSA-N 429.546 1.504 30 10 IDEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cc1 768422410 SFTXIEQJKBAPHX-KRWDZBQOSA-N 443.577 1.577 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1 771536230 CMMUKFMRUMNZMK-CQSZACIVSA-N 437.489 1.203 30 10 IDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1)[C@H]1CCS(=O)(=O)C1 774043992 OMQQHYPGTFAVNG-KRWDZBQOSA-N 427.548 1.883 30 10 IDEE C#CCN(C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@H]1CCS(=O)(=O)C1 774161674 GXTAVHWDWLIQCJ-INIZCTEOSA-N 444.479 1.901 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(Cc4ccccc4)[nH]n3)CC2)o1 792794899 RCHSALWARATXHI-UHFFFAOYSA-N 434.456 1.674 30 10 IDEE COC(=O)[C@@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 794712190 QOWAHXUISMSMAE-FQEVSTJZSA-N 433.461 1.459 30 10 IDEE C=CCC(F)(F)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 815045086 NPDBVCBJJZIISK-UHFFFAOYSA-N 436.502 1.443 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)cc1 1135332348 HCOJFJHAUONKDK-HXUWFJFHSA-N 437.475 1.016 30 10 IDEE CN1CCC[C@@H](N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)C1 1146621268 JJILYIISJQNBNL-LJQANCHMSA-N 446.393 1.995 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)c1 1147411363 WFUMSGBPTAAPCA-IBGZPJMESA-N 440.569 1.819 30 10 IDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 1192633998 CTXKPIOMGHBIHY-SMDDNHRTSA-N 434.392 1.692 30 10 IDEE C#CCCCS(=O)(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1213133493 QRGDZIUPGHPRRZ-KRWDZBQOSA-N 429.583 1.909 30 10 IDEE COC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(Br)c1 1235462013 FSZKENIPXUURMZ-QRTARXTBSA-N 442.335 1.716 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)c1C#N 1253401663 ODJUMPCPWWYKIC-SFHVURJKSA-N 428.518 1.102 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286322471 FIEMYHYXINDRHB-OALUTQOASA-N 449.621 1.673 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCNS(=O)(=O)CC)CC1 1286473077 OILFIMUXJYTCBK-FQEVSTJZSA-N 444.605 1.515 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1286507231 FKFYJHSODCJNHQ-UHFFFAOYSA-N 432.619 1.555 30 10 IDEE C=C(C)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286599696 ZVCPBXHFADZZHL-XHSDSOJGSA-N 434.541 1.576 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286689902 GJYCCHFKDKQDHR-SFHVURJKSA-N 445.612 1.952 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1288089147 RQCRLZJRSUZSNF-NRFANRHFSA-N 427.509 1.230 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCc1ccn(C)n1 1288154332 FLPCDWBXUYXWLM-UHFFFAOYSA-N 447.547 1.591 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1288997796 UMSQQRFYJSRQOI-PGRDOPGGSA-N 440.504 1.236 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)ccc21 1289349321 OBAACDJHDNYFGF-QFIPXVFZSA-N 432.480 1.797 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1291077634 DSXZQDJUHHYNBE-IIBYNOLFSA-N 444.561 1.449 30 10 IDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1298886097 CTDGXFCHAUTGIO-GQIGUUNPSA-N 438.573 1.743 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)Cc1ccon1 1300286715 NDIASGNDVUEDHW-ZDUSSCGKSA-N 449.924 1.559 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C2CC2)c1 1300332781 NVPSKWLWKCYGQP-OXQOHEQNSA-N 449.559 1.768 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1300532047 LIJCNKBGSLFEPW-UHFFFAOYSA-N 431.518 1.292 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1300544793 FZSGPHYJWKBSFH-QFIPXVFZSA-N 442.541 1.096 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)CC1 1300719320 WIUSNADXPPKNKX-QHCPKHFHSA-N 439.516 1.071 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300755612 YRDDXBWZEZGUKV-MRXNPFEDSA-N 436.607 1.747 30 10 IDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301226431 FEQFYKWEWQPBAB-UHFFFAOYSA-N 425.537 1.804 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1301339286 LJPPUXSOCIGWSG-GOSISDBHSA-N 431.504 1.963 30 10 IDEE C[S@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1302508144 HRSDXAWVXPBNBG-RXAIFQJESA-N 425.580 1.221 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCNC(=O)c2cccs2)cc1 1302991182 DAQCSZNNSHMMIE-UHFFFAOYSA-N 440.554 1.877 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1314633188 FYKYEJFRDXVJHU-HSZRJFAPSA-N 437.548 1.596 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1314874277 YIKPUINJLZJSKE-UHFFFAOYSA-N 429.550 1.064 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cccs1 1316209600 LFNAVMGOMCQKRI-GJZGRUSLSA-N 434.522 1.222 30 10 IDEE CS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1316348746 FBRVBHKKHOIKBF-UHFFFAOYSA-N 428.562 1.864 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2)NC(=O)NC1=O 1320309472 QIQZSEMYODHEEX-CVDCTZTESA-N 433.468 1.896 30 10 IDEE NC(=O)N=C1C=CC(=C(O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)C=C1 1338864409 IGWFZKNDJBKBHT-UHFFFAOYSA-O 444.537 1.115 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1358948453 CQZMYFHCTMLPPT-IBGZPJMESA-N 431.562 1.486 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358960541 GXHHJDPFFXSYHD-OAHLLOKOSA-N 432.575 1.648 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358962583 SHIOSINGUIGMIN-OALUTQOASA-N 437.610 1.877 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1358970906 AHABVMQTOMECJF-ZDUSSCGKSA-N 444.293 1.097 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCN(CC)CC2)CC1 1359040233 MSDDAPWTOVKZLD-OAQYLSRUSA-N 429.613 1.303 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)C2CC2)CC1 1359046023 AZGCYVMZGJWRGV-JOCHJYFZSA-N 442.589 1.761 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359077539 FEFUHRQUOYYGPF-CQSZACIVSA-N 434.360 1.126 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1359092173 XVLAVTPKCUCGGX-PFRQMTDMSA-N 439.582 1.486 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1359140680 IYINHJXGPFWQMW-CVEARBPZSA-N 438.960 1.634 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359157616 PFOKPVCVCFDCCB-RLFYNMQTSA-N 430.958 1.770 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C(=O)NC2(CCCC2)C1=O 1360161264 AUABYZJCRYTQOA-OAHLLOKOSA-N 444.540 1.409 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(F)ccc2CS(C)(=O)=O)c1 1445224374 YISJGGKQQZUVCV-UHFFFAOYSA-N 438.502 1.212 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 1456927705 CEVMWDUXZROXAG-OAQYLSRUSA-N 428.558 1.697 30 10 IDEE CCOC(=O)c1c(NC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)c(C#N)cn1CC 1466880316 ALDWYTJXKYMBBF-AWEZNQCLSA-N 426.495 1.224 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1468715262 KGAORLFBQMROKW-FQEVSTJZSA-N 442.560 1.870 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503708977 OLGNJGUBQCYRMV-BAOKRACBSA-N 437.504 1.290 30 10 IDEE CO[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1503968280 BIIFFLUEPBKFLR-SJLPKXTDSA-N 431.518 1.502 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1507520267 BXEDYJNVOXTIJE-OYHNWAKOSA-N 429.521 1.495 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507577145 OLKFIMPYMWMIQN-UHFFFAOYSA-N 439.911 1.347 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CC 1507647044 ADYMEUDDBXXZTD-SFHVURJKSA-N 439.589 1.795 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1507724529 RQFRNDDRCIFYAF-QFIPXVFZSA-N 425.606 1.456 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2ccnn2)CC1 1507737906 CUHVMPQKONCCEW-GOSISDBHSA-N 426.525 1.167 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(SC)CCN(C)CC2)CC1 1507738413 OMKRGMSYESNEDG-UHFFFAOYSA-N 430.622 1.949 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1508061138 LEDXPHPBSUTRCG-GOSISDBHSA-N 432.550 1.081 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2OCCC2(C)C)C1 1508118505 XLPQXAWRPHHGIX-BZUAXINKSA-N 427.571 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1508146448 XTNTVCOIOZEYIJ-LJQANCHMSA-N 438.642 1.294 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509633073 CGPVDKPRERWVCH-UHHPSXQGSA-N 427.509 1.179 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CCOC1(C)C 1512565028 GNCRXVOQZHVICT-INIZCTEOSA-N 444.561 1.856 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1515122371 MZWGTWNPPFBIAO-DLBZAZTESA-N 440.460 1.369 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C#N)CC2)CC1 1515903209 GGGLPMMUFTYZHZ-HXUWFJFHSA-N 439.612 1.906 30 10 IDEE CCN1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1515919433 WLJJLZMKPAHOEF-BSBNDGSWSA-N 438.536 1.340 30 10 IDEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1516746853 QUEOVJKYNRLHHJ-GOSISDBHSA-N 444.561 1.415 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1517702592 RPANJLWVWOBWED-LJQANCHMSA-N 440.504 1.901 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCC(=O)N1CCOCC1 1519264138 XRNNMACYGXYCLB-QGZVFWFLSA-N 434.541 1.381 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1521155164 QBNHKEKDUOCVNC-MRXNPFEDSA-N 446.533 1.220 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1539071847 FZSKBEYXRWPNAE-FXAWDEMLSA-N 434.566 1.545 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539206969 YFJLVCPUIOPAAG-RBUKOAKNSA-N 447.561 1.188 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1539445974 MICXCYKWWHSPIS-UHFFFAOYSA-N 428.562 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2OCCC2(C)C)CC1 1539477405 LMKOBQXPFTXAKH-SJORKVTESA-N 428.537 1.010 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1539514182 OVILAXWCKLZTRC-OALUTQOASA-N 441.557 1.880 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1539576860 CJKXKXDYOAAEBS-GJZGRUSLSA-N 440.342 1.807 30 10 IDEE C=C(C)COCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1539758260 FHVZWPXVTITAIU-APWZRJJASA-N 428.555 1.146 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1540046970 CGYQYGWVSKIPPD-CQSZACIVSA-N 441.579 1.103 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1540136533 IRBFZSFFLNBXBE-GCJKJVERSA-N 428.512 1.628 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1nccs1 1540869287 IBFOHPBJIITJKG-UHFFFAOYSA-N 436.501 1.989 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3[nH]c4ccccc4c3C#N)ncnc1-2 1543058863 YYHASMRBTMVXDQ-UHFFFAOYSA-N 439.277 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 1545840183 WOBPRBKYKAOETK-WMZOPIPTSA-N 448.545 1.672 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1552709046 IHEDTUXZLFFXQQ-HSZRJFAPSA-N 437.548 1.596 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCOCCS(C)(=O)=O 1554162616 DRPZGKBXCRAEGA-UHFFFAOYSA-N 441.517 1.304 30 10 IDEE COC(=O)[C@]1(N2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)CCOC1 1560012770 YFGARIVJJPQWBS-VGSWGCGISA-N 446.573 1.969 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1564964339 AVRLTGYFKBWNAC-JKSUJKDBSA-N 428.470 1.351 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2CCOC2)c1 1587692615 GXPCYQWZTJBLLS-PKOBYXMFSA-N 436.516 1.712 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCC(=O)N2CCOCC2)CC1 1588891574 RDHUBLKYNFCFQZ-KRWDZBQOSA-N 430.553 1.006 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1589215986 ILOCVJHOUCLIBA-HNAYVOBHSA-N 441.623 1.745 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)C1 1595823797 SNKLCMHEYQLCKN-UHFFFAOYSA-N 433.534 1.011 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CCO1 1596665570 BCJDNKSKOUCELB-GOSISDBHSA-N 426.502 1.785 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccn3nnnc23)cc1 1596924484 BLFDIGOIQIGXIJ-OQKWZONESA-N 427.490 1.970 30 10 IDEE CCN(CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1615368124 HVXJGVILOBORJO-MMKMLUHNSA-N 445.612 1.909 30 10 IDEE Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1B1OC(C)(C)C(C)(C)O1 1624368507 RSGGUYOBKSAWFY-UHFFFAOYSA-N 436.321 1.878 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)NCCCC)s1 1624704167 XLJJWGMFSAXEDD-AWEZNQCLSA-N 431.605 1.573 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCC4(CCOCC4)O3)CC2)cc1 1627077775 AEWROUSIBBYCRP-IBGZPJMESA-N 447.557 1.803 30 10 IDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1627233135 XINAMFKKVUFPOE-SFHVURJKSA-N 440.525 1.205 30 10 IDEE C=C(C)Cn1c(SCC(=O)N(C)CC(=O)N2CCN(C)CC2)nnc1-c1ccco1 1630943614 YPEBPNDYQFFDKB-UHFFFAOYSA-N 432.550 1.439 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1 1632965852 FEOFULFRCLNWSX-UHFFFAOYSA-N 428.514 1.132 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C(=O)OC 1634175296 YRGMIRVARYXOGG-IAGOWNOFSA-N 425.445 1.062 30 10 IDEE N#Cc1cn(CC(=O)NCc2ccc(Cl)cc2I)c(=O)nc1O 1634231978 CZSSOCIPJWLQRL-UHFFFAOYSA-N 444.616 1.395 30 10 IDEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)ccc1C#N 1635041100 WUSKONOLFACUGH-UHFFFAOYSA-N 443.529 1.429 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)n1 1635721078 DPHOOBQMGUWTNO-UHFFFAOYSA-N 433.553 1.480 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)cc1 1635802565 SFQXRMBTQIBBOK-UHFFFAOYSA-N 425.470 1.537 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1636966797 FQCWCZOQMMRGJI-RBBKRZOGSA-N 439.487 1.877 30 10 IDEE CN(C)c1cnn(C2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 1637682179 BHZSLEMILDITPV-HXUWFJFHSA-N 449.515 1.889 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCCOCC2)CC1 1638598390 DLIBKLIGPSHVEL-UHFFFAOYSA-N 434.562 1.219 30 10 IDEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1640269057 CXLHIPMNGCCQRH-UHFFFAOYSA-N 427.408 1.235 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1640664925 MKOQOKIAYOACCL-UHFFFAOYSA-N 449.352 1.051 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1642035130 PVWSWPAOECSGFL-PBHICJAKSA-N 446.451 1.380 30 10 IDEE C#CCN(C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C1CCN(C)CC1 1645261144 BCALEEZLOGMOQM-UHFFFAOYSA-N 425.576 1.002 30 10 IDEE O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039777 UVDCEHFXYDYONO-HTQZYQBOSA-N 435.271 1.556 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cccc(F)c2I)CC1 1660575062 NFHXWCHXABXKKL-UHFFFAOYSA-N 437.278 1.016 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CN2CCCC[C@H]2C)CC1 1666274116 PRTXJZKPWBXAAO-LJQANCHMSA-N 447.605 1.356 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)CC1 1681010426 NTQLJMHHAYKHMQ-UHFFFAOYSA-N 436.515 1.305 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1F 1683175405 YNNAKXYKJGCPFF-UHFFFAOYSA-N 447.448 1.822 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689862676 DWUCLIONWZNAEY-ZWKOTPCHSA-N 431.562 1.905 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1690102473 LRNLIJZVRDICIQ-IEBWSBKVSA-N 436.516 1.368 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1690204804 TVKDIQUWINTIMF-OXJNMPFZSA-N 448.549 1.272 30 10 IDEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1690437790 PBFMSMDHXUZNGU-UHFFFAOYSA-N 442.612 1.952 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690526662 BJTABZAYSFXHSF-CQSZACIVSA-N 441.554 1.096 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1690674133 PXTKKYJNXPXGIO-UHFFFAOYSA-N 428.562 1.865 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(CC)nn(C)c2OC)C1 1690694675 TWNIVXXVJZDERQ-INIZCTEOSA-N 426.525 1.813 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1698456154 YZISAYMKHCEPMB-LSDHHAIUSA-N 434.522 1.155 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1COCCO1 1705591225 JUFJDHSAZZKTEE-SFHVURJKSA-N 428.514 1.227 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2ccnc2C)CC1 1705634586 CLWOARZEGKVZLI-QFIPXVFZSA-N 427.553 1.279 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)C(C)C)CC1 1705641931 ZLFRPRYSADIWCJ-UHFFFAOYSA-N 433.560 1.878 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCOCC1 1705680436 ARNCZVCTMVFYGL-LBPRGKRZSA-N 436.376 1.660 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1705908845 ILPIWDIRFMCCKB-QGZVFWFLSA-N 438.532 1.794 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC[C@H]1C 1705932246 QRRNTDHFPNNXMO-QGZVFWFLSA-N 442.545 1.957 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1 1705974118 GRRJAPBRYFLUFJ-PMACEKPBSA-N 435.532 1.996 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(F)(F)Br 1706850812 WVBXYKOKSONZPJ-RKDXNWHRSA-N 429.291 1.614 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712596790 XEZDXXJXGHQZQC-HSALFYBXSA-N 427.505 1.598 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1722275159 CERJTDGPCHQYCH-HOTGVXAUSA-N 429.550 1.786 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1722365865 PTJKLRGXIUGWRT-IRXDYDNUSA-N 425.624 1.467 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722368347 QFXIXGZNXYVFTG-OTWHNJEPSA-N 435.594 1.631 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCN(C)C2)n1 1722427321 IKHAOQOVZYEACF-JOCHJYFZSA-N 429.569 1.125 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)CC)CC1 1722438769 BEDSCSHBTYMVIA-UHFFFAOYSA-N 435.981 1.712 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2F)CC1 1722442076 XNJIFHOMZMLKHM-UHFFFAOYSA-N 440.523 1.878 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1722466995 KBQWHHSCZQXSKC-GXFFZTMASA-N 440.314 1.868 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1722473661 GZNQNDWSWLLORC-BKVQYAJGSA-N 426.608 1.720 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1722629139 GDRKJBCILWLTES-QGZVFWFLSA-N 436.582 1.760 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722629362 KEMLDLJMKONZFI-ZWKOTPCHSA-N 438.536 1.751 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722691430 QFFXBOMBQNHSHD-OYHNWAKOSA-N 444.511 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(=O)NCC)C1 1722713076 DAUKXDCDWBLLAY-OAHLLOKOSA-N 444.536 1.949 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1723067870 ZJSVOPHLVSAKOX-JIQGDJCJSA-N 443.552 1.669 30 10 IDEE CC[C@@H](C)N(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1727084014 BLUPLKQWDMQJGD-ZFMNYDKASA-N 445.612 1.909 30 10 IDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1729142878 BNMFYIZHPPGNEM-SFHVURJKSA-N 446.577 1.961 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1729700017 OLAJMGNALVHVOY-QHCPKHFHSA-N 435.532 1.790 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740566322 SERKHCBRFZUMLP-SFHVURJKSA-N 445.545 1.103 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCCO)c(OC)c1 1740598720 BAIVCGFHSMTKBE-UHFFFAOYSA-N 436.472 1.423 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OCC)c2ccccc2)CC1 1740698359 DQCCBGXDKMHUDB-NRFANRHFSA-N 436.560 1.934 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccccc1)N(C)C 1740899436 MKGYJQGAMCQRHK-RTBURBONSA-N 448.593 1.536 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C(N)=O)C1 1740951905 QBCGIOLTKQIUME-IAGOWNOFSA-N 426.521 1.649 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1741002106 GAZYARHSLUOTCO-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 1747656006 FHUVYVFDJVBETG-DLBZAZTESA-N 431.518 1.389 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)NC(C)C 1748889269 HJNPRQNPWLOOHW-UHFFFAOYSA-N 429.546 1.744 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@@](=O)CC 1748959959 BUALSVLIWQDLND-PMERELPUSA-N 428.518 1.449 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 1749000564 XVSCIIHGXNGFJE-NRFANRHFSA-N 431.537 1.619 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCO[C@@H]2CCOC2)CC1 1749009453 JDOVFFJQURFGIB-WOJBJXKFSA-N 445.564 1.334 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1749560225 JNCXJCQPMXDURL-ZWOKBUDYSA-N 439.582 1.795 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCc2ccccc21 1749669436 KUUZBHIKSDOKLH-FUHWJXTLSA-N 429.546 1.606 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749729764 RHWVVUXBSJKJPE-PBHICJAKSA-N 449.508 1.620 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(F)(F)C1 1749730368 BFPBBRSIVYLNPU-UHFFFAOYSA-N 429.449 1.452 30 10 IDEE CC(C)CN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1750842955 BHNDTABPBVEDFN-MRCUWXFGSA-N 441.536 1.062 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O 1760103193 AKEFQTPKSGSELL-GFCCVEGCSA-N 426.340 1.715 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1760209999 LLXYCSFLNGDURP-MOPGFXCFSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1760219363 CEADVZKHLNIVSW-WOIUINJBSA-N 446.573 1.371 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1760249779 SWMMBQOUQBEQJL-OAHLLOKOSA-N 449.508 1.044 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1760260111 VZVSSICIVYENIM-UKPGIYTDSA-N 441.601 1.854 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1760282306 ZVBXBOHPZZNPRZ-INIZCTEOSA-N 439.607 1.029 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760283937 CONPKSWDUFALRX-MRXNPFEDSA-N 429.550 1.842 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760316728 WHXCRNHHDKHVGW-RTBURBONSA-N 441.598 1.445 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNS(C)(=O)=O)C1 1760538532 ZRHFHHJTDIAIPT-INIZCTEOSA-N 425.942 1.929 30 10 IDEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 1768086560 FINKJPWVWARXCZ-IBGZPJMESA-N 444.561 1.760 30 10 IDEE COc1cc(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1768303773 ABBSKGFVZMCYQG-NRFANRHFSA-N 439.451 1.605 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1769350024 UNDUOHITKFDMBK-IBGZPJMESA-N 439.520 1.474 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1769566670 DVHPCOZBUVWUGR-KNQAVFIVSA-N 429.521 1.990 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1770110292 PMUWSWUYUVIFQM-UHFFFAOYSA-N 441.532 1.990 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1770156950 MIZWTFIHAWEDSM-UHFFFAOYSA-N 439.520 1.474 30 10 IDEE COCCN(CCC#N)c1nnc(C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1771109362 NLLVVPJZVKHYCA-FGTMMUONSA-N 434.541 1.977 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 1849476895 SDZXTXPXFAOZLC-UHFFFAOYSA-N 429.498 1.915 30 10 IDEE COc1ccc(N(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)C(=S)N=CN(C)C)cc1 1851190573 RHOKKBRUCLGPFB-CQSZACIVSA-N 428.518 1.690 30 10 IDEE CC(C)(C)C(=NOCCCN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853559632 VCKGAYNSCQWBQA-UHFFFAOYSA-N 438.550 1.558 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1854249130 LDFJYDKWISFKCE-ZWKOTPCHSA-N 436.509 1.342 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)[C@@H](C)C2=O)CC1=O 1854609465 BNBUMIQNLIIWRP-UONOGXRCSA-N 439.921 1.123 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)C(C)(C)C2=O)CC1=O 1854716809 FRYOXAVBSUHYRU-KRWDZBQOSA-N 433.530 1.000 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(F)cc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734416 OMVWSEMWIXQXMO-CYBMUJFWSA-N 433.436 1.827 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(F)c(F)c3F)C2)CC1 1857042480 YVZLVJMGKJNKOO-LBPRGKRZSA-N 429.420 1.658 30 10 IDEE Cn1c([C@H](C#N)C(=O)CN2CCN(c3nc(O)c4c(n3)CCCC4)CC2)nc2ccccc21 1859428415 ZCFDGRYZQIMLBZ-QGZVFWFLSA-N 445.527 1.946 30 10 IDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)C2)c1 1889518440 NTLCLDBYYLQRCQ-JKSUJKDBSA-N 441.513 1.292 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)CC1 1891096801 WTQCJUCSIHHGCE-UHFFFAOYSA-N 444.551 1.204 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1 1891882083 VNUDUMMKWJHSRN-LJQANCHMSA-N 444.488 1.783 30 10 IDEE N#CC1CN(S(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)C1 1978686337 MUZGXBIGRZFZBS-UHFFFAOYSA-N 426.542 1.748 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 2010383426 CQTLEPGPJJGYQZ-ZDUSSCGKSA-N 446.289 1.911 30 10 IDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248396104 VIDHBWICBZLNKH-CYBMUJFWSA-N 441.359 1.598 30 10 IDEE C[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255622996 HYUGKSUDSNIQDZ-CQSZACIVSA-N 436.362 1.952 30 10 IDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255824699 MWISYLNRNRYJOC-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CN1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@@H](CNC(=O)C(F)(F)F)C1 2255852482 FFTXFGPZPZSDBM-MJBXVCDLSA-N 433.280 1.680 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255876712 PPWYEOMVCCYFJE-UHFFFAOYSA-N 436.318 1.047 30 10 IDEE CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255877366 WWZIOMPUNJWXGJ-QFIPXVFZSA-N 428.342 1.918 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2256065238 XBJUHQJYEHVZLP-KGLIPLIRSA-N 432.330 1.904 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2267183272 FTQXVFGKCDHPCO-LSDHHAIUSA-N 446.357 1.943 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267595141 VONRXKQKXJOGMI-HNNXBMFYSA-N 449.357 1.729 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267606322 WEWMEJZNXHBFIM-CQSZACIVSA-N 449.361 1.443 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267607665 AMVRLUWFMMVPTR-UNEWFSDZSA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2268652554 HMMOEOMNYLEVKD-GOSISDBHSA-N 446.353 1.756 30 10 IDEE CN(C1CS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282309892 MLTNKRGQAIMCKD-UHFFFAOYSA-N 441.789 1.118 30 10 IDEE C[C@H](O)CN(CCO)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312365 VOLWCBGAWKTPEP-JTQLQIEISA-N 425.765 1.065 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CCC3(CC2)OCCO3)OC1(C)C 2282846148 FLFXYLLYHMLSFS-UHFFFAOYSA-N 427.303 1.653 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(OC)c(O)c1 2329035240 QLLPTNRBCXGTAG-AWEZNQCLSA-N 447.517 1.864 30 10 IDEE N#C[C@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@H]1CCO2 2364288480 OEGYDTKAPZNABO-IERDGZPVSA-N 431.514 1.787 30 10 IDEE Cn1nc(Br)c(Br)c1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367736908 RVDIIONTNMXQJW-MRVPVSSYSA-N 426.130 1.949 30 10 IDEE CCOC(=O)CSc1nnc(N)n1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 40174116 MTYZBGAQMPZLSI-UHFFFAOYSA-N 426.462 1.212 30 10 IDEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)[C@@H](C)n1cnc(C#N)n1)CC2 409674700 DXZSXMWODRFHGL-CQSZACIVSA-N 426.477 1.209 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)C2=O)cc1 436728553 AXPLTRUHOPNOGW-UXHICEINSA-N 432.480 1.786 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 438056206 QPSIZEIECWYLGL-CRAIPNDOSA-N 438.506 1.592 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1=O 440270881 RIJBWAPYFCBSMT-SFHVURJKSA-N 436.516 1.855 30 10 IDEE C[C@](O)(Cn1ccccc1=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 468275656 BSKIBZQUNWJFCK-QFIPXVFZSA-N 438.463 1.127 30 10 IDEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCO[C@H](C#N)C2)C1=O 474446338 OUDFCBGHNBBFIM-KURKYZTESA-N 428.489 1.604 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1cccs1 480213162 BDOGKFRVGYNITI-UHFFFAOYSA-N 439.562 1.675 30 10 IDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 481715686 IZYGBENQPWPNEL-RCCFBDPRSA-N 434.562 1.499 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(C)n2-c2cccc(OC)c2)CC1 492335713 HTDWONWNYMANEC-UHFFFAOYSA-N 444.561 1.123 30 10 IDEE C=CCn1c(CCC2CCCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508830532 ZFVFMMRXOXIHCK-UHFFFAOYSA-N 430.597 1.958 30 10 IDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508845584 CGERBJOCRHWKTL-GFCCVEGCSA-N 446.313 1.754 30 10 IDEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508913506 OUTGYNAVVZXMHO-UHFFFAOYSA-N 449.559 1.604 30 10 IDEE COc1cccc(CC(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 513784877 AXUWNZFGPCINTH-UHFFFAOYSA-N 427.526 1.727 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2nc(-c3ncccn3)no2)cc1 524103593 LGVQJQMVJIVKHU-HNNXBMFYSA-N 435.469 1.871 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CC1 524366047 LHPPXLSMHIEEDE-FQEVSTJZSA-N 433.516 1.757 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 533202153 ODWOYYNLUQKBAB-UHFFFAOYSA-N 431.583 1.872 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(OCC(F)F)n2)CC1 535506952 IWWFFVFAGKDQOT-UHFFFAOYSA-N 436.440 1.744 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)sc1C 538005839 URQKNLDXXQFDHW-UHFFFAOYSA-N 425.557 1.932 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 539373864 GNTVWQDMPSRRFT-JOCHJYFZSA-N 447.518 1.623 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 541143271 GKGWFAWXBFSABP-MRXNPFEDSA-N 442.907 1.517 30 10 IDEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 559005626 QRCIQQGSYCQKRT-UHFFFAOYSA-N 436.538 1.122 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 561948001 LLMSVZQFRHQQPP-MRXNPFEDSA-N 439.969 1.857 30 10 IDEE N#Cc1cc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)ccc1Oc1ccccc1 614611517 JIOCRNWBOIIALY-UHFFFAOYSA-N 442.497 1.831 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725775243 XXUBTNHHVDAXGW-VWLOTQADSA-N 445.523 1.978 30 10 IDEE C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)N(C)CCC#N 729286446 ROPWPYFSCGMGAA-HNNXBMFYSA-N 436.534 1.454 30 10 IDEE CC(C)CN(C(=O)COC(=O)c1cc2ccccc2n1CC#N)[C@H]1CCS(=O)(=O)C1 729767394 HDZBFKSBVWHAGW-KRWDZBQOSA-N 431.514 1.993 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)cn1 732562513 DNKRNBPMBGBMND-UHFFFAOYSA-N 446.536 1.262 30 10 IDEE CC(C)(C)CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 733058235 FKYALOZLZNHINY-UHFFFAOYSA-N 427.548 1.451 30 10 IDEE C[C@H](CS(C)(=O)=O)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 733202318 QAFLITOJVIHKIC-MLGOLLRUSA-N 434.543 1.592 30 10 IDEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc12 744007739 RFOOECURETUCMP-LBPRGKRZSA-N 445.526 1.579 30 10 IDEE Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 751364922 RBIGRVYIDLMHQP-QGZVFWFLSA-N 429.521 1.828 30 10 IDEE COC(=O)[C@H](OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C#N)c1 755188228 VHVNGMIRNIJQGH-FUHWJXTLSA-N 445.472 1.831 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 758051015 VZDFDZJYLFNFPZ-UHFFFAOYSA-N 440.908 1.840 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cncs2)c1=O 767880267 LXGDDHIEFSXFDK-UHFFFAOYSA-N 427.507 1.407 30 10 IDEE CC(=O)N1CCN(C(=O)[C@H](C)ON=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 769842310 NDVXQLSZWNAMTJ-HNNXBMFYSA-N 447.536 1.427 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NS(=O)(=O)CC2(C#N)CCC2)cc1 771079389 LISXGINCDHYMLW-UHFFFAOYSA-N 443.547 1.236 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C1=O 771436480 CWMQYQUTRGWSMH-VXKWHMMOSA-N 442.472 1.122 30 10 IDEE COc1c(Br)cccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 774519530 FTCNCMFZRGSYBF-AWEZNQCLSA-N 446.326 1.887 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@H]1CCCO1 782588152 IRNWJVURYSCGOG-CQSZACIVSA-N 442.566 1.228 30 10 IDEE CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1F 783319997 IZAARLISBCRADT-HNNXBMFYSA-N 426.456 1.197 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1C#N 787853425 FLEUWZVKNAKVMF-JOCHJYFZSA-N 449.555 1.678 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)C1=O 798545986 LPCYFVFMGKEHKT-KSFYIVLOSA-N 428.489 1.016 30 10 IDEE CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801972991 HJWKQILPQGZEEZ-SFHVURJKSA-N 443.577 1.604 30 10 IDEE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 810351272 ODBFSCPNIPTZED-LJQANCHMSA-N 442.497 1.475 30 10 IDEE N#Cc1c(CCCNC(=S)NCCN2CCOCC2)nn(-c2ccc(F)cc2)c1N 916013544 ZNLKIJBBQMCPGW-UHFFFAOYSA-N 431.541 1.194 30 10 IDEE COc1ccc(C)cc1N1C[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1=O 916178891 SOTLNBBUUUIUJW-KRWDZBQOSA-N 427.482 1.874 30 10 IDEE N#C[C@H](C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)Nc1ccc2c(c1)OCCO2 916964785 AMKLXOSXKKLFFK-WXRFYESLSA-N 444.513 1.831 30 10 IDEE C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1163598188 HXDHMJGUYPFSAD-CYBMUJFWSA-N 429.336 1.859 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CCOCC3)CC[C@H]2CO)s1 1178471001 QUXOXEDFZKEDNY-HNNXBMFYSA-N 428.576 1.535 30 10 IDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 1191334223 ZQMNFSKGVSICGG-UHFFFAOYSA-N 434.539 1.476 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)[C@H](C#N)C1 1194203438 GLAIYFYEDHWXRX-MRXNPFEDSA-N 436.534 1.151 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1211916199 SSCHJLAOCMKWRO-KGLIPLIRSA-N 428.454 1.539 30 10 IDEE C=CCC1(O)CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1221821556 PGPUKMACTQTSBI-SFHVURJKSA-N 430.553 1.395 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1286385723 ZKAKPLPWTLESRM-SFHVURJKSA-N 436.497 1.788 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1286387527 GCCCIYLWSMZKMF-YESZJQIVSA-N 434.518 1.013 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1286387710 UOAZSUNGUWTLNR-IIBYNOLFSA-N 448.520 1.516 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1286392040 AGYCIUNXKWPSHK-MRXNPFEDSA-N 437.591 1.703 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCNc2ccccn2)CC1 1286493751 GKPVQRTYHWDYMZ-LJQANCHMSA-N 437.548 1.993 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)OC)C1 1286564499 VRJZTXLRGIPHDX-VMXHOPILSA-N 434.537 1.983 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1286607843 KLSRDQSOTIWVEN-MOPGFXCFSA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCc1cnccn1 1286783821 MWRPLZGWZBQFGZ-UHFFFAOYSA-N 435.488 1.487 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCCNC(=O)c1cccc(O)c1 1286961819 XZMFFABZGNQOIU-OAHLLOKOSA-N 427.509 1.538 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1294213399 YYHILPRBGXMTOG-NUJGCVRESA-N 447.536 1.764 30 10 IDEE CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCN(O)C3=O)c2)cc1 1298426363 PPWGIOYXGPPXDJ-IBGZPJMESA-N 447.513 1.939 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1300358535 XVZJILWHYSQGCD-INIZCTEOSA-N 443.577 1.709 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300499884 ZGOKGCHSHTVAMU-JMQGSBJISA-N 434.587 1.394 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300501539 LZASGZLERFKYMP-IBGZPJMESA-N 441.557 1.384 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1300672044 UFPOLSCIXVWRHR-ZWKOTPCHSA-N 430.530 1.270 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NC(C)(C)C)CC1 1300691441 YVQWSQFCEWYQNI-UHFFFAOYSA-N 438.532 1.734 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2c(C)noc2C)CC1 1300700441 PLHRPAODRVBWBO-CRAIPNDOSA-N 446.577 1.344 30 10 IDEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301168911 WPKUMRHBNNEPTG-FQEVSTJZSA-N 439.582 1.246 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)COC(=O)N2 1301491649 MNEJLOMXMUFVIE-UHFFFAOYSA-N 426.477 1.335 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)OC(C)(C)C1 1301497437 WRBUUQOLDFOVHF-CQSZACIVSA-N 437.504 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1C(C)(C)C 1301596303 KSVLBXYJGQZZKT-MRXNPFEDSA-N 426.583 1.951 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C 1303735573 FFNYVUROBZYHQN-IKGGRYGDSA-N 448.593 1.937 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCn2ccnc21 1303848472 ILBXQSGUAPYKKP-TWOQFEAHSA-N 446.581 1.792 30 10 IDEE CCc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1306085181 BEOFTLHGBRJVFL-MSVBSMQLSA-N 438.488 1.643 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)OC)CCOC1 1314118280 DPRAUKVBNXMBLA-JOCHJYFZSA-N 442.520 1.890 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccn(C)n1 1314224653 FZXKVHPHOTVZCJ-SFHVURJKSA-N 437.504 1.961 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1CCC(=O)N1CCOCC1 1316099643 AKMJMUVXLYGJEK-UHFFFAOYSA-N 430.484 1.700 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 1327640385 HGUIAXNUEXAIMZ-LSDHQDQOSA-N 439.493 1.917 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1358904575 HBGLHFCQJCREED-INIZCTEOSA-N 436.582 1.141 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1358934885 PTHNDVLNRAFIJK-UHFFFAOYSA-N 433.534 1.361 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1358949914 RDJBQPYXKAFPFC-QGZVFWFLSA-N 436.557 1.234 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1358961365 XJIQIWCITDHWNI-UWJYYQICSA-N 445.545 1.081 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359043251 NMUALQQACLZLGO-AZUAARDMSA-N 440.548 1.301 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1359297676 YGQNURCIDMINTN-UHFFFAOYSA-N 425.537 1.191 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1359297812 CRQKOXGSHUPUCS-UHFFFAOYSA-N 431.504 1.179 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359299525 HGXYJFGXFVENSY-INIZCTEOSA-N 428.493 1.030 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 1359305796 NAHLVRMIZNNJMS-HOTGVXAUSA-N 434.541 1.877 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)C1 1359312032 MHYNVAUBNMDRPZ-INIZCTEOSA-N 438.554 1.465 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)CNC(=O)c3ccc(C#N)cc3)O2)C1 1453617711 NJCXTYIOFOGLRU-QGZVFWFLSA-N 428.489 1.573 30 10 IDEE C#C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1ccc(F)cc1 1478779642 FUWRVJQDPNKRNV-SFHVURJKSA-N 445.472 1.644 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1(C(N)=O)CCOCC1 1505075690 SGFXYDYZGCVCPX-ROUUACIJSA-N 446.552 1.414 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC 1507531323 CZMCXVHYUBUULO-MRXNPFEDSA-N 431.566 1.345 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507617355 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IEWXMAHTPPGXNL-UHFFFAOYSA-N 439.520 1.911 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCCNC(C)=O)CCOC1 1616152054 WFHDUQWCBMWYQQ-JOCHJYFZSA-N 426.521 1.964 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)[C@H]1c1cnn(C)c1 1618150307 XFXQPIYLLTXAFY-VAMGGRTRSA-N 435.509 1.827 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCS(=O)(=O)CC1 1624911846 AJMXJGGIGKJIJU-UHFFFAOYSA-N 448.545 1.139 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cc[nH]n1 1626044134 LCEVRHRYRZYNQT-AWEZNQCLSA-N 437.497 1.599 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CC1 1627015207 LNDGUCXBRKFMFY-UHFFFAOYSA-N 432.565 1.592 30 10 IDEE C#CCCN1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 1627318813 MBYNSXVLFWKBKR-UHFFFAOYSA-N 438.569 1.916 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)CC[C@H]32)CC1 1629918495 HSSUYNCHVSJLGW-QZTJIDSGSA-N 442.520 1.894 30 10 IDEE N#CC[C@]1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 1630965695 AYHBAQBPBACQLM-QFIPXVFZSA-N 425.510 1.924 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccsc2)CC1 1632961315 VPTPPUHKICSSAH-UHFFFAOYSA-N 432.527 1.226 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1636719645 KXBSINZASBONEP-UHFFFAOYSA-N 432.527 1.262 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1638849320 ZFRYUGYTMDINKN-KRWDZBQOSA-N 428.466 1.368 30 10 IDEE CCN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)[C@@H](C)C#N 1643951789 DUOAMMBKJPEJHZ-YRUBURHZSA-N 446.554 1.967 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](n3ccnn3)CC2)CC1 1643996288 UCUUOPPUVDRTAF-SFTDATJTSA-N 425.512 1.853 30 10 IDEE CN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCC[C@@H]1C#N 1647994035 XRHWKBFJDRVJLO-WOJBJXKFSA-N 434.562 1.895 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)c1 1648711174 DXTPCYQEPZTNOS-UHFFFAOYSA-N 436.530 1.461 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(Br)ccc3C#N)CC2)C[C@@H](C)O1 1650622725 RKNYMSZLOAVZRO-OKILXGFUSA-N 443.367 1.797 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN(CC(N)=O)C1CCOCC1)CCCC2 1654661529 DZWGPEPAEMUGNY-QGZVFWFLSA-N 443.548 1.322 30 10 IDEE Nc1nn2c(=O)cc(CN3C[C@@H]4[C@@H](C3)C(F)(F)C(F)(F)C(F)(F)C4(F)F)nc2[nH]1 1654968842 VTHSWDDMBBGORM-RNFRBKRXSA-N 432.275 1.603 30 10 IDEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H](C)CN1CCO 1659063986 HQBVBFSRKYWLNF-GUDVDZBRSA-N 443.592 1.743 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)nn1 1664570355 AIFZKGPFMROOEI-UHFFFAOYSA-N 428.312 1.972 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)nn1 1664907192 QCOHDMSQSRZKHD-GOSISDBHSA-N 433.534 1.932 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1674888805 ZFORVBJQUICAPP-DBHNTLKXSA-N 437.537 1.903 30 10 IDEE CN(C)CC#CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1685772376 HVONFTMFZNRWPQ-RBUKOAKNSA-N 449.596 1.489 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689977792 CWALCLAHZKGGRJ-RDJZCZTQSA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689986836 XUSKENFZFJJTJI-QRWLVFNGSA-N 429.502 1.401 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1689992476 LENZSOMPMHFBEV-HXUWFJFHSA-N 443.573 1.330 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(F)cc1 1690019762 QWSTUYYZYRQNIU-IRXDYDNUSA-N 430.505 1.860 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690022623 LXMYOHCWHOJHKW-NRFANRHFSA-N 433.560 1.279 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nccc(C(F)F)n1 1690092839 YKSROCLLWCKNHC-UHFFFAOYSA-N 442.430 1.787 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@@H]1OC 1690104310 SMFHSVOLBXLUKB-QMMLZNLJSA-N 442.516 1.928 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)CN2CCOCC2)CC1 1690128784 JUEAOWKQQYOCEY-IBGZPJMESA-N 428.606 1.654 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1690175278 TZEPSSLPABGANR-SJORKVTESA-N 441.623 1.602 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690228886 HSZFUQUMMDBLKH-JKSUJKDBSA-N 426.359 1.849 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690247668 DINFTTFUMOIQAI-AOIWGVFYSA-N 425.599 1.930 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@](C)(O)CC)CCN2C1=O 1695776801 HNIIUXFKWRRSEE-JTSKRJEESA-N 437.504 1.450 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)nn(C)c1C 1698058414 GZOXTUJCOUPATL-UHFFFAOYSA-N 437.508 1.691 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1705531419 JIRKIHSYWYCPEP-INIZCTEOSA-N 443.577 1.614 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705567789 ZQWJDNSAQIEAED-BLIXFSHQSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705570044 LXRAPLVZMDAMQV-HUUCEWRRSA-N 434.484 1.825 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705907567 QJHRYYBRLMJFIK-QGZVFWFLSA-N 429.569 1.013 30 10 IDEE CC(C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1706274507 JRTPWQONPQFGKI-KRGDBVFUSA-N 438.554 1.186 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)cc1 1712879454 AUIJYZVIRFKYCK-OAHLLOKOSA-N 433.438 1.637 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1722382483 HQYAQJCHNNDLTK-FQEVSTJZSA-N 435.532 1.330 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1722449329 ULRLFTWJTAUFGA-HZPDHXFCSA-N 434.541 1.619 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722493899 LFNAOJDFMCVYMS-NMLBUPMWSA-N 446.596 1.554 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722542933 BPAIQMNGKGIBAM-UHFFFAOYSA-N 439.992 1.596 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1722721644 KIFKZPWNNIPBCG-SFHVURJKSA-N 429.496 1.648 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1740549576 MBABEEWIXDDDIV-UWJYYQICSA-N 436.560 1.692 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1740567918 XUVPVXGPXOEKJU-KRWDZBQOSA-N 446.581 1.117 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740628244 WUVCFIOYPGHZFY-BEFAXECRSA-N 426.608 1.361 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740628622 RZBJNQZGWWETLM-RZQQEMMASA-N 434.518 1.257 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1740668114 CWROSVZMYJRXTM-OAQYLSRUSA-N 435.576 1.901 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccco2)CC1 1740697484 GHRVFYGCPVERMX-UHFFFAOYSA-N 425.514 1.745 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740697571 JRYMTPXYYCUTHA-ZHRRBRCNSA-N 447.486 1.842 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949400 FZYFTRRMRWDGIK-QFIPXVFZSA-N 434.585 1.495 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740962001 OWOLHENPICAWRJ-AZUAARDMSA-N 439.564 1.113 30 10 IDEE CCN(C)C(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745890329 AAMTZWPXTPVLKL-INIZCTEOSA-N 425.541 1.332 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C 1748648636 ACJHAOMICOSXLR-INIZCTEOSA-N 441.561 1.744 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748818408 ZMFJIRHRPZOTJK-HOTGVXAUSA-N 436.484 1.735 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1748892326 NQHKPVIKKOAPOK-WOJBJXKFSA-N 431.606 1.908 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1748979426 ZJVAUJOVBDWJHZ-UHFFFAOYSA-N 433.965 1.931 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCN2CCCO)CC1 1748994735 PGFMXASNQBEUFB-HSZRJFAPSA-N 436.604 1.665 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1749427724 TXAGPEWJVHABIM-JKSUJKDBSA-N 427.571 1.581 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749668892 FZVBRKFNZKBMFU-OAGGEKHMSA-N 434.541 1.434 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCN(C)C2)C1 1749718772 IAEHIPLDTPBKRZ-VGSWGCGISA-N 431.512 1.844 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(C)=O)CC1 1749724510 KFTZSLSXZAWGTJ-UHFFFAOYSA-N 443.529 1.961 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1750385128 CRGKSKKCRAUXDY-GJZGRUSLSA-N 425.459 1.853 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccccc1 1750418099 HWMRNJZXVRIYBP-LSDHQDQOSA-N 447.499 1.799 30 10 IDEE C[C@@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1752193953 DPPHCUPPXXIWMD-GOSISDBHSA-N 437.548 1.596 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C)n(C)c1=O 1760112318 DZQGCMQTKXLLPJ-QGZVFWFLSA-N 446.559 1.965 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760182594 GSDUACWECVRBNW-HNAYVOBHSA-N 437.953 1.781 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1760187949 MGIJZNFSCRBPRQ-IAGOWNOFSA-N 449.602 1.725 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(C(=O)NCC)CCC2)CC1 1760270562 ZFBGQHQBBKXTDW-SFHVURJKSA-N 442.564 1.054 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2cccc(F)c2)C1 1760526512 AWZVXWQICPDVEP-KRWDZBQOSA-N 426.496 1.836 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760565895 HFHWFVLFFMGVAM-CVEARBPZSA-N 436.607 1.827 30 10 IDEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1767180308 GDZZCQMZJVNYCL-UHFFFAOYSA-N 442.501 1.381 30 10 IDEE CCOCc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1767919319 QGXFCQGPUKYFOP-DBROBJPSSA-N 430.509 1.489 30 10 IDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1768570538 NKUIFWHNQGUWPY-DVSFIDLUSA-N 439.545 1.732 30 10 IDEE Cn1ccnc1CN1C[C@@H](F)C[C@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1C(C)(C)C 1769045549 AMOUCNADVUYBFK-ULQDDVLXSA-N 430.532 1.650 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1769367085 WBKKUTJOTDGHHG-CRAIPNDOSA-N 429.550 1.039 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)CC1 1848941369 DGQVHEITHAAQHG-UHFFFAOYSA-N 435.521 1.990 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2c(F)cccc2Cl)C(=O)C12CCCC2 1854401812 TXNKETWBQBCXCC-UHFFFAOYSA-N 427.885 1.859 30 10 IDEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855810889 UZEKTWIUWSDRAJ-ZDUSSCGKSA-N 432.889 1.977 30 10 IDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1=O 1856466572 VKJBMOVVJMNCLJ-SJORKVTESA-N 438.937 1.466 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1856697143 SRXGBZWNIYTNGX-INIZCTEOSA-N 425.938 1.740 30 10 IDEE COc1cccc(/C=C/C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1OC 1860727737 CVNUUPIVGXBWSG-KPKJPENVSA-N 432.454 1.750 30 10 IDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)cc(Br)c1O 1874436290 UPKFILYBBIFJBQ-CNHKJKLMSA-N 444.311 1.358 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)[C@H]1c1ccc(C#N)cc1 1889716260 CYOILHUJDQUIKO-ZSXPUABSSA-N 428.558 1.229 30 10 IDEE CCn1c(=O)c2cc(S(=O)(=O)NCC#CCN(C(C)C)C(C)C)ccc2n(CC)c1=O 1890562808 STROCIZEEUYKDG-UHFFFAOYSA-N 448.589 1.604 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060627318 HVOSJSXEHPCRMD-KNCOVGOOSA-N 435.330 1.273 30 10 IDEE CC(C)(C#N)N1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164487058 IZLOLRWFKTUQNK-HXUWFJFHSA-N 436.509 1.260 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)n1 2255608918 QINFSDDAPGZOER-QFIPXVFZSA-N 425.342 1.509 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2CN(Cc3ccccc3)C2)n1 2255799361 HDXLNCJBECROSO-UHFFFAOYSA-N 446.382 1.130 30 10 IDEE CC(C)(C)OC(=O)N1CCC(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)(C(N)=O)CC1 2255821346 CERDXXYWSPVKRR-UHFFFAOYSA-N 437.346 1.984 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2256675559 HSVFUTCWFWBVIT-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE C[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267103223 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C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ncc(Br)cn1 432527108 PDCNFRBAAIJMFE-NEPJUHHUSA-N 431.298 1.882 30 10 IDEE COC(=O)CC1(NCC(=O)N(CCC#N)c2cccc(C)c2C)CCS(=O)(=O)CC1 439261917 OHIYYYWDXNBXQT-UHFFFAOYSA-N 435.546 1.650 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CC1 441085026 CRPIUTOTAHHEIR-UHFFFAOYSA-N 429.521 1.047 30 10 IDEE N#CCCn1ccc(NC(=O)C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)n1 444512070 QOZPMKMMMRGMGX-SFHVURJKSA-N 440.891 2.363 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)o1 471194841 FUASWUFLBQJTHS-UHFFFAOYSA-N 429.542 1.126 30 10 IDEE C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)C1CCOCC1 481219846 HDHPQEGTMFIIJM-SUMWQHHRSA-N 437.543 1.381 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(COC)(C(=O)OCC)CC2)cc1 485080626 QLVXMYRSJDBEOU-UHFFFAOYSA-N 431.489 1.359 30 10 IDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c2C1 487680371 ULZFRVLXWLFDAR-HXUWFJFHSA-N 434.544 1.870 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491609744 KCYOGTNYLOKLIT-UHFFFAOYSA-N 442.566 1.504 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNS(=O)(=O)c2cccs2)cc1 503739270 SLTMKQOFGHHRDC-CQSZACIVSA-N 436.540 1.438 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)CC1 522319129 JEANPJCAOLQGBG-UHFFFAOYSA-N 443.592 1.537 30 10 IDEE COc1ccc(Br)cc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548042660 DXRHGNJJDCBRNN-UHFFFAOYSA-N 442.295 1.690 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2F)CC1 549280776 TWNJWRYESWDJJO-LJQANCHMSA-N 444.511 1.842 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 581076707 ANGJXUBXRPQBDZ-GOSISDBHSA-N 435.594 1.985 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)CC1 604186684 NBARIRVZCUUVDE-UHFFFAOYSA-N 436.516 1.463 30 10 IDEE CCn1nc2c(cc1=O)CN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)CC2 610283568 HBBHDECDQCDCML-UHFFFAOYSA-N 426.521 1.587 30 10 IDEE C#CCN(C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 729330759 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OOKFKEIJVSTGEI-MMOPVJDHSA-N 431.562 1.764 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300863217 KXMWSIXKIFZQQR-YXWQFLTLSA-N 440.342 1.626 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1301043826 DVNIICJVVQLILA-AWEZNQCLSA-N 446.986 1.765 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301502348 GCMKHJZWGGGOGK-OYHNWAKOSA-N 447.486 1.834 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C 1301520724 MSNCOZHOKOIARJ-HOTGVXAUSA-N 434.541 1.877 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCN(C(C)=O)CC2)C1 1301553109 DXGGLBHZCMGISL-IBGZPJMESA-N 427.553 1.229 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301587100 MGFHKNXQOOYHQJ-FUHWJXTLSA-N 435.550 1.105 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1302312107 WAWJJTZRLBNNLX-FHWLQOOXSA-N 440.504 1.072 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)cc1 1302996651 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NJPPHLZLGJOJET-QHCPKHFHSA-N 437.548 1.501 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1358890417 PAIVHYVINCRSPS-VQIMIIECSA-N 447.561 1.320 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358965232 QNDZYOPMALKAON-UTKZUKDTSA-N 434.537 1.796 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOC1=O 1359006915 NSYKULPFVFLEHU-UHFFFAOYSA-N 445.549 1.540 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC[C@H]1OC 1359021565 TXDAFEYGYNLFPT-FXAWDEMLSA-N 428.489 1.811 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2CC(=O)N(C)C)n1 1359027844 XZNOXBSELAPKOF-UHFFFAOYSA-N 425.493 1.417 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1359039173 YVPWQHYYVNDGOG-UHFFFAOYSA-N 449.559 1.646 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359169317 CHCGTVOCSGZPSE-KSZLIROESA-N 439.582 1.583 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359632600 KWKXWABBCZMHJY-MJGOQNOKSA-N 429.569 1.511 30 10 IDEE C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1456203779 CKQVUNJPKIMYLG-DINDLPBHSA-N 430.313 1.508 30 10 IDEE C=CCn1ncc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C(N)=O)cc3)cc21 1456531662 GIAYLKKEXFMMKF-ZDUSSCGKSA-N 427.486 1.627 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)cc1F 1470669079 ZLWFIVBGWCZSTE-QAPCUYQASA-N 443.928 1.989 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)c1 1472963163 TVPARKFBZUJIAP-CQSZACIVSA-N 447.542 1.214 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Cl)c(OCC)c(OC)c2)CC1 1477517778 AZZREAMDCQXGME-UHFFFAOYSA-N 444.941 1.042 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1478283911 CBVGIZHKUVOPGZ-QWHCGFSZSA-N 443.488 1.932 30 10 IDEE Cc1cccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1492521745 UJDBEMOWFFLAAS-HTXNQAPBSA-N 425.518 1.728 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1494183763 CYJXKSKMVDWRKX-WJAJBTJISA-N 444.536 1.701 30 10 IDEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC 1500112131 GWGKLMWNXRBXCL-VQTJNVASSA-N 426.521 1.973 30 10 IDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CC[C@H](C(F)F)N2CCOCC2)cn1 1503648601 DIYZBDYHRYWREW-QGZVFWFLSA-N 434.495 1.775 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCCCCCO)cn1 1503650017 GZEUGVTVGROBAV-UHFFFAOYSA-N 435.536 1.825 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C 1507519896 KZWYRLHXPXVBEB-OAHLLOKOSA-N 427.534 1.685 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1507534527 QGFDCTPPEFFYQR-YYWHXJBOSA-N 436.560 1.692 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507564799 WYIXTEJRFVUCBT-GUDVDZBRSA-N 435.594 1.141 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1507591367 KZIHGBUCMUNDIO-QZTJIDSGSA-N 439.582 1.072 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507636108 YWITWGBYYSPYII-BHIYHBOVSA-N 429.546 1.316 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507636564 AKPHTNYPAATFHM-PKOBYXMFSA-N 430.530 1.813 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1507651675 AZRALRMFWHZBLT-QGZVFWFLSA-N 431.562 1.044 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnn1 1507662991 QEMRWGWZUOHLKZ-UHFFFAOYSA-N 437.529 1.493 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1507714215 JWTDKLPTXANUAM-IEBWSBKVSA-N 440.548 1.825 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CC=CCO2)n1 1507715699 BJEMCHKJGDGTTN-WOJBJXKFSA-N 426.521 1.957 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1507719531 BQWWOCIVIBHDDX-UHFFFAOYSA-N 426.484 1.114 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCCS(C)(=O)=O 1508079541 YIYVWRODVWDGJU-UHFFFAOYSA-N 442.545 1.666 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1508085326 UDFZTUQUYBPLSB-GOSISDBHSA-N 425.537 1.451 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508144227 SEBFBZWQDLYUTE-INIZCTEOSA-N 439.582 1.935 30 10 IDEE CC(C)c1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509003948 XJPCAVBUMZSYAF-XUTLUUPISA-N 427.553 1.993 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c(F)cccc1F 1510217594 IAZUQQJFOFDLQK-OLZOCXBDSA-N 440.476 1.138 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1512403849 GLRPHMRTILCVHS-UZUQRXQVSA-N 438.532 1.973 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(=O)(=O)CC 1515957403 AFVVNHPUGDAHHI-UHFFFAOYSA-N 446.577 1.850 30 10 IDEE CN(C)C(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1538988820 OJXCFPQDIJZJBG-JQHMZKTJSA-N 433.553 1.006 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1539015846 WEWSNXKOQVWXKN-HOCLYGCPSA-N 437.591 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC 1539266076 LSXWWDKPWBYPPE-HTAPYJJXSA-N 431.537 1.820 30 10 IDEE CCN(CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1547422632 BSDITZKTIJVVSA-GPMSIDNRSA-N 425.603 1.749 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1554420182 AIDWEXMDEIQRMY-GOSISDBHSA-N 433.520 1.540 30 10 IDEE COCCN(C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1555524255 BOBWAZDQTUNNTB-KRWDZBQOSA-N 436.463 1.853 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(N2CCOCC2)CC1 1555631953 HSALLWVNIQMQMM-GOSISDBHSA-N 432.569 1.997 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OCC 1561828767 YHGDURDXEFNENO-INIZCTEOSA-N 430.910 1.512 30 10 IDEE C#C[C@@H](NC(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1)C1CCOCC1 1563912627 ULCILVWRNWYNJC-OAQYLSRUSA-N 448.608 1.991 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 1568100117 KVPQRIGUMQLZJY-IBGZPJMESA-N 440.521 1.893 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 1583778229 ZJARICSQKPKJEZ-UHFFFAOYSA-N 426.271 1.628 30 10 IDEE COc1ccc(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)nn2C)cc1OC 1585137920 BIFNGRUDOJLETB-XOBRGWDASA-N 430.486 1.115 30 10 IDEE CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(C#N)nc1 1585294654 VNXQHCFSRMHYKM-CQSZACIVSA-N 429.458 1.925 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)[C@H](C)COC 1586112997 NHLXIHLZFLOZMT-OAHLLOKOSA-N 442.534 1.907 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587822965 HSJNGPQYQLHCON-LJQANCHMSA-N 431.500 1.997 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1587861266 IYMVBIZZBOZNCG-IRXDYDNUSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588054948 QKQYCXIVFLFIIZ-DLBZAZTESA-N 437.566 1.061 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(OC)OC)c2)CC1 1588811289 FJMUEBFARFZEJM-HXUWFJFHSA-N 425.533 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCCC2(C)C)CC1 1588885828 ZRJXZKSEATZNRJ-HSZRJFAPSA-N 444.580 1.323 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1594614823 ASGPRASPEKTULB-LJQANCHMSA-N 443.596 1.720 30 10 IDEE C=CCCOCCn1c(N2CCN(c3ccc4nncn4n3)CC2)nnc1C(C)(C)C 1594829265 GINYGTBAEALXFN-UHFFFAOYSA-N 425.541 1.933 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1594857957 URLLGORFLFHTAV-KRWDZBQOSA-N 432.594 1.959 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1)C(C)C 1595171286 SGGSAAHHAQAARR-QZTJIDSGSA-N 434.610 1.497 30 10 IDEE N#Cc1cn(CC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c(=O)nc1O 1596301057 GREONHLGLRMSOU-UHFFFAOYSA-N 436.255 1.112 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncccc2C(=O)c2cccc(Cl)c2)C1=O 1611486425 LRYCILIAUDYITR-UHFFFAOYSA-N 426.816 1.881 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C(C)(C)C1 1611671203 NVEMVBADICOJJI-INIZCTEOSA-N 436.534 1.598 30 10 IDEE CN1CCN(C(=O)CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1616217947 BVYFRVNZFMFZHW-UHFFFAOYSA-N 434.338 1.037 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)cc1 1618299531 CUXGPRSXJDYLOF-KRWDZBQOSA-N 425.576 1.912 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H](C)C#N)CC1=O 1619927292 DJFOPKPMWAEQIU-HZPDHXFCSA-N 441.492 1.944 30 10 IDEE CSc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)ccn1 1620230993 GYWVUYDVVOPVJY-YVEFUNNKSA-N 439.542 1.495 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)C1 1620346036 QDNLUFXFAVUBEB-FOIQADDNSA-N 429.456 1.563 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 1622702106 XASTVDYIZIMUDH-IBGZPJMESA-N 433.530 1.592 30 10 IDEE N#Cc1cn(CCC(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(=O)nc1O 1623808441 CFIDJRBPLKQUCM-LJQANCHMSA-N 437.500 1.341 30 10 IDEE C[C@@H]1CN([C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)c2c(F)cccc2Cl)CCO1 1624769217 CNROFUHDUYARFL-WBMJQRKESA-N 449.870 1.191 30 10 IDEE C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1626708354 LJXVGFLKLHTYBU-MAUKXSAKSA-N 431.537 1.902 30 10 IDEE CC(C)(C)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1629485315 LSZPGTKBSQUDKP-SFHVURJKSA-N 432.546 1.428 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)OC)cc1 1636771150 DCNOKBCPFXPDAD-OAQYLSRUSA-N 432.473 1.641 30 10 IDEE CS(=O)(=O)CC1(CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1636873801 ZOPQTWSDKGPLRZ-UHFFFAOYSA-N 447.517 1.853 30 10 IDEE COCc1ccc([C@H]2COCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 1638856649 ZCFHGWQQMKYGFE-KBXCAEBGSA-N 433.486 1.565 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C1CCOCC1 1640925921 VKXQKKOESHDCFQ-JBACZVJFSA-N 434.558 1.479 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCn1cc(CO)nn1 1642103293 UGEXZVBGIIVEGA-IBGZPJMESA-N 440.504 1.683 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OCC 1642682997 JXHAJFIXIDVPFU-KRWDZBQOSA-N 444.937 1.636 30 10 IDEE C#CC[C@]1(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1643551817 IEAWTDHZKWIEPN-GBXCKJPGSA-N 448.608 1.692 30 10 IDEE CCN(CCC#N)C(=O)CN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1648133241 UWEHPTDMVHBJMF-BBWFWOEESA-N 435.525 1.263 30 10 IDEE CC(=O)Nc1ccc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C(F)(F)F)c1 1654975820 WTQIKZVDCHUUBI-YVEFUNNKSA-N 444.435 1.472 30 10 IDEE CN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)nc1 1661442707 IFWCBQRFAVQUBF-UHFFFAOYSA-N 428.518 1.994 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1666799233 CHFXLBIEDPJVCW-OAHLLOKOSA-N 441.351 1.424 30 10 IDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCOCC1 1685736821 DAFZUJQLFXOWCO-UHFFFAOYSA-N 426.926 1.676 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOCC1 1689959785 MXTCZRCOQKMSFJ-UHFFFAOYSA-N 431.566 1.030 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1689980496 SRCIDSQUIPRXET-MJGOQNOKSA-N 447.561 1.381 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1690053869 KAYCISYFTFZSAR-KRWDZBQOSA-N 438.557 1.647 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOCCN(C)C)CC1 1690125115 BJAOLHAXACGGHQ-UHFFFAOYSA-N 432.519 1.481 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC(=O)NC(C)C)CC1 1690133677 PJTVZWONGATWKG-UHFFFAOYSA-N 440.548 1.536 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690309920 NTYFQCRBGXBPCS-MSOLQXFVSA-N 429.525 1.232 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690722763 UWSOEIGNLXNSFT-MRXNPFEDSA-N 432.550 1.467 30 10 IDEE CC(C)(O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691356799 CEOMJPCPEAJEQY-GOSISDBHSA-N 425.537 1.926 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1692562674 DNXJOYHLDBRFBM-INIZCTEOSA-N 443.502 1.848 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1695019510 WDIUBFDPKOWJNK-XOMICKMZSA-N 443.552 1.813 30 10 IDEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1OC 1696116328 FJHMIADVUWPFAI-FCHUYYIVSA-N 444.511 1.861 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1696442660 IKWZSYLRIKJUCI-UHFFFAOYSA-N 449.563 1.737 30 10 IDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1697665334 GWNALGZHGWROGT-IBGZPJMESA-N 427.505 1.885 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1705551159 IAFDPUBAUQUBPI-IBGZPJMESA-N 431.562 1.540 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC1(C(N)=O)CCOCC1 1705625441 KJEPROHSXGLBOF-UHFFFAOYSA-N 449.490 1.796 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCO[C@@H]2CCOC2)CC1 1705642896 KVGDPFQOGVXNJL-LJQANCHMSA-N 443.523 1.947 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705663985 HSEAUSYNSVESIP-HXUWFJFHSA-N 443.621 1.807 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C 1705716525 NPMSLFMUNRURRP-KURKYZTESA-N 441.598 1.686 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)C)C1 1705844225 XYGPGUBCSYRYRY-ZWKOTPCHSA-N 440.614 1.354 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705899383 QMQMPVISQIUUHA-QHCPKHFHSA-N 435.532 1.420 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1705904581 SHNCKYSLZGZHLH-UHFFFAOYSA-N 434.903 1.898 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705925697 SRFMZYVRBNONFT-KSZLIROESA-N 439.582 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCCC1 1705936814 ZBLIVYHOFMOYQD-KRWDZBQOSA-N 444.623 1.798 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1 1705974119 GRRJAPBRYFLUFJ-UXHICEINSA-N 435.532 1.996 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)CCOC1 1706068238 GWSVDAYMIAKHEM-KXBFYZLASA-N 425.555 1.492 30 10 IDEE Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1707912529 XDQDLXPPKDJOCX-WMZOPIPTSA-N 425.537 1.916 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1709900555 CAPSBNBWQZRDRI-NRFANRHFSA-N 442.545 1.310 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1711963053 ZHTWUVOIFIYXES-AYAKEVCGSA-N 438.488 1.705 30 10 IDEE COc1ccccc1Cc1nnc(N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711984574 RWJXQHOFBCCDMG-MRCUWXFGSA-N 438.488 1.241 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1712166879 ASNLWRRBRMVSGB-QUCCMNQESA-N 428.512 1.960 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1712522184 QDNXVIVCWPKOJH-NVXWUHKLSA-N 440.570 1.166 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1722294491 WZZQTOPWIODPOV-UWJYYQICSA-N 436.560 1.692 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)C2CC2)c1 1722310109 SOAONMKQRRXJHZ-RBUKOAKNSA-N 436.516 1.710 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722337899 BQHYNSWYGMDSKR-UHFFFAOYSA-N 438.532 1.986 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722360670 BWCCIZWHWDLBTG-OAHLLOKOSA-N 448.545 1.360 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1722413956 TYZOCYJYLRNDRL-FGTMMUONSA-N 439.582 1.132 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722437717 WFFVEOZTVBHVBK-FQEVSTJZSA-N 430.597 1.510 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722453453 SZGQVDJTBMDDJZ-OAHLLOKOSA-N 427.596 1.186 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1722508443 LJQOLNHCIIKZLM-KSZLIROESA-N 434.566 1.531 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722527512 LSZKQMREKVQMGK-OAHLLOKOSA-N 427.465 1.159 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722535602 LMYXANRXHGNYGG-NJNPRVFISA-N 433.553 1.766 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccn(CC)c2=O)CC1 1722574185 HBAFQSIHRLLPMQ-HNNXBMFYSA-N 434.566 1.521 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722629431 KOHWRIXBJSMHAH-QKLQHJQFSA-N 440.566 1.157 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1722668997 IJTGUGBPHHTUHK-UHFFFAOYSA-N 433.516 1.897 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1722728926 ZWDHBHJALSXJSY-FUHWJXTLSA-N 447.536 1.963 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1723066155 QIVYRJHSSDZYBZ-WOJBJXKFSA-N 438.532 1.973 30 10 IDEE CCC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1727942121 CTCFPHBZIYTHMP-KRWDZBQOSA-N 439.520 1.864 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1729201949 BHSUFXNZKLWNJN-CQSZACIVSA-N 439.563 1.522 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CC1 1731009714 CYZRGZAHDKFUTM-UHFFFAOYSA-N 443.558 1.793 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)C1CC1 1740637311 XRPUJUOOQPJVEU-SFHVURJKSA-N 426.546 1.736 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1740686391 RWKBJTYNSFTBCV-KXBFYZLASA-N 438.575 1.235 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1740688456 FYTVZUPXEHTWGH-KRWDZBQOSA-N 434.566 1.148 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1740689128 PNDVEGIKYVWKJX-RDPSFJRHSA-N 441.624 1.780 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](COC)OC)CC1 1740699475 IOKYZKONUBTFAJ-FQEVSTJZSA-N 427.549 1.891 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740710013 OXKGMECHQKHJAD-GOSISDBHSA-N 429.594 1.739 30 10 IDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1740822608 MOPROBBAYJDIRB-CQSZACIVSA-N 442.948 1.911 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 1740963496 MKZTZMZHBNTVGY-UHFFFAOYSA-N 431.585 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCC(=O)NC 1740988617 KHSJLWUYPHCCDM-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741987295 YEEPJIWKIJWTLE-CZIZESTLSA-N 432.488 1.997 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCOCC(F)F 1743241463 ZYCMTVCSTBJWJE-GJZGRUSLSA-N 448.478 1.440 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1745795682 FUSDZYAHWDLYKK-IBGZPJMESA-N 433.516 1.921 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748818207 XIMVTXNKMWIBIN-ZWKOTPCHSA-N 438.594 1.689 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1748922516 BMVGHXCZLVHXSU-UHFFFAOYSA-N 435.488 1.336 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCCC1 1748950469 KWZMGZNVBMOKIE-UHFFFAOYSA-N 432.546 1.740 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCOC)cc2)CC1 1748991115 QQOOQSPGNCLIAB-HXUWFJFHSA-N 438.532 1.058 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2)CC1 1749003775 VJUKIYUQHZGXLC-XMMPIXPASA-N 437.544 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1749005993 DOSQYBFAGWNCCJ-LEWJYISDSA-N 448.527 1.322 30 10 IDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1749107248 SAUAZWVPTOGLJF-UHFFFAOYSA-N 432.369 1.777 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749214516 ZCHNMKGZFWCCOY-YESZJQIVSA-N 426.587 1.154 30 10 IDEE COCC(C)(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1749264710 IAEVYROANMSVJE-RDTXWAMCSA-N 430.550 1.783 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749434531 WIMSIIHTZAPCNZ-KRWDZBQOSA-N 438.540 1.638 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)C1 1750491410 ZAWDLPOECUUGTD-JKSUJKDBSA-N 432.525 1.646 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1751017746 IMIMMBMQSYJBQB-RTWAWAEBSA-N 443.483 1.303 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1751036713 CFYYQWLABQRRRV-CVDCTZTESA-N 438.532 1.925 30 10 IDEE C[C@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1752048199 FTKOIXHYZKDZFA-MAUKXSAKSA-N 430.534 1.781 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1OCCN(C)C 1760161207 YGQMFURVLHATAQ-UHFFFAOYSA-N 433.516 1.984 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1c1cnn(C)c1 1760177425 JANNOSNUNCUOHL-MRXNPFEDSA-N 438.561 1.742 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1760216531 RERHYUJCNWMLDO-UHFFFAOYSA-N 438.513 1.612 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760259970 JFALMACRSPYAHK-MRXNPFEDSA-N 426.525 1.404 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCSC)CC1 1760273253 MUHAGYLQJFOIHK-ROUUACIJSA-N 435.594 1.721 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760334416 JZGGEIHGMFWBNZ-AEFFLSMTSA-N 434.566 1.726 30 10 IDEE C=CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CC1 1760401767 BUEFPUCOSCUUBB-GOSISDBHSA-N 433.534 1.742 30 10 IDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1760449938 ZLFKKIWEABWYDL-QGZVFWFLSA-N 449.515 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1760551806 SEVDQWBSAOVJTH-UHFFFAOYSA-N 428.518 1.086 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCC(=O)N1 1761241351 ULKLYHVZLXPBEI-QZTJIDSGSA-N 437.504 1.144 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](c1ccsc1)N(C)C 1761463122 FMYIXLYLOBVTBX-YCPHGPKFSA-N 439.611 1.991 30 10 IDEE CN(C)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766858459 LJNXLCOEWDWNBM-HNNXBMFYSA-N 439.520 1.575 30 10 IDEE COCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1771027473 YTAIXTHPCFITBS-INIZCTEOSA-N 440.570 1.168 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1 1851692709 USBJNIBXAITEMD-UHFFFAOYSA-N 448.932 1.746 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)Cn3nc(-c4cccc(Cl)c4)ccc3=O)CC2)n1 1852807803 UJNQSKCRUZQIPE-UHFFFAOYSA-N 435.875 1.574 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CCN1CCC#N 1856186646 KGKGRCVPURVWJV-YOEHRIQHSA-N 438.937 1.466 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cc(F)cc(F)c1 1856264199 QZWWWJSOOJRHJV-LBPRGKRZSA-N 434.424 1.434 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCN(S(=O)(=O)C4CC4)CC3)CCC2=O)c1 1856620907 HGUDCMKREHHAGX-KRWDZBQOSA-N 430.530 1.047 30 10 IDEE COc1cc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1OC 1870148752 BMGAPEYZGPLTBC-LBPRGKRZSA-N 442.476 1.750 30 10 IDEE C=CCn1c(C(=O)NCCc2ccccc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873591428 JUZAMWHRLTURAF-UHFFFAOYSA-N 434.544 1.704 30 10 IDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC[C@@H](COc3cc(C#N)ccn3)C1)CS2 1891934391 DHLPQDISAAOJBG-IAGOWNOFSA-N 425.514 1.858 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]12 2248413316 VJQWYHGTMLFFGA-XCJKDKRRSA-N 436.343 1.501 30 10 IDEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255627384 RYWWYMHSBRZHTH-CYBMUJFWSA-N 436.318 1.722 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255698431 IRHJPDKOAGYNMU-WBVHZDCISA-N 425.342 1.365 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2255842143 NGAGKUHHLMUVEQ-OLZOCXBDSA-N 435.334 1.290 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255881667 AWRDJHLNSUAGJW-OKILXGFUSA-N 432.330 1.809 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 2255947459 BBHRIIVVGQDSBN-UHFFFAOYSA-N 446.382 1.226 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256070227 VWMYCABSVOZFGX-CQSZACIVSA-N 432.330 1.857 30 10 IDEE Cn1cc(C(=O)NC[C@H]2COCCN2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267171356 IXDHNBDNKLMORN-SFHVURJKSA-N 440.353 1.350 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267172479 BCNMVZXHHKSWKJ-ZBFHGGJFSA-N 444.341 1.857 30 10 IDEE CC#CCN(CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)C(=O)OC(C)(C)C 2300539941 SMAOIWXUKLYQFQ-DLBZAZTESA-N 439.553 1.981 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2337203003 RKQCMESWOKUKLP-RRFJBIMHSA-N 446.357 1.847 30 10 IDEE N#Cc1cccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 26219783 POBBQXGLHJBGJL-UHFFFAOYSA-N 443.485 1.802 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)C2=O)cc1 427990164 HLOOLGJJNVLITH-CVEQXADOSA-N 446.507 1.388 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)CCO)cc3C)cc2C1=O 428415510 WKSZJWQQZVUCQI-UHFFFAOYSA-N 428.466 1.795 30 10 IDEE Cc1cc(F)cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 432738248 PXNPVFCPJWYMBL-UHFFFAOYSA-N 430.461 1.477 30 10 IDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 445693571 UYLIKXLVABDLRR-IINYFYTJSA-N 426.296 1.230 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)cc2C1=O 464056413 ZDVIQFHQPZJFJL-HNNXBMFYSA-N 442.497 1.894 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1C#N 472295199 DKXQLLQSHPOPCZ-HNNXBMFYSA-N 444.561 1.303 30 10 IDEE CCOC(=O)c1c(NC(=O)N(C)Cc2cnc(N(C)C)nc2)c(C#N)cn1CCOC 481349116 QLXPBHRVMJVVFT-UHFFFAOYSA-N 429.481 1.703 30 10 IDEE COc1ccc(-c2noc(=O)n2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1OC 502858754 BTHMHOGWIVUTND-INIZCTEOSA-N 429.477 1.213 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 509178544 KZFFUZBVZPDGEV-CYBMUJFWSA-N 425.454 1.622 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1C[C@@H]1CCCO1 514329460 GBASQCWBBCCVKI-IBGZPJMESA-N 437.565 1.819 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 514648481 CSOZSZMZZUBNJF-AWEZNQCLSA-N 433.480 1.395 30 10 IDEE CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 578475814 JRIYRLTWOVNRIP-UHFFFAOYSA-N 449.454 1.525 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 609686687 UCWDYWFAEOZJPB-FQEVSTJZSA-N 427.549 1.518 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc2c1OCCO2 623010539 IXZSXIHZMSTWTM-UHFFFAOYSA-N 438.505 1.897 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 623010586 CDESBEJEPGFIMV-UHFFFAOYSA-N 431.464 1.148 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 730141642 KLTSXPWTIRXABW-WBVHZDCISA-N 433.578 1.519 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732649747 QSVWFIPDRFKHCN-TZIWHRDSSA-N 444.557 1.631 30 10 IDEE N#C[C@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCN1C1CC1 732664683 SUGBUPLOKOQRNC-KRWDZBQOSA-N 448.545 1.105 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)c3ccc(C#N)nc3)CC2)cc1 734602420 JZGCXYSBZQSOCH-MRXNPFEDSA-N 442.497 1.340 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)NS(=O)(=O)N2CCC[C@H]2C(=O)OCC)cc1OC 735772690 UPJMSGLOMAXASU-SOGBHIHOSA-N 438.502 1.662 30 10 IDEE C[C@@H](CC(=O)NCCCNC(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742608072 RAKBJYMHCQZZLK-HNNXBMFYSA-N 428.514 1.440 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)ccc1F 755421331 PLYLKFGVTOAMGE-UHFFFAOYSA-N 445.476 1.809 30 10 IDEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)ncn1 756868368 OIHJGACKWUYUJF-GOSISDBHSA-N 426.546 1.985 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1 768512881 KBRYQFOGGYWHFW-AZUAARDMSA-N 445.928 1.953 30 10 IDEE COCCc1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 769319689 SLSBUUHGIKSDAZ-MRXNPFEDSA-N 433.534 1.701 30 10 IDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1)[C@@H]1CCS(=O)(=O)C1 774043994 OMQQHYPGTFAVNG-QGZVFWFLSA-N 427.548 1.883 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NCC)CC1 809923168 YYDBYIUXKZCRLO-MRXNPFEDSA-N 449.556 1.624 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1-c1ccccc1C#N 917796091 AGCFHPRITDXBRA-UHFFFAOYSA-N 439.435 1.517 30 10 IDEE CC1(C)OB(c2ccc(OCCOCCOCCOCCOCCO)cc2)OC1(C)C 1083812514 MTXHSDZSPWNUFQ-UHFFFAOYSA-N 440.342 1.423 30 10 IDEE CCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)cn1 1084050448 BIZJVLDFPCSKDW-UHFFFAOYSA-N 444.521 1.893 30 10 IDEE CO[C@@H]1CCn2cc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)nc2C1 1125188995 MIKKSUMJSKCXBS-SAZKUCFMSA-N 431.518 1.909 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 1131842107 HHNYAQPGHJBUKF-HXUWFJFHSA-N 442.541 1.790 30 10 IDEE COC(=O)CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1144355275 AYUQSQZWAYTEDF-RDJZCZTQSA-N 429.473 1.691 30 10 IDEE C[C@]12CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C[C@]1(C)C(=O)NC2=O 1151217597 HPVSTSRCWIAPCG-RTBURBONSA-N 431.290 1.268 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnc(I)c(O)c2)n1 1156618377 ODMKZNKSXJWUCF-UHFFFAOYSA-N 440.241 1.510 30 10 IDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 1176166264 FJMUGIARVZNGJK-PMACEKPBSA-N 427.530 1.649 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1224764464 VPBSXZJYQMYDNP-VXGBXAGGSA-N 429.461 1.684 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1233928085 MWTAQLYZFQSEQS-INIZCTEOSA-N 442.438 1.889 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1286285440 MVYHRLWQAVDMKE-JLTOFOAXSA-N 429.550 1.174 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1286375973 BNBKNVHLPFYESQ-PXNSSMCTSA-N 427.574 1.696 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286386837 IFUPEYMFINZHLM-GCKMJXCFSA-N 448.520 1.251 30 10 IDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1 1286446135 DYUSMVNPGLQBNX-UHFFFAOYSA-N 430.503 1.771 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)c1cc[nH]n1 1286458991 GCWQJOXAMHJKQY-UHFFFAOYSA-N 427.896 1.838 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286566218 MQRGIEDXIPNNHC-SBHAEUEKSA-N 446.596 1.539 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2-n2cccn2)CC1 1286638322 YPZZPMOYFOHQJR-MRXNPFEDSA-N 442.549 1.674 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1286786456 SKRLARYTKABATG-IAGOWNOFSA-N 428.468 1.248 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1287136643 CSZVZMGFHITTGE-HNNXBMFYSA-N 432.550 1.458 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@]3(C)COCCO3)CC2)c1C#N 1290578232 XDKOVKUQDQJDOT-JOCHJYFZSA-N 442.568 1.522 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC 1292614196 DLXSBQUGSYZCQS-KRWDZBQOSA-N 433.534 1.583 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H](C)O1 1293540489 DVTCSBMLOSCPPR-KLHJMIIUSA-N 445.545 1.370 30 10 IDEE N#Cc1cn(CCC(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)c(=O)nc1O 1293781992 AXHMNGMFODJIPC-UHFFFAOYSA-N 427.442 1.003 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC)c1cc[nH]n1 1294581652 FQUFWJWSGXMILD-GOSISDBHSA-N 430.461 1.750 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1299162628 ICSRGVJCTIUGHQ-QHCPKHFHSA-N 435.532 1.648 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncn(-c2ccccc2)n1 1300553830 USJSBQCKGCQNRI-RXVVDRJESA-N 431.500 1.704 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1300556800 MEBUWWXTKFVJDW-NSHDSACASA-N 438.298 1.339 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C)C1=O 1300642204 OELQOVCGXXLXDJ-JOCHJYFZSA-N 426.496 1.674 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCC(=O)N(C)C)CC1 1300698692 YMIXPRDTVIXALJ-UHFFFAOYSA-N 448.531 1.218 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1305328104 CUQRABIIFCWXLA-OIAISFKWSA-N 439.520 1.561 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OCC 1309505530 BYJHXLDOZZUPIZ-KRWDZBQOSA-N 430.548 1.647 30 10 IDEE C=CCN(C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1310012123 QIORNKHLFKISBG-HNNXBMFYSA-N 427.523 1.771 30 10 IDEE CN(c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1314695556 WZQVJHCEZHMMEY-YESIBHTGSA-N 432.550 1.988 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(NC(=O)C4CC4)CC3)n2CCOCCCO)c1 1316529044 MNJCATFBEVSWIK-UHFFFAOYSA-N 438.532 1.711 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2COCCO2)cc1 1316533137 FDOBZVAYSZPTPU-IEBWSBKVSA-N 440.504 1.236 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ncccc2S(C)(=O)=O)cc1 1354818161 OYWNTMYEMUJIFN-PGMHBOJBSA-N 436.515 1.550 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358875001 HPGDMBRXNNFOBX-YYDVJCTNSA-N 446.596 1.331 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1358978603 QHTAQJAYVLTDTF-GOSISDBHSA-N 436.541 1.611 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1358981703 UMXVAQQPISOWNR-UHFFFAOYSA-N 433.516 1.615 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 1359002727 KJPHRDKNZNZVMF-UHFFFAOYSA-N 442.589 1.917 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1359038116 LBGRBWXPPVPGEJ-UHFFFAOYSA-N 427.574 1.396 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359059921 FIAUTMVVRPMCSG-GJZGRUSLSA-N 444.586 1.351 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359083858 SNNYPLXNCMNHOQ-UONOGXRCSA-N 425.331 1.637 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359097683 SAUZCNDJJMETJV-HKUYNNGSSA-N 446.577 1.839 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1359256103 UXTMYNHNKCMCAE-OAHLLOKOSA-N 430.534 1.477 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)cc2)C1 1359313732 QNZTYXJSKFKUQD-WMZHIEFXSA-N 441.532 1.859 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)O[C@H](C)C1 1359329228 CFLWDKHTZLCBGP-HZPDHXFCSA-N 448.545 1.931 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359331939 KWSREZPTBIIVPA-IEBWSBKVSA-N 437.610 1.693 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)O1 1460819801 MHMWLUSSHROUMS-LWYYNNOASA-N 448.589 1.352 30 10 IDEE CN1C(=O)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1464964989 VZRZERKUNDLZOK-HNNXBMFYSA-N 434.294 1.052 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1468118596 VEZIOMSZXJWRNF-HZPDHXFCSA-N 448.520 1.459 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCCN2CCCC[C@@H]2C)CC1 1471451849 ZTSCJKSHLRNZNE-IBGZPJMESA-N 448.589 1.165 30 10 IDEE C#CC1(O)CCN(C(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1478680337 BPOOZULMOFTBSO-KRWDZBQOSA-N 433.574 1.785 30 10 IDEE N#Cc1cn(CCNC(=O)NCC/C=C/c2ccc(Br)cc2)c(=O)nc1O 1479039299 HXBBVJOIAADMMO-HNQUOIGGSA-N 432.278 1.986 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1479158480 IEQWMLIMPOHJBE-OALUTQOASA-N 444.532 1.956 30 10 IDEE CCc1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499009917 WUKVBDLONVIDQT-VZCXRCSSSA-N 436.520 1.391 30 10 IDEE CCn1cccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1=O 1502236679 CINFNPSMPIKLFL-GCJKJVERSA-N 442.520 1.277 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1503370735 AULMFZXSZVUVQU-UHFFFAOYSA-N 430.516 1.929 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1504886230 FHFBZSHQUBEPSH-MRXNPFEDSA-N 433.538 1.131 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507631478 PUQYFZYDDMKZOV-HXUWFJFHSA-N 438.557 1.856 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCOC2CCOCC2)CC1 1507740050 NBBIGIZAYPFAFO-UHFFFAOYSA-N 429.565 1.782 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507795717 FJKFDSVHTVAUMX-FPOVZHCZSA-N 446.596 1.411 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(F)cc(C)c2C1 1508095930 ZXLYDSQFJHWOLF-UHFFFAOYSA-N 426.496 1.713 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(F)(F)Br 1510190969 KCBPBENUFXPXGZ-GZMMTYOYSA-N 445.265 1.318 30 10 IDEE Cc1nc(Cc2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(C#N)o2)cs1 1511520931 SZINMYSEUBJMJJ-UHFFFAOYSA-N 427.534 1.915 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1 1511974463 DMQOCFIGMKWBFE-IRXDYDNUSA-N 437.548 1.878 30 10 IDEE Cn1cc(I)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1515681299 RZLAWSVRACZQGP-SNVBAGLBSA-N 445.261 1.610 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1517607526 CDDVUPRGAGNGEI-UHFFFAOYSA-N 446.515 1.334 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN(c4ccncc4)CC3)C2=O)cc1 1537847981 NDVNICKUFBDFPL-HXUWFJFHSA-N 432.484 1.943 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1539012783 GIPWNGMHZFQDOC-GVDBMIGSSA-N 432.550 1.039 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1539117763 WNFLSJVMJDEBDS-YOEHRIQHSA-N 430.534 1.487 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1539203467 QGOJWYGTGLDFMD-OAHLLOKOSA-N 427.596 1.185 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1539239169 INOZLUKQXVHIRL-AWEZNQCLSA-N 435.937 1.671 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC(=O)N2)CC1 1539434278 GTNKVISVEDXULG-QGZVFWFLSA-N 443.349 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCS2)CC1 1539468977 LGHRZSYDHHDUBD-SJLPKXTDSA-N 435.594 1.864 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC[C@@H]2CCCCO2)CC1 1539476656 CRNOGUWKTFGKPI-FQEVSTJZSA-N 439.564 1.994 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1539646169 RYSQCWQHUPVCDJ-GGPKGHCWSA-N 443.552 1.072 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1539646171 RYSQCWQHUPVCDJ-HBFSDRIKSA-N 443.552 1.072 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1539824417 SMCBCMVSRWATLY-GJZGRUSLSA-N 433.962 1.226 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1540071218 CSDQAAJWOZPTOH-ZDUSSCGKSA-N 443.371 1.852 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540872296 JRGMFNPNJDUWKG-ZDUSSCGKSA-N 439.488 1.073 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCNC(=O)C1 1540898129 AMQZAWRBFBIPQC-UHFFFAOYSA-N 440.529 1.339 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1544778308 AEWYIULXAVZARB-OAHLLOKOSA-N 449.529 1.412 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1555667969 BNWVRNTWKDRURC-WBVHZDCISA-N 432.500 1.984 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1555801447 SYACLKPPBVLJNJ-SFHVURJKSA-N 433.534 1.515 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1555993355 MUYZGSZJHAVCSE-WFASDCNBSA-N 429.868 1.315 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1557520584 AYEXRZAQLDDFSD-QFIPXVFZSA-N 449.552 1.461 30 10 IDEE C=C(C)C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C(=O)OCC 1559268501 IDYFARSQAFMVAB-KRWDZBQOSA-N 440.522 1.841 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)n(Cc2ccccc2)c1C 1560186256 ATZGSOKTBYLGIS-KDURUIRLSA-N 426.542 1.940 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1563385273 JJZTTWWJBMMFRV-INIZCTEOSA-N 434.541 1.901 30 10 IDEE C=CCn1cc(CNC(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nn1 1563996980 IGPISSKFAVKSKN-UHFFFAOYSA-N 442.520 1.646 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1584437881 WJLKEHASWFSFGF-AOMKIAJQSA-N 428.489 1.664 30 10 IDEE Cn1c(Cl)cnc1-c1csc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 1586162899 XPLBPIXAKWNUJZ-UHFFFAOYSA-N 436.906 1.874 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1588083359 FRTRSNOGMJWWDG-QGZVFWFLSA-N 438.557 1.994 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(-n2cncn2)nc1 1588099219 JXBYYLIXUQJTCQ-UHFFFAOYSA-N 439.439 1.950 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1588113132 IFKYSOQSEPUMJF-UHFFFAOYSA-N 436.541 1.894 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1588574745 RDXDREQJSCYHLZ-NRFANRHFSA-N 447.923 1.099 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCOC)CC1 1588837012 PJPPWMMGYQTNEZ-OFNKIYASSA-N 441.532 1.333 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589053491 PCWYQLAAQSKPPK-UHFFFAOYSA-N 427.578 1.225 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1593747410 VTLIDJIRDYTWQD-HZPDHXFCSA-N 435.554 1.243 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1595555961 LFXZGGHKZIPFPA-NRFANRHFSA-N 428.468 1.341 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1595722881 OMJKSEJKMJZMRR-IPMKNSEASA-N 433.553 1.796 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1613311805 URDMSVPUCPFMJS-PVHMMBIOSA-N 429.525 1.375 30 10 IDEE CCOC(=O)N1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[C@H]1c1ccc(C)o1 1617487937 SBFXIICBMFQZBR-ULMVMLMRSA-N 435.502 1.647 30 10 IDEE CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1620163052 KZRCLIZEYKQMFE-QRVBRYPASA-N 429.546 1.960 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)Br)CCN1C1CC1 1620355074 GHMMDLPTSWPDFS-YPMHNXCESA-N 431.285 1.946 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H]3CCC[C@@H]3C#N)CC2)cc1 1620488039 MWDPNZBYXXPCLC-QUCCMNQESA-N 432.546 1.346 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n[nH]2)C1 1635696680 AFFCWGAKZPHACJ-YRVVQQKDSA-N 449.533 1.144 30 10 IDEE N#Cc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1Br 1636696130 ILYYRQZGNVAGMG-VMBJYNEYSA-N 440.319 1.262 30 10 IDEE COC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)nc2C1 1639506768 KYJJWTCZXQXOTG-CYBMUJFWSA-N 448.526 1.784 30 10 IDEE C=CCOC[C@H](NC(=O)c1cnn(C(C)(C)C)c1I)C(=O)OC 1639558240 GGELNHBLNSWHIU-NSHDSACASA-N 435.262 1.717 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)NOC)CC1 1644118189 ONVLKVGMVDMWQB-MRXNPFEDSA-N 436.534 1.200 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3[C@H]3CC[C@@H](COC)O3)ccc2c1=O 1646251516 UJLRPYYVNDGVTA-KFKAGJAMSA-N 445.541 1.906 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NCc3ccccn3)c(Cl)cc2Cl)C1 1646382179 XBDGRSMEPZNTBX-UHFFFAOYSA-N 440.308 1.687 30 10 IDEE N#Cc1cnn2c(O)cc(CN3CCC(C(=O)NCCCN4CCCCC4)CC3)nc12 1652966854 GECGUSPKVWNNEH-UHFFFAOYSA-N 425.537 1.511 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ccc(C#N)cc2)CC1 1654540683 IFQPXFVKQPBJJU-MRXNPFEDSA-N 439.541 1.305 30 10 IDEE COCCOCCN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1681581001 WOGYHSWVYYLHJP-UHFFFAOYSA-N 431.537 1.633 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCn2ccnc2C)c1 1689870330 KQKWOQDEKHOMJQ-IBGZPJMESA-N 446.515 1.491 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1690001773 RUOPLYVZIMEBCF-KRWDZBQOSA-N 428.562 1.270 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2nnc(C)s2)CC1 1690142324 LRNZFJFGYOPGCG-UHFFFAOYSA-N 438.561 1.652 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690156701 ZSSYIIZSLQMWMO-YCPHGPKFSA-N 427.596 1.258 30 10 IDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690157698 MWNTWCBNTTWQPH-QFBILLFUSA-N 442.607 1.384 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1690301123 PPENMTMLRPFUPT-KRWDZBQOSA-N 441.598 1.878 30 10 IDEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690413310 OGPAZUMEUOZCFR-LJQANCHMSA-N 437.591 1.586 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1690433221 UEMBGDXBPTXGGJ-OAHLLOKOSA-N 432.612 1.653 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1690464442 BRTKMPHGCYAJEV-PXNSSMCTSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 1690663483 YDOXMVMXLRBCKW-UHFFFAOYSA-N 441.517 1.077 30 10 IDEE CCc1nnc(N2CCCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694724774 UXKGISCALWJFJJ-QZQOTICOSA-N 427.553 1.822 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1696519200 JUQFPAPUWISPSP-OKXSDPAFSA-N 443.577 1.882 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)COC)C1 1696950247 DYAWIBOWEGYTHG-WMZOPIPTSA-N 426.521 1.974 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCS(=O)(=O)CC2)CCO1 1698492323 DWSVFQNBTJSYKR-INIZCTEOSA-N 449.508 1.550 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1705476901 GUSBJKRRPQWQRN-KSMMKXTCSA-N 437.591 1.896 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705514103 KQICOMFVSWARNF-UHFFFAOYSA-N 426.525 1.056 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)c1ccco1 1705544716 BFBHZELVMZLDNG-OAQYLSRUSA-N 443.529 1.766 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1705559022 OOJPZLUUBFBBSY-CWRNSKLLSA-N 425.530 1.354 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1ccco1 1705583237 SXDIEGDYWPJORH-HXUWFJFHSA-N 431.452 1.886 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)Cc1ccon1 1705608414 QKAPPVIQNQGTTN-UHFFFAOYSA-N 449.924 1.561 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1705677845 DYFDSMKENPUQFV-NHCUHLMSSA-N 448.520 1.538 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705688688 SOVFXZKHWHBPEC-ZDUSSCGKSA-N 434.360 1.162 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705762589 CUTVYDXSTWXNMD-INIZCTEOSA-N 446.577 1.843 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705900312 YOJATIVCRYJOLV-IBGZPJMESA-N 436.520 1.361 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 1705908065 HBOHYCAQQBKALL-UHFFFAOYSA-N 438.454 1.686 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)noc2C)CCO1 1706047375 AQRIJGRSMRYRJL-LJQANCHMSA-N 435.488 1.811 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1710898545 FQEXAVFHPUBABB-VQIMIIECSA-N 443.577 1.429 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)OC 1712160872 GBZGKVQNOYNHOF-GCJKJVERSA-N 440.504 1.249 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1722364951 JPRYGZCXIQYBAE-QGZVFWFLSA-N 442.570 1.704 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cc(CO)nn1 1722392609 OTFMNAQSVGLBEU-UHFFFAOYSA-N 447.499 1.353 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1 1722466707 CWLFXKGTTCPCSI-FOIQADDNSA-N 436.582 1.329 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1722474129 LZWTUJZJTKVNKD-DYESRHJHSA-N 435.594 1.283 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722691428 QFFXBOMBQNHSHD-NYHFZMIOSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722696904 CHRGMRWRRFNKAJ-UHFFFAOYSA-N 440.577 1.917 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722698019 BCGPZVUUHILVGC-MRXNPFEDSA-N 441.492 1.319 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2CC)C1 1722710442 IVYVTYISSAVFRR-KZNAEPCWSA-N 440.614 1.544 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)C1 1722719166 RFZWZJCJOPGXIH-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2c(cccc2OC)C1 1722728340 QHEYBVMOQCMFIC-KRWDZBQOSA-N 432.546 1.954 30 10 IDEE CCO[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728957732 DBJCGIQRRAERDR-JXPGLKHUSA-N 430.509 1.661 30 10 IDEE COCCOCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1730915054 RJKDPOXEAYFQSA-AWEZNQCLSA-N 439.314 1.818 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1731180067 ABSAGCSOHHBYHH-IBGZPJMESA-N 444.492 1.198 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740598659 ZDRUFNOWZNMXNQ-INIZCTEOSA-N 444.502 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cn3ccc(C)cc3n2)CC1 1740690292 IHWZTHCFVWMXPT-LJQANCHMSA-N 437.548 1.762 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCOC(C)(C)C2)CC1 1740696786 GOTYFHKYWSYCDW-UHFFFAOYSA-N 440.567 1.874 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1740716727 XVVSYAKXXRXHPD-UHFFFAOYSA-N 432.506 1.261 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1740752289 VIYPVNLMURAYGT-NXOAAHMSSA-N 441.598 1.873 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740803033 PJLYFFSISBSIBL-SNVBAGLBSA-N 443.879 1.989 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 1740958187 KFGLTTIOUOACCK-MRXNPFEDSA-N 434.541 1.531 30 10 IDEE Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742818581 VFTFTOWWECFBDP-DVEDPGPFSA-N 429.525 1.244 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1743362989 KZEMOLMSAVQWMZ-CRAIPNDOSA-N 427.465 1.303 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OC)cc2F)CCOC1 1746733456 HSKZANLCBYJDBG-LAUBAEHRSA-N 431.468 1.855 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1748738670 LVJLNVSLQZJNQI-HXUWFJFHSA-N 436.520 1.964 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1748848586 KHGOEGAYMACWGS-FCQUAONHSA-N 428.496 1.777 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C2CC2)CC1 1748999192 LRGJGBPLNIFVCM-IBGZPJMESA-N 433.560 1.967 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749032238 ZLJHTWGVCARZNJ-KRWDZBQOSA-N 439.545 1.473 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749120050 ZRSMDKTUEOIAMT-IMBTUZDBSA-N 442.520 1.757 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749127337 KUTMZVRTAYYSFT-BNDYYXHWSA-N 446.596 1.757 30 10 IDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1749318844 CFSSXUKBLUBRCQ-INIZCTEOSA-N 428.493 1.900 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@H]2CCC[C@H]12 1749458261 XPAPLROFKVWAPA-ULQDDVLXSA-N 439.582 1.438 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1749600235 SUZJKCPDRURHLG-QZXCRCNTSA-N 432.612 1.366 30 10 IDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCN1c1cnn(C)c1 1750920611 MACARKUOAFESMW-GOSISDBHSA-N 439.568 1.949 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC(F)(F)F)CCOC1 1751005991 BRVKDCMACPAQIP-CXAGYDPISA-N 432.447 1.736 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760164120 KRQGKCQLNFDKMF-HZPDHXFCSA-N 435.525 1.908 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1760186970 BOWYLMKCYFJATK-WDSOQIARSA-N 444.561 1.287 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1760244525 YFRXWXKMIBUXLN-UHFFFAOYSA-N 433.314 1.309 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](F)COC)CC1 1760255309 GZIWOXORECGPDT-QGZVFWFLSA-N 435.525 1.088 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760279914 BIQSHIFQGOYBKI-IXDOHACOSA-N 425.624 1.466 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1760282792 QKLMXPCCPFHLCH-UHFFFAOYSA-N 425.566 1.607 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760528070 RDEFSPNEECAJOH-CVEARBPZSA-N 433.484 1.539 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCCC2)C1 1760535777 XCFWDNDKHKDEEA-DLBZAZTESA-N 426.587 1.156 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1762385226 XDQABRVYQSHCKO-OAHLLOKOSA-N 443.533 1.680 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CC1 1771220150 VOXFJHDZQKEFPV-HOTGVXAUSA-N 426.525 1.789 30 10 IDEE COCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1771270253 SERDGQISOWZHQV-APWZRJJASA-N 425.555 1.363 30 10 IDEE CCC[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1772860256 XKVFASNMPJMQFP-RHSMWYFYSA-N 436.538 1.749 30 10 IDEE CC(C)(C)[C@@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1851682948 MMUYHDZPDHRUHL-LJQANCHMSA-N 447.605 1.431 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCN(C)C1=O 1851732559 WRQYXKWKHRMYCE-LJQANCHMSA-N 435.546 1.341 30 10 IDEE CC(C)[C@@H](C(=O)N1CCC(COc2cccc(C#N)n2)CC1)N1CCS(=O)(=O)CC1 1853267219 VYRXQCPBELXPLB-FQEVSTJZSA-N 434.562 1.326 30 10 IDEE C=CCN(Cc1cnn(C)c1C)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1853592030 YUSKATURDKNCLD-UHFFFAOYSA-N 435.550 1.949 30 10 IDEE Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)c(C)c1 1855220281 HRQQCXBWFGLXNF-INIZCTEOSA-N 426.498 1.940 30 10 IDEE Cc1c(Br)cccc1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856152534 HEXDFFMJAGJMJQ-UHFFFAOYSA-N 428.308 1.674 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc4cccnc34)C2)CC1=O 1856804780 GLGCSHQDJPRPGH-HZPDHXFCSA-N 431.470 1.117 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858271591 AKPMHRPOEAUZGG-UHFFFAOYSA-N 446.514 1.919 30 10 IDEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869927899 HGAHGNDEYIDLKZ-UYAOXDASSA-N 444.557 1.874 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)COC1 2247919681 SQZUIYQYRWBCMZ-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE C[C@H]1C[C@@]1(CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416492 SVOYKZZLTZFDGH-WLRWDXFRSA-N 438.359 1.749 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)n1 2255610008 XCYQSYKHIUXYBW-KRWDZBQOSA-N 426.326 1.936 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255632950 UROMAWYUOWJPRF-QWHCGFSZSA-N 438.309 1.786 30 10 IDEE C[C@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255671705 VTEAZQQOKQJWGP-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255681688 VUQPZAQVHPZSIQ-IAGOWNOFSA-N 432.326 1.696 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]12 2255699030 MYAYZKRLPPSZCM-GJZGRUSLSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2256065233 XALNCXQOODXOIE-CHWSQXEVSA-N 430.314 1.371 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2256612717 FSXAYNCFGREXTJ-OAHLLOKOSA-N 433.314 1.955 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267263127 AXLNMSCIQYMCLZ-ZIAGYGMSSA-N 449.361 1.538 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2267529213 YDMWMWAWPHYNCH-JLCFBVMHSA-N 446.357 1.941 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO[C@H]2C1 2267561387 OQUWXVKFTORJNE-UAGQMJEPSA-N 447.341 1.678 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(Cc2ccccc2)C1 2267580948 LZXQXRAJHVQKAL-WMZOPIPTSA-N 439.369 1.755 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1cnn(Cc2ccccc2)c1 2267600577 IRUGKTWWRARDLT-HNNXBMFYSA-N 436.325 1.850 30 10 IDEE Cc1scc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2303616069 VTWIZNPSTVERAD-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE C[C@@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2319291547 UIBWSIHNVTVBPV-AWEZNQCLSA-N 449.338 1.383 30 10 IDEE C=CCN(CC(=C)Br)C(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2326795098 QQWKHYJSHKBIGI-UHFFFAOYSA-N 437.356 1.944 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)c1 20292701 UYRFWXQRKDOEMI-UFFVCSGVSA-N 428.478 1.581 30 10 IDEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 20424065 UFYGZELTPDBXHP-IFRROFPPSA-N 428.478 1.430 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(N3CCC(C(N)=O)CC3)=NC(O)=C2[C@H]1c1c[nH]c2ccccc12 72443879 LGXLTPUOFKPVSP-XJKSGUPXSA-N 431.456 1.256 30 10 IDEE CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CCN(c2cnccn2)CC1 435236645 TYIOPTHRHWBDPS-UHFFFAOYSA-N 448.462 1.739 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)CC1 441643655 FKXKHPZFRFGFBQ-UHFFFAOYSA-N 437.481 1.511 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 446623195 HUARSTNLOWREHT-UHFFFAOYSA-N 441.532 1.924 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 460713597 ABAJQSSIZCFHCE-MRXNPFEDSA-N 440.467 2.449 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1C 462435200 HFFBGEBSYUELFV-UHFFFAOYSA-N 441.553 1.677 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 477317248 VRYUWXXQGCYZEU-KRWDZBQOSA-N 429.517 1.564 30 10 IDEE N#C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 499429773 GHQVFWBMWPGDNI-WBVHZDCISA-N 435.322 1.311 30 10 IDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508808761 IDIKWAYHFYFSIB-LJQANCHMSA-N 426.521 1.577 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 508826374 IFTVSZWCTMIRAH-INIZCTEOSA-N 425.555 1.337 30 10 IDEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 509507046 WBIZNPXXUGZBII-UHFFFAOYSA-N 435.484 1.390 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(C[C@H]2CCCO2)c1=O 514835965 ZLRUTEADHIHPJS-LJQANCHMSA-N 449.532 1.810 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1C#N 521289674 LFZNVUNERUPUMP-GDBMZVCRSA-N 431.562 1.833 30 10 IDEE C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522611254 KBOCRBZIJHJHMO-DLBZAZTESA-N 447.561 1.364 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 523080203 WXFAYUMGFTVAFZ-UHFFFAOYSA-N 433.511 1.788 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)NCCSCc2ccccc2C#N)CC1 570494391 SDDYGISASPEFSQ-UHFFFAOYSA-N 425.580 1.315 30 10 IDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c3=O)cc2s1 584267934 FVYVTUAKFFNRFP-UHFFFAOYSA-N 440.550 1.432 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 584547677 MYRIFUTWZUOMHJ-HXUWFJFHSA-N 433.578 1.590 30 10 IDEE CCn1c(O)nnc1C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 588963902 AXFDTSNALNGJGX-QGZVFWFLSA-N 443.577 1.654 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 603801138 YRAPZNZLEQRUAS-CQSZACIVSA-N 445.491 1.492 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)cc2C1=O 641928803 YSDVZQZQQLPUSV-JKSUJKDBSA-N 432.498 1.277 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CCN(C(=O)C(C)C)CC2)C1=O 726111832 DXXQIAPZZSLHDB-FGGSVNHKSA-N 445.589 1.707 30 10 IDEE CCc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccoc3)c2=O)c1 727416038 DLLFDGLSYDGFPH-UHFFFAOYSA-N 437.521 1.710 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 731070701 KBZDQNMQNNABHU-CKXPSTMWSA-N 442.497 1.673 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665378 ZKKXROCBYKPAKA-WMZOPIPTSA-N 429.546 1.339 30 10 IDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)s1 736586422 YDZBKDFZSDVTRB-UHFFFAOYSA-N 447.545 1.626 30 10 IDEE N#Cc1ccc(OCCNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 741971371 JAAYUOGPCXXRHP-UHFFFAOYSA-N 438.509 1.914 30 10 IDEE Cn1ccnc1C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742856914 ACAKUPBIIVUCJM-SFHVURJKSA-N 437.525 1.949 30 10 IDEE Cc1ccc(CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 747035404 CZOPSLUCKQVRKN-UHFFFAOYSA-N 445.497 1.469 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 747738190 WWKFVAPGUMRXQB-UHFFFAOYSA-N 446.573 1.139 30 10 IDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 747864624 AMCBVRPIBVMKOB-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE CC[C@@H](CO)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 754435462 CSVOFPPKXPDCTD-XENKUQMPSA-N 437.566 1.420 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O 757274023 GKQNLYVLLDKJKI-RXYZOABWSA-N 448.475 1.963 30 10 IDEE COc1cc(OC)cc(N2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 758708254 DLNSIMWZLAWFAQ-DQRAZIAOSA-N 428.489 1.659 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760771768 GOLYQNZLQXCZKM-QHCPKHFHSA-N 432.484 1.378 30 10 IDEE C=C(C)CN(CC)C(=O)COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771439488 MRUHAFAOSBZRSQ-JOCHJYFZSA-N 431.489 1.738 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 774171337 PCWYJCXXOFLEQS-LEWJYISDSA-N 432.590 1.197 30 10 IDEE C#CCN(C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774177422 IDHCHGFWJUCFEU-JOCHJYFZSA-N 446.617 1.416 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)OC)c(C3CC3)n2)c1 779978919 ATCQJWSXKWIQAO-UHFFFAOYSA-N 427.482 1.587 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1cccc(C)c1 782832818 LDNIKDHPBNNEFE-LZWOXQAQSA-N 448.545 1.519 30 10 IDEE CCCc1c(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)cnn1-c1cccc(C#N)c1 785987731 HPKHWLMHIZTBFO-UHFFFAOYSA-N 445.545 1.917 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N=c2cc[nH]cc2I)n1 788658052 RFKUUPLTJFBORN-UHFFFAOYSA-N 439.257 1.618 30 10 IDEE C#CCn1ccc(CN(CC)[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)n1 789331624 DZPIFVRAXPAJMH-INIZCTEOSA-N 447.561 1.624 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)cn1 790021904 OVIWPXASSOZRPS-MRXNPFEDSA-N 449.577 1.395 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CC[C@@H]2NC(=O)N(c3cccc(C)c3)C2=O)n1 790108032 PNLPLGLUKKSAHH-FQEVSTJZSA-N 437.500 1.705 30 10 IDEE COCCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 802427156 VMCDDADNIRXDET-LJQANCHMSA-N 440.504 1.739 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@@H]1CCCO1 802691315 FHOWGRKVKYOOEE-SFHVURJKSA-N 429.546 1.978 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(C#N)ccn1 803848841 KNPIXGRFRLNKDX-GFCCVEGCSA-N 432.458 1.396 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC(=C)C 812182869 CNUPHJNXTBSXKH-UHFFFAOYSA-N 439.541 1.615 30 10 IDEE CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCN(O)C1=O 816692604 RLCOMYAAQXOMCI-CHWSQXEVSA-N 430.324 1.407 30 10 IDEE CC(C)CN(C(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 850704188 UAILJVHQJPAGJU-PVJNQWLSSA-N 430.592 1.690 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)n1C[C@H]1CCCO1 917768349 KUZCZQAMMYBQSD-GOSISDBHSA-N 437.912 1.955 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1133130084 ISLGXZORLDKLHO-UHFFFAOYSA-N 446.573 1.710 30 10 IDEE COCCNC(=O)CN1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1135702382 ACROATLACQXTDB-UHFFFAOYSA-N 436.516 1.086 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)nn1 1137588303 WKEMAWWTHAQHOK-AEFFLSMTSA-N 446.552 1.832 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)C2=O)cc1 1140112221 VPGPNXVXXKPAGS-JOCHJYFZSA-N 430.424 1.865 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](CC)(C(=O)OC)c2ccccc2)cc1 1142081570 VVOVOPCHQVTFMP-JOCHJYFZSA-N 428.510 1.849 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)CC1 1144026694 JXZSAPQGRYCNON-UHFFFAOYSA-N 432.565 1.498 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CC1 1150000765 PHFMHNSTAZRVIV-KRWDZBQOSA-N 429.546 1.523 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1230269066 ODUFZXUMDIRSQZ-RDJZCZTQSA-N 437.518 1.065 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1265509479 DNANGIFPNNCYIZ-QGZVFWFLSA-N 444.504 1.770 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCCOC)cc1 1286298705 NUEYTINGSTXPRU-YLJYHZDGSA-N 446.573 1.849 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286346729 ASPZDAHJLNHNPY-UHFFFAOYSA-N 426.569 1.473 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286391488 IWOQNNGVNVMPJS-OALUTQOASA-N 445.589 1.476 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1286393708 MGTIMCRBFWFHGE-WOJBJXKFSA-N 444.557 1.603 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1286431030 QYJJOZFDMMOULO-INIZCTEOSA-N 428.443 1.779 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1286508074 IDMLHXFDVGIQBY-UHFFFAOYSA-N 444.605 1.748 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1286714601 QTNGVXGCSOYPCU-ZIAGYGMSSA-N 430.575 1.814 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286782600 ZNNLZPODWUDQRT-MRXNPFEDSA-N 436.476 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286819889 YYSWEDKWQQRJOZ-MRXNPFEDSA-N 445.611 1.055 30 10 IDEE CC(C)(C)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1287013643 DDJWSWXJBDXWCW-NYAYQYMKSA-N 441.536 1.628 30 10 IDEE C[C@@H]1CCc2nc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c(C#N)cc2C1 1289755552 AMMRVOLQYBGLKH-DOMZBBRYSA-N 429.502 1.182 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)S(=O)(=O)CC 1300305703 ZCROXYMFPFZVPO-CQSZACIVSA-N 436.538 1.135 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCn2cncn2)c1 1300334259 JKRSVDDERVZRMX-SFHVURJKSA-N 434.504 1.520 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1300408976 DQSSKGJUXYGQBT-FUHWJXTLSA-N 433.534 1.611 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300488100 ATQQKINCIKGCCS-QGZVFWFLSA-N 443.573 1.652 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300502861 YRVHLVSCBFRMOR-RTBURBONSA-N 433.622 1.978 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3ccc(C#N)cc3)CC2)cc1 1300738105 GTRNIBYYHKWKHG-UHFFFAOYSA-N 426.542 1.532 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1300898510 YHBQNHULKUXVCR-GKAYAJSDSA-N 447.580 1.874 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1301082918 LQINPXHQZUJDDX-UWJYYQICSA-N 431.468 1.709 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@@H](C)O1 1301358757 DEBKNHHLUVFCIQ-WVBUVRCRSA-N 427.505 1.862 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301491660 MXWKQFIBGSTDCD-OAQYLSRUSA-N 426.477 1.287 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1301575705 JTECCWXSNILJCI-QGZVFWFLSA-N 442.545 1.509 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCN(c2ccncc2)CC1 1302969117 CWFWCDBSAFSZQS-NRFANRHFSA-N 438.580 1.813 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCO[C@@H]1CCOC1 1306193971 IGADPDCGOREEBU-QGZVFWFLSA-N 428.541 1.276 30 10 IDEE CCCN(C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1306783060 MMWQOZLJYKDYTN-IAGOWNOFSA-N 446.577 1.861 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)c(=O)n1CCO 1307388994 LNEWTHLZPUGKDN-NRFANRHFSA-N 426.517 1.819 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1316186693 BGXLCCCGSRQOOI-MAUKXSAKSA-N 425.555 1.709 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1337650926 UGISFXAGYABOGI-KRWDZBQOSA-N 427.505 1.209 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCCO1 1358976688 NGDHPFOCOQBDIZ-KRWDZBQOSA-N 425.489 1.664 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1359022107 NHEBDRAYRTVMMF-QFIPXVFZSA-N 442.589 1.634 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1359037288 DAKIRKFCLPBETC-UHFFFAOYSA-N 427.641 1.792 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1359055498 FYBYSLAQEFMOHV-IBGZPJMESA-N 446.621 1.677 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359104942 HSMRKCOZSGEALS-TZIWHRDSSA-N 447.580 1.871 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@@H]2C)CC1 1359173848 PTGATXYFRUHEFG-HOTGVXAUSA-N 426.587 1.011 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)c2cc[nH]n2)CC1 1359182443 GWOYCABFFRPQES-WMZOPIPTSA-N 429.525 1.558 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359226065 VOCSBENPLPAPIN-QGZVFWFLSA-N 440.508 1.094 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359297990 JGKLCXOFCQOYET-OAHLLOKOSA-N 426.481 1.660 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCOCC2)CC1 1359329085 YLIRTJQJQHCJAA-UHFFFAOYSA-N 449.577 1.748 30 10 IDEE Cc1cc([C@](C)(O)Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c(C)o1 1361002136 AKZDXOIYWUIYOR-RTWAWAEBSA-N 430.484 1.960 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(CCOc3ccccc3)CC2)c1 1440484567 TUEMISRTNVGSTM-UHFFFAOYSA-N 431.489 1.960 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1450274984 XMNYJSBANOCABJ-WFASDCNBSA-N 442.285 1.937 30 10 IDEE O=C(C1=NN(CCO)C(=O)CC1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456584710 GRZCPJFHEZQUKN-HTQZYQBOSA-N 437.287 1.587 30 10 IDEE COc1ccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1456620695 ZUVVWYVLAJZLSE-IFXJQAMLSA-N 432.527 1.370 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc1ccccc1SC[C@H](C)C#N)C2 1460925025 KVJCMVPJBCNPAU-PBHICJAKSA-N 441.561 1.749 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OC 1462163509 KXJIZCIFSFNPKE-MRXNPFEDSA-N 430.910 1.599 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)s1 1471752840 AYYJERNAESWWII-CYBMUJFWSA-N 429.564 1.881 30 10 IDEE COc1ccccc1[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCCCC1 1477522361 HZJSQQDFNBBJDS-GOSISDBHSA-N 440.504 1.356 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1478861629 SGJYHNXAIJTJGY-MRXNPFEDSA-N 427.486 1.020 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCOCC(F)F)CC2)c1C#N 1492728158 VEIYGAWBHJWJCO-UHFFFAOYSA-N 436.511 1.999 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1497085830 HAIUSXLGFZSUKH-OXJNMPFZSA-N 432.550 1.894 30 10 IDEE CCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)cs1 1498424334 VTYGUGQAANKTJZ-QGZVFWFLSA-N 437.529 1.835 30 10 IDEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1=O 1501017278 RXSAYKNTLCVLIA-UHFFFAOYSA-N 434.508 1.342 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1502284396 ACTHNOJYXAMIJZ-HSALFYBXSA-N 438.532 1.661 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1503829802 XSMQHHDZYMSNDK-UHFFFAOYSA-N 446.471 1.703 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H](C)O1 1504714540 PWOBREVWJUHLFO-SNRMKQJTSA-N 438.532 1.972 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC(C)C 1507522643 XHRQCGUHLFHWLR-OAHLLOKOSA-N 432.550 1.178 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2nncn2CC)c1 1507550075 UBWGKECOSCSACM-UHFFFAOYSA-N 429.488 1.989 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC=CO2)n1 1507717682 XWIKTJRRZJOMRB-OALUTQOASA-N 439.520 1.405 30 10 IDEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507746597 AIBQNKHWTIUYPO-CQSZACIVSA-N 444.948 1.112 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1507764643 SIJNVFQSXJHDTC-HXUWFJFHSA-N 429.546 1.712 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508145213 KRQOJYMTDLBRPJ-SJLPKXTDSA-N 447.536 1.324 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1C(C)(C)C 1508147874 CXNOBSGKVVFNCF-KRWDZBQOSA-N 439.626 1.866 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1518828432 UFEIGUUSCRWVNF-HXUWFJFHSA-N 425.489 1.927 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 1521308972 CCKZZHLSEPDVSL-CQSZACIVSA-N 425.532 1.515 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1525698438 DBJVKMSPXSABCC-MSOLQXFVSA-N 429.473 1.718 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCOCC1 1539154349 IVUUXVGXDOKAEA-KRWDZBQOSA-N 431.562 1.386 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539215837 JVQGBIBHTXUJEB-OTWHNJEPSA-N 445.545 1.018 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539454425 NNHQGJXLYDUCDI-KRWDZBQOSA-N 427.578 1.304 30 10 IDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1539758907 CCTIMXZCSFBEJY-FQEVSTJZSA-N 438.532 1.569 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539917331 BMUIGTZIRQGTGI-KRWDZBQOSA-N 431.585 1.478 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1540861801 HAHRIICICCHEQI-HKBQPEDESA-N 444.561 1.190 30 10 IDEE C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1541842764 DQJLSLJUMRKFRC-IAGOWNOFSA-N 434.552 1.610 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1C1OCCO1 1541907746 DIWIJRCHVJBFSM-GJZGRUSLSA-N 448.549 1.720 30 10 IDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1546851495 FROUMECXLMBANU-VGOFRKELSA-N 426.521 1.982 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)CC1 1547698961 ALLAJCJAHYOKGW-OPYAIIAOSA-N 437.564 1.470 30 10 IDEE CN(C)CCn1c(O)nc2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 1556457755 PAPUDYJNNVZQDV-HXUWFJFHSA-N 446.511 1.706 30 10 IDEE C#CCn1cc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1 1556465667 RJGSQOYDDUFLDO-UHFFFAOYSA-N 434.827 1.783 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)cc1 1557394699 LRTLYWYDMRDFJF-OAQYLSRUSA-N 425.554 1.987 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)s1 1558411837 WSNSTDSHSWHRNT-UGSOOPFHSA-N 427.548 1.492 30 10 IDEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1558778609 ZKLYUKQJAZXUGT-QGZVFWFLSA-N 445.520 1.705 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCN2CCOCC2)c2ccccc2F)CC1 1560070600 FWZAXEKDKGJMFZ-QFIPXVFZSA-N 431.556 1.657 30 10 IDEE C#Cc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1 1564013185 WXPSVDPAZMDSSK-UHFFFAOYSA-N 426.542 1.603 30 10 IDEE COCCN1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1566474574 FDXDPKHOVBXQEI-FQEVSTJZSA-N 442.516 1.710 30 10 IDEE N#Cc1cn(CC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c(=O)nc1O 1568679864 FITAIVSVARDNLO-CYBMUJFWSA-N 436.255 1.439 30 10 IDEE N#Cc1ccc2c(c1)N(C(=O)CN1C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc31)CC(=O)N2 1584358294 MYWBYWYREHACMR-UHFFFAOYSA-N 427.323 1.890 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1587975379 ZCWWFGBBFUMAHZ-QMHKHESXSA-N 436.516 1.674 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1588185878 PAGBTSJEVAWTFA-SFHVURJKSA-N 427.427 1.072 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1588387487 UTRATCKQPXANQX-JKSUJKDBSA-N 427.596 1.214 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1588930592 ZTIFFKXXFORXOQ-SFHVURJKSA-N 449.621 1.800 30 10 IDEE COC(=O)[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(C(F)(F)F)c1 1594654340 ZHOYMVDVSWXNMK-DZHJMQLISA-N 425.363 1.952 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595593529 FQMDBXIYXOSNBY-MSOLQXFVSA-N 440.548 1.841 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1596806219 DMHRRXAYIOQLAU-INIZCTEOSA-N 448.535 1.823 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3cscn3)CC2)n1Cc1ccc(C#N)o1 1608593396 YGXFMBRUXRSFSL-UHFFFAOYSA-N 440.533 1.708 30 10 IDEE Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1618675349 XUYLVZMXEAEJHT-UHFFFAOYSA-N 436.465 1.793 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1618705473 HXZICTANTOBUIZ-GOSISDBHSA-N 438.875 1.942 30 10 IDEE COc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1619323954 DTRMRXOGPZFUEK-SFHVURJKSA-N 428.493 1.623 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N[C@@H]3CCN(O)C3=O)c2C(F)F)C1 1624906127 AYXPBNMSAWJGSD-VHSXEESVSA-N 430.412 1.118 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)s1 1632206911 ZKSGIGRISNDKSK-GFCCVEGCSA-N 425.498 1.850 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@](O)(C4(C(=O)OC)CCC4)C3)cc2C1=O 1645551700 HRZREFLGQGVNKU-QHCPKHFHSA-N 426.469 1.779 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 1655164328 PIQBRFDWQBCTPO-UHFFFAOYSA-N 429.502 1.875 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 1657454047 FYEMZCKTOODUCM-QUCCMNQESA-N 447.532 1.977 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1669081155 DDAVVXADITTXML-HOTGVXAUSA-N 433.509 1.328 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CC=CCO2)c1 1689873539 MVHJFSNXHPQUQX-HXUWFJFHSA-N 448.527 1.802 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1689930689 XESNSEZNEZUYPH-ZWKOTPCHSA-N 448.593 1.176 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC(F)(F)F)C1 1689954181 OHNAKSXNVIQXQQ-HNNXBMFYSA-N 445.453 1.874 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1690013167 DLVSYHZMVDXGST-PXNSSMCTSA-N 446.511 1.316 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1690113780 USNKFFVCXFQJRO-IMSXRSKXSA-N 444.624 1.806 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC)C1 1690255579 SVDANAOUBHSKLZ-WPVAHCMFSA-N 447.580 1.946 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690308410 NBVNBCUYXUVBJE-UHFFFAOYSA-N 427.553 1.277 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1690682486 PWRHJEBCJZSEQD-NJAFHUGGSA-N 447.561 1.869 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)NC(C)C)C1 1690697351 TWIRRXISNGSIEI-KRWDZBQOSA-N 434.566 1.758 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690715039 BIXNWBBFASNFAE-JXFKEZNVSA-N 436.582 1.878 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCS(=O)CC1 1690720493 KPIPKDOGAMPNAS-UHFFFAOYSA-N 428.967 1.768 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN(C)C1CCCCC1 1692759410 FYEUCXRNGZWKES-HOTGVXAUSA-N 425.603 1.891 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCn2ccnc21 1692781111 CEBCWIJHHLDTCY-DOTOQJQBSA-N 446.581 1.792 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1696495651 ANUJBDVGSHHIBU-MRXNPFEDSA-N 438.941 1.657 30 10 IDEE CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C1)S(C)(=O)=O 1696752250 AAFMPLGVOUMEME-KRWDZBQOSA-N 446.577 1.695 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1705482423 YUYSCIFGKIEGAB-AWEZNQCLSA-N 425.518 1.393 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1705496108 ZWWXXXOPDBUZBC-CVEARBPZSA-N 437.591 1.682 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705563914 HUUIHFWQOMGPPK-KURKYZTESA-N 431.562 1.725 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1705565891 KLCJHUBNQNRVSA-INIZCTEOSA-N 430.559 1.724 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1705733269 KTXAHFYQIMLYGX-IBGZPJMESA-N 443.504 1.260 30 10 IDEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1705795317 HGDURLUAURJDFM-MOPGFXCFSA-N 440.548 1.727 30 10 IDEE C=CCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1[C@]1(OCC)CCOC1 1705893395 GXLRIOSLKXSYEB-FQEVSTJZSA-N 429.481 1.746 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705905123 KGPPWHYQBKGJKE-SFHVURJKSA-N 425.537 1.307 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCN1CCOC 1709336408 ZRPOEOXFZZZKGY-WOJBJXKFSA-N 437.548 1.642 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1710909737 SEHNDUHRKRSAHI-RAZKKESJSA-N 426.546 1.642 30 10 IDEE CN(CCC1CCOCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1711190150 XUUVSQGKOSEHPK-BWVDKLOVSA-N 444.536 1.909 30 10 IDEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1712171919 SUAKWXKXJFMONO-HNNXBMFYSA-N 425.468 1.916 30 10 IDEE COCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712370535 ZPLGLPBMRPQQGR-IRXDYDNUSA-N 426.525 1.585 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712884314 JXRFHDJQQZMMNS-ZWKOTPCHSA-N 447.490 1.349 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCN(C)C2)c1 1722304676 CHLRCJSOAPMERD-HSZRJFAPSA-N 433.516 1.396 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1722388205 QYZJKVRSCVMEST-JTSKRJEESA-N 429.521 1.574 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1722432644 BTXUPAPNPCEKRT-JTAQYXEDSA-N 431.581 1.891 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cncn1 1722469440 CXEHKULMZXMGIW-HXUWFJFHSA-N 425.518 1.632 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CCS(=O)(=O)N1CCSCC1 1722473329 SODYVXMPHVWVIN-LJQANCHMSA-N 425.624 1.847 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1722517881 OTBOOODFXHNLMK-GOSISDBHSA-N 434.566 1.765 30 10 IDEE C=C(Cl)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722558259 JACGBNUXIWXCBN-IBGZPJMESA-N 426.949 1.923 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1722641129 XWUKDKPNFNHFJT-HOTGVXAUSA-N 425.530 1.870 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@H]1C 1722696815 FHTVDWYKOFKADD-HUUCEWRRSA-N 431.566 1.775 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CCN(C)C)CC2)C1 1722711723 HUOYDGVLBQTARY-NRFANRHFSA-N 442.612 1.734 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729741547 OXIBTIUYCXJWJC-MOPGFXCFSA-N 437.529 1.633 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740589993 HNPQIGHIQUGEOP-KSEOMHKRSA-N 442.608 1.964 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740618190 DQZISSIMBDTZJB-AEFFLSMTSA-N 447.561 1.194 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccnc(-n2cccn2)c1 1740629108 APAJQLAIAUDODM-UHFFFAOYSA-N 430.516 1.898 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740722619 KONRTWVKNSTWEN-VQIMIIECSA-N 441.557 1.947 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1740767161 QHJHNYDKOOQCDT-INIZCTEOSA-N 444.565 1.920 30 10 IDEE C=C(C)Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740784928 CROSVAQLDWXJCG-FQEVSTJZSA-N 441.598 1.660 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740817652 OGBBBCHZKIGNIH-MRXNPFEDSA-N 442.486 1.934 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740841476 OOAOYRYEWVUTMJ-QGZVFWFLSA-N 436.582 1.084 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740965392 IKLYMLOMDOJZOD-UGPLMPIKSA-N 449.552 1.077 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1741391462 IJOLVQIMFZWBPS-NYAYQYMKSA-N 427.509 1.380 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1747419958 NDPGJPVNKYGXJS-APWZRJJASA-N 428.562 1.924 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1748291801 AZBABICTZOHMIW-GOSISDBHSA-N 440.533 1.441 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1748818575 CIQAVUZGEASZKW-ZWKOTPCHSA-N 438.500 1.619 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NCCC)c1 1748851685 JTUZLXDCBQXGCZ-UHFFFAOYSA-N 432.528 1.661 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2noc3c2CCCC3)CC1 1748971403 NZOOBCIKLLKURR-UHFFFAOYSA-N 439.564 1.867 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749034301 ZDPCWGGHICZACG-GOSISDBHSA-N 438.557 1.558 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749402089 JAULRHUXAAGCMJ-CVEARBPZSA-N 430.596 1.550 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749456384 DEXAJBMLRNAQMC-DLBZAZTESA-N 432.525 1.141 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1760181742 AWZQSMOLWLHVEB-IBGZPJMESA-N 443.573 1.654 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1760255276 GBNAJUKLSIVMMB-GOSISDBHSA-N 437.504 1.523 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)N2CCOCC2)CC1 1760255754 HUNVGRRPJWBQKA-UHFFFAOYSA-N 443.983 1.860 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760272419 JSRUSRCOQKMCTQ-HRAATJIYSA-N 435.594 1.947 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760358562 WPVYZDDSXRPLEY-DLBZAZTESA-N 427.571 1.283 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1)C1CC1 1760476715 DVBFNVNAYWEWDE-MJGOQNOKSA-N 437.610 1.692 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760519980 WNLUVQPCZUGQTE-UHFFFAOYSA-N 446.515 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H]1c1nncn1C 1760551894 VSQBKBJEQMDNRV-OAHLLOKOSA-N 431.522 1.917 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)cc1 1760557188 CFFAHMWCFNLSAD-UHFFFAOYSA-N 435.525 1.777 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1Cc1ccc(C#N)o1 1762250791 GEMMACDCJUCYNY-NRFANRHFSA-N 425.493 1.426 30 10 IDEE CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1764736933 OFDGVFDITTWCFM-ZPHPHTNESA-N 438.492 1.687 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1766249145 AOWXLVHKXKKPMZ-QGZVFWFLSA-N 425.537 1.500 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1768439766 SMWVDBKJJQWJLD-UHFFFAOYSA-N 446.519 1.197 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)C1 1770344661 URUFXINWVZRBAF-ZWKOTPCHSA-N 436.582 1.584 30 10 IDEE CCOCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1772882733 LZHKDMSWVCAVBI-UGKGYDQZSA-N 432.569 1.922 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)NCC#CCOc3ccc4c(c3)OCO4)ccc21 1849826428 ZOVIJODQADIBSM-UHFFFAOYSA-N 428.466 1.685 30 10 IDEE CN(CC#CCNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)Cc1ccccc1 1850059259 VLIYEMQPCMUSJN-UHFFFAOYSA-N 425.510 1.473 30 10 IDEE CN1CCN(c2nc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)c(C#N)cc2C#N)CC1 1851243657 AOLWBSZHKQGFMT-GOSISDBHSA-N 429.484 1.568 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)n1 1852983055 CWFWLFOQTFTEEL-IBGZPJMESA-N 440.529 1.240 30 10 IDEE CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1853612816 MLMRSFFOKJYIQL-HNNXBMFYSA-N 438.937 1.114 30 10 IDEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc1 1862755606 FHWIHRNYKITMHF-QGZVFWFLSA-N 426.381 1.952 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(F)c1 1865728198 CKHDRHWAYIZTNO-HNNXBMFYSA-N 426.448 1.118 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCC(CO)CC1 1870394740 BWNFHMWJDQWFPV-UHFFFAOYSA-N 425.529 1.934 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 1890387477 PHYNEPQTVCXLLC-UHFFFAOYSA-N 443.972 1.900 30 10 IDEE C[C@H](C(=O)N1CCC(COc2nccnc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892204001 IIZMLVIMUBLXFP-MRXNPFEDSA-N 443.529 1.820 30 10 IDEE C[C@@H]1CS(=O)(=O)CCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116073970 YICPBHVDIKJJOL-LLVKDONJSA-N 431.161 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2255629538 XFXDBHBNRZDMQX-IPYPFGDCSA-N 432.330 1.837 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255652293 RZKDEZGUYIRVOU-UKRRQHHQSA-N 434.346 1.847 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255660719 JWSPUVIQMQQJKH-OLZOCXBDSA-N 435.334 1.242 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)NCC3CN(Cc4ccccc4)C3)c2)OC1(C)C 2255751789 CUTUXDRZYFWTFW-UHFFFAOYSA-N 443.378 1.791 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2258308818 NFDZIAHXZUSJRY-UHFFFAOYSA-N 441.309 1.180 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H](O)C1 2267598747 DZVUFCMPVRSDMP-INIZCTEOSA-N 449.357 1.378 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2315599824 XKTQDWIIBMFBFG-UHFFFAOYSA-N 426.326 1.416 30 10 IDEE Cc1c(C(=O)N[C@H](CCO)COCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2343506576 FXZWKRHRWMOOER-GOSISDBHSA-N 443.353 1.725 30 10 IDEE CCS(=O)(=O)N(C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2365292543 VCOOBWSSDKEKEE-UHFFFAOYSA-N 444.793 1.176 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 22845419 XPLQOCWXILGGBM-IBGZPJMESA-N 427.482 1.574 30 10 IDEE C#CCOC[C@@H](O)CN(CCOC)Cc1nc2sc(C(=O)OCC=C)c(C)c2c(=O)[nH]1 36207346 GDMFRMSOVWIVHQ-HNNXBMFYSA-N 449.529 1.095 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 433224649 BQVLZWFAGIHZFV-XMSQKQJNSA-N 439.516 1.011 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 476722599 JPXZQFOOQNDPHA-UHFFFAOYSA-N 449.558 1.004 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 478754050 NMUMTFFPFNXLLA-UKRRQHHQSA-N 431.539 1.044 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 478759421 XSJLDLTZEHQBEK-DLBZAZTESA-N 442.512 1.727 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 480521774 GHMUDLLBYKQENK-DNVCBOLYSA-N 426.498 1.315 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c(F)c1 481029117 ZGZWYMYZTSXKSM-MRXNPFEDSA-N 433.461 1.441 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 483095704 BRFHRXMXTPGMTN-YJBOKZPZSA-N 432.546 1.522 30 10 IDEE Cn1cc([C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C(F)(F)F)cn1 487750227 MGKNVRSPQWSGHR-HOCLYGCPSA-N 434.378 1.917 30 10 IDEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 489453769 TUEZUFQOSFPZCN-UHFFFAOYSA-N 429.502 1.861 30 10 IDEE Cc1ccsc1[C@@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 494669227 AXLAWKWFFLPPEE-QGZVFWFLSA-N 448.570 1.084 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C#N)c2ccc(Br)cc2)cn1C 499429441 CTICIEYRRJMCCW-CQSZACIVSA-N 440.323 1.541 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 507729662 ATGDTMHLAQTFBQ-HOTGVXAUSA-N 447.605 1.594 30 10 IDEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510621715 FMPGXCUUWRJUBG-QGZVFWFLSA-N 431.884 1.045 30 10 IDEE C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N1CCS(=O)(=O)CC1 521105755 YDPCUBWYLJOHGS-AWEZNQCLSA-N 428.470 1.121 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 533413586 YQDJUTINFCZSSZ-HNNXBMFYSA-N 445.545 1.825 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC(C)C 543658634 RXBFOFSRIRDSQN-UHFFFAOYSA-N 444.513 1.048 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)CC2)n1 544853382 BNEYCWZEJSSKDF-NJYVYQBISA-N 430.512 1.942 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 612196751 BEFUAQHWRFSWRG-UHFFFAOYSA-N 431.583 1.422 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(C2CCN(C(=O)C(C)C)CC2)C1=O 726886812 AHYCBWIXCKGTDA-MRXNPFEDSA-N 447.561 1.805 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Br 732668887 BGPWXJFWYTUKBF-LBPRGKRZSA-N 428.308 1.597 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 733150576 NXSKZHYUSNLSHO-LKGOPFMKSA-N 425.529 1.706 30 10 IDEE COc1ccccc1NC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745494858 CNUDMQHWAGXAQU-CYBMUJFWSA-N 431.470 1.694 30 10 IDEE CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747494509 CHCJADSMFXBKPP-UHFFFAOYSA-N 430.486 1.510 30 10 IDEE C[C@@H](C(=O)OCC(=O)NCc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752613257 HRBIWWXYOQUEGW-OAHLLOKOSA-N 429.498 1.772 30 10 IDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H](C)C1CCOCC1 756533720 UOLKPHTVSVRFBW-AWEZNQCLSA-N 427.457 1.972 30 10 IDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 757385601 GDOJTINLOAYORY-ZIAGYGMSSA-N 432.502 1.251 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2OC)C1 760311559 QKLRUXKWPWBWMB-CZUORRHYSA-N 433.534 1.567 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccc(C)cc2)sc(=Cc2cnn3ccccc23)c1=O 764979862 KJMLAJBFNWYGOM-UHFFFAOYSA-N 444.516 1.898 30 10 IDEE C#CCN(C(=O)NCc1ccccc1CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 774168384 WOPBKYMIRITMOZ-OAQYLSRUSA-N 432.590 1.156 30 10 IDEE COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 782922618 JKRDAVGIRAORPW-UHFFFAOYSA-N 448.548 1.666 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 784544967 DLMKCZBGHBVSBB-BBWFWOEESA-N 441.513 1.999 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1 788546424 GOSYMDRSTUANLE-UHFFFAOYSA-N 433.534 1.756 30 10 IDEE Cc1cc(C)c(N2CC[C@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)c(C)c1 788786476 ISYPOFIFQDSGGA-RJCBAWPRSA-N 425.489 1.543 30 10 IDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cc(Br)nn1C 789967779 HXMNQFQIVRSUOJ-SNVBAGLBSA-N 439.343 1.659 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCc1cccc(OCC(F)(F)F)c1 793003261 GDAWRQMHHFSZQE-WUKNDPDISA-N 426.395 1.996 30 10 IDEE CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 794428334 UYECLOCLZUFSFY-MRXNPFEDSA-N 429.550 1.498 30 10 IDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)n1cnc(C#N)n1 798401804 HDIKSQRFENLBOK-BJTZIBPKSA-N 429.506 1.942 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\Cc2cccc(C(F)(F)F)c2)N(Cc2cnn(C)n2)C1=O 807937450 DHLQFIXTQDZRQU-UIFJYSFJSA-N 440.451 1.970 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C(=O)OC)s3)cc2C1=O 917434990 FZJZAPHGUFUCSH-UHFFFAOYSA-N 434.451 1.435 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)c2nc[nH]n2)ccc1F 1140665991 BLNFVICARAQFGJ-INIZCTEOSA-N 429.477 1.970 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 1167025170 VXRDZBQATLEZCP-JOCHJYFZSA-N 441.488 1.472 30 10 IDEE N#Cc1ccc(=O)n(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 1189503177 CBZLFPVZHBKFPJ-UHFFFAOYSA-N 426.498 1.484 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](F)COC)c1 1286308691 BZUDESGOHPMCLV-WBVHZDCISA-N 428.468 1.270 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1286387248 BWDDNGLTGAAMTF-INIZCTEOSA-N 437.953 1.783 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1286388322 NJAVBZJHLMOANB-FQEVSTJZSA-N 443.573 1.660 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286395282 ZIRJVNHNZSNJQK-YOEHRIQHSA-N 437.591 1.543 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1286407071 BNVHGUUZEMHRSR-LJQANCHMSA-N 439.541 1.307 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1286415038 GOHRLCTVYJIEBY-KRWDZBQOSA-N 428.537 1.777 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1286467368 OVZGLFKEEISCDS-ZWKOTPCHSA-N 446.577 1.349 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@](C)(O)CC)CC1 1286478729 FMORJLAYZANLCV-HSZRJFAPSA-N 435.532 1.108 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)nc2)CC1 1286489774 BNLPQVRRSOMUGQ-UHFFFAOYSA-N 432.488 1.153 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1286509730 XFRPXTHSPGLDNB-CVEARBPZSA-N 427.596 1.356 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)ccc2C1 1286787279 FBTDRHPRGDVAGZ-INIZCTEOSA-N 433.509 1.184 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1286804136 LUYZEVZZJCRVLY-HYFFOGBASA-N 433.553 1.626 30 10 IDEE CCCC(=O)NC[C@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1293782890 AFUZXPLQVLTBJR-DVSFIDLUSA-N 429.525 1.246 30 10 IDEE CN(C)c1ncc(Br)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1296166510 HEYJONSBZWWBPV-JQWIXIFHSA-N 439.314 1.794 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1296625009 DCJFLJJCKRBLTB-KZYMUQIBSA-N 444.536 1.693 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1 1300428581 JIDZJAZCSYTUEN-HKUYNNGSSA-N 427.505 1.971 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300497027 XDAVJRWBPIHMFH-AQNXPRMDSA-N 449.621 1.673 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C(F)(F)F)cs2)CC1 1300696284 WRYKPNSXENGQMD-UHFFFAOYSA-N 436.467 1.957 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)NC)CC1 1300725983 GYUDLFUWGBKMJJ-UHFFFAOYSA-N 426.496 1.110 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301415456 VIRVIUHDZBHUAU-OAQYLSRUSA-N 434.562 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC)C(=O)C1 1301585302 LMCWKLLXQBXOPE-UHFFFAOYSA-N 432.550 1.308 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCOCC1 1302069399 RZGRYSKWTJUTSO-UHFFFAOYSA-N 439.520 1.359 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1304964082 IKIQMVQLQMZTNO-IDTVMJBPSA-N 427.509 1.380 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1304964083 IKIQMVQLQMZTNO-NSBOWFCGSA-N 427.509 1.380 30 10 IDEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)nnc1-c1ccco1 1305892976 RXHXMSSCWCZPCA-UONOGXRCSA-N 439.563 1.780 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCCCCC1 1306193886 HOCCTBVNPGOLLH-UHFFFAOYSA-N 425.585 1.957 30 10 IDEE COc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1315507643 RROUSZRRZPDRED-NVXWUHKLSA-N 429.477 1.932 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)F)CCO1 1316541248 UOMNNZXAOWKTDI-GFCCVEGCSA-N 426.449 1.628 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960525 GNVGFOAGWCSZDF-QGZVFWFLSA-N 432.550 1.122 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358964486 ZXPOAGCCOMHDQM-KBPBESRZSA-N 440.476 1.049 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2nncn2C)CC1 1359042558 LJNARUIKUCQAPU-UHFFFAOYSA-N 432.532 1.650 30 10 IDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COC)CC1 1359085824 AGIIJXWZLHDVIA-UHFFFAOYSA-N 435.326 1.468 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1359255912 OMGUXLHUHLRPAZ-HNNXBMFYSA-N 432.550 1.723 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1359324313 ILDMIJOENDCOGA-HOTGVXAUSA-N 430.534 1.700 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1359329628 PBZYBTCMUXXQCX-UHFFFAOYSA-N 442.545 1.476 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C)C1 1359329944 ZXASPZNRCJGVHJ-OAHLLOKOSA-N 434.518 1.542 30 10 IDEE Cc1nc(=NC(=O)c2cc(I)nn2C)n(-c2ccc(C#N)cc2)[nH]1 1360810187 OIDLENGUCNAFKW-UHFFFAOYSA-N 433.213 1.460 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)s1 1442294122 MBOQWDJVWVNKRZ-UHFFFAOYSA-N 428.557 1.475 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1444958837 NWEHOVIYYJWTBX-SJORKVTESA-N 439.472 1.155 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1452493069 XTWPJVVPZJKPSL-KRWDZBQOSA-N 443.485 1.482 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 1454294376 HPEOLFPFQDCUPT-KSFYIVLOSA-N 440.537 1.879 30 10 IDEE COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1456613697 DXPVHJGOCURZKY-RXDHQFPFSA-N 447.513 1.309 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1464416774 DVEMIZBRCDINTN-OKILXGFUSA-N 425.445 1.099 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCSCC1 1464955382 XIHHYQAEUVEXRZ-HNNXBMFYSA-N 435.612 1.731 30 10 IDEE CCCNC(=O)CN1CCC(NC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1467645495 BAHSQLAKUPVZLQ-UHFFFAOYSA-N 426.565 1.817 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCN2CC3(CCOCC3)C2)ccc1F 1471316989 KJFIWEWQJSIWFK-UHFFFAOYSA-N 425.526 1.474 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1505082361 QFNURQRPYLFTEF-BJLQDIEVSA-N 446.552 1.524 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1507515414 HFPHORJBTUCYBZ-IAGOWNOFSA-N 441.561 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2nncn2C)CC1 1507742285 FZPGWDVVUCKLRJ-UHFFFAOYSA-N 436.495 1.151 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC(N)=O 1507781633 DYWOFNRYCALTKN-SNVBAGLBSA-N 425.287 1.615 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507784127 IHQAAHBNQCHOJQ-BBRMVZONSA-N 431.356 1.706 30 10 IDEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507950798 YZRFLJVWAUDVFU-AWEZNQCLSA-N 430.459 1.260 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOC(C)(C)C 1508073050 GXGVLCYAGBWWRK-UHFFFAOYSA-N 439.524 1.474 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508080975 UWXULUAQOJGTKU-OAHLLOKOSA-N 442.545 1.362 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nncn2C)C1 1508115750 GNUMEVBNEZIRMG-MRXNPFEDSA-N 443.533 1.307 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1519353054 BYCJXEOJJKEGJZ-UXHICEINSA-N 427.505 1.864 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519607089 RMMBSDIZEWAKGU-UHFFFAOYSA-N 439.501 1.029 30 10 IDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1534131727 AVEPCBZELCECLS-MRXNPFEDSA-N 440.518 1.402 30 10 IDEE CC(C)(C)OC(=O)[C@@]1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1538410488 UFMQPWNJLZPLLD-OPAMFIHVSA-N 442.472 1.380 30 10 IDEE Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(N(C)C)nn1 1538928236 QETZCFSWPSMHCD-UHFFFAOYSA-N 428.518 1.762 30 10 IDEE C#CCCCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1539141062 RYUMQSIXLZKVFI-NFBKMPQASA-N 430.597 1.560 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1539315826 VSIXNAYEVKQCIY-UHFFFAOYSA-N 440.511 1.920 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCSCCCO)CC1 1539480908 GHIFRKDGNQEMTK-GOSISDBHSA-N 435.594 1.601 30 10 IDEE C=CCC(CC=C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1539728335 IUKJWQAOJJAHQC-UHFFFAOYSA-N 434.562 1.520 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1540036676 RIYTXTDKZTWHDN-GOSISDBHSA-N 437.610 1.838 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1540130752 AJDVMQBEHYKIBD-KRWDZBQOSA-N 433.505 1.468 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1540871865 VTGKFDIVVDEZCS-PKOBYXMFSA-N 433.553 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCC2CC2)C1 1540901680 MAWAEXPDQOTREK-GOSISDBHSA-N 434.566 1.675 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)c3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)C2)cc1 1556131000 AVDRBBTUXQOUEM-UHFFFAOYSA-N 441.509 1.607 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1570227613 NFTXXHRLXCSKHA-QGZVFWFLSA-N 428.466 1.733 30 10 IDEE CCS(=O)(=O)NCCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1583985788 ZOUOHHOWGBWGOQ-XAUUPUKJSA-N 428.555 1.219 30 10 IDEE C=CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1586113467 RDTAOKUIQMAXNW-INIZCTEOSA-N 426.535 1.308 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1594569148 ZQYGSBALQXKPFR-ZNMIVQPWSA-N 426.543 1.179 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C 1595465992 CBGYWYOBBVPZDS-AWEZNQCLSA-N 432.912 1.389 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CN2CCOCC2)CC1 1595522831 KVTQYOKWZJTRLN-UHFFFAOYSA-N 427.553 1.134 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595593402 COVMWKYXIOMPAP-KRWDZBQOSA-N 449.602 1.804 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595595519 WYRNLFWQASDKFG-IRXDYDNUSA-N 443.460 1.282 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C(=O)NC 1595639997 QOIOKANTNAIACD-KRWDZBQOSA-N 440.548 1.946 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595812185 PABLNUUFONXGKK-MOPGFXCFSA-N 447.561 1.249 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1C(=O)NC2(CCCC2)C1=O 1596784054 YKGVUHYPRWTEST-HNNXBMFYSA-N 444.540 1.267 30 10 IDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(Cc3ccsc3)CC2)C1=O 1613514954 GLSKUAABCVXVCB-QFIPXVFZSA-N 437.525 1.731 30 10 IDEE C#CCN(Cc1cc(=O)n2nc(N)[nH]c2n1)[C@H]1CCOc2ccc(Br)cc21 1615535762 MYMWKGURSXUUGW-AWEZNQCLSA-N 429.278 1.721 30 10 IDEE CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1615643866 LUFWTYJGXCQUDT-UHFFFAOYSA-N 435.536 1.944 30 10 IDEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cn1 1617665028 CJUKUDSRTBCDMX-GOSISDBHSA-N 443.577 1.820 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1617693574 NEWMPQLRZKZJAV-WOJBJXKFSA-N 431.585 1.174 30 10 IDEE CN(c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1617738431 KFBYJILEGHUMCC-UFOSLELVSA-N 425.518 1.808 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1620168813 SPTNZOVVUBOZCI-LJQANCHMSA-N 442.545 1.634 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)cc1 1624944395 AUFYEAOSRKNUME-BLLLJJGKSA-N 438.531 1.722 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1627091141 HNLYHBRXKUNMAF-UHFFFAOYSA-N 443.525 1.492 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)c1 1627431898 BPOAVMNTDKUFJZ-SFHVURJKSA-N 448.541 1.357 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1627842597 FAUWLZJWGJWFPF-UZUQRXQVSA-N 441.532 1.922 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1)c1cc[nH]n1 1629001381 NWSIDULUIUBZHH-UHFFFAOYSA-N 436.490 1.655 30 10 IDEE Cn1cc([C@@H]2[C@@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC(=O)N2C(C)(C)C)cn1 1629308513 BPRGHDOKWGZYGX-JKMRNHAYSA-N 442.520 1.141 30 10 IDEE C#CCN1CCCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1629536834 FPEUAALHNNBXKC-UHFFFAOYSA-N 433.452 1.421 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1632082600 CPFHBTRKEJXXQM-VFNWGFHPSA-N 426.510 1.225 30 10 IDEE COCCCn1nc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)ccc1=O 1632253929 UTTPLDPGEUKIGE-UHFFFAOYSA-N 447.499 1.504 30 10 IDEE C[C@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1633929428 FFYNZDRXDHAANF-MRXNPFEDSA-N 442.520 1.070 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)CC1 1670610354 QXTZQHRVWZWHID-UHFFFAOYSA-N 445.549 1.182 30 10 IDEE C#CCOc1ccccc1NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1676479769 DKRVAYOYBOXQOF-UHFFFAOYSA-N 428.514 1.961 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)Cc1ccc(F)cc1C 1683409885 LKZUKWUPEHFMMV-IBGZPJMESA-N 438.507 1.837 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1685126916 BJIDLACQWFJYEK-DJIMGWMZSA-N 441.536 1.681 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1689949464 DVDKIJWEMYJFEA-UHFFFAOYSA-N 448.545 1.865 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1689998810 XDNDGQKTAWWBDA-SFHVURJKSA-N 440.548 1.986 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1690043634 IAGIMFWHZIFPCP-SSEXGKCCSA-N 427.530 1.770 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC[S@](=O)C(C)(C)C)CC1 1690113281 FLQPHQSLHHEMDG-JWRCQZCYSA-N 425.599 1.305 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690238766 NGIQWGCJDWOLQI-RLLQIKCJSA-N 441.532 1.886 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(C)(C)CN1CCOCC1 1690327886 ABPAZOBKJQJCNF-HNNXBMFYSA-N 449.021 1.435 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1693397999 QBYRWVKEHKOWLQ-ZDUSSCGKSA-N 446.537 1.388 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCc1n[nH]c(C)n1 1696329104 IEHMUZQDQQBOAW-UHFFFAOYSA-N 439.499 1.821 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COCCO1 1697627712 DZCROBONLCFFTM-HZPDHXFCSA-N 431.518 1.723 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C[C@H](C)O1 1697910155 GALDZRXAMCNYKV-LPHOPBHVSA-N 427.505 1.884 30 10 IDEE COCCn1cc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1698073973 QHCRYECQTNHWQG-NHCUHLMSSA-N 447.515 1.652 30 10 IDEE COCCOCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698225833 GBGUNOFNBFTLRT-UHFFFAOYSA-N 435.488 1.462 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492684 FEOULVXHCLHJEE-FXAWDEMLSA-N 449.490 1.476 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1705480323 TYJHNCVOSPNXCU-UTKZUKDTSA-N 447.561 1.367 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1705628435 GPQKCEMWRGHXNL-SJORKVTESA-N 430.530 1.442 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1705669268 HOMWLQRONOSWTR-DHIUTWEWSA-N 438.532 1.853 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1 1705907125 ALQDDKITCCEYII-UHFFFAOYSA-N 440.474 1.126 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C(C)(C)C 1706878769 GTDDCCYVCGTDKO-LIRRHRJNSA-N 439.586 1.181 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1709352370 GIJNYDNMOWERJJ-XSAFGROZSA-N 430.509 1.314 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1710015788 BOFOVFROPKQJAC-HOTGVXAUSA-N 431.566 1.729 30 10 IDEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C1CCCC1 1711207869 FLEKTLUQQKHLKV-UHFFFAOYSA-N 428.562 1.926 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC2CC2)c1 1712686696 BWPOMOKAIWURSO-FQEVSTJZSA-N 446.508 1.317 30 10 IDEE CS[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1712724603 MKJCYAFLJZLEFO-OAHLLOKOSA-N 428.566 1.761 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722308342 KYSVSCCAYXBCGY-WBVHZDCISA-N 433.582 1.939 30 10 IDEE C#CCCCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1722338745 LZYAALGQBCZDKS-FQEVSTJZSA-N 439.582 1.252 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722358533 CRBOCEDTZHCOIN-RDJZCZTQSA-N 447.561 1.778 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722366658 ITUWPAICNKHVSS-RBUKOAKNSA-N 441.557 1.407 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1722438235 UFNKZTOFKCVLGN-SFHVURJKSA-N 429.546 1.011 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722537478 BHYJTVXELCIEHG-GNBUJSLZSA-N 433.553 1.652 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1722675654 QNXGHGQNQFMUCZ-DENIHFKCSA-N 446.573 1.914 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722697113 WEVLVGOXCRKKFP-UHFFFAOYSA-N 440.529 1.682 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722698091 UOXRXZFVTVZEJT-UHFFFAOYSA-N 438.536 1.266 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1727703264 JTFGREJMGCCJPJ-ZXYRZGOHSA-N 441.536 1.552 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCC[C@@H](C)C2)CCOC1 1728815182 CWPUAGZHBRPXOJ-VQQMMKBISA-N 432.569 1.779 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(C)CN(C)C1=O 1730749610 CFJXQBFDNQQWJQ-AUSIDOKSSA-N 438.532 1.785 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740577043 PXIVIFUZSBSORY-HXUWFJFHSA-N 439.564 1.923 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1740653104 ZXPAQTTTWMKWJF-UHFFFAOYSA-N 445.527 1.427 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1740707597 IMORQAKVRKIRFT-WMZHIEFXSA-N 445.564 1.509 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1 1740709594 JEQKBMFSEISPAJ-UHFFFAOYSA-N 427.578 1.878 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)ccc2C1 1740985223 DMHWEEGVUANTBM-UHFFFAOYSA-N 435.525 1.719 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740992177 MPFTYJGWXCGNRO-UZLBHIALSA-N 426.583 1.852 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCS(=O)(=O)C2)CCOC1 1741123938 CFUWTANFNGSUQE-HLIPFELVSA-N 439.582 1.739 30 10 IDEE CC(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1741342227 YFHXUGYUVWSJHU-NYAYQYMKSA-N 427.509 1.175 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1743354683 DUTQBVRHOIMBNT-WBVHZDCISA-N 430.534 1.323 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(C)(=O)=O 1748005835 FWFXUJOWVGOOGX-HNNXBMFYSA-N 445.318 1.533 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1748725246 XFQVTODUEXEHII-IBGZPJMESA-N 425.537 1.614 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748811323 DSWLUJHZNZHXRA-RCCFBDPRSA-N 444.561 1.567 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1748905308 CIFUOGFGQWFIDL-KRWDZBQOSA-N 444.605 1.447 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1748944861 HMHHPPIXMJSXPC-SJLPKXTDSA-N 445.520 1.238 30 10 IDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(C)(=O)=O)CC1 1748986900 LKRUSIAQHBEOAP-UHFFFAOYSA-N 426.546 1.237 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOc2ccccc2)CC1 1749303002 CQBDNPMQOOFHCM-LJQANCHMSA-N 447.561 1.846 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749402107 JNLDFRBFWBHUHW-JKSUJKDBSA-N 445.611 1.007 30 10 IDEE COC[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749522665 FNVZQGXAQWECKR-LTCJTPMSSA-N 430.509 1.519 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1F 1749669559 LUXUQGFETYIYPZ-CABCVRRESA-N 435.525 1.819 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)C1 1749717560 MFQWMUAJIHDMTN-SJORKVTESA-N 437.566 1.149 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1749830210 GLHYEPJIBOHZJO-IAGOWNOFSA-N 447.565 1.006 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1750062393 GGXCRARYLCZOHS-OAHLLOKOSA-N 433.534 1.486 30 10 IDEE CC(C)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1750524564 PQSPSDDDKCSDAY-MRXNPFEDSA-N 431.928 1.833 30 10 IDEE C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1752384744 QKJAHXFBMVYIMD-SIUCFOQUSA-N 436.516 1.815 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760121930 WKELHGZICGYAHV-QGZVFWFLSA-N 435.532 1.977 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760152391 KUSOXHOYBCHLAA-UHFFFAOYSA-N 432.488 1.690 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760156216 ZKVDHAULIPIJFY-GOSISDBHSA-N 426.546 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1760217910 QSJLWSPNMVOBBA-SFHVURJKSA-N 445.527 1.778 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)[C@@H](C)CCC)CC1 1760262846 DOVLLLFVGVNWAN-KRWDZBQOSA-N 443.621 1.941 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(C)noc2C)CC1 1760266019 OCVDGEFSZQONCB-QGZVFWFLSA-N 444.536 1.621 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1760273265 NCZAAWLKNIXLKK-UHFFFAOYSA-N 428.566 1.389 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC)C1 1760313739 PQQHDTCRASCVJB-LMMKCTJWSA-N 442.520 1.758 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760353128 ICFKCOLKJMAELI-OAHLLOKOSA-N 444.923 1.338 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1760520815 AGWDGHCEKVZJKQ-ZWKOTPCHSA-N 426.521 1.400 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760526092 DERWWNFOKVELSL-SFHVURJKSA-N 440.548 1.833 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H](C)C#N)CC1 1767109374 QTRHSKCYMSLYMF-YRPNKDGESA-N 433.601 1.624 30 10 IDEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1767769564 DLRATFXMUGKRAS-QZQOTICOSA-N 435.488 1.849 30 10 IDEE COCc1nocc1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1769393092 BSQJZXQDNDVHDW-KRWDZBQOSA-N 428.424 1.908 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2cc(C(=O)ON3C(=O)c4ccccc4C3=O)nn2)C1 1772794046 YLUDDBWINZXFPB-UHFFFAOYSA-N 427.417 1.513 30 10 IDEE C=CCN1C[C@@H](C(=O)NCCn2ncc3c(=O)n(Cc4ccc(C)cc4)cnc32)CC1=O 1850136411 IDVVZLIBXXYGOG-SFHVURJKSA-N 434.500 1.100 30 10 IDEE CN1Cc2ccccc2C[C@@H]1C(=O)O[C@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1856458054 DBAYJVKFMZXSRG-UYAOXDASSA-N 427.482 1.463 30 10 IDEE CN1Cc2ccccc2C[C@H]1C(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1856514582 NAJPJULXKCHABU-MOPGFXCFSA-N 427.482 1.463 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862592322 AHNHKHZHYMLVRI-FQEVSTJZSA-N 438.436 1.878 30 10 IDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)CCS(=O)(=O)c1cccc(Cl)c1 1866887779 WVZUARKZOLUWHA-QGZVFWFLSA-N 435.889 1.491 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)CC1 1889464908 UAQQORGEKNRWLA-UHFFFAOYSA-N 441.572 1.649 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085655435 XGYXWKJUQJEPBA-GJZGRUSLSA-N 433.314 1.690 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2244993845 RJFBZACCURMJOC-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248402436 WZIUBWBRVJKTIL-WFASDCNBSA-N 440.371 1.938 30 10 IDEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255668735 DJPPBKZZPGVERL-HIFRSBDPSA-N 432.330 1.761 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696546 VNFVBLLJTBDKML-DZGCQCFKSA-N 432.330 1.809 30 10 IDEE Cc1c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255822378 MEPWZLWPSZEDAQ-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255848201 XUZPSUMPFRWUGI-LSDHHAIUSA-N 436.314 1.991 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2256913569 KRGARANHRCJUTO-UHFFFAOYSA-N 427.310 1.925 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2259345179 DIDYTTKDFPWLBG-HIFRSBDPSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266998023 WMOOPUVNJGUFJM-UHFFFAOYSA-N 447.341 1.340 30 10 IDEE CC1(C)OB([C@H]2C[C@@H](C(=O)N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)C2)OC1(C)C 2267118171 IYSPKKZBJGGNHW-FVCCEPFGSA-N 447.263 1.240 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)n1 2267190637 RGAWNHSNBMNQNG-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269047573 VDCHMSSQLDOEPM-WMLDXEAASA-N 441.293 1.564 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccncc1)n2C[C@H](O)COc1ccccc1 254854573 QMXYJBFAMZGUCZ-HNNXBMFYSA-N 435.444 1.117 30 10 IDEE C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O 255198797 BGSOJVFOEQLVMH-BULBTXNYSA-N 442.445 1.899 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 437628343 WAQCAXBROODPTE-PBHICJAKSA-N 429.564 1.549 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 481036430 NZNPEHSXXYKGJK-CQSZACIVSA-N 440.547 1.404 30 10 IDEE C=CCN1CCC(NC(=O)C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1 482747353 AOOKEEHGZWWPTA-UHFFFAOYSA-N 429.561 1.935 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1C[C@H]1CCCO1 485933503 NWPBHLMQVUKSOJ-MRXNPFEDSA-N 449.935 1.909 30 10 IDEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508460312 BLEIMTVTEXGMEA-UHFFFAOYSA-N 427.900 1.044 30 10 IDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 509413492 GZZJLORIVLJVBV-CQSZACIVSA-N 447.483 1.740 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)CC1 540706896 VNNKZMRLSVRAQQ-REWPJTCUSA-N 440.544 1.194 30 10 IDEE CCn1nc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C)c2=O)c2ccccc21 547436023 CWADHRLWDMRQGL-UHFFFAOYSA-N 443.532 1.826 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(Cc2ccccc2)c1=O 551924381 YFIOGOFFZARSTJ-UHFFFAOYSA-N 447.564 1.562 30 10 IDEE COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)ccc1C#N 589474511 AWARZPUOAWAWEF-UHFFFAOYSA-N 429.498 1.826 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 609645305 BWHGHMZLQKTWRN-MRXNPFEDSA-N 441.509 1.714 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 623010632 MSARDYRPEHVSJK-UHFFFAOYSA-N 447.919 1.663 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 670198160 VFBJOXOUBNDGHX-ZIAGYGMSSA-N 439.542 1.549 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccsc2Cl)c1=O 682875685 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COc1ccc(CNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2OC)cc1C#N 793915864 YXNUQGILBPMGGG-UHFFFAOYSA-N 427.457 1.568 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NN=C2NS(=O)(=O)c3ccccc32)C1 794492089 CPCPPVOFNHVETE-AWEZNQCLSA-N 449.533 1.474 30 10 IDEE C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C1(S(C)(=O)=O)CC1 806219183 FZOINQFHNKNXTA-QIAIEURZSA-N 442.563 1.587 30 10 IDEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cnn(C)n2)C1=O 807930345 QNJPKQKNNHQDSG-KRWDZBQOSA-N 447.540 1.544 30 10 IDEE NS(=O)(=O)c1ccc(C=NNc2nccc(N3CCOCC3)n2)cc1Br 807975842 AIELOVLBFKLJAP-UHFFFAOYSA-N 441.311 1.169 30 10 IDEE N#Cc1ncccc1COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 813166482 WVXCLUSJBBIIQJ-UHFFFAOYSA-N 442.497 1.310 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CCO2)C1 817501692 MAHNJZNLAXYJNN-UHFFFAOYSA-N 449.529 1.321 30 10 IDEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CCS(=O)(=O)C2)C1=O)NC1CC1 914551372 BMPJEZOCACBKEA-CABCVRRESA-N 425.507 1.613 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 1136672173 DHSVGUSKMAAGEI-AQTLKONXSA-N 434.246 1.173 30 10 IDEE C#C[C@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1158491886 LDWFLXJVRVJXQJ-HXUWFJFHSA-N 439.965 1.871 30 10 IDEE C[C@@]12CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@]1(C)CS(=O)(=O)C2 1175946473 LFKNYTYKFSQHGF-FFZOFVMBSA-N 436.603 1.214 30 10 IDEE C#CC1(O)CN(C(=O)[C@H](CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 1179978533 KENGSYABBLHHTP-ZDUSSCGKSA-N 437.370 1.600 30 10 IDEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1180234364 HQPWQVZXVOSGPT-SFHVURJKSA-N 435.521 1.453 30 10 IDEE N#CC1(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCOCC1 1180609409 AKOWOXFPSMYZPT-UHFFFAOYSA-N 430.324 1.554 30 10 IDEE C=CCN1CCC(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1186643403 LPBWDDYTEQEFEZ-PMACEKPBSA-N 437.562 1.592 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)CC1 1199873008 VKPWRXBLXNDZKK-UHFFFAOYSA-N 427.549 1.279 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)CC1 1224060063 MZDFVLGHYGSVJQ-QGZVFWFLSA-N 428.505 1.847 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286387820 IPCBLVSZHWWZGH-GOSISDBHSA-N 447.561 1.196 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1286402319 WCCZJYRJMUPSNU-UHFFFAOYSA-N 435.488 1.090 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1286424916 QKHBXWQYQNBCOF-FQEVSTJZSA-N 441.495 1.944 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CSCCS2)CC1 1286485535 PCMUWRRAAYRHHA-BZSNNMDCSA-N 437.635 1.606 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1286773974 WJTZTAMENDFRMR-MRXNPFEDSA-N 441.579 1.360 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 1286787964 NNQNYNAZSASCLJ-QHCPKHFHSA-N 449.563 1.884 30 10 IDEE C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1291162374 PLFJFMGYBCFPHW-PLGXQAJASA-N 441.536 1.628 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1300309551 HURAWIYHCMTCCP-IUODEOHRSA-N 438.579 1.191 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCCS1(=O)=O 1300433091 XWEVEPWCLMXXFO-QGZVFWFLSA-N 449.964 1.898 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300503811 FXUPBLBETKOAHC-HNNXBMFYSA-N 447.586 1.696 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1300631982 ZIGNEVDNERJJLT-LJQANCHMSA-N 447.561 1.287 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1300657771 PEEDNWXVAWACFN-QGZVFWFLSA-N 448.541 1.992 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOc2ccccc2)CC1 1300682696 JAEGLJOMJGTEEX-SFHVURJKSA-N 446.577 1.113 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)cc2)CC1 1300700999 ZPDFCYZAMWZSCJ-SFHVURJKSA-N 431.537 1.317 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300767156 SCDPLFLLWBERHA-OAHLLOKOSA-N 425.605 1.624 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301148472 OYXHMHPHNUKWAW-IVZQSRNASA-N 443.552 1.646 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301454410 VMGCHSJOLNRDSV-NSHDSACASA-N 426.399 1.697 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2ccnn2)CC1 1301618276 NOGPPQCCFMWBRB-UHFFFAOYSA-N 430.582 1.828 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1301951648 CRBFANLOHBBEAD-LSDHHAIUSA-N 448.549 1.694 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1nccs1 1303404190 PXKPMMFFOBSKOI-UHFFFAOYSA-N 437.533 1.514 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1C(F)(F)C12CCC2 1303836527 NDZLTIFWTJAJKH-YWPYICTPSA-N 432.472 1.766 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1303866745 KHRZEKDILVAIIQ-GWCFXTLKSA-N 448.427 1.169 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1316500910 PRUXDFPZHNKXTC-ZJEMCRNISA-N 430.509 1.312 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358922686 NOPQMALZHWCKHK-UHFFFAOYSA-N 432.506 1.785 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)(F)F 1358949088 SIVAWDKUULODNU-CQSZACIVSA-N 443.451 1.634 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358960646 IVJICBFEBBYHHQ-UTKZUKDTSA-N 429.546 1.436 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1358965684 ZFZNAKCZZAVDQT-KRWDZBQOSA-N 442.570 1.590 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(F)cn1 1359023206 CXODJDXTNADRFA-UHFFFAOYSA-N 447.474 1.860 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359131606 ZIQXZKIBLVFDTE-NRFANRHFSA-N 442.524 1.086 30 10 IDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)(F)F)C1CC1 1359248666 XKJHWLKKDNDJJE-UHFFFAOYSA-N 447.425 1.754 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359292708 WFQPVLAIJGZNCN-QRQCRPRQSA-N 442.495 1.718 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359298352 WQCMVKOUZJAXCH-UHFFFAOYSA-N 433.516 1.974 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCSC2)C1 1359313680 PUWBDASQGSMVBT-ARFHVFGLSA-N 429.612 1.813 30 10 IDEE C=CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1359344464 YKOYIDCIBBYBDP-SFHVURJKSA-N 431.562 1.748 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359650220 FFQVNGNTXIOWJN-JOCHJYFZSA-N 433.520 1.735 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1360618332 CBODAWSGUYRKCG-OAHLLOKOSA-N 444.561 1.732 30 10 IDEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 1454912128 WYOWGCHCRCRFAA-UHFFFAOYSA-N 425.942 1.194 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cc(F)c(Br)cc2F)C1=O 1461660232 VCFICLQXBJSCQU-QMMMGPOBSA-N 430.205 1.881 30 10 IDEE C#CC[C@H](COC)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1470097533 XDHOSNGJRWTZCX-CYBMUJFWSA-N 432.340 1.373 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC[C@H](C#N)C3)CC2)c1 1471765664 BLISBWUFARDFFD-LJQANCHMSA-N 446.573 1.679 30 10 IDEE N#Cc1cn(C2CN(C(=O)CN(C(=O)c3ccccc3)c3ccccc3)C2)c(=O)nc1O 1472370073 BVVZOFILIDVSDX-UHFFFAOYSA-N 429.436 1.551 30 10 IDEE CCc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)no1 1498363754 BFGVJNNWHHFEIX-MRXNPFEDSA-N 427.440 1.913 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1505144878 AWWGAPQHYVCEIU-IBGZPJMESA-N 432.575 1.699 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)COCCO1 1507707736 CHYKMCVLMDBMAB-QFIPXVFZSA-N 430.505 1.854 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CC)CCOCC2)CC1 1507719734 PYLNMJHKLHPJHF-HSZRJFAPSA-N 431.581 1.892 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507775108 RYHQWZBFKKFLTG-KGLIPLIRSA-N 437.342 1.385 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OCCOC)CCOCC2)CC1 1507873606 METJNIDSLXRWTC-UHFFFAOYSA-N 433.553 1.883 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1507916201 LVWUWQNGUKTBQM-FUHWJXTLSA-N 432.594 1.959 30 10 IDEE C=CCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1507953087 FFONXMLCXCDVLY-OAQYLSRUSA-N 432.525 1.417 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(O)cc2C1 1508097111 MQAAXSWWFGHLGD-JXFKEZNVSA-N 427.505 1.573 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1508199764 YGOQHQYCASONIE-QGZVFWFLSA-N 429.912 1.981 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1513977780 CUOWYYVIJBIHTQ-AVRDEDQJSA-N 440.504 1.249 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1=O 1519205600 DTULOADSTPHBBZ-UYAOXDASSA-N 438.532 1.663 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CCCC1 1519503657 DNSUPCXUKVXZEI-KRWDZBQOSA-N 442.545 1.486 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 1528251762 BHESQVJMTCLSLE-OCCSQVGLSA-N 447.307 1.026 30 10 IDEE CSC1([C@H](C#N)N(C)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 1533085527 KPUVUEWIKVMZKD-INIZCTEOSA-N 427.523 1.706 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539124575 GZGJXZUYMBSLNF-QZTJIDSGSA-N 435.594 1.283 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539743612 MHHUXNHWSZYRRO-UHFFFAOYSA-N 425.537 1.333 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1539758616 PQWCBTWEUMXDIB-UHFFFAOYSA-N 431.541 1.027 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1540041840 FMPQAVKQCKRHPP-UTKZUKDTSA-N 434.541 1.079 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN(C(=O)c4ccoc4)CC3)C2=O)cc1 1540673296 YBGVORVXVKOJDM-IBGZPJMESA-N 449.467 1.777 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1540857586 GSWPUUZIGYQMHS-GOSISDBHSA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CCC(N)=O)CC1 1540866117 CNLCRNYIQHPZCO-UHFFFAOYSA-N 426.521 1.738 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540869365 KMJRRVMLWZDAAV-APWZRJJASA-N 425.537 1.108 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](OC)C1 1540870069 DRVZBIALWJKNAK-QGZVFWFLSA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1540870133 FQUYQRRGSSECIB-VVBPWWLESA-N 446.552 1.578 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1540872751 ZNDOKSZAEZJAPX-OPAMFIHVSA-N 429.496 1.694 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCOCC2)cc1 1540876884 FGDZBYJWUIVNOW-INIZCTEOSA-N 435.550 1.728 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1540898747 SYOKDKNRNQKQJU-AWEZNQCLSA-N 435.554 1.331 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCOC2)C1 1541990939 QJJFOTFYSORRKO-PGRDOPGGSA-N 430.553 1.974 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1555385525 GAOFLDLEWVOHJT-XLIONFOSSA-N 426.521 1.389 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCn2ccnc2C1 1555558699 ARGCXHDAMAGEFH-LJQANCHMSA-N 437.552 1.965 30 10 IDEE C[C@H](CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1558603984 FIWRGLVLWUOSIF-BEFAXECRSA-N 438.509 1.975 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)C1 1560193654 IASPBBJSNUOQOE-ACZWYYKOSA-N 425.551 1.273 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)CC1 1564879376 ZDEJXRKBWKUXEH-NRFANRHFSA-N 449.621 1.283 30 10 IDEE C=CCC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1568993274 YOKVJJVTXCLPDQ-QGZVFWFLSA-N 432.498 1.951 30 10 IDEE C[C@H](CC(=O)NC[C@]1(C)COc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 1585592207 KBDJCWJSXJZCMJ-SPLOXXLWSA-N 429.498 1.850 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1586900040 ZSXFFFBOKQZHTR-BFUOFWGJSA-N 428.917 1.859 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1588065303 WLUFRKNRIQLEPD-INIZCTEOSA-N 449.964 1.985 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)F 1588205064 BMLCKVUQTHQIRS-UHFFFAOYSA-N 429.427 1.561 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC(C)(C)C)CC1 1588848471 GVOMXWMFBLORGZ-UHFFFAOYSA-N 448.575 1.577 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1588877321 ZNMOACRPKXIVNS-TUFLPTIASA-N 431.581 1.963 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1589484721 VVYDTGFKNUIZPJ-AQNXPRMDSA-N 446.596 1.556 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1593696666 UZFBKLOPSSOJMW-HTAPYJJXSA-N 442.520 1.902 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1595593466 DVTMDBJIPNGEBG-UHFFFAOYSA-N 434.570 1.247 30 10 IDEE CC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)n1nnc(-c2ccc(Cl)cc2)n1 1597371375 CZPZUYWONJOXLE-JOQOYGCGSA-N 434.909 1.341 30 10 IDEE CC(C)Cc1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1606608026 IXAHZRNMBQHYQA-QBEKEKFNSA-N 427.553 1.678 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)c1 1606631570 RXXMHSZJPFBJJC-UHFFFAOYSA-N 449.554 1.985 30 10 IDEE CN1C(=O)N[C@@](C)(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)C1=O 1611235374 DXDOMWZEPOHBDJ-CMJOXMDJSA-N 431.452 1.947 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1613588423 IKOWHRNCCUTSBY-RTBURBONSA-N 445.568 1.179 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(C(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)CC1 1614826908 AKJPXSXEGFUHNU-UHFFFAOYSA-N 449.511 1.254 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 1616566306 FQDAKJDFLXPUDP-OHTSDLOESA-N 428.449 1.512 30 10 IDEE CO[C@@H]1C[C@@H](C(=O)NCc2ccc(C(=O)NO)cc2)N(C(=O)OCc2ccccc2)C1 1618007304 GHBJIENBGAITNL-MOPGFXCFSA-N 427.457 1.848 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1618188385 NJNDPYFIGLWHRC-UHFFFAOYSA-N 435.546 1.531 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1620354912 MSMGDOIJBCCDFQ-CABCVRRESA-N 429.868 1.315 30 10 IDEE CCOCCOc1ccc(Br)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1623968687 VFULMVDFKSILKA-UHFFFAOYSA-N 437.250 1.637 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCc2ccccc2C)CC1 1643372599 SSGGWRARGALJAB-UHFFFAOYSA-N 427.526 1.799 30 10 IDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1648118281 CRIPFAYVBOEVSQ-MRXNPFEDSA-N 428.493 1.186 30 10 IDEE CCn1c(=O)c(C(=O)CN2CCc3c(C#N)cccc32)c(N)n(Cc2ccccc2)c1=O 1654793278 HLBALLFWQGNPPT-UHFFFAOYSA-N 429.480 1.777 30 10 IDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1677913668 FLZRHOSEUVFOSF-INIZCTEOSA-N 442.559 1.846 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1F 1683350024 JNNYYNHPYIUABG-UHFFFAOYSA-N 447.448 1.822 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1689849545 NEWUATWHMGNTED-BSRJHKFKSA-N 446.596 1.917 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689987838 DADAVAFBXPBULM-SFHVURJKSA-N 439.545 1.365 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[C@@H]1NC(=O)NC1=O 1690037001 IRKGCOUMUNXKDL-KRWDZBQOSA-N 435.444 1.304 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C1CC1 1690063515 GLWGMWBNRNXTIE-UHFFFAOYSA-N 444.561 1.181 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCC(C)CC2)CC1 1690113320 GOKRFCLWKPDTFP-DEOSSOPVSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCOC2)CC1 1690114616 ALFZPMBOBKGFJZ-SFHVURJKSA-N 443.573 1.530 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(OC)C2CC2)CC1 1690141782 CBQLGDBRJIZBGP-QFIPXVFZSA-N 425.537 1.460 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCO[C@@H]2CCOC2)CC1 1690142371 MMCPUVPQSVHCDE-LJQANCHMSA-N 438.532 1.502 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690167992 SJSLIMGRAXMRSK-UHFFFAOYSA-N 439.589 1.451 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690218405 FLASJQGZSOUNNC-LBPRGKRZSA-N 429.319 1.602 30 10 IDEE C=C(Cl)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690330199 CSDJEOMFPLCGTF-UONOGXRCSA-N 448.886 1.457 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1690398811 HGKBVPRFRVAQHW-WMZOPIPTSA-N 441.598 1.686 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690497916 YKHIVYLULVMEIC-UHFFFAOYSA-N 444.515 1.363 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Nc2cccnn2)CC1 1690670928 MCQHBRBZQBCEJA-INIZCTEOSA-N 426.525 1.345 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)cc1 1690680527 UQWGEDQDQCABDQ-QGZVFWFLSA-N 445.545 1.072 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C(N)=O)nc2)CCOC1 1692585478 LJJAQPKDTJMIDT-YCRPNKLZSA-N 427.509 1.599 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)CCOC1 1696085903 FWEQCIIRRKXCOS-YOCHRMAFSA-N 425.555 1.206 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696377679 PHJUDFWETUCXQU-ZJYNUGOYSA-N 425.493 1.662 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CC1 1696592468 AGJGJIUYLRNUJC-UHFFFAOYSA-N 439.564 1.580 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1696939702 ARZKWDANTTZEPB-GOSISDBHSA-N 447.499 1.802 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705531123 YTUVVIJXTOEXJC-SFHVURJKSA-N 440.533 1.348 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705567238 UYMZNEPQKVNKGA-RTBURBONSA-N 437.610 1.528 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1705569055 CRHZHYGEWYENNF-LJQANCHMSA-N 429.546 1.483 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1705580595 LKLXBIMWZRHYLO-VQTJNVASSA-N 426.565 1.439 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1 1705629030 VPKMDPUNFVXBPW-GOSISDBHSA-N 432.546 1.632 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1705630945 MAORUUHKBTXCAJ-SFHVURJKSA-N 448.593 1.709 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OC)c2OC)CC1 1705639164 HTEKPNZAVVIZEA-IBGZPJMESA-N 425.533 1.993 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1705898514 OKGJFLJADPMFFH-KRWDZBQOSA-N 442.520 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2CCCO2)CC1 1705928024 LCLDUTHWKWVMCU-QGZVFWFLSA-N 439.582 1.413 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CCO1 1712287303 FXGYHOLJXKRHER-SFHVURJKSA-N 426.521 1.973 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722299611 JEHWTUPGRWCKQR-KRWDZBQOSA-N 435.532 1.977 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722372351 UZSJHPGOYFVNRY-SFHVURJKSA-N 427.530 1.076 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCCNS(C)(=O)=O 1722419964 FBLJIIYAEZKEBA-GOSISDBHSA-N 449.552 1.890 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(O)(CC)CC)CC1 1722441423 QSOLESZMXVCCQG-UHFFFAOYSA-N 430.578 1.576 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722451068 FRAFWOHWAWGXDV-UHFFFAOYSA-N 431.566 1.825 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1722699150 RVWOIBDOUOTBLO-UHOSZYNNSA-N 443.573 1.865 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCC(F)F 1727659162 SXUZXDMKKGVLQY-INIZCTEOSA-N 434.447 1.725 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1729222975 VFGFVRJCWSXWLB-NRFANRHFSA-N 444.561 1.763 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1729396333 DBAUGBHBPVDSOK-QGZVFWFLSA-N 437.504 1.019 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1730474188 MQTSXKRZKCPLFQ-XMSQKQJNSA-N 440.504 1.107 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1730916178 ZIGKIGDPIXGPHJ-UHFFFAOYSA-N 438.532 1.976 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1731179468 CGBNLVNFVXCDFQ-RZQQEMMASA-N 442.486 1.970 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740697990 LJVHVGKZZAAZDY-LJQANCHMSA-N 442.589 1.181 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNS(C)(=O)=O 1740900424 YDKJQPBROATNKS-UHFFFAOYSA-N 434.570 1.014 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCCC1 1740900784 YJUFTTPMIFCASX-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1740990188 LGUBNLRPNUEOMO-TZMCWYRMSA-N 432.472 1.914 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1741003569 XMRJURZAOYIDBY-MRXNPFEDSA-N 441.579 1.760 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1741006375 HHCNMVGYVAVTKL-CVEARBPZSA-N 434.566 1.815 30 10 IDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)on1 1742897272 FFKIWLWZXYCGPO-UHFFFAOYSA-N 448.531 1.808 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1746698240 CAXNSKXGAGNIBQ-RBUKOAKNSA-N 443.545 1.585 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1747971668 NKARTAQRGNUWSN-FQEVSTJZSA-N 426.521 1.391 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1748092509 BHPVRGGHPDGLIT-NRFANRHFSA-N 425.468 1.943 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1748639015 AUSPAAOHMIXDEA-HOTGVXAUSA-N 441.561 1.795 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccn(C)n1 1748664948 LGDUYVMRQUAIBG-OAHLLOKOSA-N 426.550 1.672 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1748808570 LIWMZNRJMSKSQB-OALUTQOASA-N 427.530 1.868 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748890736 VITHOLQQQPCTRF-NRFANRHFSA-N 446.555 1.594 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)n1 1748934598 BFCWWGAUMRZQJM-UHFFFAOYSA-N 434.548 1.879 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1748989481 MJCJZJBHGOJQFT-LQWHRVPQSA-N 435.594 1.283 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@H]21 1749038268 PLGQRGJCMHWRAX-ZACQAIPSSA-N 439.607 1.356 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749119973 ZCJRIXRURGWPHV-BDXSIMOUSA-N 442.582 1.607 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1749292786 VUUJCIIDGPMREA-HSZRJFAPSA-N 446.596 1.639 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1749427352 PZZJOMFBKWJTPE-CVEARBPZSA-N 429.612 1.909 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)(F)F 1749489397 VISQUKBUIIDZNA-UHFFFAOYSA-N 438.458 1.753 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749703521 JTRLHVZNCMRUHZ-DYESRHJHSA-N 432.546 1.584 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2cccc(F)c2)CCO1 1750386456 GZVSXEAKVVXBJD-KRWDZBQOSA-N 437.435 1.872 30 10 IDEE CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1751281507 GMSDJYYNYIOCAJ-HSZRJFAPSA-N 437.548 1.629 30 10 IDEE Cc1c(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1751362189 ZRWPNNNOXHNNCC-GOSISDBHSA-N 449.519 1.863 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1760136919 DACFOULFLHKDED-ROUUACIJSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1760202798 NINNJLVOPJGTKB-KRWDZBQOSA-N 438.536 1.642 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1760272481 LWNVGVWMNGZAIM-UHFFFAOYSA-N 432.516 1.857 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1760504934 GMQMWBFBNQMCDS-VQIMIIECSA-N 434.562 1.921 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760515553 XSJLJJYBJCEUEM-MRXNPFEDSA-N 429.550 1.923 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H](O)C2)C1 1760535509 SBSWWGPKEYVXOC-LUKYLMHMSA-N 427.571 1.221 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1761371199 QWRRKEWRHJBNTN-PBHICJAKSA-N 439.520 1.344 30 10 IDEE CCCN1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1766145487 VMKHFOUMCOAPJX-QZQOTICOSA-N 443.552 1.452 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1766378331 HROKBWPYZALYLE-LJQANCHMSA-N 426.521 1.785 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1767540558 HJSOCMBAJXLCIL-WAIKUNEKSA-N 438.532 1.973 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1769380385 PKFIPPLXSOBKKX-UHFFFAOYSA-N 436.513 1.462 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1770137859 IAWIGMUWUVKLOW-KRWDZBQOSA-N 426.521 1.927 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1771363623 JAYFQXDFZZZBHK-AWEZNQCLSA-N 434.522 1.203 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N1CCOCC1 1772564656 QCCZOYQLITVOHG-VQTJNVASSA-N 445.589 1.876 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)CC2)cc1 1849895940 JVDZERPFZAOERP-GOSISDBHSA-N 439.541 1.565 30 10 IDEE N#CC1CCN(CCNC(=O)Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)CC1 1852835220 DUBPVOUIFGNSCF-UHFFFAOYSA-N 438.410 1.284 30 10 IDEE Cn1nc(-c2cnccn2)cc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1853304814 LBVXNDINLUPVTO-IBGZPJMESA-N 448.483 1.685 30 10 IDEE N#Cc1ccc(C(=O)CN2CC[C@@H](N3CCN(C(=O)[C@H]4CCCS4)C(=O)C3)C2)cc1 1856107783 HYXQXGLMDSNBTO-UYAOXDASSA-N 426.542 1.382 30 10 IDEE N#Cc1cc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC[C@H](CF)C4)ccc32)ccn1 1856355812 UNNIEKIFUIULHM-CYBMUJFWSA-N 428.445 1.663 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CC(C)C)C3(CCCCC3)C2=O)CC1=O 1856446239 HDYFQKPTVSQXBA-KRWDZBQOSA-N 439.578 1.380 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874430971 GTMNIVKCHSQMJQ-LSHDLFTRSA-N 440.485 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060637847 PMEOXTSVNXYIQK-UHFFFAOYSA-N 434.302 1.086 30 10 IDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243415179 PTBDVVDCNWMNHP-UHFFFAOYSA-N 448.372 1.782 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)s1 2248400905 CJNGDXBLOVMSDK-CQSZACIVSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2259925494 DVFZMIBQEBPSSD-ASSNKEHSSA-N 432.330 1.696 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2267097898 TZEGXNWPSOCFFF-LSDHHAIUSA-N 448.329 1.169 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2267128446 QWCUHDGYRVPIBA-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE C[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2267133495 CNMHCDDEZFFPPB-WZRBSPASSA-N 444.263 1.627 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@@H]21 2267182485 HAOIJDJSSYDDOZ-JKSUJKDBSA-N 446.357 1.943 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2267188035 GUWGSRUPIWFGRG-QKDCVEJESA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267269817 HLYSEVOEUJLJKA-OAQYLSRUSA-N 448.329 1.189 30 10 IDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)OC1(C)C 2267369902 DCLIGJNCDZQCPW-ZDUSSCGKSA-N 429.369 1.821 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2272649562 CNOKVFJXZGTPGW-ZSEKCTLFSA-N 447.345 1.101 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CO)C(F)(F)F)cc2Cl)OC1(C)C 2282304803 PNSYZZATDIUCKA-MRVPVSSYSA-N 435.682 1.902 30 10 IDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2287691959 DYUWONHNRZNFNG-XLIONFOSSA-N 440.518 1.187 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2312855122 ZLPLEUDTPDKSML-VHDGCEQUSA-N 432.330 1.837 30 10 IDEE COc1ccc(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2317461850 JXTWRBMRPBIYFG-OAHLLOKOSA-N 436.314 1.819 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322303974 RZWFJQHKFMZHCQ-KGLIPLIRSA-N 437.321 1.984 30 10 IDEE COc1cc(/C=N/Nc2nnc(SCC(=O)NC3CCCC3)n2N)cc(OC)c1OC 20919626 JPBSQXAEFSDDEJ-UFFVCSGVSA-N 449.537 1.615 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 45606622 QSNVTGFOAIFTFG-LJQANCHMSA-N 428.533 1.041 30 10 IDEE CC(C)N(C(C)C)P(OCCC#N)OC[C@H]1O[C@@H]2[C@@H](O)[C@@H]1Oc1nc(=O)ccn12 110341535 BHBLMAIJWYEONV-KUYNMCJASA-N 426.410 1.555 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 111223750 HTKPIJHYNVWSKD-FQEVSTJZSA-N 436.553 1.919 30 10 IDEE C[C@@H](C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)n1cnc(C#N)n1 409666172 NRPBRJPNEXBPSD-HNNXBMFYSA-N 435.488 1.782 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430987170 GIQARKIOAKIASL-UHFFFAOYSA-N 431.521 1.278 30 10 IDEE C[C@H]1[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC(=O)N1Cc1ccccc1 466840643 JEWISMWILHOFLW-AOIWGVFYSA-N 433.516 1.758 30 10 IDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCCOc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 476083318 HSQUIOCWXOQVLG-IYBDPMFKSA-N 426.477 1.591 30 10 IDEE CCOC(=O)c1c(NC(=O)NCCC2CCS(=O)(=O)CC2)c(C#N)cn1CCOC 481343678 JXIINJXLHRHKCC-UHFFFAOYSA-N 440.522 1.519 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)CC1 498513559 IYFZFTZVISYMAE-GMAHTHKFSA-N 441.576 1.602 30 10 IDEE Cc1ccc(S(N)(=O)=O)c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 502960194 GZIHJYNLYZLQLM-MRXNPFEDSA-N 430.511 1.668 30 10 IDEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503624722 DFCSUAKBFRZKHS-UHFFFAOYSA-N 446.463 1.689 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CSC[C@@H]3C(=O)N3CCCC3)C2=O)cc1 504947070 CBBRNBAKFPQHDK-IAGOWNOFSA-N 441.513 1.287 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@@H]2C)CC1 516388785 PIMVNKUTEDJDID-JKSUJKDBSA-N 444.532 1.358 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 518065981 RUEJFCJQVNVMFE-CQSZACIVSA-N 431.464 1.172 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1F 519667000 YXRVROXNTAYKOG-GFCCVEGCSA-N 434.424 1.153 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1-c1ccccc1C#N 520065594 LLKGHAVJFWRHJX-UHFFFAOYSA-N 438.871 1.812 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 542069670 IFMXCFKNXAFXMX-UKRRQHHQSA-N 447.904 1.371 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 555241850 WENBCZWEGCQJCM-AWEZNQCLSA-N 437.488 1.966 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CNc2ccc(-n3cnnn3)c(OC)c2)nc1C 586319105 VTSJZJDNOHJAMF-UHFFFAOYSA-N 429.462 1.829 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnn(-c4ncccn4)c3)CC2)cc1 609980537 BYIYDNQJIYPGPE-UHFFFAOYSA-N 437.485 1.573 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)nn1CCC#N 611644481 MKFSMGJHHOMPHX-KRWDZBQOSA-N 444.517 1.477 30 10 IDEE CSC[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 619104136 OLCPDVNADDWBGD-KZNAEPCWSA-N 441.557 1.509 30 10 IDEE CN(Cc1cccc(C#CCN)c1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703980549 XHMQZFRLQNJWMF-UHFFFAOYSA-N 425.510 1.445 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732649574 ZPNBMGMQAVFQOH-IBGZPJMESA-N 427.530 1.158 30 10 IDEE N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCN1C1CC1 732663631 AWMBIWNLYIRRSI-HNNXBMFYSA-N 441.351 1.316 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CCN1C1CC1 732673786 FNFMRIJSHCRIMZ-VQTJNVASSA-N 441.532 1.242 30 10 IDEE CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 732706032 BWIYKFTZCPNBDU-MRXNPFEDSA-N 431.924 1.863 30 10 IDEE N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 750425583 KFFFXUYKDAWQBV-UHFFFAOYSA-N 432.238 1.238 30 10 IDEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 765013125 NQRHWNUBUPECBJ-OAHLLOKOSA-N 434.543 1.855 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)CN1CCCCC1 771661574 TUARUPOBRSQWMC-KRWDZBQOSA-N 436.578 1.249 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 790487398 UGEFIKRSHDCNBZ-SZMVWBNQSA-N 445.495 1.985 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNC(=S)NC[C@@H]2CCCO2)C1 794470034 ANMQCDPDQQOKGK-GJZGRUSLSA-N 427.571 1.379 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1 808113189 AHMOSSVSMOLJHH-HNNXBMFYSA-N 445.497 1.975 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2c3c(nn2C)CCCC3)cn1 812221307 JGXQVPMWULJBPB-KRWDZBQOSA-N 429.550 1.783 30 10 IDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1cnc(C)c(C#N)c1 813705124 DGYSCAYVDLVEPG-MRXNPFEDSA-N 438.506 1.435 30 10 IDEE C#CCN(C)CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 818595939 UVVYCJKIVZZCKQ-QGZVFWFLSA-N 442.379 1.674 30 10 IDEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 1116750737 NWZUBVSVXGYMLV-FQEVSTJZSA-N 437.518 1.936 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1141370122 BFMHEALOUNKTAR-UHFFFAOYSA-N 443.353 1.504 30 10 IDEE N#CC1(C[C@H](O)CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCOCC1 1167252034 QQNXMIHTGCLPOY-YADHBBJMSA-N 427.593 1.987 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOc4ccccc4[C@@H]3CO)C2=O)cc1 1178769884 OYXJNGKVQMCAEK-OALUTQOASA-N 434.452 1.718 30 10 IDEE C#C[C@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)[C@@H]1CCCO1 1226724975 PWSWUEKWJPIHSK-PRLDPXHTSA-N 435.521 1.655 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCCCC(=O)C2=O)c1 1264676776 IDVUJIXCLVXBLO-NMWGTECJSA-N 448.545 1.800 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1 1286504887 RWCGDFIIHZEQMF-HOTGVXAUSA-N 427.530 1.872 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286605365 LRBPLIUBBBCMDQ-JOCHJYFZSA-N 439.520 1.747 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1286767908 KDCZCFKSUAJTSK-UHFFFAOYSA-N 434.504 1.613 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCOCCS(C)(=O)=O 1287221068 OJBNKGRUYLIRSV-UHFFFAOYSA-N 446.577 1.661 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccnc1 1288117785 WOPSKEOMXFBZDP-UHFFFAOYSA-N 432.488 1.589 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1291189457 BIQHUQAXXSJCNV-INCQDFKNSA-N 426.546 1.785 30 10 IDEE CCOC(=O)C(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1293881946 ZRFFCPLXOQTMHO-BXFSZVDSSA-N 448.520 1.007 30 10 IDEE COc1cc(C)c([S@](C)=O)cc1OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1299683589 KEQTVIIHEPKOFB-OIJAAMDRSA-N 436.511 1.885 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1300393488 FNSFMNBQNULJIY-KDURUIRLSA-N 449.563 1.880 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1300974116 DRALPNIPJUGYDA-MDZRGWNJSA-N 440.570 1.024 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301490141 LAXSOVGSOJYOFA-AWEZNQCLSA-N 446.939 1.966 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1301500393 LZVFXYJGJCDTGS-MSOLQXFVSA-N 432.569 1.463 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCCCC2)CC1 1301589116 NTXBXPKXKPRQHP-SFHVURJKSA-N 437.610 1.838 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)CC1 1303010645 ZHZZRPJWVQKKMV-FQEVSTJZSA-N 443.596 1.881 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@H](C)O1 1305153116 BFWNRDVRRFSXGR-HOTGVXAUSA-N 433.534 1.492 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1306193915 HVLMLQWAOPJBST-HXUWFJFHSA-N 438.580 1.791 30 10 IDEE C[S@@](=O)CCN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1309294615 GYZWDYUMUANQDV-HSZRJFAPSA-N 438.344 1.145 30 10 IDEE CCN(CC1CCC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1313769620 HYRWCZVLTMXYIM-MRCUWXFGSA-N 441.536 1.553 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1314805691 RYFYOAIVNWZGDX-JXPGLKHUSA-N 430.509 1.661 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1316242255 QKYNVAFRWVPZHW-UHFFFAOYSA-N 426.521 1.973 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CCC)CCC 1358890719 URVYPMZUPJCRAP-SJORKVTESA-N 441.598 1.400 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358924923 NNIYKIKYUAYPAR-SFHVURJKSA-N 425.489 1.471 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358932172 AZHWGNLNKOFJAH-GOSISDBHSA-N 441.561 1.448 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1358940917 RQDASASVUNRRQU-UHFFFAOYSA-N 442.339 1.045 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1358955135 FJEFYHWMLJMASI-QGZVFWFLSA-N 447.536 1.539 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1358961091 RJEDFRLYMCTTGE-LAUBAEHRSA-N 446.577 1.549 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359101656 QMQRRPRDJZIOAJ-JYLXEMOASA-N 441.532 1.605 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359228768 NSCYWLIIGAFMDX-JOCHJYFZSA-N 443.552 1.479 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359297483 SDEALKDHMKVZBU-KRWDZBQOSA-N 437.504 1.028 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CCOCC2)C1 1359314380 ZQDHCUAJZWILGO-IRXDYDNUSA-N 441.598 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359333064 NGVRLIICGIPCHC-UHFFFAOYSA-N 426.612 1.445 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@H]1COCCO1 1359717915 LSXFXOVJUIFVGL-IRXDYDNUSA-N 426.525 1.584 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cnn2ccccc12 1360693331 GWJKISNYTYKYKH-YWZLYKJASA-N 442.549 1.714 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2[C@@H]2CCCO2)n1Cc1ccc(C#N)o1 1360697664 CRESUTVDDSBESK-JQFCIGGWSA-N 434.522 1.549 30 10 IDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3c(C#N)nnn3Cc3ccccc3)C2=O)cc1 1437523014 PHILBKWGYOTRAU-HSZRJFAPSA-N 443.467 1.912 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1450156829 MDTQOZRGCUFGCU-BXUZGUMPSA-N 428.258 1.547 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@H]([S@@](C)=O)C1 1472625478 BWTQRIPSBBEAEX-IYXSGORBSA-N 425.576 1.700 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1503218524 MQNRIBKDXHVCHG-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1507531272 CFSNVHUYXKWPCF-DLBZAZTESA-N 443.577 1.345 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1507672010 SSODAVXKMCYCTP-GOSISDBHSA-N 431.518 1.024 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(=O)N(C)C2CCCCC2)CC1 1507724511 RENUKDZOFRELNS-UHFFFAOYSA-N 435.576 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC2(O)CCOCC2)CC1 1507736676 POXRLUIQKBRNDF-UHFFFAOYSA-N 426.521 1.171 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507754235 MFKFHKVSJIKQFY-MSOLQXFVSA-N 432.594 1.144 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1507809515 VTFZITDXLYSJFO-OKYOBFRVSA-N 433.553 1.685 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](C)O[C@H](COC)C1 1508094629 HVRSWZRQCYANIJ-HKUYNNGSSA-N 438.532 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508138091 VYJHMWCWAKQOSX-CQSZACIVSA-N 442.538 1.308 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1539003317 BSCKGHLQQBBINF-UEXGIBASSA-N 436.560 1.956 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1539011143 ABWQRWNGWQHBPU-YJBOKZPZSA-N 435.525 1.451 30 10 IDEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539060367 RSXXTKOIASHCQF-UHFFFAOYSA-N 433.520 1.392 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1539179905 TYNWLSXDSZRTBI-OAHLLOKOSA-N 433.500 1.524 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1539229487 DWUGDGKRMHSDLM-QZTJIDSGSA-N 448.618 1.520 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1539359579 KUIWXZFKHRVHMI-INIZCTEOSA-N 425.489 1.628 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1CCS(=O)(=O)CC1 1539399721 QZHANLBEPYENPW-UHFFFAOYSA-N 432.546 1.865 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)Cc2ccccc2)CC1 1539428619 UXPZZFAGWIDVKN-UHFFFAOYSA-N 437.592 1.694 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1539459334 DRVNLJJJRWRBCG-HKBQPEDESA-N 438.557 1.395 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCSC)CC1 1539476677 CVPGGDSSOJNBJV-QGZVFWFLSA-N 432.594 1.728 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1 1539646053 UJLFAMCZGXADIY-JOMPHRNESA-N 433.553 1.650 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)(=O)CC1 1539908861 CVAZHMZQOZRYJB-UHFFFAOYSA-N 442.549 1.758 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNc1nccc(C(F)(F)F)n1 1540071787 HZYGLFGTWSODJR-LBPRGKRZSA-N 445.471 1.723 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1540870979 AYZFYKUKGPZQFK-WBVHZDCISA-N 447.561 1.688 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1548265230 COKJTLQRCZQQPH-UHFFFAOYSA-N 439.520 1.026 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)cn1 1554329199 BOAXPWWJWKGVST-IBGZPJMESA-N 429.481 1.572 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1555719671 INZGHRKAGGQRFC-HXUWFJFHSA-N 440.548 1.638 30 10 IDEE N#CC1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555991969 BTEHUYCHXLHOCP-MRCUWXFGSA-N 432.488 1.530 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)COCCO2 1558099335 SDALKAVYJRRTAY-QGZVFWFLSA-N 435.546 1.692 30 10 IDEE CN1C(=O)C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 1558806120 FCOQCJULUFWHQF-GUYCJALGSA-N 445.838 1.216 30 10 IDEE C#CCN(CC(=O)NCc1cccc(OCCN2CCOCC2)c1)C(=O)OC(C)(C)C 1583508558 AQTUVHZBNSONEK-UHFFFAOYSA-N 431.533 1.884 30 10 IDEE Cc1nsc(N(C)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C#N 1584665413 NVBPHFLFIGGBTJ-UHFFFAOYSA-N 426.545 1.611 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CC=CCC1 1588006988 WZCNTNPDOGFNIA-UHFFFAOYSA-N 433.604 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nncn2CC)CC1 1588929850 HVIAGCDESDQBNC-QGZVFWFLSA-N 426.525 1.145 30 10 IDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCOC2)CC1 1594097279 PSGRRUHTVWSUQW-VGOFRKELSA-N 449.552 1.894 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(OC)C1 1595506600 GNYPKHCZMNFCEI-NRFANRHFSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595602085 DYJPALXAWJUKSG-WFXMFSGNSA-N 430.553 1.214 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1610904242 SFOOMQPNUANCGK-WIYYLYMNSA-N 429.525 1.414 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(Br)cc4c3OCCO4)C[C@H]1CS(=O)(=O)C2 1611165690 SIONNFAIWHWQCD-QFYYESIMSA-N 427.276 1.231 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CC1 1615938370 FAGHVWVYJPZUQT-UHFFFAOYSA-N 444.543 1.713 30 10 IDEE CN(CC1CC(F)C1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1618053251 YMNLHPDWTCNTJC-FMQUCBEESA-N 445.499 1.111 30 10 IDEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1619479617 BHQWVPDASJQPSM-RMYJWEKJSA-N 428.534 1.535 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1619834396 IIOJZQOUTNKPGL-OAQYLSRUSA-N 439.564 1.890 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N(C)C 1620017825 VOOPVQNOYGQIIM-QZTJIDSGSA-N 442.568 1.545 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COc2ccccc2O1 1620024735 KLEFOYRNOOPRMH-IKGGRYGDSA-N 429.477 1.571 30 10 IDEE CCNC(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1625242143 KDKVAVJARJBNIY-JQHMZKTJSA-N 433.553 1.054 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2cc(C#N)ccc2F)C1 1629979566 SSXWMSVYFPIEKV-OAHLLOKOSA-N 425.482 1.738 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1631607251 FCAHEKUOIZZLNZ-BPUTZDHNSA-N 434.518 1.445 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)C1 1632425784 SRQSPJXEGPHFHF-LJQANCHMSA-N 447.289 1.677 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1c1cnn(C)c1 1634749202 ACEWFNZAZGLJCY-MAUKXSAKSA-N 429.521 1.681 30 10 IDEE CN1CCC(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)(N2CCOCC2)CC1 1636146573 FVBNHJOJCWQKGR-JOCHJYFZSA-N 440.592 1.203 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1637180610 KWVKHQIEXXQCQC-KRWDZBQOSA-N 444.536 1.036 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCN2CC(F)(F)F)s1 1645008897 FBBORVOIADVYOS-LBPRGKRZSA-N 425.498 1.898 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 1651801981 PAFCRNQMFXEUKM-CQSZACIVSA-N 440.363 1.717 30 10 IDEE COCCN(CCC(=O)OC(C)(C)C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1653456051 AHMQSRJKMBMKHR-UHFFFAOYSA-N 439.534 1.617 30 10 IDEE CCCCCn1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc2c1=O 1653759820 JTRPCPYWXKQYQK-UHFFFAOYSA-N 434.456 1.418 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1663425688 YXOOFNYCWHBSNI-HXUWFJFHSA-N 444.557 1.921 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)C2)nc1 1683550450 XUJZQVMEKXSRLR-LJQANCHMSA-N 447.499 1.791 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1689946933 ZZSBALJTLOQTRC-MRXNPFEDSA-N 430.578 1.057 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCC)nc1C 1689966026 IUKFLXZMOPIYRU-GOSISDBHSA-N 449.581 1.034 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1689992565 LUYSYYWICQICBO-LJQANCHMSA-N 449.621 1.896 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCCC1 1690077254 LMKAIAQZQYCIBY-UHFFFAOYSA-N 436.564 1.957 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCOC(C)C)CC1 1690122321 NNICGXJFHGFQCU-UHFFFAOYSA-N 449.559 1.762 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(C)COCCO2)CC1 1690139290 GODPRVTWHIYTAN-QFIPXVFZSA-N 427.505 1.618 30 10 IDEE C=CCn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@]1(OCC)CCOC1 1690653645 ZSSFBITYXJTTKJ-IERDGZPVSA-N 431.541 1.945 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690676387 YPJJPCKMOOZUCM-AWEZNQCLSA-N 432.912 1.480 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690722964 CLFTXSGCGVZLHA-UHFFFAOYSA-N 432.550 1.193 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1696051514 DWKMJGJPEDBGFB-NHCUHLMSSA-N 436.532 1.483 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1=O 1698253939 GJPRXNIHQDYFFJ-LNLFQRSKSA-N 432.525 1.133 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1705474917 HLDBWXJAHILZKM-INIZCTEOSA-N 426.496 1.470 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1705541860 TWMANCLXORUONL-SJORKVTESA-N 430.578 1.405 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1705559023 OOJPZLUUBFBBSY-NUEKZKHPSA-N 425.530 1.354 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1705559498 BLVCVGPENWOOKW-LJQANCHMSA-N 443.573 1.767 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(C)cc1 1705573884 PUEUWTYEYNRNKQ-MSOLQXFVSA-N 429.546 1.737 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCS(C)(=O)=O 1705577459 GYIAASNQDMGSRK-UHFFFAOYSA-N 427.349 1.887 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1705583288 USRWBDZSZUCXRS-HXUWFJFHSA-N 441.557 1.349 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1705590769 VXKQGKSHAHUGMN-JOCHJYFZSA-N 427.505 1.964 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)N(C)CC)CC1 1705632465 QYRZXQCODSQXKZ-UHFFFAOYSA-N 437.548 1.381 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705660161 OHZVGXMYXIKBSN-HNNXBMFYSA-N 447.634 1.599 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705832387 WISFRICCPZFZIA-SFHVURJKSA-N 430.553 1.584 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1705843643 KMLZMPJGZZMSET-UKRRQHHQSA-N 440.595 1.802 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 1705903323 SJEZBHCWQJQJNQ-WBVHZDCISA-N 428.516 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](Oc2ccccn2)C1 1705932178 OCXMBILBJGMSOD-KRWDZBQOSA-N 440.529 1.994 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(C)=O)CC1 1705935753 CMGSLJFQENGYCV-KRWDZBQOSA-N 425.555 1.225 30 10 IDEE C=CCSCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705950204 UPHBNGVRRYCNQW-SFTDATJTSA-N 435.594 1.954 30 10 IDEE CCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710831845 GLNNUHBJXRTLSI-UHFFFAOYSA-N 435.536 1.541 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1712521624 KTNYUIVCAKPQRG-NVXWUHKLSA-N 440.570 1.024 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc2c(c1)C(=O)NCC2 1722425889 PFDSRNGUACNYBD-UHFFFAOYSA-N 430.512 1.684 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCN(C)CCOC)CC1 1722436163 YKEBUBDDTXHIPV-UHFFFAOYSA-N 433.560 1.827 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N[C@@H](C)CC)CC1 1722446527 ZOTAOZSAPQFZPD-KRWDZBQOSA-N 437.548 1.611 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722495781 YZGKXIBQLSIQRO-HOIFWPIMSA-N 430.553 1.458 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1722532367 KBICMPLKVOMJRW-HNNXBMFYSA-N 437.504 1.854 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722740245 MLACROANBOABOR-MRXNPFEDSA-N 433.582 1.486 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1722862522 CHIGYOVGENMRPS-CYBMUJFWSA-N 438.941 1.502 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1Cc1ccc(C#N)o1 1723962399 YBQCDUQIIWLNAP-DYVFJYSZSA-N 446.489 1.572 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOCC1 1740552543 OJFLILSNZMNDEG-LJQANCHMSA-N 438.580 1.632 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740566686 JEMNQGAVGLUMQH-KKSFZXQISA-N 449.552 1.929 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1740621333 LUIXCBZHGPGKIC-UHOSZYNNSA-N 446.577 1.366 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1740689367 CGDSQTDEHGVCPW-SFHVURJKSA-N 437.596 1.832 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740712574 MKIBWAPUEDNSOF-HNNXBMFYSA-N 428.518 1.686 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1740715575 CCCWZXWQPGICQY-OAHLLOKOSA-N 429.550 1.845 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740750359 PKNXNUIXVFEFMF-CYBMUJFWSA-N 434.360 1.510 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1740757488 PJJRFERCKUIUQM-XLIONFOSSA-N 426.521 1.616 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1740792303 HHAXHWYIAMLVEQ-UHFFFAOYSA-N 444.536 1.903 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740801514 BGKZEWPPMSPTON-OCCSQVGLSA-N 427.962 1.888 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740966773 WQJKCRUFCGMPQT-ZWKOTPCHSA-N 429.525 1.151 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCCO3)n2CCOCCS(C)(=O)=O)CC1 1741988450 QHQMLXHWJKOSBN-INIZCTEOSA-N 425.555 1.711 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccco2)CC1 1749014789 OHCOTIDGUUKNNE-UHFFFAOYSA-N 440.548 1.856 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC 1749659417 BQHMSTLDAUYSMF-INIZCTEOSA-N 442.520 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)CC1 1749740542 GFAUVVXQFVPTQV-GOSISDBHSA-N 439.582 1.031 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1Cc1cccnc1N1CCOCC1 1749828707 HPWGOEDUUYFWDT-UHFFFAOYSA-N 436.520 1.920 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1C 1749873360 FSVCOLCJPKFRSG-HTAPYJJXSA-N 442.589 1.842 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750449556 RWGGQCZQHACPEM-OZNQOIHVSA-N 438.536 1.279 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1751164320 LNKJEQURFWZKMS-VQIMIIECSA-N 441.492 1.550 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1752429397 HFZRMSZUYIEKTF-LIRRHRJNSA-N 433.559 1.308 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCN(CC)CC1 1760238084 HXFSQFGBCCTSRB-IBGZPJMESA-N 426.613 1.873 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1760245966 PHPFGAUQSFSJCF-IBGZPJMESA-N 427.530 1.870 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2C[C@H]2C)CC1 1760260828 CFMHUQXNPZZSCM-QRVBRYPASA-N 444.580 1.998 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760261816 CTJPFYSSMMVOBU-JPYJTQIMSA-N 425.533 1.173 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760445436 JTVYNERWLLNBCW-RBUKOAKNSA-N 432.569 1.264 30 10 IDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1760452344 LRMVJCYMVAHXIX-UHFFFAOYSA-N 439.520 1.783 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1760528635 IQHZUTZDBZCUBP-QWFCFKBJSA-N 448.612 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760553167 NKYOGXKIWCPNCB-HDICACEKSA-N 436.534 1.405 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC2(CCOCC2)C1 1760557124 ASBICFOXOHTRFR-UHFFFAOYSA-N 437.566 1.008 30 10 IDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)OC 1764281491 DVYMTVVBJZAWMS-SJORKVTESA-N 426.477 1.795 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1765033633 FUJPMQAIFXAMHA-OLMNPRSZSA-N 448.549 1.749 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1768444572 CHIPORXLAOPLHI-UHFFFAOYSA-N 447.499 1.850 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c1 1769177227 HJGMOVZMMGTFJJ-FDDCHVKYSA-N 435.532 1.962 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1771004744 ADRDSTCBQPDTJW-IIBYNOLFSA-N 445.545 1.229 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCN(C)C1 1771110652 ONSWRXWVENTCFE-FQEVSTJZSA-N 429.481 1.286 30 10 IDEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772791230 PUFBXJQHZTVSJN-CZUORRHYSA-N 431.489 1.967 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)NCC#CCN1CCCCCC1 1850300223 DHRZRYIDZRTERA-UHFFFAOYSA-N 435.546 1.122 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c2ccccc21 1851504085 PZKGUDRQGGNVQH-HXUWFJFHSA-N 426.517 1.924 30 10 IDEE Cc1nc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c(C#N)c(C)c1Br 1853004870 MOWMUMULVVLGRZ-UHFFFAOYSA-N 427.324 1.583 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(OC(F)F)cc3)C2)CC1=O 1856808654 IAFDLEHPYZUNTE-TZMCWYRMSA-N 446.428 1.170 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 1857128981 DXOCRCVLFKHVBP-AWEZNQCLSA-N 425.466 1.555 30 10 IDEE C[C@@H]1CC(=O)N(C(=O)CN2CCC(F)(F)CC2)c2ccccc2N1S(=O)(=O)CC#N 1857459589 RYIYMEQYVYBBDB-CQSZACIVSA-N 440.472 1.729 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N(CCO)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 1857960098 DXEGUVWFFLGAGT-SFHVURJKSA-N 431.445 1.727 30 10 IDEE CCCCS(=O)(=O)Nc1c(C#N)nnn1-c1ccc(C(=O)NCCN(CC)CC)cc1 1870099009 JTXRRCPHYREGPW-UHFFFAOYSA-N 447.565 1.752 30 10 IDEE C#CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871006905 AXKKQGPLHBTHLD-UHFFFAOYSA-N 427.486 1.086 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124520544 WINPXCRIBAWGOW-UHFFFAOYSA-N 448.329 1.380 30 10 IDEE C=CCN(CC=C)C(=O)CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195348454 MRXWJYMNIDDLNJ-QGZVFWFLSA-N 438.502 1.372 30 10 IDEE Cc1sc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(C#CCN)c1C 2237674695 GNKCYCDSCNJJIQ-UHFFFAOYSA-N 445.566 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248404041 ICYNRQLJNKIYPL-GFCCVEGCSA-N 438.359 1.845 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255665309 DSMMLZLAOMLYGM-HUUCEWRRSA-N 436.314 1.991 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255704985 OMUPHHPVCGGDOP-UKRRQHHQSA-N 436.314 1.848 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@H]1OCc1ccccc1 2255747161 GFVAMPKDUIDPSE-JKSUJKDBSA-N 448.354 1.140 30 10 IDEE CCn1cc(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255815780 SVOPINGTGNJOGR-UHFFFAOYSA-N 434.346 1.894 30 10 IDEE Cn1cc(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)c(B2OC(C)(C)C(C)(C)O2)n1 2267126357 LJUDSCWUEGLLMD-UHFFFAOYSA-N 447.305 1.114 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267161589 DKSNIFKDACRYDJ-HOTGVXAUSA-N 444.341 2.000 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267266960 SXDNKTBYZGQNCH-KBPBESRZSA-N 449.361 1.490 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267498722 LUDJNICJAPHJKD-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(F)cc1C#N)NC(=O)OCc1ccccc1 2286039090 MEKVOIRTZAKTKR-QGZVFWFLSA-N 435.433 1.907 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@@H]3CSC[C@@H]3O)C(=O)[C@@]12C 2297591711 ZLCUAISAQVPXBL-IWGBLYGRSA-N 445.493 1.635 30 10 IDEE COc1nc(O[C@H](CNC(=O)OC(C)(C)C)C(N)=O)ccc1B1OC(C)(C)C(C)(C)O1 2317555745 LTPCYVWITHHTOU-CYBMUJFWSA-N 437.302 1.147 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)n1C 2337190412 NNRZQYLEKMVHEB-UHFFFAOYSA-N 446.357 1.721 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)n1C 2337324192 RFZVUXDFKRZFRR-HUUCEWRRSA-N 446.357 1.862 30 10 IDEE Cc1cccn2c(=O)c(C=NNc3ncnc(N)c3[N+](=O)[O-])c(NCc3ccco3)nc12 254765100 VZPFNJIIDZJUPH-UHFFFAOYSA-N 435.404 1.934 30 10 IDEE CCc1nc(C(C)(C)NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)no1 441268028 QLVQYPFSVPVXIK-UHFFFAOYSA-N 439.476 1.925 30 10 IDEE CS(=O)(=O)c1ccc(OCCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 462085632 UAGSOGIHKYECER-UHFFFAOYSA-N 426.458 1.743 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2C)CC1 478152755 RKVHJVHBVYFEOV-UHFFFAOYSA-N 434.331 1.505 30 10 IDEE COc1ccc(C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 481777962 KBOVFDURGMTMLG-CABCVRRESA-N 431.514 1.990 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 481843492 BZYNVKPXRJEBBA-UHFFFAOYSA-N 430.424 1.865 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 508850906 WVGGWTVEQVLBDX-CYBMUJFWSA-N 436.538 1.375 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 509178545 KZFFUZBVZPDGEV-ZDUSSCGKSA-N 425.454 1.622 30 10 IDEE C=CCN1CC[C@H](N(C)c2nc(N(C)[C@@H]3CCN(CC=C)C3=O)sc2[N+](=O)[O-])C1=O 513066290 XYLNMBLAARFLGD-UONOGXRCSA-N 434.522 1.498 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccccc1 531370684 YIEJFIKUKHGTEH-UHFFFAOYSA-N 432.530 1.697 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)n(-c2cccc(F)c2)c1C 533434253 DAKPAZRBZDUGGX-MRXNPFEDSA-N 433.509 1.667 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 545463042 KMFSBRREZGMNES-OAHLLOKOSA-N 440.485 1.876 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)C)CC1 549836726 QGJVWFBYFFXRQK-UHFFFAOYSA-N 426.521 1.754 30 10 IDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 608894931 UZRMFOMXSRKBKK-UHFFFAOYSA-N 426.395 1.955 30 10 IDEE Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610011272 RCIYMRBPKHNFKF-CQSZACIVSA-N 431.518 1.810 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccccc2)c1=O 611078489 SOIUKAVKPJCTSV-UHFFFAOYSA-N 433.537 1.300 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 670195532 AAVKFBFKJGTHMC-ZWKOTPCHSA-N 438.598 1.252 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccoc3)c2=O)c1 727417912 SLSSFQHOENNCBK-UHFFFAOYSA-N 433.489 1.129 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 729335162 IYDYPAIKCIIBGN-MOPGFXCFSA-N 432.542 1.343 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(C[C@H]2CCCO2)C1=O 735226431 YTVSBVWODNZLJV-QAPCUYQASA-N 448.545 1.594 30 10 IDEE C#CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 742213980 SDCUCDJPYRNPRL-GOSISDBHSA-N 430.530 1.828 30 10 IDEE C[C@H](CC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742487590 ILLNEEPPMSAULB-HUUCEWRRSA-N 438.513 1.962 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 742893528 WACAXRMYAXYGLR-HDEZJCGLSA-N 432.546 1.265 30 10 IDEE COC(=O)C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)c1cccc(Br)c1 746378472 TUEMVJFKXURUAN-CQSZACIVSA-N 434.250 1.528 30 10 IDEE COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 746873254 UGXOHZULGWPJRH-UHFFFAOYSA-N 443.525 1.837 30 10 IDEE N#CC1(NC(=O)COC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CCCCC1 749290515 DUTDGNLBVMAXEX-CQSZACIVSA-N 425.532 1.787 30 10 IDEE COc1ccc(NC(=O)COC(=O)Cc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 750430722 OAHKAAUUEYZOLT-UHFFFAOYSA-N 431.470 1.542 30 10 IDEE C#CCN(C(=O)c1ccc(I)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 751274238 QXYZFJSRZXBUKO-LLVKDONJSA-N 448.238 1.462 30 10 IDEE CCc1c(C(=O)NC2CCN(c3ccccc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 754057656 DFSOFVSLCGMAHW-UHFFFAOYSA-N 446.511 1.465 30 10 IDEE O=C(NCC#CC(=O)N1CCOC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 757472283 WFJWZXLGPFXXEV-OAQYLSRUSA-N 434.448 1.841 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758060274 WSNXXJVISFFFQH-UHFFFAOYSA-N 443.532 1.776 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccn(C)n2)c1 765888606 NSVYRKPYASWMCO-MOHJPFBDSA-N 446.533 1.268 30 10 IDEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 769541918 GSJOXRAHHSYERF-UHFFFAOYSA-N 443.454 1.861 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 775778100 VLVUIHRHXLVMCT-INIZCTEOSA-N 427.465 1.896 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC 786839884 ACBFODZFJNMCNB-DZGCQCFKSA-N 435.951 1.565 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)/C=C\c3cc4cnn(C(C)C)c4[nH]c3=O)CC2)c1C#N 788535369 BPUBMZFODGJUCD-WAYWQWQTSA-N 434.504 1.581 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc3c(C(=O)OC)nccc23)n1 788695089 DASBEZAWRWXNEK-UHFFFAOYSA-N 442.497 1.688 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CCOCC2=O)n(Cc2ccc(F)cc2)c1C 790729857 QVOAEIUHCXQXLJ-UHFFFAOYSA-N 442.447 1.505 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)c1 803922828 VOTNLWOGPDFJHA-UHFFFAOYSA-N 443.456 1.509 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cc1 808114616 VIPHUNXCKXVEOF-OAHLLOKOSA-N 445.497 1.861 30 10 IDEE Cn1cc(/C=C\C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c(=O)n(C)c1=O 809741582 ZHOPILJNKJMUDH-FPLPWBNLSA-N 440.510 1.751 30 10 IDEE O=C1[C@@H](NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)CCN1O 820175406 XXHSJSNKUBFUGB-SBUREZEXSA-N 434.452 1.272 30 10 IDEE COC(=O)c1coc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1136149456 KZBWZQYUAYSVFI-QPJJXVBHSA-N 429.454 1.484 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)COc1ccc(C#N)c(Br)c1 1147832386 VPZXTSMMPQWYOX-IBGZPJMESA-N 438.322 1.432 30 10 IDEE O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)N[C@@H]1CCN(O)C1=O 1159325438 WDUZMMYPJWWHKO-HUUCEWRRSA-N 435.481 1.462 30 10 IDEE C=C[C@H](CO)NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1167654469 FQZNYPPXCRTAOH-XNJGSVPQSA-N 445.969 1.398 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CC1 1200485352 CHIPYFNOMLIVTJ-NDEPHWFRSA-N 440.591 1.351 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1255256249 QDHDSUHZTXLXQN-FQEVSTJZSA-N 430.530 1.825 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1286313727 FGNXWDDOYFXYEM-HOCLYGCPSA-N 435.554 1.767 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1286341370 DMPPGAZUYBTHOA-KRWDZBQOSA-N 444.561 1.463 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCN(CC)CC1 1286377552 ZLCPCDIMYRLKEP-HXUWFJFHSA-N 434.592 1.860 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1286485120 VELUERYIEUSTOE-UHFFFAOYSA-N 435.532 1.256 30 10 IDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286707226 CFTLUWOCSPALCS-MRXNPFEDSA-N 440.508 1.971 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C 1286738764 COYFFEUBCFJXHU-UHFFFAOYSA-N 426.521 1.804 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1286742615 RABPCPMHQXIICG-LJQANCHMSA-N 433.516 1.820 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286784107 WPAUDSQTZGXHDY-QGZVFWFLSA-N 445.955 1.597 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)c1nccs1 1286819525 NDMKFDIEZZJMJO-ZIAGYGMSSA-N 438.579 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286819551 NVQHMZFSZHRHIT-UHFFFAOYSA-N 436.607 1.843 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)OC1CCCC1 1286820742 QKXISRWJWQGOAJ-CQSZACIVSA-N 432.568 1.091 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C2CC2)O1 1291224289 VLNOKFKMLMMBFN-KXBFYZLASA-N 444.561 1.760 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(N(C)C)CCSC1 1293111421 TYTFKIHZCVAUJK-OAQYLSRUSA-N 426.594 1.871 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCS1(=O)=O 1300287113 UJTSKJKCUXMBDO-MAUKXSAKSA-N 440.533 1.346 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)C1 1301555021 RCESFDNYRNAOAF-ROUUACIJSA-N 430.553 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H](OC)C1 1301568145 PCVQWGDPOGYZQL-JKSUJKDBSA-N 448.549 1.387 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1301816603 UXVDLDJNCWSENJ-HTAPYJJXSA-N 442.520 1.937 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1302095936 GHOKVEKIANSELW-OAGGEKHMSA-N 446.474 1.615 30 10 IDEE C[C@H]1C[C@@H](C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1304922835 BXQQGPOPMXTNNM-IWAYJWFOSA-N 441.536 1.409 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1307950055 RKUAMBJSZVESDD-BGYRXZFFSA-N 431.558 1.905 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H]1C 1313941750 FPJFILHHRCBDQA-INIZCTEOSA-N 432.550 1.304 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1316297710 MJWULTUVFOPAFZ-PFRQMTDMSA-N 436.582 1.168 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCO[C@@H]2CCOC2)CCO1 1316539893 HANOPRQZBPGEDQ-SJORKVTESA-N 431.468 1.921 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1337651507 ZYXNVRMOUJLULT-SFHVURJKSA-N 441.532 1.599 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCN(CC)CC1 1358887605 ZTYJVPOFSJRULL-IAGOWNOFSA-N 427.553 1.490 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1358910612 WAAIIBUBGFMRNP-UHFFFAOYSA-N 447.543 1.958 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358940112 NZOIFBIWXPSUGL-OAQYLSRUSA-N 432.546 1.593 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1358998944 YAAUVOMVMNFPPX-UYAOXDASSA-N 427.549 1.518 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc2c1OCO2 1359018888 FQZKTUWFHHXUAU-JOCHJYFZSA-N 428.489 1.793 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@H]2COCCO2)n1 1359027370 GZSTXOBJRYTETA-IBGZPJMESA-N 440.504 1.745 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(OC)OC)c2)CC1 1359028103 HJOCSIVVQFBXGR-UHFFFAOYSA-N 440.548 1.511 30 10 IDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1359123083 MQDAPUDLPGHNBB-UHFFFAOYSA-N 448.593 1.717 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359227182 VNPSBRILGIHHSA-MRXNPFEDSA-N 434.541 1.879 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359292707 WFQPVLAIJGZNCN-OYHNWAKOSA-N 442.495 1.718 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1CC 1359294251 OYBCNQNDSZOBIK-QGZVFWFLSA-N 446.577 1.876 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359300396 AVMXDOLWKMZNIF-MRXNPFEDSA-N 444.584 1.998 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359303401 MVVIBXUCTZFCKM-KRWDZBQOSA-N 426.521 1.642 30 10 IDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359603256 LBCKYSNVODXSCO-JOCHJYFZSA-N 437.504 1.402 30 10 IDEE C#CCN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1435068158 FCJBUZUZOKXSRP-SXLOBPIMSA-N 434.558 1.178 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 1447862828 BOSNILDGWIAOLH-QFIPXVFZSA-N 440.525 1.881 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3ccc(Br)cc3=O)C2=O)cc1 1448841655 HYGPASXRVGIMCA-INIZCTEOSA-N 429.274 1.400 30 10 IDEE Cn1cc(CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)c(O)nc1=O 1455082608 DTQUOIITGZTKIM-QGZVFWFLSA-N 439.472 1.508 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)c2)c1 1463900333 WJOSKTFSXRXUMW-UHFFFAOYSA-N 428.404 1.646 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1cc[nH]n1 1470088779 VGNFVFPPFZAAOR-UHFFFAOYSA-N 425.486 1.455 30 10 IDEE CN1C(=O)[C@@H]2CN(C(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)C[C@@H]2C1=O 1471201397 MKKXPPBERFKRAW-HDICACEKSA-N 448.504 1.976 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1471311034 LIFUOJFDABGAHL-LJQANCHMSA-N 443.529 1.708 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 1471451495 UPBIPADBRZJZJD-UHFFFAOYSA-N 436.515 1.127 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1507517446 HPQMIXCYLMBEDL-AOMKIAJQSA-N 429.496 1.957 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(CC)c2)c1 1507551343 WRHYCQZYQXNYCT-LJQANCHMSA-N 446.515 1.550 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1conc1COC 1507617709 YSVVQAUMOTWWSK-QGZVFWFLSA-N 446.508 1.839 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507690811 XMMJORFIUTYUFW-QGZVFWFLSA-N 425.518 1.473 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NCC)CC1 1507791565 NFDLPUSSYTXOBB-IAGOWNOFSA-N 433.557 1.249 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1507792056 WDKRLDZAYKXBFJ-MJGOQNOKSA-N 432.569 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1508148000 DZHALAFNLFFDRI-BXWFABGCSA-N 444.623 1.861 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1508758053 FQALXEBEDLJNHU-HXUWFJFHSA-N 438.532 1.927 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1509953142 KQOCNUKPQZRFOS-IXDOHACOSA-N 425.555 1.504 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1515440525 BUHXOFFLAVSPCD-OAHLLOKOSA-N 446.504 1.990 30 10 IDEE CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCOCC1 1526573481 HTOCMOPOIQVQKF-LPHOPBHVSA-N 446.935 1.954 30 10 IDEE C#CCCCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1539142511 RIBGOAMEOMUKQV-SFHVURJKSA-N 447.565 1.765 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCS(=O)(=O)CC1 1539168407 WFWYSXPQWNJHHL-UHFFFAOYSA-N 440.529 1.140 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1539172110 SYGWFWTVIRJZIA-KRWDZBQOSA-N 433.516 1.659 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1539230850 MAMXQTCJRJXPMW-NSHDSACASA-N 441.298 1.429 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1539265491 GYXQWRYLFZBNQJ-UXHICEINSA-N 425.558 1.556 30 10 IDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539272688 AGENPUSUZJSOGH-OAQYLSRUSA-N 439.585 1.808 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539340391 LRPQZJMTJRLYMN-ROUUACIJSA-N 448.593 1.178 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccncc2Cl)CC1 1539462583 IUGOGXXXHQMRKR-HKUYNNGSSA-N 430.940 1.854 30 10 IDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539750198 IJCCBKQXLTUWKW-UHFFFAOYSA-N 446.596 1.730 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)c1ccccc1 1539764893 BDIQBZSMQVKAPF-BHYGNILZSA-N 447.517 1.716 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCOCC2)CC1 1539890021 GXHHXBKSASABJW-SFHVURJKSA-N 437.610 1.693 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 1540238950 WAYIHNJIZIZMKR-HXUWFJFHSA-N 430.486 1.482 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540872983 IKVZJXDZSOZJGZ-OAHLLOKOSA-N 437.470 1.639 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1541105209 GJGDKIRCAMGVSR-SOLBZPMBSA-N 433.582 1.787 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2ccco2)N(C)C)CCOC1 1541733586 SEILWZPRLRWKTC-NJNPRVFISA-N 444.536 1.943 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1541803470 IOCSIYYSMBZOIM-YJBOKZPZSA-N 449.533 1.590 30 10 IDEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1541860791 BHRWMYKRWXRJFS-GOSISDBHSA-N 431.548 1.807 30 10 IDEE CC(F)(F)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541895561 DCKBFUMZBKQHAD-OAHLLOKOSA-N 430.463 1.868 30 10 IDEE CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1547061942 JZRPJTDCMQXWMC-SFHVURJKSA-N 439.520 1.875 30 10 IDEE CCCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)cn1 1547279145 JETDKJSOGDQRBA-NSHGMRRFSA-N 442.520 1.963 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1555940104 CECWWBSWGWOSEV-IJSVZKGHSA-N 447.499 1.550 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1555995271 CUPKXMSAWSNLOC-OSCRUYLVSA-N 425.493 1.438 30 10 IDEE CCOC(=O)C[C@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1556833399 XXPPFEVIEAWLKM-APWZRJJASA-N 431.489 1.823 30 10 IDEE COC1(OC)CCOC[C@@H]1NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1557585872 IFAJDEOAXGKRER-WBVHZDCISA-N 439.534 1.034 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1558075516 WUCIQCFQEWNEBK-QGZVFWFLSA-N 442.582 1.026 30 10 IDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCS(N)(=O)=O)C[C@@H]1C)C2=O 1565538918 GUPIXKIELZCNGO-NIVTXAMTSA-N 444.893 1.042 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1c[nH]c2ccc(Br)cc2c1=O 1587068016 GUWHDKPCMYWUCM-UHFFFAOYSA-N 443.261 1.974 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1588068891 BPVZMBXUIBJCNW-KRWDZBQOSA-N 428.518 1.408 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(F)(F)C1(OC)CCOCC1 1588159422 WFRLLMHNTGKEFP-UHFFFAOYSA-N 435.475 1.304 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1588180359 CVLQCRLJVVXLKY-HNNXBMFYSA-N 434.591 1.667 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1588968042 FXUFXHLNEXADNU-QGZVFWFLSA-N 432.594 1.623 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1589053114 HOERNFGMLXACRB-UHFFFAOYSA-N 432.550 1.723 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594498802 XNYWQXXININWOR-CABCVRRESA-N 430.596 1.406 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1594857675 NYZDOYFVMMGTTJ-MRXNPFEDSA-N 433.582 1.944 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 1595517146 QMESMINDUPKFLY-UHFFFAOYSA-N 437.953 1.914 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595595439 UWTKBRGVRNOVDG-INIZCTEOSA-N 442.520 1.225 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 1595791197 XGHFKXZMFLVLFH-INIZCTEOSA-N 425.501 1.579 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CC2)C1 1595799047 WDJSKWAVAFEITJ-HNNXBMFYSA-N 428.580 1.161 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 1596315366 RTKMWONZBAVOLG-UXHICEINSA-N 444.576 1.698 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1Cc1ccc(C#N)o1 1611684117 GXRXBIJGXWNNTF-HOCLYGCPSA-N 448.549 1.654 30 10 IDEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)no1 1611952534 GTPWFBQSVWHWRC-KRWDZBQOSA-N 449.537 1.086 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1615092448 DGYCEHBWAXJBDH-HNNXBMFYSA-N 447.565 1.412 30 10 IDEE COCc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)cc1 1619660799 QZZUYWVFBWPMNZ-ZCNNSNEGSA-N 427.505 1.926 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1620080709 HNOWXYBCNWOYDD-QGZVFWFLSA-N 442.476 1.033 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1620110990 HOAIVNJXQZEMCX-MUGJNUQGSA-N 448.568 1.088 30 10 IDEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1620356558 BNNMWSLAJMBCLC-JVMRMLDLSA-N 425.493 1.266 30 10 IDEE C=CCC[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1632038909 XYMJJXBFBLUBHA-MRXNPFEDSA-N 441.550 1.483 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCOCC1 1632880497 RCEPQNMURPDNDI-HYEKCJMVSA-N 436.509 1.339 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)s1 1634327154 FSXCOXIOYADBDS-CABCVRRESA-N 434.605 1.569 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(CCc3cnccn3)CC2)CC1 1643281683 XOEMPBPSWCLJBI-UHFFFAOYSA-N 427.549 1.814 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)c1 1653639683 COYMVZVDROCSAN-CYBMUJFWSA-N 439.335 1.855 30 10 IDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 1656436754 KLYVIFPSJWJGAQ-QGZVFWFLSA-N 438.550 1.685 30 10 IDEE N#C[C@]12CN(CCS(=O)(=O)c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1660446464 CHOJHQPWDCGRIA-SWLSCSKDSA-N 433.349 1.093 30 10 IDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 1671103891 CDTNWZUWWNVTMN-UHFFFAOYSA-N 438.463 1.609 30 10 IDEE C#C[C@@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1673018597 PGXJZACPXILDPY-QGZVFWFLSA-N 448.545 1.174 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1683230665 WLBUYFXLIQSJSQ-XMDUPGNXSA-N 426.539 1.260 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 1687244962 JTWUDLPGEVFICW-GOSISDBHSA-N 449.964 1.994 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1689986600 SZOTYINDFHTWNG-INIZCTEOSA-N 441.513 1.925 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1690008765 NTWRYRCLYPVVHE-UHFFFAOYSA-N 433.921 1.006 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CC1 1690122669 YOVZFLJXHHDGEO-GOSISDBHSA-N 446.914 1.856 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1690933038 HEFGBELCVALLII-LJQANCHMSA-N 438.532 1.711 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1698116950 GGYGFXYQVVPERV-KRWDZBQOSA-N 442.520 1.369 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705475543 MOQRJIYEDJKWGV-MJGOQNOKSA-N 440.548 1.947 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)COC)CC1 1705511953 KYTJSJPNWIUIAZ-UHFFFAOYSA-N 449.519 1.019 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)NC)CC1 1705530443 PARWMCHEVURWGD-UHFFFAOYSA-N 443.577 1.614 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1705551428 NKEYJMAGHSXJAH-HKUYNNGSSA-N 447.561 1.456 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1705563997 JDQRKTCDOCQIQA-GOSISDBHSA-N 432.594 1.642 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC2(O)CCOCC2)CC1 1705649115 KQBWUTFAHBHOOX-UHFFFAOYSA-N 438.532 1.238 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705654809 UDHHRFALURMGBX-UHFFFAOYSA-N 428.518 1.734 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1705660907 KTVLMNSDMZCIHV-UHFFFAOYSA-N 431.537 1.845 30 10 IDEE C=C(Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C)c1ccccc1 1705743735 GZVZLQJMRDVEDU-UHFFFAOYSA-N 435.536 1.624 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1nccs1 1705754909 IFUIPVBQVHJPGE-CYBMUJFWSA-N 446.986 1.499 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705816321 BJWXHRIMJDZGMA-HNNXBMFYSA-N 431.566 1.871 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705990515 WHMJUXUENXSSQF-XUTLUUPISA-N 435.488 1.140 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706108058 OBSWZWXQWJOYNJ-MJWGMMHASA-N 441.536 1.303 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1706746960 GMDQURPDEUJXBV-HOTGVXAUSA-N 427.534 1.968 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1711290985 JXMFZDXZQDWPQL-QGZVFWFLSA-N 439.520 1.827 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H](C)O1 1712304720 RUTHWADQTIKENO-KVSKMBFKSA-N 440.504 1.247 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712686103 FQILVQCQJDLCPX-FUHWJXTLSA-N 431.518 1.505 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712694988 FZOPKKMRKYHDHF-SFHVURJKSA-N 438.513 1.662 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC(=O)N2)CCO1 1712882692 FUSUYPABLPXWEH-CHWSQXEVSA-N 449.284 1.854 30 10 IDEE C#CCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722340982 ONYYMNLOUUZAML-QFIPXVFZSA-N 425.537 1.849 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1722387196 AFSVWEGBORYISE-CALCHBBNSA-N 428.537 1.648 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(CC)c2)CC1 1722442290 YBPBQGNTOVIMKZ-UHFFFAOYSA-N 438.561 1.290 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1722502993 UYQSIXKPEFYLEB-MSQSPTIYSA-N 434.537 1.911 30 10 IDEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1722639640 PFOVJNJHSFEULO-UHFFFAOYSA-N 426.489 1.709 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC=C)Cc1cccs1 1722699832 ZLDVJDMEFITBKA-HNNXBMFYSA-N 435.575 1.737 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722728409 VRRABSPHYLPGGZ-FQEVSTJZSA-N 445.589 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC[C@H]2C)nnc1[C@]1(OCC)CCOC1 1722736717 FXFWPZKZJQDZRU-QAPCUYQASA-N 430.596 1.473 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722739837 XSFIVFTWOLBMSL-CVEARBPZSA-N 434.566 1.468 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1723781307 YNHHAFZNWSADPV-LSDHHAIUSA-N 440.570 1.833 30 10 IDEE Cc1ccn2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CC[C@](F)(C#N)C3)nc2c1 1724247040 GWFGBOQRESQKKU-LIRRHRJNSA-N 446.512 1.335 30 10 IDEE Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)on1 1726439307 DTFMKGIMZJKGHA-INIZCTEOSA-N 428.474 1.422 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1729203092 QOHDGIVNVHXFCN-FQEVSTJZSA-N 444.517 1.282 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1730475974 DBPLGXXCWFCFMH-QZTJIDSGSA-N 427.509 1.384 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1730917970 XEACCRAICVVWMG-UHFFFAOYSA-N 433.534 1.495 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1/N=CC=CC1=O 1740602865 XZINHXQGAPNGSS-XDOYNYLZSA-N 442.483 1.931 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1740730927 LGUOZENISNTBEC-FXAWDEMLSA-N 448.549 1.619 30 10 IDEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(=O)(=O)NC)CC1 1740822507 RZHABNFEGACZQA-UHFFFAOYSA-N 427.534 1.836 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740865690 QJCMMMNACYMPAN-IBGZPJMESA-N 443.552 1.523 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccco1 1740897162 XAHIJRXOPDFTQH-UHFFFAOYSA-N 443.533 1.883 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1740964980 BVOVQJLJPLUZGD-FGTMMUONSA-N 432.569 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1740991328 UDKYBHMIHLUGPO-HZSPNIEDSA-N 431.509 1.558 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCSC1 1741371624 GJWGCLNHSVZXLF-MGPUTAFESA-N 428.566 1.646 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1748888234 QJYQKGZHXIRMFY-LJQANCHMSA-N 439.541 1.556 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749031811 JUEZTAJOCGETTH-MJGOQNOKSA-N 429.594 1.592 30 10 IDEE C#CCSCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1749048608 RXHWEZQAYDHALN-FQEVSTJZSA-N 435.550 1.375 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1749097244 QPHUMUNTBLPHAI-IRXDYDNUSA-N 429.477 1.400 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1749664149 XVASCHULPYOUNU-UHFFFAOYSA-N 445.531 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC1CC1)C1CCC1 1749734763 MGQRXRIILJCPAX-INIZCTEOSA-N 442.607 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1CSC 1749738685 UUDRJFKPSXPGFI-OAHLLOKOSA-N 427.596 1.333 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC=CCO2)c1 1750193217 NSEMOZBGLJROPL-DLBZAZTESA-N 429.502 1.422 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1760146562 POVRGADKHMLAMY-INIZCTEOSA-N 427.534 1.689 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760205900 MHUOQWOYTOAAPM-WOIUINJBSA-N 431.606 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1760212737 CRCPVLDYKKIWRQ-QFIPXVFZSA-N 439.541 1.290 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[S@@](=O)C(C)(C)C)CC1 1760265285 VOZXNJPNTASHMY-FGRKSUEESA-N 437.610 1.305 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1760290944 UXPQWRQABRVWGY-IOMROCGXSA-N 436.578 1.747 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1760354273 UUZRYXNUMYHIGW-UHFFFAOYSA-N 434.928 1.881 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760427788 INUHZBOEEFFFQQ-OTWHNJEPSA-N 437.610 1.693 30 10 IDEE C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1760452706 IDWSEVRMLZLUTD-FGTMMUONSA-N 435.569 1.741 30 10 IDEE C=CCCOCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1760453366 UGJQXJPQROXYQJ-JBYIUTFZSA-N 433.553 1.770 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccsc1 1760522853 ZQZRQGFJAVVOQB-JKSUJKDBSA-N 435.575 1.885 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)CC1 1760532597 ZMLQEUYVZYAPOH-UHFFFAOYSA-N 433.534 1.264 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760556732 OJWCYDPEXMRIDK-GOSISDBHSA-N 441.561 1.592 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(C)(C)O)c2)CCOC1 1765923572 PTNOUWFPKPNXIN-AUSIDOKSSA-N 441.532 1.935 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCSC1 1766958313 IIYRRLQRABMOLP-CVEARBPZSA-N 425.518 1.747 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCSC2)C1 1769064172 FVFMXZYUCPNZLV-UWJYYQICSA-N 428.562 1.737 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1769171811 NPALNNFLIDHYDQ-XMMPIXPASA-N 449.559 1.953 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770601039 WRWRJOXRJBAGBI-LQTLECTNSA-N 447.499 1.958 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCCO2)C1 1770727432 MGXLHCSFSLQFJW-IIBYNOLFSA-N 443.483 1.953 30 10 IDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)CC2 1848693903 UQXJYRZOXVEIFK-QGZVFWFLSA-N 437.884 1.812 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1856412282 QJIFIOYAYLIRTJ-HKUYNNGSSA-N 432.546 1.593 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cn2cccc2)CC1 1857364820 GMGMTXJUYXSASJ-UHFFFAOYSA-N 426.498 1.918 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@H]2CCOC2)CC1 1857468166 XQKRGOCHYYULCM-KRWDZBQOSA-N 431.514 1.843 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2)cc1 1858640997 OCPBFJNBRVQONO-UHFFFAOYSA-N 433.486 1.808 30 10 IDEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(c4ccccc4OC)CC3)ncnc21 1873595500 GBKBWOSFIHCCOP-UHFFFAOYSA-N 436.516 1.675 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)CCC(F)(F)F)CC2)CC1 1889552743 SINUFHWYQHEUBY-UHFFFAOYSA-N 439.544 1.779 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1984992187 HWPSLWJLAPTWGI-XHSDSOJGSA-N 425.526 1.780 30 10 IDEE C#CCN(CC(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1985010765 GHDFYQJBHRNOEY-NRFANRHFSA-N 425.526 1.735 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2020668623 LQSSFVHBXAPELI-VFNWGFHPSA-N 443.541 1.306 30 10 IDEE C[C@H]1COC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N1C(=O)OC(C)(C)C 2124540009 BPYTXRSUOWBRCO-ZFWWWQNUSA-N 448.329 1.739 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2136167159 UIRUESZPWXJEMB-MJBXVCDLSA-N 426.267 1.600 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243386942 KMYYHYJLUVJWFW-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCONC(=O)OC(C)(C)C 2255633528 CIRXAVDFEKJIOK-UHFFFAOYSA-N 438.334 1.604 30 10 IDEE C[C@@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255639030 QHROCHXVVHMKKB-ZYHUDNBSSA-N 447.288 1.971 30 10 IDEE Cn1cc(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255648420 LVZRHJRXNJXCNH-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 2255649859 MJTYXBRLVFMTOC-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826092 KFVOQSFCTGPUGM-KWUMSVIQSA-N 438.309 1.834 30 10 IDEE C[C@H](CCOCc1ccccc1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255932990 IWMRJANVUBTQTI-MRXNPFEDSA-N 449.382 1.993 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063067 UNUHHLBTNXDGKE-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1B1OC(C)(C)C(C)(C)O1 2267005168 KPBYNTUFHIGBGO-CQSZACIVSA-N 445.329 1.304 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267113128 PNWUTCBMRZWDCQ-KGLIPLIRSA-N 449.361 1.680 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1B1OC(C)(C)C(C)(C)O1 2267124512 MBQQHSLVRHYJBG-AWEZNQCLSA-N 445.329 1.304 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267521502 SZCFKIYOMXOPEK-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE Cn1nc(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267548797 VELGRUPAFQKIKE-GASCZTMLSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267597488 VXIPHKAHQRZJNR-UHFFFAOYSA-N 447.341 1.529 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267729534 MMQHNQIETCSMPV-CVEARBPZSA-N 448.325 1.713 30 10 IDEE Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC(C)C)cc3n3c(=O)n(CC#N)nc23)cc1 45943676 WZLDCPKBKFWIIM-UHFFFAOYSA-N 430.468 1.829 30 10 IDEE C=CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447414029 PVSFOQJMTKIFIJ-UHFFFAOYSA-N 445.491 1.586 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cn1 461743838 BKXULUDZKPYEIC-UHFFFAOYSA-N 432.412 1.724 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cn1 461748224 UCCOKAATYXMYOM-FQEVSTJZSA-N 441.451 1.553 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)o1 471186366 HSASVUQEBYIPNV-KRWDZBQOSA-N 427.526 1.370 30 10 IDEE CCc1nsc(N2CCN(CC#CCN3CCN(c4nc(CC)ns4)CC3)CC2)n1 472586879 SKLVUMOXRFLNDJ-UHFFFAOYSA-N 446.650 1.462 30 10 IDEE CC1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 478413685 CSWHTBZCQPHIBO-VGOFRKELSA-N 426.473 1.560 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@@H]1CCCO1 486846770 ZAUIOINDGSEBGU-HNNXBMFYSA-N 447.919 1.687 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1 508912839 MGNVMTSMLCPODC-GOSISDBHSA-N 435.550 1.702 30 10 IDEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 510467737 RAFUKGDYAXRXQN-UHFFFAOYSA-N 432.612 1.844 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 512596043 AFFAYEXWEIYQCO-HNNXBMFYSA-N 449.349 1.248 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 523256908 ZRGHOFZAVFQHMX-KRWDZBQOSA-N 425.554 1.360 30 10 IDEE COc1cnccc1N1CCN(CC#CCN2CCN(c3ccncc3OC)CC2)CC1 556533340 CHZNRSGZGOTCFI-UHFFFAOYSA-N 436.560 1.441 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)CC3)CC1 559238391 AYTDKRHZYYGXAN-OAHLLOKOSA-N 440.935 1.788 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 567118972 SBEYORWWCZOHCJ-UHFFFAOYSA-N 428.470 1.698 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 590973045 NVEOBWUULPPWGC-HNNXBMFYSA-N 437.496 1.692 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 605418123 VIOAXTGLSNGPDX-UHFFFAOYSA-N 436.578 1.852 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 609451641 AZLGCKKZKHINES-UHFFFAOYSA-N 443.552 1.198 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1 680517735 UJOAPZZDRNMPGG-UHFFFAOYSA-N 432.480 1.547 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1C 730140270 FDQKJRQXONGOIE-GOSISDBHSA-N 445.589 1.581 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730141121 NAFQNEGFUKGEJP-SJORKVTESA-N 447.605 1.827 30 10 IDEE Cc1ccc(S(=O)(=O)NCCCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1C 732155432 AYYFQSLLXFEFTB-FMQUCBEESA-N 434.518 1.005 30 10 IDEE COC(=O)[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)c1ccc(C#N)cc1 740235934 FSKZUYKZBZHWDI-IPMKNSEASA-N 426.400 1.730 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 746108666 DXDMRLQNRFSQLF-MRCUWXFGSA-N 446.529 1.394 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC2 750640408 HPTOAKDXWDBUKN-QDASYUEBSA-N 433.509 1.696 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1C[C@@H]1CCCO1 752192933 BTUVCRXKOCOOJH-ZDUSSCGKSA-N 432.571 1.137 30 10 IDEE COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 754490652 OCRRRBCZBRHSED-KRWDZBQOSA-N 436.472 1.105 30 10 IDEE CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cn1 770462951 GNBANOAUVIAHNP-JTQLQIEISA-N 434.499 1.596 30 10 IDEE N#CC1(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CC1 775828392 QHGODZHNJDBJKN-UHFFFAOYSA-N 429.292 1.931 30 10 IDEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccn2)CC1 780177258 MJNOCGMGUMGHTC-BTYIYWSLSA-N 431.493 1.319 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2ncn(C)n2)cc1 780319651 YBIGEAQYCYETON-DOTOQJQBSA-N 443.577 1.884 30 10 IDEE C#CCN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1CCS(=O)(=O)C1 782585862 WHEPYCLPTFVURQ-SNVBAGLBSA-N 427.276 1.043 30 10 IDEE CCOC(=O)c1cnc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1C 788164954 WMJUPHUWXHJUOB-UHFFFAOYSA-N 447.517 1.834 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C2=O)n1 788368095 YTIOVVUXEOIDJQ-IBGZPJMESA-N 446.552 1.279 30 10 IDEE COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cncc3ccccc23)c1=O 794583175 XMDMMXKWOGZFQX-KRWDZBQOSA-N 449.532 1.603 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1CCS(=O)(=O)C1 798320525 RAFUKZDCXMXDGQ-MRXNPFEDSA-N 436.511 1.021 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 802603557 RIJIUJLDUQNJNP-QGZVFWFLSA-N 433.534 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1116585602 GEUBAPCWVBYEEU-OALUTQOASA-N 442.516 1.974 30 10 IDEE CC1(C(=O)NCc2nnc3c(=O)[nH]ccn23)CCN(c2ccc(Cl)cc2C#N)CC1 1133666006 BRRYPMZTGDPIEY-UHFFFAOYSA-N 425.880 1.866 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cccc(F)c2)cc(OC)c1OC 1136475752 QTXRXWSMLSCGEY-OAHLLOKOSA-N 437.449 1.511 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2 1136671544 LCNASUUDRVAZCA-VZCXRCSSSA-N 427.411 1.895 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1 1141740408 XZYLHBNJLCUSTF-UHFFFAOYSA-N 449.558 1.726 30 10 IDEE CN(C)C[C@@]1(O)CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1156611647 IKUZHIHMCSUVOG-NRFANRHFSA-N 426.477 1.901 30 10 IDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C(=O)OC 1161364464 CUGLMAXACHYGNR-MRXNPFEDSA-N 430.438 1.511 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1175917878 RTNHZLHTVALREY-GOSISDBHSA-N 437.562 1.051 30 10 IDEE C#CCCCNC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1248473280 MVSWFTNUOLIINJ-ZWKOTPCHSA-N 433.553 1.977 30 10 IDEE Cn1cc(I)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1273009126 BYCWDKNOYWKPJD-LBPRGKRZSA-N 449.252 1.566 30 10 IDEE Cc1c(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)ccc(Br)c1C#N 1276706361 OZWLHFVQBHXHLJ-UHFFFAOYSA-N 445.277 1.405 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1286296273 NVAADNUPCCNPBY-WBVHZDCISA-N 446.552 1.571 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286394244 OEJHLNHRGSXBRU-QGZVFWFLSA-N 445.545 1.585 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286428680 FENHPNIQADMXSK-NHCUHLMSSA-N 440.592 1.925 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2COCCO2)CC1 1286484168 FJPNNXZTPACBIE-NRFANRHFSA-N 425.533 1.645 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1286523176 WRWRINKIUSCMDX-DYESRHJHSA-N 442.545 1.178 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C 1290165621 UFUIDMFAVKCUPE-UHFFFAOYSA-N 431.500 1.801 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@H]2CCOC2)CCOC1 1296605812 KIFUBPVBHBSOSO-DUXKGJEZSA-N 437.516 1.815 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 1297722603 LTLQRVNZESNALB-UHFFFAOYSA-N 427.567 1.425 30 10 IDEE CN(c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1298181834 DJFMRCCMKJVABO-KHOFPDMRSA-N 436.516 1.815 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCNS(=O)(=O)CC)CC1 1300693081 RPYWAVKOKBJDEE-UHFFFAOYSA-N 446.577 1.038 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300892625 UTSJNTMKCOFVTJ-SJBKTWHCSA-N 440.548 1.586 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1301402353 FSXKAMBLSCVVBC-SFHVURJKSA-N 432.550 1.541 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCC2)C1 1301538666 JSQVESLDDOYHCD-JKSUJKDBSA-N 426.587 1.154 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1302005067 XUVZMIIGRSEEKB-LSDHHAIUSA-N 433.534 1.511 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1303454003 KJMRMLPBYSVWGC-SFHVURJKSA-N 449.519 1.686 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)CCOC1 1303763979 QIHSFADKHWULMM-DXIQSLLYSA-N 448.568 1.016 30 10 IDEE C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1305562593 VMFPHZVCUHPZNB-MELADBBJSA-N 436.534 1.676 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)nn3cc(Br)cnc23)C1=O 1309444245 HHBXTJRYHCQGJF-GFCCVEGCSA-N 428.312 1.208 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(CCNC(=O)c3ccccc3F)CC1)C2 1313190751 MYMRHCLCHYXQCY-FQEVSTJZSA-N 435.503 1.922 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)CC1 1316567428 LPOKBIFRWWRKBG-BMRADRMJSA-N 439.442 1.366 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1358895860 SEPVJDPSDTWKBK-KRWDZBQOSA-N 440.523 1.882 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358967911 VLKAHXVYCOGBIE-MJGOQNOKSA-N 448.520 1.802 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1358969455 PLHWYTXPBRIDJD-UONOGXRCSA-N 436.563 1.173 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1359028923 JJBVLUBYMMIOCB-QZTJIDSGSA-N 437.548 1.884 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccccc1 1359137926 FMFJHANQXQGROP-HRAATJIYSA-N 446.577 1.564 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359243242 KLMHBOXAMYTVKV-OAHLLOKOSA-N 430.475 1.676 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1359281003 LJOOKAUMKIGWRI-CYBMUJFWSA-N 439.442 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1359298060 LDDNNZFRESLDHK-MRXNPFEDSA-N 428.541 1.114 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCCOC)C1 1359300469 CJNXSUQLJLMYAU-VQIMIIECSA-N 443.504 1.335 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1359336569 UZNOTHXRXHXUEO-UHFFFAOYSA-N 430.582 1.761 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1359591683 DKLMMBVMIGSEKX-IAGOWNOFSA-N 438.598 1.876 30 10 IDEE COc1ccc(C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c(OC)c1OC 1459624925 JBJNIWOZZGKHPY-KRWDZBQOSA-N 447.532 1.542 30 10 IDEE COC(=O)c1cccc(CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1C#N 1460357899 DQBYJAPWZZRDQY-UHFFFAOYSA-N 428.514 1.497 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1502378076 RJSRLQQBVJYLMN-UHFFFAOYSA-N 434.504 1.970 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1CCNS(C)(=O)=O 1503463844 IEPOLLRGGUYCLZ-UHFFFAOYSA-N 425.518 1.321 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1503871706 APHUUIWAEIPDAC-IIBYNOLFSA-N 443.529 1.596 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1505133888 GQPHBUDTQPTTEQ-MRXNPFEDSA-N 439.925 1.674 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1507685931 XZVXGTDZYINUNW-UHFFFAOYSA-N 425.489 1.425 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1507735959 JQXUTCXYZFTPLW-LYHRCORUSA-N 445.564 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOCC(F)F)CC1 1507739671 TUHVSIPOGPWZFX-MRXNPFEDSA-N 425.480 1.420 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1507846302 HRODFTPHOABLCL-UHFFFAOYSA-N 440.595 1.308 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2)C1CC1 1507987554 GBYIOJLYFTWJCK-CQSZACIVSA-N 444.561 1.377 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1508070662 ASZOKQVVMQASLQ-GJZGRUSLSA-N 433.538 1.895 30 10 IDEE CCO[C@]1(c2nnc(N(C)CCS(=O)(=O)CC)n2Cc2ccc(C#N)o2)CCOC1 1516154208 NIUTXHRUIWPUEL-LJQANCHMSA-N 437.522 1.314 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNc2ccccn2)CCOC1 1516219795 DOSMTXNZAXQCHU-UWJYYQICSA-N 427.509 1.556 30 10 IDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1517028488 CUPBVWLXVAOOQI-QZTJIDSGSA-N 444.561 1.712 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)C1 1517411227 CYVUQISOEQWZHF-SJORKVTESA-N 438.305 1.544 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](OC)C(C)C 1519446923 IAOUOCLCIZSKKY-RNQOJCNYSA-N 432.569 1.850 30 10 IDEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1521070175 ZSRHVLQHFLSTPL-OAQYLSRUSA-N 445.545 1.108 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2Cc3cccc(C#N)c3C2)C1 1530455826 PGSUCRDPYTUWEF-IIBYNOLFSA-N 431.514 1.682 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCOCC1 1538974470 VJKWVPGOJZLTOR-CYBMUJFWSA-N 435.326 1.363 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1539180042 VNGJUHOPEAEPDI-MRXNPFEDSA-N 432.550 1.053 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([S@@](C)=O)CC1 1539406379 ZLSDUVCEQCCJNC-SSEXGKCCSA-N 430.530 1.713 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539779521 ZVSPZWNBCWDAHN-ROUUACIJSA-N 426.993 1.971 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1540040531 WZQULTIAJQMMDZ-UHFFFAOYSA-N 430.475 1.678 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 1540867393 UZURSHOTPMSDGA-GFCCVEGCSA-N 433.310 1.321 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1540899892 DIIFHZDRJHDOPO-NRFANRHFSA-N 431.562 1.817 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540917422 WEOVJZYYPPRUBY-IAGOWNOFSA-N 443.639 1.809 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1541115901 GSGMGIZAFHMCMD-GJZGRUSLSA-N 443.595 1.133 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCCO)n1 1543065881 NCDBZDPRVJMGPD-FQEVSTJZSA-N 426.569 1.869 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1548336404 XXZPEJMGYGCHCS-LJQANCHMSA-N 436.513 1.725 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H]3CC[C@H]2C3)n1CCN/C(O)=C1/N=CC=CC1=O 1555624645 NRMPMTGBMFKQBJ-DGPHOGNSSA-N 430.509 1.517 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1555806318 GVTJFAAPHGMWHQ-IAGOWNOFSA-N 428.518 1.109 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)C1CCOCC1 1565105940 NLWZLGZXZYAWEW-KRWDZBQOSA-N 427.473 1.409 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1565156035 AEDVEXITKRPEJP-QGZVFWFLSA-N 437.338 1.753 30 10 IDEE CSc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1C#N 1584320178 GGQKSSWSTLYVTO-UHFFFAOYSA-N 426.483 1.621 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C(CC)CC)N1CCOCC1 1587663057 TYWFPZMNQZMPQB-UYAOXDASSA-N 430.597 1.995 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1587861025 FXEKQBLOCPCAKS-INIZCTEOSA-N 445.520 1.586 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1587974993 IUSXZNIYLFTEKP-KRWDZBQOSA-N 435.532 1.465 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1588046060 WENUEDABCCWSRQ-IBGZPJMESA-N 442.589 1.841 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1588064815 PLZJZSBHLUZSCQ-KRWDZBQOSA-N 428.562 1.367 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1588194699 ZDNJGVAIVYUWIY-UHFFFAOYSA-N 434.544 1.581 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1588385678 JHXWXEDXLKLHEE-IBGZPJMESA-N 449.552 1.842 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CC 1588595717 ZMJLAOFAFKTETL-LJQANCHMSA-N 445.589 1.919 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1588646456 KMEGKHTZNQZQNY-HXUWFJFHSA-N 445.589 1.376 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1588806079 FUVHCISACGSFIM-LPHOPBHVSA-N 426.496 1.591 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1588968295 HJMKQEXJKMKLAJ-UHFFFAOYSA-N 430.500 1.565 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCCC2=O)CC1 1588968408 LBIRMCPJTUUGQI-LJQANCHMSA-N 442.564 1.498 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589059635 HFZGDKYATDOTEA-HRAATJIYSA-N 446.577 1.701 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1589109582 GPMASPNLUFOBAZ-UHFFFAOYSA-N 440.529 1.984 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1 1595476309 JTNCRUYOJRIIMD-HNNXBMFYSA-N 444.511 1.951 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595562272 SCLUGGNXRXLSKV-KRWDZBQOSA-N 445.593 1.095 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602017 DBNAWBXXKWKGOU-YHYVQYDKSA-N 449.552 1.005 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1603306228 XHJQJSFSEZDRPM-QAPCUYQASA-N 429.498 1.516 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc4cccc(C(F)(F)F)c4nc3O)C2)c(=O)nc1O 1607497406 GZMNBTJPRSRUNB-UHFFFAOYSA-N 431.330 1.790 30 10 IDEE C=CCN(C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1624055519 VWBPQBYAOSKKOV-OAHLLOKOSA-N 425.482 1.505 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1Cc2ccccc2C1=O 1624067020 AFOHUYZCRRHHDK-MRXNPFEDSA-N 438.509 1.436 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1628511445 ZQIQFLQVRKVUGC-ZHRRBRCNSA-N 449.507 1.660 30 10 IDEE C#C[C@@H](NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1)c1ccc(Br)cc1 1628543906 ZOXLIYHWNQIOKJ-GFCCVEGCSA-N 430.262 1.548 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)C1=O 1634836961 GPBWPNQKCGTXKW-IMJJTQAJSA-N 448.520 1.504 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)ccc1F 1637392455 UQBMIIKYCDGOGF-OAHLLOKOSA-N 436.465 1.764 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCCCN1CCN(c2ncccn2)CC1 1638310353 LXXHGLLMOBXPAO-QFIPXVFZSA-N 430.553 1.757 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)c1 1638811155 UDZISTAWUQZRCV-IBGZPJMESA-N 425.510 1.377 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cc(N(C)C)c(Br)cn1)c1cc[nH]n1 1640818584 VZVYYZANCPGGAN-UHFFFAOYSA-N 439.270 1.556 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2Cc3ccc(C#N)cc3C2)cc1C 1643728593 JFJMXOPKXSMSCI-FQEVSTJZSA-N 440.525 1.630 30 10 IDEE C=CCC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1648525905 HDYOIYWILAWTID-GOSISDBHSA-N 449.573 1.721 30 10 IDEE C=C(C)CN1CCC(NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1677106040 XZWUDBXEWYQCRQ-KRWDZBQOSA-N 435.569 1.546 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCN(C(C)C)CC1 1689961069 KGMZYGJUQFDHLD-UHFFFAOYSA-N 435.532 1.899 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(=O)N(C)C)CCCC1 1690030017 MSRFNZSDKYPOAX-OALUTQOASA-N 427.549 1.724 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(C)(=O)=O 1690038238 IGHLMVRIPDZWGV-UHFFFAOYSA-N 435.937 1.619 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2nc(C)cs2)CC1 1690109677 ZWLAWIKUPUFJEP-MRXNPFEDSA-N 427.578 1.838 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690169626 JAOSOWYEAZGZED-CQSZACIVSA-N 425.522 1.172 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690472756 VCEBDPFTANKSQR-JKSUJKDBSA-N 426.587 1.548 30 10 IDEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1690585750 UPPOBAXAQOUEKN-UHFFFAOYSA-N 431.566 1.813 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@@H]1C 1690588463 WSBSFFLXBAHTQZ-SFHVURJKSA-N 435.536 1.820 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 1690653436 QSLKCRJMJSWCAQ-WMZHIEFXSA-N 446.596 1.639 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690660832 PAODZZDFAUKBQZ-ROUUACIJSA-N 431.562 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690715007 ATFXCWUWMFFEKG-UHFFFAOYSA-N 449.581 1.518 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCNC(=O)[C@H]1CC 1690725482 ROUCFXRQYHJXKQ-QGZVFWFLSA-N 435.525 1.324 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1692655096 CJOZHRBZTMFZEL-AWEZNQCLSA-N 447.517 1.352 30 10 IDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1693854534 GCYLKDSJVAECDP-UYAOXDASSA-N 440.548 1.801 30 10 IDEE CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cn1 1695455060 BZKNHMMPKHWRJV-HNNXBMFYSA-N 447.565 1.860 30 10 IDEE CCN(C)C(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695501900 BLAVWSGMELKXAU-INIZCTEOSA-N 437.552 1.791 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1696477843 KNBMSXLKZXEIOI-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1697714961 OQHIYQQYXOZCQQ-QGZVFWFLSA-N 430.484 1.533 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697774018 FNYJNPSQGBVSRZ-HOTGVXAUSA-N 437.483 1.701 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CCO1 1697911945 LSAJPYUBUOEKEE-HXUWFJFHSA-N 425.489 1.927 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1698461820 ASIKHVUMNZLXEQ-IUTYPILCSA-N 430.509 1.312 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCS1(=O)=O 1705498482 WTBCAMGOIKNVAC-SJLPKXTDSA-N 426.546 1.942 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCN(C)C 1705550434 ZYFWWNWLTSHGMM-UHFFFAOYSA-N 437.548 1.884 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705566756 PWJGCEFYVLTBPR-ROUUACIJSA-N 430.530 1.466 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705739920 WGTKRIBRUFHWAA-GHTZIAJQSA-N 443.596 1.889 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1705843597 JMGPOAGSWKAITQ-LJQANCHMSA-N 429.590 1.902 30 10 IDEE C=CCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705893716 PMJYRPOLDWLUGT-QFIPXVFZSA-N 440.552 1.745 30 10 IDEE CC(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1706637777 JWVZGLUNAZMGCG-GOSISDBHSA-N 438.536 1.638 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1706748902 MDODIFVXCHBUQT-HNNXBMFYSA-N 429.525 1.855 30 10 IDEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1712171509 LEKNIUAPNYCWIB-XCLFUZPHSA-N 429.431 1.618 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1722332150 DSHFNSPKHMJZQS-QGZVFWFLSA-N 436.538 1.266 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1722343658 NKMIKDDOEZJHGO-CYBMUJFWSA-N 441.355 1.529 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1722369410 YXBOLXSKVRSEQS-GOSISDBHSA-N 429.546 1.228 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1722395795 BSXZWWFAGNICRY-INIZCTEOSA-N 443.504 1.421 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722449413 JEOJFPUQFKONMO-SFHVURJKSA-N 447.605 1.411 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722471728 OWQVWZYSXNXKID-QVKFZJNVSA-N 444.536 1.515 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CCS(=O)(=O)CC 1722486603 APONEAIMXFQMSB-UHFFFAOYSA-N 434.360 1.180 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722699221 DPWCZODJHWOYRG-GOSISDBHSA-N 449.552 1.714 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C 1722704903 ZHWLAKVASGBNBX-IBGZPJMESA-N 439.564 1.226 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)nc2OC)C1 1722720983 QSARXWYRMZLGIH-KRWDZBQOSA-N 442.520 1.642 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1722869757 RDHXDCNQIYPLEX-HOTGVXAUSA-N 425.555 1.362 30 10 IDEE CC[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1727745162 PMAKCFOYWABHFM-RHSMWYFYSA-N 434.522 1.503 30 10 IDEE CCCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1728121359 NLQYKHNBBIJLEP-HOTGVXAUSA-N 425.603 1.606 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1729926832 BBWMQVHJPBKGMU-FQEVSTJZSA-N 433.534 1.779 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC 1730463717 LDICMZDDFATXKF-RXVVDRJESA-N 445.545 1.493 30 10 IDEE COCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1730677472 KJIGRIVXSSEPFN-SFHVURJKSA-N 426.525 1.607 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1740613003 PXZNLYMFNKILEQ-NRFANRHFSA-N 436.560 1.852 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740627627 ROEVYXROCXWZTI-RBUKOAKNSA-N 435.594 1.285 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740699165 WPQMPFABIJECMX-OAQYLSRUSA-N 427.641 1.792 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnccn1 1740752559 XWDYSYPTYFACOI-ZOBUZTSGSA-N 435.554 1.296 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1 1740766287 FNSAUSASAQIOSH-YJBOKZPZSA-N 430.644 1.728 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740865694 QJCMMMNACYMPAN-LJQANCHMSA-N 443.552 1.523 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740989771 XPTXVUGWYHXCRZ-KRWDZBQOSA-N 432.550 1.293 30 10 IDEE CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1746310215 CVVGBVXGRZDMRC-INIZCTEOSA-N 437.570 1.031 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748685083 URDIJCFXVIQQBF-MRXNPFEDSA-N 441.536 1.113 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1748700169 YUJWISIFHUPLRX-TXPKVOOTSA-N 425.555 1.076 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1748751650 JNJWAUWAHBCYPV-MSOLQXFVSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(C)n1CC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1748805409 RKCLZECBXFWQNK-INIZCTEOSA-N 433.500 1.488 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1748847281 QPNIMIAEZIMKEW-QGZVFWFLSA-N 430.505 1.861 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1748890742 VLEZQIBSHWLQNE-SFHVURJKSA-N 446.533 1.090 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCS(C)(=O)=O)c1 1760129117 YIMQFSYEBCDUOQ-QGZVFWFLSA-N 445.545 1.273 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ccc(F)cc2)CC1 1760259584 NSHUYYDABIRUKP-HKUYNNGSSA-N 445.564 1.878 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1760322580 UUQOWCQXHPDTSF-KSZLIROESA-N 434.566 1.494 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760349416 KLVVHNWDODLORZ-QFIPXVFZSA-N 432.569 1.251 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1760495410 NHSBWPGOKNKDDD-QZTJIDSGSA-N 438.598 1.131 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760527407 VSTRQHPRFJXJME-OAHLLOKOSA-N 442.486 1.818 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760529035 VCQSETJDSCRKCK-PKOBYXMFSA-N 444.580 1.907 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1761282023 AOTODJAXHIOUMQ-VXKWHMMOSA-N 430.553 1.927 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1761362538 CWWQFRAKFVTNFM-RBSFLKMASA-N 428.584 1.245 30 10 IDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](CNC(C)=O)C2)cn1 1765325332 DTTQTRQWPBEZIR-HXUWFJFHSA-N 434.504 1.423 30 10 IDEE CCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2CCC(=O)NC)c2ccccc2c1=O 1765579557 BFFXTMOHWFQYSF-UHFFFAOYSA-N 448.531 1.941 30 10 IDEE CCCNC(=O)CCn1c(CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1766231846 DKERVNXRSDIQSZ-UHFFFAOYSA-N 426.525 1.820 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768032121 FURCAYQPCZGIBK-XOMICKMZSA-N 437.504 1.729 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1768171208 BXPNFDMILDLKLG-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768438450 DEAXUOQYAUIYKW-UHFFFAOYSA-N 448.535 1.140 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C[C@H]1S(C)(=O)=O 1772794039 YGTNEMVNUALDJO-YJYMSZOUSA-N 438.458 1.069 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)c3)CC2)cc1 1848718553 XZXIHHQVYHGJQV-UHFFFAOYSA-N 428.514 1.584 30 10 IDEE CS(=O)(=O)N1C[C@H](C(=O)NCC#CCN2CCCCCC2)Oc2ccc(Cl)cc21 1852656882 NKFGPKNELDFKNP-LJQANCHMSA-N 439.965 1.863 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2cccnc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635829 NKBKPAJGELWPES-CYBMUJFWSA-N 432.889 1.597 30 10 IDEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870617686 REZMIQPXLFWPBG-UHFFFAOYSA-N 439.512 1.854 30 10 IDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1nc(C)c(C(=O)OCC(C)C)s1 1872649069 IOZFZJLLDSJJMF-UHFFFAOYSA-N 437.478 1.510 30 10 IDEE COc1cccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)c1 1873526987 GFFBQZXOCHOCTC-MEBUONCMSA-N 441.307 1.820 30 10 IDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2)c1 1889715708 QQLBRBDGIGGPIR-SJLPKXTDSA-N 434.452 1.757 30 10 IDEE C=CC1(NC(=O)[C@@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1910954307 VMLPISFTAYHNJH-KKUMJFAQSA-N 441.525 1.009 30 10 IDEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1964764032 PUHAFDUFTQEMQX-QGZVFWFLSA-N 439.520 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCOc2ncccc2B2OC(C)(C)C(C)(C)O2)C(=O)C1 2232308555 XEXBUOMBRNILCD-UHFFFAOYSA-N 447.341 1.839 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)COC1 2247918922 NVCSDMXBXLBBFQ-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255605829 SFLFZMJYDFANCM-JQWIXIFHSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633074 VYSMBUCYMPCUFM-QWHCGFSZSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2255639520 GCCHMLXKAVBPCP-FICVDOATSA-N 430.314 1.371 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2255818286 JDDDZSWJMPIJOY-HNNXBMFYSA-N 438.330 1.879 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256614477 NOYBZAFWNVBKNM-QGZVFWFLSA-N 432.326 1.714 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2257589462 GSIKPZGBHOPPCM-AWEZNQCLSA-N 437.346 1.662 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C2(CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)COC2)CC1 2267108719 INBVOCZYZWRQEF-UHFFFAOYSA-N 449.357 1.059 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267126063 JJPAHVSXSGQKQP-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267586778 OMTVKBAFIPLVHO-UHFFFAOYSA-N 447.341 1.529 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872365 SNSPLMRPBRDLHO-GASCZTMLSA-N 444.341 2.000 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2268724870 PAVCQLQYLFGCPT-UHFFFAOYSA-N 449.357 1.856 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CCF)C(=O)O)cc2Cl)OC1(C)C 2284415384 NPFRCAQEXLUKDZ-SECBINFHSA-N 427.712 1.792 30 10 IDEE COc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 2329056091 MDEGNJWNUGUJDE-AWEZNQCLSA-N 449.533 1.692 30 10 IDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2365210072 XZKBXOVCRLHRTR-UGKGYDQZSA-N 436.574 1.955 30 10 IDEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(Oc2ccccc2)cc1 247967798 CGMHQIKTWFEKDO-CMCWBKRRSA-N 448.431 1.656 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCO1 409576034 MBJINKBNMBHQCO-NEPJUHHUSA-N 439.847 1.391 30 10 IDEE CNC(=O)COc1cccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 435361672 FBQRQUGXPATFSF-LJQANCHMSA-N 438.509 1.766 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCC(=O)N(CCC#N)c1ccccc1 439919892 FTBOYQZGKXWOEX-JYWFKMLOSA-N 441.484 1.665 30 10 IDEE COc1ccc(CCCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1OC 460598808 NSEJKAQOILFNHU-UHFFFAOYSA-N 448.483 2.152 30 10 IDEE Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 469013028 RVTIIOJIZYWTFI-UHFFFAOYSA-N 437.518 1.842 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488265324 QGRLOLDOQJPABU-UXHICEINSA-N 436.516 1.793 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)COc4ccccc4C#N)CC3)C2=O)n(C)n1 505885445 RHFMLDDFARFLLH-LJQANCHMSA-N 436.516 1.319 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)CNc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 508032883 NSSXZQFFFPKGNO-HXUWFJFHSA-N 435.532 1.352 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccccc2C#N)c1=O 512725137 JXZMZONZFGITGW-UHFFFAOYSA-N 446.536 1.262 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)s1 532194516 NPWXWRVBHOBOKA-UHFFFAOYSA-N 427.507 1.888 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 549873408 SLCGHEKVEKNDKS-HXUWFJFHSA-N 435.532 1.420 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1C[C@H]1CCCO1 568585415 AYHWWFDIUZSMAQ-GFCCVEGCSA-N 446.891 1.002 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1C[C@@H]1CCCO1 590913962 DSPQTTNVRYFYFA-INIZCTEOSA-N 443.594 1.840 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 609737539 LGRVVFWIZDKOCS-LBPRGKRZSA-N 446.323 1.248 30 10 IDEE CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)CC1 619684385 AQWZPKCLHARKNB-UHFFFAOYSA-N 425.533 1.849 30 10 IDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1F 732153478 HVDLEWYUIVHNRR-FBMGVBCBSA-N 438.481 1.159 30 10 IDEE Cc1ccn2c(CN3CCN(C(=O)CCN/C(O)=C4\N=CC=CC4=O)CC3)c(C)nc2c1 746100345 FUPXIZFXBMGZEC-GHVJWSGMSA-N 436.516 1.512 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 746872927 XPXSPMOGUVSYGC-UHFFFAOYSA-N 434.518 1.763 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749856387 HEQUVSBVVRYSKN-INIZCTEOSA-N 428.558 1.671 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755049160 SIWKDYAKGRTCBJ-UHFFFAOYSA-N 434.546 1.587 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)C1 758445907 QJNIVTGGONHSRK-GXTWGEPZSA-N 447.458 1.988 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)cc1 763719489 ZGJQNDYYPCVGOA-QFIPXVFZSA-N 429.440 1.853 30 10 IDEE CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 787070391 VZMPHQRXHGJIFP-UNMCSNQZSA-N 444.491 1.830 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)n1 788819336 YSSNLSACWBGLDF-UHFFFAOYSA-N 433.394 1.800 30 10 IDEE C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 810834569 UUIOVYARUQBSDJ-LEBIAJIWSA-N 434.492 1.700 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2cnc3c(cnn3C)c2=O)c1 928713151 CUHCQBMPAFWVSF-MRXNPFEDSA-N 436.472 1.625 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(C#N)s2)o1 1129865761 ZYPSYRSYWXGAAL-CQSZACIVSA-N 437.499 1.859 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OCC 1132415058 FXUXJVJMHZPUPP-INIZCTEOSA-N 445.925 1.456 30 10 IDEE C#C[C@@H](CO)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1141495855 JMGUQIVLFHTOSY-BPLGCGBFSA-N 425.329 1.761 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCC[C@@H]3N3CCC(O)CC3)C2=O)cc1 1152693322 GYFQDKLFHMDASW-AQNXPRMDSA-N 439.516 1.257 30 10 IDEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1159641725 PXTOTCNIFFHYOP-RDTXWAMCSA-N 429.498 1.937 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 1185675394 OSWBMZHXSIVCIK-VIFPVBQESA-N 427.287 1.713 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)n1 1189897480 VBNONXMIPHORBG-UHFFFAOYSA-N 439.465 1.288 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1196971919 FAGGPBBIAAVWJC-RBUKOAKNSA-N 448.589 1.525 30 10 IDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1212442126 CXNDAUBVXRLXSA-JTQLQIEISA-N 437.255 1.049 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)C1 1233850725 CUXWQGBVEJCYHP-KHYOSLBOSA-N 426.539 1.356 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1286352850 OKVGEVYCPYPCRZ-IRXDYDNUSA-N 446.552 1.667 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(F)c1 1286411048 XZGJGRZIKGLSJN-IAGOWNOFSA-N 430.505 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(CC)(CC)SC)CC1 1286472538 UKSAOSLVGKOBAS-INIZCTEOSA-N 442.655 1.565 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1286548242 SBWWQPPIRXGPSU-MJGOQNOKSA-N 444.580 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1286785030 CKJZAAPBZFHDSV-UHFFFAOYSA-N 435.463 1.635 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286785213 HPBQYGOVTLXXGS-QGZVFWFLSA-N 437.504 1.358 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCC(OC)CC2)C1 1286807933 HXFCNGMMWBGCHX-RTBURBONSA-N 446.596 1.900 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1286958592 AGLFGSQJZJHVGC-ZACQAIPSSA-N 425.603 1.749 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1288995138 HZVRDWOAUASKRC-GOSISDBHSA-N 435.532 1.823 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)[C@@H]4CCC[C@H]43)C2)C1 1297936526 FCRBMKLVEZTTCG-KVQOCUKLSA-N 437.562 1.951 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1300431443 GTANYWVSSANJFH-HSZRJFAPSA-N 425.533 1.885 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(CC)C(C)C)CC1 1300685421 NHSBFCOBWZZLTG-HSZRJFAPSA-N 432.613 1.804 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300742647 QIKLJZDSLFPSCM-GOSISDBHSA-N 442.589 1.956 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](OCCOC)C1 1300756541 PKHQWPCNWJOSNC-OAHLLOKOSA-N 433.534 1.614 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1300991579 VFCUSJJAVNYIFW-GOSISDBHSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1301491481 KFTCYVQHXVBUQQ-JOCHJYFZSA-N 437.504 1.062 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301577572 LWFDRJSWTFTZLE-SFHVURJKSA-N 447.561 1.196 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)CC1 1307904545 LVTGLZUEDKRTDT-HBMCJLEFSA-N 448.608 1.548 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1316349487 VAMPSEOFACXJNP-KRWDZBQOSA-N 426.506 1.294 30 10 IDEE C=CC[C@]1(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1320699693 NOISYFIBNKGZRE-IFXJQAMLSA-N 430.523 1.179 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nn1 1348456481 VAZIJWITDBSFPK-UHFFFAOYSA-N 433.519 1.006 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1351735299 HZOBHDXUQUNGPM-UHFFFAOYSA-N 431.250 1.770 30 10 IDEE CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1352234948 WKUVXCOWOUEMAX-UHFFFAOYSA-N 447.517 1.709 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC(OC)CC1 1358981570 OVXDVMUUECRXBK-UHFFFAOYSA-N 426.565 1.363 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1359023363 IIRKOOMNEAZDGD-IVZQSRNASA-N 438.488 1.220 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2ccc(OC)cc2C1 1359331007 KFFHVQZKOPZESG-UHFFFAOYSA-N 440.529 1.907 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1359396656 HMONRBGMQZUYBP-SFHVURJKSA-N 437.548 1.882 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@H](CC#N)c2ccccc2)CC1 1360102156 AWMXDTMDLOPOBL-FQEVSTJZSA-N 426.542 1.936 30 10 IDEE N#CCc1cccc2c1CCN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1438173707 ITUYIAUZWLLFLI-UHFFFAOYSA-N 425.510 1.972 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1452477263 OVJVPDWFDNDZJA-CZUORRHYSA-N 445.463 1.490 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2=O)cc1 1462803521 GIMANALFRVFOBK-FQEVSTJZSA-N 445.523 1.929 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(OC)(OC)[C@@H](O)C1 1469327439 CPLYTBHZCGFOCQ-HNNXBMFYSA-N 443.294 1.681 30 10 IDEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1=O 1501014154 KCPCFYFVUUSLHL-UHFFFAOYSA-N 434.508 1.342 30 10 IDEE CCOC1CC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1502937425 CWNXGZZNVXOQAA-KAIODVNGSA-N 445.568 1.095 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[C@H]1C 1504505560 WEWVYAGLFFPWQV-FPDPHYFHSA-N 445.545 1.228 30 10 IDEE COC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CCO1 1504711632 HUVUMQHRGRBNFH-GHTZIAJQSA-N 431.493 1.683 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1505047584 NZMQVENVZXZJRD-IBGZPJMESA-N 447.561 1.883 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1507561353 ATSKFFZUDRJEHQ-UHFFFAOYSA-N 431.518 1.559 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507707403 WGWJETWSYFWTCT-UHFFFAOYSA-N 440.548 1.204 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCOCCS(C)(=O)=O 1507771334 AIQMKGXDUWHGBF-ABSDTBQOSA-N 440.566 1.055 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1507798824 HVSMYVGJKOAPDH-INMHGKMJSA-N 442.486 1.895 30 10 IDEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507957314 FZDWWQUZRDFUAL-QGZVFWFLSA-N 442.520 1.769 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)[C@H](C)C1 1508088159 WYZUZVGPOAAVSW-MRXNPFEDSA-N 448.518 1.606 30 10 IDEE CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508398494 QWJAQDGRJHBRCF-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CC1 1508420478 BMIKGSKDVYBCQF-ILHIWHGASA-N 449.606 1.745 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCCC1 1510189794 HDJWNKUWBNGOBC-WMLDXEAASA-N 427.550 1.205 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)C1 1510306806 UYYHJTBPKDSTMY-QHCPKHFHSA-N 437.548 1.631 30 10 IDEE CC(C)C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 1523980634 QRRDYWQCGOWYGN-BFYDXBDKSA-N 440.504 1.422 30 10 IDEE C=CCn1c(SCC(=O)Nc2[nH]nnc2C(=O)NC)nnc1-c1ccc(Cl)cc1 1528463594 URZBYZOHFXURDN-UHFFFAOYSA-N 432.897 1.993 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC 1539314962 ANGADLKORLCJIK-PMERELPUSA-N 446.602 1.470 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCc2cnn(C)n2)CC1 1539480958 HOUWIWKCJAKRGD-IBGZPJMESA-N 440.552 1.247 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N[C@@H](C)CC)s1 1539555598 WIEDUHCJMWIENP-JSGCOSHPSA-N 431.605 1.571 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1539749967 FMLJEDCSHSBIOZ-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1539750300 KDRYOEXDFGDUDJ-UHFFFAOYSA-N 426.489 1.975 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCO[C@@H]2CCOC2)CC1 1539874002 ITZCDQHEPVRLSV-NVXWUHKLSA-N 427.571 1.486 30 10 IDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1)C1CC1 1540107912 FTEFTUAFLJYOCE-VGSWGCGISA-N 449.552 1.893 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3([C@H]4CCCCO4)CCCO3)CC2)cc1 1540728307 BXKZBQVSFPKEPQ-CTNGQTDRSA-N 433.530 1.509 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2nc(C)no2)CC1 1540861997 OAARONUVMCZQSJ-UHFFFAOYSA-N 444.540 1.574 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 1544463296 VHCGSZHNOYLPDD-UHFFFAOYSA-N 431.537 1.538 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1545088472 IUSZWPBZPWJDNX-UHFFFAOYSA-N 425.420 1.511 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1555720347 RKBOPWUIQLWIKV-INIZCTEOSA-N 428.493 1.757 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)s1 1556738206 ADFYMVGYNYJZDU-KRWDZBQOSA-N 435.571 1.960 30 10 IDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C1CCOCC1 1561770870 OXSHDJVEVUVJII-PMACEKPBSA-N 436.530 1.372 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 1565462016 PIZKAHITGORDOV-UHFFFAOYSA-N 428.518 1.065 30 10 IDEE CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1567401549 NSQROEUZBUCKBX-LJQANCHMSA-N 438.322 1.966 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c1C#N 1567645843 JGRKWTYHYWXMHQ-QFBILLFUSA-N 437.422 1.060 30 10 IDEE COc1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)nc1I 1586254273 KXDKLKOYULLNLT-UHFFFAOYSA-N 425.186 1.545 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1588065026 RQZQRDLEOUIFQQ-WMZOPIPTSA-N 442.545 1.178 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1588385774 KCHOPYOISMWXFR-HNNXBMFYSA-N 438.579 1.192 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1588420583 GZFXCAPAKDSGIA-UHFFFAOYSA-N 434.591 1.102 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCO1 1588628677 MLPWSBCXJKFUFB-INIZCTEOSA-N 432.550 1.503 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1588848679 KVBQFHVVXLUXNT-FQEVSTJZSA-N 440.567 1.732 30 10 IDEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCNS(C)(=O)=O 1602822243 KQLJOTONTWGICR-UHFFFAOYSA-N 449.556 1.678 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1609506729 HIKRBAUDMANSNC-BBWFWOEESA-N 433.557 1.033 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1612877801 FZALRQGDZKUDPA-CQSZACIVSA-N 430.472 1.026 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCc2nccn2C1 1613595060 XIRGNNAMESHLAQ-NVXWUHKLSA-N 426.525 1.384 30 10 IDEE O=C(Nc1nccs1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1616174543 AAMPCCBFFSRZFO-TUHSEXBPSA-N 434.499 1.313 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)C1=O 1618455959 GWYKZCLVXNFGKJ-FZKQIMNGSA-N 448.325 1.253 30 10 IDEE CS[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1620189202 BVDFYLDIZLNHTR-GJZGRUSLSA-N 443.581 1.545 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1)C(=O)OC(C)(C)C 1624583337 CROWQCVWGIAFTH-UHFFFAOYSA-N 432.496 1.779 30 10 IDEE Cc1[nH]nc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1I 1626700222 VWNUKTBFRVVION-CYBMUJFWSA-N 449.252 1.725 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNc2ncnc3sccc23)s1 1627780329 AHPRHCONUSITJX-UHFFFAOYSA-N 437.572 1.988 30 10 IDEE COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1632611463 APOJDHVODCDOEN-HOTGVXAUSA-N 442.541 1.907 30 10 IDEE N#Cc1cn(CCNC(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)c(=O)nc1O 1633549853 BJOXBFYPJWFWNE-FQEVSTJZSA-N 434.452 1.639 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1633898318 ZLTFIAIIYQSYLP-IBGZPJMESA-N 440.456 1.920 30 10 IDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cn1 1636419883 WGNNLKYISSYIDY-GOSISDBHSA-N 430.484 1.603 30 10 IDEE C#CC1(F)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1636906458 CBCDQUBSLVZGHF-UHFFFAOYSA-N 449.548 1.607 30 10 IDEE C#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1639117062 CCFMVYSSQVBKFB-UHFFFAOYSA-N 447.538 1.355 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1641379465 ZLZKJAGEOKKYTC-NWANDNLSSA-N 445.335 1.149 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)c1 1642348812 RWFAXXBCFVFOBO-NRFANRHFSA-N 442.585 1.697 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)c1 1649670076 PDCTYSBNNPJEFN-QGZVFWFLSA-N 448.549 1.087 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1653697776 FEQNAAUQNSORQH-QGZVFWFLSA-N 437.518 1.162 30 10 IDEE C#Cc1ccc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1 1661497681 BWDTYUFLHIGUAZ-UHFFFAOYSA-N 433.555 1.083 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)C2)nc1 1683545245 SQRCTQNTFCTORA-GOSISDBHSA-N 434.456 1.368 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCc4nc(C#N)cs4)CC3)C2=O)n(C)n1 1684392710 DWDMJGPOZDYRQA-MRXNPFEDSA-N 442.549 1.080 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1689831396 KNOPGNPPFAXWDD-BXWFABGCSA-N 445.486 1.651 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1690031499 MXGQHPBTIVIAFC-IBGZPJMESA-N 441.919 1.740 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1690047697 XFPZCQKPGLUVFI-AVRDEDQJSA-N 426.542 1.551 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1690068030 UOYUXKLFYBEYRL-UHFFFAOYSA-N 444.586 1.655 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCCN2C2CC2)CC1 1690110737 XVBGFTMUEZLOEH-NRFANRHFSA-N 441.624 1.969 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)CC1 1690129279 TWLVDHNBHYMHLG-UHFFFAOYSA-N 443.555 1.758 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1690170300 DTKKNVUNVTWYSK-CYBMUJFWSA-N 443.558 1.942 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOCC1 1690251375 UGIPYDJUYKQACY-RXVVDRJESA-N 432.569 1.150 30 10 IDEE C=CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)NC)CC1 1690410138 AYBXPOOVLLUUGL-UHFFFAOYSA-N 443.533 1.546 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1690674973 MAQUJWDSYLCQOK-UHFFFAOYSA-N 445.589 1.769 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1692562675 DNXJOYHLDBRFBM-MRXNPFEDSA-N 443.502 1.848 30 10 IDEE C[C@H]1[C@H](C)CCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1693735332 OMRCGFFIDZILJY-KXMXNUBZSA-N 427.509 1.162 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(C(=O)NC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694036173 KROAPVSHCFDWJV-UXPDKRSESA-N 429.525 1.280 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCC1 1698156109 UUSZIQIRROBAMS-AWEZNQCLSA-N 428.493 1.452 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1698317956 RVBGTWJHLDSHJR-MOPGFXCFSA-N 444.561 1.904 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1705485610 LXMXLHYYLOUXAT-HNNXBMFYSA-N 433.534 1.456 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705568757 UUOUWGOECWBAGD-DLBZAZTESA-N 448.545 1.527 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(O)cc2)n1 1705631462 GESBTMRBJRATHK-HXUWFJFHSA-N 449.515 1.466 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(SC)CCN(C)CC2)CC1 1705653139 ZXPGQIGBQIYOQY-UHFFFAOYSA-N 448.637 1.608 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705664806 BQEZHMQKNKASPS-UTKZUKDTSA-N 435.594 1.777 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705667172 JHGFJDTXOBOWOV-HZPDHXFCSA-N 432.550 1.263 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705907301 HULJVOUTAZFWNK-KRWDZBQOSA-N 440.596 1.753 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(C)=O)nc2)C1 1705914556 OTLGPKNMBSJCDX-GOSISDBHSA-N 439.520 1.697 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705925700 SRFMZYVRBNONFT-RCCFBDPRSA-N 439.582 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)S[C@@H](C)C1 1705939496 YLORREWZTSIOCS-QAETUUGQSA-N 444.623 1.933 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)C1 1712877677 RUMOYAYPANCTIU-KUHUBIRLSA-N 434.497 1.517 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCSc2nccs2)CCO1 1712886637 ZHJCOHRBZUXZIA-CQSZACIVSA-N 433.563 1.768 30 10 IDEE C#CCCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1722323833 XOOJOZIJJGIGJE-JOCHJYFZSA-N 441.536 1.320 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1722363591 GONPMNZKWFBYNW-GHTZIAJQSA-N 438.594 1.993 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1722369368 YHJLQXRLUIEQPE-GOSISDBHSA-N 439.545 1.480 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1722413964 UEHQYGQOHNRUSN-IEBWSBKVSA-N 447.561 1.538 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 1722442266 RCXXTMOLOFNXLS-FQEVSTJZSA-N 429.496 1.557 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1722503296 CCWOSQNKXPTMDF-NSHGMRRFSA-N 438.532 1.946 30 10 IDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1722608023 QUEDTEPMQURCGY-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1722690337 IELYALBRNTXKEI-INIZCTEOSA-N 428.585 1.766 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCNC(=O)CC1 1722694604 BFNBZBXJCDMJSQ-UHFFFAOYSA-N 442.520 1.371 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722739839 XSFIVFTWOLBMSL-HOTGVXAUSA-N 434.566 1.468 30 10 IDEE CC(C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723188111 ZIMDSPQKZYRKBF-VZCXRCSSSA-N 443.552 1.229 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1729740924 DJTGDPYHTWVOEL-IBGZPJMESA-N 444.561 1.761 30 10 IDEE COCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1730704462 YOBBXPLBTYBEFT-CVEARBPZSA-N 436.513 1.352 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1CC1CCN(C(C)=O)CC1 1730763234 CZCOYNPCEBFDBK-UHFFFAOYSA-N 425.537 1.889 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1c(O)nc2ccccc21 1730875267 KXCWDHCMAXROOY-CVEARBPZSA-N 441.492 1.486 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCC(=O)NC)c1 1740563556 VBVZWCIZFITHCU-UHFFFAOYSA-N 431.500 1.841 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1740618475 IIBQQZVVSROEIF-OALUTQOASA-N 443.529 1.105 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1740619899 ASLCWLAHFAFHME-AWEZNQCLSA-N 447.471 1.607 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740875715 IHWJVHOIEIJYQJ-QGZVFWFLSA-N 436.582 1.484 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1741003531 WKQNLEDMMBGUMW-VFNWGFHPSA-N 448.593 1.906 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(C)(=O)=O)CC1 1741988663 UCROMANLKYQYLP-UHFFFAOYSA-N 438.504 1.826 30 10 IDEE CC[C@H]1CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O 1744924065 LKHWCAFPHKLKSK-DDZZRTFJSA-N 444.536 1.907 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1747441529 KDHLNVZHKPXPPK-YJBOKZPZSA-N 432.550 1.617 30 10 IDEE CN(C)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747531372 QBXVCNJQXVQSND-AWEZNQCLSA-N 425.493 1.185 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1748671212 GYGQDEJELDBQCS-JKSUJKDBSA-N 434.541 1.569 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCN(C)C 1748671980 OUBCUBUQSIIOHA-SFHVURJKSA-N 426.569 1.488 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748721099 CZZATKRFAWVCEO-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1748811890 NJCNVYUOTPISLP-HNNXBMFYSA-N 427.490 1.015 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748814445 GGWCSUVNFVOCSL-RBUKOAKNSA-N 442.589 1.760 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1749023027 OXKIZXLJCNUADW-RDJZCZTQSA-N 441.623 1.508 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1749272027 HMEGJVYKBDPBKW-UHFFFAOYSA-N 432.956 1.888 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749669886 LRUAXHCFMBVJPN-MRXNPFEDSA-N 430.488 1.078 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3CCCCCO)CC2)c1C#N 1751828037 QGCQCABIJLTZDW-UHFFFAOYSA-N 449.563 1.667 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1752422200 SJSKTMJONFXILV-LQWHRVPQSA-N 440.548 1.657 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC=CCO2)c1 1760128656 OROBAMOZHTWWQN-MOPGFXCFSA-N 434.500 1.631 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC(C)(F)F)CC2)c1C#N 1762399881 GIEXWNXPJSULHU-HNNXBMFYSA-N 447.494 1.515 30 10 IDEE C[C@@H]1OCC[C@]12CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)CCO2 1763274482 LVGKVRAMERWVTO-HDAQVJCVSA-N 444.536 1.486 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1765578202 CQPCVBPKFDHSMN-HUUCEWRRSA-N 434.504 1.549 30 10 IDEE CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1766295450 DXQSHVGDQJEZQK-OXJNMPFZSA-N 448.524 1.854 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1766879946 DYWWBDJVZFFSEM-SFHVURJKSA-N 439.589 1.780 30 10 IDEE CCN1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C2)CC1 1767136371 FOIRYGVFGQYBFG-QGZVFWFLSA-N 440.552 1.145 30 10 IDEE COCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1771027475 YTAIXTHPCFITBS-MRXNPFEDSA-N 440.570 1.168 30 10 IDEE N#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850808000 FYCFYRXLFKMGKC-QGZVFWFLSA-N 428.917 1.690 30 10 IDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)c1 1853952963 MSNNHONASRNJLK-MRXNPFEDSA-N 427.482 1.694 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1854249129 LDFJYDKWISFKCE-ROUUACIJSA-N 436.509 1.342 30 10 IDEE CC[C@H](C)CC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854321755 PTJRAHVQMRWZTJ-WMZOPIPTSA-N 432.546 1.428 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCC(N(C)C)CC1 1870499061 BYQXGSURHLGTBH-UHFFFAOYSA-N 425.533 1.973 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc3c(c2)OCCO3)CC1=O 1874337163 FYFXCCVXHGLAAP-BMZJSHLCSA-N 444.517 1.233 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 1891049438 GTVLNXNANZHALZ-UHFFFAOYSA-N 430.505 1.232 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212241027 VWPZXZJIROZYCX-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248433087 FNUWWGNJRQHGOG-ZDUSSCGKSA-N 436.343 1.725 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255694926 WASOUMGHBXNXGI-CQSZACIVSA-N 430.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255705844 AOJNZHLBDQAEFG-UHFFFAOYSA-N 436.314 1.681 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267266963 SXDNKTBYZGQNCH-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267291229 NCKOEDMHLNDQQE-MRXNPFEDSA-N 448.373 1.595 30 10 IDEE C[C@@H]1C[C@@H](N(C)C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267553158 XWSKTNNRKQAHLL-SJLPKXTDSA-N 439.369 1.849 30 10 IDEE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282319055 OBPMVLVTTLQCBX-MNOVXSKESA-N 438.833 1.682 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](CO)CC(F)F)cc2Cl)OC1(C)C 2282837887 YANCGBISKBJGOT-MRVPVSSYSA-N 431.719 1.995 30 10 IDEE CCn1c(=O)c(C(=O)CN(C)Cc2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 26324153 TZHWMIWWAHUGNK-UHFFFAOYSA-N 431.496 1.847 30 10 IDEE O=C(/C=C\c1c(O)[nH]c2ncccc2c1=O)C(=O)/C=C/c1c(O)[nH]c2ncccc2c1=O 83327617 SDTJLCPHTHNMLD-CGXWXWIYSA-N 430.376 1.436 30 10 IDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c1=O 101455727 JCCSIAGNKJJXLW-CQSZACIVSA-N 444.444 1.152 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 105269488 UCZOKAICQSZGFA-UHFFFAOYSA-N 448.589 1.167 30 10 IDEE C[C@@H](C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1)n1cnc(C#N)n1 409450884 AVARECBISSDDEM-INIZCTEOSA-N 445.487 1.031 30 10 IDEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)cn1C 433504652 YVZYJILJWPWEEQ-UHFFFAOYSA-N 432.502 1.957 30 10 IDEE COc1cc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(OC)c1O 436273758 KKSJICATWRVYOB-UHFFFAOYSA-N 445.497 1.357 30 10 IDEE Cc1ccn(-c2ccccc2CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)n1 460717236 FTVRBPIXHDWNQO-UHFFFAOYSA-N 440.467 2.196 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2noc(C(C)(C)C)n2)CC1 460789596 KJLKVXSBNTXFDL-MRXNPFEDSA-N 431.541 1.945 30 10 IDEE C=C(C)Cn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CCNC(=O)CC1 460962876 WZROIXNSOLIYNB-UHFFFAOYSA-N 437.592 1.807 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nccn(C)c3=O)CC2)n(-c2ccccc2)c1C 467167324 BMZVABRNOLJKJD-UHFFFAOYSA-N 445.527 1.820 30 10 IDEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(c2oc(C)nc2C#N)CC1 477611002 KJSLJMJQILZPQJ-UHFFFAOYSA-N 429.502 1.569 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)c1 482101773 GILQLRUPBSNVGE-HNNXBMFYSA-N 426.498 1.679 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 486525862 KFAFXRNTIPJXSR-UHFFFAOYSA-N 430.555 1.907 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 497576988 XHAHPDZSMBQJBS-UHFFFAOYSA-N 426.498 1.620 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508841026 OBNBBEDRKKPGLW-CQSZACIVSA-N 428.518 1.249 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508995352 BWONVATYZWVUTF-INIZCTEOSA-N 444.561 1.531 30 10 IDEE Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 524891536 TUFNHSPRWIGPIR-UHFFFAOYSA-N 441.556 1.428 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nc4c(s3)CCCC4)CC2)cc1 533480261 FSXRBDDDBQFCLK-UHFFFAOYSA-N 445.570 1.839 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c1 535230797 MPMHHDCIPNKHDA-YOFSQIOKSA-N 432.590 1.534 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 540972405 VSCOJCSYXCOVSF-HNNXBMFYSA-N 441.536 1.981 30 10 IDEE N#Cc1ccnc(N2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)CC2)c1 542751503 RIFHAMXRLTUEJH-UHFFFAOYSA-N 437.525 1.690 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 549288585 XWZNFLRIOPWUGX-IRXDYDNUSA-N 431.541 1.976 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 558995690 IVZVMFVSNZABHI-SFHVURJKSA-N 447.609 1.429 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 572446389 RSCMPYCRFHDVRF-UHFFFAOYSA-N 440.577 1.901 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cc1 603800462 WJAKSFRVTIIETK-GOSISDBHSA-N 439.537 1.223 30 10 IDEE COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609257070 RCOVBQZGIDKYNB-CYBMUJFWSA-N 448.476 1.265 30 10 IDEE C=CCOCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 679517834 JVISKQXLPFSFLJ-UHFFFAOYSA-N 437.562 1.630 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 733149882 WJMMQLFLTLJJFL-UFYCRDLUSA-N 446.592 1.838 30 10 IDEE CCS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(F)cc1 747598644 CMNSRRAFZJOZDX-AWEZNQCLSA-N 430.527 1.223 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 755205111 XMKPWQCSVUZDLC-MRCUWXFGSA-N 446.529 1.145 30 10 IDEE CCCC[C@@H](ON=C(C)C)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 758542039 LDIQYVZXKIIUMN-GOSISDBHSA-N 439.534 1.918 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 763785194 SVDSJHIIPHUWDV-WMZOPIPTSA-N 433.486 1.436 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 767681452 WPVZYKAWIUOUQY-HNNXBMFYSA-N 440.481 1.405 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1NC(=O)CCN(C)C 768154410 OBRYMBILPJSUKF-GOSISDBHSA-N 426.521 1.023 30 10 IDEE N#C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCN1C1CC1 775219212 GAQZHXANNFBTLS-SJORKVTESA-N 432.322 1.936 30 10 IDEE C=CCOC(=O)N1CCC(OC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 790841562 UHRHEORKOXREPW-UHFFFAOYSA-N 431.493 1.236 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCC3)CC(=O)N2C(C)(C)C)cn1 796824116 OQZMHYUDHOGEHM-NVXWUHKLSA-N 435.550 1.638 30 10 IDEE C[C@@H](C(=O)NS(=O)(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1)n1cnc(C#N)n1 798834976 RHBUDYHDCUUIKZ-JTQLQIEISA-N 439.379 1.420 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1=O 804670772 CEYKJFKWUXCTBV-ROUUACIJSA-N 444.532 1.614 30 10 IDEE CN(C)c1cc(C#N)cc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)c1 815442994 FQKVMVRBSCQRAC-UHFFFAOYSA-N 443.309 1.279 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 915873277 CJMCSWRWDGJJRO-XSGYAIRBSA-N 436.559 1.892 30 10 IDEE C[C@H]1Cc2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)ccc2N1S(C)(=O)=O 916178685 KKXRNMAGWLIZOT-ZDUSSCGKSA-N 433.511 1.529 30 10 IDEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 916775450 VBYPZHHDSIUVAY-UHFFFAOYSA-N 435.527 1.847 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCS2(=O)=O)c1 1125175572 FWDAKOOKPGWOBG-TXCMAPRMSA-N 427.548 1.795 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 1143100924 BJNYZSRMFXRJJS-INIZCTEOSA-N 428.514 1.180 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 1194059782 FHYFPHWZVJCJAQ-UHFFFAOYSA-N 440.587 1.790 30 10 IDEE CC(C)(CC#N)CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1251777455 QOMOLDTUBDDUAO-UHFFFAOYSA-N 428.278 1.853 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@](C)(O)CC)CC1 1286473483 MOAOSRIXEHSEFX-QHCPKHFHSA-N 443.548 1.887 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2OC)CC1 1286479891 PKXZOXMOHCUWLW-IBGZPJMESA-N 438.532 1.244 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccccc2)CC1 1286484299 HYWUOEPUHOLABG-DEOSSOPVSA-N 433.560 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1286488827 VJSLZWCKJOCBMY-DHIUTWEWSA-N 447.580 1.303 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286790216 KXBFORUIQCDBHD-LJQANCHMSA-N 438.532 1.151 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1286791477 TZDKLZLYKKBUQQ-NRFANRHFSA-N 433.459 1.445 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)Nc1ccccn1 1286793352 CSQHOFDKKYFTNR-ZDUSSCGKSA-N 443.418 1.748 30 10 IDEE CC(=O)N1CCN(CCn2c(COc3ccc(F)cc3)nnc2N(C)[C@H](C)CC#N)CC1 1286888862 ATYYLQYDJAYJFF-QGZVFWFLSA-N 443.527 1.899 30 10 IDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1287423964 OUIVAVPXANFRTO-KRWDZBQOSA-N 436.530 1.403 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1288528644 APBLKKLSXBFFSF-HIFRSBDPSA-N 429.550 1.923 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1289085128 IKYUYSIXXLHNBM-IRXDYDNUSA-N 428.493 1.970 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(S(=O)(=O)NC)s3)n[nH]2)c1C 1290626667 KJQYRNKIASGTAI-UHFFFAOYSA-N 434.547 1.976 30 10 IDEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)s1 1292797774 HOCPRUVEZZSKQI-AWEZNQCLSA-N 438.517 1.503 30 10 IDEE CCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1293819482 BMDBKTGSRLHHFN-GCJKJVERSA-N 440.552 1.732 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1295173878 HVROOCVDXUKQEE-GOSISDBHSA-N 444.561 1.602 30 10 IDEE C#CC[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1)C(=O)OC 1299179318 XFHYOANBZCXZDZ-UQBPGWFLSA-N 445.475 1.847 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1300272520 NGURCZDUUSIHKC-GJZGRUSLSA-N 442.549 1.284 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300494993 AYKOEWYQAIVERY-VQTJNVASSA-N 428.558 1.960 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1)C1CC1 1301326633 DLHBVKXXTXRDHF-QGZVFWFLSA-N 436.513 1.348 30 10 IDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCCS1(=O)=O)C1CC1 1301333798 BITORXQFVGAROO-RDJZCZTQSA-N 425.555 1.192 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nncn2-c2ccccc2)C1 1301535460 LDAKJYPOEBHAOA-GOSISDBHSA-N 436.520 1.827 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1301953391 RCRXBEXMGXNWKI-DLBZAZTESA-N 448.535 1.924 30 10 IDEE CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1305293728 KYVUJQWVSSDQRK-RTWAWAEBSA-N 429.546 1.993 30 10 IDEE COc1ccc(NC(=O)Cn2cc(C)cc(C#N)c2=O)cc1S(=O)(=O)N1CCCCC1 1307356587 IDJZZZFCHGMHQQ-UHFFFAOYSA-N 444.513 1.850 30 10 IDEE C#CCOc1ccccc1CNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 1312003853 QXOKBSNBZKKTBO-UHFFFAOYSA-N 444.509 1.786 30 10 IDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 1354360264 IEAYYKQTPPEJCP-DRHFFQLASA-N 437.518 1.796 30 10 IDEE Cn1nc2c(c1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)CS(=O)(=O)CC2 1358034972 IQAFALYNPVQQPT-CQSZACIVSA-N 428.392 1.784 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1358912890 AHUDKKTXJIAKJV-QZTJIDSGSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358962067 JSHDZVZGLTVEFE-QZTJIDSGSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccco1 1358971950 OJRUXTWGJNKFJS-JOCHJYFZSA-N 438.509 1.922 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccc(CS(C)(=O)=O)c1 1359022228 RXHWKOWITZPDHZ-UHFFFAOYSA-N 441.557 1.963 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1359300652 HNQUSDXPAQQLPB-HKUYNNGSSA-N 440.548 1.740 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359302020 UQIJMUPJOHDMHW-UHFFFAOYSA-N 442.568 1.159 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1 1359302937 YOXFQEBEZHBNIH-UHFFFAOYSA-N 427.553 1.113 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359624524 BSAGRQSAEJWXHF-UZYVYHOESA-N 441.536 1.423 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCCC2)CCOC1 1360348040 RKCAQGFOVGBYQK-PGRDOPGGSA-N 432.569 1.922 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)CCCOC1 1450467677 FVXFUHAZXJUUJH-QFIPXVFZSA-N 429.521 1.923 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC)cc2)c1 1454800460 WXRLBPIGMFXRNF-UHFFFAOYSA-N 434.539 1.364 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 1460027766 OWHLYGIMKTZQGS-OAHLLOKOSA-N 425.441 1.381 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1463091449 YEYMMKFWENTCRI-OAQYLSRUSA-N 427.457 1.327 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 1471485260 DSMFZIIFDBXIPC-XIRDDKMYSA-N 429.502 1.521 30 10 IDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 1475292433 ALPGKIMIZNZKOB-UHFFFAOYSA-N 448.270 1.155 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 1476553264 OEWNDRKVYZEIJY-UHFFFAOYSA-N 437.522 1.490 30 10 IDEE CCCN1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1501021848 MYBGUVQSQKREHK-CZIZESTLSA-N 427.509 1.131 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCCOC2)C1 1505144940 XFZLLVHPMJTSPO-OAQYLSRUSA-N 444.561 1.763 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1505145334 NRCMHYLSVNIIHX-MSOLQXFVSA-N 437.529 1.633 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1507538907 PYTFKPXZYUDDHT-IEBWSBKVSA-N 443.573 1.523 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507562390 XBSXIDQBBVDRGO-KGLIPLIRSA-N 426.443 1.538 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507630592 CUBZBMFQBOFPGA-INIZCTEOSA-N 426.477 1.549 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@]2(O)CCN(C)C2)n1 1507717817 ZEDORFVITYMKAM-JOCHJYFZSA-N 427.553 1.095 30 10 IDEE C#CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507758643 RIHFIWFOMIJDJY-CSODHUTKSA-N 433.578 1.400 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(F)F)C1 1508074022 NMMHZMZJVRNJJV-HNNXBMFYSA-N 443.462 1.705 30 10 IDEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1510102973 DGWBMEVIHDFQLF-QZTJIDSGSA-N 446.563 1.591 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CCN1CCOC 1514376220 FBHZKAAJMIHAAL-HXUWFJFHSA-N 449.563 1.931 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1517243213 GTFIMWOIPULMOJ-QFIPXVFZSA-N 427.505 1.803 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1OC 1518129577 FWDNOGWJCCUJEI-OREJSRFESA-N 431.468 1.944 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@H](C)O1 1518920077 ZNRWPLHOAPWSAU-VDGAXYAQSA-N 427.505 1.862 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1519051712 APWYLDJTAOGHRM-RBUKOAKNSA-N 440.504 1.899 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1519529906 JSTUATUTFMJQAD-UHFFFAOYSA-N 435.525 1.809 30 10 IDEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1520560947 XJOZQSHDUPEAKP-QAPCUYQASA-N 442.611 1.494 30 10 IDEE COc1ccc(C(=O)N2Cc3cccc(C#N)c3C2)cc1S(=O)(=O)N1CCOCC1 1527170847 ONTGBUZWKIFMJG-UHFFFAOYSA-N 427.482 1.744 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1539021542 CTWNQJVNHKKQOC-SFHVURJKSA-N 425.533 1.779 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1539085872 SJDLACGOLZIGQT-BURNTYAHSA-N 431.581 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1539296822 UQUUDEDCADNUGU-CQSZACIVSA-N 443.558 1.404 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)N(C)C)CC1 1539482328 LGQODQJHPSOBMN-UHFFFAOYSA-N 436.560 1.621 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1539513937 SVLPJVGGDXWXKN-UHFFFAOYSA-N 428.566 1.429 30 10 IDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539729768 SDAWSONUJRCWGT-UHFFFAOYSA-N 442.564 1.757 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C)C1CC1 1540108656 KVKMNRPIUQVIEV-SJORKVTESA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1540874903 VNTODVQPZVEASI-KRWDZBQOSA-N 426.521 1.478 30 10 IDEE CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)C1 1541907645 BCODQZFZNFYGQN-ULQDDVLXSA-N 425.603 1.747 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555426854 NSEGWXHQJGMDKY-GCJKJVERSA-N 442.520 1.842 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)Nc1c(C)cccc1C 1555671657 RMBNENTZPKPOQU-ROUUACIJSA-N 442.520 1.986 30 10 IDEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CC1 1555818624 CMOUILXNZWYFDC-SSEXGKCCSA-N 427.534 1.967 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(CC(F)F)C1 1557065814 WMXQHFXUFUDPFQ-AWEZNQCLSA-N 428.505 1.741 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C(=O)N3CCOCC3)CCCCC2)c1 1562015105 FICCJQOKMMSFMQ-UHFFFAOYSA-N 435.546 1.442 30 10 IDEE C#CC1(F)CN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1564117330 NDTDXFICAYHKIO-UHFFFAOYSA-N 425.482 1.224 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC 1584770481 BGRXEQOZRGWCGG-QGZVFWFLSA-N 446.573 1.880 30 10 IDEE CCn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnc1-c1cccc(C)c1 1585131670 BCOCYUTZYKJWRF-JXFKEZNVSA-N 445.570 1.762 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1587524205 DLNIVDQJOSWRTP-PMPSAXMXSA-N 439.509 1.917 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOC(C)C)CC1 1588890877 HLIHHUCNDHTKSO-JOCHJYFZSA-N 433.553 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@@H]2C)CC1 1588961789 MGAASYFDJOMYCI-PKOBYXMFSA-N 442.564 1.039 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1589070086 QJYHCGQDMFRWKK-OAGGEKHMSA-N 439.607 1.070 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1589662860 CPPSETHCYDTXMY-QGZVFWFLSA-N 434.522 1.526 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@@H]1C 1593764106 XXACQDTWKSUAHL-HNNXBMFYSA-N 432.550 1.529 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 1595791198 XGHFKXZMFLVLFH-MRXNPFEDSA-N 425.501 1.579 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3COC4(CCOCC4)O3)C2)C1 1597892440 HCWODMKQYPFLJJ-JWRWLIQVSA-N 435.521 1.812 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1598136849 GPDKDUVGWYDFSL-FQEVSTJZSA-N 448.531 1.900 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1609975810 UPTZXBZWHNZRKY-IGGDJGDASA-N 445.524 1.007 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1612486754 PSSZPANXQMJGFA-MUDLRCDJSA-N 438.536 1.758 30 10 IDEE CC[C@@H](C)[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613098550 DQMQOENSBLMPSW-PEBXRYMYSA-N 441.536 1.748 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)CC1 1617253281 IEWHEIQIPNIDMO-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)n[nH]2)c1C 1618761746 QKBFPJQTQZWRDL-UHFFFAOYSA-N 425.537 1.456 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1622518668 JBAKLOPFODXBFW-GDBMZVCRSA-N 435.477 1.858 30 10 IDEE N#Cc1cn(CCC(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(=O)nc1O 1623808440 CFIDJRBPLKQUCM-IBGZPJMESA-N 437.500 1.341 30 10 IDEE C[C@H]1CN([C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)c2c(F)cccc2Cl)CCO1 1624769211 CNROFUHDUYARFL-BLLLJJGKSA-N 449.870 1.191 30 10 IDEE Cc1onc(CC(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1629783742 JCIDVYDWXCPOMQ-UHFFFAOYSA-N 446.508 1.214 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C2 1632704214 XLHVLQUGUVQTTH-SFHVURJKSA-N 445.566 1.910 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 1637567237 HCGLBSRHIIFHCX-UHFFFAOYSA-N 430.461 1.307 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)n2ncc(C#N)c2N)c1 1641560990 VKDKKICLOSCQIH-UHFFFAOYSA-N 426.296 1.865 30 10 IDEE Cc1nsc(N2CCN(C(=O)C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1641802072 RWEAUECJHBNIKA-FQEVSTJZSA-N 435.550 1.734 30 10 IDEE CC(C)(CCN1CCOCC1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1641967543 DPUOWGZDXXPBLO-SFHVURJKSA-N 427.505 1.380 30 10 IDEE COc1ccccc1[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 1642721081 FVHZNMMRXAEOEA-MGPUTAFESA-N 429.498 1.834 30 10 IDEE C#C[C@@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 1643574973 YFYPRLNJOFQHPE-UXHICEINSA-N 427.526 1.707 30 10 IDEE C[C@H](CC(=O)N1CCOC[C@@H]1CC1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1653303771 CSLQULIJYQBPDB-WBVHZDCISA-N 435.546 1.548 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1668220361 QHIWZJKWGYYEDJ-LJQANCHMSA-N 428.576 1.620 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OCC 1669268177 VWCRRHAOFPEDIX-KRWDZBQOSA-N 430.548 1.647 30 10 IDEE C#C[C@H](NC(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccc(Br)cc1 1684022191 CLWWFBZRPMKYTJ-KRWDZBQOSA-N 442.379 1.932 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1c(C)nc2ccccc21 1689966597 WPRJMVMMAKVJOF-QGZVFWFLSA-N 426.546 1.998 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1690103206 AWQUDYOYVQCYBB-PKOBYXMFSA-N 435.594 1.283 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)CN2CCOCC2)CC1 1690128785 JUEAOWKQQYOCEY-LJQANCHMSA-N 428.606 1.654 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1690146412 NCDGQMXQPAMHQM-KRWDZBQOSA-N 440.552 1.143 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCNC(=O)c2cccc(O)c2)CC1 1690148422 GNLFAZVDQXMAEH-UHFFFAOYSA-N 438.532 1.332 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690419159 JCUUKWFWHIDGNE-MRXNPFEDSA-N 444.584 1.861 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690670056 XOSABSOGGUQALI-KRWDZBQOSA-N 436.582 1.242 30 10 IDEE Cc1n[nH]cc1CCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1692919713 VVCJHIDOCGDRKX-GHTZIAJQSA-N 429.525 1.712 30 10 IDEE CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1Cc1ccc(C#N)o1 1694743767 HGAZCOHXVYJDLM-QGZVFWFLSA-N 425.537 1.876 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1695867417 APHAOMKKXIWXSS-CVDCTZTESA-N 442.612 1.670 30 10 IDEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1698424157 GNHUTBKKSWBWKD-LJQANCHMSA-N 435.575 1.556 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1705476862 GGNRATVPJFAGTM-KGLIPLIRSA-N 428.559 1.261 30 10 IDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1705531883 ZXBSLGMGCTZWBG-UHFFFAOYSA-N 433.516 1.757 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1705582628 FWRMLIMCGPKCFB-IBGZPJMESA-N 442.541 1.327 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705598759 QDHFYYOJCGAFHQ-NHCUHLMSSA-N 440.592 1.578 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1705599302 KEMVJIZUSALYMD-SFHVURJKSA-N 434.500 1.329 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)C 1705626716 GPXMOUHFJIZNKW-UHFFFAOYSA-N 437.504 1.452 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCn2cc(Br)cn2)CC1 1705638323 GREVCBNCCQKKLC-UHFFFAOYSA-N 442.325 1.150 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCN2CCCC)CC1 1705642508 WGUNUKMLNJLRCZ-NRFANRHFSA-N 441.624 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1705649453 YEHOGFVLLWAOMN-QUCCMNQESA-N 437.548 1.626 30 10 IDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1705739521 JILCYNJJDDKMDH-LJQANCHMSA-N 443.548 1.979 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1705820014 YVMDUFLZPKAYQQ-MRXNPFEDSA-N 429.587 1.829 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705877639 CBSMSSXOHLHUCS-UGKGYDQZSA-N 446.573 1.567 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1706218208 ABHSSWVAIWBJIV-GOSISDBHSA-N 433.520 1.735 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1710688826 JTRAYPAAQCUCNE-MDZRGWNJSA-N 440.545 1.461 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1NC(=O)CC1(C)C 1711074098 TWGMQWHEAYMCIK-GOSISDBHSA-N 435.532 1.823 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCS(=O)(=O)C1 1712630512 USONSHAIUGXBDU-SQNIBIBYSA-N 437.566 1.567 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1712694987 FZOPKKMRKYHDHF-GOSISDBHSA-N 438.513 1.662 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCCC2=O)CCO1 1712882434 BQOIFYGPVWYSOZ-QGZVFWFLSA-N 429.525 1.036 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](COC)C1 1722325647 AZTXDRGMPFSFIB-QGZVFWFLSA-N 446.577 1.812 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)CC 1722375779 HACCLTXTWOLMIH-UHFFFAOYSA-N 439.339 1.048 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCCNC(C)=O 1722422153 MLLMOOBVXPEJLX-UHFFFAOYSA-N 426.496 1.706 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCNS(=O)(=O)CC)CC1 1722439580 HXSXQRWIACMSGB-UHFFFAOYSA-N 436.607 1.015 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2c(CC)nn(C)c2OC)CC1 1722439627 JGMRYPIMLSMSIN-UHFFFAOYSA-N 434.548 1.372 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(SC)CC2)CC1 1722443676 MCHRFJNETDZALX-QFIPXVFZSA-N 447.605 1.792 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1722582307 HFDSUTUGMXGQKZ-LSDHHAIUSA-N 426.587 1.453 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1722672627 VKRRQYXAEPHASN-LJQANCHMSA-N 443.573 1.961 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1722687827 MKHLEWZRLVIRSE-UHFFFAOYSA-N 426.525 1.856 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722700763 TUZKPMOOZYBTEV-UHFFFAOYSA-N 444.499 1.851 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1722865014 CLRBLEBEYYNEBX-OAHLLOKOSA-N 441.517 1.813 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCOC)c2ccccc2c1=O 1728643687 QEFDOLMTXYISOL-MRXNPFEDSA-N 437.504 1.830 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1 1729220333 ZZTKMVAGQXXNDX-HXUWFJFHSA-N 431.566 1.723 30 10 IDEE COC[C@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730550999 IDHVXTBEEURMNN-SZLLDUCCSA-N 444.536 1.909 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740682223 NVKLMTAEAJLMID-NRFANRHFSA-N 444.513 1.327 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)COC)CC1 1740704511 RDERSQIVMHALGC-INIZCTEOSA-N 439.516 1.922 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCC[C@H]2C)CC1 1740704910 VZOXPVXOFVREKH-OPAMFIHVSA-N 425.537 1.196 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1740708941 GKSMOAIJDNDEFY-HOTGVXAUSA-N 429.612 1.508 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1740733283 AUDJSHJJNJFOOF-HXUWFJFHSA-N 446.577 1.072 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740791448 HKPJVIFIOZPAAC-OAQYLSRUSA-N 440.508 1.142 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1740951413 YRVJNXOHBVTMEO-KRWDZBQOSA-N 428.541 1.373 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740959801 FEWAOIMWLDUHRM-HNNXBMFYSA-N 446.581 1.215 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)C)CC1 1740986269 UYXIUHMICMFPNM-UHFFFAOYSA-N 438.598 1.082 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740992624 SAEFECNCXUNIQD-QZTJIDSGSA-N 434.566 1.729 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1740996898 SLUAKEMXECUBCZ-HOTGVXAUSA-N 428.628 1.482 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1741003624 YQXYAOKUDXEALF-JKSUJKDBSA-N 429.612 1.767 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741984102 HGHUZZDXXBTLPN-VQTJNVASSA-N 433.509 1.764 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748740636 RZMLVYRQNFQODW-CRAIPNDOSA-N 428.489 1.736 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1748790528 ISPKKCQLBGFYCU-LJQANCHMSA-N 443.529 1.669 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1748811167 COAVKWLACPTOFM-HNNXBMFYSA-N 441.517 1.155 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CC(OCC)C2)CC1 1748972971 TWRUUFABSKNPKK-UHFFFAOYSA-N 437.548 1.886 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)NCCC)CC1 1749000041 KXVJALKLEVHUJT-UHFFFAOYSA-N 428.512 1.668 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1749489145 RORXFNVHLJLEJG-KGLIPLIRSA-N 431.509 1.669 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCO1 1749575761 CLPOUOQTMZLEFF-KNQAVFIVSA-N 443.504 1.386 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCC2)C1 1750510216 MWNJXSAAGOTJOH-OWCLPIDISA-N 432.525 1.693 30 10 IDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1750752127 RMOAGUPICJMBIE-RTWAWAEBSA-N 429.613 1.890 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)c1 1751397515 CVVRWPORZVNNNG-KRWDZBQOSA-N 434.566 1.961 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1752362389 RICKNTKTUUCHRS-UZAQASBGSA-N 432.550 1.639 30 10 IDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1752541219 SNCOTIRCPLSRTB-CDMIOBSGSA-N 443.504 1.250 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccnc1C 1760111641 QAQKLNCEMJTWBB-HNNXBMFYSA-N 428.500 1.991 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1760117790 UAYHHDPTRYMRFV-LEAZDLGRSA-N 443.573 1.873 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCCN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1760184920 ZYCQKGSEJISBRC-MOPGFXCFSA-N 437.610 1.265 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1760188748 CTPUABRTOQYZNY-KRWDZBQOSA-N 442.570 1.704 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(OC)c1)N(C)C 1760206816 NSHYNSWPNRQDME-OAQYLSRUSA-N 434.544 1.785 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1760211141 BZDUBUYUKSSRJX-QHCPKHFHSA-N 446.515 1.417 30 10 IDEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O 1760278056 KMBAWHKHZYNUJB-UHFFFAOYSA-N 427.983 1.950 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760278086 LETGUSGAVWXWQE-KRWDZBQOSA-N 439.545 1.473 30 10 IDEE C=C(Br)Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1760313643 CMDMNXWDZQYEPV-SFHVURJKSA-N 442.358 1.801 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760339503 KRIOZHGMZVWWBC-SFHVURJKSA-N 425.580 1.586 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1760345237 OVBPICFFBIRIPT-IRXDYDNUSA-N 436.582 1.636 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760445755 VAWGGASFZWZHBZ-OAQYLSRUSA-N 425.493 1.377 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760518671 YUDKCEGTEKSDSF-OAHLLOKOSA-N 444.923 1.720 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760519791 PSEFTUJWVHEAQE-UHFFFAOYSA-N 446.577 1.464 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760520280 IVMLBUBQGUEETL-KRWDZBQOSA-N 433.520 1.538 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760520537 RDYKYJUSCUZCKP-HNNXBMFYSA-N 435.525 1.790 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760525578 KKNPELDCTANTBV-SFHVURJKSA-N 439.564 1.256 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCOC1 1761221806 TXYFGEIGDNLAMD-AWEZNQCLSA-N 425.493 1.378 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1761356404 GLERNDWQRSMYNJ-MRXNPFEDSA-N 445.549 1.231 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1764908922 BOAKXMPGZADZHM-SFHVURJKSA-N 439.568 1.339 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC(F)(F)CO1 1766408622 HXFAUJVZBZJEIA-CABCVRRESA-N 448.478 1.616 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(C)C)CCOC1 1767472175 CTNUBIJFGLJZAX-JOCHJYFZSA-N 442.568 1.826 30 10 IDEE COc1ccncc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769012541 RGCCURSQVZDQGT-UWJYYQICSA-N 428.493 1.499 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@@H]2C)CC1=O 1769899869 GQJOSFHHDOGYBL-SBUREZEXSA-N 438.532 1.663 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1770636729 OZUIQCCRYDSGFV-QTIQAUKSSA-N 437.504 1.728 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@@H]1F 1771497033 XMFBCJWEFTZEQA-QAPCUYQASA-N 448.524 1.558 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCOC3)n1CCOCCCO)C2 1771532109 PNVIYOBZRMCKSL-OAHLLOKOSA-N 428.493 1.106 30 10 IDEE Cc1ccn(-c2cc(N3CCN(C(=O)Cc4cc5c(cc4C#N)OCO5)CC3)ncn2)n1 1852654034 YOQHTFOGEKGKOS-UHFFFAOYSA-N 431.456 1.462 30 10 IDEE Cc1nc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c(C#N)c(C)c1Br 1853346080 XSXHBXWBUQMAEF-UHFFFAOYSA-N 441.293 1.733 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858334854 KEQMPSKYFFOOML-QGZVFWFLSA-N 433.511 1.502 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2cccc(C#N)c2)cc1 1868136984 RDHCVWDTRZLKFL-UHFFFAOYSA-N 428.470 1.435 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cn4cccc(C)c4n3)CC2)CC1 1889433699 KUOVBJRPSHQZEU-UHFFFAOYSA-N 437.588 1.834 30 10 IDEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1890805218 XKGFCNOOSOQOGH-NRFANRHFSA-N 448.589 1.650 30 10 IDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)c1 1891317257 KWLHHUKNUPXYBI-INIZCTEOSA-N 440.481 1.415 30 10 IDEE CC1(C)OB([C@H]2CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1891607730 ZRXSNCJYQWDNPK-AWEZNQCLSA-N 434.323 1.781 30 10 IDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)ccc21 1891923042 GBMBUAAFMLHFDO-QGZVFWFLSA-N 441.513 1.879 30 10 IDEE C=C(CNC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1899519910 JVQQEKUZWWBTPF-ZDUSSCGKSA-N 432.348 1.228 30 10 IDEE N#Cc1c(I)cc(I)cc1[C@@H](O)C(=O)O 2060278255 CRMGSELXTUKMDD-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624755 BVHUHOBDHDXWCU-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE CC(C)(C)OC(=O)N1CC=CC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405894 ULIHORXZXRJJTI-GFCCVEGCSA-N 436.343 1.763 30 10 IDEE Cc1c(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255536667 LTVJTSLAQAXDNK-UHFFFAOYSA-N 436.318 1.308 30 10 IDEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256066310 AFTBBTYIHTUUJF-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE Cn1nc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2267132767 UCEACAYRLIBSRL-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)C1 2267164529 SOUKOYKGAJOZHJ-UHFFFAOYSA-N 444.341 1.715 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267266939 GZFYOOUCWQGUJJ-LSDHHAIUSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](CO)C1 2267287834 YEDYBZFOJDFZCI-HOCLYGCPSA-N 449.357 1.662 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2267498268 TVHIVOKXEHCILG-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267550511 AHWSFHHPQAUKQR-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2267606513 YRTDIYBFSRFXIZ-ZIAGYGMSSA-N 449.361 1.680 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)c(F)c2)OC1(C)C 2268990972 NCTHJSUBCVGJLZ-QGZVFWFLSA-N 444.268 1.920 30 10 IDEE C[S@](=O)C1(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282831475 LAQKIXULWKUISZ-VWLOTQADSA-N 439.817 1.890 30 10 IDEE CC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 16775696 JCHUUHNZPZYCHV-NRFANRHFSA-N 440.525 1.659 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 28057642 HRSAIMMYDIVGAN-UHFFFAOYSA-N 427.529 1.119 30 10 IDEE COc1cccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN2CCOCC2)c1 102749537 OALJAVUHIFCABT-LCPUNJGISA-N 440.500 1.789 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)CC1 109758716 SUAQIHSMHJLWRP-UHFFFAOYSA-N 440.401 1.485 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 427992091 LYQIHSCXSNWJQK-AWEZNQCLSA-N 428.518 1.174 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(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)cc1 428013063 WUTKXQOIGQVOTQ-PYGSNRKYSA-N 427.526 1.117 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 446630048 DDUDPIYTVYWSHC-XWULUQKBSA-N 449.511 1.750 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 460549109 DZJMXVDGNZLLCL-ZACQAIPSSA-N 425.555 1.335 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(C#N)cc2)C1 461201031 MTCGUTLCOAEKCK-QGZVFWFLSA-N 431.518 1.494 30 10 IDEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N 466681958 VILJYFGLWFHMOL-UHFFFAOYSA-N 427.412 1.832 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)o1 471194071 ASNVDQRZMHFIQS-UHFFFAOYSA-N 443.569 1.516 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478752866 BJPPNVKFVIALLY-INIZCTEOSA-N 434.521 1.440 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C4CC4)C(=O)C3)nnc12 505233493 XWXMULFTCRAXCZ-UHFFFAOYSA-N 438.513 1.156 30 10 IDEE Cc1noc(CN2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)n1 511412713 GAWCTRCJJKIRQB-UHFFFAOYSA-N 425.493 1.862 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](c3ccnc(N)n3)C2)CC1 518400830 GXBXAPDSAXIELP-NQIIRXRSSA-N 437.523 1.786 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)n1 544831663 JRPNCQAOHPACQD-MRXNPFEDSA-N 433.468 1.426 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCOC3)CC2)cc1 574697880 AZCCNZVVMDDJIJ-LEWJYISDSA-N 438.532 1.596 30 10 IDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 581420511 FIRRUEWTTALDKW-ZWKOTPCHSA-N 425.489 1.671 30 10 IDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2Cc2ccccc2)CC1 727416130 GLLBUJPQJMKLFA-UHFFFAOYSA-N 448.548 1.218 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 728534650 RQODCHAUQUDMJG-QGZVFWFLSA-N 427.505 1.338 30 10 IDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 733804256 AXABYONMICCKTL-IBGZPJMESA-N 429.521 1.054 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3)c2=O)cn1 735069627 YDSPQYMARBUUQX-UHFFFAOYSA-N 435.553 1.781 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 745882337 WJGFDPTUZYHRMD-IBGZPJMESA-N 445.564 1.882 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 746303995 BFYJRUVWOBREKR-RAJOGRCSSA-N 448.426 1.816 30 10 IDEE COC[C@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 749806668 PJHKGKJXDIBCAZ-MOPGFXCFSA-N 443.573 1.983 30 10 IDEE C#CCN(C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[C@@H]1CCS(=O)(=O)C1 751274489 VMKLSUGZHDODDM-FUHIMQAGSA-N 436.530 1.365 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2C)CC1 752989508 CULZCCORTHXNDO-CVDCTZTESA-N 435.528 1.152 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC1)C2 755782519 NLEZZSAFWBFXRX-MZLICYQSSA-N 436.560 1.526 30 10 IDEE C=C(C)COCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 762192457 FXQBGZQBUCJKGH-UHFFFAOYSA-N 447.351 1.793 30 10 IDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)CC(C)(C)C#N 776141789 AJGOLJNAKPPIPL-UHFFFAOYSA-N 437.337 1.770 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 782779364 DFPNJYQJORFXAY-UHFFFAOYSA-N 431.456 1.979 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)n1 790105892 GPWQYUSPZYJALY-UHFFFAOYSA-N 444.557 1.980 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1CCN(c2ccccc2C#N)CC1 793570200 BSXMFIUBHUXKAP-JOCHJYFZSA-N 439.516 1.259 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCN(C(C)=O)C2)C1=O 794441755 VLZMYDJMEJNBDX-YJBOKZPZSA-N 427.530 1.884 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 802244814 UNFPVXMGNAZXAJ-HNAYVOBHSA-N 435.546 1.189 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2)CCN1C1CC1 802321976 UMOXRJPAOZLGRY-ICSRJNTNSA-N 440.573 1.599 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 802604303 MCNWQICXGIUYDP-QGZVFWFLSA-N 426.477 1.921 30 10 IDEE C#CC[C@]1(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 804190256 SNQVGDJNAAZNPY-OXJNMPFZSA-N 427.567 1.662 30 10 IDEE C#CC[C@]1(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)CCCN1C(=O)OC(C)(C)C 809732743 PHGRDAUMFAFFOH-IDWIBACSSA-N 448.516 1.731 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 809893918 WFAGLPAOSZYWSN-LSDHHAIUSA-N 434.497 1.413 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)CCc1ccccc1Br 812497476 BHIDUVBKFYNQSN-NXVVXOECSA-N 428.308 1.437 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 815476555 BKPZTHKAMQAGBQ-OAHLLOKOSA-N 428.411 1.602 30 10 IDEE O=C1[C@H](NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)CCN1O 820175408 XXHSJSNKUBFUGB-UZUQRXQVSA-N 434.452 1.272 30 10 IDEE COc1cccc(NC(=O)CN(C)C(=O)COC(=O)[C@H](C)Oc2ccccc2C#N)c1 914679071 UMACTLJIZZMLDD-HNNXBMFYSA-N 425.441 1.974 30 10 IDEE CCn1c(S)nc2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)ccc2c1=O 916178170 NCMQSOHPYWCLKN-UHFFFAOYSA-N 428.495 1.837 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccc1C#N 1124790958 PGOGFIKLYCBVIO-UHFFFAOYSA-N 443.481 1.485 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1Br 1135185371 ACCDLYBINIKKBR-UHFFFAOYSA-N 443.319 1.506 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(N4CCCS4(=O)=O)CC3)ccc2c1=O 1142138637 CWARQFNHLYQEKI-UHFFFAOYSA-N 448.570 1.511 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCc3cn(C(C)C)c(=O)nc3O)ccc2c1=O 1153019551 LTNNCBGHYPMPGH-UHFFFAOYSA-N 427.486 1.644 30 10 IDEE CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCN(S(C)(=O)=O)C1 1159208447 QOCSFHKZOKYMEF-HNNXBMFYSA-N 441.351 1.249 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)[C@H]1c1ccnn1C 1163658298 KDCWSETVTQQVFF-QIJUGHKUSA-N 436.516 1.317 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167527999 VODAFJDWNFEKEN-XIRDDKMYSA-N 445.520 1.753 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)C2)c(=O)nc1O 1234103622 RGQBIVREACHBNC-AVRDEDQJSA-N 441.463 1.300 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 1286348113 SYSNOQMYFMCPGK-UHFFFAOYSA-N 444.565 1.113 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccc(C)s1 1286406955 NCULPHPZTFOLCA-UHFFFAOYSA-N 442.570 1.705 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCOC2=O)CC1 1286493091 LFQXIBRRAFFJAP-UHFFFAOYSA-N 430.553 1.675 30 10 IDEE C=C(Br)Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286548758 ZEKCZFDVAMIRAF-ROUUACIJSA-N 442.358 1.929 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1286726746 IGLOWSVDBVOPOP-KRWDZBQOSA-N 438.575 1.395 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1286768320 YPANABUXZKCJSJ-OAHLLOKOSA-N 437.504 1.109 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1286810959 YEJBDTRUOLJFOU-HOTGVXAUSA-N 437.566 1.007 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1287010361 ITPORESNLVLZOK-GJZGRUSLSA-N 430.475 1.958 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1287143775 ABURGNACRAQGPT-UZLBHIALSA-N 433.534 1.484 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1288517267 BNOOLROTFDNEJH-HOCLYGCPSA-N 445.549 1.266 30 10 IDEE CCO[C@]1(c2nnc(N3CCCN(C(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296638373 JNNLDFZVPHSVEU-OAQYLSRUSA-N 428.493 1.502 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1297398992 BKACSUDCXRJILG-LAUBAEHRSA-N 445.545 1.229 30 10 IDEE CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1298714731 RSQACYJZSVNVME-SLFFLAALSA-N 442.585 1.972 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 1300411130 QVGPFLMEAYKUMN-HNNXBMFYSA-N 449.499 1.803 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1300544792 FZSGPHYJWKBSFH-JOCHJYFZSA-N 442.541 1.096 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1300621884 QHLSSJLUOYKHKB-PZJWPPBQSA-N 435.576 1.899 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1300650728 XILMVDCUQFZTEX-WMZOPIPTSA-N 433.553 1.909 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cnccn1 1300863182 KDABUTHMTPBWET-MJGOQNOKSA-N 425.537 1.964 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1301474941 IVGXZVPGMIKBKO-UHFFFAOYSA-N 441.492 1.403 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2ccccc2)C1 1301479244 XONPSKUJEYVMSU-QFIPXVFZSA-N 426.521 1.471 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC2(CC1)COC(=O)N2 1301492109 XVEGDDFVVCKZRF-UHFFFAOYSA-N 430.896 1.980 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC1CCOCC1 1301501498 YFEQRMSRGPALMT-IBGZPJMESA-N 427.505 1.956 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1301520719 MPRJIRNWCLKMBD-VQIMIIECSA-N 444.580 1.605 30 10 IDEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1 1301583415 NVTPZWDYBWWHSO-DZGCQCFKSA-N 432.468 1.710 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1301584870 FOXGASXVXTXEMF-UHFFFAOYSA-N 437.595 1.497 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1301956105 DVCUBFUEMBTQLN-QRWLVFNGSA-N 433.534 1.750 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302444099 OQTVPAZWBXXCAM-OAHLLOKOSA-N 439.520 1.479 30 10 IDEE Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)N(C)C)CCO2)c1 1304601318 HCWKZNSFBMEBRW-HXUWFJFHSA-N 448.531 1.705 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccc(C#N)s2)cc1 1306857945 GQRDWDVNIDVKJN-UHFFFAOYSA-N 434.543 1.696 30 10 IDEE CCN1CCN(CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)CC1 1313959587 XCGFZGSWJJGDTE-SFTDATJTSA-N 445.612 1.770 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1314507373 MNIVIFBDHKVQSK-UHFFFAOYSA-N 434.522 1.333 30 10 IDEE COc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)cc1 1315415327 YGAORRIXBJWLAU-UHFFFAOYSA-N 433.472 1.577 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1316026695 FIRWZPCNVSSLKB-LJQANCHMSA-N 446.577 1.408 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)C(C)(C)C 1316272584 LGMYAXHKNLBLLE-PMPSAXMXSA-N 427.571 1.954 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1358894944 ZUEPYJVWROACGE-INIZCTEOSA-N 429.550 1.302 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1358970255 JMUIDDUUVVIYAM-RUZDIDTESA-N 449.555 1.888 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1358978817 VRQNYKBVMQBESO-AWEZNQCLSA-N 447.483 1.272 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@H]2CCC(=O)N2)n1 1359027426 JHVQWOWNNGJWNZ-QGZVFWFLSA-N 436.520 1.045 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSC(F)(F)F)CC1 1359029073 OEQWAERQJVOKHR-UHFFFAOYSA-N 439.467 1.934 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1359035517 WGDQUDQYFZMSKW-XLIONFOSSA-N 438.532 1.461 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359226654 JHEFWTXGYTXWEO-ROUUACIJSA-N 429.525 1.232 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359303548 SOBARGQWQLGRFW-GOSISDBHSA-N 430.553 1.141 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 1469107150 DZHJJMXQHGAERD-FQEVSTJZSA-N 426.498 1.989 30 10 IDEE CS(=O)(=O)C1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1470166617 RJRFSGWRLRTOPM-UHFFFAOYSA-N 441.575 1.369 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCCO1 1497056044 MMTWAFWCXXNTMQ-OALUTQOASA-N 429.569 1.942 30 10 IDEE CCN1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1502306356 UTWCWMRMVFJTMR-FMQUCBEESA-N 429.525 1.062 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cnccc2OC)CC1 1507736119 DSAZLIYICKVACS-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cnccc2OC)CC1 1507737033 YHGVZQQSPZAPHU-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507840165 NWZIZEKRIPVOAK-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507848964 QSDXMTFFJQZFCD-PKOBYXMFSA-N 432.569 1.511 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1508005058 SQLKCJUTQIKDLG-GOSISDBHSA-N 438.532 1.704 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C)C(=O)[C@H]1C 1508134419 SEMSCJFPILZZAK-OAHLLOKOSA-N 443.529 1.959 30 10 IDEE CC(C)(C)c1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1508495249 WJFVACCOYVKFKI-ISLYRVAYSA-N 429.525 1.194 30 10 IDEE Cc1nccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1511612757 GSJZTEKIDOLASS-AWEZNQCLSA-N 431.298 1.970 30 10 IDEE CCOCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1516708847 LAKKILQYFNVFPG-HTXNQAPBSA-N 445.911 1.993 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1517022564 OPZKCRGJFVHDHB-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc(C#N)nc1 1529906413 CDGGWJRWHWSUNX-SFHVURJKSA-N 429.521 1.908 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(-c3cccnc3)nn2)c1 1534105631 BLEVVSIXBGGXDF-NKFKGCMQSA-N 425.474 1.727 30 10 IDEE C#CCN(c1nnc(C)n1CCc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1539206637 SUUYJCFLHFQVCK-GFCCVEGCSA-N 433.481 1.931 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1539211007 FOBCLYTXWCYQPT-SFHVURJKSA-N 439.545 1.311 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539221624 QRVIEGZPMNXFTP-KZNAEPCWSA-N 447.561 1.305 30 10 IDEE CCS(=O)(=O)NC1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540799946 ZWAJPALEIQZTMA-INIZCTEOSA-N 430.571 1.894 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC[C@H]1C 1540864931 PEVCZOBSMOYRKY-CQSZACIVSA-N 431.493 1.498 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](OC)C1 1540870103 DZRAEVGDECDNRX-SJORKVTESA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1540875241 FLNAVPUXAJGVHS-QGZVFWFLSA-N 440.483 1.768 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1540900368 SPMYSPOBOSHMPS-OAHLLOKOSA-N 433.534 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540901309 ZOTLJYFPEIBLKN-KRWDZBQOSA-N 432.550 1.436 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 1541104797 HJFXVVDXJIBMHQ-QGZVFWFLSA-N 444.557 1.421 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1541274831 DKTXNCXUFSYTQV-HNNXBMFYSA-N 439.586 1.181 30 10 IDEE CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978161 IISQKZIMJSVBSO-GHNGSUTGSA-N 426.473 1.676 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1548004539 ALDHNBHRXVFRSU-DRSNIGMVSA-N 443.504 1.524 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C#N 1554502042 FBVHEMJQSWDMHV-SNVBAGLBSA-N 430.332 1.181 30 10 IDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 1558938797 UZKXNZGLMXECGK-FQEVSTJZSA-N 439.534 1.489 30 10 IDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568508139 KDUCPPCELAWIFB-ZWKOTPCHSA-N 430.505 1.705 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1587059515 ZRQMQZJZBUXVKI-JOCHJYFZSA-N 428.577 1.944 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1587988993 DUDBMQMOVBGOPB-IBGZPJMESA-N 447.561 1.436 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588046126 XXMMWGWZIZRPGK-IRXDYDNUSA-N 448.520 1.516 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(C)(C)O)CC1 1588923538 CTAYJFBWPFRLGD-UHFFFAOYSA-N 442.520 1.133 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@@]1(OCC)CCOC1 1589124958 FUWFGOJZDNMPOQ-DYESRHJHSA-N 435.594 1.792 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1589708784 UNGWGDMSHZPVAR-CQSZACIVSA-N 438.554 1.466 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1593690756 OKXDNPKQPNWYJS-UHFFFAOYSA-N 447.584 1.737 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593746415 DLINNOZTEYPACU-INIZCTEOSA-N 427.571 1.235 30 10 IDEE C=CCCOCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OC(C)C)CCOC1 1594829507 KGSRCTUJLKLOGN-QFIPXVFZSA-N 449.552 1.990 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1594885957 SJQSQJRWFGQWSS-HNNXBMFYSA-N 430.328 1.208 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1596551029 VGGNCXKBOMDENO-MEUCICPISA-N 427.509 1.034 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1597985049 DYGJELUFMDVFRJ-PBHICJAKSA-N 425.493 1.483 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCc1cnn(C)c1 1608453730 LMQKADDKDPHJKO-UHFFFAOYSA-N 449.519 1.318 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1610904241 SFOOMQPNUANCGK-RXVVDRJESA-N 429.525 1.414 30 10 IDEE Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1612040319 CYZPLURCSZFYDD-UDJKBAMHSA-N 426.477 1.988 30 10 IDEE CCOC(=O)CCC#Cc1c(F)cc(-n2c(=O)cc(C(F)(F)F)n(N)c2=O)cc1F 1614339161 PCGFEDXHWUJKGL-UHFFFAOYSA-N 431.317 1.705 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1617734697 FMMKCBZPELPXMP-OAHLLOKOSA-N 425.461 1.722 30 10 IDEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)CC1 1619784767 XKNFYYKPPLKTJA-RTBURBONSA-N 439.516 1.994 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1620358171 FCFKLMYDAQMLFP-SFHVURJKSA-N 432.488 1.935 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(n2nncc2I)CC1 1620421035 YHQFQAMCUXNHMY-LLVKDONJSA-N 428.278 1.471 30 10 IDEE C=CCC[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1627752456 PJYPZPSZBPCHOP-GJZGRUSLSA-N 432.539 1.425 30 10 IDEE N#CCN1CCC(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1627909893 LWELFUCWERSCGJ-UHFFFAOYSA-N 434.440 1.215 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Br)cn4ncnc34)CC2)c1C#N 1634181577 MKECISKUXQLEHC-UHFFFAOYSA-N 429.282 1.368 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)n1 1635720972 AROOCUXCYASGSF-HZPDHXFCSA-N 426.464 1.897 30 10 IDEE Cc1nn(C)c2c1N(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1636082438 UHQWPQFYSBGPSU-UHFFFAOYSA-N 431.518 1.753 30 10 IDEE C#CCN(C(=O)NCCCN(C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1636882972 LEHZNUCCZJYLJW-UHFFFAOYSA-N 430.571 1.312 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 1638395086 MMYTWKSBTXMWLC-JKSUJKDBSA-N 426.539 1.441 30 10 IDEE CC(C)N(C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1 1644133990 VSMLYPZLHSLXBT-UHFFFAOYSA-N 426.473 1.665 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)s1 1646134807 VXJLRZJKHAFEID-LBPRGKRZSA-N 431.536 1.422 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3[C@H]3CC[C@H](COC)O3)ccc2c1=O 1646251514 UJLRPYYVNDGVTA-ATZDWAIDSA-N 445.541 1.906 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c1 1648330639 LIZBDBZOEDYETA-JOCHJYFZSA-N 430.505 1.668 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1649035951 ROQRJAJTJLGYQN-UHFFFAOYSA-N 445.497 1.486 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c(F)c1 1649120314 DOKOTKOIYWGFHA-IBGZPJMESA-N 445.451 1.754 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)CCO2)n(Cc2ccc(F)cc2)c1C 1656553154 HKXAUHOENWFAPI-UHFFFAOYSA-N 434.493 1.765 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)CC1 1664311605 MHJNBYQMCSDIAT-UHFFFAOYSA-N 429.564 1.223 30 10 IDEE COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 1676113166 NWAQFVHMVRWADU-PKOBYXMFSA-N 436.534 1.016 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1690001961 WDMUSENNMFLGDC-CYBMUJFWSA-N 435.579 1.158 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1690046170 ZJUNNMUVCWGCGP-QUCCMNQESA-N 430.512 1.745 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690287728 QQCZFJONZBUCSG-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690745170 ZJIQPSFZVOPCSH-MOPGFXCFSA-N 448.637 1.834 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690750082 ZMDVRRAUGFYEML-HNNXBMFYSA-N 433.538 1.589 30 10 IDEE CC(=O)NCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1690968946 JNQKRTABQLKOQO-AWEZNQCLSA-N 436.314 1.301 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690993526 MBKIAQHXLHGXJF-WBVHZDCISA-N 441.511 1.593 30 10 IDEE CC(C)Cc1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1692262759 OYTAZRKWSSGFKY-VTNFTYBJSA-N 441.536 1.060 30 10 IDEE CC(C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692400112 KCOSPJIOLKBCSC-OEAGWNGGSA-N 446.552 1.937 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ncccc1N(C)C 1696299206 SLKIGUSVZGKMTC-UHFFFAOYSA-N 434.504 1.859 30 10 IDEE COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1698225049 SMOPTBYGYZCEHQ-OALUTQOASA-N 440.504 1.342 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698493190 PBNNTXJZGIFEGH-AZUAARDMSA-N 449.490 1.476 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCCC)nc2)CC1 1705642080 GGICIMQDXKIIGZ-UHFFFAOYSA-N 437.548 1.388 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(N2CCNC2=O)CC1 1705662887 OYXXYMZLVFVEGM-UHFFFAOYSA-N 425.562 1.624 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705894211 PNOPELDVGCPIDC-WMZOPIPTSA-N 429.525 1.703 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705898460 MMZLSMCRTQCKLF-QGZVFWFLSA-N 433.534 1.269 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705903082 PMUPLPZUNLSNMD-GOSISDBHSA-N 436.520 1.415 30 10 IDEE C=CCSCCn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705940734 NXMUMZRXROXWPJ-UHFFFAOYSA-N 425.584 1.059 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCOCC(F)(F)C(F)F)CCO1 1712883994 DMIKNBZWIQGKSC-CQSZACIVSA-N 428.390 1.910 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1722309322 WTZQBKXABCAQDF-HUUCEWRRSA-N 438.579 1.726 30 10 IDEE C#CCCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722323648 WLXJAEWGEQESOJ-MZKRTTBSSA-N 431.581 1.891 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1722382801 FHBFHNZQIDGOCR-KRWDZBQOSA-N 426.427 1.208 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722457591 HANXALHBCVVVKT-HKUYNNGSSA-N 427.578 1.649 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1722538442 XXHSBVQOJWRDHO-ULQDDVLXSA-N 427.571 1.296 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722727416 IKXKKGYYDJVQFF-HOTGVXAUSA-N 436.538 1.458 30 10 IDEE Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1725727227 BNEVVXPHTQUFOQ-UHFFFAOYSA-N 448.535 1.215 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(C)n2)CCO1 1729678078 BRUZLDXBXYQMAZ-SFHVURJKSA-N 437.529 1.776 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740565605 YCBDZYRYEXKIIE-LJQANCHMSA-N 441.580 1.060 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1740622518 ZAOWKDGGPLIDMD-SFHVURJKSA-N 429.546 1.784 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nccs2)CC1 1740701014 QXIWWFOQVBQWNK-UHFFFAOYSA-N 443.577 1.471 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1740703512 VMZJKLOWEAVCSO-UHFFFAOYSA-N 438.532 1.553 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CCN(C)C)CC2)CC1 1740817748 RZKLQTKCGDAFPI-UHFFFAOYSA-N 429.613 1.944 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740857461 NLIKISYQRAHQGD-QUCCMNQESA-N 445.612 1.761 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnccc1OC 1740932067 GFCXELUPAJOZHW-GOSISDBHSA-N 448.549 1.241 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740950344 HCRCPKCPPKIXAM-HOTGVXAUSA-N 447.540 1.329 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1740958505 BUIQJKBRYMILGH-INIZCTEOSA-N 436.495 1.892 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C=C)CC1 1740958979 IAVKQNBOSCDMBN-UHFFFAOYSA-N 433.516 1.897 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740961288 SFSZORAARSEJGI-NRFANRHFSA-N 449.559 1.890 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 1740963950 BUPJJVPIDHLPDU-UHFFFAOYSA-N 440.548 1.881 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1740970451 LPXHWMNPHJBPDX-HZPDHXFCSA-N 446.533 1.141 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)CCOCC2)C1 1740972603 KJDQKLCVKMJQSG-CVEARBPZSA-N 427.571 1.486 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740977210 SIDJFUUQJFNWQA-KRWDZBQOSA-N 447.561 1.370 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)[C@@H](C)C1 1741055167 FPHRBMXURACAMH-KRWDZBQOSA-N 426.521 1.948 30 10 IDEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)CC1=O 1745728564 LBHGAVQTZNXPGX-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1748673226 ZRJNHRRMWDULNF-JKSBSHDWSA-N 425.537 1.450 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1749553757 VKOZJXRNBGIBOU-AQNXPRMDSA-N 444.580 1.774 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1749650413 WDARINSYPYCPRV-INIZCTEOSA-N 426.525 1.064 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1749719070 NDGDQNBCFYJJQS-NZQKXSOJSA-N 438.532 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1749736852 QMGQWKWSCCJZIX-UHFFFAOYSA-N 433.534 1.254 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1752425834 HQZNEDJNXFPTSV-IAGOWNOFSA-N 446.577 1.808 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1760187998 MSHUMDYPEJFLGP-GOSISDBHSA-N 433.578 1.575 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760190620 XXXNTWAQTCYBOE-HRAATJIYSA-N 431.562 1.841 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1760225983 FRPOSFBQONGRSQ-UHFFFAOYSA-N 431.298 1.706 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCn3ccnc32)CC1 1760257273 SJHSXVAGTRKKGF-RTBURBONSA-N 427.553 1.531 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760448519 FVPUTADJNFQVCN-UHFFFAOYSA-N 425.493 1.453 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760560025 XOMAZOFMZDYPNX-UHFFFAOYSA-N 444.561 1.989 30 10 IDEE C[C@@H]1CCC[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762827343 SZEITMYYYDFWRL-QZWALTAQSA-N 441.536 1.771 30 10 IDEE C[C@H]1COCCN1c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1763222148 GRRZPAXCEUCPIX-NFFVOIMASA-N 436.516 1.815 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1767748549 GEDBMHQRWJKNMQ-OALUTQOASA-N 426.521 1.831 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1769706049 WCGBPJWWELWHAM-GUDVDZBRSA-N 434.585 1.894 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1771251658 VACUNLUFGAJPSD-UGKGYDQZSA-N 427.505 1.864 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1771362516 COCNMAVNJBGEMS-UHFFFAOYSA-N 426.502 1.976 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1OC 1851782249 AIQNSOBDEDRFGW-OAHLLOKOSA-N 436.472 1.067 30 10 IDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC(=O)N(C2CCN(C)CC2)C1)c1ccc(F)cc1 1852433240 ZDBCMQWERAEFGL-OAHLLOKOSA-N 433.553 1.976 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)N=C(NOCCN1CCCC1)c1ccncc1 1853433713 KAYOTTUSDHPVLV-UHFFFAOYSA-N 446.529 1.929 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccc(C)cc3)C(=O)C2)C1 1853697982 QTAGDULPBPNOPN-IBGZPJMESA-N 433.574 1.480 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@@H]2CCCO2)CC1 1857356773 OGAUEAXVAAIREE-KRWDZBQOSA-N 431.514 1.986 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CC)CC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865730642 DPQZNJROLFLJJM-INIZCTEOSA-N 440.500 1.212 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCc4ccccc4C3)ncnc21 1873562809 UJHTZBXMMZZTBA-UHFFFAOYSA-N 446.555 1.930 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc(O)c1 1874433082 CIYHJLXBSSPQBV-LSFURLLWSA-N 428.474 1.504 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@H]1c1ccc(C#N)cc1 1889325792 COCVIEJEUNITFX-DQLDELGASA-N 426.542 1.831 30 10 IDEE C=CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O)C(=O)OC(C)(C)C 1984806234 MASNYWHYCQPHCQ-AWEZNQCLSA-N 427.498 1.942 30 10 IDEE CC(C)(C)OC(=O)Nc1cnn(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c1 2124543962 YOTXMYOCRPNHGS-UHFFFAOYSA-N 444.301 1.958 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962778 RCEOIVLLWLZKND-GJZGRUSLSA-N 446.375 1.464 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653991 QJLPDMUSVUXKCD-ZDUSSCGKSA-N 436.318 1.390 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 2255692211 ADANBGSIPLNHPC-CYBMUJFWSA-N 435.334 1.101 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2267272143 XPHSQEVUIGGQBT-FQEVSTJZSA-N 439.365 1.955 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267274966 HVVJDFPXODIUPY-OAHLLOKOSA-N 444.341 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C 2267280348 OWESHWDBQANAGM-BFHYXJOUSA-N 447.345 1.100 30 10 IDEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267505661 LVHQFCMCGHMADX-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267538328 UDXISNBQUTUUKT-GJZGRUSLSA-N 448.329 1.140 30 10 IDEE C[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282842908 FJEQIDZTCCRCQM-JUTIIYIPSA-N 439.817 1.842 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2F)OC1(C)C 2282845997 BVKZEWZPTCJGAL-UHFFFAOYSA-N 427.303 1.653 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@@H]1c1cccnc1 72461214 VWCQCHBBDSNDJF-MAUKXSAKSA-N 444.451 1.924 30 10 IDEE COc1ccc(/C(C)=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)cc1 105382148 XCUVCWDVORTQGJ-LSFURLLWSA-N 441.477 1.074 30 10 IDEE COc1ccc(CN2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c(OC)c1OC 409537082 QZMMWJMNHSGFIS-HNNXBMFYSA-N 426.539 1.166 30 10 IDEE C[C@H](Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 444408507 AXLGZBFKKRJEEN-ZDUSSCGKSA-N 428.518 1.603 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4nc(C(=O)OCC)n[nH]4)CC3)cc2C1=O 444656877 IPEMQLVECXKTHU-UHFFFAOYSA-N 437.456 1.783 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 448292122 ADKTWLOCJSQUHR-UHFFFAOYSA-N 442.423 1.855 30 10 IDEE COc1cc(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1C#N 460653776 JKGSUHHDJAXWTL-SFTDATJTSA-N 433.512 1.965 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 461345983 VPZNHGKZIJXABU-MRXNPFEDSA-N 445.516 1.264 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C1CC1 476996302 AONDKOSQMQZNTL-UHFFFAOYSA-N 448.317 1.952 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccc(F)cc1 478743409 FTFJHLJTGSWWQR-UHFFFAOYSA-N 439.516 1.845 30 10 IDEE CCOC(=O)C1(COC)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 483232623 SPSZYDDJAXCCFY-SFHVURJKSA-N 448.589 1.749 30 10 IDEE COC(=O)C(C)(C)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 494407776 UZYOHGYYWKCHSL-HXUWFJFHSA-N 445.539 1.104 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C)c1=O 502039590 JISQOMGAWJONRA-UHFFFAOYSA-N 433.537 1.503 30 10 IDEE N#Cc1c(CCCNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)nn(-c2ccc(F)cc2)c1N 503280693 FVELOAVNPHWPFS-WCARGRLMSA-N 431.471 1.841 30 10 IDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 507289358 FUTJHMOUCPELSB-FQEVSTJZSA-N 439.534 1.177 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508734309 QOVPCKLZJZJJHJ-KRWDZBQOSA-N 430.578 1.887 30 10 IDEE C[C@H](C#N)CN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C1CC1 533140809 ZCYBQNAGJFNESI-GFCCVEGCSA-N 442.335 1.953 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C[C@H]2CCCO2)cc1 549899230 NKCUWSFXFAGQFR-OAQYLSRUSA-N 449.559 1.740 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1ccsc1 581919155 VDHLATNQCVJBJX-UHFFFAOYSA-N 426.479 1.426 30 10 IDEE CON[N+](=O)CC(=O)N1[C@H](c2ccc(OC)cc2)N(S(=O)(=O)c2ccccc2)C[C@H]1C 585088906 JUGSAEJPMDSSJI-FOIQADDNSA-N 449.509 1.460 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CCS(C)(=O)=O 590410245 GQGIYJAXCKYJIX-ZBFHGGJFSA-N 427.548 1.041 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 604663683 IKOHNUFYOLFGLH-QGZVFWFLSA-N 439.482 1.914 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 613979626 LHBSIJLYLSMBMT-UHFFFAOYSA-N 427.482 1.649 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730144276 ZCPPZNORVJVMAK-WMZOPIPTSA-N 447.605 1.827 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(Br)cc1F 732670043 SLWOHGWUZZJDEO-NSHDSACASA-N 446.298 1.736 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)CCN1C1CC1 732706788 PJSNTEQMRQCULV-HXUWFJFHSA-N 432.484 1.149 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(C(=O)c2ccccc2)CC1 737749532 ZEELGCLZFOOQHF-UHFFFAOYSA-N 440.525 1.394 30 10 IDEE C[C@H](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742503414 YEJCFLINPJNAMW-OAHLLOKOSA-N 432.546 1.365 30 10 IDEE CC(C)(C)SCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 749165755 VAHFRUBPKKIDPI-UHFFFAOYSA-N 439.559 1.466 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 752195669 ZOQINTWTOWFVLD-AWEZNQCLSA-N 444.582 1.233 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccnc1S(=O)(=O)C(F)(F)F 757439957 VSLIEXWSUGFDEN-LLVKDONJSA-N 440.407 1.388 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H]1COC[C@@H]1C(=O)O 757471730 UQOVWQMDYOYRCQ-LEWJYISDSA-N 434.448 1.744 30 10 IDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CCCCC3)C2=O)cc1 760401695 ZAUQTTDOTCWZFG-HXUWFJFHSA-N 446.529 1.682 30 10 IDEE COC(=O)C(C)(C)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 766164777 ZCOQBAZSEDCAJV-GOSISDBHSA-N 429.498 1.782 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(c2ncccc2C#N)CC1 768282452 GVOMTZJWLRIABN-SFHVURJKSA-N 444.536 1.267 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 788576846 LOSSLHTZEUCWDS-QGZVFWFLSA-N 446.504 1.474 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)n1 788862461 RVGVKRRXBXTEBT-RTBURBONSA-N 440.548 1.883 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)n1 790105874 GATOAKWUFVRRCH-UHFFFAOYSA-N 444.557 1.036 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 794625933 LWCIIDCEPGUUDC-SFHVURJKSA-N 435.505 1.639 30 10 IDEE C[C@H](CC(=O)N1CC(O)(c2ccc(Cl)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 802666123 GXFZATVSBLUBBK-CYBMUJFWSA-N 433.917 1.887 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1 803434166 XHAUCFGGXQJYRB-AWEZNQCLSA-N 445.463 1.519 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCCO2)c1 812430246 IEAHRKLLFJGYSI-VQTJNVASSA-N 439.516 1.991 30 10 IDEE CCOc1ccccc1N1C(=O)C(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 818226396 QCWIWVDJZSDCMB-UHFFFAOYSA-N 434.456 1.427 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(SC(F)F)cc3)cnc21 916886748 JUYNUYFHZDKONW-GFCCVEGCSA-N 432.412 1.792 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)c(OC)c1 1084609981 WSIITEKVPMJUEL-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)s1 1149775346 CTDRXARUDGJPIJ-CYBMUJFWSA-N 429.564 1.881 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1155872896 GMEUISCZDBQUPJ-IBGZPJMESA-N 434.518 1.352 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncc2c(n1)CCOC2 1165261772 QZYQVKWEPYKUBJ-KRWDZBQOSA-N 443.529 1.463 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2Cc3ccccc3OC3(CCOCC3)C2)c1 1184258818 ZOALDFGQYOXJAS-UHFFFAOYSA-N 441.509 1.807 30 10 IDEE CN1C[C@@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCC1=O 1194647756 CILJJQJXPXJOJJ-DLBZAZTESA-N 427.549 1.909 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)NCCCC#N)CC[C@H]32)CC1 1226132244 DTTDOYDWVLDPJR-DLBZAZTESA-N 434.541 1.867 30 10 IDEE O=C(NCC#CCO)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O 1235584211 OUCRGLHLKHHSCU-SDNWHVSQSA-N 425.413 1.619 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286323704 LXSRBWCHSPLBKX-SJORKVTESA-N 437.566 1.699 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286324583 QFQWWTNGJHWXLU-OALUTQOASA-N 446.577 1.394 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286336852 YWTBEFIOFGPLPA-INIZCTEOSA-N 426.525 1.227 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 1286385798 PHNJUMRNVZTFEL-JXFKEZNVSA-N 443.573 1.790 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 1286393485 DXEYMPLYHZQMSH-IBGZPJMESA-N 447.605 1.998 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1286397156 MDCLPPFXQOBSLH-RDJZCZTQSA-N 434.591 1.326 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1286408215 AKVKWHGDMMIXQO-HNNXBMFYSA-N 434.468 1.610 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1286446022 CEWWYQMDNUQOPB-GOSISDBHSA-N 433.534 1.127 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286463437 OCVUFYKEPAPXCV-LJQANCHMSA-N 438.937 1.234 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286523106 VZEYJSSWKAHFOU-JTUHZDRVSA-N 438.507 1.705 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1286959380 GDGNZQBEJKVSBI-JKSUJKDBSA-N 446.581 1.528 30 10 IDEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(C)(C)C 1289007280 FAURGSKOCJSEAG-UHFFFAOYSA-N 446.573 1.787 30 10 IDEE C[C@H]1CSCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1291314215 WWWDWYGXNBEMNY-CVTQAYBASA-N 439.545 1.732 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC=C(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1292032938 ICWXRKHMNSGPLE-ZZEZOPTASA-N 441.536 1.879 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1292357932 XIPBQZLRPZTDHB-HTAPYJJXSA-N 437.504 1.810 30 10 IDEE Cn1cc(-c2nn(C)cc2NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1297488942 FVYNNWZZSMKCQA-UHFFFAOYSA-N 427.490 1.278 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1297986708 GRPVLWRXIOUOOT-QGZVFWFLSA-N 441.511 1.598 30 10 IDEE C=CCn1c(SCC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)nnc1-c1ccc(Cl)cc1 1298209431 FSCWPCPRLHTBQC-OKILXGFUSA-N 431.905 1.608 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCOC[C@H]3C)CC2)s1 1298699632 LJQKJULWMCULRH-OAHLLOKOSA-N 427.592 1.467 30 10 IDEE COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCCC1 1299809931 HWMATGMCGXOQNI-HOTGVXAUSA-N 440.570 1.309 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300368553 XVQIACVRFJKGSM-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300433021 WEKUWQQLZRGMMI-INIZCTEOSA-N 435.463 1.478 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncccc1N(C)C 1300456290 YPXRTOGCYITPRR-UHFFFAOYSA-N 428.500 1.771 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cc(CO)nn1 1300620253 FKDIUYYITMGCLX-UHFFFAOYSA-N 431.504 1.764 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC=C(C)C 1300671818 QKXQHSWZZRDKPU-KRWDZBQOSA-N 425.555 1.053 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301048390 ZKFOOLDTDMKRQX-QGZVFWFLSA-N 429.912 1.783 30 10 IDEE C=C(Cl)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1301060127 AMEJBSNMICJZFT-KRWDZBQOSA-N 433.962 1.154 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301530405 SWDJBBDPKBDSKG-BGYRXZFFSA-N 441.532 1.977 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCCOC2)C1 1301586602 OEOROJMCVDRTKX-NRFANRHFSA-N 431.562 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCCC2)C1 1301588239 DRMVWEQAGWCBRS-INIZCTEOSA-N 442.607 1.552 30 10 IDEE CC(C)Cc1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302870543 QBDHIAHASVDRFA-DELBMDMPSA-N 444.536 1.387 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1303427427 LQEQYJOAPNMRBD-UHFFFAOYSA-N 433.520 1.781 30 10 IDEE C[C@@]12CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C[C@]1(C)CS(=O)(=O)C2 1308055799 HASKOSHZINVRGK-FCEUIQTBSA-N 448.564 1.291 30 10 IDEE C#CCN(CC1CC1)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312978652 WNBHPUZJKPBMGF-UHFFFAOYSA-N 434.562 1.202 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1314967082 XFOZMGWLIQBLQF-NRFANRHFSA-N 428.562 1.895 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1316538029 GLLCHVXBQBCTEW-GVDBMIGSSA-N 440.495 1.257 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1F 1341114363 XUOIQUQQAKBARS-HNNXBMFYSA-N 430.501 1.965 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1358871082 ZOKUGJCZPQGZBH-INIZCTEOSA-N 433.520 1.944 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1358915778 OYRDAYZINZMYJN-UXHICEINSA-N 428.581 1.751 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1358956937 MULGLMWVGVZXFI-WIYYLYMNSA-N 436.578 1.746 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](COC)OC 1358993287 JRTJTCHRCBFJLB-HXUWFJFHSA-N 437.548 1.576 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nnc3n2CCCCC3)CC1 1359030268 RUVCUBPSTUVVSC-GOSISDBHSA-N 442.568 1.124 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(OC)CCCC2)CC1 1359047099 QRQGYUFWSQRMBT-UHFFFAOYSA-N 442.564 1.326 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCO[C@@H](C)C2)CC1 1359159419 VUNROLMGRSOLEA-ZWKOTPCHSA-N 440.614 1.546 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359226010 SZHNKVOXRDNHAZ-KRWDZBQOSA-N 444.536 1.951 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@H](C)C1 1359328746 NGCWSRDETDZYPH-MRXNPFEDSA-N 448.549 1.985 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359330044 FCYXMMJLGBJJJG-QGZVFWFLSA-N 448.549 1.656 30 10 IDEE Cn1cc(C(F)F)c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1438588098 QPSGOKBAYHRHEE-UHFFFAOYSA-N 437.472 1.946 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c1 1441763354 DLDJHIUORFLQNZ-FPOVZHCZSA-N 437.471 1.408 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)[C@@H](C)O)cc1 1453810762 ZWPHTHGBOBYQAD-IIBYNOLFSA-N 442.541 1.696 30 10 IDEE C#CCN(CC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1)C(=O)OC(C)(C)C 1454193643 LKGXVOJDAFIXQN-UHFFFAOYSA-N 443.548 1.890 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2cc(Br)ccc2OC(F)F)c(=O)n1CCO 1459235418 JIDRYBWNQXBTCI-UHFFFAOYSA-N 430.205 1.595 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 1465186988 BCZBPOUETZRSKU-UHFFFAOYSA-N 448.513 1.478 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 1465769521 SILLUPJXJKBMEN-LNMJFAINSA-N 426.494 1.021 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1470161574 GWFWTXHWQDOUSB-UGSOOPFHSA-N 427.461 1.993 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1472226702 QIRDHHVKVWYCPS-AWEZNQCLSA-N 447.561 1.850 30 10 IDEE C#CCC1(NCC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CCC1 1473819318 AVCUSKCRZXVPNO-UHFFFAOYSA-N 439.516 1.094 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1 1475974536 ZHTPCQNHGUZKHL-UHFFFAOYSA-N 443.469 1.592 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCC(C#N)CC3)CC2)cc1 1478933696 CXCARXIWVACRQN-UHFFFAOYSA-N 435.550 1.092 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C 1492320241 HRRPKVSFBVJXNZ-VFNWGFHPSA-N 447.561 1.619 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)OC 1504578704 DIXMNYFCQBCJKV-VKJFTORMSA-N 435.550 1.736 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1=O 1504913623 LHAUATBBBDXSKO-UHFFFAOYSA-N 434.447 1.393 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1507632257 KGQIDMFOUAYQDC-ZWKOTPCHSA-N 430.530 1.553 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507637917 NLAIEVVYKMBJEI-LZJOCLMNSA-N 436.578 1.698 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1507756198 HOEAGPVERGSWDQ-INIZCTEOSA-N 429.546 1.934 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1508072598 GWYRXHOJBGKUJW-INIZCTEOSA-N 446.556 1.506 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1508079292 QFVJOAZGRCOTKI-DLBZAZTESA-N 440.548 1.937 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1508107364 CEMULZRRFDOPMR-LJQANCHMSA-N 447.561 1.824 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CCC(=O)NC)CCOC1 1516226344 WLDVMRCNZAMLCI-SELNLUPBSA-N 438.532 1.810 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1539013189 IDLOSOINLBPRNI-JENIJYKNSA-N 447.561 1.536 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539225866 RCEUMSSGGOFGKI-MRXNPFEDSA-N 428.543 1.395 30 10 IDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1539750908 XEXCIWHRKAWAKO-UHFFFAOYSA-N 425.541 1.834 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1)C1CC1 1540094292 FGBJRGRXHPZVIV-CQSZACIVSA-N 432.550 1.451 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1540198986 VCAWMOGQUSTBNE-MRXNPFEDSA-N 432.525 1.365 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540875591 QSBJACLRALDFMX-IYBDPMFKSA-N 434.541 1.420 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1544550886 BJFFQCBZLXDIAR-YLJYHZDGSA-N 437.548 1.330 30 10 IDEE CCCCOCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547080787 WEUHPBADXOZFEC-UHFFFAOYSA-N 439.520 1.752 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1548335458 ATMCZAVDSGIKQQ-UHFFFAOYSA-N 442.549 1.516 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)c2cc[nH]n2)CCO1 1555992891 DFQJWNLVAHIHFJ-ZDUSSCGKSA-N 444.858 1.619 30 10 IDEE C[C@H](CC(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1556589545 LCVVNXFLIZNHAK-BLVKFPJESA-N 428.470 1.367 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1558829483 JBFSLQNAVQIEPY-UHFFFAOYSA-N 439.465 1.542 30 10 IDEE C#CC[C@@H](COC)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1562135606 VLMUELCBCXDQRS-FQEVSTJZSA-N 436.516 1.528 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C#N)cn2)CC12CN(C(=O)OC(C)(C)C)C2 1564873733 KALBATWSDNIORO-INIZCTEOSA-N 429.477 1.505 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)c1 1567903907 PNEWORRHSQXJQS-UHFFFAOYSA-N 445.472 1.525 30 10 IDEE CNC(=O)NC[C@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCO1 1584822338 DCRGRMCFIQLWGT-KRWDZBQOSA-N 433.940 1.975 30 10 IDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587838216 QPSQCZBQFOPGHY-UHFFFAOYSA-N 436.516 1.294 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1587915834 TWCDGDAAVQXMHA-NRFANRHFSA-N 447.561 1.345 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588049562 IICZJJUPEOKAKU-KRWDZBQOSA-N 427.534 1.266 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1588170521 HXEONADMGGJTFR-CALCHBBNSA-N 438.536 1.791 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588258662 GVQHKIVAEFVOJU-QGZVFWFLSA-N 429.521 1.886 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCSCCCO)CC1 1588898946 IOMJAVZOOFWHFP-UHFFFAOYSA-N 431.562 1.928 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCC 1589069045 IBLZZIMIJQWZAK-HZPDHXFCSA-N 429.612 1.602 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1595021127 UQQSDBUGDZDJRK-ZFWWWQNUSA-N 431.584 1.010 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595523577 ZESUNJKFDFFPRO-KRWDZBQOSA-N 425.537 1.332 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595798702 SHEZHVFIONNQGP-ILXRZTDVSA-N 426.495 1.235 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1608167538 MQIMXXRAKWEVQN-UHFFFAOYSA-N 449.437 1.552 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1617375976 WWBWWUPTPCGFFK-QGZVFWFLSA-N 445.549 1.067 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 1617773438 DTWSBDWYBNSRQB-RBUKOAKNSA-N 428.489 1.686 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC[C@@H]2CCOC2)cc1 1620350569 MBPMKRYNJBOYCF-AZUAARDMSA-N 438.532 1.962 30 10 IDEE N#C[C@]12CN(C[C@H](O)COc3cc(F)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1620635756 YKHQDCHIJRMXTK-HZUKXOBISA-N 433.299 1.198 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCN(C)CC1 1626637843 WMCLZWWMDXMEHL-KRWDZBQOSA-N 448.545 1.552 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2n[nH]cc2I)cc1 1633474567 AGHWHLRJYPFRRY-UHFFFAOYSA-N 430.227 1.439 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCN(c4cnccc4C#N)CC3)C2)cc1 1637768662 DLSUIIYGMOZEDB-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1639840615 PCJMGZJEJABRTC-STQMWFEESA-N 449.392 1.944 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 1660903099 ZYJTZDWWFPDBGA-ZDUSSCGKSA-N 439.433 1.303 30 10 IDEE CC(C)(C)c1nc2ccc(S(=O)(=O)NCCn3cc(C#N)c(O)nc3=O)cc2s1 1670465421 FNPWANCTVBZWRC-UHFFFAOYSA-N 433.515 1.706 30 10 IDEE CCOC(=O)c1c(NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)c(C#N)cn1CC 1672913195 AVHIZDMIMADBHO-UHFFFAOYSA-N 425.511 1.444 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)C1 1689885854 XSQSYRYCQGJYQW-UHFFFAOYSA-N 429.550 1.320 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1689937154 QOICBBPTEXUPKX-QGZVFWFLSA-N 428.562 1.988 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1689989024 ALOBFWXNPKOOCK-UXHICEINSA-N 449.621 1.675 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1689993054 UUBPAYYWDOIBOG-HXUWFJFHSA-N 436.541 1.642 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1690032456 BRMNWUWUMJWOJW-KRWDZBQOSA-N 441.557 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1690047558 UDLSQGBPXBLYCI-SFHVURJKSA-N 440.525 1.463 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCN1CC 1690092677 RERXZXRHLWPABU-GOSISDBHSA-N 425.537 1.886 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1690170633 OGVOXFMQZLSUFO-AWEZNQCLSA-N 430.500 1.670 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1690672351 PEOMKXDNEOPODH-UHFFFAOYSA-N 438.536 1.842 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690673385 UXSBCZIKJZSRAL-KRWDZBQOSA-N 441.536 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690722664 REAMHEKGBNIOBI-UHFFFAOYSA-N 447.565 1.031 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690726470 BHOBQDSWDHYKGW-LJQANCHMSA-N 447.609 1.956 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(N3CCOCC3)CC2)CCOC1 1692585808 MVNKSKQYEZDZIJ-AVRDEDQJSA-N 432.569 1.922 30 10 IDEE CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695167739 WJHXSQMKIRUHLL-UHFFFAOYSA-N 427.557 1.847 30 10 IDEE COCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697929382 GMEPKPWSPNNXNM-JOCHJYFZSA-N 427.553 1.857 30 10 IDEE COCCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1698003634 WXJRXOAHBPHNRB-UHFFFAOYSA-N 435.536 1.541 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(OC)CCOC2)c1 1705508221 RQEMEAWSAYJDTF-QFIPXVFZSA-N 427.505 1.676 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1705560390 GMJKTOCVJVDHDD-QGZVFWFLSA-N 433.490 1.517 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705567222 UVSKHJONZQPENS-ZCNNSNEGSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705571186 XPOWTPKEMVBKJI-PMACEKPBSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)N(C)C 1705572198 UBKGDHFWBZEORP-OAQYLSRUSA-N 434.544 1.898 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705587733 HBMKCDPYTCGSET-AUSIDOKSSA-N 425.533 1.705 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CSCCS2)CC1 1705648842 AKYOVIGGUHEZGT-QGZVFWFLSA-N 445.618 1.493 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705899382 QMQMPVISQIUUHA-HSZRJFAPSA-N 435.532 1.420 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705944101 VDQPNPJHOBUTHF-QGZVFWFLSA-N 447.609 1.876 30 10 IDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1706636916 IAMJGFMGBSZAPR-MRXNPFEDSA-N 439.520 1.310 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1706746849 FDUIDTADNPPCRJ-ZBFHGGJFSA-N 431.518 1.738 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 1710330361 SESKKIRKZWQYCY-UHFFFAOYSA-N 449.515 1.725 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCOC1 1711025974 BCPRGOIYXHIRBE-AEFFLSMTSA-N 430.534 1.323 30 10 IDEE CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1711207262 HZDYGRWWCSNOBT-CYBMUJFWSA-N 438.414 1.148 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NCC(F)F)C2)cn1 1711253150 JLSNIERRKDWIEK-INIZCTEOSA-N 440.458 1.925 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CC2)cc1OC 1711774179 AFSVQXIFMRDZQW-DHMKHTPVSA-N 431.518 1.602 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1722293232 BZVNGDASYLVRGY-ZWKOTPCHSA-N 440.614 1.188 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1722293327 CFYLFNOVAOWKMN-ZWKOTPCHSA-N 435.594 1.283 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1722294571 HKNNGEIUYVRURQ-RTBURBONSA-N 436.626 1.056 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1722296075 NIKWXJDFAQIPOS-PKOBYXMFSA-N 431.562 1.620 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1(=O)=O 1722377751 FRNRXJHCJNWOBS-QGZVFWFLSA-N 426.498 1.714 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)CCCO2)CC1 1722448890 BXTCLNXWPCCVCJ-QHCPKHFHSA-N 439.564 1.675 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)NC(C)C 1722469047 SGSSSCSLJRLZFD-UXHICEINSA-N 439.582 1.250 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722476574 AVJOCRXXQXFOGK-HNNXBMFYSA-N 441.374 1.483 30 10 IDEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722686749 IWXJJMIHAUZWHF-UHFFFAOYSA-N 426.521 1.638 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722702369 ISADIWCFSKLMJI-ZLFGVDQTSA-N 447.580 1.883 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1722704812 WZZPORLSHHNNPO-QFIPXVFZSA-N 434.585 1.543 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1722874277 DYMDKWQNTQSFMH-ZIAGYGMSSA-N 428.522 1.251 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1726754170 IFJWFGOUALMGPJ-OAHLLOKOSA-N 435.575 1.820 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCOCC1 1727199132 OWNZGUPZNLGNSV-NRFANRHFSA-N 435.548 1.751 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1727423681 SYAKHJDTZLTBHQ-OTWHNJEPSA-N 427.505 1.688 30 10 IDEE CCSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729286395 CIRNQHBAJHHTMS-QGZVFWFLSA-N 440.577 1.966 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1730946943 QZMDBSVIEDGRRY-NTLWEQJWSA-N 436.532 1.291 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cc(C)on2)c1 1740563369 XEQDZYJFRFTHFD-UHFFFAOYSA-N 435.488 1.817 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740626556 VPHQXTPKBPFKKB-LJQANCHMSA-N 443.573 1.707 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2F)CC1 1740824691 ABLYSPRUXRXSFB-GOSISDBHSA-N 435.525 1.955 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740959979 IHLQSQJEMBQIHT-SLFFLAALSA-N 445.612 1.079 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1741133922 VFRDJDVEPZCWLR-CQSZACIVSA-N 438.504 1.778 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1741209643 CIXNGNARGFHAMN-QAPCUYQASA-N 440.504 1.824 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H](C3CC3)N(C)C)CC2)c1C#N 1742668881 FMAKMZGTXOQYKX-IBGZPJMESA-N 425.585 1.982 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1746523813 BRIZMENHACFDCB-UHFFFAOYSA-N 439.520 1.210 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1 1747998107 FKCJUHXKFKTFSI-MRXNPFEDSA-N 435.575 1.963 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1748657585 FNHWJFLXFXTZQP-QVKFZJNVSA-N 425.514 1.501 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1748766584 SAJPIPQZXGNQAL-SCLBCKFNSA-N 425.942 1.519 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)COCCO1 1748772278 SLBDBIVWAVNYFG-HXUWFJFHSA-N 432.550 1.422 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CC=CCO2)n1 1748971300 KZYQLLISNBQTHM-RTBURBONSA-N 439.520 1.057 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCOC[C@@H]2C)CC1 1748999362 RPUCNVXNXSRLER-NRFANRHFSA-N 438.576 1.641 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749656015 XHNKFMPMDRESJA-CQSZACIVSA-N 447.446 1.063 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749755315 FGDQLYMTXYEJOH-CABCVRRESA-N 432.554 1.233 30 10 IDEE COCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1750106902 CRLIOJJYMSLVBC-GOSISDBHSA-N 433.534 1.351 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1760186371 BXTOQKSKBDAOAZ-SFHVURJKSA-N 437.635 1.611 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1760190202 UFTMEPCDFXYXPO-OAHLLOKOSA-N 443.558 1.369 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760193189 WGQNOBAAJQXMIG-IRXDYDNUSA-N 448.545 1.527 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1760261352 KCLNVDPSUJJKRH-IPMKNSEASA-N 435.594 1.141 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(CCOC)C1 1760287356 PLBIZHRDEYSCLE-HTAPYJJXSA-N 428.537 1.001 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760375685 UCNZZCRDLIAASC-DOTOQJQBSA-N 449.987 1.551 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CC)C1 1760542541 IISSUZWTVMTKFC-GBESFXJTSA-N 437.610 1.836 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1760563559 VWTGNZHLDYHOFQ-UHFFFAOYSA-N 436.559 1.870 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)[C@@H](C)C1=O 1761120788 GELDOQWPBXEHFB-INIZCTEOSA-N 433.520 1.687 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1763033987 ALIYSFALDRGROE-NVXWUHKLSA-N 442.545 1.308 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1764580741 IBDWKXHECPONPL-SFHVURJKSA-N 448.531 1.982 30 10 IDEE CCN(C[C@@H]1COc2ccccc2O1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1765191635 PSSBCXFXAABGEJ-FVGNFYTDSA-N 438.488 1.779 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1766081327 GDYYPDJHGZCORX-QVKFZJNVSA-N 428.468 1.976 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1767504219 ZOZBAGQZTJLSLR-BEFAXECRSA-N 445.321 1.915 30 10 IDEE CCOCc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767829932 HFNKKFWAZXJOHZ-SGRLSNSRSA-N 444.536 1.594 30 10 IDEE CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768286640 YBASGQXPEYWLNG-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1768976450 GNXYTHDQYJIWHR-SFHVURJKSA-N 431.518 1.555 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CCO1 1769490688 FIMLEQNFNFWTFO-HNNXBMFYSA-N 438.410 1.347 30 10 IDEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771273852 GBCCFOSRQMHJII-MRXNPFEDSA-N 437.508 1.313 30 10 IDEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNS(C)(=O)=O)CC1 1772555289 DURGOKLBFHXGIA-UHFFFAOYSA-N 443.371 1.987 30 10 IDEE C[C@]1(CSc2ccccc2C(=O)ON2C(=O)c3ccccc3C2=O)NC(=O)NC1=O 1772791624 BRMXLJGWXZECTJ-HXUWFJFHSA-N 425.422 1.745 30 10 IDEE CC1=CC(C)=NS(=O)(=O)N1CC(=O)N1CCCc2nc(C#N)cc(Br)c21 1851054229 WZIBCRIMMBHCRO-UHFFFAOYSA-N 438.307 1.920 30 10 IDEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n[nH]2)c1 1851500943 KLNKYAIWGABZTD-UHFFFAOYSA-N 431.456 1.980 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H](CN(C)CCC#N)CC2=O)c1 1855746019 ROJLOTCROBPCGA-PKOBYXMFSA-N 432.546 1.369 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)n1cncn1 1856995230 PZEHHOHSXHVFJM-GDBMZVCRSA-N 429.502 1.684 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)C2CCOCC2)CC1 1857297418 QIZYYNFGXMRSBI-UHFFFAOYSA-N 431.514 1.843 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OC)c(OC)c2)cc1 1858964403 QATMRYACRFPTQY-UHFFFAOYSA-N 446.481 1.611 30 10 IDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 1984786342 OJQVDKSTGLIYPS-KGLIPLIRSA-N 427.498 1.988 30 10 IDEE CC(C)(C)OC(=O)NC1(C2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)CC1 2255598019 UWAFEGPYDLXTEI-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255610422 NNGMTWSIJPZWSW-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632933 UJEDVFAKUUVYQV-UHFFFAOYSA-N 438.334 1.322 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2255649339 RYGABZPMNRDQRF-UHFFFAOYSA-N 433.274 1.974 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)n1 2255822766 PJSFBHBFJMICKE-AGGWBTHJSA-N 432.330 1.314 30 10 IDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2255948919 RBTRBWHPGSBEFR-UHFFFAOYSA-N 448.272 1.285 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)[C@H]1OC 2256740131 RUHGPZFRWXBKHE-OAGGEKHMSA-N 440.346 1.940 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2267099369 KCKCMNQBFQUQFH-KFWWJZLASA-N 448.329 1.073 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267116205 NCKWIKRCBBZLIL-SJLPKXTDSA-N 439.369 1.755 30 10 IDEE CCn1cc(C(=O)N(C)C[C@H](O)COCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267178114 XSALHKNREAXNQK-SFHVURJKSA-N 443.353 1.852 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267542486 SGJQVQXWFXRPQI-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2267556772 YZZKTOWLFNFIPS-ARFHVFGLSA-N 448.325 1.943 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267871990 QZLQLCMTXAUGPL-UHFFFAOYSA-N 445.289 1.171 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2268651697 BXLXVLLBQBBLAE-SFHVURJKSA-N 446.353 1.756 30 10 IDEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)s1 2297056464 GJXKWWHMIWMHCJ-QGZVFWFLSA-N 428.514 1.909 30 10 IDEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NC[C@@H]2CCCO2)n1 14157639 NVLDFCOWHADETN-KRWDZBQOSA-N 435.598 1.227 30 10 IDEE Oc1ccc2ccccc2c1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 59502963 AMIUSBMWGRYUEF-HAHDFKILSA-N 435.488 1.850 30 10 IDEE C=CCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCC)cc1Br 66056923 QTFZBTKYGINJOG-CQSZACIVSA-N 425.279 1.908 30 10 IDEE CCC1(CC)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1(=O)=O 425992251 BWFMSYSOHXNACQ-KRWDZBQOSA-N 438.619 1.746 30 10 IDEE Cc1cc(Cn2c(=CC(=O)C3CC3)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)ncn1 426903052 KCEPDFLJQUBTDW-UHFFFAOYSA-N 438.459 1.795 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)C2=O)cc1 427990174 HLOOLGJJNVLITH-RCLMIARBSA-N 446.507 1.388 30 10 IDEE CCOC(=O)C1CCC(O)(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 429051551 XVCWLMUYIVTUCQ-UHFFFAOYSA-N 435.546 1.349 30 10 IDEE Cn1cnc2c1c(=O)n(CCCN1CCN(c3ccc(C#N)cc3Cl)CC1)c(=O)n2C 444763808 FAWUPBRQTTUMCH-UHFFFAOYSA-N 441.923 1.171 30 10 IDEE C[C@]1(C2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CC2)NC(=O)NC1=O 461149356 ILNPGEXBYRBUPF-WZONZLPQSA-N 449.515 1.810 30 10 IDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)s1 467143606 ZXZAUSJYCZAMFK-UHFFFAOYSA-N 442.469 1.981 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(N3CCNC(=O)C3)ccn2)cc1 468943978 MGJBQHBJSPFKRJ-GOSISDBHSA-N 436.497 1.043 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccon2)c1=O 478845413 VLYKNFJILLVNLV-UHFFFAOYSA-N 438.484 1.429 30 10 IDEE COc1cccc([C@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCO2)c1 484821855 OFHMAFOQBMHMGO-MGPUTAFESA-N 429.498 1.834 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 492292232 VVIBMLNEJFIZSN-LJQANCHMSA-N 430.524 1.053 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(CCC(=O)Nc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506580311 VEAXMPNUJRCHKR-NRFANRHFSA-N 449.559 1.742 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 521969385 PAWTTXHGMZRTAJ-HXUWFJFHSA-N 430.505 1.823 30 10 IDEE Cn1cc(N2CCC[C@@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 525012087 VSUCMEUNRUZJST-APWZRJJASA-N 435.488 1.282 30 10 IDEE COc1cc(C#N)ccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 546707677 UQQUGMIOMBAWMR-UHFFFAOYSA-N 440.481 1.109 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 554301936 RVOSTWHTTBAKJJ-ROUUACIJSA-N 433.534 1.167 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 555253610 NGFOCFUPJAKCQK-CABCVRRESA-N 440.595 1.884 30 10 IDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cc2[N+](=O)[O-])c1=O 567302385 XOQYKWFIWMDPRA-UHFFFAOYSA-N 448.298 1.990 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C)c2=O)cc1F 578712623 UMAYLCATJVOVRI-UHFFFAOYSA-N 437.496 1.994 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604000748 AINQOKXTMHJSED-INIZCTEOSA-N 444.516 1.425 30 10 IDEE CON=Cc1ccc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 729458421 AFJLJUXMWWUCDG-UHFFFAOYSA-N 432.282 1.322 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664491 PTCFHOLPHZWALN-DOTOQJQBSA-N 440.566 1.424 30 10 IDEE CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 732707729 FDSTUJIZPYSOLN-MRXNPFEDSA-N 431.924 1.959 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 734292588 BXMDZPPMDQIXJP-HXUWFJFHSA-N 444.444 1.278 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)NS(=O)(=O)N2CCC[C@@H]2C(=O)OCC)cc1OC 735772688 UPJMSGLOMAXASU-PXUDHTSWSA-N 438.502 1.662 30 10 IDEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN(c2ccccc2)CC1 741339249 DAELAKGTDHODFZ-MODMUFLJSA-N 426.473 1.183 30 10 IDEE CCOC(=O)C1=C(COC(=O)c2cc(C#N)cn2C)NC(=O)N[C@H]1c1ccc(OC)cc1 751728776 KFYVYZWOBKFLIS-IBGZPJMESA-N 438.440 1.933 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@@]2(C)CCCO2)C1=O 756084362 MHUDCMGAOASEEG-AECIVBJYSA-N 447.605 1.561 30 10 IDEE O=C(O)C#CCNC(=O)[C@@H]1COC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 757471727 UPXGJSWLOIVXAE-RTWAWAEBSA-N 434.448 1.744 30 10 IDEE C#CCN1CCN(C(=O)CNc2cc(I)cc(C(=O)OC)c2)CC1 760307381 JCMDLDLIKHZFQL-UHFFFAOYSA-N 441.269 1.267 30 10 IDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 767690647 OUKOUDXYIVQZSV-CQSZACIVSA-N 430.473 1.943 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCC2CS(=O)(=O)C2)C1=O 786688167 JBXUUVITTRSZGF-OAHLLOKOSA-N 443.522 1.337 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC 786839887 ACBFODZFJNMCNB-ZFWWWQNUSA-N 435.951 1.565 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1)c1cc[nH]n1 787642258 APACFGWRVUKSSG-UHFFFAOYSA-N 443.460 1.113 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n1 791018837 XYTCSLZAWMTZFM-HNNXBMFYSA-N 443.435 1.592 30 10 IDEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 798364551 MQERUBDNWKOMBJ-SJORKVTESA-N 431.562 1.747 30 10 IDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)n1cnc(C#N)n1 798401806 HDIKSQRFENLBOK-VAYDFKCMSA-N 429.506 1.942 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 799441696 XGEDWHQHSNXMFI-INIZCTEOSA-N 438.509 1.677 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(O)(c2ccccc2)CC1 800787486 DJDVSXNJGBEZIY-SFHVURJKSA-N 447.561 1.285 30 10 IDEE COc1cc(C#N)ccc1OCCOC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 805428833 JHGCNWBUMRCSSV-JOCHJYFZSA-N 449.463 1.965 30 10 IDEE N#CCCOCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 815167827 FHJSHHXRZOCPOE-UHFFFAOYSA-N 447.307 1.557 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1 816748908 WQYPDWXHYWGNEB-KXBFYZLASA-N 432.498 1.374 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)ccc2c1=O 856606064 MVAKUHNHYDFCIO-DLBZAZTESA-N 449.536 1.862 30 10 IDEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c(=O)[nH]c21 916777809 VMMRZGQWSIPKBC-BQYQJAHWSA-N 425.470 1.837 30 10 IDEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 916777953 YWNVZKVZUOSSGT-UHFFFAOYSA-N 435.527 1.847 30 10 IDEE Cn1cc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 916948122 DPNCWTGSBOLYRM-SGQUHAKNSA-N 441.513 1.955 30 10 IDEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COC(C)C)c1ccccc1 1081080173 HBIRXVAPDNRIFT-INIZCTEOSA-N 428.493 1.056 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1128333215 JCVYVRYEEVBETL-UHFFFAOYSA-N 441.347 1.601 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1136851688 KBLQSRFYVFGZON-UHFFFAOYSA-N 427.473 1.739 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cc3csc(N4CCOCC4)n3)C2=O)cc1 1156591586 FOGWPMFNBUWBKT-SFHVURJKSA-N 425.514 1.311 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)COCC(=O)OC(C)(C)C)c1 1264633766 DARJJFLTHKCCIJ-LTGZKZEYSA-N 425.507 1.796 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1286278070 LAGDQVQPHMRHLN-QZTJIDSGSA-N 444.605 1.795 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCCS1(=O)=O 1286364622 HEJTXFCYZUURPN-UHFFFAOYSA-N 425.461 1.651 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286392268 IEQMAKUFZGOZQW-XHSDSOJGSA-N 428.505 1.844 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1286392397 LURNYWTZKAXPLS-KRWDZBQOSA-N 431.543 1.902 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N(C)C1CC1 1286401023 IDODDLURRPWMCI-QGZVFWFLSA-N 425.558 1.904 30 10 IDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286413782 ZHZQRVOVSYZFSH-JOCHJYFZSA-N 426.542 1.076 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286466404 GIQAKMBHXBKQAE-YADHBBJMSA-N 439.560 1.483 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286483345 HLOVLOFHHVYWOI-SFHVURJKSA-N 433.603 1.510 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286709664 ASMIVNLHSGHSAW-ROUUACIJSA-N 445.568 1.404 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1286720724 WDFWXEIOMHOKSH-UHFFFAOYSA-N 436.534 1.524 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286788649 AUCKANVMGLFDKX-DLBZAZTESA-N 427.461 1.294 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(C)C)C(=O)C1 1286789152 PQVDIGNERXKWFS-UHFFFAOYSA-N 440.548 1.484 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC[C@@H](C(F)F)N1CCOCC1 1286959485 GZKXZOJYZSMCKG-CABCVRRESA-N 427.500 1.368 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1291621463 UQUMPDLNKWWRER-SJORKVTESA-N 443.577 1.820 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cccs2)CC1 1300412009 XONPVUTYBJFFMW-QGZVFWFLSA-N 433.603 1.977 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1300487019 DMLGMBBTUQIRGF-QGZVFWFLSA-N 425.518 1.232 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1300577792 BSQPRPDPQGGZQD-WOJBJXKFSA-N 431.606 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1300590466 CDEHROVSDXNRKK-GOSISDBHSA-N 440.573 1.453 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300761333 BCDQOEDXUVWKJN-QZTJIDSGSA-N 443.529 1.108 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnn(CC)c1 1301492859 POLBKLRTLMHNHD-UHFFFAOYSA-N 437.504 1.871 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1301496436 AMKVZBKYUWOORE-UHFFFAOYSA-N 428.497 1.094 30 10 IDEE CC1(C)OB(C2CCN(C(=O)Cn3cc(Br)c(O)nc3=O)CC2)OC1(C)C 1303200722 NWKYGKJISAWHDI-UHFFFAOYSA-N 442.119 1.796 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3C[C@@](CO)(c4ccccc4)C3)C2=O)cc1 1303962738 JGWZFGUKVUWJTD-FPGHNAPASA-N 432.480 1.972 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1313549249 XGPBTNHLJMZBJT-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1313964187 APJPSKDZNZJCMB-HNNXBMFYSA-N 437.504 1.565 30 10 IDEE Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCCS(=O)(=O)c1cccc(C#N)c1 1320147075 HMJWJKLRYXACRK-AWEZNQCLSA-N 440.572 1.230 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1358920278 WEVLMLDQIKDQOT-OAHLLOKOSA-N 448.524 1.294 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358962292 NJKCQEMCGAHMJR-MSOLQXFVSA-N 430.530 1.553 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358965715 ZVBOXRCBVDGZHC-IHPCNDPISA-N 445.589 1.952 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)N(C)C 1358977769 VNBWPVRPKBIVAZ-ZWKOTPCHSA-N 426.471 1.883 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1359018606 WPOBWOLYBSDIAE-PMACEKPBSA-N 430.597 1.968 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359033369 ZMAPJFXCSDNXDR-HXUWFJFHSA-N 438.557 1.539 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccncc2)CC1 1359038165 MMHOMRJSOVRDEP-UHFFFAOYSA-N 435.557 1.663 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2c(C)nn(C)c2C)CC1 1359046604 YGPZBIFZFWJHKI-UHFFFAOYSA-N 446.559 1.628 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1359105417 OCZYSNGAINWBEL-JXOCDABTSA-N 433.553 1.578 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1359126469 QDICDTQLLDUYPL-UHFFFAOYSA-N 441.536 1.965 30 10 IDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1359127160 JSLXHCUWPZOREN-CYBMUJFWSA-N 437.342 1.950 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1359231558 ZIMPHTRHGYCYDJ-MRXNPFEDSA-N 434.566 1.395 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2sccc2C1 1359326580 DJMGIXKZFPIMKJ-UHFFFAOYSA-N 435.575 1.739 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1443821110 OTDICJLIBOBFBM-SJORKVTESA-N 430.977 1.545 30 10 IDEE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)cc1 1453215379 LUIAAWJNMJWEAC-DOTOQJQBSA-N 428.514 1.629 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(F)F 1457817950 HYVUVJXEIPGAIY-CQSZACIVSA-N 446.476 1.501 30 10 IDEE Cc1cccc(N(CCC#N)C(=O)Cn2cnc3ccc(S(N)(=O)=O)cc3c2=O)c1C 1459265606 OCMPCBJOWIPOIB-UHFFFAOYSA-N 439.497 1.608 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1460636124 KDZZSZBQGHIULG-FQEVSTJZSA-N 435.550 1.998 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1=O 1462100190 XEOJQIOEWGYNNT-XMMPIXPASA-N 447.495 1.683 30 10 IDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1463596906 FFAZZOCUPSEUCJ-UHFFFAOYSA-N 430.368 1.790 30 10 IDEE Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N1CCN(C(=O)CC#N)CC1 1465872401 MHZMNSXDULLMKV-KRWDZBQOSA-N 444.536 1.962 30 10 IDEE CC1(C)OC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)O1 1471670304 ANEXZDZWXIMKRI-UYAOXDASSA-N 429.498 1.846 30 10 IDEE COc1cc(NC(=O)C(C)(C)C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1472192317 NLYSFJFRVYBNPW-YEJXKQKISA-N 449.529 1.699 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OCC 1475305250 KBXKWRZUTRCIKW-GFCCVEGCSA-N 437.287 1.863 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1494544790 DPPYWTUVCHLCRG-VQIMIIECSA-N 443.577 1.381 30 10 IDEE CC[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1499640907 VNCUWTALJQYHPE-KWPYODMFSA-N 444.536 1.765 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1504854087 FGOURDGALLQWLI-LJQANCHMSA-N 446.577 1.408 30 10 IDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507577208 PUQVSYUUEMRKRH-INIZCTEOSA-N 440.504 1.598 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1507643495 WBTMMPHWTUYWNT-IRXDYDNUSA-N 427.530 1.527 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 1507715900 JTQKDVWUTYXCAA-UHFFFAOYSA-N 429.594 1.974 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507952637 WZDBAROXBRWIRO-QUCCMNQESA-N 443.596 1.356 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507953153 CUSCUJVMHLEIPF-QGZVFWFLSA-N 431.566 1.571 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1508038809 KTYWTRJWJGTTEB-MRXNPFEDSA-N 434.566 1.328 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NCC)CC1 1508088463 YDHLASOSGYJEBO-UHFFFAOYSA-N 441.536 1.031 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCOCC1 1508517673 LYKMMXSGXUQEKY-UHFFFAOYSA-N 425.537 1.710 30 10 IDEE Cc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1510788156 SYYPYKJHWMTOOJ-UXRKVSLXSA-N 439.476 1.040 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1511264362 OZWYUJOBHZUALB-QQMHEVNUSA-N 449.515 1.447 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1517273491 ZCMNUPXLQVUMBQ-CZIZESTLSA-N 433.476 1.269 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1519520250 BXMTXNMGSONQBD-MRXNPFEDSA-N 444.542 1.896 30 10 IDEE Cn1nc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(Br)c1C(F)(F)F 1525465314 CZSOUFQJSZDQMU-UHFFFAOYSA-N 448.203 1.885 30 10 IDEE CCn1c(CCC(=O)N2CCO[C@](C)(C#N)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 1536619795 SNKXDTYDKSNRHL-HXUWFJFHSA-N 433.534 1.380 30 10 IDEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1I 1538009740 PTBQZXMSPHDWLU-CQSZACIVSA-N 440.241 1.228 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1539210105 AQBBZLQXHIZBPD-WQIZZMQYSA-N 438.550 1.480 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cncn1 1539315486 OKVKXAYBPHQLBO-UHFFFAOYSA-N 441.499 1.430 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539377541 SDNBAWHGAPFIHF-ROUUACIJSA-N 448.593 1.064 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCOC)CC1 1539469484 AVGFYODMYHKWIH-UHFFFAOYSA-N 441.532 1.965 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539621622 RVAXKNCPYZAMAK-PMACEKPBSA-N 444.580 1.508 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539643970 YJWAHMFGTLUGQY-XYJFISCASA-N 427.571 1.266 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1539668821 GQRBLDLAAVMPKH-QGZVFWFLSA-N 437.570 1.104 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CCN(c4ncccc4C#N)CC3)=NO2)C1 1539674932 JUSLJQFROLTHHR-JOCHJYFZSA-N 440.504 1.758 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1539793643 HXRNXWCBDIYLJE-GFCCVEGCSA-N 429.912 1.763 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCNS(C)(=O)=O)CC1 1539831183 DUSHUUSLXIOBSO-LJQANCHMSA-N 427.571 1.414 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3([C@@H]4CCCCO4)CCCO3)CC2)cc1 1540728309 BXKZBQVSFPKEPQ-PZJWPPBQSA-N 433.530 1.509 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1540873330 VCCFPIYLIOGEEZ-MRXNPFEDSA-N 445.593 1.679 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1540873689 GKZWSUIXGIYKAH-UHFFFAOYSA-N 445.589 1.769 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540898980 AKDYCNMNNOLVPG-FUHWJXTLSA-N 449.577 1.604 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(F)cn1 1541673750 BDHIOCMCFYTVOS-UHFFFAOYSA-N 449.494 1.592 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCC(F)(F)C(F)F 1543318378 XWNHVKQRGZLSMH-LBPRGKRZSA-N 442.421 1.880 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cc(OC)cc(OC)c2)c1 1545229474 VCPAFKIFHBTZIL-UHFFFAOYSA-N 430.482 1.869 30 10 IDEE N#Cc1cn(CCC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(=O)nc1O 1545632185 DZRRHEGWKWCSGT-INIZCTEOSA-N 431.880 1.350 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNS(=O)(=O)CC 1545761364 QLFUPMQHNASOLH-RTBURBONSA-N 446.577 1.878 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1547703859 KFUWXWXNNVCVNW-VQIMIIECSA-N 444.609 1.389 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3c[nH]nc3I)C2=O)cc1 1556172243 SGDPHVYBYJFWRU-ZDUSSCGKSA-N 435.225 1.811 30 10 IDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1565034133 CVXLFUGFCYETER-UHFFFAOYSA-N 438.575 1.506 30 10 IDEE C#CCONC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1584287628 VUWBPNLPTONAIV-MLGOLLRUSA-N 429.926 1.416 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cnn1CCC#N 1585910545 DGZLGKICVFYPLK-UHFFFAOYSA-N 449.559 1.801 30 10 IDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCCc1ccccc1 1587473651 JWBDCEGWASHWHJ-INIZCTEOSA-N 428.514 1.356 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1587868787 CUAYLBJLLBKDJW-UHFFFAOYSA-N 430.516 1.498 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1588049251 CXZVAIFWUMFSSI-MRXNPFEDSA-N 445.574 1.313 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1589047862 LNGJNJKXZWEAIT-QGZVFWFLSA-N 449.606 1.049 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1589663299 KOZKFUMOIWVYSC-QGZVFWFLSA-N 425.599 1.429 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1593746448 FMTWUPBKVMLEAH-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1593865233 DEPKNHGLZLGSIA-SFHVURJKSA-N 437.957 1.692 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1594733810 YPYUQJHKDSTUJX-QGZVFWFLSA-N 449.581 1.550 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1)C1CC1 1595054495 KHRURWSCVOAKFB-QGZVFWFLSA-N 429.546 1.743 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](C)C1 1595537495 RYQDLAPXVUTKHE-CVEARBPZSA-N 435.532 1.977 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1595577647 ZMSIBLXLLUNKGU-HSZRJFAPSA-N 441.532 1.772 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C1 1595730870 ZMSKSHNLSRGTMF-IRXDYDNUSA-N 437.522 1.034 30 10 IDEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1597751582 DHBIQDKHVVWPIF-GOSISDBHSA-N 432.546 1.475 30 10 IDEE Cc1nc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)nn1-c1n[nH]c(C(F)(F)F)n1 1627790436 ODGOJBDPJBHJCU-CQSZACIVSA-N 445.409 1.935 30 10 IDEE COc1cc(C(=O)NCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc(OC)c1OC 1631963886 FTARQEQZNOMZCX-QHCPKHFHSA-N 438.484 1.921 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1632077496 BTNIWYQXHVDMFW-OAHLLOKOSA-N 427.954 1.170 30 10 IDEE N#Cc1ccc(C2(NC(=O)c3nc(S(N)(=O)=O)c4ccccn34)CCOCC2)cc1 1643523914 MZJHHZZHGXFMIG-UHFFFAOYSA-N 425.470 1.289 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1643881456 QTIPOKGWXIRGJS-IDHHARJASA-N 447.538 1.346 30 10 IDEE C#CCN(C(=O)c1cccc(-n2[nH]nnc2=N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1645458287 QDDINAJSMQLYMO-UHFFFAOYSA-N 425.493 1.550 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1648275863 PHIZXEUMBGGQHK-ROUUACIJSA-N 443.610 1.957 30 10 IDEE CCOCCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1649659044 LSOSHAUVVARMFL-MRXNPFEDSA-N 425.493 1.861 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3ccccc3OCC)c2)CC1 1650846071 ITZZKMMVOYTKAY-UHFFFAOYSA-N 427.526 1.978 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1651801669 FLQYHAQNTDLYCW-SFHVURJKSA-N 449.573 1.510 30 10 IDEE C=CC(=O)N1CCC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)(c2ccccc2)CC1 1653072685 JKUQQSZTVYPHKJ-GHTZIAJQSA-N 427.526 1.130 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1Br 1661889144 IBYLRNQIVBAVSV-CYBMUJFWSA-N 432.315 1.945 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(C#N)cn1CC 1662775267 BMARZSNJMUGXOC-IFXJQAMLSA-N 438.506 1.414 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1663768431 DJCZLHKPMQLGJD-IAGOWNOFSA-N 439.534 1.251 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1671939309 ORNBWXWYZUYNOR-DLBZAZTESA-N 440.543 1.075 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1684730882 FKQKMKQAHOOYNU-UHFFFAOYSA-N 445.520 1.680 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1687213980 LAZNVMBFUAUUPJ-LJQANCHMSA-N 448.564 1.811 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1690019493 KDDMBSCPTPCGQN-IBGZPJMESA-N 445.520 1.066 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1690059698 VXPCMXGSYPSKQU-QGZVFWFLSA-N 430.578 1.406 30 10 IDEE C=C(Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1690325684 FIJZAFHXKNFUNY-HXUWFJFHSA-N 435.532 1.804 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690380324 KGWUXJLQDWTEOJ-VXPUYCOJSA-N 425.493 1.083 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)[C@H]1CC 1690681120 GWLTYPJXBATYEO-QGZVFWFLSA-N 426.521 1.744 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)C(C)C)C1 1690700508 TVGHDPQWWBXGAO-ROUUACIJSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1690725727 ZXKDPDTVEGYCJR-IBGZPJMESA-N 445.589 1.741 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1C(C)(C)C 1690731532 KYFQNSNVWNYHIX-UHFFFAOYSA-N 449.581 1.302 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)CN(C)C2=O)c2ccccc2c1=O 1695902629 QCBPIQUEKJXIAR-IQMFZBJNSA-N 448.531 1.892 30 10 IDEE CNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696909280 WLYLDUQJAXEZFG-QGZVFWFLSA-N 442.593 1.583 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)C1 1697044703 GOADTXHMNZVNSH-IBGZPJMESA-N 438.532 1.927 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1698492806 FXWYQNVFVOKOEU-BZUAXINKSA-N 428.459 1.785 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1705535003 YDORXDNMQVVWLX-KRWDZBQOSA-N 437.566 1.174 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1705539184 LLUHYMAUPKAPAE-CVDCTZTESA-N 444.580 1.926 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1705566034 LPAYJKVHNRWKMR-XWSJACJDSA-N 436.578 1.698 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705570291 OCSFIPWFQSWTBP-IBGZPJMESA-N 439.545 1.177 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1705631607 KDOQPGZBQRSLBL-UHFFFAOYSA-N 447.465 1.731 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](F)COC)CC1 1705650864 AUGVDADYCGPNHD-SFHVURJKSA-N 447.486 1.947 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2)CC1 1705650987 FULFKMOJMYDJTO-UHFFFAOYSA-N 434.544 1.723 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705667171 JHGFJDTXOBOWOV-CVEARBPZSA-N 432.550 1.263 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1705876269 SUJATCNBFLASAJ-QGZVFWFLSA-N 438.598 1.274 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705900277 XKDMXCLQAFKSJX-UHFFFAOYSA-N 440.552 1.314 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705900414 CFIZPVGWNZAJEM-UHFFFAOYSA-N 449.475 1.272 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(O)c2)CC1 1705905337 RYHWIEDDGKBINS-UHFFFAOYSA-N 433.516 1.598 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1705932985 QCFMXGKKKOYQSC-UHFFFAOYSA-N 444.561 1.540 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@H]1C 1706420132 DOVZFOPYHUPXPU-LJQANCHMSA-N 438.580 1.791 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1706462083 BETIUGUSOFRTOS-JXFKEZNVSA-N 436.582 1.425 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1706746848 FDUIDTADNPPCRJ-HOCLYGCPSA-N 431.518 1.738 30 10 IDEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1707046157 DAHWABQVMRNRGX-RZQQEMMASA-N 449.533 1.027 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1710297163 CLXIWBSEKVCYAW-DYESRHJHSA-N 432.548 1.089 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1712390409 LKCAUXKRZQWZQZ-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)N(C)C 1712541614 BXUCFMUKGPVSML-MAUKXSAKSA-N 428.559 1.024 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)CC1 1722436819 LMGMXQMHJSRPDF-HNNXBMFYSA-N 444.337 1.190 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)COCC)CC1 1722441544 SFCRIDSUPHMZDK-UHFFFAOYSA-N 444.580 1.543 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2nccnc2C)CC1 1722442236 QJTHIZCPGYHOSN-UHFFFAOYSA-N 447.543 1.962 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCn2ccnn2)CC1 1722442257 QXMXOAIESCXKPA-UHFFFAOYSA-N 436.520 1.303 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722458121 DEVGZZTZUIROHS-GDBMZVCRSA-N 444.565 1.170 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722700495 KTBLIXLZXYJNID-UHFFFAOYSA-N 436.520 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C2CCCC2)CC1 1722727447 IRYUOIVHYQTBNA-GOSISDBHSA-N 437.610 1.838 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1722742763 GHUSIFMJQQXNSE-UHFFFAOYSA-N 446.556 1.575 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cs1 1725227927 WQPYRHLPBMKDPB-DZGCQCFKSA-N 437.595 1.654 30 10 IDEE CC[C@H](C)N(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1727084012 BLUPLKQWDMQJGD-MMKMLUHNSA-N 445.612 1.909 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1729231147 HEOKXQCFYHTYCU-ACSYHNTCSA-N 447.586 1.600 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729639618 SASVPNHVZBRFAK-LQAKIXKWSA-N 449.515 1.434 30 10 IDEE COc1cc(C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1729960872 CPMAIQUSWMZYTN-IRXDYDNUSA-N 431.518 1.274 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1730526728 AFKKSSOMLNWPIH-UHFFFAOYSA-N 430.534 1.539 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCSCCCO)CC2)nc1 1731182087 HCKZLUVFJNNUST-UHFFFAOYSA-N 438.561 1.982 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740571948 XRRHUMCWUAFENV-UHFFFAOYSA-N 436.564 1.673 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740622162 VWECIJUWCDWZFQ-CBGDNZLLSA-N 429.546 1.518 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1740638340 GTWNQEHZZDWSFU-SQNIBIBYSA-N 440.548 1.948 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1740671964 SOYCFRGFMXFRRQ-QGZVFWFLSA-N 448.568 1.962 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1740696657 ZZOULFSIJIZVPP-OAQYLSRUSA-N 429.657 1.896 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740958767 UMVDLQJZFJMIAY-JKSUJKDBSA-N 425.555 1.225 30 10 IDEE CCN(CC)C[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1746172045 HAHZIOPWJCBGKI-XOMICKMZSA-N 427.553 1.850 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(O)CCOCC1 1747187360 AFGZMQZPWRDLIN-UHFFFAOYSA-N 444.511 1.693 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1747865367 VLVAWCREASNVAF-JVMRMLDLSA-N 442.545 1.930 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1748755667 AKVLQIASHWITCM-UHFFFAOYSA-N 436.520 1.529 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1749668700 CVXJAYBNINXFFP-PMACEKPBSA-N 425.533 1.922 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)CC1 1749749850 RZHAMYFKMOPPCW-UHFFFAOYSA-N 439.549 1.509 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1750203338 CSNIFAYUZHZIGL-INIZCTEOSA-N 441.517 1.499 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1750385840 BLYXUFVRRZWAQW-ZDUSSCGKSA-N 445.409 1.990 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1751171717 FUBZVOGWIUHZDE-POXGOYDTSA-N 435.575 1.597 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760191686 LRJKLLCCOSYQOL-PGRDOPGGSA-N 446.573 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760217392 AAMXXVZJJPEQDW-FQEVSTJZSA-N 448.527 1.207 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1760259317 KFVSZSDWEQLBPV-VXKWHMMOSA-N 444.624 1.674 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN(C)CCOC)CC1 1760261696 APCPNYXYADSZKJ-UHFFFAOYSA-N 432.519 1.481 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2noc(CC)n2)CC1 1760269176 AXRGYBAFNWXMLU-QGZVFWFLSA-N 441.536 1.326 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1760437817 OVPTVUBDGZJNAI-UHFFFAOYSA-N 437.548 1.927 30 10 IDEE C=CCNC(=O)Cn1c(N(C)CC2COC(C)(C)OC2)nnc1[C@]1(OCC)CCOC1 1760527557 AHBIPOAVFPKCBB-NRFANRHFSA-N 437.541 1.068 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1COCCO1 1760734970 SGVISBSTQXPVBP-SFHVURJKSA-N 425.537 1.974 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1761285261 YLEHTHWXWGGIBX-LEWJYISDSA-N 434.516 1.806 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2Cc2cn(C3COC3)nn2)cc1C 1761801964 QQDKVZRYWVAWER-CQSZACIVSA-N 449.519 1.954 30 10 IDEE CN(C)CCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1766933686 FIHADCNLYPWGRJ-OAQYLSRUSA-N 440.483 1.614 30 10 IDEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)n1 1769045572 BRBDIFFNQLEKDI-UHFFFAOYSA-N 448.535 1.624 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1769158563 PSYBAJCONMORFC-QHCPKHFHSA-N 447.499 1.689 30 10 IDEE COCCOCCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771269425 UFGFSKYIQUJZDQ-HNNXBMFYSA-N 428.493 1.370 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1771443110 CARJHWAHKQAMBQ-SGOHWPKCSA-N 445.549 1.087 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCCO2 1772564698 SVIASDUUHAWKRM-GOSISDBHSA-N 449.533 1.053 30 10 IDEE CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1772864671 SSNHLHFZVBCMSY-UHFFFAOYSA-N 448.535 1.521 30 10 IDEE CC(=O)c1cc(C#N)c(N(C)C(=O)c2ccccc2N2CCS(=O)(=O)CC2)nc1C 1851442460 QFMIZVSUBBTPFO-UHFFFAOYSA-N 426.498 1.976 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 1852201500 XFOVCFOXSXQGOI-LJQANCHMSA-N 425.533 1.800 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2noc3ccc(Cl)cc23)C1=O 1854175324 MSJBPGBZHCEGRZ-IAGOWNOFSA-N 430.892 1.870 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(Cc3nnc([C@H]4CCOC4)o3)CC2=O)c1 1855922598 VHSWWCAJAYPKPZ-AWEZNQCLSA-N 429.864 1.778 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CCC1 1857325975 CUSBEUMDCMHWCV-GOSISDBHSA-N 431.514 1.310 30 10 IDEE COc1cc(C)c(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1858337217 XYYWCDJMSOKEJH-QGZVFWFLSA-N 449.554 1.925 30 10 IDEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862561436 QEDOGADFCSQZOX-IBGZPJMESA-N 437.452 1.770 30 10 IDEE N#CCCN(CC(=O)O)C(=O)c1c[nH]c2c(F)cc(I)cc2c1=O 1866447080 VCZHBPDPSFCKKV-UHFFFAOYSA-N 443.172 1.712 30 10 IDEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868794747 FZYIVQHWWHOSAS-OALUTQOASA-N 445.589 1.610 30 10 IDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1870098345 ZRCLSXMXJBTJAO-UHFFFAOYSA-N 427.402 1.806 30 10 IDEE N#Cc1ccc(Cn2nnc3c(=O)n(CCCN4C(=O)c5ccccc5C4=O)cnc32)cc1 1870101856 MLLFAUGBKZURKD-UHFFFAOYSA-N 439.435 1.594 30 10 IDEE C=CCn1c(C(=O)NCc2ccccc2Cl)cc2c(N(CCO)CCO)ncnc21 1873591049 BMRCJEZIAQFBDS-UHFFFAOYSA-N 429.908 1.992 30 10 IDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891520974 PIOHJQWSMVOXQB-MRXNPFEDSA-N 432.440 1.586 30 10 IDEE CO[C@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2124520137 RHFKVOSVPDQNGH-GJZGRUSLSA-N 448.329 1.739 30 10 IDEE CO[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)[C@@H]2COC[C@@H]12 2172781112 ZLGRXPSZAPLPNG-BPLDGKMQSA-N 425.132 1.993 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2255650471 PKEJLRQOJRLXEP-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255698940 UHJQHJCDWMJJJD-CQSZACIVSA-N 435.330 1.338 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255817872 CELCKWILDLIJBT-UKRRQHHQSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255818230 IFCYCKSBRANBFD-CABCVRRESA-N 436.314 1.848 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255862068 PUOCHRFHSFBBAA-HOCLYGCPSA-N 435.330 1.726 30 10 IDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2256027838 PCJBGABJCBCCJH-UHFFFAOYSA-N 437.346 1.228 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2256616885 FRDYBQDKBGXCCN-KRWDZBQOSA-N 432.326 1.761 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2257494000 HPZSFIRIDZWJNS-OAHLLOKOSA-N 435.330 1.305 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267216639 VHCUTCQBPBTOPP-DLBZAZTESA-N 447.341 1.481 30 10 IDEE C#Cc1cccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 2286051035 ZAJOXIZZLZTBSC-IBGZPJMESA-N 430.482 1.555 30 10 IDEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1cccc(OCc2ccccc2)c1 2330742727 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432.477 1.160 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 466578745 TYNZOTSZSIVPHB-NJDAHSKKSA-N 430.512 1.942 30 10 IDEE COC(=O)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1C 469601165 REXRCLUDJXBZBU-UHFFFAOYSA-N 431.474 1.222 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CCO)Cc2cc(Br)cs2)CC1 494289709 DXDJXJMYVLQHTK-QGZVFWFLSA-N 443.411 1.997 30 10 IDEE COC(=O)C1(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCS(=O)(=O)CC1 500189202 LSFMPXZZHMUYCR-UHFFFAOYSA-N 429.454 1.596 30 10 IDEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 507783698 FVSDAFVWKICLPV-UHFFFAOYSA-N 437.522 1.072 30 10 IDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508945286 KCCFTMRYTXWOGB-UHFFFAOYSA-N 436.358 1.822 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)n1 510627955 JOKMEWSLTCPUFH-UHFFFAOYSA-N 438.410 1.828 30 10 IDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2cc(C#N)cn2C)c1 513343540 OITJLBIYHWLJCD-UHFFFAOYSA-N 425.308 1.676 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@@H](C)C#N)C3CC3)CC2)c1 532818834 WFJYVIOCMNXUQV-INIZCTEOSA-N 432.546 1.346 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 540338235 MOLHGNZQYITRLL-QFIPXVFZSA-N 425.577 1.374 30 10 IDEE CCn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555033120 WUTRRRRRBZWFPM-MRXNPFEDSA-N 448.549 1.405 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CC3)c2=O)cc2c1OCCO2 590998728 NIRZIPSXTLUFHC-UHFFFAOYSA-N 441.509 1.052 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 619510225 FNOWMZMDQVMCRD-UHFFFAOYSA-N 433.516 1.452 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)CCN2C1=O 675599857 CTIAJPPKYDFDSZ-HXUWFJFHSA-N 430.464 1.520 30 10 IDEE CCOc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)ccc1OCC(=O)OC 728762725 ZJEJHYZENPWAOG-UHFFFAOYSA-N 432.454 1.769 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1C[C@H]1CCCO1 730138814 NGWZEHXTFALCRX-QAPCUYQASA-N 434.562 1.874 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 730250861 BRHXTQBMUDGOON-CQSZACIVSA-N 436.534 1.488 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(Cl)c1OC 730439808 BJUHNYYHZJYQTK-AWEZNQCLSA-N 431.901 1.786 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)c3cc(C#N)c(SC)nc3O)CC2)cc1 732924559 YFCNRIKAUAWQOT-UHFFFAOYSA-N 427.530 1.941 30 10 IDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 733202336 QFPPOXMGMAAUGZ-GOSISDBHSA-N 432.546 1.727 30 10 IDEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 741060578 MUCNYUALYFHBKY-SHUBJWRZSA-N 442.563 1.398 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)s1 746108625 CYEMOYHASFFVTL-ZCXUNETKSA-N 440.547 1.311 30 10 IDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752157286 KROROSAUEUVGEU-AWEZNQCLSA-N 435.527 1.558 30 10 IDEE C#CCN(C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774168736 ZHYOVOZXLRDLQX-OAQYLSRUSA-N 432.590 1.156 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 783941279 CYLYAAFFHHSLCB-UHFFFAOYSA-N 447.900 1.990 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)n1 788330271 FWCPWDLNZGVMII-MRXNPFEDSA-N 430.486 1.145 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)n1 788567445 DMYPUJYSUDRQPY-UHFFFAOYSA-N 431.518 1.737 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2(S(C)(=O)=O)CCCC2)C1=O 795182393 FMNXJRWPIVFPQH-MRXNPFEDSA-N 448.570 1.983 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)OCc3cc(O)n4ncc(C#N)c4n3)CC(=O)N2C(C)(C)C)cn1 796424351 LPBYAIBMSCRCBF-YJBOKZPZSA-N 437.460 1.472 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@]2(CCCOC2)C1 804129844 GWDZUXOHALVKIU-UWJYYQICSA-N 435.546 1.692 30 10 IDEE Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806906450 CJXIMUCKAQNNEX-QZQOTICOSA-N 439.516 1.957 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 809886213 BXXCIWAOARUUHB-INIZCTEOSA-N 446.552 1.879 30 10 IDEE C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 811528320 JKKRZRGYXFLTLO-MKBNYLNASA-N 446.451 1.141 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856590001 PYTQQRVSWQTCFP-OAQYLSRUSA-N 441.507 1.931 30 10 IDEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)cc(OC)c1 1084248001 QRRZJWWUUFVTAN-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cn1c2c(cc(C#N)c1=O)CCC2 1166896629 GNTSMQOJAHUXGY-UHFFFAOYSA-N 440.525 1.438 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OCC 1171431402 XYKGBYYFJMDMLE-ZETCQYMHSA-N 445.744 1.962 30 10 IDEE C#CCN1CCN(C(=O)CN2CCOc3ccc(CNC(=O)OC(C)(C)C)cc32)CC1 1175388725 CQHNWUDFDVULJZ-UHFFFAOYSA-N 428.533 1.688 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286398259 WSOVUSBWPZAIBE-MRXNPFEDSA-N 448.520 1.538 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1OC)C1CC1 1286738115 QKZZISDJMRVOBH-JQHSSLGASA-N 439.582 1.581 30 10 IDEE CC1(C)COCCN1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1289045277 QQSHFHKSJORIOI-INIZCTEOSA-N 431.928 1.833 30 10 IDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1297515289 BNNXREJEHFVJDZ-VZCXRCSSSA-N 435.488 1.816 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1298283512 FZMBRCZTRWYMQD-IBGZPJMESA-N 439.545 1.975 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1CCCNS(C)(=O)=O 1298286098 PYKKSRYJOCNTIZ-UHFFFAOYSA-N 439.545 1.711 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300274077 UHVRWXBBAJITFW-FPXQBCRKSA-N 425.555 1.074 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1300310717 YZTGCCQVKNKRHP-IEBWSBKVSA-N 431.562 1.734 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)C2CC2)c1 1300332779 NVPSKWLWKCYGQP-JXFKEZNVSA-N 449.559 1.768 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Br)cc1 1300430033 FXIHVGYBGGAXDG-CYBMUJFWSA-N 440.367 1.963 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc2c(c1)OCO2 1300666318 WYKKNRZUURIDFG-INIZCTEOSA-N 427.461 1.123 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1300689145 QFFZOXZKEHUYAB-HSZRJFAPSA-N 425.533 1.879 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300732701 DGENMOMCSDGNHF-HXUWFJFHSA-N 441.517 1.323 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1300815089 ZMLAWOWTCRUOGK-KDDVOAFDSA-N 439.520 1.671 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301194634 MNUOMTBHGCRNII-UHFFFAOYSA-N 426.525 1.344 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301514752 MPFLUABHRDWTAE-MAUKXSAKSA-N 433.484 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC(C)(C)[C@H]1C 1301568185 PWRMERZZNZNWOL-OAHLLOKOSA-N 448.549 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1C(C)(C)C 1301595836 BRXCAAKZAUJKCG-QGZVFWFLSA-N 425.599 1.335 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1301608309 ZWGGRTWVIXVLGG-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1301799269 BMRDWTNJMNDIFQ-KRWDZBQOSA-N 428.541 1.865 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCOCCCO)c1 1302987244 NXSDRAMNKPHURF-UHFFFAOYSA-N 439.520 1.210 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1303322053 LMEJKDOJRXZKST-UHFFFAOYSA-N 439.520 1.622 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccco2)C1 1303934032 BTIIWSMZJQJIPP-OAQYLSRUSA-N 425.493 1.667 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCc2ccco2)n1 1304754667 QLCHRXJZJKAFGA-HXUWFJFHSA-N 426.456 1.491 30 10 IDEE N#C[C@]12CN(CC(=O)NCc3cccc(OCC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1308128579 RSQHNJLXYHQMCO-WMLDXEAASA-N 431.436 1.114 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2COC)c1 1308149394 QUYBVTQGYVCJIH-GOSISDBHSA-N 430.505 1.884 30 10 IDEE COc1ccc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1C#N 1311119886 AYQIARGTTSHOBM-GOSISDBHSA-N 437.504 1.984 30 10 IDEE CN(Cc1ccco1)Cc1ccccc1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1312032177 GUWAWJLVLUBVCY-UHFFFAOYSA-N 436.472 1.545 30 10 IDEE COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1315798051 HFKIPVFXGQNEID-ZWKOTPCHSA-N 439.520 1.089 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358907955 HHWIUFMUNBKOJV-FQEVSTJZSA-N 449.519 1.066 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(N)=O)CC1 1358928989 PRAVDSUXXBNKOS-UHFFFAOYSA-N 436.564 1.957 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1358929522 BUOWHLIGUFTPDM-SFHVURJKSA-N 429.546 1.590 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@H]2CCOC2)cn1 1359015461 UMBPDACCOXQXKW-BJLQDIEVSA-N 428.537 1.862 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2F)C1 1359023176 CDZZZVIARDMGDS-IEBWSBKVSA-N 440.523 1.981 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)CC1 1359036550 ZEPLRVLETAMYME-KRWDZBQOSA-N 449.527 1.456 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCOC2)CC1 1359039616 OTSTZRXRWLKJLV-JOCHJYFZSA-N 427.574 1.785 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1CC 1359243475 SSIRXVQYPMMNRL-UHFFFAOYSA-N 435.580 1.925 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1359280693 BBBFEKNHKLQDGO-IBGZPJMESA-N 440.548 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1359294268 PENAAMOYJVTBKH-UHFFFAOYSA-N 442.545 1.781 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359298566 DOANQCVQKPJMFY-INIZCTEOSA-N 427.509 1.666 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(COC)o1 1359300098 UDOAZGLGRVZMPG-HOTGVXAUSA-N 428.493 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1359333301 TZUDJSCHCUEOIZ-UHFFFAOYSA-N 432.612 1.481 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359341297 RTRLFNJGNZBFDL-HXUWFJFHSA-N 432.550 1.887 30 10 IDEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)CC1 1444338091 PDUYGCKCJCDFOK-UHFFFAOYSA-N 431.514 1.747 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)C2=O)cc1 1463129971 SOTAUXYTVLXSGP-ROUUACIJSA-N 444.513 1.189 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)[C@H]2C1 1471264454 LPDOAPNXDMNQLD-QZTJIDSGSA-N 426.521 1.898 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1471810468 YTMHEJMCAOZULY-IRXDYDNUSA-N 425.526 1.762 30 10 IDEE Cc1cc(O)nc(N2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)n1 1471910672 BGBYGQDASZHZCF-UHFFFAOYSA-N 432.278 1.852 30 10 IDEE N#Cc1cccc(CN2CCC(NS(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)c1 1475445603 CGPWEKITQJZFEC-GOSISDBHSA-N 425.576 1.267 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1501194466 MLMIIHQHNLVDPR-FXAWDEMLSA-N 437.548 1.500 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1502238854 HIRYUBQJJQEPJM-AWEZNQCLSA-N 428.884 1.996 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1(C)C 1504505515 VXAOIDAJQKHKTA-QGZVFWFLSA-N 432.550 1.617 30 10 IDEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1504662423 VYGVDOGFJDLMEG-UHFFFAOYSA-N 442.501 1.480 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1Cc1ccc(C#N)o1 1504964396 HSSZLZSVDKUVRV-OAHLLOKOSA-N 430.509 1.868 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1507536558 CRPLZCNWNKQNTL-HOTGVXAUSA-N 431.566 1.199 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1507572257 DLQMXCWDTGYCQB-UHFFFAOYSA-N 426.496 1.818 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 1507753525 OFETXRPAWRCVKT-UHFFFAOYSA-N 446.621 1.316 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1)C1CC1 1507992311 BEDROEZFEFLZKX-XLIONFOSSA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccsc1 1508076175 ZYVVSSAGPPXBJN-UHFFFAOYSA-N 435.517 1.921 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1508142734 GEEKTLBFLGNSMS-UHFFFAOYSA-N 439.582 1.889 30 10 IDEE CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1512646495 HRCPSDGPUIHWPX-DKXUYOFUSA-N 446.577 1.793 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CCO1 1517533239 DUSNSBFCEKANRP-LJQANCHMSA-N 434.504 1.363 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1519530648 MKJXQICTWWAMLV-HXUWFJFHSA-N 446.508 1.930 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1539222729 XFFOQPAISQOMRH-CEXWTWQISA-N 435.594 1.283 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCNC(=O)c1cc[nH]n1 1539405809 MDTAVETVJPEAIH-UHFFFAOYSA-N 444.499 1.732 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)c2ccccc2)CC1 1539429668 BCECFANKTHAAQQ-DEOSSOPVSA-N 438.576 1.822 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1539556274 ALESCMFXTSBHNG-CRAIPNDOSA-N 439.607 1.499 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1539642954 KEOZHPHLSDUGRX-CTAFRAEOSA-N 430.553 1.971 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4n(c3C#N)CCOC4)c2)C[C@H](C)O1 1539995366 ADQKZNRGCJZMEM-KBPBESRZSA-N 445.501 1.335 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1540170411 NVFDDNLHHKQNHZ-CVEARBPZSA-N 427.596 1.685 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1540862338 ZFOCNOPQGIRXFU-QGZVFWFLSA-N 448.474 1.575 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540872186 GJOKROKSEMDKNM-INIZCTEOSA-N 437.953 1.448 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc(C(F)(F)C(F)(F)F)s1 1543981623 WGJDDWXBRIKCLW-UHFFFAOYSA-N 441.363 1.869 30 10 IDEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N(CCO)CCOCC(F)(F)F 1545911826 SFMSPYOIXBUBFD-UHFFFAOYSA-N 443.291 1.845 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)C[C@H]1O 1554545938 OQKUTTAIDMPFCG-WOJBJXKFSA-N 439.516 1.994 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C(C)C 1555106798 BCUSYQUBKKJUPS-MRXNPFEDSA-N 428.493 1.367 30 10 IDEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1558656790 AKWFFFZLKJCLMO-LIRRHRJNSA-N 443.481 1.360 30 10 IDEE C#CCNC(=O)C1CCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1559784791 GUUWAHFQZVZQMG-LJQANCHMSA-N 437.462 1.628 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3c(CC(N)=O)cccc3C2)CC1 1560062098 CASDARQGXMQFCI-HSZRJFAPSA-N 449.530 1.621 30 10 IDEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1563000885 QHFRVDZBBATBPV-VXGBXAGGSA-N 427.445 1.274 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)C1 1564873282 CBXLQXYLQWFKJF-MRXNPFEDSA-N 427.505 1.817 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 1565590257 UNEGSXHYDHBMEZ-KRWDZBQOSA-N 440.610 1.307 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1587392648 QJOAJZFODBGLBQ-HZPDHXFCSA-N 430.530 1.745 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1587765470 GYEIMQNAAVDPKW-YADHBBJMSA-N 444.624 1.817 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1587922209 VSNMWGBOQPCCBE-HSZRJFAPSA-N 440.548 1.668 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1587989033 FLIYRQBRVUUEHF-PMACEKPBSA-N 443.573 1.151 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1588620608 ZARZODGNZXCPMD-UHFFFAOYSA-N 440.529 1.316 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589547245 TUTGEQZWVXXQJR-LMMKCTJWSA-N 425.599 1.976 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1596985714 WEHQNGQIZNOHGY-IRXDYDNUSA-N 426.498 1.981 30 10 IDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1611803771 DFYCIXUGLGRSOF-DNVCBOLYSA-N 440.545 1.633 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cn2cnc(C#N)cc2=O)c1 1614569402 BRAOGCWIWMQLQC-UHFFFAOYSA-N 447.517 1.571 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H](N4C6)[C@]2(O)[C@@H](O)[C@@H]1[C@H](OC(C)=O)[C@H]73 1615811890 FWYGVCOTAAEFJY-RZALLGQSSA-N 429.513 1.021 30 10 IDEE biogenic CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3ccn(CCC#N)n3)CS(=O)(=O)[C@@H]2C1 1618206373 XSNSVGJUISCMIX-RBSFLKMASA-N 437.522 1.405 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)C1 1620347948 HPJMYSPVFJEAHB-NRFANRHFSA-N 425.468 1.871 30 10 IDEE C#CCN(CC(=O)N(CCN(CC)CC)[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1623284679 UCGZHWPCBXIOHI-QGZVFWFLSA-N 429.583 1.214 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c1 1626091647 ABQJTWRYRWFTIS-UHFFFAOYSA-N 432.527 1.826 30 10 IDEE C=CCN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1627255200 GNJRJRYBQHWWAK-CTNGQTDRSA-N 435.590 1.701 30 10 IDEE C=CC1(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CN(C(=O)OC(C)(C)C)C1 1628699147 CKLJSUZTLLXHJB-INIZCTEOSA-N 427.567 1.131 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 1629889386 RQSZHKPVEMIQAF-NJAFHUGGSA-N 426.922 1.009 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)CC1 1632623627 GLNFAHORXOBSSB-OAQYLSRUSA-N 434.899 1.646 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)N3CCOCC3)CCCCC2)cc1 1637420386 HPLZYBVKVGGRBW-UHFFFAOYSA-N 435.546 1.442 30 10 IDEE CO[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)s1 1637512769 FJLDGDHNOPYHAV-LBPRGKRZSA-N 425.264 1.416 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 1639968293 FMKQUCBJXCKKGX-DEOSSOPVSA-N 437.496 1.931 30 10 IDEE Cn1ccnc1[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 1640237715 IGYOZEOOHWHBSJ-LJQANCHMSA-N 445.451 1.754 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)OC(C)(C)C)ccc1F 1645393371 LVSGSKWUVIUGCO-HNNXBMFYSA-N 428.482 1.473 30 10 IDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3cccc(COc4ccccc4C#N)c3)C2)cc1=O 1647906930 DNRVVLQBYDJKGF-LJQANCHMSA-N 445.479 1.945 30 10 IDEE Cc1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1I 1648787762 WZJOVMXQEJKGBZ-UHFFFAOYSA-N 436.209 1.431 30 10 IDEE O=C1CN(CCNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCN1 1681276389 CBCPTWBPTPEJIJ-RKDXNWHRSA-N 438.319 1.231 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCCNC2=O)cc1 1683048201 GGBRRXRTXZZYRA-INIZCTEOSA-N 434.504 1.688 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1689945507 FNARFTHBUBAZCU-KGLIPLIRSA-N 433.534 1.338 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1689965693 BHPGUOHEYHFIJL-SFHVURJKSA-N 440.529 1.277 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1689987731 BKHKBFPEHHWLLJ-RBUKOAKNSA-N 442.589 1.617 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1690003680 UTCLLVNQEGGSOQ-NQIIRXRSSA-N 434.562 1.359 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2occc2C)CC1 1690138342 ZIXPYBPQDVUILV-QHCPKHFHSA-N 441.532 1.846 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCNC(=O)C(C)C)CC1 1690140003 HXFOFDROJWLSMD-UHFFFAOYSA-N 436.560 1.992 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)OC)CC1 1690140279 SYGRBZVIQYTLKO-INIZCTEOSA-N 441.532 1.963 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C 1690174800 KLUZEXWDRUOLFZ-QAPCUYQASA-N 427.530 1.824 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690317185 UJIMETOEHAPXNM-MRXNPFEDSA-N 425.555 1.007 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1690674269 VICCEXVDMPGVSI-KRWDZBQOSA-N 439.545 1.909 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCNc1ccccn1 1694734640 IWVYADJSKXZCQC-UHFFFAOYSA-N 434.552 1.978 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1697189992 IXUFZRXIRRULGO-KGLIPLIRSA-N 426.468 1.798 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cnn(C)c1C 1698170790 WCYIIYMBCPIMPD-QFBILLFUSA-N 428.541 1.269 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccn3)nnc2N(CCC#N)CC2CC2)C1 1698310839 BXKHJNIYSNRZGM-KRWDZBQOSA-N 429.550 1.752 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705566719 QQVJAYANCSAERX-QGZVFWFLSA-N 431.566 1.094 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1705632547 SZPMEYTUEZBANX-QFIPXVFZSA-N 436.604 1.946 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCSC2)C1 1705661432 BGYFGCGCCCDUOJ-MAUKXSAKSA-N 426.633 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705903668 PQRQJQIWYLNINV-SFHVURJKSA-N 431.562 1.823 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCC2CCOCC2)n1Cc1ccc(C#N)o1 1706858808 NWYGCOOQZWKBKG-AWEZNQCLSA-N 436.538 1.654 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708535726 AGLHVLSEODOCMM-BSBNDGSWSA-N 443.552 1.623 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCOC1=O 1710731130 HNFBCXZEWBJBKH-UHFFFAOYSA-N 440.508 1.250 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C 1712487441 XAFJIYLRUDSQFU-JRGCBEDISA-N 440.548 1.514 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@H]1CCOC1 1722380066 BNOQZVQHLZOVFL-KRWDZBQOSA-N 432.484 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1722390736 UBDWPGHSIBDJMA-INIZCTEOSA-N 425.518 1.047 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1722403379 ZHVPOUZPDGVRAD-KRWDZBQOSA-N 441.561 1.641 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC=CO2)n1 1722428924 CVDVDRGAWIQVRZ-UYAOXDASSA-N 426.521 1.957 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCn2cc(Br)cn2)CC1 1722435011 DPAZLJRZNNNDDH-UHFFFAOYSA-N 441.337 1.755 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1722442626 WVXNOGCLWYBSGV-UHFFFAOYSA-N 449.559 1.206 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC1 1722449980 XBJYMBZMNKURNM-KRWDZBQOSA-N 436.516 1.797 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1722680053 VGJZIHRBVLQFGB-HKUYNNGSSA-N 438.532 1.921 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(C)cc1 1722692245 XWJALHGJWWIZFC-AEFFLSMTSA-N 446.577 1.840 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1722739988 ZNIUPWPGLMTZGY-HZPDHXFCSA-N 429.612 1.767 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1nnn(C)n1 1727236860 NUUYARZMJLORTK-AEFFLSMTSA-N 448.535 1.512 30 10 IDEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCOC1 1729952557 GJLMKIJUOQUIMF-VGOFRKELSA-N 440.504 1.236 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1730474182 MQTSXKRZKCPLFQ-AVRDEDQJSA-N 440.504 1.107 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(SC)CCOCC1 1730871814 BJEUTIHPOPWOFJ-HOTGVXAUSA-N 425.555 1.643 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1731188144 BSJGPVBDQSWEPS-IBGZPJMESA-N 438.513 1.684 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1740548921 CFRGRDDVXJOKDH-YJBOKZPZSA-N 430.530 1.732 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1740616688 FNTSBDJPPUXGSB-GDBMZVCRSA-N 446.520 1.674 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1740622517 ZAOWKDGGPLIDMD-GOSISDBHSA-N 429.546 1.784 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1740661826 KERZDMISHUGZHR-AWEZNQCLSA-N 440.570 1.215 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC2CC2)CC1 1740689759 CSZSCCWYUUEFDL-KRWDZBQOSA-N 440.523 1.839 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1740899304 KQFQIDNTNBFVIS-XLIONFOSSA-N 441.598 1.565 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740903474 CKHUCFUHSNMFEV-KRWDZBQOSA-N 430.534 1.632 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740999250 BKUBEPIOPMYGKV-MRXNPFEDSA-N 438.623 1.968 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1741907411 ZTIACWVPZMWYIG-YJBOKZPZSA-N 448.549 1.202 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cs1 1742590621 AEWRTVWWRKMENJ-QGZVFWFLSA-N 425.518 1.418 30 10 IDEE Cc1nc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C2)n1 1742672615 TYXAJWRTSVNHKV-INIZCTEOSA-N 437.508 1.979 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1747366768 YYFZJTVBPBLVBF-LJQANCHMSA-N 428.493 1.107 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748638034 IEOSZYUSGVPTQE-OKZBNKHCSA-N 425.537 1.883 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748811120 BXXIUHBPTKTYNM-QGZVFWFLSA-N 427.534 1.495 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748812818 ZYUBJQIENIXBPZ-UZLBHIALSA-N 430.534 1.177 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748815786 UBOXBXXEQJAKOZ-IKGGRYGDSA-N 433.578 1.682 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1cccs1 1748948527 QBHNRWMHZLYJKU-OAQYLSRUSA-N 440.529 1.981 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1(C)C 1749220759 FRFQPHQSUQIGGK-AVRDEDQJSA-N 427.505 1.741 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749358151 GAYOFLROUDOWFX-MRXNPFEDSA-N 438.540 1.813 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749406756 NYTQVFGSAVXXLX-UHFFFAOYSA-N 444.580 1.832 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749756178 UHKPNFFFBFKYRL-MRXNPFEDSA-N 443.577 1.522 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1750008494 OOCCHKXLAFVFLK-GUDVDZBRSA-N 436.557 1.088 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750172924 XKAKDLCTWUQUSM-RWNPKEDZSA-N 433.472 1.568 30 10 IDEE CS(=O)(=O)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1750207130 BJINUKSWTXMWBX-ROUUACIJSA-N 445.545 1.779 30 10 IDEE CC[C@H](C)c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752626146 SSMAMLPNQHWOHA-YSRXLGAZSA-N 443.552 1.623 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C1CC1)N(C)C 1760165040 HRSDOPPLJYKOCB-KRWDZBQOSA-N 429.594 1.956 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](SC)C(C)(C)C 1760174682 GZNXALSUQMSVBY-CABCVRRESA-N 429.612 1.458 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2ccccc21 1760249250 IUYIHMSBVBPKJS-OALUTQOASA-N 428.558 1.996 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760286155 DGRAIXUKVBWUOF-IPJJNNNSSA-N 449.621 1.454 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2CCOC2)CC1 1760514926 ORNPEVPTULIAKS-KRWDZBQOSA-N 439.520 1.481 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760540486 JJZKWVWYQJXDLT-WBVHZDCISA-N 440.504 1.723 30 10 IDEE Cn1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC=C(Br)C2)n1 1767532601 UUZYNHMIIBZDKO-UHFFFAOYSA-N 426.282 1.877 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)CC1 1767690767 MQTKXJFBLBCOFA-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768823688 WMYMCTBTWWDYOO-CZIZESTLSA-N 444.536 1.907 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)C 1770216815 MXLTWXSWKLRLMO-HKUYNNGSSA-N 442.568 1.898 30 10 IDEE COC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1770958806 UYKKLUNCRXKIJC-VHJGWARJSA-N 446.552 1.633 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)N3CCO[C@@H](C#N)C3)c2C)C1 1848513925 IZBWFPQRSDLRKR-CABCVRRESA-N 427.427 1.833 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCCN(C3COC3)CC2)[C@H]1c1ccc(C#N)cc1 1849020220 MONOIZIQOPTOLC-YADHBBJMSA-N 442.585 1.885 30 10 IDEE Cn1ccnc1S(=O)(=O)C1CCN(C(=O)C2CCN(c3ccccc3C#N)CC2)CC1 1851829201 PEFBCHMOEOVDFY-UHFFFAOYSA-N 441.557 1.973 30 10 IDEE CCc1nc(N2CCN(C(=O)c3cnc4c(c3)c(C#N)cn4C)CC2)c2c(n1)c(C)nn2C 1852132913 YCAQTFXJGPJESB-UHFFFAOYSA-N 443.515 1.955 30 10 IDEE N#CCCN1CC[C@@H](N2CCN(C(=O)COCc3nc4ccccc4s3)C(=O)C2)C1 1855039348 QPYKXWZBICWCIO-MRXNPFEDSA-N 427.530 1.472 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1 1855711862 IVPJXFBPODMALS-YJBOKZPZSA-N 436.509 1.199 30 10 IDEE C=CCNC(=O)[C@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516383 HINRTSPUIZYYJZ-KRWDZBQOSA-N 433.530 1.473 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1ccc(O)cc1 1870355546 AJIIFMOFVAJXJS-UHFFFAOYSA-N 441.528 1.654 30 10 IDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC(COc3nccnc3C#N)CC1)CS2 1892016870 SXPHNPPJOIDZEH-OAHLLOKOSA-N 426.502 1.253 30 10 IDEE Cc1ncc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cc1C#N 2174785841 CVJAXAJVHBMYRZ-OALUTQOASA-N 430.486 1.624 30 10 IDEE Cc1c(C(=O)NCCNC(=O)OCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2243423732 FACREVJZVPXBRW-UHFFFAOYSA-N 442.325 1.684 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608266 JEVNIHLTFMLBEU-CYBMUJFWSA-N 437.350 1.393 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618894 LARMTGCJVXOEBW-KGLIPLIRSA-N 432.330 1.933 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699065 UVLVVQMDZQNXIV-GJZGRUSLSA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256622077 BWLNBSHGRLGXGL-LSDHHAIUSA-N 433.314 1.859 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266996630 PYZCWJBJUKJGPH-RHSMWYFYSA-N 447.341 1.650 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267133494 CNMHCDDEZFFPPB-NTZNESFSSA-N 444.263 1.627 30 10 IDEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]1NC(=O)C(F)(F)F 2267167225 CRGLPAPCCJEQBF-DGCLKSJQSA-N 442.247 1.305 30 10 IDEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267178310 ACWCVJRQOHSYNB-GJZGRUSLSA-N 446.357 1.943 30 10 IDEE Cn1cc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2268979197 LUOJAFIZKSRNDA-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2319673454 BWEYOWBGKMKGEU-VTJXTGGHSA-N 440.346 1.414 30 10 IDEE Cn1cc(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2343641721 DHMNLGITCCKCAI-FPTDNZKUSA-N 446.357 1.991 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364178333 NGJLLGUUWQJDRW-GOSISDBHSA-N 431.558 1.860 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cn1 59913973 XTRUBYWKFYTGIO-DNTJNYDQSA-N 449.928 1.665 30 10 IDEE C=CCN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1cccc([N+](=O)[O-])c1 63288414 GUKNQPJAJBDVHP-UHFFFAOYSA-N 430.486 1.820 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1 106202585 WFYOMHOWXFERQA-UHFFFAOYSA-N 427.505 1.514 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C1CC1 431227704 ARTLFMNGBPIGKA-UHFFFAOYSA-N 431.583 1.869 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3ncccc3C#N)CC2)s1 435766694 ZUMUYHHGOHABIH-UHFFFAOYSA-N 434.547 1.133 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 441842796 NTKGUDGVUTYYMW-UHFFFAOYSA-N 441.513 1.062 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(CCC(=O)N(C)C)CC2)n(Cc2ccco2)c1C 473189847 JAZUHUDQZYTSFM-UHFFFAOYSA-N 440.548 1.652 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c(OC)c1OC 477598295 CRZRPNMRYLZNMC-UHFFFAOYSA-N 437.518 1.494 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 480110445 NFZGVSPLMPARHO-IUODEOHRSA-N 433.515 1.311 30 10 IDEE N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 499429771 GHQVFWBMWPGDNI-NVXWUHKLSA-N 435.322 1.311 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 509955652 BBSCGOSOTZBGCU-LBPRGKRZSA-N 430.324 1.811 30 10 IDEE CN(CCC#N)C(=O)CCN1CCN(CCC(=O)N(C)CCC#N)C2(CCCCC2)C1 534953359 OZZGCXWLFKYFLD-UHFFFAOYSA-N 430.597 1.831 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1C#N 535505851 ZRBSIRGMRQFMIV-INIZCTEOSA-N 426.496 1.992 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cc(OC)cc(C)n2)c1=O 540696769 PEMSLJGQTDVXNR-UHFFFAOYSA-N 436.493 1.220 30 10 IDEE CC(=O)c1ccc(S(C)(=O)=O)c(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 542971459 OJFYLJLIKWIZAT-UHFFFAOYSA-N 447.538 1.675 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1cccc(C)c1C 544640868 LOMQQVXQEUGOPZ-UHFFFAOYSA-N 448.504 1.982 30 10 IDEE C=CCNS(=O)(=O)c1cc(-c2nc(-c3ccnc(S(C)(=O)=O)c3)no2)ccc1F 546384783 JUZNYOZUEWYBQL-UHFFFAOYSA-N 438.462 1.806 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)n1 546919572 FSVUWPYFYPFNBW-LJQANCHMSA-N 431.562 1.034 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CNS(=O)(=O)c2cccc(F)c2)n1 558558246 QJIURSRAGVDDLP-UHFFFAOYSA-N 433.852 2.453 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c(F)c1 610149254 WXMFBZCYZSFEBK-UHFFFAOYSA-N 434.424 1.532 30 10 IDEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)c1 727418053 NOITUUHKXLUKBP-UHFFFAOYSA-N 439.468 1.301 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727557491 NCFCVJMINFUBRR-MRXNPFEDSA-N 430.505 1.894 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730143580 USXUUUHNUQDNNL-AEFFLSMTSA-N 447.605 1.827 30 10 IDEE CCN(CC)C(=O)CSc1nnc(S[C@H](C(=O)OC)c2ccc(C#N)cc2)n1N 741736110 GLWWQSVFJKUSAQ-HNNXBMFYSA-N 434.547 1.830 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 742889342 AZHHCELJFYJYEV-INMHGKMJSA-N 432.546 1.411 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 750429267 CNWURSMUEAVGBK-UHFFFAOYSA-N 445.472 1.316 30 10 IDEE O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 761792513 LNDGBNGSXXPVNO-UHFFFAOYSA-N 443.437 1.208 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cn1 765547252 LSTKBIPQVNSIQO-INIZCTEOSA-N 445.549 1.023 30 10 IDEE C#CCN(C(=O)NCC1(c2ccc(OCC)cc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 774195456 JLZLPZDWUWAFAP-LJQANCHMSA-N 434.558 1.965 30 10 IDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 780358242 DVWCTOOKLYTEDG-KRWDZBQOSA-N 431.474 1.055 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 787596691 ITKUZNJTMFOSHM-HNNXBMFYSA-N 437.518 1.590 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)n1 788821066 PTCGMZDUXVJEPY-JOCHJYFZSA-N 441.463 1.098 30 10 IDEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)c1F 796840876 LEMCQBPXCZKWEB-UHFFFAOYSA-N 442.222 1.760 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 806217933 NSEIZRSXWVXVEX-CZEALIGGSA-N 434.518 1.711 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 806370756 IZFJWCBZGXXVPN-INIZCTEOSA-N 431.493 1.448 30 10 IDEE C#CCN(c1nnc(COCc2ccccc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812287681 ZPCDBOZRNLTSPM-PMACEKPBSA-N 444.557 1.801 30 10 IDEE CC1(C)C[C@@]1(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 813300673 JGFITHWOUNHQIT-KRWDZBQOSA-N 442.335 1.892 30 10 IDEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 918754756 FPQSTNLXHMDWIZ-SFHVURJKSA-N 438.571 1.432 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc4c(=O)cc[nH]c4c3)C2=O)cc1 1139466727 KJMPIUFMRVBFNR-SFHVURJKSA-N 429.436 1.921 30 10 IDEE COC[C@]1(C(=O)N2CCN(c3cnccc3C#N)CC2)CN(C(=O)OC(C)(C)C)CCO1 1141569037 XCGYSHADTVIOAE-QFIPXVFZSA-N 445.520 1.254 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)[C@H]2C1 1154384647 OHGJIXCNDRCOFX-PHZGNYQRSA-N 437.493 1.966 30 10 IDEE C[C@@H]1CN(c2cccc(CN(C)C(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)S(=O)(=O)C1 1155870592 YSZGSPRMKXZAQS-MSVBSMQLSA-N 446.529 1.347 30 10 IDEE Cn1c(=O)[nH]c(NCCSCCOc2cccc(Br)c2)c(C#N)c1=O 1162530462 HRSLQODQMJYVBV-UHFFFAOYSA-N 425.308 1.932 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC#CCN(C)C)cc1 1170985069 QADUYGNNQSEPAV-JOCHJYFZSA-N 425.554 1.792 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 1211877705 CEBSJZKTOWHTBZ-IXDOHACOSA-N 428.555 1.425 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1254482731 UPABILSEVBHGKR-SFHVURJKSA-N 429.502 1.346 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](CO)O1 1286280194 URQACHFUWSOMRI-RYQLBKOJSA-N 447.561 1.193 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286349196 FXFHRRPFUYTUHJ-KRWDZBQOSA-N 428.562 1.617 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCO2 1286375138 UPSNIVTYFAEMBS-HNNXBMFYSA-N 430.530 1.956 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O 1286438954 LVSBXHUPKWCQOH-UHFFFAOYSA-N 441.561 1.227 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1286445894 PPJABFRGXWHPIR-QGZVFWFLSA-N 443.556 1.929 30 10 IDEE C#CCN(CCOC)c1nnc(CC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286467631 ZOKAOFQKMUZQAK-SQNIBIBYSA-N 433.553 1.951 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1286484966 SFEYNAMZSAOISV-UHFFFAOYSA-N 447.543 1.530 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)CCCS2)CC1 1286490686 OVRPJPQRBMJOLY-IIBYNOLFSA-N 430.578 1.481 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286505300 ZTCUFHNEFOYRGM-UHFFFAOYSA-N 434.591 1.472 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286508775 WANMCXHAAXTMCD-HNNXBMFYSA-N 425.605 1.624 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncn(-c3ccccc3)n2)CC1 1286637773 MRBUDOFWSRTTOB-INIZCTEOSA-N 442.549 1.674 30 10 IDEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286691304 YHGJSFZZEVPGMY-UHFFFAOYSA-N 427.557 1.702 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286711464 ODEBMLHEBMKSIS-UHFFFAOYSA-N 429.525 1.039 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286784195 ATGBIYWPOPARLG-OAHLLOKOSA-N 433.534 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1F 1286819422 JWCYUMPTYJWDNQ-KRWDZBQOSA-N 435.525 1.648 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1288272323 NCQFDLQZDWZLIJ-UHFFFAOYSA-N 445.549 1.408 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1288967072 VYLCHLPVVGVCJT-VFCRVFHLSA-N 428.468 1.764 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1300328529 LFAADQITPWMQPI-CABCVRRESA-N 440.570 1.357 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1300382099 ZGOKLGFWWQPNRT-UHFFFAOYSA-N 438.532 1.856 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300488531 SLFPUFHNCRYMOW-QGZVFWFLSA-N 429.546 1.359 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300496057 NJEVSUFHIUFCHR-IBGZPJMESA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1300502080 QQGDMWFWSFXRFG-KRWDZBQOSA-N 437.591 1.686 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)OC)CC1 1300719192 QXGCMVKQNJRVQV-INIZCTEOSA-N 441.532 1.963 30 10 IDEE C#CCN1CCC(C(=O)N2CCC(n3nncc3I)CC2)CC1 1300835910 RYHCJKAUFUJCSF-UHFFFAOYSA-N 427.290 1.391 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1300848274 CEYZYRAEKIMSJI-KBPBESRZSA-N 448.387 1.756 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1300872831 HJHNJGJQMQYREP-JJXSEGSLSA-N 429.612 1.811 30 10 IDEE COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1300974107 DRALPNIPJUGYDA-GJYPPUQNSA-N 440.570 1.024 30 10 IDEE C=C(Cl)Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1301060196 CHYWEWMFZIXULY-CRAIPNDOSA-N 447.989 1.448 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1301507080 WAIBPFLJFSRSQK-OAQYLSRUSA-N 448.527 1.850 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)S[C@H](C)C1 1301509263 DWANEERKGUGZDE-OKILXGFUSA-N 434.591 1.902 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)C2)nnc1[C@]1(OCC)CCOC1 1301534710 DKCVEAWNPZDGGP-QFIPXVFZSA-N 427.505 1.480 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CCN(C(C)C)CC1 1302242881 NVAMDVSJHWPRSM-FHWLQOOXSA-N 434.585 1.976 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1303410526 ULADDWQZRYZXFX-KRWDZBQOSA-N 427.509 1.230 30 10 IDEE CCc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1306085179 BEOFTLHGBRJVFL-ANNUQZOISA-N 438.488 1.643 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1315104409 SHHKECIASJZCNU-MJGOQNOKSA-N 441.488 1.534 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1358896010 VTXVAHNTRQWHEO-CTNGQTDRSA-N 436.560 1.759 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@]1(O)CCS(=O)(=O)C1 1359017545 JJBIKITXWMTFIZ-HXUWFJFHSA-N 436.509 1.143 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1359024121 FQESVBHVZLNWBK-HXUWFJFHSA-N 425.533 1.813 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1359027987 CLJKYJRAOKGYRW-UHFFFAOYSA-N 439.564 1.792 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1359031175 SGEHYWXAJHYYEI-QFIPXVFZSA-N 442.568 1.080 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCCOC)CC1 1359034239 JAPGIXUBRMUCJZ-UHFFFAOYSA-N 449.559 1.857 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)NC(C)C)CC1 1359044064 TWXHPKPFYDVSQI-UHFFFAOYSA-N 447.543 1.917 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1359057218 VNDFZGZZCYBICO-MRXNPFEDSA-N 442.607 1.178 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1359065451 QQQAJYZAUWXYCE-YADHBBJMSA-N 427.505 1.832 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359187554 PXYULLPMNRPTAZ-INIZCTEOSA-N 438.598 1.692 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359219570 VPMRFJGMKYUKHQ-INIZCTEOSA-N 428.541 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359296986 AOLSQBULWCYGHG-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1359297937 HHCMUKLNCLVLQI-IRXDYDNUSA-N 442.568 1.502 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C(C)C 1360277442 GIEMRIUHFYHTJI-UHFFFAOYSA-N 425.537 1.940 30 10 IDEE C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451445181 LAGIGTMMZKLDCB-HOIFWPIMSA-N 436.553 1.708 30 10 IDEE Cc1nc(=NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n(-c2ccc(F)cc2C)[nH]1 1456456580 FEOFWGFCIKMGCT-UHFFFAOYSA-N 428.449 1.234 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 1466939385 KABNXPVWTYWCTM-APWZRJJASA-N 439.516 1.949 30 10 IDEE C[C@@H]1C[C@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C(=O)N1c1cnn(C)c1 1469101893 GEQQDUBVHVIXJI-IERDGZPVSA-N 435.532 1.749 30 10 IDEE COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)NCC#CCO)c2)cc1Cl 1472560716 NTZCWWDFVJOCIU-UHFFFAOYSA-N 438.889 1.884 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)NCC3(n4cc(Br)cn4)CC3)CC2)c1 1479239619 ZLPSIDVOTYBLFG-UHFFFAOYSA-N 430.310 1.933 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1503361169 AUKZOZGOAGHTQB-JOCHJYFZSA-N 437.504 1.716 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1507540367 ZHFLGXLWVWVYDH-JKSUJKDBSA-N 439.582 1.943 30 10 IDEE C#CCCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1507575864 WMUBEQXAZAAMDW-PGRDOPGGSA-N 430.553 1.774 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1507592346 SNUKVPLQHGXXJH-FQEVSTJZSA-N 427.597 1.637 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)OC(C)(C)C)CC1 1507724085 GGTSKFLBZYZJQR-UHFFFAOYSA-N 425.537 1.544 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)CC1 1507731140 BQEZMBINEHISLF-HXUWFJFHSA-N 443.573 1.130 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc(Cl)cn2)CC1 1507739513 QSLZKBWAWBLQHJ-INIZCTEOSA-N 431.928 1.298 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507755673 GSXKGHTVHSHQDS-QGZVFWFLSA-N 434.587 1.867 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)Cc1cnn(C)c1 1508086067 XMDZGPCGBXSVOW-UHFFFAOYSA-N 433.520 1.579 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508095338 WLBVRMOUMJOKEJ-OAQYLSRUSA-N 444.467 1.329 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508104740 NJZTWKKGKDIIEY-DLBZAZTESA-N 445.545 1.466 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CN(C)C2=O)C1 1508118147 WUTJWZLDZVHYRC-ZPMCFJSWSA-N 433.553 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1508135253 GTOFCBKSZZBLIK-INIZCTEOSA-N 447.517 1.292 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1508153044 GIALLDPRYLLBSV-KRWDZBQOSA-N 443.621 1.992 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1516856963 CPJQDFBALCXHRS-OXIDNPNJSA-N 442.589 1.742 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1517336101 FGCGVLWIWZWTSE-UHFFFAOYSA-N 448.480 1.495 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517643343 DRJXMKHITTTZEH-RAJOGRCSSA-N 428.493 1.146 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCCN2CCOCC2)c1 1521083128 SGIVMAWMUMBNDR-UHFFFAOYSA-N 428.562 1.498 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3Cc4ccc(C#N)cc4C3)c2)CC1 1530024515 MCOKWFXWIGJMBA-UHFFFAOYSA-N 438.509 1.567 30 10 IDEE CN(CCOCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1532656243 OKTWVKFVRCJEOW-KRWDZBQOSA-N 430.505 1.911 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539088951 BVNJWWFTYFKSNM-UHFFFAOYSA-N 426.525 1.345 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1539284053 FUZYKWSWYBHUBX-GUDVDZBRSA-N 447.605 1.694 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(OC)CCOC2)CC1 1539462316 SNMWWGAQKIEMAZ-QHCPKHFHSA-N 441.532 1.426 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1539538708 MBKNNVXHINUSFG-HRAATJIYSA-N 444.561 1.909 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1539539724 XTBPONYLAKVDIW-QVKFZJNVSA-N 447.609 1.787 30 10 IDEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539961328 UTRKPLFZBMZCAL-UHFFFAOYSA-N 437.548 1.932 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1540127166 RLANMVNUASPCRU-KRWDZBQOSA-N 429.546 1.999 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1540858402 VPIWVHINULDNRV-HUUCEWRRSA-N 435.554 1.195 30 10 IDEE CC(C)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1541600120 HVPVITNSWXQOCQ-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE CO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1554621755 XFGSBIUVWDSKCK-RRFJBIMHSA-N 441.458 1.373 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1554978716 DOVYUIXJTKHMNO-QAPCUYQASA-N 447.517 1.029 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1OC 1555671935 SURQXPNLEYBWEB-QAPCUYQASA-N 431.493 1.796 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 1555699744 HFVMGBHPHSASDF-NRFANRHFSA-N 440.548 1.781 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1558421729 JJMWOWPUGGXMJD-RDJZCZTQSA-N 428.938 1.394 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCn3c(Cc4ccccc4F)nnc3C2)nc1 1559970902 OYFJIXDUVANBPA-UHFFFAOYSA-N 426.477 1.564 30 10 IDEE C#CCN(CC(=O)N[C@@H](C(=O)NC)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1560142760 BOHBZRJATYWLJM-OAQYLSRUSA-N 442.560 1.925 30 10 IDEE C=CCN1CCC(NC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1563958688 OEGNDEHAEGJCCH-IBGZPJMESA-N 449.596 1.890 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1569676458 UBUBJHFFYILQOK-HNNXBMFYSA-N 439.877 1.956 30 10 IDEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584197175 OQLGUYQIHNRMEP-KSZLIROESA-N 442.472 1.380 30 10 IDEE Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cc(C#N)c(O)nc2=O)c(C)c1 1584873338 GFLQEVOPURJKPL-INIZCTEOSA-N 427.486 1.368 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(N4CC[C@@H](O)C4)CC3)C2)C1 1585071325 JWSMRCTVUUZCBB-MGSYBHFQSA-N 432.565 1.831 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1587555030 CIKBEFZGVLOAMX-BTYIYWSLSA-N 430.940 1.386 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1588065304 WLUFRKNRIQLEPD-MRXNPFEDSA-N 449.964 1.985 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1588148931 AYRQWYLGRXDPDD-HXUWFJFHSA-N 441.543 1.837 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1nnc2n1CCCCC2 1588158965 NJLNUBKTHIFQRL-UHFFFAOYSA-N 431.548 1.773 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1588162206 NKJYPJVKJCZZKQ-FQEVSTJZSA-N 437.525 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1588924178 WOXLIUKATPIMTN-BCDXTJNWSA-N 439.564 1.848 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1594962966 OIMNWJHDPSEBOL-FXAWDEMLSA-N 435.550 1.141 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1)C1CC1 1595058367 JNHDPSPDJYJPAU-QGZVFWFLSA-N 439.582 1.725 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1595544529 JNYMKYDSMBGTAG-HZPDHXFCSA-N 434.541 1.435 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1596865628 BJDSVLZCVCBISL-LSDHHAIUSA-N 444.561 1.601 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1=CCCOC1 1611664316 BOYOFKOGHSWDCD-HNNXBMFYSA-N 430.534 1.743 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCCC3)C2)n1Cc1ccc(C#N)o1 1611688896 HJNUGWQCUSTEJK-HZPDHXFCSA-N 447.565 1.466 30 10 IDEE COc1cc(C#N)ccc1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1616462417 HUUKGDLTJJXSQG-UHFFFAOYSA-N 430.266 1.221 30 10 IDEE CNC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1618824500 MLBMYKJOWIHWEY-NRFANRHFSA-N 443.508 1.293 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1620356793 IUAVNNDPGWYSKR-RTBURBONSA-N 431.468 1.921 30 10 IDEE CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1620794225 DIIPHRWCKOPBIY-CYBMUJFWSA-N 443.426 1.250 30 10 IDEE C=CC1(CC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 1622089081 ILXRCROQZOZSFW-LAQRGFTBSA-N 429.517 1.723 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1 1622617285 DCCNUEWSTUQJQB-IAGOWNOFSA-N 439.534 1.515 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N(C)CCC)s1 1626398990 NTYBAJDVOPVQBL-AWEZNQCLSA-N 431.605 1.525 30 10 IDEE C#CCN(CC(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC)C(=O)OC(C)(C)C 1627448041 JJHGCRQCZZJXLG-MRXNPFEDSA-N 435.496 1.726 30 10 IDEE C#CC[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1630396799 JTBMQRSRCRZZAK-XJKSGUPXSA-N 445.463 1.490 30 10 IDEE CCOC(=O)CNC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1632288059 VELDMIUBLDURBB-UHFFFAOYSA-N 436.306 1.781 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn2c1CCCC2 1639300328 JXKBGBKOWSFDRF-QGZVFWFLSA-N 429.546 1.989 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)ccc1F 1640584158 KMEMLBUIGNEWAE-ZWKOTPCHSA-N 425.526 1.519 30 10 IDEE C#C[C@H](NC(=O)CNC(=O)c1ccccc1I)C1CCOCC1 1640925888 UYCWIBYFUQSWOM-HNNXBMFYSA-N 426.254 1.566 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(CC(N)=O)CC3)nnc12 1641168489 XVWYZTWNGZFOEB-UHFFFAOYSA-N 440.529 1.436 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(-n2ccccc2=O)cc1F)c1cc[nH]n1 1645318841 ZIMWWYJQROQRCZ-UHFFFAOYSA-N 427.392 1.622 30 10 IDEE CC(=O)N(C)c1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1645633664 DQWSUDHVYOSOBY-AWEZNQCLSA-N 428.514 1.803 30 10 IDEE Cc1nnc(N2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)s1 1652257847 GEWCGUCVWJNZEB-MRXNPFEDSA-N 439.501 1.272 30 10 IDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)c1C#N 1668620207 DFOBSHIWZPCQFT-UHFFFAOYSA-N 449.334 1.745 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)c3ccccc3c2)CC1 1680153704 HVVSXUBHRDJARB-UHFFFAOYSA-N 430.486 1.244 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1689851638 TWESMKHSYCEYLL-PXNSSMCTSA-N 441.601 1.737 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689986658 UQXOSTILQZYZLV-IIBYNOLFSA-N 432.521 1.872 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1689987976 GRWYKHKUMXORQA-MRXNPFEDSA-N 445.574 1.427 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1689991073 VGDWRLXOLTWFTL-ZWKOTPCHSA-N 432.550 1.086 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1c[nH]nc1C 1690008781 OMXLFBPQTJKZBX-UHFFFAOYSA-N 426.488 1.658 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2ccccc2[nH]1 1690659636 YUXGWPTULJKWIZ-AWEZNQCLSA-N 445.549 1.308 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1690680209 LYLYERVRCHATJD-ZWKOTPCHSA-N 445.545 1.466 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690749801 PZGIQBQNEAMVSZ-SJORKVTESA-N 431.566 1.994 30 10 IDEE C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1693843491 HVRMCKPZPJPHQD-DYESRHJHSA-N 433.532 1.343 30 10 IDEE CCn1cc(CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1695773507 ILNUBWIMRCOQPM-ZCXUNETKSA-N 426.525 1.955 30 10 IDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1696420369 KHWZZPKYFTVFSU-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697733574 HFMKEIDSXLZBGM-JKSUJKDBSA-N 441.540 1.076 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1697926060 GMPLJWHSSZOKCJ-CVDCTZTESA-N 440.548 1.909 30 10 IDEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1698012127 WBKHKRKXFZTYQH-HSZRJFAPSA-N 441.532 1.990 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1OC 1698288814 UCDAIXSDEVBSJN-HFNCPFJESA-N 438.488 1.322 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705532358 MMJMRNWFUJADAA-WOJBJXKFSA-N 428.581 1.718 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705564135 ALDZZUQUBPKCQY-IPMKNSEASA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705567161 VDZHKRCZNHQWHV-ROUUACIJSA-N 445.545 1.081 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1705594168 SKHMWVXKGSAIEB-UHFFFAOYSA-N 425.514 1.341 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC[C@H](CO)O1 1705626888 MOOUPFVWNCAHOM-LEWJYISDSA-N 436.516 1.757 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1705762239 RFKOHTLAJVHDBF-UHFFFAOYSA-N 425.537 1.853 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1705825163 LKMWPVAMJHVVKG-MRXNPFEDSA-N 427.571 1.630 30 10 IDEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCS(=O)(=O)CC1 1705846850 VOARHCNYZIAEJI-UHFFFAOYSA-N 429.546 1.843 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705880907 ULOAQGBNJPTNAY-HXUWFJFHSA-N 446.533 1.056 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705925698 SRFMZYVRBNONFT-KURKYZTESA-N 439.582 1.583 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705947959 DQSOWEMPUOPCAD-KRWDZBQOSA-N 432.594 1.911 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1706462331 DHIOFYINTIDYKX-VQIMIIECSA-N 441.623 1.814 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cs1 1707744742 BYLBBXYPNPPRKY-HIFRSBDPSA-N 437.595 1.511 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CCO1 1712884448 MFWQNPQTUXXNJD-JKSUJKDBSA-N 428.468 1.470 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1722378439 TWUKJQMOURZMGE-QFIPXVFZSA-N 428.540 1.971 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1COCCO1 1722409383 ADDCZYZZVFCVML-MRXNPFEDSA-N 432.550 1.503 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCSC1 1722423498 FGFMUFPOAUSVKK-OAQYLSRUSA-N 432.546 1.916 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722456436 UCKJDDQRCLSTQX-UHFFFAOYSA-N 444.586 1.701 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1722459783 RAVSYWKNUVQREE-DLBZAZTESA-N 442.607 1.177 30 10 IDEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722585143 VAXHGQPZSHIJPQ-UHFFFAOYSA-N 436.969 1.856 30 10 IDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722619138 ZTGCEFQFLMYOJX-QGZVFWFLSA-N 429.525 1.805 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1 1722672231 MQDQXGKMMJXTGC-OAHLLOKOSA-N 428.580 1.326 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1722723619 AXJQVMLQZRPSSO-UHFFFAOYSA-N 431.522 1.251 30 10 IDEE CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1722850104 JFGBKGXHXURKPB-UHFFFAOYSA-N 438.536 1.141 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1740653506 OOJRYMWCXWRDHK-GOSISDBHSA-N 425.514 1.144 30 10 IDEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740888047 HVFPANTXQGDREI-GOSISDBHSA-N 426.521 1.972 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccnn2C)CC1 1740951266 DXKGLHASSGYGNS-UHFFFAOYSA-N 449.519 1.345 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC2CCOCC2)CC1 1740990526 VIWJKRKDSTZIRW-UHFFFAOYSA-N 448.593 1.423 30 10 IDEE COc1cc(Cl)ccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1748556908 BGULMHUUPVPQOG-INIZCTEOSA-N 430.896 1.953 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748638008 HTZKBZQEOBUAEM-DLBZAZTESA-N 425.537 1.543 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1748646743 CZBRVRSMJNFQTL-SVMVAKDDSA-N 427.553 1.791 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748812619 YDKVTOWXNCTLFT-JMGYQRAPSA-N 435.575 1.201 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1748868045 QFOLYEMQYVVSQV-NFBKMPQASA-N 429.565 1.502 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1748905472 FFXXTVWDNCXNST-INIZCTEOSA-N 432.550 1.086 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1749222231 DIMYTVBAHPKIGX-NRFANRHFSA-N 442.612 1.876 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749225255 COGQLBLCYCYYEG-INIZCTEOSA-N 447.609 1.825 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749230027 SUFWQQLLZMXWMC-IBGZPJMESA-N 434.585 1.759 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749668581 AKKOJLAIFSLBEQ-HXUWFJFHSA-N 435.532 1.278 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCOC2(CCCCCC2)C1 1749677804 LGPSQGRCHMDQAZ-UHFFFAOYSA-N 430.553 1.632 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(N(C)C(C)=O)CC1 1749729530 MSKAEXXGOBMLCC-UHFFFAOYSA-N 432.550 1.388 30 10 IDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCCc1ccccc1 1751927868 DOPWDKCRVQRNJC-UHFFFAOYSA-N 430.516 1.539 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1760180450 FRLGHJHGAALWFI-HKUYNNGSSA-N 427.530 1.266 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 1760249706 QYFPJYDCLAIKOK-MSOLQXFVSA-N 449.552 1.709 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1760253343 DMGABSSZSAMRNU-OAQYLSRUSA-N 449.603 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1760270859 CPIUAMJMOIBSDO-KRWDZBQOSA-N 436.516 1.729 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](COC)C1 1760355314 FMINNUFKBZVKOX-HOTGVXAUSA-N 433.509 1.839 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1760374048 HMNVLHKAXBZNDV-IRXDYDNUSA-N 446.017 1.870 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1760422452 MTAJSJRINQSCCW-INIZCTEOSA-N 438.598 1.836 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CCOC 1760464286 DNQOXNZTRMKGNR-HRAATJIYSA-N 439.557 1.996 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763817451 MGAHUHILUFDLLJ-KDPFCFKRSA-N 444.536 1.702 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1)[C@H]1CCOC1 1768577453 PHXVEPNLWDFHMB-SFHVURJKSA-N 427.505 1.885 30 10 IDEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)cn1 1769015319 FBWYVOIXJXZQCE-UHFFFAOYSA-N 440.533 1.117 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1769102875 MVSVWXDVGKATQA-NZKCYVOASA-N 430.509 1.170 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cn2ccc(C)cc2n1 1770050212 JEZOJSNSYHLVIM-AEFFLSMTSA-N 425.493 1.735 30 10 IDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCC#CCN3CCOCC3)cc2)C1 1850335009 RDSDNAMDBDXRFT-RTBURBONSA-N 433.574 1.419 30 10 IDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CO2)nc1 1852086931 FQJYKDOIFHNHIX-NVXWUHKLSA-N 436.424 1.441 30 10 IDEE C=CCN(C(=O)c1cc2n(n1)CCN(Cc1ccc(OC)cc1)C2=O)[C@@H]1CCN(C)C1=O 1852523395 NTHYJOLZMYACHD-LJQANCHMSA-N 437.500 1.407 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@H](C)NCCn3nnc4ccccc4c3=O)C2)CC1 1853572696 OEKIHNHTFPJJMI-DLBZAZTESA-N 431.562 1.530 30 10 IDEE CCCCCCCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)CCCNS(C)(=O)=O 1860941263 ZIVGZHOQOJSLFN-ZWKOTPCHSA-N 433.615 1.535 30 10 IDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1O 1874274768 OXUHVDFRUXFVLG-IKDHMPEHSA-N 446.533 1.566 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)CC1 1889612153 JXIKOGJWJDOPMR-UHFFFAOYSA-N 437.581 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010523928 PNWWCLSACDUTKP-HSALFYBXSA-N 428.533 1.983 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255610384 NLSKXEFZVOMDAM-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2255652604 XBSOTHLGYWYKEF-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255751069 UNZDBMMFHIDHJC-UHFFFAOYSA-N 448.398 1.472 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2CC2)C1 2255825475 ACBOAQJLLQGWAK-UHFFFAOYSA-N 432.330 1.933 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2255839456 WFTGGMVRGSXGKA-STQMWFEESA-N 435.334 1.290 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255879289 MUSLSMKTUVDIJE-UHFFFAOYSA-N 432.330 1.715 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255883075 ZZUZXHCDUGUZQH-ZIAGYGMSSA-N 432.330 1.904 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)O 2256916257 BSVBZSFQSKFPRK-DYVFJYSZSA-N 429.282 1.497 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267266605 QRFNBUUESWWUAE-ASSNKEHSSA-N 447.345 1.101 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267479099 HPXSRQJZMAMYBZ-SJORKVTESA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267550067 UOTSSJNQMLXBCI-OAHLLOKOSA-N 448.329 1.142 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](F)[C@H](CO)C3)cc2Cl)OC1(C)C 2282304387 JYLUNWMNLODTMX-GXSJLCMTSA-N 425.740 1.652 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2315532987 KVCWSHQAIFUCJP-UHFFFAOYSA-N 430.236 1.002 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@@H](CC(N)=O)C1 2320264358 WPFNNODEYWSAIG-RRFJBIMHSA-N 437.346 1.792 30 10 IDEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20292651 DKQASPCHQKMDCM-UFFVCSGVSA-N 426.462 1.335 30 10 IDEE C=CCn1c(CCc2ccccc2)nnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C 59263822 TZTYUNCLBLXCKE-UHFFFAOYSA-N 437.529 1.685 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(N(C)C)cc3)n2)o1 59878813 UBXLKMASGVMANX-AWQFTUOYSA-N 429.510 1.671 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCC(=O)OCC)CC3)cc2C1=O 435710736 WONGQKXXCXBOTJ-UHFFFAOYSA-N 427.457 1.000 30 10 IDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)C1 466109037 TVYOVLDKUPLTIF-ICSRJNTNSA-N 427.549 1.959 30 10 IDEE N#CC1(CS(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCCCC1 476530305 FRENMMDRSNTPBF-VQTJNVASSA-N 430.574 1.979 30 10 IDEE C[C@]1(c2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 480865281 JSPVUBNWHVITCB-VGOFRKELSA-N 449.492 1.767 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)c(F)c1 481015997 ABGVAWCCJFJRES-UHFFFAOYSA-N 436.553 1.841 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 486494201 IBRLSTBUYLDMIS-UHFFFAOYSA-N 437.566 1.631 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)c(OC)c1 488429474 MAISLUZAKCXUIP-UHFFFAOYSA-N 429.458 1.696 30 10 IDEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508936320 QUJTURDLKNXCNA-UHFFFAOYSA-N 444.511 1.163 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 542421241 MYNBTWQILSTJAJ-UOVPBQLFSA-N 431.445 1.540 30 10 IDEE C=CCn1c(CN2CCN(Cc3ccccc3Cl)CC2)nnc1N1CCNC(=O)CC1 558455870 KGDRPISQVJCEEP-UHFFFAOYSA-N 443.983 1.762 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(S(=O)(=O)NC)c3)cc2C1=O 589565069 ZMHKBSKECMDDIM-ZDUSSCGKSA-N 427.482 1.868 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 603799016 QXGBTZRTFIGRLQ-GOSISDBHSA-N 432.505 1.626 30 10 IDEE N#Cc1c(CCCNC(=O)NCCNC(=O)c2ccccc2)nn(-c2ccccc2)c1N 603806206 LAUZTBKJDCGANB-UHFFFAOYSA-N 431.500 1.988 30 10 IDEE N#Cc1cc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)ccc1Cl 604038174 UZDATUWXTSSFDS-UHFFFAOYSA-N 432.889 1.262 30 10 IDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615488764 DEGSHGBSQULKJL-HXUWFJFHSA-N 439.541 1.523 30 10 IDEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670195352 ZSEQUYGFSNWZMQ-UHFFFAOYSA-N 443.577 1.941 30 10 IDEE Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)c1 729668309 GAAMEMJLYPFAAL-UHFFFAOYSA-N 443.532 1.883 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664496 PTCFHOLPHZWALN-WBVHZDCISA-N 440.566 1.424 30 10 IDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(C#N)cc1 740178124 IHTDPISAAYRFEB-IBGZPJMESA-N 430.438 1.497 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC1 751003953 MPJFKWGKGLEWPS-UHFFFAOYSA-N 444.333 1.450 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@H]2CCOC2)C1=O 751693031 CTOVVXRTZUJSHP-YOEHRIQHSA-N 434.518 1.204 30 10 IDEE C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758059712 MFFVKRVTXWUXEG-UHFFFAOYSA-N 438.505 1.441 30 10 IDEE C#CCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 774194946 KBKMSKRYAQHTLY-CYBMUJFWSA-N 443.319 1.552 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(SC(F)F)cc2)c(=O)n1CC(N)=O 781660670 UMPOTXXAWISTSX-UHFFFAOYSA-N 449.504 1.582 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(CCC2CS(=O)(=O)C2)C1=O 786682933 MTROGMAPRQSWDK-HNNXBMFYSA-N 427.523 1.636 30 10 IDEE CN1CCC[C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)[C@@H]1c1cccs1 787775229 BTXQBANIIOYNLA-FUHWJXTLSA-N 426.546 1.742 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4ncccc4c3)n(C)c2=O)cn1 794595471 RMXHRMMXYCSDES-UHFFFAOYSA-N 429.505 1.987 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1 799819687 SCASENDHSWAZBQ-UHFFFAOYSA-N 440.566 1.694 30 10 IDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccccc3-c3ccnn3C)c2=O)cn1 814249822 AXHZEBITTZJRAP-UHFFFAOYSA-N 427.493 1.543 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)SC1=Nc1ccccc1C#N 917699554 KJXKRYDCUOQYJC-GOSISDBHSA-N 435.509 1.942 30 10 IDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4cccc(Cl)c4)n3)[nH]c2n(C)c1=O 1084444514 JDTIKEPFNNITBX-UHFFFAOYSA-N 431.869 1.329 30 10 IDEE C=CC[C@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 1131361519 OCAWGUJFCKQAAE-KRWDZBQOSA-N 446.573 1.951 30 10 IDEE CN(CC(=O)NCc1nc(C#N)cs1)S(=O)(=O)c1ccc(Br)cc1 1134474896 ORTVRPYWBMMPDE-UHFFFAOYSA-N 429.321 1.714 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1141568435 AXSHLTKITOBUSP-UHFFFAOYSA-N 429.521 1.754 30 10 IDEE Cc1ccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1B1OC(C)(C)C(C)(C)O1 1154157785 HVGDGRNVBSOERR-RQZFFVEVSA-N 443.378 1.974 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C[C@H](O)COc1ccc(CC#N)cc1 1196185639 CNOAUPBFJLWMSB-AVRDEDQJSA-N 435.521 1.080 30 10 IDEE CCN(C(=O)NCC#CCN(C)C)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1256584678 IKKBTJASBJFZCE-SFHVURJKSA-N 437.585 1.441 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286397208 YECVXORGMFPPIW-KURKYZTESA-N 436.578 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N(C)C1CC1 1286401021 IDODDLURRPWMCI-KRWDZBQOSA-N 425.558 1.904 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1286419984 JFQQJIOQWAXIQZ-SFHVURJKSA-N 448.593 1.144 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O 1286434162 GLRUCXFWHQOHCD-UHFFFAOYSA-N 445.520 1.495 30 10 IDEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1286509267 XMFCYBAICRVJOL-LJQANCHMSA-N 438.557 1.668 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1286602197 UXAXAXACCFHPKX-UHFFFAOYSA-N 426.525 1.223 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)C1CC1 1286732045 IOPHOYZPSDWTCR-KNBMTAEXSA-N 439.582 1.771 30 10 IDEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1286767695 DMRBXRCBMWUDKF-OAQYLSRUSA-N 445.545 1.615 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286785596 OQZREZFQLPLLFP-UHFFFAOYSA-N 439.545 1.610 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1286787064 BKURSBNJBJXOFU-ICSRJNTNSA-N 441.532 1.759 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1296615555 XFKACLIRWKZMAK-LPHOPBHVSA-N 435.506 1.066 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1300272022 KBRQLSOUCWRHOG-UONOGXRCSA-N 428.522 1.180 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1300492286 MQPZZWXSJYFSSA-HNNXBMFYSA-N 443.558 1.451 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 1300571643 YAJCXHBXTSJKDN-QGZVFWFLSA-N 431.489 1.620 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCSC)CC1 1300716121 JILZQTWQMKTZOP-NRFANRHFSA-N 435.594 1.649 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCC[C@@H](C)C2)CC1 1300719656 KZILIWZWVWLVCM-GOSISDBHSA-N 438.580 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCCC2)CC1 1300719693 MIABHDWQZJUYST-UHFFFAOYSA-N 436.564 1.577 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300732377 AYHONBDMDMHKEY-KBPBESRZSA-N 428.474 1.406 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 1300843646 HKXCFANMVBLARZ-CYBMUJFWSA-N 433.314 1.254 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCCOC)C1 1300843708 HYUUBVSXMPGNHO-ZIAGYGMSSA-N 428.331 1.770 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCN2CCOCC2)CC1 1301104914 BPLVWRWCAQGFMC-KRWDZBQOSA-N 440.614 1.403 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1C(C)(C)C 1301518702 JGTZWJPLNCSCQR-UHFFFAOYSA-N 428.585 1.550 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302977625 BJMBALDCUIMNRQ-MQWRXFRTSA-N 429.456 1.140 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1303639428 FDWFXUXSGUPBMI-CYBMUJFWSA-N 426.493 1.825 30 10 IDEE COc1ccc(C(=O)NCCN2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 1307538576 BEMPNPMDEMEQJE-HXUWFJFHSA-N 430.549 1.114 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1312544696 WZJQUNKGYYSOOO-CPFNUKBASA-N 431.493 1.392 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2ncccc2C#N)CC1 1313121537 AXWZXDQBSNPZGV-UHFFFAOYSA-N 432.525 1.716 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1358890642 SJJUXWKVGNKHTL-SJLPKXTDSA-N 433.534 1.148 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1358911452 UOJAFTLDIQPEJS-GOSISDBHSA-N 427.553 1.761 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1 1358984080 HLSIEBLIBOKJHM-UHFFFAOYSA-N 448.527 1.416 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1359020113 RPHNQTRJZKAHNX-UHFFFAOYSA-N 442.476 1.188 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1359240641 UKNBNAQPAYSOLB-SFHVURJKSA-N 426.569 1.795 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1N1CCOCC1 1359281837 KLTNBTOZUMABSA-LJQANCHMSA-N 428.537 1.701 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1359291166 HCAIOZTXJZFIIJ-INIZCTEOSA-N 447.584 1.097 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1359306343 DCSFLIPYLYMMKD-INIZCTEOSA-N 426.521 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359334060 RQGVLFZQJKTFQO-LSDHHAIUSA-N 438.531 1.645 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(C(=O)C(C)C)CC1 1359335546 OESGAAQHUQQFEE-UHFFFAOYSA-N 427.571 1.110 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 1455115027 KJXBOQGSUJEKMS-UHFFFAOYSA-N 439.588 1.183 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)[C@H](C)C1 1456198701 GLNZRYZCXOOEBX-FMKPAKJESA-N 441.575 1.222 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)s1 1465280244 OWLBOZBRRVWHFS-UHFFFAOYSA-N 436.559 1.554 30 10 IDEE COc1ccccc1C[C@](C)(CO)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478567139 GWYKRTRETKJSMX-GBXCKJPGSA-N 436.512 1.961 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1503618969 BPVPKZUUYUNAPP-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1503778327 RJYKQHBYLMARDX-FQEVSTJZSA-N 434.500 1.918 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(C2CC2)C1 1504887528 BXNRFJBDWNZDLK-SJORKVTESA-N 436.582 1.031 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1507531771 DAWVBGUCHGKZBA-IAGOWNOFSA-N 436.516 1.938 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507650601 OJIQXWVSGDAEIH-GOSISDBHSA-N 438.532 1.847 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCS(C)(=O)=O 1507664306 KQDWZUGAVWOGKV-UHFFFAOYSA-N 430.530 1.860 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)CC 1507680338 DRTUKJBZPTZDLQ-UHFFFAOYSA-N 432.550 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1507734452 NIJRUPNJIVDBAL-UHFFFAOYSA-N 442.527 1.873 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)C(C)(C)C)CC1 1507738120 KBUXLLMNIHJUJR-SJORKVTESA-N 430.553 1.256 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C)CC1 1507740331 LTXCVWYJGFXWCQ-UHFFFAOYSA-N 434.544 1.723 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507795715 FJKFDSVHTVAUMX-CTNGQTDRSA-N 446.596 1.411 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507844221 FMVXJYUHFLVBEI-SFHVURJKSA-N 443.552 1.890 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508067798 QQFLRMZSORUNKN-HTAPYJJXSA-N 432.569 1.294 30 10 IDEE C=CCSCCn1c(COCC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508166666 ALNZBTSEYSGMMA-MRXNPFEDSA-N 429.612 1.738 30 10 IDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1510887345 ALQJHULRCXILIC-FXAWDEMLSA-N 448.524 1.410 30 10 IDEE CC1CCN(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1512355895 VEDKEXRYWHZVPZ-SIKLNZKXSA-N 432.569 1.779 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CC1 1515901823 BXBBSNIDWAHZBR-IBGZPJMESA-N 439.564 1.591 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1527210868 BCUKZOGUPNCJEA-CGUCZKFASA-N 444.517 1.225 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1533048514 IADKYWIILZGEMI-MRXNPFEDSA-N 443.953 1.652 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1539016106 SXAIZHKVKJFWKN-ZBFHGGJFSA-N 444.540 1.714 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1539219245 BPGBOVJDTNVYPH-HOTGVXAUSA-N 433.534 1.316 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nncn1-c1ccccc1 1539331272 LWTRRFAGHQLTDS-UHFFFAOYSA-N 428.500 1.492 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1540074507 ZHSQGSAOQXMOSE-MOPGFXCFSA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540861963 NCIGRLBCQZWGNF-QGZVFWFLSA-N 438.536 1.292 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1540902332 HFVYQHMGGADEJM-LPHOPBHVSA-N 426.539 1.116 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541688209 RXSKOGMSBJGGBU-UHFFFAOYSA-N 434.504 1.733 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOc1ccccc1 1541945689 KKIPFJKXMKWVNV-WBVHZDCISA-N 434.522 1.086 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 1546528862 GADWSARMEIYFIH-UHFFFAOYSA-N 437.596 1.460 30 10 IDEE COCC(=O)N1C[C@@H](C(N)=O)[C@H](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548382081 ZICRVGXEMXVMQJ-DLBZAZTESA-N 438.450 2.000 30 10 IDEE CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)CC(F)(F)F 1554294251 PMEQXEQGRVVIKD-NVXWUHKLSA-N 441.502 1.843 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)c1 1554500113 SBAMHPLJIZUXOZ-DOTOQJQBSA-N 432.550 1.724 30 10 IDEE CN1CCN(CC2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)CC1 1556753152 QKLCFYXHWYRRHL-UHFFFAOYSA-N 432.366 1.463 30 10 IDEE C=CC1(CC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CN(C(=O)OC(C)(C)C)C1 1565748393 DIIGFCLDAHKWJT-UHFFFAOYSA-N 433.509 1.494 30 10 IDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2cc(C#N)[nH]c2C)c1 1568733309 BSHXUQCGMMKKTE-UHFFFAOYSA-N 425.308 1.974 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)C(=O)OC 1570221357 LMAOCNKRPJWVLU-QGZVFWFLSA-N 430.482 1.815 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1583661851 OYKXWATZXSMQSI-CYBMUJFWSA-N 429.336 1.738 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1588250796 ICHRUGQRZSBULW-UHFFFAOYSA-N 437.525 1.769 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCCC2)CC1 1588865383 WIQZQFBAIOBYJP-HXUWFJFHSA-N 427.597 1.276 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1589069621 MSKGFLRIJHTPRX-YJBOKZPZSA-N 427.530 1.872 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CC(N)=O)C1 1589109494 CIURYLLBPZATQC-HNNXBMFYSA-N 446.602 1.728 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1595658961 OMAXHMCUWXWONK-KRWDZBQOSA-N 440.504 1.731 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)nc1 1596978864 TYBZQRMJHOXGJU-HNNXBMFYSA-N 425.470 1.201 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NC[C@H]3CCCN(CC#N)C3)nn2)C1 1610951989 IJYDUCKMMXIPNC-IAGOWNOFSA-N 431.541 1.815 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)CC2=O)cc1Cl 1616200719 VBQLIAZVJGNUAN-MAUKXSAKSA-N 435.933 1.990 30 10 IDEE COCCCN(C)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619837979 OOXOIZDPSYLUJA-UHFFFAOYSA-N 425.537 1.734 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)s1 1622096506 QFAFJPZFDGASSJ-DLBZAZTESA-N 427.592 1.515 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCc3c(CC(N)=O)cccc3C2)cc1 1624164462 SESNGWZOWIHFDR-UHFFFAOYSA-N 425.510 1.990 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)C1 1626098725 RIOOOCSJMWTYAY-SFHVURJKSA-N 434.562 1.489 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1627412157 CGDHHXVLMWYSPL-FPLPWBNLSA-N 440.500 1.205 30 10 IDEE COC[C@]1(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CN(C(=O)OC(C)(C)C)CCO1 1632223861 PNPIGWKYSQXQBI-AVRDEDQJSA-N 433.505 1.703 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(CNS(C)(=O)=O)CC1 1635212335 NJFYVUWXXYIVMX-MRXNPFEDSA-N 430.571 1.751 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 1635733114 IJCJGBPNRCDAJU-UHFFFAOYSA-N 430.578 1.796 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1 1639969004 QUJMYYOTDXSTRS-FDDCHVKYSA-N 430.501 1.952 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](O)C(F)(F)C3)nnc12 1641732179 JTDKCOYUMBDICU-CQSZACIVSA-N 435.456 1.551 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)CCOC1 1641764944 XBBXZMVWPLWKNR-QFIPXVFZSA-N 428.489 1.143 30 10 IDEE C#CCN1CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1642207818 BKQBUIYFGZQFNG-QFIPXVFZSA-N 437.537 1.112 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 1644282153 XDACIXWPSXJCMB-UHFFFAOYSA-N 438.962 1.997 30 10 IDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)cn1 1645240378 WGJGDHYVTBYROU-SFHVURJKSA-N 425.470 1.949 30 10 IDEE Cc1cc(F)c(C#N)c(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 1655132054 LXTDGXHCPKHTOW-UHFFFAOYSA-N 430.461 1.848 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3cc(Br)no3)CC2)cc1 1657749112 AXFZDDKQVAGPQS-AWEZNQCLSA-N 441.307 1.349 30 10 IDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1677913670 FLZRHOSEUVFOSF-MRXNPFEDSA-N 442.559 1.846 30 10 IDEE C=C[C@H](C)ONC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1683556591 RUROVXOZMUUPPD-AWEZNQCLSA-N 427.523 1.910 30 10 IDEE CC(C)(CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1COCC12OCCO2 1683842991 GAYNRWGNRRPZIR-SFHVURJKSA-N 429.521 1.637 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689982845 VSEYLXZDONCZEQ-KRWDZBQOSA-N 449.964 1.704 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1690077072 HZGRXKCFRBCZGL-RTBURBONSA-N 447.561 1.458 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1690077216 KUKJHUHVYAGBGF-IRXDYDNUSA-N 439.582 1.801 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NC(C)C)CC1 1690113788 UWCYRQCWVCFCMO-UHFFFAOYSA-N 434.342 1.316 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nccnc2C)CC1 1690144284 SILICHYMMKKTPX-UHFFFAOYSA-N 444.543 1.955 30 10 IDEE C=CCn1c(CC(C)C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1690644382 IGHSJUYBRNZGFI-BZUAXINKSA-N 439.582 1.789 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690666297 ZFEVHZSFUIHUOT-XOBRGWDASA-N 432.912 1.680 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1690669300 AFXQJLGBUGRYGY-HNNXBMFYSA-N 445.911 1.260 30 10 IDEE CCc1nc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)no1 1694580179 FTMKKRAVPIONLI-GFCCVEGCSA-N 447.297 1.953 30 10 IDEE CCc1nnc(N2CCC(OC[C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694704697 KTJWEIPSDZTWRD-BZROSYFNSA-N 444.536 1.389 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)cc1OC 1696128053 KKMNKMTZYARDRZ-KRWDZBQOSA-N 428.493 1.607 30 10 IDEE COCC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1697798463 SJJPIKWLUVVSSB-CVEARBPZSA-N 440.570 1.214 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1698458699 AELJTLYLUSLDHQ-YOEHRIQHSA-N 437.504 1.809 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCSC1 1705622449 IPASKBLMYRAQPJ-QGZVFWFLSA-N 440.367 1.990 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCOC[C@@H]2C)CC1 1705640709 BMUMDZDQDUGOJS-IBGZPJMESA-N 426.540 1.484 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1705824554 TUPILXHCOPSRPO-QFIPXVFZSA-N 448.568 1.070 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(C)=O)CC1 1705828889 BGXRLIMEWLZBCV-UHFFFAOYSA-N 444.536 1.951 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1 1705837386 ZGUQLEAKECYAFY-HXUWFJFHSA-N 435.550 1.623 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1705918280 GERLQHRUYVFCLQ-MGPUTAFESA-N 436.509 1.415 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705930814 WMFNDNUWNPAKPC-RTBURBONSA-N 438.642 1.609 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705937543 XEEJLPKQFZZCMU-UHFFFAOYSA-N 446.577 1.268 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1 1708151350 DNUWTWOTNAFSCT-IRXDYDNUSA-N 437.548 1.878 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O 1712833905 QDBQJHYIZPSCTA-SUMDDJOVSA-N 444.561 1.305 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(-c2ccc(F)cc2)n1 1722345330 OVJHSYLDWXFNMG-OAHLLOKOSA-N 445.524 1.525 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722363485 UKSPWPIZDFNLBN-OAHLLOKOSA-N 432.502 1.071 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722371849 ZCFISIUNWKFUIH-JWHDQAAXSA-N 436.578 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(COC)CCOCC2)CC1 1722446959 FBYUXJBJFRBXAC-UHFFFAOYSA-N 431.581 1.886 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1722474178 MKILZFQAWUOXKK-QVKFZJNVSA-N 445.520 1.950 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722613922 VHDVBCHVFNCCQK-NRFANRHFSA-N 442.612 1.876 30 10 IDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722619584 ANXSYDVIYGBBQP-QGZVFWFLSA-N 449.581 1.649 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722695281 YPFABTVVICJLDV-IBGZPJMESA-N 435.532 1.277 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1722725733 RFYGXPZLIMTQSV-HUUCEWRRSA-N 430.534 1.618 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1729397577 XHLMOXCLULQAPP-RXVVDRJESA-N 445.545 1.494 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1740543046 HWYFRCZXAIGNOW-HZPDHXFCSA-N 425.489 1.627 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CC1 1740553934 VQADCXJQFVWZFW-JTBPQFFMSA-N 427.578 1.821 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1740624578 IFTYBGYOQMBAQU-IBGZPJMESA-N 440.504 1.473 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@@H]1C 1740680812 OKJIIGRWMZYKDE-JTSKRJEESA-N 446.573 1.986 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nc(C)c(C)s2)CC1 1740692965 RYEBTCSVJUSNNA-NRFANRHFSA-N 430.578 1.807 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(=O)NCCc2ccccc2)CC1 1740708198 GKIIZOMIJPDHJK-UHFFFAOYSA-N 448.571 1.555 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740823316 AWJMAOZKTYGTLL-ROUUACIJSA-N 429.569 1.328 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC1(C(N)=O)CCOCC1 1740917502 USQVTGCFXAMMAF-UHFFFAOYSA-N 440.548 1.891 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC1CC1 1741196171 KTCVCGXXBSQTDN-UHFFFAOYSA-N 436.564 1.986 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1744348570 FDGRVDQFHGFXJS-GOSISDBHSA-N 432.550 1.564 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ncccc1N(C)C 1744696585 GCVWNIRBBFPTQB-MRXNPFEDSA-N 432.536 1.727 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1748671983 OWBNHHJIRYPTAX-QAPCUYQASA-N 435.525 1.565 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(C)CCCO2)c1 1748693008 VFFONPFAKKGKPQ-JPYJTQIMSA-N 436.516 1.855 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1748825087 PGCXGINWWFFGET-UHFFFAOYSA-N 440.548 1.986 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1748971379 NEKLTTIRLBHHMK-HXUWFJFHSA-N 435.576 1.794 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCCCC2)CC1 1748978227 ILBWZNBFPQEHHW-QHCPKHFHSA-N 430.597 1.561 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749024171 HXIQRMCETTYMAG-HNNXBMFYSA-N 429.546 1.996 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1 1749528637 WYWHCYSJBMTOJJ-UHFFFAOYSA-N 449.515 1.795 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1749659827 KEOPSOYJNKUJRT-UHFFFAOYSA-N 440.548 1.997 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@H]2OC)C1 1749711768 CDUJXPOXLWRILR-BRSBDYLESA-N 440.566 1.013 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2nc(C)cs2)CC1 1749739850 LAHVWGAWKOLSMO-UHFFFAOYSA-N 440.595 1.507 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCNC(=O)[C@H]1CC 1749740162 RKIXNNDKDRAQGL-GOSISDBHSA-N 447.561 1.481 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@H](C)CC#N)CC1=O 1749861738 FTEMELSZYZWRJL-CVEARBPZSA-N 440.504 1.907 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OC)cc1 1750154338 LWSIRGRQVWVOPL-SXLOBPIMSA-N 427.505 1.982 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1751107264 YQKPPSHBSLIPFN-CRAIPNDOSA-N 428.493 1.234 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1752278756 NEUKEZWGIVERDZ-RHSMWYFYSA-N 446.458 1.820 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1752362387 RICKNTKTUUCHRS-GVOGQVFTSA-N 432.550 1.639 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)OC(C)(C)C 1760104920 JIGXCQWJULJBBH-OAHLLOKOSA-N 437.508 1.903 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOCC1(C)C 1760173207 NNBRTFLNGZQREO-UHFFFAOYSA-N 431.562 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1760201499 DXPDSOZOJMSEPW-QFBILLFUSA-N 432.484 1.718 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1760210134 NARHJTUXUABTJL-INIZCTEOSA-N 446.602 1.907 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760268016 JXIRGPJKKYGHHF-LJQANCHMSA-N 449.559 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1760269588 LYUPGLKREJWTIF-LJQANCHMSA-N 437.548 1.257 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](COC)C1 1760280754 ITUGRLXJFMEDLY-IAGOWNOFSA-N 426.608 1.800 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNS(=O)(=O)CC)CC1 1760383360 NRYZGFSRQPBBNN-IBGZPJMESA-N 427.571 1.414 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760552192 FTVHUVYADNWQSS-GOSISDBHSA-N 447.609 1.090 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763045990 NFARZGBOQZSYSU-UHHPSXQGSA-N 443.552 1.815 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1766171512 CUZRQEAXWBSHPN-LZICOFPGSA-N 425.493 1.805 30 10 IDEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(F)c1 1766886276 HWGFGAWDQPDFIV-OALUTQOASA-N 441.511 1.685 30 10 IDEE CCOCc1nnc(N2CCCC[C@@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767904067 LKGCQBAHBCVNDE-ZBBYCGENSA-N 432.525 1.594 30 10 IDEE COCC(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1769161211 ZCPYSPFQGVGKIJ-SFHVURJKSA-N 428.493 1.764 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1770745398 XLZUKJMURZJJAV-SFHVURJKSA-N 444.561 1.802 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1771529495 OUZKWCFVJFTADL-UZLBHIALSA-N 448.524 1.593 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1772566810 WWDXAXRRQCMJNL-QGZVFWFLSA-N 448.568 1.968 30 10 IDEE N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CCO1 1848471472 SEKNTHDVLUPVMV-HNNXBMFYSA-N 442.335 1.601 30 10 IDEE C=CCC[C@@H](C)CNC(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1850555214 KROCKBPRIJCGGB-OAHLLOKOSA-N 432.546 1.682 30 10 IDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](Cc1ccccc1)NS(C)(=O)=O 1851177033 GAELTEGGMWTXKA-XJKSGUPXSA-N 435.937 1.781 30 10 IDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C(=O)C1 1855396543 YVNKOLNAYZEPEF-UHFFFAOYSA-N 427.526 1.978 30 10 IDEE CC1(C)C(=O)N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1CCC#N 1855912177 ORLYQGWNSHJEJH-UHFFFAOYSA-N 432.546 1.450 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1F 1857087646 TXQNVFXEVMYHNK-ZDUSSCGKSA-N 431.445 1.768 30 10 IDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 1861174629 BIAWOPKHADWWOB-HXUWFJFHSA-N 428.577 1.859 30 10 IDEE CCOC(=O)C1CCN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868782234 FRERZOFTJCIPNR-GOSISDBHSA-N 446.573 1.943 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCO3)cn1CCO 1870433174 JOTCVDVZFVLWMK-UHFFFAOYSA-N 441.484 1.761 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN(C)CCO 1870736761 PQELJQDKYBCWIV-UHFFFAOYSA-N 431.489 1.493 30 10 IDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644507 WSCYKZJJWGMXFE-UHFFFAOYSA-N 442.480 1.552 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NC[C@H]3CCCO3)ncnc21 1875228449 OXFVRYQKESAYCI-QGZVFWFLSA-N 448.531 1.961 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN3CCCCC3)OCC(=O)N2C(C)C)cc1 1889303435 QJRFMGUORNWQTL-PKTZIBPZSA-N 427.545 1.978 30 10 IDEE COc1cc(S(N)(=O)=O)cc(C(=O)N2CC=C(c3cncc(C#N)c3)CC2)c1OC 1891279984 UZOSNLSMTZBGIU-UHFFFAOYSA-N 428.470 1.547 30 10 IDEE C=CCCCCO[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 1911531581 KGJIVLVRKRBNOW-KNJMJIDISA-N 429.466 1.015 30 10 IDEE C#CCn1ncc(NCCN(C[C@H](C)O)C(=O)OC(C)(C)C)c(Br)c1=O 2106031993 DBEQZXILXUGQSV-LBPRGKRZSA-N 429.315 1.669 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248587020 KNRPHVFBFRQUIZ-CQSZACIVSA-N 432.307 1.842 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2251462764 YLIBXFYUGKRAMA-NSHDSACASA-N 429.333 1.963 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)n1 2255610010 XCYQSYKHIUXYBW-QGZVFWFLSA-N 426.326 1.936 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2267153457 BUWLKWCYPXBCFR-HNNXBMFYSA-N 446.357 1.933 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@H]1OCc1ccccc1 2267482847 JIMUZRIYRANTEZ-RBUKOAKNSA-N 441.337 1.823 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2267608701 XREWXWKLBSEOGL-ZDUSSCGKSA-N 449.361 1.632 30 10 IDEE C[C@@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2277955059 HRBFCIPPJWVDDR-GFCCVEGCSA-N 429.369 1.933 30 10 IDEE CC#CCN(CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)C(=O)OC(C)(C)C 2300539944 SMAOIWXUKLYQFQ-SJORKVTESA-N 439.553 1.981 30 10 IDEE CCOc1cc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1O 2322614629 IYQLERDHKIDIHK-LBPRGKRZSA-N 426.882 1.807 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2332885861 UIRUESZPWXJEMB-MGPQQGTHSA-N 426.267 1.600 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2334264754 KXPIMWDTOCMWBV-DZKIICNBSA-N 444.341 1.761 30 10 IDEE CC1(C)OB(c2ccc(CN3C[C@H]4CS(=O)(=O)[C@@H]4C3)cc2Br)OC1(C)C 2377421350 AVUDFSOGXOYEGI-XJKSGUPXSA-N 442.184 1.977 30 10 IDEE CN(C)C(=O)c1ccc(C#CCNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)cc1 96348241 FASGBOJORDEIFC-QGZVFWFLSA-N 436.537 1.639 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 427992093 LYQIHSCXSNWJQK-CQSZACIVSA-N 428.518 1.174 30 10 IDEE CC(C)Oc1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C#N 435549692 LLORRQRFXGZSKR-UHFFFAOYSA-N 437.522 1.072 30 10 IDEE CN(CCNS(=O)(=O)c1ccc(F)c(C#N)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 445715545 GBUGZCFPDGNELK-UHFFFAOYSA-N 440.453 1.307 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 464543546 AVPQZLJRYBSCFE-BJZITVGISA-N 430.530 1.084 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 472768784 NTNMVPAIBAYQOW-UHFFFAOYSA-N 447.478 1.706 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CC1 485696281 DRDBEZGXNDQHOV-UHFFFAOYSA-N 440.525 1.625 30 10 IDEE C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508815503 BFOOHYUCTFCADV-OAQYLSRUSA-N 438.576 1.987 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 521673809 YUYWBLDCYBUDAY-OAHLLOKOSA-N 445.491 1.492 30 10 IDEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 549767215 XZIJQMXNSMTAIH-HXUWFJFHSA-N 426.521 1.991 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cn2)C[C@H](C)O1 568804238 LZOPOZUINYQOJG-HOTGVXAUSA-N 443.529 1.162 30 10 IDEE N#C[C@]1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCSC1 603885490 APVDIDCCYINSPF-LJQANCHMSA-N 448.526 1.090 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 620445757 KLVJFHXANDYMHS-GOSISDBHSA-N 443.529 1.824 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)c1F 669653410 DICJIQHASCXTGK-AWEZNQCLSA-N 442.512 1.966 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 727418039 NMKGTKHBYWWSBU-UHFFFAOYSA-N 434.521 1.702 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(F)c1 729879796 OAZWYPYXPQVLDN-UHFFFAOYSA-N 427.461 1.674 30 10 IDEE N#C[C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CC1 732649582 KQXMSESLSUFGMW-PKOBYXMFSA-N 447.517 1.337 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)cn1 733077530 BHMLMSMZAKHTGT-IIBYNOLFSA-N 449.577 1.516 30 10 IDEE C#CCN(Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1)[C@@H]1CCS(=O)(=O)C1 744398547 LYDQRTLZKYLLHK-CYBMUJFWSA-N 427.429 1.969 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC2)CCN1C1CC1 752847460 WKPHPAQFVWQCDF-RDJZCZTQSA-N 441.561 1.483 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O 757304374 GKQNLYVLLDKJKI-KBJGYGKASA-N 448.475 1.963 30 10 IDEE CC(C)(C#N)CS(=O)(=O)NC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 778707069 KFVGURPNCWKFTN-AGUYFDCRSA-N 427.523 1.444 30 10 IDEE N#CCCN(CCC#N)C(=O)COC(=O)c1c(N)cccc1I 780276572 CGQBUDCOTCXATE-UHFFFAOYSA-N 426.214 1.686 30 10 IDEE C#CCn1ccc(CN(CCOC)Cc2cc(=O)n3cc(Br)ccc3n2)n1 789322734 ALCZNYRACUCTJC-UHFFFAOYSA-N 430.306 1.935 30 10 IDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 792785479 RSLPTVLPGWJIOV-WUQYLLKWSA-N 439.493 1.824 30 10 IDEE CC[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCOC2)O1 794303601 OPYLJMAEAYCECK-NRJQMVOHSA-N 449.573 1.936 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCCCC(F)(F)F)c2=O)cn1 794653648 CJLFLNXUWKXMHA-UHFFFAOYSA-N 441.479 1.498 30 10 IDEE C#C[C@@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 798362906 NLJHHTRUHUEWRY-ZWKOTPCHSA-N 443.573 1.443 30 10 IDEE Cc1cc(COCC(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)on1 809124038 QVSPINRWICIKAT-UHFFFAOYSA-N 432.227 1.778 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 812177343 DCEIFQIQGMGZDH-HOTGVXAUSA-N 447.540 1.376 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 812189044 YCOXAZDKSXBZHJ-QGZVFWFLSA-N 448.570 1.551 30 10 IDEE CO[C@@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)C1CC1 814707816 XHXLRPCABXONNM-RBUKOAKNSA-N 443.573 1.983 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)ccc1OC(F)F 916197480 UTUBGHPIWJXMHT-AWEZNQCLSA-N 433.436 1.725 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1 917508791 GHSPJOKRPNHZPQ-KRWDZBQOSA-N 430.486 1.838 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC3CCC4(CC3)OCCO4)cc2C1=O 918812443 ODZQEYBEXAZGAP-UHFFFAOYSA-N 428.441 1.427 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1132192999 SVDJNRSNQNUYHS-MRXNPFEDSA-N 430.910 1.512 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1139788095 KZJIWWWXNHBGJV-ZWKOTPCHSA-N 445.882 1.374 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1 1166601605 VBGNETHHWLDZBB-ZIAGYGMSSA-N 440.465 1.198 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br)C(=O)OC 1212123804 XUWYFXPXQXJDJV-LBPRGKRZSA-N 432.292 1.777 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1213831623 CAVQTTOZGUETMH-UHFFFAOYSA-N 427.592 1.435 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN1C(=O)OC(C)(C)C 1234106028 HYXWBKROKGZEBF-MMMWYMCRSA-N 426.539 1.354 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1251248718 JNFDKRLSBWIFCX-QRVBRYPASA-N 430.553 1.285 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286301011 ZOGKGJKUNKKGFS-YSIASYRMSA-N 442.589 1.926 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCS(C)(=O)=O 1286349687 MKFKAPJMHNPLDL-UHFFFAOYSA-N 431.566 1.346 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)N2CCOCC2)C1 1286805393 SDDJDWPCMDZKDP-IBGZPJMESA-N 427.505 1.594 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1288513623 GLZWBRRGGYXZOF-OAHLLOKOSA-N 440.504 1.737 30 10 IDEE COC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 1288915547 MFOWTBFUCBNMPC-UYAOXDASSA-N 435.546 1.517 30 10 IDEE CC/C=C\Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1293668579 VAQQECWXJIYPCA-OGZRUICASA-N 444.565 1.448 30 10 IDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2)S(C)(=O)=O 1295811246 VIRCNVGBVUNUMN-OALUTQOASA-N 444.561 1.856 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1296340648 WVGLETVOBZIXEW-KRWDZBQOSA-N 427.490 1.371 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)c1 1299291931 DVINPLAARCYDDS-LAUBAEHRSA-N 444.561 1.868 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC(C)C 1300555058 RRRSIIIQYXHCBN-UHFFFAOYSA-N 440.935 1.849 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1300564977 JVHQXDUJAVVWGH-UHFFFAOYSA-N 447.586 1.688 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(NS(C)(=O)=O)CC1 1300897226 PLAWPNGBCKDLRZ-YJBOKZPZSA-N 427.571 1.314 30 10 IDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300993790 HCSDOGFLZCNIPI-UHFFFAOYSA-N 444.555 1.811 30 10 IDEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301231630 LNLNMJZZLHIYPX-GOSISDBHSA-N 438.532 1.587 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301578572 FBKJEVOLHGZNNQ-CQSZACIVSA-N 433.456 1.652 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1Cc1ccc(C#N)o1 1301979340 FESUCGBCWCREQT-OLMNPRSZSA-N 428.493 1.762 30 10 IDEE N#CCCN(CC1CC1)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1303012830 JFNUSECJVQJBIQ-IBGZPJMESA-N 435.575 1.610 30 10 IDEE CS(=O)(=O)CC1(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)COC1 1304252646 PLDZCCGSWYERGM-HTQZYQBOSA-N 445.328 1.677 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1314886413 PIVGFYGBSDCXMB-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1315869604 PCPQGWAUAGHRTK-UHFFFAOYSA-N 445.545 1.946 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cc1 1352641996 HPXWPLXXPLZFKM-UHFFFAOYSA-N 432.889 1.956 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358900789 RXCCRRWPXGQQND-WNRNVDISSA-N 437.610 1.936 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1358977622 QZMLGXQNRDGBQJ-KRWDZBQOSA-N 447.586 1.941 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1359030186 PYGCPUZVDOGLHZ-WZONZLPQSA-N 442.539 1.379 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359058244 WWRZJBNTVDVMDK-UHFFFAOYSA-N 427.640 1.999 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359121128 YDFALGPWMIXDTM-GOSISDBHSA-N 429.569 1.330 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359135705 LWUJEDJVGWVTHJ-QGZVFWFLSA-N 434.541 1.708 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)Cc2ccccc2)CC1 1359165560 RLMYQVNMLGKDHK-IBGZPJMESA-N 443.573 1.995 30 10 IDEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359203884 XUCBLAFCULDIKY-SFHVURJKSA-N 430.553 1.803 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359219527 SZDWLJVTWBXDMD-UHFFFAOYSA-N 440.596 1.850 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1359228104 UILPLTUKFAIPQC-HNNXBMFYSA-N 433.525 1.160 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1359258442 QROOYEXDGRTGAA-MSOLQXFVSA-N 429.546 1.857 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(C)=O)CC1 1359278444 UZJJCAHPXFKNRW-UHFFFAOYSA-N 441.536 1.823 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCSC2)C1 1359313681 PUWBDASQGSMVBT-BZUAXINKSA-N 429.612 1.813 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1359337588 WGWXIFFUXHICSM-OAHLLOKOSA-N 445.611 1.193 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Cl)cn2)CCOC1 1360347742 MSADQAVCRAVKMG-QFBILLFUSA-N 435.916 1.598 30 10 IDEE COC(=O)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1442692549 GXPVLXIBPNFTMS-CQSZACIVSA-N 435.234 1.004 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](N4CCNC4=O)C3)C2)C1 1442732315 POGTXBZQNDNEFS-IZCOPSDLSA-N 431.537 1.789 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C[C@@H]3CCCOC3)C(=O)OC)ccc2c1=O 1457973503 YBKRQRWSKVUPJO-GUYCJALGSA-N 431.514 1.959 30 10 IDEE Cc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1B1OC(C)(C)C(C)(C)O1 1464715939 BFKLINSWMYORPR-FQEVSTJZSA-N 443.397 1.967 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1468665695 FDJOOZPZJSOHLI-UHFFFAOYSA-N 429.521 1.270 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 1469872772 UTDLGEOUXZADPV-LJQANCHMSA-N 426.498 1.645 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(Oc3ccc(F)cc3)n2)CC1 1470718886 PQKDKYAEPCUAKO-UHFFFAOYSA-N 447.492 1.308 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCCN2CCCC[C@H]2C)CC1 1471451852 ZTSCJKSHLRNZNE-LJQANCHMSA-N 448.589 1.165 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1507592679 XGGPTELVSGSPTL-QGZVFWFLSA-N 442.470 1.883 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(C(C)=O)CC1 1507593236 XVEPICKMEQVEMB-UHFFFAOYSA-N 436.564 1.924 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1507672634 FXYDRDBTQVCPSW-UHFFFAOYSA-N 425.514 1.626 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@@H]1C 1507703712 YGGRMCBGTZRMCZ-UZUQRXQVSA-N 441.507 1.719 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1507710932 XBNFEQSGWTYVIU-GOSISDBHSA-N 433.516 1.818 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccccc2)CC1 1507731110 AQKMANAKPJXFHO-WOJBJXKFSA-N 443.573 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(F)cc(OC)c2)CC1 1507738803 ZBOSSVPQXKQBKF-UHFFFAOYSA-N 449.490 1.897 30 10 IDEE C=CCn1c(N2CCN(C[C@@H](O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1508066742 FAZWENMOQHLJBC-NFBKMPQASA-N 427.549 1.972 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)C1 1510306787 UYYHJTBPKDSTMY-HSZRJFAPSA-N 437.548 1.631 30 10 IDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1512676468 MFSZQOQFFNFKGL-YADHBBJMSA-N 427.505 1.885 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1515957908 DLKRJWLIZGHWGL-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1516860053 HCPUWXPMCQKBGV-WTCFHCGNSA-N 442.589 1.742 30 10 IDEE Cn1ncc(CCCn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)n1 1517422356 HSFPZZUMIBQRPW-MRXNPFEDSA-N 426.456 1.486 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCCC2)nnc1N1CCN(CC(F)F)CC1 1521423083 IFXWCBPFQYWGCL-CZIZESTLSA-N 449.506 1.849 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C1CCOCC1 1529522388 VSFQUJRFFRJMLF-OAQYLSRUSA-N 432.542 1.835 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1539085874 SJDLACGOLZIGQT-TUFLPTIASA-N 431.581 1.963 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1539120680 YHTQVZWUEQLMRQ-CQSZACIVSA-N 432.468 1.941 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(C)(=O)=O 1539161530 HKSGWRJHEWTDMN-UHFFFAOYSA-N 442.339 1.335 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1539178361 HGUVVQWPOUCAHK-KRWDZBQOSA-N 425.518 1.187 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)CC)CC1 1539462018 AQEIOXZAMRBAMT-IXFSTUDKSA-N 446.596 1.965 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCOC[C@H]2C)CC1 1539462834 MACMKSIGBNDIGE-NJDAHSKKSA-N 444.624 1.673 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1539557283 PLMNHUAUDPHYNR-LAUBAEHRSA-N 429.546 1.228 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539758877 UKXLKCFTHRCXJM-SFHVURJKSA-N 432.569 1.734 30 10 IDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(=O)(=O)CC)CC1 1539842932 SDINDUODGRBSFT-UHFFFAOYSA-N 442.545 1.783 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N2CCOCC2)CC1 1539859061 IPVFSFQCOUMDQS-UHFFFAOYSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1540867593 AOMMJOWYDMERNO-MRXNPFEDSA-N 438.492 1.727 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1541803431 IBAOHAJXYUYMQS-OCCSQVGLSA-N 431.547 1.972 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2nnn(C)n2)cc1C 1542425902 DFXXNIQSWHORTM-OAQYLSRUSA-N 434.508 1.849 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)n1 1542633297 GQBSPDPYECLIIF-QGZVFWFLSA-N 438.513 1.829 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN(C[C@@H]4CCOC4)CC3)C2=O)cc1 1544028625 WBUDJEOROOTSPF-FXAWDEMLSA-N 439.516 1.380 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@H]1C 1547637779 BDMVCXAPJBZVQK-IAGOWNOFSA-N 445.593 1.627 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1OC 1555671937 SURQXPNLEYBWEB-YJBOKZPZSA-N 431.493 1.796 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1555995439 HMQXHMFFSMYFJP-QGZVFWFLSA-N 437.566 1.242 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C1=O 1557914163 CHENQXLRPXKFTB-DNQXCXABSA-N 447.495 1.941 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1561743820 QDGFQGBMTWDRMY-NZSAHSFTSA-N 426.535 1.875 30 10 IDEE C#C[C@@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1564117548 RJCDVZIKBSWXRD-MRXNPFEDSA-N 435.546 1.912 30 10 IDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1565064147 YVZCDZNVUVOWJB-MKXGPGLRSA-N 428.599 1.803 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587632985 QNVVKCDFWSDKDW-IRXDYDNUSA-N 428.537 1.885 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1587702570 ZDXDJCZDPXHAKL-OAQYLSRUSA-N 442.545 1.744 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1587860801 BISFATKROHYCCE-LJQANCHMSA-N 438.557 1.792 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC(C)(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588054429 NQCKVXKHAIUURD-IAGOWNOFSA-N 433.578 1.682 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588064584 KZEXHZBXEMPFPA-LJQANCHMSA-N 443.573 1.586 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588065110 UPCKIDWAJFSJFO-UYAOXDASSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1588166439 GSYILXSQNIWPFR-DQRAZIAOSA-N 448.458 1.595 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1588185871 OXKVAGDMPCPPQH-QHCPKHFHSA-N 443.548 1.872 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1588293164 PLMRPYLAQTYVKT-UHFFFAOYSA-N 448.545 1.362 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2cccc(C(=O)NC)c2)CC1 1588924218 XOICTTLZQVDXBV-UHFFFAOYSA-N 434.544 1.724 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@H]1C 1595283536 RJFVKPARMJXWNJ-AOMKIAJQSA-N 430.505 1.895 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1595569616 KRLZENDVPXVSAC-UHFFFAOYSA-N 442.568 1.325 30 10 IDEE C[C@@H]1CCCCN1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1612771541 WVBQUFWOLLKVEA-RTBURBONSA-N 429.569 1.784 30 10 IDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)[C@@H]1C 1612836809 GFYNDJJVDVZUHQ-JKSUJKDBSA-N 429.546 1.991 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1619990552 VNZFPIAACJJMQI-XLIONFOSSA-N 438.548 1.679 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccc(C)cc1 1620024145 DRJHJZBEXUYRCQ-MJGOQNOKSA-N 442.520 1.469 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCOC1 1620032967 QFWADQCNUZXBCZ-JBYGMCGMSA-N 441.532 1.897 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1620045504 VVPBDYNKJMXAML-XXBNENTESA-N 438.532 1.927 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1620077552 ULCKFOMTQQQXLJ-GHTZIAJQSA-N 440.548 1.637 30 10 IDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](CO)Cc1ccccc1 1620412894 FTPLDTNHDXFZLP-LJQANCHMSA-N 449.511 1.990 30 10 IDEE CNC(=O)NC[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1620498177 HESXSTOAZXFZLD-WOJBJXKFSA-N 430.528 1.318 30 10 IDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1626788538 AMDQLNHLHZFUNM-AUUYWEPGSA-N 449.554 1.717 30 10 IDEE CC1(C#N)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1637218708 UZLCKWNPZXTJRQ-OAGGEKHMSA-N 425.551 1.809 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1638977276 QNXYMQCHKFSKPX-QZTJIDSGSA-N 436.553 1.528 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(CNS(C)(=O)=O)ccc3OC)cc2C1=O 1641072916 WZPXPSMEGVWFHW-UHFFFAOYSA-N 443.481 1.779 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CN(c2ccncn2)C1 1643071346 DIFZGBYGOOMICR-MRXNPFEDSA-N 428.518 1.079 30 10 IDEE C#CC1(O)CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 1646157410 QCSNIHYZISVDSI-UHFFFAOYSA-N 434.539 1.939 30 10 IDEE COC(=O)[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(C(F)(F)F)cc1 1646162862 MBXSUNALBHMGGX-KSPIOAOGSA-N 425.363 1.952 30 10 IDEE CO[C@]1(CO)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1647428137 APSUUZLSCFUBIE-UZUQRXQVSA-N 430.549 1.829 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@H]2CCOC2)CC1 1648474071 YJZWVEBPOKIJMR-BVYCBKJFSA-N 430.524 1.662 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811585 JKPNTUUWQRWNBO-IAGOWNOFSA-N 447.488 1.820 30 10 IDEE C#C[C@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 1678393858 CMZULLJIDNJBRA-ZDUSSCGKSA-N 428.294 1.585 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC(=O)N1CCOCC1 1689864737 HJZDKIRHFQSMCP-QGZVFWFLSA-N 427.505 1.573 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCSCC1 1690006062 HWEKGKYWIDCVNZ-UHFFFAOYSA-N 443.598 1.470 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H]2CCOC2)CC1 1690137731 HOWAWASYVUMVFO-JPYJTQIMSA-N 445.564 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCCC2)CC1 1690146195 HYSNFIAQOGDQAZ-FQEVSTJZSA-N 428.581 1.624 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)C1 1690903866 ASURVQKPWNIRTN-LJQANCHMSA-N 435.532 1.967 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1692586786 PMLTUSWPWUXWAR-SFTDATJTSA-N 436.532 1.923 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)cs1 1693362463 WBYUJFLEIQVIEL-QGZVFWFLSA-N 431.566 1.473 30 10 IDEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1694709530 NNLKPZDYVROHKW-UGKGYDQZSA-N 443.573 1.721 30 10 IDEE CCc1nnc(N2CCN(C3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694746507 PGZVLIGSPSCXMP-MRCUWXFGSA-N 427.553 1.822 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696055454 GBALBGJABNBMIE-SFTDATJTSA-N 428.493 1.406 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCN2CCCC2)CCOC1 1696098827 WBQXIDDDFVLFFF-DENIHFKCSA-N 432.569 1.925 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1csc(COC)n1 1705585608 VWOMZOLBDFSGTM-UHFFFAOYSA-N 440.554 1.994 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1 1705586154 WQRRZJPWFQBSLF-UHFFFAOYSA-N 441.293 1.264 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705604934 WZCUPTKKFIRYBW-GJZGRUSLSA-N 442.586 1.651 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Br)n2)CC1 1705632572 UVVBBZWPUFESGJ-UHFFFAOYSA-N 446.353 1.377 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1705635538 AYZQFCJILWLJSK-UHFFFAOYSA-N 438.557 1.397 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)[C@@H](C)CC)CC1 1705638184 BLJQOJHSLOETBK-KRWDZBQOSA-N 427.553 1.491 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CC2)CC1 1705645489 VQTFTMYZVORGLW-HNNXBMFYSA-N 448.593 1.044 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1705652612 GXFRWAGWMMPKQQ-LJQANCHMSA-N 430.597 1.901 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705657915 VMFQHAUJXLVXGR-UHFFFAOYSA-N 440.573 1.782 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705896442 MYLIQPPWPHRFRY-FPOVZHCZSA-N 449.559 1.666 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705906207 WXETUVSKLWRCJS-HNNXBMFYSA-N 443.577 1.431 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705909161 PFJXTDLYBHAGKV-GOSISDBHSA-N 430.553 1.803 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)nn(C)c2OC)C1 1705915824 XFKDBUVEMTUHGL-MRXNPFEDSA-N 443.552 1.648 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCC2)C1 1705924113 AZQQGJRKONKDFZ-GUDVDZBRSA-N 437.610 1.693 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2C[C@@H]2C)C1 1705924922 HPIRTSGKMJBRQD-NXOAAHMSSA-N 425.555 1.048 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1711418272 JFFRDJPELOQJTR-GOSISDBHSA-N 444.561 1.497 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722398735 BWPSJGKBCLKMBU-GOSISDBHSA-N 426.546 1.008 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccccc2)CC1 1722438339 WCFZMGAOTSVMBF-UYAOXDASSA-N 427.574 1.739 30 10 IDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1722460579 IBRAJQZKTHLBBI-UHFFFAOYSA-N 440.617 1.802 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1722529633 XTDOOKCKHPWTQC-YESZJQIVSA-N 427.571 1.486 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722532378 KIOIIUBOCMANTN-RTBURBONSA-N 431.585 1.038 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722535562 KGEMTGSIADHZSD-UHFFFAOYSA-N 444.580 1.975 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1)C1CC1 1722650541 DXNFYYJMEFZXRT-GOSISDBHSA-N 443.573 1.937 30 10 IDEE C=CCn1c(N(C)C2CCN(CCn3cccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1722689198 JNAJRPZVXKRYRL-JOCHJYFZSA-N 429.569 1.914 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2)CC1 1722701867 GVUUQWKWCJRTPN-UHFFFAOYSA-N 437.548 1.419 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccn(CC)c2=O)C1 1722708811 DMCHIKDHVUEANM-GOSISDBHSA-N 449.515 1.937 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H](C)C1CCC1 1722726727 BHXLPLXENMLWII-RDJZCZTQSA-N 444.623 1.796 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1729490593 CYVFLJOONAWBPC-HNNXBMFYSA-N 449.533 1.528 30 10 IDEE CNS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1 1729747126 GERRLMCXUDXGKH-HNNXBMFYSA-N 448.459 1.886 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1730414935 QHMHAGZKAAJZTL-ZRGWGRIASA-N 433.459 1.927 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1740622166 ACJGGZHTIASQQX-KRWDZBQOSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1740623553 WNTJQFFZYWILKZ-GOSISDBHSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1N1CCOCC1 1740659397 YNZZRETVWUGPKN-UHFFFAOYSA-N 447.543 1.143 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1N1CCOCC1 1740661098 QFZOAVTYHFWYPQ-UHFFFAOYSA-N 428.512 1.900 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740751645 NFIOLFKNWUMLKA-SZMVWBNQSA-N 446.552 1.819 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCOCC2)CC1 1740834210 NDECKEXKZPJKJZ-UHFFFAOYSA-N 439.520 1.577 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740839686 LTIZBLRMTBZXJN-OAQYLSRUSA-N 434.537 1.960 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1740857986 GIANQDRORGDBTJ-INIZCTEOSA-N 438.598 1.693 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740963460 LMKZOZMNXUEMRZ-IBGZPJMESA-N 437.552 1.788 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746458662 DMTCLYSZLGPHPT-CTNGQTDRSA-N 438.580 1.266 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1746590196 CGBROJVKGYFLHM-QGZVFWFLSA-N 440.504 1.969 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2nnn(C)n2)cc1Br 1748606682 BLJXTEDOUGJQCT-LLVKDONJSA-N 446.313 1.884 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@@H]1C 1748665119 NSTYKDLQIMCQLU-MDOVXXIYSA-N 432.550 1.236 30 10 IDEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1748703542 SISGZVXGOLGWDK-QGZVFWFLSA-N 426.908 1.549 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1748752402 WIOCLYBJZRULMY-LJQANCHMSA-N 435.594 1.142 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCc1ccco1 1748956766 IHYWHYPRYGOWMD-UHFFFAOYSA-N 428.880 1.989 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749027419 YIYHSXXYLSJKKK-UHFFFAOYSA-N 436.541 1.977 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749369803 ZKRVNTFZDCOKOP-CVEARBPZSA-N 432.504 1.007 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749461168 OAZMGQNPOZWCJW-HZPDHXFCSA-N 444.561 1.577 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1749657913 FUXAMSBFHDHNGS-DOTOQJQBSA-N 444.536 1.516 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749745298 YMLJQCSOXJVANY-ARFHVFGLSA-N 429.612 1.813 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1749791661 NOOYRSRBZPDOQG-TZIWHRDSSA-N 438.532 1.927 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)C1 1750378291 GUULGJALKPIOOR-FRQCXROJSA-N 441.529 1.208 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1760188884 DMPANUWPDQTIRX-GHTZIAJQSA-N 431.562 1.298 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760440902 SQILBCQQTNVJTQ-OAHLLOKOSA-N 445.611 1.007 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760525255 ZDCXCIMKHZBYKO-KRWDZBQOSA-N 428.924 1.636 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762597216 MTOLWKBSOHDTGP-DQRAZIAOSA-N 435.532 1.825 30 10 IDEE CN1CCN(CCn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1769076862 BZWWGCIRMKTJKO-OAQYLSRUSA-N 437.592 1.818 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1769453935 QQDVJWVWWYLAQG-KRWDZBQOSA-N 433.534 1.351 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(F)(F)F)C2)o1 1770740526 RRDRNJFLEOEAAQ-RISCZKNCSA-N 445.423 1.461 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)cn1 1771122781 GYZFAYIJZXFRRN-NRFANRHFSA-N 448.531 1.813 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(c2ncccc2C#N)CC1 1851869311 RTAVLUIUYUCCLS-AWEZNQCLSA-N 433.921 1.622 30 10 IDEE N#Cc1cc2cc(I)cnc2nc1NC(=O)[C@@H]1CCn2cnnc2C1 1852583736 IEAVEIKESBLMNU-SECBINFHSA-N 445.224 1.899 30 10 IDEE CN1C(=O)N(C)[C@@]2(CCN(C(=O)c3ccc(-n4ncc(C#N)c4C(F)(F)F)cc3)C2)C1=O 1853087857 ZPFYXQSZKDOYOI-LJQANCHMSA-N 446.389 1.871 30 10 IDEE C=CCN1C[C@H](C(=O)N[C@@H](Cc2ncc(C(F)(F)F)cc2Cl)C(=O)OC)CC1=O 1853100750 DGNSIRNYEZANAS-YGRLFVJLSA-N 433.814 1.989 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1Cl 1854141384 KOPSLQZKBZIPOM-CYBMUJFWSA-N 432.889 1.810 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C1CC1 1854400498 AVKIERINZOATMW-GOSISDBHSA-N 431.514 1.310 30 10 IDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)c1 1854487659 LHLALWBPTAVPAO-KRWDZBQOSA-N 433.530 1.989 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 1855698234 MWZNKVPIOJGULY-MJGOQNOKSA-N 432.546 1.450 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC[C@H]2CCCO2)CC1 1855846847 YDGRVENNSFSFTE-QGZVFWFLSA-N 431.514 1.986 30 10 IDEE Cc1cccc(O[C@H](C)C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857065902 BZNGQGMSUNQIDI-AEFFLSMTSA-N 433.530 1.703 30 10 IDEE N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)sc2c1CCC2 1858636117 OYSSZQZDTDTTIM-UHFFFAOYSA-N 445.570 1.636 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862562047 WVOGRELJXYSUPG-LJQANCHMSA-N 425.441 1.697 30 10 IDEE CCC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868795678 MVBHKALCVOIGOT-ROUUACIJSA-N 433.578 1.643 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCC)cn1CCCN1CCCC1=O 1870679528 RMCCAHZBFHJDGJ-UHFFFAOYSA-N 444.576 1.940 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2056830342 CKPZYEOMCQTPHP-UHFFFAOYSA-N 435.262 1.072 30 10 IDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1 2211148933 NHULYLUDADJNRX-KLHDSHLOSA-N 425.526 1.752 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247856835 CAYBVOQOWHZGCB-KBPBESRZSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2247914357 JUFNKBBRORKWRR-IHRRRGAJSA-N 426.319 1.070 30 10 IDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)B1OC(C)(C)C(C)(C)O1 2247986576 XFLDMMVORYHDJO-OAHLLOKOSA-N 441.359 1.949 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248405904 UOYNTLSFYZRPBT-UHFFFAOYSA-N 439.343 1.753 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628177 DXFXQMMLGXCTTI-WDEREUQCSA-N 430.236 1.381 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267182208 CRFLCGPQXVAAFU-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 2296613073 WZOZDLNFHXZSTM-LJQANCHMSA-N 425.489 1.566 30 10 IDEE COc1cc(Br)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)c1OC 2323022828 NPIXLXYDHQLWDA-UHFFFAOYSA-N 443.279 1.606 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1=O 410141329 MCLIIJXYBFCCFQ-OAHLLOKOSA-N 434.290 1.681 30 10 IDEE C[C@@]12CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C[C@H]1C2(F)F 428741518 DYGRAXQXRMWRKM-IEBWSBKVSA-N 438.500 1.368 30 10 IDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCC[C@@]3(C1)NC(=O)NC3=O)CCCC2 434784754 DMXUXELYDVDIOO-DEOSSOPVSA-N 446.511 1.840 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CCN2CCOCC2)c1=O 440371451 BYHFKERQBFJIJN-UHFFFAOYSA-N 429.542 1.262 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 461342609 JANWANWRTAVHPC-INIZCTEOSA-N 430.501 1.965 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 469030734 OHULDEFSPGTGFM-IEBWSBKVSA-N 448.504 1.917 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)CC1 470738821 WHDOXTFTZOPSIF-IBGZPJMESA-N 437.525 1.815 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C(C)(C)C)cn1 479579873 VENGANQBGUBIMF-RXVVDRJESA-N 435.532 1.724 30 10 IDEE Cn1cc(-c2nc([C@@H]3COCCN3CCS(=O)(=O)c3cccc(C#N)c3)no2)cn1 506312868 BGMMSRSTDJPPQN-KRWDZBQOSA-N 428.474 1.189 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 511360820 PHIBRSAXPFVJGD-ZDUSSCGKSA-N 425.454 1.669 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 522674709 BCZDKYOMZOCTGK-SFHVURJKSA-N 436.533 1.896 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)n1 531684485 QSHBTGBHLKKBRO-UHFFFAOYSA-N 436.493 1.612 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccc(F)cc1F 539596637 CKUFVEYQWSGUAY-UHFFFAOYSA-N 442.447 1.138 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nc(C)cc(C)n2)CC1 542288446 IDEDBBWJZFVECW-UHFFFAOYSA-N 438.488 1.278 30 10 IDEE Cc1cc(Cn2nnc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)c2C)on1 549963026 AMRMVSAJPLNFCH-KRWDZBQOSA-N 437.485 1.957 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 555263085 FPUIURKNMLBTLH-IAGOWNOFSA-N 448.549 1.240 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 555290792 DWPKANQBNZYRAU-GOSISDBHSA-N 429.525 1.322 30 10 IDEE COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)ccc1C#N 566534008 KSVWHUFQZXWCCO-UHFFFAOYSA-N 431.518 1.326 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@H]2CCCCO2)cc1 570989872 RNKDPITZGCMZBW-TZIWHRDSSA-N 438.532 1.819 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(c4cccnn4)CC3)nc12 725781004 KVVVIWZFEFHGJQ-UHFFFAOYSA-N 434.529 1.936 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)/C=C\c2cccc(Br)c2)CC1 727445243 DKLCZCCCQZJVPI-SDQBBNPISA-N 428.352 1.669 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 728345441 IUNUQNPJRHIWMF-NHCUHLMSSA-N 428.533 1.543 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@@H]1CCCO1 732561115 HQUPVSYLHVHRRE-KRWDZBQOSA-N 428.558 1.814 30 10 IDEE COc1cccc(/C=C(/C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)n2nnnc2C)c1 734291146 HMGKCYKPURXJGK-ZDLGFXPLSA-N 438.469 1.673 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@@H](C)c3cccs3)c2=O)cn1 735069405 UOHOXCCXZYABRY-ZDUSSCGKSA-N 427.555 1.436 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)C[C@@H](C)O1 735308875 WVNGTPCPKAVHHU-HZPDHXFCSA-N 442.969 1.714 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 742402330 MALJEMCCFLAHHD-HNNXBMFYSA-N 438.506 1.292 30 10 IDEE CNC(=O)C1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 745267895 BRKXCRZHFQTEKL-HKOYGPOVSA-N 435.550 1.926 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1C#N 747496716 QFMRSZBYHDQGIS-UHFFFAOYSA-N 449.511 1.519 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 748395724 PGNRADOQFDXIHK-HSZRJFAPSA-N 434.452 1.998 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)[C@@H](C#N)C1 754378861 IFEQXWAWDPKGOJ-FQEVSTJZSA-N 427.549 1.776 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1 755206329 ZISPTSXIIJOPFD-PTGBLXJZSA-N 431.518 1.969 30 10 IDEE COC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 757968165 SZVTWDANZMDQIG-MRXNPFEDSA-N 446.323 1.128 30 10 IDEE CN1CCO[C@H]([C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccc(Cl)cc2)C1 766035832 DMZSFJHYZKCKIT-KCWNHAIFSA-N 432.908 1.744 30 10 IDEE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 769002329 UNBOAZYFWBOKHZ-OAHLLOKOSA-N 432.912 1.362 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)cn1 772275744 KTHCSDUBRSTWIH-UHFFFAOYSA-N 431.521 1.381 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)c1cc[nH]n1 772518977 BBSQBRPATJRSSW-DNVCBOLYSA-N 447.879 1.435 30 10 IDEE CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1C 804990418 QNJDZWBQBBPZSS-UHFFFAOYSA-N 445.497 1.875 30 10 IDEE CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CCN(O)C1=O 816692607 RLCOMYAAQXOMCI-STQMWFEESA-N 430.324 1.407 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCC4(CCOCC4)O3)C2=O)cc1 1134382040 MEFCEEWGURQEHU-MSOLQXFVSA-N 426.473 1.608 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@@H](CC#N)c3ccccc3)ncnc1-2 1144566865 NSWCFEYKPWQYTC-ZDUSSCGKSA-N 428.294 1.725 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1151861108 LTPFKVMPFBKAKY-MSOLQXFVSA-N 435.569 1.729 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(OCCCC)c(OC)c2)CC1 1152967899 VABZPJJLNWTGAP-UHFFFAOYSA-N 443.953 1.753 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cn1cnc2ccc(Br)cc2c1=O 1278478240 QEUPZEJWIOTHBY-UHFFFAOYSA-N 434.290 1.963 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2(O)CCN(C)C2)c1 1286309975 QKMQYNILAGXLIH-XMMPIXPASA-N 445.527 1.463 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286358485 HOMBZIBILUOPIR-FQEVSTJZSA-N 445.527 1.610 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1286376028 CZMFTGYVDPCWOJ-INIZCTEOSA-N 435.525 1.197 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1286392401 LURNYWTZKAXPLS-QGZVFWFLSA-N 431.543 1.902 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1286394167 HETJYOXDUOAODA-NQIIRXRSSA-N 446.577 1.336 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1286394417 VTSPXPSVJVWJTH-CVEARBPZSA-N 426.633 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286422670 NSKYVMXODYXHSE-VJBMBRPKSA-N 428.533 1.731 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1)C1CC1 1286736654 HNDWRBZDZFJVAE-SFHVURJKSA-N 435.525 1.953 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1286793228 VQBXGXSTFBCESV-OAHLLOKOSA-N 429.477 1.167 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1286968997 NUECVHBTVCCKCI-JKIFEVAISA-N 439.476 1.375 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1288210441 ABWHXBGPABAIND-NRFANRHFSA-N 430.509 1.792 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1293804064 ABYZFKXOEIKYPA-NRFANRHFSA-N 446.577 1.840 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300484120 RGOXOYPUDTVODV-XLIONFOSSA-N 447.517 1.641 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 1300485613 XOCZTPJCCANHJP-MSOLQXFVSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1300537234 BOOPSYAQENUGDD-SFHVURJKSA-N 440.525 1.267 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1300727134 UHPWLDJPFRFOMO-UYAOXDASSA-N 428.581 1.480 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300761331 BCDQOEDXUVWKJN-MSOLQXFVSA-N 443.529 1.108 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1300787617 MBJPNXPNTLHFIE-ZTCOLXNVSA-N 444.624 1.948 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301577507 KIBKGDWIVMSCIR-UZLBHIALSA-N 435.550 1.269 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CC1=O 1301889832 DVQVYJMTLGLHCL-KRWDZBQOSA-N 426.546 1.865 30 10 IDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1306178187 ATZZOVUHWZPFQL-UHFFFAOYSA-N 433.520 1.582 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2nn(C)cc2I)CC1 1312689657 XLQRBBJLMWCYIH-UHFFFAOYSA-N 431.234 1.013 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1313551161 GYUIMHSALIUIFD-UHFFFAOYSA-N 432.532 1.945 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@@H]1C 1313873941 FIMFNZOXJRHCKX-DLBZAZTESA-N 435.536 1.824 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1314933499 CEILTZFKDADRNF-UHFFFAOYSA-N 425.493 1.477 30 10 IDEE COc1cccc(O[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1315584388 IDLXPMLHEHHFOL-QFBILLFUSA-N 440.504 1.719 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358925132 UXOYSMASEBJEDU-UHFFFAOYSA-N 433.516 1.804 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358956567 HSXKYWIQNYDLJJ-FUHWJXTLSA-N 442.463 1.663 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1358962939 ZISNXMMOSSZMKV-SFHVURJKSA-N 431.562 1.828 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@H]1OC 1359023382 IWEZDSQYJMFNLP-CRAIPNDOSA-N 431.493 1.143 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1359028353 PGTBEPWFUIFKCE-HXUWFJFHSA-N 441.555 1.614 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)COCCO2)CC1 1359032916 IPCVMSIZDIHBSV-HSZRJFAPSA-N 441.532 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCN2CC)CC1 1359044743 NLXUDZQONLTMOD-VQTJNVASSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C(C)C)C(C)C)CC1 1359045284 BRZJLAZJXIKUCM-HXUWFJFHSA-N 430.597 1.867 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359293682 WZDURBUVEBRJEZ-WOJBJXKFSA-N 440.548 1.464 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1359304904 NCLRPMXKTJYSCG-AWEZNQCLSA-N 433.896 1.812 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H]3C[C@]3(C)NC(=O)NC3=O)n[nH]2)c1C 1449339912 GFMJRYUABMWRBX-SZNDQCEHSA-N 425.493 1.669 30 10 IDEE N#C[C@@H](CO)NC(=O)COc1c(I)cc(Cl)c2cccnc12 1449520234 MRIAKXJCEPRNHM-QMMMGPOBSA-N 431.617 1.872 30 10 IDEE N#Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 1462982572 CQDRVDGFYSYSQD-UHFFFAOYSA-N 440.525 1.727 30 10 IDEE C=CCOC[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1467514982 PBXFFWWOUHRAQJ-HOTGVXAUSA-N 437.518 1.000 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 1469543189 AMWCCEFWXDGBFU-SFHVURJKSA-N 444.513 1.523 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 1471083083 NGTXDKBINLAABU-XMMPIXPASA-N 432.528 1.989 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1472411100 JOXNIMRGHIBQDS-CVEARBPZSA-N 425.526 1.733 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCOCC(F)F 1503437622 BAHQVHFZPPWYJY-UHFFFAOYSA-N 448.474 1.784 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1504594892 BCFMWVBBEGPKKL-SFHVURJKSA-N 441.511 1.202 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1507513605 NIHMFXBYCIFMSS-LBPRGKRZSA-N 438.866 1.701 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507564790 WSYVSVDVOFLOSS-CEXWTWQISA-N 437.610 1.529 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1507678626 AVJVVVDYMNQQDE-IRXDYDNUSA-N 434.566 1.778 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1ccc(F)cc1 1507703159 QXOZWJIFODOXIB-UHFFFAOYSA-N 428.468 1.378 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507729201 ZFFVYEAHLSZHKC-IBGZPJMESA-N 434.610 1.048 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC)CC1 1507902906 PMHRHHVVJIASJD-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507954432 NOZCXTUVFMSGGW-SFHVURJKSA-N 441.561 1.740 30 10 IDEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(C)(=O)=O)C1CC1 1507993885 JWEHJAFHYJQCRH-UHFFFAOYSA-N 443.533 1.688 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1508076708 VJUQZPASUVIHGS-HOTGVXAUSA-N 430.557 1.922 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C)CC1 1508087088 NKKCBFYNIFAAGJ-UHFFFAOYSA-N 433.520 1.376 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1508135890 BZCCKCKSETWJHG-UHFFFAOYSA-N 435.525 1.744 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1508389413 KMTBNFCPLHPKLU-UHFFFAOYSA-N 449.494 1.599 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1508390983 YSMHPMJRMJNFSE-UHFFFAOYSA-N 436.520 1.337 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCC[C@@H]1C 1510188319 CDHRBWNROLLJHZ-BXWFABGCSA-N 441.577 1.595 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1520583844 NVXQNNMKKMAEIU-RZQQEMMASA-N 443.566 1.816 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@H]2CO)CCO1 1521137317 NTGZLGZLXBTGBI-VQTJNVASSA-N 425.537 1.230 30 10 IDEE C#CCN(C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(C)CC1 1536123181 LJCAORGJRUGBPF-UHFFFAOYSA-N 433.574 1.440 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1538977572 WWIGQJOAATWYNK-OPAMFIHVSA-N 427.505 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCc2cnn(C)c2)CC1 1539489863 PSUJWCBYOXZVOZ-LJQANCHMSA-N 425.537 1.462 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1539612815 QLSZNUJGQYWOBF-IEBWSBKVSA-N 430.553 1.554 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540006177 ROCKRTBBSMIIJN-KSZLIROESA-N 438.598 1.250 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)cc1[N+](=O)[O-] 1540297155 JUTVDWMQWMWILW-UHFFFAOYSA-N 448.432 1.761 30 10 IDEE CC(C)(C)NS(=O)(=O)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1540762113 IBXDDUUYGDMLST-CHWWFWEZSA-N 442.582 1.607 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540867427 WBJFCRXLVUVYPL-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1540875416 LGJWSNXLFZBTAM-UHFFFAOYSA-N 444.511 1.746 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCOCC2)C1 1540895563 VILBKALLWRLQMT-OALUTQOASA-N 432.569 1.150 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCOC(C)(C)[C@H]1C 1540897300 GJFYNMUAIQTKMW-OAHLLOKOSA-N 441.598 1.801 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540902154 BSWMUUVQZZMGQR-IBGZPJMESA-N 448.593 1.865 30 10 IDEE CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1541037377 YVMPXXBBYOGEII-CQSZACIVSA-N 426.926 1.352 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1)c1cc[nH]n1 1543603418 SHTRVDDYJQIWAC-INIZCTEOSA-N 443.504 1.231 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1544567204 CQBJUPZILUMEIE-ORIGZDJFSA-N 429.525 1.060 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1544937567 XWGDQKWZCSJXOJ-UHFFFAOYSA-N 437.500 1.944 30 10 IDEE CCCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547255929 DBZIRZITVCJHIM-UHFFFAOYSA-N 441.584 1.633 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCOCC(F)F)cc1 1555990207 AFXDUKVBDWTWGV-HNNXBMFYSA-N 434.447 1.712 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(N3CCCNC3=O)cc2)cc1S(=O)(=O)NCC#N 1557671969 URFYSDHDIFESMW-UHFFFAOYSA-N 441.513 1.647 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)c1 1561145574 IHXRKQPGBCDPAG-UHFFFAOYSA-N 435.546 1.837 30 10 IDEE Cc1nn(C)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)c1C#N 1585832860 PUEVQKDKXJNGGT-SFHVURJKSA-N 445.277 1.768 30 10 IDEE C#C[C@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1585918355 DWQNWWRFSKJOLN-IBGZPJMESA-N 428.510 1.749 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCN(C)C1 1587945696 OJKHDJOBKIJMSJ-IBGZPJMESA-N 434.338 1.852 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCc1ccc(S(N)(=O)=O)cc1 1588155120 ORPWEEIGDUGOPZ-UHFFFAOYSA-N 439.566 1.893 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)NC(C)(C)C)CC1 1588732571 COEARKOOEKVAPQ-UHFFFAOYSA-N 431.585 1.257 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(CCO)CCOCC(F)(F)F 1593625358 RYVIYNRMWYXMDQ-UHFFFAOYSA-N 431.415 1.960 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1593635886 BNYKUWZGKBBIOI-AWEZNQCLSA-N 435.510 1.703 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ncn(C)n2)CC1 1594036604 VSMLWNHOEGFGGB-UHFFFAOYSA-N 442.549 1.529 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1594680804 VPEZCDMMEDLBIX-OAHLLOKOSA-N 427.571 1.976 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1595171503 VRWAIAZBPQSLOF-OALUTQOASA-N 437.610 1.715 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1595239004 CXCMXLCDVUTRSU-MOPGFXCFSA-N 443.573 1.899 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1595466528 KJLALAUZPHGMPB-CQSZACIVSA-N 429.912 1.760 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OC)C1 1595530100 SQJWNBIVBZTVFG-HNNXBMFYSA-N 447.565 1.156 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1 1595537277 OXBYDGJSVRTHOE-GFCCVEGCSA-N 437.298 1.523 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1595556707 ZNVUZQOIWRCDOD-UHFFFAOYSA-N 436.520 1.114 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1595570204 ZZUODSLEDZAQNL-UHFFFAOYSA-N 440.548 1.433 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)[C@@H]1CC 1595640080 SJULAXJGSSEMSG-SFHVURJKSA-N 438.532 1.842 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccccn4)n3CCOCCCO)CC2)nc1 1620351271 UPUHZXDXLFDFOR-UHFFFAOYSA-N 448.531 1.256 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1)C1CCOCC1 1624610371 UFHUNKNWTRDBOO-DNVCBOLYSA-N 431.489 1.544 30 10 IDEE C=CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCS(=O)(=O)C1 1625390253 UPQFZLZNWUWHEC-NHUHVJRWSA-N 437.562 1.975 30 10 IDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1634496128 HMZNCLUMIXIILT-UHFFFAOYSA-N 426.491 1.006 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1635454018 ZXYJGZRLHQHKQF-IAGOWNOFSA-N 432.525 1.728 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)CS(C)(=O)=O 1637710824 GTBLPMOCGAIONP-OAHLLOKOSA-N 443.591 1.471 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1648998631 IFTKPCMZKXWGMW-QFIPXVFZSA-N 441.553 1.799 30 10 IDEE CNC(=O)COc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1OC 1651221291 UWZQXWIJZQCUMD-UHFFFAOYSA-N 441.440 1.338 30 10 IDEE N#Cc1nc(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)ccc1Br 1673540654 HZFNJDBWXMSCOS-UHFFFAOYSA-N 434.254 1.415 30 10 IDEE CC#CC[C@@H](CO)NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1677418662 MABKTJJXJHNFJT-IBGZPJMESA-N 433.505 1.878 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689984825 VZPDOISGSMCRHB-XMSQKQJNSA-N 446.573 1.987 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689990847 SPMGZXWNCSWUQR-HKUYNNGSSA-N 446.577 1.545 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CCCC2)CC1 1690113532 MHOHDOARLBDXED-ZJSXRUAMSA-N 444.624 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCC2CCOCC2)CC1 1690137276 SADLIFWAIFVRSJ-UHFFFAOYSA-N 444.580 1.589 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)NC)c1 1690210968 OUZLZOKIGHFHIC-XMMPIXPASA-N 434.544 1.995 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690236335 LKQXYYXXZSDMEO-NEWSRXKRSA-N 443.552 1.709 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690310116 UNCOUHNUPGWJAD-KRWDZBQOSA-N 434.566 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1690720393 HNSFYEGNOPTNSP-HXUWFJFHSA-N 433.534 1.256 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2cccnn2)CC1 1690722285 DECSPONYBFBOFG-UHFFFAOYSA-N 442.549 1.001 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)[C@@H](C)C1 1690838308 GEAJUNUQDVMHGL-INIZCTEOSA-N 428.562 1.989 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1692851451 CDAPWANBFXLDTC-XCLFUZPHSA-N 426.456 1.282 30 10 IDEE Cc1nccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1693382139 IEVVCYYZPZBBDR-UHFFFAOYSA-N 448.531 1.883 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1696052112 FEUZDSOABGHAGF-DZFGPLHGSA-N 434.516 1.631 30 10 IDEE COc1cc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1697276284 RWYQSPQFJLFFGR-UTKZUKDTSA-N 431.468 2.000 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1697926849 UDKCUQSNAJRAKH-FGZHOGPDSA-N 427.505 1.600 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCOC4)C3)n2CC(=O)NCC(F)F)cc1 1698488589 GDTYJGUOOIHDEA-NRFANRHFSA-N 446.458 1.727 30 10 IDEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705518964 ZCUQSCHNTJUBTI-HNNXBMFYSA-N 442.470 1.098 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnc1C 1705545259 URWLTUBGGVNNMB-UHFFFAOYSA-N 441.561 1.860 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1N1CCOCC1 1705626769 IVSUKHIEPDDTBF-UHFFFAOYSA-N 433.516 1.706 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2c(C)noc2C)CC1 1705633726 XGXXVFCXMHHRDD-GOEBONIOSA-N 449.581 1.052 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(O)cc2)CC1 1705635416 YIKUEHOLSBHIDG-HSZRJFAPSA-N 425.533 1.828 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705659027 JMRFLRJJBQJWRS-DLBZAZTESA-N 432.594 1.584 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705708074 XBULRKCOFXMAOI-JLMWRMLUSA-N 433.553 1.578 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705708257 ZZXJGCJCKGAIPY-YGLGAKQISA-N 447.580 1.967 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705736243 OVVANHPSSZQCBR-KRWDZBQOSA-N 440.552 1.117 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)N(CC)CC)CC1 1705769271 NSKKCVHYJYACEH-QZTJIDSGSA-N 440.614 1.498 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1705890829 KUYDJHJPPLMPRS-LSDHHAIUSA-N 431.509 1.669 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1705898338 IRDLLISQYCLBBX-OAHLLOKOSA-N 443.504 1.654 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@@H](C)[C@H]1C 1705927812 GXWAFAMTGJQNGU-CABCVRRESA-N 427.596 1.445 30 10 IDEE Cc1n[nH]cc1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1706999628 BLIRRYQARSWSES-UHFFFAOYSA-N 434.504 1.719 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 1711417884 DTIBLGJIXOUVEM-IBGZPJMESA-N 443.577 1.431 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1722290497 MBJZXPZYNGEPJL-IAGOWNOFSA-N 448.568 1.817 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](COC)C1 1722325646 AZTXDRGMPFSFIB-KRWDZBQOSA-N 446.577 1.812 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)(F)F 1722383956 OBODHKCYOCTJSH-UHFFFAOYSA-N 425.361 1.898 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 1722439182 RQGCROFFXPLPQI-UHFFFAOYSA-N 427.524 1.695 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@H]2OC)CC1 1722440571 KGQORBIZTRCIHE-QZTJIDSGSA-N 442.589 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccnc2OC)CC1 1722447683 LWOVQLNEMVVLQZ-LJQANCHMSA-N 438.532 1.937 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1722458712 QWVKCRMZSMUONS-UHFFFAOYSA-N 444.561 1.677 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@H]1C 1722494625 QVYARMBPHBSSKD-MDZRGWNJSA-N 432.569 1.845 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722581575 DWGUMZKWFZKZJD-WBVHZDCISA-N 440.614 1.843 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1722631457 NOHPQSLLBYNPGN-UHFFFAOYSA-N 426.930 1.033 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1722740885 VACFKLDZOKZGCQ-QGZVFWFLSA-N 438.561 1.742 30 10 IDEE COCCOc1ncccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1730889800 VNDPOGIKRGPERZ-LJQANCHMSA-N 435.488 1.461 30 10 IDEE CSCCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1731126572 KTKNNTHGSMGEEN-KIJUOZEOSA-N 434.566 1.888 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740627852 SWAHJQYIJXFSBZ-QZTJIDSGSA-N 447.561 1.646 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1740645922 NHZLWBMHBPDWEH-IEBWSBKVSA-N 429.546 1.739 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1740660364 OQEPCGWIABDVFI-IFXJQAMLSA-N 439.969 1.909 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740794871 JHMBIYNOFYYTEI-IRXDYDNUSA-N 427.571 1.140 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1740962828 PWOJYCVKVYIJFG-UHFFFAOYSA-N 437.504 1.541 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)OC)CC1 1740992384 GZHVZRHVLLQHAT-UHFFFAOYSA-N 433.534 1.254 30 10 IDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)c1=O 1746358292 AFEPKXOKQDLTJS-UHFFFAOYSA-N 431.500 1.748 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1748191548 BCWDURQAJZUSLJ-UHFFFAOYSA-N 433.520 1.540 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1748715965 UCEHBUMSIVJHPL-FQEVSTJZSA-N 430.597 1.966 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748811591 IULFGAAFZLDADM-HNNXBMFYSA-N 442.549 1.295 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1748892555 RAHJEDWFRAJPGA-OALUTQOASA-N 447.605 1.900 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(C)C)CC1 1749014947 QCIMTDXNXQFXDF-GOSISDBHSA-N 449.621 1.828 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)OC 1749326514 BCMQPDBRVHOSOO-OALUTQOASA-N 439.520 1.518 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1(C)C 1749655273 GREPPFLKURUOEX-UHFFFAOYSA-N 446.577 1.876 30 10 IDEE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1749842541 OKGNYFGVUIQOGD-YWMAMYRUSA-N 429.525 1.159 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCS(C)(=O)=O 1751092231 YFZAQUKFQPRADA-OAHLLOKOSA-N 449.533 1.516 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760185314 VFEAIXJUWCBEBT-GOSISDBHSA-N 445.589 1.996 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1760456182 IOEYLBBEDLQMKC-NSHDSACASA-N 433.460 1.562 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760525386 DCYYWHDEZCNKQM-QGZVFWFLSA-N 428.562 1.824 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCCS2(=O)=O)C1 1760546177 KFQZHHGXXRWMRN-FQEVSTJZSA-N 445.589 1.994 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764772171 ACPDKDVRHRDOAJ-KTPVKRHPSA-N 430.509 1.141 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1767421021 KOGLWCIHAIVMQU-KRWDZBQOSA-N 439.545 1.757 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1767843796 KYVKLWQKPATIRP-SFHVURJKSA-N 429.550 1.040 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1cc(C)cn1 1770045051 WZWJOBSIFJETRP-MJGOQNOKSA-N 428.541 1.384 30 10 IDEE COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1770306603 HZKKMYQDJFLNKD-MOPGFXCFSA-N 441.536 1.457 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC(F)F)C1 1771529375 MXBKQEYRVJGKTG-SFHVURJKSA-N 433.398 1.992 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@H](COc2ccccc2C#N)OC(=O)[C@@H]2CN(C)C=N2)cc1 1851918751 XIYGFHMHPLAQSZ-ICSRJNTNSA-N 441.509 1.974 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 1852830024 BIZAHUWTTHYCED-UGKGYDQZSA-N 441.528 1.972 30 10 IDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)[C@@H](C)C3=O)cc2)CC1 1856197469 RIMUDMSACIIHCB-KRWDZBQOSA-N 432.546 1.694 30 10 IDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1856862701 VYTMIVJMWQFCBC-QGZVFWFLSA-N 439.965 1.435 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1859011355 AASRAJAAFSBNJR-UHFFFAOYSA-N 431.426 1.615 30 10 IDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873594938 IWPOQHFHVANVER-UHFFFAOYSA-N 448.531 1.205 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(OC)c1O 1874336057 CJVICDLOBHAXCD-SCDDIDHTSA-N 447.517 1.864 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987532721 MWOBJNLZHBFJDH-OAGGEKHMSA-N 425.526 1.780 30 10 IDEE C#CCn1ncc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2106094145 VWNNYALRRHFWQV-DGCLKSJQSA-N 427.299 1.279 30 10 IDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)nn1 2124521946 NFJBGOHSYAVDGN-BFJAYTPKSA-N 447.345 1.932 30 10 IDEE C=CCN(CC=C)C(=O)CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195348453 MRXWJYMNIDDLNJ-KRWDZBQOSA-N 438.502 1.372 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)C1 2224131820 LZBLPHHVWOCONC-NRFANRHFSA-N 433.314 1.625 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2247953732 VGBSRECUBRLSPW-UHFFFAOYSA-N 444.334 1.928 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2255527780 RCRXUEDTXOJQAN-ZDUSSCGKSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255527929 UDALGWLHURAOIO-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](F)C1 2255631879 FYWCJEBVRSUQRA-OLZOCXBDSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255697705 CXJBWISXQRPPSF-HOTGVXAUSA-N 433.314 1.091 30 10 IDEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2256059625 GSWUSLDUMDYHHO-ZDUSSCGKSA-N 432.330 1.761 30 10 IDEE Cn1nc(C(=O)NCCc2nccn2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267137979 RCRPBLBZUIQKDB-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCCC23OCCO3)OC1(C)C 2267466866 IJQINKHXOXSDSJ-CQSZACIVSA-N 429.369 1.762 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)nc2)OC1(C)C 2267485664 GSKFDADLYFLJRH-LJQANCHMSA-N 438.337 1.407 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267494427 RNURKQZDSRXSCQ-HNNXBMFYSA-N 449.357 1.860 30 10 IDEE CCOC(=O)C/C(C)=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 59351861 LHHCVWBKTADSCH-IWIPYMOSSA-N 440.504 1.808 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 461147687 CLCIGUFNVOCVKE-LEWJYISDSA-N 449.559 1.739 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cn1 462091301 SEQAJBPVSYWUFC-SJORKVTESA-N 430.490 1.339 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 481792888 FOAWYQAKCMGHAB-ZBFHGGJFSA-N 428.518 1.558 30 10 IDEE COc1ccc(F)cc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 488568957 YENKKKBHMDQSEK-UHFFFAOYSA-N 432.477 1.922 30 10 IDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505018256 HUHCVOMWZZPFCU-UHFFFAOYSA-N 427.505 1.174 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)CC1 512705573 MEFZUOPVDQJYLR-UHFFFAOYSA-N 444.557 1.816 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(F)cc2)c1=O 512761945 LGZXEJSOVCUAGE-UHFFFAOYSA-N 425.489 1.282 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1 533758635 OIYRFBLFUKFPGZ-UHFFFAOYSA-N 428.514 1.575 30 10 IDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCC1 544835251 FRCZHVYJNPVSFM-UHFFFAOYSA-N 435.532 1.695 30 10 IDEE CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2C[C@H]1C 544842169 ADNIVLIEWZBNFM-OAHLLOKOSA-N 425.514 1.762 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544888975 SLIMJCBOQFLHRN-UHFFFAOYSA-N 428.518 1.072 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCCO3)CC2)nc1 555485999 YHZSSCFPFLSOCR-RBUKOAKNSA-N 439.520 1.528 30 10 IDEE COc1cc(CNC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)ccc1C#N 574373696 BLZJOPFECHPQTP-UHFFFAOYSA-N 433.512 1.983 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 576115176 OEOLPXIAIBUAIZ-UHFFFAOYSA-N 428.496 1.768 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CC(N)=O 589158924 GWISEHDQRVUSGU-UHFFFAOYSA-N 436.320 1.574 30 10 IDEE COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603688368 YVBUCCRXNSIVTH-UHFFFAOYSA-N 436.472 1.139 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)C1=O 656413946 JVQXMXQWVYBBJY-FYQPLNBISA-N 436.512 1.332 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2c(Br)cnn2C)c1=O 683733303 AGBIIJXNNGHOJG-UHFFFAOYSA-N 447.358 1.854 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)[C@@H]1CCS(=O)(=O)C1 729331404 MXSLEPPWCZKPMA-FUHWJXTLSA-N 438.571 1.512 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732672414 ILYCBCUUESLSNB-LPHOPBHVSA-N 432.322 1.846 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)cc2C1=O 732944675 QORSDGHMDRYVDQ-UHFFFAOYSA-N 441.456 1.463 30 10 IDEE COc1ccc(CN2C[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)cc1 734292646 DHEJNHKEFNKIPQ-KRWDZBQOSA-N 427.482 1.729 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCCSC)c2=O)cn1 735069656 XSSRXMSITMZBMV-UHFFFAOYSA-N 447.630 1.545 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnc(O)n(C)c2=O)c1 751565835 IRHUSNXWSWJWNV-JWGURIENSA-N 433.490 1.331 30 10 IDEE CCc1c(C(=O)OCc2cccc(C(=O)OC)c2C#N)cnc2c1c(=O)n(C)c(=O)n2C 756227238 SJIZKQVEGLQJNU-UHFFFAOYSA-N 436.424 1.210 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 760772680 KJTXNBKBXOXOEX-FQEVSTJZSA-N 437.500 1.933 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)c2ncn(C)n2)c1 780311063 DHRCOFBVGQDJPR-WBVHZDCISA-N 443.577 1.884 30 10 IDEE O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(CCCn2ccnn2)C1=O)NC1CC1 784125377 OVOFCKCANPVEPI-WXVFVKJXSA-N 427.534 1.275 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)n1 788818821 QWSJEXJDUCZNMG-KRWDZBQOSA-N 440.500 1.562 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)c1 789840893 QFSHBVJFDDNVOR-UHFFFAOYSA-N 428.439 1.730 30 10 IDEE CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 790855723 BTRBNXOKEDLHSU-INIZCTEOSA-N 426.514 1.668 30 10 IDEE CCOc1ccc(OCC)c(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2cnn(C)n2)c1 807941836 XSCQTGWXQWOWDJ-QGZVFWFLSA-N 446.533 1.880 30 10 IDEE C#CCCS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 810784013 OQRKWCKFJJTVRM-AWEZNQCLSA-N 449.348 1.072 30 10 IDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ncc(Br)cn1 814351247 VHCMIKIRSXHKHY-SNVBAGLBSA-N 438.307 1.545 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1124606274 GISVCPQWNBASGK-KRWDZBQOSA-N 439.534 1.516 30 10 IDEE C#CCC1(NC(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)CCC1 1133971446 CIJPPJQSBBOQFU-UHFFFAOYSA-N 449.511 1.117 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3C[C@H]3CCCO3)CC2)cc1 1134533588 JSPBZZKNVVLPDR-WOJBJXKFSA-N 447.557 1.755 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)nc1 1143527878 ABZKPBJXNFTVQS-ICSRJNTNSA-N 434.418 1.849 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)ccc1F 1156577294 GIHBHZLSDINMMQ-UHFFFAOYSA-N 449.508 1.493 30 10 IDEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1158038403 NSZDXHATBOAGDI-GOSISDBHSA-N 432.429 1.872 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1161796745 CWDJBOMFRHIRAO-UHFFFAOYSA-N 443.481 1.669 30 10 IDEE C=C(C)C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C(=O)OC 1187315680 LVVSYMVCCZPHTR-INIZCTEOSA-N 426.495 1.451 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nccn3CCCC)c2)CC1 1201722315 GMQAJEXDNSKPHB-UHFFFAOYSA-N 444.561 1.967 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 1254324265 KDSLWPVETIOECF-GOSISDBHSA-N 425.537 1.647 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1286294927 GUNFYYGTLGQDGI-GJZGRUSLSA-N 441.554 1.089 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1286302009 BGRQGMFEZLVVGI-YCRPNKLZSA-N 427.530 1.358 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC(C)C 1286364621 HDYLICFAGFAHAO-UHFFFAOYSA-N 429.344 1.433 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286389505 LCZIOGUPGCBHBS-LJQANCHMSA-N 442.520 1.687 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286393957 MOWLLGFJINUOSO-PKOBYXMFSA-N 445.589 1.454 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1286459393 OPGNJCAOGQLDDB-UHFFFAOYSA-N 433.516 1.706 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286711799 SSBVWBNEALWKIH-UHFFFAOYSA-N 428.541 1.912 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCOC1 1286755426 XVAPJTJGRIWQKG-HXUWFJFHSA-N 432.550 1.568 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCS(C)(=O)=O)C1 1286808940 OEVBBCCTTMIAJH-LJQANCHMSA-N 442.545 1.957 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1OCC[C@H]1C 1288117287 QUSCMKCODINIKM-CXAGYDPISA-N 425.493 1.376 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)N2CCOCC2)CCOC1 1288282873 WDSNEPIADKGYEF-UTKZUKDTSA-N 434.541 1.306 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1288521302 ZLEAZNSFYLVHIS-LTIDMASMSA-N 449.581 1.172 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1291840860 ONCPMYQQTQLBKT-IAGOWNOFSA-N 441.536 1.332 30 10 IDEE CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1293612308 LZWBQVJBJATQEG-UAFUQJIBSA-N 437.504 1.406 30 10 IDEE CCN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1295243878 HTFZYYFHEXABEP-MRCUWXFGSA-N 441.536 1.696 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1cc[nH]n1 1298012306 VKCSKIJPHBLPNY-KGLIPLIRSA-N 427.461 1.176 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)c1 1299291925 DVINPLAARCYDDS-DYESRHJHSA-N 444.561 1.868 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 1300408979 DQSSKGJUXYGQBT-WMZOPIPTSA-N 433.534 1.611 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@@H](C)C1 1300446075 DLVMERBMZGWOKX-SFHVURJKSA-N 435.536 1.491 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300489008 YVLAKNVGHHIMLR-KRWDZBQOSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300489335 MHLXRIGTVZZMAY-NVXWUHKLSA-N 446.529 1.378 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1300684914 CKOWMSSDSPRIOX-VQIMIIECSA-N 425.480 1.110 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2c(C)noc2C)CC1 1300700443 PLHRPAODRVBWBO-QAPCUYQASA-N 446.577 1.344 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 1300709897 KFUZTVWGCBWVIM-QFIPXVFZSA-N 429.496 1.557 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CCC)C2)CC1 1300719727 NXDQFMPXOFLNIL-GOSISDBHSA-N 436.564 1.433 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1301310158 XUVAYXCYEYFLMD-UHFFFAOYSA-N 431.518 1.291 30 10 IDEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1301525055 FVRQEMIDXBFDQH-NRFANRHFSA-N 448.527 1.828 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCS1 1305153901 GKLCQTJYCLDNHF-OAHLLOKOSA-N 435.575 1.820 30 10 IDEE COc1ccc(C(=O)NCCN2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 1307538573 BEMPNPMDEMEQJE-FQEVSTJZSA-N 430.549 1.114 30 10 IDEE N#CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1307923384 HPGNKXMTQNFLQE-HNNXBMFYSA-N 440.953 1.925 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCCc3cccc4c3OC(F)(F)O4)CC2)c1C#N 1313034811 OXYALBBPSUBEBH-UHFFFAOYSA-N 432.431 1.996 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCOCC1CC1 1314701842 LRFPSDPGHGPFDN-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCC(=O)N1CCOCC1 1315615757 IDLKDFVJIUJQGC-KRWDZBQOSA-N 426.521 1.865 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 1323961658 LBKWRVRXSWHDQO-UHFFFAOYSA-N 426.458 1.455 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1358892328 XJYXKNMFUIVYCI-ULQDDVLXSA-N 435.525 1.460 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358965229 QMHUEJLCJQIHLI-MRXNPFEDSA-N 443.558 1.099 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1358985286 UWWGPIKUTRRBGR-XMSQKQJNSA-N 443.573 1.649 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(=O)OC)CC1 1358999472 SBXLILVHTMJKLL-PMACEKPBSA-N 443.548 1.943 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359296435 JDSXZDFRSMUBAM-IBGZPJMESA-N 432.488 1.430 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1359330478 SSHXFKIQBHUJSX-UHFFFAOYSA-N 446.577 1.242 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359493234 KSPXKMVMULEYFZ-WMZOPIPTSA-N 429.569 1.511 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNS(C)(=O)=O 1359854428 TVQDJIXFTTVLKO-UHFFFAOYSA-N 446.581 1.009 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1360713043 FBSRPOQELJLZOM-MOIQIXESSA-N 448.524 1.875 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1438910053 XDKLPPYNKHCXPE-INIZCTEOSA-N 440.518 1.344 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 1455116294 XGQBJIBLYUKJCO-UHFFFAOYSA-N 438.509 1.363 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(C(=O)OC)ccc2Br)c1=O 1458863636 QNNDVYDZFPGLTC-UHFFFAOYSA-N 436.262 1.141 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2C(=O)c3ccccc3C2=O)s1 1467838188 BGZSDGUBCLTORS-UHFFFAOYSA-N 447.538 1.557 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@@]3(CO)C2)n(C2CCCCC2)c1C 1473832653 MRTVGMFHPZBJEK-QHCPKHFHSA-N 429.565 1.799 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503560859 DKHLYEZXRWWSNT-OSCRUYLVSA-N 430.509 1.171 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1503767718 JTTOYEGSJQFVNY-QGZVFWFLSA-N 430.484 1.676 30 10 IDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507558226 DLKOLYBKNSTFNI-UHFFFAOYSA-N 432.532 1.908 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507628461 HQILRJUOUPRMJD-HXUWFJFHSA-N 438.557 1.539 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507639495 KOYQBYZBFCZZSF-CQSZACIVSA-N 430.456 1.329 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507690853 YBWFMORMHRDQBM-XMTFNYHQSA-N 439.582 1.274 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN(C(C)=O)C1 1507714866 YUUCEZGPPIXTIU-AABGKKOBSA-N 433.553 1.347 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](CC)N2CCCC2)CC1 1507741505 VNDMLQQNHNEKLZ-WOJBJXKFSA-N 428.581 1.970 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1cnccn1 1507804615 HEHLZHATMCSEME-DYESRHJHSA-N 425.537 1.851 30 10 IDEE C=C(C)COCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507847463 GXJQXNYLCANLAJ-PXNSSMCTSA-N 442.582 1.535 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1516179231 AVNRBBWRCLYCKI-SJORKVTESA-N 434.438 1.866 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@H]2CCCCS2(=O)=O)n1 1539424116 LEFXVYGXYSZKHO-IBGZPJMESA-N 446.577 1.606 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1539954035 YIVQMALDADHYDR-BZSNNMDCSA-N 440.614 1.402 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1C1OCCO1 1541907747 DIWIJRCHVJBFSM-HUUCEWRRSA-N 448.549 1.720 30 10 IDEE C#CCCOc1ccc(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 1542963947 QIKFISGPAYVARI-HXUWFJFHSA-N 434.558 1.440 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1544310034 OJWSRRZUJQFRJY-QTQXBYQESA-N 444.536 1.691 30 10 IDEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1546099297 AVOYWLFTYJCVLD-HXUWFJFHSA-N 448.549 1.283 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1546856027 FKCSDNPLGLMFKF-RDJZCZTQSA-N 440.504 1.955 30 10 IDEE Cn1cnc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC2CC2)c1 1548369575 UULOIWPBGVLBRM-GOSISDBHSA-N 446.433 1.920 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1555418837 DUWQSYKQKXDDDQ-PERKRYKHSA-N 429.521 1.844 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(O)CCN(C(C)C)CC1 1555557831 DPWJUGBTEGJIMQ-IBGZPJMESA-N 434.585 1.774 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555985275 LVOGJWQXEWAZIP-SJYGIMBLSA-N 429.456 1.488 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(=O)n1CCO 1559456947 TYKIYYWUEYQDJA-UHFFFAOYSA-N 431.663 1.781 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C3CC3)C3CN(C(=O)OC(C)(C)C)C3)CC2)o1 1559954879 HMSUNVJGUSAKMB-UHFFFAOYSA-N 444.536 1.587 30 10 IDEE C#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CCCC1 1583333236 VTGZASFSPBFZRW-UHFFFAOYSA-N 445.585 1.979 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1conc1COC 1587579068 CRXKYEPBPJFCLG-CQSZACIVSA-N 429.502 1.989 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1588024444 CYUVYULOKDINSE-LJQANCHMSA-N 443.573 1.708 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588030026 ODZMDSKCDGGRQZ-MRXNPFEDSA-N 426.608 1.940 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588039700 CIEPGBMRMOHKII-CQSZACIVSA-N 428.461 1.755 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@H](C)C1 1588314740 PIJXEGFVHNXGSN-QGZVFWFLSA-N 428.537 1.966 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)nc2)CC1 1588733664 XWRCRDANUQQTLG-UHFFFAOYSA-N 445.531 1.190 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1593696270 MOLGBMCQAPIERZ-YJBOKZPZSA-N 429.612 1.814 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1595477255 SMPKKFNLYWDWTH-HOTGVXAUSA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)C)C1 1595577296 OCHGRZSNJWGFQA-OAHLLOKOSA-N 432.550 1.433 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1595884098 HOXNFPRIVQYDGB-LSDHHAIUSA-N 427.596 1.062 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)c1 1596681203 QMNBDTMPHRUFDM-HNNXBMFYSA-N 429.498 1.038 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1617241059 JKNJVQWZRJEDGT-KPDCDPCYSA-N 441.532 1.988 30 10 IDEE C=CCOc1cccnc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1625807437 AALIXRBQXQYEHL-OAHLLOKOSA-N 439.534 1.800 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)cc1OC 1626148548 LTYQXLGLJUFPFN-KMDWOBIYSA-N 432.473 1.180 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1 1628667529 QXHKQAZWTDOAPD-LJQANCHMSA-N 425.510 1.633 30 10 IDEE CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1632787592 HZCFGDGRENDAAL-GOSISDBHSA-N 437.585 1.976 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(I)ccc1N 1636271000 QIAQKVAOBAVGPV-LLVKDONJSA-N 448.268 1.886 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccnc(N3CCSCC3)c2)n1 1637367851 VEWOGCDILGBCCX-UHFFFAOYSA-N 428.562 1.823 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(n2nncc2I)CC1 1641462629 BHCODPHYLPIWEX-ZDUSSCGKSA-N 431.278 1.517 30 10 IDEE CN(C(=O)CN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1)C1CCCCC1 1653317336 VVCZAGHSRHEIDQ-UHFFFAOYSA-N 436.556 1.695 30 10 IDEE C[C@@]1(C2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)COC(=O)N1 1655613647 JPJRSTXOAPGSON-UTKZUKDTSA-N 431.562 1.667 30 10 IDEE C#CCC1(O)CCN(C(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)CC1 1678463354 KUNATHBYIQJZNJ-UHFFFAOYSA-N 448.608 1.824 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1687441541 PZUGGUKUNAMRNA-SFHVURJKSA-N 434.548 1.520 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1689966558 VNFNQSCWLVUJEX-HNNXBMFYSA-N 434.518 1.324 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCCC2)CCOCC1 1689998799 WVWZCGQODFOYNR-UHFFFAOYSA-N 440.592 1.914 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1690022912 YMRCQWIKUBMYJB-IBGZPJMESA-N 428.487 1.693 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1OC 1690025033 BIBRRMMLAQWFKJ-DLBZAZTESA-N 427.530 1.394 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC(F)F)CC1 1690132866 ZELCBHCLZQYRJV-UHFFFAOYSA-N 438.504 1.654 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)NC(C)(C)C)CC1 1690146099 FVSLDVBFSMUQCV-SFHVURJKSA-N 444.580 1.790 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690247468 BGMNJQJHMJNYBZ-HQRMLTQVSA-N 431.562 1.868 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690310029 QYOKCVDOLBYNMD-SFHVURJKSA-N 440.552 1.555 30 10 IDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690364249 MJFLVINJEZHLFO-INIZCTEOSA-N 428.555 1.098 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)CC1 1690411019 CVWUXMAVRPXSAG-MOPGFXCFSA-N 437.610 1.429 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1690484851 FUBUQDHEWUFBJF-GOSISDBHSA-N 441.598 1.971 30 10 IDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690523456 ARKLANPTUMTWOZ-FQEVSTJZSA-N 429.502 1.772 30 10 IDEE C[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1693795466 JSBZPVXACPXDGW-ITZAQCPESA-N 427.509 1.129 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1694795008 RYTPTCGPCFSLTC-IAGOWNOFSA-N 446.458 1.868 30 10 IDEE CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696423098 GJYPNKKMKZMROE-UHFFFAOYSA-N 447.503 1.555 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1696765568 DXYIGDNVXIGDPX-QGZVFWFLSA-N 445.545 1.779 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705562672 HRULKPNDRPVXCV-HXUWFJFHSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705566348 MSXBZVXXFMZXNA-RBUKOAKNSA-N 435.594 1.632 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705664272 LXLNVGCJMMCETM-UHFFFAOYSA-N 444.605 1.606 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1705773489 SDQOCWRXNASMMG-HBFSDRIKSA-N 433.553 1.653 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1CC 1705883894 ZXTSBRRNEHTXCA-UHFFFAOYSA-N 435.492 1.892 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1706069085 VYKHFNBYCWHOTQ-DOTOQJQBSA-N 433.534 1.750 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)OC 1712152406 BVKIHEFEUOSFAM-XWFZLUIHSA-N 427.505 1.862 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCOC2)CC1=O 1712468442 DDBLSDBEUPTDGI-OALUTQOASA-N 438.532 1.784 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1712883847 ATAQGDZQHFOEJL-INIZCTEOSA-N 439.501 1.047 30 10 IDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722372309 UENYEAJRJMRMTB-SFHVURJKSA-N 446.573 1.872 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722387179 IEPXKNHUWUVKJB-HSZRJFAPSA-N 431.500 1.399 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc([C@H](C)OC)n2)CC1 1722440148 DLYIGIKRWZCUQY-INIZCTEOSA-N 443.577 1.368 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(O)c2)CC1 1722446455 WWXLGBHBDVWSJY-UHFFFAOYSA-N 449.515 1.407 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722462992 VABIUFJDPOAKMN-GOSISDBHSA-N 446.621 1.456 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722698840 NLCDZOQSPQRIPL-QGZVFWFLSA-N 445.593 1.874 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](COC)C2)cc1 1722703028 TUPIEUSXSQIANH-FQEVSTJZSA-N 441.532 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncc(CC)s1 1722728155 QVMRJFAADJNQID-UHFFFAOYSA-N 435.579 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722736967 OIZDVUFAFDQUBA-VQIMIIECSA-N 428.555 1.145 30 10 IDEE Cc1occc1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1724112848 ABXPRNGJXAOTOK-OAQYLSRUSA-N 441.513 1.904 30 10 IDEE C[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C(F)(F)F)O1 1726688762 WOZRTFRVCXHGCW-WSODJUFQSA-N 440.426 1.838 30 10 IDEE CCc1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1Cc1ccc(C#N)o1 1727617103 MHCXFEFOMYEPPD-UHFFFAOYSA-N 447.546 1.629 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@H](C)O1 1730594774 UHJOZPBODIDOJG-YLJYHZDGSA-N 428.537 1.635 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2=CCCCC2)C1 1731015356 QVTVANKTZKRZSY-QFBILLFUSA-N 438.529 1.553 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1740644030 YNLJSQBNPHDBCY-UHFFFAOYSA-N 436.541 1.389 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCN(C(C)=O)CC2)CC1 1740698933 QVXQUKUSSIHZEO-UHFFFAOYSA-N 438.580 1.153 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740720849 PJURQVZMNFZWAL-UHFFFAOYSA-N 439.632 1.769 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1740752260 VCIMVOAMFIVHIW-BBWFWOEESA-N 436.582 2.000 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740755993 DUFNROCPYROVAY-IXIUHKBRSA-N 427.505 1.682 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740947026 NZVRTYDJKQUPKZ-GHTZIAJQSA-N 447.561 1.203 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(C(C)=O)CC1 1740953472 HHAJNWUWSQKQTQ-UHFFFAOYSA-N 448.474 1.907 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740965390 IKLYMLOMDOJZOD-FWPOJJEQSA-N 449.552 1.077 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740987997 QPVUDEIFLHJJLN-AWEZNQCLSA-N 448.505 1.121 30 10 IDEE CCCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1745533493 BMMGFSHEJFJCGZ-KRWDZBQOSA-N 427.509 1.767 30 10 IDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)C 1746318977 HFGKEKCJYJFSBH-OAQYLSRUSA-N 439.564 1.888 30 10 IDEE CN(CC1CC(F)C1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1747815905 JSKWZLVQXQJMED-QZQOTICOSA-N 439.495 1.975 30 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C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1749073485 RBBLOPOMEPUBFG-JOCHJYFZSA-N 441.557 1.844 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749220289 DBIMMWHGNBNKGO-LJQANCHMSA-N 426.521 1.760 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCOCC1 1749487377 BPHDKYRWXBZFHN-UHFFFAOYSA-N 440.552 1.323 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1749640491 ZAJRBWRAROLNJH-KRWDZBQOSA-N 436.582 1.417 30 10 IDEE COCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749656152 LJJNMOYGQGBNKE-FUHWJXTLSA-N 436.582 1.173 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1749717931 RGRCWKRHDSCJIR-GOSISDBHSA-N 431.562 1.968 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)C1 1750510750 WYFVQROUHFCMRR-OKILXGFUSA-N 441.492 1.498 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CC1 1750962229 BQJZSUPZXLREAM-UHFFFAOYSA-N 437.548 1.525 30 10 IDEE 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C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2ncnc3[nH][nH]c(Br)c2-3)C1 2294821024 WWXKRUSMDAZTDK-UHFFFAOYSA-N 435.282 1.734 30 10 IDEE CC(=O)NCCNC(C)=C1C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O 2297591172 TUIOGMCZDFUPAG-QFIPXVFZSA-N 428.441 1.294 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(O)c1 2329035234 PIAFHNHCNDCLRO-CYBMUJFWSA-N 433.490 1.561 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2367834679 UEXBHYHQGVFIRY-WOIUINJBSA-N 434.558 1.755 30 10 IDEE CN1C(=O)C[C@H](S/C(=N/c2ccccc2)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 105609608 OHUIVXWLIWRNQM-KRWDZBQOSA-N 446.554 1.644 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C(=O)O)C1 208067095 NRQZAEAVMZDCGR-CQSZACIVSA-N 434.302 1.286 30 10 IDEE CO[C@@H](C)c1nc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 437711284 SNEISLXDSYWNDP-AWEZNQCLSA-N 449.558 1.938 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 460935102 URURUOPUJKAFDO-ULQDDVLXSA-N 426.587 1.106 30 10 IDEE CN(C)c1cc(C#N)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 490604501 FNPXDWIJEIOZKY-UHFFFAOYSA-N 430.486 1.603 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC=C)CC1 508811646 TUZRXLMFFOHFHS-UHFFFAOYSA-N 426.521 1.573 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 513788721 WIAPUAMVIVXZPU-QGZVFWFLSA-N 439.493 1.329 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OCC2CC2)c1=O 516374792 VRMMRKRVGLGHBJ-UHFFFAOYSA-N 441.553 1.374 30 10 IDEE CSC[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 521945776 JJTJGTGESCQGLA-OKZBNKHCSA-N 441.557 1.509 30 10 IDEE COC(=O)CN(Cc1ccccc1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 522232889 WZDCHMXSVMCBKX-LJQANCHMSA-N 434.452 1.965 30 10 IDEE C[C@@](C#N)(NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]2CCCC[C@H]21)C1CC1 550091572 VYYBMZYYOSJXSR-CHOVIJNXSA-N 440.592 1.532 30 10 IDEE CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CCN(C(=O)CC#N)CC3)cc(C(C)C)nc21 564047229 ILFKYPSXAVLKNZ-UHFFFAOYSA-N 440.504 1.475 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 603990171 PHLWHOCQOCMINZ-MRXNPFEDSA-N 427.482 1.725 30 10 IDEE CS(=O)(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)C1 619851310 BFEAXDWCFORTDO-ZWKOTPCHSA-N 430.534 1.514 30 10 IDEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)cc1 727974982 RTQHGOYTHHKOSC-ZZXKWVIFSA-N 437.499 1.239 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@H](C)c1cccs1 730144514 OJIIWPATKWCZAG-REIJGHJJSA-N 439.607 1.313 30 10 IDEE CS(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1Br 732152646 FQFGSVVXMMOMJN-JQIJEIRASA-N 442.291 1.109 30 10 IDEE N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCN1C1CC1 732648320 DDBSPFTZIIUXOC-VPFXQZGESA-N 428.558 1.898 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 734078254 VGRMAAQSEIEMEC-QFIPXVFZSA-N 433.512 1.698 30 10 IDEE COc1ccc(S(=O)(=O)N2C/C(=C/c3cn[nH]c3)C(=O)/C(=C\c3cn[nH]c3)C2)cc1 751536998 YWDHVQCSYIEBDJ-DQCYIKBWSA-N 425.470 1.882 30 10 IDEE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760402881 YJYOLCGLAJOMON-UHFFFAOYSA-N 438.897 1.858 30 10 IDEE Cn1c(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nnc1-c1ccccc1 771853119 CEZBNFMMOIHDFG-UHFFFAOYSA-N 425.470 1.654 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(Cc2ccccc2)c1=O 782626811 QGPYQSNVAYWMJO-UHFFFAOYSA-N 426.299 1.481 30 10 IDEE C=CC[C@@]1(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 790647597 FUJRYSSHLPVPLF-XXBNENTESA-N 436.597 1.855 30 10 IDEE COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2ncccc2C#N)CC1 802443716 CJMZHNRGOZCDJH-UHFFFAOYSA-N 447.499 1.956 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 813561339 HRFLIQZBRIOTKW-DOTOQJQBSA-N 433.578 1.437 30 10 IDEE C#CCOc1cccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c1 1126060386 NDIQBULYWJBKQA-QVKFZJNVSA-N 434.514 1.919 30 10 IDEE C#CCCN1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 1142803565 MDGYYDMWOTXNBO-UHFFFAOYSA-N 436.257 1.048 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1146221085 MYPVTROJTTXERU-HXUWFJFHSA-N 447.488 1.524 30 10 IDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1178399975 FLRCVMRMLNQSDL-KRWDZBQOSA-N 440.525 1.696 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CC1 1204505282 YOAGSCPUFAETJN-UHFFFAOYSA-N 430.490 1.231 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1251846510 HGKOQPZQAAMBMP-SFHVURJKSA-N 440.481 1.919 30 10 IDEE CCN(C(=O)NCC#CCN(C)C)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1256584672 IKKBTJASBJFZCE-GOSISDBHSA-N 437.585 1.441 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@H]1OC 1286280056 SOALSMOSUCVZRY-KVSKMBFKSA-N 432.546 1.858 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1286386520 CAOOGENIWXRSFL-GOSISDBHSA-N 434.587 1.687 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286392189 LCPIXBMBQDWMKH-OALUTQOASA-N 427.530 1.583 30 10 IDEE C#CCN(c1nnc(CC)n1CCCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1286395697 TVPPVIDVLCLEEQ-QGZVFWFLSA-N 426.546 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2c(C)noc2C)CC1 1286472563 JOUWEBFZBWHAKT-JOCHJYFZSA-N 428.537 1.533 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(F)(F)Br)CC1 1286473217 YYFLKGOVSBVEKP-ZDUSSCGKSA-N 436.301 1.745 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOc2ccccc21 1288868660 CLAJLBZJPPVVQO-HRCADAONSA-N 446.533 1.183 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1289085129 IKYUYSIXXLHNBM-SJORKVTESA-N 428.493 1.970 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1291802279 ATQJCXMOPBUVKO-GOSISDBHSA-N 439.564 1.890 30 10 IDEE CCOCc1nnc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)n1Cc1ccc(C#N)o1 1297219400 GCKBNMYSXQSCQM-OAHLLOKOSA-N 438.492 1.725 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1300501338 JVBBGWOMUMKEPH-IRXDYDNUSA-N 436.607 1.518 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1300635288 IMTDWXQYYZOSNE-KRWDZBQOSA-N 439.486 1.862 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1 1300665013 WPAHWJHPEGFIMO-UTKZUKDTSA-N 431.924 1.876 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1300681122 KQAKGRDPSBJXCG-KRWDZBQOSA-N 446.577 1.463 30 10 IDEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301160247 OKYUGQASGNVVPR-OAHLLOKOSA-N 446.577 1.823 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1303448821 ZOWNVHVWIKNUHM-YLJYHZDGSA-N 437.548 1.498 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1303641943 SVBYYEFEELIYNQ-IEBWSBKVSA-N 440.552 1.996 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1304189869 RQBZCJAUFJJDNJ-OAHLLOKOSA-N 429.525 1.287 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC[C@H]1CCOC1 1306201088 ZHKDRVCLGHMINI-ZWKOTPCHSA-N 440.552 1.660 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1306428222 LCFYZKRGWLWKNR-OFGXNVERSA-N 445.549 1.087 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1315531743 OSDWNEHLGPBHDL-SFTDATJTSA-N 428.468 1.786 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1315652855 AQKKKCWWWLQDOW-ROUUACIJSA-N 443.504 1.790 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1316114080 CEEPERCPAQAZGG-ZHRRBRCNSA-N 442.495 1.891 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1358960726 KMLZREVIPICNCD-SCTDSRPQSA-N 429.546 1.881 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1358986193 PUHCHPPYZMINKQ-HSZRJFAPSA-N 440.548 1.746 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1358999627 XVLWLOYTHPUAMC-UHFFFAOYSA-N 445.545 1.456 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1359036573 ZZPPOVSQZVTCKA-UHFFFAOYSA-N 429.657 1.896 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359039606 OQTMPHJJAQHPBS-GOSISDBHSA-N 428.512 1.053 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359044072 UJHDGBAUIQBPCB-HSZRJFAPSA-N 435.532 1.093 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359227098 SNYGFGINSOYUTE-ROUUACIJSA-N 429.525 1.616 30 10 IDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359247363 ZWFAUNCUUKWSCW-WOJBJXKFSA-N 440.566 1.023 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@@]1(OCC)CCOC1 1359305697 KRBVTOSBPKDKFD-DYESRHJHSA-N 431.493 1.403 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@H]2OC)C1 1359327007 PEIDFTOOCBKDOH-OMZCGLGVSA-N 436.553 1.835 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@@H]2OC)C1 1359327008 PEIDFTOOCBKDOH-RMMWZPCPSA-N 436.553 1.835 30 10 IDEE CC(C)N(CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1360683686 GEESWNOQJRJNAK-VQIMIIECSA-N 443.593 1.839 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)s1 1446402593 XHNOYTXDUCSWPA-GFCCVEGCSA-N 439.481 1.424 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1468438986 FALJFFMAVCQFMU-HZPDHXFCSA-N 445.520 1.706 30 10 IDEE COCC[C@H](Cc1cccc(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360071 BNDXDPMYMLEBTO-CQSZACIVSA-N 449.305 1.595 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1473411558 CUSJKTHXGQNNRK-ZWKOTPCHSA-N 437.585 1.880 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CC1 1477540236 GTWZIPRSBNVCHR-UHFFFAOYSA-N 428.489 1.375 30 10 IDEE CSCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1505231982 MHFOJZKGVFULJZ-NFPAXOPASA-N 447.565 1.333 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1507589613 XXBJBGWOHFAVRM-ZWKOTPCHSA-N 449.621 1.972 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1-c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1507634672 PBMKAECDOBOJQW-LJQANCHMSA-N 438.557 1.916 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1507659809 FYAGKNDZIUZTSB-RYLXDESZSA-N 433.578 1.292 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507670873 AINFDFRAYRZWHT-JOCHJYFZSA-N 447.587 1.670 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)C(=O)C1 1507747753 LDENGKVBQCSMRB-UHFFFAOYSA-N 429.546 1.615 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507784026 ZIKIAJGOCMLLKS-CZUORRHYSA-N 436.358 1.744 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1507964963 NTQXQSOSLNRROV-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1508087678 DEPKLBNWVARFJO-UHFFFAOYSA-N 429.613 1.843 30 10 IDEE Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1511615561 OCBMJORUJATJRN-UHFFFAOYSA-N 435.492 1.156 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCOCC(F)F)cn1 1517376639 SKNURMLRGXWZCG-UHFFFAOYSA-N 443.462 1.554 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1517681179 ISDFGEFMJMTYMQ-QGZVFWFLSA-N 426.477 1.254 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1519227200 CNSKUIIAQMKONT-UHFFFAOYSA-N 434.548 1.984 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(CCC#N)c1C 1523454057 ZWTWADYPNRBUMC-UHFFFAOYSA-N 433.490 1.387 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)C1=O 1538867988 ARPARPYLKQIZKS-CYBMUJFWSA-N 427.335 1.013 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F 1539259863 JFMRQMZAOSPJID-HNNXBMFYSA-N 432.406 1.686 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1539323906 LSLOQFVJEMNZIG-HXUWFJFHSA-N 426.542 1.838 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1539517100 IMRHJJYXXOAAEO-QFBILLFUSA-N 426.608 1.942 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1539751025 FXRGTEWQEVAPBC-AEFFLSMTSA-N 434.566 1.848 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1539965769 AHIKSRHNAFTPHY-QGZVFWFLSA-N 436.538 1.518 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876391 PRFGPLXRMSSZKC-ZACQAIPSSA-N 448.568 1.824 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)n[nH]2)c1C 1545221182 LJYXMIAYXXLSRK-SPLOXXLWSA-N 425.493 1.526 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1545877642 IKECEFZDAKCQBG-FQEVSTJZSA-N 431.472 1.548 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CC1 1547766557 MOXQCYIYMOHKOK-UHFFFAOYSA-N 434.504 1.420 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1555420420 DBNBHFYLCJYLKS-XXBNENTESA-N 438.532 1.805 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1555817681 HKZKZNOPUZIMFZ-IBGZPJMESA-N 444.561 1.619 30 10 IDEE Cc1nc(NC(=O)CCn2cc(C#N)c(O)nc2=O)ccc1I 1556739355 MFBUKOFHAYGSQX-UHFFFAOYSA-N 425.186 1.157 30 10 IDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1562117264 AEWCTSRQBSVKNL-WBVHZDCISA-N 439.534 1.709 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2Br)CC1 1568701353 MXBIKXIQKHUHPM-UHFFFAOYSA-N 430.306 1.142 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(C2(C)OCCO2)c1 1569830537 IBCCZPXBTXGVQE-OAHLLOKOSA-N 429.498 1.761 30 10 IDEE COC[C@@]1(C(=O)N2CCN(c3ccccc3C#N)CC2)CN(C(=O)OC(C)(C)C)CCO1 1584296208 FUIPSRBAHPLKTK-HSZRJFAPSA-N 444.532 1.859 30 10 IDEE COc1ccc(-c2ncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)s2)cc1OC 1585139533 YDWYUANGORKERR-DJJJIMSYSA-N 433.511 1.838 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1586137508 OZDUFRWCSCRJOI-UHFFFAOYSA-N 440.529 1.863 30 10 IDEE CON(C)S(=O)(=O)c1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1 1586987817 SBJOFHIXDYUCDA-UHFFFAOYSA-N 426.458 1.632 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1587813885 XRPCTYMZJQAPNH-MRXNPFEDSA-N 443.577 1.662 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)CC1 1588199479 QKJADUMPMXQZDN-UHFFFAOYSA-N 448.423 1.109 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCC(=O)NC)CC1 1588871374 BBFZBHSRUDKTAJ-UHFFFAOYSA-N 426.521 1.147 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1594497807 MMJVGLQJBJFDGT-HNNXBMFYSA-N 437.566 1.861 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1594497986 OSFOEFNAQCREGU-QGZVFWFLSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1595562341 VTENOSOZGBCOEL-PGRDOPGGSA-N 440.596 1.786 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1595659004 QHPKIOUAQJUOTG-UXHICEINSA-N 441.532 1.736 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(N(C)C)CCSC2)C1 1595745911 YRAVFHVXXHYBRZ-DYESRHJHSA-N 434.610 1.619 30 10 IDEE CC(C)(C)OCc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)no1 1597660322 DMNJNKQZQPKIHU-QGZVFWFLSA-N 443.508 1.481 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1612471965 BSNPGXGKEWNFMM-QGZVFWFLSA-N 448.579 1.454 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1617333512 WWKGXXUDFSEQAG-QAPCUYQASA-N 433.534 1.371 30 10 IDEE COC1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1619480629 ZCRBKNQFFRYWQJ-OFLPRAFFSA-N 425.493 1.859 30 10 IDEE CCS(=O)(=O)N(C)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1624577826 BAAUICCWWOBYRR-NGEICVOHSA-N 442.582 1.561 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)C(=O)OC 1626184664 WXEOIKFXZBVWQL-HLLBOEOZSA-N 436.530 1.657 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1626655828 MCCRJQNTWXXBDL-PZROIBLQSA-N 442.324 1.743 30 10 IDEE C[C@H](CC(=O)N[C@@H]1C[C@H](N2CCOCC2)C1(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1628239443 LJENIKUHIYMFII-OLMNPRSZSA-N 434.562 1.119 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)ccc1F 1631074902 YRLLDFHFJUHDAN-UHFFFAOYSA-N 434.493 1.717 30 10 IDEE C=CC1(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 1634218215 LXNFEUGXWVYSNU-CABCVRRESA-N 425.526 1.896 30 10 IDEE C#CCN1CCC(NC(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 1638678546 LXBHBOKYEBHEKO-KZFLWGQDSA-N 435.615 1.912 30 10 IDEE Cn1ccnc1[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(C)(C)CO 1643598512 DFWHKELQNNVRDW-CTNGQTDRSA-N 442.539 1.617 30 10 IDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1644073841 TXPMZSIZQQJQRA-JTUHZDRVSA-N 438.484 1.955 30 10 IDEE C=CCN(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@H]1CCS(=O)(=O)C1 1644813434 MLOUMPPLUXNRRC-ZDUSSCGKSA-N 425.576 1.730 30 10 IDEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c12 1646097178 KFYCHRXANFPWHV-UHFFFAOYSA-N 437.525 1.776 30 10 IDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)C1 1648749967 HRXNCSCHOKPICK-GFCCVEGCSA-N 445.339 1.231 30 10 IDEE N#Cc1cc([N+](=O)[O-])cnc1N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1651440621 GFSLIBOQSSELLP-UHFFFAOYSA-N 435.488 1.921 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCCO2 1652093633 DZGRDHSQMIYRBL-OAHLLOKOSA-N 429.498 1.745 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F 1659671951 CARHGLBHFOEWRS-NSHDSACASA-N 425.887 1.630 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 1660567177 DFGBWQZSHQDNHE-KRWDZBQOSA-N 448.449 1.046 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C1CCOCC1 1670502156 GRWPZUNWMHLYJB-LJQANCHMSA-N 440.587 1.876 30 10 IDEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689881093 FUYPRSDXSKIBCN-UHFFFAOYSA-N 447.547 1.646 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689932168 SBIVXOKHSIEAAV-YLJYHZDGSA-N 440.525 1.831 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689988730 VHPYIMKEIVMORZ-SFHVURJKSA-N 445.593 1.481 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689996331 HLTRJULUWPQDSC-QGZVFWFLSA-N 447.586 1.331 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1690077056 HTCAJFZYWIWEKI-DLBZAZTESA-N 431.566 1.042 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1nncn1CC 1690092278 CASVGSJKUPHWFX-UHFFFAOYSA-N 436.495 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690124257 IDGDVQRGJOKOAH-HBMCJLEFSA-N 430.597 1.774 30 10 IDEE C=C(Br)Cn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1690234744 MMFAWBHFWVIXRZ-KDOFPFPSSA-N 442.358 1.942 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690667042 OKJWOYPBYQQQFH-SFHVURJKSA-N 442.539 1.935 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCOCC2)C1 1690684676 LISNQBBFXHDOQY-GOSISDBHSA-N 432.569 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C)C1 1690728981 CJMGNZYTFKEQAG-AWEZNQCLSA-N 439.563 1.096 30 10 IDEE CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1695159814 ORXKICBZJFMLBZ-JXPGLKHUSA-N 430.509 1.661 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1695537743 JCXQIVCFQGSUQV-IAGOWNOFSA-N 428.518 1.109 30 10 IDEE CCn1cc(CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1695773500 ILNUBWIMRCOQPM-ISLYRVAYSA-N 426.525 1.955 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1705569895 KYIAUHXGJCVXFB-LJQANCHMSA-N 445.589 1.953 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1705635236 UPADXPFIWOMHDY-WMZHIEFXSA-N 431.581 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)CN2CCCC2)CC1 1705649639 DAXUGKNRKQNRMV-HXUWFJFHSA-N 449.603 1.962 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1705651698 FXXLJJHLVSQUMX-UHFFFAOYSA-N 431.566 1.401 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1705668848 VLAFGFQQHWSKSL-QVKFZJNVSA-N 447.561 1.946 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1705733744 XSQRNJLDQOSODO-UHFFFAOYSA-N 449.533 1.348 30 10 IDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1705796360 DFHQGZVAAVEGLF-QYZOEREBSA-N 438.532 1.540 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1705800265 SGBBLUQOBGCHJN-CQSZACIVSA-N 426.543 1.323 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1705805542 JNHHOOAUJQUUOG-DLBZAZTESA-N 427.571 1.583 30 10 IDEE CN(C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1711016589 MTSAYRSXILTMBE-LJQANCHMSA-N 446.577 1.266 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1722308831 QRYIIYAFTHVWAN-KRWDZBQOSA-N 438.598 1.387 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722358818 LYDZTOWPVBXQAC-OAHLLOKOSA-N 444.623 1.416 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722378532 PPBAPMVMEAATQN-MRXNPFEDSA-N 441.513 1.028 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1CCN(C(C)=O)CC1 1722425485 AELJFVXRKRINNM-UHFFFAOYSA-N 430.578 1.978 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCCO[C@@H](C)C2)CC1 1722446787 BMJSACCZBASWCO-FQEVSTJZSA-N 444.624 1.943 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)C1 1722712855 AOJSNPOJWZJRRL-OTWHNJEPSA-N 431.585 1.037 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1728207001 ASHDUPLZJSHCOD-JOCHJYFZSA-N 440.504 1.251 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c(OC)c1 1730151369 BCQVHQJEXAUPIR-ZIAGYGMSSA-N 436.538 1.692 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N(C)C)CC1 1740698764 VMALLAYMIFPOES-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C(=O)NC 1740743450 WWQVKPMRTOUVDY-JTQLQIEISA-N 439.314 1.733 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 1740821039 BEPRPDQFYVJHKX-CABCVRRESA-N 433.962 1.226 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N1CCOCC1 1747193616 DUDYNAKRUPYSPO-GOSISDBHSA-N 440.552 1.129 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1747435100 BQCORDFLUBFDDA-OAHLLOKOSA-N 432.550 1.760 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CCOC1 1748495637 HAGSZLWFXAMQHD-QFIPXVFZSA-N 426.521 1.391 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1748790193 FWRCTBXKISKTEX-LJQANCHMSA-N 442.545 1.404 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)NC 1748956488 DXKNABNBADIQEG-UHFFFAOYSA-N 428.518 1.129 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccn2)CC1 1748972148 CKBZTPJPTAOSTI-QGZVFWFLSA-N 445.593 1.016 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NCCC)CC1 1749015857 QAJYRLOSSTWUGS-UHFFFAOYSA-N 436.560 1.555 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1749086087 DJUOTFMDAVUJNP-ONGXBYRLSA-N 431.468 1.848 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1749354235 LRHDRSWXDKBWSV-AWEZNQCLSA-N 428.559 1.379 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1749401606 AOFTXMVZDRTERN-BZSNNMDCSA-N 441.598 1.971 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1749560223 JNCXJCQPMXDURL-QKLQHJQFSA-N 439.582 1.795 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC(=O)N(C)C)C1 1749709540 QNYBFMXXBCKWKQ-HNNXBMFYSA-N 430.509 1.656 30 10 IDEE COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1749837216 AHLHWRJSOHUPKU-APWZRJJASA-N 446.577 1.865 30 10 IDEE CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1750262361 AUDKKOFPNGQMOW-RHSMWYFYSA-N 443.570 1.534 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCOCC(F)F)CCO1 1750387949 FXIWRHFYOJJDGF-LBPRGKRZSA-N 426.449 1.280 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1750980171 FQHBDTYHICDPOS-UHFFFAOYSA-N 448.535 1.966 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1760097884 LIJBCLFXCCZFCH-GJZGRUSLSA-N 442.545 1.951 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCOCC1 1760176486 MUBNKHGKKZKIPN-UHFFFAOYSA-N 438.576 1.254 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760191253 DLJUZNCSNSUQSD-SFHVURJKSA-N 446.577 1.072 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760191349 FYDJCZDVKBXYKL-RTBURBONSA-N 445.589 1.742 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1760232389 CSXROFHBCHHLAO-UHFFFAOYSA-N 440.529 1.252 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1760357019 BVWYCVMNVQYNOS-KRWDZBQOSA-N 439.582 1.222 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCC2)C1 1760535560 SWEUEPFLNYGEDU-SJORKVTESA-N 440.614 1.544 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760565173 POXJWUZJPIZRRC-HZPDHXFCSA-N 446.581 1.623 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1760836199 RWKMWZXHSKEFMJ-RBUKOAKNSA-N 435.532 1.836 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1768750666 JCHMMTNLIXSOLF-HTXNQAPBSA-N 428.472 1.389 30 10 IDEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1769716354 VTFOVCWSTQNDRT-UHFFFAOYSA-N 432.550 1.972 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1769719179 WSNABQYHBHCGBL-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cn2ccc(C)cc2n1 1770050214 JEZOJSNSYHLVIM-SJLPKXTDSA-N 425.493 1.735 30 10 IDEE COCCOC1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1770071926 DOJZPRSVNGAATM-FXAWDEMLSA-N 437.516 1.826 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CCO1 1770944856 YMIJIULQBABBNR-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1771368745 HRLSPSBLIJLWRR-LJAQVGFWSA-N 447.586 1.741 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1771530818 UYKFDVIVGXRVFU-HTAPYJJXSA-N 439.495 1.884 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1771539174 PGZKEZMOXBELIE-XHSDSOJGSA-N 444.458 1.512 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)OC2=O 1774174027 ZXTWPLPYGDZUFU-QVKFZJNVSA-N 436.509 1.379 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3C)CC2=O)CC1=O 1853824343 DAADWYSSNCCZAK-CQSZACIVSA-N 439.921 1.042 30 10 IDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)C2=O)ccn1 1855028019 PVDNXBFVIZLHQA-GOSISDBHSA-N 444.900 1.506 30 10 IDEE CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1856536186 KICIIGDNOSCNCG-IEBWSBKVSA-N 429.542 1.776 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N(CCO)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 1857960096 DXEGUVWFFLGAGT-GOSISDBHSA-N 431.445 1.727 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@]1(F)COCCN(C(=O)OC(C)(C)C)C1 2011324371 HWASTDQOFJAEDS-AWEZNQCLSA-N 431.324 1.790 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2136173225 QKKJNUOIIABSMV-MELADBBJSA-N 426.267 1.600 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674640 MACVNOVSKJMZHK-LLVKDONJSA-N 426.348 1.843 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2255631504 ZSXGDAOWFOHZAX-MJBXVCDLSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)CO1 2255655302 KNJPJDCCVSMWGX-ZDUSSCGKSA-N 437.277 1.801 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCON(C(=O)OC(C)(C)C)C1 2255815239 KUFVSAWVCZYYGB-CYBMUJFWSA-N 436.318 1.390 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)n1 2255844131 RBRPDDQHQDOYSF-UHFFFAOYSA-N 435.334 1.101 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2256678179 BKYQNLNRDIYSBM-UHFFFAOYSA-N 433.314 1.738 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256917309 SWMGGPIZKNSVMB-BBRMVZONSA-N 429.282 1.497 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267142730 YHLPBBRDRZDLAA-HSZRJFAPSA-N 440.353 1.466 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2267529211 YDMWMWAWPHYNCH-FPTDNZKUSA-N 446.357 1.941 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267540612 TXJJBNBSRVPASN-MELADBBJSA-N 447.345 1.242 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@@H]1CNC(=O)OC(C)(C)C 2267600544 IBWWVRGTGPGXSA-INIZCTEOSA-N 449.357 1.690 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=[S@]3(=O)CC[C@@H](N)C3)cc2Cl)OC1(C)C 2282316785 HZDQAISIFLWDGB-IJRMKIOGSA-N 440.805 1.588 30 10 IDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N(O)CC(=O)O)c(Cl)c2)OC1(C)C 2284412725 XLAHCTBSDFFRGT-UHFFFAOYSA-N 426.083 1.757 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2312855305 KOAOWJZUEMWUBB-NPJQDHAYSA-N 440.346 1.316 30 10 IDEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)NCc1ccccc1 59884706 OSEJBEVNSQFQIN-SRZZPIQSSA-N 426.462 1.755 30 10 IDEE N/C(CN1CCN(C(=O)c2cc(Br)c(Br)s2)CC1)=N\O 128575905 ISUCFEOVONOBIJ-UHFFFAOYSA-N 426.134 1.777 30 10 IDEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2cc(OC)c(OC)c(OC)c2)[nH]1 253561962 CRYIMWTULRPQOM-QGMBQPNBSA-N 438.466 1.641 30 10 IDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(NN=C3CCCCC3)[nH]2)CC1 253575923 VETLNGFYPLLNSQ-UHFFFAOYSA-N 436.586 1.298 30 10 IDEE C[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCN1CCO 426483187 BTLUSJQGMVAHHV-ZWKOTPCHSA-N 429.565 1.354 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 429045856 TVXICJVHNDTSQS-FQEVSTJZSA-N 431.606 1.233 30 10 IDEE CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 433366196 RJIMYJYOOGXKBX-UHFFFAOYSA-N 430.305 1.598 30 10 IDEE Cn1ccnc(N2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)c1=O 435168066 HSRZMBATRWLLIK-UHFFFAOYSA-N 427.408 1.182 30 10 IDEE CN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1CCN(S(C)(=O)=O)CC1 446629872 CGBDNZVZEMNOIN-UHFFFAOYSA-N 435.550 1.709 30 10 IDEE CCC(=O)NCc1cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1OC 460758741 NHQIKZVYYIABRM-UHFFFAOYSA-N 440.485 1.975 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 460771528 OMBJCEBGTGCKEH-AWEZNQCLSA-N 435.472 1.886 30 10 IDEE CCc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 460955625 FSJOVTJPCXYMQG-UHFFFAOYSA-N 426.545 1.272 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)C1=O 479064070 RKHBLRMBASSICV-UHFFFAOYSA-N 444.451 1.909 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 506121837 IAABVIXBAHDZOU-AWEZNQCLSA-N 439.501 1.510 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C 516899313 HOUBTQXJLYZMJB-UHFFFAOYSA-N 434.443 1.757 30 10 IDEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546874706 HHRDKOMDZXQSCW-UHFFFAOYSA-N 427.530 1.945 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)c(OC)c1 546877469 VAOLQUWRGKEVOH-MRXNPFEDSA-N 435.484 1.672 30 10 IDEE COCCNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(C#N)c(OC)c2)cc1 562912050 ISZYYKKHBLIROO-UHFFFAOYSA-N 432.502 1.491 30 10 IDEE CN(C)CCNC(=O)C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 567386439 PJSNUGIONYIDDS-UHFFFAOYSA-N 443.939 2.319 30 10 IDEE N#CCN1CCC(NC(=O)C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 585715623 AKIUZHKHGXJOAE-SFHVURJKSA-N 435.931 1.836 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 588152389 QWYFOMQQQDKCOY-MRXNPFEDSA-N 443.544 1.499 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1 603989762 HMQMUBQGXFOJBX-GOSISDBHSA-N 441.553 1.515 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC1 605414580 KLQUXXMCBKKFCK-UHFFFAOYSA-N 449.577 1.313 30 10 IDEE N#Cc1c[nH]ccc1=NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 609785720 XVECTALGPNGGDL-UHFFFAOYSA-N 437.275 1.130 30 10 IDEE COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cncc(B2OC(C)(C)C(C)(C)O2)c1 616219273 FYHRSHRBKXZSKV-UHFFFAOYSA-N 434.279 1.888 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@H]1CCCO1 618638113 YZXKAGHIVGAIHC-LJQANCHMSA-N 448.548 1.665 30 10 IDEE COc1cccc(OC)c1OC1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465097 CBJOOEXABVYNFH-VZCXRCSSSA-N 444.488 1.783 30 10 IDEE COc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1C#N 746877737 MSBMCUWYHMBUFF-SFHVURJKSA-N 429.498 1.954 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2=O)cc1 754420204 KWPXYYLKIFXEAM-IBGZPJMESA-N 432.480 1.981 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)Cc2ccccc2CC#N)cc1 761113595 JYRPGBFDYWRXOE-UHFFFAOYSA-N 425.470 1.508 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 774262621 UQGOZSUXYZASIE-GOSISDBHSA-N 447.605 1.781 30 10 IDEE C[C@@]1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCN(C(=O)OCc2ccccc2)C1 794221079 DRXOALNGOWNERS-YVHXKWHWSA-N 426.473 1.820 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 800088361 WNQQFTMHEXNIEF-SJPCQFCGSA-N 430.571 1.956 30 10 IDEE COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 816695658 IBVLPCCKADPVMR-AWEZNQCLSA-N 439.877 1.869 30 10 IDEE COCCNC(=O)CSc1ccccc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916775265 OLMPEDXSPYMMJY-UHFFFAOYSA-N 447.538 1.673 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccccc1 1116936031 ALJZRMUSYYVKIQ-UHFFFAOYSA-N 440.529 1.762 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)[C@H](C)COC 1130889836 BIIHOYICUYBJQS-MRXNPFEDSA-N 438.546 1.923 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F 1142612288 KXIMTTKCJGXTNS-XAGMJWQQSA-N 436.390 1.539 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1150271835 NMCZFTBJOPKZDR-INIZCTEOSA-N 428.555 1.646 30 10 IDEE C=CCCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1168626474 BKQLJLJKYSMCCA-UHFFFAOYSA-N 429.926 1.577 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](Cc3cccc(OC)c3)C2)c1 1169249822 DWVNBAVSLGHKIZ-LJQANCHMSA-N 429.542 1.816 30 10 IDEE Cc1nc(=NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n(-c2ccc(F)cc2C)[nH]1 1179323738 KJVHQDMUGWZTHX-UHFFFAOYSA-N 427.461 1.870 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1286343555 WBXBTRAXDLZCKY-VGOFRKELSA-N 443.573 1.980 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286438143 BQAJOYCRYMRJQO-KRWDZBQOSA-N 433.438 1.461 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1286448365 SNLWNNVJOVLOHP-GOSISDBHSA-N 429.546 1.438 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1286451735 OJYLQJJHOHLAKH-GJZGRUSLSA-N 447.561 1.728 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2csc(COC)n2)CC1 1286485211 XMFIENCNMUNTTL-UHFFFAOYSA-N 440.577 1.546 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286514793 PVHHODVQVDRPKM-ZWKOTPCHSA-N 434.610 1.533 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1288199618 IBMYZQCPWRPYNG-UHFFFAOYSA-N 446.519 1.243 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCSCCCO)CC2)c1C#N 1290576129 APKUPANKAXEGGY-UHFFFAOYSA-N 432.598 1.757 30 10 IDEE C[C@@H](CC(=O)NCc1cnc(Br)cn1)/N=C1/NS(=O)(=O)c2ccccc21 1297795703 CGPYAWUZJGQATE-JTQLQIEISA-N 438.307 1.373 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1300304522 SLVSVXRTISLOBW-TZIWHRDSSA-N 435.576 1.899 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1300473526 XHJXKANPMZFVNC-MRCUWXFGSA-N 431.456 1.325 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sc(C)nc1C 1300652588 BRHGNNFYBHDRFP-ZDUSSCGKSA-N 426.568 1.096 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(=O)NCCC)C2)nnc1C(C)(C)C 1301595800 APESUIHFFHCYRU-MRXNPFEDSA-N 425.599 1.919 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301717978 XZHGKRURFSMXIV-RTBURBONSA-N 440.504 1.899 30 10 IDEE COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1301718180 CUPRATYHAVNDLI-YLJYHZDGSA-N 438.598 1.279 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1302089516 NDWAXECBYMFTCO-HNENSFHCSA-N 427.553 1.777 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CC2)C1 1302505096 FQCZNJKRNMALTC-QGZVFWFLSA-N 430.534 1.514 30 10 IDEE C=CC[C@H](C(=O)OC)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1307841254 BCSPICQXMMQNFU-FGTMMUONSA-N 436.553 1.972 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)C1 1309842687 AEHBIPVOWJQZNZ-LBPRGKRZSA-N 437.490 1.035 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1314427839 GJFZNNIANNWBJX-WPCFFEEUSA-N 444.536 1.909 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1314814089 PYQMCNWJBHDXTG-UNEBPCJRSA-N 437.504 1.263 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358900693 QRDBTJPJYVDIOT-MUGJNUQGSA-N 446.596 1.403 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCCC1 1358948388 BJNJBSMQPBVTCK-SFHVURJKSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc(CC)n1CCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1358963153 CQODASMFWQQMBJ-QGZVFWFLSA-N 426.546 1.826 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCCOC)CC1 1359035868 HBYWUXDDJBBWJJ-OAQYLSRUSA-N 441.532 1.599 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359062450 IOVYTRXJGIDSJN-MRXNPFEDSA-N 427.596 1.356 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1359240465 OWEAGSQHNZWEQN-QZTJIDSGSA-N 435.550 1.621 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359293787 ZMXAJCFJUCRJCW-LJQANCHMSA-N 447.543 1.779 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359299347 CLEMYHRCIGSFSG-IAGOWNOFSA-N 448.568 1.920 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1359343124 MKTGSJCPFIOEMG-HNNXBMFYSA-N 443.595 1.378 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1359473512 DFEZWFYRQRQZGC-QAPCUYQASA-N 426.477 1.245 30 10 IDEE CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359657203 CZOOHXGWLBJGGP-UWJYYQICSA-N 433.532 1.313 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ncccc2F)CCOC1 1360347973 QLBBJYZXLDLXOD-IERDGZPVSA-N 446.483 1.661 30 10 IDEE Cc1cccc(CN2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1454306007 AAURQFGIZIANIQ-FXAWDEMLSA-N 426.542 1.924 30 10 IDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1461765826 HXARKWLDWBEBLM-TZIWHRDSSA-N 445.479 1.771 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1463450583 ASHJSFSSHYWDMG-GOSISDBHSA-N 436.534 1.729 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 1465278379 IFGCZSVSNXZKSF-UHFFFAOYSA-N 435.454 1.527 30 10 IDEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1466194955 ANCYDCRUHZBLHJ-UHFFFAOYSA-N 430.556 1.237 30 10 IDEE CN1C[C@]2(C)CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@@]2(C)C1 1470676249 WYNCCEGZIBAKPZ-FGZHOGPDSA-N 430.574 1.759 30 10 IDEE CN(CCC#N)C(=O)CCN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1473743496 GKADBKNDMGPVIA-BBWFWOEESA-N 435.525 1.263 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1475696845 DBUQJZPINXFNFU-UHFFFAOYSA-N 444.575 1.108 30 10 IDEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1494563094 FTAXAXGSJGTRNY-AEFFLSMTSA-N 445.545 1.636 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCSC1 1503110122 XYPPSOBEGRQKMC-FQEVSTJZSA-N 429.550 1.276 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1504594890 BCFMWVBBEGPKKL-GOSISDBHSA-N 441.511 1.202 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1504812350 CESRYARQIOOWJK-VQTJNVASSA-N 437.548 1.500 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(=O)(=O)CC 1507511536 BFVUUAACIJXCQR-KRWDZBQOSA-N 446.577 1.935 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1507531822 DIRAGCVYHZQIPM-JKSUJKDBSA-N 435.532 1.955 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507630805 HWCTVKGRWPUFPG-QGZVFWFLSA-N 447.561 1.486 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1conc1COC 1507709464 UXOMRPKFJPMEFC-UHFFFAOYSA-N 439.472 1.985 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CCC1 1507713264 CSNNSJCNRWPVPF-UHFFFAOYSA-N 437.591 1.687 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1507717158 ZGQFHAWTMXJLMT-QUCCMNQESA-N 435.532 1.662 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)CC1 1507731315 FOQQDTUWLNTRDS-RTBURBONSA-N 435.594 1.285 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCn2nc(C)nc2C1 1508105403 NJFWIKWHQPYXIO-UHFFFAOYSA-N 436.520 1.950 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1510117910 XNYZFLTVTNRSDB-JCGIZDLHSA-N 433.534 1.226 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1515098810 FYUUSSDWYIDATB-NRFANRHFSA-N 442.545 1.358 30 10 IDEE CN(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1517018564 OEBOZSSRTZPXBP-IBGZPJMESA-N 435.529 1.290 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc1 1526833279 TYUIJUQCNBDDBA-OAHLLOKOSA-N 433.511 1.179 30 10 IDEE C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1527484829 JXNGADAIGZOOFV-DOTOQJQBSA-N 443.504 1.401 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(Br)cc1C#N 1535115737 CTWJAKLFXSXYFL-CQSZACIVSA-N 429.292 1.052 30 10 IDEE CCOC(=O)C1([C@@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOCC1 1536891690 DYIBSWLJQHWFAX-OAHLLOKOSA-N 437.518 1.357 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1539267100 WISFHGVBNCXLRY-LJQANCHMSA-N 443.548 1.881 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539344678 GUNMFVCBCXMORC-NRFANRHFSA-N 447.561 1.346 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC1CC1 1539400998 PCRFFEZOQVUBGQ-UHFFFAOYSA-N 449.353 1.658 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1539518816 BAKVXFAXUBAGRJ-AWEZNQCLSA-N 432.500 1.727 30 10 IDEE C#CCSCCn1c(N2CCN(c3ncnc4c3cnn4C)CC2)nnc1C(C)(C)C 1539530316 FNWPIOODNVFESQ-UHFFFAOYSA-N 439.593 1.945 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CCC)C1 1539617058 UJBFIGHHWLZELE-BDXSIMOUSA-N 441.598 1.875 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1539954037 YIVQMALDADHYDR-OKZBNKHCSA-N 440.614 1.402 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1540187921 XYWKOCMGKBPKMW-AWEZNQCLSA-N 440.426 1.736 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CC(N)=O)CC1 1540905813 ZZEQLAYOEHKWHK-UHFFFAOYSA-N 437.591 1.623 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1541284790 QCVJURNVYXSFEN-MJGOQNOKSA-N 435.532 1.551 30 10 IDEE C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CN1CCN(C)CC1 1542935611 GIDGSQHADOFSRV-SUYXUUSGSA-N 433.597 1.773 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1554128170 VTTDMKITKNENCI-UHFFFAOYSA-N 447.565 1.107 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2=O)cc1 1556172437 ZUBJMIUCCPMYSF-WAOWUJCRSA-N 447.413 1.981 30 10 IDEE COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1561379241 CMMXCLZLDSVRBE-GFCCVEGCSA-N 449.920 1.996 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1564890875 GEOHPPVNHXYXDB-KRWDZBQOSA-N 430.509 1.421 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)N3CC[C@H](N(C)C)C3)cc2C1=O 1569836406 SXALEPMNTMHXDE-PXNSSMCTSA-N 440.544 1.776 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1586810835 LQSFTYFGMUIMSC-OAHLLOKOSA-N 449.252 1.335 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2C[C@]2(O)CCN(C)C2)c1 1587693394 SBELUDHZTKITDI-DEOSSOPVSA-N 438.576 1.990 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1588069521 PSELYYYVNNKJSO-GOSISDBHSA-N 447.605 1.854 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1588673662 WLJKESRCPVSCJC-MRXNPFEDSA-N 442.486 1.371 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCS(C)(=O)=O)CC1 1588762335 GYRGNVRGMDXZMV-UHFFFAOYSA-N 439.545 1.135 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccn2)CC1 1588968849 RHEXMSHCBUARHP-UHFFFAOYSA-N 425.562 1.602 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589528539 HCYCULACJOEJFZ-LHHMISFZSA-N 432.525 1.487 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1589579390 KTOKEZAONVPWMK-QPXQOZNCSA-N 447.580 1.967 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1593747407 VSHSBRAXYWTNHK-YESZJQIVSA-N 425.555 1.192 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCS2(=O)=O)CC1 1594022963 AXKVNFHUJLKCSN-IBGZPJMESA-N 425.555 1.122 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1594669164 PUGKBDVQDGYTHW-ICSRJNTNSA-N 445.612 1.761 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1595119624 CAAIRVONWDIJOL-HSZRJFAPSA-N 442.539 1.912 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Oc2ccccn2)C1 1595467747 YQPKIVQQPFXWNU-INIZCTEOSA-N 448.487 1.280 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1595556149 PGYRBJBPBFRTIM-UHFFFAOYSA-N 436.560 1.928 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)C1 1595728952 HWNXEKUGHGYSOM-PBHICJAKSA-N 449.458 1.953 30 10 IDEE CCOc1ccc(C(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OCC 1597361030 ALAFZVFBABZWNI-KKSFZXQISA-N 434.514 1.844 30 10 IDEE CC(C)C(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1598080859 UZYLXJMWCPTTKZ-UHFFFAOYSA-N 436.564 1.986 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCO[C@@H](C)C1 1608453566 IYRUBFHJYZFSFH-LSDHHAIUSA-N 439.520 1.766 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCc4ccccc4NC3=O)C2=O)cc1 1611419538 SEHHOQDXSWCXBV-MOPGFXCFSA-N 431.452 1.833 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CC(F)(F)CO1 1611697669 YNEWUAXIBTZNHQ-WOSRLPQWSA-N 432.497 1.443 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1613434545 RUWQFJQXCGTEDB-SCTDSRPQSA-N 429.569 1.653 30 10 IDEE Cn1cc([C@@H]2CN(CC(=O)N(CCC#N)CCC#N)C[C@H]2NC(=O)OC(C)(C)C)cn1 1618740256 BXUHDJUNKVOELI-ZWKOTPCHSA-N 429.525 1.369 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1619989974 LVMYSEDFTMBMBA-LVCYWYKZSA-N 438.548 1.801 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cc(Br)no3)C2=O)cc1 1624420857 ULHQHARRCYKPOL-CYBMUJFWSA-N 432.234 1.830 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc3ncc(Br)cn3n2)[C@H](C#N)C1 1624812867 ALTPXZLQUIWGHA-ZWNOBZJWSA-N 435.282 1.981 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C(C)=O)[C@H]3C[C@H]3C)cc2)CC1 1625066613 LWYWXPADMRIQQF-BEFAXECRSA-N 433.534 1.065 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 1626970559 SRVIBRYSLITHLK-UHFFFAOYSA-N 446.460 1.989 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1628174021 CSYNUIVRCJZCJB-ZDUSSCGKSA-N 425.486 1.313 30 10 IDEE C=CCc1cc(CNC(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)cc(OC)c1OC 1630469201 OEPWGOSPAQXKOA-OAHLLOKOSA-N 425.551 1.903 30 10 IDEE Cc1c(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1631330391 BIURGGAVQLCNDX-QGZVFWFLSA-N 432.484 1.163 30 10 IDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1632808812 DCZDMKVPFFNZPD-ZEDYHNJOSA-N 435.521 1.954 30 10 IDEE N#Cc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1Br 1636696129 ILYYRQZGNVAGMG-JKGQDXBKSA-N 440.319 1.262 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1638969721 DANSGAXHUHVPKG-WKILWMFISA-N 436.534 1.789 30 10 IDEE COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1645480946 HXWZOGJLAGYICJ-SCLBCKFNSA-N 433.461 1.265 30 10 IDEE COc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1646439296 AAAPWMKPPBIQHJ-AOMKIAJQSA-N 439.493 1.958 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 1647902687 GGIATYZTAZUFKW-RBUKOAKNSA-N 425.510 1.474 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)c1 1650628298 DQGLNOSIFOESON-WGSAOQKQSA-N 426.494 1.850 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)c1 1655772923 YSQSDCIXNWVUBY-IBGZPJMESA-N 427.526 1.929 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)cc1 1665968995 ILKZLYWHVHONIE-OAHLLOKOSA-N 444.579 1.286 30 10 IDEE COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1674352877 BPTCWGIRQJLCJB-LJQANCHMSA-N 436.534 1.016 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)n1 1682496539 BZKDLANRGNSPLT-LJQANCHMSA-N 449.552 1.700 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@H]1CCS(=O)(=O)C1 1683312026 GNLGNHDUTIGSLG-ZFWWWQNUSA-N 427.885 1.416 30 10 IDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CCOCC1 1685657521 UKKSWXIOAWTEKH-UHFFFAOYSA-N 446.451 1.440 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1689948520 YNZZLUJPOQZXIJ-JPYJTQIMSA-N 443.523 1.871 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1690019764 QXYRPZPIRKTVEU-GOSISDBHSA-N 439.520 1.625 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1690057875 KDWZMSPQRQCXJC-UHFFFAOYSA-N 438.923 1.907 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1690170299 DSCDFLSVBMLSDK-UHFFFAOYSA-N 437.529 1.629 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690236019 HHWRPGXLNVPAOC-ROUUACIJSA-N 432.569 1.556 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690419487 UGSKQVKPJPTBJH-UHFFFAOYSA-N 433.601 1.665 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 1690485037 JXTJPGKQOUWNOY-SFHVURJKSA-N 440.614 1.544 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1)C1CC1 1690537965 YTRKZYBMQPSJKZ-OAHLLOKOSA-N 438.598 1.692 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690613235 ABSFRMLHFDOJQJ-FQEVSTJZSA-N 431.518 1.005 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690721115 YBDIRGZYLCKXIP-KRWDZBQOSA-N 430.534 1.102 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690740512 XTODTHGOSPVPHQ-MRXNPFEDSA-N 444.565 1.364 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CC(F)(F)CO1 1692786131 ZWDYPTAFWFNKQH-CHWSQXEVSA-N 432.497 1.443 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@@](C)=O)CCC1 1694737806 GFVYKGMGTAZWGW-INCQDFKNSA-N 428.566 1.518 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@H](NC(=O)CC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696066727 HNTHYZSFNWOASS-AOMKIAJQSA-N 442.520 1.938 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1696470985 WNRYMIPVUODWLC-HXUWFJFHSA-N 430.534 1.166 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)N(C)C)CC2)n1 1697629713 VUKQADIGFIANOJ-KRWDZBQOSA-N 447.547 1.892 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1697777925 UWNICJQTMHGAAK-IBGZPJMESA-N 443.527 1.448 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1698296067 RMJCMEVSSRKBCY-IPMKNSEASA-N 445.545 1.370 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705517477 WPRGHJPBTQCGLW-HXUWFJFHSA-N 430.597 1.966 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 1705632796 BUIPPDCKWDPFHT-INIZCTEOSA-N 438.511 1.982 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnccc2OC)CC1 1705647377 CYBQEYKPZIEDPY-SFHVURJKSA-N 438.532 1.590 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1705708109 XXVBHUQXRWVREC-FYQPLNBISA-N 433.553 1.652 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1705717143 DCIWQVSKKICBPP-QGZVFWFLSA-N 441.598 1.709 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705739638 MGUDAYOCTIETPM-SFHVURJKSA-N 438.488 1.962 30 10 IDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705757971 FVLDAEOLFRGWON-CYBMUJFWSA-N 435.941 1.578 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)[C@@H]1CC 1705901545 ORVLHLUHGGXKRH-KRWDZBQOSA-N 435.488 1.617 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2cccc(Br)c2C1 1705901579 PQBGUQNSELSMAB-OAHLLOKOSA-N 445.321 1.814 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705906843 QJGLRVWBUWPVSE-SFHVURJKSA-N 447.561 1.481 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)C1 1705922245 JCJVMCDLIOSJPA-HNNXBMFYSA-N 430.534 1.757 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705932949 PFSNWZVCGBCUKH-WBVHZDCISA-N 445.545 1.269 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706609929 KIJFBYLOVFFPSQ-RJCBAWPRSA-N 443.552 1.815 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@](C)(O)c1ccccc1 1706866791 ALURSBNSIJFBHM-IERDGZPVSA-N 446.577 1.926 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708315320 RUNZGRIAZCDEAE-LHSJRXKWSA-N 430.509 1.698 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1711415893 CCLKOZPQHWIPMG-WMZOPIPTSA-N 446.533 1.205 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1712455286 RXERFOOTSVOMJE-WIYYLYMNSA-N 429.525 1.773 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1OCCOCC)[C@H]1CCS(=O)(=O)C1 1722366665 SBQAPDFEGFAPKI-FQEVSTJZSA-N 446.573 1.985 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCN1CCN(C(C)=O)CC1 1722387011 PTCFMEOPRJRFNN-UHFFFAOYSA-N 434.544 1.402 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)N(C)C)CC1 1722449135 HGVSPGXCBPIENU-UHFFFAOYSA-N 447.543 1.335 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722534873 YKGXCWDTVWMEMJ-UHFFFAOYSA-N 436.520 1.443 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@]2(CCOC2)C1 1722727087 IFPXHCJOSPLPJF-HXUWFJFHSA-N 433.534 1.245 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1722727852 OUFPPOGFXXRNHY-QGZVFWFLSA-N 442.549 1.682 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)C1 1723470169 CTYPSJNONTWOTQ-IBGZPJMESA-N 429.569 1.611 30 10 IDEE Cc1cc(C)nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)n1 1724194906 CLTMQWILYCEUSH-UHFFFAOYSA-N 445.531 1.638 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)CC2)cc1 1731183715 VQQAZMIMZXBDKQ-UHFFFAOYSA-N 435.532 1.866 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740616996 KAKDVNOJMCBISZ-UGNRZPKXSA-N 436.578 1.601 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1740621494 MGSHUQDGDGXTGA-MRXNPFEDSA-N 444.561 1.129 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1740627167 YUSFBQHDEIZDIL-IBGZPJMESA-N 427.530 1.237 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1740627190 FEHIYKLZBSPPGO-MRXNPFEDSA-N 435.550 1.739 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1740671714 MVLDLXSINZGSMZ-SJORKVTESA-N 437.541 1.707 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)CCOC)CC1 1740692059 GIQXXAGOHNFKLU-HSZRJFAPSA-N 441.532 1.259 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1740706243 UWUDHGUIWQQXQM-IRFCIJBXSA-N 442.608 1.868 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1740710763 BUWPEQGINORVNC-UHFFFAOYSA-N 444.517 1.515 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740782260 JWNFWVJAHOLPEP-AVYPCKFXSA-N 437.566 1.860 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(CCOC)c2)CC1 1740840362 WTBZRCPIADUVIP-GOSISDBHSA-N 434.566 1.474 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1740898981 CGRHKKDMVJVTBE-DZGCQCFKSA-N 440.595 1.802 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1740932793 VWZVFCXGALWFHR-GOSISDBHSA-N 433.534 1.543 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1740957226 GMDJQOVXEYAPIY-UHFFFAOYSA-N 439.545 1.989 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740961147 NDPWOKUAWREBMF-FDDCHVKYSA-N 425.533 1.864 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740991996 KOPLRVAGTFWPEA-UHFFFAOYSA-N 440.614 1.661 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C1CC1)N(C)C 1748649385 OBLNGSWJJABWFD-UZLBHIALSA-N 444.605 1.994 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748808270 JDTBWQYKOPVPQN-QGZVFWFLSA-N 430.530 1.495 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748817054 DAKNBVRFPJFJQZ-QRVBRYPASA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748817499 LMZILPSVDMDZKU-IPMKNSEASA-N 435.594 1.141 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1748869078 SORZWEPEWSTZML-OFNKIYASSA-N 427.549 1.652 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1748922449 AGXGJPQANJYDCX-GOSISDBHSA-N 449.559 1.855 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1748928950 BXKBFPXDCJVDMB-ADYPVZHUSA-N 429.546 1.784 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCCC1 1748959975 CHSSKTRINXZKSS-UHFFFAOYSA-N 428.537 1.966 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1748990446 WTAMIUQNVQFSGW-UNMCSNQZSA-N 438.576 1.849 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749031651 DQWPGIZETJEBAM-KRWDZBQOSA-N 448.618 1.814 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N2CCOCC2)CC1 1749330942 SHMJCMKBLJGCRG-JOCHJYFZSA-N 433.553 1.580 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(F)cccc1F 1749487634 FYEUJAOURQFPTL-QGZVFWFLSA-N 441.504 1.754 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1749536630 SCECBJWDHJOCEE-DOTOQJQBSA-N 432.550 1.360 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1749640384 UTDUXPIONJYFJV-UHFFFAOYSA-N 437.592 1.841 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1749721548 NIBKXIKMUPICNQ-UHFFFAOYSA-N 442.545 1.623 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](CC)C1 1749741093 PBAKKSOOODHJCC-BBWFWOEESA-N 444.623 1.935 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1749824722 NKMBEMAUGSCILE-XSLAGTTESA-N 426.521 1.575 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CCOCC2)C1 1750378695 RHRRUCUSWXOAFJ-NRFANRHFSA-N 434.516 1.789 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760180557 HMWYZLIIBQTLIL-QZTJIDSGSA-N 449.602 1.348 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C)nc2)CC1 1760272086 YCQQAKWCWBUICX-UHFFFAOYSA-N 429.528 1.981 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760376808 FARWZVUHYPCARL-UHFFFAOYSA-N 444.927 1.868 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCc1cnccn1 1760524694 GITNPBKGQZQNLW-UHFFFAOYSA-N 427.459 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760555419 FQWHWXHXWXHRBE-ABSDTBQOSA-N 440.566 1.505 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCCO1 1763177581 DSYSBHGMOHXUDL-INIZCTEOSA-N 433.534 1.779 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1768517580 IXPLANXODMHECB-GOSISDBHSA-N 432.550 1.018 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@@H](COc2ccccc2C#N)OC(=O)[C@@H]2CN(C)C=N2)cc1 1851918752 XIYGFHMHPLAQSZ-QUCCMNQESA-N 441.509 1.974 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc(-n3cccn3)nn2)cc1 1853087205 QIRWMOHHZQMTLK-IBGZPJMESA-N 434.456 1.471 30 10 IDEE N#Cc1cccnc1C1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)CC1 1854999525 PJLOPKFMJGFUKN-QZTJIDSGSA-N 430.530 1.085 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)C1 1855278784 GHADIMDWCFZEAG-INIZCTEOSA-N 445.463 1.715 30 10 IDEE C=CCCC(=O)N1C[C@@H](CN2CCCN(C3CCS(=O)(=O)CC3)CC2)CCC1=O 1855690275 WOKHJROJKOMRLS-GOSISDBHSA-N 425.595 1.303 30 10 IDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(OC)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870002416 MMKZDGGVIXCJRI-INIZCTEOSA-N 431.518 1.499 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060622302 YMCLBFYHVPWCDB-YOEHRIQHSA-N 434.342 1.876 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523723 JRCNOZYKTAIANZ-MAUKXSAKSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141670102 KQSYBMIBXMRGMD-ZBFHGGJFSA-N 447.341 1.937 30 10 IDEE N#C[C@@](N)(Cn1cnc2c(I)ncnc21)C1(Br)CC1 2141689896 KUMBDBIFBUWFCM-LLVKDONJSA-N 433.051 1.579 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](OC)C1)B1OC(C)(C)C(C)(C)O1 2247963619 YKDQAQGXJQOMGY-HUUCEWRRSA-N 446.375 1.728 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2248404472 MMOQBIJCRYGIDU-AWEZNQCLSA-N 440.371 1.891 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248404593 NJSYQVRQULGUOF-IUODEOHRSA-N 440.371 1.938 30 10 IDEE Cn1nc(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2255623117 JJRDRQMIBCCARO-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE C=CC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2255698692 RVODDIDKXZJMSB-UHFFFAOYSA-N 433.318 1.020 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 2255818672 OHWWXGKVSRIQSI-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)n1 2267112599 JINIHMZPBZXYES-ZDUSSCGKSA-N 447.345 1.244 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C2CN(C(=O)OC(C)(C)C)C2)C1 2267187231 VCTNBISFCXUQTF-UHFFFAOYSA-N 446.357 1.658 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267198457 YFHXUFOTRZBRCX-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CCn1cc(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267491972 LXIARZQSZSNLGA-RCDICMHDSA-N 446.357 1.941 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267553577 ZVKFFIMXDAVLON-JLCFBVMHSA-N 444.341 1.763 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2267596348 IWZXXCBCXRECSB-SFHVURJKSA-N 433.321 1.626 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267805968 QFHQBNHLKCSPKL-HOTGVXAUSA-N 448.325 1.713 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267827165 QZDMKXALLOAIHW-UHFFFAOYSA-N 446.357 1.479 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267827422 UTCYVAILOTYURN-OKZBNKHCSA-N 449.357 1.321 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267871113 LQKRRQUYXYYGAX-LSDHHAIUSA-N 444.341 1.857 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 2269713490 QSGDVWMTWYNMMF-UHFFFAOYSA-N 447.341 1.713 30 10 IDEE CC(C)(C)OC(=O)N1CCN2CCOC[C@]2(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2272557318 ZPTYJLHABAGNAR-QFIPXVFZSA-N 449.357 1.059 30 10 IDEE Cn1nc(Br)c(Br)c1CNS(=O)(=O)N1CC[C@H](C#N)C1 2364447414 YCRIOKLBRWIKEV-SSDOTTSWSA-N 427.122 1.125 30 10 IDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OC)c(OC)cc21 13792074 HWNYFIJDKWUJKL-YSGBTYPNSA-N 437.543 1.452 30 10 IDEE C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 44361171 KQDACMNIISKKLU-RUWSDDDDSA-N 425.532 1.757 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCSCC3)ncn2)CC1 433603392 IXMDZNWCJMSHPL-UHFFFAOYSA-N 430.559 1.412 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 461323267 NVDIEHQVSMGQFI-OAHLLOKOSA-N 438.513 2.440 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1[N+](=O)[O-] 463344729 KENDYIPBOFFNAY-UHFFFAOYSA-N 443.485 1.436 30 10 IDEE Cn1ccnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)c1=O 466880081 GPSDILBYTGZRFH-UHFFFAOYSA-N 427.408 1.182 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(Cn4ccccc4=O)cc3)CC2)c1C#N 472107041 YLJKQQHPHOTYHC-UHFFFAOYSA-N 445.527 1.842 30 10 IDEE CC[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@]2(CCOC2)O1 478333901 DHWAWWMPEOULPU-KNQAVFIVSA-N 447.557 1.755 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccccc2CC)CC1 492304809 LRKORVZJBKJIDI-UHFFFAOYSA-N 428.562 1.368 30 10 IDEE N#C[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 499429772 GHQVFWBMWPGDNI-RDJZCZTQSA-N 435.322 1.311 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505022901 CTAKKFGJDFPDHE-UHFFFAOYSA-N 448.545 1.961 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 505382258 LSFKBNPTUYWKLT-QGZVFWFLSA-N 448.589 1.356 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C#N 505643427 ZUFNCVLFDSTLIX-UHFFFAOYSA-N 446.536 1.232 30 10 IDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1(C#N)CCN(C)CC1 531269454 ZCESIJHOLTXMBT-ZDUSSCGKSA-N 428.352 1.963 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)n1cnc(C#N)n1 539503007 FVRYLDMATALULO-LLVKDONJSA-N 443.316 1.551 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1C[C@@H]1CCCO1 541285184 HUUAPMJWNNZQDK-KRWDZBQOSA-N 434.521 1.195 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)CC2)n1 544835253 FSRIQPWRJAJYAN-QGZVFWFLSA-N 445.570 1.907 30 10 IDEE CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 552802675 DBBYNEWCQRRERK-FQEVSTJZSA-N 427.549 1.356 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)o1 553836716 NNRXIWOVTXRPDH-UHFFFAOYSA-N 449.432 1.865 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 555092081 DBEZXGGZBXPTPH-UHFFFAOYSA-N 444.479 1.758 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN(Cc4nccn4C)C3=O)CC2)c1C#N 577670626 YZDNXEYMPARBQO-MRXNPFEDSA-N 442.549 1.080 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(c3nc(O)n[nH]3)CC2)CC1 580797593 KWZVPJIHNBDZSI-GOSISDBHSA-N 427.484 1.238 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1C[C@H]1CCCO1 590913963 DSPQTTNVRYFYFA-MRXNPFEDSA-N 443.594 1.840 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)Cc1ccccc1 609091560 CHYQKJMFEDDHDE-LJQANCHMSA-N 443.525 1.949 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC([C@H]4CCOC4)C3)nnc12 684349543 HPVCEHZHIXLORR-AWEZNQCLSA-N 425.514 1.817 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCS(=O)(=O)C1 729331051 MHUNODLYCMEXEP-SFHVURJKSA-N 438.571 1.514 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 743728893 QVTPVAPYJXKJKC-AWEZNQCLSA-N 432.571 1.129 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C1 755549074 GTEHHMDNHTZSPW-ZBFHGGJFSA-N 428.493 1.496 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757448466 NBSYKZOZBDYTNI-FQEVSTJZSA-N 434.448 1.575 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758091938 YAQJOJRUBFFRHS-UHFFFAOYSA-N 436.489 1.195 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCOC1 763457539 DZBCRPUUNWWHQU-QGZVFWFLSA-N 449.532 1.679 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 768724097 GEWRTJUSMRMNSJ-MSUUIHNZSA-N 428.836 1.107 30 10 IDEE CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)ccc21 780207487 VLIYWCBYHWJHDV-FQEVSTJZSA-N 428.466 1.730 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 782211360 GTIFWFNMOYHHTF-UHFFFAOYSA-N 445.570 1.955 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnc2F)cn1 794441700 QCSKIVJUQANFOK-INIZCTEOSA-N 447.540 1.637 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796608872 SLJHNGFCDKSLRJ-HKUYNNGSSA-N 443.529 1.626 30 10 IDEE Cn1cc(-c2noc(C3CN(c4ccc(Br)cc4C#N)C3)n2)c(O)nc1=O 904838921 KTKIKYAGFVQZRG-UHFFFAOYSA-N 429.234 1.774 30 10 IDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCn1nc2ccccn2c1=O 914624998 HLCKMCZHKUXGMG-HSZRJFAPSA-N 447.451 1.204 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)s1 1141856352 WOHVHDFPWXAJRF-UHFFFAOYSA-N 435.575 1.699 30 10 IDEE C#CC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OC 1161357234 MLHMRVCQAGPYMR-MOPGFXCFSA-N 448.566 1.921 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)c(Br)cn3)CC2)C[C@@H](C)O1 1162132628 YHQAOQJYGSLZRR-CHWSQXEVSA-N 444.355 1.192 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1[C@@H](C(=O)OC)C1(F)F 1176390072 KBPFAJRAGAQENL-YDHLFZDLSA-N 443.472 1.454 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cnn(C)c1Br 1208375377 FJUUJJGVEMQDKZ-UHFFFAOYSA-N 426.340 1.807 30 10 IDEE CN1CCC(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)(N2CCOCC2)CC1 1251866221 PVZXDQVYHMDAQI-UHFFFAOYSA-N 429.565 1.513 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1286408667 FJEDAHPRNYUBNF-QGZVFWFLSA-N 444.536 1.138 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1286523226 RTPUZVWXNKABJU-FXAWDEMLSA-N 449.602 1.907 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286608609 SFOVRMJIDCKGFW-ZIAGYGMSSA-N 438.472 1.540 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286817766 XORSUSSLZIJQDS-LAUBAEHRSA-N 432.546 1.930 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1287543203 GTHIYBZZWNLWHY-MDZRGWNJSA-N 425.555 1.096 30 10 IDEE C[C@H](CC#N)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1290560666 KPZFHTLASGMMLA-CYBMUJFWSA-N 442.925 1.308 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1291175393 FVFFVILPUDUNTR-MRXNPFEDSA-N 433.534 1.636 30 10 IDEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)CCO2 1291325325 HZMNQLKHQBWAOW-VGOFRKELSA-N 427.505 1.600 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1291809330 BSFHDUNJLKBFNL-OAHLLOKOSA-N 430.534 1.356 30 10 IDEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1298024047 HGXYAELYFPSAKW-MOPGFXCFSA-N 428.562 1.780 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1299376190 DZFDSDQRZBJVRO-SFHVURJKSA-N 443.529 1.641 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1300411304 RYNRWSZLWHKOJA-LJQANCHMSA-N 435.594 1.142 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CCS(=O)(=O)CC1 1300446790 SZWQCDITRPLPPQ-UHFFFAOYSA-N 426.901 1.747 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1300495217 FNMIAAALPFRJGR-UTKZUKDTSA-N 433.578 1.114 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1300497190 XVANHNWFIBRGLE-ROUUACIJSA-N 432.521 1.791 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCSC1 1300618581 IUXDLWLJMSKUAS-IBGZPJMESA-N 434.591 1.566 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1300681019 JWPVYBRJEPJCCI-UHFFFAOYSA-N 433.557 1.038 30 10 IDEE C=C(Cl)Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1301060199 CHYWEWMFZIXULY-YJBOKZPZSA-N 447.989 1.448 30 10 IDEE CC(C)c1ccc(-n2cnnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1304001991 KSIFBTOLDROTON-JXFKEZNVSA-N 445.570 1.880 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3)c2CCC)CC1 1310531510 MJSQSPBJRQXTMI-UHFFFAOYSA-N 430.534 1.442 30 10 IDEE COc1ccccc1-c1nnc(N2CCCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1315605520 VHGIULHXGMBVIR-VZCXRCSSSA-N 438.488 1.707 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCNC(=O)C2CC2)c1 1358901343 HSHAKMJUNWMODQ-UHFFFAOYSA-N 443.511 1.923 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358924825 JZAFPZURZYWLDC-UHFFFAOYSA-N 438.532 1.941 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnnn1CC1CC1 1358989681 MMSSSQCRXJQRPJ-UHFFFAOYSA-N 446.515 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC[C@H]2CCOC2)CC1 1359045208 ZPDCXEWVIMWZTP-UYAOXDASSA-N 445.564 1.191 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC1 1359045890 XDTIIKAEPBHZSF-SFHVURJKSA-N 449.621 1.972 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1359258443 QROOYEXDGRTGAA-QZTJIDSGSA-N 429.546 1.857 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1359301306 WHQRAIGWSWSDSU-ZWKOTPCHSA-N 438.532 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1359333943 OVFNJMOUDHBRSP-QGZVFWFLSA-N 449.552 1.701 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2F)CCOC1 1360347972 QLBBJYZXLDLXOD-HRAATJIYSA-N 446.483 1.661 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1360468224 ZOCMNZASPJSBPM-DLBZAZTESA-N 426.525 1.653 30 10 IDEE COc1cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)sc1S(N)(=O)=O 1452690296 DXCCZIAOAXKRNP-UHFFFAOYSA-N 434.543 1.670 30 10 IDEE COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1455524720 CWAUEGRBUKHUAN-QKKBWIMNSA-N 432.498 1.729 30 10 IDEE O=C(CN1CCS(=O)(=O)CC1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456594864 UCEUPHXCVXIBLU-IUCAKERBSA-N 444.344 1.346 30 10 IDEE CC(C)Cn1[nH]c(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc1=O 1464103501 WHJCEUHABAOFPD-UHFFFAOYSA-N 439.495 1.903 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1 1464334836 OQHIQKOYCHOLFK-UHFFFAOYSA-N 441.509 1.182 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1CCOCC1 1465025034 VHURDQYLBXXSFC-HXUWFJFHSA-N 428.533 1.910 30 10 IDEE C=CCN(C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)[C@H]1CCS(=O)(=O)C1 1466039953 BFTCYRAPXNCPGJ-LSDHHAIUSA-N 430.552 1.067 30 10 IDEE CC(C)OC(=O)C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1471930324 CDFGBTFCCDNELX-GOSISDBHSA-N 426.473 1.953 30 10 IDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 1473650585 AICLJUTVCQDOHO-KRWDZBQOSA-N 428.493 1.186 30 10 IDEE N#CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1473889173 QUGNOXMPTXHYSC-LZLYRXPVSA-N 432.464 1.934 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1494658823 FZBZSTGCUSYYMW-UZUQRXQVSA-N 439.564 2.000 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1497108568 NWBNQVDUABQWTK-NRFANRHFSA-N 428.493 1.705 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[C@@H]1C 1504505568 WEWVYAGLFFPWQV-RRMPHLOHSA-N 445.545 1.228 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)C(=O)NCC2 1504940600 IBOAWPYKDVRLLJ-HOTGVXAUSA-N 426.521 1.932 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507636033 XMQOSWNJDYGYGH-NQIIRXRSSA-N 429.546 1.052 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1507660013 KPOXGVMKWKACOX-INIZCTEOSA-N 445.545 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cn2)CC1 1507733677 HTOMPYGYTSODIE-UHFFFAOYSA-N 439.495 1.062 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507739752 KGZUXQFQNKEKET-KRWDZBQOSA-N 433.578 1.021 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1C(C)(C)C 1508148224 GYHALKLGPUUWCF-UHFFFAOYSA-N 436.582 1.795 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(NC(=O)C(C)C)CC2)nnc1C(C)(C)C 1508148578 JHPNPFBBYOGQSK-UHFFFAOYSA-N 425.599 1.917 30 10 IDEE C=CCSCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1508167960 LSRYTDNRPWJRKK-UHFFFAOYSA-N 434.610 1.766 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1509552923 FTXHXFHUIVDLCO-FQEVSTJZSA-N 442.539 1.972 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)CCO1 1517548965 ZMFCNENBHZFLIM-QGZVFWFLSA-N 430.534 1.433 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1519048523 FKYZBBDFXSPSOV-RTBURBONSA-N 440.504 1.899 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1519180753 YWESXMRYEPGSIE-QVKFZJNVSA-N 430.509 1.411 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cc(C)oc1C 1519325399 FWKZAUJDUWLWMW-WWMYMODYSA-N 433.509 1.848 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(CN3CCNC3=O)cc2)ccc1F 1532230537 CMIDMJDNOSOZSC-UHFFFAOYSA-N 446.504 1.745 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539045188 QTPJDAPHNROEKW-HZPDHXFCSA-N 426.477 1.089 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1539053514 UDWNQXHEGZAARF-SJORKVTESA-N 433.582 1.809 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCNS(C)(=O)=O 1539153340 AMXZUYJNQUYBOU-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539212118 RVTBNWGZXJZLGG-ROUUACIJSA-N 429.546 1.926 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2cnn(C)c2)n1 1539424171 NANGCOKCAUPJGM-UHFFFAOYSA-N 433.520 1.548 30 10 IDEE N#CCNC(=O)CNC(=O)c1cc(I)ccc1N1CCCCC1 1539455389 AXSZQUKWWOOVQS-UHFFFAOYSA-N 426.258 1.651 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1540005712 NXBXVLACSIMQRN-KRWDZBQOSA-N 437.570 1.337 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(N)=O)nc2)C1 1540893926 NLUQDVANVNXLQN-KRWDZBQOSA-N 439.545 1.957 30 10 IDEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1545024302 MFKLTCJSUQYTNN-WGLILOHCSA-N 441.536 1.204 30 10 IDEE CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1554486999 FLFQJIFLIPZHTB-HXUWFJFHSA-N 431.500 1.850 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H](O)C2)C[C@H]1O 1554545187 JCVFOWKLLSRYFK-RSPOEFSDSA-N 439.516 1.728 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CCO2 1565340489 GJKVIRZSDPMZOF-JVVKFSLBSA-N 426.517 1.907 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(I)cc1O 1566445551 IBIWAVAYMLUGEZ-UHFFFAOYSA-N 425.230 1.879 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1 1570771292 CCLVDPNNABHZQP-RTWAWAEBSA-N 427.526 1.821 30 10 IDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1OCc1cscn1 1585132663 RTQLERAZPUOYSL-LIRRHRJNSA-N 433.511 1.741 30 10 IDEE C=CCn1cc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)nn1 1585550386 DKWOVYCFPYBCTI-LJQANCHMSA-N 431.518 1.526 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1 1587667341 HQQLAPCJIPIRRE-GFCCVEGCSA-N 431.298 1.649 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588073759 DHCOLJOWRLOPAC-IHRRRGAJSA-N 436.456 1.191 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1588139172 MWIHLHLRKDZZJU-SFHVURJKSA-N 426.542 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1588148930 AYRQWYLGRXDPDD-FQEVSTJZSA-N 441.543 1.837 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nnn(C)n1 1588162672 XDTWIQOPBYUWPA-UHFFFAOYSA-N 431.287 1.809 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(C)coc2C)CC1 1588961929 QCHQERWDEFKBBQ-UHFFFAOYSA-N 438.532 1.624 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594236978 LDQLRJDANCLKHC-INIZCTEOSA-N 436.538 1.292 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1594803271 QLJIWIJSLPPLET-LJQANCHMSA-N 426.525 1.682 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 1595050389 GEXJPMGKALXOGX-CRAIPNDOSA-N 426.496 1.867 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1595205313 RBNRDWODMKQVGX-UHFFFAOYSA-N 428.518 1.415 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1595760483 NKYCQDSMAOXTSA-HNNXBMFYSA-N 447.627 1.253 30 10 IDEE N#Cc1cc(NC(=O)CSc2ccc(S(N)(=O)=O)cc2)ccc1N1CCC(O)CC1 1595914523 WZUOBEOFQZHJGS-UHFFFAOYSA-N 446.554 1.898 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)Cc2ccccc2CC#N)C1 1597576474 JWTWVKCQGSIFEZ-GOSISDBHSA-N 435.546 1.836 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)OCCCO2 1611658248 AGRMCEZGMGMMIQ-CABCVRRESA-N 448.549 1.836 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@H](C)O1 1612977976 JXJXPFVKEYAMPR-HDICACEKSA-N 428.537 1.921 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613216986 QDSWJJSBWFKBCK-UFOSLELVSA-N 430.509 1.707 30 10 IDEE C=CCOc1c(Br)cc(CNC[C@@]23COCCN2C(=O)COC3)cc1OC 1621035252 LHZRMSKPLMTGCQ-IBGZPJMESA-N 441.322 1.740 30 10 IDEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1622819606 KJKCIGLGKTWGEH-INIZCTEOSA-N 438.550 1.059 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1623601713 ANLYGYDJAGMJIV-UHFFFAOYSA-N 428.533 1.688 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](C(=O)OC)C[C@@H]3C(=O)OC)n[nH]2)c1C 1623714564 KGEIFAOSQQFHEF-RHSMWYFYSA-N 429.477 1.643 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 1623784231 YPWCJYXRVZIPRZ-UHFFFAOYSA-N 437.474 1.915 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(C)c2I)n1 1627646345 NWRPYKQODDCOFI-UHFFFAOYSA-N 442.261 1.535 30 10 IDEE CCOc1cccc(CN(CCO)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 1629956339 OHCLQMZVJOMBMN-UHFFFAOYSA-N 431.514 1.830 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919237 WCISTBWHALMJTJ-DLBZAZTESA-N 436.472 1.477 30 10 IDEE O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)NC[C@H](O)C(F)(F)C(F)(F)F 1636669606 BIQIDKIZLZBWHK-VIFPVBQESA-N 433.236 1.708 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1638702975 FCWOLNTXRCSVII-CYBMUJFWSA-N 433.534 1.879 30 10 IDEE C#CC1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 1638866122 NTKQXBONRIZJCI-OAHLLOKOSA-N 445.463 1.490 30 10 IDEE N#C[C@@]12CN(C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1639174954 GYQATBGROFISDY-JXFKEZNVSA-N 445.522 1.498 30 10 IDEE C#CC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 1655172569 JSMJWUUVTJYHHQ-UHFFFAOYSA-N 435.546 1.268 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 1656214969 JMVPOERDXRGUQR-QZTJIDSGSA-N 441.575 1.274 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(Br)cccc1OC 1661543971 GZAFEJPDEQCLML-LBPRGKRZSA-N 438.365 1.963 30 10 IDEE CC(C)(C)Oc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1C#N 1661979661 GOVCXSUYBNJCDT-UHFFFAOYSA-N 432.506 1.997 30 10 IDEE CN(CCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)c1cccs1 1670753085 NVVGOIYCJXRPAG-MRXNPFEDSA-N 448.574 1.921 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C)s1 1689836094 YCVLLVCPWHGXRA-ZDUSSCGKSA-N 445.574 1.862 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1689852946 NAEMDNWDCVPOEI-HOTGVXAUSA-N 439.582 1.895 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](OC)[C@@H](C)CC)CC1 1690122528 UQEIOCSKOXHDJY-QFBILLFUSA-N 428.537 1.822 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1690124997 YKMSODSYLNYDEG-PMACEKPBSA-N 448.637 1.056 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCS(C)(=O)=O 1690284492 DBCLXTIGWAINDP-UHFFFAOYSA-N 440.595 1.685 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690310117 UNCOUHNUPGWJAD-QGZVFWFLSA-N 434.566 1.759 30 10 IDEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)NCC(F)F)o1 1693065727 YKRZCOAPDGFECC-UHFFFAOYSA-N 443.414 1.763 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1696592686 MFGRYGHORWTMSL-FQEVSTJZSA-N 435.532 1.372 30 10 IDEE COCCOC1(Cn2c(-c3cnccn3)nnc2N2CCC(C#N)CC2)CCOCC1 1698183021 VJOSQXULQHDWAY-UHFFFAOYSA-N 427.509 1.687 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCCCCO)cc1 1698488836 MTOAOGAAKPLXLD-GOSISDBHSA-N 439.520 1.495 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1705490114 CHISYNDJZASQCE-INIZCTEOSA-N 447.543 1.908 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1705533045 UHUFNYCBXZVGDZ-HUUCEWRRSA-N 436.538 1.711 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(CC)CC)N(C)C 1705551315 LMYWOZXNYFSQJP-QZTJIDSGSA-N 440.614 1.047 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705567947 DGMALMDAHZZZKZ-MSOLQXFVSA-N 430.578 1.813 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1705569859 HPTRYTQLWQYGTJ-QGZVFWFLSA-N 432.546 1.727 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1705641883 XYQUJWGROJKEOT-QHCPKHFHSA-N 449.647 1.845 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1705699673 KEPQBFGWAHWSNK-KPFFTGBYSA-N 433.553 1.972 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO 1705717465 KVBUTCDANMQBAE-MSOLQXFVSA-N 425.599 1.429 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1705932775 YYEDOADBLACXJL-SFHVURJKSA-N 440.529 1.994 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1706941949 FQLKIWLNDATUSV-AEFFLSMTSA-N 435.532 1.823 30 10 IDEE CCN1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1710260153 MYHVRXYJYWAXDX-CZIZESTLSA-N 427.509 1.131 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCCS2(=O)=O)CCOC1 1710456756 FZBKLLAEMPLEKK-ATZDWAIDSA-N 441.529 1.339 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1712317696 BBTKXHXJVHYAOH-QFIPXVFZSA-N 441.532 1.990 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCN2CCCCC2=O)cc1 1712880798 HGIYQTZETWYUIN-UHFFFAOYSA-N 426.546 1.788 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722369312 XMOSKNYWDUHOPS-UFYCRDLUSA-N 449.621 1.878 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1722413034 HVFKKASFQHSNGF-CYBMUJFWSA-N 437.488 1.659 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCCCC2)CC1 1722430171 ZQNQVYBYHSJRCV-FQEVSTJZSA-N 427.597 1.391 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC2CCOCC2)CC1 1722447728 OGBQSRLGLNMBMC-IBGZPJMESA-N 445.564 1.334 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722538201 VIMJDNRXBIGRLP-KZNAEPCWSA-N 440.566 1.157 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(C)=O 1722659448 WRPWDININFEZIF-IBGZPJMESA-N 431.562 1.899 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCN(C)C1 1722681671 PRDBDVCZMLROCC-UGKGYDQZSA-N 429.521 1.496 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccccn1 1722696682 CGIHFTLHAYYLLP-UHFFFAOYSA-N 444.499 1.526 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N2CCCNC2=O)CC1 1722701247 KMEFVSQUBFZSFW-UHFFFAOYSA-N 443.577 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC)c1 1722727557 PDMIYQKBYHNERC-KRWDZBQOSA-N 433.534 1.475 30 10 IDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)C1 1722737319 BAFIKHXDKMGBPE-UHFFFAOYSA-N 449.606 1.436 30 10 IDEE Cc1cccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1724507858 HUXRNGNGRSGIHW-WQXAEMSNSA-N 437.504 1.382 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1727478721 HMGLWIHZNWEFSQ-HNNXBMFYSA-N 426.525 1.036 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(N(C)C)cc2)CCOC1 1728819935 XXIDTDDIPMSCSK-NZQKXSOJSA-N 440.548 1.968 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1729352328 SYHLXQQEIOMULI-HNNXBMFYSA-N 425.461 1.722 30 10 IDEE COCCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1730913342 FVTZTCVRVPHKHB-QAPCUYQASA-N 429.518 1.065 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@@H]1C 1740537411 DAHZURALSUXXLJ-PXARDIRTSA-N 446.577 1.544 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1 1740540156 YEDQLBZKWOAEIL-CQSZACIVSA-N 426.550 1.786 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740592510 YTZVVNMNOWVLNP-MSOLQXFVSA-N 443.577 1.489 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740624874 BLAYSGITBBXZEB-MSOLQXFVSA-N 437.610 1.214 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1740625785 PKCNUYNJDNQMPE-RTBURBONSA-N 431.562 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1C 1740637745 COTQIRUFYBQRAM-UHFFFAOYSA-N 441.499 1.486 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1740652946 SPOYZRKSUIEHBW-UHFFFAOYSA-N 441.561 1.179 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740717768 AFLYIINWLPRHCZ-IRXDYDNUSA-N 443.577 1.546 30 10 IDEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740740547 FUBDJLHNXPYXPQ-HNNXBMFYSA-N 428.294 1.939 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740868368 JVKXNOGWMQDBOQ-RHSMWYFYSA-N 436.586 1.904 30 10 IDEE C=CCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1740949640 NVIYCOIZZLQRNG-OAQYLSRUSA-N 429.525 1.550 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741075814 XEAMDTPYINHGPY-HEWTWTGNSA-N 429.525 1.207 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1741132132 WZZOMJLEYXKYAV-ILXRZTDVSA-N 443.474 1.478 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748815356 PLQVTYCDXNROOG-QGZVFWFLSA-N 430.530 1.848 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1748840784 KBKUTPLSHMWGDK-UHFFFAOYSA-N 435.532 1.078 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(COC)CCC2)CC1 1748978824 PMWAENVXMOAUMJ-QHCPKHFHSA-N 431.581 1.892 30 10 IDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1749517999 WFYDLVNQBIZOGA-MRXNPFEDSA-N 441.623 1.706 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749649832 CIMSPJNUNBSRHW-BQFCYCMXSA-N 429.525 1.586 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749665778 CHCMBEFQKUJQBP-UHFFFAOYSA-N 438.536 1.289 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c(c1)OCCO2 1750007715 LJRJNJFJRUMDKN-FUHWJXTLSA-N 443.504 1.745 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1750069695 JNZWFBZXLDCZCU-YJBOKZPZSA-N 447.503 1.715 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)cs1 1751763484 NBHZVQZCIDALOI-XJKSGUPXSA-N 437.595 1.654 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760187975 MKBPSLINFFXOAO-ZWKOTPCHSA-N 436.578 1.494 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1760224530 NMRYQFAXLGUBFH-UHFFFAOYSA-N 437.548 1.225 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1760248374 KAHVQTBVLNCOCA-UHFFFAOYSA-N 435.488 1.206 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1760294622 BVUVTRNVYKELCD-DENIHFKCSA-N 443.573 1.960 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760348787 MILCNUXKPFGPDB-GOSISDBHSA-N 432.569 1.800 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760564485 AMPYZHIRWPZWSF-OAHLLOKOSA-N 442.611 1.009 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1760836385 TYQIYDHWQINSRY-LJQANCHMSA-N 448.535 1.635 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1766682071 DXINGTZSOXCCPK-GOSISDBHSA-N 430.534 1.356 30 10 IDEE CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCC1 1767193225 AJXUNXSVBMMHAL-INIZCTEOSA-N 434.566 1.227 30 10 IDEE CCNC(=O)N1CCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1767233510 ZPUHTQIKTIQCDO-UHHPSXQGSA-N 444.540 1.170 30 10 IDEE CCSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1768411589 WIDLIRWDNYBXOH-PBHICJAKSA-N 446.574 1.196 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCOC[C@@H]2CCOC2)cc1 1770732638 FTHQHIXNUCJYMW-SFHVURJKSA-N 438.532 1.962 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1771224023 ZVEITXZHEYFIRZ-AEFFLSMTSA-N 434.541 1.570 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CCO1 1771537245 KLUQSJRWLUWQEE-JKSUJKDBSA-N 434.447 1.988 30 10 IDEE C=CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cccc(F)c1)[C@@H]1CCN(C)C1=O 1849204245 RMUABXNCOHCBFL-QZTJIDSGSA-N 425.526 1.764 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1854459550 FJBHSSQRRJJEGF-GFCCVEGCSA-N 435.399 1.987 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)c1 1857326391 BACLVXCCJNICBQ-LJQANCHMSA-N 428.920 1.744 30 10 IDEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CSc1nnnn1C 1870289572 QDQAQIDIADSKSE-UHFFFAOYSA-N 440.529 1.588 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1879106851 MAGAYOFFKKUIQB-GOSISDBHSA-N 448.369 1.920 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1984992040 GESPQLOHFCASRR-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1987170680 VSLBBRANBHMNJX-AWEZNQCLSA-N 426.514 1.672 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624478 YMCLBFYHVPWCDB-WMLDXEAASA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2060624904 DFBYQTABFZLSJA-GJZGRUSLSA-N 437.346 1.807 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2076823092 YPPXCHZVWRFAHY-DJPPCKOQSA-N 440.346 1.460 30 10 IDEE C=C(CNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)B1OC(C)(C)C(C)(C)O1 2077060175 NYNVYIKFHHDUQT-INIZCTEOSA-N 439.362 1.956 30 10 IDEE CN(CCS(=O)(=O)N(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172786145 YEQLPYFUBOACBP-UHFFFAOYSA-N 448.192 1.471 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243415957 GGAMBICIATUKBE-CHWSQXEVSA-N 444.384 1.991 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255545429 PZIBRFFAHNESER-HUUCEWRRSA-N 434.346 1.895 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2255650300 YULCSQVKJNCCOC-ZFWWWQNUSA-N 434.346 1.847 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2255841477 CKMBRAREXKCPEE-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256911602 DLMIPAPFOZQMJX-INIZCTEOSA-N 428.298 1.024 30 10 IDEE C[C@H]1[C@H](C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267113637 WYCWDRUACWEGBM-KBPBESRZSA-N 449.361 1.584 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 2267188830 RDFOXRWVSNYYRS-HSZRJFAPSA-N 440.353 1.086 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)n1 2267505275 FYCSPFUPQLIIIE-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE C[C@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)C(F)(F)F 2267586480 KVWSHOOYQQNSES-WFASDCNBSA-N 441.259 1.910 30 10 IDEE C=CCO[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286016548 RHTDLBCBXZSJRK-ROUUACIJSA-N 440.518 1.451 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 2296616238 HEXGIFODQMCZAE-IBGZPJMESA-N 425.489 1.186 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2320448033 KZLFMPARPHKHLV-QGZVFWFLSA-N 427.310 1.473 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 12174435 VLLQYXRHVIIXOF-ZMKUFCSASA-N 428.681 1.666 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C(\C)c3ccccc3O)n2N)cc1 59829708 HAZJMCHRARZUAW-YDZHTSKRSA-N 441.517 1.951 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 62889327 WQJKKVJOFRXWEF-UHFFFAOYSA-N 441.488 1.971 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)CC1 105265331 ZNHSWHXIQJQPMB-UHFFFAOYSA-N 442.589 1.731 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)ccc1F 110278525 KBUSJSAKCGFVMS-OAHLLOKOSA-N 437.468 1.503 30 10 IDEE COc1ccc(C=N/N=c2\[nH]c3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C)cc1 263629800 ILKLWEBJEUZIGW-UHFFFAOYSA-N 436.447 1.498 30 10 IDEE COc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1S(=O)(=O)N1CCCC1 427329027 QNOAEGHENRMPAE-UHFFFAOYSA-N 436.515 1.856 30 10 IDEE COc1cc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1C#N 460606263 JKJXAJDXVNEAKA-UHFFFAOYSA-N 442.541 1.498 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cn1 462100067 ZRJAEVUCMJKBQV-KRWDZBQOSA-N 431.456 1.940 30 10 IDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473446486 CJMREYJXCZTSEJ-DOTOQJQBSA-N 433.873 1.917 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)cn1C 481819682 AZELWWUXQQBPBX-UHFFFAOYSA-N 441.473 1.568 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1 483579886 XSYYLOUEFPEQNF-RHSMWYFYSA-N 444.517 1.419 30 10 IDEE COc1cccc([C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 484817211 SSEIUTMFESBIFU-YWZLYKJASA-N 429.498 1.834 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)C4CCCCC4)CC3)n2)cc1 492418666 SJIPQOKWRNWROX-UHFFFAOYSA-N 449.515 1.388 30 10 IDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 505356218 SNIMRANDBUFTIW-QGZVFWFLSA-N 446.573 1.065 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2O)CC1 542569631 QQZWHUPLALSWQA-UHFFFAOYSA-N 427.461 1.001 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 549653970 GQPUWXZLJKJPDH-PBHICJAKSA-N 436.586 1.589 30 10 IDEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 585673622 LNYLPLNXQUESBI-CGYFSARPSA-N 433.468 1.409 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CCN1Cc1ccccc1 609627595 RMDOYEPKOTZJAA-QFIPXVFZSA-N 433.512 1.698 30 10 IDEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1C 623010653 QQNAKZKYXXJOKE-UHFFFAOYSA-N 437.565 1.796 30 10 IDEE C[C@H](CC(=O)N[C@H](Cc1ccccc1)CN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742567409 ORPWHBSUMWUPII-SJLPKXTDSA-N 428.558 1.793 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 747741797 LSJAHNYJKFRMTH-JOCHJYFZSA-N 443.503 1.882 30 10 IDEE C[C@H]1NC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)=NN(c2ccccc2)C1=O 749377847 LQXGQFPSIFVFTQ-RDTXWAMCSA-N 448.508 1.737 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3c(F)cc(C#N)cc3F)ncnc1-2 755333484 JLNRKIVSVXFGKK-UHFFFAOYSA-N 436.220 1.491 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@H]2CCCS2)C1=O 757369177 CYCWMBAWDJKMNX-OKMZTDLNSA-N 449.646 1.888 30 10 IDEE CC[C@H](CO)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 759634370 WCNNGKRVVXGAKO-AEFFLSMTSA-N 436.578 1.055 30 10 IDEE CCC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)C1 761850095 PMTXZEPQKHUPJR-QZTJIDSGSA-N 445.589 1.697 30 10 IDEE C#CCNS(=O)(=O)c1ccc(-c2nc(-c3ccc(OCC(=O)N(C)C)cc3)no2)cc1 761889426 XWQPUVGBAQHWKL-UHFFFAOYSA-N 440.481 1.782 30 10 IDEE COc1ccc(CCNC(C)=O)cc1S(=O)(=O)NC(=O)[C@@H](C)Oc1ccccc1C#N 767573993 LQBMHVRWUPIVTE-CQSZACIVSA-N 445.497 1.518 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)CC2)o1 769020945 AKNXZPFGEDZDCM-AWEZNQCLSA-N 449.508 1.740 30 10 IDEE CCSc1cccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1 769887621 XGXWBJIKCUPARF-UHFFFAOYSA-N 426.567 1.381 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1)c1cc[nH]n1 772281408 OQFXLXHGBGCHIV-IYBDPMFKSA-N 443.504 1.941 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 774261901 DFMXCDVQZUHVGB-XJKSGUPXSA-N 427.885 1.416 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2COC3(CCOCC3)O2)C1=O 776744125 RHRBLEYGGLCTAP-WBVHZDCISA-N 444.513 1.548 30 10 IDEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccn2)CC1 780177265 MJNOCGMGUMGHTC-YCRPNKLZSA-N 431.493 1.319 30 10 IDEE N#Cc1ccc(CNC(=O)COC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)cc1 780254280 CIZPZXRQUJCKOS-HSZRJFAPSA-N 437.452 1.803 30 10 IDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCC(=O)NC1(C#N)CCC1 784246470 LTWAHZBNHIBLOU-UHFFFAOYSA-N 429.292 1.880 30 10 IDEE COC(=O)c1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(Br)c1 785851698 GHYMLHQILQHJAG-WUKNDPDISA-N 436.262 1.768 30 10 IDEE CS(=O)(=O)N1CCC(CS(=O)(=O)Oc2ccc(Br)cc2C#N)CC1 790035958 GFJAUORFDKWDAH-UHFFFAOYSA-N 437.337 1.701 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCOC 790356815 QUPIXPGMELCMRX-INIZCTEOSA-N 436.537 1.860 30 10 IDEE CS(=O)(=O)c1csc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 790832895 LKYTYUVYRRAMQN-UHFFFAOYSA-N 449.329 1.904 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1CCOc1ccc(F)cc1 800382118 AYMLUEXEBZOEIU-UHFFFAOYSA-N 443.460 1.936 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 800787590 HUIWCDDQYSQXBG-KGLIPLIRSA-N 428.559 1.568 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 809220351 NYAXFDCNWKFMCA-KEYYUXOJSA-N 436.534 1.739 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCO1 812307112 BSERRVVAWZFIFN-BRWVUGGUSA-N 448.524 1.494 30 10 IDEE COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@H]1CCN(O)C1=O 820184807 FKQJGXXAWPRUQM-INIZCTEOSA-N 431.470 1.167 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)cc1 856698023 NJDSCMYETUYZPT-HXUWFJFHSA-N 434.518 1.306 30 10 IDEE COC(=O)C1=C(CN2CCN(c3ncccc3C#N)CC2)N(C)C(=O)N[C@H]1c1ccccc1 914583648 SPACRDZFYIPKOE-NRFANRHFSA-N 446.511 1.899 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@@H]1CCCO1 917768324 JVBQPMNRGUJYFI-AWEZNQCLSA-N 432.571 1.273 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccncc1 1084586660 FPUKZFXSKDQSBX-UHFFFAOYSA-N 440.489 1.725 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1139919007 AOIVJNJWYZSQNM-NRFANRHFSA-N 425.460 1.787 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1OC 1185751470 FMELLTIIUCQFIR-JTQLQIEISA-N 442.328 1.961 30 10 IDEE C[C@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CN(C)CCN1C 1256466403 RQQBJGLTSFKIMZ-MGPUTAFESA-N 442.543 1.331 30 10 IDEE N#C[C@H]1CN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CCN1Cc1ccccc1 1265115353 IJUHQFAKINOWBT-HKUYNNGSSA-N 444.582 1.824 30 10 IDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1286343680 LVSQHCXPOKFERU-IBGZPJMESA-N 446.577 1.630 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1286348917 BFCDCWQPOOWSAE-OALUTQOASA-N 428.581 1.765 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286355276 JOIRMOXDBNSZOJ-GOSISDBHSA-N 448.531 1.845 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1286369161 FXSIMSSKTZYNPP-HSZRJFAPSA-N 433.516 1.784 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1286483649 SCAYPNFRPOHEIY-UHFFFAOYSA-N 441.601 1.786 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCOCC1 1286515946 UGOVDVBSXCYFQH-WWPVKYPJSA-N 431.581 1.891 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286523979 BXFKOIBCTXCIJQ-WIYYLYMNSA-N 428.562 1.538 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1 1286793096 RJEWBDDYJSQSBO-AWEZNQCLSA-N 430.534 1.193 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1293783872 IXDQSCVHBKHEOL-MRXNPFEDSA-N 434.497 1.268 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1294820454 VYQJRKDHBLDVNN-LJQANCHMSA-N 435.532 1.838 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1297653567 IXIOYAADSGTCIO-IIBYNOLFSA-N 447.561 1.882 30 10 IDEE CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1298025578 FBEOGSCKNLIMAF-RCCFBDPRSA-N 427.484 1.400 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(=O)OC)s3)CC2)cc1 1298978700 PBFDAXMYZNTHNQ-UHFFFAOYSA-N 447.538 1.409 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)C1 1299074576 NOTPJWHTCAUOBQ-QGZVFWFLSA-N 435.488 1.962 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1300498171 IDSDHSGVCWPHMB-GOSISDBHSA-N 425.514 1.840 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(F)cc1 1300538363 OZBPXYUVXOUGMK-PKOBYXMFSA-N 430.505 1.780 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCc1ccc(S(N)(=O)=O)cc1 1300665098 XRWMHLYYKFZLKD-UHFFFAOYSA-N 428.518 1.249 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC[C@H]2C)CC1 1300685645 RITOIMPNGHUFLU-NFBKMPQASA-N 430.597 1.558 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1300726374 OBHCIRNSHYMQJA-WMZHIEFXSA-N 429.565 1.781 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1300823359 DTFVIQXOHJBUNX-GASCZTMLSA-N 443.390 1.870 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301113800 GTQYTJDFZMVBKX-IBGZPJMESA-N 437.953 1.946 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301511847 GLISSMPCVSTJIY-ZJYNUGOYSA-N 425.493 1.662 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302439462 HTEZSFHTNVMFJP-KIJUOZEOSA-N 448.549 1.085 30 10 IDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1=O 1307345572 GLQLNMUAHBUKFP-NRFANRHFSA-N 440.475 1.291 30 10 IDEE C=CCn1cc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn1 1312898119 IAYDNJCDULELAS-UHFFFAOYSA-N 444.970 1.785 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1313497043 CUJDXFJKPKNTNB-QGZVFWFLSA-N 440.504 1.644 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1314561851 CJICVFDBCRNYCU-UHFFFAOYSA-N 436.513 1.675 30 10 IDEE C#CCN(C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)[C@H]1CCS(=O)(=O)C1 1352905459 PFVRBDCTBSWEDG-ZDUSSCGKSA-N 427.548 1.739 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@H]1C 1358971691 FSFZSPQBHHBQAT-GOSISDBHSA-N 425.558 1.906 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1358992546 OVUJINUOQWMUGE-NRFANRHFSA-N 427.512 1.985 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1359023953 BMIVEDQKLJVOQZ-FQEVSTJZSA-N 431.581 1.903 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1359035585 YEBIJLGBRKENDJ-NJDAHSKKSA-N 430.597 1.427 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359037880 BBLZBABHZCXARO-HSZRJFAPSA-N 440.548 1.273 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(OC)CC2)CC1 1359044235 AHMQBQSLWOEJPI-KVZIAJEVSA-N 442.564 1.400 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNC(=O)C(C)C 1359103975 WFFDNEAUIFKGLC-XLIONFOSSA-N 432.569 1.590 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CO2)C1 1453256216 HSVPSNRTPFPOHZ-SJORKVTESA-N 440.500 1.806 30 10 IDEE COC(=O)C1CC2(C1)CN(C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]2C(=O)OC(C)(C)C 1460753990 MVPYEDNVXNPFHJ-QKBUSNMPSA-N 436.549 1.901 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC)c1cc[nH]n1 1464370956 DMONNYGWNLUORJ-UHFFFAOYSA-N 431.449 1.433 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1)c1cc[nH]n1 1465696253 BATNKRPIBCXYHK-CYBMUJFWSA-N 433.431 1.426 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 1466690681 RVLIPPJUUNODCY-STQMWFEESA-N 427.889 1.874 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)S(=O)(=O)c1c(F)cc(C#N)cc1F 1475382429 AARRFAFYWIOTAL-UHFFFAOYSA-N 449.432 1.322 30 10 IDEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1498881934 AFFAHQYFEVFAHP-NRFANRHFSA-N 427.530 1.555 30 10 IDEE CCOCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1503029617 HIBGNQRUNCLXBL-BSMWSGRKSA-N 431.541 1.260 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCOCC2)CC1 1504971401 BSYPFHQPSBKSDI-GHTZIAJQSA-N 432.569 1.997 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCOCCCO)CC2)nc1 1505319269 UOFLHXDKEUOSJF-IBGZPJMESA-N 441.536 1.512 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1507651241 INQOYXCACUAKKS-GOSISDBHSA-N 426.542 1.775 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507724097 GOFJLRVKFQXUOC-SFHVURJKSA-N 445.564 1.588 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)c2occc2C)CC1 1507732293 DWIGEBSEYQCNSM-GOSISDBHSA-N 426.521 1.606 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507751156 KTWMYLAIEYYZTJ-INIZCTEOSA-N 427.596 1.010 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507783441 CTOSOOKMQFGNPG-CHWSQXEVSA-N 446.371 1.051 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1508073764 MKCOPDQIERUMBL-UHFFFAOYSA-N 442.520 1.227 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)CCC(=O)NC 1508135479 MLDIACCURHZZLE-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508847169 CLQORJVWTDRWCD-VGSWGCGISA-N 438.536 1.229 30 10 IDEE Cc1cccc(O[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1510677680 DRFDDUNRTHKNAE-SOLBZPMBSA-N 448.549 1.393 30 10 IDEE CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cn1 1515776049 GIVIWUZNJMWOAJ-UHFFFAOYSA-N 435.492 1.216 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)C1 1517408215 CTNHOZAMBKRETR-QHCPKHFHSA-N 435.532 1.925 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1518657560 ICQGPMQGLGWNEP-UHFFFAOYSA-N 426.521 1.709 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1518849547 QBXZOAVBWIYCFO-GFGLJSBJSA-N 444.536 1.561 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)C[C@H]1OC 1519498860 GMZALCQJOPEBJX-HDICACEKSA-N 426.521 1.972 30 10 IDEE CCOC(=O)C1=CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1528798674 JXPLBKSBGBAKDW-SFHVURJKSA-N 431.514 1.727 30 10 IDEE C[C@@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 1529448658 MBMWKYHXYJCHJH-HOTGVXAUSA-N 436.534 1.787 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N2CCOCC2)CCSC1 1539026710 YUZJIYRYXZODBS-XMSQKQJNSA-N 443.621 1.806 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCC(=O)N(C)C)c1 1539039819 IVPYXIUKXWDXJK-UHFFFAOYSA-N 448.531 1.603 30 10 IDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539147422 HRRYUYCMHOCPAI-MSOLQXFVSA-N 428.537 1.740 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)C2CCCCC2)CC1 1539459340 DZLUKFWUTDLMBJ-HSZRJFAPSA-N 428.581 1.487 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)CC1 1539509849 AFEDZJTYIUXVCJ-UHFFFAOYSA-N 428.543 1.529 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1540874596 LYNYRMUXFPXYBS-HSZRJFAPSA-N 441.532 1.772 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2NC(=O)CC2(C)C)C1 1540896247 JCNMBUXTVFAHAY-DWRORGKVSA-N 433.553 1.698 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1540906950 HQLVGWSIANBTCE-JOCHJYFZSA-N 446.573 1.660 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1541993302 NAZZUNDTKXCDOU-IAGOWNOFSA-N 437.566 1.506 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)Cc1cc(C)no1 1545534690 PAVDOWSPXUFLHT-UHFFFAOYSA-N 446.485 1.164 30 10 IDEE CO[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CCOC1 1554709257 ACVMXDINZWNVMX-OAQYLSRUSA-N 425.493 1.861 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1555418838 DUWQSYKQKXDDDQ-WVBUVRCRSA-N 429.521 1.844 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(S(C)(=O)=O)CCC1 1555728288 OOLTVKYMFVBFQB-PMPSAXMXSA-N 425.555 1.565 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1556544255 XSUASABCFRUXKV-IBGZPJMESA-N 448.571 1.681 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F 1556782602 MOSRBLXSKXEWGN-HNNXBMFYSA-N 425.413 1.876 30 10 IDEE C=C(C)C[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1558130158 BPSDDFKKSVTVCS-JPMGXVIASA-N 429.517 1.914 30 10 IDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)CC1CCN(C)CC1 1560055907 RIUZUPKRIZIHPU-HXUWFJFHSA-N 433.622 1.747 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[C@H]1C(F)(F)F 1564723491 ABCJEFDLJODLCC-CHWSQXEVSA-N 445.446 1.884 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1585090692 NQTVNCQJUVICLA-UHFFFAOYSA-N 427.549 1.448 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1587989418 JEHLSCVZIJTOPQ-ZDUSSCGKSA-N 441.355 1.299 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2cncn2)nc1 1588078503 ICRFDQSQXDMXTR-UHFFFAOYSA-N 431.504 1.293 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588129193 ZUZSQAFOXUCTKE-FGZHOGPDSA-N 446.555 1.307 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1588560871 XIQVXJREEKPNBO-IBGZPJMESA-N 432.569 1.101 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(N(C)C)CCOCC2)CC1 1588800405 DXOPNKZTPNMCCO-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](COCCOC)C1 1589529958 QWLQKZKJJLZESE-DMUMMCEESA-N 433.553 1.700 30 10 IDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1593671572 MMDWYDYKKCNEJT-UHFFFAOYSA-N 444.511 1.746 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594455558 RNYHRIXELGTJTJ-GOSISDBHSA-N 446.596 1.901 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1594521495 PGAYDVPIKOCPJU-UHFFFAOYSA-N 438.598 1.475 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595569915 QXIBWXKUQUNCRS-HSZRJFAPSA-N 438.532 1.091 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1595797810 IREQXTQZTCCKDJ-IRXDYDNUSA-N 425.555 1.225 30 10 IDEE C[S@@](=O)CCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1618238861 CMWOBESWMPTQNE-AREMUKBSSA-N 439.379 1.280 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1619779017 AWVHAPMBHROSDC-UEXGIBASSA-N 429.477 1.078 30 10 IDEE COCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619852311 QAIZSQILYGZZGU-MRXNPFEDSA-N 429.550 1.483 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1620110826 CETXMYYIPRFQPY-FHWLQOOXSA-N 432.569 1.853 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2CC(=O)c2cccs2)cc1 1635085228 FIZWSZADEFMJNB-OAHLLOKOSA-N 433.511 1.398 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1635454017 ZXYJGZRLHQHKQF-DLBZAZTESA-N 432.525 1.728 30 10 IDEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)N1CC(F)(F)F 1636845005 YMGXBBGKYHAKPY-HZSPNIEDSA-N 432.468 1.709 30 10 IDEE C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1638203267 LQYDOEBQEFZNPD-JJXSEGSLSA-N 440.541 1.726 30 10 IDEE C#CC[C@H](CO)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1641745416 FUEAKSLAZCVIFZ-JKSUJKDBSA-N 430.530 1.045 30 10 IDEE N#Cc1ccccc1OC[C@H](O)CN1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1643086311 FMWLNBWGUNRBPX-LMMKCTJWSA-N 441.450 1.846 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1644587448 LQVMNNMVCCIVNU-MSOLQXFVSA-N 437.905 1.043 30 10 IDEE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1648001644 AGSUEOLCIHEFTP-QOQLHOOGSA-N 431.537 1.973 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1650819476 NZGWEHXOZAADFW-BPQIPLTHSA-N 448.545 1.741 30 10 IDEE CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1651069170 HRUMMSCXZPRWDM-LJQANCHMSA-N 429.498 1.469 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1655158295 WPYBWSLIESOELF-ZCNNSNEGSA-N 438.546 1.925 30 10 IDEE COc1ccc(C[C@H](CO)CNS(=O)(=O)N(C)C[C@H](C)C#N)cc1Br 1663387773 ABIVVFCUUMXOCF-OCCSQVGLSA-N 434.356 1.535 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cc1 1679943737 AUDVNMGFBOKNQS-DAYGRLMNSA-N 443.504 1.859 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)C[C@H]1CS(=O)(=O)C2 1683238649 ILWICAAOCUGYNY-WRSAYESZSA-N 426.901 1.638 30 10 IDEE N#CC1(CNC(=O)N[C@@H](CO)c2ccccc2I)CCOCC1 1687830378 XPJXGCZZIGKEAA-AWEZNQCLSA-N 429.258 1.944 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689988573 RUANKTDPGAMSJJ-RBUKOAKNSA-N 442.589 1.760 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1690077773 WKVYVMDHRQLYDP-MRXNPFEDSA-N 434.541 1.524 30 10 IDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1690339981 BGKZKJHEZYVWLV-KRWDZBQOSA-N 447.971 1.756 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(CC)CC)CC1 1690375973 ZCFRTOPZGOBFMF-SFHVURJKSA-N 440.614 1.499 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)CC1 1690411479 NBVJGUXVNRHBQB-SFHVURJKSA-N 429.546 1.730 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1690515607 PVVFVEZTUFJJDE-HKUYNNGSSA-N 448.593 1.584 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690666296 ZFEVHZSFUIHUOT-VLIAUNLRSA-N 432.912 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1690668998 PUIPNJGJCXKGBX-LHEBDHONSA-N 439.545 1.972 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1690675749 DLKPDMPNYLVCBD-NRFANRHFSA-N 447.923 1.808 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)N(C)C)C1 1690685086 VHDPKHKNPPLTSJ-INIZCTEOSA-N 427.509 1.575 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1691001340 HJLDIDQOJURRSK-INIZCTEOSA-N 436.520 1.790 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1693248495 GLLOBLZZBVULKG-IRXDYDNUSA-N 430.534 1.264 30 10 IDEE Cc1noc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)n1 1693538331 FWYUQZILLPMNBR-UHFFFAOYSA-N 441.517 1.622 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCCOC(F)F 1693747117 LWYSICAHGVEVKX-CABCVRRESA-N 448.478 1.788 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCCC1 1698255447 SGXPEDGSBKGMDR-IHPCNDPISA-N 432.569 1.995 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOC2CCOCC2)cc1 1698489713 ZYLNNHKGEKOIDT-UHFFFAOYSA-N 440.504 1.251 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCC2)C1 1705535004 YDORXDNMQVVWLX-QGZVFWFLSA-N 437.566 1.174 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705725912 XILQVRKFDXJWIT-ZACQAIPSSA-N 446.552 1.877 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2)CC1 1705769124 JHGYUCUJJUCCLZ-LJQANCHMSA-N 447.561 1.824 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1705859893 IFCTWWNZWKRILF-LJQANCHMSA-N 444.561 1.738 30 10 IDEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1708096631 DTZMMQBLCUITSI-QGZVFWFLSA-N 437.548 1.915 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1CCCCCO 1708153518 QNBNWRDQSMYNMP-KRWDZBQOSA-N 433.520 1.879 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(O)CCOC 1708522817 HGPLUKRUTIYPDA-KSFYIVLOSA-N 444.584 1.819 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1709937811 ADZASIHODIGXFF-INIZCTEOSA-N 426.506 1.007 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)C1 1710346888 NDRRGZUXYXSCFL-MOPGFXCFSA-N 442.545 1.680 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1711153134 JPJKMHOIACYOOY-UDJKBAMHSA-N 425.493 1.662 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1722284157 ZIFCJAGIIXIIBA-INIZCTEOSA-N 432.546 1.738 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722315382 ZIGLXTJDQKRSAS-NRFANRHFSA-N 444.543 1.887 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)oc2ccccc12 1722350843 FOMYGEDDNQAECF-IBGZPJMESA-N 443.529 1.783 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722362118 SHNZESUVKUZKKI-ZWKOTPCHSA-N 430.578 1.632 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722364480 HKBAAPFVXKUGKF-OALUTQOASA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722368007 OHEVPIFAHYZVAH-OTWHNJEPSA-N 437.610 1.877 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722384460 WFMKQLQFAQGHIG-HRAATJIYSA-N 446.960 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(C)n2)CC1 1722447483 IQPYVAIKJQHNHK-KRWDZBQOSA-N 441.561 1.203 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)C1 1722496072 IYEHAHUDIMGHCQ-FOIQADDNSA-N 427.505 1.880 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722629181 HLXZAFJDIJKQIG-PMACEKPBSA-N 446.596 1.508 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722725295 IKEJFTBLAYZVNQ-IRXDYDNUSA-N 432.502 1.968 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1722867286 FYMBKCITRWXURB-FUHWJXTLSA-N 444.561 1.435 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1727842867 IZPBGAFWNXVXBM-NZKCYVOASA-N 432.550 1.988 30 10 IDEE CCN1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1728599327 ULSJISGDZHJXLT-VXPUYCOJSA-N 443.552 1.452 30 10 IDEE COC[C@@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730498547 QOVVQSHFWUAXBH-HOCLYGCPSA-N 447.540 1.431 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1730763230 SOOKZGLHIVGMKP-SFHVURJKSA-N 440.504 1.689 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOCC2CCOCC2)c1 1731179575 VAFGXMWMCZEGFF-FQEVSTJZSA-N 438.532 1.962 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1731180382 DOMWBVAYCIMRGH-SFHVURJKSA-N 442.545 1.486 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740589930 CQAKGYJEOQTWGP-SFHVURJKSA-N 436.564 1.957 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740621541 NGARROKGXRGRID-MOPGFXCFSA-N 444.605 1.785 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccco1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1740625866 INVOPLPZTMCNJD-ZWKOTPCHSA-N 431.562 1.897 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC 1740637744 COGXHDKHVPNXMZ-UHFFFAOYSA-N 431.500 1.445 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(OCCO)c(OC)c1 1740653022 WNPLDPZEFKUQHI-UHFFFAOYSA-N 432.484 1.626 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(NC(C)=O)nc1 1740665538 GTDUOPOSXIMWHF-UHFFFAOYSA-N 442.487 1.782 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1740669002 ILWVFEVDSXTCHP-UHFFFAOYSA-N 436.516 1.582 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1740686389 RWKBJTYNSFTBCV-DNVCBOLYSA-N 438.575 1.235 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C[C@@H]1CCOC1)C1CC1 1740951075 BWOXZVYFROGWCW-HNNXBMFYSA-N 425.493 1.233 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740989294 HZRCNACLBHSCEO-SFHVURJKSA-N 444.561 1.586 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1745793652 APMDUENRATXEFA-INIZCTEOSA-N 428.493 1.607 30 10 IDEE CCN(CC1CCC1)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1746264197 LZFUZPGGIWHFAJ-HTXNQAPBSA-N 429.525 1.569 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748649503 OTCZBNPYYBGTSN-CVEARBPZSA-N 447.561 1.702 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1748864538 YUOSVCAQWZMWMB-UWJYYQICSA-N 435.594 1.683 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749043555 IVDDRPCMQJSRMD-CABCVRRESA-N 427.596 1.025 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1749226155 NXAKHKSPICBOKN-UHFFFAOYSA-N 432.481 1.487 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749450857 VXRYFNBMHQOCLE-VQTJNVASSA-N 446.596 1.654 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@@H](C)O1 1749546169 GGLWSVMYTBAIDS-YWMUFLPLSA-N 429.546 1.925 30 10 IDEE C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CCNS(C)(=O)=O 1749617717 JTMZRVWBUBPOQO-UHFFFAOYSA-N 444.355 1.888 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749670389 SNUKHXRZUHDSST-QGZVFWFLSA-N 445.593 1.561 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749676012 AVUJSTWVSBANBL-GOSISDBHSA-N 439.564 1.256 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCC[C@@H]21 1749735248 QIBPGGVMWDBYQF-OAGGEKHMSA-N 428.580 1.160 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCCO2 1750009890 ZEKPPVBTSBMCKR-WBVHZDCISA-N 429.477 1.550 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CC3CC3)n1CC(=O)NCC(F)(F)F)C2 1750382284 RBJXCFSECXLWDH-UHFFFAOYSA-N 435.410 1.444 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760227927 QBODOPPLLILXPT-QFBILLFUSA-N 445.486 1.653 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H]1C 1760245548 HOEZZJSXLGMFPY-GOSISDBHSA-N 435.536 1.491 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1760248606 OGYOUQWXFDGFFZ-GOSISDBHSA-N 434.504 1.457 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)c2ccccc2)CC1 1760259382 LNPSDRFHMJAMLY-HXUWFJFHSA-N 443.573 1.749 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1760268549 LPXJDVMOGWQASN-UHFFFAOYSA-N 436.516 1.034 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760442336 NHMABVYFIFFBMK-UHFFFAOYSA-N 442.568 1.680 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760528656 JLSZXZBTICFJGU-AXVVYFOYSA-N 444.580 1.746 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1760528750 LHJQIHQQYNIAPB-GCJKJVERSA-N 433.553 1.628 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCOC2)C1 1760547159 FSGTVFNNGUZGSD-VGSWGCGISA-N 430.505 1.798 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1761359794 ADRWPLNLBIPMJH-QRQCRPRQSA-N 437.504 1.736 30 10 IDEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)N(C)C)n1 1761946115 VWGSYFWICVHMHW-UHFFFAOYSA-N 432.488 1.662 30 10 IDEE CCc1nnc(N(C)Cc2ccc(C(=O)NC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1762865116 UZOMOJDICORWHM-XUTLUUPISA-N 437.504 1.363 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1766427884 FFESGRFVRMLLEA-LEWJYISDSA-N 440.548 1.834 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1OC 1851782246 AIQNSOBDEDRFGW-HNNXBMFYSA-N 436.472 1.067 30 10 IDEE COc1cc2nc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)cc(OC)c2cc1OC 1852481968 TUWLQHFEAFGGCX-UHFFFAOYSA-N 434.456 1.885 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(C)=NOCCCN1CCN(C)CC1 1853550782 CYDDWVYSPOWFEG-UHFFFAOYSA-N 426.539 1.047 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1 1855698065 KSYSIUGXPLBLRP-CRAIPNDOSA-N 436.509 1.199 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3F)C2)CC1=O 1856124206 VBSMRHKRVXMDKK-OAHLLOKOSA-N 427.473 1.365 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2247831728 CTGWCSVVKSBWRK-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE COC(=O)C1(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CN(C(=O)OC(C)(C)C)C1 2254635903 ZGITUOUNFIZKOI-UHFFFAOYSA-N 434.298 1.922 30 10 IDEE CCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608000 GMCOJKAVMVVPCI-ZDUSSCGKSA-N 437.350 1.538 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255610413 NNGMTWSIJPZWSW-UONOGXRCSA-N 434.346 1.847 30 10 IDEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2255681423 YYOAJRXYWIMSKY-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE Cc1c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255835738 YDPOIWIKUCBGED-ZDUSSCGKSA-N 436.318 1.308 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2256678969 IHEXCKNJXPKNFH-HRCADAONSA-N 436.314 1.141 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(CCNC(=O)OC(C)(C)C)C2)n1 2267113593 WFFPPCPQSRBIJH-UHFFFAOYSA-N 449.361 1.538 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267503689 HUBQPQDJZFPGQA-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE CN1CCC(N(Cc2ccccc2)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2267605964 ZCWPERDTYNHGKX-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE N#Cc1cccc(CCNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286035024 QSLXUEHXUVFUOH-SFHVURJKSA-N 431.470 1.400 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)NCC#Cc1ccccc1)NC(=O)OCc1ccccc1 2286038840 FBWDKQNCNXGQRQ-LJQANCHMSA-N 430.482 1.426 30 10 IDEE CO[C@H]1C(=O)N(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1c1ccncc1 2297646192 DUIJISXHLNBVNV-WOJBJXKFSA-N 426.498 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1cnn(Cc2ccccc2)c1 2337191594 BETVOBUSHIYIBN-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)N1CC(C#N)C1 2364441565 UWWQDQJSOBMJDW-UHFFFAOYSA-N 427.122 1.077 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 11399149 PTWSJVANQWTORY-FQEVSTJZSA-N 437.518 1.227 30 10 IDEE CNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCC(C(N)=O)(N2CCCCC2)CC1 14161193 OKYFKPHCDMOWGN-UHFFFAOYSA-N 432.598 1.171 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc(C#N)cc2)CC1 56936183 QNDSKIISQSSQCQ-IBGZPJMESA-N 427.530 1.694 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 111224640 UHAUOEABJWDAFQ-HXUWFJFHSA-N 434.562 1.322 30 10 IDEE C=CCn1c(=C2C(=O)NN=C2C)sc(=C2Sc3ccc(OC)cc3N2CC)c1=O 252669632 IENXRYYTBWQKQD-UHFFFAOYSA-N 428.539 1.459 30 10 IDEE CN(C)CC1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 441513551 IEEAAZNMJGEOFL-UHFFFAOYSA-N 433.578 1.695 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 460702673 CDXHAYRINLDDDV-YTQUADARSA-N 433.516 1.719 30 10 IDEE C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 465198657 XPANEAVVWUACTM-HZPDHXFCSA-N 442.545 1.439 30 10 IDEE Cc1nc(CN2CCN(CC#CCN3CCN(Cc4nc(C)c(C)o4)CC3)CC2)oc1C 472604933 PZVQVYGNZVJZMB-UHFFFAOYSA-N 440.592 1.835 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2=O)c1 481279349 ULZLWUCWAZKKRC-ZBFHGGJFSA-N 442.497 1.155 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOc1ccccc1 508912840 MGNVMTSMLCPODC-SFHVURJKSA-N 435.550 1.702 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1 522684228 VGOITXJSGMJEIO-MRXNPFEDSA-N 437.491 1.496 30 10 IDEE N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 557862395 FEXHWLXKLZMHNB-AWEZNQCLSA-N 425.919 1.953 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc3cc(C(=O)OCC)ccc3n2CC)c1=O 576734402 FUQDUKBIGIHSAE-UHFFFAOYSA-N 439.472 1.138 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@H](CC)C(=O)OCCOCC)nc1C 586301975 GDFZATMVRLKRTM-JYCIKRDWSA-N 446.547 1.840 30 10 IDEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)Nc2ccccc2C(N)=O)sc2c1CCCC2 586345574 ULYWBHDSWPTYQS-SSEXGKCCSA-N 444.538 1.923 30 10 IDEE C#CCN(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCS(=O)(=O)C1 731213252 YZCSFJGDCUMTRD-SFHVURJKSA-N 443.491 1.476 30 10 IDEE C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 735074004 VNQKBMFUQZJUQC-INIZCTEOSA-N 428.628 1.209 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)/C=C\c2ccccc2Br)CC1 735921291 FCIKWUKPIXZXRH-ZSOIEALJSA-N 440.363 1.507 30 10 IDEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 745812664 BVYQLCWPKMHQNV-SGRLSNSRSA-N 426.521 1.023 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)CCN1C1CC1 746036665 DPTPLKRLQPOOJK-OAHLLOKOSA-N 440.895 1.330 30 10 IDEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1C#N 746877145 IPUZNQHJTFMGTH-GOSISDBHSA-N 429.498 1.954 30 10 IDEE N#Cc1c(NCc2ccccc2CS(=O)(=O)N2CCCC2)cccc1S(N)(=O)=O 755027549 SXHQPFHXQANMIK-UHFFFAOYSA-N 434.543 1.743 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O 757459693 XPHJOQAJGRBXQX-STQMWFEESA-N 432.502 1.418 30 10 IDEE COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 764527548 HCFACXGVNQTXNT-MRXNPFEDSA-N 428.514 1.582 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(Cc3ccon3)c2=O)cn1 765146881 XZBPBAQMQUIJQQ-UHFFFAOYSA-N 425.514 1.671 30 10 IDEE CC1C[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 775849039 HSELKLFXBCFIDK-CZYKHXBRSA-N 438.576 1.046 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)/C=C/c4ccccc4C#N)CC3)C2=O)n(C)n1 780561004 KEQKQJPBWJPLSU-GLCJEOIMSA-N 432.528 1.953 30 10 IDEE O=C(C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCn2ccnn2)C1=O)NC1CC1 784124683 APWUOLGPECWPCA-KRWDZBQOSA-N 442.501 1.697 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 789245034 KWHBNURDZDHYKE-HSZRJFAPSA-N 439.560 1.965 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cc1 808113295 DFOYORIHWYUIMB-HNNXBMFYSA-N 445.497 1.975 30 10 IDEE C#CCSCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 809688917 RMHHIHOFSXABQU-UHFFFAOYSA-N 425.576 1.118 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cscc3C#N)CC2)cc1 814611448 PKDAHUDVSZMXGD-UHFFFAOYSA-N 449.510 1.318 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Br)cn(C4CC4)c3=O)CC2)c1C#N 1128138000 AXDSGCZMEQZJKN-UHFFFAOYSA-N 445.321 1.822 30 10 IDEE Nc1c(I)cccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1136672070 APIQUZMWFFGQTH-SQFISAMPSA-N 426.214 1.130 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)C1 1138108716 SZFKPAAYTXOZFP-DLBZAZTESA-N 444.488 1.245 30 10 IDEE CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1151224303 HPFWJUKFPWQQHP-KRWDZBQOSA-N 425.493 1.580 30 10 IDEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)c1 1156620163 BBCMEFUMRONQJT-CQSZACIVSA-N 432.889 1.978 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1162046099 KKAFOMARSDAVJV-VCHHOEMESA-N 434.415 1.865 30 10 IDEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1178164382 RVZGLSYOLVPIFP-AWEZNQCLSA-N 445.501 1.296 30 10 IDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1179423158 OKZRKPKXFOOOSY-UHFFFAOYSA-N 449.573 1.703 30 10 IDEE CCn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnc1-c1ccccc1C 1179650782 IKPDPAZPATUUBU-MGPUTAFESA-N 445.570 1.762 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCN1CCCS1(=O)=O 1286303178 AQSWMXDAAKVMKQ-KRWDZBQOSA-N 431.562 1.913 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1286352880 OXCJARWFVVLYFD-GOSISDBHSA-N 431.518 1.286 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CCCS2)CC1 1286485012 AGNLZBQZWNHDKD-JOCHJYFZSA-N 444.605 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NCCC)CC1 1286491213 IUDBSZDWWHZXNR-UHFFFAOYSA-N 437.548 1.146 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1scnc1C 1286496845 WUMZUAIIXAHHEF-ZDUSSCGKSA-N 428.609 1.656 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1286687962 OCYUTILGNPDGAW-QGZVFWFLSA-N 431.566 1.653 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N2CCOCC2)C1 1286813499 VZVICYXCPXZNKC-WOJBJXKFSA-N 429.569 1.642 30 10 IDEE C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1289584130 XLMCHBYBTVDHTB-DBWCEAHUSA-N 437.514 1.889 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291616717 JPOUYXFGUSKVTO-YGCDDZCOSA-N 427.553 1.993 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1300304521 SLVSVXRTISLOBW-PZJWPPBQSA-N 435.576 1.899 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300497623 BOKGVUAASYBDIF-AABGKKOBSA-N 443.573 1.442 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1300504931 WGUFPEMYDFNLQE-QGZVFWFLSA-N 430.530 1.902 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300540674 AOLAUKFOQBKEHY-FQEVSTJZSA-N 430.487 1.820 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N(C)C 1300565691 UQPQHNYYIWARKN-UHFFFAOYSA-N 449.964 1.961 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC1(F)F 1300654344 WYNWKYXFDXEUSF-HUUCEWRRSA-N 433.525 1.800 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1 1300672016 SRLFQTNGISVYIT-SFHVURJKSA-N 432.546 1.654 30 10 IDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCCOC)CC1 1300956208 RVZCZGXAQZMJJY-UHFFFAOYSA-N 448.518 1.608 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1300991618 VXZKUKFFBJJDEE-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301589845 YNLPPZKULQPKBW-QKLQHJQFSA-N 440.566 1.157 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1301617624 GHTWTQRKKSGOEG-MRXNPFEDSA-N 432.594 1.815 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1301818129 JQDCIIRUKPMUGI-IBGZPJMESA-N 447.499 1.831 30 10 IDEE Cc1ccc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(=O)n1C 1312639397 FWSJFNUTVZOFFV-UHFFFAOYSA-N 431.500 1.987 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1314708194 LFEGVHVTZCFGSZ-JOCHJYFZSA-N 442.520 1.231 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315694544 GIJRPGQCHBXXBK-ZJYNUGOYSA-N 425.493 1.425 30 10 IDEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 1319235958 DTUCBWDXZHSTMZ-HNNXBMFYSA-N 436.559 1.747 30 10 IDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358951205 NAIDCVIWWWQDPI-MRXNPFEDSA-N 426.546 1.701 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)NCCC)CC1 1359039102 WYQYKTFENZSNGX-UHFFFAOYSA-N 428.512 1.668 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359055681 MFKFHKVSJIKQFY-ZWKOTPCHSA-N 432.594 1.144 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nccnc2C)CC1 1359297474 RNBQIUYDERTYAI-UHFFFAOYSA-N 448.531 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OCC)CC1 1359336455 QKCQRGBWAUSHLT-OAHLLOKOSA-N 427.527 1.009 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1359357868 OPNMWPJSKLLXPI-WZONZLPQSA-N 435.532 1.600 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1360471361 GPXDASGFCCIPHS-IWAYBZMOSA-N 439.549 1.960 30 10 IDEE C#CC[C@]1(C(=O)N[C@H](CO)C(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1447200993 CENYVLCDTUGFTG-WZONZLPQSA-N 430.501 2.000 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1459929971 GHGQWEOTDAYJNN-QFIPXVFZSA-N 448.571 1.852 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1468438984 FALJFFMAVCQFMU-CVEARBPZSA-N 445.520 1.706 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2coc(-c3ccc(Br)cc3)n2)c(=O)n1CCO 1473079409 SAYFFVWABANGSV-UHFFFAOYSA-N 431.246 1.648 30 10 IDEE N#Cc1ccc(C2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1473838581 HQXRXJWNKGYGEE-UHFFFAOYSA-N 426.542 1.744 30 10 IDEE COc1ccc(NC(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)N1CCOCC1 1475853464 CEWLXUPCKZLAJS-UHFFFAOYSA-N 438.506 1.158 30 10 IDEE C#CCOCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1478295767 VXLUFQURKGSEKZ-CQSZACIVSA-N 427.242 1.124 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(=O)N1CCCCc2ccccc21 1479463345 LPNDGGTWEPYKOL-KRWDZBQOSA-N 433.516 1.938 30 10 IDEE Cc1nnc(N2CCC(OC[C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492821823 WOWOOLRUCMCYST-JVMRMLDLSA-N 430.509 1.135 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@@H]1C 1503889982 CQNSQUNKGSBOJJ-HNNXBMFYSA-N 437.504 1.620 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)ccc1OC(C)C 1504081296 SLANBLFNCYNKJG-SJORKVTESA-N 440.504 1.748 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(O)CCOCC2)c1 1507549796 OYSHKCJOZQBNRK-UHFFFAOYSA-N 448.527 1.881 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1507631351 OUDKJMUJLCSLLT-UTKZUKDTSA-N 445.545 1.081 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1507662273 PMNSPVPGHDJBID-LJQANCHMSA-N 432.322 1.660 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CC1 1507665331 VSFXNZNMSBCFFU-HKBQPEDESA-N 434.529 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C)c2)CC1 1507739891 GONXBUWTBKVUPR-UHFFFAOYSA-N 434.544 1.723 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C2CCC3(CC2)OCCO3)nnc1[C@@]1(OCC)CCOC1 1508092753 GNMWNOAYKXVQOP-OAQYLSRUSA-N 449.552 1.354 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(F)(F)Br 1510190976 KCBPBENUFXPXGZ-KCJUWKMLSA-N 445.265 1.318 30 10 IDEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1516157747 ZKBIKKJIJSIVKT-MBSDFSHPSA-N 427.501 1.896 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCc2ccccc21 1519167439 CMUBESLQHQUYDP-HSZRJFAPSA-N 438.532 1.601 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1519447301 CVMBNMFWVDUPMF-XWSJACJDSA-N 435.525 1.174 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CCOCCCO)c1 1521075572 OEULPDXLEJDIGI-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1521128680 GQASXKOSDRRXJR-HOTGVXAUSA-N 443.895 1.239 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 1536289610 GGHKHEBYKSHSFT-UHFFFAOYSA-N 426.477 1.808 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1539031932 SBRWWOHILXRTRV-BBRMVZONSA-N 430.896 1.957 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539210827 GQQQIDYFZPKRJS-CMKODMSKSA-N 443.573 1.892 30 10 IDEE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)N(C)C)cc1 1539236559 VELSOLHERCRFBS-OAQYLSRUSA-N 443.573 1.977 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1539295436 AGLYFLYROIXURW-LAUBAEHRSA-N 429.546 1.259 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1539468689 HLLXIWOHBPCEGI-KRWDZBQOSA-N 437.548 1.221 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(COCCOC)cc2)CC1 1539470114 YDTYCSAPRKIPSL-UHFFFAOYSA-N 425.533 1.764 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1539516799 DEWPZNXBXHHCCU-HNNXBMFYSA-N 447.590 1.855 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1539520140 OFEQROPMDXZLEH-UHFFFAOYSA-N 428.562 1.705 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539734984 HEDCXIZDMVBQER-LJQANCHMSA-N 444.561 1.927 30 10 IDEE C=CCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540020938 NQLVUKBLLKIEIB-FQEVSTJZSA-N 441.598 1.803 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1540073927 UUVYTODUMBGBGO-CQSZACIVSA-N 426.568 1.355 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1540857438 XNCROOOHRVEPIU-ABHNRTSZSA-N 429.569 1.232 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1540870592 QUJKFDZAVBOTBU-WBVHZDCISA-N 444.540 1.397 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 1540876414 QFLONYCUHSPKRX-CVEARBPZSA-N 434.541 1.877 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCOCCN(C)C)CC2)c1C#N 1543001093 BXIDKWWAXKFOKS-UHFFFAOYSA-N 429.573 1.220 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H](O)C2)C[C@H]1O 1554545188 JCVFOWKLLSRYFK-VBSBHUPXSA-N 439.516 1.728 30 10 IDEE N#Cc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C(F)(F)F)c1 1558063528 QGJLXXJQOUQSBD-FMKPAKJESA-N 429.420 1.313 30 10 IDEE C=C(C)C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C(=O)OCC 1559268502 IDYFARSQAFMVAB-QGZVFWFLSA-N 440.522 1.841 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1560175212 JKRSCORAHNZIAI-KRWDZBQOSA-N 428.489 1.839 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1=O 1561513765 REOLPMLAULMSRZ-KRWDZBQOSA-N 433.530 1.357 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2cnc(Br)cn2)[C@H](C#N)C1 1564531578 VAXVEEJJWAGAPZ-ZYHUDNBSSA-N 425.287 1.797 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(CC(N)=O)CC1 1566307637 WKJJLJLUYQIOJE-LJQANCHMSA-N 427.505 1.022 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 1566409414 DAKWOOZSHJQZDM-INIZCTEOSA-N 443.552 1.374 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1588064836 QBNPJPULOXXMML-HXUWFJFHSA-N 436.541 1.528 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1588082816 ADSKFAKBNNQGFQ-KRWDZBQOSA-N 443.573 1.948 30 10 IDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1588301929 GZVRDJXMBXMXCB-UHFFFAOYSA-N 441.557 1.836 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1589198641 YZXUEXILXAHZHU-QFBILLFUSA-N 435.454 1.990 30 10 IDEE C=CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594504616 YPCIWXHOCMOCPF-SFHVURJKSA-N 440.523 1.757 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC(C)(C)OC(C)(C)C1 1595536680 FHRIITJLSFVAQZ-UHFFFAOYSA-N 430.509 1.702 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595577364 QOGISTFBICCDOX-KRWDZBQOSA-N 439.520 1.024 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cc(C)on1 1595823241 MGDVZQJVSLEYKW-UHFFFAOYSA-N 433.538 1.673 30 10 IDEE CCOCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1617046362 KTZPIAYKJMZZOZ-GOSISDBHSA-N 429.569 1.800 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1620510771 GUGJRAWDNMAIFA-INIZCTEOSA-N 427.505 1.745 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)c1 1624758404 RNEQOUNAEAKNOF-UHFFFAOYSA-N 442.493 1.568 30 10 IDEE CN1CCN(c2ccccc2CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1628685569 BUOPGUMYUOASPR-UHFFFAOYSA-N 430.505 1.805 30 10 IDEE C#CC[C@@H](NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)OC 1629617574 TYJAYBMCXIMTDT-QGZVFWFLSA-N 432.523 1.790 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC[C@H](O)C(F)(F)C(F)(F)F 1633146484 YNUIRSKJJINQKM-JTQLQIEISA-N 426.310 1.308 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1636452689 GQZUJVNBSQYILY-UZUQRXQVSA-N 442.516 1.789 30 10 IDEE CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C1 1639822158 UFBAHMNFKPRTGK-YCRPNKLZSA-N 431.514 1.948 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2=C(CCC(=O)N2)C1 1641337504 RAMRLNMPPAGVHF-QGZVFWFLSA-N 430.530 1.536 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)n1C1CC1 1641346918 FKTNTWCCKACHSN-UHFFFAOYSA-N 435.484 1.836 30 10 IDEE O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)N[C@@H]1CCCN(O)C1=O 1641521797 SMMKLZRWTVBJPO-MRXNPFEDSA-N 443.317 1.202 30 10 IDEE CCOC(=O)[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(Br)c(Cl)c1 1645168139 VDLVOKWPSOUJAF-AWEZNQCLSA-N 426.658 1.986 30 10 IDEE COCc1ncc2c(n1)CCN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)C2 1648003782 CKPOAWHOQDATHY-OAQYLSRUSA-N 438.507 1.529 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)C1=O 1649182472 LIYVALNHHVWLFU-UHFFFAOYSA-N 425.401 1.072 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)C1 1682563794 WRPQLZOYACTCDN-QFIPXVFZSA-N 439.604 1.755 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CO1 1686342027 VYGLKOUQMUIWMD-SJORKVTESA-N 429.477 1.509 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1689928538 QFFZNYJDEBRHID-CVEARBPZSA-N 426.525 1.471 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1689948804 GRODOQQXAVROFX-JTSKRJEESA-N 440.552 1.500 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1689980875 YSNSTDLPTVJXDX-MRXNPFEDSA-N 433.534 1.489 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689982915 XCHHINBCFQBHSC-NRFANRHFSA-N 443.573 1.094 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1690013475 PXDQUCDNEYXBGW-QHCPKHFHSA-N 448.552 1.616 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COCC 1690019226 DFZRRALMYYMJSW-FQEVSTJZSA-N 426.542 1.838 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cnn(C)c1 1690030164 PHMFIPRHBPYMRR-ZVDOUQERSA-N 437.548 1.477 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1690077066 HYUZQHCSAHBEDA-FUHIMQAGSA-N 439.582 1.418 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1690077442 OODJCSYOBVJCNI-VGSWGCGISA-N 449.552 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 1690139997 HUOLOMHRVSRCOP-QFIPXVFZSA-N 443.548 1.918 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1 1690170948 RYOIFKGFIXLGSQ-QGZVFWFLSA-N 430.603 1.979 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1690235918 GFVOJOWLYHCNIB-IKGGRYGDSA-N 441.598 1.657 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690247470 BGMNJQJHMJNYBZ-POAQFYNOSA-N 431.562 1.868 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](CC)C1 1690668649 DBHYDISRDVPIFR-OAHLLOKOSA-N 447.565 1.156 30 10 IDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690749072 QENFOFMYYJCWDL-QGZVFWFLSA-N 441.561 1.656 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1690858807 CINJZONXANYUJY-UHFFFAOYSA-N 439.520 1.312 30 10 IDEE CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691523324 VBVLLXPLEVOJHI-UHFFFAOYSA-N 446.515 1.571 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1692747362 BZHATSBATWKYJH-ZBFHGGJFSA-N 430.513 1.568 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1693247893 BLYOKXDWIJZGHI-SJORKVTESA-N 430.534 1.406 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1694355449 UUROHDAGCKBNOZ-NVXWUHKLSA-N 426.525 1.384 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1695437736 DAUDDVYNOSDBND-IBGZPJMESA-N 437.548 1.501 30 10 IDEE CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1695523541 LDLNVBARTDBJSU-CQSZACIVSA-N 432.506 1.040 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)(F)F)CC1=O 1696882527 NTDAEPVKVLETRW-UHFFFAOYSA-N 438.410 1.934 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)cc1 1697493080 GGHJJHAWCWYUIQ-PMACEKPBSA-N 426.521 1.935 30 10 IDEE COCCN1C[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C#N)CC2)CC1=O 1698077997 FJVYXMLMXWIOQZ-LJQANCHMSA-N 440.552 1.375 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)C[C@H]1OC 1698288446 LSAPJZJWIPUHSN-BGYRXZFFSA-N 438.532 1.973 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2CCOC[C@@H]2C1 1705525680 REILYCLNPXFGJX-INIZCTEOSA-N 433.354 1.980 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705564079 KXFIXWVBFWHAFN-GOSISDBHSA-N 430.530 1.113 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1705590190 DUYMDUGLHWIFFF-QFIPXVFZSA-N 431.537 1.918 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CN2CCCC2)CC1 1705641799 UQOAGWGOLCEGIA-UHFFFAOYSA-N 427.597 1.278 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1705730595 LZZDETRDHRRJSU-MSOLQXFVSA-N 440.614 1.546 30 10 IDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1705830122 JPMGJHUTNPAKDU-IBGZPJMESA-N 442.520 1.845 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2nccnc2C)CC1 1705907671 TUUPHCXSWDFFNK-UHFFFAOYSA-N 446.559 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705932445 DNARZKVBBSGGQL-SJLPKXTDSA-N 429.546 1.569 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706649902 YAZFFILPYLFMSO-UHFFFAOYSA-N 432.488 1.323 30 10 IDEE Cc1ccccc1OCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1707682316 XIENRPOAOYGREE-MSOLQXFVSA-N 445.545 1.687 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3(C(=O)N(C)C)CCCC3)CC2)c1C#N 1707807620 HMSKEMXPUZOJBI-UHFFFAOYSA-N 439.568 1.475 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1 1710856610 AUWQPYZFQSKAIA-OAHLLOKOSA-N 428.522 1.368 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1712094102 APBRKAWCTPLMMG-LEWJYISDSA-N 440.548 1.637 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1722282276 MNVMPNSPYCUVCH-INIZCTEOSA-N 433.520 1.685 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1S(=O)(=O)N(C)C 1722342291 WCOLKDUDUGBMTB-UHFFFAOYSA-N 446.577 1.565 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1722357773 AGRJMKVQHGJHIS-QFBILLFUSA-N 425.624 1.466 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722359482 TUMLUAHQFKTNAN-LJQANCHMSA-N 443.573 1.594 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1722436981 HZLUNHUOHQYCMN-GOSISDBHSA-N 432.569 1.794 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[S@@](=O)CC)CC1 1722441561 SQRHHIIKGYGIID-PMERELPUSA-N 429.590 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNC(C)=O)CC1 1722444170 VETQYKIFVFFCCI-UHFFFAOYSA-N 438.532 1.446 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1722517347 JWFJVUQDZQTFMJ-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1722692439 MBNVAWJSUXEXBA-ROUUACIJSA-N 430.553 1.459 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722697553 LTOYZGCAFIPNSR-LBPRGKRZSA-N 425.415 1.080 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728175363 LBOBNNGKPAFKPU-ZJYNUGOYSA-N 429.525 1.110 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1730997770 FOYUIBCXJRFXEY-JKSUJKDBSA-N 437.472 1.864 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740823315 AWJMAOZKTYGTLL-QZTJIDSGSA-N 429.569 1.328 30 10 IDEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740886383 FQSORNFPKCPOKZ-UHFFFAOYSA-N 446.596 1.777 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1740897771 SZFPSFOLDCVBNR-AWEZNQCLSA-N 428.518 1.249 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1740956408 LJXIUUDRYZGYBR-ZDUSSCGKSA-N 433.896 1.909 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cnn(C)c2)CC1 1740962907 SBHUVNDORMQXNR-UHFFFAOYSA-N 426.550 1.293 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC(N)=O)CC2)cc1 1740965636 DAAUGRJZXYBBEV-LJQANCHMSA-N 438.532 1.934 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1741634517 BIAPMMUFPISUFL-SJORKVTESA-N 440.552 1.823 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1741904681 BYLCVROZNNZWJX-XOBRGWDASA-N 432.550 1.557 30 10 IDEE CCSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1747514888 LYRVTQBGNDWMQR-MRXNPFEDSA-N 442.611 1.494 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1748344169 BKJQXGFFGHBVIX-KRWDZBQOSA-N 439.520 1.426 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1748750953 ABBWEERXROHZFE-YMGMXPECSA-N 434.587 1.967 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748805899 YBELHEOJVNAPRH-ROUUACIJSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1748814998 MRERQXVVFIYLPS-SFHVURJKSA-N 433.578 1.479 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1748892934 YCCPJLPHYNDBOK-WOJBJXKFSA-N 431.606 1.764 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCCC2)CC1 1748977740 BBQPVXJYWJNWAK-HSZRJFAPSA-N 430.597 1.560 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](C)CN2CCOCC2)CC1 1749010632 UFDUSCIVQAMJLW-GOSISDBHSA-N 428.581 1.480 30 10 IDEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1749496124 JLEDYRPLKQGLCG-UHFFFAOYSA-N 429.546 1.912 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749664501 PFTYHKVSZQUHFA-UHFFFAOYSA-N 445.527 1.666 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccs2)CC1 1749677635 GNJQSWCDLSMISJ-UHFFFAOYSA-N 443.577 1.086 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749681458 BNNRCIAZMXPJCO-QFIPXVFZSA-N 434.585 1.541 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)CCOCC1 1750031589 XHOMICYPPTYMKI-MJGOQNOKSA-N 432.569 1.995 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cs1 1751782505 JUVROHWJVCZTDW-GOSISDBHSA-N 444.609 1.389 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CSCCS1 1760199112 PKTBYYSPCSJBKT-GOSISDBHSA-N 436.570 1.842 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1c(C)cccc1C 1760205673 HGQYJLCTGDQVQE-LJQANCHMSA-N 426.542 1.949 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1760207172 AGJJSQNRRNXAOL-UHFFFAOYSA-N 435.528 1.829 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1760245071 QCKBANVHPSZTEG-LJQANCHMSA-N 435.322 1.945 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CC1(C(N)=O)CCOCC1 1760484222 QTZLDNULXVMVAT-UHFFFAOYSA-N 446.577 1.953 30 10 IDEE C=CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760510255 OEQOFECSEGTZOU-ARFHVFGLSA-N 435.525 1.718 30 10 IDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760510834 QKUJTBCSZGYIAW-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528570 GUWDSXAYEZHUER-OAQYLSRUSA-N 445.524 1.308 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1761247493 JCNIBHQOMQPCBZ-RBUKOAKNSA-N 435.532 1.788 30 10 IDEE Cc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C 1761792451 NJHFUHWJULGUBF-XMSQKQJNSA-N 442.520 1.103 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COc2ccccc2O1 1762301319 CPCJQQITLSGTSE-DLBZAZTESA-N 440.504 1.765 30 10 IDEE CCc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(O)CCS(=O)(=O)C1 1762646156 HICILYHJYKUJFL-IIBYNOLFSA-N 447.561 1.565 30 10 IDEE CCN(CC1CCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1766807136 RJHYSFXDQRBOEO-MEUCICPISA-N 427.509 1.382 30 10 IDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc(C)s1 1767759996 AGASGOPVVZVXQG-UHFFFAOYSA-N 440.533 1.899 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1769774749 AESMEYJKRMBZBB-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)C)c1 1769921602 HYFNDRZPIIENRB-SFHVURJKSA-N 428.493 1.463 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1770106292 GFYQOJUUSDZENJ-KNQAVFIVSA-N 427.505 1.864 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1770216711 DXGWCKQEGHMXJB-BZSNNMDCSA-N 446.552 1.379 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1770313448 SYMALSCQMFRVEH-MSOLQXFVSA-N 442.545 1.499 30 10 IDEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1771062842 PBUPIKROCZDTLB-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1771109025 AIYDWBYEOOTSFM-UHFFFAOYSA-N 440.508 1.282 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN1CCCCCC1 1850098135 BDXOJCKABKFHMP-HXUWFJFHSA-N 434.606 1.788 30 10 IDEE COc1nc(I)ccc1OCC(=O)NCCN1CCC(C#N)CC1 1850216749 FDMRNSAYKSWQEG-UHFFFAOYSA-N 444.273 1.425 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)n1 1851770034 JJVOILQFRCLOGQ-UHFFFAOYSA-N 440.529 1.485 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)[C@@H]4CCCS4)C3=O)CC2)CC1 1854370284 FKIBCYAZSZHTSZ-MOPGFXCFSA-N 432.590 1.874 30 10 IDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1861775605 HCUGJHDRHHXKQA-HXUWFJFHSA-N 435.480 1.798 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 1870143352 ITDFWEAWUHBFLQ-UHFFFAOYSA-N 442.457 1.780 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645163 MAMQTZUGMZPIGE-UHFFFAOYSA-N 429.481 1.275 30 10 IDEE COc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc(OC)c1O 1873529255 QCDCACYWBLYNRW-MDIIPYEWSA-N 442.881 1.425 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)CC1 1891074640 YCMQZRRDXSKHLI-UHFFFAOYSA-N 444.532 1.866 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987532724 MWOBJNLZHBFJDH-XHSDSOJGSA-N 425.526 1.780 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2010031163 BHSYZCRHDIHIMJ-QKKBWIMNSA-N 439.509 1.874 30 10 IDEE C[C@H](c1cc(C#CCO)cs1)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130018073 FTZAZDAEWZVWIA-CQSZACIVSA-N 432.523 1.711 30 10 IDEE C#CCn1ncc(NC[C@@H]2CO[C@@H](CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2162293091 HOWLGZWDRHLNEU-CHWSQXEVSA-N 441.326 1.981 30 10 IDEE C#CCn1ncc(N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(Br)c1=O 2178148777 WJHQKQSBQCTDML-BNOWGMLFSA-N 439.310 1.685 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212241026 VWPZXZJIROZYCX-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2225622243 IQTHPOXHANWLLC-QYZOEREBSA-N 448.369 1.417 30 10 IDEE C[C@@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255545968 YKASBHFTUFAEGJ-AWEZNQCLSA-N 436.362 1.952 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2255649394 SUNDKJSRWXLJDQ-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255697649 JSGKOPKSJWZOKJ-SFHVURJKSA-N 427.232 1.664 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)n1 2255817686 ZSVUSAQUYNRNFX-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 2255875897 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Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2337304926 ZBMYDAYBLRGGJE-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)Nc3ccc(OC)cc3)cc2C1=O 9702396 DULILWKKBYKYHB-UHFFFAOYSA-N 437.408 1.982 30 10 IDEE CC(C)C[C@@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 11688070 HLSQLCOADIMQBK-FHWLQOOXSA-N 448.564 1.288 30 10 IDEE CCCCCCCC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC[C@H]1CCCO1 100170777 KAXQTJFSAHWZGU-HZPDHXFCSA-N 427.567 1.661 30 10 IDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1 410144387 HIPGXZPJTXOWHR-UHFFFAOYSA-N 440.451 1.944 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CCC1 431025970 VHINOBAGICFQDC-UHFFFAOYSA-N 442.541 1.003 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1-c1ccccc1 447265087 FCBSYCROUALQPF-UHFFFAOYSA-N 448.454 1.831 30 10 IDEE N#Cc1ccc(OCCNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 466098761 BYILWMQOZUIJGQ-UHFFFAOYSA-N 430.486 1.780 30 10 IDEE COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 469889892 ALZPGLSTQBJDBW-IHPCNDPISA-N 445.541 1.759 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCn3c(O)nnc3C1)CCCC2 475106502 IJQPLNKOKZKJNB-CQSZACIVSA-N 425.493 1.169 30 10 IDEE N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCCC1 475531387 POGJMTQHZALOJJ-UHFFFAOYSA-N 447.604 1.662 30 10 IDEE N#CC1(CS(=O)(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCC1 477472675 FWWXXLBLLIFLLV-UHFFFAOYSA-N 429.539 1.982 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 494230665 LZRHIADCPKVGHP-IPJJNNNSSA-N 431.968 1.894 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 502711335 JBLJPMOQXUJEKI-QFIPXVFZSA-N 429.473 1.961 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)s1 514707516 NWFMMLFJPSAXSS-QGZVFWFLSA-N 445.570 1.825 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 514916377 LBGFIRQNFMGCEA-OAHLLOKOSA-N 433.480 1.396 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2OC)c1=O 522283900 WHLIJDZWDQTOCM-UHFFFAOYSA-N 442.537 1.836 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)n1 545461342 AEHBSUIHNZULJM-UHFFFAOYSA-N 436.428 1.898 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 554402399 XPJKMIOYNUSTAS-QGZVFWFLSA-N 444.579 1.381 30 10 IDEE N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1Cl 566750149 KPDSNQBNXBJPKM-INIZCTEOSA-N 426.860 1.946 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(CC)CC)C1 581837025 BSPNPNCMOYGABZ-ROUUACIJSA-N 440.614 1.355 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2F)c1=O 603798150 UOTVYMIWUHAPDK-UHFFFAOYSA-N 449.507 1.708 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 604502260 DLTAEWIRCMNIMR-AWEZNQCLSA-N 445.566 1.068 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCc2ccnc(C#N)c2)c1OC 747031334 YVTYERIOOGNDEH-UHFFFAOYSA-N 447.469 1.348 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1=O 749960867 XYVXLPYKISEDTQ-HZPDHXFCSA-N 448.520 1.601 30 10 IDEE Cc1noc(C)c1CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 753921115 NZQOPZUMYQDHDG-UHFFFAOYSA-N 431.518 1.812 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(O)(c2cccc(C)c2C)CC1)c1cc[nH]n1 772300478 FWULAQLXUIMMME-UHFFFAOYSA-N 428.489 1.821 30 10 IDEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772901325 RDPNLQALSRYXOQ-UHFFFAOYSA-N 434.587 1.239 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CCOCC 772904662 NYUXPPWMGYIOQJ-UHFFFAOYSA-N 434.521 1.300 30 10 IDEE Cc1ccn(C[C@](C)(O)C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(=O)c1 790693614 BILLIPNXVBOWPU-ASSNKEHSSA-N 429.498 1.900 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 794580380 CQMLHCRLNUPNPP-UHFFFAOYSA-N 429.542 1.343 30 10 IDEE CC(C)[C@H](NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc2c(c1)OCCCO2 798740807 CCTPIFVIZOWPLX-VLIAUNLRSA-N 427.461 1.929 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc2C1=O 806124330 XIULNOTWZIOUTO-ZDUSSCGKSA-N 434.392 1.448 30 10 IDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nn1 811094252 FHLDEDXQXMOYNT-QZTJIDSGSA-N 434.474 1.299 30 10 IDEE COc1cc(C=NNc2nnc(SCC(=O)OCC(C)C)n2N)cc(OC)c1OC 1084232396 HYDFAFDZXFNHCS-UHFFFAOYSA-N 438.510 1.755 30 10 IDEE Cc1nc(=NC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n(-c2ccc(C#N)cc2)[nH]1 1126497382 ZFSJPTXFGMBBOM-KRWDZBQOSA-N 438.488 1.388 30 10 IDEE C#CCOc1ccc(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 1129127211 WKFWELQWMHSYDZ-UHFFFAOYSA-N 430.262 1.221 30 10 IDEE COC(=O)[C@@]1(NC(=O)[C@@H](C)n2cnc(C#N)n2)CCc2cc(Br)ccc2C1 1131154154 HBZJQJHUWGEDFJ-ADLMAVQZSA-N 432.278 1.690 30 10 IDEE Cn1ncc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1I 1134046513 RFKYHXFDRYHVER-LLVKDONJSA-N 435.225 1.888 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1135670632 VZKDETLTNQOSJM-QGZVFWFLSA-N 439.534 1.008 30 10 IDEE Cc1ccc(C(=O)N2CCN(CCn3cncn3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1136962421 LEORRYUIRRXVIX-UHFFFAOYSA-N 425.342 1.344 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1 1142865161 WBUHBOBGMRQIMJ-NRFANRHFSA-N 437.521 1.444 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1C)c1cc[nH]n1 1154092711 RGXNCCUFRDPQAU-CYBMUJFWSA-N 430.461 1.857 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1159098324 IBUHIBUQKRKECR-SNPRPXQTSA-N 434.518 1.382 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 1214206129 ZHPBFKXHSAFMNX-BFYDXBDKSA-N 439.559 1.466 30 10 IDEE COC(OC)C(=O)N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1226703848 UMAVCEBHGWDEGI-UHFFFAOYSA-N 431.493 1.116 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286392622 IUKTZDWCESMOJD-OTWHNJEPSA-N 435.594 1.631 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCNS(C)(=O)=O 1286561590 BZVGXTLCKSUZAW-AEFFLSMTSA-N 439.607 1.897 30 10 IDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1286709716 BYCQOUAAFQZQCN-UHFFFAOYSA-N 437.504 1.204 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(=O)OC)C1 1286778934 BTIYYXAEWHNDEB-NSHDSACASA-N 437.298 1.337 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1286786528 GEDDOKZKNHLZHR-GJZGRUSLSA-N 447.565 1.154 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(C)CC2)C1 1286810763 VODKBLQASPNRSI-IAGOWNOFSA-N 439.582 1.583 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286831616 AXEUQVZOTWCHTO-ROUUACIJSA-N 434.610 1.444 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCCCO)C1 1288976578 AWNRYCULTUXQGA-YJBOKZPZSA-N 427.596 1.426 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CNC(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296605651 IIPCHPZRAQSDOV-QFIPXVFZSA-N 442.520 1.796 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299031537 ZKIOEINKRQHKQO-CRGRJFMMSA-N 443.552 1.356 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1300273908 SHWJVFLRUWAKDF-IAGOWNOFSA-N 430.578 1.405 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300603983 ZJPHUHSGCIHTFO-JOCHJYFZSA-N 446.573 1.983 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1300622508 ZXIHRUOXDPRLBO-WIYYLYMNSA-N 436.560 1.958 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nccc(C(F)F)n2)CC1 1300733054 RETOHFRQADRXGJ-MRXNPFEDSA-N 445.474 1.871 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1300900242 OGWBMLICDIGEDH-MRXNPFEDSA-N 440.614 1.939 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C2CC2)CC1 1300903214 FHKNFYJLFZYMEA-FQEVSTJZSA-N 438.532 1.973 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301262115 QWIWMCXLGXFQCJ-LAUBAEHRSA-N 434.541 1.125 30 10 IDEE C[C@]1(c2cccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1322289803 LDHUEWVDCFYOTB-QMHKHESXSA-N 431.452 1.282 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358960284 AVMPVHOBEIOCSI-IBGZPJMESA-N 446.577 1.512 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCC(F)(F)F 1358999404 PZLHQQBHXHZVOX-HOCLYGCPSA-N 427.427 1.144 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1359030183 PYGCPUZVDOGLHZ-FDDCHVKYSA-N 442.539 1.379 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1359114164 ZYHBHODKOBSGCF-SFHVURJKSA-N 425.599 1.695 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nnc3n2CCCCC3)CC1 1359159437 WGLWZGLKHQXMSD-INIZCTEOSA-N 448.597 1.605 30 10 IDEE CC(C)CCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1359962203 QRZUSFSMEZZJOS-SJORKVTESA-N 425.555 1.362 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@@](C)(C#N)C3)CC2)cc1 1453891609 OOWDXQZGHBLRDE-NRFANRHFSA-N 448.545 1.070 30 10 IDEE CN(C)C[C@]1(O)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1471373921 NUTKMRWESGNOSU-WMZHIEFXSA-N 428.533 1.918 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)nnc1-c1ccco1 1472154690 AUTZFPKVKZGXKI-KGLIPLIRSA-N 439.563 1.589 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)CC(=O)OC(C)(C)C 1473620444 IPUGRZMICOOZFS-QHCPKHFHSA-N 442.516 1.238 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F)C(=O)OC 1475377985 AATBWHLPBCBQQF-LBPRGKRZSA-N 436.255 1.608 30 10 IDEE CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1504046517 GDLKFLIHNGZKOY-YWZLYKJASA-N 448.549 1.202 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C)n(C)c2=O)cc1 1504230156 CMOUBMMFHMSFEQ-NRFANRHFSA-N 448.527 1.856 30 10 IDEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1504557393 GFQRDJAKIUTFEV-MRXNPFEDSA-N 426.525 1.292 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504585273 HZDZUXFPEIJTIN-OALUTQOASA-N 441.536 1.774 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507571737 LJJCHZIZCAMOSN-KSZLIROESA-N 444.536 1.278 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1507731707 OXXHLCYDFXINKW-FCHUYYIVSA-N 443.640 1.201 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)CC1 1508075956 WNDVBEOGHYHNAF-UHFFFAOYSA-N 425.518 1.206 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508089181 AWPFOCDWOAQLBH-QHCPKHFHSA-N 438.532 1.493 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508139039 COGXNNWXEHOWTD-UHFFFAOYSA-N 435.594 1.985 30 10 IDEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1508152458 MRBPKJBBIRFAOC-OAHLLOKOSA-N 448.597 1.177 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1508160455 GKUXAPXSSPXNHQ-GVDBMIGSSA-N 425.624 1.772 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCOCCCO)n1 1511128988 QLFXKZJIGIZIAZ-UHFFFAOYSA-N 448.531 1.641 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1518817541 OCFQRIVZKDNABQ-OAQYLSRUSA-N 443.529 1.149 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(CS(C)(=O)=O)CC1 1519408409 HZGQLSMJLKAIQE-PMPSAXMXSA-N 425.555 1.423 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1539005034 XKKYFFMUFWRHSG-QMHKHESXSA-N 438.532 1.920 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539200394 HXNWZRLYGQIUDX-QZTJIDSGSA-N 447.605 1.967 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1539237282 BVPOIGIYBJDGGW-REWPJTCUSA-N 429.565 1.504 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)c1ccccc1 1539284523 QNBQQBKRUPXHSD-ICSRJNTNSA-N 442.541 1.549 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1539359703 OSFDWVXKXBLSGO-OAQYLSRUSA-N 448.545 1.362 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ncn(C)n2)CC1 1539461105 ALILNDQPNNUOLQ-UHFFFAOYSA-N 426.912 1.443 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539612046 GWMFWPPFFZPUJR-MJBXVCDLSA-N 449.371 1.534 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1539775080 IFOXNDYNUVAYPJ-KEYYUXOJSA-N 433.962 1.415 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCOC2)C1 1540867433 WFXDCSMYFACDHH-QFIPXVFZSA-N 427.505 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540903130 ZACZTKJTBDHYPX-HZPDHXFCSA-N 446.595 1.134 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C2CC2)ccc1F 1541945362 FYYZXWKSSHVKNS-CXAGYDPISA-N 448.524 1.682 30 10 IDEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 1554364718 DXDVJFNLBCFYOH-SFHVURJKSA-N 440.533 1.201 30 10 IDEE COc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)c1 1554986800 FSQYURHZBWHSFQ-MRXNPFEDSA-N 439.520 1.691 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1555581773 IUCIJKVBBAZVPJ-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)N1CCOCC1 1555739913 FGPRAXCUHILPET-FHWLQOOXSA-N 432.569 1.853 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1565481623 RYMGRKQOQFOWPX-MLHJIOFPSA-N 439.578 1.996 30 10 IDEE CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566243540 BDSMLMYZFVZPBC-SJLPKXTDSA-N 437.924 1.825 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1585293041 ASHRLSUNFMUOJQ-LBPRGKRZSA-N 446.323 1.248 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC(Cc2cc(OC)cc(OC)c2)C1)c1cc[nH]n1 1587130509 BTEHMHLTKIDNLY-UHFFFAOYSA-N 430.461 1.412 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 1587411212 KHFLRPPWPRQKCZ-ZBFHGGJFSA-N 427.479 1.464 30 10 IDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587999065 PGOQYFVSVAJKHY-MOPGFXCFSA-N 428.562 1.538 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1588049702 KWPXQDZQSZKPLV-GOEBONIOSA-N 445.511 1.666 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1588053244 BOFLNPPIQQGTNT-HOTGVXAUSA-N 435.575 1.498 30 10 IDEE C#CCN(c1nnc(CC)n1CCCNC(=O)c1occc1C)[C@@H]1CCS(=O)(=O)C1 1588059025 HSAKHGZYVSPJEV-MRXNPFEDSA-N 433.534 1.189 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1n[nH]c(C)n1 1588093202 FQKJMFSKEUNMAN-UHFFFAOYSA-N 435.488 1.713 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccccc1 1588445685 QPJCMFMEYUYBLX-UHFFFAOYSA-N 441.561 1.578 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OC)CCCC2)CC1 1588884662 IZRFNOZCRZXHPC-UHFFFAOYSA-N 430.553 1.341 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCn2nc(C)nc2C1 1595594599 NMAWJKZGQSISAK-UHFFFAOYSA-N 426.456 1.219 30 10 IDEE C=CCSCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1595905703 ONROAZVXFIXXES-GHTZIAJQSA-N 437.610 1.759 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2=O)cc1Cl 1596429634 BWWMTVBOFDBIQC-HNNXBMFYSA-N 442.907 1.466 30 10 IDEE CN(CCC(F)F)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1618163992 RNTDKTYAVPDAPV-HNENSFHCSA-N 431.447 1.882 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cccnc1 1620020384 XDFPLSKQKPFGCB-PXNSSMCTSA-N 425.537 1.816 30 10 IDEE CS(=O)(=O)CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1620161664 SLEDYMHHPIZXHY-INIZCTEOSA-N 443.595 1.135 30 10 IDEE CS(=O)(=O)CCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1620162521 CUNWJNZQJRKSHH-QGZVFWFLSA-N 428.518 1.445 30 10 IDEE C=CCCC[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 1624384744 KBLFOCQCUHMZPU-NRFANRHFSA-N 434.606 1.763 30 10 IDEE COc1ccc([C@@H](CO)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1626128266 OMNACFGPPDRMJQ-MRXNPFEDSA-N 431.514 1.406 30 10 IDEE N#Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)ccc1N1CCC(O)CC1 1630444738 YFCGPBKCEDCJHC-UHFFFAOYSA-N 432.477 1.575 30 10 IDEE CC1(C(=O)N2CCN3CCOC[C@]3(CO)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1639282264 FFGQFAMUXDMHPW-JOCHJYFZSA-N 432.952 1.724 30 10 IDEE N#C[C@@]12CN(C(=O)c3c[nH]c4c(OC(F)(F)F)cccc4c3=O)C[C@H]1CS(=O)(=O)C2 1646439705 OTCCBOUOKANEOT-BTDLBPIBSA-N 441.387 1.437 30 10 IDEE C=CC1(CC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CN(C(=O)OC(C)(C)C)C1 1646518413 KXCVXAWSQKIAKM-UHFFFAOYSA-N 427.498 1.903 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC[C@H]1C1CC1 1648028471 CELNUIBCNIWTFX-HOTGVXAUSA-N 429.477 1.382 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1648201431 KCTSXNKGDRBVOI-MSOLQXFVSA-N 444.513 1.898 30 10 IDEE C[C@@H]1[C@@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](C)C(=O)N1C 1654860388 BGBSWUDDRVXZTE-BZUAXINKSA-N 440.504 1.394 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)n1 1663144273 CHZIFKYEBMPDCC-UHFFFAOYSA-N 443.884 1.933 30 10 IDEE C#CCN(C(=O)NCCCN1CCC[C@@H](C(N)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1669127041 HLHMJBPPCJCCGF-GOSISDBHSA-N 449.596 1.618 30 10 IDEE CCO[C@H](CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)CN(C)C 1685190830 RRYZRVDNGAEQAS-LJQANCHMSA-N 425.537 1.747 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)C2)nc1 1685717749 OXSNARCQONWSIR-QGZVFWFLSA-N 429.502 1.396 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCS(C)(=O)=O 1689915132 QTPDNMJAQDUKOJ-UHFFFAOYSA-N 428.356 1.940 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccn(CC)c1=O 1690025421 QCSIDXMUFSRPPN-UHFFFAOYSA-N 434.525 1.572 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 1690231645 JTMSSRJANZSLMT-UHFFFAOYSA-N 447.341 1.426 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCS(C)(=O)=O)CC1 1690410920 AYIBMDWJWRWDNT-KRWDZBQOSA-N 444.623 1.798 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690658875 CIIPAYFPNCEFMK-CYBMUJFWSA-N 430.475 1.989 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1690724162 JDWNTNHISJRMHR-AWEZNQCLSA-N 437.488 1.067 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1690883716 FNJDKDMVPIUACJ-BFUOFWGJSA-N 449.512 1.337 30 10 IDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCn1cnnn1 1692502387 JFUJEJXJBIXGBY-UHFFFAOYSA-N 434.508 1.534 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1697926061 GMPLJWHSSZOKCJ-WMZHIEFXSA-N 440.548 1.909 30 10 IDEE COCCOCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1698219448 IBTLOLIPDNUJGO-UHFFFAOYSA-N 444.584 1.869 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCS(=O)(=O)NC 1705547188 XEQUVGDBYGTIHV-UHFFFAOYSA-N 429.502 1.736 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1705570531 OCFDMIQQJWGTQW-SFHVURJKSA-N 431.562 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1OC 1705576312 JOFTUNLVRMDXQD-ICSRJNTNSA-N 442.541 1.473 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1705695244 AXGXVNJWPWSKFS-JONQDZQNSA-N 429.612 1.811 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705898515 OKGJFLJADPMFFH-QGZVFWFLSA-N 442.520 1.369 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705905361 SNZBPMOFOUTOFD-QFIPXVFZSA-N 440.504 1.211 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(C)=O)C1 1705934357 JUUOBXNNBYQBCI-KRWDZBQOSA-N 432.550 1.354 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705936027 IGNLVONPISCJBH-MRXNPFEDSA-N 436.538 1.806 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 1708234427 NDTPBSABZWIOTJ-HZPDHXFCSA-N 448.549 1.234 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711055168 OOESRDYSYPEYRI-VHEBQXMUSA-N 429.525 1.108 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(NC(C)=O)cc1 1712565958 JLKCGXROJISATB-OXQOHEQNSA-N 442.520 1.932 30 10 IDEE COCCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712617592 KOJQMTJBXVTUIG-UHFFFAOYSA-N 448.531 1.592 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1722436983 HZLUNHUOHQYCMN-SFHVURJKSA-N 432.569 1.794 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(COC(C)(C)C)on1 1722447354 KXDLFXQKJMBXCV-QGZVFWFLSA-N 430.509 1.667 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)cc(C)c2C1 1722698825 NDSOAIZSJLIDEQ-INIZCTEOSA-N 447.536 1.493 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703714 FPPHLVLDPUIPBC-FCHUYYIVSA-N 433.553 1.628 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723649958 CDCNFFMEHHDGCS-UHFFFAOYSA-N 432.488 1.323 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNc2ccccn2)CCOC1 1723692495 PANIELFSYSQSAG-PGRDOPGGSA-N 441.536 1.945 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3C[C@@H](C)N(C)C)CC2)c1C#N 1725867412 HRTUEKMBXSJVST-MRXNPFEDSA-N 436.568 1.474 30 10 IDEE C[C@H]1CCCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1726545264 GTJHQMUSBMVLPA-MAUKXSAKSA-N 448.549 1.750 30 10 IDEE CC[S@](=O)CCn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729231056 JGDDWTODYNXCFO-PSKUBERUSA-N 448.549 1.306 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1731017606 ZFLYBVILNJTTLH-MOPGFXCFSA-N 444.561 1.619 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1740662924 YUQPTHIJBHEWOX-JTQLQIEISA-N 433.431 1.953 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C 1740678513 NMCNWDYQDHGVRI-UHFFFAOYSA-N 436.557 1.806 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)CCC(C)C)CC1 1740692621 NDPYGKUJEKAGND-XZOQPEGZSA-N 433.597 1.873 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740960947 HAZCSJAXKKRNBU-KRWDZBQOSA-N 435.525 1.324 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740965680 RCWRWUHGHQCMJW-CVDCTZTESA-N 446.596 1.686 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1746308486 GLDHVFUKGKOGHH-GOSISDBHSA-N 443.533 1.217 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(=O)NC)CC1 1746433611 FFOOGQIBIMFTRO-SFHVURJKSA-N 438.580 1.415 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](F)COC)c2ccccc2c1=O 1746472935 LNRODTZAAHFQAJ-LSDHHAIUSA-N 441.467 1.388 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(C)=O 1746889455 UABJDUQMZYAIBG-QGZVFWFLSA-N 428.493 1.511 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1747542976 XLELCJMQCMWXCY-HXUWFJFHSA-N 437.548 1.454 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC)c1 1748692926 RZHVTFDLHMBQRT-QGZVFWFLSA-N 445.545 1.273 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1748731976 PISSLLVUMQWDRB-WMLDXEAASA-N 434.570 1.352 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748755471 MHVWHMXZVHOPKM-UHFFFAOYSA-N 441.605 1.792 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1748826037 KWLGTYNKVMGHSR-HKUYNNGSSA-N 434.610 1.472 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1749141187 XCVGXIUGIIFZGX-SPEDKVCISA-N 449.552 1.800 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749732129 QGDPIGFVWVNHSF-AWEZNQCLSA-N 435.554 1.331 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCSCCCO)cc1 1750383132 PKHXWLDXILMHNE-KRWDZBQOSA-N 427.534 1.146 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)(F)F)CCN1C1CC1 1750386078 GRTQLCNOYDHDIQ-ZIAGYGMSSA-N 427.431 1.332 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750916609 RLQDMYGREYUAPE-HTXNQAPBSA-N 429.525 1.569 30 10 IDEE C[C@H]1CN(C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1752268230 BWVVPAJXYVPOKD-FGTMMUONSA-N 425.537 1.957 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1752387744 KGMGOSGRQRRRRL-DBHNTLKXSA-N 427.505 1.882 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1760191900 BANLAZRDWDFKJE-LSDHHAIUSA-N 432.493 1.428 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1760198827 JTLHEVXINUSVKG-PZJWPPBQSA-N 428.500 1.975 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760201845 KHVQMWRVSZIWSV-IBGZPJMESA-N 433.516 1.880 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2nsnc2c1 1760243655 ORVYYJLCLJXAQJ-UHFFFAOYSA-N 425.518 1.653 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCSCC2)CC1 1760252607 SFVNGMNGYVGMRC-UHFFFAOYSA-N 433.626 1.001 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760258767 RRDWEHAEZCHJGU-SFHVURJKSA-N 443.573 1.534 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(SC)CCOCC2)CC1 1760262014 GDINOINHMVFYPG-UHFFFAOYSA-N 426.590 1.931 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760305636 LZUHKFJLJGTQAQ-INIZCTEOSA-N 441.355 1.602 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760526816 UMLIZXNCUJVVPI-QZTJIDSGSA-N 437.548 1.950 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1[C@H]2CCC[C@H]12 1760554983 SSYRZNCZXMSACM-ILXRZTDVSA-N 428.580 1.016 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC[C@@H](O)C1 1761466103 HEBKUGMWMKSAGV-ZYSHUDEJSA-N 446.577 1.947 30 10 IDEE CCC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1763875459 ACKNRVJQDRQSIO-RCCFBDPRSA-N 440.552 1.974 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1767635190 WZPPFEZCRDCVFO-CVEARBPZSA-N 426.477 1.263 30 10 IDEE CN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1768544080 QSVNOFSTOHGOLO-RMYFCYLKSA-N 427.534 1.752 30 10 IDEE CNC(=O)CCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1769293970 OYAPAKHUAFYBNY-RJCBAWPRSA-N 445.524 1.009 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1769367071 VMKCHXJHVNXMQA-UHFFFAOYSA-N 439.501 1.029 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@@H]2CCOC2)CCO1 1770746987 KHVBVXUCIBXJCJ-MSOLQXFVSA-N 428.449 1.778 30 10 IDEE COCC[C@](C)(O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1770983661 CDWQNSVJXQHVHC-XERREHJYSA-N 429.477 1.307 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1772567216 XARHWVHMFVPZLV-KRWDZBQOSA-N 429.500 1.683 30 10 IDEE COCCn1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n(C2CC2)c1=O 1848968282 UZNSLEHCWUWQOK-MRXNPFEDSA-N 431.518 1.466 30 10 IDEE CN1CCCC[C@H]1C(=O)Nc1nc(N2CCN(c3ccccn3)CC2)c(C#N)cc1C#N 1851397730 RJSJYGUFZMUJGN-IBGZPJMESA-N 430.516 1.969 30 10 IDEE C[C@@H]1CC(=NC(=O)[C@@H](N2CCS(=O)(=O)CC2)C(C)(C)C)NN1c1ccc(Cl)cn1 1851723117 SJJAXYQGSGAACI-CXAGYDPISA-N 441.985 1.908 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)cc1 1851769181 JPHTYQMKLJKNCU-UHFFFAOYSA-N 428.518 1.341 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)cc1 1854453867 FSOUSSLMGINMKY-LJQANCHMSA-N 429.542 1.662 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)C(=O)C1 1854599367 JULXSQWGGUPMSI-LJQANCHMSA-N 435.546 1.485 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(Cl)c3)C2)CC1=O 1855884800 RWTKUFBDJSKDDX-MRXNPFEDSA-N 425.938 1.740 30 10 IDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)cc1 1856468049 CWNWDPFGDFBIBZ-FQEVSTJZSA-N 429.542 1.660 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1=O 1856791975 LZARSFHPBUOZTR-AAEUAGOBSA-N 449.312 1.876 30 10 IDEE C=CCN(CC=C)C(=O)CNC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162930 VZKBSTUCYJLISU-SFHVURJKSA-N 429.517 1.412 30 10 IDEE CCOc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870148573 UAMFEOVIQDHMRP-UHFFFAOYSA-N 430.424 1.945 30 10 IDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891737358 SZAQIOHFZAZCRP-YLJYHZDGSA-N 448.545 1.694 30 10 IDEE C#CCN(CC(=O)NCCn1cc(I)cn1)C(=O)OC(C)(C)C 1962757704 WCHARIFOPDYUMB-UHFFFAOYSA-N 432.262 1.474 30 10 IDEE CC(C)(C#CC(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1993921345 OUUQGBSGNTVVON-NRFANRHFSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2010406190 QVOSDPQDIGYWLF-KGLIPLIRSA-N 425.335 1.840 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2020787857 ZUDQBPBIHNOMJE-VFNWGFHPSA-N 438.525 1.720 30 10 IDEE C=C(Br)CS(=O)(=O)N1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]1COC2 2024750555 VFERFCXMLSRZGH-STQMWFEESA-N 425.345 1.935 30 10 IDEE C#CCn1ncc(NCCOCCCNC(=O)OC(C)(C)C)c(Br)c1=O 2106102710 SZZWZHXFSUBYKY-UHFFFAOYSA-N 429.315 1.982 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255609606 ITZZFJXVBGCWQX-ZDUSSCGKSA-N 436.318 1.390 30 10 IDEE Cn1cc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2255816927 NBACBPXDUDDPAA-STQMWFEESA-N 432.330 1.314 30 10 IDEE Cn1cc(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267124849 AMEAJGPNHKYGJA-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE C=CC1(C=C)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2286041922 AYTYJGCSZYIBLC-QGZVFWFLSA-N 438.502 1.227 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2315607503 WFHYYQOUVHZIHS-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)C=Cc2cccc(F)c2)C1 2328074888 ZCYQMPTWRUDKLW-PXNSSMCTSA-N 435.455 1.941 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2337302362 VQPXONWJVDBUQP-KFWWJZLASA-N 446.357 1.705 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)n1C 2337398218 MSSAZHGIFJCGBM-UHFFFAOYSA-N 446.357 1.863 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccncc1 21324573 FMXMPVRNEQKHBQ-SRZZPIQSSA-N 427.450 1.862 30 10 IDEE C=CCN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCCOC)C2=O 96281946 XOOBDSCAZHBSKH-LJQANCHMSA-N 432.908 1.841 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)n(Cc2ccccc2)c1C 434790670 XLPALMQODNVAAQ-QHCPKHFHSA-N 434.500 1.637 30 10 IDEE Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 467470925 AOMGPXWUFGRXSV-UHFFFAOYSA-N 443.485 1.204 30 10 IDEE N#Cc1ccc(OC2CCN(c3ccc(C(=O)N4CCS(=O)(=O)CC4)cn3)CC2)cc1 468720852 WHLDYFFVBSQSMK-UHFFFAOYSA-N 440.525 1.872 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2cnc(C)c(C#N)c2)s1 489191751 ZPXWQQJTZPFABO-UHFFFAOYSA-N 442.588 1.875 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)n(C)n1 506532176 DKCRARYLCZDBGN-SFHVURJKSA-N 442.545 1.102 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508955980 LPWLSYTUGUSMSP-HSZRJFAPSA-N 433.516 1.967 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 508998982 OZZMUQXSRJAVEL-HXUWFJFHSA-N 436.516 1.925 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 515558844 HVFFPRFVWVFDSG-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C 532221563 TUXKVNGOGUQKCX-KXBFYZLASA-N 428.514 1.041 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1C[C@@H]1CCCO1 603989881 LNTSXMWUZZWDNQ-SFHVURJKSA-N 439.537 1.293 30 10 IDEE C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 614865947 HMVQXKLLFCSZNS-HNNXBMFYSA-N 443.481 1.841 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 726574169 BEFMJGRFNBVFDA-CZUORRHYSA-N 428.558 1.557 30 10 IDEE COC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Cc1cccc(F)c1 729976898 PFKRYMRNNGQMHA-CQSZACIVSA-N 433.461 1.012 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)C[C@@H](C)O1 732446595 SXEOPWLKBFXXAJ-JCFLCSRNSA-N 428.493 1.021 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)CC1 733148921 OMFJHQMNFDWMJZ-QGZVFWFLSA-N 428.558 1.045 30 10 IDEE CN(Cc1nc(-c2cccnc2)no1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 733957701 BKABBNYUMPQLHH-UHFFFAOYSA-N 426.458 1.219 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CCN1C1CC1 735676144 WKBKNUFEPGFRSE-LJQANCHMSA-N 432.546 1.790 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 746108668 DXDMRLQNRFSQLF-QZQOTICOSA-N 446.529 1.394 30 10 IDEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CN(C(=O)OC(C)(C)C)C1 747964601 ULUGTOQCBPWIJY-CQSZACIVSA-N 436.534 1.693 30 10 IDEE C[C@H]1Cc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc2N1S(C)(=O)=O 760404580 HMLOQLUQIIJKTP-AWEZNQCLSA-N 439.559 1.931 30 10 IDEE C[C@@H]1CC(=NC(=O)C[C@@]2(C(=O)N=C3C[C@@H](C)ON3)CCN(C(=O)OC(C)(C)C)C2)NO1 777436643 SWUVTXOWPSAYOE-IZDJOXEWSA-N 437.497 1.481 30 10 IDEE CN1C(=O)N(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)C(=O)C12CCCCC2 786568404 GUOJJEODXSAXJC-AWEZNQCLSA-N 432.427 1.887 30 10 IDEE COC(=O)[C@@H](OC(=O)c1c(I)cnn1C)c1ccc(C#N)cc1 796607357 MOMOTMQRKBQGKU-ZDUSSCGKSA-N 425.182 1.967 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12)c1cc[nH]n1 799769976 INFLWVYSNOWKQA-MRXNPFEDSA-N 439.472 1.645 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 800779933 FDBSQLQFMAYPSO-RDBSUJKOSA-N 428.559 1.424 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 802474122 HGWVBKIONVEQMG-UAFUQJIBSA-N 425.489 1.046 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC=C 809922852 SJHGONXBQZIJIQ-UHFFFAOYSA-N 425.514 1.225 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccn(-c2ccc(Br)cc2)n1 815555799 IFQXGRLWTHZBAU-FBMGVBCBSA-N 430.262 1.891 30 10 IDEE N#CCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 816291431 VYFHLIPKJCVXFU-MFOYZWKCSA-N 430.530 1.284 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCN(C(C)C)C[C@@H]3c3cnn(C)c3)CC2)c1C#N 849580585 BPADNPHLFJADLK-PZJWPPBQSA-N 438.580 1.496 30 10 IDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCOCC1 1131468464 FWEKUHDIJQNHBZ-GOSISDBHSA-N 426.922 1.519 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2N)cc1 1136408186 FVRKOJAYAMQRNA-UHFFFAOYSA-N 428.514 2.000 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)s1 1142772898 DJAZCIIIJPHLJI-ZDUSSCGKSA-N 434.543 1.754 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc2n(n1)CCCC2 1144035779 SDHDQOYYDZJKOX-SFHVURJKSA-N 429.546 1.989 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCn2cc(Br)cn2)s1 1160395373 HRELYPAIYPPNLS-UHFFFAOYSA-N 447.380 1.920 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C[C@H](O)COc3ccccc3C#N)C2)CC1 1170093737 DZPLGKAVQLGUKY-UXHICEINSA-N 430.549 1.925 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)CC1 1175515242 UJSSUGLRYPUWEC-UHFFFAOYSA-N 444.351 1.462 30 10 IDEE CN(CC[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1181630702 OKFGLTBQGXUXKP-INIZCTEOSA-N 433.509 1.849 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 1251189312 CMOCVFVYUQMSOI-KRWDZBQOSA-N 428.917 1.725 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2nncn2CC)c1 1286311415 HUBAFFHKMLNEQI-GOSISDBHSA-N 434.504 1.846 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286388876 WIYPPZZZLUJLMO-LJQANCHMSA-N 445.589 1.921 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1286410721 VQSPLKQZPJBYMT-LJQANCHMSA-N 440.525 1.831 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1286494992 WZZMSAUFCSUESG-CYFREDJKSA-N 437.544 1.656 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1286504121 INFAMBCZGHUTTE-INIZCTEOSA-N 437.529 1.675 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COC)C1 1286549249 WYCODIIQHKKECK-VQHPVUNQSA-N 427.571 1.342 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286605724 UILJXWOGTBIDIB-QGZVFWFLSA-N 425.493 1.406 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)C)CC1 1286663233 JFBIMCYAEBGXMW-QZTJIDSGSA-N 441.598 1.684 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286710790 CXSJOTDRLBKRSW-HNNXBMFYSA-N 425.497 1.398 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(N2CCOCC2)n1 1286773153 IRSJIFQCARGNSK-SFHVURJKSA-N 428.537 1.701 30 10 IDEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1288662563 BYFHPLCUODAPKM-SFHVURJKSA-N 431.548 1.807 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)C1 1288988542 AISPZXMZILFAII-OAQYLSRUSA-N 444.561 1.733 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 1289309852 FIPIJSVFMPFSOB-QGZVFWFLSA-N 447.538 1.114 30 10 IDEE CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1297709077 FATNTUCQWBNBFE-OAHLLOKOSA-N 444.565 1.042 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1298283563 HMXBWXHWRATBCL-UHFFFAOYSA-N 428.460 1.610 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1298748831 WLHXDNPFCCUIKR-UHFFFAOYSA-N 446.533 1.061 30 10 IDEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300422273 JJAWNNMVDZCJKY-INIZCTEOSA-N 442.907 1.071 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCN(CC)CC1 1300471408 AUAVMVSHWZRVAB-GOSISDBHSA-N 443.621 1.613 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300498296 ISMDERJVVOWMAV-WIYYLYMNSA-N 431.562 1.298 30 10 IDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1300545172 KGBSBECXZHONCQ-UHFFFAOYSA-N 440.569 1.466 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCO[C@H]2C)n1 1300681147 KQZPGQPPCALBCA-KPLVRAHFSA-N 444.536 1.152 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCOCC2(C)C)CC1 1300719454 BOTXNBXKHXFYLI-UHFFFAOYSA-N 439.564 1.350 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1300729414 ZCLGRPPIRVWSEU-UHFFFAOYSA-N 446.515 1.619 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1300870834 ANJLQTURNXIEQP-MJGOQNOKSA-N 432.569 1.702 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1301297668 SLILPIJLERNEFJ-AEFFLSMTSA-N 435.550 1.701 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301403494 KGZHJYULNCWBIP-RXVVDRJESA-N 446.529 1.519 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301613313 VXDQHWOLMPVWRB-BRWVUGGUSA-N 426.608 1.962 30 10 IDEE COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1302138355 QCCVXDAQKURYCQ-GOSISDBHSA-N 447.499 1.597 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)NC)CC1)c1ccc(Br)cc1 1312936467 IMZBEQCRAKIVBQ-OAHLLOKOSA-N 429.340 1.351 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)CC1 1313951353 GVWNQXOWQIUBBD-LJQANCHMSA-N 430.601 1.670 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ncccc1N(C)C 1314388738 CNGDXRFTYHLNDD-UHFFFAOYSA-N 447.547 1.917 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316001047 MJGMROYCQKETLA-XZHYIPMRSA-N 444.536 1.561 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H](O)C1 1316205506 GMNGCQRYNLBZNL-HNBVOPMISA-N 432.569 1.730 30 10 IDEE COCCOCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316266631 CMQVINNBUSXEIQ-UHFFFAOYSA-N 435.488 1.462 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(N(C)C)nc1 1358880252 IIYSEVRXVBXKLI-INIZCTEOSA-N 428.504 1.888 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1358967491 LNAGETXMMRMHOX-GOSISDBHSA-N 442.545 1.446 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1358995503 UEYSSYMGSJAQQC-UHFFFAOYSA-N 447.511 1.646 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1359021408 NTCQEODNBIXAEE-QGZVFWFLSA-N 444.446 1.431 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1359024158 GMJFNEHFALMOCJ-SFHVURJKSA-N 446.573 1.542 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CC1 1359038725 HZLYKVIRFRYLLQ-UHFFFAOYSA-N 435.532 1.256 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1359202829 CNDLYCBGJYFZCG-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)C1 1359312872 BZBDQOSDVPDOBZ-KSSFIOAISA-N 447.458 1.390 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 1450487243 ZJXNIIWESXSDIP-QGZVFWFLSA-N 439.534 1.478 30 10 IDEE CSC[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1452948411 UEJGHZYZTNELFJ-HCXYKTFWSA-N 429.542 1.957 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1454012863 NTSUMGXAXKWIHR-KRWDZBQOSA-N 432.496 1.880 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1455201153 BINSLFFMFGUXHI-GFCCVEGCSA-N 435.340 1.431 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1471629190 IIYJTESCYSWIGR-UHFFFAOYSA-N 432.468 1.286 30 10 IDEE CN(CCCNC(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O)S(C)(=O)=O 1473049645 IOECJPMYJPOLMC-UHFFFAOYSA-N 442.950 1.500 30 10 IDEE COC(=O)[C@]12CCC[C@H]1N(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)CC2 1473777120 IDDZRYONXIFWOJ-VIZSFHNOSA-N 428.508 1.952 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1503720817 UPKARKLVXBNCTK-UFOSLELVSA-N 431.541 1.211 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1505153180 RFZNCJZKGRRIPE-LJQANCHMSA-N 442.545 1.844 30 10 IDEE CSCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1505231989 MHFOJZKGVFULJZ-SGOHWPKCSA-N 447.565 1.333 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1507531799 DEPIEPZKTQEOPR-HNNXBMFYSA-N 442.545 1.568 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1507588166 GTTFREUFYYGFNT-IRXDYDNUSA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](OC)C(C)C)CC1 1507727640 RHFMYNRKRFVPIQ-KRWDZBQOSA-N 430.578 1.696 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1507957581 QOVMFGVMSSKJCM-UHFFFAOYSA-N 432.569 1.848 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098763 RLRGENIMVFFXKZ-HTAPYJJXSA-N 435.569 1.872 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1508162130 PFOPKOFVMOHWCN-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509625794 UGMHAGNWIMNQTG-CZIZESTLSA-N 443.552 1.815 30 10 IDEE C[C@H]1CCCN1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1510155342 HXAQAZOHIQQATF-DLBZAZTESA-N 445.593 1.881 30 10 IDEE Cc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1511775076 GWDRESIEOZAXKJ-YMDGAWCUSA-N 428.518 1.487 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[C@@H]1COCCO1 1516588280 QQBWWWFRUJEJRI-QGZVFWFLSA-N 444.511 1.957 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1519518261 ZGJMXOFIFASAAA-QGZVFWFLSA-N 430.534 1.343 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 1528251763 BHESQVJMTCLSLE-TZMCWYRMSA-N 447.307 1.026 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539222845 XJIVBJPUMOTTGB-ROUUACIJSA-N 445.520 1.238 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1539430347 JCIOEOAWHZPEHS-NNMXDRDESA-N 433.553 1.095 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCn2ccnn2)CC1 1539462725 YCRCTCGLDLRJFY-UHFFFAOYSA-N 436.520 1.303 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1540147961 QKSXQXKINOWLCL-OAQYLSRUSA-N 430.578 1.721 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1540865464 HVKLXYMOGQQHED-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1540869295 IGYBWXZWYXOIOE-GJZGRUSLSA-N 442.524 1.422 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1540872752 ZNDOKSZAEZJAPX-ZHRRBRCNSA-N 429.496 1.694 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1540874904 VNTODVQPZVEASI-QGZVFWFLSA-N 426.521 1.478 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1540876719 YXVGXUAGAWCTCT-LBTNJELSSA-N 431.459 1.867 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540907334 SRUGGKRWMYCJTB-UFRUDQCGSA-N 448.593 1.338 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1548326813 CQIGYJAMHUTMIJ-CRAIPNDOSA-N 428.534 1.286 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554504952 DVDZCFRJEFBGFA-SJORKVTESA-N 425.518 1.566 30 10 IDEE CO[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554590602 ASBDFGSUNGYVEZ-ATLSCFEFSA-N 432.550 1.667 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC[C@H]1C 1555173227 RSJCMSZYJMWOCX-APWZRJJASA-N 444.561 1.713 30 10 IDEE COCCOCc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1555708615 DSOYDTYCABPRDF-RTBURBONSA-N 440.504 1.169 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C3CCCC3)n1CC(=O)NCC(F)F)C2 1555988256 VGNVDVAMSQPRRG-UHFFFAOYSA-N 431.447 1.852 30 10 IDEE Cn1[nH]c([C@@H]2CCCN2C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc1=N 1556315934 JZWQGLGPWRZMLB-QOLBRVKBSA-N 429.525 1.678 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C(=O)NO)cc1 1556382085 TYUQWPYLFMAAJN-UHFFFAOYSA-N 433.486 1.065 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1557723055 PFZMKMNLIRKKAL-UHFFFAOYSA-N 428.514 1.445 30 10 IDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N[C@H](CC#N)C(F)(F)F)ccc21 1559037436 WZKAXKXTQSMLJF-GFCCVEGCSA-N 426.399 1.917 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1588046142 YEZVFGAGEDKFOU-HNNXBMFYSA-N 443.508 1.371 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588055586 XWMBQRINIOKAEN-LVCYWYKZSA-N 438.594 1.596 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1588069151 IGAAQNLRJFHEPI-HNNXBMFYSA-N 441.504 1.073 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1588877322 ZNMOACRPKXIVNS-WOZUAGRISA-N 431.581 1.963 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1593635887 BNYKUWZGKBBIOI-CQSZACIVSA-N 435.510 1.703 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1593736056 WAXGWENLLJPCCG-IBGZPJMESA-N 426.525 1.682 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCSC)CC1 1594096584 FGMHPQOWCWJYQN-MRXNPFEDSA-N 429.612 1.911 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595530015 POPRGPWLQYMBRX-HSZRJFAPSA-N 435.532 1.701 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1603081187 VTBVROHPYKSGTI-ROUUACIJSA-N 437.504 1.666 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCOC1 1606959372 YNUHHZXJECPISZ-OAQYLSRUSA-N 430.509 1.923 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC#N 1610304549 FQVGJWQBWHQHDU-INIZCTEOSA-N 444.565 1.583 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1611303777 RTDDVSZZCMQCBN-OAHLLOKOSA-N 429.525 1.855 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1620155010 LIWMHXVHKARUCH-SFHVURJKSA-N 445.545 1.636 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1620356009 QLGGMRYHOXXJDZ-IXDOHACOSA-N 440.495 1.604 30 10 IDEE C#CCN(CC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)C(=O)OC(C)(C)C 1623361334 MTVMDEBYYKOEKD-INIZCTEOSA-N 441.484 1.380 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)s1 1625200038 WBRJVTCDATWNSC-GOSISDBHSA-N 447.582 1.715 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br)C(=O)OC 1626188290 VCXOMGLSJSJKFB-OAHLLOKOSA-N 445.335 1.678 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 1633522342 GWKBXDMKGCERHO-AWEZNQCLSA-N 425.334 1.975 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)[C@H](C#N)C1 1634108860 RHFMFSPSTINEQD-OHHBCXFOSA-N 426.539 1.212 30 10 IDEE CCOC(=O)C1=CC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1640476658 LUENTBGMDAOLRF-DOTOQJQBSA-N 433.530 1.908 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 1640844368 CORSPHXRHVWCAU-HRCADAONSA-N 440.525 1.708 30 10 IDEE C=CCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OCC 1640863683 KVFSMYGPBSYIJL-AWEZNQCLSA-N 425.438 1.810 30 10 IDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)OC 1642410311 ABGGSGANEZCMTE-INIZCTEOSA-N 446.447 1.787 30 10 IDEE C#C[C@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCOCC1 1666000986 OMUOJHKLPCLCGC-FQEVSTJZSA-N 435.546 1.076 30 10 IDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1666460367 CQMQNAVZAUQQJU-MRXNPFEDSA-N 439.534 1.656 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1680909829 OXVGVGJBCLPZAT-CYBMUJFWSA-N 425.498 1.779 30 10 IDEE N#CCNC(=O)CNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 1682372833 BLBPDRLZGWZZQN-ZDUSSCGKSA-N 426.258 1.505 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1689824390 ONIRBACPRRQEMB-KRWDZBQOSA-N 440.523 1.996 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1689850603 FERVZFGDNILCAA-HOCLYGCPSA-N 448.545 1.712 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccn(C)n2)c1 1689870413 NCLWGPIHPKHUNC-GOSISDBHSA-N 432.488 1.067 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1689975420 VYMMGOCQNOKONW-LJQANCHMSA-N 426.565 1.961 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1689991337 ZUIPKHFRQYDNSB-LSDHHAIUSA-N 443.367 1.707 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1689992763 OLWOTUVGESTVSA-IBGZPJMESA-N 444.532 1.981 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689994417 XWGQADVVQDPHMR-CVEARBPZSA-N 426.539 1.542 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(C)=O)CC1 1690148707 QOHIGVHFUIVXIT-UHFFFAOYSA-N 440.523 1.500 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1690235129 XMWZKCBZQIWWQN-OGHNNQOOSA-N 443.298 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(OC)C1 1690717277 AMYOXRDLKODQSO-UHFFFAOYSA-N 444.355 1.862 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690742099 GHPAUKMOIIMJIJ-CQSZACIVSA-N 448.622 1.889 30 10 IDEE Cc1c(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1692930120 XJNGGAJGDLGSMJ-ZZEZOPTASA-N 435.492 1.478 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1693750986 WRJBALFKTJMDBF-OAHLLOKOSA-N 433.472 1.393 30 10 IDEE CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1693913097 QLQAFCZQAMPGAH-OAQYLSRUSA-N 437.504 1.498 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1694782816 CEJWEVQUGZSCJG-GOSISDBHSA-N 433.472 1.441 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)C1 1696950246 DYAWIBOWEGYTHG-SJLPKXTDSA-N 426.521 1.974 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cnn(C)c1C 1698170791 WCYIIYMBCPIMPD-VQIMIIECSA-N 428.541 1.269 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1705477246 LGGWOMOKWZHYCE-IAGOWNOFSA-N 441.561 1.639 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1705560208 ILGTXICEBKZHPD-QYZOEREBSA-N 437.610 1.265 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566294 MHCCOWCLDQNAGJ-MOPGFXCFSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570428 NGKVDJIKCJYWSA-MRXNPFEDSA-N 437.610 1.798 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1705579939 ZIUMVYVOGZTVNZ-UHFFFAOYSA-N 443.558 1.100 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2F)CC1 1705647662 KMNZGONMAAYVJZ-IBGZPJMESA-N 438.507 1.577 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705747101 FDFVCQUBOFSFLO-UGSOOPFHSA-N 443.932 1.878 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705884801 YECIMYSKFWNICL-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(C)o1 1705897133 GTVQYBJGDSRCPB-HUUCEWRRSA-N 436.538 1.433 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705902598 HYTNCFMLDYPLRZ-WCJKSRRJSA-N 446.552 1.925 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1705905125 KJIKLMSICFHWGI-QGZVFWFLSA-N 427.505 1.569 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1C(C)(C)C 1705909225 QLQRSEDXNHRTNI-IBGZPJMESA-N 426.565 1.733 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705946380 GRQZMFXUBLAUGC-ZACQAIPSSA-N 442.607 1.484 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1706074783 DRUVOQFWJBDYSO-BDXSIMOUSA-N 430.532 1.724 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1710195939 RLPZECULTBMKDW-UHFFFAOYSA-N 428.522 1.347 30 10 IDEE CO[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712058105 HWDYDUVLDVUKHC-SGRLSNSRSA-N 437.504 1.406 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1712182810 JTNYBESJFUEHRX-IEBWSBKVSA-N 446.483 1.055 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H](C)O1 1712302939 BOCLZPZUNGJRBV-LPHOPBHVSA-N 442.520 1.447 30 10 IDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1712887443 HGAPEGDNBIIPNK-UHFFFAOYSA-N 434.566 1.355 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C)c1ccccc1 1722350752 CTHJXAQGQXZKFE-LJQANCHMSA-N 446.577 1.207 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCS(C)(=O)=O)CC1 1722435246 DYQYDRCTQYNUJX-UHFFFAOYSA-N 447.561 1.152 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N1CCOCC1 1722509798 YKFDKYPLLWCVLN-VQIMIIECSA-N 427.509 1.011 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722726345 CMSYIXGTDRPMDQ-GJZGRUSLSA-N 432.612 1.794 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(N(C)C)CCSC1 1730841852 OEFRFDITPUBVHO-ATZDWAIDSA-N 426.562 1.881 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)nc1 1740616051 QWZXEJASZNCFHX-ICSRJNTNSA-N 426.521 1.351 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN2CCOCC2(C)C)CC1 1740697964 KKVCSRKJMUIYRT-UHFFFAOYSA-N 428.606 1.796 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740842477 BAIGDWIFFIKYCG-MRXNPFEDSA-N 443.552 1.589 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2COCCO2)C1 1740983814 QIAYMSUWUPALES-CVEARBPZSA-N 433.534 1.466 30 10 IDEE Cc1cccc(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1742143443 USGWTJHBFPFSBY-YGCDDZCOSA-N 435.488 1.832 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1746540739 ZKFAWRXHVPRPMZ-IRXDYDNUSA-N 434.522 1.551 30 10 IDEE CNS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(C#N)c1 1748299435 LIFJZJQOQIAEOT-HNNXBMFYSA-N 448.459 1.886 30 10 IDEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1748735356 PQRLPSXOQHBWAP-UHFFFAOYSA-N 444.967 1.897 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1748752290 URKAKXDHPPCNCA-ROUUACIJSA-N 431.566 1.643 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCOC 1748887104 TWDSABSTBFMEEU-UHFFFAOYSA-N 447.543 1.233 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1749488438 KPPFFBJXWMNOKC-QGZVFWFLSA-N 439.582 1.440 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1)C1CC1 1749519253 HNALGQRQCGMMSS-SFHVURJKSA-N 443.573 1.694 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(=O)NC)CC1 1749683253 NJEALIJCQAPUCU-YLJYHZDGSA-N 446.596 1.851 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(CC)CC2)C1 1749692899 CSEPDERMPHMBLI-RTBURBONSA-N 433.601 1.224 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CC1 1750141871 TUYZPNAOKVISJE-IRXDYDNUSA-N 437.566 1.709 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCN2CCC(O)CC2)n1 1751841782 DRGWOFOGKLELJU-UHFFFAOYSA-N 426.569 1.727 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760143716 PJZCAZOSJJJKII-UHFFFAOYSA-N 428.537 1.003 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760160494 FPTPHVCDYCNKOP-WMZOPIPTSA-N 444.559 1.612 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760187036 SUJLVNXEYAAXGX-PMACEKPBSA-N 446.573 1.465 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CS(C)(=O)=O)CC1 1760198876 KRXZETRZGARBJD-UHFFFAOYSA-N 440.525 1.614 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1760232753 DEDQXWRPQPZMFK-GOSISDBHSA-N 429.546 1.378 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760407630 JOAFDLCOHLEAKC-OAHLLOKOSA-N 426.587 1.537 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1760527188 OMHBNYQRFYXGPS-UXHICEINSA-N 425.533 1.750 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2OC)CC1 1760529568 BAHHUDHPKZASRV-LJQANCHMSA-N 426.521 1.767 30 10 IDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760533197 CHOMEPHIYSBYDG-GOSISDBHSA-N 426.521 1.984 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1760566369 SATBFYWCQJLBGB-SJORKVTESA-N 444.623 1.730 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1760772314 ZFERVWYERCNXNL-HXUWFJFHSA-N 431.472 1.753 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1761356933 RNAOCSCYYUGTHY-CVEARBPZSA-N 439.511 1.608 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)COCCO1 1761569336 KDYWAMVEUKWRSD-JOCHJYFZSA-N 440.504 1.093 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCO)CCOCC(F)(F)F 1768452993 OVLWHBSQOYQYLM-UHFFFAOYSA-N 440.426 1.283 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(CCc2ccccc2)n1Cc1ccc(C#N)o1 1768588782 KNJQXEQFLBPSIL-UHFFFAOYSA-N 434.500 1.871 30 10 IDEE COc1cc(C(=O)N[C@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc(OC)c1OC 1772790119 JICSVVKISUIZQF-LLVKDONJSA-N 428.397 1.585 30 10 IDEE C#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 1851091591 FLPDHGMCXMLWIB-UHFFFAOYSA-N 429.995 1.970 30 10 IDEE C#CCOc1cn(CCCN(CC)CC)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870562189 UUYJKCXZARUEPB-UHFFFAOYSA-N 438.576 1.704 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)ccc1OC 1874432506 JNBJWACTMKMWOT-LSHDLFTRSA-N 434.522 1.432 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN3CCOCC3)SCC(=O)N2C(C)C)cc1 1889265542 ZJDPJRVNFCJCGM-FGZHOGPDSA-N 445.585 1.541 30 10 IDEE C[C@H](c1cscc1C#CCO)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130034853 XQYNRCLQIWOBEP-CQSZACIVSA-N 432.523 1.711 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)ns2)OC1(C)C 2247832997 YZWNBHVBTJRTOY-INIZCTEOSA-N 433.261 1.725 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255525855 KNAUDDHOLPSUFP-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CO[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255650136 NVLUUQADOMCPLO-GJZGRUSLSA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255848072 WCHPSSIYLMOEFP-KGLIPLIRSA-N 436.314 1.536 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 2255875972 HUXIHXLGUNJTQG-KRWDZBQOSA-N 425.342 1.509 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256938285 RZIIZFWBTIWFTR-QGZVFWFLSA-N 428.294 1.894 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267119765 ZZYVTOREDDFHAK-FUHWJXTLSA-N 439.369 1.755 30 10 IDEE CCc1nn(C)c(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267144843 BRUUBWSDPCRANH-DZGCQCFKSA-N 448.373 1.925 30 10 IDEE Cc1ccnc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2267157980 DZIFDQAUDAXSIP-QWHCGFSZSA-N 439.243 1.677 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2CC[C@H]21 2267194003 ASQQJEMNYQIZPI-HZPDHXFCSA-N 444.341 2.000 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 2267266171 NLPXQQUURWFZCJ-UONOGXRCSA-N 447.345 1.338 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267271115 PZUJQDOKTPVKDJ-SJORKVTESA-N 447.341 1.745 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](O)C(F)(F)C3)cc2Cl)OC1(C)C 2282846367 IORURNUDOIUZBQ-VIFPVBQESA-N 429.703 1.701 30 10 IDEE COc1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1OC 2329054559 SZMKHXRHMAWRRS-HNNXBMFYSA-N 433.534 1.986 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2334263813 LUDJNICJAPHJKD-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2337204858 QOCCMWXLXIITQX-RCDICMHDSA-N 446.357 1.849 30 10 IDEE C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 12785343 VZIBPJLTESCTLI-TZMCWYRMSA-N 449.558 1.584 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(Cl)ccc3O)n2)o1 59880546 IDSRGRHOUWZBST-KPSZGOFPSA-N 436.885 1.964 30 10 IDEE N#Cc1cccc(N2CCN(c3c(F)cc(S(N)(=O)=O)cc3Br)CC2)n1 428182957 LIMWWFXPZDJEGV-UHFFFAOYSA-N 440.298 1.829 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2Cc3cccc(O)c3C2)CC1 429128334 NCJBTRHLZDYBFC-KRWDZBQOSA-N 426.498 1.447 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)c1C#N 460887120 YNLIOXYPHHKLBX-KRWDZBQOSA-N 425.518 1.745 30 10 IDEE Cc1ccc2nc(CNC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)[nH]c2c1 466752412 FUWQHCGRMBIZDW-UHFFFAOYSA-N 438.513 1.959 30 10 IDEE N#Cc1cccnc1N1CCN(CC#CCN2CCN(c3ncccc3C#N)CC2)CC1 472775580 VZPNJKUJLYYZOE-UHFFFAOYSA-N 426.528 1.168 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 475648437 UIVSLJSOJMTRJA-SFHVURJKSA-N 436.534 1.395 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)C1=O 482021955 VMSNJSQAJDULNR-HKUYNNGSSA-N 426.473 1.066 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 482155945 HAXYIMZZEFMFRD-IFXJQAMLSA-N 444.488 1.628 30 10 IDEE COc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n1 498410401 AKONXTAURYCIEL-UHFFFAOYSA-N 429.502 1.525 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 506120285 BOXWXHAGFMYJFG-AWEZNQCLSA-N 439.501 1.510 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N2CCC(C)(C#N)CC2)c1 506702960 QPMTVOCZZBSWQV-UHFFFAOYSA-N 435.550 1.931 30 10 IDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508923871 WZILVFMPTNDVCG-SFHVURJKSA-N 435.488 1.397 30 10 IDEE CCc1c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513810985 KPUUBYLVUQLQDO-LJQANCHMSA-N 446.511 1.217 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)CC1 524496897 DNIRACDDQSQVGN-QFIPXVFZSA-N 443.592 1.852 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](OC(F)F)C2)CC1 611579849 XHFRTWJRFWNHQP-MRXNPFEDSA-N 442.488 1.095 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 730141250 IUGLHEGTRYZGGQ-DOTOQJQBSA-N 433.578 1.519 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2cccc3ccccc23)CC1)[C@@H]1CCS(=O)(=O)C1 731213653 LCIFMMYQMBCQNE-JOCHJYFZSA-N 439.581 1.606 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(F)cc1Br 734496408 PKLAEOROEHKXEW-LLVKDONJSA-N 446.298 1.736 30 10 IDEE CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CN(C(=O)OC(C)(C)C)C1 756610590 PIYMBJQGMRLZPY-UHFFFAOYSA-N 432.525 1.445 30 10 IDEE CC(C)CN(C(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)[C@H]1CCS(=O)(=O)C1 757703786 JLXWLYCKJRLHBK-KRWDZBQOSA-N 435.502 1.367 30 10 IDEE Cc1nnc(N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C#N)c1C 770258429 NFSZCBIPRZENSA-UHFFFAOYSA-N 429.525 1.760 30 10 IDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 770276132 URSAHJWGPPQGBN-HIFRSBDPSA-N 441.481 1.958 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H]2CCOC2)cn1 784125202 NMXOFPKASPBTTJ-NVXWUHKLSA-N 436.582 1.329 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 789324886 WWMGILZMIZQRQF-IBGZPJMESA-N 425.533 1.829 30 10 IDEE Cn1cc([C@@H](O)C[C@H]2CCCN2CC#CCN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cn1 792870377 HOHGRHURXBAHCV-NVPYSNMXSA-N 440.592 1.633 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2)CCN1C1CC1 802321973 UMOXRJPAOZLGRY-AZUAARDMSA-N 440.573 1.599 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 805784833 SXUJUBBKAJMWCP-ZVDOUQERSA-N 448.589 1.302 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)n1 806461114 PEDTYQKPYRROBX-INIZCTEOSA-N 429.502 1.883 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(F)cc1 812937399 ZLKBGQRUCQKIKA-GOSISDBHSA-N 426.473 1.976 30 10 IDEE CCN(CCC#N)C(=O)COC(=O)CCN1C(=O)COc2cc(Br)ccc21 919148585 OWJPCPIVSZBCOY-UHFFFAOYSA-N 438.278 1.870 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)cc1 1125155779 OUNQWKWUQOJAGC-OAHLLOKOSA-N 431.518 1.608 30 10 IDEE N#C[C@]12CN(C(=O)/C=C/c3ccc(I)o3)C[C@H]1CS(=O)(=O)C2 1134428831 CLCXWCMIWIAVSP-ONJOJOEASA-N 432.239 1.294 30 10 IDEE CCOc1ccc(C(=O)N(C)C)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1137153631 GVXVSTFMAHHEFE-UHFFFAOYSA-N 430.486 1.576 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1cc[nH]n1 1142103854 WSVCCWQWHSGEFI-UHFFFAOYSA-N 433.431 1.569 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)C1 1143720273 QYWHGZHZEGLYPH-INIZCTEOSA-N 433.472 1.991 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1151604328 KGRXBBMMCPPUBT-LJQANCHMSA-N 448.545 1.693 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc3c2CN(C(=O)OC(C)(C)C)C3)C1=O 1166093586 JYXUGCVYRGHDGX-UHFFFAOYSA-N 428.445 1.853 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1OCCN1CCOCC1 1225104927 FRDISYXZGHIFDC-UHFFFAOYSA-N 431.533 1.884 30 10 IDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286350442 DIVROPAREVONBJ-QGZVFWFLSA-N 426.908 1.083 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1286359124 QQSGAEHLHRJRLW-GOSISDBHSA-N 449.515 1.970 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1OC 1286373539 HCQYQPZWBWQYAT-UHFFFAOYSA-N 448.531 1.982 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(CCCCC2)O1 1286399219 BOCXOFGEDKBHBP-ZWKOTPCHSA-N 433.578 1.843 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(F)c1 1286411049 XZGJGRZIKGLSJN-IRXDYDNUSA-N 430.505 1.860 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286601506 LKJQJIICRPHUJX-ULQDDVLXSA-N 432.525 1.345 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286606686 YDBHKDCNQBWIPA-HNNXBMFYSA-N 446.581 1.562 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCCOC)CC1 1286646351 QHGOYVMNHZRSCL-GOSISDBHSA-N 447.561 1.805 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1286727432 PZBQPTMPBSAAKK-OAHLLOKOSA-N 443.570 1.643 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286786502 FGWGWGKZFOMEMQ-HNNXBMFYSA-N 435.488 1.569 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1286790977 RBTQZZKBKUJYDN-UHFFFAOYSA-N 438.532 1.834 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1286793815 MNGLIRSLTXLXMQ-SFHVURJKSA-N 426.521 1.744 30 10 IDEE CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290636677 RXQORFLFTODYMJ-HXUWFJFHSA-N 437.518 1.138 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCCO)CC1 1299288523 OVKHRJJMNAEGGB-UHFFFAOYSA-N 441.536 1.743 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300391574 QEDUWEQUJDAYQE-INIZCTEOSA-N 429.502 1.403 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc2c(cc1OC)C[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1300484014 NYFOVJOLTBBCBB-KBXCAEBGSA-N 430.530 1.594 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300487912 NHDJBFZVTMYIQM-KRWDZBQOSA-N 444.561 1.129 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC[C@@H]1C 1300505657 DUTCVLYKEHFFGH-FQEVSTJZSA-N 434.544 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301490614 WLEGVVAOXGXNKU-OAQYLSRUSA-N 444.923 1.768 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1301503274 XPDRGWXNWZZNEL-UHFFFAOYSA-N 444.555 1.857 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 1301626194 XQNYBUOAIGHVGX-UHFFFAOYSA-N 427.526 1.970 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)C2)c1 1301633723 DIFNEPOBJQXQBV-UHFFFAOYSA-N 432.527 1.577 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)CCO1 1303003360 GPKHGAPFVPQYIX-GJZGRUSLSA-N 437.472 1.430 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1303628851 GFFHMFVGFVYMEJ-WMLDXEAASA-N 434.508 1.574 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 1310220271 PKYKXTNPGOCRDI-UHFFFAOYSA-N 431.489 1.976 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1313191162 QZRMLWNZUXSTTB-HNNXBMFYSA-N 436.509 1.198 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313481004 INPHVTWBWPYSEM-SFHVURJKSA-N 439.520 1.971 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1315251150 IFLKVRSCRKRRAZ-HXUWFJFHSA-N 448.549 1.283 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1315797851 GCHDKWPCMMICJQ-OALUTQOASA-N 441.536 1.427 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1315971168 PBFYVDVIOJYVMK-OAQYLSRUSA-N 430.509 1.923 30 10 IDEE N#CCc1ccsc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1348904117 UCJCZXJNGVBNGM-AWEZNQCLSA-N 439.540 1.532 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](COC)NC(=O)OC(C)(C)C)c1 1357767002 KNHKABREJSOVGV-IBGZPJMESA-N 445.516 1.399 30 10 IDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358951204 NAIDCVIWWWQDPI-INIZCTEOSA-N 426.546 1.701 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1358964902 JURDDWIDURBVDK-INIZCTEOSA-N 445.574 1.217 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1358979805 YGVSCDDXLYPDDN-OALUTQOASA-N 449.577 1.033 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CC(OCC)C2)CC1 1359044818 PEQWRCJLYCRUJI-HGCBZUSOSA-N 445.564 1.068 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359048618 WUSLHPIQJYJBKL-PKOBYXMFSA-N 448.637 1.720 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359052538 INXWCBBEGJWPBX-SFHVURJKSA-N 449.602 1.838 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCOCC1 1359073049 AWBNTAALRZFVCX-HXUWFJFHSA-N 429.546 1.803 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1359140683 IYINHJXGPFWQMW-JKSUJKDBSA-N 438.960 1.634 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359152723 GVGLIXIZWNCRBE-UHFFFAOYSA-N 444.927 1.868 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359183507 MSLHAOKFQHPINB-IHRRRGAJSA-N 427.527 1.605 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1359274489 OVZWCSFUGXGJBI-DEOSSOPVSA-N 438.576 1.816 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1359298663 IIKZDTPXYDAPBL-UHFFFAOYSA-N 440.523 1.878 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1359330451 RZKZEDKLYMROIH-UHFFFAOYSA-N 448.593 1.768 30 10 IDEE CC(C)(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1359525277 YDABOXWOMZQUDQ-FMVUODCNSA-N 444.536 1.907 30 10 IDEE C#CCN(C(=O)CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1359871306 LUXUYBDVYCNREI-CQSZACIVSA-N 448.360 1.262 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1360345388 HACVFCJRFHQLEL-YCRPNKLZSA-N 428.493 1.533 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1)N(C)C 1360584744 ZLLKMSQYOVMIHB-SFHVURJKSA-N 447.547 1.795 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)c2)C[C@@H](C)O1 1439728134 UQLKZYCLWRQNJS-CALCHBBNSA-N 448.541 1.962 30 10 IDEE Cn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)cn1 1463509523 GFSPDTGIXJDMJT-IZHWHUGBSA-N 443.348 1.549 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(c3n[nH]c(C)n3)CC2)cc1OC 1469705048 RSGIXTBYDYTKFQ-UHFFFAOYSA-N 430.509 2.000 30 10 IDEE C[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)N(C)C)c1 1473309884 YTQUMWBNJPAKSH-MRXNPFEDSA-N 425.510 1.887 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 1473780062 UPRZHIGOGQLBRB-JKSUJKDBSA-N 432.487 1.399 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nc4c(s3)CCC4)CC2)cc1 1479317050 HQPGKEAEPPJXDM-UHFFFAOYSA-N 431.543 1.720 30 10 IDEE CCOC1CC(O)(Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1502964506 OAKXDUMSWHBLEP-UHFFFAOYSA-N 439.564 2.000 30 10 IDEE CN(Cc1ccoc1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1503507645 QQYJJEIXKUYXPW-VXPUYCOJSA-N 439.476 1.156 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)cc1 1504230104 BMYOCPJKTITWTR-INIZCTEOSA-N 434.447 1.182 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1COCCO1 1504884969 GTICZJSPFRDUFY-KRWDZBQOSA-N 429.477 1.498 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1507616524 KNHUTSLSIHVKBO-KKSFZXQISA-N 435.525 1.461 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1NC(=O)CC1(C)C 1507711336 UHZFWAINESLZGZ-OALUTQOASA-N 439.516 1.791 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1507750695 BZYBKTDRHQIJDL-JYJNAYRXSA-N 427.596 1.070 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507782808 AQTKHMNHBGGKDB-HNNXBMFYSA-N 441.374 1.639 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1507801797 YFGYGNFBCHFRIR-HNAYVOBHSA-N 429.525 1.131 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C 1507844969 UHPHKRLKHRCODH-IKGGRYGDSA-N 427.571 1.438 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)CC1 1507895864 DJMCNZJECQSOTN-OAHLLOKOSA-N 429.550 1.987 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507912279 SVYBITYBUCFEMI-GOSISDBHSA-N 433.516 1.566 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1508007131 SMFIVCYZSJLCOL-HNNXBMFYSA-N 438.579 1.375 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)OC)C1 1508138934 ASEYWZUQLLMATA-INIZCTEOSA-N 433.534 1.639 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519053860 MEEJFEOQIVKFSP-JOCHJYFZSA-N 448.575 1.962 30 10 IDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)CCOCC1 1531590840 KMKRXZMECPHDSM-UHFFFAOYSA-N 442.559 1.741 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CC(F)(F)F)C(=O)C3)CC2=O)cc1Cl 1532023690 KPUGNJZSAJWVBQ-GFCCVEGCSA-N 428.798 1.798 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3ccc(Br)cc3=O)C2=O)cc1 1538383198 CHUXOPUDWDIZGL-INIZCTEOSA-N 429.274 1.794 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1539124309 DSKOZKQUUAOBNM-LJQANCHMSA-N 442.545 1.532 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccnc1N1CCOCC1 1539272007 PDDNREYVRIRYLM-UHFFFAOYSA-N 427.512 1.617 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](C)C1 1539416682 RMWPFHNPXMOAAM-KURKYZTESA-N 439.582 1.133 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1539516822 DPBHJAXAWAVAOX-RDJZCZTQSA-N 449.602 1.993 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1540892571 ODTPDMDNPMUBDW-KSFYIVLOSA-N 433.503 1.995 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540915495 MBIAKSHSMYSMEX-OAHLLOKOSA-N 435.598 1.779 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCn1cc(CO)nn1 1541362850 AUXFZKIWOSPKRI-UHFFFAOYSA-N 435.536 1.774 30 10 IDEE CC(C)OCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1541764744 QMPRWVSFSOMGCG-FUHWJXTLSA-N 426.525 1.931 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1541803467 IOCSIYYSMBZOIM-CRAIPNDOSA-N 449.533 1.590 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)s1 1544960279 BDGMESLHOBAYRE-UHFFFAOYSA-N 445.526 1.678 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC[C@@H]1CCOC1 1546527915 VGEHEUCHMPBYJX-SFHVURJKSA-N 442.568 1.524 30 10 IDEE CN(C)S(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1552888969 AHDSJJKMIKZROK-HXUWFJFHSA-N 445.524 1.684 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)(COC)CC1 1554503184 AJAUZQCUXATKTD-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)C[C@H]1O 1554545810 SXGPRDDGXCHYPW-UTRMSSBJSA-N 425.489 1.602 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)cn1 1555568819 DTHXPGLISPRWOS-INIZCTEOSA-N 434.504 1.375 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1560175844 GCIRQQTZLNZICE-MRXNPFEDSA-N 440.504 1.255 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 1565219950 NMIXAQBUMIQLOZ-UHFFFAOYSA-N 430.530 1.867 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCSC[C@@H]3c3nn[nH]n3)C2)C1 1567809315 UPYUFMAYXDQHRV-IXVUQVCVSA-N 433.538 1.603 30 10 IDEE C#CC[C@]1(C(=O)NCC2(N3CCOCC3)CCOCC2)CCCN1C(=O)OC(C)(C)C 1584532581 VCQQCZYMLUCOLM-HSZRJFAPSA-N 435.565 1.777 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1585656407 SZNPYEFJCNHIAN-JIEALELQSA-N 438.571 1.252 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@@H](C)C1 1587598649 DOGUVVBDEPYNHP-OALUTQOASA-N 449.563 1.880 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1588045501 LYERAOPOAZWYCE-SJORKVTESA-N 431.562 1.531 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588053249 BRTGDDSUMFFTAW-MOPGFXCFSA-N 446.577 1.394 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1588800463 HREVHBHEPZSCMJ-NRFANRHFSA-N 436.608 1.369 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1588806524 UGAIFEJOBLMKRF-SFTDATJTSA-N 435.576 1.596 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)CC1 1588857212 KUCPQNGTMHTQIO-UHFFFAOYSA-N 439.560 1.369 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1595545619 ZMFRUXGWMYCONC-OAQYLSRUSA-N 439.499 1.196 30 10 IDEE CCC1(Cn2cc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)nn2)COC1 1596420333 OQVHHDMDQQORQP-PTGBLXJZSA-N 446.533 1.770 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1606825593 AVQHDRKSSCAXAL-QFIPXVFZSA-N 426.521 1.852 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1 1607471736 VGKJYDSZWPUVOW-KRWDZBQOSA-N 433.530 1.727 30 10 IDEE CC1(C)C(=O)N[C@H]1C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1618148101 SIRDQOSZBOUZKL-UNMCSNQZSA-N 441.551 1.771 30 10 IDEE COc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1619302035 GUHFAOJBKAHSBF-MAUKXSAKSA-N 428.493 1.621 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(C3CCN(CC)CC3)CC2)c1 1626775760 FVVLWUWEXQSVCI-UHFFFAOYSA-N 432.590 1.230 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ncccc3S(C)(=O)=O)C2)C1 1634769390 FBKRCEIRVZIDEJ-DBWCEAHUSA-N 448.545 1.888 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)C2=O)cc1 1635701997 YMFHJKNVKBLHKS-INIZCTEOSA-N 447.417 1.764 30 10 IDEE C#CCN(CC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)C(=O)OC(C)(C)C 1636579903 UXYQTVVVLSVHTK-VQTJNVASSA-N 440.544 1.572 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2c[nH]nc2I)C1 1638203679 UONBOMAYTOKYRA-WPRPVWTQSA-N 431.234 1.503 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)Oc3cc(F)ccc32)cc1 1639643625 DRWFVPXGUGLMDD-SFHVURJKSA-N 432.429 1.318 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1643814321 IBITXXBVNSJLAN-IRXDYDNUSA-N 434.562 1.499 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1646449512 ASFCMTCAHISZCV-KRWDZBQOSA-N 443.525 1.796 30 10 IDEE C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1c1cnccn1 1648664668 DMZPZXQADRNYBG-GHTZIAJQSA-N 437.523 1.535 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 1648885304 XGVJQIVITDNGIP-UHFFFAOYSA-N 440.529 1.417 30 10 IDEE COc1ccc([C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)c2cccc(S(C)(=O)=O)c2)cc1 1655191245 CBXABYYZAUQIRR-GOSISDBHSA-N 440.481 1.559 30 10 IDEE COC(=O)[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1655704986 WUCHBCWCXIFIHR-MSOLQXFVSA-N 445.516 1.640 30 10 IDEE C[C@@H]1[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1673783356 CPGPIRFSVTZGQQ-GJRWTSMGSA-N 426.539 1.354 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@@H]2C1 1676445354 VMHCBAOEZPYGAX-RWQQGDIJSA-N 446.529 1.162 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](N4CCOCC4)CC3)C2=O)cc1 1682226018 AOFCMHARAKMSGZ-NHCUHLMSSA-N 425.533 1.555 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc2c(c1)OCO2 1690029609 FETOYUJNQRVYFQ-UWJYYQICSA-N 438.484 1.883 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1690037246 RLSWMLGYXQQJFS-VGOFRKELSA-N 442.541 1.351 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCn2cnc3ccccc32)CC1 1690111984 OALPXEDMIJMPJA-LJQANCHMSA-N 437.548 1.807 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2ncc(C)s2)CC1 1690130819 NFJWCURXXSHNGK-MRXNPFEDSA-N 427.578 1.724 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1690154494 PALTUGCBVKJYSN-UHFFFAOYSA-N 430.578 1.329 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690472755 VCEBDPFTANKSQR-HZPDHXFCSA-N 426.587 1.548 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](COCC)C1 1690672282 NSSOZOBMPRYUTD-APWZRJJASA-N 427.505 1.956 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)CC2)cc1 1690678334 SMPXKNMWFAUXDZ-UHFFFAOYSA-N 429.546 1.696 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693759694 LYURXJMNYXGKNA-MKGLYBCASA-N 444.536 1.702 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1694457737 WUFXWJLVSVXEAS-GNDBUYPCSA-N 437.504 1.872 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS2)CC1 1695929853 AAHHMRGAYOPXBO-LJQANCHMSA-N 439.589 1.970 30 10 IDEE COCC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCCC1 1697798507 SJJPIKWLUVVSSB-JKSUJKDBSA-N 440.570 1.214 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)COC)CC1 1705515008 QKTDRNJKTGSSNJ-UHFFFAOYSA-N 442.520 1.541 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1705613404 ZMSOFWZJFWEBBI-CQSZACIVSA-N 425.461 1.684 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCOC)cc2)CC1 1705637630 FOTHCASMQJXZMC-UHFFFAOYSA-N 435.532 1.507 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ccnn2C)CC1 1705652954 TUJXFBSMLYDGBT-UHFFFAOYSA-N 427.578 1.998 30 10 IDEE COCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712619926 WPCDQMQNOAZGRE-KRWDZBQOSA-N 442.568 1.906 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1712875424 CBRHQIMQQIIVNH-PJIJBLCYSA-N 441.458 1.027 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1722293894 DYJFMPAUBMUPJV-UHOSZYNNSA-N 447.561 1.457 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722332806 OZECPVWBEZSMMB-KFWWJZLASA-N 449.499 1.659 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722361132 LKQAXAJLUJVPGO-LJQANCHMSA-N 436.541 1.913 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1722438369 WVTJZWLZVXLKPO-HSZRJFAPSA-N 436.604 1.847 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722460220 WGUJJEHLYANEQE-SFHVURJKSA-N 434.610 1.139 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(=O)NC)CC1 1722703588 CKBHGIRQKVSCJV-UHFFFAOYSA-N 443.577 1.642 30 10 IDEE C=CCOc1ccccc1Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)NS(C)(=O)=O 1722708474 VDBMXCORJYOTQX-AWEZNQCLSA-N 431.522 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOCC2(CCC2)C1 1722729030 DCSKOVMBTQGMMB-UHFFFAOYSA-N 431.562 1.872 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1722732660 NJGVPWLBPCVURI-YJBOKZPZSA-N 429.612 1.814 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1723885982 GBESXHABCMCTDP-HNNXBMFYSA-N 446.533 1.528 30 10 IDEE C[C@@H]1COCCN1c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1726748315 FUQWCYZVSTWINZ-WGLILOHCSA-N 440.479 1.760 30 10 IDEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740578434 IPTRUUHVRRKXEK-GCJKJVERSA-N 430.553 1.678 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1740627003 DNBMTCYKYHUMKW-IBGZPJMESA-N 446.573 1.717 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1740627973 UUIMGQJWVZMPRU-QGZVFWFLSA-N 447.561 1.564 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCCCC2)CC1 1740692200 FUCARKLJSLAELK-DEOSSOPVSA-N 444.624 1.950 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740707102 OVHBHKXWXFTULQ-KOSHJBKYSA-N 436.560 1.781 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1740709770 RDEZXEIYSAYNIW-GJZGRUSLSA-N 429.612 1.506 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740858084 IEINODVEIFPJCC-CVEARBPZSA-N 447.627 1.648 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1740932707 UMPWKJAUKZSXMP-HOTGVXAUSA-N 427.596 1.543 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1741129833 ICNXEYMNCIQGNZ-MRXNPFEDSA-N 449.515 1.961 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)[C@@H]1C 1743173743 AKCXLAZXGZTDEA-IAGOWNOFSA-N 444.561 1.999 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1745139882 GGJGOWNQUMKRGU-UHFFFAOYSA-N 433.520 1.879 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCOC(F)F)cn1 1748011633 CIZZODTVOOQFGA-UHFFFAOYSA-N 443.462 1.901 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCNC(=O)c2cc[nH]n2)c1 1748693063 XAYALSMKJOYGCJ-UHFFFAOYSA-N 432.488 1.365 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(O)CCSC2)c1 1748694956 VNUGLAZIJBRIKD-OAQYLSRUSA-N 429.546 1.739 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 1748814958 MBUBHGXSFUBBOC-QGZVFWFLSA-N 445.545 1.633 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1748818400 ZLLJKFAHYRYYEJ-CVEARBPZSA-N 435.575 1.612 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1748824861 KXPLFTNGSQEDSA-LJQANCHMSA-N 435.532 1.355 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)COCCO1 1748956531 GFPCWIKQBLVKGQ-QFIPXVFZSA-N 430.505 1.854 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C1CC1 1749067432 TVLAYVVLAOJRHL-SQGPQFPESA-N 437.566 1.028 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749133985 SLHGSCGPUPUGTA-LNLFQRSKSA-N 431.562 1.863 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749411557 AKTRBDSQEOMMDF-IRXDYDNUSA-N 426.587 1.156 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1CC 1749532175 RSWHEYYYLGPGSL-GOSISDBHSA-N 431.504 1.953 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749677517 BNOPNAYGQSYHET-QGZVFWFLSA-N 447.561 1.399 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2cccs2)C1 1749693693 LZBHFZHTJDRDCP-HNNXBMFYSA-N 432.550 1.689 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749741188 SKTBDEPFMHBUOA-FQEVSTJZSA-N 443.533 1.876 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760150384 MLBIAYGIVDKUNJ-IBGZPJMESA-N 431.500 1.997 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1760163315 RPWNUDRHZIQPOP-OAHLLOKOSA-N 430.534 1.133 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)C 1760196551 JFZUKDIZAXYUOV-UHFFFAOYSA-N 427.530 1.336 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1760264495 QGGKIGPEIYKDEP-NQIIRXRSSA-N 443.523 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](SC)C(C)(C)C)CC1 1760268600 MHFGAZMBQSIAFD-IRXDYDNUSA-N 446.621 1.973 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2noc(CC)n2)CC1 1760273430 UGUFIGRTWBEIDV-MRXNPFEDSA-N 427.509 1.284 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760425797 VWEPUMVLFZKEHA-IAGOWNOFSA-N 435.536 1.962 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1760523096 MCJSHDYVDNGTBM-PBNKOMEISA-N 441.561 1.916 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760524260 TYMUADFTEGJGRS-PMACEKPBSA-N 445.612 1.079 30 10 IDEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1765326723 ARNTWOPNDOOAAM-ARJAWSKDSA-N 432.492 1.118 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767235457 ZMYFNGLBVUPYAA-SFEXGQDGSA-N 444.536 1.561 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1767852358 GZYIHKBCQCTMMS-KSZLIROESA-N 430.534 1.075 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1768139955 LJUAYTORAWOTPW-SFHVURJKSA-N 446.577 1.961 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1770137118 HOYXMOIAKDXKMC-RBUKOAKNSA-N 438.532 1.715 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1771356249 CLXLRFQPMULUGN-GOSISDBHSA-N 442.545 1.453 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1772566615 LRDRMTDSQPYIMF-LSDHHAIUSA-N 429.550 1.680 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)CCn3nc(-c4cccnc4)ccc3=O)CC2)CC1 1848958965 JRHPNMZVZYIEDF-UHFFFAOYSA-N 448.527 1.696 30 10 IDEE CN1C(=O)C[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)[C@H]1c1cccs1 1851895305 UJRINCYIHFUKPJ-XLIONFOSSA-N 439.541 1.900 30 10 IDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1855267198 OGKZVDOZNYUKHV-MRXNPFEDSA-N 431.514 1.270 30 10 IDEE C[C@H]1C(=O)N(C(=O)CN2CCC(F)(F)CC2)CCN1S(=O)(=O)c1ccccc1C#N 1855737980 NSNHOGSGJUPCOT-AWEZNQCLSA-N 440.472 1.037 30 10 IDEE CCS(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 1858452957 MNFILPQHFXCMNT-UHFFFAOYSA-N 435.531 1.226 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 1862756411 ODWMQVVLUGXDPX-GOSISDBHSA-N 426.381 1.937 30 10 IDEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870460741 KUHASWFFYVKSOJ-UHFFFAOYSA-N 432.565 1.726 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCOC)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871505783 ATRLYZFJAZUCST-UHFFFAOYSA-N 433.538 1.311 30 10 IDEE C=CC1(NC(=O)C(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022804744 SXTHGYZDQDGPKE-UHFFFAOYSA-N 447.479 1.895 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)c1 2040470081 CTCHMVMGMDXOJI-JOCHJYFZSA-N 428.510 1.849 30 10 IDEE NCC#Cc1csc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2089788080 GARZMXOXTMYMNJ-UHFFFAOYSA-N 431.539 1.554 30 10 IDEE N#Cc1cc(F)c(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)cc1Br 2174810510 NHBIQVJMOMFVDV-DTWKUNHWSA-N 437.191 1.819 30 10 IDEE CC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243666902 DAVVYEGYRLYSMY-SFHVURJKSA-N 426.348 1.891 30 10 IDEE C[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2243678603 LOPKQGGCOFHXKV-NSHDSACASA-N 426.348 1.843 30 10 IDEE CN(CCOCc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247880792 LOPVPHZXGQODLQ-UHFFFAOYSA-N 435.355 1.557 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2255526463 UDLRRAGRRICOMZ-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627275 QJKSEXKIRWLHHZ-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c1B1OC(C)(C)C(C)(C)O1 2267014452 YWZSCIFDGHMXOZ-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE CC1(C)OB([C@H]2C[C@@H](C(=O)N3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)C2)OC1(C)C 2267118179 IYSPKKZBJGGNHW-WUHRBBMRSA-N 447.263 1.240 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267140196 OLUPJVRQPHRQBM-UHFFFAOYSA-N 448.329 1.171 30 10 IDEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267274126 VWEGKLLMANMUHU-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE COc1ccc(C=C2Oc3cc(OCC(=O)N4C[C@@H](O)C[C@H]4C(=O)O)ccc3C2=O)cc1 2297475465 ZXFAGVPNRLZYRK-KSSFIOAISA-N 439.420 1.737 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)n1 2334272497 RMHRCLRDOHRAAW-IHRRRGAJSA-N 447.345 1.242 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2337198254 HLYCYTBWYHLAPU-CQSZACIVSA-N 446.357 1.849 30 10 IDEE CC(C)(C#C[C@@H](N)[C@@H](O)c1cc(Br)c(Br)o1)S(C)(=O)=O 2365208579 SQBPJRMDHZFCGX-PSASIEDQSA-N 429.130 1.992 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 111010245 DAZSQWHHZKCLEJ-OAQYLSRUSA-N 447.605 1.843 30 10 IDEE N=C(N)NN=Cc1cc(I)cc(I)c1O 254812850 CJFFYQOSVYRZGO-UHFFFAOYSA-N 429.987 1.418 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(c3ccc(C#N)cc3Cl)CC2)C1 444777004 NPIPDMIRZSEIDD-IBGZPJMESA-N 433.984 1.807 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 484482969 FQNODQXUEJQASJ-LJQANCHMSA-N 439.468 1.828 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1Cl 501945690 DDKNFIIAALEPNH-UHFFFAOYSA-N 437.930 1.977 30 10 IDEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1ccnc1C#N 536312149 LEUUWQBMRJXQHM-UHFFFAOYSA-N 433.490 1.202 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 536793029 UHVPSHFHZQTAAE-AWEZNQCLSA-N 447.517 1.966 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1ccc(F)cc1 544639496 JZSYFLVGHQROKG-UHFFFAOYSA-N 438.440 1.504 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 549253088 YSGZSFGDBGQJQB-SFHVURJKSA-N 442.476 1.813 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2c(F)cc(C#N)cc2F)CC3)CC1 549701937 OYFMGSQCYHASET-CQSZACIVSA-N 442.470 1.413 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)CC3)CC1 550096568 TYADYXYOTZRGET-HNNXBMFYSA-N 440.935 1.788 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CC#CCN1CCOC[C@H]1c1c(C)nn(C)c1C 551396205 RWVMWTWUQLQVLD-VXKWHMMOSA-N 440.592 1.837 30 10 IDEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555266171 WOTOMHCWHPGFTF-UHFFFAOYSA-N 425.537 1.205 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 603801136 YRAPZNZLEQRUAS-AWEZNQCLSA-N 445.491 1.492 30 10 IDEE N#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(F)c1 609239388 JPAATKDNJSGCJI-UHFFFAOYSA-N 438.506 1.779 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCC#CCNC(=O)[C@@H](C)Oc1ccccc1C#N 614022023 JIXJYFFYPQKXRM-QZTJIDSGSA-N 430.464 1.901 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 679530654 KZLYYYNJJBQHRI-UHFFFAOYSA-N 425.507 1.127 30 10 IDEE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732152773 AOOCSMOIGUMCTD-UXKXULBWSA-N 442.560 1.986 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)c3ccc(F)cc3)C2=O)cc1 733853040 CMTDIHDEAUVNOU-MRXNPFEDSA-N 430.417 1.407 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C[C@@H]1CCCO1 753360124 UEHNVEIKSICXPS-HIFRSBDPSA-N 443.525 1.322 30 10 IDEE Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(F)(F)F 760657405 NTYFDJMFHNRDRT-SFHVURJKSA-N 437.426 1.359 30 10 IDEE C#CCN(C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 774211930 VXDOADZYJXMCIZ-WBVHZDCISA-N 437.537 1.680 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(Br)cc3)n(C)c2=O)cn1 788524074 UJQRLDGTQSIEJO-UHFFFAOYSA-N 443.326 1.812 30 10 IDEE CCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794594017 BMFALAFNYKPKHV-MRXNPFEDSA-N 436.537 1.856 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 809893183 LPQYKAVCQZJEOQ-MRXNPFEDSA-N 434.541 1.831 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2C[C@H]2CCOC2)CC1 812426969 PAHYKDOTFZOQCM-DYESRHJHSA-N 435.528 1.957 30 10 IDEE CN(C)c1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1084494324 HUQBBBZJWMZELS-UHFFFAOYSA-N 426.506 1.940 30 10 IDEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1-c1cccc(Cl)c1 1134645301 FZOBRZHDHHONHX-ORAYPTAESA-N 433.921 1.884 30 10 IDEE CN1CCN(CCCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1136188288 CJVWAQXFORKHPG-FVRICEFQSA-N 433.597 1.917 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc[nH]n1 1136473460 OFOPBZRBZIDOPU-SFHVURJKSA-N 441.488 1.043 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 1136596378 GBZWNPLQMHGOMT-LJQANCHMSA-N 430.549 1.901 30 10 IDEE C=CCO[C@H]1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1137799711 HQBFZJAOLOLQJW-LBPRGKRZSA-N 425.230 1.684 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1151861110 LTPFKVMPFBKAKY-ROUUACIJSA-N 435.569 1.729 30 10 IDEE CCc1ccc(CN2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)cc1 1197348623 HSXAONOLBCVOJX-UHFFFAOYSA-N 436.560 1.884 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1233850697 CTOKLBMSPIFSSR-PRXAMGSTSA-N 433.431 1.455 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1253779829 UMOOQTXNCBGCRU-LJQANCHMSA-N 444.557 1.988 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnnn1C 1286291092 VSLFQGPCODHMSK-HNNXBMFYSA-N 431.504 1.700 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286326397 BYJCKIINEOCVIB-OAQYLSRUSA-N 435.576 1.810 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286386249 XDQWXNWGEUTHOU-UYAOXDASSA-N 446.573 1.986 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1286448152 QKTMKSBPNJIINF-GOSISDBHSA-N 441.557 1.815 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(S(C)(=O)=O)cc1 1286467305 TYVUZRDLCUWTIE-UHFFFAOYSA-N 439.541 1.802 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1286580844 BVFSNMSUHCCQRC-KRWDZBQOSA-N 441.598 1.973 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286670798 JYUVAIMCRPWXLJ-INIZCTEOSA-N 426.525 1.418 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286706845 UZLRAWBQDCVLRC-CVEARBPZSA-N 425.493 1.233 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286710150 OCCYGNGLUHXFBV-FQEVSTJZSA-N 446.596 1.857 30 10 IDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1286733652 HAHBHIARBQJNKE-XLIONFOSSA-N 439.582 1.509 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1286779975 ZSMLSXMHHLLFMA-UHFFFAOYSA-N 438.532 1.696 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286783217 HGAOZNIBNTZAIT-LBPRGKRZSA-N 426.930 1.165 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(C)C)CC1 1286784457 IARCUTXIAJVNMC-UHFFFAOYSA-N 426.521 1.943 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1290978169 GHHSGICNBBXUIL-AWEZNQCLSA-N 428.518 1.061 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300499791 XBEYSHUAUPTORQ-LJQANCHMSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300519869 CLCPXFRWPFPSEN-JOCHJYFZSA-N 448.571 1.969 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C1CC1)N(C)C 1300535766 NEXNOGOJHVKNKE-OAQYLSRUSA-N 432.576 1.865 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)CC 1300647194 BUCQSSIGHJYFAI-SFHVURJKSA-N 449.552 1.890 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1301239044 KJCSYGOTZCBWIT-UHFFFAOYSA-N 440.548 1.971 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1301490601 BJPQUCVEPNHLIJ-HNNXBMFYSA-N 429.525 1.926 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1301585837 FOSHIPBKKBNDBG-IBGZPJMESA-N 441.561 1.940 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@H](COC)C1 1301589626 UYWRVANNQPSJSP-ULQDDVLXSA-N 428.555 1.361 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1301611283 ARQYOFZLBZYONA-OAGGEKHMSA-N 429.612 1.622 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1301952179 HVEGNEZQJBAPFD-PBFPGSCMSA-N 426.568 1.453 30 10 IDEE Cc1ccccc1-c1nnc(N2CCNC(=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1304537822 DYPXADOCSGBZOV-VZCXRCSSSA-N 435.488 1.106 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1nccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1311332998 QBTJKZUXXRNLTN-CQSZACIVSA-N 439.538 1.923 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 1311673071 GPIFVZZXSNSMCR-UHFFFAOYSA-N 436.534 1.704 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1nnn(C)n1 1314856550 KGGIAWIQNHTVCO-UHFFFAOYSA-N 434.508 1.131 30 10 IDEE COC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1315801568 AGWFKTWGPKDUKW-DLBZAZTESA-N 428.541 1.515 30 10 IDEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1315818677 IXVHUSCRFUUNSX-FZKQIMNGSA-N 439.492 1.665 30 10 IDEE COC[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1315945491 JWJAHHGMABMXMV-UAFUQJIBSA-N 444.536 1.389 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@H]1CCCO1 1339621277 BXQJRGQLKCTALV-LJQANCHMSA-N 435.549 1.359 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CC2)c1 1358901313 GSMNMLWRRKTXDG-QHCPKHFHSA-N 439.516 1.511 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1358949718 KWAHSORFVNAUFC-VFNWGFHPSA-N 432.525 1.134 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358959588 LWCQJTDCMXGHGQ-IIBYNOLFSA-N 446.529 1.462 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358960898 NXTICQMCOVCHDL-HTAPYJJXSA-N 445.589 1.852 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1358968858 ASGOVYQSTRZYKG-INIZCTEOSA-N 427.530 1.334 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2COCCO2)CC1 1359042969 BAIGBGJRJUXNED-KRWDZBQOSA-N 427.480 1.465 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359226396 DZJOEDPXJNOEJA-PKOBYXMFSA-N 432.569 1.511 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1359227539 DLYHTRFODYDRAL-KRWDZBQOSA-N 425.599 1.740 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1359322626 ZJYTXTIXCMYWLS-DOTOQJQBSA-N 437.566 1.020 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)N(C)C 1360542434 VXMCWBKOPHTCIV-IERDGZPVSA-N 428.562 1.782 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCc2cc(C)no2)CC1 1455115809 SAYWFEJXAWKVRY-UHFFFAOYSA-N 434.543 1.501 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CN2CCCC3(CC3)S2(=O)=O)c(=O)c1C#N 1457782369 XNOBJMSWAVPDCB-UHFFFAOYSA-N 443.323 1.128 30 10 IDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1-c1ccc2c(c1)CCC2 1459244829 ZRNABCWLPJHPTK-UHFFFAOYSA-N 446.507 1.962 30 10 IDEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)C1 1465872593 RVRSCZCYDONUNF-IRXDYDNUSA-N 432.546 1.551 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c1 1475578742 MMFULNVTWYOHRX-MOPGFXCFSA-N 442.541 1.796 30 10 IDEE CC/C=C\Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499826951 HKORWRUTJKLAQV-VQTKUKTRSA-N 428.518 1.681 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1503276784 CXKHKQIAIREHDH-MRXNPFEDSA-N 448.549 1.283 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1504957519 KQQMHKMDZRRZAT-IRXDYDNUSA-N 439.582 1.957 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505026910 CYKMIEFXRIIGEF-MEUCICPISA-N 441.492 1.041 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1505318382 MRXHCBVGRPGAFR-YWZLYKJASA-N 445.886 1.952 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507632123 XFFNCZNVLUVZCX-QZTJIDSGSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1507633514 GSLXPVMKFWTAGO-IBGZPJMESA-N 441.557 1.106 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1507636750 DAENIWCNHKOCSL-DLBZAZTESA-N 432.550 1.215 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CC(OCC)C1 1507667564 OJFXGGRUFYVBLF-UHFFFAOYSA-N 425.489 1.399 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507966458 ROLXXKKLCIVTQV-HXUWFJFHSA-N 446.596 1.857 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1508059044 LDYPCCWOKILAKZ-MOPGFXCFSA-N 447.561 1.765 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1508410168 DISNJEZLPJSAJA-AWEZNQCLSA-N 428.522 1.480 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)cc1 1515901356 DVGMGVPDJKBMMP-PMACEKPBSA-N 431.562 1.901 30 10 IDEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1519509920 OUPYZKMAALDTAM-IAGOWNOFSA-N 431.518 1.353 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1519519446 MOMNWFAJSXCGMW-HTXNQAPBSA-N 448.549 1.085 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1525109312 JWJBAFKTDSMIBB-NSHDSACASA-N 448.282 1.016 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1Cl 1535134484 UPJADRAKEOEEOG-CQSZACIVSA-N 436.855 1.977 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1536179275 GAIKDLOCQVEKRK-BNLOLNQZSA-N 425.304 1.712 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2nncn2C)c1 1539040090 LXSUUBIKZXVYEZ-UHFFFAOYSA-N 427.472 1.573 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1539178748 KBLZEHUAAUYKMA-GOSISDBHSA-N 433.534 1.150 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539249831 DLGUTOOGZJPELV-MRXNPFEDSA-N 432.937 1.490 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539324271 SHHXVXNRXOQYIL-QGZVFWFLSA-N 429.521 1.539 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CCS(=O)(=O)C1 1540747436 AQRKQFRLRFQWGD-CRAIPNDOSA-N 433.530 1.943 30 10 IDEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1546099296 AVOYWLFTYJCVLD-FQEVSTJZSA-N 448.549 1.283 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1555685840 APWKTZCLKWRXEX-AEFFLSMTSA-N 447.561 1.850 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N2CCOCC2)C1 1555985623 SELQFMUECRQWMR-OAQYLSRUSA-N 448.449 1.838 30 10 IDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1558714235 JLZOREUBBUWGGH-VYDXJSESSA-N 435.546 1.988 30 10 IDEE Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)C2=O 1559032680 DZRAGDJKRYWFLM-AWEZNQCLSA-N 435.436 1.884 30 10 IDEE C=CCC[C@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OCC 1569184166 LOTOIVBNMRHMLJ-CBUFDYBVSA-N 429.517 1.914 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588065139 VEAPKVQIRYOKJK-AZUAARDMSA-N 444.605 1.621 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1588575167 ZJLXUVIRSIOGGF-JTSKRJEESA-N 431.512 1.710 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2COCCO2)CC1 1588871537 HHKZZZMWHIFVNT-NRFANRHFSA-N 425.533 1.645 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1589109600 HBNRVPYQTVWUOH-UHFFFAOYSA-N 444.540 1.023 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOCC1 1589483690 PTTLIZIECBFEMH-MOPGFXCFSA-N 432.569 1.264 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cc2ccc(OC)c(OC)c2)cc1 1594932262 JRNDTYGGONHCLY-QFIPXVFZSA-N 446.525 1.339 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595569909 QQAJGDYJMFPSEY-MOPGFXCFSA-N 438.532 1.690 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC)C1 1595730715 YEQYPTHHDSURHO-IRXDYDNUSA-N 441.598 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595831499 RAWPSVMVWUOOND-DLBZAZTESA-N 425.555 1.083 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595838341 PCVXDLRLAYQBCB-OAHLLOKOSA-N 449.581 1.102 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CCOCC3)n[nH]2)c1 1596358948 LVHHHAQWNHVLCW-BWAHOGKJSA-N 446.533 1.693 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3Cc4nnc(C)n4C[C@@H]3C(=O)N(C)C)n[nH]2)c1C 1606789592 ZOHYTMSVXUDNMH-QGZVFWFLSA-N 437.508 1.089 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1609766359 BRBOAYSZRTZJPC-HXUWFJFHSA-N 448.531 1.833 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@]3(C#N)CC34CCCC4)CC2)cc1 1616822557 DBIBTEULYWTDBC-QFIPXVFZSA-N 446.573 1.737 30 10 IDEE COC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCC1 1619045515 BOAYHSVIISNCIR-HZPDHXFCSA-N 440.570 1.309 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1619422641 BEXIQKDZBRXGOB-INIZCTEOSA-N 431.518 1.183 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1620010075 WJSWUZBDFGKBPG-RJCBAWPRSA-N 444.536 1.909 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1620111501 WMGBXPFCVKPTSU-ISSKPRFKSA-N 425.555 1.278 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CCO1 1620356791 IUAVNNDPGWYSKR-OALUTQOASA-N 431.468 1.921 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(NCCN2CCOCC2)c(F)c1 1623197255 GXJIWYGNMDQNKN-UHFFFAOYSA-N 429.500 1.452 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N(CCO)CCOCC(F)(F)F)CC2=O)cc1Cl 1623373175 DVQJVLCLGMFEFV-ZDUSSCGKSA-N 433.814 1.964 30 10 IDEE CN1CCN(C(=O)N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1628340067 XUQPWBNMRPFVEK-KRWDZBQOSA-N 436.557 1.085 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)C(=O)OC(C)(C)C 1630314922 GPQVRIUCDZGRQG-UHFFFAOYSA-N 440.544 1.590 30 10 IDEE CCOC(Cn1ncc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1N)OCC 1632768779 JIDYDQVUKCCJGP-GOSISDBHSA-N 440.504 1.661 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 1636479431 AHAYHBAOMNIYDZ-UHFFFAOYSA-N 433.921 1.331 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)C1 1638397509 JNVTXGXTFZCGHA-HKUYNNGSSA-N 445.568 1.747 30 10 IDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCc2c(sc(N)c2C#N)C1 1639988950 ARYYDNUTCAKOOT-UHFFFAOYSA-N 433.559 1.914 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(OC3CCCCC3)c(Cl)c2)CC1 1644285236 LWBJYAOWEACWJQ-UHFFFAOYSA-N 440.953 1.672 30 10 IDEE C=CCn1cc(C(=O)N(CC)[C@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 1645523432 XLWJARFMDNBUDV-MRXNPFEDSA-N 434.541 1.784 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(Br)sc2C2CC2)CC1 1650848991 PSJAZHDCJXONEC-UHFFFAOYSA-N 433.353 1.008 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](O)C[C@H]3c3n[nH]c(CC)n3)ccc2c1=O 1653817175 JJTCELWDOAYTCG-DOMZBBRYSA-N 426.502 1.500 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1678140346 NPLFHXALAQDXGE-PKTZIBPZSA-N 444.576 1.805 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCNC(=O)C2CC2)c1 1689870158 DGVVAOHXIDFSKR-UHFFFAOYSA-N 431.500 1.856 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 1689902123 VLPSMFOYWMRMMB-UHFFFAOYSA-N 428.581 1.753 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1689946352 POZBJBKTBMLYMB-SJORKVTESA-N 446.577 1.493 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986305 MXIGZMWBUHJCFH-WMZOPIPTSA-N 433.578 1.971 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689986404 PBEALGZHXSCXHX-DLBZAZTESA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1689988476 PUTGYDGVFNISQA-WVDZOPJMSA-N 435.575 1.044 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1690001956 WAHXSLSANULHOJ-DVECYGJZSA-N 437.544 1.956 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1690008235 AXBYZEKHUKETQO-UHFFFAOYSA-N 431.504 1.156 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1690103304 BVDYIWDIIHSMOG-XMSQKQJNSA-N 425.489 1.355 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1690243562 MNNBXAHXWHBRLR-JXFKEZNVSA-N 428.537 1.986 30 10 IDEE C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690472576 QKBVHYLWAAXGMX-DOTOQJQBSA-N 442.495 1.670 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1)C1CC1 1690545006 HRIHGOYODTUUAR-KRWDZBQOSA-N 439.582 1.461 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1690993941 TTXMZUSFOVEKEZ-CABCVRRESA-N 432.550 1.857 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCN2CCCS2(=O)=O)C1 1692845001 BDTPBINRONRSBD-HXUWFJFHSA-N 429.550 1.429 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1695065278 NIDOLMWKBHFKRP-XSLAGTTESA-N 434.541 1.283 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1697025183 CUYMCPOWXKXCTB-GOSISDBHSA-N 448.549 1.283 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1705620318 QSUNJHGAXCGSRB-SFHVURJKSA-N 449.552 1.842 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CCCC2)CC1 1705631889 CYCMLPDCFZVOII-LJQANCHMSA-N 436.564 1.413 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(OC)CCOC2)CC1 1705643311 ALHPIWNLHBYZGQ-PWHSHALESA-N 431.581 1.757 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1705739319 BVFUGTPDAOOQIH-UHFFFAOYSA-N 430.553 1.442 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705798991 ICYVRJHRJFCHAK-PXNSSMCTSA-N 426.583 1.904 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1705886990 JXGFPQIMAMJRDI-OLZOCXBDSA-N 425.515 1.159 30 10 IDEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCOC1(C)C 1708272784 IELXHWPWWSFLNP-OAHLLOKOSA-N 448.549 1.282 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1709422616 HXWJJSUQTCOCLL-LJQANCHMSA-N 435.532 1.980 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@](C)(O)c2ccccc2)CCOC1 1710482625 HXCSQKBUIXMQRF-WWPVKYPJSA-N 441.532 1.957 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1722360949 CTVODKZXURQVFV-GOSISDBHSA-N 441.513 1.925 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCS(C)(=O)=O 1722403361 YWNGAGVOCVGICC-UHFFFAOYSA-N 437.953 1.756 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)C(=O)NCC)CC1 1722429880 UDOMMKGWJRAPER-UHFFFAOYSA-N 431.585 1.114 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722439606 IPLMFPZOMIBYEQ-UHFFFAOYSA-N 430.578 1.232 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)COC)CC1 1722441812 UXTZRZOSXHVRJY-MRXNPFEDSA-N 439.520 1.174 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)nn(C)c2C)CC1 1722566070 JAPMBCSMFFLBMV-SFHVURJKSA-N 449.581 1.166 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722700125 XNOOZLLBGXGQCO-LJQANCHMSA-N 439.495 1.622 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H]1COCCO1 1727003745 NPTHCXUVJRJDRT-AEFFLSMTSA-N 442.568 1.837 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[S@](=O)C(C)(C)C 1727602384 CQZVOZLMARNWMM-PMERELPUSA-N 432.598 1.628 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1729694118 ZMXSHPSKPZCLIW-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1729778941 POVWCXGQZGDGLI-JTSKRJEESA-N 441.488 1.534 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1730761564 YRDGZXCAGYILRA-LAUBAEHRSA-N 427.509 1.830 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1730900469 LYGXYHRDURXCKK-GOSISDBHSA-N 445.545 1.636 30 10 IDEE COCCOCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1730921697 DUTFXTZDQQSOBI-LPHOPBHVSA-N 429.477 1.572 30 10 IDEE CS[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1731038602 HKRLJAOUVCMTRH-XJKSGUPXSA-N 443.581 1.221 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1731184033 YTIWVUFCKIKSNN-KXBFYZLASA-N 433.513 1.519 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCC3)nc2)CC1 1740688474 GCPUWIDWGCCGOP-UHFFFAOYSA-N 436.564 1.215 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCS(C)(=O)=O 1741474220 FCBGBCMMXFYVJP-UHFFFAOYSA-N 431.566 1.505 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743757487 QOSGHACQXGGQJX-VXHFXFQXSA-N 438.536 1.495 30 10 IDEE CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1743878664 DPBOUWKOXYXRJZ-OXJNMPFZSA-N 448.531 1.984 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1748687331 IFPYABVQGZLZCX-SFHVURJKSA-N 440.548 1.488 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748812653 YQBJNMMFMPGBEN-OAHLLOKOSA-N 432.550 1.062 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1748822146 YXXFIFFYHMEULI-FXAWDEMLSA-N 434.587 1.827 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1snnc1C 1748969222 QUGWWSYFVLDLKC-UHFFFAOYSA-N 431.547 1.564 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)CC1 1748979360 YAIKVBGGKSKXJG-UHFFFAOYSA-N 448.980 1.389 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1748990591 JLECCCOYSNNJLH-JPYJTQIMSA-N 427.524 1.974 30 10 IDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749406111 AADZTXBIZIGNJJ-SFHVURJKSA-N 440.552 1.969 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1749724999 MPRIKJAIMKQECX-UHFFFAOYSA-N 435.525 1.679 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760137392 JHMPTNAHTOZGOG-KRWDZBQOSA-N 435.594 1.725 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1760192443 UOUNWRFUJUFPOG-GUDVDZBRSA-N 448.568 1.905 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1760300292 DECXCXHVOPYIFG-IUODEOHRSA-N 436.376 1.802 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760356501 OYVSFWCYZWTNIZ-KRWDZBQOSA-N 444.540 1.226 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)n1 1760456976 BMTAJSCWVZFFAN-UHFFFAOYSA-N 444.565 1.579 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1760464756 OGBGKQRJUVAJKY-GFCCVEGCSA-N 429.344 1.462 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760520176 DYCBBKVBMPDLML-INIZCTEOSA-N 427.440 1.656 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760525142 VVQGPXLTJIGITJ-ZDUSSCGKSA-N 441.504 1.319 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)S(C)(=O)=O 1765213354 SMJQAIJHYNSWBB-HDICACEKSA-N 446.533 1.050 30 10 IDEE CN(CCC(F)(F)F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768831066 OHSFUEHDFXRBNH-XQTVBXIXSA-N 428.415 1.697 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOCC2)CCO1 1770748520 PIUDFCSIANPEHK-INIZCTEOSA-N 432.475 1.598 30 10 IDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771027932 ZKDWVXJXKIHCGI-CVEARBPZSA-N 439.524 1.033 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1771276660 HPMWGCSWLMICFO-QFIPXVFZSA-N 443.504 1.387 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1772887835 RHBFRKWTPBJBQC-UHFFFAOYSA-N 449.475 1.851 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cnn(CC)c2C(F)(F)F)C1=O 1854194657 VEJWYKKHLLEJAF-UONOGXRCSA-N 427.427 1.382 30 10 IDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855164360 ZNFIHUVYKQHOHY-RTBURBONSA-N 437.606 1.998 30 10 IDEE C[C@@H]1CCN(C[C@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCS1(=O)=O 1857339418 LRRSLQCKMMEYKD-YLJYHZDGSA-N 431.558 1.765 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(C[C@H](C)O)c(C(=O)O)cc3=O)cc21 1857887344 USRBUUQLCDNHEM-ZDUSSCGKSA-N 442.424 1.100 30 10 IDEE COc1ccc(CCN2C[C@H](CNS(=O)(=O)c3ccccc3C#N)CC2=O)cc1OC 1858031070 LGYWSGCWICOWJE-KRWDZBQOSA-N 443.525 1.945 30 10 IDEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868783922 UOAOLMOXDXVIEU-AEFFLSMTSA-N 446.573 1.895 30 10 IDEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870155615 WOLRWZKRFACUBN-UHFFFAOYSA-N 431.368 1.590 30 10 IDEE C=CCn1cc(OCC(=O)N[C@H](C)c2ccccc2)c(=O)cc1CN(CCO)CCO 1870413696 DHANNQHETMVFCL-GOSISDBHSA-N 429.517 1.077 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 1984991275 VIQUOYQEVNQQKC-XHSDSOJGSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 2022831992 ZMYHWEKMQYZIFI-PMPSAXMXSA-N 438.525 1.576 30 10 IDEE Cc1cnc(NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232305811 HWYARCHVSKMLDY-IKGGRYGDSA-N 449.357 1.442 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2255631503 ZSXGDAOWFOHZAX-MELADBBJSA-N 432.330 1.694 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC(NC(=O)OC(C)(C)C)C1 2255696384 SWFNUIPWAHMRBH-UHFFFAOYSA-N 435.334 1.147 30 10 IDEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1NC(=O)OC(C)(C)C 2255703557 ULEJSKNSTDCOJH-CVEARBPZSA-N 435.330 1.678 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255839747 CSTGYCYFTMUKSS-ZDUSSCGKSA-N 435.334 1.196 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067253 MSSDCQLGNLOOLO-KBPBESRZSA-N 432.330 1.761 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267119766 ZZYVTOREDDFHAK-SJLPKXTDSA-N 439.369 1.755 30 10 IDEE CNC(=O)[C@H](C)NC(C)=C1C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O 2297591402 GWKLBGJICWVQTP-MGUXCZDKSA-N 428.441 1.293 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2337200654 LBTPNEUDJWQERY-ZNMIVQPWSA-N 446.357 1.847 30 10 IDEE N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 26219781 TZBSEDTYFQPYNF-UHFFFAOYSA-N 443.485 1.802 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2c(Br)cc(N)cc2Br)CCO1 123261554 VJQDQHBTMUDYSA-QMMMGPOBSA-N 425.102 1.707 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 409520839 TUQOIHMWNPRHNR-UHFFFAOYSA-N 442.588 1.827 30 10 IDEE C[C@]1(c2cccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)c2)NC(=O)NC1=O 426425320 AXTICBTVNCWEQI-HTAPYJJXSA-N 449.492 1.767 30 10 IDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cn1 460775937 HZEJANRFJQARFR-UHFFFAOYSA-N 444.498 1.480 30 10 IDEE N#C[C@H]1CSCCN1C(=O)CN(CC(=O)N1CCSC[C@H]1C#N)c1ccccc1 462584353 ZLGXTZMQUGQLOV-HDICACEKSA-N 429.571 1.428 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@H]1CCCO1 470448447 QBKJKZKLIHBRMU-CQSZACIVSA-N 449.935 1.909 30 10 IDEE CC[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@]2(CCOC2)O1 478333903 DHWAWWMPEOULPU-SIKLNZKXSA-N 447.557 1.755 30 10 IDEE Cn1c(=O)c2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cnc2n(C)c1=O 499414362 YKOLVVFCSPFHGJ-AWEZNQCLSA-N 428.246 1.389 30 10 IDEE COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 521101299 HOHYPWDTCUCQAU-OAQYLSRUSA-N 440.481 1.519 30 10 IDEE CN(CCc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1)C1CC1 545489281 LVUWQJSVFBCGHB-UHFFFAOYSA-N 432.528 1.877 30 10 IDEE N#Cc1cccc(Cn2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2=O)c1 586555464 VWLJTCHNGJEIGS-UHFFFAOYSA-N 436.493 1.388 30 10 IDEE COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 613310851 YZPDKYAVMLJUOA-QGZVFWFLSA-N 442.497 1.938 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc21 618857794 HTNCYVAIMIRBOT-UHFFFAOYSA-N 430.468 1.529 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1OC 747336062 MPEMUNHOHHWGMN-UHFFFAOYSA-N 428.514 1.874 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 747993366 IDKUUTMACXFHSM-IAGOWNOFSA-N 426.517 1.227 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 748740944 GBNNFBPAIPHECT-QURGRASLSA-N 428.464 1.346 30 10 IDEE Cc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 753144930 XMODXWPXRUHWOG-GOTSBHOMSA-N 446.555 1.620 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cnn3cc(Br)cnc23)C1 756895414 VNROENFGMINIDS-GXFFZTMASA-N 435.282 1.981 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@@H]1C(=O)O 757548559 WJTDAVWNCXPXPP-WOJBJXKFSA-N 447.447 1.634 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 758779640 XDZXJPIQLSFQOG-DLBZAZTESA-N 425.493 1.544 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 759332990 LIVCESPOEPODAU-GJZGRUSLSA-N 427.523 1.132 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1 765892411 OQDLXIFXRYQYIU-RDJZCZTQSA-N 448.499 1.616 30 10 IDEE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)[C@@]3(C#N)CCOC3)cc21 769850966 QOGJJJSFBPSTSD-MRXNPFEDSA-N 428.308 1.661 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 774272792 MZRPXKOMJAHFLO-INIZCTEOSA-N 437.541 1.303 30 10 IDEE COCCOc1ccc(Br)cc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 778622816 KJNBVXOJSGBBIH-OAHLLOKOSA-N 444.351 1.835 30 10 IDEE CSc1ccccc1NC(=O)CN(C)C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780214167 KHVFKLJUTAPBEU-FQEVSTJZSA-N 427.482 1.954 30 10 IDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780925314 CEABBEHSTBIHFF-QHCPKHFHSA-N 442.560 1.985 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 782696713 KQSAGLASXPMYRB-UHFFFAOYSA-N 437.282 1.293 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=O)Cn2c(=O)cnc3ccccc32)cc1Br 790838707 FRSAZXWRMMBTFF-UHFFFAOYSA-N 447.270 1.536 30 10 IDEE C=CC[C@]1(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 794086609 KZXJLVRXQTUJPV-HXUWFJFHSA-N 444.598 1.673 30 10 IDEE C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 798228500 LNQSIEBMCPWBDO-OAQYLSRUSA-N 435.444 1.408 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cn(C)nc3C(F)(F)F)cc2C1=O 816292271 IJANITMLVHGVQZ-UHFFFAOYSA-N 442.375 1.340 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1156970896 PJOVVRPQXIXPBT-JXMROGBWSA-N 425.526 1.919 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCC(CS(C)(=O)=O)CC2)s1 1159346199 ZVXHXQPXWXSPGI-UHFFFAOYSA-N 434.605 1.475 30 10 IDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1228254527 HHLWOZVLLYWZFS-SFHVURJKSA-N 444.536 1.811 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286390217 YQFJFBAKYUKKAF-OAHLLOKOSA-N 431.547 1.005 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1286394643 JVRGRLHVNIZPMK-LJQANCHMSA-N 432.546 1.636 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1286465434 NEVCTZAWKVAZAC-SFHVURJKSA-N 434.504 1.253 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCC(F)F)CC1 1286473906 VEBYQWJJEDBVGI-UHFFFAOYSA-N 448.474 1.099 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286505495 BQPWUMVAXZPFCJ-UHFFFAOYSA-N 432.594 1.147 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1286523387 URGWHSTWYZWBAV-NNMXDRDESA-N 449.621 1.673 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1 1286561093 BKCZKKKQYPWXIG-OWSLCNJRSA-N 440.566 1.218 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1286606392 OIQCOXKSCSVAJV-GOSISDBHSA-N 447.561 1.862 30 10 IDEE C=C(Cl)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286636073 KLJVEFDIOGGJJW-OAHLLOKOSA-N 446.964 1.778 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286712353 WXXGZINMDHSTLN-FQEVSTJZSA-N 447.580 1.840 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1287543195 GTHIYBZZWNLWHY-BXWFABGCSA-N 425.555 1.096 30 10 IDEE CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1296174177 PFVMIEZRDHWSGF-YLEKHRKWSA-N 429.525 1.186 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1 1300325019 QVQJQDPYBDQLCS-IIBYNOLFSA-N 432.546 1.427 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1300356418 CCCYKKNOSPMKTL-UHFFFAOYSA-N 448.531 1.457 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300381391 DLSDMPZXUUUPIK-QGZVFWFLSA-N 449.563 1.987 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOCC(F)F 1300460597 ZZDYQCLIVJZXOY-UHFFFAOYSA-N 426.493 1.979 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1300481824 BPCPTCLQBYQLNA-OAHLLOKOSA-N 435.525 1.815 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1300487046 DXXQIXPUFUBTCD-IBGZPJMESA-N 438.557 1.856 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1300630346 BLCMHJGGHYUUET-HYFFOGBASA-N 449.552 1.586 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1300692464 FZNZYSJELRXHSO-QHCPKHFHSA-N 447.587 1.929 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCCC2)CC1 1300700698 USQDFKJWRSBVFA-IBGZPJMESA-N 449.621 1.532 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1301502035 BAWOTCHPQQSBOL-DLBZAZTESA-N 434.585 1.536 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1301579159 OTUZGEGVNNSYBY-GOSISDBHSA-N 448.593 1.043 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301586289 JUQYGPRREQOKAE-OAHLLOKOSA-N 437.591 1.588 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301588762 IYPJDIJTNDIKBG-SQNIBIBYSA-N 440.566 1.157 30 10 IDEE CSCCCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1302782213 DPRZRBWCHQJFNE-ZPHPHTNESA-N 429.550 1.999 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1302910427 CKYFICXNPXHYAV-HNNXBMFYSA-N 434.504 1.974 30 10 IDEE C[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1305220818 FZRQBARZPVBLFV-FXAWDEMLSA-N 438.532 1.784 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)n1 1311752914 FLNPVBNJSXVKFR-UHFFFAOYSA-N 448.568 1.227 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)OC)CCOC1 1314133329 AEECFVNBNALTLP-VGSWGCGISA-N 441.536 1.558 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1314528019 FENYSIPFBPJOBF-INIZCTEOSA-N 441.517 1.499 30 10 IDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1)S(C)(=O)=O 1314699949 ASEYAWFPGKAMSV-UHFFFAOYSA-N 432.550 1.448 30 10 IDEE COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1316070613 HYQLNWXTVBUVFH-AABGKKOBSA-N 437.548 1.551 30 10 IDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1316541073 SBRKFHPLTHGDTA-ZREAOVPFSA-N 447.499 1.318 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1325254553 KEWGSIDRLGQNMN-CYBMUJFWSA-N 447.351 1.791 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1358898101 MEHXAJNDJFDSNU-SFHVURJKSA-N 435.532 1.351 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1358960740 KVIYHAAEGONQNJ-MSOLQXFVSA-N 430.578 1.395 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1359026244 PJKJPQGPOMDAFA-QGZVFWFLSA-N 442.545 1.037 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](COC)C1 1359052407 DYNNVPVFVGITCE-KRWDZBQOSA-N 430.530 1.934 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COCC)C1 1359057134 STPNJXMTQHJJBY-SJORKVTESA-N 426.608 1.800 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1359142136 BCSGKGATHUVGSP-KBPBESRZSA-N 426.930 1.694 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(c2ccccc2)CC1 1359291479 RKZANNXMQYEEJJ-UHFFFAOYSA-N 438.532 1.304 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359297989 JGKLCXOFCQOYET-HNNXBMFYSA-N 426.481 1.660 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359303297 JJXDZFPJLUPQHB-JPYJTQIMSA-N 425.533 1.750 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CCO1 1359446550 DABHTQYDGUYXBV-LJQANCHMSA-N 435.488 1.811 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2c(O)ncnc2O)CC1 1443659954 BDIVWSCTJPYHSJ-HNNXBMFYSA-N 432.278 1.602 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1452487604 OHBLEZBHLPAVMH-JXFKEZNVSA-N 442.541 1.568 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)s1 1452957354 UOZWKZHKFFXFPI-SFHVURJKSA-N 430.548 1.372 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(n3cc(Br)cn3)CC2)c1 1455539984 MNIRJFJHLYBWOS-UHFFFAOYSA-N 437.319 1.476 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1461603778 QSAVQJRJMJHLJH-LBPRGKRZSA-N 442.277 1.532 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 1468862939 DOPXGQGTMORHLJ-HNNXBMFYSA-N 445.463 1.933 30 10 IDEE CC(C)Cn1c(N)c(C(=O)CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)c(=O)n(C)c1=O 1473741574 PJZKDZAHQXOXNR-INIZCTEOSA-N 437.422 1.733 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cccc(C(=O)OC)c2Br)nn1 1475568800 PJFKWOLWPGBANB-UHFFFAOYSA-N 429.296 1.882 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC[C@H]1OC 1503102463 GYKSNKUWALEONY-IEBWSBKVSA-N 442.568 1.870 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1507533601 LUIZIPXFYPZOMX-ZJOUEHCJSA-N 435.576 1.898 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C1CC1 1507681060 QKMNSSLFHWQWQX-OAQYLSRUSA-N 431.562 1.816 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCCN2CCC[C@H]2CO)CC1 1507737525 AYZYJIFSOANEDW-FQEVSTJZSA-N 428.581 1.358 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2CCN(C(C)=O)CC2)CC1 1507740930 HTJWWFFEILYDQN-HXUWFJFHSA-N 442.564 1.354 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507982693 QDUZRNDJDRXOBK-CQSZACIVSA-N 443.533 1.498 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1508007267 YHYPBIMVPLIYTA-UHFFFAOYSA-N 427.534 1.792 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC(N)=O)cc1 1508100443 KNRBRPFNZQMTLE-NVXWUHKLSA-N 447.561 1.493 30 10 IDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1509520930 BMTUDYUAEYWECR-UHFFFAOYSA-N 445.593 1.629 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)C[C@H]1O 1517687245 BOXHDWVULHUSDS-WTGUMLROSA-N 439.516 1.992 30 10 IDEE CC(C)(CC#N)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1527971876 HXWBUPNWSMAKKG-UHFFFAOYSA-N 432.502 1.631 30 10 IDEE Cc1c(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccc(Br)c1C#N 1529590206 XPJYRVBWKGHBAE-UHFFFAOYSA-N 428.246 1.827 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CC2)nc1 1529706916 FQHQIRZADBQRAS-HNNXBMFYSA-N 445.570 1.640 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1539489329 LFIMELDSSIPWKB-QHCPKHFHSA-N 443.548 1.898 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1539576864 CJKXKXDYOAAEBS-LSDHHAIUSA-N 440.342 1.807 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539712745 IXYYVRSAMOGNNI-GOEBONIOSA-N 428.961 1.834 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NC)C1 1540033831 QPCXAIPBJAGUCV-OAHLLOKOSA-N 430.509 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)OC(C)(C)C1 1540907660 DILSRJPIORDUSA-ULQDDVLXSA-N 442.582 1.607 30 10 IDEE COCCOCCc1ncc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[nH]1 1541114945 RIWUPLKYFVUVRC-LYBHJNIJSA-N 449.533 1.680 30 10 IDEE CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1547325963 DVBYGBIPUKXNTP-HTXNQAPBSA-N 444.517 1.331 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1547352708 ZXUKEQYWFMBJSY-GOSISDBHSA-N 433.534 1.493 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1554531485 GLGYFGWYSTYNSN-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1555280045 CLSUQRSKRWURDC-JKSUJKDBSA-N 437.497 1.337 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1557459099 IYWAMOAQVQOACA-OAHLLOKOSA-N 448.570 1.586 30 10 IDEE C[C@H](CC(=O)N1CCN(c2ccncc2)C[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 1558422872 GFOXFBSGGQFPTE-HZPDHXFCSA-N 427.530 1.636 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)[C@H]1CCN(c2sccc2C#N)C1=O 1559901522 FDNXIGGEMOZJHM-HNNXBMFYSA-N 438.506 1.522 30 10 IDEE C#CCC1(NC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1562224272 CAOOKLHPFOVWDD-UHFFFAOYSA-N 425.482 1.541 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1584109031 TUTNOKCLCVCPGK-UHFFFAOYSA-N 443.481 1.128 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN([C@H](CC)c2ccccc2)CC1)c1cc[nH]n1 1586965576 FUGKXTFDTDOHTA-LJQANCHMSA-N 427.505 1.989 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1587856819 SFDODSLFVPTCPJ-PKOBYXMFSA-N 449.621 1.971 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(OCCOC)CCOCC2)CC1 1588837520 WKDPXWXEDNMZOT-UHFFFAOYSA-N 433.597 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN2CC)CC1 1588955214 ROQVJRBKOOJREG-NRFANRHFSA-N 435.576 1.714 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNC(=O)Cc1cccc(F)c1 1589133897 BHKLAJNXXUCTRH-HSZRJFAPSA-N 440.523 1.906 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1595116547 STBVWVRMKFPSSS-IBGZPJMESA-N 446.573 1.914 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCSC[C@H]1C 1595536904 IJURSWIBWCICDV-CQSZACIVSA-N 439.545 1.436 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1595537626 URBVBNRGTKHGTE-UHFFFAOYSA-N 446.515 1.624 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CCC(N)=O)CC1 1595555967 LHUFDDBWHTWQQR-UHFFFAOYSA-N 428.512 1.792 30 10 IDEE COC(=O)C1([C@]2(O)CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)CCC1 1597950321 GHBMCDJJFIBBFV-NRFANRHFSA-N 449.529 1.107 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)[C@@H]2CS(=O)(=O)C[C@@H]21 1602761733 WHXVDGXMALLKPD-CVEARBPZSA-N 448.497 1.012 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCCN3CC(F)(F)F)C2=O)cc1 1611409483 HNLPKQUMBKHJGM-HZPDHXFCSA-N 437.422 1.906 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1 1615884654 DRHHHPFYSDLSCL-HSZRJFAPSA-N 444.628 1.964 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(C#N)ccn1 1616933674 SPQADKQXUGCRIY-JSGCOSHPSA-N 426.395 1.947 30 10 IDEE COCCOC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1620051749 VJAQLSGIAIOQDG-VHEBQXMUSA-N 446.552 1.734 30 10 IDEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(N)=O 1623847098 HTDCRXKAKORLGU-SFTDATJTSA-N 437.496 1.822 30 10 IDEE Cc1csc2nc(CC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cn12 1624062465 SXGAVLNJWCOWEN-UHFFFAOYSA-N 429.527 1.652 30 10 IDEE CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1627605161 PHSSMNPIEXMFAK-SFHVURJKSA-N 444.513 1.301 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NN2Cc3ccc(Br)cc3C2=O)cc1 1629683038 MTCXTHXFIUVIMC-UHFFFAOYSA-N 448.298 1.661 30 10 IDEE COc1ccc([C@@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1631077388 MQFYATAWHOLIPC-SFHVURJKSA-N 429.498 1.724 30 10 IDEE C=C(CCC(=O)OC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC 1631167192 XYSOFGDEVRGTLK-UHFFFAOYSA-N 425.507 1.587 30 10 IDEE N#Cc1cccc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1Br 1632443537 BZXAHRVQQZDORV-LLVKDONJSA-N 429.317 1.947 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCc3ccccc3)c2)CC1 1635125558 LEGZHZVEAOUDME-UHFFFAOYSA-N 442.541 1.560 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@H](CS(C)(=O)=O)C3)C2)C1 1636299792 QMPNJQNDSUPSFX-SIRSKZSMSA-N 441.550 1.045 30 10 IDEE CC(C)N1CCC(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CC1 1636658842 ZZYLNYOUNFMKTP-UHFFFAOYSA-N 436.553 1.754 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)C1 1638203601 SEHAJDNFAYYVMA-WGDDSDEBSA-N 443.422 1.673 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)c2ccccc2C(F)(F)F)cc1 1639153428 CJADIIFLEVMUEC-MRXNPFEDSA-N 427.404 1.705 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)ccc1F 1640684821 ZLCUJLCKHMLIDT-DLBZAZTESA-N 449.508 1.388 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 1640697170 BZEISJWESCXRRD-QGPMSJSTSA-N 429.546 1.765 30 10 IDEE C#CCN(CC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)C(=O)OC(C)(C)C 1648426332 XNLOZYDYIUNHTM-ZDUSSCGKSA-N 437.294 1.694 30 10 IDEE CN(C)CC#CCNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1684010171 MLQSQYHTLXUVJQ-UHFFFAOYSA-N 437.585 1.489 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 1684014026 BSOIWHMHGSPQII-UHFFFAOYSA-N 441.557 1.981 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCNS(=O)(=O)c3cccs3)C2)nc1 1685797396 JIZJTZSJHYRNGD-HNNXBMFYSA-N 434.547 1.579 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1690032470 BXVDCYWGERPGFU-ROUUACIJSA-N 441.557 1.918 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1690205989 DLJCSGQNSVDUCM-DYESRHJHSA-N 433.578 1.575 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1690206285 MEFXLEYWGUHEGF-HXUWFJFHSA-N 434.566 1.966 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1690465150 SYXPHHNSNTWHBI-XLIONFOSSA-N 441.598 1.973 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690512221 QSQOVWGNVGQLKN-UHFFFAOYSA-N 429.525 1.391 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1690607489 NXGYNMIZGTVFGR-GOSISDBHSA-N 429.521 1.859 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1690669665 LSQCTTJPVCNQJP-RTBURBONSA-N 437.548 1.637 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)COCCO2)C1 1690687440 BJXXIKJPEVKLBO-STZQEDGTSA-N 436.553 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C2CCOCC2)C1 1690714797 VJQRMRGBYGXLCS-KRWDZBQOSA-N 439.582 1.270 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1696927763 RJPGFQDFRHBOCI-KKSFZXQISA-N 430.484 1.676 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697695315 DNXMAUGGJWFJFB-MJGOQNOKSA-N 442.568 1.693 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1698169229 GHJGAAASYONYKK-IAGOWNOFSA-N 434.541 1.379 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1698169238 GHJGAAASYONYKK-IRXDYDNUSA-N 434.541 1.379 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC(F)F)CC2)nc1 1698489467 RMRMTSQGBTVXNZ-MRXNPFEDSA-N 433.463 1.657 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705570344 PBEZWHAJEUWXPW-QGZVFWFLSA-N 442.607 1.072 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC1(C(N)=O)CCOCC1 1705586187 YLGHIEGGNMUBJN-UHFFFAOYSA-N 435.528 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NCc1ccccc1 1705588165 YAKRIBQRICONHJ-UHFFFAOYSA-N 432.528 1.684 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C(C)=O)CC1 1705609744 PBCRNEPYYWGUHN-UHFFFAOYSA-N 438.532 1.340 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCS(=O)(=O)NC 1705625392 IPTDJDVDGFZSIA-UHFFFAOYSA-N 428.493 1.668 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCOCC2)CC1 1705761346 JQRKBDOYDKLKJQ-UHFFFAOYSA-N 425.493 1.331 30 10 IDEE C=CCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1705830113 JJQJOTOGIAGEGW-KRWDZBQOSA-N 448.568 1.922 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705896698 VNOXXCUPRKSEFA-IBGZPJMESA-N 437.504 1.358 30 10 IDEE C[C@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1707983622 BIEFWNPHLXKDLX-FUHWJXTLSA-N 444.561 1.713 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)C1CC1 1708531501 DABLHQPMQZJFCS-HOTGVXAUSA-N 437.552 1.695 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1712455284 RXERFOOTSVOMJE-NQIIRXRSSA-N 429.525 1.773 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1722309320 WTZQBKXABCAQDF-GJZGRUSLSA-N 438.579 1.726 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722362117 SHNZESUVKUZKKI-ROUUACIJSA-N 430.578 1.632 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722362473 UWALOZOSRUCKGH-QGZVFWFLSA-N 431.562 1.948 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1722382177 FQURYNFKKHTVQE-OAQYLSRUSA-N 448.552 1.546 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1722394860 IXKXHXVFXRIRQM-QHCPKHFHSA-N 429.565 1.504 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(CC(C)C)C1 1722418764 BUXVBLVHRPYFBA-FQEVSTJZSA-N 430.597 1.968 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](COC)OC)CC1 1722430600 GDZIXNGOABZSTQ-YLJYHZDGSA-N 431.512 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(C)COCCO2)CC1 1722448792 IEJAHNMFNNLVDW-HSZRJFAPSA-N 438.532 1.035 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CC1 1722450128 YJTBLENQRCTMGR-UHFFFAOYSA-N 436.516 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCn3ccnc32)CC1 1722450441 IXDRZWCNBQNJJH-GOSISDBHSA-N 425.537 1.555 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1722702283 MVKSXVKLAFVIID-QGZVFWFLSA-N 442.520 1.784 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1722725799 SIHJPWDIFBXMAG-OAQYLSRUSA-N 448.545 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722728166 UWERGXPSJVRQRY-MSOLQXFVSA-N 448.593 1.890 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722813534 CYPMNZZYGNCXGM-BKBKCADHSA-N 449.515 1.576 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)F 1722987012 JFZVZOGDOKNQGH-STQMWFEESA-N 446.430 1.878 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cnnn2)c1 1724181141 BRNDWIXHAJOHFK-FQEVSTJZSA-N 425.472 1.993 30 10 IDEE CCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1728460364 JDGWVVAUCYBUOJ-FMQUCBEESA-N 427.509 1.163 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1OC 1730049199 FWWVPCNPKWLDQA-AWEZNQCLSA-N 436.538 1.450 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1740548917 CFRGRDDVXJOKDH-MAUKXSAKSA-N 430.530 1.732 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1740624779 JZOVCKIONDIHEA-KRWDZBQOSA-N 432.521 1.671 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1740640574 QDIZKFSRNBQVPV-SFHVURJKSA-N 433.578 1.510 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1740644491 INMOGNMWYWFGLH-CALCHBBNSA-N 426.521 1.424 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740693340 YOOORQMKCTWNBO-HXUWFJFHSA-N 447.543 1.067 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(SC)CCN(C)CC2)CC1 1740696467 VECUUAMBOWGHDW-IBGZPJMESA-N 432.638 1.755 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC 1740774378 RSTHSFXEQNOEKJ-INIZCTEOSA-N 429.587 1.829 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N2CCOCC2)CC1 1740833830 BXCDSKAQUKNTNZ-UHFFFAOYSA-N 425.493 1.187 30 10 IDEE C=CCn1c(N2C[C@@H]3[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1740949973 CFCBDJHCWLLZMN-ILXRZTDVSA-N 439.582 1.888 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740963985 DJKHHXMCSDECLV-NRFANRHFSA-N 428.468 1.015 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)N(C)C)C1 1740978930 FVDNPLCAMHPOGM-HNNXBMFYSA-N 437.504 1.854 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1741016634 IZKYLHWDHFNOLW-PZJWPPBQSA-N 438.532 1.927 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741985539 RTVGELDRLHUEFO-YKNSSVCLSA-N 432.488 1.997 30 10 IDEE Cc1cccc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742314819 AIPGDSAJPBKETK-QQMHEVNUSA-N 437.504 1.648 30 10 IDEE CC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1743472301 BNODBDQBIKOTKB-UTKZUKDTSA-N 428.541 1.531 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C[C@@H]1N1CCOCC1 1744990461 WFKWUXUFUBGRJR-QUCCMNQESA-N 437.548 1.500 30 10 IDEE CCN(CC)C[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1746172043 HAHZIOPWJCBGKI-BSBNDGSWSA-N 427.553 1.850 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1746674703 GKYDBOCQRZXWNV-HXUWFJFHSA-N 439.582 1.883 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1748810123 ZIOQBBIRIGZKMZ-CQSZACIVSA-N 446.558 1.935 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(C(N)=O)CCOCC1 1748965550 UQVPPBCECSOPJZ-UHFFFAOYSA-N 432.550 1.002 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1 1749402379 NABPHJOVOUMBMW-QGZVFWFLSA-N 437.570 1.337 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1749413056 RNBDWTRPVIZYSH-JKSUJKDBSA-N 448.597 1.776 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1749590736 DZVFNAJBINWLLO-HKUYNNGSSA-N 428.537 1.778 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)N(C)C)C1 1749715967 YDDWYFBWKMRQNN-QGZVFWFLSA-N 437.541 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCCN(C(C)=O)CC1 1749735853 BQEADWBEGJYXGJ-UHFFFAOYSA-N 445.589 1.837 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(F)c(F)c1 1751215800 AWTTXSNTPKEVDG-SGTLLEGYSA-N 442.467 1.851 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190722 XXXNTWAQTCYBOE-IIBYNOLFSA-N 431.562 1.841 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2Cc3ccccc3O2)CC1 1760251480 BIMWDEWOVLNXNA-HXUWFJFHSA-N 436.560 1.955 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nccc(C(F)F)n2)CC1 1760257181 QNSZNHWAOPPOKC-NRFANRHFSA-N 447.490 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2(COC)CCC2)CC1 1760268094 CDTPJZDZLYBPAJ-GOSISDBHSA-N 442.564 1.402 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760268490 SGOIOKURGLINBS-LJQANCHMSA-N 449.559 1.564 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1760280217 OAQGTDGVTBYPGY-UHFFFAOYSA-N 447.568 1.314 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760522691 AXUPDKZKHVNBFA-JKSBSHDWSA-N 426.521 1.723 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1Cc1ccc(C#N)o1 1761495556 WIBWFYBWOYLMRD-NEPJUHHUSA-N 428.465 1.883 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1766819532 LZRCDYFMRVRYHH-YGCDDZCOSA-N 437.504 1.872 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1766932837 PRDWNSGPIRWSIR-UHFFFAOYSA-N 440.548 1.781 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCSC1 1766958314 IIYRRLQRABMOLP-HOTGVXAUSA-N 425.518 1.747 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1770747200 GZBHSEJAOGERFZ-INIZCTEOSA-N 426.502 1.866 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCOC2)C1 1771528973 WERKNDRZQKOOJK-IIBYNOLFSA-N 443.483 1.811 30 10 IDEE COC(=O)[C@H]1[C@@H]2[C@@H]3CC[C@@]4(C[C@H](O)C(=O)O4)[C@@]3(C)C[C@H]3O[C@@]23[C@@]2(C)CCC(=O)C=C2[C@@H]1O 1848432753 XGNJVKUWAJKFLN-SMBZKMGUSA-N 446.496 1.066 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCO[C@H](C#N)C2)cc1 1852748150 BMBNSFRRENNMIG-QUCCMNQESA-N 429.498 1.336 30 10 IDEE C=CCC1(S(=O)(=O)N2CCC(N[C@@H]3CCCN(c4nccn(C)c4=O)C3)CC2)CC1 1853521957 WVCVLZMZYPJXRC-GOSISDBHSA-N 435.594 1.242 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)ccc1F 1853940239 RPZXITPBZLDQAU-UHFFFAOYSA-N 429.473 1.998 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1854248673 IHLKGSVPGAKZIR-IRXDYDNUSA-N 436.509 1.342 30 10 IDEE CN1Cc2ccccc2C[C@H]1C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1856458052 DBAYJVKFMZXSRG-ICSRJNTNSA-N 427.482 1.463 30 10 IDEE CC(C)OC(=O)c1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 1870108972 FJDIZHVVRNARDF-QGZVFWFLSA-N 438.488 1.959 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(OC)c(OC)c1 1871034647 YFBPMOJFJWIXDJ-UHFFFAOYSA-N 443.500 1.901 30 10 IDEE C=CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 1871594418 UTAOYKCUDINZFO-UHFFFAOYSA-N 432.834 1.520 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC(CO)C1 2018344526 AZPIKZWUJIYFIY-KPRXVCGWSA-N 428.533 1.889 30 10 IDEE CC1(C)OB(c2csc(S(=O)(=O)NCC(=O)NCc3ccccc3)c2)OC1(C)C 2243413020 XZKBHSLTQJWWFA-UHFFFAOYSA-N 436.364 1.642 30 10 IDEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255596066 BQCAFUWHPQIXIQ-GFCCVEGCSA-N 437.350 1.536 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255653585 KZGLDJAYCIYHOT-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2255873011 ABWLAXXTDZTHKF-UHFFFAOYSA-N 434.346 1.522 30 10 IDEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CO)c(B2OC(C)(C)C(C)(C)O2)n1C 2255944208 YHQOGPPALTXLQG-OAHLLOKOSA-N 449.382 1.599 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256612488 FECXCJNMLJMUCD-CABCVRRESA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256620857 NURDLAKARCQEGS-HUUCEWRRSA-N 433.314 1.690 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267148262 XDQISNTUVHTGIQ-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE Cn1cc(C(=O)NCCc2nccn2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267528385 DGEOLZJTHLVTGZ-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267595999 HQGCNOVOSLMGLE-KBPBESRZSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880302 ABOBRURWMPQUSX-PEBXRYMYSA-N 444.341 1.905 30 10 IDEE Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282568555 DROBZTKQKKXVAX-LJQANCHMSA-N 449.364 1.878 30 10 IDEE NC(=O)C(CCCCC(=O)O)=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295033414 ATFIJFVYOZFDKW-UHFFFAOYSA-N 425.492 1.842 30 10 IDEE C=CCN(CC(=C)Br)C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2299064961 FKKDYQMTWMGPHC-GFCCVEGCSA-N 425.345 1.848 30 10 IDEE C[C@H](C#CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)NC(=O)OC(C)(C)C 2302385100 JEYLENYHZPOCJM-QLFBSQMISA-N 439.509 1.872 30 10 IDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)cc1O 2331276391 PVKNDENHFGPBQS-UHFFFAOYSA-N 431.474 1.762 30 10 IDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccco3)n2)s1 20832979 AYNKRHIJDPNMGI-SYZQJQIISA-N 439.508 1.003 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1Cl 72444285 ZMLLETBVFORUJR-UKRRQHHQSA-N 441.875 1.990 30 10 IDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3cc(OC)ccc3OC)C2)c1=O 101764728 HAYRSEPXHVSYAG-HNNXBMFYSA-N 428.445 1.533 30 10 IDEE CCOc1cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)ccc1OCC(=O)N(CC)CC 169897693 SKECRLPZONQGOP-QRVIBDJDSA-N 445.520 1.705 30 10 IDEE N#Cc1ccc(N2CCN(c3cccnn3)CC2)nc1N1CCN(c2cccnn2)CC1 302884065 LJSGZHJRKZJJBV-UHFFFAOYSA-N 428.504 1.186 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CCN1Cc1ccccc1 463276345 YHCLNEITKDTTEW-FQEVSTJZSA-N 438.507 1.977 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 472199038 MTIHXIBVIUKITK-UHFFFAOYSA-N 435.506 1.137 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 483471101 DLLVQYGBPMPLIM-XJKSGUPXSA-N 428.536 1.260 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 511412830 WSWFEOXSUYEGIG-SFHVURJKSA-N 428.518 1.596 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 515977556 WNAPAGKXSMWUSG-HNNXBMFYSA-N 439.497 1.735 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1C[C@H]1CCCO1 519493240 NFBJZDSMMIUTSA-CQSZACIVSA-N 429.567 1.518 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)CC1 522309619 XBRWFXYJXXKXGP-HXUWFJFHSA-N 449.983 1.343 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccc(F)c3C)o2)c(=O)n1C 523755368 VCXULIQPRUHQIV-UHFFFAOYSA-N 441.484 1.420 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)cc1 523862654 AXLMWAIWBWNNOF-UHFFFAOYSA-N 439.581 1.669 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(F)c2I)CC1 533086299 RTJNIKOIAJFJHC-UHFFFAOYSA-N 431.249 1.490 30 10 IDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCN1CCN(C(=O)C2CCC2)CC1 533555012 MXIOOTIFJYZOHX-UHFFFAOYSA-N 444.479 1.800 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 535904653 FXNJMUKWMYGAKF-UHFFFAOYSA-N 432.322 1.695 30 10 IDEE COC(=O)c1sccc1N1C(=O)C[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 536466357 GBJAYIBNPVCUEA-OAHLLOKOSA-N 425.470 1.255 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCCN(CC)CC1 562027895 RGCVZVZOEFZEJB-UHFFFAOYSA-N 437.592 1.954 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCCO2)CC1 572345538 SPEWRDWWBRMVDR-RBUKOAKNSA-N 439.520 1.528 30 10 IDEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1 572735150 OOEKGPVBPNCFMC-UHFFFAOYSA-N 441.332 1.924 30 10 IDEE CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 575829646 CHNKIRIOFQOAEH-HXUWFJFHSA-N 428.470 1.593 30 10 IDEE COc1c(F)cc(CC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1S(N)(=O)=O 609184689 DBIYIBJJAVUHOC-UHFFFAOYSA-N 447.488 1.966 30 10 IDEE O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 616579517 JWPJBIQLGXBEMU-UHFFFAOYSA-N 429.385 1.604 30 10 IDEE COC(=O)CN1CCN(c2ccc(NC(=O)c3cc(C#N)c(SC)nc3O)cc2)CC1 728977051 PAGFYPHNWUZBOY-UHFFFAOYSA-N 441.513 1.928 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)Oc3cccc(CO)c3)CC2)o1 753431063 GHBUPKXCPHPKSC-AWEZNQCLSA-N 428.445 1.006 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1CCCC1 756910524 FXNUPMRCUKFWGO-UHFFFAOYSA-N 431.558 1.600 30 10 IDEE Cc1c(I)cccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 760571859 BNYVCSDBPPFWIZ-PEZBUJJGSA-N 425.226 1.856 30 10 IDEE CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 760900141 BLBNGTGYQOZWFQ-BEFAXECRSA-N 447.561 1.042 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccn(C)n2)C1=O 765544410 OVOUVDFLQVANBI-SFHVURJKSA-N 439.545 1.491 30 10 IDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 767682078 UVFZMPMISVWSEK-OAHLLOKOSA-N 439.490 1.573 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1CC 772275380 KYNILWFOOMYUDZ-UHFFFAOYSA-N 432.343 1.806 30 10 IDEE CN(Cc1cnc(N(C)C)nc1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 780768157 OIZPEAPMEGCCCZ-UHFFFAOYSA-N 444.561 1.800 30 10 IDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2C1 782668567 MSWOLRUZHBCKFL-UHFFFAOYSA-N 437.504 1.932 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2c(Br)cnn2C)c1=O 782792614 JXCVDOMOVXMSDN-NSHDSACASA-N 433.331 1.157 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 792892717 ZTKOUGGGGZXAKU-QHCPKHFHSA-N 428.533 1.482 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796611085 ABMSJLZQDGGXPV-AEFFLSMTSA-N 429.502 1.485 30 10 IDEE CC(=NNc1ccc(-n2ccnc2)nn1)c1ccc(Br)c(S(N)(=O)=O)c1 797403752 YAKFEJHYJJVJKU-UHFFFAOYSA-N 436.295 1.908 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C[C@H](C)C#N)C3CC3)ccc2F)CC1 801177837 HJJTWZJDMFZUPE-CQSZACIVSA-N 436.509 1.443 30 10 IDEE N#C[C@H](C(=O)CN1CCCN(S(=O)(=O)C2CC2)CC1)c1nc(O)c2ccccc2n1 801978917 IGSOHWGFUITPDJ-MRXNPFEDSA-N 429.502 1.012 30 10 IDEE COCCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802360178 YXISBGJDAGDXLJ-LJQANCHMSA-N 439.520 1.527 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 803698848 GPEZZVWJCSQXRG-UHFFFAOYSA-N 436.468 1.138 30 10 IDEE COc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)c(OC)c1 806027608 FABDXWGZFCQTIC-IEBWSBKVSA-N 427.505 1.186 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)c1cccc(F)c1C#N)C(F)(F)F 810703065 YLMXAACYKBZPMO-LLVKDONJSA-N 425.360 1.958 30 10 IDEE CC1(C)C[C@]1(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 813300674 JGFITHWOUNHQIT-QGZVFWFLSA-N 442.335 1.892 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 813477937 RMIPURQZOZIMHL-CABCVRRESA-N 446.508 1.232 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)c1 814379389 DLNBYSIYAYNXBH-UHFFFAOYSA-N 449.554 1.519 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 917767683 DVKQCORGADUHDG-INIZCTEOSA-N 443.573 1.068 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 918118466 SLRMKMWNJVDQPQ-HXUWFJFHSA-N 447.543 1.687 30 10 IDEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COC(C)C)c1ccccc1 1081080174 HBIRXVAPDNRIFT-MRXNPFEDSA-N 428.493 1.056 30 10 IDEE COC(=O)c1coc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2ccc(C)cc2)c1 1115999346 ARTJQAJBTFDYHA-UHFFFAOYSA-O 432.522 1.523 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)C1 1116556384 NQWJEVWQYAXAJI-LJQANCHMSA-N 437.562 1.195 30 10 IDEE CCOCCOC[C@@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1139766726 RAQJZNASEBPSDI-GWWPLSDWSA-N 425.526 1.303 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OCC 1151574564 USBSNBIROSFBOP-HNNXBMFYSA-N 431.898 1.114 30 10 IDEE C#CCOCCN(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1160097225 HTLZOMKFPVGCGL-IBGZPJMESA-N 436.574 1.625 30 10 IDEE N#CCc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1184532945 BSXNKNLAEDAORC-UHFFFAOYSA-N 441.481 1.726 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CC1 1194060702 UOKZVCGGMSVQQM-UHFFFAOYSA-N 429.498 1.881 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)c1 1256303987 AKAVXNPQQNPMOI-UHFFFAOYSA-N 428.518 1.065 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286329182 RWPVBVUYBJBHTL-HXUWFJFHSA-N 435.532 1.661 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286334812 BLDTZAFCZADGQW-CQSZACIVSA-N 426.443 1.432 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)Cc1ccccc1 1286350171 WNUHLPKTBRDUIM-LJQANCHMSA-N 447.561 1.023 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1286375952 AYQYGTBDWKOEMP-GOSISDBHSA-N 439.582 1.420 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCn1cc(Br)cn1 1286408983 MUJYAIUYUMIBOP-UHFFFAOYSA-N 425.294 1.857 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OCC)CC1 1286663164 HQTPLCUZJNNTRA-QGZVFWFLSA-N 441.598 1.829 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1286726403 DXHPLKQNVHJNCU-SFHVURJKSA-N 431.562 1.687 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(C(=O)NC)c1 1293113000 BMWZMVAMZGLPGN-INIZCTEOSA-N 445.531 1.625 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCCOC)CCOC1 1296614714 NYZWKYGXARXWGV-JOCHJYFZSA-N 442.520 1.892 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300339778 RWMFEWKMYPXTDF-SFHVURJKSA-N 425.537 1.886 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300481367 AABKPMZLKWMVGW-APWZRJJASA-N 443.573 1.760 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300491742 ILHIHMMWHHDOTL-IRXDYDNUSA-N 449.577 1.205 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1300498375 JVDRFAMYEARUKX-GHTZIAJQSA-N 431.562 1.442 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1300499583 VIRUIJFUVYHDNT-NQIIRXRSSA-N 429.546 1.460 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300505456 AJFDVNHXJLLZFD-HZPDHXFCSA-N 447.565 1.151 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1300603310 YXWBIQUMXQJEKX-OAHLLOKOSA-N 432.550 1.549 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)SC)CC1 1300729090 MTJOARPCCMHVGU-KRWDZBQOSA-N 429.594 1.857 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 1300891208 KBTSHPAJVCBYGQ-WIYYLYMNSA-N 430.553 1.440 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1301312798 MRLNAEVMMZECOF-UHFFFAOYSA-N 446.577 1.870 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1301384362 UTBUJTFXMKMGOT-WAIKUNEKSA-N 436.516 1.910 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1301417715 WOJOMURSZMZZSI-NRFANRHFSA-N 447.561 1.466 30 10 IDEE C=CCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301474257 WVFXOJLLHGMVLR-HXUWFJFHSA-N 441.598 1.755 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1301613185 VMIKYCXVDUQMKX-OAHLLOKOSA-N 435.575 1.763 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1302175942 ZJFCGKILZAHOLS-SBUREZEXSA-N 441.532 1.988 30 10 IDEE C[C@](O)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1303886493 DBCVATGQOVPVNO-OWZDWXTDSA-N 430.896 1.519 30 10 IDEE CCCN1CCC(N(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1307051542 ITWGQWFCNBECND-XUTLUUPISA-N 427.553 1.993 30 10 IDEE CC[S@](=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1314567579 URHLSZAHTCUBFV-HKBQPEDESA-N 436.545 1.702 30 10 IDEE COC[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1)OC 1315801537 AANMYMJXOSQMPW-LJQANCHMSA-N 440.552 1.853 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1316297708 MJWULTUVFOPAFZ-CLWJZODNSA-N 436.582 1.168 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1316567484 MZVPUHBXHANVNL-AQTLKONXSA-N 440.426 1.840 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1358889949 JKCGLEGRPFKMPS-MAUKXSAKSA-N 435.525 1.451 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(F)cccc1Cl 1358949257 WXHLZMYHHGOZCE-INIZCTEOSA-N 441.916 1.521 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358993337 KKUOUBREQVCPON-SFHVURJKSA-N 443.548 1.929 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2cccn2)cc1 1359018382 NXZRJUONNSXHAB-UHFFFAOYSA-N 433.516 1.834 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC 1359024257 JGZJQQJIGBJFAZ-MRXNPFEDSA-N 427.571 1.133 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1359024479 NZKDCHDJMPDITR-OALUTQOASA-N 437.610 1.388 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NCCC)CC1 1359039367 FXNINZSZCKLJRE-UYAOXDASSA-N 430.597 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2nc(C)no2)CC1 1359044631 KQLJWUBRNHGQPM-KRWDZBQOSA-N 427.509 1.072 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359048537 ULKVQXRZDLKWCO-KRWDZBQOSA-N 434.610 1.771 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1359056644 IXQJAMBAXXAUBT-ZWKOTPCHSA-N 438.619 1.942 30 10 IDEE C[C@](O)(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1360723477 AJGHICYFDABPKG-ORYQWCPZSA-N 447.536 1.920 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1 1439454830 ORGYZXNCGOORJZ-HNNXBMFYSA-N 447.435 1.835 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)s1 1447580845 DITDFLPJFOVXPJ-SFHVURJKSA-N 449.598 1.638 30 10 IDEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1451267902 DWQAOCQPGNMNPK-QGZVFWFLSA-N 442.516 1.789 30 10 IDEE C#CCOCCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1457391657 XRVBIWNYOCIGMC-UHFFFAOYSA-N 430.482 1.980 30 10 IDEE Cn1nc(-c2ccncc2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464027401 INSOGOTYTBBZGW-UHFFFAOYSA-N 436.497 1.500 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCc4ccc(C#N)s4)CC3)C2=O)n(C)n1 1478848953 QEIBDJMMOZEBPL-SFHVURJKSA-N 441.561 1.685 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1502471499 BCTLXTRWAGZQAZ-INIZCTEOSA-N 427.490 1.371 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCSC2)C1 1505145256 LHGVAMGSICRHLP-LJQANCHMSA-N 432.575 1.699 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCSCCCO)CCN1C1CC1 1505326248 XBOPBXHZMBGWPQ-IBGZPJMESA-N 427.578 1.556 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1507573312 GJICYVRJJIQKFK-KKSFZXQISA-N 429.546 1.938 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1507705438 SGWOJQHOLFKZQF-AWEZNQCLSA-N 431.884 1.068 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1507849618 ZQRPIWNHHQWUSR-JOCHJYFZSA-N 435.569 1.828 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507857978 YZQYUNBBZJFGIS-DZGCQCFKSA-N 440.932 1.521 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C(N)=O)CCOCC2)CC1 1507895359 ZPDHFJNUFWRWNS-UHFFFAOYSA-N 432.569 1.881 30 10 IDEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507955551 JYZWHOSKGHDUOT-UHFFFAOYSA-N 430.597 1.958 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1507961917 IUVHEPOJNBRNNN-IBGZPJMESA-N 438.532 1.984 30 10 IDEE C=CCCOCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507966580 UIJNTKDEGMGXQO-HSZRJFAPSA-N 447.580 1.972 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1508072599 GWYRXHOJBGKUJW-MRXNPFEDSA-N 446.556 1.506 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC(N)=O)cc1 1508100444 KNRBRPFNZQMTLE-RDJZCZTQSA-N 447.561 1.493 30 10 IDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1511383663 OWCLWHGQCVJLBD-SFHVURJKSA-N 435.488 1.873 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1511971523 ORNDITWINSFFLZ-SFHVURJKSA-N 437.548 1.596 30 10 IDEE CCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513890576 RNLUHWLVAQQOTR-CMTMBAJVSA-N 442.442 1.915 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1515071579 DNPMTWXBRRZNLJ-YJBOKZPZSA-N 426.477 1.436 30 10 IDEE CCOC(=O)c1c(NC(=O)CC2CCN(S(C)(=O)=O)CC2)c(C#N)cn1CCOC 1515219931 DBONDENLTMYJSP-UHFFFAOYSA-N 440.522 1.183 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOCC1 1519436268 PDEHOBOZLUWAEY-CNNODRBYSA-N 432.569 1.854 30 10 IDEE C[C@@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1527484831 JXNGADAIGZOOFV-RDJZCZTQSA-N 443.504 1.401 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539112184 KWTXMTXUKFOZCL-HXUWFJFHSA-N 432.532 1.441 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539215988 MNWVALKLYREZAO-QGZVFWFLSA-N 446.577 1.549 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539220923 WUVPDFATQVSKRT-DLBZAZTESA-N 437.610 1.798 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1-c1ccccc1 1539232770 OHMZHAYXJPZPSP-UHFFFAOYSA-N 437.467 1.627 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1539370685 DRVIDONCTZISMD-IBGZPJMESA-N 447.561 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540897197 CTPUGLSFWYNKAO-IRXDYDNUSA-N 438.598 1.034 30 10 IDEE CC[C@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)O1 1546046105 WUPHXIGACJSYCP-KGVIQGDOSA-N 429.569 1.941 30 10 IDEE CNC(=O)[C@H]1CC2(CCN(S(C)(=O)=O)CC2)CN1c1ccc(C#N)c(C(F)(F)F)c1 1548379789 HSCFIOAGCLYBGT-MRXNPFEDSA-N 444.479 1.944 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1555013547 HXIPCXSBFMULGN-RWNPKEDZSA-N 438.488 1.705 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555421296 DCVJRQSZKQGNAL-JOCHJYFZSA-N 436.520 1.654 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555802505 KAANTLGGTRNBFB-KRWDZBQOSA-N 444.565 1.127 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@](OC)(C(=O)OC)C1 1557549724 MBOFSXLGNNVFAY-MGPUTAFESA-N 437.518 1.074 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1564601412 LTLMWQBHZIGDIJ-XWEVFREBSA-N 443.548 1.558 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588024663 IVSZWSAPMNTRLR-BZSNNMDCSA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588029053 CWBPMCFJVOJYDS-MOPGFXCFSA-N 437.610 1.385 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588045019 FNRHYPNPZQLXLO-HYDGNGQDSA-N 449.602 1.212 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1588385256 GYDQEOOEBRQJQW-QZTJIDSGSA-N 439.582 1.420 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1588638306 RLWCTCJLVALDRK-KURKYZTESA-N 432.569 1.203 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1593741531 RKGKJLNHQLZOAE-ZWKOTPCHSA-N 432.569 1.811 30 10 IDEE C=CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1594625924 IJPCLFQWDQBOLW-INIZCTEOSA-N 434.541 1.879 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](CC)C1 1595497358 YZUYXWMMBWKXHV-INIZCTEOSA-N 445.520 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2nn(C)c(=O)cc2C1 1595773229 VAIMYWLTJZQKJO-UHFFFAOYSA-N 444.517 1.104 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CC=CCO1 1611665411 XIAVYNSBGNHWGF-YJBOKZPZSA-N 430.534 1.741 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1616564627 DUARTSHXZDUNFM-ZXYDQQDNSA-N 439.491 1.820 30 10 IDEE CCSc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)ccn1 1617450206 HNTKMWQHIRBEGH-INIZCTEOSA-N 427.534 1.798 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N(C)C 1617868510 DATXKTXADRILCS-UHFFFAOYSA-N 426.506 1.135 30 10 IDEE CS[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1620189204 BVDFYLDIZLNHTR-LSDHHAIUSA-N 443.581 1.545 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)ccc2Br)CC1 1623013157 SDNQRDCSDMCNPW-UHFFFAOYSA-N 431.312 1.075 30 10 IDEE C#CCOc1cccc(NC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)c1 1623086492 KDGKTLAURNGBIY-UHFFFAOYSA-N 428.514 1.961 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C2(CC2)C1 1623511013 MVJKMYPIOLHYPC-OAHLLOKOSA-N 434.518 1.241 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)c1 1628195174 HVUQVGYQTUQIBK-INIZCTEOSA-N 440.518 1.544 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1 1631224458 FVULDMKVKNKIRI-INIZCTEOSA-N 441.550 1.451 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1632219055 RKWGZHBAXLRNAG-FQEVSTJZSA-N 444.513 1.377 30 10 IDEE COC[C@]1(C(=O)OC)CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1632808802 DCZDMKVPFFNZPD-BILMIZPOSA-N 435.521 1.954 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)nn2)C1 1635638676 YKUVIRGUAQKTKR-IAGOWNOFSA-N 429.525 1.662 30 10 IDEE COc1cc2c(cc1O)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1638471398 LZUGEZMYSKKCQY-UHFFFAOYSA-N 429.498 1.804 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1639701050 LBKRIXNLTJMYSN-AEFFLSMTSA-N 448.545 1.543 30 10 IDEE C#CC[C@H](COC)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1641843818 WGIBWUJNBOBRJE-QZTJIDSGSA-N 442.541 1.877 30 10 IDEE C#CC[C@]1(C(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1648308650 HXPZDOGDMGAERM-OXJNMPFZSA-N 427.567 1.567 30 10 IDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1655004525 AXZZHMZBBBGLSW-SFHVURJKSA-N 441.463 1.359 30 10 IDEE Cn1c(N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1655861955 AKFLYDGWBULGHA-NWDGAFQWSA-N 431.415 1.238 30 10 IDEE C#CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1669079093 DPZNVXNBGPEZLX-UHFFFAOYSA-N 428.514 1.883 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2=O)cc1 1672353483 QKPMFTZEDCEBPO-VXKWHMMOSA-N 448.527 1.254 30 10 IDEE C#CCN(C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 1675590148 PWFFURRBSLXUNF-FQEVSTJZSA-N 433.574 1.236 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1689988167 KLCBLIBUCSABFP-RBUKOAKNSA-N 435.594 1.019 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689992134 IAGOSHPKYWYCPB-PKOBYXMFSA-N 429.546 1.317 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCOC2=O)CC1 1690146013 CZMPYIFKLMJVJU-GOSISDBHSA-N 444.536 1.328 30 10 IDEE C=C(Br)Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1690234743 MMFAWBHFWVIXRZ-KBXCAEBGSA-N 442.358 1.942 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1690299138 GTMFQBOKJLIOGZ-UHFFFAOYSA-N 441.492 1.597 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1690310318 ZXVNKCYCIWGUDW-UHFFFAOYSA-N 445.524 1.450 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690532381 NGOTXKNSRDRYTI-UHFFFAOYSA-N 436.520 1.025 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1690714486 NFZMUMVUXIDAEE-VAMGGRTRSA-N 446.596 1.854 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2cncn2)CC1 1690724367 NGAUXLRSZXIRJE-SFHVURJKSA-N 449.581 1.281 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690744425 OVWASNZOUVXAIQ-SJORKVTESA-N 448.593 1.858 30 10 IDEE COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697970056 KQJDKPVFPGBZAN-UHFFFAOYSA-N 425.493 1.476 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CCCC(F)(F)F)cc1 1698487834 BTKLXAKABOKGFD-HNNXBMFYSA-N 447.421 1.306 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705567685 YFXCFVIBUUHZBZ-KBPBESRZSA-N 434.484 1.997 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705569969 IZABEVKMRIBJTE-VQTJNVASSA-N 444.532 1.980 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705572274 WJOFTLUDSJXSMS-UHFFFAOYSA-N 430.516 1.735 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)CC1 1705639237 JJUVXEIYSPDSQV-GOSISDBHSA-N 431.537 1.317 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCS(C)(=O)=O 1705706168 QNIBNRVNFFMTDR-HKUYNNGSSA-N 436.582 1.602 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705899599 ZNWWLJXYQUHZCU-GJZGRUSLSA-N 430.534 1.377 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1705917886 YWECVHSIBLFYNY-JPYJTQIMSA-N 443.548 1.810 30 10 IDEE Cc1noc(C)c1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1707929260 GJEKNXWNZSNLTI-AWEZNQCLSA-N 435.554 1.866 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1708241504 OLIIDTICDUYISF-ULBJJONDSA-N 432.550 1.986 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1709906357 ZMQJCDWQZXMZNH-CVEARBPZSA-N 449.556 1.803 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722365742 NUXRRBWUTAZNNK-SIKLNZKXSA-N 443.573 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2)CC1 1722442180 ZXXGBLAGXZNVPJ-UHFFFAOYSA-N 434.544 1.837 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722460131 CHOUSFHCEXUFPW-UHFFFAOYSA-N 431.537 1.845 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1722527770 ACNFZRUPXHWJTQ-LPHOPBHVSA-N 427.571 1.488 30 10 IDEE C=CCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722690686 MHNIRKKBYKUIRY-LJQANCHMSA-N 427.571 1.413 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1722698211 WUTHHCVTQZFZAG-UHFFFAOYSA-N 446.515 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722730346 PINZRSKWQFXFOS-DYESRHJHSA-N 438.594 1.996 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)O[C@H](C)C2)CC1 1722795245 FPASVRZAGYPTNC-HDICACEKSA-N 437.548 1.594 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1726672599 BOOGWQFRXSLJNM-LZICOFPGSA-N 439.520 1.814 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1729338871 HBDBGELWJZVDDX-WOJBJXKFSA-N 437.548 1.642 30 10 IDEE CN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1729414012 BBCBTCRRAIKLRV-XOMICKMZSA-N 435.488 1.392 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729918835 WQQRALMXUYEHLS-LSGABVIPSA-N 439.520 1.815 30 10 IDEE COCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1730510469 AVIQZBXQXADFDR-OAQYLSRUSA-N 443.483 1.811 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1740530916 AWMPQAWDLRWNLZ-INIZCTEOSA-N 428.512 1.898 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncnn1C(C)(C)C 1740602389 KXYCGMKNLQQZKF-UHFFFAOYSA-N 427.534 1.813 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1740618965 DZBNSYRMGMDQEW-GOSISDBHSA-N 441.513 1.755 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)C)n1 1740631862 VTTUTMJKDPMXCV-HNNXBMFYSA-N 434.591 1.784 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740863928 IGKIDQRUCZYWIR-MRXNPFEDSA-N 444.623 1.940 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740977211 SIDJFUUQJFNWQA-QGZVFWFLSA-N 447.561 1.370 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1741803004 NHDFTAXAELKLNC-JKSUJKDBSA-N 425.555 1.504 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1741903745 CLQAJWXHOBZNJW-LSDHHAIUSA-N 439.586 1.418 30 10 IDEE CC[C@H](C)c1nnc(N2CCCN(CC)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743724174 KRPHSCOTVOXTBL-ZJYNUGOYSA-N 429.525 1.377 30 10 IDEE Cn1cc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1748010028 NFSONGOLSXSKRO-KMJMQOOCSA-N 446.462 1.687 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1748637799 GFXNIMBGPIJYMS-MRXNPFEDSA-N 434.504 1.758 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1748671932 OKHQBBGITOESBB-MAUKXSAKSA-N 435.525 1.451 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1748809696 PELMPWYSBBSFJH-UWJYYQICSA-N 446.598 1.748 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748888989 DFKVORBWDBWKTI-LJQANCHMSA-N 435.528 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1748892323 NQHKPVIKKOAPOK-PMACEKPBSA-N 431.606 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1748892896 XUKCUSGOYHDIGT-DENIHFKCSA-N 435.528 1.974 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCS1(=O)=O 1748917274 SQWCDZYDTWRDRW-SFHVURJKSA-N 440.533 1.348 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCSC1 1748969270 RZIYHBRKRWHTOH-IBGZPJMESA-N 435.575 1.224 30 10 IDEE COc1ccccc1OCc1nnc(N2CCS(=O)CC2)n1Cc1ccc(C#N)o1 1749100258 SCJOBHARRTUOEM-UHFFFAOYSA-N 427.486 1.947 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1749450505 JMBXDOZXHZUGMO-UHFFFAOYSA-N 430.475 1.791 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1749574652 BIIAUIRDRMMBHS-LPHOPBHVSA-N 427.571 1.196 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1749669854 OLQBYDSHHCOKGV-LJQANCHMSA-N 432.569 1.023 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1750076483 OCHFVTRNIPUGJR-FFRPFHMCSA-N 444.561 1.920 30 10 IDEE CS[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1750238841 GLXDRCAPOOSGKX-RVKKMQEKSA-N 442.611 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1760098501 SXSUCZRHOWILLE-KBPBESRZSA-N 435.506 1.154 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nccs2)c1 1760127289 VGRPOOXWXHWKIV-UHFFFAOYSA-N 437.529 1.977 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 1760154926 MAUXIHMRIYYJSM-IBGZPJMESA-N 447.561 1.669 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760188651 PUAWKOWUVXLBMS-WIRSXHRWSA-N 438.594 1.596 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1760188819 QIRSBJMFIRQKHG-ROUUACIJSA-N 436.578 1.963 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1760248823 RBVOOFKEKDTCAG-LJQANCHMSA-N 438.532 1.260 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2cccs2)CC1 1760260673 BMDFQJSLXCJWEN-JOCHJYFZSA-N 439.589 1.864 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CCOCC2)CC1 1760262869 FMFPPJDDBVMFCA-QGZVFWFLSA-N 429.594 1.110 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1760286765 UYXIPQQXHWBFAE-HXUWFJFHSA-N 437.566 1.575 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3ccnc32)C1 1760534917 IURUXDJDSAPTNY-IXDOHACOSA-N 449.581 1.444 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760548820 QEPKHVDLBLSIHB-IRXDYDNUSA-N 437.566 1.120 30 10 IDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1767065662 BPVNYNKNBKATGH-UHFFFAOYSA-N 433.472 1.762 30 10 IDEE CNC(=O)CCCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1767744958 HGBYGFIDFMLKQK-NRFANRHFSA-N 430.509 1.794 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccco2)cc1 1770738243 HFXYZCYXEHXWCK-UHFFFAOYSA-N 436.472 1.841 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1770983659 CDWQNSVJXQHVHC-FPDPHYFHSA-N 429.477 1.307 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1772887044 YJVGQVVESDEXQJ-QGZVFWFLSA-N 446.533 1.145 30 10 IDEE Cn1c(=O)c2cc(S(=O)(=O)N3CCC(C#N)(c4ccccc4)CC3)ccc2n(C)c1=O 1848888611 YYWRVIFFABYEEH-UHFFFAOYSA-N 438.509 1.483 30 10 IDEE C[C@@H]1Oc2ccc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc2N(C)C1=O 1851591315 DVIPSFITZHTHGC-INIZCTEOSA-N 435.484 1.676 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc(Cn3cnnn3)cc2)cc1 1851665348 XYXZMEYBNWQKFY-QFIPXVFZSA-N 448.483 1.530 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1 1852074662 YQKBWVCXEVEANH-KRWDZBQOSA-N 428.532 1.208 30 10 IDEE C=CCN(C(=O)CSCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCN(C)C1=O 1852209434 YZEQTDPRQLBQDK-LJQANCHMSA-N 448.564 1.453 30 10 IDEE COc1ccc(N2C[C@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c(OC)c1 1852455313 JMDTXOSQAWQWSW-WBVHZDCISA-N 438.440 1.687 30 10 IDEE C=CCN([C@H]1CCN(C(=O)c2cc(Br)cs2)C1=O)[C@@H]1CCN(C)C1=O 1854174150 BPGHZCYAQJDNOF-OLZOCXBDSA-N 426.336 1.970 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cncc(F)c2)CC1 1855862480 ODQDELFNDCRTMJ-UHFFFAOYSA-N 428.445 1.874 30 10 IDEE CN(C[C@@H]1CC(=O)N(C(=O)c2cccc(Cl)n2)C1)C1CN(c2nccnc2C#N)C1 1856278863 WSLFOOIVIAYXET-ZDUSSCGKSA-N 425.880 1.206 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1=O 1856791976 LZARSFHPBUOZTR-DGCLKSJQSA-N 449.312 1.876 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3nccc(Cl)c3F)C2)CC1 1857066209 IKLNVVABYXQSJO-LBPRGKRZSA-N 428.873 1.428 30 10 IDEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)CC1=O 1857492278 LZXMBYXOCJXIJA-LBPRGKRZSA-N 445.328 1.341 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858338319 XQTKYAHTAPJJGD-MRXNPFEDSA-N 435.527 1.698 30 10 IDEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCO2)cc1 1858664550 JZLYLEFMFFUXSI-GOSISDBHSA-N 428.470 1.864 30 10 IDEE CC(=O)c1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)c1 1870101071 NDYTVSLXAMWTHC-UHFFFAOYSA-N 427.424 1.749 30 10 IDEE C#CCOc1cn(CCN(C)C)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870563486 CXRPQQYCWVDIKU-UHFFFAOYSA-N 439.516 1.652 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NC[C@H](C)O)ncnc21 1873628099 RWUZRBKRXCLZOC-LBPRGKRZSA-N 434.456 1.888 30 10 IDEE C=CCn1c(C(=O)Nc2cccc(NC(C)=O)c2)cc2c(N(CCO)CCO)ncnc21 1873647087 XJQDSJADHCMTMB-UHFFFAOYSA-N 438.488 1.619 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3cc(C(C)C)ncn3)CC2)CC1 1890200963 COTFQINKIUIOQP-UHFFFAOYSA-N 443.592 1.627 30 10 IDEE NCC#Cc1nc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1Cl 2232419311 WAVZOMOQPHQKGW-UHFFFAOYSA-N 432.889 1.473 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCF)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243675463 WTMQJYMVMYTHQU-SNVBAGLBSA-N 430.311 1.451 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)c2)OC1(C)C 2247880170 BWBXASLIEHNMMT-UHFFFAOYSA-N 431.323 1.057 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248404628 LPDAXPLSSBYNPS-SWLSCSKDSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2248412680 MXQXSTMVFLMYLQ-UHFFFAOYSA-N 432.273 1.907 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2255621969 TXLPNFDYLZDFFQ-ZDUSSCGKSA-N 436.318 1.483 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255658810 JLKHZYSWNOMLRI-NSHDSACASA-N 448.251 1.894 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2255682869 NGXAQHFOGAHXDZ-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)c(F)c2)OC1(C)C 2255743840 HVJCQEAUQAECOC-UHFFFAOYSA-N 448.325 1.801 30 10 IDEE C[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255821111 AISVVRCQEKUUSS-AWEZNQCLSA-N 436.362 1.952 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@H]1OCc1ccccc1 2255941776 KDBXGROSHGMSDP-ZWKOTPCHSA-N 447.366 1.745 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2257589463 GSIKPZGBHOPPCM-CQSZACIVSA-N 437.346 1.662 30 10 IDEE C[C@H]1[C@@H](C)N(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267113638 WYCWDRUACWEGBM-KGLIPLIRSA-N 449.361 1.584 30 10 IDEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267118107 HZWFZKHADHLRPV-GOSISDBHSA-N 439.369 1.708 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2COC[C@@H]21 2267139707 KAHYIKBRKFFHCK-GJZGRUSLSA-N 448.329 1.169 30 10 IDEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]1NC(=O)C(F)(F)F 2267167224 CRGLPAPCCJEQBF-AAEUAGOBSA-N 442.247 1.305 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C 2267221400 VBDJDJLBYGFVOY-CYBMUJFWSA-N 449.361 1.490 30 10 IDEE 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N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)CC2)nc1 587663841 CGFXUHCVZSSOSR-HXUWFJFHSA-N 446.511 1.128 30 10 IDEE Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1S(N)(=O)=O 610425334 LCEOEGIWIOHZRW-INIZCTEOSA-N 430.511 1.668 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CCN2C1=O 611840600 IQUZHMPICVEZHG-OAHLLOKOSA-N 427.852 1.898 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccoc3)c2=O)cc1F 727418205 WVSDFAVTGWVTEY-UHFFFAOYSA-N 439.468 1.765 30 10 IDEE CCOc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)ccc1OCC(=O)OC 728762399 IHSRJHPVVDUTTL-UHFFFAOYSA-N 432.454 1.769 30 10 IDEE N#C[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 731203152 KVNXYJWLDLMCQH-AWEZNQCLSA-N 428.308 1.502 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731313247 VAZBMZBDVVBKLS-KRWDZBQOSA-N 437.481 1.970 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 733154381 DTLLSQRXOZMWIB-IJQWPOQNSA-N 431.452 1.495 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(CCC)c3)c2=O)c1 735068792 LHHXSOMMIKYQMM-UHFFFAOYSA-N 445.548 1.514 30 10 IDEE COc1cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1Br 747266156 GYGLLIMVDWWKTC-CCEZHUSRSA-N 430.280 1.262 30 10 IDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 753205966 RYSMOWAKPHUBEY-MNEFBYGVSA-N 427.505 1.825 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 753205968 RYSMOWAKPHUBEY-SNRMKQJTSA-N 427.505 1.825 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 774352692 VRUCDYRRCHRUPN-INIZCTEOSA-N 440.518 1.944 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 780391595 ZLVVYMPANDPNTI-NRFANRHFSA-N 435.546 1.799 30 10 IDEE CC(C)(C#N)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 782101072 LQHQJTNYBMLKBW-UHFFFAOYSA-N 430.324 1.750 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1 788818892 RPWNWPGRARSHCE-QHAWAJNXSA-N 440.544 1.857 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCSC)c2=O)cn1 794642004 IMPKDJRLXJSMOM-INIZCTEOSA-N 446.598 1.378 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)=NO1 798972740 GSMCGKGUJWHOGY-KGLIPLIRSA-N 437.497 1.627 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 805786081 MIXWIWFDFMEPGK-IBGZPJMESA-N 430.530 1.942 30 10 IDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC 916925193 ZLRQOPHLKKATQU-GOSISDBHSA-N 448.479 1.561 30 10 IDEE CS(=O)(=O)CC1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1129312752 QCYDWCBVCXRUIC-UHFFFAOYSA-N 427.548 1.212 30 10 IDEE CCOc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)nn1 1148537701 NIQUNRISJOAENW-UHFFFAOYSA-N 444.517 1.030 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)C2=O)cc1 1154116251 CCQAIOSWGHQBJB-ZWKOTPCHSA-N 439.493 1.795 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 1156560082 FOAIFLPCWSNNPJ-GOSISDBHSA-N 447.948 1.610 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1168708501 LZJZDLMCOUEQQO-UHFFFAOYSA-N 442.541 1.754 30 10 IDEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1174846671 WQGSQZQDBOVNRF-UHFFFAOYSA-N 443.569 1.644 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)CC1 1204122918 WEMYSPGNEDFUIA-UHFFFAOYSA-N 447.586 1.968 30 10 IDEE C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCCCS(N)(=O)=O 1209063664 FOPCZHQODBYHGQ-UHFFFAOYSA-N 443.360 1.975 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC1 1227217159 DBGQWGKKLMDLEP-UHFFFAOYSA-N 442.925 1.497 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 1253170039 YEZCBKFQKJFMAF-CALCHBBNSA-N 427.571 1.142 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1286382669 KBBHTTOCLFDTRB-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCC2)CC1 1286781961 GIGVATYACXGBCW-UHFFFAOYSA-N 425.493 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1286787511 VQNCHDNFWACHLT-SFHVURJKSA-N 432.532 1.748 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 1286793003 ONSHJEUQEBVAMS-UHFFFAOYSA-N 428.537 1.698 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOCC3(CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793264 BGSSIWMNIYWCJK-QFIPXVFZSA-N 433.553 1.628 30 10 IDEE N#C[C@@]12CN(C(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1289201476 OPVAPIVNDDYVQK-QFYYESIMSA-N 443.382 1.436 30 10 IDEE CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291349024 DEASMRBOKOJPGS-ZDUSSCGKSA-N 447.565 1.859 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1293560438 JVVCGFPBFNZLCY-MAUKXSAKSA-N 432.550 1.760 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1293869021 JGHLXSFSIQWCBN-BHIYHBOVSA-N 429.569 1.859 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC)c1 1300334979 XKADUSRWTXLHQE-KRWDZBQOSA-N 445.545 1.273 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1300363633 FUDMLUYEELTUIQ-DYESRHJHSA-N 436.578 1.758 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC2CCOCC2)c1 1300459713 VRDJFAZYEQFNOD-QGZVFWFLSA-N 445.545 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2c(CC)nn(C)c2OC)CC1 1300712677 VKHFOPDEGBCCOD-UHFFFAOYSA-N 441.580 1.894 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1300952348 SJYFRZIJWCJVSY-IRXDYDNUSA-N 441.598 1.971 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1301002933 AUDGYDRCMPRLEX-MRXNPFEDSA-N 447.565 1.063 30 10 IDEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1302504813 CJNPHLARERFWTF-PBYQXAPXSA-N 431.497 1.669 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNS(C)(=O)=O 1302957206 ZZIUHEZZKCOMOM-UHFFFAOYSA-N 445.593 1.614 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccccc3SCC(=O)N3CCCC3)C[C@H]1CS(=O)(=O)C2 1304002593 UVFDBJCPKYLZLH-YWZLYKJASA-N 433.555 1.411 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@H]1N1CCOCC1 1305149221 NSLFAGWNJNFOPT-NQIIRXRSSA-N 440.548 1.373 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCn2cc(Br)cn2)cc1 1316530397 HZPNVOSFZJBJBO-UHFFFAOYSA-N 441.293 1.412 30 10 IDEE C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 1317742755 ZOSDMWRVQBFXLO-FVOVHSBVSA-N 435.484 1.942 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1358888318 KTXSBXHVIKUHQF-HZPDHXFCSA-N 427.596 1.356 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359014064 VXUWHVISEUETMX-NRFANRHFSA-N 432.546 1.483 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1359024641 RTZDCFYJDZPRRR-RBUKOAKNSA-N 437.610 1.387 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCCC)nc2)CC1 1359028558 WKLXKTFLKAWCIE-UHFFFAOYSA-N 425.537 1.404 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359103271 MDRMJDHAXRBFPP-IKVWTGGYSA-N 433.553 1.622 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1COc2ccccc2O1 1359282770 PKXPJIUDHKWOJG-QGZVFWFLSA-N 427.505 1.879 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1 1359326792 JXLMODIFZXCEOF-INIZCTEOSA-N 448.549 1.532 30 10 IDEE N#C[C@@]12CN(Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1460825208 AUIPHWSKSXPWNJ-BONVTDFDSA-N 446.842 1.705 30 10 IDEE CCOC(=O)[C@@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCOC1 1461895435 DXZVDTDJDLQTDW-HTAPYJJXSA-N 442.472 1.239 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)C1 1475668025 YVTXZJMTZZODSH-INIZCTEOSA-N 429.564 1.223 30 10 IDEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1501946821 AHRIQRZGNNKGAJ-UHFFFAOYSA-N 445.593 1.630 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H](C)O1 1504736331 TUGHVUSLEIGDKT-OXQOHEQNSA-N 442.520 1.495 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1505083692 ZVPDQIBUWGYBMV-SCTDSRPQSA-N 441.492 1.133 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507632091 WNASTJVIPMNFDF-OAHLLOKOSA-N 433.925 1.450 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1507690352 RHSLEAFWSUAZTE-GOSISDBHSA-N 433.534 1.127 30 10 IDEE C=C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1507882398 HJPSXFDGVMLBPM-UHFFFAOYSA-N 432.488 1.155 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507952634 WZDBAROXBRWIRO-AZUAARDMSA-N 443.596 1.356 30 10 IDEE CC(C)Cc1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509177005 BMBQIPDOFAYUCG-QZQOTICOSA-N 429.569 1.970 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1512525578 AHOSPQMUCAGLTR-WMEZAZGNSA-N 427.553 1.775 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1518728848 IIBRKDFFWUSDTM-INIZCTEOSA-N 447.490 1.738 30 10 IDEE COC(=O)CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C1 1520809977 BVTOMJAICIKRLC-GOEBONIOSA-N 432.908 1.660 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(C)(=O)=O 1539003849 QVOXZLQUNFFMFY-HNNXBMFYSA-N 428.518 1.997 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1539171918 PKROUAJBAQFVNL-QGZVFWFLSA-N 436.516 1.940 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1539180041 VNGJUHOPEAEPDI-INIZCTEOSA-N 432.550 1.053 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1539526392 OBYRNBXTAFYHKG-UHFFFAOYSA-N 430.582 1.358 30 10 IDEE C=C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1539841602 IYICWUMUOCIVGO-UHFFFAOYSA-N 431.500 1.760 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540198896 SRGVILZIGVELPO-IRXDYDNUSA-N 427.571 1.092 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540872836 BUBXFZKGKTWHCJ-UHFFFAOYSA-N 443.577 1.570 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H](OC)C1 1540874758 RECRXJFWSHPYPV-LSDHHAIUSA-N 432.550 1.433 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCSCC2)C1 1540896019 DPEZZBXAHNKYRF-OTWHNJEPSA-N 437.610 1.832 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2)CC1 1540901592 JBKPLYYKCVPTMU-UHFFFAOYSA-N 447.609 1.734 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1540903661 GNBWKCNWZBHYNM-UHFFFAOYSA-N 446.639 1.871 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1540912119 NCSCXWZFEJGEAA-KRWDZBQOSA-N 431.518 1.544 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)c1 1555792302 BHNCKNIPNDFSEP-SFHVURJKSA-N 430.469 1.082 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)Cc1ccccc1 1587561744 HYQDASMZWUPZNY-OKZBNKHCSA-N 432.594 1.867 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1588140684 ZTFKZMFVHJVZDG-JKSUJKDBSA-N 443.495 1.137 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOC1=O 1588218999 IMKKSLRCKFHIHS-UHFFFAOYSA-N 445.483 1.899 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N(C)C 1588647276 TUMPFFNKBSLNKP-SFHVURJKSA-N 426.569 1.488 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1593696334 NOEBLLPLXCHTQD-WBVHZDCISA-N 437.570 1.556 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1 1593806656 CWKJIWSKODMOMN-AWEZNQCLSA-N 434.994 1.188 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1595562452 ZLDVQGCUFFFPAJ-UHFFFAOYSA-N 436.520 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1595805762 UBVAUSRKYVARCY-SFHVURJKSA-N 447.609 1.973 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 1596012774 DQIKPECRHBURGN-UHFFFAOYSA-N 435.532 1.777 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1603097929 UGVVOLYSLDUWFQ-GRNWLOBZSA-N 439.520 1.671 30 10 IDEE CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1606575120 PDJBGNVYXMWWRG-MRCUWXFGSA-N 443.552 1.308 30 10 IDEE O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648963 PCERWDQORSBWMG-CALCHBBNSA-N 427.457 1.456 30 10 IDEE CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1614471212 ZXBCZYZJQHTFND-SFHVURJKSA-N 443.577 1.964 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1616235539 ZOSXHMOMEWXRRM-KKSFZXQISA-N 428.493 1.548 30 10 IDEE Cn1ncc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)n1 1618486322 AOTAYCBXDBXKBX-AWEZNQCLSA-N 446.313 1.526 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)CC1 1620353987 ZMEKCOWVLCSJJP-ZWKOTPCHSA-N 437.566 1.506 30 10 IDEE NC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620361519 SQQCPYHQXDWRFA-BSBNDGSWSA-N 441.536 1.239 30 10 IDEE C=CCCC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 1624384749 KBLFOCQCUHMZPU-OAQYLSRUSA-N 434.606 1.763 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1624811202 KBADFMNOQZYWQX-RTBURBONSA-N 443.548 1.944 30 10 IDEE Cn1c(=O)c2cc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)sc2n(C)c1=O 1628900454 GJCSJAATFCPDNH-INIZCTEOSA-N 441.488 1.460 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 1636475840 ZFLJWEUDDDEWOG-UHFFFAOYSA-N 434.345 1.764 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1637389508 IDRWBHQXUKHXJX-ZDUSSCGKSA-N 433.452 1.548 30 10 IDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C(=O)OC 1637696411 DBIRPEBYIORJQU-AWEZNQCLSA-N 449.312 1.309 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)c(=O)nc1O 1638384618 ODMJRBIJGYDPHZ-CYBMUJFWSA-N 434.250 1.406 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)CC2)cn1C 1639961820 IIFAAYZKGKWCNM-IBGZPJMESA-N 445.545 1.193 30 10 IDEE N#Cc1cccc(C2(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCOCC2)c1 1641661745 FIUHXFNPHQTCKD-UHFFFAOYSA-N 438.509 1.809 30 10 IDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cnn2c1 1642708953 AAPDGIINGIPTPX-KRWDZBQOSA-N 439.520 1.609 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c1 1643543942 FSUFATWOKXOXMK-AWEZNQCLSA-N 433.452 1.824 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385327 QGGBPXAJLXWMDJ-INIZCTEOSA-N 427.567 1.519 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)c1 1652746269 GHLARLFSANXRKM-UHFFFAOYSA-N 437.543 1.962 30 10 IDEE CCS(=O)(CC)=NS(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1653523945 BKSKHWUTKOHKQT-UHFFFAOYSA-N 427.508 1.681 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1669003014 MWJLQKKKPWNLJH-UHFFFAOYSA-N 444.532 1.790 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)cc1 1673398884 RLUKRLGLVMGSRY-OYRHEFFESA-N 437.562 1.872 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)C1 1685177530 XLDPESBHOGSMMC-ZACQAIPSSA-N 430.471 1.342 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cnnn1 1689850944 JTUQPZYKDDQDGZ-MRXNPFEDSA-N 443.556 1.927 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCCC1=O 1689998412 LMBRAJFBODRLRE-UHFFFAOYSA-N 432.528 1.660 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1690047768 YNLZSAQNYXNENO-GOSISDBHSA-N 433.578 1.654 30 10 IDEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1690185702 DQYTXLZDFYOLJR-INIZCTEOSA-N 448.593 1.995 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@@](=O)C(C)(C)C)CC1 1690396473 CRAKHPGSMVQNSI-PGGUUEOZSA-N 431.628 1.838 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(NC(C)=O)c1 1690527225 LJVFEINQMBZDCB-SFHVURJKSA-N 448.549 1.240 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 1690670555 DUAMWKBETDOPBS-QGZVFWFLSA-N 448.568 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690723951 FBPOUKGPTHDRGO-QZTJIDSGSA-N 439.626 1.624 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)N(C)C 1692721714 GQBPCIHIDYPTRO-INIZCTEOSA-N 441.536 1.150 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1696749176 BEYSMGBCBYPFPZ-SFHVURJKSA-N 432.550 1.761 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc([C@H](C)O)cc1 1698255449 SKPSZLBVAJBXOO-KNTRFNDTSA-N 427.505 1.832 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOCC2CC2)CCO1 1698492580 HZBFXKKKABAENG-MRXNPFEDSA-N 430.534 1.815 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1705475535 MMYPTAFYAXGOIT-DYESRHJHSA-N 432.594 1.180 30 10 IDEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705517656 AEBQADARRVCELG-UHFFFAOYSA-N 428.581 1.941 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1705588053 UEMBYNDONIXDDJ-FQEVSTJZSA-N 426.565 1.478 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1705674294 FBHKGHWYQSINGH-TXPKVOOTSA-N 439.607 1.499 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705733604 RQNFLXUYRAUCQW-KRWDZBQOSA-N 448.545 1.932 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC1CC1 1705754585 BQBUYKOQFSEZLM-HNNXBMFYSA-N 433.962 1.226 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1705755744 XSMQYKMNRKCHCV-RHSMWYFYSA-N 448.014 1.697 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)COC)CC1 1705782432 WYNZFHNPWSUNSP-WBVHZDCISA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705903869 XIEOAASISNHQLD-KRWDZBQOSA-N 441.536 1.731 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)C1 1705917093 UJWJDNHABBMXSF-QAPCUYQASA-N 435.550 1.210 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1706852795 GSEMLZWOIIVCNJ-QRWLVFNGSA-N 448.549 1.202 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1nccc(C(F)F)n1 1707911430 GXDYMFSKKROFNP-LBPRGKRZSA-N 426.435 1.739 30 10 IDEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1708096630 DTZMMQBLCUITSI-KRWDZBQOSA-N 437.548 1.915 30 10 IDEE COCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712370533 ZPLGLPBMRPQQGR-DLBZAZTESA-N 426.525 1.585 30 10 IDEE COCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1712425205 BMRLPCWFUJUOBC-IBGZPJMESA-N 446.577 1.266 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722352665 KCLTUUXFPKAWFT-LUKYLMHMSA-N 444.536 1.323 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C)C(C)(C)C1 1722447432 NGMHWUKXIXTJHE-UHFFFAOYSA-N 425.581 1.761 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCOCC1 1722728244 TZCAACBDAUUODD-UHFFFAOYSA-N 442.545 1.958 30 10 IDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)cn1 1729571180 VFUAVZURSUOMDV-GOSISDBHSA-N 446.581 1.070 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CC=CCC1 1730870723 QSKAPHCGZQKETL-ICSRJNTNSA-N 429.569 1.441 30 10 IDEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCOCC1 1730880722 KFFYQBQNMBYTAY-QGZVFWFLSA-N 432.525 1.181 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1740567368 QOXMEIJNHMKXHJ-CQSZACIVSA-N 435.554 1.767 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)CC1 1740578756 FWMLTBRLHOMEOS-ICSRJNTNSA-N 427.553 1.866 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740589006 MAPNSQGXMLHFTB-CQSZACIVSA-N 428.518 1.877 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCc1ccccc1 1740612471 TWHYRQNMTHSXCU-UHFFFAOYSA-N 427.512 1.945 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)Nc1ccc(F)cc1 1740631984 NYZGZYPHFVOJPS-QFIPXVFZSA-N 425.464 1.781 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1740703684 AYYNUCHELULNNR-UHFFFAOYSA-N 443.511 1.453 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740749740 DHDXBRCLYDZNEA-YDHSSHFGSA-N 446.596 1.699 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CS(C)(=O)=O)CC2)C1 1740970397 KLHFVDPWGVXASG-MRXNPFEDSA-N 437.566 1.120 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CCC)C2)C1 1740982640 VOHISSMRGRJQKW-GBESFXJTSA-N 437.610 1.693 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1748672523 UTXMUSSTKVYRAG-LSDHHAIUSA-N 439.582 1.941 30 10 IDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748740538 UEMMJMNIQHOEDE-SFHVURJKSA-N 447.561 1.891 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748812645 YOLUZMBOVTYDLW-RYRKJORJSA-N 432.550 1.423 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1COCCO1 1748913459 VVQOYIPIEFCEFX-QGZVFWFLSA-N 446.577 1.812 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1748929882 RNHQNXGXWJQYKQ-LJQANCHMSA-N 446.577 1.407 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](COC)OC)CC1 1748989266 JRHYCNIXUMZRBW-PXNSSMCTSA-N 427.505 1.207 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749225958 MAJIYNBVUGSMOE-HOTGVXAUSA-N 445.524 1.906 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1749292040 NTOSGFBJOIECDB-QHCPKHFHSA-N 441.532 1.999 30 10 IDEE C=CCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749439857 LAQQMYIPZMONQZ-QHCPKHFHSA-N 447.580 1.972 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1749537935 CJQKWYPVFSXVIG-OAQYLSRUSA-N 440.529 1.477 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749677308 VMYABXBGKMXDSM-LJQANCHMSA-N 427.553 1.723 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749723850 BUJQSVFUYCXKPN-NRFANRHFSA-N 440.529 1.276 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1749755960 OQMIMDXWUFONER-HNNXBMFYSA-N 428.580 1.489 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1ccnc1C 1750028758 PTZDYAGWYTTYCY-LPHOPBHVSA-N 428.541 1.384 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)(F)F)CCN1C1CC1 1750386077 GRTQLCNOYDHDIQ-UONOGXRCSA-N 427.431 1.332 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760163487 YTOHEMWLDJJESN-QHCPKHFHSA-N 436.564 1.828 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC(OCC)C1 1760165029 HLYWWFUQTNJSOI-UHFFFAOYSA-N 446.577 1.546 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1cccc(C)c1 1760174445 GFNYHAMWBSSVAJ-IEBWSBKVSA-N 447.561 1.456 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1760219274 ZLXSWUWPNLAUKE-QGZVFWFLSA-N 428.514 1.406 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1760220106 WKSNCIBVBQJTMN-IBGZPJMESA-N 445.520 1.261 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760238356 RZWRANOAGGDCLH-OAQYLSRUSA-N 436.560 1.475 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CCC)OC)CC1 1760402315 JYXZVSOQWKZEQH-QZTJIDSGSA-N 441.598 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1760554506 FPMOWNGPBHESBU-QGZVFWFLSA-N 425.599 1.820 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)n1 1762457947 BNMQTIWMQMJSFB-YLJYHZDGSA-N 430.582 1.306 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1763040463 UVKNWSWJSVEQTK-OAHLLOKOSA-N 431.456 1.909 30 10 IDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)OC 1764281490 DVYMTVVBJZAWMS-IRXDYDNUSA-N 426.477 1.795 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCNC(=O)C(C)C 1764909574 NXMQZAINMSKVHY-UHFFFAOYSA-N 427.557 1.243 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1767213994 GUSWFRSYQUNTAB-UHFFFAOYSA-N 447.547 1.280 30 10 IDEE CCOCc1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767829933 HFNKKFWAZXJOHZ-UAFUQJIBSA-N 444.536 1.594 30 10 IDEE COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769543455 VIEMEOVHEZNGBO-MSYCTHLASA-N 440.548 1.947 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)C)CC1 1769950302 KZXRUFSQOKMFJB-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1770325975 AONKWWQGVMMJMR-OALUTQOASA-N 445.545 1.841 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)C 1771213825 MZXMQOZHTYRFFN-MSOLQXFVSA-N 442.568 1.545 30 10 IDEE C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1849022142 XTYRNPJNIYWYFK-CQSZACIVSA-N 440.516 1.858 30 10 IDEE C=CCN1C[C@H](C(=O)NCCn2ncc3c(=O)n(Cc4cccc(C)c4)cnc32)CC1=O 1850206646 NMYVBXDCMCAEFH-GOSISDBHSA-N 434.500 1.100 30 10 IDEE COc1ccc(OC)c(-c2ccc(=O)n(CCC(=O)NCCN3CCC(C#N)CC3)n2)c1 1850670904 DKNNKYVYZXCQOQ-UHFFFAOYSA-N 439.516 1.669 30 10 IDEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)CCCN1CCOCC1 1851928972 RCGWMANBNLLHOH-UHFFFAOYSA-N 427.958 1.446 30 10 IDEE CN(C)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1852968438 LHUNLJHUVFIARM-MRXNPFEDSA-N 428.352 1.283 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(OC(F)F)cc3)C2)CC1=O 1856808651 IAFDLEHPYZUNTE-GXTWGEPZSA-N 446.428 1.170 30 10 IDEE C=CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563896 NQWZTNLBSFXJBV-UHFFFAOYSA-N 430.509 1.291 30 10 IDEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(N(CCO)CCO)ncnc21 1873595370 ZULZWAJZDGEGAW-UHFFFAOYSA-N 430.553 1.014 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230929 TWFAVEQKMRGVAM-UHFFFAOYSA-N 443.508 1.080 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230964 UQEUGDJUZOXOFY-UHFFFAOYSA-N 448.531 1.523 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(C#N)cc1 1892001016 SZNVUCZQJHRGPN-SNRMKQJTSA-N 435.571 1.503 30 10 IDEE Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)N=C4CCCN4C)cc3)nc2n1 2040797482 IPAZVOPVCMYZBL-UHFFFAOYSA-N 427.490 1.806 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2060624903 DFBYQTABFZLSJA-CABCVRRESA-N 437.346 1.807 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416349 QRURYSCYHCHGBP-TUAOUCFPSA-N 438.359 1.747 30 10 IDEE Cn1ncc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2255545150 LKKUTMZTMUNAFY-HNNXBMFYSA-N 434.346 1.752 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)n1 2255604566 GOGGTAAPENBMKN-UHFFFAOYSA-N 437.350 1.538 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2255610434 YVWJWQNTQXSWJC-ZDUSSCGKSA-N 435.334 1.101 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255615323 QHHJYRBIXIIREF-YWVIFJGQSA-N 432.330 1.314 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255828213 REIAPLWXDDYAFG-CMPLNLGQSA-N 430.236 1.381 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 2267115581 JSIGBFNNDPKGLF-ZWKOTPCHSA-N 437.353 1.461 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2267121767 BTYGQNLTPLZWMJ-IAGOWNOFSA-N 439.369 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267197292 XJRAOCNVYOLBJL-CFVMTHIKSA-N 448.329 1.073 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267494031 BHQATKBVPRDNOH-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2334263859 PMDDJLJCHTWBSN-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2337299720 VQPXONWJVDBUQP-RBSFLKMASA-N 446.357 1.705 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)OCC(=O)N(CCC#N)c3cccc(Cl)c3)cnc21 11483435 PASAOQFCUMZDRT-UHFFFAOYSA-N 428.836 1.273 30 10 IDEE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815033 ZVQYFXWPLRACRC-OQKWZONESA-N 430.530 1.995 30 10 IDEE CCOC(=O)C1CCC(O)(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 429046715 IVZXEVLIYCJPSK-UHFFFAOYSA-N 435.546 1.349 30 10 IDEE C[C@H]1CCc2nc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)sc2C1 435319538 MASUDSSGDPUPMO-GUYCJALGSA-N 437.525 1.995 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 441206615 XEYJYWDCIMEELP-WLHCIVTGSA-N 431.514 1.860 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CC(C)C 447283206 QDVMDRGJTUSSTB-UHFFFAOYSA-N 430.480 1.745 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@H]1c1ccccc1 467749053 LHVONFFFDUDVOI-RBUKOAKNSA-N 441.509 1.826 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)c1C#N 472271025 BJNQHYRKLVRJOT-MRXNPFEDSA-N 448.574 1.164 30 10 IDEE N#Cc1ccc(OC2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)cc1 476998501 ALDMZHHLEMOHPG-UHFFFAOYSA-N 449.554 1.710 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cn2)C[C@H](C)O1 499678985 RMJKKWXFZQNDOL-ROUUACIJSA-N 435.532 1.994 30 10 IDEE Cn1c(O)nc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc21 502271747 WGTLJKYONGXNFP-UHFFFAOYSA-N 425.470 1.297 30 10 IDEE CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 504151690 IVASDBAVGBDBEC-UHFFFAOYSA-N 434.543 1.982 30 10 IDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@@H]1CCCCO1 521278255 HHDHFLXHYICFHX-SFHVURJKSA-N 444.561 1.792 30 10 IDEE Cc1ccc(C(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)cc1S(=O)(=O)NCC#N 547271257 AKEDIDIWODXFPD-QGZVFWFLSA-N 432.502 1.833 30 10 IDEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555243797 KBRABLSOVXNCPQ-OAHLLOKOSA-N 434.422 1.687 30 10 IDEE C=CCN(CC=C)C(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 586096651 YBYSGMKSXGWKEX-UHFFFAOYSA-N 434.562 1.925 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@@H]1CCCO1 590915833 VZLWIOOKXGNXEZ-LBPRGKRZSA-N 435.958 1.585 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 642710776 IXPVCWJPUGUMIT-SJLPKXTDSA-N 449.581 1.434 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc(C#Cc4cccs4)c3)CCN2C1=O 675600115 HAPVXBUVPGVAEC-GOSISDBHSA-N 436.493 1.581 30 10 IDEE C#CCC[C@@H](O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br 717904400 RXJNYDNZPGKGAC-SECBINFHSA-N 426.130 1.846 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(Br)cc1Cl 731851032 DDFDLQIYRSNCSQ-YPKPFQOOSA-N 434.699 1.907 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 731974652 BYMIQUXFTVVTAI-GIRQTYMOSA-N 441.513 1.906 30 10 IDEE CS(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1Br 732152647 FQFGSVVXMMOMJN-PEZBUJJGSA-N 442.291 1.109 30 10 IDEE O=C(CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)Nc1ccccc1Cl 733886056 GCZRSCIEQZZNHG-QZQOTICOSA-N 445.907 1.339 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)cc2C1=O 734974970 IAUGUOMLBUZLLS-UHFFFAOYSA-N 441.465 1.289 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OCC)cc3)c2=O)cn1 735069237 PUHDOKQILDMUOZ-UHFFFAOYSA-N 437.525 1.153 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)/C=C/c1cccc(Br)c1 735081096 KSYYGRWIRGYUHC-XEIPJVJCSA-N 426.292 1.866 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 751684671 KOCDXBPCBXMMOA-HOTGVXAUSA-N 438.933 1.216 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)COc2cccc(C(=O)NC)c2)c1 759871555 QZUCAJVMIRFBJU-UHFFFAOYSA-N 435.480 1.298 30 10 IDEE C[C@@]1(CCc2ccccc2)NC(=O)N(NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 767533180 IDLFCEORCNEELV-FQEVSTJZSA-N 430.461 1.975 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NC2CCCC2)C1=O 771578860 RDOZCXNMNRPSPJ-NYHFZMIOSA-N 426.473 1.538 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CCN1C1CC1 781529277 JAYUQHLUAKISMI-RBUKOAKNSA-N 436.965 1.947 30 10 IDEE Cc1cc(C)c(N2CC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)c(C)c1 789329504 KNUKXYAIXXCBEF-QGZVFWFLSA-N 440.525 1.572 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H]2CCSC2)C1=O 794440717 IBZWVZYAKPSJPP-WEILNZSZSA-N 435.619 1.498 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 794579502 LBJXKZHLBLLBHR-GJZGRUSLSA-N 445.566 1.353 30 10 IDEE C=CC[C@]1(C(=O)NS(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 802160373 WZXGLQNVDZJFMK-BIENJYKASA-N 432.539 1.976 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 809427748 ABHORTJHNPYXGX-UHFFFAOYSA-N 433.468 1.738 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811457869 ONJFEWYLBVDHTC-WMLDXEAASA-N 436.534 1.598 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2cccnc2C#N)o1 813309170 VKCPOFVTPIJKEQ-OAHLLOKOSA-N 433.442 1.619 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)cc1F 813697886 NVWVYOCHTGCOGK-GOSISDBHSA-N 445.472 1.872 30 10 IDEE C#CCn1ccc(CN(CCOC)c2cnn(-c3ccccn3)c(=O)c2Br)n1 814884382 VREAFFZOMAZHAQ-UHFFFAOYSA-N 443.305 1.873 30 10 IDEE CCN1C(=O)c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2S1(=O)=O 917522617 INBGHJJJQRAAHR-UHFFFAOYSA-N 425.470 1.080 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(I)c1N 1137537871 YTGONIPXKPDZJV-NSHDSACASA-N 448.268 1.886 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)C1=O 1139684821 SLQNTYUCJOGPFG-HXUWFJFHSA-N 436.513 1.936 30 10 IDEE C[C@@]1(C#N)CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCO1 1179394021 QINKRWXMZUWAQW-CQSZACIVSA-N 425.816 1.778 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1195262211 ZACIAJNXIFTNEH-UHFFFAOYSA-N 439.603 1.579 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1251164843 OXCCDWRUAYQIOA-CVEARBPZSA-N 444.351 1.809 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1254049068 VNZATJNWHCUXAN-QGZVFWFLSA-N 430.509 1.421 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286389148 GHKGETCNKAKWOZ-SFHVURJKSA-N 447.605 1.821 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286389286 HJKGEOHTSTZKEU-DLBZAZTESA-N 431.493 1.043 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1286422629 NFVQAZHMTOEHHT-UGKGYDQZSA-N 448.589 1.606 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(N(C)C)CCSC2)CC1 1286482356 QHWFXUDVIJPZQA-OAQYLSRUSA-N 445.662 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCCC2)CC1 1286493438 VGRAVMYSSTZGGB-UHFFFAOYSA-N 439.564 1.411 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286777792 LRJCIPDWLNREGT-QHCPKHFHSA-N 446.596 1.641 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(CCOC)CC1 1286779794 MRKKPYOHMMYEKN-UHFFFAOYSA-N 449.559 1.872 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1286798841 LRXQIYHISUOIFN-LJQANCHMSA-N 447.561 1.824 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ncnn1C(C)(C)C 1297187359 ADYFTHAUIVMPNY-UHFFFAOYSA-N 437.508 1.744 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300487913 NHDJBFZVTMYIQM-QGZVFWFLSA-N 444.561 1.129 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300505173 YQYIIXAWRGNTJH-RTBURBONSA-N 437.610 1.562 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(C)C)N1CCOCC1 1300527750 KKOBDZJEGIGQIH-IBGZPJMESA-N 438.532 1.435 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300723574 WJVSTOCALVSCHF-SBUREZEXSA-N 438.532 1.154 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCn2cc(C)cn2)CC1 1300725427 HIUJFUCYNGVACX-IBGZPJMESA-N 425.537 1.343 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300733516 KOQCLLOHIXKUOW-QGZVFWFLSA-N 441.561 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(c2nc(C)no2)CC1 1301588177 CHFCSGZLLKGINS-INIZCTEOSA-N 436.538 1.458 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301717975 XZHGKRURFSMXIV-MOPGFXCFSA-N 440.504 1.899 30 10 IDEE C[C@@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CCCO1 1305219235 ADMSDJAXTZUIMX-GOSISDBHSA-N 429.569 1.641 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H](C(=O)OC)c3cccc(Cl)c3)CC2)C1 1313291339 IWWRYSZNKPHXRG-UXHICEINSA-N 432.952 1.979 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1)S(C)(=O)=O 1313798675 AUUMIBQONNSFCL-INIZCTEOSA-N 432.550 1.713 30 10 IDEE CN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CC1=O 1314930786 UMPYNESHFAELFX-UHFFFAOYSA-N 425.474 1.061 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1315035587 RONIIDJSDPHMKS-XUTLUUPISA-N 437.504 1.352 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1316357692 XRMQZBWELLHFIE-RTBURBONSA-N 444.561 1.761 30 10 IDEE COc1cc(C#N)ccc1OC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1348112289 BXXCVYWAYUFRBH-JLTOFOAXSA-N 436.486 1.754 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ncc(C#N)cc1C 1351455877 CDNSSJWIAAHFMQ-UHFFFAOYSA-N 429.502 1.459 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1 1358876922 SZJJADBXPSZPRT-SJLPKXTDSA-N 447.561 1.459 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1358934160 RVQWLOZDOKOBSA-OAQYLSRUSA-N 448.527 1.970 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358955327 JYMPPBNVKVQOKD-HNNXBMFYSA-N 430.596 1.242 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358965012 MCYUNPAGGTZYJS-IRXDYDNUSA-N 437.591 1.686 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1358969613 SLJQIZLCOKHNDL-OAHLLOKOSA-N 446.602 1.539 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1358979386 KVGCZOVUEOCANN-LJQANCHMSA-N 449.577 1.033 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1359016994 QWMPGNVYCDCQDS-IPMKNSEASA-N 427.480 1.548 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1359294978 LAFLGSPDBUNWNQ-CYBMUJFWSA-N 440.426 1.654 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cccc(OC)c2)CC1 1359298604 GFNLTEBWHQHOTN-IBGZPJMESA-N 438.532 1.924 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1359305366 BHBGBXSYXXSSJS-HTAPYJJXSA-N 449.552 1.007 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1359473393 BIVFKEMUGKXMDI-MRXNPFEDSA-N 425.541 1.526 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1359564095 GPBVMFAVAWMZLF-BBRMVZONSA-N 441.492 1.846 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)C2)c1 1454243356 FHQSERAZFPJFBT-GOSISDBHSA-N 425.876 1.508 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1 1454619353 YFRCODVGLUWAGS-QGZVFWFLSA-N 449.891 1.926 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](CNS(C)(=O)=O)C3)C2)C1 1455497600 VRVLNFWNEKAZSA-JQCXZVQFSA-N 440.566 1.171 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)c1 1455735009 CEKBVXYHWJOTEU-MRXNPFEDSA-N 431.518 1.354 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(CC#N)cc3)cc2)CC1 1461156114 PKRMNDAWFYXPHF-UHFFFAOYSA-N 440.525 1.535 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cc(C#N)ccc3O)CS(=O)(=O)[C@H]2C1 1466536779 IOUOCJYNRJWHCQ-CPUCHLNUSA-N 435.502 1.873 30 10 IDEE CN(C[C@@H]1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1)S(C)(=O)=O 1467929277 SUFFJXSFRHTYMT-JKSUJKDBSA-N 430.571 1.704 30 10 IDEE Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1469729342 KYAAJZLUUMOFLM-YSVRDODPSA-N 444.536 1.703 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1471329985 XKYFDZBNVMHMOG-KHIZAZIESA-N 440.319 1.852 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSc2ccccc2Br)CC1 1471450895 LFFSOKGRMLPHPI-UHFFFAOYSA-N 446.392 1.543 30 10 IDEE COC(=O)[C@]12C[C@H]1CCCN2C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1472000899 GNWKXDGIUGOYSQ-VFNWGFHPSA-N 433.530 1.840 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)cc1 1475356592 CQZYZCIBWAADLS-UHFFFAOYSA-N 445.588 1.491 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)C1 1475668026 YVTXZJMTZZODSH-MRXNPFEDSA-N 429.564 1.223 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@@H](C)O1 1504722631 RHSZSXCTLPVCIP-XLIONFOSSA-N 428.537 1.635 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C[C@@H]1O 1505269639 CRERILVFDRBNMM-NQUPLYSKSA-N 429.546 1.847 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCC(F)F)CCO1 1505321458 AVROTYJEJBRYCW-CQSZACIVSA-N 427.415 1.603 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1507532752 ITQBWWPHXPJICV-INIZCTEOSA-N 446.515 1.541 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507589078 FKJPTAHIAWWUSL-MRXNPFEDSA-N 427.534 1.520 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1507612762 UWBULILEWIZZBE-UHFFFAOYSA-N 432.488 1.932 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1507616479 JXFRETGOIXPZQS-INIZCTEOSA-N 432.525 1.182 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1507668441 DHUNVMBDIDBLSS-UHFFFAOYSA-N 448.552 1.992 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1507712076 BWCPJOKFJMSZGS-FQEVSTJZSA-N 433.516 1.608 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1507719791 QFPUNKMIRSIINW-VIZSFHNOSA-N 429.565 1.667 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 1507732058 SEAOZARRGCDWRF-KRWDZBQOSA-N 427.553 1.280 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507784137 IHQAAHBNQCHOJQ-XJKSGUPXSA-N 431.356 1.706 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)CNC(=O)C2 1507965836 QQHQOIJSWRQMFG-UHFFFAOYSA-N 427.553 1.839 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1508115590 BRGGTJDNEUQZFP-UXHICEINSA-N 429.569 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1508140932 KLQAXGCVJFQWNZ-ROUUACIJSA-N 447.561 1.826 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1508162134 PFOPKOFVMOHWCN-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508814177 HOMRWCHNIWITJC-IBGZPJMESA-N 435.532 1.790 30 10 IDEE C=CCn1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)nn1 1529543573 FRAAPUDHXAGOOX-SFHVURJKSA-N 447.293 1.310 30 10 IDEE C=CCC(F)(F)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1531048137 GXWOQJJQKWASKA-UHFFFAOYSA-N 445.488 1.694 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1535344709 GUVDCEDDFJLMAQ-AUUYWEPGSA-N 425.844 1.783 30 10 IDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)nn1 1536910411 UVONCRGMZCAZGK-UHFFFAOYSA-N 431.518 1.384 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc2c(c1)OCO2 1539232956 VVFKTLKYRXDKFG-UHFFFAOYSA-N 444.451 1.806 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539315624 PYQHLXMXIYHLTD-SFHVURJKSA-N 426.546 1.393 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(CS(C)(=O)=O)CC1 1539377609 LCOYLZTYDFAPHO-UHFFFAOYSA-N 435.575 1.554 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1539423151 STIIDIXNYPZZJO-WIYYLYMNSA-N 435.594 1.424 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCN(CC)CC1 1539541150 AXCXEQQTJIIFSL-DNQXCXABSA-N 444.624 1.950 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)cc1C 1542424232 KGAFCZKOWREPBA-NRFANRHFSA-N 430.484 1.988 30 10 IDEE C#Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1544680437 DHOYEAUBTOMHOE-UHFFFAOYSA-N 433.530 1.375 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)[C@H](C#N)C1 1545289684 GJPUHUREDSHOFV-OAHLLOKOSA-N 443.435 1.459 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN(C)CCOC 1546578891 AFTXQXMXHJNXMB-LJQANCHMSA-N 425.537 1.500 30 10 IDEE CC(C)(CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@@H]1COCC12OCCO2 1564905855 GKFWKXGYUWYHST-IBGZPJMESA-N 432.496 1.945 30 10 IDEE Cc1ccc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1585056157 TWPADDCUECZOQM-UHFFFAOYSA-N 429.370 1.577 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc(C)ns3)CC2)s1 1586063601 LFIVJRNYHWYBDK-UHFFFAOYSA-N 427.577 1.264 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1587621099 OKNKWOGCIWAITJ-OAHLLOKOSA-N 431.504 1.700 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@](OC)(C(=O)OC)C1 1587664248 AIPSFCUUGKZQHM-GOSISDBHSA-N 441.278 1.889 30 10 IDEE Cc1ccc(C(=O)NCc2ncc(Br)s2)cc1S(=O)(=O)NCC#N 1588037609 LBNAYTUUGGPBSH-UHFFFAOYSA-N 429.321 1.946 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1588050264 QCAFQHWQZMGZLS-KRWDZBQOSA-N 425.518 1.241 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCC1 1588214249 NRFJZDUVAPPZGU-UHFFFAOYSA-N 426.546 1.616 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1588550387 PGKZSSDAKAKCNU-INIZCTEOSA-N 443.508 1.136 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1588752733 UARJVYUOEKKTHE-JRPXNJEYSA-N 437.610 1.233 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cn[nH]c2)CC1 1588955189 QCXSQFFCDOHGMC-UHFFFAOYSA-N 438.561 1.565 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1589198639 YWZFWARTGJRUQK-HSZRJFAPSA-N 433.516 1.662 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1cc[nH]n1 1595318285 ORZVQZUYYCCJDO-UHFFFAOYSA-N 441.366 1.624 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595501219 NNGBZRIPZPKNAE-FQEVSTJZSA-N 449.559 1.668 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1595658973 OWWLTAOHALFHIS-HKUYNNGSSA-N 427.505 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595772821 HIQLOPHUIBOVBY-OXQOHEQNSA-N 436.534 1.832 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1619543876 CJEOAHRSUVKWMS-MJGOQNOKSA-N 445.545 1.349 30 10 IDEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)n1 1619794428 FWUCWNQAYTYSMS-UHFFFAOYSA-N 438.492 1.550 30 10 IDEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2CC2(C(N)=O)CCOCC2)cc1 1620349560 OWKRSPMDBJRZHE-UHFFFAOYSA-N 438.532 1.840 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(C)(C)C 1620428708 RWEFTRSVBPOAQL-UHFFFAOYSA-N 439.578 1.823 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOc3ccccc3[C@@H]2CO)CC1 1620611904 LLZAJBNAPCSQEV-YADHBBJMSA-N 438.503 1.963 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCNC2=O)cc1 1633199381 FFDIBRABSWZTHK-AWEZNQCLSA-N 427.486 1.071 30 10 IDEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1633949489 HBPKVRGUYOFGBI-CQLPVEMMSA-N 445.932 1.630 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(Cc3ccccc3F)no2)c1 1634407676 AYTSKNMEOHATID-UHFFFAOYSA-N 428.445 1.641 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC(F)(F)F)cc2Br)CC1 1634876446 PQOGNBODGVHRNO-UHFFFAOYSA-N 448.239 1.855 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)c1C#N 1637228237 IAXXSRUAXMASMX-UHFFFAOYSA-N 437.548 1.593 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 1637850808 KPOYVKUSSZSYRO-UHFFFAOYSA-N 433.472 1.037 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1637885682 KKLFQFMPTXKUFG-LJQANCHMSA-N 440.525 1.750 30 10 IDEE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)cc1 1640264419 BDNMRHLAXKYLFJ-QGZVFWFLSA-N 428.514 1.814 30 10 IDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC#CCN2C(=O)c3ccccc3C2=O)C1 1644485569 PNMGOJMNGXASNJ-KRWDZBQOSA-N 425.485 1.020 30 10 IDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)C1 1644815712 RVSQYCCNEVVMHW-VQTJNVASSA-N 436.556 1.599 30 10 IDEE CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n[nH]2)c1C 1648155263 CBBGXUFLVKCWFU-NRKGENKXSA-N 430.534 1.871 30 10 IDEE N#Cc1cn(C2CN(C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)C2)c(=O)nc1O 1653759628 FAEIHOCSUPMFHD-UHFFFAOYSA-N 448.405 1.534 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1653839888 OJTZKPFCQASIJV-CYBMUJFWSA-N 440.522 1.418 30 10 IDEE COc1ccccc1[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 1654535155 UOFBJSPMNCAZLP-HXUWFJFHSA-N 425.489 1.585 30 10 IDEE CCOC(=O)c1ccc(CS(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1654988805 GMVFGZKUBMPLLJ-UHFFFAOYSA-N 431.518 1.429 30 10 IDEE Cc1ccc(-n2nc(C)c(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C)cc1 1655683729 MDVWWEGJKIXMOK-UWJYYQICSA-N 427.530 1.606 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689841648 LGPVEDJEHVDTGU-IAGOWNOFSA-N 441.532 1.915 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1689847499 AUUWIPCGPKOWSQ-OAHLLOKOSA-N 435.532 1.905 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCN(C(C)C)CC1 1689848389 UPPMIPDLWMQBPB-MRXNPFEDSA-N 428.537 1.699 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1689986432 PVOUHHOFCZCVMH-KRWDZBQOSA-N 429.546 1.406 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1690012302 YLEIFRSAPKYDEH-GOSISDBHSA-N 430.516 1.420 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@@H](C)C1 1690092639 PHJZDCQGMCRAGO-GOSISDBHSA-N 425.537 1.743 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2occc2C)n1 1690109603 XQBBACODQYCYRK-GOSISDBHSA-N 437.504 1.662 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)coc2C)CC1 1690135295 UMBRNNZPOZXHCJ-UHFFFAOYSA-N 438.532 1.738 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1690678258 PTLKEEOWQJJEIH-VQIMIIECSA-N 430.553 1.310 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCC2(CC1)OCCO2 1690724903 YOIQRVKNLFCVGH-MRXNPFEDSA-N 440.566 1.505 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690726867 OGZLJKDHLXRVOO-UHFFFAOYSA-N 441.561 1.425 30 10 IDEE CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695218403 FUWYBAGPIAYMJZ-GJZGRUSLSA-N 447.569 1.065 30 10 IDEE CCCN1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1=O 1695393061 RZOIJTBPDQYPIV-UHFFFAOYSA-N 425.493 1.362 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1696051516 DWKMJGJPEDBGFB-SFTDATJTSA-N 436.532 1.483 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696380542 YMBJBKMFMXHLQW-XOMICKMZSA-N 439.520 1.673 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1696501674 GFZJMUVYLXBPNK-INIZCTEOSA-N 427.893 1.375 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)OC 1697762276 HJBLEAISXNMZQR-MSOLQXFVSA-N 444.511 1.781 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705600555 CQSOJOBUJGQAHT-CVDCTZTESA-N 425.533 1.592 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NCCC)CC1 1705635481 ZSFIYBVSBVOIGC-UHFFFAOYSA-N 445.365 1.989 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1705649937 JEACCYWKMARYDY-RUZDIDTESA-N 448.571 1.621 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705657926 VSYMCRJJMFIGEW-UHFFFAOYSA-N 429.594 1.297 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705818456 KJTCXTWHSZJPSZ-HNNXBMFYSA-N 442.545 1.782 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(C)=O)C1 1705828977 DLTZQYVIPQWLET-MRXNPFEDSA-N 430.509 1.703 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1705861997 VXHDIXBOECUUIX-KRWDZBQOSA-N 427.534 1.550 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1705869591 ZIPUQYLWHWAHTC-MRXNPFEDSA-N 430.534 1.929 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1706748241 HCPVKTRHCZBTRZ-CQSZACIVSA-N 436.476 1.191 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1709014407 HXUFWPPVXZIWMP-KRWDZBQOSA-N 432.488 1.898 30 10 IDEE CCCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)N(C)C)c2ccccc2c1=O 1709805093 HPULLVKDYREOTQ-UHFFFAOYSA-N 448.531 1.893 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1710267689 AFPUIVCMPMOGDV-UYAOXDASSA-N 441.555 1.763 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)cn1 1711252928 DJEYSSMSVOESEJ-KRWDZBQOSA-N 425.518 1.589 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1712608051 BGAXEGGOFWFTMX-QHCPKHFHSA-N 438.532 1.976 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1722370486 LQQPZCGONHEEHE-LJQANCHMSA-N 438.532 1.464 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722381159 IVHRHVLBBPZKLL-QGZVFWFLSA-N 429.521 1.886 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)N(C)C)CC1 1722575984 FQOKKVOIZBEBDM-UHFFFAOYSA-N 446.577 1.686 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722618712 VAAHFLQLEOKHFR-MAUKXSAKSA-N 428.580 1.161 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCc2c(ccnc2O)C1 1722700335 FQLXACQKMUCJRT-UHFFFAOYSA-N 425.518 1.599 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cncn2)C1 1722726004 WRDMEDQCDMFIBK-MRXNPFEDSA-N 430.538 1.317 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCSCCCO 1723941750 IOPKCPWGKSGRSU-WMLDXEAASA-N 430.600 1.134 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1728362252 ZCFGWUDKEWQKMK-QGZVFWFLSA-N 440.508 1.326 30 10 IDEE CCN1C[C@H](C)N(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1728554173 GOKZNOHFAFIALI-ICZFLMCXSA-N 427.553 1.676 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1OC 1730045852 JCUCOHMXLFZDQT-HIFRSBDPSA-N 441.492 1.689 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1730891548 RCWZIFDWIFHMEX-WOJBJXKFSA-N 427.505 1.864 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)C1 1731179983 HEZIJRKITGFVTN-HXUWFJFHSA-N 441.492 1.761 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740649388 SRXUDCQRAFLKOP-KRWDZBQOSA-N 429.546 1.603 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(O)CCN(C(C)C)CC2)n1 1740687492 GUXSIDDYTBKXOB-UHFFFAOYSA-N 429.569 1.305 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1740749895 GXQDZJNFCROUHD-SJORKVTESA-N 432.525 1.384 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1741013129 QVMRYINRIJTVPS-UHFFFAOYSA-N 425.493 1.361 30 10 IDEE CC(C)(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1741151996 GBAMUVMHXLQDFE-QGZVFWFLSA-N 430.484 1.887 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741487100 RBEIGZCUHFYGQA-UNEBPCJRSA-N 446.552 1.633 30 10 IDEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1741849524 FPWZDAXODXGCFJ-KZNAEPCWSA-N 439.568 1.499 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1748751419 HFQZIIXSBJIIKX-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748815094 NICJWSHCCMIJIV-KRWDZBQOSA-N 433.578 1.431 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748953286 JCVVMHIPDZROBZ-IBGZPJMESA-N 445.589 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749135356 DXNKWPDYFSVNIS-FCEWJHQRSA-N 437.566 1.005 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cscn2)CC1 1749235986 YAVRWCUJGCXWDL-UHFFFAOYSA-N 445.593 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749657914 FUXAMSBFHDHNGS-NVXWUHKLSA-N 444.536 1.516 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(C(C)C)CC1 1749736494 KHEPTUQTGVKDHB-UHFFFAOYSA-N 432.594 1.785 30 10 IDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749761692 DOZKKZIFSHQFJQ-INIZCTEOSA-N 436.607 1.653 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@@H](C)C2)CC1 1749884046 GBHVYSNSOHLPJR-KRWDZBQOSA-N 439.589 1.923 30 10 IDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCN(CCN(C)C)CC1 1750169277 XEKJKFSQWYHOKV-UHFFFAOYSA-N 427.553 2.000 30 10 IDEE CC(C)CN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1750840128 ZYTVBUGRVWQKSK-VZCXRCSSSA-N 441.536 1.377 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C1 1752248757 CUEPOHMOSJBCNP-MRXNPFEDSA-N 432.550 1.903 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1752313375 ZFOFUHJEUDMGGM-AYAKEVCGSA-N 433.472 1.568 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1760218751 MFTCZAYLXWSTFR-SFHVURJKSA-N 427.530 1.223 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)cc(OC)c2)CC1 1760254082 NHCAZLOMYFKXEZ-KRWDZBQOSA-N 446.577 1.009 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2sc(C)nc2C)CC1 1760257161 QFKQJNGRJAAUNC-OAQYLSRUSA-N 430.578 1.807 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(N)=O)cc2)CC1 1760273359 QFCZLAWFALNGJT-LJQANCHMSA-N 436.516 1.243 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1760421829 BOXLAVQNBHOCIT-MRXNPFEDSA-N 436.586 1.305 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760681131 UXPICRKTZARZSG-IBGZPJMESA-N 438.536 1.292 30 10 IDEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1763617865 IKJJOTJPGSDZAW-SNAWJCMRSA-N 437.548 1.668 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1766266808 HYRXFTWGSSVNSV-LJQANCHMSA-N 441.511 1.993 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1766724560 CTOATJYNYIXGJP-DNVCBOLYSA-N 444.561 1.760 30 10 IDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1767176093 SJQYZUOSSZJAIJ-OAHLLOKOSA-N 441.446 1.588 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1768517637 JWVCCQPDOCVNBU-HXUWFJFHSA-N 435.536 1.828 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C 1771136418 QGQIRTYTODDFJL-JRGCBEDISA-N 440.548 1.514 30 10 IDEE COc1ccccc1N1C[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1851516770 DKZNYEOWSQKDPL-IBGZPJMESA-N 449.511 1.680 30 10 IDEE CN1CCN(C(=O)CCC(=O)Nc2ccc(C#N)cc2I)CC1 1852945332 RYMHJSHIIUAYIK-UHFFFAOYSA-N 426.258 1.656 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(=NOCCN1CCN(C)CC1)C1CC1 1853501592 NYQZJLUAQJSRLK-UHFFFAOYSA-N 438.550 1.047 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1CCC#N 1855911567 FNVTYEMAHYRYKM-QGZVFWFLSA-N 432.546 1.450 30 10 IDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2OC)cc1 1858964765 FPLUCPUBADRKNK-UHFFFAOYSA-N 434.470 1.991 30 10 IDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869927995 KVRANYVAUZIINH-LJQANCHMSA-N 426.542 1.501 30 10 IDEE C=CCn1cc(OCCCOc2ccc(OC)cc2)c(=O)cc1CN(CCO)CCO 1870595011 CIKWBKVDDWTDDN-UHFFFAOYSA-N 432.517 1.677 30 10 IDEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871536137 FJKMWRZBKDMOQK-UHFFFAOYSA-N 446.552 1.751 30 10 IDEE C=CCOc1ccccc1OCc1nnc2sc(CCNC(=O)COCCOC)nn12 1874787426 NKIGXSBRVHEQGO-UHFFFAOYSA-N 447.517 1.651 30 10 IDEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1890639796 RKGWNQNGHTUBDD-IBGZPJMESA-N 434.518 1.353 30 10 IDEE CC(C)(C#CC(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1993920947 JZJMGXKPZKPPPN-HUUCEWRRSA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)NC1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1 2006229497 APNFVRLCUZCJJW-UHFFFAOYSA-N 426.333 1.069 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCO 2130103020 COTVLKPOOMBBFV-CYBMUJFWSA-N 433.511 1.154 30 10 IDEE C#CCCS(=O)(=O)Nc1cc(C)c(S(N)(=O)=O)cc1I 2240655067 YIMAUCBYQGPQKZ-UHFFFAOYSA-N 428.273 1.012 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626284 DIAJPUKRAASPSP-YEJXKQKISA-N 432.330 1.838 30 10 IDEE C[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255639553 GDPATLBRVCSJIU-ZYHUDNBSSA-N 447.288 1.971 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255654187 SWZYWGPZTNZSBS-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255807077 OLAZOGDKJUKXBK-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cn1ncc(C(=O)NCCc2nccn2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267511833 IVAABIPKMHFCAN-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE CO[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267592493 MZLXUCLVCJNXCS-HOTGVXAUSA-N 447.341 1.745 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 2267598880 HDIVGMYGGOFPCM-UHFFFAOYSA-N 449.357 1.472 30 10 IDEE COC[C@@](C)(CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312544 XVPJGZWWJXMXIH-OAHLLOKOSA-N 425.765 1.376 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)cc2F)OC1(C)C 2282326573 VAIVOPZMVKDTCA-MRXNPFEDSA-N 427.303 1.651 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2315535871 YQYKSTQXBPCVTC-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE COc1cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc([N+](=O)[O-])c1OC(C)C 2323026649 NMOCRFQUVFSQTC-UHFFFAOYSA-N 437.434 1.530 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334257951 YZRZDPFEDNFGRF-IIAWOOMASA-N 446.357 1.705 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)n1C 2337398280 NMHQKUYCSIOOJV-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE CCOc1c(Br)cc(/C=N/NC(=S)NCCN2CCOCC2)cc1OC 57616500 GBOFJQWJSXQYPD-UDWIEESQSA-N 445.383 1.987 30 10 IDEE C=CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)s1 59310927 SJMQDECNLBNNDX-PJQLUOCWSA-N 436.552 1.845 30 10 IDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 64139719 JUXRPSOXBRYKBN-OAHLLOKOSA-N 446.773 1.762 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc(F)cc1 72444368 LAHOHBVVWIATSD-GJZGRUSLSA-N 425.420 1.476 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2nnc3ccccc3c2=O)cc1 109894129 ORIZDGMKZAMEBA-GOSISDBHSA-N 434.481 1.593 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCO1 409512515 JTVFGXDCOVBYDJ-HZPDHXFCSA-N 436.538 1.187 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCCC23CCOCC3)CC1 410083856 BNQFZNRJNCKRLZ-IBGZPJMESA-N 432.546 1.923 30 10 IDEE COc1cnccc1[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 446092187 UNVISSUVHNOFOQ-OAHLLOKOSA-N 429.502 1.739 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(CN4CCOCC4)cc3)C2=O)cc1 487091713 GHYOJHDVMHNNAK-HSZRJFAPSA-N 447.539 1.991 30 10 IDEE N#C[C@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccc(Br)cc1 499423228 RMCCPQPWGWCNAO-HNNXBMFYSA-N 441.293 1.879 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CSC[C@H]3C(=O)N3CCCC3)C2=O)cc1 504947071 CBBRNBAKFPQHDK-IRXDYDNUSA-N 441.513 1.287 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 505945860 AFXAJVQMFFCVRN-QRQCRPRQSA-N 431.489 1.689 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cc1 532755841 VYGPGPKYRAHTLI-SFHVURJKSA-N 438.549 1.965 30 10 IDEE N#Cc1cccc(-n2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)c1 539513381 DHZGZGRXTHBSFW-UHFFFAOYSA-N 446.492 1.762 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H]2CCCO2)n1 549501969 UISRUBRNHUQDFU-FQEVSTJZSA-N 447.547 1.912 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccc(N4CCOCC4)c3)C2=O)cc1 559006807 KSXXNTLJSWAUOE-OAQYLSRUSA-N 447.495 1.251 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC2)CC1 569749002 DKKOQHKELSJSBY-GOSISDBHSA-N 430.516 1.894 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 577456060 DOLCPSTUQSJHEM-SFHVURJKSA-N 440.529 1.248 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCOC2)CC1 578086056 FYRFYIICVDKAIZ-KRWDZBQOSA-N 428.512 1.545 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CS(=O)(=O)NC(C)(C)C 731729143 XXEHAPMOFZSHTD-CQSZACIVSA-N 425.507 1.591 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OCc1ccncc1 732708495 QOPQQFHRUZWBRA-LJQANCHMSA-N 435.484 1.806 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 734292750 UJWMJLKADDGBLM-UHFFFAOYSA-N 449.510 1.006 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)OCO4)c2=O)cn1 735295354 UGXIKGFPNBEAEQ-UHFFFAOYSA-N 448.504 1.716 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(COc2ccccc2)c1 737304726 AYZFJZXJVBROBQ-MRCUWXFGSA-N 434.452 1.847 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 746254299 QNJZLAFVSUJGMB-LSDHQDQOSA-N 425.489 1.367 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 746254300 QNJZLAFVSUJGMB-XDOYNYLZSA-N 425.489 1.367 30 10 IDEE COc1ccc(CNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1C#N 746924233 VOUMKSVFYZDNPH-UHFFFAOYSA-N 442.541 1.644 30 10 IDEE C[C@@H](OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)Nc1ccccc1C#N 755187996 YJJDAHKWFTXPJA-PBHICJAKSA-N 444.488 1.944 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)c1 757210703 ZBLNFZFFEWNFIP-ANNUQZOISA-N 443.504 1.356 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1c[nH]cc(Br)c1=O 761026454 NZEAZGQEUVBFIR-UHFFFAOYSA-N 425.264 1.205 30 10 IDEE O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 761233231 VDHJPCOZBFUNFS-UHFFFAOYSA-N 426.450 1.356 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1F 763775664 ATAVLEJJJHITCK-RDJZCZTQSA-N 438.477 1.848 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 764651431 ZPDOXEBENJSONA-CYBMUJFWSA-N 446.533 1.227 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 768514954 ZCPPRKURDPSZRC-QUCCMNQESA-N 445.928 1.953 30 10 IDEE C[C@@](C#N)(NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)C1CC1 768665808 QMGZVQWWVFKFHH-AWEZNQCLSA-N 442.316 1.878 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1)c1cc[nH]n1 770833275 LVUBWCIFAYDIER-QGZVFWFLSA-N 443.460 1.332 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783958153 QPCJUCSHPZGICV-UHFFFAOYSA-N 449.561 1.352 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 789167114 LULRKHYJFGMQJN-OAQYLSRUSA-N 434.500 1.742 30 10 IDEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 795145711 VPTWRTOTJZYVEZ-UHFFFAOYSA-N 447.288 1.896 30 10 IDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)c2ccnc(C#N)c2)CC1 795967132 TZPPORWWFJPRHU-UHFFFAOYSA-N 435.484 1.455 30 10 IDEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812275209 GFFYKMZDZRJDMY-UHFFFAOYSA-N 444.463 1.995 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)[C@@H]1CCNC(=O)CC1)CCCC2 815421160 HPHSJSIRWHOGMT-JKSUJKDBSA-N 442.516 1.816 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837285159 LJCRWXOUTJWHJC-UHFFFAOYSA-N 446.536 1.238 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2=O)cc1Cl 1135842516 SWUBWYIQBDYKHJ-CYBMUJFWSA-N 429.864 1.850 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cc(Br)cn3ncnc23)C1 1138108090 IJXFETWXWZJVND-GWCFXTLKSA-N 435.282 1.981 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)cc2)c1N 1140678525 DVUVUCWZVZRWEI-UKRRQHHQSA-N 432.406 1.809 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cc(F)ncn3)CC2)s1 1141254907 KMULVCCSYJNCLF-UHFFFAOYSA-N 425.511 1.033 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1cnn(C)c1 1160477778 QBMBYJSVZIHEIL-VAMGGRTRSA-N 432.440 1.608 30 10 IDEE N#CCc1cccc2c1CCN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)C2 1175063425 YWTNYBJIDGFLEV-UHFFFAOYSA-N 438.553 1.644 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)C[C@H]1CS(=O)(=O)C2 1176432807 QZNVSGXQZKDDOL-LIRRHRJNSA-N 434.518 1.682 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1Cc2cnccc2NC1=O 1176659474 TUAAIEAGBHFNAB-DLBZAZTESA-N 441.513 1.214 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)c1 1188760086 CREVZIYGLMCEHM-HXUWFJFHSA-N 445.483 1.576 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1211664837 YPMMBBAETAUWIR-ZWKOTPCHSA-N 440.518 1.451 30 10 IDEE C#CCN(C(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)C1CCN(C)CC1 1221186683 GXKDISVHYAQQLJ-NRFANRHFSA-N 442.560 1.600 30 10 IDEE N#Cc1cn(CCNC(=O)NCCc2c(C(F)(F)F)[nH]c3ccccc23)c(=O)nc1O 1234383230 JBCFBQVXKOQOOO-UHFFFAOYSA-N 434.378 1.863 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286341869 JJZZSDLYVBJMPI-MJGOQNOKSA-N 431.562 1.750 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286389308 HWDITHVHLSDCSF-IBGZPJMESA-N 436.541 1.913 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1286397150 MDCLPPFXQOBSLH-DOTOQJQBSA-N 434.591 1.326 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1286403384 JERABYJTPQAAGJ-UHFFFAOYSA-N 442.541 1.860 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1286466434 YSZIFRYKWVLYRP-FQEVSTJZSA-N 438.532 1.200 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286627278 BYUUUDKKGJNBDA-JLSDUUJJSA-N 449.987 1.361 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1286718301 FKBJKHXEFGNDSM-OAHLLOKOSA-N 447.380 1.941 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C)C1CC1 1286737786 OLXQPDMZASZMIB-GOSISDBHSA-N 432.550 1.518 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(=O)CC)C1 1286784932 YVPOBJUURMIMIJ-INIZCTEOSA-N 426.521 1.751 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)(F)F)CC1 1286790162 OGQAFYNETXPWPQ-UHFFFAOYSA-N 428.484 1.917 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H](C)C2)C1 1286811039 ZBFDJXQCRHVKNK-IPMKNSEASA-N 437.610 1.693 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293114277 XZZGXRYBRFPUIU-ZZEZOPTASA-N 440.483 1.228 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)[C@H](C#N)C1 1294435951 KQVMYESKLAOKKQ-VCBZYWHSSA-N 443.422 1.769 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1296185056 OCQSAUAACBXTHJ-IBGZPJMESA-N 437.596 1.453 30 10 IDEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300421723 PJZBRENXUOXHLL-SFHVURJKSA-N 436.516 1.034 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300503599 FAAACUCIFFZEFX-RTBURBONSA-N 446.577 1.193 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1300692463 FZNZYSJELRXHSO-HSZRJFAPSA-N 447.587 1.929 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)OC)CC1 1301126312 SRCFTEPRTWLGHT-IAGOWNOFSA-N 427.571 1.438 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)Cc1ccccc1 1301296889 KXIZTWANXJTXEV-IBGZPJMESA-N 448.593 1.365 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301448237 GDMUOCFLBKMETB-IVZQSRNASA-N 442.520 1.495 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnccn2)CC1 1301588963 MXNPKRYCDKARLK-KRWDZBQOSA-N 447.565 1.237 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1301613406 XSOWEACHDGGIDK-MRXNPFEDSA-N 440.595 1.270 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2c(sc(N)c2C#N)C1 1308131480 DPLXBPNXHBEVMH-LLVKDONJSA-N 431.543 1.185 30 10 IDEE C=CCc1cc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(OC)c1OC 1311748285 NRFFVSARWXTTLK-UHFFFAOYSA-N 425.445 1.333 30 10 IDEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ncc(I)cn3)CC2)C1 1312902659 YAPHKFLROAYNDJ-WCQYABFASA-N 426.262 1.605 30 10 IDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1314844335 GSKZKFBUYNSEJP-UHFFFAOYSA-N 432.550 1.451 30 10 IDEE N#CCC1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)CC1 1316537458 CDQLYUDCHAQZQZ-UHFFFAOYSA-N 435.435 1.517 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1358960907 OAKLDPUZCAPCBH-LPHOPBHVSA-N 434.591 1.591 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)CC(F)(F)F 1358984368 RUJGJQWFLSVOQN-UHFFFAOYSA-N 433.438 1.882 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1358992621 QUVAXDJJXGIRJO-LJQANCHMSA-N 428.500 1.630 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1359032097 BCPVCFRMEGJVOS-SFHVURJKSA-N 448.518 1.958 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359133622 WKBPFJHEEJZKNE-HXUWFJFHSA-N 446.596 1.509 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359215524 DOFJWILMLOVMGI-BZSNNMDCSA-N 439.582 1.725 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C 1359259286 QYGAQWBLNHVVOW-SFGWALBWSA-N 446.573 1.913 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1359306548 KDRIRCOMMKMDCB-QGZVFWFLSA-N 433.534 1.472 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)CC1 1455116616 ZONAPSNJXVYNNO-SFHVURJKSA-N 427.526 1.733 30 10 IDEE C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1456215087 LSDJWOSRMCCWRR-YHAQOWFVSA-N 446.348 1.026 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1463855978 XOIQJBUSCGYDIS-INIZCTEOSA-N 428.532 1.013 30 10 IDEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1469278721 CQEZOWXCAIMNGS-OAHLLOKOSA-N 445.520 1.849 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)N(CC)CC)CC1 1470355036 AQALEKFZKWIREO-NRFANRHFSA-N 449.621 1.427 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)C1 1471335119 CNJZFGHJRRMBPR-MOPGFXCFSA-N 449.596 1.679 30 10 IDEE C#CCCCCn1c(COCC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507573342 FGLZZRCYHBJPEX-UHFFFAOYSA-N 444.580 1.558 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507632045 INNLIOQRXWBOIT-STQMWFEESA-N 433.456 1.198 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1507632286 YLJBCUVREXLOKG-HNNXBMFYSA-N 435.937 1.910 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507646767 SRRXQKQIJUMZEA-UHFFFAOYSA-N 433.463 1.911 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507729210 ZFFVYEAHLSZHKC-LJQANCHMSA-N 434.610 1.048 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507731164 CCODDNCKXQQEPU-FQEVSTJZSA-N 430.597 1.163 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NC(C)C)CC1 1507736123 DWQDWIDCMYCHTN-UHFFFAOYSA-N 425.537 1.164 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1507739716 UUBPANJBWIJYFJ-VAMGGRTRSA-N 429.565 1.809 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@@H]2CCCO2)nnc1[C@]1(OC(C)C)CCOC1 1508096605 BDOUUHKOSAMAQS-FGSXEWAUSA-N 433.553 1.769 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@@H]2C)C1 1508111457 YIXFTVFWJYXOBG-ZWKOTPCHSA-N 441.536 1.427 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1508661705 IKJINZCZXLOHPA-LSDHHAIUSA-N 433.513 1.263 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513832886 KTTUIWZDMYTBRW-RUHXAJNHSA-N 430.509 1.140 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccn(CC)c1=O 1513973462 CIJIWMDRRJMRHC-IBGZPJMESA-N 431.500 1.761 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)nn1 1531381001 OSSYKWMBZCVSQE-GXTWGEPZSA-N 445.442 1.848 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC[S@](=O)CC(F)(F)F)C2=O)cc1 1532250413 CXGJIPWNEOAQAX-YBKRRLQSSA-N 430.408 1.190 30 10 IDEE N#C[C@]12CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)C[C@H]1CS(=O)(=O)C2 1538765262 INRQJYVXALMRKK-APPDUMDISA-N 437.271 1.566 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1 1538983163 OLERSKQXLBUVAL-OAHLLOKOSA-N 427.534 1.568 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539230203 CYTKMSZYUCTNPQ-ZWKOTPCHSA-N 444.561 1.654 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@H]1C 1539242234 QHWFFITWGOSHLS-IFXJQAMLSA-N 432.322 1.659 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCOC2)n1 1539424578 SYGPYSYNGHISAT-HKUYNNGSSA-N 441.536 1.139 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1539512960 HFOGITFQNWFSEA-JKSUJKDBSA-N 448.593 1.947 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)C1 1539532652 BWZHXEMZDMLMPO-HKUYNNGSSA-N 435.594 1.673 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Cc4cc(F)ccc4NC3=O)CC2)cc1 1540648029 RZHXVLBDMDJEBQ-SFHVURJKSA-N 442.472 1.341 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1541118966 JKPUQXVTVGQNSS-BBRMVZONSA-N 429.456 1.580 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)CC)CCOC1 1547888004 DMSCPKHMTRVGNM-LJQANCHMSA-N 425.555 1.495 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1554130711 QTQSVPUAJYRRAX-UHFFFAOYSA-N 426.521 1.995 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O 1554162600 DGCASHJAPOMIGG-UHFFFAOYSA-N 437.529 1.884 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)ccc2OCC(F)(F)C(F)F)CC1 1556504187 NWLHVJJMEXXPMM-UHFFFAOYSA-N 445.413 1.482 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C 1589053442 NUEIUKJZCJGIAK-UHFFFAOYSA-N 432.550 1.581 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1593696268 MOLGBMCQAPIERZ-MAUKXSAKSA-N 429.612 1.814 30 10 IDEE C=C1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594077044 HIGBJGZQWNGLGM-UHFFFAOYSA-N 429.506 1.604 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595760955 VIJQJLZHWWKNTR-ROUUACIJSA-N 425.599 1.693 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1613898970 BAMUCLSZOHZWLD-KGLIPLIRSA-N 435.554 1.129 30 10 IDEE C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@H]21 1616175042 LEUXAFIXWHVGAU-YXMSTPNBSA-N 429.464 1.523 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)C1=O 1618460191 ZCPJNIHBDPZJJL-ORAYPTAESA-N 445.321 1.915 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1619322162 ILGMMSVOURAOKD-OALUTQOASA-N 429.477 1.400 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N(C)C 1620017824 VOOPVQNOYGQIIM-MSOLQXFVSA-N 442.568 1.545 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC1(C(N)=O)CCOCC1 1620096940 MSAKWRCBVQMRTL-IRXDYDNUSA-N 446.552 1.414 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1630737289 FKNGBIHNUVCSDM-LIRRHRJNSA-N 448.570 1.751 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@]34C[C@H](NC(=O)OC(C)(C)C)C[C@H]3C4)CC2)c1C#N 1633056013 PEHHLISFRKFKQM-WJONJSRFSA-N 428.537 1.942 30 10 IDEE C=CCOC[C@@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1)C(=O)OC 1634058910 SGIDXCUJTJWMDL-OAHLLOKOSA-N 433.486 1.812 30 10 IDEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccc(C(=O)NO)cc1 1635200761 NQEZUYOWHNCAME-RHSMWYFYSA-N 434.537 1.648 30 10 IDEE C[C@H](CC(=O)NCC1(C)CCC2(CC1)OCCO2)/N=C1/NS(=O)(=O)c2ccccc21 1636622726 STRODJRTFJEZBO-OAHLLOKOSA-N 435.546 1.943 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Nc2cccc(OC)c2)CC1 1643372503 OJCVHFRXQYYJKV-UHFFFAOYSA-N 428.514 1.664 30 10 IDEE C#CCOCCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1648264141 FXXFGKLDONWGOJ-HNNXBMFYSA-N 443.363 1.958 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 1659740741 FBBOCJFVXCVSFF-AABGKKOBSA-N 434.537 1.186 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)C1 1672153445 CESOSQYPVNOVOG-UHFFFAOYSA-N 438.525 1.764 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c(C#N)cn1CC 1678537104 HFUPCOJCKSSNOC-HNNXBMFYSA-N 437.522 1.588 30 10 IDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1680492282 DPUVBQCUDHRBRH-OXJNMPFZSA-N 430.530 1.990 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1689981833 CEGUWWZWHOMVDS-FCHUYYIVSA-N 441.601 1.778 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1689981873 CQNZSEQGNJJAIE-KRWDZBQOSA-N 445.936 1.517 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1690109325 NONBAZFKEGQFJR-VGSWGCGISA-N 428.537 1.568 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc(C(F)(F)F)ccn2)CC1 1690110597 SIFRRCRHXJDARN-UHFFFAOYSA-N 449.481 1.828 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690292787 SDUJIYGEZSVPOQ-BGYRXZFFSA-N 429.613 1.971 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690328896 PPNZVKRXHKRFIA-UGSOOPFHSA-N 443.932 1.878 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690496683 VMBYEUFBKITJHJ-JOCHJYFZSA-N 433.553 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690722932 BBVLHJKYFWTMQI-JKSUJKDBSA-N 433.490 1.363 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1691555051 CKRQCNBRNYHJMF-JOCHJYFZSA-N 433.520 1.735 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1692503179 ZHABNXNKEMMXBT-HSZRJFAPSA-N 435.532 1.935 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705567237 UYMZNEPQKVNKGA-RBUKOAKNSA-N 437.610 1.528 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705576330 IVRPSFDOEKNLBD-FQEVSTJZSA-N 448.932 1.230 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1705583221 SNJZXRKFPRHSHN-WZONZLPQSA-N 443.548 1.820 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1705588680 IIFBIINHPYOJHR-YRISNDGFSA-N 433.578 1.556 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1705607303 YEXOMJAKNZVNKE-KRWDZBQOSA-N 431.562 1.529 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705623716 BFPSNRVOTNDNED-OAQYLSRUSA-N 432.546 1.143 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)[C@@H](C)CCC)CC1 1705648850 AVWMXPZRHUKBKQ-KRWDZBQOSA-N 439.564 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCCO[C@H](C)C2)CC1 1705650233 NKODWLKULXEQAI-LJQANCHMSA-N 442.608 1.697 30 10 IDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1705652323 VTKAASDSWBCFLL-UHFFFAOYSA-N 432.937 1.164 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cn3ccc(C)cc3n2)CC1 1705652548 DDWSSJAJVOVNJK-UHFFFAOYSA-N 435.532 1.785 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC1CC1 1705677013 XTPDBONCBYWQQR-OAQYLSRUSA-N 426.546 1.788 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1705899205 KZXMOAYFLBFXLW-UHFFFAOYSA-N 434.504 1.113 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705932563 GWEJMBYYEHFVEZ-INIZCTEOSA-N 438.575 1.478 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1706072590 FOQBVBWVFRTYOS-VBKZILBWSA-N 431.566 1.995 30 10 IDEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1708232996 LYAGUISEPFBTSX-GFUWFAGDSA-N 427.509 1.019 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCC(C#N)CC1 1710972176 DIKCCYSNSRGEPN-IBGZPJMESA-N 437.552 1.418 30 10 IDEE CO[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1711516542 ITFSRJQGAIJHPO-RDJZCZTQSA-N 428.541 1.447 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CCCO 1722284055 YTLAVOYHOFTTKU-HKUYNNGSSA-N 445.589 1.653 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722324235 NPUUKWGJVYHLEB-DOTOQJQBSA-N 436.582 1.044 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCOC[C@@H]1OC 1722342640 UDKDHMNHNXDIMX-AEFFLSMTSA-N 431.924 1.982 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722359541 OIVLZWMQQJCLFV-WMZOPIPTSA-N 447.561 1.194 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)OC)CC1 1722431836 OSOJUFZBIKJEHF-MRXNPFEDSA-N 430.940 1.652 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)NCC(F)F)CC1 1722445704 WNYUWMYKNPECPJ-UHFFFAOYSA-N 430.459 1.292 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 1722555535 LQTVVTNEXAKQCN-CVEARBPZSA-N 444.989 1.038 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1722679999 SGISMLWXFQZSHS-UHFFFAOYSA-N 438.488 1.792 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](SC)C1 1722727988 SGFXEEAQEAJVQT-GJZGRUSLSA-N 427.596 1.552 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1728670946 XAGDJJRIWBKASB-PKOBYXMFSA-N 441.511 1.517 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729748172 QTUIJBBDGPBVNC-FGTMMUONSA-N 430.534 1.422 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1(C)C 1730384610 AIEIMSVXCRAPDX-GOSISDBHSA-N 434.504 1.831 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1730997500 FTRCQDOBZKFIJF-RBUKOAKNSA-N 445.545 1.636 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)c1 1731181110 NUSOIOYWZDPEMF-NHCUHLMSSA-N 435.532 1.782 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(=O)NC(C)C)c1 1740564120 BBCVAUCRNFYLLZ-UHFFFAOYSA-N 445.527 1.845 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740576437 XGKZEQYKOIOKTE-RTBURBONSA-N 435.594 1.980 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1740631994 FQSZZUNWNZYWHY-QHCPKHFHSA-N 431.500 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCCC2)CC1 1740702908 YWOPCVHPXDRHNU-QGZVFWFLSA-N 433.553 1.273 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740744934 IIRFFBWONQYYJA-QWHCGFSZSA-N 439.314 1.163 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740847769 STBCEEFLCXVCOR-GOSISDBHSA-N 443.596 1.576 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccn2)CC1 1740886925 XMUKQAFTTKWGDS-UHFFFAOYSA-N 426.525 1.110 30 10 IDEE C=CCn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1740950316 DRPVZAGYCUJOKA-OAHLLOKOSA-N 439.582 1.935 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1741003607 YHOYPTZGGJOUGH-GOSISDBHSA-N 434.610 1.840 30 10 IDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1746668377 DRIZSHGRTOFPPY-FXAWDEMLSA-N 437.566 1.495 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1748639316 FOLGFQFRWWSUEL-HUUCEWRRSA-N 432.550 1.547 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1748672520 UTXMUSSTKVYRAG-CABCVRRESA-N 439.582 1.941 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)O)c1 1748692092 QWHPJYARERYEHW-QHCPKHFHSA-N 441.532 1.757 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1748829655 FXNYFKGNFYVSCG-QFIPXVFZSA-N 425.489 1.464 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)CC 1748944714 CEJHCDJWEQITLE-KRWDZBQOSA-N 435.525 1.500 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCC[C@H]2CO)CC1 1748990280 GNEMOHUSWJWMPO-SFTDATJTSA-N 430.597 1.512 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CC2)CC1 1749014032 CEROPIVPTOQUTF-KRWDZBQOSA-N 433.578 1.336 30 10 IDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(=O)NC 1749023341 RRKOJSAPYYRCBO-UHFFFAOYSA-N 425.356 1.974 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749241311 IZGPRURLJGZUEB-HLAWJBBLSA-N 446.596 1.711 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1749457630 NQYCBKQLUUZWCK-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749677795 LCACQIJFQBHIDG-GOSISDBHSA-N 442.568 1.183 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1749730712 NVOOXRDELJMPDI-AWEZNQCLSA-N 444.517 1.420 30 10 IDEE COCCOCCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1750097923 WPIASDJPOCPHOP-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1751158557 AZTLFCROLJZJLK-GOSISDBHSA-N 429.569 1.612 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC(F)(F)F 1751223902 RVKFXUXAEIJCME-ZWNOBZJWSA-N 428.412 1.257 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCC(F)F)n1 1751852778 OOMGCSFLHRALRM-KRWDZBQOSA-N 434.495 1.598 30 10 IDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751933918 HIOAPPUTTLKJOQ-DQRAZIAOSA-N 446.515 1.307 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1occc1C 1760097508 GFFIHEROOOTIJT-GJZGRUSLSA-N 436.538 1.068 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1c(C)cccc1C 1760205672 HGQYJLCTGDQVQE-IBGZPJMESA-N 426.542 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1760223926 QRWLDMOEDNWRQF-UHFFFAOYSA-N 426.484 1.778 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2OC)CC1 1760251625 DYRAECKRQMQWGB-UHFFFAOYSA-N 430.940 1.882 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760280656 LOTZDDAFTIVYFA-ZDUSSCGKSA-N 429.468 1.943 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2(=O)=O)CC1 1760397189 OKAHJPWGEQKGGA-GOEBONIOSA-N 445.611 1.258 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1760464277 DMZPCOXFGBWNMP-WMZOPIPTSA-N 433.534 1.237 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760543576 UGOYPSJTJICKAO-YUMLTWSLSA-N 428.493 1.090 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760555420 FQWHWXHXWXHRBE-FUHIMQAGSA-N 440.566 1.505 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)CC1 1761546072 NAWZGIFFADHLHR-UHFFFAOYSA-N 429.569 1.757 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1768140460 VYUVQHZWVAXKJT-JOCHJYFZSA-N 437.504 1.668 30 10 IDEE COCCN1C[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)CC1=O 1771124347 HPFWAYFFDMJOOL-CVEARBPZSA-N 440.508 1.159 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1771172448 QEAKYCRUGLBWIV-HLIPFELVSA-N 444.536 1.672 30 10 IDEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCN(c4ncccc4C#N)CC3)cnc21 1849750685 PUQCOZCYQVYVHD-UHFFFAOYSA-N 434.504 1.354 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1 1850799636 YNBQLDMINSBEDT-UHFFFAOYSA-N 426.542 1.182 30 10 IDEE C[C@@H]1CC(=NC(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)NN1c1ccc(Cl)cn1 1851177398 MVGCFCDGWPIGEV-CZUORRHYSA-N 435.937 1.924 30 10 IDEE COc1ccc(CN2C[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851529311 WKXYWDKURYNRQO-ZDUSSCGKSA-N 447.435 1.914 30 10 IDEE Cc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)cnc(N(C)C)c1Br 1851797872 KRNXDZWLRBFGMC-UHFFFAOYSA-N 430.310 1.843 30 10 IDEE C=CCN(C(=O)CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)[C@H]1CCN(C)C1=O 1852009114 PYTOTUQXDIWSMW-IBGZPJMESA-N 437.475 1.938 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CC[C@@H](Sc3nnnn3C)C2)c2ccccc21 1852198596 WJXWNLOBHHEMFN-OAHLLOKOSA-N 427.534 1.991 30 10 IDEE Cc1ccc(C)c(OCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)c1 1854488602 WZZQFTNJFLNPIA-UHFFFAOYSA-N 433.530 1.909 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162283 NDEFNYJPMODMKH-MJGOQNOKSA-N 443.544 1.800 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2C 1865227164 DBJUUKRLQLUQGC-GOSISDBHSA-N 425.489 1.322 30 10 IDEE O=C(NCCCCCO)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933606 JWDMQHLCZZZLHQ-GOSISDBHSA-N 433.505 1.754 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2184059555 NFRRMTNIUNIEQZ-ZNMIVQPWSA-N 440.294 1.990 30 10 IDEE CC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255695659 ISNDRHWRQRHKHN-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256059390 KESHIEIIIWKLJS-ZIAGYGMSSA-N 432.330 1.904 30 10 IDEE Cn1cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267502666 RDKBKGCRMNCVOS-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267509785 APYBEAQXWHSPTO-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 2267606964 GEEJVGUFBMEPIM-UHFFFAOYSA-N 447.345 1.197 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](O)[C@@H](F)C3)cc2Cl)OC1(C)C 2282307255 ZHLBYEZEQKMCBG-QWRGUYRKSA-N 425.740 1.794 30 10 IDEE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N=Cc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2294853631 VLLQYXRHVIIXOF-QWRGUYRKSA-N 428.681 1.666 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1CC2=NO 2381957613 KMZPNISRSSUQQY-WBWSZLQSSA-N 437.493 1.949 30 10 IDEE COC(=O)/C=C1/SC(/C(=N/Nc2ccccc2OC)C(=O)N2CCOCC2)=NC1=O 8711765 JISXUCNBMKUEFU-CEFCJMCMSA-N 432.458 1.051 30 10 IDEE C=CCNC(=O)/C(C#N)=c1/s/c(=C/c2ccccc2OC(F)F)c(=O)n1CCCOC 105754165 HKPGCUNFABGUBF-WLQOOAAVSA-N 449.479 1.353 30 10 IDEE C#CCN(CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)[C@H]1CCS(=O)(=O)C1 251368171 WQVNZGYRLOWJBY-AVRDEDQJSA-N 434.558 1.784 30 10 IDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 251772815 VHOBSUREAXFRET-KGLIPLIRSA-N 438.571 1.720 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 460559168 ZCIHNUDZNHWJBE-CABCVRRESA-N 431.566 1.905 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1C 462446721 RZMSYIFNZILLSO-UHFFFAOYSA-N 427.526 1.431 30 10 IDEE CCOC(=O)C1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 471182042 JMNMACDEJWYFRK-UHFFFAOYSA-N 428.489 1.946 30 10 IDEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c(C)c1C 537301276 DOKAMRVJPLAFHQ-SFHVURJKSA-N 444.561 1.786 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)CCCC1 546071080 LMYWZRFNQFNINS-UHFFFAOYSA-N 430.574 1.997 30 10 IDEE Cc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nnn1-c1ccc2c(c1)OCCO2 546168435 KVVUXWQAUKHWDC-UHFFFAOYSA-N 431.456 1.576 30 10 IDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN2CCOC[C@H]2C1 549669673 KAUJPPDGMYAEBU-QGZVFWFLSA-N 445.593 1.644 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2)CC1 555183728 IERJCDMOXUSMKQ-UHFFFAOYSA-N 439.564 1.083 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c(F)c1 585709460 CIUTWVNKPKXUHI-UHFFFAOYSA-N 426.423 1.874 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1Cc1ccon1 611917473 WTWPPQJOPKRVCW-UHFFFAOYSA-N 443.488 1.276 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)CCc1ccccc1 642710783 OIRQCYJRGDTSGG-LJQANCHMSA-N 449.577 1.229 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670197721 UZDJFHGTBJXKET-MJGOQNOKSA-N 431.585 1.371 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 732439052 DUNYZXPAVDJGKV-FTHOYRMOSA-N 431.468 1.025 30 10 IDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1occc1COc1cccc(C#N)c1 735768282 JQMVUPOMLYNDMW-QGZVFWFLSA-N 447.469 1.732 30 10 IDEE CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 749645155 JGAVPJKLDCNLKB-GOSISDBHSA-N 433.534 1.366 30 10 IDEE CC(=O)N1CCC[C@H](COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 766464126 RHBWSTGAMBRBNC-WMZOPIPTSA-N 435.546 1.942 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3OC)CC(=O)N2C)cc1 766980925 BTVZWPPGKSHJOL-OXQOHEQNSA-N 443.481 1.600 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767880317 HEKSUJGEIQTJNU-UHFFFAOYSA-N 428.514 1.914 30 10 IDEE C[C@H]1CC(=NC(=O)[C@@]2(CC(=O)N=C3C[C@@H](C)ON3)CCN(C(=O)OC(C)(C)C)C2)NO1 777436644 SWUVTXOWPSAYOE-MTJIALIYSA-N 437.497 1.481 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(CCc2ccccn2)c1=O 782703902 FQGCXCVLBYOAPO-UHFFFAOYSA-N 441.314 1.070 30 10 IDEE CC(C)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCS(=O)(=O)C1 796493871 YSYKYCMOWPZCCJ-IRXDYDNUSA-N 442.582 1.103 30 10 IDEE C#CCN=c1nc(N2CCC[C@@H]([C@@H]3CCOC3)C2)[nH]c(N2CCC[C@H]([C@@H]3CCOC3)C2)n1 804565748 RWJFBTVYJPUGDD-PLACYPQZSA-N 440.592 1.844 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N[C@@H]3CCOC3)cc2C1=O 804633904 BOSDEPCOZAMENF-SJORKVTESA-N 441.484 1.978 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)N(Cc2cnn(C)n2)C1=O 807932612 FFSIHFOKZITGLW-ZDUSSCGKSA-N 442.423 1.982 30 10 IDEE N#CCn1cc(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)cn1 811887190 OEVLBNCUCCJIDV-CYMYHSCOSA-N 427.464 1.825 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837286507 XFWJKCFDKWEVQQ-UHFFFAOYSA-N 434.525 1.096 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 916777752 RSXAMEIWQGXEIZ-GOSISDBHSA-N 447.538 1.605 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 1083871220 AQTFUXKGVFIKIP-UHFFFAOYSA-N 444.477 1.553 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)cc1 1084475129 KEFVDXZGNXUTQW-UHFFFAOYSA-N 426.506 1.640 30 10 IDEE CN(C)CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1137205369 YUBMZUOINVJVCC-DLBZAZTESA-N 444.598 1.541 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CCO2)c1 1137993894 DUWIFPHSFUPCTP-MOPGFXCFSA-N 440.887 1.786 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2O)c1 1140273459 WJIVQRFQJFSESC-CABCVRRESA-N 429.498 1.977 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)c1 1151709806 VVMGZENLDZBYKT-UHFFFAOYSA-N 434.514 1.015 30 10 IDEE N#Cc1csc(CNC(=O)CNC(=O)c2ccccc2I)n1 1157492682 HNPUPJGMZVWBKI-UHFFFAOYSA-N 426.239 1.666 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)ccc2c1=O 1161679227 SPEFYDDVVPHGPA-HNNXBMFYSA-N 427.530 1.891 30 10 IDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CNS(=O)(=O)c1cn(C)cn1 1164503964 PAEQBJBTWZHZJP-UHFFFAOYSA-N 426.458 1.705 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)cc2)[nH]1 1171208299 LVDZHSPFBCLWRP-DEOSSOPVSA-N 445.479 1.974 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1 1198251230 LDYRAMKDPGXAAK-DODVFSASSA-N 441.575 1.970 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1248610395 XKYFDZBNVMHMOG-YLVFBTJISA-N 440.319 1.852 30 10 IDEE Cc1nc(CN2CCC(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)oc1C 1251788919 GUQPHWIVDFGRHQ-VXPUYCOJSA-N 430.509 1.329 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286388450 PERRIJPOCCPETI-ROUUACIJSA-N 448.545 1.669 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOC1CCOCC1 1286516455 GTVUPMKFDKZWDB-OXJNMPFZSA-N 439.582 1.466 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286606164 IJHPYMZCYWDPSD-HZPDHXFCSA-N 425.555 1.225 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(C)CCCO2)CC1 1286646027 LFAJSVINHZRKFG-LPHOPBHVSA-N 425.555 1.337 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1286788394 VTFAVYMPMBFNOR-LJQANCHMSA-N 438.532 1.984 30 10 IDEE COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)Cc1ccncc1 1293051858 NRFAKAFURLVEMF-GOSISDBHSA-N 429.498 1.921 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ncccc1C 1297269840 BFYAKVOXUSMULJ-UHFFFAOYSA-N 435.536 1.807 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1300411568 UQGXKDROZRDZLY-GOSISDBHSA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300491254 FSEYYCGCIGBWIB-KRWDZBQOSA-N 438.513 1.441 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1300602678 SQERHUVRCACGGJ-QGZVFWFLSA-N 441.561 1.776 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)CC1 1300706455 MVRWYMYJKDSCAW-QHCPKHFHSA-N 441.601 1.695 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCCCO2)CC1 1300723065 PJVWORZZKSJAQK-MSOLQXFVSA-N 428.537 1.154 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301054794 WTRAHZIITRGVLP-LJQANCHMSA-N 443.527 1.448 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1301499762 FQERYQIOZUKYHV-JKSUJKDBSA-N 433.534 1.725 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(=O)OC)C1 1301515037 PMBLXOXXFADCBE-KRWDZBQOSA-N 427.505 1.775 30 10 IDEE COC(=O)c1c(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc2n1CCC2 1301521390 HCCAIMDNDYZIJW-NSHDSACASA-N 431.474 1.072 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CCOCCCO)cc1 1302989820 UGLIJTKAKISFSM-HXUWFJFHSA-N 438.532 1.807 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1303639937 HHOSKFDWMQIFMQ-JKSUJKDBSA-N 436.582 1.758 30 10 IDEE CC1(C#N)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1303943889 GKTCUEITXRRFGL-JKSUJKDBSA-N 444.561 1.940 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(C(C)(C)C)no2)CCOC1 1314139645 IXJFBPMIIWCRCB-KKSFZXQISA-N 430.509 1.993 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1ccnn1 1314896142 WNGDMIDAKRYCCB-CQSZACIVSA-N 446.313 1.457 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1314993003 YITQQGXCSYXWQT-LZICOFPGSA-N 443.552 1.356 30 10 IDEE COc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)cc1 1315521707 AGKTYPSNBQSHDT-MRXNPFEDSA-N 442.520 1.886 30 10 IDEE COCCOCc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1316248486 HEYKDXBVVILHNV-PGRDOPGGSA-N 442.495 1.882 30 10 IDEE COCCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCS(=O)(=O)C1 1356301245 GCQFNIAZTSMSKM-GFCCVEGCSA-N 431.308 1.362 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1358889879 IERCRKNRRBRZTH-MAUKXSAKSA-N 433.534 1.578 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCOC1 1359018070 CDONMBGBAIWGHB-LEDOBFOHSA-N 444.507 1.932 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCOC2=O)CC1 1359039215 ZXEGQCBWBASWMW-UHFFFAOYSA-N 442.495 1.594 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359126126 GKZVYAUHXYKBRL-UHFFFAOYSA-N 448.568 1.084 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1359240027 DHERBQQPYHTMIH-OAHLLOKOSA-N 438.554 1.567 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1359256664 MPMDCXLRFJGDIC-IBGZPJMESA-N 446.515 1.999 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359302210 ZHUGJHDRPPMUIE-HUUCEWRRSA-N 437.541 1.568 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359305405 BWZYNDRHDJQUGI-YADHBBJMSA-N 435.569 1.874 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1359526266 CTSHCMLCMYHZHK-UHFFFAOYSA-N 440.639 1.985 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1436329665 ANCIUBDXEKVVLD-CVEARBPZSA-N 440.518 1.707 30 10 IDEE Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456613750 NNSFHGBYGAFJPU-SCLBCKFNSA-N 449.330 1.954 30 10 IDEE N#Cc1csc(CNC(=O)c2ccc(I)cc2-n2cnnn2)n1 1463086531 QRRPBXHTYRODQF-UHFFFAOYSA-N 437.226 1.525 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 1469373306 MQPGNCKTCVXHLB-CQSZACIVSA-N 427.482 1.597 30 10 IDEE C#CCN(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1479223282 XRPGNCJULWIVJD-QAETUUGQSA-N 425.551 1.606 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@H]1CCOC1 1499154343 RAWMNUZKJJSHJM-LJQANCHMSA-N 425.537 1.877 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1502298836 AFKREZOWHHBQGE-SJORKVTESA-N 443.577 1.873 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC1CCOCC1 1507524776 WKKCXCBVBGWLFQ-QGZVFWFLSA-N 436.520 1.964 30 10 IDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCC)[C@H]1CCS(=O)(=O)C1 1507630848 ITRGIJFQRUJZBS-AWEZNQCLSA-N 426.502 1.631 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1507653398 OGAOKCLFCVKENH-IBGZPJMESA-N 445.520 1.180 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1 1507710935 MPYBZOICFLYICO-QZTJIDSGSA-N 432.546 1.734 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCn2ccnc2C1 1507714521 QELYSLKYGLYDEM-BJLQDIEVSA-N 428.537 1.547 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCC(=O)N(C)C)CC1 1507732888 UTPMTWLKXYRTSI-UHFFFAOYSA-N 428.512 1.620 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507847659 PGJFSZZEBUBWPZ-NRFANRHFSA-N 444.561 1.579 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1508135148 FCDRZRZWHDXNFY-CVEARBPZSA-N 440.591 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C(C)=O)CC1 1508145067 WIKRZSWBTCPSKO-UHFFFAOYSA-N 431.562 1.447 30 10 IDEE CCn1cc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)cn1 1515762997 GTFJFSBVEJAABO-ZDUSSCGKSA-N 432.510 1.254 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1516955210 XZSVKHHJJRLOFY-UHFFFAOYSA-N 445.531 1.802 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1526695536 YMEWRTVAQJTVKF-LLVKDONJSA-N 426.969 1.272 30 10 IDEE N#C[C@@H]1CN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CCN1C1CC1 1535122155 QYIHSWQXHVZENR-QGZVFWFLSA-N 444.333 1.719 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1539427612 DXQVHYXVFAJBQD-OALUTQOASA-N 445.612 1.059 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1539626269 CBJKTDMBHWELHO-FUHWJXTLSA-N 429.525 1.938 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1539731288 ZKQASSXURPPIKM-MSOLQXFVSA-N 440.614 1.546 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCCNc2ccc(C#N)cn2)C1=O 1540779844 DCHMQECVGRFYTM-INIZCTEOSA-N 430.509 1.245 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540870221 HTGMTCWEXKHEHN-INIZCTEOSA-N 434.541 1.531 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 1540870960 ARSXKYSTBBOSEW-OLZOCXBDSA-N 435.472 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540900367 SPMYSPOBOSHMPS-HNNXBMFYSA-N 433.534 1.221 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1541035420 XUPYOMJSDAGQAE-UFVMTTLYSA-N 441.536 1.567 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@@H]1C 1541888502 CRDKFLLBPUUJTF-SXGZJXTBSA-N 433.534 1.226 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1555404400 FPTXMCFNQJFYRN-KNQAVFIVSA-N 443.504 1.386 30 10 IDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1555459392 NPCSWXWJHWDBGD-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCc2nccs2)c1 1555986829 CFUYXQQZIVOTKG-UHFFFAOYSA-N 437.529 1.987 30 10 IDEE Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H](C#N)CO)c(C)c1 1556607627 NKSXFNALLJQEPM-HXUWFJFHSA-N 429.542 1.846 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cc2c(OC)cc(OC)cc2OC)c1 1556657772 VENGBAMEOIWYRR-OAHLLOKOSA-N 446.525 1.985 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](n4cc(CO)nn4)C3)C2)C1 1556806977 VTAYOCWNEUBAFR-PVEYFEBJSA-N 444.536 1.721 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](Oc4ccnc(C(=O)NC)c4)C3)cc2C1=O 1556861818 LBEWWMVUBONJOC-QGZVFWFLSA-N 448.479 1.907 30 10 IDEE C#CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1564648590 KUAUCDHRJZOUDG-IRXDYDNUSA-N 441.313 1.939 30 10 IDEE CN1C(=O)NC2(CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)C1=O 1565889055 BDUATVATUCSGSK-FAGJFJLWSA-N 445.520 1.316 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1568508288 LWIGDSSHJJXHAN-FDDCHVKYSA-N 442.516 1.801 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(=O)N(CCC(F)(F)F)C3)C2=O)cc1 1569215935 ZIOIYSUZWJHONA-CQSZACIVSA-N 437.378 1.344 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1588214290 OXYZAQSPFDJXFV-FQEVSTJZSA-N 436.564 1.084 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)SC)CC1 1588923471 ALXQUXZILKFFJQ-AWEZNQCLSA-N 444.561 1.723 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1595428227 KLBCIPZRCYQDOV-INIZCTEOSA-N 428.541 1.976 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595593535 FQMDBXIYXOSNBY-ROUUACIJSA-N 440.548 1.841 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1595684013 XINITSYBWJIRAF-LJQANCHMSA-N 444.513 1.663 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1610090924 BXNWDFCODYOXKA-KRWDZBQOSA-N 441.511 1.644 30 10 IDEE CN1C(=O)N[C@@](C)(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)C1=O 1611235377 DXDOMWZEPOHBDJ-WNSKOXEYSA-N 431.452 1.947 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](CO)CC3CC3)nnc12 1611592236 GVRVBLGEUUIJEZ-OAHLLOKOSA-N 427.530 1.847 30 10 IDEE CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CNC(=O)OC(C)(C)C 1618048989 XSTUPZDLQIPLCY-KRWDZBQOSA-N 443.466 1.991 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCC(C)C)CCO1 1618694766 XMBZZPILHDCWDI-IBGZPJMESA-N 426.521 1.831 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2CCOCC(F)F)cc1 1620352578 UMAJBLMQGKPOQK-KRWDZBQOSA-N 448.474 1.531 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3ccc4nc(C(F)(F)F)[nH]c4c3)C[C@H]1CS(=O)(=O)C2 1620610887 GEHHMXADRSBSQU-QFYYESIMSA-N 427.408 1.390 30 10 IDEE CN1CCN(C)CC(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 1626103941 GOYDHYKLQOETRA-BSYVCWPDSA-N 435.594 1.712 30 10 IDEE O=C(COc1c(I)cc(Cl)c2cccnc12)NCC#CCO 1626174235 OPRUUWIGZUZDPZ-UHFFFAOYSA-N 430.629 1.984 30 10 IDEE N#CC[C@H](NC(=O)c1cc(I)ccc1-n1cnnn1)C(F)(F)F 1626359418 KSUSOJMEVNSUCI-JTQLQIEISA-N 436.135 1.841 30 10 IDEE CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1627323376 DQOICXCFEIQNKN-UHFFFAOYSA-N 438.550 1.224 30 10 IDEE Cn1ccnc1N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1629921219 WDVXBSMKTJAOHB-JQHMZKTJSA-N 428.537 1.856 30 10 IDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1ccc(OC(F)(F)F)cc1 1630436609 UUYQBCHDTMUMKN-CQSZACIVSA-N 428.392 1.827 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OCC)Cc2ccccc2O)c1 1630481578 VGGUCMRJRFBPTB-UHFFFAOYSA-N 430.482 1.509 30 10 IDEE C[C@H]1CN(Cc2ccc(CN(C)C(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1631742770 AYTHFNWPHQDMEA-CALCHBBNSA-N 439.516 1.478 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C 1633903824 HQFNLAVVALGFAU-FUHWJXTLSA-N 434.562 1.327 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccc(CN3CCNC3=O)cc2)C1 1634107602 GCLNUAIORFFCGN-MSOLQXFVSA-N 442.520 1.770 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C2 1636223834 GAVWAQDEEVHGKC-NSHGMRRFSA-N 429.473 1.105 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1637389716 KVURUUJWABQUGV-ZWKOTPCHSA-N 436.553 1.526 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)c1ncon1 1639399250 XXQBGWXLYXCTIE-RDTXWAMCSA-N 425.470 1.708 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1639821852 MPUUYAURSKSTHJ-OGHNNQOOSA-N 433.477 1.275 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)CCO2)cc1 1645728370 XEMYGKVZAVAVRM-NRFANRHFSA-N 433.512 1.982 30 10 IDEE COC(=O)[C@@H](Cc1ccccc1)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1646455074 DMDLEKAATQBPPC-RTBURBONSA-N 426.542 1.831 30 10 IDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653073236 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30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690675970 LJHWGRVSIOMCKH-QGZVFWFLSA-N 426.521 1.443 30 10 IDEE CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695218404 FUWYBAGPIAYMJZ-HUUCEWRRSA-N 447.569 1.065 30 10 IDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1697716748 AMMSXKKFVOYQQP-INIZCTEOSA-N 442.520 1.495 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1705581317 YIHUNIPXRDBFJL-QGZVFWFLSA-N 437.500 1.766 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1705628434 GPQKCEMWRGHXNL-IRXDYDNUSA-N 430.530 1.442 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1705716524 NPMSLFMUNRURRP-KSZLIROESA-N 441.598 1.686 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1705716619 PZVVMYCVNHKSEH-QGZVFWFLSA-N 437.570 1.300 30 10 IDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705825116 JTMXFYJJDZAKGI-UHFFFAOYSA-N 446.596 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705934164 CVYLRDSHPGQGJS-FUHWJXTLSA-N 444.561 1.306 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccco2)C1 1705937997 KNIFWMTYXIBFDU-INIZCTEOSA-N 433.534 1.588 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)C1 1705938468 ZLVCKCHIKCKKPY-UHFFFAOYSA-N 445.517 1.716 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722316966 PHAPHDPHDAEANG-DOTOQJQBSA-N 434.566 1.024 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722335796 GTTJYMHKKLNQFX-AWEZNQCLSA-N 426.502 1.631 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722372713 CXKYKAUIKTWVEM-YJBOKZPZSA-N 438.463 1.618 30 10 IDEE C#CCSCCn1c(C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1722451451 CCXOCKCMMIGXKN-UHFFFAOYSA-N 429.575 1.345 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722508060 KEEMQMLCPCQXRE-KLBVCGFUSA-N 434.537 1.861 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1722529140 PLLUDXSYVDJQAT-OLZOCXBDSA-N 441.476 1.249 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@H]1C 1722598483 IPOQKBCXRHUHFU-SQGPQFPESA-N 426.583 1.903 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722695200 WUGYHVFBAGOKMA-GAJHUEQPSA-N 436.516 1.893 30 10 IDEE CC(C)(C)OC(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1722998774 CADZZHDXEZAXHR-HXUWFJFHSA-N 447.471 1.972 30 10 IDEE CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1723036616 COGUEWKOPRSAPV-UHFFFAOYSA-N 447.503 1.290 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCNS(C)(=O)=O 1727193179 BOIZFHQMZUUUGA-UHFFFAOYSA-N 439.586 1.266 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1728187962 KWLIYIFTEDIKBV-UHFFFAOYSA-N 439.520 1.656 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1730845809 XFCSJPGRIQNWBO-QVKFZJNVSA-N 430.484 1.786 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740586821 OJDAUBFMUFSJIZ-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740593753 OSLUGPFNORGVQE-UHFFFAOYSA-N 434.548 1.140 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1740701082 TZVGSLKSOUPKOW-QZTJIDSGSA-N 426.565 1.916 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740716057 JUOGJXRNUSYWRN-QGZVFWFLSA-N 443.577 1.523 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCOCCN(C)C 1740733572 IIBMUWVLHHTFQU-OAQYLSRUSA-N 430.578 1.840 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncccc2N(C)C)CC1 1740833573 SZKRCJUNXWEINE-OAHLLOKOSA-N 433.582 1.800 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740879682 PUGUGZBSKATQHR-KRWDZBQOSA-N 440.552 1.764 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740883207 MJWOATAVSKASQJ-IBGZPJMESA-N 426.521 1.760 30 10 IDEE C=CCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740950124 PLZNOAOCWJAPID-IBGZPJMESA-N 427.571 1.270 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740985775 LKKSCGIDMCZAAT-HXUWFJFHSA-N 447.605 1.858 30 10 IDEE Cc1cccc(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1742143436 USGWTJHBFPFSBY-QQMHEVNUSA-N 435.488 1.832 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1743399412 XVOHVMFTYMVRNX-CIYLTUBGSA-N 445.549 1.086 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1748710233 KMROOWVABBXLPU-UHFFFAOYSA-N 428.518 1.878 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1748757463 CTKAPNLSESUUHQ-MSOLQXFVSA-N 430.553 1.181 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1748771324 KGIHQQPUOROIPN-OXQOHEQNSA-N 427.496 1.356 30 10 IDEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@]1(O)CCS(=O)(=O)C1 1748774976 AUUBRBLVKNQYHE-HXUWFJFHSA-N 434.587 1.895 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn2ccccc12)[C@@H]1CCS(=O)(=O)C1 1748801894 IWQZBMLRJBJCTG-QGZVFWFLSA-N 426.546 1.898 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1748951392 UONFNLYJQWALRL-ZIAGYGMSSA-N 431.509 1.410 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749109083 BXMFTSJZAXBNKX-SFHVURJKSA-N 434.342 1.907 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749122445 VYTDAIJLYMIZLD-SJLPKXTDSA-N 436.538 1.208 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1749537570 KSGLWEQWWYJKAJ-SFHVURJKSA-N 431.562 1.851 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)C1 1749698739 XLLKWEMCUHJNHO-WMZHIEFXSA-N 449.596 1.822 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1749719072 NDGDQNBCFYJJQS-REWPJTCUSA-N 438.532 1.577 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1750207299 HMYOLIROANKTGH-UHFFFAOYSA-N 435.525 1.809 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750553192 YDPBAYCHKOHZGV-QMWCZEAPSA-N 441.536 1.423 30 10 IDEE CC[C@H](C)c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752626145 SSMAMLPNQHWOHA-VXHFXFQXSA-N 443.552 1.623 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760135920 NUVQUYZSEBCUHD-SFHVURJKSA-N 431.566 1.486 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1760175428 JPHORGGEDJSRRP-SFHVURJKSA-N 435.525 1.452 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760187388 JJSKJHDVORKXJJ-HKUYNNGSSA-N 447.561 1.994 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760187404 JJSKJHDVORKXJJ-PKOBYXMFSA-N 447.561 1.994 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189547 VHEUQSOZDKBTKU-ZCNNSNEGSA-N 449.621 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)CC)CC1 1760255769 IOEKTGUBKGBICL-UHFFFAOYSA-N 447.561 1.152 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760358565 WPVYZDDSXRPLEY-SJORKVTESA-N 427.571 1.283 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1760438075 XQNDZRRQBZRUOJ-GOSISDBHSA-N 440.552 1.575 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1760450840 UDYRTYSVHNBQBM-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCOCC1 1760482921 WUNPGDIRGSMMLT-UHFFFAOYSA-N 444.511 1.607 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760565319 UCYJYOHTVYHWJO-QGZVFWFLSA-N 431.566 1.767 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1760566366 SATBFYWCQJLBGB-DLBZAZTESA-N 444.623 1.730 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760830747 XQKJDWBRIGNNST-CZIZESTLSA-N 441.536 1.377 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cn(C2COC2)nn1 1761075424 RNCVFSRBJFCYGH-UHFFFAOYSA-N 441.540 1.491 30 10 IDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CCCO1 1763197045 BRIQVHJWFPXUFY-XLIONFOSSA-N 437.548 1.629 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1769419160 FIENWTZTHDSHFU-QZTJIDSGSA-N 443.529 1.783 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1771112116 GNXHPWKXVWRNIQ-HOTGVXAUSA-N 446.474 1.412 30 10 IDEE C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1771488660 DKLXWAHCOWRPCJ-RJFWVCBISA-N 430.509 1.253 30 10 IDEE O=C(NCC#CCN1CCOCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1850019610 BWZMMZSXJUEKFH-IBGZPJMESA-N 439.965 1.335 30 10 IDEE C=CCN(C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1)[C@H]1CCN(C)C1=O 1850771425 AHXQWUWULAFWES-FQEVSTJZSA-N 427.549 1.242 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2cc(-n3ccnc3C)ncn2)CC1 1852740293 KBALNLRRXPYHGU-UHFFFAOYSA-N 433.472 1.579 30 10 IDEE CN1CCN(C(=O)CCC(=O)Nc2c(C#N)cnn2-c2ncccc2C(F)(F)F)CC1 1853166207 LUNJSNNMOWLABY-UHFFFAOYSA-N 435.410 1.650 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2=O)CC1=O 1853671437 ZTDBKBLRSSEMQE-OAHLLOKOSA-N 425.407 1.791 30 10 IDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)c3ncc(Cl)cn3)C2=O)C1 1854957641 LLXODXPQLJZRHN-INIZCTEOSA-N 426.864 1.681 30 10 IDEE N#CCCN1CC[C@H](N2CCN(C(=O)COCc3nc4ccccc4s3)C(=O)C2)C1 1855039347 QPYKXWZBICWCIO-INIZCTEOSA-N 427.530 1.472 30 10 IDEE N#CCC(=O)N1C[C@@H](C2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)CC1=O 1855469774 LQKBZJDXMQAVMD-HNNXBMFYSA-N 427.896 1.816 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCc1cnc[nH]1 1870476904 LMQVUVIHAJXAKM-UHFFFAOYSA-N 430.505 1.557 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1889947400 YFNMFYOYJWUZGR-IAGOWNOFSA-N 445.501 1.391 30 10 IDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC(COc3ncccc3C#N)CC1)CS2 1891934773 VFUYEMNLBZNZCS-KRWDZBQOSA-N 425.514 1.858 30 10 IDEE C#CCN(CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1984786434 PIFGKACMBVWPCB-AWEZNQCLSA-N 427.498 1.731 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 2022893839 IKICABFVOHNQKL-DBWCEAHUSA-N 438.525 1.624 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]1(C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248482858 GQZKLRKLFPYJCF-IBGZPJMESA-N 438.359 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2255613824 CZYMQJAXACVATJ-KBPBESRZSA-N 437.346 1.840 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255657323 NMZXLPRFUWVAPN-UONOGXRCSA-N 436.314 1.679 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255886079 BJOUVWNKNOFLKR-OAHLLOKOSA-N 435.330 1.338 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2256920824 SYGQCHCJPZBTOL-UHFFFAOYSA-N 428.298 1.320 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2267180907 KVSFKSNTJUSENN-FVQBIDKESA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@@H](CC(N)=O)C1 2320264359 WPFNNODEYWSAIG-ZNMIVQPWSA-N 437.346 1.792 30 10 IDEE Cc1ccc(Cn2c(=O)c3c(nc(NN=Cc4ccc(O)cc4O)n3C)n(C)c2=O)cc1 2328608017 RHEZDYOPMFSENV-UHFFFAOYSA-N 434.456 1.648 30 10 IDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2367800704 LUWWWMVUAMPPIE-ZVDOUQERSA-N 434.558 1.971 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cccc(C#N)c2)CC1 56936040 KGAMGESVQKPHHE-IBGZPJMESA-N 427.530 1.694 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 429168735 QLQBAIPHJAURQE-NFBKMPQASA-N 432.540 1.529 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 434840516 JFYUEYMTDHWGHZ-QGZVFWFLSA-N 445.570 1.455 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 477314140 MQMTXVZBUCKSHF-SFHVURJKSA-N 441.528 1.662 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cs1 478752713 GVYKSCVUWAWOMT-GDBMZVCRSA-N 445.566 1.353 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)c1 531386028 JBCLQYASKWPEAS-UHFFFAOYSA-N 433.511 1.482 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cc1F 531938515 CPHRBDBJQIUSOD-UHFFFAOYSA-N 439.468 1.966 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CC1 541290398 IJEIEDAWLBWROL-UHFFFAOYSA-N 425.539 1.520 30 10 IDEE N#Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1Cl 542518754 VZGHDQFCDCOBNA-UHFFFAOYSA-N 442.906 1.428 30 10 IDEE CCc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc([N+](=O)[O-])cc3C)c2=O)cc1 544640333 ZYAAHHQVLQCJKQ-UHFFFAOYSA-N 448.504 1.927 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=C)C)CC1 549285078 DLGWVXOYTXJQNN-UHFFFAOYSA-N 440.548 1.963 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)cc1S(=O)(=O)NCC#N 552798449 OPUGILJVIAJURQ-MRXNPFEDSA-N 427.548 1.226 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc(C3CCCC3)nc2N)CC1 554225613 RCVCRPZAWRNWBF-UHFFFAOYSA-N 440.529 1.735 30 10 IDEE N#CCNC(=O)CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 588077187 CPTUIDXDIXXHAV-UHFFFAOYSA-N 438.868 1.327 30 10 IDEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 609729906 XSEMPOWTPCYYMO-INIZCTEOSA-N 428.514 1.720 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccc1Cl 610008392 JUSKDNIEIVBKLO-UHFFFAOYSA-N 448.936 1.349 30 10 IDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 679505184 SFWYWHMGMRNQHF-UHFFFAOYSA-N 432.340 1.668 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 729332448 XWWTXRXUQYDCPV-LJQANCHMSA-N 446.550 1.428 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(c2ccccc2)C1=O 733992916 OKECXOGKIYYQLT-SFHVURJKSA-N 440.525 1.817 30 10 IDEE N#Cc1ccc(OCCNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)cc1 741972276 PTACWMYEOJMHRU-UHFFFAOYSA-N 428.495 1.979 30 10 IDEE C[C@H](CC(=O)N1CCC[C@H](c2nncn2C2CC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742647706 RDVKKJAISQTDPL-CABCVRRESA-N 442.545 1.836 30 10 IDEE C[C@@H](CC(=O)OC1CCN(c2ccncn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 752575338 AIFCXPLSMUKJPW-AWEZNQCLSA-N 429.502 1.506 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 756657259 BWFQQYWGFZZJGO-LBPRGKRZSA-N 433.324 1.137 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758558195 LRGMJNLDZGWFLE-UHFFFAOYSA-N 438.553 1.424 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](OCCN2CCCCC2)C1 759636822 PBQSKNGJAIGVKP-KRWDZBQOSA-N 434.562 1.219 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 766987817 FFKYXUCFHLGGGM-INIZCTEOSA-N 429.454 1.803 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCOc2ccc(C#N)cc2)[C@@H](C)O)cc1C 777303386 VXWVRAITANLNFI-OXQOHEQNSA-N 432.498 1.825 30 10 IDEE N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 781930182 NYZNVQHWEBDRND-GOSISDBHSA-N 428.518 1.981 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 790686257 CEQVMFYZEIEDNW-HXOBKFHXSA-N 441.484 1.795 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCCN1C(=O)OC(C)(C)C 790694034 AMIYSQXBOWRXEB-QFIPXVFZSA-N 431.537 1.775 30 10 IDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 792785481 RSLPTVLPGWJIOV-ZBWUASRJSA-N 439.493 1.824 30 10 IDEE CNC(=O)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 797764430 IXLKKXPVNUOLEY-PBHICJAKSA-N 428.514 1.497 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@H]2CCCO2)CC1 802682776 PDDQDAWPASTVRY-HXUWFJFHSA-N 438.532 1.639 30 10 IDEE C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C1(S(C)(=O)=O)CC1 806217050 BSTJZJRMLMIZLM-IQQDNESTSA-N 442.563 1.587 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\CCCN(C)c2ccccc2)N(Cc2cnn(C)n2)C1=O 807938103 UXYBCIKMDCTBEJ-SLNYWTKHSA-N 429.550 1.278 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811457610 LTQRSHQDGULZLE-WMLDXEAASA-N 436.534 1.598 30 10 IDEE C[C@@H](C(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1)n1cnc(C#N)n1 812772758 ICWHOBYJLIBXQT-GTPINHCMSA-N 431.541 1.691 30 10 IDEE COc1ccc(C=c2c(=O)oc3n2-c2oc(N)nc2[C@@H](c2ccc(OC)cc2)C=3C#N)cc1 1084396311 NCZWXYKKNJTZIP-IBGZPJMESA-N 442.431 1.666 30 10 IDEE C[C@]1(C#N)CN(C(=O)c2cc(I)ccc2N2CCOCC2)CCO1 1134270952 OUFZOLZEYORROT-KRWDZBQOSA-N 441.269 1.882 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(=O)nc1O 1166683480 MDAOOYJZNZBDAM-FQEVSTJZSA-N 443.463 1.724 30 10 IDEE C#CCN(C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@@H]1CCS(=O)(=O)C1 1167959749 PQZKKJZJRQIJCP-MSOLQXFVSA-N 426.579 1.915 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(Nc3ccccc3C#N)CC2)[C@H]1c1nccn1C 1168615059 YVRQICJBXHWDBP-SFTDATJTSA-N 436.516 1.683 30 10 IDEE C=CC[C@@H]1CCN1C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1180063689 KQKPNFOUBRZTHN-GTHWOCLESA-N 426.560 1.557 30 10 IDEE C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(S(C)(=O)=O)cc1 1254390211 DVBYHOYFOWIWLW-MRXNPFEDSA-N 427.530 1.992 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1286294867 GAVKVLMYKOALMB-JYJNAYRXSA-N 427.571 1.130 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286321188 LAWDDIUWHWJJFC-GHTZIAJQSA-N 438.580 1.471 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1286400926 LTCQUJQCBCNXFC-DEOSSOPVSA-N 442.608 1.418 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1286434900 YBRJDHVJIMFZSM-KRWDZBQOSA-N 449.577 1.858 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1286467366 OVZGLFKEEISCDS-QZTJIDSGSA-N 446.577 1.349 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1286494958 WMIJCFDMWJGYPX-QWFCFKBJSA-N 429.565 1.953 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286689154 XKLPIGMLRREZMR-SFHVURJKSA-N 445.593 1.962 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1286726523 FWLBXZKREZFJIR-MRXNPFEDSA-N 425.530 1.608 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(=O)OC)C1 1286778932 BTIYYXAEWHNDEB-LLVKDONJSA-N 437.298 1.337 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286785105 DVQSAHDBEJXQBR-UHFFFAOYSA-N 437.548 1.871 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCO[C@](C)(C#N)C3)CC2=O)cc1 1289338675 CEQNOGCLSIYKFA-HRAATJIYSA-N 448.545 1.211 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1293215839 GKELAFYJJGXSOJ-MRXNPFEDSA-N 428.518 1.109 30 10 IDEE NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1294496565 UTEDEXDMJLOWDF-QGZVFWFLSA-N 435.377 1.986 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2=O)cc1 1296292096 BRNMQOBATKOBEF-ILXRZTDVSA-N 429.420 1.393 30 10 IDEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300371806 YAQDZRIPEMPPPV-UHFFFAOYSA-N 432.550 1.674 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300495045 CBTVLRSKDKFOLZ-RNIPGJKVSA-N 436.578 1.612 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300503787 FOYYRIPKKBWEQP-FUHWJXTLSA-N 449.552 1.573 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300673750 YCUBFRKSNXWFPC-QGZVFWFLSA-N 437.591 1.298 30 10 IDEE C#CCSCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300778544 YZVSEQHTXYBOGL-LEWJYISDSA-N 436.578 1.681 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1300872835 HJHNJGJQMQYREP-QXSJWSMHSA-N 429.612 1.811 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1300928901 PWIFNSKKINOZNA-UONOGXRCSA-N 439.542 1.549 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1301257885 FVESXZJLBXDUMI-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1301340352 GIKZDCBVLFFENL-HSZRJFAPSA-N 437.548 1.547 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301497124 PBSABADDENNEFA-UHFFFAOYSA-N 437.483 1.206 30 10 IDEE CC(C)C(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302444018 YPJIMAOTCXHCFN-FQEVSTJZSA-N 436.564 1.603 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302977624 BJMBALDCUIMNRQ-IQRQVKIWSA-N 429.456 1.140 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1303641947 SVBYYEFEELIYNQ-PKOBYXMFSA-N 440.552 1.996 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)c1 1304727522 KDRGFRMPWUGAEW-NGEICVOHSA-N 436.555 1.545 30 10 IDEE CC[C@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1305374678 MXBIHMXOVRNXAT-STGLLQLASA-N 431.541 1.669 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1316264890 UGQGUQATTFXLAP-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE CSc1cccc(N2C[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)c1 1351734937 DJXIJOCQLNTECP-ZDUSSCGKSA-N 426.502 1.831 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1355013112 HUEDKDJBPWWMPG-CABCVRRESA-N 426.491 1.107 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1356279487 YWSYKSLOVLUORK-JKSUJKDBSA-N 427.509 1.973 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358958398 NHUHYZHOZBNKBR-ROUUACIJSA-N 447.517 1.905 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1358965116 OGBMFCOYZBUDOD-RXVVDRJESA-N 429.546 1.460 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(OC)CCOC1 1358976063 PAGXPLNTMAKDIS-OAQYLSRUSA-N 442.545 1.117 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359293926 DVIDQWHGWRXTIH-AWEZNQCLSA-N 443.464 1.432 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 1359298895 OVHAOAKVXLZASK-GOEBONIOSA-N 444.923 1.843 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359335591 PJWUBFASEWBYHM-UHFFFAOYSA-N 443.570 1.473 30 10 IDEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)N1CCOCC1 1359593949 HUXSMBNGNHJEAA-UHFFFAOYSA-N 437.548 1.629 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1359752695 WPZVLNAQYPEAKR-WFFNQTJDSA-N 444.536 1.907 30 10 IDEE N#Cc1c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)ncc2c1COCC2 1461015554 OXSNHQZYNXINDJ-UHFFFAOYSA-N 448.526 1.290 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@@H](CO)[C@@H](CCO)C1 1472393046 FSKINHZXCCLIGV-CMKODMSKSA-N 429.517 1.842 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NCc2nc([C@H]3CCCO3)n[nH]2)cc1Br 1475436645 CKNGHIDZVHYUBG-LLVKDONJSA-N 430.259 1.908 30 10 IDEE N#C[C@]12CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@H]1CS(=O)(=O)C2 1478625358 ANKYJKDNNZSTMU-JLJPHGGASA-N 439.335 1.875 30 10 IDEE N#Cc1cn(CCNC(=O)NCC2(Cc3ccc(Br)cc3)CC2)c(=O)nc1O 1478987557 NRIJZDNJQNZKGJ-UHFFFAOYSA-N 446.305 1.905 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1502969492 FEKCTBGLMVDUTM-YGCDDZCOSA-N 437.504 1.872 30 10 IDEE COc1ccccc1O[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1504426054 IDCLRIOHZMBFGQ-IAGOWNOFSA-N 440.504 1.605 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccncc2)CC1 1505136113 BTGWUPKGLHBLNM-UHFFFAOYSA-N 437.529 1.536 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1507600894 LFGWBVCFWWWKAU-SJLPKXTDSA-N 447.561 1.482 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633018 RCYOHRBVZVKELV-DLBZAZTESA-N 437.566 1.015 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1507835689 JVZDXXDTPIRSTK-UHFFFAOYSA-N 435.479 1.905 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1508077038 JRQYZNQOGDRCIX-CYBMUJFWSA-N 425.942 1.770 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508135494 IVZPQAVQCSQJGP-OALUTQOASA-N 432.546 1.930 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1509957082 XUCPXNWQZZCVLJ-JTQLQIEISA-N 427.387 1.423 30 10 IDEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1513752289 UJGYOVVSGSHSSA-BZNIZROVSA-N 427.531 1.397 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1OC 1518129607 FWDNOGWJCCUJEI-WVFSVQOHSA-N 431.468 1.944 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1snc(C)c1C#N 1523958478 YVARXUNVHXQWKV-UHFFFAOYSA-N 449.558 1.910 30 10 IDEE C#CCOc1ccc(CNC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1 1526038899 HVAWYAVTEOKDTL-UHFFFAOYSA-N 431.514 1.207 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1539215595 GNDYBONGTYBDHA-SFHVURJKSA-N 442.545 1.026 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1539220106 PPAVKFKEIKGLNU-ROUUACIJSA-N 430.578 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1539295756 FFCZLCRGRDRQOI-SFHVURJKSA-N 434.610 1.473 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1539326711 YLVMHHCDNQTEPJ-KRWDZBQOSA-N 447.586 1.492 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539446311 WLDFDJGCUSEDNB-OAQYLSRUSA-N 436.608 1.430 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539909993 SCHIMVDCYQBDEV-HNNXBMFYSA-N 443.939 1.743 30 10 IDEE CN1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540370818 HCLMCIFZQLEFQS-LJQANCHMSA-N 441.532 1.280 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1540869296 IGYBWXZWYXOIOE-HUUCEWRRSA-N 442.524 1.422 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 1544636566 OKMHEBRBBIBCNW-UHFFFAOYSA-N 427.504 1.022 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1554177677 KBHVECDYZXPNPX-VZCXRCSSSA-N 430.472 1.898 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1554314876 RHHCFVSKZIMXQI-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE COC(=O)Cn1nc(C)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C 1556062245 AJTDOSSPELGUIU-HNNXBMFYSA-N 443.891 1.867 30 10 IDEE CN(CCN(C)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)CCN1C(=O)c2ccccc2C1=O 1556854756 FQBRTJYPTXZZDJ-HXUWFJFHSA-N 443.507 1.927 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CC)C1 1587580457 PXOWNKWYWYJLPV-ROUUACIJSA-N 444.605 1.995 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1C 1588098948 DMMIDIILXGLRJL-UHFFFAOYSA-N 440.305 1.966 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1588574746 RDXDREQJSCYHLZ-OAQYLSRUSA-N 447.923 1.099 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](CCC)OC)CC1 1588780174 JCZKDKFYZKNRQC-FQEVSTJZSA-N 435.536 1.491 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1588923967 RZDKUVPARDOUHY-IBGZPJMESA-N 441.624 1.395 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1589125948 SODLLACBEWXRDN-JTSKRJEESA-N 447.605 1.792 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCS(=O)(=O)CC1 1589664208 VKABHKZPNNJBRS-MRXNPFEDSA-N 430.596 1.407 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1595212979 WITBVUQDZAWULW-KRWDZBQOSA-N 430.534 1.364 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 1595466194 GCXNRALYSOOTKH-UHFFFAOYSA-N 438.532 1.818 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1595556100 NUUXYXTUYWSCAH-QGZVFWFLSA-N 446.983 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)CC1 1595830472 CUSBWBHANGLJAQ-UHFFFAOYSA-N 449.602 1.806 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CCO1 1596641047 BPSFHZPWQQQBIC-HXUWFJFHSA-N 434.504 1.445 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)nnc1-c1ccco1 1597195460 JTJTVJWFBQGSPN-AWEZNQCLSA-N 439.563 1.604 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H](C(F)F)N1CCOCC1 1613987760 ZDTOPZCHFINSPU-QGZVFWFLSA-N 447.490 1.731 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCC[C@@H]1C 1620018253 BRHDVOXLAAEFEL-NSHGMRRFSA-N 431.585 1.663 30 10 IDEE COCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620080431 YBCWCPBIOUBQPD-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE Cc1cc(F)ccc1N(CC#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1623885920 ZYFDTQTUYDUMGA-UHFFFAOYSA-N 433.241 1.897 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(N2CCNC2=O)cc1 1630740558 DXMSZSDOXUTYMG-GJZGRUSLSA-N 441.513 1.632 30 10 IDEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1633949490 HBPKVRGUYOFGBI-GUONMYPDSA-N 445.932 1.630 30 10 IDEE C=CCOC[C@H](NC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)C(=O)OC 1634063930 STARXNAXADRDBZ-INIZCTEOSA-N 432.477 1.833 30 10 IDEE N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1638062023 VVIAZTAOECNCAR-MRXNPFEDSA-N 444.513 1.742 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1640163692 NIJSERBZQIJIEF-INIZCTEOSA-N 429.498 1.695 30 10 IDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 1642563613 GCVXKQJDUGQFIQ-RDJZCZTQSA-N 448.545 1.257 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)cc1 1642570828 DKCOAWKSFJSYPQ-QGZVFWFLSA-N 425.470 1.136 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1644583902 TXAXLKRKLOCAFA-HXUWFJFHSA-N 431.514 1.817 30 10 IDEE COC(OC)C(=O)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1647549618 SKWHTZDIYLZDNT-CQSZACIVSA-N 434.562 1.979 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1654604204 PGUVEMLJSPZHMP-XDNAFOTISA-N 449.552 1.509 30 10 IDEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1658029059 GXPAZZSVSXLYJY-OAHLLOKOSA-N 426.539 1.222 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689989640 HODWAKCOPIJEER-ZWKOTPCHSA-N 432.550 1.004 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689993531 GEZPEXOYTLBNRN-SJLPKXTDSA-N 449.602 1.687 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnn(C)c2C)CC1 1690133675 PIGZPAOTIXUWKP-UHFFFAOYSA-N 435.532 1.711 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)Cc1ccon1 1690198054 AFLXJOJQLHEBIS-HXUWFJFHSA-N 444.517 1.946 30 10 IDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 1690311371 IZSWGMCXBURUPR-UHFFFAOYSA-N 440.552 1.323 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1690597242 NIXQEJVEEMNPMS-QZTJIDSGSA-N 446.577 1.759 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](OCc2ccccc2)C1 1690659585 XIQHUTHXUKDMRW-SFHVURJKSA-N 426.521 1.514 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)C2)cn1 1696856094 ZAJSUYLLQBOFDB-INIZCTEOSA-N 440.458 1.925 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccco1 1705616796 NRHDOFUXGDXEIL-UHFFFAOYSA-N 426.502 1.752 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1705631740 OWCJKHRBRFRTKN-HXUWFJFHSA-N 427.597 1.390 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C)s1 1705662066 PBDYJBQWYYEKDG-CQSZACIVSA-N 425.605 1.948 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)NC 1705670244 MOGYCTFDEYYMSR-HXUWFJFHSA-N 433.534 1.504 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1705756155 RMHXWODGUCKRDS-UHFFFAOYSA-N 446.983 1.814 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705899944 LNZSSLYYXSMIKB-IEBWSBKVSA-N 425.537 1.189 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705934601 QTCXFWJFMQWPRG-UHFFFAOYSA-N 443.529 1.489 30 10 IDEE Cc1nccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1707785068 DNCPVTMTPBKRDZ-UHFFFAOYSA-N 434.504 1.650 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1709910695 UNTMCTBNEUVTGX-LJQANCHMSA-N 441.511 1.945 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1709938283 LRTYJANIYQWICP-RBUKOAKNSA-N 445.545 1.636 30 10 IDEE COC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1712159973 FGEFWGZVZMHYHE-GOSISDBHSA-N 435.488 1.460 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1722316608 KGWHDUYWSYUFST-DLBZAZTESA-N 425.555 1.030 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722334636 HGWHYITVTDIVQK-LJQANCHMSA-N 430.578 1.785 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364089 WZZBHCFFGDYDGE-WBVHZDCISA-N 445.545 1.251 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1722364945 JPRYGZCXIQYBAE-KRWDZBQOSA-N 442.570 1.704 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722371913 MYYAAWLYRRQSGH-IBGZPJMESA-N 430.578 1.728 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722372107 PHVSYLILOVJMEX-SFHVURJKSA-N 446.577 1.072 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1722381934 BQGIQZFMSMETSV-WOJBJXKFSA-N 431.606 1.765 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 1722427092 FYRLZLFWAUKJMI-MRXNPFEDSA-N 431.541 1.982 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1722436538 AUKZTURTEWNOCI-RDGPPVDQSA-N 435.594 1.139 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@](=O)C(C)(C)C)CC1 1722437163 AFKXMKJLZFUADX-HKBQPEDESA-N 446.577 1.308 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1722441443 QIFZNFIVNPGXMS-GAJHUEQPSA-N 444.580 1.277 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1722695216 XEEZHMKDZVTNBL-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1722745429 AJSFZGKGELYDPA-UHFFFAOYSA-N 426.521 1.663 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722781181 CVIRUAJPOCQUPF-SFHVURJKSA-N 442.545 1.310 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CCO1 1729687706 AAEZDIISRHCHFD-FQEVSTJZSA-N 447.499 1.318 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1729739048 DUXRQZRLCNKKJG-GOSISDBHSA-N 442.501 1.537 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1740551595 LLYVMKKYGQBAJC-NVXWUHKLSA-N 430.530 1.848 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740620192 CEIDDWDJRGGZAK-IRXDYDNUSA-N 449.627 1.815 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1740699440 HBAWLKIMPDYVOW-UHFFFAOYSA-N 435.532 1.399 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740793813 MEGWBLIAHHYGHJ-UHFFFAOYSA-N 448.593 1.717 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(CC)C(=O)C1 1740955413 UDMVZRDPQCVQHF-UHFFFAOYSA-N 442.520 1.323 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)C1 1740979010 GCXKHRXRVUCSOT-RTBURBONSA-N 438.532 1.613 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1740994246 LMBZUPIEUFZOQS-WBVHZDCISA-N 437.566 1.005 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1743295490 JQCMQOIMEYXWDZ-JKIFEVAISA-N 434.522 1.216 30 10 IDEE CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1744579011 AEIYIYJPDPQXEN-UHFFFAOYSA-N 426.521 1.647 30 10 IDEE CCOCc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1747174166 AOTLSXQADCAQPS-RSBDWGPQSA-N 430.509 1.346 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1748579373 XMOKNYAETCBTRS-LAUBAEHRSA-N 426.477 1.169 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1748864569 ZMVNWYHKNIHISZ-SFHVURJKSA-N 440.573 1.868 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CCOC 1748888397 VLDUXUKYEMKUMF-UHFFFAOYSA-N 433.516 1.635 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCOCC2)CC1 1748994436 HFZBLCQXTJXTJH-UHFFFAOYSA-N 425.533 1.196 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C)cs2)CC1 1749009789 LKYWWXIMXAJAJM-OAHLLOKOSA-N 427.534 1.008 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749039047 OZCNREPHLYVJLC-HOTGVXAUSA-N 432.550 1.359 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1749064762 ISNIEGMWAXOCRR-OAQYLSRUSA-N 440.529 1.229 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749420621 HVLNECYZEPURDC-OAHLLOKOSA-N 430.538 1.756 30 10 IDEE Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1751917894 OHDOYLVLKIOBBN-RJCBAWPRSA-N 429.525 1.102 30 10 IDEE Cc1noc(C)c1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1751952811 NGLHPYSBCLHGAP-DYESRHJHSA-N 430.509 1.895 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760186577 OWJFQPRCUIVJRL-GOSISDBHSA-N 449.621 1.896 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1760187541 JZXVYXKMIJTZGS-XUVXKRRUSA-N 449.621 1.531 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCC)CC1 1760251699 GRWZNOYUOVBRGK-UHFFFAOYSA-N 430.940 1.653 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(C)(C)O)CC1 1760260490 UWGHGWOAQAJGHN-UHFFFAOYSA-N 449.559 1.591 30 10 IDEE C=C(Br)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760313511 BXWYGJDWVHTTNZ-GOSISDBHSA-N 440.342 1.650 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(CCOC)c2)CC1 1760397283 PZHKPIQNOBZDQO-HNNXBMFYSA-N 437.570 1.182 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1761360529 OKHUZRVZICLESQ-HUUCEWRRSA-N 442.524 1.222 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1768749914 CUKCNEPNPPMOEA-PREGVCBESA-N 425.468 1.989 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)C1CC1 1769819096 HPLNMFOPGSCZDF-WMZHIEFXSA-N 438.532 1.915 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1770862648 BBUKSWMMYUIYJK-NRFANRHFSA-N 443.529 1.149 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(Br)cn2)CCO1 1771536831 CKFWRVIYAVSKNQ-KGLIPLIRSA-N 449.313 1.007 30 10 IDEE Cc1ccc(N(C(=O)[C@H]2CN(C)C=N2)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1848449727 VOUKHMHXVAGZHW-QGZVFWFLSA-N 428.518 1.676 30 10 IDEE N#Cc1ccc(N2CCC(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)cc1 1851832227 MRQYRFKBQPOLFO-UHFFFAOYSA-N 431.562 1.259 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 1852924937 GBPHVJLIGMZCMK-INIZCTEOSA-N 434.562 1.589 30 10 IDEE Cc1ccc(C(=O)NCCC(=O)N(C)c2ccccc2C#N)cc1S(=O)(=O)N(C)C 1858019037 ZEKDZTJQBGESHW-UHFFFAOYSA-N 428.514 1.900 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)OCO3)C1 1858334351 GNVHUAQEAYCNOO-AWEZNQCLSA-N 435.483 1.028 30 10 IDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1C)C2=O 1861530841 NRKJKPNRMKRXSC-LAUBAEHRSA-N 447.491 1.982 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1870144302 WWKQKVFKNRJXOE-UHFFFAOYSA-N 432.396 1.391 30 10 IDEE COc1ccccc1/C=N/Nc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 1873527230 QLBZVZZSOBEMAQ-MEBUONCMSA-N 441.307 1.820 30 10 IDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873593772 HJKKJJMQCMNLIM-IAGOWNOFSA-N 428.537 1.293 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCCn3ccnc3)ncnc21 1875231508 QETDNNDSBBBEHY-UHFFFAOYSA-N 438.536 1.066 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1892090571 HRLZFKKRMJZUHL-NHCUHLMSSA-N 448.552 1.845 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)COC[C@@H]1NC(=O)OC(C)(C)C 1904342725 ADYXSDGYOWLQFQ-VBKZILBWSA-N 429.514 1.794 30 10 IDEE COC(=O)[C@@H](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)NC(=O)OC(C)(C)C 2010517757 SWAQQIWGWKUACH-ZWKOTPCHSA-N 430.505 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2126933804 QBTDZNJJHONOQX-UHFFFAOYSA-N 448.329 1.476 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)C1 2243258674 RMHMOHCJAZLKQT-RDCFFDHZSA-N 425.526 1.685 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243675743 ABDBPXJPXGSYHM-CQSZACIVSA-N 426.344 1.549 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255698233 HAFQKXNXBWJIIU-KRWDZBQOSA-N 434.342 1.943 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824971 ROUPXGLVQXMOGR-DZGCQCFKSA-N 434.346 1.752 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2255844088 QHHJYRBIXIIREF-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255878941 HWMVVNHRPCZQFF-KRWDZBQOSA-N 434.342 1.943 30 10 IDEE Cc1c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266991282 DRTHDORMCUDDIF-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267146615 OVIUUEKQXDKJTH-GJZGRUSLSA-N 448.373 1.918 30 10 IDEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267267300 JHEJYBRRMSWTBL-AAEUAGOBSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2267267810 ZMGDFWFFCWELOY-IAGOWNOFSA-N 447.341 1.481 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267504242 PPBNFLXNFFSROD-KBMXLJTQSA-N 446.357 1.847 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269042779 VDCHMSSQLDOEPM-PBHICJAKSA-N 441.293 1.564 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073198 HMUGIGINLUCEBQ-YOEHRIQHSA-N 443.309 1.508 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2272633363 LVZXCCQUUKELJU-PEBXRYMYSA-N 444.341 1.763 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 431956302 UATJDKMFUAPGPV-UHFFFAOYSA-N 441.513 1.062 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cn1 462088693 FEYSSFGKYJYKKZ-UHFFFAOYSA-N 436.520 1.737 30 10 IDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CC2)c1C#N 472202798 BKGOKBNOPLIMNH-UHFFFAOYSA-N 437.909 1.536 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C4(c5ccc(C#N)cc5)CC4)CC3)C2=O)n(C)n1 474197122 VCRNPQOIJAWLJY-OAQYLSRUSA-N 446.555 1.972 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 482323850 ZTHYBIYYTKAJGU-CZUORRHYSA-N 437.468 1.471 30 10 IDEE COCC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1 504288640 IQQNJFXEVYHNLI-QGZVFWFLSA-N 432.502 1.945 30 10 IDEE COCc1nc([C@H]2COCCN2C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)no1 508271211 ZGFNNRMCUNFPDA-OFLPRAFFSA-N 442.476 1.956 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C)CC1 508781745 WSPBSMVOKLMESF-UHFFFAOYSA-N 428.537 1.704 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)CC1 509472738 OLOXWIRAFYNBQA-UHFFFAOYSA-N 440.401 1.485 30 10 IDEE CSc1nc(O)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)cc1C#N 513053853 FORLMVBIFXSETK-KRWDZBQOSA-N 427.530 1.400 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)cc2C1=O 516392257 GCROHPBQPNNFEB-MRXNPFEDSA-N 449.463 1.523 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2=O)c1 520898327 NIJXLEHRIDVEMM-INIZCTEOSA-N 442.497 1.341 30 10 IDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)c1C 536439934 LHZSCVOWDCOGJE-UHFFFAOYSA-N 444.499 1.828 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(C(=O)N3CCCC3)CC2)CC1 537257996 AHJPZNIFDSFWHS-LJQANCHMSA-N 429.590 1.791 30 10 IDEE COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 561531200 NBHYTZJUVGPIAG-UHFFFAOYSA-N 430.324 1.579 30 10 IDEE C#CCN(CCCN1CCOCC1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586152086 WVELUWVIHDFMJO-UHFFFAOYSA-N 435.546 1.168 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 603798770 NIRYUDWQTNOVRQ-INIZCTEOSA-N 447.507 1.786 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccccc3S[C@@H](C)CC#N)CCN2C1=O 610776396 AMQBUNPTPKIXDI-ZFWWWQNUSA-N 429.502 1.514 30 10 IDEE COc1cccc(N2CC[C@@H](CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 726563670 QWAMOKYQWHAMDQ-HNNXBMFYSA-N 428.514 1.376 30 10 IDEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 733617075 DJZRKSNOVXVYMI-UHFFFAOYSA-N 433.578 1.758 30 10 IDEE COC(=O)[C@@H](NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(C#N)cc1 739990802 ODEUESDQNGKMNV-NRFANRHFSA-N 443.525 1.724 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)NC(C)(C)C 740495171 LTOAZBLCUFIKLS-KRWDZBQOSA-N 447.561 1.209 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1 758639806 GWWOTOBPNCMBSQ-WBVHZDCISA-N 434.518 1.189 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(CC#N)ccn1 764205974 KYURHXLACZBYLP-KRWDZBQOSA-N 430.486 1.816 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccccc3)c2=O)c(C)o1 767956815 YSFBLSAVYRRAIE-UHFFFAOYSA-N 449.532 1.530 30 10 IDEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 774178681 LVSJDSMSCTZLSM-SFHVURJKSA-N 426.498 1.666 30 10 IDEE C#CCN(C(=O)NCC1CCN(Cc2csc(CC)n2)CC1)[C@@H]1CCS(=O)(=O)C1 774210756 CLIMXHWQGKSNAU-GOSISDBHSA-N 438.619 1.749 30 10 IDEE CCOC(=O)c1c(NC(=O)N(C)CC(C)(C)S(C)(=O)=O)c(C#N)cn1CCOC 775766761 COQZVKCDRWZYJZ-UHFFFAOYSA-N 428.511 1.470 30 10 IDEE CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)ccc21 780208101 ZMSZRHIYZPIGQJ-HXUWFJFHSA-N 428.466 1.730 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=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)c1 800429065 CXRWCXMEQHLIJQ-VYMIKVQASA-N 425.510 1.765 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 800734252 ICERQRWUZIPXFT-UHFFFAOYSA-N 435.456 1.710 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC)n1 812039808 IHWKTAKXRUQXJL-UHFFFAOYSA-N 442.545 1.851 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)OCc2ccccc2)n[nH]1 1084321595 HQAVTXXMTDDNDI-UHFFFAOYSA-N 429.506 1.892 30 10 IDEE COc1cccc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)c1OC 1084347528 YHBBHDCZMSRQME-UHFFFAOYSA-N 430.494 1.410 30 10 IDEE COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1117349213 BJVUNWLFZCIOEP-CABCVRRESA-N 427.461 1.386 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1135670631 VZKDETLTNQOSJM-KRWDZBQOSA-N 439.534 1.008 30 10 IDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(=O)/C=C/c1ccc(F)cc1 1142426864 UJURYUCHJXNUAT-NYYWCZLTSA-N 435.433 1.753 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)n1 1143258900 ALKKJYNLIFSPOM-NSHDSACASA-N 427.577 1.954 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)CC1 1175514761 HULLNXUMKCEPQQ-UHFFFAOYSA-N 440.497 1.398 30 10 IDEE C#CCN1CCN(C(=O)CN2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)CC1 1197978603 JXNKVHFWJJSNBH-NRFANRHFSA-N 442.361 1.897 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1227478345 AAUZVECQHRXDFE-WMLDXEAASA-N 426.495 1.496 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1286295396 ISRGIMJNTFVLCO-WMLDXEAASA-N 437.953 1.771 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286322024 CCKAOOWEBFCTIG-SJORKVTESA-N 439.582 1.418 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286344837 KHRYSVZCYZAZJT-GOSISDBHSA-N 440.533 1.348 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCn1cc([C@@H]2CCOC2)cn1)[C@@H]1CCS(=O)(=O)C1 1286386337 YRCXLGDSTCXRBA-IEBWSBKVSA-N 446.577 1.429 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286388451 PERRIJPOCCPETI-ZWKOTPCHSA-N 448.545 1.669 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1286395620 SGLMSXIPRAEHFW-IRXDYDNUSA-N 449.602 1.920 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@H](O)C2)CC1 1286473960 ZEIPTXXTIKHRCY-JTAQYXEDSA-N 431.581 1.625 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2([S@](C)=O)CC2)CC1 1286493142 LSKVJBIUFHALJT-ZOKDDAQRSA-N 433.578 1.049 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286506477 JADYGWDQVQHUKM-HOTGVXAUSA-N 432.550 1.011 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286510123 JOKRQXXGVWYMEF-QGZVFWFLSA-N 433.509 1.314 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1286517983 XOCUXOUWZZPSSV-RZQQEMMASA-N 434.566 1.776 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1286522429 KBFMTTAUEPIFRW-AHRSYUTCSA-N 437.635 1.610 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCCO 1286522777 QGTNXYUUWJCQPP-OAQYLSRUSA-N 446.577 1.629 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1286792370 VXQHTWIWBNJMRR-INIZCTEOSA-N 442.520 1.130 30 10 IDEE CC(C)C#CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1290461148 GLEUXWREDNBTHT-UHFFFAOYSA-N 425.894 1.163 30 10 IDEE CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290636246 JTIWOIXDDCUWCT-INIZCTEOSA-N 432.468 1.568 30 10 IDEE CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1293612307 LZWBQVJBJATQEG-SGRLSNSRSA-N 437.504 1.406 30 10 IDEE CNc1ccc(C#N)cc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1296944137 KDCRKOTZWYLWQZ-JLTOFOAXSA-N 434.518 1.820 30 10 IDEE CN(C)C(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1298012422 YFITXGOGJTWEBW-LAPQFRIASA-N 435.504 1.579 30 10 IDEE C#CC[C@]1(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1298093339 OOGPWRFIRZHNAZ-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1298534889 AIRTVJMYABHYST-BSBNDGSWSA-N 439.520 1.815 30 10 IDEE C#Cc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c1 1299356164 GVOIOLBQSFRDTM-UHFFFAOYSA-N 430.486 1.991 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 1299859769 CUYYKWJLOFDRBU-OCCSQVGLSA-N 446.451 1.285 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 1299977884 JSYRWHJZHJXRRM-BEFAXECRSA-N 435.546 1.299 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1300288431 AYGOGBWDPZTOLH-OAHLLOKOSA-N 448.545 1.360 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)O)c1 1300332174 ZCJNQWWDQQKKQG-UHFFFAOYSA-N 447.499 1.753 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1300479401 NQVNJKRMDJSWNF-OKZBNKHCSA-N 449.577 1.024 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](c1c(F)cccc1F)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300482454 FORTUXBNNUNZDR-QAPCUYQASA-N 437.516 1.794 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1300577790 BSQPRPDPQGGZQD-UXHICEINSA-N 431.606 1.908 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301034190 NEKBKLUFLXPALQ-BEFAXECRSA-N 446.987 1.810 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1301350249 YMKVJJVHUBJACN-QGZVFWFLSA-N 432.550 1.313 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1303228738 PVFROXCQFVWHGO-OOADYSHXSA-N 444.536 1.560 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1303974323 ICNANIUFRXTWFO-QFPXGYFVSA-N 430.509 1.314 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1sncc1Br 1303977656 CBONLNZDYDWUIW-VIFPVBQESA-N 429.321 1.760 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1316527163 HTQNZUBLZNNJCM-SCLBCKFNSA-N 434.453 1.730 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1358890856 WJEBOQUUAAVULI-CXAGYDPISA-N 439.488 1.395 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1358938289 WFMUBVDUGFXSSK-ZIAGYGMSSA-N 428.559 1.213 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1359064011 JFEMUTZMCKRLEH-NIKGAXFTSA-N 437.591 1.850 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)C1 1359310752 FUFDDBPYENGFMO-KRWDZBQOSA-N 428.493 1.205 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)C1 1359312873 BZBDQOSDVPDOBZ-RDTXWAMCSA-N 447.458 1.390 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2cncn2)CC1 1359332059 NUUUKIYCLUSTRZ-GOSISDBHSA-N 449.581 1.629 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1360135849 CAVWIPASRLYTDV-GOSISDBHSA-N 430.578 1.894 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1360474638 SJWFOXPNNHXCNO-KGLIPLIRSA-N 434.522 1.711 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1436660017 RRRBUAMZZAYNEP-IJEWVQPXSA-N 426.922 1.612 30 10 IDEE CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C#N)cc2I)C1 1439398256 SQOSFBLAKDFTTJ-NSHDSACASA-N 433.271 1.773 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)nn1 1439739876 JZWTXLHKUAOLEN-GOSISDBHSA-N 426.477 1.888 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1475467485 LURRHIPXQXEBCI-UHFFFAOYSA-N 443.323 1.766 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1492509109 HJDSURBSGMYTRH-HXUWFJFHSA-N 430.534 1.328 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cs1 1492681607 BSUUGJZUZPTUNJ-INIZCTEOSA-N 436.563 1.187 30 10 IDEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1503527083 KFBXTSSREWGTNW-UHFFFAOYSA-N 442.495 1.772 30 10 IDEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1503813207 KURHFMDNTXSPOC-IBGZPJMESA-N 426.521 1.833 30 10 IDEE COC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1504599521 UPOMZNOOPURCTP-AQNXPRMDSA-N 438.532 1.805 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1505078391 RZOKZCXLFYFFGT-KWPYODMFSA-N 444.536 1.765 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1505120315 AXEFVFLKUISFSM-IAGOWNOFSA-N 428.518 1.109 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507521563 OEHIFJVPMOFCHY-KRWDZBQOSA-N 440.548 1.584 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1507669671 PIDZFOUMMCWTII-IBGZPJMESA-N 426.542 1.894 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCS1(=O)=O 1507707994 FVTBIRLAGLJMSI-KRWDZBQOSA-N 446.529 1.727 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507752192 WLOOHRRODNVYDQ-MRXNPFEDSA-N 429.550 1.125 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1507850959 DDWZKTJOXCAADN-SFHVURJKSA-N 429.546 1.737 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507958959 FGOMTZFJMSOWAP-UHFFFAOYSA-N 444.561 1.881 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2ccco2)C1 1508090940 JKHOXVUCCNJWQT-GOSISDBHSA-N 425.493 1.613 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098771 RLRGENIMVFFXKZ-VGSWGCGISA-N 435.569 1.872 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1508412622 CJGBGSSUXVJTRG-QGZVFWFLSA-N 446.577 1.667 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC[S@@](=O)CC(F)(F)F)C2=O)cc1 1532250411 CXGJIPWNEOAQAX-JYCIKRDWSA-N 430.408 1.190 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(C)(=O)=O 1539251981 UTRQSRWIMOVCSJ-UHFFFAOYSA-N 430.530 1.858 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1539264990 BJGKVKFRMBPOTP-NRFANRHFSA-N 448.552 1.546 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 1539462249 QOOJOADHXZONAG-UHFFFAOYSA-N 426.912 1.443 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539526192 LDYBJRJXBNUTEE-FQEVSTJZSA-N 443.573 1.873 30 10 IDEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539836805 ZTPIFNCDOCPGRW-NRFANRHFSA-N 448.545 1.668 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)C1 1540874475 HXMSCBRLRILTAS-UHFFFAOYSA-N 440.548 1.735 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(NCCN2CCOCC2)c(F)c1 1542438790 WLLDFGKUPPCUJL-UHFFFAOYSA-N 433.528 1.258 30 10 IDEE CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1552715209 XEUGWGCOGXKNSJ-MOPGFXCFSA-N 435.532 1.622 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1554316214 FEXLAAQNGIPDAV-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE COC(=O)[C@@H](c1cccc(OC)c1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1559639868 FMUVCWZBTIYMDN-HXUWFJFHSA-N 429.498 1.787 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2sc(Br)cc2C)CC1 1561296724 USTBPDBYNWRACN-UHFFFAOYSA-N 434.381 1.265 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 1561940051 IJPWXFLBCBZLAW-UHFFFAOYSA-N 435.365 1.229 30 10 IDEE Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1586934866 CQEIXPDEWXLDIT-CYBMUJFWSA-N 427.408 1.770 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(C(N)=O)CCOCC2)c1 1587689345 HCQWQYQFEILDLB-UHFFFAOYSA-N 436.516 1.494 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ncccc3C#N)CC2)s1 1587691399 ULFSGTKCHYOUSA-UHFFFAOYSA-N 431.543 1.370 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1587878657 DIXZBRQQOADHGJ-UHFFFAOYSA-N 435.532 1.239 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1587898193 JPXVIPFEEXUVAL-SFHVURJKSA-N 426.521 1.558 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(-c2ccc(F)cc2)n1 1587990282 UZMOPGFMFVKMEF-MRXNPFEDSA-N 442.520 1.817 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)c(F)c1 1588024749 KNIAVAXIIANZGD-HKUYNNGSSA-N 429.496 1.949 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1588045020 FNRHYPNPZQLXLO-OFJJUDJNSA-N 449.602 1.212 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnnn1C 1588189993 WXNXZLBWLPCUGK-UHFFFAOYSA-N 435.488 1.611 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1588637245 BZORIEQDFYSSKR-UHFFFAOYSA-N 444.517 1.115 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2cnnn2C)CC1 1588890711 DZRGSSJQTYSBSM-NRFANRHFSA-N 446.559 1.963 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1595155882 AKTAKOLYSHNWGO-LJQANCHMSA-N 448.574 1.482 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595496848 ISUYDKDSDVQEQP-SJORKVTESA-N 443.460 1.379 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1595522997 LUZMYJVOYNMHRE-UHFFFAOYSA-N 441.442 1.995 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 1595745646 UUBHVYCFKOENTQ-LJQANCHMSA-N 445.495 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 1595777900 UFEYBDFMCXKKQT-UHFFFAOYSA-N 449.533 1.443 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(I)ccc3O)C[C@H]1CS(=O)(=O)C2 1597372509 ZOHMRDYQFDBTMZ-XPTSAGLGSA-N 432.239 1.007 30 10 IDEE Cc1[nH]nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1I 1611246366 XXEJOUMRGYBKGR-ZJUUUORDSA-N 445.261 1.812 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(c3nnc(C)n3Cc3ccc(C#N)o3)CC2)cs1 1612427997 QKUXMHRGLKXYAN-UHFFFAOYSA-N 433.519 1.375 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCS(=O)(=O)CC2CC2)c1 1620348764 FWYPFUAJAAMLNV-UHFFFAOYSA-N 429.546 1.850 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(S(C)(=O)=O)[C@H](C)C2)n(-c2ccccc2)c1C 1620419838 KGPXFXMPCHNCHV-OAHLLOKOSA-N 429.546 1.870 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc3c(nc2O)CCOC3)cc1 1624926590 CENHZYBVTQPAGU-PTGBLXJZSA-N 430.486 1.925 30 10 IDEE COCc1noc(CN2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 1625362482 TYHXGXRKCBSHFY-UHFFFAOYSA-N 447.536 1.511 30 10 IDEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1625819786 GTLAHRKYYOMHFM-HKUYNNGSSA-N 449.529 1.186 30 10 IDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1629218058 CDVPLTHKQOFFNE-WBMJQRKESA-N 446.472 1.963 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1 1630881559 WSWWEVDARNAYMN-CQSZACIVSA-N 446.451 1.552 30 10 IDEE N#Cc1cccnc1NCCNC(=O)Cn1nc(Br)c(Br)n1 1631238917 FFIJOCYIXWIASA-UHFFFAOYSA-N 429.076 1.298 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C2(CNC(=O)OCc3ccccc3)CCCC2)CC1 1634876231 IIYNMDKNADFLCT-UHFFFAOYSA-N 440.544 1.367 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1635737534 QIHFNNCPNLSZKY-UHFFFAOYSA-N 432.546 1.208 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)c1C#N 1638116390 CAIZPSPUGRTIOT-INIZCTEOSA-N 432.525 1.788 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1CC1CCCCC1 1643028612 HQMMBMFIWOQJTB-KXBFYZLASA-N 432.546 1.522 30 10 IDEE N#Cc1cccc(CC(=O)N2CCN(c3ncc(I)cn3)CC2)c1 1643192600 KHJSPHJHGCNBOW-UHFFFAOYSA-N 433.253 1.844 30 10 IDEE Cn1cnc(-c2nnc3n2CCN(C(=O)COc2ccc(C#N)c(Br)c2)C3)c1 1643794136 UUPJNZMZVKGLJG-UHFFFAOYSA-N 442.277 1.734 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1645391757 VOCMEYVZWXPXRS-UHFFFAOYSA-N 426.498 1.652 30 10 IDEE CC(C)n1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c(O)nc1=O 1650867218 WZPBXYAIEHVMLR-RPYGNYITSA-N 445.520 1.933 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)CC1 1661311809 UIZXISXFYJCDDG-UHFFFAOYSA-N 447.561 1.238 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 1666315525 MHSMGYZCDHAQSU-UHFFFAOYSA-N 428.533 1.561 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2)nc1 1674952235 ZJCFFWKLRZUSKD-SFTDATJTSA-N 435.532 1.835 30 10 IDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1675956183 RPDWNZFYBBEZDC-UHFFFAOYSA-N 442.545 1.376 30 10 IDEE C#CCSCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1677865570 DRPHFPXHMKFRQU-XHSDSOJGSA-N 438.550 1.577 30 10 IDEE C#CC[C@@H](COC)NC(=O)NC[C@H](O)COc1ccc(I)cc1 1683130368 KEIWLPZUOWNYEW-KBPBESRZSA-N 432.258 1.368 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1687213977 LAZNVMBFUAUUPJ-IBGZPJMESA-N 448.564 1.811 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1689847863 KDFLBMFYQRPMLX-CQSZACIVSA-N 440.529 1.227 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689935323 CRVSVGHSOBDWCQ-LJQANCHMSA-N 426.542 1.940 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1689988746 VQXCJOBGBZGYMS-GJZGRUSLSA-N 437.591 1.142 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1690046574 DMNGBHYUCLBKBK-AUSIDOKSSA-N 440.569 1.941 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1690103303 BVDYIWDIIHSMOG-PGRDOPGGSA-N 425.489 1.355 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1690125809 NSRDFJNNPCGIRX-UHFFFAOYSA-N 427.549 1.660 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690244234 VFFUGGYENKAUJP-APWZRJJASA-N 446.577 1.839 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1693931528 BRGXHDRDCCVVHI-GAJHUEQPSA-N 440.548 1.909 30 10 IDEE CCCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695280958 ZXRSUYORESBJTR-SFHVURJKSA-N 442.568 1.839 30 10 IDEE C[S@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCC1 1698321329 FMLLKCFIJTXIKX-HJWYETAXSA-N 439.607 1.611 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705517439 VQRIJFFGRZUAIL-JKSUJKDBSA-N 434.522 1.253 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C(F)(F)F)n1 1705551082 GDJFRTOJSBKGDO-CYBMUJFWSA-N 443.451 1.742 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1705569782 JTWPXOJUJWLZSV-SLFFLAALSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1705573910 QIDJMNIDVFVGIY-WBVHZDCISA-N 438.463 1.618 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nnnn1CC1CC1 1705585522 GKFLNHSJIYRETI-UHFFFAOYSA-N 430.516 1.992 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1705589564 SGKZWATYJDGEJJ-RBUKOAKNSA-N 434.610 1.472 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCNC(=O)C(C)C 1705619211 KMKWDJOGSHBWSE-UHFFFAOYSA-N 428.512 1.967 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705813933 XMOZYCDGLIDUOL-UHFFFAOYSA-N 437.508 1.182 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705934126 BSSSPEIDBCFEAE-UWJYYQICSA-N 447.561 1.634 30 10 IDEE Cc1coc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1707716610 QBKZFNHQMQJGIN-GUYCJALGSA-N 436.538 1.465 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CCN1CCOC 1709549015 IELWDRDMLPWHCF-FQEVSTJZSA-N 439.564 1.890 30 10 IDEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1711019712 HOOIHQJJRLWOOK-SFHVURJKSA-N 430.534 1.496 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)C1 1712428319 HSCYJRQCOOXGRB-GOSISDBHSA-N 448.549 1.545 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1722308398 MBXWOZYMAITETD-INIZCTEOSA-N 436.582 1.141 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCC2)c1 1722310098 SKIJMGOFKDYEBJ-HXUWFJFHSA-N 449.559 1.771 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1722369653 DGYDSGCIWFDQPI-SPOLIRPYSA-N 436.578 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1722397698 MOBSKIVMBNCYKP-LJQANCHMSA-N 433.516 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2cnc3c(Cl)cnn3c2)CC1 1722447791 PPOFKMIWZVALIN-UHFFFAOYSA-N 440.939 1.745 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722682805 KFMQQSPUKSEINH-GDBMZVCRSA-N 433.896 1.408 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CO)CC1 1722691917 CBDOVVLZGVPFNN-UHFFFAOYSA-N 426.521 1.658 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(CCOC)c2)C1 1722708781 DATGFMXQMIFCSL-GOSISDBHSA-N 429.525 1.187 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CCC(N)=O)CC1 1722727902 PIJQJXXPIDGOCA-UHFFFAOYSA-N 446.577 1.731 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCO1 1722985403 BSERRVVAWZFIFN-ZACQAIPSSA-N 448.524 1.494 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1728665653 BOJNMZUMIVWIIB-UHFFFAOYSA-N 447.547 1.280 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@H]1CC 1740570988 LYEJLOZEQIWYDJ-QGZVFWFLSA-N 443.577 1.757 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 1740967147 YBULWTOZEPKQCR-UYAOXDASSA-N 438.532 1.947 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC)CC1 1740969310 MVDRGLXGOJOPQU-SFHVURJKSA-N 438.532 1.805 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2NC(=O)CC2(C)C)C1 1740983893 RUHUVWZCUBJWMJ-QZTJIDSGSA-N 427.553 1.836 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1741983228 IERDEZURDUPKAQ-QFBILLFUSA-N 437.566 1.242 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1744502826 DNZPEQVLDNBBRD-OAHLLOKOSA-N 426.525 1.149 30 10 IDEE CCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1745676269 IOBIBBQKLFDFCF-JOCHJYFZSA-N 442.568 1.969 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1746536947 MLHAMIZYFSYZDH-MOPGFXCFSA-N 442.545 1.680 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(N2CCCCC2)c1 1748961020 UYTLCSULNMFSBX-LJQANCHMSA-N 437.548 1.749 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC(C)C)N(C)C)CC1 1748995034 WUOXAGAXXHKUBN-NRFANRHFSA-N 426.613 1.871 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1749577448 MZLZREBXCNBXOA-PGRDOPGGSA-N 440.504 1.059 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749676771 CWTVTNNMHNCRRV-MSOLQXFVSA-N 425.489 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCOC1 1749727209 PYNCLSHNEFBEKF-INIZCTEOSA-N 434.518 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1749727503 WFOJIYSUJGLKSR-NRFANRHFSA-N 443.529 1.413 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760137878 YSWATUNEWFUDPO-RDJZCZTQSA-N 426.525 1.607 30 10 IDEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760143421 GINHNFBMLHDHNX-RCCFBDPRSA-N 442.564 1.147 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1760183807 UCKZUWORBRYBFD-HNNXBMFYSA-N 449.602 1.694 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760189578 PZDAPGRVYLZIFF-GOSISDBHSA-N 443.577 1.238 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1760450841 UDYRTYSVHNBQBM-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCCC1 1760500624 QPSAMSADPYDXQE-UHFFFAOYSA-N 432.569 1.946 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1760510933 WLGIIQVIWAGNJV-GOSISDBHSA-N 440.614 1.847 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCn2nc(C)nc2C1 1760528109 SEIPBLFMVYXGMW-UHFFFAOYSA-N 436.520 1.642 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760555744 MCVUPFAYQOLFQZ-IAGOWNOFSA-N 447.565 1.176 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760566053 KCSXENGXFPKGDO-GJZGRUSLSA-N 448.636 1.113 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1762409970 PQWDALVANRIMHE-HOTGVXAUSA-N 445.549 1.911 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762696513 FIBSFUBYHHIJQQ-MVZUJROASA-N 441.536 1.204 30 10 IDEE CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764578697 YVGJARDIHMAETG-UHFFFAOYSA-N 432.488 1.325 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCS1 1765234749 AYMWKSVGBRYSPZ-PXNSSMCTSA-N 447.586 1.698 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccco1 1768637255 AVDMUCNKCJEENW-UHFFFAOYSA-N 447.499 1.932 30 10 IDEE COC[C@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1769412486 YMGHCJTZXJPCLG-HOTGVXAUSA-N 433.534 1.946 30 10 IDEE COCCN(C)CCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769786987 GTBBDXKXCQPXOR-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCOCC2)CCO1 1770746430 FVXBJILMKCLDSL-ZDUSSCGKSA-N 437.298 1.306 30 10 IDEE CC(C)(C)n1ncc(C#N)c1NC(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851109100 MMNORYHVMFYCLB-GOSISDBHSA-N 429.546 1.790 30 10 IDEE COc1ccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c(OC)c1OC 1852623196 YSIFLKMDYICCFA-UHFFFAOYSA-N 426.473 1.958 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1(C)C 1856395210 MFAOKONIAMQHSL-HNNXBMFYSA-N 425.576 1.784 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[C@@H](N(C)CCC#N)C3=O)C2)cc1 1856496776 OFFQCXLKPCZILV-IEBWSBKVSA-N 432.546 1.369 30 10 IDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C(=O)C2)C1 1856843884 JHHOANCOMNFJIT-CQSZACIVSA-N 427.427 1.353 30 10 IDEE C#CCOc1cn(CCOC)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870559745 POSAHAPFJFPSBT-UHFFFAOYSA-N 439.512 1.553 30 10 IDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 1891665369 SMMBMQMJPIMWRN-MRXNPFEDSA-N 429.502 1.719 30 10 IDEE C#CCn1ncc(N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106019390 GZMGEHQFCMXIKN-NSHDSACASA-N 427.299 1.421 30 10 IDEE N#CC1(CS(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CCOCC1 2174787716 XEWWCNHYXNAOQT-SFHVURJKSA-N 437.518 1.264 30 10 IDEE C#CCN(CC(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2216452215 AWVBTSLLUYYQDZ-OPAMFIHVSA-N 439.553 1.981 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243696370 BGCOFLZXCXLJCK-NSHDSACASA-N 427.332 1.657 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247951197 HTLQWIFVCFQFKZ-UHFFFAOYSA-N 440.371 1.930 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2249491469 ROIVIQFCXAQYEL-UHFFFAOYSA-N 433.261 1.725 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCOC[C@H]3OCc3ccccc3)[nH]n2)OC1(C)C 2255626610 IATUUFIHEHPHQK-SJLPKXTDSA-N 427.310 1.813 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255878326 WZLMDLUBOOBTRJ-OAQYLSRUSA-N 435.330 1.386 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256007658 AWKQKVOORMMWMT-UHFFFAOYSA-N 436.314 1.994 30 10 IDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256927021 GYRKTEVZMSLCPJ-CQSZACIVSA-N 440.277 1.965 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267166272 PUHQBGDTYFPHJY-BPUTZDHNSA-N 444.341 1.761 30 10 IDEE CC1(C)OB([C@H]2C[C@H](C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)C2)OC1(C)C 2267190033 IYSPKKZBJGGNHW-LPWJVIDDSA-N 447.263 1.240 30 10 IDEE Cn1cc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267196233 CTGFBIXEZOGCMJ-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]12 2267273065 HOOZSAIGJGXFQG-BFHYXJOUSA-N 447.345 1.242 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267594819 AHQRTYMLIYYXGZ-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE Cc1nc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)ncc1B1OC(C)(C)C(C)(C)O1 2268650085 NBHUVQLSFSPJLG-HNNXBMFYSA-N 448.329 1.659 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CCC1 2315530716 AKKSJBNNYNBGNI-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2365203180 RSUDQLKLZAMRDY-UGKGYDQZSA-N 436.574 1.955 30 10 IDEE Cc1c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 33811880 OAYAQDUZLCPAPL-NTEUORMPSA-N 432.527 1.842 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3C(=O)COc4ccc([N+](=O)[O-])nc43)cc21 96552431 DHZOQDVHHHHENZ-LBPRGKRZSA-N 438.396 1.898 30 10 IDEE CN1C(=O)N(C)[C@@]2(O)c3ccccc3/C(=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@]12O 104650789 FBLGRDBPYWFAER-VOVPWFJUSA-N 428.361 1.164 30 10 IDEE CN1C(=O)N(C)[C@]2(O)c3ccccc3/C(=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@]12O 138021142 FBLGRDBPYWFAER-YRCSKZRBSA-N 428.361 1.164 30 10 IDEE C=CCNC(=O)[C@H](C)n1cnc(I)c1I 308933304 OQYMTIGHLRLUDY-LURJTMIESA-N 431.015 1.956 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 439955255 YJEFDQOOOVNOAS-UHFFFAOYSA-N 439.497 1.833 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 444340148 HMBKXJKAVGLUFQ-UHFFFAOYSA-N 442.476 1.587 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 446632295 AOAQGWQCJCNRNO-CTWPCTMYSA-N 427.505 1.676 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1S(=O)(=O)NCC#N 467750652 AMNLSFGLLSSPEP-OAHLLOKOSA-N 433.921 1.854 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476801844 GPFJAMVGHTUDFI-YOEHRIQHSA-N 430.530 1.773 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)CC1 479325845 SUIQEKCYRIMOKV-INIZCTEOSA-N 437.566 1.215 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 480754706 FAIXHKDLWGHQLO-IBGZPJMESA-N 431.489 1.821 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 482203679 AVXBXLKBTAEHPD-KXBFYZLASA-N 426.498 1.537 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CC3)c2=O)cc1[N+](=O)[O-] 517352908 GLWIKWBGIPLJTB-UHFFFAOYSA-N 442.497 1.437 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 530315541 SQXQECYLKNTTCX-INIZCTEOSA-N 445.491 1.808 30 10 IDEE Cc1nccc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CC2)n1 545397589 INLJDIWJZMAWOL-OAQYLSRUSA-N 437.523 1.455 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3c3nccs3)CC2)cc1 547298094 AFRZHFZSOXVMMD-QGZVFWFLSA-N 431.543 1.517 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCCC1 548536142 WPMUIOXJPNZRRL-UHFFFAOYSA-N 441.531 1.105 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 564496277 KDDZAMQVNWITDU-GOSISDBHSA-N 430.578 1.935 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)cn1C 577943954 LIKNNHBJPDJASJ-UHFFFAOYSA-N 431.493 1.304 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729459442 RMBNFPUFRIVWPL-LLVKDONJSA-N 444.293 1.367 30 10 IDEE CNC(=O)c1cccc(OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 758492523 OMADVPOPSCATCQ-LYBHJNIJSA-N 444.513 1.877 30 10 IDEE CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 764747667 QYAVPWCCWZEZBN-QGZVFWFLSA-N 440.508 1.812 30 10 IDEE CCOC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 769744109 GWDCTNDJLTYWON-HOCLYGCPSA-N 429.502 1.857 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCc2cnccn2)C1=O 774582446 MRAKBPMLPSZZLR-SFHVURJKSA-N 444.536 1.858 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 781598097 QDYRQADEPSIIJS-UHFFFAOYSA-N 445.453 1.864 30 10 IDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 790020396 ADOYOUKXQBXTJO-OZWCPCLCSA-N 436.559 1.211 30 10 IDEE C[C@H](C#N)Oc1ccc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 792741585 YWEXRVYHCWUGND-QUCCMNQESA-N 436.560 1.914 30 10 IDEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)c2)s1 806711458 HTCUFMJREFENNB-QGZVFWFLSA-N 441.509 1.941 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCC[C@H](C(F)(F)F)N3)CC2)o1 808604880 MIEXRGWKZLXWKD-GXTWGEPZSA-N 429.399 1.120 30 10 IDEE Cc1ccn2ncc(C(=O)NS(=O)(=O)c3cc(Br)c(C#N)cc3F)c2n1 809125120 GIGFMOQSFXHGGY-UHFFFAOYSA-N 438.238 1.930 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2c3c(nn2C)CCCC3)C1=O 812221776 DRPBEOAKNZMYQI-QGZVFWFLSA-N 442.545 1.970 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1129928519 QWBSGQJWCWQCGD-KKUMJFAQSA-N 426.491 1.317 30 10 IDEE C#C[C@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1131469776 YOYUXTABVDUPPB-INIZCTEOSA-N 428.551 1.345 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1132601227 RSEGPEVCEWOKMW-GOSISDBHSA-N 442.541 1.051 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1135522738 DBDZYXMUWOHJMB-JXMROGBWSA-N 447.444 1.849 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1152029660 VBOLHQXWNQKQDE-UHFFFAOYSA-N 427.480 1.847 30 10 IDEE CC(C)[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1156562865 XEIUBRVLXKBLTD-GOSISDBHSA-N 430.459 1.987 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN[C@@H](C(C)C)C3)nnc12 1161674327 VJFDEUCIFWRNKO-MRXNPFEDSA-N 426.546 1.779 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1165490048 SMHQDTOSVLKLEN-LJQANCHMSA-N 445.497 1.205 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)OC1(C)C 1176612815 YVHTXRPESALZLH-QGZVFWFLSA-N 447.316 1.884 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2nnc3c(=O)[nH]ccn23)CC1 1193032393 CLHYGFWBEOWOLJ-HNNXBMFYSA-N 428.294 1.563 30 10 IDEE N#CCc1ccccc1S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1208391973 FFOHFFUPYGVANC-SFHVURJKSA-N 449.554 1.688 30 10 IDEE Cn1ncc(I)c1CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1234977937 WPGZGHXLQYHBKJ-NSHDSACASA-N 431.278 1.970 30 10 IDEE CN(C)CCn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1=O 1267147022 CAGPYYYJNMZRQF-HNNXBMFYSA-N 427.892 1.927 30 10 IDEE CCOC(=O)[C@](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)(C1CC1)C(F)(F)F 1279179069 GRORPBNDQDOUMM-MRXNPFEDSA-N 433.408 1.116 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1286385799 PHNJUMRNVZTFEL-OXJNMPFZSA-N 443.573 1.790 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286511969 PYRVRKQHAHHMRF-FQEVSTJZSA-N 429.550 1.537 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286601233 JNDNTLSCIVENLN-UHFFFAOYSA-N 438.536 1.602 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1286758062 BVSRUCGQCNDTSL-QZTJIDSGSA-N 438.598 1.274 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286781642 WEVHYBACNDLVLC-UHFFFAOYSA-N 445.612 1.474 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCOC1 1286822106 YZNYHPOYJQMQIR-CQSZACIVSA-N 426.489 1.973 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1289361794 KMOUSAPMFSNBOA-JOCHJYFZSA-N 441.484 1.635 30 10 IDEE CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1298025576 FBEOGSCKNLIMAF-KZNAEPCWSA-N 427.484 1.400 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300482725 GQCYUQOAYOZWRI-IBGZPJMESA-N 438.594 1.862 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300506165 NRWOBPWDQMSPQA-UMWAFNGASA-N 442.607 1.304 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300654740 FPRSTNPPQBHQEA-KRWDZBQOSA-N 447.561 1.321 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@@H]1C 1300655293 VDPCABXJIRSLHZ-OPAMFIHVSA-N 430.505 1.588 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300743662 XDUDEGKHTBFCIM-LJQANCHMSA-N 429.546 1.661 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1300779893 HVSUOZNRJSGLQN-YCRPNKLZSA-N 447.561 1.946 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1300849677 SBLRFNLULPECGJ-HNNXBMFYSA-N 442.358 1.670 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300885972 UOVJZAJKIDZCHI-SBHAEUEKSA-N 446.596 1.711 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301251913 JEGICQJPJRTFTH-OALUTQOASA-N 442.568 1.947 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](N1CCOCC1)C(F)(F)F 1301313140 XODHEPMIYVYOOD-JYJNAYRXSA-N 433.475 1.887 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2C1 1301474975 JNFUFSFURJGONH-UHFFFAOYSA-N 430.459 1.657 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301520953 VCHGALKXHFHQBK-RDTXWAMCSA-N 431.459 1.962 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301576151 AGKSMFMKIONFEE-IRXDYDNUSA-N 448.501 1.669 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1301727950 PDJHHDUEEBUBQR-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN(C)C(C)C 1303402276 HLDLFNDZQBVEFR-UHFFFAOYSA-N 439.568 1.350 30 10 IDEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1303889286 CNGSMIIWVZGRPK-FQEVSTJZSA-N 431.518 1.125 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(CCc4cnccn4)CC3)CC2)c1 1312945134 JIOBVLHIEBJXMH-UHFFFAOYSA-N 433.560 1.883 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1313191364 UBNGUXBQSGTANR-IBGZPJMESA-N 439.541 1.465 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 1314901098 VKRPPONWIBNNDW-YCRPNKLZSA-N 440.458 1.604 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1315019916 DVJFFBRBUMUGGT-UHFFFAOYSA-N 435.532 1.695 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1315073847 ACLTXCVQJPMHQI-SFHVURJKSA-N 425.489 1.748 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@@H]3CCC[C@H](C2)C3O)CC1 1319325866 KUNUNNTTWVGYGL-NYTJIUQPSA-N 425.489 1.548 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1358872684 XLLLLGSJVCZCCD-VHSXEESVSA-N 436.485 1.870 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1358878009 OKNQJUSJDOKTAO-NYHFZMIOSA-N 441.557 1.817 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1358963002 AFDCCAOZWRFQEX-GHTZIAJQSA-N 441.601 1.914 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358963931 QESUXQYYRVRSLU-WMZOPIPTSA-N 448.520 1.627 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358965714 ZVBOXRCBVDGZHC-HOJAQTOUSA-N 445.589 1.952 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCC1 1359023275 GAGSZQSGVPZKMF-UHFFFAOYSA-N 449.559 1.857 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1n[nH]c(C)n1 1359023867 YXSUXUHEFURLEY-UHFFFAOYSA-N 433.476 1.349 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2n[nH]c(C)n2)CC1 1359030917 KKCNPZQMWMAMOA-UHFFFAOYSA-N 442.474 1.971 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359056118 YLMJFYCDTXQBFF-IRXDYDNUSA-N 440.577 1.491 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1359056466 FWEGZUBJJLDVDV-MRXNPFEDSA-N 429.612 1.460 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359097880 VCTUWTHPMZSDAC-WMZOPIPTSA-N 449.581 1.132 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC2CC2)CC1 1359158196 JDMJJNZKLBKMIS-UHFFFAOYSA-N 430.534 1.907 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1359164795 ZVHVESOUTQOISK-KRWDZBQOSA-N 436.538 1.784 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359292946 BQTKAUGQTCOXMG-NYHFZMIOSA-N 442.495 1.718 30 10 IDEE C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1359337842 CNJGMXVUTHYNAW-UHFFFAOYSA-N 437.591 1.951 30 10 IDEE Cc1ccoc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1360952762 AWSRBJKVUDJHPH-INIZCTEOSA-N 449.519 1.743 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCSCC1 1443578951 BDRVGSDCXTYPBB-CYBMUJFWSA-N 442.003 1.517 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1COC(=O)N1CCCC1)c1cc[nH]n1 1449220680 NRWAPFZNSJXEFP-HNNXBMFYSA-N 435.481 1.307 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1452941443 FYZJKFNHILMNKG-SFHVURJKSA-N 435.527 1.780 30 10 IDEE C=CCn1c(SCC(=O)NC[C@]2(CO)COCCN2)nnc1-c1ccc(Cl)cc1 1454780401 NRFFJTUBBNYKGL-IBGZPJMESA-N 437.953 1.344 30 10 IDEE C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCN1c1cnccn1 1460969845 FAAFYAVBXIXYEZ-ZWKOTPCHSA-N 425.562 1.458 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC[C@@H](C#N)C3)CC2)c1 1471765663 BLISBWUFARDFFD-IBGZPJMESA-N 446.573 1.679 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@]3(C)CN(C)C3=O)CC2)c1C#N 1492727180 KDPILKZYELVVBP-OAQYLSRUSA-N 425.541 1.120 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507590009 UJSNBGFQIPKCIG-INIZCTEOSA-N 436.607 1.813 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1507637706 MGRSDRBZHTWKSK-ROUUACIJSA-N 430.530 1.445 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1507668291 XTZKBEQDQCDSKM-UHFFFAOYSA-N 438.532 1.581 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3ccccc3C2)CC1 1507717141 YRTUZMYTQNGMJE-UHFFFAOYSA-N 435.576 1.230 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NCC)CC1 1507791567 NFDLPUSSYTXOBB-SJORKVTESA-N 433.557 1.249 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507873418 KISMAIKMYMZVPT-KKUMJFAQSA-N 433.962 1.273 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1508145207 KQJMZCAHLIUIIT-KRWDZBQOSA-N 449.552 1.571 30 10 IDEE Cc1ccc(C(=O)NCCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1510701150 FGPFCZCWCHLHKL-HXUWFJFHSA-N 431.500 1.731 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1513760919 CMIRQRQAUCHDAX-HXUWFJFHSA-N 430.488 1.309 30 10 IDEE CCc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513918734 ZKUGMKJHVMOJKJ-MRCUWXFGSA-N 437.504 1.399 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1517302886 OIWAAMFDAXJIKA-UHFFFAOYSA-N 440.476 1.069 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 1521308935 BQRIKSIYSASFGL-UHFFFAOYSA-N 429.292 1.772 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCCC2)nnc1N1CCN(CC(F)F)CC1 1521423084 IFXWCBPFQYWGCL-ZZEZOPTASA-N 449.506 1.849 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)n1 1539273457 SMUISXKGASSJDA-UHFFFAOYSA-N 444.543 1.492 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1539315817 VJMUIEDOZTVUHP-UHFFFAOYSA-N 443.511 1.440 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2F)CC1 1539427608 DVLCVSRABPESMK-SFHVURJKSA-N 440.523 1.876 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539446248 AITYFMREQGXMPA-GOSISDBHSA-N 440.514 1.954 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(O)cc2)CC1 1539477195 JYLATWSDMLUFDV-LJQANCHMSA-N 436.516 1.143 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539599790 KOSHALUKIRZRNC-PEUVFPKISA-N 445.383 1.686 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1 1539669704 SKRPUMOEWXIPFP-MRXNPFEDSA-N 430.596 1.407 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539734883 BJTKQXDKHLXRNS-IBGZPJMESA-N 445.520 1.506 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CNC(C)=O)C1 1540867780 HMSKFQKMOWYCMA-QGZVFWFLSA-N 426.521 1.608 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540870772 WUUJXWHTNGDHBT-INIZCTEOSA-N 433.557 1.104 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccsc2)CC1 1540871270 HVIGOXSXBIJSBQ-KRWDZBQOSA-N 449.602 1.928 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccsc2)CC1 1540871271 HVIGOXSXBIJSBQ-QGZVFWFLSA-N 449.602 1.928 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1547218520 QEPWIVPJIUIZGV-OAHLLOKOSA-N 427.509 1.672 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C[C@@H]1C 1554558752 MSCHEHKOPNLZMK-HNNXBMFYSA-N 425.493 1.618 30 10 IDEE CO[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1554590763 BWDWKCPIIWGYLB-INIZCTEOSA-N 447.503 1.554 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1555710009 HFJIIGCAMQABDL-MBSDFSHPSA-N 438.532 1.784 30 10 IDEE CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1556782809 SVTNNAGDMVXKAP-MRXNPFEDSA-N 435.527 1.856 30 10 IDEE Cn1c2c(ccc1=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1557326618 JGGRXUDVMWEYMY-MRXNPFEDSA-N 428.514 1.398 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(Cn2cnnc2)CC1 1557381476 FYUVTYOKQOJXGT-GOSISDBHSA-N 444.561 1.670 30 10 IDEE C#CCN(C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@@H]1CCS(=O)(=O)C1 1564794423 BQEIKALELVSUMC-JKSUJKDBSA-N 448.495 1.975 30 10 IDEE C#CCN(CC(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC)C(=O)OC(C)(C)C 1569337305 SARJYRPVXUTQEL-UHFFFAOYSA-N 425.507 1.553 30 10 IDEE COc1ccccc1[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1587334301 UOOUSCRDLNFEQI-GOSISDBHSA-N 429.498 1.724 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCS1(=O)=O 1588099606 SBMJYPXGSHWFIE-SFHVURJKSA-N 427.486 1.893 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCCC1 1588139751 QSMVMHMXJMQUKM-IBGZPJMESA-N 433.578 1.654 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588433208 NASWRYPDCNXIBN-OAHLLOKOSA-N 428.459 1.123 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(C(C)(C)C)s2)CC1 1588806218 JVCBTVPXRIGVBM-CQSZACIVSA-N 428.566 1.182 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1589047685 FPHZYJAKHOGJHJ-UHFFFAOYSA-N 442.549 1.491 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1593764076 WSSSQNHMHNLZQT-UHFFFAOYSA-N 443.527 1.854 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1593809274 XLUDPOSDRYPJQV-ZBFHGGJFSA-N 431.928 1.835 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1594803305 RSYHJDJTDHRPQV-SFHVURJKSA-N 446.577 1.937 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)CC)C1 1595730717 YEQYPTHHDSURHO-SJORKVTESA-N 441.598 1.829 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)o1 1596898684 UQZFHGWXEZQBPZ-KRWDZBQOSA-N 447.513 1.845 30 10 IDEE Cc1ccc(NCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 1597169729 WXGBAGVJVCEJRT-UHFFFAOYSA-N 427.530 1.891 30 10 IDEE CS(=O)(=O)C1CCC(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1597914415 GAILDZZPQFFHFK-VMWRSERWSA-N 446.529 1.483 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)s1 1610971204 FSTXPPZUDLIDKO-KRWDZBQOSA-N 447.582 1.920 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@H]3NC(=O)CC[C@@H]3C2)n1Cc1ccc(C#N)o1 1613545100 AXVASMVSPRPBJI-CXAGYDPISA-N 425.493 1.424 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)cc3F)CC2)cc1 1616832784 KXTVKZMHIITZAV-UHFFFAOYSA-N 446.504 1.588 30 10 IDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCN(S(C)(=O)=O)C1 1624836829 UHYHJLIVESECFK-FZTQNYJHSA-N 440.566 1.266 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)n[nH]2)c1C 1626323315 ZXFOLNKJQPFRPR-UHFFFAOYSA-N 435.488 1.775 30 10 IDEE Cn1cc(C[C@@H](CO)NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1630356502 KDUZGTVNSFANAD-ICSRJNTNSA-N 439.516 1.846 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)C2)c(=O)nc1O 1633658554 AFDRNCZAEPTYHD-LBPRGKRZSA-N 432.843 1.458 30 10 IDEE C#CCCN1CCC(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1634350442 BXNKBPVEVJSAIV-UHFFFAOYSA-N 435.546 1.120 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)CSc2ccc(C#N)cc2)C1 1634387027 VZRIXSPLOXVORR-UHFFFAOYSA-N 430.530 1.988 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCCCC3=O)CC2)s1 1635529295 RKXCNYFCTHINPM-UHFFFAOYSA-N 425.576 1.758 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCCC2=O)CC1 1637985374 VARWALLCTBZTFU-MRXNPFEDSA-N 432.546 1.509 30 10 IDEE CSCc1n[nH]c(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1638518357 JCTPNLYAYHURRL-ZDUSSCGKSA-N 436.563 1.437 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)C2)c(=O)nc1O 1640637214 VWXVNHUROHXHQH-UHFFFAOYSA-N 430.346 1.722 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)OC)c1 1640716005 REEDZKHDVUBQRS-HXUWFJFHSA-N 427.478 1.929 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 1644125749 PGVRABNZSYRVCZ-YTFSRNRJSA-N 438.503 1.659 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](CO)Cc2cccc(F)c21 1644197116 JMJHLBQTPXPZLZ-CQSZACIVSA-N 431.489 1.842 30 10 IDEE N#Cc1cn(CCC(=O)NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)c(=O)nc1O 1648414976 XOVDZTKAJZMBQN-UHFFFAOYSA-N 436.390 1.352 30 10 IDEE COCCN(C)CCN1C[C@@H](Nc2c(C#N)cnc3c(OC)cc(OC)cc23)CC1=O 1651961174 IDTVXZAJBXDJKR-INIZCTEOSA-N 427.505 1.715 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1653697775 FEQNAAUQNSORQH-KRWDZBQOSA-N 437.518 1.162 30 10 IDEE COc1cc(CN2CCN3[C@@H](CNS3(=O)=O)C2)ccc1OCc1cccc(C#N)c1 1655680395 DUPNCENWKQCUFZ-IBGZPJMESA-N 428.514 1.480 30 10 IDEE Cn1ncc(I)c1CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 1655972595 CDKBVYWWFGQXCL-INIZCTEOSA-N 435.225 1.864 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c(=O)n1C1CC1 1656801437 HLKYNESYKLXEQK-GJZGRUSLSA-N 437.500 1.777 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 1664903790 JEYQNXOBVAHSSH-UHFFFAOYSA-N 444.307 1.997 30 10 IDEE C=CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H](C)COC 1675971873 MWIUNFHKWZFPNI-JKSUJKDBSA-N 433.571 1.643 30 10 IDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1681012355 GHDBDQXTISBDBR-IBGZPJMESA-N 448.593 1.989 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2(OC)CCOC2)c1 1689872141 PJLBUCLKEBAJBA-MBSDFSHPSA-N 439.516 1.644 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689984823 VZPDOISGSMCRHB-GCJKJVERSA-N 446.573 1.987 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689993532 GEZPEXOYTLBNRN-WMZOPIPTSA-N 449.602 1.687 30 10 IDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690483451 PLVNXOMFERWBAG-QGZVFWFLSA-N 449.581 1.301 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1690528269 YRTOCXQUSOWPKX-CQSZACIVSA-N 426.568 1.323 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705539183 LLUHYMAUPKAPAE-AUSIDOKSSA-N 444.580 1.926 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)NC1CC1 1705580696 MVLRHNPHSVVTLF-UHFFFAOYSA-N 429.484 1.726 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1705695166 ADNNVZCJBZSXLK-NCOADZHNSA-N 427.571 1.485 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705897537 NTSNOTKOQBPDMX-INIZCTEOSA-N 428.541 1.609 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1706069300 ACEMSXFYKOHAAA-LSDHHAIUSA-N 434.566 1.760 30 10 IDEE Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1707604579 WURAPYBTBBCJAU-SMSQPADPSA-N 425.468 1.969 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1711397923 HSPMLPQDWUBGRB-UHFFFAOYSA-N 449.540 1.977 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(COC)CCOCC1 1712640029 SXMQXQUTHOENLP-XGHQBKJUSA-N 437.516 1.887 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2=CCCOC2)CCO1 1712883500 QOJVAIDDKJYUNV-SFHVURJKSA-N 442.907 1.937 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cc(C)nn2C)c1 1722305170 FDGRVFAXYQBREP-UHFFFAOYSA-N 448.531 1.563 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1722367966 PEGCFCKIWOQUPS-HXUWFJFHSA-N 438.557 1.896 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1722380129 FCKFBQGBDCIBGC-MZNJEOGPSA-N 446.511 1.288 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1722380803 YXFKDSPGLPYNFQ-YTTGMZPUSA-N 448.552 1.566 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722557354 WOZRTZRAPSTEBV-MRXNPFEDSA-N 449.943 1.982 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722604156 VCXAVAFDGQYBQO-IKGGRYGDSA-N 427.571 1.174 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722671594 YKAJNHCVQRRCAU-HUUCEWRRSA-N 428.459 1.671 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1722681898 VFKJWUXUPPERLE-MRXNPFEDSA-N 436.534 1.582 30 10 IDEE C=CCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722690253 CLAIJCQTUSHLRW-QFBILLFUSA-N 427.571 1.270 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(CC(=O)NC)CC1 1722706039 LTAZUTVJTRYMAO-UHFFFAOYSA-N 444.511 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2nccs2)C1 1722725288 IHJPIAOELNJLCX-MRXNPFEDSA-N 448.574 1.919 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723643694 QBNHKCZWWBLDKT-MRCUWXFGSA-N 443.552 1.498 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1723946434 XTBDZAAPMULIRD-VHKYSDTDSA-N 449.581 1.029 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)CC 1727204249 BZBMZRPIBILDIY-JOCHJYFZSA-N 441.536 1.892 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1729350713 AAGBIHNMIGKFGH-YLJYHZDGSA-N 431.518 1.246 30 10 IDEE COc1ccc(COCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1730173198 BVFMDEABTVEVHB-DYESRHJHSA-N 428.468 1.897 30 10 IDEE COC[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730453083 DXHSJRLFKWSKJB-ZWKOTPCHSA-N 447.547 1.923 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCNc2ccccn2)cc1 1731181319 ACKFFWIAZXIMHS-GOSISDBHSA-N 446.515 1.938 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOCC2)CCO1 1731185859 GLUUTYJXFUJHGQ-GOSISDBHSA-N 427.465 1.304 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1740551797 LXEWLAAYGCBNLB-XKGZKEIXSA-N 445.589 1.950 30 10 IDEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740578433 IPTRUUHVRRKXEK-AVRDEDQJSA-N 430.553 1.678 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@@H](C)C1 1740602910 ZKABQYKCSYDWDS-GOSISDBHSA-N 444.605 1.997 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740624521 JMLFJPQTMPJLIJ-ROUUACIJSA-N 432.546 1.561 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740624746 AKHVISVIMNUMAX-MSOLQXFVSA-N 436.578 1.963 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncccc2C)CC1 1740698987 RVXFMJXYOYPPMI-UHFFFAOYSA-N 435.557 1.777 30 10 IDEE C#CCSCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740724251 ZOXRCODGBVPJOT-GHTZIAJQSA-N 435.594 1.206 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1740733761 LIHJKGXVRAGIKL-JOCHJYFZSA-N 428.537 1.871 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC)C1CC1 1740910112 JSVMKHHAGFRBTH-HNNXBMFYSA-N 429.612 1.907 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1)C1CC1 1740910963 VEHWISKXIVJKHU-OAHLLOKOSA-N 431.509 1.811 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740955855 BOFWTJSLJXNGKK-INIZCTEOSA-N 446.577 1.280 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740957256 HMPXBNMIZPQVPT-UHFFFAOYSA-N 426.912 1.950 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1740972663 KYCDWARJQCQXDF-HLIPFELVSA-N 440.566 1.146 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](COC(C)C)C1 1740989778 XVWVJGBKTFFWDR-QGZVFWFLSA-N 437.566 1.515 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C#N 1741131104 DEAVTCNCTCCMEQ-YJBOKZPZSA-N 448.549 1.714 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1741727539 LBXOGMZDLNNTII-YADHBBJMSA-N 430.553 1.975 30 10 IDEE Cc1ccc(OCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1742285467 CBHPEGVOGLPCEO-MJGOQNOKSA-N 445.545 1.687 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCS(C)(=O)=O)n1 1742704431 SHYBGDLYHZGESK-FQEVSTJZSA-N 449.581 1.331 30 10 IDEE CCOCc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1747174165 AOTLSXQADCAQPS-RFGMHMOMSA-N 430.509 1.346 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1747433922 ZTPDSVPNVYCWDZ-UHFFFAOYSA-N 441.517 1.697 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nncn1C 1748006557 NDTDFJKWKCJNBT-INIZCTEOSA-N 434.277 1.665 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N2CCOCC2)CCSC1 1748689548 CUWXONYPOOQTIJ-OZIGNCPNSA-N 449.621 1.668 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1748709228 RFEWPNXZXODADQ-UHFFFAOYSA-N 445.545 1.601 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748815490 QUBYNRTUVSRANA-CABCVRRESA-N 436.563 1.355 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1748868536 YRRSLULAXXQDCN-DEOSSOPVSA-N 435.528 1.929 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1748999001 FGHNJQZEOVWHRU-RBBKRZOGSA-N 439.560 1.972 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1749126532 DGLHCMBMIDGGKF-QKLQHJQFSA-N 430.553 1.659 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(O)c2)CC1 1749303683 NGPNFMOAUKELLC-SFHVURJKSA-N 433.534 1.521 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749450544 LBFFHBMBHQNUIU-WMZOPIPTSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749672541 XHILTVMFQUFZHN-QGZVFWFLSA-N 440.523 1.805 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1751173590 KMUQGKLDJMEQTH-ZDUSSCGKSA-N 427.477 1.968 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1760116911 LCJOJQMYJOBKCQ-DVSDUFGPSA-N 449.552 1.584 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2ccn(C)n2)c1 1760128267 DBBYRTVFPITSGA-GOSISDBHSA-N 433.516 1.814 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1760295055 MQRKGPLWTKXBBC-WIYYLYMNSA-N 445.545 1.674 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1760569183 GDQGAVMGHURHRO-UHFFFAOYSA-N 445.593 1.938 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1765634249 VKXXANYOMVNMBU-HXUWFJFHSA-N 435.532 1.420 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1)S(C)(=O)=O 1766867598 RCUAJRBKJFZXRD-SFHVURJKSA-N 432.550 1.713 30 10 IDEE CN1C[C@@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)C1=O 1767507514 ILXJPWUQRYTTHW-NRFANRHFSA-N 441.561 1.878 30 10 IDEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1769713375 RHQOSPCTOIYWBD-UHFFFAOYSA-N 441.511 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1772660142 FTSIYSRGTPGPNW-QFBILLFUSA-N 445.545 1.658 30 10 IDEE Cc1ccc(-n2c(C)nn([C@H](C)C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2=O)cc1 1851176649 UVTXDXTUFYVJLF-MRXNPFEDSA-N 432.488 1.222 30 10 IDEE C[C@@H](CCC#N)N1CCC([C@H]2CC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1853944158 YUFWHRLWFJNKKR-RDJZCZTQSA-N 436.578 1.190 30 10 IDEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854693632 FOGBBUMQUZWFBC-MNOVXSKESA-N 434.301 1.673 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1 1855698066 KSYSIUGXPLBLRP-MAUKXSAKSA-N 436.509 1.199 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN1CCCC1=O 1856998818 NLGYDPFBJGOIPD-MRXNPFEDSA-N 431.514 1.454 30 10 IDEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)cc1 1857163960 XKICQSJKKNLIEU-UHFFFAOYSA-N 426.498 1.855 30 10 IDEE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)Nc3cccc(C#N)c3)cc2C1=O 1866618345 IKZXTQDJXKVFMO-HXUWFJFHSA-N 448.479 1.930 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1 1869025781 AQAAYAFEIZIZDD-MRXNPFEDSA-N 425.526 1.930 30 10 IDEE CN(C)CC#C[C@H]1CCCN1C(=O)CN(C)c1nc2c(S(C)(=O)=O)cccc2s1 1890866336 KOMXKJNUGSDGME-HNNXBMFYSA-N 434.587 1.692 30 10 IDEE C=CCNCC(=O)Nc1c(I)ncnc1I 1983726960 MQHGEEBBNZACKD-UHFFFAOYSA-N 444.014 1.400 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@@H](O)C1 2010514010 USDXRZYWBHTFQZ-SLFFLAALSA-N 428.533 1.841 30 10 IDEE N#Cc1c(F)cc(Br)cc1N1C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C1 2174809787 DPKRUBJDGFFPGY-IONNQARKSA-N 437.191 1.819 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2232272491 CHEBUKHUFVNGPO-JOCHJYFZSA-N 449.357 1.473 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1(C)CC1 2248446067 VKNLZWZTFUZVNA-NSHDSACASA-N 438.359 1.891 30 10 IDEE C=C(CS(=O)(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2248583227 VZNOQOHUOMGMKE-QGZVFWFLSA-N 438.355 1.679 30 10 IDEE Cn1ncc(C(=O)NC2CC(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255544638 CHJBZRBJTLNJJQ-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255629664 ZLPJJCFZNNENPG-KGLIPLIRSA-N 434.346 1.942 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255652324 SIFMEOIFJCBGDY-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](COCc2ccccc2)C1 2255876453 MURKNODUQSOIKX-QGZVFWFLSA-N 426.326 1.793 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2256062148 QRBHLEOPGLDZOT-KBPBESRZSA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063456 VVGTWXLOSBJNNP-KBPBESRZSA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2)C1 2256795242 QUNUQZKDYRZPPA-FQEVSTJZSA-N 439.560 1.774 30 10 IDEE Cn1cc(C(=O)NC[C@H]2COCCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267121183 VAOMCKWGDONVOL-SFHVURJKSA-N 440.353 1.350 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1NC(=O)C(F)(F)F 2267126442 AWIRGCSAHSNJSY-YPMHNXCESA-N 444.263 1.248 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CC(NC(=O)OC(C)(C)C)C1 2267265809 KWHFJNSZJBVNHZ-UHFFFAOYSA-N 449.361 1.538 30 10 IDEE Cn1nc(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267536634 KXJJPYXMAAQZFE-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267586887 QCSTWFCNEMBCOA-GDBMZVCRSA-N 447.341 1.338 30 10 IDEE C=CCN(CC(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270539915 LCKWLTBPBDGRTE-CQSZACIVSA-N 438.424 1.835 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)NCc1cccc(C#N)c1)NC(=O)OCc1ccccc1 2286035742 BRZKZRNHYQHONS-SFHVURJKSA-N 431.470 1.446 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297736428 ADHLLVLYTWRLEA-HUDJVWMTSA-N 447.572 1.762 30 10 IDEE COc1ccc(C#N)cc1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 64743251 LXDHYBOVSDXWPZ-UHFFFAOYSA-N 436.515 1.971 30 10 IDEE Cn1c(=O)c2c(nc(NN=C/C=C(/Br)c3ccccc3)n2CCO)n(C)c1=O 254628792 IWQCAKZZIHMJDB-KSCQIFEYSA-N 447.293 1.260 30 10 IDEE CCN1CC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)[C@H]1c1cc(F)c(F)c(F)c1 409511308 WNTTXUOOVIMXMX-SJLPKXTDSA-N 434.484 1.936 30 10 IDEE N#CC1(CS(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCCC1 433459404 XUKUBXFRDDZKTD-GOSISDBHSA-N 437.537 1.847 30 10 IDEE C=CCN(C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)c1nc(C(=O)OCC)cs1 440048949 ILAIMDWRPJNAFC-UHFFFAOYSA-N 443.485 1.407 30 10 IDEE Cc1nnc(Cn2c(=CC(=O)C3CC3)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)s1 447415918 CJDRSUGIALDRBR-UHFFFAOYSA-N 444.488 1.856 30 10 IDEE COc1ccc(C[C@@H](C)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1OC 460611740 LJWVXMKKGNMGKM-OAHLLOKOSA-N 448.483 2.151 30 10 IDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 460810933 JRYJKIAGPSRSAE-WOJBJXKFSA-N 427.549 1.920 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)ccc1Cl 473440765 DFCGYBVMYORVLV-SJORKVTESA-N 433.873 1.917 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)n1 477636322 QPHOAYQKYIWILA-UHFFFAOYSA-N 446.532 1.783 30 10 IDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489428691 AWCPIQGMRCUYSW-QGZVFWFLSA-N 428.514 1.871 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506641540 GFYRXJLUFMVJRM-VQTJNVASSA-N 428.581 1.431 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 536003995 UMHYACLBDBVBPK-UHFFFAOYSA-N 438.294 1.336 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCCC1 544746856 ZZVWVVKFLZKQMS-UHFFFAOYSA-N 437.587 1.895 30 10 IDEE CCSc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c1 545313249 GZHWQRCMKRTPQQ-UHFFFAOYSA-N 427.551 1.379 30 10 IDEE COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 545504199 CNXZLBVEFCHZME-GOSISDBHSA-N 426.473 1.310 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC2)n1 546169943 UZGFBWSIRSUJPD-UHFFFAOYSA-N 439.277 1.654 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)CC2)n1 546196906 ADZUDJMXGGLOBF-JOCHJYFZSA-N 444.495 1.078 30 10 IDEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1c(Br)cc(Cl)cc1C#N)C2 557659820 XGOWQADNDGXUHG-UHFFFAOYSA-N 439.701 1.441 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 558776149 BAKHPPMNVYNEPU-UHFFFAOYSA-N 448.364 1.509 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)c(F)c1 586864938 SNEOCSRYWANGLR-UHFFFAOYSA-N 430.461 1.170 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C 590943068 BUDZUCHBBWLLJF-KRWDZBQOSA-N 433.533 1.862 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)cc1 607002557 AFBOBMBYYBOQLJ-UHFFFAOYSA-N 448.527 1.968 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)c1 609686087 IOKZNSCEEXMLGD-UHFFFAOYSA-N 444.488 1.768 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1-c1ccccc1C#N 618639203 VIURYKOQNPPRFK-UHFFFAOYSA-N 437.484 1.568 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 685550928 XVSKHKCCZMPJLK-DOTOQJQBSA-N 435.554 1.044 30 10 IDEE Cc1cccc(N2CCN(CCCNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1 732445161 GRKWUDGLTSEXLZ-QURGRASLSA-N 440.548 1.333 30 10 IDEE COCCN1CCC[C@H]1CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 732466823 PWYLATLRKZBAMZ-BUVGWWEQSA-N 437.566 1.732 30 10 IDEE COc1cc(N2C[C@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2=O)cc(OC)c1OC 732648932 WSGQSKGGNPDMCK-PBHICJAKSA-N 428.489 1.264 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3cccs3)c2=O)cn1 735069349 SNQNNSYETCEUPS-UHFFFAOYSA-N 441.582 1.654 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 735116255 FKFCIEKCCHBGND-BMRADRMJSA-N 435.362 1.853 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)cc1C#N 774867478 XZBRMLRQBWQHLU-GOSISDBHSA-N 440.500 1.619 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccccc4OCC#N)CC3)C2=O)n(C)n1 780566327 PZGGOLFSIHEMDB-IBGZPJMESA-N 436.516 1.584 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2)CC1 793151122 VUMXOTMXMBQMRY-QGZVFWFLSA-N 427.505 1.885 30 10 IDEE COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802476595 UDBAJRQORXGEKQ-QGZVFWFLSA-N 442.520 1.794 30 10 IDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 802540076 OFNJNUQRZZRYML-LAUBAEHRSA-N 437.548 1.452 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 804455577 XRNRTXPGABXEKL-IBGZPJMESA-N 428.510 1.892 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 806217934 NSEIZRSXWVXVEX-RTAFMGCNSA-N 434.518 1.711 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1C 807930086 PPQAKXDOPALAPB-GOSISDBHSA-N 443.577 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)[C@H](C(F)F)C1 808760157 BYTZODAJPBIOJM-AWEZNQCLSA-N 430.477 1.913 30 10 IDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)c1ccc(Cl)cc1 810472221 GKMMVWFROXUHGJ-KRWDZBQOSA-N 427.844 1.672 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2nccc3sccc23)CC1 812037905 ANYUSMOJTYUZRS-ZPHPHTNESA-N 426.502 1.654 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812277596 WHENWDPSVRCRIQ-UHFFFAOYSA-N 436.484 1.490 30 10 IDEE CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)N1CCO[C@](C)(C#N)C1)n2CC(C)C 1134267855 LIIRFPNCKHVCAG-JOCHJYFZSA-N 444.536 1.828 30 10 IDEE CC1=C(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@H](C)n2nnnc2N1C 1136286899 KXRRNCMLRDLCLM-UAHGDZPKSA-N 444.521 1.409 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)c1 1137321950 LDZVYPRKYDZBMV-INIZCTEOSA-N 437.399 1.936 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](c4cc(O)n[nH]4)C3)CC2)cc1 1144503391 VZTUSUPUTQZVAH-INIZCTEOSA-N 429.502 1.404 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)CC2)o1 1146992791 CHBZJVMJSSOQPG-INIZCTEOSA-N 445.520 1.966 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1151985622 HWXBNZZNJHYICI-QGZVFWFLSA-N 431.917 1.783 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)[C@H](CC(=O)N1CCC[C@](C)(C#N)C1)CS2(=O)=O 1152085860 RXKUTODMUQLNIR-UIVXKWKOSA-N 425.551 1.809 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)=NO2)C1 1154223315 HIUGYNOPBJJLEB-UHFFFAOYSA-N 426.477 1.368 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)C(=O)OC(C)(C)C)CC3)CC2)o1 1164271232 YETOBSHYTWNUGR-UHFFFAOYSA-N 431.493 1.084 30 10 IDEE CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1178757175 LCWSTWBZJVDTEZ-OPOADAIRSA-N 437.562 1.666 30 10 IDEE C=CCC1(O)CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CC1 1223902494 RVKIZLZKVNXAEX-IBGZPJMESA-N 431.533 1.973 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286313498 AYQHSFZLKANQHF-CVEARBPZSA-N 445.611 1.095 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Br)cn1 1286359243 UNNWNUDHQBDBPQ-UHFFFAOYSA-N 429.282 1.654 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1286431477 OASSNOBLCQFPGA-HXUWFJFHSA-N 435.528 1.760 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)CC 1286431488 OGSXPFOPWJCHOR-WJOKGBTCSA-N 439.589 1.684 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286515411 YLZBDROSAYOOQH-BBWFWOEESA-N 442.607 1.382 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1286805109 QTRNGDXIRIGLCA-OXJNMPFZSA-N 440.566 1.289 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H](C)N(C)C)C1 1286807710 FPYSGIMXMFVYMU-IRXDYDNUSA-N 437.548 1.923 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCOCC2)C1 1286811762 HTZAENCVWYXLRI-WOJBJXKFSA-N 446.596 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286821575 PMJYBMQRMCMGOU-SFHVURJKSA-N 436.582 1.488 30 10 IDEE C=CCOc1ccc(CC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1 1294117220 IHMYTOWSOLRNTJ-UHFFFAOYSA-N 436.468 1.926 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1295174755 QWAQYLZVZNZORC-RXVVDRJESA-N 445.545 1.636 30 10 IDEE C=CC[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C(=O)OCC 1296236575 MKRJDTVTXMZKOV-UGUYLWEFSA-N 444.550 1.281 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1300288430 AYGOGBWDPZTOLH-HNNXBMFYSA-N 448.545 1.360 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1300348947 UBALBSMQYHTSOX-SFHVURJKSA-N 433.520 1.687 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1300487692 LIQBOPDVNLPCDM-INIZCTEOSA-N 425.518 1.241 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1300539019 WQOUOFGZCAGVMK-FQEVSTJZSA-N 425.558 1.385 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1300578221 JMAPZZZYONNFCY-GOSISDBHSA-N 439.541 1.672 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1 1300635087 CDHQCFQOPCHHNW-UHFFFAOYSA-N 430.534 1.011 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C(CC)CC)no2)CC1 1300698155 OTNDBFOIPPDKSP-GOSISDBHSA-N 425.537 1.924 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1300915647 PPCTVPGZSRUXLM-FUHWJXTLSA-N 440.614 1.496 30 10 IDEE N#Cc1cccc(C2(NC(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CCOCC2)c1 1300992124 MJUMWFNTCWIVFO-UHFFFAOYSA-N 428.510 1.689 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1301340168 WCZFDKZVKWZGIE-GOSISDBHSA-N 442.545 1.728 30 10 IDEE CSCCCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1302782211 DPRZRBWCHQJFNE-HTXNQAPBSA-N 429.550 1.999 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccsc2Br)CCO1 1303003273 DOCVJKPHQPUPNY-RYUDHWBXSA-N 437.323 1.830 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1303228734 PVFROXCQFVWHGO-JROKQLJMSA-N 444.536 1.560 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1303410892 BDBYQDXFHOMRDB-HZPDHXFCSA-N 447.540 1.545 30 10 IDEE N#C[C@]12CN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1312441449 CVGGTSJLHSLWHC-GEWABHDNSA-N 440.884 1.164 30 10 IDEE COCCOC1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCOCC1 1312728150 MQJCEUMGLQEDPL-UHFFFAOYSA-N 433.509 1.467 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)C[C@H]1O 1315108733 MBCGUIXMUWJCBT-IEBWSBKVSA-N 435.488 1.153 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1358939280 UCUQVACBTBFNMO-NSHDSACASA-N 446.364 1.772 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358939910 JOQWEFRJLREKEQ-QHCPKHFHSA-N 440.548 1.668 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1358962470 QIXHJEVPGVVLFP-ROUUACIJSA-N 429.546 1.551 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1358977126 DAIIGDXTFNQRLM-GOSISDBHSA-N 425.514 1.166 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1 1358984366 RSLLRWPWMZWFEF-UHFFFAOYSA-N 449.502 1.808 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(O)CCC1 1359015448 TVZYQIAHJNMJNR-INIZCTEOSA-N 449.552 1.972 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC 1359099461 OCQHTTDUWLTPMB-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1359149106 NNOPGFDHHJISHS-UHFFFAOYSA-N 442.929 1.230 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359303332 KNHZFBFKUIEIPY-VQTJNVASSA-N 436.560 1.813 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC)C1 1359321897 NHHCPXIILYFEGM-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)C1 1359336464 QQNOLAQXUUWWFV-NVXWUHKLSA-N 439.582 1.076 30 10 IDEE C=CCNc1ncc(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)s1 1441432863 IBKBEDXWACIHMF-UHFFFAOYSA-N 428.474 1.874 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1444065589 KHLMAONUEIKKDO-CQSZACIVSA-N 441.916 1.716 30 10 IDEE C=CCCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OC 1455837228 QDOGIHPBWNMZRV-CQSZACIVSA-N 425.438 1.810 30 10 IDEE N#Cc1cc(F)c(OC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(Br)c1 1461774101 DUYONSPRMONVRY-GBOPCIDUSA-N 437.221 1.918 30 10 IDEE C=C(CO)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1463617521 JAXMZFBKLWCBPS-UHFFFAOYSA-N 447.513 1.820 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN([C@H]4CCN(C)C4=O)CC3)n[nH]2)c1C 1467863477 KWSAHZYCNNLYOX-IBGZPJMESA-N 425.537 1.501 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(c4nccnn4)CC3)C2)C1 1470443444 ZDENPENOZBVLKX-ZGOJQLDESA-N 427.509 1.307 30 10 IDEE N#Cc1cn(CCNC(=O)NCc2cc(F)c(Br)cc2F)c(=O)nc1O 1470985690 DZDPDOFDRZMYPY-UHFFFAOYSA-N 428.193 1.361 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 1471451215 PYRPQWVIPVCUIC-UHFFFAOYSA-N 430.964 1.750 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1471528139 GKXVBLRLIMWSBW-IAGOWNOFSA-N 427.567 1.998 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1494699734 VTSYCNSGJWGZSK-AMGRQBIBSA-N 443.552 1.597 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1499162644 SZYMXGBTKWBWCO-KRWDZBQOSA-N 429.550 1.401 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCO)c(OC)c1 1507511954 BADOIEUFSWFGAA-INIZCTEOSA-N 427.505 1.400 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1507538044 KFYMKMCUGNJGEZ-ARFHVFGLSA-N 432.525 1.323 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCCC 1507636325 CHQUPNGDFFDNMG-UHFFFAOYSA-N 426.908 1.461 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1507673391 SNGPBWJVNCZZSX-UHFFFAOYSA-N 440.569 1.466 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1507680118 XUZKALGTKBDLNT-HNNXBMFYSA-N 447.565 1.490 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ncccc1Cl 1507702836 MQLKFKDZRKXQPC-UHFFFAOYSA-N 432.912 1.728 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507824491 AKNMLORCSWFVHA-INIZCTEOSA-N 430.534 1.481 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1508071892 NHDOHIMTRVOSML-IEBWSBKVSA-N 438.532 1.783 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1508079293 QFVJOAZGRCOTKI-IAGOWNOFSA-N 440.548 1.937 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1508088309 GAVKPMPQXLMCCI-OALUTQOASA-N 443.552 1.193 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@](C)=O)CC2)C1 1508111517 ZJDUKQZFWTZQGQ-FOGNVHKLSA-N 430.534 1.618 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCOC2)C1 1508112740 BXXRVTOENAYAST-KDOFPFPSSA-N 438.326 1.968 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1519400957 DITZDRAAVFJJJJ-NRFANRHFSA-N 440.548 1.781 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H]1c1nccn1C 1528575827 MMUBELBHZIUDGS-OALUTQOASA-N 437.435 1.544 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1533234958 UDZIDZXQOIYNDJ-LJQANCHMSA-N 442.541 1.891 30 10 IDEE C#C[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccc(Br)cc1 1535484036 VLYPFFHNTSXURJ-DBXHJTGRSA-N 431.286 1.792 30 10 IDEE Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1538765194 FZKRRNLPMPFCBY-ZUZCIYMTSA-N 428.264 1.676 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCOC2)n1 1539424581 SYGPYSYNGHISAT-PKOBYXMFSA-N 441.536 1.139 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCCNS(C)(=O)=O 1539541117 ZXIQKJCNDUSTQB-OAQYLSRUSA-N 447.561 1.894 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1539574076 GUZFQTOSVADRDG-UHFFFAOYSA-N 437.346 1.385 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539804726 ZLCKAPKVVPYCTC-QXSJWSMHSA-N 445.973 1.225 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1540880241 BAJACQZZTUYJLN-QZTJIDSGSA-N 443.529 1.522 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNS(C)(=O)=O)C1 1540889060 DMJYKGUOUOVPOB-INIZCTEOSA-N 444.561 1.767 30 10 IDEE Cc1cn2nc(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)cc2c(=O)[nH]1 1543124757 TUJKDTUYQKFROM-QJOMJCCJSA-N 428.474 1.396 30 10 IDEE COCCN(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1555521989 MZBWXRRSHPHMAF-UHFFFAOYSA-N 449.563 1.835 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1555802983 AZFARDZUDCHZTQ-GOSISDBHSA-N 440.533 1.684 30 10 IDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 1557708522 SSBMMTFWLGQVGR-OAHLLOKOSA-N 426.477 1.987 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)C2)c1 1557719129 PPNDKTAIFWTKNH-UHFFFAOYSA-N 444.488 1.655 30 10 IDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1587758655 FUYSRGBQADCACQ-IAGOWNOFSA-N 426.525 1.855 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1587988862 CUVDHUKUKSOXOU-KRWDZBQOSA-N 449.577 1.817 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588065389 XWTAMJCSJVFKHM-VQTJNVASSA-N 443.573 1.850 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OC)c2)CC1 1588884497 CDWQCBNHBQOJJE-UHFFFAOYSA-N 438.532 1.439 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccccc2)CC1 1588923478 APFNFBGDNDQJJY-DEOSSOPVSA-N 447.543 1.552 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCOCC)CC1 1588947334 OEIUZRYTXSWBDF-UHFFFAOYSA-N 425.533 1.880 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(N)=O)c1 1589150455 GBZVLMWYNNHPIT-YCRPNKLZSA-N 444.561 1.222 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1589571613 ZNLKHKMJICEYQP-HNAYVOBHSA-N 444.561 1.577 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1595386779 FYPFZBRHDLFOFN-UHFFFAOYSA-N 434.570 1.410 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCSC[C@@H]1C 1595536903 IJURSWIBWCICDV-AWEZNQCLSA-N 439.545 1.436 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1595759319 DJXQIXQEJXSJDU-QGZVFWFLSA-N 443.577 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 1596924557 FXFMXDWOKOYJNT-UHFFFAOYSA-N 437.456 1.775 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1610304536 FGPPENRBGYTQTJ-GOSISDBHSA-N 432.550 1.618 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@H]([C@H]2CCCO2)C1 1611057559 ZPCFOGGBKRPOHP-IZBJGVDFSA-N 425.485 1.870 30 10 IDEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1614276575 GVVCXZLUYFWPTF-AATRIKPKSA-N 435.532 1.956 30 10 IDEE CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617487934 SBFXIICBMFQZBR-MFCZKXCZSA-N 435.502 1.647 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1618347723 QCXKXPPQBXDWJC-NRFANRHFSA-N 442.545 1.308 30 10 IDEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1619244740 HSPWGRVIVRWYFW-GOSISDBHSA-N 440.504 1.503 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@H]2CCC3(CCOCC3)CO2)n1 1622096987 IVAWFOSWBHTYHT-LJQANCHMSA-N 425.551 1.270 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)COc1ccc(I)cc1 1631344482 OLRXMKDSYLRVAN-GOEBONIOSA-N 446.285 1.618 30 10 IDEE C#CCN(C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634813937 GOUDEYYVVVCIFI-FVCZOJIISA-N 441.528 1.655 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)cc1 1638427163 LDXZLLUMQOSCFV-ZDUSSCGKSA-N 433.511 1.585 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1S(=O)(=O)NCC#N 1643543889 DGNSHBQNFOMPKD-CQSZACIVSA-N 446.451 1.470 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1645002733 RZNMMNOHGFTAND-CQSZACIVSA-N 436.534 1.631 30 10 IDEE N#Cc1cn(CC(=O)NCCc2cnn(-c3ccccc3)c2)nc1I 1652060977 OCOGMSPKQHABCV-UHFFFAOYSA-N 446.252 1.904 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CCNC(=O)O3)CC2)CC1 1656323280 AEXJLBJYQPGWBB-LJQANCHMSA-N 429.496 1.499 30 10 IDEE COC(=O)C1(NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCS(=O)(=O)CC1 1668817055 ICTMUXKUYICBLR-UHFFFAOYSA-N 442.540 1.480 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc3ccccc3)CC1)C2 1675451769 YICBCFUCMVBKRP-OAQYLSRUSA-N 439.541 1.387 30 10 IDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1687074799 QSRDKVHOYMVUAW-UHFFFAOYSA-N 425.507 1.066 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1689852096 ADGFYGVZAGAHGB-MAUKXSAKSA-N 431.518 1.284 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689913216 JRYQESZZIAQETH-ZJOUEHCJSA-N 446.596 1.404 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689989904 JNSYWOYDYPGGOP-OALUTQOASA-N 446.577 1.742 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1689994295 VTTKMQIKSWBHJT-KRWDZBQOSA-N 445.545 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)C)C1 1690714504 NLXFNZFOIMRFKY-MRXNPFEDSA-N 448.549 1.387 30 10 IDEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)n1 1693320756 BZBXGPRNRSUPLZ-UHFFFAOYSA-N 443.558 1.712 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1693564634 ZTADGYGNVOWVML-MGPWXQLLSA-N 429.525 1.060 30 10 IDEE CCOC1CC(O)(Cn2c(N3CCC(CC#N)CC3)nnc2[C@@]2(OCC)CCOC2)C1 1696198136 AFWZOHMQCHOSJN-FQUBMZHMSA-N 433.553 1.990 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1696687916 DDXDXOHGQAGAFZ-OAQYLSRUSA-N 438.513 1.398 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1696915233 XQMIRCHAPJZJID-RHSMWYFYSA-N 448.474 1.971 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1697048402 DVZKVQLTQYHGPS-QGZVFWFLSA-N 438.532 1.927 30 10 IDEE CS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1698318321 XLYIPJFVXOIZCP-QRVBRYPASA-N 444.561 1.465 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1705485611 LXMXLHYYLOUXAT-OAHLLOKOSA-N 433.534 1.456 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOCC1 1705489634 SRZHHUZSJMXUGG-KRWDZBQOSA-N 445.593 1.418 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705567281 VITXSHRQGDFVHJ-RDGPPVDQSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1705586467 KKQGUGNKTRAIDX-HXUWFJFHSA-N 440.569 1.970 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1705610906 JQHJGLUIFRZVJG-GOSISDBHSA-N 449.559 1.620 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705881228 HFCAHHKHPXFNFS-HTAPYJJXSA-N 442.520 1.902 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705939353 CWVWMEHUDBMHMN-SFHVURJKSA-N 436.626 1.884 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1706852793 GSEMLZWOIIVCNJ-FOIQADDNSA-N 448.549 1.202 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCCO1 1708234141 ICLVCZZCRIHEHR-INIZCTEOSA-N 447.499 1.886 30 10 IDEE CCCN1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1709796981 WMUPFPMEQXHOBI-MRCUWXFGSA-N 441.536 1.206 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1709850668 WSDSZDFGVGDUQL-HKUYNNGSSA-N 437.548 1.928 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1710731178 JHGZNQYLEJFWCV-DLBZAZTESA-N 444.511 1.692 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1Cc1ccc(C#N)o1 1712573934 GLOJUPTVIWWUOX-VBQJREDUSA-N 430.465 1.450 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1712686104 FQILVQCQJDLCPX-SJLPKXTDSA-N 431.518 1.505 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722363697 UXSOTKORTQDBFR-LJQANCHMSA-N 444.557 1.503 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364376 ZICFYZOYPMASJK-KNQAVFIVSA-N 441.557 1.850 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1722475656 WRISOBDNPJQMES-ABSDTBQOSA-N 437.566 1.172 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722536905 IOSWNPUUNBSGCD-ZWKOTPCHSA-N 441.598 1.483 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722543575 RAKRDQGXTAGBRD-KRWDZBQOSA-N 440.976 1.499 30 10 IDEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1722679855 NYNDEKPPHCEFEF-OAHLLOKOSA-N 447.565 1.156 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CCC)C1 1722697480 LLMPLWMNRVYNRR-OAHLLOKOSA-N 437.504 1.901 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722699494 JCBUZWNKTOTPHM-HXUWFJFHSA-N 435.532 1.581 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722709286 MNVYSONQMBOZTK-OALUTQOASA-N 430.553 1.554 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(C)CN(C)C1=O 1727013483 UGWCLDAPSVCDTK-WJONJSRFSA-N 437.552 1.647 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1728690571 UXUVEOIKZMGFJZ-RYQLBKOJSA-N 448.524 1.777 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1729203093 QOHDGIVNVHXFCN-HXUWFJFHSA-N 444.517 1.282 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1730907944 CAZGFUBDCRFQIW-IRXDYDNUSA-N 426.477 1.031 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CCCC1 1730991276 CPGKBMHFSSWYLN-UHFFFAOYSA-N 442.545 1.500 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731187230 KNEWFXIKYLUDPR-CGTJXYLNSA-N 428.468 1.342 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740538025 JQDKOXMJDHQWEO-WMZHIEFXSA-N 432.613 1.803 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)C)c1 1740565711 ZYJPYRBJRGLSRP-UHFFFAOYSA-N 448.531 1.284 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740580595 CRRBFPGREJALTA-LSDHHAIUSA-N 438.579 1.645 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1740620160 BWBVFLMFUJPQOA-ADKRDUOOSA-N 447.586 1.268 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740620519 PVHIGQSMDAKBRP-KRWDZBQOSA-N 445.545 1.105 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCOCC2)CC1 1740702670 VHTTUIATJLKSRI-KRWDZBQOSA-N 433.553 1.395 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740722180 FGANLAVTVARQFU-HNNXBMFYSA-N 438.550 1.986 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1740933195 JTYKLLJTPZINJR-OAQYLSRUSA-N 442.545 1.245 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1740963628 RFQQKYJSCOQHHL-SFHVURJKSA-N 440.548 1.739 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCS(C)(=O)=O)CCOC1 1741715234 AVAQSFGSAXSLRQ-OAQYLSRUSA-N 447.561 1.871 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1 1742906405 IJPJQFGCWYQWPW-PKOBYXMFSA-N 438.532 1.927 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1748830294 TZMBOIJPLGQAEV-XUZZJYLKSA-N 442.608 1.418 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1748841876 BJPKAPROLNGKMY-UHFFFAOYSA-N 426.484 1.355 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN(C(C)=O)C1 1748856022 QBNVSYZRSFGLJZ-SFHVURJKSA-N 438.557 1.601 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1748857867 GVJBGIAPYXTKGK-GOSISDBHSA-N 447.948 1.386 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1748930116 XTBBAWNVHONQPM-MRXNPFEDSA-N 425.518 1.269 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2conc2COC)CC1 1748999014 FUZMYUZBPXCPEI-UHFFFAOYSA-N 440.479 1.934 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1 1749652322 LJIJUCRQFFJHSP-HUUCEWRRSA-N 430.484 1.526 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)C1 1749711778 CEMIYLDFDVXULP-HZPDHXFCSA-N 449.581 1.356 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1750947962 BOYMPWKWLIGBHO-HXUWFJFHSA-N 448.524 1.722 30 10 IDEE Cc1noc(C)c1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1751952816 NGLHPYSBCLHGAP-UTKZUKDTSA-N 430.509 1.895 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1760184265 IFLVBIJRNJOPCY-SFHVURJKSA-N 429.546 1.406 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760189375 IHPTYZLBWUIJCN-NQIIRXRSSA-N 429.546 1.460 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760190144 YLWDKMNTAPDUBC-RTBURBONSA-N 444.557 1.660 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCOC1 1760216201 DWOLDKLUGNMRTJ-SFHVURJKSA-N 439.516 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(-n2cccn2)c1 1760221692 GXGWJPSOWLFQBE-UHFFFAOYSA-N 428.500 1.492 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H]2OC)CC1 1760265059 MPUFBGNMMCOSAQ-MOPGFXCFSA-N 442.564 1.295 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1760352037 NIASYFSLFSJIQT-AEFFLSMTSA-N 441.598 1.734 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1760453582 ASCKLYDQGCUFGC-UHFFFAOYSA-N 432.912 1.343 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1760460862 FMJYCCBQZMDINZ-HSZRJFAPSA-N 437.548 1.925 30 10 IDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1760514194 WWIQXKOXTTVMFC-IEBWSBKVSA-N 434.585 1.267 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1760522219 OEHXTWWJVLMBLX-HZPDHXFCSA-N 447.540 1.485 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCCCO 1761869811 VNSHIDOSUVVYEK-MRXNPFEDSA-N 430.557 1.431 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCN(C)C 1761883601 ANQUWRKAMNZSRV-QZTJIDSGSA-N 441.584 1.747 30 10 IDEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1762354497 AUCOMEOBUNGOSN-UHFFFAOYSA-N 448.531 1.883 30 10 IDEE CC1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1763015501 ASIYCHMAGRRPEV-DLBZAZTESA-N 425.603 1.749 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)CCN2C1=O 1766929840 JWNMAAONZNDEBG-INIZCTEOSA-N 425.493 1.852 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768320678 JAIOFFDYRULVKE-WJOKGBTCSA-N 437.529 1.952 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1cc(Cl)cn1 1771218473 CTHQXKWFBJBAIE-QAPCUYQASA-N 448.959 1.729 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(OC)ccc1OC 1771221636 AJOULTLMEGLYPL-YJBOKZPZSA-N 431.493 1.796 30 10 IDEE COC(=O)[C@H](CCC(=O)ON1C(=O)c2ccccc2C1=O)NC(=O)OCc1ccccc1 1772787640 OLZLRNGTRRCNCG-KRWDZBQOSA-N 440.408 1.989 30 10 IDEE CCOc1ccc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2CC)cc1 1852493431 UWCDIXDJQNNWQZ-UHFFFAOYSA-N 432.488 1.852 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@H](C(=O)Nc4ccc(C#N)cc4)C3)ccc21 1858415493 WHNJUDMEPDORLY-AWEZNQCLSA-N 426.454 1.652 30 10 IDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593088 DYYBYNBXOPAHOC-UHFFFAOYSA-N 443.552 1.577 30 10 IDEE Cn1c(=O)c2cc(C(=O)NCc3ccc(C#N)s3)n(Cc3ccccc3)c2n(C)c1=O 1889845650 HPPTURJAWJNQIF-UHFFFAOYSA-N 433.493 1.950 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@H](C(=O)N4CCOCC4)C3)n[nH]2)c1C 1891526966 GJAWGWORBXDNKK-KRWDZBQOSA-N 426.521 1.787 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCO[C@H](C(=O)N4CCCC4)C3)n[nH]2)c1C 1891527548 YGACGDFOXGMTLL-IBGZPJMESA-N 426.521 1.930 30 10 IDEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1902045012 DOGOQXZDNQPSOO-GJZGRUSLSA-N 426.514 1.888 30 10 IDEE O=C(O)[C@@H](CS)NS(=O)(=O)c1cc(Br)sc1Br 1995663732 CJWWLNKIYPMMFK-GSVOUGTGSA-N 425.145 1.934 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060622300 YMCLBFYHVPWCDB-PBHICJAKSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637982 QONIWIHZRLWEOL-ZIAGYGMSSA-N 434.302 1.085 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)c(F)c1Br 2174810854 QZTZPJRLNUIGJS-DTWKUNHWSA-N 437.191 1.819 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2255632755 QXDLJAOHTNGZOS-ZDUSSCGKSA-N 431.302 1.294 30 10 IDEE C=CC1(NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255650359 OQKJORJHLNTLHC-UHFFFAOYSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](C#N)C1 2255709546 XLTCGMRUDNJIDW-OAHLLOKOSA-N 430.314 1.899 30 10 IDEE CC1(C)OB(c2ccoc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255821532 DFBJNYNFLBQBNW-SFHVURJKSA-N 425.338 1.783 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2255826941 FMTAZDBFQCXYPQ-SNPRPXQTSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 2256624072 JKKIPQARPRBSJU-MRXNPFEDSA-N 432.326 1.761 30 10 IDEE CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](CNC(=O)OC(C)(C)C)C1 2267291383 PLGZYMFCGRVRKR-OAHLLOKOSA-N 449.357 1.860 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2267293296 ORYNTJYHGWPCKE-UHFFFAOYSA-N 449.313 1.031 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@@H]1NC(=O)C(F)(F)F 2267500842 PDWHFZVUSUQCGQ-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267548398 RKVTWANVZILIKD-UONOGXRCSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268709260 JZQUCPRWHGAWPO-CQSZACIVSA-N 448.329 1.478 30 10 IDEE C#CCOc1ccc(Br)cc1CNCC(CO)(CO)NC(=O)OC(C)(C)C 2286192584 AVXUACWVYHUTLO-UHFFFAOYSA-N 443.338 1.799 30 10 IDEE C=CC[C@]1(CO)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2287691321 AMGBQQADPANDFK-PXNSSMCTSA-N 440.518 1.346 30 10 IDEE Cc1cc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1C#CCO 2289570515 NQXXLTIEKYKFHW-UHFFFAOYSA-N 426.494 1.445 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2301660778 FSMPTFUGRHJJPE-LBPRGKRZSA-N 441.359 1.712 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303110099 XKNJJGSDRIKJSM-RBZFPXEDSA-N 425.335 1.840 30 10 IDEE C=CCNC(=O)N1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2cccc(OC)c2)C1 34692268 SINZNSIGMZKTIN-NRFANRHFSA-N 446.548 1.066 30 10 IDEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 103089210 PBOKUHSHROIFIQ-HWCXCKHPSA-N 436.468 1.990 30 10 IDEE C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCN(c2ncccc2C#N)CC1 105980127 MHMWRLKKQGXKJH-XMMPIXPASA-N 444.495 1.601 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 409790189 NWNIOOCPJQTZGQ-ZWNOBZJWSA-N 425.454 1.573 30 10 IDEE COCc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)no1 433875676 VGMZMDWAIXMUNG-CYBMUJFWSA-N 443.279 1.612 30 10 IDEE Cn1cc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C(F)(F)F)n1 439681230 AMRDHPWORDNYCT-AWEZNQCLSA-N 434.378 1.832 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 460802740 LBXPGJXKXAUNRV-VQIMIIECSA-N 427.571 1.583 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 461073506 IREQHDOCMMWCNU-LEWJYISDSA-N 449.559 1.739 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 461844638 TWNZTRWZNDHWRM-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)ccc21 472857699 JXDJWJQXPPLYCD-UHFFFAOYSA-N 449.515 1.187 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 476794985 QKZZOHNLJUXMFF-UHFFFAOYSA-N 437.331 1.943 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 481536850 USUGWIFOTXSCIX-QFBILLFUSA-N 429.498 1.531 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 481788652 ZVSIQDSNSFPPRP-MRXNPFEDSA-N 446.573 1.913 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN2CCOC[C@@H]2C1 508496232 CYRJDAWSTJCXSD-INIZCTEOSA-N 431.566 1.253 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 508860012 XXTIEOQBLJWWNF-FQEVSTJZSA-N 429.521 1.891 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508937777 ZZTZVDJHKOOBOE-OAQYLSRUSA-N 444.561 1.310 30 10 IDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c1 515687110 DNZXPDXEHYPJJL-UHFFFAOYSA-N 439.581 1.587 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)c1 540696126 JIGMGBUHXKNUNH-UHFFFAOYSA-N 446.532 1.737 30 10 IDEE CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542727922 KZLCAIKFIABAJE-UHFFFAOYSA-N 444.538 1.225 30 10 IDEE COc1cc(C#N)ccc1NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 545998665 DHUMTAPRKJEQIH-UHFFFAOYSA-N 428.470 1.362 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)CC1 571334167 LRZXXADDIBGLDM-UHFFFAOYSA-N 441.513 1.498 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@H]2CCCO2)n1 572903374 NOOAWULDFXTTQV-HXUWFJFHSA-N 447.547 1.912 30 10 IDEE CCNC(=O)COc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1OC 585710140 YYZYOUFDQVGFGA-UHFFFAOYSA-N 442.447 1.153 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1C[C@@H]1CCCO1 610487218 JGFPGICRPULONB-HYVNUMGLSA-N 441.553 1.833 30 10 IDEE C=C(COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)OCC 734029437 UEZMCUGCIMXOFH-UHFFFAOYSA-N 426.491 1.050 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CCOCC)c2=O)cn1 735068945 MWRREGLFMPLQTN-UHFFFAOYSA-N 436.537 1.939 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(O)nc3ccc(Br)cc23)CC1 737836533 RETGMEUKDAMLPX-UHFFFAOYSA-N 431.290 1.210 30 10 IDEE CCOc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 742693307 DESOKVRGZGHEPO-LBPRGKRZSA-N 430.486 1.640 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccccc3)c2=O)cn1 743725255 KYLWMLVPJRZPNU-UHFFFAOYSA-N 436.537 1.529 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 754390683 XEUQCXQKOPGZPK-INIZCTEOSA-N 436.534 1.635 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)C1=O 767531593 HHKBWYBZNQQJII-LJQANCHMSA-N 441.554 1.591 30 10 IDEE C#CCN(C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 774046832 OCXUXIYCCPGNAT-OAHLLOKOSA-N 430.490 1.203 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 781019471 JGQGEZKREXAIBP-GOTSBHOMSA-N 432.524 1.927 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 782757067 FERLACMUDRGXFZ-UHFFFAOYSA-N 440.481 1.604 30 10 IDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)NCc2cccc(C#N)c2)CCCC1 786293493 JBZJYSBTBMNSAU-UHFFFAOYSA-N 437.500 1.811 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@](C)(O)Cn2ccccc2=O)cc1 791128513 QLSDZBVOZKJISY-LCMCWVSWSA-N 432.502 1.051 30 10 IDEE CC[C@H](NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 795801674 BSOCLUZKMFRUJY-DNZUHHBVSA-N 426.926 1.815 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 803562283 TUUPYFHEOVBVON-UHFFFAOYSA-N 449.920 1.128 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 806348612 YIEGKLXMSDRAHC-MRXNPFEDSA-N 431.493 1.448 30 10 IDEE C#CCN1CCN(C(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CC1 810214354 WCOROOVTARHDMN-RPEUOYKBSA-N 429.520 1.243 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)c(OC)c1 1084037102 WWQVFQUFRKMJPI-UHFFFAOYSA-N 442.505 1.971 30 10 IDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)O2)CO1 1133891062 UYUMSQXUIBSTLH-ZWDAVXSWSA-N 447.557 1.802 30 10 IDEE CN(C)CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1137205372 YUBMZUOINVJVCC-SJORKVTESA-N 444.598 1.541 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 1137990665 BBTIPAVMNLYRRF-INIZCTEOSA-N 433.258 1.920 30 10 IDEE CCN1CCN([C@@H](C)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1144293492 KRDQSBGSBJIEJG-HNNXBMFYSA-N 434.382 1.899 30 10 IDEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(CNC(=O)OC(C)(C)C)n1C 1144429523 WECBHNFSUGAYGS-HTXNQAPBSA-N 431.493 1.614 30 10 IDEE Cn1nccc1[C@H](O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1148571948 DDVRHHGDGRAETL-HXUWFJFHSA-N 445.545 1.211 30 10 IDEE CC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)N1CCOCC1 1148891752 FNXBVCFKDVBDRD-INIZCTEOSA-N 435.322 1.511 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2cc(C)ccc2C)CC1 1152967590 MKBRCSWYMPJAMH-UHFFFAOYSA-N 439.537 1.760 30 10 IDEE COCC#CC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1167638760 GQPIPAPHVPQGTE-QGZVFWFLSA-N 431.537 1.823 30 10 IDEE N#Cc1cn(CCNC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c(=O)nc1O 1221457395 HFJXAPRCDFQIPU-UHFFFAOYSA-N 431.880 1.522 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1286274578 OLYGFJCXGXQXJU-UONOGXRCSA-N 442.586 1.650 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCOCC1 1286364759 IKQCQBAENNCNRW-UHFFFAOYSA-N 429.521 1.763 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnnn1CC1CC1 1286404544 SIQMKURHPQRIKN-UHFFFAOYSA-N 440.309 1.553 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnn(C)c2C)CC1 1286473043 HBUWNAOAEJBBDZ-UHFFFAOYSA-N 435.532 1.808 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1286509646 VKFREVASLBBOQK-SJORKVTESA-N 441.623 1.604 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286822722 ODTVHASYPZXAEL-LJQANCHMSA-N 441.561 1.940 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N(CC)CC)s1 1290408908 OEVAFVQPUMYHGS-AWEZNQCLSA-N 431.605 1.525 30 10 IDEE COCc1nc2n(n1)C[C@@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2 1294664521 GJVRQUKELKYSDJ-OJLPUSQMSA-N 444.536 1.642 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C[C@H]1C 1296009139 DRVHLJHYJBMZIV-SJORKVTESA-N 425.537 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(N2CCOCC2)n1 1300266717 ABPLJQHHMYIWTH-KRWDZBQOSA-N 439.564 1.934 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC[C@H](CO)O2)c1 1300333157 XPPMBUSOICZXFN-VQTJNVASSA-N 449.515 1.275 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CC1 1300439060 ZFWKEHWHZSWCPT-GDLZYMKVSA-N 434.591 1.527 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1300505129 XXQAEGULKZIVJB-LMNJBCLMSA-N 436.578 1.647 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300506420 SJILOGPRPPWHLO-MAUKXSAKSA-N 433.534 1.663 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CC1 1300603048 NLYFTPVCSKAJOZ-PMERELPUSA-N 448.618 1.917 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1300653360 KSKAQKXCLZNJKA-UGKGYDQZSA-N 448.564 1.948 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1300681558 UBSDSYQHOBVJOA-SFHVURJKSA-N 440.548 1.648 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1300701655 YFMKHKMAFYAEIL-UHFFFAOYSA-N 429.952 1.819 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1300707823 KXFPWRXBQVOHOV-NRFANRHFSA-N 436.516 1.289 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300755217 OQFKXOLOHADHBK-INIZCTEOSA-N 427.578 1.429 30 10 IDEE COC[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300991761 KLFDWPBAJLHWHW-XYJFISCASA-N 426.525 1.789 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)CNC(=O)C2 1301507985 CDOUEUHAQOMOKP-UHFFFAOYSA-N 429.550 1.043 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccc(C(F)F)n2)CC1 1303000266 CVMRXRLEXKTJOM-ZDUSSCGKSA-N 437.476 1.696 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1303460346 LDIMRLONCDWKFY-QGZVFWFLSA-N 441.536 1.332 30 10 IDEE N#C[C@@]12CN(c3ncnc4ccc(I)cc34)C[C@H]1CS(=O)(=O)C2 1307215606 OBWFVIMXCOYMOR-BONVTDFDSA-N 440.266 1.609 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1309760858 KBJUCPAEZJIDTB-KBPBESRZSA-N 440.946 1.616 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)CC1 1310591573 WYLVOUODGASXKR-AWEZNQCLSA-N 440.394 1.363 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)F)CC2)C1=O 1314921317 TYGPGQRSHXRJLP-OAQYLSRUSA-N 429.475 1.682 30 10 IDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1315262649 GUTHWRNKXLQSOQ-UHFFFAOYSA-N 436.472 1.863 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1316527162 HTQNZUBLZNNJCM-FZKQIMNGSA-N 434.453 1.730 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cn2)CC1 1318037400 OHBWWCKIUANUQH-FQEVSTJZSA-N 432.528 1.764 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1358885769 QDVBOHYOJDLPRZ-HJUABHRKSA-N 436.516 1.580 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1358885844 SEIXFRDRIAJKMQ-DLBZAZTESA-N 435.532 1.371 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358961334 WOVHAWLKULOKGG-IBGZPJMESA-N 428.562 1.453 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1359024807 WJVHMMXVXDLOQI-UHFFFAOYSA-N 431.562 1.912 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCN(CC)CC2)CC1 1359041265 RNKGANWHPCULPG-UHFFFAOYSA-N 429.613 1.395 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1359044276 AYYKUOIHUTYBNR-MISYRCLQSA-N 429.565 1.689 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359096509 CPRLPTWCMKYLMD-NUJGCVRESA-N 447.565 1.234 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1)C1CC1 1359246870 NNDBKWJWTXMHTL-OAHLLOKOSA-N 442.655 1.871 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1359304802 KBWOVFDPOYPLHT-NRFANRHFSA-N 428.562 1.883 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1359330569 WSDNYXRKORWHFX-MRXNPFEDSA-N 447.561 1.646 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCc1ccco1 1359854483 VDDLVNDFCHOJHE-UHFFFAOYSA-N 448.531 1.979 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1435871266 RKZOHKZBDOIGRN-SQNIBIBYSA-N 428.489 1.852 30 10 IDEE C=CCn1cc(CNC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)nn1 1436932814 SXBTXEQOXARJSI-LBPRGKRZSA-N 427.324 1.953 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC(=O)Nc1ncc[nH]1 1450951311 DRXSPSNMOUUDHP-UHFFFAOYSA-N 436.266 1.966 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](CS(=O)(=O)NC)C3)ccc2c1=O 1454456280 VSQYBCAFTMHMOJ-ZDUSSCGKSA-N 436.559 1.273 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 1455706016 QWOYRPQWBFAHMT-KRWDZBQOSA-N 438.569 1.962 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)c1 1468560724 GXOLSKWXFQHOMX-LJQANCHMSA-N 436.599 1.764 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1468880612 BWDPKZSUAVOIQR-MSOLQXFVSA-N 440.525 1.583 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCCC2)n1CCOCCCO 1494138350 XJADZFLUYRKESL-KRWDZBQOSA-N 440.552 1.711 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1504888127 ISNSPDNXPZPDAK-KRWDZBQOSA-N 425.555 1.363 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1507609094 WRPAHFPUWNQRQH-SFHVURJKSA-N 433.516 1.695 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCOCC1 1508072070 BULONDVCJNRRFV-UHFFFAOYSA-N 437.508 1.086 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508077293 MACZCBVTIWNNMI-QGZVFWFLSA-N 438.488 1.335 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508084424 NXIGSLMGNJUUQU-UHFFFAOYSA-N 445.593 1.816 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](C(C)C)C1 1508085165 FZZBEDJFNZUGBX-INIZCTEOSA-N 432.550 1.886 30 10 IDEE CCOCc1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516490509 LTUPENBYFSWTIB-FMBJTNBESA-N 430.509 1.345 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517125686 UASYGVGQLZJNFO-HYHOCUEZSA-N 447.499 1.816 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1517538055 LMPKZNYBUGJCIA-JKSUJKDBSA-N 432.431 1.192 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1517667748 GEUGVYVQTDASPG-SFHVURJKSA-N 425.489 1.748 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)c1 1528411327 COHGPTVZRKJSQW-NRFANRHFSA-N 435.484 1.095 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCCNS(=O)(=O)c1cccs1 1534322639 LRUCYZMIPNHWMQ-UHFFFAOYSA-N 444.332 1.856 30 10 IDEE CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537005634 KQHIOBJXMSLOKJ-XGHQBKJUSA-N 433.530 1.724 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539212852 YGVCEVSXQAWMKJ-FQEVSTJZSA-N 443.573 1.294 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540856999 OXLQLEJYOLGXGD-RHSMWYFYSA-N 438.488 1.221 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CCC2)CCOC1 1541732663 FTUHYZNWWBCLSM-YRJQNMBXSA-N 437.566 1.349 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCCCCCS(N)(=O)=O)c1 1544402032 PEDRFOQUQYDXKW-HEHNFIMWSA-N 444.579 1.677 30 10 IDEE CCSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1552622708 VMWLZIKSQSUOIF-GJZGRUSLSA-N 430.600 1.493 30 10 IDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1554594581 LTQGPSQVUAYHRT-FPTDNZKUSA-N 437.504 1.666 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccn(C)n1 1555639443 NBZCTMUNVCWTRC-CQSZACIVSA-N 438.492 1.319 30 10 IDEE C#CCn1cc(CNC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)cn1 1556465339 CJCCXQJGBFOARK-UHFFFAOYSA-N 448.340 1.852 30 10 IDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1557114143 JHKDBEMNLLCWRD-OAHLLOKOSA-N 445.497 1.523 30 10 IDEE COCCN(CCOC)C1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1557318862 NHGAYADDTPYAMK-INIZCTEOSA-N 434.924 1.370 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC3CCCCC3)nc2)CC1 1563898624 FLUIABVRNXREMN-UHFFFAOYSA-N 435.550 1.088 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 1568095538 QPCOWUOQBQUCKK-OAHLLOKOSA-N 443.456 1.981 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCN(C)C)c(OC)c2)cc1 1570418361 MTODSJNBEKCMJT-UHFFFAOYSA-N 431.514 1.799 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1585666303 SSZZHDCDSOLMRA-INIZCTEOSA-N 430.571 1.846 30 10 IDEE CN(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1586903786 IZNLINOHCVCFFK-MSOLQXFVSA-N 436.310 1.176 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588064400 HPMUUVKMLSLGHW-LJQANCHMSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1588166441 GSYILXSQNIWPFR-QURGRASLSA-N 448.458 1.595 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1588387174 RULYZPIFAXANMW-IBGZPJMESA-N 445.589 1.628 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(F)(F)C1(OC)CCOCC1 1588619744 DHKXPNJWACDGRU-UHFFFAOYSA-N 438.479 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C/C=C/c2ccccc2)CC1 1588923753 LGDXAQZGBYLYDK-ZGBFETHSSA-N 432.528 1.908 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1593691493 WRCUDRSVJFKRSH-OALUTQOASA-N 434.585 1.556 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1595477655 XDIWZGQKVCHLHL-PBHICJAKSA-N 430.484 1.574 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1595737657 FWKGJXGTXLRVJH-SFHVURJKSA-N 431.562 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(C)nn(C)c1C 1595754442 OHUSRPLBZHYFNB-UHFFFAOYSA-N 449.581 1.102 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595777903 UINKKJMXXGUGBS-LAUBAEHRSA-N 432.546 1.930 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595884775 SSWIRKHWIDWFTM-IRXDYDNUSA-N 441.623 1.404 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)C2 1595972714 RYZWPEPGJAPHMX-QGZVFWFLSA-N 429.473 1.615 30 10 IDEE Cc1ccc(C(=O)NCCn2nc(C(F)(F)F)cc2C)cc1S(=O)(=O)NCC#N 1596228261 NOCXQBSBEIDWLJ-UHFFFAOYSA-N 429.424 1.751 30 10 IDEE N#Cc1cn(CCC(=O)N(CCCOc2ccccc2)C2CCOCC2)c(=O)nc1O 1611045378 KUZCJYHDIHMGJU-UHFFFAOYSA-N 426.473 1.687 30 10 IDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1611075580 AJKDWLSUDNZLFD-UHFFFAOYSA-N 432.550 1.760 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 1611467013 GQKAQKPTMMWJDZ-OAQYLSRUSA-N 426.538 1.980 30 10 IDEE CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1614249879 JNKBVSGLKPBILD-QBEKEKFNSA-N 437.504 1.406 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C)[C@H]2CCNC(=O)OC(C)(C)C)C1=O 1616490985 JJLYDWMUABUXFO-HUUCEWRRSA-N 436.509 1.505 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1617907380 CSCPGOWGACZBCA-UHFFFAOYSA-N 438.517 1.279 30 10 IDEE COc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1619303079 FSMFWWWBPUQIKP-OLMNPRSZSA-N 426.477 1.434 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1619615938 MQYLIFRFIDWTSG-RBUKOAKNSA-N 425.468 1.903 30 10 IDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1619810401 MQVHFFNJZICWKK-RTBURBONSA-N 427.505 1.994 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1619845260 VVVPCCAEBCORCT-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(C(=O)CC#N)CC2)C1 1622396142 UGEPPRFDKLSKPD-PGRDOPGGSA-N 428.489 1.387 30 10 IDEE COc1cc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 1623938573 COLULOQBZXTSBS-UHFFFAOYSA-N 428.514 1.721 30 10 IDEE C#C[C@@H](CO)NC(=O)c1ccc(I)c(I)c1 1625165354 KTIFVDQOZSAHNG-QMMMGPOBSA-N 441.006 1.620 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1625562217 ZWGIZOPJIPGBPU-HNNXBMFYSA-N 427.548 1.418 30 10 IDEE C#CCN1CCCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1629537372 XSUDBYMJWCIPAT-XMMPIXPASA-N 444.535 1.667 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC)c1cc[nH]n1 1633543417 SMXXYZGXUXXYSO-UHFFFAOYSA-N 443.460 1.258 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4ccc(S(N)(=O)=O)s4)CC3)n[nH]2)cc1 1640946800 AOQJIOGNFJJLRJ-UHFFFAOYSA-N 442.526 1.620 30 10 IDEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)cc1 1640953408 LWJRDGVPUGELHH-UHFFFAOYSA-N 430.482 1.470 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1 1644882328 HEEPXTPSVRCSNQ-AZUAARDMSA-N 447.463 1.578 30 10 IDEE N#Cc1cn(CCNC(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)c(=O)nc1O 1649428060 UZAFNHXOTATHNJ-LJQANCHMSA-N 436.516 1.422 30 10 IDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nc2ccccc2c1=O 1651611006 LBWHFHODNTWPKL-UHFFFAOYSA-N 436.559 1.215 30 10 IDEE COC(=O)[C@]1(C)C[C@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1659737812 YUTSEZVCUGAIST-IPJJNNNSSA-N 432.496 1.187 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)C1 1664134738 CWNOADVPHMOAQW-SFHVURJKSA-N 439.603 1.546 30 10 IDEE Cc1cc(O)nc(N2CC[C@H](NS(=O)(=O)c3cc(Br)cc(C#N)c3)C2)n1 1665502938 CAAMWVHQQWQCIS-ZDUSSCGKSA-N 438.307 1.682 30 10 IDEE C=CCN(C(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1675057481 XWNRUUGIIVCHQI-CQSZACIVSA-N 439.538 1.841 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1680531471 HWECTKDZTBTJJY-AWEZNQCLSA-N 449.576 1.310 30 10 IDEE CN1C(=O)CC[C@H](NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1682183646 IXTDDYKHXFYJBZ-PRJMDXOYSA-N 437.287 1.946 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)CC1 1682735078 LUMIMLVRTZJLFP-GOSISDBHSA-N 436.578 1.590 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 1683562903 GWEWZZARVXSVCN-IAGOWNOFSA-N 444.561 1.384 30 10 IDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689996737 NJJYXKNHFLOUGA-GOSISDBHSA-N 444.557 1.626 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1690019422 IHXHUAFEYIMHTF-OAQYLSRUSA-N 429.480 1.919 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cn3ccccc3n2)CC1 1690110688 WFIZHYLMOXVKNA-UHFFFAOYSA-N 448.575 1.842 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1690122231 LCLYVROUTAGONN-QGZVFWFLSA-N 445.568 1.241 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1690237291 XIHWVJJAIOSSFD-HNAYVOBHSA-N 441.536 1.054 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1690300626 GYPULFJNRLXWJF-PWIZWCRZSA-N 439.582 1.488 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1690508219 DEMZFAZUPUDMBS-GOSISDBHSA-N 446.577 1.495 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1690662262 WWVFILPJKLTPDB-HNNXBMFYSA-N 431.294 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CC)C1 1690720689 QBRLGJQQYWZTNT-MRXNPFEDSA-N 434.518 1.890 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)C)CC1 1696501081 AKCYRAMCOBCTDG-UHFFFAOYSA-N 431.566 1.286 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705534833 STJCDFPXMBWULI-YLJYHZDGSA-N 425.489 1.545 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1705676137 OTILSJHHZJKREP-HXUWFJFHSA-N 429.546 1.196 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CCCO 1705717468 KVBUTCDANMQBAE-ZWKOTPCHSA-N 425.599 1.429 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705756694 KVVOZMXWUFJPGN-HXUWFJFHSA-N 429.912 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705898507 ODLUKPTUVDQSNO-AWEZNQCLSA-N 438.941 1.309 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1705901272 HKDSBKKPZKUMEU-UHFFFAOYSA-N 443.596 1.372 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1705931805 AYRWUTOKEOEPNF-OCCSQVGLSA-N 446.455 1.492 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1708248931 IXLIGCNSNKRSAP-VQIMIIECSA-N 443.577 1.429 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1709352371 GIJNYDNMOWERJJ-YUMLTWSLSA-N 430.509 1.314 30 10 IDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1710722576 JDFKATJDSNVUIN-VQTJNVASSA-N 440.548 1.943 30 10 IDEE CCOCc1nnc(N2CCS[C@@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710754407 HJSCNTDCFKHVJB-VRTBNJGNSA-N 434.566 1.919 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1711371461 IATNLVYZKORTDV-UHFFFAOYSA-N 447.547 1.931 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1722279622 TZWGVVPKTHFEEK-XREYTECCSA-N 441.532 1.267 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1722357782 AJMUDNFGKDFVEV-MSOLQXFVSA-N 449.577 1.168 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722364335 FUXFXFMDHPNGEK-HUUCEWRRSA-N 425.555 1.380 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)C1 1722496077 IYEHAHUDIMGHCQ-QRWLVFNGSA-N 427.505 1.880 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1722682203 YDCIFPBMWHCWDY-SJORKVTESA-N 434.566 1.278 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1722700362 GLVFJVRIUPGLMX-UHFFFAOYSA-N 434.500 1.974 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCCCC2)C1 1722710458 JCAZVMHTJWTJJO-JKSUJKDBSA-N 427.571 1.365 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722725793 SDTKDQYLNFSVNG-HDICACEKSA-N 448.593 1.486 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1729714204 ZNNVCRSXTFXINL-GOSISDBHSA-N 448.531 1.760 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1740630456 JPCFHTWYKFWFBJ-GOSISDBHSA-N 428.514 1.227 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740698342 DMAFBDFBHOSTJA-HXUWFJFHSA-N 436.560 1.570 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCCS(C)(=O)=O 1740714097 RBYOVQHUPDRZAO-UHFFFAOYSA-N 436.559 1.911 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1740889485 DBWFTGMHTCMMDJ-UHFFFAOYSA-N 434.504 1.828 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1740946860 KMTMBBZTSDCXGE-SJORKVTESA-N 425.555 1.050 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1740950817 IMVBTHMOTWLQCB-QGZVFWFLSA-N 426.496 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740957372 LIYUOMRIKDQSQU-MRXNPFEDSA-N 428.541 1.112 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1741209641 CIXNGNARGFHAMN-CRAIPNDOSA-N 440.504 1.824 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1741639947 QTIJAORYWYLURM-UHFFFAOYSA-N 435.488 1.834 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C 1742254488 RJAWYBSEJXJCID-VGOFRKELSA-N 437.504 1.354 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1746459520 CYPVCDQDAWWOME-UYAOXDASSA-N 438.580 1.651 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1748671883 NVLNJJNNBDVUHS-DOTOQJQBSA-N 425.518 1.267 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748686900 YVGWBUCIAMPQGU-DLBZAZTESA-N 447.561 1.748 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1748811597 IXMALCAKWLJVDJ-IBGZPJMESA-N 439.545 1.631 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748819464 OZTSEAXCVASYKT-RBUKOAKNSA-N 431.562 1.706 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCCCO1 1748956251 ARLBMFHCAFADOS-HXUWFJFHSA-N 436.520 1.966 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 1749020088 LAXCXKCQZKMYSG-UHFFFAOYSA-N 428.566 1.389 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1749037605 GMQPMPKVIMNWFR-UHFFFAOYSA-N 439.593 1.916 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC 1749344172 GTYLEVLOVDCBDF-SJLPKXTDSA-N 449.533 1.013 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOCC2CCOCC2)cc1 1750382788 KVUPMDFHAZAMFL-HXUWFJFHSA-N 438.532 1.962 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)C1 1751282630 PEIRSNBUUAUJTM-WZONZLPQSA-N 438.532 1.962 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC=C 1760120264 KAITXSNIJYDPNQ-HXUWFJFHSA-N 435.576 1.403 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2OC)CC1 1760260113 LTFWVXGWBFOLJA-QGZVFWFLSA-N 428.924 1.695 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(=O)NCc2ccco2)CC1 1760270129 LYTZQBNSNBPQGX-UHFFFAOYSA-N 426.521 1.352 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)COC)CC1 1760302280 YLBUEWFZVHJBET-CQSZACIVSA-N 446.346 1.206 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1F 1760515887 HONOMVOBVZCBOB-KGLIPLIRSA-N 438.529 1.527 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1760522259 PBLFVBNXOVXVGY-OAHLLOKOSA-N 432.475 1.689 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760552065 ANTGORDZTFZPHO-KRWDZBQOSA-N 431.522 1.185 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCC[C@H]1CO 1763016502 CFJYYQXPZNIZGO-SFHVURJKSA-N 425.537 1.612 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1768980850 PMVWVIQHWFBBAJ-VFNWGFHPSA-N 426.477 1.073 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1769783609 FGXIRUZBINOLMD-VQTJNVASSA-N 437.548 1.452 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c[nH]nc2c1 1770049551 CYTFLGDFEXZHLE-MAUKXSAKSA-N 425.493 1.850 30 10 IDEE CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1770580556 CHZSWIFJMJYQFV-VQTJNVASSA-N 438.532 1.927 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1771081950 YPTIYJHZPMPKAB-FQEVSTJZSA-N 435.536 1.828 30 10 IDEE C=CCN(C(=O)[C@H](Oc1nc(OC)cc(OC)n1)c1ccccc1)[C@H]1CCN(C)C1=O 1851342342 BWKCPDJHHJKFKG-QFBILLFUSA-N 426.473 1.859 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 1852436695 NNOTVCXRUAGBGO-UHFFFAOYSA-N 448.932 1.847 30 10 IDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(C#N)cc2)C(=O)C1 1853940655 WIILBFYDMXGYMC-UHFFFAOYSA-N 429.473 1.998 30 10 IDEE CCC[C@H](F)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854206738 RDDIXNZAKFXPQY-SJORKVTESA-N 436.509 1.130 30 10 IDEE N#Cc1cc(C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)ccn1 1854454608 DNNIXKQIVHYMNB-INIZCTEOSA-N 430.530 1.375 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2=O)CC1=O 1855955834 PSUXKHVUDYMRJX-UONOGXRCSA-N 439.921 1.123 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1OC 1870143430 LPKVKISFYXFTIC-UHFFFAOYSA-N 442.457 1.780 30 10 IDEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870617414 MNEDIHXAXDBUKZ-UHFFFAOYSA-N 439.512 1.821 30 10 IDEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871656599 FZDFCDRNDQPNSH-GOSISDBHSA-N 438.580 1.760 30 10 IDEE C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890239156 NCDPOBXYGRBVJH-IBGZPJMESA-N 443.544 1.441 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](N(C)S(C)(=O)=O)C3)n[nH]2)c1C 1891813622 ZDEBDXJFYAUQNJ-INIZCTEOSA-N 434.566 1.962 30 10 IDEE CC(C)(C#CC(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1993919986 VNKWZBIWANTDIB-CABCVRRESA-N 425.526 1.780 30 10 IDEE Cn1c(Br)nnc1CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2128781232 OOASHMUXCZDFDC-NSHDSACASA-N 429.319 1.823 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)C1 2247556328 GBLIDVKAXHPLCO-XNROWMOSSA-N 437.537 1.949 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2247832260 MAMAYFMERRFEBA-UHFFFAOYSA-N 438.359 1.640 30 10 IDEE C=C(CS(=O)(=O)N1CCOC[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247901155 GEPBJDDQTWFOKY-HNNXBMFYSA-N 446.375 1.729 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H](F)C1 2255631881 FYWCJEBVRSUQRA-STQMWFEESA-N 438.309 1.786 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255697686 KGGSMHBTRGSAKY-INIZCTEOSA-N 435.330 1.338 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2315532582 UOYDNPZECITJGA-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2315604491 OHVJFMYOCHPTEA-BTTYYORXSA-N 432.330 1.314 30 10 IDEE CCOc1cc(C=Nn2c(C)nnc2SCC(N)=O)ccc1OCC(=O)N(CC)CC 2321124058 OKDGXWIZJFEIDE-UHFFFAOYSA-N 448.549 1.692 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2343090011 RYZVCADTRMIOPL-UHFFFAOYSA-N 449.332 1.689 30 10 IDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@@H](O)c2cc(Br)c(Br)o2)CC1 2367825274 PDHWBWWNTCPGBK-PSASIEDQSA-N 427.114 1.746 30 10 IDEE CSc1nc(O)c(C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1C#N 434506592 VSZVRYHJFXUEFT-ZDUSSCGKSA-N 438.465 1.518 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(F)cc1 484571880 OCFSLYWBBOYCME-UHFFFAOYSA-N 441.509 1.710 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CSC[C@H]3C(=O)N3CCCC3)C2=O)cc1 504947072 CBBRNBAKFPQHDK-SJORKVTESA-N 441.513 1.287 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 506696078 NRVIEDHHOROFOT-NVXWUHKLSA-N 427.548 1.212 30 10 IDEE C=CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 508818940 VNPHCLAHHNJMIS-GOSISDBHSA-N 444.495 1.951 30 10 IDEE C[C@@]1(c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)NC(=O)NC1=O 546927938 YRZHQZVWEFYHFU-QFIPXVFZSA-N 433.472 1.040 30 10 IDEE CN(C)C(=O)CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 549503001 CCSAMCIDKQVWQH-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C#N)c3ccc(F)cc3)cc2)CC1 552369934 LPBPVRLGHKGQRQ-HXUWFJFHSA-N 444.488 1.673 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 562092801 YZCQOKNGNPDLTP-GOSISDBHSA-N 429.498 1.375 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 670208212 ZHZHIJRKORUNHI-ROUUACIJSA-N 439.582 1.440 30 10 IDEE C=CCn1c(Cc2noc(CN(C)c3ccc(Cl)cn3)n2)nnc1N1CCOCC1 680713257 HUPAVUNHGULOBY-UHFFFAOYSA-N 430.900 1.959 30 10 IDEE O=C(Nc1ccc(F)cc1)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 728525007 DWETURFQHWTGGX-HNNXBMFYSA-N 448.501 1.404 30 10 IDEE C#Cc1ccc(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)nc1 729010051 KZSNZGCWACALOG-UHFFFAOYSA-N 432.436 1.076 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732698358 YAQUMNQOULDQRA-QIDKZVQTSA-N 430.534 1.703 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCCN(C)C)C(=O)N1CC(=O)NC(C)C 741452340 FNAZCRGXZMNMNL-GOSISDBHSA-N 447.605 1.909 30 10 IDEE COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1C#N 746976057 JUPCYRWUTFYSRT-UHFFFAOYSA-N 446.481 1.953 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758049689 JDVDRFLPPXLXFT-UHFFFAOYSA-N 429.567 1.168 30 10 IDEE O=C(COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)NCC(F)(F)F 768663242 BTOAXKWQSKDLLH-UHFFFAOYSA-N 431.211 1.748 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC(C)C)[C@@H]2CCCc3cccnc32)c1=O 774614558 SMRHQGFSZSFRAT-LJQANCHMSA-N 425.533 1.932 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)cc1C#N 781536838 JBETWAHFELZMOA-UHFFFAOYSA-N 435.440 1.800 30 10 IDEE C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)NC1(C#N)CCC1 787599672 HVWQSYSMJUVMAW-OAHLLOKOSA-N 448.545 1.645 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNC(=S)NC[C@@H]2CCCO2)C1 794470029 ANMQCDPDQQOKGK-CABCVRRESA-N 427.571 1.379 30 10 IDEE COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802515983 UKDSVJNELFZWFR-GOSISDBHSA-N 443.939 1.684 30 10 IDEE O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 803430552 FVZZTTKGIBJXHZ-LBPRGKRZSA-N 446.451 1.032 30 10 IDEE C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 803698625 CUPMRYJKOGRXRH-INIZCTEOSA-N 432.498 1.241 30 10 IDEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250048 FUKZZHBFYZEQQL-UHFFFAOYSA-N 444.463 1.786 30 10 IDEE CS(=O)(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914551332 AQQOTJCQBJKQTH-HNNXBMFYSA-N 442.538 1.365 30 10 IDEE CCOc1ccc(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)cc1 916178654 IOLMATRJZDNCKE-QGZVFWFLSA-N 427.482 1.956 30 10 IDEE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCC(=O)NCCO)n[nH]1 1084443945 KAQLYIAKNJYDGX-UHFFFAOYSA-N 443.537 1.011 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)C1 1143864467 GJMUCCGYGZXJKJ-UHFFFAOYSA-N 448.545 1.726 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)CC1 1152967448 HMYGLKHLGRUOJY-GOSISDBHSA-N 439.537 1.633 30 10 IDEE CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)NCc1cccs1 1163190133 TUFICWABYZTTII-INIZCTEOSA-N 434.543 1.683 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCCN(CC(=O)NCC#N)C3)[nH]n2)CC1 1174796906 CDNZNAAUSTWPTC-MRXNPFEDSA-N 431.541 1.286 30 10 IDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(=O)OC 1183669342 FATYFTWMZZULJG-HXUWFJFHSA-N 428.510 1.922 30 10 IDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1ccccn1 1188926968 QZPLMYPTRANALR-UHFFFAOYSA-N 436.563 1.158 30 10 IDEE C#CCC1(NCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCCCC1 1198084892 MSMIJAHZWMOWBB-UHFFFAOYSA-N 433.574 1.640 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 1208443213 SQWYXDNZHOIMLQ-UHFFFAOYSA-N 426.903 1.642 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)c1 1235044993 IEVLSFOSKDJNHR-CTNGQTDRSA-N 449.559 1.778 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 1254324266 KDSLWPVETIOECF-SFHVURJKSA-N 425.537 1.647 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1286295305 IIMIGQJEUHBLMR-PKOBYXMFSA-N 447.561 1.456 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1286313929 HXDQGARYYRIGBK-UHFFFAOYSA-N 425.493 1.024 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286323288 JLWRQENLKAUUDM-QGZVFWFLSA-N 433.578 1.479 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286389466 KLUDECYMHNGHOO-DOTOQJQBSA-N 432.550 1.423 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1286398462 JUBIYQADVPPWAI-DLBZAZTESA-N 435.575 1.764 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC(O)CC1 1286406646 BLVFCGRGDMHMSF-UHFFFAOYSA-N 443.555 1.756 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2F)CC1 1286495194 XJEDHJKHKGOENV-UHFFFAOYSA-N 438.507 1.554 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC2)CC1 1286495566 ZTZGMYLDWPDAHT-WDSOQIARSA-N 431.537 1.004 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286601889 PNPYSASFYVMARQ-LJQANCHMSA-N 445.568 1.728 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286667102 OTPGSKZLACJEJM-KRWDZBQOSA-N 432.569 1.846 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)COC)CC1 1286695461 ANXVXJGBKVZKCS-UHFFFAOYSA-N 437.508 1.182 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286789413 GKMJMLBUICRMQU-GOSISDBHSA-N 443.596 1.056 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286823591 WOKHYPXZIAKBLU-UHFFFAOYSA-N 436.582 1.169 30 10 IDEE Cc1ccccc1Cc1nnc(N2CC[C@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290159131 SBUATDQJMDUMPP-WXVFVKJXSA-N 449.515 1.015 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc(COC)no2)CC1 1296525495 ZTEHWHUYXHAFGL-CQSZACIVSA-N 443.932 1.896 30 10 IDEE CCOCc1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1297116961 HAKPAYQERJMQGP-SBOQUQFBSA-N 429.525 1.014 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1298092675 JTWIAOHJDNDZIR-UHFFFAOYSA-N 440.548 1.924 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1298690128 LEUZUIRZZQRTEX-UHFFFAOYSA-N 433.534 1.229 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300495581 INXDKYWXAIPSKO-RBUKOAKNSA-N 444.557 1.774 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300501344 KAPGDFICSSAQTR-JXFKEZNVSA-N 434.587 1.827 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300509181 HDUYXOVULCZEEV-KDURUIRLSA-N 435.532 1.498 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1300535879 PUXDZEZXUSSLRL-IBGZPJMESA-N 446.559 1.440 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1300539101 YDOMAEXNIBBGGW-SFHVURJKSA-N 426.542 1.529 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC(=O)N2)CC1 1300685046 FBUTZOWHMWJDOJ-OAHLLOKOSA-N 446.353 1.080 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2CCCCO2)CC1 1300723070 PJVWORZZKSJAQK-QZTJIDSGSA-N 428.537 1.154 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300863206 KTFMRNBCVQFLGZ-IKGGRYGDSA-N 439.582 1.411 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301485140 RSVZLCKGLFNRSO-QGZVFWFLSA-N 434.460 1.388 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1301490934 ITLQUGPPNVHYHA-MRXNPFEDSA-N 442.568 1.358 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301952161 HTFREESVZBCLMT-PASDCYSWSA-N 440.570 1.212 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1303065311 AVFNQKOFIKZFGB-MRXNPFEDSA-N 431.541 1.277 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCc3cn(C4CC4)c(=O)nc3O)ccc2c1=O 1303102029 HSBPVMHWEWPCQF-UHFFFAOYSA-N 425.470 1.398 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCOCCN(C)C 1305122192 MJOLCMOQTIEGSN-KRWDZBQOSA-N 439.568 1.501 30 10 IDEE N#CC1(CNC(=O)CNC(=O)c2ccccc2I)CCOCC1 1305277474 XKWSEGDKYHGJHK-UHFFFAOYSA-N 427.242 1.458 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)n1 1306310106 OYIPNWIHJWYJCS-LBPRGKRZSA-N 430.581 1.312 30 10 IDEE CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1306650281 BVQDZJZOCRQIOX-CQSZACIVSA-N 430.534 1.905 30 10 IDEE COc1ccc(OCCN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1315540458 DNRUHBNDRYZCTM-VXPUYCOJSA-N 426.477 1.637 30 10 IDEE COCCCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1316053315 TZKYZGNWCHWQRH-AZUAARDMSA-N 427.505 1.974 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1316149419 RFCZKPQJIZRQDY-UHFFFAOYSA-N 449.515 1.756 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1316179792 WWBLSUGSXIUXBY-JLTOFOAXSA-N 431.472 1.846 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)OC 1316206617 PAXZBASATKLUOB-IRXDYDNUSA-N 429.525 1.630 30 10 IDEE CCOc1ccc(NC(=O)c2cnn(CCC#N)c2C)cc1S(=O)(=O)N1CCOCC1 1356571152 MDLZACDHYZTBTP-UHFFFAOYSA-N 447.517 1.777 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358937270 OCNOEKKEYNAKPZ-IXDOHACOSA-N 446.552 1.510 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCCS1(=O)=O 1358945929 AICNUVLCMBVOEA-HNNXBMFYSA-N 440.529 1.229 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1358961224 UPTMCQSFNNILFX-HUUCEWRRSA-N 437.616 1.749 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358965016 MGUMMSWPCADYLI-XLIONFOSSA-N 436.603 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1358984955 LGNPGJSEVBDBAS-KXBFYZLASA-N 435.575 1.320 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1358992870 ZDQRXQUZPKJDOE-ROUUACIJSA-N 428.537 1.853 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1359031254 VSNWIATYCRXKDY-VXKWHMMOSA-N 448.637 1.123 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1359042237 XQJRFMFHQPXQDQ-UHFFFAOYSA-N 445.527 1.309 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(F)cc(OC)c2)CC1 1359047746 RNXCGXBGIUWSBQ-UHFFFAOYSA-N 429.496 1.976 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359060468 WGRDOOHNOBSPBJ-UHFFFAOYSA-N 445.593 1.105 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359132932 IKGJEZCSTLOZOW-FQEVSTJZSA-N 446.596 1.509 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1359278928 LVHDIEMFUJCHMY-NRFANRHFSA-N 449.577 1.054 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c1 1441763383 DLDJHIUORFLQNZ-TZIWHRDSSA-N 437.471 1.408 30 10 IDEE CN(c1cccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1)S(C)(=O)=O 1456982089 QZTJCYBUDYNZGI-UHFFFAOYSA-N 435.527 1.185 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CC(N(CCOC)CCOC)C3)ccc2c1=O 1457912687 ZCRLWSWYULIYJJ-UHFFFAOYSA-N 432.546 1.290 30 10 IDEE CC(C)(C)OC(=O)NCC1(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1457924366 DACUBHVHVWBXFN-UHFFFAOYSA-N 436.534 1.648 30 10 IDEE C#Cc1cncc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)c1 1463184552 WTWDEEOFOYGATN-INIZCTEOSA-N 431.233 1.981 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1471250778 KEMIEGASRJGDTL-UHFFFAOYSA-N 435.424 1.679 30 10 IDEE C#CC1(F)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1471607414 ZZAGPGZNWYFCJZ-CQSZACIVSA-N 445.310 1.166 30 10 IDEE C[C@]1(C2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)NC(=O)NC1=O 1478902429 TVLYQKJBGOSWBE-HSZRJFAPSA-N 438.532 1.542 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@H]3CCC4(CCOCC4)CO3)CC2)c1C#N 1479299458 KQPGPDSCBJZUSQ-GOSISDBHSA-N 430.553 1.798 30 10 IDEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1502291813 HYMUUQMRURQMIQ-MBOZVWFJSA-N 437.614 1.893 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1503403115 UNZWAZJASLQWJT-ROUUACIJSA-N 426.477 1.509 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@H](C)O1 1504722629 RHSZSXCTLPVCIP-FXAWDEMLSA-N 428.537 1.635 30 10 IDEE COCCCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1504835698 KPDGJLHWVPSOEX-LJQANCHMSA-N 442.520 1.609 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1505028431 YRBVZAKYSSKSMT-ZWDAVXSWSA-N 427.505 1.598 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)OC)c1 1507549016 XQHNTLFETRZPHI-LJQANCHMSA-N 438.532 1.995 30 10 IDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1507568048 QCYDPMXXDLPDBL-SJORKVTESA-N 446.552 1.702 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2nccs2)CC1 1507740693 WTUAKUJXLJQPAJ-UHFFFAOYSA-N 435.557 1.929 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1OC 1507766055 YDFGRPWPAAHHAF-VBKZILBWSA-N 449.581 1.233 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1507791929 BZUUGQQIKJNYNG-DYVFJYSZSA-N 428.331 1.506 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1507847589 AKZQXPJHMNUWHX-VLCRHTCISA-N 436.553 1.907 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(=O)NCC)CCC2)CC1 1507896336 IVXHBFDJIPHFDV-OAHLLOKOSA-N 438.598 1.597 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1507936206 ZSAUYXNACWAAHX-HNNXBMFYSA-N 430.596 1.550 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1508079295 QFVJOAZGRCOTKI-SJORKVTESA-N 440.548 1.937 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOCC)CC1 1508099484 YYKRJQLBYJDDOS-UYAOXDASSA-N 448.612 1.657 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1508399686 GKGVDXCXBZCUGR-MSOLQXFVSA-N 440.460 1.369 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1508405511 GBUYJAFJYCRTTO-INIZCTEOSA-N 445.549 1.088 30 10 IDEE Cc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1510788646 BBGVLFHETOTKJF-TUPYQCFKSA-N 426.477 1.987 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1517125697 UFGZVUHSHFAMAL-HXUWFJFHSA-N 440.573 1.950 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1519529442 CILUKEGWWHUFEW-SFHVURJKSA-N 428.518 1.243 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1539030317 QCAMCVZJOTVFNR-SFHVURJKSA-N 431.562 1.967 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539219437 CHNCKMUMAGNTCU-RTBURBONSA-N 446.577 1.513 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539229681 GRNYYGDQYARDPN-UGKGYDQZSA-N 430.574 1.851 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539324270 SHHXVXNRXOQYIL-KRWDZBQOSA-N 429.521 1.539 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Br)n1 1539391987 KVKDHFZDXGJRNG-UHFFFAOYSA-N 447.337 1.806 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540027427 WMNQJWGNNPTNOT-AZUAARDMSA-N 429.569 1.818 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC(C)C 1540072727 MUZMYFNBIZMTHO-UHFFFAOYSA-N 448.597 1.402 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540872300 JZERFPOCWNWQMN-QGZVFWFLSA-N 435.525 1.324 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1540909381 GGQUOTFHGHTQTC-IRXDYDNUSA-N 442.655 1.872 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1541089630 CUSYCOADCPLBKY-UHFFFAOYSA-N 445.531 1.768 30 10 IDEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CC1 1541954066 BIPXPLGKAGSLJK-NRFANRHFSA-N 444.561 1.449 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1547902647 YZJHQYNNJARLAZ-FCHUYYIVSA-N 442.520 1.970 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1548334308 DNAFQOQWLQRNRI-INIZCTEOSA-N 432.550 1.761 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 1570495860 ZFAXDDNKNGXRBG-HYVNUMGLSA-N 448.545 1.835 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587632983 QNVVKCDFWSDKDW-DLBZAZTESA-N 428.537 1.885 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OCCOC 1587990284 VAVKLUALRNFSNW-GOSISDBHSA-N 432.546 1.632 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1588638304 RLWCTCJLVALDRK-FGTMMUONSA-N 432.569 1.203 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1589216868 ZIDDNMCTNONPIA-NNMXDRDESA-N 449.621 1.529 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1589581460 SKBPOALVJQPTER-YGLGAKQISA-N 447.580 1.967 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)=O)CC1 1593735514 IYGVOBLKHFSPMY-UHFFFAOYSA-N 430.509 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1595784865 LSENEPRCHOEEHK-KRWDZBQOSA-N 443.533 1.043 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1611740258 CMWKQGXOZAMXEU-WFIKIKRESA-N 431.468 1.826 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1615092407 BTQLDXIRAOCYQJ-SFHVURJKSA-N 438.492 1.508 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)C[C@H]1O 1618884108 PDSNAJPJJCVPPF-GUDVDZBRSA-N 439.516 1.992 30 10 IDEE COC1CCN(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1619505857 GATBTTNDRCNJGM-SFHVURJKSA-N 428.541 1.297 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619583248 BZXWQTPMNUOZOE-AEFFLSMTSA-N 442.568 1.695 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@H](C)O1 1619733613 HSQODXMTTQUBFF-XWFZLUIHSA-N 427.505 1.862 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1620053524 OPVSRFDPZWPFST-OALUTQOASA-N 438.532 1.973 30 10 IDEE C#CCC1(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CCOCC1 1620593302 LJSRMFAMBJJEPN-UHFFFAOYSA-N 449.573 1.970 30 10 IDEE C#CC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1)C(=O)OC 1626188462 ZMVGTXKXALWWEJ-HOCLYGCPSA-N 444.513 1.271 30 10 IDEE CN1CCN(CC2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)CC1 1628387219 HZQXLQBDZDHPPY-FVRICEFQSA-N 431.581 1.479 30 10 IDEE COc1ccccc1[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccn1 1633902470 YVUDRBBBNWQCEV-NYSBEXSLSA-N 426.498 1.759 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1635022200 VOOMKGAVZFGJEG-GFCCVEGCSA-N 438.930 1.259 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)OCC)([S@](C)=O)CC3)n[nH]2)c1C 1635780699 XRXFJSYEDCWBBN-HKBQPEDESA-N 447.561 1.992 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636692239 WEYKCSRZPYFRLD-ZBZXYNRHSA-N 433.530 1.289 30 10 IDEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OCC 1636816807 PUFLVHQPSPYHAG-INIZCTEOSA-N 426.539 1.441 30 10 IDEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1638124807 CNOIZXMINRXUJK-ISLYRVAYSA-N 425.894 1.666 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 1639976485 IRKASZJYZSJPFJ-LZWOXQAQSA-N 441.575 1.366 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 1641402853 JNHKFQTZBUKZQL-RDJZCZTQSA-N 449.577 1.354 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(N4CC[C@H](O)C4)CC3)CC2)cc1 1645891520 AWIXRLRTYJJJIO-FQEVSTJZSA-N 446.573 1.017 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)c1 1652958704 BBAOHPWNLQLZRG-UHFFFAOYSA-N 428.470 1.926 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)n(Cc2ccco2)c1C 1654264325 HQTXEDMOQCYXCA-UHFFFAOYSA-N 445.545 1.666 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 1656936970 ZETZODXPLGHZFQ-KRWDZBQOSA-N 425.551 1.414 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)c1 1658206809 MKKMHGLHUBBYHT-OAHLLOKOSA-N 430.505 1.484 30 10 IDEE C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660310140 SMIAHAWSTHSTOD-LZNRXBQRSA-N 430.574 1.026 30 10 IDEE COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1674352876 BPTCWGIRQJLCJB-IBGZPJMESA-N 436.534 1.016 30 10 IDEE COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NCC(=O)NCC#N)cc1 1686403307 TYRQNMXVJXJNLN-QGZVFWFLSA-N 431.493 1.638 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689986613 TZHVJFHTTMUPTG-WOJBJXKFSA-N 442.589 1.841 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1690099828 MWGMCDYPCLGGJG-UHFFFAOYSA-N 449.515 1.076 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)CC1 1690115628 NELQBASCKAXIFV-UHFFFAOYSA-N 433.560 1.683 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690124851 VTIIPPDYUMGUOQ-OAQYLSRUSA-N 436.560 1.725 30 10 IDEE C#CCSCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1690185632 BQCCDBBLBGYFSA-NRFANRHFSA-N 445.593 1.805 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690243834 QCDYQYAUOLVUIE-BUIAKZPTSA-N 430.509 1.020 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1690620305 WWSZOXRCTBCHAI-QRQCRPRQSA-N 440.504 1.773 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCOCC1 1705492518 RUXDIIMXFKHWSX-MOPGFXCFSA-N 438.580 1.631 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(C)COC2)c1 1705504267 ROSXEPWMMFCIRM-UHFFFAOYSA-N 436.516 1.607 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1705563497 YTIGGKLXCLGWRU-VQTJNVASSA-N 446.573 1.796 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1705581588 GEYYKQVMADFHDX-JPYJTQIMSA-N 443.548 1.617 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C(C)C 1705582774 JICYUXHMKHLXJB-UHFFFAOYSA-N 448.575 1.687 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CC(=O)N1CCOCC1 1705593577 DKFTVMNMNZINQP-UHFFFAOYSA-N 428.496 1.815 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCc2sccc2C1 1705621032 OSEZOCPQQHYTTI-UHFFFAOYSA-N 442.589 1.720 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)OCCc2sccc21 1705627290 BYJCEHXPTCQHJK-IERDGZPVSA-N 429.546 1.865 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1705737588 VWGKPNKKXQXSJY-XWTMOSNGSA-N 439.582 1.438 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705811471 YENJYMCJAIRDKF-FQEVSTJZSA-N 447.628 1.614 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1705895619 MRMZCGNEZNMEFI-UHFFFAOYSA-N 437.953 1.914 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C(N)=O)c2)C1 1705927808 GURIASZMHINUJN-UFYCRDLUSA-N 441.532 1.931 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCCOC2)C1 1705938409 XKOGOUCRISWKPE-OAQYLSRUSA-N 448.593 1.747 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCOC1 1706662467 ROVAZRLSEWFETE-QFIPXVFZSA-N 426.521 1.915 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1706937884 XPLAHNCYDMGRLM-OSCRUYLVSA-N 439.520 1.829 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708493631 VISRSNMNSNVFKI-VXHFXFQXSA-N 443.552 1.671 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1709900669 FYQSUEVQUVDJMR-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE CCN1CCN(c2ccc(Cn3c([C@@H]4CCOC4)nnc3N(C)C[C@@H](C)C#N)cn2)CC1 1710270653 IQGPXYMGQPNVFO-AZUAARDMSA-N 438.580 1.963 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1711234705 BETYBPSEXFXTLZ-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE COc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1711903740 BBTJKTHVLUKQBV-NRFANRHFSA-N 445.545 1.633 30 10 IDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1722356417 FWXGSMKEYRZZFY-DQRAZIAOSA-N 429.484 1.877 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1722383336 HDTLDJQXUSWBAS-KNQAVFIVSA-N 435.528 1.710 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1722400362 OECBYFSMXQOZDH-HXUWFJFHSA-N 434.544 1.915 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ccccc2)CC1 1722438338 WCFZMGAOTSVMBF-QUCCMNQESA-N 427.574 1.739 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(C)c(OC)c2)CC1 1722440546 KELCDJKFGBBEKW-UHFFFAOYSA-N 436.560 1.715 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)C2CC2)CC1 1722441233 OGBKQEFSYXQQOK-QHCPKHFHSA-N 444.580 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NC(C)(C)C)CC1 1722447455 IASZTOFZWUBOQV-QGZVFWFLSA-N 430.553 1.053 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1722466598 ALTXRTIJGQSMJF-QVKFZJNVSA-N 447.561 1.946 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722532778 WDPNCAKQUGHZBI-SFHVURJKSA-N 430.553 1.661 30 10 IDEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)C1 1722602522 DQIDPCAZJJNBJS-UHFFFAOYSA-N 431.566 1.873 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC(C)(C)C1 1722637678 JMIINNLWFNKHCP-UHFFFAOYSA-N 447.609 1.971 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1730421547 DJSSGGKHQRYDRE-UHFFFAOYSA-N 438.532 1.853 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCS(C)(=O)=O)CC1 1740696787 GOUSEOUTKRSKCB-UHFFFAOYSA-N 435.981 1.712 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(N)=O)c2)CC1 1740704940 XHBANFJPFAEGPR-UHFFFAOYSA-N 443.511 1.453 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc([C@H](C)O)cc2)CC1 1740707450 CFTDXTHVFRQVRN-KRWDZBQOSA-N 425.533 1.882 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)CCCS2)CC1 1740708469 QPOOFIUGRBCACA-QFIPXVFZSA-N 444.605 1.652 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1740716975 GBLZIMFOWPKBLD-SFHVURJKSA-N 434.587 1.546 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1740766463 HFSVUMMUWRMVRJ-MRXNPFEDSA-N 444.565 1.920 30 10 IDEE C=C(C)COCCn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1740787876 MPHJDLAPQADOPA-UHFFFAOYSA-N 426.568 1.455 30 10 IDEE C=C(C)COCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740798892 CUICJKIWBICONS-XZOQPEGZSA-N 449.596 1.824 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC(C)C 1740894118 JBVJVKVKSBODES-UHFFFAOYSA-N 441.579 1.299 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1740966269 QZHNOKYDULFJFP-RADWXHQJSA-N 433.553 1.495 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1740992949 PUINBGPKCKIHLC-MRXNPFEDSA-N 447.561 1.145 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1741001936 DXFFGUXWHJJFHF-CYBMUJFWSA-N 437.538 1.376 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1741034038 OREBIIYTMGETKS-MRXNPFEDSA-N 425.493 1.218 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1741371389 ZYFVDACKGGDWPC-SFHVURJKSA-N 443.577 1.962 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1741802386 HVBPGJPOOUXPDV-UONOGXRCSA-N 434.497 1.696 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1C[C@H]1C 1741925266 AUYXUHJCAMLRFH-DYEKYZERSA-N 431.522 1.079 30 10 IDEE CCN(CC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1746259635 MGNAVZZYZNTVTL-QGZVFWFLSA-N 434.522 1.360 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1747940293 QKBVJERUELKYKP-HXUWFJFHSA-N 433.534 1.493 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1748830620 ZLEKARQOABEFOH-DEOSSOPVSA-N 435.528 1.801 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1748875200 MXCJFXSMCAZNTH-IBGZPJMESA-N 433.516 1.647 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCS(C)(=O)=O)CC1 1748976976 BTKXJTNXWQMIQT-LJQANCHMSA-N 445.589 1.835 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC2(O)CCOCC2)CC1 1748984573 NYQXCBXLLMNUAG-UHFFFAOYSA-N 425.533 1.641 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@H]2CC)CC1 1748990568 YQBYKTMCAFVHAW-VQTJNVASSA-N 448.637 1.200 30 10 IDEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749354460 QKQKCBVWIABRAO-UHFFFAOYSA-N 430.557 1.470 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1749368904 SZYMAIMMVLOAAZ-HOTGVXAUSA-N 427.571 1.438 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1749413055 RNBDWTRPVIZYSH-HZPDHXFCSA-N 448.597 1.776 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749653109 WEINWJYTLYYZQP-HUUCEWRRSA-N 443.483 1.073 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749755755 LGTGNEYBWDTIOG-KSSFIOAISA-N 441.579 1.130 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750222875 IFNLVNDQXZCAFR-DRKIFQHWSA-N 442.545 1.170 30 10 IDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)C[C@@H](C)O2 1752321863 UGZWVTOCEFEXRR-STSQHVNTSA-N 441.532 1.988 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CS(C)(=O)=O)c1 1760120930 RBBUBKWBKFNQQC-MRXNPFEDSA-N 429.546 1.451 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1760187984 MOAMKFNNUVTANK-CABCVRRESA-N 432.493 1.081 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760189133 NZMMYVBMSXBDRI-QGZVFWFLSA-N 442.545 1.013 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760191346 FYDJCZDVKBXYKL-MOPGFXCFSA-N 445.589 1.742 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760372121 XSMWZWZDTATWPX-UHFFFAOYSA-N 444.923 1.633 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1760451042 YNTVYWSLGHPEJM-MRXNPFEDSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOc1ccccc1 1760521499 UXOXQAMBSKBZJB-UHFFFAOYSA-N 438.488 1.823 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@@H]1CCCO1 1761478632 NQPRXHLAKJOWFY-RDJZCZTQSA-N 440.570 1.214 30 10 IDEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)on1 1762678948 FPFRWLAEFVCKQQ-UHFFFAOYSA-N 434.504 1.959 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1764919245 FWURQZIVCIEHIP-UHFFFAOYSA-N 431.566 1.647 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1767598338 GVHRAITWPMTAAA-ZDUSSCGKSA-N 441.517 1.601 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1768243078 CAMPKUZBFSONLU-HNNXBMFYSA-N 446.533 1.528 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1771564815 WHGDLFBCIWROOK-HYEKCJMVSA-N 440.426 1.525 30 10 IDEE C#CCCN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2cccc(Cl)c2)CC1 1851074178 LCTAYJSJORATAK-GOSISDBHSA-N 444.022 1.908 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)CC(F)(F)F)C3)CC2)CC1 1857127620 UCTJOMVSRFBLMB-HNNXBMFYSA-N 428.455 1.788 30 10 IDEE C=CCNC(=O)[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861748431 VJGSXIYIIGIDFU-QGZVFWFLSA-N 443.953 1.562 30 10 IDEE CCC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868795677 MVBHKALCVOIGOT-QZTJIDSGSA-N 433.578 1.643 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871667041 PFUKBOMQWKUNIS-UHFFFAOYSA-N 439.564 1.780 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@](O)(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1950636472 RLCPDYWRDVQOFK-NZQKXSOJSA-N 430.549 1.695 30 10 IDEE Cn1nc(CNS(=O)(=O)CC2(C#N)CCC2)c(I)c1Cl 2174384922 YNJFUDKJXAQQPI-UHFFFAOYSA-N 428.683 1.791 30 10 IDEE Cc1cc(C#CCCO)c(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)s1 2237676488 IQZCWDUUTXUXDD-UHFFFAOYSA-N 446.550 1.896 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835644 ODTMRVBKXHXUGN-QWHCGFSZSA-N 439.343 1.464 30 10 IDEE Cc1cc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2248402057 RMBYWFQMVDBDCH-CQSZACIVSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2255601014 DBWHTJUWOSYSHJ-KRWDZBQOSA-N 433.358 1.775 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255624996 LAAZRHMAQNXOFZ-ZIAGYGMSSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627520 UKQPWZSAKUUFBP-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2255697112 DKEUVKMTSSTZAN-CYBMUJFWSA-N 435.334 1.244 30 10 IDEE Cc1nc(S(=O)(=O)NCCN(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255778031 MMOJVLQMUSAPKG-UHFFFAOYSA-N 448.398 1.438 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256612151 CHCCCOZBBNXEGX-HNNXBMFYSA-N 436.314 1.819 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256622238 FBVXFADIVURRBN-KGLIPLIRSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2)C1 2256795243 QUNUQZKDYRZPPA-HXUWFJFHSA-N 439.560 1.774 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2257491731 PLADLJBKSLPQLD-HNNXBMFYSA-N 435.330 1.305 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 2266758956 KIZPFRZAROUTDO-UHFFFAOYSA-N 446.357 1.730 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267005769 OPTQMOCIKKZJCM-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2267112402 GFSSPOTZLMERCF-AWEZNQCLSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267265489 GQMZYPQENWCKBT-OAHLLOKOSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267605278 LSFNHZSCRIBPDI-GOEBONIOSA-N 444.341 1.857 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2267875632 HSNQBTCHVKKURB-ROUUACIJSA-N 439.321 1.880 30 10 IDEE CS(=O)(=O)C1(C#C[C@@H](N)C2(O)CCC(NC(=O)OCc3ccccc3)CC2)CCC1 2367817474 KRCZDXJLNDDENS-GSVIPDFHSA-N 434.558 1.885 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1Sc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 9695028 QXVXEMLZHBJJPV-UHFFFAOYSA-N 425.474 1.468 30 10 IDEE CN(C)c1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 32688754 XLEBHGZVRXQIDL-UHFFFAOYSA-N 427.530 1.736 30 10 IDEE CNC(=O)CCSc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 59817960 ZDQORORHHLNOOI-RGVLZGJSSA-N 430.494 1.721 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@H]3CCCCN3CCN)nc2)OC1(C)C 204882388 IOGMNCVUWYBWDD-QGZVFWFLSA-N 438.403 1.143 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](CO)c3ccccc3)CC2)cc1 426900316 FWLVAZOOERJVMI-FQEVSTJZSA-N 427.526 1.851 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 446502703 CFBMRLOBHSWIHV-UHFFFAOYSA-N 443.529 1.921 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 464417188 NLELSQSHUMKYHK-UHFFFAOYSA-N 428.514 1.684 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)nc1 474351166 BMHUAGRVKRJAQU-QGZVFWFLSA-N 426.542 1.068 30 10 IDEE C=CCNC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 481310780 FNKFVWYBEZIYJO-UHFFFAOYSA-N 443.953 1.654 30 10 IDEE CN1CCC(N(C)CCN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505512456 BRFKUUYNUJYPOC-HXUWFJFHSA-N 440.548 1.248 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 515651404 JFKDWCBIMLAAPM-OAHLLOKOSA-N 427.482 1.725 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 533343680 XJZXPDUOQYBKCK-MRXNPFEDSA-N 444.479 1.665 30 10 IDEE C[C@@H]1CC[C@]2(CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)C1 541952624 TWZABOYSWQKGKZ-GCJKJVERSA-N 430.574 1.903 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2)c1=O 543659820 WFEFVVGFEIIBDX-UHFFFAOYSA-N 446.488 1.897 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C[C@@H]1CCCO1 590915711 LAUPXBBJULRZES-KRWDZBQOSA-N 441.553 1.435 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccccc1C#N 604002374 RHAOFOPOVWYGJO-UHFFFAOYSA-N 426.501 1.884 30 10 IDEE COc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 609679782 KTEXIQNNUTYOHI-FQEVSTJZSA-N 434.500 1.595 30 10 IDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCCO)c1 703972509 DZLBUVFRRKBZFR-MRXNPFEDSA-N 426.494 1.697 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 711709676 WDAKSASIOMKBBG-AWEZNQCLSA-N 427.317 1.669 30 10 IDEE CN(C)CC#CCNS(=O)(=O)c1c(N)cc(Br)cc1Br 717898358 KZGUFVPCTBLTDA-UHFFFAOYSA-N 425.146 1.637 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672336 IVEIIOQUWBQJAY-UHFFFAOYSA-N 432.509 1.491 30 10 IDEE CN(C)CCOc1ccccc1N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742408590 LCMIFFOUBWZODH-UHFFFAOYSA-N 429.546 1.473 30 10 IDEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 746740335 FBNIUFFBXSWKJP-YWZLYKJASA-N 427.501 1.818 30 10 IDEE COC[C@](C)(CO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 751542101 CHPPPHBTYUKDFO-WDUNQMNWSA-N 426.539 1.799 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)CC1 753017808 CZYCMEPVJYQVKT-LADGPHEKSA-N 449.555 1.293 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCC(=O)c3ccc(F)c(F)c3)CC2)o1 756697011 UABMSNAETVCWCK-UHFFFAOYSA-N 446.410 1.988 30 10 IDEE C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 760399697 AEMIUDWRDOOIOC-HNNXBMFYSA-N 441.575 1.960 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc[nH]n1 772659325 OUGIMZZPRULGTC-KGLIPLIRSA-N 437.497 1.455 30 10 IDEE Cn1c(=O)sc2cc(/C=C/C(=O)c3ccc(S(=O)(=O)NCC(=O)O)cc3)ccc21 773125157 MMICXLQNPNJZIV-YCRREMRBSA-N 432.479 1.859 30 10 IDEE C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 780206188 QQJQVPQQXAZNQR-ACJLOTCBSA-N 431.470 1.412 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCCCN2C(=O)COc3ccccc32)n1 789043264 ZTGQUJCDQOPJEJ-UHFFFAOYSA-N 425.489 1.490 30 10 IDEE CCOC(=O)C1=C(CN2CCN(c3ncccc3C#N)CC2)NC(=O)N[C@H]1c1ccco1 796261232 RARMEAAYVKCRNV-IBGZPJMESA-N 436.472 1.540 30 10 IDEE CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 798811391 BOKWBLODUHPQQY-SECBINFHSA-N 428.268 1.377 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N 813706694 RFWXWNVRKVOIFE-KRWDZBQOSA-N 435.550 1.577 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)cc1 1125136753 XJAJJMKPNCHOBA-SPJFCROGSA-N 430.490 1.365 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)c1 1130341286 FMXCDEUQDLWNIC-UHFFFAOYSA-N 425.514 1.136 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1135982479 ISGKSQLHWXSORN-ZWKOTPCHSA-N 430.505 1.852 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC2(OCCO)CCC(C(F)F)CC2)cc1 1157586065 CVRICCLQJPGJCX-UHFFFAOYSA-N 444.500 1.792 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)ccc1F 1166291545 PWNDKNYZJFEPSV-UHFFFAOYSA-N 433.505 1.895 30 10 IDEE C[C@]1([C@@H]2CCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)COC(=O)N1 1197891754 PAZWDXYGAZPUIZ-CBGDNZLLSA-N 431.562 1.667 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CCN3CCCCC3)cc2)CC1 1198758626 SYPHXZSTIYJQOG-UHFFFAOYSA-N 433.578 1.332 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1286291022 UYSOMDIHWVSHGC-CYBMUJFWSA-N 426.502 1.955 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286483504 NPYUAOLSCVWJFZ-HSZRJFAPSA-N 440.523 1.203 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286535503 BBZHSDONOKCLGN-UHFFFAOYSA-N 448.325 1.109 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1286713757 IEVBVXSUGIQVFE-OAHLLOKOSA-N 434.566 1.455 30 10 IDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286777199 KFMKJBVPMKXOOW-UHFFFAOYSA-N 426.521 1.926 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286814961 JBCAARAHYKMEPP-FUHWJXTLSA-N 445.545 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1286821466 MFPXGCOGTJZKCK-UHFFFAOYSA-N 437.591 1.902 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286923000 XOIJVRPBROYOJM-IGGDJGDASA-N 429.525 1.280 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)cc1F 1289454202 IBZCRYSNOPDZFS-RHSMWYFYSA-N 427.484 1.845 30 10 IDEE C=CCN(C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1291937384 XQKZMZFOIIJHQH-QGZVFWFLSA-N 441.981 1.899 30 10 IDEE C#CCCOc1ccc(C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1293032675 GGIUYDODMGKWKK-OAHLLOKOSA-N 429.498 1.754 30 10 IDEE COc1ccccc1OC[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1300619520 ALNIJFZNLZJKKB-BRWVUGGUSA-N 440.504 1.682 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCN(C)C)CC1 1300691323 VBLIPCBGFYLPAX-UHFFFAOYSA-N 446.983 1.941 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OCCOC)CC1 1300710437 AWQLKZKOAYUKRN-OAQYLSRUSA-N 425.533 1.958 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccccc2)CC1 1300711092 SIGPRJKVWSJFKK-PTLVVNQVSA-N 439.560 1.665 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300733513 KOQCLLOHIXKUOW-KRWDZBQOSA-N 441.561 1.596 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300753875 CQIVFGOBVGAWPV-QGZVFWFLSA-N 448.618 1.814 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300897783 VELJRBJCNDEWNP-RYRKJORJSA-N 432.525 1.269 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1301424035 GNOLRSHORYFBPF-HNAYVOBHSA-N 440.591 1.788 30 10 IDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1301452402 MACLOSGKUMHQEO-KRWDZBQOSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(Cc1ccnn1C)C1CC1 1301478535 MKJIPXIDLYTBMS-UHFFFAOYSA-N 435.492 1.130 30 10 IDEE COCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1301481182 BKUVOIJJQAFKRX-KXBFYZLASA-N 425.530 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301569023 NXSWOUQRHPTBOV-UHFFFAOYSA-N 433.582 1.736 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301624105 RVKXTPPSOADNJT-XHSDSOJGSA-N 430.596 1.545 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN(C)C(C)C 1302310950 GBTQNCSVFZABGM-IHPCNDPISA-N 431.585 1.519 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1302483211 DOUFAJLDHSSKQG-KRWDZBQOSA-N 444.561 1.761 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1303065491 DOKNETZAHAJITI-ZDUSSCGKSA-N 429.447 1.674 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccc2F)nnc1N1CCOCC1 1303095465 FIBQOWSOGGRPKW-VXPUYCOJSA-N 426.452 1.371 30 10 IDEE C[C@H]1CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1305048546 KBAODTVJEODNKA-STGLLQLASA-N 436.476 1.441 30 10 IDEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1307041681 CSEJFTLICCFJNV-PXNSSMCTSA-N 438.573 1.744 30 10 IDEE CS(=O)(=O)c1ccc([C@@H]2CN(C[C@H](O)COc3ccc(CC#N)cc3)CCO2)cc1 1307955615 CTQLBUICCFRPQV-UGKGYDQZSA-N 430.526 1.969 30 10 IDEE C=CCc1cc(CNC(=O)NCCS(=O)(=O)C2CCOCC2)cc(OC)c1OC 1311747316 GRFJUKCZNFDSRD-UHFFFAOYSA-N 426.535 1.825 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1316539767 GJMKISDXVSELGM-KRWDZBQOSA-N 434.566 1.611 30 10 IDEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 1321819912 XXDMBPNYXLKJET-QGZVFWFLSA-N 448.548 1.825 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1358960374 CUYDOPQTUIUTOU-IBGZPJMESA-N 430.578 1.699 30 10 IDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358996779 RFYFFGGUISWNMJ-VQTJNVASSA-N 429.590 1.898 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1359000325 ROVMLJJIQPTVFL-KRWDZBQOSA-N 445.593 1.700 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CCOCC2)C1 1359314378 ZQDHCUAJZWILGO-DLBZAZTESA-N 441.598 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(N2CCCNC2=O)CC1 1359334382 DACGYGUZEMGZJZ-UHFFFAOYSA-N 436.582 1.216 30 10 IDEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(C)(=O)=O 1359514905 CJUQSJZXGTXJLL-UHFFFAOYSA-N 430.578 1.814 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)C1 1359578825 UNLWWWGYVFSOJO-WCVJEAGWSA-N 445.524 1.056 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(OCC(N)=O)c1 1360192425 ACBPFEKLGOOSDP-UHFFFAOYSA-N 425.493 1.069 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1360339329 SJJISNOADAXOQT-GQWLDOHISA-N 434.516 1.675 30 10 IDEE N#Cc1cn(CCC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)c(=O)nc1O 1446490416 GAVSWGBSFZLNEE-GOSISDBHSA-N 433.472 1.493 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)cc1 1454704175 SBAAVRWZSKKAAG-OALUTQOASA-N 442.541 1.796 30 10 IDEE C#CCN(CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1)C(=O)OC(C)(C)C 1464166290 IWWSFOOODGMPSL-UHFFFAOYSA-N 428.533 1.561 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 1467823173 ZPPDBUDCDYGSIL-DLBZAZTESA-N 431.539 1.864 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)C2CCOCC2)CC1 1468210691 AQTJYJFMWFPBKD-UHFFFAOYSA-N 428.551 1.347 30 10 IDEE N#CCc1ccc(OC[C@H](O)CN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1473889169 QUGNOXMPTXHYSC-JFIYKMOQSA-N 432.464 1.934 30 10 IDEE CN1CCC[C@H](N2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2)C1 1474965922 FBZDKPBDDPZDLR-AWEZNQCLSA-N 445.358 1.860 30 10 IDEE CC[C@@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1497575511 NXIYCGAANCYAOE-PANRORFQSA-N 441.536 1.553 30 10 IDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1503590530 JPBNSXGQAOEZBI-SFHVURJKSA-N 446.577 1.697 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1507654145 WNCROIRORZRGBB-HZPDHXFCSA-N 443.598 1.883 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1507688459 ATFITBSJRMRZTF-PKOBYXMFSA-N 431.562 1.874 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC 1507702276 SNRXDCHUXSNXDA-KRWDZBQOSA-N 435.525 1.500 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1507773525 SBCSQCJJDWHEPB-XMSQKQJNSA-N 441.557 1.514 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1507981128 IYRIRGNIBKVRJZ-PKOBYXMFSA-N 448.593 1.758 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1508037843 DPGQSOOADGCTJE-OAQYLSRUSA-N 434.562 1.366 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(C)COCCO3)CC2)c1C#N 1511667487 XNPDWOHAMXOCLM-QFIPXVFZSA-N 442.568 1.621 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCCC1 1519318475 IXQCKRBJKLEXEN-PKOBYXMFSA-N 432.569 1.874 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1519402582 YEXCDAHUSWFREM-UHFFFAOYSA-N 426.477 1.559 30 10 IDEE C=CC[C@]1(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1519798637 FWLOYQCWUIYTEC-LRAJWGHMSA-N 425.526 1.905 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 1533854148 YDQLVNPKHNXBQL-UHFFFAOYSA-N 433.534 1.272 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539226491 ZFSUABLOGWYWMU-VQTJNVASSA-N 433.622 1.978 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1COCCO1 1539414652 XVPBCASICKCMRZ-INIZCTEOSA-N 438.488 1.485 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CC1 1539416535 OULKELCCDAMDKU-SFHVURJKSA-N 428.558 1.998 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1539429538 AFWQVESWTHVSNN-FDDCHVKYSA-N 445.539 1.804 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCC(F)(F)F 1539533109 KJTHGWKOTGCLNT-GOSISDBHSA-N 428.459 1.867 30 10 IDEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCS(=O)(=O)NC)CC1 1539836678 YRSZKTCBHDPLHL-UHFFFAOYSA-N 443.371 1.752 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OC)C1 1540892756 QYBXQBCZEKTDRR-IRXDYDNUSA-N 433.534 1.413 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1544085771 HYYKSUGYNRJYPL-KIJUOZEOSA-N 429.525 1.569 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1547883771 KAGXFKVFUDOTAK-NRFANRHFSA-N 428.493 1.406 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC[C@@H]1C 1555173590 UUZBXBPOWFZYSW-OXJNMPFZSA-N 436.520 1.852 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H]3CC[C@H]2C3)n1CCN/C(O)=C1\N=CC=CC1=O 1555624647 NRMPMTGBMFKQBJ-XOJOWECISA-N 430.509 1.517 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1555629353 QSQDBJHVOUQHOD-HNNXBMFYSA-N 430.513 1.285 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CSc2nnnn2CC(F)(F)F)C1 1557239968 HUWYVDGYWRFNDQ-AWEZNQCLSA-N 425.440 1.936 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1557933805 AJZQXIAFJIXHNU-CABCVRRESA-N 445.944 1.940 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)C[C@@H]12 1560007600 LTBUPGTZTHULHO-OTWHNJEPSA-N 446.529 1.300 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](C3CCOCC3)C3(CO)CCC3)C2=O)cc1 1564690798 YDHIZFJLEXPDDO-SFTDATJTSA-N 440.544 1.916 30 10 IDEE N#C[C@H]1CN(C(=O)NCCN2Cc3ccccc3OCC2=O)CCN1Cc1ccccc1 1565336411 ACWITYLAXDHDQL-NRFANRHFSA-N 433.512 1.827 30 10 IDEE COC[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1584367167 DBHCRYMHKUMEOC-GOSISDBHSA-N 437.562 1.843 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1587870211 WXUBYJOWTJLKAN-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587999066 PGOQYFVSVAJKHY-OALUTQOASA-N 428.562 1.538 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588034428 FTZWQMCUOOEZQA-IRXDYDNUSA-N 439.582 1.763 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1588223763 FXJGAKURXOROEI-PKOBYXMFSA-N 436.491 1.175 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1588975910 NBNWXMPSXDJZKK-UHFFFAOYSA-N 446.581 1.186 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)Br)C1 1595722533 KSHNPNSDMLMDRS-ZIAGYGMSSA-N 431.356 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595784129 CZTGAHKGVUEIAD-QGZVFWFLSA-N 446.577 1.634 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2OCCC2(C)C)CCO1 1596642671 ZGTNOXMNHBBRAE-PMACEKPBSA-N 438.532 1.973 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)cc1OC 1615006180 GVDSRVLTBFTKNH-MRXNPFEDSA-N 428.493 1.559 30 10 IDEE O=C(Cn1ncn2nccc2c1=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132832 ZJVYOMYPBZQKEC-YUMQZZPRSA-N 445.270 1.520 30 10 IDEE CCCCc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 1618171842 PGKBGXMWEBLLRA-KGVIQGDOSA-N 429.542 1.779 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1623494378 HUQQYSOHLUUAOI-INIZCTEOSA-N 444.513 1.374 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C#N)CO 1624090840 MJWQHPNFIRAJJQ-ZANVPECISA-N 426.347 1.394 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 1627449529 DCAGHFRNKQKEMO-KRWDZBQOSA-N 440.504 1.840 30 10 IDEE COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)CC1=O 1629137065 VGJLINUGZVOBGE-KRWDZBQOSA-N 437.338 1.159 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 1632960219 DLSGLLUZEVHTQM-UHFFFAOYSA-N 432.527 1.226 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1635513570 HEAHNHQFRNUHAY-UHFFFAOYSA-N 443.525 1.919 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C)c2I)cc1 1635687413 IUZXPSQSUOMLID-UHFFFAOYSA-N 446.270 1.741 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 1640925006 YHRQVOJWPHIWMI-OAQYLSRUSA-N 436.530 1.245 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 1652002341 KIKQHBHLHWUOKT-UHFFFAOYSA-N 425.466 1.917 30 10 IDEE CCOC(=O)[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCC1(F)F 1654391092 SFWGQIVISZBLRU-HZPDHXFCSA-N 440.516 1.977 30 10 IDEE C#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1669084909 SCFBGGLXGALYHC-UHFFFAOYSA-N 428.514 1.883 30 10 IDEE Cc1cccc(NCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1676283328 QJGWJGOFBOOGRS-UHFFFAOYSA-N 428.518 1.390 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)CC1 1683591357 CXSVOMRZWAIDSK-UHFFFAOYSA-N 427.505 1.343 30 10 IDEE N#Cc1c(CCCNC(=O)NCC[C@@]2(O)CCCOC2)nn(-c2ccc(F)cc2)c1N 1683715900 LCNSTJYUOCTLQT-NRFANRHFSA-N 430.484 1.629 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)C1 1685267232 UPPPQXULVBBHSG-VQFNIZELSA-N 433.549 1.637 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(S(C)(=O)=O)cc1 1689869028 YYOXZALRITYSEK-IEZWGBDMSA-N 432.546 1.912 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690182826 HGYAKZVCQSDGCD-KRWDZBQOSA-N 436.607 1.520 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(=O)OC)C1 1690717527 IUKZCJRAWNZHPX-OAHLLOKOSA-N 449.489 1.453 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ncc(Cl)n1C 1690724178 JNTSEOUKNOETRV-ZDUSSCGKSA-N 428.946 1.406 30 10 IDEE CC(C)CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1692339407 NKMLGUFLLDVFQY-XOMICKMZSA-N 441.536 1.771 30 10 IDEE Cc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c(C)c1 1693077153 AQOPHHVNRXTPQV-RTBURBONSA-N 429.546 1.769 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1705550187 TXSCGQRRUPYGMD-UHFFFAOYSA-N 428.518 1.350 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705569644 IYZLGMLMOZOUHD-ICSRJNTNSA-N 444.605 1.621 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705612828 PUQJLHXHCVNBLY-QZTJIDSGSA-N 441.557 1.693 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1705735434 QLVQQEGIDFDWIW-LJQANCHMSA-N 426.521 1.854 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705907292 HFNYECSVKXKQIU-SFHVURJKSA-N 431.562 1.379 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1706073036 JVXVXTXTJDJHDN-VLIAUNLRSA-N 444.565 1.312 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1Cc1ccc(C#N)o1 1706609133 VDBFOTPWRTUDQJ-UHFFFAOYSA-N 434.504 1.953 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)n2)cc1C 1707521892 GOAYVJQNSHDGCP-LJQANCHMSA-N 449.519 1.637 30 10 IDEE C[C@@H]1CCCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1708084631 CCLSPXRAVDWRMM-RTBURBONSA-N 429.569 1.641 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1711589937 BLFHOLYORKOACV-IFXJQAMLSA-N 436.538 1.797 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H](C)O1 1712302941 BOCLZPZUNGJRBV-VQIMIIECSA-N 442.520 1.447 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1722276214 GIGHYKUVJQQJDR-FOIQADDNSA-N 449.602 1.521 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1722359995 BWCUUUDJDAXPLW-QGZVFWFLSA-N 444.561 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722730102 IOELSFLQTGRSDQ-IBGZPJMESA-N 448.593 1.923 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1723678176 CQBZIPSQQRXDES-YLJYHZDGSA-N 449.533 1.455 30 10 IDEE C[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C(F)(F)F)O1 1726688753 WOZRTFRVCXHGCW-KPXLXTNDSA-N 440.426 1.838 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1729375865 MSMQUFWRVVETLP-UHFFFAOYSA-N 435.536 1.929 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 1731017918 DJYONMBVJBZEPA-UHFFFAOYSA-N 443.577 1.431 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)CCOC)CC1 1740692060 GIQXXAGOHNFKLU-QHCPKHFHSA-N 441.532 1.259 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740969891 XJZMGGKOQRKOTA-QFBILLFUSA-N 438.532 1.899 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1741801702 FDVJCJJHDYWYPX-OAGGEKHMSA-N 447.540 1.603 30 10 IDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 1748015041 BQQDZKCEAIBBRW-LJQANCHMSA-N 439.545 1.806 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1748790194 FXZOKKFEBIMJNR-IBGZPJMESA-N 427.574 1.349 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCC1 1748876551 KRLZBXZESJHZHR-UHFFFAOYSA-N 429.532 1.870 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1748892132 ZWFIVECJXYXZHK-UHFFFAOYSA-N 429.528 1.444 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749026774 PSFYXMYOGKPAKW-INIZCTEOSA-N 434.953 1.701 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)COC(=O)N2 1749049761 QJWLDHFYSXCQIL-HOTGVXAUSA-N 435.550 1.447 30 10 IDEE C=C(Cl)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749284860 PQACMWXIXAAMDX-HXUWFJFHSA-N 449.943 1.658 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCn2cc(C)nc21 1749489657 ZCPREXFNVUJWOS-IRXDYDNUSA-N 449.581 1.316 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC1CC1)C1CCC1 1749734764 MGQRXRIILJCPAX-MRXNPFEDSA-N 442.607 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C(C)(C)C1 1749735712 VDOLTTBPZGDTTE-HOTGVXAUSA-N 444.623 1.653 30 10 IDEE COCCCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1749741871 OHXBNGJEADRKGA-OALUTQOASA-N 440.504 1.422 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(OC)c1 1750006927 JKMPTQVQZMBUCL-RDJZCZTQSA-N 431.493 1.796 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1760138504 ZOQVIUGGEYGXHZ-PXNSSMCTSA-N 437.566 1.031 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760180910 MZBSOSBEMMOFAC-BBRMVZONSA-N 436.456 1.119 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1760180953 NLNKWFRHLZDKKB-NVXWUHKLSA-N 438.575 1.739 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1760206206 UBEXBYNYKQVSNZ-UHFFFAOYSA-N 448.531 1.367 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1760247842 RKVBWJZOQSHUDX-UHFFFAOYSA-N 440.460 1.001 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2c(C)noc2C)n1 1760252164 KAYTUUMGYVNDDF-SFHVURJKSA-N 439.520 1.918 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1760260082 LHIALTMFYFWVMM-SFHVURJKSA-N 425.512 1.238 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)CC1 1760261703 VOVJNLIWFJGZFQ-UHFFFAOYSA-N 446.449 1.073 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1760352038 NIASYFSLFSJIQT-FUHWJXTLSA-N 441.598 1.734 30 10 IDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)CC1 1760355379 HRMBTACLBKZNHO-UHFFFAOYSA-N 447.565 1.157 30 10 IDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1760371897 PTRVZYGTQTUUAN-QGZVFWFLSA-N 447.971 1.756 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760432816 NBDBCAPDNMDBRA-ROUUACIJSA-N 440.614 1.403 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1760504931 GMQMWBFBNQMCDS-APWZRJJASA-N 434.562 1.921 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2ccc3c(c2)OCO3)nnc1[C@@]1(OCC)CCOC1 1760527936 NACFZCNIWMCFEN-JOCHJYFZSA-N 443.504 1.598 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCc2cccs2)CC1 1760530974 YUNHDFCPGVODNL-GOSISDBHSA-N 430.578 1.858 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C1 1760538950 WYXRKZFMKZPSJZ-VQIMIIECSA-N 428.555 1.145 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1760700315 FSSVULBVNGVVGP-CKEIUWERSA-N 430.534 1.353 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1760832817 GUNJQCHWCIJTEK-FQEVSTJZSA-N 438.532 1.927 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCC(C)(C)C1 1761482290 HKHDQKVWFWHFOK-KXBFYZLASA-N 441.577 1.452 30 10 IDEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1765562649 PCGCCQSGNCQQOA-NRFANRHFSA-N 427.532 1.595 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1767916549 HCAYBHZVFQQDMJ-AZYRPFHASA-N 443.529 1.639 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1770356198 MGNMGVGMVCOFKQ-NRFANRHFSA-N 444.561 1.763 30 10 IDEE C[C@@H]1C(=O)N(C(=O)C2c3ccccc3Oc3ccccc32)CCN1S(=O)(=O)CC#N 1854693379 ADCSSXDVYSVZIR-CQSZACIVSA-N 425.466 1.837 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)CCC)c3ccccc32)CC1=O 1857140963 BLPWPDMEKCQJBS-JKSUJKDBSA-N 433.530 1.777 30 10 IDEE C[C@H](O)CNC(=O)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932292 ZINLIYHKSDKWCU-YOEHRIQHSA-N 433.555 1.524 30 10 IDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1870098004 INJNSXZZAZXOCU-UHFFFAOYSA-N 427.402 1.806 30 10 IDEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN1CCN(C)CC1 1870328437 AFRPGNJEZRLEBJ-UHFFFAOYSA-N 441.528 1.783 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)CCCC)cn1CCNC(C)=O 1870515938 SRCCQKSLNFWJQY-UHFFFAOYSA-N 432.565 1.796 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCC#CCN(C)Cc1ccccc1 1889958210 QYRADDFPVWJKQY-FQEVSTJZSA-N 444.557 1.696 30 10 IDEE COC(=O)[C@H](CC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2010401946 JWPZLZUXIRQMCK-AWEZNQCLSA-N 426.319 1.993 30 10 IDEE C#CCn1ncc(N[C@@H]2CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(Br)c1=O 2178148780 WJHQKQSBQCTDML-YUTCNCBUSA-N 439.310 1.685 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243371740 INQSYBGEQORIHR-LLVKDONJSA-N 427.332 1.058 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255828320 CZMVKZBFRAFAON-CQSZACIVSA-N 434.346 1.849 30 10 IDEE C=CC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2255839671 BQEHGLYCZHCTTJ-UHFFFAOYSA-N 430.314 1.681 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCCNOCc3ccccc3)c(O)cc2O)OC1(C)C 2256016918 BLUYTSFCYHKUSZ-UHFFFAOYSA-N 428.294 1.848 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256623196 POXYHRSEHLKNIK-CABCVRRESA-N 433.314 1.859 30 10 IDEE CN(C[C@H]1CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2267266081 NEIZIXNHLXNSDJ-CQSZACIVSA-N 449.361 1.586 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 2267275346 MWKMJDSXVIHYAD-KGLIPLIRSA-N 447.345 1.196 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492824 DNCLRKSNPSDNFQ-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE CC1(C)OB(c2nc(=NC(=O)c3ccc(Br)cc3N)s[nH]2)OC1(C)C 2271311448 KJJHTNHLEBUCRH-UHFFFAOYSA-N 425.117 1.856 30 10 IDEE C#CC[C@@H](CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2286052073 TZVGQOHTHSSHQD-RBUKOAKNSA-N 436.530 1.766 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2351716950 CLYYYWGRVPRQSJ-OAHLLOKOSA-N 449.357 1.807 30 10 IDEE C=C[C@@]1(CO)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364187050 UIBWUTIJBXXYDL-OAQYLSRUSA-N 436.530 1.422 30 10 IDEE N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1O 1650949 QLTDCWRKCNVDTI-UHFFFAOYSA-N 437.393 1.805 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)c(OC)c1 21315581 PXTQJUWBSMIILL-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 57830768 XWNKWQYPCVEXLV-IBGZPJMESA-N 434.968 1.931 30 10 IDEE N#CCC1(CNC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 431156615 MPGSIBDFGKOCAZ-UHFFFAOYSA-N 428.308 1.612 30 10 IDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 435148593 BWEKALZQJVYYOH-UHFFFAOYSA-N 440.451 1.944 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 438957345 HKALALDMDQXHKI-TUVASFSCSA-N 446.403 1.691 30 10 IDEE N#C[C@@H](NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 463307149 HKYYMNDYKQHHDU-ZJPZJRRFSA-N 432.274 1.682 30 10 IDEE COc1ccc(C(=O)CCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 471705660 LBFZNLOTMAZIHC-UHFFFAOYSA-N 425.489 1.929 30 10 IDEE N#CC1(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCN(Cc2ccccc2)CC1 479308154 OJASAMJPGFGGAN-QCFAMHMHSA-N 436.512 1.213 30 10 IDEE Cc1ccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 480737124 NISZFKUWOLWGHC-AWEZNQCLSA-N 427.548 1.329 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 513784294 OPDAXXXCNYJBDA-UHFFFAOYSA-N 433.555 1.729 30 10 IDEE CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 537250920 MNMDUMSBQMKWFY-LEWJYISDSA-N 429.540 1.867 30 10 IDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 555267595 BPIBVZIVGJATGZ-UHFFFAOYSA-N 440.548 1.649 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 558964487 DACFXWHRXJXJCX-GOSISDBHSA-N 449.581 1.305 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2csc(Cl)c2Cl)c(=O)n1CC(N)=O 583077588 RPCPMNMMLLGNSS-UHFFFAOYSA-N 442.349 1.636 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(F)c1 585685246 HUIVEFVBUZYWDA-FQEVSTJZSA-N 428.439 1.642 30 10 IDEE Cn1nncc1Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 685908169 KDBLFEGXFXQQJY-UHFFFAOYSA-N 443.479 1.461 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 725764110 INUMENFKXIBKIL-UHFFFAOYSA-N 437.525 1.255 30 10 IDEE CC(C)COc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1 730252136 MYUDEKMAVZTAHC-UHFFFAOYSA-N 438.553 1.303 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)cc1 744560905 IOYCNCOJEMXCGB-CQSZACIVSA-N 432.502 1.536 30 10 IDEE COc1ccc(COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)cc1C#N 746954874 UIFSTWFTEGJSGN-SGTLLEGYSA-N 438.889 1.991 30 10 IDEE CON=Cc1ccc(C(=O)NS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cc1 747312249 HGVWMQNGBIKRBM-UHFFFAOYSA-N 429.458 1.493 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)/C=C/c3ccccc3)CC2)n1 760854169 QGGLSAOOSCIINO-MHWRWJLKSA-N 425.514 1.582 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cn1 763712159 LZEWMXUYAQTFFM-QFIPXVFZSA-N 427.424 1.471 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 769106208 PTSHGUBJBHIYBH-MGPWXQLLSA-N 440.422 1.682 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)ccc1F 773967165 KJMNHRBLDAFANE-DZGCQCFKSA-N 427.498 1.887 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C[C@H]2COC3(CCOCC3)O2)C1=O 776743082 QZEKJPNVBBPFMH-DOTOQJQBSA-N 433.530 1.985 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)ccc1F 777853583 OLPYKBGBYFLLQV-UHFFFAOYSA-N 433.509 1.853 30 10 IDEE C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 783633930 QFQHVQSWQLAXDA-CZUORRHYSA-N 429.454 1.594 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 786785464 XQXAZHZKBCDAPJ-INIZCTEOSA-N 446.552 1.194 30 10 IDEE COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 802378479 HONHTKGSAHOUHX-KRWDZBQOSA-N 445.545 1.746 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCO3)n2Cc2cccs2)n1 812362571 DRPIMMXYMMAPGV-LJQANCHMSA-N 442.545 1.959 30 10 IDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1 813745376 IELRLXXAFXYKRW-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 816756120 QGTLGJUYEFPAFP-IBGZPJMESA-N 429.498 1.544 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCN(CC)CC2)cc1 873243110 UUFOPXLYNWLLRZ-UHFFFAOYSA-N 426.542 1.992 30 10 IDEE N#Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 915996264 NSAQLCJZGSRWIQ-UHFFFAOYSA-N 441.538 1.756 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2C1=O 916651624 ACAFGNBZURXIIX-UHFFFAOYSA-N 427.438 1.546 30 10 IDEE CCN(CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C)S(C)(=O)=O 917661499 FNEBVAMLXYDDBT-MRXNPFEDSA-N 440.591 1.734 30 10 IDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 1135982314 GOLPVIBVOSQNFO-GOSISDBHSA-N 432.477 1.743 30 10 IDEE CN(C)C1CCN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1149004113 LSZDKQGTVLNMOY-FRIYVGAWSA-N 433.597 1.915 30 10 IDEE N#C[C@]12CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1157885019 NJVZIFYIIOURIS-XHDPSFHLSA-N 428.264 1.297 30 10 IDEE COC(=O)[C@@H](Cn1ccnc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1161210593 IMNNOSVZYLIVSW-KXSVDRQTSA-N 431.493 1.328 30 10 IDEE N#Cc1cc(CN2CCOCC2)cn(Cc2ccc(S(=O)(=O)NC3CC3)cc2)c1=O 1166220968 HRWGQESPRQVNNN-UHFFFAOYSA-N 428.514 1.041 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(c2ccc(F)cc2C(N)=O)CC1 1174836251 MWMVJRIDTXPWDJ-UHFFFAOYSA-N 447.474 1.743 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)n1 1231317594 LISIZXAOTYEMJV-UHFFFAOYSA-N 443.508 1.768 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1 1251290783 GASUSUHCQOUNDY-UHFFFAOYSA-N 434.543 1.680 30 10 IDEE CNC(=O)[C@@H](CNC(=O)c1cc(C#N)c(SC)nc1O)Cc1ccc(OC)c(F)c1 1277216115 ZNPWNIQXJPRCTC-CYBMUJFWSA-N 432.477 1.863 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286386385 ZGLVCBRWMNZHTD-SLQAJWMNSA-N 448.614 1.955 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286389861 RWYAYSUFEDRNSR-QGZVFWFLSA-N 425.518 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)CN2CCOCC2)CC1 1286486536 OAJFZCUYIZIAER-OALUTQOASA-N 430.597 1.726 30 10 IDEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286713110 UPLHAMDXUHUYST-UHFFFAOYSA-N 437.541 1.682 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)C1 1286810044 XTHWZLLBSWMGQM-UXHICEINSA-N 445.612 1.284 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286819117 APKMYZLKLGMTDP-GOSISDBHSA-N 434.566 1.475 30 10 IDEE CC(C)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCCC1 1287618279 PXZSZZOFPSAXFS-QGZVFWFLSA-N 425.489 1.528 30 10 IDEE 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C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(C(=O)CC#N)CC1 1559846090 DKZPSVQKZJEUOX-KRWDZBQOSA-N 447.561 1.246 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3cc(C(=O)OCC)cn3)CC2)c1 1569285686 KUCIKSVFPQJXEZ-UHFFFAOYSA-N 444.513 1.449 30 10 IDEE C=CC[C@@H]1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1586894711 RYGPCZDXPOFQKW-OAHLLOKOSA-N 431.514 2.000 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccn2)CC1 1587879025 NGSXWIYVEFWXPA-UHFFFAOYSA-N 436.545 1.800 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1588030660 ZHDJYMKNDZBBEL-KQQSKNTNSA-N 428.518 1.518 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588053669 HBGDYTRZFULMBJ-MSOLQXFVSA-N 437.610 1.387 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1588139625 QHQDRGSKDJZVOE-HNNXBMFYSA-N 435.600 1.892 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1588228888 NARKERIQDSWBMP-INIZCTEOSA-N 445.511 1.527 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1593660662 RGPHFWYATFRSCT-GOSISDBHSA-N 443.596 1.546 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593895446 PSXLUJMJSQCHEH-HXUWFJFHSA-N 429.912 1.831 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ncccc2F)CC1 1595543923 BONBWIJSQPQXSC-HNNXBMFYSA-N 430.484 1.666 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](CO)CC3CC3)nnc12 1611592235 GVRVBLGEUUIJEZ-HNNXBMFYSA-N 427.530 1.847 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1614958736 ZGWOOPGORBLRJR-MJGOQNOKSA-N 435.532 1.695 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)NC2(C#N)CC2)c1=O 1633595804 NCDDRJYRKOCCLP-UHFFFAOYSA-N 425.283 1.921 30 10 IDEE CCOC(=O)Cn1nc(C)cc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1640551870 YKZHSILGLXDRPW-UHFFFAOYSA-N 433.490 1.212 30 10 IDEE C[C@@](O)(C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccc(F)c(Br)c1 1643403011 CXTYANXCCHZFSR-KRWDZBQOSA-N 438.257 1.866 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)ccc1F 1645354499 XLPDTDRSWQSQPE-HNNXBMFYSA-N 449.508 1.493 30 10 IDEE CO[C@@]1(CO)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1647428135 APSUUZLSCFUBIE-HXOBKFHXSA-N 430.549 1.829 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 1650849069 SIALKNMFVVKBRM-UHFFFAOYSA-N 426.272 1.697 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3nc(C)cc(O)n3)C2)ccc1F 1651886191 FNPRZXZREZZSTN-CQSZACIVSA-N 435.481 1.103 30 10 IDEE N#CC1(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCOCC1 1653634047 FQQDQOCZBJAMOQ-QFIPXVFZSA-N 446.507 1.936 30 10 IDEE CCS(=O)(=O)Nc1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1654811637 KZAFYVGWANYUNJ-UHFFFAOYSA-N 431.470 1.966 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@@H]2c2ccccc2)CC1 1656274574 IVIKIFPJYJJGSY-NHCUHLMSSA-N 432.590 1.541 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1672020986 WHDVZCWBSOWPEH-QUCCMNQESA-N 433.578 1.540 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 1681147940 VRJGDTNNAWYLJH-UHFFFAOYSA-N 449.360 1.305 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1683129711 CXMQCRSRPWFEDB-MRXNPFEDSA-N 429.908 1.756 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC#C[C@H]2CCCCO2)C1 1684029120 GXELLDQFOQKSGX-IAGOWNOFSA-N 443.566 1.282 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@H](C)C1 1689848234 QZRQONARJZGJGR-YESZJQIVSA-N 428.537 1.963 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1689853438 SPMODBBIUGRWDS-XKGZKEIXSA-N 443.573 1.799 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689927842 DFLHWVBWWSWIQD-IHPCNDPISA-N 441.580 1.022 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NCC 1690006163 JQKDCCCNYLAFJN-UHFFFAOYSA-N 441.557 1.584 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCCC2=O)CC1 1690128523 DZIKLHDUIHBRQE-UHFFFAOYSA-N 441.605 1.792 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690154571 RXPQEPDTBGDEAF-OAHLLOKOSA-N 444.527 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690243020 GKBKPLWLXSCDJR-CUSZFKRNSA-N 434.566 1.974 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cncn2)CC1 1690316951 PQSMOSSHKFULLJ-UHFFFAOYSA-N 428.541 1.501 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690658876 CIIPAYFPNCEFMK-ZDUSSCGKSA-N 430.475 1.989 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc21 1690724372 NKEQNENQPRGARG-INIZCTEOSA-N 436.559 1.475 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCSCC1 1690724433 OPLILKACQOUPAZ-QGZVFWFLSA-N 436.559 1.945 30 10 IDEE CC(C)(O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1691352702 GCAQWRQIHMLSNO-UHFFFAOYSA-N 438.536 1.268 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOCCc1ccccc1 1692544253 MTGATRAGVUDKFU-IBGZPJMESA-N 426.521 1.794 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1692568694 OQTMRALCZCCIBF-RBUKOAKNSA-N 425.512 1.994 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CC1 1692850580 XOPMTTRJGVHBLD-UHFFFAOYSA-N 439.476 1.842 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1695498355 CPBGEXZGMAYPFT-HXUWFJFHSA-N 448.531 1.705 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1695498423 DFQMTUJETPYNOD-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)CC(F)(F)F 1696811199 HDTHRRJEIXGEHF-INIZCTEOSA-N 448.453 1.525 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1697775192 JXRWZRRAZYSQQN-ICSRJNTNSA-N 428.512 1.960 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1697781291 IGBJSZFDODQEEI-YRXWBPOGSA-N 447.536 1.908 30 10 IDEE COCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1698183674 BWAKTRPWWJYXLB-LJQANCHMSA-N 440.504 1.316 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccccc1 1705500060 FLSCIPHKLVWXOC-KRWDZBQOSA-N 441.561 1.576 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1705551369 MNNPMRYNQKZIQF-HNNXBMFYSA-N 429.612 1.602 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1705566083 XNADJDJRAYOUHZ-KRWDZBQOSA-N 440.529 1.874 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1705566718 QQVJAYANCSAERX-KRWDZBQOSA-N 431.566 1.094 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705567655 XYHIWMDIAIWICR-IBGZPJMESA-N 433.578 1.431 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1 1705593928 YTAGBHKBXVHXLB-UHFFFAOYSA-N 437.500 1.284 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1705625456 KZQVESIVHPPCFH-PGRDOPGGSA-N 427.480 1.814 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[S@@](=O)C(C)(C)C)CC1 1705641464 HDFRNSJWYZRQSG-GDLZYMKVSA-N 434.635 1.936 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSCC(C)C)CC1 1705647685 LAXVKJDDCXKEMH-SFHVURJKSA-N 446.621 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCC(C)CC2)CC1 1705648722 XEAYJFNSYIMYHU-NRFANRHFSA-N 442.608 1.870 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1705702587 ICQVVGMLFFEHHH-QUCCMNQESA-N 426.521 1.616 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1705902248 AGBIEPQCVXCELK-QZTJIDSGSA-N 440.548 1.808 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705964547 LOSGGXYDQOPATG-UAFUQJIBSA-N 441.536 1.062 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1706074651 BVWWURDUXAGNIX-LTIDMASMSA-N 443.531 1.171 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCCO 1706619474 DPWFXUFLTLGVOU-UHFFFAOYSA-N 426.525 1.172 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C 1707550901 IAZRMXBFKNRIRT-HKUYNNGSSA-N 445.545 1.637 30 10 IDEE CCNC(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CCC1 1710321718 HAUKMRAACKQOHL-UHFFFAOYSA-N 427.553 1.837 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1712525620 PNGXKVXOBCSJBP-SFHVURJKSA-N 447.584 1.296 30 10 IDEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722325632 AYFAAGOQDJTERI-JKSUJKDBSA-N 440.479 1.118 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722367783 OGJXQRGCWDKCEB-MOPGFXCFSA-N 433.553 1.909 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1722369941 JAZTYVHDGJWDMR-ZWKOTPCHSA-N 437.610 1.562 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCCOC)CC1 1722437010 IXWRRCPZTFHOKH-LJQANCHMSA-N 426.521 1.006 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(OC)CCOC2)CC1 1722440220 GFUQDQRISWPPMD-DEOSSOPVSA-N 439.560 1.633 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1722654630 RGSVABNXPSNFMA-DEOSSOPVSA-N 449.559 1.645 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccs1 1722689936 BWNDTFIMXKOQBH-QWHCGFSZSA-N 426.568 1.449 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722689971 CCWOSCJAWOUFGC-CVEARBPZSA-N 428.541 1.491 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722736916 MYPYYCISWSXKHO-QGZVFWFLSA-N 437.566 1.179 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1726674329 AVZHFPIWXHFQQF-STGLLQLASA-N 425.518 1.808 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1727171745 BNHIJFLTXQSKPT-LSDHHAIUSA-N 439.586 1.216 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@H](OCCOC)C3)n2Cc2ccc(C#N)o2)CCOC1 1728798914 SZXSWLXPYRBPTH-DYESRHJHSA-N 431.493 1.685 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1730955418 JNBIGPSTWSOGMO-MANSERQUSA-N 432.569 1.851 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@@H]1F 1731143066 IKGPILISXQYSAR-PBHICJAKSA-N 438.467 1.676 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740560548 LCMKBGFCXMVDMD-IIBYNOLFSA-N 432.546 1.079 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1740586483 CFELZQMVFKGEJI-UHFFFAOYSA-N 427.505 1.846 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1740586858 PPAIFAWADQMQQK-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC 1740683744 NOCCRQQILALBBM-UHFFFAOYSA-N 430.534 1.072 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1740716401 QMSWGNQXOIPNCY-OAHLLOKOSA-N 440.529 1.812 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1740759032 FARYRFFPHAYSIX-MJGOQNOKSA-N 425.599 1.930 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740867261 CMOKEJZXPPMINI-KRWDZBQOSA-N 435.536 1.857 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740887774 CPKIHFCQHGPCSF-HNNXBMFYSA-N 432.550 1.529 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740963836 YMUKOXSOXPGYJF-JOCHJYFZSA-N 440.504 1.499 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)nnc1C(C)(C)C 1740993526 DNFHDVZSXCICJD-UZLBHIALSA-N 426.583 1.951 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740995316 HUBZEQMSRKGTSQ-UHFFFAOYSA-N 444.627 1.196 30 10 IDEE Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742820901 VNLUOGWZYDTBGF-JFVSRZABSA-N 428.415 1.661 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCCCCO 1743232428 DVZWNYNXFSUKBI-QGZVFWFLSA-N 433.520 1.879 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn[nH]c1 1748650697 CMFNKHDYJOTWFZ-OAHLLOKOSA-N 427.534 1.619 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1748719442 XZKZUXOGDGDBQR-XKGFGPFHSA-N 436.578 1.756 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748816345 ZHWNLVBCPCFBGA-MSOLQXFVSA-N 427.530 1.968 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCNC(=O)c1cccc(O)c1 1748852880 PFHNPKRBZIATDT-UHFFFAOYSA-N 428.496 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)CCOC)CC1 1749009341 IGUYPFGQGDYUNZ-IBGZPJMESA-N 432.569 1.064 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1749119869 XTSUBUABSDOWDK-BZSNNMDCSA-N 440.614 1.400 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)CC(F)(F)F)CC1 1749329588 PRFYUCJMLKXHAP-ZDUSSCGKSA-N 438.520 1.785 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCCS(C)(=O)=O 1749604416 UEHNQTLVCSBREA-UHFFFAOYSA-N 425.942 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749655308 HFPBUESPHFSVAD-HSZRJFAPSA-N 448.531 1.600 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 1749669740 JQSFBQFZCZLBGS-WMZOPIPTSA-N 426.496 1.740 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)c1 1750193178 NCDVHHUTTASPHN-SFHVURJKSA-N 442.545 1.339 30 10 IDEE Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)s1 1751864382 QEAHFJDUBVFZNY-VXGBXAGGSA-N 426.572 1.277 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760145353 NKONNIBRAGZMDD-UONOGXRCSA-N 436.504 1.375 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760170355 ZCVRYNLAOUEEOZ-KRWDZBQOSA-N 439.545 1.482 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1760175745 QGEHARNLSOACKI-SFHVURJKSA-N 433.534 1.532 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)C(=O)C1 1760299684 DITRYNIHGDARPN-UHFFFAOYSA-N 439.358 1.916 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1760396533 FREMCLDGDQJDMO-DOTOQJQBSA-N 439.582 1.834 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCOCC1 1760461540 XYLXWNADOYOQFZ-MRXNPFEDSA-N 433.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1760524006 MVWVXJLSQLUUTH-SFHVURJKSA-N 436.520 1.415 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](COC)C1 1760555310 BWNNHKMUAYTINC-HOTGVXAUSA-N 425.555 1.083 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1765031121 CTPYSJHUGTZEDT-CAGIGRBZSA-N 427.509 1.380 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1766691384 JRBWWEOVJIZXGS-BGYRXZFFSA-N 426.521 1.737 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1767231919 DHSCBIXKWIJQDD-AOMKIAJQSA-N 439.520 1.208 30 10 IDEE COC[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1769193389 DCCFUPYIOISRLI-RHSMWYFYSA-N 432.912 1.873 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1769267274 PZYKOUNLGFMCQF-KBXCAEBGSA-N 425.461 1.775 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1770133148 WGDHJQLAQHPXPU-PGRDOPGGSA-N 427.505 1.457 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1772842585 SKTLYVHNTHSXDX-HOTGVXAUSA-N 429.525 1.570 30 10 IDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)CCO1 1851045678 KXKUPXPFXWIGES-HOCLYGCPSA-N 442.335 1.743 30 10 IDEE C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CC[C@H](NS(C)(=O)=O)C1 1851547364 OLMYNDRMPGEDLK-RDJZCZTQSA-N 437.525 1.942 30 10 IDEE CN(c1ncccc1CNC(=O)C1CCN(c2ccc(C#N)cc2)CC1)S(C)(=O)=O 1851935415 OVRHCFAPTFDRKE-UHFFFAOYSA-N 427.530 1.882 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(Cc4cocn4)C3)CC2=O)c1 1854103454 GMPQNVOLUCOWDS-QGZVFWFLSA-N 427.892 1.953 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(Br)cs3)CC2=O)CC1=O 1856341914 HOGPOVBCIPXRFL-GFCCVEGCSA-N 426.336 1.716 30 10 IDEE CC(=O)N1CCO[C@@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@H]2C)C1 1857474299 PMQOEUYJJIJOOK-PBHICJAKSA-N 432.908 1.326 30 10 IDEE CCCCCCCCCCNC(=O)[C@@H](CCC(N)=O)NC(=O)CCCNS(C)(=O)=O 1860940191 RJOVVFXXNQOOHN-QGZVFWFLSA-N 448.630 1.323 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc(OC)c1O 1862633640 DPCUJKVKDRSUOR-GOSISDBHSA-N 443.408 1.709 30 10 IDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)cc2F)C1=O 1863657330 UZKLOBUKBOTDJI-UHFFFAOYSA-N 433.436 1.668 30 10 IDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1870143185 AUXVDYVRCWQSMH-UHFFFAOYSA-N 439.457 1.721 30 10 IDEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CC(NC(=O)OC(C)(C)C)C1 2014679591 ZVURAZYNZCGNCC-XLIONFOSSA-N 427.549 1.820 30 10 IDEE Cc1ccc(S[C@@H]2O[C@H](COS(=O)(=O)c3ccc(C)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc1 2081181048 LYMJEOCRHJPDEC-OBKDMQGPSA-N 440.539 1.609 30 10 IDEE N#C[C@H]1CCCN(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2118169498 XLNYJTORSODNBN-HUUCEWRRSA-N 434.440 1.914 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2255538061 FKQSYBJLVAFOLY-NWDGAFQWSA-N 428.216 1.875 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255656360 ZPETWXORAHEDPC-ZFWWWQNUSA-N 434.346 1.847 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255658022 XRMWZEAOXLFPBF-UHFFFAOYSA-N 432.330 1.715 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2255679628 HZTXESKEOMHYCG-CHWSQXEVSA-N 435.334 1.290 30 10 IDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCC3OCCO3)c(Cl)c2)OC1(C)C 2255802499 ZUBOVGYUZBLPPA-UHFFFAOYSA-N 438.138 1.944 30 10 IDEE Cn1ncc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2255824808 PBBYKUYDZCMBFY-HNNXBMFYSA-N 434.346 1.752 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007729 AMYNLNDPQBFRKS-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267530520 BOFOLQGULRCHAT-NEPJUHHUSA-N 444.263 1.628 30 10 IDEE Cn1nc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 2267541789 ITRPSSSJLJZCBE-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(C3)OCCO4)c(Cl)c2)OC1(C)C 2267705377 XTPMXKGEHXKHOD-UHFFFAOYSA-N 429.731 1.777 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2F)OC1(C)C 2282315145 KGOWRIPSMNLDKF-UHFFFAOYSA-N 427.303 1.653 30 10 IDEE COc1cc(Br)cc(C=Nn2c(CNC(C)=O)nnc2SCCO)c1O 2330794777 ZPVPIWBQNMABFM-UHFFFAOYSA-N 444.311 1.358 30 10 IDEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccncc1 102756573 GSRXTMRXRUJFMD-LAFOYAEKSA-N 436.468 1.900 30 10 IDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4ccc(Cl)cc4)[nH]3)nc2n(C)c1=O 105377990 UUEMQYWNCMSOIB-CNHKJKLMSA-N 431.869 1.329 30 10 IDEE C[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)ON1C(=O)CCC1=O 208934826 BCVGOHHCANHHST-RNCGHPTOSA-N 431.470 1.147 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 409837482 TYXFQOJNWCNYRV-RISCZKNCSA-N 425.454 1.573 30 10 IDEE Cc1c(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cccc1[N+](=O)[O-] 438901279 ZFMROKZPNGFZCZ-UHFFFAOYSA-N 428.470 1.851 30 10 IDEE Cn1cc(C#N)c(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)n1 464100700 VQXMNAATXQHRJN-JPDRSCFKSA-N 427.464 1.710 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@@H](CO)c2ccsc2)CC1 473176509 XHVAIXUUGDNZBP-INIZCTEOSA-N 427.486 1.840 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)nc1 474349605 HWMQDXGEYARQCX-UHFFFAOYSA-N 429.505 1.502 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 478854262 YSTBSPHBCXIPBG-UHFFFAOYSA-N 444.520 1.330 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1C#N 489090158 UBUCVAXPJXYHOE-SFHVURJKSA-N 433.921 1.448 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@H]3CCCO3)c2=O)cc1 489120176 AHEQFKUVNNOMGM-GOSISDBHSA-N 446.532 1.934 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCN(c4ccccc4F)C3=O)CC2)o1 489674890 GTESBHTVYNNDJF-IBGZPJMESA-N 440.479 1.380 30 10 IDEE COCCN(C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 509079981 FFIMDLHFEHPYFQ-GOSISDBHSA-N 435.546 1.064 30 10 IDEE Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)cc1S(=O)(=O)NCC#N 520860469 BARSBWGOXYRGQQ-QGZVFWFLSA-N 444.538 1.951 30 10 IDEE COc1c(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cnc2c1cnn2C 542339262 GOGBRKCNEZQTRH-UHFFFAOYSA-N 430.472 1.979 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 543383381 BFZVUKGIPWIIGR-QFIPXVFZSA-N 448.479 1.998 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)CC2)n1 545490119 ZHMMYRDYWOSGKA-GOSISDBHSA-N 433.468 1.426 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)CC2)n1 546213610 KMAFYZSOVANYEE-UHFFFAOYSA-N 446.555 1.355 30 10 IDEE COc1cc(CNC(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)ccc1C#N 558614574 PMQDJSARLSVUTE-ROUUACIJSA-N 427.549 1.899 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 567493413 ZBMSYXKYBLGOPB-QGZVFWFLSA-N 433.578 1.448 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 609488700 KTRSNXYIALKCPE-MRXNPFEDSA-N 428.518 1.825 30 10 IDEE CNC(=O)CCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CC1 619858657 IYJIPMLPJOKXJP-GOSISDBHSA-N 438.532 1.975 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@H](C)c1cccs1 730144513 OJIIWPATKWCZAG-PPLXDANASA-N 439.607 1.313 30 10 IDEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)sc2nc3n(c(=O)c12)CCCCC3 731888154 GGIBABYFJPLFMG-VLGSPTGOSA-N 441.513 1.749 30 10 IDEE C[C@H](CS(C)(=O)=O)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 733202196 PAHNDDQYXGJTOB-IAQYHMDHSA-N 427.523 1.859 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H]1CCOc2ccccc21 742144669 RUXCXEZBGPNQEK-GOSISDBHSA-N 435.505 1.904 30 10 IDEE COc1ccc(CNC(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1C#N 746784328 CRHZNLXYIQLPAX-HDICACEKSA-N 427.549 1.899 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(CC(=O)NC2CCCC2)c1 747192140 XXSKYDSAVQDKPH-UHFFFAOYSA-N 444.517 1.009 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)ccc1OC 752960075 CWXUAXSRIOWRSF-DMPWYTOCSA-N 443.504 1.896 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1 758563020 UJTNTUVPMNQCST-RDTXWAMCSA-N 439.493 1.056 30 10 IDEE COCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760404004 CZQSROWDXIMVKO-UHFFFAOYSA-N 428.532 1.640 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccn(C)n2)C1=O 765545754 VRTGJNXXVJQYDT-KRWDZBQOSA-N 432.525 1.759 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1 766404132 FMCSFPDCLDRQNI-GOSISDBHSA-N 426.546 1.985 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 775367777 CHSWWJCTPPMCSZ-GJZGRUSLSA-N 436.534 1.488 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 779618880 HKTIUBGHSALLOU-IBGZPJMESA-N 426.565 1.495 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(C(=O)O)cc3Cl)nc2)CC1 783812695 VIFXBPSKJKPFDQ-UHFFFAOYSA-N 437.909 1.815 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 790107814 LWSCXHJDBRSREQ-KRWDZBQOSA-N 432.546 1.545 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 790107902 OLTGPZITMDJUFJ-OAQYLSRUSA-N 444.557 1.735 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 792659745 QPEJPXMLAKVLSC-LJQANCHMSA-N 442.516 1.801 30 10 IDEE C[C@@H]1CC[C@@H]1N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 795183872 MRQWKFNZTSOZJS-JLSDUUJJSA-N 445.589 1.974 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 796098829 YMXTUGUWQGXACI-IBGZPJMESA-N 448.566 1.620 30 10 IDEE COCc1nnc(CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)o1 1084051102 BRQMELUAEKOCKB-UHFFFAOYSA-N 435.382 1.889 30 10 IDEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)o1 1084329532 QPRWSSTVNULLLN-UHFFFAOYSA-N 432.514 1.724 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2ccc(C#N)cc2)o1 1131105346 HJCGCYQVROAYCU-QGZVFWFLSA-N 445.497 1.840 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cccc(SCC#N)c3)ncnc1-2 1136683465 CZFPCDGGLIUCHX-UHFFFAOYSA-N 446.334 1.957 30 10 IDEE C=CC1(CC(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)CN(C(=O)OC(C)(C)C)C1 1137693205 YCLLYDYUXHCQSK-UHFFFAOYSA-N 437.537 1.718 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)s1 1179510223 TVZISCIOILXJMW-OAHLLOKOSA-N 432.589 1.181 30 10 IDEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N2CCC3(CC2)CC(=O)C=CO3)c1 1198242877 UPAJRZPICBREJL-AWEZNQCLSA-N 430.457 1.925 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC1 1206536427 SEHHINKOHDCISL-UHFFFAOYSA-N 425.820 1.371 30 10 IDEE N#C[C@H]1CN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CCN1Cc1ccccc1 1230308254 IAYPNDYDJZOLPO-RBUKOAKNSA-N 440.525 1.641 30 10 IDEE Cc1nc(CN2CCC(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)oc1C 1251788915 GUQPHWIVDFGRHQ-FMQUCBEESA-N 430.509 1.329 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1286430971 LNBOMPSDAFRINY-FQEVSTJZSA-N 431.606 1.765 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1286446824 JICADLWGEYYWNZ-DQRAZIAOSA-N 434.500 1.863 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286461990 BTMCINARUXXMGD-QGZVFWFLSA-N 432.550 1.016 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1286466892 KZTZQRYZBXNNKK-IAGOWNOFSA-N 435.550 1.162 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCc2ccn(C)n2)CC1 1286484629 UAKXAPCYYNAURL-UHFFFAOYSA-N 449.559 1.987 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)[C@@H](C)CC)CC1 1286493116 DTKWFDSEKUFWOM-PKOBYXMFSA-N 444.580 1.427 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286781652 WIVUHXAWIVVHPA-JKSUJKDBSA-N 441.536 1.867 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1286949348 IMAVQZVDHRSFSD-HXUWFJFHSA-N 426.521 1.973 30 10 IDEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)C2)c(F)c1 1288501141 LJAIIVCZQOVALQ-CYBMUJFWSA-N 428.445 1.888 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1nc(C#N)cs1)n2C 1289332901 CYAWLGXZEQWSKB-UHFFFAOYSA-N 432.531 1.401 30 10 IDEE Cc1ccccc1-c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290114395 XYJJYUUGSWUTOU-KBDAKURLSA-N 449.515 1.482 30 10 IDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1299830534 UKRGCSGBJYHPID-GKVAYGERSA-N 433.553 1.352 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300496293 PMXBVQYITDFKSO-RBUKOAKNSA-N 438.594 1.862 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1300497292 YCAYUOYKWOOTMH-MSOLQXFVSA-N 430.530 1.357 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1300556241 FXRYAZLLZUTHJC-HNNXBMFYSA-N 434.591 1.667 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1300630302 AKYWXVSRKCLLLI-LJQANCHMSA-N 442.589 1.992 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)N(C)C)CC1 1300688695 JKTVHOPKGCGGMT-QGZVFWFLSA-N 442.564 1.676 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301257758 DUQGQBNFEOBOMJ-OALUTQOASA-N 433.553 1.592 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2)C1 1301479220 WNKILCNFHPERKY-SFHVURJKSA-N 447.499 1.806 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301490966 JNIRKMOWWZLOJR-UHFFFAOYSA-N 447.543 1.857 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](OCCOC)C1 1301493459 ZJJJARDPCRFISU-QGZVFWFLSA-N 443.504 1.260 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1301515348 SPGWYTJJHNFKDO-CQSZACIVSA-N 432.912 1.514 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CCN1S(C)(=O)=O 1302879821 RZYCNXDPBMFSET-DLBZAZTESA-N 444.561 1.713 30 10 IDEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 1309071888 ODPWLVMXFCETAK-UHFFFAOYSA-N 427.526 1.856 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1314534411 KLHMHKXQGZWZSI-HXUWFJFHSA-N 439.582 1.883 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1315903827 BZFALDPNTZKBQO-QZTJIDSGSA-N 444.561 1.571 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1323963167 VPSOAZZEXAKPHA-CQSZACIVSA-N 426.495 1.497 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCC(=O)NC)c(OC)c2)cc1 1355492820 JVDPVMMKAPDRDE-UHFFFAOYSA-N 447.513 1.879 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358959793 PTXNSEZFKOWBJY-MRXNPFEDSA-N 432.546 1.741 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)C(C)(C)C 1359026265 QDIFEBHIOAUTEP-UHFFFAOYSA-N 439.607 1.933 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC(F)F)CC1 1359028531 VQNFYTDLNDJDAJ-UHFFFAOYSA-N 444.486 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1359043500 WEUXLEMYBHBGNR-UHFFFAOYSA-N 446.540 1.991 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc(CO)nn1 1359063109 GQRHMLQKKKODNF-OAQYLSRUSA-N 435.492 1.092 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359089223 DXPLSYRBZOLMMK-POAQFYNOSA-N 444.580 1.989 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCS(=O)(=O)CC1 1359295132 QVZUFTVGIBBNHL-UHFFFAOYSA-N 449.602 1.813 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 1359400413 KNHQBJNJTLCJKC-UTKZUKDTSA-N 437.548 1.188 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)[C@@H](C)C1=O 1360017008 AJFVIYARWBYUAN-KRWDZBQOSA-N 448.535 1.587 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)C1 1360312006 FFQZSCYEIYMFNI-UHFFFAOYSA-N 432.550 1.760 30 10 IDEE CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1360389719 UWYFICDRMNWUGW-SFHVURJKSA-N 438.536 1.638 30 10 IDEE COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c(F)cc1C#N 1438030122 HYBSYBBYINEFOG-UHFFFAOYSA-N 449.460 1.988 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)c1 1441892039 XAYMLDRMRUGZKX-JOCHJYFZSA-N 431.489 1.375 30 10 IDEE C#CCN1CCCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 1444338023 OWNVFZRFYYZULJ-UHFFFAOYSA-N 438.569 1.916 30 10 IDEE COC(=O)c1cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc(Br)c1F 1447678726 HSEWKIXDEYTOIX-UHFFFAOYSA-N 439.197 1.538 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cn(CCOC)c(=O)nc1O 1455126412 DKJXLASIMFGCGF-UHFFFAOYSA-N 425.445 1.276 30 10 IDEE COC(=O)c1ccc2cc(CCNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)oc2c1 1457032783 ACKGLCNPMVZNNG-UHFFFAOYSA-N 441.465 1.728 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1463180165 BROZZFHVWNQBRH-QLFBSQMISA-N 426.254 1.882 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1464589192 HTYWNZUBVFHLNG-IBGZPJMESA-N 438.546 1.757 30 10 IDEE COCCN(CC(=O)N(C)C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1464873926 WEDZFRTXTDRACB-HXUWFJFHSA-N 444.532 1.956 30 10 IDEE Cn1c(=O)[nH]c(N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c(C#N)c1=O 1472696018 BYFLLRLHDVJJPM-UHFFFAOYSA-N 435.459 1.990 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2sc(C)nc2C)CCOC1 1502728135 GLAPUDGZRBJJQR-OXQOHEQNSA-N 432.550 1.975 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCC(C)C)CCO1 1503770121 CZGOLUQUEWATHC-XXBNENTESA-N 440.548 1.955 30 10 IDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1504858759 IHEQZPSBJCNVMX-XLIONFOSSA-N 428.537 1.514 30 10 IDEE C#CCCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1507575847 WMUBEQXAZAAMDW-AVRDEDQJSA-N 430.553 1.774 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)c(OC)c1 1507615956 CZJWXPBMXAUGII-QGZVFWFLSA-N 432.546 1.900 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1507650979 YILSWCJKKANHRZ-OALUTQOASA-N 443.548 1.881 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1507722262 SEJIMEXWQXTXAE-UHFFFAOYSA-N 435.576 1.506 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2)CC1 1507740993 RTCXUAAREHILAB-SFHVURJKSA-N 444.605 1.652 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507753217 CZPOLJSXZRHFMV-FUHWJXTLSA-N 433.578 1.618 30 10 IDEE C=C(Br)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507790701 BXQKQQVWBYVZIH-WMLDXEAASA-N 426.315 1.956 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 1508078893 LNCJNUIURCMTSL-INIZCTEOSA-N 442.520 1.133 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1508080956 GYPSXJWNPUEOBV-GOSISDBHSA-N 436.520 1.361 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1509946574 HNJCDCHRCRBHGD-SFHVURJKSA-N 429.569 1.784 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC(CC#N)CC2)n1CCCNS(C)(=O)=O 1518465734 LDZNQMLNHBJVSE-UHFFFAOYSA-N 446.577 1.947 30 10 IDEE COCCN1C[C@H](Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1519219594 GSRZUZQEHATLPU-WOJBJXKFSA-N 438.532 1.287 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C(N)=O)c1ccccn1 1523059344 DXKLKGMSVKTSRV-MRXNPFEDSA-N 433.262 1.836 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(I)cc1-n1cnnn1)C1CCOCC1 1529521424 FMPRCLADOACWEV-CQSZACIVSA-N 437.241 1.425 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)C1=O 1535077360 KGUSOCXSIPMXSM-JKSUJKDBSA-N 442.472 1.983 30 10 IDEE CN(C)c1cc(C#N)cc(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)c1 1537658378 HQQAEIKVMLMLBO-UHFFFAOYSA-N 425.493 1.938 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1539265766 KIPVIAFVPAMDIO-BBTUJRGHSA-N 449.577 1.032 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(=O)NCC(F)(F)F)CC1 1539467742 YGVXIWJEDCNIHN-ZDUSSCGKSA-N 428.459 1.436 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539520179 PHBJTHLTGPQHDN-JOCHJYFZSA-N 426.590 1.931 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)CC 1539548254 JAZBZHYJMNXWRU-OAQYLSRUSA-N 445.545 1.648 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539574741 PCQCUNZDJGZUTN-ICIURTGMSA-N 448.387 1.394 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540907227 PEJZYTZJLJQIFR-LJQANCHMSA-N 437.610 1.916 30 10 IDEE CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541555353 FCZFDZIPROFVJE-VHEBQXMUSA-N 429.569 1.880 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1541803430 IBAOHAJXYUYMQS-JSGCOSHPSA-N 431.547 1.972 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC[C@@H]1C 1555173228 RSJCMSZYJMWOCX-LPHOPBHVSA-N 444.561 1.713 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1555404402 FPTXMCFNQJFYRN-UGKGYDQZSA-N 443.504 1.386 30 10 IDEE COCCN(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555521766 GYCXZQUGOMQERD-UHFFFAOYSA-N 449.563 1.835 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1555806257 DWIYIYHYGPLMIB-SJORKVTESA-N 428.518 1.109 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1555993898 CIBFUCRCKIMCNL-QZTJIDSGSA-N 426.477 1.384 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1556797284 TZZXPHWNGJSSJC-FQEVSTJZSA-N 433.574 1.828 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCC2(S(N)(=O)=O)CCC2)nnc1-c1ccco1 1558389907 LHCLJMNPBKHZJO-UHFFFAOYSA-N 425.536 1.534 30 10 IDEE COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1559975308 KPYOQNCGZFITNW-HXUWFJFHSA-N 428.514 1.425 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 1583812108 RSVBJJUDSHBHAU-INIZCTEOSA-N 445.526 1.960 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1587834549 BMZRQKDSFCSZKY-IAGOWNOFSA-N 426.473 1.490 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1588186355 WJINUSKGVZOPAM-ZFGGDYGUSA-N 443.592 1.892 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3C)c2CCC)CC1 1588199490 QSUNMWLAVLTMBG-UHFFFAOYSA-N 429.546 1.359 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1588210784 NEGHEZHDMGHSLU-UHFFFAOYSA-N 441.495 1.066 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NC1CCCCC1 1588259121 RHVUIWHWTPKZTR-RXVVDRJESA-N 427.549 1.914 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCC 1589069046 IBLZZIMIJQWZAK-JKSUJKDBSA-N 429.612 1.602 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1589403607 AKZBYVARZPWIIP-QLFBSQMISA-N 445.383 1.952 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1589559472 RTFIVAQJUBCKCN-PGRDOPGGSA-N 440.548 1.716 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1593741901 ZUXSSWPQQQLWLT-RTBURBONSA-N 446.596 1.554 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2nccs2)C1 1595830438 BUHHGUKJHRQMGK-AWEZNQCLSA-N 427.552 1.450 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 1597813193 QRPXREZVDLTBSQ-SECBINFHSA-N 425.312 1.139 30 10 IDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)O2)CO1 1598098382 VNWCFDUTZSMGOD-NMZZKHSVSA-N 426.473 1.606 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1611766979 FKKNPRZHJKQGBV-UWJYYQICSA-N 444.561 1.802 30 10 IDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)OC 1613656183 CPABFEZUBJDDIV-QZTJIDSGSA-N 439.520 1.710 30 10 IDEE CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1614795124 DMMJLEFVYFMIDV-BQFCYCMXSA-N 426.525 1.789 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615838055 JBSLXBZGZPSZPT-AEFFLSMTSA-N 444.971 1.748 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@@H]21 1620178421 GBWITDWEOFFUHS-AEFFLSMTSA-N 430.534 1.657 30 10 IDEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1(S(C)(=O)=O)CC1 1635212480 OZBBWXKCHMWDPF-LLVKDONJSA-N 426.336 1.839 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)CC1 1635681037 CWNGLKQWGOZDRH-HXUWFJFHSA-N 435.565 1.587 30 10 IDEE CC(C)(C)OC(=O)[C@](C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1636656198 AMTGUWAKIGKVEQ-MTNREXPMSA-N 447.557 1.866 30 10 IDEE Cn1c(=O)[nH]c(NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C#N)c1=O 1642009123 VDEPELRDDUPZFK-UHFFFAOYSA-N 436.438 1.588 30 10 IDEE COC(=O)[C@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)CCOC1 1647809157 GDBXLKBMWPUNMO-VGSWGCGISA-N 432.496 1.411 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1648445276 AHZGNAIGVSHKJC-HDJSIYSDSA-N 436.534 1.535 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1649569062 VBXLMDSEBXSBPM-HYLQGWQCSA-N 443.552 1.958 30 10 IDEE Cn1cc([C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)nn1 1656473765 FLZARVADGTZNES-GHTZIAJQSA-N 425.512 1.543 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(Cc3ccccc3)[C@]3(CO)CCOC3)CC2)o1 1658626277 DUSALLHJWAJLNQ-QHCPKHFHSA-N 439.516 1.157 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)c1 1666045278 SQCOGNQPVNPPST-CYBMUJFWSA-N 437.909 1.309 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 1685237038 UZLLUVKVOPNHHV-UHFFFAOYSA-N 435.569 1.147 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1689824813 XYVPAFLULNJCQR-GOSISDBHSA-N 438.532 1.854 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1689850969 KARZWOJWPQHKMK-DLBZAZTESA-N 437.610 1.528 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1689852619 IBVVWFUYIJIDJY-AEFFLSMTSA-N 439.582 1.418 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690056191 JEWPWRQDHAPCPN-OAQYLSRUSA-N 436.560 1.875 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](OC)C2CC2)CC1 1690115152 VBETXQDNQGBOEN-FQEVSTJZSA-N 443.573 1.529 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncccc2C)CC1 1690152517 OAQMYWYBJRUWBS-UHFFFAOYSA-N 446.559 1.857 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1690316749 LOIGDRRTVDGAMZ-UHFFFAOYSA-N 430.534 1.344 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690430346 ISUHFQAFRGVJHI-QGZVFWFLSA-N 444.580 1.702 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1690484706 BMVQIARXDOHPNH-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCC=C)C1 1690672342 PBEIHSUFRVDMJY-LPHOPBHVSA-N 425.489 1.874 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690676365 XUUVCFHVHALWNG-JOCHJYFZSA-N 440.504 1.027 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)C1 1690727089 SWVFKGJZLDBRBP-UHFFFAOYSA-N 425.580 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccn1 1690729099 GKYPGDPWUGRPIF-UHFFFAOYSA-N 429.550 1.772 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CC1 1690838376 HNFHZHPMUGWCKS-JOCHJYFZSA-N 439.589 1.923 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCS1(=O)=O 1691811342 LZXDGSBVXPGJMA-MRXNPFEDSA-N 430.534 1.904 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1698243001 BAXUZCNJYWHNCN-MZGQBZNISA-N 430.509 1.375 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705566613 POVMDCMFEOWIGY-VPWXQRGCSA-N 434.566 1.102 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1705589970 XWXHQCNIANXXOX-OAHLLOKOSA-N 429.502 1.128 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1705595891 KHJFQYAQNLUYTI-DEOSSOPVSA-N 446.511 1.460 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705663683 ODNYJGKEXOSTQM-FQEVSTJZSA-N 427.574 1.771 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCC2)C1 1705924112 AZQQGJRKONKDFZ-GBESFXJTSA-N 437.610 1.693 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)n(C)c2=O)C1 1705929533 SERZKWZYJLQSEN-GOSISDBHSA-N 426.521 1.237 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705937537 WZRUIJNXJFGIGP-SFHVURJKSA-N 434.566 1.242 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1706069011 UUGBMSXTVZWNJF-HUUCEWRRSA-N 447.521 1.731 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1706632560 BIDGYNRPACKYRZ-HNNXBMFYSA-N 432.550 1.601 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1708275466 DHHYTKULIDLDIN-KPOBHBOGSA-N 449.508 1.330 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1709352369 GIJNYDNMOWERJJ-SKOAFDGASA-N 430.509 1.314 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1712318300 GWGYIJQBYOISSA-JOCHJYFZSA-N 426.521 1.696 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1722473885 IMPWSVBWTQQZEH-BFUOFWGJSA-N 436.488 1.948 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1722483151 NFPRAKTYMVEDOX-AWEZNQCLSA-N 428.331 1.376 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1722502416 UPZIKHJTEDDARD-INIZCTEOSA-N 444.565 1.920 30 10 IDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ncn(C)n2)CC1 1722566111 JYCFMPXWNKMOKR-MRXNPFEDSA-N 444.540 1.920 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722603239 HGLAPNAUMPCWSO-HOTGVXAUSA-N 445.611 1.055 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722689585 VUJCUXJBVGRBIV-NOXFTYBFSA-N 446.596 1.494 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722727001 HPFVMIDZEYZGEF-YRNRMSPPSA-N 435.550 1.647 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1729699990 NQTNMJAKDPLYIV-UHFFFAOYSA-N 435.488 1.689 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1730900751 KJOPIFDLPCYQTB-PMACEKPBSA-N 427.505 1.864 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740577858 RDOGOLSCKIYYDT-HZPDHXFCSA-N 426.546 1.788 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(CC)s2)CC1 1740690548 KFHXMAOFAUCFSB-HNNXBMFYSA-N 436.607 1.316 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cnn(CCOC)c2)CC1 1740702992 ZRWOKAQHCMGCHW-QGZVFWFLSA-N 427.553 1.649 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1740767423 OQEVFTMBGGLVEN-QSNWEANLSA-N 433.553 1.613 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740867418 JGKQSWIBLRVJFX-UHFFFAOYSA-N 431.585 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740990601 WZDKDNCOOWHBHF-ROUUACIJSA-N 433.534 1.325 30 10 IDEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)cc1 1742270585 SLJPJNJIHKLKGA-UHFFFAOYSA-N 447.561 1.967 30 10 IDEE CC[C@H](C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1743848501 CGLGUSPRTIAAKG-TUPYQCFKSA-N 429.525 1.628 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1746729594 XXXPYCHZIAXUMV-XMSQKQJNSA-N 432.569 1.922 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1 1747545021 WXMLBFNJDMJRII-UHFFFAOYSA-N 447.490 1.656 30 10 IDEE CN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1747628387 UUDVBOJRPDDKCP-UHFFFAOYSA-N 429.506 1.646 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1748752289 URKAKXDHPPCNCA-QZTJIDSGSA-N 431.566 1.643 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748820001 WVZXGFQOIXPXCH-HXUWFJFHSA-N 443.573 1.707 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOC[C@H]1OC 1748867160 AZRMEHDCZIZHPU-VIZSFHNOSA-N 430.549 1.833 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1749127103 JRPKBHIEYXOXQB-QRWLVFNGSA-N 444.536 1.948 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1749213571 NRMYRYUMFDQGLF-OAHLLOKOSA-N 435.550 1.749 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)OC 1749326533 BJJZOCAEYOIUFJ-PZJWPPBQSA-N 440.548 1.637 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1749941723 KEPLDQHDNRNVMR-RDJZCZTQSA-N 425.555 1.567 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCc2ccccc21 1751231811 GZHPRXVBWASCAM-JQHSSLGASA-N 444.561 1.737 30 10 IDEE Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1751863963 JRKNSBHWYHCOCN-BDJLRTHQSA-N 442.546 1.123 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760192618 KWYLJHKYCDFWEE-GBESFXJTSA-N 437.610 1.733 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)CC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1760242982 TZLHCWFNBXXRAQ-SPOLIRPYSA-N 425.533 1.685 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1760248822 RBVOOFKEKDTCAG-IBGZPJMESA-N 438.532 1.260 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2([S@@](C)=O)CC2)CC1 1760271945 RWOFUTKVPXBZAR-WJOKGBTCSA-N 440.573 1.141 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1760526514 AWZVXWQICPDVEP-QGZVFWFLSA-N 426.496 1.836 30 10 IDEE CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1766156130 ABWVCQOBVMYOAJ-IBGZPJMESA-N 445.593 1.677 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1768300135 HMGPFQTYTJDKAB-SFHVURJKSA-N 442.467 1.528 30 10 IDEE COc1ccncc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769012539 RGCCURSQVZDQGT-LAUBAEHRSA-N 428.493 1.499 30 10 IDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1769150248 AKHVKLOATVMTHN-UHFFFAOYSA-N 438.410 1.586 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1771273690 ZDKHONWTWSQLSD-UHFFFAOYSA-N 448.531 1.905 30 10 IDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cccc(OC)c4)n3[nH]2)CC1=O 1852237173 JKYQJRFBYJRWPK-HUUCEWRRSA-N 436.472 1.668 30 10 IDEE N#Cc1cc(CNC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(F)cc1F 1853272717 ODZKMSHRMRDSNZ-HXUWFJFHSA-N 433.480 1.794 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)C3CCCCC3)C(C)(C)C2=O)CC1=O 1857169653 OFRZJOKDJYJQRA-HNNXBMFYSA-N 425.551 1.133 30 10 IDEE COC1CCN(CC(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)CC#N)c3ccccc32)CC1 1857457661 SGLXUJNFGITURT-HNNXBMFYSA-N 434.518 1.109 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 1858965269 OITJNKSVYKBHJE-UHFFFAOYSA-N 447.425 1.582 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 1862695422 FCGVRCJBYQTQKQ-GOSISDBHSA-N 429.425 1.989 30 10 IDEE NC(=O)CSc1nnc(-c2ccco2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874465105 SZWUOICJSBDJRK-UFWORHAWSA-N 430.402 1.677 30 10 IDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 1984786343 OJQVDKSTGLIYPS-UONOGXRCSA-N 427.498 1.988 30 10 IDEE N#Cc1cc(I)cc([C@H](O)C(=O)O)c1I 2060283005 XVHPNFXWUHNLEK-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE C#CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2116268343 JFSZEHYOKOZXLZ-DGCLKSJQSA-N 427.299 1.421 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243412992 XIDFBDVRZJCBEJ-QWHCGFSZSA-N 444.384 1.991 30 10 IDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247881160 SMSRGRNXDTXHBY-UHFFFAOYSA-N 442.343 1.720 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2247908037 MMDZHPOMSPUISF-UHFFFAOYSA-N 438.359 1.640 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255527804 RJOCTVJVDVKMFQ-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619084 MQDCRSHYEHVETF-ZIAGYGMSSA-N 436.318 1.073 30 10 IDEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629479 WITRVZHGYDPSRC-UHFFFAOYSA-N 438.334 1.370 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267013857 QCBKPICAURNEJE-GOSISDBHSA-N 440.353 1.350 30 10 IDEE CCC(CO)(CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311830 NRVYXVRTYVHPAD-UHFFFAOYSA-N 425.765 1.112 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=CC=Cc2ccccc2)c(=O)n1-c1ccccc1 2297510264 BFNYSMAFFXDMHE-UHFFFAOYSA-N 443.528 1.926 30 10 IDEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2339785926 DOFXJLYNACGGIP-CVEARBPZSA-N 449.357 1.858 30 10 IDEE COc1[nH]c(=N[C@@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339788773 UVEVJKQTIKOPSY-GOEBONIOSA-N 449.357 1.763 30 10 IDEE COC(=O)CSc1nnc(N)n1[C@@H](C)C(=O)Nc1c(C#N)cnn1-c1ccccc1 40173572 JAFHPXXWANWMKU-NSHDSACASA-N 426.462 1.382 30 10 IDEE C[C@H]1CN(CCCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 443667346 HKZXIBSGCVGLGU-QKLQHJQFSA-N 441.532 1.769 30 10 IDEE Cn1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C(F)(F)F 445032041 IBYCDMZNPSLXGH-UHFFFAOYSA-N 442.423 1.849 30 10 IDEE Cc1ccc(C(=O)NCC2(N3CCCCC3)CCN(C)CC2)cc1S(=O)(=O)NCC#N 461291218 SAQGZASFKVXRBU-UHFFFAOYSA-N 447.605 1.477 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 466375136 QKFKVIOZAJGRSH-OAHLLOKOSA-N 439.354 1.846 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnn1CC1CCCC1 468248458 BAZSAMJJWOJPGR-UHFFFAOYSA-N 442.545 1.795 30 10 IDEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NCCOc2ccc(C#N)cc2)C1=O 472990427 OJQAOWCZGQQMDP-MRXNPFEDSA-N 428.470 1.890 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 478843222 HGXDCZNZZMJRTK-KRWDZBQOSA-N 442.500 1.664 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1 481043736 XEWGSGOAIURRLK-ZDUSSCGKSA-N 428.536 1.165 30 10 IDEE COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(F)c1 481776927 IUDBVNWUNYNLFE-WMLDXEAASA-N 447.488 1.512 30 10 IDEE Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1S(=O)(=O)NCC#N 487884645 STIJHKFVGUFEHF-GOSISDBHSA-N 444.488 1.814 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4ccn(CCC#N)n4)CC3)C2=O)n(C)n1 506402170 BFXZECBCAPDYBK-KRWDZBQOSA-N 439.524 1.184 30 10 IDEE CC(C)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)N1CCS(=O)CC1 511068631 JSISPVDXCHSZSP-UHFFFAOYSA-N 425.576 1.337 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1C[C@@H]1CCCO1 514330108 UUGOJLBRYLOTJD-BHYGNILZSA-N 441.553 1.834 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 514916295 FDOLNYQOTBDXBI-KRWDZBQOSA-N 427.526 1.127 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 525173329 ZWKFINCBUAQOPR-UHFFFAOYSA-N 437.521 1.699 30 10 IDEE COc1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1S(=O)(=O)N(C)C 535328344 WZQKSCPXAUBEID-UHFFFAOYSA-N 444.517 1.566 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 564807369 GZZLKAHWOLUTPM-IPJJNNNSSA-N 439.560 1.188 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3C[C@@H]3CCCO3)CC2)c1C#N 571421266 LXEOPXIGOCAIRP-SFHVURJKSA-N 433.520 1.759 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1ccsc1 584449847 IVVJCWGBCPLVAD-UHFFFAOYSA-N 433.518 1.395 30 10 IDEE CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 585777619 BIXDIAQUCZFXSA-UHFFFAOYSA-N 446.504 1.659 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 590914188 XYPHYYRGOQHMQX-MRXNPFEDSA-N 442.497 1.026 30 10 IDEE Cc1nn(C)c(C)c1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 603573715 JOTNJUIBGVGZOV-UHFFFAOYSA-N 429.546 1.668 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CC1 604182928 WCTHZQINPOWPJR-UHFFFAOYSA-N 444.532 1.093 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)c1 611081028 QDJUULNQSXMJSC-HXUWFJFHSA-N 438.513 1.592 30 10 IDEE CN(c1ccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1)S(C)(=O)=O 613157077 TVEHHQZGLWITBT-UHFFFAOYSA-N 425.474 1.856 30 10 IDEE COc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1 727868494 SGPBWGVKOFDDKZ-CLCOLTQESA-N 444.513 1.877 30 10 IDEE COc1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc2c1OCCO2 727971831 LAQNPIWSHGDLKE-UHFFFAOYSA-N 446.529 1.849 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CC(=O)NC2CC2)C1=O 730137969 AXUQOAAHUKRFDJ-MRXNPFEDSA-N 435.525 1.104 30 10 IDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(Cl)c1 730143379 AXZYLQPHCIVMOF-INIZCTEOSA-N 442.969 1.994 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1C#N 732563185 SZEVJYBSCPIHSB-UHFFFAOYSA-N 432.509 1.016 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C3CCN(C)CC3)c2=O)cn1 735069389 TYPYLUQPMWACDX-UHFFFAOYSA-N 427.574 1.511 30 10 IDEE COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1C#N 747443218 CSSQLIMZVKCTTG-UHFFFAOYSA-N 444.332 1.986 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2sccc2C#N)c(N)n(Cc2ccccc2)c1=O 748098226 VSPKLYGXIPPDSS-UHFFFAOYSA-N 438.465 1.633 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC2)CCN1C1CC1 752847462 WKPHPAQFVWQCDF-WBVHZDCISA-N 441.561 1.483 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)cc1C#N 755296961 UETAVLYOQWJSND-UHFFFAOYSA-N 428.470 1.144 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 758077884 DKQCPGSIMSIHLE-UHFFFAOYSA-N 446.532 1.889 30 10 IDEE N#CCOc1cccc(CC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 760633638 PVDLISOMSLXBSE-UHFFFAOYSA-N 427.482 1.721 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 761626925 AFWWCKHNAHEHOG-ADSWHHSESA-N 436.538 1.425 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)cc2OC)cc1 771525360 NBPDBZNIYMFBSD-LJQANCHMSA-N 446.481 1.259 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)cc1 771539131 BADMSEGWIHHGLO-AWEZNQCLSA-N 433.925 1.706 30 10 IDEE COc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 782589308 NBCOAOJBGWHYLA-UHFFFAOYSA-N 441.387 1.821 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)n1 788821013 VXARHOPWGZTGFB-UHFFFAOYSA-N 428.873 1.245 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)n1 789087882 WJQBLWHSGWHGRS-GOSISDBHSA-N 425.489 1.488 30 10 IDEE CSCCN=c1scc(-c2cnnn2C)n1N=Cc1c(Br)cnn1C 794857492 UYNXSJDBRFYTSM-UHFFFAOYSA-N 441.384 1.987 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 796611103 ABMSJLZQDGGXPV-WMZOPIPTSA-N 429.502 1.485 30 10 IDEE C#CCN(C(=O)NCc1ccc(I)c(C)c1)[C@H]1CCS(=O)(=O)C1 798476941 QLQAMVMXWLQVLX-AWEZNQCLSA-N 446.310 1.932 30 10 IDEE CCc1noc(C[C@@]2(O)CCCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)n1 856676650 KKDXOGLOZNJJQO-QFIPXVFZSA-N 435.488 1.697 30 10 IDEE COc1ccccc1C=NNc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N 1084633696 UQJKCGHASQAYDW-UHFFFAOYSA-N 429.481 1.994 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1138107900 FSBFTNOZRZQAED-QWHCGFSZSA-N 442.563 1.414 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 1141724877 CAZLWRANOLWWAB-CYBMUJFWSA-N 447.941 1.995 30 10 IDEE C=C[C@H](C)ONC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1144589788 UBAREIBETKIHMO-JTQLQIEISA-N 437.287 1.845 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1158476517 XYJSGQRZJSHEFY-INIZCTEOSA-N 429.498 1.406 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)=NO2)C1 1160060635 UIKFZCGCTWXINS-HNNXBMFYSA-N 427.461 1.699 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC[C@@H]12 1251685752 IYGDEJZGRCLKNJ-VZJWBNGJSA-N 438.550 1.498 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1286296067 MHUPKOQUAFRMLW-AEFFLSMTSA-N 449.581 1.054 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1286400470 GXVMDYSWUDAJRM-ZJSXRUAMSA-N 443.592 1.748 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286507071 BWHJBEZUYKSQSE-KRWDZBQOSA-N 434.591 1.148 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1286516167 XSKSQAIZBHNLTE-RTWAWAEBSA-N 436.578 1.747 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1286522332 IYGYZFQRKBXRRF-NNMXDRDESA-N 448.637 1.198 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1286527491 DGHPNAPYTCHHAK-VGOFRKELSA-N 442.589 1.982 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286548574 OSMNRVACOZLGKR-MJBXVCDLSA-N 449.371 1.534 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286592692 QWJYMFRSPOTSDG-OXQOHEQNSA-N 441.598 1.829 30 10 IDEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1286599223 QJSZGQIBUKGYFB-KBPBESRZSA-N 443.480 1.707 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H]21 1286609267 ZDLHRUANNGKXDK-BBWFWOEESA-N 425.555 1.192 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1286726748 IGLOWSVDBVOPOP-QGZVFWFLSA-N 438.575 1.395 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC 1286779406 IBEMYAPDSNNGIZ-LLVKDONJSA-N 438.330 1.156 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCSC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286792731 GNZZBASLQCLZCH-NHCUHLMSSA-N 435.594 1.954 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286792758 HBMNFUDCOGAUHH-KGVIQGDOSA-N 432.569 1.294 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1288772997 HABOKHDEKSSYIR-LSDHHAIUSA-N 439.586 1.275 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCc1ccccc1 1288825561 HMTGIFNQHVUWPJ-KXBFYZLASA-N 436.513 1.547 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3CCCCCO)CC2)c1C#N 1290576444 FKPFVZQCACAXBX-UHFFFAOYSA-N 449.563 1.667 30 10 IDEE C[C@H]1CCCCN1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1291096312 BPWRJZXVGFOIEJ-RBUKOAKNSA-N 429.569 1.897 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CC2)cc1 1300126358 DORURNLCNQCVRV-YVGXBJCXSA-N 429.546 1.712 30 10 IDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1300357718 VRHYKUBDTVMVRY-INIZCTEOSA-N 433.516 1.790 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1300409238 GLXQRHPMYONFCS-SFHVURJKSA-N 431.562 1.919 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300421735 PXFQCQUHVMHKMQ-IBGZPJMESA-N 447.609 1.661 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300495500 ICEVIRRVKZSSDJ-RYLXDESZSA-N 436.578 1.698 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300495983 MDYPEYFSQUROBN-DOTOQJQBSA-N 435.575 1.960 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1300496391 QUUXPRJYJXEKKS-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC 1300657692 QAFFUNSEXKIVPF-UHFFFAOYSA-N 444.355 1.556 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccccc2N2CCOCC2)CC1 1300727366 YNVXXRGSQUBRLQ-UHFFFAOYSA-N 436.560 1.691 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1300862759 DOZWADGPVYGGDD-FUHWJXTLSA-N 432.569 1.846 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300990837 YZGDDRIVOYSHRF-AOMKIAJQSA-N 446.552 1.579 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1301148475 OYXHMHPHNUKWAW-QRQCRPRQSA-N 443.552 1.646 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301497670 ALQKJMCKZFNOEQ-UHFFFAOYSA-N 430.553 1.313 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301508633 OTDMCELHIFCJPW-BTYIYWSLSA-N 446.577 1.710 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1301520890 SBENAXQCIWBYOH-CRAIPNDOSA-N 434.585 1.850 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1[C@H]1C[C@@H]1C 1303862056 HOMREGUYEFOAKL-DZKIICNBSA-N 430.538 1.062 30 10 IDEE CN(CCC#N)C(=O)CCN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1307913600 LUIBQUVXTQGHNO-HIFRSBDPSA-N 434.459 1.602 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 1313281177 UMCKAVJMBQTVJZ-QZTJIDSGSA-N 428.537 1.934 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1314741014 IZJWUQFZPNOENN-IBGZPJMESA-N 444.499 1.760 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1316223845 BGQPTRQNTIXANW-MSOLQXFVSA-N 435.525 1.461 30 10 IDEE CSCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1316478283 ZWMXKTKJYOENKA-HOTGVXAUSA-N 428.566 1.912 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)c1 1358017679 DOMZIZBKIZKBBG-UHFFFAOYSA-N 428.351 1.769 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358962892 YTISFMGJBSTOPQ-GOSISDBHSA-N 435.594 1.019 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359083859 SNNYPLXNCMNHOQ-ZIAGYGMSSA-N 425.331 1.637 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1359102419 BALUUEZKMCMNPH-BXWFABGCSA-N 442.545 1.980 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(CC)Cc1ccc2c(c1)OCO2 1359291496 SLXMLXHHZRJXOD-UHFFFAOYSA-N 428.493 1.474 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC(c2ccccc2)C1 1360713433 HQLLJLOTZXLAOA-JVDULTGUSA-N 444.561 1.811 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 1441388431 FIUBRGCKMWQVFX-UHFFFAOYSA-N 435.502 1.600 30 10 IDEE O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)N[C@@H]1CCN(O)C1=O 1450160700 FJBJRZFODQEZIT-MRVPVSSYSA-N 429.252 1.400 30 10 IDEE CSC[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1452948413 UEJGHZYZTNELFJ-OKYOBFRVSA-N 429.542 1.957 30 10 IDEE C[C@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCO1 1460853810 AZTGEMXCNYRDKW-QFIPXVFZSA-N 446.573 1.013 30 10 IDEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1467670200 PLQLUTVAKWEERT-JYRCXFKTSA-N 438.506 1.285 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1499298859 CTTKQNFLRNNTHO-QGZVFWFLSA-N 433.472 1.555 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503255784 DOCWZGXPNBDXLE-UHFFFAOYSA-N 440.533 1.301 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1507592805 FUDGDAYGWHKXFA-UHFFFAOYSA-N 441.624 1.809 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1507630522 BCFOIWMRKTYZNU-CABCVRRESA-N 449.533 1.058 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1507633885 VKMANEHCRAQPMQ-QZTJIDSGSA-N 430.530 1.466 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1507737784 FIERCDPMUKJUFU-AZUAARDMSA-N 435.532 1.682 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1 1507814818 OPARUZGPECTPPN-UHFFFAOYSA-N 447.561 1.610 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508087827 FALWCUPIGVHMTL-MRXNPFEDSA-N 429.500 1.335 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1508518511 SKDLAOFYHNOIBL-INIZCTEOSA-N 443.577 1.604 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCC[C@H]1C 1510188321 CDHRBWNROLLJHZ-GJYPPUQNSA-N 441.577 1.595 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1514279800 AIXQFZCTGKVTNI-OAHLLOKOSA-N 427.557 1.379 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1518446860 ZHTWUVOIFIYXES-RLBWVDARSA-N 438.488 1.705 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1(C)C 1518605774 RCGBSSOIQVLARI-LJQANCHMSA-N 436.520 1.852 30 10 IDEE COCCN(C)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1519115443 HAOHAJPFZRYCQF-UHFFFAOYSA-N 449.563 1.455 30 10 IDEE N#Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1523212171 PPYZJEMXGCOHDB-CYBMUJFWSA-N 425.513 1.337 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)nc1 1539232503 GGXNCJAEQYQETB-UHFFFAOYSA-N 449.559 1.549 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1539443937 BSSXWEZQVIYXLJ-QGZVFWFLSA-N 442.568 1.595 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2([S@](C)=O)CCC2)CC1 1539475271 AEUBMHRENJBOLD-PMERELPUSA-N 428.562 1.540 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccsc3C#N)CC2)cc1[N+](=O)[O-] 1540297011 FFYRQPJKMORDFA-UHFFFAOYSA-N 436.471 1.683 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)cc1 1540647865 LPOHPTRVIDYFAI-CYBMUJFWSA-N 440.736 1.512 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1540869294 IGYBWXZWYXOIOE-CABCVRRESA-N 442.524 1.422 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540872911 FOMSAPOFXXFFTP-CRAIPNDOSA-N 445.593 1.093 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(N)=O)nc2)C1 1540893927 NLUQDVANVNXLQN-QGZVFWFLSA-N 439.545 1.957 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCO[C@@H](C)C2)C1 1540895346 QCZKYKYXEBQJKP-PMACEKPBSA-N 446.596 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540900146 MHGWKVDXKVUPHN-MRXNPFEDSA-N 442.545 1.475 30 10 IDEE CC(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541096425 SNWBRUPEKFBEFR-UHFFFAOYSA-N 449.519 1.201 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541115770 FEABHNXJJJVRJZ-RDJZCZTQSA-N 432.550 1.676 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C(F)(F)C12CCC2 1541945424 GUWSNYMXULIYHL-XQQFMLRXSA-N 430.481 1.052 30 10 IDEE N#Cc1cn(CC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(=O)nc1O 1543949070 CRISXBVYNQRYCR-OAHLLOKOSA-N 449.389 1.319 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(Cl)nc1 1554303457 LYEZZWZIJCRFDA-UHFFFAOYSA-N 445.936 1.899 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1555558544 WONGCEPQYXMUOV-INIZCTEOSA-N 440.570 1.168 30 10 IDEE COCCOCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555717262 FXGTUZGQPGSCKU-IBGZPJMESA-N 425.537 1.878 30 10 IDEE COC(=O)[C@@H](NCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(C)C 1558984320 UAJWNKBSAWZFIK-KXBFYZLASA-N 434.924 1.858 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588045954 URJJBMBQATUBJF-HKUYNNGSSA-N 443.573 1.877 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588046127 XXMMWGWZIZRPGK-SJORKVTESA-N 448.520 1.516 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCCOC 1588170659 LNVITXNWJONHSL-UHFFFAOYSA-N 436.516 1.446 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCN(C)C1 1588604580 LYVNLAVAQSKLAP-NRFANRHFSA-N 433.940 1.760 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1589069900 OQVFIARGOGTDQY-KRWDZBQOSA-N 443.639 1.848 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1589547578 VCLJFGHOGWXBBT-SQNIBIBYSA-N 437.566 1.359 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1593689676 CZERQEXXHQFLOY-HOTGVXAUSA-N 427.571 1.365 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1595562324 UUDQIACSNBLMFG-UHFFFAOYSA-N 443.515 1.783 30 10 IDEE CC(C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1597846685 CTRJXVAYOYUGAH-HXUWFJFHSA-N 439.564 1.142 30 10 IDEE CCOCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1617110129 UHBYYBAZNFHXCX-ROUUACIJSA-N 440.552 1.975 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1618543538 CZEAOTIRPRKCHI-QFBILLFUSA-N 437.548 1.894 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@H](C)O1 1619733351 DHBDUIUZYGAIDB-LPHOPBHVSA-N 427.505 1.598 30 10 IDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1622294854 CDWAFHRDFHBWFW-IBGZPJMESA-N 446.592 1.792 30 10 IDEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)cc1 1636671735 VKVLYYNAWLMTDW-NSHDSACASA-N 434.308 1.920 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)s1 1637895200 JZISRQWNDZVVMR-UHFFFAOYSA-N 447.585 1.321 30 10 IDEE C#CCN(C(=O)CS[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1638327438 DNWWJZAOFIOZSL-INIZCTEOSA-N 430.592 1.768 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](O)[C@H]1CCc1ccccc1)c1cc[nH]n1 1640092026 JWBYAGKYQFGYQK-MOPGFXCFSA-N 428.489 1.678 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1640924215 HRUMYRKBBVGHOD-UHFFFAOYSA-N 449.573 1.105 30 10 IDEE C[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(I)cc1 1641970225 COIWSFNQHRXNIY-JTQLQIEISA-N 438.225 1.345 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCCc2cc(OC)c(O)c(OC)c2)cc1 1642308610 WSRYUUOGMCCTTL-UHFFFAOYSA-N 432.498 1.684 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)cc1 1644190236 QYBXIRFMVNROFP-KDURUIRLSA-N 435.484 1.460 30 10 IDEE C=CCC1(O)CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1648366098 DOOLUOUWCFUSNK-KRWDZBQOSA-N 437.562 1.438 30 10 IDEE CN(C)CCn1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1-c1ccccc1 1648640929 DZIVQGNFWITAHL-UHFFFAOYSA-N 434.504 1.795 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)cc1 1652958669 ACLDNLZHGXYZGB-UHFFFAOYSA-N 426.454 1.373 30 10 IDEE C=CCOCCCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1660073325 XZJLNGQCXHTWQP-UHFFFAOYSA-N 426.539 1.488 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)CC1 1670318332 JEIHWOUNDIWFHH-UHFFFAOYSA-N 442.501 1.271 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CC1 1677288463 PPENKTULYMJWOR-UHFFFAOYSA-N 438.981 1.947 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3c(Br)cccc32)CC1 1683911071 SKIOANKKDCHIFW-INIZCTEOSA-N 441.351 1.231 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1689965799 DCMJPAHCSMGVOU-HNNXBMFYSA-N 425.555 1.507 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689986455 QJWWIIGQWDXUPJ-MRXNPFEDSA-N 441.517 1.291 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1690003143 DWAQYCARFQPPOY-HSZRJFAPSA-N 429.565 1.238 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1690034479 JHPJFXZRQDVIRB-QHCPKHFHSA-N 429.565 1.504 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCC(F)F)CC1 1690115285 ZUTXBMZBKOKNTQ-UHFFFAOYSA-N 428.443 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)CC1 1690140362 WRDQXYMEMQMGHZ-UHFFFAOYSA-N 441.532 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(C)C)CC1 1690152465 MHDGIGCQKWJHAS-GOSISDBHSA-N 426.569 1.056 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1690543511 HAGFVMFYAFXLHP-HUUCEWRRSA-N 428.459 1.647 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C2CCCCC2)CCOC1 1696085759 DUFZTXACLCIFLQ-KNQAVFIVSA-N 432.569 1.923 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1696470416 BJVUKOQTNUZXCC-SFHVURJKSA-N 433.534 1.493 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](CC(C)C)N(C)C)CCO1 1696961850 DYEFMSFWQFOEIT-UXHICEINSA-N 439.564 1.744 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1697926025 FYQVQEIIBZWQMB-HSZRJFAPSA-N 448.531 1.721 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 1698319217 ALIMSJCASPYXRW-UHFFFAOYSA-N 436.513 1.675 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1705510689 WERVADIXSQFOHP-INIZCTEOSA-N 448.549 1.247 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1705551266 KKRYEDRWKXELLC-INIZCTEOSA-N 429.502 1.255 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1705566604 PLSKXDYQLLRWOZ-OALUTQOASA-N 435.594 1.139 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705569233 FFFSBOZXZDVWPL-RBUKOAKNSA-N 436.578 1.443 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1705598308 GSMUIMUYABNHAP-ZWKOTPCHSA-N 426.546 1.102 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCSC2)CC1 1705632071 HGXDRWRRLFVFMJ-KRWDZBQOSA-N 425.562 1.824 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2snnc2C)CC1 1705633985 DYIKPVQEBFOWTR-UHFFFAOYSA-N 439.545 1.926 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1705767623 PEVCGMSNGDBBRW-LSDHHAIUSA-N 428.459 1.649 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 1705814576 UBSSLXYYFDGQMT-UHFFFAOYSA-N 432.550 1.776 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1705861480 GYMXMASVNNFVDY-GOSISDBHSA-N 449.577 1.575 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1706677033 WQYKIRVOBJXAFE-OGLOHFSISA-N 430.509 1.445 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1708617346 CUAOWVQYPWWYJP-ZYSHUDEJSA-N 426.521 1.972 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccc[nH]3)n1CC(=O)NCC(F)F)C2 1712879304 VLRCRVPGFTXDSN-UHFFFAOYSA-N 428.403 1.189 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCCOC 1722284870 QFBZDDUSRTVVOI-MRXNPFEDSA-N 435.488 1.852 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1722357787 AJMUDNFGKDFVEV-QZTJIDSGSA-N 449.577 1.168 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722438308 VKXGPPZGYKMHKH-OALUTQOASA-N 440.523 1.021 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCn2ccnn2)CC1 1722448621 FESOAOOVTCBIHA-UHFFFAOYSA-N 446.559 1.825 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722458661 PWFBAPZXHWTVMO-KRWDZBQOSA-N 429.550 1.214 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722592848 ADBZHUMCYQIJNA-XMSQKQJNSA-N 435.569 1.874 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC 1730048530 FIUDMVSVVOHJNJ-JLTOFOAXSA-N 449.533 1.108 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccncc2)CC1 1740546244 WIAJZLMKBUBBCI-IBGZPJMESA-N 433.564 1.744 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nccnc2C)CC1 1740693109 UECXBPDYCZEFAK-QFIPXVFZSA-N 425.537 1.027 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740882194 DDPAXRLOHQLFHV-RTBURBONSA-N 425.489 1.770 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(COc2ccccc2)CC1 1740957856 CDEZZKKDGFMGHH-IBGZPJMESA-N 438.532 1.827 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCS(C)(=O)=O)CCOC1 1746655577 BQPXPVSYMHINGP-FQEVSTJZSA-N 433.534 1.483 30 10 IDEE CCOCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1747312757 VRZJEYWDNSRVIK-QGZVFWFLSA-N 433.534 1.894 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)cn1 1748014935 SNOZDKAPSHMDPS-IJYGLTAASA-N 438.536 1.829 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1748905548 HMAHIFBEBJFTHG-QGZVFWFLSA-N 446.577 1.233 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749126590 FADJXDSXGNSDFC-GGPKGHCWSA-N 438.532 1.946 30 10 IDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1749448672 AEBJVOJLWCKUGP-UHFFFAOYSA-N 434.928 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749656014 XHNKFMPMDRESJA-AWEZNQCLSA-N 447.446 1.063 30 10 IDEE CC(C)CN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1750840129 ZYTVBUGRVWQKSK-XUTLUUPISA-N 441.536 1.377 30 10 IDEE Cc1nc(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)cs1 1751776016 MBGCOQXSHDGYDW-UHFFFAOYSA-N 438.517 1.257 30 10 IDEE Cc1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751905840 XEUYOENRQBPMLZ-FMQUCBEESA-N 427.509 1.094 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1 1752277538 CLSSTPQOHVNHPN-SFHVURJKSA-N 437.548 1.882 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760147740 FDLCZRCFPXOGFO-UHFFFAOYSA-N 448.369 1.659 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1760155115 QCPBXROBWDHPSS-SFHVURJKSA-N 443.573 1.929 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760169069 ZTCCQGFUESFEOD-NRFANRHFSA-N 448.545 1.362 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1760185779 DHGFYOBTTDFBBZ-SFHVURJKSA-N 429.546 1.251 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1760215503 CMLHIFKDPLDRDQ-UHFFFAOYSA-N 426.542 1.656 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N2CCCCC2)CC1 1760257302 TTYWWNORVWQZSR-QHCPKHFHSA-N 444.580 1.088 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1760262289 WQRCMGGZIPEXLB-LJQANCHMSA-N 437.596 1.733 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COCC)C1 1760316016 LFGNNWLQTGMMMX-MLHJIOFPSA-N 441.598 1.732 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1760451839 VJMKEPWMYKMZKA-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE C[C@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1761509171 HESOLAMGFAAFCJ-VFNWGFHPSA-N 444.923 1.804 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1763297871 XMDPDKATPIHGPN-IBGZPJMESA-N 426.521 1.711 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1764365698 FZOUQIWSOOGWPS-VDVXRXHMSA-N 444.536 1.704 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1766244738 ALHALCBZPCNZOY-UHFFFAOYSA-N 437.548 1.644 30 10 IDEE CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1766286680 FINOQRVDVBUNLP-YJBOKZPZSA-N 448.549 1.454 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(C)O)CCN2C1=O 1766927673 NKYOVDBYKBOGFD-QGZVFWFLSA-N 437.504 1.450 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)C1 1769157418 HIOCFTVXVNDGQQ-HSZRJFAPSA-N 439.564 1.747 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1769697274 FSTODDRBRLLHHT-AWEZNQCLSA-N 435.435 1.295 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(CC#N)CC2)C1 1770342707 GBHLNWYWHDHWIC-GOSISDBHSA-N 443.577 1.675 30 10 IDEE COc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(C#N)o1 1770387079 JHANJGCOTIUCQT-UHFFFAOYSA-N 436.472 1.762 30 10 IDEE CN1CCC(N2C[C@H](C(=O)N3CCC(COc4ncccc4C#N)CC3)CC2=O)CC1 1848670576 KXQQSEZOYHZQLK-LJQANCHMSA-N 425.533 1.513 30 10 IDEE C=CCN1C[C@@H](C(=O)N=c2[nH][nH]c3nc(C)c(I)c(C)c23)CC1=O 1850119991 PNULTJDVUGQKTO-JTQLQIEISA-N 439.257 1.574 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)CC2)nc1 1852280725 WZENAKJTSFQCLR-IBGZPJMESA-N 425.533 1.800 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)n1 1852485865 SVKNGIXGMLBTLA-CYBMUJFWSA-N 428.855 1.842 30 10 IDEE COCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc(F)c(C)c1 1852497066 LJELDIWHBQRUHY-UHFFFAOYSA-N 436.451 1.485 30 10 IDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(C#N)cc2)C(=O)C1 1853938595 BKARYJXXIAAPKS-UHFFFAOYSA-N 427.482 1.559 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(S(=O)(=O)CC(C)C)c3ccccc32)CC1=O 1854432163 QYSYWGZPYWEZKY-MRXNPFEDSA-N 433.530 1.777 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532997 YZAAFUQKDWAXHV-UHFFFAOYSA-N 445.531 1.737 30 10 IDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(CCO)CC2)nc1-c1ccccc1 1872800260 PMIYJIQCYOWRNL-QGZVFWFLSA-N 442.541 1.773 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2CCOC 1873558462 SCYPVDCSUFJERG-UHFFFAOYSA-N 428.537 1.006 30 10 IDEE Cn1cccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 1874210070 KQGTZZDZJBDRKG-IMQYADFFSA-N 437.529 1.592 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2022955966 YNHYYOHYGYCOFY-MMCPYJTDSA-N 426.319 1.069 30 10 IDEE C#CCn1ncc(NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2201306023 YCOBAXCRZAANKC-GOSISDBHSA-N 441.326 1.813 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2214638012 UJAIWMLJTOMFKI-QZWWFDLISA-N 437.537 1.589 30 10 IDEE Cc1cc(C#CCO)c(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)s1 2237674704 GQHWLAGZIWGPEG-UHFFFAOYSA-N 446.550 1.896 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1NC(=O)C(F)(F)F 2255627545 VACUALCGCIFYME-PWSUYJOCSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2255826690 CJYOPWFRFIOQSJ-BPLDGKMQSA-N 432.330 1.837 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1 2255838657 JJCUKMBHUNQJJU-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(CNC(=O)OC(C)(C)C)C1 2255872859 FKCMMWNSKJHOEB-UHFFFAOYSA-N 435.334 1.101 30 10 IDEE COC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267162615 BRRHJBYSURISNO-UHFFFAOYSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267268262 RUWXIAOHRKGQGZ-HOTGVXAUSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267281844 YFPNOQUURYGSJY-UHFFFAOYSA-N 444.301 1.198 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267543905 MJQPQYVHPQDEFT-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NCCc2cnn(Cc3ccccc3)c2)OC1(C)C 2267872653 KPOZPKFNWZIDGJ-UHFFFAOYSA-N 433.321 1.993 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268640503 XITBKPALMIVKKE-CRAIPNDOSA-N 448.369 1.919 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269047574 VDCHMSSQLDOEPM-YOEHRIQHSA-N 441.293 1.564 30 10 IDEE COc1cccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN2CCOCC2)c1 2296615738 OALJAVUHIFCABT-FQEVSTJZSA-N 440.500 1.789 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2315532124 HHKCQSYBGFLRQN-AWEZNQCLSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319757192 SKZHJMIFNFYIKF-XUWVNRHRSA-N 440.346 1.412 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2334272267 FSEQILZAUUWBIU-MCIONIFRSA-N 447.345 1.100 30 10 IDEE COc1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2339785928 DOFXJLYNACGGIP-HZPDHXFCSA-N 449.357 1.858 30 10 IDEE COc1ccccc1/C=c1\c(=O)oc2n1-c1oc(N)nc1[C@H](c1ccccc1OC)C=2C#N 138524320 DFKGPSLEMNCUEG-KZIRBZLESA-N 442.431 1.666 30 10 IDEE O=[N+]([O-])c1ccc(Cl)c(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 252643252 ZTQBTAJDFFMYKI-UHFFFAOYSA-N 448.871 1.552 30 10 IDEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCNC(=O)CC1 460922550 BGQNASWTPMVTCR-UHFFFAOYSA-N 432.550 1.310 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(I)ccc2F)CC1 474909754 YZUWQIREFGLYCD-UHFFFAOYSA-N 431.249 1.490 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)OCC)C1=O 481184808 FUCLKVTUHSHZRN-JOCHJYFZSA-N 427.457 1.130 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 481523770 SWGHJBXAFBPGFQ-LBPRGKRZSA-N 446.451 1.285 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 503604251 FNWFZOFLQLCFGW-UHFFFAOYSA-N 442.497 1.546 30 10 IDEE C=CCn1c(C)nnc1SCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 503737081 GZBORSGMVBVKDI-UHFFFAOYSA-N 438.579 1.820 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N(C)CCCOc1cccc(S(C)(=O)=O)c1 508861273 BXUURBSSOHFJFK-GOSISDBHSA-N 436.534 1.861 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508908560 UHWKFUNNTZYVDX-HXUWFJFHSA-N 447.628 1.614 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCCC2)C1 508945482 LXDAJDYQSZYBDG-KRWDZBQOSA-N 439.582 1.727 30 10 IDEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 511058442 YAUGKWRDFHLHFJ-UHFFFAOYSA-N 429.502 1.109 30 10 IDEE CN(C)c1nccc(N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)n1 533072881 YKVFUTVULWBCSR-UHFFFAOYSA-N 431.504 1.361 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 541074384 DCMFCDNTNNOBQR-ZDUSSCGKSA-N 445.522 1.931 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 561548821 MSXSAGSXGDRUOP-JKSUJKDBSA-N 427.482 1.764 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@H]2CCOC2)CC1 576762580 IOIACXYNGMTFBL-OXQOHEQNSA-N 442.495 1.740 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCn2nnnc2Cc2ccc(Br)cc2)nc1 577142815 HHFVCWOYCOYVEU-UHFFFAOYSA-N 433.291 1.767 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@H]1CCS(=O)(=O)C1 729331325 BNWUYKFJIRHZST-KGLIPLIRSA-N 439.331 1.451 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 732464964 AOXAQVWWXNAJQW-LSDHQDQOSA-N 437.500 1.779 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCCOCC)c2=O)cn1 735069328 STZFSNGZDOGIDL-UHFFFAOYSA-N 443.573 1.068 30 10 IDEE C[C@@H](CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)n1cccc1 735139847 MQPUGKBIPGJPJE-KRWDZBQOSA-N 444.513 1.387 30 10 IDEE CC(C)(C)OC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C[C@H]1CCCO1 744008041 ZQNVWXFCIDMLQX-QGZVFWFLSA-N 437.518 1.920 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 747313338 OIAXSNKLFVQOOI-CQSZACIVSA-N 441.469 1.538 30 10 IDEE Cc1c(C(=O)OCc2cc(Cl)ccc2OCC#N)cnc2c1c(=O)n(C)c(=O)n2C 748432772 DCGSTOCYNFLMMF-UHFFFAOYSA-N 428.832 1.853 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)ccc2Cl)c(=O)n1CCN1CCOCC1 753789713 XQMJQAMDUHDWQH-UHFFFAOYSA-N 435.336 1.575 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 758079465 KBWDOGNKHPTSSS-UHFFFAOYSA-N 444.491 1.526 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCCCC1 760400775 OQZAEWFZJYSROF-OAQYLSRUSA-N 444.513 1.300 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C#N)C1 761012406 RLZDNJJIUUFXKU-NVXWUHKLSA-N 425.493 1.544 30 10 IDEE C[C@H](CC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 763764233 AIGSPWSNXJKBRI-VYDXJSESSA-N 447.513 1.448 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(Cl)ccc1Br 766476988 DUATWHGJZHEEMD-YPKPFQOOSA-N 441.669 1.684 30 10 IDEE COCCN1C(=O)CCc2cc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)ccc21 778671868 QZAXAMWQDVFFID-UHFFFAOYSA-N 436.468 1.747 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C#C)c1 784123398 COPUJQVIVXQOQG-IBGZPJMESA-N 426.542 1.317 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 791207585 HJOUXZWMRMLWAC-IBGZPJMESA-N 429.473 1.268 30 10 IDEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 810470128 COXGMGWVGLJXJO-HZPDHXFCSA-N 434.905 1.634 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 912624834 BHOJRTFIXKILDJ-RDYUPDBUSA-N 439.509 1.967 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C)c3ccccc3Cl)CC2)c1=O 913062189 JOIPNIMGEIWNHZ-KRWDZBQOSA-N 445.951 1.533 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 1116373501 HRHPLZXDSBRRSB-HNNXBMFYSA-N 445.516 1.266 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)C(=O)C2(C)C)cc1 1141485938 VLIRVWALSKZBIY-UHFFFAOYSA-N 439.537 1.861 30 10 IDEE CN(C)C1CCN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1149004119 LSZDKQGTVLNMOY-OTQYULQBSA-N 433.597 1.915 30 10 IDEE O=C(N[C@H](CO)C(=O)N[C@@H]1CCCN(O)C1=O)OCC1c2ccccc2-c2ccccc21 1159641055 AYUBYSUHKFJWRY-WOJBJXKFSA-N 439.468 1.382 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 1191919936 FXYLAVVNWUMADO-SFHVURJKSA-N 447.513 1.595 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(OC)(OC)[C@H](O)C2)cc1 1197316140 MPZBCJBVUXWUBC-HXUWFJFHSA-N 442.516 1.969 30 10 IDEE C#CCN(C1CSC1)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1213430713 YWRHTKOWWCLMSL-UHFFFAOYSA-N 430.349 1.379 30 10 IDEE C#C[C@H](NC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1)C1CCOCC1 1231333656 ZFKYKKNXEXSSCW-HKUYNNGSSA-N 433.549 1.779 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1233928324 OULHOJDWNZKIOB-ZDUSSCGKSA-N 426.315 1.508 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1286295383 IQOPFBADNOXDFU-ZWOKBUDYSA-N 441.598 1.256 30 10 IDEE C#CCCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286321051 KQBFXCABEWEBKH-HXUWFJFHSA-N 433.516 1.886 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N1CCOCC1 1286381736 SWWMFTHNZAATCM-KRWDZBQOSA-N 446.552 1.668 30 10 IDEE C#CCN(c1nnc(CC)n1CCN1c2ccccc2C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286392866 HRHQLRWMKDPQSG-PKOBYXMFSA-N 427.574 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1286422628 NFVQAZHMTOEHHT-SIKLNZKXSA-N 448.589 1.606 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CC 1286465765 ALHKVXCEAUJOAH-JOCHJYFZSA-N 427.553 1.699 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2ccco2)C1 1286781537 SYCQZRUFKDIHHA-KRWDZBQOSA-N 430.509 1.670 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1286805110 QTRNGDXIRIGLCA-OXQOHEQNSA-N 440.566 1.289 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2=O)cc1 1296292102 BRNMQOBATKOBEF-KKUMJFAQSA-N 429.420 1.393 30 10 IDEE CCCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CC(=O)N(C)C1=O 1296901621 OPGJNQPBEKGUOF-XXUFKVEXSA-N 432.521 1.769 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1300298433 COBWGYYFAQJKFS-MMEWPQADSA-N 434.591 1.607 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1300300942 MMORRAYIQZMWAI-GOEBONIOSA-N 443.363 1.740 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1300483959 PRUVDFVCTGCGID-KRWDZBQOSA-N 441.513 1.925 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300504472 NSYPLKJJFPXMQS-SFHVURJKSA-N 446.573 1.872 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccn(C)n2)CC1 1300726572 OAIORIGEJCNVPX-UHFFFAOYSA-N 447.543 1.625 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300756390 KZRITSZDPIOBRR-SJORKVTESA-N 429.550 1.006 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C(=O)NC)C1 1300874023 LBKMGIBERLNYMO-SZMVWBNQSA-N 448.568 1.129 30 10 IDEE C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(=O)N(C)C)CC1 1301069990 JLIRJFYCOHILJT-UHFFFAOYSA-N 431.566 1.791 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301594457 CWVWMEHUDBMHMN-GOSISDBHSA-N 436.626 1.884 30 10 IDEE CC(=O)NCCCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301932938 WUYARNOFUMKZJD-INIZCTEOSA-N 425.541 1.380 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(O)CCOCC1 1305120514 DYXWBWLRJUBXMH-INIZCTEOSA-N 440.552 1.494 30 10 IDEE CC(C)(C)c1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(-c2ccccc2)n1 1308128278 OFECJQLQZMPAGS-KSFYIVLOSA-N 441.557 1.978 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1314740865 DIWOUQKVGOSQQB-UWJYYQICSA-N 429.546 1.849 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1315808056 MQFHLILAJKRSDG-KRWDZBQOSA-N 429.500 1.599 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H](C)CN2CCN(CC)CC2)c1 1358901311 GRURZAAHWJCJFK-LJQANCHMSA-N 437.592 1.916 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1358904026 RIQGSIJZTPDOQW-UHFFFAOYSA-N 426.569 1.666 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358964464 ZLAJEROBVXACTN-MSOLQXFVSA-N 432.550 1.004 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1359049540 RMWAHIILOJYZRW-GDBMZVCRSA-N 437.595 1.330 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CCC2)CC1 1359158931 IOTGEXXFASBODU-AWEZNQCLSA-N 431.584 1.012 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359215862 KZTSDGRHPXUYJG-BSDSXHPESA-N 439.582 1.296 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1359251925 ZBUPYTKGQUMKBO-AWEZNQCLSA-N 430.596 1.548 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1359300228 WUXFGBQEZLJKPA-CQSZACIVSA-N 448.465 1.844 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1359304954 ORISJUUNYNBPAD-NRFANRHFSA-N 433.940 1.954 30 10 IDEE CC(C)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359725035 YUSMJEJKWPMOCI-SIVVQXRPSA-N 430.509 1.312 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1463774290 IXTREZFLGVHVJY-OAHLLOKOSA-N 429.317 1.749 30 10 IDEE C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472371520 SPPRTNSLLRGENC-SNVBAGLBSA-N 435.253 1.984 30 10 IDEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1472622891 PWCVRNWMPJOUPK-UHFFFAOYSA-N 438.550 1.940 30 10 IDEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1502541288 SMLOQKPBUSHNSV-QZTJIDSGSA-N 427.505 1.992 30 10 IDEE COCCOCCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505045172 XFTZAFAADFWPDS-INIZCTEOSA-N 442.520 1.760 30 10 IDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507555777 BLKBRHRMJNPNSF-LJQANCHMSA-N 448.568 1.380 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1507677782 JXOZWXSWSSONPE-LJQANCHMSA-N 438.580 1.659 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COc2ccccc2O1 1507703460 WCJIWGJZQXVIBD-KRWDZBQOSA-N 425.489 1.440 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507731185 CLHQGXNUUUKSEK-SFHVURJKSA-N 430.553 1.404 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCCCC2)CC1 1507739226 BXNQJYNKWQASHB-UHFFFAOYSA-N 436.560 1.925 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507853773 HOWATJQDQOYTEI-UHFFFAOYSA-N 447.927 1.711 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507956931 IOZXXNOQJLXRDM-QFIPXVFZSA-N 443.552 1.592 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508085740 ISIGNRXURBGTFL-MRXNPFEDSA-N 435.525 1.324 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1508091674 NUXXLDKYCJNGNO-SFHVURJKSA-N 430.553 1.313 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(N)=O)CCCC2)C1 1508116354 RLIVSUJKITZNEG-VGSWGCGISA-N 433.553 1.757 30 10 IDEE CC(C)CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1509340154 XENPIZMMDXCZFL-RBUKOAKNSA-N 429.569 1.859 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)CC(F)(F)F)CCOC1 1509814165 FLHNWSMEPDXZQQ-CRAIPNDOSA-N 446.474 1.542 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCO[C@@H]1C 1515769785 AKYGKIVZZXJZPE-FOIQADDNSA-N 433.534 1.228 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1517881972 SITXLQRNOBWAOZ-HXUWFJFHSA-N 432.550 1.761 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1518765997 PPCKDSACRWGHDH-KRWDZBQOSA-N 430.484 1.805 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCOC4(CCOCC4)C3)C2=O)cc1 1529476846 MDJZWVVDNSLXMW-FUHWJXTLSA-N 426.473 1.608 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(CC)S(C)(=O)=O 1539165770 MVZJGMBPRFSLKT-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539219419 CGXKQBUTTQGMKF-UYAOXDASSA-N 443.573 1.745 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1539219740 MFPIOXWDLQREGC-QGZVFWFLSA-N 430.530 1.880 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1539224256 DNMHBXQUICQAAQ-IBGZPJMESA-N 439.545 1.177 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1539350261 FVGUCKAFXBDSJF-QRQCRPRQSA-N 430.505 1.970 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1539430787 OEDNNRVJRCTFQG-VIZSFHNOSA-N 431.581 1.747 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)cc2)CC1 1539447508 SZTDGVIWESIYMB-IBGZPJMESA-N 443.573 1.382 30 10 IDEE C#Cc1ccc(NC(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)cc1 1539748174 CZLHVQMYJDGTCU-UHFFFAOYSA-N 441.488 1.321 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N2CCOCC2)CC1 1539874286 DBKHKDLNLDMRBW-JOCHJYFZSA-N 433.553 1.582 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1540200555 CQWIMGCHBOMIFW-HKUYNNGSSA-N 437.610 1.836 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(C)C)CC1 1540866880 DGOAFFPTMYNYOA-UHFFFAOYSA-N 440.548 1.797 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540873779 JPPWKDJUFNWYFC-KRWDZBQOSA-N 442.545 1.207 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1540885136 CEFCVTKTJSXQGW-GOSISDBHSA-N 430.534 1.537 30 10 IDEE CC(=O)NC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541045641 HEFQKLKMISRXAV-CZIZESTLSA-N 427.509 1.177 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1541363962 RWRWHXSKFQTBRA-UHFFFAOYSA-N 431.504 1.537 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1Cc1ccc(C#N)o1 1541924419 NLDLLYSBMMKTKD-KBPBESRZSA-N 430.490 1.988 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](CN4CCOCC4)C3)C2)C1 1544873187 LXOJUOYFHABYMG-VITVIVDCSA-N 432.565 1.954 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H](C)O1 1545060262 NGKAGQOWROUILT-YAJHFMINSA-N 427.505 1.882 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1545422368 CNJDNKGKDLBQMI-DSGGYQJVSA-N 443.552 1.800 30 10 IDEE CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 1545776273 AWWAXYUKDSECPB-DOMZBBRYSA-N 430.324 1.534 30 10 IDEE CNC(=O)[C@H]1CN(S(C)(=O)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375650 UDOGRUKDOZJIAJ-MRXNPFEDSA-N 444.479 1.801 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCN1CCCO 1555744077 RXEZZOCQBMUQBF-ACRUOGEOSA-N 446.596 1.979 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@H]([C@H]4CCCO4)C3)n2CCOCCCO)cc1 1555989176 BDUKPCHGXHRMDZ-UXHICEINSA-N 427.505 1.600 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)CC1 1556208363 HFVYHHNBCWUWMR-UHFFFAOYSA-N 445.520 1.850 30 10 IDEE C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1557997319 VNXVWKOLEKSSDM-HXUWFJFHSA-N 435.933 1.879 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)n1 1563075556 DNABKXVFMMWIKU-UHFFFAOYSA-N 433.534 1.983 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 1564616134 HMBVLXVFZBNRMO-OALUTQOASA-N 434.562 1.165 30 10 IDEE C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCCc1ccccc1 1564689469 HPAVHBNFKJPCKG-LAUBAEHRSA-N 433.512 1.706 30 10 IDEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@](C)(C#N)CN(C)C)c2)CC1 1586903530 GVGMSXYHDGURCB-LJQANCHMSA-N 441.985 1.240 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1587561042 AHVXFHFTNAONRT-CVEARBPZSA-N 432.550 1.085 30 10 IDEE C#CCN(c1nnc(CC)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1588060100 ZMCFRXXCOUFHLQ-INIZCTEOSA-N 437.566 1.334 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1588986178 ZFOXDXHYWMRNDK-HUUCEWRRSA-N 431.653 1.833 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1 1589662843 CIIAUOAJGBHYLC-IBGZPJMESA-N 438.642 1.610 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595602079 DYJPALXAWJUKSG-CYJAXWMASA-N 430.553 1.214 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](F)(C#N)C1 1595759930 HPEGVCSOKGDRMB-SFHVURJKSA-N 426.518 1.239 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H](C)N(C)C 1611671854 GLSGHEHCXBVVFA-HZPDHXFCSA-N 445.593 1.879 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC1Cc2ccccc2C1 1611710504 AWBQMEWBZKTUGZ-DNVCBOLYSA-N 444.561 1.422 30 10 IDEE Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)c1 1616336175 LXGDVVLJZAJASF-NZQKXSOJSA-N 437.521 1.935 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1619989616 HTJQWTSATJSETB-BMQTXXJKSA-N 438.548 1.943 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1620354970 FQLOZRYSNBTGHU-IRXDYDNUSA-N 431.518 1.375 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1623692279 AZTHORMRVQXYAD-HOCLYGCPSA-N 443.935 1.376 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 1623867861 WERFLQYEXNFHBR-FGZHOGPDSA-N 426.561 1.793 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2cccc(CC#N)n2)c1OC 1625014709 FMLQYESELWGBAB-UHFFFAOYSA-N 446.485 1.438 30 10 IDEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)C(N)=O)c1 1626713245 DZPVCLWJWVCGSJ-QGZVFWFLSA-N 437.905 1.297 30 10 IDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)OC(C)(C)C 1631784019 ATAZAONOEHLENC-UHFFFAOYSA-N 429.926 1.605 30 10 IDEE C[C@H](CC(=O)NCC1CCN(C2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1632599189 CBZGMHLDBSMVQE-MRXNPFEDSA-N 448.589 1.511 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1636571847 VVIAYKUHFCENCX-MOPGFXCFSA-N 437.566 1.188 30 10 IDEE NC(=O)[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1c1ccccc1 1642854281 UNWXNAFQKWLLPK-ZWKOTPCHSA-N 440.525 1.233 30 10 IDEE N#C[C@@]12CN(C[C@@]3(O)CCCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1648415217 FPTHAWUPQYAJPD-JBACZVJFSA-N 433.530 1.020 30 10 IDEE CN(C)S(=O)(=O)c1cc(NC(=O)Cn2c3c(cc(C#N)c2=O)CCC3)ccc1Cl 1653108393 HSRJUKPFAAWKQN-UHFFFAOYSA-N 434.905 1.751 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)c1cc[nH]n1 1653592507 YCUAOHFFSNYXBV-SNPRPXQTSA-N 435.481 1.350 30 10 IDEE C=CCN(C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1663707722 UPCWAZNKPYSDSB-WVDZOPJMSA-N 442.563 1.608 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCc1ccccc1)C(=O)NCCn1cnc(C#N)n1 1680968733 ZEYYOFYVXDVWPF-UHFFFAOYSA-N 427.509 1.929 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCc4c(CC(N)=O)cccc4C3)C2=O)cc1 1682227995 XTQOQRHSMUGUPZ-OAQYLSRUSA-N 431.496 1.455 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 1684324879 WBRICFDYMZWFGO-INIZCTEOSA-N 448.467 1.188 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1689848663 ZIVSDROZKXZUHU-MZNJEOGPSA-N 449.559 1.590 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689990389 NUXWJOHAJMYBNE-OALUTQOASA-N 444.557 1.796 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690119876 WFFWKZZXVZNSSG-SFHVURJKSA-N 440.523 1.334 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690330185 CRJYGGOBNKGCNT-KBPBESRZSA-N 438.920 1.287 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690497514 RWLXAFHTQNCXPO-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690678309 RRSKXJRKALORNB-LNLFQRSKSA-N 433.553 1.436 30 10 IDEE CC(C)Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1692126697 FJPYATVMRKZJKG-OAQYLSRUSA-N 425.493 1.804 30 10 IDEE Cc1c(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1692935276 YDXMALJKJBWBMO-GOSISDBHSA-N 426.525 1.452 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705561012 MSWHOBCYDDXRSP-PKOBYXMFSA-N 430.530 1.759 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1705615309 OWKWCYGPEGPRGY-UHFFFAOYSA-N 438.576 1.993 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1705621795 OSPLEJPXXZAVLB-SFHVURJKSA-N 447.923 1.363 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(C(F)(F)F)c2)CC1 1705632115 IEKSOUCHKSJFKI-UHFFFAOYSA-N 435.454 1.634 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1705637539 BPCUBBADTDNNFN-UHFFFAOYSA-N 446.559 1.479 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705671227 BBGLHCMLILCRQU-RTWAWAEBSA-N 425.514 1.358 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)OC)C1 1705684954 ICNLQZKDYGRDSB-NSHDSACASA-N 438.282 1.914 30 10 IDEE C=CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1705795318 HGDURLUAURJDFM-OALUTQOASA-N 440.548 1.727 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1705838971 JHTVVLNOEJZWCB-UHFFFAOYSA-N 427.490 1.547 30 10 IDEE CCc1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709085662 ODEGIWDTDNXJLN-QZQOTICOSA-N 438.536 1.788 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1710988557 BWVUWJXZOVWHRT-CYBMUJFWSA-N 439.303 1.981 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1711026119 FOQSBKDTPWDHSQ-IRXDYDNUSA-N 442.545 1.355 30 10 IDEE Cn1cc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1711254918 HTBKAPCDFZIQKW-QHCPKHFHSA-N 448.531 1.797 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1 1712453826 AYWAQCXEXUEKCA-KRWDZBQOSA-N 433.534 1.604 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1722291164 CZVFBQQTFYOPLQ-QZTJIDSGSA-N 449.559 1.854 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N1CCOCC1 1722300239 BRTLJRILBBAHOC-ROUUACIJSA-N 442.589 1.993 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)C2CC2)c1 1722310108 SOAONMKQRRXJHZ-OALUTQOASA-N 436.516 1.710 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1722349836 CZQDZWATBONBEE-UHFFFAOYSA-N 447.421 1.423 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722364900 BPDDTACXNYKMGU-WCIQWLHISA-N 449.621 1.529 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722370836 QVGXDXMXICEOKS-FUHWJXTLSA-N 432.550 1.155 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722464867 USOVPKMXJXXPLR-OXJNMPFZSA-N 435.550 1.326 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722538199 VIMJDNRXBIGRLP-KURKYZTESA-N 440.566 1.157 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1722618819 VOVKVPUZGUGTOY-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1722630048 UFFVFLQVJYBLRS-ZACQAIPSSA-N 439.582 1.296 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1722630656 MNQPZJRJUGNVQG-UHFFFAOYSA-N 432.569 1.406 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722697130 GFLUPMRSFDPMEN-SFHVURJKSA-N 427.553 1.134 30 10 IDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1722704749 NMEJAZGAOBVHLR-UHFFFAOYSA-N 438.532 1.381 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1722750238 MBZLUEUYLHTMSR-MRXNPFEDSA-N 434.518 1.554 30 10 IDEE CC(C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723162347 DQHUPUYGBLGNNR-VZCXRCSSSA-N 441.536 1.519 30 10 IDEE CC(C)Cc1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1723282987 QYFBOIALWPEMMU-VCASGEJDSA-N 427.553 1.676 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1727801221 HZVUZLKZZVCYIZ-LHUAGQQPSA-N 437.504 1.870 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCn1cc(Br)cn1 1729077850 JFIBNBCJYXGPTP-HNNXBMFYSA-N 438.330 1.983 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)F 1729409588 OJDAVGUUMSKOIT-INIZCTEOSA-N 439.488 1.970 30 10 IDEE COCCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1730922283 NLMKHFCQWIPWRJ-KRWDZBQOSA-N 448.911 1.253 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCn1cc(Br)cn1 1740558672 UYOFSYZISZPOAC-AWEZNQCLSA-N 434.342 1.908 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1740622129 UWQYLMSWTPAJKY-KRWDZBQOSA-N 429.546 1.926 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1740623788 AVNVPYNTFYRLJE-LJQANCHMSA-N 428.558 1.605 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740637835 AKRHICFCJHDSIL-SJORKVTESA-N 426.521 1.702 30 10 IDEE C=CCCCn1c(C2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740873446 AUHQLAKHYLKQKD-UHFFFAOYSA-N 428.541 1.369 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1740875587 GJRPDIFLHAQFBV-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740880424 HWDJUXJGQORQNH-FQEVSTJZSA-N 446.596 1.655 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)cs1 1740951547 IHDKSKAJFCSBKD-ZDUSSCGKSA-N 426.568 1.197 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)n1 1742712844 IMHPYXUOXQQEAU-KRWDZBQOSA-N 435.554 1.083 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1748867524 IMONTDHUTUTWFJ-URXFXBBRSA-N 443.592 1.750 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)Cc1ccon1 1748873812 ZRIVYQHJJXZMQY-UHFFFAOYSA-N 442.501 1.417 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)CC 1748958556 AJMCBTWKKFOFFR-UHFFFAOYSA-N 429.546 1.958 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1749023322 RDEABUDXAKPYEA-ZDUSSCGKSA-N 426.568 1.496 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1749210021 AWEAQKKTEFFWKK-UHFFFAOYSA-N 443.552 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749729683 OFTMATIWQAATGQ-DLBZAZTESA-N 430.534 1.188 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(F)(F)CC1 1750417348 DHYZGAZDGCUYJO-OHTQGHCMSA-N 436.463 1.934 30 10 IDEE C[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1752148252 CUYLKXNGGZXICK-KIJUOZEOSA-N 427.509 1.277 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1760145486 PVDJYDRKYHXMDE-HNNXBMFYSA-N 432.550 1.298 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760148452 AMDCTHQWDYRXSN-OAHLLOKOSA-N 442.907 1.168 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760189053 GHAMGWYIUFHDKB-GOSISDBHSA-N 444.586 1.647 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1760194166 CMYLJRZPMIYNIC-OAHLLOKOSA-N 433.509 1.352 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760195594 FFNQCIQLHLTGLB-OAQYLSRUSA-N 434.562 1.360 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl 1760249280 YQXZQVIMKMHRJJ-LAUBAEHRSA-N 431.924 1.876 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 1760262690 WUALTUDTQIMOKU-UHFFFAOYSA-N 445.564 1.588 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760529007 TYUCLDOOAMWKNE-DODZYUBVSA-N 435.569 1.739 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCC2)C1 1760535558 SWEUEPFLNYGEDU-IAGOWNOFSA-N 440.614 1.544 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCN(C)C2)C1 1760549371 CXKOMQRIUHKOJY-QPPBQGQZSA-N 441.576 1.920 30 10 IDEE CCOCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768094747 MTLLHPKNMGLXOZ-UHFFFAOYSA-N 438.536 1.420 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1cc(C)cn1 1770045052 WZWJOBSIFJETRP-PKOBYXMFSA-N 428.541 1.384 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCCCCO)cc1 1770732701 IFOWBQWZCXGHHL-NRFANRHFSA-N 429.546 1.994 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@H]2CCOC2)CCO1 1770746990 KHVBVXUCIBXJCJ-ZWKOTPCHSA-N 428.449 1.778 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1771113465 VYSLVJHMEALDLU-UGKGYDQZSA-N 443.552 1.844 30 10 IDEE COC(=O)Cn1ccc(=NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)[nH]1 1850656963 IAVUPVXPSPPBRE-UHFFFAOYSA-N 436.447 1.892 30 10 IDEE C=CCC1(S(=O)(=O)N(CCn2ccc3ccn(C)c3c2=O)Cc2cnnn2C)CC1 1853545423 OSZGKQQHMJSQOW-UHFFFAOYSA-N 430.534 1.409 30 10 IDEE C=CCC[C@@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 1855333939 FLVJDNYGMBZVRA-PBHICJAKSA-N 434.514 1.972 30 10 IDEE N#C[C@@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)[C@@H]1CCOC1)CC2 1857232284 RWSOSEQZEREOFH-ZBFHGGJFSA-N 429.498 1.453 30 10 IDEE COc1cc(C)c(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1C 1858318992 CEXIQBLIBUWSRV-KRWDZBQOSA-N 449.554 1.925 30 10 IDEE CCCS(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 1858453509 RBYRDNAWRSDODT-UHFFFAOYSA-N 449.558 1.616 30 10 IDEE C=CCNC(=O)[C@@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861612206 MSTGIGPHIDCQMJ-FUHWJXTLSA-N 447.557 1.756 30 10 IDEE CC(=O)NCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863187502 SQOBTHLXZTUZOR-UHFFFAOYSA-N 431.452 1.845 30 10 IDEE N#Cc1ccc(NC(=O)CNC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1 1868144522 HKVWGMMXUGFGFN-UHFFFAOYSA-N 431.496 1.985 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN1CC(O)C1 1870585384 VNEUGLJWDCMWNK-UHFFFAOYSA-N 432.502 1.196 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cs1 1889501509 HTVZHDHLMXPDOP-UHFFFAOYSA-N 427.534 1.412 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN2CCCC2)cc1 1889869724 DJDJMODFFGGDGF-OAQYLSRUSA-N 446.573 1.404 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2009980435 WFTQSFLBMDGQRW-HUUCEWRRSA-N 439.509 1.826 30 10 IDEE CC(C)(S)[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2074722531 CBYSCOJLSJPILC-CQSZACIVSA-N 428.532 1.534 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124522680 WINPXCRIBAWGOW-KIFPSNHUSA-N 448.329 1.380 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124535725 NSQUYGCZCQAGCF-CQSZACIVSA-N 448.329 1.598 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cc(C#CCN)cs1 2164488275 VDTCAPATGNHFHQ-FQEVSTJZSA-N 449.529 1.502 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2255597083 ORLFSIQPHHFKJX-UHFFFAOYSA-N 433.278 1.104 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2255700031 WRCLASICUMXFMP-FVQHAEBGSA-N 429.326 1.976 30 10 IDEE CO[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255826408 ANDCTPVBHHTBHK-ZIAGYGMSSA-N 436.318 1.073 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(CNC(=O)OC(C)(C)C)C1 2255881256 SZJYRVNSJNIYMN-UHFFFAOYSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2256063964 XUBHINPAEVQQJP-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2256919864 HGEMFWNSAAIBNV-UHFFFAOYSA-N 427.310 1.925 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267265281 CZJQPHQFZKXJLW-BFHYXJOUSA-N 447.345 1.242 30 10 IDEE CCCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CN(C(=O)OC(C)(C)C)C1 2267594768 AAXGPVHAPUMGTO-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2267597812 XKOIDLYZQZIKLF-OAHLLOKOSA-N 447.341 1.435 30 10 IDEE Cc1csc(CNS(=O)(=O)C2CC3(C2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2277960933 NPAPVAWTKODBAT-UHFFFAOYSA-N 429.369 1.681 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2323148981 XTIWACWWQALVTP-YCRNBWNJSA-N 444.532 1.833 30 10 IDEE C#CCOC[C@H](O)CN(CCOC)Cc1nc2sc(C(=O)OCC=C)c(C)c2c(=O)[nH]1 36207347 GDMFRMSOVWIVHQ-OAHLLOKOSA-N 449.529 1.095 30 10 IDEE CCN(CC)C(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@H]2CCCO2)CC1 46022184 DNMZMKUMOHWEPP-HXUWFJFHSA-N 445.564 1.627 30 10 IDEE CCOc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4nccnc4C#N)C3)C2=O)cc1 219963722 OVYCOVYHHSDTFL-SFHVURJKSA-N 436.472 1.669 30 10 IDEE CCCC/C=C/CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CO)(C(=O)O)N[C@H]2c1ccccc1C#N 248235182 BUDWEQGGYOXSBZ-ZWVZHFFISA-N 425.485 1.756 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)CCO1 409492338 DELQDFXEYLLDKO-GJZGRUSLSA-N 425.511 1.529 30 10 IDEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cn1 443321784 QEXGGGIYFDJBSP-UHFFFAOYSA-N 429.502 1.660 30 10 IDEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 460810930 JRYJKIAGPSRSAE-PMACEKPBSA-N 427.549 1.920 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 478159812 WGQHEUOEDQISKC-UHFFFAOYSA-N 442.494 1.139 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 478744964 KCVYRDFBVZLPES-INIZCTEOSA-N 441.528 1.572 30 10 IDEE N#CCN1CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CC1 486377785 STMYAGGVLOODBT-PQWGXEMDSA-N 430.508 1.134 30 10 IDEE N#Cc1cc(S(=O)(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)ccc1F 488915281 PPDJANNAHRQDIL-UHFFFAOYSA-N 446.504 1.837 30 10 IDEE Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@@H](C#N)c3ccc(Br)cc3)[nH]c21 499434667 LXZMAESSMQUIJZ-NSHDSACASA-N 431.250 1.438 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC2CC2)C1 508829307 YRUCHSKBJDGVII-DLBZAZTESA-N 425.555 1.192 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 509119812 DGVFVVNTGLMZFP-CYBMUJFWSA-N 436.353 1.365 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccccc1C#N 515664415 ZWBAIFAJEXMPDJ-UHFFFAOYSA-N 442.500 1.585 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCC 543146998 LPGMIGLHHVVTEN-UHFFFAOYSA-N 441.582 1.986 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 546174723 JOBSKSJZPGSEPT-UHFFFAOYSA-N 428.518 1.235 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccs2)CC1 559105559 HRMCSKBRBONENR-UHFFFAOYSA-N 426.550 1.213 30 10 IDEE Cn1c(=O)c2c(ncn2CCC(=O)N(Cc2ccccc2)c2ccccc2C#N)n(C)c1=O 582983553 MUSXHQBPIGYMEO-UHFFFAOYSA-N 442.479 1.929 30 10 IDEE COC(CNC(=O)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1)OC 585673560 HVNMFFXJXGKJSC-BCBJWTNWSA-N 438.440 1.370 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCc4ccccc4[C@H]3C(N)=O)C2=O)cc1 609609959 GLCVQOLMBUGEEH-QUCCMNQESA-N 431.452 1.375 30 10 IDEE CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 611598172 HZMGBRWZFJFEFN-UHFFFAOYSA-N 437.456 1.888 30 10 IDEE N#Cc1ccsc1N1CC[C@H](N2CCN(c3ccccc3S(N)(=O)=O)CC2)C1=O 615456174 GNQPEFHLFJGVMC-INIZCTEOSA-N 431.543 1.195 30 10 IDEE CCOC(=O)c1c(NC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(C#N)cn1CCOC 619796579 KPYMBBUNPMNZJJ-DNVCBOLYSA-N 448.520 1.872 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn3ccccc23)c1=O 729671586 MXRZYWJHLMUDFD-UHFFFAOYSA-N 448.479 1.729 30 10 IDEE C[C@H](CN1CCCC1=O)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143214 SANFZKDTJONQGP-AEFFLSMTSA-N 445.589 1.697 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC(F)(F)F)C1=O 730143985 GMUSSEZYXXTZTC-OZWUBDKWSA-N 431.484 1.554 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 732152417 BATKHVMFPHZVJL-RWNPKEDZSA-N 426.473 1.820 30 10 IDEE Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nnn1C 744032422 FTEGCXMRTAQDOA-INIZCTEOSA-N 430.490 1.259 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 753754571 VCWBVCKTIGWMCE-ZBFHGGJFSA-N 438.575 1.344 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)CCN1C1CC1 777984812 XOCSNKRXOVVWQW-MCEIDBOGSA-N 438.576 1.190 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)OCc3ccccc3)n2C[C@H]2CCOC2)CC1 802759735 RKYGRCXUVUDKDU-HXUWFJFHSA-N 438.532 1.496 30 10 IDEE C#CCC(CC#C)C(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 803700213 GNAOXRPTQIYGMV-GOSISDBHSA-N 430.526 1.422 30 10 IDEE CC[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)OC 809942481 VEUUISISAZVLEB-AEFFLSMTSA-N 431.562 1.983 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)c1cccnc1 813717578 NIKTXGGTKDPMSF-AEFFLSMTSA-N 430.530 1.427 30 10 IDEE C=CC(C)(C)[C@]12C[C@H](O)C(=O)N3/C(=C\c4c[nH]cn4)C(=O)N[C@]31N(OC)c1ccccc12 1082553742 HHLNXXASUKFCCX-XATVMXJCSA-N 435.484 1.659 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)CC1 1130952197 IYCZDZCHSFOHJC-UHFFFAOYSA-N 440.504 1.475 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2cccc(F)c2)cc(OC)c1OC 1136475751 QTXRXWSMLSCGEY-HNNXBMFYSA-N 437.449 1.511 30 10 IDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1S(C)(=O)=O 1137883506 LBLBDAVWBJXXOF-LBPRGKRZSA-N 441.351 1.249 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)C1 1158215379 CTMIUUNNZCVKOD-ZDUSSCGKSA-N 448.574 1.528 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1171210862 YGKGVLABNVNSFY-QFIPXVFZSA-N 437.525 1.984 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 1175515257 UVYYNNLSCDRSOI-UHFFFAOYSA-N 429.514 1.692 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H](CC#N)C(F)(F)F)CS(=O)(=O)[C@@H]2C1 1178330150 OHTQNNCBOIBXHP-LPWJVIDDSA-N 439.456 1.617 30 10 IDEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3cc(O)n4ncc(C#N)c4n3)CC2)cc1 1190993801 CXNZGROHYPGRSC-INIZCTEOSA-N 434.500 1.981 30 10 IDEE N#CCc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1208067839 FTRFIOLCLXTFEB-UHFFFAOYSA-N 441.481 1.726 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1233850649 CTOKLBMSPIFSSR-JKDFXYPNSA-N 433.431 1.455 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3COc4cc(F)c(Br)cc43)C[C@H]1CS(=O)(=O)C2 1235672707 PYKDXBAYLFPDJH-LQBHMHGISA-N 444.282 1.601 30 10 IDEE N#C[C@H](C(=O)CO[C@@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 1252577754 GNPATCNSRYFVFC-SJLPKXTDSA-N 435.502 1.314 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN(c4cccnn4)CC3)C2=O)cc1 1269151764 UJTIKNUKXXMICT-SFHVURJKSA-N 433.472 1.338 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1286376093 FJLBRZJCJJDVIA-ROUUACIJSA-N 433.534 1.068 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1286386797 HQMKFLFVQCOQKC-QGZVFWFLSA-N 425.514 1.664 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286505423 ZLKWYMCYNVKVTI-OWCLPIDISA-N 448.593 1.945 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286530741 DABJITADXYYKMJ-QGZVFWFLSA-N 427.391 1.726 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC(F)F)CC1 1286663566 NNEIXNWSUHKOFI-OAHLLOKOSA-N 449.524 1.295 30 10 IDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1286677919 MJMBYUARSNRCOZ-CGTJXYLNSA-N 446.577 1.560 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2nccs2)C1 1286789331 DCXIHVXKEQCOKL-MRXNPFEDSA-N 442.549 1.476 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCc2sccc2C1 1286819502 MTLCFRHDXLFEQM-HNNXBMFYSA-N 435.575 1.844 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCC2)CC1 1286819732 UIGPFWOSQLYAES-UHFFFAOYSA-N 430.578 1.924 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1288524308 BTQYWLVRXSNBTP-KBPBESRZSA-N 436.563 1.410 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC1CCN(Cc2ccccc2)CC1)c1cc[nH]n1 1291998755 DYCSQLNHLSATBC-UHFFFAOYSA-N 427.505 1.722 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1295959431 GRIJAQBCMFRUDI-INIZCTEOSA-N 426.506 1.100 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCC(C)C 1300309466 HGSVZEGQEIWGMF-IRXDYDNUSA-N 427.571 1.132 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300492946 PSIIUSVDXZLSMY-OAHLLOKOSA-N 428.543 1.666 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)c1 1300610461 NQPJFYGVINJSBH-UHFFFAOYSA-N 428.392 1.259 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)cc1 1300664699 SLFPLDJDSYCJIB-UHFFFAOYSA-N 435.532 1.650 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)N(C)C)CC1 1300685828 SUUXMOGPVLNYBX-HNNXBMFYSA-N 434.386 1.751 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)c(OC)c2)CC1 1300699287 AWXJZBKJDUTJBA-IBGZPJMESA-N 425.533 1.797 30 10 IDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301119150 YAIAOIYFZZPFQX-UHFFFAOYSA-N 446.537 1.189 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1301257609 BUVGAPGDPYJZRD-MSOLQXFVSA-N 443.552 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1301489865 FJNOVYOLQQRCGN-UHFFFAOYSA-N 437.953 1.914 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301515347 SPGWYTJJHNFKDO-AWEZNQCLSA-N 432.912 1.514 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1301879069 ABGSQWFEYTXDIG-OAQYLSRUSA-N 438.532 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1358894026 HAXNCPQJYYYJAB-FUHWJXTLSA-N 441.561 1.399 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1358922749 PQVRKODYEBQKML-OAQYLSRUSA-N 429.546 1.724 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CC1 1359035839 FYFYRQNRLJKFHU-NRFANRHFSA-N 441.601 1.958 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359126180 HTSZFHRUVPZRBN-OAQYLSRUSA-N 425.493 1.377 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359230123 GUZGFHHKNIHEDL-UHFFFAOYSA-N 443.508 1.841 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1359347509 MLPIKIIDFNRYBF-IRXDYDNUSA-N 438.598 1.773 30 10 IDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O 1434982887 BUSPSALGWJSLBN-SFHVURJKSA-N 426.473 1.147 30 10 IDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)cn1 1448872769 AYZNKAMNVLKTKK-UHFFFAOYSA-N 449.964 1.426 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc3ccc(CCC(C)=O)cc3c2C)CC1 1455115049 LCALFMWUGUJCMB-UHFFFAOYSA-N 431.514 1.488 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@]3(C#N)CCCOC3)CC2)cc1OC 1456647140 INLKDALLFOBWCN-HXUWFJFHSA-N 437.518 1.293 30 10 IDEE O=C([C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N(O)CCCN1C(=O)c2ccccc2C1=O 1458003535 QEUBXCJXIGJHDA-QWHCGFSZSA-N 434.392 1.114 30 10 IDEE CS(C)(=O)=NCC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1473811115 UKXKOWJANWPSDV-OAQYLSRUSA-N 449.596 1.974 30 10 IDEE CCc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1498883588 HKTCRRWCULXWIB-FMQUCBEESA-N 443.552 1.450 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1503289046 BIWWRROGGUISPC-YIKLWRCUSA-N 426.546 1.548 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1504186570 ZNMDTPUKQBMKQR-IBGZPJMESA-N 437.497 1.457 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CC2)c1 1505121435 IALWASQKEXMYAY-GOSISDBHSA-N 445.545 1.894 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)(C)C 1507616272 HWIFFENGBCIQGS-INIZCTEOSA-N 448.568 1.961 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)COC 1507641809 KSCBWFQBUDYLRT-MRXNPFEDSA-N 428.562 1.902 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1507791632 ONNKOJZJGQHVRN-RBUKOAKNSA-N 444.580 1.846 30 10 IDEE C=C(Br)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1507792018 CSZLGZOFTHEEEF-CZUORRHYSA-N 449.371 1.462 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1508004164 JNLIXAFTKYFNKO-SFHVURJKSA-N 444.561 1.457 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1 1508088277 FUYQJFIPPWQODB-INIZCTEOSA-N 429.500 1.335 30 10 IDEE CC[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514112181 RHFHJLXRHQRILT-FZFLATATSA-N 427.509 1.163 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1515373029 KPMDJMSSNLICGA-QGZVFWFLSA-N 428.489 1.265 30 10 IDEE CCNC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1 1515998796 CPSGVEUDKMZOSF-OAHLLOKOSA-N 431.497 1.367 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)CC1 1533372090 BVRMQISDNDKFFL-UHFFFAOYSA-N 442.520 1.313 30 10 IDEE COC[C@@]1(CN(C)C)COCCN1C(=O)COc1cccc(Br)c1C#N 1536220520 CVEJQNCGDSEIKH-SFHVURJKSA-N 426.311 1.505 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1539125583 OLBJLJDKBSMUOM-SJLPKXTDSA-N 433.534 1.959 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539526726 TVTUNQDHWKCYHG-KRWDZBQOSA-N 428.566 1.062 30 10 IDEE Cn1nc2c(c1C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CSCC2 1540647808 JRKXKPVAUWRDCM-UHFFFAOYSA-N 431.543 1.228 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540864713 IZPQSRQIRMZAJI-GJZGRUSLSA-N 435.550 1.514 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540868279 YVUDOLJZFIYUAU-UHFFFAOYSA-N 449.515 1.815 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1555206684 PKVCPIATGBFLLV-QGZVFWFLSA-N 438.532 1.975 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1555742067 AXCSJAFGIFNBHW-FIKGOQFSSA-N 434.516 1.750 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1555812654 GLPRILWMWWQCOZ-UHFFFAOYSA-N 426.502 1.976 30 10 IDEE CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1 1557709553 XONRSWLAXIRHNH-CQSZACIVSA-N 446.495 1.990 30 10 IDEE O=C1C=COC2(CCN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC2)C1 1558605971 HRHZKNNZIHYAAX-UHFFFAOYSA-N 427.501 1.805 30 10 IDEE N#CCC(=O)N1CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)CC1 1559225560 VFYWADPVEXFTNL-UHFFFAOYSA-N 426.786 1.862 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCSC 1587639006 IWGRIGPPXFKFAJ-HZPDHXFCSA-N 429.612 1.602 30 10 IDEE N#Cc1ccc(N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C2CCC2)cc1 1588021471 DLWPYVIFECWJOQ-UHFFFAOYSA-N 438.509 1.878 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1588138264 BHUJJYUMAPHGCZ-QGZVFWFLSA-N 444.536 1.138 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(C)C 1588140353 VUQPSQSLCXKGEV-QZTJIDSGSA-N 431.587 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1588219282 PXTSTDYCUPZHBO-SFHVURJKSA-N 438.532 1.316 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1588976011 PEZKOUSQMTUWMA-IERDGZPVSA-N 442.545 1.676 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NC)CC1 1589577559 CQWMYETVTMTZAI-HAGHYFMRSA-N 447.580 1.946 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1593806779 FJCGXWRGKXYHRH-CQSZACIVSA-N 425.946 1.362 30 10 IDEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594634368 KHUDPJJUJTUNIS-SFHVURJKSA-N 426.496 1.511 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1595805386 OLGLCEIGNGBFJY-UHFFFAOYSA-N 425.599 1.772 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1598063298 SJUDHERTTRLZPO-OALUTQOASA-N 435.532 1.694 30 10 IDEE Cn1cc(-c2nc3n(c2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCC3)cn1 1603409988 GFVNDMQPNUHFAU-UHFFFAOYSA-N 439.501 1.409 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1611633566 IDHITVLPQPBRQJ-QRWLVFNGSA-N 433.534 1.492 30 10 IDEE Cc1nc(C#N)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1C 1614768634 NCCYQVTUNCCEMI-UHFFFAOYSA-N 437.909 1.685 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)NC3CCCCC3)CO[C@H]21 1616134070 IQZGNPVAZIWKOC-KCITZHQASA-N 435.502 1.430 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CC1(C(N)=O)CCOCC1 1619408490 GESSVQMXZNKNPD-INIZCTEOSA-N 426.521 1.755 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1622498230 AZQPCKZVCHENTQ-UHFFFAOYSA-N 445.872 1.133 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4CC(=O)N(C)C)n[nH]2)c1C 1623625450 TWFHUGLGCCWAMI-AYHJJNSGSA-N 439.564 1.889 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1623951112 OEPKGKWQWAMKKZ-JTSKRJEESA-N 449.378 1.760 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-n4ccnn4)ccc3F)CC2)cc1 1629484610 BPPQVCDPBOHKNS-UHFFFAOYSA-N 440.460 1.425 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC)cc2)cc1 1632238204 JFVALUBMLAEKDH-UHFFFAOYSA-N 437.543 1.032 30 10 IDEE N#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1635905657 HEFYQUVDQIACSE-UHFFFAOYSA-N 438.859 1.695 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)COc1ccc(C#N)c(Br)c1)C2 1637181059 PKDUJSSIYJKKKV-HNNXBMFYSA-N 447.293 1.099 30 10 IDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1643616840 RUFKNHGLKNGSAD-NRFANRHFSA-N 426.498 1.595 30 10 IDEE N#Cc1ccccc1NC(=O)CCN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1643957910 CVIJXTGMWAOTSQ-UHFFFAOYSA-N 441.557 1.483 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)cc1 1645812823 UHYHXZOFUUNWSM-UHFFFAOYSA-N 438.431 1.860 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C2(O)CCOCC2)CC1 1645851255 OJZWIRBTQLJRAB-KRWDZBQOSA-N 449.573 1.722 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)c(Br)[nH]3)C2)c(=O)nc1O 1648028620 HZCGPNRCOJAOJZ-UHFFFAOYSA-N 443.055 1.371 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](c4n[nH]cc4N)C3)CC2)cc1 1648721530 UPXQOXWQCWGOCJ-INIZCTEOSA-N 428.518 1.280 30 10 IDEE CN(Cc1ccccc1S(N)(=O)=O)S(=O)(=O)c1cc(Br)ccc1C#N 1655444107 HDCQYMLHPOZFIR-UHFFFAOYSA-N 444.332 1.789 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C 1659463189 ZWRCDSDYQIVAIR-UHFFFAOYSA-N 437.562 1.577 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(=O)OC 1663796432 JAAAWIDGJWEFDY-AWEZNQCLSA-N 436.939 1.214 30 10 IDEE C[C@@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1CCN(C)CC1 1687870887 HVYUDGGLGHYVAE-INIZCTEOSA-N 427.509 1.274 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1689948246 UEYOIORVMDAOKY-LPHOPBHVSA-N 445.486 1.651 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1690013150 CZIAYROOOUVFOC-UHFFFAOYSA-N 439.479 1.717 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1690047398 QBGNVDJTZKBDRS-LJQANCHMSA-N 426.542 1.894 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccnc(-n3cccn3)c2)CC1 1690152781 XQBXCZOPXHZAJI-UHFFFAOYSA-N 448.531 1.409 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690156700 ZSSYIIZSLQMWMO-OFQRWUPVSA-N 427.596 1.258 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@H]1C 1690175494 YNEPULZCPZKWPN-QAPCUYQASA-N 427.530 1.824 30 10 IDEE C#CCSCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OC(C)C)CCOC1 1690185802 HFGOGUHPRFXMJQ-QFIPXVFZSA-N 447.605 1.792 30 10 IDEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690486862 WMSLSIJWWJAUHN-UHFFFAOYSA-N 439.499 1.310 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1690526629 AJGYPDUCVIAIAH-SFHVURJKSA-N 435.550 1.621 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)nc1 1690527464 OPCPEYRFUSZWND-KRWDZBQOSA-N 432.550 1.082 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@]2(C1)OCc1ccccc12 1690659415 RXXXUAVOAAMEEG-HSZRJFAPSA-N 438.532 1.744 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1692585774 NSCKLQLAXSZOTC-PZJWPPBQSA-N 437.516 1.692 30 10 IDEE Cc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(C)(=O)=O 1693240901 COFKHWLEMPILJL-UHFFFAOYSA-N 438.513 1.833 30 10 IDEE CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1693736723 CHENLTNYGPDXFM-ZWKOTPCHSA-N 436.582 1.031 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)COC)CCOC1 1696056318 HTACQEKPGVGKHG-QRQCRPRQSA-N 442.520 1.748 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCCC2)CCOC1 1696085764 DUFZTXACLCIFLQ-UGKGYDQZSA-N 432.569 1.923 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1697679680 LLZBUTORHQJYFY-DMEQXSTQSA-N 437.504 1.728 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1705558706 GDKGIBHTKBHUPF-QGZVFWFLSA-N 449.964 1.745 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705561009 MSWHOBCYDDXRSP-HKUYNNGSSA-N 430.530 1.759 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1705570780 QTSLIHUXYXZEKX-LJQANCHMSA-N 443.573 1.511 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1705582393 AEDGRKKWKKKEIZ-HXUWFJFHSA-N 431.452 1.773 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccccc2C)CC1 1705641801 URUAUAJABIJQNP-HXUWFJFHSA-N 436.560 1.932 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705665219 NJYZOKUQDBLEHK-DENIHFKCSA-N 444.605 1.862 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705692254 DGQXGTYTPVRSIH-CABCVRRESA-N 440.342 1.866 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705704560 WNXWGXNMWJHCMQ-MJGOQNOKSA-N 446.577 1.793 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1705935005 DJGXGQIRFZJJCU-KRWDZBQOSA-N 431.562 1.931 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1706064074 NANUNKJUGJLVML-JOCHJYFZSA-N 440.504 1.251 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1710881012 KHIPXGIFJQXRAE-IBGZPJMESA-N 425.555 1.493 30 10 IDEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1712827054 RONVPXYAFBQUMQ-OAHLLOKOSA-N 442.611 1.494 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722368349 QFXIXGZNXYVFTG-QYZOEREBSA-N 435.594 1.631 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722374247 SABDVBJOIYMWIU-QFIPXVFZSA-N 438.553 1.371 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(OCC(N)=O)CC1 1722504570 GSQNHVSKIZKCTI-BEFAXECRSA-N 427.509 1.187 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722644332 WWUPJKDKMIRQTI-HNNXBMFYSA-N 445.549 1.362 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722698887 OIOYHEZRZJRLHC-HUUCEWRRSA-N 431.497 1.169 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N2CCOCC2)C1 1722721411 JQVMHNMGCWMSBP-QGZVFWFLSA-N 432.550 1.274 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1727217637 ZXQNPZDXCVWFOT-RMYFCYLKSA-N 429.525 1.712 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1731013996 LZXUILZNJJLDFY-LJQANCHMSA-N 442.545 1.680 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1731096882 QGUGQGSQNHQLPA-IUTYPILCSA-N 432.550 1.640 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCCS(=O)(=O)c2ccccc2)CCO1 1731187573 SMZNBLJNYQYUCW-FUHWJXTLSA-N 431.518 1.722 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1740620275 DAJRORQSJGIQQJ-QGZVFWFLSA-N 433.578 1.973 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625863 INVOPLPZTMCNJD-MSOLQXFVSA-N 431.562 1.897 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(OC)CCOC2)CC1 1740693315 XZLDFTKPCILZCG-QHCPKHFHSA-N 441.532 1.523 30 10 IDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1740744979 JGKYWFAIAHDOEE-UHFFFAOYSA-N 443.390 1.270 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC2CC2)CC1 1740954774 GKUNSJYTISVQBU-UHFFFAOYSA-N 440.548 1.797 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740959433 VLCQWKGABZFPTH-MRXNPFEDSA-N 432.550 1.354 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1740986967 MCIQNOOWSVYVAO-UHFFFAOYSA-N 437.541 1.657 30 10 IDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1742476964 ZWGBYYBRHZCULJ-OAQYLSRUSA-N 443.529 1.435 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1746732853 BXRJSQBJERLEOH-DYESRHJHSA-N 432.525 1.062 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748814243 BRICYWLHQKORBG-NTLWEQJWSA-N 438.594 1.944 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCCC2)CC1 1748979390 YPYCLBDQMHCBKM-XMMPIXPASA-N 444.624 1.950 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1749256882 FTHFISZDWNSJGE-UHFFFAOYSA-N 443.939 1.454 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1749733719 AIXUVPXVMCWLPX-ZACQAIPSSA-N 444.623 1.796 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749755568 JPXKIHLDAWKZBV-MSOLQXFVSA-N 435.594 1.919 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1750062619 XCHWRXIXZBYMMH-ZOCZFRKYSA-N 425.493 1.859 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1750196131 XGJCCTHKQYCGKN-SFHVURJKSA-N 426.502 1.790 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccco2)n1CCN/C(O)=C1\N=CC=CC1=O 1750915010 ITSZYVSOLQZVOX-FBMGVBCBSA-N 427.465 1.172 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC(C)C 1760165890 JUYXSBMAPPVBAY-UHFFFAOYSA-N 427.477 1.944 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760181971 FWIRKIZJVFEKOS-LJQANCHMSA-N 443.573 1.767 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCC1 1760215309 WFNCITBKIKENNR-UHFFFAOYSA-N 429.532 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCOCC)CC1 1760273476 WBMWYUSJNOHUKJ-UHFFFAOYSA-N 429.496 1.999 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1760523344 UYJKBOUFMTXRES-NRFANRHFSA-N 425.468 1.218 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760525802 RVNDABIZLWVQKK-SFHVURJKSA-N 442.589 1.975 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760526938 WGONQGRODWPRRC-QGZVFWFLSA-N 447.561 1.399 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760552440 NUMPMGDCOONIEG-OXJNMPFZSA-N 433.534 1.325 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760761655 ZFQRUKVBAOZFEX-MVZUJROASA-N 441.536 1.204 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1762033598 BDEIYDZZPJBIGG-MWTRTKDXSA-N 435.532 1.980 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1767705662 SENRBXVSVRYFTP-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1767843791 KYVKLWQKPATIRP-GOSISDBHSA-N 429.550 1.040 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1)[C@@H]1CCSC1 1768542900 BKGCCAAJBSXGDR-QGZVFWFLSA-N 447.586 1.698 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1Cc1ncn(C)n1 1769822385 FDCVXRZEDGAXDW-UHFFFAOYSA-N 443.515 1.965 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770599535 IYFMTYLGWBAASH-UDJKBAMHSA-N 426.477 1.988 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@H]2CCOC2)CCO1 1770746989 KHVBVXUCIBXJCJ-ROUUACIJSA-N 428.449 1.778 30 10 IDEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1849794548 PTOFWTZIJUJPPG-UHFFFAOYSA-N 442.545 1.730 30 10 IDEE CN1CCN(c2nc(NC(=O)c3cnn(C)c3Br)c(C#N)cc2C#N)CC1 1851714230 UNNJRQAOMYCBNU-UHFFFAOYSA-N 429.282 1.325 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@@H](COc2ccccc2C#N)OC(=O)[C@H]2CN(C)C=N2)cc1 1851918753 XIYGFHMHPLAQSZ-UYAOXDASSA-N 441.509 1.974 30 10 IDEE Cn1ncc(N2CCC[C@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)C2)cc1=O 1852054579 NCXLZYLRNSSWIN-LBPRGKRZSA-N 449.455 1.257 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CCN1S(C)(=O)=O 1853066109 IIXBKNBXGTVBSQ-GFCCVEGCSA-N 441.435 1.869 30 10 IDEE C[C@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854036999 HSVDQZOUOFVGBG-AWEZNQCLSA-N 431.445 1.524 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2cc(Br)ccc2Cl)CCN1S(=O)(=O)CC#N 1854694278 NTVOZNQNZFXCLJ-VIFPVBQESA-N 434.699 1.629 30 10 IDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1855267197 OGKZVDOZNYUKHV-INIZCTEOSA-N 431.514 1.270 30 10 IDEE C[C@H]1C(=O)N(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCN1CCC#N 1856193576 RNANLVRAOSHGPY-HNNXBMFYSA-N 436.509 1.199 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1=O 1856791978 LZARSFHPBUOZTR-YPMHNXCESA-N 449.312 1.876 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1=O 1856805426 PUVUIMVPQKGFIS-RYUDHWBXSA-N 432.857 1.361 30 10 IDEE Cn1cc(C(=O)Nc2ccc(C(=O)NCC(=O)Nc3ccccc3C#N)cc2)ccc1=O 1860856827 FCFPYPKSQZYOHC-UHFFFAOYSA-N 429.436 1.878 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCCNS(C)(=O)=O 1861878938 QNRLNDHARSBNKE-SFHVURJKSA-N 425.526 1.383 30 10 IDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(O)c(O)c1 1862607427 OANFVRMMTGLJGG-WYRIXSBYSA-N 427.409 1.828 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3nc[nH]c3c2)cc1OC 1870098396 BTXLMSOWQBQBQD-UHFFFAOYSA-N 425.430 1.833 30 10 IDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1870144124 OVWUBSJTCNUUOD-UHFFFAOYSA-N 444.407 1.883 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cs1 1889944809 FOKVMJQFOLQGJN-UHFFFAOYSA-N 438.517 1.305 30 10 IDEE C=C[C@H](O)CS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892237115 ICPWOHVQYTUXNC-VBKZILBWSA-N 445.493 1.940 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107459842 YRDZYZBVGHFJQW-IUCAKERBSA-N 433.137 1.290 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248429903 RSOUZNXFHCEMBM-GFCCVEGCSA-N 438.359 1.891 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2255685161 WJKDDMNLRKZZBN-CYBMUJFWSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696548 VNFVBLLJTBDKML-UKRRQHHQSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2256624755 YHDXOCKERULPRJ-INIZCTEOSA-N 432.326 1.761 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2256730182 BMRGIKCUZOFIOL-UHFFFAOYSA-N 433.314 1.738 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)[nH]n2)OC1(C)C 2267143304 GMXDRCRWZKIFHR-RBUKOAKNSA-N 438.337 1.434 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C2(NC(=O)OC(C)(C)C)CC2)C1 2267263081 AMUASLCIUGPJCR-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267291382 PLGZYMFCGRVRKR-HNNXBMFYSA-N 449.357 1.860 30 10 IDEE CCn1cc(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267492211 PLKFEZNOGGGOJC-ZIAGYGMSSA-N 446.357 1.797 30 10 IDEE Cn1cc(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267506474 YJNZGIVYVYOPAA-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2COC[C@H]12 2267518979 HFHGSBONUROBIE-BPLDGKMQSA-N 448.329 1.073 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267543817 KYERACAIXNXLHM-KBPBESRZSA-N 449.361 1.584 30 10 IDEE O=c1c(Cl)c(NN=Cc2ccc(O)c([N+](=O)[O-])c2)cnn1[C@H]1CCS(=O)(=O)C1 2322614598 COPXSUKLMDNLGA-JTQLQIEISA-N 427.826 1.316 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@H]1CCN[C@@H](C(=O)C=Cc2ccc([N+](=O)[O-])cc2)C1 2328106973 GEHGACARJUFSGH-AZUAARDMSA-N 436.468 1.844 30 10 IDEE COc1[nH]c(=N[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339787009 UVEVJKQTIKOPSY-GDBMZVCRSA-N 449.357 1.763 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 25761361 HVCCALIDTAAMQI-UHFFFAOYSA-N 439.537 1.767 30 10 IDEE CCOC(=O)C/C(C)=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 96133874 JAOHJMGABNVQKQ-UCQKPKSFSA-N 426.477 1.417 30 10 IDEE CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccccc3)[nH]2)CC1 253577244 WVDGOJSSLCAUPL-CIAFOILYSA-N 444.565 1.012 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1CCC(C#N)CC1 442972044 JVZCPYQIABTWHU-LEOMRAHMSA-N 441.575 1.214 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](CC(F)(F)F)C2)CC1 444705204 MEWIHDMCODMEJC-HNNXBMFYSA-N 444.479 1.665 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C[C@@H]1CCCO1 486843121 QXORYQYJLRWJSA-ZDUSSCGKSA-N 449.454 1.311 30 10 IDEE CC(C)CN(C(=O)CN1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCS(=O)(=O)C1 507213383 WEDTUIKYTQNQNR-GOSISDBHSA-N 436.553 1.491 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)n1 513565658 JTZMIPXVMKOERS-UHFFFAOYSA-N 437.410 1.704 30 10 IDEE Cc1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)nc2c1c(=O)n(C)c(=O)n2C 543927025 WMCOVXSVSZBLMM-UHFFFAOYSA-N 449.858 1.904 30 10 IDEE CCn1c(=O)c(C(=O)CN2CCc3ccc(C#N)cc32)c(N)n(Cc2ccccc2)c1=O 550572479 BAGWUDTWIPVFOZ-UHFFFAOYSA-N 429.480 1.777 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 559008320 FTZRIRBNDWZLSE-IAGOWNOFSA-N 427.571 1.438 30 10 IDEE CN(C)S(=O)(=O)c1cc(I)ccc1B1OC(C)(C)C(C)(C)O1 694986089 TVPBHAYCIIYOLD-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669410 PFKUHVQVLCTYLI-UHFFFAOYSA-N 428.477 1.429 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCN1CCOCC1 743725221 JAVHYMFYGVELNP-CQSZACIVSA-N 446.598 1.125 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)cc1C#N 747499529 ZMDKCEAYUJWNRB-UHFFFAOYSA-N 436.468 1.823 30 10 IDEE CC(Cn1cc(Br)ccc1=O)=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 761812307 ZFCVKVPFEWIKNJ-UHFFFAOYSA-N 429.252 1.873 30 10 IDEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccc(F)cc1 812749663 ANBOFUBMSGBVMF-OAQYLSRUSA-N 443.500 1.783 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)C1 915099235 MREARPBQNIEXLS-JKSUJKDBSA-N 446.533 1.887 30 10 IDEE N#CC(=NNc1ccccc1C(=O)O)[C@H]1NC(=O)C(=NNc2ccccc2C(=O)O)S1 1088734497 FSMFPOCWDWCRFC-INIZCTEOSA-N 438.425 1.989 30 10 IDEE CN(C)S(=O)(=O)C[C@H](OC(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F 1129395866 QFWQIPVQFPJRAD-ZETCQYMHSA-N 425.294 1.956 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)Cc1ccc(O)cc1 1137776935 ZPYQCVPAHNNFSD-APWZRJJASA-N 445.541 1.565 30 10 IDEE C[C@H](C#N)CN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CC1 1137930027 YTGVDQKYPWCALB-SRABZTEZSA-N 425.551 1.807 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1148505937 RBBJQBITBFNLEY-CXAGYDPISA-N 446.451 1.380 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(c3ncc(I)cn3)CC2)nn1 1150810110 ALOCEKDYVQICRV-UHFFFAOYSA-N 439.261 1.211 30 10 IDEE Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1156787797 ZRMCIXROLPUKKH-INIZCTEOSA-N 436.534 1.878 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)CC1 1227892045 LYRXMJJRFCKEIX-KRWDZBQOSA-N 443.529 1.730 30 10 IDEE COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1275049091 BFCMVIVAHIERGD-UHFFFAOYSA-N 433.534 1.518 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1286484475 OWHJSVLPVKFKPP-FDDCHVKYSA-N 441.532 1.161 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1286496078 MUEKKPZAYYHXCQ-SNRMKQJTSA-N 439.607 1.262 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286592077 GYYLUEQNSNYVGM-MRXNPFEDSA-N 435.554 1.188 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286614644 VVNUDOYBCDKZCP-FXAWDEMLSA-N 442.582 1.536 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1286786338 RAYKZQAAKUJPJK-QZTJIDSGSA-N 440.552 1.717 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(Cl)nc3C2)nnc1[C@@]1(OCC)CCOC1 1286793116 SEYGVIAJLOOJTQ-OAQYLSRUSA-N 446.939 1.844 30 10 IDEE CC(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286955054 UIJNKMOWFCQCAC-FQEVSTJZSA-N 437.548 1.868 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C3)CC2)o1 1289870160 GKPUVRLCLAQUNX-ABAIWWIYSA-N 427.427 1.987 30 10 IDEE CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1295154495 ZOEHSVSWLKXBES-QIEZACGCSA-N 444.536 1.834 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1297653565 IXIOYAADSGTCIO-HRAATJIYSA-N 447.561 1.882 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(CCOCCOC)CC3)ccc2c1=O 1300157562 OXSMHARZGJFGJR-UHFFFAOYSA-N 432.546 1.292 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC1CC1 1300298898 IJYNMCZZRGLHGX-CQSZACIVSA-N 429.550 1.222 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1300308160 MYCJIFVMFZBGNF-QAPCUYQASA-N 433.534 1.126 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@@](C)=O)CC1 1300465025 JKUZAKLBZGZLLM-INCQDFKNSA-N 437.566 1.567 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1300489098 ISMFJRFVMIGNEQ-GHTZIAJQSA-N 430.530 1.377 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@@H]1C 1300587706 TWSUEQCGFCKOJP-FQEVSTJZSA-N 431.544 1.700 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1CCN(Cc2cccc(OC)c2)CC1)c1cc[nH]n1 1300597192 XPVWYGGFNDSIHR-UHFFFAOYSA-N 443.504 1.483 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@H]1CC 1301207529 YCICOOTYKZVZNL-GOSISDBHSA-N 446.577 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1301588562 HKSAHKBIOYKHNF-ZDUSSCGKSA-N 438.472 1.276 30 10 IDEE COC(=O)c1cc(C2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)[nH]n1 1304854328 DAPBWWXZMLLJEE-LBPRGKRZSA-N 427.848 1.700 30 10 IDEE CS(=O)(=O)N1CCC(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1309044968 AMGVOMAHLOKJPO-UHFFFAOYSA-N 440.316 1.162 30 10 IDEE CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1353968053 GGFMFXGWRMNNDQ-CYBMUJFWSA-N 426.926 1.399 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1358889951 JKCGLEGRPFKMPS-YJBOKZPZSA-N 435.525 1.451 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1358930263 QZSUBVKSFBCWGH-IAGOWNOFSA-N 446.552 1.702 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)CCOC)CC1 1359032997 LXIXTELISYXIEE-HSZRJFAPSA-N 443.548 1.505 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359056500 GNCWIXUCEFCRIJ-PMACEKPBSA-N 432.638 1.755 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(C)(OC)C1 1359300519 DPXWXZNIKINFHE-UHFFFAOYSA-N 448.568 1.920 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCSC2)C1 1359313682 PUWBDASQGSMVBT-HRCADAONSA-N 429.612 1.813 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1359639445 DOBHGSUBSKYIHT-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCCNC(=O)OC(C)(C)C)cc2)C1=O 1435873999 WZFNNWFFYQASIR-UHFFFAOYSA-N 446.460 1.505 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1439607519 FDIIQDPNQYPRIQ-BONVTDFDSA-N 433.364 1.546 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3cc(C#N)ccn3)CC2)o1 1459113000 QUZWDIYOWCWUQD-UHFFFAOYSA-N 446.485 1.787 30 10 IDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])c(C#N)n2)CC1 1459186694 RYRFIAZSFTUGQD-UHFFFAOYSA-N 425.449 1.008 30 10 IDEE N#C[C@@]12CN(C(=O)c3cn(-c4ccccc4Br)nn3)C[C@H]1CS(=O)(=O)C2 1462986734 AOSUSPSWGSTXHF-ZBEGNZNMSA-N 436.291 1.040 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCCn2cnc3c(N)ncnc32)c1 1464458053 OVVANQVKRKMCNS-UHFFFAOYSA-N 429.506 1.035 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3COCc4ccccc43)CC2)cc1 1470566492 DXOOHZPNWFNMHD-FQEVSTJZSA-N 426.498 1.846 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2CCOC[C@@H]2CNS(C)(=O)=O)ccc1Cl 1473691877 YVQCNJFIXFUTDL-INIZCTEOSA-N 428.942 1.145 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c(OC)c1 1504202273 FBMWFDRFYDFYMU-YJBOKZPZSA-N 440.504 1.606 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-n2cccn2)cc1 1505002716 XLNRPNKKOSOVPH-PXNSSMCTSA-N 437.504 1.965 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1505028426 YRBVZAKYSSKSMT-DKZVUGQWSA-N 427.505 1.598 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCOCCCO)cc1 1505318057 ZBDLEFGMHSDLTD-NRFANRHFSA-N 440.548 1.517 30 10 IDEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)N1CCOCC1 1507704187 SCNGDTBRIKZZCH-UHFFFAOYSA-N 437.544 1.693 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)N2CCCCC2)CC1 1507715418 ANAHWGOCXPOFIM-UHFFFAOYSA-N 443.596 1.354 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1508040050 SFUHHKBDEKGUDZ-DLBZAZTESA-N 427.571 1.235 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(C)C)CC1 1508080432 AYNOHXQBKJCJDQ-UHFFFAOYSA-N 426.521 1.561 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)CC(F)(F)F)C1 1508121987 HHEBWBKZLGGDJP-HUUCEWRRSA-N 430.475 1.895 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508160825 XGCNSOCXOBLUKF-JKSUJKDBSA-N 429.612 1.609 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)CCOC1 1509805815 NASCDTBYVVJGFX-IOMROCGXSA-N 436.532 1.481 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1517123529 DBCIMMJIXZZTFI-RBUKOAKNSA-N 445.545 1.494 30 10 IDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1519042800 IKIAZIVMVLPVCJ-KRWDZBQOSA-N 432.550 1.571 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 1527667272 LKSZRFDONAEFNB-ZDUSSCGKSA-N 437.529 1.980 30 10 IDEE Cn1c2c(ccc1=O)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCC2 1537919335 KYEOCBBLJBFUPK-ROUUACIJSA-N 433.468 1.656 30 10 IDEE C=CCN(C(=O)c1cc2n(n1)CCN(C)S2(=O)=O)[C@H](Cc1ccccc1)C(=O)OCC 1538618441 JVLLFQNDBTULKF-GOSISDBHSA-N 446.529 1.320 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1539005611 ZWYLQJMNGUVYGF-KRWDZBQOSA-N 449.559 1.497 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1539216830 XOKBKHHGDLMWMD-OAHLLOKOSA-N 430.559 1.967 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539220366 REIQFTLNVARSTC-UYAOXDASSA-N 445.589 1.779 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1539238254 UGRQSYMNVIHNCB-XMMPIXPASA-N 441.576 1.648 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1539296611 RVENIWMESOQYMB-HNNXBMFYSA-N 434.591 1.613 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](COC)OC)CC1 1539473803 BODRLJSMSCDVKX-KRWDZBQOSA-N 446.939 1.621 30 10 IDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539744260 GYINWCZTVXIWRZ-UHFFFAOYSA-N 449.581 1.301 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1 1540597301 QCUFMHZRNKMKNP-UHFFFAOYSA-N 426.542 1.560 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1540874354 CXNCRAKORXVNBY-IBGZPJMESA-N 435.532 1.705 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1540891502 VNLFZXJFJNXWKM-KRWDZBQOSA-N 441.623 1.706 30 10 IDEE C=C(Br)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1542487058 BGAZBANCQUTPOE-JHJVBQTASA-N 437.356 1.681 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC#N 1548335296 POBSDXVBECNUJJ-OAHLLOKOSA-N 448.549 1.784 30 10 IDEE COCCNC(=O)[C@@H]1CN(C(=O)CCOC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368130 WXABWJOQVDVJKL-KRWDZBQOSA-N 442.438 1.393 30 10 IDEE COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1555126701 CRFHKUMVKIHYML-KRWDZBQOSA-N 430.534 1.762 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N2CCOCC2)CCO1 1555993084 HVENMZIPYNQEJY-AWEZNQCLSA-N 434.859 1.325 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2cn[nH]c2)CC1 1557094691 HQTBIUIDMAJODJ-SFHVURJKSA-N 444.561 1.207 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C2CC2)CC1 1559845903 BJJHFSGXIDWLSR-VQTJNVASSA-N 434.537 1.044 30 10 IDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1561575425 ZNCFJLVNAFYIAC-OHQAAIJDSA-N 428.576 1.975 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(CC)S(C)(=O)=O 1587603122 GZMSDBKATDUNTC-MRXNPFEDSA-N 447.561 1.846 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1588251653 UIABABGRCFCWBJ-UHFFFAOYSA-N 446.511 1.474 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1589559356 QJWDHAJGZBVAQH-SIKLNZKXSA-N 440.548 1.540 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1594237891 YGIBFFULFYJFKS-JKSUJKDBSA-N 428.580 1.017 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1594829284 GNEJTAXUJOTWAA-GNBUJSLZSA-N 433.553 1.652 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)C1 1595320094 OLGVNTFBIROUGT-ZKNHNOBHSA-N 425.551 1.857 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H](C(N)=O)C1 1595516225 BPZWJMCODGJSTJ-ZDUSSCGKSA-N 447.337 1.712 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2ccc(Cl)nc2C1 1595798477 PQEXGNHWKGWQLR-OAHLLOKOSA-N 437.953 1.994 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CCc4c(CC#N)cccc4C3)cnc21 1595930254 GQPUTTYDKAOFNX-UHFFFAOYSA-N 441.289 1.543 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1610417950 XXIVNUOAUUEMTA-MTNREXPMSA-N 433.553 1.989 30 10 IDEE C#CCCN(CCOC)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1622735130 XTLBVEMNZOXALT-UHFFFAOYSA-N 439.534 1.610 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)C[C@@H](C)O1 1625479769 HSRWPCYUVBSZLW-HUUCEWRRSA-N 442.488 1.148 30 10 IDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1627246940 QJHOMRDCGQKYJD-UHFFFAOYSA-N 445.501 1.335 30 10 IDEE CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1630030459 IXWQXYHTKZOOBR-UHFFFAOYSA-N 431.880 1.566 30 10 IDEE C#CCN(CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)OC(C)(C)C 1632453985 IEOBWAQMQKLKLS-LJQANCHMSA-N 429.517 1.443 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1633445707 FQNJNRVPWCSKFU-KRWDZBQOSA-N 432.571 1.775 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1c1cnn(C)c1 1634749204 ACEWFNZAZGLJCY-QAPCUYQASA-N 429.521 1.681 30 10 IDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1641522133 WUQMCWQDRNSNSO-KRWDZBQOSA-N 447.513 1.939 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)c1ncon1 1644010907 SFHNYPBTOMZDKY-MRXNPFEDSA-N 425.470 1.598 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC1(C#N)CCOCC1 1647903943 HBIFWMWEAVJKRF-HNNXBMFYSA-N 429.539 1.662 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(Cc3nc([C@H](C)OC)no3)CC2)c1 1653516145 MQFPTGVUGXUYAM-INIZCTEOSA-N 440.504 1.614 30 10 IDEE CO[C@@H](C)c1noc(CN2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)n1 1657490387 VYFJYWLDEDTFRV-KRWDZBQOSA-N 437.500 1.584 30 10 IDEE C=C[C@H](COC)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1662935647 UVXDRLFFMFZALQ-SNVBAGLBSA-N 439.271 1.866 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1685113212 FQZWAZBFMGWLPB-NRFANRHFSA-N 449.511 1.416 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1689832130 XGAQVJJQFIFHGW-TXBYWVTISA-N 443.523 1.871 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CN2CCOCC2)CCCCC1 1689965983 ICTBUNAAGILFTE-IBGZPJMESA-N 449.621 1.532 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690179122 NJYKTDUTPWSERC-HXUWFJFHSA-N 426.590 1.931 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)CC(N)=O 1690663278 RGIARGCNYOUCNK-JTQLQIEISA-N 441.355 1.771 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1690670106 ZBPJGJOFZRXHNN-HNNXBMFYSA-N 428.541 1.676 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690670358 AELQVNQZVWEVAO-OPAMFIHVSA-N 429.496 1.711 30 10 IDEE C=CCNC(=O)Cn1c(N(C)CCN2CCOCC2)nnc1C1(c2ccccc2)CCC1 1690676942 IZYMVGUERWHXEX-UHFFFAOYSA-N 438.576 1.819 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690723979 FSHUJWIDCZGVDN-HNNXBMFYSA-N 432.612 1.481 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1705490141 CWHRNRHDQPWXBS-XDHUDOTRSA-N 449.559 1.760 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705579784 SEYJWRSIUZBLKD-UHFFFAOYSA-N 435.509 1.895 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1705627654 MVHXRTTYJMMIBI-JKSUJKDBSA-N 434.541 1.571 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1705637520 ARVFLTYQDXJWGW-WOJBJXKFSA-N 439.608 1.927 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1705675290 ZXHPDFLVQNGZII-WIYYLYMNSA-N 447.536 1.791 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1705830509 RGOLGNRZCCMLKE-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@@H]1C 1705877617 BOSULOAIUCJAJI-VGSWGCGISA-N 429.521 1.882 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)c2ccccc2C1 1705907126 ANHNKNIVUBZQKN-UHFFFAOYSA-N 434.548 1.898 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC(C)(C)C2)C1 1705915776 WFJIRCOEBSXVDV-SFHVURJKSA-N 432.569 1.406 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1707798209 LXZMWPSQHJORDZ-XUTLUUPISA-N 449.519 1.786 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCCOC)CC1 1722336408 WRHSFKKKRIVZIK-UHFFFAOYSA-N 449.559 1.909 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722361609 IDENVBDOKLOXGN-AEFFLSMTSA-N 430.530 1.617 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(N(C)C)CCSC1 1722376801 CYWJXUIFYBZPCQ-JOCHJYFZSA-N 447.572 1.431 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cn(C2COC2)nn1 1722403002 KAQOSQHJLFEDNF-UHFFFAOYSA-N 434.504 1.818 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCC(=C)C)CC1 1722438122 MSEJYSPWZXBEIQ-UHFFFAOYSA-N 447.543 1.540 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722444949 PYZVASVXJLQSBQ-GOSISDBHSA-N 426.496 1.036 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722446039 KMQXMORPTBAAHV-LJQANCHMSA-N 449.559 1.529 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722464550 JLQSAFYOCQRICF-UHOSZYNNSA-N 430.578 1.545 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1722672203 MCCCFZXAINQBAV-QGZVFWFLSA-N 436.513 1.372 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@H](COC)C1 1722695246 XTJVRVAOSQXBRD-HOCLYGCPSA-N 429.477 1.216 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C)C1 1722727232 GZUKWLQHWWLZBC-MAUKXSAKSA-N 434.518 1.617 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1730892845 XPGYBFFUMFIGJR-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1740609120 LBUFTEJUFAWYIK-KRWDZBQOSA-N 436.516 1.940 30 10 IDEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1740742923 GNOCYQCBHYUEMC-UHFFFAOYSA-N 429.344 1.543 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740786532 HENWVAFSXAHEKO-IRXDYDNUSA-N 439.520 1.766 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740868370 JVKXNOGWMQDBOQ-YOEHRIQHSA-N 436.586 1.904 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(C)=O)nc2)C1 1740979814 LMLHJGQCLPJCGL-SJORKVTESA-N 425.493 1.412 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC#N 1741284547 CCGZLKHKEAKDAS-INIZCTEOSA-N 436.524 1.821 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741472541 PIOATTJFRYKELJ-VXPUYCOJSA-N 443.552 1.308 30 10 IDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)c(=O)n1C 1742234858 AVVTTXNKBDFWNJ-UHFFFAOYSA-N 447.499 1.111 30 10 IDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747346908 KJFIUQAFEQTGTK-FQEVSTJZSA-N 433.534 1.229 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1748667486 VDVXMUFADUYCLT-ULQDDVLXSA-N 428.562 1.822 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1748670878 DFGSIVGPCSSISO-RHSMWYFYSA-N 437.591 1.741 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1748818015 UOIIIRUUUUQDFR-SJORKVTESA-N 447.586 1.574 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1748820638 GNEYITDWWCFBBE-IBGZPJMESA-N 430.578 1.843 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)cc2OC)CC1 1748971715 ZPHUCIMJXSZWPQ-UHFFFAOYSA-N 440.548 1.431 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NC(C)C)CC1 1748977796 DGQYLEZLCVZIPV-UHFFFAOYSA-N 448.369 1.326 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749042943 BMFWJKCLCUNCKT-QGZVFWFLSA-N 427.530 1.907 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749677307 VMYABXBGKMXDSM-IBGZPJMESA-N 427.553 1.723 30 10 IDEE CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 1749896363 CMRXWZMFOOVFCY-AWEZNQCLSA-N 432.492 1.365 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)n1 1751844769 BINCRIIBMKHNFS-SFHVURJKSA-N 435.529 1.549 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1760116910 LCJOJQMYJOBKCQ-DOWNOZBLSA-N 449.552 1.584 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760189373 IHPTYZLBWUIJCN-GHTZIAJQSA-N 429.546 1.460 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1760219852 QATWNNQLDLHFTE-SIKLNZKXSA-N 435.528 1.974 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCN(C(C)C)CC1 1760224020 USUYDSOLKSKVRM-UHFFFAOYSA-N 437.592 1.838 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2sc(C)nc2C)CC1 1760257160 QFKQJNGRJAAUNC-NRFANRHFSA-N 430.578 1.807 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](OCC)C2CCCC2)CC1 1760260479 ULJBPXPPFWUDBI-UXHICEINSA-N 428.581 1.970 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC)c(OC)c2)CC1 1760260627 ZTEZZBMUTQRJJB-GOSISDBHSA-N 438.532 1.440 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](COC)OC 1760292757 IAFXBXXCBABHQE-HRAATJIYSA-N 446.577 1.892 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760306277 ATZXAYQUUZTZPK-NEPJUHHUSA-N 438.286 1.407 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1760490864 LQIPFDPNRKLHIZ-QGZVFWFLSA-N 444.561 1.652 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760513067 IQDSPQKXHGOBQB-CVDCTZTESA-N 446.596 1.638 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760519537 HOPXVNMVIBEXHJ-HNNXBMFYSA-N 442.520 1.322 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1760528569 GUWDSXAYEZHUER-NRFANRHFSA-N 445.524 1.308 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760554446 DSPUWGMHBVREMI-QGZVFWFLSA-N 436.582 1.569 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)OC)CC1 1760556394 CCRGLMMBQPNPDD-UHFFFAOYSA-N 433.534 1.254 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1760557845 XNZIJAGKLOHVBF-AWEZNQCLSA-N 449.499 1.780 30 10 IDEE CCNC(=O)C1(Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)[C@@H](C)CC#N)CCC1 1765612541 AZBPGZCOWUMYMH-INIZCTEOSA-N 448.535 1.966 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1767215002 GGUJKCPDFQATHL-UHFFFAOYSA-N 447.490 1.357 30 10 IDEE CCOCc1nnc(N2CC[C@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767826636 XKLRDMVWSXSTJJ-DNTCVELPSA-N 426.477 1.928 30 10 IDEE CCOCc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1767919320 QGXFCQGPUKYFOP-QNFDFVDRSA-N 430.509 1.489 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC(=O)N(C)C 1767942944 SMYLYRGXXGASLI-UHFFFAOYSA-N 426.525 1.276 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CCOCCCO)cc1 1770732902 MBRGGRYLCICUCE-LJQANCHMSA-N 438.532 1.711 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)ON1C(=O)c2ccccc2C1=O 1772792248 JACXCEWSCSXFPG-UHFFFAOYSA-N 444.343 1.618 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1849367693 USPUWLKWZSRPPH-LJQANCHMSA-N 449.577 1.671 30 10 IDEE C=CCN1C[C@H](C(=O)OCC[C@H](c2ccccc2F)N2CCS(=O)(=O)CC2)CC1=O 1852861419 JCWMUQPCYUUZDA-VQIMIIECSA-N 438.521 1.565 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)cc1 1854453866 FSOUSSLMGINMKY-IBGZPJMESA-N 429.542 1.662 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cnnn1C 1854536901 KNHNJYIFVZGMJO-OAHLLOKOSA-N 429.502 1.664 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)/C=C/C(=O)O)cc21 1858751406 GFQLQFVSTMGPLX-BQYQJAHWSA-N 437.408 1.834 30 10 IDEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870458915 ALKCYAZSNUCQLO-UHFFFAOYSA-N 443.544 1.611 30 10 IDEE CN(CC1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)CC1)c1ncccc1C#N 1889906656 HQHRASTURVBFQL-IBGZPJMESA-N 425.533 1.656 30 10 IDEE C#CCO[C@H]1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891387834 RZMOIYOPYPQWRH-SJORKVTESA-N 435.509 1.870 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(C)(C)O 1993308262 FVDCNYFADFWYIJ-KGLIPLIRSA-N 426.514 1.622 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2015034569 QKUBKQWYHCNYKD-MFKICJERSA-N 437.537 1.924 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H](O)C1 2022831990 ZMYHWEKMQYZIFI-JYJNAYRXSA-N 438.525 1.576 30 10 IDEE Cc1cc(C#CCN)sc1CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2157016350 YLSWKKDYDOXNBQ-UHFFFAOYSA-N 445.566 1.863 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2243217914 CMMTYVJRYPDNPD-HNNXBMFYSA-N 428.530 1.919 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248411715 BCGRHWJUCJBCHM-UHFFFAOYSA-N 439.343 1.610 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255534295 FSISXMIRLWSCBM-NRFANRHFSA-N 435.330 1.386 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255610378 NLSKXEFZVOMDAM-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CN(C(=O)OC(C)(C)C)C1 2255658557 FYSMQPWZVRCIGL-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255681690 VUQPZAQVHPZSIQ-SJORKVTESA-N 432.326 1.696 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255698583 JMSJETXAPXJTHZ-MRXNPFEDSA-N 425.342 1.461 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)COC1 2255808851 PALDOKZEPAINID-UHFFFAOYSA-N 433.314 1.404 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCON(C(=O)OC(C)(C)C)C1 2255815240 KUFVSAWVCZYYGB-ZDUSSCGKSA-N 436.318 1.390 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2255826294 NQQISCTZLIWJFA-UKRRQHHQSA-N 432.330 1.790 30 10 IDEE CN(CCCN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255838884 NACMBKRWIIEYLO-UHFFFAOYSA-N 437.350 1.443 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H](C3)N2C(=O)OC(C)(C)C)n1 2255839477 WNIYZJCFKPWFDX-STQMWFEESA-N 433.318 1.643 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267163550 IKXHFASXNYSLTH-HNNXBMFYSA-N 448.329 1.142 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@@H]1NC(=O)C(F)(F)F 2267271818 URPPMXNDUXXWGZ-JSGCOSHPSA-N 443.275 1.853 30 10 IDEE Cc1ccnc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267507845 VRVCCPNUIXRWFT-UHFFFAOYSA-N 449.357 1.648 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267542876 YJTRNJAHIKAZSC-UONOGXRCSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2299062787 FULIXOREGDHAEH-AWEZNQCLSA-N 444.359 1.065 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315612052 UUGWGMZBLYOCJM-KRWDZBQOSA-N 429.326 1.369 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2334263219 SGZBLLFBUFNBCM-IIAWOOMASA-N 446.357 1.847 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C 2337189467 BJDORFWOENEIFO-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE Cc1cc(C)nc(N/C(=N\C(=S)NC2CC2)NCCc2ccc(S(N)(=O)=O)cc2)n1 14157923 CFELOUNYQPGFIZ-UHFFFAOYSA-N 447.590 1.378 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC(=O)NC(C)(C)C)nnc12 18281997 HWBXTOQNMABRGI-UHFFFAOYSA-N 442.545 1.695 30 10 IDEE C=CCN1C(=O)N[C@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(C)=O)CC1 35991764 VOJLDWMIMDWDEV-LJQANCHMSA-N 432.546 1.982 30 10 IDEE C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 467834043 FQMXJWXJSBGNPK-DNVCBOLYSA-N 433.468 1.838 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)c1C#N 471708941 JNNXTGHEKVGIRM-AWEZNQCLSA-N 428.443 1.580 30 10 IDEE N#CC1(NC(=O)Cn2cc(Br)c(O)nc2=O)CCN(Cc2ccccc2)CC1 482554764 OTQVJMFKQWVVTJ-UHFFFAOYSA-N 446.305 1.386 30 10 IDEE N#Cc1ccccc1COc1cccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 496372932 VQXGHTXORUIGLN-UHFFFAOYSA-N 448.523 1.754 30 10 IDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 509010155 FBHHJAJZKWYXJN-IYBDPMFKSA-N 436.538 1.200 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 513347642 COAXJRMWCBPMLA-GOSISDBHSA-N 443.525 1.561 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 522674708 BCZDKYOMZOCTGK-GOSISDBHSA-N 436.533 1.896 30 10 IDEE C=CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541759945 ZACGBZQIPMIPJC-UHFFFAOYSA-N 443.525 1.653 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2CCc2ccccc2)CC1 549178389 KEAUEAFPPXKHHP-UHFFFAOYSA-N 433.560 1.951 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCO2)CC1 555398344 DWJTWTJTPFHXGU-IBGZPJMESA-N 442.539 1.611 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 558906194 RZMDZBLEGGSMKY-LJQANCHMSA-N 445.545 1.263 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@]2(CNC(=O)C2)C1 558996927 XTPNUYIFTQUPHK-QHCPKHFHSA-N 433.516 1.875 30 10 IDEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 582153274 MNVWXERUIKJCNX-UYAOXDASSA-N 434.468 1.676 30 10 IDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 585088976 VIDWEYDVWOYYEN-FQEVSTJZSA-N 448.525 1.129 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N=c3nc(C)[nH]n3-c3ccc(C#N)cc3)CC2=O)c(OC)c1 610110428 XNACEUCWXRYIMA-MRXNPFEDSA-N 446.467 1.878 30 10 IDEE CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 611839294 JGVBMXVRMZBIOQ-UHFFFAOYSA-N 437.913 1.353 30 10 IDEE CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 612804053 MCYIEPABWIFZCH-UHFFFAOYSA-N 428.518 1.034 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O 694910132 YVAJWZWWASXXHF-AWEZNQCLSA-N 435.433 1.413 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 726574166 BEFMJGRFNBVFDA-BBRMVZONSA-N 428.558 1.557 30 10 IDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 732495608 DVIXMYFJZNZMAB-FPOVZHCZSA-N 446.463 1.818 30 10 IDEE C[C@@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732665933 AVDWJMTTZJFBQF-VGSWGCGISA-N 425.489 1.288 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CC(F)(F)C2)C1=O 757916537 WIFPVDGQXKBRPD-XZHXWOGCSA-N 439.532 1.790 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@@H]1CCCCO1 758097617 DZXTYDAYPUYHQY-KRWDZBQOSA-N 443.573 1.115 30 10 IDEE CCOC(=O)C1=C(CN2CCN(c3cccc(C#N)n3)CC2)NC(=O)N[C@@H]1c1ccccc1 760913237 MMOVCTCQQRUIIM-JOCHJYFZSA-N 446.511 1.947 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 764993691 DMVKKLFHEGVQGA-UHFFFAOYSA-N 449.532 1.280 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 775126657 WRLCYUGDHDMBFP-SFHVURJKSA-N 437.585 1.699 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(CO)Cc2ccccc2C1 781101234 RXCFKRUSXNGLJJ-UHFFFAOYSA-N 441.553 1.932 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCN(C(C)=O)CC3)c2)cc1C#N 782119677 QQCZXEJFUZEHQE-UHFFFAOYSA-N 449.511 1.486 30 10 IDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Br)nn2C)c1=O 782587759 XKQZRKNUFZCDIW-UHFFFAOYSA-N 435.347 1.688 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 783014439 UARSVOYEVITJAT-UHFFFAOYSA-N 430.368 1.877 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2sc(C(=O)OC)cc2OC)n1 788695715 ZPNGGHVPRRPRIJ-UHFFFAOYSA-N 427.504 1.210 30 10 IDEE CCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(CCC)c2)c1=O 794595954 PFCOVGHPYBLERH-QGZVFWFLSA-N 428.558 1.815 30 10 IDEE CCn1nccc1CN(CCO)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 797616146 PRBDQYQRKYYSIU-NMWGTECJSA-N 448.549 1.742 30 10 IDEE C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC(=O)N1C 800528702 QQFCVPGWUTXFEV-CYNURGJPSA-N 435.550 1.974 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 800784874 YOQWRQXDRRTUMM-GOSISDBHSA-N 428.493 1.232 30 10 IDEE COc1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)ccc1C#N 810866747 JEPAXRUQEDEUCZ-QHCPKHFHSA-N 436.468 1.967 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 814850395 LRFBYRWSDZPYQR-UHFFFAOYSA-N 440.411 1.854 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)C2)nc1 816836871 CUILTGBFWVSFNW-LBPRGKRZSA-N 426.376 1.935 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)C1=O 1130521161 PUNLLVNZOJLPQI-QFIPXVFZSA-N 429.473 1.379 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)(S(C)(=O)=O)CC1 1132647593 LIUVJIHIVGCUGA-SFHVURJKSA-N 447.557 1.956 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1132668615 YFIFKCGUJNPIPR-UHFFFAOYSA-N 437.518 1.789 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCCC2=O)cc1)c1cc[nH]n1 1136338801 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436.560 1.979 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CCO1 1359446655 GLHCBBHGMRZRQI-NRFANRHFSA-N 437.548 1.644 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c1 1441763367 DLDJHIUORFLQNZ-PZJWPPBQSA-N 437.471 1.408 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC4(CCNC4=O)CC3)CC2)cc1 1455441776 CGCFAIDBFNRGOS-UHFFFAOYSA-N 430.530 1.088 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1456477941 SBBAJFJKBGJNEL-KSSFIOAISA-N 431.518 1.176 30 10 IDEE N#Cc1ccc(F)c(CS(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c1 1463037591 CYNDAZSCWJMPDV-UHFFFAOYSA-N 430.505 1.461 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 1466064756 RKMHKTGFSAJLRI-NSHDSACASA-N 434.287 1.517 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 1466499418 NQQGTMGYZLTGTP-UHFFFAOYSA-N 439.231 1.922 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H]3COc4cc(F)c(Br)cc43)C[C@H]1CS(=O)(=O)C2 1469944942 PYKDXBAYLFPDJH-LUFJJVMOSA-N 444.282 1.601 30 10 IDEE C#CC[C@@H]1CCCN([C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1473581130 ISCNUFRJHIZHTE-DLBZAZTESA-N 433.553 1.434 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCCc2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1478966337 QIVLXIJOEBNTBQ-MSOLQXFVSA-N 448.545 1.529 30 10 IDEE C#CCN(C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1479088868 ZEOIELHTESOOFV-BRWVUGGUSA-N 427.567 1.902 30 10 IDEE CSc1ccc(CNC(=O)NCC(=O)NCC(=O)NCc2ccccc2)cc1C#N 1479281212 CDXXGHGIBHSJRN-UHFFFAOYSA-N 425.514 1.512 30 10 IDEE CC[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)OC 1497281541 AZXXVFRRQHLABZ-JKSUJKDBSA-N 437.504 1.829 30 10 IDEE COCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504551731 IAPIRDAZKCVOQI-SJORKVTESA-N 440.552 1.831 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1507544703 AUIYODSHIJTVEY-IWKHNONTSA-N 438.463 1.981 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507560117 BQPQWTMVKNGVLL-IAGOWNOFSA-N 436.582 1.141 30 10 IDEE 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CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CCOC 1514377761 BLKABTQINIGDIG-LPHOPBHVSA-N 441.536 1.679 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCOC1 1517066450 DZQGXYDXGTWNCF-CQSZACIVSA-N 438.410 1.632 30 10 IDEE COCC1=CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1518822509 SNYIFTOUSRTNST-UFVMTTLYSA-N 442.520 1.481 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539210493 CEIBMQZMVLPRID-JENIJYKNSA-N 448.545 1.525 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539526194 LDYBJRJXBNUTEE-HXUWFJFHSA-N 443.573 1.873 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539742522 DVRWAMWGIOXCTK-MRXNPFEDSA-N 435.554 1.093 30 10 IDEE C=CC1(CC(=O)NCCCN2CCN(c3ncccn3)CC2)CN(C(=O)OC(C)(C)C)C1 1540619013 LJZDDGNIGPJAPU-UHFFFAOYSA-N 444.580 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(Cc1ccnn1C)C1CC1 1540901858 RLXMCELCCGLPAJ-UHFFFAOYSA-N 430.538 1.182 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540916259 VBYVNIAPRZKZJJ-HZPDHXFCSA-N 434.566 1.912 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1541657240 FCBOZBGUPKBDRX-AUUYWEPGSA-N 443.474 1.214 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1545877643 IKECEFZDAKCQBG-HXUWFJFHSA-N 431.472 1.548 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 1556782714 QKWHSFNDQRNJIM-PMACEKPBSA-N 443.525 1.607 30 10 IDEE CO[C@@H](CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCOC1 1565053213 ZTEINHDDCKAZCS-KUHUBIRLSA-N 430.484 1.749 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCNC(=O)c1ccc(Br)cn1 1587201198 CRIDPQAEANFOAP-UHFFFAOYSA-N 446.305 1.912 30 10 IDEE COC(=O)C[C@@H](C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1587763699 QSYQVQDEICIAHX-GRJHGRLYSA-N 448.564 1.869 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCOCC1 1587989658 MAZANRPVPJSGRK-KRWDZBQOSA-N 449.552 1.588 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1588432692 HJUFLEIVUKTELG-KRWDZBQOSA-N 426.496 1.343 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)CCC(C)C)CC1 1588884660 IWESOUCYYTUJNW-QHCPKHFHSA-N 446.596 1.569 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1589078248 KUPAFTJRQBSPRW-UHFFFAOYSA-N 426.590 1.645 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C(N)=O)nc1 1589615955 XDZGXMVSTXMSQH-UHFFFAOYSA-N 444.503 1.865 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC)[C@H](C)C1 1595576888 AREAPWNVDWIEKX-OAHLLOKOSA-N 431.566 1.102 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1nncn1C 1595784822 KWSUSJVFPDOMEQ-MRXNPFEDSA-N 428.522 1.411 30 10 IDEE C=CC[C@@H]1CCN1C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1603352896 IHIYEQCHVYKZPI-OCCSQVGLSA-N 433.452 1.795 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612895542 PPFQDGWLOBINMK-XQLMRJDBSA-N 430.509 1.312 30 10 IDEE N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCOCCNC(=O)CC2)cc1 1614594395 IQRUGKMZBSSOGF-JOCHJYFZSA-N 448.523 1.655 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1618536255 PTJBFBQIPPWRMK-QFBILLFUSA-N 426.521 1.831 30 10 IDEE COCCn1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)cn1 1619925587 HEKYXIPAEYYYMD-MRXNPFEDSA-N 443.458 1.767 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1620080759 IUAXKAQYQGVVGH-UHFFFAOYSA-N 442.520 1.450 30 10 IDEE COc1ccc([C@H](CO)N(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1624111686 FYHJWXLOXURRCM-SFHVURJKSA-N 431.514 1.706 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(=O)NC[C@H]3c3ccccc3)C2=O)cc1 1626571315 RARPERHKIXMJOG-MOPGFXCFSA-N 431.452 1.463 30 10 IDEE O=C(C[C@@H]1C(=O)Nc2c(Br)cccc21)NCCN/C(O)=C1/N=CC=CC1=O 1632879894 ACUVTINSJSAZSQ-QHKYSRAXSA-N 433.262 1.518 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCCN(CC(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1637044275 ALAQRUVGIAKHNF-OLZOCXBDSA-N 432.468 1.647 30 10 IDEE C#C[C@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1640968694 PFGDPYJUTBTMJD-JOCHJYFZSA-N 433.574 1.835 30 10 IDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1cccnc1 1643577030 CBQWSTFFPXNKTD-UHFFFAOYSA-N 436.563 1.158 30 10 IDEE COC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1644448793 LSYKOCDKIORNIP-HSALFYBXSA-N 432.496 1.235 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1648586812 SZOFJIWCVQRQND-HKUYNNGSSA-N 435.502 1.827 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1652173856 ZTPAZQPXOCZSNS-UHFFFAOYSA-N 447.557 1.072 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 1654737306 GYSARDXXYKMTDN-CVDCTZTESA-N 437.569 1.586 30 10 IDEE C#CCN(C[C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1658460962 MEMRDXXCTQHZIY-MJGOQNOKSA-N 438.594 1.534 30 10 IDEE CC(C)(C)OC(=O)NCCCCCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1682206025 YUFYCWMOHGGYNI-HNAYVOBHSA-N 428.555 1.651 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C3CCC3)[C@H]3CCOC3)CC2)cc1 1684689744 PUJSIHGFOZXJLZ-ICSRJNTNSA-N 432.546 1.779 30 10 IDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1686084807 TUNFHYLDTXJDDY-DNVCBOLYSA-N 437.422 1.764 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1689853495 UNVUYBZIVCPSMS-CVEARBPZSA-N 427.571 1.132 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCOCC1 1690101231 SSVOMXMTOJZPGL-UHFFFAOYSA-N 446.577 1.751 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN(C)CCOC)CC1 1690117507 JYOBJILKRKMTIZ-UHFFFAOYSA-N 446.983 1.941 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)CC1 1690122470 RUFNLOIQEYQCMU-HNNXBMFYSA-N 436.413 1.589 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1690361438 UHUYRXDOIRQWDN-UHFFFAOYSA-N 446.552 1.964 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1690672357 PKGNUCUZYBSKST-UHFFFAOYSA-N 431.585 1.056 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCO[C@@H]1CCCC[C@@H]1C 1692799006 DWIAGSXKKANPAN-MWDXBVQZSA-N 440.570 1.212 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1694221890 BUYQXKJGPASSTA-LPHOPBHVSA-N 437.504 1.762 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 1698301979 PKKYGNAILUIHLT-QGZVFWFLSA-N 445.545 1.779 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCOCCCO)c1 1698486186 UBZOLNUUNDXYAZ-OAQYLSRUSA-N 440.548 1.517 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C1CC1 1705545215 SWKDXRPICQRWNE-INIZCTEOSA-N 430.578 1.748 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1C 1705623801 FFEAIGXNVJVKJS-MJGOQNOKSA-N 436.520 1.679 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705729191 OHVDPBVVIJRZLX-OTWHNJEPSA-N 432.569 1.321 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705935877 FUPBRUIJFLDZHL-CVEARBPZSA-N 441.554 1.098 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1710881013 KHIPXGIFJQXRAE-LJQANCHMSA-N 425.555 1.493 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722338680 LAXRKBXREINDNQ-UHFFFAOYSA-N 433.582 1.461 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722367477 NLMBORFBDGRSMB-RBUKOAKNSA-N 435.594 1.285 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O 1722374834 BYNYPYJIRCHRPA-UHFFFAOYSA-N 447.948 1.715 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1722432703 YZACTFQUAJOBEZ-RTBURBONSA-N 448.637 1.535 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1722432944 UIAUJJMHLSDBPY-QHCPKHFHSA-N 438.532 1.922 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722463041 VYTKILCPZHBJFO-UHFFFAOYSA-N 432.594 1.462 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)CC1 1722485815 XDNLHZAEASSHFN-CQSZACIVSA-N 427.347 1.296 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722694665 DEDSABLDLVLVPX-WMZOPIPTSA-N 440.548 1.937 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722700530 LPVUIZXPMOOLRK-LJQANCHMSA-N 436.520 1.360 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2cnn(C)c2)CC1 1722726161 XMQKUZAHMMYKEU-UHFFFAOYSA-N 449.581 1.135 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CC#N)CC1 1722796050 QGVYUQYEQQCNOU-OAHLLOKOSA-N 430.944 1.896 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO2)C1 1723007348 HVPXLOHKUBRDIJ-VVLHAWIVSA-N 432.525 1.957 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1723867732 BQEUOBLCQCHCHN-WOIUINJBSA-N 432.569 1.779 30 10 IDEE C[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)COCCO1 1724045499 PJQVHXBKAHILDE-NRFANRHFSA-N 445.545 1.894 30 10 IDEE CCOCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OCC)CCOC1 1729139638 WEXLADKGNLKWNF-JOCHJYFZSA-N 442.520 1.892 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1740542767 BQUVIPUSMQNYBH-FOVZNYCQSA-N 448.483 1.701 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740592513 YTZVVNMNOWVLNP-ZWKOTPCHSA-N 443.577 1.489 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740624947 LLLFGGYHNWZTEP-IBGZPJMESA-N 445.564 1.731 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1740684228 LLUKVQUAFLMDPX-INIZCTEOSA-N 434.541 1.572 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 1740698526 HRHOTHKAHFLJRE-UHFFFAOYSA-N 441.601 1.643 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)CCOC)CC1 1740708645 XBHZZVUNZBJKOH-JOCHJYFZSA-N 445.589 1.684 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740795477 WALVPJRXYQANKI-ZWKOTPCHSA-N 439.582 1.379 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(F)cccc2OC)CC1 1740942922 SDQZJFLQDGFIOO-AWEZNQCLSA-N 438.529 1.549 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)CC1 1740952299 ZIHZOFFQJGBTCL-HNNXBMFYSA-N 430.484 1.528 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1741003529 WKQNLEDMMBGUMW-BTYIYWSLSA-N 448.593 1.906 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1741801945 HYDYNJUTCCZUOM-KDOFPFPSSA-N 436.476 1.682 30 10 IDEE Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742793257 DNTBRBSYQMFMKC-HEWTWTGNSA-N 445.524 1.464 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCCOC 1743744583 OHNMHHSBDPKCFD-INIZCTEOSA-N 430.557 1.695 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1748814255 BVHMKJZDQWSIJR-INIZCTEOSA-N 433.509 1.785 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](COC)OC 1748912502 FIMRIEWZGKGOQC-MRXNPFEDSA-N 434.566 1.668 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(C)CN(C)C2=O)n1 1748970530 IMYJKKMAYKTPMZ-QFIPXVFZSA-N 427.553 1.537 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1749037388 CJJLESHKGFOORX-QFBILLFUSA-N 441.623 1.604 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@H](C)C2)CC1 1749304214 XJQTULAAIUDZFO-RTBURBONSA-N 437.610 1.838 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1749354142 JUKMJLDGUIOZJD-DNVCBOLYSA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749680578 MNZJIMMBYPIJIL-MOPGFXCFSA-N 438.532 1.715 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)c1ccccc1 1750005657 CQABKBAGXLSPBW-DLBZAZTESA-N 449.533 1.205 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1C 1760173451 VXSPVINCOWBDTH-FUHWJXTLSA-N 431.562 1.937 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCCN2CCCCC2)CC1 1760252253 OLQIQNSWXLKMDP-UHFFFAOYSA-N 429.613 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1760269827 PVZFWQKRJHOUTD-CTNGQTDRSA-N 442.608 1.868 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760366654 GCFBTSIAYLKMIF-JKSUJKDBSA-N 447.005 1.189 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760427789 INUHZBOEEFFFQQ-QRVBRYPASA-N 437.610 1.693 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760515538 XCECTZIVWKKVTQ-OAHLLOKOSA-N 427.509 1.479 30 10 IDEE CC(=O)N1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1760622403 IXEHTZLYKXOPHK-HXUWFJFHSA-N 429.569 1.466 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1766311405 HFYGFWOOGXSIRO-KNQAVFIVSA-N 428.512 1.871 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)CCOC1 1768215971 DVXPVWJHBHSZCG-QFIPXVFZSA-N 426.521 1.973 30 10 IDEE COc1cccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1768773481 BHOPJISFLNLSBT-YGCDDZCOSA-N 438.488 1.705 30 10 IDEE COc1ccccc1OCc1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCCS1(=O)=O 1770495416 GHIOJEDXNRSLPT-INIZCTEOSA-N 448.549 1.640 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCCCO2 1771223442 WOIZGLXJKDWCOC-FUHWJXTLSA-N 443.504 1.940 30 10 IDEE COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1771237622 NIGAGJPZXAITHF-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCC(Cn3ccc(=O)n(C)c3=O)CC2)n1 1853287212 JNQYCMOGWDHFRL-UHFFFAOYSA-N 435.406 1.693 30 10 IDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCOCC3)cc2)c1 1858661650 MDMBZYATLHUIIZ-UHFFFAOYSA-N 428.470 1.219 30 10 IDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619998 YSVJIMSSNWCVKK-UHFFFAOYSA-N 441.492 1.871 30 10 IDEE CC(C)OCCCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872649507 BNXFHBOOSGZROP-UHFFFAOYSA-N 447.517 1.983 30 10 IDEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873594746 AHHZDMPZEXBKIR-UHFFFAOYSA-N 434.548 1.630 30 10 IDEE CCOC(=O)Cc1ccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1873920217 DEBPRSCMCIKTDV-UHFFFAOYSA-N 428.514 1.976 30 10 IDEE COCCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874470994 RXDGHIBTHVMWBY-CNHKJKLMSA-N 444.311 1.403 30 10 IDEE Cc1ccc(N=c2ccc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)n[nH]2)nc1 1890281729 ANJOMDGPCYXVAF-UHFFFAOYSA-N 435.513 1.728 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1892347073 BUAYTXKAUKIQFM-KDURUIRLSA-N 447.557 1.489 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2067791788 MFPPCSZTXKUKNP-MRXNPFEDSA-N 434.342 1.735 30 10 IDEE CC(C)(C)OC(=O)NC1CN(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128731824 ZLMOPVMJYADHQI-UHFFFAOYSA-N 445.369 1.811 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2184059144 IVTTZJUPCSRYDS-SOUVJXGZSA-N 440.294 1.990 30 10 IDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2248401892 PHCUPUOQSMNQQF-HNNXBMFYSA-N 440.371 1.891 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404402 MGPGKIIHZLNRIH-WOPDTQHZSA-N 436.343 1.453 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]12CCN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255629507 WVQMQCBBGBLQBQ-NRFANRHFSA-N 432.330 1.934 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255656336 ZITSUUKERMMSCI-ZDUSSCGKSA-N 439.293 1.135 30 10 IDEE CON(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nn(C)c1C)C(=O)OC(C)(C)C 2255832932 ULPDCAXTYCOGFW-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255883073 ZZUZXHCDUGUZQH-KGLIPLIRSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2260827847 PSYXIQUUDYLFMT-OJCIFCBBSA-N 438.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO[C@H]2C1 2267137157 OVNOQFOWHOFKDW-QEJZJMRPSA-N 448.329 1.073 30 10 IDEE Cc1nn(C)c(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267144220 SRSJHFOWEBODPO-PEBXRYMYSA-N 446.357 1.767 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)n1 2267504733 WPJBXWUPAVQENU-UHFFFAOYSA-N 446.357 1.887 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267539088 YDJAVKXGQPDXJK-YPMHNXCESA-N 442.247 1.447 30 10 IDEE CC[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267550068 UPMGFDASYNKGKH-GOSISDBHSA-N 439.369 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267588007 FXAFOVOPJYVPLE-JOCHJYFZSA-N 447.341 1.483 30 10 IDEE Cc1cc(=O)[nH]c(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C#N 23673828 HCLHQGAOSGKYPJ-UHFFFAOYSA-N 426.498 1.720 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 57830872 UFFPKKBFDZHCMM-UHFFFAOYSA-N 443.426 1.862 30 10 IDEE C#CCN(CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)[C@@H]1CCS(=O)(=O)C1 111192277 WQVNZGYRLOWJBY-GCJKJVERSA-N 434.558 1.784 30 10 IDEE COCCNC(=O)c1c(NC(=O)C2=C/C(=C3\C=CC=CC3=O)NN2)sc2c1CCCC2 135676782 HQFYMCRJXNVARP-SQFISAMPSA-N 440.525 1.883 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)c2)c1 441301896 IXXUKWGWTVNNFI-UHFFFAOYSA-N 429.436 1.487 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 461350552 YSEQLIQZEWHNIR-MRXNPFEDSA-N 443.500 1.018 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1csc(N2CCCC2)n1 465283060 FSNZQMFAYDPWSU-HNNXBMFYSA-N 426.550 1.868 30 10 IDEE Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc(S(N)(=O)=O)c1C 469023604 NTMUBTVUWPEJAC-QGZVFWFLSA-N 444.538 1.976 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cccc2CC)c1=O 478754532 PCZRCPFUIJWVFY-UHFFFAOYSA-N 443.544 1.820 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)cc1C 503612246 POIPVYDOTNNRER-UHFFFAOYSA-N 432.546 1.289 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)NCc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506635330 MROXKLXVDVCQKB-NRFANRHFSA-N 449.559 1.030 30 10 IDEE Cc1cc(S(=O)(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)ccc1C#N 509599837 CMGPRISWVNRORN-AWEZNQCLSA-N 425.557 1.917 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 514523694 BNRNCUQFYDQGIA-UHFFFAOYSA-N 440.521 1.994 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2C1=O 515429111 HMOXXMYLTCSOAG-UHFFFAOYSA-N 446.507 1.786 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C)cc3)c2=O)c1 537394327 LVUWSRSFHUWREK-UHFFFAOYSA-N 446.532 1.701 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 540687453 JBHRGXQAKSGKHJ-UHFFFAOYSA-N 443.525 1.855 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1 543725671 MXIGUJXPFKZTCD-UHFFFAOYSA-N 441.481 1.673 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 549327030 KQKDSBKOLNAAQU-QZTJIDSGSA-N 425.599 1.693 30 10 IDEE N#Cc1cccc(C(=O)N(C(=O)CCN2C(=O)c3ccccc3C2=O)C2CCNCC2)c1 585830875 ICSXGQHLNDONHL-UHFFFAOYSA-N 430.464 1.965 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1CC(N)=O 589157442 ZCOOOFUIXNYBLG-UHFFFAOYSA-N 436.320 1.574 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 609040779 YXDJMFARBNASMP-UHFFFAOYSA-N 441.557 1.664 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCO2 609764896 CFJJEINSKJKSJW-UHFFFAOYSA-N 433.489 1.657 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)CC1 609844167 UXKIGZICUGPGGJ-UHFFFAOYSA-N 429.521 1.525 30 10 IDEE COc1ccc(CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1C#N 610955371 ZCNVRXSTQTVONV-HXUWFJFHSA-N 429.429 1.831 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn3ccccc23)c1=O 729671090 DDKZHRSRDXOBFF-UHFFFAOYSA-N 444.520 1.750 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730144274 ZCPPZNORVJVMAK-SJLPKXTDSA-N 447.605 1.827 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(OC(F)F)c1 734146964 SDYZEAGGRPBLGG-HNNXBMFYSA-N 433.436 1.725 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(C#N)cn1C 751733980 LLLJAELAUJAFKI-GFCCVEGCSA-N 434.474 1.340 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)c1 751925724 TVBHTCDDTCJUTN-OAHLLOKOSA-N 441.504 1.910 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)s1 752194233 MGSDPQMKMYRGOZ-UHFFFAOYSA-N 436.562 1.759 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 753134448 FCTSMKKFSYDOMU-QZTJIDSGSA-N 427.505 1.968 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccco3)C2=O)cc1 753737089 DKALAFWYQJDZFR-SLFFLAALSA-N 438.484 1.786 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 758075540 KKRIBHGACGJVPY-UHFFFAOYSA-N 438.505 1.441 30 10 IDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 761158912 KJOYLTHAICFUMU-FNAHDJPLSA-N 438.576 1.190 30 10 IDEE C#CCN(C(=O)Nc1ccc(OC)cc1I)[C@H]1CCS(=O)(=O)C1 765413693 QHDHQIPWLAVGMO-NSHDSACASA-N 448.282 1.954 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1Cc1ccon1 772922462 SYVUUBXWPKOCCC-UHFFFAOYSA-N 445.504 1.524 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCC(F)(F)F)C(=O)N1Cc1nnn(C)n1 782807103 UGEAXJYDRPKGEJ-GFCCVEGCSA-N 441.439 1.719 30 10 IDEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC2CS(=O)(=O)C2)C1=O)NC1CC1 786689128 RXGSVPCBVFWVCZ-MRXNPFEDSA-N 439.534 1.861 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1(S(C)(=O)=O)CCOCC1 796387930 IDUJESJFBKJZBV-OAHLLOKOSA-N 438.502 1.467 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)/C=C/c2ccccc2C#N)CC3)CC1 803415270 MGWKEQCNWLYAHB-IPLHWJFFSA-N 432.528 1.534 30 10 IDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812420178 UYDCQJOZRHVJEO-CRAIPNDOSA-N 445.501 1.517 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)Nc2ccccn2)n[nH]1 1084125613 HFLCVFLABDICSO-UHFFFAOYSA-N 429.510 1.572 30 10 IDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)Nc1ccc2c(c1)OCO2 1084392006 DPIUHUVSEDPSIR-UHFFFAOYSA-N 441.473 1.993 30 10 IDEE C#CC[C@]1(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CCCN1C(=O)OC(C)(C)C 1126465080 UWYFJZQGECFWEP-KSFYIVLOSA-N 429.521 1.825 30 10 IDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OC 1132422418 SOWXXMPUSBWYLU-IFXJQAMLSA-N 425.844 1.870 30 10 IDEE Cn1ncc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1I 1134046514 RFKYHXFDRYHVER-NSHDSACASA-N 435.225 1.888 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)CSCc1ccc(C#N)cc1 1147631936 FYTDXPUXQBGBET-OAQYLSRUSA-N 435.546 1.906 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)CC2)o1 1176977667 MQMGLROIMGJATJ-HZPDHXFCSA-N 444.536 1.300 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 1194096294 FJMODJAUWASYGP-UHFFFAOYSA-N 445.872 1.133 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C[C@@H](O)CC4(C#N)CC4)CC[C@H]32)CC1 1195147367 KUDNNFAGGUHMPK-IPMKNSEASA-N 447.580 1.909 30 10 IDEE C=CCN(CC(=O)OCC)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1208651128 ONLUIXKBOCYCBY-GOSISDBHSA-N 440.518 1.405 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1264540163 ZQXQUMHGBVDMIT-RDJZCZTQSA-N 440.518 1.497 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286386962 KUFHZDFKUKBDJW-GOSISDBHSA-N 430.578 1.396 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1286523388 URGWHSTWYZWBAV-WOIUINJBSA-N 449.621 1.673 30 10 IDEE C=CCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286777602 IHJHIBCLFUGXED-PXNSSMCTSA-N 441.598 1.613 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1286791583 WUWDNYPMXAOTGB-UHFFFAOYSA-N 446.458 1.528 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286809911 MKHCNVKDHGCFNL-FGTMMUONSA-N 439.582 1.725 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 1293291945 YCIODCJAOVQBPY-BRONKWGGSA-N 431.514 1.969 30 10 IDEE CCC[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293897647 YHWKLVLXISZXLS-DXQAYGFFSA-N 429.525 1.665 30 10 IDEE CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1297058925 RVQBCEYGHGSGQJ-MRCUWXFGSA-N 435.488 1.849 30 10 IDEE N#C[C@@H](CO)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1297879471 APGLLKAVIDBVMU-FIJZOYEMSA-N 426.317 1.651 30 10 IDEE C[C@@H](CC(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 1299186353 NCJOIAUFSNHUPE-LSKLOWJMSA-N 449.554 1.955 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300481921 CQPFMFCKEHXEQW-CQSZACIVSA-N 432.531 1.681 30 10 IDEE C#CCN(c1nnc(C)n1CCCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1300485653 XWXQOIZGLZJDGU-SFHVURJKSA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300506137 NIPWZCLSSZOMLH-KSZLIROESA-N 436.578 1.819 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1300531814 HPGAAUOZXAHFQX-MRXNPFEDSA-N 431.500 1.972 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300673749 YCUBFRKSNXWFPC-KRWDZBQOSA-N 437.591 1.298 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1300680945 HAPGSMPYZDBFRA-UHFFFAOYSA-N 449.559 1.525 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NC(C)C)CC1 1300698626 WONBEKQOZOZHOE-UHFFFAOYSA-N 448.531 1.264 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1300805350 ADTOGLJAQUZHLH-MGPUTAFESA-N 431.566 1.567 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 1301219699 OWEFXBABHICTLG-IAGOWNOFSA-N 434.558 1.962 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301229293 MTMSGJQPTNUBHA-LJQANCHMSA-N 427.553 1.934 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(COC)CCC1 1301295858 BAWUVLUKWDGXOD-INIZCTEOSA-N 427.571 1.440 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1c(O)nc2ccccc21 1301423961 FWQZIIMDJWZQRJ-MRXNPFEDSA-N 425.493 1.624 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](COc2ccccc2)C1 1301509891 PDRSVJPVBDGACI-SFHVURJKSA-N 438.532 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnc(C)s1 1301568119 OMALVKOTFKILOT-UHFFFAOYSA-N 438.579 1.516 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301575976 OAHDHURFOCJKDR-ZWKOTPCHSA-N 440.529 1.132 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301596734 XJKGDWQYTFDVFN-BFHYXJOUSA-N 438.472 1.886 30 10 IDEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1301604417 SHTXRPDZXCCAHQ-UHFFFAOYSA-N 437.591 1.955 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1301935048 CKBFTUIOAVCCQP-GOSISDBHSA-N 439.520 1.347 30 10 IDEE CC(C)C(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302443271 LNAQISNHLVPFIJ-FQEVSTJZSA-N 436.564 1.603 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)NCC1CC1 1303419721 QBBJVQKQKONXTF-MOPGFXCFSA-N 435.532 1.686 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncccc2N(C)C)CCOC1 1303504159 FXBQVPRANKHVNI-VGOFRKELSA-N 441.536 1.557 30 10 IDEE C#CCC1(O)CCN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CC1 1311614363 KWLKOUDGPOPSCU-UHFFFAOYSA-N 428.533 1.407 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1314490989 WITGODXYOOWKRY-UHFFFAOYSA-N 448.549 1.237 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1315087527 FLHKZNHMBTZAKF-IBGZPJMESA-N 432.484 1.872 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1C[C@@H]1CCCO1 1317906190 DBSDVGVAOQCCHO-HNNXBMFYSA-N 446.598 1.698 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CC2=O)cc1 1321272318 ABNVKGUBPOBRRJ-OALUTQOASA-N 432.480 1.707 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1358890769 VOKHUZOIEONHKP-YJBOKZPZSA-N 429.546 1.870 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1358962471 QIXHJEVPGVVLFP-ZWKOTPCHSA-N 429.546 1.551 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCOCC2)CC1 1359047082 QBHDEZKLRPJTJC-UHFFFAOYSA-N 429.565 1.518 30 10 IDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359117099 DOYCQJZVISNIOK-QGZVFWFLSA-N 443.939 1.994 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1359122103 XUXJMEFDLBABRW-MRXNPFEDSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CCC)C1 1359295771 NGGXAHMOQDIWFE-SFHVURJKSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359297635 WPSJOQKSAIPBMR-OPAMFIHVSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(C)C)C1 1359298655 IDBQVLIUOQMISJ-INIZCTEOSA-N 435.532 1.977 30 10 IDEE C[C@H](CC(=O)N1CCC[C@H](N2CCCC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1451413666 AVXFFKLTZOOSIA-CVEARBPZSA-N 432.546 1.507 30 10 IDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1sc2ccc(C#N)cc2c1C 1453744503 RWCRDZXOTWWFLP-JSGCOSHPSA-N 426.454 1.389 30 10 IDEE C#CCN1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CC1 1455946014 OIJOUQXINWEVAL-HXUWFJFHSA-N 447.333 1.430 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 1470156352 SAPYNQHUMQUEDY-INIZCTEOSA-N 448.932 1.400 30 10 IDEE N#C[C@]12CN(C(=O)NCc3cccc(COCC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1478273086 OGDSATPWQISZGA-DOTOQJQBSA-N 431.436 1.845 30 10 IDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CC[C@@H](C(F)F)N2CCOCC2)cn1 1503648600 DIYZBDYHRYWREW-KRWDZBQOSA-N 434.495 1.775 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC[C@H]1C 1504520994 SSVOOLWEFVPVEB-RHSMWYFYSA-N 448.474 1.971 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507755513 FPGSWPRNZZPBDZ-UHFFFAOYSA-N 434.591 1.102 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1507984465 XKMHKGQJVHVZIO-QFBILLFUSA-N 429.587 1.420 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](N3CCCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1508097606 JDIJGIQRDHKAEC-IEBWSBKVSA-N 445.612 1.257 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC)C1 1508106079 UNSKYLLNNWKAPT-MSOLQXFVSA-N 427.505 1.694 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)CC1 1508107346 ZOOUAWZXZLYTFX-UHFFFAOYSA-N 442.520 1.918 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)N2CCSCC2)C1 1508110284 SIONIBMXRKPIQG-SJORKVTESA-N 443.639 1.952 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)N(C)C 1510017491 DOVBSQCVQBRJPQ-HNNXBMFYSA-N 436.520 1.287 30 10 IDEE CC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1512646497 HRCPSDGPUIHWPX-LAVAIGHBSA-N 446.577 1.793 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1514151561 OLIXBROSGAKGLR-YGCDDZCOSA-N 437.504 1.790 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CCO1 1518942204 MAGNVOYPYOMJAP-WOJBJXKFSA-N 425.489 1.925 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1519343175 CKVZQZSZFMBQKE-UWJYYQICSA-N 446.552 1.571 30 10 IDEE C#C[C@H](NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 1535484035 VLYPFFHNTSXURJ-CZIKEKGBSA-N 431.286 1.792 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1537842015 GPQFRSQMRRGCSX-INIZCTEOSA-N 434.541 1.761 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1539012069 DZZCPNKXHWYZKE-JKSUJKDBSA-N 425.518 1.267 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1539155182 PPBXHSGGKYRCQJ-UHFFFAOYSA-N 449.533 1.076 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1539420475 FDBSPIJEOYBXEV-DENIHFKCSA-N 428.537 1.564 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(OC(F)F)c2)CC1 1539444848 WCCCXTKBSQNCAY-UHFFFAOYSA-N 428.447 1.479 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC(F)(F)C2)CC1 1539477190 JVGOTCHNSRKZHV-ZBFHGGJFSA-N 434.491 1.630 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4n(c3C#N)CCOC4)C2)cc1 1539553558 NURJKTVAHPWFOA-OAHLLOKOSA-N 429.502 1.633 30 10 IDEE C=CCCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539981338 FOIKJKLUJBRBTI-OWCLPIDISA-N 425.555 1.679 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1540170750 PXLRUMNBWXARIB-IKGGRYGDSA-N 427.546 1.928 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1540297495 XDHOHNHEIXKUGP-ZBFHGGJFSA-N 425.463 1.027 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1540859772 GUDRJDBNPUATFG-UHFFFAOYSA-N 426.525 1.492 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1540859781 HMGOHHAITWJDEV-OALUTQOASA-N 443.596 1.403 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(F)ccc(F)c2C1 1540874083 USJXJZREDLBETN-UHFFFAOYSA-N 430.459 1.544 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1540877518 XXMJUALPRAQGGN-RBUKOAKNSA-N 433.553 1.986 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1545740575 AFMVXJJBWNFLIO-QMMLZNLJSA-N 447.536 1.812 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1547549083 HLTDVMYUFMDIPU-NQIIRXRSSA-N 445.545 1.372 30 10 IDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cn1nc(C)cc1C 1548369170 HEQBCKFGYOWJFA-GOSISDBHSA-N 448.449 1.854 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C[C@H]1O 1554545739 LUTSUHDDVYMROA-IEBWSBKVSA-N 435.488 1.267 30 10 IDEE NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1559038960 FDYXTZFHWANCEH-GOSISDBHSA-N 429.473 1.411 30 10 IDEE CO[C@@H](CC(C)C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1561107995 BEUAQCAXDSHKID-KRWDZBQOSA-N 429.564 1.255 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2Cc3ccc(C#N)cc3C2)C1 1584870625 LMUZWSKMHDQWSP-DYESRHJHSA-N 431.514 1.682 30 10 IDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(N2CCNC2=O)cc1 1585747769 ZDKTVWJRFWSETI-HNNXBMFYSA-N 441.513 1.899 30 10 IDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1587501290 SUZXEAIXSRBPCS-IEBWSBKVSA-N 444.582 1.997 30 10 IDEE Cn1nc2c(c1C(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)CS(=O)(=O)CC2 1587610706 BCSGQRSBCUJVGW-UHFFFAOYSA-N 427.530 1.111 30 10 IDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)CC1 1587711569 AIOLEKNZUWDLHE-UHFFFAOYSA-N 443.577 1.676 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588053246 BOFLNPPIQQGTNT-JKSUJKDBSA-N 435.575 1.498 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1588174670 ZWAXQTMAPNKPBO-DEOSSOPVSA-N 434.544 1.677 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1588205651 QKBFJWNKYNIEPK-FQEVSTJZSA-N 430.512 1.775 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)F 1588214587 XDJSFGFJXNDHGP-UHFFFAOYSA-N 437.454 1.975 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C(C)=O)CC1 1588310045 NATJFUNRHXPJNZ-UHFFFAOYSA-N 446.559 1.754 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Cc2cccs2)CC1 1588813200 WGEISWTWSLWMTL-MSOLQXFVSA-N 447.630 1.876 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(N)=O)c1 1589150454 GBZVLMWYNNHPIT-QVKFZJNVSA-N 444.561 1.222 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1593741899 ZUXSSWPQQQLWLT-OALUTQOASA-N 446.596 1.554 30 10 IDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCCS1(=O)=O)C1CC1 1595026702 QKBIQGQIJUVJRJ-FQEVSTJZSA-N 439.582 1.509 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOCC)CC1 1595517090 OZMRLZATAJSVDF-UHFFFAOYSA-N 442.520 1.135 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1595569196 BTMOVJFLWFFUNU-UHFFFAOYSA-N 431.562 1.379 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597161861 SOQFMTPCOYORRC-IKQYZECCSA-N 444.536 1.486 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCCC3)C2)n1Cc1ccc(C#N)o1 1611688895 HJNUGWQCUSTEJK-HOTGVXAUSA-N 447.565 1.466 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)N(C)C 1613262200 WXDGBHGUMSLPIY-ZDUSSCGKSA-N 433.538 1.218 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613947060 QEPRRWYSABLTBQ-WYVXLJGUSA-N 428.415 1.523 30 10 IDEE CN(C)CCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617703380 WJVHQMUNVPMVNV-FQEVSTJZSA-N 441.555 1.763 30 10 IDEE CO[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1619055905 IBCOOIPVWCGWOZ-RXVVDRJESA-N 445.545 1.494 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1Cc1ncn(C)n1 1619900169 UWAJIWRMAMZGHF-IBGZPJMESA-N 436.520 1.874 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC2(O)CCCC2)cc1 1620351675 GLNBUCIGBSFLGQ-UHFFFAOYSA-N 431.518 1.269 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccccc2Br)cc1 1626425636 PVWQSAZDFXAKOA-QGZVFWFLSA-N 437.315 1.824 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)C[C@@H](C)O1 1629865577 YKGJMISTGOMTMF-HUUCEWRRSA-N 431.518 1.151 30 10 IDEE Cn1cc([C@H](O)CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1631221191 SLYRQZAAXRMYOL-MOPGFXCFSA-N 425.489 1.976 30 10 IDEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1632172293 GOGYVQHZVQCURZ-IAGOWNOFSA-N 436.553 1.754 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 1632966708 WCXCWEORBPGBAR-AEFFLSMTSA-N 440.363 1.339 30 10 IDEE Cn1nccc1C1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1633641961 KPTPDKCLUZJUFH-OAHLLOKOSA-N 427.892 1.808 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1635753422 WJYMFCCYYKIJSE-KRWDZBQOSA-N 435.546 1.590 30 10 IDEE Cn1c(C#N)ccc1C(=O)NC[C@@H](O)COc1ccc(I)cc1 1635847527 RMKDTFBDZKXELP-CYBMUJFWSA-N 425.226 1.671 30 10 IDEE N#C[C@]12CN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)C[C@H]1CS(=O)(=O)C2 1636512512 JPJSHYQQSLZPMK-APPDUMDISA-N 436.540 1.396 30 10 IDEE Cc1ccc(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1636996533 BECVIQDCQBYEAI-IBGZPJMESA-N 428.338 1.804 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)C[C@@H]12 1641615245 ZVAMICIRZAGVFD-SXLOBPIMSA-N 442.541 1.965 30 10 IDEE C#C[C@H]1COCCN1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 1643379699 PHESXCCHYDUJBN-HNNXBMFYSA-N 425.938 1.787 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)cc1 1643384614 XXNAXUQXFCTQNY-OAQYLSRUSA-N 436.530 1.419 30 10 IDEE Cn1ccnc1[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(C)(C)CO 1643598513 DFWHKELQNNVRDW-FPOVZHCZSA-N 442.539 1.617 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC)C(=O)OC 1663037952 RSOURCWWNOECLK-LBPRGKRZSA-N 425.381 1.515 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 1679266560 FOWKHCZTBVQSGV-IBGZPJMESA-N 449.577 1.315 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1690020034 XLWAXDWWZDCMNU-KRWDZBQOSA-N 439.607 1.073 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1690236340 LLDWKILPRATUPP-ICSRJNTNSA-N 444.580 1.800 30 10 IDEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O)C1CC1 1690541085 MLNRPRSXVXKSPJ-UHFFFAOYSA-N 433.534 1.810 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(C)=O)CC1 1690663444 WUZBGPBFGPYGNP-UHFFFAOYSA-N 427.465 1.260 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1 1690717294 AVUOQTRXRUHFPD-UHFFFAOYSA-N 439.519 1.023 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1694457736 WUFXWJLVSVXEAS-AQMPTVPWSA-N 437.504 1.872 30 10 IDEE CCc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1694635811 NRHMDGSMOJDDGA-YAXHWRKQSA-N 442.545 1.741 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1696950031 BYPBVLBPZAAWJI-HXUWFJFHSA-N 449.559 1.953 30 10 IDEE O=C1CC[C@@H](c2nnc(N3CCCCCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)N1 1698523956 YFFSCZQNZJYTNM-ZJYNUGOYSA-N 427.509 1.526 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCO[C@H]2C)CC1 1705647418 DNOWPVDXUPFMPH-SGXKBVARSA-N 431.537 1.025 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCOCCOC)CC1 1705649374 VJOSOGGEWIMIOC-UHFFFAOYSA-N 429.496 1.713 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705694470 RGIGJYKUCJOGNS-IKGGRYGDSA-N 439.582 1.411 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1705694881 UFXJRMIABXIXIJ-XLIONFOSSA-N 444.580 1.989 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCCCO 1705700783 YNNZTRGBLODVAG-KSZLIROESA-N 426.583 1.760 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1)C1CC1 1705854957 RWGQVBGJRMUMTD-HNNXBMFYSA-N 438.579 1.465 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705898912 BUXTZAIKAIDTDH-GOSISDBHSA-N 439.564 1.284 30 10 IDEE C[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1707999163 GNRKSBAXLDZZJQ-ZTFGCOKTSA-N 430.534 1.700 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(F)cn1 1711049408 GDZHBFIRLKTXPN-UHFFFAOYSA-N 435.463 1.694 30 10 IDEE COCCN(C)CCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712423925 RKJRDSWVCCDCOX-UHFFFAOYSA-N 436.520 1.397 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1n[nH]c(C)n1 1722284910 QNEXZVDNTGUNRS-ZDUSSCGKSA-N 426.912 1.989 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCn2cncn2)c1 1722309741 PBUDBIJBNDNKBY-LJQANCHMSA-N 434.504 1.868 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722365744 NUXRRBWUTAZNNK-UGKGYDQZSA-N 443.573 1.706 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1722508990 LINIWZMHEGVRQN-FXAWDEMLSA-N 446.577 1.327 30 10 IDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722597451 MVYLLBFWZWVTLU-KRWDZBQOSA-N 444.561 1.919 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1722676465 AWTKDFNPEDWLFS-QGZVFWFLSA-N 442.520 1.339 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C1CCC1 1722727723 KUHYUKIWRUFPSR-IRXDYDNUSA-N 442.607 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C)C(=O)C1 1722730310 OJSMNAUHVUBAGI-UHFFFAOYSA-N 447.561 1.353 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCCC2)CCOC1 1723693177 RONBYHHWMYKGTL-KNQAVFIVSA-N 432.569 1.923 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1723946432 XTBDZAAPMULIRD-PNHOKKKMSA-N 449.581 1.029 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1740628419 XKOIKVUEMYXJAE-HOTGVXAUSA-N 435.575 1.498 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(F)c2)CC1 1740695724 BQQGINJBHVISCV-QGZVFWFLSA-N 447.536 1.131 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1740762676 VMHTWBPBDRAIAK-BZSNNMDCSA-N 441.598 1.827 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1740898983 CGRHKKDMVJVTBE-UKRRQHHQSA-N 440.595 1.802 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1740960161 MCYQCFXQXTWQGN-QGZVFWFLSA-N 426.521 1.776 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)C1 1740979612 AVVQZVPPPGAICQ-KRWDZBQOSA-N 439.969 1.853 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCOC1 1740993323 XNZDVLJSIYHAOD-HNNXBMFYSA-N 425.580 1.707 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C1CC1 1741861928 BPPDTWWBHXOEPP-INIZCTEOSA-N 444.561 1.446 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)n1 1742712846 IMHPYXUOXQQEAU-QGZVFWFLSA-N 435.554 1.083 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1743385126 GKEVCQQNAALWQR-FPTDNZKUSA-N 426.521 1.942 30 10 IDEE CN(c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1747659889 DUWZVBAEXMDSQR-ZPHPHTNESA-N 441.517 1.395 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1748103919 ASJCOFGMFRVYPX-HNNXBMFYSA-N 444.561 1.460 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1748756842 XVLWHEVCFVNUEQ-SIKLNZKXSA-N 435.576 1.666 30 10 IDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748773146 SNYVEYRCIMXJCB-OKZBNKHCSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748821683 SPERZRBMGSWVAQ-OALUTQOASA-N 446.577 1.191 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1748984404 QYJITQYYUVPQQC-FQEVSTJZSA-N 425.581 1.396 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1749049944 TUYLTZFWKJATJY-PMACEKPBSA-N 435.550 1.328 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1 1749470696 BAHNQFLOOUCYJV-QGZVFWFLSA-N 435.550 1.623 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCO1 1749575763 CLPOUOQTMZLEFF-UGKGYDQZSA-N 443.504 1.386 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccsc2)CC1 1749650433 WZPQWUBVNBPWMP-UHFFFAOYSA-N 431.566 1.102 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749655437 KYIXOYLXPQKASK-QAPCUYQASA-N 447.561 1.512 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)C1 1749655636 NRYUYXCRRGGAKS-CQSZACIVSA-N 435.575 1.593 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1750082935 YVBATRSOHKHQKB-GOSISDBHSA-N 426.521 1.831 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1750340525 NASRHINCBMSRLR-DNVCBOLYSA-N 444.561 1.760 30 10 IDEE Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1751908200 OZCBPUJUNKHWIX-KCQYIYACSA-N 426.452 1.350 30 10 IDEE C[C@H]1C[C@@H](C)CN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1752010696 PXKGXGNBMAHXDC-ZCNNSNEGSA-N 443.596 1.887 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760188277 OHEVPIFAHYZVAH-CEXWTWQISA-N 437.610 1.877 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)CCOC1 1761291658 MRDSSJXMPLTUFR-SIKLNZKXSA-N 449.552 1.633 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCOCC(F)F 1763045031 ZUFQWWVMGNMEDQ-CQSZACIVSA-N 443.462 1.932 30 10 IDEE CCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1765469419 XBPHJXXVYVTMKS-GCJKJVERSA-N 442.568 1.921 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CC=CCC1 1766408437 BKZTWMCYXOAOEI-GOSISDBHSA-N 437.552 1.453 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1 1768286037 OBCBEAALEBKNKT-UHFFFAOYSA-N 440.533 1.573 30 10 IDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc(OC)c1OC 1768303782 AFVFNHOJQKKELJ-SZNDQCEHSA-N 444.467 1.745 30 10 IDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1768879146 BUUCPBDXCJZWBN-UHFFFAOYSA-N 426.521 1.664 30 10 IDEE C=CCOC(=O)[C@H](NC(=O)CN1CCCC1=O)c1ccccc1I 1850983232 QUWCTWANGALGOE-MRXNPFEDSA-N 442.253 1.800 30 10 IDEE CN(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1snc(N2CCOCC2)c1C#N 1851556976 JGNYHVNWNZOPSB-UHFFFAOYSA-N 431.440 1.615 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCN(C(=O)[C@H]3COc4ccccc4O3)CC1)OCO2 1852123689 KXNQCVDETPKEJQ-OAQYLSRUSA-N 435.436 1.340 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CNC(=O)c2ccccc2Cl)CC1 1852361456 DPLBYSISDFFOES-UHFFFAOYSA-N 427.892 1.702 30 10 IDEE C=CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCN(C)C1=O 1852960561 YZETUPZBBFAGMH-ZWKOTPCHSA-N 425.526 1.764 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CCC[C@@H](N2CCN(S(=O)(=O)N3CCCC3)CC2)C1=O 1854970052 KISLSTGACWYUDB-QZTJIDSGSA-N 426.583 1.065 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCCNS(C)(=O)=O 1861878937 QNRLNDHARSBNKE-GOSISDBHSA-N 425.526 1.383 30 10 IDEE CC1CCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 1869940613 UHIUOPGFHZUOMY-QGZVFWFLSA-N 428.518 1.998 30 10 IDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 1870142745 KRIZIRHDEPWEER-LBPRGKRZSA-N 443.423 1.721 30 10 IDEE CN(C)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCCO 1870324218 ADHXUKXAPITRIA-UHFFFAOYSA-N 430.530 1.732 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCN1CCOCC1)n2CCOC 1873589642 OQIYOKNMUKHIFB-UHFFFAOYSA-N 442.564 1.708 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnn([C@H]4CCOC4)c3)CC2)CC1 1889353063 PHUUPFVLSUFBFQ-NRFANRHFSA-N 429.565 1.107 30 10 IDEE CC1(C)OB(c2nc(=NS(=O)(=O)CCCOCc3ccccc3)s[nH]2)OC1(C)C 1979353824 NEAADTNWWLBTIZ-UHFFFAOYSA-N 439.368 1.608 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073746529 JUNNHGMXUMCKFN-HKZYLEAXSA-N 437.346 1.840 30 10 IDEE CN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)[C@](C)(C#N)Cn1cc(Br)cn1 2075137072 VBNFOMDRHVBNCQ-AUUYWEPGSA-N 446.305 1.517 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254749475 XAFFIHLEORZOEO-LBPRGKRZSA-N 437.277 1.939 30 10 IDEE C[C@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255639027 QHROCHXVVHMKKB-CMPLNLGQSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2255696534 VKGMDBZEDBEBMM-FVQHAEBGSA-N 429.326 1.976 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255809236 UQKIIHMWCRHOID-AWEZNQCLSA-N 435.330 1.338 30 10 IDEE C[C@@H](CCN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255844605 ZGFDDFMKAPDTND-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255853872 VNUNNJZBDGFTKG-OAHLLOKOSA-N 435.330 1.680 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267005229 LMKOIRJVHGZOKU-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE Cc1cnc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1 2267117077 WWVNELIWQSCGJV-HOTGVXAUSA-N 447.341 1.399 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129287 ZGEPMNWNFVAPKV-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267179658 SUEMRLYDNODHQF-SOUVJXGZSA-N 446.357 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)n1 2267189301 YQTCUFCRRGZJKG-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267276999 JYTSIMBYODDEBO-WBQNTZJQSA-N 448.325 1.989 30 10 IDEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267596790 MASKAJSXSUXXRP-CYBMUJFWSA-N 449.361 1.490 30 10 IDEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@H](CC(N)=O)C(=O)O)ccc3C2=O)c1 2297472039 LPPVWOWMDWYMQC-MRXNPFEDSA-N 440.408 1.135 30 10 IDEE COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCC(=O)NCC(=O)O)ccc2C1=O 2297474349 NMRDGHFDIAJCEA-UHFFFAOYSA-N 443.408 1.908 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319678000 UATFVINTZGATAL-SPLOXXLWSA-N 437.346 1.807 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2320449891 OEERLTXRMXFAIA-KRWDZBQOSA-N 427.310 1.473 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2320978816 MSFJLTGJIXETTI-XOBRGWDASA-N 440.346 1.319 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2351719958 XURQUSTZYOSABC-OAGGEKHMSA-N 449.357 1.663 30 10 IDEE COCCNC(=S)/N=C(\NCCSCc1nc[nH]c1C)Nc1nc(C)cc(C)n1 14159255 HUJMMIOVFRSSLZ-UHFFFAOYSA-N 436.611 1.937 30 10 IDEE Cc1cc(C(=O)CN2CCN(c3ncccc3C#N)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1 96993240 ITPXSVQTUXIAIX-IBGZPJMESA-N 441.557 1.736 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 254614972 JYZYYGUCDGBFJQ-WFASDCNBSA-N 440.499 1.314 30 10 IDEE CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 409486420 RMNCUZRMQOVWJB-MRXNPFEDSA-N 428.580 1.428 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C3CCC3)c2=O)c1 430983231 BWGAIXWHPNOMGC-UHFFFAOYSA-N 438.553 1.909 30 10 IDEE COc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)N1CCCC1 443334795 NGIVYZBABRJDSP-UHFFFAOYSA-N 448.545 1.864 30 10 IDEE N#Cc1ccc(CS(=O)(=O)c2nnc(N3CCOCC3)n2CC(F)(F)F)cc1F 447488431 GCJXLLHWSAZTBJ-UHFFFAOYSA-N 433.387 1.662 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 464861605 UVRMNPYSFBZMEP-QGZVFWFLSA-N 444.543 1.978 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)Cn3cc(Br)c(O)nc3=O)CC2)cc1 505154052 BVEABLROLIYQON-UHFFFAOYSA-N 433.262 1.653 30 10 IDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508504903 AUWDVNRARFBWCA-HXUWFJFHSA-N 438.532 1.121 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 508938721 MHZXEXZPTWFVJL-SFHVURJKSA-N 446.939 1.966 30 10 IDEE CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1OC 509944483 LSDOHINRYNQDMD-UHFFFAOYSA-N 449.920 1.486 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@@H]1CCCO1 514475354 XBAVATGPZTZRLU-SFHVURJKSA-N 446.532 1.442 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(F)cc2)CC1 518475476 FIVWOLWTMADNLP-UHFFFAOYSA-N 437.518 1.478 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)s1 522109567 BRJSWJKSGTWRQN-UHFFFAOYSA-N 443.594 1.484 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(CS(N)(=O)=O)c2)cc1 522584072 JFKLOLODJDGIAG-QGZVFWFLSA-N 430.511 1.501 30 10 IDEE CCC1(CC)NC(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 523673575 RYUAFCRSQULXRO-HNNXBMFYSA-N 429.502 1.509 30 10 IDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 542800108 OKCXYKBOVKALQF-LJQANCHMSA-N 427.482 1.748 30 10 IDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 546903160 AYQPTYNXQKISQP-UHFFFAOYSA-N 438.513 1.196 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 564379660 PGCJKGCRCWHIGQ-IBGZPJMESA-N 427.505 1.800 30 10 IDEE CCOC(=O)c1c(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)sc2c1CCCC2 586348880 HLFHGRMOFWSZJU-LJAQVGFWSA-N 439.559 1.863 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@H]1CCCO1 590914075 UNDGAKOHDBMKPF-FUHWJXTLSA-N 441.553 1.051 30 10 IDEE CC(C)C[C@H](C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 611250121 COVOHFKQRQXBJF-CQSZACIVSA-N 432.502 1.629 30 10 IDEE COc1cc(C(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC 619104141 PQIRFRRVKGTUJZ-UHFFFAOYSA-N 439.472 1.058 30 10 IDEE CCn1nc(C)cc1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 726018301 PJRITHNUUOVPRK-UHFFFAOYSA-N 438.444 1.837 30 10 IDEE Cn1cc(N2CC[C@@H](OC(=O)CSc3nc(O)cc(C(F)(F)F)c3C#N)C2=O)cn1 732317038 YXYIIBMGBXXXQO-GFCCVEGCSA-N 441.391 1.852 30 10 IDEE CN(C[C@@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1)C(=O)OC(C)(C)C 732464780 AELKTGASAYTQKP-DVEDPGPFSA-N 435.525 1.801 30 10 IDEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 733200456 FUKPZLDSWIVUKO-GUYCJALGSA-N 448.570 1.982 30 10 IDEE C[C@H](CC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742662681 LFLFUCULMOOGJM-CVEARBPZSA-N 432.546 1.365 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccccc3)c2=O)cn1 743727433 MEBZWQWPVPMAML-UHFFFAOYSA-N 448.548 1.673 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Cc3ccc(OC)cc3)CC2)c1=O 749887314 SGOBLDOOSDSTBN-UHFFFAOYSA-N 426.517 1.465 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCCCN1C(=O)c2ccccc2C1=O 754011704 FIFJJZIMMNIAPR-UHFFFAOYSA-N 429.429 1.969 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(C)(C)S(C)(=O)=O 765274192 GFMNQKPJZZAZSE-OAHLLOKOSA-N 443.591 1.421 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CCN1C1CC1 772492177 WGGAGHYWVQUPEF-SFTDATJTSA-N 447.543 1.467 30 10 IDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C#N)cc2C)s1 779233919 KBLBTQQSJDBGQD-UHFFFAOYSA-N 441.556 1.529 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCC2CS(=O)(=O)C2)C1=O 786686596 DTVHOQVZIRKQSN-AWEZNQCLSA-N 429.951 1.842 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COc2ccsc2)CC1 800306700 NJMZPZBUPOYAHK-UHFFFAOYSA-N 449.510 1.075 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@]2(CCCOC2)C1 804133676 XNRMGGHCXPZICP-OAQYLSRUSA-N 435.546 1.694 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)n1 806638226 GBDNALAEMZDLJM-UHFFFAOYSA-N 434.518 1.750 30 10 IDEE C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)c1ccc(Cl)cc1 810469684 DXMWZNFCEKHAPX-KRWDZBQOSA-N 426.860 1.245 30 10 IDEE CC(C)(C)N1CC[C@](F)(C(=O)NCC#CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 810990076 IQJJLPBITQIACP-FGZHOGPDSA-N 426.552 1.647 30 10 IDEE CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)ccn1 856636162 YCHUSRKHHRSNQU-KHOFPDMRSA-N 427.505 1.430 30 10 IDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 916775318 PVRRRKFAQZASSF-UHFFFAOYSA-N 432.502 1.395 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)NC2CCCCC2)C1 916893486 AFJFAUULYCQXNC-WBVHZDCISA-N 436.534 1.850 30 10 IDEE C#C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C1CCOCC1 1131257472 PTCCIGVDZQVVGO-NHCUHLMSSA-N 432.542 1.977 30 10 IDEE Cc1[nH]nc(Br)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1136149208 AXMAJHBYOGVSFS-UHFFFAOYSA-N 438.307 1.499 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)c1 1136546240 ALEDXCQDOHDUNI-CVEARBPZSA-N 443.447 1.958 30 10 IDEE C[C@@](O)(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)c(Br)c1 1136672179 DLJYFMAYDKVRPK-XUZQSEFNSA-N 426.242 1.438 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H](C#N)C1 1137215010 KMTWIKUMBMAPRF-CYBMUJFWSA-N 436.465 1.708 30 10 IDEE O=C(NCC(F)F)[C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1140951185 BRSRVGOTPOHYBL-AWEZNQCLSA-N 442.488 1.268 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 1141379968 BRUVFPHLUFOEGM-KGLIPLIRSA-N 425.283 1.229 30 10 IDEE Cn1cc(N2C[C@H](C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)CCC2=O)cn1 1141515318 XTOIHVOLDNAJGO-MRXNPFEDSA-N 446.515 1.552 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOC2(CCN(C)CC2)C1 1143016288 NBKCOHRGRMGGHA-SFHVURJKSA-N 448.589 1.463 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1147283437 JPVBPJCUJMKVLQ-GOSISDBHSA-N 439.965 1.041 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1153262805 QROQXWJJNYPLNV-QUCCMNQESA-N 434.558 1.311 30 10 IDEE O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N[C@H]1CCN(O)C1=O 1159325436 WDUZMMYPJWWHKO-GJZGRUSLSA-N 435.481 1.462 30 10 IDEE COCCN(CC#N)C(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1160823957 XGSRWHHXEZCYGW-UHFFFAOYSA-N 427.318 1.704 30 10 IDEE C[C@H]1C(=O)Nc2ccccc2CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1166313027 TYNYHFKCDSRPHZ-KGLIPLIRSA-N 426.498 1.873 30 10 IDEE COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)ccc1C#N 1179733684 KZQYLYZIEFGLNB-CVEARBPZSA-N 435.502 1.425 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)ccc1F 1180054870 TUNOKTUWSUBVJR-AWEZNQCLSA-N 436.465 1.772 30 10 IDEE C#CC[C@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccccc1 1211075601 NFAPWJIBLXEMMM-FQEVSTJZSA-N 426.494 1.983 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 1254285983 YITRMWLYDYEDQQ-UHFFFAOYSA-N 427.530 1.799 30 10 IDEE C#CCN(c1nnc(CC)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286393920 MAXFGZQAOGDBNZ-IBGZPJMESA-N 433.553 1.738 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1286426019 GWSXZFRXAWHIAO-UHFFFAOYSA-N 445.527 1.427 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286432425 JTCXXOKSHSWQDJ-BGYRXZFFSA-N 440.592 1.751 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)NC 1286456867 YIAKCKZOHHGOFJ-UHFFFAOYSA-N 429.481 1.063 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1286516229 YSOCSQPYCKLOGE-DHIUTWEWSA-N 431.581 1.769 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)CC1 1286546000 FADXGKLZUDDCDU-RDJZCZTQSA-N 439.582 1.413 30 10 IDEE C=C(C)COCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1286606095 GOOYYEGCMRENNH-QGZVFWFLSA-N 449.515 1.996 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCN(C)C2)C1 1286813538 XDRCUACIYNWOQI-HRAATJIYSA-N 446.577 1.118 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](CC)C1 1286816387 KJNZYGPOOGNQBW-INIZCTEOSA-N 442.549 1.758 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1288997300 SGRNTWRXERMVIW-IRXDYDNUSA-N 442.545 1.355 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1288997793 UMSQQRFYJSRQOI-GCJKJVERSA-N 440.504 1.236 30 10 IDEE Cc1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290804132 OQWFLKVGNVHZKQ-XDSRXIPYSA-N 426.452 1.350 30 10 IDEE Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290895945 RFUHQXCOPAMFDC-ZCXUNETKSA-N 448.549 1.051 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2I)[C@H](C#N)C1 1294436797 SYTVOKQQPFSFLK-SECBINFHSA-N 431.234 1.599 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCCOC)CCOC1 1296614715 NYZWKYGXARXWGV-QFIPXVFZSA-N 442.520 1.892 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1299049959 CRIIPIGUMIUHAH-KKSFZXQISA-N 425.468 1.273 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1299737546 XPZBESQSDGZXPJ-OAHLLOKOSA-N 437.451 1.238 30 10 IDEE COC1(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CCC1 1299790041 HOKFEENOBDFZKN-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 1300485615 XOCZTPJCCANHJP-ROUUACIJSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1300490086 ZDDKMMFPTACACN-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300501950 ONTCGZIWRAZEKW-RHSMWYFYSA-N 436.607 1.211 30 10 IDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300546959 APVOIARPNIJHJH-GBESFXJTSA-N 443.548 1.912 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1300653357 KSKAQKXCLZNJKA-DENIHFKCSA-N 448.564 1.948 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nnn(C)n1 1300654083 SSCWPYXQHYOYQT-CQSZACIVSA-N 430.900 1.729 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nc3c(s2)CCCC3)CC1 1300681410 ONVIHFVQANQCQH-UHFFFAOYSA-N 441.605 1.750 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C(=O)NC)CC1 1300689346 UOYIARLGDGPLKM-UHFFFAOYSA-N 425.493 1.381 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCOCC(F)(F)F 1300950408 CJQVJOYXLZIMTC-ZDUSSCGKSA-N 426.461 1.134 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 1301305500 ZUZFCMJRORHXQW-UHFFFAOYSA-N 431.610 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(OCC(N)=O)CC1 1301492061 WLMSOISOEDQEIR-UHFFFAOYSA-N 449.515 1.266 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](CCOC)C1 1301498061 IXTHQCVIXQBVSU-OAHLLOKOSA-N 437.504 1.759 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1301500861 QDMXTCWVTYPZEJ-MSOLQXFVSA-N 432.569 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(C)C1 1301588579 HTCGCOXIEBEXLA-MRXNPFEDSA-N 428.580 1.328 30 10 IDEE COCCN1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301911921 OFOLURMUBHNTGI-VXPUYCOJSA-N 445.568 1.162 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C)c1cc[nH]n1 1303121806 KHBZNXIDRFLMCV-AWEZNQCLSA-N 437.497 1.599 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](N(C)CC)C3)nnc12 1306908856 BPIWWQRNJKCLHB-HNNXBMFYSA-N 426.546 1.875 30 10 IDEE C#CCN(C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1)[C@@H]1CCS(=O)(=O)C1 1323406890 CEEGNFIJESNFDD-IJEWVQPXSA-N 426.564 1.407 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 1335693418 NXUWTVYUTAOJJJ-GKCIPKSASA-N 430.505 1.926 30 10 IDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nn1 1348741714 LMMOGHCHNZFTHA-UHFFFAOYSA-N 425.898 1.781 30 10 IDEE Cc1cc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)nn1CCC#N 1358036736 STAGKFAVUWTOFE-AUUYWEPGSA-N 437.522 1.325 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OCC)c(OCC)c3)CC2)nn1 1358434777 VPGQQRMVHJKJKJ-UHFFFAOYSA-N 449.533 1.408 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)CC 1359007209 AFQBMKMMXPCGFE-UHFFFAOYSA-N 428.518 1.999 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(OC)CCOC2)CC1 1359039487 LFVRYNSSHVUUDM-HSZRJFAPSA-N 441.532 1.426 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359089524 KNGRQLXJSQHHLT-SUWCGCSTSA-N 433.553 1.782 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1359299411 DNFVSEXULZIMJK-GOSISDBHSA-N 442.495 1.814 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@H](C)CC)C1 1359321672 KBLBREOPJTYCOK-IXDOHACOSA-N 439.582 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359333760 IQWRJRFQPSBKAL-LPHOPBHVSA-N 431.562 1.868 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1359432638 SMIPLDIXMMHCHU-MBSDFSHPSA-N 435.532 1.648 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CN2CCOCC2)c2ccccc2)s1 1440685429 TWPCHIOGFCQCPY-LJQANCHMSA-N 449.598 1.945 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1443017297 MTYCMHWPKUYOJA-FLIBITNWSA-N 431.489 1.665 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1443721453 CTTDIZPVMVFYSX-UHFFFAOYSA-N 441.594 1.909 30 10 IDEE Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1S(=O)(=O)NCC#N 1450421071 JDNUZFAQTVGNRS-QLPKVWCKSA-N 434.518 1.392 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C)SC[C@H]1C(=O)NCCC(=O)OC 1450973064 ZOFGARYWWOEDOU-KKUMJFAQSA-N 441.550 1.262 30 10 IDEE C#Cc1cccc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1451442658 RHSYCJCNSWUBFW-QRVBRYPASA-N 432.542 1.954 30 10 IDEE C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1456203786 CKQVUNJPKIMYLG-RLFDGXBXSA-N 430.313 1.508 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1494682360 XSQGYXNHEBUGQZ-NEIYXTIMSA-N 432.550 1.639 30 10 IDEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1501503043 JJZYKOOMMCADFP-HTXNQAPBSA-N 429.525 1.712 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1502122850 KDKXFDPIDDNRNC-YGCDDZCOSA-N 439.520 1.815 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1502495348 DLTJPNITZNPWOM-UHFFFAOYSA-N 446.533 1.530 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1507630858 IYSDPTPCWICRSV-GOSISDBHSA-N 439.545 1.562 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1507640600 UGNBJCAWUSOIER-CQSZACIVSA-N 429.493 1.073 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507654626 NBWSRQFVNSSRQF-LJQANCHMSA-N 441.557 1.662 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1507750763 DMXLYQAPRWGBJZ-IKGGRYGDSA-N 441.623 1.460 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507755878 JLOAJSCWIPJUBX-UHFFFAOYSA-N 448.618 1.396 30 10 IDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1507995867 RGFKLGYCKQPFAM-VXPUYCOJSA-N 425.493 1.082 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1508160416 GHNWYHZFYFJQCG-INIZCTEOSA-N 441.623 1.911 30 10 IDEE CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1508667643 WKXUEABQPSUDJX-CALCHBBNSA-N 426.477 1.903 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccn4)n3CCOC(C)C)CC2)c1C#N 1511661320 DOHHLLUVZGSLJL-UHFFFAOYSA-N 449.563 1.929 30 10 IDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1539525129 UPCNIRSTMSWRRK-FQEVSTJZSA-N 441.601 1.959 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539533061 JVZAQHZDYPJRMQ-BBWFWOEESA-N 442.607 1.382 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C 1540861684 BSYDTOZFLBIGSB-UHFFFAOYSA-N 437.508 1.214 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(C(C)=O)CC1 1540867380 UMCZNSFAQSEGOD-UHFFFAOYSA-N 433.516 1.854 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540874524 JMRKKTWFUPHYOQ-SJORKVTESA-N 427.461 1.582 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540875745 WTHZYXDBCAFYOC-DLBZAZTESA-N 443.460 1.282 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1540900346 SFCFUKCUZHGRQW-OAHLLOKOSA-N 433.534 1.221 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1541729004 RJNXPUUWQOQWTL-VXKWHMMOSA-N 446.552 1.308 30 10 IDEE C=CC1(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1544079077 DOWYGUUHHOCBJX-IRXDYDNUSA-N 442.578 1.994 30 10 IDEE N#Cc1ccc(C2(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CCOCC2)cc1 1544235292 KHIZMODUHWCPLZ-UHFFFAOYSA-N 444.491 1.752 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1548281091 WCFNWBAZJMPPGE-HXUWFJFHSA-N 426.521 1.391 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2ccccc2Br)c1 1557012040 BJRJXLDOBDZNNC-KRWDZBQOSA-N 437.315 1.824 30 10 IDEE CC1(c2nnc(-c3cccnc3)o2)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1557582159 LBXGAAJUPLRDAM-UHFFFAOYSA-N 437.481 1.718 30 10 IDEE C#CCC1(NC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CCOCC1 1558419153 YJJNADFMPPLUOY-UHFFFAOYSA-N 444.557 1.758 30 10 IDEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)CC(=O)OC(C)(C)C 1559975986 DYZHLASGKRMJBO-UHFFFAOYSA-N 443.953 1.806 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)NCC(=O)NCC#N)c3ccccc3O2)C1 1564721226 PVQINYLBFZCGCR-AOMKIAJQSA-N 443.504 1.829 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 1565718271 DEDOVCVOIPSISJ-YLJYHZDGSA-N 442.541 1.196 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 1584483665 XGOOWLGLXPKXLH-UHFFFAOYSA-N 425.445 1.769 30 10 IDEE C#CC[C@H](COC)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1586385754 IQLDOWLYDMEGFW-IAGOWNOFSA-N 444.557 1.699 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(C#N)cc3)cc2)CC1 1587233407 GHAFRIBNABLXQE-UHFFFAOYSA-N 440.525 1.384 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1587759210 QLXGRTUZDOWGPC-IBGZPJMESA-N 436.516 1.701 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1588054292 MZFCQAUIOWBPTQ-ZSYWTGECSA-N 436.578 1.470 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C(C)C 1588089857 QBCBTPPIFUJKEI-UHFFFAOYSA-N 441.605 1.960 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1588138419 CIKLFLZQTNQAAR-NZQKXSOJSA-N 448.571 1.889 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)s1 1596011951 BGTRPEWHVBAURE-QZTJIDSGSA-N 441.619 1.639 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1596806289 FNLJOVNQXTYDAZ-GJZGRUSLSA-N 446.533 1.551 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCCS1(=O)=O 1602821773 DYDJBMPXADJUAY-GOSISDBHSA-N 443.577 1.962 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1613710044 LBSFBWOIXHQDPW-LSGABVIPSA-N 439.520 1.815 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)ccc1F 1616746886 AQFJUIQGJCUWMV-DHYLWCPWSA-N 426.510 1.992 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1617608325 BFYKIYNKTIPLHW-UHFFFAOYSA-N 433.472 1.460 30 10 IDEE CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2C#N)CC1 1618794668 QMGJSEVBGITPEI-UHFFFAOYSA-N 446.515 1.683 30 10 IDEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1618989393 OAWQGAFQIUXAJU-QZTJIDSGSA-N 438.536 1.493 30 10 IDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1619829053 RLDGZTSCFRBTMN-XUTLUUPISA-N 435.488 1.816 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CC(=O)NCC(F)F)c1 1620348748 FJDNUIQUURDVFR-ZIAGYGMSSA-N 432.387 1.312 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CC#N)CC1 1622396102 SHPZVPIOKDLJCE-IBGZPJMESA-N 443.548 1.596 30 10 IDEE N#CCCN(C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc2c(c1)OCCO2 1626888432 DZNCDCRRKUYGEJ-UHFFFAOYSA-N 430.482 1.713 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1628350997 URTZVMVWVJLMDJ-IBGZPJMESA-N 434.518 1.306 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)C1 1634108858 RHFMFSPSTINEQD-CFGMGRTJSA-N 426.539 1.212 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1634284658 CMMQGIJXIYASDF-INIZCTEOSA-N 428.514 1.582 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304341 LUQSIMLTZLLHHZ-SYAUCNOPSA-N 440.418 1.836 30 10 IDEE C#CCN(C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638330961 HJKFJFFNEYZENK-FPAYPSAMSA-N 445.516 1.010 30 10 IDEE COc1ccc(N(C)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1640770606 ANGMWDRNBCLVPE-INIZCTEOSA-N 430.530 1.828 30 10 IDEE C#CC1(O)CCN(CC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)CC1 1643960450 IGIGFUDHNLUBNB-UHFFFAOYSA-N 449.573 1.659 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H]3CCCO3)cc1)C2 1648291526 JNKZWNYUGVWTHL-CQSZACIVSA-N 446.554 1.858 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](c4n[nH]cc4N)C3)CC2)cc1 1648721531 UPXQOXWQCWGOCJ-MRXNPFEDSA-N 428.518 1.280 30 10 IDEE C#CCN(CC(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)OC)C(=O)OC(C)(C)C 1652809524 YQRLEBIXBVVTMJ-JOCHJYFZSA-N 428.489 1.955 30 10 IDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)[C@@H](O)c1ccc(C#N)cc1 1653717286 PIBJCUDWRRBPQV-KRWDZBQOSA-N 440.504 1.895 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 1659831704 KRTBQSDOZOSCFJ-UHFFFAOYSA-N 426.448 1.743 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1689841764 NTCANMTYCIQORX-MRXNPFEDSA-N 447.561 1.846 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccs1 1690006475 QIBLYWSHKKELFD-UHFFFAOYSA-N 440.554 1.773 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](CO)O1 1690092249 AYKSRKLPDVPGKB-VQTJNVASSA-N 441.507 1.719 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOCC2(C)C)CC1 1690115282 ZOLRNEUNWGHIGC-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690182831 HGYAKZVCQSDGCD-QGZVFWFLSA-N 436.607 1.520 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690311729 SJLNPWQZSYUMOW-SFTDATJTSA-N 432.613 1.981 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C 1690508678 MZSHDYSHZLOXOP-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690663891 HRHVNOLPCYWRSJ-ROUUACIJSA-N 428.537 1.696 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690671570 YWKKTFAPUGMYHU-JHJVBQTASA-N 435.472 1.117 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](COC)C1 1690723172 KFOMRQHTNBWYDR-AWEZNQCLSA-N 437.522 1.079 30 10 IDEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@H]1N1CCOCC1 1694911576 LVPSPDUQFXFMGF-VQIMIIECSA-N 441.536 1.476 30 10 IDEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1698424156 GNHUTBKKSWBWKD-IBGZPJMESA-N 435.575 1.556 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1705567386 XONUEUZVTLDBRG-SFHVURJKSA-N 427.530 1.190 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705583950 QWXAFOBLEQSZSD-HXUWFJFHSA-N 432.933 1.145 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1705598510 KZDYIAJFICDGQB-ROUUACIJSA-N 429.546 1.539 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)cc1 1705629338 FJYPVHNNXXKVNL-UHFFFAOYSA-N 443.511 1.750 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCCCC2)CC1 1705648104 NUCPALYPGJOYNT-HXUWFJFHSA-N 428.581 1.624 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705798847 CVFCXAJFNIXTQF-UHFFFAOYSA-N 445.568 1.044 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705806761 LTBRWWKVRBOBDJ-VFNWGFHPSA-N 429.525 1.400 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705825551 WSUOSCMVKJWZAC-UHFFFAOYSA-N 425.493 1.544 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1705867992 ZAUNBKGAVOMAOK-UXHICEINSA-N 441.580 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705896729 WKCAWJRXFVYZID-QGZVFWFLSA-N 442.520 1.369 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705899600 ZNWWLJXYQUHZCU-HUUCEWRRSA-N 430.534 1.377 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1706643769 DOZAVTXEJURCEX-GOSISDBHSA-N 435.532 1.836 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1709444899 JFVAWSZBSZOSNX-QFIPXVFZSA-N 435.536 1.823 30 10 IDEE C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722372308 UENYEAJRJMRMTB-GOSISDBHSA-N 446.573 1.872 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[S@](=O)CC)CC1 1722429657 PSGVSWQPRPEHMY-WJOKGBTCSA-N 442.589 1.671 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1722437879 LCDXVUIRKVHGNO-GOSISDBHSA-N 433.516 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCS(C)(=O)=O)CC1 1722445244 NAOALUAQWOBRJG-UHFFFAOYSA-N 433.509 1.095 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722459637 OFQHSBQDVTWOQA-QZTJIDSGSA-N 434.610 1.185 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722631759 WANFDHYYHOWDPD-XHSDSOJGSA-N 428.603 1.398 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)C1CC1 1722726379 DFNBYKKMCAPJRW-GOSISDBHSA-N 429.546 1.999 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726909756 RFYYXONWAAMWFQ-MIKJEETESA-N 432.525 1.558 30 10 IDEE CCC(CC)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)SC 1727136992 DKLBYRQHWHOTLG-ZIAGYGMSSA-N 430.600 1.539 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1728211315 QUIKIQSXNRJMMR-NVXWUHKLSA-N 439.524 1.033 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1729396456 FHSVMYANYXDKTN-GBESFXJTSA-N 445.545 1.228 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1731018754 NUQQNASSXGIOBX-SFHVURJKSA-N 440.476 1.377 30 10 IDEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740584773 JYTSTIQBRONUJT-WBVHZDCISA-N 440.479 1.118 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740622170 ADNLUJOMEZABBL-HXUWFJFHSA-N 441.557 1.983 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740628626 RZBJNQZGWWETLM-YRNRMSPPSA-N 434.518 1.257 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740636138 UPRJSSHFHCSVLU-INIZCTEOSA-N 431.949 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740649389 SRXUDCQRAFLKOP-QGZVFWFLSA-N 429.546 1.603 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1740685714 LGTZGZUUCPNLIB-UHFFFAOYSA-N 433.459 1.092 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1740705583 JNMJWFNLMPUVFB-VGSWGCGISA-N 443.573 1.717 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740846310 UVMQNWZODPDOHS-UHFFFAOYSA-N 437.548 1.870 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1740851472 XDXIKWCVUAGHGM-MRXNPFEDSA-N 438.598 1.634 30 10 IDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C(C)=O)CC1 1740895730 RSTOAZFNHLAHQH-UHFFFAOYSA-N 426.521 1.503 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)C1 1740982574 VDXDZNHUMDRRHH-KFWWJZLASA-N 432.493 1.386 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740985875 MURVAXDBPMODOA-AWEZNQCLSA-N 430.534 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC=C(Br)C1 1740991612 ALTXYJWQTVNPQL-ZDUSSCGKSA-N 431.356 1.872 30 10 IDEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1741122321 KNJJVPIEJWVECO-UHFFFAOYSA-N 445.531 1.850 30 10 IDEE 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C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1748925676 LLJKQBXRUGFNHE-SFHVURJKSA-N 435.594 1.285 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749133813 QKJLOPCMQOBHJO-LMNJBCLMSA-N 443.523 1.940 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749386117 AQOBQPISOMPXPZ-UHFFFAOYSA-N 429.569 1.271 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749450523 KBBXGFVTTQTTMK-IBGZPJMESA-N 432.569 1.265 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749456882 MRQANFNMSXCQOI-GOSISDBHSA-N 436.520 1.415 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2cnn(C)c2)CC1 1749677767 KIKNLCFHBSUUGY-UHFFFAOYSA-N 437.552 1.559 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](CO)O1 1760110201 BJWCTCMQBVTIFS-HRCADAONSA-N 432.550 1.236 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(C(N)=O)CCCC2)c1 1760127647 HFRXVIYGKBNBNX-UHFFFAOYSA-N 438.532 1.917 30 10 IDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760156892 WVQIULVQDWSSLJ-UHFFFAOYSA-N 442.589 1.325 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1760186206 BLKMJMGQPSVDJW-KGLIPLIRSA-N 429.340 1.317 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)N(C)C 1760247352 XZIUXEDTXQUDGH-UHFFFAOYSA-N 443.932 1.715 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1760263955 VYOPRVSBCMCPQV-KRWDZBQOSA-N 425.533 1.950 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(CC)CC1 1760297554 ZLCYDKAOZXZSSB-AUSIDOKSSA-N 427.597 1.419 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760356843 YCCZEQOJBXVLHJ-KRWDZBQOSA-N 427.571 1.630 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1760495590 RWCHUMABWAFIKW-HNNXBMFYSA-N 435.575 1.850 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CCC2)C1 1760534184 SIQNSAOEUZTYEU-HNNXBMFYSA-N 425.555 1.165 30 10 IDEE 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C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3Cl)C2)CC1=O 1855886556 LCEUXVOBGCKOQI-HNNXBMFYSA-N 425.938 1.740 30 10 IDEE CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(C#N)c3)nc2)s1 1858292897 UAOZZQLZUMQFRY-UHFFFAOYSA-N 443.470 1.816 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2)C1 1858336542 SYKTUAJKDFFJGN-HNNXBMFYSA-N 425.919 1.953 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 1889306105 RNARWEDMPSFPOJ-FQEVSTJZSA-N 432.609 1.282 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCCO)Cc1ccccc1 2247897705 WFHGZSAAXDCCIV-UHFFFAOYSA-N 435.355 1.293 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2251305682 CWBXOJWXTPKCJI-FTIDZICGSA-N 426.319 1.023 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2255607677 BPLKMJFSKTZAGI-ZDUSSCGKSA-N 435.334 1.244 30 10 IDEE Cn1cc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255613487 CRDUKOGFTKCQSZ-UHFFFAOYSA-N 444.288 1.609 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2255629540 XFXDBHBNRZDMQX-UMVBOHGHSA-N 432.330 1.837 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255692591 BWGDBFACHWCRAV-CYBMUJFWSA-N 435.334 1.101 30 10 IDEE Cn1ncc(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2255805888 BGDLGCFPPWQRIT-YEJXKQKISA-N 432.330 1.459 30 10 IDEE Cn1ncc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255825434 ZFRLVPSKISCTIS-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255851681 UHUGYZARHSDLSA-ZIAGYGMSSA-N 436.314 1.991 30 10 IDEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2256056456 DMYONRQZMAPTLP-UHFFFAOYSA-N 430.314 1.611 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)[C@H]1OC 2256675804 SZTZYAQBPQUIHP-PMPSAXMXSA-N 438.330 1.387 30 10 IDEE CN(Cc1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)n[nH]1)C(=O)OC(C)(C)C 2267196453 QFBRIMQEQVVFSK-UHFFFAOYSA-N 447.305 1.446 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](C#N)C1 2267265169 BIJDYLQEMCVAEX-KRWDZBQOSA-N 442.325 1.966 30 10 IDEE CN(Cc1ccccc1)C1(CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCC1 2267266929 GTZMEAFIUXBRRR-UHFFFAOYSA-N 439.369 1.899 30 10 IDEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1NC(=O)C(F)(F)F 2267491951 LKQDJIQBJGVHAH-AAEUAGOBSA-N 444.263 1.248 30 10 IDEE Cn1ncc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2267510494 LVNBHIULUWYTSJ-HOTGVXAUSA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2267513763 QQZGIRHYODEKQP-ILXRZTDVSA-N 446.357 1.942 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646090 XITBKPALMIVKKE-QAPCUYQASA-N 448.369 1.919 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@](F)(CO)C3)cc2Cl)OC1(C)C 2282316860 IXVUFUNZOSQDMX-OAHLLOKOSA-N 425.740 1.796 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@](C#N)(C2CC2)C1)NC(=O)OCc1ccccc1 2286045210 MVRXRBCGXOVXHF-YLJYHZDGSA-N 435.502 1.410 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 2296626437 QSDZZFZZKMVZKL-FQEVSTJZSA-N 439.516 1.576 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300334311 QQPBXSKCEPESEC-UHFFFAOYSA-N 441.359 1.713 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1 20292981 DZZNYUDVCNSVHD-FOKLQQMPSA-N 429.481 1.994 30 10 IDEE N#Cc1c2c(c(SC/C(O)=N\c3c[n+](N4CCOCC4)no3)sc1=N)CCCC2 199149975 YIASQTIJJAQPMI-UHFFFAOYSA-O 433.539 1.602 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(CCO)[C@H](C)C3)c2)c1 427426140 ADTGIZUWHXGLGV-GOSISDBHSA-N 449.507 1.337 30 10 IDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)C1 481066705 CWRKMVJZZOXZDI-VQIMIIECSA-N 436.553 1.840 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 485116229 JVYXNZACVFNOAS-OALUTQOASA-N 439.516 1.584 30 10 IDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)C1 501546792 AGPYIAIDEOQROO-IBGZPJMESA-N 438.576 1.572 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 518799797 UDQQKAQUBHBSKJ-MOPGFXCFSA-N 432.569 1.465 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1-c1ccccc1C#N 525266042 DIEGLADPXHUVHI-UHFFFAOYSA-N 430.489 1.166 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)CC1 537043070 QTOQGHRWVCQMJW-RTWAWAEBSA-N 429.609 1.793 30 10 IDEE C=CC[C@H](CO)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 540420395 OXBYGEOBEJDTJL-BBRMVZONSA-N 431.352 1.903 30 10 IDEE COc1ccc(Cl)cc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 551521700 MIFIXIJVUFQDSG-UHFFFAOYSA-N 430.896 1.227 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 603798402 KXDBBLSFWJWXDO-QGZVFWFLSA-N 427.501 1.353 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 603990198 RLICOYRVBOUEGQ-AWEZNQCLSA-N 438.336 1.645 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cccc(C(=O)N=c3cc[nH]cc3)c2)cc1 609648000 VHUGOAIUYQWGTQ-UHFFFAOYSA-N 448.504 1.859 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2)nc1 619757114 LQSWVFYNGFABAA-HXUWFJFHSA-N 448.527 1.901 30 10 IDEE CCn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1C[C@H]1CCOC1)CC2 619858302 YRXXFQSVPGYFRQ-QGZVFWFLSA-N 431.500 1.993 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)NC[C@H]1CN(CC(C)C)CCO1 749914554 WLBCTNVLROMKHJ-KRWDZBQOSA-N 428.489 1.880 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(OCC)cc2)C1 760303402 BXFOMVWYDXQBSY-WBVHZDCISA-N 447.561 1.957 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 762610835 CNALVXYIOZVMSS-HIFRSBDPSA-N 436.534 1.487 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(Cc3ccccc3)c2=O)cn1 772277037 PKGJTXQFOYGYCN-UHFFFAOYSA-N 433.537 1.674 30 10 IDEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 778612449 YJUHBCQSNGKNEJ-GOSISDBHSA-N 427.505 1.849 30 10 IDEE CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780174365 BXFVFDKKSOAOTR-VBKZILBWSA-N 425.482 1.480 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)ccc2c1=O 787663849 XFTFNZPZDWJJIA-RYUDHWBXSA-N 432.502 1.057 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 788016454 UEXVVUMEKIRIFO-UHFFFAOYSA-N 435.531 1.424 30 10 IDEE C#CCN(C(=O)NCc1cc(Cl)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 798490947 FLYWCYYLIWQPRG-QGZVFWFLSA-N 425.938 1.509 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 802142810 FZKCGPZDVBBRJS-QZQOTICOSA-N 427.480 1.889 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cc1C#N 803400909 LZMQCJFDQPWZHI-FQEVSTJZSA-N 440.475 1.512 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1C 807928459 FKRWTAVQYDCZEX-SFHVURJKSA-N 443.577 1.632 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1F 914469109 BTUUFRIUTHCMKV-MRXNPFEDSA-N 439.509 1.001 30 10 IDEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc1OC 1084159346 RNYYFJOZSLIETG-UHFFFAOYSA-N 430.494 1.410 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1132192998 SVDJNRSNQNUYHS-INIZCTEOSA-N 430.910 1.512 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)s1 1144940985 KFEJRMAYLNONRX-UHFFFAOYSA-N 449.620 1.027 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NN1C(=O)[C@H](C)N(C)C1=O 1148178441 AFVKUNXRKHOVLN-VIFPVBQESA-N 425.239 1.412 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@@H]2COC(=O)N2)CC1 1157735175 BEALZRMZIYRRGQ-IRXDYDNUSA-N 448.545 1.631 30 10 IDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1159656103 GXUDYASDAVFZDZ-IBGZPJMESA-N 443.481 1.324 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 1162046102 KKAFOMARSDAVJV-XROPSADXSA-N 434.415 1.865 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1286296991 UDGVFJPAKOKLAN-PKOBYXMFSA-N 447.561 1.286 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286340062 VNBWMYQKWNYDAW-GOSISDBHSA-N 429.488 1.762 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1286382462 AUZCUQOAHUEZAE-INIZCTEOSA-N 446.529 1.836 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286683525 SWAKRDGCXFSDSK-IAGOWNOFSA-N 438.598 1.836 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286690534 RXRMBBAUHFQLNX-ROUUACIJSA-N 432.569 1.848 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286710911 FWCDGZHWXWNQQM-UHFFFAOYSA-N 449.519 1.148 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)NCCC)CC1 1286784725 RQMAUUFICVMJOD-UHFFFAOYSA-N 440.548 1.999 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286786140 YETMCRLPZLAGEW-QGZVFWFLSA-N 425.537 1.631 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1286833145 WBGHBOQCOAQMCF-INIZCTEOSA-N 441.623 1.404 30 10 IDEE Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)n1 1290002075 BIOKULHTWKILGZ-MRXNPFEDSA-N 431.566 1.965 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1291970387 FIDMICYXIKRODJ-HTAPYJJXSA-N 427.505 1.628 30 10 IDEE CN(c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1298139986 TUWASBRHHSMWMC-UHFFFAOYSA-N 443.533 1.657 30 10 IDEE COC1(C(F)(F)Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1299739877 QYPWFJCEOZFXEO-QGZVFWFLSA-N 448.474 1.824 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)C1 1300020423 IDKOJDKGPIYDPL-XLIONFOSSA-N 437.475 1.408 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCOCC2)c1 1300319462 BEQWEONNAPFDBE-LJQANCHMSA-N 436.560 1.739 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 1300363756 GASHOIGJMPPUQM-ZACQAIPSSA-N 425.555 1.028 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1300396242 NFTXWHWUUXIOJZ-UHFFFAOYSA-N 425.463 1.067 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1300482693 GPFXQDWROITMGQ-IRXDYDNUSA-N 430.530 1.868 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300485189 YDKRDRKZJYATOU-VQTJNVASSA-N 439.541 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H](O)C1 1300527303 DYAGZEMEKXFEPK-ROUUACIJSA-N 440.573 1.862 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCO[C@@H]2C)n1 1300681152 KQZPGQPPCALBCA-SFGWALBWSA-N 444.536 1.152 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300700664 UGXCBBMWXKILHJ-LEWJYISDSA-N 430.597 1.284 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)CC(F)(F)F 1300780306 PFMVQOIPQVYARJ-XJKSGUPXSA-N 436.504 1.375 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1300805817 IXPWHQKBOXQCNG-KSFYIVLOSA-N 446.552 1.667 30 10 IDEE COCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCC1 1301142822 IFEKLPFBROZIKD-HOTGVXAUSA-N 440.570 1.024 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1301327157 NCEYNFYBYHUKLQ-ZBFHGGJFSA-N 428.580 1.302 30 10 IDEE C#CCCN(CCOC)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1301378253 CWVLLFBBDJYYCN-HSZRJFAPSA-N 433.508 1.998 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(F)(F)[C@@H](C(=O)OCC)C2)s1 1301784677 CJSJITVMFVHGMC-CYBMUJFWSA-N 436.502 1.802 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3C)CCO2)cc1 1302611399 UAXIUFFKMKCINO-NRFANRHFSA-N 441.553 1.537 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@@H]2COCCO2)cc1 1302989334 KJZIQESSHDEYDA-LJQANCHMSA-N 440.504 1.093 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1304902439 AZYVAQCKAZPVOX-INCQDFKNSA-N 426.546 1.785 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cn2ccsc2n1 1305790026 HFYGZSMWQOXINY-HNNXBMFYSA-N 428.522 1.683 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Nc2cccnn2)CC1 1358920104 SFQKKAWBNLWHAW-HNNXBMFYSA-N 432.554 1.173 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358962989 ABXCVAHVPKREGS-QZTJIDSGSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1358963363 GPRAEVGGWQEHDF-MRXNPFEDSA-N 448.593 1.456 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)COCCO1 1358971987 PJAHEQMYJSPLGJ-HSZRJFAPSA-N 440.500 1.849 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC2CCOCC2)CC1 1359040208 LVCANBCHMOICBG-SFTDATJTSA-N 431.581 1.964 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1359070421 MGWXOPIMEZDOMH-FXAWDEMLSA-N 448.549 1.256 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1359110876 GBMQLLYFTMRQSX-UHFFFAOYSA-N 437.595 1.516 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359226653 JHEFWTXGYTXWEO-QZTJIDSGSA-N 429.525 1.232 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)cc2)C1 1359313731 QNZTYXJSKFKUQD-CVDCTZTESA-N 441.532 1.859 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1360201085 ZUVYGNVNFQKJTG-QFPXGYFVSA-N 443.552 1.815 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCSC2)CCOC1 1360339390 TVFRLACNYJQADG-IPMKNSEASA-N 425.530 1.629 30 10 IDEE COC(=O)[C@H](O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1446514077 NUEQPXBZMNDEPZ-QNOZYLDQSA-N 435.521 1.546 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CS1(=O)=O 1452966111 RZRVLQVJDKXNLR-IAQYHMDHSA-N 426.336 1.839 30 10 IDEE C#CCSCC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1456504921 PMKITCIOCBNUSU-UHFFFAOYSA-N 445.404 1.733 30 10 IDEE COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1466413255 AKUYRXUUEYDUPE-RDJZCZTQSA-N 436.306 1.936 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)CC1 1468194967 LWEIDJZGLOZMMF-KRWDZBQOSA-N 436.578 1.546 30 10 IDEE C#CC[C@@H]1CCCN([C@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1473581131 ISCNUFRJHIZHTE-IAGOWNOFSA-N 433.553 1.434 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1502443962 DAAZMUXCPKPLMR-RBUKOAKNSA-N 439.520 1.208 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1507531273 CFSNVHUYXKWPCF-IAGOWNOFSA-N 443.577 1.345 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1507623583 UNOJURMNMNDDQA-MRXNPFEDSA-N 435.594 1.509 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1507632795 ASKWDYHJFSKLNY-SONOPUAISA-N 448.614 1.573 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1CC(=O)N1CCOCC1 1507655638 MCYIEGJRPVDZHL-UHFFFAOYSA-N 437.500 1.187 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CC(OCC)C2)CC1 1507739699 UKYNOYJGHKAWPX-FVRICEFQSA-N 445.564 1.416 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1507761210 KXNMPDMHYGZKKM-OAQYLSRUSA-N 443.577 1.627 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507810274 LENVDXMMKWNQDA-LMMKCTJWSA-N 441.598 1.561 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507839280 BOHWAZVTSINEFV-GOSISDBHSA-N 439.520 1.699 30 10 IDEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(=O)(=O)NC)CC1 1507884197 QDDCRTXGFOFVLG-UHFFFAOYSA-N 429.506 1.300 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1)C1CC1 1507992943 LJVNTDXHJDSWNT-LJQANCHMSA-N 447.561 1.845 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)CCOC 1508059041 KTWBURLUISCBSV-MRXNPFEDSA-N 425.530 1.872 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1508156258 VRRJESPYCINBRB-OAHLLOKOSA-N 430.538 1.071 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@](C)(O)c1ccc(F)cc1 1510147353 BRDWZTXIUSDDRG-NJSLBKSFSA-N 438.529 1.673 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)no1 1513736346 HOPJRMPQSIYNMP-QGZVFWFLSA-N 434.504 1.967 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)c2ccccc2c1=O 1515945130 UKAYPFWLYSCPHL-NPMXOYFQSA-N 448.531 1.749 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CCS(=O)(=O)CC)n2Cc2ccc(C#N)o2)CCOC1 1516154207 NIUTXHRUIWPUEL-IBGZPJMESA-N 437.522 1.314 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1517005031 BNFXYRKAMPHMNR-IBGZPJMESA-N 436.564 1.961 30 10 IDEE CN(CC1CCCCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1517217502 KNJOXJPQBIQZNG-BSBNDGSWSA-N 441.536 1.772 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCc2ccccc2)CCO1 1521122231 VBLVBUGXASFHJK-GOSISDBHSA-N 433.472 1.871 30 10 IDEE C=CCN(C(=O)[C@H](NC(C)=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1528599810 HJTDQSTXHIVVQQ-JKSUJKDBSA-N 429.336 1.828 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539068555 WICBOYBXGYWCPW-INIZCTEOSA-N 428.493 1.151 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539101984 OUIMFGXONHNNOK-KRWDZBQOSA-N 432.506 1.785 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539132371 JWMFEUUQBGSEAN-UHFFFAOYSA-N 447.547 1.374 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F 1539259864 JFMRQMZAOSPJID-OAHLLOKOSA-N 432.406 1.686 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)CC 1539389956 HAMBHOADJIETHB-UHFFFAOYSA-N 428.493 1.949 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1539392178 MVGNZRKXMIKXIG-QGZVFWFLSA-N 435.525 1.452 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CC 1539409022 LTUDGRWHJPBGJX-FQEVSTJZSA-N 434.566 1.485 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539445921 KMULZIANGOIPMP-IAGOWNOFSA-N 445.568 1.240 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ncnn2C(C)(C)C)CC1 1539454598 UOZZESOQMARXGL-UHFFFAOYSA-N 439.593 1.784 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1539477111 IMLBKYYMLPBCSY-QUCCMNQESA-N 437.548 1.762 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539499534 MIDXXFBQNJSNIJ-IBGZPJMESA-N 439.566 1.810 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(c2nccc(OC)n2)CC1 1539609646 QOYDLTLPPLXTKF-UHFFFAOYSA-N 438.330 1.848 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC(C(N)=O)CC1 1540875351 IVQHIPGUVLVDFN-UHFFFAOYSA-N 428.562 1.883 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c([N+](=O)[O-])c1 1540981448 HCDSGKLJLJWTTF-UHFFFAOYSA-N 443.481 1.305 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnn3c(=O)cc[nH]c23)cc1 1542161955 YFSXSCDBTOXJGM-JJIBRWJFSA-N 442.501 1.868 30 10 IDEE Cc1ccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1B1OC(C)(C)C(C)(C)O1 1543504484 NNDYRMRAJSXEIG-UHFFFAOYSA-N 438.340 1.770 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1554352948 MRFVSGNHYABKKJ-VQTJNVASSA-N 446.508 1.269 30 10 IDEE COCCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1555476460 XFFKRUIBRLWCTQ-UGKGYDQZSA-N 432.569 1.922 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(Cc4ccncc4)n3CCOCCCO)CC2)c1 1555990165 FHORUEQKNVOIIV-UHFFFAOYSA-N 448.531 1.256 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c1 1556733436 CXEXRUPYIGRGGL-JXFKEZNVSA-N 429.494 1.706 30 10 IDEE C#C[C@@H](NC(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)c1ccc(Br)cc1 1556781480 HPJKXIXOPDCHSP-CQSZACIVSA-N 433.262 1.947 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CC(N)=O)C2CCOCC2)C1 1566199525 QBGWVXHVUGXQRZ-MRXNPFEDSA-N 435.322 1.544 30 10 IDEE C[S@](=O)C1(C(=O)NCc2ccc(C(=O)NO)cc2)CCN(C(=O)OC(C)(C)C)CC1 1568181325 QKEMMJAUBZEVRG-PMERELPUSA-N 439.534 1.570 30 10 IDEE N#Cc1ncn(CCNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)n1 1586935484 HULBFTFMSDCXGZ-UHFFFAOYSA-N 426.296 1.283 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588075009 VMCIRBWVAJTSSO-IXDOHACOSA-N 437.566 1.061 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1588140662 ZSQXSIXZLAEBAI-FXAWDEMLSA-N 440.525 1.688 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H](C)C2)CC1 1588864556 FWHBLKQMNGCTQJ-OAQYLSRUSA-N 441.624 1.668 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC2)CC1 1588864758 JTRYHXRMKXVLFM-UHFFFAOYSA-N 427.578 1.121 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCO2)CC1 1588884700 KSZHMZQVFIGKDL-SFHVURJKSA-N 428.537 1.049 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOCC(C)C)CC1 1588923947 RLHZPPJRSLFHRF-UHFFFAOYSA-N 425.537 1.764 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589053825 VETYTRPJVMYUFN-UHFFFAOYSA-N 434.591 1.487 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccn2)CC1 1593691105 QXRYKEOKOMECJI-UHFFFAOYSA-N 426.525 1.223 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1594788728 RQKHHCHKWAFIRG-QGZVFWFLSA-N 448.545 1.941 30 10 IDEE C=CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCNS(C)(=O)=O 1595398617 HLWLOCPOOMTHRZ-HNNXBMFYSA-N 442.586 1.564 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595476827 NUFKHHMUMXJEFK-DOTOQJQBSA-N 442.495 1.670 30 10 IDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)cc1 1595892953 MIZMPRFDNCAZQK-UHFFFAOYSA-N 430.482 1.811 30 10 IDEE Cc1ccoc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1611873574 DMSKKWIWBFDKDU-UHFFFAOYSA-N 434.504 1.959 30 10 IDEE CCCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1614867328 XSICSTMNDBKVHU-IBGZPJMESA-N 437.548 1.929 30 10 IDEE CCCN1CCCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1=O 1614870849 DXULPNGPXOAFJS-MRXNPFEDSA-N 430.509 1.964 30 10 IDEE CCOCc1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616803926 ZYACQCOGWYBIBI-SGRLSNSRSA-N 443.552 1.406 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCC1 1620111599 ZVPKEVLZAVCISM-LNLFQRSKSA-N 432.525 1.133 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC(CC#N)CC1 1620169041 BHNKOFHSKTWSOM-GOSISDBHSA-N 429.550 1.894 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2sc(C(=O)OC)cc2Br)nn1 1622441706 YGCVBBUYJCHEQU-UHFFFAOYSA-N 435.325 1.943 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)cc1 1624944398 AUFYEAOSRKNUME-WBMJQRKESA-N 438.531 1.722 30 10 IDEE C#C[C@H]1COCCN1C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1626206105 XMGNOBUNCJYFJB-AOMKIAJQSA-N 447.491 1.630 30 10 IDEE Cc1c(C(=O)N2CCC(n3nncc3I)CC2)cnn1CCC#N 1629391162 GYPFHXYAXQCKFL-UHFFFAOYSA-N 439.261 1.779 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1632268424 AKLSDGCVCSYKOD-KOMQPUFPSA-N 436.534 1.912 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1640293866 GMWSTUOKXGUMIZ-UHFFFAOYSA-N 435.481 1.304 30 10 IDEE COC(=O)[C@]1(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)CCOC1 1647810022 PWQJSHXKQNVTKR-NRFANRHFSA-N 432.546 1.387 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN(C)CC(F)F)nnc12 1654760510 YCGNPZYUYZBTRH-UHFFFAOYSA-N 436.488 1.635 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1670882145 DQMZIJGFNLTVEW-LBPRGKRZSA-N 437.331 1.639 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 1684235736 LKXSWKIMJUBTTD-VQTJNVASSA-N 432.546 1.922 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1689847687 FWPBFXSSFZNCFC-OAHLLOKOSA-N 445.483 1.673 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1689888906 UFPCWMBAFLIZHS-SFHVURJKSA-N 429.569 1.023 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1689989922 JTVMKFOQSONOMD-ZWKOTPCHSA-N 437.610 1.734 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1690077057 HTCAJFZYWIWEKI-IAGOWNOFSA-N 431.566 1.042 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1690137030 MOORAFIHHZMTSN-RTBURBONSA-N 430.597 1.867 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1690251341 SRTKBZCWUUKYTL-AVRDEDQJSA-N 444.580 1.734 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690309921 NTYFQCRBGXBPCS-QZTJIDSGSA-N 429.525 1.232 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC[C@H]1C 1690663267 RACQWFCLIOPCAM-CQSZACIVSA-N 435.575 1.593 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690676839 GGXMCTUTYFAWKU-JOCHJYFZSA-N 434.585 1.588 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1690723981 FSLMTPBTBOIRAN-IBGZPJMESA-N 448.593 1.804 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690752632 NAXHAOUKTDECOO-QGZVFWFLSA-N 448.593 1.320 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1690921523 HWSHLIXGNOOSGT-UHFFFAOYSA-N 445.527 1.977 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1Cc1ccc(C#N)o1 1692508044 WFMCIVIXMVLZMJ-MRXNPFEDSA-N 449.519 1.824 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1692557409 AFXOIJANMVFHLX-UHFFFAOYSA-N 430.534 1.613 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCOC1(C)C 1693861325 BKSMMAZLIAUIJK-INIZCTEOSA-N 447.561 1.882 30 10 IDEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1696786435 HCVGWXYXLUYVKI-UHFFFAOYSA-N 429.488 1.979 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1705495925 XOCJGVGYNRJCPQ-VQIMIIECSA-N 447.561 1.516 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(S(C)(=O)=O)CCC2)c1 1705506538 AYSAUMLGRJZPHL-UHFFFAOYSA-N 429.546 1.864 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705559616 DHDMCOKVEHILEI-HZPDHXFCSA-N 439.582 1.943 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 1705652928 SIQMCIFHCQJLOT-UHFFFAOYSA-N 427.578 1.806 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)NC 1705671393 JAKJZVYTWHTJSQ-HXUWFJFHSA-N 433.534 1.504 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705702330 GWFWAIPWUKANFM-LZLYRXPVSA-N 429.525 1.937 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705824966 FRZWVZWZMBSBHB-IBGZPJMESA-N 432.569 1.265 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1705900626 KJUOFAHKXDERSN-IBGZPJMESA-N 449.515 1.841 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1710988703 HJMRCDCDJOTKAZ-QGZVFWFLSA-N 435.492 1.250 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1711026124 FRIXSFOCGYMAAY-UHFFFAOYSA-N 432.575 1.794 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(C)C)CCO1 1711360852 QAJVAJZVHHLAFA-IBGZPJMESA-N 426.521 1.831 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1712011914 BFLBUDRDDHEARO-INIZCTEOSA-N 440.504 1.640 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712598760 LVNCZTMLAVGHAF-RWNPKEDZSA-N 444.536 1.704 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2CCOCCCO)c1 1712879186 ZGGACRQSOCIFII-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1722380529 OWDRQZQPHOHFTL-UHFFFAOYSA-N 426.477 1.603 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCOCC(F)(F)C(F)F)CC1 1722439403 AJJSGCAHXJOBJA-UHFFFAOYSA-N 440.445 1.936 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCN2CCC)CC1 1722440500 JUVLPLXAVAAZGP-FQEVSTJZSA-N 427.597 1.420 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1722492476 SRHDKIOUGPCTPT-PDOICOKGSA-N 441.598 1.875 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722629877 ZPQQRERJZLTVKI-SVMVAKDDSA-N 433.553 1.766 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCc2ccccc2)CC1 1722699468 UZMKLOKZZHWJHS-NRFANRHFSA-N 438.576 1.839 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)C1 1722718281 IGFUESGFPYPHNA-MSOLQXFVSA-N 446.577 1.471 30 10 IDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1729544716 HFVDLAFGWBPCKH-HSZRJFAPSA-N 440.548 1.658 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1729692111 FONNOHPYDSGBHB-HJPURHCSSA-N 438.532 1.709 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCO[C@@H]1C 1730760326 OBQZOJRWNFUCBZ-QRWLVFNGSA-N 430.465 1.760 30 10 IDEE CS[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1731038600 HKRLJAOUVCMTRH-CZUORRHYSA-N 443.581 1.221 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1740567919 XUVPVXGPXOEKJU-QGZVFWFLSA-N 446.581 1.117 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(S(C)(=O)=O)CC1 1740572529 NJGPLIIQSILYMY-UHFFFAOYSA-N 445.545 1.949 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1740599399 ACWNVSAVHUTMOC-ACJLOTCBSA-N 425.942 1.519 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1740617566 SYXLVVASGHNUDP-GOSISDBHSA-N 429.546 1.436 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1740622612 ZSGLSJIICOYEIK-KKSFZXQISA-N 443.529 1.411 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1740639221 SXCUMLZWIMSZCY-VQTJNVASSA-N 426.542 1.511 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1740692666 NVSUKEFZZWPXRH-PKTZIBPZSA-N 431.581 1.627 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740953326 BZUSHMCTLSPDTF-WBVHZDCISA-N 426.477 1.191 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1740954812 HGUJYMZZJZAWSC-INIZCTEOSA-N 426.477 1.383 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740961753 YNUQQTHYTDBQSC-UHFFFAOYSA-N 439.568 1.409 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)OC)CC1 1740963175 BQLOUJZVJBJRSO-UHFFFAOYSA-N 427.505 1.857 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740989427 MQSYVOSKTVALIE-FIKGOQFSSA-N 447.561 1.714 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741089669 SFIORSHUBLTGFZ-NXDJFEHLSA-N 443.552 1.455 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1741123794 AZKVLBIYDRTFDJ-WMZHIEFXSA-N 447.628 1.941 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N1CCOCC1 1741468373 NCLFFEVYZNEYGL-MRXNPFEDSA-N 425.537 1.732 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1742914617 QBFXCWQWMRJHCW-HNNXBMFYSA-N 431.456 1.909 30 10 IDEE CCS(=O)(=O)NCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1747448019 FPFFGNFJFNNKRP-UHFFFAOYSA-N 433.538 1.050 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)O)c1 1748692091 QWHPJYARERYEHW-HSZRJFAPSA-N 441.532 1.757 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748812813 ZYUBJQIENIXBPZ-JXFKEZNVSA-N 430.534 1.177 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1749116025 YQHUXAYTHLAPMW-OALUTQOASA-N 432.569 1.750 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749401598 AMVOXDBKDMODCV-MOPGFXCFSA-N 437.610 1.695 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749409236 RWYQRBLIQAAUQI-UHFFFAOYSA-N 425.541 1.623 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1CC 1749532180 RSWHEYYYLGPGSL-SFHVURJKSA-N 431.504 1.953 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749677041 LPHXHIGYTHBQNV-GOSISDBHSA-N 440.548 1.337 30 10 IDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)cc1 1749683954 LRCSXEMGXPAVLD-UHFFFAOYSA-N 426.521 1.774 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2scnc2C)C1 1749712963 NYMFWSJXBPGOPU-HOTGVXAUSA-N 437.591 1.969 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC)C1 1749719410 UWLDGYSDWCPMQY-GVDBMIGSSA-N 441.598 1.527 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749756161 UAKQTCILFSUUPM-HZPDHXFCSA-N 434.566 1.564 30 10 IDEE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1749842539 OKGNYFGVUIQOGD-IAFNSTAXSA-N 429.525 1.159 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCC2)c1 1760128375 GPZKXYYUQCCHLE-IBGZPJMESA-N 435.532 1.381 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760155112 QCHDDDYQFQXIKR-GOSISDBHSA-N 448.593 1.322 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1760179571 IYLKMGYLIZZNRI-INIZCTEOSA-N 442.524 1.573 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CCN1CCCS1(=O)=O 1760210729 UPVXFJRXFHVDKR-UHFFFAOYSA-N 441.557 1.528 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1760264120 CGESVGPOXIQXRN-UHFFFAOYSA-N 435.532 1.352 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(C)COCCO2)CC1 1760271609 DIZXYKXJHALWPG-QHCPKHFHSA-N 438.532 1.035 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1760517398 LDSAEBHCWRWUSB-LSDHHAIUSA-N 449.602 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1760553241 PCNZEHQSNAXQRU-FQEVSTJZSA-N 428.518 1.119 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCc2nccn2C1 1761479416 ORKFDZMJWNIKLK-CVEARBPZSA-N 446.581 1.477 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1761524795 WCHUYSFGTMTNPA-AVBTWRTFSA-N 428.468 1.764 30 10 IDEE CC[C@@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1764216373 SVNFOUFEBZPBPY-PBHICJAKSA-N 430.509 1.962 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766875262 AZEZYAWKUKATLY-FQEVSTJZSA-N 437.548 1.802 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1768463627 SFDRXSFHPKJNNE-UHFFFAOYSA-N 433.472 1.480 30 10 IDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c(OC)n1 1768681180 DUUKOCIHUYZHPR-HXUWFJFHSA-N 429.456 1.303 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1769367087 WBKKUTJOTDGHHG-QAPCUYQASA-N 429.550 1.039 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)N(C)C 1772523211 VDPPUQNBMKPCJV-OAQYLSRUSA-N 447.561 1.846 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772792783 OIZUXNLPTOWDGM-LLVKDONJSA-N 431.426 1.066 30 10 IDEE N#CC1CCN(C2CCN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1848852723 KCNHKECBNJYVRC-UHFFFAOYSA-N 442.944 1.984 30 10 IDEE N#Cc1n[nH]c2c1CN(C(=O)CCn1ccn3nc(-c4ccc(F)cc4)cc3c1=O)CC2 1853292528 BEHCKVUTIUNGQC-UHFFFAOYSA-N 431.431 1.872 30 10 IDEE C=CCN([C@H]1CCN(C(=O)c2cc(-c3cccs3)nn2C)C1=O)[C@@H]1CCN(C)C1=O 1854282416 IKGSSUCUGQDBBQ-CVEARBPZSA-N 427.530 1.608 30 10 IDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)[C@H]1C 1854314324 XMSAOEMQOKKZQM-OAHLLOKOSA-N 439.965 1.986 30 10 IDEE CN(C)CC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC4(CC3)C[C@H]4C#N)ccc21 1856532534 AFCGATADMOHUQX-INIZCTEOSA-N 430.530 1.368 30 10 IDEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3cccc4ccccc34)C(=O)C2)C1 1856838795 RZZZVXVVXRQZLV-QGZVFWFLSA-N 426.498 1.052 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868610482 CUTKLNOOKPESNJ-INIZCTEOSA-N 426.517 1.553 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870005057 VOFTZMPYICITFC-KRWDZBQOSA-N 426.502 1.940 30 10 IDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1nc(C)c(C(=O)OCC)s1 1872684243 PXLQCOFLGVZMDL-UHFFFAOYSA-N 435.462 1.843 30 10 IDEE CCOc1cc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)ccc1O 1873528882 IYQLERDHKIDIHK-KEGHGJGQSA-N 426.882 1.807 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1965767155 VLQCUVUJCDPNIC-SNVBAGLBSA-N 434.316 1.316 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)nn1 2124523703 JNMBCFFUUIZAES-SCAQPMJSSA-N 447.345 1.853 30 10 IDEE C=C(CS(=O)(=O)NC[C@@H]1CNCCN1Cc1ccccc1)B1OC(C)(C)C(C)(C)O1 2247905001 RECXSHIQIJRNIR-IBGZPJMESA-N 435.399 1.567 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248401227 GSFJJEMNLCWGDF-SWLSCSKDSA-N 440.371 1.938 30 10 IDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255596275 LTWGSYAJPUYGHR-QDMKHBRRSA-N 432.330 1.646 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255652320 SHICFGUETLXFDT-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H](O)C1 2255703693 WQOOVYZMLROUST-KBPBESRZSA-N 436.314 1.679 30 10 IDEE Cn1cc(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267134618 RZWZIBCIVCSFOT-GASCZTMLSA-N 446.357 1.943 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC3(CN)CCN(Cc4ccccc4)CC3)[nH]n2)OC1(C)C 2267137442 QGYLKKJZZOIURH-UHFFFAOYSA-N 439.369 1.432 30 10 IDEE Cn1nc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267536468 JLKLFBLHHXEJGV-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1cc(F)cc(C#N)c1)NC(=O)OCc1ccccc1 2286026975 OIHYXGAYCDILGS-QGZVFWFLSA-N 435.433 1.907 30 10 IDEE Cn1c(=O)c2c(nc(Sc3n[nH]c(N/N=C/C=C/c4ccccc4)n3)n2C)n(C)c1=O 21079040 FKTYCAVALTYILV-OZNFINNBSA-N 437.489 1.351 30 10 IDEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)ccc1O 21326604 OXBBUMWUTRIKRT-ZVBGSRNCSA-N 431.478 1.544 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 29780943 BQVDYHFGINZDSW-INIZCTEOSA-N 432.502 1.854 30 10 IDEE CC[C@H](O)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 96031653 OBFKEHNWUXWRPI-MFHJIPCZSA-N 446.540 1.688 30 10 IDEE in-vitro N#Cc1cc(N)cnc1-n1cnc(I)c1I 304375635 IPFVDDDFCKWNHU-UHFFFAOYSA-N 436.982 1.930 30 10 IDEE N#Cc1ncccc1OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 477043001 ZRMHXYCQYRABPP-UHFFFAOYSA-N 436.877 1.645 30 10 IDEE C[C@@H]1OCC[C@@H]1N(CCO)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 483279546 GMVDESQKEZWYRW-ZWOKBUDYSA-N 430.549 1.828 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 488587631 ZOXHKYYQQQHNLC-RYUDHWBXSA-N 432.868 1.975 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 501184282 XZTMEMPHXRVCOQ-ROUUACIJSA-N 433.534 1.119 30 10 IDEE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1Cl 505018648 MQTHIBZJNYMZNG-UHFFFAOYSA-N 433.896 1.249 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN3CCOC[C@@H]3C1)CCCC2 544521471 WHDHHSFSEATVHG-ZWKOTPCHSA-N 427.549 1.372 30 10 IDEE CSc1ccccc1NC(=O)CN(C)C(=O)CN1CCN(c2cccc(C#N)n2)CC1 544877055 JNEGJMAJQNNRGH-UHFFFAOYSA-N 438.557 1.894 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2C[C@@H]2CCCO2)cc1 561019650 COLACPGSXDNXLA-UGKGYDQZSA-N 425.489 1.903 30 10 IDEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1C#N 562252379 HOSWAULVSGCAJD-UHFFFAOYSA-N 432.477 1.922 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 564496283 KDDZAMQVNWITDU-SFHVURJKSA-N 430.578 1.935 30 10 IDEE CN1C(=O)C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 578267821 BDCWYLAJGSACDQ-YLJYHZDGSA-N 446.916 1.578 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)CC1 605410082 ISRVJJGUJSRVPO-RTBURBONSA-N 429.565 1.748 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@@H]1CCCO1 610574445 VHWSCKWSQFCXMI-SFHVURJKSA-N 435.549 1.748 30 10 IDEE CN(Cc1csc(C#CCO)c1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979609 FMXZRQHYQPICQE-UHFFFAOYSA-N 432.523 1.540 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccco2)C1=O 730145065 WBOBAOPFKQTKOT-KRWDZBQOSA-N 443.529 1.578 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 731901581 CXHMWRZHLCWYOV-UHFFFAOYSA-N 448.570 1.840 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccccc1C#N 732796332 BXQASQGHLKATIW-UHFFFAOYSA-N 446.536 1.576 30 10 IDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 735773850 CHDMCVNQFANKMH-KRWDZBQOSA-N 444.469 1.748 30 10 IDEE COC(=O)c1cc(Br)cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 736336772 CJOZHXUUTNWPII-AWEZNQCLSA-N 428.308 1.597 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)OCC)c1 742395238 SCMOBKISZVGHTO-LJQANCHMSA-N 428.510 1.750 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCc2cccc(C(=O)NC)c2)c1 752814707 PVXMLCZZQBHBRL-UHFFFAOYSA-N 433.508 1.852 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(c2cccnc2)C1=O 753146416 CXAIRQBVBGCCEI-KRWDZBQOSA-N 441.513 1.212 30 10 IDEE C#CCN(C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 774059309 WBXFQRYBIPTXLU-LBPRGKRZSA-N 427.408 1.940 30 10 IDEE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 781936529 ACNHBRCQLDNZPL-ZDBRSUKYSA-N 435.525 1.944 30 10 IDEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783943680 WQADPSVQWSWGCG-UHFFFAOYSA-N 428.539 1.532 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 788818920 BVHHLEAEZBHKFC-FHWLQOOXSA-N 446.573 1.398 30 10 IDEE COc1cnccc1N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 794338448 FNMQNVMYMDPQAT-UHFFFAOYSA-N 443.529 1.258 30 10 IDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 800778081 XVBOVCRGQFWYOS-UHFFFAOYSA-N 434.976 1.874 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCN(Cc3ccc(Cl)cc3)CC2)n1CCOC 812142578 NCLHUCKUDOGHSU-UHFFFAOYSA-N 440.979 1.969 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(Cc2cccc(C#N)c2)CC1 917138107 WFTVEFWVXRKZAD-UHFFFAOYSA-N 433.555 1.777 30 10 IDEE COc1ccc(OC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084326067 YQGSKZWYTKASSU-UHFFFAOYSA-N 445.505 1.763 30 10 IDEE COC[C@]1(C(=O)OC)CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1131501191 BOXWRNSXAYVIRF-JTSKRJEESA-N 442.472 1.334 30 10 IDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1144087014 NKWHFYYFKXRDPN-QVKFZJNVSA-N 433.530 1.697 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O 1161379588 LDAKTXYLDYRQPQ-CXMBCZLWSA-N 435.527 1.676 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1Cc2ccc(C#N)cc2C1 1163382683 OFRNGUSCVAVIEW-IBGZPJMESA-N 441.509 1.642 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CSC1 1171875668 JVXFSMUXZGENHV-UHFFFAOYSA-N 445.969 1.363 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1195946991 PKLSEXIHQWQHCX-IIAWOOMASA-N 448.486 1.848 30 10 IDEE CS(=O)(=O)CCn1cccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)c1=O 1202873961 HYPMDMXMRVGEOU-UHFFFAOYSA-N 443.529 1.555 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 1248581481 JMQLXEUIIVJWFC-ZDUSSCGKSA-N 433.361 1.669 30 10 IDEE CO[C@@H]1CCn2cc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)nc2C1 1264644726 CXPJKKDHTKCHCP-SAZKUCFMSA-N 431.518 1.909 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)CC 1286278838 HEMGCVXUNDYAGI-JMGYQRAPSA-N 437.591 1.422 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1286298023 ZOSNFHKSHVIIDK-LPHOPBHVSA-N 447.561 1.320 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1286382399 ROSURNJWIHXWRR-INIZCTEOSA-N 439.582 1.248 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286390283 ZYAALAWEMYAOQS-ZWKOTPCHSA-N 447.561 1.486 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(CS(C)(=O)=O)CC1 1286404734 XHXJVWQNFIMIEZ-UHFFFAOYSA-N 426.498 1.571 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)N2CCOCC2)CC1 1286484783 OLJHAGSWDGEEPQ-UHFFFAOYSA-N 440.596 1.006 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cc(CO)nn1 1286718068 WJLXKPQQEJOKMW-UHFFFAOYSA-N 435.330 1.842 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)COCCO2)C1 1286798028 GHDBRXFPPTWBJJ-IIBYNOLFSA-N 428.493 1.512 30 10 IDEE CC(C)(CN1CCCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1287093881 GGVCGKLQFPNKIU-UHFFFAOYSA-N 437.548 1.787 30 10 IDEE C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1291162373 PLFJFMGYBCFPHW-NYAYQYMKSA-N 441.536 1.628 30 10 IDEE CCOC(=O)CON=C(C(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1)c1cc[nH]n1 1298645091 GGBZSUQJKCRKME-UHFFFAOYSA-N 431.424 1.123 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1300419515 OEOAZJPQMHMFBF-UHFFFAOYSA-N 434.500 1.546 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)C)nc2)CC1 1300681426 OZRCCUATFXOWFQ-UHFFFAOYSA-N 425.537 1.402 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2sccc2C)CC1 1300683569 QKIBZAXYWBNVMT-MRXNPFEDSA-N 436.607 1.256 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2CCOC2)CC1 1300728634 CHGXITYSKUSPFR-IBGZPJMESA-N 439.564 1.532 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1300756799 UBEQACYBJAYPMA-HNNXBMFYSA-N 444.521 1.542 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1300779892 HVSUOZNRJSGLQN-QVKFZJNVSA-N 447.561 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CCOC)C1 1300871462 BZWFYXVHJDDDNZ-XDNAFOTISA-N 441.598 1.732 30 10 IDEE C=CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301231633 LNLNMJZZLHIYPX-SFHVURJKSA-N 438.532 1.587 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301516549 LTARTRDPCXYTRF-JFWRZSAESA-N 444.536 1.909 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCC2)C1 1301538663 JSQVESLDDOYHCD-CVEARBPZSA-N 426.587 1.154 30 10 IDEE CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1)N1CCOCC1 1302527865 FAHIXSJTIPIJIQ-NRFANRHFSA-N 440.548 1.922 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 1302925115 XHUGGOBEZVYSEL-ZDUSSCGKSA-N 446.342 1.694 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1303182528 ADTXBFVCCGRSJQ-UHFFFAOYSA-N 447.547 1.748 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)c(=O)nc1O 1305590756 SAJIVRGYGSTOBX-UHFFFAOYSA-N 430.346 1.722 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)ccc1OC 1353364414 MHLHBMUYAVPBNP-INIZCTEOSA-N 432.521 1.802 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cccc(OCC#N)c2)C1 1354078802 OWLWXHBWRXXPNC-JLTOFOAXSA-N 435.502 1.809 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1 1358877168 YJGROEPDKCYITM-HRAATJIYSA-N 447.561 1.459 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 1358910973 HGKVSTPMRJWRCW-UHFFFAOYSA-N 449.515 1.692 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358961082 RHOPFIPHIWNECN-KZNAEPCWSA-N 429.546 1.782 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cc(CO)nn1 1358968254 DWDIGEYDKPOQML-UHFFFAOYSA-N 446.515 1.394 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(=O)NCCc1ccccc1 1358997483 VAOPVPWWIYODGR-UHFFFAOYSA-N 432.528 1.222 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359039052 VNKXUICVNMJKNM-DVECYGJZSA-N 439.560 1.715 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)CC)CC1 1359043545 YEXXWKGUGGGDDU-HSZRJFAPSA-N 439.516 1.801 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2=CCCOC2)CC1 1359046830 HSHZHMYMQYZVKI-UHFFFAOYSA-N 437.548 1.452 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1359154222 IDCSZTYAYKXLFV-UHFFFAOYSA-N 442.907 1.885 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 1359227694 IUTYHVPNIDQZIL-BZSNNMDCSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(=O)OC)C1 1359296212 ARCMMMFFTVDEEL-OAHLLOKOSA-N 427.461 1.365 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359298118 NPSZEEJQHHSENY-GOSISDBHSA-N 425.537 1.191 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1359303754 ZUWLLLZJQGPSLB-UHFFFAOYSA-N 440.504 1.281 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359332576 BFFBTCAYLBQPHQ-IBGZPJMESA-N 439.626 1.626 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccc(C#N)cc4)CC3)C2=O)cc1 1438352546 YSDDAVDOROIXAG-DEOSSOPVSA-N 447.495 1.683 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)c(C#N)c2N)cc1 1445156222 MGJWJNAXOHSKCU-HZPDHXFCSA-N 448.449 1.998 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)[C@H](C#N)C1 1447482414 JFQDVPFNXXPWRH-DGCLKSJQSA-N 442.303 1.993 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ncn(C)c1Br 1456426164 IJKVQUMADXRYFS-NSHDSACASA-N 440.323 1.080 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1464719347 MPBDAKYBJCGOQQ-INIZCTEOSA-N 432.525 1.926 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C(=O)N(C)C)C3)nnc12 1472577907 CMRMLOSUPVHGHU-CQSZACIVSA-N 440.529 1.259 30 10 IDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 1474913859 BWFKTEMMMPRGQW-UHFFFAOYSA-N 429.498 1.793 30 10 IDEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)CCO2 1494665998 IJUVCTNNJXXZAJ-VGOFRKELSA-N 427.505 1.600 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1494727591 BMMDYILOVFEAPR-HNNXBMFYSA-N 425.493 1.408 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1495541469 WNRBABZRFMKFBE-DLFJBECYSA-N 437.504 1.981 30 10 IDEE CCOCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1503057489 DIOAJXCUYULDHI-UHFFFAOYSA-N 436.538 1.578 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1504781013 FDSJHIDLNMYUCU-INIZCTEOSA-N 434.504 1.833 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2COCCO2)c1 1507552302 OAAUERUHQALAFP-NRFANRHFSA-N 446.511 1.736 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1507660713 YHPNMDZWHGPKBG-RBUKOAKNSA-N 434.610 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2occc2C)CC1 1507735818 HTWQMQSZYUAWHH-KRWDZBQOSA-N 429.521 1.918 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507811296 PODYIXNJBULCNY-BZDHPDOMSA-N 433.553 1.612 30 10 IDEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507829292 VZYBVDSQXCWWBH-UHFFFAOYSA-N 440.548 1.511 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1508085835 JQVCBCIHXMXMTM-UHFFFAOYSA-N 426.521 1.236 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1508092703 GBIIYBGJPIDLHU-HDICACEKSA-N 429.477 1.120 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1508095075 SCKBNWGVXQFKPR-INIZCTEOSA-N 428.562 1.848 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSC(F)(F)F)C1 1508117606 UXOYEIVCJMELMI-VXGBXAGGSA-N 443.517 1.923 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1C(C)(C)C 1508149033 NTVLAORNYBBDPN-UHFFFAOYSA-N 440.614 1.807 30 10 IDEE CCN(CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1515599333 PBGKFFPFQGVDCD-KDOFPFPSSA-N 438.536 1.494 30 10 IDEE C#CC[C@H](COC)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1534144151 BSWYIQHUHKKREB-QVKFZJNVSA-N 426.510 1.489 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C#N)cn1CC 1536588927 FSWOGVZSDVWFBO-JOCHJYFZSA-N 437.456 1.962 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1539204726 CLLVYGNLYANXBG-MRXNPFEDSA-N 434.543 1.310 30 10 IDEE N#Cc1ccc(OCC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc1Br 1539209126 GBZALRVADKDTBQ-ZDUSSCGKSA-N 442.277 1.532 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539211831 PMYPMNMHJFYCIN-HNNXBMFYSA-N 444.586 1.978 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539213233 XIKCWGNSWUDILA-SFHVURJKSA-N 427.530 1.604 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539225346 NDJRKGKYFPQCKN-LJQANCHMSA-N 440.504 1.473 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539232065 ZBUIIYFZOJERMD-CEXWTWQISA-N 435.594 1.488 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539441111 KZVKOWGIWHHBLT-SBUREZEXSA-N 441.532 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N(C)C)CC1 1539490699 ZMFNZADKAYCCFL-QGZVFWFLSA-N 442.539 1.912 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539533682 SJQAPYFMIBCQLL-OKZBNKHCSA-N 435.594 1.864 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2oncc2C1 1540897658 OSPWFFTUNFRRDT-UHFFFAOYSA-N 443.489 1.077 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CCN1CCOC 1546731453 BGZWINFZVDWQET-IBGZPJMESA-N 435.536 1.541 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1552402357 KSBXELWCRRVRSK-MRXNPFEDSA-N 427.531 1.015 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1554162775 GYGALNVSYFRNRV-QGZVFWFLSA-N 430.472 1.712 30 10 IDEE CNC(=O)c1cccc(CCn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1 1554412440 GIDHHONYLAEZAV-UHFFFAOYSA-N 430.516 1.782 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1CCN(C(N)=O)C1 1556521539 DAPBHWDYRPAXLP-MAUKXSAKSA-N 427.505 1.909 30 10 IDEE C=CCCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1558380326 BPVUYUMKHRWBIQ-MRXNPFEDSA-N 440.518 1.344 30 10 IDEE COCCC[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Cl)cc1 1564733250 WYYCKYKHKCFGDI-OAHLLOKOSA-N 433.896 1.984 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1568898160 NOYOXJUCYHGNLH-NWDGAFQWSA-N 429.461 1.232 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnnn1-c1ccccc1Br 1585296718 MOTLZHBLUVISMN-ICFOKQHNSA-N 431.250 1.286 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1588046187 ZEWKLVQLOTXFTG-JKSUJKDBSA-N 434.493 1.126 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588058885 DXLCADIUJFYAJP-MRXNPFEDSA-N 436.607 1.896 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC(C)C)CC1 1588871954 SYQFPOBSPLNBNY-UHFFFAOYSA-N 428.512 1.666 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1594023079 COVQQBVRNOUPFK-XXBNENTESA-N 447.580 1.970 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1594720532 OMCJPELJSRTXOS-PMACEKPBSA-N 445.612 1.427 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1595218429 JYLNKRHPXKSHFI-CEXWTWQISA-N 437.610 1.858 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595386798 HGAROXXGZVQZQW-AWEZNQCLSA-N 436.538 1.300 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1595501498 WCSWAMAVKAHXAD-LJQANCHMSA-N 435.532 1.862 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)C1 1595730036 SIYRDTGEEICUSQ-QZTJIDSGSA-N 441.598 1.829 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595884773 SSWIRKHWIDWFTM-DLBZAZTESA-N 441.623 1.404 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)CC2)cc1 1603335712 IQXWUMWXOOZPIZ-SFTDATJTSA-N 446.573 1.017 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1611292451 NSGLEKNWSLEVJI-AWEZNQCLSA-N 435.506 1.473 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2c(c1)COC2 1611676824 DMGVQZLQCMZHFQ-AWEZNQCLSA-N 430.534 1.707 30 10 IDEE N#CC1(C[C@H](O)CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1 1615342443 ARVBAPGWHKLVMR-KRWDZBQOSA-N 435.546 1.599 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1620351521 AJIUBTOBWOFATK-SFHVURJKSA-N 445.545 1.372 30 10 IDEE CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1632880636 VPPLVARNLAFEPT-SELCWUDQSA-N 428.489 1.970 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)s1 1635224488 FDWAXXYUTDKULU-OAHLLOKOSA-N 440.591 1.551 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1637675053 KITVCJZOQJAFGL-IAGOWNOFSA-N 433.530 1.535 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1637885681 KKLFQFMPTXKUFG-IBGZPJMESA-N 440.525 1.750 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 1639311684 NVRURQBFDOQKQZ-WFASDCNBSA-N 431.436 1.270 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1=O 1641282787 UXJPSOAUXDDVKN-FQEVSTJZSA-N 438.871 1.433 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@](COC)(C(=O)OC(C)(C)C)C2)cc1 1643384613 XXNAXUQXFCTQNY-NRFANRHFSA-N 436.530 1.419 30 10 IDEE CS(=O)(=O)Nc1ccc(N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)cc1 1645178408 NMYALEHWBGJBAC-FQEVSTJZSA-N 430.530 1.492 30 10 IDEE C[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1656779054 QLRDKAPQOAOUFI-CQSZACIVSA-N 444.463 1.582 30 10 IDEE C#Cc1cccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 1674099771 OHNHMROBMPPPRV-UHFFFAOYSA-N 427.530 1.014 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(Cc2ccccc2F)no1 1676019862 GIEBARQRQPZJCY-AWEZNQCLSA-N 436.451 1.881 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 1682351839 BTZHNIWNIGDXTN-KRWDZBQOSA-N 428.470 1.985 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1689847354 YAFWTMGYJGJDHH-GOSISDBHSA-N 430.516 1.542 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689920903 NKXSADIKBKVKEH-UHFFFAOYSA-N 443.939 1.580 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689979888 IVYYKWIACPAEIU-NZSAHSFTSA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1689998545 OZTVFYTWGYAPLS-JKSUJKDBSA-N 434.522 1.081 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)n1 1690107963 JVXYVLIVGKFGRY-UHFFFAOYSA-N 449.559 1.954 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690299431 RAULCYGEZIIKCO-OAQYLSRUSA-N 427.509 1.481 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(=O)(=O)NC)CC1 1690362838 RJGLCKJAUYIOGT-UHFFFAOYSA-N 432.550 1.853 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1690669664 LSQCTTJPVCNQJP-RBUKOAKNSA-N 437.548 1.637 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690672035 GEQQTBGYLRQPJL-PKOBYXMFSA-N 445.612 1.158 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1690677974 GPYCIJBAGJHWQI-DLBZAZTESA-N 426.525 1.327 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNS(C)(=O)=O)C1 1690710316 QQVQKPFSHVFVLH-GOSISDBHSA-N 444.561 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C(N)=O)C1 1690720548 LXAXABOTTCMKJQ-MRXNPFEDSA-N 440.529 1.406 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690740176 LLTURDZCIHRMAW-OAHLLOKOSA-N 439.611 1.363 30 10 IDEE C[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1693795464 JSBZPVXACPXDGW-AOMYARPXSA-N 427.509 1.129 30 10 IDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O)N1CCCC1 1694374274 AHOAXINWYZPJGX-IBGZPJMESA-N 445.593 1.677 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccccc2OC)nnc1N1CCC(C#N)CC1 1696505028 GBTWMORCHZHWQP-UHFFFAOYSA-N 448.549 1.545 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1705561523 UQXPIINVZCTPQY-RCCFBDPRSA-N 440.566 1.055 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1705567779 ZLZCKJKUHODMNQ-AEFFLSMTSA-N 449.602 1.806 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1705571142 WFXOUWVZVBHNFR-KRWDZBQOSA-N 430.530 1.029 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1705638041 VZRRXWHGBCANON-LJQANCHMSA-N 442.568 1.595 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)CC1 1705639588 RQSHLKQVQMYIFH-HXUWFJFHSA-N 427.574 1.487 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CC)C1 1705938404 XIXLSKHKYNNLTI-SFHVURJKSA-N 445.545 1.945 30 10 IDEE C=CCSCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705946490 JIIWRUWUIFIJEN-UHFFFAOYSA-N 439.611 1.313 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1711153132 JPJKMHOIACYOOY-LZICOFPGSA-N 425.493 1.662 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722366188 GJFSCEYHEIHRFK-RTBURBONSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1722389894 NMRJHJOYMITERM-INIZCTEOSA-N 443.529 1.171 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1722551511 ACGJTDYUQZRUCL-KGLIPLIRSA-N 440.932 1.651 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1722692215 IRVRBOXEPBHDCD-UHFFFAOYSA-N 433.516 1.857 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1722706731 XLLIXVYHPCOYKI-LJQANCHMSA-N 442.545 1.915 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(C(=O)OC)CC2)C1 1722720012 DYHCTZXPIXQADA-SFHVURJKSA-N 446.552 1.660 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1722729164 XILAHLBDTAXMAV-SJORKVTESA-N 448.545 1.659 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1723650878 JYVIIQRQDAVHHH-SFHVURJKSA-N 448.531 1.981 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1723780490 RPGLIGILTOVDHF-LSDHHAIUSA-N 428.534 1.632 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740575616 PNAIKDAUGVFDBZ-OALUTQOASA-N 428.581 1.765 30 10 IDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1740618288 GBNUPNNAEYEUJQ-INIZCTEOSA-N 441.513 1.454 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740627864 SXUWOPRQWLRUOD-QZTJIDSGSA-N 432.550 1.123 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740630511 IYONPMMXDDZMHK-WFXMLNOXSA-N 434.610 1.472 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCS(C)(=O)=O)CC1 1740691791 DICCYVQQTDHINK-UHFFFAOYSA-N 438.557 1.683 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2nnc(C)s2)CC1 1740707144 QPIHFJFDPKDAPE-UHFFFAOYSA-N 436.545 1.438 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCN(C)C1 1740773212 WNWPQBQSTPWLOG-NRFANRHFSA-N 447.609 1.707 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740867868 YGICTRVVKRUKHJ-GOSISDBHSA-N 431.585 1.517 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740900713 WXYFTTWHJFQQRP-MIALQEHNSA-N 439.582 1.174 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740957556 RTSLZSFCCDQHSE-MRXNPFEDSA-N 426.525 1.158 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CSCCS2)C1 1740973516 YUMJEKBFGIAMQF-KFWWJZLASA-N 447.652 1.518 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740990050 GYKKXHITLQBTHA-KRWDZBQOSA-N 448.593 1.564 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1741876433 DEAQTNXBUDHNOQ-HXOBKFHXSA-N 437.548 1.487 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C2CCC2)C1 1741987907 JVBMCUMOTYSDND-QFIPXVFZSA-N 427.553 1.837 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1748771964 QPWVSWLPFQYFDQ-FGZHOGPDSA-N 449.621 1.596 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748810672 ZIBFTCBTFXFXFV-UYAOXDASSA-N 442.541 1.926 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1748864110 QAAOAUYDZZFSJB-UEXGIBASSA-N 449.577 1.079 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749050306 YIRSFNRUBXMEKD-QGZVFWFLSA-N 441.623 1.746 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749217952 DONGTLLOOGCVGZ-UHFFFAOYSA-N 437.548 1.620 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC(=O)N2)CC1 1749293559 QKIFZDRFKMINRQ-QGZVFWFLSA-N 444.561 1.630 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749677190 QTGACTHJAJHACD-IBGZPJMESA-N 443.552 1.080 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1750059822 CHEZOSNFAFCWCL-BBWFWOEESA-N 439.630 1.995 30 10 IDEE COCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750108936 VQQQHYLJSWYWQN-SFHVURJKSA-N 427.509 1.038 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1751281688 FICQBOWUYNVRRF-SFTDATJTSA-N 442.545 1.298 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(CC)CC)n2CC2(O)CC2)c1 1760126668 FRUFNFBSMDDJKB-UHFFFAOYSA-N 438.532 1.778 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCS1(=O)=O 1760198247 BNKABDQMNWCGRM-UHFFFAOYSA-N 435.912 1.846 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1760253329 DLMHVZLZHAFRDO-UHFFFAOYSA-N 429.590 1.924 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOCC2CCOCC2)CC1 1760262680 WMHQRCBSCNFVKV-UHFFFAOYSA-N 438.576 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(N(C)C)CCSC2)CC1 1760273135 JLACHHSDPXYWNE-GCJKJVERSA-N 446.621 1.533 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C)C1 1760279400 BSCXGFMIFPOKGA-OAHLLOKOSA-N 434.591 1.830 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1760336843 KHKHRFRAABWSKF-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1760358774 ZAIFTDNRIFMHQV-ZWKOTPCHSA-N 442.582 1.403 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1760527082 MLFLOVWBAUWQAL-UHFFFAOYSA-N 442.442 1.051 30 10 IDEE CC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765109332 RTOQKVNQHRVRGW-QFPXGYFVSA-N 429.525 1.569 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)C1 1769160236 YATQYEAMCIRYFC-JOCHJYFZSA-N 426.521 1.832 30 10 IDEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1769714678 UYZZIQCWGQOHAS-INIZCTEOSA-N 447.565 1.123 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1769899270 BULQGVKKICEJSP-UHFFFAOYSA-N 449.515 1.495 30 10 IDEE COCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1770166665 PTEKVVCUQOOGKO-UHFFFAOYSA-N 444.584 1.770 30 10 IDEE COCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1770708942 CVCCRCLMMFOQJK-UHFFFAOYSA-N 435.536 1.944 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1771366579 UXOWIWULDGBUDX-KRWDZBQOSA-N 426.905 1.980 30 10 IDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C)[C@H]1CCN(C)C1=O 1849196815 GWZYXTGZPIRQSG-DLBZAZTESA-N 427.954 1.888 30 10 IDEE COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(C#N)cn4)CC3)nn(C)c2=O)cc1 1851379445 CDUWRZAWCOULLI-UHFFFAOYSA-N 432.484 1.925 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(CCCS(C)(=O)=O)CC2)c2ccccc21 1852369554 BPJZNVMXOVWBRO-UHFFFAOYSA-N 448.589 1.653 30 10 IDEE CN(C(=O)c1ccc(CN2CCOCC2)cc1)c1snc(N2CCOCC2)c1C#N 1852376796 UXTVSKIENVOORH-UHFFFAOYSA-N 427.530 1.960 30 10 IDEE C#CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1CCOC)[C@@H]1CCc2ccccc21 1852660281 ZIPGLZVAEFQOLP-LJQANCHMSA-N 434.496 1.448 30 10 IDEE CN([C@@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccc(C#N)cc1 1855336711 IETJIQHDDRCMFV-QGZVFWFLSA-N 425.466 1.697 30 10 IDEE CC(C)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855723652 OJCAJQQSXPTOLZ-SJLPKXTDSA-N 432.546 1.569 30 10 IDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)[C@H](C)C3=O)cc2)CC1 1856197470 RIMUDMSACIIHCB-QGZVFWFLSA-N 432.546 1.694 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1=O 1856805424 PUVUIMVPQKGFIS-NEPJUHHUSA-N 432.857 1.361 30 10 IDEE Cc1cc(C#N)nc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2)n1 1857968945 DSXRGFMQRFCGFY-UHFFFAOYSA-N 428.518 1.178 30 10 IDEE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(C#N)cc1 1867191353 QJDGXINCECHAOA-GOSISDBHSA-N 448.435 1.909 30 10 IDEE C=CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870383339 FXWZCJMHNPKMBC-UHFFFAOYSA-N 446.548 1.700 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1[N+](=O)[O-] 1874429974 LRZOIRBMFLKJFV-KEBDBYFISA-N 433.494 1.665 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)CC1 1889406161 HGAYITRJAQAXDB-UHFFFAOYSA-N 439.560 1.088 30 10 IDEE C[C@@H](C#CC(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902007835 URGTVYABBYUJHY-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE C=C(CNC(=O)C(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2020861668 FFGVEKVXKOVPLC-UHFFFAOYSA-N 432.273 1.907 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1O 2224103421 URRYTVXJQSXURT-USXIJHARSA-N 433.358 1.879 30 10 IDEE Cc1cnc(OC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224121408 QGLKJWCSHDUYCP-UHFFFAOYSA-N 433.314 1.543 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835642 ODTMRVBKXHXUGN-CHWSQXEVSA-N 439.343 1.464 30 10 IDEE Cn1nc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247912696 KXVHRFGYGJEPTR-QWRGUYRKSA-N 440.737 1.768 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255624477 ZAKFGNPMFZDJBV-ZFWWWQNUSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2255697709 CXJBWISXQRPPSF-JKSUJKDBSA-N 433.314 1.091 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255816067 YOFILHVJOVSJFD-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2255821223 BUHGEHRQQZRNHP-CABCVRRESA-N 432.330 1.553 30 10 IDEE Cc1ccnc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255829980 YFWRKGNGFRCAQT-UHFFFAOYSA-N 433.314 1.970 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]12CCN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255835266 UFMUYXJMGSDAHK-OAQYLSRUSA-N 432.330 1.934 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2255857813 KOAOWJZUEMWUBB-NCOXYXGASA-N 440.346 1.316 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063068 UNUHHLBTNXDGKE-CQSZACIVSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256615319 UCSXBZGFJLPURS-HNNXBMFYSA-N 433.314 1.955 30 10 IDEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CC1 2267113194 QFEXFBCISCJSKD-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267495402 LSJFDOWNNVBFCT-IMJJTQAJSA-N 448.325 1.943 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267528570 FUBDVHUIVPNABG-RXSFTSLZSA-N 448.329 1.263 30 10 IDEE CSC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284405210 HXLLBGFBAGOTHV-SECBINFHSA-N 441.789 1.795 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)n1C 2315629444 IJEUUANZXBDSGA-ZDUSSCGKSA-N 436.362 1.918 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)n1C 2337327807 JLUYJSMRHNWNDP-UHFFFAOYSA-N 449.361 1.225 30 10 IDEE C#CCN1CCN(S(=O)(=O)c2c(N)cc(Br)cc2Br)CC1 40334919 XQHYOGCRMLVVIQ-UHFFFAOYSA-N 437.157 1.733 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1c(F)cccc1Cl 72443767 WPFARNSLLXALJI-ZWNOBZJWSA-N 444.854 1.488 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)cc1 109934360 BICHOSNDEDSDDA-GOSISDBHSA-N 449.492 1.870 30 10 IDEE COc1ccc(C(=O)/C=C2\N=c3ccc(C(=O)NCc4ccncc4)cc3=NC2=O)cc1 211038750 YRODUCXFVRUNBB-BKUYFWCQSA-N 426.432 1.566 30 10 IDEE C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2CO[C@@]4(OC)C=C(OC)C(=O)C=C4[C@]2(O)C3=O)O1 253370298 PALZWWLQIUCKJJ-IUEYZOOKSA-N 426.421 1.653 30 10 IDEE biogenic C=CCn1c(=C2C(=O)N(CC)C(=S)N2C)sc(=C2SC(C)=C(C)N2CC)c1=O 254506133 LHGFMGXNMYBMHU-UHFFFAOYSA-N 436.628 1.669 30 10 IDEE C[C@H](C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)n1cnc(C#N)n1 409611695 JJQHHTURRNNTTI-LLVKDONJSA-N 428.927 1.349 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 409786440 IRIYROCGKVJGPP-BXUZGUMPSA-N 436.353 1.317 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 508850907 WVGGWTVEQVLBDX-ZDUSSCGKSA-N 436.538 1.375 30 10 IDEE CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 509941049 DHYBAEHTTXWFKF-UHFFFAOYSA-N 430.486 1.649 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CC(F)(F)F)C(=O)C2)CC1 512793902 VWWWDUYNKJSGQS-QGZVFWFLSA-N 441.429 1.241 30 10 IDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1(C#N)CCN(C)CC1 531269453 ZCESIJHOLTXMBT-CYBMUJFWSA-N 428.352 1.963 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 540338234 MOLHGNZQYITRLL-JOCHJYFZSA-N 425.577 1.374 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCO2)CC1 549892606 PPAMWEVLHQEJNU-QGZVFWFLSA-N 428.512 1.687 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 553809675 CTAIIWCFCXKEIE-QGZVFWFLSA-N 435.550 1.100 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 555252106 HQVULLFBBNNBSU-MSOLQXFVSA-N 434.566 1.475 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(O)nc3ccc(Br)cc23)CC1 606346996 GNJWCDHBWOMNFL-UHFFFAOYSA-N 433.306 1.763 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C#N)nc3)CC2)cc1OC 609788723 FUDKVSYFGMPWHW-UHFFFAOYSA-N 430.486 1.554 30 10 IDEE Cc1nc(CN2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)n[nH]1 609849177 LGGJZYGVWYEKDO-UHFFFAOYSA-N 436.520 1.801 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 610002377 FJQSAWZCOBPLEM-JZGPVCMCSA-N 445.608 1.742 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 623009070 WNROAXBGIBMOCE-UHFFFAOYSA-N 441.528 1.253 30 10 IDEE C#CCN(C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)[C@H]1CCS(=O)(=O)C1 729334071 HVKBZTQLKSGMTF-UONOGXRCSA-N 439.331 1.451 30 10 IDEE COc1ccc(N2CCN(CCCNc3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 731901713 JNZBGFBVHFJLLN-UHFFFAOYSA-N 429.546 1.838 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3cnn(CC)c3)c2=O)cn1 735068117 DLZYAUCGFFUXGO-UHFFFAOYSA-N 438.557 1.840 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 741204497 JMFHKKQHMUHIMD-UHFFFAOYSA-N 442.501 1.567 30 10 IDEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742408611 MDTDBAKSQDFGTL-INIZCTEOSA-N 442.541 1.884 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 745814467 ZVBCBDWPPQOKJS-JFVSRZABSA-N 445.442 1.345 30 10 IDEE N#CCn1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)cn1 747436784 SMMMWEXYGJODMD-OAHLLOKOSA-N 438.307 1.961 30 10 IDEE C#CCN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@@H]1CCS(=O)(=O)C1 751275738 XEFZTLVLZSIJKS-LLVKDONJSA-N 434.333 1.115 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 755835902 CKXGRKYZFHVXFS-HNENSFHCSA-N 425.420 1.684 30 10 IDEE C#CCN(C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)[C@@H]1CCS(=O)(=O)C1 757905021 PDACYLPZRMUMLO-GOSISDBHSA-N 427.526 1.806 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1Cc1ccccc1 760379684 XYLQGFVQAAOTLT-UHFFFAOYSA-N 436.562 1.931 30 10 IDEE C#CCN(C(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774241130 OZAXBAVMXOIJKL-BZUAXINKSA-N 443.566 1.579 30 10 IDEE C#CCN1CCC(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)C2CCN(CC#C)CC2)CC1 775785018 XBNMYJWKDCUEHO-DNQXCXABSA-N 440.632 1.905 30 10 IDEE Cn1nnc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccc(F)cc2)n1 782883834 KUFBDANFRWFIGO-CYBMUJFWSA-N 441.452 1.300 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccsc1 783065130 WJKUSKRHTYJYTG-DMDPSCGWSA-N 440.547 1.272 30 10 IDEE N#CCOc1ccc(Cl)cc1COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 786995843 JXVRQPUTDRXAIU-IBGZPJMESA-N 435.908 1.999 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)n1 788615798 ZZJRILJQXUUIFD-UHFFFAOYSA-N 445.545 1.946 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 788905522 PGPVBWCUOGJPTG-NRFANRHFSA-N 439.516 1.992 30 10 IDEE NC(=NOCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccco1 789628167 UQGVUTDEXFIETD-UHFFFAOYSA-N 442.881 1.230 30 10 IDEE COc1cc(C)c(CN2CCN(C(=O)COC(=O)c3ccnc(C#N)c3)CC2)cc1OC 795967591 OMIJNXRIFWLKGN-UHFFFAOYSA-N 438.484 1.780 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 802593616 MBGBYUREMWNCNP-IBGZPJMESA-N 442.520 1.622 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1C[C@H]1CCCO1 802689127 KGYBDTDPWVBXEM-GOSISDBHSA-N 429.546 1.978 30 10 IDEE C[C@H](OCC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)c1nccn1C 805861732 UXKDKNRULOTKKB-WMZOPIPTSA-N 435.488 1.791 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 809929664 YEZKSNTYWUFNLI-LSDHHAIUSA-N 443.570 1.642 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 812178241 BKLVRHPSMMWLJJ-QGZVFWFLSA-N 446.552 1.974 30 10 IDEE C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 858007009 WUACYDDKSOGMPD-SNVBAGLBSA-N 426.458 1.122 30 10 IDEE Cc1nn(C)c(C)c1CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 914767627 MZPUXPRUUZPKDE-SFHVURJKSA-N 431.562 1.849 30 10 IDEE CNC(=O)[C@@H](C)N/C(C)=C1\C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O 1075997258 GWKLBGJICWVQTP-OPRLQALYSA-N 428.441 1.293 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1 1083945369 AKOCFJHOCDVSPX-UHFFFAOYSA-N 432.485 1.926 30 10 IDEE O=Cc1cnc2c(Br)cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn12 1144429195 OEGQEBJTPLCXQJ-SAPNQHFASA-N 432.234 1.166 30 10 IDEE COc1nsc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1Br 1154386373 FBGCHHLWXWEXOI-UHFFFAOYSA-N 425.312 1.790 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 1171510273 FQMWNMAGPFYUQG-GOSISDBHSA-N 443.485 1.482 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)C2=O)cc1 1226111451 JCWQJGADVGKLBV-OALUTQOASA-N 430.530 1.662 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)c1 1277745249 CXNYCSFALONIKV-QFIPXVFZSA-N 448.502 1.898 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1286419942 IHGGGNCKSPHPBY-GOSISDBHSA-N 435.528 1.799 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[S@@](=O)C(C)(C)C)CC1 1286469488 HISFUEZXGNYMLI-SSEXGKCCSA-N 436.626 1.499 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCN(C)C2)CC1 1286474152 CNRWALZGMPEODC-NRFANRHFSA-N 432.931 1.559 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2([S@](C)=O)CC2)CC1 1286487923 RUFSJCDALZUNHU-PMERELPUSA-N 429.546 1.723 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(C)CCCS2)CC1 1286490685 OVRPJPQRBMJOLY-IERDGZPVSA-N 430.578 1.481 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1CC 1286508685 KLHBGGKKBBHDSG-IKGGRYGDSA-N 441.623 1.602 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1286514294 CUADUNJBPBVMGC-OAQYLSRUSA-N 444.561 1.365 30 10 IDEE C=C(C)COCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286603408 RPHORKKRIVTZNP-IBGZPJMESA-N 438.532 1.247 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286693584 VGLAJWOPCIGORF-OAHLLOKOSA-N 433.538 1.410 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1286752139 RULBZDXOGXYNPQ-UHFFFAOYSA-N 425.537 1.875 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286781352 QXQSPBZIRKYUGP-UHFFFAOYSA-N 446.943 1.094 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286815434 VBNMEWOXQDGQEG-INIZCTEOSA-N 447.517 1.195 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1286893765 GYVPHCNNWSHAHI-CQSZACIVSA-N 445.549 1.635 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286949681 MZMKABLNWNQYNC-GOSISDBHSA-N 430.534 1.356 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1288078419 MRDZZUOTAWRUHX-IAOFPLEJSA-N 447.565 1.273 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2ccc(OCC#N)cc2)C1=O 1292738129 XPXFAZNLDQICLJ-SFHVURJKSA-N 430.505 1.968 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)CC1 1292889957 RKTOZIUCVAEWFQ-SJORKVTESA-N 434.491 1.181 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1297558390 SBDFOMSJEXTCGL-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC(F)(F)C1 1300465043 JXAFLFQJXDIWAU-CVEARBPZSA-N 445.536 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N(C)C2CC2)CC1 1300726726 OJPLLRKPIJFAPH-SFHVURJKSA-N 435.576 1.712 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1300843698 DTKOFCJTAOCAJO-LSDHHAIUSA-N 439.358 1.296 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1300849537 QVDQECDTOZSMLQ-CRAIPNDOSA-N 426.359 1.992 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1300898508 YHBQNHULKUXVCR-CROMWVBPSA-N 447.580 1.874 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301475832 ZWJLLLVMTYGAJL-JOCHJYFZSA-N 442.495 1.053 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1nccs1 1301499650 CXVXICQJPJQUKE-KGLIPLIRSA-N 438.579 1.179 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1301608255 YNLFLKJGAXYQPE-QFIPXVFZSA-N 425.537 1.487 30 10 IDEE COCCOCc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1316248484 HEYKDXBVVILHNV-AVRDEDQJSA-N 442.495 1.882 30 10 IDEE C#CCN(C(=O)c1cnn(Cc2ccccc2)c1Br)[C@@H]1CCS(=O)(=O)C1 1352905202 NNCZWBSSQWNBAQ-OAHLLOKOSA-N 436.331 1.956 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358888520 NVRSOBLCCHLVLT-OKYOBFRVSA-N 435.594 1.834 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1358896073 WSBHBWJBTJAKRT-GJZGRUSLSA-N 428.459 1.122 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@H]1C 1358930145 PGQYIYMCAGILTL-OAGGEKHMSA-N 427.596 1.355 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358965807 BLLWXLKREQHLGX-CMKODMSKSA-N 433.622 1.978 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1358966287 LOYNLKTYMXLPNR-RTBURBONSA-N 433.578 1.116 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1359024187 GWWGVDCYQPDCHM-KRWDZBQOSA-N 442.545 1.157 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCN2CC)CC1 1359044744 NLXUDZQONLTMOD-WOJBJXKFSA-N 428.581 1.622 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359061161 TXBKOHDFQUIQAX-HKUYNNGSSA-N 436.541 1.810 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359299465 GCQXFLFDLMEKDE-UHFFFAOYSA-N 430.538 1.554 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1359426404 GIUZCCWFSUOOJJ-OAQYLSRUSA-N 426.546 1.790 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1360797333 OKBNXHBPPFEXPC-OEAGWNGGSA-N 441.536 1.239 30 10 IDEE COCCOCCc1ncc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)[nH]1 1452958867 WOPVUBWCANDPGH-UHFFFAOYSA-N 449.515 1.839 30 10 IDEE COC(=O)[C@@]1(N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)CCOC1 1453685445 HJNIQJDBCFTWDZ-HSZRJFAPSA-N 442.516 1.190 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1 1460188654 QRGZNFIHCRAGAS-JOCHJYFZSA-N 428.510 1.770 30 10 IDEE N#Cc1ccc(N2CC[C@@H](N3CCn4ncc(I)c4C3)C2=O)cc1 1460823400 JPLYPROUZMNYNF-OAHLLOKOSA-N 433.253 1.980 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1471536537 YDYVOZYRPISNON-MRXNPFEDSA-N 432.546 1.599 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2c(Br)ccc(OC)c2F)CC1 1475233673 NWSILFZPWCVMIW-UHFFFAOYSA-N 433.299 1.747 30 10 IDEE COCCOC1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 1478420427 WDHXFQGUNCFYQW-IBGZPJMESA-N 430.505 1.565 30 10 IDEE CCCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1501040112 FBNHATSXCTWEFW-RLFYNMQTSA-N 427.550 1.205 30 10 IDEE CCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1503210904 JYLUTQXBUUYCAO-CVEARBPZSA-N 436.513 1.352 30 10 IDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1503591704 YYGXBWURXSDVMZ-SFHVURJKSA-N 446.577 1.697 30 10 IDEE COc1cc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)CC#N)ccc1OCCO 1504089476 CXLFQKLUBPEIHO-OAHLLOKOSA-N 425.493 1.845 30 10 IDEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1504633485 BRURJAMMTNJQHR-HZPDHXFCSA-N 425.555 1.219 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1O 1505268587 WDRQXIJEMQXIIN-QAPCUYQASA-N 429.546 1.849 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)COCc2ccccc2)CC1 1507723590 NSVYDIVGPXMLAA-CTNGQTDRSA-N 436.560 1.837 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507753219 CZPOLJSXZRHFMV-SJLPKXTDSA-N 433.578 1.618 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)N(C)C)C1 1508116106 IAJBSURCOJQEII-MRXNPFEDSA-N 445.520 1.840 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(F)F 1519445820 GFKWROKYKZDKTO-XIRDDKMYSA-N 440.495 1.808 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1=O 1521185699 PZZQZHUMEYSKJB-UHFFFAOYSA-N 434.456 1.957 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1524477507 QQDLGEYALVZPGF-HYBUGGRVSA-N 441.528 1.791 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1527645811 VWNOMYIKDUDRPR-QHCPKHFHSA-N 447.451 1.628 30 10 IDEE COc1ncc(NC(=O)c2cc(I)ccc2-n2cnnn2)cc1C#N 1538310754 ICUVGMDBOJPVBW-UHFFFAOYSA-N 447.196 1.794 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1539072333 PMEIDZYDCLDRFD-SFHVURJKSA-N 447.605 1.965 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1539155207 UVKVTYORIQCZSB-QFIPXVFZSA-N 429.496 1.877 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539216456 SFSFNSFLRZGROH-TXPKVOOTSA-N 446.577 1.509 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(N2CCOCC2)CC1 1539417701 QLOXSCCREAGWGE-UHFFFAOYSA-N 427.524 1.959 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539429890 DROYRJBUNAURFI-IBGZPJMESA-N 446.596 1.406 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540864780 KKOJOVPYEWEUQX-UHFFFAOYSA-N 438.532 1.751 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1540868434 FQOJUFSSDVNLJE-UHFFFAOYSA-N 425.537 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1540897173 CHWYGSGTNPGOCT-HUUCEWRRSA-N 430.534 1.761 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1540917411 VVOQKPDWXSBTCH-AWEZNQCLSA-N 435.566 1.487 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2coc(CS(C)(=O)=O)n2)c1 1541080048 CBRQBBXLBSJVSB-HKWRFOASSA-N 440.503 1.284 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1541259390 WORSRPSNTKQUTP-UHFFFAOYSA-N 439.520 1.722 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CC=CCC1 1541675415 KSODPHPSEAKKPY-UHFFFAOYSA-N 449.563 1.271 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1544567201 CQBJUPZILUMEIE-JGWKNBOWSA-N 429.525 1.060 30 10 IDEE Cn1ncc2c1CC(C)(C)CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1557711985 VEFZVXQSLSENQW-UHFFFAOYSA-N 429.546 1.850 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)Cc1ccccc1F 1558385888 PWMCVEMOUROEOQ-APWZRJJASA-N 447.532 1.999 30 10 IDEE O=C([C@H]1CCCN(CC(F)(F)F)C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1559033450 IWLZYAAPMJHIKY-AWEZNQCLSA-N 427.379 1.691 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 1566977415 JBUBIGQPRHNHAB-KBPBESRZSA-N 433.933 1.842 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](Cc3ccccc3)C(N)=O)C2)C1 1583479407 XVRYCNSXSAHQKG-POTGORPSSA-N 426.517 1.986 30 10 IDEE CCS(=O)(=O)NCCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1583985787 ZOUOHHOWGBWGOQ-HVEKOLDVSA-N 428.555 1.219 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1=O 1586115935 SIHKJJZMIJZZLX-CHWSQXEVSA-N 431.967 1.800 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(C)COCCO2)c1 1587689308 FSQJNAGAJHBHBF-HSZRJFAPSA-N 447.499 1.597 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1588113489 MREHQZPIYOXOES-UHFFFAOYSA-N 440.525 1.756 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1588224090 OZDFSMMSONYCGZ-FCHUYYIVSA-N 446.555 1.307 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1588877320 ZNMOACRPKXIVNS-CGXNFDGLSA-N 431.581 1.963 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](COCCOC)C1 1589529959 QWLQKZKJJLZESE-MLYOOKFZSA-N 433.553 1.700 30 10 IDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1593775663 BBWBYIPFUVHAKP-UHFFFAOYSA-N 438.532 1.523 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCCO)CC1 1594097306 QJYFORQUOGTFQH-QGZVFWFLSA-N 427.571 1.320 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCC1 1595266911 MZEHBTNSKNZKAT-UHFFFAOYSA-N 425.555 1.120 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1C(C)(C)C 1595602571 NZHSRCROZYEISZ-OAHLLOKOSA-N 428.541 1.275 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1616144371 ABPVXMWJYYQJKT-MIZPHKNDSA-N 441.532 1.978 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](C)[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1616196926 VMROOBXKZWDCMF-VTQSNPEPSA-N 444.536 1.691 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@@H](CCO)CC2)CC1 1618637245 IANNVDKOFMJQGR-QGZVFWFLSA-N 427.505 1.939 30 10 IDEE C#CCCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1622332886 ZNVIBXNCAHORAZ-STQMWFEESA-N 426.457 1.583 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)C[C@@H](C)O1 1625479767 HSRWPCYUVBSZLW-GASCZTMLSA-N 442.488 1.148 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 1627851091 FDECEANWKZWSKZ-WFASDCNBSA-N 433.452 1.823 30 10 IDEE CNC(=O)NC[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 1629587734 PLKKFTOMTNVONY-HNNXBMFYSA-N 442.476 1.179 30 10 IDEE COCCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1631259874 DDSXVIGJOKGHAB-JKSUJKDBSA-N 431.555 1.626 30 10 IDEE Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1632819524 RCGTWKNQLDZEAB-JJCDCTGGSA-N 434.562 1.703 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)CCn3cc(C#N)c(O)nc3=O)C(C)(C)[C@H]21 1634836976 GUJJWDMXERVQJK-PVAVHDDUSA-N 445.520 1.751 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)ncc2Br)CC1 1634876597 WCJBHLFRJBADDC-UHFFFAOYSA-N 444.127 1.114 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1641804291 QUBTVIRHQHTWHW-UHFFFAOYSA-N 442.263 1.514 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1643778387 OMOLCVOHPRFJIR-FQEVSTJZSA-N 442.541 1.162 30 10 IDEE C[C@@](O)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(F)c(Br)c1 1645998006 XLFINKUZFJUIIS-KNXALSJPSA-N 431.283 1.192 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CCO2)cc1 1647997598 CSHVQDIKFNRJPF-FQEVSTJZSA-N 427.482 1.467 30 10 IDEE C#CC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CCC)C1 1648355687 UMEHFSZYJGCESF-UHFFFAOYSA-N 446.573 1.616 30 10 IDEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1c1cnccn1 1648664671 DMZPZXQADRNYBG-WIYYLYMNSA-N 437.523 1.535 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1648858642 ISVPCSGZCLSGHA-ZDUSSCGKSA-N 426.495 1.140 30 10 IDEE N#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1659395196 RCCKWQUNAQVFJK-INIZCTEOSA-N 435.506 1.053 30 10 IDEE C#CC1(O)CCN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 1666873880 ODFDQOGWIFHOBO-UHFFFAOYSA-N 448.527 1.360 30 10 IDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1669196436 QCMQZUPGWIEBAK-YESZJQIVSA-N 430.592 1.959 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)CC1 1669528639 AYFDMRIFRXBZMZ-UHFFFAOYSA-N 425.507 1.002 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1689924733 RNLZDJNGMGWKNN-RXVVDRJESA-N 436.564 1.527 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1689986095 INDAWCBJESXMTG-MRXNPFEDSA-N 428.493 1.493 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(-n2cncn2)c1 1690003356 LEGIGQWGDUFQLT-QHCPKHFHSA-N 431.500 1.632 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1690011736 AYDLIONIQNKKFK-NRFANRHFSA-N 443.511 1.917 30 10 IDEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1690408708 UEPZFDFARQSUPG-UHFFFAOYSA-N 443.533 1.850 30 10 IDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1692876216 DDDPNTLFVRCOHX-KBXCAEBGSA-N 426.518 1.243 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C[C@H](C)N(C)C)n1 1693194800 APNKPRPIGMOBBB-KRWDZBQOSA-N 448.579 1.839 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCc2cnn(C)c2)CC1 1705642928 MQUUWQGQPNUSKL-UHFFFAOYSA-N 449.559 1.987 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2cccn2)CC1 1705651075 IKLVSLWOUOTLPM-UHFFFAOYSA-N 449.563 1.392 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1705651661 FIQCJZRPJDKNAJ-HNNXBMFYSA-N 432.575 1.763 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC)CC1 1705700470 UCNXJDZUAGBRKY-SJLPKXTDSA-N 427.509 1.995 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705722357 HTLHMSNVJPMGLK-OAQYLSRUSA-N 444.561 1.630 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@H](C)C1 1705937789 FEADFLPRKXUXBF-HUUCEWRRSA-N 437.591 1.963 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCn2ccnc2C1 1706864979 SZDIIHRJEIVMSJ-ZBFHGGJFSA-N 432.554 1.087 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1712703295 XCTLXGZKGONPEG-QGZVFWFLSA-N 444.561 1.715 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1722454242 KKLUWNNXSIGLRO-OAQYLSRUSA-N 427.530 1.784 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722629184 HLXZAFJDIJKQIG-WOJBJXKFSA-N 446.596 1.508 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722699040 QQGKMQUADZKGTH-UHFFFAOYSA-N 439.564 1.594 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722726993 HPFVMIDZEYZGEF-RZQQEMMASA-N 435.550 1.647 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C1CCC1 1722727724 KUHYUKIWRUFPSR-SJORKVTESA-N 442.607 1.550 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1723676399 JCNJOHRBJDJGDJ-OAQYLSRUSA-N 428.493 1.533 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1729198662 DTXNFXCMFBTKHD-UHFFFAOYSA-N 433.534 1.515 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1730486019 YRTHALKNJMQBLB-SFHVURJKSA-N 429.500 1.011 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)cc(OC)c2)CC1 1740688394 FPTSTURAZDQSNY-UHFFFAOYSA-N 426.496 1.465 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(N)=O)cc2)CC1 1740699091 UBQOKQCSJNCTDO-UHFFFAOYSA-N 447.547 1.434 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1740844023 URWWGPULPBKSTH-MRXNPFEDSA-N 441.598 1.876 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740867578 OMNBLTUMUWTUGR-UHFFFAOYSA-N 444.540 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 1740953424 FUOYWLSIIIIEBB-UHFFFAOYSA-N 440.548 1.557 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1741285599 ZRUWPZCCKAKWOV-QHCPKHFHSA-N 435.532 1.838 30 10 IDEE Cc1occc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1742065016 XQMJZVQGIFXRHY-LZICOFPGSA-N 439.476 1.293 30 10 IDEE CCC[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1745216418 ILPGLGUFBPJGCM-KUOYXJDGSA-N 429.525 1.628 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1748666997 LLLNLWJOKWDVPS-FPOVZHCZSA-N 435.576 1.505 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOCC1(C)C 1748856222 VBOCGQMZDWTWOO-UHFFFAOYSA-N 440.573 1.453 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1749015871 QHMMNBKLTICHJX-UHFFFAOYSA-N 440.592 1.845 30 10 IDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749397195 PTFLQIDUVZBYJW-UHFFFAOYSA-N 426.525 1.666 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1749669852 OLQBYDSHHCOKGV-IBGZPJMESA-N 432.569 1.023 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OCC)CC1 1749680739 PMGJDGBGQUYWMA-UHFFFAOYSA-N 446.483 1.577 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1749683293 OLXDGDCVDVXOQQ-GOSISDBHSA-N 444.511 1.906 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749728955 WDZNTLLEDYYUOQ-GOSISDBHSA-N 439.520 1.806 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)(C)C)C1 1749734987 PBQRQSLUHPCMQH-HOTGVXAUSA-N 444.623 1.653 30 10 IDEE COCCOC1(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 1750035838 CMRPACKMFDMOEP-UHFFFAOYSA-N 441.536 1.392 30 10 IDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760142013 ONWFVKNQOUEXNK-UYAOXDASSA-N 437.500 1.892 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760187038 SUJLVNXEYAAXGX-VQTJNVASSA-N 446.573 1.465 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760190956 XUOYWFKZSDSLHK-MSOLQXFVSA-N 434.587 1.984 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(N(C)C)c2)CC1 1760257251 RUTSRZONNJCYIV-LJQANCHMSA-N 426.565 1.872 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1760285004 WAZFTPRCWXURCR-LJQANCHMSA-N 429.594 1.859 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760373899 DUAZLTOWTJICDK-HNNXBMFYSA-N 442.973 1.271 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1763005427 ARFKWCBWEFTEIQ-FUHWJXTLSA-N 444.561 1.856 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764772167 ACPDKDVRHRDOAJ-FOZPMILNSA-N 430.509 1.141 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1766682002 BYNQRCNPWAIZAN-UHFFFAOYSA-N 431.518 1.641 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1768800494 AUXMGPIZDJIKFU-YGKKUGEXSA-N 430.509 1.519 30 10 IDEE COCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770983278 BBPGUSXSYKALOD-QHCPKHFHSA-N 449.515 1.586 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2F)C(=O)C12CCCCC2 1854402051 XCGLUBCRAQHGCT-UHFFFAOYSA-N 425.457 1.734 30 10 IDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1COCCO1 1854554120 HCBVXCWFTHZLIP-VQIMIIECSA-N 434.514 1.637 30 10 IDEE COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854644725 LXNYALGVUDWGGQ-HNNXBMFYSA-N 427.482 1.558 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCN(CCO)CC1 1870757739 CMDBNAUUHGKFRG-UHFFFAOYSA-N 426.517 1.162 30 10 IDEE COc1cc(/C=N/N[C@H]2CCS(=O)(=O)C2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1873470468 IVHLOYSZJRGBEW-BBJIBYMTSA-N 433.442 1.933 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCCn2ncccc2=O)[C@H]1c1ccc(C#N)cc1 1892053150 CDXNHXCZSNXMIK-NHCUHLMSSA-N 439.541 1.715 30 10 IDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085661570 XKNMARMNGNYWRD-AWEZNQCLSA-N 437.302 1.791 30 10 IDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C)C1 2247135255 BBBFVVFDKOJJPJ-UHFFFAOYSA-N 443.541 1.212 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2248402775 ATHSLSSEBXFVTP-CYBMUJFWSA-N 440.371 1.858 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545393 POPRIYXDAQPONM-DZGCQCFKSA-N 434.346 1.847 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629740 AHDHNTXRHURBFS-KBPBESRZSA-N 434.346 1.942 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2255647556 ADVPDCAPXCMPMW-YEJXKQKISA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255696636 XBNBGHXIEHVIKW-ZIAGYGMSSA-N 432.330 1.951 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC(C)(C)COCc2ccccc2)n1 2255802798 FBYIMMAUJSETSZ-UHFFFAOYSA-N 449.382 1.993 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256674544 KWCPFXBKIVYCAH-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267218448 VLHGBRRHUBZUDE-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C2COC2)C1 2267284798 FIIBTWPXNBQCMY-UHFFFAOYSA-N 447.341 1.774 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267496131 VIXBYDNYZGRCDR-KBPBESRZSA-N 446.357 1.657 30 10 IDEE Cc1c(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527568 JLWNNVDHRLYWLB-UHFFFAOYSA-N 446.357 1.863 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267550495 ZZCNMSKCBPCYRC-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE Cc1ccc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2268651912 RJNYQAXVTNXDBZ-UHFFFAOYSA-N 447.341 1.874 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2269713276 OEECQDYBBUYOIH-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE Cn1c(=O)[nH]c(=O)c2c1nc(NN=Cc1ccccc1)n2C[C@H](O)COc1ccccc1 5295532 HUTGGWJWEYKGDN-INIZCTEOSA-N 434.456 1.309 30 10 IDEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 102751565 SQUSGZHKTMILTI-LCPUNJGISA-N 441.459 1.983 30 10 IDEE Cn1c(CCC(=O)NCC2(CC#N)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 431147644 CWDOLJJJHWKMRO-UHFFFAOYSA-N 445.545 1.337 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C[C@@H]1CCCO1 445591189 KKBFJUVGKDCIGK-HNNXBMFYSA-N 449.935 1.909 30 10 IDEE C=CCCCNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 448379130 YDWJGDAHGNCFPC-UHFFFAOYSA-N 442.925 1.653 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 487511786 IEJNKLBGVFJKGI-UXHICEINSA-N 432.484 1.549 30 10 IDEE CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)nc1 489266270 JJXHQYUNBWJRMY-UHFFFAOYSA-N 429.502 1.734 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 502162131 LSXUNWMQSZWXME-PBHICJAKSA-N 444.579 1.333 30 10 IDEE C[C@@H](C#N)CN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C1CC1 533140810 ZCYBQNAGJFNESI-LBPRGKRZSA-N 442.335 1.953 30 10 IDEE N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCCC1 546798707 HIGFOFBWJITAQG-KRWDZBQOSA-N 441.575 1.647 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 559005843 ZTBVJZZTBKVGOR-KBPBESRZSA-N 426.568 1.807 30 10 IDEE Cc1nn(CCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1S(=O)(=O)NC(C)(C)C 564051073 UHNXRQJAKNBURU-UHFFFAOYSA-N 425.536 1.317 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCCN(CC)C(=O)C1 571809192 HRJWUPVOFKPQDZ-UHFFFAOYSA-N 446.577 1.652 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)cc1 577968991 OSEMLITYKRWPBF-UHFFFAOYSA-N 435.459 1.266 30 10 IDEE CON[N+](=O)CC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 585088908 JUGSAEJPMDSSJI-QRWLVFNGSA-N 449.509 1.460 30 10 IDEE COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 609801955 WUMRYTQPHCLJQD-UHFFFAOYSA-N 443.934 1.615 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)C[C@H]1CCS(=O)(=O)C1 610122605 SOJXKKMOQWMITE-GFCCVEGCSA-N 445.335 1.991 30 10 IDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 612197090 ZNIBVDUDFBPREN-UHFFFAOYSA-N 446.532 1.023 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC1CS(=O)(=O)C1 615808912 ULQSIPDJZPKFRC-UHFFFAOYSA-N 431.308 1.649 30 10 IDEE CCn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1C[C@@H]1CCOC1)CC2 619858301 YRXXFQSVPGYFRQ-KRWDZBQOSA-N 431.500 1.993 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 685555156 SLRWWLPVVPYPQU-ZFWWWQNUSA-N 431.566 1.823 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 734294506 RWGJYXCBPGTPIB-HNNXBMFYSA-N 441.465 1.496 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 734560620 ZJJDVMLGXZMFCT-LJQANCHMSA-N 443.481 1.271 30 10 IDEE COc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Br)c1 737305224 FVHXQWCUCUANTN-CCEZHUSRSA-N 437.250 1.039 30 10 IDEE COC(=O)[C@@H](NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 739988819 BESAYNRUSQJDHJ-FQEVSTJZSA-N 429.498 1.583 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1=O 742171592 PMIYOFVQAVDMRG-AZUAARDMSA-N 426.517 1.580 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 746154794 PYTWUYPJADHESQ-QZQOTICOSA-N 446.891 1.306 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC2CCC2)cc1 765441257 VDXCRGDNOQAKDL-NKFKGCMQSA-N 436.534 1.371 30 10 IDEE C#CCN(C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H]1CCS(=O)(=O)C1 774264379 VXAYCOZJONRCNW-JSGCOSHPSA-N 427.885 1.416 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC(C)(C)O)C1=O 774285172 SJLMFZHNPWSCGB-QGZVFWFLSA-N 431.562 1.719 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 774920472 PPESMDJWIZMEAA-UHFFFAOYSA-N 439.453 1.560 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 781518389 IUBOGLCABRPURK-UHFFFAOYSA-N 437.481 1.802 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@](C)(O)Cn2ccccc2=O)c1 791127502 HRMYTTRMLNYVGJ-LCMCWVSWSA-N 432.502 1.051 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 794578486 COLLRIGHMNHBLQ-UONOGXRCSA-N 431.539 1.044 30 10 IDEE Cc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1S(=O)(=O)NCC#N 813653836 LIFCJPIMYHHJAI-HOCLYGCPSA-N 436.534 1.925 30 10 IDEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 919847986 LOQRNVIMGAUNJM-OAHLLOKOSA-N 441.513 1.306 30 10 IDEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccc(F)cc1 1084257327 FMXKLOZRHQARBO-UHFFFAOYSA-N 446.424 1.922 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1 1131842106 HHNYAQPGHJBUKF-FQEVSTJZSA-N 442.541 1.790 30 10 IDEE C#C[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCCO1 1138445687 DNPOHHBAGZDYTG-DMPWYTOCSA-N 438.521 1.631 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1)c1cc[nH]n1 1151402457 GBIWILBLNVPSQL-HNNXBMFYSA-N 438.488 1.935 30 10 IDEE CNC(=O)NC[C@@H]1COCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1152781054 BQMGGXZHJZXDPH-OAHLLOKOSA-N 442.476 1.179 30 10 IDEE C[C@H]1CN(c2cccc(CN(C)C(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)S(=O)(=O)C1 1155870590 YSZGSPRMKXZAQS-ANNUQZOISA-N 446.529 1.347 30 10 IDEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c1 1156620158 BBCMEFUMRONQJT-AWEZNQCLSA-N 432.889 1.978 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(Br)cnc3[nH]2)cc1 1159140583 BEOVVLWMJNSVPM-UHFFFAOYSA-N 434.275 1.884 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1 1163264406 SEJZPEDCYYUZCT-HXUWFJFHSA-N 436.497 1.785 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(C#N)CC4(CC4)C3)CC2)cc1 1165639445 SUOASSAWAWEQDJ-UHFFFAOYSA-N 432.546 1.347 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1168642808 MXRAWZQXBWAJHT-UHFFFAOYSA-N 428.514 1.948 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@H]2CC(N)=O)n(Cc2ccc(F)cc2)c1C 1171248543 ATKVPTXLHXSOFM-GOSISDBHSA-N 427.480 1.679 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)CC1 1171724713 ZGGUESQPINXTBX-RBZQAINGSA-N 439.604 1.654 30 10 IDEE COc1ccc(-c2csc(NC(=O)CN3CCN(C(=O)CC#N)CC3)n2)c(OC)c1 1194458277 QRAWGOQEVVVEHR-UHFFFAOYSA-N 429.502 1.824 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCCc3ccccc3)c2)CC1 1204227307 USNKGBADLOLNBZ-UHFFFAOYSA-N 442.541 1.925 30 10 IDEE C#CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1206409865 FZKPQDFSOMEEHM-CHWSQXEVSA-N 441.472 1.664 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(OC)CCOC2)c1 1286309002 FYVRXFWFTWAXPU-HSZRJFAPSA-N 449.515 1.540 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCC)c1 1286377177 UASDWZBQNWCQLC-IBGZPJMESA-N 447.561 1.322 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1286394170 HETJYOXDUOAODA-RXVVDRJESA-N 446.577 1.336 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCOCC1 1286397984 RMPRACWYPHNETD-UHFFFAOYSA-N 441.919 1.476 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccn(C)n1 1286400300 BNHNNGWHTUPFGB-UHFFFAOYSA-N 436.545 1.401 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1286420139 MLKFIKONDBAKFQ-KRWDZBQOSA-N 447.536 1.912 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)CC)CC1 1286487917 RPQQDZPLAKZAIU-JOCHJYFZSA-N 440.504 1.980 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1286613312 XFJFPEKVXITCDU-HNNXBMFYSA-N 432.550 1.577 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1286790908 LBLWGLDBWCWUNH-UHFFFAOYSA-N 442.612 1.966 30 10 IDEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)cn1 1298840243 GFCPDGLGZVRTGP-OAHLLOKOSA-N 427.490 1.641 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1300309553 HURAWIYHCMTCCP-SWLSCSKDSA-N 438.579 1.191 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1300482178 DHUKQAMBPNWVOV-HNNXBMFYSA-N 440.472 1.872 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1300482181 DHUKQAMBPNWVOV-OAHLLOKOSA-N 440.472 1.872 30 10 IDEE C#CCN(c1nnc(C)n1CCc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1300485868 ZXANDNDMFIQDRH-HXUWFJFHSA-N 445.589 1.396 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1300488900 HVNIBWYBHNJOMA-IBGZPJMESA-N 441.557 1.631 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1300489044 IGXAZFBTFIHUBK-GOSISDBHSA-N 429.546 1.488 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1300501346 KAPGDFICSSAQTR-OXQOHEQNSA-N 434.587 1.827 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)nc1 1300511856 PLLYYOLYDKCWAE-UHFFFAOYSA-N 438.289 1.651 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)CC 1300603062 NMHACOGMHVGYME-GDLZYMKVSA-N 436.607 1.775 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCCC)CC1 1300718550 SKLVQGFXXDJPAH-UHFFFAOYSA-N 433.516 1.309 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CCC)OC 1300805480 DZBZZDLTYVKIPU-ABSDTBQOSA-N 439.582 1.418 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301036345 CEUXJBLZMKHAEA-CQSZACIVSA-N 432.872 1.612 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301049348 UDDMTRZGDMTBFB-QGZVFWFLSA-N 436.513 1.273 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301482712 ASIHIVWWVUDVDD-INIZCTEOSA-N 448.531 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301579387 QNTFSFUUCZKYQS-FQEVSTJZSA-N 434.566 1.977 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC[C@H](O)C1 1301806338 CSCNHRAUDFADDS-HOTGVXAUSA-N 430.509 1.923 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1302494015 FIHFQSXNRLWNQV-IBGZPJMESA-N 431.497 1.808 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(O)CCOCC1 1305120525 DYXWBWLRJUBXMH-MRXNPFEDSA-N 440.552 1.494 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1CCCO 1316281347 LCZABYQHRKSOIO-ZCNNSNEGSA-N 432.569 1.589 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(CN3CCOCC3)o2)c1 1351602131 RFOQTZCAROZLHZ-UHFFFAOYSA-N 437.496 1.599 30 10 IDEE C#CCN(c1nnc(CC)n1CC1(N2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358963536 JUFZTVAKEYQOFX-IBGZPJMESA-N 449.621 1.502 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1358993001 CLKNJQKIOMDSOT-CYFREDJKSA-N 449.559 1.455 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1359097508 PYBIZKFLDDCBME-NQIIRXRSSA-N 440.548 1.925 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359129835 ORGQRFMZDBFVOI-SFHVURJKSA-N 443.504 1.608 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359178460 RQJGIKGVQQGZOO-ZJYNUGOYSA-N 425.493 1.158 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2COCCO2)C1 1359324681 QIAYMSUWUPALES-JKSUJKDBSA-N 433.534 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359330411 QTFVMLRBOQYHHO-KRWDZBQOSA-N 430.534 1.142 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 1449056619 ASMQMWDEUBORGC-QGZVFWFLSA-N 436.553 1.032 30 10 IDEE Cc1cccnc1OC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1467724653 HLSZIYXCGYAWMS-MRXNPFEDSA-N 428.514 1.999 30 10 IDEE CC(C)Cc1ncnc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1I 1472891079 AGOHDYVJNFUWIB-XHDPSFHLSA-N 446.314 1.654 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1503808053 COASTXMHTZQTSN-FQEVSTJZSA-N 448.531 1.672 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1503927985 CIRVFQIDNJRXKZ-KUHUBIRLSA-N 436.513 1.672 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1504911729 WDECIJNERXTTKQ-UHFFFAOYSA-N 449.515 1.495 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1505135214 QJTHIHJTPWPACV-LJQANCHMSA-N 444.561 1.368 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1507532991 HXGNXCUQPMLVJX-IRXDYDNUSA-N 435.532 1.899 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507552793 TWNMPIDCKDVBQN-QGZVFWFLSA-N 441.536 1.084 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507615834 BULZVZZAEZIMDV-QGZVFWFLSA-N 442.520 1.931 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1507968599 WSYYUVZBRLKCEU-INIZCTEOSA-N 429.550 1.939 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1NC(=O)CC1(C)C 1517125969 VKPZRMBCDBABLH-GOSISDBHSA-N 435.532 1.823 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 1519529361 ARZUTVYEGTXYEA-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE C=CCN(C(=O)c1c2c(nn1C)CCS(=O)(=O)C2)[C@H](Cc1ccccc1)C(=O)OCC 1538618931 RBXNUIDXHNJPGF-LJQANCHMSA-N 445.541 1.694 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539216827 XOIRPBDJIXXAEK-SFHVURJKSA-N 429.546 1.662 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1539264980 BCYZQWCAYXODLR-FQEVSTJZSA-N 428.452 1.406 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1539305298 WJMJPNDOPBRCTA-MRXNPFEDSA-N 427.486 1.751 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1OC 1539333950 QIZOHRRXVSZGNV-ROUUACIJSA-N 441.557 1.784 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1539371252 RMQCHNXRJZQQOB-QGZVFWFLSA-N 444.540 1.728 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCOC1 1539377146 LZCMTVPNLKNGCG-XMMPIXPASA-N 438.576 1.254 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@H]1COCCO1 1539416440 OFAXDWZCCLGUGK-FXAWDEMLSA-N 428.489 1.682 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCN(C)CCOC)CC1 1539446398 XZIUIMJYCXBWPF-UHFFFAOYSA-N 449.559 1.934 30 10 IDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)[C@@]2(C#N)CCCOC2)c1 1539477191 WODXCOUPXNSWKH-MRXNPFEDSA-N 430.324 1.472 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539514356 YHDDRJRIHULFRM-UHFFFAOYSA-N 448.556 1.527 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1CC 1539751386 MJDQDHCDQOZHSQ-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)c1ccccc1 1539764896 BDIQBZSMQVKAPF-UAGQMJEPSA-N 447.517 1.716 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540013224 MIIWTNDJTHRWIN-UHFFFAOYSA-N 449.563 1.926 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540868051 QCBBQPVBFBGHMX-UHFFFAOYSA-N 428.541 1.216 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540916261 VCXLIISSRXBCET-HNNXBMFYSA-N 442.611 1.009 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1541006102 BEKLPNCWZKWLEC-HSZRJFAPSA-N 436.564 1.558 30 10 IDEE Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)C2)n1 1543003679 FJVVNEHAFFDBJF-LJQANCHMSA-N 433.520 1.955 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=C3CCCN=C3NN2)c1 1544607828 JMTBWBXHLVFDSU-KOEQRZSOSA-N 430.534 1.772 30 10 IDEE CCc1noc(C)c1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1546569727 HZIWITRIOGDKLS-IIBYNOLFSA-N 430.509 1.955 30 10 IDEE CN(C)C(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cn(C)cn1 1548375069 ASXFTNLIRBOFIO-QGZVFWFLSA-N 434.422 1.730 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC[C@@H]1C 1555188944 UKDDSOKPXAIJSQ-YJBOKZPZSA-N 433.534 1.635 30 10 IDEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCCCC1 1555296375 FHVCCSQZFKUYON-KXBFYZLASA-N 442.561 1.927 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCCN2CCC[C@@H]2CO)cc1 1555989667 OZKJPSBYNVEWGO-HXUWFJFHSA-N 442.589 1.622 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(=O)OC)s3)CC2)c1 1556920253 JLXZPFUGFFMRHT-UHFFFAOYSA-N 447.538 1.409 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1557387312 TYPKHBXHWBNLBJ-QTJNJRLBSA-N 439.512 1.593 30 10 IDEE CCOC(=O)[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H](O)c1cccnc1 1557912475 MEDKXGYWRNEOLV-ZWKOTPCHSA-N 448.273 1.876 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@](C)(CO)Cc1ccc(Cl)cc1 1557997162 CIDNOTIOSDDUTH-JLTOFOAXSA-N 435.933 1.988 30 10 IDEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1558024823 ZYOHPJMJDOSYGJ-QGZVFWFLSA-N 446.451 1.175 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCS(=O)(=NS(C)(=O)=O)CC1 1559862910 GYYKAWOQDKLERJ-OAHLLOKOSA-N 442.563 1.074 30 10 IDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1565064145 YVZCDZNVUVOWJB-FCGDIQPGSA-N 428.599 1.803 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)n1 1565225170 PFMBTXSTIZQKRC-UHFFFAOYSA-N 433.553 1.480 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCc3cc(C#N)ccc3F)CC2=O)C1 1565356376 ZMEXFPFTRLWQKM-HNNXBMFYSA-N 431.468 1.717 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1569675806 JURYREQQMCMEOY-RTBURBONSA-N 447.488 1.438 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1587640759 VABATCRWCLYYIK-HZPDHXFCSA-N 430.513 1.336 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1588006811 QOGIDDQORVNGJA-FQEVSTJZSA-N 435.576 1.681 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588041610 YMYRFUTVKWACSX-SLQAJWMNSA-N 448.614 1.903 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)Cc2ccccc2)CC1 1588800942 SBMAPKRUZCVZBF-UHFFFAOYSA-N 432.532 1.092 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588877238 XXXYLSGNUPRKHC-GUDVDZBRSA-N 449.621 1.387 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1595523046 NZGKVSIBTSMXTJ-INIZCTEOSA-N 440.508 1.670 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(=O)N(C)C)CCCC2)C1 1595714440 NVDPPPFPEWUJHI-IRXDYDNUSA-N 430.553 1.659 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1596830486 BMCKXEHPTDDMHV-QUCCMNQESA-N 438.580 1.802 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1597316398 NAMRPZSKMWWOOD-RBUKOAKNSA-N 439.564 2.000 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1(N2CCCC2)CCOCC1 1608351286 CODDHQCVZQWCMZ-UHFFFAOYSA-N 429.569 1.801 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1610402595 ODTYRZBMXLOKHX-MTNREXPMSA-N 433.553 1.989 30 10 IDEE Cc1noc(C[C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1611478919 OQGDGPONOYHITC-WMZOPIPTSA-N 436.472 1.936 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)C1 1611766860 CTTXLXBHZIAJQU-KSSFIOAISA-N 437.957 1.860 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F 1613594265 FHBGGIOSYUTOSL-HNNXBMFYSA-N 431.472 1.538 30 10 IDEE CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1614318080 FWIBRPDHWOCUCZ-QGZVFWFLSA-N 448.535 1.521 30 10 IDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615888618 GITJNHQVLHRJDK-NRFANRHFSA-N 434.548 1.573 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1617705545 AFABGOGSOWQWSS-KRWDZBQOSA-N 446.577 1.894 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(Br)nc(Br)c3)C[C@H]1CS(=O)(=O)C2 1618171668 HGUQIVGCSCUWJL-TVQRCGJNSA-N 449.124 1.617 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1619539042 FMGLMPGUNACWIL-ROUUACIJSA-N 433.534 1.349 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1619982826 ICOVWMPRCKNTEQ-JKSUJKDBSA-N 425.555 1.567 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1620154840 IBUDFGGWGDXAAZ-QGZVFWFLSA-N 426.506 1.122 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCCn2cccn2)c1 1620348667 BLMYGBJUHOTNDI-UHFFFAOYSA-N 434.504 1.574 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C2CCC2)CC1 1620358566 WPQUGXSOPYXVLU-UHFFFAOYSA-N 427.553 1.837 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC#CCO)c1ccccc1I 1634026953 KCXVZVFOFBNMTJ-CQSZACIVSA-N 444.269 1.969 30 10 IDEE CCCN(CC(F)(F)F)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1641325751 OJXREGDMVGFOHL-UHFFFAOYSA-N 432.399 1.024 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c1 1642686383 GYOZTSQPXYSZMT-MOPGFXCFSA-N 442.541 1.796 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1643854662 QLXKHQGNYWQBKL-NZCNEKLBSA-N 438.571 1.252 30 10 IDEE C#CCN(C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789664 KMMATLCCXOTWGJ-MOPGFXCFSA-N 442.516 1.819 30 10 IDEE C#CC(C)(C)N(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1645272561 ZRPJXCWNLJHZJP-UHFFFAOYSA-N 437.562 1.777 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)s1 1650791322 DELKZXNUXZPNRN-JYILRKAJSA-N 425.919 1.808 30 10 IDEE C=CC[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1657637844 RJEIYWKJYNGXDA-GDBMZVCRSA-N 427.548 1.582 30 10 IDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1666758673 FQRHISRVMMHFBZ-NVXWUHKLSA-N 437.518 1.156 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 1671372184 CZVSLKMIKFHNBB-UHFFFAOYSA-N 444.513 1.896 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 1681130270 PCDRZQGQQMAJAS-OALUTQOASA-N 439.516 1.074 30 10 IDEE COc1ccc(Br)c(C(=O)NCCCNC(=O)N2CCO[C@](C)(C#N)C2)c1 1681603916 BDXBYDPDPLBVCX-GOSISDBHSA-N 439.310 1.902 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1689982563 QEJWQGNJSGKOMV-KRWDZBQOSA-N 448.545 1.626 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689994252 VCQOYFWMKHEAAG-YLJYHZDGSA-N 438.619 1.506 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1690019205 CVABUKMALYXWQI-SFHVURJKSA-N 443.548 1.919 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1ccnc1C 1690063880 SDIWSCZUSRCKLH-UHFFFAOYSA-N 441.561 1.860 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2cc(C)nn2C)n1 1690109364 PAKQYMNFVIKEPH-GOSISDBHSA-N 438.536 1.355 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)c2ccco2)CC1 1690114790 HRLYMBDBYUWHQG-UHFFFAOYSA-N 449.471 1.632 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(OC)CCOC2)CC1 1690130678 LRMMVCQHFBYEIC-HSZRJFAPSA-N 425.533 1.460 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1690159955 RLYCEJZHLDUYPX-UHFFFAOYSA-N 429.506 1.681 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690179013 KEIFLENYMVSMOL-SFHVURJKSA-N 425.562 1.671 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CC(N)=O)C1 1690251736 YPNITMZGMVRPKD-WWMYMODYSA-N 430.553 1.474 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1690301124 PPENMTMLRPFUPT-QGZVFWFLSA-N 441.598 1.878 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690464921 NFTVDNLATPOTBN-HZPDHXFCSA-N 436.538 1.806 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690665369 AZAHLHCMJYXPJP-GOSISDBHSA-N 440.548 1.414 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690665968 VKYZDBPVLWRNTF-HNNXBMFYSA-N 442.520 1.322 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1)OC 1697756768 GTKMPJHDXZDNOA-AZUAARDMSA-N 426.521 1.831 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN(C(C)C)C1 1698256178 ZQQAFSQHOLYVEZ-WCIQWLHISA-N 432.569 1.851 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N1CCOCC1 1705544880 HFGHNDFDGFCHMF-UHFFFAOYSA-N 448.321 1.644 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1705570811 RHTJMPOEJQJYEX-GOSISDBHSA-N 444.561 1.505 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1705674876 SWQQDSKZRBQPRN-VQIMIIECSA-N 441.623 1.746 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705740493 NDQBGNRKVXKGJP-SIKLNZKXSA-N 446.552 1.834 30 10 IDEE C=CC[C@@H](Cn1c(C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1705795511 LRDHEXBQKIFEAU-QFIPXVFZSA-N 438.576 1.927 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1705799049 KDPQQHHMCQZZIR-KRWDZBQOSA-N 426.583 1.904 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1)C1CC1 1705854062 HZILFJMYLZWCPE-HNNXBMFYSA-N 430.534 1.874 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC)C(=O)C2)cc1 1705911804 QMSPYLKMYPAVGR-LJQANCHMSA-N 438.532 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@H](C)[C@H]1C 1705927814 GXWAFAMTGJQNGU-HUUCEWRRSA-N 427.596 1.445 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705934932 BFFBTCAYLBQPHQ-LJQANCHMSA-N 439.626 1.626 30 10 IDEE CN1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1711276045 PIJFTHIBGFCQNG-QFIPXVFZSA-N 425.537 1.468 30 10 IDEE CO[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C(F)(F)F 1711534745 MLODOVUQHBIHNZ-KGLIPLIRSA-N 435.472 1.888 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1712094103 APBRKAWCTPLMMG-NHCUHLMSSA-N 440.548 1.637 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CCOCCCO)CCO2)c1 1712879390 YRUSKWXBWGJHGA-UXHICEINSA-N 427.505 1.631 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1cncn1 1722380075 BZGATNZPFZGTNA-UHFFFAOYSA-N 441.499 1.430 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722397858 VRZRRSMWCZPVMT-RTBURBONSA-N 434.548 1.746 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1722411842 RAGGIQLXKYLPSF-LJQANCHMSA-N 449.621 1.675 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722428968 DMKWZJXGQIXGLK-QUCCMNQESA-N 428.581 1.933 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1722443079 MXVWMUXFCWTDLT-UHFFFAOYSA-N 445.527 1.309 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1722677890 HERWMAWZLXBUIQ-UHFFFAOYSA-N 447.971 1.796 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722695127 UFTHILQYFAXNQY-GOSISDBHSA-N 437.504 1.014 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC 1722699583 WGSOEGUQVHXBPV-KRWDZBQOSA-N 447.561 1.170 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722700246 CCFLUHMTKOPDDF-JOCHJYFZSA-N 426.521 1.142 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722702366 ISADIWCFSKLMJI-MUCNXURCSA-N 447.580 1.883 30 10 IDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)C[C@@H](C)O2 1726666905 QSUMZBBXHSXBPS-IEGUWTFLSA-N 441.532 1.988 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCC[C@H](C)C2)CCOC1 1728815178 CWPUAGZHBRPXOJ-JZJXAQOMSA-N 432.569 1.779 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1729350711 AAGBIHNMIGKFGH-XLIONFOSSA-N 431.518 1.246 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1729397542 WCGMYXCENUELLD-LJQANCHMSA-N 444.561 1.716 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1 1729545540 HFQVAIVDPLCHPS-UHFFFAOYSA-N 448.549 1.141 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCSCCCO)CCO1 1731190328 PYBLILDFKROJRJ-INIZCTEOSA-N 431.518 1.561 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1740533624 SHLSSYRFBXSRAI-HZPDHXFCSA-N 432.550 1.005 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740623254 QLNMIIIITZJXNI-RKOGDMNLSA-N 426.608 1.720 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCCN1CCN(c2ccncc2)CC1 1740645915 VNKOWYOEPXFEJY-JOCHJYFZSA-N 433.560 1.810 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](OC)C(F)(F)F 1740647988 ANYLZNKOJOPHNL-KBPBESRZSA-N 435.472 1.319 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1740667593 JOXJCBWJHHDRIH-UHFFFAOYSA-N 427.534 1.530 30 10 IDEE C#CCSCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723614 TVRXLRDKAKYFTF-VQIMIIECSA-N 442.607 1.308 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740757102 MZUHWMYAOOHPSA-JZXOWHBKSA-N 434.566 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1740957114 BQGMOADVECCUJZ-UHFFFAOYSA-N 448.575 1.834 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(=O)NC)C1 1740963551 OFHSYVLTSNTHKR-GOSISDBHSA-N 435.532 1.546 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1740965135 DPUSUQDCXSUSTM-SFHVURJKSA-N 440.548 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCNC(=O)[C@H]1CC 1740989702 VQVGRJIHRHZUGX-MRXNPFEDSA-N 437.953 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740989983 FJTHMGXQCJUESF-KRWDZBQOSA-N 432.550 1.589 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1748684381 IGFOFXIFZGVGNE-AWEZNQCLSA-N 435.575 1.552 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1748724822 JFBHNSUKFJHSMO-GOSISDBHSA-N 448.593 1.208 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1748809635 PELMPWYSBBSFJH-DYESRHJHSA-N 446.598 1.748 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748817278 HSIVNHGRHPIOFC-QRVBRYPASA-N 435.594 1.283 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2F)CC1 1748994980 VAEKTDXNXJHDNP-UHFFFAOYSA-N 446.477 1.816 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749048838 CBWVJNPAACASNT-LJQANCHMSA-N 446.621 1.631 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCCS1(=O)=O 1749147164 BOPZSRAKIXUYKB-LJQANCHMSA-N 427.571 1.368 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749354631 VPUVWFXXIPNFPC-KBPBESRZSA-N 433.600 1.114 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1749402000 HJYMYCSXOIZQNK-GOSISDBHSA-N 445.593 1.962 30 10 IDEE C=CCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749643354 OWNIXRIUVVVCCF-WOVMCDHWSA-N 448.568 1.966 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)CC(=O)N2CCOCC2)cc1 1749684148 RKFMZEQTMOYFAA-IBGZPJMESA-N 441.532 1.690 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1760175907 VAIQSPRHBUMFQX-KRWDZBQOSA-N 439.488 1.201 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1760194103 ZKFZSYZGCRUZTF-UHFFFAOYSA-N 448.527 1.469 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760204992 KQTFSBGEXOVHOS-UHFFFAOYSA-N 449.536 1.819 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1760238277 OKHNDAHJWRSFHQ-UHFFFAOYSA-N 438.576 1.696 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1760249111 HURFJDSXZIRXIF-KRWDZBQOSA-N 445.545 1.295 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760278088 LETGUSGAVWXWQE-QGZVFWFLSA-N 439.545 1.473 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1760317990 BXCQSCBMRKXYCN-YLJYHZDGSA-N 426.521 1.616 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760359112 CEXNTHQIPSFXBG-SFHVURJKSA-N 430.553 1.584 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760524881 MEYZCDYFPCJKGQ-YLJYHZDGSA-N 442.539 1.467 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1767384507 AOSYKODFECDOQI-QVKFZJNVSA-N 427.509 1.928 30 10 IDEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)n1 1767497436 CBOQJEOGTGBBIZ-UHFFFAOYSA-N 431.426 1.678 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1767544622 XFCZJQZJJQWSMW-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCSCC(F)(F)F)CCO1 1770746604 HWYUWYKSKIVESF-LBPRGKRZSA-N 441.439 1.950 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1771500866 FGDHDQPNXRTSGN-AWEZNQCLSA-N 427.490 1.323 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCCCCO)CC2)c1 1771534014 KCAOVPROIKGCJE-LJQANCHMSA-N 425.537 1.928 30 10 IDEE C=CCSc1ncccc1C(=O)N1CCCN(S(=O)(=O)NCC(F)(F)F)CC1 1851318099 ZLPDTWRDEGTPIO-UHFFFAOYSA-N 438.497 1.904 30 10 IDEE CC(C)(C)[C@H](C(=O)Nc1ncc(C#N)cc1Br)N1CCS(=O)(=O)CC1 1851710056 VOIONLBAJHSDJX-ZDUSSCGKSA-N 429.340 1.799 30 10 IDEE CO[C@@H](C)C(=NOCC[C@@H]1CCCCN1C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853518755 DUZFUYRBZZRQKS-HOCLYGCPSA-N 438.550 1.699 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(C)c(OC)cc3C)C2)CC1=O 1856788115 WMHWSHGEIHUUCB-HOTGVXAUSA-N 438.502 1.194 30 10 IDEE CN(C(=O)c1cccc(C#N)c1)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cn1 1858262446 KFWYVVPOEJJTQL-UHFFFAOYSA-N 441.513 1.840 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1OC 1858422274 PZZQCZJHKZCFCI-QGZVFWFLSA-N 429.498 1.902 30 10 IDEE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccccc1C#N 1867191384 REFRUSJBLRTCSU-SFHVURJKSA-N 448.435 1.909 30 10 IDEE C=CCn1nc(C(=O)N2CCN(c3ncccn3)CC2)c(I)c1C 1871336619 OLLGYXSUEMHMAW-UHFFFAOYSA-N 438.273 1.735 30 10 IDEE CCOc1cc(/C=N/n2cnnc2SCC(N)=O)ccc1OCC(=O)N(CC)CC 1874537523 INFUQEGYVRFWEX-LSHDLFTRSA-N 434.522 1.384 30 10 IDEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCCN3CCC(C#N)CC3)n2)c1 1890084353 OQYIXDMXTPGLAE-UHFFFAOYSA-N 425.489 1.279 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2060638613 ZDUORTWGBMWUDH-QDMKHBRRSA-N 430.314 1.827 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248471040 NWBPLQKCLGJWAU-LJQANCHMSA-N 436.343 1.763 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2255542557 UCKPTRSTKRCWAA-UHFFFAOYSA-N 436.314 1.850 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626374 FVPLCHAURMGZQW-GZBFAFLISA-N 432.330 1.694 30 10 IDEE Cn1ncc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255828214 CHJBZRBJTLNJJQ-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(Cc3ccccc3)C(C)(C)C2)n1 2267114115 DHPJMVRCGCKUDE-KRWDZBQOSA-N 439.369 1.897 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267266620 QSAREQWMHUFYJF-CQSZACIVSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2267495330 LEALVLBBIKXOBQ-BMFZPTHFSA-N 448.325 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268644807 RPXGBTCXHRTUHN-SJLPKXTDSA-N 446.353 1.972 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269042007 MJWAEERRQZFIES-ZBFHGGJFSA-N 441.293 1.564 30 10 IDEE C=C[C@@]1(C)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270520524 CVBPRCOIUBTICM-LPHOPBHVSA-N 426.491 1.061 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)n1C 2337329906 IWLAFEKDMLMWAQ-GOSISDBHSA-N 444.263 1.311 30 10 IDEE COc1ccccc1-n1nc(C(=O)Nc2c(C#N)cnn2-c2ccccn2)c(O)cc1=O 170585357 SUOJUAIFFGPPPW-UHFFFAOYSA-N 429.396 1.651 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)cc1 429183842 PPFYQWTWVICRMC-UHFFFAOYSA-N 438.550 1.594 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 460557050 UTGWOJWGJUFRIP-ROUUACIJSA-N 441.598 1.973 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@@H]1CCCO1 470448446 QBKJKZKLIHBRMU-AWEZNQCLSA-N 449.935 1.909 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NCCCCN3CCOCC3)c(C#N)c2N)cc1 477850044 JXFHHLLGQZLMPJ-UHFFFAOYSA-N 439.564 1.979 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC[C@H]3COc4ccccc4O3)n2)cc1 484669210 FZVOODKBPMVAGB-KRWDZBQOSA-N 432.440 1.483 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCCNC(=O)c3ccccc3)C2=O)cc1 504898535 UQSBDIOLFJHMJI-LJQANCHMSA-N 433.468 1.700 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 505379744 MXYYDZMEIQITGG-UHFFFAOYSA-N 429.565 1.289 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC3)C2=O)n(C)n1 506574847 DRYDYLDSWHVJRI-MSYCTHLASA-N 443.596 1.285 30 10 IDEE C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508862077 FRHWZMFHOXHVNM-KRWDZBQOSA-N 438.532 1.488 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 509010854 IGFATRKQYVFOIJ-ZIAGYGMSSA-N 426.568 1.493 30 10 IDEE Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 512261027 VYTATWWTQDGYBB-GOSISDBHSA-N 428.518 1.385 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 514475194 SIROXRLJUHMWCX-QGZVFWFLSA-N 429.517 1.647 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCc3ccc4ccccc4n3)C2=O)cc1 518232721 WSZHBPBXQNGQNV-QFIPXVFZSA-N 441.491 1.682 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 522286687 RTGUBYGQEIBZCW-KRWDZBQOSA-N 435.519 1.559 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)o1 531939169 IDNSUQCCUMLAGT-OAHLLOKOSA-N 430.526 1.946 30 10 IDEE CCOC(=O)c1sc([C@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)nc1C 541682227 SCSANXWQLLTWNF-ZDUSSCGKSA-N 446.533 1.796 30 10 IDEE COc1ccc(CN2CCN(C(=O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)cc1 544882482 XVNOYHLSWCZQAE-UHFFFAOYSA-N 434.544 1.428 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCO2)CC1 549479343 LKRIJTULKUSWQO-JXFKEZNVSA-N 442.495 1.882 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)n1 582156684 OINOCLVYIFFANI-HNNXBMFYSA-N 427.526 1.611 30 10 IDEE COCCN1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609045442 LGNYOQLBLAHOMO-IBGZPJMESA-N 434.562 1.186 30 10 IDEE CSc1nc(O)c(C(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1C#N 609202460 JVSTWQAKKGKBFN-UHFFFAOYSA-N 427.534 1.503 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 619851305 BEDKRXRWMGUTPU-IRXDYDNUSA-N 449.515 1.973 30 10 IDEE CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747496018 XUGCCFLBOMRMQA-UHFFFAOYSA-N 430.486 1.973 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccn(C)n2)cn1 765547074 IZSOXQVSDKUAOE-OAHLLOKOSA-N 439.505 1.587 30 10 IDEE C[C@H](CC(=O)OCc1cc(-c2cnn(C)c2)no1)/N=C1/NS(=O)(=O)c2ccccc21 769118844 UVWZGRQIUUVILM-GFCCVEGCSA-N 429.458 1.636 30 10 IDEE C#CCN(C(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@H]1CCS(=O)(=O)C1 769715738 CUYABHCRRZLESH-LBPRGKRZSA-N 434.333 1.115 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CCC1 771076107 DRWFTUGERNNWFG-SFHVURJKSA-N 426.498 1.563 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1F 771541528 OLWUDJHVBSLMKB-AWEZNQCLSA-N 435.460 1.331 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)cn1 772281321 WXKYOWRVQSSYNV-UHFFFAOYSA-N 435.484 1.461 30 10 IDEE COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1C 773973882 AWJOUPJKZMWLDA-MRXNPFEDSA-N 445.501 1.564 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOC 781654188 SIKPWUNHTVRQMX-CYBMUJFWSA-N 429.542 1.695 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 783350246 HTALUGPEGSWVNI-UHFFFAOYSA-N 428.816 1.937 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@H](CCSC)c2nnc3ccccn23)cc1C#N 785601451 MMNVGHDFIUWXEB-MRXNPFEDSA-N 438.513 1.836 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)n1 788333439 ZNRDPGOHIILNEF-GOSISDBHSA-N 430.892 1.959 30 10 IDEE C#CCN(C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O)[C@@H]1CCS(=O)(=O)C1 808868700 BCTATBJHUQFQOI-MRXNPFEDSA-N 431.489 1.998 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 809892767 DVXQGMLCEJFGTE-HOTGVXAUSA-N 432.525 1.584 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 813562711 KYXXVHIHFJKAKG-WFASDCNBSA-N 439.969 1.474 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C[C@@H]1CCCO1 837858858 DPVVWALRLQZOJN-AWEZNQCLSA-N 429.885 1.540 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc(OC)c1OC 1127752998 DIMZBEIEIYJDMK-JKSUJKDBSA-N 438.440 1.534 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1141694909 MXRCJYNDMVRKRM-TWGQIWQCSA-N 446.504 1.071 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)Cc2ccco2)cc1 1142243436 UDKGPIGXXCLYBG-UHFFFAOYSA-N 433.530 1.719 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)cc2C1=O 1152285408 NUAPAAWJSOJLOW-IRXDYDNUSA-N 429.473 1.569 30 10 IDEE C=CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 1174641187 FAKXDCLZTCMPCK-UHFFFAOYSA-N 425.551 1.941 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C1CCOCC1 1199872149 CODKOFFMKFFEEV-NRFANRHFSA-N 427.549 1.447 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1286400209 ZDQPGQOHBQXZCU-MRXNPFEDSA-N 435.463 1.841 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286560493 FKBVYFVKCYFFML-WIYYLYMNSA-N 441.580 1.475 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286567332 UWKXJTWLDMXNLJ-QUCCMNQESA-N 446.577 1.327 30 10 IDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286612615 HRNKLEFWGKJSAE-QGZVFWFLSA-N 430.484 1.803 30 10 IDEE C=CCCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286691620 MKZCNUUDXYYZES-HXUWFJFHSA-N 441.598 1.758 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286788777 FZLFEHPLYWVHTB-UHFFFAOYSA-N 440.552 1.196 30 10 IDEE CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1286947162 VNDPYRCZRYFMKV-KRWDZBQOSA-N 445.911 1.116 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H]3CNC(=O)c3cnn(C)c3)n[nH]2)c1C 1297868509 HQMIJDQIXPJKHQ-QGZVFWFLSA-N 436.520 1.844 30 10 IDEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CC1 1298024051 HGXYAELYFPSAKW-RBUKOAKNSA-N 428.562 1.780 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1299300068 AQSNPPDCIHXDKR-LJQANCHMSA-N 429.481 1.484 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1300398910 IDPTXYPURPUBEI-LEWJYISDSA-N 447.495 1.600 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1300479938 VTIFOSXNAIUEJQ-OKZBNKHCSA-N 435.594 1.869 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1300509607 PYFPNUIFDZIIAH-MRXNPFEDSA-N 431.566 1.170 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1300707837 LGTKGUXICDLDDO-XMMPIXPASA-N 436.560 1.707 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300756389 KZRITSZDPIOBRR-IRXDYDNUSA-N 429.550 1.006 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301127754 RXBYATAOLFMGPG-NRFANRHFSA-N 434.537 1.960 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1301367257 MMVSDGMPDWVGKU-HCXYKTFWSA-N 430.553 1.489 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1301515645 WHNBYKILWIVBIE-OAQYLSRUSA-N 431.468 1.294 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)C1 1303203950 DDHGWXULNUONIW-NPPFBWRTSA-N 429.569 1.716 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1 1306012118 CBDBXFJFPWUZQA-SJORKVTESA-N 439.509 1.675 30 10 IDEE N#Cc1ccc([C@@H]2CN(CC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)CCO2)cc1 1308115034 UQPWVLSIROIBLL-SFHVURJKSA-N 434.905 1.871 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1 1314926453 ICMQGXQMAGVZMM-QHCPKHFHSA-N 448.531 1.264 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnccc1OC 1316205751 IPLBDBNWNMZLER-LPHOPBHVSA-N 441.536 1.631 30 10 IDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1320056666 FOEODVSRMPIRLU-KRWDZBQOSA-N 436.530 1.662 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CNC(=O)c3ccccc32)c1 1354286288 QBRRTDIABHCLHS-SMKFHGBISA-N 426.498 1.965 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358964863 IUJHEYYLQKWZTK-LRXVAGHRSA-N 443.573 1.442 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnn(C)n1 1359015801 FVSKLHCEOAPLHX-OAQYLSRUSA-N 440.483 1.281 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1359063782 DBWSXSOOLBZTCY-IIBYNOLFSA-N 441.561 1.885 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359152774 IFUYUTVMZVXIRX-UHFFFAOYSA-N 438.923 1.837 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@]2(O)CCC[C@H]2C)CC1 1359165345 MUVCYYMQNBILGA-FUHIMQAGSA-N 439.582 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1359295427 ATPNFWHWQABJPT-INIZCTEOSA-N 446.939 1.430 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1451327168 MALNGEPWKYTBEL-CABCVRRESA-N 444.550 1.260 30 10 IDEE CN1CCn2nc(C(=O)Oc3c(F)cc(C#N)cc3Br)cc2S1(=O)=O 1461783360 DLGAFYMVPUGBIJ-UHFFFAOYSA-N 429.227 1.510 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1 1466592757 PVWQJIGKLIRWIQ-INIZCTEOSA-N 445.472 1.972 30 10 IDEE Cn1cc([C@@H]2CN(C[C@@H](O)CC3(C#N)CCOCC3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1473574714 XNOAXLUEKNSUJV-GBESFXJTSA-N 433.553 1.784 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccsc2)CC1 1507715868 JJRMYPHCJIXWSW-OAQYLSRUSA-N 428.562 1.239 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1507965640 ULGCJZVDUOSKPS-KURKYZTESA-N 441.598 1.686 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)o1 1510830269 SGTSAINZCUCTBF-HZPDHXFCSA-N 436.463 1.931 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(C)COCCO1 1513027219 NHCFPTUCQKYSSU-GSHUGGBRSA-N 440.552 1.974 30 10 IDEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cn1 1517003149 FVYHZUWWOBAASQ-GOSISDBHSA-N 443.577 1.820 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539220531 KJKZDARXHYSLDF-CABCVRRESA-N 435.575 1.476 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539230885 QTXOFGOSSYBTPG-HRCADAONSA-N 447.586 1.552 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1539266224 NYMADDFEFUCQRJ-QFIPXVFZSA-N 435.528 1.710 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCCC 1539291689 WGWNNEPBIGAESM-UHFFFAOYSA-N 440.935 1.851 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1539436486 UIOGDIBTILPFKS-QFIPXVFZSA-N 442.951 1.841 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1539490686 ZJXVYNUZSIKIHJ-INIZCTEOSA-N 430.578 1.376 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1539981713 JAUKNNXXACIADC-HOTGVXAUSA-N 427.571 1.629 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(CC(=O)OC)c2cccnc2)ccc1F 1540318351 FEBHPQJZGVXGOC-HXUWFJFHSA-N 435.477 1.893 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccnc2OC)C[C@H]1O 1554545705 RTZLHIUXBPMVME-RTBURBONSA-N 448.483 1.629 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)c1 1557182794 BXBJEKDMJVZNDZ-SFHVURJKSA-N 445.516 1.380 30 10 IDEE COC(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)(OC)c1ccccn1 1558029108 RDGUIYCDAWABLT-UHFFFAOYSA-N 432.502 1.162 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3cccc4nc(O)[nH]c34)CC2)CC1 1560164638 GLQVCQGESQBMTE-LJQANCHMSA-N 425.537 1.083 30 10 IDEE COCCNC(=O)C1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1565005668 YXXHOMIUAMWSQY-UHFFFAOYSA-N 427.549 1.707 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C(=O)OC)c2ccc(F)cc2)s1 1568645950 IMAKLZJGYWXOFZ-INIZCTEOSA-N 440.518 1.967 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1569024014 QYIQYXKDWXHZOY-HUUCEWRRSA-N 443.447 1.081 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 1587847708 QHTXZMGKOJXMKK-UHFFFAOYSA-N 435.488 1.302 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1588074807 SMVYRCHLXHQYAL-LXGFNABISA-N 436.578 1.383 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cc1 1588132702 NFLMPHQFKWLDGV-UHFFFAOYSA-N 447.538 1.610 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1588233228 DOLZQVIBDYSAPH-SFHVURJKSA-N 443.548 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1Cc1nnnn1CC1CC1 1588237422 APSPERYBVQSKRH-UHFFFAOYSA-N 430.516 1.785 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(N(C)C)c2)CC1 1588732520 BYQVINIDOGFLCG-UHFFFAOYSA-N 444.543 1.795 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588858196 ZLJGBLVDFKNECW-MJGOQNOKSA-N 430.578 1.441 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(C)(OC)C1 1595536980 KGUOUFHUSBNSEW-UHFFFAOYSA-N 437.504 1.202 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(N)=O)c2)C1 1595744681 OFHMPXPZXYYOMD-IBGZPJMESA-N 438.532 1.523 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1596821072 AQQFRBQNKXSXKM-HNNXBMFYSA-N 432.554 1.093 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)n[nH]2)c1C 1597903923 RZOISMWHDKRJLR-KRWDZBQOSA-N 430.509 1.510 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613434786 ULRXKPNDSJVWJP-LSDHHAIUSA-N 439.520 1.622 30 10 IDEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1619267932 CDTOOUSIQNLDTE-QGZVFWFLSA-N 426.477 1.308 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccc(C)cc1 1620024144 DRJHJZBEXUYRCQ-IEBWSBKVSA-N 442.520 1.469 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCNC(=O)C2CCC2)cc1 1620351330 VXDZLBOXLJLNGA-UHFFFAOYSA-N 426.546 1.692 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CSCCSC1 1624061881 GMVKQKMDNAWXPU-HNNXBMFYSA-N 440.616 1.477 30 10 IDEE C#CCOc1ccc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1625808035 SIBIJFORWKDIPB-SFHVURJKSA-N 436.530 1.853 30 10 IDEE CS(=O)(=O)N=S1(=O)CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1636427356 VTEMWHPIWLOVIL-UHFFFAOYSA-N 434.337 1.133 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1636856708 GZKWNUYALKILDY-RDBSUJKOSA-N 449.451 1.078 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c1 1637600798 BEJQDBUKSXSXPL-GUDVDZBRSA-N 449.573 1.423 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)CCC)CC2)c1 1638858193 LJAKCEWDPZNTKN-UHFFFAOYSA-N 426.560 1.418 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CC(=O)Nc1ccccc1S[C@H](C)CC#N)C2 1648576754 CZLOOOUEMATVGN-RHSMWYFYSA-N 441.561 1.892 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)COc1ccccc1C#N 1652619926 GZHGCDOZYJHECJ-QZTJIDSGSA-N 433.505 1.782 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ccc(C#N)cc2)CC1 1654540682 IFQPXFVKQPBJJU-INIZCTEOSA-N 439.541 1.305 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)CC1 1659408472 FDGJPWYQBXUWFW-XPWALMASSA-N 425.577 1.264 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1666007126 ZUENBYYOVFVZNY-OHTSDLOESA-N 441.571 1.983 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCc2cnc3c(Cl)cnn3c2)C1 1681435493 WUXXKGKJNNTXOZ-HIFRSBDPSA-N 433.900 1.983 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCc4ncc(Br)n4C3)CC2)c1 1687854647 IFRUATSAIOIRAQ-CQSZACIVSA-N 430.310 1.759 30 10 IDEE C#CCCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1689905885 CZFYLXXZHUXELS-JOCHJYFZSA-N 444.536 1.254 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689984884 XMHMEKKIBWPHIJ-HOCLYGCPSA-N 437.953 1.903 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1690169856 QRDDQLAIOCEXFK-UHFFFAOYSA-N 447.524 1.834 30 10 IDEE CC(C)OCCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1692675411 VVCIHIRXAKFSDW-XUTLUUPISA-N 443.552 1.229 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1692742255 HPMCPLVERVEONP-PEGYKEAPSA-N 449.602 1.987 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1696429007 FVXUJPYRFAABST-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1696528678 ZUVBMCLSEVZNAF-AUMHUTNHSA-N 446.581 1.138 30 10 IDEE CN(Cc1ncc(Cl)n1C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696722938 CGKNCEOBSQSZLS-FBMGVBCBSA-N 430.900 1.705 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1697666537 BNOCBGVSOSHYNR-MJGOQNOKSA-N 444.561 1.713 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1705494531 BIYCGHRGIHGALH-YESZJQIVSA-N 437.541 1.706 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705568842 VYVKCVDBIPZPQS-SOUVJXGZSA-N 433.559 1.477 30 10 IDEE C#CCN(c1nnc(CC)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570761 QQLZIXFBBWTOOY-INIZCTEOSA-N 439.582 1.724 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1705628090 XIYLMQYGLFRZAS-HXUWFJFHSA-N 433.516 1.608 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705688341 QGCCWCWSYRZPNQ-KBPBESRZSA-N 448.387 1.599 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705717115 COQHLTSFWFEUAO-SFHVURJKSA-N 426.521 1.448 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705739600 LNLDTKKYPDSFRN-INIZCTEOSA-N 446.577 1.919 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705741070 FIWJUXZBSABYRL-TUFLPTIASA-N 449.596 1.752 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705990514 WHMJUXUENXSSQF-VZCXRCSSSA-N 435.488 1.140 30 10 IDEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCOCC1 1706256713 FJJZOBMIUAQVRJ-UXHICEINSA-N 437.548 1.485 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1706936827 CEOAWKKMPVRBJJ-ROUUACIJSA-N 429.569 1.596 30 10 IDEE COc1ccc(OCc2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1711882500 NQIXDNUBDQJQSP-MRCUWXFGSA-N 438.488 1.992 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1712182812 JTNYBESJFUEHRX-PKOBYXMFSA-N 446.483 1.055 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722358847 MOEKBVPZIZEXDB-DLBZAZTESA-N 437.566 1.002 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1722411393 FOHJACLJQNJNFU-INIZCTEOSA-N 427.596 1.358 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cn[nH]c2)CC1 1722434713 YKGYWCMFJXUTFH-UHFFFAOYSA-N 439.545 1.070 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(OC)CCOC2)CC1 1722441539 KVMYBLAECIEZGN-QHCPKHFHSA-N 425.533 1.726 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C2CC2)C1 1722693388 MCUWTMSGTLZWNL-KRWDZBQOSA-N 429.546 1.887 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722697236 XWALCJKPRFONPY-UHFFFAOYSA-N 427.509 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722751200 RABVYOSXRINXMR-INIZCTEOSA-N 431.562 1.775 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1724009920 GSWOWPMPDZOIQH-HSZRJFAPSA-N 435.532 1.624 30 10 IDEE CC[S@@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1729234675 GBUWAMBCFXFRAJ-WJOKGBTCSA-N 439.549 1.040 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1730761563 YRDGZXCAGYILRA-DYESRHJHSA-N 427.509 1.830 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1730763321 FKJAMFVVAYFORA-DENIHFKCSA-N 426.521 1.968 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740637832 AKRHICFCJHDSIL-IAGOWNOFSA-N 426.521 1.702 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@H](C)C2)CC1 1740701083 TZVGSLKSOUPKOW-ROUUACIJSA-N 426.565 1.916 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)F)CC1 1740705531 HYKKHVJSFHRNCN-MRXNPFEDSA-N 425.480 1.767 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1Cl 1740958790 VDDQVCYMTNIHJR-OAHLLOKOSA-N 432.912 1.700 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740963468 LTKOOFUPTNAJTG-HNNXBMFYSA-N 445.549 1.046 30 10 IDEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1745433506 FSFCRSDRMHYMPW-LJQANCHMSA-N 425.537 1.500 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1748315651 FGOZTMDRLWIIHQ-MSOLQXFVSA-N 443.529 1.783 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1n[nH]c(C)n1 1748647571 PVMJWGRIYMGWNG-ZDUSSCGKSA-N 441.565 1.674 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748824050 HVMWXFNXNMGNCV-QGZVFWFLSA-N 448.545 1.507 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1748824414 AKIXSOXAPQTHCA-KRWDZBQOSA-N 433.512 1.967 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748937912 USMHHAQBDIOPSQ-UHFFFAOYSA-N 448.545 1.265 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2OCC[C@H]2C)CC1 1749004729 MKKGCBUPBFDCRO-ZHALLVOQSA-N 433.553 1.393 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2CCC(O)CC2)CC1 1749011073 ZYPBQTPZYMSTEI-UHFFFAOYSA-N 428.581 1.358 30 10 IDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCNS(C)(=O)=O 1749193742 OFXZWVMHGSXRPK-UHFFFAOYSA-N 434.570 1.014 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC[C@H]1C 1749220093 AYIINSVMBJYRTA-QAPCUYQASA-N 448.549 1.139 30 10 IDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1749502056 MUQZQQHEZQCLAN-UHFFFAOYSA-N 428.537 1.652 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749744721 OPMQRBFNAMWJLD-ARFHVFGLSA-N 445.611 1.192 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1749830209 GLHYEPJIBOHZJO-DLBZAZTESA-N 447.565 1.006 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1751094323 HYMVVRPZOUWWOC-YJBOKZPZSA-N 439.520 1.174 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1760181539 XBGGWFZDZDVWGK-LJQANCHMSA-N 429.546 1.401 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187586 KGYYUMZMASULEI-RTBURBONSA-N 435.594 1.632 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1760233219 RNEKUARZMUCTAM-UHFFFAOYSA-N 442.545 1.569 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760245859 NFSRZLFWXYXTMR-LSDHQDQOSA-N 445.483 1.429 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760275909 MSSMXKCZWGEFNS-UHFFFAOYSA-N 449.584 1.584 30 10 IDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760308336 ASBARMWBOQXYTC-UHFFFAOYSA-N 441.374 1.558 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N(C)C 1760339857 YYNGEZHUYQEPOT-UHFFFAOYSA-N 431.566 1.810 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@H]2C1 1760352434 WKVINZPKYKWLIF-LJQANCHMSA-N 428.493 1.967 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(F)cc3C2)nnc1[C@@]1(OCC)CCOC1 1760528429 BVUZQAREQIEOQO-JOCHJYFZSA-N 429.496 1.934 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H](C)C1 1760555018 UQMIVBGESUZOKW-ARFHVFGLSA-N 430.596 1.263 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1765004320 HWOYBNVEXHRIRB-XZOUCZQKSA-N 427.509 1.177 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1OC 1767748551 GEDBMHQRWJKNMQ-RTBURBONSA-N 426.521 1.831 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1769415027 BDBCOIRSGORUIZ-SFHVURJKSA-N 426.546 1.865 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 1848613245 NYBUYVUDLSEROA-FQEVSTJZSA-N 441.557 1.623 30 10 IDEE CC(C)N(CC#CCNC(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)C(C)C 1850013754 CSBHHYATAAOVHT-UHFFFAOYSA-N 440.532 1.334 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)nc1 1851946185 NDHNFTJWZSLFRB-SFHVURJKSA-N 437.475 1.811 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2=O)cc1 1853939854 HHEQDBLUEMTBHD-UHFFFAOYSA-N 429.473 1.831 30 10 IDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)[C@H]1C 1854752135 XTBJIZAMJUBHNX-OAHLLOKOSA-N 425.576 1.784 30 10 IDEE COC[C@@H](C)OC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1859014089 YESJZOXPTWJRKM-OAHLLOKOSA-N 445.497 1.981 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](CCC)C(=O)O)c(C(=O)OCC)c1C 1860760978 KVMOMYGJGCKYSN-LLVKDONJSA-N 440.474 1.884 30 10 IDEE CCCCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN(CCO)CCO 1870512033 OEQCABPIGKVLPC-UHFFFAOYSA-N 439.597 1.899 30 10 IDEE C#CCOc1cn(CCN(CC)CC)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871008007 CAGVYVYJSOIZSA-UHFFFAOYSA-N 432.546 1.462 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 1890418512 GNBOLOYKDMFJRC-UHFFFAOYSA-N 441.544 1.775 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 1899543724 PPKROVJAJZHHHG-WTNCMQEWSA-N 432.348 1.228 30 10 IDEE Cc1cc(C#CCCO)sc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2100785518 BPZDTZRIIRTVRA-UHFFFAOYSA-N 432.523 1.506 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CO 2216871316 QAJOCIITBSJQFI-KYHPRHEASA-N 437.537 1.495 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OCc2ccccc2)C1 2243389015 PWYGYBYEVVUOFD-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2247922910 PKKNVNQCRWBECV-VHSXEESVSA-N 431.245 1.430 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255632426 MVPUGDWNTARUNM-HIFRSBDPSA-N 432.330 1.790 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2255649267 IHRNAQRTSMKDBG-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN(Cc2ccccc2)CC1 2255697136 DYDMQNIVLVYUON-UHFFFAOYSA-N 425.342 1.462 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2255852762 IKFBRUQGKFPWNT-PZPWOCDFSA-N 440.346 1.583 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CC[C@H]1C2 2320550365 BWHUNWASVUHZIG-YEJXKQKISA-N 432.330 1.981 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2323148980 XTIWACWWQALVTP-PWHSHALESA-N 444.532 1.833 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2334272486 QICNYRNQOKIQDF-MJBXVCDLSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2351705548 XURQUSTZYOSABC-OWCLPIDISA-N 449.357 1.663 30 10 IDEE COc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C#CCN 2365321661 YILXWSOIIRVOGI-UHFFFAOYSA-N 427.482 1.433 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1O 21316805 TVXHEHNJEHPPFW-AUEPDCJTSA-N 445.480 1.700 30 10 IDEE CCOc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(C#N)s3)C2)nc(C)c1F 140654359 NAIWJSDALLQSJO-BUXKBTBVSA-N 429.481 1.374 30 10 IDEE in-vitro N#Cc1ccc2ncc(CNCc3ccccc3CS(=O)(=O)N3CCOCC3)n2c1 238026452 MAGHMGWEHLIYJI-UHFFFAOYSA-N 425.514 1.658 30 10 IDEE Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 431532059 WZZDULZIQFCYDJ-UHFFFAOYSA-N 425.557 1.932 30 10 IDEE Cc1nn(C)c(C)c1[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 434239117 HHLIFNAKXUJPQD-ZBEGNZNMSA-N 443.451 1.995 30 10 IDEE C[C@H]1CN(c2ccc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cn2)C[C@@H](C)O1 443091595 FEPIYNVLRFYOSD-OKILXGFUSA-N 431.474 1.954 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(cccc2OC)C1 460808444 IXUMRZMKDKBQNK-IBGZPJMESA-N 447.561 1.758 30 10 IDEE Cn1cc(N2CCC[C@H](NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)C2)cn1 466046121 WVOPAROEIWBBET-KRWDZBQOSA-N 447.547 1.960 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NCCOC)n(CC(C)C)c1=O 478730281 AFTKZFKOXXHHJU-UHFFFAOYSA-N 431.533 1.533 30 10 IDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 506028680 XLNAPTBTLSOMFF-UHFFFAOYSA-N 430.983 1.860 30 10 IDEE COCCNS(=O)(=O)c1cccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 512734645 KRXVGFXUVJTVAD-UHFFFAOYSA-N 431.489 1.970 30 10 IDEE N#Cc1ccc(N2C(=O)C(SCc3ccco3)=C(N3CCN(CCO)CC3)C2=O)cc1 526692863 AJKHJLDORLHBGV-UHFFFAOYSA-N 438.509 1.779 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NCCN(C)C 536164407 BXCGPGMYQDNOJB-HNNXBMFYSA-N 434.484 1.948 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 543978755 CGCOBBFRPYNPMP-OAQYLSRUSA-N 449.559 1.700 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CC#CCN1CCOC[C@H]1c1c(C)nn(C)c1C 551396201 RWVMWTWUQLQVLD-SZPZYZBQSA-N 440.592 1.837 30 10 IDEE CS(=O)(=O)NCC1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 557469750 KIGKHEMWSGQMRV-UHFFFAOYSA-N 427.548 1.165 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCN(CC(=O)N(CC)C[C@H](C)C#N)[C@@H]2CCCC[C@H]21 584417043 JARACGDETMUGCS-GXRSIYKFSA-N 444.624 1.932 30 10 IDEE Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 585471218 REQJXMACDFHSHR-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE COc1ccc(C#CCO)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703981627 SKRGZOGLGWIDCI-UHFFFAOYSA-N 428.466 1.467 30 10 IDEE C[N+](C)=c1ccn(/C(C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)=C(/S)NC2CC2)cc1 728555088 BGCJXDIZBYRGSL-UHFFFAOYSA-O 433.579 1.667 30 10 IDEE CO[C@@H](C)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140531 XFJAMZMLOPFGDX-MAUKXSAKSA-N 431.562 1.983 30 10 IDEE N#C[C@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1nnc2n1CCCCC2 732496459 WABXFNDOJQNKJV-YLJYHZDGSA-N 432.484 1.656 30 10 IDEE N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCN1C1CC1 732648317 DDBSPFTZIIUXOC-SDQNTSPESA-N 428.558 1.898 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732650222 JIBRZKZSGWNBGN-IBGZPJMESA-N 446.573 1.685 30 10 IDEE N#C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732651034 RAMCMSVOUOHKES-HXUWFJFHSA-N 430.574 1.993 30 10 IDEE N#C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)CCN1C1CC1 732651919 JXXQSDYFWPVLOA-FGZHOGPDSA-N 432.528 1.311 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(-c3cnn(CC)c3)c2=O)cn1 735069394 UFABNNRVKSPIEK-UHFFFAOYSA-N 438.557 1.840 30 10 IDEE CCOc1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 742693306 DESOKVRGZGHEPO-GFCCVEGCSA-N 430.486 1.640 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCC[C@@](O)(c3nccn3C)C(F)(F)F)cc2C1=O 747161940 FXTOTYAMHHYPBY-LJQANCHMSA-N 436.390 1.772 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 751920617 BJMVYOOPMMEBNC-RISCZKNCSA-N 430.465 1.711 30 10 IDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 757810927 QVIPLAKNUNHLCP-FGTMMUONSA-N 432.587 1.456 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CCCCC1 760405830 ONDLAYFWFJBCRF-UHFFFAOYSA-N 432.502 1.672 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCc2ccn(C)n2)C1=O 760453626 HLPYVUNSSZGEJG-GOSISDBHSA-N 446.552 1.801 30 10 IDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCCC1 765849646 ZDXCEJJWUKUVJY-UHFFFAOYSA-N 449.548 1.843 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cc[nH]n1 770836411 WSJDXQUJHJKZIC-HUUCEWRRSA-N 444.492 1.019 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C2CC2)C1 772597816 BZJIBLDOECVENJ-ZDBRSUKYSA-N 433.509 1.696 30 10 IDEE Cc1scc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 773617993 WZUYLSJBBIDSOW-UHFFFAOYSA-N 447.538 1.927 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CC1 779620694 QXQDIROMRFIEAH-FQEVSTJZSA-N 434.544 1.619 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCOC3)c2=O)cn1 781662071 VCCVOEFMOIRAOQ-MRXNPFEDSA-N 440.569 1.815 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn(C)c4ccc(F)cc34)CC2)o1 796375416 HLCTVKLAADLMPP-UHFFFAOYSA-N 425.420 1.991 30 10 IDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802612262 DZEHMTKLBJARRA-IAGOWNOFSA-N 436.468 1.712 30 10 IDEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 803181550 HUOFGTMQWOINRU-AWEZNQCLSA-N 443.558 1.731 30 10 IDEE NS(=O)(=O)c1ccc(C=Nn2c(S)nnc2[C@@H]2CCCO2)cc1Br 807958292 SIAXIHQFATWQBR-JTQLQIEISA-N 432.325 1.710 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cn(CCO)nc2C2CCOCC2)C1 856675611 AYDLUYRRIINOGM-WBVHZDCISA-N 433.509 1.258 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCc1ccc(S(N)(=O)=O)s1 1135464198 CDVNPTKYALYMSF-UHFFFAOYSA-N 430.305 1.725 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccccc1)c1ncon1 1143957166 FVYRPDMNFGXSMJ-KRWDZBQOSA-N 439.497 1.989 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1146248247 WGAJHDCXQQHATF-UHFFFAOYSA-N 427.548 1.169 30 10 IDEE N#Cc1cscc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1150810383 HAQGXBZAXJFMAJ-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C(=O)OCC)no1 1152129149 WERXUKQXBFMYKS-HNNXBMFYSA-N 448.501 1.765 30 10 IDEE C[C@]1([C@@H]2CCCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)COC(=O)N1 1176242881 HXXDRWBMNOPTSH-KKLQWCBXSA-N 443.523 1.745 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(Sc3ccccc3)CCCC2)CC1 1226696920 NDWNERWANVCEKS-UHFFFAOYSA-N 436.603 1.886 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccc(F)cc1 1252439718 NSABLKACKOCLRC-HXUWFJFHSA-N 430.505 1.940 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cccc(C#N)c3)CC2)cc1 1278549189 NCONJAUJHCKVCP-UHFFFAOYSA-N 442.541 1.378 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 1286350095 UYAGPGVNGTZPEK-FQEVSTJZSA-N 443.573 1.896 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1286398276 WWMCTXFSNMXNSN-ZDUSSCGKSA-N 440.476 1.217 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286475427 ZVSBEEYLFGUODU-FQEVSTJZSA-N 439.608 1.875 30 10 IDEE C#CCSCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@]1(OCC)CCOC1 1286512824 OGVNTUWCQVDIID-NRFANRHFSA-N 445.593 1.805 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1286766650 USVDDYNOWXSSSV-UHFFFAOYSA-N 437.504 1.620 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)C1 1286807919 HKXFCTIGACGHIU-FUHWJXTLSA-N 445.545 1.484 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286824425 CTIAPBGSDUXYSO-BXWFABGCSA-N 428.555 1.145 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@]2(CCCOC2)O1 1291225530 SGYXONGJSJROGU-FDDCHVKYSA-N 441.532 1.990 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2COCCO2)c1 1300334584 QYJLVYBCUMXRRP-UXHICEINSA-N 439.516 1.991 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)CC1 1300410736 QCORBRYILXDDBE-UHFFFAOYSA-N 438.580 1.634 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300488551 SNTALTWDNQRZND-HNNXBMFYSA-N 429.531 1.175 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1300657743 RUPMRQCMVIVTLS-UHFFFAOYSA-N 437.953 1.720 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2CCN(C(C)=O)CC2)CC1 1300712911 XYUVAPYEGFVJDR-UHFFFAOYSA-N 428.581 1.800 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(C)cn2)CC1 1300725428 HIUJFUCYNGVACX-LJQANCHMSA-N 425.537 1.343 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCOC)CC1 1300755262 PHXXKRHCTXZDTQ-UHFFFAOYSA-N 442.589 1.994 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301514571 KNHJMUZQDZMVDP-YOEHRIQHSA-N 428.468 1.013 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(-n3cccn3)c2)C1 1301535296 KNDDWAJBAUGAKL-GOSISDBHSA-N 436.520 1.827 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1 1310837647 CNVPKQOMPSHNEZ-UHFFFAOYSA-N 436.534 1.907 30 10 IDEE CC(C)(C)OC(=O)N1CCCCC[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1313384796 DOHPNVAFWLZPJV-TWOQFEAHSA-N 440.566 1.746 30 10 IDEE CCCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1313491984 FVCSUMXKACOWCN-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H](C)CC#N)CC1 1313926699 FRDIXEVJWQKPOW-YRPNKDGESA-N 433.601 1.766 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)C(=O)NCC2 1316269291 CUFCIRYEKBELCW-QSFXBCCZSA-N 438.532 1.932 30 10 IDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1316541072 SBRKFHPLTHGDTA-VEGAHXMMSA-N 447.499 1.318 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCN(C)[C@@H]3c3ccc(F)cc3)CC2)o1 1324155827 AIKSXXGDXUSUGR-WIYYLYMNSA-N 426.496 1.677 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1358956068 ZLPIRONVPJTZKY-INIZCTEOSA-N 439.607 1.284 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358966348 NBBWZCUJWREABD-QUCCMNQESA-N 433.622 1.979 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)CNC(=O)C2 1359060492 WUGFLASNZNXGNQ-UHFFFAOYSA-N 427.578 1.613 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359091027 INYPDDOBCIDURG-QUCCMNQESA-N 427.553 1.948 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1359103122 KHHFWKCMFKSQCI-UWJYYQICSA-N 430.553 1.487 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1359240467 OWEAGSQHNZWEQN-ZWKOTPCHSA-N 435.550 1.621 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1359329138 ZTKXGTCORKIHOW-OAHLLOKOSA-N 428.518 1.084 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359332910 KEMAUJBFJOLHTC-GOSISDBHSA-N 425.599 1.378 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCc1cccc(CS(N)(=O)=O)c1 1442982885 AHBJRBVLDOVAOL-UHFFFAOYSA-N 438.303 1.804 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccco2)s1 1445628644 OECRPKKMFWPKIL-CQSZACIVSA-N 438.527 1.848 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2cc(O)n[nH]2)C1 1452729654 RUFRDNRLWLEQQO-CJNGLKHVSA-N 431.518 1.585 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(N4CCOCC4)CC3)C2=O)cc1 1454249639 UFBNDKRNNAACPH-IBGZPJMESA-N 425.489 1.086 30 10 IDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)C2CCN(C(=O)C(F)(F)F)CC2)C1=O 1458738912 YSONOWZWELCJLE-IBGZPJMESA-N 436.390 1.695 30 10 IDEE C#CC[C@@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 1461812899 JRQYEYFVOSGENO-QGZVFWFLSA-N 444.557 1.399 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3c(CC#N)cccc3C2)cc1 1461953765 ABGGRKIKAVXOMH-UHFFFAOYSA-N 440.525 1.916 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)CC2=O)cn1 1471647804 IMIVBVUHQSPLAS-MRXNPFEDSA-N 446.357 1.967 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1499949351 HMWFLKSNXYJXRQ-QHCPKHFHSA-N 439.564 1.626 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1503412034 DSXJUTQHFFZYTA-SFHVURJKSA-N 446.602 1.489 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507579414 WDEZXAOPUFMBJW-OALUTQOASA-N 432.569 1.158 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C 1507701055 WMMRBJJTWFCELO-UHFFFAOYSA-N 438.463 1.873 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1 1507710049 BXWUJSDFGYHOCW-UHFFFAOYSA-N 435.536 1.320 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCC[C@H]2C)CC1 1507726107 FFDZFWAEHPQGCX-VGOFRKELSA-N 442.589 1.576 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1507739324 PBZLYSGTOVDFHZ-OALUTQOASA-N 440.548 1.644 30 10 IDEE C#CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507758644 RIHFIWFOMIJDJY-FIKGOQFSSA-N 433.578 1.400 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507801367 UQBHBWXMUKBUNS-RVDAZCDBSA-N 446.596 1.756 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1508094602 HFNCZLXDIUSOLA-UHFFFAOYSA-N 426.521 1.868 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508147400 JTOOHHMDZZUPPQ-KRWDZBQOSA-N 448.593 1.261 30 10 IDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1511883837 AEMYGGJMSGSISG-SFHVURJKSA-N 446.506 1.536 30 10 IDEE C[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1512535030 AKJRJOXGHTUORO-PMPSAXMXSA-N 430.534 1.671 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1515891923 HPFQEYZZODUTPF-ROUUACIJSA-N 427.528 1.839 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccn3nnnc3c2)cc1 1527666089 QBHCKSBSDYRHLB-OQKWZONESA-N 427.490 1.970 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1539094102 KJPVMYRBKXJBLJ-CABCVRRESA-N 440.570 1.405 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1539334039 SOBMGALOFQFJDX-JOCHJYFZSA-N 442.541 1.178 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1539751829 VVRZUBWWBMJBTR-QGZVFWFLSA-N 425.555 1.360 30 10 IDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1540054726 VLWFCKNVFBLDGB-UHFFFAOYSA-N 436.534 1.524 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(c4cnccn4)CC3)C2)C1 1540116121 WPHLNWGSRRGVIS-PSCUFVCCSA-N 426.521 1.912 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)CC1 1540864110 PHZFWCAXBLFFRJ-UHFFFAOYSA-N 438.351 1.579 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCS(=O)(=O)CC 1540864448 AFOPVZOGKBOBRU-UHFFFAOYSA-N 431.518 1.864 30 10 IDEE CC(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1541761705 CNKLLUPVDJHCOI-KRWDZBQOSA-N 440.570 1.166 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C1 1555601188 KMSBSABWDVCWTK-QFBILLFUSA-N 440.548 1.955 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCOCCCO)c1 1555987953 UXAGVHSLUYDVOI-OAQYLSRUSA-N 445.545 1.231 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)c2cnc(I)c(O)c2)CC1 1556822750 BLACMNFYCIDXOH-UHFFFAOYSA-N 435.225 1.621 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)nnc1-c1ccco1 1557897706 SKCIHUZWPUHTIK-PMACEKPBSA-N 429.502 1.718 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)s1 1558622132 TYPZFKTTWDGVFE-CYBMUJFWSA-N 434.499 1.096 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(O)Cc3ccc(F)cc3)c2)CC1 1559036770 WCHFIDBIZVDJGG-UHFFFAOYSA-N 435.477 1.710 30 10 IDEE CC(=O)N[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1cccc(Br)c1 1565629838 JWWUJSGPQXGKGF-FWWJWKNHSA-N 435.278 1.269 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1586960813 WHPMQLHIAHFCAT-UHFFFAOYSA-N 432.496 1.877 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 1587299827 AMJWEOITXGSPTJ-UHFFFAOYSA-N 429.292 1.772 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Sc1ccccc1 1587988703 AXZFKRSQSFAMDD-SJLPKXTDSA-N 449.602 1.861 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1588045361 JJIJJHIQBRNWAZ-SFHVURJKSA-N 448.614 1.996 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CC1 1588205951 YIJHORDVBJFALT-UHFFFAOYSA-N 426.498 1.714 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncn(C)n1 1588561000 YEODHSPZSBQAHU-PXNSSMCTSA-N 439.495 1.958 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(OC)C1 1595823867 TYUSMHZBFZVHMJ-FQEVSTJZSA-N 436.582 1.746 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1595838532 WHCSUSYVNDTLIG-UHFFFAOYSA-N 446.625 1.781 30 10 IDEE CC(C)Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603589787 XYLOQDHEALFQLI-MVZUJROASA-N 429.525 1.095 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1Cc1ccc(C#N)o1 1611684115 GXRXBIJGXWNNTF-GDBMZVCRSA-N 448.549 1.654 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1612942933 GYHILOPFDANADM-SJTPKYKMSA-N 444.536 1.702 30 10 IDEE CCN(CC#N)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1615354260 JWAGNOPBUJRPLM-YBEGLDIGSA-N 432.527 1.578 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1615919333 UJLHZONXVPXLNP-UHFFFAOYSA-N 440.552 1.570 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CCC1 1615985327 RWTIVPOVPPYSEJ-VQTJNVASSA-N 434.606 1.870 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCSC1 1616484828 BLCICVMDKRXKFR-KKSFZXQISA-N 445.545 1.853 30 10 IDEE N#C[C@]12CN(C(=O)c3cnnn3-c3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1618171834 OVRIZWOQYCEDSU-MEDUHNTESA-N 436.291 1.040 30 10 IDEE COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)ccc1C 1619094945 GTYXUEWRLBHASF-AUUYWEPGSA-N 436.513 1.696 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619627347 JUKUUQQKNDHNQK-IEBWSBKVSA-N 439.495 1.890 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@H]1OC 1620147869 CTVOMZZITUZKDO-XQBPLPMBSA-N 443.504 1.384 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1626983481 RQVSJJZBDJTAAG-UHFFFAOYSA-N 437.518 1.556 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2ccc(Br)cc2)CC1 1636480416 QHBVEPSYWIRSMR-CQSZACIVSA-N 428.352 1.240 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1636810797 YYFFQBWCJCINDF-UWIFEVILSA-N 448.545 1.882 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CC[C@](O)(CC#N)C2)C1=O 1638968245 LYACXJHRDVYWJH-ZWKOTPCHSA-N 435.278 1.093 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@](C)(C#N)C1 1647991022 KVTNTDCWALZBKS-DOTOQJQBSA-N 444.351 1.893 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(CSC)n[nH]1 1652087352 PJTAGXFZVRTKTD-CYBMUJFWSA-N 436.563 1.581 30 10 IDEE C=CCc1cc(CNC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc(OC)c1OC 1677967162 SUJODPHPTHXJOF-KRWDZBQOSA-N 437.504 1.948 30 10 IDEE C#C[C@H](NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)c1ccc(Br)cc1 1682356551 ISAGORRXJHPGPT-HNNXBMFYSA-N 431.294 1.861 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 1683366727 AOZOILJGVIZZDR-UHFFFAOYSA-N 428.533 1.712 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)C1 1686054950 DZRIJQXWPSAWTN-IPMKNSEASA-N 444.536 1.341 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1690098505 LIOOATIJCZPZRH-MRXNPFEDSA-N 448.545 1.483 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705530666 QKICEYMHHDOZPJ-QGZVFWFLSA-N 432.550 1.317 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705563517 YYFNFDKKRCDIFX-FQEVSTJZSA-N 449.540 1.730 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1CC 1705573000 WBQTZRGREMLBKF-UHFFFAOYSA-N 436.907 1.594 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1CC 1705575323 GZLRCMDBIFSDQK-UHFFFAOYSA-N 435.488 1.703 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1705595825 HWJHUKJMECEFBE-XDHUDOTRSA-N 446.511 1.195 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1705627557 JUESRLXJDQDVHM-FQEVSTJZSA-N 433.516 1.608 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705641638 NMGXLTKPGJJXSC-RBBKRZOGSA-N 439.560 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCSC2)CC1 1705644329 MXMRZFVEJKKDIZ-INIZCTEOSA-N 446.621 1.915 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(C)n2)CC1 1705644455 RBUOVCVGGNUTDH-UHFFFAOYSA-N 443.577 1.390 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2CCCCC2=O)CC1 1705647360 FXLYPSWQZOBJNY-UHFFFAOYSA-N 426.565 1.914 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)NC)CC1 1705904518 RALKEDKZPSVPSN-UHFFFAOYSA-N 432.475 1.412 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1705918282 GERLQHRUYVFCLQ-YWZLYKJASA-N 436.509 1.415 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1=O 1706507111 GGFRFEXAQUPAAJ-HXUWFJFHSA-N 438.532 1.927 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1709185720 CBXDTUFIMFBJOV-NOVUIFNWSA-N 426.546 1.833 30 10 IDEE COc1cccc(C(=O)NCCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1711892604 UCGOFHYPBSIYSS-UHFFFAOYSA-N 446.515 1.618 30 10 IDEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722311969 PXXFGPYBGGEFAF-UHFFFAOYSA-N 449.519 1.093 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722333681 XSIXNTJMCGUYDJ-MDZRGWNJSA-N 426.473 1.564 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722364374 GCUPRKMPUCKPMM-IAGOWNOFSA-N 438.575 1.219 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1722372033 ZYPRJWCKKCHFOQ-SFHVURJKSA-N 442.545 1.332 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1722386930 BSJHUHMOLCWGSG-UHFFFAOYSA-N 435.532 1.159 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2cccc(C)c2)CC1 1722431173 MXHPUFPMEANESO-GOSISDBHSA-N 446.577 1.031 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722439449 CEQKWYXJGJXYPD-UHFFFAOYSA-N 437.592 1.254 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCSC2)CC1 1722446491 XYYQOQJQANLYSP-MRXNPFEDSA-N 427.578 1.788 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1722508997 LINIWZMHEGVRQN-XLIONFOSSA-N 446.577 1.327 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1722665628 NTKZESFQZVOYHE-HNNXBMFYSA-N 430.475 1.858 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2OC)CC1 1722698465 ZQVGHAZELINEPL-UHFFFAOYSA-N 433.516 1.978 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722700832 WLFQXYFCCKOEQU-QHCPKHFHSA-N 436.491 1.803 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)[C@@H](C)CC)C1 1722719453 UMGOCKNCERXTKO-OKZBNKHCSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCc2ccccc21 1722726643 HKOQZYJNYFIVBB-ZWKOTPCHSA-N 429.546 1.954 30 10 IDEE CC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1726814611 OULGAPBVBUTVTD-XMSQKQJNSA-N 425.537 1.926 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)F 1740532968 NKZYEUURGYLPAI-CHWSQXEVSA-N 442.492 1.433 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1740549060 DGHSJMPUDFKHBN-MJGOQNOKSA-N 442.589 1.990 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1740551855 WCPLOPXKAPSZLK-CVEARBPZSA-N 448.568 1.817 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740598341 NASZFQWAHOWXGP-ZCNNSNEGSA-N 444.580 1.158 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740624383 GBJFCDLLOMZPIK-ROUUACIJSA-N 431.587 1.786 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1740642391 WDVVIUJRVAGKJZ-QFIPXVFZSA-N 446.555 1.547 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740744846 GQHHMCWFDDKMTR-XJKSGUPXSA-N 425.375 1.738 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC(C)C)CC1 1740750941 VWVVVXPRVOBRIT-VQTJNVASSA-N 448.612 1.945 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1740759030 FARYRFFPHAYSIX-HKUYNNGSSA-N 425.599 1.930 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740809439 MIRGXANRYJRDHD-RDTXWAMCSA-N 430.944 1.476 30 10 IDEE C=CCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1740949639 NVIYCOIZZLQRNG-NRFANRHFSA-N 429.525 1.550 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1740976708 ZKEXRRKKEBZEBL-IBGZPJMESA-N 444.561 1.926 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740991647 AUKNKQLRSZMZFO-SJORKVTESA-N 439.582 1.268 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1741129985 IZRBIUFVZVERJK-UNEWFSDZSA-N 427.484 1.308 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)c1cc[nH]n1 1741474028 BKSXBXLJBJTYNZ-UHFFFAOYSA-N 448.535 1.223 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1743385127 GKEVCQQNAALWQR-JLCFBVMHSA-N 426.521 1.942 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748818032 UVFXHRUYCXZING-MOPGFXCFSA-N 429.546 1.437 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749251387 DKVREGLHSYRDDY-GFCCVEGCSA-N 443.961 1.890 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1749303730 OAKYBWVWWIFWJK-HOTGVXAUSA-N 428.580 1.161 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1749465580 UFWADOOQRXPANW-LLVKDONJSA-N 429.344 1.716 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC 1749734550 KKQBLBMZMCRPRW-HNNXBMFYSA-N 443.570 1.643 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749764916 BQDBPCJQHGOYAU-YVSFHVDLSA-N 437.566 1.856 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C1 1750059236 CEXMGBFREIDBEQ-IBGZPJMESA-N 426.521 1.831 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCOC2=O)CCO1 1750385812 AWOXBUVEBVXZGF-MRXNPFEDSA-N 427.421 1.424 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1750586331 VMTPJOPIMVNFDM-XZOQPEGZSA-N 438.532 1.995 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760187029 SPXKPWUBXYCWGL-SFHVURJKSA-N 437.610 1.214 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCC1 1760197152 RFYZODRZISCPGZ-UHFFFAOYSA-N 425.558 1.907 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1760249115 HURFJDSXZIRXIF-QGZVFWFLSA-N 445.545 1.295 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCc2n[nH]c(C)n2)CC1 1760254483 YCJXBRVTBBFGHU-INIZCTEOSA-N 438.511 1.982 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)COC)CC1 1760285214 YSEXVRZFEFUFNI-UHFFFAOYSA-N 445.593 1.238 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760359019 BAADUVGTWZUDEV-SFHVURJKSA-N 427.553 1.796 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1760359118 CIKFWJOOFCCLSJ-IBGZPJMESA-N 427.553 1.934 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(C)cc1 1760522035 KJPPCWSFIMLSIA-KRWDZBQOSA-N 447.561 1.306 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1C(C)(C)C 1760528358 AGUMSYYCNQLJSM-UHFFFAOYSA-N 432.554 1.584 30 10 IDEE Cc1nnc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762508401 ZOENIJCUEAYKHB-XKXPVHLMSA-N 435.532 1.824 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1767385396 IVKFKIDBLQEHMT-APOCOGJHSA-N 432.525 1.549 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)SC)CCO1 1767726157 CVXVEQLYPZBZBL-RHSMWYFYSA-N 430.534 1.431 30 10 IDEE Cn1cc([C@@H]2CCCN2c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)cn1 1769010335 AROBTZWGKMTJDL-SFHVURJKSA-N 440.533 1.441 30 10 IDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1769068111 KLJWYXCEMLKIRZ-HSALFYBXSA-N 427.505 1.884 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCCC2(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1770020823 QSJHWEXLZWBMNQ-UHHPSXQGSA-N 432.525 1.907 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1770361915 GEXVAXBRKFJAQV-QGZVFWFLSA-N 432.506 1.080 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCCN(C3COC3)CC2)[C@@H]1c1ccc(C#N)cc1 1849020217 MONOIZIQOPTOLC-FCHUYYIVSA-N 442.585 1.885 30 10 IDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@H]1CCn2cnnc2C1 1849694598 ZZMNNQQKXVOKJR-PMACEKPBSA-N 426.517 1.892 30 10 IDEE O=C1Cc2cc(S(=O)(=O)NC(=NOCCN3CCOCC3)c3ccccc3)ccc2N1 1853488497 CXLNINOEKMQDPX-UHFFFAOYSA-N 444.513 1.170 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCc2nncn2C)C2(C)CCN(C)CC2)c(C)c1 1853530412 PCEUFCZSIWBHSW-UHFFFAOYSA-N 434.566 1.972 30 10 IDEE CCOc1cccc(C(=NOCCN(C)C)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 1853556367 XJZPBRXDENDFGX-UHFFFAOYSA-N 446.529 1.798 30 10 IDEE CN1CCC(=NC(=O)c2c[nH]c3c(F)cc(I)cc3c2=O)NC1=O 1866447308 ZVVWNOCIHXAIFS-UHFFFAOYSA-N 442.188 1.856 30 10 IDEE O=C(NCCCN1CCOCC1)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933700 MRYLQNPQPKIJRN-FQEVSTJZSA-N 442.541 1.305 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(N)=O)cn1C[C@@H](c1ccc(O)cc1)N(C)C 1870670147 RTCRMILANMMFPS-NRFANRHFSA-N 440.544 1.895 30 10 IDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625707 IFYOTKJOGTXCRH-UHFFFAOYSA-N 429.492 1.050 30 10 IDEE CC#CCN(CC(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900620028 GKRGSSWSOQYZNY-UHFFFAOYSA-N 425.526 1.687 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 1985010404 BMUHMRRMOPTCFX-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCOCCC12CN(C(=O)OC(C)(C)C)C2 2006263579 SUUSELYTWICKNI-UHFFFAOYSA-N 425.345 1.937 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2251305685 CWBXOJWXTPKCJI-MSAJCJOTSA-N 426.319 1.023 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2255526464 UDLRRAGRRICOMZ-CQSZACIVSA-N 438.305 1.740 30 10 IDEE Cc1c(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255540886 TUARDRGCFVIZTD-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255634643 TUENJVWNIDQASA-OKILXGFUSA-N 434.346 1.988 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2255653177 FPWYYTCVVWWYHF-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE Cn1nc(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2255839374 UZQLSSHQFSCJEK-UHFFFAOYSA-N 434.346 1.754 30 10 IDEE C[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255839601 XTPWBUGCHHKQSH-CYBMUJFWSA-N 437.350 1.347 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258225475 JKBXHUPEBKKQMI-NSHDSACASA-N 430.236 1.382 30 10 IDEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267093904 YZYHGKZOYPKHID-HSZRJFAPSA-N 440.353 1.730 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267121368 WYUDFSYUQBOMAM-CABCVRRESA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]21 2267144847 BSMRAYRMEGNCRX-CABCVRRESA-N 448.329 1.169 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267590988 VVOQQXIUGRFUBR-DEOSSOPVSA-N 437.349 1.748 30 10 IDEE CC(C)[C@@H]1C[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OCc1ccccc1 2370731326 IAPMXJNVVQIADV-NNMXDRDESA-N 434.558 1.693 30 10 IDEE N#CCCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 13047341 QVQLPSOWWHUPGQ-AWEZNQCLSA-N 444.307 1.175 30 10 IDEE COc1ccc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(Br)c1O 169907684 PUOAATKRDSBVAN-REZTVBANSA-N 442.247 1.910 30 10 IDEE C=CCCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 447904002 JEBAORZEMDNYJP-UHFFFAOYSA-N 438.550 1.632 30 10 IDEE CN(C)c1ncn(-c2cccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)c2)n1 473380868 TYWZAQKIKNSBOL-UHFFFAOYSA-N 439.501 1.778 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)o1 480934041 JMHLGKRGVNQREO-UHFFFAOYSA-N 446.488 1.292 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C(=O)CC#N)CC1 503629129 OWCDKHJOPUEQAA-NRFANRHFSA-N 442.541 1.727 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)Cc2cccc(F)c2)cc1 503706984 ZARLJABQTVQKHM-GOSISDBHSA-N 426.473 1.896 30 10 IDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 509413491 GZZJLORIVLJVBV-AWEZNQCLSA-N 447.483 1.740 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 512848816 KCAFTQASOZYPPT-IBGZPJMESA-N 439.497 1.984 30 10 IDEE COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1C#N 515098686 HFUQDFVUEDTRIA-UHFFFAOYSA-N 432.502 1.889 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1-c1ccccc1C#N 516372488 MJUHBHWRCCWEEA-UHFFFAOYSA-N 447.545 1.595 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 524749287 IETAZWFURVIQAO-UHFFFAOYSA-N 448.504 1.079 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C1CCN(c2oc(C)nc2C#N)CC1 530287963 MULNRHORSHXFDR-VQHPVUNQSA-N 430.461 1.023 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)c1 532194937 IZUMGZVLSWNHOG-UHFFFAOYSA-N 435.505 1.965 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CC(=O)OC(C)(C)C)C3)CC2)o1 533483685 YVULWLFCNQJVAT-QGZVFWFLSA-N 431.537 1.947 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C(C)C)cc1 561218343 CCFYSJPCGBOZSU-FQEVSTJZSA-N 441.557 1.913 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCCSCc2ccccc2C#N)C1 561421518 LTPNFZGORGVXBY-QGZVFWFLSA-N 425.580 1.361 30 10 IDEE COc1cccc(-c2nc(=NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)s[nH]2)c1 589387417 ZUONHOHVDBIHBJ-UHFFFAOYSA-N 429.483 1.424 30 10 IDEE N#C[C@]1(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCSC1 603885320 FIAVHBLKEAFJDN-OAHLLOKOSA-N 446.348 1.318 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 610596520 GWIOYZYLPAHILK-LHSJRXKWSA-N 428.468 1.249 30 10 IDEE C#CCN(C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 729335364 MNIXQFYMERHADT-IBGZPJMESA-N 432.542 1.343 30 10 IDEE CCCC(=O)NCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 729889236 RBWFXJYQSAKKFC-KRWDZBQOSA-N 434.518 1.425 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730141414 JXOOBLATCBWRFA-CJNGLKHVSA-N 437.541 1.350 30 10 IDEE C[C@@H]1CN(Cc2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)C[C@@H](C)O1 737597654 FEMDZHSLEVMTJE-HZPDHXFCSA-N 442.541 1.973 30 10 IDEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 741060580 MUCNYUALYFHBKY-UXPDKRSESA-N 442.563 1.398 30 10 IDEE COC(=O)c1ccsc1N1CC[C@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 745098625 FJNWGHDSSGPGQL-ZGTROFRASA-N 433.442 1.100 30 10 IDEE COc1cc(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)cc2c1OCCO2 745200179 ATRDZFCWINBQDL-UHFFFAOYSA-N 433.486 1.933 30 10 IDEE C#CCN(C(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[C@H]1CCS(=O)(=O)C1 751274493 VMKLSUGZHDODDM-ZWOKBUDYSA-N 436.530 1.365 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)cc1 758584323 PXWAEVHQABQAMW-KDOFPFPSSA-N 441.492 1.834 30 10 IDEE CC(C)CN(CC(F)(F)F)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767631732 SCESDXFPBCXGBM-ZDUSSCGKSA-N 449.451 1.815 30 10 IDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 770276144 URSAHJWGPPQGBN-ZFWWWQNUSA-N 441.481 1.958 30 10 IDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 790020392 ADOYOUKXQBXTJO-CDHOEZGXSA-N 436.559 1.211 30 10 IDEE C#CCN(C(=O)CCc1c(C)nc2c3cccnc3nn2c1C)[C@H]1CCS(=O)(=O)C1 795470001 QFJGTXUDOPWVCO-INIZCTEOSA-N 425.514 1.476 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 798975510 NHYMFEKSWFRTEI-UONOGXRCSA-N 429.481 1.055 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C#N)ccn3)CC2)cc1C 803851000 XDEIETOZMWLNDN-UHFFFAOYSA-N 442.497 1.260 30 10 IDEE CC(C)C(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809125137 HHPHFYPWOKHIJT-CYBMUJFWSA-N 446.298 1.912 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)CC1 810049648 YIHXFHBHQPYWMK-RXVVDRJESA-N 434.378 1.972 30 10 IDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(OC)c1Br 1134275692 MQZQOQYXDKPNDT-ZBEGNZNMSA-N 429.292 1.477 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 1142331601 GKMJOEBJTAGYGT-KRWDZBQOSA-N 427.302 1.970 30 10 IDEE COC(=O)Cc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1142471213 HLQVARICQYHKPI-LBPRGKRZSA-N 433.461 1.997 30 10 IDEE C[C@@]1(c2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cc2)NC(=O)NC1=O 1161802036 GVYLLYJZBQDUPU-QFIPXVFZSA-N 436.424 1.259 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1164659691 PUFLWFRNLHTFGS-ZWKOTPCHSA-N 442.541 1.613 30 10 IDEE CNC(=O)c1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 1167374918 CASDCZOWRPWVNV-GFCCVEGCSA-N 430.486 1.511 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286483998 FLWMZKMRBZMFTE-RXVVDRJESA-N 443.523 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC[C@H]2COCCO2)CC1 1286494454 PEJGQUNQJYMHMO-IBGZPJMESA-N 443.573 1.702 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCCO 1286518493 WMGZUXIBHSHJFZ-OAQYLSRUSA-N 432.546 1.740 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286785882 SPJPTIPHSMKIDC-UHFFFAOYSA-N 448.531 1.763 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)C1 1286799755 ZYIYMXZWJCJKMM-KRWDZBQOSA-N 437.566 1.120 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)C1 1286800795 RASDLLVWJOHZLF-RDJZCZTQSA-N 449.581 1.179 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1300603689 WWMFFWMSFOGYRR-NFBKMPQASA-N 432.613 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCC(C)C)CC1 1300711406 ZRKKUHROHNVIQN-UHFFFAOYSA-N 446.621 1.869 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCC2=O)CC1 1301259264 IWLGPAJJDODLLC-UHFFFAOYSA-N 430.553 1.584 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301594551 GSLAPGNTJJBNGC-ZIAGYGMSSA-N 430.490 1.959 30 10 IDEE C=C(Cl)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OCC 1302417731 AKUYDTZEQQSDEI-HNNXBMFYSA-N 446.957 1.618 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1302456685 WRTAQOVQTVDEJN-UHFFFAOYSA-N 428.518 1.062 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1302948193 AEEWGULEJXASII-SFHVURJKSA-N 436.564 1.985 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC2)C1 1304200361 JIFROMKGFOIZMF-UHFFFAOYSA-N 435.433 1.661 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cs1 1304653057 VDMDKMVNCGOIKB-ZDUSSCGKSA-N 438.579 1.312 30 10 IDEE COc1ccc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Cl)c1OC 1312759115 UPAKJLUSZLLOMI-SCLBCKFNSA-N 427.910 1.479 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 1358929918 KXRGJRLTHIHTKZ-OAGGEKHMSA-N 427.596 1.355 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358961472 ZWNABVRZRZEBDH-RDJZCZTQSA-N 430.534 1.177 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1358978172 FIUSVTVPXSCCGS-CQSZACIVSA-N 432.575 1.450 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@H](C)CC)C1 1359321670 KBLBREOPJTYCOK-BRWVUGGUSA-N 439.582 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)S[C@H](C)C1 1359334727 ORUSLKGUOFAZNL-HUUCEWRRSA-N 427.596 1.332 30 10 IDEE O=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc(C#CCO)c1 1441602870 LKZHNKPBVBBGAH-FQEVSTJZSA-N 428.510 1.418 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1448184081 BPVIBQXUHYAQST-IUODEOHRSA-N 430.324 1.534 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1450471069 KIOIFJRBZFKTTO-OAHLLOKOSA-N 431.543 1.203 30 10 IDEE N#Cc1cnc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)c(Br)c1 1458200217 HUDFQEFLWBPVLE-UHFFFAOYSA-N 436.354 1.771 30 10 IDEE Cc1ccc(O[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 1462991215 VXIPKUAMFOSINW-DCGLDWPTSA-N 427.320 1.922 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2=O)cc1 1467706574 IMIKBHLABANOKG-WAOWUJCRSA-N 447.413 1.586 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)c2csc(I)n2)CC1 1468537319 HPNVSIGTIFJVJW-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1 1472245409 NGKFPYPVBVDWOC-NXHRZFHOSA-N 433.530 1.868 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 1475618268 QAHHQFFUBCOJTR-UHFFFAOYSA-N 448.994 1.909 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)OC(C)(C)C)C3 1478284676 NAWSTGKYUWPEHB-QAETUUGQSA-N 427.567 1.874 30 10 IDEE C#CCN(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1479223283 XRPGNCJULWIVJD-YVSFHVDLSA-N 425.551 1.606 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 1503829372 BNZPBHIHDIELMY-IBGZPJMESA-N 432.575 1.699 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504857581 PPBHDRDVSXXBTK-UHFFFAOYSA-N 448.531 1.762 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C1CC1 1507521973 SMQGXBPVVJXMTN-VFNWGFHPSA-N 431.562 1.814 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507632364 ZPGUOCJFIBWACD-PLMTUMEDSA-N 429.546 1.518 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1507632993 RCJZKJXDQLVTFD-MSOLQXFVSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1507645884 HAEVBXQOWWXMFK-UHFFFAOYSA-N 439.541 1.571 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1507680200 ZKTUSEMAQKQWFL-AWEZNQCLSA-N 438.554 1.699 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507773645 UWLZXXAGTGAZLF-DNVFCKCGSA-N 428.581 1.717 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1507935647 SVTWAJSSGOGEKK-HRCADAONSA-N 432.612 1.794 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1507980736 IAWADTZUOLEUNA-HUUCEWRRSA-N 429.612 1.765 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1)C1CC1 1507992793 IZJDDRYBLDCDPF-LJQANCHMSA-N 447.561 1.306 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1508013834 RIMAJKBWMVYZLR-UHFFFAOYSA-N 434.541 1.888 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1508087841 FCANRGDPBOJQBE-ROUUACIJSA-N 428.541 1.524 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1508140262 LKMWANLUHGAHKK-TZMCWYRMSA-N 448.471 1.435 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1508170900 LDIDLWWUVMTLFR-UHFFFAOYSA-N 448.487 1.885 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1=O 1509409994 JMUDBRWZCFGQRM-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE C[C@@H](N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1)C(F)(F)F 1510142475 IOIATBGUSZVBSJ-DOMZBBRYSA-N 437.426 1.815 30 10 IDEE CN(CCC(F)F)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1517264897 XGAAESPVIWNTDY-ZCXUNETKSA-N 437.451 1.018 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1519571893 FDEALUDKTBMBGZ-UHFFFAOYSA-N 442.545 1.681 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1539038480 POHDXJNNNRRNLE-OAGGEKHMSA-N 439.582 1.941 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539075790 HMVGCCJNIALGAI-HSZRJFAPSA-N 435.532 1.882 30 10 IDEE C#CCN(c1nnc(CC)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539218793 DENPXXVINMQZNF-GOSISDBHSA-N 429.546 1.126 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1539272809 CEXSWYHJSLGTGS-UHFFFAOYSA-N 431.422 1.525 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1539405912 PPRSMCJUWXOJOS-JTSKRJEESA-N 436.520 1.558 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1539417878 XWNLQNDIEZGREZ-UHFFFAOYSA-N 445.951 1.857 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCN(C)C2)CC1 1539436122 KDEPLRHFLDUOKM-QFIPXVFZSA-N 444.967 1.429 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1539484664 YJXFEWQOWJTPCM-UHFFFAOYSA-N 438.507 1.974 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539643955 YJWAHMFGTLUGQY-BQFCYCMXSA-N 427.571 1.266 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539742475 DDSDVTLEPFZUFK-RXVVDRJESA-N 441.580 1.855 30 10 IDEE C=CCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1540021774 VLZZZDKYSWEESZ-QFBILLFUSA-N 427.571 1.367 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1540074428 YPRPQOPGHAJNFH-MRXNPFEDSA-N 431.566 1.509 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1540200556 CQWIMGCHBOMIFW-IEBWSBKVSA-N 437.610 1.836 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1540867821 JFEKHIXMYXVINH-UHFFFAOYSA-N 447.499 1.310 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540874385 FCXTZWYNQQGFRO-QHCPKHFHSA-N 438.532 1.635 30 10 IDEE CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978549 RZVGNCZSCUJXNP-GROYHEBESA-N 430.461 1.757 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1547904715 QBOURSIUNMHISX-VGOFRKELSA-N 442.520 1.796 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1548215877 CEOVZAYABHNGCL-AEFFLSMTSA-N 437.504 1.668 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)s1 1556734848 PJKZHEXWGIZSJL-ZDUSSCGKSA-N 440.568 1.442 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1563586162 GLAMKYZSTDNEPQ-UHFFFAOYSA-N 428.518 1.235 30 10 IDEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)nn1 1563691496 KGBYVPBQIZWNRQ-INIZCTEOSA-N 432.550 1.884 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1583812507 YUVAWMADVZLMRW-ZWKOTPCHSA-N 428.876 1.377 30 10 IDEE C[Si](C)(C)C#CCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1584145684 QQNWYLZWABDZOC-RDJZCZTQSA-N 429.014 1.851 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588049591 IYCMHPOLNOMNEU-QGZVFWFLSA-N 426.502 1.620 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588779725 AJNIXZUJRQEVGN-ZHRRBRCNSA-N 445.951 1.902 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@H](C)C2)CC1 1588806567 VKIYGUGBFHWFPI-VQTJNVASSA-N 427.597 1.497 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CCOC)CC1 1588837015 PJPPWMMGYQTNEZ-REWPJTCUSA-N 441.532 1.333 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCC2)CC1 1588930535 YOGWJILXGQYWLM-PKOBYXMFSA-N 445.589 1.502 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1589547576 VCLJFGHOGWXBBT-KSZLIROESA-N 437.566 1.359 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1594202433 PQIKPZJKNUUQDM-OAQYLSRUSA-N 429.525 1.486 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1594498361 UFLDGUHKTMWVLX-QZTJIDSGSA-N 448.593 1.884 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1594669166 PUGKBDVQDGYTHW-UYAOXDASSA-N 445.612 1.761 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595737432 AZMZVKFNUXTLIN-MJGOQNOKSA-N 446.577 1.327 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595777905 UINKKJMXXGUGBS-UWJYYQICSA-N 432.546 1.930 30 10 IDEE CC(C)(C)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1597206237 SZQVHWPBBDNLJX-RHSMWYFYSA-N 433.534 1.944 30 10 IDEE CC(C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1609522341 DKONYNOBOZHGBK-MRXNPFEDSA-N 425.541 1.693 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCO[C@H](C#N)C2)C1 1614906123 VKLXMWUUKZRUJR-VLIAUNLRSA-N 425.482 1.085 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCC[C@@H]1NC(=O)NC1=O 1617908777 VCAODTXTFBLNNY-IBGZPJMESA-N 444.499 1.760 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)sc2ccccc12 1618282117 AFMGSBVCMCUUQX-UHFFFAOYSA-N 437.481 1.328 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1618948508 WZCRJPHGLKSKKM-QVKFZJNVSA-N 426.477 1.795 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(C(N)=O)CCOCC1 1619987784 BCGUXBCSUDANKH-INIZCTEOSA-N 434.541 1.414 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1OC 1620148593 XOKUJFVJGYRBFU-ZGXWSNOMSA-N 443.504 1.119 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCOCCCO)CCO1 1620355097 OIOKEQQQROTLIJ-MRXNPFEDSA-N 436.310 1.835 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CC2)c1 1623849574 DAMMVIBTZKYYIT-HNNXBMFYSA-N 431.543 1.203 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)CC1 1625865143 OFNIJZADWNEWEZ-UHFFFAOYSA-N 442.516 1.168 30 10 IDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C(=O)OC 1626188090 PQVVBCFZGUJMHT-HNNXBMFYSA-N 443.319 1.528 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1630737685 WIVGGJYPNFQEBY-LJQANCHMSA-N 425.533 1.142 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@](C)(CO)Cc3ccc(Cl)cc3)CC2)o1 1654939620 FELXLRDKDVVIJR-NRFANRHFSA-N 431.924 1.740 30 10 IDEE Cc1ccc(CCC2CCN(C(=O)Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)CC2)cc1 1656828584 SSVHBKMCOAJDJW-UHFFFAOYSA-N 438.528 1.362 30 10 IDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1663388406 ZKVXHEGTDXNDOB-OLZOCXBDSA-N 437.255 1.700 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)C1 1664135288 LGHWKGQHQKLCGP-HNNXBMFYSA-N 440.363 1.734 30 10 IDEE C#CCN(C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1673223745 LVQKRFRWQJLYGI-HNNXBMFYSA-N 432.951 1.336 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)cc2Br)CC1 1677706102 CTMPOTPCFVHXJU-UHFFFAOYSA-N 431.312 1.075 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1689892908 PRQWMFGMABKGSU-GOSISDBHSA-N 435.594 1.678 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1689979673 FXPKCLPLDIFOMQ-RTBURBONSA-N 437.610 1.385 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1689986835 XUSKENFZFJJTJI-MGPUTAFESA-N 429.502 1.401 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689989769 IOWIYKAOVBBXLB-MSOLQXFVSA-N 432.550 1.411 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOCC1 1690051144 NXKFVHDHEYUSNT-UHFFFAOYSA-N 431.544 1.702 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCSC)CC1 1690124060 DRMOHBMWVNEVOA-QGZVFWFLSA-N 425.624 1.469 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CCOC)C1 1690663195 PAPVOODULAHCSF-MRXNPFEDSA-N 447.561 1.514 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(=O)OC)C1 1690717526 IUKZCJRAWNZHPX-HNNXBMFYSA-N 449.489 1.453 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccccc1 1692779028 AWHIZMYTHUXXPM-GDIGMMSISA-N 436.513 1.238 30 10 IDEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1697777665 FMNJDMLCATVWHE-FQEVSTJZSA-N 438.511 1.857 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1705641636 NMGXLTKPGJJXSC-IFMALSPDSA-N 439.560 1.706 30 10 IDEE C=CCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@]1(OCC)CCOC1 1705893765 SKGZWBMSXRCQAH-QFIPXVFZSA-N 426.521 1.542 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705906959 UYJIJLCLCCKHCD-UHFFFAOYSA-N 449.515 1.124 30 10 IDEE C=CCSCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705950203 UPHBNGVRRYCNQW-RTWAWAEBSA-N 435.594 1.954 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1706172716 VDEURBIUIKRDCK-QGZVFWFLSA-N 427.509 1.907 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCOC1 1709186731 YCDFUFQYHNPOKG-AZUAARDMSA-N 438.532 1.975 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)C[C@H]1O 1711460713 PTMAMEPBYRGHIU-RTBURBONSA-N 435.488 1.382 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1712585691 KGFMJRGJVQJQFS-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccn(C)n2)c1 1722306966 XKBHNVCYAQASJR-UHFFFAOYSA-N 434.504 1.254 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCCOC)cc1 1722351061 GDNSIQZAXVNRCI-LJQANCHMSA-N 432.546 1.461 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1722386922 BFUMSASJKKCGEV-SFHVURJKSA-N 428.500 1.847 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN1CCc2sccc2C1 1722401315 SQWCDDDCVCFPOH-UHFFFAOYSA-N 436.585 1.983 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)CC1 1722432811 FPLPSCQLNVWVAD-UHFFFAOYSA-N 442.951 1.636 30 10 IDEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722622727 NAUFDHFAGRFPTK-VGSWGCGISA-N 446.552 1.758 30 10 IDEE C=CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1722650311 XAJJGAFMOXTASG-UHFFFAOYSA-N 427.534 1.790 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1724686950 XCJPJPRBOYLZPC-VEGAHXMMSA-N 447.499 1.433 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC(C)(C)C 1729527121 YUWQYBVEHWVNTM-UHFFFAOYSA-N 446.577 1.992 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740621945 QNZILEORMYVVAC-ROUUACIJSA-N 447.561 1.106 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740625462 FTKKNAGKXJOJEJ-MOPGFXCFSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740627583 RAMWVAYPJZYJJP-YQVWRLOYSA-N 435.594 1.282 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1740632314 ZQCAPTGNPKAWOL-YWZLYKJASA-N 449.964 1.522 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740683436 GTYGNFCRKUWLRC-PKOBYXMFSA-N 446.577 1.563 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1740699169 WVPPHXFALPWAFN-GOSISDBHSA-N 440.523 1.762 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1740962882 RETNITZDKXMKBF-UHFFFAOYSA-N 449.559 1.984 30 10 IDEE C=CCOc1ccc(Cn2c(Nc3ccn(C)n3)nnc2[C@H](C)NS(C)(=O)=O)cc1 1740968845 PUOUTTOZWVHTRB-AWEZNQCLSA-N 431.522 1.979 30 10 IDEE C[C@@H]1N(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1743380434 MSUITTYJGPZJAI-KOFUXLBCSA-N 430.509 1.660 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748811804 LQVQXZBVTHTBQK-HNNXBMFYSA-N 448.549 1.425 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1748812709 ZGRINPFXJYLPPT-KRWDZBQOSA-N 440.529 1.546 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1748815047 MYPATAUDVZPEBD-GOSISDBHSA-N 427.530 1.124 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1748892612 SUHWDTHYBSEYBW-HOTGVXAUSA-N 447.586 1.855 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)c2nccs2)CC1 1748972360 GUAWTSUZJYKFSO-INIZCTEOSA-N 436.545 1.941 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccsc2)CC1 1749001573 WVSAJBSOQJTUIJ-UHFFFAOYSA-N 426.546 1.590 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 1749009293 OCPHSZZPTFDIOB-LPHOPBHVSA-N 425.537 1.196 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cnn(C)c2C)CC1 1749009508 RXTOQTPGAIWQPI-UHFFFAOYSA-N 432.532 1.705 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(CC)noc2C)CC1 1749010136 NYDMCFBSADJYKX-QGZVFWFLSA-N 426.521 1.655 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749671484 BYCMCCUAPYQYHK-ZWKOTPCHSA-N 444.486 1.697 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2cccs2)C1 1749693694 LZBHFZHTJDRDCP-OAHLLOKOSA-N 432.550 1.689 30 10 IDEE CC(C)Cc1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750726589 LMBLXXHIHVQGRD-FVGNFYTDSA-N 438.536 1.730 30 10 IDEE CC(C)N1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750905094 SXOJYABUIHSNDD-IDYLYPCZSA-N 443.552 1.577 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1751107266 YQKPPSHBSLIPFN-QAPCUYQASA-N 428.493 1.234 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1760116555 IIRDYUBNYRIQKA-GJZGRUSLSA-N 428.518 1.394 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1760170598 IWFYGHKCMHCECG-KRWDZBQOSA-N 435.532 1.230 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1760173676 AMUCEFIRLDBAFQ-KRWDZBQOSA-N 437.635 1.611 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1760188440 PDXLNDSDYLKMGI-QZTJIDSGSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1CCOCC1 1760208531 FEVGSGJUHQWAFQ-UHFFFAOYSA-N 428.581 1.770 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)C2CCCCC2)CC1 1760252537 RDUQJBAXXCVHOG-UHFFFAOYSA-N 427.597 1.534 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 1760260255 YDQBLAINMJXKSM-OAQYLSRUSA-N 436.560 1.530 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760300091 SEARZHCRPFGZLR-TZMCWYRMSA-N 439.358 1.820 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760512705 BLTMUJOVBRDVBS-MRXNPFEDSA-N 428.512 1.971 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1760597455 PBESNTGFZDNEEJ-UHFFFAOYSA-N 447.499 1.785 30 10 IDEE CCn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N(C)C)c2ccccc2c1=O 1765579758 HOBCZKLRBIGVOS-OAQYLSRUSA-N 438.467 1.205 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1766427888 FFESGRFVRMLLEA-NHCUHLMSSA-N 440.548 1.834 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCCC1 1768942857 HFPHXLDBBBDOLQ-UHFFFAOYSA-N 431.566 1.288 30 10 IDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1771027301 UGGGBURGQYBDLR-FQEVSTJZSA-N 437.548 1.850 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1771152591 IEAOUETZOOWPQP-VQIMIIECSA-N 438.532 1.709 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1772564709 VEOBRUKBROZJJV-INIZCTEOSA-N 427.571 1.440 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)ON1C(=O)c3ccccc3C1=O)N(C(=O)OC(C)(C)C)C2 1772791384 CPWVXQAHAJOTCP-AWEZNQCLSA-N 427.417 1.460 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1772849838 PYMYJZMVHKOGKJ-LUQKVYGDSA-N 426.525 1.667 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)nc1 1851513867 RNODJROOGQACIR-GOSISDBHSA-N 437.475 1.811 30 10 IDEE C=CCC1C(=O)NC(=NC(=O)c2ncn3c2CO[C@@H](c2ccc(Cl)cc2)C3)NC1=O 1852679614 VBVAOUGIHAQIGW-OAHLLOKOSA-N 427.848 1.743 30 10 IDEE COc1cccc(C(=NOCCN(C)C)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 1853406389 NOQGRTKEVHPCFN-UHFFFAOYSA-N 432.502 1.408 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 1862745961 VMWOQHVTZAGRAQ-SFHVURJKSA-N 426.381 1.937 30 10 IDEE COc1ccc(OC)c(C2=C(Nc3ccccc3C#N)C(=O)N(CCNC(C)=O)C2=O)c1 1863380766 OUPOYIORSGUVSE-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1Cc1ccncc1 1870519664 BEIGPOWDWZUSJL-UHFFFAOYSA-N 426.517 1.607 30 10 IDEE C[C@@H](C#CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 1901977513 YANGIFPARMBIRF-KBPBESRZSA-N 427.498 1.777 30 10 IDEE CC1(C)OB(CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)OC1(C)C 1956235160 XNQOISYJCXHUCV-LJQANCHMSA-N 440.302 1.562 30 10 IDEE O=C1C(=C2C=CC=CN2)C=c2ccccc2=C1C1=c2ccccc2=CC(=C2C=CC=CN2)C1=O 2069349984 AWUAONOCAPLJIH-UHFFFAOYSA-N 440.502 1.269 30 10 IDEE CN(Cc1cc(C#CCO)cs1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2145940150 XIXOLSOQKFDPOT-UHFFFAOYSA-N 446.550 1.930 30 10 IDEE C=C(CS(=O)(=O)NC1(COC)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247901203 GWGBEQFESDUJPB-UHFFFAOYSA-N 446.375 1.729 30 10 IDEE CC(C)(C)OC(=O)NOCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2247909670 DTSMMUHTPQNFJP-UHFFFAOYSA-N 425.266 1.706 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248588979 KNRPHVFBFRQUIZ-AWEZNQCLSA-N 432.307 1.842 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255649223 RMOUVPMDVMPVAD-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255806699 IYMYOMLQJFVMGQ-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255842144 NGAGKUHHLMUVEQ-QWHCGFSZSA-N 435.334 1.290 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CC[C@H]2OCc2ccccc2)n1 2255934049 XCOWSYPIAVUDCU-QZTJIDSGSA-N 447.366 1.745 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267015619 QRPLGBYOZJBGPQ-LSDHHAIUSA-N 446.357 1.943 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)n1 2267117195 RMHRCLRDOHRAAW-HZSPNIEDSA-N 447.345 1.242 30 10 IDEE Cn1nc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267134435 POBFURSKCQHGSV-KBRIMQKVSA-N 446.357 1.847 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2267523354 AEVJTSCANJQACZ-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE Cc1nc(NC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268650740 ROMVIPCJGJAFTL-OAHLLOKOSA-N 448.329 1.659 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268717236 XNSXNPNRGXQZMR-MRXNPFEDSA-N 446.353 1.961 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)NCC#Cc1ccccc1)NC(=O)OCc1ccccc1 2286035909 FBWDKQNCNXGQRQ-IBGZPJMESA-N 430.482 1.426 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2327842643 SKOYNNWEVJHULT-CQSZACIVSA-N 444.517 1.550 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2334270875 ZPMXKGXHLIOCSP-BMFZPTHFSA-N 444.341 1.904 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C 2337199210 SJOHHVPCIUXVKG-RRFJBIMHSA-N 446.357 1.705 30 10 IDEE C=CCc1c(O)nc(S[C@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)[nH]c1=O 101328793 HZNSVEXENYZHSU-AWEZNQCLSA-N 429.454 1.805 30 10 IDEE C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 267326324 JIEVJXRUYDZFTD-FNQWPDIWSA-N 448.468 1.945 30 10 IDEE biogenic COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2cscc2C#N)CC1 432407593 NLWWFJSEVJHCJV-UHFFFAOYSA-N 437.499 1.763 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)CNc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 435970104 IADPUDXYUOYSGP-NRFANRHFSA-N 429.498 1.968 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)C1=O 439786912 SNFXQOFWQPZVJD-QFBILLFUSA-N 441.532 1.426 30 10 IDEE N#CC1(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CCOCC1 464186589 LSKAFKKHQPJQDU-CYMYHSCOSA-N 431.492 1.655 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 477769290 KWEOHHYYSQSXOL-SFHVURJKSA-N 448.545 1.122 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 481496522 WZWTVZYGGJLSEL-QFBILLFUSA-N 443.525 1.763 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501529504 SCFVFAQXYAOPDJ-VQTJNVASSA-N 447.539 1.923 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)Cc2cccc(F)c2)cc1 503706985 ZARLJABQTVQKHM-SFHVURJKSA-N 426.473 1.896 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)CC1 503963180 MSEXDRHADOVCNX-WIYYLYMNSA-N 426.561 1.432 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 505367283 BDFUIZAZVIDMEK-LJQANCHMSA-N 428.581 1.938 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508953669 VTTOJAUFBKSJFK-FQEVSTJZSA-N 429.550 1.531 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 525684141 BELKDCUACNOKHP-UHFFFAOYSA-N 433.520 1.355 30 10 IDEE CCOCCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 559045361 VVEPXAHFNXFSQV-UHFFFAOYSA-N 432.550 1.650 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)O)c1 559806561 XEEMLXXKBCJCDQ-UHFFFAOYSA-N 445.497 1.938 30 10 IDEE Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(OC[C@@H]2CCOC2)c1 583115122 JTZVOYQOOGGQCG-GOSISDBHSA-N 443.525 1.877 30 10 IDEE C=CCOC[C@@H](O)Cn1c(N/N=C/c2ccc(OCC)cc2)nc2c1c(O)nc(=O)n2C 606630094 JTXMAQVJEDXAAN-URMYYVDKSA-N 442.476 1.244 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 610002378 FJQSAWZCOBPLEM-RKDDFOCISA-N 445.608 1.742 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CCN2C1=O 610776836 GEXYKOJABBLNBS-SFHVURJKSA-N 447.451 1.784 30 10 IDEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669814531 FNHXOHSZJZNPEK-GOSISDBHSA-N 432.488 1.790 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730140526 LXWCIUNOOZETBV-GOSISDBHSA-N 433.578 1.439 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 732462444 AUOIBCSQRHPRHC-XKAFOEQXSA-N 437.566 1.732 30 10 IDEE N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCN1C1CC1 732651058 SBRYXROYNPYZCL-OAQYLSRUSA-N 442.585 1.775 30 10 IDEE C[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 734601242 PXWSSMDWXWBCMQ-CQSZACIVSA-N 444.469 1.158 30 10 IDEE COc1cc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc2c1OCCO2 734750312 PRFJRRTXEYWMOO-UHFFFAOYSA-N 447.517 1.244 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 743917567 IFLFPTIDQXYPOP-QURGRASLSA-N 448.479 1.985 30 10 IDEE Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 753063365 SCVQWSMXJSSZBN-NUIDKPKGSA-N 435.484 1.901 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 767492624 URJQFJOIEIFKFY-QHCPKHFHSA-N 430.549 1.873 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769165992 ZOFIAUWTGLPEEA-VHXPQNKSSA-N 437.544 1.751 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC)c1cc[nH]n1 772329974 MTLPLEHQHWMCLY-RDJZCZTQSA-N 434.493 1.664 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(Sc2ccncc2)cc1 772477156 CKWQNFULYUPMJO-HNENSFHCSA-N 437.481 1.814 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 774050976 VAZXKFGGXMHQJV-MRXNPFEDSA-N 430.486 1.622 30 10 IDEE C#CCN(C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCS(=O)(=O)C1 774210827 LEEOPHJGAFYJAR-HOTGVXAUSA-N 425.501 1.761 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134298 AAJOWFYDNDKPHP-UHFFFAOYSA-N 448.552 1.299 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 784118421 OGQWXHMFIZKDHJ-SFHVURJKSA-N 430.574 1.953 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)n1 788863955 KHFBBKJCZQEWMX-OAQYLSRUSA-N 438.576 1.885 30 10 IDEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 790014502 RKCROFQOUIEOBG-UHFFFAOYSA-N 431.532 1.616 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 807608853 DLIFDSIANDKWGK-SFHVURJKSA-N 445.545 1.138 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 809915613 ZKPPTTBIYVEVBD-IBGZPJMESA-N 433.516 1.967 30 10 IDEE COc1c(Cl)ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1N 814603889 GGAANSKOENZQHC-UHFFFAOYSA-N 433.852 1.605 30 10 IDEE C[C@H](OC(=O)c1cscc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 814611700 YPKGNMYHOXQLFG-ZDUSSCGKSA-N 449.510 1.825 30 10 IDEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc2c(c1)CCNCC2 814745711 FFYVKUHBGFLTOY-UHFFFAOYSA-N 442.589 1.542 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915450292 MEYAIKKOBCQBIU-OAHLLOKOSA-N 432.296 1.308 30 10 IDEE C[C@@H](OC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)N(C)CCC#N 915523692 YYRPXURKHOXEPD-GFCCVEGCSA-N 438.278 1.868 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1130824462 MBGPODMTJPNTPW-OAHLLOKOSA-N 446.500 1.869 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1138181307 PWGBUKZUMHFLIA-IRXDYDNUSA-N 444.488 1.626 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C/c2ccc(OC)cc2)c2cccs2)CC1 1152967561 LJYGLPGDQNKAPY-KNTRCKAVSA-N 445.566 1.909 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1154072141 CLIWUKJQCQCAQJ-SFHVURJKSA-N 434.456 1.223 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1158573075 HHNPXYUEWLXGSP-CQSZACIVSA-N 445.501 1.140 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1178552924 YJFRRMSPZDBGHN-KGLIPLIRSA-N 439.559 1.120 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286358486 HOMBZIBILUOPIR-HXUWFJFHSA-N 445.527 1.610 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1286396869 JGOYOKGHRPIWKM-PMERELPUSA-N 443.960 1.845 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)CC)CC1 1286472634 AHZMUFMTDKYHCM-NRFANRHFSA-N 431.562 1.265 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1286485091 CKRXGVFJWLBAAU-FKBYEOEOSA-N 444.624 1.878 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286504510 MVRBPDFHPHQYCF-MRXNPFEDSA-N 434.566 1.510 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286563975 WVTUZTMMMLAOAU-MAUKXSAKSA-N 447.565 1.234 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286601896 PQNOSUKEXZPUOB-IBGZPJMESA-N 446.596 1.796 30 10 IDEE C=CCCOCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1286716567 PMSZJMILJANLOX-NJNPRVFISA-N 433.553 1.580 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1286727431 PZBQPTMPBSAAKK-HNNXBMFYSA-N 443.570 1.643 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)c1 1290062880 HZFCSVJLOYHVLB-QFIPXVFZSA-N 442.495 1.856 30 10 IDEE CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1292331746 OZVPHDHPAGWFEL-YLJYHZDGSA-N 448.549 1.750 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1300336371 FBNUGNJRQODPOQ-UHFFFAOYSA-N 438.598 1.470 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300394874 YERPZAUQNQOVAG-SFHVURJKSA-N 433.520 1.639 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1300492738 OWPDJTXUFUPIDP-LJQANCHMSA-N 436.541 1.913 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1300578979 LAQNDOHYOQJOTN-UHFFFAOYSA-N 436.394 1.147 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CC=CCO2)n1 1300680810 FKHWBDDKWZWULU-IBGZPJMESA-N 434.504 1.563 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCOC1 1300755510 VDGNSDFXRCYBOD-HNNXBMFYSA-N 434.591 1.830 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cnnn1 1300789551 PLXLZMVTQYJZGY-HXUWFJFHSA-N 440.533 1.418 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300873193 IGRADGRBQUDIIQ-ULQDDVLXSA-N 434.541 1.674 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1300885960 ULOVKRMGTMJPIH-IKGGRYGDSA-N 427.571 1.438 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1300916251 VREBIPVMYWENOH-MRXNPFEDSA-N 440.595 1.827 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1C(C)(C)C 1301002110 UKBPUNPFCRPBDS-UHFFFAOYSA-N 427.553 1.989 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1301295837 ATHMYNBUJLXLAJ-INIZCTEOSA-N 433.534 1.328 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1)C1CC1 1301327478 UDDSVBFUZTWLFP-SFHVURJKSA-N 436.626 1.363 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1301515691 XYAUFBDVOUNZKH-KRWDZBQOSA-N 442.495 1.500 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1301569555 ZAYNYJZZVGKRBE-QGZVFWFLSA-N 438.598 1.585 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1301980362 BOCZYJLRFOQRHP-KFWWJZLASA-N 429.529 1.821 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CC2)C1 1302505095 FQCZNJKRNMALTC-KRWDZBQOSA-N 430.534 1.514 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCOC2)CC1 1303014301 VGQDIJGHAFMVPA-LJQANCHMSA-N 430.553 1.974 30 10 IDEE CCc1nnc(N2CCC(N3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306143335 WYJYFUSPNVROQT-QZQOTICOSA-N 427.553 1.822 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC 1309573892 SHCRYBZUIGDAFQ-GOSISDBHSA-N 437.495 1.606 30 10 IDEE N#C[C@]12CN(C(=O)NCCCCn3cc(Br)cn3)C[C@H]1CS(=O)(=O)C2 1312625866 DCCNQFCOAFRBIZ-SWLSCSKDSA-N 430.328 1.006 30 10 IDEE CCOCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(C#N)o1 1314330913 ILYKKTDYUMTOGN-LBPRGKRZSA-N 426.399 1.832 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315694540 GIJRPGQCHBXXBK-LZICOFPGSA-N 425.493 1.425 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315893917 ICOOQLOFCXMYCG-BSBNDGSWSA-N 439.520 1.673 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1316179794 WWBLSUGSXIUXBY-VLIAUNLRSA-N 431.472 1.846 30 10 IDEE Cc1nn(C)cc1C1=NO[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 1354360887 RBDHUQJRTJWZJT-SMKFHGBISA-N 444.517 1.673 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CCC)CCC 1358890716 URVYPMZUPJCRAP-DLBZAZTESA-N 441.598 1.400 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961417 YTFAHIFFKQKPGL-RTBURBONSA-N 446.621 1.887 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358967381 JJMVGYFITGLATQ-MOPGFXCFSA-N 437.610 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccn(C)n1 1358993412 MDVLAAXGEUSMQK-UHFFFAOYSA-N 443.559 1.891 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC=CO2)CC1 1359038466 XJQFUFFEOSATMI-QGZVFWFLSA-N 426.546 1.718 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1359133258 OFKIBDJIHORSHN-INIZCTEOSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 1359305574 HFRSZBNWFGNJPY-HNNXBMFYSA-N 434.541 1.877 30 10 IDEE CCOC(=O)C(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OCC 1441035168 RTYKJFUCWGYCDQ-UHFFFAOYSA-N 438.278 1.368 30 10 IDEE N#Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1Br 1445484655 DEOPVCQXFGTMGB-INIZCTEOSA-N 443.301 1.653 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC([C@@H](C)O)CC3)nnc12 1457982353 NVESQSQBIUSQON-CQSZACIVSA-N 427.530 1.942 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1471820186 IXDINKLJVYFHNH-QUCCMNQESA-N 449.467 1.921 30 10 IDEE Cc1cc(C#N)cc(C)c1CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1473232293 CHELEPLLUFJKGO-UHFFFAOYSA-N 448.570 1.329 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCCC1=O 1505000193 PSDNBYOYZJJOMA-ROUUACIJSA-N 434.541 1.524 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507511924 AWSCLAHAPMBIFH-DOTOQJQBSA-N 426.496 1.455 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1507540355 ZHFLGXLWVWVYDH-CVEARBPZSA-N 439.582 1.943 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](CNC(C)=O)C1 1507584002 ZQTTZUUFWVTBPD-GOSISDBHSA-N 447.543 1.958 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1nnc2n1CCCCC2 1507703428 VQWBVMNHEUPXKC-UHFFFAOYSA-N 440.552 1.161 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1507727741 SUTLATBOLLJZNE-FQEVSTJZSA-N 449.559 1.205 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1507811235 OUOCHRBMXJKFIA-YZIUBNRHSA-N 433.553 1.578 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507844610 MIEPGTUYZXSFMU-QZTJIDSGSA-N 441.598 1.530 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1507882023 VADTYJWPZWLRAB-HXUWFJFHSA-N 441.598 1.758 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1507964683 FDGQPYLNYWBPCJ-UHFFFAOYSA-N 442.520 1.549 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1508094394 XRQIDEGLHGXEJF-DLBZAZTESA-N 432.569 1.463 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1508096250 DMFHMXJLUQCPRD-QGZVFWFLSA-N 438.532 1.794 30 10 IDEE CC(C)c1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508956946 AENWWPGNEJXOBQ-UFVMTTLYSA-N 427.553 1.993 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)N(C)C 1510075567 DTVLZBVAHODAFE-FHLIZLRMSA-N 426.477 1.793 30 10 IDEE Cc1cccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511127680 FGBIUXCMWFWPDV-BSBNDGSWSA-N 437.504 1.790 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(C)COCCO1 1513027221 NHCFPTUCQKYSSU-JKSBSHDWSA-N 440.552 1.974 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1515071574 DNPMTWXBRRZNLJ-QAPCUYQASA-N 426.477 1.436 30 10 IDEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1518728850 IIBRKDFFWUSDTM-MRXNPFEDSA-N 447.490 1.738 30 10 IDEE N#Cc1ccc(CC(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)cn1 1524987666 OJLJTZAMOHMLLT-UHFFFAOYSA-N 441.495 1.816 30 10 IDEE C=CCOc1ccc(CNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1 1525533686 IFMRPLAZLIZTBG-UHFFFAOYSA-N 437.539 2.000 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2ncc(Br)c2C)c1 1528413324 ZEBJEMRGRPHOQO-UHFFFAOYSA-N 445.317 1.827 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(CC(N)=O)CCCCC3)CC2)cc1 1533592312 YZFJLQUTRBMBIA-UHFFFAOYSA-N 446.573 1.901 30 10 IDEE Cc1nc(=NC(=O)c2cnn(C)c2I)n(-c2ccc(C#N)cc2)[nH]1 1539011087 OYIRKDPMWLCYRZ-UHFFFAOYSA-N 433.213 1.460 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1539111858 BXOJLTMFDGBGNT-QGZVFWFLSA-N 447.565 1.025 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1539210592 CUJDMLAFAYQDSP-ZWKOTPCHSA-N 431.562 1.815 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1539237281 BVPOIGIYBJDGGW-OFNKIYASSA-N 429.565 1.504 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539340387 LRPQZJMTJRLYMN-QZTJIDSGSA-N 448.593 1.178 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1539704441 CKKABBZVMWIHGB-HNNXBMFYSA-N 448.549 1.452 30 10 IDEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539804999 CYFCBVJXNBXAPW-UHFFFAOYSA-N 441.989 1.782 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1540120711 GGWUFBAYPVJRMM-UHFFFAOYSA-N 446.515 1.602 30 10 IDEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1540714056 NGSHYDMYGBZSQM-LJQANCHMSA-N 438.532 1.648 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1540871966 YSPHWNFGGVHSCY-AWEZNQCLSA-N 432.912 1.813 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1542686102 HGPKIFZXECQYBL-OAHLLOKOSA-N 438.410 1.573 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1CCN(C(C)=O)CC1 1546578997 CIWPQVPRCBTUIX-HXUWFJFHSA-N 435.532 1.790 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1548288694 HQMYTJLLLFPUDV-REWPJTCUSA-N 440.548 1.515 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1552716453 CTYQIYLPSUTDBT-LJQANCHMSA-N 437.548 1.849 30 10 IDEE COc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)N(C)C)c1 1554991099 BNQNVOJYAWTNLD-KGVIQGDOSA-N 441.511 1.983 30 10 IDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1555573088 LAXKDCMMUDCCHA-FGSXEWAUSA-N 430.553 1.797 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC)nc1OC 1555637131 PKICGZQJUAXHSJ-JLTOFOAXSA-N 434.472 1.905 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1555686682 RORANLKSFYFEKS-AEFFLSMTSA-N 447.561 1.992 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C[S@](C)=O)cc2)s1 1556535408 SYZFJMWVXOCPRZ-SANMLTNESA-N 426.585 1.950 30 10 IDEE COCCN(CC#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1556908713 YNRQTZYFEHMEAH-CQSZACIVSA-N 444.351 1.848 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC 1561724827 DXXQJJVIUIQKQX-UHFFFAOYSA-N 430.910 1.674 30 10 IDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1565230434 LWTRPVAGSBGDEX-UVFQYZLESA-N 440.566 1.602 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2(c3ccc(C#N)cc3)CCC2)c1 1586103154 RAFQPQAJVYCEPM-UHFFFAOYSA-N 442.541 1.946 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1587555033 CIKBEFZGVLOAMX-YCRPNKLZSA-N 430.940 1.386 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1587975048 KWZGVJMTYCJCNO-APWZRJJASA-N 436.516 1.796 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC(OCC)C2)CC1 1588811363 HOWLDYMTZFMHBG-XBMUEBEBSA-N 435.594 1.141 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1593746489 GNAXDBLLTNOVNT-GOSISDBHSA-N 440.552 1.615 30 10 IDEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1593764112 YBTUMLMWMXONJR-LJQANCHMSA-N 429.521 1.709 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1594733016 LKUAGBVLBTWZPM-KRWDZBQOSA-N 444.561 1.504 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1595465890 AXDXLIBVUHVHLK-UHFFFAOYSA-N 441.511 1.282 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(NC(=O)OC(C)(C)C)CC2)s1 1598134981 IJAIUIQFPPVONN-UHFFFAOYSA-N 429.564 1.928 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H]1N1CCOCC1 1612910452 FEJGCASNHZHDNF-XLIONFOSSA-N 437.548 1.452 30 10 IDEE CN(C)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617588416 FLVCVHSGVPTIAB-GOSISDBHSA-N 438.536 1.244 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O 1623284681 UDEAUGMIQYFOFJ-GOSISDBHSA-N 430.505 1.867 30 10 IDEE COc1c(F)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(N)c1F 1625121409 RVRDLWREVYYJNQ-UHFFFAOYSA-N 436.440 1.574 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C2CC2)C2(CO)CCOCC2)s1 1627908970 KAGLZBRIYQSVJX-GOSISDBHSA-N 428.576 1.439 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1631383643 IBSYNBDPSLETRK-WFASDCNBSA-N 446.451 1.550 30 10 IDEE N#Cc1cn(CCC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(=O)nc1O 1631753891 AZLKXIDYRGJYDB-UHFFFAOYSA-N 435.415 1.918 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[S@](=O)C[C@@H]3c3cnn(C)c3)n[nH]2)c1C 1632819036 IYUXXHWWZJMMTC-JJCDCTGGSA-N 427.534 1.755 30 10 IDEE C#CCn1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cn1 1634635913 KQXZQKLSDJZGDG-LJQANCHMSA-N 444.289 1.362 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1635733870 SJXLCYZOKQVKMN-IBGZPJMESA-N 449.596 1.442 30 10 IDEE CSC[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1639989120 KEZWWHYSSSWDDJ-VNHYZAJKSA-N 432.571 1.993 30 10 IDEE COc1n[nH]c(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1Br 1643178580 IQRCPGGOQWUITD-UHFFFAOYSA-N 428.268 1.543 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)N(CC)CC)CC3)n[nH]2)c1C 1643734691 BQAZIUMNEBVXKF-UHFFFAOYSA-N 449.581 1.420 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccccc3OCCOc3ccccc3)C2)c(=O)nc1O 1648028624 IAUPBISJMUFENG-UHFFFAOYSA-N 432.436 1.975 30 10 IDEE C#C[C@@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccccc1 1682352123 GRUBHFANEFOFOV-RTWAWAEBSA-N 434.544 1.926 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1690019763 QWSTUYYZYRQNIU-SJORKVTESA-N 430.505 1.860 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690022453 FUWCSJWFSXPEHF-SFHVURJKSA-N 441.557 1.232 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCc1cnn(C)n1 1690104277 RNLFBPQGZWJXLQ-FQEVSTJZSA-N 437.504 1.638 30 10 IDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1690481874 RXJFVDMYROBAFW-UHFFFAOYSA-N 443.533 1.642 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CC1 1690588365 SVHQHDUPDTUXRI-UHFFFAOYSA-N 440.533 1.676 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690675064 OQAWHRJVVYZDLM-UHFFFAOYSA-N 449.559 1.984 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690738758 XSTFQGBQEMBKAS-IBGZPJMESA-N 443.621 1.946 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1691016113 LGEWHUBEEUIBOL-MPGHIAIKSA-N 433.534 1.490 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1692591744 DYLDBNWEDRHKKA-PGRDOPGGSA-N 448.568 1.158 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1692844986 AXMXINWZDZFYBK-NQIIRXRSSA-N 443.577 1.818 30 10 IDEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC)CC2)s1 1694614037 DXKLVYFALZIWEU-UHFFFAOYSA-N 437.533 1.740 30 10 IDEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCCC1 1697808458 FNZFSXOISRHHCI-IAGOWNOFSA-N 437.566 1.506 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705475406 RJWSBZCOFCBVAC-NXOAAHMSSA-N 440.614 1.234 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705569787 JTWPXOJUJWLZSV-UFYCRDLUSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705572079 QCJOUCYAUBIVQB-JMLKKNOCSA-N 440.591 1.058 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1705582449 BGTHBKYRTOKQNV-ABHNRTSZSA-N 433.578 1.681 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1705708112 XXVBHUQXRWVREC-WCIQWLHISA-N 433.553 1.652 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@@H]3CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908950 XZZNUJWCOUSFJB-SVMVAKDDSA-N 433.553 1.484 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@@H]1C 1705930278 KATJWTVBJRSCJD-ILXRZTDVSA-N 433.600 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705934806 YCZHJDNACSGYTD-IAGOWNOFSA-N 437.566 1.083 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCn2ccnc2C1 1706867864 SAFLGYKLEVKCJQ-HZPDHXFCSA-N 446.581 1.477 30 10 IDEE C[C@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 1708245309 IBWAHJARHMJKRR-RQXXJAGISA-N 429.569 1.859 30 10 IDEE CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1711406559 QNDOLIJPQJFWPO-JTJHWIPRSA-N 438.532 1.882 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1722290499 MBJZXPZYNGEPJL-IRXDYDNUSA-N 448.568 1.817 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1722351560 JKAQWOUQGCIORU-FQEVSTJZSA-N 443.573 1.486 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CCC)CCC 1722353229 UHYSCLBCFLHQFR-MRXNPFEDSA-N 427.571 1.012 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1722426151 AFDRXAMDGXOYII-QGZVFWFLSA-N 439.582 1.133 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722598834 PJHIRISQLUCJTC-UHFFFAOYSA-N 432.569 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(C)(C)C)CC1 1722725929 UMEYFSJXFMGJPT-UHFFFAOYSA-N 440.614 1.328 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722729983 DGDQYEUHDUGYBN-HNNXBMFYSA-N 444.604 1.155 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722730826 DQOUJBMSXDVZRS-HSZRJFAPSA-N 438.532 1.829 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1740684680 YMAZXSYWBOMXKN-HNNXBMFYSA-N 434.541 1.619 30 10 IDEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1740722457 FJBWPRLUVJVRFK-PGRDOPGGSA-N 449.621 1.990 30 10 IDEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1740791908 BHOJSTXZWTUYCR-SFHVURJKSA-N 435.475 1.691 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1740801513 BGKZEWPPMSPTON-JSGCOSHPSA-N 427.962 1.888 30 10 IDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740860758 OTHMSJQJXQJNGZ-GOSISDBHSA-N 442.549 1.900 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1740932824 WVOAOYWYMPYFPX-MRXNPFEDSA-N 434.541 1.853 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740959978 IHLQSQJEMBQIHT-HSALFYBXSA-N 445.612 1.079 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1741128548 XUBFYQNNCSXYLQ-AWEZNQCLSA-N 435.506 1.331 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1741804464 CXDBWJSCBSRZGR-INIZCTEOSA-N 430.534 1.613 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@@H](C)C#N)CCC2 1742500966 KVOJNLCJWJIXOT-BHYGNILZSA-N 431.566 1.859 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1748638662 TYXFUXHLGOLWHD-KRWDZBQOSA-N 444.561 1.641 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748686395 OHUWBBBEXSCASP-LIRRHRJNSA-N 438.937 1.518 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748686712 UYUCUXMIBDNZTH-INIZCTEOSA-N 443.529 1.126 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748811424 GRJKJBPYASTEMB-MOPGFXCFSA-N 444.605 1.642 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1748851805 OMLLAFOQPLSVQB-UHFFFAOYSA-N 446.555 1.354 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)CC1 1748984808 RUWTVCJFYHTUKC-UHFFFAOYSA-N 430.516 1.463 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749652323 LJIJUCRQFFJHSP-LSDHHAIUSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccc(OC)n2)CC1 1749658791 PEPBXWFXYWLSKR-UHFFFAOYSA-N 438.492 1.274 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nnn(C)n2)C1 1749697961 PAYPZFLRWZXTEO-HUUCEWRRSA-N 428.472 1.910 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC=CCO2)c1 1750193220 NSEMOZBGLJROPL-SJORKVTESA-N 429.502 1.422 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1760187828 XZZQZVGRDQTVEG-IBGZPJMESA-N 445.589 1.456 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1cnnn1C 1760244356 RSFHFOVSCQPWRD-UHFFFAOYSA-N 430.310 1.970 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 1760249708 QYFPJYDCLAIKOK-ROUUACIJSA-N 449.552 1.709 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760255032 TURWHXFWDHWQAC-SBUREZEXSA-N 441.532 1.257 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)CC1 1760261059 GJLMTINUDONFHY-WOJBJXKFSA-N 448.637 1.200 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(COC)n1 1760289880 SSJPKAPJULLSSF-SCLBCKFNSA-N 438.579 1.532 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760413160 ZKTGIGGOLJDULD-HUUCEWRRSA-N 432.612 1.652 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1CC 1760450261 HJQWCGLDXMGGIC-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)C1 1761548276 PQFJVUONVDCSRI-HSZRJFAPSA-N 437.548 1.631 30 10 IDEE Cc1cccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)c1 1762011823 DQLWOMWCIICWHR-UHFFFAOYSA-N 432.550 1.845 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1765012372 YECJDOLBXUEOFX-XOMICKMZSA-N 441.536 1.252 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1768519366 VLVOAZRQRKXHIX-UHFFFAOYSA-N 449.563 1.455 30 10 IDEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1769707240 DZVIQYLNDPLTJG-LPHOPBHVSA-N 447.561 1.882 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1769785416 AKZAPXCHGUMZIP-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1CC1(O)CCS(=O)(=O)CC1 1771110166 GYURGKZPZIVLBA-UHFFFAOYSA-N 437.522 1.153 30 10 IDEE C=CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccccc1F)[C@@H]1CCN(C)C1=O 1848787899 OSDYGWIKYLXTAV-DLBZAZTESA-N 425.526 1.764 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)cc1 1857387265 HSHRGJRTNPYEQC-UHFFFAOYSA-N 426.498 1.293 30 10 IDEE COCCN(CCOC)C(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869928436 XZXSQBOHQQFDBS-LJQANCHMSA-N 445.541 1.458 30 10 IDEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CSc2nnnn2C)cc1=O 1870302532 SMLAYDHYDMLAFT-GOSISDBHSA-N 440.529 1.685 30 10 IDEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870530175 ZTDZHLINOMGJIZ-UHFFFAOYSA-N 440.544 1.880 30 10 IDEE C=CCN=c1nc(N2CCN(CC)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597382 XPUQMDRFRIFSRD-UHFFFAOYSA-N 427.553 1.996 30 10 IDEE COc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 1873527067 JZZXMTSBJCNMFK-MEBUONCMSA-N 441.307 1.820 30 10 IDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562829 VKTNRQKFNCFKFH-GJZGRUSLSA-N 426.521 1.568 30 10 IDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873593353 ABRCUTYBBLZPGW-UHFFFAOYSA-N 441.580 1.210 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCCOCCCC)ncnc21 1875228496 QZVCLRPNDYWOLD-UHFFFAOYSA-N 444.580 1.986 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)CCc3ccccc3[N+](=O)[O-])CC2)CC1 1891002228 HSKVGRDCJHZWPA-UHFFFAOYSA-N 428.533 1.786 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1984850617 LTYPAHCYVOWBDG-ZIAGYGMSSA-N 427.498 1.777 30 10 IDEE C=C(CNC(=O)[C@@H]1[C@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2084667520 GKSCXGFHZSANOD-HRCADAONSA-N 440.346 1.940 30 10 IDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)nn1 2124521947 NFJBGOHSYAVDGN-IOASZLSFSA-N 447.345 1.932 30 10 IDEE N#C[C@](N)(Cn1cnc2c(I)ncnc21)C1(Br)CC1 2141689897 KUMBDBIFBUWFCM-NSHDSACASA-N 433.051 1.579 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(Cl)c(C#CCCO)n1 2241192403 PJDNPFFNZWECKX-UHFFFAOYSA-N 447.900 1.897 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402594 YWEQGWFRZCHEOA-LLVKDONJSA-N 442.347 1.128 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255816148 ZQPHBMWUSMECNN-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255823074 RPZABMXCIWYMEM-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2266989240 AWJCELODQQSJRQ-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE Cn1cc(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)nc1B1OC(C)(C)C(C)(C)O1 2267177717 RTQNBZZRDUFOSL-UHFFFAOYSA-N 447.305 1.114 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267599589 RQOUUYBKVCYMGK-GXTWGEPZSA-N 443.275 1.996 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2267604920 JMMZXDUZLZKBGP-KBPBESRZSA-N 449.361 1.680 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271390409 VYIWFPLIERLFDK-UONOGXRCSA-N 449.361 1.632 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=[S@](C)(=O)C3CNC3)cc2Cl)OC1(C)C 2282830232 QUPFJBFXUZSYRV-RUZDIDTESA-N 440.805 1.459 30 10 IDEE O=C(N[C@H]1CS(=O)(=O)C[C@H]1N=Cc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 2294853640 WJHCKBGRAPMEIX-ZJUUUORDSA-N 428.681 1.666 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2332885365 QKKJNUOIIABSMV-HZSPNIEDSA-N 426.267 1.600 30 10 IDEE C=CCOc1ccccc1[C@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@@H]1C#N 72443922 RVEXDKFKTMGCEQ-NVXWUHKLSA-N 448.483 1.260 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 111192394 UQQGQHODPNWTJB-MRXNPFEDSA-N 441.956 1.246 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 410226746 YRTKEURUHUEBFK-PKOBYXMFSA-N 447.561 1.636 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 436463236 XAYNGRQQYBFOKH-OALUTQOASA-N 426.498 1.832 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 464732950 GYHKBZHEWNMURM-OHTSDLOESA-N 437.566 1.441 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)CC2)cc1 467701130 RFFPXHXFFDPOSF-OALUTQOASA-N 432.546 1.509 30 10 IDEE C=CCc1cc(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 480524750 IHIPHBVWKAGWTM-UHFFFAOYSA-N 446.591 1.523 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cn1C 499429440 CTICIEYRRJMCCW-AWEZNQCLSA-N 440.323 1.541 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 499666346 HJQAZAXYWANRJK-GOSISDBHSA-N 433.468 1.426 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 505502915 IKGOYZAMKZXENF-PKOBYXMFSA-N 437.500 1.624 30 10 IDEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 506862963 BJFLQNOUNRTMRP-UHFFFAOYSA-N 435.485 1.898 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508841025 OBNBBEDRKKPGLW-AWEZNQCLSA-N 428.518 1.249 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)NC(=O)NCc2ccc(C)cc2)CC1 512710239 PGSPVFHHTMKVQL-OAQYLSRUSA-N 443.592 1.655 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c(C)c1 515687082 BQLZFPXULHNYFU-UHFFFAOYSA-N 439.581 1.587 30 10 IDEE COc1cccc(-c2cc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)n(C)n2)c1 534991739 FHOSJINWPNMKJF-UHFFFAOYSA-N 445.483 1.650 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1C 539235516 UXVQTALPTJSUCD-UHFFFAOYSA-N 429.546 1.495 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 543349229 GWQNKDNIGLITJB-UHFFFAOYSA-N 443.548 1.991 30 10 IDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 550091078 ZWIXFPZHFUHXJV-MSOLQXFVSA-N 445.545 1.636 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 603799048 RSEZLKFXZHFUDH-AWEZNQCLSA-N 431.464 1.172 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccccc1C 603800013 ORQBMDJWBUOMET-UHFFFAOYSA-N 437.521 1.765 30 10 IDEE Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610221188 KLLBURKISZCQDR-OAHLLOKOSA-N 429.546 1.620 30 10 IDEE Cc1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 612832843 VHQIMYKMGWIMAR-MRXNPFEDSA-N 429.506 1.172 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670210981 AGIBLZURZJEXRJ-BJLQDIEVSA-N 434.585 1.567 30 10 IDEE Cc1occc1C(=O)NC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 727402951 NNPICHBYIRCLFX-UHFFFAOYSA-N 444.513 1.438 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732696365 FZTIZRLNRIMSIA-MDZRGWNJSA-N 447.561 1.689 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)CCN1C1CC1 732706640 MAYUIDITCNIHRE-AWEZNQCLSA-N 444.293 1.167 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccccc1C#N 732796251 BBFKIXVTFAQKTL-UHFFFAOYSA-N 446.536 1.577 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 747276996 DOLPOZOHKWPVOW-RIYZIHGNSA-N 440.363 1.507 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749336919 GSHVPBSIUQZASL-OAHLLOKOSA-N 439.540 1.419 30 10 IDEE Cc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1S(C)(=O)=O 759787787 QTJHUFAUBMCUGR-ZDUSSCGKSA-N 435.527 1.854 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 770652727 YUYOTURVZAZWLP-CQSZACIVSA-N 446.616 1.264 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781654995 XKJLBDMNKDOQNK-UHFFFAOYSA-N 427.526 1.449 30 10 IDEE Cn1ncc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2cccc(O)c2Cl)n1 789400208 AELKMOQAEHOCFN-UHFFFAOYSA-O 431.885 1.968 30 10 IDEE CC[C@@H](NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 795801676 BSOCLUZKMFRUJY-MGPWXQLLSA-N 426.926 1.815 30 10 IDEE CCc1oc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1C(=O)OC 800848102 JVPAGKZGDHOMEQ-UHFFFAOYSA-N 430.445 1.739 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 804456282 WFWSNTXIHPSAFY-GOSISDBHSA-N 426.494 1.842 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 809926423 LWYKCPRVGFGWLB-AWEZNQCLSA-N 446.371 1.676 30 10 IDEE CC(C)(C)N1CC[C@@](F)(C(=O)NCC#CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 810990077 IQJJLPBITQIACP-SZPZYZBQSA-N 426.552 1.647 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 813242427 PUGNBRVXEWHBJX-KRWDZBQOSA-N 428.537 1.297 30 10 IDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c1 813978276 DNYTZIVYMCLUDV-KRWDZBQOSA-N 428.470 1.807 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 814612341 QNEPZGOHGLFWTB-UHFFFAOYSA-N 449.510 1.114 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CC2(C#N)CC2)[C@H](CNC(=O)CC2(C#N)CC2)C1 815754173 FQBGFAPWBVDATH-MRXNPFEDSA-N 429.521 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 1136672103 BUJWKGSSCDXSEG-XLIONFOSSA-N 441.532 1.458 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(sc4ncnc(N)c34)C2)s1 1138127774 ILNUNFXIVHQCMR-UHFFFAOYSA-N 449.583 1.927 30 10 IDEE C#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 1143126526 DJJAEWSXGWJHGW-NRFANRHFSA-N 439.537 1.790 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1144922045 FWMVPFOBZRJYEF-CYBMUJFWSA-N 431.352 1.888 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)Cc3cccc(OCC#N)c3)C2)nn1 1153253005 GEEJLWIUBZMATK-UHFFFAOYSA-N 426.477 1.831 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc(-c3ccccc3)n[nH]2)s1 1153886041 GYNIJRUSNBSOFG-UHFFFAOYSA-N 431.543 1.899 30 10 IDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)nn1 1162480513 MLBNTXUNDQEZIH-UHFFFAOYSA-N 443.485 1.909 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CS(C)(=O)=O)C2)n(Cc2ccco2)c1C 1176597194 FACXXRMPCCSDLT-QGZVFWFLSA-N 434.518 1.302 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)sc(C(=O)NC)c1C 1198240651 KPSWKYWZCCATTD-UHFFFAOYSA-N 449.529 1.869 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 1210111542 LAIIGXGUXYLDJY-UHFFFAOYSA-N 438.859 1.200 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)nn1 1252077028 PVRUNUGYVHSLTB-UHFFFAOYSA-N 430.509 1.517 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1286395618 SGLMSXIPRAEHFW-DLBZAZTESA-N 449.602 1.920 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286398597 ZDJBSMFULMHAIP-ATZDWAIDSA-N 446.577 1.191 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 1286398795 PNEHZRGLPOAVKU-UHFFFAOYSA-N 431.422 1.638 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1286402570 GDFVCZGGCVOQFH-QGZVFWFLSA-N 441.513 1.171 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286435431 APFHZTXSAMDGJN-QZTJIDSGSA-N 425.537 1.884 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2cccc(C(N)=O)c2)CC1 1286486482 MTAVFRTUISELJG-UHFFFAOYSA-N 436.560 1.883 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C 1286518203 QKQSATXITDNYEZ-KNXBSLHKSA-N 444.557 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1286817682 WDPMEKIQMZGUPG-SFHVURJKSA-N 443.529 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286817768 XORSUSSLZIJQDS-UTKZUKDTSA-N 432.546 1.930 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286824405 CGSZWHDVPZFRLH-QGZVFWFLSA-N 439.582 1.425 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)Cc2ncnn2CC(F)F)nnc1C(C)(C)C 1286825401 QMZGOLNTYWKLCV-UHFFFAOYSA-N 431.513 1.669 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1286929563 PDBMRGAEVQGTCL-MRXNPFEDSA-N 425.493 1.266 30 10 IDEE CCCCNC(=O)[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1294345418 GPQBWGBQOPMBFX-YGCDDZCOSA-N 443.552 1.500 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1295707741 UGVJVEQOPINDQI-KRWDZBQOSA-N 442.582 1.295 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC(C)(C)C 1297509411 CMXDXSGOBKTFKI-NRFANRHFSA-N 430.461 1.364 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1300989933 HIYPWNGWLFFPNL-ZWKOTPCHSA-N 439.582 1.440 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301113801 GTQYTJDFZMVBKX-LJQANCHMSA-N 437.953 1.946 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CCOc2ccccc2)CC1 1301490824 FQNDPVUJTRWCHX-UHFFFAOYSA-N 449.559 1.787 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1301527302 XKNZUYDRJRXLCH-IEBWSBKVSA-N 438.532 1.805 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ncn(C)n2)C1 1301566310 OSQINHPVJOYGAI-GOSISDBHSA-N 425.493 1.824 30 10 IDEE COCCN(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1301718177 CUPRATYHAVNDLI-FXAWDEMLSA-N 438.598 1.279 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCn2cc(C)nc21 1301806583 LINASVRTEUCLQH-DLBZAZTESA-N 426.525 1.678 30 10 IDEE Cc1cccc(OCc2nnc(N3CCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1304514043 ZPWWQPNENJMYQH-QZQOTICOSA-N 438.488 1.529 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC[C@@H]1CCOC1 1306201083 ZHKDRVCLGHMINI-MSOLQXFVSA-N 440.552 1.660 30 10 IDEE CCc1nnc(N2CCN(Cc3cccs3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306205934 SXRALGFOKSFCFD-VXPUYCOJSA-N 441.561 1.751 30 10 IDEE C=CC[C@@]1(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1320699694 NOISYFIBNKGZRE-KUHUBIRLSA-N 430.523 1.179 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1 1354819616 XQRBSKRYRJWENQ-MOHJPFBDSA-N 444.517 1.378 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)=O)CC1 1358921468 YKSDCZMUZLGQQS-UHFFFAOYSA-N 443.577 1.629 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358964661 DCJUIMKYGBSRHA-WIYYLYMNSA-N 431.562 1.442 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1359000540 YHXLCBZQUHRNCH-STQMWFEESA-N 426.568 1.560 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)OC)CC1 1359047720 QVBLTRIZMDKTNE-MRXNPFEDSA-N 429.496 1.997 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1359127353 OJWUCFRZHMQPQN-KRWDZBQOSA-N 428.603 1.402 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359294410 SMLWXQIEVFDMCX-IRXDYDNUSA-N 439.476 1.403 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1359321233 CEGDCSLQYNAQQT-IAGOWNOFSA-N 449.552 1.857 30 10 IDEE CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccn1 1359596203 DIQLQRHCYPQFAA-JKSUJKDBSA-N 430.534 1.282 30 10 IDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1359724057 FLVHYFTVHHRIAA-ZWKOTPCHSA-N 437.504 1.839 30 10 IDEE CS(=O)(=O)CCn1ccc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n1 1465669550 HGKADMARJUWGPE-UHFFFAOYSA-N 430.534 1.585 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1468372354 DMCKARPTTVKQNA-LBPRGKRZSA-N 434.312 1.246 30 10 IDEE CCc1nnc(N2CCN(CCc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1499193288 DWUIIPLVMAZVKM-GHVJWSGMSA-N 449.559 1.732 30 10 IDEE COc1ccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504314677 XCGWUMFUUSEKEN-IBGZPJMESA-N 440.504 1.721 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1507754110 UNAJAOIVPSEZNS-UHFFFAOYSA-N 446.602 1.598 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507863081 BGZITVYCZMMWQQ-HNNXBMFYSA-N 428.880 1.714 30 10 IDEE C=C(Cl)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@]1(OCC)CCOC1 1507874287 ISHWHPSOLPDPQP-FQEVSTJZSA-N 441.960 1.662 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)=O)CC1 1508087681 PDNFGKRGJBDDNK-UHFFFAOYSA-N 435.488 1.571 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 1508097137 NASUWTHWGAQONY-FUHWJXTLSA-N 438.532 1.552 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@@H]1N1CCOCC1 1512420150 NBDUZJINUHEBKD-XLIONFOSSA-N 437.548 1.452 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1517611238 RWIAYQNJBKQNAW-OAQYLSRUSA-N 425.493 1.084 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539216457 SFSFNSFLRZGROH-ZMMAXQRCSA-N 446.577 1.509 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCOCC2)CC1 1539461976 PMCITSFEVYOLPQ-UHFFFAOYSA-N 438.576 1.643 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1539481218 IRZFFONDXBTCHM-CTNGQTDRSA-N 442.608 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[S@@](=O)C(C)(C)C)CC1 1539489811 NZYRDXUQRLJVHJ-BJLXPSRBSA-N 435.594 1.643 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539643816 XXOBTXPNIVCENU-OXJNMPFZSA-N 429.525 1.383 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1540119941 NOLWMOUCVUGBEH-LJQANCHMSA-N 441.532 1.972 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1541053420 WSZWCICJLJZIJD-GOSISDBHSA-N 434.508 1.246 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1542012009 AHQKXVQSVQTDRG-UHFFFAOYSA-N 447.499 1.886 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1543315250 UGCXHWHYYZAPEQ-QGZVFWFLSA-N 449.529 1.147 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1543518405 SRKAUXDXYBYOPJ-LAUBAEHRSA-N 444.513 1.191 30 10 IDEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555497105 SNDGZBKZYLTRFA-RBUKOAKNSA-N 445.545 1.666 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 1557428374 FBROMHIWZCJXSX-NRFANRHFSA-N 427.526 1.356 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2O)C(=O)OC)ccc1F 1557591498 JSHPFFCGXAXGDD-MRXNPFEDSA-N 436.461 1.510 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCC2(CC1)CC(=O)C=CO2)Cc1ccc(OC)c(F)c1 1564978458 VSEGBJRSMWDKCU-INIZCTEOSA-N 433.480 1.786 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3c[nH]nc3I)C2=O)cc1 1568508713 UDCXNCCSXWHRMY-CYBMUJFWSA-N 435.225 1.417 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN(Cc3ncon3)C2)s1 1568918726 WIBXXXIQSVFJMV-CQSZACIVSA-N 439.563 1.166 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1583957263 CQBVSTYKSJEJGO-OCCSQVGLSA-N 436.427 1.876 30 10 IDEE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584197176 OQLGUYQIHNRMEP-KURKYZTESA-N 442.472 1.380 30 10 IDEE N#Cc1cccc(ONC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 1587205546 YCCRMUYVXUCRMJ-INIZCTEOSA-N 427.438 1.606 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1588053915 IVPWMJHVMXUCDN-ARFHVFGLSA-N 435.575 1.669 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588054964 QQXFTVVYFZFZEE-DLBZAZTESA-N 447.948 1.558 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1588138707 HGLUFWZXRFOSMR-OAHLLOKOSA-N 437.447 1.715 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1CC(=O)N1CCOCC1 1588452183 NMDMTOGBCZBZIN-UHFFFAOYSA-N 427.505 1.574 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1588612273 DBCXDSKNWFPMPN-UHFFFAOYSA-N 440.548 1.204 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2CCCCO2)CC1 1588885385 WIFGOUUQZWARPZ-IBGZPJMESA-N 442.564 1.439 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1589059391 FHMRDNRKQXJNRF-OKZBNKHCSA-N 432.594 1.143 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1589134801 PVBXQNHZQWERFU-FTRWYGJKSA-N 435.550 1.399 30 10 IDEE C=C(Cl)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593909028 WYAZNTYELYWDMD-QGZVFWFLSA-N 428.924 1.353 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNS(=O)(=O)CC)CC1 1594182150 UIFZPDSSUAIHTH-UHFFFAOYSA-N 433.538 1.267 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1594680226 PBWWQGXKRXMNEF-SJORKVTESA-N 426.587 1.013 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1594963453 SWGKNWNYTXLBSA-IBGZPJMESA-N 444.561 1.957 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1595466721 MLBDVBFOBZXZBJ-IBGZPJMESA-N 440.548 1.685 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CCOC2)C1 1595490647 VUJVWPAEXGAPGR-GOSISDBHSA-N 435.326 1.955 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595555524 BHGHCGMEVOJPSA-IBGZPJMESA-N 435.532 1.356 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCS(=O)(=O)CC1 1595805364 OCTFOBUTPKHFHD-UHFFFAOYSA-N 438.575 1.013 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ncnc3ccsc23)CC1 1595805857 WBNYXHGADWRDAP-UHFFFAOYSA-N 447.590 1.773 30 10 IDEE C=CCC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1596593410 OUMLADUFJLVLAV-IXDOHACOSA-N 442.578 1.586 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1611634167 VFIWNOPLMLARJZ-RHSMWYFYSA-N 444.561 1.601 30 10 IDEE Cc1nc(=NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n(-c2ccc(F)cc2C)[nH]1 1611671305 REDKEVMORNESJI-UHFFFAOYSA-N 428.449 1.234 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CSCCS1 1611686160 BFTXQSJZKVWLSM-YWPYICTPSA-N 434.588 1.179 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ccc(C#N)o1 1618311611 ROXCQSLQYUQUFK-UHFFFAOYSA-N 439.501 1.925 30 10 IDEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1618844575 GOCONRMXQHZSQF-SFHVURJKSA-N 432.550 1.475 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCOCCCO)CCO1 1620355094 OIOKEQQQROTLIJ-INIZCTEOSA-N 436.310 1.835 30 10 IDEE COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627136764 OSOLCABSIQPPBE-YCRPNKLZSA-N 430.482 1.439 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCC[C@H]3C(=O)NCC(F)F)C2=O)cc1 1627778745 ZQSXOOGVMHYCAJ-CVEARBPZSA-N 447.442 1.526 30 10 IDEE CN(C)C(=O)Cn1ccc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1631937471 OEDLWMGQVMGILD-UHFFFAOYSA-N 431.294 1.680 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)c1OC 1632985782 SDXLPNSCJSIJIR-KRWDZBQOSA-N 431.470 1.566 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 1633849680 ZGQJYROMVAHBIN-KRWDZBQOSA-N 431.489 1.620 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1635548810 CNQVULVIGQNLGX-IIDMSEBBSA-N 428.514 1.935 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 1636270564 JPCDLTUTISDNGO-ARFHVFGLSA-N 430.571 1.798 30 10 IDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1636888530 FZNYOCOWAUXFIB-FOGNVHKLSA-N 443.566 1.876 30 10 IDEE Cc1nsc(N2CCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1C#N 1641801517 DGRBTPCNZNGTLU-AWEZNQCLSA-N 432.527 1.597 30 10 IDEE CN(C)CC#CCNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1643409713 RFMAGGRRAGIRMU-JOCHJYFZSA-N 448.523 1.450 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](n2ccnn2)CC1 1647875136 ZLNSHTZBYOYPLC-WMZOPIPTSA-N 444.561 1.985 30 10 IDEE C=CCN1CC[C@H](N(C)C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1=O 1653435006 DLYUMMXROGCSLR-ZWKOTPCHSA-N 425.451 1.886 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(c2ccsc2C#N)CC1 1654225698 CKGNWDQUNRIRMV-AWEZNQCLSA-N 445.570 1.367 30 10 IDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCOCC1 1654805158 MTSATLBMLQPUIY-UHFFFAOYSA-N 441.507 1.987 30 10 IDEE COC(=O)[C@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 1654909308 HUELKMHTVHPPLH-IAGOWNOFSA-N 437.537 1.400 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 1665513080 MJCRZMAMYMPWFT-MRXNPFEDSA-N 430.530 1.311 30 10 IDEE COCCS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(C)cc(F)cc2C#N)cc1 1668567558 GLJJJYOTTAUHCH-UHFFFAOYSA-N 426.491 1.904 30 10 IDEE COc1ccccc1[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccn1 1671292536 CIEYJMLBHUSUNY-IBGZPJMESA-N 432.440 1.580 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689993358 BIWMQUVYYHWTGW-SFHVURJKSA-N 436.578 1.443 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1689999894 LJDGWPNGXQUONJ-QGZVFWFLSA-N 428.562 1.384 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1690077571 ROMIOLJBVIENDV-INIZCTEOSA-N 425.555 1.030 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690153996 GRJNQRVGKBAMPW-GOSISDBHSA-N 444.605 1.623 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOCC1 1690251374 UGIPYDJUYKQACY-NQIIRXRSSA-N 432.569 1.150 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1690648175 LPNSWAGPMAPTGA-IBGZPJMESA-N 440.548 1.148 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)C1CC1 1690672567 WHUBHXJWRBFQCR-MRXNPFEDSA-N 434.541 1.877 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1691178769 YLOGZBKTZHHTOE-QGZVFWFLSA-N 425.537 1.953 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCN(C)C1 1692346609 JJLMVAAFPGUAAY-QFIPXVFZSA-N 443.552 1.839 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)n1 1693199945 GLDXVZLJTYWLSS-OALUTQOASA-N 425.537 1.734 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1694031255 NOPNSYYHBLYPIB-JOFJOYRISA-N 427.553 1.991 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1697499155 UHUKCUJNZKUHFV-PKOBYXMFSA-N 440.504 1.339 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2([S@@](C)=O)CC2)c1 1705506053 YZIRMZCDGOCKLG-JGCGQSQUSA-N 449.540 1.702 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1705564248 BJHIPYSYOWHWQV-PMACEKPBSA-N 449.621 1.409 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1705568368 MFJLYONQZBJTRM-LJQANCHMSA-N 446.577 1.359 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1705604359 KXJMSIAHFYGLGT-MJGOQNOKSA-N 432.594 1.959 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705625903 BAVCRRBSGDQMEN-JOCHJYFZSA-N 448.571 1.985 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705698589 WGMAVWQCPUXSDW-OTWHNJEPSA-N 439.582 1.199 30 10 IDEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705806718 KPXJLCMTUHCWNH-HXUWFJFHSA-N 446.596 1.857 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705812373 XZSIJMNVQDGJOJ-HOTGVXAUSA-N 426.587 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1705932531 FYAJPJFJFAKLDP-UHFFFAOYSA-N 442.545 1.522 30 10 IDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCCS1(=O)=O 1706314643 FNENIPNBCGSEBH-UHFFFAOYSA-N 444.565 1.030 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N(C)C 1706808234 DZZUCHZSMMGSHX-HZPDHXFCSA-N 434.566 1.548 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccnc1N1CCOCC1 1722383574 UQZKHVYYTNQNPR-UHFFFAOYSA-N 447.568 1.987 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1722436539 AUKZTURTEWNOCI-ZHALLVOQSA-N 435.594 1.139 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)noc2C)CC1 1722440200 ASYYIGBVTOSXJB-UHFFFAOYSA-N 427.509 1.035 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C(F)(F)C23CCC3)CC1 1722440394 FQQZCEAQHKFWRH-INIZCTEOSA-N 448.518 1.818 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722464868 USOVPKMXJXXPLR-OXQOHEQNSA-N 435.550 1.326 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1722476212 PAOQNNWKFYJZTF-VGOFRKELSA-N 442.589 1.982 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(O)(CC)CC)CC1 1722566419 RGCXODUKZIQMNS-INIZCTEOSA-N 427.571 1.319 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1)C1CC1 1722643767 AGLQQLSMDQQXPH-IBGZPJMESA-N 429.613 1.943 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C#N 1722729204 YBVSWVPMUAJTIP-MAUKXSAKSA-N 431.518 1.987 30 10 IDEE CN(C[C@@H]1CCCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1729473218 MENIGNKWNDZUOI-INIZCTEOSA-N 432.550 1.851 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1731011185 YVDVQRNAFWLUCQ-UHFFFAOYSA-N 427.490 1.325 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740685609 PAIDOCAFISPQIF-UHFFFAOYSA-N 428.537 1.886 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCC=C)CC1 1740697448 DZYKUXGTRNQIDC-UHFFFAOYSA-N 443.573 1.697 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1740710223 SNAVGZKLFPLRHX-GOSISDBHSA-N 434.610 1.428 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cnccn1 1740995204 DGRQPBUJHJZGTJ-AWEZNQCLSA-N 436.448 1.856 30 10 IDEE CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1741248434 XKXUYAKUKMEGLI-SFHVURJKSA-N 441.492 1.693 30 10 IDEE COc1cc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc(OC)c1 1748533261 VUGBMNLPJYXJLQ-VXPUYCOJSA-N 426.477 1.767 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2NC(=O)CC2(C)C)c1 1748695134 YCXHDDNOKCESGX-GOSISDBHSA-N 438.532 1.786 30 10 IDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748773049 SNYVEYRCIMXJCB-BZSNNMDCSA-N 439.582 1.276 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1748842224 HRDMRPFBZFIEKF-UHFFFAOYSA-N 445.527 1.427 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1749053723 KVKGWJUEUICCBF-IIBYNOLFSA-N 430.578 1.995 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749207557 MYXLRNUDKOJJCJ-AUSIDOKSSA-N 446.596 1.638 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@@H]1C 1749655381 JNEBUMNBFHFAGN-HOTGVXAUSA-N 446.577 1.732 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1749670422 QZVXGUALWVGDBF-JKSUJKDBSA-N 434.541 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749723928 DSDDTRVENPQOCL-NRFANRHFSA-N 447.561 1.517 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1749978102 AVVNZVCNKMCYQS-GOSISDBHSA-N 435.532 1.695 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760144622 WOOQNRXNWLPGRM-UHFFFAOYSA-N 444.580 1.685 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1760241715 HNVVFJYQOOJORD-FXAWDEMLSA-N 440.523 1.729 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC=CCO2)CC1 1760261409 QYMJZSVCTRVICK-QGZVFWFLSA-N 426.546 1.370 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760296896 YXKHKAOWRSGLLW-DYESRHJHSA-N 428.562 1.538 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760389834 VGAGYNVYEFWZTN-MOPGFXCFSA-N 437.610 1.693 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2)C1CC1 1760469445 BLHRFZXWTYVZDO-AWEZNQCLSA-N 433.534 1.863 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1760526340 LJZLEKHZGMYAAP-UHFFFAOYSA-N 447.561 1.481 30 10 IDEE CC(C)(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1760769791 FBUGXMWJBBZCQC-UHFFFAOYSA-N 435.536 1.941 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncnn1-c1ccccc1 1762301346 DDPBWQAQVSHJFO-GOSISDBHSA-N 449.519 1.554 30 10 IDEE CCCNC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1764546711 FBMKDJQIRFPYMT-OAQYLSRUSA-N 438.467 1.952 30 10 IDEE CCN(CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C 1765279376 VOVWVKJBJAKQHO-JBACZVJFSA-N 445.612 1.909 30 10 IDEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)c1=O 1765348737 WVYCAQBDSNBJNP-FIKGOQFSSA-N 430.484 1.674 30 10 IDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1765360369 TZTAFVRXJVYQSU-WAYWQWQTSA-N 437.548 1.953 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N(C)C 1771213827 MZXMQOZHTYRFFN-ROUUACIJSA-N 442.568 1.545 30 10 IDEE O=C(O)CNC(=O)C[C@H]1SC(=NN=Cc2ccccc2)N(c2ccc(O)cc2)C1=O 1772723136 LCSYHQSDRPNJIW-MRXNPFEDSA-N 426.454 1.822 30 10 IDEE Cc1ccc(S(=O)(=O)Cc2nn3c(c2C(=O)NCC#CCN(C)C)CCCC3)cc1 1850496272 GZYWCERJTUQMBD-UHFFFAOYSA-N 428.558 1.797 30 10 IDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1853758640 KEGKSYRCQJYNIL-QGZVFWFLSA-N 436.578 1.191 30 10 IDEE CC(C)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854641412 DVWWZKILAQTSIC-QFBILLFUSA-N 432.546 1.569 30 10 IDEE CS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)cc1 1857381586 QXXJFUVLPXHIFP-UHFFFAOYSA-N 425.510 1.765 30 10 IDEE COC(=O)c1ccc(OC)c(S(=O)(=O)NCC#CCN2CCc3ccccc3C2)c1 1891130514 QHJMWXFOXQIKRQ-UHFFFAOYSA-N 428.510 1.822 30 10 IDEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CC(C#N)C2)C1 2025241928 AABQFZGZCNGRQR-LJQANCHMSA-N 449.577 1.398 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2224139589 MNYUNINJPOWOJV-PMPSAXMXSA-N 435.330 1.134 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248416556 VHGAJLKDPOHEFQ-SNVBAGLBSA-N 440.331 1.150 30 10 IDEE CC(C)(C)OC(=O)N1CCC=C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248445553 NMQRUFFWQFOWSA-LBPRGKRZSA-N 436.343 1.763 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2C[C@H]21 2255627793 YPFCJPVODWGHMB-VNHYZAJKSA-N 432.330 1.837 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2255818736 PJMLIXCLQMGWTM-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](COCc2ccccc2)C1 2255876452 MURKNODUQSOIKX-KRWDZBQOSA-N 426.326 1.793 30 10 IDEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256612933 GPNZADBVOVPRPF-MRXNPFEDSA-N 436.314 1.819 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267136331 JJTBDGBYKYOIMY-AEAUEXCSSA-N 448.329 1.119 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2[C@@H]1CCCN2C(=O)OC(C)(C)C 2267176626 CEAUXPDBOJYAMD-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267266409 CMAJYXYQGZVQSK-SJLPKXTDSA-N 446.353 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267551153 JCAJWTVAFPSRGY-KBMXLJTQSA-N 444.341 1.904 30 10 IDEE C[C@H](F)[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284399101 GKIJTWJCBOCKMA-XVKPBYJWSA-N 427.712 1.790 30 10 IDEE COc1cc(C#N)ccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286049154 NENMMLUVMZZTQA-INIZCTEOSA-N 433.442 1.688 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO[C@@H]1C2 2334263013 DTPYHYLQIBNJPC-LKBUQDJMSA-N 448.329 1.263 30 10 IDEE COC(=O)[C@@H](CCN=c1cc(B2OC(C)(C)C(C)(C)O2)cc(C)[nH]1)NC(=O)OC(C)(C)C 2337019717 GJLJNQKDNLQBPC-MRXNPFEDSA-N 449.357 1.979 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2337191411 YSGMAKUGFXFLGE-GASCZTMLSA-N 446.357 1.943 30 10 IDEE C[C@@H](OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N)C(=O)Nc1ncccn1 10498260 LSWCASLQXZSPIR-MRVPVSSYSA-N 427.364 1.718 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 28057644 YZBOBRPHIXDGGC-UHFFFAOYSA-N 427.529 1.119 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 32706393 IXBNWXLQSSSLNA-QGZVFWFLSA-N 443.525 1.804 30 10 IDEE N#CCCn1cc(/C=C/C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCC2)c2ccccc21 110969707 LWQGAGJZSGJXLA-AUGFPLSNSA-N 426.542 1.946 30 10 IDEE N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1 254876195 QTJUBBQJNIXKPS-INIZCTEOSA-N 437.546 1.759 30 10 IDEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc2O1 460770848 NIOVWZUUAGZRPT-GOSISDBHSA-N 439.453 1.806 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1)C1CC1 461808049 GKZMZJZOLXXVQR-DLBZAZTESA-N 425.555 1.335 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1-c1ccccc1C#N 471212049 MQNPPJIYGFTSLA-UHFFFAOYSA-N 430.489 1.731 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)c1C#N 472271015 BJNQHYRKLVRJOT-INIZCTEOSA-N 448.574 1.164 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 486624532 BJVXVKVXJMFQKW-OAHLLOKOSA-N 435.955 1.273 30 10 IDEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490218008 SOEWUDISNNCWRZ-RBUKOAKNSA-N 432.546 1.658 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN([C@@H](C)C(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506641919 IGHLWDYFUCQGNI-RXVVDRJESA-N 449.559 1.740 30 10 IDEE C=CCNc1ncc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)s1 508019458 UHCAIPVWNIQWLI-INIZCTEOSA-N 443.577 1.736 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 508825368 KHVRMZJBYCGZGK-GOSISDBHSA-N 447.561 1.680 30 10 IDEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc2ccccc12 522936076 CCXUYSLWKBLKSF-UHFFFAOYSA-N 449.492 1.948 30 10 IDEE CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 553445839 DTOULOYRBOOZRN-CQSZACIVSA-N 448.505 1.158 30 10 IDEE C[C@H](NC(=O)[C@@H](C)N(C)CCOCc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 558176348 RGRXXQMREBEVTH-DLBZAZTESA-N 444.557 1.920 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C4C[C@@H]5CC[C@H](C4)N5C)CC3)CC2)o1 558987700 IFDWYXASSNDQQZ-YOFSQIOKSA-N 426.565 1.841 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCN(CC)C(=O)C1 582813094 AUTYOYIVMVMHSF-UHFFFAOYSA-N 437.592 1.887 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 588196048 DTDLSYRLZJJKFE-QFIPXVFZSA-N 445.523 1.514 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)CCN2C1=O 611057120 HBMLJYKWVZHDLR-OAHLLOKOSA-N 438.469 1.115 30 10 IDEE C#CCN(C(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 729334727 BSTCQIHKXNOFLO-GFCCVEGCSA-N 434.333 1.115 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 731902022 SYAZXRSSUAHRDD-UHFFFAOYSA-N 434.543 1.333 30 10 IDEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)n1 732466364 MZBIJLBKFCDXPS-LZICOFPGSA-N 426.477 1.277 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c3ccncc23)CCN1C1CC1 732706485 LOSRDYPYIPRSKB-KRWDZBQOSA-N 434.500 1.209 30 10 IDEE C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2F)C[C@@H](C)O1 732708940 WTLVTXFCMIDAJK-RVKKMQEKSA-N 429.496 1.577 30 10 IDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2ccc(C#N)cc2)c1 742104941 PDJYZBAOYVIIBJ-UHFFFAOYSA-N 437.905 1.945 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 751274508 WBNNMUFNMTWKQK-CYBMUJFWSA-N 446.978 1.679 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 752193072 DKMZGJRXZNGZPX-ZDUSSCGKSA-N 432.571 1.135 30 10 IDEE COC(=O)[C@@H](OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C#N)c1 755188218 VHVNGMIRNIJQGH-AEFFLSMTSA-N 445.472 1.831 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 756164988 JBMULVMGCDBLJR-FGLUDEAJSA-N 449.577 1.828 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)[C@H](C#N)C1 757899868 WKUVTZVLPFJINS-CYBMUJFWSA-N 429.520 1.224 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)Cc1cccc(C#N)c1)CC2 760981372 OVNKSYLXORIJDB-UHFFFAOYSA-N 429.498 1.580 30 10 IDEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(c2cccc(C#N)n2)CC1 761037032 KWXGEANNMBZTOL-UHFFFAOYSA-N 425.401 1.410 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ncn(C)n1 768423225 XWVPSYCOAQNCGH-KRWDZBQOSA-N 443.577 1.713 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O 768783175 UZOGFVNFACVPJO-HXUWFJFHSA-N 432.502 1.562 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)[C@H](C#N)C1 779661769 YBLZUCCGBVLTEQ-NVXWUHKLSA-N 429.525 1.878 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)n1 788812802 CRRIYOIJOVMFNT-UHFFFAOYSA-N 425.457 1.730 30 10 IDEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 803851119 ZNFASXKYOJPMKV-QPEQYQDCSA-N 440.481 1.255 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCCO1 1116388443 MKMNNQOYKPEXQE-KRWDZBQOSA-N 436.537 1.855 30 10 IDEE CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1cc(C#N)ccn1 1128192599 RYYYQPLHGNTFKO-OAHLLOKOSA-N 426.454 1.553 30 10 IDEE CN1CCN(S(=O)(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CCCC3)CC2)CC1 1136201762 VNLUFXJBLGTVNX-UHFFFAOYSA-N 445.589 1.006 30 10 IDEE C#C[C@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCCO1 1138445688 DNPOHHBAGZDYTG-PONJGIIJSA-N 438.521 1.631 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CCC2(CCOCC2)CO1 1177601665 ATYJHXCTXNPHNJ-INIZCTEOSA-N 435.546 1.597 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1177622818 MPZDENLWPBEVRB-DNMKQRRRSA-N 449.529 1.121 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 1190485025 FWVRNZMFTHRKSE-UHFFFAOYSA-N 445.523 1.523 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC)c(Br)c2)CC1 1216807317 KWAISDZHPINURT-UHFFFAOYSA-N 445.339 1.465 30 10 IDEE C=CCn1cc(CNC(=O)N2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)nn1 1252076292 CSRNUNIRRZVKBV-UHFFFAOYSA-N 426.521 1.849 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)CC2=O)cn1 1268932214 GMGBVEDAIFSYAT-SFHVURJKSA-N 447.499 1.471 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1286296899 SJKPLPRLIYXNFB-SJORKVTESA-N 448.568 1.913 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286302076 JPMUZZQONBAKGU-HOTGVXAUSA-N 442.486 1.512 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1286322969 IGOJYMUHRZNIAY-HOTGVXAUSA-N 427.596 1.356 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286387726 USLUNPWAYBGPBW-INIZCTEOSA-N 442.545 1.013 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286448169 QOGCFKAZAWJWIH-YLJYHZDGSA-N 439.516 1.745 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2nsnc2c1 1286468763 JCLFLHYTQOWZKI-UHFFFAOYSA-N 425.518 1.540 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)C(=O)NCC)CC1 1286490623 ZDJFWQUTLOQGSN-UHFFFAOYSA-N 425.537 1.401 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286495361 UURIBNYDCWPVKT-SFHVURJKSA-N 443.577 1.675 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC)C1 1286509614 UQXZZRSDSAQAIJ-ZWKOTPCHSA-N 439.651 1.715 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1286709723 CGYNTCBJQLPMIA-QGZVFWFLSA-N 429.500 1.683 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1286786336 RAYKZQAAKUJPJK-MSOLQXFVSA-N 440.552 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286819375 ILOTZHLUVWROHX-INIZCTEOSA-N 432.550 1.341 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286963173 MBTDFJFWMHWJCN-ZIAGYGMSSA-N 437.957 1.871 30 10 IDEE C#CC1(NC(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)CCCC1 1288260114 WIIOQNHFFLJBPK-UHFFFAOYSA-N 449.511 1.117 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCC[C@@H]12 1289917608 OPXYYXOGSZCNHX-IERDGZPVSA-N 448.545 1.773 30 10 IDEE Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCN/C(O)=C1\N=CC=CC1=O 1290722642 LGZHLDHWTUIEJR-JQIJEIRASA-N 438.414 1.502 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nnc(O)n3C2)c1 1291721370 KHKIQUCKSGZIPB-BJTZIBPKSA-N 446.533 1.778 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(CCO)CCOCC(F)(F)F)C2=O)cc1 1295241558 YDROWRHRNKIUJT-OAHLLOKOSA-N 442.394 1.163 30 10 IDEE CCNC(=O)C1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1296266952 DDYAYWGNUHWLSW-OAQYLSRUSA-N 428.516 1.888 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)OC)CCOC1 1296612322 CJOIOAGXBCHUDX-SPLOXXLWSA-N 428.493 1.500 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1297801005 FXUPCSXPUKESNX-DYESRHJHSA-N 429.473 1.454 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)cc1 1300076303 DZAPLMGVFBSUCP-FQEVSTJZSA-N 426.521 1.529 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1301298039 XQTDJNNZUGAYMB-LJQANCHMSA-N 448.593 1.343 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCNC(=O)C1 1301481739 ONNGZOMINFJOJS-OAHLLOKOSA-N 446.939 1.927 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301482881 FFESQWFEBTZQMZ-FZMZJTMJSA-N 448.325 1.053 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1302286374 GTKWVPRXIAZQBZ-ABSDTBQOSA-N 436.532 1.555 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1303003309 FESFMDFPVRMBAK-SJLPKXTDSA-N 426.477 1.036 30 10 IDEE C#CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1303026110 KCYMGIKHFJDSFM-MRXNPFEDSA-N 440.587 1.664 30 10 IDEE Cn1nccc1CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1305732269 VPJVLQIMUBAQCJ-INIZCTEOSA-N 426.908 1.642 30 10 IDEE CCOC(=O)c1ccc(N2CC(NC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)C2)nc1 1312484952 IHQBJMUUWFNVFG-SFHVURJKSA-N 449.515 2.000 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccsc3C#N)CC2)cc1 1348500568 GKMDJDCNBXAQIZ-UHFFFAOYSA-N 433.511 1.943 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1358913091 FRNJGBPUZVBJGL-KRWDZBQOSA-N 437.566 1.031 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C)C1=O 1359002698 JNGATXHLPFRTAH-OAQYLSRUSA-N 444.561 1.133 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1359023228 DNVAORHUHAIWJW-SJORKVTESA-N 448.568 1.818 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOCc2ccccc2)CC1 1359031326 YBYPBOXWFSQFSK-DEOSSOPVSA-N 439.560 1.902 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359035468 VCPNOEZLKGKESQ-SFTDATJTSA-N 430.597 1.632 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1359070971 ZAXWXJIWLZOUGH-PGRDOPGGSA-N 447.605 1.965 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1359098220 YSJXKLZZTDPLEK-MAUKXSAKSA-N 432.550 1.730 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1359133791 ZHYFYUSKBLXIDW-IBGZPJMESA-N 448.593 1.886 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359303947 GIMVPJXDZHHIPD-WZONZLPQSA-N 441.532 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359336298 LAKZOWOQSKSDCN-XLSPSMHOSA-N 440.566 1.503 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1359433419 IGRQWBGLSZVPQR-JPYJTQIMSA-N 435.532 1.648 30 10 IDEE Cc1ccc(C(=O)NCc2cnc(Br)s2)cc1S(=O)(=O)NCC#N 1449407315 JTVPEWCGTGIWPO-UHFFFAOYSA-N 429.321 1.946 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 1450487241 ZJXNIIWESXSDIP-KRWDZBQOSA-N 439.534 1.478 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)Cc2sc(SCC(=C)Cl)nc2C)CC1 1467814234 ITFYAYTZQZCIKH-UHFFFAOYSA-N 426.995 1.732 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1471335364 DDUCTZUVXSWADM-GOSISDBHSA-N 434.562 1.199 30 10 IDEE COc1ncc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N 1471780949 FICXGGWRMVXJJC-UHFFFAOYSA-N 432.458 1.430 30 10 IDEE CSCC[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(=O)OC(C)(C)C 1472192038 RGPZZONTFKOKLD-SUNYJGFJSA-N 431.580 1.420 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1495486251 FCQRUOTZLABLGO-DPHDRGAJSA-N 429.525 1.423 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1501190593 HSBPAKRQEBHKJH-SFHVURJKSA-N 435.532 1.838 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1503526124 VKUSUYWYAOFSEG-ZZEZOPTASA-N 427.484 1.994 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC[S@@](=O)CC 1507703855 HCVMGARMEFWSDU-SANMLTNESA-N 442.383 1.901 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CSCCS1 1507710708 UBOPUDADWMMXOQ-CQSZACIVSA-N 435.575 1.940 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1507828746 GHENAPAAWJTQKI-UHFFFAOYSA-N 448.597 1.800 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1508076212 SJHXJZPAKRHHSH-HUUCEWRRSA-N 431.468 1.859 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508079517 YDGFOEKQDPLCTM-NRFANRHFSA-N 429.546 1.571 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1508087335 OVMMDEBIVPORFP-INIZCTEOSA-N 440.504 1.111 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1508146517 YJPVUFIMTVRDBJ-IYBDPMFKSA-N 439.582 1.744 30 10 IDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1508826071 BUPBHPPRKOUCHU-OAQYLSRUSA-N 425.468 1.943 30 10 IDEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C 1515718659 CGZSSUSCJUEVED-NRFANRHFSA-N 439.564 1.888 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCOC[C@H]1OC 1519321370 TTZLJJXKLDEOOJ-PIKOESSRSA-N 448.568 1.230 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)C1=O 1533487582 KGNUXYSDXHKFOP-KRWDZBQOSA-N 427.457 1.431 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(OC)c(I)c2)C1=O 1534318536 OHCBWVUYCXLGFX-UHFFFAOYSA-N 444.181 1.182 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OC 1535347264 QDVFHJMHJDUTGW-MRXNPFEDSA-N 430.473 1.990 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NCCC 1538982517 FRDZAKDATJMQNL-MRXNPFEDSA-N 446.577 1.570 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1539071848 FZSKBEYXRWPNAE-PXNSSMCTSA-N 434.566 1.545 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCCO2 1539149190 QNPFGKRHCQCQCH-HNNXBMFYSA-N 447.561 1.707 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CCN(c2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 1539206280 NYGSMGDUJSITBZ-ROUUACIJSA-N 431.537 1.879 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1539206900 WRHGJWYLCSVDCO-LJQANCHMSA-N 428.562 1.647 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539220924 WUVPDFATQVSKRT-IAGOWNOFSA-N 437.610 1.798 30 10 IDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539272684 AGENPUSUZJSOGH-NRFANRHFSA-N 439.585 1.808 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2cnc(I)c(O)c2)CC1 1540603225 ZZDZUYQGMYIXOK-UHFFFAOYSA-N 435.225 1.621 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 1540869693 USRRXRLGHZYRHM-IRXDYDNUSA-N 444.923 1.763 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 1542978433 PGUNXMLRGVATBE-SJTPKYKMSA-N 430.436 1.378 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 1543941705 CDYVMTIJSALKEW-FQEVSTJZSA-N 442.560 1.997 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1548316010 HDNTWSWDCIDWLQ-RBUKOAKNSA-N 445.545 1.636 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CCCO)C1 1555983827 DJSZBFAOHPQJJU-IIBYNOLFSA-N 442.499 1.214 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC(=O)N3CCCCc4ccccc43)CC2)c1C#N 1565422578 AEAMITJCLUHIBP-UHFFFAOYSA-N 435.532 1.801 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)s1 1583424088 PUNPIXLFNDNCDD-LBTNJELSSA-N 444.575 1.618 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)N3CCO[C@@](C)(C#N)C3)c2c1 1585432121 VWTXWSQFZWMHFU-FQEVSTJZSA-N 432.502 1.726 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1587414795 SUZNCDNSCSQFIC-CTNGQTDRSA-N 449.573 1.771 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CC2(CCOCC2)CO1 1587516275 PGCDKRRRRHXCOQ-AEFFLSMTSA-N 449.573 1.986 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588034429 FTZWQMCUOOEZQA-SJORKVTESA-N 439.582 1.763 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588041609 YMYRFUTVKWACSX-ADXZGYQBSA-N 448.614 1.903 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(CC)noc1C 1588109478 FPCKGIAHAJSQKA-UHFFFAOYSA-N 427.472 1.901 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1 1588199560 URYULGOWBKMFTJ-UHFFFAOYSA-N 426.498 1.164 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCNS(C)(=O)=O 1588269599 STTWXUDSIZXLEB-QGZVFWFLSA-N 436.534 1.448 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1588386458 PEMLNYXLURUUBX-IBGZPJMESA-N 447.561 1.540 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1588482301 PYWZXDOVJYBFKT-SJLPKXTDSA-N 445.520 1.443 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1589109647 IGYYEDIPXJDVDG-QGZVFWFLSA-N 427.578 1.884 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)s1 1595526125 KPKZITOAIMGRIC-UHFFFAOYSA-N 434.543 1.330 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595866637 SAOKNOOJSSAULB-UHFFFAOYSA-N 437.595 1.515 30 10 IDEE CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1596735069 ACVAHKSRBPOHTJ-UHFFFAOYSA-N 444.543 1.988 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613552952 IYCFUNKELIZBRV-ZZEZOPTASA-N 443.552 1.959 30 10 IDEE 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C#CCNS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)c2ccc(OC)cc2)CC1 1644285634 TYDPDGBGMNDRQH-UHFFFAOYSA-N 435.546 1.296 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1645274469 QJZCFMBHKVQUKE-CRAIPNDOSA-N 439.965 1.087 30 10 IDEE C=CCCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1649115970 PCBLWFPNABOKGC-UHFFFAOYSA-N 443.591 1.549 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)N(CCC)CCC)CC2)c1 1653521976 AULSSYOUUVTEKQ-UHFFFAOYSA-N 449.577 1.300 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc(C#N)cc3Br)CC2)C[C@@H](C)O1 1654966106 HIWLWILXCDZFJW-BETUJISGSA-N 444.355 1.192 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3ccc(C#N)cc3=O)cc2)C[C@@H](C)O1 1656734913 BNHVJSJTTSPVAJ-GASCZTMLSA-N 430.486 1.157 30 10 IDEE CCOc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1658618812 FHZZZMVQOIXSEM-UHFFFAOYSA-N 429.524 1.079 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)N[C@@H]4CCCS(=O)(=O)C4)CC3)n[nH]2)cc1 1671054749 CXTFQTDYOVOZME-QGZVFWFLSA-N 428.518 1.357 30 10 IDEE C#Cc1ccc(CNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 1684048848 KZTNFODFWNQSIY-UHFFFAOYSA-N 428.294 1.392 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1689828825 RSIISZBRLRNOAH-BFHYXJOUSA-N 436.504 1.230 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1690112183 QVEYWJTXUDKOCW-SFTDATJTSA-N 432.613 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)OC)CC1 1690139130 ARJBNVSXQKYKKY-OAHLLOKOSA-N 426.477 1.854 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690308770 ZFRJYYFTYOBGSY-QGZVFWFLSA-N 449.581 1.436 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690508436 JFQPBRXWJIYGRB-SFHVURJKSA-N 443.552 1.808 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1690673774 CXLCEHWTHQUWGY-QFIPXVFZSA-N 426.521 1.076 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1697197369 DBMSJOJAFUKBOQ-JTSKRJEESA-N 437.504 1.810 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C#N)C1 1698317266 JDQLRCXCVKYTTB-OAHLLOKOSA-N 430.490 1.359 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)NC(C)C 1705628954 SXUJWGMLKJAUAO-IBGZPJMESA-N 427.505 1.791 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCCN(C)C)CC1 1705637978 SYHFQHJASNDWKB-UHFFFAOYSA-N 448.575 1.423 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1705641344 BJCPERAWYVVQSZ-UXHICEINSA-N 427.597 1.276 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705739637 MGUDAYOCTIETPM-GOSISDBHSA-N 438.488 1.962 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1705894235 QMIHCOZCLWQHHW-SFHVURJKSA-N 438.532 1.819 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705896371 KICQJHOXPXMHSN-KRWDZBQOSA-N 440.548 1.949 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1705939465 DWQCTRQPRLZYNA-OAHLLOKOSA-N 429.612 1.957 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1709191700 HBZZXMJEXSRZFL-UZLBHIALSA-N 437.548 1.926 30 10 IDEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1710877111 QEZUUMLSSRHWIJ-QRVBRYPASA-N 429.546 1.960 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(CCC#N)CC1CC1 1711019766 GYPHQERAMDHLQK-UHFFFAOYSA-N 446.533 1.695 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCOC[C@@H]1C 1712560770 AKAFAMYBANMFJD-JRBPQWBISA-N 432.569 1.851 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722365130 KIBFHPQVTWLEDK-KRWDZBQOSA-N 430.559 1.339 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722366550 HVKACVIXICSBPD-TVTNDZMWSA-N 443.573 1.826 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1722378877 IMNWVMCPKLODLI-UHFFFAOYSA-N 437.529 1.143 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1722411824 QSADGXGBFYWASV-IBGZPJMESA-N 438.580 1.632 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC(F)(F)F 1722426381 BEUIKYQJACIIGC-GDBMZVCRSA-N 445.486 1.961 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@H]2CCC(=O)N2)n1 1722430139 YKJFAKBTOBNCQX-GOSISDBHSA-N 425.537 1.697 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(N3CCCC3)CCOCC2)CC1 1722447751 OOCBFFWABFYNHY-UHFFFAOYSA-N 428.581 1.451 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722453504 VIAFVYXLSROSAA-QGZVFWFLSA-N 433.578 1.655 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722632817 JIQULAPNXMSHCZ-KRWDZBQOSA-N 441.351 1.879 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1)C1CC1 1722651508 VWRPIVNYPDTLLL-QGZVFWFLSA-N 435.554 1.053 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1722671786 CBPVQWROQQQUCH-CABCVRRESA-N 447.508 1.214 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2cnccc2c1 1722685730 KYXRJJBSMJDDDN-LJQANCHMSA-N 442.545 1.982 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722695282 YPFABTVVICJLDV-LJQANCHMSA-N 435.532 1.277 30 10 IDEE CC(C)(C)NC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1722976348 VFDJLFKUDMITBF-INIZCTEOSA-N 440.508 1.372 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCOC1 1723671284 OMJXYWPKWQHDKO-OAQYLSRUSA-N 447.561 1.871 30 10 IDEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOCCN(C)C)n1 1724493601 GDGRCFDLVKBISX-UHFFFAOYSA-N 448.531 1.762 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1727003073 JXWVDTXRLCOEMG-RYQLBKOJSA-N 442.568 1.572 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1727842865 IZPBGAFWNXVXBM-NFSBEEMKSA-N 432.550 1.988 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740625370 NKXMKUVGYGNRNK-XLIONFOSSA-N 449.602 1.422 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740637758 DGTPCMBGRNIZKY-OAHLLOKOSA-N 440.504 1.992 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)Cc2ccccc2C1 1740680352 ZFRUWEWDMOLXMV-KRWDZBQOSA-N 445.589 1.779 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2nnn(C)n2)CC1 1740693870 PKNVESDGTUXHAT-UHFFFAOYSA-N 442.325 1.035 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1740921534 XZSISTQJIBRMIC-QAPCUYQASA-N 447.536 1.996 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740945294 WITWPBKVMZDCOT-UHFFFAOYSA-N 426.521 1.121 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1741907410 ZTIACWVPZMWYIG-QAPCUYQASA-N 448.549 1.202 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1748671211 GYGQDEJELDBQCS-HZPDHXFCSA-N 434.541 1.569 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1748738687 MKABAFZRHQYVQV-OAHLLOKOSA-N 428.522 1.204 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC=CCO1 1748950662 MXXKEPBFVRWRBV-GOSISDBHSA-N 430.530 1.780 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)C(C)C)CC1 1749329643 QSNUJDGFXZZDPD-HNNXBMFYSA-N 426.587 1.453 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1749458262 XPAPLROFKVWAPA-XDNAFOTISA-N 439.582 1.438 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1750087992 CHUZGYZERKSMQJ-HZPDHXFCSA-N 442.549 1.756 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760137653 LUVSWZRULMCJGI-FQEVSTJZSA-N 428.581 1.720 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1760165784 DZDFIHWZBFLVIP-UHFFFAOYSA-N 429.344 1.007 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760180558 HMWYZLIIBQTLIL-ROUUACIJSA-N 449.602 1.348 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760190341 ZVVVVGVHNUZIAE-QRVBRYPASA-N 437.610 1.385 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1760205435 BFMVFGIHBIIKLE-GOSISDBHSA-N 431.562 1.264 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCOCC2)nc1 1760245994 IAAYBQWFHQEBKB-UHFFFAOYSA-N 435.532 1.650 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1760312683 CEBWPKBORRMVMN-WMZOPIPTSA-N 430.553 1.504 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760407126 VBBRDVASJRIUKP-TWOQFEAHSA-N 441.598 1.875 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1760521910 HIEVRXAALZNNEP-HKUYNNGSSA-N 444.580 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1760553065 KMDPABIXUBPICD-HXUWFJFHSA-N 447.492 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](OC)C1 1760556719 OAFDOCNWSDTTTH-GOSISDBHSA-N 444.561 1.733 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760678121 SHGOHLLBKFRXMP-SFHVURJKSA-N 436.476 1.612 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCS(C)(=O)=O)CCOC1 1761283440 OMNWOBUTFAOYMO-LJQANCHMSA-N 425.555 1.493 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCO1 1765635455 CUXLTVQUTRAIDG-SFHVURJKSA-N 434.504 1.975 30 10 IDEE CN(C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1766925668 DGOSFGIEGLWBQP-MOPGFXCFSA-N 444.561 1.019 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c[nH]nc2c1 1770049552 CYTFLGDFEXZHLE-QAPCUYQASA-N 425.493 1.850 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1770356328 ZLLZENXHVSWUTQ-QGZVFWFLSA-N 434.522 1.408 30 10 IDEE COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771047877 WIZNYUTUDVCDIC-GOSISDBHSA-N 444.561 1.562 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(O)c1 1771219148 JASCNZOPWFFLDF-LPHOPBHVSA-N 426.521 1.933 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1)C1CC1 1771355481 OVOSXMZNFAQTAJ-IBGZPJMESA-N 445.545 1.636 30 10 IDEE CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)c1ccc(C#N)cn1 1851624937 KWNMZVWMQFWHSI-FQEVSTJZSA-N 437.525 1.739 30 10 IDEE C=CCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871627235 MXSZYSOZRJGNAL-UHFFFAOYSA-N 429.492 1.628 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccc(F)c1 1874433822 ZJFDDUXKQMOAEJ-NUGSKGIGSA-N 430.465 1.937 30 10 IDEE C[C@@H](C(=O)N1CCC(COc2nccnc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892204000 IIZMLVIMUBLXFP-INIZCTEOSA-N 443.529 1.820 30 10 IDEE C[C@H](C#N)CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1962359096 WWRSJPXXSDDQHN-CQSZACIVSA-N 434.559 1.827 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCC(=NO)C1 2108229263 SMZNNQXQZQFTRQ-DJJJIMSYSA-N 425.482 1.951 30 10 IDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2213501374 XKFPNSVIPXSUFH-FPCVCCKLSA-N 443.541 1.303 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)C(N)=O 2247259125 KQCAMPRPXVZYHK-GFCCVEGCSA-N 425.266 1.277 30 10 IDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247952944 QNUOWINJHRFJBV-UHFFFAOYSA-N 442.343 1.720 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248406387 XQBPOYHQINHAAC-RYUDHWBXSA-N 439.343 1.751 30 10 IDEE C[C@@H](CNC(=O)OC(C)(C)C)[C@H](F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248413168 SQPYHUKKHPDYMK-QWRGUYRKSA-N 444.338 1.697 30 10 IDEE Cn1cc(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255615454 RSIYOKRIJQPBBN-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255712512 ODLZZNLMFUXQNR-GFCCVEGCSA-N 429.248 1.845 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H]3CCN3Cc3ccccc3)c2)OC1(C)C 2255752872 MURHWHAJMSKZLD-IBGZPJMESA-N 443.378 1.934 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255846825 SSUCEBKAXXDIAT-UHFFFAOYSA-N 437.346 1.663 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256936851 BRYNSWIWXSNOOP-INIZCTEOSA-N 445.350 1.757 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267165172 BEPYBSTVYZIVSM-DGCLKSJQSA-N 442.247 1.305 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267263860 KYPFLEFVDNUIKE-GJZGRUSLSA-N 448.329 1.140 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267516590 GPFPIRYIAWGQQH-CABCVRRESA-N 448.373 1.918 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2267522555 WUGFFHQZUGZWGV-RBUKOAKNSA-N 438.337 1.434 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2315523589 OMQYADOSMVPZMC-OKILXGFUSA-N 434.346 1.813 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2334270182 LUDJNICJAPHJKD-IIAWOOMASA-N 446.357 1.705 30 10 IDEE COc1[nH]c(=N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339784844 IHAYGSYSGKFTOB-HZPDHXFCSA-N 449.357 1.594 30 10 IDEE COc1[nH]c(=NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787755 FHSSUEMIHPWJGT-JOCHJYFZSA-N 449.357 1.595 30 10 IDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2367800703 LUWWWMVUAMPPIE-SFHLNBCPSA-N 434.558 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2c2cc(Br)cnc2C#N)C1 2379838135 KADXKLYBHUWWER-OAHLLOKOSA-N 436.310 1.887 30 10 IDEE COC(=O)c1cc(Nc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])cc(C(=O)OC)c1 40593838 VZWZMHUALTWRSV-UHFFFAOYSA-N 425.361 1.555 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)n1 102744494 FSBGYPVRMFZPOY-LCPUNJGISA-N 440.475 1.986 30 10 IDEE COc1cc([C@H]2C3=C(NN/C3=C3/C=CC=CC3=O)C(=O)N2CCCO)cc(OC)c1OC 136617093 GWXIQVGRCAOJAP-PHJXOXRPSA-N 439.468 1.289 30 10 IDEE C=CCn1c(S[C@@H]2CCNC2=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 431217171 RBRQVFIZVWNNJI-MRXNPFEDSA-N 449.558 1.133 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H](CO)c2ccc(F)cc2)n1 440891121 QOZXDEJLISKOOZ-MRXNPFEDSA-N 427.823 2.325 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 460935100 URURUOPUJKAFDO-BBWFWOEESA-N 426.587 1.106 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 466104295 FWRUQMODNKYNAI-UHFFFAOYSA-N 439.497 1.525 30 10 IDEE COC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 473109119 CKLOZTYGJSUFEV-HXUWFJFHSA-N 442.541 1.832 30 10 IDEE CSc1nc(O)c(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1C#N 479865698 ZHADOPSZKQCWTD-UHFFFAOYSA-N 436.490 1.990 30 10 IDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 508490957 RRUBVRUYGJRHDY-QHCPKHFHSA-N 433.516 1.967 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 508504722 AJOIBGOGOXVJHV-INIZCTEOSA-N 430.456 1.928 30 10 IDEE CN(C)C(=O)CCN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 517603345 CGLCSOZJTIFSGS-UHFFFAOYSA-N 429.340 1.105 30 10 IDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(CC(N)=O)c3=O)cc2s1 519621228 KMKZYMSMFLAIKC-UHFFFAOYSA-N 438.534 1.186 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)n1 531655882 NBZKBZJXNCRTSX-UHFFFAOYSA-N 446.532 1.533 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCSC 537395766 BHUHBRIPNBJCPZ-UHFFFAOYSA-N 432.571 1.014 30 10 IDEE CCOc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCCC1 538404098 RYQATWRQGRDDJU-CQSZACIVSA-N 432.506 1.923 30 10 IDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1OC 544844354 GKYRPRAEBZZQJO-UHFFFAOYSA-N 446.485 1.268 30 10 IDEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546904988 IRNGCDCKKVGNAU-UHFFFAOYSA-N 435.484 1.390 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CCN1Cc1ccccc1 577882465 YJDPIDDGNIBIJG-LEWJYISDSA-N 431.496 1.145 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)COCC3)CC1 578096948 CPTHSCKGIAAYSH-UHFFFAOYSA-N 433.515 1.626 30 10 IDEE COc1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)ccc1C#N 589474514 BDTIGARXJCRPGC-GOSISDBHSA-N 429.498 1.954 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 609185789 ILZRQVAZBHAVAN-FQEVSTJZSA-N 444.513 1.625 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3cnccc3c2)c1=O 683734770 ATHFPVJNQBNASA-UHFFFAOYSA-N 446.532 1.418 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1C[C@@H]1CCCO1 728557706 PPERTOOZXDKECH-SFHVURJKSA-N 440.569 1.332 30 10 IDEE C=CCOc1ccc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 729460238 XSSYEQPJUOIIAD-UHFFFAOYSA-N 431.294 1.906 30 10 IDEE O=C(COc1ccc(I)cc1)NCCN/C(O)=C1/N=CC=CC1=O 731886674 BFBPOGOGSQSDTM-NXVVXOECSA-N 441.225 1.313 30 10 IDEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1NC(=O)c1cccnc1 732706121 FXTPRFLBFIKFOY-GOSISDBHSA-N 448.483 1.480 30 10 IDEE CCc1cnc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 742128919 NWRMVKASRGGANI-UHFFFAOYSA-N 447.586 1.873 30 10 IDEE C[C@@H](CC(=O)Nc1ccc(N2CCOCC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742465092 CHXBHIOOPAIVHU-HNNXBMFYSA-N 428.514 1.979 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccnn1CC1CCCCC1 745099994 LFYNUFHQWSPFHJ-MRCUWXFGSA-N 429.477 1.862 30 10 IDEE Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)n1 750298871 DLHVSAAGSLMEOK-RYUDHWBXSA-N 425.463 1.677 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 752192854 BDCLOBYOMVCCFR-AWEZNQCLSA-N 446.598 1.383 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)s1 752194769 QUHTVZYHAUQRPH-UHFFFAOYSA-N 440.525 1.839 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)CC2 760400336 KRXLCLKTCWKODQ-UHFFFAOYSA-N 435.546 1.982 30 10 IDEE C#CCN(C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@H]1CCS(=O)(=O)C1 774249285 XSUDJDVUZJELKS-HOCLYGCPSA-N 443.447 1.643 30 10 IDEE N#Cc1ccc(NCCNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)nc1 776037046 CBAAJQILMPRRIA-PMACEKPBSA-N 433.516 1.263 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 782822083 GEKNVYGEBSCNBZ-UHFFFAOYSA-N 437.909 1.617 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(CCC2CS(=O)(=O)C2)C1=O 786682934 MTROGMAPRQSWDK-OAHLLOKOSA-N 427.523 1.636 30 10 IDEE CC(=NNc1ccc(-n2cccn2)nn1)c1ccc(Br)c(S(N)(=O)=O)c1 797401656 LDKIKHZWYKBPJS-UHFFFAOYSA-N 436.295 1.908 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@H]2CCCO2)CC1 802682614 WKHZWWHGLCVFSQ-QGZVFWFLSA-N 433.516 1.126 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(-c3ccccn3)c2C)c1=O 802723984 UYMXYFGGJNFQFF-UHFFFAOYSA-N 443.532 1.613 30 10 IDEE C=CCOC[C@H]1NC(=O)N(C2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O 812347064 HDEKOUNWFYFFGA-DAWZGUTISA-N 436.553 1.973 30 10 IDEE COCC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cccc([N+](=O)[O-])c1 814746303 TXYCTAAZCGUHOT-UHFFFAOYSA-N 448.505 1.389 30 10 IDEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1CCNC(=O)CC1 815910265 TVDPGPVQZRUTQW-MAUKXSAKSA-N 446.529 1.425 30 10 IDEE COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 816695659 IBVLPCCKADPVMR-CQSZACIVSA-N 439.877 1.869 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1 858004917 SDESVICQPHUWJE-QWPQOLDESA-N 438.484 1.593 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 916178687 KNYKVMZKCZOLIO-UHFFFAOYSA-N 448.526 1.000 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)ccc1F 919075936 ZBHLXWXNKMHMJU-IRXDYDNUSA-N 440.493 1.617 30 10 IDEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1 1083944134 OKSLJAOUEYICIC-UHFFFAOYSA-N 443.489 1.979 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2nnnc2-c2ccsc2)cc1 1125202238 HZYVGLHPEAZTLH-LTGZKZEYSA-N 445.530 1.853 30 10 IDEE N#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(F)(F)F 1133828283 VVEOHMLHPJFEQV-CYBMUJFWSA-N 425.816 1.935 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c1 1135670750 XAYJFPHWNVZJCV-UHFFFAOYSA-N 437.518 1.247 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F 1142612285 KXIMTTKCJGXTNS-BZSIDJSBSA-N 436.390 1.539 30 10 IDEE Cn1c(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc(=O)n1-c1ccccc1 1156208153 BBAZLIIGOPXVTR-UHFFFAOYSA-N 439.497 1.298 30 10 IDEE Cc1cc2c(N3CC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C3)nccn2n1 1159648352 SNMAQLTWUFIWFB-MRXNPFEDSA-N 427.509 1.930 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 1160002444 UKODCFOAAUHCMM-ZRCAFCQKSA-N 431.489 1.552 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CN2CCOCC2)cn1 1161114792 ZNBACZANADIXCV-OAHLLOKOSA-N 429.502 1.091 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1175514936 KTOFLZCUTGGDSY-UHFFFAOYSA-N 440.736 1.637 30 10 IDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1181592906 BHXDOXMUUIATMM-UAGQMJEPSA-N 435.546 1.988 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OC 1213735484 YNDXUWIDSFQNAT-LBPRGKRZSA-N 431.312 1.976 30 10 IDEE C[C@H]1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN1C(=O)OC(C)(C)C 1234106030 HYXWBKROKGZEBF-XMDUPGNXSA-N 426.539 1.354 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286323603 IYFLSZRVYLJXCY-GOSISDBHSA-N 436.516 1.701 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCO[C@@H]1CCOC1 1286366109 UDQQZSKUIDZJTQ-GOSISDBHSA-N 447.561 1.460 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1286377002 QJDXIIFJLKPQAO-XJKSGUPXSA-N 436.538 1.089 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1286377167 RBIAUNAULRVLOB-UHFFFAOYSA-N 449.602 1.326 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286396210 WBDGBLTVJGQTLU-AWEZNQCLSA-N 425.461 1.512 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCCC1 1286405052 ZZLXHAPXGLPCKM-LJQANCHMSA-N 429.532 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCC1 1286408335 FCXCHNDCHKQGMS-UHFFFAOYSA-N 439.589 1.795 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286506629 KILMGNOPJCHAGM-OAHLLOKOSA-N 432.550 1.407 30 10 IDEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286704169 LKSHVLULHLUIPM-INIZCTEOSA-N 428.468 1.109 30 10 IDEE CC1=CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1290250221 HCLLPZPWRSLPLF-ZZEZOPTASA-N 448.487 1.608 30 10 IDEE COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc(C(=O)OC)c1 1290391693 JJDRTSXFZDGRED-UHFFFAOYSA-N 434.401 1.948 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1291802458 CBNGPUIUASVXKU-WBVHZDCISA-N 442.520 1.996 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)s1 1298297229 UQFIRZNVJUDBRE-UHFFFAOYSA-N 447.538 1.914 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(O)CCCC2)c1 1300330966 FJEHQPZENUNWHW-UHFFFAOYSA-N 438.532 1.778 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300356755 FKXGOWLQNGNVRT-CTNGQTDRSA-N 449.559 1.381 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)cc2)CC1 1300383835 IEOHYQKPTSJRKI-GOSISDBHSA-N 430.578 1.937 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300501373 KWNVLTOHVSRCNW-ICSRJNTNSA-N 449.621 1.358 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1ccnc1C 1300521331 VPFKWULKPVOCOT-UHFFFAOYSA-N 426.488 1.589 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1300548161 HBAPHPRGOIILJA-UHFFFAOYSA-N 428.452 1.711 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300622436 YTEKSTILDNEHAV-IAGOWNOFSA-N 428.537 1.965 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1300630428 UEUMPMDUMWHVFN-GOSISDBHSA-N 431.562 1.761 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1300885959 ULOVKRMGTMJPIH-BBWFWOEESA-N 427.571 1.438 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300989536 PHJLWWMIQYSVRV-QGZVFWFLSA-N 441.598 1.625 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC1CCOCC1 1301501499 YFEQRMSRGPALMT-LJQANCHMSA-N 427.505 1.956 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1301554709 LMLLBPFIVUZOGI-DLBZAZTESA-N 446.552 1.877 30 10 IDEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1 1301583419 NVTPZWDYBWWHSO-UKRRQHHQSA-N 432.468 1.710 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1303640087 HPCSYNZHPFBPOZ-GJZGRUSLSA-N 443.533 1.674 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1)N1CCOCC1 1303697924 AVBJQBVVLWVBPA-IBGZPJMESA-N 439.564 1.306 30 10 IDEE CC1(C)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCS(C)(=O)=O)C[C@H]21 1303950828 JINNSQFWOQZWCC-HDICACEKSA-N 429.546 1.970 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1305146964 ATTXIMQUSLEIGL-HZSHHLKBSA-N 447.499 1.958 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)C2)c(=O)nc1O 1305593353 WBEMGPZUSBSEPG-UHFFFAOYSA-N 432.227 1.405 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1306044579 FJBGRDIWWKYCFG-UHFFFAOYSA-N 448.531 1.572 30 10 IDEE CCCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1306658343 PKKSIGJYJWYAMV-ZWKOTPCHSA-N 426.525 1.701 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1307055111 OSCRYQINKLQMTG-QZTJIDSGSA-N 438.536 1.919 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)C1 1307906904 DWMISIBTVNZBHO-LJQANCHMSA-N 440.544 1.829 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@H]1C(=O)OC 1308154377 WCWFHKAPXCMWHI-QZTJIDSGSA-N 430.505 1.924 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)CC1 1309800556 OTSWPVMFNPOBHD-UHFFFAOYSA-N 434.283 1.914 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1314644045 NSVXCXLDBIZRPF-UHFFFAOYSA-N 437.479 1.807 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1316026694 FIRWZPCNVSSLKB-IBGZPJMESA-N 446.577 1.408 30 10 IDEE C=CC[C@]1(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1320699692 NOISYFIBNKGZRE-AUUYWEPGSA-N 430.523 1.179 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1358886057 WWHFLIVTRXKAHQ-ZWKOTPCHSA-N 449.559 1.854 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNS(=O)(=O)CC)CC1 1359032114 BVEOEZQFHQRURJ-UHFFFAOYSA-N 430.578 1.202 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2cccc(C(N)=O)c2)CC1 1359037769 WYUUKQLPUQBCAN-UHFFFAOYSA-N 449.584 1.731 30 10 IDEE C=C(C)COCCn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1359134203 NRIXGKPSFBSUGZ-UHFFFAOYSA-N 442.568 1.386 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NCC)CC1 1359173631 KREQQCRWBVUYKC-AWEZNQCLSA-N 426.587 1.453 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCOC2=O)CC1 1359174197 XUCRTFKGBUIPAZ-AWEZNQCLSA-N 426.543 1.133 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359198196 KTBQKRRUMKPVAQ-FCEWJHQRSA-N 427.571 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359335085 ZSTABSPOYILNQV-LJQANCHMSA-N 437.610 1.964 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1436029844 PYRVRNRDIGBNCX-IBGZPJMESA-N 429.542 1.588 30 10 IDEE CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1453518775 SMHDWQJAODBWMA-HZPDHXFCSA-N 447.540 1.417 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)C2)c1 1454243358 FHQSERAZFPJFBT-SFHVURJKSA-N 425.876 1.508 30 10 IDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCO1 1460458534 RJZCUWGHSFTOCN-SFHVURJKSA-N 442.495 1.673 30 10 IDEE COc1ccccc1[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccn1 1469661314 YVUDRBBBNWQCEV-ZRCAFCQKSA-N 426.498 1.759 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 1469716424 MJJGPAXQMYCDNS-SGTLLEGYSA-N 447.444 1.331 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 1475622044 ARLVKYUNHAMBMO-UHFFFAOYSA-N 433.964 1.329 30 10 IDEE CCc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)o1 1498283160 CPGCOWJKMQAIFF-OAHLLOKOSA-N 436.538 1.454 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1503104348 COQFUXNEKFHOCA-VGOFRKELSA-N 426.521 1.553 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC1CCOCC1 1507524772 WKKCXCBVBGWLFQ-KRWDZBQOSA-N 436.520 1.964 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC 1507589685 YNOHHXPMHKRUGV-CVEARBPZSA-N 429.612 1.602 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1507628442 HNSPNCRNYIDKRE-LJQANCHMSA-N 427.530 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)COC)CC1 1507740554 BPMGQFKMXBLLCW-OALUTQOASA-N 447.580 1.641 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1508022597 ZOMLXYVAMOQZBW-QGZVFWFLSA-N 439.545 1.988 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](COC)C1 1508070945 GSGRJEQMWOKMBS-SFHVURJKSA-N 442.520 1.301 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1508078701 GMJJGIWFRDVRAJ-INIZCTEOSA-N 428.537 1.795 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1508094166 ZRHUKTNEUSJHCF-HUUCEWRRSA-N 432.550 1.576 30 10 IDEE C[C@H](N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1)C(F)(F)F 1510142517 IOIATBGUSZVBSJ-WFASDCNBSA-N 437.426 1.815 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1512645632 RBUWQCVBQHOQBE-JPYJTQIMSA-N 435.532 1.790 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1518642521 BBYSSYSEBFLWLD-STXHMFSFSA-N 448.524 1.763 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)C1 1521056957 SYTGBMQOWNSGRX-LAUBAEHRSA-N 433.532 1.193 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1539011188 AKIPIZPNGBQSLG-CHWSQXEVSA-N 442.467 1.690 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 1539118655 CTRNQMGGCFCSHJ-SFHVURJKSA-N 437.610 1.388 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1539216761 WUIWUMHLUVHCMH-SFHVURJKSA-N 428.562 1.451 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1539370411 BUHLNQZUCLPSRN-SFHVURJKSA-N 433.534 1.578 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)CCOC)CC1 1539480790 FESKUGSWICQSPY-AVRDEDQJSA-N 433.553 1.273 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2CC)CC1 1539489696 WASNVZRDDDCZMY-UHFFFAOYSA-N 448.571 1.977 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1539491293 ODJCRQMGKWWHCZ-OAHLLOKOSA-N 425.518 1.103 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539903428 ZIYZZZWFGCGQGL-RDJZCZTQSA-N 435.598 1.667 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540033809 PYFSTJIYERHTIL-UHFFFAOYSA-N 431.504 1.921 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1540071941 IUDLQRXLWLEMPQ-MRXNPFEDSA-N 428.555 1.015 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1540905311 VGXNLMUWUDLDKA-OAHLLOKOSA-N 435.525 1.276 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)s1 1543450527 BNDKLFJKIWMRBP-CQSZACIVSA-N 434.605 1.571 30 10 IDEE CCCS(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)N(C)C 1548372680 UFYJUPXRDVOAKK-MRXNPFEDSA-N 432.468 1.896 30 10 IDEE COc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1554759078 OEDIXNJDVISCGX-ZWKOTPCHSA-N 443.504 1.329 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1 1555808474 AQZDIOZKWFPEEG-KUHUBIRLSA-N 436.488 1.808 30 10 IDEE CCOC(=O)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1 1557053875 BTPNPDVPJKIUPZ-KRWDZBQOSA-N 444.513 1.711 30 10 IDEE COC(=O)[C@@]1(N2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)CCOC1 1560012767 YFGARIVJJPQWBS-HTAPYJJXSA-N 446.573 1.969 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 1562544282 XWYNCIDDASEDCE-UHFFFAOYSA-N 440.485 1.507 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1565590398 ZTLBGQTWHAHIGG-VJIACCKLSA-N 432.565 1.473 30 10 IDEE O=C(CC(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)NCC(F)(F)F 1570739294 FVWDCQVTUATVAC-RQJHMYQMSA-N 431.255 1.655 30 10 IDEE Cn1nnc2c1CC[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1570817025 NYSCCDJAEIMFKJ-CQSZACIVSA-N 430.534 1.088 30 10 IDEE C#CCO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1584045021 FHTSYKWTMDMHIE-CQSZACIVSA-N 425.507 1.466 30 10 IDEE C#CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CCC1 1585005720 KJRFDXRWTZCIQK-UHFFFAOYSA-N 445.585 1.979 30 10 IDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccccc1 1585919061 MECKLXDQLLLXSE-FQEVSTJZSA-N 427.526 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1588245367 AGPADUHTLMDXON-UHFFFAOYSA-N 445.449 1.915 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1595550344 CUCKIXWJZQQSAX-BHIYHBOVSA-N 443.573 1.865 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2CCCO2)CC1 1595569677 MYRPNRLEBUEDHH-LJQANCHMSA-N 427.553 1.837 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(OC)nc2OC)CCOC1 1616140190 GEWXNIJYNJBVAK-BTYIYWSLSA-N 430.509 1.987 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n1 1629120225 PBSZIFKJNRCKRV-UHFFFAOYSA-N 433.555 1.834 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(N3CCOCC3)ncn2)cc1 1630386456 UYKDSDAQCSOJGO-MOHJPFBDSA-N 444.517 1.378 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 1634689429 IKUJNVJMROZEBY-INIZCTEOSA-N 443.525 1.901 30 10 IDEE CO[C@H]1COCC[C@@H]1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1635478721 OQSLQFVKEUTERV-KUHUBIRLSA-N 430.484 1.749 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1636966796 FQCWCZOQMMRGJI-IRLDBZIGSA-N 439.487 1.877 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3[C@H]4CCN(C(=O)OC(C)(C)C)C[C@H]43)CC2)c1C#N 1638688847 JQIFADVKCBBDPM-CGTJXYLNSA-N 428.537 1.752 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 1639976484 IRKASZJYZSJPFJ-FMKPAKJESA-N 441.575 1.366 30 10 IDEE COC1(OC)CC2(CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C(C)C)C1 1640314381 HTFSNJWNDPANDI-SFHVURJKSA-N 435.546 1.751 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1644947572 GBBGETWJYRDLJD-NRFANRHFSA-N 431.558 1.646 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2)nc1 1646095887 NVFWGMGKXXMDRX-LJQANCHMSA-N 435.484 1.740 30 10 IDEE Cc1cc(NC(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1654888658 CEXLTTUPWNAMNF-DCGLDWPTSA-N 426.336 1.955 30 10 IDEE C#C[C@H](NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C)c1ccc(Br)cc1 1662181989 SPQPUFDCUWXDIH-AWEZNQCLSA-N 449.286 1.449 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1665733771 BPQDHWPCKSZRJL-UHFFFAOYSA-N 440.465 1.066 30 10 IDEE C#CCN(C(=O)Nc1ccc(I)cc1OC)[C@@H]1CCS(=O)(=O)C1 1670336886 KQXAGBGOBITOIO-GFCCVEGCSA-N 448.282 1.954 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2nc3cc(Cl)ccc3s2)CC1 1680000521 XTAJGXLPSCWRAQ-UHFFFAOYSA-N 441.966 1.287 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCN1CCCS1(=O)=O 1689945343 CSFYRRHDIXDWEU-QGZVFWFLSA-N 447.561 1.922 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689989906 JNSYWOYDYPGGOP-RTBURBONSA-N 446.577 1.742 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1690174834 KSCMCOZWRYAEKL-IRXDYDNUSA-N 441.623 1.604 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690345709 BCDZKDJOCMPLPQ-RDTXWAMCSA-N 440.957 1.418 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1690658850 BRNZFXOKSIYADG-UHFFFAOYSA-N 447.490 1.323 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690676177 RWDXENXCWRJIJS-WZONZLPQSA-N 441.532 1.852 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCOCC2)cs1 1693362460 WBYUJFLEIQVIEL-KRWDZBQOSA-N 431.566 1.473 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1695764947 FMDVBKCLFCUQEH-IBGZPJMESA-N 435.575 1.556 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1695931381 HFBUXANPIIMGOP-QAPCUYQASA-N 444.561 1.717 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1705561514 UQXPIINVZCTPQY-BZSNNMDCSA-N 440.566 1.055 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(c2ccncc2)CC1 1705571761 HJXBCIQSKGCQRM-UHFFFAOYSA-N 431.544 1.899 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1705572356 YVAQHKLSEYVMLG-QZTJIDSGSA-N 449.577 1.159 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1705598643 NRZFUZJWCOHZHB-LJQANCHMSA-N 445.589 1.436 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@H](C)C1 1705613044 UVHJJNDYNTXGEY-KURKYZTESA-N 439.582 1.276 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CC1 1705616546 BSZKHDWJNLVNCY-UHFFFAOYSA-N 428.562 1.594 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1705632145 IVFWKRYYWRHEIN-QGZVFWFLSA-N 447.584 1.475 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2ncn(C)n2)CC1 1705646542 HLMQWUDVCGDTCQ-UHFFFAOYSA-N 432.532 1.650 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N(C)C)CC1 1705650740 XLYLJKQNRBBCSV-UHFFFAOYSA-N 428.562 1.375 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N(C)C)CC1 1705650888 BQLAQIBGDWJPJH-QGZVFWFLSA-N 442.539 1.912 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CC2)CC1 1705651298 QYHHTGJBJCTQTG-UHFFFAOYSA-N 427.480 1.487 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCC 1705672449 YVFJDXPKKNOWAM-OAQYLSRUSA-N 443.577 1.757 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705824891 CWKIWSNMUKBDCG-LJQANCHMSA-N 443.552 1.901 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1706677037 WQYKIRVOBJXAFE-RURFIKTLSA-N 430.509 1.445 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCCN(C(C)=O)C1 1709141650 ADGHARDEYUCLLP-AEFFLSMTSA-N 437.552 1.476 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1710875503 RQCWHWMRJLVMFN-UHFFFAOYSA-N 428.518 1.062 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1C 1711312575 GIOKTSWDJYNDMB-HNNXBMFYSA-N 436.520 1.637 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1711356087 UPNOKWGWMFROFV-UHFFFAOYSA-N 439.520 1.217 30 10 IDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1711464789 ASBJOVYZJPZREH-SFHVURJKSA-N 437.504 1.607 30 10 IDEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1711540537 PVFMFGPWUZUNKV-QGZVFWFLSA-N 427.509 1.622 30 10 IDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1712058219 ARPYPPPMKBQZQW-GOSISDBHSA-N 448.549 1.283 30 10 IDEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1712171507 LEKNIUAPNYCWIB-RBZFPXEDSA-N 429.431 1.618 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1712612025 VOCYTWBMQXHFIJ-FQEVSTJZSA-N 426.521 1.391 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1722332766 OPHRFNVJSGTRRX-IBGZPJMESA-N 425.489 1.499 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)CC)CC1 1722441530 KRXCZQJYWSSGCV-UHFFFAOYSA-N 435.525 1.186 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ncn(C)n2)CC1 1722444201 HFKGJIXBZPEMDW-FQEVSTJZSA-N 446.559 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccnc(-n3cccn3)c2)CC1 1722444258 ICZGNYWCCJDTHM-UHFFFAOYSA-N 432.532 1.996 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722491250 JFNCHUZLLHKWKQ-LMMKCTJWSA-N 444.580 1.700 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1722508410 SDJAAMDZMYHRPU-ICSRJNTNSA-N 426.521 1.616 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722607825 KOGGFLRZBSPFLV-OAHLLOKOSA-N 427.513 1.012 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(=O)NCC)CCC2)C1 1722720447 LRKIFXWXNFTRGP-KRWDZBQOSA-N 430.553 1.488 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)C1 1724004354 RLSIUGMJFZRTGN-HXUWFJFHSA-N 429.912 1.982 30 10 IDEE Cc1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726383256 NYBDQVOQMMJFRN-KCQYIYACSA-N 426.452 1.350 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@@H](C)CC 1740630571 KVJBCAVDWCAZNN-KRWDZBQOSA-N 441.557 1.726 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740637831 AKRHICFCJHDSIL-DLBZAZTESA-N 426.521 1.702 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2([S@@](C)=O)CCC2)CC1 1740698580 XQSLZMAJKCJNEE-GDLZYMKVSA-N 432.619 1.690 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCS(=O)(=O)N1CCSCC1 1740734667 AGJZGORUGANIDL-GOSISDBHSA-N 427.596 1.185 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1740758121 ULPSXBMBKDKQSD-FXAWDEMLSA-N 428.537 1.560 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740784024 GDHLAHWCIFYDTL-UHFFFAOYSA-N 443.577 1.481 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1740953185 YATGJQTVBGUWCQ-HUUCEWRRSA-N 444.467 1.500 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C)o1 1740992039 LQXBJBJMSAUBEP-HNNXBMFYSA-N 442.563 1.319 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740993867 FGGUPCNPGJJXIH-KRWDZBQOSA-N 431.562 1.331 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1746698241 CAXNSKXGAGNIBQ-RTBURBONSA-N 443.545 1.585 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)N(C)C)CCO1 1748208472 BEFHODHQRABTEN-UXHICEINSA-N 439.564 1.744 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1748715968 UCEHBUMSIVJHPL-HXUWFJFHSA-N 430.597 1.966 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1748971473 RGDSPECRBBMEEN-UHFFFAOYSA-N 439.495 1.047 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSC(F)(F)F)CC1 1748978812 PHBNGHVUKZQSJO-QGZVFWFLSA-N 433.500 1.938 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)COCC)CC1 1748983941 DDWZTPSXKCLUEO-UHFFFAOYSA-N 449.563 1.739 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCS(=O)(=O)C1 1749565753 QPVQSKCSDUMOJE-MRXNPFEDSA-N 440.533 1.534 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1749597706 LIEAYTWTXRJDIF-SFHVURJKSA-N 427.505 1.962 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749659688 HTBKZZYLPKLZJF-HNNXBMFYSA-N 430.534 1.378 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1749683310 OYGOFIJTUYHORJ-JKSUJKDBSA-N 434.541 1.877 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1Cc1ccc(C#N)o1 1749932702 UJMLUCDDIFIRQB-WBVHZDCISA-N 430.509 1.820 30 10 IDEE CC(=O)NCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1750036304 PGNCPOPJEQCHMM-UHFFFAOYSA-N 444.565 1.504 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1760099965 OSPCMDNWRYJPER-DYESRHJHSA-N 432.546 1.862 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1760135369 SXGCHOMSKBFFNU-UHFFFAOYSA-N 429.528 1.751 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1760200466 JRTVTLAXHCARFT-JOCHJYFZSA-N 427.512 1.881 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC2CC2)CC1 1760527757 HRPLMQVHGDPIMP-UHFFFAOYSA-N 428.512 1.830 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1761361130 AZGKCYUTGONVSJ-YJYMSZOUSA-N 439.488 1.435 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H](C)O1 1763498495 PPVAXFSQBHIEGI-QFBILLFUSA-N 447.561 1.882 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CN(CC(C)C)CCO1 1764845359 TZDFSZSTPUCIIZ-SFHVURJKSA-N 425.537 1.732 30 10 IDEE CC[C@@H]1CCCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1765105363 BQLYZTLNMSYAKS-LJQANCHMSA-N 437.548 1.929 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2CCCO)CCOC1 1765856670 BKWLTIXNSYYEOF-KNQAVFIVSA-N 432.569 1.517 30 10 IDEE CN(C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1767000301 DULYVRFGJWIUAZ-UHFFFAOYSA-N 441.517 1.713 30 10 IDEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1769180486 DBSYORPESFRGHZ-UHFFFAOYSA-N 426.521 1.960 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)C[C@H]1O 1769449279 LVCBZINPVQKNTL-RTBURBONSA-N 435.488 1.382 30 10 IDEE COCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1769868032 ANRWTLDCQTVRKO-JOCHJYFZSA-N 441.536 1.558 30 10 IDEE COCCOC1(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1771231221 JMJKOQDKLKKQHY-UHFFFAOYSA-N 441.536 1.392 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CCO1 1771537242 KLUQSJRWLUWQEE-CVEARBPZSA-N 434.447 1.988 30 10 IDEE CN1C=N[C@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccc(F)cc2)C1 1851918331 UEJYAAWUGWEJFE-QUCCMNQESA-N 445.472 1.804 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1 1854020730 MFMBNGKPNRVMIZ-UHFFFAOYSA-N 433.436 1.829 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCOC3)C2)CC1 1855452689 QACVJTIVEZKPGP-QZTJIDSGSA-N 431.514 1.371 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CCC2=O)c1 1855688194 DXCVBLJVYJDBBU-GOSISDBHSA-N 429.542 1.838 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(C)c1 1861979574 GBINAFKVZUYWRE-OAQYLSRUSA-N 437.496 1.852 30 10 IDEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(CCO)CC1 1870450274 UEOYUILSMWHUKN-UHFFFAOYSA-N 437.581 1.871 30 10 IDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN(CCO)Cc1ccccc1 1870520839 BGZDIFYXDLGQOC-UHFFFAOYSA-N 429.517 1.170 30 10 IDEE C#CCOc1cn(CCOC)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870559487 CYUTYFYFURMLAA-UHFFFAOYSA-N 426.473 1.737 30 10 IDEE CCC(=O)Nc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889513160 URVPAZXRJCFNBR-UHFFFAOYSA-N 426.561 1.907 30 10 IDEE C[C@H](C#CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)NC(=O)OC(C)(C)C 1902014979 UQWVXKHSLYTKRS-BZUAXINKSA-N 425.526 1.637 30 10 IDEE Cc1nc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247835743 PUNQTJHQCILGJV-GFCCVEGCSA-N 441.359 1.366 30 10 IDEE C=C(CS(=O)(=O)N1CCOC[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247985174 CSLPIQWRKBTXAX-OAHLLOKOSA-N 446.375 1.729 30 10 IDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404776 NBJLANLRWYSTDW-GFCCVEGCSA-N 438.359 1.987 30 10 IDEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618340 HMAYVLRCZFRPPP-UHFFFAOYSA-N 438.334 1.322 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255647376 XUSMVAPECYPPJP-ZFWWWQNUSA-N 432.330 1.761 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2255880427 FXYGXIWWJMTMFZ-OLZOCXBDSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256064175 QLFRNPNIHWKTEX-AWEZNQCLSA-N 432.330 1.763 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1CNC(=O)OC(C)(C)C 2267267562 XOQUMKMVMMBNLU-GDBMZVCRSA-N 449.357 1.594 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267873480 PTVUMBIAOBOUCC-GJZGRUSLSA-N 444.341 1.619 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2315535330 YEUXQGWYEJFLAR-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1NC(=O)C(F)(F)F 2337194300 KPOHRZDREVTWNM-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2356120520 NFRRMTNIUNIEQZ-RBSFLKMASA-N 440.294 1.990 30 10 IDEE CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c1 20437240 SDMNOFWEDFPKRX-UHFFFAOYSA-N 435.531 1.563 30 10 IDEE CCCCOC(=O)N[C@@H](CNC(=O)C[C@@H]1CC(c2ccc(C#N)cc2)=NO1)C(=O)OC 38858527 FTQRLUOLHGFRQY-WMZOPIPTSA-N 430.461 1.625 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 109894422 UDJMEWGJERUSJR-SFHVURJKSA-N 444.538 1.962 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478744991 KERYMDFEDJPMQC-DOTOQJQBSA-N 428.558 1.984 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccn2)c1=O 484540484 FPYPGWCFFMXPGO-UHFFFAOYSA-N 448.573 1.681 30 10 IDEE COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1C1CC1 503533565 SWGIPPJYLRGYGW-UHFFFAOYSA-N 442.497 1.868 30 10 IDEE Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cnc21 507477320 IYFPKLQZHADGLG-UHFFFAOYSA-N 441.469 1.138 30 10 IDEE COC(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1C1CC1 507751359 IOFJXQISOGPQNQ-CYBMUJFWSA-N 442.497 1.600 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(C)Cc2ccco2)c1 522125152 SLCWGLFGAVVIGZ-GOSISDBHSA-N 449.554 1.918 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1[C@H](C)c1cccs1 540695156 XWEQXWRMSRZQSR-CYBMUJFWSA-N 440.550 1.542 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 552006819 NLZGIAIVDSWPLW-UHFFFAOYSA-N 425.558 1.091 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 573528232 YDXNLBBCVULTLT-LJQANCHMSA-N 447.561 1.998 30 10 IDEE COc1ccc(C[C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 582262608 ISZVHQPGHJSHLE-FQEVSTJZSA-N 428.470 1.289 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603797167 DFPVCTHJFIZFQJ-UHFFFAOYSA-N 446.488 1.897 30 10 IDEE CC(C)(C)CC(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609609691 YZIBATXHZXCGAV-GOSISDBHSA-N 439.516 1.870 30 10 IDEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1N1CCCS1(=O)=O 610149262 XTYSAVOWCJIXIQ-UHFFFAOYSA-N 430.461 1.801 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 642710777 IXPVCWJPUGUMIT-WMZOPIPTSA-N 449.581 1.434 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCCN(C)c1ccccc1 727417974 UQPNHQDALVAPGM-UHFFFAOYSA-N 448.548 1.835 30 10 IDEE C#CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 729334031 GUHPUKCQLHLMPO-INIZCTEOSA-N 442.497 1.672 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccccc3C)c2=O)cn1 732560868 AJWDRJKOLMFLCF-UHFFFAOYSA-N 447.564 1.986 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)CC1 752989463 CLHNCFWKAXTZPG-URXFXBBRSA-N 449.555 1.460 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)C1 757587805 BBZIXIGFBLQFGW-CLBVLKOUSA-N 437.566 1.587 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OCC(F)(F)F)c1=O 758079177 GKVVSAVRXCPRLX-UHFFFAOYSA-N 449.454 1.512 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccc(F)cn2)cn1 763235251 VKXJTQHMKJLYFU-QGZVFWFLSA-N 447.540 1.637 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 767880835 KLFHMRRDLLOMNT-XMMPIXPASA-N 442.560 1.710 30 10 IDEE C[C@@H]1NC(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O 778446881 IUGUWMJAFXJFNV-SFHVURJKSA-N 430.512 1.999 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(Br)cc3)n(C)c2=O)cn1 788524519 XJTFXAYURLXQBT-UHFFFAOYSA-N 429.299 1.329 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 790360930 QPVVHSIQMQHLQQ-UHFFFAOYSA-N 438.472 1.210 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)CCN1C1CC1 802222164 YLNZGXLKTHZNJC-MJGOQNOKSA-N 426.546 1.405 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3ccc(S(N)(=O)=O)cc3C#N)C2)CC1 804835727 YEDRBIGXMMIMAK-INIZCTEOSA-N 435.550 1.337 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(=O)(=O)CC 809918055 UJPHKYDOEJSYDX-HNNXBMFYSA-N 443.570 1.643 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 812189886 LCKSNVDQJWRCOH-LJQANCHMSA-N 447.536 1.966 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cc1O 1084459197 QASWFNBXXRSRPQ-UHFFFAOYSA-N 441.517 1.869 30 10 IDEE C=CCOC[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](OCC)C1(C)C)C(=O)OC 1139175781 LUWIOWPRQHNROK-VFCRVFHLSA-N 428.526 1.945 30 10 IDEE C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1141324984 AYNIBXVPKZAXJE-MQQFZKDXSA-N 428.464 1.910 30 10 IDEE CCCC(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1141645882 UNBYBALWYGSBQH-GOSISDBHSA-N 425.489 1.671 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1nc2cccc(Br)c2[nH]1)c1cc[nH]n1 1154515423 RNTLRPFZVYJGLF-UHFFFAOYSA-N 435.238 1.971 30 10 IDEE CC1(C)OB(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)OC1(C)C 1176611627 NKDWVGMGLPIDQS-UHFFFAOYSA-N 433.339 1.810 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)CC1 1222176107 JLINHPVOLIDFMH-MRXNPFEDSA-N 438.550 1.338 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C 1224441582 OZHSODRBMPIROY-UHFFFAOYSA-N 429.564 1.630 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1286288595 HZJXYYHFWGRIDD-GJZGRUSLSA-N 440.529 1.877 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1286387051 NFQOJCFXARFHHW-SFHVURJKSA-N 438.513 1.419 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389932 SZVWQKDHYQGMPB-GOSISDBHSA-N 445.593 1.180 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NCC(F)(F)F)CC1 1286475375 YAFJMNFJJLIZRV-UHFFFAOYSA-N 434.466 1.941 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286608606 SFOVRMJIDCKGFW-KBPBESRZSA-N 438.472 1.540 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC)C1CC1 1286738116 QKZZISDJMRVOBH-NJAFHUGGSA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1F 1286779498 UHUUHMMYUOWXNE-UHFFFAOYSA-N 430.484 1.471 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286786139 YETMCRLPZLAGEW-KRWDZBQOSA-N 425.537 1.631 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1286794057 VAVSDCKVOPTKKB-MRXNPFEDSA-N 426.521 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286815335 RXXFSWRTILWBDX-AWEZNQCLSA-N 437.953 1.866 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1286950807 MRGUXACOCURUEB-UHFFFAOYSA-N 434.508 1.577 30 10 IDEE C#CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C1CCN(C)CC1 1289195108 BGBBLXIDDVKEKM-UHFFFAOYSA-N 449.481 1.916 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1291303633 XTPMUGXGDVBWGA-JPWUFHEYSA-N 443.895 1.745 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1300394539 SGIUGEWHLLBLHO-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1300664056 NTTRSIJPLRXELH-JJCDCTGGSA-N 429.546 1.242 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC[C@H](C)C2)CC1 1300681598 VMERXNQCIOTABD-FQEVSTJZSA-N 429.613 1.684 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1300820052 BSDVNIRWBHPCOJ-YGKKUGEXSA-N 444.536 1.560 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300880803 KVOTYKUAOGCKHA-CTNGQTDRSA-N 439.564 1.532 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1304902623 GDWYGJCPTAJDHM-WBVHZDCISA-N 442.545 1.308 30 10 IDEE Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1ncc(Br)cc1C#N 1306920257 LNTYUXDACRZTOK-VIFPVBQESA-N 428.337 1.973 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)c1 1309667289 BTPOBZURKNBZIC-GOSISDBHSA-N 439.603 1.431 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 1312683383 QOJMZLANWUMEJS-MRXNPFEDSA-N 425.526 1.999 30 10 IDEE N#C[C@H]1CN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CCN1Cc1ccccc1 1313105826 JNMJXESOQLLCOY-GOTSBHOMSA-N 434.544 1.702 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1314967083 XFOZMGWLIQBLQF-OAQYLSRUSA-N 428.562 1.895 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1315120048 ADPJICWNJXUCRF-UHFFFAOYSA-N 439.476 1.547 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1Cl 1349176296 FBBGQERZWROYBL-HNNXBMFYSA-N 446.916 1.571 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc1 1357851539 JUHLGRWKPWRZDS-QGZVFWFLSA-N 438.550 1.977 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358965018 MGWFGQWALYHQHQ-GOSISDBHSA-N 432.546 1.541 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1358978470 NSDKOWDLSLJFSV-LJQANCHMSA-N 440.573 1.543 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)NC(C)C 1359017315 ZWCNEVMUJPDUBI-GOSISDBHSA-N 449.552 1.889 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1359031252 VSNWIATYCRXKDY-FCHUYYIVSA-N 448.637 1.123 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1359056324 COYHOYVUJITJLF-DLBZAZTESA-N 448.618 1.664 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359077728 JQDRTDLQWCKWFG-SUMWQHHRSA-N 428.331 1.770 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1359203396 OJXMZCWJNQNNQC-QGZVFWFLSA-N 438.554 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359332535 ZYCXUCXRNIYGHU-UHFFFAOYSA-N 444.623 1.940 30 10 IDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1360959528 GCYPWWQJXYTEOJ-GFCCVEGCSA-N 431.547 1.894 30 10 IDEE CC(C)(NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc(C#N)c1 1437608888 NRRPSSRMSMXKLL-UHFFFAOYSA-N 426.498 1.344 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)s1 1440685417 TWPCHIOGFCQCPY-IBGZPJMESA-N 449.598 1.945 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)CCOC1 1470982773 BUXCXINYNKPIRR-QHCPKHFHSA-N 441.532 1.186 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c3cnc(Br)cc23)c1 1470988372 ZVKKYSAVBIELGV-UHFFFAOYSA-N 434.275 1.884 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCc3cnc4c(Cl)cnn4c3)C2=O)cc1 1478569457 XDVWAZAANMNVSC-SFHVURJKSA-N 437.891 1.897 30 10 IDEE CC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1494828562 JRBFQBBTOAVNLD-NRFANRHFSA-N 425.493 1.096 30 10 IDEE CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1499594319 JTVPSPPTRIRLPS-ZJYNUGOYSA-N 427.509 1.382 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCCO 1507519916 LDZPPOGPGHATDN-OAHLLOKOSA-N 434.566 1.404 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC(F)F)c1 1507617720 YZSDAIGZALFQAI-AWEZNQCLSA-N 440.472 1.908 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507627226 RGYJEIPCCBVNCU-QGZVFWFLSA-N 447.517 1.905 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN(C)S(=O)(=O)CC)CC1 1507733553 CFDPCCQVPQSNOD-UHFFFAOYSA-N 438.598 1.039 30 10 IDEE C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1507756171 YFENEAHIXAIWAN-INIZCTEOSA-N 448.593 1.695 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507961593 CPPBEKWNUBBCAM-SFHVURJKSA-N 429.525 1.099 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CC)c1 1515771422 GWHUBQXKFFTBBD-UHFFFAOYSA-N 427.534 1.952 30 10 IDEE COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519057278 NBXKPQSOWWVJRT-UHFFFAOYSA-N 447.503 1.555 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2coc(S(C)(=O)=O)c2)c1 1534105977 KJJHTTBYIMQJQM-XDJHFCHBSA-N 425.488 1.748 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1539153337 AKHQSZJPQRGDSW-NRFANRHFSA-N 432.546 1.615 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539213229 XIKCWGNSWUDILA-GOSISDBHSA-N 427.530 1.604 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)OC)CC1 1539452135 LQLVCPWFFNSUJA-ZWKOTPCHSA-N 448.568 1.377 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCn2cncn2)CC1 1539470137 KSOOYEQIIRWQKN-UHFFFAOYSA-N 432.532 1.765 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539520368 QJBYCBQMFFXLBE-UHFFFAOYSA-N 438.536 1.886 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1539630728 GULIXKRXCXHZOR-AEFFLSMTSA-N 425.599 1.930 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539892014 POQROONKDBUMIK-IBGZPJMESA-N 430.578 1.948 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1540867432 WFXDCSMYFACDHH-JOCHJYFZSA-N 427.505 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540899442 OYZLBOATMIWNLC-PBHICJAKSA-N 435.506 1.661 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCOC1 1540904621 OCEHSOUHBCICCC-YJBOKZPZSA-N 434.518 1.617 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCOCC1 1541158512 CFIDQNXQGNZXPP-UHFFFAOYSA-N 425.537 1.710 30 10 IDEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCOCCS(C)(=O)=O 1541370881 NTUKNSFJGVVGSH-IBGZPJMESA-N 447.561 1.912 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1547355926 CGDQHPBWBGLLOY-SFHVURJKSA-N 442.545 1.356 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1555280133 DKRBDEYORUVEDE-ROUUACIJSA-N 430.484 1.234 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1555610208 VBKFZGRIILISBH-RBUKOAKNSA-N 441.511 1.232 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)cc1 1555991118 PJXMAYIXCWWHSH-GOSISDBHSA-N 428.518 1.573 30 10 IDEE C#C[C@@H](CO)NC(=O)Nc1ccccc1OCCN1CCN(C(=O)OC(C)(C)C)CC1 1562915089 HUIHAMMAVPKCLY-KRWDZBQOSA-N 432.521 1.734 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)n1 1564723853 JEHWFFTWVMRYHS-HUUCEWRRSA-N 435.410 1.396 30 10 IDEE CN1CCC(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)(N2CCOCC2)CC1 1564923817 WYDFBLKEPIFKMW-NRFANRHFSA-N 427.549 1.438 30 10 IDEE CN(C)C(=O)CC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1567440902 GASKWAGQHRPFPP-GOSISDBHSA-N 425.489 1.480 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1588229621 ZNSVJDNRAVTTJS-QFIPXVFZSA-N 447.587 1.852 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)CC1 1588791006 KJHACWOVKOIVGE-HSZRJFAPSA-N 447.587 1.809 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CC1 1588865644 ZPDHFXVAVKVFHQ-HSZRJFAPSA-N 438.532 1.271 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1588899222 NCSXNWFNXLMJON-XMMPIXPASA-N 448.527 1.588 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCNC(=O)C1 1595490429 RFFKGKZOPXZEOI-UHFFFAOYSA-N 433.516 1.591 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1595595714 YJXVXHHVHKABMH-UHFFFAOYSA-N 441.536 1.675 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1595812051 LQWNSHKEYZFGHD-OALUTQOASA-N 431.562 1.870 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)OC)CC2)n1 1619467544 FOCWVRSCYMKFEV-INIZCTEOSA-N 434.504 1.977 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccsc2)nnc1N1CCS(=O)CC1 1620385214 QSLSXFJQALJADL-ISLYRVAYSA-N 446.558 1.026 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC(OCC(N)=O)CC1 1620508761 AUTCQMHKUZWNGR-FQEVSTJZSA-N 442.516 1.885 30 10 IDEE COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1625819787 GTLAHRKYYOMHFM-IEBWSBKVSA-N 449.529 1.186 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCN(CC(=O)N4CCCC4)CC3)n[nH]2)c1C 1627181237 WREBWHSZJNIWSM-UHFFFAOYSA-N 439.564 1.846 30 10 IDEE CC[C@@H](C#N)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1629389453 ADXVQMLRHAOXTJ-AWEZNQCLSA-N 428.352 1.917 30 10 IDEE C[C@@H](C#N)NC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1634093778 OZMCWLGSBWFUDF-QMMMGPOBSA-N 445.261 1.990 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1cncc(C#N)c1 1635325825 JWSUJIPXANQLGW-FQEVSTJZSA-N 444.513 1.734 30 10 IDEE COC(=O)c1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1642226298 FLEYJWKKWDMYAF-UHFFFAOYSA-N 429.498 1.860 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3cc(C(=O)OC)on3)CC2)c1 1644219992 VCMGZEKRGLANPG-UHFFFAOYSA-N 431.470 1.393 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)NC3CCC(C)CC3)CC2)c1 1644883331 OUBIWPYNHLVHIX-UHFFFAOYSA-N 439.560 1.629 30 10 IDEE Cn1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cs2)n1 1644910383 DQSMXIFJFUCWJA-UHFFFAOYSA-N 428.543 1.922 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1645666163 JSENSUSLLBUQRM-OAQYLSRUSA-N 440.500 1.296 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1647804962 QQXDGINXFPBVKI-HOTGVXAUSA-N 447.540 1.363 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1649573035 RTLDUNMNWOQEDH-STGLLQLASA-N 425.518 1.808 30 10 IDEE 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10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)COC(=O)N2 1286511018 FIUZBPVQXVPZCH-UHFFFAOYSA-N 429.550 1.585 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286621292 BDMYGKHZRFRVBR-AWEZNQCLSA-N 435.978 1.615 30 10 IDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286689880 FQADCJANCRDONG-PXNSSMCTSA-N 443.552 1.945 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2)C1 1286810495 RYSPFWKMRKRUFN-RTBURBONSA-N 437.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)OC)CC1 1286817975 ZXYKBRJQOCFQST-UHFFFAOYSA-N 448.545 1.944 30 10 IDEE CC(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1287606355 NMRYCEUJZWMZSX-INIZCTEOSA-N 446.581 1.528 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1288521310 ZLEAZNSFYLVHIS-QZWWFDLISA-N 449.581 1.172 30 10 IDEE Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)n1 1290010170 XZOUKTSVPPQVCR-UHFFFAOYSA-N 446.515 1.897 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H]3NC(=O)CC3(C)C)CC2)c1C#N 1290576710 HECFMYWBNCCNJP-KRWDZBQOSA-N 439.568 1.556 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1291252427 TZMPYOFAYHXMEC-YKHTYXQRSA-N 430.509 1.312 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC(=O)N=c2cc[nH]cc2)C1 1292760273 XXWMDIJCWBIDJE-UHFFFAOYSA-N 428.290 1.719 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnn(-c2ccc(Br)cc2)n1 1293032365 MDNICPFHBOMWRZ-BMRADRMJSA-N 431.250 1.286 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2=CCCOC2)c1 1300331622 NMHMZTNNABPCOT-UHFFFAOYSA-N 448.527 1.917 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cnn(C)n1 1300657509 MSMYFNCZHHKLFY-UHFFFAOYSA-N 447.341 1.883 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](CC)OC)CC1 1300698581 VNZOGAJBXPAEED-QGZVFWFLSA-N 435.532 1.372 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2CCCCC2)CC1 1300728903 JJCDUQLWBVKHAI-UHFFFAOYSA-N 426.565 1.947 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300754648 URTDADDCTOAUIV-UHFFFAOYSA-N 425.562 1.107 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1300973225 WFTXRWPSIRSCLC-UHFFFAOYSA-N 431.541 1.101 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCSC2)C1 1301478519 MAWRWPZEUJPTCU-FQEVSTJZSA-N 427.534 1.561 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](NC(C)=O)C1 1301501949 AERSAEVKQLRWQD-LPHOPBHVSA-N 440.504 1.198 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)N(C)C)C1 1301565308 BCOIHIFVUFZJLV-MRXNPFEDSA-N 440.595 1.307 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301606929 YRLWWUZDSIZXIK-UHFFFAOYSA-N 429.550 1.120 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1303435807 DQUJLFVQRUOKIK-LJQANCHMSA-N 426.521 1.973 30 10 IDEE CC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1305301990 WBCSOIUVJVZMKO-VGOFRKELSA-N 442.568 1.573 30 10 IDEE Cn1ccnc1C1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1308047049 FVMRCZBFKMZIOA-FQEVSTJZSA-N 440.523 1.252 30 10 IDEE CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1313496483 IOBCLHGUNUWJIC-MOPGFXCFSA-N 435.532 1.670 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1358873313 HIPFPYQPEAVFGD-ZRCGQRJVSA-N 432.613 1.662 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358961436 ZCMBQRLICADJNM-KRWDZBQOSA-N 425.514 1.664 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1358970351 MLWOJTWNTRKRBR-NZQKXSOJSA-N 427.549 1.650 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359018621 WXBHLBYPKSAUAD-HDICACEKSA-N 434.585 1.390 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1359019119 KQENNURFZZGYGP-BJKOFHAPSA-N 440.544 1.850 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCCCC)CC1 1359035333 QXZGNRVOSQRKET-IBGZPJMESA-N 437.548 1.607 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N[C@@H](C)CC)CC1 1359044264 ASBCSRPYFVXCFE-PKOBYXMFSA-N 444.580 1.790 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2Cl)CC1 1359044355 DDYUGZSYXUIQJJ-SFHVURJKSA-N 440.935 1.897 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CO)CC1 1359293070 FYNAVLPIQDEHIV-UHFFFAOYSA-N 437.342 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359326933 NKEIUXWXASNGEW-MSOLQXFVSA-N 436.582 1.803 30 10 IDEE C#CCN(C(=O)c1ccnc(Cl)c1I)[C@H]1CCS(=O)(=O)C1 1442015803 HHKNICMMECIIFK-VIFPVBQESA-N 438.674 1.602 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1452484868 GWKCUQJGYXMXMP-JXFKEZNVSA-N 437.525 1.834 30 10 IDEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CC(O)(C(N)=O)C2)c1 1454388997 FFUWOLOHFKSOIC-UHFFFAOYSA-N 449.916 1.394 30 10 IDEE C=CCn1cc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)nn1 1455104994 HDAVUYGXIQGELR-BMFZPTHFSA-N 432.481 1.119 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nn[nH]c2C(=O)OCC)cc1 1455640320 LJGJCMCSDKJTRI-OAHLLOKOSA-N 433.490 1.423 30 10 IDEE COC(=O)[C@H]1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C(=O)OC)C1 1466317043 FGPGSVAAJLHAOD-IRXDYDNUSA-N 436.505 1.590 30 10 IDEE CN1CCC(Oc2ccc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)CC1 1470122320 QFHVYLJFSRREKY-UWJYYQICSA-N 432.546 1.239 30 10 IDEE CCOC(=O)C1([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCOCC1 1472167787 CZLRFVNBTUAEJK-ZDUSSCGKSA-N 426.466 1.601 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)C1 1476110156 SHAORAUTADPUFI-HXUWFJFHSA-N 426.565 1.116 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCC2)cc(OC)c1OC 1504077483 AQEHVVHNCFWYSE-HNNXBMFYSA-N 429.477 1.615 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCCC1=O 1505000183 PSDNBYOYZJJOMA-MSOLQXFVSA-N 434.541 1.524 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCCO3)n2CCOCCCO)CC1 1505319782 KMBXRBZFLKHORB-LJQANCHMSA-N 441.536 1.512 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1507623972 ZWARNIZZFILYIS-QFBILLFUSA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507630029 YLNNTLNZUPHHHV-MRXNPFEDSA-N 435.937 1.313 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1507642418 UGQUEJQILZRUSU-QFIPXVFZSA-N 426.521 1.356 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507698274 KNLZNDLRXUHZIG-LJQANCHMSA-N 438.937 1.520 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507711348 UJGHUVOQQDDAGX-DLBZAZTESA-N 445.486 1.521 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 1507729230 ZHVRGYIQPQCQKN-UHFFFAOYSA-N 444.605 1.100 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507750917 HLJHJWYWNFLGHA-JKSUJKDBSA-N 444.565 1.070 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCN(CC)CC2)CC1 1507909037 OVNREYLUNKSIQZ-UHFFFAOYSA-N 429.613 1.831 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1508085598 VSSAHPBNYKBHTJ-UHFFFAOYSA-N 442.524 1.488 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1508107085 AGRCZKRCHGPMCF-KRWDZBQOSA-N 438.532 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCOC[C@H]1C 1508142822 BNVVOJSCIPEFQU-MRXNPFEDSA-N 430.534 1.343 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1515917759 SSENQRBLBZHIMD-DSGGYQJVSA-N 439.520 1.903 30 10 IDEE CC[S@](=O)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516878592 SIVXFXMFBQCDBW-HKBQPEDESA-N 437.529 1.567 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCCNS(=O)(=O)c1cccnc1 1527447896 SAYGHBSFVPATIZ-UHFFFAOYSA-N 439.291 1.189 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)ccc1F 1528591065 UJOBXWAAJYAHTK-QGZVFWFLSA-N 442.509 1.436 30 10 IDEE COc1cc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1538765548 KLKRLKIZXMSBJQ-MGPLVRAMSA-N 429.292 1.477 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1539071703 CZCCXRJBZYKRSY-GOSISDBHSA-N 432.550 1.446 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1539323772 LDEIWFKGUVBBHQ-RBUKOAKNSA-N 431.606 1.764 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1539343606 NMTKHRNILKKMSR-KRWDZBQOSA-N 441.561 1.641 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCS1(=O)=O 1539362301 WSJNQWHEEMBYCK-UHFFFAOYSA-N 441.517 1.089 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539377543 SDNBAWHGAPFIHF-ZWKOTPCHSA-N 448.593 1.064 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1539400488 FMYQJWNNJXWTOD-CQSZACIVSA-N 435.326 1.411 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1539509846 AFBXHQRZOMAWDS-UHFFFAOYSA-N 448.556 1.928 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539517207 KBEKGBSKWACPNJ-DFQSSKMNSA-N 446.621 1.137 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCSC2)CC1 1539889926 DUPDBSSCIFDSHX-IAGOWNOFSA-N 441.623 1.767 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1540853651 HJLSARWUIVRQSC-QWHCGFSZSA-N 425.515 1.159 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1540907885 LLWDIQMBRKVEDR-GOSISDBHSA-N 434.610 1.592 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1541116702 UAELMAUFSNLIQY-BRWVUGGUSA-N 425.555 1.362 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)C1CC1 1541675455 MQZJWQGQQMVVDD-JOCHJYFZSA-N 438.536 1.171 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC(=O)N1 1542054154 NWDVCJPRQMBABY-UKRRQHHQSA-N 444.565 1.564 30 10 IDEE Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)C2)n1 1543003678 FJVVNEHAFFDBJF-IBGZPJMESA-N 433.520 1.955 30 10 IDEE Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)n1 1543003806 IBYWSRVXBMGDTP-IBGZPJMESA-N 433.520 1.955 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1555597046 GSRCBQBQRJCJCE-HSZRJFAPSA-N 440.548 1.658 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1555993685 ASYDGXWALGSSSO-AWEZNQCLSA-N 426.374 1.415 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 1556643014 CPJYYMGBIALXCA-JEDBISTDSA-N 445.545 1.735 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCSC[C@@H]1c1cnn(C)c1 1558592803 LFGOXFAGMVSOHT-RDTXWAMCSA-N 433.559 1.665 30 10 IDEE N#C[C@@]12CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]1CS(=O)(=O)C2 1560168163 BMPGRHZZTQJVKZ-GUYCJALGSA-N 437.319 1.793 30 10 IDEE C#CCN(CC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C(=O)OC(C)(C)C 1565685237 RMUYEUJOXCCHMI-FQEVSTJZSA-N 442.560 1.870 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N(CCC(F)(F)F)C[C@H](O)CO 1566489609 NEZULVFGJSTPJH-JTQLQIEISA-N 425.201 1.834 30 10 IDEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1587786867 BUUPNQDOGZEOPP-IBGZPJMESA-N 427.505 1.620 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1587831695 RMNZOHTUJVBZCE-QGZVFWFLSA-N 447.561 1.894 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588070353 ZIHSCVBROGDYQB-DLBZAZTESA-N 449.552 1.573 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1588129194 ZUZSQAFOXUCTKE-VXKWHMMOSA-N 446.555 1.307 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1 1588199167 IGWPOBFWVFFZFL-UHFFFAOYSA-N 439.537 1.928 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1589036327 CMZRUTCOSGRLRJ-OAHLLOKOSA-N 434.543 1.664 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1589089047 NCWDSFWYEZQADW-GOSISDBHSA-N 425.562 1.671 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1589483228 NLNZTPJLAQJMBS-OAGGEKHMSA-N 427.571 1.267 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1593689923 GDYIZTJMIADFEL-MRXNPFEDSA-N 431.497 1.376 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(c2ccccc2CO)CC1 1595543904 BIHOZQCPSXLHEU-LJQANCHMSA-N 425.533 1.961 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595593354 BLWLJHOEQBSTGN-QGZVFWFLSA-N 440.573 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595812472 VJVXQWOYUGIMTK-QGZVFWFLSA-N 447.536 1.420 30 10 IDEE CC(=O)N1CCN(CCn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1596297615 SJXOCCOROMCQNC-XMSQKQJNSA-N 447.584 1.221 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1611676648 AJBIKNYIOXQZFM-GZRFBZBPSA-N 436.582 1.833 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)O)CC2)c1C#N 1612469978 KFTLNFABLMGXQV-MRXNPFEDSA-N 428.541 1.183 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N(Cc2ccccc2)C2CC2)c1=O 1614781504 ZHKMEDDUKDGPSV-UHFFFAOYSA-N 438.484 1.415 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1620041368 GMHDOEAQEABXRK-QRWLVFNGSA-N 429.456 1.140 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1620324922 IJYXUOUTSHGMPD-VFAFWLKOSA-N 444.536 1.702 30 10 IDEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1 1620451561 GSELUXGXZMGRAO-KRWDZBQOSA-N 437.562 1.435 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)nn1 1622441450 MIEDYIBOEMNUQJ-MOPGFXCFSA-N 449.533 1.310 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cc[nH]n1 1626044135 LCEVRHRYRZYNQT-CQSZACIVSA-N 437.497 1.599 30 10 IDEE C[C@H](CC(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1634965573 PFBPTHMNKLCSMA-ZUOKHONESA-N 434.518 1.241 30 10 IDEE N#CCCn1cc(C(=O)NC[C@@H]2CCCCN2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 1637250019 PEMZSLFQGKMEGR-SFHVURJKSA-N 426.477 1.949 30 10 IDEE CC(C)(C)OC(=O)[C@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1643814319 IBITXXBVNSJLAN-DLBZAZTESA-N 434.562 1.499 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)c1 1644563629 LZRZNUFKDHUZCT-UHFFFAOYSA-N 426.560 1.464 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1648586478 MKNUKNXGELFEIS-INIZCTEOSA-N 425.938 1.824 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 1652921652 FJRBWKWHZMEKKN-QQMHEVNUSA-N 430.892 1.977 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1CCNC1=S 1654098792 DFQOQIBNNCQDPH-QGZVFWFLSA-N 429.546 1.699 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)cc1 1662047220 CISNOSBLIMPINB-UHFFFAOYSA-N 434.539 1.962 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C1CCOCC1 1663235717 QWGYVPORHOXYEB-CYBMUJFWSA-N 438.474 1.366 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(Sc3ccccc3)ns2)CC1 1667794088 NTAFPNRXHMJOFA-UHFFFAOYSA-N 438.560 1.306 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1680531472 HWECTKDZTBTJJY-CQSZACIVSA-N 449.576 1.310 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(n3nncc3I)CC2)C1 1684083505 WBEMJKQKTYJVDZ-CYBMUJFWSA-N 442.305 1.327 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)NC(C)C 1689841801 OENAZSHJTWEIMS-HNNXBMFYSA-N 435.550 1.748 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1689930618 VVCCIPIOLIJUJK-LSDHHAIUSA-N 431.509 1.506 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941279 LMSOLDCCETYFKD-HTAPYJJXSA-N 444.536 1.205 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689988880 XWVMAAPBEYBILK-IEBWSBKVSA-N 445.593 1.037 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1689998856 ZCKOYPRCOBJKNO-KSZLIROESA-N 434.518 1.270 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1690043633 IAGIMFWHZIFPCP-PMERELPUSA-N 427.530 1.770 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCCCC)CC1 1690122363 OSMUNQMCSXDHQW-UHFFFAOYSA-N 428.537 1.968 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)C(=O)NCC)CC1 1690146483 OUVZFADVEDQKAN-UHFFFAOYSA-N 430.597 1.995 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690744423 OVWASNZOUVXAIQ-IAGOWNOFSA-N 448.593 1.858 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1693550178 BJVDHJQKMGQBSI-FXAWDEMLSA-N 437.548 1.330 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1695645297 FNRLPQAONRUTCJ-QGZVFWFLSA-N 441.536 1.285 30 10 IDEE CNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1696955716 AKZLAKUMNXIMBG-LVZFUZTISA-N 427.509 1.034 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705569864 KSOCHXUYYGRYBC-MOPGFXCFSA-N 447.630 1.897 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705571364 YYNHWZOOQMOYJW-APWZRJJASA-N 437.591 1.422 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)c1 1705583489 ZDYUHIDFCSPKRD-UHFFFAOYSA-N 443.559 1.891 30 10 IDEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1CCNS(C)(=O)=O 1705601833 BFUIHRVKPFKULN-UHFFFAOYSA-N 431.587 1.891 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)Cc2ccccc2)CC1 1705638410 KEPKEHPEMLUUNI-OAQYLSRUSA-N 435.576 1.507 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705651794 HVLFCLGOWIFIBU-DOTOQJQBSA-N 432.594 1.620 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705662882 OQNWGTVHFSPZQU-QGZVFWFLSA-N 439.545 1.103 30 10 IDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C(C)=O)CC1 1705719899 OYBMAQMLHILIHV-UHFFFAOYSA-N 428.585 1.706 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705888160 HZORCMJYJOWUGF-JJTKIYQPSA-N 431.562 1.979 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1705902481 FTHOPHBNORJTMO-INIZCTEOSA-N 427.505 1.664 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705905908 LIOZJCZASJBFHD-GOSISDBHSA-N 430.578 1.534 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705907814 YJVOWRGKVSHXFM-JPYJTQIMSA-N 441.532 1.586 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2CCC[C@H]21 1705930172 HMMPXPRPCCQZLP-HRCADAONSA-N 445.611 1.258 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1707951284 INYSWDQAEYIPQH-UDJKBAMHSA-N 435.488 1.138 30 10 IDEE CC[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708846236 XMMYPNWBILHJRP-UGOXKZBKSA-N 427.509 1.382 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1711513326 CCQNFKWEONILFR-PBHICJAKSA-N 427.484 1.601 30 10 IDEE COCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712615364 IJRICZIHGFMOQW-IBGZPJMESA-N 426.521 1.793 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1712638061 ZGPJEYPGRMOSLS-ULQDDVLXSA-N 445.524 1.120 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1722302419 IINPPDUBUTVALD-GJZGRUSLSA-N 425.555 1.853 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722361146 LTXRRFHKWRMWTP-JQHSSLGASA-N 432.550 1.120 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1722387889 QERUNEZILDNWFI-ZACQAIPSSA-N 426.521 1.400 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1722402248 JURKQJIHIOMSRQ-AWEZNQCLSA-N 442.586 1.651 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(C)(=O)=O 1722422815 UHFUSQMLLJREPX-UHFFFAOYSA-N 427.530 1.932 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCN(CC)CC1 1722430917 KUNYYFCBVOVUMG-KRWDZBQOSA-N 427.553 1.491 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1722438370 WVTJZWLZVXLKPO-QHCPKHFHSA-N 436.604 1.847 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722439820 QSWCIRLIAXLLPP-LJQANCHMSA-N 441.605 1.648 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2CCC)CC1 1722447570 MKXMUUWZESZDMP-KZNAEPCWSA-N 433.578 1.507 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1722448219 WICYJZSEJAUQJA-HSZRJFAPSA-N 426.565 1.453 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722629021 KMHXPSSTSCQMQX-OAQYLSRUSA-N 431.562 1.872 30 10 IDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722741141 ATCYQYGCBMOKCH-UHFFFAOYSA-N 441.561 1.704 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1722862980 GDYDNHGMRCDYFY-IXDOHACOSA-N 445.593 1.935 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1722868042 IMYLXIUXNMZSGG-DOTOQJQBSA-N 444.540 1.964 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1722880121 MCYQCOALSQCNOB-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE CC(C)(C)OCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1723014019 GNBXLADJNNMAKY-SFHVURJKSA-N 440.552 1.996 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1723773371 FDCOQNYBPNXYAD-VFNWGFHPSA-N 440.529 1.781 30 10 IDEE CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1729529780 ZBYHAMXXWUGCOH-GOSISDBHSA-N 438.536 1.919 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@H](C)C2)CCO1 1729680748 HNFQLDWGQDCCRV-HLIPFELVSA-N 438.532 1.973 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730490815 XNLJNRVYQBZMSV-OWCLPIDISA-N 430.488 1.143 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cnn(C)c2)CC1 1740595826 YYTVKRCMGFTBPT-UHFFFAOYSA-N 438.561 1.743 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OC 1740607176 HDLFKQGBASXGEF-UHFFFAOYSA-N 425.518 1.760 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1740616311 YNQSTMVOJOEQHR-KRWDZBQOSA-N 429.546 1.350 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1748672373 SUCOMZNHEOZIIX-INIZCTEOSA-N 431.566 1.345 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748741055 YZEIVYLUNGKBJR-UHFFFAOYSA-N 431.500 1.157 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1748776769 PJTFHIVRIPIFGQ-KRWDZBQOSA-N 444.561 1.180 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(F)cc1 1748789723 AWTIBLOMKCUNCI-CRAIPNDOSA-N 435.525 1.623 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1748829677 GTOFZNGHPXHIAX-HSZRJFAPSA-N 439.516 1.852 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1c[nH]nc1C 1748842647 QJONSUUKDUAORO-UHFFFAOYSA-N 440.511 1.929 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1748979361 YALXGFKXLUYJRZ-AUUYWEPGSA-N 449.353 1.331 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](F)COC)CC1 1748979400 ZCBYWRVSYDVZKJ-CQSZACIVSA-N 425.306 1.775 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOC)C1 1749084450 YFNPZJJGYGBHNI-AWEZNQCLSA-N 428.331 1.664 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749391698 QYCKXNDKVLXSNI-HIFRSBDPSA-N 439.542 1.514 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1749488961 PPWLSCMCUYVBFR-KURKYZTESA-N 440.614 1.354 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H]1O 1750339242 LHCIVMZNTGLPPK-APWZRJJASA-N 438.532 1.982 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1750986303 DWDUGYUUVSMSON-UHFFFAOYSA-N 439.520 1.060 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@](C)(CC)O1 1760175472 KKBYEHXQJJODSA-GJYPPUQNSA-N 425.555 1.028 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1760232552 APEMQEAEYWJNRN-HUUCEWRRSA-N 443.520 1.506 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760279407 CHEGGHJRFAXGAX-UHFFFAOYSA-N 434.529 1.459 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@](C)(C(N)=O)C1 1760514853 HDCXFKQDYHUDGV-QFIPXVFZSA-N 434.504 1.339 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC=C(Br)C1 1760548581 KWCNDAMRKFUBIA-UHFFFAOYSA-N 446.371 1.506 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1760709660 YMOHQLLKDBTCOF-UHFFFAOYSA-N 440.548 1.910 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1763243966 AIJGCFQBOJBSAA-BBRMVZONSA-N 425.518 1.747 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1763926700 DNXVYXJTNCMWBM-IPELMVKDSA-N 435.532 1.836 30 10 IDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1=O 1765474406 LLOLZVGIYLFCMZ-GOSISDBHSA-N 435.532 1.790 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCN(CC)CC2)CCOC1 1767424082 GBJDSKULSMADJF-HSZRJFAPSA-N 445.612 1.698 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1769118971 DLBHEWQPYOLFCQ-KRWDZBQOSA-N 439.564 1.746 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1771050567 SQUUTDOCLHTYCC-GOSISDBHSA-N 437.504 1.620 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1771354714 FICFXSOHBIWHQH-GOSISDBHSA-N 425.461 1.873 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)NCC#CCN1CCc2ccccc2C1 1850297044 OOQGIANNMYRMLK-QGZVFWFLSA-N 429.517 1.670 30 10 IDEE C=CCN1C[C@H](C(=O)N(C)c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)CC1=O 1852763158 XJNQIGATTCGDFB-CQSZACIVSA-N 438.509 1.979 30 10 IDEE C=CCN(C(=O)[C@@H]1CS(=O)(=O)CN1C(C)=O)c1nc(-c2ccccc2)ncc1OC 1853101792 MZRSPAAZTYECBW-INIZCTEOSA-N 430.486 1.274 30 10 IDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2=O)ccn1 1853863015 GERRFYCXUNRDMC-UHFFFAOYSA-N 438.387 1.645 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1854249127 LDFJYDKWISFKCE-MSOLQXFVSA-N 436.509 1.342 30 10 IDEE Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1C 1854487315 HXRXDDIFDPZPPP-QGZVFWFLSA-N 433.530 1.908 30 10 IDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855164357 ZNFIHUVYKQHOHY-MOPGFXCFSA-N 437.606 1.998 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1855427138 KJHGZBIGUJFXOH-GJZGRUSLSA-N 431.514 1.529 30 10 IDEE N#Cc1ccc(NC(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)cc1 1860880042 RSJRJBICLACPNS-UHFFFAOYSA-N 433.384 1.603 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3ccc(F)cc3)cc2C1=O 1870098513 IILOTLLZHASFDA-UHFFFAOYSA-N 426.389 1.305 30 10 IDEE COCCOCC(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1C[C@H]1CCCO1 1873710347 AWFZDQISUNDQEA-CQSZACIVSA-N 431.514 1.808 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(=O)n3cc(C)ccc3nc21 1875239233 BLGKWMBQAZBGJN-UHFFFAOYSA-N 429.484 1.896 30 10 IDEE CC1(C)OB(C2=CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)CC2)OC1(C)C 1929610569 CKAZIXJYYRKSAH-UHFFFAOYSA-N 446.334 1.876 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 2010382447 CQTLEPGPJJGYQZ-ZDUSSCGKSA-N 446.289 1.911 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2023459212 ATWQSJPYSSHAMF-OAHLLOKOSA-N 440.541 1.919 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2025607847 KBJUSUZBMZQGHB-QZTJIDSGSA-N 429.521 1.382 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC2CN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243494344 ZNNIGBBWYJPUDV-UHFFFAOYSA-N 438.293 1.527 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255606940 YIGVYBSQZRWVLA-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE Cn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2255655262 JYXDIHVQXSDVTM-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255696633 XBNBGHXIEHVIKW-KBPBESRZSA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255862070 PUOCHRFHSFBBAA-ZBFHGGJFSA-N 435.330 1.726 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2256037829 DBUPXMLFXSROSI-UHFFFAOYSA-N 432.330 1.137 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256059445 KZDDQTUNEIDVGD-OKILXGFUSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)O 2256673158 QXFFHTDVOZQEBZ-OAHLLOKOSA-N 435.330 1.984 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)[C@H]1OC 2256740133 RUHGPZFRWXBKHE-PMPSAXMXSA-N 440.346 1.940 30 10 IDEE Cc1c(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267146614 OVIUUEKQXDKJTH-CABCVRRESA-N 448.373 1.918 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267280476 PFFCOASDNOSAFT-RDJZCZTQSA-N 447.341 1.793 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267522719 VYTSDXDZABFYBD-DGCLKSJQSA-N 444.263 1.248 30 10 IDEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267596999 NSISFEWASHVIRP-UHFFFAOYSA-N 449.361 1.680 30 10 IDEE C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC=Cc2ccccc2)CC1 2330946115 JUKYMNUXLKURMX-SFHVURJKSA-N 438.553 1.971 30 10 IDEE COc1[nH]c(=N[C@H]2COC[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339788774 UVEVJKQTIKOPSY-HOCLYGCPSA-N 449.357 1.763 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 109935797 GSZZBXYGPQPVCS-JSGCOSHPSA-N 426.420 1.809 30 10 IDEE C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 109938602 SXGCNSYIHRGDCV-QRWLVFNGSA-N 427.486 1.119 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCCO)c2ccccc2)CC1 431005864 OYFCOWPUPYLIAD-UHFFFAOYSA-N 442.541 1.280 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 446199109 BLFPMBQVJHWQKY-UHFFFAOYSA-N 448.483 1.928 30 10 IDEE CCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447281446 RFKHBLAXGBAUDW-UHFFFAOYSA-N 437.363 1.934 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 461661844 JFCCSGWZDKGRNV-MRXNPFEDSA-N 438.465 1.557 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 466101390 INRMVHZAHAJVFW-UHFFFAOYSA-N 429.502 1.116 30 10 IDEE CCN(Cc1ccccc1)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 480925363 ILEJPIAHCKXYQS-UHFFFAOYSA-N 448.570 1.631 30 10 IDEE CCOC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 481500377 FPDFCMHXRGOYMC-APWZRJJASA-N 443.525 1.763 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 481500380 FPDFCMHXRGOYMC-VQIMIIECSA-N 443.525 1.763 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)nc1 482599731 UQUAITRSDBFTMW-UHFFFAOYSA-N 443.533 1.779 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508732396 HAZAONRRAREMSX-OAQYLSRUSA-N 442.612 1.557 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCC(=O)N(C)C)CC1 508817946 QLVIWIBXRLJAPW-UHFFFAOYSA-N 436.520 1.380 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCc3cscn3)c(OC)c2)CC1 512596625 FKQVEMQZANEARM-UHFFFAOYSA-N 430.530 1.791 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1S(=O)(=O)NCC#N 520863865 LAHFXKKJDBQVHM-UHFFFAOYSA-N 432.546 1.662 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 522530789 UUOIMRIGWGZHCI-UHFFFAOYSA-N 435.530 1.932 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCCC 537397082 PSLVMERIIGJHIY-UHFFFAOYSA-N 428.558 1.841 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H]3CCCO3)CC2)cc1 555400942 QHLVEBPOZQSSPJ-NRFANRHFSA-N 449.559 1.887 30 10 IDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@@H]1CCCCO1 555483710 CNAYOHWFNHWTLN-SFHVURJKSA-N 430.534 1.538 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)ccc1OCC(=O)O 573769787 CYIZGWXNHZGIGT-UHFFFAOYSA-N 436.515 1.606 30 10 IDEE CC(C)(C)c1nnc2ccc(N3CC(C/N=C4/NS(=O)(=O)c5ccccc54)C3)nn12 585594550 REWQJMAKAZZYPM-UHFFFAOYSA-N 425.518 1.597 30 10 IDEE C[C@H](O)Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(O)nc(=O)n2C 606630064 JGJNMLZZGHFALN-XXSJOENDSA-N 437.254 1.131 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729335995 YWYJLIBVBJPYAO-ZWKOTPCHSA-N 438.571 1.045 30 10 IDEE CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732707725 DXLFSQNOXOEUFC-SFHVURJKSA-N 447.561 1.244 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 734292120 CJJFRLATHGQKDA-UHFFFAOYSA-N 437.499 1.671 30 10 IDEE CCn1c(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)nc2ccccc21 734751344 QZTASLZLEOHXBK-UHFFFAOYSA-N 427.534 1.833 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 737306577 NBLGQKOCDKDXJJ-PFONDFGASA-N 426.351 1.209 30 10 IDEE CN(C)CC1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 739084398 DXUZZBVOBSCQBB-QFIPXVFZSA-N 438.576 1.602 30 10 IDEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 740847370 QOKFUCDVROYOHD-HNNXBMFYSA-N 441.575 1.179 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)Cn2c(-c3scnc3C)nc3ccccc32)CC1 742634409 OUJISWZTVCOAHG-UHFFFAOYSA-N 436.541 1.362 30 10 IDEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CN(C(=O)OC(C)(C)C)C1 747964951 ZDMCQGCIHDCENQ-CQSZACIVSA-N 436.534 1.693 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 753506699 SCRSQGMAZYHENH-MRXNPFEDSA-N 430.288 1.922 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCC(OCCCO)CC2)c1 757202244 XNRUOLCKRGQAHX-ZBJSNUHESA-N 438.550 1.895 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2OCC2CC2)c1=O 758059675 RNKPOWJQOSRCNQ-UHFFFAOYSA-N 433.533 1.457 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 758769758 JNSLKEAPQADDKM-VYDXJSESSA-N 433.484 1.528 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)C1 758774212 ULIGVSZIPQIMHJ-HZMVEIRTSA-N 434.493 1.873 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1-c1ccccc1C#N 760382493 NXIYCNZJALAMES-UHFFFAOYSA-N 447.545 1.744 30 10 IDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 767363760 WFJXRJMGMXWZBM-CYBMUJFWSA-N 426.336 1.973 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)cc2C1=O 774930173 GYHJQBDWNUYXFT-CQSZACIVSA-N 438.358 1.748 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCOC)c1=O 794581456 MCZOGHXRZQYSIO-UHFFFAOYSA-N 443.544 1.820 30 10 IDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C1CCCC1 800915782 UNGUQNPWFVWHPN-UHFFFAOYSA-N 435.521 1.697 30 10 IDEE COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC(=O)NCC#N 807555249 XLNSIMKSHLXRRL-INIZCTEOSA-N 431.493 1.638 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)CC1 812274091 UHQXBZVEUZRPEA-LJQANCHMSA-N 438.488 1.998 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)c(C(F)F)n1 812278175 CVTQPJPUPAYFOF-LBPRGKRZSA-N 448.495 1.490 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1CCCO1 812310913 RUVSFXBXYXKZEW-CTNGQTDRSA-N 436.560 1.873 30 10 IDEE CO[C@H](CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)C1CC1 814707814 XHXLRPCABXONNM-MOPGFXCFSA-N 443.573 1.983 30 10 IDEE COc1cccc(/C=C(/C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)n2nnnc2C)c1 916777771 SXYXQGZNKZWCJL-ODLFYWEKSA-N 438.469 1.506 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 923513037 BUCUUUYFYDOWRY-MLZJXEJWSA-N 425.482 1.949 30 10 IDEE Cc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084051836 VJQRRPYMFPKOSR-UHFFFAOYSA-N 442.549 1.773 30 10 IDEE C=CCN(C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1125884034 NTCWRVHPSMWAQB-HUUCEWRRSA-N 438.550 1.838 30 10 IDEE CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134429049 MIDBTYDDDNNQNW-JHGBEIFQSA-N 429.542 1.383 30 10 IDEE CC1(C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2COC[C@H]2O1 1144297707 IZHGIXYQAXQDEJ-IAGOWNOFSA-N 435.546 1.690 30 10 IDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCc4sc(S(N)(=O)=O)cc4C3)C2)c(F)c1 1148078862 LFOUGUWADYTLNO-CYBMUJFWSA-N 434.518 1.817 30 10 IDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)C1CCOCC1 1148194127 ILDVXSICAVQDAX-ROUUACIJSA-N 440.949 1.418 30 10 IDEE Cc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)cc(C)c1OCC(=O)N1CCCCC1 1150000246 JLRCRCPTKXSOMR-UHFFFAOYSA-N 426.517 1.893 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(C(=O)NCCCO)CC2)C1 1150483748 HSKHMQXREJCMPT-UHFFFAOYSA-N 449.349 1.494 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1152028945 GJNSHENOHCYYKG-QGZVFWFLSA-N 434.468 1.802 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1 1157113325 IZUWFOUTAVLHIV-FQEVSTJZSA-N 439.534 1.253 30 10 IDEE N#Cc1cn(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)nc1I 1189592467 UHINSYKXMLTPOQ-UHFFFAOYSA-N 445.167 1.392 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1286325045 VGZOQJHXQDSGHF-LJQANCHMSA-N 437.610 1.531 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286325691 YNOZNGSXENZRIA-LEWJYISDSA-N 436.560 1.888 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)N1CCOCC1 1286367635 LPUNOSNGPQIXSH-UHFFFAOYSA-N 427.505 1.669 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(C)CCCS2)CC1 1286490684 OVRPJPQRBMJOLY-HRAATJIYSA-N 430.578 1.481 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC(O)CC1 1286531146 RXMMTKGMPIJJDV-GREBRCKQSA-N 431.581 1.841 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1286699974 JBBFMMWNEQAREV-APWZRJJASA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286794006 SFHAAKNVZYAWSV-DOADOZAASA-N 447.580 1.883 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286822807 HRJQQFLCWPEJCJ-GJZGRUSLSA-N 427.534 1.559 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3([C@H]4CCCCO4)CCOCC3)CC2)cc1 1290637101 JLRBIONSJFGXPM-HXUWFJFHSA-N 447.557 1.757 30 10 IDEE Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCN/C(O)=C1/N=CC=CC1=O 1290722645 LGZHLDHWTUIEJR-PEZBUJJGSA-N 438.414 1.502 30 10 IDEE COCC(=O)NC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1290976981 MURGZHUOQCGZFL-UHFFFAOYSA-N 435.322 1.511 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 1291815059 YSCBGSRTOCQKBJ-HXUWFJFHSA-N 444.532 1.778 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1296605607 HWVRENPGRRSWLR-SFTDATJTSA-N 436.532 1.483 30 10 IDEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1298036444 ABVBYMSHLHBWLS-HZPDHXFCSA-N 429.550 1.494 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nccc(C(F)(F)F)n1 1299411909 QWKGTFZJDHWUFI-UHFFFAOYSA-N 427.408 1.631 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1300487158 HAJRHKPNRLARIV-MRXNPFEDSA-N 443.508 1.393 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1CCS(=O)(=O)CC1 1300591187 MWGFDSRVEKYCQO-UHFFFAOYSA-N 428.562 1.427 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCn2cc(C)cn2)CC1 1300726546 NTJUZUPVQSPMGR-UHFFFAOYSA-N 432.532 1.435 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC 1300780791 XGXOOGFGWRJLLW-OAQYLSRUSA-N 428.924 1.990 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301173036 BJHBFBPJDHVKDN-YLJYHZDGSA-N 440.614 1.546 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1301509681 LTYZNXVLCWOSBL-GOSISDBHSA-N 436.520 1.901 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C1(c2ccccc2)CCC1 1301520740 NFQSXXSEVNSBRQ-GOSISDBHSA-N 438.532 1.002 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1301567787 LYQIHIDJDBMWTE-INIZCTEOSA-N 448.549 1.070 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1302417950 CDCOACHVZMGDHA-GOSISDBHSA-N 438.532 1.995 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCCO3)n1CC(=O)NCC(F)F)C2 1302990338 ZTLYHZFXWPAQFH-HNNXBMFYSA-N 447.446 1.436 30 10 IDEE Cc1cccc(OCc2nnc(N3CCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1304514042 ZPWWQPNENJMYQH-MRCUWXFGSA-N 438.488 1.529 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)cs1 1304676537 YCRFKPVRCNIIAA-QGZVFWFLSA-N 429.550 1.765 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1305298492 LNNZIWCMZGEMGI-YVHKJVDXSA-N 440.552 1.710 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)NC(C)C)CC2)ccc1Cl 1307765694 CWIBNCZLWCRUCC-UHFFFAOYSA-N 441.985 1.756 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N=C1NS(=O)(=O)c2ccccc21 1320733510 MNPPLBPANUBKMJ-INIZCTEOSA-N 431.470 1.583 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1358885847 SEIXFRDRIAJKMQ-SJORKVTESA-N 435.532 1.371 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCNS(=O)(=O)CC 1358945086 SUQTWXRDBVAKJG-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC=C 1359003521 ODFAPRQEDUXFCU-UHFFFAOYSA-N 436.559 1.409 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1359018114 FBLYZYQFFXSNDU-NRFANRHFSA-N 443.577 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)COC)CC1 1359046740 DOOGMAKWNXLAIG-UHFFFAOYSA-N 430.553 1.039 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)OC)C1 1359089030 AFLMGDFAFHJEHJ-JZXOWHBKSA-N 440.504 1.906 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1359121605 YSUWFDLZKRCVIF-ICSRJNTNSA-N 440.548 1.367 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(F)c1 1359240367 MNRNOIWHVIJHCZ-QGZVFWFLSA-N 439.513 1.451 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 1359302989 ABISFNCJCNNYDQ-UHFFFAOYSA-N 426.521 1.260 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359330464 SHBMZMWPEDCXBV-HNNXBMFYSA-N 434.522 1.218 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359333309 UBXZCBURYFDJPP-UZLBHIALSA-N 440.566 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSCC2)nnc1[C@]1(OC(C)C)CCOC1 1359335238 FNLOQZUXMVNNME-SFHVURJKSA-N 430.596 1.473 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1359564097 GPBVMFAVAWMZLF-CZUORRHYSA-N 441.492 1.846 30 10 IDEE Cc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1I 1439607842 HKWVMPIWTDICNO-NHYWBVRUSA-N 430.267 1.610 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](N4CCNC4=O)C3)C2)C1 1442732434 POGTXBZQNDNEFS-JBLFJGJOSA-N 431.537 1.789 30 10 IDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(Br)cc1 1450279822 YQLFHKFIDODRLP-INIZCTEOSA-N 435.299 1.812 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)cc1 1452478352 FQESAMCFFHXOQX-OAQYLSRUSA-N 442.497 1.800 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)cc1 1453773249 ODHPFZRMDNWOQI-UHFFFAOYSA-N 425.507 1.174 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H]2CCN(O)C2=O)cc1 1468376461 WUQISKGAYSCIIF-RTBURBONSA-N 429.498 1.217 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cn3c(SC(F)F)nc4ccccc43)C2)c(=O)nc1O 1472370972 NLEOBYUZUHOVMN-UHFFFAOYSA-N 432.412 1.568 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507564791 WSYVSVDVOFLOSS-OTWHNJEPSA-N 437.610 1.529 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507621596 UNGVLTTVHXPMJF-GOSISDBHSA-N 429.594 1.646 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507632294 YMKPHWOAUPBFOV-WDSOQIARSA-N 429.546 1.639 30 10 IDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507962423 RWHFUTCMTCBJAJ-UHFFFAOYSA-N 427.553 1.451 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C(=O)OC)C1 1508142880 BSXVYTLCOLSVFU-CQSZACIVSA-N 439.563 1.234 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2C)n1CCN1CCCS1(=O)=O 1519166335 GQZVWDKKTNLDKR-UHFFFAOYSA-N 432.550 1.656 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](CS(N)(=O)=O)C2)nnc1-c1ccco1 1538761015 NPQGABNYEIGLIT-ZDUSSCGKSA-N 425.536 1.343 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1539463119 UDSDCAQUXNMMFC-SFHVURJKSA-N 439.568 1.071 30 10 IDEE C[C@H](CC#N)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1540239750 MHJHCQUFBRIFSG-SNVBAGLBSA-N 435.287 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540869869 ZGXYEARVQGMWLQ-HNNXBMFYSA-N 435.488 1.569 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1541569047 GMJMXBWHYBESSB-RBUKOAKNSA-N 429.569 1.716 30 10 IDEE CC(C)N(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1541606111 DLLSNWFFKKFZSF-QFIPXVFZSA-N 438.511 1.974 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CCC(F)(F)F)n1CCN/C(O)=C1\N=CC=CC1=O 1541641739 HTLMPEDUNZPHIN-FYWRMAATSA-N 443.430 1.331 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1548266303 YZOXVPYVENJVDQ-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)cc1 1557602296 UPAXMUPYYMQEHN-UHFFFAOYSA-N 433.530 1.727 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](c4nccc(C(F)(F)F)n4)C3)CC2)o1 1560186134 JLPWMNCCVUYIOJ-CQSZACIVSA-N 449.437 1.802 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 1568100118 KVPQRIGUMQLZJY-LJQANCHMSA-N 440.521 1.893 30 10 IDEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1-c1ccccc1Br 1585298041 ZZHLXXQCOZEMLB-FBMGVBCBSA-N 445.277 1.594 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1586444440 ZHJBEYPIVIJIRY-IRXDYDNUSA-N 442.582 1.990 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1587621562 XDORQJGSSFWTBR-MRXNPFEDSA-N 427.553 1.490 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1588040559 OKKLKTAVDYELCY-BEFAXECRSA-N 436.559 1.341 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1588045396 KAFKYDNQCPSCKL-BTYIYWSLSA-N 445.520 1.189 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1 1588074825 SRMJMRFELZXBQG-UHFFFAOYSA-N 427.530 1.082 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C(C)C)N1CCOCC1 1588149197 JABVMZVSJQVKSC-QFIPXVFZSA-N 445.571 1.946 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)CCC(C)C)CC1 1588884659 IWESOUCYYTUJNW-HSZRJFAPSA-N 446.596 1.569 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CCN1CCOC(C)(C)C1 1595562274 SENDBQNRNWKNAD-UHFFFAOYSA-N 427.553 1.113 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595577182 KWNOUVWEKWFLGF-IAGOWNOFSA-N 427.461 1.582 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCn3nc(C)nc3C2)cc1 1595608118 PILMESFSWXEQFI-UHFFFAOYSA-N 436.520 1.950 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C(C)C 1595759099 DBCDNFMBNQEFSA-CABCVRRESA-N 433.600 1.114 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCn2ccnc2C1 1611673687 ONXJHZCVUMAPJZ-WBVHZDCISA-N 446.581 1.477 30 10 IDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 1615703455 AJPNVURAEXJQLS-GOSISDBHSA-N 425.518 1.705 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1616564625 DUARTSHXZDUNFM-NVAPOSRTSA-N 439.491 1.820 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1cc[nH]n1 1618336261 OKFSWNDCLNCFEH-VQIMIIECSA-N 443.504 1.099 30 10 IDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1619833895 ZDXMTDXNNPHXPV-UHFFFAOYSA-N 428.493 1.060 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1620459475 RICCMYPOXVTDTC-UHFFFAOYSA-N 441.557 1.838 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n(-c2ccc(F)cc2)c1C 1620626390 QAWRWWZUJMZJEW-CJNGLKHVSA-N 447.536 1.900 30 10 IDEE N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)s1 1626823113 RUCNXQSTBVYMMQ-WBMJQRKESA-N 425.919 1.713 30 10 IDEE C#C[C@H](CO)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1628628565 POWCOVTWGLMPOC-QGZVFWFLSA-N 448.491 1.798 30 10 IDEE C#CCN1CCC(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1629778620 BPMNTJIAMIOLHF-UHFFFAOYSA-N 447.580 1.149 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)s1 1634327171 FSXCOXIOYADBDS-LSDHHAIUSA-N 434.605 1.569 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)CS(C)(=O)=O 1637710823 GTBLPMOCGAIONP-HNNXBMFYSA-N 443.591 1.471 30 10 IDEE C#CCN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331569 ZGDMEEDQWRHXAT-GOSISDBHSA-N 448.545 1.578 30 10 IDEE Cc1c(C#N)c(=O)n(C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c(=O)n1C1CC1 1641346905 DWGSXZYTGSXVPV-OPAMFIHVSA-N 430.505 1.941 30 10 IDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC(O)(C(N)=O)C2)c1 1648188643 IVAOKKDFYOKGMR-UHFFFAOYSA-N 449.916 1.394 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cc(Br)cc1F 1660902957 YJRMNJQGFSIIAP-SNVBAGLBSA-N 428.276 1.538 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(C#N)cn1CC 1672913216 BNACVNPQBTYTQW-IUODEOHRSA-N 427.465 1.605 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689949999 YWLUXLWXTPRRPV-HNNXBMFYSA-N 433.534 1.313 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690061079 QRNCHEBAWHVURS-PXNSSMCTSA-N 439.582 1.060 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690673740 CEPBSEVBWJDKHS-QGZVFWFLSA-N 443.596 1.102 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1690727277 ZBOQERXSGXXNMD-INIZCTEOSA-N 427.534 1.713 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(CS(C)(=O)=O)CC1 1692162922 QKQWSMWFLOVUGG-UHFFFAOYSA-N 444.561 1.836 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1693950108 DLCIKYKNUHJNRM-HMDXBLRFSA-N 446.596 1.976 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1696499200 DXJQWQJMHAKPCX-SFHVURJKSA-N 448.549 1.224 30 10 IDEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1696816952 XCXZHHLZVKIFHN-FUHWJXTLSA-N 436.582 1.173 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC=CO2)c1 1698293501 GANUOGIEGWNELB-DLBZAZTESA-N 429.502 1.770 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1705476489 AVTGLQUNGXRFLW-HZPDHXFCSA-N 446.577 1.291 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705530842 WRZDZYHPNOYHKX-QGZVFWFLSA-N 429.525 1.822 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1705538443 OXNNANQVPKGKHS-LJQANCHMSA-N 449.563 1.951 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1705559701 AUFMUSDERRGBRX-LAUBAEHRSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705563615 AXLULNIULQPVOA-IBGZPJMESA-N 438.557 1.970 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705735616 BNZOEKFBDAIULP-KRWDZBQOSA-N 447.565 1.332 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N2CCOCC2)CCSC1 1705843736 MOKGBHKLIBUESX-QFBILLFUSA-N 441.623 1.010 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705905501 XNIGSCDEVJFIMB-QGZVFWFLSA-N 426.496 1.511 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1706747979 FEIJWANCUJOPPS-HNNXBMFYSA-N 448.531 1.976 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1708738814 HYKFBYUYUWMDAN-LJQANCHMSA-N 439.586 1.266 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)C1 1710346891 NDRRGZUXYXSCFL-RBUKOAKNSA-N 442.545 1.680 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CC1 1710989192 BELQRIUDOYRPAB-UHFFFAOYSA-N 439.564 1.580 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1=O 1712468773 HYUJDYJLIWUDOL-KPFFTGBYSA-N 438.532 1.519 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1712585693 KGFMJRGJVQJQFS-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1F 1712648642 YYUVPUURCPTXTM-UXLLHSPISA-N 432.456 1.344 30 10 IDEE CSC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1712718036 GBWXUGQAULEPRA-MRXNPFEDSA-N 439.545 1.105 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1722330840 YCIVAOMZCYNNGF-OAHLLOKOSA-N 431.566 1.470 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1722369369 YHJLQXRLUIEQPE-SFHVURJKSA-N 439.545 1.480 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1722442322 VFSJWJKAJZRCSO-VAMGGRTRSA-N 430.597 1.773 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@H](C)C2)CC1 1722449637 NFGFGTJVGNDVPR-MSOLQXFVSA-N 442.564 1.181 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C)nc2)CC1 1722449772 ZCOKJFRJWNCNRI-UHFFFAOYSA-N 429.528 1.981 30 10 IDEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722619002 QPRVEIODNCKHOI-UHFFFAOYSA-N 436.560 1.957 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722857109 IESNHTFXHJEANU-NRFANRHFSA-N 442.545 1.358 30 10 IDEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730928477 FBNNJCYPZFBWRT-GOSISDBHSA-N 427.509 1.386 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC(F)F)CCN1C1CC1 1731186045 KNGDDWAXKWPJMB-OAHLLOKOSA-N 446.462 1.384 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740594443 MQJSBKRYSTXGCT-UHFFFAOYSA-N 433.516 1.900 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1740616878 IIANAVJOLOECJR-HNNXBMFYSA-N 438.937 1.932 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1740622247 BEUMTJQUMRGRNX-OAHLLOKOSA-N 443.558 1.429 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@H]2C)CC1 1740697449 FAFDLHXUFQPSDH-GOSISDBHSA-N 439.520 1.329 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1740739290 QTMGRDYEVKFNFU-NEPJUHHUSA-N 436.376 1.658 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O 1740968956 IBISIGABAKLXGS-NVXWUHKLSA-N 447.561 1.493 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCS(C)(=O)=O 1743676924 GOTJVJVSIYMZNW-CQSZACIVSA-N 448.549 1.388 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1748812156 RAYYDHFGGPRUTF-INIZCTEOSA-N 428.543 1.666 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748814817 JOIQLXQAGSCIHU-IBGZPJMESA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)C(C)(C)C 1748831631 RTFWVKZWEWFVQN-LJAQVGFWSA-N 446.598 1.969 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)no1 1748961280 ZWLCCOCZWDVUEU-UHFFFAOYSA-N 433.472 1.623 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1749119871 XTSUBUABSDOWDK-KURKYZTESA-N 440.614 1.400 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1749669466 HZGVPVZGEOSNAP-MRXNPFEDSA-N 427.505 1.919 30 10 IDEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 1749685243 BUYIWUNZPMFTSX-SFHVURJKSA-N 438.532 1.237 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)C1 1749698327 TXAONFTZPADSNC-QWHCGFSZSA-N 441.583 1.132 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)C1 1749719464 WAKPDOXTSAPNKV-UGKGYDQZSA-N 430.505 1.798 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1749751934 FRJUEWCUENUXSV-AWEZNQCLSA-N 439.545 1.423 30 10 IDEE CC(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1751053542 CQRHEGWLIQGEGE-CVEARBPZSA-N 439.524 1.031 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760161660 MRMMWULWNWSZOM-QGZVFWFLSA-N 434.522 1.183 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760174230 JVUDVCRSGCCGCV-UHFFFAOYSA-N 425.514 1.816 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1CC1CN(C(=O)OC(C)(C)C)C1 1760194862 RXFKCBSOQVIFJN-KRWDZBQOSA-N 431.537 1.942 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2CC3(CCOCC3)C2)CC1 1760273137 JLMJDXKJZHPQMY-UHFFFAOYSA-N 429.565 1.987 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760279915 BIQSHIFQGOYBKI-YESZJQIVSA-N 425.624 1.466 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760348569 CPJNMTXGGUDSAW-PMACEKPBSA-N 446.596 1.654 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@]1(O)CCS(=O)(=O)C1 1760488098 LWXHIOWIGLLSMQ-GOSISDBHSA-N 426.564 1.618 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1760495433 NWRCKRQNUKGDPA-GOSISDBHSA-N 435.525 1.977 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C)=C(Br)C1 1760527030 LQOMCTWLZMMZHM-UHFFFAOYSA-N 437.342 1.582 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1765103668 TWDPRVYOMDTLNQ-ZCXUNETKSA-N 426.525 1.862 30 10 IDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1766335960 HMSCCXKDAJSTJA-UHFFFAOYSA-N 446.577 1.886 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1766610887 QZOLDHHIZCTBPU-JPYJTQIMSA-N 440.548 1.515 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1767689840 BYVXLLNPKRUVHR-SFHVURJKSA-N 435.532 1.694 30 10 IDEE CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1768247701 IBOWCFCUUMJNQR-AWEZNQCLSA-N 443.533 1.365 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC2(O)CCOCC2)CCO1 1770747836 KLDCTBLJXIDLEQ-CQSZACIVSA-N 448.321 1.978 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1771079802 ALXLYRDGDMSORS-UHFFFAOYSA-N 439.520 1.474 30 10 IDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)c2ccccc2)CC1 1771535891 CANVFDPRTSHANR-UHFFFAOYSA-N 442.545 1.614 30 10 IDEE C[C@@H]1CC(=NC(=O)[C@H](Cc2ccccc2)NS(C)(=O)=O)NN1c1ccc(Cl)cn1 1851177397 MVGCFCDGWPIGEV-CJNGLKHVSA-N 435.937 1.924 30 10 IDEE N#CCCn1nc2c(c1NC(=O)c1ccc(CN3CCS(=O)(=O)CC3)cc1)CCC2 1851669211 XLOFNQDGDNOUAQ-UHFFFAOYSA-N 427.530 1.768 30 10 IDEE C[C@H]1C(=O)N(C(=O)CN2CCC(F)(F)CC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854637941 CBOOZILASYCCKV-AWEZNQCLSA-N 440.472 1.037 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3ccccc3Cl)C2)CC1=O 1856787971 VOAQUEKWFBIMRQ-LSDHHAIUSA-N 428.894 1.363 30 10 IDEE CCCn1cccc(C(=O)N=c2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)[nH]2)c1=O 1860862055 TWVNWJZOPHWXRM-UHFFFAOYSA-N 447.455 1.266 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c(Cl)c1 1865722482 SKBSUDYGVPLQBF-GFCCVEGCSA-N 437.283 1.388 30 10 IDEE CN(CC#CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)Cc1ccccc1 1890177723 CRGJTHQPXTYFLN-UHFFFAOYSA-N 425.510 1.754 30 10 IDEE C=CC1(NC(=O)c2cnn(C)c2I)CN(C(=O)OC(C)(C)C)C1 1990932055 ZXRJZNXGRMMAMT-UHFFFAOYSA-N 432.262 1.930 30 10 IDEE CC#CC[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 2009908565 AIJOWIUSELSWPP-IRXDYDNUSA-N 432.473 1.996 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124523798 KRANDGFQQHCQJE-INIZCTEOSA-N 447.341 1.371 30 10 IDEE C[C@H]1COC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N1C(=O)OC(C)(C)C 2124540006 BPYTXRSUOWBRCO-DZGCQCFKSA-N 448.329 1.739 30 10 IDEE CN(CCN(C)C1COC1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2173112219 BLJCRXSKHKDYJB-UHFFFAOYSA-N 426.164 1.910 30 10 IDEE C=C(CS(=O)(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2243416120 HHEQRAIUGGJCIU-ZIAGYGMSSA-N 428.360 1.959 30 10 IDEE CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243677850 ARMWLOFYCFGIDH-LLVKDONJSA-N 426.348 1.891 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255603074 AMRCDTNGBMYICS-HXUWFJFHSA-N 436.318 1.123 30 10 IDEE Cn1nc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255622722 DJJBDRUYLYZRLG-CQSZACIVSA-N 434.346 1.849 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255656359 ZPETWXORAHEDPC-UKRRQHHQSA-N 434.346 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2255817685 ZSVUSAQUYNRNFX-OKILXGFUSA-N 434.346 1.752 30 10 IDEE CCc1nn(C)c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255820830 BJMUIIBWMOUSOU-UHFFFAOYSA-N 434.346 1.631 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2267089785 ADMSPIHVDXUPEG-UHFFFAOYSA-N 439.369 1.257 30 10 IDEE CCC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267112305 DTKDVXOUNAULKK-UHFFFAOYSA-N 449.361 1.680 30 10 IDEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2267133985 JQLTZMFSHRUBRG-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1(CNC(=O)OC(C)(C)C)CCC1 2267271470 RYHNWTLGYPAAKQ-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE C[C@@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267478044 SNPQDBPRMQINKF-IUODEOHRSA-N 441.259 1.910 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)n1 2267549062 JTWSTCUEUDZPGK-SFHVURJKSA-N 439.369 1.756 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267568282 HTQHQMXKEGZCDL-JOCHJYFZSA-N 449.357 1.806 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2312856047 KOAOWJZUEMWUBB-GVRJEKJASA-N 440.346 1.316 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2332884539 MSXCKVGTVIWOKR-MGPQQGTHSA-N 426.267 1.600 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2341156161 FDDVYFJKRYOPEE-MELADBBJSA-N 447.345 1.242 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@H]1c1ccc(O)cc1 72472504 DZIMLKHDAFQETO-YJBOKZPZSA-N 445.435 1.844 30 10 IDEE COc1ccc(-n2ncc(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)c2C(F)(F)F)nn1 111223967 HCHWYQBCLXODJQ-AWEZNQCLSA-N 437.426 1.996 30 10 IDEE CC(C)N1C(=O)C[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409515333 TTYVFFPWXIFDAO-QANKJYHBSA-N 444.916 1.588 30 10 IDEE C[C@H](C(=O)N[C@@H](Cc1cccc(F)c1)CN1C(=O)c2ccccc2C1=O)n1cnc(C#N)n1 409639200 QKJRLHPOCVCWQM-PBHICJAKSA-N 446.442 1.874 30 10 IDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 431247634 OKSQTCKNQWRVDL-ZYFHCTRVSA-N 440.500 1.948 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 438424558 UXBQKBLZXVLZAH-UHFFFAOYSA-N 439.497 1.981 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCCC(=O)Nc1ccccc1C#N 439937092 XMFKVDVHPQTIMH-YKCBXCCJSA-N 427.457 1.619 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C[C@@H]1CCCO1 447266968 MTYIXJVWGCAUQN-AWEZNQCLSA-N 443.475 1.967 30 10 IDEE COCC[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 464569675 NRUYNIPUVPCAKB-KNPKQFPZSA-N 433.508 1.901 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469996548 OMSPKOQCWLFIEX-CYBMUJFWSA-N 443.331 1.917 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 476226005 OSSLCTVTUISHKG-OAQYLSRUSA-N 448.527 1.718 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)cc1 479620319 QYBHELZWFRRHOO-UHFFFAOYSA-N 431.540 1.988 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 484515066 NNMHSRNDSBIPLS-CYBMUJFWSA-N 435.428 1.849 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CC(N3CCCCC3)C2)cc1 485007766 UBQGGFFHSLAANN-UHFFFAOYSA-N 434.562 1.565 30 10 IDEE Cc1cc(F)ccc1CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 488036907 CCJSKTZLNZWIIR-UHFFFAOYSA-N 444.532 1.971 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C#N 489097464 DXYINUMECOYVNU-HUUCEWRRSA-N 428.514 1.990 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 489786607 BWCOBCLHLWTQKF-UHFFFAOYSA-N 434.544 1.942 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)c1 491602442 UNFTVOLHXPIKAG-ZDUSSCGKSA-N 433.490 1.273 30 10 IDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508846972 SMFGFXAJVZRISH-OAQYLSRUSA-N 425.581 1.681 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 509001506 WTJVJFJHFDOHJH-HXUWFJFHSA-N 438.532 1.263 30 10 IDEE CCn1cc(C#N)c(=O)n(CCCOc2cccc(I)c2)c1=O 513326089 XYSBHURZXXABBQ-UHFFFAOYSA-N 425.226 1.975 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N=c4cc[nH]cc4)cc3)CC2)n1 545490720 NUBAISUSORTYLZ-UHFFFAOYSA-N 448.508 1.533 30 10 IDEE CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 557787569 JZNWYKQAOCXUCA-UHFFFAOYSA-N 449.558 1.152 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)c1cccc(Br)c1C#N 566905959 HHWDWDLBKBOBRV-OAHLLOKOSA-N 443.367 1.542 30 10 IDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2c(C)n(C)c3ccccc23)c1C#N 572905535 VCGFFFJBRGCGPQ-UHFFFAOYSA-N 428.518 1.961 30 10 IDEE CCN(CCOC)c1cccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 577877570 HSSLVRDXWXBKEJ-UHFFFAOYSA-N 443.573 1.932 30 10 IDEE Cn1c(CCC(=O)NC2(C#N)CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 585705246 GQCJVGRRSMVZRM-UHFFFAOYSA-N 445.545 1.479 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC(OCCCO)CC2)CC1 610682816 AUIYEJWZSQEMBH-UHFFFAOYSA-N 443.504 1.318 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1)[C@H]1CCS(=O)(=O)C1 729331402 MXSLEPPWCZKPMA-AEFFLSMTSA-N 438.571 1.512 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2cccc3ccccc23)CC1)[C@H]1CCS(=O)(=O)C1 731213654 LCIFMMYQMBCQNE-QFIPXVFZSA-N 439.581 1.606 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 731345451 VVKLDJUNAKDKOW-UHFFFAOYSA-N 431.558 1.899 30 10 IDEE COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)cn1 732707386 ZUQKORUFCAVPRT-LJQANCHMSA-N 448.483 1.480 30 10 IDEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742408610 MALIHTGFROYXBJ-MRXNPFEDSA-N 428.514 1.630 30 10 IDEE COc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1C#N 747411518 UOJLVIXMBKLLGC-UHFFFAOYSA-N 432.502 1.179 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC 751022048 ZKZHIFSKNMYOSZ-GFCCVEGCSA-N 439.433 1.303 30 10 IDEE COC[C@H](ONC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757479365 KTZAKIDFAUFZPA-FQEVSTJZSA-N 438.436 1.676 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C1CC1 763796148 JENXTWWESIQMAR-UHFFFAOYSA-N 427.320 1.708 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCOC1CN(C(=O)OC(C)(C)C)C1 766987050 PPLNCKIPOMVWCD-UHFFFAOYSA-N 439.490 1.398 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)cc(Br)c2)c1=O 772313016 ZLOCYNLYQLKOQQ-UHFFFAOYSA-N 444.354 1.642 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 780123747 QZZUWPAFSOQUNE-FSPWUOQZSA-N 426.429 1.423 30 10 IDEE N#CC1(NC(=O)COC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CCCCC1 780254088 FVQXCZVTXKDKNC-JOCHJYFZSA-N 429.473 1.958 30 10 IDEE C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 790708684 JZPRZRWIMZUUBF-QZTJIDSGSA-N 443.573 1.587 30 10 IDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cn1 793468956 PKPTVFJPOIRYGT-QGZVFWFLSA-N 445.504 1.581 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)=NO1 799002671 WCJNLCFHWSRJGA-IRXDYDNUSA-N 441.488 1.445 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCc2cccnc2OC)C1=O 809944512 YBIVWSGDNRGTMN-UFGLDMCJSA-N 427.530 1.707 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCO2)c1 812253037 KFWWKOXJTSMCQT-RBUKOAKNSA-N 425.489 1.601 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccccc1 1141817660 ANGKRHOFEPOPOR-CDHQVMDDSA-N 441.509 1.640 30 10 IDEE COC(=O)CN(CC#N)C(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1 1147600605 AGNKPXAIJQNOIY-UHFFFAOYSA-N 441.440 1.860 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CNC(CO)(CO)C(F)(F)F)CCCC2 1196285922 WFKPCAAZUJMPCL-ZDUSSCGKSA-N 444.454 1.231 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1197084410 UUHJHXBFMKUYEV-IRXDYDNUSA-N 435.546 1.867 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCNC(=O)OC(C)(C)C 1286277062 AOGGRNBZGKRIPJ-HUUCEWRRSA-N 442.586 1.651 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(=O)N2CCOCC2)c1 1286312181 UVNXZBCLBXZQBG-UHFFFAOYSA-N 438.532 1.392 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(F)c2)CC1 1286490930 XRMDTJSZVZMWRG-IBGZPJMESA-N 438.507 1.577 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286534815 DHVYJCRAVDXDNT-BFHYXJOUSA-N 428.331 1.626 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1286554088 WULUJSUYNLNVJC-RTBURBONSA-N 444.561 1.783 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(C)(=O)=O)CC1 1286654772 JYUTUNNFEPXREQ-UHFFFAOYSA-N 438.575 1.796 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1286710550 ZUZHTJHPJUFGPT-OAHLLOKOSA-N 437.504 1.854 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286788943 KPJHSQCQPCDRHU-UHFFFAOYSA-N 449.552 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1286818941 UMAYZUPZPGPCSK-DLBZAZTESA-N 434.566 1.976 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1286940499 FDAIWCKTESNHMO-ROUUACIJSA-N 446.458 1.582 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3C[C@H](C)N(C)C)CC2)c1C#N 1290576270 CFOXZAGGHPRRTN-KRWDZBQOSA-N 448.579 1.454 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nnc(O)n3C2)c1 1291721396 KHKIQUCKSGZIPB-OWBBVQPASA-N 446.533 1.778 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2ccnc2C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300484225 PESATASUNPHHRQ-GOSISDBHSA-N 442.520 1.895 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCCn1cnnn1 1300513663 YODJEIXWVKQNNU-UHFFFAOYSA-N 425.294 1.857 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1300538835 VNRDPDGJWDQXFC-HSZRJFAPSA-N 432.572 1.673 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2([S@](C)=O)CC2)CC1 1300726468 MGWFGCRXCOKKAJ-HKBQPEDESA-N 440.573 1.141 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301515794 ZGQDPEQJWKDZEN-QFIPXVFZSA-N 426.521 1.430 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301586876 KAFITLRWACOCIC-HKUYNNGSSA-N 430.578 1.538 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1301617867 KLGYGXOBWZDQLN-CQSZACIVSA-N 434.591 1.891 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1301809085 KIBBPSKRLBUBRW-CVEARBPZSA-N 425.555 1.362 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1302164979 DGFNGEMOKFBISD-HXOBKFHXSA-N 441.532 1.988 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1303005141 YARVPIWPDCGHEI-KBPBESRZSA-N 437.426 1.952 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCn2ccnc21 1303848471 ILBXQSGUAPYKKP-RZQQEMMASA-N 446.581 1.792 30 10 IDEE Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1304359270 WNYAFMFSLWJYSQ-INIZCTEOSA-N 440.454 1.931 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1309017678 AKRBRYCQGVMRIB-UHFFFAOYSA-N 447.538 1.355 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)c2ccccc21 1314897827 BTKTWWWEOIXFBK-OAHLLOKOSA-N 443.533 1.105 30 10 IDEE C#CCN(C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@H]1CCS(=O)(=O)C1 1337180437 HSXDIFIMLLWYDG-HNNXBMFYSA-N 445.497 1.559 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1358934202 TVBKRKCRDZVCKF-HXUWFJFHSA-N 447.586 1.698 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358962650 UGHHEVAVMFZBSC-JTDSTZFVSA-N 440.591 1.014 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccc(N2CCOCC2)n1 1358980108 JKWWLKKBMMGCFY-UHFFFAOYSA-N 427.512 1.617 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1358981418 IYNWNQHVIYQHSW-KRWDZBQOSA-N 428.537 1.729 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC[C@H](C)C2)CC1 1359030838 HRSOAAPVUWALBP-XUZZJYLKSA-N 444.624 1.806 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCO[C@H]1CCOC1 1359063672 APEGJEITRWOTPG-TXPKVOOTSA-N 425.555 1.076 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)C1 1359295354 YTQVCZIDEYWBPA-UHFFFAOYSA-N 433.310 1.254 30 10 IDEE Cc1noc(C[C@@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1456493716 KSMAXXCKEZFEAK-HNNXBMFYSA-N 431.518 1.678 30 10 IDEE Cn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)cn1 1463509655 GFSPDTGIXJDMJT-OWJWWREXSA-N 443.348 1.549 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)CC1 1464851653 ZORBGISVGIPZST-PWIZWCRZSA-N 430.346 1.619 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)s1 1466191402 BZXDFUHHKBQGCD-UHFFFAOYSA-N 442.584 1.981 30 10 IDEE N#Cc1nc(NC(=O)c2c[nH]c3ccc(I)cc3c2=O)[nH]c1C#N 1469561753 XGIIZWMTRPTLIN-UHFFFAOYSA-N 430.165 1.851 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1470268498 ZGCANKZUDHXMJA-YWZLYKJASA-N 445.944 1.499 30 10 IDEE COCCCS(=O)(=O)N1CCN(C(=O)NCc2ccc(SC)c(C#N)c2)CC1 1471335656 GEUQQPAHZLSAOH-UHFFFAOYSA-N 426.564 1.474 30 10 IDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NCCCN2CCCCCC2=O)C1=O 1472908343 XLUWQFMQGGDELT-JOCHJYFZSA-N 425.489 1.234 30 10 IDEE Cc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1492911548 KGAMNZQVEUEMGZ-FMQUCBEESA-N 427.509 1.094 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@@H]1C 1503890536 FURPMNCDDQHNMI-LPHOPBHVSA-N 440.504 1.899 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1504605623 QDWVEUXTWGEIHK-SQNIBIBYSA-N 428.468 1.663 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1505135457 UOCWBIYPESEKNB-GOSISDBHSA-N 425.461 1.587 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1507755627 PMZDTLTYJWKGEC-UHFFFAOYSA-N 434.591 1.295 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1507772095 GFPMLHCDGXPYQQ-GHTZIAJQSA-N 444.561 1.241 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1507784298 HXMMKKZIGMDUNU-LBPRGKRZSA-N 434.360 1.050 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1507820573 HPIIRRNZNBOSKE-GOSISDBHSA-N 435.550 1.767 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1507852725 CSVYKFGWCCDGIG-ZFWWWQNUSA-N 443.961 1.435 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1508405245 DLHJAOUVOQGFNH-HNNXBMFYSA-N 434.508 1.887 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)CCOC1 1509805816 NASCDTBYVVJGFX-JRGCBEDISA-N 436.532 1.481 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CN(CC(C)C)CCO1 1539002670 GOZJNNCURIZDNH-SJORKVTESA-N 428.537 1.821 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539076365 RIDXQYCCZYKYGA-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539218615 BNBGTVUARZNPGH-GOSISDBHSA-N 435.594 1.552 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1539315635 QCPLYBZQNYTZBW-XMMPIXPASA-N 448.527 1.442 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ncnn1-c1ccccc1 1539330916 DHEPRIDHPKJIHW-UHFFFAOYSA-N 428.500 1.492 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCC(=O)NC2CC2)CC1 1539453759 DJAMLLCXNIQFOJ-UHFFFAOYSA-N 427.578 1.448 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1540020932 XQJVGMWPUQOYAP-UHFFFAOYSA-N 442.524 1.370 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1540201409 SPQLLEVWGFRKKC-SJORKVTESA-N 448.545 1.659 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1)C(=O)OC(C)(C)C 1540534446 ZEBNYSBMRSLPPF-KDURUIRLSA-N 434.581 1.505 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1540909681 NCELXNCUAWVTBP-YCPHGPKFSA-N 429.612 1.811 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1540910136 YTQHPWOYSDFHIO-MRXNPFEDSA-N 430.644 1.728 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1541111250 HTRXWICTIXWHMZ-OYHNWAKOSA-N 437.504 1.593 30 10 IDEE CC(C)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541354702 GWYKCLIBKCVAMX-XOMICKMZSA-N 441.536 1.519 30 10 IDEE CC(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1541689498 YZDVYOMXFUUNEO-SFHVURJKSA-N 438.536 1.290 30 10 IDEE CC(C)OCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541763515 COFNSSGISMJFQE-UHFFFAOYSA-N 425.493 1.360 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCSC2)C1 1541987727 DOQBWNJGOXAOGC-VQTJNVASSA-N 427.534 1.923 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2CCc3sccc3C2)s1 1542313589 GKEBVMXRPYGMNP-UHFFFAOYSA-N 425.601 1.991 30 10 IDEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1544249245 DEBZQVZICZJXTR-HXOBKFHXSA-N 437.548 1.915 30 10 IDEE COc1ccc(COCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1554953572 RPPJZPAGRYIMGL-MSOLQXFVSA-N 426.477 1.183 30 10 IDEE COC(=O)CC[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OC 1556482662 NDJQMBFJPBRDMH-CQSZACIVSA-N 438.278 1.368 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)C1 1556619790 UFYMBVZFSMJCBY-IRXDYDNUSA-N 438.347 1.935 30 10 IDEE O=C1CC[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC[C@H]2N1 1557401611 LDSLBTIZOOVXFM-NVXWUHKLSA-N 432.546 1.413 30 10 IDEE COC[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@H]1CCCOC1 1565361473 SSPJKLWGLCZMRT-OXJNMPFZSA-N 426.521 2.000 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1568076181 GAORMVWDQBECOD-UHFFFAOYSA-N 444.536 1.452 30 10 IDEE C#CC[C@@H](NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OC 1570218243 BCXJVFNGXZBRCZ-LLVKDONJSA-N 426.800 1.318 30 10 IDEE C#CC1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 1570659269 GSQBJYCAXRCKEM-UHFFFAOYSA-N 447.557 1.180 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 1584505807 ZUDQUELBRRDJMW-HXJYWVFZSA-N 448.545 1.741 30 10 IDEE CNC(=O)NC[C@@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCO1 1584822386 DCRGRMCFIQLWGT-QGZVFWFLSA-N 433.940 1.975 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(-c2ccccc2)no1 1587909307 IMXZQIKJBGNXMH-GJZGRUSLSA-N 443.533 1.811 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588003344 WBFLKASOZZEGAZ-FUHWJXTLSA-N 448.618 1.907 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1588059269 LAPFEUBYBJJTFP-ZWKOTPCHSA-N 444.605 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1588159344 TYMLHFMTBSXEMC-LJQANCHMSA-N 441.557 1.396 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1588229098 RBDVORKZDBTZQA-GOSISDBHSA-N 431.562 1.046 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2nc(C)cc2C)CC1 1588733092 MVNFQIFRSPEHGN-UHFFFAOYSA-N 447.547 1.584 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ncccc2Cl)CC1 1588864370 DDSYJRFTTODPEU-UHFFFAOYSA-N 443.939 1.283 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@H]2OC)CC1 1588962310 ZBNMPUSXVMEHCY-RTBURBONSA-N 442.564 1.181 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589059638 HFZGDKYATDOTEA-IIBYNOLFSA-N 446.577 1.701 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1595561753 AROKFHUGPFPIRH-UHFFFAOYSA-N 441.536 1.623 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)cc1 1595613544 GFZBTXFUOBPISB-KRWDZBQOSA-N 445.545 1.120 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1596551032 VGGNCXKBOMDENO-ZJYNUGOYSA-N 427.509 1.034 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C)CCOCC1 1608452947 CNOVWXJEKJDFBL-UHFFFAOYSA-N 439.520 1.768 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1612748487 CSJJUXBRAMEPCV-IERDGZPVSA-N 444.561 1.449 30 10 IDEE C=CCOC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)OC 1617951047 ROUYNZIXIUDJQN-HXUWFJFHSA-N 436.464 1.999 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1619878109 APCDNPHWLZKNNL-RTWAWAEBSA-N 440.548 1.779 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)C2)C1 1624841379 SQMHATOJHORHIC-GFHJCZRUSA-N 437.537 1.982 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C)C1 1631772542 MIOWPAHBVKHUAC-CQSZACIVSA-N 449.349 1.853 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(S(C)(=O)=O)CCCCC1 1640590590 IFPZJHJJFJIJMA-CQSZACIVSA-N 427.548 1.089 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1F 1645581049 IWEOXZAZDZTCGB-LBPRGKRZSA-N 435.433 1.555 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(CC)cc3)c3c2CCC3)CC1 1650845968 CPHDRGWMAJGLIV-UHFFFAOYSA-N 441.557 1.149 30 10 IDEE C=CC[C@H](C(=O)OC)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1657351863 JHWXXZIDLGHORJ-QGZVFWFLSA-N 445.379 1.958 30 10 IDEE C#CCN(C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCN(C)CC1 1669347859 YECDYGIGLNOSCG-UHFFFAOYSA-N 432.590 1.720 30 10 IDEE C#CCN1CCC(NC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CC1 1682695994 REXPNDCZVMXIFF-UHFFFAOYSA-N 427.549 1.244 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689855582 YKIJVTIXGPYXAO-GJZGRUSLSA-N 437.516 1.887 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(O)c2)CC1 1690154152 JHBWALMPYRAAMT-HXUWFJFHSA-N 439.516 1.858 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1690175368 VMNZCKXIISCAOX-DLBZAZTESA-N 441.623 1.604 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)CC1 1690396620 HUWNUTKYYGSZQX-AWEZNQCLSA-N 432.550 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCCCC2)C1 1690727158 VTVJLPXQSDAADE-FQEVSTJZSA-N 444.605 1.929 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690742652 XHANCMOSAKTXOH-GJZGRUSLSA-N 427.596 1.552 30 10 IDEE CC(=O)NCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1690984539 XJJLFDKVWNKXAW-UGKGYDQZSA-N 445.568 1.021 30 10 IDEE C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1)N(C)C 1692703181 GMDFJTPJXCTLQI-HNNXBMFYSA-N 430.582 1.928 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1692850853 BHYLSMYOUYRPGW-DNVCBOLYSA-N 434.566 1.356 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697856569 JWIJJDPFGXJMCB-HWEPQYAMSA-N 444.536 1.909 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[S@](=O)CC)c1 1705507382 ZPUVPBZVAFLJHE-AUMHUTNHSA-N 442.545 1.054 30 10 IDEE C#CCN(c1nnc(CC)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705569701 GAMIOPGSMNZLSI-OAHLLOKOSA-N 439.582 1.771 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccn2)CC1 1705664435 OZFOYDLSUICVHF-UHFFFAOYSA-N 437.577 1.623 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705838190 GKNBUCGTOFBVBC-HNNXBMFYSA-N 435.550 1.866 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC(C)(C)C1 1705902791 JRKRHMDOVDNOJQ-UHFFFAOYSA-N 440.552 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705938129 NPEFGFAJRHCUFS-QGZVFWFLSA-N 437.570 1.465 30 10 IDEE CC(C)(O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1706198286 KMMVQBZFPAPREE-IIBYNOLFSA-N 447.536 1.898 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1711085732 QRQYGPGWFJPDCI-NQIIRXRSSA-N 445.545 1.494 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1712317214 DVVQTHONISDKIF-GUYCJALGSA-N 439.314 1.552 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1712524479 DGPAKWDFWDHXRC-VGOFRKELSA-N 444.536 1.816 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)C2CC2)c1 1722310107 SOAONMKQRRXJHZ-MOPGFXCFSA-N 436.516 1.710 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1C 1722351103 GSRLGPSXHLGEAP-SFHVURJKSA-N 433.534 1.068 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1722369713 FAOAPADUZHSZIT-QZTJIDSGSA-N 449.577 1.063 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722382259 XMFNLSPENIJDMR-FCHUYYIVSA-N 446.555 1.684 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1722391793 USUBQEFNJIVXDD-XUZZJYLKSA-N 442.608 1.419 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCN(C)C1 1722420345 FXVBDBRFTGBPBX-DEOSSOPVSA-N 434.544 1.954 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCNC(=O)OC(C)(C)C)CC1 1722430966 KJMSWZJAWDDTKJ-QGZVFWFLSA-N 436.557 1.282 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)cc2OC)CC1 1722437523 NXWNGHAEZUSYMR-LJQANCHMSA-N 425.533 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2c[nH]nc2C)CC1 1722445764 BUDQRCCTEKTKJD-UHFFFAOYSA-N 435.536 1.309 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1722609067 RLZKQVIXPKLVNB-HNNXBMFYSA-N 433.582 1.878 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1722638500 CPYMLNHFGVOGPO-UHFFFAOYSA-N 437.548 1.927 30 10 IDEE C=CCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722691647 XJJABKMQTJYFNT-BBWFWOEESA-N 434.541 1.576 30 10 IDEE CC(C)(C)c1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1722912428 RTYLDOLZUNSZPA-HNENSFHCSA-N 427.553 1.634 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1729203554 FHBWVDVCSARSFC-MAUKXSAKSA-N 433.534 1.492 30 10 IDEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1729314630 GGRZIPRPNISYTM-RTBURBONSA-N 440.504 1.374 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1729339588 LSADXGSMEGBOSI-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C#N)CC1 1729738011 HFDDDBHPRQGNDS-UHFFFAOYSA-N 440.476 1.836 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1730761118 HWBVXWYUUXVCOM-GOSISDBHSA-N 446.577 1.902 30 10 IDEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)CCOCC1 1730880429 HNLHEZUKPCZXCS-UHFFFAOYSA-N 429.525 1.631 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(COC)CCOCC1 1740609612 LZIYRGZKXXUFDB-UHFFFAOYSA-N 439.564 1.965 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740623199 PURWZPPUYJKABU-MSOLQXFVSA-N 429.546 1.702 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 1740624362 IGUGMHPZGUBLMU-HNNXBMFYSA-N 443.520 1.019 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1740655629 DYECUVCDIOITFV-SFHVURJKSA-N 447.586 1.492 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740693539 CCKHYLPDFUODTN-KRWDZBQOSA-N 431.537 1.807 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)N[C@@H](C)CC)CC1 1740704619 PZUCNNYOQDPVHJ-INIZCTEOSA-N 425.537 1.544 30 10 IDEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1740715172 DZLBCAAJNHPFSN-UHFFFAOYSA-N 444.586 1.874 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740737185 CFFOGBAGXBZQSG-AWEZNQCLSA-N 437.342 1.624 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cccnn2)CC1 1740881006 UDTMLLFGRMJUFY-UHFFFAOYSA-N 440.552 1.978 30 10 IDEE Cc1c(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)cnn1C 1742062170 MYHFKSRDXVPURM-SFHVURJKSA-N 447.503 1.483 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@H]1C 1747425391 GISIMCWUFBQORG-MRXNPFEDSA-N 432.550 1.713 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748811363 FLTNOKSCNGXDDF-OAHLLOKOSA-N 430.559 1.989 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749039692 ZDTISGYUNQEZCV-LJQANCHMSA-N 429.594 1.594 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749449660 RQULULMKEFDMDU-MRXNPFEDSA-N 434.518 1.890 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749670040 NWIOVVUIBZKBGR-IAGOWNOFSA-N 426.525 1.186 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682332 RZLJTWOFUZVWRT-QFIPXVFZSA-N 449.552 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cccc(C)c1 1749734737 LTPCBOLQYOUPRK-MRXNPFEDSA-N 438.575 1.857 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1749756300 WHBSFFWAVOZHMH-HOTGVXAUSA-N 445.611 1.003 30 10 IDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751933919 HIOAPPUTTLKJOQ-QURGRASLSA-N 446.515 1.307 30 10 IDEE C#CCCCn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1760159488 IBGLOZYMMRTDKA-QGZVFWFLSA-N 429.546 1.944 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCO[C@@H](C)C1 1760172966 FFCJNTXQRXFPLK-SFHVURJKSA-N 445.589 1.919 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1760202400 CLCATGGMNWBGIE-KRWDZBQOSA-N 438.536 1.642 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCOC[C@@H]1OC 1760205636 GMTOYVQPFYPREW-RTWAWAEBSA-N 449.559 1.576 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 1760260254 YDQBLAINMJXKSM-NRFANRHFSA-N 436.560 1.530 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCS2)CC1 1760266158 RCDQQPFKYBPXCA-GCJKJVERSA-N 447.605 1.792 30 10 IDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760275248 SSHJZTJIMGFJMT-OAHLLOKOSA-N 442.545 1.903 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760357893 KIJFJYZOEITXDN-UHFFFAOYSA-N 448.593 1.717 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC)C1CC1 1760476659 BSLBMNHGBAPJHP-OAHLLOKOSA-N 433.534 1.796 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760518756 GFNQOYBILOHVKB-IYBDPMFKSA-N 448.321 1.880 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760524380 WMKWJLZTUBAOMY-KRWDZBQOSA-N 431.541 1.160 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1760525245 YVHQTFHRTMEISS-HDICACEKSA-N 444.555 1.856 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760565171 POXJWUZJPIZRRC-CVEARBPZSA-N 446.581 1.623 30 10 IDEE CC(C)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760939961 CEWWFGXGIKJSJO-XQLMRJDBSA-N 430.509 1.312 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1761041961 LJXCNXBEGDOVKS-MRXNPFEDSA-N 429.525 1.460 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC1(C)C 1761488175 ZRGSSMZQHBZXBF-IUODEOHRSA-N 445.549 1.469 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763613954 VWYOAYGQTZCSOM-ITZAQCPESA-N 429.525 1.410 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1768243183 GTNNIZPQJHYWAN-HXUWFJFHSA-N 431.518 1.247 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1769415578 PTCPJOIDPDFCKE-QGZVFWFLSA-N 434.456 1.725 30 10 IDEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1770998942 BDIRECWVGJKVRY-UHFFFAOYSA-N 445.545 1.780 30 10 IDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 1851827437 KOPQTHVIYSSMIF-UHFFFAOYSA-N 427.408 1.804 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@@H](C#N)C1 1852749107 RWJZFSWCSKFERH-HOCLYGCPSA-N 444.351 1.893 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)COc2ccc3c(c2)OCO3)cc1 1853326677 CIQHDADNRMJQLK-FQEVSTJZSA-N 440.452 1.989 30 10 IDEE CC[N+]1(C)CCC(N(CCS(=O)(=O)N(C)C)C(=O)c2ccccc2OCC#N)CC1 1853596435 BYIISAZRHYFXST-UHFFFAOYSA-N 437.586 1.551 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1853715699 CZCNXQPODNAALH-INIZCTEOSA-N 425.938 1.045 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1854588321 AIPAGNYRRFJFQR-MOPGFXCFSA-N 435.521 1.780 30 10 IDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)c4ccc(F)cc4)C3)C2=O)c1 1856462486 SIFYOKRPGOGZET-LJQANCHMSA-N 427.457 1.597 30 10 IDEE C=CCC[C@@H](C)C(=O)N1C[C@H](CN2CCC(N(C3CC3)S(C)(=O)=O)CC2)CC1=O 1857447653 UGPIKOXOZLWTSV-SJORKVTESA-N 425.595 1.852 30 10 IDEE Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)C(=O)c2cccc(C#N)c2)cc1 1858000436 OBYUZYDDSZSDIE-OALUTQOASA-N 432.523 1.578 30 10 IDEE C=CCNC(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861612098 WKVFNQPDZYJHSM-ZBFHGGJFSA-N 433.530 1.366 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864319523 WSEUAUWPFULVRV-HXUWFJFHSA-N 447.495 1.944 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCN(CC)CC3)ncnc21 1873562122 OFHNOWMRAHSCNQ-UHFFFAOYSA-N 425.537 1.097 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H](C(=O)N4CCCC4)C3)n[nH]2)c1C 1891527549 YGACGDFOXGMTLL-LJQANCHMSA-N 426.521 1.930 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCB2OC(C)(C)C(C)(C)O2)C1 1985103887 BRNSTIPJKAROJO-ZDUSSCGKSA-N 432.348 1.158 30 10 IDEE O=C(C1=CCS(=O)(=O)CC1)[C@@H](O)c1c(Br)cncc1Br 2232543808 WQGPVXOLIDRVMP-LBPRGKRZSA-N 425.098 1.954 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243373223 UXUHLBGRPPQWNH-LLVKDONJSA-N 427.332 1.058 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2247539743 SJKYIKYJFPGGHW-OJLPUSQMSA-N 437.537 1.780 30 10 IDEE Cn1nc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247912697 KXVHRFGYGJEPTR-WDEREUQCSA-N 440.737 1.768 30 10 IDEE CC1(C)OB(c2cccc(S(=O)(=O)NCCNOCc3ccccc3)c2)OC1(C)C 2247953911 XAXHWRUIHJNRGU-UHFFFAOYSA-N 432.351 1.986 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405792 WYFVKUUXCASYKO-BXUZGUMPSA-N 441.359 1.333 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255624390 XQHCLNSFGKAMDO-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255826791 DELGUUSUWMVRBI-ZDUSSCGKSA-N 436.318 1.308 30 10 IDEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2255835743 YEGZEGYGTMLCTA-ZIAGYGMSSA-N 436.314 1.597 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256063773 WNTFCKBOVFERFT-CQSZACIVSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2256627271 TZVBPSBZLAWIJJ-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n1 2267503247 ALZIYHIETFYCOY-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267504235 PMVJBDDWLYRCOI-FMKPAKJESA-N 446.357 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)n1 2267548320 FQPIZCDPQRXYOL-CYBMUJFWSA-N 449.361 1.490 30 10 IDEE CN([C@@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270528102 RZJRUGJXENLGHJ-STQMWFEESA-N 437.396 1.472 30 10 IDEE CC(C)(C)OC(=O)N(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCOC1 2272552494 JUWJFXPDALWSFG-HNNXBMFYSA-N 448.329 1.740 30 10 IDEE O=[N+]([O-])c1ccc(O)cc1C=Nc1nnc2n(N=Cc3cc(O)ccc3[N+](=O)[O-])cnn12 2297660660 MJLQYGQDBOOGTG-UHFFFAOYSA-N 437.332 1.786 30 10 IDEE O=C(NCCCNCCCNC(=O)/C(=N\O)c1ccccc1)/C(=N\O)c1ccccc1 101879217 KHQOKRKRRYMRMU-ULLHUXCLSA-N 425.489 1.346 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(O)cc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103124213 XHUSNXCKEGMKPH-VZCCSQPZSA-N 428.397 1.731 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 478847498 FWCJGVQHCIHKDB-OALUTQOASA-N 438.549 1.978 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H]2CS(N)(=O)=O)nnc1-c1ccco1 482174839 HMWUVMUPFZVANG-CYBMUJFWSA-N 425.536 1.486 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 483471096 DLLVQYGBPMPLIM-CZUORRHYSA-N 428.536 1.260 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)CC1 486916394 VYHOVTWLFRZSCC-UHFFFAOYSA-N 434.500 1.401 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1 502058913 UEWCRFOWECRKPM-UHFFFAOYSA-N 425.489 1.047 30 10 IDEE N#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C1CC1 505981586 LTYHGBDQCHGPMM-LJQANCHMSA-N 432.546 1.730 30 10 IDEE COC(=O)CCn1nc(C)c(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 506806134 PFTALIVJVSJBQS-UHFFFAOYSA-N 445.545 1.441 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 513785107 GGNMAEYCMPETLM-UHFFFAOYSA-N 433.555 1.480 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c2)CC1 515000431 PREUCTNDZLEPDE-HXUWFJFHSA-N 444.488 1.673 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccccc1 527028175 USBLOPBWEIDXEZ-IBGZPJMESA-N 431.517 1.852 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)C1=O 536908918 GIHKBQBCCOYCSP-WBVHZDCISA-N 436.871 1.707 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(Cc2ccon2)c1=O 541801165 DXWKEDLNFXXXOS-UHFFFAOYSA-N 438.465 1.891 30 10 IDEE CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542726809 DJJFALSYZLCAQM-CQSZACIVSA-N 444.513 1.191 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 549685562 OSLKIKZZKINEHU-IBGZPJMESA-N 432.569 1.467 30 10 IDEE CN(CCN(CCN1CCCCC1)C(=O)c1cc(C#N)ccn1)C(=O)c1cc(C#N)ccn1 556841964 LDDZBTJDQHHUSP-UHFFFAOYSA-N 445.527 1.920 30 10 IDEE N#CC1(NC(=O)CN2CCCC3(CCCN(CC(=O)NC4(C#N)CCC4)C3)C2)CCC1 558465469 DBQJXHQDVBFNSY-UHFFFAOYSA-N 426.565 1.289 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(c4cnccc4C#N)CC3)cn2)C[C@@H](C)O1 562348737 NGMVBWVPZPHKBM-QZTJIDSGSA-N 435.532 1.994 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COc2ccccc2)C1 579096362 LKWGWDDLMUNSBV-FUHWJXTLSA-N 435.550 1.749 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(F)cc1 603786369 LFSLEGNNYQDVHS-UHFFFAOYSA-N 441.484 1.595 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C#N)c1=O 603999886 AHIFCBUSPVTYEF-UHFFFAOYSA-N 444.516 1.807 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)C1=O 656413947 JVQXMXQWVYBBJY-WCIQWLHISA-N 436.512 1.332 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2c(C)cc(C)nc2O)C1=O 726398926 APEFJCUICVVKOQ-INIZCTEOSA-N 441.513 1.771 30 10 IDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732701318 WDHFRAPZBLYGCC-NRFANRHFSA-N 439.564 1.101 30 10 IDEE C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)O1 732706622 LVJWAPQUINQHOZ-MBOZVWFJSA-N 425.533 1.433 30 10 IDEE C#CCCNC(=O)C(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 733674676 OLUGPQZIIKZRCS-UHFFFAOYSA-N 437.452 1.753 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1COCc1ccccc1 737305151 FPNPRTZNSTVAMT-DQRAZIAOSA-N 448.479 1.985 30 10 IDEE CC(C)(C)OC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C[C@@H]1CCCO1 744008103 UXLKAIJRAZNHEJ-KRWDZBQOSA-N 437.518 1.920 30 10 IDEE COC(=O)C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccc(Br)cc1 746353413 FLNHSTBZDHZCLF-CQSZACIVSA-N 434.250 1.528 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cnn3cc(Br)cnc23)C1 756895412 VNROENFGMINIDS-GWCFXTLKSA-N 435.282 1.981 30 10 IDEE C#C[C@@]1(O)CCN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757468507 ONVNTQALZJTHNL-PXDATVDWSA-N 448.475 1.965 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCC2(C)OCCO2)C1=O 758863884 FBOSTPAGRVJUJW-KRWDZBQOSA-N 434.562 1.839 30 10 IDEE Cn1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)n1 765547687 MTHIAEZUGSCAHR-MRXNPFEDSA-N 426.502 1.319 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)n1 788905523 PGPVBWCUOGJPTG-OAQYLSRUSA-N 439.516 1.992 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCC1(O)CCC1 790012424 TXPPYVFSZFATDG-GOSISDBHSA-N 448.589 2.000 30 10 IDEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 798362920 NYCQFUJNUZIHAY-CJTZNXQCSA-N 429.590 1.650 30 10 IDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 798812356 DTUIBWMRQREGHT-IBGZPJMESA-N 427.482 1.818 30 10 IDEE CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801883367 BAUCUBMPYOCWDI-INIZCTEOSA-N 428.566 1.743 30 10 IDEE CN(CCCn1c(-c2cnn(C)n2)csc1=Nc1ccccc1C#N)S(C)(=O)=O 803181436 FENDMSXFDJGSRP-UHFFFAOYSA-N 431.547 1.731 30 10 IDEE COc1ccc(-c2nc(S[C@H](C)C(=O)N(C)CC(=O)NC3CC3)nc(O)c2C#N)cc1 857991840 OQIUPLXJKHMAEL-GFCCVEGCSA-N 441.513 1.947 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 918817718 SDTNCIAOHVJMHF-CYBMUJFWSA-N 433.408 1.181 30 10 IDEE COc1c(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)cccc1[N+](=O)[O-] 1081103559 BASFGPOFQOFOJN-UHFFFAOYSA-N 428.453 1.671 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(c2nc[nH]n2)CC1 1143874634 FJIPNYMNWASYBT-SFHVURJKSA-N 437.504 1.859 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(OCC#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1158008833 CDKGAELDWNOHOK-MSOLQXFVSA-N 449.529 1.376 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)c(=O)nc1O 1159490197 NJSINYOPCOGHLW-CYBMUJFWSA-N 448.266 1.564 30 10 IDEE Cc1nc([C@@H]2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 1162023058 QRMMLZQXWRTYNS-OAHLLOKOSA-N 430.534 1.728 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2c[nH]c3ccc(F)cc23)c1=O 1189869415 VSPPAIUJDBRSCY-UHFFFAOYSA-N 426.404 1.727 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)CC1 1224060060 MZDFVLGHYGSVJQ-KRWDZBQOSA-N 428.505 1.847 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1286348849 PEEFNUZVHFUNGC-UHFFFAOYSA-N 442.545 1.569 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286387049 NCOKNDNGOXUMQT-WMZOPIPTSA-N 430.578 1.393 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1286436018 RAFTTYYTTHPZPE-UHFFFAOYSA-N 438.532 1.889 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286505421 ZLKWYMCYNVKVTI-HRCADAONSA-N 448.593 1.945 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1286549071 CZRQYMKKNRXWTH-OXQOHEQNSA-N 427.505 1.880 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286709997 KAGURDXOFDHYHH-HUUCEWRRSA-N 430.475 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(C)cccc2C1 1286819418 JUAHMLQSUBFWDS-GOSISDBHSA-N 429.546 1.701 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(C)C)CC1 1286821209 DFMFTYNBFWCSCS-UHFFFAOYSA-N 432.594 1.832 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1286923956 CBHIYGHKJNQWJQ-LJQANCHMSA-N 435.532 1.695 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc32)CC1 1297520028 KADAVBNJUNMHSU-GOSISDBHSA-N 426.517 1.419 30 10 IDEE COc1ccc2c(c1)CN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1298279871 BEDJUQNMNHUOLI-AWEZNQCLSA-N 429.498 1.934 30 10 IDEE CN(Cc1ccccc1S(N)(=O)=O)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1298455273 FOVDYBNCEFAGLZ-HNNXBMFYSA-N 446.916 1.871 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(O)(CC)CC)c1 1300332623 JWAFTCDYJGTHKT-SFHVURJKSA-N 438.532 1.837 30 10 IDEE C#CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424649 KMLKMSKFYHWWJV-JOCHJYFZSA-N 441.536 1.319 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC#C[Si](C)(C)C)o1 1300588562 QWTZEPILHDRLOB-HNNXBMFYSA-N 440.594 1.997 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2c(C)noc2C)CC1 1300700444 PLHRPAODRVBWBO-YJBOKZPZSA-N 446.577 1.344 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1300706522 OXLJWAVKHGLZRT-OAQYLSRUSA-N 441.624 1.524 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cccn2)CC1 1300732762 OMRVIODGRISUDM-UHFFFAOYSA-N 427.578 1.994 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300763022 MJKLSQVIRRTIOX-UHFFFAOYSA-N 445.593 1.900 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)CC(F)(F)F 1300780305 PFMVQOIPQVYARJ-CZUORRHYSA-N 436.504 1.375 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 1300866467 SUFGUAHDXNIJLD-ZDUSSCGKSA-N 445.472 1.736 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1301297604 QXZSULYIBVRMEL-WNNBVUDTSA-N 427.571 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301497324 SMQAQUBQHMUMLT-SFHVURJKSA-N 437.548 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1301501221 TXXLVHAXFHDWKP-GOSISDBHSA-N 438.532 1.613 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(C)c1 1301587272 YBQWLVWYZVRBGI-KRWDZBQOSA-N 447.561 1.783 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301923472 NPKMXSIKQNCUNM-MOPGFXCFSA-N 437.504 1.205 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1302053122 PWIGPIHSJMCLHG-OXQOHEQNSA-N 434.541 1.414 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCOC3)n2CCCCCCO)CC1 1303000235 MLZJQWVNTWLIPW-IBGZPJMESA-N 425.537 1.928 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1306539709 ROALIHHFZQAKAH-PGRDOPGGSA-N 425.537 1.926 30 10 IDEE C=CCC1(O)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1308089597 NYCBHXFMJMFCSI-UHFFFAOYSA-N 435.590 1.880 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@@H]1C(=O)OC 1308154376 WCWFHKAPXCMWHI-HDICACEKSA-N 430.505 1.924 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCN2CCCC2)c1 1358902748 YGAJTDFOQPURDR-UHFFFAOYSA-N 430.516 1.887 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2C)CC1 1358920272 WBLXGTJEJSJBEF-LJQANCHMSA-N 444.605 1.932 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1358957001 OEHYQDZOJILUOY-HOTGVXAUSA-N 448.593 1.771 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1358967984 WXXDBDAAGFZICR-RBUKOAKNSA-N 435.594 1.631 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCOCC1 1358968474 MVZVQGFPLGVPJN-HXUWFJFHSA-N 434.544 1.941 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1358978891 XLANOQRARTXFPD-OAQYLSRUSA-N 437.569 1.311 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359057705 GQQVDWRPJGJKQH-UHFFFAOYSA-N 448.637 1.214 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1359179234 PDOVMEWGCGSOMR-LJQANCHMSA-N 438.532 1.448 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCNS(C)(=O)=O 1359256120 VTBMHXZBQATATB-UHFFFAOYSA-N 439.545 1.897 30 10 IDEE C=CCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290132 JUGLCPASVBCUFA-HRAATJIYSA-N 432.525 1.271 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C)C1 1359300704 ISBYFUIHOFKPHQ-MRXNPFEDSA-N 448.568 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359334908 UNHWCEHOYQLLAN-UHFFFAOYSA-N 449.581 1.235 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1360469358 BETMJZOANDVGJW-LIRRHRJNSA-N 435.575 1.955 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1435647033 KIUMCDWAOOWWHA-UHFFFAOYSA-N 438.365 1.720 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(C#N)c(Cl)n2)c1 1458111108 OGMGSEKHLJIGEZ-UHFFFAOYSA-N 449.920 1.946 30 10 IDEE Cn1cc([C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c2ncon2)cn1 1468479223 PKDHHHLIAGGNSF-MRXNPFEDSA-N 442.277 1.779 30 10 IDEE N#Cc1ccc(C2(NC(=O)Cn3cc(Br)c(O)nc3=O)CCOCC2)cc1 1471088313 CWNBHTRRMUJMGE-UHFFFAOYSA-N 433.262 1.405 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1503104347 COQFUXNEKFHOCA-JTSKRJEESA-N 426.521 1.553 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1nnc(C(C)(C)C)s1 1504886604 GPBGJXQVOMAWPL-UHFFFAOYSA-N 446.581 1.964 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507789642 GSBURSIZWVEBRC-VXGBXAGGSA-N 426.271 1.423 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507842920 FLCPEOFXVYZBPL-ZWKOTPCHSA-N 445.568 1.404 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCCC[C@H]2C1 1508074527 QSTPIOUKFKRIJS-SFHVURJKSA-N 440.548 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1508079399 UNQMERVLWXNSIP-CYBMUJFWSA-N 431.294 1.739 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1508079451 WCPRCBFLVXEACT-UHFFFAOYSA-N 443.515 1.544 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508125151 HQNZRCKPQFLIEP-VEGAHXMMSA-N 449.515 1.572 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@](C)(O)c1ccc(F)cc1 1510147347 BRDWZTXIUSDDRG-BIENJYKASA-N 438.529 1.673 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1519162314 DGBGMUVDPPUOIT-KURKYZTESA-N 447.584 1.483 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(S(C)(=O)=O)ccc2F)ccc1F 1523991867 BWVZLMSCSBYREO-UHFFFAOYSA-N 444.481 1.763 30 10 IDEE C#C[C@@H]1COCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1525109158 IRCLKOQLYCJOJS-CHWSQXEVSA-N 447.376 1.772 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1538984916 SLKFBWHEXRMGRI-HNNXBMFYSA-N 439.501 1.382 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2c3ccccc3C[C@@H]2C)CC1 1539427722 IJKOIRAAHQFERV-IBGZPJMESA-N 435.576 1.623 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 1539429842 CWBFGIAVWWWBCN-UGDMGKLASA-N 449.621 1.375 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(OC)C2CC2)CC1 1539463391 ZXIHCDYFEZTMOH-HSZRJFAPSA-N 442.564 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCN2CCCO)CC1 1539468953 KNFPLQSVUGLFPV-AZUAARDMSA-N 430.597 1.604 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N[C@@H](C)CC)CC1 1539477574 RDOFQODXDBKCPT-INIZCTEOSA-N 438.536 1.006 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1539483137 ZPRLASNEIMEMSN-BJLXPSRBSA-N 435.594 1.295 30 10 IDEE 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C#CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740566732 BQEUNVSJWCKXPX-UXHICEINSA-N 434.544 1.771 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740571478 OXFGAAUJSBLMOQ-QGZVFWFLSA-N 439.520 1.728 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCCc1ccccc1 1740612657 GDJBEKXOTIHSSW-UHFFFAOYSA-N 436.541 1.698 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1740686133 OTYBEVXLSKMIFT-QGZVFWFLSA-N 433.534 1.108 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)CC1 1740807464 BGRHRRBGJBEJLK-UHFFFAOYSA-N 429.872 1.562 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740846255 SPMCJDFIPYWQCJ-INIZCTEOSA-N 426.525 1.754 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)C1 1740972267 GAYBUXMVURYYKQ-BFHYXJOUSA-N 435.497 1.094 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncccc2N(C)C)C1 1740972642 KTMWLXDSZIMESA-JKSUJKDBSA-N 449.581 1.179 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1740993357 YNCRKRRLHPIZDA-QGZVFWFLSA-N 435.937 1.852 30 10 IDEE C[C@H]1CN(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)C[C@@H](C)O1 1741123548 FORDBRNUQJVAKC-OKZBNKHCSA-N 431.585 1.998 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1741274544 OSBZWQVGUMVVNS-WMZHIEFXSA-N 438.532 1.709 30 10 IDEE Cc1cc(Cn2c(N3CCN(c4c(C#N)c(C)nn4C)CC3)nnc2C(C)(C)C)n(C)n1 1742668571 BSSHDXHKAAPTAS-UHFFFAOYSA-N 436.568 1.906 30 10 IDEE CCc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744648634 ZEEHUYZZKGEHJV-YVHXKWHWSA-N 440.479 1.604 30 10 IDEE CCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1744953012 RUEJCDURPUDNEX-GOSISDBHSA-N 448.549 1.750 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1747599260 HHXLUSFLJNFOSV-UHFFFAOYSA-N 428.537 1.922 30 10 IDEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)n1 1748022948 AIDVUACHMWOATD-IBGZPJMESA-N 439.545 1.806 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1748673228 ZRJNHRRMWDULNF-PNLZDCPESA-N 425.537 1.450 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748811873 MUTXOZBDPYEDMM-ZWKOTPCHSA-N 443.577 1.236 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1748824860 KXPLFTNGSQEDSA-IBGZPJMESA-N 435.532 1.355 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1748875239 OJSMZINPUWWKRF-CALCHBBNSA-N 449.577 1.556 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccsc2Br)CC1 1748990861 MVXAIWYUMWREAV-CQSZACIVSA-N 449.378 1.857 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)nnc2C(C)(C)C)cc1 1749687665 XAGXJAAHSGPIJG-QGZVFWFLSA-N 438.532 1.336 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750172923 XKAKDLCTWUQUSM-DPPKGPFUSA-N 433.472 1.568 30 10 IDEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1750243621 GNXWYFRAKRNBGS-BEFAXECRSA-N 444.561 1.822 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1760098431 SJNFYVRUWPAMDG-IRXDYDNUSA-N 441.561 1.639 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2cnnn2C)c1 1760126388 XDNAOXODJISCPN-UHFFFAOYSA-N 427.472 1.573 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760129549 RAODXRWYZXVCSF-UYAOXDASSA-N 443.596 1.209 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1760182941 KZZWOIZOZZXHGE-IBGZPJMESA-N 435.513 1.225 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760187972 MKBPSLINFFXOAO-MSOLQXFVSA-N 436.578 1.494 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760190486 WTQHKOISSZNHJD-PMACEKPBSA-N 442.589 1.841 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1760206815 NSHYNSWPNRQDME-NRFANRHFSA-N 434.544 1.785 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C 1760223582 HOEIVCZLTFUXQI-SFHVURJKSA-N 440.573 1.453 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1760248595 NVMHVAFUEXGNFZ-HZPDHXFCSA-N 434.541 1.476 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760251631 FDBDFIQTCBSPSE-IBGZPJMESA-N 443.596 1.210 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccncc2Cl)CC1 1760256728 JNLOLVRRTHXHNL-OAQYLSRUSA-N 430.940 1.782 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(CCOCC)CC2)CC1 1760270423 XEMZDJLIIONPTN-IBGZPJMESA-N 429.565 1.955 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(Cc2ccccc2)CC1 1760454022 SHKAXDYCEMNKSR-UHFFFAOYSA-N 437.592 1.954 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCc2ccccc21 1760506026 YLVJXTKAQHHYMQ-HSZRJFAPSA-N 425.533 1.873 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760566279 QBWYQVCVJQBEEX-STQMWFEESA-N 440.513 1.867 30 10 IDEE C[C@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CC(=O)NCC(F)F)C2 1761576461 QBDUFLYIGVTDEP-FQEVSTJZSA-N 445.430 1.229 30 10 IDEE Cc1ccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1F 1761707549 HDWYLDRCERCSQL-MRXNPFEDSA-N 443.483 1.023 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1764187137 FICWTYQKHRISQS-HNNXBMFYSA-N 440.570 1.139 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1764457036 DONJHUTXCDJLFB-NMLBUPMWSA-N 432.569 1.995 30 10 IDEE CO[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1769605589 OVGXUELHCZQJPN-HOTGVXAUSA-N 438.458 1.823 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1770051928 QINLRDMKJIFKRM-QFBILLFUSA-N 442.520 1.481 30 10 IDEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770607126 RLDHBVAJBWBICS-MRXNPFEDSA-N 426.550 1.576 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1770629968 DEWVCUZWVFHAMR-WIYYLYMNSA-N 440.548 1.922 30 10 IDEE COCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1771233402 AVDFRHZOCQHEJY-SFHVURJKSA-N 428.493 1.219 30 10 IDEE CN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)c1ncccc1C#N 1851624322 DSPAQCWPBZKDJS-HXUWFJFHSA-N 437.525 1.739 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 1851838592 SYPLYQNHBKIMFJ-UHFFFAOYSA-N 432.477 1.475 30 10 IDEE COc1cccc(N2C[C@@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)c1 1852745696 HALDIZBOPRNNFP-NSHDSACASA-N 433.408 1.919 30 10 IDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(S(=O)(=O)CC(C)C)C3)CC2=O)cc1C#N 1855037003 UVUFFESDMVWNBA-LJQANCHMSA-N 432.546 1.211 30 10 IDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)C1 1855988392 WPJOANCHKCZRDW-INIZCTEOSA-N 442.900 1.217 30 10 IDEE C[C@@H]1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CCS1(=O)=O 1856066200 YQBHNNPCJUNEDR-GDBMZVCRSA-N 437.949 1.904 30 10 IDEE C[C@@H]1CN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCN1S(C)(=O)=O 1856940810 GRTSITJOBGGBIY-DYVFJYSZSA-N 438.937 1.113 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)ccc1F 1857093541 SXTXPPRGWFBZAT-CYBMUJFWSA-N 433.436 1.827 30 10 IDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)c3ncc(Cl)cn3)C2)C1 1857470340 LUAHEFKYTLVYPP-CYBMUJFWSA-N 426.864 1.539 30 10 IDEE C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1869930371 YWROLJHIWCJNFT-GPMSIDNRSA-N 427.526 1.972 30 10 IDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN(CC)CC 1870429902 UMFGURYBVCEAOP-UHFFFAOYSA-N 439.520 1.370 30 10 IDEE C#CCOc1cn(CCCOC(C)C)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871006034 MFCFJPJCEKRRCV-UHFFFAOYSA-N 433.530 1.935 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N3CC(COc4cccnc4C#N)C3)CC2=O)cc1OC 1891376450 WNFZARHHHKPBNJ-MRXNPFEDSA-N 436.468 1.861 30 10 IDEE N#Cc1ccc(-n2cnc(I)c2I)nc1N 1989746603 RGBNFCFGPLLGGQ-UHFFFAOYSA-N 436.982 1.930 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1nc(C#CCCO)ccc1Cl 2241154726 OSFHSZFNBADOTL-UHFFFAOYSA-N 447.900 1.897 30 10 IDEE CC(C)(C)OC(=O)NOCCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243673980 CWZMTMWVFFBMRU-UHFFFAOYSA-N 427.332 1.905 30 10 IDEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247918253 OGNMGCYCXTWBCI-PMERELPUSA-N 442.347 1.472 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247963131 UGPZUUJYCLGCRZ-HNNXBMFYSA-N 446.375 1.729 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)CC23CN(C(=O)OC(C)(C)C)C3)C1 2255149369 WZVUGHRFCAGJNZ-PMFMOCITSA-N 449.548 1.876 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255692593 BWGDBFACHWCRAV-ZDUSSCGKSA-N 435.334 1.101 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2255693904 KDMLIDWLPJUUNH-WBVHZDCISA-N 425.342 1.507 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255697319 AWRDJHLNSUAGJW-HDJSIYSDSA-N 432.330 1.809 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2259345946 NKBXJCQWDPYKLK-UKRRQHHQSA-N 434.346 1.752 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267272480 ZLUGZQMBTSOPBK-HZSPNIEDSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(C(=O)C3(B4OC(C)(C)C(C)(C)O4)CC3)CCN2C1=O 2267501870 DVTJHWYSNDKBJW-LSDHHAIUSA-N 449.357 1.949 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 2267601910 CWMQRHUHHVJHTN-JKSUJKDBSA-N 449.357 1.424 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2272637298 UJMCDBAWBWRDSU-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE C[C@@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1cscc1B1OC(C)(C)C(C)(C)O1 2277957673 ZIZDPRGCSIHYTM-GFCCVEGCSA-N 429.369 1.933 30 10 IDEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1 2328371802 CDGWSOLGHUVDKM-UHFFFAOYSA-N 429.458 1.737 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2334531122 SGZBLLFBUFNBCM-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C2)n1 2337020553 RBSMHOMRBLHEEI-UHFFFAOYSA-N 446.357 1.600 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 27559785 KYCTVTHNMGMVOM-UHFFFAOYSA-N 439.516 1.068 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2ccc(F)cc2)n[nH]1 59887802 WCYXBCCTAXXIBE-LSHDLFTRSA-N 446.512 1.604 30 10 IDEE COc1nc(NN=Cc2cc(Br)cc(OC)c2O)nc(N2CCOCC2)n1 252621066 MSDORFQZENGUTO-UHFFFAOYSA-N 439.270 1.640 30 10 IDEE C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409884058 DPQGNVCPVHMQQT-CJNGLKHVSA-N 428.294 1.882 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1C(F)(F)F 435161555 DONHMDBOCJVJDG-CQSZACIVSA-N 431.436 1.837 30 10 IDEE COc1cc(OC)c2ncc(C#N)c(N3CCN(CC(=O)N4CCOCC4)CC3)c2c1 439104459 CXWYOHLCKPGXAT-UHFFFAOYSA-N 425.489 1.104 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCC4CCC(C#N)CC4)CC3)C2=O)n(C)n1 442730300 QQLBRTDKKUWFCY-SOAGJPPSSA-N 441.580 1.881 30 10 IDEE Cc1cc(-n2cncn2)ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 460759488 QMQUOKGZVVNERL-UHFFFAOYSA-N 436.497 1.594 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 461374210 KQXCXUJVPFYKOO-SFHVURJKSA-N 426.538 1.963 30 10 IDEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)ccc1F 476630660 LIQWJDAWQKTSHA-UHFFFAOYSA-N 427.454 1.855 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2C1=O 486015374 IPDXVEYIZWMMNK-HXUWFJFHSA-N 428.448 1.871 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 502560191 YOROWUSCPWXITG-GOSISDBHSA-N 433.530 1.475 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCNC(=O)C[C@H]3c3ccccc3)C2=O)cc1 504707397 KSMQICOMMNPRAF-PMACEKPBSA-N 445.479 1.853 30 10 IDEE Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(c2ncccc2C#N)CC1 507945342 LJNBZGCJZMRZEU-UHFFFAOYSA-N 427.472 1.322 30 10 IDEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 508740716 RHRFEPGBJZZKPS-UHFFFAOYSA-N 426.340 1.975 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 515662997 VTBSXSYIBCZSPQ-UHFFFAOYSA-N 441.516 1.728 30 10 IDEE CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1Cl 564131138 LGOHOSNZHBKGMH-MRXNPFEDSA-N 436.317 1.764 30 10 IDEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCC(=O)N(C)C)CC1 577531042 DBGFFTATAMFXTQ-UHFFFAOYSA-N 440.548 1.893 30 10 IDEE CCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 616582468 RBCLSYRDYAVQGI-SSSFQFABSA-N 445.509 1.630 30 10 IDEE CN(Cc1csc(C#CCCO)c1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703991814 WEXXQTAKPUOGHM-UHFFFAOYSA-N 446.550 1.930 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C2CCN(C(=O)C(C)C)CC2)cn1 726109211 AXMMWCUGTVSHST-MRXNPFEDSA-N 434.566 1.618 30 10 IDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 741448932 HJZNYWVRJYDMPV-QGZVFWFLSA-N 429.546 1.198 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 751923127 SCXDLHUZHSQBLZ-IUODEOHRSA-N 439.969 1.474 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 757156045 FRZMEFXEZIUWAD-KKTNHOPESA-N 426.502 1.470 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2C)nn1 757590076 HZHTZHCEWZYWCZ-ZBFHGGJFSA-N 441.492 1.858 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CC(F)(F)C2)C1=O 757916470 WIFPVDGQXKBRPD-DFVMWDSZSA-N 439.532 1.790 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758051450 WFNXXFSCXHPLPR-UHFFFAOYSA-N 441.578 1.264 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=CC2CN(C(=O)OC(C)(C)C)C2)CC1 758880783 YMEFUCYSHCKPDK-UHFFFAOYSA-N 438.554 1.282 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1Cc1ccon1 765146863 XPOKTJRDQGRNGM-UHFFFAOYSA-N 431.246 1.874 30 10 IDEE C#CCN(C(=O)NCc1cc(OC)c(OC)cc1Br)[C@H]1CCS(=O)(=O)C1 774193398 RAGQJMYNJRZADE-ZDUSSCGKSA-N 445.335 1.798 30 10 IDEE C#CCN(C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O)[C@H]1CCS(=O)(=O)C1 808868698 BCTATBJHUQFQOI-INIZCTEOSA-N 431.489 1.998 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 809889602 HHULWQNTCAWKEH-INIZCTEOSA-N 434.541 1.864 30 10 IDEE C[C@@]1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]2C[C@@H]2C1 815365799 KLIDSBOBJVAWLZ-LFUKPOHLSA-N 431.514 1.371 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)NC(=O)C4(C)C)CC2)o1 815411340 NDBNTPALNYHGLO-UHFFFAOYSA-N 437.456 1.590 30 10 IDEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@@H]2CCCO2)c1 918730164 ZJLRRKVHHINRIR-IBGZPJMESA-N 448.548 1.825 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)CC2=O)cn1 1132134837 XXQPAYQBGPJQDU-GOSISDBHSA-N 437.500 1.576 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 1192216120 UONNIAYTJAUJBJ-UHFFFAOYSA-N 428.532 1.093 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ccc(C#N)cc3)CC2)C1=O 1197033121 VBTUNBSRSOIBAM-DEOSSOPVSA-N 446.511 1.569 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 1212415957 SURALAYWMUZCNA-UHFFFAOYSA-N 444.575 1.949 30 10 IDEE C#CCCN(CCOC)C(=O)NCC(=O)Nc1ccc(I)cc1 1248663149 ZYAMVIOFKYIKGL-UHFFFAOYSA-N 429.258 1.911 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCSCC3)CC2)c1 1264279339 AMHHXPAXHFWWIS-UHFFFAOYSA-N 443.572 1.405 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(=O)(=O)CC 1286285871 RADGKYOEJHRSMF-QGZVFWFLSA-N 441.561 1.918 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1286296100 LODHVINYMCYNRQ-PGRDOPGGSA-N 426.590 1.930 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1286457124 GWGXJJUOWINCCL-OAHLLOKOSA-N 433.534 1.053 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)CC1 1286566209 RDIVLFNWVMSFMB-APWZRJJASA-N 432.525 1.270 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286606469 QPHBCPVAEHIVCX-HZPDHXFCSA-N 445.524 1.906 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@H]2C)CC1 1286646216 NPKPCCLQDBAMCE-MSOLQXFVSA-N 438.598 1.252 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1289039162 VSOPJKKGUHKLGE-OHTQGHCMSA-N 432.550 1.640 30 10 IDEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1295019152 CJLSECIPXBUUGA-MRXNPFEDSA-N 437.518 1.074 30 10 IDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297546918 KKCYTWFEGPWUQZ-UHFFFAOYSA-N 425.537 1.647 30 10 IDEE C[C@@H](NC(=O)CCC(=O)N[C@H]1CCN(O)C1=O)C(=O)c1ccc(Br)cc1 1298424801 GKDGGIKNNXVKFW-MFKMUULPSA-N 426.267 1.023 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1300274250 VFXSMOXRVUAPJJ-CABCVRRESA-N 433.534 1.440 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1300398913 IDPTXYPURPUBEI-SFTDATJTSA-N 447.495 1.600 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300494981 AVTHGZKKNPUPLW-RBUKOAKNSA-N 437.610 1.072 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nnc(C)s2)CC1 1300691289 SMFQZYNXMSEDQN-UHFFFAOYSA-N 439.545 1.926 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCOC2)CC1 1300728906 JLGCSQWRHVZLJH-XMMPIXPASA-N 437.544 1.181 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)(=O)CC1 1300765481 FIWCLSBMMSMLQG-UHFFFAOYSA-N 426.514 1.748 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300874512 MYFMHTXXWMHXNH-RBUKOAKNSA-N 432.569 1.957 30 10 IDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc(C#Cc2ccccc2)cc1 1301132743 SVGGGQMSLYKCTE-PMACEKPBSA-N 431.448 1.394 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)n1 1301297248 OGDWVCNGPDYFQL-INIZCTEOSA-N 432.550 1.082 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1301503318 YZMYQWQZMGPONW-UHFFFAOYSA-N 431.629 1.774 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(=O)NC)cc1 1301524658 DABHQDIJNYJZPM-KRWDZBQOSA-N 447.561 1.366 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCCC)CC1 1301584946 GROVSDRDIIRNHI-SJORKVTESA-N 439.582 1.616 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CC1 1301720981 GBSISFZXMMMXRU-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1301808593 GEINHZXRPPKIPH-OHZJNBGDSA-N 445.611 1.094 30 10 IDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1=O 1303198631 HHQVVANVKFPTRW-UHFFFAOYSA-N 438.532 1.948 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1306539710 ROALIHHFZQAKAH-XMSQKQJNSA-N 425.537 1.926 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@]3(CO)CCCC[C@]3(CO)C2)CC1 1308136862 YNBBLQWZKLIKAA-JRFVFWCSSA-N 444.551 1.382 30 10 IDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CCCC1 1312954413 UNTLOUAMSQAGFK-UHFFFAOYSA-N 434.547 1.791 30 10 IDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1314633898 SWBSMQDVXRLIBT-HDICACEKSA-N 426.477 1.159 30 10 IDEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1316031231 KJDRWZJRTOKUAV-UHFFFAOYSA-N 437.548 1.744 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1316337637 CVAYSKRDCBUBRG-XLIONFOSSA-N 447.586 1.698 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1325228278 LTEVNAWLHNWIIT-NRFANRHFSA-N 447.601 1.675 30 10 IDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1358926574 UQFUWUOEWMLSGO-JOCHJYFZSA-N 437.592 1.985 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1359018206 HWQARUHUALHMEG-PGRDOPGGSA-N 431.537 1.328 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCS(C)(=O)=O)CC1 1359031469 CRQDCOUJJYLJHR-UHFFFAOYSA-N 432.506 1.043 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1359051522 ZJVSAFHASSINQF-FQEVSTJZSA-N 447.586 1.417 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359181436 RXYAZCPBYLOSSX-QZQOTICOSA-N 439.520 1.329 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359197013 ALYOPPNVTWZXIN-UHFFFAOYSA-N 433.557 1.347 30 10 IDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359213943 MWJVODLWKBYDSO-UHFFFAOYSA-N 444.521 1.341 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1360469770 HCFUVRWRUXCXPV-FOIQADDNSA-N 433.534 1.892 30 10 IDEE C#CCN(C(=O)c1cnn(C(C)(C)C)c1I)[C@@H]1CCS(=O)(=O)C1 1435070231 XRELEYKGUJBOEE-LLVKDONJSA-N 449.314 1.505 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c1 1441763346 DLDJHIUORFLQNZ-CTNGQTDRSA-N 437.471 1.408 30 10 IDEE CC(=O)NC[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1465299030 AIWTVIYPZBLTOO-AZUAARDMSA-N 442.516 1.756 30 10 IDEE N#Cc1cc(NC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)ccc1N1CCC(O)CC1 1466018562 YQNBYYJUWRLMQL-LSDHHAIUSA-N 431.436 1.681 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCCn2cnc3c(N)ncnc32)ccc1F 1469143491 KEJUTZJVIGIXED-UHFFFAOYSA-N 447.496 1.174 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1469871903 IFBCEBNHIUMRAR-SFHVURJKSA-N 434.543 1.429 30 10 IDEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1470031956 BUAZKKTTYGABBJ-BEFAXECRSA-N 437.422 1.512 30 10 IDEE CCOCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1503029621 HIBGNQRUNCLXBL-HCKAZOGZSA-N 431.541 1.260 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504604719 ITRMDCTUHVFNLT-WMZOPIPTSA-N 446.531 1.744 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSCC(C)C)CC1 1507720076 CCSZMTVWCSKYFE-MRXNPFEDSA-N 428.628 1.033 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCN2CCCO)CC1 1507727830 MDASRTLJJGCVPZ-FQEVSTJZSA-N 428.606 1.532 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1507744059 NJLCINSQRMBQRS-QGZVFWFLSA-N 436.545 1.468 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](COCCOC)C1 1507782128 UJALDQRADJFDDE-KBPBESRZSA-N 428.331 1.627 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1508097602 JDIJGIQRDHKAEC-HKUYNNGSSA-N 445.612 1.257 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCNS(C)(=O)=O 1518003663 CNZDBRJIGRQSQP-GFCCVEGCSA-N 426.930 1.752 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1529876691 SVSJTVZUGYYOEC-MRXNPFEDSA-N 425.507 1.126 30 10 IDEE COc1ncc(NC(=O)c2ccc(I)cc2-n2cnnn2)cc1C#N 1538159405 QJYWJNMQWHPPEQ-UHFFFAOYSA-N 447.196 1.794 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(CN4CCNC4=O)CC3)CC2=O)cc1Cl 1538844579 STUQQURQVQRXER-INIZCTEOSA-N 429.908 1.828 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1538983958 ZMJVJDYSJPZMJE-HNNXBMFYSA-N 429.546 1.865 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 1539206282 NYGSMGDUJSITBZ-ZWKOTPCHSA-N 431.537 1.879 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539371536 VCALNMDTOUGDSZ-VQIMIIECSA-N 445.545 1.532 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1539391530 FEENITIJESQQRL-INIZCTEOSA-N 433.509 1.047 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccc(C)cc2)CC1 1539444236 KMQINQXOECTRCR-UHFFFAOYSA-N 429.528 1.834 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1540866185 FTQREPROMSTKHQ-UHFFFAOYSA-N 442.520 1.323 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)C1 1540892017 CXMCVXPSGGZPKZ-JKSUJKDBSA-N 439.582 1.124 30 10 IDEE CCc1noc(C)c1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1546569726 HZIWITRIOGDKLS-IERDGZPVSA-N 430.509 1.955 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(C)O)c1 1552880333 HFQNLQCIISRLGN-INIZCTEOSA-N 448.549 1.085 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1)OC 1555252352 ZFZBTBOLRAHHBI-LJQANCHMSA-N 434.504 1.595 30 10 IDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CSC1 1559985831 BUXZBVXCBBELLM-IYBDPMFKSA-N 437.587 1.474 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CS1(=O)=O 1583837530 MNARBZCKIZAOHB-HUUCEWRRSA-N 441.575 1.367 30 10 IDEE Cc1ccc(C(=O)NC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1586594945 HXVHHBKGAWTQEY-UHFFFAOYSA-N 440.525 1.566 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1588140398 WLJRJROYQFNCQA-HNNXBMFYSA-N 433.921 1.380 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)C(=O)NC 1588471965 AUVKMQLZMDSCGB-UHFFFAOYSA-N 428.512 1.967 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCC(=O)N(C)C)CC1 1588791150 NYBGQJATNPMRAH-UHFFFAOYSA-N 438.532 1.340 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1588876995 QJJJGZHJUFBNMC-HXUWFJFHSA-N 440.523 1.383 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC(N)=O 1589007716 OWLNMSYDSVAHBR-CQSZACIVSA-N 435.575 1.415 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCC 1589069044 IBLZZIMIJQWZAK-HOTGVXAUSA-N 429.612 1.602 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnc(C)s2)C1 1595675052 WVFGOANTIBPWHC-GXTWGEPZSA-N 426.568 1.483 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1614174468 PALHTOJGAZLBAB-LZICOFPGSA-N 443.552 1.959 30 10 IDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)N(C)[C@H]1C 1614995129 ZKKOPMSGSACQMX-RVHRBBGMSA-N 439.559 1.965 30 10 IDEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@H]3[C@@H](n4cc(-c5ccccn5)nn4)CO[C@@H]32)c1 1616125926 ASXNSOQREQEXNX-WCIQWLHISA-N 433.497 1.906 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(C)=O)c1 1620025454 PZROSBGMGAEAKG-BEFAXECRSA-N 428.493 1.738 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)n1 1623369154 BESFVJAFKMOAMK-GOSISDBHSA-N 448.549 1.370 30 10 IDEE C=CCN(C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)[C@H]1CCS(=O)(=O)C1 1626456229 ICLZWXQKPJDJKP-IFXJQAMLSA-N 432.514 1.164 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OCC)Cc2ccccc2O)cc1 1630480762 GTFFIKYTEPGQQD-UHFFFAOYSA-N 430.482 1.509 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 1631416219 LWNPFSBLMGOSOM-UHFFFAOYSA-N 431.470 1.291 30 10 IDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1634053500 PDJBUBGGNQGHBW-JBLFJGJOSA-N 433.553 1.988 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CC2=O)cn1 1638905825 DGEGCKGCDPVFLR-MSOLQXFVSA-N 437.504 1.252 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(n3c(O)nc4cccnc43)CC2)cc1 1645232935 FKPLUEOPUDBCRO-UHFFFAOYSA-N 439.497 1.787 30 10 IDEE C#CCN(CC(=O)N(c1c(O)nc(=O)n(CCCC)c1N)C1CCCC1)C1CSC1 1647549838 UYOIHEAMBXQSDT-UHFFFAOYSA-N 433.578 1.657 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN1C1CCOCC1 1647729344 QRCIKODNJZNIRG-HKUYNNGSSA-N 448.589 1.653 30 10 IDEE Cc1c(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cnn1CCC#N 1648309819 UHMOCAJHHZSYNX-SFHVURJKSA-N 444.536 1.789 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@]3(O)CCN(Cc4ccccc4)C3)CC2)cc1 1652861381 ABIXYFVNBKHNIR-HSZRJFAPSA-N 440.569 1.502 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 1655256315 SQRBWGMXHUPPAE-JQHSSLGASA-N 428.430 1.637 30 10 IDEE C[C@]1(C2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)COC(=O)N1 1655613645 JPJRSTXOAPGSON-DYESRHJHSA-N 431.562 1.667 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1663136046 BAOMDPCEKGQYBO-YJBOKZPZSA-N 445.994 1.677 30 10 IDEE N#Cc1cccc(CS(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)c1 1664447536 GDFOGKGWPLFMRS-UHFFFAOYSA-N 426.542 1.875 30 10 IDEE C=CCCSCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1683854226 ZCYSFBGVTBSCEP-GOSISDBHSA-N 434.610 1.860 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1689832129 XGAQVJJQFIFHGW-PRCFCKQXSA-N 443.523 1.871 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1690204469 LGBZSGXPTMLBDS-XMSQKQJNSA-N 441.557 1.836 30 10 IDEE C=CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690486825 VESSCQYUKHRFMZ-QGZVFWFLSA-N 428.924 1.636 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690509067 WBIYRSNIJMNZBF-KSFYIVLOSA-N 446.552 1.579 30 10 IDEE CC(C)OC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1692598102 CEURIZQMDWJVNS-CQSZACIVSA-N 436.538 1.795 30 10 IDEE CC[C@H](C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1694016650 AIZNAKYAPTXGLA-NCRAAGQRSA-N 441.536 1.565 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@@H](C)[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1696061856 YIKUNYORUDNJDD-HWRTTWIRSA-N 444.536 1.549 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 1696810683 NAYLWFXBSQSPJD-KRWDZBQOSA-N 433.534 1.636 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CC1=O 1698086938 AIXWRAGFLAAOGY-UHFFFAOYSA-N 434.504 1.202 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1698461517 MVSVERZPJZKIFP-LZICOFPGSA-N 437.504 1.870 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705561010 MSWHOBCYDDXRSP-IEBWSBKVSA-N 430.530 1.759 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705563915 HUUIHFWQOMGPPK-KZNAEPCWSA-N 431.562 1.725 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1705587176 KIFYKOYMRYLPMM-UHFFFAOYSA-N 433.472 1.150 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705786294 KVAAZKFPRHEMIS-AUUYWEPGSA-N 426.587 1.453 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1705906458 GDMLLMMQKZQFOK-SFHVURJKSA-N 447.503 1.464 30 10 IDEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 1708243487 ABKKJVYNUJVYJB-ROUUACIJSA-N 437.548 1.594 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708315323 RUNZGRIAZCDEAE-SZNDQCEHSA-N 430.509 1.698 30 10 IDEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1711100013 FYPIIFVXABYLTB-FQEVSTJZSA-N 427.486 1.596 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712701051 ZCBADJUAECCZAN-UHFFFAOYSA-N 442.476 1.664 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCO3)n1CCSCCCO)C2 1712879393 YUADSVLMZXGFJC-QGZVFWFLSA-N 430.534 1.780 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1noc(CC)n1 1722355604 ZIDUJRTWFRYKEN-OAHLLOKOSA-N 445.524 1.844 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722362484 UXXXBZHPJPKCGM-KURKYZTESA-N 431.562 1.461 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1722369174 ZHDSQYWICRLIPP-QZTJIDSGSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722381094 HQHMAHYCKYSJPM-WOJBJXKFSA-N 446.511 1.468 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1722500027 AYLMGKDKSZUXMU-CMKODMSKSA-N 427.553 1.823 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F 1722699554 WAGZKZUMSFOWKH-INIZCTEOSA-N 435.525 1.648 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1F 1722699556 WAGZKZUMSFOWKH-MRXNPFEDSA-N 435.525 1.648 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722700629 OFNAZDPMSLWGFB-RBUKOAKNSA-N 429.496 1.694 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)C1 1722711850 XOGRHJOFEOTXMT-OLZOCXBDSA-N 445.496 1.310 30 10 IDEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722741293 GSFZWKWPDXIRNX-QGZVFWFLSA-N 444.536 1.074 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCCC1 1723782643 CBOVBGQCSLYJML-HNNXBMFYSA-N 444.561 1.874 30 10 IDEE C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1726702619 IKSNEVVYTVDIBN-HLAUDOPJSA-N 429.525 1.060 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740623344 RSDDOKSYPODPGQ-IAGOWNOFSA-N 433.578 1.477 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1740623787 AVNVPYNTFYRLJE-IBGZPJMESA-N 428.558 1.605 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740626850 NPKKOYRBQQVRTO-RBUKOAKNSA-N 435.594 1.631 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740640059 XGDMOHAESMPIDI-IRXDYDNUSA-N 425.455 1.856 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccnc2C)CC1 1740826026 WQGZZLVNMQKRCM-SFHVURJKSA-N 447.565 1.109 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740843769 PPQFPFZZVVBDMT-OWCLPIDISA-N 438.598 1.548 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1740932093 HBBXGBTVQJHJPG-IRXDYDNUSA-N 425.555 1.216 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740994621 QGDDQDUHFLABCC-UWJYYQICSA-N 438.594 1.996 30 10 IDEE CC(C)(C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741165748 AVNVNXFUXAGXDF-YWMAMYRUSA-N 429.525 1.194 30 10 IDEE CC(C)c1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741360211 GEFCCJXEMINABK-JLUOLNIDSA-N 427.553 1.993 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1741904680 BYLCVROZNNZWJX-VLIAUNLRSA-N 432.550 1.557 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C1CC1)N(C)C 1748649379 OBLNGSWJJABWFD-JXFKEZNVSA-N 444.605 1.994 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CC=CCC1 1748651486 NFTKKGOOAFSGJF-GOSISDBHSA-N 442.589 1.915 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC2CC2)c1 1748697464 JGIBUSFRIYEQFE-LJQANCHMSA-N 436.516 1.712 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1748860158 XHLITAPHNAOIKM-SFHVURJKSA-N 443.548 1.964 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOc1ncccc1F 1748960995 UFVZSNHYEUSQTF-UHFFFAOYSA-N 442.451 1.705 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1748991415 WNDBPVAPVPKRPF-MSOLQXFVSA-N 445.568 1.145 30 10 IDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2C[C@@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1748992929 KOYZIEYMWZSNTH-CEXWTWQISA-N 444.580 1.620 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1749125824 YKSFDKCWZZHTMZ-JXFKEZNVSA-N 426.521 1.792 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1(C)C 1749220768 FRFQPHQSUQIGGK-PGRDOPGGSA-N 427.505 1.741 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749398999 YIIROFJAKYUQSP-SJORKVTESA-N 436.582 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cnc(C)s1 1749738164 HSOBGRMURUCPFV-UHFFFAOYSA-N 438.579 1.403 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1=O 1749877970 CIQCJPMAFKUPNN-KRWDZBQOSA-N 446.458 1.536 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccc[nH]3)n2CCSCCCO)CC1 1750384717 LOVPQYWMZYRVRU-UHFFFAOYSA-N 438.561 1.982 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1751164312 LNKJEQURFWZKMS-APWZRJJASA-N 441.492 1.550 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760139842 QUHOFJKQESNIDM-UHFFFAOYSA-N 448.575 1.530 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1760209654 GDYNDEWQCUTKEP-QGZVFWFLSA-N 429.546 1.546 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(C)(C)O 1760243646 COVFKTJJTSPIJZ-UHFFFAOYSA-N 448.593 1.794 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1760248593 NVMHVAFUEXGNFZ-CVEARBPZSA-N 434.541 1.476 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760263053 MAGDUNZGRJFGSH-FQEVSTJZSA-N 427.574 1.253 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCC)CC1 1760266743 LEBOPFXKYASXFZ-UHFFFAOYSA-N 426.477 1.856 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760281670 PQSCNDXASBJORD-MSOLQXFVSA-N 438.619 1.800 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1760352578 SCXJGLQJLWNXNH-JKSUJKDBSA-N 429.587 1.732 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(N)=O)cc2)CC1 1760389936 XDCQYIPSKCZFLW-INIZCTEOSA-N 430.534 1.876 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1760412914 UKSKZRMWXWVLPC-HNNXBMFYSA-N 439.582 1.253 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760445684 SBSLTXNDXDNLRI-MRXNPFEDSA-N 425.555 1.120 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760527166 OCTNQASQWXMTQV-KRWDZBQOSA-N 440.504 1.015 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)C1 1760551870 UWSOQUHQIDCSJB-UHFFFAOYSA-N 427.889 1.275 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 1760552660 WNWPTLZRPCSHPA-UHFFFAOYSA-N 432.550 1.423 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1760555983 RUBVJADQDWSJRB-FGTMMUONSA-N 440.566 1.505 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760677274 LULRUPHRBNYQTD-GJZGRUSLSA-N 432.550 1.601 30 10 IDEE CCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1768155701 WYIBBEQGNSTZGF-UHFFFAOYSA-N 435.536 1.541 30 10 IDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1768570541 NKUIFWHNQGUWPY-JVMRMLDLSA-N 439.545 1.732 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC(F)(F)F)c1 1770736255 XKKIGPITAJTMQD-UHFFFAOYSA-N 429.424 1.978 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1771130772 YETBTWXZWOLGCP-IRXDYDNUSA-N 430.534 1.154 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1-n1ccnc1 1771222825 MUNRZQUCOIBYRD-HKUYNNGSSA-N 437.504 1.965 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1772564307 FYMJQOQHIWZYDI-INIZCTEOSA-N 435.525 1.300 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1772564743 BFBLZXSPKGMIFF-VQTJNVASSA-N 445.589 1.703 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1772567341 RINDEWHVXKUEIG-ZOKDDAQRSA-N 431.562 1.848 30 10 IDEE CC(C)(CN1CC[C@H](N2CCNC(=O)C2)C1)C(=O)Nc1sc2c(c1C#N)CCCC2 1852498257 AUNBDYJQMUXELF-HNNXBMFYSA-N 429.590 1.969 30 10 IDEE Cc1ccc(C)c(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 1854036301 BUSYYGGZSLBFTC-UHFFFAOYSA-N 427.482 1.614 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1 1855713280 YYDWAAIQCBWGJM-RDJZCZTQSA-N 436.509 1.199 30 10 IDEE C=CCNC1=C(c2ccc(C)cc2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863620176 JMTUXFWVGDDQAE-UHFFFAOYSA-N 425.510 1.741 30 10 IDEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870574103 AKHZQFMBPHFYPZ-UHFFFAOYSA-N 431.533 1.986 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874336269 ANYYYMFIMBLJOA-GNZXAGPDSA-N 431.478 1.370 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cncc(-c4ccnn4C)n3)CC2)cs1 1891497259 OAOOSZHWOAGKBD-UHFFFAOYSA-N 438.517 1.212 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCC(CN(C)S(=O)(=O)C3CC3)CC2)cs1 1891833257 YXCDGDKFXNEJHW-UHFFFAOYSA-N 426.564 1.335 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(COc2cccnc2C#N)C1 1891982650 AKDGIFGEMCQSSQ-QGZVFWFLSA-N 445.501 1.249 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1909079262 PFZCIYWSWZVFOR-QLFBSQMISA-N 439.509 1.872 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060627320 HVOSJSXEHPCRMD-MGPQQGTHSA-N 435.330 1.273 30 10 IDEE C=C(CNC(=O)[C@@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2084667521 GKSCXGFHZSANOD-JYJNAYRXSA-N 440.346 1.940 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124537387 XSHQBKZSKUBWQM-QZTJIDSGSA-N 446.353 1.972 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247833419 GEUQFFRGFNTSQR-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE Cn1ncc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255545051 KFBNESGRNMBZGJ-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2255630075 FJEMJFOITRKJRZ-KGLIPLIRSA-N 434.346 1.942 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2255637475 HACBQWHDZPQYBB-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE Cc1cccc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255875899 GPFDFLZBULJQAF-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255876625 DWGOUCUHVVIPLT-JKSUJKDBSA-N 433.314 1.403 30 10 IDEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)C(F)(F)F 2267586478 KVWSHOOYQQNSES-IUODEOHRSA-N 441.259 1.910 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H]2C[C@@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2312595710 PCGKSECETNEZAA-DGAVXFQQSA-N 439.372 1.678 30 10 IDEE COCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 2314435781 MZEYFBREKHODPB-UHFFFAOYSA-N 448.570 1.640 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315534417 SBRKQPIWOXIHDL-UHFFFAOYSA-N 434.346 1.658 30 10 IDEE C=CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 410069477 DNYFZDXFNGTOSQ-INIZCTEOSA-N 443.953 1.006 30 10 IDEE Cn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447782979 KYTUNIHWFXBJMH-UHFFFAOYSA-N 427.489 1.774 30 10 IDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461275918 AVRSJBOJRVTGNE-UHFFFAOYSA-N 433.472 1.694 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1C 465118752 FWWFIMOQVKKZRO-KRWDZBQOSA-N 442.545 1.323 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)s1 478742810 DZXXHCQHRYPOBC-JKSUJKDBSA-N 444.578 1.958 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480956349 NWGSVMAWDVBRDW-UHFFFAOYSA-N 444.472 1.736 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC3)C2=O)n(C)n1 506574848 DRYDYLDSWHVJRI-SELNLUPBSA-N 443.596 1.285 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 507492819 QINHAWISABEVDV-AWEZNQCLSA-N 428.942 1.059 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2cccc(OC)c2OC)CC1 508466994 WGKLBFTUOYGNFW-SFHVURJKSA-N 443.504 1.532 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(F)cc1 514917562 DZCKYJOTHLKKAC-UHFFFAOYSA-N 428.514 1.832 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 517988981 YECSACTYXSGDHX-AWEZNQCLSA-N 432.571 1.135 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCO3)CC2)nc1 555401390 VXPFMIZJLDFKSG-MSOLQXFVSA-N 425.493 1.138 30 10 IDEE COc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 578704028 KQMOKIKFKQLZEV-UHFFFAOYSA-N 445.497 1.526 30 10 IDEE O=C(NC[C@@H]1CCCO1)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673748 RDNJQCFJEHPYCN-KBFDENLNSA-N 434.452 1.930 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O 609492483 FQWZLCBAQYSUMY-LJQANCHMSA-N 426.498 1.756 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCc3ccc(C#N)cc3F)cn2)CC1 609564990 JLLQDUCCKZXZJY-UHFFFAOYSA-N 432.481 1.496 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1Cc1ccccc1 619539283 ZYQIPDOSMSWVLT-UHFFFAOYSA-N 439.924 1.869 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)cc1 730140990 YKFHOMACAHXUMH-KRWDZBQOSA-N 433.578 1.519 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1cnc2c(cnn2C)c1=O 731069488 BGGIGNRHMJYKSY-ZDUSSCGKSA-N 440.485 1.564 30 10 IDEE C[C@H](CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742662682 LFLFUCULMOOGJM-HZPDHXFCSA-N 432.546 1.365 30 10 IDEE C[C@@H]1NC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)=NN(c2ccccc2)C1=O 749377841 LQXGQFPSIFVFTQ-KBXCAEBGSA-N 448.508 1.737 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 750045250 HWXWHCQSGGEHRF-QFIPXVFZSA-N 439.560 1.357 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 756975831 VPUXLYUBCVMDEE-QGZVFWFLSA-N 428.533 1.701 30 10 IDEE COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc12 759030904 ISGCPVRMFCRGRZ-INIZCTEOSA-N 436.468 1.529 30 10 IDEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)C(C)(C)O1 764986225 BQUPWGRJGSKBKI-JPYJTQIMSA-N 425.533 1.922 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)CCN3C(=O)c4ccccc4C3=O)cc2C1=O 767241842 UAIKSNWGLJGMCS-UHFFFAOYSA-N 446.415 1.881 30 10 IDEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1[C@@H]2CCCO[C@H]21 780309627 NFHXCUKDBWMAAF-CGBFIWBNSA-N 431.514 1.934 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnc(N(C)C)nc1 780765052 VLBKQNCAEVXPMF-QGZVFWFLSA-N 444.561 1.799 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134403 FDQYGNYAKQVBCP-UHFFFAOYSA-N 448.552 1.321 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(Cc2cccs2)c1=O 782660393 QVZFWUAPMZNEHR-UHFFFAOYSA-N 432.328 1.542 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCc2cnccn2)C1=O 790739211 NPKSLMYJPVMWFS-INIZCTEOSA-N 432.575 1.780 30 10 IDEE C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 803700214 GNAOXRPTQIYGMV-SFHVURJKSA-N 430.526 1.422 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 812189461 ANVFUICKZPGEIF-ZWKOTPCHSA-N 448.568 1.683 30 10 IDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)CC2 813981359 MXGCGOQPLLNQSV-LLVKDONJSA-N 425.392 1.681 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 918755142 SUIIRKSSWAMJEJ-GOSISDBHSA-N 438.571 1.045 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)Nc2nncs2)n[nH]1 1084218697 QCHUJNOUKVKCKQ-UHFFFAOYSA-N 436.527 1.029 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-n4ccnc4)ccc3O)CC2)cc1 1141411510 ACLVCZWGQJOMER-UHFFFAOYSA-N 437.481 1.596 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@](C)(C#N)C3)CS(=O)(=O)[C@@H]2C1 1152085857 RXKUTODMUQLNIR-AXHMDWHKSA-N 425.551 1.809 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1152605443 LNASJYLJCYQXIZ-SJLPKXTDSA-N 427.505 1.720 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)C1=O 1154713694 QAKAJBCQGIGEOQ-UHFFFAOYSA-N 440.378 1.447 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H](O)[C@H](Cc4ccccc4)C3)C2=O)cc1 1159073220 DMEBCJZCIUYQJZ-HLAWJBBLSA-N 432.480 1.825 30 10 IDEE C#CC1(O)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)C1 1179982835 VBJVYCULHBAWRR-LLVKDONJSA-N 433.349 1.260 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1 1195259919 DIPPLSFYSHFDQN-UHFFFAOYSA-N 427.592 1.947 30 10 IDEE COC(=O)C1(C#N)CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1211839169 AIQRTIJTISDMRP-GOSISDBHSA-N 449.529 1.896 30 10 IDEE CO[C@]1(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCS(=O)(=O)C1 1251162473 NPXSSLNKIAZKHP-FQEVSTJZSA-N 434.518 1.122 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1286395875 ORZRSDXLMHOUGE-ROUUACIJSA-N 434.566 1.191 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286398520 YDPMEJWFODICLX-SJLPKXTDSA-N 443.529 1.390 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCN(CC)CC1 1286415843 RMIGBJURKLRPTP-UHFFFAOYSA-N 439.608 1.395 30 10 IDEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1286707642 GRNHXZBLAWTZPO-CYBMUJFWSA-N 437.342 1.950 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286785904 TXZWZSIUWCLJKX-UHFFFAOYSA-N 444.561 1.580 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)c1ccccc1 1286788188 RTBZJDTUSOPHQA-SJLPKXTDSA-N 431.562 1.722 30 10 IDEE C[C@@H](CC#N)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1290560667 KPZFHTLASGMMLA-ZDUSSCGKSA-N 442.925 1.308 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1298013072 FLMUFUGQHYTYJW-UHFFFAOYSA-N 447.490 1.309 30 10 IDEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1299676722 HVHRONOYMPQPDW-QZTJIDSGSA-N 438.536 1.493 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1300499454 RZVDCOHESMIBJJ-KRWDZBQOSA-N 430.530 1.481 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1300509737 SZAHBLZNOCHPNP-AWEZNQCLSA-N 444.542 1.726 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](COC)OC)CC1 1300726763 PXEGRKCRYHNVCC-IBGZPJMESA-N 443.523 1.635 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCOC2)C1 1300824474 SZAJNWQHOSPLOK-KRWDZBQOSA-N 426.315 1.418 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(C)C(C)C)CC1 1301086332 HYLUHIKGXTXGCV-SFHVURJKSA-N 440.614 1.498 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC[C@@H](O)C1 1301806340 CSCNHRAUDFADDS-JKSUJKDBSA-N 430.509 1.923 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC[C@H](CO)O1 1302953881 DRMHORQAQFGPDN-OKZBNKHCSA-N 440.552 1.393 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)n1 1304739284 ADOJVUQRTMQLQO-UHFFFAOYSA-N 448.531 1.507 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 1307992787 OJLIQOQUDWXJKN-RHSMWYFYSA-N 425.482 1.123 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)CC1 1312276432 XQZMBOFQPSEURR-HNNXBMFYSA-N 446.533 1.155 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@@H]1COCCO1 1314400641 WRSIRTAFKIIKAH-OAQYLSRUSA-N 440.548 1.814 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1314497466 YUMQUTYOYVSIIJ-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)cc1 1350773090 CRAGBGYHCZAVRL-ZUGOUDHMSA-N 440.525 1.896 30 10 IDEE CCS(=O)(=O)N(C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1350885905 XNIOFMITVFKOJS-LVZFUZTISA-N 444.579 1.500 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358962944 ZLXVUNZVFBRIMR-WMLDXEAASA-N 449.483 1.182 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NC1CCCCC1 1358984170 LIRKKSREBAIVCJ-RXVVDRJESA-N 427.549 1.914 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(N)=O)cc1 1358984332 QRTKNZNFBNTKLE-UHFFFAOYSA-N 442.483 1.927 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1359010313 LWYQEAAJJNXHKB-IBGZPJMESA-N 431.562 1.736 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1359031184 SPPKREJNNIOPNG-YDHSSHFGSA-N 431.581 1.889 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1359102421 BALUUEZKMCMNPH-GJYPPUQNSA-N 442.545 1.980 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC(F)(F)CO2)CC1 1359165811 XJOICWXDUQSBHI-HUUCEWRRSA-N 447.508 1.192 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1359240535 QUSSXRWCZMYZMW-GOSISDBHSA-N 433.534 1.312 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1359304955 ORISJUUNYNBPAD-OAQYLSRUSA-N 433.940 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359332041 NGMIVUWSAFZVEJ-UHFFFAOYSA-N 447.565 1.123 30 10 IDEE C=CC[C@]1(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1443492559 HTDHCJXXMGVNRK-HSZRJFAPSA-N 449.596 1.844 30 10 IDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1ccoc1C 1458829326 WFHUHBHVVFUDNR-UHFFFAOYSA-N 439.563 1.665 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCc2ccnc(C#N)c2)C1=O 1467726036 CBTFMDRTJQYEGE-IBGZPJMESA-N 442.273 1.799 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c(=O)nc1O 1470360089 BXWJSNUCSHUQAX-LJQANCHMSA-N 430.420 1.705 30 10 IDEE C#C[C@H]1COCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1475892548 STKFDINBGPCKMO-WBVHZDCISA-N 435.502 1.126 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1478932381 ZOKCIAITVFNAFE-HZPDHXFCSA-N 427.567 1.996 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CCN(CCN(C)C)CC1 1492909800 WPGSDBMTGYWVBE-UHFFFAOYSA-N 437.596 1.453 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1494603684 UVIZXHQZXLAZKN-PKOBYXMFSA-N 426.521 1.675 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1503525858 LIDJWAOQVNDSMX-ZPHPHTNESA-N 426.456 1.446 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1C(C)(C)C 1504883733 DAMHPWHERIXPFU-UHFFFAOYSA-N 429.529 1.275 30 10 IDEE COCCOCCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505045173 XFTZAFAADFWPDS-MRXNPFEDSA-N 442.520 1.760 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1507564071 MLDPACLOUYNLPK-QZTJIDSGSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507626075 MUUYUUOFEHNVIY-NVXWUHKLSA-N 439.582 1.859 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1 1507637494 KNZSSWPJWLVOCY-UHFFFAOYSA-N 436.491 1.464 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1507719787 QFPUNKMIRSIINW-QTEQDKRBSA-N 429.565 1.667 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507724678 VKNPDHKZSSWSGU-OAQYLSRUSA-N 436.608 1.045 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(OC)CC2)CC1 1507731675 ODJSJVPYVCKDIK-XBMUEBEBSA-N 435.594 1.141 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1ccnc1C 1507820692 KHPBQBRCTWWFLX-KRWDZBQOSA-N 437.570 1.219 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507927122 XRRHWOGZCINTNJ-CRAIPNDOSA-N 445.611 1.260 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)C1 1508109658 NCBOUHCIUOLOBN-DLBZAZTESA-N 428.493 1.512 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1508405317 FAWKVRBRARFXDF-HNNXBMFYSA-N 431.541 1.977 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(S(C)(=O)=O)CC2)CCOC1 1509793995 XAVKACFRRPLZDD-DNVCBOLYSA-N 425.555 1.634 30 10 IDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1517331679 JNGZAAOHEGMGOL-HXUWFJFHSA-N 440.548 1.924 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)ccc21 1523944468 HCORSBQTMUHCAV-UHFFFAOYSA-N 443.467 1.476 30 10 IDEE C=CCN(C(=O)[C@H](NC(C)=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1528599809 HJTDQSTXHIVVQQ-HZPDHXFCSA-N 429.336 1.828 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)C1=O 1538233446 BITZSTXFJSLPIH-AWEZNQCLSA-N 434.493 1.402 30 10 IDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CCOCC1 1538244669 ZWJCEYSJQSZAJB-UHFFFAOYSA-N 432.542 1.979 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)NC(C)C 1539030323 QGEDNPBAUDCXBD-CQSZACIVSA-N 438.579 1.055 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539207179 ZRIRWLPSMYJKCX-AEFFLSMTSA-N 431.562 1.531 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539220221 HPNFQAQJUVZGQZ-OIISXLGYSA-N 449.602 1.977 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1539299615 LBTLLNSPHRGDIN-QPPBQGQZSA-N 443.592 1.894 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCC(C)CC2)CC1 1539484541 SWLAPIHNJQCFDJ-UHFFFAOYSA-N 449.603 1.962 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1539516800 DEWPZNXBXHHCCU-OAHLLOKOSA-N 447.590 1.855 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nncn2C)CC1 1539848713 QQJODODEJICRHH-INIZCTEOSA-N 444.540 1.920 30 10 IDEE CCN(CC)C(=O)CN1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1540568528 GKRCRNIZFMPTOA-UHFFFAOYSA-N 437.338 1.712 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCSCC2)C1 1540894946 HTLKBTDLPWDFOS-IBGZPJMESA-N 431.610 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 1540902021 YBXMJGJIVRJWEI-UHFFFAOYSA-N 435.941 1.964 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 1542894584 DEULLTBPYHNQPH-UHFFFAOYSA-N 431.334 1.757 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1543739600 IISHHERKGYVHTN-QZTJIDSGSA-N 434.562 1.216 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552422322 KCZINBALYNDUHF-BCOMRZATSA-N 433.969 1.939 30 10 IDEE CN(Cc1ccco1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1554181835 MRHCDQIYISVKCE-FMQUCBEESA-N 439.476 1.156 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)C[C@H]1O 1554549821 MZEYSHIEOQIHLC-BHIYHBOVSA-N 441.488 1.268 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1C(C)(C)C 1588574509 KOEADURWLUYVDT-UHFFFAOYSA-N 437.508 1.406 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCOC2)CC1 1588907701 DRWPRDQFVGQTCC-NRFANRHFSA-N 444.923 1.111 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589528036 CJJZDKAFLBVCDW-NUJGCVRESA-N 432.550 1.730 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1595386799 HGAROXXGZVQZQW-CQSZACIVSA-N 436.538 1.300 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H](C)C1 1595537501 RYQDLAPXVUTKHE-HZPDHXFCSA-N 435.532 1.977 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1595761029 WNJARBNLYLANFM-MRXNPFEDSA-N 441.598 1.801 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595776761 FESGVBNEFLCGHQ-KRWDZBQOSA-N 449.558 1.041 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCNS(C)(=O)=O 1620097332 ZAGQITBLERXTQY-HOTGVXAUSA-N 440.570 1.071 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1620180751 FGSYXTYWMZBZQL-UKPGIYTDSA-N 444.536 1.883 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2c(Br)nc3n2CCOC3)C1 1624820278 YDEJARDXOYHQME-MNOVXSKESA-N 440.298 1.665 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 1629601103 PIFDOVQJMVPMQC-UHFFFAOYSA-N 443.323 1.973 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)s1 1631284096 NGINUFWFTIZOGH-HNNXBMFYSA-N 426.482 1.917 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1634782476 KUYCBQPNPUAJSU-IAGOWNOFSA-N 427.567 1.015 30 10 IDEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1640033574 AFMWAAPBPHAGHV-IBGZPJMESA-N 439.501 1.123 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 1640915804 APXWBQWZANOHFC-GOSISDBHSA-N 430.482 1.685 30 10 IDEE C[C@@H](CC(=O)N1Cc2cnn(C)c2CC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1647900330 XDFSUJOULJCSIT-AWEZNQCLSA-N 429.546 1.848 30 10 IDEE Cn1nnnc1C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1651364592 CTBGEDUQENPHRS-UHFFFAOYSA-N 430.310 1.687 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CC)Oc2ccccc2Cl)CC1 1678491100 ANRLAZXXNJPYFM-HNNXBMFYSA-N 428.942 1.292 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC 1680686357 WIXDKNBCLFSYNF-CQSZACIVSA-N 435.468 1.510 30 10 IDEE CC(C)(CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)CS(C)(=O)=O 1684009549 NTLKUWXUWOYBSD-UHFFFAOYSA-N 444.561 1.851 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1687386501 KXSWYMBJSLQENV-HXUWFJFHSA-N 435.509 1.613 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCSCC1 1689948822 HJIYQLFYCWQHKW-UHFFFAOYSA-N 447.634 1.665 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1690003832 ZILMFKTVKJTZEA-PMOQBDJRSA-N 428.533 1.731 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1690019067 ADBQSRGIIYUZBC-QGZVFWFLSA-N 433.559 1.102 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1690026967 UDMXNPLEPNCTGX-UHFFFAOYSA-N 425.452 1.344 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690056299 MWBCFQCKEYDWDY-HNNXBMFYSA-N 428.459 1.237 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1NC(=O)CC1(C)C 1690104677 DVFIZYVKDWHYIN-LJQANCHMSA-N 425.533 1.878 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690430306 HZCQQPOUKHYHQO-MRXNPFEDSA-N 438.598 1.740 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCC)CC1 1690673240 RSOYJMBETITDMY-UHFFFAOYSA-N 425.537 1.309 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)N(C)C 1692721715 GQBPCIHIDYPTRO-MRXNPFEDSA-N 441.536 1.150 30 10 IDEE CCNC(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1695919900 GQXULBGZXKNXBQ-NRFANRHFSA-N 427.553 1.837 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705510212 OJVIKPRIKRJVDF-JKSUJKDBSA-N 436.582 1.187 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@](C)=O)cc1 1705601154 ZXICIAKFWCVYHN-HKBQPEDESA-N 437.569 1.790 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCOC2)n1 1705631534 IHFBQVAYUKMSAG-OALUTQOASA-N 428.537 1.691 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(C)CCO[C@H]2C2CC2)CC1 1705634610 DARPAARINSJVCH-LEDOBFOHSA-N 431.581 1.963 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCCCS(C)(=O)=O)CC1 1705641758 SAKNAIMIHASPRT-UHFFFAOYSA-N 435.619 1.901 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705652551 DFBPAQSPIQKCEA-UHFFFAOYSA-N 449.602 1.823 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1705661529 DHCOFHNCBACHAY-WBVHZDCISA-N 448.618 1.794 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 1705700795 YQQCMLYMFKPVKC-PVAVHDDUSA-N 425.555 1.191 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1705843462 FVDYCMDUYVJDJM-MRXNPFEDSA-N 427.571 1.583 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1 1705864435 BPVNCQSPQFDMOC-GOSISDBHSA-N 429.496 1.973 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705892755 FGIYTTKJWCBDNN-NRFANRHFSA-N 428.468 1.997 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H]1c1nncn1C 1705898449 MDCPXTYJCQBKEY-CQSZACIVSA-N 427.900 1.766 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](COC)C1 1705901728 VDHRPZZSVOURNX-HNNXBMFYSA-N 430.509 1.561 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1705943430 APNNZVCVYZDUJF-UHFFFAOYSA-N 434.522 1.813 30 10 IDEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1708908437 FEAZJDSSQISAIV-HXUWFJFHSA-N 447.536 1.889 30 10 IDEE CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709645655 IAHIIVVLBWMSDU-JUQVVLDHSA-N 443.552 1.634 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)C1 1711274941 GTZVRJRHBKDGDE-OAQYLSRUSA-N 439.545 1.888 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1722295766 MCEUWSURZKKNTI-QFBILLFUSA-N 446.577 1.183 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722368197 PMWJVFKXRCOSNG-RTBURBONSA-N 444.557 1.660 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722402262 KAKYHUPIUFZZEL-KGLIPLIRSA-N 428.559 1.261 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCOCC2)n1 1722426696 ABTFDRWMDBMSRD-LJQANCHMSA-N 443.596 1.779 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC(F)(F)C2)CC1 1722441180 NALKJFODVZHBCP-INIZCTEOSA-N 448.518 1.915 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nncn2CC)CC1 1722442429 WKMCKHGBLDDEGW-IEBWSBKVSA-N 426.569 1.612 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722458210 FZMAOSDMBGKLKF-DLBZAZTESA-N 446.621 1.974 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722625044 NKSPSLNMESUKQG-UHFFFAOYSA-N 442.568 1.999 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722629461 RTZHBUHDKTVZCA-UHFFFAOYSA-N 432.569 1.688 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1722868045 IMYLXIUXNMZSGG-WBVHZDCISA-N 444.540 1.964 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1729557224 WJTNFNKJCRHHRC-MRXNPFEDSA-N 430.534 1.212 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1740567305 PUVYNHQMRGTMCY-MRXNPFEDSA-N 446.581 1.117 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1740625516 GQHNYOCLRUIBTI-KRWDZBQOSA-N 437.610 1.656 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1740700059 DQIYPAATLVVZIB-QFIPXVFZSA-N 438.576 1.185 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1740745403 TXOOPQPPKHUJSE-CQSZACIVSA-N 446.371 1.676 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1740828648 SAMNAGGXJOMPKY-HXUWFJFHSA-N 429.613 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2F)CC1 1740959336 SFWYAHBLCDJEFE-UHFFFAOYSA-N 436.495 1.811 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740960745 ZHNNISVUDQRWRH-KRWDZBQOSA-N 433.557 1.058 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740962235 WNZQAHGFIAFRRA-QGZVFWFLSA-N 441.467 1.580 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964349 BDRBIGRZTGHQDW-LAUBAEHRSA-N 444.540 1.054 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1740977951 LRYDQUWWMOINRA-JPYJTQIMSA-N 443.548 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1740994981 ZGPOGZYXXSYEDI-FHWLQOOXSA-N 437.610 1.726 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1740995325 IDXVBKWDOSIZJI-LPHOPBHVSA-N 444.623 1.861 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1742660851 BOMOZSMVNYJRRM-UTKZUKDTSA-N 429.525 1.446 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1748229972 OIYMQSHJXAQXBL-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1748638663 TYXFUXHLGOLWHD-QGZVFWFLSA-N 444.561 1.641 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748811685 KEOPRZOMXMZNCA-GOSISDBHSA-N 428.562 1.453 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1748855663 GKPYFFSXUONYRS-HTAPYJJXSA-N 439.541 1.681 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1748956286 OMBVREUOXQKWSE-UHFFFAOYSA-N 441.557 1.963 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)CC1 1748990274 WPADBCVEZPBFAP-LJQANCHMSA-N 438.532 1.318 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749658010 KMDNUPNDYGIUAV-INIZCTEOSA-N 442.911 1.398 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1749658643 SNKUURNJLBZFTE-ZDUSSCGKSA-N 449.284 1.878 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1749671864 LQFHLWPBYORYMQ-OAHLLOKOSA-N 434.566 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1749729845 ULLNLYIMRXAVJW-HNNXBMFYSA-N 435.525 1.777 30 10 IDEE CC(=O)N1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1749809044 AYDACKOMKZTSNA-FQEVSTJZSA-N 435.532 1.996 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1750662792 DMPNWWIJBWDCFP-WIYYLYMNSA-N 429.546 1.991 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1760206120 RCOHRYKUZHFZRS-QGZVFWFLSA-N 440.525 1.809 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760359062 BHVXMXPDGMIYCT-LJQANCHMSA-N 440.504 1.273 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCSC2)CC1 1760389758 SOHMPRPFQIEISU-IAGOWNOFSA-N 441.623 1.911 30 10 IDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760436063 GSAKFVORQYYPJQ-KRWDZBQOSA-N 447.565 1.332 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760512020 XXEPGVWGJCPUCO-OAQYLSRUSA-N 425.581 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)C)CC1 1760549122 WWMSWEHGLKTMSG-UHFFFAOYSA-N 447.565 1.057 30 10 IDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)C1CC1 1766910479 GVXSCLUIGNHOFD-QGZVFWFLSA-N 437.548 1.880 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1768243317 LTSWEQOFFYPJLT-UHFFFAOYSA-N 439.563 1.122 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCOC1 1768576752 MAZBJBNWYIDHKJ-ZWKOTPCHSA-N 445.545 1.779 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@H]1O 1769449253 KXRDOSDTNKHBAE-IEBWSBKVSA-N 435.488 1.267 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1771350949 GBBUKOWMBHSPCS-XLIONFOSSA-N 433.509 1.817 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 1848697631 QCOVUSXBIAVGCR-UHFFFAOYSA-N 436.896 1.978 30 10 IDEE CC(C)[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 1849644634 DZLTUQPEWICDIR-LJQANCHMSA-N 445.520 1.744 30 10 IDEE C[C@H]1CC(=NC(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)NN1c1ccc(Cl)cn1 1852055719 ZNRSAVHDJYCZOL-KBPBESRZSA-N 429.912 1.774 30 10 IDEE NC(=NOCCC(=O)N1CCN(Cc2nncn2C2CCCC2)CC1)c1ccc(F)cc1 1853415736 PZNXTQHARGIQJM-UHFFFAOYSA-N 443.527 1.904 30 10 IDEE CN1CCN(CCON=C(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C(C)(C)C)CC1 1853559779 YFZMDVMAUIBOMO-UHFFFAOYSA-N 437.566 1.083 30 10 IDEE C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854038611 SCKJRSNKHOYZEA-CQSZACIVSA-N 431.445 1.524 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@H]2CCCCO2)CC1 1857287716 LATGJCNVDCOUTR-LJQANCHMSA-N 431.514 1.986 30 10 IDEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N=c2nn[nH][nH]2)sc2c1CCCC2 1858837236 BGDREHQEMLMNSL-UHFFFAOYSA-N 439.461 1.490 30 10 IDEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870107518 MIVKXEHCADQOEZ-UHFFFAOYSA-N 445.395 1.731 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN1CCC(O)CC1 1870434426 MTQKMKBRXNHFOX-UHFFFAOYSA-N 441.484 1.737 30 10 IDEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(Br)c1=O 2126911427 PIRXHCZSPXEIDG-STQMWFEESA-N 427.299 1.421 30 10 IDEE C#CCCN1CCC(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2204052963 QTKMDXCASBTCBP-UHFFFAOYSA-N 431.558 1.716 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2232327429 DXICSTNKUHWHGF-UHFFFAOYSA-N 446.357 1.730 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255541998 LLADLUWQVISDFA-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE Cc1ccnc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255829711 UICVHNBEYNIAKE-AWEZNQCLSA-N 435.330 1.305 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267517518 UYDFAFROJHFFSE-CABCVRRESA-N 448.329 1.169 30 10 IDEE C[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267543364 FIGIIZXBJQLSSE-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267588020 GCBYRJKFLHWMIP-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2267606291 VRMKOEQUQRWDDC-ZDUSSCGKSA-N 447.345 1.244 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)cc2F)OC1(C)C 2282325314 CSRFPWKUOLEYFQ-ZDUSSCGKSA-N 427.303 1.508 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)cc2F)OC1(C)C 2282326572 VAIVOPZMVKDTCA-INIZCTEOSA-N 427.303 1.651 30 10 IDEE O=C(CSc1n[nH]c(N/N=C/c2cccs2)n1)Nc1ccc2c(c1)C(=O)NC2=O 21079260 GMQLJOOYANPZAA-CNHKJKLMSA-N 427.471 1.927 30 10 IDEE N#Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)cc1 257183412 RIEWBOUEMXQHCR-UHFFFAOYSA-N 440.525 1.601 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430992825 LCHZAVBGMZKRKB-UHFFFAOYSA-N 447.564 1.846 30 10 IDEE N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1Br 432970881 LINJPNZNFXFVHQ-UHFFFAOYSA-N 449.330 1.965 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 438267719 BKGFGCBHXDRBSJ-UHFFFAOYSA-N 429.930 1.163 30 10 IDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 445693570 UYLIKXLVABDLRR-HZMBPMFUSA-N 426.296 1.230 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 460367872 CLAQDDBTJLRNHR-LAUBAEHRSA-N 433.578 1.995 30 10 IDEE Cc1ncc(S(=O)(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1C#N 489474846 GBSZELMOHXEBAD-UHFFFAOYSA-N 427.530 1.669 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(OCC(F)F)ccn2)CC1 540877271 NKEJBIMMDYNGHQ-UHFFFAOYSA-N 436.440 1.744 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 541145559 JLGFYZRZZVYEMC-INIZCTEOSA-N 427.770 1.862 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 555250271 IKNPUBKPBJYJNI-IBGZPJMESA-N 432.569 1.513 30 10 IDEE CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)s1 563735478 YALJIFYIYSHOTR-UONOGXRCSA-N 442.549 1.862 30 10 IDEE Cc1cc(C(F)(F)F)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O 682369958 NIRGAEYGHBAZCN-UHFFFAOYSA-N 449.454 1.595 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727417993 NAQVCIYOBOEYPN-UHFFFAOYSA-N 448.504 1.410 30 10 IDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 729332034 TYNWDQOHBCZSMF-SFHVURJKSA-N 434.539 1.157 30 10 IDEE COC[C@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730139012 PGGKTPQCYDKLEF-QAPCUYQASA-N 431.562 1.840 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 746782642 VOTIYFQNDPHRFM-UHFFFAOYSA-N 443.529 1.507 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 756920440 OEKXIIUFJHOVAZ-ZWKOTPCHSA-N 444.532 1.937 30 10 IDEE CC(C)CN(C(=O)COC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 767638434 XGSQBYGLCWBPPN-QGZVFWFLSA-N 436.530 1.931 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2cccc(N3CCOCC3)n2)[C@H](C#N)C1 776179029 FGOAQBUZVXGVPF-NVXWUHKLSA-N 430.509 1.476 30 10 IDEE CCOC(=O)c1c(NS(=O)(=O)c2c(C)nn(C)c2Cl)c(C#N)cn1CCOC 776311337 PXZRBUHLHSGPMM-UHFFFAOYSA-N 429.886 1.679 30 10 IDEE CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 778612451 YJUHBCQSNGKNEJ-SFHVURJKSA-N 427.505 1.849 30 10 IDEE C[C@H]1Cc2cc(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)ccc2N1S(C)(=O)=O 780205382 MDKVHVSYRDILMB-RNODOKPDSA-N 428.466 1.728 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)n1 790108659 AGHQGMOXIHGUNZ-UHFFFAOYSA-N 434.537 1.907 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccnn1-c1ccc(Br)cn1 790578248 ABSIWDPYSYEQTP-NXVVXOECSA-N 446.265 1.678 30 10 IDEE Cc1ccn(C[C@@](C)(O)C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(=O)c1 790693619 BILLIPNXVBOWPU-YEJXKQKISA-N 429.498 1.900 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)s1 794578264 AEGOVQLKTYNBJQ-LSDHHAIUSA-N 445.566 1.353 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1 807934269 FDUCLRPJUCWJNP-KRWDZBQOSA-N 445.549 1.023 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 816692300 LGIUZYNXSNEIOC-CYBMUJFWSA-N 436.317 1.500 30 10 IDEE O=C1[C@H](NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)CCN1O 820175404 XXHSJSNKUBFUGB-HXOBKFHXSA-N 434.452 1.272 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCC(=O)NCc2ccco2)c1 916692914 JEADUMPFYAYMQM-QJOMJCCJSA-N 433.490 1.530 30 10 IDEE C#CC[C@]1(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CCCN1C(=O)OC(C)(C)C 1147535209 LHSMJAPYENMGOQ-OAQYLSRUSA-N 430.509 1.334 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2=O)cc1Cl 1180028427 QOXYMEJDVIBWEM-UONOGXRCSA-N 426.864 1.455 30 10 IDEE Cc1ccc(-n2c(C)cc(C(=O)Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)c2C)cc1F 1189976862 BAIXXDHZPXHALR-UHFFFAOYSA-N 438.459 1.920 30 10 IDEE O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1191590786 FRJSXPJXIVRZID-UHFFFAOYSA-N 432.436 1.652 30 10 IDEE C#CCC1(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCOCC1 1195014293 MOHLSHBSZMMQNG-UHFFFAOYSA-N 426.560 1.712 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1196428966 APUDUJRYAHIHHY-RXVVDRJESA-N 435.594 1.025 30 10 IDEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)CCOCC1 1219367399 ZJEIDBCZXLWBQD-UHFFFAOYSA-N 435.546 1.964 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(F)c3)CCCCC2)CC1 1221378633 HAPDLBFHOHRRCK-UHFFFAOYSA-N 436.553 1.822 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCOC[C@@H]1OCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 1226547325 OTHCXVFRBIXCEE-MOPGFXCFSA-N 439.553 1.851 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286325548 VZCJCMVCSFNHMS-HXUWFJFHSA-N 430.597 1.966 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1286381347 GFCQAIGCSOMOER-DYESRHJHSA-N 448.545 1.587 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1286382380 RMYWZGXRDNSYEL-HNNXBMFYSA-N 439.607 1.329 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1286432052 WIJWAGFKTYVWSB-KRWDZBQOSA-N 449.577 1.558 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1 1286476410 WWFSYSHPTNDWMS-UHFFFAOYSA-N 433.560 1.683 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286712612 DVWMWYQBUCWVRL-SFHVURJKSA-N 439.520 1.329 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1286731417 MFDXXUYIQGNPTC-ZPHPHTNESA-N 425.493 1.195 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1286785762 SABQPDJYTHJOIK-GOSISDBHSA-N 425.493 1.759 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286786172 ZDMHQSHXGNYFDG-AWEZNQCLSA-N 443.533 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286818883 RKDHRSVOUAAMSE-GOSISDBHSA-N 443.533 1.252 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 1292627095 DULVMUBBLJWWJG-LBPRGKRZSA-N 435.579 1.149 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293114276 XZZGXRYBRFPUIU-CZIZESTLSA-N 440.483 1.228 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1300488864 HFMKKPOEHAEDFI-KRWDZBQOSA-N 445.936 1.517 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C 1300642490 PXXXLEPQMVRUDP-UHFFFAOYSA-N 426.496 1.771 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1301272113 BRHSFXYLPTWWGO-CQSZACIVSA-N 435.554 1.652 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 1301486402 VSDNZXBYIOITMB-AEFFLSMTSA-N 448.589 1.903 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](COc2ccccc2)C1 1301507079 WAIBPFLJFSRSQK-NRFANRHFSA-N 448.527 1.850 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)C1 1301556205 GIISKNHFTRFNEZ-MSOLQXFVSA-N 445.545 1.109 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCOC2)C1 1301566589 REAHFNFWRHRRSF-QRWLVFNGSA-N 433.534 1.202 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1301727616 HJFADHQENIOPTL-UHFFFAOYSA-N 449.563 1.903 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)Cc1ccccc1 1302310747 CZFRRFNBPQUKFS-ACRUOGEOSA-N 440.548 1.863 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2c[nH]nc2I)CC1 1302586003 HWCQINJESIAOEJ-UHFFFAOYSA-N 425.205 1.987 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOc2ccc(F)cc2)CCO1 1303003279 DSJMNICAPBWXQM-ROUUACIJSA-N 428.468 1.956 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)o1 1303873542 FAAWSQYLNVYIHD-KSSFIOAISA-N 433.486 1.565 30 10 IDEE N#Cc1cc([N+](=O)[O-])c(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1F 1306932194 RKCJMKURSREUFC-UHFFFAOYSA-N 434.453 1.564 30 10 IDEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1309419675 BSEZWEPVPMIRNJ-ODIFPOPNSA-N 427.548 1.387 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1312624596 DYPNFUJFDLYMLD-NQIIRXRSSA-N 430.530 1.269 30 10 IDEE COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1315949612 CRPLFLNBKDGQEJ-APWZRJJASA-N 425.493 1.893 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1358922748 PQVRKODYEBQKML-NRFANRHFSA-N 429.546 1.724 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358954914 AOYJAYBSYNDVAR-RBUKOAKNSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959450 JESSUYYWLOTGRP-DENIHFKCSA-N 439.541 1.604 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358966006 GHKPLZYMFKXSCM-MOPGFXCFSA-N 448.593 1.437 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)NC)CC1 1359030703 CEQZTIGRBZLAOS-UHFFFAOYSA-N 449.328 1.738 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cncn2)C1 1359086602 CEMXJQNIPZDTIE-AWEZNQCLSA-N 435.330 1.742 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1359092334 ZPCKGECGZPXKJW-SZMVWBNQSA-N 436.582 2.000 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 1359215885 LLUNJAUYNLQKOK-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359270925 GIVWIIYBZUOGIZ-SQNIBIBYSA-N 448.593 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359334790 QVJRNYJBYZQFSX-IAGOWNOFSA-N 437.566 1.149 30 10 IDEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)cc1F 1361117329 FDOGBDHKGPQOEA-OAHLLOKOSA-N 441.511 1.988 30 10 IDEE C#CCCN(CCOC)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1437997515 CNBKKWNGZMUJRJ-LJQANCHMSA-N 436.306 1.714 30 10 IDEE C[C@@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1440762741 OPGSVLXSUHCMLS-YKSBVNFPSA-N 449.511 1.764 30 10 IDEE CC1(C)Oc2ccsc2[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1O 1451180974 CNGAUYBKWYISTI-AEFFLSMTSA-N 449.554 1.956 30 10 IDEE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)cc1 1453215381 LUIAAWJNMJWEAC-NVXWUHKLSA-N 428.514 1.629 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1 1460093088 IOTGUDDBAUIZRG-UHFFFAOYSA-N 440.525 1.625 30 10 IDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCO1 1460454834 NBPIBWBYACIZSM-GOSISDBHSA-N 442.495 1.673 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)C1 1463088120 PAKKYXAUTJBARB-UHFFFAOYSA-N 438.477 1.325 30 10 IDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc(C)c1C#N 1464171982 CLOHJXTVZLWDIV-UHFFFAOYSA-N 439.497 1.904 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1470361793 WOPVZSOWUGXJRC-KRWDZBQOSA-N 439.472 1.819 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494251838 CGKPRXISTUCACB-DSGGYQJVSA-N 433.472 1.568 30 10 IDEE COCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504551729 IAPIRDAZKCVOQI-IAGOWNOFSA-N 440.552 1.831 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2ncn(C)n2)c1 1507549822 PUOYTNRLJHAOIB-UHFFFAOYSA-N 429.488 1.517 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1507618116 GNDKWBXMXVCKCT-UHFFFAOYSA-N 425.942 1.908 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N2CCOCC2)CCSC1 1507622837 NODHDDPMQPODFU-BBTUJRGHSA-N 435.594 1.279 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507624541 BFXGTEOIIXWSAH-SJORKVTESA-N 436.509 1.565 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507627579 DVMHKECMUKOZCF-HRAATJIYSA-N 432.546 1.741 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 1507633291 FNWIFBYPDLQYOI-LJQANCHMSA-N 443.573 1.655 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1507667124 KZIXEULQDKEKNA-HXUWFJFHSA-N 438.576 1.727 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCCCO)CC1 1507717956 JTKWHQNIQXFQRM-UHFFFAOYSA-N 448.365 1.862 30 10 IDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507774655 AJBWCFDWBHCYRV-UHFFFAOYSA-N 439.358 1.581 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1507778802 HFUMVSOJPPDPLJ-ZDUSSCGKSA-N 448.387 1.946 30 10 IDEE C=CCCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507958871 JKXKYUZZPZYTEF-KRWDZBQOSA-N 444.923 1.338 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507966681 AVFXMIWGSMZLEN-SFHVURJKSA-N 446.552 1.040 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(C2CC2)CC1 1507984404 VYHFIWQCASSWDY-SFHVURJKSA-N 438.598 1.108 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(N)=O)CC1 1508079365 SHDXKRWHMALSSX-UHFFFAOYSA-N 440.504 1.110 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508079690 CSPOMJZSASYGRF-LJQANCHMSA-N 432.488 1.430 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)CC(F)(F)F)nnc1[C@@]1(OCC)CCOC1 1508148216 GUAVFNVZGABVJS-OAHLLOKOSA-N 426.461 1.530 30 10 IDEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1508165323 RRSDIYYEIKYCCK-SFHVURJKSA-N 440.573 1.130 30 10 IDEE C=CCSCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508167775 LDYWMLARUZMRQO-VQIMIIECSA-N 444.623 1.861 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C#N)s2)c1 1529398514 CPMUTXLXHLFUTQ-UHFFFAOYSA-N 434.543 1.637 30 10 IDEE CN(C)S(=O)(=O)C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F 1532298133 TXKKKBHWAXCAHP-NEPJUHHUSA-N 444.476 1.512 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](CC#N)C(F)(F)F)n2C 1538122654 DVUBKIQMBHVXOO-AWEZNQCLSA-N 431.440 1.717 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1539139147 FCTYOWNZMPETBA-UHFFFAOYSA-N 436.560 1.939 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1539201914 CRPUNXJMLWFURB-HZPDHXFCSA-N 442.607 1.170 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1539204743 CQTOCLLTXJBTIB-GOSISDBHSA-N 430.534 1.355 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccccc2F)CC1 1539427607 DVLCVSRABPESMK-GOSISDBHSA-N 440.523 1.876 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539512918 HFFUMCHTGXRXTA-RBUKOAKNSA-N 445.637 1.200 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1539803169 GBFUFPSQJHPBEG-XHSDSOJGSA-N 445.973 1.369 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)NC 1540121892 OHMRUSGBSYQJIW-UHFFFAOYSA-N 438.517 1.349 30 10 IDEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1540189190 KPSBDCQKOMQMST-UHFFFAOYSA-N 431.628 1.593 30 10 IDEE CCN1CCN(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1540779393 OLYJGBIVJXZTAQ-UHFFFAOYSA-N 434.382 1.901 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1540876600 WHLJLINFBVXXDB-GCJKJVERSA-N 443.552 1.579 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cncn2)C1 1540902617 NBGNNHKLJSJGMQ-IAGOWNOFSA-N 435.554 1.206 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C 1555584216 CSPAHDHAYMOKGA-UZUQRXQVSA-N 437.548 1.452 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1555750594 HAWRABYLMQHRNV-LPHOPBHVSA-N 428.493 1.574 30 10 IDEE Cc1onc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)c1C#N 1557420402 OPXZWSDKICLDEP-SWLSCSKDSA-N 444.410 1.777 30 10 IDEE C#CCN1CCC(NC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 1558422450 DTJUEDRAJSGSEX-UHFFFAOYSA-N 426.521 1.624 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1583888975 MUECKZLTNOECCV-INIZCTEOSA-N 433.486 1.680 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1588064283 FKCQBLLCXIYAJX-MOPGFXCFSA-N 446.573 1.929 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588074060 IAVLAGXOLAVDDC-QRVBRYPASA-N 449.621 1.877 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCCC1(C)C 1588109811 OHXOPRIRTGTJHE-QHCPKHFHSA-N 430.516 1.935 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2F)CC1 1588813527 YYUYCCGQZHZNAV-IBGZPJMESA-N 445.564 1.707 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588858195 ZLJGBLVDFKNECW-IEBWSBKVSA-N 430.578 1.441 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1595178801 OZHHPWVOKJAQQV-OAHLLOKOSA-N 440.570 1.545 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1595223422 UDFWAVIMOHJKNO-HXUWFJFHSA-N 438.500 1.875 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595523023 MUBZOKSVZHASIP-KRWDZBQOSA-N 428.512 1.687 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1595523628 ZPWRDRGNXPWFRJ-UHFFFAOYSA-N 449.515 1.943 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595530138 UPINHSNUYBNTIX-MRXNPFEDSA-N 434.504 1.100 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595577365 QOGISTFBICCDOX-QGZVFWFLSA-N 439.520 1.024 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C 1595602266 IKIBISGCTYGBDN-LJQANCHMSA-N 447.628 1.109 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1595871195 JITVUEPFOAEWAW-MOPGFXCFSA-N 447.653 1.753 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1611686418 GJGRKCQYPCRSQL-FLKCQLHMSA-N 440.545 1.271 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1612916453 BIHDHZZAEJBHSU-UMIVRTMYSA-N 447.499 1.958 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)N(C)C)CCOC1 1616211995 ADTZYTFAFIGYGV-NYHFZMIOSA-N 441.536 1.415 30 10 IDEE COC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1618862872 OXUAWZTXTNWGPW-WUKNDPDISA-N 430.509 1.491 30 10 IDEE COCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1619821867 JTTHGMGLQHJVFZ-VQIMIIECSA-N 440.570 1.168 30 10 IDEE CN1C(=O)CC[C@@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1627041364 QUQLFFWMRJTNDP-AEFFLSMTSA-N 426.473 1.656 30 10 IDEE N#Cc1cccc(C2(NC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CCOCC2)c1 1629646787 KCIOEDJYPBHTOW-UHFFFAOYSA-N 448.527 1.599 30 10 IDEE COC[C@@]1(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CN(C(=O)OC(C)(C)C)CCO1 1632223864 PNPIGWKYSQXQBI-XMSQKQJNSA-N 433.505 1.703 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)s1 1634327156 FSXCOXIOYADBDS-GJZGRUSLSA-N 434.605 1.569 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H]2CCN(c3nc(C)cc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1634684166 UAXNZACMRZOQRT-OPAMFIHVSA-N 429.521 1.979 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)COc2ccc(C#N)c(Br)c2)ccc1O 1635089280 WMDBIMDPTAYLBV-UHFFFAOYSA-N 440.275 1.952 30 10 IDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1636304567 PXUHXVKOKINKAK-VOTSOKGWSA-N 439.512 1.764 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ncns2)CC1 1637168633 MGBDBGYPRHWUIM-UHFFFAOYSA-N 448.574 1.486 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2c[nH]nc2I)C1 1638203678 UONBOMAYTOKYRA-WCBMZHEXSA-N 431.234 1.503 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1642451767 QPEGFTSBROKNNU-MRXNPFEDSA-N 432.587 1.623 30 10 IDEE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1ccc(C#N)cc1=O 1644092167 XWKUQZGTMJAMOT-UHFFFAOYSA-N 426.473 1.993 30 10 IDEE COC(=O)C1(NCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCOCC1 1654457912 HKPIXWKYVFRXDP-INIZCTEOSA-N 444.532 1.668 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)n1 1661769708 HIAUTKNAWPGPDI-UHFFFAOYSA-N 448.520 1.729 30 10 IDEE N#C[C@]12CN(C(=O)NCCC(=O)Nc3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1682759325 MKNGGQGVJVBYCJ-APPDUMDISA-N 445.328 1.902 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(CN4CCNC4=O)cc3)C2=O)cc1 1686341148 DHBFEEZBLGRCIU-OAQYLSRUSA-N 446.511 1.684 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1689985870 DGFGKEUAVJKXNA-HNNXBMFYSA-N 446.558 1.551 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1689994247 UYXFCUZQUUYMDT-INIZCTEOSA-N 447.586 1.445 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690010041 UHBPIEJBSCDUAC-QFIPXVFZSA-N 443.555 1.832 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1690059820 YOSBCTDXLJIHQW-AWEZNQCLSA-N 449.524 1.179 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1690095989 KWLUCVKJJODVIU-IBGZPJMESA-N 427.530 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1690148496 JHBLVNQXHAYZIN-UHFFFAOYSA-N 441.532 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccn(C)n2)CC1 1690152325 HHNGMFGUMSKWPV-UHFFFAOYSA-N 447.543 1.913 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ncnn2C(C)(C)C)CC1 1690153852 DJRYUCMUDHHBKK-QGZVFWFLSA-N 440.552 1.490 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690510697 CCHFADORGPLTED-OAHLLOKOSA-N 445.549 1.076 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCC2CC2)CC1 1690675349 XYLGOKDTDLSZOO-UHFFFAOYSA-N 427.553 1.837 30 10 IDEE C[C@H](c1ccccc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1692647031 QPLURUWOQRBXSJ-XXDKBCJSSA-N 449.515 1.953 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1693496835 IEYHUROZGKEITR-NRFANRHFSA-N 442.589 1.995 30 10 IDEE CCc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694694782 SZEKCULYPHHLFV-MRCUWXFGSA-N 436.516 1.855 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1696593411 YBNMRUHZSUAEJG-UHFFFAOYSA-N 425.537 1.190 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)cc1 1698488121 CUQWMNZJLVHGGH-YLJYHZDGSA-N 426.502 1.326 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)COC)c1 1705508107 PFHJWWMCRBUALA-QGZVFWFLSA-N 438.532 1.739 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1705598249 FMONGPINBRHGIU-KRWDZBQOSA-N 431.562 1.092 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](COC)OC)CC1 1705646488 ZJGCXYNBHTULQO-FQEVSTJZSA-N 441.532 1.581 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCOCC2)CC1 1705763748 CUAJJNWCCCKIBT-QFIPXVFZSA-N 433.553 1.724 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705871487 MGSCRJLJUUBCRD-OAQYLSRUSA-N 448.545 1.690 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705891047 WILUTMXWJHTMQW-JYJNAYRXSA-N 432.525 1.487 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705895457 HNUIYKKGLWUHAW-HOCLYGCPSA-N 446.458 1.564 30 10 IDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCOCC1 1706256715 FJJZOBMIUAQVRJ-WOJBJXKFSA-N 437.548 1.485 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1710866089 DSFGTYRBRXXKQP-FQEVSTJZSA-N 430.534 1.166 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1711147847 NQYRTQAVXLFZJP-MEUCICPISA-N 425.493 1.805 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CC1 1712705594 XWVXSNLTZAMHOA-UHFFFAOYSA-N 447.908 1.588 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1722343190 DYMPSSXIWQWASX-QHCPKHFHSA-N 425.533 1.944 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCC[C@@H]1CO 1722346190 ORYSYDRRGCUJEN-LJQANCHMSA-N 445.589 1.655 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722438286 PLSRHTYOPXPDCA-QGZVFWFLSA-N 437.470 1.292 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722452300 DFPLLJSLJLVYMU-HNNXBMFYSA-N 444.527 1.953 30 10 IDEE C=C(C)COCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1722537485 BIHRTLPHOMYQFP-QHCPKHFHSA-N 447.580 1.972 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCOC1 1722688850 MXQYGFNZXRIWIX-CYBMUJFWSA-N 437.342 1.821 30 10 IDEE Cc1nccnc1N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1725795032 WDMOIOXIKZVANN-UHFFFAOYSA-N 435.492 1.354 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726968015 XEDKHZOMZKSGIE-TUPYQCFKSA-N 429.525 1.410 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1730486018 YRTHALKNJMQBLB-GOSISDBHSA-N 429.500 1.011 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Br)n2)CCO1 1731186612 FIURQTXBWDXBEF-AWEZNQCLSA-N 446.309 1.335 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1740555334 GOHWEDJWLMHHIN-NIVDNSEKSA-N 425.518 1.618 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740626426 AVYNUDWKUZGPBK-HUUCEWRRSA-N 430.621 1.290 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1740631662 TUDFLTCKECGOLK-INIZCTEOSA-N 426.546 1.283 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740788837 YBNJCUMRSAFXSY-DLBZAZTESA-N 441.598 1.612 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(C)(=O)=O 1748039186 IBFBOBZEMUEYLU-LJQANCHMSA-N 440.529 1.778 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748823962 GHGUDEOKMBNUCA-IPMKNSEASA-N 435.594 1.631 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1749033636 KNBBRYVSLYZILN-OAHLLOKOSA-N 431.591 1.687 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1749073114 GXGWDVBYQRHKLY-OAQYLSRUSA-N 442.545 1.660 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCS1(=O)=O 1749828444 BUIMTHFPDCUWNJ-QGZVFWFLSA-N 432.550 1.982 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1750048111 MMSUEMAHBSIOHF-IBGZPJMESA-N 448.531 1.982 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1750139308 MIAHQZUWUOTFLR-DETPVDSQSA-N 434.394 1.123 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1751096958 AQTSZUZVGJIFSH-AWEZNQCLSA-N 427.538 1.769 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ncnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760183841 UKKQBEFLQORIMH-SFHVURJKSA-N 439.545 1.657 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1760201498 DXPDSOZOJMSEPW-LPHOPBHVSA-N 432.484 1.718 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)c1ccccc1 1760208997 RBMLGUXTRDPRMO-UHFFFAOYSA-N 427.530 1.353 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](F)COC 1760219115 VJXAVWBQZBJACJ-IBGZPJMESA-N 425.512 1.900 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)CC1 1760261053 GJLMTINUDONFHY-PMACEKPBSA-N 448.637 1.200 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760299577 AKYMVPMMCZLFAD-KBPBESRZSA-N 437.342 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760552086 BNLVSJIPCJRBBL-OAQYLSRUSA-N 445.545 1.271 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1761546609 BFZGOCCRNXOBFX-MRCUWXFGSA-N 446.515 1.920 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1766682761 UEEFIQUAEMVNGK-HZPDHXFCSA-N 431.474 1.366 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1766714664 APJOZSIZCXCSNN-HNNXBMFYSA-N 434.522 1.012 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1766932312 IYMYOSPVWQEYPI-SFHVURJKSA-N 432.550 1.018 30 10 IDEE CCOCCN1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1CC 1768172493 PYOPOGPAJXJMJS-NRTINQSCSA-N 431.541 1.050 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1=O 1771125695 BJXCJMITTOPMAH-GJZGRUSLSA-N 443.508 1.097 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2cn3ccsc3n2)C1=O 1854144933 ZOJXXNIZSBAWLQ-IRXDYDNUSA-N 429.546 1.565 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(CC)nn2C 1865226067 SPAOTWNUJBDALD-SFHVURJKSA-N 439.516 1.576 30 10 IDEE COCCN(CCOC)C(=O)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869929718 LGBRPMQDQUOEFD-IBGZPJMESA-N 431.514 1.588 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCN(CC)CC1 1870547709 KWUYZYRTRUQFLD-HXUWFJFHSA-N 432.565 1.188 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCC(N(C)C)CC1 1870548039 RWMGVYHGLJKWKL-OAQYLSRUSA-N 446.592 1.577 30 10 IDEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N(C)CCO)n1 1871704966 ORXXZFGTCZVJOV-UHFFFAOYSA-N 442.568 1.135 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cn4ccsc4n3)CC2)CC1 1889421895 AANSTFZATMUCBC-UHFFFAOYSA-N 429.590 1.587 30 10 IDEE C=CCn1ncc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2106092747 GRFMPUZTLRTPBX-YPMHNXCESA-N 429.315 1.832 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1cc(Br)cnc1C#N 2118087211 MMMRDGIRTOCFPC-QGZVFWFLSA-N 427.299 1.808 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243393788 YITPDQOVOSDEJF-CYBMUJFWSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243675462 WTMQJYMVMYTHQU-JTQLQIEISA-N 430.311 1.451 30 10 IDEE Cn1nc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247840325 LCFBWOOUDKBNHH-UHFFFAOYSA-N 440.737 1.722 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247905867 JYJOIMBSHALTII-NWDGAFQWSA-N 439.343 1.464 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248561872 AWATZOKCDPQENG-HNNXBMFYSA-N 432.307 1.842 30 10 IDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2255601451 GKWJFPFOMHJAAG-STQMWFEESA-N 435.334 1.725 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2255620775 ZMGOSMBMNHDZFZ-LSDHHAIUSA-N 437.346 1.664 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2255819519 BRYMLZRVYIXNIY-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256624125 USMIJCPJUAHJOY-INIZCTEOSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256671232 PIMZCGIQKKIUFD-CQSZACIVSA-N 439.293 1.734 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267112088 BLBVTJKEBIBLLT-CQSZACIVSA-N 449.361 1.586 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1CNC(=O)OC(C)(C)C 2267126602 BXPJGWJOQTUDCZ-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267177418 NFWXPEUEZSYHBO-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267519974 JIJDVZGQDKSRDA-HSZRJFAPSA-N 440.353 1.418 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267542641 VADAHNSDSIKNDM-YEJXKQKISA-N 447.345 1.244 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267590989 VVOQQXIUGRFUBR-XMMPIXPASA-N 437.349 1.748 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2267729537 MMQHNQIETCSMPV-JKSUJKDBSA-N 448.325 1.713 30 10 IDEE N#Cc1ccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2286041646 RKKHUJRYUCGPKV-KRWDZBQOSA-N 435.433 1.496 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303150352 FRAOGZQYSUVYRA-KGLIPLIRSA-N 446.375 1.619 30 10 IDEE C#Cc1cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1OC 2370300572 WVVJXVUJWDTLKW-QGZVFWFLSA-N 432.454 1.798 30 10 IDEE O=[N+]([O-])c1cccc(S(=O)(=O)/N=C2/C=C3N(CCO)CCO[C@]3(O)c3ccccc32)c1 103927356 LMSLAIDMZYDXDX-HWCXCKHPSA-N 445.453 1.140 30 10 IDEE CCCOc1c(OC)cc(/C=N/NC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 169884292 FZIIZZPCORNQAE-DEDYPNTBSA-N 425.511 1.522 30 10 IDEE Cn1cc(C[C@H](O)C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 468799960 CQGKQJRELIPQJP-MSOLQXFVSA-N 432.322 1.495 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 481516981 GFFIRVJQXKGQJY-GFCCVEGCSA-N 446.451 1.285 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O 487477800 NSFUPZWODCEFMR-CABCVRRESA-N 439.497 1.140 30 10 IDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488258472 DSIPHOPDIGVVJK-SFTDATJTSA-N 433.512 1.658 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 508857880 QAWXDMPVBHOJLV-LPHOPBHVSA-N 444.511 1.840 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 512399569 LLLJISSHGSPBOU-JOCHJYFZSA-N 425.577 1.882 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@@H]2CC(F)F)CC1 513404980 CCJNREIOOOATKD-AWEZNQCLSA-N 435.431 1.811 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)c1C 520896874 CVCITVPCMJATIC-LJQANCHMSA-N 439.581 1.981 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OCC(F)(F)F)c(OC)c2)CC1 522308318 HHYSFAOZDUUMML-UHFFFAOYSA-N 444.454 1.766 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 523498412 GWUKKEJAUMXEFA-UHFFFAOYSA-N 444.495 1.914 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccs1 524336135 CEJZPDOQINLYCM-UHFFFAOYSA-N 439.562 1.480 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(F)c(Br)c2)CC1 524518856 WVAFJBHOGUZCFW-UHFFFAOYSA-N 427.318 1.760 30 10 IDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1OC 536665770 CZAMFZROYGNVAR-UHFFFAOYSA-N 446.485 1.268 30 10 IDEE CC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nccs1 541596949 OKUOAZLIVOVZLT-INIZCTEOSA-N 433.559 1.589 30 10 IDEE COC(=O)c1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(S(C)(=O)=O)c1 546928430 BFMDWWAHPVDJSN-UHFFFAOYSA-N 443.485 1.497 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)NCC4CC4)cc3)CC2)n1 562169713 AGXXVNZBAWBXMR-UHFFFAOYSA-N 440.529 1.996 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 604199436 YGRQXIKJCAMHLJ-IMFGXOCKSA-N 442.560 1.894 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cc1F 609450132 BBJOZDLUBYSDTP-QGZVFWFLSA-N 441.528 1.662 30 10 IDEE CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 611360190 UVPZEMHEWSBHHM-UHFFFAOYSA-N 441.557 1.602 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CCN2C1=O 619853119 DKGFULYSNKGPHE-MSOLQXFVSA-N 435.488 1.468 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 727417231 AHSXWFQONHQTFX-UHFFFAOYSA-N 435.505 1.246 30 10 IDEE Cc1ccc(C(=O)NC2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)s1 732465568 HAWSOXLAIWCFBP-HTXNQAPBSA-N 431.518 1.487 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1NC(=O)c1ccccn1 732670694 UMEJQANUFOMUIU-MRXNPFEDSA-N 441.513 1.703 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732706043 CKNYFAHFAIGLOP-QINHECLXSA-N 439.516 1.073 30 10 IDEE Cc1ncc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)s1 737254243 QLTAHQCRDUZNLT-CJLVFECKSA-N 435.531 1.519 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 737305433 HWTACGLWBFLQBG-MVZUJROASA-N 442.472 1.216 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cc(Br)c2c(c1)OCCO2 746170427 GJBSDCXJMHTXRJ-VLGSPTGOSA-N 436.262 1.753 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ncccc2Cl)C1 758312269 ADUBTWHHUGPTDP-CQSZACIVSA-N 447.948 1.949 30 10 IDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1nsc(N(C)C)n1 771323552 XGMULHSXGHHVSF-FQEVSTJZSA-N 427.486 1.812 30 10 IDEE C#CCN(C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 774206643 FMKVEWQIQWRZQX-SFHVURJKSA-N 436.553 1.300 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774233511 JOEXQXWQOAPJMD-BRWVUGGUSA-N 427.567 1.902 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 780203328 BISSBPGWXBXQGJ-UYAOXDASSA-N 444.440 1.618 30 10 IDEE CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 781936527 ACNHBRCQLDNZPL-DVEDPGPFSA-N 435.525 1.944 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 788890499 LADOBHZTCKSANK-QGZVFWFLSA-N 447.561 1.686 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 789320790 GWRKDAAEFSTRKM-UHFFFAOYSA-N 440.504 1.222 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)[C@@H]1c1cncn1C 796088209 QRFQOAAUGSLRQV-DNVCBOLYSA-N 437.460 1.473 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 796843639 AGSMWYQZWNRDJZ-UHFFFAOYSA-N 427.548 1.399 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 800912778 XHXNHPGOSWTOAK-INIZCTEOSA-N 426.564 1.078 30 10 IDEE C[C@H](CC(=O)N1CCC[C@@H](c2ccnc(N)n2)C1)/N=C1/NS(=O)(=O)c2ccccc21 803235261 ZRGQQBFZIJFRPL-ZIAGYGMSSA-N 428.518 1.282 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 805786466 RKYAQCVGWNEYGP-KRWDZBQOSA-N 430.486 1.807 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 809909561 FJYVGGPGAPKEKP-CABCVRRESA-N 441.554 1.396 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=C3CC(C)(C)Oc4ccc(N)cc43)nc2)CC1 814746306 UCRCYAWDWVQAIP-UHFFFAOYSA-N 444.561 1.977 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)C1 1135874029 MQQJZDSXTCLVFL-WCCYLALTSA-N 445.564 1.196 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)C1 1138108719 SZFKPAAYTXOZFP-SJORKVTESA-N 444.488 1.245 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2c(Cl)cccc2Br)CC1 1144028546 TZYLPGJVQJCALB-UHFFFAOYSA-N 426.742 1.929 30 10 IDEE CC1(C)C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1157725958 RVBXTYATLLNGPB-GDBMZVCRSA-N 432.502 1.235 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1160234475 DBKPBUQXNXOIKQ-VBKZILBWSA-N 435.550 1.732 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)o1 1213635781 BACYJEJIDICQQY-UHFFFAOYSA-N 443.529 1.395 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 1274616162 YLRJSFOIQZRHAX-UHFFFAOYSA-N 428.493 1.963 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1286276352 WVFSHTOMSPDQLV-KGLIPLIRSA-N 434.522 1.573 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1286425456 LSYWYWAHRLAMGP-UHFFFAOYSA-N 434.544 1.581 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1286454718 ZXUBAYVWEDWSOP-SNVBAGLBSA-N 436.485 1.871 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286605928 ASUDVUXPZWSCHY-APWZRJJASA-N 438.532 1.992 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1286789698 JORZWKSPMAGGRC-UHFFFAOYSA-N 425.493 1.768 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1cccc(Br)c1 1289436893 QHOLRCFXBSLEKP-SCLBCKFNSA-N 449.330 1.954 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 1293634410 YSEBHQCSXHBXBD-HNNXBMFYSA-N 442.948 1.535 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1296947197 PNZZTYGXWJLRNI-OTQYULQBSA-N 428.533 1.761 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)ccc1F 1300233786 AUWDTPCXKKONSX-MRXNPFEDSA-N 437.415 1.431 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300356757 FKXGOWLQNGNVRT-FPOVZHCZSA-N 449.559 1.381 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1300492944 PSIIUSVDXZLSMY-HNNXBMFYSA-N 428.543 1.666 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300495034 BWCWYLFIBGFFPQ-UXHICEINSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1300502130 RCRHBBLRKDIPLM-GOSISDBHSA-N 444.586 1.876 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCC(OC)CC1 1300553536 KIUKURRXNXVMIZ-UHFFFAOYSA-N 428.581 1.769 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1300556679 LNEVGGMHSZCQQA-IRXDYDNUSA-N 447.536 1.958 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1300652662 CUCGFVYGKUAHTP-VGSWGCGISA-N 433.553 1.319 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)CC)CC1 1300691140 PJCJKRYXLKHCKB-UHFFFAOYSA-N 447.561 1.152 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2scnc2C)CC1 1300719986 YFWPQSSKPPSNDC-UHFFFAOYSA-N 438.561 1.652 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCCCC2)CC1 1301086930 PLNMSHDKKADFHK-GOSISDBHSA-N 438.598 1.253 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCCN2CCCC2)CC1 1301499951 HOOKYRLIWAOMGR-GOSISDBHSA-N 432.569 1.165 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301578197 ZLCLZFCBRRZXID-JKSUJKDBSA-N 433.534 1.695 30 10 IDEE CC(=O)N1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301698886 FGOKOIGHAKQSMC-VXPUYCOJSA-N 429.525 1.062 30 10 IDEE CC(C)(C)c1csc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)n1 1302041040 CAGUQZRMQWCGTR-ZIAGYGMSSA-N 429.550 1.955 30 10 IDEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CCO1 1304933637 COCHKZJAHQVIGC-DOTOQJQBSA-N 432.550 1.617 30 10 IDEE CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1305298489 LNNZIWCMZGEMGI-JLHGSKIFSA-N 440.552 1.710 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C[C@H]1C 1316129823 RVMSCWPAZSSGJN-NQIIRXRSSA-N 440.548 1.779 30 10 IDEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 1319235961 DTUCBWDXZHSTMZ-OAHLLOKOSA-N 436.559 1.747 30 10 IDEE C#CCN(C(=O)Nc1ccnn1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1325926011 DHUNANPFRXDVHR-MRXNPFEDSA-N 432.502 1.603 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccc(-n3cncn3)n2)c1 1354741562 SQXHCONLYIOBEE-HKOYGPOVSA-N 425.474 1.727 30 10 IDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1357657114 OAHFCSOAZSYOBP-UHFFFAOYSA-N 444.469 1.930 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358966346 NBBWZCUJWREABD-AZUAARDMSA-N 433.622 1.979 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCN1CCCS1(=O)=O 1358990137 CCZUGNLOLMMYLU-UHFFFAOYSA-N 427.530 1.452 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC1 1359018990 HPPSOAAALBJKEA-QGZVFWFLSA-N 446.577 1.669 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1 1359263282 WUUDRSCYPNRNBV-UHFFFAOYSA-N 425.518 1.848 30 10 IDEE C=CCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290271 SAFFZIWLZXDJDA-QLFBSQMISA-N 425.555 1.858 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359305873 PJEQXSPTBTWQJN-PGRDOPGGSA-N 433.553 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1359330084 GHPQIJPIMNRMPG-UHFFFAOYSA-N 432.550 1.293 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccoc1 1359560816 IPGBUJJWICSFLI-IAGOWNOFSA-N 444.492 1.957 30 10 IDEE C#CCN(CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1445465161 OYRMRBDZLCATPX-HZPDHXFCSA-N 425.526 1.997 30 10 IDEE CN1CCc2c(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cccc2C1=O 1453561640 HFWILSRLCZKEDE-UHFFFAOYSA-N 426.498 1.772 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1464025112 IPHSVMPZQRXAJT-UHFFFAOYSA-N 444.575 1.482 30 10 IDEE C[C@](CO)(Cn1cnc2ccccc21)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1472346289 HOZSORCBEXFSQZ-OAQYLSRUSA-N 441.513 1.409 30 10 IDEE CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1473505581 DWZUCMQCWBVOIC-FGZHOGPDSA-N 435.503 1.712 30 10 IDEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)s1 1498571375 DHHWYAAYWSLYLY-ZDUSSCGKSA-N 440.533 1.891 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)NC(C)C 1505079875 BSJUTUTVBPTUQO-QRFRQXIXSA-N 445.568 1.093 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1507622917 MXNBYVRXELZDSP-INIZCTEOSA-N 447.536 1.597 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1507690192 QSKRZNQVODDVQL-LJQANCHMSA-N 449.552 1.842 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1507704289 WMJZSPNKOXIRFM-IBGZPJMESA-N 449.353 1.610 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507805588 MZXMRKXLANIGBE-RBUKOAKNSA-N 444.580 1.654 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1507868027 DGECAPBDBKVEPU-KKUMJFAQSA-N 433.962 1.367 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507879636 GHDAJHWWXNEUDO-OEAGWNGGSA-N 442.520 1.613 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1508146297 WLEXUGYDSHCJBS-UHFFFAOYSA-N 430.456 1.813 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1516977144 NEQZKXABQXKNCV-UHFFFAOYSA-N 436.545 1.612 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1518381149 DWOGOIRJYRAPNH-SFHVURJKSA-N 431.518 1.507 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCN(C(C)=O)CC1 1519270582 JRTDYMVWKFKPML-SFHVURJKSA-N 447.584 1.296 30 10 IDEE COCCOC1(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1519342432 VLKRRGXXECJVDD-KRWDZBQOSA-N 430.509 1.225 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1524922615 IXNBQWFAWGDLML-ZDUSSCGKSA-N 432.889 1.679 30 10 IDEE CC(C)C(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1525283240 SIIMFFQVCITMGB-SFHVURJKSA-N 425.489 1.526 30 10 IDEE N#CCc1cccc(NC(=O)c2cc(I)ccc2-n2cnnn2)n1 1533423201 VOKGETRWZOIYFF-UHFFFAOYSA-N 431.197 1.980 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1539017002 WYPBTTAXDJHILC-LNLFQRSKSA-N 431.562 1.873 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)OCC)CC1 1539446017 OCOQCFMSHCUXHC-UHFFFAOYSA-N 449.559 1.762 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1539446313 WNYRLEOFFSILHW-UHFFFAOYSA-N 448.506 1.368 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(O)cc2)CC1 1539477193 JYLATWSDMLUFDV-IBGZPJMESA-N 436.516 1.143 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1539634285 AOLYVPZVATZXAJ-KNQAVFIVSA-N 440.548 1.540 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1540869660 TYFHIUAITDHLIA-QGZVFWFLSA-N 439.520 1.223 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540872318 KQHSEHKRZLSOBH-NRFANRHFSA-N 444.923 1.855 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H]2OC)C1 1540883622 CIGQMWRZIHFPSW-HZMVEIRTSA-N 427.571 1.485 30 10 IDEE C#CCN(C(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1542211003 HRWCCKJYHBNUPG-CHWSQXEVSA-N 427.548 1.991 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccnc1 1548174314 AJRKCUSSTODHMZ-KRWDZBQOSA-N 433.520 1.829 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555806170 AUWYZFXJGZHJDL-IBGZPJMESA-N 444.561 1.020 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 1564616133 HMBVLXVFZBNRMO-MOPGFXCFSA-N 434.562 1.165 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)s1 1570741131 DRUGLEKKBXXYKO-IBGZPJMESA-N 446.558 1.386 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C#N)nc3)CC2)o1 1586484728 GJZNSSRLIIZGPV-UHFFFAOYSA-N 446.485 1.787 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1587869905 SVQQWADJNGZHLM-UHFFFAOYSA-N 430.516 1.498 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1 1588193719 JVGCUJWJEVOGPD-LJAQVGFWSA-N 444.582 1.723 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-n3cccc3)sc3c2CCCC3)CC1 1588199061 HANGDKHRQHBSCH-UHFFFAOYSA-N 432.571 1.643 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC(F)(F)CO2)CC1 1588954280 CVCXAGVDOAMKKN-GOSISDBHSA-N 444.486 1.654 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCOC(C)(C)C2)CC1 1588968810 QJVPCCHYCJAKKA-LJQANCHMSA-N 444.580 1.206 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1589059394 FHMRDNRKQXJNRF-SQNIBIBYSA-N 432.594 1.143 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)NC 1595141648 ITPAUWIZJQKQFZ-UHFFFAOYSA-N 438.579 1.317 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCCC2=O)C1 1595561964 JIJSOAZBNDJPMZ-INIZCTEOSA-N 429.550 1.137 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)NCC(F)(F)F)CC2)nnc1C(C)(C)C 1595595834 ZYPQSEBILVCIOO-UHFFFAOYSA-N 430.475 1.773 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC(C)CC2)C1 1595721345 FBMMEDRFDGEACV-RTBURBONSA-N 437.610 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCOCC2(CCC2)C1 1595760140 KVCMPUDCURBGOC-UHFFFAOYSA-N 425.555 1.024 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cc3ccc(I)cc3)C2)c(=O)nc1O 1607498614 WIQUOIMQCPHSMB-UHFFFAOYSA-N 436.209 1.051 30 10 IDEE C[C@@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)CCO1 1617894155 BRCFHJOEXJTLIE-QGZVFWFLSA-N 442.335 1.988 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1619959319 QHTVGKPQIQFESA-BRWVUGGUSA-N 442.520 1.662 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1620142116 DKDHFABGUFGEOB-KRWDZBQOSA-N 436.476 1.107 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCCO2)CCO1 1620354503 GSTXYTJFVFCZTQ-IAGOWNOFSA-N 441.492 1.240 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1626694753 HPACCCRWECCISE-QYZOEREBSA-N 442.516 1.705 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1628849760 NTIGDEYMSSCDGQ-XHDPSFHLSA-N 439.386 1.894 30 10 IDEE CN1C[C@@H](C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)N(C(=O)OC(C)(C)C)CC1=O 1630234705 FWFFHEPIALIEOL-KRWDZBQOSA-N 438.488 1.642 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1631845118 LPGZZUOYHBJFLR-DLBZAZTESA-N 437.537 1.553 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C 1636270483 HLLXUIWIXHAHEX-HZPDHXFCSA-N 431.541 1.230 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 1638678545 LXBHBOKYEBHEKO-KEWOFRHOSA-N 435.615 1.912 30 10 IDEE N#Cc1cncnc1N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1639488820 FBGLDOPLWFYAIF-UHFFFAOYSA-N 436.335 1.707 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1643846542 VPYYLROVPFKPNV-FQEVSTJZSA-N 442.541 1.162 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1644465705 JNUDDSOLROIJFU-CYBMUJFWSA-N 431.352 1.984 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ncc(Br)cn2)s1 1646421735 PHDHHJBDDOXGLC-UHFFFAOYSA-N 431.337 1.624 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@@H](CC(N)=O)C1 1648326590 BXCURGZIVYSBSH-LBPRGKRZSA-N 426.267 1.201 30 10 IDEE Cc1cc(O)nc(N2CC[C@H](NS(=O)(=O)c3cccc(Br)c3C#N)C2)n1 1656929686 AGEXIVWKURQTBA-NSHDSACASA-N 438.307 1.682 30 10 IDEE CN1CCN(C(=O)c2ccc(CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)CC1 1666315281 BUAKFMLENGJVSU-UHFFFAOYSA-N 447.543 1.373 30 10 IDEE C#CCN(C(=O)NCCCN1CCC[C@H](C(N)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1669127042 HLHMJBPPCJCCGF-SFHVURJKSA-N 449.596 1.618 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3C)CCCCC2)CC1 1676672375 BCNNAVIAYRCJAX-UHFFFAOYSA-N 432.590 1.992 30 10 IDEE N#Cc1nc(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)ccc1Br 1679661129 CQCXATDYXCPCKO-LLVKDONJSA-N 446.327 1.326 30 10 IDEE CCn1cc(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(O)nc1=O 1687881131 KIMUYHSDSZVZQO-UHFFFAOYSA-N 433.472 1.420 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1690043639 IKPSYQHUGJMSEQ-IBGZPJMESA-N 426.565 1.582 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1690093988 PIXGPFLXRLUOHV-MRXNPFEDSA-N 427.571 1.060 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1690201223 BAOFLLZHMIESMQ-HXUWFJFHSA-N 446.602 1.711 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1690235919 GFVOJOWLYHCNIB-ULQDDVLXSA-N 441.598 1.657 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCS(=O)(=O)CC1 1690525690 ODFLSNNNRGIHLF-UHFFFAOYSA-N 445.593 1.899 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nnc2n1CCCCC2 1690609764 ZEEAUNWNQARMFK-UHFFFAOYSA-N 428.541 1.519 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)C1 1690709937 NAIFZRYZMDNYJT-QGZVFWFLSA-N 431.562 1.994 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1ccon1 1690720538 LLJLXAGMPAHXIL-UHFFFAOYSA-N 431.474 1.899 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 1692669556 SHVZJPQRPABLSR-QFBILLFUSA-N 447.547 1.919 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1695793755 FJKNWKGWNMBACZ-GOSISDBHSA-N 433.520 1.829 30 10 IDEE CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1696712684 IJYFLXLNZYVBPS-UHFFFAOYSA-N 426.506 1.182 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1697698120 HWFJULZFBRVOQA-GUDVDZBRSA-N 445.545 1.492 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)CCO1 1698490805 ILFHAZHIOYBAKR-MNOVXSKESA-N 437.323 1.776 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1705494623 CLILVLRMXDFZQH-WMZOPIPTSA-N 429.546 1.345 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCNS(C)(=O)=O)c1 1705506850 KHVVGEHTAQNDGX-UHFFFAOYSA-N 444.561 1.541 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705564786 QCXMLYIDGWUAPV-RBUKOAKNSA-N 442.589 1.841 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCC=CO2)n1 1705631369 BWIQXTRAXLGJCP-IBGZPJMESA-N 434.504 1.911 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705661527 DHCOFHNCBACHAY-NVXWUHKLSA-N 448.618 1.794 30 10 IDEE C#CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1705665164 LTCDMKNLMJBJNL-CBGDNZLLSA-N 433.578 1.544 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCNS(C)(=O)=O 1705704870 AAPDRZCYLCSIHJ-MJGOQNOKSA-N 434.566 1.231 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCNS(C)(=O)=O 1705704871 AAPDRZCYLCSIHJ-PKOBYXMFSA-N 434.566 1.231 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705791274 RRYJADDKQVXCTG-HUUCEWRRSA-N 429.525 1.304 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705791462 WPTXLPGWDRGCPK-INIZCTEOSA-N 438.598 1.692 30 10 IDEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCS(=O)(=O)C1 1705847098 FNSLQDTYGMSKPU-HXUWFJFHSA-N 436.534 1.428 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2)CC1 1705935803 DFGZCUSNZUZQRD-SFHVURJKSA-N 446.573 1.871 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1706043942 DFJRTZNWOXMOJJ-UHFFFAOYSA-N 433.520 1.839 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1706747937 DKXYANOUZOSLNN-DOTOQJQBSA-N 430.534 1.832 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709907594 VRVHNYQAKVGGOT-KRWDZBQOSA-N 428.566 1.289 30 10 IDEE CCN1CCN([C@@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CCC(C#N)CC2)CC1 1710264821 OLZORPIJPGIYIQ-OALUTQOASA-N 433.601 1.768 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCOCC2)CCOC1 1710448657 PNEBFKJMDDQITL-QFIPXVFZSA-N 432.569 1.783 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712589717 XNXWEMPPJVXICB-NVXWUHKLSA-N 449.533 1.325 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)F)cc1 1712880702 FHTUSLOPCUALBA-UHFFFAOYSA-N 429.431 1.850 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722336632 YZNAIUGPMMZVKF-NRFANRHFSA-N 441.561 1.862 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722367789 OGJXQRGCWDKCEB-OALUTQOASA-N 433.553 1.909 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722370511 NZPSWXQCFPLPEU-RBUKOAKNSA-N 437.610 1.563 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC=C)CC1 1722448553 DSAQDEKKGHXUCP-UHFFFAOYSA-N 438.507 1.276 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCc2cn[nH]c2)CC1 1722448670 FZSANZLYKZECEK-UHFFFAOYSA-N 447.543 1.809 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cnn(C)c2C)CC1 1722448727 GGVCDOOQRBLAIX-UHFFFAOYSA-N 437.573 1.986 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1722542641 FELHPQKFWVDKFT-AWEZNQCLSA-N 432.978 1.336 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722700925 ZESJSIRSNGYDNR-GOSISDBHSA-N 439.564 1.697 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1728676021 JMKFOYWTNQHIJT-QFIPXVFZSA-N 439.520 1.474 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCS(=O)(=O)C1 1730933870 WGZUAQFHNDGBNK-YVSFHVDLSA-N 425.555 1.423 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1 1740537873 IDGNENBZHFGLTF-OLZOCXBDSA-N 440.367 1.939 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OC)c(OC)c1 1740629462 NYMQRBIXPJVJEY-UHFFFAOYSA-N 425.489 1.563 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1740691528 HEJJWQIUDXJDNU-UHFFFAOYSA-N 432.532 1.416 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740715937 IBKQXGFLFZKSOP-CABCVRRESA-N 445.549 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1740957321 JQMWPUUGBIZSCN-KRWDZBQOSA-N 427.553 1.719 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740957970 FYQRHMMDMDJVCP-UHFFFAOYSA-N 440.523 1.878 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740989410 MFQMIERUOJHDDY-INIZCTEOSA-N 445.549 1.960 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCCO3)n2CCOCCS(C)(=O)=O)CC1 1741988451 QHQMLXHWJKOSBN-MRXNPFEDSA-N 425.555 1.711 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)NC(C)C)cs1 1742561141 GTCJBQOVGWSHQQ-ZDUSSCGKSA-N 425.584 1.700 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C[C@H]1N1CCOCC1 1744990459 WFKWUXUFUBGRJR-AZUAARDMSA-N 437.548 1.500 30 10 IDEE CCN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1746312619 BURDBMGHYFQSSN-MRXNPFEDSA-N 447.540 1.500 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1746459255 CHWKTIXBLZAMJR-DENIHFKCSA-N 448.575 1.819 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1748805487 SHXVSKRGYBHEEC-SJLPKXTDSA-N 448.545 1.383 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1748917262 SFBIWPPFZUJDPI-MRXNPFEDSA-N 440.533 1.205 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)cc1 1749053627 JVFOAUNYOLTLGV-JLTOFOAXSA-N 430.534 1.028 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749260289 OKMMRJKLQHKMDG-UHFFFAOYSA-N 446.939 1.879 30 10 IDEE C=CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)c1ccccc1 1749385732 UCFBGWHPQFFQKR-ZWKOTPCHSA-N 429.546 1.476 30 10 IDEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749404071 QQZSYEFQGATXAS-UHFFFAOYSA-N 439.564 1.793 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1749651139 OHSPCCZHGSNVBI-UHFFFAOYSA-N 440.548 1.604 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749669563 ISJAAIHVURWGBK-IAGOWNOFSA-N 429.525 1.972 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1750209278 RZQMEZOZAZATOC-UHFFFAOYSA-N 432.550 1.451 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1750449499 PYIIKHPBVQXMOC-UHFFFAOYSA-N 445.531 1.711 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1751005761 LKLLCLOCWRPRBR-UHFFFAOYSA-N 445.549 1.093 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1760212517 WPJKOZANLXHZTP-XMMPIXPASA-N 442.608 1.419 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1760259249 JAJTZQFYRBQZME-KEEVHDRGSA-N 427.574 1.464 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC)CC1 1760271090 LIMFFBFNOPVLNX-UHFFFAOYSA-N 444.561 1.272 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cnn(CC)c2)CC1 1760271788 LWDNLMPCKLUWGI-UHFFFAOYSA-N 432.532 1.494 30 10 IDEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1760477067 OJDVVWZGUJVNNP-HXUWFJFHSA-N 438.500 1.852 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1760503670 MVCQTMACYICMES-GOSISDBHSA-N 441.536 1.148 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760554505 FPMOWNGPBHESBU-KRWDZBQOSA-N 425.599 1.820 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1760566074 KQFSFWBYZHUBLD-QGZVFWFLSA-N 441.623 1.452 30 10 IDEE CC(C)(C)N1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760770456 GMFJEEBHOQPXLH-CZIZESTLSA-N 438.536 1.720 30 10 IDEE CC[C@@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763350396 ITXPNPYFLYQHJW-VGOFRKELSA-N 443.552 1.756 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1765726447 QYGYOZSZHOQJHV-OAHLLOKOSA-N 441.492 1.742 30 10 IDEE CCCNC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1766230197 QGBJIMXRPXSHHU-UHFFFAOYSA-N 446.519 1.245 30 10 IDEE CCN(CC1CCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1766807135 RJHYSFXDQRBOEO-LZICOFPGSA-N 427.509 1.382 30 10 IDEE CCN(CCCn1c(-c2cnccn2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1766866922 GQDZXBYPVWTFMZ-LJQANCHMSA-N 432.554 1.537 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1767214922 DVLUOHIDGACBFG-UHFFFAOYSA-N 447.547 1.280 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC(O)CC1 1767863322 FVFCPBINVCDJFE-UHFFFAOYSA-N 441.536 1.196 30 10 IDEE CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1769320317 LLISBQYFMFTTPZ-VQIMIIECSA-N 442.520 1.588 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1771359021 UDZRTSFODAPXJU-OAHLLOKOSA-N 444.517 1.216 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 1772566660 QWDLRPYLBFFLQM-QYZOEREBSA-N 443.596 1.622 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(C)C 1772660209 KKAFKELDZJNLTM-UHFFFAOYSA-N 430.538 1.614 30 10 IDEE C=CCN(C(=O)c1nnn(-c2cc(Cl)ccc2OC)c1COC)[C@@H]1CCN(C)C1=O 1850861703 DZZUZDJRMNKYQX-CQSZACIVSA-N 433.896 1.935 30 10 IDEE C=CCC[C@@H](C)C(=O)N1C[C@@H](CN2CCC(N(C3CC3)S(C)(=O)=O)CC2)CC1=O 1857447651 UGPIKOXOZLWTSV-IAGOWNOFSA-N 425.595 1.852 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@H]2CCCO2)CC1 1857467921 SOHYTWFKKGTRQN-LJQANCHMSA-N 431.514 1.986 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 1867821856 PVVXMOBKOOYHKD-SJORKVTESA-N 441.400 1.592 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC(C)C)cn1CCCN1CCCC1=O 1870509354 NCLRYJFJSLPXBW-UHFFFAOYSA-N 444.576 1.938 30 10 IDEE C=CCN=c1nc(N2CCc3ccccc3C2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632111 KFEIVHXFEMILSA-UHFFFAOYSA-N 441.495 1.845 30 10 IDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871677238 MJDVRLLOVHQGEP-UHFFFAOYSA-N 447.927 1.997 30 10 IDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871685136 XDAPREMLZWVPFC-UHFFFAOYSA-N 425.447 1.452 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1896122607 RUMCJYAJDXOHKA-ARFHVFGLSA-N 425.526 1.780 30 10 IDEE CCOC(=O)CC(C)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC=Cc1ccccc1 2040501131 XFNPFRIKDJTZPM-UHFFFAOYSA-N 438.488 1.888 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2126937421 NEHXQBOKFFDZSQ-QHCPKHFHSA-N 446.353 1.974 30 10 IDEE CCn1cc(C(=O)NCCNC(=O)OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2243389873 YCNAZMMNQWBHAK-UHFFFAOYSA-N 442.325 1.858 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243412990 XIDFBDVRZJCBEJ-CHWSQXEVSA-N 444.384 1.991 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(F)F 2248444503 ZGCYWNHTFWZEOI-SECBINFHSA-N 448.301 1.746 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2255676108 LSERNFVWOZPJHS-OAHLLOKOSA-N 437.346 1.423 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255830197 BMXMKBORAWRWFR-LLVKDONJSA-N 448.251 1.894 30 10 IDEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267222047 VQQGYJFVMQWHDZ-CQSZACIVSA-N 449.361 1.586 30 10 IDEE C[C@@H]1C[C@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2267265732 JZLPJXOWGDSYJQ-AEFFLSMTSA-N 439.369 1.849 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513731 XOHHBXZUCCOJRF-PEBXRYMYSA-N 446.357 1.767 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2267556775 YZZKTOWLFNFIPS-XHSDSOJGSA-N 448.325 1.943 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269063441 HZWHFRQWPFXHEN-INIZCTEOSA-N 441.293 1.566 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)NCc1ccc(C#N)cc1)NC(=O)OCc1ccccc1 2286021318 NZGJVQBPRVHIPF-SFHVURJKSA-N 431.470 1.446 30 10 IDEE O=S(=O)(O)c1ccc(O)c(C=NCCN=Cc2cc(S(=O)(=O)O)ccc2O)c1 2293445346 DGXBATIUPOGBES-UHFFFAOYSA-N 428.444 1.129 30 10 IDEE Cc1scc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2303622115 VTWIZNPSTVERAD-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 26477449 NKQQZMYQIVIKPU-MRXNPFEDSA-N 430.505 1.709 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)cn1 59886824 WDYXDLXDNJNGPN-ZVBGSRNCSA-N 444.521 1.511 30 10 IDEE N#CCCN1CCC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 62040742 OKIFPASZOIRZGO-HNNXBMFYSA-N 440.953 1.925 30 10 IDEE Cc1ccc(S(=O)(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 254907170 YVSDAAVFPUSOQN-IBGZPJMESA-N 431.514 1.981 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)C1=O 439786913 SNFXQOFWQPZVJD-VQIMIIECSA-N 441.532 1.426 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 443343973 QEWGOBSQNVBNFJ-UHFFFAOYSA-N 425.533 1.769 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 490799095 RLLPURAQQIXCFV-UHFFFAOYSA-N 433.310 1.844 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 499185927 YHGSIKPSNQQQGV-TZIWHRDSSA-N 449.983 1.341 30 10 IDEE CCn1nc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C)c2ccccc2c1=O 507954724 KACQTRAHNZDHAU-UHFFFAOYSA-N 441.499 1.805 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CN3CCN(Cc4ccccc4)CC3)C2=O)cc1 508137519 YKAKPCGMUBTLRZ-HSZRJFAPSA-N 431.540 1.988 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CC1 522308429 MZUBMIVAYYANMA-UHFFFAOYSA-N 425.489 1.661 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 549264823 REMZWXGAFVFFIV-LJQANCHMSA-N 427.553 1.791 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 549485846 GPWRZNCNPJBGHT-HOTGVXAUSA-N 435.488 1.583 30 10 IDEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549667651 YGPSXWCIJUVASA-UHFFFAOYSA-N 426.587 1.142 30 10 IDEE N#CCCn1ccc(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)n1 565980834 HPUICJBWJFEWGC-FIERZQDASA-N 441.491 2.215 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)C)CC1 567116197 UQGWEXNDFIEMAC-FQEVSTJZSA-N 440.548 1.871 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1-c1ccccc1C#N 570513846 ZMGKLQCMFUZXEB-UHFFFAOYSA-N 426.910 1.735 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 589112704 TZUFIWIUOIMWPW-UHFFFAOYSA-N 449.554 1.929 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 603799591 SWDMNZGOKSWMGQ-ZDUSSCGKSA-N 431.464 1.172 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 641994698 VQUMQBIQASGJTE-UHFFFAOYSA-N 432.468 1.581 30 10 IDEE C#CCN(C(=O)Cc1csc(NC(=O)Cc2cccs2)n1)[C@H]1CCS(=O)(=O)C1 729334371 NIYDESICBBECMN-AWEZNQCLSA-N 437.568 1.577 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)CC1 733150290 GVELRDLALPPNHR-UHFFFAOYSA-N 434.496 1.475 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C(C1CC1)C1CC1 734827762 IXTDGTDPHQVTRU-UHFFFAOYSA-N 447.564 1.946 30 10 IDEE CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 737197478 FBTQRJYPWMPUOI-INIZCTEOSA-N 431.924 1.958 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 742295652 LOHVZONEZZTHNF-UXHICEINSA-N 432.546 1.790 30 10 IDEE COc1ccc(COC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C#N 747006172 KRANFZVQMLJPRD-UHFFFAOYSA-N 434.470 1.996 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)c2cccc(C#N)c2)[C@@H](C)O)cc1C 748216811 HSELJSFOTUPDOK-FOIQADDNSA-N 430.482 1.629 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767156376 PLKQPKBQMWDPIR-IRXDYDNUSA-N 428.489 1.575 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 772278231 MSAGUYYTWJOSRC-MRXNPFEDSA-N 426.542 1.894 30 10 IDEE N#CC1(c2ccc(C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 777173962 XJFADIHQYAZQPN-RBUKOAKNSA-N 446.525 1.593 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)cc1C#N 787610396 AYQWRZCSUKJJNW-OAQYLSRUSA-N 436.512 1.681 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)n1 788862459 RVGVKRRXBXTEBT-KDURUIRLSA-N 440.548 1.883 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 798329130 MBBSULANYUUVAF-UHFFFAOYSA-N 442.541 1.570 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802568108 OAVMHJLYKRQCEC-QGZVFWFLSA-N 440.577 1.991 30 10 IDEE CCOCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802628600 SQNHQSVWAULCQK-QGZVFWFLSA-N 443.577 1.873 30 10 IDEE CCOC(=O)N1CCC(S(=O)(=O)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 802993456 CTAGBKWLQCJTAH-UHFFFAOYSA-N 434.474 1.931 30 10 IDEE C#CCC(CC#C)C(=O)NCc1cccnc1N1CCN(C(=O)C(CC#C)CC#C)CC1 806837364 VIKUPSGPIWPBET-UHFFFAOYSA-N 428.536 1.672 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)cc1F 813689286 IEFMIHDCDCFNEB-SWLSCSKDSA-N 441.481 1.958 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(I)cnn2C)n1 814127112 DKEVBZPRHWSZKJ-UHFFFAOYSA-N 427.246 1.143 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 814800693 IJDAXLKFPPBOJU-UHFFFAOYSA-N 425.414 1.277 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 917767596 AAOAPVVAOOCOOO-AWEZNQCLSA-N 432.571 1.129 30 10 IDEE C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 919675518 KDKOXAMGUTYCNV-RIYZIHGNSA-N 434.547 1.096 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(OC)cc3)n[nH]2)cn1 1083975925 VMTCHPROSGLIHS-UHFFFAOYSA-N 444.521 1.511 30 10 IDEE COc1ccc(C(C)=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)cc1OC 1084392022 LBVOLPZJXLUTPY-UHFFFAOYSA-N 433.538 1.524 30 10 IDEE Cn1cc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2=O)cn1 1148642728 IFSUROGOTLADAN-JXORXQGFSA-N 442.520 1.382 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1152566087 UNBUUTPCHJTLKQ-ZWKOTPCHSA-N 433.530 1.566 30 10 IDEE CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1152824457 NIVYLPIIKPLKCY-MRXNPFEDSA-N 428.482 1.990 30 10 IDEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1155806045 FOQBLTNZSCGUCM-AWEZNQCLSA-N 430.486 1.277 30 10 IDEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159490128 LOLYTHFSNAIPLN-QGZVFWFLSA-N 443.891 1.702 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1183923743 GEXUDHASGCPSSI-HOCLYGCPSA-N 431.352 1.643 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286388608 SIUZZYUPSZQLFF-GOSISDBHSA-N 429.546 1.222 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286416300 PUQJUROLQNUYPU-LJQANCHMSA-N 441.557 1.520 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)C 1286418254 FCMBOPYBCIHZMN-UHFFFAOYSA-N 425.489 1.522 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1286471340 LENYAHQDSMCWGQ-SFHVURJKSA-N 441.605 1.634 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cnnn1 1286566115 KUZXYYLJFDVBGW-UHFFFAOYSA-N 430.538 1.828 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1286788393 VTFAVYMPMBFNOR-IBGZPJMESA-N 438.532 1.984 30 10 IDEE Cc1ccc(OCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1289840602 FOCWPCHWTKWQOY-AEFFLSMTSA-N 448.549 1.395 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1291303631 XTPMUGXGDVBWGA-BQOWYSNXSA-N 443.895 1.745 30 10 IDEE C[C@H]1[C@@H](C)N(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCS1(=O)=O 1293731808 VGCCUIXHJLDMRK-JCMNDINGSA-N 425.551 1.807 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1298218581 NKJBGGSYGNCLIO-UHFFFAOYSA-N 436.520 1.861 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCN1CCCC1 1300441505 PYJUCNHAUHIQJB-UHFFFAOYSA-N 430.578 1.751 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300506732 XNBZNGKGQFWQOK-FUHWJXTLSA-N 431.518 1.208 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnn(C)n1 1300569209 GGXQILPNBCBTAQ-UHFFFAOYSA-N 443.284 1.881 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCC[C@H](C)C2)CC1 1300726928 UHPWLDJPFRFOMO-ICSRJNTNSA-N 428.581 1.480 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1301263796 NIMRPIWYAXWPBP-WMZOPIPTSA-N 437.504 1.668 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1301509248 DKFXETHTBYSRIL-UHFFFAOYSA-N 446.559 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301588788 JLGSREIPJAYXCU-HKUYNNGSSA-N 448.593 1.923 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](CC)C1 1301596658 VHTWJWZWIDURKM-FJIDUMEYSA-N 442.582 1.607 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCC[C@@H](O)C1 1301806339 CSCNHRAUDFADDS-HZPDHXFCSA-N 430.509 1.923 30 10 IDEE N#C[C@@]12CN(C(=O)c3nn(-c4ccccc4C(F)(F)F)cc3O)C[C@H]1CS(=O)(=O)C2 1304002863 ZYXHDFCEKZVUTB-GTNSWQLSSA-N 440.403 1.607 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CC1 1316207177 ZVRLPAILXPAGNC-INIZCTEOSA-N 427.509 1.120 30 10 IDEE COCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316265801 CHAOEGBJPWEAOZ-KRWDZBQOSA-N 446.502 1.987 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1316296941 DUCAOQKSKMZOOH-TUXJCPBXSA-N 445.495 1.778 30 10 IDEE COC(=O)c1ncoc1CCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1355743231 DRYFOIIPVVAWPA-JWGURIENSA-N 434.474 1.845 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1358946206 MUFNJSRIIFXYHA-UHFFFAOYSA-N 442.545 1.740 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358960743 KVIYHAAEGONQNJ-ZWKOTPCHSA-N 430.578 1.395 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1358969223 JMJGPUXDXCOPLG-MRXNPFEDSA-N 433.509 1.521 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1358986206 QEKMWQBHXNRSSQ-NRFANRHFSA-N 434.562 1.218 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)CC1 1359028292 NJUNQBGWNKWVAK-UHFFFAOYSA-N 427.597 1.391 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359048232 JLVIIUDCTSNIRM-OAQYLSRUSA-N 443.577 1.366 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359132253 RMJMOXZTRPXBRC-RTBURBONSA-N 443.552 1.541 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1359347301 IKXQRGSKTCGFPP-HOTGVXAUSA-N 445.611 1.003 30 10 IDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1OCc1cscn1 1439798101 RTQLERAZPUOYSL-IFXJQAMLSA-N 433.511 1.741 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CCC3)ccc2c1=O 1451612035 CFPYKTITGHDCTD-QGZVFWFLSA-N 433.555 1.911 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)CNC(=O)c3ccc(C#N)cc3)O2)C1 1453617707 NJCXTYIOFOGLRU-KRWDZBQOSA-N 428.489 1.573 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)n1C1CC1 1459216462 BBFNSKKYRWNQSL-UHFFFAOYSA-N 427.892 1.527 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 1466343720 STFLUBUIDQWXIL-UHFFFAOYSA-N 431.396 1.074 30 10 IDEE CCO/C=C/[C@@](O)(CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(F)(F)F 1468476869 AYZSHXBXAGKRHV-YXMGTMDOSA-N 435.424 1.370 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1470285039 FLAOSXCULSURNP-CYBMUJFWSA-N 427.548 1.587 30 10 IDEE COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1471259572 NHIRGKZVFMAQAF-GFCCVEGCSA-N 441.263 1.017 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)C1 1471335621 FSCWUDTYRYSOIP-PMACEKPBSA-N 430.574 1.651 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 1471450689 HAYDSPZUFRPBHK-GOSISDBHSA-N 433.578 1.105 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)c1C#N 1479070728 GJTJEUZOMQZNMR-UHFFFAOYSA-N 432.532 1.972 30 10 IDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507571598 HEAWQGJOBHQXRP-HMXCVIKNSA-N 428.581 1.922 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1507590889 FYIGQCYGNKVUCJ-IBGZPJMESA-N 441.580 1.214 30 10 IDEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507786574 YBCOTYQBMNMZDL-UHFFFAOYSA-N 439.358 1.627 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507863082 BGZITVYCZMMWQQ-OAHLLOKOSA-N 428.880 1.714 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1508022592 ZOMLXYVAMOQZBW-KRWDZBQOSA-N 439.545 1.988 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1508118187 QFMUATXYXVNYCT-UYAOXDASSA-N 441.580 1.997 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1508125995 QDNMVIWHXPVXHG-ZWKOTPCHSA-N 447.561 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H]1CC 1508145277 LFHBHFIKIUNFIY-BZUAXINKSA-N 430.596 1.406 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508851350 GCBQFRVSBXCNGK-LYHRCORUSA-N 438.532 1.851 30 10 IDEE C=CC(C)(C)CNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1525858563 CJUWRSYXYLGGKC-UHFFFAOYSA-N 439.516 1.383 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1539212644 WTAXNXAFPKMBHH-INIZCTEOSA-N 442.570 1.974 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539225319 MUWGHINRDHZAJX-YLJYHZDGSA-N 442.589 1.373 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCCCC2)CC1 1539428375 QQJJWSSEFWQTKA-UHFFFAOYSA-N 429.613 1.828 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1539533774 URPQBKSTORTQLV-BRWVUGGUSA-N 435.594 1.514 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1540034118 WUWKFZYFIHLIRN-LJQANCHMSA-N 426.521 1.854 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1540861827 ICARBPDOYINELD-CQSZACIVSA-N 444.458 1.364 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1540901168 VEQOLOGWPKYNFD-CQSZACIVSA-N 435.481 1.326 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1540922740 WXWYTOGPWLRCCJ-PMACEKPBSA-N 437.566 1.880 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)cc1 1542446205 COEMTCWHVOQQBY-KRWDZBQOSA-N 432.550 1.939 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1CCOC1 1545921462 UXWAFURVUMAYLF-QFBILLFUSA-N 429.569 1.800 30 10 IDEE COC[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555372830 LDVCIKWVTDNUEG-ZBBYCGENSA-N 442.545 1.930 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1CC1 1555662600 OYCDFEGUKQQTCV-MRXNPFEDSA-N 428.541 1.652 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1 1555989295 FVNONLACDHMXNA-SFHVURJKSA-N 426.502 1.370 30 10 IDEE C#CC[C@H](COC)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1562135607 VLMUELCBCXDQRS-HXUWFJFHSA-N 436.516 1.528 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)s1 1566300506 SFWXZAADGYGXHT-GDBMZVCRSA-N 440.543 1.699 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1587707214 XXNWNMFHYRHTPE-CYBMUJFWSA-N 427.962 1.715 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1588045758 QFBPIKVIJOHWMX-IBGZPJMESA-N 435.513 1.409 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1588261959 AVNOETTYBNAOMB-KRWDZBQOSA-N 437.504 1.595 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588638303 RLWCTCJLVALDRK-BZSNNMDCSA-N 432.569 1.203 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588763310 UDNXTDBKELGPAI-FQEVSTJZSA-N 436.560 1.967 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1588929760 GANMOMHCOZKUOH-MBOZVWFJSA-N 429.565 1.951 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)C(C)(C)C)CC1 1588961762 LMCGFSUFDXHEOL-GOSISDBHSA-N 444.580 1.427 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1595297530 SCBSVDYUKXQTOP-QFIPXVFZSA-N 437.504 1.711 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595555525 BHGHCGMEVOJPSA-LJQANCHMSA-N 435.532 1.356 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)C1 1595729677 NUMBBXRXIITMLD-CRAIPNDOSA-N 449.533 1.121 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@]4(CCSC4)C3)CC2)cc1 1598447627 IQLVAUHJMYTOQI-FQEVSTJZSA-N 435.571 1.693 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1611286083 CYUSNSHLPDUANQ-RDJZCZTQSA-N 441.511 1.736 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCC[C@@H]1C 1611676738 BZJOETRJXZAOBJ-IRXDYDNUSA-N 437.614 1.893 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CC1 1615938287 CUGANTHKUQWYFI-UHFFFAOYSA-N 448.531 1.728 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 1618373662 FUKFPZFRIJFSJP-OALUTQOASA-N 437.585 1.294 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1619878094 AEVUKNQCYXEIHA-QZTJIDSGSA-N 426.477 1.509 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCCN1CCO 1624698032 NSMSFVJKBYHGCR-WMZOPIPTSA-N 436.578 1.247 30 10 IDEE C=CCNC(=O)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1625182290 HOKOQXUOXFHBEG-UHFFFAOYSA-N 448.501 1.928 30 10 IDEE C=CCN(C)CCN(CC)C(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1626750587 CDLXRKCQOSRDKF-UHFFFAOYSA-N 431.599 1.767 30 10 IDEE CO[C@]1(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCS(=O)(=O)C1 1627108229 LBZFNIPCABSXNY-KHQFGBGNSA-N 445.328 1.820 30 10 IDEE C#CC[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1629617381 NVQHAJZEMYMJGR-QKKBWIMNSA-N 440.493 1.015 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1631359320 RRTANMKPAMEXHH-CYBMUJFWSA-N 431.436 1.129 30 10 IDEE Cn1cc(Br)c(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1634918500 IMOSBAHDBWKIIN-OAHLLOKOSA-N 431.294 1.655 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n[nH]2)C1 1635696679 AFFCWGAKZPHACJ-CKNLXJGOSA-N 449.533 1.144 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C(=O)C1 1638906574 WYFMFRJPRQCJEH-KRWDZBQOSA-N 442.520 1.435 30 10 IDEE C[C@H](CC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1640270799 BOGIQNQWBWSARL-CZUORRHYSA-N 426.498 1.208 30 10 IDEE COCc1nnc2n1CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2 1640896303 YIFFIURTTODLET-FAGJFJLWSA-N 430.509 1.554 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1Cl 1643572477 FYRVYMHXNGYPPX-LJQANCHMSA-N 425.938 1.785 30 10 IDEE N#Cc1cn(CCC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)c(=O)nc1O 1644408550 KKXBTLIHOYEFAK-AWEZNQCLSA-N 446.261 1.043 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@@H]2CO)CC1 1647757211 JIARFRLXWYUKCH-RTBURBONSA-N 432.590 1.710 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)C2)c1 1647933519 YZNLVXVGXHXKNX-QUCCMNQESA-N 444.488 1.144 30 10 IDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1659364851 VGWOWGOUYAFRDI-QZTJIDSGSA-N 428.499 1.419 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O 1664903907 NESRMLJUEJDLJM-UHFFFAOYSA-N 435.951 1.850 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OC 1666159706 XDNXSFLJPXDGED-LBPRGKRZSA-N 437.287 1.863 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1672281735 GWTGNBSZAWKEJT-PBHICJAKSA-N 426.495 1.496 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1685646172 MKPKSKBWYBCLDO-UHFFFAOYSA-N 430.530 1.996 30 10 IDEE C[C@]1(C2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1686084089 HNJNBMMDELELOV-XMSQKQJNSA-N 425.489 1.974 30 10 IDEE O=C(NCC#CCO)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1687392196 BOSWWMRIJOGZPF-INIZCTEOSA-N 427.286 1.551 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1689831201 HAFYAZWNTVNGJR-KKSFZXQISA-N 447.561 1.278 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1689851482 RLYQDYFTXXIPHH-MAUKXSAKSA-N 429.546 1.436 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689982659 RQCJVFPWXSIRDM-AVRDEDQJSA-N 446.573 1.987 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689989935 JZADOVDSUBBYAW-BZUAXINKSA-N 442.632 1.257 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689997013 UIJAAYSCZBPZKV-KRWDZBQOSA-N 435.594 1.854 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N2CCOCC2)CC1 1690009597 CLGVAQLFYZYUKJ-UHFFFAOYSA-N 435.528 1.900 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690056173 IKOFFRKUYLYPGW-IAGOWNOFSA-N 425.455 1.856 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N(C)CC)CC1 1690111522 DCJKTJQZJONKSD-KRWDZBQOSA-N 428.512 1.791 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)CC1 1690411478 NBVJGUXVNRHBQB-GOSISDBHSA-N 429.546 1.730 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1690464664 IDNOFIDDARIGCN-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690512056 KZNSYQIYRJHFAH-LAUBAEHRSA-N 435.525 1.552 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1690671095 OWZWFXQGLGEAIA-GUDVDZBRSA-N 446.596 1.996 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1691431284 PPOQAZNMCWOGCM-VXPUYCOJSA-N 441.536 1.062 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1692498657 BOSVCHFMDHLTMJ-UHFFFAOYSA-N 447.565 1.252 30 10 IDEE CCCN(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1695292250 KBWCXHJSNCHQBR-CVEARBPZSA-N 449.581 1.569 30 10 IDEE CCNC(=O)C1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1695923603 HJOONSKUPHTUOV-JTSKRJEESA-N 446.552 1.354 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2ccnc2C)CCO1 1697910476 HLQOCXITNKXDSA-FQEVSTJZSA-N 437.504 1.786 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1705501634 LHWOTAKNLDFODF-AWEZNQCLSA-N 425.942 1.908 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705566008 LFWHIJZTXQFNJW-RXVVDRJESA-N 448.593 1.493 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705567192 VQXAXKLIMFGWEP-QGZVFWFLSA-N 444.561 1.569 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705568242 JQRUBWKFWAKTNK-SJORKVTESA-N 435.550 1.337 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1705618666 PPICRXIQQFRGJR-HNNXBMFYSA-N 440.570 1.359 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2cnn(C)c2)n1 1705632329 ZZPKCECPPUUOFE-UHFFFAOYSA-N 431.504 1.605 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC)CC1 1705705440 HTLINXYYHSUWMI-QUCCMNQESA-N 425.537 1.707 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1705717633 ODJDEPZGWDNYBN-VQIMIIECSA-N 429.587 1.420 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)C1 1705904593 SUXDYLFRJUEHSA-JKSUJKDBSA-N 434.541 1.735 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C(=O)OC)C1 1705908700 UFXXEMGUKUCOJS-QGZVFWFLSA-N 427.505 1.721 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705945773 RMSLCWRKDMTABS-IAGOWNOFSA-N 441.623 1.706 30 10 IDEE Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)n(C)n1 1707803600 AFULFBDSLNFFIM-UHFFFAOYSA-N 448.535 1.100 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCOC1 1711045628 IFCIDBFAOQRTLN-IEBWSBKVSA-N 445.545 1.921 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1722369654 DGYDSGCIWFDQPI-ZRSRNVLSSA-N 436.578 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722398736 BWPSJGKBCLKMBU-SFHVURJKSA-N 426.546 1.008 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1722434347 PQOPKDWBHGLMJZ-UHFFFAOYSA-N 433.560 1.683 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCC2)CC1 1722446753 AJYBJKPSRNDKHX-QGZVFWFLSA-N 433.578 1.336 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1722678789 DOFKCILWXGZJCU-UHFFFAOYSA-N 436.318 1.257 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722700383 GWXVOSQSJRCNDD-UXHICEINSA-N 439.564 1.113 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NC2CCCCC2)C1 1722720244 IZEPIHHNVONHPP-SFHVURJKSA-N 430.553 1.631 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C1CCC1 1722727720 KUHYUKIWRUFPSR-IAGOWNOFSA-N 442.607 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722729243 YVFQTTWQFDMZHM-SJORKVTESA-N 439.582 1.076 30 10 IDEE CC(=O)N1CCN(CCn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1722798800 HPRMNRKDNSNEOG-GCJKJVERSA-N 447.584 1.079 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1724018470 SALXFSXSINDCFY-IRXDYDNUSA-N 428.468 1.640 30 10 IDEE CC1(C)C[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1724018840 BUISDMWZCWLOQR-GLJUWKHASA-N 426.518 1.099 30 10 IDEE C[C@@H]1OCC[C@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CC(=O)N(C)C)CCO2 1726765453 GQABUVQNDQEYBG-AOMKIAJQSA-N 440.504 1.201 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1730762545 GHYSJTHAIXISNG-CABCVRRESA-N 443.474 1.480 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1740573988 ILZRLHDZEZINKQ-LJQANCHMSA-N 447.561 1.757 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1740610419 ZVTLUMGBTGCMJY-JKSUJKDBSA-N 425.555 1.410 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1740622877 KFGNSQZLSARWMK-DYESRHJHSA-N 447.561 1.063 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)n1 1740689407 VMPSVJAGDZJICX-MBSDFSHPSA-N 444.580 1.889 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1740689449 AGKJHRYLCHIOAN-UXHICEINSA-N 429.613 1.490 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC(C)C)CC1 1740695977 IJGAVXQMLLZGBO-HXUWFJFHSA-N 438.532 1.461 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740699164 WPQMPFABIJECMX-NRFANRHFSA-N 427.641 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NCC=C)CC1 1740702156 XBOOUMLWNUHIST-UHFFFAOYSA-N 434.544 1.776 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@@H]1CCCO1 1740752268 VCOFVTRWMQHWKZ-BDXSIMOUSA-N 441.598 1.875 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1740774641 XCNOHVLKBGBROK-APWZRJJASA-N 427.571 1.174 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740997533 WDJNZHVDQLAPRL-HXUWFJFHSA-N 449.602 1.970 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1743950024 CIDWQCNCALMZBF-QXAKKESOSA-N 429.546 1.983 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1748719408 XFCGBOZRNZMRGS-KRWDZBQOSA-N 443.577 1.855 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1748851862 QBLFKKWIBONYQJ-UHFFFAOYSA-N 448.571 1.309 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1748891767 FSCAMGZBWPHZRQ-XLIONFOSSA-N 440.525 1.688 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)Cc1ccccc1 1748907703 ZIFAGCKFOKZZHE-UHFFFAOYSA-N 429.546 1.589 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1748912764 IGUCQUKJPRNPHZ-QHCPKHFHSA-N 440.548 1.670 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOCc2ccc(OC)cc2)CC1 1748971106 CVOLUSXBDXHADF-UHFFFAOYSA-N 440.548 1.397 30 10 IDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1748992932 KOYZIEYMWZSNTH-QYZOEREBSA-N 444.580 1.620 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749131821 WCHGVHMEVMGYJK-APWZRJJASA-N 425.599 1.976 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1749285391 ICXWLBWITPNAEV-LJQANCHMSA-N 443.596 1.613 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1749660560 UEFMZETUBGFCHD-XLIONFOSSA-N 435.532 1.276 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCc2ccccc21 1749669438 KUUZBHIKSDOKLH-WMZOPIPTSA-N 429.546 1.606 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749725427 UIDUFVKOHDUWOC-CVEARBPZSA-N 433.534 1.410 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1751278539 ICCIWUYBIHHSIE-ZIAGYGMSSA-N 429.493 1.734 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCOCC2)cc1C 1751543947 AQGPICNCYDIYDT-GOSISDBHSA-N 440.504 1.418 30 10 IDEE C#CCN(c1nnc(C)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760180423 FDEDEZTUMOPNQJ-LJQANCHMSA-N 429.546 1.158 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760183415 OWKBJIIVLVFZMG-UYAOXDASSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760191135 BGLHRXRFVKYFIF-RTBURBONSA-N 434.537 1.675 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1760233082 QMICDBYABONEDJ-UHFFFAOYSA-N 426.546 1.767 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](COC)OC 1760292758 IAFXBXXCBABHQE-IIBYNOLFSA-N 446.577 1.892 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@H]1C 1760464465 IBRYKVMWJSFPHK-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1)C1CC1 1760476643 BBEGDJLUBCEYPY-BQFCYCMXSA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760523851 JHRGDMPLDLXNQP-UHFFFAOYSA-N 428.541 1.642 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1)N1CCOCC1 1761395722 GUIDILYHWDFREI-PKOBYXMFSA-N 437.548 1.629 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1766861244 DUCLPSLXQITUQY-SFHVURJKSA-N 435.532 1.790 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1766889430 ARWNFSJGAWKYNV-UHFFFAOYSA-N 430.516 1.550 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1767287095 BLQDUBVURWNKLY-UHFFFAOYSA-N 426.431 1.667 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H]1F 1770645949 VYQMSQWXMMFJJW-PBHICJAKSA-N 436.513 1.414 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCOCC(F)F)cc1 1771534547 FXBOEIMFHIQDAG-UHFFFAOYSA-N 434.447 1.727 30 10 IDEE C=CC[C@H](CO)CNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772556546 NMRZEWUBXAQCIL-LSDHHAIUSA-N 438.491 1.954 30 10 IDEE C=CCN1C[C@H](C(=O)N=c2[nH][nH]c3nc(C)c(I)c(C)c23)CC1=O 1850119992 PNULTJDVUGQKTO-SNVBAGLBSA-N 439.257 1.574 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4c(c3)c(C#N)cn4C)CC2)cc1 1852150496 FCYGECPBNSYKHR-UHFFFAOYSA-N 439.497 1.600 30 10 IDEE CCc1ccc(N2C[C@H](C(=N)NOCCC(=O)N3CCN(CCC#N)CC3)CC2=O)cc1 1853562883 HWJCJASSNSEONK-LJQANCHMSA-N 440.548 1.548 30 10 IDEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)c1 1854129110 AJZIZGNIPVKVSH-KRWDZBQOSA-N 425.510 1.999 30 10 IDEE N#CCC(=O)N1C[C@H](C2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)CC1=O 1855469775 LQKBZJDXMQAVMD-OAHLLOKOSA-N 427.896 1.816 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)cc1 1858300671 MULBCOWDULAGNC-GOSISDBHSA-N 426.498 1.453 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 1858339598 XHMDPKZPAIZOMP-GOSISDBHSA-N 431.539 1.788 30 10 IDEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861514457 CMHSYFVYPNPTOP-NRFANRHFSA-N 449.507 1.962 30 10 IDEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCO)cc1 1862607926 BCABPFIAMGNTCU-GOSISDBHSA-N 425.393 1.727 30 10 IDEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1C[C@@H](C)O 1870349139 BKMSNNQJLQXPBQ-GOSISDBHSA-N 429.517 1.775 30 10 IDEE COc1ccc(NC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(OC)c1 1889548952 NNSIQWYROCFTNT-UHFFFAOYSA-N 430.549 1.968 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)NCc3ccc4c(c3)OCO4)CC2)CC1 1890264720 HMALSQZAQFKFMK-UHFFFAOYSA-N 428.533 1.357 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2011939633 OYJJPIIQVRESTI-CVDCTZTESA-N 428.533 1.985 30 10 IDEE CN1C[C@@H](C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2060633043 JBZQTTUAQWJKGI-HNNXBMFYSA-N 437.346 1.615 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C(=O)C1 2124537523 ZAASAFGARRCACC-JLVBRIDZSA-N 449.357 1.616 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247812496 PYQAYXUDVZMSOQ-FQEVSTJZSA-N 426.294 1.713 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416482 STHUONBMUAERMU-NEPJUHHUSA-N 438.359 1.749 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(F)F 2248444504 ZGCYWNHTFWZEOI-VIFPVBQESA-N 448.301 1.746 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255599400 AFFAFTOTOCMTAG-UHFFFAOYSA-N 432.326 1.697 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255821073 DELGUUSUWMVRBI-ZDUSSCGKSA-N 436.318 1.308 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2255873790 ODMQANZTVWPNST-UHFFFAOYSA-N 435.330 1.036 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067996 VWMYCABSVOZFGX-CQSZACIVSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(C)(C)O 2256679746 YZZXHNQYOCXMIJ-HNNXBMFYSA-N 435.330 1.984 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929817 WNBGWYPCVHZTHJ-CJNGLKHVSA-N 429.282 1.497 30 10 IDEE Cc1cnc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267572159 ROQWKMFTPPFQOX-QFIPXVFZSA-N 449.357 1.695 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2269022369 PJZOJRXNNGEEOI-UHFFFAOYSA-N 441.293 1.453 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2269835553 SKLPZBYWNNCKDC-HNNXBMFYSA-N 449.357 1.729 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NC1(C#N)CCCCC1 11399955 ZTDYHDVYYMYENW-UHFFFAOYSA-N 449.529 1.515 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 105287051 CVVVWMPKLHFFOI-FQEVSTJZSA-N 439.541 1.845 30 10 IDEE CCOC(=O)c1c(NC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c(C#N)cn1CCOC 432419387 BJLKBNUQBBEVBE-YCRPNKLZSA-N 448.476 1.226 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1cccc(C)c1C 441191900 UVNOHWDNUWGMLO-QCFAMHMHSA-N 427.501 1.975 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 447679908 MHYGNYAFOZXMME-UHFFFAOYSA-N 431.500 1.633 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 492782306 GJXKYGBTXLXOES-RBUKOAKNSA-N 429.565 1.863 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccc(F)cc2)c1=O 502053955 BEJFARUPFAXADR-UHFFFAOYSA-N 437.500 1.333 30 10 IDEE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 502189152 XAKBFCZOMLLIRS-CQSZACIVSA-N 426.477 1.054 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 504075489 YURLLYNZYMMJDQ-QFIPXVFZSA-N 428.489 1.136 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H](CO)c2ccc(Cl)cc2)CC1 505121631 WRIISMRPLWXQMO-GOSISDBHSA-N 433.917 1.821 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)NCc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506597200 VDHXXSIYRQYMJY-OAQYLSRUSA-N 449.559 1.030 30 10 IDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCN(c2ncccc2C#N)CC1 514527791 CWGCOWICDHJHHD-UHFFFAOYSA-N 438.513 1.196 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)cc2C1=O 519405146 DIQYIWMQVYQURB-UHFFFAOYSA-N 432.480 1.547 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)cc1 535985719 BIGWFFPQFXOPLZ-YOFSQIOKSA-N 432.590 1.534 30 10 IDEE CN1CCCC[C@H]1CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540548696 GBXYLOMTZXARJK-LEWJYISDSA-N 444.649 1.559 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)cc2OC)c1=O 540984849 TWLFSIOIFZYJGP-UHFFFAOYSA-N 436.331 1.340 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N 553544610 KEKBUHWIJRRQHO-VHSXEESVSA-N 432.296 1.055 30 10 IDEE N#CCN1CCC(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC1 589400099 FUMDOECICRNRKB-VXAPCQRLSA-N 444.535 1.570 30 10 IDEE COc1nc(=NCc2ccc(C#N)c(OC)c2)[nH]c(=NCc2ccc(C#N)c(OC)c2)[nH]1 589604274 OJXIWSXUBXFHSD-UHFFFAOYSA-N 431.456 1.709 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1 619098293 LDAGHQWBVJWWQZ-UHFFFAOYSA-N 426.498 1.258 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCc2c(C)nn(C)c2C)C1=O 726115470 QBAIWEZJRGPACK-GOTYSUTNSA-N 428.562 1.653 30 10 IDEE CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1F 732651139 XLBCFWPIBSHFKE-GFCCVEGCSA-N 430.299 1.804 30 10 IDEE CC(C)c1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2cnn(C(C)C)c2n1 732907731 CGBOXVXNLIZFRZ-HNNXBMFYSA-N 431.518 1.715 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cn1 735069576 WWBTUMJRUCRUAG-QGZVFWFLSA-N 426.542 1.568 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc(-c3ccccc3)[nH]2)CC1 741459656 DUFIWHPALFHYMQ-UHFFFAOYSA-N 425.518 1.854 30 10 IDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)[C@H]1CCS(=O)(=O)C1 741674551 GVSOUDXHTUAPHJ-ROUUACIJSA-N 449.598 1.587 30 10 IDEE C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 751727939 BWEBQKGKRSBNGM-CQSZACIVSA-N 446.485 1.102 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2C)nn1 757590073 HZHTZHCEWZYWCZ-GOEBONIOSA-N 441.492 1.858 30 10 IDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC)c1 761274593 STTLPIDNURKYSQ-INIZCTEOSA-N 442.563 1.208 30 10 IDEE CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 765969021 NGGDVOBNGUJUSJ-DOTOQJQBSA-N 435.546 1.942 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C)c1cc[nH]n1 772339008 MPBYKMPINDVCIZ-QGZVFWFLSA-N 427.505 1.817 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)ccc1F 772480982 IMAJGDXZIGNPMI-QGZVFWFLSA-N 436.509 1.854 30 10 IDEE C#CCN(C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 774047270 FRDPAPKJAROHNV-AWEZNQCLSA-N 429.495 1.020 30 10 IDEE CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C(F)F 776042619 RYPDEQKOKUCFMN-CYBMUJFWSA-N 426.445 1.165 30 10 IDEE C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790280484 CRCKCBXTXNQKOD-LJQANCHMSA-N 430.571 1.283 30 10 IDEE CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1ccc2nc(O)oc2c1 794910070 WFMAPOLHPXWGHT-UHFFFAOYSA-N 430.490 1.701 30 10 IDEE CCCn1c(COC(=O)[C@H](C)n2cnc(C#N)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 798745623 UNOYDRPFUGEASI-ZDUSSCGKSA-N 445.505 1.464 30 10 IDEE C[C@]1(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCC(=O)NC1 798777111 DVNNJROLECJTAE-WNSKOXEYSA-N 442.516 1.816 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(CC(F)(F)F)C(=O)C3)ccc2c1=O 804714133 BNIPTTZGWFTVGN-UHFFFAOYSA-N 426.420 1.718 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1F 807932762 JPSKMEMOWCDKNY-KRWDZBQOSA-N 447.540 1.462 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807935739 UHPJZOMXCVSVNK-QGZVFWFLSA-N 441.517 1.574 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2c3c(nn2C)CCCC3)cn1 812221308 JGXQVPMWULJBPB-QGZVFWFLSA-N 429.550 1.783 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCO2)c1 812253034 KFWWKOXJTSMCQT-MOPGFXCFSA-N 425.489 1.601 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2cc(C(=O)OC)nn2)cc1 816070760 PJFLNBRDFAGAHQ-QZTJIDSGSA-N 448.501 1.870 30 10 IDEE CCN(C)Cc1cc(O[C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)ccn1 856585631 KRDLGQIJKUKGEP-DHIUTWEWSA-N 442.608 1.679 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)cc1 1125136760 XJAJJMKPNCHOBA-XBYUIDQRSA-N 430.490 1.365 30 10 IDEE Cc1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)nc2c1c(=O)n(C)c(=O)n2C 1131370171 JHZPHWFDLQJBFA-UHFFFAOYSA-N 433.468 1.248 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCC(=O)N1CCOCC1 1135401977 CGDQCRPCVZGMHX-HXUWFJFHSA-N 442.516 1.758 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 1136683942 VIOGKLKTMRLUEP-IZEJAUSLSA-N 443.305 1.775 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC(=O)N3CCC[C@](C)(C#N)C3)CS(=O)(=O)[C@H]2C1 1152085859 RXKUTODMUQLNIR-NARAOEGZSA-N 425.551 1.809 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2)c1cc[nH]n1 1158929701 MOOFRNVSMPMXIT-OAQYLSRUSA-N 449.508 1.696 30 10 IDEE COC(=O)c1c(C)cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1C 1158969327 HJXQCFYUUAASNF-UHFFFAOYSA-N 430.486 1.942 30 10 IDEE C[C@@H](CC(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)/N=C1/NS(=O)(=O)c2ccccc21 1159989989 GRNDERSIJMEYQP-CTNYNGJSSA-N 448.545 1.485 30 10 IDEE CCOc1ccccc1[C@@](N)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(F)(F)F 1161866373 PDKOADJQKIZKHQ-JCURWCKSSA-N 431.436 1.198 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 1175230569 XSJZTZHXORJTPU-GFCCVEGCSA-N 425.532 1.099 30 10 IDEE CC[C@@H](Sc1nc(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1)C(N)=O 1274416526 AZNYLSDDLVLCGT-HUUCEWRRSA-N 431.543 1.988 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286387103 NYRJAMMZKWFLLY-AWEZNQCLSA-N 443.451 1.893 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1286446435 FZBFQMMFSSPLGZ-SFHVURJKSA-N 432.546 1.713 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N1CCOCC1 1286460161 VEALUKPOYNCJBO-UHFFFAOYSA-N 431.924 1.933 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286709995 KAGURDXOFDHYHH-CABCVRRESA-N 430.475 1.895 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1286724621 KJFQMBSLSKZECQ-INIZCTEOSA-N 439.524 1.063 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1286787345 SITGRZKAPQONFB-KRWDZBQOSA-N 446.515 1.527 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCNS(C)(=O)=O)C1 1286803678 FYFMWGZSMAQVNM-CQSZACIVSA-N 425.942 1.929 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1286817491 UKUKVZPFDNZTDH-UHFFFAOYSA-N 449.533 1.443 30 10 IDEE CC1(C)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1289010438 MGSXSQPJBFQGNP-KRWDZBQOSA-N 448.549 1.750 30 10 IDEE Cn1cc([C@H]2C[S@](=O)CCN2C(=O)COc2cccc(Br)c2C#N)cn1 1296322460 CLCYCIBGYHIMJZ-PVPMGCCUSA-N 437.319 1.765 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297982484 OSNQPSAAYOOUCN-UHFFFAOYSA-N 442.483 1.830 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1298096770 JGNBZYDXRQFKMQ-LJQANCHMSA-N 440.552 1.301 30 10 IDEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)n1 1298865770 FQXXJXMZZYPCQR-KRWDZBQOSA-N 440.533 1.397 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1299305451 HHSLRYHBJXLVGE-LJQANCHMSA-N 444.496 1.122 30 10 IDEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300421722 PJZBRENXUOXHLL-GOSISDBHSA-N 436.516 1.034 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300500674 CBMUUINHVDJGHM-IBGZPJMESA-N 433.578 1.116 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)nc1 1300506595 VWHCUGKKUYQUFO-UHFFFAOYSA-N 428.500 1.524 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@@H]1CO 1300523075 WJUOANHQHJBIGV-HXUWFJFHSA-N 435.528 1.984 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC1(F)F 1300654343 WYNWKYXFDXEUSF-GJZGRUSLSA-N 433.525 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCNS(C)(=O)=O)CC1 1300683807 TVTIORCAGVYCBP-LJQANCHMSA-N 430.578 1.124 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCOCC2)CC1 1300708086 MTNJAYCGRJYMDN-UHFFFAOYSA-N 439.560 1.771 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1301367518 POUNMVMOZBHLMS-CEXWTWQISA-N 443.596 1.595 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1301425897 ZPIZBLTXCNWCFL-GOSISDBHSA-N 444.561 1.938 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)C1 1301485540 XLTIHLPSBIJTDV-OAHLLOKOSA-N 432.550 1.344 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC1 1301724412 GGOAIOJKEVNLJV-UHFFFAOYSA-N 444.561 1.700 30 10 IDEE CCOC(Cn1ncc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1N)OCC 1302584967 AGVLBDKDQTXFBI-UHFFFAOYSA-N 430.484 1.838 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1302584999 ATDDWCBFONNAPX-HNNXBMFYSA-N 441.488 1.585 30 10 IDEE COc1cc(OC)c(C[C@@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(OC)c1 1312721114 MFFSLQYJEMRRED-GFCCVEGCSA-N 443.460 1.044 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1314551847 LNWQRMGQEKIIBH-INIZCTEOSA-N 436.513 1.066 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315823752 YPQOFEHDWKHQQU-DLBZAZTESA-N 446.531 1.397 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1316534401 ALSRSAKWSMYVCQ-GOSISDBHSA-N 444.561 1.891 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccc(C)cc1 1358949025 RBIHPCRRIHMESO-PKOBYXMFSA-N 447.561 1.456 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358959485 JRKWJKYKRFCYCB-MRXNPFEDSA-N 449.964 1.925 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1358961060 QVSCYENILSNBKK-GOSISDBHSA-N 432.594 1.642 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358965191 POXNDFPCGMGZKH-RTBURBONSA-N 445.589 1.952 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1359037443 JODPJATVGFXNOK-QFIPXVFZSA-N 437.592 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCc2nc(C)no2)CC1 1359047311 AOYXTKUWPNZAJH-QGZVFWFLSA-N 427.509 1.420 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1359103120 KHHFWKCMFKSQCI-LAUBAEHRSA-N 430.553 1.487 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1359105108 KBZLZYITXQQMFE-MSQSPTIYSA-N 433.553 1.626 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359228995 VLGVUTWXUANLRS-SFHVURJKSA-N 436.582 1.746 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1359305871 PJEQXSPTBTWQJN-AVRDEDQJSA-N 433.553 1.485 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC(C)(C)C2)CC1 1359385439 AOAFKLPOOVLGTN-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359387419 FTLQSEDMJROKLQ-LSDHQDQOSA-N 449.515 1.448 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1450472246 WOCFQVSOEPFBNA-HYFFOGBASA-N 428.489 1.816 30 10 IDEE Cn1cnnc1[C@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1453825827 KMHLGPBJUSAJSM-DLBZAZTESA-N 426.477 1.371 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1455201307 CKNLVPHUWHGQKR-DLBZAZTESA-N 446.573 1.988 30 10 IDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)CC1 1465076958 WABLGDNEWLWECC-MRXNPFEDSA-N 449.529 1.252 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 1468295721 SWDFPMRGYHVJIW-UHFFFAOYSA-N 435.546 1.958 30 10 IDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](c1ccc(F)cc1)c1ncc[nH]1 1469699737 KRWMJYJZHYRHFK-GOSISDBHSA-N 427.461 1.835 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1501004839 KEILWGNJWJUTKZ-DXIQSLLYSA-N 432.569 1.923 30 10 IDEE COC[C@H](F)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1504607732 IXCKZNBAHNEYFB-HGHGUNKESA-N 436.532 1.480 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1504912930 DARBRQFUCQEBKR-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1504966260 VWLGYFFPURRBKT-DOLUGPGNSA-N 432.525 1.763 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1507636175 ZWSVIUXJBJEXAG-SFHVURJKSA-N 426.502 1.235 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507944282 QOKYGSIQZRMDGN-VQIMIIECSA-N 426.587 1.156 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1508070769 CNXFRSZKWBRKPH-ACRUOGEOSA-N 448.612 1.419 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1514151557 OLIXBROSGAKGLR-QQMHEVNUSA-N 437.504 1.790 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)CCOC1 1517927149 IDTFLRNVFJMBSZ-NRFANRHFSA-N 445.545 1.636 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@H](C)O1 1518911200 BXOAKKJIIIBTMO-LQWHRVPQSA-N 440.548 1.778 30 10 IDEE N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)C2)c(F)c1 1529482274 HBKSFZGTZNFWFS-CVEARBPZSA-N 429.473 1.875 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCCc1ccccc1)C2 1532963669 FXYOXXYPLWUNDW-YADHBBJMSA-N 432.524 1.915 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@H]2C1 1537629643 RWQVSPNGAUPEMB-NNZMDNLPSA-N 448.545 1.721 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)cc1 1538837327 MCLXOMHRLUHRNX-UHFFFAOYSA-N 431.514 1.780 30 10 IDEE C=CCn1ncc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cc21 1538951886 XWBUXSXANQXJGA-UHFFFAOYSA-N 439.497 1.595 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCCNC(C)=O)c1 1539040212 OKGARXARRSGESZ-UHFFFAOYSA-N 431.500 1.923 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1539232626 KKWBITXTDXIHNM-GOSISDBHSA-N 427.892 1.350 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cccn3)cc2)CC1 1539428250 OGLLILVDEIPSEC-UHFFFAOYSA-N 432.532 1.406 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2n[nH]c(C)n2)CC1 1539461970 ACMSPZSJUVXNMV-IEBWSBKVSA-N 426.569 1.621 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1539557521 WEVWGCSWHPTNPA-GHTZIAJQSA-N 435.594 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540905302 VGXNLMUWUDLDKA-HNNXBMFYSA-N 435.525 1.276 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1541053681 FPHWEQPBJUOVGX-GOSISDBHSA-N 434.508 1.246 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1541513716 DAJZDHHVOKZWDR-KRWDZBQOSA-N 436.582 1.601 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(-n2cccn2)cc1 1541679249 VDFKHSADZUJMOB-LJQANCHMSA-N 434.504 1.573 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)s1 1544128441 WKTASHPXVALZEL-UHFFFAOYSA-N 448.570 1.203 30 10 IDEE CCn1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cn1 1547614645 POLZCMSOANGLKN-OAHLLOKOSA-N 429.506 1.546 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1555422741 ORBYGSHHKKPCLJ-HSZRJFAPSA-N 448.531 1.721 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1555802003 VBDDBCKGBHOAAY-RTBURBONSA-N 445.545 1.494 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1556286960 FRRBOTSPOCSXRT-UHFFFAOYSA-N 449.349 1.853 30 10 IDEE N#CCCN1CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 1564728820 LBJQJTAQMOWYOY-UHFFFAOYSA-N 434.349 1.513 30 10 IDEE Cc1ccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1566308490 WGDWLPXPSUSJAD-FQEVSTJZSA-N 444.381 1.858 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)CC2)c1C#N 1569887206 CKEBLOZPRSVBKM-INIZCTEOSA-N 436.582 1.817 30 10 IDEE CN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ncc(I)cn1 1586462747 AHOKIYOQKGUAIT-LBPRGKRZSA-N 447.236 1.969 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(CCO)(CCO)CC3)CC2)cc1 1587301264 SXSTZNIVKBCSMW-UHFFFAOYSA-N 449.573 1.333 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1588210605 KTEALDPIGAZYEP-UHFFFAOYSA-N 434.525 1.759 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2cc(C)on2)n1 1588724398 YJIYXHDSUSOYTF-LJQANCHMSA-N 425.493 1.957 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCOC[C@H]2OC)CC1 1588733504 VUPXLOUSWIYHHE-IEBWSBKVSA-N 432.569 1.003 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588780981 ZLMLJSDLLONZKH-TZIWHRDSSA-N 425.533 1.760 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1589287987 HCTFOTASVMAMDH-UHFFFAOYSA-N 439.358 1.774 30 10 IDEE CC(C)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1602883381 DKSXVEIUVRKJPM-RWNPKEDZSA-N 443.552 1.229 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1610053902 CUIOJJUGYQGPAP-HNNXBMFYSA-N 434.508 1.175 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1617623224 PBRBEXADVJJRTC-UHFFFAOYSA-N 448.575 1.289 30 10 IDEE N#C[C@]12CN(C(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1618172043 XXUCRHXSTCYPOI-QXAKKESOSA-N 441.475 1.838 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1619834424 IXLWLQXVHUXGFQ-NRFANRHFSA-N 439.564 1.890 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 1622813219 RNZNAQJQGBPULO-UHFFFAOYSA-N 439.969 1.947 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1632369688 HWGXUQXXTSGIPJ-HNNXBMFYSA-N 426.336 1.793 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nnc3n2CCN(C)C3=O)s1 1633646782 LKXCGBQOMZWHHX-UHFFFAOYSA-N 426.955 1.832 30 10 IDEE Cc1cccnc1NC(=O)CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1638583255 MDYBPHZQQRYNGZ-UHFFFAOYSA-N 429.502 1.354 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN3CCCC3=O)nnc12 1638895260 HAJKIMHQWMZALF-UHFFFAOYSA-N 426.502 1.061 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 1639968294 FMKQUCBJXCKKGX-XMMPIXPASA-N 437.496 1.931 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)ccc1F 1642666934 BZKBPAUGSJNIMS-IAGOWNOFSA-N 426.558 1.101 30 10 IDEE N#Cc1cccc(OCCCCC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1653195870 KQAJZOMGRZFSID-BATSVXPKSA-N 433.530 1.435 30 10 IDEE COc1nc(N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)ncc1Br 1657479024 HGGNEXFMKUBXKB-HNNXBMFYSA-N 448.321 1.681 30 10 IDEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)c2ccc(C#N)nc2)CC1 1662090178 ACGWTDXONAXBPC-HNNXBMFYSA-N 448.570 1.861 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 1665069911 XEHLMMGYCPUGQY-UHFFFAOYSA-N 439.925 1.084 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2c(Cl)cccc2Cl)CC1 1673990993 SFAAPRRSVNPPTP-UHFFFAOYSA-N 433.361 1.721 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)C1 1676035848 ZKVHCAMNMSODMT-SCYDXJQRSA-N 448.564 1.572 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)C1 1681433303 FSCUGBDXUOQCNJ-JYJNAYRXSA-N 438.525 1.460 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1684108208 YORKDJWBNGEEAR-HUUCEWRRSA-N 449.520 1.711 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689996850 PVQBLBOPKZOEBH-MRXNPFEDSA-N 446.529 1.017 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1690003451 OEYNXBCZVVGYCO-JOCHJYFZSA-N 425.489 1.301 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1690009673 GHVVLMKIBUFQLA-UHFFFAOYSA-N 443.529 1.071 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[S@](=O)CC 1690029526 DUDWKHLSMZBGFB-OTLZBWLZSA-N 433.578 1.890 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCSC1 1690104274 RNGBKHFNMIJIKO-NQIIRXRSSA-N 430.530 1.745 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NCCC)CC1 1690111804 KEJWJTLGZGWZPV-QGZVFWFLSA-N 428.512 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1690113376 HXSJXZOLXRQTDK-DHIUTWEWSA-N 431.581 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CC=CCC2)CC1 1690143974 IBAFIJDWSJVCLM-UHFFFAOYSA-N 433.560 1.876 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690179086 LZPGBDJBGSFSAK-KRWDZBQOSA-N 434.591 1.342 30 10 IDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)NC(C)C)CC1 1690372618 SNQAOQXXVPUDNV-UHFFFAOYSA-N 436.538 1.490 30 10 IDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690483805 XGCDGZMICWFASI-QGZVFWFLSA-N 425.537 1.959 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690497523 SEPIKZNILFTQKJ-SFHVURJKSA-N 434.585 1.699 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693791064 KSRYOXMTSGTRHE-HDRCJFCASA-N 443.895 1.745 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695476294 PWDZUKMFYQDJEE-HNNXBMFYSA-N 439.520 1.623 30 10 IDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1696524365 PLAWQWFMDSFXBG-JCOAXYOVSA-N 442.545 1.214 30 10 IDEE Cn1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)cn1 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448.312 1.673 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1705651533 ANTKDTPBNRPSKR-UHFFFAOYSA-N 429.550 1.643 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1705688589 SMSMCMCYIAQFLQ-GFCCVEGCSA-N 448.387 1.440 30 10 IDEE C=CCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1705824433 PYEANXMKNKFPIX-JOCHJYFZSA-N 446.552 1.806 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCOC1 1706894918 CCBYBXALMNHLEF-JFRXWTBNSA-N 444.561 1.668 30 10 IDEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1709767246 HUKGZMMBIHZOKQ-ZWKOTPCHSA-N 436.582 1.031 30 10 IDEE CN(Cc1ncnn1CC(F)F)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1711124348 QWGRYWSRPRVING-CYBMUJFWSA-N 431.407 1.235 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@H]1O 1711460288 ZWEIVDYMHKODCH-QZTJIDSGSA-N 445.545 1.293 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1711963052 ZHTWUVOIFIYXES-APFMSCDFSA-N 438.488 1.705 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCOC 1722345452 ZGJQWZQFPUBFKD-HXUWFJFHSA-N 434.566 1.404 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CCCO 1722351916 MBAQHMXCQNTYGZ-HXUWFJFHSA-N 438.580 1.368 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)c2occc2C)CC1 1722435621 QNHXKVOKCAPMGW-UHFFFAOYSA-N 433.516 1.817 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccsc2)CC1 1722441119 LRGGQMGDBGZGPP-LQBOVUBWSA-N 445.589 1.727 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)NCCC)CC1 1722441362 IYAXGMIGRWQEFF-UHFFFAOYSA-N 426.521 1.147 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1722473886 IMPWSVBWTQQZEH-ORAYPTAESA-N 436.488 1.948 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1722680893 COZPAQHIVIYYCD-HOTGVXAUSA-N 445.611 1.003 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1723777510 FQFZDWUXNQSWET-IFXJQAMLSA-N 437.497 1.284 30 10 IDEE CN(C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CCCCC1 1729290553 AQQKERBLOYKOCQ-SFHVURJKSA-N 435.532 1.919 30 10 IDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1729539980 PORBXRGDJREQKT-IBGZPJMESA-N 448.531 1.976 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2sc(C)nc2C)CCO1 1729679678 AUUBMTZAMVAQDZ-QGZVFWFLSA-N 437.529 1.890 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc([C@@H]2CCOC2)cn1 1729706814 ONEXLCJSXPJPKJ-LJQANCHMSA-N 448.531 1.790 30 10 IDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)cn1 1730153767 ABASWRKVOCCGAE-UHFFFAOYSA-N 447.499 1.739 30 10 IDEE COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730498545 QOVVQSHFWUAXBH-GDBMZVCRSA-N 447.540 1.431 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740575246 PSKVGBZPHHBUIE-UHFFFAOYSA-N 430.578 1.976 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1740594904 ZYDHCSBIMQEIOJ-UHFFFAOYSA-N 427.578 1.901 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnn(C)c2)CC1 1740706771 CBAQWBWMURXTMI-UHFFFAOYSA-N 438.561 1.381 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740750154 MOJXVNWSPBGYCE-BBWFWOEESA-N 445.524 1.667 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740955380 SKUMNRIZLVZYAG-IBGZPJMESA-N 435.532 1.860 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966103 VXVRYLABFACVKT-IXDOHACOSA-N 448.568 1.966 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2cccnc2N2CCOCC2)C1 1740985087 NSIHZVALWMBJNU-IBGZPJMESA-N 428.537 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740991491 XSBXETNTBFBYMP-MSOLQXFVSA-N 434.566 1.297 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1741269137 JABORQHFPSMGQU-UHFFFAOYSA-N 439.520 1.608 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1741289211 SAUBLVMYMQMCNQ-IBGZPJMESA-N 426.521 1.831 30 10 IDEE CC/C=C\Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1745076543 IEGFEZFGJJVHKJ-OSJSJHBBSA-N 430.534 1.890 30 10 IDEE CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747438021 LNMGBEUPWMAQRL-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1OC 1748630043 BSCJJKTYDLWNOJ-LJQANCHMSA-N 449.508 1.981 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1748698091 QMHFISKNXUKEIY-LJQANCHMSA-N 427.553 1.939 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1748817113 FFXSCEYGMHWEIZ-SJORKVTESA-N 446.529 1.171 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCC(F)F)CC1 1748994666 MEXPEVVSVSIEEO-UHFFFAOYSA-N 446.502 1.610 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749020072 KIKBBXDRVJOPEQ-HUUCEWRRSA-N 427.596 1.138 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC1 1749342997 UWDAEPRSTXPEEO-SFHVURJKSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749655289 GWAIGBVDBZGJPF-RTBURBONSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1749670646 UODVUOSBCLUAOY-DLBZAZTESA-N 446.458 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(F)ccc2C1 1749731705 IRGTXRSAZVHXQH-KRWDZBQOSA-N 433.509 1.532 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1750057304 RZRHQJOYNQIQBQ-IBGZPJMESA-N 447.499 1.601 30 10 IDEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1752394655 ATDZGICJCKZIBC-QZTJIDSGSA-N 429.569 1.753 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC(=O)N2)c1 1760129221 ZXFOVASUJPKFAH-RTBURBONSA-N 436.516 1.855 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1760183879 UVDTVJMDNSSKAM-SFHVURJKSA-N 426.546 1.919 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1760189046 GGMFDFJITIQEIF-SFHVURJKSA-N 429.546 1.087 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C 1760336995 LITFOHYPFIAIPK-IRXDYDNUSA-N 429.587 1.684 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)CC1)C(C)C 1760489252 DLOQWFXOCCPKQP-IBGZPJMESA-N 431.610 1.946 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(O)c1 1760553602 FPPAJFWXCZVFII-HNNXBMFYSA-N 449.533 1.181 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1763005426 ARFKWCBWEFTEIQ-AEFFLSMTSA-N 444.561 1.856 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CCO1 1767707233 HGQAKHISIBLAKL-WZONZLPQSA-N 438.532 1.709 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCOCCS(C)(=O)=O 1768633769 HKCJDBDOCZWSLC-UHFFFAOYSA-N 442.545 1.853 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)C[C@@H](c1ccc(OC)cc1)N1Cc2ccccc2C1=O 1853274300 KGTYNIHFFLLYEB-NRFANRHFSA-N 440.521 1.947 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1=O 1856804600 BNCTWGPMIHPEEU-QZTJIDSGSA-N 430.482 1.722 30 10 IDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862562574 IUOVYWYSEWOOPC-GOSISDBHSA-N 440.412 1.597 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1cccnc1 1870585809 QMFJDTTYHGVUOC-UHFFFAOYSA-N 438.528 1.703 30 10 IDEE COCCc1nnc(SCC(=O)OC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874472923 DMAIKKDLAYRTHU-GIJQJNRQSA-N 437.434 1.294 30 10 IDEE CC#CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C(=O)OC(C)(C)C 1900622561 UCBHRTOEWNCNDA-CVEARBPZSA-N 425.526 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@](O)(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1950636674 RLCPDYWRDVQOFK-REWPJTCUSA-N 430.549 1.695 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 1963883291 ZEBAWPBTCCOWBB-CYBMUJFWSA-N 446.289 1.911 30 10 IDEE C=CC1(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 2020668031 GPPIRYRCYPWXFP-QKKBWIMNSA-N 441.525 1.011 30 10 IDEE CC1(C)OB(c2ccccc2S(=O)(=O)NCCNOCc2ccccc2)OC1(C)C 2247882059 JCBYOHSDKMVUJK-UHFFFAOYSA-N 432.351 1.986 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255656276 YQEGUUKTJZNKMK-ZIAGYGMSSA-N 436.314 1.679 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H]1OC 2255859481 RLDMTNGEHFWSGD-BFYDXBDKSA-N 438.330 1.387 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255861183 AGQHXEZDJYXKST-WCQYABFASA-N 429.248 1.986 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255875984 IAPGPCACVQVGCB-CYBMUJFWSA-N 437.350 1.393 30 10 IDEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2256067926 VIIIQORNGVLEHO-UHFFFAOYSA-N 432.330 1.953 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2259118422 NGXYMAIFUNUMIW-UHFFFAOYSA-N 436.314 1.633 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267263558 HQZMKTBESFFGSX-GASCZTMLSA-N 444.341 1.715 30 10 IDEE C[C@@H]1CCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267478043 SNPQDBPRMQINKF-DOMZBBRYSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)C(N)=O 2304802159 SQMQLYUWYRMRLL-CYBMUJFWSA-N 425.266 1.277 30 10 IDEE C[C@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2315694653 BYQRTFPUZMTXDR-CMPLNLGQSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322297601 IMBDDHFQYQPGOI-UHFFFAOYSA-N 436.293 1.089 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2329045269 UNYSVYQYKCJRHP-AWEZNQCLSA-N 448.505 1.973 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2334264915 ZOXPRJXYRRCNMP-FMKPAKJESA-N 444.341 1.761 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334270580 ZPFCCONKANIEBV-FVQBIDKESA-N 446.357 1.940 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)n1C 2337323064 DBMLOCWNUTUTAJ-UHFFFAOYSA-N 440.353 1.004 30 10 IDEE COc1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)ccc1B1OC(C)(C)C(C)(C)O1 2339785927 DOFXJLYNACGGIP-HOTGVXAUSA-N 449.357 1.858 30 10 IDEE N#CCCN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364299754 GKTQACIKXDHEHA-UHFFFAOYSA-N 432.546 1.704 30 10 IDEE CC(C)C[C@H](NC(=O)[C@@H](CC(=O)NO)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 3788088 HLSQLCOADIMQBK-QYZOEREBSA-N 448.564 1.288 30 10 IDEE in-vitro Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccccc2C#N)n[nH]1 59888320 MHXZHWFGUQMNLE-UFFVCSGVSA-N 439.505 1.659 30 10 IDEE CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)[C@H]1CC(=O)N(O)C1=O 207725966 UJORIKTZKAVMQQ-IPYPFGDCSA-N 427.498 1.400 30 10 IDEE CCN(CC)CN1C(=O)C(=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc21 254295373 TZBUCWYGZWSZSB-UHFFFAOYSA-N 443.529 1.974 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)C2=O)cc1 426372773 PIOQGOXOFBWXHW-WOPUCXHBSA-N 432.524 1.467 30 10 IDEE Cc1nc(CN2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)n[nH]1 433871050 VACODGHZEOVTSB-UHFFFAOYSA-N 425.312 1.254 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@H](O)CN2CCCCC2)CC1 434419573 APXQQYWSGHGXHS-KRWDZBQOSA-N 427.505 1.986 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 460928669 CEPOLVXSFUONSK-KURKYZTESA-N 441.598 1.829 30 10 IDEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471065827 KACZHWGIYNQXHZ-SFHVURJKSA-N 439.516 1.725 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 479910690 MFMKAKOGJIIUHM-MRXNPFEDSA-N 440.525 1.646 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 492336037 KZRLEYXLSCFLHR-UHFFFAOYSA-N 438.322 1.209 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1 500493644 DORCXYLKRZJIKL-UHFFFAOYSA-N 428.470 1.547 30 10 IDEE C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCCC1=O 527258144 XMUWOHWOPFPTTB-INIZCTEOSA-N 432.546 1.476 30 10 IDEE CCn1c(=O)nc(O)c2c(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc(C3CC3)nc21 546902709 NEWKNZORMIOPSQ-UHFFFAOYSA-N 445.483 1.623 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@]2(CNC(=O)C2)C1 549296363 IUQRFPYFWOABTG-FQEVSTJZSA-N 429.550 1.531 30 10 IDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C2CC2)C(=O)C1 549322468 TTWPTURZMQQXQZ-UHFFFAOYSA-N 443.577 1.934 30 10 IDEE CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 549817110 APJXEDHQCBAORD-SFHVURJKSA-N 432.550 1.775 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C[C@@H]1CCCO1 555393311 SNCGSZMZOOXAJL-SFHVURJKSA-N 447.561 1.767 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603551939 UPMYFXARBPFJBJ-UHFFFAOYSA-N 428.518 1.072 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1=O 610598715 DVHITWHCBFRRTJ-MGPUTAFESA-N 432.502 1.214 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 618839682 JVVHZCZZWUBACB-UHFFFAOYSA-N 430.490 1.254 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCc2c(C)nn(C)c2C)C1=O 726115473 QBAIWEZJRGPACK-YQMDHOPXSA-N 428.562 1.653 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnc(C)s3)c2=O)cn1 726180666 RFSPTTSYRNQWSU-UHFFFAOYSA-N 425.539 1.753 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)s1 752190902 QHNRHOVTYIFIBX-UHFFFAOYSA-N 447.545 1.571 30 10 IDEE CCC(=O)NCc1cc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1OC 752591568 CXBBTNGLQDNHBS-CQSZACIVSA-N 445.497 1.865 30 10 IDEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)O 757209650 LYSWQQHKYNJBAG-LEWJYISDSA-N 436.464 1.869 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)/C=C\c2ccc(I)o2)CC1 758648109 FKYNJPVIRFDUTE-XQRVVYSFSA-N 429.258 1.344 30 10 IDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760388679 SKFZMLBUWDDEPA-UHFFFAOYSA-N 438.550 1.797 30 10 IDEE COC(=O)Cn1cc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OC)cn1 765232301 DDBJLPPMFSJSGE-UHFFFAOYSA-N 430.236 1.467 30 10 IDEE COc1cc(C#N)ccc1COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 766864397 RCIDCMGNEYLTHH-QRWLVFNGSA-N 432.498 1.955 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 772882985 KJSJPTQXOWCACL-KRWDZBQOSA-N 445.545 1.456 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(CCc2cccs2)c1=O 782749482 IJUVQQCNZBWMCP-UHFFFAOYSA-N 446.355 1.737 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)n1 788819179 CGWZODIGRHTDKU-QGZVFWFLSA-N 440.500 1.562 30 10 IDEE Cc1c(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)cnn1C 790751250 VPFWCRQRFJEEOU-MRXNPFEDSA-N 434.591 1.990 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccccc3C#N)c2=O)cn1 794608185 JCIFYSSXFLJUGJ-KRWDZBQOSA-N 445.504 1.003 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 805786088 MIXWIWFDFMEPGK-LJQANCHMSA-N 430.530 1.942 30 10 IDEE NS(=O)(=O)c1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1Br 807949277 GEZIDPJPFOEYAS-UHFFFAOYSA-N 430.231 1.878 30 10 IDEE COCCOCc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1 808131428 VVFZVFLWBNVUKP-IBGZPJMESA-N 425.510 1.278 30 10 IDEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@](C)(C#N)CN(C)C 1128703926 QZKCJJALVIUQRS-IEBWSBKVSA-N 434.338 1.938 30 10 IDEE CN1C(=O)Cc2cc(CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)ccc21 1135094965 PRTCAGWNFQKMCF-SFHVURJKSA-N 431.452 1.599 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cccc(S(=O)(=O)NCCCCN(C)C)c1 1157659277 CMPMUYAJAIHBDM-UHFFFAOYSA-N 431.518 1.840 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)c(Br)cn3)CC2)C[C@H](C)O1 1162132629 YHQAOQJYGSLZRR-STQMWFEESA-N 444.355 1.192 30 10 IDEE CC(C)(C)OCCCN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1176012085 WONXCOCDTVPGPW-UHFFFAOYSA-N 436.578 1.465 30 10 IDEE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179653339 XSWPUWHOYCVBOL-WAOWUJCRSA-N 433.530 1.724 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1254416921 XENPMDNMVPFIOE-PZJWPPBQSA-N 449.559 1.778 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286391675 FLYSAFCCAADLPJ-MANSERQUSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286392240 LEGNMAVIBZRNGK-WOJBJXKFSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1286409967 PXULKWBXGXQHCF-FQEVSTJZSA-N 433.472 1.038 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCCCC2)CC1 1286472074 UKQZWORFNAIZCB-UHFFFAOYSA-N 428.581 1.866 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccn(C)n2)CC1 1286474608 NMWXEVODGJZOCT-UHFFFAOYSA-N 435.532 1.889 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286504251 PGRMEKNFQGPLSB-LJQANCHMSA-N 428.610 1.261 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)CC1 1286645312 BBCMZQFKWRHFOE-MRXNPFEDSA-N 428.580 1.161 30 10 IDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286698953 LFCWQCIGIXVICY-KRWDZBQOSA-N 431.541 1.990 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287148090 LLCQBKSJFIRRIB-IIBYNOLFSA-N 425.493 1.171 30 10 IDEE CC(C)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287207504 RDGLUXXPJQLRKU-GALDBLJUSA-N 441.536 1.423 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@@H]1C 1291176270 XHKYVUXUOREWQM-JKSUJKDBSA-N 432.550 1.903 30 10 IDEE CN(C)C(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1297983894 DDHCXBIVPDLDTD-LJQANCHMSA-N 448.528 1.158 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1300409793 JYEBCLDPHMZZDY-IRXDYDNUSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300494268 ZOGWLOHWDWZSCY-GOSISDBHSA-N 433.578 1.575 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1300497397 AZLSKPJFNGMKCX-KRWDZBQOSA-N 442.570 1.704 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC 1300672275 XJUBOHDAMBAGHX-IRXDYDNUSA-N 437.541 1.707 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCCC)CC1 1300689122 PHVDYECEWQJLAD-UHFFFAOYSA-N 432.475 1.828 30 10 IDEE C#CCSCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1300777690 ABKUKDORAUTPNV-QFIPXVFZSA-N 447.605 1.888 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1300990117 BKJDVSKWVIBCKM-KRWDZBQOSA-N 431.541 1.206 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301196381 AYXHUYRFDIBKDR-UHFFFAOYSA-N 447.565 1.752 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CCCO 1301278672 OJORNBMBJFLUSK-SFHVURJKSA-N 433.578 1.818 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1COCCO1 1301305840 QPJZPVCYXRUONE-OAQYLSRUSA-N 426.565 1.680 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1301509326 GAYJKZNQEFJZBR-UHFFFAOYSA-N 442.568 1.183 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)C1 1301565888 LDVBROILPAPOEQ-UGKGYDQZSA-N 431.512 1.844 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1301611941 IRTUSWHABVDRPP-QGZVFWFLSA-N 448.618 1.821 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1304902437 AZYVAQCKAZPVOX-DHMKHTPVSA-N 426.546 1.785 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315893923 ICOOQLOFCXMYCG-XOMICKMZSA-N 439.520 1.673 30 10 IDEE COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1316265402 TZXMIEJFMIKYPB-IBGZPJMESA-N 437.497 1.454 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCN2CCC(O)CC2)cc1 1316529117 AZKIDVKLIGBRQT-IBGZPJMESA-N 437.548 1.365 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1358880679 QPGHYKAHAYFEEF-DJJJIMSYSA-N 438.937 1.615 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1358891606 JVWVFCJKMWVKRQ-DLBZAZTESA-N 437.541 1.443 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1358939582 ZNJKYCITRMLBGW-INIZCTEOSA-N 444.561 1.128 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCC(=O)N1CCOCC1 1358998307 ZKMCJAFQBZJRBX-UHFFFAOYSA-N 435.528 1.877 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1359018768 BIIXXTZOFFFAHX-MRXNPFEDSA-N 447.561 1.095 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC(C)CC1 1359021634 VUDMNFMDHLRQRL-UHFFFAOYSA-N 449.563 1.739 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(F)(F)CC2)CC1 1359029433 XORGGGVWEPYNBO-OAHLLOKOSA-N 444.552 1.469 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)Oc2ccccc2F)CC1 1359034897 FXLOCHVXDWTIJN-PKOBYXMFSA-N 440.523 1.981 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOC2=O)CC1 1359037006 QYBUVEIBMCDRCV-UHFFFAOYSA-N 444.486 1.745 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)N2CCOCC2)CC1 1359043280 OMJOAVMVGLYPBH-IBGZPJMESA-N 436.560 1.632 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1359126374 NRGICRWJAPNSAJ-UHFFFAOYSA-N 428.541 1.434 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1359299833 OAJXUDPAJHVGSL-WOJBJXKFSA-N 447.543 1.862 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359302686 QDZXVRDTHGNIRP-UHFFFAOYSA-N 425.537 1.261 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359471174 MRLNBOLAROYMRL-HNNXBMFYSA-N 439.524 1.529 30 10 IDEE N#C[C@]12CN(C(=O)COc3cccc(I)c3)C[C@H]1CS(=O)(=O)C2 1439793299 CMCPBACJYZSMRN-XHDPSFHLSA-N 446.266 1.067 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1446992847 YSUHIWYNPUXMDB-FZTQNYJHSA-N 440.566 1.313 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OC 1463601192 ZJPIQFZKGJGDLA-LBPRGKRZSA-N 436.280 1.258 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 1464028246 MQQBXNCNASYQHN-UHFFFAOYSA-N 433.436 1.860 30 10 IDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)C1 1465872592 RVRSCZCYDONUNF-IAGOWNOFSA-N 432.546 1.551 30 10 IDEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1473076859 AUAMYIUNILLYFJ-UHFFFAOYSA-N 427.892 1.746 30 10 IDEE C#CCN(C)CCCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1477568325 PDYKGHNUANTRPW-UHFFFAOYSA-N 439.539 1.697 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 1478670630 WNCKFSOVMJIAEW-UHFFFAOYSA-N 443.525 1.901 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507632221 YFZWCIGPSGAARU-MSOLQXFVSA-N 432.550 1.265 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632767 PNABOPCJXFILCA-MANSERQUSA-N 436.578 1.614 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1507714713 SULFODWJPHGRES-KRWDZBQOSA-N 444.540 1.613 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)ccc2OC)CC1 1507715692 HEVIYMPXYFSYFG-UHFFFAOYSA-N 438.532 1.335 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1507743524 FHDCKGCUXXLVKW-UHFFFAOYSA-N 434.610 1.331 30 10 IDEE C=CCCOCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507966875 YOWFVWIFXGEYAE-YADHBBJMSA-N 433.553 1.770 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508092127 OVRVFICXOLYOGG-SFHVURJKSA-N 438.532 1.669 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1519606795 OUAPRFZACJAYIT-GOSISDBHSA-N 444.561 1.497 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(=O)(=O)CC 1539003612 DIPKEXZHJFFIDW-CQSZACIVSA-N 443.533 1.381 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539117449 YKJWCCNIGCKYTJ-CALCHBBNSA-N 428.537 1.965 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 1539126693 ZYIUYDJPCRADES-KRWDZBQOSA-N 437.591 1.765 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1539225834 QIAOLSXRQHEXMU-MRXNPFEDSA-N 446.558 1.605 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1539462830 LPEUAJUSISNIKR-PRAQEBQASA-N 427.574 1.812 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cnn(C)c2)CC1 1539490547 XIWVKGQFPQSCBF-UHFFFAOYSA-N 427.578 1.998 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539574740 PCQCUNZDJGZUTN-HABKJSAYSA-N 448.387 1.394 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1 1539650266 MSSVNTMFWSDMQW-CQSZACIVSA-N 435.554 1.692 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 1539766165 PAKCPNTYWFESLK-IIBYNOLFSA-N 444.561 1.318 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540858177 KWOYXDKDLMKWMP-QVKFZJNVSA-N 448.524 1.803 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1540868381 CKTZGKTVFHOXFJ-HNNXBMFYSA-N 439.524 1.871 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540872710 YHLJRSCNMIXFDR-CYBMUJFWSA-N 439.488 1.073 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540875217 DSKKBJJDJUBTQB-JOCHJYFZSA-N 442.520 1.130 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1540906916 GPWNFVKQINWIQW-QGZVFWFLSA-N 447.561 1.468 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1541246811 CJRVAOHJZSPKDT-UHFFFAOYSA-N 447.561 1.903 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1541726351 YASZYHFSLFBUMW-IAGOWNOFSA-N 448.421 1.439 30 10 IDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1542008510 FVEKVRRDVHKSTK-UHFFFAOYSA-N 445.545 1.372 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1555385300 DVFQDONBLUGYIM-LJQANCHMSA-N 445.545 1.493 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1555426116 IEHQHQDUBZSFBW-QFIPXVFZSA-N 425.537 1.926 30 10 IDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1557383534 ALYYBMSFVBEFHT-IBGZPJMESA-N 430.486 1.694 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 1557798827 OZNQNBUHODQRKW-KRWDZBQOSA-N 438.546 1.783 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)s1 1566389020 DVRDPFMPPVTUJG-HNNXBMFYSA-N 425.576 1.662 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1569725407 WVLKAUSAEWPCGP-OAHLLOKOSA-N 427.548 1.189 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1C(=O)CCC1=O 1586280733 IPLBLZDUEAKDKL-LJQANCHMSA-N 426.473 1.658 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1587580451 PXASILCCTYTWET-PBHICJAKSA-N 429.546 1.721 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1587909149 DSUPDWZYNHAION-LBPRGKRZSA-N 439.925 1.431 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1588078569 IQHUWEJFJLEAOQ-GOSISDBHSA-N 439.541 1.655 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1588233218 DJWZDBJRADPREN-IBGZPJMESA-N 433.578 1.654 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCn2cncn2)CC1 1588761903 BSQZLXHONKPIRV-UHFFFAOYSA-N 428.447 1.593 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2NC(=O)CC2(C)C)C1 1595665607 YBZJBNPPBWSFAM-IRXDYDNUSA-N 432.569 1.893 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 1596143663 OLLXKINWUSOVGN-KRWDZBQOSA-N 431.489 1.764 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@@H](O)C2)c1 1620150143 DZMMPDCUOKOEGD-CGTJXYLNSA-N 445.545 1.628 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Nc3ccc(OC)cc3OC)cc2)CC1 1626966454 DJWVEDXOOLSZDD-UHFFFAOYSA-N 436.512 1.955 30 10 IDEE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304382 MPMZFGMNRQAWFV-AWEZNQCLSA-N 437.474 1.904 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1636966798 FQCWCZOQMMRGJI-UNMCSNQZSA-N 439.487 1.877 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1 1640409316 NZFGTUABVNKSDO-NDEPHWFRSA-N 442.607 1.578 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccnc3ccccc23)CC1)c1cc[nH]n1 1640519930 KOAILFVGHLLJKE-UHFFFAOYSA-N 436.472 1.591 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 1644526832 ZIRKYRAIVUSQGP-UHFFFAOYSA-N 428.558 1.833 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)nc2Br)c1 1645233523 CTXLCQAJOZUYDG-UHFFFAOYSA-N 426.267 1.825 30 10 IDEE C#CCNC(=O)CN1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1 1645867436 KUMIKJYGRJHNGP-TZIWHRDSSA-N 428.533 1.211 30 10 IDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 1646094921 CTDSWXOTGRMSPU-OAHLLOKOSA-N 433.559 1.823 30 10 IDEE CCCCn1c(N)c(N(C(=O)CN2CCO[C@@](C)(C#N)C2)C2CCCC2)c(O)nc1=O 1648463305 OVDQIMVPSGQWCV-NRFANRHFSA-N 432.525 1.221 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1659652672 WTZPYCXLFUMQGV-KRWDZBQOSA-N 447.561 1.818 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)c1 1670492022 HSKNYDJCDKUENR-UHFFFAOYSA-N 441.556 1.058 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1ccc(S(N)(=O)=O)cc1 1689868533 JMVLVYPDUASYIV-AYBZRNKSSA-N 447.561 1.350 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1690076935 FAWPIBMZFRVSMD-IBGZPJMESA-N 425.489 1.499 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(NC(C)=O)CC2)cc1 1690680396 RFABHFAAZDSJBF-HXUWFJFHSA-N 438.532 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690715440 LOBVYIQQGQRMFN-UHFFFAOYSA-N 427.571 1.917 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CSC 1690724882 YBFVAIJZIZNQQJ-LSDHHAIUSA-N 448.636 1.113 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1690997181 FPALEZLTNABROC-OAHLLOKOSA-N 436.524 1.821 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1692672821 GULHQPZFEHREIT-YCRPNKLZSA-N 428.493 1.234 30 10 IDEE Cc1nnc(N2CCN(CCc3cccs3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693520363 RMZKTWMOPYDXJE-FMQUCBEESA-N 441.561 1.539 30 10 IDEE C[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1693795467 JSBZPVXACPXDGW-NXHAUGRDSA-N 427.509 1.129 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1695793765 FJKNWKGWNMBACZ-SFHVURJKSA-N 433.520 1.829 30 10 IDEE CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1696133693 FKZHPZCVTDCZPM-SJLPKXTDSA-N 431.518 1.356 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1696630604 GJGSBHDDCUGMRV-KRWDZBQOSA-N 435.575 1.556 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1697048236 AMJCAJGVWWIBGY-MRXNPFEDSA-N 429.502 1.393 30 10 IDEE COCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1697999705 GIENADOWVQLLTI-SFHVURJKSA-N 448.549 1.156 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1698489961 FMKLOFXSMYWYLD-KRWDZBQOSA-N 434.566 1.227 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705503190 QQGVIYSHGMWGMH-AEFFLSMTSA-N 442.545 1.468 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1705551929 SUIHVUMHTHPQDN-LJQANCHMSA-N 431.562 1.540 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 1705563679 CFKXULZIMQTVKY-HNNXBMFYSA-N 447.948 1.527 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705564083 LAQJZOUQPCKREG-AWEZNQCLSA-N 445.574 1.373 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705568304 KKNFZIZASOHKKP-QGZVFWFLSA-N 443.529 1.126 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1705580700 NBQNCJBZNDQCSH-HXUWFJFHSA-N 432.528 1.495 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705581186 VEHROMMBCOWOEP-MOPGFXCFSA-N 436.516 1.277 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1705581316 YIHUNIPXRDBFJL-KRWDZBQOSA-N 437.500 1.766 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1705589417 RCGWEZPMKIRNFJ-HRAATJIYSA-N 447.536 1.398 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705665478 VESPJIUSLSUSLT-JXFKEZNVSA-N 437.566 1.574 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1nc(O)c2sccc2n1 1705885846 UZRIAQUDKRZIIH-LLVKDONJSA-N 437.551 1.811 30 10 IDEE C=CCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705893313 BVOXGSWUEFOLFO-YLJYHZDGSA-N 439.582 1.509 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1705894661 GXRCXTCFFXNCBB-UHFFFAOYSA-N 443.527 1.604 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939531 ZCLSUHZFVCIUBS-IBGZPJMESA-N 428.555 1.145 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1 1706659001 BZGDNHSNEYDGIE-FQEVSTJZSA-N 431.566 1.722 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1708248928 IXLIGCNSNKRSAP-APWZRJJASA-N 443.577 1.429 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC[C@H]1C 1712072378 OUUJUYWCZGCNCI-QAPCUYQASA-N 432.550 1.569 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722325892 MQCYRVHBVIFSOK-HNNXBMFYSA-N 435.326 1.790 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1722343189 DYMPSSXIWQWASX-HSZRJFAPSA-N 425.533 1.944 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1722363069 YWDWPDSHDGCDIS-BEFAXECRSA-N 432.575 1.648 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722369247 ZSWASHKKVILXGP-STQMWFEESA-N 438.497 1.662 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCS(=O)(=O)C1 1722379026 KSERAVRZZLRNSM-GOSISDBHSA-N 434.525 1.638 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N2CCOCC2)CC1 1722435667 RSFDUAKKOXUWBN-UHFFFAOYSA-N 426.496 1.088 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722460088 BYALEMLWHVVDGD-OAQYLSRUSA-N 439.633 1.847 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1722658344 HJGDIECTDAPACM-IBGZPJMESA-N 443.573 1.899 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722726347 CMSYIXGTDRPMDQ-LSDHHAIUSA-N 432.612 1.794 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722867549 GWVQLNIVPYFFGB-HUUCEWRRSA-N 432.554 1.142 30 10 IDEE O=C1CC[C@H](c2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC(F)(F)F)N1 1731216721 BGDWBFRZJOGTNO-SECBINFHSA-N 432.344 1.814 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740623346 RSDDOKSYPODPGQ-SJORKVTESA-N 433.578 1.477 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncn(C)n1 1740657116 PYFUKALVOHLKDH-UHFFFAOYSA-N 430.520 1.092 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCC2CC2)CC1 1740693112 UJBZBFLTQFYVSA-UHFFFAOYSA-N 446.353 1.317 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740961393 BAJNHRDSSMIVNR-HSZRJFAPSA-N 436.491 1.803 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)[C@@H](C)C1 1741046177 YFFPALYKFOPNLZ-INIZCTEOSA-N 447.499 1.783 30 10 IDEE CC(C)c1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741360210 GEFCCJXEMINABK-DPPKGPFUSA-N 427.553 1.993 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1743364620 WCASCTSYCWVTMP-QGZVFWFLSA-N 439.564 1.888 30 10 IDEE CCN(CC(C)C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1746025532 NROBTJVWHPYPIU-VXPUYCOJSA-N 429.525 1.409 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1748745769 XCEGOAOLPWJUSV-INIZCTEOSA-N 427.509 1.878 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCCc1ccccc1 1748770717 DBMBNUHWHSMVGR-QHCPKHFHSA-N 425.533 1.747 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748816052 WIAWWIYCEFWYSE-MRXNPFEDSA-N 440.591 1.140 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1748891744 FEKHKAPVKUWNBJ-GOSISDBHSA-N 444.532 1.977 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1748964631 LCWIDCACSIMDTD-SFHVURJKSA-N 434.518 1.311 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCCCC2)CC1 1749014615 LBJBJLQGCVPSLN-LJQANCHMSA-N 442.564 1.150 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)C(C)C)CC1 1749020036 JFDDDUBZMJTQKZ-YDHSSHFGSA-N 447.580 1.375 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@H]1C 1749219840 UUGNYWKMYUIQPO-MRXNPFEDSA-N 427.505 1.976 30 10 IDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749449574 PHOHTTNYBVWFOD-UHFFFAOYSA-N 430.534 1.491 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1749707180 AZNCEXBRWIYNRB-QYZOEREBSA-N 432.569 1.367 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749744722 OPMQRBFNAMWJLD-HRCADAONSA-N 445.611 1.192 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1750198005 BRNNOGOZZCDBAY-SFHVURJKSA-N 442.545 1.562 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCO3)n1CC(=O)NCC(F)F)C2 1750381751 DADSHGSGZONPPA-CQSZACIVSA-N 433.419 1.046 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1750980442 APFLSFLXCBGACR-UHFFFAOYSA-N 448.535 1.187 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760258765 RRDWEHAEZCHJGU-GOSISDBHSA-N 443.573 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1760269830 PVZFWQKRJHOUTD-TZIWHRDSSA-N 442.608 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1760273604 ZXLKLSDMUIVGBW-OALUTQOASA-N 446.596 1.280 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C(C)=O)CC1 1760291014 XGLMOVUDUDQSRN-DHIUTWEWSA-N 444.580 1.086 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 1760319700 PJSFEDOJQFQJFJ-UZLBHIALSA-N 428.537 1.736 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1760549650 JHCPTBFBAGLEAX-UGKGYDQZSA-N 425.489 1.661 30 10 IDEE CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762444953 VHVKCRZCNMNERV-BZCZAOFBSA-N 441.536 1.667 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1763005429 ARFKWCBWEFTEIQ-WMZOPIPTSA-N 444.561 1.856 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCS1 1763077362 HCKAQDHFEYQFEQ-OAHLLOKOSA-N 447.586 1.698 30 10 IDEE CON(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1\N=CC=CC1=O 1771311398 UAVYOCHEOWVOFH-CZIZESTLSA-N 434.460 1.859 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC=CCC2)C1 1771362348 YVYOFPNJKCFEDC-JTDSTZFVSA-N 438.529 1.409 30 10 IDEE COc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCCC1 1772793422 YILICPUUXNTFDI-UHFFFAOYSA-N 430.438 1.848 30 10 IDEE C[C@H]1Oc2ccccc2N(CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)C1=O 1851469717 UKKURSBNJVTSHP-QGZVFWFLSA-N 435.484 1.433 30 10 IDEE N#Cc1ccc(NC(=O)NCCN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 1851571194 GUBNAJVYQSIEPS-NRFANRHFSA-N 435.484 1.664 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2nnnn2-c2ccc(F)cc2)cc1 1851736174 AJPLIYAZUDTZEG-NRFANRHFSA-N 438.463 1.969 30 10 IDEE N#C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)CCO1 1852463113 MZHBDZCSVDCHRZ-GFCCVEGCSA-N 425.228 1.035 30 10 IDEE CC(C)(C)[C@H](C(=O)N1CCC(COc2cccc(C#N)n2)CC1)N1CCS(=O)(=O)CC1 1852939220 VSWZFIAGQQACNM-FQEVSTJZSA-N 448.589 1.716 30 10 IDEE CC(C)COc1ccc(C(N)=NOCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1853459674 PRYGSNUXVFSLOB-UHFFFAOYSA-N 426.521 1.887 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2CCOC2)C(=O)C12CCCC2 1856266462 IPVJCIMXUZPISA-INIZCTEOSA-N 431.514 1.657 30 10 IDEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)[C@@H]3CCCO3)cc2)c1 1858663385 FWIDUVCQTMCHTQ-SFHVURJKSA-N 428.470 1.864 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1OC 1866800694 NGSHRHIISSJSES-CQSZACIVSA-N 445.497 1.883 30 10 IDEE COc1cccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)c1 1870095783 VOALQWAZGDVYHU-UHFFFAOYSA-N 426.414 1.854 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1ccccn1 1870358498 FABMYBHARFUGDE-UHFFFAOYSA-N 426.517 1.343 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1C[C@@H](C)O 1870570390 YSHRCRQMANABJR-CQSZACIVSA-N 433.534 1.581 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N(CCOC)CCOC)ncnc21 1873562628 LTQAFBLAZCYPBO-UHFFFAOYSA-N 444.536 1.021 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2010397058 QVOSDPQDIGYWLF-ZIAGYGMSSA-N 425.335 1.840 30 10 IDEE Cc1cc(C#CCN)sc1CN(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2100774147 PJOXWRRMUQZHND-UHFFFAOYSA-N 431.539 1.425 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247817156 JNRZQRYCYQNLIB-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255605838 SGKWCOKCJZMNNG-QWHCGFSZSA-N 438.309 1.786 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255650552 ZYPCTBRTWFEDGE-ZIAGYGMSSA-N 434.346 1.610 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2255651301 IECVRDRLGAEXHN-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255654223 UEBGLKAHXAXCSC-UHFFFAOYSA-N 434.346 1.658 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255656110 WFULODJSJPDYTB-DZGCQCFKSA-N 436.314 1.848 30 10 IDEE Cc1ccc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255678741 QORPRMURKREZRS-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE Cc1cc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2255746483 ZIPIGQKUIOIPDS-UHFFFAOYSA-N 444.362 1.970 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255842263 OSQUNVUQHICABH-LLVKDONJSA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256612059 BMSOBWPLRWOXRX-CQSZACIVSA-N 431.302 1.148 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267138926 YZUMULSHDWQRDL-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267275573 PQEOTDAZFRGHAC-QFIPXVFZSA-N 447.341 1.483 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1 2267545703 MOALDKGYZQUNST-MGPQQGTHSA-N 447.345 1.242 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C#N)c(F)c1)NC(=O)OCc1ccccc1 2286033929 AEFNTYBLZCUYNU-QGZVFWFLSA-N 435.433 1.907 30 10 IDEE COc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1OC 2322614572 YKWJQCGMRFYYND-GFCCVEGCSA-N 426.882 1.720 30 10 IDEE CCOc1ccc(NC(=O)CS(=O)(=O)[C@@H](CC)C(=O)Nc2c(C#N)cnn2C)cc1 16893830 ZMBBHHMDCNCSDG-INIZCTEOSA-N 433.490 1.461 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)cc1 28998328 NJKFTTDHWUFJAO-MRXNPFEDSA-N 429.498 1.867 30 10 IDEE C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(S(C)(=O)=O)ccc21 44360600 GCNXVOUFYOYZBA-YWMAMYRUSA-N 443.572 1.144 30 10 IDEE CN(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 432876063 ALFZJEHKWGAQBZ-UHFFFAOYSA-N 448.570 1.315 30 10 IDEE COc1ccc(-n2cc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)nn2)cc1 446259435 WSDKDOYMNDGRAZ-UHFFFAOYSA-N 425.470 1.379 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 460549145 FEURZUACXMKCRC-JKSUJKDBSA-N 434.570 1.360 30 10 IDEE CNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cn1 473946755 TYTLLPILADPWRV-HNNXBMFYSA-N 431.499 1.015 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccncc2Br)CC1 477494071 OTNYGXTWUFTOFS-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccnc1N1CCC(CO)CC1 487746943 GCKUFXBWXPIFKD-HNNXBMFYSA-N 443.529 1.467 30 10 IDEE COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)c1 489514993 NJABPAQEZGOGBV-IBGZPJMESA-N 430.486 1.705 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)CC1 492419657 QWBWNLWIIFYPHW-UHFFFAOYSA-N 436.578 1.132 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 505382257 LSFKBNPTUYWKLT-KRWDZBQOSA-N 448.589 1.356 30 10 IDEE CCCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCCCO1 533385157 ODIWFIMFNVWGPB-FQEVSTJZSA-N 448.589 1.672 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 533671038 KDKNXPIOHIGUQV-ICSRJNTNSA-N 437.947 1.854 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 611791904 GDCROJXIXQKXGN-UHFFFAOYSA-N 441.553 1.721 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795674 RWCYLIFDVXURJT-WBVHZDCISA-N 428.558 1.984 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CCN1C1CC1 735766169 XAXWXHJZAYOYQP-KRWDZBQOSA-N 436.472 1.663 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(F)c(S(N)(=O)=O)c2)cc1 749621550 UAUMABGJBLKCIQ-OAHLLOKOSA-N 434.474 1.499 30 10 IDEE COC(=O)[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1cccc(C#N)c1 751656116 IFPOASRWBAWKMA-NHCUHLMSSA-N 447.447 1.791 30 10 IDEE CN1C(=O)C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(Cl)c(F)c1 755061010 VUGGPVPEEUXMBH-ZWFZENPLSA-N 449.870 1.577 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 780713176 HHLGXUVTNCNSBN-LBPRGKRZSA-N 449.348 1.219 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781648732 JYLIUTONLLDHAQ-UHFFFAOYSA-N 426.542 1.466 30 10 IDEE Cn1ncc(Br)c1/C=C\C(=O)c1cccc(S(=O)(=O)NCCC(=O)O)c1 782303716 OAFJDUVSBLGTGH-WAYWQWQTSA-N 442.291 1.832 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 783545143 LQPVCOTVYZVVSA-UHFFFAOYSA-N 431.308 1.282 30 10 IDEE COC(=O)[C@H](OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(C#N)cc1 786998815 FRSKBVZILSPXPC-UYAOXDASSA-N 429.473 1.029 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 790220650 LMERCISVWXZGJV-CTNGQTDRSA-N 425.460 1.565 30 10 IDEE C=CCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800576247 FOPDWOPFVKAIHU-KRWDZBQOSA-N 441.575 1.472 30 10 IDEE COc1ccc(C2=NO[C@H](CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)cc1C 802142764 DYEXZAPAULWVCL-DNTCVELPSA-N 427.461 1.322 30 10 IDEE COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802379753 OELCQIABVSWEQR-UHFFFAOYSA-N 433.476 1.165 30 10 IDEE Cc1ccc(NC(=O)COC(=O)c2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 803849410 FQSYEYHOOABMIB-UHFFFAOYSA-N 444.469 1.078 30 10 IDEE COC[C@]1(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 804787380 HPIPKYJRPCVSQT-RPBSFSNWSA-N 436.509 1.435 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 808113251 CBQHBNOODKVALQ-CQSZACIVSA-N 431.470 1.667 30 10 IDEE Cn1cc(I)c(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n1 1129101313 QEDVSJYICUOAFK-HNNXBMFYSA-N 432.262 1.903 30 10 IDEE COCCNc1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cs1 1136149476 MAQJLGYDSBSSHD-UHFFFAOYSA-N 449.558 1.149 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c1 1136482173 TVQRHKPWHUTSHR-UHFFFAOYSA-N 447.463 1.789 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](c2cc(O)n[nH]2)C1 1164322563 PQGSCVRLIJGHGK-AWEZNQCLSA-N 431.518 1.730 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1286274113 LYYBIIBQIHRYAG-WTCZBGTRSA-N 437.591 1.273 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1286324989 VWXBQNRLZCAYNN-GOSISDBHSA-N 433.516 1.710 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286390216 YQFJFBAKYUKKAF-HNNXBMFYSA-N 431.547 1.005 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C2OCCO2)c1)[C@H]1CCS(=O)(=O)C1 1286393291 JQAFYVODKSIQGZ-SFHVURJKSA-N 430.530 1.561 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1286754047 LOLLKJUALULYLQ-HOTGVXAUSA-N 433.534 1.907 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCNC(=O)[C@H]1CC 1286791114 UMCCRHNYXAUCQW-GOSISDBHSA-N 426.521 1.491 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)CC)C1 1286806589 WDFAKPMGGGBAAM-QGZVFWFLSA-N 448.545 1.932 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286967219 FMHGCAJHUBUCIT-QUCCMNQESA-N 438.580 1.802 30 10 IDEE CC(C)OCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1288376750 SHDQNLAVBJDXQO-IBGZPJMESA-N 429.569 1.782 30 10 IDEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 1294723719 SWPFIEBPJJRHJE-UHFFFAOYSA-N 446.529 1.510 30 10 IDEE CN(C)c1ncc(Br)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1296166511 HEYJONSBZWWBPV-PWSUYJOCSA-N 439.314 1.794 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)C)C2)CCOC1 1296662045 BAZPYRYLJQYHBL-XQBPLPMBSA-N 432.569 1.779 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1300356398 BVFLJRRYPYQXIB-IAGOWNOFSA-N 438.536 1.430 30 10 IDEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C(=O)NC)C1 1300423382 NPMJBZUZMAPSNC-LJQANCHMSA-N 427.505 1.620 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1300619612 ZEHLQWIRFBKJBS-DEOSSOPVSA-N 449.559 1.591 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1300654984 MRTCLIQREYMCKB-YLJYHZDGSA-N 436.520 1.558 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCSC1 1300664701 UOSXZPFTQOLMRJ-OAQYLSRUSA-N 440.529 1.548 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300709977 NGYCTSJYEBHNRS-QGZVFWFLSA-N 447.536 1.186 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1301040603 GVYUJUMKZOYZQX-HNNXBMFYSA-N 429.974 1.627 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301237531 SVTYEZMGDINMMU-KRWDZBQOSA-N 439.582 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(N)=O)C1 1301482345 VOCPEGNLFHFGBJ-ZIAGYGMSSA-N 432.912 1.685 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 1302257770 UWDWWRTTZHKUFD-GOSISDBHSA-N 429.498 1.768 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN1CCCO 1302644111 LWFWUYMIMGSSIM-SFHVURJKSA-N 425.537 1.783 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)cs1 1304675920 OWNZVDMQGKPEPH-SFHVURJKSA-N 432.550 1.948 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncccc1N(C)C 1314394368 ZSJDBKZKQNILFT-UHFFFAOYSA-N 447.547 1.917 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1314727136 PZBKMCWPVRKSPP-RBUKOAKNSA-N 444.561 1.919 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1318156321 MPUKWDUGJHTDTR-DEOSSOPVSA-N 448.527 1.886 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1C[C@H]1CCCO1 1323675997 ZPXTVLGJIWQXHZ-OAHLLOKOSA-N 446.598 1.696 30 10 IDEE C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1352153789 VOQBVVBCPOYLOV-UHFFFAOYSA-N 442.493 1.617 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)COCC(=O)OC(C)(C)C)cc1 1354360081 FZDWZKXPLUEFFG-LTGZKZEYSA-N 425.507 1.796 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1358927264 SEEGSXPAXBPNHF-GOSISDBHSA-N 436.564 1.718 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358961001 PYVPFGOKDKFTHR-FUHWJXTLSA-N 431.562 1.725 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358961835 FZAVXNYHJQIKKN-IAGOWNOFSA-N 449.577 1.063 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358963305 GCEDTUPRZZHELD-ZWKOTPCHSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC(C)(C)C 1358982320 RPFSHCMFTKNNAW-UHFFFAOYSA-N 426.546 1.647 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1359014784 WRZHWMVYSZRQQY-WOJBJXKFSA-N 430.597 1.820 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2([S@@](C)=O)CC2)CC1 1359047122 RSRQVJCHVVHFCT-SSEXGKCCSA-N 431.606 1.888 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1359165346 MUVCYYMQNBILGA-UWVAXJGDSA-N 439.582 1.319 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)C1 1359312326 RXYUSODKTFSDSZ-IEBWSBKVSA-N 442.568 1.600 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1359406383 CRTOITJKOXYCPE-YOEHRIQHSA-N 430.534 1.783 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@H](CC#N)c2ccccc2)CC1 1360102157 AWMXDTMDLOPOBL-HXUWFJFHSA-N 426.542 1.936 30 10 IDEE CCc1ccc(CN(C)C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1 1459211828 RPAWNTNPBXCGIW-UHFFFAOYSA-N 440.500 1.444 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)n1CCO 1459237165 LOZZVKMXQZVWOF-UHFFFAOYSA-N 430.770 1.493 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCO[C@H]1C(=O)OC 1461449751 WTHIVGIXRSJJJQ-BLLLJJGKSA-N 427.251 1.545 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC(=O)N2C)cc1 1462987391 FMNUGWWESMQYKW-HRDWYUFVSA-N 431.514 1.001 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)C1 1464502689 YQSZEEZULRFDFQ-ZDUSSCGKSA-N 441.340 1.915 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1469544406 GQQLKBNHFVDMOE-INIZCTEOSA-N 433.424 1.800 30 10 IDEE COC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 1469716422 MJJGPAXQMYCDNS-KPZWWZAWSA-N 447.444 1.331 30 10 IDEE C#CC1(O)CCN(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1471401511 ZFMMRKXWYPUSHX-INIZCTEOSA-N 435.521 1.489 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CC1 1471937578 MPKBJOLYAUZSMH-UHFFFAOYSA-N 433.574 1.700 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(c3nnc(N)o3)CC2)CC1 1473603242 BXDGMHUCSHRMRC-GOSISDBHSA-N 427.484 1.379 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@H]2CCCO2)CCOC1 1502681357 HFJMLPSAOTVGAG-DUXKGJEZSA-N 437.516 1.958 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1505324846 CJTYQXQYCMTCFO-UHFFFAOYSA-N 444.561 1.334 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507572422 JEYWNRHANRVMBH-UHFFFAOYSA-N 445.549 1.199 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccnc(OC2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1507624430 ADTBALMUWPCBEO-SFHVURJKSA-N 445.545 1.214 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1507632588 NVTRRUGGPZWFNF-MOPGFXCFSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507639768 MBEPRZILUUUKKJ-PMACEKPBSA-N 444.557 1.105 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1507713971 DNWUJAYUVJETQL-NRFANRHFSA-N 427.530 1.683 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1507773311 PPEPSGDBEJPMRJ-HNAYVOBHSA-N 442.607 1.386 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@@H]2C1 1507810486 ZRAJXNONNHGSMP-IHPCNDPISA-N 446.596 1.699 30 10 IDEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1507928667 LOJZLPFUJNAEKY-QRVBRYPASA-N 443.573 1.852 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COCCO1 1507995643 BBXFGLJALPZGBL-HXUWFJFHSA-N 436.516 1.994 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C)C1=O 1508025077 MWYRUOLDCBPTNG-QFIPXVFZSA-N 426.521 1.821 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1508097618 RYJQHCUOLPDPJZ-GOSISDBHSA-N 447.561 1.653 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1508105188 PSSHMZXQNHSLMP-DOTOQJQBSA-N 447.561 1.712 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)OC)C1 1508106420 YCLRNVQPXLYSBM-DLBZAZTESA-N 425.489 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508143018 ISQYPZZSOVEKNQ-KRWDZBQOSA-N 447.561 1.433 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1518957202 CHYZKIANANXUMQ-HFJQGTKSSA-N 438.532 1.567 30 10 IDEE COC(=O)CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H](C)C1 1520809979 BVTOMJAICIKRLC-ZBFHGGJFSA-N 432.908 1.660 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1539067685 IZZYKORIIBIWJO-UHFFFAOYSA-N 435.532 1.958 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539132665 QFEFYWJZCJSDBE-HXUWFJFHSA-N 427.597 1.419 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539147850 DEOMDWKWHNUTFW-KBPBESRZSA-N 428.559 1.119 30 10 IDEE C#CCN(c1nnc(CC)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539218560 AJVSOGCMJAIYCH-OAHLLOKOSA-N 446.520 1.298 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539219806 FPIUZUDRMNBOES-CVEARBPZSA-N 435.575 1.960 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1539611681 CHWDMYHEPXRFLY-MTNOOBJLSA-N 430.553 1.645 30 10 IDEE C=CCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540020145 GXLGLGPXLKFHEL-QFIPXVFZSA-N 434.585 1.495 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1541117297 CPHMKCQGIHPKOR-ICSRJNTNSA-N 438.580 1.802 30 10 IDEE CC(C)(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1541147169 MDVUAXKITMEULX-FXDIGPMBSA-N 441.536 1.349 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)cn2)CC1 1543133698 ZKNITTYKVVDIOR-YWEYNIOJSA-N 432.477 1.523 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCC(F)(F)C(F)F 1543318377 XWNHVKQRGZLSMH-GFCCVEGCSA-N 442.421 1.880 30 10 IDEE COc1cc(Br)ccc1CCCNC(=O)CCn1cc(C#N)c(O)nc1=O 1546102882 QELFQPSWXZBGHD-UHFFFAOYSA-N 435.278 1.731 30 10 IDEE CCC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1546921346 MWFKNOCTNQPISP-NBYUQASBSA-N 432.569 1.994 30 10 IDEE CO[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554590603 ASBDFGSUNGYVEZ-IDCNUPLLSA-N 432.550 1.667 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1 1556585707 CGECICHJRAQMPP-SNVBAGLBSA-N 428.308 1.934 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)CSc3ccc(C#N)cc3)CC2=O)C1 1558694530 SRWOSZPMXRWYAZ-OAHLLOKOSA-N 430.530 1.987 30 10 IDEE N#C[C@@]12CN(Cc3cc4c(cc3Br)OCCCO4)C[C@H]1CS(=O)(=O)C2 1560169172 ZONLNMYIFRUMHJ-GUYCJALGSA-N 427.320 1.981 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1561089906 ALGLTZRKELVOAZ-RBUKOAKNSA-N 434.562 1.920 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 1568773706 FCMCSSNDJKEWDW-HOTGVXAUSA-N 428.961 1.834 30 10 IDEE CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 1569676011 MYMPCRNVTSKPBE-LSDHHAIUSA-N 441.326 1.913 30 10 IDEE C=CCOc1ccccc1CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1586232328 VTGGYHYVZRUIMP-UHFFFAOYSA-N 438.527 1.250 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1586444438 ZHJBEYPIVIJIRY-IAGOWNOFSA-N 442.582 1.990 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1587749810 OFTUAFDBIPULPC-SFHVURJKSA-N 426.569 1.519 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1588045818 RERGHQLLEDOKKZ-AVRDEDQJSA-N 444.557 1.686 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1588050866 WLZLFOVVVRQUNZ-ROUUACIJSA-N 444.561 1.158 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1588138414 CHPUBKNQWPPKBP-KRWDZBQOSA-N 449.577 1.558 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1588384846 CQIZXGAUUFBCKF-LJQANCHMSA-N 431.562 1.622 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1595506711 KGZQWUSECGWUEZ-GASCZTMLSA-N 439.549 1.553 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1595550719 IGZCWXMXUVWMCT-KRWDZBQOSA-N 441.536 1.205 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)Br)C1 1595722530 KSHNPNSDMLMDRS-KGLIPLIRSA-N 431.356 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595797843 JSSWQJVHROXZBJ-KBPBESRZSA-N 438.472 1.888 30 10 IDEE CC(C)CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1606825587 AVQHDRKSSCAXAL-JOCHJYFZSA-N 426.521 1.852 30 10 IDEE CCCN1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1614870904 FPVGRHGQSUJDGF-CZIZESTLSA-N 429.525 1.377 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1OC 1616368584 XZXFFAFDSXEXBR-QZTJIDSGSA-N 443.504 1.887 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N(C)C 1620018615 GHVDVMNXSCLJFL-ROUUACIJSA-N 442.568 1.545 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@@H]1O 1620302258 WYABDFIJJUZPBG-APWZRJJASA-N 426.521 1.804 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CO)c3cccc(C(F)(F)F)c3)CC2)o1 1620497062 CUCJQHCXPZJREY-KRWDZBQOSA-N 437.422 1.845 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1624022601 DCRRXHAYPMTCQX-UHFFFAOYSA-N 445.335 1.791 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C#N)CO 1624090837 MJWQHPNFIRAJJQ-NOZJJQNGSA-N 426.347 1.394 30 10 IDEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)cc1 1624696308 RPYIIDPDWFMOMO-UHFFFAOYSA-N 427.482 1.822 30 10 IDEE COC[C@@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CN(C(=O)OC(C)(C)C)CCO1 1624912275 HAHDGMJXWACBRT-JOCHJYFZSA-N 445.520 1.254 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCN(CCCc2ccccc2)CC1)c1cc[nH]n1 1626378468 GQTXYSQZNYQRBH-UHFFFAOYSA-N 441.532 1.861 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1629506214 HKCCXGBODDISEE-HZPDHXFCSA-N 437.541 1.509 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1629993840 FDNGVZIVULMFTI-UHFFFAOYSA-N 440.569 1.840 30 10 IDEE C#CCOc1ccc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1633505927 GZUPBDLHBAYYJZ-UHFFFAOYSA-N 427.526 1.435 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 1634408524 IXTACRJWAMNFPK-AEFFLSMTSA-N 435.546 1.707 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1)C(=O)OC(C)(C)C 1637009956 CAQMKUDPGOVBMA-UHFFFAOYSA-N 444.532 1.648 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2S(=O)(=O)CC)c1 1645033909 GWLCIMLUGHPJBU-UHFFFAOYSA-N 434.539 1.364 30 10 IDEE C[C@H](CC(=O)N1CCn2nc(C(F)(F)F)cc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1646046775 SOIOTRCLRCCUEX-LLVKDONJSA-N 441.435 1.761 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)cc1 1647762945 UPSHNCGMFYJRNG-UHFFFAOYSA-N 447.538 1.432 30 10 IDEE COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1647788908 UARULZTZRJLJGK-OAHLLOKOSA-N 432.278 1.381 30 10 IDEE C#CC1(O)CN(C(=O)CCCc2nnc(-c3ccccc3I)o2)C1 1648357943 GJTFQIBJPWJYDP-UHFFFAOYSA-N 437.237 1.870 30 10 IDEE C=CCN1CC[C@H](N(C)C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1=O 1653435005 DLYUMMXROGCSLR-ROUUACIJSA-N 425.451 1.886 30 10 IDEE COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1654953931 CHSQWQAQYKKUFP-IKGGRYGDSA-N 444.532 1.212 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc23)CC1 1655475190 CJNBPHJVTRHNTD-UHFFFAOYSA-N 447.464 1.618 30 10 IDEE C#CCN1CCC(NS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1657038508 JTLBDVHQPUGUPN-FQEVSTJZSA-N 435.546 1.041 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CCCC1 1680664719 DVGVTMPWDGUMJB-YRNRMSPPSA-N 440.566 1.650 30 10 IDEE CC#CC[C@@H](CO)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1681378359 JMFOLOKGSNNBTO-ZDUSSCGKSA-N 426.311 1.651 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1685264835 SDELNALEFROJEC-HXUWFJFHSA-N 432.590 1.924 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1689989095 BDXFSSMZDNDNLE-HSALFYBXSA-N 444.557 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690729848 UCIPWDDDZZJWQM-AWEZNQCLSA-N 439.504 1.488 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1690782936 HNSLHXLOOKHPEI-FDDCHVKYSA-N 435.532 1.600 30 10 IDEE CCCN(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1695292255 KBWCXHJSNCHQBR-HOTGVXAUSA-N 449.581 1.569 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705510822 ZFABPNVWJTXLMB-MELADBBJSA-N 437.488 1.848 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1705523081 RSIDXRKZLXKDIV-UHFFFAOYSA-N 436.520 1.893 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705569110 ZKMOVJWTOOXYTD-VQIMIIECSA-N 432.546 1.543 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705641611 MPSUWLXVXFPXEU-QURGRASLSA-N 437.548 1.292 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705658609 UVHFJTGZIJJDMS-UHFFFAOYSA-N 449.540 1.777 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC 1705700461 UCDUZMACXXARCT-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728482 MFGRZWKHMNSHKO-JOCHJYFZSA-N 448.568 1.469 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1705844015 UGZJMSFYOHKMPU-HNNXBMFYSA-N 436.534 1.877 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1705900704 MVLWKKDSFLQQDN-DLBZAZTESA-N 440.552 1.559 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1705901133 BFLXXFUYIPOKOI-UHFFFAOYSA-N 426.525 1.281 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1705902433 FDEBWTVCLJQTHZ-LJQANCHMSA-N 444.580 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705934420 LZSDOVHJNLZLIR-UHFFFAOYSA-N 429.546 1.918 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705940010 SKDIZTJJRZEZIZ-UHFFFAOYSA-N 449.625 1.080 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1706602953 FEHYABHMRPEBHN-NRFANRHFSA-N 442.499 1.138 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CCOCCS(C)(=O)=O)CC1 1706937312 IZKWLWAXUXTRAU-INIZCTEOSA-N 425.555 1.363 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)CCC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1707819014 DKJIHNHOXFXXGS-QZQOTICOSA-N 438.536 1.902 30 10 IDEE Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1707912526 XDQDLXPPKDJOCX-AEFFLSMTSA-N 425.537 1.916 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1708663984 DLNDHPSBRWWDBK-OALUTQOASA-N 438.532 1.831 30 10 IDEE CCCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1709844089 DLEUJOYCMPHNDK-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(C)(=O)=O 1710568530 GLQLPSHMDXMUJC-OAHLLOKOSA-N 435.506 1.029 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1712076768 JPSXZVPWSNIERA-NCJSADBTSA-N 425.493 1.661 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722324628 VNJPOVGKRFCNPI-MGPUTAFESA-N 435.525 1.539 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc2ccccc12 1722352992 RCYPRNUWQRILMB-QGZVFWFLSA-N 445.570 1.943 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCN(C)C1 1722377720 FHCCRRMEXVPRRR-FQEVSTJZSA-N 428.334 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2nccn2C(F)F)CC1 1722445847 YUFBLNIBKRPUHT-UHFFFAOYSA-N 440.458 1.946 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722447285 HFFOSDOHQCNXFQ-QUCCMNQESA-N 442.564 1.006 30 10 IDEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722535708 FNZHYKCZJTYFOU-QGZVFWFLSA-N 442.520 1.672 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1722574966 UNYUYNDNLYOFEJ-VPWXQRGCSA-N 439.582 1.629 30 10 IDEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722618757 MYSUPLCUMUBZLA-UHFFFAOYSA-N 427.538 1.232 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1722638740 LTDWYBHAPLPFTE-UHFFFAOYSA-N 437.548 1.925 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722697624 NCKUIMHGHGYRRO-AWEZNQCLSA-N 427.431 1.529 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nnc1C(C)(C)C 1722703950 MEGFPGJVOXJPIJ-UHFFFAOYSA-N 431.629 1.873 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722705965 KPXYWZRYVLAUAR-NRFANRHFSA-N 428.468 1.157 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)NC)C1 1722721259 RVVXYOKLGXBMEE-GOSISDBHSA-N 444.561 1.612 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1723635804 AVIFMGAXVSFBHJ-UHFFFAOYSA-N 425.537 1.940 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCCC2)CCOC1 1723693173 RONBYHHWMYKGTL-DENIHFKCSA-N 432.569 1.923 30 10 IDEE Cc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1724303129 SNNBSKBZMHMICQ-MYXCPXAOSA-N 439.476 1.040 30 10 IDEE COCCN(C)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1730734587 KZEICOFMJDCZPZ-UHFFFAOYSA-N 426.569 1.747 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1740553419 RYCFEVIERRQRJG-MJGOQNOKSA-N 447.561 1.456 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740558983 ZAMQFYSWYREMOJ-DOTOQJQBSA-N 435.525 1.878 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1n[nH]c(C)n1 1740560476 JPEYHUQEWOSGKA-IBGZPJMESA-N 447.591 1.770 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740576866 KDBAFJOBMYHBGF-IBGZPJMESA-N 428.581 1.894 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCN(CC)CC1 1740613233 YTKUBJRANFPILP-KRWDZBQOSA-N 429.594 1.365 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740624518 JMLFJPQTMPJLIJ-MSOLQXFVSA-N 432.546 1.561 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740627584 RAMWVAYPJZYJJP-ZHALLVOQSA-N 435.594 1.282 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C(N)=O)nc1 1740629914 AYYNFJZGPLIANE-UHFFFAOYSA-N 436.479 1.950 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740674858 WBBVEEHLQBEKCS-MRXNPFEDSA-N 435.525 1.737 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCNS(=O)(=O)c2ccccc2)CC1 1740691199 WXIYIDIULOVZKS-GOSISDBHSA-N 430.578 1.525 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740822958 SJPXORRXAQRHCN-ZJIFWQFVSA-N 445.973 1.082 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCOCC1 1740891227 VVVYRTWKCUARIQ-KRWDZBQOSA-N 448.593 1.391 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740955549 XMIVKDGPHSGESZ-LJQANCHMSA-N 435.532 1.277 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740958444 PFIUUWJGNLMJRO-IBGZPJMESA-N 427.553 1.957 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740959392 TYXPTUAUWZQAGJ-QGZVFWFLSA-N 426.521 1.725 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CCCC2)C1 1740969981 DIHAVJGGYJVUDF-MRXNPFEDSA-N 439.582 1.555 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3CCCCCO)CC2)c1C#N 1742669710 PUHWEMADHGQINB-UHFFFAOYSA-N 435.536 1.743 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743757488 QOSGHACQXGGQJX-YSRXLGAZSA-N 438.536 1.495 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCN(CC)CC1 1744050143 BEMPOOKQQHRCJW-QFIPXVFZSA-N 448.591 1.666 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1 1747933761 KNNYDIABYDMIBN-UHFFFAOYSA-N 433.520 1.736 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748777013 VRZPQHBHSZHTPX-MRXNPFEDSA-N 433.534 1.456 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748814970 MGLPWTXILKISJM-PKOBYXMFSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748817846 RKDFOYJVRIIEKF-RBUKOAKNSA-N 444.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748825710 CQYUUKSUDXYYDY-IERDGZPVSA-N 446.504 1.180 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1748914587 HRLPUVHDXVROFF-NRFANRHFSA-N 447.561 1.460 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@]1(N2CCOCC2)CCSC1 1748956602 UXLJIUZFGQINER-JOCHJYFZSA-N 444.605 1.578 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C2CC2)CC1 1748999193 LRGJGBPLNIFVCM-LJQANCHMSA-N 433.560 1.967 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749048632 SGYCGLFXRPIWGD-DYESRHJHSA-N 435.594 1.648 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682576 VRBJBLUOMJAGCV-XXBNENTESA-N 447.580 1.874 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](F)COC)C1 1749701467 UPNZFDSWLFKSMF-WMZOPIPTSA-N 428.472 1.687 30 10 IDEE CS[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C 1750246200 DQFWOSNEQRIWNH-MGPQQGTHSA-N 430.600 1.395 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNc1nccc(C(F)(F)F)n1 1760171766 PNKKUIYKPDHCGT-UHFFFAOYSA-N 448.409 1.996 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760187007 SHSYZPHMLSEXNA-WIYYLYMNSA-N 434.537 1.796 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1760245773 LPVWNDWVHSYKLF-FPOVZHCZSA-N 448.531 1.988 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)OC)C1 1760355773 VUNKKLFNNAYDQE-OAHLLOKOSA-N 431.493 1.988 30 10 IDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760476461 UAIPFEUJNIWCTN-KRWDZBQOSA-N 433.582 1.576 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760517732 WGDHLBBVHRLEPT-OAQYLSRUSA-N 446.458 1.565 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1760525650 MKBKIZQRSPAFDI-XMMPIXPASA-N 432.528 1.972 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NC)C1 1760543938 WNAUNXOZESMJRK-SFHVURJKSA-N 440.552 1.370 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1761448367 ZNMOYSRAGTZVOO-YJBOKZPZSA-N 433.534 1.492 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1762448439 WYHCTANPKJULTH-IWKHNONTSA-N 438.536 1.902 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CCC(=O)N(C)C 1763043624 HAPLLCQTMUDFQE-MRXNPFEDSA-N 448.535 1.139 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1766878136 UEPDXQUSBFAIDU-KRWDZBQOSA-N 434.504 1.544 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1767943345 BBHDZURYTMDSGK-UHFFFAOYSA-N 427.509 1.283 30 10 IDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c(OC)n1 1768681178 DUUKOCIHUYZHPR-FQEVSTJZSA-N 429.456 1.303 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1Cc1ccc(C#N)o1 1771221005 LMKCFNQFAXXDRZ-JLTOFOAXSA-N 430.465 1.546 30 10 IDEE Cn1nc(C(F)(F)F)c(C#N)c1N(Cc1ccccc1)C(=O)C1CN(S(C)(=O)=O)C1 1851171217 XTCNAUODPFRDRF-UHFFFAOYSA-N 441.435 1.735 30 10 IDEE Cn1c(=O)ccn(CC2CCN(C(=O)C3CCN(c4ccccc4C#N)CC3)CC2)c1=O 1853053345 OFEFXKVDMMJKEW-UHFFFAOYSA-N 435.528 1.574 30 10 IDEE CCc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)s1 1858323093 DMCBFJKOAAEDJE-AWEZNQCLSA-N 425.557 1.924 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858338318 XQTKYAHTAPJJGD-INIZCTEOSA-N 435.527 1.698 30 10 IDEE Cc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cc1 1870099068 MPOHCGVBUZYUSF-UHFFFAOYSA-N 437.529 2.000 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1OC 1870143043 SOLDHIYNTOGYBA-LBPRGKRZSA-N 446.423 1.779 30 10 IDEE C=CCn1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)cc1CN(C)CCO 1870589650 HHEBOCAULWWPHY-UHFFFAOYSA-N 431.445 1.812 30 10 IDEE C=CCN=c1nc(Nc2ccc(OC(F)(F)F)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871573334 GIBZQVIMOMUILI-UHFFFAOYSA-N 439.442 1.648 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NC[C@@H](C)O)ncnc21 1873628098 RWUZRBKRXCLZOC-GFCCVEGCSA-N 434.456 1.888 30 10 IDEE C=C(CNC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O)B1OC(C)(C)C(C)(C)O1 2020862365 PPJRMGQMNZYIKJ-VLIAUNLRSA-N 426.319 1.023 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)=C[C@H]1O 2022935100 OHJHMIKZKNOJMB-ARFHVFGLSA-N 436.509 1.542 30 10 IDEE C[C@@H](c1nnnn1C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1 2069568610 NGGDZZKMHDGUQN-HOCLYGCPSA-N 444.565 1.361 30 10 IDEE C#CCn1ncc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2106094147 VWNNYALRRHFWQV-YPMHNXCESA-N 427.299 1.279 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224100667 RCYFTZSCISDPSS-UHFFFAOYSA-N 432.330 1.292 30 10 IDEE Cn1cc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2243423807 GEULGTVZTRHGLL-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247835696 OWILNYWEUCQQHI-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[nH][nH]1 2267268693 XWLIJCLLCSURFY-UHFFFAOYSA-N 444.301 1.198 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267268890 AOWGAEOJACNIQK-DLBZAZTESA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267278683 DYXPVHSGADUZAQ-IAGOWNOFSA-N 447.341 1.793 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267546593 YUDOPSUVIBADHR-KGLIPLIRSA-N 449.361 1.347 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCC1(NC(=O)OC(C)(C)C)CC1 2267580965 MDMYDDWBKQARCE-UHFFFAOYSA-N 449.361 1.682 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268629272 UKGIIWWFRHKZIM-LSDHHAIUSA-N 447.341 1.937 30 10 IDEE CC(C)[C@@H]1C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OCc1ccccc1 2370731323 IAPMXJNVVQIADV-CNNODRBYSA-N 434.558 1.693 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc2C1=O 16984293 IBQHQWQPCYBCFF-CYBMUJFWSA-N 433.420 1.999 30 10 IDEE CCN(CC)CCCNC(=S)N/N=C1\C2CN3CCN(C2)CC1(c1ccccc1)C3 20608600 ZSKPETNMNRRBAG-NJNXFGOHSA-N 428.650 1.737 30 10 IDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc(OC)c2O)n1N 21318816 XSQHDBYCJKTAPQ-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE COc1ccc(/C=C/C(=O)N2C[C@@H](NC(=O)c3cccnc3)C[C@H]2C(=O)NO)cc1OC 40897924 AKOSAZUQCGCWJD-IWDGFTLQSA-N 440.456 1.017 30 10 IDEE CCOC(=O)C/C(C)=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 59365121 XFNPFRIKDJTZPM-USQUCKOTSA-N 438.488 1.888 30 10 IDEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 102751568 SQUSGZHKTMILTI-GOBJLOIFSA-N 441.459 1.983 30 10 IDEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@H]1CCS(=O)(=O)C1 111047008 XKNWXEQWVVCLJT-AWEZNQCLSA-N 441.435 1.347 30 10 IDEE CCN1CC[C@H](NS(=O)(=O)N(CCC#N)CCOC)[C@H]1c1cc(F)c(F)c(F)c1 409511307 WNTTXUOOVIMXMX-FUHWJXTLSA-N 434.484 1.936 30 10 IDEE CS(=O)(=O)NCc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)o1 440581394 SDKNHOQQJGOWAB-OAHLLOKOSA-N 434.499 1.354 30 10 IDEE N#Cc1ccc(C2(C(=O)NC3CN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)CC2)cc1 444288403 LTNYFVXBMJSKIV-UHFFFAOYSA-N 439.493 1.550 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)ccc2Br)CC1 474039088 SHPIXFOYBRMSRU-UHFFFAOYSA-N 432.340 1.066 30 10 IDEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)C1=O 474388063 DKOAYGHBZFSMRL-SJORKVTESA-N 433.530 1.893 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)CC1 474507653 XKHODFLVKHLGAT-WOJBJXKFSA-N 427.593 1.772 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 508860017 XXTIEOQBLJWWNF-HXUWFJFHSA-N 429.521 1.891 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 512960519 MCQYIALMOBAJHN-IBGZPJMESA-N 446.511 1.947 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccon1 532194574 WKPXTDKVGKCFME-UHFFFAOYSA-N 436.449 1.727 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 549296365 IUQRFPYFWOABTG-HXUWFJFHSA-N 429.550 1.531 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 584754985 BHZCSXMDZVHMKE-INIZCTEOSA-N 445.491 1.832 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCC(Oc3nccnc3C#N)CC2)cc1 585355666 NDTJQLQLMYNOPP-UHFFFAOYSA-N 429.502 1.719 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCCCN2CCN(c3ncccn3)CC2)ccc1Cl 609196643 QVWAWIAXDUNGDD-UHFFFAOYSA-N 434.953 1.882 30 10 IDEE CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1I 694944425 JABKZIRLEMRIRV-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1C 728557006 CCUOCFVHEHMOFM-SFHVURJKSA-N 442.585 1.555 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccccc3SCC#N)ncnc1-2 729459812 WSHPGKXKYATRKO-UHFFFAOYSA-N 446.334 1.957 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 730144298 ZEXSCNXSOILBDX-GOSISDBHSA-N 433.578 1.521 30 10 IDEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 731887590 CPJPGIHLQQPZFA-QMWCZEAPSA-N 430.530 1.489 30 10 IDEE CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCN(c2ccccc2Cl)C1=O 732468156 DWESLQHIPFUUAA-HEWTWTGNSA-N 431.880 1.613 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccc(F)cc1 732560892 BIPYPHUSOZRMII-UHFFFAOYSA-N 425.489 1.284 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)CCN1C1CC1 732708878 WJINWRPBBNLBGA-INIZCTEOSA-N 429.908 1.713 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccccc1C#N 735068242 GEHFUDYNOLZJIU-UHFFFAOYSA-N 446.536 1.406 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 750384415 HNMFCZHANOCMKQ-KRWDZBQOSA-N 441.465 1.538 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1 763937660 NRPNNUMGLYCCBB-MUNYZGMTSA-N 435.506 1.558 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1C#N 774955130 JOCMSGNQRDJYQO-UHFFFAOYSA-N 435.528 1.117 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C3CC3)c2=O)c(C)n1 781659353 XSEQRCUSYKIQBA-UHFFFAOYSA-N 438.553 1.827 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 788207384 XTYXTJQPFJRELU-DLBZAZTESA-N 433.530 1.490 30 10 IDEE C#CCN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 795466384 AULUYSBBMHAHCQ-ZDUSSCGKSA-N 444.307 1.442 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 799087064 IIQFGVNVYFPQDJ-OXQOHEQNSA-N 425.510 1.518 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(Br)n1C 804943254 BMYNVUQADBBENH-UHFFFAOYSA-N 425.312 1.269 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccn(-c2ccc(Br)cc2)n1 815555800 IFQXGRLWTHZBAU-VLGSPTGOSA-N 430.262 1.891 30 10 IDEE C=CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)O 1116921466 BMESVFUMCVIDPB-KGLIPLIRSA-N 431.308 1.748 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(=O)NCC#N)c1ccc(Br)cc1 1128801247 HQMZOGBRQCHFHJ-CQSZACIVSA-N 425.283 1.771 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)COc1ccc(C#N)c(Br)c1 1136557288 YGHGRUDDIFPCTE-KRWDZBQOSA-N 437.338 1.758 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1153313399 LIJAOUNUNJLTJS-HNAYVOBHSA-N 426.535 1.594 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1161848681 IMQYVZRKMYPTHJ-KRWDZBQOSA-N 443.529 1.733 30 10 IDEE C#CCONC(=O)[C@@H](CCSC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 1166327009 DNQCVXDRTCJNEK-OAHLLOKOSA-N 447.966 1.123 30 10 IDEE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(N)=O)C1 1169487405 QXQDBKIVKBOXGM-NRFANRHFSA-N 449.507 1.919 30 10 IDEE C#CCN(CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)C(C)(C)C 1176281746 PIUGKYFHVMCASO-UHFFFAOYSA-N 441.532 1.293 30 10 IDEE C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1Cl 1189868962 KOSNCVAVGYZTJZ-ZDUSSCGKSA-N 446.891 1.754 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)C1 1226357908 DCVMJRCTXAYLAG-OAQYLSRUSA-N 447.624 1.661 30 10 IDEE C#CCN(C(=O)N[C@H]1CCOC[C@@H]1OCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 1226547338 OTHCXVFRBIXCEE-OALUTQOASA-N 439.553 1.851 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1286386850 IMCAOOMUYFFVEE-GOSISDBHSA-N 444.561 1.158 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1COCCO1)C1CC1 1286734499 BMSDJFHSBZLSNM-SFHVURJKSA-N 447.561 1.766 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1 1286787774 JJYQIWFXWZFXLC-GJZGRUSLSA-N 427.596 1.060 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)CC1 1286790518 UBMIJSPRAJEYJU-UHFFFAOYSA-N 430.578 1.534 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C(C)C 1286820446 LQSWFTNNANFQTL-CVEARBPZSA-N 430.596 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]3C[C@H]2CO3)nnc1[C@@]1(OC(C)C)CCOC1 1286824739 HREBXVKAHRYFIV-ABSDTBQOSA-N 440.566 1.287 30 10 IDEE Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)s1 1289855556 FXPCWYRQTLSNNR-DZGCQCFKSA-N 438.579 1.869 30 10 IDEE CCOCc1nnc(N2CC[C@]3(CCSC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297188858 PKYYQYWTNATXED-PCYKQNFTSA-N 432.550 1.674 30 10 IDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1299401274 ACMRQJPUMUHHOD-UHFFFAOYSA-N 447.517 1.163 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2c[nH]nc2C)CC1 1300724642 AKUJZWLQHLZIDE-IBGZPJMESA-N 425.537 1.412 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300915545 OFLKVOXKWGSRTH-NQIIRXRSSA-N 448.545 1.743 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)C2CC2)CC1 1301492106 XTZZQOOLMNPFJL-UHFFFAOYSA-N 426.496 1.881 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)C1 1302983310 WXWCMCFGTDTROD-UWJYYQICSA-N 433.532 1.079 30 10 IDEE C[C@H](O)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1303889833 HXTFKVULKJKNPH-CABCVRRESA-N 432.550 1.730 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1304148473 KLNJHVYCBJXLKS-CABCVRRESA-N 435.525 1.430 30 10 IDEE COCCOC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1316226377 ZQINKHHBVJYVNY-ROUUACIJSA-N 435.525 1.113 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358962585 SHIOSINGUIGMIN-RTBURBONSA-N 437.610 1.877 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)cc2)C1 1359313733 QNZTYXJSKFKUQD-XXBNENTESA-N 441.532 1.859 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359341943 LDWFXNSCVYRHQA-GOSISDBHSA-N 444.609 1.594 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cccc(O)c3)CC2)s1 1440775183 XRTSLIQQCIKFAV-UHFFFAOYSA-N 435.571 1.805 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1469870828 IXIBXBQOEPZUNQ-QXMHVHEDSA-N 427.526 1.913 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1470619960 IVZPINJNUDGHRS-INIZCTEOSA-N 435.496 1.726 30 10 IDEE CN1C[C@@]2(C)CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@@]2(C)C1 1470676255 WYNCCEGZIBAKPZ-SZPZYZBQSA-N 430.574 1.759 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1470960558 YTYGYDLSYHEDKV-ZWKOTPCHSA-N 436.553 1.668 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC4(CC3)C[C@@H](O)CCO4)C2=O)cc1 1472016541 MQJVZORWLCDBRL-ROUUACIJSA-N 426.473 1.296 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(O)CCOCC2)c1 1507549827 QAVPOPMNOVSKJE-UHFFFAOYSA-N 446.511 1.938 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1507633417 DMBNTNQANVADJI-HNNXBMFYSA-N 448.599 1.765 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC1 1507654462 GXOINFLQEGSKSH-UHFFFAOYSA-N 430.512 1.666 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc3c(c2)C(=O)NCC3)n1 1507715603 AFBIDZNBBJDAJU-UHFFFAOYSA-N 433.516 1.403 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1507752121 VLMWMPCVEFLSOV-QGZVFWFLSA-N 432.594 1.923 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1507791927 BZUUGQQIKJNYNG-CXAGYDPISA-N 428.331 1.506 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1508072912 HXNOHZCOSATFPV-OAHLLOKOSA-N 445.499 1.321 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1509746407 GYQYFOSEJKFDNW-UHFFFAOYSA-N 439.564 1.888 30 10 IDEE COc1ccc(NC(=O)c2cnn(CCC#N)c2C)cc1S(=O)(=O)N1CCOCC1 1529875435 FVMXUGMPQVFDDL-UHFFFAOYSA-N 433.490 1.387 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1 1535349585 HSBKTFLBOBGELS-KSFYIVLOSA-N 444.536 1.707 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1537842016 GPQFRSQMRRGCSX-MRXNPFEDSA-N 434.541 1.761 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1539078711 FKSMYGRGXCJECI-INIZCTEOSA-N 426.546 1.884 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1539556288 AOFZHHXPODNBIU-FXAWDEMLSA-N 431.518 1.332 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cscn1 1539615512 JOXCRIGIKNVMFO-LZWOXQAQSA-N 440.595 1.962 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1539967846 VBXRHULEIDGHQF-QZTJIDSGSA-N 441.598 1.973 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1540043834 JDMMHIJPDWDWGA-OAQYLSRUSA-N 443.577 1.756 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OC)C1 1540892755 QYBXQBCZEKTDRR-IAGOWNOFSA-N 433.534 1.413 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1543008584 LIPIGTIPTJVMIC-HNNXBMFYSA-N 431.522 1.522 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CC(=O)c4ccccc4O3)C2=O)cc1 1544633267 NUGGAOKSOKQQIT-AEFFLSMTSA-N 432.436 1.913 30 10 IDEE CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1547325964 DVBYGBIPUKXNTP-ZPHPHTNESA-N 444.517 1.331 30 10 IDEE CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1548166421 ZDWKRGBCKMJFKR-SFHVURJKSA-N 427.509 1.070 30 10 IDEE Cn1cnnc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1554351954 JQSNUUDPIOOLEJ-GFCCVEGCSA-N 429.282 1.613 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2F)CCO1 1555994570 IZCJQHGMLDKXGW-AWEZNQCLSA-N 434.422 1.789 30 10 IDEE C=CC[C@H]1CCN1C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1558703931 CXPHLJKBYYFWTR-SFHVURJKSA-N 437.500 1.231 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1564981711 XYWRWALRENFUJF-UHFFFAOYSA-N 427.530 1.693 30 10 IDEE CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1567646150 SIKBMHIEKGKIAX-UHFFFAOYSA-N 429.412 1.568 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1569024012 QYIQYXKDWXHZOY-CABCVRRESA-N 443.447 1.081 30 10 IDEE C#CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1569241690 YRFNGMPLQKMPPM-UHFFFAOYSA-N 429.498 1.642 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1587563173 YOKXJGPJZAPVOZ-DLBZAZTESA-N 445.593 1.780 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1587626265 JOBDAVDAZUQGRL-IEBWSBKVSA-N 436.564 1.272 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1587755067 SHSSDDSSZAFAGV-IBGZPJMESA-N 436.564 1.672 30 10 IDEE C=C(CC)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1587993308 CGGKKWPVCYKLTD-UHFFFAOYSA-N 429.926 1.724 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1588138294 BXYXMGAROUQMLF-GOSISDBHSA-N 443.598 1.373 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C(C)C)N1CCOCC1 1588149196 JABVMZVSJQVKSC-JOCHJYFZSA-N 445.571 1.946 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)OC1CCCC1 1595529968 ODZFQUZKBOUBOO-UHFFFAOYSA-N 447.565 1.851 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1611614488 YUBOHVSXQPTWHL-OAHLLOKOSA-N 429.458 1.238 30 10 IDEE COc1ccc(CN2/C(=N/c3ccccc3)S[C@@H]3[C@H](C(N)=O)C[C@H](O)[C@H](O)[C@H]32)cc1 1616175244 SBOHTMZECCKYNI-ZJTYFPBTSA-N 427.526 1.896 30 10 IDEE CCOCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1617206777 WFLBHBLSAYLFBQ-QFIPXVFZSA-N 441.536 1.560 30 10 IDEE COc1cc(N2C[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)cc(OC)c1OC 1617947728 RDRKFWJNOVODNU-OAHLLOKOSA-N 444.484 1.930 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1620176546 FPRGWQUHMAFCRJ-IBGZPJMESA-N 444.561 1.619 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)CC1 1622584348 IBFLVKVNLJFCAY-UHFFFAOYSA-N 431.480 1.674 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C3CC3)[C@@H](CO)C3CC3)CC2)cc1 1628155338 HYGJJFLOGZHIOE-SFTDATJTSA-N 431.558 1.872 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4ccnc4O)cc3)CC2)cc1 1629484761 CSWSGRKLNOYFEU-UHFFFAOYSA-N 437.481 1.596 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)CC1 1634876347 LTYVZXLPNCCWEY-UHFFFAOYSA-N 440.544 1.420 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1635159016 QOMZVTINKPPARE-MRXNPFEDSA-N 444.488 1.505 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c1 1642687090 MXUGYGHRYHTGNU-RBUKOAKNSA-N 440.525 1.243 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1 1644284721 DKGGIWSKRAHABY-UHFFFAOYSA-N 442.541 1.440 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1651755459 LZPOHJSHGKXOBU-SFHVURJKSA-N 430.486 1.273 30 10 IDEE C#CCN1CCN(S(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)CC1 1662869645 XWQDRIUDFKAMDH-UHFFFAOYSA-N 429.336 1.874 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1689990417 OCDSTQIHEYHHMV-DLBZAZTESA-N 440.591 1.163 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1690196408 JFXAPMLHFRFNRC-JOCHJYFZSA-N 441.557 1.867 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1690300692 IGNTUMFSSDPIBP-INIZCTEOSA-N 427.571 1.630 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1690408834 ZLNDFPMCZJMXJB-UHFFFAOYSA-N 431.522 1.783 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1690597211 MPVAIKJMOXVQLU-IBGZPJMESA-N 447.561 1.738 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1690675329 XHPXLWBFKJOHSQ-UHFFFAOYSA-N 440.504 1.110 30 10 IDEE Cc1c(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cnn1C 1692942278 GHPBAXVRPWUTSP-INIZCTEOSA-N 434.552 1.944 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1Cc1ccc(C#N)o1 1694356963 IRMOWZPUALSLHO-CQSZACIVSA-N 427.465 1.350 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696229435 XWJXPVISXAQMHT-RWNPKEDZSA-N 437.504 1.872 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1696765567 DXYIGDNVXIGDPX-KRWDZBQOSA-N 445.545 1.779 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1697001649 XQZIHASHMJKTFZ-UHFFFAOYSA-N 430.516 1.977 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1697011635 RTNBIWFEEBSSST-LJQANCHMSA-N 439.520 1.474 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC=C(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1698144193 NSGUNAPQKHDDEM-OSCRUYLVSA-N 430.509 1.685 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705544294 LEXQJHDFPBLUBB-QGZVFWFLSA-N 433.516 1.900 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705560946 ORUIUQCKPFSSJJ-BRWVUGGUSA-N 442.607 1.386 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC 1705601234 CQAJQPORDZCLOX-UHFFFAOYSA-N 433.559 1.167 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1705629132 YAULYNFRYFMQGI-MRXNPFEDSA-N 436.509 1.462 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728398 JCRPBRYCUYSZCG-HSZRJFAPSA-N 448.612 1.885 30 10 IDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705771527 XPMBSUXHCUXCLP-GOSISDBHSA-N 433.582 1.578 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OC)C1 1705896604 RTYLKIOGHMIPAQ-INIZCTEOSA-N 433.534 1.266 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)C1 1705917468 WQDBREGEPPXYCZ-ZBFHGGJFSA-N 436.538 1.122 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCOCC2)C1 1705926815 LFJCZXBQCAJXPM-GOSISDBHSA-N 426.521 1.327 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1705931564 UAANDFOEXXYEJX-UHFFFAOYSA-N 449.533 1.443 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705933857 UBGKUULXCXWJHD-INIZCTEOSA-N 431.562 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705934480 NUKJBLQLTSONHZ-GOSISDBHSA-N 446.577 1.554 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1706044198 HWFPRIHLGOGDHT-UHFFFAOYSA-N 434.508 1.246 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1706229266 CNANCHGNULACDF-QUCCMNQESA-N 449.559 1.941 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CSCCS2)CCOC1 1706678136 CLZKCSKWIQYCDA-JTDSTZFVSA-N 439.607 1.896 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C2CC2)c1 1706890179 MIEWIZYZAGMQKM-KDOFPFPSSA-N 430.534 1.543 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1709815205 JHVNSBHGZNKXFZ-YOEHRIQHSA-N 425.493 1.485 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1710329437 BYGRPSCGIAXELN-UHFFFAOYSA-N 437.479 1.855 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)C[C@H]1O 1711459934 MPIKIVATVRSSFK-SMMRIJLZSA-N 439.516 1.992 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722341593 JGWSBCFQGVPTDY-LJQANCHMSA-N 436.516 1.749 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722366896 STKMBNLXRMNJSG-IBGZPJMESA-N 439.545 1.096 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(OC)cc2C1 1722691285 PUOBPCREEYYYMX-UHFFFAOYSA-N 447.499 1.799 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1722958719 JRQWBMMSZDCIFO-HZPDHXFCSA-N 426.512 1.951 30 10 IDEE Cc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1724303128 SNNBSKBZMHMICQ-IRXVASQBSA-N 439.476 1.040 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1740580594 CRRBFPGREJALTA-HUUCEWRRSA-N 438.579 1.645 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCNC(=O)OC(C)(C)C 1740601329 UTLOJHDOKREZSX-CQSZACIVSA-N 428.559 1.263 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC(C)C 1740610666 IJXGXWQNOMVVGB-MRXNPFEDSA-N 429.612 1.460 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1740628370 XHJJWPJSFXJZMI-ZWKOTPCHSA-N 436.578 1.647 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1740651852 MQDRAKBMRCXCCR-UHFFFAOYSA-N 438.557 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1740703105 GKXPDCAQUKWFND-HXUWFJFHSA-N 440.548 1.527 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740712575 MKIBWAPUEDNSOF-OAHLLOKOSA-N 428.518 1.686 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1740731809 IIWYMRCWCSQSAJ-YLJYHZDGSA-N 431.518 1.332 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1740821040 BEPRPDQFYVJHKX-GJZGRUSLSA-N 433.962 1.226 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1740955537 XCTISPRSHZUCKX-INIZCTEOSA-N 443.504 1.654 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740992701 LUORTLLBEDHBQT-KRWDZBQOSA-N 449.508 1.250 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1741116628 ODVFVLJCZVUFKZ-SFHVURJKSA-N 430.534 1.214 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1741129591 FMDRRVVBKXOHMW-OAHLLOKOSA-N 431.504 1.764 30 10 IDEE COC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748363174 ZTDPWWBQLRBJHH-QGZVFWFLSA-N 442.568 1.837 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)CC 1748650159 YFARCSZTQNGITE-LLVKDONJSA-N 429.344 1.433 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1748738669 LVJLNVSLQZJNQI-FQEVSTJZSA-N 436.520 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1748897117 UDBBNKALBYDVBR-MRCUWXFGSA-N 449.540 1.623 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](CCC)OC)CC1 1748986560 BYWYYBZQOMDSNZ-GOSISDBHSA-N 449.559 1.762 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749230042 TVLSQUXHSWQWCX-SJORKVTESA-N 444.540 1.297 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCc2ccccc21 1749489561 YJTUALDFYAADBK-RXVVDRJESA-N 447.561 1.067 30 10 IDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1749496834 WJXRXCRARAISOJ-UHFFFAOYSA-N 439.545 1.519 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(C)c1 1749650937 JTOGELSSRAYZOJ-SJLPKXTDSA-N 446.577 1.840 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1749958358 YGAVYQYUHNGGLW-KRWDZBQOSA-N 434.541 1.381 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 1750381858 HZUOUHKDBQZGGV-OAHLLOKOSA-N 433.438 1.637 30 10 IDEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)N1CCOCC1 1750595271 BXLPAPZCWHHYJR-LJQANCHMSA-N 429.569 1.497 30 10 IDEE C[C@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1751985208 AZVWRXISFDJPAW-MFEFFIJZSA-N 438.532 1.947 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760185101 PQDBJLFTYWOZQD-LNLFQRSKSA-N 429.546 1.782 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1760195446 BXSGJNYLOYQOBI-NRFANRHFSA-N 427.530 1.495 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1760307677 UVENEOFELAJCCD-CYBMUJFWSA-N 432.344 1.286 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760407258 YJKIPJMGCRPQJF-ZNMIVQPWSA-N 440.570 1.425 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCC(OC)CC1 1760464855 QOMKZAIDYUPCSI-ABHNRTSZSA-N 441.598 1.829 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCCn1cnnn1 1760482283 DYRMIUYYKZOVDC-UHFFFAOYSA-N 439.499 1.923 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 1760520094 CADKGIIBXGSGML-UHFFFAOYSA-N 436.520 1.316 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)C1 1760533603 JFNRONCVEZHUQB-SFHVURJKSA-N 438.532 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C(N)=O)c1 1760552278 JBPVFEONNTZEDQ-UHFFFAOYSA-N 428.518 1.609 30 10 IDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1764554371 FZLVDCDJBFZTRT-UHFFFAOYSA-N 439.520 1.314 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCO[C@H](C)C1 1766714366 ARMBSIPCALNYHL-MRXNPFEDSA-N 432.550 1.761 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)C 1768229096 CDVJNRQKUXGJBY-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769264423 FYIXTCKWBRTJDD-KRWDZBQOSA-N 442.499 1.092 30 10 IDEE C=CCC1(S(=O)(=O)NC(C)=NOCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 1853581571 DDNJJCFSQNDFDC-UHFFFAOYSA-N 438.525 1.852 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)C1=O 1854519028 NRBNGOXCMHMWJB-YJBOKZPZSA-N 432.546 1.147 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)cc1 1857223108 BCXQBIOWEFBXCN-ZWKOTPCHSA-N 429.542 1.770 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(C)nn2CC 1865225667 XOAVPXALEQRBQY-LJQANCHMSA-N 439.516 1.805 30 10 IDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870142763 KXSIQQAHAFRDMQ-GFCCVEGCSA-N 443.423 1.721 30 10 IDEE CCc1nnc(SCCCO)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874527293 IGCRBPSONUPAOQ-CJLVFECKSA-N 449.577 1.917 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532276 JNVDZACBXDPEKZ-LSDHHAIUSA-N 448.329 1.596 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255539449 ZKWNGLHMZHGDBT-QDMKHBRRSA-N 432.330 1.314 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)co2)OC1(C)C 2255542355 QIKNOOWFZVDPCY-QHCPKHFHSA-N 426.322 1.946 30 10 IDEE CN(CCCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2255876362 LULWWBDJLIEZHE-UHFFFAOYSA-N 437.350 1.443 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267113500 USLSCXWMUIBAFL-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2267139583 IJPKRBREAIKCBR-ZSEKCTLFSA-N 448.329 1.217 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267175089 JGKSQPYQLCJGOQ-DGCLKSJQSA-N 442.247 1.447 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3ccoc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267290306 BCEVXTHGTZLNFY-PMPSAXMXSA-N 448.325 1.943 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](O)C[C@@H](F)C3)cc2Cl)OC1(C)C 2282305293 WSBZBFCUBAWLKH-NXEZZACHSA-N 425.740 1.794 30 10 IDEE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C#CB1OC(C)(C)C(C)(C)O1 2320263121 JSFZUDBDWALCJQ-HNNXBMFYSA-N 435.330 1.205 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)CC1=O 2329012607 SSONQPKQUKGBHC-CYBMUJFWSA-N 430.490 1.160 30 10 IDEE COc1[nH]c(=NCC2(OC)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339785206 PVRBDGATUFANHC-UHFFFAOYSA-N 449.357 1.859 30 10 IDEE O=C1O[C@@H]([C@@H](O)CO)C(=N/Nc2ccc([N+](=O)[O-])cc2)/C1=N/Nc1ccc([N+](=O)[O-])cc1 15775029 YUUFLFHZQBBXNY-UFZMXEGPSA-N 444.360 1.018 30 10 IDEE COC(=O)c1sccc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 28961495 IZJWVNBXHBDLOS-UHFFFAOYSA-N 448.526 1.351 30 10 IDEE N#Cc1ccccc1[C@@H]1N[C@](CC(=O)O)(C(=O)O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 247637378 FEBOXQZYFXIFEO-XHOYROJHSA-N 447.447 1.345 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 440858692 LVEIWDWXFZRXJE-CQSZACIVSA-N 442.476 1.320 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CC1 447281395 QVCKKOLXHPZPMH-JTQLQIEISA-N 435.347 1.859 30 10 IDEE CN(C)CCNC(=O)c1cccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 462085245 RSSKQZOANVRLKE-UHFFFAOYSA-N 432.488 1.752 30 10 IDEE Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 463794313 HFCLBCSVOMOLFM-QGZVFWFLSA-N 443.956 1.832 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465183471 AODZWICGHUPKHG-MRXNPFEDSA-N 428.518 1.062 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3c3ncccn3)CC2)c1C#N 473008285 JLSAAIVDKDVBAV-IHPCNDPISA-N 434.548 1.877 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C 477006293 RPUMJRHNKYIMHP-UHFFFAOYSA-N 438.322 1.624 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(Cc2cscn2)CC1 481515026 DFVGGJZAZGCCAD-OAHLLOKOSA-N 433.559 1.416 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 492292231 VVIBMLNEJFIZSN-IBGZPJMESA-N 430.524 1.053 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 502162137 LSXUNWMQSZWXME-YOEHRIQHSA-N 444.579 1.333 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)C2=O)n(C)n1 505935881 QRYBLQOAZFWSHZ-IBGZPJMESA-N 442.545 1.102 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508506643 GACYSGURCYYMQE-OAHLLOKOSA-N 435.550 1.914 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(=O)OC)C1 508885093 MHSPZPDMPWTPEG-INIZCTEOSA-N 433.534 1.771 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508896806 UHSPNXQTIJRPHJ-QGZVFWFLSA-N 446.577 1.274 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3cnn(Cc4ccccc4)c(=O)c3)CC2)cc1 511816676 IREFZXOYNOMYCE-UHFFFAOYSA-N 435.509 1.674 30 10 IDEE CCc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513779890 MXIHSVYYEUWJDM-UHFFFAOYSA-N 447.495 1.750 30 10 IDEE Cc1ccc(OCC(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 513788888 ZICCAYUDRQMMFM-UHFFFAOYSA-N 427.526 1.864 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc2c(c1)OCO2 525777967 SGCNZRLCZORPNX-UHFFFAOYSA-N 445.456 1.965 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1-c1ccccc1C 531755194 FPBPLHZONPTUNU-UHFFFAOYSA-N 429.423 1.874 30 10 IDEE C[C@H]1CC[C@@]2(CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)C1 541952782 TWZABOYSWQKGKZ-PGRDOPGGSA-N 430.574 1.903 30 10 IDEE CN(C)CCOc1ccc(CNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 555972970 GBXOCZRQJDZONT-UHFFFAOYSA-N 435.528 1.722 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cc1 557551096 UWOWEFMFUFPZAA-UHFFFAOYSA-N 434.468 1.854 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 558991702 MQDSNNTXDLUQIN-SFHVURJKSA-N 435.550 1.832 30 10 IDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 559028143 UFOAZNIDOINJHL-FQEVSTJZSA-N 428.585 1.486 30 10 IDEE CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 585715532 WBGCXKGKLPAYLU-UHFFFAOYSA-N 437.519 1.767 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(N4CCCCC4)ncn3)CC2)cc1 590419012 AJXKSXHQCVZKMA-UHFFFAOYSA-N 440.529 1.485 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)ccc1Cl 604025533 PSDKOEMBZCEDFW-UHFFFAOYSA-N 432.933 1.834 30 10 IDEE CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(C#N)cc1F)CC2 610377409 QKHKVXGINHSMSP-UHFFFAOYSA-N 430.461 1.201 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 731886995 GBKVRMNXOCINGX-VZCXRCSSSA-N 436.468 1.872 30 10 IDEE Cc1nn(C)cc1C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 733679119 DDSWTTVRHIGNOL-QGZVFWFLSA-N 429.502 1.864 30 10 IDEE CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C(F)(F)F)c1 737304698 ASNFJIDEFBUENQ-FOCLMDBBSA-N 440.378 1.685 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 746159040 DULZBCYRGMRZJL-VXPUYCOJSA-N 430.892 1.931 30 10 IDEE COC(=O)c1ccc(N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)[C@H](C)C2)cc1 746192721 FXIOYSNMOOTQHV-MSVBSMQLSA-N 426.473 1.427 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746742876 KARRYXPKMSCOAK-VBKZILBWSA-N 426.473 1.013 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O 753753329 PBIRVEXIFJPIOT-CABCVRRESA-N 442.538 1.317 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cc1ccccc1 762252139 SBVFDJFMDWHDAS-HKUYNNGSSA-N 429.542 1.860 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 763780225 LJHMPRKSEIJWAK-GOEBONIOSA-N 433.486 1.059 30 10 IDEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCN1C1CC1 775219209 GAQZHXANNFBTLS-IAGOWNOFSA-N 432.322 1.936 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)Nc2ccccc2)CC1 779352608 VHCUWUINEJSMGJ-UHFFFAOYSA-N 426.498 1.793 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCC 781650050 VGDXDFDNJZKWEF-UHFFFAOYSA-N 428.558 1.760 30 10 IDEE NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 787985413 DEQZASKEWAXOPM-KHYOSLBOSA-N 432.546 1.398 30 10 IDEE COc1ccc(CN2CC[C@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)c(OC)c1 806027603 FABDXWGZFCQTIC-HKUYNNGSSA-N 427.505 1.186 30 10 IDEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)nn1 811178530 NCTSMHGNKZNGAM-MORSLUCNSA-N 429.408 1.085 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21)[C@@H]1CCCO1 811185522 NKTYKGGFGDUXHP-TXJDRWKGSA-N 430.504 1.763 30 10 IDEE CCn1c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)nc2ccccc21 917541588 CBIUXYHDHABESV-UHFFFAOYSA-N 427.534 1.833 30 10 IDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1084169907 JGPRNGREFWDTSO-UHFFFAOYSA-N 428.434 1.783 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1 1084603532 WWKQWKVJVZAOSH-UHFFFAOYSA-N 429.462 1.589 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3cc(CC)ncn3)CC2)s1 1137245087 HUVLVJNDMUZHBP-UHFFFAOYSA-N 449.602 1.893 30 10 IDEE C=CCOC[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OCC)C1(C)C)C(=O)OC 1139175780 LUWIOWPRQHNROK-PDSXEYIOSA-N 428.526 1.945 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN1C1CCOCC1 1156912462 WNDRQFBFBJWCGA-SFHVURJKSA-N 448.589 1.655 30 10 IDEE CC(C)(C)n1nc(Br)c2c(N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ncnc21 1164271373 XCVXVHLXRVOTDK-MGPLVRAMSA-N 439.339 1.718 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(N3CC[C@H](O)C3)CC2)CC1 1174741520 BINQIZLMUHYTSH-VXKWHMMOSA-N 429.540 1.066 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCn3ccc(O)nc3=O)C2)C1 1180173386 AYOGDMOKODGRCN-DBWCEAHUSA-N 431.493 1.242 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1214226462 PDHIHSGAIDIIOQ-CVEARBPZSA-N 425.507 1.571 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1286276919 ZSNCGSGKLMGVAM-RYUDHWBXSA-N 426.340 1.928 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1286421632 YWLBHPYMMDOGQC-CQSZACIVSA-N 449.606 1.549 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286422666 NSKYVMXODYXHSE-OIBXWCBGSA-N 428.533 1.731 30 10 IDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286450477 SOONAEFBFROBPU-GOSISDBHSA-N 431.562 1.641 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2OCC)CC1 1286471216 HPXUSWZPYFTZTP-QGZVFWFLSA-N 446.577 1.091 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1286687969 OGHAHWKALYPGET-MSOLQXFVSA-N 441.598 1.973 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N2CCOCC2)C1 1286802411 AXYSFGVNYJVTID-FQEVSTJZSA-N 441.532 1.984 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C1 1286909719 AFPHIWJSGLQJCA-SFHVURJKSA-N 426.521 1.995 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1287461826 CXYJXYIHRAIRIL-IBGZPJMESA-N 425.537 1.732 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1288705042 IJBDAABXTKPXGC-IBGZPJMESA-N 438.580 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1300556571 JDILSGNQBILIGG-OAHLLOKOSA-N 434.591 1.979 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1300578643 NSTNMZJOWQMHML-LJQANCHMSA-N 449.540 1.272 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCCS2)CC1 1300689171 RAGIUOQYTBMJHW-SFHVURJKSA-N 445.614 1.999 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)C 1300874714 NMPAFRNXBKFKTF-QFBILLFUSA-N 441.536 1.867 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)CCOC)CC1 1301124749 LACFFNVCRFYVRQ-GOSISDBHSA-N 425.599 1.551 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301127755 RXBYATAOLFMGPG-OAQYLSRUSA-N 434.537 1.960 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1301222721 DPOMQJZQHLTJAN-HOTGVXAUSA-N 429.612 1.909 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301515512 WAMZRFQSNRKQHT-MJGOQNOKSA-N 438.532 1.430 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1301565399 BZVKCFBFQRVJJN-IRXDYDNUSA-N 425.493 1.033 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC)[C@@H](C)C1 1301577283 HKNAXDPLIWYQAV-INIZCTEOSA-N 447.561 1.805 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1=O 1301885780 MRJBHCVTUFCFMP-UHFFFAOYSA-N 431.456 1.625 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 1302921545 JMFBQRWFOAYEJY-UHFFFAOYSA-N 436.921 1.539 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCCN2CCC[C@H]2CO)c1 1302988133 WDIDPCQULKNFTP-FQEVSTJZSA-N 437.548 1.380 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(O)CCN(C)C1 1305520417 CJFYZLLKSPROIU-AOMKIAJQSA-N 441.584 1.098 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)cn1 1313176884 DEMUUZYJKHRSHE-UHFFFAOYSA-N 433.472 1.037 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1315531741 OSDWNEHLGPBHDL-NHCUHLMSSA-N 428.468 1.786 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1316264188 KWNLFASMYPOMFS-HXUWFJFHSA-N 437.504 1.791 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCCOCC1 1316567460 MLRADSUBAQJOSJ-QZQOTICOSA-N 440.479 1.761 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1358930412 VBJJKMJCXWHEBG-KRWDZBQOSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1358955670 QVHKYLXHRQGFGC-QZTJIDSGSA-N 435.594 1.461 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358961354 XBMTYOHZDDSCNL-GOSISDBHSA-N 430.578 1.632 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1358966413 OQGMBBPBPRNASR-SFHVURJKSA-N 442.545 1.396 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1358967618 OIBHNZWBIIUDMY-BQFCYCMXSA-N 434.518 1.270 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1OC 1358984102 IQNDWFPIJUSRAK-HKUYNNGSSA-N 425.489 1.535 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359023853 YJNKLMLCBRYLSV-MOPGFXCFSA-N 435.594 1.836 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(S(C)(=O)=O)CCC2)CC1 1359031465 COFNJFOGUCJAGH-UHFFFAOYSA-N 443.573 1.676 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 1359042462 HMFINCBCZJJXEY-LJQANCHMSA-N 443.935 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)C(C)C)CC1 1359043470 VBUGDVIFNJPOKJ-UHFFFAOYSA-N 437.548 1.468 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCN(C)C1 1359073749 CTWXPRIMTDJJHV-DHIUTWEWSA-N 425.533 1.924 30 10 IDEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359190626 WWRSUYISZWDDKV-INIZCTEOSA-N 443.577 1.383 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359228761 NMXYNMDZBOMRQH-OAQYLSRUSA-N 444.561 1.721 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359299576 ISQWFKJJNSPZMS-RTBURBONSA-N 442.568 1.599 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1359323741 VZEIEMQVDLNGGP-RTBURBONSA-N 446.577 1.469 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359340301 IOEKKXLOXIAPLN-UHFFFAOYSA-N 427.578 1.660 30 10 IDEE CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)cn1CC 1436860210 JXYOCYIGCNOTKD-XOUADPBQSA-N 428.445 1.047 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1440745159 GFDNIYFRALRJNX-QGZVFWFLSA-N 444.536 1.623 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)c(C#N)c2N)cc1 1445156203 MGJWJNAXOHSKCU-CVEARBPZSA-N 448.449 1.998 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(O)n3)C2)c1 1455735006 CEKBVXYHWJOTEU-INIZCTEOSA-N 431.518 1.354 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)c(=O)c1C#N 1457777125 AYALNWWMMPEWML-LBPRGKRZSA-N 447.293 1.346 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)Nc3ccn(CCN4CCNC4=O)n3)ccc2c1=O 1458030678 XFZLBIDXZCATCP-UHFFFAOYSA-N 439.501 1.345 30 10 IDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)CC(=O)OC(C)(C)C 1460354762 CDTMBRWTCCJTPH-UHFFFAOYSA-N 448.545 1.373 30 10 IDEE C[C@H](CC(=O)NCc1cccnc1N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1470015783 HMEKLGWVAWPTDJ-OAHLLOKOSA-N 427.530 1.815 30 10 IDEE Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472036653 YABYGEUGSIQLRU-WJPUGNRLSA-N 433.530 1.958 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1504815032 KFVPWYKXRCKXPW-PMACEKPBSA-N 437.548 1.500 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1507514133 BWMDIRVOOABEAO-JKSUJKDBSA-N 432.550 1.085 30 10 IDEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)C1 1507571086 ZZQAZBYXMFDVQK-UHFFFAOYSA-N 449.603 1.725 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCSCC2)cc1 1507602273 ZNEJNZZFCALXQV-MRXNPFEDSA-N 448.618 1.559 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1507708739 LUTODWZGHMQCHB-IBGZPJMESA-N 438.937 1.234 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCc2cnn(C)n2)CC1 1507728394 SJLHTERAGDPJHS-UHFFFAOYSA-N 448.575 1.588 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508093837 CZIWXCXAMDGHQQ-PZJWPPBQSA-N 438.576 1.522 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508132036 PZUSTWMGYYCKGZ-ZWKOTPCHSA-N 434.566 1.356 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508132046 ULFGFCDKFGTWKH-IAGOWNOFSA-N 439.582 1.220 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1516219953 DXRISUDYZXVZED-UWJYYQICSA-N 444.467 1.437 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1516755442 KTOAWBZFAKUAIG-HSZRJFAPSA-N 437.548 1.454 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1516971634 WKECNZHXXRPADL-UHFFFAOYSA-N 449.475 1.851 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539078684 DPRXAQTYVNZNOB-SFHVURJKSA-N 433.582 1.461 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1539219275 BQGRLLJKSAJKTE-JKSUJKDBSA-N 428.505 1.987 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539220533 KJKZDARXHYSLDF-HUUCEWRRSA-N 435.575 1.476 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539221667 RBZNNQADRATCJF-IEBWSBKVSA-N 432.521 1.791 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)Cc2ccccc2C1 1539238665 BCLUHPOHAMKOAC-QGZVFWFLSA-N 425.558 1.766 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(OC)ccc2OC)CC1 1539447938 ZEALXZIRIZKGOO-GOSISDBHSA-N 425.533 1.993 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCN2CCCO)CC1 1539468955 KNFPLQSVUGLFPV-QUCCMNQESA-N 430.597 1.604 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)COC)CC1 1539484164 FHURIAGRRNWQJP-SFHVURJKSA-N 449.559 1.765 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539990147 FJOYPTDVBVFMIN-SFHVURJKSA-N 442.549 1.900 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540021024 ZMMAOVAKWXMRLP-AVRDEDQJSA-N 433.553 1.881 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1540120639 MKYKCXBNZPKLKL-KRWDZBQOSA-N 447.561 1.470 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCC2CC2)C1 1540901681 MAWAEXPDQOTREK-SFHVURJKSA-N 434.566 1.675 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@H](C)C1 1540904134 KSGQHVSYTCUZOW-ZNMIVQPWSA-N 448.636 1.111 30 10 IDEE CC(=O)N1CCN(CCn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1 1541006987 UEGUFQKMNWAGBD-HXUWFJFHSA-N 429.569 1.466 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1541088535 IOQALMQJYLPEFB-UTKZUKDTSA-N 437.548 1.500 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)CCOC1 1541733858 WWDXXCNXFKYHGA-AVRDEDQJSA-N 448.568 1.158 30 10 IDEE Cc1cc(F)ccc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1542222539 HUKFJCKOZVSTIS-WMLDXEAASA-N 436.513 1.307 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1556131092 DDAPWNTXLYMNAY-UHFFFAOYSA-N 448.522 1.280 30 10 IDEE C#CC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)OC 1556970896 LKVQMJDSVFFCHA-KGLIPLIRSA-N 426.256 1.880 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCCC3)CC1 1558075359 VCVBPVWRCWTXMO-UHFFFAOYSA-N 445.520 1.116 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 1561813516 AWAHLZSMDCYCMX-UHFFFAOYSA-N 439.534 1.949 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)s1 1566300508 SFWXZAADGYGXHT-HOCLYGCPSA-N 440.543 1.699 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1585593394 FAAKRGPRYLORAI-UHFFFAOYSA-N 444.488 1.680 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)N1CCSCC1 1587939962 KPLTWJPRWKYZPL-UHFFFAOYSA-N 433.603 1.956 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1588055278 UTIRPOWKFWVMBY-IBGZPJMESA-N 443.573 1.618 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1588074027 HMHSGGZWZVRWOB-VQIMIIECSA-N 438.575 1.411 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1588612484 HCOOKCWKZAJASB-LJQANCHMSA-N 441.532 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1588899199 MNGXJYPAOQMXAV-UHFFFAOYSA-N 428.500 1.564 30 10 IDEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594121886 ICYGWMQDAJXRQS-NRFANRHFSA-N 432.546 1.606 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595506717 KLMBGQWGVBAUFW-DOTOQJQBSA-N 443.460 1.379 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1596978301 MGBNYSWAXIYNFO-JOQOYGCGSA-N 449.558 1.146 30 10 IDEE CC(C)N(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1607938030 CEGPXAMXXPTXPO-MRXNPFEDSA-N 436.520 1.261 30 10 IDEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1)N(C)C 1611671855 GLSGHEHCXBVVFA-JKSUJKDBSA-N 445.593 1.879 30 10 IDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cs1 1611947421 IWRDTMIPSRJMED-PBHICJAKSA-N 449.606 1.483 30 10 IDEE O=C(Nc1nccs1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1616174542 AAMPCCBFFSRZFO-KKGDDVQDSA-N 434.499 1.313 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)OC)c3ccccc23)CC1 1626868366 AJJAXTOEQZCJIQ-UHFFFAOYSA-N 430.486 1.244 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)CC1 1627015332 OWLMBFVHNAWQDG-UHFFFAOYSA-N 435.868 1.104 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 1627745207 CLACILCFIMXLFU-VAWYXSNFSA-N 427.526 1.991 30 10 IDEE C#CCN(CC(=O)N1NC(=O)C[C@]12CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1628865424 CQYQGCRNXMDMTK-NRFANRHFSA-N 436.509 1.500 30 10 IDEE COc1ccccc1[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 1632115382 LLRRFDXTAKKVOD-MGPUTAFESA-N 429.498 1.834 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1639558000 ADOKZLPGWKOUAW-WFASDCNBSA-N 448.335 1.719 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 1640925003 YHRQVOJWPHIWMI-NRFANRHFSA-N 436.530 1.245 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)c1 1641957506 HSKJGMUIJLQYQN-UHFFFAOYSA-N 433.530 1.727 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)C1=O 1645298178 KQGBCAMTHNLENH-MRXNPFEDSA-N 427.457 1.431 30 10 IDEE C[C@@]1(C#N)CN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCO1 1647991185 NULMXGJCNZUJFI-CQSZACIVSA-N 425.816 1.778 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(C)c(Br)ccc3[nH]2)CC1 1650849141 VYFQTXAVKRNCBH-UHFFFAOYSA-N 439.335 1.464 30 10 IDEE CC(C)(C)n1nc(Br)c2c(N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ncnc21 1651450124 XCVXVHLXRVOTDK-QFYYESIMSA-N 439.339 1.718 30 10 IDEE C=CCN(C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)[C@H]1CCS(=O)(=O)C1 1652734936 KLHPJTXEZLIUKI-ROUUACIJSA-N 446.491 1.842 30 10 IDEE Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1653073441 ZLOOYCJSBBTHDB-XGHQBKJUSA-N 433.530 1.958 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3cc(C(=O)OC)on3)CC2)c1 1656593986 NPCHONHYLUVQQO-UHFFFAOYSA-N 433.486 1.945 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccc(F)cc1 1674015169 RWJGSFJDNWZAFK-OAHLLOKOSA-N 436.431 1.660 30 10 IDEE C=CCC1(NC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CCOCC1 1675466700 UTPSPCQIXXOBSA-UHFFFAOYSA-N 429.477 1.426 30 10 IDEE Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)C2=O)n1 1678084031 BHOPUEDRUFFSPF-KRWDZBQOSA-N 425.468 1.458 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1689852143 BCZINKYQDZYCED-RDJZCZTQSA-N 446.552 1.571 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1689965998 IILLEVOJIWURKN-HKUYNNGSSA-N 431.562 1.561 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1689979769 GWQQUFORPOUCTG-IAGOWNOFSA-N 436.534 1.579 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1690143771 AYGINAZDWPKVER-ZMMAXQRCSA-N 442.564 1.399 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCN(C)C1 1690563675 ZYUQJYMKLADUSN-UWJYYQICSA-N 448.593 1.148 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1690667715 FHVHEJINOGWGBI-UHFFFAOYSA-N 425.537 1.947 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1694211556 DIEVTDRCCUNPCK-MRXNPFEDSA-N 435.532 1.933 30 10 IDEE CCCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695441248 ABCHDPGCFRZOMF-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE CN(C)C(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1696573383 FEAFHTDTMLRYGH-NRFANRHFSA-N 431.516 1.491 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1705476476 ARACTGYJWCBDMJ-IAGOWNOFSA-N 445.593 1.658 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705532868 RTXXCCMWZURDLC-OALUTQOASA-N 445.593 1.719 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705698591 WGMAVWQCPUXSDW-QYZOEREBSA-N 439.582 1.199 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1705805158 ALKKCYMQJRRNGP-SFHVURJKSA-N 439.582 1.750 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705900785 PEGGHDXYOHHLIO-INIZCTEOSA-N 437.504 1.070 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705903241 RPYSMCOPJNGZHN-SJORKVTESA-N 432.569 1.953 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705904115 GCDQGHBBDQTTHE-DNVCBOLYSA-N 440.504 1.150 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705904670 UUGPFBVBIBTHIJ-UHFFFAOYSA-N 439.564 1.540 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1712091396 HOKDGCCRRITBBA-WFXMFSGNSA-N 440.570 1.070 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1712182811 JTNYBESJFUEHRX-MJGOQNOKSA-N 446.483 1.055 30 10 IDEE CSCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1712813138 KOQUVPCYBDIEQR-GJZGRUSLSA-N 430.600 1.493 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC(F)(F)F)cc1 1712880249 CCXJEPCSIPKFCV-CQSZACIVSA-N 438.410 1.967 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@H](C)C2)CC1 1722449638 NFGFGTJVGNDVPR-QZTJIDSGSA-N 442.564 1.181 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722462954 QPFGQNCCEMCHRT-MRXNPFEDSA-N 444.586 1.770 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1722618815 VOVKVPUZGUGTOY-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CNC(C)=O)CC1 1722693364 LIBKSKAZBFSDRR-UHFFFAOYSA-N 426.521 1.608 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722698076 UBJKXXVFGVVITL-MRXNPFEDSA-N 425.518 1.985 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnnn2C)C1 1722714534 KQOUHSUCCCLVSK-QGZVFWFLSA-N 425.493 1.920 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 1722783813 KRINFAAXBCSSAP-HZSHHLKBSA-N 449.515 1.529 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3C[C@H](C)N(C)C)CC2)c1C#N 1725867411 HRTUEKMBXSJVST-INIZCTEOSA-N 436.568 1.474 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CCOCCCO 1726642407 HSHQCXIYNHNHJR-GOSISDBHSA-N 448.531 1.721 30 10 IDEE CNS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1729736519 CIQSFRJCPPPMRW-AWEZNQCLSA-N 436.513 1.846 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCCC2)CC1 1731017905 CWQZONODAAQKQM-UHFFFAOYSA-N 443.577 1.431 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cs2)CC1 1740592508 YTLPYADXSYECJO-INIZCTEOSA-N 434.591 1.685 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CCC1 1740610716 JJXNOTMUWAXENZ-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740620194 CEIDDWDJRGGZAK-SJORKVTESA-N 449.627 1.815 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N1CCOCC1 1740685513 HPFUMGVTQVWMGH-QGZVFWFLSA-N 433.503 1.954 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(SC)CCN(C)CC2)CC1 1740696468 VECUUAMBOWGHDW-LJQANCHMSA-N 432.638 1.755 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1740704123 KVGJYGPOURAXNU-DEOSSOPVSA-N 448.527 1.588 30 10 IDEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1740714048 PTQSJNDZTMDQOF-UHFFFAOYSA-N 444.586 1.845 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1740731777 HKLOZUXLCGKUMX-FOIQADDNSA-N 431.518 1.195 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1740774577 VPDPGSUIFCSDQG-ZWKOTPCHSA-N 448.593 1.983 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)CCOC1 1741732807 QEGPIXXRVMAEJM-UTKZUKDTSA-N 432.525 1.106 30 10 IDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)c(=O)n1C 1742225458 BOIKUBHMAJCMLG-UHFFFAOYSA-N 445.527 1.964 30 10 IDEE CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1745969298 QGYPDCFVMZBMIJ-MEUCICPISA-N 427.509 1.525 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1748811766 LATUUNLIGJNOOT-AWEZNQCLSA-N 431.547 1.119 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1748826519 UVYUCRVNIRQPHX-ZWKOTPCHSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1748860047 VHYRSEKNTRUOKA-QZTJIDSGSA-N 447.536 1.321 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748907550 WOVGPZREBDGGTK-GOSISDBHSA-N 428.537 1.851 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749241549 PVXAYPDWDXHRCA-IAGOWNOFSA-N 432.525 1.489 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749659057 SSKUTVGJSNTNQP-QHCPKHFHSA-N 435.532 1.420 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1750214161 GPZBWLZOHYHDSJ-UHFFFAOYSA-N 430.534 1.107 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCN2CCC(O)CC2)c1 1750381062 HJRJEWWPOLBUFY-LJQANCHMSA-N 437.548 1.365 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1760117402 OJMAVHJRPONRAT-VQIMIIECSA-N 449.552 1.759 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NCC)CC1 1760133525 HAJLTMQNSCIATP-UHFFFAOYSA-N 438.532 1.735 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760192427 ITAHCRLMGVDXRC-VAMGGRTRSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760200761 BYSFZYXYQXWCAQ-GOSISDBHSA-N 429.532 1.857 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)N(C)C 1760249343 ZHYWPESEZLRORE-QZTJIDSGSA-N 446.502 1.896 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CC1 1760262603 SKPQKGYFJDDUHA-UHFFFAOYSA-N 436.491 1.673 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1760264893 YRFKGSUXVRNUEE-HSZRJFAPSA-N 436.516 1.289 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN(C)C(C)C 1761221065 AWGNHPQXEADYKY-UHFFFAOYSA-N 440.552 1.682 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1761359792 ADRWPLNLBIPMJH-NYHFZMIOSA-N 437.504 1.736 30 10 IDEE CC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)COC1 1761570451 MQUNHCGVGUNOBK-JKSUJKDBSA-N 448.524 1.352 30 10 IDEE CCc1nnc(N2CCN([C@H](C)C(=O)NCCCOC)CC2)n1Cc1ccc(C#N)o1 1763092649 UMEOCESINZIFIH-MRXNPFEDSA-N 429.525 1.017 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1763684188 UURBJUXQHQXKKS-LJQANCHMSA-N 435.532 1.980 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOCC1(C)C 1769127281 GEWDTSTUYZIYIA-QGZVFWFLSA-N 439.564 1.746 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1771079788 AEGGWAWMKKOLAD-QFIPXVFZSA-N 426.521 1.391 30 10 IDEE C#CCN(C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1772515206 MBGQXYULWUEBDN-DLBZAZTESA-N 427.567 1.998 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1849645046 LTHQGFPLOQNVFS-IBGZPJMESA-N 443.504 1.594 30 10 IDEE C#CC[C@H](C)C(=O)N(CCN1CCOCC1)c1ncc2c(Br)nn(C)c2n1 1850376643 JGFXWWJWEYDWPJ-ZDUSSCGKSA-N 435.326 1.450 30 10 IDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1C 1854036880 DUWKJWUOGSVALF-UHFFFAOYSA-N 427.482 1.478 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)nn2C)C1=O 1854282418 IKGSSUCUGQDBBQ-HZPDHXFCSA-N 427.530 1.608 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc([C@H]3CCCO3)cc2)C(=O)C12CCCC2 1854418823 LOCNCMFCXNTGEW-GOSISDBHSA-N 431.514 1.989 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc3nc(O)oc3c2)C1 1858334370 GZACJXNNXAQTLT-CYBMUJFWSA-N 448.482 1.147 30 10 IDEE Cn1nc(C(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)cc1-c1cc(F)ccc1F 1867101706 VYAOWIASTMJZJE-SFHVURJKSA-N 425.395 1.966 30 10 IDEE C[C@@H]1CCCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@H]3CCS(=O)(=O)C3)n2)C1 1869993052 BIDPAANYCNCUER-PBHICJAKSA-N 428.518 1.998 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCCN(CC)CC 1870356068 KLCPGDVFRUTMEM-UHFFFAOYSA-N 448.608 1.632 30 10 IDEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870576254 SXSVBQYXPJTZQA-UHFFFAOYSA-N 434.522 1.151 30 10 IDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1871015809 APWMMFGXNKMFNC-UHFFFAOYSA-N 425.533 1.523 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)CC1 1889472236 GOKGSSJXOCQBCN-UHFFFAOYSA-N 447.601 1.352 30 10 IDEE CC(=O)Nc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)c1 1889486124 MQPGRXKDJPFEGM-UHFFFAOYSA-N 426.561 1.825 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)s1 2247801536 CVFSRIXBNCHMAC-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2255524467 RKYCIFLTALYPTD-CYBMUJFWSA-N 438.305 1.740 30 10 IDEE Cn1ncc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2255545151 LKKUTMZTMUNAFY-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255708880 OVFDFJZKKYUHMN-CABCVRRESA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255827569 KQWNLGYYSVGNAQ-DZGCQCFKSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255846665 KOAOWJZUEMWUBB-QXKUPLGCSA-N 440.346 1.316 30 10 IDEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2256061738 KPVQKZQLPISCQX-KBPBESRZSA-N 432.330 1.761 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2256913627 LLPBBXHTOIIOES-UHFFFAOYSA-N 427.310 1.925 30 10 IDEE Cc1ccc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2264096404 RJRFOVAZZYASRG-KRWDZBQOSA-N 434.342 1.796 30 10 IDEE C[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267001633 NPCGRPDYYAWNEQ-IUODEOHRSA-N 441.259 1.910 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2267270586 MDRTVQGTZJNPHY-WBVHZDCISA-N 449.357 1.424 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267280317 ONVWRWWHAMGRNC-CQSZACIVSA-N 448.329 1.142 30 10 IDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H](C4OCCO4)C3)c2)OC1(C)C 2267715697 BBFRYNUACWVNJK-CYBMUJFWSA-N 429.369 1.821 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267873232 OCLOOQSYKVKVBA-GFCCVEGCSA-N 442.247 1.307 30 10 IDEE C=C[C@]1(C)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270524998 CVBPRCOIUBTICM-VQIMIIECSA-N 426.491 1.061 30 10 IDEE COC[C@H](CCO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834525 WFWODCQVPPSHEO-JTQLQIEISA-N 425.765 1.376 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2319801987 ARLGPOWLTYQGII-UHFFFAOYSA-N 435.330 1.939 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2319823842 DCHMXIAIUIORPM-UHFFFAOYSA-N 436.318 1.334 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 27165449 ASGARMYYIMWWPK-UHFFFAOYSA-N 442.541 1.547 30 10 IDEE CCOc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254445579 RTKAOJZNTVZDBD-HUUCEWRRSA-N 426.516 1.942 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 409790183 NWNIOOCPJQTZGQ-GXFFZTMASA-N 425.454 1.573 30 10 IDEE C=CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 410070575 NDSUFGLZHNIVCF-INIZCTEOSA-N 434.562 1.734 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 480110889 BZSCCMDBCBEDCI-KDOFPFPSSA-N 444.538 1.765 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 481715679 IZYGBENQPWPNEL-BZSNNMDCSA-N 434.562 1.499 30 10 IDEE CCN(CC)C(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487156427 JSITWVAOCIJPSL-HXUWFJFHSA-N 425.533 1.949 30 10 IDEE N#C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 499388092 KJIJNNSEQULTCH-YUELXQCFSA-N 440.319 1.166 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 513091810 CXYMFTFELOKAQI-VGOFRKELSA-N 427.526 1.778 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3c[nH]cc(Br)c3=O)C2=O)cc1 534850318 XUEQNJJPMVWFPC-CYBMUJFWSA-N 444.245 1.853 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCO2)CC1 549892605 PPAMWEVLHQEJNU-KRWDZBQOSA-N 428.512 1.687 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 576149424 CCRLBTIUSLICQD-XHSDSOJGSA-N 427.571 1.437 30 10 IDEE N#Cc1ccc(Cn2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2=O)cc1 586559701 AIOVNKQMZWDJLE-UHFFFAOYSA-N 436.493 1.388 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2nc3n(c2C#N)CCS3)C1 609814361 CJMLTSZPAZMVGD-LBPRGKRZSA-N 436.519 1.505 30 10 IDEE CN(Cc1csc(C#CCCO)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703973062 HIQIMTFTRRULTQ-UHFFFAOYSA-N 432.523 1.540 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 704567467 MUVXQNFGXYVFMF-IAQYHMDHSA-N 441.344 1.963 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416600 UUVANSRWDLVKHX-UHFFFAOYSA-N 437.477 1.292 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccnc1 729673269 WHEJMSPVPISFBD-UHFFFAOYSA-N 443.532 1.923 30 10 IDEE Cc1csc(-c2ccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)n1 737305111 FDAUQPANKQIJLU-MSUUIHNZSA-N 425.470 1.700 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F 742278096 DBERDEDNCPXYRZ-JTQLQIEISA-N 440.877 1.388 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(NC(=O)CCN2CCOCC2)c1 742395576 XZYNOICJDPWCRQ-UHFFFAOYSA-N 443.529 1.479 30 10 IDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)CCS(=O)(=O)c1cccc(C#N)c1 754349091 JQVJKWUPYFHIFD-UHFFFAOYSA-N 436.578 1.816 30 10 IDEE O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 761714011 XHJVBLHHQQOKSM-UHFFFAOYSA-N 430.438 1.132 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 768514952 ZCPPRKURDPSZRC-AZUAARDMSA-N 445.928 1.953 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCCNc2ncccc2C#N)C1=O 771598084 VTHPXIIHCFHLDE-JOCHJYFZSA-N 437.456 1.693 30 10 IDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC1 780208057 YOSAFTFHWIQBIC-UHFFFAOYSA-N 427.910 1.854 30 10 IDEE CC(C)Oc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1C(N)=O 788838954 NNSOYPOYERSTLJ-UHFFFAOYSA-N 430.486 1.640 30 10 IDEE C#CCC[C@H](O)CNC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 798465823 KWBQTCNEEDVRBC-OTWHNJEPSA-N 429.517 1.744 30 10 IDEE CC(C)(C)OC(=O)N(CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1)Cc1cccnc1 800012799 KNHMYVMBUQQQFR-KRWDZBQOSA-N 439.538 1.268 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 800787589 HUIWCDDQYSQXBG-KBPBESRZSA-N 428.559 1.568 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 801149263 FXWJSZDBPLOHLN-GOSISDBHSA-N 441.509 1.008 30 10 IDEE C#Cc1ccccc1CC(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 811261328 UKNNJHKFRUEGNK-UHFFFAOYSA-N 445.475 1.610 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 811454001 VGUPHWNFIGLPDP-ZWKOTPCHSA-N 430.480 1.980 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 812023423 XCWRFFHNVJDDQJ-OAHLLOKOSA-N 434.518 1.618 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 812190092 QEPSZRJTOMLUEI-HOTGVXAUSA-N 434.541 1.830 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 914679401 AKNVQTBFUWIZRE-ZDUSSCGKSA-N 429.454 1.105 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)s1 1137344717 ZZYUOEIHCRNKIQ-UHFFFAOYSA-N 449.554 1.445 30 10 IDEE CN1CCn2ncc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c2S1(=O)=O 1154408043 BWQQYIZILFTORY-UHFFFAOYSA-N 442.501 1.352 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1162990435 VNRWTEMJUKKYKY-UHFFFAOYSA-N 428.290 1.706 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)cc1 1171140049 QDYJPURIYXEYDA-KRWDZBQOSA-N 427.486 1.688 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CC(C)C)N[C@H](C)c2ccccc2)CC1 1223831972 PALPQAYWFFJHDZ-CTNGQTDRSA-N 449.621 1.547 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1286274579 OLYGFJCXGXQXJU-ZIAGYGMSSA-N 442.586 1.650 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1286276350 WVFSHTOMSPDQLV-KBPBESRZSA-N 434.522 1.573 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)c1ccco1 1286370802 SGVJJBSSBZODJN-UHFFFAOYSA-N 441.517 1.331 30 10 IDEE C#CCN(c1nnc(CC)n1CCCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1286395696 TVPPVIDVLCLEEQ-KRWDZBQOSA-N 426.546 1.907 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ncn(-c2ccccc2)n1 1286432455 LDYWIVLQCPXRED-UHFFFAOYSA-N 428.500 1.492 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CN(C)C1=O 1286460201 BDFPFMROEDRELS-HSZRJFAPSA-N 438.507 1.658 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)(C)C)C1 1286509201 NTDCURXUDQEQPK-HOTGVXAUSA-N 426.608 1.798 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)CC1 1286562507 GQVKJNODJDDDSK-IRLDBZIGSA-N 443.596 1.889 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286568441 WQXLGGMBICBQMM-LPHOPBHVSA-N 441.598 1.704 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286688321 WIENMACTYGOVPH-QGZVFWFLSA-N 438.536 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCCCO1 1286814292 OZFJMDYZWUVRQN-MRXNPFEDSA-N 425.555 1.120 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1286976419 FBTRHOVSSZBYGG-GOSISDBHSA-N 435.532 1.790 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1288737940 WFBIDRCXVXUFOZ-QFBILLFUSA-N 445.545 1.943 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)N(CC)CC)s1 1290408909 OEVAFVQPUMYHGS-CQSZACIVSA-N 431.605 1.525 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)(F)C(F)F)n1 1290646950 LELDKZMUACOATN-CQSZACIVSA-N 445.421 1.786 30 10 IDEE CC[C@@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1292331744 OZVPHDHPAGWFEL-PXNSSMCTSA-N 448.549 1.750 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1299564249 SUPRMDYNUUCFQL-PMPSAXMXSA-N 436.513 1.350 30 10 IDEE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1300634225 PHEIZNLVPCASNM-RDJZCZTQSA-N 428.514 1.629 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1300746113 PCIXBZNCGVFFOP-UHFFFAOYSA-N 444.561 1.790 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1300788258 VNIXTFOWVBECFG-DUXKGJEZSA-N 436.578 1.746 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCCS2(=O)=O)C1 1301567165 VAYOWFFEXCTVMD-RBUKOAKNSA-N 448.593 1.888 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1c[nH]c2ccc(I)cc2c1=O 1302617723 IJIHOWGNLQIDIQ-UHFFFAOYSA-N 439.209 1.662 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCSCCCO)cc1 1302989115 HEQIIHRMXJNTQL-OAQYLSRUSA-N 426.546 1.791 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(CC4CC4)n3CCOCCCO)CC2)c(F)c1 1302992368 ZDITWBPUBHYMQC-UHFFFAOYSA-N 428.512 1.967 30 10 IDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1313998916 FFYBPRXNUUPPBD-QGZVFWFLSA-N 440.552 1.530 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358869674 RPJQXVBGHOYRMC-INIZCTEOSA-N 429.546 1.565 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1358889814 HCIATBKJCIDMBL-IRXDYDNUSA-N 439.582 1.418 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358937269 OCNOEKKEYNAKPZ-IKGGRYGDSA-N 446.552 1.510 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1358965956 FJIXFMPUUASMJT-JXFKEZNVSA-N 428.558 1.959 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1358967821 SXJHAMYWZKFWQP-LNLFQRSKSA-N 448.545 1.579 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1CC 1358999805 DAVNFQDHVFBFJQ-UHFFFAOYSA-N 426.912 1.981 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359057103 SEOWOAJDGWJLPZ-MOPGFXCFSA-N 446.621 1.629 30 10 IDEE C=C(Br)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1359085190 FJTDREYIAGKMME-HNNXBMFYSA-N 447.337 2.000 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1359272650 YOTOXFKGCOXELX-KRWDZBQOSA-N 439.582 1.606 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OCC)CC1 1359305235 XBHVWHJGPOQXEX-UHFFFAOYSA-N 442.520 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(C)(C)C)C1 1359326882 LWOKHVQQPPQZDS-GJZGRUSLSA-N 447.627 1.362 30 10 IDEE CC(C)NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1360291873 HAEKQGDJCCUGSI-INIZCTEOSA-N 439.568 1.768 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1443044567 CMVNGBHDEJCETA-SFHVURJKSA-N 433.557 1.889 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)OC 1451183266 VVZNONCWEBCQJO-KRWDZBQOSA-N 444.465 1.553 30 10 IDEE Cn1cc([C@@H]2CN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1452026429 LZKYXLUALSUAQC-OTWHNJEPSA-N 425.489 1.844 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1 1454961123 LKTWCNLLLDDQDT-UHFFFAOYSA-N 439.493 1.465 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCN(c4nc(C)cc(O)n4)C3)ccc2c1=O 1455763995 YABXNZPFUWSGEG-AWEZNQCLSA-N 438.513 1.684 30 10 IDEE N#C[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1468044161 WNSSASRXQUNVEN-NSHDSACASA-N 430.305 1.926 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(NC(C)=O)nc1 1499162606 SADIMMZSVKQSAX-UHFFFAOYSA-N 431.504 1.835 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1503828171 GBTWVQGQEOIFRG-HXUWFJFHSA-N 441.492 1.738 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CC1 1504887333 UPHSQCMZCDWFKY-PMERELPUSA-N 434.522 1.283 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCCO3)n1CCOCCCO)C2 1505317914 QUEJHSSDNPVMFW-GOSISDBHSA-N 428.493 1.454 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1507517603 QOGUJKPGXLFEEU-HUUCEWRRSA-N 442.586 1.603 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507554714 WSYYEMNGOIKLRD-UHFFFAOYSA-N 438.536 1.040 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1507631295 NTEDTGFLOKEYRX-KRWDZBQOSA-N 428.518 1.563 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1507782875 BHEPSEWWXUKAGE-HNNXBMFYSA-N 441.374 1.686 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1COc2ccccc2O1 1510172945 FXJNFMJXAUCBON-GDBMZVCRSA-N 446.533 1.468 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCCC1 1510189797 HDJWNKUWBNGOBC-YOEHRIQHSA-N 427.550 1.205 30 10 IDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1514535703 KNZVSBFGRSILKN-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H]2OC)CC1=O 1519205155 ABZHCTKWQDYYES-UXHICEINSA-N 438.532 1.927 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CC)CNS(C)(=O)=O 1533442033 HESMPRWJXVWVEP-LBPRGKRZSA-N 448.339 1.542 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)c3snc(C)c3C#N)CC2)c1 1535447841 DTSSTGVTPGPHPB-UHFFFAOYSA-N 433.559 1.746 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)c1 1535904311 CNZBTVDCNQQGPU-INIZCTEOSA-N 430.555 1.802 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1539031933 SBRWWOHILXRTRV-CJNGLKHVSA-N 430.896 1.957 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1539116428 NXPTVIYCURMECS-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539117487 URHADHIFOWQTMK-UHFFFAOYSA-N 445.593 1.902 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539210829 GQQQIDYFZPKRJS-NSHGMRRFSA-N 443.573 1.892 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539359659 NGCAPCGXBVWZRO-RTBURBONSA-N 449.563 1.880 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC2CCCCC2)CC1 1539428829 WXZFQGPVMNLGIH-UHFFFAOYSA-N 429.569 1.011 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1539490602 GDWDAYRDQYCGLE-UHFFFAOYSA-N 447.586 1.748 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539514736 UOVVCKUIIYFBCC-KRWDZBQOSA-N 441.623 1.746 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1539631105 IWXBFCIRZVOLIR-NJAFHUGGSA-N 439.582 1.581 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1539744058 CJCSOOSPBHMRCT-OAHLLOKOSA-N 437.504 1.888 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C(C)C)CC1 1539889750 BTQLLLBBABOGNQ-GOSISDBHSA-N 440.614 1.354 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@@H]1C 1540198985 VCAWMOGQUSTBNE-INIZCTEOSA-N 432.525 1.365 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540866870 CXQUBKBUNMOVII-UHFFFAOYSA-N 448.531 1.457 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540873516 ASHHKGXTLRWMRB-GOSISDBHSA-N 426.521 1.307 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540907895 LUTNXZPYGIPNLW-UHFFFAOYSA-N 449.625 1.080 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1541470025 ASTNDTJSKPIBFA-VGOFRKELSA-N 425.537 1.610 30 10 IDEE CN1CCC(C#N)(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1542887714 VDYYYFREXBFBDK-UHFFFAOYSA-N 428.514 1.588 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1547547926 CSKZPXIAGALFQY-NQIIRXRSSA-N 445.545 1.372 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCOC1 1552910208 AWEOTDDHLNQEJY-QZTJIDSGSA-N 430.534 1.466 30 10 IDEE N#Cc1cccc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2CC2(O)CC2)c1 1555986448 LDVJPURWIRORNN-UHFFFAOYSA-N 425.411 1.719 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(-c3cnccn3)n2CCOCCCO)CC1 1555991622 XTGUQIZDEXAJEA-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 1565296470 URXDFERTFVGZNE-VAMGGRTRSA-N 426.565 1.743 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ncc(F)cn3)CC2)s1 1567445651 QUHVUKZOJIVZGS-UHFFFAOYSA-N 425.511 1.033 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1587524878 RLRIHQARILQIRT-QLFBSQMISA-N 425.482 1.527 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1587640421 REIAJNLNPFXVSE-RDJZCZTQSA-N 445.545 1.164 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1588060087 ZCRWLFPZOQOADX-SFHVURJKSA-N 434.537 1.797 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1588060097 ZHAKYIQQAUBOCM-SFHVURJKSA-N 430.578 1.757 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1588228683 JTPIHEJNYSBGTH-QZTJIDSGSA-N 426.546 1.102 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1588314328 ASDRUFNTBGRUDX-KRWDZBQOSA-N 427.505 1.957 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1589403749 CYQRTHIUDGIGSH-BBRMVZONSA-N 431.356 1.706 30 10 IDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1593696322 NKRAYXTWLPSQQO-UHFFFAOYSA-N 425.541 1.998 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1594913662 MHDLYZDFIPHTKF-GOSISDBHSA-N 426.926 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCCCCC1 1595798396 OZCGBIMLTDGEEV-INIZCTEOSA-N 430.596 1.552 30 10 IDEE CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)o1 1613860204 GFKGLICGKRSJJC-CQSZACIVSA-N 435.554 1.926 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(Br)s2)nnc1N(C)C[C@@H](C)C#N 1618839574 AMGQYPYBEJXWFU-JTQLQIEISA-N 447.384 1.914 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1620025392 PNHCFOOZVONJRF-RTBURBONSA-N 448.568 1.376 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(-c3cnccn3)n2CCCCCCO)CC1 1620352177 PSYGXXUJUKRRFH-UHFFFAOYSA-N 433.520 1.881 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CCOCC1 1620384711 FGQCCIOBWHQEBR-ZPHPHTNESA-N 428.880 1.962 30 10 IDEE N#C[C@@]12CN(C(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)C[C@H]1CS(=O)(=O)C2 1626655263 ATYXCDKHUYULRW-XOBRGWDASA-N 437.468 1.214 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1628223377 OJFIWRWZWZHXOF-UHFFFAOYSA-N 431.514 1.967 30 10 IDEE N#Cc1cn(CCC(=O)NC2(c3cccc(Br)c3)CCOCC2)c(=O)nc1O 1631770166 HDJGMFPQROWLBB-UHFFFAOYSA-N 447.289 1.795 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1 1638392957 SBGLDJJWVQSSBS-WOJBJXKFSA-N 432.590 1.793 30 10 IDEE COc1cc(CNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)ccc1C#N 1640206515 NTXATFYWUJSOKG-INIZCTEOSA-N 437.518 1.607 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NC3CCN(CC#N)CC3)ccn2)CC1 1641258835 OXRIJYBGQUFOJO-UHFFFAOYSA-N 428.537 1.856 30 10 IDEE C[C@H](C(=O)N1CCc2nc[nH]c2[C@@]12CCN(C(=O)OC(C)(C)C)C2)n1cnc(C#N)n1 1641922835 PBMMQNZVSTWKOF-XCLFUZPHSA-N 426.481 1.355 30 10 IDEE COc1cc(N)c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1S(C)(=O)=O 1642636646 DOCVANOBMLXYHP-UHFFFAOYSA-N 429.498 1.988 30 10 IDEE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1648001642 AGSUEOLCIHEFTP-JBLFJGJOSA-N 431.537 1.973 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC1 1650846061 IGIVXPYTTXJPRH-HXUWFJFHSA-N 449.479 1.697 30 10 IDEE O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221007 KUCAUUYCLQPSLI-UHFFFAOYSA-N 443.481 1.645 30 10 IDEE C#CCN(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)C1CC1 1654481501 RXMSJLCHPZZBPU-WQRHYEAKSA-N 443.550 1.830 30 10 IDEE CC[C@H]1C(=O)NCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1655676976 FUDMQCBERNEWDR-LPHOPBHVSA-N 427.549 1.957 30 10 IDEE C[C@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1659525091 SRGHSSRBDMCJPZ-JOCHJYFZSA-N 426.542 1.908 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C1CCOCC1 1670501941 ASLUCIUGVROLEA-CYBMUJFWSA-N 442.335 1.346 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCCNC(c3ccccc3)c3ccccc3)C2)c(=O)nc1O 1684655636 BLTZUVQHBWMTDZ-UHFFFAOYSA-N 444.495 1.766 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CCO2)c1 1684829649 IUSUXBLUNXMQJH-FQEVSTJZSA-N 433.468 1.893 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3COc4cccc(Br)c4C3)C2)c(=O)nc1O 1684911025 HGXVBMODLQSNDO-LLVKDONJSA-N 446.261 1.153 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCCNC(=O)OCc3ccccc3)CC2)c1C#N 1687865823 HBBSKOXCCOIHKA-UHFFFAOYSA-N 425.493 1.358 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1689885475 JQNKXZZACSPECU-SFHVURJKSA-N 435.536 1.880 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1689989241 CINMZJWDUNEPDN-MOPGFXCFSA-N 446.577 1.165 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1689991344 ZWJDEPGGUBLZFS-DLBZAZTESA-N 448.520 1.605 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1690066387 FNJBJXKAFJNKFA-LJQANCHMSA-N 438.937 1.616 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690527724 RUKYDEHLPOYUML-HOTGVXAUSA-N 435.525 1.286 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1690597234 NCOUCWLVAAGMJJ-GOSISDBHSA-N 435.525 1.977 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1690674270 VICCEXVDMPGVSI-QGZVFWFLSA-N 439.545 1.909 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1695424590 FGOUKUZVZZSPTF-JOCHJYFZSA-N 437.504 1.764 30 10 IDEE CNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1696895724 DGJYGOOOCSQMLX-UHFFFAOYSA-N 441.584 1.489 30 10 IDEE COCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697977262 ZIJKUOQGIFLRCM-AWEZNQCLSA-N 446.533 1.142 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1705475537 MMYPTAFYAXGOIT-UTKZUKDTSA-N 432.594 1.180 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1705568722 UGHUHSPURUFFIQ-SFHVURJKSA-N 447.561 1.672 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1705575641 RHUKDAHINLEJQO-IBGZPJMESA-N 431.338 1.186 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCn2cc(Cl)cn2)CC1 1705641759 SGEWXYPEHZNVIS-UHFFFAOYSA-N 430.969 1.939 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1705786595 SWMJARYEGZSJNM-OAHLLOKOSA-N 440.614 1.843 30 10 IDEE C=CCCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1705808670 ABFPSTYWSYSTFG-JOCHJYFZSA-N 446.552 1.807 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705809928 IFPKVSXXNIPBFV-UHFFFAOYSA-N 426.525 1.606 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](COC)C1 1705895146 VPSKXHWNGOQXMI-QGZVFWFLSA-N 426.521 1.922 30 10 IDEE C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 1708245308 IBWAHJARHMJKRR-QSNWEANLSA-N 429.569 1.859 30 10 IDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1710342822 CNJFIJOFFPXDLA-UHFFFAOYSA-N 425.493 1.105 30 10 IDEE CN(C)CCCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1711013278 XQDAYZHZPOZFIR-TZIWHRDSSA-N 440.548 1.890 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1722293230 BZVNGDASYLVRGY-QZTJIDSGSA-N 440.614 1.188 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1Cc1ccccc1 1722345687 QTIFAEURBKMURX-MJGOQNOKSA-N 430.578 1.622 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)CCCOC)[C@H]1CCS(=O)(=O)C1 1722358382 GOMWCFWOPFPRBA-KRWDZBQOSA-N 425.599 1.171 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1conc1COC 1722423737 NGWUAZJFEQNUCE-UHFFFAOYSA-N 425.445 1.943 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)N1CCOCC1 1722506004 BRSLRIIZRDMZOW-SIKLNZKXSA-N 440.548 1.540 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F)C1CC1 1722651847 ZTDWGTDODUTBHO-OAHLLOKOSA-N 447.536 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1722729840 YMJYTKMSPIWQSN-HXUWFJFHSA-N 443.508 1.559 30 10 IDEE CCN(CC)C(=O)CCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1728354173 SLYJKJXFRSJUPW-XMSQKQJNSA-N 448.568 1.696 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1729396246 AZJOTJNXZFHHTP-FQEVSTJZSA-N 437.548 1.584 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1729611055 PZYQVQQHRGWOAT-HNNXBMFYSA-N 439.520 1.866 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn2ccccc12 1729712920 AZXCTSYHEQEGSE-UHFFFAOYSA-N 444.499 1.997 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1730527414 QFACAFAPWNKOTH-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1740554092 WBMDMYJXKCINSP-QFBILLFUSA-N 449.552 1.841 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740580523 AMWDHYJGHUNIIV-UTKZUKDTSA-N 431.562 1.708 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740624764 ALZBZHQAELMXNI-VAMGGRTRSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1740647640 SSUKUONPZXOPBO-UHFFFAOYSA-N 441.557 1.584 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(N(C)C)CCOCC2)CC1 1740691676 ARUVVNHGZBNERC-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2CCC)CC1 1740706340 WELZJVOTQSITBU-PMACEKPBSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)cc2F)CC1 1740706454 YMEFMBQVYUSQOW-GOSISDBHSA-N 441.507 1.944 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740721035 VESPSBWAILKRFS-GOSISDBHSA-N 430.622 1.730 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnccn2)CC1 1740961407 BEYDMMCFJDDNHL-UHFFFAOYSA-N 448.531 1.296 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740961636 VYWHDDFTVHSPNP-AWEZNQCLSA-N 448.474 1.726 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740961685 HQGKLPYNTJIHCL-ROUUACIJSA-N 436.564 1.738 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1741114461 XVZINEQIPRUBCK-UHFFFAOYSA-N 447.499 1.898 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1741922194 OMQHYMQCFIZLLA-JLTOFOAXSA-N 449.581 1.029 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C[C@H]1C 1743295488 JQCMQOIMEYXWDZ-CPUCHLNUSA-N 434.522 1.216 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748814245 BRICYWLHQKORBG-WIRSXHRWSA-N 438.594 1.944 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1748892577 RNJIUPAJDZPSAZ-RBUKOAKNSA-N 434.562 1.086 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCCC2=O)c1 1748958658 FBXSETMBCWHQBJ-UHFFFAOYSA-N 431.500 1.996 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC(F)(F)F)CC1 1749412285 LKLLZEKIJKNRRT-CQSZACIVSA-N 438.520 1.929 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CNC(C)=O)CC1 1749658405 PHJXOTDEOUBZPL-UHFFFAOYSA-N 431.928 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC1(C)C 1749727588 XYJVQNIQJJNPNS-UHFFFAOYSA-N 442.549 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1749731774 KBIUQQKFDNUOKQ-UHFFFAOYSA-N 430.596 1.550 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)C1 1749825936 BNEIORIRHPUCSK-LJQANCHMSA-N 427.553 1.789 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1749827398 BBQYBJQLVTVJGT-HNNXBMFYSA-N 447.517 1.475 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1760138505 ZOQVIUGGEYGXHZ-XLIONFOSSA-N 437.566 1.031 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1760175532 LQSDEVGZXRIDGN-QGZVFWFLSA-N 427.530 1.425 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760182787 MCVVPJCKQWUVLH-RXAIFQJESA-N 428.624 1.750 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1760190838 VAKNQXHCOJHNRB-AABGKKOBSA-N 443.573 1.442 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1(C)C 1760243062 URGJSRSTSALBSN-HUUCEWRRSA-N 429.612 1.506 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)cc1OC 1760243545 NQHAEYPLCIDOHX-UHFFFAOYSA-N 427.505 1.666 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760246310 OHWSAOPGFWNLCV-MRXNPFEDSA-N 435.525 1.452 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760261332 OYGFKPMPGNCNDS-IBGZPJMESA-N 443.573 1.355 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCO[C@@H]2CCOC2)CC1 1760264412 MNPIUAKNDJPWIT-OAQYLSRUSA-N 443.523 1.947 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCN(CCC)CC1 1760464774 OTDIRAIPJDWOKU-SFHVURJKSA-N 440.614 1.355 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760518131 JSMKGZMWJLUMKQ-HNNXBMFYSA-N 431.928 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2CCOC[C@@H]2C1 1760556500 FVTORZVAASOAMW-FQEVSTJZSA-N 445.589 1.299 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CCO1 1760669144 UUOLIRHSLKQJMG-QGZVFWFLSA-N 434.447 1.440 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCn2ccnc21 1761473884 VJMFNPWKXDHAGO-DOTOQJQBSA-N 446.581 1.792 30 10 IDEE Cc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C 1761792450 NJHFUHWJULGUBF-PGRDOPGGSA-N 442.520 1.103 30 10 IDEE CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1765204293 IGXBYMWYQLPNPD-HFUDNHEJSA-N 447.565 1.275 30 10 IDEE CCn1cccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)c1=O 1765337684 ILVJKRURXNPQIU-GOSISDBHSA-N 435.444 1.812 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1768495350 CSCISQBPBQWLAE-QRWLVFNGSA-N 448.524 1.677 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCCCCCC1 1771564580 NLFPLFUCCIODJT-ZZEZOPTASA-N 441.536 1.811 30 10 IDEE CN(C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCOC1 1853033032 VVBRZBSSSHSCDN-MJGOQNOKSA-N 449.479 1.973 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C(=O)C2)C1 1853632166 FRTXLMDKLZIQQZ-IAGOWNOFSA-N 434.924 1.447 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O)c1ccc(Br)cc1 1854642055 MPRUUSDVOFJMLY-RYUDHWBXSA-N 428.308 1.465 30 10 IDEE N#CC1CCN([C@H]2CCCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1855609969 PFRDNWLQYJXXPQ-HKUYNNGSSA-N 436.578 1.334 30 10 IDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C2)CC1 1855839134 PGLCJYNDRCNSHQ-UKRRQHHQSA-N 427.402 1.741 30 10 IDEE CC(C)=CCCC(C)=CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856829184 KGCHWRLVSCHIOK-IBGZPJMESA-N 436.578 1.668 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(OC)(C(F)(F)F)CC3)CC2=O)CC1=O 1856960812 ZSWGOTHJCMNXJR-LSDHHAIUSA-N 431.455 1.439 30 10 IDEE C=CCOc1ccccc1OCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c1cccs1 1868038008 IVHNNSRKIBBOCW-HNNXBMFYSA-N 440.543 1.490 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869934644 OEXWOYBDROLHDX-OAHLLOKOSA-N 426.454 1.368 30 10 IDEE COc1cccc(Cn2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 1870107293 BYRSYLADTNDOEB-UHFFFAOYSA-N 426.458 1.830 30 10 IDEE CCn1cc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cn1 1889565266 SWSAXQASLFWZQL-UHFFFAOYSA-N 437.610 1.102 30 10 IDEE C=CCC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CN(C(=O)OC(C)(C)C)C1 1985829605 VNSYAAFAZYJEQR-GJZGRUSLSA-N 425.526 1.896 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCO)cc1 2164496354 JXAVIJOQCAWJEL-OAQYLSRUSA-N 430.457 1.797 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255539057 UHAQXMGWQLFTIW-LSDHHAIUSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]1C2 2255628288 GEOCEORNKAHBIP-GZBFAFLISA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255707669 ZGYRKUFRNZXVGV-XJKSGUPXSA-N 435.330 1.583 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255861607 CUFVWXWFYOJDND-XJKSGUPXSA-N 435.330 1.272 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267271060 PKMITIKIBMALRO-UHFFFAOYSA-N 447.341 1.340 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2267597834 USOOACVSVDHOSQ-ZDUSSCGKSA-N 443.275 1.855 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 2267608700 XREWXWKLBSEOGL-CYBMUJFWSA-N 449.361 1.632 30 10 IDEE C[C@H](C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)N1CC(NC(=O)OC(C)(C)C)C1 2268712035 RHFZSBSDWOBERW-CQSZACIVSA-N 446.357 1.917 30 10 IDEE COc1ccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296618194 BOKBLLOZZOSPID-HXUWFJFHSA-N 440.500 1.789 30 10 IDEE C[C@H](C#CC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1)NC(=O)OC(C)(C)C 2302415848 ULMQQHGMHINMGS-NCOADZHNSA-N 437.537 1.589 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2337189968 IFEPQAWUDMSUNF-ZNMIVQPWSA-N 446.357 1.765 30 10 IDEE O=C(CSc1n[nH]c(N/N=C/c2ccc(O)cc2)n1)Nc1ccc2c(c1)C(=O)NC2=O 21078070 YEJXGAVCTBIVDT-DNTJNYDQSA-N 437.441 1.571 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 61565688 ADUUQOIRXMDJFJ-UHFFFAOYSA-N 431.518 1.659 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@H]1c1ccncc1 72472475 ZEFIBKAZJQMMHL-YOEHRIQHSA-N 430.424 1.533 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 109937876 ASFHXWYFXJDZON-APWZRJJASA-N 435.509 1.842 30 10 IDEE N#Cc1ccc2ncc(CNCc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)n2c1 238053434 BSOUKEJJCVUVIU-LJQANCHMSA-N 425.514 1.953 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccccc3O)C2=O)cc1 436728554 AXPLTRUHOPNOGW-VQTJNVASSA-N 432.480 1.786 30 10 IDEE COC(=O)CC1(NCC(=O)N(CCC#N)c2cccc(Cl)c2)CCS(=O)(=O)CC1 439260406 PERRSIGKBAJBOL-UHFFFAOYSA-N 441.937 1.687 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(c3ccc(C#N)cc3Cl)CC2)C1 444777013 NPIPDMIRZSEIDD-LJQANCHMSA-N 433.984 1.807 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447280694 XVRMYRMJORPUPV-UHFFFAOYSA-N 428.464 1.665 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc21 461288782 DDBSQQCUVZVAOI-UHFFFAOYSA-N 429.440 1.416 30 10 IDEE CCc1cnc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 466331031 MKFRAMKEZZZFOI-UHFFFAOYSA-N 433.559 1.836 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 478768314 YQHFVMAJIXCPLD-AWEZNQCLSA-N 443.475 1.968 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 508827182 QIFGLYPWPYUDQE-SFHVURJKSA-N 435.550 1.750 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 513358285 QAMJVJXYLWOUOO-UHFFFAOYSA-N 434.543 1.604 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cccc2CC)c1=O 530317985 YSUSQYUNRQITME-UHFFFAOYSA-N 443.544 1.773 30 10 IDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 546971042 VIZKKILLRSACQI-HNNXBMFYSA-N 429.454 1.353 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC(CC#N)CC1 568329943 NHOTUXXHCLLGHD-UHFFFAOYSA-N 434.562 1.787 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(F)cc1 603786767 MNMVVQRGCKCQCZ-UHFFFAOYSA-N 441.509 1.461 30 10 IDEE CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 603933630 FDBKIFFAROQAFH-KRWDZBQOSA-N 438.575 1.039 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729671252 FEGHBWNWMYLAMN-UHFFFAOYSA-N 447.495 1.713 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732696476 GMKRQPMBZWHPCJ-KRWDZBQOSA-N 448.593 1.987 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 748417273 ZGNGZGMRUPCKJW-UHFFFAOYSA-N 445.472 1.696 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@@H](C)c1cccs1 751922359 DCMIRXWIWRKRJU-RGBQQSPZSA-N 439.607 1.312 30 10 IDEE Cc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1S(=O)(=O)NC1CCCC1 752625520 DSRDGDXBWKLELZ-XUTLUUPISA-N 446.529 1.472 30 10 IDEE C[C@H](CC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 756133274 HLMJTGAGXWWOFO-HUUCEWRRSA-N 438.513 1.962 30 10 IDEE COc1ccnc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)n1 758773327 QYRUSLQAJBODTN-LSDHHAIUSA-N 431.497 1.076 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CCn3c(O)nnc3C2)c(C(=O)OCC)c1C 763141168 JGIILRIDMKXRMX-UHFFFAOYSA-N 449.489 1.327 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCc2nnnn2C)c1 772257293 QPCXQOBSZSGVCI-XLNRJJMWSA-N 434.526 1.167 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(C#N)c(Cl)c3)ncnc1-2 778735179 SVUIPICBBXGZHE-UHFFFAOYSA-N 434.685 1.866 30 10 IDEE N#Cc1ccc(NCCNC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)nc1 781930947 QYGGXIYQIJOBBE-SFHVURJKSA-N 428.518 1.981 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1C#N 787742198 ZSGJHORXKQXKBS-OAQYLSRUSA-N 435.528 1.288 30 10 IDEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2c(C)nn(C)c2OC)CCCN1C(=O)OC(C)(C)C 791889130 OQMJDPKHADDLAI-IBGZPJMESA-N 442.538 1.888 30 10 IDEE C[C@@H](C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1cnc(C#N)n1 798740291 PQHHJOWXXWHYMG-KFWWJZLASA-N 444.467 1.323 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(OC)cc3)n[nH]2)cn1 1084494342 QNDZTTOQULYUCU-UHFFFAOYSA-N 430.494 1.833 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1124529917 DATFIFKOTUXQIE-HOCLYGCPSA-N 428.532 1.349 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 1136872509 RVOGUTJDQFRTSZ-ZDUSSCGKSA-N 429.429 1.580 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1153262016 GIQDRGHNXJSKIO-KRWDZBQOSA-N 440.949 1.250 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1154385239 VXFVXJPIBROYCG-QZTJIDSGSA-N 433.530 1.441 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1155474239 DMXQCNXAGHCZTE-IRXDYDNUSA-N 439.490 1.762 30 10 IDEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1188221573 BBZJCIJBZXSHGT-YPMHNXCESA-N 435.428 1.073 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2sccc2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1198374019 VFWPHBTWZNVYSK-KGLIPLIRSA-N 440.547 1.277 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286406851 JYHYOQVXAZEJAH-KRWDZBQOSA-N 435.454 1.405 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(=O)NCC)cc1 1286416151 VZTPOQHPBMTRSH-SFTDATJTSA-N 435.528 1.873 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCN(C)C1 1286463696 KQYPYMXVXGYYDE-FQEVSTJZSA-N 448.365 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCOC2)CC1 1286487929 RXEPWMSQUBDPSQ-QHCPKHFHSA-N 439.516 1.071 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1286494996 WZZMSAUFCSUESG-YADARESESA-N 437.544 1.656 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286676130 WLQPTTDWOXUKIB-UHFFFAOYSA-N 443.552 1.523 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1286726791 IWZMIGCXTZJULI-LPHOPBHVSA-N 447.561 1.800 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nccs2)C1 1286787333 RTQNDSJREKAQLO-MRXNPFEDSA-N 425.518 1.985 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)C1 1286858632 CHOCTVGBHNBLFG-RBUKOAKNSA-N 426.525 1.127 30 10 IDEE CC(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286952046 IOGASLYAEDQULG-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE COc1cc2nc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)c(=O)n(C)c2cc1OC 1290342671 HOVHPBNTSPNLIY-LJQANCHMSA-N 447.495 1.973 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC2CCCCC2)CCOC1 1296662047 BCEVMDOEIJPWDV-GCJKJVERSA-N 446.552 1.498 30 10 IDEE CCOC[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1297364733 WMINMMGVKQNFTJ-GJZGRUSLSA-N 436.538 1.654 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300478802 BUNBYQICXHAKNS-OAHLLOKOSA-N 428.518 1.352 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1300494274 ZRLGXQXJCUCZKU-IRXDYDNUSA-N 433.578 1.826 30 10 IDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1300499511 SYHIBXMYTSJXEX-QGZVFWFLSA-N 437.610 1.357 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1COCCO1 1300560608 GLJRTUGHLASMDR-SFHVURJKSA-N 440.500 1.849 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)N(C)CC)CC1 1300716897 ULXDONSQRWZSQY-UHFFFAOYSA-N 438.532 1.398 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCOCC2)CC1 1300719742 OJCXGAIKEYOGKV-GOSISDBHSA-N 437.548 1.027 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1300725454 HMQDEHDMFYIAEL-FDDCHVKYSA-N 429.565 1.953 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301041470 LPZUMHCMNGBZHC-MRXNPFEDSA-N 436.944 1.196 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(OCCN2CCCC2)CC1 1301499952 HOOKYRLIWAOMGR-SFHVURJKSA-N 432.569 1.165 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301916725 MCNFBLWZHVKSDJ-UHFFFAOYSA-N 448.531 1.962 30 10 IDEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1302202483 HLJZOEJSJNKTHW-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1302419471 MDGCZSSSWQTIDP-AWEZNQCLSA-N 427.910 1.696 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1303639963 HJQPNWQGBZEKMU-POEINMCQSA-N 449.602 1.845 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C1 1316532485 PGTHFXMEATVSPD-IIDMSEBBSA-N 446.449 1.877 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1ccnn1 1358876633 NZKRMCIAJFAUMF-MRXNPFEDSA-N 442.549 1.335 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1358958512 PWASGMAKIHAPDG-IBGZPJMESA-N 449.540 1.534 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1358968714 WAVCEOCVGBMXQF-LJQANCHMSA-N 441.919 1.740 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1358978241 HGKIODBIQBVUCT-KRWDZBQOSA-N 435.619 1.080 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1358979657 TYCKIQKWRJCNFL-SFHVURJKSA-N 426.498 1.441 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1359024478 NZKDCHDJMPDITR-MOPGFXCFSA-N 437.610 1.388 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359045874 WOKVSSJCBGQJLO-MRXNPFEDSA-N 442.486 1.069 30 10 IDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359201770 ZDAQBPKOALGZHU-UHFFFAOYSA-N 438.536 1.362 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1c(C)nn(C)c1C 1359298600 GCAZGQYJLGZRKT-UHFFFAOYSA-N 440.508 1.295 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@@H]3C[C@H]3CCCO3)C2=O)cc1 1439728010 MGGQGAHUYGFZJS-IPMKNSEASA-N 426.473 1.560 30 10 IDEE C[S@](=N)(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1455497564 TXSOATQCUXTPID-RUZDIDTESA-N 426.340 1.493 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@]3(CO)C2)n(-c2cccc(F)c2)c1C 1460846421 FHJHRTFKSPZADF-HSZRJFAPSA-N 441.507 1.422 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1462100127 WVMANVFWLKAXQH-UHFFFAOYSA-N 428.533 1.545 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 1469769733 GUVIZLLQNCBPMP-KRWDZBQOSA-N 434.518 1.697 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)c1 1475432737 YLLIOEUQVHBMKA-GOSISDBHSA-N 447.532 1.933 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@@]2(CCOC2)O1 1494252337 HMEGULTZMRANGW-FDDCHVKYSA-N 440.548 1.779 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1504966267 VWLGYFFPURRBKT-WBMIKMOSSA-N 432.525 1.763 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCC1 1504976502 VWLZJWLSMCOTTE-MRXNPFEDSA-N 441.536 1.633 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507592622 WFFJKAGILDUJQM-IBGZPJMESA-N 441.580 1.167 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507622101 BCRAODBKSOPACJ-QGZVFWFLSA-N 433.509 1.230 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507627027 HYXVLFFBLVZFOH-GOSISDBHSA-N 444.557 1.886 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507630215 UTPPCPWMMNDXFL-ZWKOTPCHSA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1507634465 NLAVSLZUIWVDIU-VVLHAWIVSA-N 440.591 1.024 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1C(F)(F)C12CCC2)[C@@H]1CCS(=O)(=O)C1 1507636608 BHUCLUQQCURMDL-CABCVRRESA-N 428.505 1.877 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1507723019 RDLYKJKZCGRZEA-UHFFFAOYSA-N 438.557 1.397 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2cnn(C)n2)CC1 1507732517 ODYVDXKCAGZTEG-UHFFFAOYSA-N 438.511 1.513 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1507744007 NCQJNAJCZQWSQG-UHFFFAOYSA-N 435.504 1.679 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507805582 MZXMRKXLANIGBE-MOPGFXCFSA-N 444.580 1.654 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1508007490 CEIQWIZFMRQKDI-QGZVFWFLSA-N 449.552 1.990 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(OC)CC1 1508090300 GWSGVYVZNPQJPK-OAQYLSRUSA-N 446.577 1.967 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508142728 UZKGJUQEHJQHBO-UHFFFAOYSA-N 438.598 1.730 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1508146605 ZUAJNZRBPIIRED-UHFFFAOYSA-N 431.562 1.712 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CC1 1508274745 GPULNEXMZMSDFO-UHFFFAOYSA-N 437.548 1.190 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1513248074 XTKVIDZSAGIMEU-RBUKOAKNSA-N 447.561 1.610 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1518336125 NXGPGHJIWVDDOR-PMACEKPBSA-N 443.504 1.790 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1518959695 DRFAJAWYLOAYLO-PXNSSMCTSA-N 433.534 1.228 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1539034744 ICSSGDSHHJFOEC-HYFFOGBASA-N 432.569 1.875 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539212854 YGVCEVSXQAWMKJ-HXUWFJFHSA-N 443.573 1.294 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2COCCO2)CC1 1539441479 QEHBYTIKPYJTOV-IBGZPJMESA-N 441.532 1.523 30 10 IDEE N#Cc1ncn(CCNC(=O)c2cnn(-c3ccccc3)c2I)n1 1539487233 GYAKTKZGRXXOHQ-UHFFFAOYSA-N 433.213 1.370 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1539642697 JOLXRBTYGUDBDB-LQWHRVPQSA-N 427.553 1.788 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1540073987 VZNAZICRVQYOCZ-SFHVURJKSA-N 433.578 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1540902266 FLGASOHCFSQMEO-HOTGVXAUSA-N 426.539 1.510 30 10 IDEE CC1=C(C)C(=O)N(CCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 1541114159 COJKWJRNDPNEQZ-XLNRJJMWSA-N 432.502 1.533 30 10 IDEE C=C(Br)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1542487056 BGAZBANCQUTPOE-AGIUHOORSA-N 437.356 1.681 30 10 IDEE CCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546492577 SHZFJAIYIMUFGG-FMQUCBEESA-N 437.460 1.838 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C)n(C)c2=O)CCOC1 1547882998 CHIUJQXZGLYDQO-QFIPXVFZSA-N 426.521 1.726 30 10 IDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1548236032 WDJMEZKASBJPAW-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1=O 1554353046 PMIPFXDIJMZFPT-HSZRJFAPSA-N 435.532 1.777 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1554407255 MRZPWLKXYHDMMH-NRFANRHFSA-N 448.474 1.973 30 10 IDEE CNC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1554497435 WSKFXLFWLLZEIY-UHFFFAOYSA-N 435.488 1.852 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1555521397 WDJFOTZQXFUPOE-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1555810726 KXXTYZMSWGYZNJ-UHFFFAOYSA-N 437.485 1.411 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2CCN(C3CCOCC3)CC2)C1 1564530648 GMHPGQWQQQCJCH-MJGOQNOKSA-N 435.569 1.936 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588049243 CTQMBNRUQLTRNU-QGZVFWFLSA-N 431.566 1.092 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588054291 MZFCQAUIOWBPTQ-WJFTUGDTSA-N 436.578 1.470 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1588139067 KRFPFVQTJVYMBE-FQEVSTJZSA-N 448.552 1.546 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)COC1 1588472953 JMZHVMNMQASNLT-HNNXBMFYSA-N 435.525 1.704 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1589135228 VLJBCISCWQBBKE-QGZVFWFLSA-N 431.566 1.900 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(N)=O)C1 1589581738 WCDCFSLEWXJVFX-JVOBEXOSSA-N 433.553 1.685 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597169142 SJIYNRSXKWWUQM-HJPHCXOUSA-N 443.508 1.037 30 10 IDEE CN(C)[C@@H](CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1597436028 DYBBMUKAOXYVOI-GJZGRUSLSA-N 425.411 1.762 30 10 IDEE CN(C)C(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617602540 FUOOMGRAZPXKPX-UHFFFAOYSA-N 445.531 1.335 30 10 IDEE CNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1618672152 NDRWTJNQJYCWLJ-DYTRJAOYSA-N 441.536 1.425 30 10 IDEE COC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CCCC1 1619052213 FEWGJCPZWZBFIT-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)[C@H](C#N)C1 1621714761 CHTYNAYNCHUMHP-CABCVRRESA-N 435.502 1.583 30 10 IDEE C#CC[C@@]1(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)CCCN1C(=O)OC(C)(C)C 1625115400 IHQKVOWRWCIVKY-NRFANRHFSA-N 448.545 1.984 30 10 IDEE C#CCN1CCC(C(=O)N2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1629969253 ABQWQSBIGQSEJA-QHCPKHFHSA-N 427.549 1.976 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Nc2ncccn2)C1 1630960915 HLZNXIRSKOTYTN-INIZCTEOSA-N 442.545 1.789 30 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Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCC#CCN3CCOCC3)cc2)c1 1890411684 OHGLHGAMRUZYLS-UHFFFAOYSA-N 441.553 1.539 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2073246482 TUKJGIRUFROOMB-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE CN(C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124535257 WDQBDAIQBOBBKT-MRXNPFEDSA-N 447.341 1.717 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243426895 NJKWJOJEOJMQAA-KBPBESRZSA-N 432.348 1.386 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F)C(=O)O 2247253957 AOXUZLWRSUVHGF-GFCCVEGCSA-N 426.250 1.877 30 10 IDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2248405248 PWXVHVDYHYJRTK-CQSZACIVSA-N 440.371 1.891 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602232 OWRPLELEFPIKMO-KBPBESRZSA-N 436.318 1.121 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255624622 ZMRVAJDLZASXCI-KBPBESRZSA-N 434.346 1.847 30 10 IDEE Cn1cc(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255826335 OMWSVQBCWKTSKQ-UHFFFAOYSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255876441 MOZFLWYQYHLWKR-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255955501 OVZYDIVTQURCDP-UHFFFAOYSA-N 446.382 1.190 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929819 WNBGWYPCVHZTHJ-XJKSGUPXSA-N 429.282 1.497 30 10 IDEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258956146 WEQRUGIQDXMZAR-MRXNPFEDSA-N 432.330 1.987 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(O)cc2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296939493 KUUYWRLDNSCJNU-SFHVURJKSA-N 428.397 1.731 30 10 IDEE N/C(=N/O)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCO1 123413196 HMJRETMMGDYTDZ-VIFPVBQESA-N 443.117 1.348 30 10 IDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)cc1 427403367 HWKSMETVMUAUAG-MRXNPFEDSA-N 438.484 1.823 30 10 IDEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 460966198 HFHWWMLNIOFZHO-AWEZNQCLSA-N 444.351 1.463 30 10 IDEE CCOC(=O)[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(OC)c(Br)c1 464062888 RQWOKIMLWJTFHV-BONVTDFDSA-N 436.266 1.902 30 10 IDEE COc1cc(OC)c(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)c1 464824850 BMGXXQNWZRUCLL-AWEZNQCLSA-N 426.477 1.794 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@@H]3CC(N)=O)nnc12 477933186 DRUDIOHEGWSTGV-CQSZACIVSA-N 440.529 1.579 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@@H]1CCCO1 480941583 YHDSXGZSWCFQCC-ZBFHGGJFSA-N 430.526 1.946 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 483232258 GUCQRFBWDKOUKH-GBESFXJTSA-N 428.489 1.806 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1C#N 489076683 MXCLTTRBPDXROD-UHFFFAOYSA-N 430.515 1.880 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OCC)CC1 492356096 YKWHSLHUSHIQEQ-LJQANCHMSA-N 428.533 1.136 30 10 IDEE C=CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 492956817 VKRRMXFMUYGWNT-UHFFFAOYSA-N 431.474 1.417 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)c1 505103172 OPYKLSBZZUMVAJ-GOSISDBHSA-N 441.553 1.373 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)CNc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 508032882 NSSXZQFFFPKGNO-FQEVSTJZSA-N 435.532 1.352 30 10 IDEE C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 513963762 WQBGCNLJNLZGKC-MRXNPFEDSA-N 429.498 1.351 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1C#N 521289679 LFZNVUNERUPUMP-ZBFHGGJFSA-N 431.562 1.833 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCOC3)CC2)n1 573582164 IWCSTAULRZJVCE-GOSISDBHSA-N 446.515 1.978 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c(F)c1 586864557 YEQYQNBBRLIFNW-UHFFFAOYSA-N 449.486 1.047 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1=O 610598716 DVHITWHCBFRRTJ-QRWLVFNGSA-N 432.502 1.214 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(NC(C)=O)c1 727417668 IPVKQVDTKFKODY-UHFFFAOYSA-N 436.493 1.480 30 10 IDEE COc1ccc(OC)c(-n2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)c1 729672187 BCDAMDAJOLGGOV-UHFFFAOYSA-N 429.461 1.591 30 10 IDEE Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732663781 GKNUBUNFONHIPF-KRWDZBQOSA-N 428.514 1.879 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCN1C1CC1 732674322 MHIBMMHWTCOSPX-OAQYLSRUSA-N 440.548 1.229 30 10 IDEE COc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)N2CCOCC2)cc1OC 732677027 QWHKEGDVBJENNA-VQTJNVASSA-N 443.548 1.459 30 10 IDEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 732898975 MDIPPYWVSXRAJX-LJQANCHMSA-N 445.566 1.985 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(C)C)c2=O)cn1 735069233 PMIHYBKVDUSUMW-UHFFFAOYSA-N 445.614 1.251 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)Nc1cccc(C#N)c1 755186120 LBZMZVLBCBFVRY-MRXNPFEDSA-N 430.461 1.556 30 10 IDEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)O 757209655 LYSWQQHKYNJBAG-NHCUHLMSSA-N 436.464 1.869 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 758157292 XVKSVLMVWDZVEE-MOPGFXCFSA-N 434.581 1.744 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CSc2nnnn2CC(F)(F)F)CCCCC1 760401430 IXIMEKLIDIKULJ-UHFFFAOYSA-N 426.446 1.248 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2ncn(C)n2)C1=O 768422885 VMRYVWRZLGOUPE-OAHLLOKOSA-N 449.968 1.668 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 769612802 GDFPAINHBTYTGV-ORIGZDJFSA-N 425.407 1.889 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 783958515 URVUJQXWPUZFSK-UHFFFAOYSA-N 427.869 1.977 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)[C@@H]1c1cncn1C 796708362 CZCORLVHMOIBLP-OXQOHEQNSA-N 443.529 1.795 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800775764 SAVJCANWVMUYLT-CQSZACIVSA-N 442.586 1.910 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H]2CCCO2)CC1 802685840 POVAQDYVOFZEOO-HXUWFJFHSA-N 436.564 1.386 30 10 IDEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807936262 LSPJESBLTPHZPC-QGZVFWFLSA-N 447.540 1.462 30 10 IDEE C#CC[C@]1(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)CCCN1C(=O)OC(C)(C)C 809732746 PHGRDAUMFAFFOH-ZMBWWWNNSA-N 448.516 1.731 30 10 IDEE C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O 936070213 JOVLCJDINAUYJW-GYKIMFSQSA-N 442.530 1.609 30 10 IDEE in-vitro COc1ccc(O)c(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1 1084015390 KIXDPVWOGXZALD-UHFFFAOYSA-N 441.517 1.869 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cn1 1084111911 QHCKTOXLKIUXQC-UHFFFAOYSA-N 429.485 1.368 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1116542280 QJWNXEFRHXYUKE-OAHLLOKOSA-N 443.953 1.576 30 10 IDEE Cn1nc(Br)cc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1129308385 DGCYRSCMIHLZJU-GFCCVEGCSA-N 431.250 1.898 30 10 IDEE CCn1c(CCC(=O)N(CC#N)CCC(=O)OC)nc2cc(S(=O)(=O)N(C)C)ccc21 1132451687 IGMZMWGAXDQOFS-UHFFFAOYSA-N 449.533 1.154 30 10 IDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 1135982162 FUAMNCBHKPGICV-IBGZPJMESA-N 430.555 1.835 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2cnn(C)c2)c2noc(C)n2)ccc1F 1141500124 BBTHMHZSKCAUFW-MRXNPFEDSA-N 434.453 1.234 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1B1OC(C)(C)C(C)(C)O1 1157542722 KPTRIJXYPUXJRL-MWTRTKDXSA-N 441.337 1.887 30 10 IDEE CN1C[C@H](N(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCC1=O 1194647775 CILJJQJXPXJOJJ-SJORKVTESA-N 427.549 1.909 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 1256626162 JORLAMGRMOISOU-ROUUACIJSA-N 447.605 1.985 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)ccc1F 1276051705 SIKDDUQFZPDSTG-KRWDZBQOSA-N 435.452 1.964 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1286415752 LLKNDGZSAVWOEC-MRXNPFEDSA-N 445.570 1.310 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2n[nH]c(C)n2)CC1 1286486926 IMKQZYXQKFEKMA-UHFFFAOYSA-N 448.531 1.589 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCCC2)CC1 1286494365 MIAYUONBLKXSNH-OALUTQOASA-N 445.564 1.273 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1286689003 VZXYKZTYDLIELP-GOSISDBHSA-N 440.614 1.498 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286709405 SQJRYYLYVLRKSK-QFIPXVFZSA-N 439.520 1.747 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286790046 NFPRIMRNDCSIFC-AWEZNQCLSA-N 432.550 1.378 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1286792350 VKKKFZDNNQNOSS-JOCHJYFZSA-N 443.504 1.164 30 10 IDEE CC1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1289024557 VKZIGJNEMUCTAZ-UFOSLELVSA-N 427.509 1.382 30 10 IDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)OC 1292184830 NXRVLYZUJPPTRA-MSOLQXFVSA-N 437.504 1.714 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C 1296009879 IVMPAPMGLZBVGF-JENIJYKNSA-N 437.548 1.926 30 10 IDEE CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1298104450 DKJCCAOKFFIPMQ-UHFFFAOYSA-N 443.577 1.320 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCSCC1 1299225821 DYTMKXOVDVZUOM-UHFFFAOYSA-N 443.577 1.350 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300421799 RSPGGRMOKGFEIV-GOSISDBHSA-N 433.582 1.319 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1300483975 NLDRBMGUYUXHTR-LDBYXDLTSA-N 433.578 1.429 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1300497434 BLWISFQEDVSBRE-LJQANCHMSA-N 444.605 1.478 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1300613303 DVKLFEMETNAWBE-QGZVFWFLSA-N 445.545 1.600 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1300788260 VNIXTFOWVBECFG-UIFIKXQLSA-N 436.578 1.746 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301030763 SMFJBZSPNFBNMB-UHFFFAOYSA-N 444.923 1.205 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1)C1CC1 1301312659 JLMZMDBEVINUPX-UHFFFAOYSA-N 425.537 1.851 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301485014 PWJZOQYHHYMMIR-HXOBKFHXSA-N 436.516 1.893 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnccn1 1301497149 PRFZCKGVNUKXOP-UHFFFAOYSA-N 431.460 1.323 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)C1 1301555020 RCESFDNYRNAOAF-QZTJIDSGSA-N 430.553 1.803 30 10 IDEE CC(=O)N1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1301769804 FNRMHGCBCAIQCN-KNQAVFIVSA-N 429.569 1.466 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1302438972 MGYAMRLIZKOSSR-MRXNPFEDSA-N 428.518 1.109 30 10 IDEE Cn1c(=O)[nH]c(NC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)c(C#N)c1=O 1307169311 LIZGLNZABJLMMJ-UHFFFAOYSA-N 447.293 1.816 30 10 IDEE Cn1nccc1CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1308162287 WLHYZFHSMJSNCD-LJQANCHMSA-N 427.578 1.008 30 10 IDEE Cc1c([C@@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1ccc(F)cc1 1311774031 CEFCRNYOFAMQKC-GFCCVEGCSA-N 425.424 1.514 30 10 IDEE C#C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1ccccc1 1312830198 RFUFLGCAJQJFLX-SFHVURJKSA-N 427.482 1.504 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316540362 UONWPTWKZIDXJV-QRQLOZEOSA-N 442.495 1.732 30 10 IDEE COc1cccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1346064875 KEGWFNSRGCHIHQ-SJORKVTESA-N 444.488 1.858 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1358922557 JJJHLBOLZYQPQM-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@@H]1C 1358930147 PGQYIYMCAGILTL-XHSDSOJGSA-N 427.596 1.355 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1359026846 MNSGUEXBWZZGSF-SFHVURJKSA-N 429.496 1.997 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1359028077 GPKKPUBWCABGBZ-SFTDATJTSA-N 443.640 1.930 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2CC)CC1 1359035985 JZNWTJLXMBNJEI-FQEVSTJZSA-N 427.574 1.546 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC1 1359045889 XDTIIKAEPBHZSF-GOSISDBHSA-N 449.621 1.972 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)C(C)(C)C)C1 1359320350 PHXPMOBUVNXVDG-HUUCEWRRSA-N 425.555 1.224 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1359474495 SKSSNTCZVBNXLR-YJBOKZPZSA-N 449.533 1.448 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2ccc(C#N)c(Cl)n2)CC1 1360296799 XJQAITLBKHFJAG-UHFFFAOYSA-N 433.921 1.473 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(CO)c2)CCOC1 1360347930 POLZDDPIYUTUEU-SIKLNZKXSA-N 427.505 1.588 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 1443348033 CEJIRHDJAFNPBX-UHFFFAOYSA-N 437.338 1.758 30 10 IDEE C#CCN1CCC(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1455942832 IMJPGNMGEDQHCR-KRWDZBQOSA-N 427.567 1.440 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)c(Br)c1 1463744631 AABBMDDDHDUBAT-GFCCVEGCSA-N 448.339 1.827 30 10 IDEE C[C@H](NC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 1469755568 CHLYZQNVRFIVEI-MGPUTAFESA-N 425.514 1.830 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCn3ncc(Br)c3C2)cc1 1470141993 DQGSQSIXWXTDHY-UHFFFAOYSA-N 438.307 1.494 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)cc1F 1470669080 ZLWFIVBGWCZSTE-YJBOKZPZSA-N 443.928 1.989 30 10 IDEE C[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1494547935 AODRMKKYRAIEKC-LPHOPBHVSA-N 444.561 1.571 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)c1 1504123768 DOSJRGBFRUSTTF-UHFFFAOYSA-N 448.549 1.642 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCOCC2)cc1 1504305046 CXDNYKXWTKWODY-HXUWFJFHSA-N 431.468 1.849 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505026912 CYKMIEFXRIIGEF-ZJYNUGOYSA-N 441.492 1.041 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C2CC2)CCO1 1505321098 GOXPQWRRJLOHHK-MRXNPFEDSA-N 432.431 1.801 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1507642954 OFDCOVDEROXGAF-QGZVFWFLSA-N 437.529 1.195 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1507659170 XXAWMYXVVFBWBA-UHFFFAOYSA-N 435.532 1.499 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1507675636 CZSPPPXLQRZBBJ-KNQAVFIVSA-N 429.590 1.800 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(C)COCCO2)n1 1507716122 GZIQQOKXQAWFCJ-GCJKJVERSA-N 444.536 1.070 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2COCCO2)CC1 1507722940 OKTQHRWTMRJVGR-INIZCTEOSA-N 446.349 1.878 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097573 JAOHCJZJQOXXIH-OKILXGFUSA-N 430.513 1.828 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nnc1C(C)(C)C 1508099164 VKWAWKMUEGGBNC-KDURUIRLSA-N 431.629 1.873 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2cccn2)CC1 1508138957 BDIJASKZFKPWRF-UHFFFAOYSA-N 444.565 1.393 30 10 IDEE C=CCSCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1508167767 LDYWMLARUZMRQO-APWZRJJASA-N 444.623 1.861 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1516069813 QNUVWBOJXAJAKN-QFPXGYFVSA-N 445.524 1.643 30 10 IDEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1516667159 GOTDMMHCMBIYIZ-SJORKVTESA-N 437.566 1.506 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCOC1 1517926448 GOAAWJWHKSRMRT-NQIIRXRSSA-N 445.545 1.636 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CCCCS2(=O)=O)n1 1539424456 PZUQSEKMFUCSNK-IBGZPJMESA-N 448.593 1.852 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1539428954 YPVYPHDAWSIGPD-XMMPIXPASA-N 436.560 1.567 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC(F)F)CC1 1539446194 UGGXSQRBBIWIJD-UHFFFAOYSA-N 443.458 1.631 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(N(C)C)c2)CC1 1539462672 LBEUYFBDRGSZAJ-UNMCSNQZSA-N 438.576 1.872 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1539576862 CJKXKXDYOAAEBS-HUUCEWRRSA-N 440.342 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1540898395 JEWSZXOCFBQGMU-CQSZACIVSA-N 426.564 1.788 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541469244 HBGCADQBAIPYHK-VXPUYCOJSA-N 429.569 1.924 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1541803166 DJDXKRUSVUQGBV-MAUKXSAKSA-N 446.533 1.564 30 10 IDEE CCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1546850301 GVQQGZMWMWYDGC-JOCHJYFZSA-N 439.520 1.487 30 10 IDEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1555124120 FBEGBJXIXMJQRP-UHFFFAOYSA-N 433.472 1.507 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H](C)O1 1555385310 FCJVZIOGFCNWNM-FMERGGRFSA-N 427.505 1.597 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1555420418 DBNBHFYLCJYLKS-CVDCTZTESA-N 438.532 1.805 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](N4CCOCC4)CC3)C2=O)cc1 1556569070 NUYFXNTZGOMWRA-ICSRJNTNSA-N 439.516 1.477 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1559939676 WRHIEFZJARJYAF-INIZCTEOSA-N 425.501 1.533 30 10 IDEE C#CCC1(O)CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1560098799 SKADZFLYZZGRHY-SFHVURJKSA-N 449.573 1.193 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCSC[C@@H]3c3nn[nH]n3)C2)C1 1567809317 UPYUFMAYXDQHRV-UWCWSIQASA-N 433.538 1.603 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCNC(=O)C2CC2)c1 1587689940 TYFXCYKVOPDSJP-UHFFFAOYSA-N 445.527 1.866 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1 1588073775 DLIBNEIISWBCTQ-UHFFFAOYSA-N 436.516 1.004 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(S(C)(=O)=O)CCC2)CC1 1588848708 LYPIUANTIXGJAP-UHFFFAOYSA-N 445.564 1.731 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC(F)F)CC1 1588865631 ZBCWXEFYJNTVIC-UHFFFAOYSA-N 441.486 1.418 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1589135087 SQMSDIQSQMZGLJ-OAQYLSRUSA-N 426.546 1.998 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1593884041 AXQDDMQHRMIUKF-RHSMWYFYSA-N 428.946 1.494 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1594567155 NCELXQULZDVBBZ-UHFFFAOYSA-N 440.552 1.593 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1595460719 CRPIQUZQJMFTDH-RDJZCZTQSA-N 427.509 1.009 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1595550720 IGZCWXMXUVWMCT-QGZVFWFLSA-N 441.536 1.205 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1596782533 IZCJFZYZGMWWJF-SJORKVTESA-N 426.525 1.511 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCCNS(C)(=O)=O)C1 1611767501 OAEGGQASGYRAEI-LJQANCHMSA-N 449.537 1.075 30 10 IDEE CN(C)C(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617602245 AWJRICDOHDMPIP-UHFFFAOYSA-N 432.488 1.277 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)c2C#N)C1 1618706143 RTKWAIXBNOCARC-MOPGFXCFSA-N 439.497 1.456 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1C[C@H]1C 1620016325 CXGKZGGACSKYJF-NXHRZFHOSA-N 442.568 1.898 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 1623762693 SLWMXLVGHBCRFU-SFHVURJKSA-N 447.557 1.896 30 10 IDEE CCS(=O)(=O)N(C)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1624577825 BAAUICCWWOBYRR-LFDOHDQPSA-N 442.582 1.561 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](SC)[C@H](N3CCCC3)C2)s1 1624667082 MZVKWHQEKBGGHR-CVEARBPZSA-N 429.633 1.793 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1624816716 JYJMSNUMUQNXFX-KGVIQGDOSA-N 445.541 1.423 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc[nH]n1 1627036854 GHQJOYXLNOUNDE-SFHVURJKSA-N 427.505 1.722 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1627800033 HCOGKBMUCPERKX-IRXDYDNUSA-N 442.582 1.103 30 10 IDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1628216069 IXZKDZJZABDFFI-UHFFFAOYSA-N 430.368 1.790 30 10 IDEE COC(=O)[C@H]1CN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C(=O)OC 1634175298 YRGMIRVARYXOGG-IRXDYDNUSA-N 425.445 1.062 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1636327870 DKSVNKVNLCRQLN-JSGCOSHPSA-N 426.315 1.670 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1639210477 FEXVUHGIXOCBSY-NHYWBVRUSA-N 426.336 1.839 30 10 IDEE Cc1nsc(N2CCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1C#N 1641801518 DGRBTPCNZNGTLU-CQSZACIVSA-N 432.527 1.597 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](CCO)[C@@H](CO)C2)cc1 1655116887 QPBLWAAAVIILAE-QZTJIDSGSA-N 426.517 1.836 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1656358838 LSGXQWDIGARCHF-SJORKVTESA-N 434.518 1.215 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cccc(-c3ccccc3)c2)CC1 1674743972 FEYDAJXTHMNYLC-UHFFFAOYSA-N 426.542 1.691 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 1679797132 XHIHRDRCDNDRMV-OAHLLOKOSA-N 446.495 1.994 30 10 IDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(N2CCCNC2=O)cc1 1682772616 RSMHATKKNKYFFI-IIMJZQEZSA-N 431.518 1.247 30 10 IDEE C#CCN(C(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1686928698 ZGXMUNLPLYIOCS-QGZVFWFLSA-N 427.567 1.856 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1689827861 JNPDLBBUGQYTSA-KGLIPLIRSA-N 440.570 1.213 30 10 IDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 1689878438 IEYLWOQQODFDCP-UHFFFAOYSA-N 444.561 1.277 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1689965828 DUIVWXZUXUGSRW-KRWDZBQOSA-N 439.488 1.201 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1689972382 MZBCULWVPNIOON-OAQYLSRUSA-N 436.560 1.852 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1689990841 SPKLURQPJDKBOT-KSZLIROESA-N 438.619 1.942 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1689993955 OFXDKBLXTCPXRO-PMACEKPBSA-N 442.589 1.232 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1690107805 DEZCBJHVJWEVNF-GOSISDBHSA-N 447.561 1.514 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1690108341 VIOZFTJGETYBAF-FAKFISEUSA-N 448.564 1.816 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1690115095 RRLDNBHPQAPQDR-IERDGZPVSA-N 426.477 1.148 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCc2cnn(C)n2)CC1 1690133515 KEEYVJYRGSQRTF-UHFFFAOYSA-N 448.575 1.936 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnccc2OC)CC1 1690375891 WKVXIONVIAQFMN-SFHVURJKSA-N 448.549 1.219 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690666254 XUUNBEWCWGKUKA-KRWDZBQOSA-N 442.520 1.971 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1690668682 FCUHQOSYBXHKNQ-IBGZPJMESA-N 443.552 1.535 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1=O 1692423670 HLJQOXDQTUMUFC-UHFFFAOYSA-N 437.548 1.894 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1705497473 BFOGAECSQLCFQN-SJORKVTESA-N 426.546 1.799 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCN(c2ccccc2)CC1 1705500301 KLAGXBFGEMCXSX-LJQANCHMSA-N 449.559 1.207 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1705524941 VIVZNXRGKLPODB-KRWDZBQOSA-N 446.577 1.993 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1705551109 GTWUWMOZJIAMDE-OAHLLOKOSA-N 431.509 1.506 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1705560780 NLKUNRFXIBKSAT-AVRDEDQJSA-N 428.558 1.862 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705571404 YXQJEOMPWORFCZ-RTBURBONSA-N 434.537 1.789 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC2(O)CC2)CC1 1705634259 PJOKLEPHRXVUFC-UHFFFAOYSA-N 446.349 1.996 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCC(O)CC2)CC1 1705637153 LHNSXDFBYGRIKG-UHFFFAOYSA-N 438.576 1.556 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1705646620 KEBYKYOESBJXMB-UHFFFAOYSA-N 433.516 1.307 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[C@H]21 1705904548 RLOHVEUICAWRLV-ZACQAIPSSA-N 446.552 1.877 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCOC2)C1 1705907401 LNLMKWXWKHJINM-QHCPKHFHSA-N 425.533 1.991 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705943112 OFIQVALGQBZWJB-UHFFFAOYSA-N 429.594 1.603 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1706935253 OFZNLUMIFUSNHW-FOIQADDNSA-N 446.533 1.220 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)C 1722280553 KPGRWRKBCLWLDJ-INIZCTEOSA-N 446.577 1.568 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1722351091 GOMHSTYIRKVOLH-UHFFFAOYSA-N 431.504 1.064 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722365499 FBFOMZCXDUDGRZ-OAGGEKHMSA-N 444.504 1.223 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1722367559 MHPVYQHGCGHOML-IBGZPJMESA-N 447.605 1.965 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1722370555 CLLXWQADRNFTMH-AWEZNQCLSA-N 436.488 1.633 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722458505 LWFJCFGBIPRKAP-FUHWJXTLSA-N 446.621 1.973 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1722473665 GZNQNDWSWLLORC-KMNVGERZSA-N 426.608 1.720 30 10 IDEE C=C(C)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722553207 ICZHULRAVHLRTR-FQEVSTJZSA-N 441.598 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(C)(C)C)CC1 1722729732 VNGNHGPYZLLVOQ-UHFFFAOYSA-N 432.594 1.785 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1723057432 GPSCLCLEGNGKKN-CZIZESTLSA-N 441.536 1.377 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCOCC2)CCOC1 1723682694 QHWSNWUPMFBRIH-UNMCSNQZSA-N 433.553 1.990 30 10 IDEE COCCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)CCOCC1 1730886988 WYFORTWUVNXAGI-UHFFFAOYSA-N 448.568 1.759 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740587241 COQUMVIZHIFZPL-HXUWFJFHSA-N 430.516 1.497 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCn1c(O)nc2ccccc21 1740633187 YRMCWZKBMXIKCR-QHCPKHFHSA-N 434.500 1.759 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740667985 XRHBMBJABPEMTC-UHFFFAOYSA-N 431.548 1.780 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(Br)cs2)CC1 1740694596 NZGKWJKBRATZSR-OAHLLOKOSA-N 449.378 1.857 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740801512 BGKZEWPPMSPTON-GXTWGEPZSA-N 427.962 1.888 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1740851536 YWZGGDMMNWKGAA-QGZVFWFLSA-N 436.582 1.953 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740869002 YOUVUNHMTXIVLB-OAHLLOKOSA-N 438.492 1.364 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740987911 OAGHUDKOYFWROP-INIZCTEOSA-N 431.562 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740992224 NBUOMZMZDDIQHC-SFHVURJKSA-N 425.599 1.236 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCSCC1 1740992719 MLWNKTVRKYWZLJ-UHFFFAOYSA-N 432.575 1.671 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1741389576 GKFJXJIQUBZUON-WIYYLYMNSA-N 429.546 1.849 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1741673531 QURFKNLQDUIXQB-UHFFFAOYSA-N 440.508 1.267 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1741798532 HWLUYHUYNANBKX-AWEZNQCLSA-N 443.537 1.111 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741991747 MWVADWGPVAAZCN-XXJLXKPQSA-N 427.509 1.164 30 10 IDEE C[C@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1742012719 DARAVMSKUGYCKJ-OALUTQOASA-N 434.497 1.517 30 10 IDEE CCc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1744550029 WPLIQYMCUJHING-MRCUWXFGSA-N 438.488 1.775 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)[C@H](C)CC 1748672349 SIRLOFPILLADHL-QZWWFDLISA-N 427.571 1.130 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1748790464 YSKQYTKNBOBEML-KKSFZXQISA-N 435.525 1.461 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748799286 FNEXINPCUFHSRS-QGZVFWFLSA-N 431.562 1.770 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCSC1 1748969271 RZIYHBRKRWHTOH-LJQANCHMSA-N 435.575 1.224 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCC(=O)NC 1749119936 YNKTXQGULZGGNJ-VQIMIIECSA-N 441.536 1.869 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1749229611 MMCZWIFCERZPOB-LJQANCHMSA-N 449.577 1.840 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2nncn2C)CC1 1749293201 FMGOFCPTMMUWBG-UHFFFAOYSA-N 442.549 1.529 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749369804 ZKRVNTFZDCOKOP-HOTGVXAUSA-N 432.504 1.007 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1749427723 TXAGPEWJVHABIM-HOTGVXAUSA-N 427.571 1.581 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)NC)CC1 1749658955 ZNMHSOQVOWJFDM-UHFFFAOYSA-N 431.928 1.648 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749677695 IGKJKTYXEKJZSA-MOPGFXCFSA-N 449.515 1.278 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)C1 1749719462 WAKPDOXTSAPNKV-KNQAVFIVSA-N 430.505 1.798 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCOCC2)cc1C 1751543948 AQGPICNCYDIYDT-SFHVURJKSA-N 440.504 1.418 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1760185104 PRJOFZHXEPGPEY-KRWDZBQOSA-N 446.529 1.727 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1760187539 JZXVYXKMIJTZGS-VAMGGRTRSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1760187682 LIDNWGFCLSBDJK-FUHWJXTLSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1760195217 YZLUVYVLTHYABD-MRXNPFEDSA-N 443.529 1.055 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760234934 XYLJNGGXNRIGAA-GJZGRUSLSA-N 428.459 1.342 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1760351223 CBOWRQSPGZOJHC-MRXNPFEDSA-N 433.534 1.253 30 10 IDEE C=CCCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1760449937 ZLFKKIWEABWYDL-KRWDZBQOSA-N 449.515 1.996 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760524655 FCHWZIVBUAJXCW-IAGOWNOFSA-N 433.578 1.737 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1760526998 KQHGVSQPUCPJRR-UHFFFAOYSA-N 426.521 1.705 30 10 IDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761037710 OIHQKLJGCARMMA-UAFUQJIBSA-N 438.536 1.180 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCS(C)(=O)=O)CCOC1 1761287138 LSAKPCLHSQPNPN-LJQANCHMSA-N 425.555 1.493 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1765635399 LNJBNMPBEAAAJZ-HXUWFJFHSA-N 435.532 1.420 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1767373266 NLKLPCUNWWJSAF-KRWDZBQOSA-N 433.476 1.138 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1768930603 CKMZWAYPNCSDKH-BJLXPSRBSA-N 429.546 1.907 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@H]2C)cc1OC 1770086040 APPWFWONHCKATE-CMPZQBNXSA-N 429.477 1.231 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770918469 BJLMIOYQBTWNKM-MBOBHEEDSA-N 447.499 1.816 30 10 IDEE N#Cc1c(NC(=O)CN2CCN(Cc3nnc4n3CCCC4)CC2)sc2c1CCC2 1850692856 CMUCWFWMXFFMIF-UHFFFAOYSA-N 425.562 1.793 30 10 IDEE C=CCN1CCN(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccc(OC)cc2)CC1 1852654646 OWZIROCSIJIFRP-UHFFFAOYSA-N 430.530 1.616 30 10 IDEE CCC(=O)N1CC[C@@H](C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)C1 1852793830 SSPIADQRJZGCCT-CYBMUJFWSA-N 425.942 1.592 30 10 IDEE O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853178959 IRZMPGXINJLYRI-SNVBAGLBSA-N 447.391 1.639 30 10 IDEE C=CCN([C@H]1CCN(C(=O)c2sc(-n3cccc3)nc2C)C1=O)[C@@H]1CCN(C)C1=O 1854226923 SHFZIXIAQMIMAJ-CVEARBPZSA-N 427.530 1.702 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1F 1855005096 VSGLMRJFXRBBRB-ZDUSSCGKSA-N 433.436 1.827 30 10 IDEE COc1cccc(CC(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)c1 1856004419 BLLZGVPYYHZKMC-UHFFFAOYSA-N 427.482 1.888 30 10 IDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1=O 1856466571 VKJBMOVVJMNCLJ-IRXDYDNUSA-N 438.937 1.466 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1856552615 IYUOVOOZWHZOAU-WMZOPIPTSA-N 430.530 1.304 30 10 IDEE N#Cc1cccc(C(=O)N2CC[C@H](NC(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 1858298201 HZNHKLARDWNWIT-SFHVURJKSA-N 430.464 1.965 30 10 IDEE COc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858323041 YWIBPOSDCLFXBT-INIZCTEOSA-N 435.527 1.617 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCOCCO 1870539070 VKPOWJVPWSMLKY-UHFFFAOYSA-N 445.516 1.319 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CC)CC)cn1CCN1CCOCC1 1870629904 DERDMXNUXRBGAO-UHFFFAOYSA-N 446.592 1.602 30 10 IDEE C=CCN([C@@H](CCSC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 1872275992 VIPSEIHBFVNOHO-IBGZPJMESA-N 440.635 1.946 30 10 IDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 1872649774 NPHCYETUJGVBLA-LLVKDONJSA-N 448.501 1.905 30 10 IDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1O 1874273856 LLNFDSXOODJOQS-IKDHMPEHSA-N 446.533 1.566 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987543411 VRLDSKXYVSUJQJ-BZUAXINKSA-N 425.526 1.780 30 10 IDEE CN(Cc1sccc1C#CCN)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2100770141 JIKFAMNAZASRMI-UHFFFAOYSA-N 431.539 1.506 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCc1ccc(C#CCO)cc1 2178272100 GKJNQRXZIIJGCM-UHFFFAOYSA-N 426.494 1.179 30 10 IDEE NCC#Cc1ccccc1CCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2187756119 KESMSTUSRCAQFT-UHFFFAOYSA-N 425.510 1.145 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243394021 BUUJSMCPUYWJNZ-MRXNPFEDSA-N 440.309 1.850 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247922958 QFDPEQBIZDKOAH-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255633044 VRCQYLSESKNJQN-QGZVFWFLSA-N 426.326 1.340 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255646000 STQNIAUZMCMEPN-SNPRPXQTSA-N 430.314 1.513 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255827056 GKMMTHRUZAXZCT-ASSNKEHSSA-N 432.330 1.696 30 10 IDEE CN(CCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2255864796 ZQTLAFBJFHRPCC-UHFFFAOYSA-N 437.346 1.927 30 10 IDEE C=CC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255880933 NLJNBUHKKVIQGC-UHFFFAOYSA-N 430.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256069662 PAUXAPRCUCLNKS-AWEZNQCLSA-N 432.330 1.763 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256619459 YWAHUEAJLXSVHJ-SMDDNHRTSA-N 439.293 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256621663 XRXJAZUWGRFDNX-OAHLLOKOSA-N 435.330 1.512 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2267491985 MEDTUSUWGXDDKJ-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE CC1(C)OB(C2(C(=O)N3CC(O)(C4CCN(C(=O)C(F)(F)F)CC4)C3)CC2)OC1(C)C 2267503433 DCVOATVUCXGQLH-UHFFFAOYSA-N 446.275 1.987 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2cccc(F)c2)n1N 59914408 YNJJJPUVYBCWJJ-ZVBGSRNCSA-N 447.500 1.113 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(O)cc2)[C@H](C#N)C(=O)N3)CC1 101442524 PHYVMSDAZAYJRV-JKSUJKDBSA-N 437.456 1.479 30 10 IDEE COc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OC 254700306 ABNYMCRMPVKLKV-UHFFFAOYSA-N 429.481 1.008 30 10 IDEE N#Cc1ccc(F)c(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 466203564 SIPSDSXNIZYYEF-UHFFFAOYSA-N 427.461 1.785 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc(C#N)c(SC)nc3O)C2=O)c1 477605570 KSYYDCPCEVMGPK-MRXNPFEDSA-N 428.470 1.933 30 10 IDEE COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(F)c1 481776919 IUDBVNWUNYNLFE-PBHICJAKSA-N 447.488 1.512 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(N3CCOCC3)n2)cc1 483620180 KNWVZTLEODAIBW-OAHLLOKOSA-N 429.502 1.926 30 10 IDEE CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 503280678 BLQHKBFUFPYHJK-HNNXBMFYSA-N 448.321 1.488 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 558216113 WIQDYDNGPSYSBZ-MRXNPFEDSA-N 432.468 1.627 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@@H]2CCCO2)n1 572903373 NOOAWULDFXTTQV-FQEVSTJZSA-N 447.547 1.912 30 10 IDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 577194246 GOHKMADMVXUMFT-SFHVURJKSA-N 430.940 1.958 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)s1 604002352 PDCLAYOPDCNJKR-UHFFFAOYSA-N 432.530 1.922 30 10 IDEE C[C@H]1CN(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C[C@H](C)O1 604031599 PXYQRMJKMVPIKH-KBPBESRZSA-N 436.513 1.341 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670210982 AGIBLZURZJEXRJ-CMKODMSKSA-N 434.585 1.567 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)NCCCCC#N)CC1 728957877 KWYUWNLAVMUQDV-UHFFFAOYSA-N 442.563 1.108 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 734973000 VNXJHGJPKHDRNB-SFHVURJKSA-N 436.511 1.870 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCc3cccs3)c2=O)cn1 735067914 BIHQKLSFNIGCFX-UHFFFAOYSA-N 427.555 1.070 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 741389500 HYRQYGFGJFWCSJ-HGSNWSKYSA-N 438.506 1.295 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)C1CCCC1 756911786 WRYNZEZKVQVXLR-UHFFFAOYSA-N 449.573 1.415 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCc1ccn(C)n1 760454246 JELFPPRBAJPMMC-LJQANCHMSA-N 442.589 1.971 30 10 IDEE C[C@H](CC(=O)Nc1c[nH]cc(Br)c1=O)/N=C1/NS(=O)(=O)c2ccccc21 761028979 LTTHNFFLWCFPAD-SECBINFHSA-N 439.291 1.593 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 768078124 HYWCASQQHGNBBQ-DPPKGPFUSA-N 426.473 1.678 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cc1 768421269 LRRVDQRYUYTYGN-INIZCTEOSA-N 429.550 1.323 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)CC1 797480825 LWOJSWDJBDTITI-UHFFFAOYSA-N 434.953 1.334 30 10 IDEE C[C@H](OCC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1nccn1C 809123959 NMBRVAJWZPZLQG-VIFPVBQESA-N 445.270 1.776 30 10 IDEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 917036752 LRNQRZUORAUOKX-XKZIZAOGSA-N 426.473 1.521 30 10 IDEE N#Cc1ccc(N2CC[C@@H](C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)C2)c(F)c1 1152221897 QRMIKSYHPOEUCS-GOSISDBHSA-N 435.459 1.892 30 10 IDEE C#CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1161357223 MHCFRTAINSTLEL-ZDUSSCGKSA-N 440.827 1.708 30 10 IDEE C#CCC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 1175669379 NKNOCLIRVMKKOR-LGMDPLHJSA-N 428.514 1.084 30 10 IDEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1255157303 SYPQHHNXDVSJNM-KRWDZBQOSA-N 449.529 1.285 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1286380517 GFSVYODQLYYIPY-UHFFFAOYSA-N 432.333 1.783 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1CCN(CCN(C)C)CC1 1286411243 QDVPPQBOYKKCHZ-UHFFFAOYSA-N 439.633 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@@H]2C)CC1 1286489100 FRGNUMKGQDVDES-IBGZPJMESA-N 436.560 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)c2ccco2)CC1 1286490842 UGTWDDGNSVZOIJ-JPYJTQIMSA-N 441.532 1.986 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)[C@H](C)CC)CC1 1286495281 ZFTRDUUVKQWGFE-UZUQRXQVSA-N 444.580 1.163 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COC)C1 1286549246 WYCODIIQHKKECK-HZMVEIRTSA-N 427.571 1.342 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286618922 JCNSULIPJBNBRP-SFHVURJKSA-N 436.004 1.871 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(=O)NC)CC1 1286787316 RFRYGHDYHRRZTC-UHFFFAOYSA-N 448.531 1.395 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)N(C)C 1288672843 FJWJZVBLWDQOQA-NSISKUIASA-N 437.548 1.926 30 10 IDEE Cc1ccc(C(=O)N2CCN(c3nc(N)ns3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1294502067 GXXKCAOSEATEKG-UHFFFAOYSA-N 429.355 1.690 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1300485598 XLKYDIDDCAPXQE-MSOLQXFVSA-N 438.594 1.788 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1300494991 AYKOEWYQAIVERY-PMACEKPBSA-N 428.558 1.960 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300496593 SKNXZJVIBSZVCX-HNNXBMFYSA-N 436.607 1.896 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300498204 ISMDERJVVOWMAV-GHTZIAJQSA-N 431.562 1.298 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1300531900 IYEKRKPENVSQFP-QGZVFWFLSA-N 429.484 1.581 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1300756473 OAYMFLNKLGSGNQ-KRWDZBQOSA-N 440.573 1.931 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300982294 GHBFOBIYUPFTFT-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=C(C)COCCn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300991903 XPUGZSXKGTYMQV-QGZVFWFLSA-N 427.571 1.064 30 10 IDEE COC[C@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301054468 ZVWCLVBAKOVIHF-QGZVFWFLSA-N 439.499 1.565 30 10 IDEE C=CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301211573 JECSHJCIQVABTL-UHFFFAOYSA-N 425.472 1.386 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301501390 WANHYXMDEAGABP-MRXNPFEDSA-N 442.495 1.467 30 10 IDEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1310076542 WKSULUXLPMCRJP-MRXNPFEDSA-N 438.550 1.059 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(C(C)(C)C)no2)CCOC1 1314139643 IXJFBPMIIWCRCB-IIBYNOLFSA-N 430.509 1.993 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 1318287746 ZRMXNECLBYKEPK-OAQYLSRUSA-N 442.497 1.136 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(C#N)c(=O)c3cc([N+](=O)[O-])ccc32)C1 1318481395 NBSSDNZRFIUUJD-KRWDZBQOSA-N 427.461 1.254 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1358877171 YJGROEPDKCYITM-KKSFZXQISA-N 447.561 1.459 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1358897138 UFURQOCGKRYWHM-GOSISDBHSA-N 446.573 1.872 30 10 IDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358957121 QAUGHYVCZXFHTB-JKSUJKDBSA-N 448.520 1.709 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCN(C)CC1 1359018369 NHICQIRIVJHORO-UHFFFAOYSA-N 434.610 1.428 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCN(CCC)C2)CC1 1359028622 YGVCIUCKKQEHGM-LJQANCHMSA-N 429.613 1.684 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C(N)=O)CCCC2)CC1 1359029671 DSLIZVOPKBRWDF-HSZRJFAPSA-N 444.580 1.120 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2([S@](C)=O)CC2)CC1 1359039724 SWCKXHNKAJPPLT-PMERELPUSA-N 431.537 1.663 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cscc2C)CC1 1359047187 VMMPNIJDBIDAIB-UHFFFAOYSA-N 440.573 1.785 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359136900 YOSPJVOAPUVERT-FXAWDEMLSA-N 442.582 1.535 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359227262 XSJQLWFXJWIFFY-LJQANCHMSA-N 440.548 1.800 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1359322129 QBRCQRBNKGMBNX-BRWVUGGUSA-N 445.486 1.826 30 10 IDEE CC1(C)CCO[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1360817040 CLPVDKCKFXVEFN-SFHVURJKSA-N 444.561 1.713 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCn4ncc(I)c43)cc2C1=O 1436251260 ZNSDVJILRHUIOX-UHFFFAOYSA-N 448.220 1.930 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1S(=O)(=O)NCC#N 1453905553 ILXBJHUTWWDYRV-QGZVFWFLSA-N 433.511 1.196 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1468032609 KCBSUWVYZHVGOS-INIZCTEOSA-N 437.371 1.082 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)s1 1469040306 SSMPQBZLRZCQPY-MRXNPFEDSA-N 437.518 1.816 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)nc1 1470342512 KJANZIZVPYMMAT-HXUWFJFHSA-N 437.475 1.401 30 10 IDEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3occc3COc3cccc(C#N)c3)C2)cc1=O 1472120941 HOEDZYJDXSFPFX-INIZCTEOSA-N 435.440 1.538 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1503377473 RZIIHSHPBPMEAG-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1505145960 CEYPFJWXBZFBGB-MRXNPFEDSA-N 438.941 1.190 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)C1 1505314498 FFDQFOOIPSTPPF-BZNIZROVSA-N 429.428 1.262 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1507536296 BJAHARUPFKRHOV-YRNRMSPPSA-N 439.582 1.010 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(n1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1507637447 KFVTZSPYBCEWCR-LJQANCHMSA-N 443.573 1.763 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507638563 GFEJFYMRWRQKRK-RTBURBONSA-N 445.589 1.742 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507750150 KEAYJIDNFHEJSA-QGZVFWFLSA-N 427.578 1.788 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1507850958 DDWZKTJOXCAADN-GOSISDBHSA-N 429.546 1.737 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1507868252 GVCHWJTUWMKEQW-AWEZNQCLSA-N 435.978 1.615 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1508093923 WTROHOCQJZKEBO-UHFFFAOYSA-N 433.601 1.159 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1514392599 ZRVRUGVIDTZSIM-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1515392365 BIBQIDHAQNDNOF-FXAWDEMLSA-N 447.586 1.698 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)COC)c2ccccc2c1=O 1515948991 BFCTYDAZPJQMJH-HZPDHXFCSA-N 437.504 1.686 30 10 IDEE COCCOCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1519382382 LJPASDLVVXXJMD-IBGZPJMESA-N 442.520 1.356 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(Cl)ccc(Br)c3C2)C1=O 1536867795 QRMLRQZZGPAKLH-UHFFFAOYSA-N 440.681 1.964 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccncc2)CC1 1538965021 ZMTCHEMQYOOJDU-IBGZPJMESA-N 438.580 1.482 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539211350 HZGAQSSZWMPVQT-RDJZCZTQSA-N 448.545 1.624 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1539333908 PEZCVDYTXWSTSS-FQEVSTJZSA-N 437.548 1.098 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)C(C)(C)C 1539359428 GSTRINSIIYLKQF-SSEXGKCCSA-N 426.550 1.928 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC1CCCCC1 1539396234 LXYQWXMCTOBAAL-UHFFFAOYSA-N 439.520 1.460 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCCCCC2)CC1 1539477717 WOPIDOGUEBXNEK-UHFFFAOYSA-N 436.564 1.577 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCNS(C)(=O)=O 1539632592 SKUZATKYBZCEJA-BBWFWOEESA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1540877296 PULILHCPNOVKMW-SGXKBVARSA-N 435.569 1.946 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1ncc(Cl)n1C 1540903822 HIHVDIVOTGFKNN-UHFFFAOYSA-N 449.968 1.888 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@H]1CF 1541675491 NUMFSHVDYVVIKZ-OFQRWUPVSA-N 427.488 1.324 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCc2cccnc21 1541927880 RHWIXMOOLBGXRT-NBQZKYEYSA-N 447.540 1.845 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C 1547711780 IGMZVCXSNUVSMV-YJBOKZPZSA-N 436.520 1.335 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](Cn4ccnn4)C3)CC2)cc1 1557447973 GPPHBMTVGCPRLO-KRWDZBQOSA-N 428.518 1.099 30 10 IDEE Cn1c(N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(C#N)c(=O)n(C)c1=O 1559293664 IDRMWXJMYXUBPV-YUMQZZPRSA-N 432.271 1.563 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1587638336 CZYVOJQFTMVBJV-MJGOQNOKSA-N 445.589 1.627 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1587974913 FQPLOIONQQSGIT-GOSISDBHSA-N 449.559 1.591 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1588185559 JCNFALWLSWACBC-NRFANRHFSA-N 434.562 1.359 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1593682787 CDIUMRSHLHTPCE-JOCHJYFZSA-N 434.585 1.497 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1595496882 JRHCBBBPUGHFFQ-UHFFFAOYSA-N 442.564 1.803 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595507075 WAAOPDLYUXGCDB-WBMJQRKESA-N 448.886 1.975 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)C[C@H]1O 1618884355 YTYQPGGIJOAMJZ-RTBURBONSA-N 438.532 1.661 30 10 IDEE COc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1619302034 GUHFAOJBKAHSBF-CRAIPNDOSA-N 428.493 1.621 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2OC(F)F)CCO1 1620355142 GXAFPSZQSZESGF-LSDHHAIUSA-N 432.431 1.802 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)c(OC)c1OC 1621367203 VDZDIOXAJXQNLL-UHFFFAOYSA-N 440.456 1.591 30 10 IDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1621708769 SZXDFFUMRCQHQL-UHFFFAOYSA-N 433.284 1.240 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c1 1622660658 WXDRDLGPDPFDGL-UHFFFAOYSA-N 437.543 1.161 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)C1 1632871890 NWAMGPFTTNMJJJ-IAGOWNOFSA-N 433.306 1.263 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(C(=O)OC)ccc(OC)c3C2)cc1 1633711687 KABXWPCXXWJSMD-UHFFFAOYSA-N 442.493 1.592 30 10 IDEE Cc1nc(=NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n(-c2ccc(F)cc2C)[nH]1 1636220248 LFQPEMUNYGTZCC-UHFFFAOYSA-N 442.476 1.808 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCOCC1 1637128172 MCRWFHHFMFWPQL-GOSISDBHSA-N 443.928 1.923 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C1CSC1 1640233533 CKYWWJPNHNHFEE-UHFFFAOYSA-N 438.571 1.682 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCN1CC(F)F 1640549256 ASFDXJAESBRPNN-ZBFHGGJFSA-N 442.532 1.986 30 10 IDEE O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854814 JKILDIOMPCECST-UHFFFAOYSA-N 435.436 1.853 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)OC)c1 1644421737 TWMYKYXCCGUECH-LJQANCHMSA-N 440.477 1.858 30 10 IDEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1645729919 KFUIYIMCFZTNSM-LBPRGKRZSA-N 434.449 1.541 30 10 IDEE C#CCN(CC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1)C(=O)OC(C)(C)C 1653799512 XZPUFRROWVXSJX-GUYCJALGSA-N 438.468 1.825 30 10 IDEE C[C@H](NC(=O)[C@@H](C)N1CCC[C@](C#N)(c2ccccn2)C1)c1ccc(S(N)(=O)=O)cc1 1654466025 LEIAEMULAKPASV-GSHUGGBRSA-N 441.557 1.852 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3ccc(C#N)cc3=O)cc2)C[C@H](C)O1 1656734922 BNHVJSJTTSPVAJ-GJZGRUSLSA-N 430.486 1.157 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1663996891 NKURZUYICRLOEZ-UHFFFAOYSA-N 434.539 1.962 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3nnc(N4CCCC4)cc3C2)c1 1670476878 TUOGOPZYHSLMNF-UHFFFAOYSA-N 427.530 1.740 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CC1 1671140349 QLCMNICUFUUMQF-UHFFFAOYSA-N 438.474 1.198 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689992798 OWWSCWCUMKJVJU-OQRWROFFSA-N 426.608 1.405 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCOC2)CC1 1690114615 ALFZPMBOBKGFJZ-GOSISDBHSA-N 443.573 1.530 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1690210929 NRXYTWKXFVEWDC-GHTZIAJQSA-N 430.578 1.957 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690297695 CJMYYDQELNTWSD-QHCPKHFHSA-N 448.612 1.885 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690451623 LIZGEZPBLKRFIK-DOTOQJQBSA-N 437.570 1.556 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1690543510 HAGFVMFYAFXLHP-GJZGRUSLSA-N 428.459 1.647 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690667991 OZOJVQONZHQMRT-MRXNPFEDSA-N 444.503 1.019 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1 1690670554 DUAMWKBETDOPBS-KRWDZBQOSA-N 448.568 1.922 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690673739 CEPBSEVBWJDKHS-KRWDZBQOSA-N 443.596 1.102 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 1690797603 JELKRTLAKJMTJN-LJQANCHMSA-N 439.476 1.841 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)cs1 1693359880 DBFYSAPQPKBUOL-CRAIPNDOSA-N 431.566 1.331 30 10 IDEE Cc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCOCCN(C)C 1693508994 FYRNSYNEJUTCEX-UHFFFAOYSA-N 434.548 1.911 30 10 IDEE CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1693917612 BQJHHUGUYRZGCU-AVRDEDQJSA-N 425.537 1.926 30 10 IDEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)OC 1695114423 BUHZMFSOONWAIE-MOPGFXCFSA-N 442.520 1.495 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@](C)(O)CC)CCN2C1=O 1695776798 HNIIUXFKWRRSEE-HTAPYJJXSA-N 437.504 1.450 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1698005372 HVWORJDVWYLITF-KRWDZBQOSA-N 425.493 1.321 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CN(CC(C)C)CCO1 1698231428 XXWAFJWKCKAHTL-HAGHYFMRSA-N 434.585 1.955 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCc2nccc(C(F)(F)F)n2)c1 1698485319 BQIJBIWAVPZJAU-UHFFFAOYSA-N 442.405 1.804 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CC1 1705495934 XTHIDRADRAWZAJ-IRXDYDNUSA-N 439.582 1.276 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705514121 LDQFJQDOCQJTSI-UHFFFAOYSA-N 433.520 1.303 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1705560166 DYJRXBMTWVGATA-LAUBAEHRSA-N 427.574 1.660 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570105 MPVHQTPOALURPS-INIZCTEOSA-N 442.607 1.071 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705584421 JXYYUYIVEOIUCC-UHFFFAOYSA-N 433.537 1.930 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(O)cc2)CC1 1705649793 FKSYQFWNIAPBHR-UHFFFAOYSA-N 430.512 1.984 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCOCC2)CC1 1705762768 HYLLVQSVXQFMKQ-HNNXBMFYSA-N 429.612 1.957 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705769147 KJAOXFZSBOFUFB-GOSISDBHSA-N 436.626 1.363 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCC2CC2)CC1 1705894967 PHAGBOJCPJWMSJ-UHFFFAOYSA-N 439.520 1.623 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706129783 UVWQKTVQFNLVIP-IIUXCQHESA-N 429.525 1.095 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1706218534 IAAGQRXMLIVQNA-RTBURBONSA-N 435.532 1.836 30 10 IDEE Cc1csc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)n1 1707730457 BXVITHBWUZOSSF-TZMCWYRMSA-N 439.567 1.020 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1710456790 GQCOXYYEKKZGEG-LEWJYISDSA-N 430.484 1.602 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC2(F)F)CCO1 1712884073 FXWAKDGPAYPGBI-RRFJBIMHSA-N 429.493 1.734 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 1722333771 ZFZQUFMXTMINSN-IKGGRYGDSA-N 425.555 1.028 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722337729 HGQXBNRODSKFKC-HNNXBMFYSA-N 441.517 1.952 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722341931 GUPLPSYWYHKLLA-LSDHHAIUSA-N 442.586 1.507 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1722436389 FKWKKISQSNQTBB-UFYCRDLUSA-N 427.597 1.352 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722457593 HANXALHBCVVVKT-MJGOQNOKSA-N 427.578 1.649 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOCC 1722473883 IMLISBVAAHUDIJ-FXAWDEMLSA-N 439.582 1.420 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722526290 UCGXUMPOPXCYJJ-XHSDSOJGSA-N 430.513 1.110 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1722675291 ZAIRKVJESRMRMA-INIZCTEOSA-N 425.555 1.120 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 1722700875 XSRMHUOOHOSYFQ-UHFFFAOYSA-N 448.531 1.296 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H](C(=O)OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1728805661 YINCNQNBPFEGBR-YCRPNKLZSA-N 429.477 1.833 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740574943 MOUHQNJCRQWKII-GOSISDBHSA-N 426.546 1.943 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740575452 SOMBNXRVPNVWNM-KRWDZBQOSA-N 448.549 1.226 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1740615849 MIXAIPLHVMXQIL-HZPDHXFCSA-N 439.607 1.329 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(=O)Nc1ccc(F)cc1 1740687567 BHIHMRGVKVVHNS-UHFFFAOYSA-N 428.468 1.264 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCC(=O)N(C)C)CC1 1740695995 IVTYNFVBEPLFDK-HXUWFJFHSA-N 438.532 1.414 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)nc2OC)CC1 1740696240 OVZMRSSKEBBXSY-SFHVURJKSA-N 426.521 1.388 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](OC)C1 1740951459 GFFNKHVJUNQIIH-INIZCTEOSA-N 432.912 1.389 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2csc(C)n2)CC1 1740957377 LSAAKZKVNFCGNJ-UHFFFAOYSA-N 440.577 1.673 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740996127 GVUNDDCGCGJPMP-HOTGVXAUSA-N 443.639 1.939 30 10 IDEE CCc1nnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744583100 JOHXTLNWSHDRCJ-OGLOHFSISA-N 430.509 1.141 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1748791561 VTAOOSCADWVCNL-RTBURBONSA-N 437.610 1.387 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)c1 1748933256 HEGGKCOQBITEEQ-HXUWFJFHSA-N 436.472 1.808 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1 1748948810 XBAGYYODMLIFDN-UHFFFAOYSA-N 441.536 1.122 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C 1748963048 XHSYWZPSCQQRMM-HOTGVXAUSA-N 426.608 1.798 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](F)COC)CC1 1748986945 NDLUCAMHEYQXJR-OAHLLOKOSA-N 425.468 1.334 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CC(OCC)C2)CC1 1748993729 JRFSBUNEFHSOMS-UHFFFAOYSA-N 430.578 1.319 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCCCO2)CC1 1749009909 XGQZPIYABFXGBB-LJQANCHMSA-N 425.537 1.604 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOCC)C1 1749097856 ITEIULJCZQJAFD-UONOGXRCSA-N 428.331 1.770 30 10 IDEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749368175 CSWNARPNKHMENK-UHFFFAOYSA-N 446.596 1.586 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)C 1749656074 ZKAPCWUUNYYCFP-UHFFFAOYSA-N 436.520 1.598 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCCC2)C1 1749696735 DEUJUNIOIFTAPF-HZPDHXFCSA-N 427.571 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1749730827 RVSFMIKWOQEULR-UHFFFAOYSA-N 444.561 1.988 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750553598 GGOXTHWDYXPRIY-DYTRJAOYSA-N 443.552 1.669 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN2CCOCC2(C)C)CC1 1760258218 RDIIBXOAODHEDY-UHFFFAOYSA-N 426.540 1.950 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760264499 QHRPKTRUJIEVLR-JPYJTQIMSA-N 441.532 1.161 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CC=CCC2)CC1 1760264698 WBERXCFAAQTBTL-UHFFFAOYSA-N 436.560 1.883 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccn2)CC1 1760284301 JPRJIYMCYLASPJ-UHFFFAOYSA-N 425.562 1.489 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC(C)(OC)C1 1760517120 DAFKSVXESUFBNZ-UHFFFAOYSA-N 431.493 1.498 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760523940 LIOVQBRHMJRUCC-KRWDZBQOSA-N 440.552 1.636 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760529172 YNHPARRRVCLKJD-BULFRSBZSA-N 449.552 1.005 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)C1 1761546495 YCQRXTMHCKRQES-VLIAUNLRSA-N 427.534 1.678 30 10 IDEE CCC[C@@](C)(O)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1763754836 GWDOFEQHTZHANJ-HRAATJIYSA-N 428.541 1.742 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1769171810 NPALNNFLIDHYDQ-DEOSSOPVSA-N 449.559 1.953 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1770316117 GUIYTOYCHBERIJ-MRXNPFEDSA-N 449.558 1.017 30 10 IDEE CN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C1CN(c2nccnc2C#N)C1 1849513299 PHHHAZZAEJFHIF-IBGZPJMESA-N 440.529 1.239 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)NCCN3CCCS3(=O)=O)cc2)c1C(F)(F)F 1852146972 ZZJKBUBLYSNDAM-UHFFFAOYSA-N 427.408 1.528 30 10 IDEE C=CCC[C@H](C)C(=O)N1CCC[C@@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1855028548 AGAPNEBTKVYCBO-QFBILLFUSA-N 425.595 1.995 30 10 IDEE CN(CCC#N)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 1856543145 SIVUWIOURZVPGO-GOSISDBHSA-N 436.509 1.199 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 1858422588 WTKZOCMEBNKGEG-OAQYLSRUSA-N 438.553 1.913 30 10 IDEE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)nn1C 1867102466 JZFOGEFYHAYESD-GOSISDBHSA-N 437.431 1.836 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCCn1ccnc1 1870356503 OVPLKSGQWBBCPW-UHFFFAOYSA-N 443.548 1.187 30 10 IDEE O=C1CCc2cc(S(=O)(=O)NCC#CCN3CCc4ccccc4C3)cc3c2N1CC3 1890289446 AIBOWZOHVYXOHE-UHFFFAOYSA-N 435.549 1.862 30 10 IDEE CCCN1CCN(c2ccc(N3CCN(C(=O)c4cc(C#N)ccc4F)CC3)nn2)CC1 1890297008 KYLILWRDVBZWOP-UHFFFAOYSA-N 437.523 1.982 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC(=O)NCCN(C(=O)OC(C)(C)C)CC1 2054338642 FNXWOIHIIVTWDE-UHFFFAOYSA-N 440.360 1.284 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060623381 LQBQLGLMMQHERD-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073753784 FUDDYTWOGDUEPA-LHSJRXKWSA-N 437.346 1.712 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)[C@H]2CO 2216871314 QAJOCIITBSJQFI-CVYDXHPNSA-N 437.537 1.495 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2247907562 FBRVRENMDBZMAZ-UHFFFAOYSA-N 429.351 1.419 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2255633106 WMBTVTWDGIOCIU-KRWDZBQOSA-N 426.326 1.340 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255654318 VNDZVEFKKRBDGJ-LSDHHAIUSA-N 436.314 1.679 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)n1 2255821020 CNAZQBTUABOJGN-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE Cc1nn(C)c(C(=O)NCCCONC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824762 OBPXWXQLMMGTMZ-UHFFFAOYSA-N 438.334 1.604 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2259345181 DIDYTTKDFPWLBG-ZFWWWQNUSA-N 434.346 1.752 30 10 IDEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267548377 RFQBICRKSXJYPB-CQSZACIVSA-N 449.361 1.586 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267597403 QHZQWOJELKEPEK-UONOGXRCSA-N 449.361 1.490 30 10 IDEE CN([C@@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270537948 RZJRUGJXENLGHJ-OLZOCXBDSA-N 437.396 1.472 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CNCCSC3)cc2Cl)OC1(C)C 2282847239 WKOIUYFPQVZOGN-JTQLQIEISA-N 438.833 1.684 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 2296613054 OCFUBTKEFHFCFR-HXUWFJFHSA-N 439.516 1.576 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319678001 UATFVINTZGATAL-SZNDQCEHSA-N 437.346 1.807 30 10 IDEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 103122409 AOBPUXBBHWEYFX-HMNTXPNISA-N 431.466 1.965 30 10 IDEE C=C(C)C(=O)O[C@H]1[C@H](OC(=O)C(=C)C)[C@@H]2C(=C)C(=O)O[C@@H]2C[C@H](C)[C@@H]2O[C@@H]2C(=O)[C@@]1(C)O 256069131 BWAZUXQZSXFTJK-BFRJSUPXSA-N 448.468 1.187 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 460587690 VSQVZFAKBHIBIF-IRXDYDNUSA-N 431.566 1.652 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 469265161 KXYCFZZQBYLAMO-ZDUSSCGKSA-N 429.506 1.444 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC1 469828684 DLMIYMNITGFROL-KHYOSLBOSA-N 438.488 1.041 30 10 IDEE CN(CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 479308643 OVMKPWCCTVOBCP-UHFFFAOYSA-N 426.542 1.982 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 486624531 BJVXVKVXJMFQKW-HNNXBMFYSA-N 435.955 1.273 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 487968569 NLWNBCGQCXOANH-LJQANCHMSA-N 444.488 1.895 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 508915724 YQLWJMAUDJZDEH-MAUKXSAKSA-N 449.533 1.073 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)o1 514835824 PUSFMSOPAOBYHM-UHFFFAOYSA-N 429.542 1.262 30 10 IDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)c1 520064427 HMQKCRGBVNKPMC-LJQANCHMSA-N 439.581 1.981 30 10 IDEE C[C@H](C#N)CN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 532821902 GOVNLINUKMDHRT-QGZVFWFLSA-N 432.546 1.450 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1cccc(C)c1C 537394900 QSTHEOZCJYYSRJ-UHFFFAOYSA-N 434.521 1.477 30 10 IDEE Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4nc5c(cc4C#N)CCC5)CC3)n2)n1 585587795 DMZHMTDWKRUFAQ-UHFFFAOYSA-N 444.543 1.623 30 10 IDEE Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 604532505 HJGVHQAJMXEYRX-UHFFFAOYSA-N 439.497 1.926 30 10 IDEE CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 611476097 AWKDBBDJLFNKCB-UHFFFAOYSA-N 437.475 1.616 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCOC1 676727097 OPBVSQZLEMBXSM-ZDUSSCGKSA-N 425.535 1.752 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(C)c1C 727415548 VCDNFPFBHXAQSF-UHFFFAOYSA-N 437.521 1.765 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729672145 ZEPVBUWCXWSTNW-INIZCTEOSA-N 436.537 1.855 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730143792 VNHBNUVFFQCXMY-GOSISDBHSA-N 433.578 1.439 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 732562049 ZNGRCNITBHYDMO-INIZCTEOSA-N 428.558 1.814 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732648820 ITHACWQWDGJLIW-LJQANCHMSA-N 432.546 1.489 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Br 732650865 KECANYPKIPNCRI-CQSZACIVSA-N 441.351 1.512 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1Cc1ccccc1 736582984 LCMBOEJHTARRPM-UHFFFAOYSA-N 436.562 1.837 30 10 IDEE C#CCN(C(=O)CCn1c(S)nnc1-c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 747368345 RUNCKZYYDRWMQD-INIZCTEOSA-N 448.570 1.672 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)c2cccc(C#N)c2)C1 748238443 UCXTYLSYNZORTQ-KRWDZBQOSA-N 431.470 1.990 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCCCN3C(=O)CS/C3=C\C(=O)OC)cc2C1=O 748857733 OUKVUKOBTCVIIT-BOPFTXTBSA-N 444.465 1.605 30 10 IDEE CCOC(=O)c1c(NC(=O)COC(=O)c2cc(C#N)cn2C)sc(C(=O)N(C)C)c1C 751731810 VRWWONFPOLGYST-UHFFFAOYSA-N 446.485 1.941 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(-c4ccccn4)s3)nc2)CC1 753161048 FWAZRLVXOYCZOR-UHFFFAOYSA-N 443.558 1.982 30 10 IDEE CC[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H](c1ccc(C)cc1)n1cncn1 756684123 FWVJWFONKPFWTG-CNVXJRLLSA-N 437.504 1.780 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)O)[C@@H](C)O 757263856 HOEWBQORGOKOMI-OREJSRFESA-N 436.464 1.867 30 10 IDEE CCC1(CC)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC[S@@]1=O 769633039 QWAXCWNZQHVSBJ-MHZLTWQESA-N 425.576 1.655 30 10 IDEE Cc1nn(C)c(C)c1[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 771545631 XBBKISKHDWJGPG-MRXNPFEDSA-N 443.451 1.885 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCOC 783943868 ZCYBTUUFEOJYJH-AWEZNQCLSA-N 442.566 1.922 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783945506 IZZWCYQLLDJDEB-UHFFFAOYSA-N 425.495 1.137 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCn2ccnn2)cc1 784127819 LBMLBMLJKDQYTA-SFHVURJKSA-N 443.577 1.676 30 10 IDEE COC(=O)c1nn(CN2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)c1Br 788043201 BOCSQYBADVBLOP-UHFFFAOYSA-N 436.314 1.434 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)n1 789028927 AWNFLUVPGZDWAU-HXUWFJFHSA-N 439.564 1.280 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 807934899 OHPSPJHHYUEXFT-XJKSGUPXSA-N 434.543 1.451 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 813477939 RMIPURQZOZIMHL-HUUCEWRRSA-N 446.508 1.232 30 10 IDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H](C)C(=O)NC 813561968 BDLYEVAMOYEUSR-YOEHRIQHSA-N 433.578 1.383 30 10 IDEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 816804736 FQOVJCIQTWUUHQ-OAHLLOKOSA-N 441.575 1.321 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccc(F)cc3)c2=O)cn1 839203697 UDUGICWACHZOTL-UHFFFAOYSA-N 437.500 1.333 30 10 IDEE N#CCNC(=O)CNC(=O)Cc1cc(Br)cc(I)c1 1128705094 IMYDFWDJBFJLNG-UHFFFAOYSA-N 436.047 1.352 30 10 IDEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1129973929 BLVHXZKENNBZRQ-LBPRGKRZSA-N 448.405 1.393 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)C1 1143720283 RKFJWYUIHNYIRR-INIZCTEOSA-N 431.493 1.494 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCOc1ccc(C(F)(F)F)cn1)c1cc[nH]n1 1150680107 WVNQFWJGZGPLGE-UHFFFAOYSA-N 429.355 1.303 30 10 IDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@H](O)C(F)(F)C(F)(F)F 1175873990 SQWMSHJXRMXSLT-GZMMTYOYSA-N 426.260 1.293 30 10 IDEE C=CC[C@@H]1CCN1C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1180063686 KQKPNFOUBRZTHN-BHDPTXKXSA-N 426.560 1.557 30 10 IDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCc1ccc(C#N)cn1 1219366377 AGOPLYBKSQUERR-UHFFFAOYSA-N 429.502 1.858 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CC1 1248145455 IMWRSTSUMLXKKS-JKSUJKDBSA-N 430.452 1.356 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 1259413502 MAUCAICRUBFMPN-INIZCTEOSA-N 441.481 1.870 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC(C)(C)C 1286366224 YJWUUIVLTKRDDQ-UHFFFAOYSA-N 446.577 1.570 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1286391823 DXXXHFQQJMULEK-INIZCTEOSA-N 431.566 1.028 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1286409589 RRMNJSPTDYTRAL-DEOSSOPVSA-N 442.479 1.766 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286414702 ABOAAXIRQITEGV-KDURUIRLSA-N 428.581 1.767 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1286419615 BJZOTAXBRBMGFK-DNVCBOLYSA-N 435.575 1.320 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2ccn(C)n2)CC1 1286479012 OAHYIYUNBLDYRR-UHFFFAOYSA-N 425.487 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCOC2)CC1 1286489018 BWVVCBKWQNECOX-JOCHJYFZSA-N 443.935 1.716 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1286514110 ABHUJJXKYXXSQW-IRXDYDNUSA-N 436.582 1.220 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286602369 XXDVIQFHALZYKY-HXUWFJFHSA-N 445.612 1.323 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286603853 APAXEUKIOMSBJD-INIZCTEOSA-N 447.561 1.608 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286774468 PTMRDWDUUAOTHC-KRWDZBQOSA-N 430.534 1.316 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286822491 DVDVSKLEHQCYLC-XUWVNRHRSA-N 429.612 1.669 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)OCC 1287778761 UCHLDXPVJJJVIQ-HNNXBMFYSA-N 426.901 1.450 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1300391268 LHWSQKRVPNIYQT-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300431561 ICINAYOXYVZGQJ-NPPFBWRTSA-N 445.543 1.346 30 10 IDEE C#CCN(c1nnc(C)n1CCc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1300481976 CRIQZSCAIIZZOJ-INIZCTEOSA-N 448.545 1.482 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1300578834 HPSRORZCSOAAJU-HXUWFJFHSA-N 448.527 1.693 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C1CC1 1300657912 UODRRSUFPIRURQ-OAQYLSRUSA-N 432.546 1.596 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1300685071 FRKHDCVQGYBOJG-NZQKXSOJSA-N 430.597 1.414 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)NCCC)CC1 1300691071 NWULBYUWLALSTD-UHFFFAOYSA-N 440.548 1.634 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(COC)CCOCC2)CC1 1300711585 DCXUFAOANTXNIN-UHFFFAOYSA-N 431.581 1.985 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1300815088 ZMLAWOWTCRUOGK-DMEQXSTQSA-N 439.520 1.671 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300982436 IPCKCSLAOSVFKV-JOCHJYFZSA-N 441.536 1.691 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1301295838 ATHMYNBUJLXLAJ-MRXNPFEDSA-N 433.534 1.328 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301507009 SXTCGEGWEVSBBM-JOCHJYFZSA-N 426.521 1.340 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CC2)C(=O)C1 1301515174 QGCISRKRAZUXTE-UHFFFAOYSA-N 438.532 1.533 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1301808595 GEINHZXRPPKIPH-WQIZZMQYSA-N 445.611 1.094 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1302025887 TZTDUJMLWGREAH-HZPDHXFCSA-N 428.493 1.716 30 10 IDEE C=CC[C@H](C(=O)OC)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1307841275 BCSPICQXMMQNFU-RCCFBDPRSA-N 436.553 1.972 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1nccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1311332996 QBTJKZUXXRNLTN-AWEZNQCLSA-N 439.538 1.923 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCc4c(CC(N)=O)cccc4C3)C2=O)cc1 1312485277 JGPJNWFLVLTDNC-NRFANRHFSA-N 431.496 1.849 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1312587325 VFRXCHLSHGQLJI-UHFFFAOYSA-N 431.461 1.230 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1313477185 LBFUTBBXJQABAC-QZTJIDSGSA-N 440.504 1.093 30 10 IDEE CN(CCc1cnccn1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1314835322 NNJKQNNAGNNSIQ-VXPUYCOJSA-N 438.536 1.862 30 10 IDEE CSc1ccc(N2C[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1 1354428314 LUKVWKZIEIEAMA-ZDUSSCGKSA-N 426.502 1.831 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1358890858 WJEBOQUUAAVULI-GUYCJALGSA-N 439.488 1.395 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(=O)(=O)CC 1358900837 STDAWFOEUXFENS-GVDBMIGSSA-N 425.599 1.984 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC(=O)NC(C)C 1358922767 QHLNWSGTLBODRL-UHFFFAOYSA-N 446.577 1.570 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1358966471 POFCDUATXWPVEW-QGZVFWFLSA-N 448.618 1.662 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nncn2C)CC1 1359031828 QYVQRGFZJLLMIE-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1359222130 ZAAXLYWHXCOVHT-UHFFFAOYSA-N 427.509 1.623 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359337576 WBVMEEWAJBMPCP-SOUVJXGZSA-N 442.611 1.055 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1S(C)(=O)=O 1359702934 MYUDTTBZOKQCHN-MRXNPFEDSA-N 445.549 1.360 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1451179395 LJRQHDQYYROODV-ZDUSSCGKSA-N 445.335 1.821 30 10 IDEE Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1S(=O)(=O)NCC#N 1451406002 LOTKJXLGWYLAFE-DLBZAZTESA-N 448.545 1.878 30 10 IDEE N#Cc1cn(C2CN(C(=O)CCN3CCN(c4cccc(Cl)c4)CC3)C2)c(=O)nc1O 1457195640 AOHSPHFOWXJQGD-UHFFFAOYSA-N 442.907 1.070 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 1465666514 ZOPNCAFJSMGGCH-CABCVRRESA-N 437.990 1.600 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3n[nH]cc3C(=O)OCC)C2)cc1 1470593245 MWOMBWIAJJDPKH-OAHLLOKOSA-N 432.502 1.680 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2)nc1 1478308742 QQCKVFRCIOMBLG-QKLQHJQFSA-N 433.534 1.275 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C[C@H]1O 1503884019 VZLGMHJCBITINB-CDMIOBSGSA-N 425.489 1.338 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1505076266 MKWZFUOBNCMTAC-LXMAKODISA-N 444.536 1.907 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1505133873 GHMGXBXIDQHBNK-NRFANRHFSA-N 445.545 1.780 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@@](=O)CC 1507544294 ZWOAAALPASBAKQ-GEFUHLBYSA-N 442.633 1.869 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1507572749 WJLZSMCPWKOVMI-UHFFFAOYSA-N 428.516 1.866 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)C2CCCC2)CC1 1507718435 DNCVGCUCTQJPQA-XMMPIXPASA-N 444.624 1.948 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507762256 RRSGIUYMGVKMFE-MOPGFXCFSA-N 435.937 1.535 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1507829778 LCYPRYJGVCCHDA-QGZVFWFLSA-N 426.525 1.185 30 10 IDEE C=C(Cl)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@@]1(OCC)CCOC1 1507874289 ISHWHPSOLPDPQP-HXUWFJFHSA-N 441.960 1.662 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1508039283 MUQGRFHZHVHZKM-KRWDZBQOSA-N 439.538 1.200 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1508516560 ODNGLQIRFVHOAQ-UHFFFAOYSA-N 425.493 1.016 30 10 IDEE CC(C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508997775 XWXACQLGCAWHPO-ZPHPHTNESA-N 443.552 1.623 30 10 IDEE COc1cccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1518416940 MHCPVTBWSORIDC-QZTJIDSGSA-N 426.477 1.436 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(CC#N)c2ccc(F)cc2C)c1 1531240849 JONCKNRNAMIRAH-UHFFFAOYSA-N 434.493 1.883 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1535552945 MVRDEQLPXMFNQM-SFHVURJKSA-N 442.541 1.051 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1539212696 RNPXBLCFOAYYML-FQEVSTJZSA-N 441.557 1.996 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2([S@@](C)=O)CCC2)CC1 1539475272 AEUBMHRENJBOLD-SSEXGKCCSA-N 428.562 1.540 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539735159 GPQUZPTWOLTELJ-UHFFFAOYSA-N 449.515 1.930 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540900636 BZGSGJFDFPVXGS-INIZCTEOSA-N 429.550 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCc3oncc3C2)nnc1[C@@]1(OCC)CCOC1 1540908251 DNYWXLKHEFUHJD-LJQANCHMSA-N 437.522 1.082 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)CC1 1547725576 HYJRZTJEMYFCBF-WMZHIEFXSA-N 444.628 1.820 30 10 IDEE COCCNC(=O)[C@H]1CN(C(=O)CCOC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368131 WXABWJOQVDVJKL-QGZVFWFLSA-N 442.438 1.393 30 10 IDEE COc1cc(C)c([S@](C)=O)cc1OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1557110808 RPUJSLSAJHOOPJ-OIJAAMDRSA-N 436.511 1.885 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3nn[nH]n3)cc2)ccc1F 1565778675 FNTYTDBTTSNNJL-UHFFFAOYSA-N 432.437 1.634 30 10 IDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nn1 1584319238 QJQLRZXIXVFTNZ-UHFFFAOYSA-N 425.461 1.459 30 10 IDEE N#C[C@@]12CN(C(=O)c3nn(-c4ccccc4)cc3Br)C[C@H]1CS(=O)(=O)C2 1585138567 JQJPZHRYYAOAQE-SJCJKPOMSA-N 435.303 1.645 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)C1=O 1585679548 TVUPFPSRUZCHMY-CQSZACIVSA-N 436.262 1.326 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1589529587 OEQGNLWSWITJOP-DMUMMCEESA-N 430.553 1.563 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1594003468 AUHMCRFSVRWKKC-ZFWWWQNUSA-N 433.962 1.273 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595490149 NTIISALFXPAELZ-NSHDSACASA-N 436.314 1.005 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1595506713 KGZQWUSECGWUEZ-HUUCEWRRSA-N 439.549 1.553 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](OCC)C1 1595537752 XJWQAOAVZCMQMR-OAHLLOKOSA-N 437.504 1.901 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595562150 PCFATPQKWBGPEG-FQEVSTJZSA-N 449.563 1.691 30 10 IDEE CC(C)OCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1611003011 DOESHKSXZLZKGQ-LJQANCHMSA-N 429.569 1.896 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncn(C)n2)cc1Br 1612044720 ATPWRYJGIUNHFB-CQSZACIVSA-N 443.309 1.922 30 10 IDEE CCN(CCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1)S(C)(=O)=O 1615624837 DCYIBLLLAJDFNN-LJQANCHMSA-N 446.577 1.962 30 10 IDEE CCn1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)cn1 1615724216 DSHOCBQGDMQBMJ-HNNXBMFYSA-N 426.506 1.263 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CCO1 1618692875 GVPQBOQNOUBFTO-DLBZAZTESA-N 444.586 1.617 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1620097956 NBAIITDYKVXJSR-YYVVQBKYSA-N 444.536 1.765 30 10 IDEE C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1620301230 FGZZYEGWROGZBG-JMJHOWBJSA-N 442.545 1.664 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1625429581 PJNPAVKLBOIPNE-KRWDZBQOSA-N 436.530 1.849 30 10 IDEE CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc21 1626081944 PXXPMYXVCPPTIF-UHFFFAOYSA-N 446.460 1.845 30 10 IDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1C 1635665215 ATBILTASGIEXGJ-QGZVFWFLSA-N 428.518 1.055 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1663556423 WEWAABKYYOGKNQ-UHFFFAOYSA-N 428.559 1.520 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CC1 1674233965 NDAYVGYOKFFMIZ-UHFFFAOYSA-N 436.578 1.948 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689983392 AUCTVGGVMAJUKF-WOJBJXKFSA-N 444.557 1.550 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689983772 HCZJXSJXXDIQGQ-PXNSSMCTSA-N 432.571 1.440 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1690043980 VHRNSBCFQVODDQ-NHCUHLMSSA-N 440.592 1.829 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1690109231 LBCXVHJCUFZWDL-LJQANCHMSA-N 427.553 1.582 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)CN2CCOCC2)CC1 1690131427 ZKCKUNGTABNSJI-QFIPXVFZSA-N 436.604 1.787 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC=C)CC1 1690145961 BTSDVWUTGOBDCX-SFHVURJKSA-N 433.578 1.502 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690207810 MHVNWHWYUHEOBV-RTWAWAEBSA-N 432.521 1.550 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)COCCO1 1690516526 LQWRVVPEKWRUTF-FQEVSTJZSA-N 434.566 1.974 30 10 IDEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCOC1 1690585421 KNWVQJHPCXJXQU-OAQYLSRUSA-N 446.577 1.876 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1698058394 GHJOJWLTHZCTLK-UHFFFAOYSA-N 448.329 1.589 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCC(O)CC1 1705544558 VJCZKEHBNNHHAQ-UHFFFAOYSA-N 435.370 1.962 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCS(=O)(=O)CC1 1705544584 WEGQOKDNQYLYOD-UHFFFAOYSA-N 426.340 1.930 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1705894954 OXQDLQKYNZHGLB-UHFFFAOYSA-N 449.519 1.345 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1705919546 GOWDIOKOIBXUPM-ROUUACIJSA-N 440.504 1.723 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1706074654 BVWWURDUXAGNIX-QZWWFDLISA-N 443.531 1.171 30 10 IDEE CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1711348421 HYSMZPYUDADDAI-FBMGVBCBSA-N 429.525 1.064 30 10 IDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1711455995 GBOBIIRLWBKMSY-UHFFFAOYSA-N 435.488 1.900 30 10 IDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 1712713670 GIHQAYJLZIVTKY-ADKRDUOOSA-N 447.586 1.741 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCOCC(F)F)cc1 1712880725 GGXIANYFQSMAQJ-DOTOQJQBSA-N 446.458 1.725 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1722369521 AKLLMEGQLLGAQX-MHORFTMASA-N 436.578 1.675 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722370887 RJYFCVAOCFFLJA-SJLPKXTDSA-N 433.534 1.604 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1722684983 GYSYLMFTTPRCRH-IBGZPJMESA-N 437.548 1.738 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCn2cncn2)c1 1740564287 IEZAQRYLGQYCKB-UHFFFAOYSA-N 441.499 1.612 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1740579310 MNVORSSRBRKHTN-UHFFFAOYSA-N 427.553 1.654 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1740624045 DCFZVTYXSWBACQ-INIZCTEOSA-N 440.520 1.812 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cc(C)cc(C)c1 1740631142 PPDYPQDUDGOFQY-GOSISDBHSA-N 429.546 1.657 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC[C@H]2C)CC1 1740702145 WUYMHGULBLYEKW-QGZVFWFLSA-N 440.548 1.533 30 10 IDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1740709509 OAWPLFBFFGVZLJ-MRXNPFEDSA-N 425.566 1.922 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCO[C@H]2CCOC2)CC1 1740709705 LEIBUSXBRYZJKN-RBUKOAKNSA-N 431.537 1.291 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCS(C)(=O)=O 1740734122 RKGJKNVHCFSCQS-LJQANCHMSA-N 435.575 1.696 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)NC)CC1 1740737917 BTPHTZZYYSKEKC-ZDUSSCGKSA-N 430.347 1.873 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740953428 FYWXFVGZUCPCRT-INIZCTEOSA-N 448.531 1.729 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1740959421 VBWONFODYGYFHL-CVEARBPZSA-N 444.536 1.949 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(S(C)(=O)=O)CC1 1740988213 XFSBTODSTWUPMF-UHFFFAOYSA-N 442.563 1.461 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](C)C1 1740991993 KIYXYLANQVYIMP-JKSUJKDBSA-N 430.596 1.407 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741089671 SFIORSHUBLTGFZ-RUNIHZNKSA-N 443.552 1.455 30 10 IDEE C[C@@H]1CSCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1743372549 QQNYJWYKSAIHBX-FZFLATATSA-N 439.545 1.732 30 10 IDEE CCN(CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1746155788 BBPGLBGBKCCVSI-VQIMIIECSA-N 425.603 1.750 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCOCC2)c1 1748684951 RLSKVQLMLYPWHN-KRWDZBQOSA-N 438.532 1.860 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)no2)c1 1748693141 YTDWKECVLNNEBQ-SFHVURJKSA-N 433.472 1.630 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 1748751143 CQBLLPPOZQAWNW-PXNSSMCTSA-N 439.582 1.420 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1748790502 IKPWEKDZGUTRTM-HNNXBMFYSA-N 434.518 1.324 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1748812604 XVBBYBBXRNJPSC-GOSISDBHSA-N 430.578 1.699 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1748817108 FEXUKTJIBJGFCN-INIZCTEOSA-N 447.561 1.516 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1748824105 IWGUMLCBCNZMDQ-GOSISDBHSA-N 432.546 1.829 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1748830122 OXDVYRXLLHBMSH-XMMPIXPASA-N 433.512 1.337 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1748983166 KQXKNGRMJXNJEX-LJQANCHMSA-N 427.574 1.697 30 10 IDEE C=C(Br)Cn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1749112944 SDBRWMYGNOGDRY-ROUUACIJSA-N 443.342 1.835 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749668743 DOPNPSFSLWOJFT-IAGOWNOFSA-N 440.552 1.368 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760137801 MXZUDDYOWSESCS-VQTJNVASSA-N 428.581 1.718 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1760155399 XIZCOVVPAFWWKM-QGZVFWFLSA-N 437.566 1.031 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760164118 KRQGKCQLNFDKMF-CVEARBPZSA-N 435.525 1.908 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1760207223 BAEUWDNXBMGQHY-QGZVFWFLSA-N 426.546 1.063 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1760219412 DKVHIYHVSJASSC-NRFANRHFSA-N 447.499 1.428 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1760270447 XRXCFWSCKVOHMV-MJGOQNOKSA-N 444.580 1.443 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760336311 XFKWOHLZAAAOFD-ICSRJNTNSA-N 432.569 1.021 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760347500 DPLIRGFYVHCNCQ-MRXNPFEDSA-N 434.541 1.707 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765254035 LBLIKBZZLJPTEP-LZICOFPGSA-N 425.493 1.425 30 10 IDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1767943484 XOTYIGCFGRXZHY-WBVHZDCISA-N 433.557 1.904 30 10 IDEE COc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)ccc1Cl 1768313188 WCMFLGMUQSTFKQ-HNNXBMFYSA-N 430.896 1.840 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1771040110 PPMVDMREHNHNSR-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@H]2CCOC2)C1 1771528972 WERKNDRZQKOOJK-IERDGZPVSA-N 443.483 1.811 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCC(F)F)CCO1 1771536887 DKVXFYHIUYNNQA-CQSZACIVSA-N 443.414 1.710 30 10 IDEE C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)OP(=O)(O)O 1848436695 GDOMASQXEWHBDG-ZAXZDERASA-N 444.392 1.724 30 10 IDEE COc1cccc(CNC(=O)CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1OC 1850444943 ZSHRNMFFRHNZAZ-UHFFFAOYSA-N 428.533 1.794 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)CC1=O 1856805410 PKBJNZSNHFIGFV-ZWKOTPCHSA-N 436.530 1.802 30 10 IDEE COc1cc(C(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc(OC)c1OC 1858304610 JFYPOITWDKLTOD-INIZCTEOSA-N 445.497 1.777 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCc2cnc[nH]2)c(C(=O)OCC)c1C 1860761179 PEDKDROOBZXQNE-UHFFFAOYSA-N 434.474 1.597 30 10 IDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862568441 PBWDFXDBCALLIV-SFHVURJKSA-N 441.396 1.519 30 10 IDEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870374058 SWQNZATUYWXTNV-UHFFFAOYSA-N 449.511 1.926 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1C[C@@H]1CCCO1 1870585457 LNFWZIQTJWFUON-FQEVSTJZSA-N 431.533 1.439 30 10 IDEE CCc1sc([C@H](C#N)C(=O)CN(CCO)CCO)nc1-c1ccc(OC)c(OC)c1 1872801283 ZYKIRGCLAJUUIJ-OAHLLOKOSA-N 433.530 1.853 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnn([C@H]4CCOC4)c3)CC2)CC1 1889377423 HEFRAYWUHJMJNI-QFIPXVFZSA-N 443.592 1.495 30 10 IDEE C#CCn1ncc(N[C@H]2COC[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1=O 2106022384 RIBVXODDJNLQRJ-YPMHNXCESA-N 427.299 1.591 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124522374 SCDUPNRODNTDQO-YJBOKZPZSA-N 448.369 1.919 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#CCO)ccn1 2164497376 PHFVPCAKZLKPNJ-FQEVSTJZSA-N 431.445 1.192 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247923197 URWSKVADWDZTMU-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248401415 INEQHDQOMHRHNG-GFCCVEGCSA-N 438.359 1.845 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)[nH]n2)OC1(C)C 2255631977 GZEVEQYGBUORDF-JOCHJYFZSA-N 426.326 1.076 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2255654776 CXBLSHWODGLNKC-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255821288 YMWNILPOLWXFIS-UONOGXRCSA-N 434.346 1.705 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824974 ROUPXGLVQXMOGR-ZFWWWQNUSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255826293 NQQISCTZLIWJFA-HIFRSBDPSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830334 DPZDBTVLDTUFHD-ZSEKCTLFSA-N 432.330 1.696 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)n1 2267112191 CMLBKDXLFJLNBX-CYBMUJFWSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2267137610 SABCEICHOZUTIO-GJZGRUSLSA-N 448.329 1.169 30 10 IDEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1NC(=O)C(F)(F)F 2267182795 BBEQQYRVZJXJFQ-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267271202 QMSKGPNXFDLIEC-SJORKVTESA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268654062 VDUPFBYAGNGUDT-QFIPXVFZSA-N 447.341 1.939 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315530782 BDKKQOXLAWAJJZ-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319677888 SKZHJMIFNFYIKF-VGWMRTNUSA-N 440.346 1.412 30 10 IDEE CCc1nnc(SCC(N)=O)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2320988264 AAKHPWQYKSASMZ-UHFFFAOYSA-N 448.549 1.020 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2323148979 XTIWACWWQALVTP-DNVFCKCGSA-N 444.532 1.833 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)CC1 27559782 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MARLWVOWMNMHRY-HXUWFJFHSA-N 444.598 1.759 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)CC1 492374294 HNNZTJGBYWGTLG-UHFFFAOYSA-N 426.311 1.526 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@@H]2CCCO2)c1=O 505698950 FDQOWDPPIPDBJT-KRWDZBQOSA-N 449.536 1.273 30 10 IDEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)n2c1 505897246 CAHPOWIUGUFYQM-UHFFFAOYSA-N 426.458 1.621 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc3c(OC)ccc(Br)c3[nH]2)CC1 516250219 IGNKLAXSLMUIPY-UHFFFAOYSA-N 435.322 1.999 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@H]1CCCO1 518729235 AJARXDBGHRIDOD-QGZVFWFLSA-N 446.532 1.442 30 10 IDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 534881509 MGNSZTSKVUDPAY-UHFFFAOYSA-N 441.513 1.821 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 570808732 YAUFMSCZGWSUBF-KRWDZBQOSA-N 439.520 1.577 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 588961523 IDXPOGPOKDEOOJ-OAHLLOKOSA-N 432.468 1.850 30 10 IDEE COC(=O)CN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 609991748 XGUHATZUHRTRRJ-UHFFFAOYSA-N 427.482 1.572 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 641928800 YSDVZQZQQLPUSV-CVEARBPZSA-N 432.498 1.277 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 746742986 FVTIRGZXHWEMDB-FKHUDQKESA-N 440.500 1.448 30 10 IDEE COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1C#N 746860380 WZTFSGRZXCUWQB-UHFFFAOYSA-N 430.486 1.510 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747495439 RHIDMPPACKYMDQ-UHFFFAOYSA-N 442.497 1.628 30 10 IDEE CCOc1ccc(C(=O)NCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1OCC 764754167 RJOMNMFIHQVDCO-UHFFFAOYSA-N 445.497 1.732 30 10 IDEE Cn1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCCO3)n1 765543729 NZKHVXWJIIIADD-SFHVURJKSA-N 441.513 1.992 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 767833284 HBSSGNRQROTHKS-JTQLQIEISA-N 447.307 1.718 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CCOC)c2=O)cn1 772280080 VGVFNVYREGKLAG-UHFFFAOYSA-N 436.493 1.248 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 781653384 KBRWKVKWPHMINC-UHFFFAOYSA-N 449.536 1.399 30 10 IDEE C=CCOC(=O)N1CCC(OC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 790840625 SKSFXARNBYKDBW-UHFFFAOYSA-N 425.482 1.396 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cnn(CCOC)c2)C1=O 799862397 ZIEBHHFDMCJJNL-QGZVFWFLSA-N 426.502 1.669 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)S(C)(=O)=O 800787704 MIRDMNIXPWQGPU-UHFFFAOYSA-N 433.582 1.898 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 807689481 HCCTVOFRMAIDLC-SFHVURJKSA-N 428.510 1.877 30 10 IDEE C=CCO[C@@H]1CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1116557211 ZYVINQFPBFFJGX-QGZVFWFLSA-N 434.562 1.854 30 10 IDEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 1141968109 HRSFCFJIUPKCSG-ZWKOTPCHSA-N 435.351 1.322 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccnc1-n1cc(Br)cn1 1144429501 VZFJDDAPFUKZJK-SAPNQHFASA-N 431.250 1.286 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1150001172 VPCMQECYAUFOOP-UHFFFAOYSA-N 445.524 1.357 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCN(CCC#N)CC2)C1=O 1152068246 JZGCLUXWYCASDN-IBGZPJMESA-N 448.321 1.274 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(NC(=O)OC(C)(C)C)c2)CC1 1152967595 MUXIFSQIBZBGHE-UHFFFAOYSA-N 436.534 1.567 30 10 IDEE CC(=O)N1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 1174911103 CWVZNNZWNONWCB-UHFFFAOYSA-N 441.513 1.144 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nc[nH]n2)C1 1176692846 CQKURLRFVPXMOW-HNNXBMFYSA-N 430.534 1.810 30 10 IDEE N#CCN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)C1CC1 1190692513 YXHJCIJDSFKELJ-LICLKQGHSA-N 444.538 1.721 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(C)Cc1cc(C#N)cs1)CCS2(=O)=O 1256202206 DEQPMCLVNDLYRF-TXKKKEFDSA-N 425.532 1.660 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1286272655 DDVXTYZNSNAOIU-DLBZAZTESA-N 446.577 1.231 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CCC(=O)N(C)C)c1 1286311090 JSPSKUHTLOPYAF-UHFFFAOYSA-N 445.527 1.798 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1ccnc1C 1286376839 OQRIGPQJWIVHLI-QGZVFWFLSA-N 429.525 1.861 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1286397453 ZMCGCMGXWLSVLY-OALUTQOASA-N 433.578 1.408 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)CN2CCOCC2)CC1 1286486539 OAJFZCUYIZIAER-RTBURBONSA-N 430.597 1.726 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286495358 UURIBNYDCWPVKT-GOSISDBHSA-N 443.577 1.675 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286560490 FKBVYFVKCYFFML-GHTZIAJQSA-N 441.580 1.475 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1286713936 IITLLAPSKPGEMH-UHFFFAOYSA-N 439.563 1.097 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(C)(=O)=O)CCOC1 1288304454 FILCAHSWJKZVHG-IBGZPJMESA-N 425.555 1.493 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1288672668 AOVOWNFNJAQBAI-JTSKRJEESA-N 439.495 1.891 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)CC1 1292889726 LLQPSMBVWTWXKY-OAHLLOKOSA-N 449.577 1.626 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1296248953 HTNBSNCQLXLCMI-QGZVFWFLSA-N 430.484 1.887 30 10 IDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)CCOC1 1299801688 VXTTXVCVQGRYIA-HXUWFJFHSA-N 433.534 1.493 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1300308154 MYCJIFVMFZBGNF-CRAIPNDOSA-N 433.534 1.126 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNS(=O)(=O)CC 1300315027 OKADEYTZKUFVFH-INIZCTEOSA-N 429.550 1.304 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@@H]1C 1300439580 FOGTXLDIWWGXGA-INIZCTEOSA-N 429.521 1.761 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1300455668 OEYGMQQVGQWSRH-UHFFFAOYSA-N 436.516 1.676 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1300479942 VXMIULQGCPUHLS-QGZVFWFLSA-N 433.534 1.465 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300491743 ILHIHMMWHHDOTL-SJORKVTESA-N 449.577 1.205 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1300504550 OMWMXTHKLIBGED-KRWDZBQOSA-N 430.530 1.317 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(C2CC2)C1 1300516445 OVYCMHMHHCTISG-GOSISDBHSA-N 437.569 1.906 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccs2)n1 1300681171 KZUFAUMLQBBMQK-GOSISDBHSA-N 439.545 1.822 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2(C)C)CC1 1300683206 NBZDUNFXWRXWNU-JKSUJKDBSA-N 440.639 1.175 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOC(C)(C)C2)CC1 1301124138 GIBMKUZIDKVDQQ-GOSISDBHSA-N 437.610 1.693 30 10 IDEE C=CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC)C1CC1 1301316442 LAGRWUGMJNEZPT-UHFFFAOYSA-N 431.566 1.838 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1301508316 HUZPHUVSAKNNQA-UHFFFAOYSA-N 438.532 1.992 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)C1 1301542486 BKEWPFHQJLLJDX-WMZHIEFXSA-N 449.596 1.822 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCN(C)C1 1301808469 DPOZQWOYJOJKSM-OAQYLSRUSA-N 434.491 1.580 30 10 IDEE COC(=O)[C@@]1(C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C 1302404889 HGUUAXGHQZTMPR-BTYIYWSLSA-N 435.546 1.943 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccsc2Br)CCO1 1303003274 DOCVJKPHQPUPNY-VXGBXAGGSA-N 437.323 1.830 30 10 IDEE Cc1cc(CN(CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cc(S(N)(=O)=O)c1C 1307895167 QEVGIJNYMDQXCJ-UHFFFAOYSA-N 448.570 1.656 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CS(C)(=O)=O)C2)n(-c2cccc(F)c2)c1C 1308116506 GFTOXSOFDTZNCU-SFHVURJKSA-N 448.520 1.789 30 10 IDEE C[C@]1([C@@H]2CCCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)COC(=O)N1 1312485333 JTEUKJNCVDLEEW-RADWXHQJSA-N 425.489 1.974 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](n4cnc(C(N)=O)n4)C3)n2CC(F)(F)F)cc1 1316529866 HZJOKCOYPYVDDA-AWEZNQCLSA-N 445.409 1.911 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358961319 WISUHFJKMVEJMH-LMMKCTJWSA-N 433.578 1.971 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1358969139 HRNMHTZPNFWNSY-CYBMUJFWSA-N 440.451 1.423 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCn1cc(CO)nn1 1358989540 GXEGEOLWOPRTIW-UHFFFAOYSA-N 433.472 1.311 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC(O)CC1 1358996077 QUMNDPROXVMMNI-UHFFFAOYSA-N 445.571 1.826 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1359203395 OJXMZCWJNQNNQC-KRWDZBQOSA-N 438.554 1.900 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359221659 JYODXJSZBXQZPE-IBGZPJMESA-N 425.555 1.024 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1359296773 UJIKEOZQILHCBG-AWEZNQCLSA-N 429.477 1.264 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)c1 1441892041 XAYMLDRMRUGZKX-QFIPXVFZSA-N 431.489 1.375 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N3CCC(CC#N)CC3)CS(=O)(=O)[C@H]2C1 1447586509 QFXZTJCENCLWOL-BBWFWOEESA-N 425.551 1.809 30 10 IDEE CCOC(Cn1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1)OCC 1448852978 YERKJEZRUWLFTQ-IBGZPJMESA-N 425.489 1.685 30 10 IDEE COc1ccc(CN2CCN(C(=O)CN3CCc4c(sc(N)c4C#N)C3)CC2)cc1 1460893556 GFMNYSONXGPLMX-UHFFFAOYSA-N 425.558 1.913 30 10 IDEE COC(=O)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H]1C(=O)OC 1460932240 FMKXOLUXXIGAOX-DAXOMENPSA-N 433.530 1.967 30 10 IDEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 1464620424 ITLCVQRQMSVOGN-UHFFFAOYSA-N 426.560 1.712 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1ccc(CC#N)cc1 1469415495 YIPJIVOVNVJUPL-IBGZPJMESA-N 443.525 1.611 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1470268494 ZGCANKZUDHXMJA-MGPUTAFESA-N 445.944 1.499 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCOCC2)CC1 1470626647 ORILAQFIINLUSN-UHFFFAOYSA-N 448.589 1.609 30 10 IDEE CCOC(=O)CS[C@@H](CNC(=O)N1CCC(C#N)(C(=O)OC)CC1)C(F)(F)F 1471160282 GQWUFXACUWIHPV-NSHDSACASA-N 425.429 1.702 30 10 IDEE COc1cc(OC)c(NC(=O)CCN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1Cl 1473824328 FWVRFQAVDOQIRC-SGTLLEGYSA-N 427.910 1.556 30 10 IDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C1CCOCC1 1475947346 OTWQHKBSLPAXNE-QGZVFWFLSA-N 437.518 1.266 30 10 IDEE N#CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)F)CC1 1505320982 BSHILUQFXOPASE-UHFFFAOYSA-N 428.447 1.638 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 1507617472 UQERMHAGSYQMPT-ILXRZTDVSA-N 449.499 1.974 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507632883 BFMUSTAGTZVLJA-SFHVURJKSA-N 432.521 1.550 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1507662191 PMNSPVPGHDJBID-IBGZPJMESA-N 432.322 1.660 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1507797823 FKYBXNVMTGGZKZ-DBVUQKKJSA-N 441.532 1.886 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507843107 HVDRIKNDJBOYSD-LSDHHAIUSA-N 430.475 1.895 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1508080023 HNMTZWPEPWBJPX-LJQANCHMSA-N 435.488 1.624 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1508095164 MDKAUJXIVAEWDE-NRFANRHFSA-N 438.576 1.667 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1508106285 VMGYQOSTKOUXLL-GOSISDBHSA-N 438.532 1.715 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)C1 1508111550 ZUPCOMSAUWBJED-HIFRSBDPSA-N 438.554 1.577 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@H]1C 1509187562 WDNHPTMWCHSOHX-MRXNPFEDSA-N 425.537 1.732 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1509771681 LSILWPCASYADGI-UHFFFAOYSA-N 448.531 1.423 30 10 IDEE CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1514471772 FCDPDRLMVWZVJX-GOSISDBHSA-N 432.550 1.919 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(C(N)=O)c1 1516592781 SKKUMZFXTQTJIS-UHFFFAOYSA-N 446.515 1.555 30 10 IDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1518894987 DVNRYLZJDQWIDY-AVRDEDQJSA-N 426.521 1.268 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CC2CS(=O)(=O)C2)cc1 1527665053 FEIYCQPMWIYYJY-JZJYNLBNSA-N 427.548 1.653 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCNC(C)=O)c1 1539042801 JCOVSNMPTLTTRH-IBGZPJMESA-N 438.532 1.755 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539220705 KZGLWJTYTGIRDB-GOSISDBHSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539332116 GFTCNSZACBUWBB-IBGZPJMESA-N 426.546 1.008 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539519868 KQDAJFFKHWHFFO-LJQANCHMSA-N 440.573 1.458 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)C(=O)OC(C)(C)C 1540615070 JJRRBZZJTKOPID-UHFFFAOYSA-N 438.532 1.727 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1540877297 PULILHCPNOVKMW-ZJBJCVSYSA-N 435.569 1.946 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)C)C1 1540888908 ASKWIHHUFKMVPH-HNNXBMFYSA-N 437.504 1.062 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)CC1 1540900409 URROXNOJAZPHJL-UHFFFAOYSA-N 442.549 1.758 30 10 IDEE Cc1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1C(=O)NCCc1ccccc1 1542461007 BFAKRVUJAYPBRX-UHFFFAOYSA-N 431.452 1.740 30 10 IDEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)nc1 1544279194 BSFFLFYHBIDOJO-WBVHZDCISA-N 440.481 1.720 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1548336400 XXZPEJMGYGCHCS-IBGZPJMESA-N 436.513 1.725 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1555073047 AWUQQNRGJMMTNG-HXUWFJFHSA-N 432.550 1.557 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)OCC)cc2Cl)CC1 1558074770 IJRAVWUVYOJLBR-UHFFFAOYSA-N 428.898 1.134 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1560014148 LNCMEEMCPMKEMO-KRWDZBQOSA-N 448.568 1.228 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)O1 1564546872 BFWCGMCWNGXWPV-UWHLTILDSA-N 442.516 1.658 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)Cc1ccccc1 1588025346 XEAXLQZRJODWMC-OALUTQOASA-N 432.546 1.687 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1588035576 VKZJWMOTGVVYJI-IRXDYDNUSA-N 425.555 1.374 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588040970 SZXPIOCHXPKVKW-VQTJNVASSA-N 437.525 1.789 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588064572 KSHWOUWSSNDURO-QGZVFWFLSA-N 447.586 1.083 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1588074954 UTVXPGSKOBTFLT-SFHVURJKSA-N 447.547 1.088 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1588120297 JPCFOERUWXAIBL-HXUWFJFHSA-N 433.516 1.726 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(F)c1)N(C)C 1588637960 LOVAJMXKZKOLCV-OALUTQOASA-N 428.512 1.757 30 10 IDEE C=C(C)Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593684105 SQUCXSROIDVSJN-JTSKRJEESA-N 446.552 1.661 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1595639798 KXBHQKUIXLKSOX-QGZVFWFLSA-N 438.532 1.681 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)C1 1595664399 CYYVLEDBDWAIDP-MOPGFXCFSA-N 432.569 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595785156 RSEDJRRJHTUEDY-OXJNMPFZSA-N 433.534 1.325 30 10 IDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCc2cncc(C#N)c2)C1=O 1596860152 DGFOTEGRYVVFBD-LJQANCHMSA-N 442.273 1.799 30 10 IDEE COc1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc(OC)c1OCC(N)=O 1596979044 VOATURYCEQYZNB-INIZCTEOSA-N 439.472 1.551 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCCC1 1608571195 DNNSATPHCBYSCA-UHFFFAOYSA-N 437.552 1.105 30 10 IDEE CC(C)OCCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1611104740 GULGNBFQVFPLMW-UHFFFAOYSA-N 441.536 1.574 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)COCCO2)C1 1611765914 WIPGLLRKENBZQV-NHCUHLMSSA-N 425.493 1.861 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCS(=O)(=O)N1CCSCC1 1616510277 GHTMGETZVZGOBV-CQSZACIVSA-N 434.584 1.068 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1C[C@H]1C 1620016324 CXGKZGGACSKYJF-KBAYOESNSA-N 442.568 1.898 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1620357605 ZGONNHOWUUELQJ-RCCFBDPRSA-N 433.896 1.779 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 1630435973 FVUTXDWPIKPWAB-AWEZNQCLSA-N 439.350 1.973 30 10 IDEE C=CCn1cc(C(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)nn1 1630518432 PGTLZYMQUNWRBT-UHFFFAOYSA-N 434.541 1.832 30 10 IDEE COc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2=O)cc1 1631693906 BPVXUYLLSFZECZ-OAQYLSRUSA-N 434.500 1.595 30 10 IDEE C=CCC1(O)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)C1 1634492092 JQNLABNZBODXNF-UHFFFAOYSA-N 443.525 1.887 30 10 IDEE C=CCOC[C@H](NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)C(=O)OC 1635159208 VHJANJOLGHXZER-ZDUSSCGKSA-N 429.399 1.553 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)/C=C\c2cc(Br)c(O)c(OC)c2)CC1 1635993408 MQOSIDPDHVRYKA-PLNGDYQASA-N 436.306 1.070 30 10 IDEE Cc1cnc(C2(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CCOCC2)[nH]1 1636052006 XMBRKYUZNMQONW-ZDUSSCGKSA-N 431.518 1.357 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1639419783 GKMRKFRXOWZINX-QFIPXVFZSA-N 442.520 1.639 30 10 IDEE CON(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](C)C(=O)OC(C)(C)C 1643866389 BNTGVKDYZKILBA-CJNGLKHVSA-N 430.461 1.883 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1648587105 ZZMDWGIARKKPCH-RYRKJORJSA-N 426.922 1.153 30 10 IDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCOCCN2C(=O)c3ccccc3C2=O)C1=O 1651790057 TXUMOFNESKAOMR-QHCPKHFHSA-N 432.436 1.638 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)COc1ccccc1C#N 1652619925 GZHGCDOZYJHECJ-MSOLQXFVSA-N 433.505 1.782 30 10 IDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1669427540 PHZVBRLBJVFBJJ-DOMZBBRYSA-N 435.365 1.324 30 10 IDEE C#CC[C@@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1674841756 TZSOLFIZDMGOOM-INIZCTEOSA-N 428.493 1.475 30 10 IDEE Cn1cc(CNC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(-c2ccc(C#N)cc2)n1 1681498722 DDFCMQBNALGXOE-FQEVSTJZSA-N 429.502 1.058 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)cc1F 1685603985 WOGIECARDHVJMB-INIZCTEOSA-N 441.398 1.188 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689986287 MROPWLYRSMPODU-SFHVURJKSA-N 427.530 1.098 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689986704 VPHSCMMPNWHYRF-JWRCQZCYSA-N 449.602 1.514 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690308563 SAQCHMYPIKEFGY-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1690715809 VLLNCHGIYSWYKA-PKOBYXMFSA-N 435.598 1.440 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1695793636 BIAYXXKEBOCBCH-UHFFFAOYSA-N 433.520 1.958 30 10 IDEE CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1696479934 IRLDYFVHGWXMCR-UHFFFAOYSA-N 443.577 1.964 30 10 IDEE COc1cccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)N(C)C)c1 1697504078 FIJFFFYMHZAEIL-PMACEKPBSA-N 436.520 1.719 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1697934750 GNSCEIZBLKZTJX-HTAPYJJXSA-N 442.520 1.218 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccccc2C)CC1 1705641800 URUAUAJABIJQNP-FQEVSTJZSA-N 436.560 1.932 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCCO)CC1 1705645694 AOXQQDKVXAQJBP-UHFFFAOYSA-N 446.939 1.358 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCC(=O)N(CC)CC)CC1 1705647951 MNDCACKERFWCEH-LJQANCHMSA-N 444.580 1.396 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1705792363 RPYMXPUQHQBAOJ-DNVCBOLYSA-N 440.545 1.655 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1705819675 RMHIEHFSFPBCGK-CVEARBPZSA-N 427.571 1.438 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705835049 YJFFKWZABZTMRE-HZPDHXFCSA-N 432.550 1.564 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCOC2)C1 1705898786 XQFQYPYKZDJVSC-QFIPXVFZSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705907312 IGDJJVPFLBIASW-NRFANRHFSA-N 433.560 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCC2)CC1 1705928531 RFBQAXORDCCAIP-UHFFFAOYSA-N 438.598 1.082 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1[C@@H]1C[C@H]1CF 1706162239 UZSOZPFDXORBCG-JJXSEGSLSA-N 436.488 1.846 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1707951165 FXUYYLMDFLPGII-OAHLLOKOSA-N 433.520 1.878 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1712344918 AAJWCKQWIODELR-GOSISDBHSA-N 438.532 1.962 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC=CCO1 1712537834 XBJZQGNQDNBFCX-YJBOKZPZSA-N 440.504 1.882 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722318612 FEJJLVGKOICSOQ-ROUUACIJSA-N 428.537 1.742 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722351155 HODSFBVXMIIDAO-VSZNYVQBSA-N 431.537 1.876 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722368461 RWZAUIQLWCEOJD-OALUTQOASA-N 446.577 1.394 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC(F)(F)CO2)CC1 1722447108 FAIXAODSZFZHLD-SJORKVTESA-N 437.491 1.910 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccnc2OCC)CC1 1722450644 OIXUQOFZYXKQEB-UHFFFAOYSA-N 426.521 1.622 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722492546 CASYSWLXOKKUIJ-SCTDSRPQSA-N 430.553 1.599 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1722508449 LJQOLNHCIIKZLM-SQNIBIBYSA-N 434.566 1.531 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(N)=O)cc2)CC1 1722573915 CMQXTMKFEUQPMO-AWEZNQCLSA-N 447.565 1.830 30 10 IDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722606111 DWZXJPGXIFTBHP-UHFFFAOYSA-N 428.585 1.706 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722626426 DECBALMDPATRIW-VXKWHMMOSA-N 449.552 1.942 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1722701619 XMZYZOMQPOTYTC-UHFFFAOYSA-N 446.559 1.872 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1723085965 IBWUGZGMVGPFNN-UHFFFAOYSA-N 425.537 1.357 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1729486881 LAYNKCKVWLCTRN-BZROSYFNSA-N 437.504 1.263 30 10 IDEE CO[C@@H](C)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1729844147 PNKJCJXMTGRPKJ-OYHNWAKOSA-N 442.520 1.889 30 10 IDEE COCCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1730710993 HPSXGHASESREQV-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(F)(F)F)CC2)o1 1731184404 MICRUQOJLHYQIS-UHFFFAOYSA-N 437.426 1.711 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1740534461 ZCQDGPPFXNBTFJ-NEPJUHHUSA-N 445.471 1.398 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1740551861 WCPLOPXKAPSZLK-JKSUJKDBSA-N 448.568 1.817 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740573287 AVEUUYHHMISNNX-KRWDZBQOSA-N 433.578 1.432 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740579838 UVHLBNQCNYYJEE-OAQYLSRUSA-N 436.560 1.783 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1740682783 JKJUHHUHIRQXAU-UHFFFAOYSA-N 440.529 1.316 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)CCC(C)C)CC1 1740692620 NDPYGKUJEKAGND-PKTZIBPZSA-N 433.597 1.873 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740968260 GKJMKJOYHPLSIX-FUHWJXTLSA-N 438.532 1.552 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740968777 OOCAPTGHZLLWHF-KRWDZBQOSA-N 438.532 1.794 30 10 IDEE Cc1occc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1742065036 XQMJZVQGIFXRHY-ZJYNUGOYSA-N 439.476 1.293 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1743402127 LIDOCCWBMYSLEG-MEUCICPISA-N 429.525 1.423 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C[C@H]1CC 1747372233 JTJOKGSVEBUELT-HXUWFJFHSA-N 449.563 1.931 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1747530421 HZTSHQITBANSNR-MJGOQNOKSA-N 435.532 1.648 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1748673012 YGQUEOAVQPFBNX-SJLPKXTDSA-N 429.546 1.377 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1748846146 DPQMHLFWTHVCMN-HSALFYBXSA-N 431.606 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC 1748864081 PGRIRZCRMAKGBA-UHFFFAOYSA-N 426.908 1.461 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748901498 ZPTNFWHCIXZCDV-WOJBJXKFSA-N 426.565 1.363 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749031708 GWMKVRYYNBKTQL-UHFFFAOYSA-N 427.578 1.051 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H](C)O1 1749575320 ACVCOPSVXXIKKA-YJBOKZPZSA-N 428.493 1.057 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(Cl)ccn1 1749683000 GBHJCOZKUWDNRJ-KSSFIOAISA-N 434.928 1.989 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC)CC1 1749690936 WVRONOOYHGPQBY-UHFFFAOYSA-N 434.504 1.810 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(C#N)o1 1749970514 UKSJTUKEHNRFCP-QRWLVFNGSA-N 449.533 1.530 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCOCC2CCOCC2)CCO1 1750388946 UNAGIVKIAVKILF-FQEVSTJZSA-N 426.521 1.826 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](N3CCOCC3)[C@H](C)C2)n1Cc1ccc(C#N)o1 1750925055 WQDLUJIHHXPRPS-CRAIPNDOSA-N 427.509 1.086 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCOC[C@@H]1C 1750953907 GHVDTGAIRZOIEI-GJZGRUSLSA-N 439.520 1.624 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1CCOCC1 1750965055 CDMIYDVNPCFAAF-UHFFFAOYSA-N 438.536 1.436 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1751273063 NFCQGPFAEYRNIV-QRQCRPRQSA-N 436.520 1.970 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760155057 OSVGQLDCHDZZCL-QGZVFWFLSA-N 433.578 1.575 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760157670 XQUYIMYYVOROAV-UHFFFAOYSA-N 436.516 1.482 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N1CCSCC1 1760168399 ADWLRKCVGHWOAN-UHFFFAOYSA-N 449.558 1.122 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2cnn(C)c2)CC1 1760268804 PKNNGWBKNATIPU-UHFFFAOYSA-N 446.559 1.981 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760348887 PUMDNMSGQHJVHP-SCTDSRPQSA-N 443.552 1.976 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OCC)CCOC1 1760349660 VIOMAFNTYSDUCZ-QRWLVFNGSA-N 430.513 1.038 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1760503089 YNFUMMRBXOQMEB-UHFFFAOYSA-N 438.536 1.597 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760516288 KNIMYAVVGYMUOB-OAHLLOKOSA-N 426.587 1.344 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760556575 IKMJEYNFTDPOIS-SFHVURJKSA-N 446.602 1.708 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1761550231 NEXKZKGTLONSNT-OXQOHEQNSA-N 446.458 1.855 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCOC 1763758407 ABISFKUYTSJYRG-DLBZAZTESA-N 428.541 1.831 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccco2)CC1 1765648165 GECLAZVTDRYHSM-UHFFFAOYSA-N 449.515 1.628 30 10 IDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC1=O 1769070737 LYOCLPVUKDTQPT-UHFFFAOYSA-N 430.534 1.310 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@@H]2CCOC2)CCO1 1770746988 KHVBVXUCIBXJCJ-QZTJIDSGSA-N 428.449 1.778 30 10 IDEE COCCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1771013937 KZESFOSQJNRYID-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1772555195 WTFHPDJRQDVXPT-JOCHJYFZSA-N 426.521 1.875 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)CCN2C(=O)c3cccnc3C2=O)C[C@H]1c1ccccc1Cl 1849100481 GSJIOCOWSNKPSG-CZUORRHYSA-N 444.900 1.900 30 10 IDEE COc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1851580623 RCCQXGFGMDFMAY-LJQANCHMSA-N 449.511 1.680 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2ccc(F)c(F)c2)CC1 1853412481 ASPMSQZAZQZCJQ-UHFFFAOYSA-N 443.472 1.530 30 10 IDEE C=C1CCCN([C@H]2CCN(C(=O)[C@H](C)N3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1854781154 BJSBPBUEHBNHIX-RDJZCZTQSA-N 431.514 1.389 30 10 IDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(C)cc2)C1=O 1863620497 WEAUCCPWIPWEOR-UHFFFAOYSA-N 425.510 1.741 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C)nn2-c1ccccn1 1864319522 WSEUAUWPFULVRV-FQEVSTJZSA-N 447.495 1.944 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 1985007879 RMMDBXZNOLTDTG-VGWMRTNUSA-N 425.526 1.683 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2060624906 DFBYQTABFZLSJA-LSDHHAIUSA-N 437.346 1.807 30 10 IDEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124522893 YZSRJXQVYOQISO-ZFWWWQNUSA-N 448.329 1.739 30 10 IDEE C#CCCN1CCC[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2204041919 SQGZZPDHQXSVGQ-KKSFZXQISA-N 435.521 1.418 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243390169 PXEFPDLVJLYDQW-LLVKDONJSA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248412533 LDULRBRNSDHFLH-UHFFFAOYSA-N 438.359 1.590 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1[C@@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C 2253702126 JSPLRHGNUVPSPS-JHJVBQTASA-N 443.360 1.464 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255653485 JIKHRTJNLKKIRM-GJZGRUSLSA-N 436.314 1.679 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C 2255881056 PPBNRVRKZHQOKU-UHFFFAOYSA-N 437.350 1.538 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC4(C3)OCCO4)cc2Cl)OC1(C)C 2255931238 ICCBNPWBSKKHCN-UHFFFAOYSA-N 435.760 1.838 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256624896 YWAHUEAJLXSVHJ-FZMZJTMJSA-N 439.293 1.733 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)n1 2267112880 NAKZREKOCCFWJS-NRFANRHFSA-N 449.361 1.634 30 10 IDEE CCn1cc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267193782 KIIWBXROVFQEMK-FPTDNZKUSA-N 446.357 1.941 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@H]2NC(=O)OC(C)(C)C 2267495488 MSAQVVASQMSMOM-WOWRSWPSSA-N 446.357 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267517520 UYDFAFROJHFFSE-HUUCEWRRSA-N 448.329 1.169 30 10 IDEE CCON(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267602021 FSWMBANQRZGAPE-UHFFFAOYSA-N 448.329 1.789 30 10 IDEE CN(CCOCCO)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312592 YOVWOLIBBFZIIB-UHFFFAOYSA-N 425.765 1.330 30 10 IDEE C[C@@H](C#CC(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OC(C)(C)C 2307109605 OLTYJCWJZDFKQT-AWEZNQCLSA-N 439.509 1.874 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C 2315589764 RTJRYLVWNCUSQR-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CCCOc1c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)cccc1OC 2330770441 LLASGOTXBNMLRU-UHFFFAOYSA-N 435.506 1.859 30 10 IDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 71530948 MSFMFIKAALZXAY-LBPRGKRZSA-N 436.939 1.289 30 10 IDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c1=O 101455725 JCCSIAGNKJJXLW-AWEZNQCLSA-N 444.444 1.152 30 10 IDEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 102506199 LXOWYNDEOOISHQ-DQVIVYRFSA-N 447.495 1.792 30 10 IDEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCN1CCO 426483185 BTLUSJQGMVAHHV-QZTJIDSGSA-N 429.565 1.354 30 10 IDEE Cc1noc(CN2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2)n1 446625180 QQZKQNKXALZHAT-UHFFFAOYSA-N 425.493 1.862 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC1 469828686 DLMIYMNITGFROL-YZVOILCLSA-N 438.488 1.041 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@@H]1CCCO1 477433034 GEYSNJLEPVXOJB-ZDUSSCGKSA-N 433.555 1.188 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 490287877 RPENBTNKNJRTBW-UHFFFAOYSA-N 426.517 1.792 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CC1 503624552 JXNWEXUIOIBLGD-UHFFFAOYSA-N 430.461 1.825 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 508885094 MHSPZPDMPWTPEG-MRXNPFEDSA-N 433.534 1.771 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 522674801 JIZQXJHNSAGWJO-MRXNPFEDSA-N 438.505 1.690 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3scnc3C3CC3)CC2)cc1 534989408 AJCSVLFYOVNKJT-UHFFFAOYSA-N 445.526 1.364 30 10 IDEE N#CC(C(=O)c1ccc(Cl)cc1F)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 536895615 CADSJKWEJVYBOK-UHFFFAOYSA-N 441.871 1.574 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 555331138 KCVVAWXWWVGYMB-MAUKXSAKSA-N 430.505 1.617 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)OCCOCCC)cc21 586357403 JYOLPBHJTHIMPD-DHMKHTPVSA-N 437.514 1.888 30 10 IDEE CN(CCN(CCN1CCCC1)C(=O)c1cc(C#N)ccn1)C(=O)c1cc(C#N)ccn1 588165338 YCKMEJHCYSAWEV-UHFFFAOYSA-N 431.500 1.530 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 590914009 LZXDJLAHKOLHPI-QGZVFWFLSA-N 429.517 1.503 30 10 IDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2c(cc1C#N)CCCC2 614299346 BYXNTADMYKRZAH-UHFFFAOYSA-N 429.502 1.444 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@]2(C)CCOC2)C1=O 733078532 YYBYKILQCXAVTG-HJLHBQNASA-N 447.605 1.419 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCSC)c2=O)cn1 735067898 BDFIXFPCSQDPFM-UHFFFAOYSA-N 431.587 1.051 30 10 IDEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 736548826 AUKMSAKPDQNTJQ-CQSZACIVSA-N 437.461 1.214 30 10 IDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742603410 HYPULCKTFBPCSS-CVEARBPZSA-N 448.589 1.903 30 10 IDEE COc1ccc(COC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1C#N 746976860 ANSGZBHVPSJWGM-UHFFFAOYSA-N 431.470 1.889 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C[C@H]1CCOC1 749858453 YKWSZOSZYDBCSI-GFCCVEGCSA-N 434.290 1.875 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 751925696 SSXOGSTXUDCPHR-HIFRSBDPSA-N 426.502 1.880 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 770889111 BRDJTUVTBMHTDI-KRWDZBQOSA-N 444.557 1.366 30 10 IDEE C#CCCCCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 773253897 BZQRJZVCCFYYKH-UHFFFAOYSA-N 426.560 1.425 30 10 IDEE C#CCN(C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)[C@H]1CCS(=O)(=O)C1 774186642 LQTFLNBCYSRRHB-IBGZPJMESA-N 426.498 1.666 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774251096 MYRFUJLETQWQPI-MSOLQXFVSA-N 435.546 1.110 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1C#N 774334005 DJIOOLNJZYXHIC-UHFFFAOYSA-N 436.877 1.847 30 10 IDEE COCCCS(=O)(=O)N1CCC(OC(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 774975514 YRLHBJYKJNYSAL-UHFFFAOYSA-N 439.534 1.582 30 10 IDEE Cc1cc(S(=O)(=O)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)sc1C 775291018 HZVCYOWZVOOTCM-OAHLLOKOSA-N 446.510 1.947 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 780203373 BQFHZDFRDKIKIC-QUCCMNQESA-N 426.450 1.479 30 10 IDEE Cc1cc(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 781394555 LFKATDUPVHBLHL-QGZVFWFLSA-N 442.497 1.636 30 10 IDEE CN(C)CC(C)(C)Cn1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782749679 SSQDFZPFGDPIQP-UHFFFAOYSA-N 449.378 1.020 30 10 IDEE Cn1nnc2ccc(C(=O)NS(=O)(=O)c3cc(Br)c(C#N)cc3F)cc21 809123974 ODQVSCHOJRLMTL-UHFFFAOYSA-N 438.238 1.860 30 10 IDEE COc1cccc2cc(C=c3sc(=C(C#N)C#N)n(CCN4CCOCC4)c3=O)oc12 917355258 DCGYGHLFNSBUNW-UHFFFAOYSA-N 436.493 1.023 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 917509654 YPTDGWXNNUXGCS-QGZVFWFLSA-N 428.470 1.372 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3OC)n2N)cc1O 1084377856 OLGFNGDNKWAORU-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1286352971 PKKUMJGIMNMLTO-MSOLQXFVSA-N 449.533 1.195 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1286410794 WTBUXMXLPTWIEP-KRWDZBQOSA-N 449.536 1.858 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1286420047 KVGKUUQSZBXJRS-MOPGFXCFSA-N 434.610 1.616 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1286455525 FOPIUKWTRJFFCY-PGRDOPGGSA-N 427.480 1.814 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CC4(CCOCC4)CO3)CC2)cc1 1287936456 NMSMNUKGYUMRMY-IBGZPJMESA-N 447.557 1.661 30 10 IDEE CCC[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1293931209 CPTIBVZBPHUCEX-CVTQAYBASA-N 429.525 1.552 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCc1ccc(C(=O)NO)cc1)N2C(=O)OC(C)(C)C 1297054044 HLQIZEQPEIWIKT-LUKYLMHMSA-N 447.488 1.609 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)[C@H]4CCC[C@@H]43)C2)C1 1297936527 FCRBMKLVEZTTCG-QHVLMSRDSA-N 437.562 1.951 30 10 IDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1)C1CC1 1298037034 FUNUTJVVFCRVGL-ICSRJNTNSA-N 437.548 1.771 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1300495435 HPODJPMSGWWRTE-INIZCTEOSA-N 428.624 1.609 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(CC)CC 1300528006 NWFOKRQNUSDWGX-GOSISDBHSA-N 431.544 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1300570321 LYHBSRWUBSLTJA-XTQSDGFTSA-N 444.495 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1 1300725787 JZDPQARCJYJPTK-GOSISDBHSA-N 435.594 1.410 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1300732241 KYEAIBCUPDOBMV-OAHLLOKOSA-N 427.596 1.140 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300983977 UHLWDIAZRTUFEB-KRWDZBQOSA-N 442.568 1.060 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1301207530 YCICOOTYKZVZNL-SFHVURJKSA-N 446.577 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301483327 ODIWEVPFHVXDJV-QGZVFWFLSA-N 439.476 1.525 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1301490252 ONGKMTTYVJSDBH-UHFFFAOYSA-N 426.521 1.105 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301586459 MDIGIDJKNYIKRB-HXUWFJFHSA-N 444.605 1.929 30 10 IDEE CC(=O)NCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1301923996 FBOGHOLOMUYNQZ-AWEZNQCLSA-N 432.554 1.360 30 10 IDEE CS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1302468487 DAROAFVLLPOBMX-UHFFFAOYSA-N 436.563 1.444 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOC1=O 1302908479 QMOCLDVSYZWARJ-UHFFFAOYSA-N 425.493 1.854 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1303007873 AJAJVOLCBCLHJU-BTYIYWSLSA-N 430.509 1.922 30 10 IDEE NC(=O)[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1303024666 LLFJREJWRONWLS-IENXAOORSA-N 427.509 1.164 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCc3cnccn3)CC2)CC1 1308025909 YWHVKINGRUJICZ-HXUWFJFHSA-N 439.589 1.107 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 1312450961 OQPIMRMAMKJPQR-HXUWFJFHSA-N 428.514 1.973 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1316257752 QNZJGJJVSOJAPU-GOSISDBHSA-N 425.493 1.084 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@@H]4CCCC[C@H]43)C2=O)cc1 1340125305 IFXKGWDBKQJMDK-KZNAEPCWSA-N 444.513 1.331 30 10 IDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)nn1 1351937311 URDXLLQOXMCOOK-UHFFFAOYSA-N 448.549 1.584 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1358919144 SRIKSNGCOPPVBR-OYRHEFFESA-N 441.624 1.922 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358960245 ABFIWNXMFBSDLJ-QGZVFWFLSA-N 431.566 1.092 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1358985172 RILZOBPOTSXWMP-MRXNPFEDSA-N 445.545 1.417 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@@](C)=O)CC1 1359026218 ORGRMWOXZGCHFB-SSEXGKCCSA-N 426.546 1.514 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359045473 ITKAGMXMGQMLIC-RBUKOAKNSA-N 431.581 1.884 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)[C@H](C)CC)CC1 1359046877 JHRUNWCZVFDBNA-GOSISDBHSA-N 443.596 1.097 30 10 IDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)CC1 1359050111 GLHXHQMZKAPMQC-UHFFFAOYSA-N 428.381 1.971 30 10 IDEE C=C(C)COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1359135067 QVLVSXQARPUVRN-HXUWFJFHSA-N 438.532 1.894 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359182425 GGZHMWCKVPTCHR-GOSISDBHSA-N 445.612 1.761 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359297453 QWAAGUFQTZEHPP-GOSISDBHSA-N 437.552 1.711 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1359301696 ICIYHPBUSGAQJM-UHFFFAOYSA-N 429.500 1.162 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)C1 1359313665 PRDHQOUWDPJEOI-GOEBONIOSA-N 436.538 1.122 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359315941 FJXMHQOABCBKCB-KNQAVFIVSA-N 446.573 1.838 30 10 IDEE C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359337802 AUONKNCYNIHLED-MRXNPFEDSA-N 429.506 1.986 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1359478305 QKFYIERVSQBFOR-GXYOHSSGSA-N 434.541 1.796 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2cc3ccccc3nc2OCCC)CC1 1455116031 VSNBRUDLCCJATL-KTKRTIGZSA-N 442.541 1.649 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCOc2cccc(I)c2)CC1 1465872060 ALHBZSNWVDIKQO-UHFFFAOYSA-N 427.242 1.645 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)C2)c(=O)nc1O 1469870100 URQQYRJTMVWAPA-CYBMUJFWSA-N 448.405 1.685 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)CC1 1469922371 OXOZRYOEMHBEPY-HZPDHXFCSA-N 445.482 1.711 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(n2nncc2I)CC1)C1CCOCC1 1470867584 WYNNMZWFGBNUMT-CQSZACIVSA-N 443.289 1.658 30 10 IDEE CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1475593694 FRICMJASIFKBIM-UHFFFAOYSA-N 434.543 1.319 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c1 1503740360 HGXZAMVQRJFFRJ-ZIAGYGMSSA-N 433.538 1.035 30 10 IDEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c(OC)n1 1504259948 FEHHCTADUUEKCJ-FQEVSTJZSA-N 429.456 1.417 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1505135014 ODQZEHFBTRGFMT-UHFFFAOYSA-N 442.501 1.429 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC=CCC1 1505350945 JXOQZHZMKHYSDS-ZPHPHTNESA-N 434.460 1.218 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1507536098 AHXVAUQEPGEXID-HZPDHXFCSA-N 434.541 1.523 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507677603 CNTFUUPJHYDUGE-QGZVFWFLSA-N 437.552 1.474 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507801368 UQBHBWXMUKBUNS-XQPJFTJZSA-N 446.596 1.756 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1)C1CC1 1507992695 HUAVNBYCHXFBQT-ZWKOTPCHSA-N 436.626 1.361 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 1508092100 XYSRNMMNCYUMBZ-HNNXBMFYSA-N 446.581 1.562 30 10 IDEE C=CCSCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1508167266 HBRKOIJKRGETAL-OAQYLSRUSA-N 445.593 1.966 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOC1=O 1539171980 QPPIMWFRIDIDAY-UHFFFAOYSA-N 431.522 1.150 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)nc1 1539330971 DWWICBQTRAXJNR-UHFFFAOYSA-N 447.543 1.143 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539772973 PKZOAKQKDVPEAD-LSDHHAIUSA-N 426.949 1.536 30 10 IDEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539812809 RHFZUYVAUWSHNZ-UHFFFAOYSA-N 442.951 1.743 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1539902613 LJJLUZLKXASICY-HOTGVXAUSA-N 426.587 1.011 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1540863197 QZSIMSZWPDOCGW-JCGIZDLHSA-N 433.484 1.709 30 10 IDEE C=CCOc1ccc(Cn2c(Nc3cnn(C)c3)nnc2[C@@H](C)NS(C)(=O)=O)cc1 1540878686 DYPNGCKTKWWCBF-CQSZACIVSA-N 431.522 1.979 30 10 IDEE Cc1cc(NC(=O)CN2CCN(c3nnc(C(C)C)n3Cc3ccc(C#N)o3)CC2)no1 1542234447 RJIHZCPIJRKFRT-UHFFFAOYSA-N 438.492 1.972 30 10 IDEE COc1ccnc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 1542623337 WYLJMYJLWDPDLI-UHFFFAOYSA-N 429.521 1.784 30 10 IDEE C#CCOc1ccccc1CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1543727860 JQWGBMABTLAUFV-UHFFFAOYSA-N 434.539 1.836 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1543866537 XIDQCAHIRGKPAV-DBVUQKKJSA-N 449.573 1.920 30 10 IDEE CCCCCNC(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1546983576 BIUFLJDJOALPIE-XUTLUUPISA-N 443.552 1.636 30 10 IDEE CCCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547258996 KZYYYMYZNMJIBS-UHFFFAOYSA-N 437.529 1.992 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1547311723 GKQQNXWROWJMKU-LJQANCHMSA-N 426.521 1.927 30 10 IDEE CN(CCN1CCOCC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1554301707 CUNWEVFHIJZRQJ-FMQUCBEESA-N 445.568 1.162 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1555418836 DUWQSYKQKXDDDQ-NBCNXNJRSA-N 429.521 1.844 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1555605904 JLKRKXWBTUSPHT-UHFFFAOYSA-N 435.488 1.832 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1555726820 BUOPSDCNUARSFV-ZQIUZPCESA-N 435.506 1.138 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCO[C@@H]2CCOC2)cc1 1555989289 FRVNMMIAVKBENM-GOSISDBHSA-N 431.518 1.247 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(I)n1 1556132017 BUBFALROAOCFOJ-MWLCHTKSSA-N 445.261 1.514 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H]2[C@@H]1CCCN2CCO 1558701908 IDTAHCQIVSEDOV-MOPGFXCFSA-N 448.589 1.343 30 10 IDEE C=CCOCCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1565082442 JXYMZAPDTXKNIH-BBWFWOEESA-N 438.525 1.803 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)c1cc[nH]n1 1583485878 ZODBKZJWHQHSAB-KRWDZBQOSA-N 427.461 1.173 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1587638093 BLKOIBPRPRQUDS-RDJZCZTQSA-N 433.534 1.107 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588034091 AZABNDLYEFBWED-SFHVURJKSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1588050848 WAJVQUFBEYVGPB-BQFCYCMXSA-N 430.534 1.177 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C(C)=O)CC1 1588173555 DXLFVHGDZBCGDR-UHFFFAOYSA-N 426.565 1.918 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 1588198971 CUUYZJDOLTXNRW-UHFFFAOYSA-N 442.472 1.715 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)CC1 1589053291 MPYXXWHJXQGQBP-UHFFFAOYSA-N 432.550 1.141 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1589530897 ZBCTZPNWMGMYME-WMZOPIPTSA-N 426.525 1.568 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595555855 JIYYEBPUHMUEHV-GOSISDBHSA-N 440.548 1.484 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ncc(C#N)cc2Cl)C1 1597577457 WHYWBYSAXVVUIC-CYBMUJFWSA-N 442.925 1.761 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCCN3CC(F)(F)F)C2=O)cc1 1611409482 HNLPKQUMBKHJGM-HOTGVXAUSA-N 437.422 1.906 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1611768042 YNVSUVHYRULLCO-DYESRHJHSA-N 448.593 1.617 30 10 IDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)n(C)n1 1612466841 CQGGCKRDHGGPGP-UHFFFAOYSA-N 439.545 1.920 30 10 IDEE COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@@H]12 1616175524 ZMEZWXNPOOEALR-SEBNEYGDSA-N 433.452 1.271 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1617375062 JNZHOJATABSOGP-UHFFFAOYSA-N 449.537 1.075 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1617594854 GJOZRFHHNAPICK-IBGZPJMESA-N 437.548 1.454 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cc(F)ncn4)CC3)CC2=O)cc1Cl 1628114148 COJBPMYRSGIIKR-CQSZACIVSA-N 428.855 1.842 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cn1nc(Br)c(Br)n1 1632218731 IPAWOSBBCWLWRK-NSHDSACASA-N 443.099 1.867 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)o1 1632501289 PTSXCUOJBWMFCC-RDJZCZTQSA-N 433.509 1.558 30 10 IDEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CC(O)(C(N)=O)C2)ccc1Cl 1634667228 ULQZQBLGULWZFE-UHFFFAOYSA-N 449.916 1.394 30 10 IDEE C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1=O 1636223964 IYUUHXQYSXAFPI-SUMWQHHRSA-N 427.436 1.218 30 10 IDEE C=CCn1cc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)nn1 1638491551 BWLGQGDSLUPPGC-QFIPXVFZSA-N 444.495 1.594 30 10 IDEE COC(=O)c1ccc(N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)c(C#N)n1 1642298427 CQRPXAGMOOORFJ-UHFFFAOYSA-N 443.529 1.149 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1645274473 QJZCFMBHKVQUKE-YJBOKZPZSA-N 439.965 1.087 30 10 IDEE CC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1649576936 OSYGNJKDONLSHR-JFIYKMOQSA-N 426.525 1.931 30 10 IDEE COc1c(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc(Cl)cc1C(N)=O 1677452035 DCYSHIKDEJPVEZ-LLVKDONJSA-N 429.868 1.852 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1689853020 NXYQTLDMOHZYET-SJORKVTESA-N 439.582 1.418 30 10 IDEE C#CCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1689940746 BVOVKFZLRCKAOP-GCJKJVERSA-N 430.553 1.772 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1689946252 NWJKSYGFIQHBLI-AZUAARDMSA-N 444.605 1.522 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690056174 IKOFFRKUYLYPGW-SJORKVTESA-N 425.455 1.856 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCC)c(OC)c2)CC1 1690120213 LTYUCZKCYWZDQK-UHFFFAOYSA-N 433.516 1.946 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCSC2)CC1 1690154154 JKNFQJDEICPXJV-NEWSRXKRSA-N 447.605 1.721 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690308321 KIKHEAMIPIUQNB-UHFFFAOYSA-N 427.509 1.397 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccs2)CC1 1690363934 FHERHIIGEXVIDM-CQSZACIVSA-N 438.579 1.536 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690497441 QIHXPOWZVJTKIM-UHFFFAOYSA-N 438.536 1.602 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1690670501 CURGAFQCKPAXBU-HKUYNNGSSA-N 427.505 1.368 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690727217 XHDYXEYUMCHBCN-RBUKOAKNSA-N 447.561 1.249 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1692590077 BMBKGJNRFKQHOB-GCJKJVERSA-N 440.504 1.195 30 10 IDEE C[C@@H](COCc1ccccc1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1692738603 FYHKVGOVQZNHEX-QUCCMNQESA-N 438.532 1.982 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1693787620 IGGQDOHZMPFPPF-ZJYNUGOYSA-N 425.493 1.425 30 10 IDEE CCN1CCN([C@H](C)Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1695873885 ZFCSMNUEBVTNNN-TXTKFYIRSA-N 447.628 1.941 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CCO1 1698492469 CPRBDPVLZNYDSM-CZUORRHYSA-N 434.859 1.829 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1705477568 PTFYFMOITYIOKV-KGLIPLIRSA-N 445.549 1.290 30 10 IDEE C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705511607 ZRVOYFJHHFREQW-OAHLLOKOSA-N 435.326 1.790 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1705565485 VCGGZZMRZFFEFX-GBESFXJTSA-N 429.546 1.782 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1705612917 SHEFTYCUCMQMLU-MRXNPFEDSA-N 431.566 1.200 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1705843682 LHVPEZQRONLIBI-IBGZPJMESA-N 444.561 1.957 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1708619828 YAEAPHPRFFIFQZ-YOEHRIQHSA-N 427.465 1.887 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1711158666 XRRDUHUTEHZGBZ-QGZVFWFLSA-N 433.534 1.351 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1712372323 IPJIFQRYSZMDBS-KRWDZBQOSA-N 425.493 1.369 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1722346680 VLNYJASIPQGWNV-QGZVFWFLSA-N 436.559 1.385 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1722428967 DMKWZJXGQIXGLK-ICSRJNTNSA-N 428.581 1.933 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1722551510 ACGJTDYUQZRUCL-KBPBESRZSA-N 440.932 1.651 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722695202 WUGYHVFBAGOKMA-SBUREZEXSA-N 436.516 1.893 30 10 IDEE CC1(C)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCNS(C)(=O)=O)C[C@@H]21 1724018308 QWMLDSQBENBANU-ROUUACIJSA-N 444.561 1.760 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n(C)n1 1725868766 HKHGEYKPIWDSJS-JOCHJYFZSA-N 434.504 1.521 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)c1cccc(O)c1 1726402505 FOJIALFKHIQMGY-UHFFFAOYSA-N 446.515 1.706 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1740542697 BFGPOHRWQVTEHV-HNNXBMFYSA-N 439.501 1.382 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1740628247 WUVCFIOYPGHZFY-DNVCBOLYSA-N 426.608 1.361 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCn2cc(Br)cn2)CC1 1740695991 IVIUROGTUZVPPD-INIZCTEOSA-N 448.369 1.587 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1740752290 VIYPVNLMURAYGT-QAETUUGQSA-N 441.598 1.873 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1740994230 KWTYHQDAKISQLK-UHFFFAOYSA-N 447.609 1.672 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740995155 BQUGVTMNHIAAJO-HZPDHXFCSA-N 436.538 1.806 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1743196851 DXBBSRSNMODJTR-LBPRGKRZSA-N 435.410 1.162 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1745171975 GPPGPISFARFRPB-IVZQSRNASA-N 437.504 1.472 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCc2ccco2)CCOC1 1746685356 NQZCEDOZGQYFLW-JOCHJYFZSA-N 442.520 1.970 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1747193142 QIJCLZGOILFVAW-IBGZPJMESA-N 437.548 1.928 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccnc(N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 1748805259 PTKSCDSNCBMYBW-IBGZPJMESA-N 428.562 1.647 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(C)(C)O)c2)CC1 1748994202 CVSAXFJTAFCIKP-UHFFFAOYSA-N 436.560 1.431 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1749010547 SGWLKPHLRGGTMZ-PZJWPPBQSA-N 442.608 1.870 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(=O)(=O)CC 1749367034 PFPMOOJPXDALSC-HNNXBMFYSA-N 432.612 1.653 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1749426768 HFRASSTUUYPUHB-QGZVFWFLSA-N 425.555 1.360 30 10 IDEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCC1 1749597927 QMQMEOYOJUOMMT-UHFFFAOYSA-N 434.566 1.792 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1749670047 NWXMUTVHMYMJTN-GJZGRUSLSA-N 430.475 1.895 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749677136 OSVYVTGPRKVUEU-UHFFFAOYSA-N 428.459 1.428 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1750564179 ADHKBINFULMKHQ-QGZVFWFLSA-N 444.561 1.460 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1751006024 BYONLIMPIOGEMV-FOIQADDNSA-N 430.513 1.210 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1760157217 IMDSQFSXQWNAHI-OAQYLSRUSA-N 449.603 1.758 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1F 1760205567 DXMLCRVVTRSMBI-IRXDYDNUSA-N 430.505 1.860 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760205897 MHUOQWOYTOAAPM-JQVVWYNYSA-N 431.606 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1760221718 HSWHBWJBJJJCPP-UHFFFAOYSA-N 438.557 1.683 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1760272179 BCOHDDQPQXFSSG-UHFFFAOYSA-N 427.534 1.254 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760281718 QHDUKWHQQZJLID-INIZCTEOSA-N 426.608 1.942 30 10 IDEE C#CCSCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1760286902 YUBGLVWTMFOGIZ-NRFANRHFSA-N 443.577 1.413 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760360658 JELLLZHEYCEWNC-DLBZAZTESA-N 427.571 1.488 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760522128 MEWDFDROCMYDSB-UHFFFAOYSA-N 440.614 1.419 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1760655857 OUHBIUGEBCGKOU-IBGZPJMESA-N 426.521 1.568 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1767946091 VTYTZGGGHUFEBD-SFHVURJKSA-N 426.477 1.511 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1768463880 ATRQKJRXHAJJLO-UHFFFAOYSA-N 436.564 1.123 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)CCO1 1769490965 HPXLMKVVIZNOBO-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1769586321 GSNKRGVPDRHMMJ-QGZVFWFLSA-N 436.520 1.824 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOCCc2ccccc2)CCO1 1770752157 RVUHQMJOFLWCSA-HXUWFJFHSA-N 438.532 1.779 30 10 IDEE COCCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1771260995 QAHUGJIQGSORCK-IEZWGBDMSA-N 431.493 1.757 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1 1853275876 PKVGWGYGEQMEMP-AWEZNQCLSA-N 439.582 1.568 30 10 IDEE N#CC1CCN([C@H]2CCCCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2=O)CC1 1855610358 XNHSPXWIPWTVCM-IBGZPJMESA-N 436.578 1.334 30 10 IDEE COc1ccc(S(=O)(=O)OCCOCCN2C(=O)c3ccccc3C2=O)cc1OC 1860406124 KRMIHXQXZAERNP-UHFFFAOYSA-N 435.454 1.722 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1867437091 ASHQAFFSLWRKET-PMACEKPBSA-N 448.479 1.471 30 10 IDEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868794749 FZYIVQHWWHOSAS-RTBURBONSA-N 445.589 1.610 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874434270 WOXSHQOOAQBJEP-KPSZGOFPSA-N 427.870 1.429 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[C@H](C#N)C1 2022831991 ZMYHWEKMQYZIFI-OAGGEKHMSA-N 438.525 1.576 30 10 IDEE NCC#Cc1cc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ccc1F 2145992312 WMKOGTJCULNAIS-UHFFFAOYSA-N 429.473 1.954 30 10 IDEE NCC#Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(F)c1F 2239859979 IJHZQMCFEPRDGO-UHFFFAOYSA-N 433.436 1.703 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255692703 DBFWKAOPFVUQLM-CHWSQXEVSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255699014 MRJOXIGDQIGSEJ-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE Cn1nc(C(=O)N2CC(CCNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255840881 SYEWSZNDABJNTF-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC1(C)OB(C#CC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)OC1(C)C 2255857002 DDLBDKOLCKGPIM-XQLPTFJDSA-N 426.244 1.879 30 10 IDEE CC(C)(C)OC(=O)NCCONC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256017831 JBHZCVAOLXFEIG-UHFFFAOYSA-N 438.286 1.583 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256064905 VIROUMFZRQIJGC-CQSZACIVSA-N 432.330 1.905 30 10 IDEE Cc1cc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)oc1B1OC(C)(C)C(C)(C)O1 2267120659 NMMMUHQVGLQXPX-UHFFFAOYSA-N 449.313 1.092 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267163551 IKXHFASXNYSLTH-OAHLLOKOSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267535918 DMKGDSIOOSEZTN-CWRNSKLLSA-N 444.341 1.761 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2267604729 IIGSKADXDNDIEN-GOSISDBHSA-N 438.337 1.407 30 10 IDEE C[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282842910 FJEQIDZTCCRCQM-UXMMLNGASA-N 439.817 1.842 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334272613 AOFMSYMBISDZLB-HZSPNIEDSA-N 447.345 1.100 30 10 IDEE C#CCN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@H]1CCS(=O)(=O)C1 321070811 PNJRAATWYUGKDZ-NSHDSACASA-N 448.238 1.462 30 10 IDEE CCN1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)cc2)CC1 427774529 DBYHRHPCZCYLIE-UHFFFAOYSA-N 427.530 1.769 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 460558758 YGRAUSZGWQGUQA-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE CCOC(=O)COc1ccc(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 466356698 QQMNAQQZKFRRBR-UHFFFAOYSA-N 437.500 1.969 30 10 IDEE N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 471633365 FRRSEGRNBLDHGT-KRWDZBQOSA-N 444.538 1.639 30 10 IDEE CC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@]2(CCOC2)O1 478413035 BUFRJVDBGDIVCK-JOCHJYFZSA-N 447.557 1.755 30 10 IDEE COc1cnccc1N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 478459749 NYUOPDWIWBVNMU-GOSISDBHSA-N 448.483 1.516 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2CCN(C3CCCC3)CC2)CC1 483988957 UCPCRCRZRPIGOM-UHFFFAOYSA-N 445.589 1.981 30 10 IDEE CN(C)S(=O)(=O)c1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 486391266 YAASKRBGAMKIMI-UHFFFAOYSA-N 432.481 1.697 30 10 IDEE CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCN(C(=O)CC#N)CC1 503629122 OTNKGOKXLBRQKE-LJQANCHMSA-N 439.541 1.671 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 517511246 UIOHFUMQSFJTPV-UHFFFAOYSA-N 448.589 1.167 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 520983285 GQYZSTQLEMRZBM-UHFFFAOYSA-N 437.447 1.157 30 10 IDEE CCn1c(=O)c(=O)n(Cc2ccc(OC)c(C#N)c2)c2cc(S(=O)(=O)N(C)C)ccc21 533331114 ZVHAIGGYQUVHCJ-UHFFFAOYSA-N 442.497 1.362 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(F)c1 534312497 UDOVOVWVPPVKBR-ROUUACIJSA-N 428.489 1.575 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(N4CCOCC4)c3)C2=O)cc1 541874912 DOIOEYFWGGBIPQ-NRFANRHFSA-N 447.495 1.645 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H](c3cccc(F)c3)N3CCOCC3)CC2)n1 546173393 QOFHDLSVKARYAM-NRFANRHFSA-N 438.507 1.997 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 603787201 SYMLWRFTQQFIML-UHFFFAOYSA-N 438.484 1.089 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)nc1 608967563 BFEQAHJDQLHHBK-FUHIMQAGSA-N 428.562 1.764 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 611552219 SCAVZEIEMXACFX-VXKWHMMOSA-N 431.556 1.481 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)c(Cl)c1 618200732 JHGASROKHGOZSD-UHFFFAOYSA-N 425.942 1.469 30 10 IDEE COc1cc(OC)c(OC)cc1CNC(=O)CN1CCN(c2ncccc2C#N)CC1 619510210 CWGGUSHJBNIIGO-UHFFFAOYSA-N 425.489 1.417 30 10 IDEE CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 727324713 KKPNCVWXLCAYCG-UHFFFAOYSA-N 449.485 1.170 30 10 IDEE C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cn1 729031142 WNCSUPDIRULFAT-GDNBJRDFSA-N 439.493 1.365 30 10 IDEE CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC 730318280 RXTYQUSPVCWFHM-INIZCTEOSA-N 436.534 1.806 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 731886996 GBKVRMNXOCINGX-XUTLUUPISA-N 436.468 1.872 30 10 IDEE Cc1ccc(S(=O)(=O)NCCCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1C 732155433 AYYFQSLLXFEFTB-VXPUYCOJSA-N 434.518 1.005 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2nccc3ccccc23)c(=O)n1C[C@@H]1CCCO1 740853381 QBNSKHWJQUBICT-KRWDZBQOSA-N 446.532 1.442 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(C)Cc2ccco2)c1 748526188 GIFCCUMJNXDJCK-GOSISDBHSA-N 447.538 1.365 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1-c1ccccc1C#N 752191832 XUDLCQJJKIAUFV-UHFFFAOYSA-N 447.545 1.595 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCOC2)CC1 752841951 ULGXDTJRFNPRPQ-MRXNPFEDSA-N 445.955 1.454 30 10 IDEE CC(C)OCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 758050441 HJJCCYAHGAKGAE-GOSISDBHSA-N 431.562 1.983 30 10 IDEE COc1cc(OC)cc(N2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 758708257 DLNSIMWZLAWFAQ-QURGRASLSA-N 428.489 1.659 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1c[nH]cc(Br)c1=O 761026333 NBBCUTWBHCNRQH-UHFFFAOYSA-N 439.291 1.595 30 10 IDEE C=C(C)CN(CC)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 777291450 XBNZVFQNWYNKMU-APWZRJJASA-N 426.535 1.299 30 10 IDEE Cn1c(=O)c2ccccc2n2c(COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)nnc12 780175848 KDMLVQMJOXQPNK-NRFANRHFSA-N 425.445 1.886 30 10 IDEE N#CCOc1ccc(Cl)cc1COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 786995848 JXVRQPUTDRXAIU-LJQANCHMSA-N 435.908 1.999 30 10 IDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 793507129 BNFNVWUJHKUTGI-HRAATJIYSA-N 428.489 1.599 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(CC(=O)N(C)C)c2=O)cn1 794612247 OQLPIVBZLFPCGW-UHFFFAOYSA-N 443.573 1.113 30 10 IDEE C[C@@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 799858751 DLDZPWACNPPTBQ-HOCLYGCPSA-N 437.541 1.160 30 10 IDEE Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cccc1N1C(=O)N[C@H](C)C1=O 808440492 OPEZFRRFKXCTNH-GFCCVEGCSA-N 441.469 1.117 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 809890123 UFZFDFUHLHODOY-MRXNPFEDSA-N 434.541 1.735 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCc2nccs2)C1=O 809943640 KXBCHZIPTDQIFP-AWEZNQCLSA-N 431.543 1.942 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 916775690 GLDJABYGKJMXER-LJQANCHMSA-N 425.510 1.986 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1O 1084205646 TVXHEHNJEHPPFW-UHFFFAOYSA-N 445.480 1.700 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)C3CC4(C3)CS(=O)(=O)C4)c(C#N)c2N)cc1 1137136957 GTTTZRVAMWAUFQ-UHFFFAOYSA-N 427.530 1.508 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(I)c1N 1137537870 YTGONIPXKPDZJV-LLVKDONJSA-N 448.268 1.886 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C/C=C\c2ccc(Br)cc2)CC1 1175514710 FMJVHTYJMGDKEC-ARJAWSKDSA-N 426.336 1.464 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3cc(C(=O)OC)sc23)CC1 1205701359 BGIQQPHTNDPDNG-UHFFFAOYSA-N 436.515 1.305 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CC1 1213773797 SSSZHXGIIDOCPD-UHFFFAOYSA-N 444.351 1.731 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1ccc(C#N)c(OC)c1)CCS2(=O)=O 1248505025 CQNAFLXVRHHGKB-LFDOHDQPSA-N 435.502 1.265 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1251528253 IMYACRRAHHSRGJ-UHFFFAOYSA-N 443.573 1.514 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)CCS(=O)(=O)c2cccc(Br)c2)C1=O 1270494137 VZBKCKXDBHNPMU-HNNXBMFYSA-N 429.336 1.858 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286387598 SRBWIIFBKVNZBL-QZTJIDSGSA-N 441.557 1.487 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2nsnc2c1)[C@H]1CCS(=O)(=O)C1 1286397638 UACNWGUHDWSHCY-HNNXBMFYSA-N 446.558 1.494 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCC1 1286425277 XMGLWILHZHINHC-UHFFFAOYSA-N 429.532 1.870 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCOCC2)c1 1286433674 ZBLAOMUSHJIEJP-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(O)c2)n1 1286471394 MJLSAJVKYFMELY-FQEVSTJZSA-N 449.515 1.466 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@@H]1OC 1286718473 KXNJTAGENQYGMI-HKUYNNGSSA-N 449.577 1.869 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1286820945 WIBUGHPBTZNFAN-UHFFFAOYSA-N 425.599 1.772 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286824154 VLZGVAYMSQVAPB-SFHVURJKSA-N 435.642 1.552 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1288014516 MDVOIRRSXLFLFR-UHFFFAOYSA-N 447.499 1.631 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccc(C(F)F)n2)n1 1290646197 GRQJSCOAIGXRCU-AWEZNQCLSA-N 429.435 1.644 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 1293291949 YCIODCJAOVQBPY-JGNKQBHLSA-N 431.514 1.969 30 10 IDEE CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1296132262 AFGDTBWTZIVYBZ-XXBNENTESA-N 442.612 1.557 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)CC1 1297520191 PCNHGSRVXMKEEZ-BJKOFHAPSA-N 445.567 1.191 30 10 IDEE COC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1299487309 RJLSYFDHGZPYHL-CYBMUJFWSA-N 446.533 1.140 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2c(F)cccc2F)CC1 1299871012 DHIRFFXRANKQLK-CQSZACIVSA-N 434.468 1.852 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCC(=O)NC 1300391270 LIJXZUGASNUOQG-UHFFFAOYSA-N 432.550 1.181 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCCC1 1300430295 LAJXYINCDRHJMY-GOSISDBHSA-N 444.605 1.992 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300538283 OPZGBHDMIFLMHO-KRWDZBQOSA-N 429.521 1.362 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1300882570 VSHZQPUAIMKXBL-CRAIPNDOSA-N 432.550 1.730 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1300891453 LABQWNWHPDFRML-PGRDOPGGSA-N 444.580 1.829 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1)C1CC1 1301314285 RTWLFMJNHOBUKM-NVXWUHKLSA-N 448.597 1.446 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1301497617 YWFQTYISPFQJHN-KRWDZBQOSA-N 448.531 1.395 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCC2CC2)C1 1301578802 JERHPTJKDIKPPY-QGZVFWFLSA-N 432.550 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CCCO)CC1 1301588527 GLEGLFQQYUVCIX-GOSISDBHSA-N 426.583 1.762 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301589627 UYWRVANNQPSJSP-ZACQAIPSSA-N 428.555 1.361 30 10 IDEE CCOC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1314427837 GJFZNNIANNWBJX-SZLLDUCCSA-N 444.536 1.909 30 10 IDEE COCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316004258 IRZSMEONWFOQMJ-QGZVFWFLSA-N 425.493 1.581 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)OC 1316205406 OMAMDHJIAXKZNE-SJORKVTESA-N 429.525 1.630 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1358913234 JATYUPNPGACLQM-MRXNPFEDSA-N 425.555 1.030 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358924726 GUKDXHLZVQRLFE-NRFANRHFSA-N 431.544 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1358995600 XWYOXHOZSRTKQR-NRFANRHFSA-N 448.495 1.160 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnn(C)n1 1359018208 HWZRBJAGJKEHAD-LPHOPBHVSA-N 440.483 1.353 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@@H]2C)CC1 1359037739 VJWCXFOONHAKLD-KRWDZBQOSA-N 429.594 1.110 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359048484 RXFQSDYPSYDSBB-QGZVFWFLSA-N 431.566 1.193 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1359070621 QEYBTQGVRMMNKY-LVCYWYKZSA-N 435.594 1.141 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359137023 BRZDNWXEJHCCDJ-MUGJNUQGSA-N 436.553 1.979 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1359281332 VYCGIRXRYKAFMM-UHFFFAOYSA-N 439.520 1.309 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1359299923 PRXREDDMYVWXKN-MRXNPFEDSA-N 447.609 1.478 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@H]1C 1359300800 KJBNJBJGCWFOJW-NVXWUHKLSA-N 429.546 1.606 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)CC=C)C1 1359319326 XIUBVYVBVKPBTP-HNNXBMFYSA-N 449.533 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359334856 SMMTVYFJUZMXHU-OALUTQOASA-N 447.609 1.413 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359605063 QPNVWHCBOIFTSD-QHCPKHFHSA-N 440.548 1.801 30 10 IDEE CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435488982 BOVOPTVUUNRAOK-BLLLJJGKSA-N 427.935 1.511 30 10 IDEE C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439794823 IWGCJUURUHUKAG-NPPFBWRTSA-N 431.558 1.950 30 10 IDEE CN(CCOCCN(C)C(=O)OC(C)(C)C)CCS(=O)(=O)c1ccc(C#N)cn1 1460455633 ZMPBJUMIHWJYRZ-UHFFFAOYSA-N 426.539 1.542 30 10 IDEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)O1 1466486944 VRCSWTVMXOSVLS-RDJZCZTQSA-N 435.322 1.509 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3c(Br)cnc3C2)s1 1466878724 WETOPPAZHFHBFS-UHFFFAOYSA-N 445.364 1.756 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1470298006 PCRXQXVOPCHZRR-AYOQOUSVSA-N 435.521 1.710 30 10 IDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCC1 1502397449 CULOXUAKXAAGCB-UHFFFAOYSA-N 442.545 1.358 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@@H]1C 1505081938 QUVGLJDCXIEOLC-IHPCNDPISA-N 432.569 1.853 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1507657195 ONCZJOBEIBYPOS-NRFANRHFSA-N 447.539 1.998 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC(=O)NCC(F)(F)F 1507708010 BOVNZJNMCBXDDW-UHFFFAOYSA-N 425.411 1.718 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCSC2)n1 1507715657 AYDONLJXNSIRSO-LAUBAEHRSA-N 446.577 1.133 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(COC)CCC2)CC1 1507733461 ZLCKHKXAICGYPU-PMACEKPBSA-N 431.581 1.964 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1507831948 IPSMDOYZQMKRHC-RBUKOAKNSA-N 434.585 1.411 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1508079332 QWKLFKSHXXXWNR-JOCHJYFZSA-N 443.504 1.260 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1521308948 BYVGTMRSSBFQTN-NSHDSACASA-N 448.273 1.739 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)CCS2(=O)=O 1537447967 MZDCYIZBYPBKKW-ZGOJQLDESA-N 434.514 1.731 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1539013821 JYWZPVIDRKPIDB-JKSUJKDBSA-N 436.559 1.112 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1539225818 QFFDOEQBRAFEQO-QGZVFWFLSA-N 435.500 1.936 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)c2ccccc2)CC1 1539443986 DMVALCSWCQWKRL-UHFFFAOYSA-N 436.541 1.569 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](c2ccccc2)N2CCOCC2)s1 1540685973 GCRGWLPLAXZISY-LJQANCHMSA-N 449.598 1.945 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccn2)CC1 1540902541 LQUHFVBFGGQBCL-SFHVURJKSA-N 446.577 1.842 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1542348375 DWGCKWNZEOJMLJ-ZIAGYGMSSA-N 425.482 1.126 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)c1 1543311063 GSCYPENEFHBCCC-UHFFFAOYSA-N 447.538 1.243 30 10 IDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1543471357 WLQRSNCIQGVKDB-OAHLLOKOSA-N 426.491 1.012 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCc2ccccc2)CCOC1 1547919425 NWZYADSGNDPQER-SIKLNZKXSA-N 427.505 1.876 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1OC 1554869199 RJJXTBUWNYJCLQ-BTYIYWSLSA-N 426.477 1.169 30 10 IDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCN1S(C)(=O)=O 1555039616 DENIMYLVOGBBIK-HZPDHXFCSA-N 432.550 1.974 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1555404399 FPTXMCFNQJFYRN-DENIHFKCSA-N 443.504 1.386 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)c1cc[nH]n1 1558533512 DPPGUZDVWPRUAC-UHFFFAOYSA-N 442.398 1.842 30 10 IDEE COC[C@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@@H]1CCCOC1 1565361475 SSPJKLWGLCZMRT-UZLBHIALSA-N 426.521 2.000 30 10 IDEE Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1566153621 FVWWHLHWGZQYTM-KXBFYZLASA-N 438.337 1.952 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)cc1 1583767877 WBUHBOBGMRQIMJ-OAQYLSRUSA-N 437.521 1.444 30 10 IDEE C[C@H]1CN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)CO1 1584189167 BDQUBIXPUSBRPJ-IRXDYDNUSA-N 434.562 1.184 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C(CC)CC)N1CCOCC1 1587663054 TYWFPZMNQZMPQB-ICSRJNTNSA-N 430.597 1.995 30 10 IDEE C#CCN(c1nnc(C)n1CC1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1588035000 OGAOJQWILNKAHT-FQEVSTJZSA-N 428.562 1.525 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588064866 QJMIAJPIYASSGD-RTBURBONSA-N 429.546 1.317 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1588149378 PWIRRNQIGVLNMV-UHFFFAOYSA-N 434.525 1.315 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1588806081 FUVHCISACGSFIM-VQIMIIECSA-N 426.496 1.591 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1589110587 XIWKOUHBEMLIBA-UHFFFAOYSA-N 441.605 1.955 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C(C)=O)CC1 1589651728 FZPSFFCXBQZMQT-UHFFFAOYSA-N 443.552 1.572 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1593712161 UDKIUFRXRREZQR-KRWDZBQOSA-N 427.465 1.660 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1593735396 FMWGQLSPKKXNEJ-AWEZNQCLSA-N 439.442 1.833 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594023565 KPEKHCNZEVEVRQ-VQTJNVASSA-N 440.566 1.025 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1594857674 NYZDOYFVMMGTTJ-INIZCTEOSA-N 433.582 1.944 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595536527 CSHWHVHBXAQXOD-JOCHJYFZSA-N 435.488 1.604 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1595570189 ZRUFRACZFDLXMP-INIZCTEOSA-N 426.521 1.909 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cncn2)C1 1595799087 XDTGPZJXPUGZII-DLBZAZTESA-N 435.554 1.554 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1596799450 PDBTZMHFHDKFCG-VLIAUNLRSA-N 430.534 1.423 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2)nc1 1596984616 NLNAAIXUVWBXHJ-INIZCTEOSA-N 434.431 1.857 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1615775368 JNKUARHBQXKXHD-BERAEFEQSA-N 443.552 1.575 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1620356010 QLGGMRYHOXXJDZ-ZACQAIPSSA-N 440.495 1.604 30 10 IDEE C#CCN(CC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1)C(=O)OC(C)(C)C 1624315622 CMEIJWYJRPECDE-UHFFFAOYSA-N 437.518 1.055 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1627412156 CGDHHXVLMWYSPL-BQYQJAHWSA-N 440.500 1.205 30 10 IDEE C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@H]2CCN(O)C2=O)C[C@@H](C)O1 1628370033 IRNHPRDTHZBUQH-IOASZLSFSA-N 431.518 1.442 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)s1 1630613149 JCRCLJLEYCYZAR-MRXNPFEDSA-N 434.499 1.274 30 10 IDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1630721815 QCMHCXUOORCKPZ-IBGZPJMESA-N 426.498 1.192 30 10 IDEE COC(=O)[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c2ccc(F)cc2O1 1631839053 MCJUTOZGVMLOPU-MRXNPFEDSA-N 447.444 1.222 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CCN(c3ccccc3C#N)CC2)C1 1631984206 BRSSRSVAFFCOBI-UHFFFAOYSA-N 437.504 1.904 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCN(C2CCOCC2)CC1 1632600350 OSONOLNXSGVFFM-MRXNPFEDSA-N 434.562 1.232 30 10 IDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)C(F)(F)c2ccccc2C#N)C1=O 1634685635 JASXJEKSISPEBY-UHFFFAOYSA-N 441.394 1.782 30 10 IDEE CON(C)C[C@H](O)Cn1cc(NC(=O)COc2cccc(Br)c2C#N)cn1 1636425720 XPYBMAGWQIVMQT-ZDUSSCGKSA-N 438.282 1.389 30 10 IDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 1638463309 LGIYOQMRBIOHOE-KRWDZBQOSA-N 440.930 1.513 30 10 IDEE Cn1c(=O)[nH]c(N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)c(C#N)c1=O 1642348294 SOHWOVSADLGNQB-QGZVFWFLSA-N 446.435 1.828 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1643543349 OPPHXUKIBLIANI-YCRPNKLZSA-N 428.526 1.778 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1644942900 KUZRFUCSQBYDQD-SFHVURJKSA-N 437.562 1.145 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(S(C)(=O)=O)nc3)ccc2c1=O 1645248428 YRJKRZOFLRGOSG-UHFFFAOYSA-N 430.511 1.600 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1Br 1645711548 GFTBPYFZDGCNEO-UHFFFAOYSA-N 428.294 1.928 30 10 IDEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CCOCC1 1645986909 OLKURSCBRIDKHL-OWSLCNJRSA-N 440.562 1.201 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2oc3ccccc3c2Br)CC1 1655706935 KZWJSPDBPLYFSZ-UHFFFAOYSA-N 440.319 1.251 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCC1 1663381081 GYCHEJVQCFBUHK-KRWDZBQOSA-N 432.543 1.072 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1668220360 QHIWZJKWGYYEDJ-IBGZPJMESA-N 428.576 1.620 30 10 IDEE C=CCn1cc2ccc(NC(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)cc2n1 1674577237 XULAPLJKDLMNLJ-GOSISDBHSA-N 433.534 1.881 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1689852141 BCZINKYQDZYCED-DOTOQJQBSA-N 446.552 1.571 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1689984361 OEEYRIXZRCIIHU-KRWDZBQOSA-N 448.545 1.626 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCC1 1690056547 XECCQBYLZZUATR-FPOVZHCZSA-N 427.549 1.868 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1690668683 FCUHQOSYBXHKNQ-LJQANCHMSA-N 443.552 1.535 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1691171825 CZIHWZXCWUXRIY-UHFFFAOYSA-N 439.520 1.307 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1691439885 UDIZCEDDZGFEKK-IBGZPJMESA-N 433.520 1.849 30 10 IDEE CCCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1695434670 HADWIPQZZINPMI-HNNXBMFYSA-N 427.557 1.558 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1696676023 GAYYJMKEXIGHEI-UHFFFAOYSA-N 438.517 1.279 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705479717 KZHANADQNGAKQC-BTYIYWSLSA-N 440.529 1.343 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705499991 CYDCWJNEUMLHOL-UYAOXDASSA-N 440.596 1.540 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(C)S(=O)(=O)CC 1705548861 XFJPPIXWUISDGN-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1705567149 VCHQEMMBVJGWJO-UTKZUKDTSA-N 429.546 1.844 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)CC(F)(F)F)CC1 1705632444 QJCZCBXNDBKEEZ-UHFFFAOYSA-N 441.502 1.154 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)CC)CC1 1705634777 IVVKTRGZHQTSTF-LJQANCHMSA-N 435.370 1.962 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705652834 PCVGFHCLWQVBOR-KRWDZBQOSA-N 432.594 1.574 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1705853849 GGZTYVHBUANSBW-QGZVFWFLSA-N 436.626 1.361 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1705906856 QUANQCCIYMMNMO-QGZVFWFLSA-N 437.504 1.123 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCCOC2)C1 1705938408 XKOGOUCRISWKPE-NRFANRHFSA-N 448.593 1.747 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1705940003 SGNSFNGPWBNQKG-OAHLLOKOSA-N 428.628 1.482 30 10 IDEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1)C1CC1 1710147978 AURDCQOVZIMYJZ-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722372167 QPGFRWNTQDUCPI-HGHGUNKESA-N 436.578 1.177 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2c(CC)nn(C)c2OC)CC1 1722439476 DDDDSOFHYNBIOH-UHFFFAOYSA-N 434.548 1.372 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccs1 1722671712 BUCZLJAUHMQDCZ-OAHLLOKOSA-N 438.579 1.489 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1722682202 YDCIFPBMWHCWDY-IRXDYDNUSA-N 434.566 1.278 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722713576 HVWNTZIFATUUMR-UAYHFDEJSA-N 442.520 1.827 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1728266463 SWGWHLRKHNJBAK-VSOVRNOCSA-N 438.532 1.804 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1728293344 HSPJCQPKXVDCJL-SFHVURJKSA-N 442.545 1.356 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1728794075 DYKMMZJYWNXFBM-SFTDATJTSA-N 443.483 1.774 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(N(C)C)cc2)CCOC1 1728819937 XXIDTDDIPMSCSK-REWPJTCUSA-N 440.548 1.968 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCCS1(=O)=O 1730928748 AHJOBYAXKQOMJS-QZWWFDLISA-N 425.555 1.708 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)C)c1 1740562165 IRWWBCQDAGDLJU-QGZVFWFLSA-N 437.548 1.520 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740589991 HNPQIGHIQUGEOP-CEMLEFRQSA-N 442.608 1.964 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1740628150 OEFSVQZKKXQMQK-INIZCTEOSA-N 437.591 1.757 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C(C)C)C(C)C)CC1 1740693403 XNUHNMNRAXZNJF-HSZRJFAPSA-N 432.613 1.804 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)(F)F)CC1 1740693942 RORPQXRKTYOFHO-UHFFFAOYSA-N 436.438 1.387 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1740710361 YGDWSJLIMFNJIB-DOTOQJQBSA-N 441.623 1.508 30 10 IDEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O)C1CC1 1740909783 ZMBWLPVSVLETQU-UHFFFAOYSA-N 431.566 1.919 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)CCO1 1741104218 GJUMKDFLUJRJQC-NRFANRHFSA-N 438.532 1.975 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCOCC(F)F 1743241464 ZYCMTVCSTBJWJE-HUUCEWRRSA-N 448.478 1.440 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCCO1 1743244036 FORIMWWJPKKKEX-AEFFLSMTSA-N 444.561 1.713 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1748671661 MEKSYPLIFDUBJR-DZGCQCFKSA-N 447.952 1.577 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748824178 KOXMGLPXKWFVKV-KRWDZBQOSA-N 449.552 1.695 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(O)(CC)CC 1748831848 ZXEZFJZRXZYENQ-UHFFFAOYSA-N 443.573 1.819 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1748999091 HZNJCVBJKWNZRG-WMZHIEFXSA-N 425.533 1.461 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1749286785 RGOYUBIZVSJYHR-MSOLQXFVSA-N 440.614 1.402 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)CC1 1749342072 VEPJLYKXYVBBHI-FQEVSTJZSA-N 429.613 1.905 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCS(C)(=O)=O)C1 1749703086 BYZVDVBHMJNUHN-QGZVFWFLSA-N 448.545 1.932 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1750387091 RALPUJAUQZLLTF-JENIJYKNSA-N 442.495 1.384 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750916610 RLQDMYGREYUAPE-ZPHPHTNESA-N 429.525 1.569 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760163546 VWGAJUFFDYHJRA-LSDHHAIUSA-N 442.586 1.461 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760192425 ITAHCRLMGVDXRC-SLFFLAALSA-N 449.621 1.878 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOCC(C)C)CC1 1760256820 ULLRHTUTBOFAMR-UHFFFAOYSA-N 449.563 1.739 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](SC)C(C)(C)C)CC1 1760268598 MHFGAZMBQSIAFD-DLBZAZTESA-N 446.621 1.973 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OCC)CCOC1 1760349661 VIOMAFNTYSDUCZ-YWZLYKJASA-N 430.513 1.038 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1760513474 FOMKXMLQTRCNGP-UHFFFAOYSA-N 448.524 1.237 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760525801 RVNDABIZLWVQKK-GOSISDBHSA-N 442.589 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=CCC1 1760555793 NPQPXIZQRRKCFA-UHFFFAOYSA-N 443.577 1.819 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1Cc1ccc(C#N)o1 1761476380 MHIKZCZHXORUIJ-ILXRZTDVSA-N 433.538 1.074 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@]2(CCCOC2)O1 1763081387 GQKINFXDHBPHSS-HRAATJIYSA-N 445.545 1.636 30 10 IDEE CCCC(O)(CCC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1763889894 ASRQFVPBUNZCFP-HNNXBMFYSA-N 426.587 1.960 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1766959312 IVEPLZXHWPZYSY-RWNPKEDZSA-N 433.472 1.568 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1769409670 BVEHBDIMEBAEQD-YCRPNKLZSA-N 429.477 1.831 30 10 IDEE CSCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770570205 ADMTWQDPTKUIRY-QGZVFWFLSA-N 440.577 1.966 30 10 IDEE Cn1ccnc(N2CCC[C@@H](N(Cc3ccc(F)cc3)C(=O)c3cnc(C#N)nc3)C2)c1=O 1853489091 LCCPLVLNVHTCPJ-LJQANCHMSA-N 447.474 1.892 30 10 IDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 1854038291 RAWUDWBKUVLOEX-INIZCTEOSA-N 427.482 1.694 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C(=O)[C@@H]1C 1854314307 WZNUGIHWNJAPFP-IRXDYDNUSA-N 435.546 1.341 30 10 IDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC(F)(F)OC(F)(F)C3)ccc21 1854535978 YQUNPXGXIPQCBT-UHFFFAOYSA-N 435.355 1.613 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O)c1ccc(Br)cc1 1854642054 MPRUUSDVOFJMLY-NWDGAFQWSA-N 428.308 1.465 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)[C@H](C)C2=O)CC1=O 1856317869 LMMRHHVKRZRCNF-SJORKVTESA-N 433.530 1.086 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CCCOC2)CC1 1857364472 CBCJDNWGJJNQIW-INIZCTEOSA-N 431.514 1.843 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](C(=O)O)C(C)C)c(C(=O)OCC)c1C 1860761572 ZAEBSDCPMLEESU-LBPRGKRZSA-N 440.474 1.740 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCCO 1870548671 ACZQELDJDRVMPX-HXUWFJFHSA-N 433.549 1.421 30 10 IDEE C=CCn1c(C(=O)NCCc2ccc(F)cc2)cc2c(N(CCO)CCO)ncnc21 1873593570 DXPQWYZAPMBSGU-UHFFFAOYSA-N 427.480 1.520 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060625820 ORXAGNMABPTPSH-KBPBESRZSA-N 434.302 1.254 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCO)c1 2164496439 KOAWCNGXIDZNKK-NRFANRHFSA-N 430.457 1.797 30 10 IDEE C#CCN(CC(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2216452213 AWVBTSLLUYYQDZ-AOMKIAJQSA-N 439.553 1.981 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)C1 2247554968 WZWJWPNEQKRRFZ-YZEMWESSSA-N 437.537 1.780 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC(OCc4ccccc4)C3)c2)OC1(C)C 2247881986 IDSPRCJMGHIMLK-UHFFFAOYSA-N 430.335 1.971 30 10 IDEE C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247950702 DJNNKGPJZFKFKB-HNNXBMFYSA-N 435.355 1.291 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2255605951 PAEUCKNLDRIQTB-BETUJISGSA-N 435.334 1.147 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255624797 IKAZSODKMRBTLT-CQSZACIVSA-N 434.346 1.941 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255625279 PFRJNGDJDYRPFH-KBPBESRZSA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2255628980 PHCUDGUODPYYKL-AEGPPILISA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2255632008 HHFQDWMXZHTSQM-ZSOGYDGISA-N 432.330 1.552 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255636631 XBKMMUONQAEKRQ-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255650521 PYTQASBYOVEYOH-GJZGRUSLSA-N 436.314 1.943 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2255814658 BLMLUWVMTFMZPC-OKILXGFUSA-N 434.346 1.752 30 10 IDEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2255933401 OTFLVBLVSMLATH-HNNXBMFYSA-N 449.382 1.599 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256622245 FECXCJNMLJMUCD-CABCVRRESA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)(CO1)C2 2267138105 VUVMDEXRCRAUSA-UHFFFAOYSA-N 448.329 1.265 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C2CN(C(=O)OC(C)(C)C)C2)C1 2267595751 GOKRDYAWZOUHHK-UHFFFAOYSA-N 447.345 1.053 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(O)cc2O)C1 2267805518 KORPQZFTUSRAOQ-UHFFFAOYSA-N 448.325 1.994 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 15463202 DYFRHLJLIVXKGG-SFHVURJKSA-N 442.472 1.336 30 10 IDEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NCc1ccc(F)cc1 20292055 OUXRAYJEXIVVMO-LSHDLFTRSA-N 444.452 1.894 30 10 IDEE NS(=O)(=O)c1ccc(CCN/C(=N\c2ccccc2)S[C@H]2CC(=O)NC2=O)cc1 59489302 VXRDEANUFCTVDT-INIZCTEOSA-N 432.527 1.302 30 10 IDEE COC(=O)[C@@H](C)CN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)Cc1ccccc1 60333764 ZXNDRYAJEFKAKD-KRWDZBQOSA-N 439.516 1.815 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 480617493 RFFOIKDVLRLXNC-SFHVURJKSA-N 434.497 1.197 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 480939324 XFZMBBBSOJESOP-CQSZACIVSA-N 447.582 1.434 30 10 IDEE N#CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 487177452 PWGXPIKSLNGOOX-FQEVSTJZSA-N 440.525 1.972 30 10 IDEE C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 487772807 VMNOLDPFPKTBIJ-IEBWSBKVSA-N 444.580 1.229 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ccc1F 488913799 DRAUQYJBSFWBQS-UHFFFAOYSA-N 445.444 1.671 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)N4CCCCC4)CC3)CC2)o1 507656597 CMZDGKLQVYHTQW-UHFFFAOYSA-N 428.537 1.228 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cc(OC)ccc2OC)CC1 508936283 QMSSXYFHGZAGHL-FQEVSTJZSA-N 429.521 1.891 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 512423973 MFQKAJVUQRQSAC-IFMALSPDSA-N 427.593 1.917 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1 526939042 GPULIAIVQHLMNG-JOCHJYFZSA-N 440.544 1.641 30 10 IDEE C=CC[C@H](CO)NC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 543833974 HOUYZBHXNBBLNR-MRXNPFEDSA-N 441.550 1.341 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2C[C@@H]2CCOC2)cc1 549594759 QYYFZABKGNIIQL-AVRDEDQJSA-N 425.489 1.761 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCCO3)CC2)n1 571451813 AZACIFOBJRVLLY-RTBURBONSA-N 439.520 1.528 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)cc2)c(=O)n1C[C@H]1CCCO1 590914014 MHCHMRVNWIDGKE-GOSISDBHSA-N 441.553 1.517 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C 603799345 LQIALHWYNYJSKG-UHFFFAOYSA-N 437.496 1.612 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCN1C1CC1 732677209 SHSFPTRVNCRLKZ-LJQANCHMSA-N 431.562 1.743 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2nccn2Cc2ccccc2)CC1 734750701 DKDQIHQGUGDCKW-UHFFFAOYSA-N 439.545 1.709 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CCCCC1 760404038 DYBJOUCIDGCMPC-HNNXBMFYSA-N 447.513 1.731 30 10 IDEE COC(=O)C(C)(C)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 766164780 ZCOQBAZSEDCAJV-SFHVURJKSA-N 429.498 1.782 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 769611618 BATZUPSYPVDYMQ-LTFJSZEESA-N 425.407 1.889 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CC(C)C 772899778 YKBXPHBGOCFJJN-UHFFFAOYSA-N 436.537 1.380 30 10 IDEE C#CCN(C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 774047273 FRDPAPKJAROHNV-CQSZACIVSA-N 429.495 1.020 30 10 IDEE C#CCN1CCC(C(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)C2CCN(CC#C)CC2)CC1 775785024 XBNMYJWKDCUEHO-ZEQRLZLVSA-N 440.632 1.905 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NS(=O)(=O)CC(C)(C)C#N)c1 776144946 YBWGKTMATSNWAK-UHFFFAOYSA-N 442.563 1.146 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 780205052 KCXUNHVTXJXWMH-HXUWFJFHSA-N 446.481 1.235 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCc2cccnc2OC)C1=O 809943373 DFGNLSVKQYLYAU-OAHLLOKOSA-N 429.502 1.804 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2nccc3sccc23)CC1 812037904 ANYUSMOJTYUZRS-HTXNQAPBSA-N 426.502 1.654 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 812190091 QEPSZRJTOMLUEI-CVEARBPZSA-N 434.541 1.830 30 10 IDEE C#C[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 812526382 ITQUFSCTVBHQOF-GOSISDBHSA-N 428.482 1.879 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)Cn2c(O)nc3ccccc3c2=O)CC1 915404989 JJIKPGKBQKMWJI-HVPFBLEYSA-N 426.473 1.965 30 10 IDEE C[C@@H](C(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1)n1cnc(C#N)n1 1133558282 MIIYWUODKWXJKT-SZMVWBNQSA-N 443.552 1.785 30 10 IDEE CC(C)(C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccc(C#N)cc1 1138394749 DTAWCPDAVGISPP-UHFFFAOYSA-N 432.468 1.813 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1162475420 VPDXTMLMRXFQFF-JXFKEZNVSA-N 432.546 1.776 30 10 IDEE C#CC[C@]1(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 1184103333 MSYBVGOGSXMLMU-HSZRJFAPSA-N 448.564 1.812 30 10 IDEE COC(OC)C(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 1195978811 PTAMLYCJIACKGK-CQSZACIVSA-N 434.562 1.836 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@H](O)C1 1286400816 GXUGDEGEESFTIP-HKUYNNGSSA-N 426.542 1.973 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1286458048 IWDKJDOZIMZTBU-SFHVURJKSA-N 435.525 1.800 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC(F)(F)CO2)CC1 1286491313 MVPJBTVOHNMXBO-GOSISDBHSA-N 444.486 1.654 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1286492808 PYPVZQFOGODMMD-SFHVURJKSA-N 449.559 1.645 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286493883 HGPSCTNTPMAAAL-OAHLLOKOSA-N 427.596 1.186 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1286522050 GAGMUJMKHKBZRL-OXJNMPFZSA-N 433.578 1.479 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1286549072 CZRQYMKKNRXWTH-UZLBHIALSA-N 427.505 1.880 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCc2sccc2C1 1286773157 IXGVYDDYQMMRRD-QGZVFWFLSA-N 430.578 1.988 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1286773973 WJTZTAMENDFRMR-INIZCTEOSA-N 441.579 1.360 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1 1286785966 KZQKFNJGNQUDRM-DLBZAZTESA-N 444.923 1.763 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1286787303 RBEKNRAJEURVAQ-HNNXBMFYSA-N 442.524 1.483 30 10 IDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)COCCO1 1289053038 TYWIKEULSZDDAB-RXVVDRJESA-N 445.545 1.636 30 10 IDEE CCOCc1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1297116962 HAKPAYQERJMQGP-SFJAUFLASA-N 429.525 1.014 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2[C@@H]2C[C@H]2CF)c1 1298097730 RFQTXRIGVGKZTR-YQQAZPJKSA-N 434.497 1.455 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC1CC1 1298801761 PFBNYSFSJNEYMW-AWEZNQCLSA-N 448.325 1.301 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCC(OC)CC1 1300456185 XHEXLTUMCOYMBQ-UHFFFAOYSA-N 428.537 1.965 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300497058 XDFXNYQAGHHAQF-RBUKOAKNSA-N 433.578 1.061 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCCC)CC1 1300681476 QXRRIIRBHSZMMD-UHFFFAOYSA-N 425.537 1.404 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1300685161 IFLBZFWEBVFVGA-URXFXBBRSA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)CN(C)C)CC1 1300685637 RFTKKJDLHDGKER-QHCPKHFHSA-N 432.613 1.662 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1300754147 KFQTUOXTNIAQOE-IBGZPJMESA-N 427.622 1.866 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1300896143 ZHDCMNYIDXFKLT-NXWNEQKCSA-N 436.553 1.763 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1300989927 HIYPWNGWLFFPNL-QZTJIDSGSA-N 439.582 1.440 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301030088 ZYAOBRJIAGNCSU-UHFFFAOYSA-N 444.923 1.633 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C2CC2)CC1 1301086477 JMJAUNPDQUESGU-IAGOWNOFSA-N 425.555 1.192 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(N)=O)CCOCC2)CC1 1301108540 SJJGVIJLCDBRLD-UHFFFAOYSA-N 439.520 1.610 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1302993652 FVCLCZJUOLCJES-MRXNPFEDSA-N 432.431 1.479 30 10 IDEE CC1=C(C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1304039995 GKURVCNVGYOKCZ-MRCUWXFGSA-N 439.520 1.473 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2nc3c(s2)COCC3)ccc1F 1304161986 XFBFJKRPEYLDPY-UHFFFAOYSA-N 425.507 1.792 30 10 IDEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1313954031 MZNJMGJOJUZUTR-JOCHJYFZSA-N 448.575 1.963 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCc4oncc4C3)n2CC(=O)NCC(F)F)cc1 1316533971 KRZOACNQHVRFEJ-UHFFFAOYSA-N 443.414 1.661 30 10 IDEE N#CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1316534578 HIWPPHKDBKNXER-LJQANCHMSA-N 435.937 1.888 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1358891783 MJLSAFCUJKZRKO-KIUMHBGESA-N 439.582 1.813 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1358913141 GUJRIFDUMIQRNU-ROUUACIJSA-N 439.582 1.420 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(COCC)cc2)CC1 1359028026 DTDFXDYYPXJVMH-UHFFFAOYSA-N 436.560 1.854 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(C)=O)CC1 1359030976 LXPYFPYZDFWKAU-UHFFFAOYSA-N 434.342 1.317 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359048231 JLVIIUDCTSNIRM-NRFANRHFSA-N 443.577 1.366 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359061700 JZNZJLHITQVLQL-BBTUJRGHSA-N 438.594 1.925 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359126623 UOQYKFOCIGQCAT-UHFFFAOYSA-N 447.584 1.735 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(=O)(=O)CC 1359233043 OPKUDLQWCZVBEO-UHFFFAOYSA-N 440.595 1.604 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC2CC2)CC1 1359302148 XTYZYXCGATVDIJ-UHFFFAOYSA-N 430.503 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359336367 NICPVFCQRQBJDD-FGTMMUONSA-N 441.598 1.276 30 10 IDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1360959529 GCYPWWQJXYTEOJ-LBPRGKRZSA-N 431.547 1.894 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)o1 1361227022 FACZKYKZCDRPFI-ZBFHGGJFSA-N 440.426 1.838 30 10 IDEE COC[C@]1(CN(C)C)COCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1438824542 WDANBQZHMYHEIO-LAUBAEHRSA-N 426.558 1.769 30 10 IDEE Cc1nc(=NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n(-c2ccc(F)cc2C)[nH]1 1463055839 LZYPXLUDYGNWOL-UHFFFAOYSA-N 442.476 1.889 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)nnn2C 1464533871 UQCKEKQGDAWXEX-UHFFFAOYSA-N 433.534 1.992 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 1472400573 KGLXQDWUIYUUTK-PIIMJCKOSA-N 433.530 1.535 30 10 IDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NCCCN2CCCCCC2=O)C1=O 1472908344 XLUWQFMQGGDELT-QFIPXVFZSA-N 425.489 1.234 30 10 IDEE COCC1=CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1504651561 WXNUZVQBYGQVPX-DQRAZIAOSA-N 449.515 1.573 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCNC(=O)C2CCC2)c1 1505313773 GFXIQEDOKDVJNY-IBGZPJMESA-N 435.532 1.825 30 10 IDEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1507554523 SLJHCSZOKSRJAY-MRXNPFEDSA-N 428.924 1.977 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507936292 AMCWNGCDCUSJCL-UYAOXDASSA-N 443.596 1.469 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1507983677 WNTCHBOVLOCHMJ-SFHVURJKSA-N 428.537 1.998 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](COC)C1 1508079493 XMZQCVJCXFOWFG-INIZCTEOSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1508092534 QMUWQHXFDGJLMA-GOSISDBHSA-N 439.516 1.889 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1508734826 HCQXDAMLQIRRBR-MJGOQNOKSA-N 438.532 1.852 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCOC)CCOC1 1516215670 VCCNZEJKOOQRQV-JOCHJYFZSA-N 441.536 1.560 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1539239281 JGFITMQJPFVXCM-ZWKOTPCHSA-N 441.557 1.918 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[C@@H]2COCCO2)CC1 1539462486 VKSIQKYZVCPEHB-GOSISDBHSA-N 429.496 1.557 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1539499507 LQIKQSQMMIDKII-UHFFFAOYSA-N 447.586 1.384 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539743114 VQCXTGFMXLMQPO-UHFFFAOYSA-N 437.570 1.037 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539759515 ITQSGDGZQNTIHA-QGZVFWFLSA-N 427.571 1.630 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540870956 AOZIOPYCUBHLBZ-UHFFFAOYSA-N 425.537 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540906835 DATREMCLOAJQGD-GOSISDBHSA-N 435.594 1.813 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540916370 AQWYWKNVNWKFKS-KRWDZBQOSA-N 443.577 1.522 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cs1 1542926351 XIFKVOPLKXCPIO-HNNXBMFYSA-N 438.579 1.576 30 10 IDEE C=CC(C)(C)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1544668188 MMNFLRWFPIMWSJ-UHFFFAOYSA-N 434.562 1.855 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)CC1 1547698959 ALLAJCJAHYOKGW-LQWHRVPQSA-N 437.564 1.470 30 10 IDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1555231175 HUBVWUIXOHOKKX-HNNXBMFYSA-N 437.504 1.620 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1555686312 MUHTWOPPBJMWAU-MOPGFXCFSA-N 427.505 1.974 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@@H]1CCOC1 1555742566 IDPANXLDEMEWNF-NTLWEQJWSA-N 437.516 1.887 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 1557239695 FUFNVGYSTFDSEK-VXKWHMMOSA-N 439.560 1.309 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CN=S(C)(C)=O)CC1 1558459089 SJDIZQZVLQWGDQ-AWEZNQCLSA-N 426.564 1.191 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1564772866 SFLLBXYRULSIME-SJORKVTESA-N 437.541 1.330 30 10 IDEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)O1 1566990630 ZLPAEGHEKFARIS-HXSAITOGSA-N 434.537 1.525 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1587862096 SUYGLNVOZBQLTG-ROUUACIJSA-N 435.594 1.726 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](SC)C(C)(C)C)CC1 1588811781 MUTAQCUOJXDXFN-IAGOWNOFSA-N 439.651 1.713 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1595466178 FXJXHVXTKKFSER-UHFFFAOYSA-N 438.532 1.994 30 10 IDEE CC(C)([C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccc(F)c(F)c1)N1CCCC1 1611398250 SKUXXONZZKJXJZ-SFHVURJKSA-N 431.443 1.831 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(CCc4cnccn4)CC3)ccc2c1=O 1611628734 IAZFXJLFKKCGIU-UHFFFAOYSA-N 436.541 1.662 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC)C1 1617369123 JNOZJLWWMLRUIU-GOSISDBHSA-N 432.550 1.761 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cc[nH]n2)C1 1620346668 FPULNLSJLFCSRV-FQEVSTJZSA-N 444.421 1.742 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1623965467 WDLMHJXMFNCJHR-KRWDZBQOSA-N 437.541 1.560 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H](C)NC(=O)Cn3cnnn3)c2)c1 1624872725 HKYKSYVSNVOHLJ-HNNXBMFYSA-N 432.440 1.003 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1626167942 YLXJSRPOSZCNAU-UHFFFAOYSA-N 435.527 1.924 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 1627015495 SATBHQZHSOVYJY-INIZCTEOSA-N 447.333 1.159 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1627368148 MNPAYBMPLBOIJI-GOSISDBHSA-N 449.548 1.701 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)cc1 1627546342 MYUOYCDMVSVUFN-OAHLLOKOSA-N 432.424 1.750 30 10 IDEE N#Cc1cn(CCC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(=O)nc1O 1628940451 CYAYWGIBQGXMAY-UHFFFAOYSA-N 435.406 1.574 30 10 IDEE C=CCOC[C@H](NC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21)C(=O)OC 1634063441 KQKGZRVPBBUIQK-INIZCTEOSA-N 446.504 1.921 30 10 IDEE N#Cc1cn(CC(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(=O)nc1O 1638898104 DHNFPGCPWCAXMN-UHFFFAOYSA-N 449.389 1.260 30 10 IDEE Cc1ccc(OCCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Br)c1 1640636435 GDIHBQWIFIVSCN-UHFFFAOYSA-N 433.262 1.744 30 10 IDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)ccc21 1641890668 NUFXNORISGWFOE-GOSISDBHSA-N 448.483 1.462 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H]4OCCNC(=O)[C@H]43)C2)C1 1643301112 WNCVIFANXIETGD-FWKXQSBZSA-N 432.521 1.279 30 10 IDEE CS(=O)(=O)Nc1ccc(N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)cc1 1645178410 NMYALEHWBGJBAC-HXUWFJFHSA-N 430.530 1.492 30 10 IDEE C=CCCC[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1645502301 AXHYPCHFMBJFRH-SJFMBGHLSA-N 429.517 1.914 30 10 IDEE COc1ccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1646440210 ZUVVWYVLAJZLSE-LIRRHRJNSA-N 432.527 1.370 30 10 IDEE CS(=O)(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C(F)(F)F 1647745611 GIKKTXGZVCCSBD-HUUCEWRRSA-N 441.435 1.590 30 10 IDEE COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1654953930 CHSQWQAQYKKUFP-BRWVUGGUSA-N 444.532 1.212 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 1664311496 IUMWLARMXDWXIW-UHFFFAOYSA-N 439.603 1.627 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)CC1 1684480015 DLWOPGGDTOYQJK-UHFFFAOYSA-N 439.541 1.942 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CCN1CCN(C(C)=O)CC1 1689974951 DYOITISJWXDFGF-UHFFFAOYSA-N 440.548 1.489 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689992484 LFYNSKKWQBCFKG-GHTZIAJQSA-N 429.546 1.052 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1690003682 UTCLLVNQEGGSOQ-WIYYLYMNSA-N 434.562 1.359 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1690063688 MCWSOWDYGQALAD-GOSISDBHSA-N 429.546 2.000 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690470889 OBLQBAQTHSDPNR-LSDHHAIUSA-N 428.559 1.569 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1C1CC1 1690526853 FJXZYNIOAHBBHX-MSOLQXFVSA-N 438.598 1.250 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cc(CO)nn1 1690535550 BUFPCVIRFQPLNR-IYBDPMFKSA-N 446.556 1.845 30 10 IDEE C=CCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690653328 MQVWMPHXSSZPFQ-JOCHJYFZSA-N 441.536 1.325 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1690661943 MAXZINHHFCEYKX-OAHLLOKOSA-N 442.520 1.356 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690670057 XOSABSOGGUQALI-QGZVFWFLSA-N 436.582 1.242 30 10 IDEE C=CCSCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690750197 CMYGHXLACZHOLR-PKOBYXMFSA-N 436.626 1.723 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693819169 XNQZZKOERZTGNG-IWKHNONTSA-N 440.479 1.760 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)C1 1695960958 WPYHKSANHTYSIY-LPHOPBHVSA-N 444.561 1.761 30 10 IDEE COCCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698007618 KSQWMVPKZNCCNJ-FQEVSTJZSA-N 437.504 1.871 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)C1 1698483701 IHTBMTNPTPRVSG-SKDRFNHKSA-N 442.261 1.610 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)C(C)C)CC1 1705531476 KYZNHOXTZYCSJA-UHFFFAOYSA-N 447.543 1.910 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1705566668 QDJLFETZKYSJKS-HOCLYGCPSA-N 433.559 1.160 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705569868 KSOCHXUYYGRYBC-RBUKOAKNSA-N 447.630 1.897 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1705575747 VXMDCPGMKKSBRQ-ZDUSSCGKSA-N 436.335 1.543 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705622734 RWECBMIAPRFCPR-OIBXWCBGSA-N 448.564 1.744 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(C(=O)N(C)C)CCCC1 1705630133 HTNDHOYULFAJNA-UHFFFAOYSA-N 430.553 1.135 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705658408 PAFOTVUMNJQTSV-UHFFFAOYSA-N 429.550 1.214 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1705692629 OLLPWXKNFRODFA-RDTXWAMCSA-N 442.358 1.894 30 10 IDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705760119 APTHWIUKSLQJDF-AUUYWEPGSA-N 438.916 1.155 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 1705905379 SWWXFGCSGUGBQG-UHFFFAOYSA-N 442.539 1.611 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 1705922308 KNULDRCOPJTTND-QZTJIDSGSA-N 431.585 1.037 30 10 IDEE CC(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706064433 PTFFUDYRHGAVAK-MRXNPFEDSA-N 439.568 1.770 30 10 IDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710802604 PJKLFPHPNBGYBH-FQEVSTJZSA-N 437.548 1.850 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1711317681 OYUCQIFQCQENNF-XXBNENTESA-N 438.532 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1722277459 NNOIRJIGHZYKIY-KKUMJFAQSA-N 447.561 1.727 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1722302895 LRYSVUXTRWKXQM-IERDGZPVSA-N 448.545 1.263 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1722391474 NMOLSEXFLGYKOE-ZJSXRUAMSA-N 443.592 1.750 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC2CCOCC2)CC1 1722447730 OGBQSRLGLNMBMC-LJQANCHMSA-N 445.564 1.334 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1722552529 RCNOUIARQWFRMQ-AWEZNQCLSA-N 445.973 1.908 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1722568839 BJGIMRDIUPBIPP-LJQANCHMSA-N 443.596 1.500 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=C(C)CC1 1722693080 CREKGIXZPOVZNU-UHFFFAOYSA-N 444.561 1.654 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CCOC2)C1 1722717429 JZERQFSMDNWPMX-VGSWGCGISA-N 430.505 1.895 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccc(S(C)(=O)=O)cc1 1726389365 MCCCFJWAQFOTRG-UHFFFAOYSA-N 438.513 1.768 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728630617 JLVIXJTYFFPEJY-VQTJNVASSA-N 431.585 1.666 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1729748833 FTXPXVYWSBYRDN-FQEVSTJZSA-N 438.532 1.928 30 10 IDEE COc1cccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1730255143 ZFNBBKKJYIZXRD-SFHVURJKSA-N 428.493 1.623 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1740646950 MDDNISXHTOKNLK-MBSDFSHPSA-N 427.549 1.696 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1740697272 YBVMCNBTLFOJHG-PMACEKPBSA-N 448.637 1.436 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccsc2)CC1 1740698703 LELMDQWGYFMPTP-QFIPXVFZSA-N 439.589 1.864 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccs2)CC1 1740705362 GEKOFCITHRMDSP-MRXNPFEDSA-N 447.586 1.256 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1740717571 WCDCHIJJMMPCOJ-ROUUACIJSA-N 437.635 1.611 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)nc2)CC1 1740833192 MYIUBOJPQGVULS-CQSZACIVSA-N 447.565 1.692 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)=O)CC1 1740884676 ITQDRUVSOZXOJE-UHFFFAOYSA-N 430.509 1.657 30 10 IDEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1740887079 BOCIZZXJESIHSF-SFHVURJKSA-N 435.475 1.691 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1740941989 YCWUEUXOGORSMN-SFHVURJKSA-N 447.561 1.227 30 10 IDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCCN(S(C)(=O)=O)CC1 1740971184 JMWUEDWLEFJYRA-UHFFFAOYSA-N 449.577 1.899 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Cl)C1 1740979245 CFQXSDRUTXAZGO-LSDHHAIUSA-N 431.946 1.145 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740991755 CXMGJYPNJCLIDQ-DLBZAZTESA-N 439.582 1.268 30 10 IDEE CCCNC(=O)CCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745786892 FDAASKNZTSKZLG-INIZCTEOSA-N 441.540 1.108 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746459519 CYPVCDQDAWWOME-QUCCMNQESA-N 438.580 1.651 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1748971241 JAOUKAAZNJRUJG-SFHVURJKSA-N 440.523 1.876 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749015643 HWWIEXGWSAMCRV-LJQANCHMSA-N 440.592 1.891 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCOC)C(=O)C1 1749133061 HEWPKLPQUIYJLK-DENIHFKCSA-N 440.548 1.540 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749451687 CWNBBRWWGUNEGA-QGZVFWFLSA-N 425.493 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1749721246 FAFZZXMUROAICC-DOTOQJQBSA-N 437.566 1.119 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)N(C)C 1750022579 DNNXQQGZQGOKAK-QRQLOZEOSA-N 426.521 1.834 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1750200633 TYAXWIZLVZJIJU-UHFFFAOYSA-N 426.502 1.790 30 10 IDEE CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nnn(C)n1 1750743920 AYPDCENFWPVPJP-UHFFFAOYSA-N 434.552 1.632 30 10 IDEE CC(C)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1750902893 GMOISTFXIJHJLN-UHFFFAOYSA-N 446.577 1.694 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760131674 XPEFJJOTOOGINZ-IAGOWNOFSA-N 447.561 1.968 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1760181694 ADBLMADYSZREFY-INIZCTEOSA-N 430.530 1.979 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760227925 QBODOPPLLILXPT-APWZRJJASA-N 445.486 1.653 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1760264257 GZAQPNGBNIESEI-UHFFFAOYSA-N 430.516 1.689 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1760515582 DZYSDKQQNQRZEV-QUCCMNQESA-N 426.565 1.949 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1760521011 HEXKFOQUPIYDSA-RTBURBONSA-N 437.548 1.242 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OCC)CC1 1760524855 LJDURDVWEZMXNE-UHFFFAOYSA-N 442.520 1.458 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760677086 IWEDZIMSOQBOCM-IBGZPJMESA-N 435.532 1.838 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1764690865 FJPBBIAVOMCWIU-HOTGVXAUSA-N 449.556 1.661 30 10 IDEE CCN(C[C@H]1COc2ccccc2O1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1765191636 PSSBCXFXAABGEJ-JHBCHSCWSA-N 438.488 1.779 30 10 IDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1769227862 NXKNAYOVPDTMIE-SZVBFZGTSA-N 443.504 1.371 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1770309980 YCYVIOBUHHYADO-ZWKOTPCHSA-N 445.545 1.628 30 10 IDEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1771485317 XLFFIKRYLFEPFJ-IBGZPJMESA-N 444.561 1.823 30 10 IDEE Cc1nc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nn1-c1ccc(F)cc1 1852283241 PPUQJOYALDBACR-UHFFFAOYSA-N 435.463 1.961 30 10 IDEE N#Cc1cccnc1C1CCN([C@@H]2CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2=O)CC1 1854999527 PJLOPKFMJGFUKN-ZWKOTPCHSA-N 430.530 1.085 30 10 IDEE COc1cccc2c1SC[C@@H](C(=O)N1CCN([C@H]3CCN(CCC#N)C3)CC1=O)C2 1855028966 JNLHBHFYGRPOOZ-ROUUACIJSA-N 428.558 1.618 30 10 IDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1855650874 WUMLFPHRWBKGDH-IBGZPJMESA-N 429.542 1.519 30 10 IDEE C[C@@H](O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932136 VGRQDIUFQUCHAV-FZKQIMNGSA-N 426.498 1.315 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCCc2cnc[nH]2)sc2c1CCC2 1872649562 DQVPKWCSYFGNNU-UHFFFAOYSA-N 441.473 1.133 30 10 IDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)C2)c1 1890096053 HIXNGQBEMCQKMJ-SJLPKXTDSA-N 444.488 1.925 30 10 IDEE C=CC1(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](CO)C2)CN(C(=O)OC(C)(C)C)C1 1990921848 CUYIFWGFOPWHBA-QCKZDCLWSA-N 425.526 1.944 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCc1sccc1C#CCO 2145936318 FBQPTIAZEUHTMG-UHFFFAOYSA-N 446.550 1.978 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 2171817178 IBWCGCSXRPAPMD-YWZLYKJASA-N 434.493 1.013 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2255524474 ROZQAQCHHYHOKN-ZDUSSCGKSA-N 438.305 1.740 30 10 IDEE C[C@@H](CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255604747 HVHBMSFLIYFEFW-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255609863 LEIZXXZGHFYUKO-KBPBESRZSA-N 434.346 1.610 30 10 IDEE C[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255639545 GDPATLBRVCSJIU-CMPLNLGQSA-N 447.288 1.971 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256619456 YWAHUEAJLXSVHJ-BXUZGUMPSA-N 439.293 1.733 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266752007 WZYMPAMQGJKSKB-JOCHJYFZSA-N 449.357 1.473 30 10 IDEE C[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267001634 NPCGRPDYYAWNEQ-SWLSCSKDSA-N 441.259 1.910 30 10 IDEE Cc1cnc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267112857 MTBHVAZGAWVZQM-HOTGVXAUSA-N 447.341 1.711 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2267514301 XHFBSWZYXWDWPL-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267521703 SZCFKIYOMXOPEK-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 33395600 FNCFDRZPERLFNV-KMKOMSMNSA-N 448.486 1.083 30 10 IDEE COc1cccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72444308 RWHMGNISZFMFHK-HOTGVXAUSA-N 437.456 1.346 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@]3(CNC(=O)C3)C1)CCCC2 434754448 ILZFPDGVBBKJPW-MWTRTKDXSA-N 425.533 1.568 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 460771529 OMBJCEBGTGCKEH-CQSZACIVSA-N 435.472 1.886 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 466107157 LOSHMOQUCDFDJA-UHFFFAOYSA-N 433.512 1.854 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 480926450 JAIRTQVXIMIUPF-UHFFFAOYSA-N 426.589 1.789 30 10 IDEE CCN1CCC[C@H]1CN1C[C@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1=O 482527315 DCGHXWWXLHXMNZ-YADHBBJMSA-N 437.588 1.994 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)c1 491602441 UNFTVOLHXPIKAG-CYBMUJFWSA-N 433.490 1.273 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc(OC)c1OC 505482485 ZGRLLEUSTCTDHZ-WOWRSWPSSA-N 444.488 1.894 30 10 IDEE N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nnc(C3CC3)n2Cc2ccco2)c1 506888777 AQCRGQVZGPSBBG-UHFFFAOYSA-N 425.470 1.759 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 508481262 OWAHSICLFRRQHR-UHFFFAOYSA-N 449.519 1.935 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508811687 UIRHEJIDKUFIAB-CQSZACIVSA-N 438.492 1.680 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](S(=O)(=O)N(C)C)C1 511063339 HFANBPHQMDNYIV-KRWDZBQOSA-N 439.582 1.307 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H](c2cccs2)N2CCOCC2)CC1 514563979 KWDUGVRXWGMLAF-GOSISDBHSA-N 426.546 1.920 30 10 IDEE C=CCNC(=O)CNC(c1nc2c(s1)CN(C)CC2)c1nc2c(s1)CN(C)CC2 542500316 UPPSJTAYBKNDRM-UHFFFAOYSA-N 432.619 1.557 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 543860637 BYOMWZINJGTASG-UHFFFAOYSA-N 438.505 1.520 30 10 IDEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc2O1 544842182 AUVXRVKJHAFQPR-LJQANCHMSA-N 442.497 1.331 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 549248092 JYJVXOGRCSEDDF-MJGOQNOKSA-N 432.569 1.511 30 10 IDEE COc1cccc(OCCN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)c1 586859699 FPSFYUPTKKVXCZ-UHFFFAOYSA-N 440.475 1.545 30 10 IDEE COC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nc1C1CC1 589484245 KNWFSXZZTUWHLE-UHFFFAOYSA-N 428.470 1.212 30 10 IDEE C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 614865948 HMVQXKLLFCSZNS-OAHLLOKOSA-N 443.481 1.841 30 10 IDEE C#CCN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)[C@@H]1CCS(=O)(=O)C1 729331274 ATLFPGZOJWBJNQ-CYBMUJFWSA-N 447.563 1.835 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)Cc2ccccc2C1 737985831 ZGYHCSROXXRCDL-UHFFFAOYSA-N 441.553 1.932 30 10 IDEE COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 740188497 GHBUFEVFQCSZRT-IBGZPJMESA-N 444.465 1.650 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(F)F)CC1 747200873 VMSSEUMTBMRRJS-OAHLLOKOSA-N 428.505 1.693 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2ccc(=O)c3ccccc32)c1 749502048 KBSWGBVJVGQASN-UHFFFAOYSA-N 429.476 1.875 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cccc(F)c2I)C1=O 752825327 LJXALTZSROXHTJ-UHFFFAOYSA-N 446.172 1.450 30 10 IDEE C#CCN(C(=O)Nc1cccc(C(=O)OC)c1Br)[C@@H]1CCS(=O)(=O)C1 755506468 CABIPWSKEPJFRJ-LLVKDONJSA-N 429.292 1.890 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 757156050 FRZMEFXEZIUWAD-SBJJXXPASA-N 426.502 1.470 30 10 IDEE C#C[C@]1(O)CCN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757468505 ONVNTQALZJTHNL-OFVILXPXSA-N 448.475 1.965 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)s1 765146077 RTMVEPSVVPSZGS-UHFFFAOYSA-N 426.523 1.837 30 10 IDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n(-c2ccc(Cl)cc2)n1 768085144 DQHGBZADPJODAD-ISLYRVAYSA-N 442.863 1.415 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 774168548 MXZTVRHVRJBGDB-NRFANRHFSA-N 432.590 1.339 30 10 IDEE COC(=O)[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(O)c1 775796585 PLUXDQCNZIOFMH-KPZWWZAWSA-N 431.470 1.240 30 10 IDEE Cn1ncc(Br)c1/C=C\C(=O)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 782313675 OXTJCZVWJMTLAV-SREVYHEPSA-N 442.291 1.832 30 10 IDEE NC(=O)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC[C@@H]2CCOC2)cc1 784126580 ZBFXQGGRQMMDRC-DYVFJYSZSA-N 430.530 1.812 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 784127099 UPKYDYAWUXYZKA-GOSISDBHSA-N 446.529 1.065 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)n1 788815194 MRJOAKCRUODHDU-MRXNPFEDSA-N 430.530 1.516 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1C#N 793364158 RYQVEPCIYVFLMZ-RELWKKBWSA-N 433.515 1.875 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837507531 YWBSVHDTBSYWQT-UHFFFAOYSA-N 434.525 1.026 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1 839203145 NWCSHMUACSWRPG-UHFFFAOYSA-N 425.489 1.191 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3[nH]c4ccc(C(=O)O)cc4c3C2)c1 914497616 AJHGCJKEIMGOHX-UHFFFAOYSA-N 437.477 1.976 30 10 IDEE COc1ccc(C)cc1N1C[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1=O 916179018 DKHBSPTWRHVRTJ-KRWDZBQOSA-N 427.482 1.874 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCCS(N)(=O)=O)c1 1141878335 UKDAYIWCEWLOTL-SILNSSARSA-N 430.552 1.287 30 10 IDEE C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1153301480 LMDXTMHAXAPFTP-BEFAXECRSA-N 442.516 1.444 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCCN(c2ccccc2C#N)CC1 1167318525 NHGLQBKBQZKNSR-UHFFFAOYSA-N 425.455 1.549 30 10 IDEE Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1ccc(C(F)(F)F)cc1 1167527409 OYTMPPQTPXUWAY-UHFFFAOYSA-N 432.362 1.764 30 10 IDEE C#CC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)CC1 1196429387 IAQLWRVRBQPDRU-GHRIWEEISA-N 447.944 1.953 30 10 IDEE COc1cc(CN2CCOC[C@H]2CNS(C)(=O)=O)ccc1OCc1cccc(C#N)c1 1196639199 MHABZGWXPWGEDQ-HXUWFJFHSA-N 445.541 1.896 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1286294216 CDOBWHBUPAVRHL-CJNGLKHVSA-N 438.941 1.166 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C(F)(F)F)ccn1 1286360305 FLYZSPHJCUGLOQ-GFCCVEGCSA-N 430.456 1.614 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1286383245 LXEADGQPCNDFPR-IBGZPJMESA-N 443.529 1.106 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1286411109 YXBCGZLCGKKQMG-SFHVURJKSA-N 439.520 1.441 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1nnnn1CC1CC1 1286514588 MNMFFQBCIRLJRY-OAQYLSRUSA-N 425.541 1.633 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1286599839 DJSTYNAMINOLRK-INIZCTEOSA-N 428.603 1.402 30 10 IDEE Cc1c(Cl)cccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1289269409 YQXBINNIZZCULS-JKSUJKDBSA-N 435.937 1.919 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1295175492 ZQPOHIUMDJXWKU-MOPGFXCFSA-N 445.545 1.636 30 10 IDEE C[C@H](CC(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1298644708 QJVIBINCTZSUBO-LDJQZATESA-N 445.516 1.830 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1299308252 NXPJLBYWDGMAFH-UHFFFAOYSA-N 439.501 1.029 30 10 IDEE COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCC[C@@H](OC)C1 1300215074 MTWNUYZFJJYNGA-PBFPGSCMSA-N 426.466 1.600 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1300308123 MIJFISBZJLISOK-QWHCGFSZSA-N 438.351 1.844 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1300482769 GYKGXGACANEQGF-MSOLQXFVSA-N 437.610 1.265 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1300493939 XHISCKWQHLVNRP-SFHVURJKSA-N 435.594 1.018 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1300547037 CFODAOHLMZENEE-JOCHJYFZSA-N 425.558 1.718 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCC 1300663968 MAADUJVVZBBDDF-QHCPKHFHSA-N 438.532 1.829 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN1CCc2sccc2C1 1300664969 WOZKYMOSLMOLDH-UHFFFAOYSA-N 425.562 1.884 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CCN1CCN(C(C)=O)CC1 1300673552 OTKQCCKSCFLMPA-UHFFFAOYSA-N 430.578 1.181 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H]2COCCO2)CC1 1300701229 LPHNSZITJNUERV-QGZVFWFLSA-N 431.487 1.708 30 10 IDEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1300848690 HTMKKWVZXHGKIM-OAHLLOKOSA-N 434.294 1.978 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1300991619 VXZKUKFFBJJDEE-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301196498 CNWGFEZSGIBBFA-NVXWUHKLSA-N 437.570 1.649 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1301568419 GKPYHUWLDPJJIQ-AWEZNQCLSA-N 437.497 1.094 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301587098 XOWNFXNBMUNYBZ-MOPGFXCFSA-N 447.561 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1301587725 RIHKJOCRBLPXQQ-UHFFFAOYSA-N 443.577 1.411 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301921832 XSUPQDXSEANVLT-FQEVSTJZSA-N 437.548 1.501 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)CC1 1309802692 XEMMSQCRFKJQTH-UHFFFAOYSA-N 449.554 1.561 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1312663122 XZCWEMYBWBBGPO-ZDUSSCGKSA-N 434.356 1.662 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1314683205 GQOIFJRWDKMUCV-KRWDZBQOSA-N 444.517 1.282 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1316223985 GZNZNEDTERBNGX-LAUBAEHRSA-N 428.468 1.745 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCOC4(CCC4)C3)n2CCOCCCO)cc1 1316533397 OGIXJUVPKAVJQG-UHFFFAOYSA-N 427.505 1.887 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3ccccc3C#N)CC(=O)N2C(C)(C)C)cn1 1321088404 GNONWFXYIBJFSF-MAUKXSAKSA-N 429.502 1.485 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)cc1 1342864393 JSHVVTUEGHHMTC-OAHLLOKOSA-N 445.497 1.861 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358957815 AUFMQSHUBKEUTE-MRXNPFEDSA-N 444.517 1.797 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1358960193 ZCKJUEFIVHNWOY-SFHVURJKSA-N 440.529 1.896 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1358976259 WXJYOOZYGAQHCT-UHFFFAOYSA-N 434.525 1.678 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C 1358998812 UDMCHCPLFRVPIT-QZTJIDSGSA-N 435.594 1.551 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359048235 JMSOBQQCZOFTPU-QGZVFWFLSA-N 430.578 1.472 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCC(F)F)C1 1359323063 HLWXKSRHLPNBOO-CQSZACIVSA-N 426.493 1.796 30 10 IDEE CC(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359460340 LFFOFXJNYUEEKI-UHFFFAOYSA-N 432.488 1.325 30 10 IDEE CC(C)(C)N1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359549727 ZMKCBBHTHLKZGJ-MXLIYFDZSA-N 443.552 1.229 30 10 IDEE COc1cc2nc(C(=O)N3CCN(c4ccccc4C#N)CC3)c(=O)n(C)c2cc1OC 1442880526 NYZNOVQVUBSGIZ-UHFFFAOYSA-N 433.468 1.785 30 10 IDEE C#C[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1452477264 OVJVPDWFDNDZJA-XJKSGUPXSA-N 445.463 1.490 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)s1 1452957352 UOZWKZHKFFXFPI-GOSISDBHSA-N 430.548 1.372 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(C(=O)OCC)(C(F)(F)F)CC1)c1cc[nH]n1 1456562221 NSWIPSNOBMVIKT-UHFFFAOYSA-N 448.398 1.428 30 10 IDEE Cc1nc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1-c1nc[nH]n1 1456590756 OGOKNAGJZSJXAI-KNVOCYPGSA-N 445.274 1.937 30 10 IDEE CNc1cc(I)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456613603 MPMIYEBUWLIZIH-ZUZCIYMTSA-N 445.282 1.343 30 10 IDEE Cn1nccc1[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1461241992 OFIRFCMLUNQFDU-FQEVSTJZSA-N 443.529 1.293 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)OC)c(OC)c2)s1 1466086951 DUXMAFSQUXIIMV-UHFFFAOYSA-N 438.527 1.867 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCO[C@H](CN3CCOCC3)C2)C1 1470684897 FSAXDGKJDDHNGA-GOSISDBHSA-N 449.349 1.317 30 10 IDEE CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1471688691 QADBUAFYAOWEMG-ZOBUZTSGSA-N 426.473 2.000 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1473411557 CUSJKTHXGQNNRK-ROUUACIJSA-N 437.585 1.880 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)NCC4(C#N)CCC4)C3)[C@@H]2C1 1478842227 WMNJGCWDNFXYAH-OAGGEKHMSA-N 433.509 1.904 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1503890691 HOBNCXNFZQDJFL-UHFFFAOYSA-N 449.471 1.615 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1503927975 CIRVFQIDNJRXKZ-AUUYWEPGSA-N 436.513 1.672 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCSCCCO)CCN1C1CC1 1505323847 JJRBHOPNTWSQFC-IBGZPJMESA-N 427.578 1.556 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1507644190 BXWTWRBKJXTENH-UHFFFAOYSA-N 427.530 1.290 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507782811 AQTKHMNHBGGKDB-OAHLLOKOSA-N 441.374 1.639 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507801625 WOPKZXOCQAVBRL-CBZIJGRNSA-N 439.582 1.470 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507848961 QSDXMTFFJQZFCD-IEBWSBKVSA-N 432.569 1.511 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(c2ccccc2)CC1 1508090969 QPJNWILLYLRIBK-SFHVURJKSA-N 425.533 1.962 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)OC)C1 1508106428 YCLRNVQPXLYSBM-IRXDYDNUSA-N 425.489 1.842 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C)c(C)s2)C1 1508114172 JVVGKNBITHPHQE-UKRRQHHQSA-N 440.595 1.791 30 10 IDEE Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1510877045 MZJOVNDJHXKRJY-SFHVURJKSA-N 435.444 1.638 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCN(C)C)cs1 1511546131 HQFXVUHQZAZUHA-IBGZPJMESA-N 444.609 1.389 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517899355 XSSFUQASCAMVBU-DIYRITFWSA-N 430.509 1.314 30 10 IDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OCC 1537003395 CNBCNTKYHWMQRS-KRWDZBQOSA-N 428.482 1.474 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(OCCCOC)c1)[C@H]1CCS(=O)(=O)C1 1539206063 MIANILBYZOQFDY-IBGZPJMESA-N 432.546 1.677 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539229677 GPXIUEIIOLLVTC-WIYYLYMNSA-N 448.593 1.318 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCNC(=O)c2occc2C)CC1 1539483349 YCDYKUBQAXOJEB-UHFFFAOYSA-N 426.521 1.528 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCN1S(C)(=O)=O 1539538663 LBIHEQMEJVHYHT-SQGPQFPESA-N 439.582 1.418 30 10 IDEE C=CCCOCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1540043263 ZGNYFQVRGZUOJL-LLGFUMIMSA-N 435.525 1.458 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1540200611 FEYSNIOONSUXJD-MRXNPFEDSA-N 437.541 1.750 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)C)CC1 1540864706 IVBHMHLJENCXLM-UHFFFAOYSA-N 446.577 1.181 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2nccs2)C1 1540872937 GPJJODLQOWCLQQ-INIZCTEOSA-N 425.518 1.601 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1541115609 BSAJBAQTPPZJQU-JKSUJKDBSA-N 446.581 1.337 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 1542894736 KCULJCSQDDYEIQ-JPYJTQIMSA-N 432.565 1.307 30 10 IDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1546851493 FROUMECXLMBANU-HTAPYJJXSA-N 426.521 1.982 30 10 IDEE CCOCc1nnc(N(C)Cc2ccccc2O)n1CCN/C(O)=C1\N=CC=CC1=O 1548085485 MTMKWFRQBHEZME-FMQUCBEESA-N 426.477 1.683 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(Cc3ccncc3)n2CCOCCCO)CC1 1555991526 WBMQLKDVLDXSMW-UHFFFAOYSA-N 447.543 1.861 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(C2(C)OCCO2)c1 1556825558 DHNSKKDYENVFHY-OAHLLOKOSA-N 429.498 1.761 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)cc1 1557945770 ODOPOPMCYPZYFQ-UHFFFAOYSA-N 428.514 1.542 30 10 IDEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1I 1585659917 AFVFPQDJWCYWCV-XHDPSFHLSA-N 446.266 1.310 30 10 IDEE C#CCCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1587794075 ZWWOSWSEWXCRAQ-XUZZJYLKSA-N 444.624 1.950 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1588228394 FHGGOCGLRMNBNG-GOSISDBHSA-N 445.589 1.434 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCc2ccn(C)n2)CC1 1588913325 HGGAOUORBNKNNQ-UHFFFAOYSA-N 447.543 1.896 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1589070674 WAMFBJIVMDTTGM-IRXDYDNUSA-N 441.623 1.256 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1593695024 BIALNFWCLXNCGU-MRXNPFEDSA-N 428.493 1.908 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C2CC2)N(C)C)CC1 1594096868 JOPRXBJEKOROKR-ROUUACIJSA-N 438.598 1.108 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1594813362 RIYSYCFCVBHIJP-MSOLQXFVSA-N 448.593 1.890 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1595476365 KHUBPYWZSVMPGX-XYJFISCASA-N 446.577 1.573 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1595529660 CFDGQFKGTQZEJP-LJQANCHMSA-N 439.564 1.499 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCC)c2)C1 1595715573 YMIFRYRRDUQHFP-RTBURBONSA-N 438.532 1.809 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)C1 1595729534 NERPWKSNQSBSQD-CRAIPNDOSA-N 449.533 1.121 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 1610065486 ROZMQZCFTFXEHQ-IBGZPJMESA-N 432.565 1.578 30 10 IDEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1614276576 GVVCXZLUYFWPTF-WAYWQWQTSA-N 435.532 1.956 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 1616347338 PISPOPSXYHEULW-ZPHPHTNESA-N 446.510 1.805 30 10 IDEE COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1619475018 FNJQGQRLNONIIO-KRWDZBQOSA-N 430.534 1.762 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCCC1 1619994703 KRIFPKXFDPPZSK-HNNXBMFYSA-N 442.520 1.842 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1626182824 JVASSOGUWGFMII-HZPDHXFCSA-N 430.571 1.894 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1)C(=O)OC 1626188461 ZMVGTXKXALWWEJ-GOEBONIOSA-N 444.513 1.271 30 10 IDEE C#C[C@H](NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1)c1ccc(Br)cc1 1628543907 ZOXLIYHWNQIOKJ-LBPRGKRZSA-N 430.262 1.548 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1643335856 WLQAJLSLAPVHSU-XHSDSOJGSA-N 437.493 1.537 30 10 IDEE N#Cc1cn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)c(=O)nc1O 1646149000 YQYIGCNGGIKBLJ-LEWJYISDSA-N 444.495 1.248 30 10 IDEE Cc1c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cccc1S(=O)(=O)N(C)C 1651074474 GPJADJOAPPLJSS-UHFFFAOYSA-N 436.515 1.034 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)N(C)C 1653538829 AAHOFVHEASWSCT-JKSUJKDBSA-N 434.541 1.635 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1660820289 FVMPMKUCHKORLW-UHFFFAOYSA-N 433.574 1.930 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC23CN(C(=O)OC(C)(C)C)C3)c1 1666779171 GHGLBMCGQBPHIR-UHFFFAOYSA-N 437.518 1.570 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1676030963 MXAWZHDVAGWGHE-MOPGFXCFSA-N 447.580 1.337 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 1680909831 OYLBHDRMMCEHCZ-CYBMUJFWSA-N 437.331 1.639 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCC2(C#N)CCOCC2)C1 1684718890 UWZZDJOLZTYEAW-MRXNPFEDSA-N 437.541 1.369 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689988226 LFZZGXNUHLIJTG-SCTDSRPQSA-N 446.577 1.511 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C(C)C 1690004903 KLOQXEROZOXAIJ-UHFFFAOYSA-N 431.338 1.891 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1690029610 FJTYLUXDGPFXEW-UHFFFAOYSA-N 428.537 1.844 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1690250346 GEXFPZLZVCGXBI-YJBOKZPZSA-N 437.591 1.850 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690251212 QSPZPEGIPAQCBR-WFXMLNOXSA-N 427.553 1.788 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(SC)CC2)CC1 1690375401 KEPSKOJHPGYPJA-HNNXBMFYSA-N 427.596 1.663 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1690514974 BPUXBNPSGDVLGY-PGGUUEOZSA-N 425.580 1.437 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1695036663 BTKVUCBZKDKOKM-RXVVDRJESA-N 446.577 1.886 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@](C)(C#N)C1 1696622884 FKLGKZNRHNLCCJ-IBGZPJMESA-N 447.521 1.875 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1698128988 IVYAVKRCRIPEML-MRXNPFEDSA-N 439.582 1.957 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1705474779 LYQWXCWUEKVDOI-MRXNPFEDSA-N 447.499 1.822 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705567756 YYZCFAAMNQAFQQ-UYAOXDASSA-N 449.621 1.673 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1705611497 GCPGPKCEIKEXNB-UHFFFAOYSA-N 442.545 1.569 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC(C)C 1705625726 UOLFAWCVOWCKNF-GOSISDBHSA-N 426.496 1.923 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1705634673 FTLXOILHVNNNAH-MOPGFXCFSA-N 433.553 1.301 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1705692627 OLLPWXKNFRODFA-KDOFPFPSSA-N 442.358 1.894 30 10 IDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705734970 GCZACULNCHFANL-UHFFFAOYSA-N 425.537 1.959 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1705767420 ALPUHIUIKJRYHC-GOSISDBHSA-N 445.545 1.868 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1705834249 HAKALLBZVYRHDX-INIZCTEOSA-N 429.550 1.939 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1705884152 HSNUXSOTLIOJRS-FQEVSTJZSA-N 440.548 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1705900841 RLTKSCHDZPYYKW-GOSISDBHSA-N 441.442 1.893 30 10 IDEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1709750186 AFYKBIMUIAWWNV-LJQANCHMSA-N 428.562 1.784 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1712249251 RPFSIMRAIRPRLY-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1722332215 GKZTWBQTVSZBHX-QFBILLFUSA-N 439.607 1.358 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1722359194 JGIKMRSXAKROHG-GOSISDBHSA-N 427.530 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1722371553 XWMRDVWZFFRPIE-NRFANRHFSA-N 447.587 1.700 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722441600 LMTKPBCINPVVJX-FQEVSTJZSA-N 436.560 1.835 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722451990 ABUDLRCLPBKHRI-DLBZAZTESA-N 442.545 1.676 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722453042 NKBCZIFFEIVUPI-OAHLLOKOSA-N 431.522 1.150 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1722617171 HKGSNRVBBYYSMM-INIZCTEOSA-N 440.595 1.979 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1722705843 ISSJMIWBRZSNQU-MRXNPFEDSA-N 426.521 1.389 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)NC(C)C)cs1 1725223264 KYYQZDDYEIZGAU-CYBMUJFWSA-N 425.584 1.558 30 10 IDEE CO[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1729879823 HZMPEGMXQRCCTH-IRXDYDNUSA-N 439.520 1.825 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1730724856 DGLGOUNZYNDYOP-JOCHJYFZSA-N 425.537 1.487 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1730784586 CJGOHPYTSWVQKB-HKBQPEDESA-N 442.589 1.886 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730974536 IPPSKFGJJSISNK-NXHAUGRDSA-N 426.452 1.836 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1740611069 SQBBFAPKLFIBOU-MRXNPFEDSA-N 445.524 1.980 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCSC2)n1 1740688798 JVDXPYAJTZTDRI-KRWDZBQOSA-N 438.561 1.971 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740704909 VZOXPVXOFVREKH-KSFYIVLOSA-N 425.537 1.196 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740715422 IZANYIJNXNAUGB-KRWDZBQOSA-N 442.593 1.138 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1740720171 QHFLEGOFEAGHCU-UHFFFAOYSA-N 432.594 1.508 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740884713 KLENWHIKSDDXJA-QGZVFWFLSA-N 434.566 1.870 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1741073372 BBUKJROCAMLXCU-NQIIRXRSSA-N 426.546 1.790 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1744750152 FBKPBTNEWCKRBH-ZQHDKMAOSA-N 426.546 1.833 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1748710519 SDLDJUUTWWHMAS-UHFFFAOYSA-N 426.502 1.632 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748802381 OTEQTPGIYVYBIS-KRWDZBQOSA-N 437.610 1.313 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748815441 QMCYOTXTPFODQO-LNLFQRSKSA-N 435.594 1.282 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CCC1 1748851780 NBRQALZOAFVZNB-UHFFFAOYSA-N 426.542 1.940 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1CCN(c2ccncc2)CC1 1748948850 YONJTZWTANNSMV-UHFFFAOYSA-N 439.564 1.814 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COCC)CC1 1749303399 JQBQJHYNBLNECZ-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1749599763 KNQUNIUYCBTDPR-LJQANCHMSA-N 446.573 1.940 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2cscn2)CC1 1749731474 FECPXSHVVDXQEF-UHFFFAOYSA-N 436.607 1.925 30 10 IDEE COCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1750105562 SRQGPFDIBQOSOA-IBGZPJMESA-N 441.536 1.776 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@@H]1O 1750339458 PQJWEISOGCAJLS-WVBUVRCRSA-N 426.521 1.002 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750677689 JJWXXMITUPRPCX-BWVDKLOVSA-N 437.504 1.728 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3ccncc3)n2CCOCCS(C)(=O)=O)CC1 1751278175 AERSKTUIRDTQSK-UHFFFAOYSA-N 432.550 1.455 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)CCC2 1751729733 GKDANLYJHJVGCS-JYJNAYRXSA-N 434.570 1.709 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760186805 ATAGFQDTMMHOKO-QGZVFWFLSA-N 429.546 1.580 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 1760262233 JYEKWSZZJZKVHH-UHFFFAOYSA-N 440.567 1.876 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760300089 SEARZHCRPFGZLR-JSGCOSHPSA-N 439.358 1.820 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1760349006 WBJYKEZGVRMAIH-HNNXBMFYSA-N 442.586 1.912 30 10 IDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1760813167 HWJOXDAMZAZHQG-RBZFPXEDSA-N 435.504 1.974 30 10 IDEE CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763041817 MDASNWDYNHMLOP-YGCDDZCOSA-N 443.552 1.356 30 10 IDEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1)OC 1765563737 CWIXXBNBIVCLGK-FQEVSTJZSA-N 439.564 1.890 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)CCOC1 1767481076 AAOZCJABBMAMJT-XQBPLPMBSA-N 432.569 1.781 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768032070 DTYLZKCESXQPTH-QQMHEVNUSA-N 437.504 1.729 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1768798259 JNUSUFYLQIXKAX-SZLLDUCCSA-N 444.536 1.909 30 10 IDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1771016181 HOJWIWCAZSSKMF-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1772564710 VEOBRUKBROZJJV-MRXNPFEDSA-N 427.571 1.440 30 10 IDEE C=CCOC(=O)[C@H](NC(=O)[C@H]1COCCO1)c1ccccc1I 1850705246 KDZBSNTYXXEHPE-ZIAGYGMSSA-N 431.226 1.593 30 10 IDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1=O 1856496530 IWMGJRJINQQNLT-QAPCUYQASA-N 436.509 1.199 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@@H](CN3CCCN(C4COC4)CC3)CC2=O)c1 1856770351 CRMKVWCYZLVTSZ-QGZVFWFLSA-N 430.936 1.801 30 10 IDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)c1 1866887321 KZZCWLRVDVVALT-QGZVFWFLSA-N 435.889 1.491 30 10 IDEE CCOC(=O)[C@@H]1CCCN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C1 1868783458 RLPXDSUHBWSPAN-MSOLQXFVSA-N 446.573 1.943 30 10 IDEE C#CCOc1cn(CCc2cnc[nH]2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871007079 LANUHLWWZCDGPZ-UHFFFAOYSA-N 431.452 1.664 30 10 IDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873594533 VTNGJQQJORRDND-UHFFFAOYSA-N 437.504 1.656 30 10 IDEE C#CCN(CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)C(=O)OC(C)(C)C 1985003815 GXNUMPBGAIXOLU-CVEARBPZSA-N 425.526 1.591 30 10 IDEE CN1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H]1C#N 2010470158 HSFLLVIPJARIDW-ROUUACIJSA-N 430.505 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010545657 XVIXTZMAQZTLCV-WOJBJXKFSA-N 427.549 1.822 30 10 IDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cc(C#CCCO)cs1 2121160607 DKCZDZGFOBLVIY-CQSZACIVSA-N 432.523 1.759 30 10 IDEE CO[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)[C@H]2COC[C@H]12 2172781111 ZLGRXPSZAPLPNG-AEGPPILISA-N 425.132 1.993 30 10 IDEE COCC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)NC(=O)OC(C)(C)C 2255838250 CLJYMQKRFQTPRB-OAHLLOKOSA-N 437.346 1.974 30 10 IDEE C=CCCSCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258172997 KNPNGQCDECRFPR-MRXNPFEDSA-N 430.548 1.683 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2267154011 UOJHMNCMWCWQHX-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 2267183342 MQNVZOJKWWVSFI-GFCCVEGCSA-N 444.263 1.393 30 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442.476 1.519 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 438130745 MXHGOXSFBCANLL-KSZLIROESA-N 425.537 1.750 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H]3CCC[C@@H]3[C@@H]1C(N)=O)CCCC2 469835794 GJGZRQFVJSLJKY-ACTFIFLWSA-N 439.560 1.942 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 518549962 FRIOSYQLZRXZMZ-UHFFFAOYSA-N 444.513 1.656 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 523306251 XOECZHWGYBLHIQ-AWEZNQCLSA-N 445.522 1.931 30 10 IDEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 558989987 GMMCJQIEBORZAM-HXUWFJFHSA-N 440.548 1.415 30 10 IDEE COc1cc(CC2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cc(OC)c1 562155862 BBUYCVHGRGOUJK-UHFFFAOYSA-N 429.498 1.555 30 10 IDEE CC(C)(C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1)c1cc(F)cc(C#N)c1 586810258 PTNDKCXMBSWMPG-UHFFFAOYSA-N 430.505 1.971 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCN1CCOCC1 588152409 SACFZKOLYKTKTE-QGZVFWFLSA-N 439.581 1.669 30 10 IDEE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 609459049 OWUABRSMBIIBGF-CABCVRRESA-N 437.522 1.732 30 10 IDEE C=C(Br)CS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(Br)c1 704610988 USAKYKOEXKSMNF-UHFFFAOYSA-N 434.131 1.747 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)cc1 728404096 HPIIVBTYSMGILI-UHFFFAOYSA-N 425.464 1.583 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668256 DIBDRBNAINUVFA-UHFFFAOYSA-N 429.505 1.574 30 10 IDEE Cc1c(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)cnn1C 758061497 FPCKEAACUIHECC-SFHVURJKSA-N 428.562 1.928 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765546212 XVMRQROJLMYZCK-SFHVURJKSA-N 428.562 1.928 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 766987819 FFKYXUCFHLGGGM-MRXNPFEDSA-N 429.454 1.803 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2CCCN(CC#N)C2)C1=O 771587025 VYCSGKKHYVQOLB-OPAMFIHVSA-N 427.505 1.122 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@H]3CCCO3)c2=O)cn1 772276403 CYICPSIRCJKCIR-GOSISDBHSA-N 447.520 1.528 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccccc1C(=O)c1ccccc1 772662807 CFKNVVQHWMLZBW-VZCXRCSSSA-N 425.466 1.722 30 10 IDEE C#CCN(C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 774043812 NUZFAJRABSTARQ-INIZCTEOSA-N 425.532 1.189 30 10 IDEE CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780174359 BXFVFDKKSOAOTR-JLTOFOAXSA-N 425.482 1.480 30 10 IDEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793466995 CZZLDRFCDVLHKF-UHFFFAOYSA-N 433.493 1.439 30 10 IDEE C[C@@H](F)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 814709192 URYNWPLUGDHLKU-CZUORRHYSA-N 437.541 1.533 30 10 IDEE C=C(C)CN/C(S)=C(/C(O)=c1cc2c(cc1F)=NC(=O)CC2)n1ccc(=[N+](C)C)cc1 917609436 GWNMAMCSACPOMA-UHFFFAOYSA-O 441.552 1.339 30 10 IDEE CCOC(=O)C1=C(c2ccc(O)c(OC)c2)[C@H](C#N)C(=N)N[C@H]1[C@H](C#N)C(=O)OCC 1088645853 CMABWIVVRALHQJ-LXIYXOSZSA-N 426.429 1.509 30 10 IDEE C=CC1(CC(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CN(C(=O)OC(C)(C)C)C1 1136833665 ZHNDCTWKRZOZRJ-UHFFFAOYSA-N 434.541 1.313 30 10 IDEE N#Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)ccc1N1CCC(O)CC1 1137497149 AQLSKRBWSYMKBN-UHFFFAOYSA-N 443.525 1.467 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1137647846 QQWSBJMMFFYQSG-JKSUJKDBSA-N 427.509 1.468 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N[C@@H](C)C(C)C)s1 1145002923 AKPHTXAFYJIYPV-ZFWWWQNUSA-N 445.632 1.817 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cccs2)c1 1151545842 KNWPLVPVFKHLEE-UHFFFAOYSA-N 426.541 1.253 30 10 IDEE C#CCOc1ccc(CNCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1203048208 ITFIODZEWQVJKV-UHFFFAOYSA-N 443.569 1.949 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 1275548867 BCSZUECHCVCGDH-MRXNPFEDSA-N 432.546 1.397 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286386007 SHPNNQPKDGMBTB-KSZLIROESA-N 438.550 1.322 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286396664 WXXLLIYGJVWNFB-XMSQKQJNSA-N 446.573 1.665 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1286399933 RJFXXJKCWZPCDX-SJORKVTESA-N 429.550 1.044 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1286421137 BUDGQVXDXGBVJZ-HXUWFJFHSA-N 443.349 1.987 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccco2)CC1 1286490105 LMGYELDANVHJMO-UHFFFAOYSA-N 435.488 1.262 30 10 IDEE C=C(Cn1c(CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1286616685 BBPLUBJONXDEQE-UHFFFAOYSA-N 436.520 1.021 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1286689178 XTIIOLGWHLXJCA-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286701488 WGOJNUUTXGSLCY-UHFFFAOYSA-N 443.552 1.619 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC)C1 1286820726 PYYSUFNEQBEOLX-HOTGVXAUSA-N 430.596 1.407 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1287143976 DKXDNDNKFRVPJI-HSZRJFAPSA-N 439.564 1.434 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)N2CCOCC2)CCOC1 1288282854 WDSNEPIADKGYEF-DYESRHJHSA-N 434.541 1.306 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)OCC)ccc1F 1288742094 JVPJNOKIGXSNIQ-GOEBONIOSA-N 428.482 1.521 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 1290342096 COKVBOKQQXUUMA-UTKZUKDTSA-N 442.541 1.368 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1296663224 HTTAUMWRMQGOPD-PGRDOPGGSA-N 440.504 1.067 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1300273769 RWFOHPPHPQRLGW-CVEARBPZSA-N 430.578 1.777 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1300496462 RNNYQFDPPWQKIG-IAGOWNOFSA-N 449.964 1.896 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300499886 ZGOKGCHSHTVAMU-WRHNGFHOSA-N 434.587 1.394 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300675376 AUCSJHHPVRKTDS-OZIGNCPNSA-N 434.537 1.426 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(CC)CCC(F)(F)F)CC1 1300695836 MAHJVIKXJKTCLH-UHFFFAOYSA-N 438.502 1.708 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1300730955 HZUYHHYUYJOKEZ-UHFFFAOYSA-N 434.500 1.219 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300734498 VWWXCPOSGCCPAI-HNNXBMFYSA-N 427.534 1.349 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CCOC 1300790464 RHVZVADRVHOEFH-YADHBBJMSA-N 436.520 1.700 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 1300866466 SUFGUAHDXNIJLD-CYBMUJFWSA-N 445.472 1.736 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OCC)CC1 1301484710 LDAJYOFTERYJPI-UHFFFAOYSA-N 443.464 1.434 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1301579108 MPTRDWFNLSRRKM-UHFFFAOYSA-N 447.565 1.077 30 10 IDEE COCCOCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1302229506 GBKVJZJJUVVSDK-MRXNPFEDSA-N 426.525 1.270 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1314545677 JCFZOOPVESLKRY-CQSZACIVSA-N 434.522 1.203 30 10 IDEE COc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)cc1OC 1315403083 HMWHRVOVVHVOQO-UHFFFAOYSA-N 448.549 1.642 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1(C)C 1315715648 GHTWMVBRXUYHDY-DLBZAZTESA-N 437.504 1.666 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)C[C@H]1OC 1316330321 IBPXDJOWZCWARW-KDURUIRLSA-N 436.472 1.690 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316540576 MAZHVZSOIXAJCL-RTWAWAEBSA-N 442.539 1.974 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1358871692 JBUJKSXBDVELBA-RYUDHWBXSA-N 428.465 1.391 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358980886 NYRQHIUVVWVLKD-SFTDATJTSA-N 446.534 1.683 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1358991768 NYUJTATXOQJVIT-UHFFFAOYSA-N 431.500 1.133 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCc1nnc2n1CCCCC2 1359026142 MIPISTZYIAJTSU-UHFFFAOYSA-N 434.548 1.911 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1 1359240522 QDFKDQUUNOUCCD-SJORKVTESA-N 426.587 1.108 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359333306 UBXZCBURYFDJPP-JXFKEZNVSA-N 440.566 1.157 30 10 IDEE C[C@H](C#N)N(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C1CC1 1437467167 FOEICOJVTWESKV-OAHLLOKOSA-N 445.545 1.430 30 10 IDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C1CCOCC1 1437881093 XZGNTJYJXUSFAZ-IBGZPJMESA-N 426.485 1.910 30 10 IDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C1CCN(C)CC1 1462996624 HJJFVTBSEPEBSK-HSZRJFAPSA-N 426.517 1.327 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 1464120243 GLQYCHBTCVTKGU-IAGOWNOFSA-N 434.562 1.334 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3c4c[nH]nc4CN3C(=O)OC(C)(C)C)CC2)c1C#N 1466921910 QPFNNCAFMQQRDB-QGZVFWFLSA-N 440.508 1.464 30 10 IDEE COCCn1nnc2c1CCN(C(=O)NC1CCC(Oc3ccc(C#N)cn3)CC1)C2 1469401305 GJHFEBKDYNPJMB-UHFFFAOYSA-N 425.493 1.649 30 10 IDEE C#CCN(C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1471093829 JPFNFINIAKEITH-XMTFNYHQSA-N 439.578 1.996 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)nc1 1473748086 PLPFATAIBWYEKQ-JOCHJYFZSA-N 440.525 1.230 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(=O)N1CCCCc2ccccc21 1479463346 LPNDGGTWEPYKOL-QGZVFWFLSA-N 433.516 1.938 30 10 IDEE Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492896605 NDJLSBLWDGLXLQ-MSUUIHNZSA-N 431.497 1.170 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@H]3CC[C@H]2C3)n1CCN/C(O)=C1\N=CC=CC1=O 1496788536 OOSVODXKHBPBPD-RPKKRIRMSA-N 441.536 1.712 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1502971158 AXSYNPVRSKVKSI-NMQZXRHPSA-N 444.536 1.704 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1505317508 HLLLAWHIDOKDNV-FQEVSTJZSA-N 432.431 1.297 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCN(CC)CC1 1507535318 XRTZBEKEMITPAV-KRWDZBQOSA-N 427.553 1.491 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507580024 PNJQCVVVTVCIEB-QGZVFWFLSA-N 426.498 1.714 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507590073 BYAJBBKZUKISRE-UXHICEINSA-N 448.637 1.198 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCC 1507644266 DRIICPYAEHSPIB-JOCHJYFZSA-N 443.573 1.819 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1507669443 MIGXOYQMCCEVEE-VGSWGCGISA-N 444.532 1.690 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](COC)C1 1507753765 RIYPPELRQKQZGR-HOTGVXAUSA-N 449.602 1.876 30 10 IDEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507939323 LYJHOWZKCHLTEQ-CYBMUJFWSA-N 448.325 1.149 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1508095168 MGSDEGCIWYABMS-SFHVURJKSA-N 438.532 1.705 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C)n2)C1 1508127247 UGKLDRBTFUGSJL-RDJZCZTQSA-N 437.591 1.969 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1508796678 OPZIGMHQKHMXHS-KRWDZBQOSA-N 440.504 1.607 30 10 IDEE CC(C)Cc1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509173815 ZRPRHLJKJLGEMD-JHBCHSCWSA-N 441.536 1.204 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CC(=O)N2CCOCC2)n1 1511676345 DTAHPMBJZUYOHT-UHFFFAOYSA-N 448.531 1.507 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCN1CCC[C@H]1CO 1513923677 IKRBQELDXBYENS-FQEVSTJZSA-N 438.580 1.671 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1517123547 DBCIMMJIXZZTFI-RTBURBONSA-N 445.545 1.494 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1518637811 FJFNCJPETPFKDY-PZJWPPBQSA-N 438.532 1.973 30 10 IDEE C#CC[C@]1(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1531664950 JSSIARCYUZEVQX-MRXNPFEDSA-N 426.457 1.873 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539210497 CEIBMQZMVLPRID-SCTDSRPQSA-N 448.545 1.525 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539334043 SOBMGALOFQFJDX-QFIPXVFZSA-N 442.541 1.178 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539533678 SJQAPYFMIBCQLL-FGTMMUONSA-N 435.594 1.864 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1539580123 UFFUZINQWBYNSW-AWEZNQCLSA-N 429.363 1.158 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNc1ncccc1C(F)(F)F 1544537911 IOSIAQRCNLHEOB-GFCCVEGCSA-N 441.435 1.867 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1547600227 FLXCWNULFHXEAZ-HXUWFJFHSA-N 430.534 1.166 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccccc2N2CCOCC2)s1 1556673451 AEKXIQWATLAVJI-UHFFFAOYSA-N 449.598 1.950 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1561743818 QDGFQGBMTWDRMY-BHIYHBOVSA-N 426.535 1.875 30 10 IDEE CC#CC[C@@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1563729185 XIFLFPFADYLPNS-SFHVURJKSA-N 426.496 1.516 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1564957847 DTYNCDQTBWCCLO-HOCLYGCPSA-N 443.953 1.956 30 10 IDEE COC(=O)[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccccc1Br 1584136966 DMOHPIHMIXJCKF-KSPIOAOGSA-N 436.262 1.696 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1587766454 VBTOUNYZQKCZBN-HNNXBMFYSA-N 433.500 1.668 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1587922210 VSNMWGBOQPCCBE-QHCPKHFHSA-N 440.548 1.668 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588045641 NREKVSIYLIOXCE-MRXNPFEDSA-N 446.577 1.073 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C 1589216575 RUTPBOASKPEPTE-ABSDTBQOSA-N 439.582 1.274 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1589664223 VZSNCPYGGZAKHM-SFHVURJKSA-N 443.573 1.917 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1593763152 BSOIAMVXCINDLR-RBUKOAKNSA-N 427.553 1.789 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1594783821 JQAMVIRWUZHFSX-CVEARBPZSA-N 429.587 1.732 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595506835 NVVRELNXAOCJJN-CJNGLKHVSA-N 444.923 1.624 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595529686 DIQCTGPJAGKIHJ-GOSISDBHSA-N 436.520 1.361 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595544786 LFOWKRAFZQWDTR-MRXNPFEDSA-N 434.541 1.879 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(F)c1 1595550651 GPUFHQUAAGUQFZ-AEFFLSMTSA-N 447.536 1.963 30 10 IDEE N#Cc1ccc(CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 1615915382 YPCMHQDGPRXUAJ-UHFFFAOYSA-N 426.458 1.849 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)CC1 1617909814 DFJHADQIOOJOEU-VAMGGRTRSA-N 434.537 1.186 30 10 IDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1618521143 IAWFHGMVDYFACL-UWWQBHOKSA-N 435.908 1.437 30 10 IDEE COc1ccc(COCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1619295294 RKRCNJHSIOVFHP-GOSISDBHSA-N 428.493 1.370 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1F 1620305346 XXGOJZNBQBXQJX-HFTRVMKXSA-N 432.525 1.892 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 1621678891 HEVHARMUXZUECO-CQSZACIVSA-N 430.523 1.426 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)n[nH]2)c1C 1623301170 FLKQKGMVCNGQFB-INIZCTEOSA-N 432.550 1.021 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1626655833 MCCRJQNTWXXBDL-SOZUMNATSA-N 442.324 1.743 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)c1 1627431897 BPOAVMNTDKUFJZ-GOSISDBHSA-N 448.541 1.357 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1636958240 OPEGRIHWLQJGHC-KOMQPUFPSA-N 436.534 1.912 30 10 IDEE C#CCN1CCN(C(=O)CN2Cc3cccc(Br)c3C[C@@H]2C(=O)OC)CC1 1643224617 MMQJOTHIOSKUNI-GOSISDBHSA-N 434.334 1.126 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788588 ZAZWMPKLJIOXNA-UHFFFAOYSA-N 438.550 1.740 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1648941710 HERAFLBBMHVCJZ-SFHVURJKSA-N 445.495 1.424 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C(F)(F)F)CC1 1654029084 DVYYBEREADHGTK-WMZOPIPTSA-N 446.514 1.931 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1683869941 DFFXNUFDNHOTHW-IBGZPJMESA-N 433.520 1.348 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1689922567 RSUHFKLZEUPVRK-GOSISDBHSA-N 426.546 1.996 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1689984380 OMBZEAJSBRHZSW-QGZVFWFLSA-N 446.529 1.380 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c(c2)OCCO3)CC1 1690110498 ORZYYOYIGRJGQC-UHFFFAOYSA-N 438.532 1.185 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCC=C)CC1 1690122672 YQLNSLDXEIISCI-UHFFFAOYSA-N 447.543 1.540 30 10 IDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690289467 AHPAGPBWMBVFCH-UHFFFAOYSA-N 446.502 1.896 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1690661839 IREVAKXZWNATGP-CQSZACIVSA-N 429.477 1.264 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1690670788 IWCKKLHUGGYCII-FQEVSTJZSA-N 446.596 1.413 30 10 IDEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@@H]1N1CCOCC1 1694911573 LVPSPDUQFXFMGF-APWZRJJASA-N 441.536 1.476 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1696592687 MFGRYGHORWTMSL-HXUWFJFHSA-N 435.532 1.372 30 10 IDEE NC(=O)CCC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1698504195 RQQIRRLTOONICP-ZZEZOPTASA-N 427.509 1.164 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1705674641 NJLYUYCOMHAGBQ-MBOZVWFJSA-N 437.566 1.030 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705738865 MWKIKJOFZAGMFO-KRWDZBQOSA-N 434.566 1.327 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1 1705786476 OWJXSTPFLAGDJY-HUUCEWRRSA-N 426.587 1.582 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1705892636 UUXBLLNXHWFBTQ-UHFFFAOYSA-N 438.532 1.834 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCS(=O)CC1 1705937869 GZZPDMHZYMKWFY-UHFFFAOYSA-N 436.603 1.623 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711074046 RGUYPIHLBGPOSH-LQTLECTNSA-N 447.499 1.816 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CCCCCO)c1 1712878792 RUCGBJLMGRSRQM-UHFFFAOYSA-N 437.548 1.380 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1722365012 JZEFYXWXTHXJMK-GOSISDBHSA-N 431.562 1.563 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cnnn2C)CC1 1722434188 MGSGUCXDHAXOCW-UHFFFAOYSA-N 447.366 1.701 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722486758 CZVAMJMQAKUDCY-CQSZACIVSA-N 432.388 1.905 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cs2)CC1 1722697228 HOZFDMICVUMFSL-UHFFFAOYSA-N 427.538 1.072 30 10 IDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n[nH]1 1725452879 GGXDKPQYSWWRFE-ZIAGYGMSSA-N 442.549 1.744 30 10 IDEE CO[C@@H](C)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1729844146 PNKJCJXMTGRPKJ-NYHFZMIOSA-N 442.520 1.889 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1730497468 GZPYNSYAJOAPMM-HOTGVXAUSA-N 430.440 1.354 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1730942683 CPFOOBSHQKCNDA-SQNIBIBYSA-N 437.566 1.567 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1COCCO1 1740560809 PXTQRBGYPMHLLH-RBBKRZOGSA-N 438.576 1.516 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1OC 1740591959 ROSPLCXISGKFFM-GOSISDBHSA-N 432.546 1.601 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740621723 OKGWUQRXCRPVNT-GHTZIAJQSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1740621772 PABOWGODGFYTQE-MRXNPFEDSA-N 444.517 1.093 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740636768 CDOBTHBBOUDDOY-UHFFFAOYSA-N 441.543 1.393 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1740639214 SXCUMLZWIMSZCY-PMACEKPBSA-N 426.542 1.511 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC1CC1 1740658928 RNEGXOCBGIPPRE-UHFFFAOYSA-N 428.562 1.427 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@H]1CCCC[C@@H]1C 1740685529 HZLVDDTVTUYKBO-OTWHNJEPSA-N 438.594 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1740704360 LZKDBKIVLHGJNL-IRXDYDNUSA-N 425.537 1.460 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740955548 XMIVKDGPHSGESZ-IBGZPJMESA-N 435.532 1.277 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1740956543 MOECCWVEZZIUIC-AWEZNQCLSA-N 446.939 1.872 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1740961899 LTFDLQZZIRSNBU-HSZRJFAPSA-N 436.491 1.803 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740999571 CHTOFWDRNKUCIH-OAHLLOKOSA-N 437.595 1.420 30 10 IDEE Cc1ccccc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1742438165 OJIAXRJBKLDSLW-XGIGFIBQSA-N 449.515 1.700 30 10 IDEE CCc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1744356195 CVVVUKIHAROXPH-MOPGFXCFSA-N 429.546 1.714 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCCn1cnnn1 1748798500 CDSQUTRGWGOSIZ-UHFFFAOYSA-N 431.298 1.766 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748811506 IDDRNUJNQLKJPE-YQVWRLOYSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748812104 PXTRHVWVVOWGSW-GOSISDBHSA-N 443.577 1.238 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748815718 SYOVCQWZHAHGFD-GOSISDBHSA-N 447.605 1.869 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1748817073 DRUKCXBYRRMZSZ-LZNRXBQRSA-N 444.557 1.316 30 10 IDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1748935946 HGSDXGUIUOYLJI-UHFFFAOYSA-N 431.562 1.567 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1748951386 UONFNLYJQWALRL-KBPBESRZSA-N 431.509 1.410 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)CC1 1748980014 WDGLXAUOEICLRJ-UHFFFAOYSA-N 442.589 1.751 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC(=O)NC2CC2)CC1 1749010732 WDQLAYWGCMNQKD-IBGZPJMESA-N 442.564 1.544 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749170573 PMIYYKQXGCXXGL-HZPDHXFCSA-N 427.571 1.486 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1749251388 DKVREGLHSYRDDY-LBPRGKRZSA-N 443.961 1.890 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1749657916 FUXAMSBFHDHNGS-WBVHZDCISA-N 444.536 1.516 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749670580 VAGMFKBNILSLMY-UHFFFAOYSA-N 426.569 1.902 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1749677591 DYAQFHCWVREVBF-UHFFFAOYSA-N 436.438 1.756 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1749729421 JBHNFSGCQXPWST-HNNXBMFYSA-N 433.509 1.496 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749773962 WWAHJCXEIGEUDF-HNENSFHCSA-N 443.552 1.549 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749822007 MRPSCWNETYKIRQ-QZTJIDSGSA-N 438.598 1.972 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1750147383 MUEVUUHBHLUGJZ-FIKGOQFSSA-N 446.552 1.414 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1760162783 GLROCEBEBVSQMV-QAPCUYQASA-N 434.566 1.269 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1760174012 CGDAMRKQUHGYLC-HUUCEWRRSA-N 431.509 1.506 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1760249778 SWMMBQOUQBEQJL-HNNXBMFYSA-N 449.508 1.044 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](COC)C1 1760555309 BWNNHKMUAYTINC-CVEARBPZSA-N 425.555 1.083 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1761207753 WNNHUJKETAMKSB-NRFANRHFSA-N 428.493 1.704 30 10 IDEE Cc1cn2c(n1)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)CCC2 1762196664 UPCSCRNJPJFURR-NVXWUHKLSA-N 446.581 1.711 30 10 IDEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCOCC1 1770073627 VOUQVEKKBQEQBR-GOSISDBHSA-N 446.552 1.571 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)c1 1771350948 GBBUKOWMBHSPCS-PXNSSMCTSA-N 433.509 1.817 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2cccnc2Cl)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635830 NKBKPAJGELWPES-ZDUSSCGKSA-N 432.889 1.597 30 10 IDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1856161139 YAXZRMVHDIFBSG-SFHVURJKSA-N 436.578 1.191 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN1CCCC1=O 1856998817 NLGYDPFBJGOIPD-INIZCTEOSA-N 431.514 1.454 30 10 IDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 1866627900 XAEOQGLIRFWWPP-IBGZPJMESA-N 442.497 1.218 30 10 IDEE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)nn1C 1867104273 YYFNPNGTTSWKLC-SFHVURJKSA-N 437.431 1.836 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)CC1 1889436512 BZMGQSNMISOUAX-UHFFFAOYSA-N 438.576 1.608 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060623745 QGNDDPDNSWSOEZ-KRWDZBQOSA-N 434.342 1.530 30 10 IDEE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060633815 RUDUOUQWADGJMC-TZMCWYRMSA-N 436.318 1.643 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2124533215 BOAAFZIVTZKGLF-ZFWWWQNUSA-N 448.329 1.332 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248396671 CJHDFQXBARPUNN-GFCCVEGCSA-N 436.343 1.504 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248473579 JYXOTHDGHKEZIM-AWEZNQCLSA-N 440.371 1.939 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)CCS(=O)(=O)C1 2251309945 CSGHYHFSGIZZGC-RQMBKDMJSA-N 444.359 1.372 30 10 IDEE C#CC1(N(C)C)CN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 2251740194 SDDFBZSYXCIOGX-SFHVURJKSA-N 429.517 1.789 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255643737 XAQDEROUPHAZJR-GHMZBOCLSA-N 447.288 1.971 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255827155 VTIJDOFAWHPPCL-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE C[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255843509 HXYFUBQEICBHBX-ZYHUDNBSSA-N 447.288 1.971 30 10 IDEE Cn1cc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2256881934 CSEHPZQQRKBPBH-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE Cc1ccnc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267150976 GQYFNRFBJUMUBT-GJZGRUSLSA-N 447.341 1.399 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267192654 UMNWTSHKTYEVDI-MIFYACCESA-N 446.357 1.623 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267265836 LCOLAGKTCINDSB-SJORKVTESA-N 447.341 1.745 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267271200 QMSKGPNXFDLIEC-IAGOWNOFSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267278313 AXWIKWJIFIMVBV-HZPDHXFCSA-N 447.341 1.793 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510188 HAUXTPCVVJOFRC-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2267561884 VTXOKWABDYEPDJ-UHFFFAOYSA-N 448.373 1.596 30 10 IDEE C[S@@](=O)C1(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282831474 LAQKIXULWKUISZ-RUZDIDTESA-N 439.817 1.890 30 10 IDEE COc1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339784705 DTWCFBGCTBSHSW-JKSUJKDBSA-N 449.357 1.594 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371197964 WPZNLJDGDZLNJB-RXVVDRJESA-N 436.530 1.918 30 10 IDEE CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 14030419 QMMDSZFDMJEVOT-UHFFFAOYSA-N 449.558 1.810 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1 97656234 OHTTWFGGKUMFGW-AVKJRPAMSA-N 449.529 1.318 30 10 IDEE CN/C(=N\CCO)S[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 105615140 IKUIOAYLJNSECN-LLVKDONJSA-N 433.271 1.224 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)C1 219963476 DRIHBVZDQNBVIB-MRXNPFEDSA-N 426.864 1.924 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 409837483 TYXFQOJNWCNYRV-SMDDNHRTSA-N 425.454 1.573 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CSc1nc(C)c(C)c(C)c1C#N 439949611 XKBZLEYVKGKEIZ-AHCXZYCDSA-N 431.514 1.922 30 10 IDEE COc1cccc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 446447645 YWENQZHWOMQJKP-UHFFFAOYSA-N 442.497 1.347 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(CS(C)(=O)=O)c1 464957647 GUQNVNGWYSJLLG-HNNXBMFYSA-N 428.518 1.313 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 478750598 ZWLXKVRJAGDBIP-UHFFFAOYSA-N 437.500 1.597 30 10 IDEE COc1ccc(C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 481777964 KBOVFDURGMTMLG-HUUCEWRRSA-N 431.514 1.990 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ncc(Br)cn1 486386147 GUYAOKCCBHVQCO-GHMZBOCLSA-N 438.307 1.655 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1C#N 489046432 BMSAXSAAPQVTFL-UHFFFAOYSA-N 433.921 1.860 30 10 IDEE CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCC[C@H]1N(C)CC(=O)N[C@](C)(C#N)C1CC1 495414519 IPBWZQYDCMYQGH-WNXIRNOKSA-N 442.608 1.778 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cs1 503049597 CVQNLCGFGANWEV-GOSISDBHSA-N 442.563 1.546 30 10 IDEE C=CCN1CCC(NC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 508499680 XMOLPZVXRUMYDR-HXUWFJFHSA-N 443.596 1.202 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)CC2)n1 513670236 VDRSNIWHJTWJOA-SFHVURJKSA-N 440.529 1.248 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cs1 516373703 HTHWOFKJOUFYAO-UHFFFAOYSA-N 440.525 1.839 30 10 IDEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 570669830 ZDIYKBCPJGDLOK-UHFFFAOYSA-N 428.337 1.992 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cc1 603797620 DXXCLOFGWCUFCJ-LJQANCHMSA-N 437.565 1.777 30 10 IDEE CCOc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N(C)C 609256043 SZFGZEWXKBCFTP-UHFFFAOYSA-N 448.476 1.601 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)CC2)nc1 611623921 VLUKTZWVNWIVKV-UHFFFAOYSA-N 432.550 1.178 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 704567456 MUVXQNFGXYVFMF-ABAIWWIYSA-N 441.344 1.963 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1ccccc1 729669514 PZPLOPXZHUJUMF-OAHLLOKOSA-N 429.505 1.416 30 10 IDEE COc1ccc(Br)cc1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 731851010 CKDBCQNXGORBOA-CCEZHUSRSA-N 430.280 1.262 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCCCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 732650413 QMMIPNXMYJZYBV-SZPZYZBQSA-N 440.592 1.725 30 10 IDEE Cc1ccccc1S(=O)(=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733853066 DGQUZHCDRFRFGZ-INIZCTEOSA-N 426.454 1.577 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2ccccc2O)c1 737250755 QTHARZWBHUFAHB-CLCOLTQESA-N 444.513 1.502 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3c(Cl)nc4ccccn34)cc2C1=O 746451944 WMYHNXCQYKSHEX-UHFFFAOYSA-N 444.856 1.888 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C#N 747495942 VIJADMXZTISDRO-UHFFFAOYSA-N 442.497 1.606 30 10 IDEE Cn1ncc(Br)c1/C=C/C(=O)c1cccc(S(=O)(=O)NCCC(=O)O)c1 782303714 OAFJDUVSBLGTGH-AATRIKPKSA-N 442.291 1.832 30 10 IDEE CCOC(=O)c1ccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 784238647 RSHWHSFQTPIMSF-AWEZNQCLSA-N 444.465 1.828 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)CCCCC1 785527103 GMURBVUWAQFERU-UHFFFAOYSA-N 426.564 1.260 30 10 IDEE Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 786538695 BFNMUUYLYFFTGD-IRLDBZIGSA-N 444.491 1.796 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(Br)C1 809926424 LWYKCPRVGFGWLB-CQSZACIVSA-N 446.371 1.676 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 858069603 MZTXRUGOKLUSBV-INIZCTEOSA-N 426.498 1.677 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NS(=O)(=O)c1cccc(C#N)c1 916809013 LFSRUDNTELWWBY-UHFFFAOYSA-N 449.510 1.006 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1129531332 DMKSEEOLCTXAGO-FUHWJXTLSA-N 428.489 1.663 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1)C1CCOCC1 1231333658 ZFKYKKNXEXSSCW-IEBWSBKVSA-N 433.549 1.779 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCN4CCSC[C@H]34)CC2)cc1 1248686030 OMOWVPQNCLCTLO-RBUKOAKNSA-N 449.602 1.154 30 10 IDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1286330110 YIRHLISEOBGOII-UHFFFAOYSA-N 425.533 1.976 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1286382578 SNWDRHCOVRGKPK-INIZCTEOSA-N 440.485 1.193 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(O)CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1286385514 NLDPDZVICMUQNW-GOSISDBHSA-N 437.610 1.264 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1286393353 KJCSHHZIHMIPFY-ROUUACIJSA-N 430.578 1.562 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1286413100 HMPHKCIABYDYDO-IBGZPJMESA-N 445.564 1.864 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1286448430 UWEFJBRXLWMUQP-UHFFFAOYSA-N 438.536 1.754 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1286452662 SFLLOWJKHNRCGE-QZTJIDSGSA-N 444.605 1.795 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC(=O)N2CCCCC2)CC1 1286495448 VYDIQMDKUNXTNN-UHFFFAOYSA-N 430.553 1.183 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286592975 FNPOKDAKIRTBGL-RTWAWAEBSA-N 432.613 1.979 30 10 IDEE C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)CC1 1286621688 HTMJKNSQLLBJCD-UHFFFAOYSA-N 437.957 1.625 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286670342 GUTHWXPKVQJMAV-UHFFFAOYSA-N 440.552 1.912 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1286688624 RQNVSUOLUPNVAD-SJORKVTESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286788889 JOPIPSVVJIEDHM-JTSKRJEESA-N 426.521 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)CC1 1286819837 XJNASDRFONEYMH-UHFFFAOYSA-N 434.566 1.018 30 10 IDEE CC(C)(C)OC(=O)N(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1287047526 FFIWFNPTLSVTMR-CVEARBPZSA-N 445.524 1.357 30 10 IDEE COc1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)ccc1C#N 1297520534 ZILFXSJSNQUQDR-UHFFFAOYSA-N 435.527 1.704 30 10 IDEE C=C[C@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1300210979 MXZGGCHALJADEB-AWEZNQCLSA-N 429.926 1.575 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1300503549 DNNPXESACGQTHZ-IRXDYDNUSA-N 446.529 1.281 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1300631838 WSWYQIHTQCGITD-HXUWFJFHSA-N 445.589 1.876 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1300862760 DOZWADGPVYGGDD-SJLPKXTDSA-N 432.569 1.846 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1300892024 PRKMLNDCXQJPPK-PKOBYXMFSA-N 425.599 1.977 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1301463009 HVTCQOVDYOZJPZ-UHFFFAOYSA-N 436.564 1.693 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 1301506284 IKXNWKMUFMWMNO-UHFFFAOYSA-N 439.564 1.115 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301509894 PFTRXSDVAQXIPY-FQEVSTJZSA-N 436.560 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)CC(N)=O 1301575745 KBOROLUPMZRWLX-CQSZACIVSA-N 431.518 1.992 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1301609770 OBFCTNJBVJIQHI-QGZVFWFLSA-N 432.594 1.987 30 10 IDEE CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1=O 1302585131 DVGQKZYUWXZUAR-QUCCMNQESA-N 427.524 1.679 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)c1 1303391493 UNPXKEAIPUUBOT-GOSISDBHSA-N 427.482 1.696 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1303805234 YEZBMYZUWRVWIG-LSDHHAIUSA-N 434.566 1.902 30 10 IDEE CC(=O)c1c(F)cccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1307395555 GGSBQMPWBCVMQJ-UHFFFAOYSA-N 445.472 1.812 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1314761244 JRVXCVJZEFVUSI-VHEBQXMUSA-N 426.525 1.763 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)C1 1314925915 DOUPFYKKBVIOCX-KNQAVFIVSA-N 426.521 1.411 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1358885148 DSONYIPQMMSIGR-HNNXBMFYSA-N 433.516 1.696 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1 1358948734 JWOXDFNKTQAZRD-IEBWSBKVSA-N 446.577 1.205 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1358959146 CPXKZSBFNRPGRG-KRWDZBQOSA-N 445.545 1.107 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCNC(=O)c1cc[nH]n1 1358998049 NXCBTDUTGGJXIR-UHFFFAOYSA-N 431.500 1.782 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1359031253 VSNWIATYCRXKDY-FGZHOGPDSA-N 448.637 1.123 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1359039365 FXMNAIOJJQBTIT-QZTJIDSGSA-N 438.523 1.241 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 1359070692 RSDWHSVBCSJDQL-GHTZIAJQSA-N 429.546 1.651 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359203326 NEJXLQRWSFQHQH-JKSUJKDBSA-N 436.538 1.806 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1359304846 LGIBZZWTQBNPIB-CQSZACIVSA-N 432.912 1.480 30 10 IDEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359340606 SJZVURVWLVPMIT-AWEZNQCLSA-N 430.509 1.150 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)nn1 1360346274 DNHMIGWJCIOESD-UHFFFAOYSA-N 448.321 1.980 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]([C@@H]2CCCO2)C1 1439561375 CJXISOSRYNUBMU-NEWSRXKRSA-N 449.529 1.451 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)s1 1440676263 MLBKKGWPNMKXAV-GOSISDBHSA-N 449.598 1.772 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(N3CCNC3=O)CC2)C1 1441914271 IQJFVSNRRQRXFZ-UHFFFAOYSA-N 432.322 1.773 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)c1 1447511129 LCNQWVRYMRZFPV-UHFFFAOYSA-N 431.474 1.908 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1465299191 FPPPCJFJPMOONW-MRXNPFEDSA-N 425.445 1.157 30 10 IDEE C#CCC1(NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CCOCC1 1475696706 XZEJCGMYQGHCJD-UHFFFAOYSA-N 429.296 1.351 30 10 IDEE CCN1CCN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CC1 1502356090 JHMSTTCLJGVRSX-QGZVFWFLSA-N 442.568 1.629 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507592597 TVARYKPZLRVCBV-CVEARBPZSA-N 437.566 1.697 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1507616523 KNHUTSLSIHVKBO-IIBYNOLFSA-N 435.525 1.461 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507631602 FPCLDQUBGCZENU-ZBFHGGJFSA-N 435.575 1.476 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2Cl)CC1 1507715403 AEGMOQFPMFHBRJ-UHFFFAOYSA-N 443.939 1.397 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1507734820 ZJUVLLYPLTUBRT-UHFFFAOYSA-N 429.488 1.074 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(C)CCCS2)CC1 1507738523 QOQYZQJSPHMWBV-OAQYLSRUSA-N 425.562 1.987 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507844671 NDRGIVCQVCWTCK-GOSISDBHSA-N 441.536 1.195 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2c(O)nc3ccccc32)CC1 1507881444 NZKZWRPVJSRLAG-HNNXBMFYSA-N 445.549 1.800 30 10 IDEE CC(C)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1509582446 SHEQNUYEGKIPQR-KDDVOAFDSA-N 429.525 1.186 30 10 IDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1510253350 DEFAWBWWCNIJLX-VQIMIIECSA-N 432.500 1.864 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1512427510 USBSFXAHWKWFED-AYAKEVCGSA-N 435.488 1.138 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCCCC1 1521423302 LTTLRENCJJUEII-DXQAYGFFSA-N 448.549 1.087 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3cnc4c(c3)c(C(F)(F)F)nn4C)CC2)c1C#N 1529119331 KWXNUKJDHBNWOU-UHFFFAOYSA-N 432.410 1.863 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1534654581 OGNACJOLXPGZJK-HNNXBMFYSA-N 448.549 1.050 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@H]2C1 1537629644 RWQVSPNGAUPEMB-QZTJIDSGSA-N 448.545 1.721 30 10 IDEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)O1 1538455730 FWHIUWFUIPVYLD-IHPCNDPISA-N 427.505 1.572 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539225634 PWFVSIHGJSMQMJ-YZGWKJHDSA-N 443.573 1.563 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCNC(C)=O)CC1 1539461169 AYOQZOLPBYRDRA-UHFFFAOYSA-N 426.521 1.147 30 10 IDEE COc1ccnc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1F 1539527924 NSAFNBRXZXXHOC-UHFFFAOYSA-N 432.477 1.818 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1540187581 REJVYNJSUSNFQO-GOSISDBHSA-N 429.521 1.989 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@](C)(O)C1CC1 1541673726 ANKZZAAIVINSFD-QFIPXVFZSA-N 438.536 1.171 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547731455 LEKQCNMRYFLCDV-QUCCMNQESA-N 443.621 1.933 30 10 IDEE COC(=O)[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1ccnn1C 1557171841 IQPGVJAUVIOEJC-VQWQTIEJSA-N 431.493 1.537 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)nnc1-c1ccco1 1557897707 SKCIHUZWPUHTIK-WOJBJXKFSA-N 429.502 1.718 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C2)c(=O)nc1O 1558805064 CWHIVSZDWHSVOK-LJQANCHMSA-N 429.436 1.375 30 10 IDEE C#CCC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CC1 1560098404 HIFQTOSBNDZTDU-NBVRZTHBSA-N 445.516 1.828 30 10 IDEE CC(C)(C)OC(=O)N1CCC12CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 1570443533 IZCOKENVBLHNCM-UHFFFAOYSA-N 448.545 1.839 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1588045051 GGDFQPYSRWICSR-GOSISDBHSA-N 443.573 1.797 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCOC1 1588124864 UQXGNGBDTZMOCY-QGZVFWFLSA-N 426.546 1.738 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H](O)C(=O)OCc2ccccc2)CC1 1588568116 ZVUIKSYMOQWOSS-IBGZPJMESA-N 430.501 1.857 30 10 IDEE C#CCC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1588766116 QZQCBFODWAIGCE-ZACQAIPSSA-N 440.562 1.033 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCn2ccnc2C)CC1 1588871966 TYUUQJUQDWGULD-UHFFFAOYSA-N 435.532 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC)OC)CC1 1588884499 CGNIJMDTAXOTBM-KRWDZBQOSA-N 439.520 1.316 30 10 IDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1593740519 BRRXSDQNBXAUHI-OAQYLSRUSA-N 432.613 1.979 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595442117 CELUSVPARBOEKC-SFHVURJKSA-N 428.468 1.949 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595593403 COVMWKYXIOMPAP-QGZVFWFLSA-N 449.602 1.804 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595603101 XTSYRIVFJBBZNZ-NLWGTHIKSA-N 446.596 1.804 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(CCCN2CCOCC2)CC1)c1cc[nH]n1 1597364275 KLIADRURXKEHLE-UHFFFAOYSA-N 435.525 1.045 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CN2CCNC2=O)s1 1597872547 IZGDFDGCYTUVBV-UHFFFAOYSA-N 434.543 1.919 30 10 IDEE CC(C)CO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1607715420 UMGLSICLBDLCHC-BJFAEBDGSA-N 444.536 1.907 30 10 IDEE Cc1nn(-c2cccnc2)nc1C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1611231351 NLTSRBNCNJGFQT-UHFFFAOYSA-N 428.250 1.767 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)C1 1611243822 BVFZIIWTBAXVHN-GWCFXTLKSA-N 428.898 1.627 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1611796095 SKJSSIUVDCOSTI-CWFNNOHCSA-N 430.509 1.661 30 10 IDEE CN(C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1616240052 ZAGHNOHFCHOBJP-KRWDZBQOSA-N 438.550 1.092 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1618594927 AZOOTTFNEUNTLJ-QFIPXVFZSA-N 439.520 1.216 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1620043897 PNUWXIZRPBRLTK-DENIHFKCSA-N 427.505 1.600 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCC(O)CC2)CCO1 1620356652 FELIVSHZZAPTEG-GOSISDBHSA-N 444.511 1.572 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 1625436828 SBVITZRQCHPWMZ-AVRDEDQJSA-N 447.557 1.978 30 10 IDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCN(CCC#N)CC1 1626098291 BKIFCYWACQQPDT-UHFFFAOYSA-N 435.550 1.333 30 10 IDEE Cc1nc(CN2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)no1 1627004111 QZQHUOBABMNYIJ-PSCUFVCCSA-N 444.536 1.809 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1627256441 XDGJRXGRZVOXDM-ZWXCPPHNSA-N 433.461 1.460 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331004 INZLHHLROVUEML-MRXNPFEDSA-N 429.521 1.634 30 10 IDEE C=CCOC[C@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1639557995 ADOKZLPGWKOUAW-DOMZBBRYSA-N 448.335 1.719 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C2)c(=O)nc1O 1648028492 CTNICUGFPWDQMS-UHFFFAOYSA-N 441.245 1.466 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(C#N)cn1CC 1662775269 BMARZSNJMUGXOC-LIRRHRJNSA-N 438.506 1.414 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1)c1ccc(Br)cc1 1683680972 JHEDULZVJNPJGU-INIZCTEOSA-N 443.367 1.693 30 10 IDEE C#CCN(C(=O)N[C@@H](CC)CNS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1686514750 LVBSXRNZDOMLRU-HNNXBMFYSA-N 430.571 1.359 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1689926266 LLNLKUAIPPURPT-UHFFFAOYSA-N 435.488 1.302 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CCc2ccccc2)C1 1689946262 NWJKSYGFIQHBLI-UYAOXDASSA-N 444.605 1.522 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(=O)(=O)CC 1690011939 KARXOKICVHMOJP-UHFFFAOYSA-N 438.557 1.839 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1690077027 HBCQQJYRHCKHEF-KRWDZBQOSA-N 448.568 1.914 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1690102640 QUVFEWCLZXNXOP-MOPGFXCFSA-N 428.512 1.757 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC[C@H]2C)CC1 1690148400 FVHWMXQBHVOJQY-QUCCMNQESA-N 436.560 1.902 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](c2ccnn2C)C1 1690659389 RCWNTGCIDCCLFN-INIZCTEOSA-N 442.568 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC 1690724238 KSGANZVUBSLLJN-CQSZACIVSA-N 445.542 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1690729525 OVYLAFCGYVURES-RTBURBONSA-N 448.593 1.888 30 10 IDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1692880306 RFFCJCXLGSSYHI-LEWJYISDSA-N 426.452 1.976 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1694221894 BUYQXKJGPASSTA-VQIMIIECSA-N 437.504 1.762 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCNS(=O)(=O)CC 1705544110 FGCNPZQNCZGRJN-UHFFFAOYSA-N 443.371 1.445 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705565391 UNAZQIJEFCHMNF-KRWDZBQOSA-N 431.537 1.807 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705566958 SHVAEGRBJWEREL-CQSZACIVSA-N 446.455 1.232 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1705568758 UUOUWGOECWBAGD-IAGOWNOFSA-N 448.545 1.527 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1705585459 FCJCHKMPFMFKLO-UHFFFAOYSA-N 432.484 1.050 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1705700843 YZUNFEALVGTBHU-MHORFTMASA-N 439.582 1.438 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1705751916 BWMKSQGQBMFYCX-CYBMUJFWSA-N 437.957 1.658 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705904572 SCLVHQKDOIUECZ-UHFFFAOYSA-N 425.537 1.204 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@H]2OC)C1 1705928715 HGDKQZVNQNCCLV-VAMGGRTRSA-N 430.553 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1705933541 KQXFTZOQOVFQHZ-HOTGVXAUSA-N 442.549 1.756 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1705943517 CSIGIWYYGVWZOB-SFHVURJKSA-N 434.610 1.697 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705991683 DLAALDHGZQUJEJ-ZZEZOPTASA-N 427.509 1.131 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1708264026 CXOVZGUVLFZHPA-DLBZAZTESA-N 441.536 1.150 30 10 IDEE CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1708766830 FLUDWXKRZGABMP-HZPDHXFCSA-N 447.540 1.546 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](F)COC)CCN2C1=O 1710172865 HWRTXUILKLYIGC-IRXDYDNUSA-N 441.467 1.274 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1711165771 APUYZWNMAYUNIJ-UHFFFAOYSA-N 448.549 1.201 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C1=O 1711271015 QQUAQUZPCFYLJH-FQEVSTJZSA-N 430.534 1.166 30 10 IDEE C#CCCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722340946 NJJZXNVWUWMASK-IYBDPMFKSA-N 437.566 1.697 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1722359587 UTDBYRSSZZYUTE-SFHVURJKSA-N 433.578 1.934 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722363789 CFAFHDTYQOCMBY-HXUWFJFHSA-N 447.580 1.975 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1722372610 ATPZDYTZKDWWBL-CYBMUJFWSA-N 439.463 1.621 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c(CC)nn(C)c2OC)CC1 1722436978 OEZKWXMWOJOUKO-IBGZPJMESA-N 427.553 1.628 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722527925 TWTNZRFXWPNWFV-NRFANRHFSA-N 434.541 1.820 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1722690267 CXKFQWYGADOWQN-JOCHJYFZSA-N 432.569 1.251 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC#N 1723666500 DBHLGUNNRASXNR-MAUKXSAKSA-N 448.549 1.857 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1726445426 DYBFURLHESHGNQ-OAHLLOKOSA-N 433.472 1.507 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1COCCO1 1727014727 ZFFCXOAEIYVQRJ-IXDOHACOSA-N 426.525 1.584 30 10 IDEE CCOCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(C#N)o1 1728997269 RXNYNZBVLYUHOQ-HOTGVXAUSA-N 430.509 1.695 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1729734134 MIQJIHGGYVPRFV-UHFFFAOYSA-N 437.504 1.537 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1740631367 QUOGJPCTYCYBGA-GOSISDBHSA-N 439.491 1.879 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1740668806 ANYXKLVDWATLMK-MRXNPFEDSA-N 433.516 1.803 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1740674785 SWSBRPNMIMJERD-UHFFFAOYSA-N 427.505 1.607 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1740697274 YBVMCNBTLFOJHG-VQTJNVASSA-N 448.637 1.436 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1740701385 FMDFWIWYGUCVEE-XMMPIXPASA-N 448.527 1.588 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740791716 BBONFKTXUFWQGX-KRWDZBQOSA-N 444.536 1.903 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740955988 KCKWJPMTJWSGOZ-UHFFFAOYSA-N 425.537 1.831 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1740990593 WRACHHCNAIEXJS-UHFFFAOYSA-N 449.581 1.020 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1741885672 MQTMKMMCXLVMHV-KRWDZBQOSA-N 428.562 1.948 30 10 IDEE CCOCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1747146644 OYRWPTMHHFTZJF-IBGZPJMESA-N 446.577 1.695 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1 1747437466 MDDKSEWHJFNNCF-UHFFFAOYSA-N 434.570 1.209 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1747705091 XGBWSELPZKMEBE-GOSISDBHSA-N 433.472 1.647 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1748765835 VZPGBFZNSLINCR-LQBOVUBWSA-N 428.537 1.901 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748822149 YXXFIFFYHMEULI-YLJYHZDGSA-N 434.587 1.827 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748824250 MMRBGHMVBVDPNT-INIZCTEOSA-N 437.591 1.757 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCSC2)CC1 1748993497 ZQRNVTMNESLREC-OAQYLSRUSA-N 433.528 1.770 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)SC)CC1 1749001269 OPGGCQDWTYDNFD-HNNXBMFYSA-N 441.561 1.643 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1749043081 DTYHOKALWFRYDL-UHFFFAOYSA-N 440.573 1.799 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749207942 VWQCNYUVBISLJO-IIBYNOLFSA-N 444.540 1.427 30 10 IDEE C=CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749627122 DUKMNKKMIOQBOH-BRWVUGGUSA-N 449.552 1.939 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749670888 WJNROPNYXNFRKB-UHFFFAOYSA-N 438.598 1.536 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749721313 GQSOZMLNCSSFRG-UHFFFAOYSA-N 447.561 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)OC)CC1 1749730665 MJPUQLWQMZFFAJ-UHFFFAOYSA-N 433.534 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749738798 XYERVRXYLRUFGT-HXUWFJFHSA-N 445.589 1.769 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1749911704 PFUKOCJYCKHDTD-UHFFFAOYSA-N 448.531 1.578 30 10 IDEE CC(=O)NCCCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1750040007 SBUYKQUIVGVZMI-MRXNPFEDSA-N 437.552 1.839 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC(C)(C)O1 1752311397 AEUYJNIDAUWWON-HNNXBMFYSA-N 434.504 1.974 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760191513 ITURBEUCEIOQQG-QZTJIDSGSA-N 431.562 1.384 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCCO1 1760196964 NWWNKIAAIIQVDB-QFIPXVFZSA-N 441.557 1.837 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1760242474 DVPUAFKUWQZMRZ-HTAPYJJXSA-N 440.504 1.350 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N2CCCCC2)CC1 1760257301 TTYWWNORVWQZSR-HSZRJFAPSA-N 444.580 1.088 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760347731 RYWUHUFIRHKTOL-MRXNPFEDSA-N 426.525 1.374 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760380466 CVNWBSCYWGFGED-FHWLQOOXSA-N 439.004 1.971 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760451018 YCQPYWSTKCTWON-JTSKRJEESA-N 446.552 1.927 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC#N)CC1 1760523659 DWTRVHOEHAMZNT-UHFFFAOYSA-N 449.563 1.884 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncn(C)n1 1760695827 ARQYGHNRZCTJLU-LJQANCHMSA-N 448.579 1.415 30 10 IDEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(O)CCS(=O)(=O)C1 1762646148 HICILYHJYKUJFL-HRAATJIYSA-N 447.561 1.565 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766828854 RTBLHSBTAHZEIA-XZHYIPMRSA-N 444.536 1.704 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCOCCS(C)(=O)=O 1767088255 OEMRFBPXBSXGNG-UHFFFAOYSA-N 428.518 1.842 30 10 IDEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCNC(C)=O 1767923938 BBTNNTRDKLFBDL-UHFFFAOYSA-N 439.564 1.925 30 10 IDEE CN(C)CCN1CCC(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1768514007 GDWWUWBEZYDQDY-OAQYLSRUSA-N 427.532 1.451 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768634479 QWNKBCSLMXYJOP-NQIIRXRSSA-N 445.545 1.230 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 1849615523 SNAHRDFWPXPFHM-QGZVFWFLSA-N 427.530 1.586 30 10 IDEE CS(=O)(=O)c1ccccc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1851788781 QJOSCKSNOZTZEF-IBGZPJMESA-N 444.509 1.898 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N2CCOC[C@H]2C)cc1 1852540515 QKOUTVDTWIJEKK-IIBYNOLFSA-N 443.525 1.704 30 10 IDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1I 1852755911 UUVCDPVPWZTHGC-ZDUSSCGKSA-N 433.271 1.915 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 1858647395 CCYOPNAESSBUIS-UHFFFAOYSA-N 448.457 1.707 30 10 IDEE C=CCN(CC=C)c1cc(N2CCN(C(=O)CCN3CCOCC3)CC2)nc(CCC)n1 1869224457 MRTALNHOFCMCDE-UHFFFAOYSA-N 442.608 1.978 30 10 IDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCc3ccccc3C2)n1 1871507830 ZVSGRWLDEBAXFV-UHFFFAOYSA-N 437.529 1.845 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)c(OC)c1 1874436295 UWMLZKBMGMDOGD-UFFVCSGVSA-N 435.506 1.859 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)CC1 1889674907 KMZLWONVDVHZLX-UHFFFAOYSA-N 449.617 1.814 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccco4)nn3C)CC2)CC1 1890099986 DBMIUUOGOKKREE-UHFFFAOYSA-N 425.533 1.552 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2060624713 BGBFSZUICMMCBO-HNNXBMFYSA-N 437.346 1.935 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1sccc1C#CCN 2164486110 DTRVWPUCXNRIFH-HXUWFJFHSA-N 449.529 1.502 30 10 IDEE CN(CCN1CCOCC1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2172778598 RMRHVVLFRMEJLU-UHFFFAOYSA-N 426.164 1.912 30 10 IDEE CC[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2243686209 JGFDDZKDTPZMGX-NSHDSACASA-N 426.348 1.843 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2247834236 SLRKGVXJULOOSS-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE Cn1ncc(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542321 PUDJHWRNHGQXFG-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CC[C@H]1OCc1ccccc1 2255880847 LVQQUKDELNJZNH-DLBZAZTESA-N 426.326 1.934 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256612490 FECXCJNMLJMUCD-LSDHHAIUSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2256627522 VVSUJJDLWWGSRG-OAHLLOKOSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256724514 LXXBJJVQVNDBAT-GJZGRUSLSA-N 437.346 1.982 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2257483528 IAUQPZYFKNXVKT-INIZCTEOSA-N 438.305 1.627 30 10 IDEE Cn1cc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267194729 GDCZMFJTXVWJBV-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267495401 LSJFDOWNNVBFCT-BPUTZDHNSA-N 448.325 1.943 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)n1 2267496058 UGSBNPYFBSVGIX-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CC2 2267496322 XQEHCJABLZZLRG-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267503862 KICGUPPHWWJSLU-ZNMIVQPWSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267613855 GFJDTYRAXCMAPO-CVEARBPZSA-N 447.341 1.481 30 10 IDEE COC(=O)[C@@H](CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2268668249 CWFWCMYCIJKUER-CQSZACIVSA-N 449.313 1.776 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(C)c1cccc(C#N)c1)NC(=O)OCc1ccccc1 2286023556 YXUTWKOBJWHHAV-SFHVURJKSA-N 431.470 1.792 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300304144 LIZRRIGUWWDQHS-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2310482611 MIYBPGQTNBDOHX-BZUAXINKSA-N 440.346 1.268 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2337289626 KYNYUANVMSQBRJ-AWEZNQCLSA-N 445.329 1.304 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2341157700 KICGUPPHWWJSLU-SOUVJXGZSA-N 446.357 1.847 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)Nc4cc(C)on4)CC3)cc2C1=O 21127376 WXPNTYUKLVXBED-UHFFFAOYSA-N 437.456 1.162 30 10 IDEE Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)c(=O)c1C#N 21354781 CRCISAIUSWBJCD-UHFFFAOYSA-N 435.484 1.313 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 27771645 FNCCZRPLQKHMLB-FQEVSTJZSA-N 441.576 1.960 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2ccccn2)n[nH]1 59888144 HFLCVFLABDICSO-RGVLZGJSSA-N 429.510 1.572 30 10 IDEE CCCC/C(C)=N/Nc1nnc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)[nH]1 253576317 VRDUMCSBFUUDFC-PXLXIMEGSA-N 438.602 1.544 30 10 IDEE C=CC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 410069524 RRMHQNHPKPUSPX-ZFWWWQNUSA-N 431.352 1.903 30 10 IDEE CCO[C@@H]1C[C@@](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)(C(=O)OC)C1(C)C 444760681 KOLRCPTZBXYMNR-AQOAWAETSA-N 448.589 1.793 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460773950 WJKUYKJKGIXPPD-INIZCTEOSA-N 427.571 1.583 30 10 IDEE COc1ccc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1OC 472127895 KFCGWDSSAJAGCW-UHFFFAOYSA-N 433.461 1.861 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c(F)c1 473445328 SPYPZWBMCWIBLL-CVEARBPZSA-N 435.408 1.542 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cc1 478742450 FEYVDWRIFXBCCU-MOPGFXCFSA-N 438.549 1.896 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 487181250 OAELHUJJAGCHDY-HXUWFJFHSA-N 429.484 1.458 30 10 IDEE COCCc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 494338917 CFJWCFADVMEMNX-UHFFFAOYSA-N 432.506 1.019 30 10 IDEE Cc1ncc(Cn2c(=CC(=O)C3CC3)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)cn1 504416443 PQIVZNLIRWSRCE-UHFFFAOYSA-N 438.459 1.795 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccc(Cl)cc1 540696044 HLEKPWBZVQWRNG-UHFFFAOYSA-N 440.912 1.514 30 10 IDEE CCn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555033119 WUTRRRRRBZWFPM-INIZCTEOSA-N 448.549 1.405 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 558672205 FVJONTWOMOJLGF-UHFFFAOYSA-N 441.488 1.756 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccn4)n3C[C@H]3CCCO3)CC2)c1C#N 568300973 QVOPTFNKKGRYHR-LJQANCHMSA-N 447.547 1.683 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 581203800 FQJLFRJRQDCXDR-LAUBAEHRSA-N 449.559 1.785 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cc(Br)cn2C)n1C 583231805 PBULYILCFRPWAH-LBPRGKRZSA-N 442.325 1.960 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCO3)CC2)c1 583825417 OMBBVWNUFWXDTK-ROUUACIJSA-N 425.493 1.138 30 10 IDEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 585673660 NSRPCVABRHIPGG-RBSXFLGJSA-N 431.452 1.900 30 10 IDEE CC1(C#N)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 611555822 HEVSTRHBYOVFKC-HNNXBMFYSA-N 440.547 1.310 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccccc1C#CCCO 703979339 BUSJVWFAWRMVDS-UHFFFAOYSA-N 426.494 1.526 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(C#CCCO)c(F)c1 703988123 AWXIXQSXBDASJJ-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 734293411 UVFHQZWNJRNQPM-UHFFFAOYSA-N 436.511 1.934 30 10 IDEE Cc1cccc(N2CCN(CCCNC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 735844274 DRQJCZGVKVARJN-GHVJWSGMSA-N 425.533 1.540 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 739856294 GBVTZLXWWCGNQT-KRWDZBQOSA-N 425.537 1.242 30 10 IDEE CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)s1 758554577 AFWJQRYKICCFEP-AWEZNQCLSA-N 444.582 1.450 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1cc[nH]n1 772464027 YSXGWHUHTQMLBF-VQIMIIECSA-N 433.896 1.909 30 10 IDEE COC(=O)N1CCC[C@H]([C@@H](C)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 775811876 NAZUYBRCRPIGOB-SLYNCCJLSA-N 445.539 1.991 30 10 IDEE N#Cc1ccc(NCCNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)nc1 780820023 AUXMLPHSOWIDPD-UHFFFAOYSA-N 426.502 1.151 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)cn1 790021902 OVIWPXASSOZRPS-INIZCTEOSA-N 449.577 1.395 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccc(F)cc3)c2=O)cn1 794591864 FDUQQWIYGVDFIB-OAHLLOKOSA-N 438.484 1.270 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CC(c4ccc5c(c4)CCO5)=NO3)CC2)n1 802333417 LUQOVQCDFBIKEE-LJQANCHMSA-N 432.484 1.913 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 805784832 SXUJUBBKAJMWCP-SVFBPWRDSA-N 448.589 1.302 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@]3(CCCOC3)C2)c1 806217423 HAOMIYKKWUDGDL-WDWWVRLLSA-N 436.534 1.913 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 809887401 WVSNETYRETUHII-KRWDZBQOSA-N 434.541 1.877 30 10 IDEE C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cscc2C#N)C1=O 814611927 HNKRITVUIMKNTR-FQEVSTJZSA-N 426.454 1.751 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)ccc1F 856607885 SAIILKLKORAARR-DLBZAZTESA-N 446.504 1.281 30 10 IDEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)c1ccccc1 1136769293 HLFLJGJIDHYWLF-SFHVURJKSA-N 441.509 1.820 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)COCC(=O)OC(C)(C)C)c1 1264633767 DARJJFLTHKCCIJ-PGMHBOJBSA-N 425.507 1.796 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2CF)c1 1286311336 MIALPLOTVFSXAF-SOLBZPMBSA-N 445.520 1.767 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286393963 SJIUVFAYPHLHSV-GOSISDBHSA-N 445.520 1.215 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1286408306 BTMLWHBJMLMIKA-LSDHHAIUSA-N 433.559 1.465 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cc(C)cc(C)c1 1286466704 IVGITTBBGSPTDB-IBGZPJMESA-N 446.573 1.962 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1286476689 DWZLYKHLJTXPPY-GOSISDBHSA-N 442.568 1.737 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)s2)CC1 1286479607 HTQCDTSYQZQEJF-AWEZNQCLSA-N 439.994 1.699 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286706846 UZLRAWBQDCVLRC-HOTGVXAUSA-N 425.493 1.233 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286816272 DXFKSXYOKIHRDP-OAHLLOKOSA-N 447.627 1.253 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1291077633 DSXZQDJUHHYNBE-IERDGZPVSA-N 444.561 1.449 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)[C@@H](C#N)C1 1294435952 KQVMYESKLAOKKQ-YZVOILCLSA-N 443.422 1.769 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1298781669 FQQMKYVJRMUWEI-FQEVSTJZSA-N 433.534 1.371 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1300380942 KMEBOIXNLIHGMZ-GOEBONIOSA-N 435.554 1.452 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1300393037 RSVGMJWAEUNLJZ-LJQANCHMSA-N 447.488 1.524 30 10 IDEE COc1ccccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1300473654 HRGCFWNRBNZJSH-OAQYLSRUSA-N 445.545 1.633 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300489959 WLQBLQSCVYRPBU-KNQAVFIVSA-N 444.557 1.286 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1300489961 WLQBLQSCVYRPBU-UGKGYDQZSA-N 444.557 1.286 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300682360 KPGVFTMTVQHUPK-HNNXBMFYSA-N 431.447 1.105 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)NC(C)C)CC1 1300703349 HDCWAUNDASDEEQ-UHFFFAOYSA-N 448.568 1.091 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC[C@@H]1C 1300812426 VCWRMEMCJQLWNY-QFBILLFUSA-N 447.561 1.739 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300888596 LBGRFLSKJZWASB-NSHGMRRFSA-N 431.562 1.868 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(c2nccn2C)c2nccn2C)s1 1300994335 HSNHQTNYSMCEOQ-UHFFFAOYSA-N 434.547 1.128 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301185617 IKTVHXVRGSVVDQ-KRWDZBQOSA-N 438.598 1.836 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1C 1301425541 WKNODGIEKBFDBE-BZSNNMDCSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301500332 LCQWHQGSAIRRQW-LJQANCHMSA-N 444.580 1.703 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)C1 1302474476 BQPYQSIQKKHAFM-QAPCUYQASA-N 438.554 1.654 30 10 IDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)N1CCSCC1 1304866924 BWYHMWBGRNDZNT-MOPGFXCFSA-N 446.602 1.709 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1305626527 CTZLHXIBQKUCIT-CVEARBPZSA-N 425.537 1.940 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CCO1 1316540997 QBUVGNFUOLKNAQ-VXGBXAGGSA-N 439.485 1.204 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3ccccc3C#N)CC(=O)N2C(C)(C)C)cn1 1321088408 GNONWFXYIBJFSF-YJBOKZPZSA-N 429.502 1.485 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 1335693421 NXUWTVYUTAOJJJ-VHKYSDTDSA-N 430.505 1.926 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@@H]4CCCC[C@@H]43)C2=O)cc1 1340125303 IFXKGWDBKQJMDK-FGTMMUONSA-N 444.513 1.331 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1358995598 XVSXPABMUWIJAF-UHFFFAOYSA-N 441.482 1.892 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)n1 1359027352 GHKJYHDKQBZCQS-IRLDBZIGSA-N 428.537 1.797 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1359089222 DXPLSYRBZOLMMK-KPFFTGBYSA-N 444.580 1.989 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccccc1 1359137929 FMFJHANQXQGROP-KKSFZXQISA-N 446.577 1.564 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359165810 XJOICWXDUQSBHI-GJZGRUSLSA-N 447.508 1.192 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359183561 NWKYQLCLCAUKON-UONOGXRCSA-N 433.600 1.114 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)C(C)(C)C)C1 1359320348 PHXPMOBUVNXVDG-CABCVRRESA-N 425.555 1.224 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1360262360 UMKZKYIMCCRSTM-RBUKOAKNSA-N 435.532 1.788 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)s1 1440676264 MLBKKGWPNMKXAV-SFHVURJKSA-N 449.598 1.772 30 10 IDEE CCOc1ccc(C(C)(C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OCC 1457200008 MJISRFKMSXTPRC-UHFFFAOYSA-N 426.473 1.979 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCc3c(OCC(N)=O)cccc32)c1 1463745222 KLOVRIIKFWGTNN-UHFFFAOYSA-N 429.498 1.608 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)n1 1464712937 UUTBPUDYYKXTHX-UHFFFAOYSA-N 425.561 1.563 30 10 IDEE CN(C)CCNC(=O)C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1465492421 XPAXJAKSEQGSPE-SFHVURJKSA-N 437.585 1.880 30 10 IDEE N#Cc1cn(CC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(=O)nc1O 1470109001 HYBLSQNBAMUFML-IBGZPJMESA-N 429.436 1.334 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCCNC(=O)OC(C)(C)C 1471014447 HGMJGZDYUASFQI-MRXNPFEDSA-N 447.540 1.500 30 10 IDEE CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 1476320073 FUOZNBRNQJMQSO-UHFFFAOYSA-N 443.895 1.600 30 10 IDEE COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC2=O)cc1 1478947592 DHRYGZJCSHXKQA-INIZCTEOSA-N 437.504 1.246 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(C)CN(C)C1=O 1504884835 DCDKOLAWNFVAGZ-NRFANRHFSA-N 426.477 1.519 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccccc1CN1CC[C@H](O)C1 1507623255 UBMXOIIZOGQIRK-FKBYEOEOSA-N 439.560 1.686 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507639648 LNEOOJKLDHAVKE-LJQANCHMSA-N 447.609 1.107 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)Cc1ccccc1 1507665130 JVUWAFHMMZWWRT-UHFFFAOYSA-N 436.541 1.757 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1507743402 ASOWKTFKANNECT-UHFFFAOYSA-N 446.537 1.729 30 10 IDEE C=C(Br)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1507790702 BXQKQQVWBYVZIH-YOEHRIQHSA-N 426.315 1.956 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1507835117 LRTBAFXZIOYOPE-PXNSSMCTSA-N 441.598 1.614 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1508057714 IYQGXEXLHKHHKB-UHFFFAOYSA-N 425.518 1.573 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(CC)cs2)C1 1508085000 DXQQEZKEDOQGKW-GOEBONIOSA-N 443.577 1.934 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)CN(C)C2=O)C1 1508118139 WUTJWZLDZVHYRC-VOQZNFBZSA-N 433.553 1.578 30 10 IDEE CC(C)CSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1509492571 VVNTYQASNSXHKY-HZPDHXFCSA-N 444.627 1.739 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(NC(N)=O)cc1 1513916262 DHJFTIBUCZETDH-UHFFFAOYSA-N 448.535 1.620 30 10 IDEE CC[S@](=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1516863280 WSIQLXIOHRPJRY-HKBQPEDESA-N 438.561 1.645 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1519205300 CGFXVBMRJTXBRM-JTSKRJEESA-N 426.521 1.125 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1=O 1519205597 DTULOADSTPHBBZ-AZUAARDMSA-N 438.532 1.663 30 10 IDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F 1532298226 TXKKKBHWAXCAHP-NWDGAFQWSA-N 444.476 1.512 30 10 IDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1532404531 FSUHUCGSTJLKKB-WMZOPIPTSA-N 429.473 1.667 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(=O)(=O)CC 1539383787 KWTZKDCMXMYQJJ-IAGOWNOFSA-N 425.599 1.986 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(N2CCCC2)CCOCC1 1539417506 KIYMYMURGCGPSK-UHFFFAOYSA-N 438.576 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)c(F)c2)CC1 1539467049 MBCMKTBWVKCXNV-UHFFFAOYSA-N 444.486 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1539483435 YYNQVZWSHKUWOY-UUOWRZLLSA-N 436.560 1.781 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539634580 BNRARJDTIXMAJA-FXAWDEMLSA-N 425.537 1.642 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1540871392 KUAFOZOMQDGXNB-CVEARBPZSA-N 431.566 1.424 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2coc(CS(C)(=O)=O)n2)c1 1541080051 CBRQBBXLBSJVSB-HMMYKYKNSA-N 440.503 1.284 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(F)cn1 1541675671 TZMXFQQNUGSBRR-UHFFFAOYSA-N 449.494 1.592 30 10 IDEE C=CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1543487407 SDYKLDFORXEGJS-DOTOQJQBSA-N 445.582 1.244 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCOCCCO)c1 1555987539 NFFGEBXPBNDQQJ-UHFFFAOYSA-N 438.454 1.900 30 10 IDEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCOCC1 1558417654 HQDPSUGGNJKQCJ-IXDOHACOSA-N 440.562 1.345 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CCN2CCOCC2)c2ccccc2F)CC1 1560070599 FWZAXEKDKGJMFZ-JOCHJYFZSA-N 431.556 1.657 30 10 IDEE CN(C)[C@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 1565324731 VSQDONFXXHGHDX-MRXNPFEDSA-N 447.483 1.457 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)C3CC3)CC2(C)C)s1 1567106788 SMNXSBVVIDXRNL-UHFFFAOYSA-N 425.576 1.614 30 10 IDEE C[C@H](CC(=O)NC[C@@]1(C)COc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 1585592209 KBDJCWJSXJZCMJ-SZNDQCEHSA-N 429.498 1.850 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(C#N)nc1 1585725396 IJCUAHINOWUBGC-GOEBONIOSA-N 440.422 1.876 30 10 IDEE Cc1n[nH]cc1CCCNC(=O)CCNC(=O)COc1cccc(Br)c1C#N 1586073287 PWHBQRWOZHROAP-UHFFFAOYSA-N 448.321 1.986 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1587638091 BLKOIBPRPRQUDS-DOTOQJQBSA-N 433.534 1.107 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588045017 FNRHYPNPZQLXLO-BCOMRZATSA-N 449.602 1.212 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1594498363 UFLDGUHKTMWVLX-ZWKOTPCHSA-N 448.593 1.884 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1595659006 QHPKIOUAQJUOTG-WOJBJXKFSA-N 441.532 1.736 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCOCC2)C1 1595744099 JVFQIZJZQAUPQZ-SFHVURJKSA-N 432.569 1.293 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1595804894 HQJDHYHPUDOGCQ-UHFFFAOYSA-N 435.525 1.543 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3(c4ncccn4)CCOCC3)C2=O)cc1 1611097405 RTTYCANTAZWLHU-QGZVFWFLSA-N 434.456 1.375 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1618308502 DELJUZJVNOSDPV-UHFFFAOYSA-N 442.549 1.168 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C)nc1 1620020140 VKFHFQHCSNDZDH-FXAWDEMLSA-N 425.537 1.930 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1620055656 XPSZIZXMLVAZKB-QFIPXVFZSA-N 427.505 1.600 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc[nH]n1 1623530034 ZXUYUISWPZXZET-GFCCVEGCSA-N 447.414 1.143 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1623617064 YCYVGCLJRRWKML-FQEVSTJZSA-N 441.381 1.673 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)[C@@H](C#N)C1 1629506410 JXPQJJKCQKOFMA-AWEZNQCLSA-N 449.508 1.724 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)s1 1633278466 JPWVVUUGMIXJJQ-LLVKDONJSA-N 425.454 1.034 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 1634613345 VZTMKGCYCNGAEX-HXUWFJFHSA-N 447.605 1.082 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cc[nH]n1 1635906090 XABZFIXVADMDEG-CYBMUJFWSA-N 436.490 1.017 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1[N+](=O)[O-] 1640438362 LFFCZWNVRWIZJK-UHFFFAOYSA-N 435.488 1.921 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1641379464 ZLZKJAGEOKKYTC-BPLDGKMQSA-N 445.335 1.149 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1644041993 JVRCGPZMMTYBHM-UAPYVXQJSA-N 449.548 1.747 30 10 IDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1644576073 AKIDFGWUQHQCME-UHFFFAOYSA-N 429.542 1.973 30 10 IDEE C=CCC1(O)CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1648366099 DOOLUOUWCFUSNK-QGZVFWFLSA-N 437.562 1.438 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 1653535823 PZDAHNNDUGSWKS-UHFFFAOYSA-N 444.456 1.780 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 1658101258 VIBZSZAKESARLA-UHFFFAOYSA-N 442.541 1.893 30 10 IDEE Cc1c(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)sc2ccc(C#N)cc12 1659829310 FCFLUVJPIRHRSC-UHFFFAOYSA-N 429.545 1.022 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CN(c3nccn4nc(C)cc34)C2)c1 1666161983 OWUYQPWATYLTHO-UHFFFAOYSA-N 426.502 1.121 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 1671511292 XFLNGUYLZUUJKY-QGZVFWFLSA-N 438.550 1.868 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1681943770 SOAPSQNUCWUCTN-YVSFHVDLSA-N 443.566 1.396 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c(F)c1 1682200200 CGOURZLMAFDWQH-INIZCTEOSA-N 444.488 1.764 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(CN4CC[C@H](O)C4)cc3)C2=O)cc1 1682228024 YAKHEQVFUKZASB-GOTSBHOMSA-N 447.539 1.725 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1685632557 OBACOXFWUUITKU-GOSISDBHSA-N 447.536 1.914 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1 1686512917 MFVCXZCLHHZOJG-UHFFFAOYSA-N 439.560 1.780 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN2CCCO)CC1 1690117519 KGVRNLVLTAIINX-LJQANCHMSA-N 443.983 1.596 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC2(OCCOC)CCOCC2)CC1 1690122296 MTEBMTSYHJDORR-UHFFFAOYSA-N 431.581 1.903 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2nncn2C)CC1 1690140081 LFUUNBYTKZSHRO-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccsc2)CC1 1690150300 BXJQJTLRHSUILY-UHFFFAOYSA-N 426.546 1.476 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690181496 ZZRAMFRJYAXGCT-UHFFFAOYSA-N 441.605 1.977 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1690254630 FGYBHIAKPOALOH-UHFFFAOYSA-N 446.577 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(F)cc2C1 1690714143 GDDNVFNQLJDMQO-UHFFFAOYSA-N 435.525 1.719 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(C)=O)CC1 1690724904 YPZHRVRTEQQHEO-GOSISDBHSA-N 439.582 1.473 30 10 IDEE C=CCSCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690750194 CMYGHXLACZHOLR-HKUYNNGSSA-N 436.626 1.723 30 10 IDEE CC(C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1691891549 DEVLICXICSBGNO-ZPTIMJQQSA-N 428.415 1.695 30 10 IDEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)C1CC1 1697156978 FQWPUCKRFLAZBR-FQEVSTJZSA-N 437.548 1.452 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCN(C)C(C)(C)C1 1698227283 BVCXKPOAMDCACC-FHWLQOOXSA-N 433.601 1.766 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1698238719 HYOUGLKKDLDDJT-IRXDYDNUSA-N 439.582 1.955 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705556007 IAOWVNQVAOFSJE-IRXDYDNUSA-N 430.578 1.838 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705564838 CZDFTHIZTCKEJX-ROUUACIJSA-N 427.530 1.620 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(C)COCCO2)CC1 1705643225 XJYJPGICMTTXIN-XMMPIXPASA-N 439.560 1.980 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1705693290 DWFKVMRKVCJMJU-RDJZCZTQSA-N 446.533 1.141 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1705762321 USDDILLZGOFKTE-UHFFFAOYSA-N 444.561 1.561 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705901352 JAWHEMAJFYWCCN-UHFFFAOYSA-N 438.598 1.488 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)N(C)C 1706798872 IBJUGPYFPXCDBD-MDNKFWRPSA-N 442.589 1.874 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C(C)(C)C 1706878764 GTDDCCYVCGTDKO-AUUYWEPGSA-N 439.586 1.181 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCN1CCOC 1709336407 ZRPOEOXFZZZKGY-UXHICEINSA-N 437.548 1.642 30 10 IDEE CN(C)CCN1CCC(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1711013207 DHWOFPCHMXAGAG-HSZRJFAPSA-N 440.571 1.979 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H](C)O1 1712304723 RUTHWADQTIKENO-WDYCEAGBSA-N 440.504 1.247 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@]2(C)CN(C)C2=O)c1 1722308491 BEPZDHAOCAUAMQ-QHCPKHFHSA-N 446.515 1.213 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722358437 BQZJLTVSMQNPRV-QGZVFWFLSA-N 449.483 1.725 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722438311 VKXGPPZGYKMHKH-RTBURBONSA-N 440.523 1.021 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1722677543 BFMVRWHMOQRHBM-UHFFFAOYSA-N 443.504 1.214 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1c(C)nn(C)c1C 1722724883 AKLKIIBXLMRCIC-UHFFFAOYSA-N 431.566 1.871 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(Cc3cscn3)CC2)nnc1C(C)(C)C 1722731033 BKGXUSOKPFDFRI-UHFFFAOYSA-N 438.623 1.955 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOC(F)(F)F 1723934481 XTIOFFNUCAZPDM-LBPRGKRZSA-N 438.476 1.945 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1726824300 CZESNOYHJQOEDQ-LONFEIEESA-N 441.532 1.974 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1)[C@@H]1CCOC1 1729369426 JEYABUINYULEFW-QGZVFWFLSA-N 445.545 1.921 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1729541984 HDKXZJXTQDUCSG-NRFANRHFSA-N 428.562 1.453 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(C)=O)CC1 1740954637 QBMKRELOUATSBZ-UHFFFAOYSA-N 447.337 1.678 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740986691 DZQRZINLMPBLEL-QGZVFWFLSA-N 443.577 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740994883 VSQOBNYYXQFCJW-RTBURBONSA-N 448.593 1.603 30 10 IDEE Cc1ccc(OCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1742285469 CBHPEGVOGLPCEO-PKOBYXMFSA-N 445.545 1.687 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CC=CCO1 1744090987 LHWVSCAAFUHPPJ-RTBURBONSA-N 427.553 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1748655998 JPHCABVSTVOVFL-GHTZIAJQSA-N 449.563 1.736 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1748706933 VQTAQXDKZDRFMD-QGZVFWFLSA-N 433.520 1.816 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1748719439 XZKZUXOGDGDBQR-LXGFNABISA-N 436.578 1.756 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748774052 QDQCBAQCZKOLJO-INIZCTEOSA-N 439.545 1.686 30 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C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1760101328 NOLOHDOLRHNDSV-CQSZACIVSA-N 449.353 1.753 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1760136853 CLEVDBMDFFLZAS-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1760175474 KKBYEHXQJJODSA-TXPKVOOTSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760189311 HJZCOHBWGJFXDR-LJQANCHMSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1760220107 WKSNCIBVBQJTMN-LJQANCHMSA-N 445.520 1.261 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1760252792 KGMZQLCWGSGYAU-VGOFRKELSA-N 425.489 1.355 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCNS(C)(=O)=O 1760482588 ZFPKEHJAEXTMHP-GOSISDBHSA-N 430.534 1.743 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC1CC1 1760523211 PPCNKZVSMMKALN-UHFFFAOYSA-N 431.566 1.777 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1760527599 BTOKYZBYIMPPBC-UHFFFAOYSA-N 430.484 1.218 30 10 IDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760558786 AESYMEAZZQTJLE-MRXNPFEDSA-N 435.598 1.672 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1760760105 FXBREVXCZIOMIX-KRWDZBQOSA-N 438.598 1.104 30 10 IDEE CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760946791 SJLIESOJTMWKML-LHUAGQQPSA-N 441.536 1.628 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761898605 PGCRFXOYDKKRCW-BSBNDGSWSA-N 427.553 1.850 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1762702673 YOJVHYMLMWACEK-APWZRJJASA-N 440.504 1.201 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1763926701 DNXVYXJTNCMWBM-KFKAGJAMSA-N 435.532 1.836 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1765872797 RFUMYNHNCPVTEG-ZSVKVYQISA-N 444.536 1.693 30 10 IDEE CNS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C#N)CC1 1767856153 HAOWAWAFHGBJIK-UHFFFAOYSA-N 432.550 1.763 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)(F)F 1768943220 KBAZWSGQMVVNFJ-UHFFFAOYSA-N 446.455 1.729 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1769049885 FILRJPMLAXQRPE-HKUYNNGSSA-N 444.561 1.713 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1770636727 OZUIQCCRYDSGFV-DMEQXSTQSA-N 437.504 1.728 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC[C@H]1C 1770658689 RCQQXAARULPINZ-HCLVMJGWSA-N 440.548 1.657 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1770757293 VLEAEFYOLHOIII-LSDHHAIUSA-N 429.493 1.734 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770923955 MYWHFZFKHUTFTO-ZJYNUGOYSA-N 425.493 1.283 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)CC1 1849561441 YFJDVGDCVSGRJQ-GOSISDBHSA-N 436.578 1.191 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CC(S(=O)(=O)C4CCCCC4)C3)CC2=O)cc1 1853961466 ULJBNGAERMDOCA-KRWDZBQOSA-N 429.542 1.979 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(C[C@@H]4CCCO4)C3)CC2=O)c1 1854102891 CXILYMUGXIGYAG-MSOLQXFVSA-N 430.936 1.944 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@H]2COCCO2)CC1 1854430413 XRRVZAPJDXLXQS-LJQANCHMSA-N 434.514 1.639 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854456331 GIRMCPBGYJWZBX-LJQANCHMSA-N 429.542 1.662 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cc(F)ccc1F 1856263975 MYMNJTHJLJIPQN-LBPRGKRZSA-N 434.424 1.434 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1857323744 FBRXJIDTPXSTSO-IBGZPJMESA-N 432.546 1.694 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858337353 ZYHYAAPBFKYDFJ-AWEZNQCLSA-N 436.471 1.208 30 10 IDEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869928661 VNGOAQOTGDCGCQ-QGZVFWFLSA-N 440.481 1.614 30 10 IDEE C=CCn1cc(OCC(=O)N=c2nc3nc(C)cc(C)n3[nH]2)c(=O)cc1CN1CCCC1 1870428372 FDPZUGABWQRIRX-UHFFFAOYSA-N 437.504 1.124 30 10 IDEE N#Cc1ccc(I)c(I)c1S(N)(=O)=O 2055357106 BNVIJILIFPPAFJ-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2184059154 IXVUVNABDDAFLX-KKUMJFAQSA-N 440.294 1.990 30 10 IDEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2241773671 UZZYXWXIOYJGNB-LJQANCHMSA-N 430.482 1.831 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CO1 2243386670 FMNFSRZGNIIAHF-NSHDSACASA-N 425.316 1.723 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CC[C@H]3NC(=O)OCc3ccccc3)[nH]n2)OC1(C)C 2243387530 VYVWFDLNGOVRHT-JKSUJKDBSA-N 440.309 1.896 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243426549 ZDHVUGUSCDSFRY-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)NCCOCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405034 OLERARHJHFYPEV-UHFFFAOYSA-N 442.347 1.129 30 10 IDEE CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255606704 UERABYQTKSBVGO-UHFFFAOYSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255633072 VYSMBUCYMPCUFM-CHWSQXEVSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255649695 LLWGLEUGIUCCAD-HIFRSBDPSA-N 436.314 1.536 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255657322 NMZXLPRFUWVAPN-KGLIPLIRSA-N 436.314 1.679 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H]1NC(=O)C(F)(F)F 2255833946 CDCLKLQKRASKNU-CMPLNLGQSA-N 447.288 1.971 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)n1 2255839804 ZCDDLKNYHSFBTE-CYBMUJFWSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)NC12COC(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)(C1)C2 2266073226 WHYLMQYRPQAMSR-UHFFFAOYSA-N 446.313 1.541 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130341 NFOYISAFCMPOMZ-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE CCn1cc(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267193783 KIIWBXROVFQEMK-PEBXRYMYSA-N 446.357 1.941 30 10 IDEE Cc1ccnc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267510927 UEJWLBAUMUXTKB-JOCHJYFZSA-N 449.357 1.695 30 10 IDEE Cc1nn(C)c(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2267523044 XDQISNTUVHTGIQ-KBPBESRZSA-N 446.357 1.623 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 2267604635 HSKLILWOIJVKSH-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)OC1(C)C 2267720556 MOBVRGKSVARUHX-CQSZACIVSA-N 429.369 1.963 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC[S@]1=O 2282306902 ULJOQOIVLCKWHH-UXMMLNGASA-N 439.817 1.842 30 10 IDEE CS(=O)(=O)C1(C#C[C@H](N)[C@H](O)c2sc(Cl)cc2I)CC1 2367814843 KBGIWERUIKSYBI-WPRPVWTQSA-N 445.731 1.947 30 10 IDEE CC(=O)Nc1ccc(C(C)=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 254903695 JVOGUBLNMCVVIU-UHFFFAOYSA-N 440.508 1.339 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2c(Br)cnn2C)c1=O 447279625 IFZDOLMNXLFMTQ-LLVKDONJSA-N 437.363 1.934 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C 466840645 JEWISMWILHOFLW-ZHALLVOQSA-N 433.516 1.758 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)NCC)cc3)cc2C1=O 478297956 SDGIUCWKXBGJJO-UHFFFAOYSA-N 427.482 1.697 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 481789632 XERMNYKQMROVNX-INIZCTEOSA-N 446.573 1.913 30 10 IDEE COCc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)no1 502021315 YBQJWNTUBUGAAK-LBPRGKRZSA-N 432.380 1.869 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 503883693 JWPGPSZIQNNAHR-IBGZPJMESA-N 447.538 1.826 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)n(C)c1=O 505667210 VDPSIBUFVBERPV-UHFFFAOYSA-N 432.427 1.894 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 523032141 REXSUQMETZOCDO-UHFFFAOYSA-N 428.449 1.870 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)CC2)n1 544864302 AWTRVJGUIYMQRA-UHFFFAOYSA-N 431.493 1.500 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 555252110 HQVULLFBBNNBSU-ROUUACIJSA-N 434.566 1.475 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 559005259 YXATWPVXOAXLLE-LJQANCHMSA-N 426.521 1.703 30 10 IDEE Cn1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCO3)CC2)c1=O 571064261 JVOXKDHYAUYCHB-LJQANCHMSA-N 446.515 1.416 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@@H]2CCCC[C@H]21 584417041 JARACGDETMUGCS-CIAFKFPVSA-N 444.624 1.932 30 10 IDEE C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 609293654 SRQMWMDSVAKQQS-UHFFFAOYSA-N 437.522 1.261 30 10 IDEE CC(C)C[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)NCCN(C)C 611155515 NLFATCINBRDSPI-IBGZPJMESA-N 429.569 1.314 30 10 IDEE N#Cc1cccc(N2CCN(C/C=C/CN3CCN(c4cccc(C#N)n4)CC3)CC2)n1 612830903 OZKNYRKIYDKRGH-OWOJBTEDSA-N 428.544 1.720 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730143552 UPZJKTAHBBFNHF-AEFFLSMTSA-N 447.605 1.827 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730143793 VNHBNUVFFQCXMY-SFHVURJKSA-N 433.578 1.439 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)ccc1F 730563130 SVYZMSZZPPEGKC-GOSISDBHSA-N 438.569 1.532 30 10 IDEE C#CCN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 735040872 XNUXLUZBWFDVIP-IZHWHUGBSA-N 446.388 1.986 30 10 IDEE CCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(CCC)c2)c1=O 735068446 BFEBHUFBINKDHD-UHFFFAOYSA-N 445.614 1.395 30 10 IDEE COC(=O)[C@H](N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(C#N)cc1 740001387 SOKXAXBPHVBGLM-SIKLNZKXSA-N 436.516 1.658 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)c(C)o1 767953549 SAZFJYPTELBIHY-SFHVURJKSA-N 441.553 1.861 30 10 IDEE COc1cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)c(OC)cc1Br 781702021 UOYONEDPBZLHGP-UHFFFAOYSA-N 426.248 1.852 30 10 IDEE O=C(C1CC1)[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 788207406 YAFQILOOPJCIFX-KRWDZBQOSA-N 433.530 1.492 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCC1CS(=O)(=O)C1 790634444 LARRYEYZKBXIGV-HNNXBMFYSA-N 428.532 1.262 30 10 IDEE CS(=O)(=O)c1ccccc1COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 810940881 LFXOPUZJHPJALY-QGZVFWFLSA-N 441.465 1.910 30 10 IDEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812426368 CKRMWGGNCVJDRA-POAQFYNOSA-N 442.541 1.618 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 813561034 BVJYKRHXEKQDAN-RDJZCZTQSA-N 433.578 1.437 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C[C@H]1CCCO1 1116378102 YQUYRWMQMYJENA-OAHLLOKOSA-N 443.500 1.042 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCC1CCN(CC#N)CC1 1146579145 JZOXIGSMACKFSK-SLBVQIDZSA-N 426.439 1.324 30 10 IDEE CN1CCn2ncc(C(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)c2S1(=O)=O 1148674109 DZMBMWXFQDSWEJ-ZDUSSCGKSA-N 429.380 1.410 30 10 IDEE O=C(c1cnn(C[C@H](O)CO)c1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605554 UIUMENRPVSMORY-IVZWLZJFSA-N 437.287 1.479 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1195946993 PKLSEXIHQWQHCX-YCPHGPKFSA-N 448.486 1.848 30 10 IDEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1286333980 DYXQVPITQNPMNE-LJQANCHMSA-N 427.505 1.620 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286392780 NTJHPEAAZOBZCR-FQEVSTJZSA-N 443.573 1.707 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1 1286408772 JLRRQDLLYSVLBK-UHFFFAOYSA-N 440.498 1.384 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)CC1 1286483829 ZXORZXITKXZSMG-UHFFFAOYSA-N 436.560 1.353 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1286727764 ZAXMDHYMEIKFGR-MRXNPFEDSA-N 432.529 1.891 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CC1CCC1 1286820611 OIRRFMWKCNAHAC-INIZCTEOSA-N 430.596 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286821282 GFKUCDRIDUEYCB-ABSDTBQOSA-N 426.583 1.850 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1288170694 RRZPUFJUONUTBR-NRFANRHFSA-N 438.492 1.415 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)c1ccccc1 1288825337 CCSYGAZPFUNPRR-DNVCBOLYSA-N 435.529 1.467 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1296299966 UZXVMOWPPUIGFD-QGZVFWFLSA-N 428.489 1.542 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccnc(C#N)c1)n2C 1297365873 KRBZUBUMNVDVCB-UHFFFAOYSA-N 426.502 1.339 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)(C)C)nc1 1300271003 FZVFQSNKNSKWKD-GJZGRUSLSA-N 434.566 1.967 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1300497498 ZGRGFDZTEGPHTA-SJORKVTESA-N 442.607 1.262 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1300556225 FMHGYHCHTNCKKZ-SFHVURJKSA-N 439.491 1.879 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1300618957 PJXHCWLNRSYNOK-UHFFFAOYSA-N 433.516 1.661 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1300665598 LMBLANQCYGKYPQ-UHFFFAOYSA-N 431.562 1.978 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCOC2)CC1 1300728905 JLGCSQWRHVZLJH-DEOSSOPVSA-N 437.544 1.181 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300768910 ZIOBBETXHDGMCY-LJQANCHMSA-N 429.594 1.811 30 10 IDEE C=C(C)Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1300969716 AZKFLVBFJYQVLH-HSZRJFAPSA-N 440.548 1.932 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301491659 MXWKQFIBGSTDCD-NRFANRHFSA-N 426.477 1.287 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ncc(Cl)n1C 1301588904 LMVUNQWLSGGECH-AWEZNQCLSA-N 442.973 1.796 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1301794479 GSFCVBWMVOLQQZ-OXQOHEQNSA-N 446.508 1.629 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1301916951 PMSKXXKNSHATAL-OAQYLSRUSA-N 434.508 1.577 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1301957019 RGKVLMKRSBVVAT-UGSOOPFHSA-N 436.358 1.709 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)C(C)C 1303404198 QCBWEIOSGMQJPZ-UHFFFAOYSA-N 439.568 1.350 30 10 IDEE Cc1c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc(Br)cc1S(N)(=O)=O 1304199831 CEGDEFXDLOARCB-UHFFFAOYSA-N 443.319 1.883 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314638200 BKJKEDMDDDRNHW-GOSISDBHSA-N 438.536 1.244 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCOC)cc1 1358948670 HYPXVONZXUKPJX-SFHVURJKSA-N 432.546 1.713 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1358963232 DYKPSINCWUSILE-IRXDYDNUSA-N 448.549 1.123 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)ccc1OC(F)F 1358977907 ZDNARVGPZOLSDE-INIZCTEOSA-N 429.427 1.960 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1359026226 OVIAGCOEBIWYNJ-GOSISDBHSA-N 430.578 1.978 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)CC)CC1 1359040013 FCOWEVXBCXZXHF-JOCHJYFZSA-N 439.520 1.052 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1359049343 MXDKISXJYKXHFL-AWEZNQCLSA-N 439.611 1.241 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1359121606 YSUWFDLZKRCVIF-QUCCMNQESA-N 440.548 1.367 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1359301959 RGRBJFOYTLTHEF-UHFFFAOYSA-N 428.512 1.615 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359337711 YIDYXDKLKXEKLQ-XHSDSOJGSA-N 429.612 1.813 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(C)(=O)=O)C1 1360783201 FJSXATWWEHKQTG-LJQANCHMSA-N 432.506 1.353 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(c3ccncc3)CC2)c1 1442546374 UIZVLMSQKVVLTC-UHFFFAOYSA-N 440.569 1.821 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@H]2CCCC[C@@H]21 1452969717 WKQHJNRTVQSCCR-PIKADFDJSA-N 433.530 1.805 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1459212570 SSSJERIPPSHAJD-UHFFFAOYSA-N 430.505 1.855 30 10 IDEE COC(=O)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@@H]1C(=O)OC 1460932249 FMKXOLUXXIGAOX-VBNZEHGJSA-N 433.530 1.967 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2nc3cc(Br)ccc3s2)C1=O 1461622829 UCMZAJDPDDHIIA-UHFFFAOYSA-N 437.275 1.998 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OC)c3ccccc23)CC1 1463164255 FRIWACHISSIFEA-UHFFFAOYSA-N 443.525 1.072 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 1464913344 QOIPDDUQTCVWHJ-UHFFFAOYSA-N 436.603 1.455 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 1465350777 NYZVTJHGSIBVCL-FPLPWBNLSA-N 427.545 1.811 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC([C@@H]3COC(=O)N3)CC2)CC1 1473846799 QLSIYUGERZADIA-VQTJNVASSA-N 429.496 1.355 30 10 IDEE CCc1nc(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)no1 1498378483 YCYYAPIRAXZWAT-UXHICEINSA-N 433.488 1.949 30 10 IDEE CCOCCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1503221938 DJYGURPITOTKJH-UHFFFAOYSA-N 438.536 1.811 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)F)c1 1503405118 GIKZCPSMIRLJDV-CYBMUJFWSA-N 444.439 1.486 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1503622562 UGEKVHASDYAXMC-HNNXBMFYSA-N 440.476 1.226 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1503669554 BAYDUPINZZNWFP-JKSUJKDBSA-N 435.479 1.368 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1503694725 BAQOZLWTXHIGPH-CQSZACIVSA-N 446.581 1.606 30 10 IDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCSCCCO)c1 1505319182 WQOXWBUGEFWIFS-ZWKOTPCHSA-N 426.546 1.647 30 10 IDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507559926 ZMRDIFGIEAMPSX-UHFFFAOYSA-N 430.516 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1507661112 MXPUHQHCFBYZLU-DEOSSOPVSA-N 435.528 1.735 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1507778695 GASCQILSUCCOBJ-CJNGLKHVSA-N 448.387 1.804 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508091562 VGHWKTNPVKQXOQ-ZACQAIPSSA-N 448.568 1.824 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CC(OCC)C2)C1 1508108043 DINCKRHYOFVMSQ-CSZIGFGKSA-N 442.520 1.637 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1508139080 DDYYDYJUZOAULC-UHFFFAOYSA-N 445.593 1.996 30 10 IDEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508153309 XNCPZJDHVOQKRW-QGZVFWFLSA-N 434.610 1.982 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1509210328 BSMBJZDVKYGIHA-SFHVURJKSA-N 443.577 1.505 30 10 IDEE CCCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1514517994 FROLWZKWRBWEBF-UHFFFAOYSA-N 439.520 1.866 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1517019561 AHTSFJCRKAXVRD-MOPGFXCFSA-N 439.520 1.330 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)F)CC1 1521109836 GFBZYEOOIKSHKM-HNNXBMFYSA-N 446.462 1.452 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCCCC1 1521423304 LTTLRENCJJUEII-QFPXGYFVSA-N 448.549 1.087 30 10 IDEE CN(C(=O)COc1ccc(C#N)c(Br)c1)C1CCN(S(C)(=O)=O)CC1 1525701227 HMRZAUXFAOWFBG-UHFFFAOYSA-N 430.324 1.582 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Oc2cccc(OCC#N)c2)c1 1528275429 DWWJNORYIBASKP-UHFFFAOYSA-N 445.497 1.895 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CCN1CCCS1(=O)=O 1539196509 PQWVYHHLLIJDMI-UHFFFAOYSA-N 433.534 1.361 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1539446871 LCQREQFITGAUDE-LJQANCHMSA-N 425.533 1.993 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540028668 RJGORLYCGKYHCP-KRWDZBQOSA-N 448.545 1.932 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1540868257 YEGJOJBLTFINHR-UHFFFAOYSA-N 448.487 1.877 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1540884453 PJNCBIVKGDLQQW-VWNVYAMZSA-N 436.553 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1540898065 YZPDGYBEABGIML-WOJBJXKFSA-N 437.566 1.024 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1540901400 CABOIJZXNITVTD-UHFFFAOYSA-N 442.549 1.453 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCOC2)nnc1[C@]1(OC(C)C)CCOC1 1540908673 LIPHYJVVQAOBCS-LPHOPBHVSA-N 428.555 1.145 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1557744869 CBRGUZGRHMPIBB-ZACQAIPSSA-N 427.567 1.802 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2ncccn2)C1 1558523865 LJUNXQCNCFIIGT-WBVHZDCISA-N 427.530 1.946 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1558694290 NFTQRZKSHFSSEC-HNNXBMFYSA-N 444.488 1.282 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1562440022 ACYZUMVZDWODBP-LXDLAPCHSA-N 438.477 1.858 30 10 IDEE CC(C)OCCOC[C@H](O)CN(C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1564531177 OPEWBUDARKBDPO-ZACQAIPSSA-N 428.530 1.189 30 10 IDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 1565815160 XZLWQXZEFYILIN-UHFFFAOYSA-N 440.363 1.671 30 10 IDEE C=CCOC[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)C(=O)OC 1568154566 LSBGYNKQILPHCI-ZWKOTPCHSA-N 431.489 1.823 30 10 IDEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCN(O)C1=O 1569564106 OIEXGZGUJJRZNV-JSGCOSHPSA-N 433.324 1.149 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(O)nc(S)n1 1583368400 CLGNBRRUYYBJCW-ZDUSSCGKSA-N 435.531 1.385 30 10 IDEE C#C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C1CCOCC1 1586730582 RXWKXOXDOQULCH-SFHVURJKSA-N 446.573 1.784 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1588628745 OGSQVYDFYLRBMB-QGZVFWFLSA-N 434.500 1.623 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCOC2)CC1 1588907703 DRWPRDQFVGQTCC-OAQYLSRUSA-N 444.923 1.111 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1588974778 BAKJVXPDPOYFNA-CQSZACIVSA-N 436.563 1.161 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593900822 UCABMDAWEGJPKW-CQSZACIVSA-N 447.956 1.918 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1595099626 FVGWOMLUKJWWFK-SFHVURJKSA-N 442.545 1.333 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1C(C)(C)C 1595831537 RSNLOKDCHRAGHY-TWOQFEAHSA-N 426.583 1.949 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(S(=O)(=O)NCC=C)s2)c1 1596681585 TWWHDCSVLWRABC-UHFFFAOYSA-N 431.539 1.833 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1597769651 KZFYEWFDQLANOY-YESZJQIVSA-N 443.566 1.768 30 10 IDEE Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1I 1611246363 XXEJOUMRGYBKGR-NXEZZACHSA-N 445.261 1.812 30 10 IDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)N(C)[C@H]1C 1613895723 DLXYPFPYUQDIIS-ZMZSAOCBSA-N 445.588 1.783 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C)[C@H]2CCNC(=O)OC(C)(C)C)C1=O 1616490986 JJLYDWMUABUXFO-LSDHHAIUSA-N 436.509 1.505 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1(C)C 1619516906 FWNLCPHJJWDUKL-IBGZPJMESA-N 438.532 1.927 30 10 IDEE COCCCN(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1619836702 LMPGTRHROMPEKC-PXNSSMCTSA-N 442.520 1.488 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1C[C@@H]1C 1620016323 CXGKZGGACSKYJF-JQHSSLGASA-N 442.568 1.898 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1624818963 BLSFYSQYBWBQIK-HZPDHXFCSA-N 437.541 1.414 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(I)cc1-n1cnnn1 1626364511 PKVHKHYAAFEXPN-XHDPSFHLSA-N 439.257 1.978 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@@H](C(N)=O)[C@H](c4ccccc4)C3)C2=O)cc1 1626552096 TUWCSMHLIVFHMB-XUVXKRRUSA-N 445.479 1.491 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1c1ccc(F)cc1F 1626980926 AZIGGNIGBZAQEU-ZWKOTPCHSA-N 427.407 1.981 30 10 IDEE N#C[C@H](CO)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1627542609 AKCIQTRSBMWEBZ-MRXNPFEDSA-N 449.479 1.688 30 10 IDEE C#CCN1CCC(NC(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)CC1 1630980196 HOSFTRHGYCAHKU-UHFFFAOYSA-N 447.624 1.661 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1634302477 QPSSFSAOAYMSCY-HOTGVXAUSA-N 444.960 1.072 30 10 IDEE N#Cc1c[nH]c2cc(C(=O)N3CCC(NS(=O)(=O)NCC(F)(F)F)CC3)ccc12 1638986470 DGZZTSZLZOHYTI-UHFFFAOYSA-N 429.424 1.630 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1639840614 PCJMGZJEJABRTC-QWHCGFSZSA-N 449.392 1.944 30 10 IDEE Cn1c(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c(C#N)c(=O)n(C)c1=O 1643149318 KTZWGUVGFOPHBE-PWSUYJOCSA-N 431.415 1.095 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@H]1c1ccnn1C 1643808688 MPHSCABPWWJOJX-RTWAWAEBSA-N 440.479 1.068 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccc(N3CCOCC3)cc2)nc1I 1644029546 OBDGHGCMHPXVQN-UHFFFAOYSA-N 437.241 1.835 30 10 IDEE C=CCN(C)CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1645453834 SRQMTFMPSOIGKK-UHFFFAOYSA-N 444.548 1.237 30 10 IDEE COC(=O)c1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 1647803341 GAPQSJJSMZRMFM-CYBMUJFWSA-N 433.490 1.299 30 10 IDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1648264247 RAWQTKQDORJXDV-ZIAGYGMSSA-N 431.518 1.903 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1652929079 NWKWBHXVJMVVCX-KRWDZBQOSA-N 435.521 1.614 30 10 IDEE C=CCNC(=O)NC(=O)COc1cc(Br)cnc1I 1653106630 WWOSHOYXLSEKHU-UHFFFAOYSA-N 440.035 1.839 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1677846068 VDJCYXSEZVVQDW-UHFFFAOYSA-N 445.444 1.410 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCC1(F)F 1686054988 FRFNDUFQOORFJE-MELADBBJSA-N 430.452 1.975 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1Oc1ccccc1 1686175725 NEETVMHSQTWEDM-RCCFBDPRSA-N 425.445 1.012 30 10 IDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1689966628 XPAVAEWTIYVRJK-BWVDKLOVSA-N 434.456 1.386 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689991095 VSUDXONSURPIOT-CMKODMSKSA-N 449.621 1.672 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(-n2cncn2)c1 1690029443 BWNOBSHYMPDHTN-UHFFFAOYSA-N 428.500 1.606 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2ccccc2)CC1 1690143911 GIQBGIZFIXYYJQ-FQEVSTJZSA-N 434.544 1.828 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690173020 UDICLJGXWOICAL-LJQANCHMSA-N 446.621 1.631 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1690195223 HGDODCPGEDQBBP-QZTJIDSGSA-N 429.443 1.601 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690316792 MWCKTHPUFXBGIQ-NVXWUHKLSA-N 435.550 1.587 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)CC1 1690655437 VBUQJRFDZLNADR-UHFFFAOYSA-N 429.569 1.271 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)no1 1694583304 FDPLDEFPLRNBDC-JOCHJYFZSA-N 434.504 1.967 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@](C)=O)CCC1 1694737802 GFVYKGMGTAZWGW-FOGNVHKLSA-N 428.566 1.518 30 10 IDEE Cn1cc(-c2nnc(N(CCO)CCOCC(F)(F)F)n2Cc2ccc(C#N)o2)cn1 1696851388 ORXSPQYFSUQSAO-UHFFFAOYSA-N 439.398 1.569 30 10 IDEE COCC1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1697811874 SRNXHXFHDNTPOL-KRWDZBQOSA-N 432.550 1.806 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705522517 HSVWPDQMKWUIAH-INIZCTEOSA-N 426.525 1.502 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1705573621 KLSRVWOKZRJDJB-OALUTQOASA-N 434.610 1.329 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1705595048 CUHYWOBFHZZOQH-UHFFFAOYSA-N 441.561 1.226 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2C[C@H]2C)n1 1705631512 HWOAIWJPSPJRAY-KURKYZTESA-N 446.577 1.319 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1705901245 GGPGYUIDKPTBKU-UHFFFAOYSA-N 441.511 1.358 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(C(C)(C)O)cc1 1706069795 HPKOPKXGXXSXOG-GJZGRUSLSA-N 434.566 1.760 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1706348057 AMZVPGAHYDWHFP-LTCJTPMSSA-N 446.577 1.886 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1709830060 KGBIXHPSZGNUIT-RBUKOAKNSA-N 435.532 1.790 30 10 IDEE CO[C@@](C)(Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C1CC1 1711491770 BPRULRKUDFLZQP-QFIPXVFZSA-N 439.520 1.766 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@H]1C[C@@H]1C 1712556635 AFNDGLOECDVZCV-LESCRADOSA-N 428.541 1.823 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1722303534 OVYMOPRCSXAZNF-WGLILOHCSA-N 438.463 1.981 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722332812 OZECPVWBEZSMMB-RBSFLKMASA-N 449.499 1.659 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1722369479 ZUWSLXHFNFKJRB-QZTJIDSGSA-N 445.545 1.598 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](F)COC)CC1 1722444685 DIBRTKQTSCUIKU-QGZVFWFLSA-N 443.479 1.624 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCC2)CC1 1722447064 CREYIPFLLBQRBO-FQEVSTJZSA-N 428.581 1.624 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(OCC(N)=O)CC1 1722504571 GSQNHVSKIZKCTI-DNVCBOLYSA-N 427.509 1.187 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1722538028 SYCHWEVSWPVFKU-KRWDZBQOSA-N 427.571 1.584 30 10 IDEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722603910 PXJCRWBACFOZHZ-IBGZPJMESA-N 444.580 1.799 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCS(C)(=O)=O 1722655628 HQKHWFCXCDUIDA-UHFFFAOYSA-N 442.545 1.509 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1722870728 WDACJOAHZGYRCO-JKSUJKDBSA-N 449.556 1.707 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCn2ccnc21 1730759822 LLIXLWOFINGJPH-QGZVFWFLSA-N 426.525 1.655 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1731016128 WEQFQTWGRYIBNJ-HUUCEWRRSA-N 434.522 1.061 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740626041 VBUDVUAYMDLOCW-JWIGPWBQSA-N 426.608 1.405 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)C(C)(C)C)CC1 1740703862 CHJQNABQHOLLNH-UHFFFAOYSA-N 425.537 1.401 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740706313 RYJFBHCDOMABHN-MSOLQXFVSA-N 442.564 1.053 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740719925 UTALTSXRAHAGFO-QUCCMNQESA-N 426.590 1.787 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1740732256 WZJMLPLHQOHGPA-GHTZIAJQSA-N 444.561 1.355 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1740758124 ULPSXBMBKDKQSD-YLJYHZDGSA-N 428.537 1.560 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1740876842 WWGZXZVZINJMGV-APWZRJJASA-N 425.555 1.194 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1740888161 PYCZWOAIDAHENS-FGTMMUONSA-N 439.582 1.583 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1740888766 VUAULVXSFLKBHP-QGZVFWFLSA-N 427.571 1.584 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CC[C@H]1C2 1740960221 NNHDOJQIQCRSPO-YESZJQIVSA-N 446.552 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740986870 JVHQLOSLGUNCBJ-UHFFFAOYSA-N 435.525 1.218 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1748816148 XOYCMEBLVAHNNE-JKSUJKDBSA-N 433.559 1.274 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748839224 QEJFBAFQMOCLNW-IBGZPJMESA-N 427.516 1.914 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCS1(=O)=O 1748915464 UWRRNXZGOOEULO-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1748989255 JJMBAWLHRICFTP-RTBURBONSA-N 448.637 1.056 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCOC2=O)CC1 1749000079 MOTRHUPNWJRDKJ-UHFFFAOYSA-N 442.495 1.594 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2sc(C)nc2C)CC1 1749008640 FTFWZLRJKAGYBX-UHFFFAOYSA-N 436.545 1.823 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1749464750 CZPDVSKROTYGPO-ZDUSSCGKSA-N 438.520 1.785 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCc1cnccn1 1749650016 HCXUJZHVESXXIH-UHFFFAOYSA-N 448.531 1.918 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749676168 HFOHRZYUPDWPGN-IBGZPJMESA-N 447.547 1.461 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC[C@H](CO)O1 1749827880 NOJKRZQVUCNBJF-ZWKOTPCHSA-N 443.504 1.623 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cs1 1751782726 MNRQAFCLXHYXLF-OAHLLOKOSA-N 436.563 1.187 30 10 IDEE C[C@H]1C[C@@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1752048201 FTKOIXHYZKDZFA-YJBOKZPZSA-N 430.534 1.781 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CC(F)(F)F 1760104755 FPMWYZLZMJYQPC-AWEZNQCLSA-N 433.442 1.873 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760192815 OKBLOLKPPYIOLW-PKOBYXMFSA-N 430.530 1.813 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1cncn1 1760233271 TVCDEVVICHQHED-UHFFFAOYSA-N 431.504 1.816 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1760269242 BZILMFIXOQWRTA-PGRDOPGGSA-N 446.621 1.185 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760515730 RATWMOGAQSECQM-QGZVFWFLSA-N 448.531 1.600 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc(Cl)cn2)C1 1760535228 NJJKENYPUXPFCC-ZFWWWQNUSA-N 443.961 1.220 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1760557469 MMZNOPQDECOUCD-FQEVSTJZSA-N 444.492 1.772 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760685304 SAVDJERODBOMTG-YLJYHZDGSA-N 437.548 1.928 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1=O 1761120597 CKKHRPYZXRVUPB-UHFFFAOYSA-N 430.534 1.166 30 10 IDEE Cc1cn2c(n1)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)CCC2 1762196663 UPCSCRNJPJFURR-DOTOQJQBSA-N 446.581 1.711 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766561974 OEKGXVUCVLDNHQ-RBUKOAKNSA-N 429.569 1.955 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1767548409 GZQNJUVYHDAYCV-CVEARBPZSA-N 426.477 1.360 30 10 IDEE CNc1cc(N2CCC[C@@H]2Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@H](C)C#N)ncn1 1767837415 FYRWWKSXUIQFGQ-BRWVUGGUSA-N 425.541 1.879 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC[C@H]1C 1769089940 IBDKVPTTZRYKPS-JLSDUUJJSA-N 437.504 1.666 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1769290427 AVVDMSKJWQTKCR-MAUKXSAKSA-N 430.484 1.770 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1770159877 PQEFFDKYEJGTCJ-UHFFFAOYSA-N 436.520 1.540 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1F 1770633262 LNCRQWHKCJYWHB-HFTRVMKXSA-N 432.525 1.892 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1(C)C 1770657656 IEARVNBKPAINNU-KRWDZBQOSA-N 448.549 1.139 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCCCC1 1771295345 MUERVCMZQQMMFX-MDKPJZGXSA-N 434.516 1.847 30 10 IDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1848612973 FVJQQFNMIZBUTL-UHFFFAOYSA-N 428.514 1.865 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)CC1 1849763711 VLOBTJGRSFXTHS-UHFFFAOYSA-N 433.512 1.911 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(C[C@@H]4CCOC4)C3)CC2=O)c1 1853611500 SPBPLSPYVZMADA-ROUUACIJSA-N 430.936 1.801 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)CCC(F)(F)F)C3=O)CC2)CC1 1853729808 FFJBBBYGIHHQQF-MRXNPFEDSA-N 428.455 1.931 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)[C@@H]4CCCS4)C3)CC2)CC1 1857127592 SSJROGJSUBZXSR-HKUYNNGSSA-N 432.590 1.731 30 10 IDEE CCOC(=O)CN(C1(C#N)CCCC1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1857955988 UBZIHKMRFUTAJC-UHFFFAOYSA-N 433.486 1.314 30 10 IDEE COc1cc(C)ccc1OCC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890229484 YTOCLZQRBUGBBQ-UHFFFAOYSA-N 429.561 1.641 30 10 IDEE C#CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1993255911 AMUCGYGBPDZLAZ-MRXNPFEDSA-N 425.526 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2128734331 LTEZGVQGOPBGJG-UHFFFAOYSA-N 446.353 1.974 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2243403039 RARLSYGTHWSOHB-IAGOWNOFSA-N 440.309 1.896 30 10 IDEE C=C(CS(=O)(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962226 LZKUFIMVVHCXOB-LJQANCHMSA-N 446.375 1.465 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2248475562 CWBXOJWXTPKCJI-VBKZILBWSA-N 426.319 1.023 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254634027 CLDSOAJJEKSCGG-UHFFFAOYSA-N 432.330 1.292 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255627197 PGPRTWRLWQOPGH-NJDVURJYSA-N 438.309 1.834 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255654897 FOKJVPKAPZUVRH-KBPBESRZSA-N 434.346 1.895 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1NC(=O)OC(C)(C)C 2255658973 LMNAGPFUXNSIDY-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255706798 OFHMTBMWNZTKRH-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2267189157 WKUNVXWFVATQPL-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267263922 LITCZOJFLBTHFR-RYUDHWBXSA-N 442.247 1.305 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267266833 SNWVYDFHWQUKTQ-HZPDHXFCSA-N 447.341 1.745 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267547474 LGJSJJCODDHZQD-OAGGEKHMSA-N 444.341 1.904 30 10 IDEE C[C@@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)C(F)(F)F 2267592364 DGMUKTYERABMDD-IUODEOHRSA-N 441.259 1.910 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2290342137 CPGDPENPRWSQNU-OAHLLOKOSA-N 441.322 1.358 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2315527861 AJGGYBYDANDKKR-KGLIPLIRSA-N 434.346 1.752 30 10 IDEE Cn1cc(C(=O)N[C@H](CCO)COCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2320443501 VVZGICGLAXIQQI-QGZVFWFLSA-N 429.326 1.417 30 10 IDEE Cc1nnc(SCC(=O)NC2CCCCC2)n(N=Cc2cnc(N(C)C)nc2)c1=O 2321647876 VBGPTIFYIBKGKP-UHFFFAOYSA-N 430.538 1.226 30 10 IDEE CC(C)(C#C[C@@H](OCCN)c1ncc(I)s1)S(C)(=O)=O 2365243076 HHVUPZFVTRLTFV-SECBINFHSA-N 428.317 1.591 30 10 IDEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NC[C@H]2CCCO2)n1 14157642 NVLDFCOWHADETN-QGZVFWFLSA-N 435.598 1.227 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 46791599 BRPUAAGYEJSMCF-IRXDYDNUSA-N 442.541 1.537 30 10 IDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4ccccc4Cl)[nH]3)nc2n(C)c1=O 105377897 NUOZIBBKACFJIW-CNHKJKLMSA-N 431.869 1.329 30 10 IDEE NC(=S)N1N=C(c2ccccc2)C(=NNc2ccccc2C(=O)N2CCOCC2)C1=O 252462472 SOCIZXRHMPELIZ-UHFFFAOYSA-N 436.497 1.417 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 302894045 YFPGYXUPWJJCCA-UHFFFAOYSA-N 428.290 1.794 30 10 IDEE C[C@@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)n1cnc(C#N)n1 409475302 NDQOHBDYIZQYJE-NWDGAFQWSA-N 432.282 1.746 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 409857499 ZMYMGHSGBIUDBF-UHFFFAOYSA-N 444.922 1.512 30 10 IDEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 430491383 HZRHWKHTJBGNBD-KRWDZBQOSA-N 430.486 1.096 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447278139 AKMYJFZAWPMQDW-UHFFFAOYSA-N 442.491 1.841 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CCOC)C(=O)C1 460373582 HTQREWIXJLJRSD-UHFFFAOYSA-N 432.550 1.531 30 10 IDEE CCn1c(=O)nc(O)c2c(C(=O)N3CCN(c4ncccc4C#N)CC3)cc(C3CC3)nc21 498475861 TYQQYQJZYRGAON-UHFFFAOYSA-N 445.483 1.623 30 10 IDEE N#Cc1ccc(N2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)c(F)c1 507185449 XTUFWLZOOAGAEN-UHFFFAOYSA-N 441.532 1.865 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCC(=O)N(C)C)CC1 508831334 BQJJEADFIDVIBZ-UHFFFAOYSA-N 426.521 1.503 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 558986394 LBIRDGWPFLJNRF-UONOGXRCSA-N 437.488 1.966 30 10 IDEE N#Cc1cccc(C(=O)N2CCC[C@H](NS(=O)(=O)c3ccc4nc(O)oc4c3)C2)c1 586073418 AWGOQJQFHQCDIA-HNNXBMFYSA-N 426.454 1.988 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1n1cccn1 590534791 IOEIYZKNPBNOOI-GNBUJSLZSA-N 436.472 1.495 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3cnccc23)c1=O 611916092 FTGDHTXVDRJHSK-UHFFFAOYSA-N 436.537 1.522 30 10 IDEE O=C(NCC#CCNC(=O)c1ccc(-c2ncon2)cc1)c1ccc(-c2ncon2)cc1 681340273 DRNIAYRHBIMKRH-UHFFFAOYSA-N 428.408 1.950 30 10 IDEE CN(Cc1ccccc1C#CCN)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703980035 UPIZQBXTSGHIMG-UHFFFAOYSA-N 425.510 1.445 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC(C)C 730141116 MZEXDLMHZKHACC-KRWDZBQOSA-N 433.578 1.519 30 10 IDEE N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCN1C1CC1 732650307 NDZHWMZRLZGUKL-OAHLLOKOSA-N 438.937 1.173 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 750733339 KFUUGSKDNOXNPW-UHFFFAOYSA-N 435.527 1.421 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCSC)c2=O)cn1 751831170 LYOCCUXPPIJYHL-UHFFFAOYSA-N 445.614 1.441 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2C)nn1 757590070 HZHTZHCEWZYWCZ-GDBMZVCRSA-N 441.492 1.858 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 766323432 WFHCNXPUQPUMAZ-FOIQADDNSA-N 441.509 1.962 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1C 768421794 OOBWGRAJQWHKJV-KRWDZBQOSA-N 443.577 1.632 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 771021047 NVXVEZNCBQRYQL-DOMZBBRYSA-N 430.452 1.571 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2cc(C)cc(Br)c2)c1=O 772283134 XIJMCBPARYAQNG-UHFFFAOYSA-N 446.326 1.961 30 10 IDEE C#CCN(C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)[C@H]1CCS(=O)(=O)C1 774046823 OCXUXIYCCPGNAT-HNNXBMFYSA-N 430.490 1.203 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 774284192 MWIDRHUMYQFFMS-KRWDZBQOSA-N 444.561 1.036 30 10 IDEE C[C@@H](CC(=O)NS(=O)(=O)c1cccc(F)c1F)/N=C1/NS(=O)(=O)c2ccccc21 775032150 LRZYCZGGIIHMBE-JTQLQIEISA-N 443.453 1.287 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C 782816049 QZJQKBNBYYQNBB-LZWOXQAQSA-N 448.545 1.519 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(CN3CCOCC3)c2)n1 788880465 MEXFXIWEZRWXNS-UHFFFAOYSA-N 425.533 1.707 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(c3ncccc3C#N)CC2)CC1 795849087 RQTHJWGDXGFZAR-UHFFFAOYSA-N 428.537 1.545 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800774175 PLWHPHOHVOJDFP-QGZVFWFLSA-N 440.577 1.909 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 809890028 RUGRRMWQGPKTLK-HNNXBMFYSA-N 430.513 1.693 30 10 IDEE COC[C@@]1(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CCN(C(=O)OC(C)(C)C)C1 810585960 PJAATZRXDOLEQV-HXUWFJFHSA-N 437.518 1.945 30 10 IDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@]1(C)CNC(=O)OC(C)(C)C 812039114 XTFKALRWNWKFIZ-MMSYEBDASA-N 435.525 1.705 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)n3nc(C)cc3C)n2N)cc1 1083934723 LRSSAWJZINCWQO-UHFFFAOYSA-N 428.478 1.470 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)CC1 1136632678 GXDPAXZXUWWHIN-UHFFFAOYSA-N 439.516 1.002 30 10 IDEE C[C@H](CC(=O)NC1(c2ncccn2)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1156494794 QTEVESGKPWMRSM-CQSZACIVSA-N 429.502 1.116 30 10 IDEE COC(=O)[C@H](Cn1ccnc1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1161212550 XHIXGRSTHOMPGR-HNNXBMFYSA-N 432.278 1.311 30 10 IDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)ccc21 1164155938 XZMVRNYBNQUDAD-UHFFFAOYSA-N 431.496 1.976 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c1Br 1168506402 ZVLLYSREGYMLSY-UHFFFAOYSA-N 449.330 1.931 30 10 IDEE O=C(CN1CCS(=O)(=O)[C@H]2COCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1170997127 GMJTUQJMXKSORK-SJORKVTESA-N 430.448 1.061 30 10 IDEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1196392554 HDDGAKXWMYUQSP-UHFFFAOYSA-N 427.954 1.145 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1256150192 SYTMZBVJDDFXEQ-MRXNPFEDSA-N 444.536 1.805 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(I)cc2OC)CC1 1270235105 JCQNHYBGPCMJGS-UHFFFAOYSA-N 426.254 1.901 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1CCNS(C)(=O)=O 1286455126 BPXUCTSBPIFMKA-UHFFFAOYSA-N 428.493 1.668 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286457798 WOMBEEKVUYXVID-DENIHFKCSA-N 446.573 1.456 30 10 IDEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286707080 APZZOYXJCKXJJW-UHFFFAOYSA-N 435.550 1.628 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc2O1 1286727731 YLLFHCMSGMWOAJ-CRAIPNDOSA-N 449.533 1.073 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286783898 PKMIDXHTFYYQSW-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1286793222 VQBXGXSTFBCESV-HNNXBMFYSA-N 429.477 1.167 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCSCC2)C1 1286802880 FBHXPXJDWPCUAW-GHTZIAJQSA-N 437.610 1.760 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CCOC)C1 1286808399 LFPASYWZLMBCEZ-QVKFZJNVSA-N 433.509 1.575 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1cccc(F)c1 1288803815 FQIQEYPMLGHYJM-AWEZNQCLSA-N 436.513 1.846 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2=O)n1 1292596054 FXVQIAGLNCDOIB-UHFFFAOYSA-N 445.483 1.935 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1296240644 JRSIEEUXZMGGDI-FUHWJXTLSA-N 429.569 1.511 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1299626675 FHBSNNMJVLYVEQ-QGZVFWFLSA-N 442.516 1.789 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1300431947 PMEPXWKFEQGPSS-QFIPXVFZSA-N 426.521 1.280 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300492287 MQPZZWXSJYFSSA-OAHLLOKOSA-N 443.558 1.451 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)N(C)C 1300546918 ACXBYZKMEKAQGB-UHFFFAOYSA-N 431.587 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)C2CC2)CC1 1300733461 WGBGYIRPUHBZPH-ZCNNSNEGSA-N 445.564 1.393 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1300888341 JDQAXDWIMXLKMP-GCJKJVERSA-N 440.548 1.540 30 10 IDEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)N(C)C)CC1 1301129169 LGWNJBVTILBROQ-UHFFFAOYSA-N 443.577 1.810 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1301295882 BRDSTAMGIHZUKJ-ROUUACIJSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 1301491460 RDWLVJBLBVZMAD-UHFFFAOYSA-N 425.537 1.191 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@H]2C1 1301510356 VGPROCHNRBETQF-INIZCTEOSA-N 443.577 1.246 30 10 IDEE CNC(=O)CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 1308018307 ATEGCKVAYVNYIV-IBGZPJMESA-N 425.558 1.705 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O)C1[C@@H]2CCC[C@@H]12 1314701118 LBXIJGURSJGFIK-IAGOWNOFSA-N 430.534 1.513 30 10 IDEE COCCCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1316031200 JGCYCBCTSYFMMG-MAUKXSAKSA-N 449.533 1.673 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1352234636 LBAWAJHNYWWCSS-UHFFFAOYSA-N 449.254 1.659 30 10 IDEE C[C@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1352278087 VSGMVUBSCJCZJH-LLVKDONJSA-N 426.882 1.054 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C 1358876233 FNBCHAHCCGWKHT-OAHLLOKOSA-N 441.561 1.744 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(N(C)C)CCSC1 1358948664 HWCXDRRVNFSXQP-QFIPXVFZSA-N 440.621 1.959 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1358985881 JIITWCBFJBBRJQ-ZEQRLZLVSA-N 439.560 1.793 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CC)CCOCC2)CC1 1359028193 KDQZOLYLAHYSOR-UHFFFAOYSA-N 437.548 1.887 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2occc2C)CC1 1359048121 GAFQONMRJLVRKH-ICSRJNTNSA-N 441.532 1.918 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359055870 REZDSMUOHMKVSP-IRXDYDNUSA-N 445.593 1.178 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335429 LITGDTWGPWHDNB-YLJYHZDGSA-N 442.582 1.535 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359341269 QSVNZWABRSHJAQ-HXUWFJFHSA-N 442.549 1.469 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC(O)C1 1443890208 FXTMANNMNVREKD-MVBMGLOESA-N 428.533 1.889 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 1446279600 JNBNCVNBSXMLEN-UHFFFAOYSA-N 445.955 1.966 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)s1 1471752841 AYYJERNAESWWII-ZDUSSCGKSA-N 429.564 1.881 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1472594858 GJNAYSPJOFSHQE-HXUWFJFHSA-N 429.498 1.854 30 10 IDEE C[C@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1473663785 SZXSWYAQSMZIGH-GOSISDBHSA-N 428.917 1.548 30 10 IDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1475477362 VIKHZLPXWVVTNC-UHFFFAOYSA-N 429.608 1.990 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1504439878 AASGZFSIHYNFEJ-CRAIPNDOSA-N 440.504 1.509 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1505318624 OMTMTHABKRJECE-JKIFEVAISA-N 432.422 1.835 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1507689474 KRKSFVVVIIUWPC-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507692611 ZAXIAFOKOQZQGQ-UHFFFAOYSA-N 435.532 1.978 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2Cc2cnn(C)c2C)n1 1507715691 BHAOPHUKKWOQMF-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1507715863 JJNSUCBKYIIGOB-VQTJNVASSA-N 427.597 1.390 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OCC(N)=O)CC1 1507942085 MAHSTPWIHAKGKZ-UHFFFAOYSA-N 447.561 1.786 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1507956865 HOSJUMMKIFRKDZ-UHFFFAOYSA-N 446.596 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1508076145 CXZQKGJVQPRIHF-IBGZPJMESA-N 432.488 1.430 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508081255 IKTWZXDNMCLBIZ-QFBILLFUSA-N 428.512 1.543 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)noc2C)nnc1[C@]1(OC(C)C)CCOC1 1508094021 MBUIBFCJENXDGF-NRFANRHFSA-N 432.525 1.862 30 10 IDEE CCOCc1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516548735 SLVVJSSYRMIHHJ-WLLWXBRJSA-N 430.509 1.346 30 10 IDEE CN(c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1517055465 BEXYZYLKWLJOBA-MODMUFLJSA-N 440.479 1.760 30 10 IDEE Cn1c(=O)oc2cc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c(F)cc21 1524879684 OEVFJBZHILJFGI-AWEZNQCLSA-N 437.387 1.986 30 10 IDEE C=CCN(C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1528599808 HJTDQSTXHIVVQQ-HOTGVXAUSA-N 429.336 1.828 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cn(C)nc1I 1534447965 NMMLAZAOBOQAMY-UHFFFAOYSA-N 442.217 1.564 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1539226259 WMBDNINRZQETGL-INIZCTEOSA-N 439.488 1.520 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CCN1CCCS1(=O)=O 1539382743 PZMVQNWAIKUODW-UHFFFAOYSA-N 433.534 1.361 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539779520 ZVSPZWNBCWDAHN-QZTJIDSGSA-N 426.993 1.971 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1539884666 NGRDZGYMZCVBRH-INIZCTEOSA-N 446.552 1.925 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540035961 IPOQKRJHFXWURH-MRXNPFEDSA-N 432.525 1.285 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1541997404 DQYSJIZQBVZJMT-SFHVURJKSA-N 435.532 1.823 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCN(C(=O)OC)CC1 1546490366 UYQSRCJAVCUQMV-UHFFFAOYSA-N 425.493 1.854 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)CC2=O)cn1 1554338359 RRMUDPHEBKVXNI-UHFFFAOYSA-N 448.531 1.956 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCC(F)F 1555754159 YFNJCFXCNLFDCS-LESCRADOSA-N 440.495 1.460 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1556399650 UBCWPHMNAPISKQ-IHSNIMORSA-N 428.551 1.366 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1557240705 LZVNTGSYUWRNIU-QFBILLFUSA-N 442.541 1.971 30 10 IDEE C=CC[S@](=O)(=NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccccc1 1558718271 CEYKTPODPQYWJK-YVGXBJCXSA-N 431.489 1.968 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1 1584077662 ZQTGKJDJQCRNAO-KKSFZXQISA-N 434.514 1.028 30 10 IDEE C=CCn1cc(CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)nn1 1584318986 DNJNUFUIQSORKT-UHFFFAOYSA-N 432.278 1.919 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)C(=O)C1 1587813464 NEHOBZDQZOZNNT-UHFFFAOYSA-N 449.353 1.755 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588054317 NKABDOBDGXVLAL-ROUUACIJSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588070230 XMZIUPWPQRTZSP-NQIIRXRSSA-N 448.593 1.173 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1593741529 RKGKJLNHQLZOAE-QZTJIDSGSA-N 432.569 1.811 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1593747349 UXVSHUDWYAGOEX-QZTJIDSGSA-N 443.552 1.772 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1594009517 LUUUHCDMEAQRCL-KRWDZBQOSA-N 439.520 1.577 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1595475197 BNDGWWHEOHRRDW-HNNXBMFYSA-N 446.483 1.748 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1595730724 YHAGIHFZGMLDSF-HNNXBMFYSA-N 425.580 1.970 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c1 1611170828 KQPMQSZIBSZJQY-UHFFFAOYSA-N 446.550 1.954 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1618137889 OSJAIRBYBDVVEG-XUTLUUPISA-N 439.520 1.673 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1618528849 LQSBVSDFUCMMBH-QGZVFWFLSA-N 438.536 1.495 30 10 IDEE COCCN(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1619875577 YLIRDBAMJDVQMY-UHFFFAOYSA-N 429.525 1.714 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1619912346 ACWHGQCXMNWMRG-DLBZAZTESA-N 447.565 1.321 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)F)c2)CCO1 1620356129 SNJRAZQVHLUODW-CVEARBPZSA-N 437.472 1.895 30 10 IDEE C=CC(C)(C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1624974998 WULUGYWUCBOHEX-UHFFFAOYSA-N 443.953 1.970 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)c1 1627523760 VHYFHFXTUIKIKD-SFHVURJKSA-N 428.514 1.252 30 10 IDEE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1629029221 JPKFGEBMOBWYIV-JTQLQIEISA-N 447.293 1.929 30 10 IDEE C#CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1633895003 NZUGGAZHWKRALY-SFHVURJKSA-N 447.557 1.180 30 10 IDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1634515026 LIWIGACAPBPYQI-OXQOHEQNSA-N 445.520 1.646 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1635882449 VTJUILKZOSSLRV-UHFFFAOYSA-N 447.448 1.233 30 10 IDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C(=O)OC 1638825883 FEIGXUJUBDMGMU-INIZCTEOSA-N 432.454 1.496 30 10 IDEE C#CC[C@@H](CO)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1641745413 FUEAKSLAZCVIFZ-CVEARBPZSA-N 430.530 1.045 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 1649049141 SKJINFVFYAQISB-RUCARUNLSA-N 432.523 1.333 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)C2CCC(S(C)(=O)=O)CC2)c(=O)c1C#N 1650982842 MJGGMMIIEFCIOP-UHFFFAOYSA-N 430.324 1.773 30 10 IDEE O=C(CCn1cc[nH]c(=O)c1=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1653039779 UVDCEHFXYDYONO-OCAPTIKFSA-N 435.271 1.556 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1654098170 YDHZHCFXEVQLAP-KDOFPFPSSA-N 443.495 1.457 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)n1 1665082610 KEYWROVLAMFPOJ-UHFFFAOYSA-N 433.534 1.756 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N(C[C@@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)C1 1676031221 VQLNLZWTGXQQKP-LEWJYISDSA-N 430.549 1.902 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1689853381 RWZQFOQLOTXFMM-BZSNNMDCSA-N 439.582 1.418 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689901879 RGKLDPYBXZHUKJ-IBGZPJMESA-N 428.562 1.570 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1689994401 XLKKEXUMCCCRRO-RXVVDRJESA-N 438.594 1.425 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)CC1 1690124677 QZAPRWARMXCFJM-GOSISDBHSA-N 435.594 1.021 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1690206537 TZCBOMPBWUDPBU-SIKLNZKXSA-N 443.573 1.960 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1690236498 NNOKYNFDZXZWKA-PKOBYXMFSA-N 439.520 1.575 30 10 IDEE C=CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690472075 CRCYRLRFDMDWKZ-GOSISDBHSA-N 436.557 1.543 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690665775 PFXWSGZMYJQCDF-HNNXBMFYSA-N 431.928 1.600 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1690700753 XAVPPTROHQGNPQ-PKOBYXMFSA-N 432.546 1.910 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)CC1 1690723818 BMOUDTPPKDPKNZ-GOSISDBHSA-N 425.599 1.551 30 10 IDEE CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1690967967 UEIJKUMOLYAIRC-HXUWFJFHSA-N 447.902 1.830 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCOCCS(C)(=O)=O 1696689705 XXIPTOACFWZQEQ-GOSISDBHSA-N 433.534 1.351 30 10 IDEE CN(C[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1696753944 KKCJWYXJGRVZJD-HZPDHXFCSA-N 448.549 1.403 30 10 IDEE COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCCC1 1697233495 HNWSNFKHZANVSO-HOTGVXAUSA-N 440.570 1.166 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1705524503 MSFWIBLLFQBFBB-INIZCTEOSA-N 442.549 1.519 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)COC(=O)N2 1705526812 LWPOKROXBRFCQM-UHFFFAOYSA-N 443.529 1.841 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1705579174 PHSSTHMAJIPGJH-LSDHQDQOSA-N 430.468 1.553 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)OCCc2sccc21 1705627289 BYJCEHXPTCQHJK-HRAATJIYSA-N 429.546 1.865 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](COC)OC)CC1 1705649594 BGBSNSMPTUZEJU-SFHVURJKSA-N 431.562 1.558 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705652040 OHKOSKRTBQPLGD-HXUWFJFHSA-N 431.566 1.268 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCCc2ccccc2)CC1 1705763338 SZHFSEPUNUNRII-KRWDZBQOSA-N 446.577 1.404 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1705895209 XWZHIIGGNQCZNK-UHFFFAOYSA-N 442.568 1.448 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1COc2ccccc21 1706870427 BTDCAJHAQPIULQ-NJSLBKSFSA-N 434.497 1.506 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)C1 1706934675 DSNZJVUEWJKLEG-UTKZUKDTSA-N 448.593 1.713 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCC(F)F)CC2)c1C#N 1707807614 HIPLWMIBYIZSKC-UHFFFAOYSA-N 445.478 1.795 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1708219589 DIGZMODSXORDKD-JHBCHSCWSA-N 437.504 1.406 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1711367402 MGPLGYAMAJVKIJ-MRXNPFEDSA-N 427.490 1.098 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722330253 QYHGVEFVXCGUBV-UHFFFAOYSA-N 437.508 1.149 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sc(C)nc2C)CC1 1722437332 LRYGSZJXWIQXJH-MRXNPFEDSA-N 434.591 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC=CO2)CC1 1722443359 HSBUASQGQGPEMC-CVDCTZTESA-N 443.548 1.589 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1722463658 JCWJMZBEQKMCCG-QGZVFWFLSA-N 431.537 1.883 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N1CCOCC1 1722509796 YKFDKYPLLWCVLN-LPHOPBHVSA-N 427.509 1.011 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722608968 OXUNIKMEJZLJQY-CVEARBPZSA-N 440.614 1.986 30 10 IDEE C=CCOc1ccccc1Cn1c(Nc2cnn(C)c2)nnc1[C@@H](C)NS(C)(=O)=O 1722708475 VDBMXCORJYOTQX-CQSZACIVSA-N 431.522 1.979 30 10 IDEE C[C@H]1CCCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1726575228 APEDYUXTXQDHMJ-OALUTQOASA-N 429.569 1.755 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1727643882 BTPWJDGZUGJUBY-UTKZUKDTSA-N 428.493 1.546 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1729409176 CDZCQYBNHZBHDU-LJQANCHMSA-N 444.561 1.919 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1730762609 HOZFFNQLPXSJJW-SFHVURJKSA-N 439.520 1.346 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCC[C@@H]1OC 1730868942 LCHSYTVRCQYGIA-LFGUQSLTSA-N 432.569 1.994 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740626840 NPKKOYRBQQVRTO-MOPGFXCFSA-N 435.594 1.631 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CC1 1740696236 OTKKWSCEGTUXQD-HXUWFJFHSA-N 448.637 1.202 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1740700550 VSSOLYZISHNFNE-UHFFFAOYSA-N 442.539 1.594 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1740744416 ARHJVQUDWGDYFP-LSDHHAIUSA-N 444.399 1.763 30 10 IDEE C=C(Br)Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1740748550 HSIXQCQFUJQLTE-KSSFIOAISA-N 442.358 1.894 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2OCC)CC1 1740959858 GANMZDRLRPJVKH-GOSISDBHSA-N 440.548 1.810 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740960236 NTQBDQDAJCRNPJ-UHFFFAOYSA-N 426.587 1.077 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2NC(=O)CC2(C)C)C1 1740983895 RUHUVWZCUBJWMJ-ZWKOTPCHSA-N 427.553 1.836 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1741198630 HHANRZXQUOWPOD-SFHVURJKSA-N 425.537 1.875 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1741922195 OMQHYMQCFIZLLA-VBKZILBWSA-N 449.581 1.029 30 10 IDEE Cc1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742854129 LDWKJKQPSOZJBR-XKXPVHLMSA-N 436.516 1.951 30 10 IDEE CNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1748203045 GCPKMYJTYLYSTN-YJBOKZPZSA-N 428.493 1.477 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748814246 BRICYWLHQKORBG-WKRCXCSHSA-N 438.594 1.944 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCC)CC1 1749000853 BQFKGKQGZFWTTG-HDICACEKSA-N 432.569 1.841 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2CCN(C(C)=O)CC2)CC1 1749014757 NGPBIABUQWFKIJ-UHFFFAOYSA-N 428.581 1.701 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(N)=O)CC1 1749033584 JEXNEIMBXFULJR-UHFFFAOYSA-N 430.534 1.464 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749034010 UILTWUSJVJKCJL-LAUBAEHRSA-N 429.521 1.833 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC(=O)N(CC)CC 1749053850 MUEBGZNYZVHJMP-OXJNMPFZSA-N 438.598 1.529 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 1749126734 GHCAOBGHAQASLJ-LAUBAEHRSA-N 442.564 1.996 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749671583 FHGCPAXYKLHASX-KRWDZBQOSA-N 428.512 1.663 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1752387234 DAZGKJRFWPRJFP-MRXNPFEDSA-N 440.504 1.236 30 10 IDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760142148 SXTAUDOJVCECNQ-UHFFFAOYSA-N 449.559 1.742 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1760184639 XRRWRPIPKZZGLS-QGZVFWFLSA-N 435.550 1.051 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760191515 ITURBEUCEIOQQG-ZWKOTPCHSA-N 431.562 1.384 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1760203524 HKTXMZKVJMRTBF-ROUUACIJSA-N 430.553 1.609 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1760253401 PRXYCWJLYFANEJ-GOSISDBHSA-N 433.534 1.172 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCCSC)CC1 1760262494 ZLFOOUOXFHFKKM-SFHVURJKSA-N 439.651 1.859 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760336313 XFKWOHLZAAAOFD-UYAOXDASSA-N 432.569 1.021 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760347737 SOMOVJKZAGMATJ-UHFFFAOYSA-N 443.596 1.501 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760445754 VAWGGASFZWZHBZ-NRFANRHFSA-N 425.493 1.377 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1760528533 FZRCUQKWYLVBMY-JTSKRJEESA-N 433.553 1.364 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1769350025 UNDUOHITKFDMBK-LJQANCHMSA-N 439.520 1.474 30 10 IDEE COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1769739862 DFMBLJPQCOVXFO-UHFFFAOYSA-N 438.532 1.711 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N(C)C 1770010783 ZSYNOHCEYAEKRI-LSDHHAIUSA-N 429.525 1.487 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(C)=O)nc1 1771112011 CYSHULLIVLZUDC-SFHVURJKSA-N 427.509 1.940 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccc(I)cn2)CC1 1851470307 CEXARPGYFINQHG-UHFFFAOYSA-N 448.268 1.714 30 10 IDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1851537290 FWFJWPFHMBYWGS-UHFFFAOYSA-N 441.435 1.800 30 10 IDEE C=CCN(C(=O)CCCn1nc(C)n(-c2cccc(OC)c2)c1=O)[C@@H]1CCN(C)C1=O 1852817267 BGRVCDRDWGMKKU-LJQANCHMSA-N 427.505 1.377 30 10 IDEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCC(=O)O)cc2)c1 1858674916 XSQXBZNZBBWMLG-UHFFFAOYSA-N 430.442 1.550 30 10 IDEE COc1cc(OC)cc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1870095442 KICJCDIQADTNKD-UHFFFAOYSA-N 442.457 1.915 30 10 IDEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCC(O)CC1 1870378000 GDIUJYJFQCKYGC-UHFFFAOYSA-N 437.496 1.666 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870732620 OZENPVIGKRDUBM-UHFFFAOYSA-N 442.491 1.855 30 10 IDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873561419 YGTJPVNLGBMHOR-UHFFFAOYSA-N 427.505 1.558 30 10 IDEE COCCOc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890275258 BXTHVUJANGLGME-UHFFFAOYSA-N 429.561 1.584 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)=C[C@@H]1O 2141666160 VAOHCZSSNQIAER-CVEARBPZSA-N 445.325 1.904 30 10 IDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO 2211148938 NHULYLUDADJNRX-WCVJEAGWSA-N 425.526 1.752 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2247921965 YPSONZYDOSRQKN-QWHCGFSZSA-N 439.343 1.152 30 10 IDEE CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608343 KKAYFRCXTWAMJW-QFIPXVFZSA-N 428.342 1.918 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2255627854 ZFWUUQILNXCHRJ-ZFWWWQNUSA-N 432.330 1.790 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255632655 PNXPPQRAMLHKMN-ZDUSSCGKSA-N 438.334 1.009 30 10 IDEE CON(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255695096 BBROYROBDPGTAB-UHFFFAOYSA-N 434.302 1.399 30 10 IDEE CC[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2255699312 WSKBCUXHLSIVET-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE C[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)C(=O)OC(C)(C)C 2255874587 MXXZDSZBUQKIEQ-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255880418 FTZKIGVSTCOPBW-QGZVFWFLSA-N 428.220 1.059 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC/C=C\CNC(=O)OC(C)(C)C 2256401630 FDRLVZHWPLKAKZ-KHPPLWFESA-N 434.346 1.838 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)O 2256916256 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N/C(=N\OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 15572938 HMSPXSCTPYDTCH-UHFFFAOYSA-N 436.921 1.510 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC(=O)Nc3ccccc3CC)cc2C1=O 27566915 CLRLXDWAQZFNDE-UHFFFAOYSA-N 449.463 1.943 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 438951681 JWIOFKQCPOSTGC-QHSBEEBCSA-N 446.403 1.691 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4)[C@@H]3C)CC2)c1C#N 466840790 JQQOSAKGHCKZAC-XLIONFOSSA-N 435.532 1.621 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 488630793 WHWCJQMNLCCGCJ-DOTOQJQBSA-N 426.473 1.953 30 10 IDEE COc1ccc(CCCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1OC 492416796 LFWIYNFJMHMZJL-UHFFFAOYSA-N 448.483 1.903 30 10 IDEE CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2CCC(C)(C#N)CC2)c(O)nc1=O 506028854 ZQOLCALTEHBCEU-HNNXBMFYSA-N 434.541 1.325 30 10 IDEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 508883735 CFQDTUDQFJORPM-HXUWFJFHSA-N 437.592 1.757 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 512718200 JZPZCWQXZIVVMT-OAHLLOKOSA-N 439.343 1.793 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)Cc1cccc(C#N)c1 531391297 PSNJHAINHUWLBV-UHFFFAOYSA-N 428.514 1.684 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(C)C)c2=O)c1 538497937 XYDWRGJYCJUQBW-UHFFFAOYSA-N 426.542 1.403 30 10 IDEE C[C@H](CCN1CCN(c2cccc(C#N)n2)CC1)N1CCN(c2cccc(C#N)n2)CC1 545504836 DRMQBESVGBREQJ-HXUWFJFHSA-N 430.560 1.943 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CCS1(=O)=O 559172101 HYERHUIRDYXBKI-QGZVFWFLSA-N 445.545 1.779 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C3CCCC3)cc2)c(=O)n1CC(N)=O 569869831 KAFSRRRIEJMWFE-UHFFFAOYSA-N 435.549 1.925 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)CC2)o1 578393631 JOJDELGTPYUYLN-KRWDZBQOSA-N 443.529 1.651 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 669806492 NCPHAQXHOOBESY-QZTJIDSGSA-N 433.534 1.963 30 10 IDEE N#CCNC(=O)c1cc(I)cc(I)c1O 701289547 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ZKZHPFBGFKFYNG-UHFFFAOYSA-N 443.504 1.839 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 765693977 ARSFHDZFOQAMMN-GDBMZVCRSA-N 436.534 1.741 30 10 IDEE N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 767879478 GPQYDOWEWQFYCL-UHFFFAOYSA-N 441.553 1.487 30 10 IDEE C[C@@H](NC(=O)c1ccccc1)C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790839596 QOYGHXVQJQBNNK-LLVKDONJSA-N 436.287 1.944 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CCSC2)C1=O 794442076 RSLRDJSOAKBHNY-HOTGVXAUSA-N 449.602 1.290 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NN=C2NS(=O)(=O)c3ccccc32)C1 794492090 CPCPPVOFNHVETE-CQSZACIVSA-N 449.533 1.474 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCOCC)c2=O)cn1 794611594 BXUMAUNACVYPJA-KRWDZBQOSA-N 444.557 1.052 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H]2CCCO2)CCN1C1CC1 802683533 WMIMYOHGYIUOPD-IAGOWNOFSA-N 446.515 1.949 30 10 IDEE CC(C)Cn1c(N)c(C(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c(=O)n(C)c1=O 803922367 JVUTUXGENOUZLZ-UHFFFAOYSA-N 442.447 1.254 30 10 IDEE C#CC[C@]1(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 809644947 ZLDLCMDGRHHWHD-JOCHJYFZSA-N 428.489 1.633 30 10 IDEE CCn1ncc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)n1 815427711 JMMTYJQPJMKRKD-AWEZNQCLSA-N 426.477 1.824 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1OC(F)F 837820124 YBTFBYKPZATPCV-CQSZACIVSA-N 433.436 1.725 30 10 IDEE C=CCc1cc(OCC)cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1O 919939885 INCGVYFDBLDNFO-UHFFFAOYSA-N 425.551 1.214 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2c(F)cc(F)c(F)c2F)n1 1117063884 WWMDQNCXHJFARP-UHFFFAOYSA-N 426.370 1.364 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2nnnc2-c2ccsc2)cc1 1125202239 HZYVGLHPEAZTLH-PGMHBOJBSA-N 445.530 1.853 30 10 IDEE CS(=O)(=O)c1ccccc1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1129758156 OWPYIYRFFZSFRZ-QGZVFWFLSA-N 440.481 1.483 30 10 IDEE C#CCN(C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)[C@@H]1CCS(=O)(=O)C1 1142047151 ZEVQDCSWTBUHDH-GFCCVEGCSA-N 438.849 1.402 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1168614857 WULFXGGYFLIJMO-MRXNPFEDSA-N 442.541 1.934 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 1175514967 LTRXDJTXPMKILG-UHFFFAOYSA-N 431.518 1.260 30 10 IDEE CN(C(=O)c1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1)c1ccccc1 1181000102 KIGFIJTXHZKUQD-UHFFFAOYSA-N 429.436 1.794 30 10 IDEE C#CCCN(CCOC)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1196385794 HUOCMYGYMXVJDW-UHFFFAOYSA-N 429.926 1.865 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1212343165 AHEUKKUSDGSTBC-UHFFFAOYSA-N 433.555 1.905 30 10 IDEE C#CCN(C(=O)NC[C@H]1CC(C(N)=O)=NO1)[C@@H]1CCOc2ccc(Br)cc21 1248642722 IOAGLXRXCQHCIJ-IUODEOHRSA-N 435.278 1.548 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1286431090 SEJPMGZUBDFFLL-UHFFFAOYSA-N 441.499 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286490816 SWYZNQMVCPUGJH-ROUUACIJSA-N 428.581 1.621 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286707058 WQGAHSJRUWZEJA-UHFFFAOYSA-N 430.553 1.556 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cl)=C(Cl)C1 1286819709 SXSNIZMINOLUMB-CYBMUJFWSA-N 434.349 1.729 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286821284 GFKUCDRIDUEYCB-SQGPQFPESA-N 426.583 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)NC(C)C 1286825624 UHVUNZMTEZJQIE-CYBMUJFWSA-N 443.480 1.537 30 10 IDEE COc1cc2nc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)c(=O)n(C)c2cc1OC 1290342668 HOVHPBNTSPNLIY-IBGZPJMESA-N 447.495 1.973 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2CCOCC2)n1 1300680960 HQZMOINBOSZZFU-UHFFFAOYSA-N 436.520 1.644 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300761192 ACHHHOPOAUFDOC-CRAIPNDOSA-N 448.570 1.780 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1300778144 NOYKPSTYBATYAT-PGRDOPGGSA-N 447.605 1.888 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1c(CC)nn(C)c1OC 1300814036 ZLMDTLZWKVEHPG-JOCHJYFZSA-N 425.537 1.745 30 10 IDEE N#Cc1cccc(C2(NC(=O)c3nc(S(N)(=O)=O)c4ccccn34)CCOCC2)c1 1300992919 PHCOFTNJARQGML-UHFFFAOYSA-N 425.470 1.289 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CCCO)CC1 1301063564 DITBXUQWAUFNCQ-SFHVURJKSA-N 425.537 1.929 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301507131 XLUFJULJAYBNAF-PNLZDCPESA-N 426.521 1.339 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1302106712 YGZXGNRYZGRSBF-LZQZEXGQSA-N 431.493 1.899 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)CC1CC1 1302273505 YBSKKQJPXYOKCB-ROUUACIJSA-N 437.566 1.567 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1302502238 FXVZMTYUGKINSQ-WZONZLPQSA-N 438.532 1.947 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)C1 1303558184 JFRKDNTWEQWOOH-JTQLQIEISA-N 434.743 1.577 30 10 IDEE Cn1nnc(NS(=O)(=O)c2cccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)c2)n1 1304119113 XHAMLRRGWULIFS-JXMROGBWSA-N 430.421 1.371 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C1CCOCC1 1313042710 IRDSSWLVQCSRCI-OAHLLOKOSA-N 425.473 1.413 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CC[C@](F)(C#N)C1 1314629455 POMXVRKPFOEGBT-LZJOCLMNSA-N 433.532 1.514 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)cc1 1354942654 MDKHAKYGJBUQHD-WKSXIXGESA-N 445.538 1.745 30 10 IDEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccc(C#N)cc1 1356377690 HFDVHGAHGWETEL-UHFFFAOYSA-N 430.486 1.061 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1358890077 KPXRERRXPKSDKH-YESZJQIVSA-N 439.582 1.799 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1358949157 UGRWVAIPEHIPMA-LJQANCHMSA-N 442.589 1.929 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358965849 CAIWUNITHRYCGK-SFHVURJKSA-N 449.621 1.942 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1358969612 SLJQIZLCOKHNDL-HNNXBMFYSA-N 446.602 1.539 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1359025245 IGZKGCXYPSZFKN-UHFFFAOYSA-N 431.924 1.467 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)N(C)C)CC1 1359033153 RIXZSHWIVCEVTN-UHFFFAOYSA-N 431.338 1.551 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N[C@H](C)CC)CC1 1359044262 ASBCSRPYFVXCFE-IEBWSBKVSA-N 444.580 1.790 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359222073 XFNDHIQMEBTBKH-GOSISDBHSA-N 432.569 1.800 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1359298845 NLGUWVKQEYCIRI-UHFFFAOYSA-N 443.596 1.275 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359304845 LGIBZZWTQBNPIB-AWEZNQCLSA-N 432.912 1.480 30 10 IDEE Cc1c(C#N)c(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)nn1C 1437100847 XXKGAKCQNYPQQN-CYBMUJFWSA-N 429.458 1.176 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(I)c(F)c3)C[C@H]1CS(=O)(=O)C2 1439617814 URLBQZOFJJZGGG-HZMBPMFUSA-N 434.230 1.441 30 10 IDEE Cc1nnc2n1CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)[C@@H]2C 1440289704 CNFBDBGWYXRVFN-CQSZACIVSA-N 428.518 1.462 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1443538617 SRDRJNGPSOQCAY-FBMGVBCBSA-N 435.271 1.889 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1452774064 YXNJQBASTCXMDW-GTNSWQLSSA-N 446.451 1.031 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 1465872652 UDANWIWHKWVZET-UHFFFAOYSA-N 435.278 1.149 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[C@@H](NC(=O)OC(C)(C)C)[C@@H]4C[C@H]34)CC2)c1C#N 1466920953 BHKQGAHTQOTWDO-UIBIWLFHSA-N 428.537 1.798 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCCN1CCO 1468291925 PYYWGVRNJLMQPK-WMZOPIPTSA-N 436.578 1.103 30 10 IDEE N#Cc1cccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1Br 1472490523 LFJVHHBIQPOMMM-UHFFFAOYSA-N 447.333 1.897 30 10 IDEE C#C[C@](C)(CC)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1473487912 AQLNHHUKBYPFGM-JOCHJYFZSA-N 448.589 1.638 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 1475915742 WUMPYXNDTXFBFP-UHFFFAOYSA-N 429.564 1.974 30 10 IDEE C#CCC1(O)CCN(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1477242225 DNZTUJFHMAXMMQ-LJQANCHMSA-N 431.533 1.637 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccc2OC)CCOC1 1502727695 BVNXWWLRHPKGAV-AVRDEDQJSA-N 427.505 1.910 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1507640079 OZNYBWOGPACUOS-GOSISDBHSA-N 430.578 1.957 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1507680028 VWJRROZBNAQYNW-CABCVRRESA-N 442.586 1.603 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nccnc2C)CC1 1507717034 XWUAJOUWXRULIK-UHFFFAOYSA-N 431.504 1.022 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NCC)CC1 1507803665 CJEPMEFRQNJYIB-PXNSSMCTSA-N 445.568 1.233 30 10 IDEE C=CCCOCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507965309 DIYDCUXDQPOCHH-FGSXEWAUSA-N 449.552 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1508132033 UGXBKZGVFNROFF-QGZVFWFLSA-N 438.598 1.082 30 10 IDEE CC(C)(C)c1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508511639 UUIUVJTZOPSJBX-ZPHPHTNESA-N 437.504 1.765 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)[C@H](C)C1=O 1509425297 ZWLSMUKNPUEJHQ-OSPHWJPCSA-N 449.559 1.988 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)CCOC1 1509805814 NASCDTBYVVJGFX-DZFGPLHGSA-N 436.532 1.481 30 10 IDEE Cc1nccn1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1511613564 IJRYSTADANCWSE-OAHLLOKOSA-N 445.325 1.980 30 10 IDEE Cc1nnc(N2CCN(CCc3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511899227 ITWCKTHTMUOKEP-QURGRASLSA-N 435.532 1.478 30 10 IDEE CCc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1Cc1ccc(C#N)o1 1513911800 DEWISSSIRQTXLK-MRXNPFEDSA-N 425.537 1.923 30 10 IDEE CCCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1514542846 WOFREIRVZIFYKE-MRXNPFEDSA-N 437.504 1.737 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CC2)C1=O 1517367325 FSJSFJREUDLTIL-UHFFFAOYSA-N 433.394 1.900 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1519571625 ATLFONHNOXOAHT-UHFFFAOYSA-N 443.577 1.431 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 1535528295 KTZKRGJKRDCSTK-HZPDHXFCSA-N 430.571 1.894 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1539132084 CZBYMYZMVHQFMJ-INIZCTEOSA-N 426.525 1.389 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539232068 ZBUIIYFZOJERMD-IPMKNSEASA-N 435.594 1.488 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1539325242 DMHFCBDGGFUFAT-QGZVFWFLSA-N 444.536 1.186 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539340393 LRPQZJMTJRLYMN-ZWKOTPCHSA-N 448.593 1.178 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539375813 IRSLJCSPTDVQFK-PMACEKPBSA-N 442.589 1.928 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@](C)(O)c1ccccc1 1539392174 MUOVCCIPLLHCOF-QHCPKHFHSA-N 425.533 1.898 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CN(C2CC2)C1=O 1539421427 SHSMJSIXCRWKCB-JOCHJYFZSA-N 425.537 1.237 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2ccn(C)n2)n1 1539423666 BRFCPTPCHJZYKC-UHFFFAOYSA-N 433.520 1.548 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2CC2CCN(C(C)=O)CC2)n1 1539424509 RSAXDDDJOFWRMN-UHFFFAOYSA-N 427.553 1.582 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OCCOC)CC1 1539446867 KYCUYYVPUUGZNC-HXUWFJFHSA-N 425.533 1.611 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1539482682 WHQMGQFACINFMQ-RTWAWAEBSA-N 442.608 1.868 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539635657 HGJCMMSQZDBKRE-OXJNMPFZSA-N 431.541 1.673 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539701476 IQCSDOXOEBILFB-KRWDZBQOSA-N 436.538 1.736 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1540863977 LLMLZSNFRDZXHV-LJQANCHMSA-N 449.515 1.055 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1555555481 UVNPDABBDZQDMD-QGZVFWFLSA-N 449.519 1.751 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1555806321 GVTJFAAPHGMWHQ-SJORKVTESA-N 428.518 1.109 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1O 1555943109 ZHNPVPNCZOGLQR-QAPCUYQASA-N 445.545 1.513 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C 1556155037 COCBHQQCSHXWRT-RDJZCZTQSA-N 439.553 1.988 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2=O)cc1 1556457507 HVCMCXXSADHBMS-HXUWFJFHSA-N 448.479 1.159 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1587989788 PGLHGMCIWPZMAT-SFHVURJKSA-N 449.602 1.841 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccn(CC)c1=O 1588293214 RIGDJIZIZNSRKF-UHFFFAOYSA-N 429.488 1.610 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1588385862 LAFXIHIDCAYKDX-LJQANCHMSA-N 447.561 1.265 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 1588872203 YTBDOADKPNWRNF-UHFFFAOYSA-N 442.539 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1588929602 DPRRCPBYIAAUBC-DRKIFQHWSA-N 449.621 1.685 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1 1589568508 JYWOIHCMYKFCHH-UZLBHIALSA-N 438.523 1.769 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1593741616 SZURUNDPJIBWDG-INIZCTEOSA-N 431.566 1.913 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1594614777 AANULIFWWALZJU-CABCVRRESA-N 427.513 1.117 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1594733598 VSAWECHIPQHZFA-HNNXBMFYSA-N 426.568 1.670 30 10 IDEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1595033195 DIEZHMPQFMGYFW-UHFFFAOYSA-N 447.517 1.948 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](COC)C1 1595777076 ICDYOYQVZMQXMF-SFHVURJKSA-N 436.534 1.406 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595895982 RRFBAVDDUXCCTO-GOSISDBHSA-N 434.610 1.478 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CCOC1 1610350198 SWOKCOSBISRAKR-XZOQPEGZSA-N 441.532 1.978 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2=CN(C)S(=O)(=O)N=C2C)n1 1611073164 ZXLMUAJKNZCUPB-UHFFFAOYSA-N 439.548 1.274 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(CC(N)=O)CCCCC3)CC2)cc1 1616959833 YBBPTBFMOTUMCR-UHFFFAOYSA-N 432.546 1.653 30 10 IDEE Cc1ccc(N(C(=O)CN2CCN(C(=O)CC#N)CC2)[C@H]2C=CS(=O)(=O)C2)cc1C 1618010382 DUOQEYJLCRBPFY-IBGZPJMESA-N 430.530 1.005 30 10 IDEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)C(F)(F)F 1619102461 BFAVJCWRNAGLPU-ZWKOTPCHSA-N 446.445 1.406 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2COCCO2)CCO1 1620354268 ASPRBTMGVOQSBO-HZPDHXFCSA-N 434.294 1.852 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(Nc4ccccc4C#N)CC3)CC2)o1 1620462000 MBFBJVRUMWLFDN-UHFFFAOYSA-N 433.516 1.951 30 10 IDEE CC(=O)c1cn(C2CN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)C2)nn1 1622659215 LDEZNKJCBKSUHO-UHFFFAOYSA-N 428.243 1.500 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)CC1 1623049871 LOCAJLGCMKGUQN-UHFFFAOYSA-N 448.574 1.481 30 10 IDEE CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1627308663 HZYZILRPDVRGGW-UHFFFAOYSA-N 443.353 1.105 30 10 IDEE C#CC[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OC 1629617809 ZKHGVMZNXVBDQE-CTNGQTDRSA-N 433.464 1.181 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 1631636867 BWMBMZDOVZBCNY-KSZLIROESA-N 447.557 1.942 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)c1cc[nH]n1 1632876334 HZLVHRDWTQDSNE-XOKHGSTOSA-N 447.289 1.911 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1633498047 AIHPCQQCKCCHMX-OAQYLSRUSA-N 425.489 1.275 30 10 IDEE CN(C)CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1635120385 RDCFXGTWJIZMFV-IRXDYDNUSA-N 444.598 1.541 30 10 IDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1C 1641314276 BVMWEDANKSHULI-UHFFFAOYSA-N 441.557 1.784 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc(Br)c(C#N)c1 1645449244 SCLGMDYTOKXUIQ-QGZVFWFLSA-N 435.278 1.875 30 10 IDEE C=CCN1CC[C@@H](N(C)c2ncnc3c2ncn3C2CN(C(=O)OC(C)(C)C)C2)C1=O 1651012566 KEUQSTSABSOXRI-OAHLLOKOSA-N 427.509 1.841 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2cccnc2C#N)CC1 1651983734 FXHLHQFVKALRJG-UHFFFAOYSA-N 427.511 1.450 30 10 IDEE Cn1c(=O)[nH]c(Oc2cc(Br)cnc2I)c(C#N)c1=O 1652272895 KFDXTBOLIAVXBG-UHFFFAOYSA-N 449.002 1.500 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)CC1 1676200655 XPIMHQZNOUAIQA-IBGZPJMESA-N 447.605 1.213 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2)c1 1684751039 RRIMKFSWWXVMCV-QHCPKHFHSA-N 434.544 1.994 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1689988473 PUTGYDGVFNISQA-DEXQXJORSA-N 435.575 1.044 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689989025 ALOBFWXNPKOOCK-VQTJNVASSA-N 449.621 1.675 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1690668878 MPSRQIUXRNJDTN-UHFFFAOYSA-N 449.515 1.660 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CC(N)=O)CC1 1690674838 HDZRFJYUNNJXEE-UHFFFAOYSA-N 440.548 1.868 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1690744077 JKLAMIBSLLGTOV-INIZCTEOSA-N 441.623 1.452 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1696768420 NQDGYFVQQZISHL-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1=O 1696882268 BDNACFXOYYCDKV-QGZVFWFLSA-N 444.586 1.856 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H](C)C2)CC1=O 1698087621 IEEKXGYPOVKYOT-IEBWSBKVSA-N 438.532 1.927 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1705524897 UUJQWKRSUOGUSJ-APWZRJJASA-N 442.545 1.751 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1705539962 IPDINBRIZQOVLS-OAQYLSRUSA-N 436.560 1.981 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1705567466 WNSDLPRFVHBEFY-HOTGVXAUSA-N 435.575 1.530 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705572053 PQHFJTLUXXACKU-ZWKOTPCHSA-N 432.550 1.123 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCOC2)n1 1705631653 LSGATANIUVHATM-DENIHFKCSA-N 444.536 1.154 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCC(F)(F)F)CC1 1705632258 KYXWLXOPSVUJIB-UHFFFAOYSA-N 430.500 1.565 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCn2cc(Br)cn2)CC1 1705639507 PQUBVLGDTHVQJG-QGZVFWFLSA-N 448.369 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1705646480 GBOVKASZCLQLFL-UHFFFAOYSA-N 442.527 1.988 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)N(CC)CC)CC1 1705769272 NSKKCVHYJYACEH-ROUUACIJSA-N 440.614 1.498 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1705805767 NYWVBGCAFFHETO-SJORKVTESA-N 441.598 1.971 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705907717 VBOQRPVPQBWIOY-OAQYLSRUSA-N 449.559 1.776 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1706069669 FYIFPCXPRIOJHI-YOEHRIQHSA-N 432.912 1.873 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O 1711085442 HPYIKPBOYXCAHQ-UHFFFAOYSA-N 440.533 1.222 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712594310 LZCGHCKXCKVJAH-SLFFLAALSA-N 427.505 1.598 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](OC)C(F)(F)F 1712647707 HNWFJTSVSNKTEN-XGUBFFRZSA-N 433.431 1.698 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCOCC(F)(F)C(F)F)CCO1 1712885079 YMEFYQPDQCDLNE-AWEZNQCLSA-N 428.390 1.910 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1722316609 KGWHDUYWSYUFST-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722384462 WFMKQLQFAQGHIG-IIBYNOLFSA-N 446.960 1.814 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)C(=O)NC)CC1 1722441028 NFAPZBTVYZTYMY-UHFFFAOYSA-N 438.576 1.599 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1722446647 GVNKPDQUUKQWFE-UHFFFAOYSA-N 446.515 1.543 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCC2CCOCC2)CC1 1722447016 GTVIBIZAXCACFB-FQEVSTJZSA-N 429.565 1.955 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1722459180 FDCGXCLLEYNQLO-QGZVFWFLSA-N 446.602 1.268 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722527643 PURAXOLICPSJNP-KRWDZBQOSA-N 439.582 1.510 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722697099 VZHSGEJRYKVKBI-OAQYLSRUSA-N 447.543 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CC(N)=O)CC1 1722697452 KWSVDQJKIFZVOU-UHFFFAOYSA-N 449.515 1.994 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1722728925 ZWDHBHJALSXJSY-AEFFLSMTSA-N 447.536 1.963 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722729142 WYYDXHQXKOVHOE-QZTJIDSGSA-N 425.599 1.234 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1=O 1723455913 SJDRLYVMBRKPPF-UHFFFAOYSA-N 434.508 1.198 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CN(CC(C)C)CCO1 1740603136 HONZHFPAMAFGLQ-LJQANCHMSA-N 445.589 1.775 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnnn1C 1740678018 XUKPLXMFVRWIMN-JOCHJYFZSA-N 439.495 1.886 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1740698330 DHBDMDBDVPXLBP-UNMCSNQZSA-N 425.581 1.956 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1740749893 GXQDZJNFCROUHD-IAGOWNOFSA-N 432.525 1.384 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1740875993 MYGKQVQWXWBKHZ-GOSISDBHSA-N 425.599 1.693 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC1CC1 1740916672 URFNSWMIVUQKKF-LJQANCHMSA-N 433.516 1.820 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1740951102 PRWBZMBJPYQKCL-INIZCTEOSA-N 440.504 1.093 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740961149 NDPWOKUAWREBMF-MBSDFSHPSA-N 425.533 1.864 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740994619 QGDDQDUHFLABCC-LAUBAEHRSA-N 438.594 1.996 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1748698373 GNTVOKPTORCOAK-ZWOKBUDYSA-N 439.582 1.466 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCO[C@H]1C 1748949727 AALJSXIWZSTATO-UGSOOPFHSA-N 438.326 1.662 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nnn(C)n1 1748950155 FPHNXMPAHMUFOM-UHFFFAOYSA-N 426.550 1.933 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1748990593 JLECCCOYSNNJLH-WZONZLPQSA-N 427.524 1.974 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1749005286 URAGSYPGQLDFMN-WOJBJXKFSA-N 443.640 1.783 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC)C(=O)C1 1749043539 GCCOOULOUQTMDJ-UHFFFAOYSA-N 437.573 1.942 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749131783 VORWPPRYSGUJOS-KURKYZTESA-N 439.582 1.235 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749460931 JTCPYHCKBCWRSJ-LSDHHAIUSA-N 447.517 1.976 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1749599792 LRPQPZUJXCXDOL-QZTJIDSGSA-N 439.582 1.078 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)N2CCOCC2)C1 1749718560 FJODZSDRWDDESQ-HXUWFJFHSA-N 441.532 1.806 30 10 IDEE NC(=O)CC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750400740 OZRPBQJALCUHIW-CZIZESTLSA-N 427.509 1.164 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1751093247 LZGCBQNMRKAYOX-HOTGVXAUSA-N 429.525 1.591 30 10 IDEE C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1751148371 MNKPLBKDRVJTPW-HOTGVXAUSA-N 432.475 1.597 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)n1 1751623243 IJFGITOCHYZXNF-RBUKOAKNSA-N 425.537 1.614 30 10 IDEE Cc1ccccc1-c1nnc(N2CCS(=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1751674518 KIHRZWJZAUEFJY-CZIZESTLSA-N 440.529 1.349 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1760096717 RRDOVPSYKRZNHW-AWEZNQCLSA-N 438.923 1.905 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)c1occc1C 1760097509 GFFIHEROOOTIJT-HUUCEWRRSA-N 436.538 1.068 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccnc1OC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760180359 CRFSDDXARQRBAP-SFHVURJKSA-N 429.546 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1760194490 JPPSOGZSDIMLJM-HNNXBMFYSA-N 448.618 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1760202147 URSPTAZGRVAKFO-UHFFFAOYSA-N 443.555 1.997 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCCOC)cc2)CC1 1760258608 ZXSIZISIUGISDT-UHFFFAOYSA-N 449.559 1.897 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760428609 ZQADQBFSIIMKCJ-FUHWJXTLSA-N 434.566 1.848 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CCCO 1760461157 LMBQZSPOLLFWNZ-QGZVFWFLSA-N 447.609 1.707 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1760540581 LFEFLBIRIOSEKX-MJGOQNOKSA-N 426.521 1.616 30 10 IDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1765569721 GOYATKPAVBECRR-SFHVURJKSA-N 438.580 1.544 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1766687020 MAENIOZKRJREJU-MJGOQNOKSA-N 439.545 1.857 30 10 IDEE CCOCCN1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1CC 1768172494 PYOPOGPAJXJMJS-SKQREZPOSA-N 431.541 1.050 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)CC1 1769144159 LWWVXXCNSYMGKM-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1770159039 FGHDGDSRMUPWFM-LJQANCHMSA-N 426.521 1.832 30 10 IDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1770681570 KIDKUFUFJSBMLH-KRWDZBQOSA-N 446.483 1.008 30 10 IDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCN(C)C1=O 1848779747 MCYIRTYUOUFMAF-FZMZJTMJSA-N 434.345 1.906 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)CC1 1848858290 OIFYBBADZHEWPC-UHFFFAOYSA-N 444.451 1.254 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1849793185 SLSWJRUFLSVCNM-UHFFFAOYSA-N 428.518 1.340 30 10 IDEE CN1CCN(c2ccc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc2)C1=O 1852056251 RMSXHRBACXSOMI-UHFFFAOYSA-N 434.500 1.804 30 10 IDEE C=CCN1C[C@H](C(=O)Nc2cnc(I)cc2C(=O)OC)CC1=O 1853301088 JRNJTEXQCNATDV-SECBINFHSA-N 429.214 1.446 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)[C@@H](C)C2=O)CC1=O 1854609463 BNBUMIQNLIIWRP-KBPBESRZSA-N 439.921 1.123 30 10 IDEE CC(C)S(=O)(=O)N1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1855580180 YBPGIRGIEMMILS-SFHVURJKSA-N 432.546 1.293 30 10 IDEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CN2CCN(CCO)CC2)cc1=O 1870561015 VXLFBAMYEYNCIO-UHFFFAOYSA-N 434.540 1.694 30 10 IDEE Cc1ccc(O)c(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1874275542 XMKQVVFZMIDDCB-BMZJSHLCSA-N 430.534 1.866 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NC2CN(c3cnccn3)C2)[C@H]1c1ccc(C#N)cc1 1889549229 ZUOVDTUPPAPGIX-NHCUHLMSSA-N 436.541 1.747 30 10 IDEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCC#CCN3CCCCCC3)n2)c1 1890050730 GVYOSDGPPNICJP-UHFFFAOYSA-N 438.528 1.923 30 10 IDEE COC(=O)N1CCC[C@H](C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)C1 1891157854 QTSHHPQUXQIZKQ-NRFANRHFSA-N 448.608 1.502 30 10 IDEE CN(CC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncnc2c1cnn2C 1891618729 RGZULICIQNNWBZ-UHFFFAOYSA-N 425.518 1.772 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1895861867 NMWBCOOAZXVKGM-OAGGEKHMSA-N 425.526 1.637 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CC[C@@H]3NC(=O)OCc3ccccc3)[nH]n2)OC1(C)C 2243387528 VYVWFDLNGOVRHT-HOTGVXAUSA-N 440.309 1.896 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255544865 HGTYWPKBUUFSPX-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)COCc1ccccc1 2255753314 RAKMFVFMTCPTAZ-INIZCTEOSA-N 449.382 1.851 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255823214 SXXGQPLUVKRLIA-KRWDZBQOSA-N 429.326 1.369 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2255831712 ABUAWBXCHPSHQF-UKRRQHHQSA-N 434.346 1.845 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(=O)NCc3ccccc3)c(F)c2)OC1(C)C 2255932095 WPMFMBVMDDGQQM-UHFFFAOYSA-N 448.325 1.720 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2256062150 QRBHLEOPGLDZOT-UONOGXRCSA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2256678970 IHEXCKNJXPKNFH-JYJNAYRXSA-N 436.314 1.141 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870192 BEAZZECRUXNAQX-ILXRZTDVSA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268630483 LDTNPZYHDMCMHP-UHFFFAOYSA-N 448.369 1.874 30 10 IDEE Cn1cc(C(=O)N[C@@H](CCO)COCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2320443499 VVZGICGLAXIQQI-KRWDZBQOSA-N 429.326 1.417 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320554777 ITUCPEVYDXLETN-OCCSQVGLSA-N 438.309 1.738 30 10 IDEE O=C(CSc1nncn1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccco1 2321272760 ZLBPPGWTILMHRH-UHFFFAOYSA-N 444.429 1.841 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2C(=O)O)CC1=O 2327840310 YNSWBJNCTKQVBQ-ZDUSSCGKSA-N 444.517 1.550 30 10 IDEE COCCc1nnc(SCCO)n1N=Cc1cc(Br)cc(OC)c1O 2331311057 JZTVUARTODSRNZ-UHFFFAOYSA-N 431.312 1.910 30 10 IDEE N#CC12COC(CNS(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)(C1)C2 2364288545 PBTUGOJDCFEIAY-UHFFFAOYSA-N 431.514 1.835 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)c1 21324330 ZFUFQEMDNWFPRJ-WYMPLXKRSA-N 439.505 1.912 30 10 IDEE CC(C)CN(C(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 23257567 MEQOJOSMDZZGGA-OAQYLSRUSA-N 432.590 1.348 30 10 IDEE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 35973938 XTZREFCHABXCLP-OAHLLOKOSA-N 426.429 1.898 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)NCC#CCOc2cccc(Br)c2)CC1 90731284 AXLFKAIVLSDAPQ-UHFFFAOYSA-N 429.336 1.619 30 10 IDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)cc3OC)C2)c1=O 101764758 SHLYJDIJMYQJLC-HNNXBMFYSA-N 428.445 1.533 30 10 IDEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\n1c(S)nnc(CCC(=O)O)c1=O 169883704 GZDFCLAHECGJQT-NVMNQCDNSA-N 437.434 1.532 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H](CO)c2ccc(F)cc2)n1 440891119 QOZXDEJLISKOOZ-INIZCTEOSA-N 427.823 2.325 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@H]2CS(N)(=O)=O)nnc1-c1ccco1 482174840 HMWUVMUPFZVANG-ZDUSSCGKSA-N 425.536 1.486 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](COc4ccccc4)C3)CC2)o1 484551702 KBNKQUJLYWRQPG-IBGZPJMESA-N 425.489 1.283 30 10 IDEE Cc1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1C(=O)N1CCOCC1 489212273 XXAPXNXZKXXXCF-UHFFFAOYSA-N 429.521 1.547 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 500827990 NNCGBBUKHKZNSW-ICSRJNTNSA-N 435.546 1.615 30 10 IDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(C(=O)OCC)s2)CC1 508794661 LPCLXSKGVQUGDK-UHFFFAOYSA-N 433.538 1.562 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)n(Cc2ccc(F)cc2)c1C 510656161 DREMMWZCTDMSSM-SFHVURJKSA-N 447.536 1.855 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)CC1 549903077 AOVNPCQPIPSXGP-UHFFFAOYSA-N 434.610 1.233 30 10 IDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)s1 554972242 HPMOVSPWGKBLRC-UHFFFAOYSA-N 443.572 1.589 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CC(=O)N(CC)C[C@@H](C)C#N)[C@@H]2CCCC[C@H]21 584417042 JARACGDETMUGCS-FNAHDJPLSA-N 444.624 1.932 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O 588117661 MZWFYXKQKRDYCA-AWEZNQCLSA-N 428.308 1.379 30 10 IDEE COc1cccc(N2CCC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)c1 589424442 KPGBIKSIABFSNI-KRWDZBQOSA-N 428.514 1.630 30 10 IDEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609497135 YFTYEBLCPMXOTB-KRWDZBQOSA-N 442.497 1.511 30 10 IDEE CNC(=O)c1cccc(NC(=O)[C@H](C)ON=C(N)c2ccc(CN3CCOCC3)cc2)c1 733305347 BNVVFVUGARDYBN-INIZCTEOSA-N 439.516 1.543 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 739001598 DKYDGEHLQGAJDA-VHEBQXMUSA-N 431.880 1.220 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)C[C@H]3CCS(=O)(=O)C3)nc12 740867377 REVMZUWZPVRJHV-CQSZACIVSA-N 433.559 1.690 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 741452281 CWUXYNSDTSYMPF-AEFFLSMTSA-N 447.605 1.909 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 745814471 ZVBCBDWPPQOKJS-UWZWCOGJSA-N 445.442 1.345 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@](C)(O)C(=O)O 757330147 OOXCNIHWLINGMB-RDPSFJRHSA-N 436.464 1.869 30 10 IDEE C#CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 757866666 RIMKNBBDEVUEBW-MRXNPFEDSA-N 425.532 1.090 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 762413672 BNGFQWNQWDUKNV-HRAATJIYSA-N 448.545 1.949 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765145162 GEXSBEYTRCPNPI-UHFFFAOYSA-N 433.493 1.712 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3nn(CCS(=O)(=O)CC)cc3C)cc2C1=O 786242631 AEQLXCSYUCBKHC-UHFFFAOYSA-N 430.486 1.661 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(CC#N)CC2)cn1 797426618 KEPIDJQOZGJQHP-MRXNPFEDSA-N 444.561 1.783 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)COC(=O)N2 809909471 BCDOVNAKKJNYTR-HNNXBMFYSA-N 448.524 1.851 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 812183109 YEGGIYMKBZCTOH-HNNXBMFYSA-N 425.555 1.731 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 818516383 LQAQVKOWZRBILF-JOCHJYFZSA-N 436.447 1.208 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1n1cccn1 819390348 BUKAHKVCWBMGFX-FRQCXROJSA-N 431.518 1.237 30 10 IDEE COc1ccc(Br)cc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 916197486 UXOYMKPNVBUVBY-OAHLLOKOSA-N 446.326 1.887 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(-c2ccccc2C#N)c1=O 917795158 ITYLETSFJUVOAM-UHFFFAOYSA-N 431.521 1.849 30 10 IDEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 1084615359 UFYGZELTPDBXHP-UHFFFAOYSA-N 428.478 1.430 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cccc(N4CCOCC4)n3)C2=O)cc1 1116675575 KSLZFXBOSCRFDC-IBGZPJMESA-N 448.483 1.311 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)C1=O 1155857877 JATRTUMPHMCZCF-NVXWUHKLSA-N 432.525 1.709 30 10 IDEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)Cc3ccc(C#N)nc3)C2)nn1 1160841328 QSNKDTDBYRQCTM-SFHVURJKSA-N 425.493 1.976 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(O)Cc2ccccc2Cl)c1 1161802322 QZRSZTINJUQKIN-UHFFFAOYSA-N 427.910 1.950 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CSc4ccc(Br)cc43)C2)c(=O)nc1O 1227557371 NVLMJBXBMDBTCJ-CYBMUJFWSA-N 448.302 1.996 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1286298250 HNOGNKKNOQPCSO-CABCVRRESA-N 435.550 1.990 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCCO2 1286341234 CMWGQBVAUMUPMY-HNNXBMFYSA-N 433.534 1.709 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)CC1 1286474372 DQHSMLRJBLLJRA-FQEVSTJZSA-N 433.560 1.540 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1286486037 GBQLUYHGCCCVEE-MWTRTKDXSA-N 426.565 1.768 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCC2)CC1 1286488389 YEVCPYHHRJVERL-UHFFFAOYSA-N 438.488 1.734 30 10 IDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1286618334 ZGNVRNKBIRTPDN-OALUTQOASA-N 447.561 1.550 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286632976 BLYBUBKMMFYBEL-KKUMJFAQSA-N 433.962 1.225 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286709743 CUFBKWIZYNAUED-KRWDZBQOSA-N 426.525 1.247 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286781704 XWHNXVPQYMKPSN-HNNXBMFYSA-N 425.541 1.334 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1286832542 VJRWHAHLOZXMCZ-JKSUJKDBSA-N 445.611 1.003 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1291325294 HMJIKYRZVXKIGE-ZHRRBRCNSA-N 425.537 1.709 30 10 IDEE CN(C)C(=O)CCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297973870 NMZZZAKRBAVYPX-UHFFFAOYSA-N 446.515 1.667 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300393749 KGUFDPMUBUWOBN-UHFFFAOYSA-N 447.543 1.211 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300476641 PZSKPCJHOXMSAZ-MRXNPFEDSA-N 449.602 1.930 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300497626 BOKGVUAASYBDIF-HSALFYBXSA-N 443.573 1.442 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 1300504230 KTBTYXJBCPYXHW-IBGZPJMESA-N 444.557 1.619 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300504552 OMWMXTHKLIBGED-QGZVFWFLSA-N 430.530 1.317 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC2CC2)CC1 1300692460 FWVRIWAEVSLRQL-UHFFFAOYSA-N 438.557 1.397 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300993471 ACYXSGFHBXNNJZ-INIZCTEOSA-N 425.580 1.850 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1301216052 BMKVSFBSBAAPGN-ICSRJNTNSA-N 437.548 1.544 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)CC1 1301490073 KOCAXYHCDGXSGA-UHFFFAOYSA-N 447.337 1.645 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301507934 BMPGOPFXRSLASX-UHFFFAOYSA-N 445.593 1.631 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@@]1(OCC)CCOC1 1301517764 BYTNMCRXXZSNOE-LJQANCHMSA-N 437.932 1.256 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)C(C)(C)C)C1 1301543670 OLTKVMLDCHNUPS-JTSKRJEESA-N 435.569 1.874 30 10 IDEE CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1302530744 YIOFUDZBDICFKB-MRXNPFEDSA-N 445.586 1.304 30 10 IDEE COC(=O)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1303942042 MMBJFMLJPQPGOK-QGZVFWFLSA-N 435.546 1.991 30 10 IDEE CS(=O)(=O)c1ccc([C@H]2CN(C[C@@H](O)COc3ccc(CC#N)cc3)CCO2)cc1 1307955612 CTQLBUICCFRPQV-DENIHFKCSA-N 430.526 1.969 30 10 IDEE COC[C@H](Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1315809441 UYJVDIAFNRZPRD-IPJJNNNSSA-N 448.568 1.157 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCCC1 1342483706 UJSSOZCUEALVFJ-QGZVFWFLSA-N 432.546 1.922 30 10 IDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358950562 PULVYLFKSLAOLK-MOPGFXCFSA-N 428.562 1.538 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358956568 HSXKYWIQNYDLJJ-SJLPKXTDSA-N 442.463 1.663 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C(N)=O)CCCC2)CC1 1359042594 MMVSHKQEWRINAD-UHFFFAOYSA-N 438.532 1.858 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359221921 RYDPTOAKKAXVQC-UHFFFAOYSA-N 447.584 1.737 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1359304600 CLHTYDLYLXIRRY-UHFFFAOYSA-N 432.500 1.591 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1359336449 QDLCZBMKHHMNLG-UHFFFAOYSA-N 428.566 1.550 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C1CC1)N(C)C 1360215754 VWNJFLYSLLPYFG-GOSISDBHSA-N 438.536 1.291 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)c1 1452161212 KGHLNZHRYFBNLA-UHFFFAOYSA-N 436.530 1.466 30 10 IDEE COC(OC)C(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 1460377997 VNIMGWHRURZJRM-UHFFFAOYSA-N 443.504 1.320 30 10 IDEE N#Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nc2n1CCOC2 1463338234 XUNZEHGMSMFRTF-MRXNPFEDSA-N 429.502 1.465 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)c1nc(N)nc(N2CCOCC2)n1 1468866764 GKNAQJLAAAJDTM-UHFFFAOYSA-N 435.282 1.870 30 10 IDEE CNC(=O)NC1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1469004403 YNBKBLSSWHVPBE-UHFFFAOYSA-N 435.550 1.206 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3(OCCO)CCCCC3)C2=O)cc1 1472223516 KHFMGYLHVABYPH-SFHVURJKSA-N 428.489 1.591 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507589801 ZZPZJGBFWMOLJR-ZWKOTPCHSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1507633476 FAQHIBZIUDZTKW-FQEVSTJZSA-N 440.573 1.153 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1507638124 OSUYFHOOSRFDEF-RTBURBONSA-N 430.530 1.297 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(F)cc(F)c2)CC1 1507716986 XOKFYWGUAVJLHA-UHFFFAOYSA-N 428.487 1.790 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)CC2CC2)CC1 1507724276 BGQMICFSGGKDSG-UHFFFAOYSA-N 431.537 1.664 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)CC1 1507731182 CLFJSTNEGZZBNB-FQEVSTJZSA-N 428.581 1.720 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)NC(C)C)CC1 1507732029 HKVYHXFFSIBKRR-UHFFFAOYSA-N 428.512 1.666 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1507750685 BUDVZCUXEKFXSG-ROUUACIJSA-N 438.619 1.942 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1507957655 SLPWEKMSXSVQLG-GOSISDBHSA-N 436.520 1.695 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)NC 1508004942 MJGISGYLGJBKMT-UHFFFAOYSA-N 433.513 1.560 30 10 IDEE C=CCN(CC=C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508019874 FVFLDVZGWGZEIW-FQEVSTJZSA-N 436.509 1.724 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](C)C1 1508129989 FVCITYWPIABCGV-GJZGRUSLSA-N 433.600 1.116 30 10 IDEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508670658 OBMVGTNZEUJGID-SJLPKXTDSA-N 445.568 1.873 30 10 IDEE CC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514058516 CPYXRPULQKAHGD-NYAYQYMKSA-N 427.509 1.382 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1515123395 RAMBECRWXRZNBW-IBGZPJMESA-N 437.548 1.929 30 10 IDEE CCCOc1ncccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1515193957 FWZXCJNCOYFGAC-FHWLQOOXSA-N 442.520 1.963 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1516753847 AQVYBYQIRQNUAV-JOCHJYFZSA-N 426.521 1.127 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1519062254 PVUUXXKHNSYTRF-FXAWDEMLSA-N 438.598 1.279 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1nn(C)c(C)c1C#N 1537542040 MTOBHRXWDCICON-UHFFFAOYSA-N 446.533 1.187 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539210500 CEIBMQZMVLPRID-YQVWRLOYSA-N 448.545 1.525 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1539212039 MTQDOZPJZUIHMB-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1539215921 LNAXQBRNDGPPOT-SFHVURJKSA-N 446.602 1.016 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1539261125 YKRXLXKRXJZEQG-UXHICEINSA-N 433.512 1.826 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1539454562 SHAQXPIIKZAEGQ-UHFFFAOYSA-N 448.618 1.334 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539520181 PHBJTHLTGPQHDN-QFIPXVFZSA-N 426.590 1.931 30 10 IDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1539758909 CCTIMXZCSFBEJY-HXUWFJFHSA-N 438.532 1.569 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CC1 1539890917 VVWYBNGSXQZLCX-LJQANCHMSA-N 437.610 1.695 30 10 IDEE COCCCS(=O)(=O)NCC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 1539920940 JTLBETQBKSUVSB-UHFFFAOYSA-N 444.509 1.767 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1540074632 ZZQBIHNTJRWRGT-ZWKOTPCHSA-N 449.577 1.777 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1540140609 YPLMZMRXYVMFRP-GJZGRUSLSA-N 441.579 1.558 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)CC2)cc1 1540648014 QXEIIAAOSKDCGS-OAQYLSRUSA-N 430.530 1.088 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCOCC2)C1 1540881920 WVWIXOVTCSEHRT-RTBURBONSA-N 432.569 1.264 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1540916654 DKQLJTKWRIYEDG-HUUCEWRRSA-N 427.596 1.191 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1541112920 MWVBFMPEKLQTPR-HNNXBMFYSA-N 429.525 1.712 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CCN2C1=O 1547604528 GKZJTJSLJWKURJ-CRAIPNDOSA-N 436.520 1.240 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1554165383 SHMWLGFACUIPKL-RCCFBDPRSA-N 448.524 1.650 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1554510804 INGAPZNBRNFEKK-AEFFLSMTSA-N 430.534 1.657 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@H]3CC[C@H]2C3)n1CCN/C(O)=C1/N=CC=CC1=O 1555624646 NRMPMTGBMFKQBJ-WKJNRGSKSA-N 430.509 1.517 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCO[C@H](C)C1 1555637116 PDJXOIJXRXKCNY-OPYAIIAOSA-N 438.548 1.945 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCC(=O)NC2CC2)cc1 1555988574 HUSWWRZFWFLUPW-KRWDZBQOSA-N 435.532 1.967 30 10 IDEE CC(C)(C)OC(=O)N1CCC(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1558642892 GQBJXPVTPYWYLK-OXJNMPFZSA-N 425.551 1.810 30 10 IDEE Cn1cc(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2=O)cn1 1566178394 WJOYYUPHXZGKNZ-UHFFFAOYSA-N 443.305 1.366 30 10 IDEE CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1566318157 UOXGOMVSNIQAMV-LJQANCHMSA-N 428.489 1.942 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3nn4c(c3Br)CCC4)C2=O)cc1 1568508151 KGODIVFZVXOYNA-AWEZNQCLSA-N 428.290 1.994 30 10 IDEE CC#CC[C@H](CO)NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1583662134 VIPDYWUVFUPIJG-MRXNPFEDSA-N 430.530 1.047 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1587621261 QIHQMSOEGNFYHE-AWEZNQCLSA-N 428.518 1.085 30 10 IDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1594546209 XLEAMJMFXPIPNX-QZTJIDSGSA-N 429.546 1.824 30 10 IDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NC)CC1 1594732784 IFNGPLWMOWFNMH-UHFFFAOYSA-N 439.568 1.880 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(=C)C 1594963286 RCPMLUDVRNGSBS-ULQDDVLXSA-N 425.555 1.214 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OCC 1598350969 YTUKDUIYUVLVSP-KRWDZBQOSA-N 433.530 1.862 30 10 IDEE N#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(F)(F)F 1598395599 YPZVEOJVSYRXIF-INIZCTEOSA-N 447.435 1.819 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1611308695 SBTVXSFTBYIJJG-JTSKRJEESA-N 440.552 1.996 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CC2(CCOCC2)C1 1611677102 IXEIXBVCTYMYIA-HNNXBMFYSA-N 436.582 1.835 30 10 IDEE CCN1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615888771 MUKBZBFNDMMGLL-FQEVSTJZSA-N 438.580 1.795 30 10 IDEE CO[C@@H]1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)N(C(=O)OCc2ccccc2)C1 1616348348 XTXXGTRPNUMXOK-WFJJUKAGSA-N 442.472 1.055 30 10 IDEE CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCC(F)F)CCN2C1=O 1618463924 RKMDCAHLHDIXJY-MRXNPFEDSA-N 431.447 1.654 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1620083505 AFUNSOABTPYAPS-OMWDOIHDSA-N 430.509 1.517 30 10 IDEE C#CCOCCC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1626227713 BHJYOJJRCOABEN-UHFFFAOYSA-N 425.507 1.468 30 10 IDEE Cc1[nH]nc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1I 1626700223 VWNUKTBFRVVION-ZDUSSCGKSA-N 449.252 1.725 30 10 IDEE NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1626983326 PARVIKDOYPZIDY-VORVDVFJSA-N 437.496 1.654 30 10 IDEE C=CCC[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OCC 1627753171 XHCQBODTAWOFCT-QGZVFWFLSA-N 433.530 1.862 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 1629111874 BSNPVZBITLFLEQ-CQSZACIVSA-N 425.507 1.266 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 1631330544 FKAQGOBMRGKORG-PZJWPPBQSA-N 434.475 1.855 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CNC(=O)c4ncccc4O)CC3)n[nH]2)cc1 1632252777 CVYGCIKQLBZIAU-UHFFFAOYSA-N 431.456 1.128 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)s1 1632434497 NPKZVNNBAUQGCF-CVEARBPZSA-N 426.560 1.742 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(I)cc1O 1632757378 BSCOQIVMMQXOBQ-CCEZHUSRSA-N 427.198 1.852 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634188055 MMFXBZDRFSAOCM-FUHWJXTLSA-N 433.534 1.024 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnc4ncc(Br)cc4c3)C2)c(=O)nc1O 1637512670 AZKZTASZBMOBAG-UHFFFAOYSA-N 427.218 1.223 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(CN2CCNC2=O)cc1 1637714109 JJBLWPSISXZQMK-INIZCTEOSA-N 434.504 1.294 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)cc1 1642410135 UHYUFZIOLYMEEO-INIZCTEOSA-N 439.534 1.517 30 10 IDEE CC(C)(C)OC(=O)C1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CCOCC1 1649420279 HYUHZXQOUVNREG-UHFFFAOYSA-N 429.521 1.923 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)C1=O 1652171378 WPVAKJWLDDNGIE-LJQANCHMSA-N 447.373 1.627 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1670316938 VMISVNADPKJLPS-LLVKDONJSA-N 432.340 1.851 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)CC1 1671634777 JFUPWBMDPCLWFN-VOTSOKGWSA-N 425.503 1.982 30 10 IDEE C#CCN(C(=O)Nc1ccc(C#N)cc1I)[C@H]1CCS(=O)(=O)C1 1674845407 CMRDPHTUEYCXKY-LBPRGKRZSA-N 443.266 1.817 30 10 IDEE C[C@H]1C[C@@H](CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CN1Cc1ccccc1 1680697970 VOGBLQCNNARTOX-FUHWJXTLSA-N 436.516 1.688 30 10 IDEE CC1CCN(Cc2ccccc2CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1682327446 KOKMOWYOVSEJFZ-RBBKRZOGSA-N 430.574 1.998 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1682384429 FFBDPJABKFRLPV-LJQANCHMSA-N 433.578 1.493 30 10 IDEE CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1687145840 DLHJJPSKKAHVHJ-HNNXBMFYSA-N 434.294 1.904 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1689966018 ISALBZNSAFVCOZ-GOSISDBHSA-N 449.621 1.673 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1NC(=O)CC1(C)C 1690101321 WVVMYLOCMICYPE-MRXNPFEDSA-N 428.493 1.007 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(N)=O)CC1 1690182776 GODZPPNOOMMYLR-UHFFFAOYSA-N 446.602 1.728 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690299322 NLIMBTRVCYWPGI-ULQDDVLXSA-N 427.571 1.344 30 10 IDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690303120 SAWKRPBNDVVXBW-FQEVSTJZSA-N 429.521 1.888 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690489985 KQMUUPQZJWFFBC-UHFFFAOYSA-N 426.569 1.507 30 10 IDEE C[C@@H]1COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1693864036 BTOIFMPLZBQZOT-CVEARBPZSA-N 432.475 1.597 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCOCC1 1696327884 AXABJTKUFPUIJH-UHFFFAOYSA-N 439.564 1.735 30 10 IDEE CCOCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@@H](F)COC 1696330712 RROAOVDDFJRLNS-OAHLLOKOSA-N 433.488 1.863 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1696484165 IOSMAMMLBLJRSC-HXUWFJFHSA-N 439.582 1.883 30 10 IDEE COc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCN(C)C2)cc(OC)c1OC 1697243836 DYZQLOOHRJMHIC-QRQCRPRQSA-N 444.536 1.776 30 10 IDEE COc1ccc(OC)c(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1697473048 AUUIRHCBEJRYRO-QZTJIDSGSA-N 440.504 1.608 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CCO1 1697888148 ANDJOQAOQQEMFW-YLJYHZDGSA-N 426.521 1.389 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1698169228 GHJGAAASYONYKK-DLBZAZTESA-N 434.541 1.379 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1698172557 WXBODUJOGOUIJQ-ROUUACIJSA-N 434.541 1.524 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1698243002 BAXUZCNJYWHNCN-TZWCJPSOSA-N 430.509 1.375 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1705495461 QCRKHEMIDGVWDE-XHSDSOJGSA-N 427.596 1.355 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCS(=O)(=O)NC)c1 1705503848 GPULZSBFPQOJOS-UHFFFAOYSA-N 432.550 1.181 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705562040 XKJBDZMLPKWIJB-LJQANCHMSA-N 429.546 1.098 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705567691 ZNMCZQJSNXKXDZ-ZACQAIPSSA-N 430.534 1.177 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1705571397 YXQJEOMPWORFCZ-MOPGFXCFSA-N 434.537 1.789 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(CC)CC1 1705603692 TWGKJYIRMUEDBJ-FSSWDIPSSA-N 442.608 1.491 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)n(C)c1=O 1705630904 LHLDDHPQNADZNU-OALUTQOASA-N 429.521 1.144 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1705843275 BEWVJMXMSWSSQV-DLBZAZTESA-N 428.603 1.210 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1705933540 KQXFTZOQOVFQHZ-CVEARBPZSA-N 442.549 1.756 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939532 ZCLSUHZFVCIUBS-LJQANCHMSA-N 428.555 1.145 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCc1ccco1 1706315969 KCKLPZIKWTWOST-UHFFFAOYSA-N 434.504 1.904 30 10 IDEE CCCN1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1709796982 WMUPFPMEQXHOBI-QZQOTICOSA-N 441.536 1.206 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)CC1 1711410917 ZRRUJDLQHRVCOQ-UHFFFAOYSA-N 427.509 1.331 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722363788 CFAFHDTYQOCMBY-FQEVSTJZSA-N 447.580 1.975 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1722436883 GRZIGHDREWBFEW-KRWDZBQOSA-N 432.569 1.841 30 10 IDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722487280 NUBUHUDIQJVCDR-CYBMUJFWSA-N 441.355 1.494 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1722507704 IVIVJHHEOHKONY-NSHGMRRFSA-N 433.553 1.796 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722698821 MZCRTOKQNWTYFW-LBPRGKRZSA-N 425.415 1.320 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nncn2C)C1 1722716773 XYSUJRQXSBXJIX-INIZCTEOSA-N 425.493 1.920 30 10 IDEE CCc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1727501008 UOISVSLTCIFJOF-FMQUCBEESA-N 445.568 1.162 30 10 IDEE CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)C(C)C 1728511957 FUYABDOVXAFUGP-SJORKVTESA-N 441.602 1.080 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)CC1 1728676954 PTLQLHNSGHBGRR-UHFFFAOYSA-N 427.509 1.331 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC(F)F)CCO1 1731188143 BRLFYKYEEZCOCR-LBPRGKRZSA-N 431.403 1.604 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@@H]1CC 1740570986 LYEJLOZEQIWYDJ-KRWDZBQOSA-N 443.577 1.757 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740628423 XKOIKVUEMYXJAE-JKSUJKDBSA-N 435.575 1.498 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1740631027 NXPYMAUCDQSDMM-MRXNPFEDSA-N 438.513 1.664 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2NC(=O)CC2(C)C)n1 1740688427 VHMNIWNDCAIWLN-SFHVURJKSA-N 427.553 1.799 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)CC1 1740710335 XLFNKVXAJRFGMF-UHFFFAOYSA-N 429.550 1.060 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740757664 QTDASXZATFGICP-BQFCYCMXSA-N 427.509 1.993 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740784277 QHZMCNMEVAOSLE-SFHVURJKSA-N 429.594 1.953 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1740932708 UMPWKJAUKZSXMP-HZPDHXFCSA-N 427.596 1.543 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740948095 UOEHDZMPTIRFQK-UHFFFAOYSA-N 429.594 1.954 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740958816 VMQHHOZAFQOLJO-SFHVURJKSA-N 434.585 1.269 30 10 IDEE CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741118510 YLLQSKWREHNNDL-UHFFFAOYSA-N 432.488 1.325 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1741886649 SGJRJIMPCCUXOC-RHSMWYFYSA-N 444.561 1.601 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741985537 RTVGELDRLHUEFO-GNDBUYPCSA-N 432.488 1.997 30 10 IDEE CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1747415173 OPJOAIKONBIIHI-SQNIBIBYSA-N 442.545 1.407 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748715677 RJJPIRDKQSNYCT-HXUWFJFHSA-N 428.581 1.720 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1748988747 AECUQJYKZIOBRC-LJQANCHMSA-N 443.573 1.401 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(C)CN(C)C2=O)CC1 1749010573 NIKHTUYLAGHWRU-DEOSSOPVSA-N 434.544 1.698 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1749484489 BLCBLHYBDJNJFY-UHFFFAOYSA-N 442.545 1.898 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1749575017 JZNORLSWTOKZIK-IBGZPJMESA-N 446.577 1.736 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1nncn1C 1749655742 QRBWPZHKBDBPAH-MRXNPFEDSA-N 437.464 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(O)(C(F)(F)F)CC1 1749740089 PFSJISJJQSWPMN-UHFFFAOYSA-N 426.461 1.309 30 10 IDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)C)CC1 1749889128 GXKZZWRENLIOIC-UHFFFAOYSA-N 439.564 1.985 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1Cc1ccc(C#N)o1 1749932700 UJMLUCDDIFIRQB-NVXWUHKLSA-N 430.509 1.820 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCc1ccco1 1750647261 JNADQLCHTADBPY-INIZCTEOSA-N 449.519 1.688 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1760112014 ZAIUKIXJQPXKKC-MRXNPFEDSA-N 445.531 1.894 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1760182414 FOVMZRXHOBBMBF-IBGZPJMESA-N 439.545 1.426 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1760188695 LRXLZDRHHAXJSA-MRXNPFEDSA-N 428.543 1.780 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1760412915 UKSKZRMWXWVLPC-OAHLLOKOSA-N 439.582 1.253 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Br 1760521000 GYSRHFVAOYUYKB-HNNXBMFYSA-N 447.337 1.930 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760525475 HIEIAUJBLZXMFW-GOSISDBHSA-N 425.537 1.309 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1760551389 CYSHVNVGBXGPTM-OAHLLOKOSA-N 430.534 1.236 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1760689147 SMZSTXRFQCGYJR-QLFBSQMISA-N 426.543 1.027 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1761292040 SQZLUSIGPMSNOY-HRAATJIYSA-N 444.492 1.070 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCOCC(F)F 1763043610 GSUIQZUEZYHIEK-CQSZACIVSA-N 432.479 1.889 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCOC 1763758408 ABISFKUYTSJYRG-IAGOWNOFSA-N 428.541 1.831 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1765872795 RFUMYNHNCPVTEG-QIEZACGCSA-N 444.536 1.693 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766561468 SKQOJMVVAFVOIX-ICSRJNTNSA-N 443.596 1.997 30 10 IDEE CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1766872365 VBCXMIWAUMTRSD-HXUWFJFHSA-N 449.559 1.933 30 10 IDEE CCOCc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767828830 LYDQOJZBAFVWIY-SFJAUFLASA-N 430.509 1.204 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CCOC1 1768212800 CWYZWYSNGMVQNG-MRUHUIDDSA-N 447.561 1.880 30 10 IDEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1768481083 BESLXDDKAZEUMD-RBUKOAKNSA-N 429.569 1.640 30 10 IDEE Cn1c(=O)cc(N2CCC[C@H](NC(=O)c3ccccc3)C2)n(Cc2ccccc2C#N)c1=O 1772502237 YJMNTJGSDFBRQM-NRFANRHFSA-N 443.507 1.866 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1772564312 FYMJQOQHIWZYDI-MRXNPFEDSA-N 435.525 1.300 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1772566971 ARVUBPOXUIAVDJ-QGZVFWFLSA-N 425.537 1.498 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C2CN(c3nccnc3C#N)C2)c1 1849818838 MRXOHECXWVCRPQ-IBGZPJMESA-N 440.529 1.157 30 10 IDEE C[C@H]1CC(=NC(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)NN1c1ccc(Cl)cn1 1851774711 WMZHQOVUVSUYQD-QWHCGFSZSA-N 425.942 1.968 30 10 IDEE N#C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2Cl)CCO1 1852748600 IVPIRRXKQKKERL-FUHWJXTLSA-N 433.917 1.981 30 10 IDEE C=CCC1(S(=O)(=O)N2CCC(N[C@@H]3CCN(c4nc(C)c(C)c(O)n4)C3)CC2)CC1 1853599457 PXGIYPKOPOUOPM-GOSISDBHSA-N 435.594 1.870 30 10 IDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCO[C@@H](c4ccccc4)C3)ccc21 1853886478 AHXMNJKDFHWBAI-LJQANCHMSA-N 425.466 1.778 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)c2ccc(N3CCOCC3)cc2)CO1 1855970363 PDXYWAGBESVMOJ-LJQANCHMSA-N 443.481 1.556 30 10 IDEE CCS(=O)(=O)C1CN(C[C@@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1856138507 XAQCIEITQQSPRS-HNNXBMFYSA-N 437.949 1.904 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1858965116 NFCOYMQDYBZBDJ-UHFFFAOYSA-N 431.426 1.881 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCN1CCCC1=O)n2CCOC 1873589025 ZPMVRWVXCRKKFI-UHFFFAOYSA-N 440.548 1.998 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#CCN)ccn1 2164488846 YTNKCJGUZXYTSG-HXUWFJFHSA-N 430.461 1.158 30 10 IDEE CN(C)C[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCO1 2172778111 LEFAMPJJKTWWLY-CQSZACIVSA-N 426.164 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1O 2224103388 URRYTVXJQSXURT-DJIMGWMZSA-N 433.358 1.879 30 10 IDEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2243434815 FSKYXRKAFGJMJQ-UHFFFAOYSA-N 444.384 1.945 30 10 IDEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243675454 WRUTVVAKBAYRHM-NSHDSACASA-N 427.332 1.903 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN1C(=O)OC(C)(C)C 2255647458 ZCRPFWPQSGUYBW-UKRRQHHQSA-N 432.330 1.904 30 10 IDEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CNC(=O)OC(C)(C)C 2255829090 ZZKVKYHWJUCGNJ-KBPBESRZSA-N 434.346 1.942 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C12CC2 2255830470 GUTFFZIXQQDLEZ-CQSZACIVSA-N 432.330 1.981 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267165174 BEPYBSTVYZIVSM-YPMHNXCESA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267267234 VLFBPWFDWFHGPH-CVEARBPZSA-N 447.341 1.481 30 10 IDEE C[C@@H]1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)C(F)(F)F 2267586477 KVWSHOOYQQNSES-DOMZBBRYSA-N 441.259 1.910 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CC2 2267604380 FUKBQYFYTLLDEV-UHFFFAOYSA-N 447.345 1.340 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2271464615 LGHWSEMJMIOQIN-OAHLLOKOSA-N 445.329 1.539 30 10 IDEE Cc1cc(CNS(=O)(=O)C2CC3(C2)OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2277958507 GVYCZPKITUIVQA-UHFFFAOYSA-N 429.369 1.681 30 10 IDEE C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)c1ccc(C#N)cc1 2286033416 SPZWWFBBGAIGST-RDTXWAMCSA-N 431.470 1.918 30 10 IDEE C#CCOc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286037747 CSUCVPZXGPOSGY-GOSISDBHSA-N 432.454 1.820 30 10 IDEE COCCn1cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)c2cc(OC)ccc21 2321663761 LRQIXJLZEDNBIU-UHFFFAOYSA-N 431.474 1.436 30 10 IDEE Cc1cc(C)c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)[nH]1 16513238 JEKVHSSGKSSLDE-UHFFFAOYSA-N 428.514 1.581 30 10 IDEE O=C1CCCC(=O)N1CCS(=O)(=O)NCC#CCOc1cccc(C(F)(F)F)c1 90730592 BCXMGAHWXVIPQM-UHFFFAOYSA-N 432.420 1.546 30 10 IDEE Cc1ccc(OCC#CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 90742569 TUKMYFVOPMCQDH-UHFFFAOYSA-N 429.498 1.223 30 10 IDEE C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)c1ccccc1)c1ccc(O)cc1 107101771 MMVXIKIRVKWRMI-VEMXNMSTSA-N 434.456 1.699 30 10 IDEE N#Cc1cc(S(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)ccc1F 433443067 KQQOCBMYYCAWDO-QGZVFWFLSA-N 449.479 1.832 30 10 IDEE CC(C)CN(C(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 440615379 HPWUPFJINYZVCN-NHCUHLMSSA-N 432.590 1.541 30 10 IDEE CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CN1CCCC1 479061962 XFQCXJKHTCRTHF-UHFFFAOYSA-N 433.578 1.696 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 489200923 XPYAIZISYYRGJG-OAHLLOKOSA-N 438.534 1.687 30 10 IDEE CC1(C#N)CCN(C(=O)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 505014431 RJEZEWMLJVYUOL-UHFFFAOYSA-N 444.557 1.903 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1C[C@H]1CCCO1 514329461 GBASQCWBBCCVKI-LJQANCHMSA-N 437.565 1.819 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 522307777 GRJCCJMMPUNOHI-UHFFFAOYSA-N 428.455 1.895 30 10 IDEE Cc1c(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cccc1N1C(=O)N[C@H](C)C1=O 561748552 NWJGDVBQHVRXTP-CQSZACIVSA-N 440.481 1.865 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1 603595546 RBIUKMBPXSYVIJ-UHFFFAOYSA-N 434.544 1.890 30 10 IDEE COc1cc(C(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OC(F)F 619107034 MBAYNPUKTDUVKQ-UHFFFAOYSA-N 445.426 1.642 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730141119 NAFQNEGFUKGEJP-IAGOWNOFSA-N 447.605 1.827 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717208 HIBMWSAMRKOQSU-HNNXBMFYSA-N 430.465 1.712 30 10 IDEE C[N+](C)=c1ccn(/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)NC[C@@H]2CCCO2)cc1 732178122 XLLPLIUJFCHCDO-SFHVURJKSA-O 442.565 1.802 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732650286 MOVUPHDYXBMIJV-JTDSTZFVSA-N 432.546 1.297 30 10 IDEE C[C@@H](CS(C)(=O)=O)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 733202317 QAFLITOJVIHKIC-LRDDRELGSA-N 434.543 1.592 30 10 IDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(C#N)nc2)CC1 734599494 KFJAETPSIAQYAA-UHFFFAOYSA-N 435.484 1.455 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cccc(C)c3)c2=O)cn1 743725671 XASRDBALRDCMEK-UHFFFAOYSA-N 448.548 1.923 30 10 IDEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1C#N 746877147 IPUZNQHJTFMGTH-SFHVURJKSA-N 429.498 1.954 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@H]1CCCO1 751138709 OIQPDIGEPNNAIA-GOSISDBHSA-N 435.549 1.771 30 10 IDEE CCOc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771553800 PRGZILVFJIQZRX-MRXNPFEDSA-N 443.533 1.452 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774171338 PCWYJCXXOFLEQS-NHCUHLMSSA-N 432.590 1.197 30 10 IDEE C=CCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1cnn(CC)c1 779754343 GRBBVAWLOVPIKQ-HNNXBMFYSA-N 429.506 1.856 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1 780208678 DGQSWRGLARASNV-ICSRJNTNSA-N 434.514 1.483 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1C#N 786083075 OFPRANDDVSDYGF-UHFFFAOYSA-N 449.511 1.402 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)n1 788853343 JSNXCUPGQRNWHV-UHFFFAOYSA-N 433.534 1.125 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@H]2CCSC2)C1=O 790285990 VSOMPECBYDGPJO-RHJRNASOSA-N 449.646 1.745 30 10 IDEE N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccn1 795971498 KDLYGDQIGBLDJM-UHFFFAOYSA-N 448.888 1.297 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)CC1 797703419 QSSUMHPKEWCRAD-UHFFFAOYSA-N 437.537 1.602 30 10 IDEE Cc1ccc(N(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)[C@@H]2C=CS(=O)(=O)C2)cc1C 798744844 CPKMGTQYEJGEMX-DOTOQJQBSA-N 443.485 1.215 30 10 IDEE C[C@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 799866085 TYROBLFQJOSAFT-OCCSQVGLSA-N 443.570 1.222 30 10 IDEE C#C[C@H](NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C(C)(C)C 807878994 KDPPCSAVEDSDKX-AWEZNQCLSA-N 429.336 1.967 30 10 IDEE C#C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1ccc(F)cc1 812950192 AHVMBOZYOXIBMP-KRWDZBQOSA-N 437.431 1.815 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cscc3C#N)CC2)cc1C 814614550 HALOAENWENRTDQ-UHFFFAOYSA-N 447.538 1.927 30 10 IDEE CC(C)(C)CC(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 914507680 QHIYFTFRIMBVMT-UHFFFAOYSA-N 434.562 1.612 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1OC 1083931594 FWQJGEFGWCHBRY-UHFFFAOYSA-N 448.534 1.951 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1150156639 AZTOESQPHQCPBZ-LBPRGKRZSA-N 449.257 1.984 30 10 IDEE CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1152824456 NIVYLPIIKPLKCY-INIZCTEOSA-N 428.482 1.990 30 10 IDEE CCOC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1264645164 LNXFASBMCZGNMJ-MPUISCFQSA-N 440.547 1.969 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286388228 MEXOXMMWSSKURN-MRXNPFEDSA-N 446.529 1.114 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC(OCC)C1 1286442638 HXEZSYFHNLKEOL-UHFFFAOYSA-N 446.577 1.628 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 1286479669 NXEDJGGPCRKBCD-BJLQDIEVSA-N 428.581 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)[C@H](C)CC)CC1 1286495278 ZFTRDUUVKQWGFE-HXOBKFHXSA-N 444.580 1.163 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CCC)C2)CC1 1286495485 XEFHONGBINFRGD-UYAOXDASSA-N 428.581 1.827 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCNS(C)(=O)=O 1286618759 HGUZBEUPLXBRAB-UHFFFAOYSA-N 440.957 1.885 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286709789 DZJOEDPXJNOEJA-MJGOQNOKSA-N 432.569 1.511 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1286774469 PTMRDWDUUAOTHC-QGZVFWFLSA-N 430.534 1.316 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1286781550 TYODAEWNUYTPJV-QHCPKHFHSA-N 438.532 1.397 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1286789214 QNCGQOMNDVLFID-UHFFFAOYSA-N 445.955 1.676 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N(C)C)C1 1286813696 ZYJVBAVETMYYEX-HNNXBMFYSA-N 432.550 1.529 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1286955030 SENVFIFRPGAQFE-UHFFFAOYSA-N 447.499 1.918 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1 1286964633 CRLUTSIHBTZGPM-HNNXBMFYSA-N 428.522 1.253 30 10 IDEE C=CCN(Cc1ccccc1F)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1291959189 LAZZCVGARZKQBK-UHFFFAOYSA-N 440.518 1.722 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1300365447 XEOVQHVHDXPBAG-KRWDZBQOSA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1300500777 DBMLDQRLFYQQRP-MRXNPFEDSA-N 447.586 1.445 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCSC2)CC1 1300707572 GIEDKJOYTGPUBD-JOCHJYFZSA-N 427.574 1.789 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2nncn2CC)CC1 1300709787 GIOWILOWBNDPDW-UHFFFAOYSA-N 434.548 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2cccnc2)CC1 1300726516 NNUXUZABZOEFGR-UHFFFAOYSA-N 429.528 1.867 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccn2)CC1 1300728833 GROODPSYGFUJTF-UHFFFAOYSA-N 435.532 1.004 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300768440 RHBORWRGIHCNPK-HKUYNNGSSA-N 425.558 1.981 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300898145 WMUOHOTUHSYOHT-BJLQDIEVSA-N 433.553 1.623 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1301021777 IUNXCZZQGDFKCJ-RBUKOAKNSA-N 441.536 1.427 30 10 IDEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301260085 VXUHPIOLOZHRLI-NPPFBWRTSA-N 433.553 1.626 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)CN2CCOCC2)CCO1 1301372632 GIUOFNVOLLDVCQ-WIYYLYMNSA-N 440.548 1.637 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1301425254 FLFSFVPJFBITAQ-GCJKJVERSA-N 433.553 1.768 30 10 IDEE C=CCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301474311 YSVIAELMMKZBAZ-QHCPKHFHSA-N 446.596 1.639 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301491856 PCCXXIMVPAXQLY-UHFFFAOYSA-N 432.550 1.108 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)C(C)(C)C)C1 1301543672 OLTKVMLDCHNUPS-VGOFRKELSA-N 435.569 1.874 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1301773246 ZDJIFSWLDQBPEV-QZQOTICOSA-N 435.488 1.638 30 10 IDEE CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)cn1 1301790523 WJDKTISEHLUCSJ-QGZVFWFLSA-N 438.517 1.764 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OCC 1309807516 RMRNHEVEATUVJC-GFCCVEGCSA-N 437.287 1.863 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1358940651 GNUXCJKXOSLERA-CQSZACIVSA-N 449.353 1.610 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358964200 VHIFRTPTBMKCIG-HNNXBMFYSA-N 442.607 1.071 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCCN(C)C)CC1 1359039265 BHLGXNHAIVAXLQ-WOJBJXKFSA-N 432.613 1.530 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1359055743 OCTSWLUTJROFSC-IBGZPJMESA-N 440.573 1.931 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1359070275 JNYPWJNRUNYXBY-AHRSYUTCSA-N 439.582 1.010 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1359233205 VXKGKLTUFGCMFA-INIZCTEOSA-N 444.355 1.218 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1ncc(Cl)n1C 1359302405 GPXQXNLZVQRHSR-UHFFFAOYSA-N 434.957 1.959 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1360173203 QDPVVVUPTDUFFV-ZZEZOPTASA-N 437.504 1.579 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2C)s1 1447513306 ORYZBZXUKMFADT-LJQANCHMSA-N 433.555 1.763 30 10 IDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1453287734 WPMVBFPYOCSSLH-NQYYFHDYSA-N 428.489 1.446 30 10 IDEE COC(=O)C1([C@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)CCC1 1456399594 WEQPTBMHMGYANQ-HXOBKFHXSA-N 425.485 1.608 30 10 IDEE CN1CCC(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)(c2ccccc2)CC1 1461905341 UYCONOUQSHBIOL-UHFFFAOYSA-N 426.542 1.505 30 10 IDEE C=CCN(C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@H](C)COC 1467766190 LIUKXJHYKNPQMQ-QGZVFWFLSA-N 425.551 1.581 30 10 IDEE C#Cc1cccc(CNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)c1 1468647271 NIZFOSGUHNSQNW-UHFFFAOYSA-N 428.294 1.392 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 1473104127 GPHNSXOUWUSJRB-UHFFFAOYSA-N 441.469 1.744 30 10 IDEE CCN1CCN(c2ccc(Cn3c(-c4cnn(C)c4)nnc3N(C)C[C@H](C)C#N)cn2)CC1 1502316795 RFNSGNHKGZSBGT-GOSISDBHSA-N 448.579 1.860 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@H]1CCOC1 1503102066 AQFKGQMPLYWWSP-KRWDZBQOSA-N 428.541 1.481 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1507580805 HCPNVZAKJMVYFQ-NRFANRHFSA-N 440.596 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCO2)CC1 1507740933 HUJBPIQAGPJHOH-UFYCRDLUSA-N 445.564 1.537 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1507821194 WEKFVNFCDCSFCC-OALUTQOASA-N 439.626 1.939 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507843918 YIWHQPAXUKAPHQ-KRWDZBQOSA-N 434.541 1.879 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1507954057 KJSDPOLOCDKYIX-HOTGVXAUSA-N 427.571 1.581 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(Cl)c1 1508072143 FDLONZZLFZSXBR-CYBMUJFWSA-N 440.957 1.480 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098363 OOAKNSADLZQBEA-SPEDKVCISA-N 449.552 1.005 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1512646500 HRCPSDGPUIHWPX-OCQZMCQHSA-N 446.577 1.793 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1519181277 NUTXYDKNASZKMM-JOCHJYFZSA-N 426.521 1.676 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@@H]1C 1519221634 AVZBXXPNCNWPBU-MOPGFXCFSA-N 441.580 1.836 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCCO2)CC1 1519605498 BIECRCYFRZOWOX-LJQANCHMSA-N 444.561 1.761 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2(O)CC2)cc1 1521101213 AFAMUJVBRJWPNO-UHFFFAOYSA-N 436.438 1.938 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(C)(=O)=O)CC1 1539108824 FIMABZZOFAYEQZ-UHFFFAOYSA-N 431.518 1.605 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539225633 PWFVSIHGJSMQMJ-YSIASYRMSA-N 443.573 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nccs2)CC1 1539431235 ROBFYEZLPRSFAG-OAQYLSRUSA-N 430.578 1.773 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540041570 AHCSFROOZMTVKW-FIKGOQFSSA-N 435.525 1.626 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1541111248 HTRXWICTIXWHMZ-IVZQSRNASA-N 437.504 1.593 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOCc2ccccc2)CCOC1 1547919424 NWZYADSGNDPQER-KNQAVFIVSA-N 427.505 1.876 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1548316009 HDNTWSWDCIDWLQ-OALUTQOASA-N 445.545 1.636 30 10 IDEE CCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NCCOC 1548371107 SXXXAGQOQZKIFF-KRWDZBQOSA-N 442.438 1.393 30 10 IDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1555459393 NPCSWXWJHWDBGD-HXUWFJFHSA-N 426.521 1.975 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1555483533 NINCZXDZBINBQB-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)CN1CCOCC1 1556992590 DGYDZHOMGZDKIB-GOSISDBHSA-N 427.505 1.332 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1O[C@H]1CC(=O)N1 1557102925 LGTQOZJOSOKTCF-IBGZPJMESA-N 428.470 1.369 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F)c1cc[nH]n1 1558507136 DHAAANFLEZWABR-AWEZNQCLSA-N 428.367 1.562 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 1559975978 DVCXJDWTIXVVCQ-UHFFFAOYSA-N 449.573 1.493 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1587808465 SCADJYAJGIEJSY-HBIPHATFSA-N 437.591 1.676 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1588045775 QIKIBRBJNCEQCP-LJQANCHMSA-N 439.541 1.451 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1589048155 WFDACYXTYMISOP-UHFFFAOYSA-N 447.568 1.993 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 1595261801 VYCXIVKARWMRRZ-UHFFFAOYSA-N 436.516 1.951 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595569916 QXIBWXKUQUNCRS-QHCPKHFHSA-N 438.532 1.091 30 10 IDEE CC(C)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1602883380 DKSXVEIUVRKJPM-JLUOLNIDSA-N 443.552 1.229 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1611534777 ZTUUDWGZIIWILV-UHFFFAOYSA-N 448.541 1.960 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1624818961 BLSFYSQYBWBQIK-CVEARBPZSA-N 437.541 1.414 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCc1ccc(C(=O)NO)cc1 1626239551 SICXAZKQLXFNGD-MRXNPFEDSA-N 434.493 1.328 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)C1 1626712787 AGWGGTOBQFYEAC-NUXKCHKQSA-N 432.565 1.954 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@]1(C(=O)OCC)CCc2ccccc21)c1cc[nH]n1 1628211803 GSIPIDJGSRNWIU-NRFANRHFSA-N 428.445 1.215 30 10 IDEE C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1628417525 YBPRHMZARJNBNI-CQSZACIVSA-N 438.550 1.925 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)s1 1635224487 FDWAXXYUTDKULU-HNNXBMFYSA-N 440.591 1.551 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)NCC(=O)OCC)CC3)n[nH]2)c1C 1636830092 GSNBIIWXPJTACG-UHFFFAOYSA-N 442.520 1.608 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)ccc1F 1645354501 XLPDTDRSWQSQPE-OAHLLOKOSA-N 449.508 1.493 30 10 IDEE CC(C)c1n[nH]c(CC2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 1654690433 LZDBCUKNNZQWIS-UHFFFAOYSA-N 430.534 1.559 30 10 IDEE C=CCCS(=O)(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1655643384 XNKUBTMLVLKAQG-SJORKVTESA-N 442.582 1.760 30 10 IDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1663613142 DITIKMNCFVYBTF-KRWDZBQOSA-N 431.470 1.519 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1 1665255605 UAEHSMFCUGXLIX-LJQANCHMSA-N 427.549 1.579 30 10 IDEE N#Cc1cn(CCNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c(=O)nc1O 1671698476 DXWWJKNSYUMEFV-UHFFFAOYSA-N 444.249 1.590 30 10 IDEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1675939290 YYVLGWCKHMJRID-RTWAWAEBSA-N 433.512 1.900 30 10 IDEE CN1CCN(c2ccc(CCNC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 1684836042 NZWSIEDGCJNTDP-UHFFFAOYSA-N 433.560 1.779 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1689847588 CMXQMMVLIMPCKH-BXWFABGCSA-N 436.516 1.701 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ncccc1N(C)C 1690101355 XYEPXMNPELCCJG-UHFFFAOYSA-N 437.504 1.601 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(CC)(CC)OC)CC1 1690110233 DEEHOEXRGDRUMZ-UHFFFAOYSA-N 425.537 1.886 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)CCCC)CC1 1690142920 YBXYZNIBDLCRLW-UHFFFAOYSA-N 426.569 1.376 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690297694 CJMYYDQELNTWSD-HSZRJFAPSA-N 448.612 1.885 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690300574 FPICSWFQPQDPLP-CVEARBPZSA-N 437.570 1.208 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1690526822 DXOOXYJFGZOXIF-MAUKXSAKSA-N 435.550 1.335 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690671543 YNCATTLFWCTSFT-MOPGFXCFSA-N 442.568 1.947 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1691334624 BEDCLGFSWDBBDV-IYWMVGAKSA-N 446.596 1.772 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1694419622 GZZIOZHNSDDFOQ-IRXDYDNUSA-N 440.552 1.710 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1696492190 JDRXUWHLUUOWSR-UHFFFAOYSA-N 446.577 1.887 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696830469 PDMGKNGOEPFTMV-DXQAYGFFSA-N 432.525 1.560 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1697775194 JXRWZRRAZYSQQN-UYAOXDASSA-N 428.512 1.960 30 10 IDEE COCC[C@](C)(O)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1697936142 DRNDZJZWCVTUNZ-ZHRRBRCNSA-N 442.568 1.740 30 10 IDEE C#CCCCCn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705517654 ACUUDIXJFXPLSQ-IBGZPJMESA-N 437.610 1.911 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1705544161 GEDRUEZEFQDVOA-UHFFFAOYSA-N 443.504 1.322 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CC(=O)N1CCOCC1 1705546832 NSUMQICCEZKZGD-UHFFFAOYSA-N 436.285 1.775 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@@H]1C1CC1 1705588677 IIFBIINHPYOJHR-CDXJDZJCSA-N 433.578 1.556 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1705602173 KSOXCYOEDSMIFE-UHFFFAOYSA-N 444.495 1.871 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1705614042 WFOKVHVPGPWKHB-INIZCTEOSA-N 439.582 1.897 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1705627702 NQIYCBARCJKOSN-HXUWFJFHSA-N 440.548 1.538 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2F)CC1 1705642567 YGCXJBRLQXPPEE-UHFFFAOYSA-N 426.496 1.352 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCn2cccn2)CC1 1705642788 HGMRANWCQIIJGV-UHFFFAOYSA-N 435.532 1.908 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1705693147 CCVYRUWYGSEZGO-AEFFLSMTSA-N 439.520 1.608 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(=O)N(C)C)CC1 1705764578 FCAOTTRWQDMZBE-UHFFFAOYSA-N 446.577 1.830 30 10 IDEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705800357 VOUDZXIXDZOBSN-INIZCTEOSA-N 430.557 1.615 30 10 IDEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705813393 FZPVNXVQFXGNDD-UHFFFAOYSA-N 441.927 1.900 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1705828932 CFOVLABQIZBFFE-QGZVFWFLSA-N 431.566 1.601 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1705902972 NTLZOIHNQWDWDV-WSTZPKSXSA-N 446.596 1.410 30 10 IDEE CC(C)(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1706092252 FFJXRQWVWQNMKE-HXUWFJFHSA-N 428.472 1.530 30 10 IDEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1707046158 DAHWABQVMRNRGX-TWOQFEAHSA-N 449.533 1.027 30 10 IDEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1709750185 AFYKBIMUIAWWNV-IBGZPJMESA-N 428.562 1.784 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1(O)CCC1 1710729326 APQRRFCXNXLOCP-UHFFFAOYSA-N 428.541 1.360 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1722275636 CTEQRAHFFZXHJG-RCDICMHDSA-N 427.505 1.907 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1722369493 AAUBOOUASADZLD-SFHVURJKSA-N 432.546 1.888 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1722371995 NREWLTDQCZVHJX-GOSISDBHSA-N 434.566 1.191 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)N(C)C 1722405504 MAODTIQYYRZIED-UHFFFAOYSA-N 445.593 1.875 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)(F)F 1722407182 FWDCRQCZQQGZPD-UHFFFAOYSA-N 433.398 1.059 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722529141 PLLUDXSYVDJQAT-QWHCGFSZSA-N 441.476 1.249 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCN(CC)CC2)C1 1722722311 ZTFVEWWUBKQTCN-PMACEKPBSA-N 445.612 1.208 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCOCC(F)F 1726642976 KHVAITUNRZEIJO-GOEBONIOSA-N 448.478 1.788 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)CCOC1 1728777695 AYSVNAJXRPOWDT-KRWDZBQOSA-N 430.431 1.349 30 10 IDEE CN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1729414011 BBCBTCRRAIKLRV-QQMHEVNUSA-N 435.488 1.392 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1730920031 XUHWQPVFJBJUFH-JOCHJYFZSA-N 427.505 1.866 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CCO1 1731186231 AZEXWZJHXDMAEO-QGZVFWFLSA-N 446.895 1.098 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1740617072 LIPSFMAJBJURAZ-DYESRHJHSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1740624501 JGRKFLGWTZFOQH-GUDVDZBRSA-N 448.568 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCC1 1740642312 NYCZIGFTLVRYCX-UHFFFAOYSA-N 436.541 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740987691 XPTWTTDNAZMDLF-KRWDZBQOSA-N 438.598 1.730 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(=O)NC)CC1 1746433607 FFOOGQIBIMFTRO-GOSISDBHSA-N 438.580 1.415 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)N2CCOCC2)CCOC1 1746710143 BDYRNGIRSUPYCL-STZQEDGTSA-N 432.569 1.781 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H](C)C#N 1748291655 CUSNFQVDTJQXOW-GFCCVEGCSA-N 426.930 1.752 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1748864119 QHECMKAIQFJCCV-HOCLYGCPSA-N 434.591 1.920 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)OC(C)(C)C)CC1 1748993532 AYAGNSGFSAOTTP-UHFFFAOYSA-N 445.593 1.914 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1)C1CC1 1749519998 WJPOCFNHJMYOMA-RDJZCZTQSA-N 425.555 1.192 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1749591157 MNZQLUYVCWZCGU-DLBZAZTESA-N 426.521 1.972 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1749670573 UCZSGSGDGXLOHP-UHFFFAOYSA-N 426.569 1.645 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC(N)=O)c2)C1 1749707008 SYJOQKBXRWBTAJ-IBGZPJMESA-N 436.516 1.977 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C[C@H]1C 1749873289 FCLNNZUWSOWLQO-INZIPBBXSA-N 442.589 1.885 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCc2cccnc2)cc1 1750384614 HJSFQAGYPAKENU-UHFFFAOYSA-N 438.513 1.601 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC(F)F)CC1 1760255500 CJJHGDBLTZPXLR-UHFFFAOYSA-N 440.857 1.874 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1760283837 AXCXWVCVKNFFKJ-KRWDZBQOSA-N 432.594 1.652 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2CCOC[C@H]2C1 1760317000 ZQJYFXJRCNZUIO-WTGUMLROSA-N 435.569 1.504 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760356737 VXWAJIVAHZYSGW-MSOLQXFVSA-N 428.541 1.872 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760379447 UCXCWLPOXWUCCF-HNNXBMFYSA-N 445.973 1.183 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1760427899 KYQSRUOPDDELGM-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE C[C@@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1761509172 HESOLAMGFAAFCJ-YCRPNKLZSA-N 444.923 1.804 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1767748843 BLSFBAMXXISDEE-MRXNPFEDSA-N 430.534 1.214 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768005389 HHTAVUONOZVQBG-WFJJUKAGSA-N 444.536 1.561 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(COC)CCOCC1 1769301751 CIDUXQNYWZMCOE-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CCN(S(C)(=O)=O)CC1 1851195754 BMIARWYUQKGNOI-INIZCTEOSA-N 437.525 1.896 30 10 IDEE CS(=O)(=O)c1ccc(CCC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1853242193 SYXLOSRRABLKCV-UHFFFAOYSA-N 442.541 1.655 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)C(=O)C1 1855396387 VGWIJFDWLWJQSO-LJQANCHMSA-N 433.574 1.930 30 10 IDEE O=C1c2ccccc2C(=O)N1CCOCCOS(=O)(=O)c1ccc2nc(O)oc2c1 1860406175 NIDYRCLTADKULI-UHFFFAOYSA-N 432.410 1.552 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862632936 BDHWEPZAUWNLHS-KRWDZBQOSA-N 428.353 1.600 30 10 IDEE O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCC#CCN1CCCC1 1889778874 PTJLABZNUJYWFB-GOSISDBHSA-N 448.552 1.835 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 1892215573 RUCJLFLBTIKRNS-UHFFFAOYSA-N 446.511 1.220 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(I)cn1 1985090908 ADMXLMJEOWRXAG-GFCCVEGCSA-N 432.262 1.521 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124524811 WRWULSFQRITIPE-INIZCTEOSA-N 445.325 1.660 30 10 IDEE CO[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)[C@H]2COC[C@@H]12 2172781114 ZLGRXPSZAPLPNG-VHDGCEQUSA-N 425.132 1.993 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2244993844 RJFBZACCURMJOC-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248433781 QDHDMGSERAODMH-QQKBFRNYSA-N 436.343 1.501 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](C(=O)O)C1 2255368305 REQDPFYFALVHIK-CQSZACIVSA-N 433.314 1.891 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255380509 AWDQIBOGWUASSY-KEYYUXOJSA-N 435.330 1.134 30 10 IDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2255539916 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440.569 1.145 30 10 IDEE CCn1c(N/N=C/c2cc(Br)c(O)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2C 109611366 GVVVPPZRIBZOKZ-CNHKJKLMSA-N 437.254 1.366 30 10 IDEE C#CCCN1C(=O)[C@@H]2[C@H](c3cc(Cl)cc(Cl)c3Cl)N[C@](CO)(C(=O)O)[C@@H]2C1=O 248229981 KNWFXAJGXWTUID-XBPIAWKYSA-N 445.686 1.731 30 10 IDEE COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 464810858 GPDPPEVRCNWMMV-UYAOXDASSA-N 443.548 1.947 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 486013746 XDEHCAFVJGYGPH-CYBMUJFWSA-N 442.540 1.967 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 501202625 KKRJZYIBVCCVRZ-CQSZACIVSA-N 437.903 1.214 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ncc(C#N)cc4Cl)CC3)C2=O)n(C)n1 508033585 BDVOFVIWIFMLSU-QGZVFWFLSA-N 441.923 1.602 30 10 IDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 509010154 FBHHJAJZKWYXJN-HZPDHXFCSA-N 436.538 1.200 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]2CCCO2)c1=O 530315479 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446.554 1.479 30 10 IDEE CCN1C(=O)c2ccc(C(=O)N=c3nc(C)[nH]n3-c3ccc(C#N)cc3)cc2S1(=O)=O 741946475 TYVVZWUBVHLCKP-UHFFFAOYSA-N 436.453 1.286 30 10 IDEE COc1ccnc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)n1 758773321 QYRUSLQAJBODTN-GJZGRUSLSA-N 431.497 1.076 30 10 IDEE CCOC(=O)C1=C(CN2CCN(c3cccc(C#N)n3)CC2)NC(=O)N[C@H]1c1ccco1 760913780 UJVFKWMUIFEOKS-FQEVSTJZSA-N 436.472 1.540 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN3C(=O)OCC[C@H]3C1)CCCC2 764443580 ZKYTZRCXPXQCRF-DLBZAZTESA-N 441.532 1.883 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 780203385 BUVNXRXLZBIRMY-OAQYLSRUSA-N 427.501 1.822 30 10 IDEE CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c(F)c1 780216153 YINHQZNZEIFZIQ-JOCHJYFZSA-N 439.443 1.825 30 10 IDEE C[C@@H](c1ncn(C)n1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 780310813 AKHGVPLDUFBQSZ-BBRMVZONSA-N 447.540 1.715 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)n1 788854705 RKADQGLHGVHWNU-UHFFFAOYSA-N 435.410 1.936 30 10 IDEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)n(C)n1 790002535 CBQGQLAVJWZZKD-SFHVURJKSA-N 428.562 1.928 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 797814902 GOUNHWSCEITYHB-VNQPRFMTSA-N 446.529 1.585 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)n1 801075180 PYBCOEXQIMYFNA-LJQANCHMSA-N 439.516 1.354 30 10 IDEE CS(=O)(=O)N1CC[C@H](COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 801225299 MKFPQXJMJTYEQJ-AWEZNQCLSA-N 448.501 1.847 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1 803434167 XHAUCFGGXQJYRB-CQSZACIVSA-N 445.463 1.519 30 10 IDEE C#CC[C@]1(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 804692275 JEYVLZCFTGLFSZ-OXQOHEQNSA-N 427.567 1.710 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(C)C)c1 813562984 FTYFQBOQQCDTFI-MAUKXSAKSA-N 447.605 1.944 30 10 IDEE CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 818097612 DGGJTUYRVGYUOF-QURGRASLSA-N 437.456 1.968 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC(=O)NCc2ccco2)cc1 916716756 ZJFRCFQRLRNVDY-HAVVHWLPSA-N 433.490 1.530 30 10 IDEE CCN(CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(F)cc1)S(C)(=O)=O 917682721 ZDRHXKCFDYOUGG-HNNXBMFYSA-N 444.554 1.565 30 10 IDEE N#Cc1ccc(OC(=O)C2(n3cnnn3)CCOCC2)c(I)c1 1128552617 HBISBXVVPQCREG-UHFFFAOYSA-N 425.186 1.261 30 10 IDEE Cn1cc([C@]2(CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCCO2)cn1 1134580975 FAZQKLPFEMRMBZ-PGRDOPGGSA-N 436.472 1.319 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)c3cccc(C#CCO)c3)C2)C(=O)C1 1138382347 BETLPJDJHGCMPH-HXUWFJFHSA-N 441.528 1.714 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)C(=O)OC(C)(C)C 1140102462 IPHAFYPADQEOPI-UHFFFAOYSA-N 444.598 1.368 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)C[C@@H](CO)C3)nnc12 1161487548 QYSGLAYUCOKHSD-LSDHHAIUSA-N 427.530 1.799 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 1175514890 KDABIJYWLIKKNV-UHFFFAOYSA-N 443.369 1.950 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 1230514094 HFTUTKQSLYTHAF-UXHICEINSA-N 432.546 1.922 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)n1 1251274896 LPGARXDCUWHUDA-QZTJIDSGSA-N 435.525 1.309 30 10 IDEE CC(C)(CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)S(C)(=O)=O 1251959496 ASDIWUIQNCTKES-UHFFFAOYSA-N 444.561 1.993 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1286294327 CXNNCKFYZNWVAH-HZPDHXFCSA-N 429.612 1.458 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286324465 QFQWWTNGJHWXLU-MOPGFXCFSA-N 446.577 1.394 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286386407 ZMZHLMBAFFCYJZ-OTWHNJEPSA-N 437.610 1.528 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCN1CCN(Cc2ccccc2)CC1 1286435727 HQFMVJBWUMIPIU-UHFFFAOYSA-N 437.592 1.694 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCOC2)CC1 1286472639 UYGWTYXPZPLALS-VGSWGCGISA-N 445.951 1.978 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1286745092 BHPQFJPVVRORDK-GOSISDBHSA-N 431.562 1.851 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)OCC)ccc1F 1288742096 JVPJNOKIGXSNIQ-ZBFHGGJFSA-N 428.482 1.521 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1288770876 BJBQKGKPGFTGRK-JKSUJKDBSA-N 442.549 1.861 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1Cc1ccc(C#N)o1 1288820621 JUKMVSKSJLPUDW-SOUVJXGZSA-N 434.522 1.264 30 10 IDEE Cc1cc(I)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1289206072 PFVZHNFNDLLHDS-WFASDCNBSA-N 430.267 1.610 30 10 IDEE C#CCN(C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[C@H]1CCS(=O)(=O)C1 1291928966 OPMAWYPLKUQAPF-SFHVURJKSA-N 436.489 1.745 30 10 IDEE CCc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1293121833 IVMLPJGYAYRKTG-AMGRQBIBSA-N 429.525 1.060 30 10 IDEE C#Cc1ccc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 1298092986 NNRHESURACSORT-CEXWTWQISA-N 432.542 1.954 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1300283356 MBHHNRNGILDJJP-LSDHHAIUSA-N 436.559 1.241 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1300381102 NZZWOHIROMIUQG-QGZVFWFLSA-N 428.924 1.990 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1300489960 WLQBLQSCVYRPBU-SIKLNZKXSA-N 444.557 1.286 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CCC1 1300515929 CUPZRGXPBGGOJC-LJAQVGFWSA-N 444.582 1.723 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2ccccc21 1300654326 WRROATWFDZONSN-FUHWJXTLSA-N 431.562 1.704 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1300895351 QILMBNNCWKCXEM-HCXYKTFWSA-N 449.552 1.872 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1300988394 BWQHYPRMNKQVLV-OWCLPIDISA-N 448.611 1.031 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC=CO2)CC1 1301126975 XOSKBISIFMYOCM-ROUUACIJSA-N 437.566 1.706 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301528593 CIPOMOPNGHZWOW-RTBURBONSA-N 438.532 1.947 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1303488445 AOMCGZSILZEGOY-XLIONFOSSA-N 437.566 1.493 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CS(C)(=O)=O)C2)n(-c2ccc(F)cc2)c1C 1308116471 FPSOHDBIAWSQEX-GOSISDBHSA-N 448.520 1.789 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(CCNC(=O)c3ccccc3F)CC1)C2 1313190752 MYMRHCLCHYXQCY-HXUWFJFHSA-N 435.503 1.922 30 10 IDEE C#CCN1CCC(NC(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1313359602 YEKYLWHSDITSCL-QGZVFWFLSA-N 428.537 1.671 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCOCC2)CCO1 1316539710 FTOJTDFBYONRBR-IBGZPJMESA-N 430.484 1.447 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)n(C)c1=O 1358946317 QCADMNKWBDDSKN-UHFFFAOYSA-N 439.545 1.363 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1358961242 VADJWHKIIAATSS-INIZCTEOSA-N 445.574 1.373 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358961836 FZAVXNYHJQIKKN-IRXDYDNUSA-N 449.577 1.063 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CC 1358971661 DNXNZYFUHFOMSW-IBGZPJMESA-N 425.558 1.906 30 10 IDEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1359013359 VPSPLEXEMXHSRR-UHFFFAOYSA-N 446.573 1.873 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CC=CCO2)n1 1359028319 OARPMIBERCRRHB-ICSRJNTNSA-N 426.521 1.610 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1359043901 NFLNBPXGUSQISA-UHFFFAOYSA-N 426.565 1.770 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359059506 PIQNBIAWXJQZLT-QGZVFWFLSA-N 434.591 1.148 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccn1 1359122003 SCWOBQKOJBMIJC-GOSISDBHSA-N 434.566 1.651 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@@H]1C 1359133350 QGAKTNPFHJMCST-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1 1359275009 HZQQQUTXBIKXIZ-HXUWFJFHSA-N 425.533 1.876 30 10 IDEE CC(C)(C)c1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1 1359497293 MQSXZMIMTOMZDW-SFHVURJKSA-N 446.577 1.911 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1360311996 DQJCXHCPWVVEOR-UHFFFAOYSA-N 445.593 1.675 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 1439177104 NEEBWRMJLMALLL-UHFFFAOYSA-N 430.468 1.249 30 10 IDEE COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1443378688 FVNUEYUMBUGSLI-UHFFFAOYSA-N 446.353 1.242 30 10 IDEE COC[C@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCCN1C(=O)OC(C)(C)C 1443537923 ROYYLYLWYDMORP-PQORCFSTSA-N 436.509 1.435 30 10 IDEE C#CCOCCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1446754869 ZSRNSDHOWSPCQU-UHFFFAOYSA-N 442.310 1.515 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC(CC#N)CC3)CS(=O)(=O)[C@@H]2C1 1447586525 QFXZTJCENCLWOL-BRWVUGGUSA-N 425.551 1.809 30 10 IDEE C=C[C@](C)(O)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1463942736 HAKHQWGMMCTABE-RNTFSAEZSA-N 436.486 1.802 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)N(C)C 1495722130 GKGDRYPRLPWMRY-OAHLLOKOSA-N 427.557 1.510 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1499308770 YAFUKTDOPUGKLN-IBGZPJMESA-N 435.532 1.838 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1505144113 IWIOZRBGXFFJFB-LJQANCHMSA-N 443.577 1.431 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1507623809 XJYCVAJXZACDQA-SFHVURJKSA-N 443.573 1.610 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1507637225 ITHFAUOTHSWFQH-RBUKOAKNSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1507665932 XQIGZXKICWDMMP-UHFFFAOYSA-N 434.525 1.782 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1NC(=O)CC1(C)C 1507711335 UHZFWAINESLZGZ-MOPGFXCFSA-N 439.516 1.791 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1507836947 FBTSHCKGANESMT-MRXNPFEDSA-N 427.571 1.488 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNS(=O)(=O)CC)CC1 1507897459 JIFNKPZIFKXMQR-LJQANCHMSA-N 427.571 1.272 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1507913746 AVOSQKOSJSQPAR-LSDHHAIUSA-N 427.571 1.880 30 10 IDEE CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1509860272 XDGYVUVGACMZDX-GOSISDBHSA-N 438.536 1.638 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1515095088 FCIMQBIIEQAZLU-OAHLLOKOSA-N 449.519 1.750 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1516863281 WSIQLXIOHRPJRY-WJOKGBTCSA-N 438.561 1.645 30 10 IDEE CN(C)C(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1516972624 LBEIXOHDIYPRRT-IYBDPMFKSA-N 431.541 1.877 30 10 IDEE C#CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1529684799 UZPVYYJUCPMSHA-KRWDZBQOSA-N 435.521 1.554 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539215481 DBFDPJKUEZJKEV-MRXNPFEDSA-N 445.574 1.395 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 1540870962 ARSXKYSTBBOSEW-STQMWFEESA-N 435.472 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@@H](C)C1 1540904132 KSGQHVSYTCUZOW-SOUVJXGZSA-N 448.636 1.111 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1540908316 FOJNPFSQERYIHD-UHFFFAOYSA-N 447.561 1.378 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540915816 OIDYFMXNJVIGMI-MSOLQXFVSA-N 445.593 1.867 30 10 IDEE C=CCN(C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)[C@@H]1CCS(=O)(=O)C1 1542217204 SXVJDJYXZDAHKA-CQSZACIVSA-N 426.539 1.901 30 10 IDEE Cc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1543139097 HKKRPCDQFXNIRB-HNENSFHCSA-N 445.430 1.466 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2CCN(c3ccccc3)CC2)s1 1543449688 KMNNLXRXERNPDA-UHFFFAOYSA-N 448.614 1.693 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)s1 1543580830 KQTWNSFVCQGVGL-LBPRGKRZSA-N 440.012 1.615 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1=O 1555581333 GBBHDKPIMHMJBL-UHFFFAOYSA-N 435.463 1.694 30 10 IDEE CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H]1CCCN(O)C1=O 1569676009 MYMPCRNVTSKPBE-GJZGRUSLSA-N 441.326 1.913 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1586185198 SSYJKGXNUCINOP-CYBMUJFWSA-N 436.584 1.870 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1588181530 WLQYGCDKYDFUBW-INIZCTEOSA-N 432.550 1.648 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1588581336 NWCRCTZDVQKBNF-LJQANCHMSA-N 438.937 1.234 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2CCOC2)CC1 1588762571 LHYBNDNLFPXNBJ-GOSISDBHSA-N 443.573 1.530 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC[C@H]2CCOC2)CC1 1588856870 DRSGTQCJWODURF-LJQANCHMSA-N 444.605 1.832 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(F)cc(C)c2C1 1595467089 QADXTCJYCRPVMD-UHFFFAOYSA-N 426.496 1.827 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 1595778083 VYVCBTUHFDFRBE-CQSZACIVSA-N 437.953 1.901 30 10 IDEE CNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1618522843 IDVYUNZPYJLCIV-UHFFFAOYSA-N 429.550 1.782 30 10 IDEE COc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)c1 1619330383 AYTAHVHFMUWAGZ-INIZCTEOSA-N 439.520 1.577 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1619452904 GVXRCHZOVJUFPZ-ZYSBOAIWSA-N 445.545 1.896 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)OC)CC2)n1 1619467545 FOCWVRSCYMKFEV-MRXNPFEDSA-N 434.504 1.977 30 10 IDEE C[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1625326655 DDGUGVFDQMLQDL-MRXNPFEDSA-N 442.520 1.070 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 1631252118 YNDCMKYHEQQWLW-HNNXBMFYSA-N 434.518 1.606 30 10 IDEE C=CCCSCCNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1631534022 BIPMXKKRDNGATC-UHFFFAOYSA-N 426.608 1.731 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C3CC3)[C@@H](C)C#N)CC2)cc1 1632302823 DLFTUCFFINXGSR-KRWDZBQOSA-N 432.546 1.511 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C 1634265674 XTXBPKNEIVPEHG-HNNXBMFYSA-N 426.539 1.871 30 10 IDEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512357 CGTOZPDCJZSEFD-SQGPQFPESA-N 435.571 1.243 30 10 IDEE COc1cc(Cl)c(Br)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636660 KSTDCVCYEKQHHA-UHFFFAOYSA-N 439.653 1.942 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN([C@H]4CCOC4)CC3)C2=O)cc1 1640918323 CCXFNLALICZOHO-OALUTQOASA-N 425.489 1.133 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CCOC2=O)CC1 1642190264 GPEATQAJGPXDNZ-KRWDZBQOSA-N 448.545 1.583 30 10 IDEE N#CC[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F 1645009659 ACFVHRIBFLMZTO-OAHLLOKOSA-N 446.451 1.260 30 10 IDEE C#CCN1CCN(C(=O)COc2cc([N+](=O)[O-])ccc2I)CC1 1651927419 GPFRQUVDTHUSKZ-UHFFFAOYSA-N 429.214 1.356 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 1683150603 BUNTUHGZIBUWEE-UHFFFAOYSA-N 440.525 1.876 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)nn1 1683315068 GXHDSQLPOHPOKR-JKSUJKDBSA-N 429.525 1.855 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689898137 UFTADQCREDGJAL-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689986158 JVVZRUOMYJBFJV-IRXDYDNUSA-N 446.577 1.215 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689993841 MLECZFWUKVRWHG-AEFFLSMTSA-N 449.602 1.687 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1690119346 BCIFJLYUDPKDGZ-QGZVFWFLSA-N 433.482 1.980 30 10 IDEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690475155 HHUQRIMWWKZLJQ-UHFFFAOYSA-N 435.532 1.956 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)C1 1690697331 STOVEKSUTGGFNP-ROUUACIJSA-N 430.553 1.850 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1692851447 CDAPWANBFXLDTC-RNODOKPDSA-N 426.456 1.282 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1695416760 GTKSZONVAVJYOQ-UHFFFAOYSA-N 434.508 1.131 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC=CCO1 1696329147 IYUUIXZFUWTRSZ-KRWDZBQOSA-N 426.525 1.400 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705476334 XMWHBJPYOPVICY-INIZCTEOSA-N 445.545 1.455 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1705477825 SIOPFLATYDVMJN-CHWSQXEVSA-N 427.477 1.996 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705523025 QKPSGKKWPKZDSE-QGZVFWFLSA-N 433.520 1.304 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705567650 XXBCGOQCWTUIPM-QGZVFWFLSA-N 432.594 1.892 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC(C)C)N(C)C 1705612129 ADOBGQBNYLAJSS-ROUUACIJSA-N 440.614 1.047 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1705633939 CLCIGBCJISIRTO-UHFFFAOYSA-N 431.500 1.251 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCOCC2)CC1 1705636302 FKFCNQZSJCIDGX-UHFFFAOYSA-N 443.983 1.861 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705900313 YOJATIVCRYJOLV-LJQANCHMSA-N 436.520 1.361 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1710361105 XSCJFKOUIWOOOL-QFIPXVFZSA-N 437.504 1.574 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1712344919 AAJWCKQWIODELR-SFHVURJKSA-N 438.532 1.962 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN2CCCO)CCO1 1712884130 HEHJBPIPIJOAJY-IAGOWNOFSA-N 446.502 1.723 30 10 IDEE O=C1CC[C@H](c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)N1 1712914294 HXLZHLLEZWBQBS-IEFMBFDVSA-N 449.462 1.237 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1722294569 HKNNGEIUYVRURQ-OALUTQOASA-N 436.626 1.056 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1722309633 YGKIXTHDLLQPTD-QGZVFWFLSA-N 431.566 1.413 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1Cl)N(C)C 1722341894 FOROBMCCMFWQHU-YOEHRIQHSA-N 438.985 1.914 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1722352596 OWZBFWICZVDTBK-RBUKOAKNSA-N 444.557 1.774 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(-n2cncn2)nc1 1722362632 RDMJYOOKRMKRBB-UHFFFAOYSA-N 430.472 1.959 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722371878 ZLJYZCIDKALBMP-PBHICJAKSA-N 435.550 1.850 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1722430018 ZCERGEXWFODQIH-OALUTQOASA-N 445.589 1.791 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1722439115 PDQCJHKVPGYAHJ-HXUWFJFHSA-N 445.564 1.731 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCOC)CC1 1722508092 QRORIFFJBXGEJI-HQRMLTQVSA-N 433.553 1.842 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722517330 JROBJUNISNCFBV-INIZCTEOSA-N 433.582 1.949 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722537681 CUBJSELCDREGCQ-LJQANCHMSA-N 432.569 1.467 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)c2ccccc2C1 1722689822 AOVILELIGAJLBM-UHFFFAOYSA-N 446.515 1.684 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)SC)C1 1722719469 UUQFKRLGDQMSSI-ARFHVFGLSA-N 445.611 1.144 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nccs2)C1 1722727562 JIGXVBKBMWPBSK-LSDHHAIUSA-N 439.563 1.417 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1729201382 HGLFLEMPRZGGPV-OAHLLOKOSA-N 441.460 1.710 30 10 IDEE CNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1729654055 DYOCISZUVLFIMC-QHCPKHFHSA-N 435.532 1.938 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1740551796 LXEWLAAYGCBNLB-QRFRQXIXSA-N 445.589 1.950 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740571530 RBZAYLRXHXXEJB-UHFFFAOYSA-N 431.504 1.359 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740598575 VKVHNDBHUCHUQB-WMZOPIPTSA-N 439.582 1.276 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1740637452 BRLZNIZPELJEJG-IBGZPJMESA-N 426.542 1.891 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCc2nccn2C1 1740641747 MWCZVWSHDFRRQX-KRWDZBQOSA-N 433.541 1.802 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740958765 UMVDLQJZFJMIAY-HOTGVXAUSA-N 425.555 1.225 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1740975685 DNYKZXOMVGJYJS-OALUTQOASA-N 427.553 1.873 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](COC(C)C)C1 1740989777 XVWVJGBKTFFWDR-KRWDZBQOSA-N 437.566 1.515 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1741714240 PYSIGFDVFWHTIS-GPMSIDNRSA-N 425.555 1.492 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1748784400 MIBJYCXKGWNGKQ-MWTRTKDXSA-N 436.516 1.845 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(OC)CCOC1 1748876811 UGDXLQUAOKSVPW-JOCHJYFZSA-N 432.488 1.189 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCSCC1 1748957191 XXFWDSAZTUVBEB-UHFFFAOYSA-N 429.546 1.809 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCCC)CC1 1748979953 UPHSPMXTTIIALA-UHFFFAOYSA-N 445.365 1.989 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1749234879 BFWBTVZQEVTJQI-HRCADAONSA-N 446.533 1.050 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1749519744 RIHNPZPDBVYEMS-CABCVRRESA-N 428.580 1.160 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1749669453 LASVZPMQPNDBIP-INIZCTEOSA-N 444.511 1.559 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1750194740 KAWPOUSMIJZAML-SFHVURJKSA-N 426.502 1.790 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1760117400 OJMAVHJRPONRAT-LPHOPBHVSA-N 449.552 1.759 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1760189944 SJNPBCFSNTUARX-INIZCTEOSA-N 445.545 1.989 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1ccnn1 1760206031 PGQKJTGQRILDGV-UHFFFAOYSA-N 430.520 1.207 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(C)(C)N1CCC(OC)CC1 1760247959 WDJOAPRPRQCUEX-UHFFFAOYSA-N 427.553 1.711 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2C[C@@H]2C)CC1 1760260825 CFMHUQXNPZZSCM-FHWLQOOXSA-N 444.580 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N2CCOCC2)CC1 1760266998 QPYNTIKYYZHRHT-KRWDZBQOSA-N 440.548 1.533 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1760495411 NHSBWPGOKNKDDD-ROUUACIJSA-N 438.598 1.131 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)C1 1760542118 DHGRWQILROJXHQ-RCCFBDPRSA-N 440.566 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760551546 JPFFSGUZYOZPBJ-UHFFFAOYSA-N 447.561 1.896 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760553383 SWYRVKFOYSLBTH-HDICACEKSA-N 431.518 1.268 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1765497092 GUDQBUMAVGNESD-ZWKOTPCHSA-N 438.580 1.543 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1767230652 ALUKFIUVLHBGMA-GOSISDBHSA-N 447.561 1.741 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1767415632 IAEIOVGXYPRTHF-UHFFFAOYSA-N 438.532 1.962 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1770147007 YCCRWAULOPMJEH-SFHVURJKSA-N 433.534 1.493 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ncn(C)n1 1771110229 ICBYUGNWNZQRER-UHFFFAOYSA-N 432.492 1.878 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1771245839 AMJARIADZOVLPI-IBGZPJMESA-N 427.505 1.885 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1771305154 UQHBCWPRMVHVNM-FSGKZVOOSA-N 448.568 1.230 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 1849644633 DZLTUQPEWICDIR-IBGZPJMESA-N 445.520 1.744 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)cc1 1852328189 CKNBDRYBOOKUNC-FQEVSTJZSA-N 444.509 1.898 30 10 IDEE COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(CCC#N)CC2)c2ccccn2)cc1 1852649426 HTCGLOFRIVMVPQ-UHFFFAOYSA-N 443.529 1.343 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccccc3C2)C(=O)C1 1853961199 SBCSTGRTEPUSFU-QGZVFWFLSA-N 425.466 1.169 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(Cc4cocn4)C3)CC2=O)c1 1854103453 GMPQNVOLUCOWDS-KRWDZBQOSA-N 427.892 1.953 30 10 IDEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1=O 1855738571 YOJNGHDYDZOQAM-CQSZACIVSA-N 444.435 1.053 30 10 IDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1 1856267584 XKNISHJLRGMVJP-HZPDHXFCSA-N 431.514 1.269 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1C[C@H](C)O 1870549233 FZLKENBHDHAGSX-ICSRJNTNSA-N 433.549 1.419 30 10 IDEE C=CC1(NC(=O)C2CC(O)(CNC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993314191 IMYOICILENYGNA-UHFFFAOYSA-N 425.526 1.944 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2216454270 OALOJOKDSBYTHA-ABAIWWIYSA-N 427.361 1.822 30 10 IDEE CC(C)(C)OC(=O)NCCOCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248414944 RYMSOQFIVWEYJM-UHFFFAOYSA-N 441.359 1.600 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1NC(=O)C(F)(F)F 2255627544 VACUALCGCIFYME-JQWIXIFHSA-N 430.236 1.238 30 10 IDEE C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255702520 HNJLIIMZXKTONH-ZDUSSCGKSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2255827765 MOMYYZUDVJPDQV-KGLIPLIRSA-N 438.309 1.786 30 10 IDEE Cn1nc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 2255843996 OUWOAFPMSRAHAS-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255850517 WCZNLRJRRIDBLG-UHFFFAOYSA-N 438.330 1.928 30 10 IDEE Cc1nc(NC(=O)COCCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256636343 LUXWKKUVURCOOS-UHFFFAOYSA-N 436.318 1.564 30 10 IDEE C=CCO[C@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270515331 ABRFRNRRXIXKAT-DLBZAZTESA-N 426.491 1.061 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2272632004 OBPHOJRGZLYZFV-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303951735 YWZALLMEHDFMJM-AWEZNQCLSA-N 428.335 1.319 30 10 IDEE Cn1nc(C(=O)N[C@@H](CCO)COCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2320418315 DGIQNISXNMXEAH-KRWDZBQOSA-N 429.326 1.417 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2334308870 GJBLTNNFDLWUQS-RBSFLKMASA-N 444.341 1.904 30 10 IDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)c1ncc(I)s1 2365196120 JCFFRCGTDMGRBW-WPRPVWTQSA-N 428.317 1.196 30 10 IDEE C=CCn1c(=O)/c(=C/c2ccccc2OC(F)F)s/c1=C(/C#N)C(=O)NCCCOC 3362984 PZKDFLASHZBMPE-QTDJHMCFSA-N 449.479 1.353 30 10 IDEE N#Cc1c(NC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)sc2c1CCCCC2 19541456 JORJIPITMOLYHM-UHFFFAOYSA-N 445.589 1.304 30 10 IDEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CCn3ccc(=O)[nH]c3=O)nc12 170576423 RROGKJSXWSWRLU-UHFFFAOYSA-N 445.439 1.488 30 10 IDEE Cn1c(=C(C#N)C(=O)c2ccc(Br)cc2)sc(=Cc2ccccn2)c1=O 433020981 PGZQPXYKOQLOIN-UHFFFAOYSA-N 426.295 1.990 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)NCCCC)c2)CC1 437597594 DHMSTUJBLBGHDN-UHFFFAOYSA-N 437.566 1.217 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 477845217 OKPKWANZZMAGJT-UHFFFAOYSA-N 428.533 1.786 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 478452299 UEDTZIFCFHXFSQ-UHFFFAOYSA-N 437.518 1.310 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 492395662 NCHUTZMAWXAKOT-AVRDEDQJSA-N 446.548 1.163 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 503092277 JSOPRTGMXMPPHT-FQEVSTJZSA-N 443.566 1.337 30 10 IDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508995660 CKVYLYXNEVYLIK-UHFFFAOYSA-N 444.923 1.292 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)ccc1F 517923306 FDPGFSCWYMHZSU-QGZVFWFLSA-N 441.528 1.662 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)ccc1F 518237311 HHESMZPURNYYGH-UHFFFAOYSA-N 442.516 1.983 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 520840234 FYCLOIPIRSGPDS-WMZOPIPTSA-N 445.589 1.936 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCOC2)c1=O 527279943 HZIIERGSCLAFIR-HNNXBMFYSA-N 426.542 1.596 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 531387938 KQVPEWHBLADXFR-UHFFFAOYSA-N 428.470 1.851 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn2cc(Br)cnc12 539884015 QEDDOVDSSVSGHZ-NSHDSACASA-N 427.266 1.504 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CN2CCCc3ccccc32)C(=O)O)c1 547873964 HMISRVNMNPIRBD-IBGZPJMESA-N 443.525 1.787 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3cc(F)c(C#N)c(F)c3)CC2)cn1C 549726829 OALYVPPNAUEQMD-UHFFFAOYSA-N 437.472 1.596 30 10 IDEE COCC[C@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 554774422 KCTFDEGJHABMMG-MRXNPFEDSA-N 446.323 1.237 30 10 IDEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCNC(=O)CC1 579726734 RWHTWQJGZDTRKB-UHFFFAOYSA-N 430.534 1.242 30 10 IDEE N#CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CC1 588126842 SSVWDZFRWUDQFI-UHFFFAOYSA-N 448.365 1.197 30 10 IDEE COc1cccc(-c2nc(=NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)s[nH]2)c1 589387033 CDMMQXBGUXZLQV-UHFFFAOYSA-N 429.483 1.424 30 10 IDEE O=[N+]([O-])c1ccc(NN=Cc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c([N+](=O)[O-])c1 606512449 WCKFIJPHKPHMMN-UHFFFAOYSA-N 446.375 1.442 30 10 IDEE CC(C)(C)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617038061 GANZPXQNEDUYMO-LJQANCHMSA-N 425.533 1.949 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 680518124 ZMOPKORCORNXGN-UHFFFAOYSA-N 435.937 1.929 30 10 IDEE O=C(COc1ccc(I)cc1)NCCN/C(O)=C1\N=CC=CC1=O 731886673 BFBPOGOGSQSDTM-FOCLMDBBSA-N 441.225 1.313 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2)C[C@@H](C)O1 732446596 SXEOPWLKBFXXAJ-MOYODAKZSA-N 428.493 1.021 30 10 IDEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)n1 732466368 MZBIJLBKFCDXPS-UDJKBAMHSA-N 426.477 1.277 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cn1 735069590 XKDOVWZMTMOYBE-UHFFFAOYSA-N 437.500 1.426 30 10 IDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C#N 746767949 DEOBRVIMBCRNDX-UHFFFAOYSA-N 428.514 1.924 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752183572 DUSUMSZAUQBAKF-CQSZACIVSA-N 435.527 1.726 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)C(C)(C)C1 757103965 SCXMKSVVZCMFBQ-HNNXBMFYSA-N 441.575 1.320 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cncc3ccccc23)c1=O 758091708 WZTTVOUFEZIAHU-UHFFFAOYSA-N 446.557 1.170 30 10 IDEE COc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1S(=O)(=O)N(C)C 760401557 YEBSYBBRIRWFGE-UHFFFAOYSA-N 443.547 1.479 30 10 IDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n([C@H]2C[C@H]3CC[C@H]2C3)n1 775154035 FDUACICHGOFNGN-MXDIEHJYSA-N 426.477 1.134 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 778045422 PENMJVTYUPTAPU-MAUKXSAKSA-N 435.546 1.973 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(N2CCN(C(C)C)CC2)c1 792221679 MUEHPFIOXDBOOR-JOCHJYFZSA-N 438.576 1.663 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1C 807928412 FKRWTAVQYDCZEX-GOSISDBHSA-N 443.577 1.632 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](CC#N)C(F)(F)F)c2)CC1 1133828217 TYUGZPLRXKNKLY-HNNXBMFYSA-N 432.424 1.114 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(N3CCOCC3)c2)s1 1141391799 VDANPFVTBAONEP-UHFFFAOYSA-N 436.559 1.303 30 10 IDEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCCN(O)C1=O 1141463473 MXQZVHQKRQGOIZ-ZFWWWQNUSA-N 447.351 1.539 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NOc2cccc(C#N)c2)o1 1151432177 QJWJMIVCXPIEDZ-HNNXBMFYSA-N 433.442 1.591 30 10 IDEE C#CC[C@@H](COC)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1169299888 IKYHHAXJIHADNB-KRWDZBQOSA-N 426.330 1.860 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1286272668 DDVXTYZNSNAOIU-SJORKVTESA-N 446.577 1.231 30 10 IDEE C#CCCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286333409 GUCBSUUMTOBUAU-FQEVSTJZSA-N 425.533 1.827 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1286376627 MVYXOQGFTFTGTI-IEBWSBKVSA-N 429.546 1.410 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1286394475 OQLZABMRNOBPDJ-HSALFYBXSA-N 449.621 1.673 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1286448153 QKTMKSBPNJIINF-SFHVURJKSA-N 441.557 1.815 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(C)cc2C)CC1 1286471980 PIXLJZGFJWMFOX-LJQANCHMSA-N 444.605 1.503 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CC=CCO2)CC1 1286488861 WIFASROZVLNMPA-IEBWSBKVSA-N 431.537 1.313 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286560491 FKBVYFVKCYFFML-NQIIRXRSSA-N 441.580 1.475 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286709662 ASMIVNLHSGHSAW-MSOLQXFVSA-N 445.568 1.404 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCCOC1 1286783868 OIBWTKHUJCBKRZ-MRXNPFEDSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCN(CC)C(=O)C1 1286787499 VJTHTSAEEAYHSS-UHFFFAOYSA-N 449.515 1.961 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1286822257 BQWZPLFKJKDCQJ-LJQANCHMSA-N 445.545 1.804 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286834801 MYLAAAYYZWWPEU-HNNXBMFYSA-N 427.596 1.333 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1287088090 DZAMUTLQZFBSOD-GVDBMIGSSA-N 430.553 1.971 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](F)COC)CCN2C1=O 1295889131 CDOQWRRNSBHJSB-SJORKVTESA-N 441.467 1.274 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1297516834 LSTSVNKEEPWDIE-LJQANCHMSA-N 434.581 1.744 30 10 IDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300391117 GUDLSQQMBWVRHM-UHFFFAOYSA-N 438.532 1.941 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(OC)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1300485426 WDZTXRJPUDHIHR-HNNXBMFYSA-N 440.472 1.872 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300490890 CQBILKANKFOVEQ-LZLYRXPVSA-N 432.550 1.120 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(N)=O)cc1 1300527136 BYOKSWPZFUFXLS-UHFFFAOYSA-N 431.456 1.618 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O 1300605855 ASIGZYDUJJBKAC-UHFFFAOYSA-N 439.541 1.864 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1300631452 QJMWMKWMMZLEMZ-QGZVFWFLSA-N 439.488 1.397 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300769145 AEQFSRHQQMVANL-GASCZTMLSA-N 435.575 1.486 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300769270 DEOUPWWKHZKMLM-FQEVSTJZSA-N 444.586 1.495 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300981357 YUJUEQFUSXTDGA-UHFFFAOYSA-N 442.564 1.757 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1303003202 DEQGNTPNBCADQH-ZJUUUORDSA-N 427.412 1.482 30 10 IDEE N#CCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 1307155246 NVXQWSSSZUSTFX-UHFFFAOYSA-N 435.506 1.722 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CN(C)C1=O 1316101605 KZIDKEKAMIOHLH-OAQYLSRUSA-N 432.475 1.992 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCc1ccco1 1316282246 NXHJMIRGUKKDQR-LPHOPBHVSA-N 428.493 1.651 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCO2 1326468050 UWFYSTXAZLNGHR-KRWDZBQOSA-N 440.500 1.759 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccn(CCn3cccn3)n2)cc1 1357543539 LKHFZCBFEAVZAA-LYBHJNIJSA-N 441.517 1.845 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1358890127 LMIQSEAYAATFEM-WFASDCNBSA-N 438.579 1.191 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1358961243 VADJWHKIIAATSS-MRXNPFEDSA-N 445.574 1.373 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2CN(CC)CC)CC1 1359035592 YIMFFLLFTSBMIN-QFIPXVFZSA-N 449.603 1.875 30 10 IDEE N#Cc1c(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)nc2n1CCOC2 1440045816 OCGDTHLXMQBOSC-UHFFFAOYSA-N 429.234 1.396 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCc2nnnn2CC1 1451692387 LDYXSCZTSXHYEQ-VQIMIIECSA-N 437.504 1.900 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1468648387 ZYHKMJANAUGONE-OAQYLSRUSA-N 431.493 1.460 30 10 IDEE N#Cc1cn(CC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c(=O)nc1O 1472192895 YKPSTBWDKVBQLF-SFHVURJKSA-N 433.262 1.093 30 10 IDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c(C#N)cc1N(C)C 1476702466 BBWHZBYSZJMSBE-UHFFFAOYSA-N 442.567 1.055 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1495818182 HFMFOZVTEFULQV-QGZVFWFLSA-N 445.593 1.535 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1499162935 YWZNBWSVNASZHH-MRXNPFEDSA-N 429.550 1.259 30 10 IDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCC1 1505324149 AEVFBSMDSYOXQC-UHFFFAOYSA-N 427.553 1.933 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2COCCO2)c1 1507548669 CCJGCBLILUOCGL-SFHVURJKSA-N 433.472 1.207 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 1507588035 DYJLQRXNYVARQR-HNNXBMFYSA-N 447.483 1.723 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1507703333 UAKACVJQHJOMEP-UHFFFAOYSA-N 438.576 1.602 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507749890 AQMNSCBZWYBXAJ-DLBZAZTESA-N 445.593 1.413 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CCC(F)(F)F)CC1CC1 1508073326 VLQSSPURBIMBQW-UHFFFAOYSA-N 428.459 1.985 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)c1C#N 1511661107 CNJZPDRVWJGJPL-UHFFFAOYSA-N 445.531 1.828 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCN2CCCCC2)c1 1521074962 FBCSMGGLMLPJNL-UHFFFAOYSA-N 437.548 1.773 30 10 IDEE CN(CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1)C1=NS(=O)(=O)c2ccccc21 1535297727 VZQXWCUSJCHABG-UHFFFAOYSA-N 438.509 1.761 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1538964339 WVORHYSDCUZQFI-HNNXBMFYSA-N 433.534 1.357 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1539207182 ZRIRWLPSMYJKCX-WMZOPIPTSA-N 431.562 1.531 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539213171 WQFNCXUVQXAPHA-MRXNPFEDSA-N 445.545 1.519 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1539238253 UGRQSYMNVIHNCB-DEOSSOPVSA-N 441.576 1.648 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1539311442 MMQFMHLEOIJUGF-UHFFFAOYSA-N 436.541 1.637 30 10 IDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1540019775 MTUCRSPGDQYNDA-QGZVFWFLSA-N 436.538 1.736 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)CCO1 1541073675 BXUDHCJMCSNDQN-HXUWFJFHSA-N 425.537 1.498 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCOCC1 1541280523 GNYCGMZXNAXFAL-UHFFFAOYSA-N 440.548 1.957 30 10 IDEE CC(C)N1CCN(CCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 1544462346 BPZHZEJINLQETM-BSYVCWPDSA-N 435.594 1.854 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1546315995 ACCZDWXEQNITSA-XMSQKQJNSA-N 427.505 1.954 30 10 IDEE CCC[C@@](C)(O)Cn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1546853174 GQWIQXACFJQSCW-OAQYLSRUSA-N 430.557 1.606 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547703854 KFUWXWXNNVCVNW-APWZRJJASA-N 444.609 1.389 30 10 IDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1556132573 ONRCTEGOJYOBGI-DZGCQCFKSA-N 448.524 1.934 30 10 IDEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2 1556538769 GPZFUVWSCKZPRN-JKSUJKDBSA-N 441.919 1.736 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC(=O)N(CCC)C1 1557081487 FRVJODUKZJVQAR-RDJZCZTQSA-N 434.562 1.659 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1559899429 HKBOVEZBQYFNCT-QGZVFWFLSA-N 434.562 1.200 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 1559945914 GOCFEXDORHUMAW-XPNTWCBSSA-N 444.551 1.834 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)s1 1565691167 XMCQIYSRVZDTRD-UHFFFAOYSA-N 449.620 1.027 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2ncc(-c3cccc(OC)c3)[nH]2)C1=O 1587502969 QJJYMSWTXHKEOM-KRWDZBQOSA-N 437.456 1.726 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1588050265 QCAFQHWQZMGZLS-QGZVFWFLSA-N 425.518 1.241 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1588053980 JKCUPBHOXPWSKJ-WOJBJXKFSA-N 444.557 1.687 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1588645818 CJHPOTBBIKKMMR-IPMKNSEASA-N 437.610 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNC(C)=O)CC1 1588742521 RXSBRXVUQWDGAK-QGZVFWFLSA-N 428.512 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)C2CCCCC2)CC1 1588750916 HCFZYLFLCCAWCB-XMMPIXPASA-N 444.624 1.950 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2CCN(CC)CC2)CC1 1588923906 PRKWFAVJFKICHF-UHFFFAOYSA-N 427.597 1.149 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21)C1CC1 1595020817 OSTHJYGPYJEOSG-YCRPNKLZSA-N 431.562 1.877 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC(C)CC2)C1 1595721344 FBMMEDRFDGEACV-RBUKOAKNSA-N 437.610 1.693 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1595884062 GSIHOYQJMCWOEB-YJBOKZPZSA-N 428.580 1.095 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1611307777 GTTZJPCGZDVTKF-WBMJQRKESA-N 431.447 1.874 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1611634169 VFIWNOPLMLARJZ-YOEHRIQHSA-N 444.561 1.601 30 10 IDEE CCOC(=O)C1CCN(C(=O)CN(C)CC#CCN2C(=O)c3ccccc3C2=O)CC1 1615387973 UOMHFLYNDATTKS-UHFFFAOYSA-N 425.485 1.020 30 10 IDEE CC[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1617431302 CNVWBJHERWONID-ZQHDKMAOSA-N 429.550 1.144 30 10 IDEE CN1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1(C)C 1618487751 FHBADIYYRKNGLE-IBGZPJMESA-N 436.564 1.154 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1620054654 MUVLXECMKMJGPC-RBUKOAKNSA-N 438.532 1.973 30 10 IDEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)CCO2)c1 1620349213 HOKLOLAYFCQKKR-RTBURBONSA-N 440.504 1.078 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC(C)(c3nnc(C4CCOCC4)o3)C2)CC1 1620437590 IUBSKZHDOICZQD-SFHVURJKSA-N 430.553 1.229 30 10 IDEE CC1(c2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)s2)OCCO1 1624061681 BYBORCMOKIUMKL-UHFFFAOYSA-N 448.526 1.381 30 10 IDEE N#Cc1c(CCCNC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)nn(-c2ccccc2)c1N 1624278590 WPIGZTSHDRUVME-CABCVRRESA-N 434.422 1.690 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)s1 1626782242 QVIZCJNXJPCVNK-OAHLLOKOSA-N 440.591 1.359 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(N4CCNC4=O)CC3)C2)C1 1630696364 YNEZREKQLASSCF-BXFSZVDSSA-N 431.537 1.789 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1632250172 PYZDQWJVCRTMNT-ZOKDDAQRSA-N 440.610 1.827 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)s1 1632290103 GMIGZGHYRQLQHF-AWEZNQCLSA-N 426.541 1.400 30 10 IDEE CN(CC(=O)NCCC1=CCCCC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1639164880 BMFQOOXMEVMPTP-UHFFFAOYSA-N 432.546 1.580 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 1640327005 TULGHECDLQMYPT-UHFFFAOYSA-N 426.804 1.857 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1COC(=O)N1CCCCC1)c1cc[nH]n1 1640358932 SMXLGBHBFCDRAC-INIZCTEOSA-N 449.508 1.697 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)c1 1642540731 WUPPEWDAOQHORZ-UHFFFAOYSA-N 426.498 1.516 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1643551818 IEAWTDHZKWIEPN-HYBUGGRVSA-N 448.608 1.692 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccccc1)c1ncon1 1644010906 SFHNYPBTOMZDKY-INIZCTEOSA-N 425.470 1.598 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1648587103 ZZMDWGIARKKPCH-JZXOWHBKSA-N 426.922 1.153 30 10 IDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1648849181 GRGQOHUPSVYQKW-YJYMSZOUSA-N 443.481 1.057 30 10 IDEE C=CCCC[C@@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OC 1652012624 CWTWGJLRZHPTGS-LJQANCHMSA-N 437.562 1.461 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1 1654841502 XBZXYSQHCKJJTI-GOSISDBHSA-N 449.573 1.272 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)CC1 1676200656 XPIMHQZNOUAIQA-LJQANCHMSA-N 447.605 1.213 30 10 IDEE C#CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1685153129 LYKKDSRHCLHMKH-BRWVUGGUSA-N 427.567 1.711 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1689866487 DCKPXNOIQZJQRS-TWMKSMIVSA-N 445.486 1.723 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689973772 PJJZBJXVZOBXCZ-GOSISDBHSA-N 431.562 1.825 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689988881 XWVMAAPBEYBILK-MJGOQNOKSA-N 445.593 1.037 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2c[nH]nc2C)CC1 1690135452 XUGCVGPICQDFKI-PMACEKPBSA-N 427.553 1.422 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690236017 HHWRPGXLNVPAOC-MSOLQXFVSA-N 432.569 1.556 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690676349 XHUMOMPNDLNUOO-SFHVURJKSA-N 439.495 1.475 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)n1 1693199947 GLDXVZLJTYWLSS-RTBURBONSA-N 425.537 1.734 30 10 IDEE CCOCc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1696290524 SBWSPZYGAWLBSZ-KRWDZBQOSA-N 427.465 1.094 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1696838964 KCPAEHCBWNAIND-NQIIRXRSSA-N 445.545 1.636 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1696844889 USBXSMPPLORCRP-MRXNPFEDSA-N 434.447 1.725 30 10 IDEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCN(C)C2)cc(OC)c1OC 1697243835 DYZQLOOHRJMHIC-OYHNWAKOSA-N 444.536 1.776 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@](C)(O)C(C)C 1698256077 WZNYGCZWARGDII-JLEJFLCFSA-N 432.569 1.586 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C(C)=O)CC1 1705489124 KEEUOTOQVSSQOF-LJQANCHMSA-N 446.559 1.753 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2COCCO2)n1 1705631778 PTXFXFXEQWTCQI-RTBURBONSA-N 430.509 1.028 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(CC)n2)CC1 1705639365 MNWSGAHWWXJZLK-INIZCTEOSA-N 448.618 1.197 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1705642015 CNUGLCSQRKJIFE-QGZVFWFLSA-N 445.568 1.069 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCC)CC1 1705643630 NAUBAAWSMFWUFK-JOCHJYFZSA-N 430.553 1.031 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1705699675 KEPQBFGWAHWSNK-QRFRQXIXSA-N 433.553 1.972 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1705901489 NAVMEAACDJELES-QGZVFWFLSA-N 439.520 1.283 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 1705911263 CYMCXOWULYXCBS-SFHVURJKSA-N 440.529 1.972 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1705946639 NEADFJRDSOOVQQ-KRWDZBQOSA-N 425.624 1.631 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1706956214 VSSHBAYSUAIOCM-ZMMDAZFZSA-N 432.550 1.988 30 10 IDEE CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1709577718 VTEYICITPFBDDB-GOSISDBHSA-N 443.577 1.964 30 10 IDEE CCOCc1nnc(N2CCS[C@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710754406 HJSCNTDCFKHVJB-RUNIHZNKSA-N 434.566 1.919 30 10 IDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1710876139 QDALYDLTIQXBCB-UHFFFAOYSA-N 434.522 1.571 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NC 1722276758 JHTINUXJNYPTDA-OAHLLOKOSA-N 446.577 1.426 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722363619 ASHUBIWZWUKLBQ-WOJBJXKFSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1CCS(=O)(=O)CC1 1722387080 FXBOMMXJXLAVTC-UHFFFAOYSA-N 433.578 1.484 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(C)c2)CC1 1722435873 WHQVUGCFXKNHGI-UHFFFAOYSA-N 429.528 1.834 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722618714 VAAHFLQLEOKHFR-QAPCUYQASA-N 428.580 1.161 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722680054 VGJZIHRBVLQFGB-IEBWSBKVSA-N 438.532 1.921 30 10 IDEE C=CCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1722690639 KSCWYAWJUUOHKL-OAQYLSRUSA-N 445.524 1.173 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2C[C@H]1CO2 1722729101 FJVDUJWWNRKWNW-ROUUACIJSA-N 432.546 1.846 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1723075474 UGIYBLUBZAJVBX-QHCPKHFHSA-N 435.532 1.838 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2F)CC1 1740592310 VEYLDBUFCQZOAK-MRXNPFEDSA-N 432.525 1.454 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCN1CCCS1(=O)=O 1740605489 DFPMENVTOXWDEK-UHFFFAOYSA-N 438.351 1.813 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1740611097 UFGZGGPZGOFZBV-LJQANCHMSA-N 442.545 1.404 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1740692355 UYOBXTLKDXAZSB-QFIPXVFZSA-N 433.560 1.419 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([S@](C)=O)CC2)CC1 1740697417 DGMJKPFSRBUYTF-HKBQPEDESA-N 443.573 1.629 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2snnc2C)CC1 1740707288 WZLQDTIISOMSON-UHFFFAOYSA-N 436.545 1.438 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1740773219 WOSOPIBTJNKUGT-UHFFFAOYSA-N 430.534 1.639 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCCC)CC1 1740826202 ZHFQFTDLMHGWTR-QGZVFWFLSA-N 427.571 1.584 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1740887252 FTIWAKZRSSTBBS-MSOLQXFVSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1740959479 WWLRIHOMFJGCQD-OAHLLOKOSA-N 437.504 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(OC)C1 1740986010 PLZVGDZOOSWJAQ-HXUWFJFHSA-N 448.549 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740992406 PFKIBGJBBQOVQC-FUHWJXTLSA-N 434.566 1.848 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1741131767 HMDRGELFOXFLRR-JKSUJKDBSA-N 436.582 1.567 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1741801197 YIESXNNSBYHJMZ-NUJGCVRESA-N 444.565 1.678 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1748732323 YLSGEBGIGMNNGM-SCTDSRPQSA-N 434.610 1.755 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1748808928 JBCOKNMIKHHAFU-XUVXKRRUSA-N 444.557 1.623 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1748811730 KJYWXLGXROMSDU-DLBZAZTESA-N 434.591 1.591 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)CC 1748940018 BZBXWRBKYGNHMG-UHFFFAOYSA-N 426.496 1.771 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCn1cc(Br)cn1 1748958696 GHTSKQBCGIGNHB-UHFFFAOYSA-N 445.325 1.870 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749126589 FADJXDSXGNSDFC-BJLQDIEVSA-N 438.532 1.946 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1749663840 RWQZXUJUJHRKIU-HNNXBMFYSA-N 439.549 1.377 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749670334 PYPXUUBQLXBVEG-MSOLQXFVSA-N 429.525 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749738838 YTBMRBYJQNAGDG-LJQANCHMSA-N 445.589 1.627 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1760099967 OSPCMDNWRYJPER-UTKZUKDTSA-N 432.546 1.862 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760182632 HLLDDSPRSJBIQE-INIZCTEOSA-N 447.561 1.778 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760198122 XXKYCZWBQZLEJY-LSDHQDQOSA-N 425.452 1.416 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC(O)CC1 1760205338 YLJZUJYSRWRIPD-UHFFFAOYSA-N 431.544 1.436 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CC(OCC)C2)CC1 1760264382 LDLNHKQLXYSCRG-UHFFFAOYSA-N 439.560 1.851 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1760433901 WYBOSOAEYOIMRD-MRXNPFEDSA-N 434.566 1.887 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760522689 AXUPDKZKHVNBFA-GSHUGGBRSA-N 426.521 1.723 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CN(C)C2=O)C1 1760550306 WGDPXPWFRNTSQG-YCRPNKLZSA-N 444.561 1.529 30 10 IDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CC2)C1 1766945995 FTXNQQQZGRKGQX-GOSISDBHSA-N 444.561 1.856 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCOC1 1768216269 GWXDBKQGOVUCAL-PXNSSMCTSA-N 431.518 1.246 30 10 IDEE CN(CCC(F)(F)F)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768831064 OHSFUEHDFXRBNH-HRZQKCLFSA-N 428.415 1.697 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1769699819 BCSPZLSVAYYPAE-LJQANCHMSA-N 426.521 1.784 30 10 IDEE COCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771275594 RMTWOIJPXJPXMV-LJQANCHMSA-N 441.536 1.776 30 10 IDEE N#CCOc1ccccc1C(=O)OCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1851885621 WKDMAFQBXNXVTQ-UHFFFAOYSA-N 447.488 1.891 30 10 IDEE N#Cc1ccccc1OC[C@@H](CS(=O)(=O)c1ccccc1)OCCN1CCOCC1=O 1852537136 CDPIFFFTBUZKIR-IBGZPJMESA-N 444.509 1.655 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)NCCN3CCC(C#N)CC3)CC2=O)CC1 1852807585 MCUVPOQTUASNDG-SFHVURJKSA-N 447.580 1.586 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2=O)cc1 1853879041 YJGFNGOVLLCUCZ-UHFFFAOYSA-N 433.436 1.580 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CCN1CCC#N 1855882131 CIPMTJYXYNSEFT-MRXNPFEDSA-N 436.509 1.342 30 10 IDEE N#Cc1cc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC[C@@H](CF)C4)ccc32)ccn1 1856355813 UNNIEKIFUIULHM-ZDUSSCGKSA-N 428.445 1.663 30 10 IDEE C=CCN=c1nc(N2C[C@H](C)O[C@@H](C)C2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563726 GYWKIFBDKAKLCH-KBPBESRZSA-N 430.509 1.696 30 10 IDEE COc1cc(/C=N/n2c(SCCO)nnc2C2CC2)ccc1OCCN1CCOCC1 1874523390 NVAQTACGWJVYPM-PXLXIMEGSA-N 447.561 1.842 30 10 IDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)C2)c1 1889518439 NTLCLDBYYLQRCQ-HZPDHXFCSA-N 441.513 1.292 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)[C@@H]3CCS(=O)(=O)C3)ccc21 1891898909 ALPAULKQUJODGW-CQSZACIVSA-N 428.532 1.553 30 10 IDEE C#CCn1ncc(NC2(COC)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2134106640 DTUCNXRBFAMEEW-UHFFFAOYSA-N 427.299 1.687 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)C1COC1 2247881365 WQFRELKRHSWXFL-UHFFFAOYSA-N 433.339 1.309 30 10 IDEE C=C(CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247901557 MDMKZEYSWSECQB-CYBMUJFWSA-N 440.293 1.894 30 10 IDEE C=C(CS(=O)(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247904794 QJOKHYPKQNNOLI-HUUCEWRRSA-N 446.375 1.464 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2255623639 PPKPVJNHFJIUIK-CQSZACIVSA-N 434.346 1.801 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255631388 XZZKNRIYTWNSTL-CQSZACIVSA-N 434.346 1.767 30 10 IDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)CN(C)C(=O)OC(C)(C)C 2255818391 KQUKUPCZOLITPF-AWEZNQCLSA-N 436.362 1.952 30 10 IDEE Cn1ncc(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255824246 DJPVNKNEUFDXMR-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255830362 FAAJDYMCJYICMM-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)[C@H]1C[C@H](B2OC(C)(C)C(C)(C)O2)C1 2255846664 KOAOWJZUEMWUBB-DGXTUMSLSA-N 440.346 1.316 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)cn1 2267138296 WZZHTLKOKPQZFO-UHFFFAOYSA-N 446.317 1.682 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)n1 2267544417 UFICABGRJAIOIH-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2272632003 OBPHOJRGZLYZFV-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE COC(=O)c1ccc([C@@H]2C(=C(O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)cc1 2296615731 KYKLMFORRXQFJA-LJQANCHMSA-N 440.500 1.807 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc(O)cc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296943135 XHUSNXCKEGMKPH-SFHVURJKSA-N 428.397 1.731 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 2315523293 NBGRUSVYKGILNC-UONOGXRCSA-N 434.346 1.752 30 10 IDEE O=C(O)[C@H](CCS)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824173 JOOPMJATQWOCRG-HNNXBMFYSA-N 428.532 1.536 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2337191254 XBXJJCAMWOYFOX-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2337198920 PFYTWPGRDTYFEV-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE Cc1ccccc1OC[C@H](O)Cn1c(N/N=C/c2cccnc2)nc2c1c(=O)[nH]c(=O)n2C 33547916 JTVPXXWZJMPXNN-JKHIYUEESA-N 449.471 1.013 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cn1 59883874 PEMDSTXBCZEBNJ-KPSZGOFPSA-N 448.513 1.009 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 106125912 PTFLWZOLKKTSGF-LJQANCHMSA-N 439.541 1.703 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCO1 409502849 PGZIVNQEZHJBSI-IAGOWNOFSA-N 444.517 1.311 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 508854991 FPZNITCLEFZUAW-CYBMUJFWSA-N 434.478 1.484 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 508998868 FMZNWWMQAZIIAW-VQTJNVASSA-N 438.532 1.480 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C1CCN(c2oc(C)nc2C#N)CC1 530287949 MULNRHORSHXFDR-NCOADZHNSA-N 430.461 1.023 30 10 IDEE CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541102033 SXXITGLNESMZLH-UHFFFAOYSA-N 443.895 1.600 30 10 IDEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 555331489 UKUVYSHXMUCUBJ-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CN1C(=O)C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 576913069 FUNCPAPYLLGYCV-YLJYHZDGSA-N 446.916 1.578 30 10 IDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 579516578 RPDYOGLVHZZSHV-GOSISDBHSA-N 436.852 1.987 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccccc1C 603990997 OSFNSEVAZOJOMM-UHFFFAOYSA-N 445.500 1.741 30 10 IDEE Cn1cc([C@@H]2CN(C(=O)c3ccc(C#N)nc3)CCN2C(=O)c2ccc(C#N)nc2)cn1 612375338 PFEZOXNQNVHGSX-FQEVSTJZSA-N 426.440 1.293 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670227982 FRDXCKZZYSICSP-UHFFFAOYSA-N 449.519 1.935 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)n1 682876550 ZVUYDYOMRUCQMH-KRWDZBQOSA-N 439.537 1.755 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncccc2C)cn1 730144168 HTEQYFHBNWHTOF-GOSISDBHSA-N 443.577 1.806 30 10 IDEE CS(=O)(=O)CCN1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 732106896 OESFRPHSVOPVCS-UHFFFAOYSA-N 428.514 1.984 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1OC 750077183 RUOKHEOOTPIUET-UHFFFAOYSA-N 443.504 1.834 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c[nH]c2ccc(Br)cc2c1=O 753821345 YWPKCKPRZBQLMZ-OBGWFSINSA-N 431.246 1.547 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 756910843 CQCOLVDVCCCBAY-UHFFFAOYSA-N 434.518 1.306 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OCC)n2)c1=O 758051720 XECZHXYSPBGRSV-UHFFFAOYSA-N 445.500 1.731 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)[C@H](C#N)C1 758445916 QJNIVTGGONHSRK-TZMCWYRMSA-N 447.458 1.988 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=CC3CN(C(=O)OC(C)(C)C)C3)nc2)CC1 758886042 OALCMNNAELBPAW-UHFFFAOYSA-N 438.554 1.282 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1 760387784 HFFIUBPRMCCDBD-UHFFFAOYSA-N 443.566 1.244 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 767637626 OVDKPYLDXUHHLB-GXTWGEPZSA-N 447.435 1.569 30 10 IDEE CS(=O)(=O)CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccccc2)c1=O 781662857 GBDFHJDPYHZUQI-UHFFFAOYSA-N 430.551 1.217 30 10 IDEE C=CC[C@]1(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 790299097 IQGCJHDTUDRLIT-FOIQADDNSA-N 443.566 1.094 30 10 IDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802612646 LRRPKCKJWLQHGV-MRXNPFEDSA-N 440.431 1.463 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 805785899 KUJWQACCNCIGHQ-WMZOPIPTSA-N 442.541 1.856 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 807444715 IUIHEWPEGFLYDA-QGZVFWFLSA-N 431.493 1.448 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)COc1ccc(C#N)cc1 921191724 DYWKHQINHDXPEE-GOSISDBHSA-N 432.521 1.309 30 10 IDEE N#Cc1cn(CC(=O)N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c(=O)nc1O 1137712846 BDWKJSJYIIVMTF-DEOSSOPVSA-N 430.464 1.683 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccccc1)C1(CO)CC=CC1 1144492725 MURNYOSOTXINFN-FQEVSTJZSA-N 425.510 1.911 30 10 IDEE N#CC1CCC(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CC1 1167996896 UNRJOVBQXTVBGL-UHFFFAOYSA-N 433.578 1.554 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c3cccnc3)n[nH]2)c1C 1171206882 GUODMYQCDRDFIR-PMACEKPBSA-N 438.488 1.866 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1)C1CCOCC1 1231333660 ZFKYKKNXEXSSCW-PKOBYXMFSA-N 433.549 1.779 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286390194 YLJSZHUWUYTUIW-ROUUACIJSA-N 429.546 1.702 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1286393193 PHXBZUSROHBNMR-IBGZPJMESA-N 442.589 1.375 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1286411107 YXBCGZLCGKKQMG-GOSISDBHSA-N 439.520 1.441 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C)C1=O 1286418160 AHJOWZXXOUUQDV-IBGZPJMESA-N 429.322 1.977 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1286481402 VFWNWBQTHIFNFU-HBMCJLEFSA-N 444.624 1.815 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCC[C@H](C)C2)CC1 1286491209 ISSLOJCYTRLRRU-FQEVSTJZSA-N 449.603 1.962 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1286783734 KGSKCKWFBJBKMI-MRXNPFEDSA-N 443.504 1.654 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O 1288505759 CLYTUABHAVEPFX-AWEZNQCLSA-N 439.563 1.522 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2ccc(OCC#N)cc2)C1=O 1292738128 XPXFAZNLDQICLJ-GOSISDBHSA-N 430.505 1.968 30 10 IDEE CC/C=C/Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1293668580 VAQQECWXJIYPCA-SQRWCISFSA-N 444.565 1.448 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(=O)NC)CC1 1300408605 BHCOSAPMWZASJC-UHFFFAOYSA-N 437.552 1.327 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1300411737 WKTZLGJEOCZXNB-SJORKVTESA-N 430.530 1.870 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC[C@H]1C 1300505658 DUTCVLYKEHFFGH-HXUWFJFHSA-N 434.544 1.941 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1300618433 FLOGOQMBQUESLN-UHFFFAOYSA-N 449.559 1.762 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1300672337 YXJNUGXSDYFEGZ-KRWDZBQOSA-N 439.582 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)CC)CC1 1300712602 UTHOXPBKXPJVKB-OAHLLOKOSA-N 438.598 1.290 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301491308 OVYPQHPMLLCDMO-UHFFFAOYSA-N 441.433 1.665 30 10 IDEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304270942 KRBZCRFAFGYFEJ-RIFZZMRRSA-N 436.509 1.046 30 10 IDEE COc1ccc(C(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)c1OC 1304273563 YPICPAZVXPAMHR-RNODOKPDSA-N 436.486 1.072 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2n[nH]cc2N)C1 1305383579 BJGBVXVPAVFXPU-CJNGLKHVSA-N 430.534 1.461 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN([C@@H](C(=O)OC)c3ccc(C#N)cc3)CC2)cc1 1308043544 KWVALIXEYYALOJ-HXUWFJFHSA-N 428.514 1.503 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CS(C)(=O)=O)C2)n(-c2ccc(F)cc2)c1C 1308116472 FPSOHDBIAWSQEX-SFHVURJKSA-N 448.520 1.789 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)c(C)cc2C)CC1 1310579347 JPOUYXBTHAFQQY-UHFFFAOYSA-N 429.340 1.683 30 10 IDEE CCN(CC)C(=O)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1 1313634185 HEBXITNOSQXXMV-HXUWFJFHSA-N 448.531 1.938 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1316064327 AIRDYSWAYWPHFL-QHCPKHFHSA-N 437.548 1.501 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358964905 JVJZGIRLGSILPT-NLWGTHIKSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1358965207 PZTQYDPTNRRJMB-SFHVURJKSA-N 429.546 1.196 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1358985065 OBKNTNQSWZWQCN-GOSISDBHSA-N 442.589 1.660 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1359068997 WXGHLGHWXYLPQB-LJQANCHMSA-N 447.590 1.106 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCOC1 1359090793 GJVBIEJKDXFSGL-FJIDUMEYSA-N 441.598 1.732 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCOC1 1359090796 GJVBIEJKDXFSGL-XDNAFOTISA-N 441.598 1.732 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 1359099238 LJNADYHHBLWDKC-VQHPVUNQSA-N 438.550 1.161 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359103274 MDRMJDHAXRBFPP-WIRSXHRWSA-N 433.553 1.622 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359303503 QSQSFXSXSFSJNL-MRXNPFEDSA-N 442.545 1.276 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1359304912 NIRZFBYQLKEWHJ-QGZVFWFLSA-N 441.536 1.675 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1359747559 DPTUNHGQXKXREB-ROUUACIJSA-N 437.504 1.666 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1360038154 BXGHQTMFCCFFKK-KSZLIROESA-N 438.598 1.133 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CS1(=O)=O 1452960198 IEQNEXGTVZPIHH-OKLHXDLCSA-N 425.551 1.855 30 10 IDEE C#CCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1460182129 WSKWSRRITDJRBY-UHFFFAOYSA-N 429.498 1.594 30 10 IDEE CCOC(=O)[C@]1(COC)CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1467378340 FSJOQNFBTAIENN-LJQANCHMSA-N 426.466 1.555 30 10 IDEE CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1471688690 QADBUAFYAOWEMG-BFYDXBDKSA-N 426.473 2.000 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)OC(C)(C)C 1499162278 KHJXTSWNOJJOPY-UHFFFAOYSA-N 426.525 1.958 30 10 IDEE CS(=O)(=O)CCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1505130704 JZGBGAGEDPJBGY-UHFFFAOYSA-N 429.550 1.259 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccccc1F 1507605759 YERUTDJLSVMQLU-JOCHJYFZSA-N 429.496 1.957 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCc1cnn(C)c1 1507611068 JADGCFLMWOGTLE-UHFFFAOYSA-N 426.550 1.674 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631778 UEJKWNUMABJOHJ-PGRDOPGGSA-N 439.541 1.808 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507633070 RLFVAHBXEJYNDO-PKOBYXMFSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507647624 FHOAYUPWMHGWHK-NRFANRHFSA-N 427.512 1.423 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507659261 PRQDMPZILICPHD-TUFLPTIASA-N 429.565 1.574 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1507671355 JNOPMYUBXSAFKN-MRXNPFEDSA-N 447.948 1.771 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@@H]1C 1507707794 DBKVGUIMWFMZMP-ZHRRBRCNSA-N 428.489 1.342 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NCC(F)F)CC1 1507721226 LZAOMQATFUVKSZ-UHFFFAOYSA-N 448.474 1.099 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)CC1 1507729557 IERVSZIMLDNILR-IBGZPJMESA-N 449.621 1.675 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)CC1 1507731314 FOQQDTUWLNTRDS-RBUKOAKNSA-N 435.594 1.285 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507758593 PXPVLDUPQNZQJP-UWJYYQICSA-N 433.578 1.496 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508036992 SPSRZMIQYQGFDU-XLIONFOSSA-N 436.534 1.507 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1508042164 WLTGUYSXTRDPNE-NQIIRXRSSA-N 437.610 1.976 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)C1 1508126283 RFZDDDDEFHCCSZ-QZTJIDSGSA-N 445.545 1.109 30 10 IDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1508163125 TXJGKANBMPDLNW-KRWDZBQOSA-N 441.561 1.656 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1508168488 WDGHRZGOUDYTCS-HNNXBMFYSA-N 433.538 1.589 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1516968015 FJLRXVIYLWCXNU-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1536900900 ITNDNANRZKUNOF-WMZOPIPTSA-N 444.557 1.863 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)Cc1ccccc1 1538962887 PZFVZRLFAPBNSQ-GOSISDBHSA-N 443.573 1.977 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1539006430 YKKCXZJTFSDBJN-KGLIPLIRSA-N 426.502 1.487 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1539089844 UCZZSOVKXZIBTK-UHFFFAOYSA-N 426.496 1.931 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539203986 XDBPYSWSNYALJV-JKSUJKDBSA-N 433.582 1.813 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1539229486 DWUGDGKRMHSDLM-MSOLQXFVSA-N 448.618 1.520 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)nn2C)CC1 1539481711 NCCBDANWPPWXCH-GOSISDBHSA-N 425.537 1.228 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1540036677 RIYTXTDKZTWHDN-SFHVURJKSA-N 437.610 1.838 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)C1 1540882674 MUELBNGOBODJAC-KRWDZBQOSA-N 443.577 1.756 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccccc2CC1 1540897999 XRQHQMNLEVHYQQ-UHFFFAOYSA-N 443.573 1.720 30 10 IDEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1541272744 PCVLIRJRLAQDIF-YJBOKZPZSA-N 439.520 1.731 30 10 IDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1545236899 IJWVSXIQELEVTD-VXKWHMMOSA-N 440.504 1.921 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554602014 LIVLFWJOBVRYNJ-OWYHZJEWSA-N 429.546 1.959 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1555806319 GVTJFAAPHGMWHQ-IRXDYDNUSA-N 428.518 1.109 30 10 IDEE COc1ccc2nc([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)[nH]c2c1 1556295444 ZDPUEUFKWNOKOT-OLZOCXBDSA-N 427.486 1.987 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1556797763 HPCAJQUDTLIJBB-HNNXBMFYSA-N 427.910 1.244 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)c1 1557187025 RZRAZUJCAQPFIJ-GOSISDBHSA-N 447.532 1.933 30 10 IDEE COc1ccnc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1F 1557537678 FOIXAIAKPOQAQH-AWEZNQCLSA-N 434.493 1.999 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1557798254 AFKSXSPAKHBGQC-JKSUJKDBSA-N 427.542 1.979 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1567168521 CMFCZUVGGQDICB-CQSZACIVSA-N 428.367 1.562 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CCOCC1 1587921953 NKGOBORIWIKJBO-XMMPIXPASA-N 439.560 1.880 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588049140 ASHYMKUBDKJVNV-GOSISDBHSA-N 434.566 1.511 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588065205 VYQXQXPWYGHCMM-GOSISDBHSA-N 447.605 1.683 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588133623 JJYSTVXGLKOEIU-ROUUACIJSA-N 439.482 1.898 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C1CCCCC1 1588139087 LLFGVIQFFNXIEE-IBGZPJMESA-N 431.606 1.908 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc2c1OCO2 1588574805 SPBDECNVYSUQLM-UHFFFAOYSA-N 434.456 1.788 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589070948 ZNBLZWHBWBPSQR-LJQANCHMSA-N 448.637 1.529 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1589150872 NBBOXGLARDNNPY-VWKPWSFCSA-N 431.562 1.982 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1593752851 RKCARAXHJODLBU-LJQANCHMSA-N 425.537 1.897 30 10 IDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NCC)CC1 1593851788 FGMHIYIOEJRWGF-UHFFFAOYSA-N 432.912 1.684 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)C1 1595728957 HWNXEKUGHGYSOM-WMLDXEAASA-N 449.458 1.953 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1596454837 PRHVFRYTUIZKCG-LJQANCHMSA-N 442.493 1.940 30 10 IDEE Cc1cnc(C2(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCOCC2)[nH]1 1597871847 PKLYZTDWASPYNQ-UHFFFAOYSA-N 431.518 1.359 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CC=CCO1 1611665409 XIAVYNSBGNHWGF-MAUKXSAKSA-N 430.534 1.741 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1611796633 VCCQCQUUNRNOIW-UHHPSXQGSA-N 444.536 1.702 30 10 IDEE CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1614319420 ATDBHNBLTZOPNZ-FVGNFYTDSA-N 443.552 1.500 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1616144377 ABPVXMWJYYQJKT-MZKRTTBSSA-N 441.532 1.978 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1618896512 HSXLXGFVXAMSCA-VFNWGFHPSA-N 426.477 1.245 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 1620578423 PVZYIAWXGGUTGX-AUSIDOKSSA-N 449.596 1.391 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1625926586 RESHXVMTNUPBFL-UHFFFAOYSA-N 446.577 1.907 30 10 IDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(C(=O)NO)cc2)c(OC)c1 1626239887 ZMTMYDIQVQYMDU-GOSISDBHSA-N 427.457 1.744 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 1627894505 FCJYVZDIYGNZFL-AWEZNQCLSA-N 448.545 1.835 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 1628324419 DXOMETIZAMZZNB-QGZVFWFLSA-N 442.541 1.175 30 10 IDEE CS(=O)(=O)CC1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1629501111 IRKFRYMFHQDADS-UHFFFAOYSA-N 426.336 1.698 30 10 IDEE N#CC1(CNC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCCC1 1631920686 VMNQILMHHQHXJW-UHFFFAOYSA-N 446.529 1.969 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1632219492 XMUMUJCFRSHZOW-HXUWFJFHSA-N 429.498 1.385 30 10 IDEE N#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1636605370 RMBFTAREQXHCDD-NSHDSACASA-N 439.843 1.760 30 10 IDEE C#CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cn1 1640012584 BOQJVOCAUUUKPD-UHFFFAOYSA-N 428.514 1.436 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1F 1640652248 BBIODYZFXZHETF-OLZOCXBDSA-N 449.460 1.943 30 10 IDEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3c(F)cccc3F)CCOCC2)cc1 1643524326 ZLEXRJVPMTXRPL-UHFFFAOYSA-N 435.452 1.937 30 10 IDEE COc1ccccc1N1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1648693302 XDQGMMUEWICCHM-UHFFFAOYSA-N 428.514 1.584 30 10 IDEE COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1661916361 DUDUDUNRGNVKAY-UHFFFAOYSA-N 443.529 1.611 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 1665507597 WAKDJXTWNVBHHE-FUHWJXTLSA-N 430.567 1.702 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)N1CCOCC1 1673887397 LIDALORLPQIQKD-IKGGRYGDSA-N 437.541 1.318 30 10 IDEE C#CCN(C(=O)NCC1(S(=O)(=O)CC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1682903718 NHBABYHDIGLVTR-UHFFFAOYSA-N 427.567 1.998 30 10 IDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)c1C#N 1687138827 MUHYELMMPMHFNT-KRWDZBQOSA-N 431.543 1.825 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1690015728 WEZPVEKORXBQHU-PXNSSMCTSA-N 432.528 1.879 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1690033297 UUPCFMKVZXTLBN-CNNODRBYSA-N 448.637 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCCCC2)CC1 1690148319 CJLGHZRZWFHKCA-UHFFFAOYSA-N 436.560 1.925 30 10 IDEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690219925 NRTSSNOIHLYCAG-GFCCVEGCSA-N 439.358 1.627 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690299449 RIQYSZJOUGZZMU-UHFFFAOYSA-N 432.569 1.848 30 10 IDEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)C)CC1 1690408638 QSSSFOTZGLNABO-UHFFFAOYSA-N 431.566 1.729 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690441539 AIMZOSXYGFAMOT-FHWLQOOXSA-N 435.569 1.946 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](OC)C1 1690661828 IMTLNFWKBMHKLW-OAHLLOKOSA-N 431.493 1.498 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCS(=O)(=O)CC2)C1 1690684503 HBNJCAOMRLBCHZ-INIZCTEOSA-N 425.555 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1690723015 FDRKJQOZPYHWCI-AWEZNQCLSA-N 444.517 1.420 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690739954 DWOJECUKRXMXDH-UHFFFAOYSA-N 444.609 1.342 30 10 IDEE CC1(C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1692873181 OZUJUHILAPKRFN-FMQUCBEESA-N 437.504 1.406 30 10 IDEE Cc1nc(CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)n[nH]1 1693364673 DWGSUGAVFNEFHT-OAHLLOKOSA-N 435.540 1.860 30 10 IDEE CCCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1695180726 OUWJMDUTLHFAOY-SFHVURJKSA-N 428.541 1.889 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1695500211 ZVBNDEFIMFUYIJ-MRXNPFEDSA-N 428.928 1.648 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1698306292 CUPQYAPPKYHXMK-IKGGRYGDSA-N 428.518 1.017 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1705480321 TYJHNCVOSPNXCU-DYESRHJHSA-N 447.561 1.367 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1705497472 BFOGAECSQLCFQN-IRXDYDNUSA-N 426.546 1.799 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1705571193 WOGLXMBYVUIFCY-SFHVURJKSA-N 432.546 1.541 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1705572469 CINIXLHVKFSLBS-UHFFFAOYSA-N 435.488 1.477 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(SC)cc1 1705573954 RAKMCWFOPHWGTE-INIZCTEOSA-N 431.587 1.926 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC1 1705648156 PCCTZXINPZGUGD-SFHVURJKSA-N 447.605 1.726 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1705699716 KVOWHBPQPUOWDL-AABGKKOBSA-N 447.580 1.742 30 10 IDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)c1ccccc1 1705742673 BWKLVEREHVITLX-LPHOPBHVSA-N 444.561 1.920 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)CC1 1705782292 TWQQKLUCUPVRHE-INIZCTEOSA-N 433.582 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705900806 PXEOGFBXCVXMDA-UHFFFAOYSA-N 443.533 1.021 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCNC(=O)[C@H]1CC 1705935068 GGPYQTDMVIHEMN-GOSISDBHSA-N 431.562 1.493 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1706200299 WYOHJWKBQBYCPO-JOCHJYFZSA-N 440.504 1.921 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)CCOC1 1706678345 DRPIYUMYOHOKJV-NNMXDRDESA-N 449.552 1.633 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCn2ccnc2C1 1706864977 SZDIIHRJEIVMSJ-GOEBONIOSA-N 432.554 1.087 30 10 IDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1710721537 FQMNQXDRQKSCJD-HSZRJFAPSA-N 437.548 1.881 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367622 NABCLLGDLONHAV-QUCCMNQESA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722367907 OYWUJEUEWJDWHH-IRXDYDNUSA-N 433.534 1.452 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCCCS(C)(=O)=O)CC1 1722445913 FGABQIMWCUQATC-UHFFFAOYSA-N 446.577 1.454 30 10 IDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1722664801 AMNRYIHNQJGZKF-WOJBJXKFSA-N 440.566 1.047 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1(c2ccccc2)CC1 1722698605 IMFZFSPRUKNRED-QGZVFWFLSA-N 443.573 1.650 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722705967 KPXYWZRYVLAUAR-OAQYLSRUSA-N 428.468 1.157 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1722706621 VKFBUKXEGAFNJN-KRWDZBQOSA-N 432.569 1.592 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1723619715 BCAFPTSNGPIOMY-IBGZPJMESA-N 434.504 1.438 30 10 IDEE CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1729688066 CFUUYAOBBIZMMB-HNENSFHCSA-N 443.552 1.455 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1740551718 VBPFOGFCPVSVSD-CQSZACIVSA-N 435.488 1.334 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1740671408 GPBAYWNWVLOSEI-GOSISDBHSA-N 429.546 1.872 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCc2cn[nH]c2)CC1 1740703692 BEYRUJQBSDQYKA-UHFFFAOYSA-N 433.516 1.885 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCC(=O)NC 1740757577 PQHOJYANOOUICS-MGPUTAFESA-N 444.536 1.949 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740885177 AGOVYAYRFGYTLO-SFHVURJKSA-N 445.593 1.909 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740989696 VOHQMJKVJQMEGZ-QZTJIDSGSA-N 433.534 1.325 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CCO1 1741104672 NECVQIHEQATRIY-QGZVFWFLSA-N 434.447 1.787 30 10 IDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1741256387 DLXBUBSRGWNODP-UHFFFAOYSA-N 437.548 1.332 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1741306549 VAUFPRFXFIZBHF-HTAPYJJXSA-N 438.536 1.229 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC)c2ccccc2c1=O 1745752158 KVWWIJCXJOQXIZ-MRXNPFEDSA-N 437.504 1.830 30 10 IDEE CN(C)C(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 1747538844 BPLNCNQZAXWTNF-LBPRGKRZSA-N 437.273 1.664 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCNS(C)(=O)=O 1747730198 DTJOPDXDMKBCFW-UHFFFAOYSA-N 428.522 1.126 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1748670879 DFGSIVGPCSSISO-WMLDXEAASA-N 437.591 1.741 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1748808803 NVHAXMSERRBXRL-FQEVSTJZSA-N 437.525 1.790 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1748811440 GZCQCMWBUHHPOC-ROUUACIJSA-N 432.594 1.641 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748817745 PQWXERUVIDNNJP-UXHICEINSA-N 449.621 1.531 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CCOCC2)CC1 1749000872 CCXCQYGSVWHRSN-UHFFFAOYSA-N 442.564 1.297 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC=C(C)C)CC1 1749005028 QXPPAENFLXNTRD-MRXNPFEDSA-N 436.582 1.210 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCC(=O)NC2CC2)CC1 1749010733 WDQLAYWGCMNQKD-LJQANCHMSA-N 442.564 1.544 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(C(N)=O)CCOCC1 1749051976 TVIDXLPRARTTSN-OAQYLSRUSA-N 430.553 1.471 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749428042 XNNFNUPRAIFJEM-OALUTQOASA-N 448.593 1.865 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 1749428149 ZUEQJKAPWHDSCZ-OAGGEKHMSA-N 429.612 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)F)CC1 1749660938 WOIGEUYTKPCIKD-UHFFFAOYSA-N 434.447 1.363 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(=O)OC)C1 1749663866 SHTNYLGSAXMCEF-INIZCTEOSA-N 435.488 1.432 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1749731846 MFGAJACYYCOFHB-XHSDSOJGSA-N 441.623 1.940 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749772051 DDSMHMJPFUOIGI-RTWAWAEBSA-N 440.548 1.779 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1C 1749873411 FSVCOLCJPKFRSG-VGSWGCGISA-N 442.589 1.842 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1751038622 NKQHBJLHZYKXKF-IGGDJGDASA-N 430.509 1.312 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)c1 1751399839 CDLDORWQTRKKLX-FCHUYYIVSA-N 428.512 1.983 30 10 IDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760176507 NMCOJLBGNYICJE-GOSISDBHSA-N 431.562 1.565 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760182152 HGAORASULZYNOW-KRWDZBQOSA-N 437.610 1.313 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1CCCO 1760196335 RXTFLXZPDRQAMF-QGZVFWFLSA-N 445.365 1.955 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1760249538 NKOQPDYUNCGFJP-KRWDZBQOSA-N 441.598 1.523 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1760336575 CIFKJJNYLSTKLQ-INIZCTEOSA-N 427.571 1.319 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760360180 UECDYODRQOMTLG-GCJKJVERSA-N 433.553 1.768 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760441161 ZIESSTGLZMNPRK-KRWDZBQOSA-N 438.598 1.730 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1760495103 FGSBCQARAGKJFM-ZWKOTPCHSA-N 438.598 1.274 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)C)C1 1760554948 RSCCMZCPNOYVDM-CVEARBPZSA-N 430.596 1.263 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](COC(C)C)C1 1760559893 VCSYACIJAIJMPZ-DLBZAZTESA-N 428.555 1.361 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760696788 UHXXOZHITAMIFS-XMTFNYHQSA-N 436.582 1.582 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)CCOC1 1761291656 MRDSSJXMPLTUFR-DENIHFKCSA-N 449.552 1.633 30 10 IDEE CC1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1763015504 ASIYCHMAGRRPEV-SJORKVTESA-N 425.603 1.749 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnnn1CC1CC1 1768588015 IGKPPNWTMZPMJP-UHFFFAOYSA-N 448.535 1.612 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCCCC2)CCO1 1770747970 UZTHSXYJVILVDY-SFHVURJKSA-N 439.476 1.985 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccccc2F)CCO1 1771536910 DRCNFEKGYMKNQS-QAPCUYQASA-N 428.468 1.818 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1772849839 PYMYJZMVHKOGKJ-QLVMHMETSA-N 426.525 1.667 30 10 IDEE CC(C)(C)[C@H](C(=O)Nc1ncc(Br)cc1C#N)N1CCS(=O)(=O)CC1 1851190182 LBDTUEPWVJGLJG-ZDUSSCGKSA-N 429.340 1.799 30 10 IDEE C[C@@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854037001 HSVDQZOUOFVGBG-CQSZACIVSA-N 431.445 1.524 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2=O)cc1 1854234735 SMHCYKJOIRYOEK-UHFFFAOYSA-N 433.436 1.829 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)cc1 1865730274 ZZJJEJDGKXUDPX-HNNXBMFYSA-N 442.903 1.633 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 1867797413 ZYJOUUSADQOFMP-IAGOWNOFSA-N 425.445 1.441 30 10 IDEE O=C([C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCOCC1 1869927925 IGLKGBIDBZTFST-GOSISDBHSA-N 445.566 1.886 30 10 IDEE CC(=O)c1sc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)nc1C 1870102951 DUZMFUXWSPNIGM-UHFFFAOYSA-N 448.468 1.514 30 10 IDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(OC)c(OC)c1 1871260587 PKEGZDWZEVRXNM-UHFFFAOYSA-N 431.489 1.541 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCC(C(N)=O)CC1)n2CCCOC 1873559693 YJIBXUNCZVYOHN-UHFFFAOYSA-N 440.548 1.984 30 10 IDEE C[C@H](NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)C1(O)CN(C(=O)OC(C)(C)C)C1 1993923958 QGSORAZPDQRAAG-AWEZNQCLSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CC(C#N)C2)C1 2025241927 AABQFZGZCNGRQR-IBGZPJMESA-N 449.577 1.398 30 10 IDEE Cc1csc(CN(C)S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1C#CCN 2156988934 IZVHJPUEWBLXNN-UHFFFAOYSA-N 445.566 1.815 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243411909 CGWJZFKXAQOXMR-RYUDHWBXSA-N 444.384 1.991 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247834942 DGHKJRARNJTLKH-UHFFFAOYSA-N 441.359 1.713 30 10 IDEE C[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2247950812 GOQBSRFGSMPSCZ-ZDUSSCGKSA-N 441.359 1.572 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(OCc2ccccc2)C1 2247952890 PHAAPOLGMMYORZ-UHFFFAOYSA-N 433.339 1.309 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2248404732 MMOQBIJCRYGIDU-CQSZACIVSA-N 440.371 1.891 30 10 IDEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255654828 DUTDDJKGVPWVPO-CYBMUJFWSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255695695 JHVCEXQTPXTSOH-KBPBESRZSA-N 432.330 1.666 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2255818983 TYQCMCZLVUGGLF-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c1 2255873827 ORRDMLORPRRZJH-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE Cc1cnc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)c(B2OC(C)(C)C(C)(C)O2)c1 2267112177 CJPANTAMHXLSFA-UHFFFAOYSA-N 447.341 1.713 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267136333 JJTBDGBYKYOIMY-MWNCTCPHSA-N 448.329 1.119 30 10 IDEE COC[C@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)OC 2282832977 DYYHVJOLYJBJKP-JTQLQIEISA-N 425.765 1.640 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1cccc(F)c1C#N)NC(=O)OCc1ccccc1 2286042985 FLGNINRCGWZAKI-QGZVFWFLSA-N 435.433 1.907 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(=O)NC 2320260116 ATWKVBHSOAWJRV-LBPRGKRZSA-N 440.360 1.282 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1C#N)C(=O)CO2 20279368 HGGNNTHOYLKSDD-UHFFFAOYSA-N 442.497 1.953 30 10 IDEE CCOC(=O)C1=C(N)N(CC(=O)OC)c2ccccc2[C@@]12C(=O)OC1=C2C(=O)CCC1 20609278 BWZOMZRPJZSAPM-QFIPXVFZSA-N 426.425 1.215 30 10 IDEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(c3ncccn3)CC1)c1nc(C#N)c(C#N)nc12 39846474 OQSMQIPOKTYEKP-PKTZIBPZSA-N 428.500 1.688 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc(C)c2)CC1 57830843 OWGSLMULFLHFMU-IBGZPJMESA-N 432.590 1.293 30 10 IDEE CCc1nnc(CNC(=O)CSc2nc(N/N=C/c3cccc([N+](=O)[O-])c3)n[nH]2)o1 59878375 PNWILBWTFZTOKV-CNHKJKLMSA-N 431.438 1.513 30 10 IDEE C=CCn1c(=O)c(N2CCC(NC(=O)N[C@@H](C(=O)OC)C(C)C)CC2)nc2cccnc21 97937964 HWAQVEFZFXSLEY-QGZVFWFLSA-N 442.520 1.443 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1 432974084 YGULKBJSDPWCHU-UHFFFAOYSA-N 449.330 1.965 30 10 IDEE CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@@H]1CCN(c2ccccc2F)C1=O 440332925 BBZCQJLZXUMENX-MRXNPFEDSA-N 426.452 1.851 30 10 IDEE COc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc(NS(C)(=O)=O)c1OC 463349809 NSUGVXBSHRBKOR-UHFFFAOYSA-N 445.501 1.304 30 10 IDEE Cn1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2)c1=O 470535802 ATDLVVOAGNYDKL-UHFFFAOYSA-N 449.515 1.717 30 10 IDEE N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)CC2)cc1 477037697 WMDAXCWAKGPWIA-UHFFFAOYSA-N 445.566 1.785 30 10 IDEE N#Cc1ccnc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 477444869 QHUGCRBXFUGHEG-UHFFFAOYSA-N 441.469 1.674 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C(C)(C)C)cn1 480939870 TVKXQXRSTQZBET-WIYYLYMNSA-N 435.532 1.724 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 506121838 IAABVIXBAHDZOU-CQSZACIVSA-N 439.501 1.510 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508929491 HUDRQCKLGCKKKP-OAHLLOKOSA-N 435.492 1.509 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 514430578 MDXNULYMOVPBPK-KRWDZBQOSA-N 432.569 1.848 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 518499380 GRNNNASVHCKNGP-SFHVURJKSA-N 427.549 1.022 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 533671040 KDKNXPIOHIGUQV-UYAOXDASSA-N 437.947 1.854 30 10 IDEE C[C@@H](C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)n1cnc(C#N)n1 539504409 JAMDJMRVHKMJLQ-AWEZNQCLSA-N 438.879 1.259 30 10 IDEE COc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(=O)(=O)NC(C)C 544834149 YQDGINQHAQGGPD-UHFFFAOYSA-N 443.529 1.611 30 10 IDEE C[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCN(c2ccccc2)CC1 544843876 YISOHUVTHAFNBF-FQEVSTJZSA-N 433.560 1.996 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 549698051 CWEMYXFGONLLSW-OAHLLOKOSA-N 432.550 1.438 30 10 IDEE CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1Cl 564131136 LGOHOSNZHBKGMH-INIZCTEOSA-N 436.317 1.764 30 10 IDEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 583150385 LMSQEZUHXXOBFZ-ICSRJNTNSA-N 434.468 1.676 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)c(F)c1 585720613 VMOIYHFTQSOZMT-UHFFFAOYSA-N 437.519 1.638 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1S(=O)(=O)NCC#N 608868111 YFDKURJDVWVSEP-UHFFFAOYSA-N 442.541 1.559 30 10 IDEE Cc1nc([C@H]2COCCN2C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)no1 615412664 CIHMINVBTOOLLD-OAHLLOKOSA-N 425.380 1.113 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cc1F 730137108 DCINZNRPSORJDE-QGZVFWFLSA-N 449.552 1.412 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 733150834 XDOMFTXGRDBRFS-GOSISDBHSA-N 441.532 1.728 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(-c2ncccn2)c1 737981244 SWQQQYFVACMQPS-INIZCTEOSA-N 439.501 1.898 30 10 IDEE CCOc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751699389 NKKWTQNJYYINDQ-WMZOPIPTSA-N 434.562 1.874 30 10 IDEE CCOC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755543394 BRPIKOYBGMLFDT-BBRMVZONSA-N 430.461 1.677 30 10 IDEE C#CCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 760335670 BGWLEXWHLAKRPU-CYBMUJFWSA-N 439.843 1.411 30 10 IDEE COc1cccc(/C=C(/C(=O)N2CCN(c3cccc(C#N)n3)CC2)n2nnnc2C)c1 760794531 UCZDTSJBRBSLGO-ZHZULCJRSA-N 430.472 1.604 30 10 IDEE CCC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 770332368 OHUGFTBPZXKOCF-GFCCVEGCSA-N 430.324 1.892 30 10 IDEE CCN(CC)CC#C[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 770801732 JJQCRYIYFVHTLF-YJBOKZPZSA-N 425.551 1.969 30 10 IDEE C#CCOc1ccc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 780402412 VPZAPLRVAVTPRN-OAQYLSRUSA-N 435.528 1.694 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H](O)Cc2cnn(C)c2)cc1 786802014 PSQDSCGQNSCHTK-BUIMCUSZSA-N 433.534 1.555 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ncc3n2CCCC3)C1 800104088 UCMHTZZCOKJLHB-HNNXBMFYSA-N 427.530 1.664 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)s1 1135777565 PKLXVZKETQTICE-UHFFFAOYSA-N 429.545 1.349 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NC3(CCO)CN(C(=O)OC(C)(C)C)C3)CC2)o1 1142419513 SQYNLJCFVCSKJZ-UHFFFAOYSA-N 433.509 1.559 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1150870508 IPFQZNHKPPHEED-NRXGSXMXSA-N 435.406 1.196 30 10 IDEE O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCCN(O)C1=O 1159642541 YGZTWKZRGAIRQZ-JTQLQIEISA-N 429.804 1.134 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)c1ccccc1 1163097009 OHCQJYHXDNNWKV-RTBURBONSA-N 428.510 1.719 30 10 IDEE CCOC(=O)C(C)(C)ONC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1163670394 BUZXLGMTLDEXID-UHFFFAOYSA-N 425.507 1.675 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)c1 1166232383 NRLCMQTXDMBZDG-UHFFFAOYSA-N 447.538 1.386 30 10 IDEE C=C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1183334282 VMKLIYWTAAKFQE-INIZCTEOSA-N 441.575 1.302 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(=O)N(C)CC)c1 1286310328 CTRRIOVVFNMBOW-UHFFFAOYSA-N 445.527 1.798 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1286324859 SQZRSLVZBVEZSS-KRWDZBQOSA-N 429.550 1.100 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1286377123 SKVDLZCPIWMQRK-GJZGRUSLSA-N 425.555 1.410 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286400369 DMIZPTXFJBJCDV-QHCPKHFHSA-N 443.548 1.870 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1286407520 KWIZNJYWPOCLCA-YADHBBJMSA-N 430.556 1.867 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccncc1 1286462577 NKIPDVUSKXIPCU-UHFFFAOYSA-N 443.511 1.916 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1286481404 VFWNWBQTHIFNFU-PCCBWWKXSA-N 444.624 1.815 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1 1286516335 GDKPXZXGUCVEFX-OXQOHEQNSA-N 436.582 1.283 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1286638665 INJNIFIGSQXFER-FQEVSTJZSA-N 441.598 1.803 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286710875 FKJXOEPOZRZFJP-UHFFFAOYSA-N 442.568 1.016 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286781751 ZLUHNHMJTQRHRX-INIZCTEOSA-N 435.492 1.303 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1286906091 DKCICBHQLJGPSR-OALUTQOASA-N 435.532 1.836 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cnnn1 1287007865 JVSMYQCJAAUBIQ-UHFFFAOYSA-N 438.515 1.990 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO2)C1 1287073513 HVPXLOHKUBRDIJ-YYIAUSFCSA-N 432.525 1.957 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1290816672 PEZSHSRLSFEZFP-UHFFFAOYSA-N 425.493 1.988 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1292688009 KNCIGEZMJNXNMD-UHFFFAOYSA-N 445.888 1.963 30 10 IDEE COC1(C(F)(F)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)CCOCC1 1299739863 QQHAZVPHALFJNX-OAHLLOKOSA-N 440.495 1.827 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1Cc2cccc(C#N)c2C1 1300167949 GDHFPAMIBZLGSD-IBGZPJMESA-N 441.509 1.642 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1300392631 DNEOWVFAWATBAA-TZIWHRDSSA-N 443.525 1.821 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1300497317 APPHZFKCGOEAGE-IBGZPJMESA-N 439.545 1.096 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H]1C 1300569180 FIXKSWGFBCNIRF-IBGZPJMESA-N 429.532 1.868 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)CN2CCOCC2)CC1 1300692998 PURBAIJHABWHKE-FQEVSTJZSA-N 438.576 1.677 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2ccn(C)n2)CC1 1300725594 BCVHDLQJIAJFRN-UHFFFAOYSA-N 449.534 1.950 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1300763735 RLYZBQPUXAAZJZ-ZWKOTPCHSA-N 448.618 1.893 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300765934 NXQCPZFIZQPBNM-KRWDZBQOSA-N 428.537 1.930 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(C)(=O)=O 1300789330 HQTAFWBHYHZPGJ-LJQANCHMSA-N 436.559 1.385 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1 1301481511 MJBYPXGVHCIUOX-INIZCTEOSA-N 444.511 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC(=O)NC(C)C 1301485342 UZLZWNWMSZPXHZ-UHFFFAOYSA-N 449.353 1.971 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2C#N)CC1 1301491560 TUSPSMJTGQPUEM-UHFFFAOYSA-N 430.516 1.784 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1301892058 SRAKSPIAUSCRSH-QFIPXVFZSA-N 426.521 1.391 30 10 IDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1 1303534008 AGORVLRWBKABQP-UHFFFAOYSA-N 436.530 1.413 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCOCC1 1305532671 LVRLCAUMJXVQNA-QGZVFWFLSA-N 425.537 1.926 30 10 IDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1=O 1307345573 GLQLNMUAHBUKFP-OAQYLSRUSA-N 440.475 1.291 30 10 IDEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)N2CCO[C@](C)(C#N)C2)CC1 1312733440 KEEFRIJICLAGMH-HRAATJIYSA-N 434.562 1.940 30 10 IDEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCNS(C)(=O)=O 1314321462 KORUDUBTLCQWDL-UHFFFAOYSA-N 444.561 1.919 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)NCc1ccco1 1314389077 AXKDPRIRMQGFBK-UHFFFAOYSA-N 449.515 1.922 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1316355582 ICMGMQJFPDSKTG-UHFFFAOYSA-N 443.577 1.288 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(I)n1 1355540775 PNWCBLMPZNCELU-JTQLQIEISA-N 445.261 1.610 30 10 IDEE CC(C)Cn1[nH]c(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1=O 1357484749 UYOMWGSYKVQCED-NKFKGCMQSA-N 433.534 1.826 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1358919029 PPQQRCCKCOHVJT-UHFFFAOYSA-N 438.536 1.443 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358954915 AOYJAYBSYNDVAR-RTBURBONSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358964932 KGJDGDPCAVRGKB-VQTJNVASSA-N 444.557 1.219 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359023856 YJNKLMLCBRYLSV-RTBURBONSA-N 435.594 1.836 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1359055499 FYBYSLAQEFMOHV-LJQANCHMSA-N 446.621 1.677 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1359073330 MCQRVVSIZPGRBQ-HSZRJFAPSA-N 446.515 1.895 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(=O)NC 1359098235 YUPCYEKCDJXQGX-AUUYWEPGSA-N 430.509 1.559 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1359105758 UAIUZMLBYTVENR-JBYGMCGMSA-N 447.580 1.968 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359306572 KRMFMUGENFIZHZ-QGZVFWFLSA-N 431.566 1.519 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359342285 UFNXLJMKPGGCRY-KSSFIOAISA-N 425.580 1.163 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1360257374 LQPXSSIPTDWUBU-GGNAOWBESA-N 447.565 1.273 30 10 IDEE Cc1ccc(-n2nc(Br)cc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1439794445 ICQTYJIJOBWVGS-SCLBCKFNSA-N 449.330 1.954 30 10 IDEE C#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)cn1 1439824703 LWXLESARROSQTE-MRXNPFEDSA-N 431.233 1.981 30 10 IDEE N#CC1(C[C@H](O)CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCOCC1 1473299599 OUZWYKHBCANAQT-HNNXBMFYSA-N 445.944 1.857 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(=O)OC)c(C(=O)OC)c2)c1 1474853772 HEJLTPLBRGLZLG-UHFFFAOYSA-N 444.465 1.500 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2Br)CC1 1475233277 GNKDAWIMMUMGKI-UHFFFAOYSA-N 443.319 1.386 30 10 IDEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCNC(=O)C(C)C)C2 1492763554 HXIBJRZXJZTKEV-UHFFFAOYSA-N 449.519 1.421 30 10 IDEE CC[C@H](C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1495057665 MAGKIYOEDHFLPY-IAOFPLEJSA-N 438.554 1.187 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1502689453 ZEIWHDJRWUNKDD-VFNWGFHPSA-N 428.493 1.406 30 10 IDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(C)=O)cc(OC)c1OC 1504075094 VMIOABMAWSNBSG-OAQYLSRUSA-N 446.483 1.939 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC1(C)C 1504505653 WTAYJJDCLQVEJC-SFHVURJKSA-N 447.561 1.739 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507633078 ATBGDOLNLGUBBH-FQEVSTJZSA-N 449.621 1.360 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1507633151 CVTVHIBPFPHTOM-FQEVSTJZSA-N 438.557 1.760 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507749893 AQMNSCBZWYBXAJ-SJORKVTESA-N 445.593 1.413 30 10 IDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCO)CCOCC(F)(F)F 1508737126 KDZWSVOHYKQUGH-UHFFFAOYSA-N 427.427 1.965 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1509951318 GLJLESUPERPKNL-INIZCTEOSA-N 446.581 1.625 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCOC)CCOC1 1516215675 VCCNZEJKOOQRQV-QFIPXVFZSA-N 441.536 1.560 30 10 IDEE COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1518277336 MLQBMICWOIKMJX-DLBZAZTESA-N 443.504 1.975 30 10 IDEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1532472393 PSUMOHWTVOQIGG-LVLBFHFTSA-N 448.497 1.903 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539225353 NGPBPJMBVXOJAD-GOSISDBHSA-N 431.562 1.442 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc([C@H](C)OC)n2)CC1 1539427386 DAWNUEZXEOCGOB-HNNXBMFYSA-N 431.566 1.384 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)nc2)CC1 1539431281 SRJQNGVVKBIRQN-JOCHJYFZSA-N 426.521 1.137 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2COCCO2)CC1 1539441480 QEHBYTIKPYJTOV-LJQANCHMSA-N 441.532 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC2CCOCC2)CC1 1539476934 HQBZDHYTELRWEK-IBGZPJMESA-N 442.564 1.402 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2([S@](C)=O)CC2)CC1 1539480952 HDWOSQZXMDAKKM-ZQHDKMAOSA-N 433.578 1.397 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1539500496 YKBCLTAQSXABQC-QGZVFWFLSA-N 449.602 1.787 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1540861646 ANEJODYRCQRBLH-DLBZAZTESA-N 432.569 1.893 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1 1540880724 ORFOZVOATSYLLH-SFHVURJKSA-N 426.521 1.857 30 10 IDEE CC(C)CN1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541567190 UOVRFFMQLFMRAN-IDYLYPCZSA-N 443.552 1.434 30 10 IDEE Cc1ccc(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C 1542401089 OTDIRUGLPAJDHQ-OPAMFIHVSA-N 428.537 1.970 30 10 IDEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCOCC1 1552795958 HGZJXICHLPTVMM-UHFFFAOYSA-N 444.561 1.162 30 10 IDEE CNC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554481161 ABVHBSNNAUNNAQ-UHFFFAOYSA-N 446.515 1.683 30 10 IDEE Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cn1cc(C#N)c(O)nc1=O 1558953907 GGPMKEQIXPNIFS-SFHVURJKSA-N 433.472 1.411 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC(Cc3nc(C4(OC)CCCC4)no3)CC2)CC1 1560016564 IZAKLJOTOHTQPE-UHFFFAOYSA-N 429.565 1.517 30 10 IDEE C#C[C@H](NC(=O)Cn1cc(Br)c(O)nc1=O)c1ccc(Br)cc1 1569673739 MRCBTDMNOATVOT-LBPRGKRZSA-N 441.079 1.965 30 10 IDEE Cc1cccc(CS(=O)(=O)CCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1585100718 IDVXFAWIYMVOTR-UHFFFAOYSA-N 429.546 1.562 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1587765464 GXUPJKZUDRYYLP-QZTJIDSGSA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588029420 HSNGOOXIIAGPLH-MRXNPFEDSA-N 439.582 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ncnn2C(C)(C)C)CC1 1588913291 GNPNALSLDIYJCM-UHFFFAOYSA-N 449.563 1.644 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1593691557 YZUISYIPJVEQRR-JOCHJYFZSA-N 433.553 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](OCCOC)C1 1595517142 QKWYYOWEUMURBG-KRWDZBQOSA-N 443.504 1.608 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595522840 LJULFKLTOXKIFM-HNNXBMFYSA-N 439.524 1.160 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccccc1CC 1595537709 WRTJZOOJOWALJN-KRWDZBQOSA-N 439.520 1.169 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1595562273 SCLUGGNXRXLSKV-QGZVFWFLSA-N 445.593 1.095 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](OC)C1 1595761098 XSWMLMMOTVLBPF-SFHVURJKSA-N 447.561 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595805509 PYHNWSKDQXHESL-YLJYHZDGSA-N 426.583 1.852 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1617238017 CYJHHLSJIHCJKN-RUNIHZNKSA-N 446.552 1.734 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617613687 VCPSDXVHEMYQAW-UHFFFAOYSA-N 428.456 1.440 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1618042133 YTFLAYRMTIGNNB-AEFFLSMTSA-N 443.953 1.623 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 1619210698 GRPPQRUGYOKHDH-SJLPKXTDSA-N 446.533 1.106 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1619239340 AZAJTNGVKQVNMV-RTWAWAEBSA-N 441.532 1.996 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2I)CC1 1622395540 CDTUWFLSCSFNGC-UHFFFAOYSA-N 449.252 1.675 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N[C@H]3CCCN(O)C3=O)c2C(F)F)C1 1625082987 ZCXBAOJQJHFTFL-QWRGUYRKSA-N 444.439 1.508 30 10 IDEE C#CCN(C(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1626433989 BMDAEGLEKLHAKW-CABCVRRESA-N 436.534 1.505 30 10 IDEE C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627136322 FTRDUQLQEKWXAJ-XMZIXOGTSA-N 431.283 1.752 30 10 IDEE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1628705904 AIEXQFLYRAHPFK-SFHVURJKSA-N 442.545 1.269 30 10 IDEE COC(CN(CCCO)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)OC 1633381962 FZVLHZSUPWZEHO-ZGOJQLDESA-N 425.526 1.603 30 10 IDEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccc(C(=O)NO)cc1 1635200762 NQEZUYOWHNCAME-WMLDXEAASA-N 434.537 1.648 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)C2)c(=O)nc1O 1637359647 STKSXSVMVIQPLS-UHFFFAOYSA-N 436.516 1.689 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)s1 1640176261 IDZFREMJEZZPME-GOSISDBHSA-N 449.598 1.638 30 10 IDEE C#CCN(C(=O)CN(C)C(=O)[C@H](C)n1cccn1)C1CCN(C(=O)OC(C)(C)C)CC1 1644787819 GOQLSWDXQIZYML-KRWDZBQOSA-N 431.537 1.764 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CN2CCCC2=O)s1 1648766137 FEROWWGOGIOWIJ-OAHLLOKOSA-N 425.576 1.758 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 1653862040 ALAFXRSFYARDBF-GOSISDBHSA-N 432.477 1.461 30 10 IDEE COC(=O)C1CC2(C1)CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]2C(=O)OC(C)(C)C 1654755522 APLSCEFCJQOQRJ-PSCUFVCCSA-N 432.521 1.485 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)cc1 1658320834 ODTCPRYUEWWAKH-CYBMUJFWSA-N 433.490 1.716 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)C1 1681433791 JKXRHPVDDNEEMS-ARFHVFGLSA-N 426.539 1.354 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccco1 1689851169 NARHUBKZXOUFBF-KRWDZBQOSA-N 448.531 1.933 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CC=CCO2)c1 1689873538 MVHJFSNXHPQUQX-FQEVSTJZSA-N 448.527 1.802 30 10 IDEE C#CCCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1689906581 OOJQKNMFJQBDSI-JOCHJYFZSA-N 427.553 1.794 30 10 IDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1689923101 LAVQTELMAIIKFS-GOSISDBHSA-N 446.577 1.328 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccc(OC)c1 1689978439 VPNBUKDGTFQXLO-HKUYNNGSSA-N 427.505 1.510 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1689996029 CNOYKWFASHVZNU-IKGGRYGDSA-N 437.541 1.165 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1689999437 AWYBAQKNTPQZHU-KRWDZBQOSA-N 441.557 1.702 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1690015457 NBWKYXUVEBSRHL-NRFANRHFSA-N 426.546 1.516 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1690256734 UOGZPROKVHBQCG-CABCVRRESA-N 433.600 1.116 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC)cc1 1690679910 CIJLNLFUYZSPJX-GOSISDBHSA-N 435.550 1.680 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690727047 SNZVUNGBUJGZQS-UHFFFAOYSA-N 439.582 1.889 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1690923433 WEDYWIKPZDBMBX-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE CC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694162515 FSPXEZIJADIHMF-DXQAYGFFSA-N 429.525 1.523 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1696749783 LRESXLKANCMEBF-ROUUACIJSA-N 437.504 1.810 30 10 IDEE CN1C[C@@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N(CCC#N)CC2CC2)C1=O 1696874648 NEWAPUALTILOEA-NRFANRHFSA-N 441.561 1.878 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705522841 GKAIYYHCCYZTRO-SJLPKXTDSA-N 440.935 1.990 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1705567308 WBFMBZGWEDJMNA-SFHVURJKSA-N 442.589 1.760 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1705620443 TZSBUOAMBWBNFY-AEFFLSMTSA-N 440.479 1.549 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccn(C)n2)CC1 1705632035 GEMQFMHOCMSECF-UHFFFAOYSA-N 432.532 1.684 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1705729326 SKVXFVJLZYIZOU-UHFFFAOYSA-N 438.536 1.602 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705786295 KVAAZKFPRHEMIS-IFXJQAMLSA-N 426.587 1.453 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1705805937 SRCFNMZKNACGLI-CRAIPNDOSA-N 426.518 1.409 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1705875830 HMIHXTJKONKRHL-IBGZPJMESA-N 447.561 1.330 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1705902250 AGBIEPQCVXCELK-ZWKOTPCHSA-N 440.548 1.808 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1706187840 HBZUARFBAYENMO-GNDSEDMPSA-N 434.522 1.282 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cnn(C)c1 1706851915 NFFJBYLCVNNXAV-ARFHVFGLSA-N 449.585 1.029 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1711430948 GMMWTNAOHYNXLY-IBGZPJMESA-N 426.521 1.784 30 10 IDEE COc1cccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1711918717 SPWIKBDOUSFHGW-AYAKEVCGSA-N 438.488 1.705 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1722365071 BZSNAXRQEAHZCD-KRWDZBQOSA-N 439.651 1.542 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722398514 BBDIMMGHFZQQKS-GOSISDBHSA-N 431.587 1.675 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1722426252 DVGQDADUQKQPQJ-FQEVSTJZSA-N 442.516 1.808 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1722438134 ZFQULFBHNXXEAE-YADHBBJMSA-N 443.640 1.549 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC=CO1 1722446699 JCRCKTFDILVWQF-QGZVFWFLSA-N 434.500 1.971 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)no2)CC1 1722449644 NKEUYJBSSFCCDN-UHFFFAOYSA-N 436.520 1.450 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(OCC(N)=O)CC1 1722504572 GSQNHVSKIZKCTI-HNAYVOBHSA-N 427.509 1.187 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC)C1CC1 1722650684 INEDOMGQWZOYKN-MRXNPFEDSA-N 427.571 1.438 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1722672202 MCCCFZXAINQBAV-KRWDZBQOSA-N 436.513 1.372 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(C)c2)CC1 1722692515 PAUWKWAHYZADNE-UHFFFAOYSA-N 439.564 1.349 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](COC)C2)cc1 1722703030 TUPIEUSXSQIANH-HXUWFJFHSA-N 441.532 1.979 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(C)(=O)=O 1722862226 HQKHJWUFKPCEMU-GFCCVEGCSA-N 428.465 1.692 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1723619716 BCAFPTSNGPIOMY-LJQANCHMSA-N 434.504 1.438 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730628668 GKGAKJSNQLDVIQ-QHCPKHFHSA-N 449.515 1.971 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1740565760 GRCJTIQXXSAPMR-UHFFFAOYSA-N 429.546 1.854 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN(C(C)=O)C1 1740644450 GRRJAOVZOJUEKU-LJQANCHMSA-N 426.565 1.918 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740671185 ATSZKMSRNZAIGN-CABCVRRESA-N 433.500 1.524 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1COc2ccccc2O1 1740680168 TUHLAHGMVUTGPY-FDDCHVKYSA-N 442.516 1.856 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2)CC1 1740692547 LEXBRAAOELOOLD-HSZRJFAPSA-N 425.533 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)CC1 1740696335 RHICFZAEGVDNFQ-JKSUJKDBSA-N 427.521 1.371 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2nnc(CC)s2)CC1 1740704848 UXMAOOKEPYAATI-UHFFFAOYSA-N 437.533 1.163 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740739310 RCTNKUGKSRLHIT-MCIONIFRSA-N 444.330 1.845 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740781234 VXJXMCCIXHWHCR-UHFFFAOYSA-N 439.545 1.963 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740900712 WXYFTTWHJFQQRP-LJCCNALRSA-N 439.582 1.174 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1740937652 LHOSUUBDZMCKNV-MJGOQNOKSA-N 428.537 1.778 30 10 IDEE CC1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1741124497 FQFJRTVKAZJLKI-IXDOHACOSA-N 425.603 1.605 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C2CCC2)C1 1741987905 JVBMCUMOTYSDND-JOCHJYFZSA-N 427.553 1.837 30 10 IDEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)s1 1742738762 FKHGIHZERVDSJE-LBPRGKRZSA-N 431.547 1.894 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1748730319 JKPNRIGAIFTFNE-FQEVSTJZSA-N 427.597 1.532 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1748751302 FGRIAZVLFPDVQA-KURKYZTESA-N 449.552 1.850 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748811466 HLFXMQGZMLJEGR-IRXDYDNUSA-N 444.561 1.272 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1748901844 BKWWMNQEALSXTO-RTBURBONSA-N 441.576 1.942 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1748925261 FULJBCGLEIGZCY-SFHVURJKSA-N 429.546 1.298 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1748944911 ITRDDBCNTBFVSD-RTBURBONSA-N 427.480 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccco2)CC1 1749011128 VUJBYCOMMPQQLO-UHFFFAOYSA-N 447.499 1.329 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccn(C)n2)CC1 1749015902 RGHCDIDBCSAQPA-UHFFFAOYSA-N 449.563 1.082 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749119233 PCOFRRITHYKDRM-MLHJIOFPSA-N 442.582 1.607 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)CCC)CC1 1749343120 XLVAQKRSGQJENL-PXNSSMCTSA-N 441.598 1.565 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749457125 OGHWDTSXJSOHOT-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1749645837 GRDBOHXEKOTIBC-KRWDZBQOSA-N 447.584 1.746 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1749669332 GWYGTSJIUYPHDP-ZWKOTPCHSA-N 432.569 1.955 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682431 UDLANHYWEVQQOV-BBWFWOEESA-N 448.568 1.966 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749715143 PYLOJQMUGIGKDR-ROUUACIJSA-N 442.495 1.778 30 10 IDEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750191161 ANGLWJWLWCRFNO-IBGZPJMESA-N 444.492 1.748 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1750196788 FMBQDADQKOTQKE-HXUWFJFHSA-N 447.586 1.698 30 10 IDEE C#CCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1760159716 NKSUKFAPNNMQQL-QFIPXVFZSA-N 426.521 1.389 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1760181970 FWIRKIZJVFEKOS-IBGZPJMESA-N 443.573 1.767 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1760193112 TZSYTGBHZGEKEK-QGZVFWFLSA-N 448.545 1.507 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC1CC1 1760249658 PRCSLLKCHDNEAZ-LJQANCHMSA-N 425.489 1.403 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOCc2ccc(OC)cc2)CC1 1760260452 SUYZJOMOKQRDLP-UHFFFAOYSA-N 433.516 1.716 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCN2CCOCC2)CC1 1760261252 NCKQSLQFFSNVGW-UHFFFAOYSA-N 438.576 1.643 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CCOCC2)CC1 1760264153 DAYUBYWXSPZUQS-UHFFFAOYSA-N 425.533 1.462 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(CC)(CC)OC)CC1 1760264996 KGKROIJDVSIDRQ-UHFFFAOYSA-N 432.569 1.587 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1760274474 KEPDGKZWTCJKGO-OAHLLOKOSA-N 432.575 1.763 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1760360802 AUGIVWOMWOYXLR-UHFFFAOYSA-N 434.585 1.149 30 10 IDEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1760447348 IWUSHNIKAJQORF-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760449402 IPMJBRJONUMOML-CVEARBPZSA-N 445.524 1.906 30 10 IDEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760497174 USWMBVPZQHCSBX-NRFANRHFSA-N 432.546 1.894 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760519864 RXTKQANSSVSSER-OAQYLSRUSA-N 437.592 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)NC)CC1 1760551925 WSFVLSMOALGUCX-UHFFFAOYSA-N 435.550 1.800 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1)N(C)C 1761422289 CMJZRMXAVGWQMN-SFHVURJKSA-N 447.547 1.795 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)[C@H]1C 1763007110 WJFZFLWDZHEBPJ-MPGHIAIKSA-N 437.504 1.952 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1764552920 BDODGXHOQKYOEI-SJLPKXTDSA-N 445.545 1.583 30 10 IDEE Cn1cccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767493385 KBEKKRCHNMUYGM-AQMPTVPWSA-N 434.504 1.940 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1768455945 AHHPNSOWJOROII-UHFFFAOYSA-N 437.548 1.454 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cn(C[C@@H]3CCOC3)nn2)cc1 1852302332 AABXSNAGZRUINC-ICSRJNTNSA-N 441.488 1.123 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1OC 1862580199 ZFZZTPLLWCOIFP-SFHVURJKSA-N 444.396 1.888 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1c(OC)ccc2ccccc12 1865722292 ODXPCCKLAQZMIE-KRWDZBQOSA-N 448.479 1.243 30 10 IDEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868794583 DVWIUPYGMPSWKK-QZTJIDSGSA-N 445.589 1.643 30 10 IDEE CN(C)C1CCN(C(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1872678602 CXYVBDHBXUKMPG-UHFFFAOYSA-N 444.517 1.675 30 10 IDEE C[C@H]1CN(C(=O)c2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1 1872678987 UYUWGMIFTKNDFF-PHIMTYICSA-N 431.474 1.758 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874435338 ZZRNURSYYUSCMD-DNTJNYDQSA-N 434.478 1.996 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255536067 DACCYKIQBYXVGQ-HUUCEWRRSA-N 436.314 1.597 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2CCN2Cc2ccccc2)n1 2255932346 YJNXTRZDMGARMH-QGZVFWFLSA-N 446.382 1.272 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256616825 FBVXFADIVURRBN-KGLIPLIRSA-N 433.314 1.690 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267550494 ZZCNMSKCBPCYRC-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCSC[C@@H]3CO)cc2Cl)OC1(C)C 2282311301 GTWIMLPSUXRBFG-JTQLQIEISA-N 439.817 1.799 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@@](C#N)(C2CC2)C1)NC(=O)OCc1ccccc1 2286045208 MVRXRBCGXOVXHF-PXNSSMCTSA-N 435.502 1.410 30 10 IDEE COc1cccc(C=CC(=O)[C@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 2328074106 REUGIICBCMNVOH-DYESRHJHSA-N 447.491 1.811 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2337204855 QOCCMWXLXIITQX-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1cccc(C#N)c1 11400276 VYMDUTZHOLKVOT-UHFFFAOYSA-N 443.481 1.683 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1 33021224 RNFUNFJEJLXJHR-OAHLLOKOSA-N 440.481 1.929 30 10 IDEE C#CCN(C(=O)c1cnc(Br)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 314549739 OMVJEJXTOXZFJW-SNVBAGLBSA-N 436.125 1.869 30 10 IDEE CCOC(=O)[C@](C)(NCC(=O)NC1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)cc1 430258969 NSJHIRHSLZXMKM-HXUWFJFHSA-N 435.546 1.801 30 10 IDEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 433321977 YTNONHZRAAUMEH-IBGZPJMESA-N 444.469 1.687 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@@]3(CNC(=O)C3)C1)CCCC2 434754451 ILZFPDGVBBKJPW-WAIKUNEKSA-N 425.533 1.568 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@H]1CCCO1 447004613 CRSKVXRLICBSMI-MRXNPFEDSA-N 435.505 1.640 30 10 IDEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 471660410 WCIQZOYTGHLZTP-UHFFFAOYSA-N 437.319 1.806 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O 482141617 KAPNFLXLHVMSRW-DNVCBOLYSA-N 426.498 1.489 30 10 IDEE CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 502339283 YDFRBQLRZKEWND-UHFFFAOYSA-N 440.469 1.102 30 10 IDEE N#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CC1 505959029 DCWKUIIDJPXYJO-IBGZPJMESA-N 432.546 1.730 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 507779259 OBWPFICKXNQLIJ-MRXNPFEDSA-N 437.338 1.902 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 515558845 HVFFPRFVWVFDSG-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 517969967 XSUFOESBUFOAJK-HSZRJFAPSA-N 433.516 1.967 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 521002075 WLLCESTYNDMNHG-OTWHNJEPSA-N 447.557 1.651 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](Oc3ccc(F)cc3)C(=O)OC)cc2C1=O 534768693 HQSKSBXXIQAMSU-GOSISDBHSA-N 426.400 1.958 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 537250165 YCJWNYUXZQDAFU-IRLDBZIGSA-N 441.551 1.869 30 10 IDEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 545461443 HOSPCMNPIKNMSA-KRWDZBQOSA-N 442.545 1.595 30 10 IDEE C=CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 567280611 LNFXEIRSLJRQOF-MRXNPFEDSA-N 438.550 1.366 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 603733551 YKPVFIYLJIAXJO-QGZVFWFLSA-N 445.570 1.907 30 10 IDEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 603798588 ODCFNKYLGOTJFY-HNNXBMFYSA-N 441.534 1.563 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NCC#CCNC(=O)[C@@H](C)Oc1ccccc1C#N 614022022 JIXJYFFYPQKXRM-HDICACEKSA-N 430.464 1.901 30 10 IDEE CCc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)c1 727416634 VIMMUGYIZRBANW-UHFFFAOYSA-N 435.505 1.416 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cocn2)C1=O 730724366 OXCJXQVGJOKROW-OLRQPGBRSA-N 430.534 1.180 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ccccc2Br)C1 732468100 BSCLXHGLERYNKB-XAGMJWQQSA-N 448.321 1.853 30 10 IDEE C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 732705584 CWFIEGNGWLGBIW-ZHALLVOQSA-N 437.544 1.942 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)CCN1C1CC1 732706004 BALIOHPFZUMAOU-SNVBAGLBSA-N 435.412 1.755 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(c2ncnc3sccc23)C1 742662461 AJORHRZETYJVIK-LAVFMPCWSA-N 426.502 1.550 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)cc1C#N 747494616 BGIHWFBTUSMECV-UHFFFAOYSA-N 440.456 1.541 30 10 IDEE COC[C@](C)(CO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 751542037 AKKWFKBHSYJCCN-WXNAFCGMSA-N 426.539 1.799 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(C)n(-c3ccccc3)c2C)c1=O 758061203 YJXRYBXZNWVSMV-UHFFFAOYSA-N 444.560 1.980 30 10 IDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 759484639 VHXFTSUMQUYNHC-KRWDZBQOSA-N 445.501 1.466 30 10 IDEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)c1 768422893 VRALVLOFDHUMQD-QGZVFWFLSA-N 443.577 1.632 30 10 IDEE CCN1CCN(CC(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C(=O)C1=O 774266381 LAKFJEGKCDTESN-UHFFFAOYSA-N 430.276 1.996 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CCC2CS(=O)(=O)C2)C1=O 786686598 DTVHOQVZIRKQSN-CQSZACIVSA-N 429.951 1.842 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1Cl 791029964 OQAPDYXSMYHJKI-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1(S(C)(=O)=O)CCOCC1 796387929 IDUJESJFBKJZBV-HNNXBMFYSA-N 438.502 1.467 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)=NO1 798837017 CCNDNUAUJVBYGA-GOSISDBHSA-N 427.505 1.872 30 10 IDEE COC[C@@]1(C(=O)NS(=O)(=O)Cc2ccccc2C#N)CCN(C(=O)OC(C)(C)C)C1 810518107 ZLQSFDDSEHYELA-HXUWFJFHSA-N 437.518 1.778 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 810678563 BTJHMSLMHWOUIJ-LBPRGKRZSA-N 437.396 1.827 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)COc1ccc(C#N)c(Br)c1 1136557289 YGHGRUDDIFPCTE-QGZVFWFLSA-N 437.338 1.758 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1138181306 PWGBUKZUMHFLIA-IAGOWNOFSA-N 444.488 1.626 30 10 IDEE Cc1ccc(C[C@@H](CO)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C 1141822472 BUVFPSVJIUZRIC-SFHVURJKSA-N 429.542 1.842 30 10 IDEE COc1c(N)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(Cl)c1Br 1144428898 GDZZEKKSSXBHEG-SSZFMOIBSA-N 443.685 1.950 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1 1152967368 GNCADVLGOZCCKA-UHFFFAOYSA-N 431.489 1.630 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1179088141 NPSZZXZVBYSYCE-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br)C(=O)OC 1212123803 XUWYFXPXQXJDJV-GFCCVEGCSA-N 432.292 1.777 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 1218932890 YFZNJFARDZZJGK-UHFFFAOYSA-N 436.868 1.601 30 10 IDEE COCCOC1(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCOCC1 1225937281 IXGVMQLBRUTALF-HZPDHXFCSA-N 426.514 1.257 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CC1 1286365779 JDFWIFYGHGKOAX-NDEPHWFRSA-N 435.575 1.176 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1286369373 NTYNBIPPIWXOBK-UHFFFAOYSA-N 433.516 1.790 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1286386097 UTXOPMABKXUSSE-SQNIBIBYSA-N 430.578 1.877 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286388233 ZHKLOGHZAVNIDV-QGZVFWFLSA-N 425.518 1.172 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1 1286450196 OAEQNIHFRXXYCA-UHFFFAOYSA-N 432.576 1.884 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CC(OCC)C2)CC1 1286472734 DOXGCNLTPVKQHP-UHFFFAOYSA-N 425.533 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCCCCC2)CC1 1286493661 OUKQGNXHDHYYPK-IBGZPJMESA-N 429.565 1.833 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286507066 BNLYXIIRJMDZFK-UHFFFAOYSA-N 448.618 1.491 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 1286699628 FZRRSEQJUBFZTO-IBGZPJMESA-N 437.610 1.695 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1286749248 OAPZOXLPQCHNOB-MGPUTAFESA-N 449.602 1.913 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1288310832 BJSPZKHFLZLYIR-UXHICEINSA-N 440.495 1.830 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1290434519 HHPQWSCRFZFEPD-UHFFFAOYSA-N 429.521 1.754 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1296625008 DCJFLJJCKRBLTB-AKXBSKNESA-N 444.536 1.693 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)ncn3Cc2ccccc2OC)CC1 1297515914 DIUBVMSPRKIZCS-UHFFFAOYSA-N 445.523 1.600 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCN(c2ccccc2)CC1 1300472016 VNIRLRNDRMQXRX-UHFFFAOYSA-N 435.576 1.682 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1300777565 YQAZGMZLPKYAIT-SFHVURJKSA-N 445.545 1.183 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1)C1CC1 1301313072 WBXCNYYADWMGFB-UHFFFAOYSA-N 425.537 1.851 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cscn2)CC1 1301496437 AOWFLEYLDZTPMK-UHFFFAOYSA-N 438.561 1.729 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(Cl)c1 1301501694 ZTKOVQPRISIAMF-HNNXBMFYSA-N 437.953 1.772 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301608195 XLMOPLQCMKULEV-JOCHJYFZSA-N 425.537 1.487 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)CCCN2C 1301952747 NLLQCDYMIHRHBB-HOTGVXAUSA-N 445.593 1.915 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC[C@H]1C 1302293926 UEKZQYHTMTYORJ-GHDARCQNSA-N 432.569 1.853 30 10 IDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1303721463 DORAWSOCQLZNOM-QGPMSJSTSA-N 433.509 1.852 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC[C@H](CC#N)C2)C1 1313274302 FLSITKJOOKTXNC-HZPDHXFCSA-N 428.555 1.746 30 10 IDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1314532801 COHMGXJGSPWWRZ-LJQANCHMSA-N 434.522 1.571 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1314817953 ZPKCDMSTERBHRE-BWVDKLOVSA-N 444.536 1.909 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(C2CC2)C1 1315040180 CZKMXZUXMCSKRX-GOSISDBHSA-N 437.548 1.785 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1316296940 DUCAOQKSKMZOOH-SXTKRDDTSA-N 445.495 1.778 30 10 IDEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 1317760658 KKNOTSSHSPZMQD-QGZVFWFLSA-N 434.521 1.517 30 10 IDEE COc1ccc(-c2nnc(SCC(=O)NCCN/C(O)=C3/N=CC=CC3=O)o2)cc1 1318663258 DRRNIJAZASRARR-MSUUIHNZSA-N 429.458 1.480 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1358966817 XJUWCRMWTWNZTP-SFHVURJKSA-N 430.578 1.957 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC=CCO1 1358971529 YWVCVDNFJXECIN-SFHVURJKSA-N 438.557 1.965 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCC2 1359015315 PJUMPDLWRCTYGN-UHFFFAOYSA-N 436.495 1.781 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1359028527 VONKXMYHTOCAAF-JOCHJYFZSA-N 428.512 1.218 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cncn2)C1 1359060121 KZICTTOPYNBADO-SFHVURJKSA-N 425.566 1.939 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccccc1 1359137928 FMFJHANQXQGROP-IIBYNOLFSA-N 446.577 1.564 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359168299 OOBHPGSHRZBFIQ-OAQYLSRUSA-N 443.529 1.435 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1359749725 XVWIHAYXQFCIOT-DMEQXSTQSA-N 425.493 1.661 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1360469357 BETMJZOANDVGJW-KUHUBIRLSA-N 435.575 1.955 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 1452175573 KJMXUOQCCPGWNJ-SCWSEQNSSA-N 426.542 1.687 30 10 IDEE CS(=O)(=O)[C@@H]1CSCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1465321662 UBPNMPQFRMLTNY-OAHLLOKOSA-N 444.376 1.703 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1 1465842783 BLXREWFQEMZBGS-UHFFFAOYSA-N 431.445 1.427 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCCc3ccc4c(c3)OC(F)(F)O4)CC2)c1C#N 1470673144 BGMFYQPVTYPLFR-UHFFFAOYSA-N 432.431 1.996 30 10 IDEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1504186593 AGAAWDGCIMTCRL-HXUWFJFHSA-N 432.550 1.975 30 10 IDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 1505151232 CQSCAAQHSSVCRP-OLRZCDJHSA-N 433.559 1.351 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1507616468 JSTTUHDVFOEYHZ-CQSZACIVSA-N 433.925 1.188 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1 1507658491 LBPPSYHUFUHRJL-UHFFFAOYSA-N 428.500 1.898 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCC)CC1 1507739085 MKSWWTBATYRBGC-FQEVSTJZSA-N 439.516 1.793 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1507740523 BHSPLFGQRBQNQN-UHFFFAOYSA-N 439.607 1.284 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C 1507844971 UHPHKRLKHRCODH-ZACQAIPSSA-N 427.571 1.438 30 10 IDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1507851116 FSWSSGGAODKZRR-SFHVURJKSA-N 444.561 1.355 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1508142946 HNYYNFAVURCKNS-IAGOWNOFSA-N 437.566 1.007 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCOC1 1511971109 NKTCFBNXCBSBGH-IEBWSBKVSA-N 438.532 1.927 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1519428177 KTEFSSRIRVMIOD-DOXZYTNZSA-N 441.529 1.269 30 10 IDEE Cn1nc(C(F)(F)F)cc1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1534411340 HFBJHWCJHQXJAY-CQSZACIVSA-N 434.378 1.832 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1539219240 HGROPUDHGDUPHB-ROUUACIJSA-N 430.578 1.562 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539221626 QRVIEGZPMNXFTP-SQNIBIBYSA-N 447.561 1.305 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539336999 BIMJKLVOGBBUGB-SLFFLAALSA-N 445.589 1.797 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1539409200 RUMWIMIDMNYJIO-UHFFFAOYSA-N 447.543 1.540 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc([C@@H](C)OC)n2)CC1 1539427387 DAWNUEZXEOCGOB-OAHLLOKOSA-N 431.566 1.384 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1539430614 LZGCGMSXPJUSMQ-DNQXCXABSA-N 439.560 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCCO[C@H](C)C2)CC1 1539467135 NKYOWMOIVUYPKW-LJQANCHMSA-N 430.597 1.868 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539491071 LRGNTCMQXBGODB-QGZVFWFLSA-N 434.610 1.472 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1539733595 GVQQIJZEQFHELZ-HTAPYJJXSA-N 443.552 1.904 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1COCCO1 1541470890 FGVBDZRTGGWDFK-LJQANCHMSA-N 425.537 1.875 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C(=O)c3ccccc3C2=O)s1 1543910888 DCNIQTXXSZSFFQ-UHFFFAOYSA-N 433.511 1.167 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)c(OC)c1 1554872678 PIIRKIUJTFGKGC-SJORKVTESA-N 429.477 1.497 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1555197387 GEEWBUMHIMJFBM-IEBWSBKVSA-N 440.504 1.107 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2ccccc2Br)c1 1557012041 BJRJXLDOBDZNNC-QGZVFWFLSA-N 437.315 1.824 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CN=S(C)(C)=O)CC1 1558459091 SJDIZQZVLQWGDQ-CQSZACIVSA-N 426.564 1.191 30 10 IDEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H](O)C(F)(F)F 1559950996 FEWMOXATZRKXKQ-HOCLYGCPSA-N 434.484 1.329 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 1565346748 WSAAICLIRQYMOH-HSZRJFAPSA-N 439.604 1.754 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1566231308 FMTQYZAFRJWTPN-MRXNPFEDSA-N 437.541 1.511 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3nn(C)cc3I)CC2)c1C#N 1584063033 ZHCFGFHGWQOAPE-UHFFFAOYSA-N 442.286 1.624 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCn1ccnn1 1587662091 KOTMWYYZVMREBL-OAQYLSRUSA-N 447.591 1.783 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1587758521 BDKNZRPUVLJZIK-SFHVURJKSA-N 428.537 1.108 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1587823109 KAPPDMXWCLHAHD-SFHVURJKSA-N 444.561 1.324 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1588040884 REMBYOYMFZRHRN-GOSISDBHSA-N 439.545 1.311 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1588149422 RQTXCDDWYFUSEV-UHFFFAOYSA-N 434.525 1.227 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC(O)CC1 1588162585 VYWDBLOGDDXYIE-UHFFFAOYSA-N 440.573 1.189 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 1588872032 WEEZHTAXJMNVKI-QFIPXVFZSA-N 429.496 1.557 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589096579 FPOLPWSCZFRPLM-UHFFFAOYSA-N 425.562 1.418 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CCCO 1589142264 DRPNRPRNCFMJKB-WZONZLPQSA-N 437.548 1.764 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593840772 NWKPDFHEXLVAFM-UHFFFAOYSA-N 439.907 1.496 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595879414 WCJCBTVLAMVXKT-GOEBONIOSA-N 446.581 1.723 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 1596741997 SVLZUNYUFDCERF-SFHVURJKSA-N 441.594 1.957 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1610430579 LNUQJDSNGFXIQY-JQVVWYNYSA-N 433.553 1.989 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 1617364810 FKNNWVSNFNPCPF-ARFHVFGLSA-N 430.571 1.798 30 10 IDEE COCc1nocc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1619679080 FEDWUWQXPYOICR-IBGZPJMESA-N 445.480 1.894 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1619989618 HTJQWTSATJSETB-IKVWTGGYSA-N 438.548 1.943 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)ccc2OCC)CC1 1623032200 JRNPSLVRPDQVAJ-UHFFFAOYSA-N 445.339 1.465 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCC2)s1 1627682829 FSKLTOBRWAWUHM-UHFFFAOYSA-N 446.554 1.730 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)[C@H]1c1ccnn1C 1630234932 LSPQWXZNVZZJNY-RTWAWAEBSA-N 433.472 1.287 30 10 IDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCN1S(C)(=O)=O 1631778008 SBJLHJPHKOXFBJ-ZZPBVIFJSA-N 440.566 1.266 30 10 IDEE CCOC(Cn1ncc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1N)OCC 1632768780 JIDYDQVUKCCJGP-SFHVURJKSA-N 440.504 1.661 30 10 IDEE C=CCN(C)CCN(CC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1634647040 VOBRHZZEKHJKPJ-FGTMMUONSA-N 443.610 1.623 30 10 IDEE COc1ncc(Br)cc1CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1637012536 REJDDMVMRQGPSM-GFCCVEGCSA-N 446.309 1.935 30 10 IDEE C#CCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 1638678569 MURZHYZBBVJNRA-KRWDZBQOSA-N 439.965 1.625 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CCO2)cc1 1639637739 FEZONXVPPQZVTG-SFTDATJTSA-N 426.517 1.171 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 1640588336 IWPCLXQJAULUKU-FQEVSTJZSA-N 425.457 1.267 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C2 1648576755 CZLOOOUEMATVGN-WMLDXEAASA-N 441.561 1.892 30 10 IDEE Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c(C#N)cc1[N+](=O)[O-] 1654950745 NRUKDFLCBHBFMG-UHFFFAOYSA-N 441.469 1.780 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc4c(c3)C(=O)CCO4)C2=O)cc1 1655204506 HLPQQMXPQKIQHP-SFHVURJKSA-N 425.466 1.603 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 1683988600 HFWUIMSGPMWHPI-XLIONFOSSA-N 442.564 1.279 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689993213 XXTSXJALYFZCSL-SFGWALBWSA-N 443.573 1.442 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)C 1690088459 LZPLDLDBKZCJLI-JOCHJYFZSA-N 429.496 1.797 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCOCC2)CC1 1690128613 HELCFSXXGOGCJO-UHFFFAOYSA-N 438.576 1.355 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3CCOC[C@@H]3C2)cc1 1690678490 YDBBBSZXQAHZTO-IBGZPJMESA-N 440.548 1.550 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1691032476 LWSLRFAAFOAJJU-INIZCTEOSA-N 427.465 1.744 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCS(=O)(=O)C2)CCOC1 1692586667 NHMDPJHGBKVJFY-SQGPQFPESA-N 439.582 1.882 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1695159817 ORXKICBZJFMLBZ-YLEKHRKWSA-N 430.509 1.661 30 10 IDEE CCOCc1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696302652 ZIEOMVMANCRPIO-CZIZESTLSA-N 439.476 1.004 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccc(F)c1 1705551258 KIMLAESSYQTNDK-GOSISDBHSA-N 449.552 1.797 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705567280 VITXSHRQGDFVHJ-MKXGPGLRSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1705598511 KZDYIAJFICDGQB-ZWKOTPCHSA-N 429.546 1.539 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1705637710 JDIAUIQHAMZFOJ-OAQYLSRUSA-N 434.523 1.932 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1705641350 BVSSHDBNWOOFMK-UHFFFAOYSA-N 435.619 1.899 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705724349 HWWVTQQWYSRSAH-LJQANCHMSA-N 426.569 1.542 30 10 IDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705757972 FVLDAEOLFRGWON-ZDUSSCGKSA-N 435.941 1.578 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705882320 SVMPYRQOUUUTII-GOSISDBHSA-N 444.561 1.737 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@@H]2C)cc1 1705910145 SNCCWCANRVNSLA-JKSUJKDBSA-N 435.550 1.727 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1706941909 DPZZAVGJFIDXDU-XOBRGWDASA-N 445.524 1.626 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1 1710989194 BIWPGQZMZMONIM-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1711121429 DLDQRWFXFYNYKK-UHFFFAOYSA-N 443.558 1.945 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1712166877 ASNLWRRBRMVSGB-AZUAARDMSA-N 428.512 1.960 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCOCC(F)F)cc1 1712880348 GDEQIDGMJSBIDG-NRFANRHFSA-N 446.458 1.727 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1722290717 AXEWVGCZMYSYCK-OAHLLOKOSA-N 440.529 1.251 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1 1722302179 PWSHGXCUFKNWRM-FQEVSTJZSA-N 432.576 1.883 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCOC1=O 1722344089 LZKDMFIOGRREIA-UHFFFAOYSA-N 445.549 1.458 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1722360128 DGGJEPCSWDCHRQ-CQSZACIVSA-N 429.531 1.175 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2)N(C)C)CC1 1722442286 YBELWADTTINGRE-NRFANRHFSA-N 435.576 1.459 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(C)C)CC1 1722445546 YKFKPFWKHDBFOQ-MRXNPFEDSA-N 438.598 1.290 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1722445657 VOHJGCYFEZYBCU-HJPURHCSSA-N 441.507 1.590 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1722445662 VOHJGCYFEZYBCU-WAIKUNEKSA-N 441.507 1.590 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC=CO1 1722446698 JCRCKTFDILVWQF-KRWDZBQOSA-N 434.500 1.971 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCOC2)CC1 1722566466 RXWTXRMRFORMOD-IAGOWNOFSA-N 425.555 1.194 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722693297 JJZURZDOBMRJKB-OPAMFIHVSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1722699058 BCCQXSADHXPISZ-UHFFFAOYSA-N 426.521 1.043 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNC(C)=O)C1 1722715332 OHBVLAZXWIJRAD-SFHVURJKSA-N 447.561 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn(C)c1 1722732410 YQUKXJBSQYHFOG-UHFFFAOYSA-N 427.490 1.807 30 10 IDEE CC(C)c1nnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723149690 DKGNMVOJETUHPZ-XKONBMNXSA-N 444.536 1.702 30 10 IDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cnn1C 1724147316 BURBKHFNATWUEF-JOCHJYFZSA-N 434.504 1.521 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1CCCNS(C)(=O)=O 1729397434 SQHFVQZXWJCORS-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1729673618 ZIASTQXBLMMDNT-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c(OC)c1 1730151355 BCQVHQJEXAUPIR-KBPBESRZSA-N 436.538 1.692 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C1CC1)N(C)C 1730325093 FLNYDIZFESMRMF-QZTJIDSGSA-N 426.521 1.935 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C#N)CC1 1731007856 AQIHCJWJVZVNJT-UHFFFAOYSA-N 438.941 1.795 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1740591329 OICKQRNCUXJZQX-IBGZPJMESA-N 447.536 1.726 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1\N=CC=CC1=O 1740602864 XZINHXQGAPNGSS-LSDHQDQOSA-N 442.483 1.931 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1740625758 SMBJOPRWGJXARP-GOSISDBHSA-N 433.578 1.164 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2[C@@H]2C[C@H]2C(C)C)CC1 1740705962 OXCSKKNBIJKABN-OKZBNKHCSA-N 433.578 1.363 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740715436 AFTPMZOQFAPOJS-ZSDSOXJFSA-N 446.577 1.699 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740716085 LAJQTFVYCSETTJ-KRWDZBQOSA-N 436.545 1.189 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740762876 WTDWVSGSXZZBGZ-CTASWTNQSA-N 429.443 1.978 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1740988266 YWWZPBBUIZLLLH-KDURUIRLSA-N 434.562 1.958 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CCCCCO)CC2)c1C#N 1742670108 WMLQUHCDBHHETM-GOSISDBHSA-N 428.541 1.532 30 10 IDEE CC[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1743654470 DJUJMONYUVZNLG-DYVFJYSZSA-N 425.490 1.341 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1748717893 LEKIKDVNUXWUNK-KRWDZBQOSA-N 436.538 1.347 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC(C)C 1748831731 WELUWOJIWPCFGH-UHFFFAOYSA-N 430.490 1.254 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1748988746 AECUQJYKZIOBRC-IBGZPJMESA-N 443.573 1.401 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCC3)C[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1749681511 CWXDYJDAVNQNAR-FDDCHVKYSA-N 446.596 1.543 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749703343 GQLYYLDETLMKEV-GHTZIAJQSA-N 443.529 1.148 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1750145843 BATZCNXHNRNLPU-DHSIGJKJSA-N 444.458 1.811 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750630788 YQDHPGQXRWRCGC-BSBNDGSWSA-N 437.504 1.981 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760184972 NETCWQXOJQIODP-SJLPKXTDSA-N 448.570 1.007 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1760196497 OVLNKBHTNQBZNN-FXAWDEMLSA-N 439.482 1.887 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCN1CCCS1(=O)=O 1760214093 BOUXZELCECADHM-UHFFFAOYSA-N 448.552 1.992 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1760224192 BBOAVARMVYJJLC-UHFFFAOYSA-N 426.912 1.912 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCN(CC)CC1 1760247558 GFTFBAJYYKGJKP-HXUWFJFHSA-N 425.581 1.761 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1760260387 QJQCXDMQFUHEFT-UHFFFAOYSA-N 444.543 1.678 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCS(C)(=O)=O)CC1 1760262137 IJZITHHWJYLQHA-UHFFFAOYSA-N 431.562 1.067 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760680810 QSSCDLCBAIJUNV-SFHVURJKSA-N 425.493 1.581 30 10 IDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)c(=O)n1C 1761781890 FCIZEBVHGWCCHZ-UHFFFAOYSA-N 447.543 1.641 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCC(O)CC2)cs1 1762284299 VFLDHEWBIVGMQZ-FQEVSTJZSA-N 433.557 1.923 30 10 IDEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1768743784 GCGMGAGUVIAOCW-UHFFFAOYSA-N 430.490 1.788 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1770157956 YBJKGYBAJCPFKZ-MSOLQXFVSA-N 426.477 1.414 30 10 IDEE CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1770340937 YNZOHSXTYOIKPB-MSOLQXFVSA-N 442.545 1.189 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1770726831 AIQHWAOKURDJHP-IIBYNOLFSA-N 425.468 1.030 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1849645047 LTHQGFPLOQNVFS-LJQANCHMSA-N 443.504 1.594 30 10 IDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N(Cc1cccc(F)c1)c1cccc(F)c1C#N 1853067586 XXFASLHCJCDPNX-IBGZPJMESA-N 433.436 1.973 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC(C)C)CC3)CC2=O)CC1=O 1855618210 KUKVEDUPGNAVOO-ROUUACIJSA-N 439.578 1.094 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](CN3CCC(CC#N)CC3)CC2=O)cc1 1857248551 UIHQSFXRYSWWCX-KRWDZBQOSA-N 432.546 1.551 30 10 IDEE O=C([C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(CO)CC1 1869928438 YCIVKCTYRKSUGE-LJQANCHMSA-N 427.526 1.567 30 10 IDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1891325568 JGFNOYGALDSAFO-IBGZPJMESA-N 449.533 1.490 30 10 IDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891737357 SZAQIOHFZAZCRP-XLIONFOSSA-N 448.545 1.694 30 10 IDEE C#CC1(Oc2nc(C)nc(I)c2N)CN(C(=O)OC(C)(C)C)C1 1986528528 BACQADJHHAANGU-UHFFFAOYSA-N 430.246 1.973 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2047135943 RMXLUMPLFJYSAD-UHFFFAOYSA-N 431.342 1.550 30 10 IDEE N#Cc1ccc(I)c([C@H](O)C(=O)O)c1I 2060282353 IZUDFNUIJZZIPJ-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE CN1C[C@@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2132679505 XYKKQQOKHPHMCO-INIZCTEOSA-N 449.357 1.854 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC[C@@H]1NC(=O)C(F)(F)F 2255635204 FORRSHMSFIRQHG-MNOVXSKESA-N 447.288 1.971 30 10 IDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2255653101 DVXSKEOEHKJGTK-UHFFFAOYSA-N 435.334 1.869 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(=O)NC)Cc2ccccc2)n1 2255831888 DJYLUHQYCWPLAD-UHFFFAOYSA-N 426.326 1.591 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255858554 ROZURLZIQNIZJZ-CHWSQXEVSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2259345096 CGYYUAFMACQDTN-HIFRSBDPSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267091102 OZKCGLJENPXVOC-UHFFFAOYSA-N 447.305 1.147 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2267133081 YDGKGYLUYOSAKY-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2267197409 YJZUSEFFNPYKPX-MIFYACCESA-N 446.357 1.797 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 2267602551 OLHFIFQJOMUEJB-GOSISDBHSA-N 439.369 1.756 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267613858 GFJDTYRAXCMAPO-JKSUJKDBSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268764449 BABHBQAPMLRVHV-BBWFWOEESA-N 448.325 1.265 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](O)C(F)(F)C3)cc2Cl)OC1(C)C 2282846366 IORURNUDOIUZBQ-SECBINFHSA-N 429.703 1.701 30 10 IDEE COc1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2317500974 AJYPSXBZUZEJCO-GJZGRUSLSA-N 435.330 1.203 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c(OC)c1 2329013033 GLIWDRLZYSNCOC-CQSZACIVSA-N 446.533 1.479 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330707558 YHJVWQHNBCCLJG-UHFFFAOYSA-N 449.493 1.371 30 10 IDEE C=CCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 33363058 SJDHYYOCYFUGRR-WYMLVPIESA-N 432.527 1.503 30 10 IDEE CCOC(=O)[C@](C)(NCC(=O)Nc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 430273461 NMCJGIJCAQJVSG-OAQYLSRUSA-N 429.498 1.968 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 460992974 YKBBGZLABZBJAE-UHFFFAOYSA-N 440.529 1.525 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)nn2)cc1 472086749 XVUUWPAIAURANB-UHFFFAOYSA-N 435.492 1.221 30 10 IDEE CNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cn1 473946758 TYTLLPILADPWRV-OAHLLOKOSA-N 431.499 1.015 30 10 IDEE CN1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488885119 LKFJGYVJCOWSLC-OAQYLSRUSA-N 442.516 1.981 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)s1 521297583 NBAWOCQAXJFHKR-CQSZACIVSA-N 429.567 1.494 30 10 IDEE CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)[C@@H]2C1 537243195 NVTDUTDWUGAYBX-CZYKHXBRSA-N 430.524 1.803 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 559003315 AJPABWHVAWUSTP-UFYCRDLUSA-N 446.596 1.569 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCn4ncc(C(=O)NC(C)C)c4C3)cc2C1=O 560728749 RSBGACXOOGCBRY-HNNXBMFYSA-N 449.511 1.796 30 10 IDEE CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 582212209 WZHVFWYMIAYTBA-UHFFFAOYSA-N 427.530 1.946 30 10 IDEE CC(C)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2ccccn12 726165801 HNBPZYHYPJDCJU-SFHVURJKSA-N 426.502 1.671 30 10 IDEE C#CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1 728572310 AGVWJKLRYSOMTQ-UHFFFAOYSA-N 427.530 1.124 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(C)ccc1F 729668795 DMATTWVDRWYGSK-UHFFFAOYSA-N 433.468 1.243 30 10 IDEE CCOc1ccccc1C(=O)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465483 GBSSHAFPIDNQCD-FMQUCBEESA-N 441.488 1.079 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2nn(CN3CCN(C4CC4)[C@H](C#N)C3)c(=S)n2c1 732671898 AYFUPWCQKSOHFQ-MRXNPFEDSA-N 449.606 1.525 30 10 IDEE N#Cc1ccc([C@H](OC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(N)=O)cc1 734562002 OKOVFHKVZPJSBR-IBGZPJMESA-N 427.482 1.729 30 10 IDEE C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1ccncc1 749774761 BDTYHNBYJVAVIK-QIRSZLOZSA-N 443.529 1.753 30 10 IDEE CC#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757213228 SJRKZAHNKAWQPA-OAQYLSRUSA-N 448.475 1.965 30 10 IDEE COC(=O)c1cccc(N2CC(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)c1 759725204 SVTTVPDVFGVMER-UHFFFAOYSA-N 434.456 1.288 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 761959902 FKUZZSKASCRWAU-VXPUYCOJSA-N 434.456 1.331 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)ccc1F 773967167 KJMNHRBLDAFANE-UKRRQHHQSA-N 427.498 1.887 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2cnn(CC3CC3)c2)c1 777608176 CNNLGICRZQWUQN-DYTRJAOYSA-N 437.547 1.907 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)n1 788675227 LPVKXLBFQYLUCE-UHFFFAOYSA-N 425.489 1.732 30 10 IDEE Cn1ncc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)[n+]2cc(O)cc(Cl)c2)n1 789400391 BMKJGBYTCDWKRD-UHFFFAOYSA-O 431.885 1.968 30 10 IDEE C=CC[C@@]1(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 790608752 ZGPMVPKNUANACL-QFIPXVFZSA-N 436.553 1.529 30 10 IDEE COC(=O)CN1CCN(c2ccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)cc2)CC1 794019673 WVFVMZJPYQQHRH-UHFFFAOYSA-N 429.502 1.358 30 10 IDEE C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 810530765 GASBOFLQUOBOQA-UCIXUQDCSA-N 429.476 1.477 30 10 IDEE COc1ccc(-c2nc(S[C@@H](C)C(=O)N(C)CC(=O)NC3CC3)nc(O)c2C#N)cc1 857991841 OQIUPLXJKHMAEL-LBPRGKRZSA-N 441.513 1.947 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)nc2)c1 1125189291 RDZHAAVAMIOEHP-PGMHBOJBSA-N 436.515 1.550 30 10 IDEE C#CCN(C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)[C@@H]1CCS(=O)(=O)C1 1125953580 HVNGTBCOKUWONO-XQBPLPMBSA-N 430.526 1.684 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)cc1 1141940341 XJZNIRSUXSACRV-UHFFFAOYSA-N 442.419 1.977 30 10 IDEE COCCn1c(NC(=O)c2cccc(C#CCO)c2)c(NCc2ccccc2)c(O)nc1=O 1143450936 URCHICSOHLSDDH-UHFFFAOYSA-N 448.479 1.804 30 10 IDEE Cc1c(Br)c2ccccc2n1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1148393331 XURODNWLVPKVGE-UHFFFAOYSA-N 430.262 1.663 30 10 IDEE C[C@H](CC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1159047867 RSTSTFVEAMIYGN-MGPQQGTHSA-N 438.550 1.922 30 10 IDEE Cc1cc(NC(=O)CSCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)no1 1161796977 HTCKPACZTYNBSG-UHFFFAOYSA-N 432.458 1.559 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)c1 1194822287 SKUPEGWVOBWCCU-CYBMUJFWSA-N 443.451 1.797 30 10 IDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nn1 1214355225 WLCLTUKNBQCPJL-GJZGRUSLSA-N 434.522 1.584 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc21 1220204405 LXFAAUQTDOXLNP-LJQANCHMSA-N 434.500 1.947 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)nn1 1230272558 WYBSDTVKCJXWNZ-GOSISDBHSA-N 430.534 1.531 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1286324789 RHPPBBHLADNSMZ-ZWKOTPCHSA-N 439.582 1.420 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1286349523 ZMRKTVVNRCETPK-MRXNPFEDSA-N 435.488 1.349 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1286404163 NTWIMLPQUHETGV-HXUWFJFHSA-N 446.324 1.986 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCOCC1 1286441568 ZPQRPTAICBAYKJ-SFHVURJKSA-N 435.536 1.349 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286462772 VNKKPHWIJSQLKC-GOSISDBHSA-N 448.531 1.490 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286506480 JADYGWDQVQHUKM-HZPDHXFCSA-N 432.550 1.011 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NC)c2)CC1 1286651638 HUOZAJMEHSEGNY-HNNXBMFYSA-N 446.577 1.699 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286788778 FZYSLFXHCLWCCT-IBGZPJMESA-N 439.564 1.555 30 10 IDEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1294147719 JAOXTWXMWGRFKE-KRWDZBQOSA-N 437.504 1.066 30 10 IDEE CC(C)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](O)C(F)(F)F 1297774011 XVOUIOXFXYSFQU-BPUTZDHNSA-N 426.395 1.827 30 10 IDEE C=CCC[C@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1298020940 OTFZMAAQFWPGLV-ZWKOTPCHSA-N 428.489 1.550 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1COCCO1 1300558787 BUKVSWQCMKUWPM-MRXNPFEDSA-N 432.322 1.924 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1300708160 PHNAVXWEWBYYSK-UHFFFAOYSA-N 448.556 1.887 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)C 1300874712 NMPAFRNXBKFKTF-LPHOPBHVSA-N 441.536 1.867 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@@H]1C 1301381283 YDDVBPMJFFWZKY-IERDGZPVSA-N 446.577 1.957 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(S(C)(=O)=O)CC1 1301484645 JJFOWIOIBTYPMA-UHFFFAOYSA-N 444.517 1.075 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1301500867 QDMXTCWVTYPZEJ-ZWKOTPCHSA-N 432.569 1.955 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N(C)C)c2)C1 1301539746 WHSRPEOUHGWIRY-LPHOPBHVSA-N 448.593 1.784 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1301579164 OUYQIPCIDHHZAM-OAHLLOKOSA-N 442.545 1.349 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CCO1 1301897907 ADTBTZSOHRXVRZ-FQEVSTJZSA-N 434.504 1.363 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1301968640 NWVJMENCFNCGTM-JKSUJKDBSA-N 429.525 1.633 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 1303595157 CDZQPIWCDBCEDK-HOCLYGCPSA-N 445.549 1.134 30 10 IDEE COCc1ccc([C@H]2COCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)o1 1303873540 FAAWSQYLNVYIHD-KBXCAEBGSA-N 433.486 1.565 30 10 IDEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1305851402 IBZWGAAZOWWEGC-UHFFFAOYSA-N 426.521 1.839 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 1312487119 VOFIOALTOPWCHF-MGSYBHFQSA-N 440.500 1.854 30 10 IDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1312682287 DNKWIOXLWNHWRV-GOSISDBHSA-N 444.536 1.811 30 10 IDEE CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1353741757 YYKNBQODROXHOT-MRXNPFEDSA-N 430.571 1.894 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358962943 ZLXVUNZVFBRIMR-RHSMWYFYSA-N 449.483 1.182 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1359035901 HZGQNFNASFMYFA-UHFFFAOYSA-N 446.596 1.916 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CC)CC1 1359041551 AMQNWJZFJZCUBZ-DHIUTWEWSA-N 447.580 1.446 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359044255 AOEQELWYNCOKQV-PMACEKPBSA-N 429.565 1.953 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359126047 CNNILOXMTMFNSM-UHFFFAOYSA-N 430.553 1.602 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1359130662 SHHUYHHIQVRUEC-UHFFFAOYSA-N 429.521 1.841 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1359133259 OFKIBDJIHORSHN-MRXNPFEDSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1359306451 GVCVOPWYGIKHAX-IEBWSBKVSA-N 438.532 1.921 30 10 IDEE COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1438824550 WDANBQZHMYHEIO-UWJYYQICSA-N 426.558 1.769 30 10 IDEE C[C@H]1COCCN1C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1450520673 DDIUZMLRXGINOI-JXFKEZNVSA-N 439.516 1.475 30 10 IDEE O=C(C1=NN(CCO)C(=O)CC1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456584730 GRZCPJFHEZQUKN-YUMQZZPRSA-N 437.287 1.587 30 10 IDEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N1CCCC1 1462065832 OTRGEQNZXYCZRR-UHFFFAOYSA-N 446.573 1.724 30 10 IDEE CN(C)C1CCN(CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1463244353 DKJMKTPQGZWKAG-UHFFFAOYSA-N 433.347 1.764 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1464928441 XSWUGMJARZVNMN-VBLIQDEYSA-N 438.484 1.678 30 10 IDEE N#C[C@@]12CN(C(=O)NCCC(=O)Nc3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1478727849 MKNGGQGVJVBYCJ-GTNSWQLSSA-N 445.328 1.902 30 10 IDEE C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479379461 WGFMIRUOMCIPLQ-HOTGVXAUSA-N 425.526 1.946 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)c1cccc(O)c1 1492830199 GOMCNGQVJGKUNT-UHFFFAOYSA-N 433.472 1.647 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCc2n[nH]c(C)n2)c2ccccc2c1=O 1502361490 HEBYFXLBVWDQCD-AWEZNQCLSA-N 446.519 1.940 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1507635896 WCDOBTTUSKIICS-LJQANCHMSA-N 436.541 1.642 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1508152985 VQNYFNKLZVYBLA-MRXNPFEDSA-N 442.655 1.872 30 10 IDEE CC(C)(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1510284872 GRDOHEMFXWFNFN-QHCPKHFHSA-N 437.548 1.969 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1512422037 VFOKBHSNQDVDAZ-OVDVQJHRSA-N 447.499 1.957 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC2(O)CCOCC2)c1 1539039758 HFMMIXRZNVWARC-UHFFFAOYSA-N 434.500 1.871 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539430737 MXSBNWPGDSXWFV-AZUAARDMSA-N 432.569 1.016 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)CCC(C)C)CC1 1539481593 MMVDSZBEGGVDJK-XXBNENTESA-N 431.581 1.935 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539526003 BBAHMSOHMUQPQH-HXUWFJFHSA-N 443.573 1.873 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539903072 QZBGNKGEXUQXSR-QGZVFWFLSA-N 441.536 1.869 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539977225 KPHULOZTOMADEK-QGZVFWFLSA-N 429.569 1.269 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540868090 RJBFNGQSCVXCBD-UHFFFAOYSA-N 434.426 1.821 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1540869477 OKKKQJPHMRORRY-UHFFFAOYSA-N 442.495 1.324 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC)C(=O)C1 1540902936 UQDXNXBDTBLKON-INIZCTEOSA-N 425.555 1.179 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1541115903 GSGMGIZAFHMCMD-LSDHHAIUSA-N 443.595 1.133 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1541798040 APEOVWYDDWXQIV-CQSZACIVSA-N 433.538 1.877 30 10 IDEE CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978164 IISQKZIMJSVBSO-VZCCSQPZSA-N 426.473 1.676 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1546315994 ACCZDWXEQNITSA-PGRDOPGGSA-N 427.505 1.954 30 10 IDEE CCc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cs1 1546371840 AZKACGRCSGMYIZ-DZGCQCFKSA-N 436.563 1.171 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1554349704 GEFNXCOLYSFNMU-GDBMZVCRSA-N 439.442 1.275 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(N)=O)nc1 1555744515 YSUSYFTVUMEVOY-HKUYNNGSSA-N 439.520 1.674 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CCCCC1 1558806443 PIMUHRLMUMIHGS-INIZCTEOSA-N 431.493 1.677 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C#N)c(C)nn3C)CC2)cc1 1586990848 HLODCJNHSFFBLH-UHFFFAOYSA-N 429.502 1.842 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1587673068 KKWIQGKSRAQKHS-YOEHRIQHSA-N 426.477 1.312 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC(=O)NC)c1 1587696769 ANVPQRKDFSDOTI-UHFFFAOYSA-N 431.500 1.456 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NCC)CC1 1587739306 VAAPRPDXNHOSLB-UHFFFAOYSA-N 448.535 1.576 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1587808638 URPJAIMTGUTISH-RDJZCZTQSA-N 432.525 1.182 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588064865 QJMIAJPIYASSGD-RBUKOAKNSA-N 429.546 1.317 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1588109843 PLEWMBHNNYDHRQ-UHFFFAOYSA-N 429.488 1.039 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCn2nc(C)nc2C1 1589306148 XTMUFWZPXWMFRU-GFCCVEGCSA-N 426.319 1.831 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1593625371 SRRGCJDGRYZAHY-OTWHNJEPSA-N 443.596 1.622 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1594961868 GIVDFCPSBGZLQQ-SJORKVTESA-N 426.587 1.108 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C=C)CC1 1595798033 LMYPRDNBPQJBHV-MRXNPFEDSA-N 428.580 1.183 30 10 IDEE Cc1noc(C[C@H]2CCCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1611478916 OQGDGPONOYHITC-AEFFLSMTSA-N 436.472 1.936 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C 1615871683 FEMMPNKQJVGSOY-PMAPCBKXSA-N 440.548 1.799 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1617618784 BTKVHXPOMKZHJW-LJQANCHMSA-N 447.499 1.870 30 10 IDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1618712277 BNEKLWQIKICNNI-UHFFFAOYSA-N 440.518 1.355 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1620176547 FPRGWQUHMAFCRJ-LJQANCHMSA-N 444.561 1.619 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(C4CCCC4)n3CCOCCCO)CC2)c1 1620352594 YSYLRMZAEGDYNR-UHFFFAOYSA-N 425.537 1.928 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)nn1 1622441452 MIEDYIBOEMNUQJ-RBUKOAKNSA-N 449.533 1.310 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCN(S(C)(=O)=O)CC3)C2)C1 1629405050 SGTRQSCUHGQHFC-LFDOHDQPSA-N 440.566 1.267 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)nc1 1629976305 FWRGEYSCUBTBTJ-UHFFFAOYSA-N 430.486 1.587 30 10 IDEE C#CC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1630043730 RHPVJICLIVBSNT-HNNXBMFYSA-N 426.560 1.274 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H](C)C1 1631772541 MIOWPAHBVKHUAC-AWEZNQCLSA-N 449.349 1.853 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(C#N)CCOCC3)CS(=O)(=O)[C@@H]2C1 1640487279 ORZPLIPCPYQDHW-BZUAXINKSA-N 441.550 1.093 30 10 IDEE N#Cc1cn(CC(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)c(=O)nc1O 1642858481 CLGSMKVPXZZAIE-UHFFFAOYSA-N 436.375 1.920 30 10 IDEE C#CCNC(=O)CN1CCN(Cc2cc(C)c(I)cc2C)CC1 1645867094 HHOISYQCAFOGAG-UHFFFAOYSA-N 425.314 1.775 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@](C)(CO)Cn1cnc2ccccc21 1647941795 JKJDHGZUZIUIGZ-VFNWGFHPSA-N 441.513 1.142 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1653851871 HSKCWORCJAMQHR-HXUWFJFHSA-N 427.526 1.780 30 10 IDEE C#CC1(O)CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 1654346634 XWQIQHKNTMWHDK-UHFFFAOYSA-N 435.546 1.268 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)C1 1671494574 ALZDSIYDFNHQGC-XIRDDKMYSA-N 434.518 1.714 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1689888984 WEUFCLDAZDIJOD-MRXNPFEDSA-N 428.566 1.909 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1689986296 MVXNCJROQHPLPL-DYESRHJHSA-N 430.530 1.032 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ncn(-c2ccccc2)n1 1689998265 HIZKRGLHMIPUAJ-UHFFFAOYSA-N 430.516 1.898 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)C 1690031258 DWDHWBYQZXQNDB-UHFFFAOYSA-N 426.908 1.413 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1690123998 CBRNASYCQAHKFW-VAMGGRTRSA-N 449.621 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCCN2CCOCC2)CC1 1690146096 FTHRBPCMVWCUHY-UHFFFAOYSA-N 430.597 1.555 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690153987 GIXPXTQLNGWESJ-UHFFFAOYSA-N 444.609 1.229 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1690596949 FICBJHRHSUNFCI-SJORKVTESA-N 441.623 1.933 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)S[C@H](C)C1 1690714822 VZHVEKKRLIDKND-GASCZTMLSA-N 427.596 1.445 30 10 IDEE CC1(C)COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1692842566 CKXDNDUESXRYFM-QFIPXVFZSA-N 429.569 1.755 30 10 IDEE CN1C(=O)C[C@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)CC[C@H]21 1696848312 QRXASVUQQHCSLP-MNGLYYNBSA-N 441.536 1.159 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1698304465 UREVLDKSVQRPBT-FQEVSTJZSA-N 428.518 1.110 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(CC)c1 1705580842 RNQQGAMHIYYFOS-UHFFFAOYSA-N 436.545 1.576 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1705661516 DARKOSUMQFXELK-QGZVFWFLSA-N 441.623 1.604 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705703227 RZGRWYPVXMGPRB-SCTDSRPQSA-N 426.583 1.852 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1705703774 OUVDCSFCGJNWTC-OXQOHEQNSA-N 443.552 1.391 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705807077 SQGPRAUVMYLRKW-RTBURBONSA-N 443.596 1.718 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1705880624 KWNZZBKYGCJSHO-WBVHZDCISA-N 433.534 1.492 30 10 IDEE C=CCn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705893521 LPNYVTPJMCBINT-QHCPKHFHSA-N 446.596 1.687 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705900859 RVSQLRRBEBDARF-SFHVURJKSA-N 425.537 1.252 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CNC(C)=O)CC1 1705904888 BHYKELUFBKVWGC-UHFFFAOYSA-N 428.512 1.663 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(CN2CCOCC2)CC1 1705937096 INQQTFBUSOQTNZ-UHFFFAOYSA-N 437.610 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](F)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939016 PPYLCBJICRQTMP-GJYPPUQNSA-N 430.546 1.714 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1706079704 PWPQCUAFFSYTHR-LSDHHAIUSA-N 428.584 1.104 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO 1706753587 GQVCTYRRSAANGD-QFBILLFUSA-N 425.537 1.364 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(F)F)c1 1706891484 VPCIJGVPNOMQPO-DOMZBBRYSA-N 440.476 1.603 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1711026118 FOQSBKDTPWDHSQ-IAGOWNOFSA-N 442.545 1.355 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1712688850 FCYUGPUFXBEDBT-GOSISDBHSA-N 449.602 1.946 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722366159 QASDQLZMHWZGJP-QFBILLFUSA-N 434.537 1.917 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1722384463 WFMKQLQFAQGHIG-KKSFZXQISA-N 446.960 1.814 30 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C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1740646358 WUHQEFKEQFPQRA-GOSISDBHSA-N 435.594 1.948 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1740665842 SBWCONCYMFHWOU-SFHVURJKSA-N 433.520 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)CCOC)CC1 1740700748 GOQNMNORNPRTLI-UHFFFAOYSA-N 432.569 1.445 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)N(C)C)CC1 1740706726 AQNQBTGLAWMQCE-QGZVFWFLSA-N 426.540 1.924 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740721189 ZWZSFNLSKFSPTK-UHFFFAOYSA-N 447.568 1.988 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(N)=O)C1 1740750324 BHFAVNLAYBLRRW-JZXOWHBKSA-N 432.569 1.879 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cn(C2COC2)nn1 1740769144 RSWWCXWILAVIAS-NRFANRHFSA-N 431.541 1.932 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2OC)CC1 1740818955 ZIEKTRXAUJOLHJ-AWEZNQCLSA-N 436.538 1.505 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nncn2C)C1 1740985640 RXMRPYGPHYJLKZ-GOSISDBHSA-N 425.493 1.824 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1741003623 YQXYAOKUDXEALF-HZPDHXFCSA-N 429.612 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(O)CC1 1741219019 HVPMSELKQJFFGU-MRXNPFEDSA-N 432.525 1.851 30 10 IDEE C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1741849646 GZLJCPBLCOIGKK-ZHALLVOQSA-N 439.568 1.847 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1741904678 BYLCVROZNNZWJX-JLTOFOAXSA-N 432.550 1.557 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1744875631 SVMAUSLVPAZMJO-DAYGRLMNSA-N 448.549 1.749 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)[C@@H](C)CC 1748672347 SIRLOFPILLADHL-NXOAAHMSSA-N 427.571 1.130 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748685082 URDIJCFXVIQQBF-INIZCTEOSA-N 441.536 1.113 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nnc2n1CCCCC2 1748875690 UNDQAYOHSOSCRY-RXVVDRJESA-N 437.548 1.636 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(C)CCCO2)n1 1748971047 BJHFTUHDPCHWQB-GCJKJVERSA-N 441.536 1.281 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)OC)CC1 1748986925 MJPYZXJUJATVHP-MRXNPFEDSA-N 431.566 1.028 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)COCC)CC1 1749010788 XHHCTOZGWHENEP-KRWDZBQOSA-N 430.553 1.258 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749211127 SYGROTLREUBSGW-GOSISDBHSA-N 427.553 1.909 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1749573619 QTYKJOXVNSASGF-UHFFFAOYSA-N 436.516 1.912 30 10 IDEE COCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749656151 LJJNMOYGQGBNKE-AEFFLSMTSA-N 436.582 1.173 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1749666054 FQMXWBPMVXMRBC-UHFFFAOYSA-N 443.515 1.544 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)C[C@H](C)C(=O)NC 1749666584 NDLOASYKMGWRHE-HNNXBMFYSA-N 437.504 1.721 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749668625 BCRFOLQFXFOYMN-HUUCEWRRSA-N 430.475 1.547 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749677235 SGEFPUZZTBGTIT-OAHLLOKOSA-N 429.506 1.502 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)NCCC)c1 1760125346 HPMPJYSPFALZII-UHFFFAOYSA-N 433.516 1.866 30 10 IDEE C#CCCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760154496 VOXNPNDCMAMUAM-UHFFFAOYSA-N 433.582 1.443 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1760215333 WYIFIRPRHBMMKU-UHFFFAOYSA-N 447.499 1.636 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1760220370 ZUKDAXNKRFPBEW-INIZCTEOSA-N 449.483 1.688 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1760241717 HNVVFJYQOOJORD-XLIONFOSSA-N 440.523 1.729 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1760498993 LHRNLENZDFUESV-GOSISDBHSA-N 431.562 1.551 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(C(=O)C2CC2)CC1 1760525216 XWLDNRYWSIOCLX-UHFFFAOYSA-N 440.523 1.759 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760525539 JBLSGIINLOUANE-OAHLLOKOSA-N 449.437 1.586 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1760527044 LYDSKVDUALPOLG-UHFFFAOYSA-N 439.564 1.607 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)OC 1764139702 KBVBCTOSSPYBBY-ZDUSSCGKSA-N 427.509 1.766 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCCCC2)CCOC1 1767481073 AAOZCJABBMAMJT-CNNODRBYSA-N 432.569 1.781 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1769275763 LCUCHPCFTXDOQK-GOSISDBHSA-N 441.511 1.202 30 10 IDEE COc1ccc(OCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1770294866 WBZZJCCRIVXXDO-IBGZPJMESA-N 440.504 1.607 30 10 IDEE C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCN(c2cccc(C#N)c2)CC1 1849854524 VOWRTAONHLBPCQ-CQSZACIVSA-N 434.468 1.852 30 10 IDEE C=CCN(Cc1cccc(S(=O)(=O)CC)c1)C(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 1853561049 OVTDMGGAUYGEJX-KRWDZBQOSA-N 429.542 1.894 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(Oc4ccsn4)CC3)C2=O)CC1=O 1854851052 PAMVWPOQFAPYRC-DOTOQJQBSA-N 432.546 1.538 30 10 IDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1855423281 BEYHTFBBXPVEHD-IEBWSBKVSA-N 437.606 1.996 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1C 1857187602 NGRNXJPSWWSIOO-HNNXBMFYSA-N 427.482 1.937 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(CCCO)c(C(=O)O)cc3=O)cc21 1857886221 SZTFFISTAVFXKA-UHFFFAOYSA-N 442.424 1.102 30 10 IDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155246 DAYAUMTZIOWLBA-UHFFFAOYSA-N 431.368 1.590 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871587812 CIAWLPYFHJLBDQ-UHFFFAOYSA-N 434.548 1.863 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)c(F)cc3F)CC2)CC1 1890888183 XZFHAZZKSDRDMF-UHFFFAOYSA-N 445.507 1.524 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(COc2ncccc2C#N)CC1 1891275510 YMGYEAODKRQGRU-UHFFFAOYSA-N 430.486 1.540 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141666725 AOPMMLCZXXNUOV-INIZCTEOSA-N 446.357 1.918 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1NC(=O)C(F)(F)F 2255627546 VACUALCGCIFYME-ZYHUDNBSSA-N 430.236 1.238 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)n1 2255820030 KKJFGUWDTUNPEY-LSDHHAIUSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255826295 NQQISCTZLIWJFA-ZFWWWQNUSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255828377 SNRINHNDQSGATJ-UHFFFAOYSA-N 432.330 1.648 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255831540 XKMLYZAZXOXZOF-CABCVRRESA-N 434.346 1.895 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCNC(=O)OC(C)(C)C)OC 2255831565 XWYURAYWQUFYNH-UHFFFAOYSA-N 438.334 1.731 30 10 IDEE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267275948 VISBCPCHHGOHDE-AEFFLSMTSA-N 439.369 1.755 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267477661 OKBJTCAEYSFZEP-LSDHHAIUSA-N 447.341 1.481 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2267522553 WUGFFHQZUGZWGV-OALUTQOASA-N 438.337 1.434 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268639602 ALJKQFZAEYNFAF-GOSISDBHSA-N 446.353 1.756 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC3(C2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2282504455 OXQCFGZTUHPGAI-UHFFFAOYSA-N 425.312 1.132 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CC2CN(C(=O)OC(C)(C)C)C2)n1C 2337270231 JCMGCWPINGZFKH-UHFFFAOYSA-N 448.373 1.967 30 10 IDEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2N)cc1 20917290 IMMLYPVCCRXWOS-AUEPDCJTSA-N 439.501 1.884 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CC1 23145975 MWTYMJPADZFGDC-UHFFFAOYSA-N 432.525 1.027 30 10 IDEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccccc3)c2=O)=C(C#N)[C@H]1c1ccccc1 254870032 RZJHQULBEIBGTI-LJQANCHMSA-N 429.501 1.901 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)CCO1 409492343 DELQDFXEYLLDKO-LSDHHAIUSA-N 425.511 1.529 30 10 IDEE N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 433528274 BYWKASWLQMBNQF-UHFFFAOYSA-N 441.444 1.041 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 436765309 ADTNWEKUESOQTD-UHFFFAOYSA-N 441.513 1.406 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)CC1 438665558 DNWIYNCNHABNHZ-UHFFFAOYSA-N 444.580 1.289 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471057740 RQVWVORAAXSMEM-QGZVFWFLSA-N 440.504 1.128 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)CC1 474868296 KRBKKUXIEIFVFJ-UHFFFAOYSA-N 432.458 1.096 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@H]3CC(N)=O)nnc12 477933184 DRUDIOHEGWSTGV-AWEZNQCLSA-N 440.529 1.579 30 10 IDEE Cc1nc2[nH]c(S(=O)(=O)CC(=O)NCc3cccc(C#N)c3)nc2cc1Br 480019616 SPBURXUDMUJNFD-UHFFFAOYSA-N 448.302 1.991 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 481792881 FOAWYQAKCMGHAB-GDBMZVCRSA-N 428.518 1.558 30 10 IDEE C=CCOC[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 481799317 XGTYYDYHOQLYAA-AWEZNQCLSA-N 439.262 1.296 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C#N 489059162 HLQRISKMWXHWOT-UHFFFAOYSA-N 438.506 1.486 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)ccc1Cl 501979193 GXHURHIQTFSCRC-HNNXBMFYSA-N 433.939 1.027 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508924879 ZFWFCMMICUMMQM-IBGZPJMESA-N 443.573 1.566 30 10 IDEE CN(C)C(=O)CCN1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 511383579 NKIJCEBGOQIMHG-UHFFFAOYSA-N 428.537 1.449 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1C#N 514428969 VTAXTEOFJONKSM-KSSFIOAISA-N 426.525 1.494 30 10 IDEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 518589212 XZVQTXBGTFRPPN-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2C)C1 577889671 JJMSUTUAUIRPAT-RTBURBONSA-N 447.561 1.683 30 10 IDEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 582153272 MNVWXERUIKJCNX-ICSRJNTNSA-N 434.468 1.676 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)o1 611377107 GQUQPHSFMBRYGB-AWEZNQCLSA-N 431.518 1.258 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC)c(F)c1 727417118 DZDCLYHGNJQMEO-UHFFFAOYSA-N 427.457 1.669 30 10 IDEE COc1ccc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1[N+](=O)[O-] 730141380 HYQAAFZVQSGSMU-UHFFFAOYSA-N 434.478 1.381 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)cn1 732563158 SKYAWSUKWNMDDX-UHFFFAOYSA-N 433.537 1.300 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@H]1CCCO1 735068854 GRTLVYYERVNRPZ-QGZVFWFLSA-N 443.573 1.115 30 10 IDEE C#CCN(CC(=O)N=c1cc[nH]n1Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 741784723 LVAPTUMZZLWEEU-FQEVSTJZSA-N 428.558 1.538 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)Cc3cccc(C#N)c3)C2=O)cc1 750432337 AJYWFCWUOLTCCT-JOCHJYFZSA-N 436.424 1.151 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCN(c2sccc2C#N)C1=O 751469045 RXANCXLQZWKRCA-MRXNPFEDSA-N 447.561 1.736 30 10 IDEE CCOC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)c1 754576359 CGLBMRWMXRZHMQ-UHFFFAOYSA-N 440.275 1.955 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1 766413251 BMZATGHXQUOOBE-GOSISDBHSA-N 442.545 1.685 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767726534 SSWAMWPOAYSDGA-HUUCEWRRSA-N 431.507 1.052 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 771720419 AMYSTJOOOSHKGM-UHFFFAOYSA-N 429.502 1.331 30 10 IDEE C#CCN(C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774050192 YHKBWNFASNAURW-CQSZACIVSA-N 427.548 1.418 30 10 IDEE C#CCN(C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774165872 XDPHZJDNZGJRBU-CQSZACIVSA-N 434.436 1.968 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)n1 788912785 DXEMCNQCKCVEOP-JOCHJYFZSA-N 443.523 1.887 30 10 IDEE C[C@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 799866086 TYROBLFQJOSAFT-TZMCWYRMSA-N 443.570 1.222 30 10 IDEE CC(C)CN(C(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 850704186 UAILJVHQJPAGJU-GHIJENOOSA-N 430.592 1.690 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1=O 916177954 FMMCVMIDHBSYBW-HXUWFJFHSA-N 444.444 1.111 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCOC1 1136040938 JFNFCFCYRGEULY-QFIPXVFZSA-N 429.521 1.923 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1140633058 DGBFLVCLNZRSHR-HNNXBMFYSA-N 436.509 1.055 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)N(CCO)[C@H](C)C1 1140911333 ICZCZBLILYIXGS-SOLBZPMBSA-N 436.578 1.053 30 10 IDEE CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1141412027 VZCHVMVLKXZTQV-KRWDZBQOSA-N 446.495 1.958 30 10 IDEE Cc1ccc([C@H](Cn2ccnc2)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)c1 1230713393 XLMWBPONFKUGKY-IBGZPJMESA-N 433.472 1.642 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(F)c3F)CCCC2)CC1 1234153505 HUZCSCVNWYVZBV-UHFFFAOYSA-N 440.516 1.571 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1286285276 LTYCRLPCQXLSSD-HRAATJIYSA-N 440.529 1.138 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286334811 BLDTZAFCZADGQW-AWEZNQCLSA-N 426.443 1.432 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286345517 OFRYALSBIBRJBR-INIZCTEOSA-N 447.561 1.846 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1286465627 QJDFISXYTKNQJQ-MRXNPFEDSA-N 434.541 1.572 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286601719 SZFGJZDULXZOSJ-IBGZPJMESA-N 435.575 1.861 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286601886 PNPYSASFYVMARQ-IBGZPJMESA-N 445.568 1.728 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286711586 MWJVWBZDISSXSB-GOSISDBHSA-N 441.536 1.195 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286783957 RELOEPCPAPKOCT-QHCPKHFHSA-N 433.516 1.758 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc(OCC)cc2C1 1286789444 DPIBLANZGLHFSL-UHFFFAOYSA-N 438.532 1.664 30 10 IDEE CC(=O)NCCN(Cc1ccsc1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1286958512 QCWNADTUYJJUNL-VHEBQXMUSA-N 443.533 1.317 30 10 IDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCCO1 1289049876 BHSNTYCJZGRCJV-NRFANRHFSA-N 444.561 1.904 30 10 IDEE CC(C)N1C(=O)C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1c1ccc(Cl)c(F)c1 1295563148 RPEBPFBWSSTKAX-YJBOKZPZSA-N 447.854 1.480 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 1299654824 NELUHKYIDCHQCO-HYVNUMGLSA-N 448.545 1.835 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1300511501 JNNIXLJNQXEPHY-INIZCTEOSA-N 435.463 1.841 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1301373296 UUBFWVLLGXNAKA-OAHLLOKOSA-N 434.570 1.433 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(=O)NCC)CCC2)C1 1301536609 YAKADZUAJLRARC-KRWDZBQOSA-N 430.553 1.602 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)N(C)C)C1 1301565307 BCOIHIFVUFZJLV-INIZCTEOSA-N 440.595 1.307 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301586079 QBEDYCRVAUNIRY-GOSISDBHSA-N 435.594 1.889 30 10 IDEE COCCOc1ncccc1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1302139403 HHVRUMHYVLWSSA-SFHVURJKSA-N 435.488 1.846 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1=O 1303183566 KZIDTNUTODDZAH-UHFFFAOYSA-N 434.508 1.198 30 10 IDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1303311595 DHQFBVLTPLYPCH-UHFFFAOYSA-N 430.516 1.889 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1303635173 BBNWBKDHBZPXKB-LBPRGKRZSA-N 444.446 1.312 30 10 IDEE CS(=O)(=O)CC1(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)COC1 1304252762 PLDZCCGSWYERGM-OCAPTIKFSA-N 445.328 1.677 30 10 IDEE C[C@@H]1CCCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1305014168 DXNMHWMVLQWOKD-SQNIBIBYSA-N 436.582 1.173 30 10 IDEE C#CC1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)CC1 1307869039 HNCFHZTWNYMFFT-UHFFFAOYSA-N 449.573 1.778 30 10 IDEE CCCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1313484629 CJEYIMZACZUAIT-JKSUJKDBSA-N 425.541 1.695 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1315103046 LUNFHNNOIRMOMP-OPAMFIHVSA-N 438.488 1.206 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1315654118 NPZSMEHIHVNFCR-KRWDZBQOSA-N 442.520 1.757 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1316097449 CFOYXKZIEXMJGN-UWJYYQICSA-N 432.525 1.219 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](F)COC)c1 1358902800 ZQPPRIWCNYZHJB-QGZVFWFLSA-N 425.468 1.719 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1358955236 IDNAGJDTPLFYIP-LSDHHAIUSA-N 443.520 1.478 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(F)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358957357 TVAZAWGYXVNSBX-LJQANCHMSA-N 447.536 1.237 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1358965824 BPCKBEBJQGJZST-KRWDZBQOSA-N 433.578 1.463 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(F)c2)CC1 1359028459 SWGZCBQZSFOJOU-UHFFFAOYSA-N 444.486 1.627 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 1359048065 DEGIMSCAJZWCKT-UHFFFAOYSA-N 442.593 1.680 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1359142411 HKRDLPMIRNSYHA-CYBMUJFWSA-N 432.978 1.336 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359323710 VLXBLDQVIDIJFA-KHOFPDMRSA-N 449.515 1.572 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359550913 SPTXLKVYXMRMDQ-MSOLQXFVSA-N 435.532 1.836 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCN(C2CC2)CC1 1360671046 BQWQIRAWYMUJRQ-OAHLLOKOSA-N 435.598 1.503 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc(Nc3nccc(C(F)(F)F)n3)c2)CC1 1449058453 HBPPEAVBGIXQMF-UHFFFAOYSA-N 446.433 1.746 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CN(Cc2ccccc2)c2ccccc2)CC1 1455115560 PTHKIJHWERCIME-UHFFFAOYSA-N 426.542 1.305 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1470361794 WOPVZSOWUGXJRC-QGZVFWFLSA-N 439.472 1.819 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@]4(CC(C(=O)OC)=NO4)C3)ccc2c1=O 1472610819 KYBIIDQHEQBVHF-FQEVSTJZSA-N 428.470 1.405 30 10 IDEE CCn1c(=O)c(=O)n(CCc2ccc(C#N)cc2)c2cc(S(=O)(=O)N(C)C)ccc21 1472946617 IAWISNOIDSMMGW-UHFFFAOYSA-N 426.498 1.548 30 10 IDEE C=CC[C@@H]1CCN1CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1473865427 SDDRPLUYMXAYBD-QGZVFWFLSA-N 427.505 1.209 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1494334675 PRUXDFPZHNKXTC-MUXVIGPSSA-N 430.509 1.312 30 10 IDEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1494517449 DHOLRBBIICPNDN-LAUBAEHRSA-N 433.532 1.457 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C1 1505123462 HPGFBSITJWSZTF-GOSISDBHSA-N 442.545 1.499 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC=CCC1 1505350942 JXOQZHZMKHYSDS-HTXNQAPBSA-N 434.460 1.218 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507512273 DSSAWHKXEDPPRM-HUUCEWRRSA-N 428.459 1.235 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507736336 ITDLEVRYRBVAJN-MJGOQNOKSA-N 426.521 1.291 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1507760683 DQYQBVKQSUHRFO-TZIWHRDSSA-N 436.578 1.747 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507850296 GBRCJQAMHKQWLT-CQSZACIVSA-N 430.962 1.032 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507982452 NGLHVEBLNMAYQC-UHFFFAOYSA-N 429.525 1.277 30 10 IDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)COCCO1 1510358618 XNZIFRXDSUEVDS-JOCHJYFZSA-N 440.504 1.236 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1519162957 IMYXLVYYNOJISO-WWMYMODYSA-N 432.525 1.324 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(NC(C)=O)nc1 1519409247 LHVUCRDQUJEHNY-FNHZYXHNSA-N 427.509 2.000 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1521137315 NTGZLGZLXBTGBI-UXHICEINSA-N 425.537 1.230 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)ccc1F 1534665478 ZHUUOMIVAIUOTQ-UHFFFAOYSA-N 449.460 1.430 30 10 IDEE C=CCN(C(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1537469174 LGMKVJCEWXBRJD-QRVBRYPASA-N 436.530 1.614 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnc(OC4CCOCC4)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1538308678 ORTWLJPFHBVVSW-UGSOOPFHSA-N 425.894 1.303 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cc(CO)nn1 1539155339 RBFCBLAALXHVAP-UHFFFAOYSA-N 433.314 1.290 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1539211657 NAFMZWQPHVDZFF-QGZVFWFLSA-N 427.530 1.182 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539212706 RQFUERNCRCJNJH-IBGZPJMESA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1539218660 BVCVGKKQNISYOD-QGZVFWFLSA-N 425.518 1.096 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2[C@@H]2C[C@H]2CF)CC1 1539488634 NFEKXNGYLSZIII-JKSUJKDBSA-N 444.536 1.766 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539636002 IQVMMAYDQFHWBG-ZVDOUQERSA-N 430.597 1.955 30 10 IDEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539779294 TXDTZNPWZQKPGS-DLBZAZTESA-N 428.924 1.720 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2cc(C)cn2)CC1 1539889742 BRRASJTZKFQRQM-SFHVURJKSA-N 449.581 1.219 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539913022 XADWELHQUWVJFU-UHFFFAOYSA-N 428.585 1.928 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1540907805 IXRCJYLFHCSGDO-QGZVFWFLSA-N 440.566 1.852 30 10 IDEE COCC(=O)NC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1542547989 CNOXZWCLLLJDIP-JXORXQGFSA-N 434.537 1.527 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1 1544575318 DPMWDLZIRGMLPO-INIZCTEOSA-N 434.504 1.372 30 10 IDEE CCC1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1546702413 MCLWKVHVDJOEOF-QZQOTICOSA-N 441.536 1.553 30 10 IDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1554346541 HNFDBYCTWLEHGB-HXUWFJFHSA-N 443.508 1.616 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1555685843 APWKTZCLKWRXEX-WMZOPIPTSA-N 447.561 1.850 30 10 IDEE C#CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H]1CCS(=O)(=O)C1 1564764211 BBVUWQOXDFAWEY-KBPBESRZSA-N 435.493 1.463 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 1588074117 JMHNIMCXAPXVAN-UHFFFAOYSA-N 436.482 1.861 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1588139832 RWGGODSQTGLTIR-IBGZPJMESA-N 442.589 1.996 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N(C)C 1588559421 GGKJZJJYYKERJJ-KRWDZBQOSA-N 430.578 1.965 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589068681 CMYNHCRFJNEBSU-ZWKOTPCHSA-N 433.578 1.366 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)CCC)C1 1589068926 GCYNFJXOEDUTCK-QZTJIDSGSA-N 439.651 1.715 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1589569886 RQXPBMXEYWXCNV-ZTNFWEORSA-N 429.569 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1595517422 YEJYLUYNNXLNPZ-IBGZPJMESA-N 437.548 1.830 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595778442 ZUGNTQFKNRWGKD-HXUWFJFHSA-N 449.964 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1595785137 RFVMMTWAOVINEJ-HNNXBMFYSA-N 433.534 1.221 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1598089664 KFJKXRBCODWGDK-LJQANCHMSA-N 426.521 1.831 30 10 IDEE C[C@@]1(C#N)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CCO1 1598177298 APIHBSFZFVZDHM-KBXCAEBGSA-N 427.548 1.428 30 10 IDEE CC(C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1609522339 DKONYNOBOZHGBK-INIZCTEOSA-N 425.541 1.693 30 10 IDEE CC[C@@H](C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613409110 RPSWYAIKLRRPQQ-OAHLLOKOSA-N 435.536 1.944 30 10 IDEE CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1614319415 ATDBHNBLTZOPNZ-BZROSYFNSA-N 443.552 1.500 30 10 IDEE COc1cccc([C@@H]2C[C@@H]2NC(=O)C[C@@H]2CN(C(=O)C#CC3CC3)CCS2(=O)=O)c1 1615854033 DWYIRQQBQQPHIH-AABGKKOBSA-N 430.526 1.096 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1620044025 RIUOQYAYDQEJQZ-IBGZPJMESA-N 447.561 1.883 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1628216328 OIPAYZKUGHCZND-CVEARBPZSA-N 429.336 1.873 30 10 IDEE COc1n[nH]c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1Br 1632713753 NIMKVZMDKDZKIM-UHFFFAOYSA-N 442.295 1.638 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)s1 1633977095 SDDNNGAFGSDCGM-HNNXBMFYSA-N 427.592 1.372 30 10 IDEE C#C[C@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 1637663524 UCLDWMTZCFYQEB-OALUTQOASA-N 448.361 1.953 30 10 IDEE C=CCNC(=O)NC(=O)CN1C(=O)N[C@@H](c2cc(Br)ccc2OC)C1=O 1643733518 LCJOVZUPNRZEJJ-ZDUSSCGKSA-N 425.239 1.062 30 10 IDEE C#CCC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 1644291676 OADHZUAJNFCXNI-UHFFFAOYSA-N 433.574 1.958 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C2 1646251182 UJLVPCQPTGYQIW-UHFFFAOYSA-N 432.527 1.421 30 10 IDEE CC(C)(C)OC(=O)NCCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1648155230 BFZFKNRJQOXNBR-KPZWWZAWSA-N 440.547 1.221 30 10 IDEE C#CCN(C(=O)[C@H](C)S(=O)(=O)C1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973810 XKVQFFJZZKZHMC-INIZCTEOSA-N 442.578 1.830 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)C1=O 1654148714 JAFJVPMMDQQFGK-XXBNENTESA-N 435.484 1.412 30 10 IDEE CCOC(=O)[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCC1(F)F 1654391090 SFWGQIVISZBLRU-CVEARBPZSA-N 440.516 1.977 30 10 IDEE CCOC(=O)[C@@]1(F)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC12CCC2 1655036879 SLAZCZSVOUXKIE-NRFANRHFSA-N 433.484 1.261 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1663136043 BAOMDPCEKGQYBO-CRAIPNDOSA-N 445.994 1.677 30 10 IDEE C=CCN(C(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1672709724 RSTURTZWTOUSOS-CQSZACIVSA-N 441.554 1.960 30 10 IDEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 1677791504 RCKWYIONOBYMHP-SFHVURJKSA-N 435.546 1.204 30 10 IDEE N#Cc1cccc([C@H]2CN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CCO2)c1 1683513256 AEZPQAXNAIAKAZ-IEBWSBKVSA-N 427.482 1.876 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccc(C#N)s2)[C@@H]2CS(=O)(=O)C[C@@H]21 1686841665 JTQXIQJOJFEASA-CABCVRRESA-N 440.547 1.548 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1689986094 INDAWCBJESXMTG-INIZCTEOSA-N 428.493 1.493 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690056396 QWZQYGHSZBJHKL-NRFANRHFSA-N 436.560 1.589 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)CC1 1690124872 WFBWURWRHKVVBY-FQEVSTJZSA-N 427.574 1.568 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CCC)CC1 1690132146 IWPYMYHJRMWPGE-OAQYLSRUSA-N 430.578 1.576 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690497539 SNVUNSYGXCLBDF-VGSWGCGISA-N 442.520 1.902 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1690531809 ARSXSXPXRZWGGH-MRXNPFEDSA-N 425.541 1.523 30 10 IDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690644676 BJOLHNIJBZKKQC-UHFFFAOYSA-N 432.475 1.506 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1690667798 IOCLKEONMNJYDX-INIZCTEOSA-N 427.553 1.954 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1690670789 IWCKKLHUGGYCII-HXUWFJFHSA-N 446.596 1.413 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1691001887 QTFCJMXZZWRCIH-GOEBONIOSA-N 440.474 1.928 30 10 IDEE C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1693698050 AYZATNDHDODMEG-NHWLHPCLSA-N 427.509 1.275 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1696581030 NKIAZWSFCNEUAV-UHFFFAOYSA-N 448.535 1.140 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1696842400 ITUNJYJIPPXARH-IEBWSBKVSA-N 444.561 1.713 30 10 IDEE COc1ccc(OC)c(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1697473052 AUUIRHCBEJRYRO-ZWKOTPCHSA-N 440.504 1.608 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)cc1 1698488117 CUQWMNZJLVHGGH-FXAWDEMLSA-N 426.502 1.326 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705522702 DSBOHNUNYCXNIQ-UHFFFAOYSA-N 444.561 1.642 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705541304 FLHBCFFPRXJNSI-CVEARBPZSA-N 435.525 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1705589563 SGKZWATYJDGEJJ-OALUTQOASA-N 434.610 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1705599252 WUISVTOXNJHVHC-LJQANCHMSA-N 431.562 1.574 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1ccnn1 1705626794 JKQMJNRCJDYMSP-UHFFFAOYSA-N 433.476 1.362 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(CC)C2)CC1 1705647215 AOXIWZUCGFWKTB-ICSRJNTNSA-N 428.581 1.480 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705906052 QPUYBNSGOUBQLX-HXUWFJFHSA-N 429.613 1.529 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC[C@@H](C2CCC2)C1 1705934240 GHLBTSDDKYXOFO-IRXDYDNUSA-N 437.566 1.083 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1706075884 UMWWJWDITLSYLM-NVXWUHKLSA-N 445.545 1.870 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706145295 ZNBGXOQIOWCPJH-YWMAMYRUSA-N 443.508 1.034 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](COC)C2)c1=O 1710190013 GLANDWYGIJPWKV-HXUWFJFHSA-N 434.500 1.898 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1710893763 RXSDKGKGLCDRJO-GOSISDBHSA-N 432.550 1.761 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 1722324592 UXBDERLSZDODCM-MRXNPFEDSA-N 433.582 1.902 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@]2(O)CCO[C@H]2C)n1 1722429299 JXZOBTNRMNPTDK-FDDCHVKYSA-N 442.564 1.958 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC(=O)N2)CC1 1722443379 ICNWMEPLBMCARD-GOSISDBHSA-N 440.935 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2CCN(C(C)=O)CC2)CC1 1722445936 GEVWOCXEXCCFKF-UHFFFAOYSA-N 449.559 1.564 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722453454 TULGLRNAEVRGHM-UHFFFAOYSA-N 447.609 1.464 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1722467041 KVBWNYVCVPMSKB-RVHYNSKXSA-N 449.577 1.998 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1722693510 QBTQBOBWBYXBIX-WBVHZDCISA-N 447.561 1.655 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1724549934 HDEGEPQMUPZBGS-AEFFLSMTSA-N 431.518 1.329 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN(C)S(=O)(=O)CC 1727602028 CGIZWUCQCIIOOO-UHFFFAOYSA-N 446.581 1.105 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1729304153 GPRTVONFZYROBN-IBGZPJMESA-N 434.504 1.397 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1740539042 MRAFVJUFFHBWEH-MRXNPFEDSA-N 425.493 1.475 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1740621581 NVKQDKNESDVPFD-HNNXBMFYSA-N 444.492 1.513 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1740633010 SEFHGNXNIIVFSQ-UHFFFAOYSA-N 438.351 1.554 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1740678584 OSXBUKOTWRWGLU-XSLAGTTESA-N 425.533 1.469 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)NC 1740681077 BEDJZIDCWAJXAM-UHFFFAOYSA-N 429.905 1.373 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCOCC2)CC1 1740688998 NJNGDXRERVNBNB-UHFFFAOYSA-N 432.594 1.182 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740709053 IQEULRNXCFUWJN-ARFHVFGLSA-N 427.596 1.403 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740716056 JUOGJXRNUSYWRN-KRWDZBQOSA-N 443.577 1.523 30 10 IDEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740746516 LMNHNIXBWSNZAT-UHFFFAOYSA-N 446.396 1.921 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C(N)=O)C1 1740953213 YRSWKXRWNQBIBI-SFHVURJKSA-N 447.543 1.966 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740955592 ZAPGXYXQWHGEKW-ZHRRBRCNSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740956586 NVQMXVXJEFUEFL-AWEZNQCLSA-N 438.941 1.309 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1740957779 AOMPHROEPZSIQW-OALUTQOASA-N 443.596 1.480 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(O)cc2)C1 1740972937 OYPGGSGUNSRXLT-QAPCUYQASA-N 435.550 1.618 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740976947 ANXAFBRZNFCUCL-ROUUACIJSA-N 435.488 1.586 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1740996900 SLUAKEMXECUBCZ-HZPDHXFCSA-N 428.628 1.482 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC(C)C 1748672101 QHNSKEBBZGFRAP-DLBZAZTESA-N 427.571 1.132 30 10 IDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1748703474 QROJUHJAXAFEBW-UHFFFAOYSA-N 426.477 1.952 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1748817744 PQWXERUVIDNNJP-PMACEKPBSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCOCC1 1748896523 DRZRMLBKZOKLRN-UHFFFAOYSA-N 426.546 1.346 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749450551 LIDYYNHURKWVFH-MRXNPFEDSA-N 425.555 1.120 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(NC(C)=O)CC1 1749677935 PSYHYISWHMOINT-UHFFFAOYSA-N 426.521 1.573 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1749791660 NOOYRSRBZPDOQG-PZJWPPBQSA-N 438.532 1.927 30 10 IDEE CC(C)N1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750905092 SXOJYABUIHSNDD-BWVDKLOVSA-N 443.552 1.577 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC(F)(F)F 1751223870 RVKFXUXAEIJCME-GWCFXTLKSA-N 428.412 1.257 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1760145487 PVDJYDRKYHXMDE-OAHLLOKOSA-N 432.550 1.298 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1760175740 QELBBOYPJRMZQZ-INIZCTEOSA-N 441.916 1.521 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760181655 ZIRLKRVBKGEHGW-LJQANCHMSA-N 443.573 1.676 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN(CCC)C(=O)OC(C)(C)C 1760203058 UTNTYNDADZDVRF-QGZVFWFLSA-N 428.537 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1CC(=O)N1CCOCC1 1760223056 IXHNAMMYFIRVOL-UHFFFAOYSA-N 435.528 1.741 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCSC2)n1 1760252821 WYVSAMOSTPQUAT-WIYYLYMNSA-N 446.577 1.480 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCO[C@H]2CCOC2)CC1 1760263357 YLWWXEULQBCGJV-IBGZPJMESA-N 430.578 1.585 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760351720 KQOSYHHSPOWOEY-IBGZPJMESA-N 425.555 1.024 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H](C)O1 1763498491 PPVAXFSQBHIEGI-APWZRJJASA-N 447.561 1.882 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)C1 1767252242 HEKYJDWOJAPDIR-GOSISDBHSA-N 432.550 1.760 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)SC)C[C@H]1O 1767928868 YFHYRCSXAULPBW-YXJHDRRASA-N 445.545 1.840 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N(C)C 1770010780 ZSYNOHCEYAEKRI-CABCVRRESA-N 429.525 1.487 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1772564808 SGNFCOZZCCRUFG-LBPRGKRZSA-N 430.456 1.854 30 10 IDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)NCCN2CCCC2)cc1 1851728428 KEKIVPZDSBMJOR-NRFANRHFSA-N 426.542 1.660 30 10 IDEE Cn1c(N2CCN(C(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)CC2)cc(=O)n(C)c1=O 1851917395 JHKYTXNITYNAKG-SFHVURJKSA-N 444.495 1.097 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)C(=O)C2)cc1 1854023932 KYRLXGYJUJSXMY-UHFFFAOYSA-N 435.864 1.953 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)C4CCCC4)C(=O)C3)C2)cc1 1855829772 GLTBQNAMEHVVFX-SFHVURJKSA-N 430.530 1.182 30 10 IDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C2)CC1 1855839132 PGLCJYNDRCNSHQ-HIFRSBDPSA-N 427.402 1.741 30 10 IDEE N#Cc1ccc(OCCN2CC[C@H](N3CCN(C(=O)[C@@H]4CCCS4)C(=O)C3)C2)cc1 1856728803 PVYZEDKUXJWRFS-ICSRJNTNSA-N 428.558 1.578 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@H](C(=O)Nc4ccccc4C#N)C3)ccc21 1858413993 NSLYQAXKOZKKNJ-AWEZNQCLSA-N 426.454 1.652 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873661181 KHDDCAYVWJZFFJ-UHFFFAOYSA-N 446.515 1.860 30 10 IDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccccn1 1874210369 RURQPLPMILTVFJ-JKHIYUEESA-N 435.513 1.649 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1890387684 TVMDRCCIXBBOHZ-UHFFFAOYSA-N 443.972 1.900 30 10 IDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1891774869 YSOJTBIQZMTTDC-UHFFFAOYSA-N 448.439 1.585 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc21 1891899137 JAFZFHDEEVXVRZ-AWEZNQCLSA-N 428.532 1.553 30 10 IDEE C=CC1(NC(=O)[C@@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993257551 GPUCRGJQIKSRGB-CYBMUJFWSA-N 429.489 1.598 30 10 IDEE C=C[C@]1(CO)COCCN1C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2022249971 KQROOIWHRVJQGT-QHCPKHFHSA-N 433.549 1.789 30 10 IDEE CN1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CNC(=O)C(F)(F)F)C1 2106600905 SSEQXWYONKPBCR-QGZVFWFLSA-N 441.303 1.780 30 10 IDEE Cc1cc(C#CCO)c(CN(C)S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)s1 2237728488 ZSJDUQHQQYZTEV-UHFFFAOYSA-N 446.550 1.848 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2247822400 DXEQXCGHXIRDKW-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE C[C@@H](COCc1ccccc1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247954604 ZPJLGRDOTBKRRV-HNNXBMFYSA-N 435.355 1.603 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248485103 GEDQMJIHBHRIEC-SDDRHHMPSA-N 436.343 1.453 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255695189 YFSAODBVIJIQLI-UHFFFAOYSA-N 435.334 1.053 30 10 IDEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2256056161 AUBMAFRSOMWMAS-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256066526 DDCYBPPCWYVPDR-KRWDZBQOSA-N 427.310 1.426 30 10 IDEE Cn1nc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 2267133080 YDGKGYLUYOSAKY-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE Cn1ncc(C(=O)N2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2267512295 FKMAABYJEOSIFO-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2267588474 MGKCZYSXLWHXEB-OAHLLOKOSA-N 442.325 1.966 30 10 IDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2272076361 JVTDWYUDOAWOSN-VQIMIIECSA-N 426.491 1.099 30 10 IDEE COc1ccc(C=C2Oc3cc(OCC(=O)N4C[C@H](O)C[C@H]4C(=O)O)ccc3C2=O)cc1 2297475464 ZXFAGVPNRLZYRK-KDOFPFPSSA-N 439.420 1.737 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)C(=O)O 2304803986 GEWRCIYENCUAEW-ZDUSSCGKSA-N 426.250 1.877 30 10 IDEE Cn1nc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2312860706 PIQNRUDYZDJNHS-DUVNUKRYSA-N 432.330 1.457 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319676940 JTJWURJNXDAQMZ-TYTKBFJVSA-N 440.346 1.412 30 10 IDEE COc1ccc(OC)c(C=CC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 2323203061 PSYMTIDVDQUMPS-UHFFFAOYSA-N 426.429 1.938 30 10 IDEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1 2328371830 UKAVXBDVCQDUOP-UHFFFAOYSA-N 429.458 1.737 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F 102744566 KCROHRQSGOLVGQ-GOBJLOIFSA-N 442.491 1.930 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 102750320 HEXGIFODQMCZAE-LAFOYAEKSA-N 425.489 1.186 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1C[C@@H]1CCCO1 461159068 LQNFFDPSBOBRLS-AEFFLSMTSA-N 431.504 1.896 30 10 IDEE CCOC(=O)c1ccc(N2CC(NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)nc1 462097521 QLKOYHITYIAPNB-UHFFFAOYSA-N 432.444 1.721 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 477043927 AXNMVSXQEYVXJJ-OBXNSHGQSA-N 442.626 1.678 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@H]1CCCO1 486837745 FBDHMFCZQQYBHX-OAHLLOKOSA-N 447.919 1.663 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C 503801592 VPDZNFIESPIDIR-KRWDZBQOSA-N 429.502 1.072 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c1 506065338 XOCCJPBHFQEXOW-KRWDZBQOSA-N 427.482 1.403 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508953672 VTTOJAUFBKSJFK-HXUWFJFHSA-N 429.550 1.531 30 10 IDEE C=CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(F)(F)Oc1ccccc1 508998900 ODMRZWGZJVQTJN-UHFFFAOYSA-N 432.475 1.993 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2 523305542 BBQVXOAZSIOROG-UHFFFAOYSA-N 445.500 1.937 30 10 IDEE CCN(CC)C(=O)[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 537250922 MNMDUMSBQMKWFY-NHCUHLMSSA-N 429.540 1.867 30 10 IDEE N#CCCCCS(=O)(=O)N1CCN(S(=O)(=O)CCCCC#N)[C@@H]2CCCC[C@H]21 559157742 FNABMPHFLJHMBD-QZTJIDSGSA-N 430.596 1.963 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 578986435 XAMARPJUMOJWBZ-HXUWFJFHSA-N 427.530 1.874 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CCOC)C(=O)C1 580178293 RTYCFWZMONOBMY-UHFFFAOYSA-N 447.565 1.109 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCCO3)CCN2C1=O 619863218 HRYXOKNPBTXRBL-MOPGFXCFSA-N 449.515 1.859 30 10 IDEE C=CCOCCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 679504979 JKZKZCVRBMKWDL-UHFFFAOYSA-N 425.507 1.066 30 10 IDEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 731887593 CPJPGIHLQQPZFA-XMMQZVGTSA-N 430.530 1.489 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 734268827 CTWQKDOVQUAGJA-QZTJIDSGSA-N 447.555 1.569 30 10 IDEE C[C@H](CC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21)/N=C1/NS(=O)(=O)c2ccccc21 745495196 DTIDBCLUXGTLKB-DJIMGWMZSA-N 449.529 1.217 30 10 IDEE CCOc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751699387 NKKWTQNJYYINDQ-SJLPKXTDSA-N 434.562 1.874 30 10 IDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753358444 NEUYXFSGKYXXGC-UHFFFAOYSA-N 449.488 1.605 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1 753799371 OLDRRSDNQYMQOM-QJIFYWSCSA-N 440.522 1.324 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2CCN(Cc3ccccc3)CC2)C1 756888329 ACUAMEOFZIBRPI-VQTJNVASSA-N 427.549 1.679 30 10 IDEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@H]2CCCO2)c1 763435615 BTXZCKYOMURHQX-LJQANCHMSA-N 449.532 1.822 30 10 IDEE Cc1nn(C)c(C)c1[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 769701905 ZWQZJSQPSNWLCJ-OAHLLOKOSA-N 429.424 1.495 30 10 IDEE Cc1cc(C(=O)Cn2ccnc2C#N)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 770643721 KREWVVYKUOSKRC-UHFFFAOYSA-N 429.440 1.687 30 10 IDEE N#Cc1c(F)cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1F 773355619 UPMYSGOUXNKUDC-UHFFFAOYSA-N 439.415 1.926 30 10 IDEE C#CCN(C(=O)Nc1cc(OC)ccc1I)[C@@H]1CCS(=O)(=O)C1 774037733 FVYDECSUGTWJCM-LLVKDONJSA-N 448.282 1.954 30 10 IDEE C#CCN(C(=O)NCC(=O)Nc1cc(Br)ccc1C)[C@@H]1CCS(=O)(=O)C1 774187430 NJRMEWJVBJJQQY-CQSZACIVSA-N 442.335 1.528 30 10 IDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)CCCOc2ccc(C#N)cc2OC)cc1 777345442 SXSIAASTKPTZAV-UHFFFAOYSA-N 431.470 1.591 30 10 IDEE C[C@H]1NC(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O 778446880 IUGUWMJAFXJFNV-GOSISDBHSA-N 430.512 1.999 30 10 IDEE CC1(C)CC[C@@H](C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)O1 785268204 XBAMRQAYVQYFSN-INIZCTEOSA-N 428.445 1.956 30 10 IDEE COC(=O)CCN1CCC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cn2)CC1 788711575 DVOLXQAKNBRDDK-UHFFFAOYSA-N 432.506 1.704 30 10 IDEE COc1ccc(C2=NO[C@@H](CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)cc1C 802142765 DYEXZAPAULWVCL-FZFLATATSA-N 427.461 1.322 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802484158 FKORFVBFWRRICZ-UHFFFAOYSA-N 444.499 1.968 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 915610955 IMANFHIICXDPEA-CQSZACIVSA-N 435.527 1.461 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccc(F)cc1 917776005 GVADXALCUDMRLA-UHFFFAOYSA-N 428.514 1.832 30 10 IDEE CC[C@@H](C#N)N(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1134207994 AGLFJDAQBAXZAE-AWEZNQCLSA-N 425.507 1.489 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnn(C[C@@H](O)CO)c2)cc1 1141967124 QPCBRPCTGYUTJG-QIDKZVQTSA-N 449.533 1.082 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC2CCOCC2)C(=O)OC)ccc1F 1153509785 KVDUQYGKOYXGDU-INIZCTEOSA-N 428.482 1.378 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 1187324841 BTGKXLUCSOGKPS-MRXNPFEDSA-N 433.461 1.609 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1196971920 FAGGPBBIAAVWJC-RTBURBONSA-N 448.589 1.525 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCOCC1 1253348482 QAONAPWKERKQSS-GOSISDBHSA-N 436.490 1.039 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2nnnc2-c2ccsc2)c1 1264809594 MQDMXQZGCRADPV-UHFFFAOYSA-N 436.497 1.275 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC1CC1 1286275916 PPYODSXBTUFADO-CQSZACIVSA-N 443.577 1.531 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286346346 RXQMOWYLIAGVNZ-UHFFFAOYSA-N 445.545 1.947 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1286346705 CDUNWLOXANZSOA-JOCHJYFZSA-N 449.603 1.897 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1286369347 MWUGVWCEMDEOBA-UHFFFAOYSA-N 449.515 1.164 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286389527 LPBCULNZECTNBL-SJORKVTESA-N 431.566 1.092 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286467964 XWOYXTUQMUIIFR-FGZHOGPDSA-N 439.560 1.769 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCCCO)CC1 1286485578 QLWAUPVIOKQFMM-KDURUIRLSA-N 446.596 1.967 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286566220 MQRGIEDXIPNNHC-ZVDOUQERSA-N 446.596 1.539 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1286686518 AAYQHWCMUFCSMQ-INIZCTEOSA-N 439.582 1.268 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](OCC=C)C1 1286782298 QBRXJTLCBVMUMP-KRWDZBQOSA-N 445.545 1.432 30 10 IDEE Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290857420 OAHFMZXCDCYXJJ-DNZUHHBVSA-N 445.524 1.559 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1295164893 HGBPCVXXIUAGCR-SFHVURJKSA-N 440.533 1.512 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300504744 RLAUBVOUCHMPMH-PMACEKPBSA-N 445.589 1.744 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300529610 MYPCKIHTYUEQAH-UHFFFAOYSA-N 440.555 1.998 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1300672059 UQFHNAFPVRBZRO-UONOGXRCSA-N 438.472 1.234 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300710020 PCUHMCAZWGBGCP-LJQANCHMSA-N 440.523 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1300716546 NRXJSSSRDIFEBR-QFIPXVFZSA-N 436.560 1.167 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCCC2)CC1 1300727180 WXEUIAANXSOYMG-UHFFFAOYSA-N 435.576 1.716 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1301403492 KGZHJYULNCWBIP-GHTZIAJQSA-N 446.529 1.519 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CCOc2ccccc2)CC1 1301490856 GRQDRJXGLILWJK-UHFFFAOYSA-N 447.543 1.843 30 10 IDEE COCCN(CCC#N)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1301808834 HCBXZOGVAZNSQS-MRXNPFEDSA-N 426.587 1.657 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1301951665 CXOIHMNDPVOVKY-CVEARBPZSA-N 425.603 1.749 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)C[C@H]1O 1315113572 XBTVLTATTQSWAP-QGPMSJSTSA-N 429.477 1.124 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2nnn(C)c2C(F)(F)F)cc1 1354816965 FXCJLDYVPSJKMG-UUYOSTAYSA-N 430.412 1.899 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)c([N+](=O)[O-])c1 1354907786 GFZKQEYFQCDDSR-UHFFFAOYSA-N 449.876 1.881 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)(C)C 1358927228 QXKVRFXTXAFSHW-UHFFFAOYSA-N 435.532 1.956 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1358932918 BOXICIZYDVDKSF-UHFFFAOYSA-N 440.596 1.544 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1359070216 IGLOUJHEHWBCEW-QFBILLFUSA-N 439.557 1.885 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1359100978 ITNCKHQUPWCEQO-KPFFTGBYSA-N 426.521 1.196 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359270924 GIVWIIYBZUOGIZ-OKZBNKHCSA-N 448.593 1.612 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1359406380 CRTOITJKOXYCPE-PBHICJAKSA-N 430.534 1.783 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[S@](=O)C(C)(C)C 1360677548 FEIYQBIEUDMQAI-SUMNFNSASA-N 444.627 1.566 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC(O)C1 1443889940 FXTMANNMNVREKD-HGCBZUSOSA-N 428.533 1.889 30 10 IDEE CN1CCn2ncc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)c2S1(=O)=O 1446790410 OZJCGSGYXUUAAF-UHFFFAOYSA-N 431.865 1.480 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@H](O)CN(C)OC)c1 1466115153 WDZUYAMFJLNFLP-CABCVRRESA-N 431.921 1.712 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCC(n3nncc3I)CC2)nc1 1470408146 ZGWPKQHXYYXOPR-UHFFFAOYSA-N 437.245 1.696 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1501205478 YZYQOIHYPIRLBP-SFHVURJKSA-N 438.536 1.292 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCS1(=O)=O 1504888442 QYDZICLKWNSYDP-IRXDYDNUSA-N 425.555 1.506 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1505322468 OMQUSEGGRQFHKY-GOEBONIOSA-N 439.442 1.655 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1507634427 KITVLPWWOPXXEM-GOSISDBHSA-N 429.546 1.699 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1507660466 UTSOQFKXHSLXBS-QUCCMNQESA-N 448.637 1.862 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507830263 ZVNZLIOLGYRUES-UHFFFAOYSA-N 436.538 1.442 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1507836874 CAWBLOLQXAXYCY-IAGOWNOFSA-N 426.587 1.156 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1507983227 PMMPQNZZUGUSCJ-OAHLLOKOSA-N 426.568 1.241 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1508006346 CDOAXXAKQQCCAM-KRWDZBQOSA-N 444.561 1.732 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCNC(=O)CC1)C(C)C 1508012742 IIYPRTVDYURAMH-IBGZPJMESA-N 426.569 1.704 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CN(C)C1=O 1508033048 JQFYFAINEICKQM-JOCHJYFZSA-N 426.521 1.707 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1508137271 YGRSVPPWGKPIIM-QGZVFWFLSA-N 431.562 1.946 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1508167462 KKBFEOBKBFTGTJ-CQSZACIVSA-N 434.591 1.856 30 10 IDEE C=CCSCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508169198 YNSKTWMNJXEKRB-SFHVURJKSA-N 430.596 1.473 30 10 IDEE CSc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)ccn1 1520057498 CFHPBVOLRBKCSC-KBXCAEBGSA-N 436.538 1.787 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)cc3)CC2)cc1 1531316151 HGGMLXGZBMHQEI-UHFFFAOYSA-N 428.514 1.449 30 10 IDEE Cn1c(CCC(=O)N[C@@H]2CC[C@H](C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1537051460 GMIVLEDHGSWSNG-JKSUJKDBSA-N 445.545 1.335 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539216760 WUIWUMHLUVHCMH-GOSISDBHSA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539218563 AOKRDRJOXARYEN-INIZCTEOSA-N 433.582 1.498 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)CC1 1539452377 QTRFAOZYGPUSQA-SFHVURJKSA-N 429.546 1.014 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539773368 WMEBDGLNCNEMCA-UHFFFAOYSA-N 434.888 1.799 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCSCC1 1540868642 MHCLLCCKQYXYHW-UHFFFAOYSA-N 435.579 1.094 30 10 IDEE CCN1CCN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1543829683 XJCJQEVUYMNTIL-FVRICEFQSA-N 433.597 1.917 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccnc1OCCOC 1546529408 RTJRTGPETBCOBZ-UHFFFAOYSA-N 448.531 1.902 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2CCCCCO)cc1 1555989102 YLYPWSAWWMGXMM-UHFFFAOYSA-N 437.548 1.380 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n(Cc2ccco2)c1C 1560185017 LFZBZISKVJBKLC-CJNGLKHVSA-N 433.534 1.413 30 10 IDEE Cn1cc([C@@H]2CN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC23CCOCC3)cn1 1569322325 LJLOIOIGCJHXDS-SFHVURJKSA-N 446.504 1.893 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 1588199435 ONUNYFFMGPFBOE-OAQYLSRUSA-N 435.546 1.013 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CC(OCC)C2)CC1 1588864256 AYTSFDLWYDSPDM-UHFFFAOYSA-N 439.560 1.851 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H]2C)CC1 1588930020 LFVMISHFVVZURO-BHIYHBOVSA-N 447.605 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)(C)C 1595517213 TUWWXIIKLQRBGN-UHFFFAOYSA-N 442.520 1.369 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595544823 MGPCZZUUNXDPAE-UWJYYQICSA-N 429.525 1.307 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(=O)NC)CC1 1595594133 KNKXMCIVGCAMDE-UHFFFAOYSA-N 430.484 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2ccnn2)CC1 1595797500 HUENGJDRIWIZLG-SFHVURJKSA-N 449.581 1.629 30 10 IDEE CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617328517 WCSRQCRLVUWXEG-UHFFFAOYSA-N 444.561 1.980 30 10 IDEE C=CCOC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)OC 1617951042 ROUYNZIXIUDJQN-FQEVSTJZSA-N 436.464 1.999 30 10 IDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCS(=O)(=NS(C)(=O)=O)CC1 1618159113 BSZHIVUSNHCUQY-AWEZNQCLSA-N 430.527 1.204 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3oc4ccccc4c3CO)CC2)cc1 1624067572 WOYVHESGJYFXNA-UHFFFAOYSA-N 425.466 1.943 30 10 IDEE N#Cc1c(CCCNC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)nn(-c2ccccc2)c1N 1624278592 WPIGZTSHDRUVME-HUUCEWRRSA-N 434.422 1.690 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)C[C@H](C)O1 1625479768 HSRWPCYUVBSZLW-GJZGRUSLSA-N 442.488 1.148 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1627475663 LMGMNBCWKXHNML-RYUDHWBXSA-N 447.410 1.606 30 10 IDEE Cc1onc(CC(=O)N2CCC(n3nncc3I)CC2)c1C#N 1629391550 WMXRMDZIKJAQPR-UHFFFAOYSA-N 426.218 1.457 30 10 IDEE C=CCOC[C@@H](NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)C(=O)OC 1634058606 ITWPPHBNVYOJJQ-OAHLLOKOSA-N 438.527 1.617 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2CCn3ncc(I)c3C2)cc1 1635679900 HYMYMAZHSIBGCA-UHFFFAOYSA-N 435.225 1.132 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 1636475370 FGOAOPBAUHNGBX-UHFFFAOYSA-N 432.546 1.431 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1636586021 FTSLWHSWUJPZHO-UYAOXDASSA-N 429.521 1.271 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2c(I)cnn2C)CC1 1637929006 WMTVUDMCZSWZMY-UHFFFAOYSA-N 431.234 1.013 30 10 IDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640503211 DXUJKDIKJPNTRX-SCLBCKFNSA-N 431.470 1.507 30 10 IDEE C[C@H](CC(=O)Nc1ccc2c(c1)CCN(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 1640959198 ITDRRIPOWYBENE-CYBMUJFWSA-N 426.498 1.771 30 10 IDEE C[C@H](NC(=O)CCC(=O)N[C@@H]1CCCN(O)C1=O)C(=O)c1ccc(Br)cc1 1641520969 JLJDQQQVCIXSKR-SMDDNHRTSA-N 440.294 1.413 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2CC(=O)OC)c1 1653686208 GUALEOKPDFXOSS-UHFFFAOYSA-N 430.482 1.651 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)c1 1658206808 MKKMHGLHUBBYHT-HNNXBMFYSA-N 430.505 1.484 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)C1 1664135290 LGHWKGQHQKLCGP-OAHLLOKOSA-N 440.363 1.734 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)CC1 1670466020 YAZGTVJWUJDWOP-UHFFFAOYSA-N 435.329 1.609 30 10 IDEE CNC(=O)[C@H](CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)Cc1ccc(OC)c(F)c1 1673912710 IPNCOSUOYRXGGM-AZUAARDMSA-N 442.491 1.986 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3c(F)cccc3F)CCCC2)CC1 1678127607 GOVFYWBBBDVXFB-UHFFFAOYSA-N 440.516 1.571 30 10 IDEE C#CCC1(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCOCC1 1682095442 IQXDKRITELENOQ-LJQANCHMSA-N 431.508 1.715 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)c1 1683532917 MIYHWKAPXTWHAA-NRFANRHFSA-N 432.546 1.122 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 1684365451 ATFZBDQHBLDBNK-UHFFFAOYSA-N 425.533 1.807 30 10 IDEE N#Cc1c(CCCNC(=O)NC[C@H](n2cncn2)C(F)(F)F)nn(-c2ccccc2)c1N 1687307378 JGWLHDLOYBDDRI-INIZCTEOSA-N 447.425 1.953 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1689991737 BSTUGTVGNVUJRH-INIZCTEOSA-N 437.591 1.755 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1689999676 GNZDBLFAHXIXMH-GOSISDBHSA-N 444.499 1.399 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC1 1690122177 JHBRNBGBFDWATP-MRXNPFEDSA-N 432.450 1.644 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)C(C)(C)C)CC1 1690136655 HYYABKNECSRGDD-MRXNPFEDSA-N 437.610 1.971 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1690319445 MZSWKHORSDCWEG-UHFFFAOYSA-N 438.536 1.389 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1693867380 IUSYFKSGKLIKEL-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNS(C)(=O)=O 1694258248 HJNVPIJNLCQYIY-QZTJIDSGSA-N 432.550 1.488 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(NC(C)=O)c2)CCOC1 1696084986 CLUONYYSPQFXLL-DENIHFKCSA-N 440.504 1.666 30 10 IDEE CO[C@@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1697225803 DRFLBXLOVHCFST-SUMWQHHRSA-N 437.298 1.570 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1698188492 CFDNBFNZHJKCLW-DOTOQJQBSA-N 448.549 1.387 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492347 BRNIHWWMPNMIGY-QUCCMNQESA-N 449.490 1.476 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705571402 YXQJEOMPWORFCZ-RBUKOAKNSA-N 434.537 1.789 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(Cl)c1 1705582696 HOBOGOPDORQORG-MRXNPFEDSA-N 432.933 1.985 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1705611221 UMRFUFBMGHVLJY-HKBQPEDESA-N 438.557 1.953 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)NC2CCCCC2)CC1 1705640684 AVUBNTRIIAJJRH-UHFFFAOYSA-N 435.576 1.858 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCCCO 1705700782 YNNZTRGBLODVAG-BZSNNMDCSA-N 426.583 1.760 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705744355 AFJJGPDQROPQDB-HNNXBMFYSA-N 425.965 1.206 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1705834431 KPZJIBUUEUODGA-IRXDYDNUSA-N 432.594 1.957 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705848453 KYYAAMFEGYBHPV-MRXNPFEDSA-N 435.550 1.912 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O 1705933514 JUQQNIUPOKFKHB-UHFFFAOYSA-N 447.970 1.075 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1706639031 BJCKRMCAAGLWEE-UHFFFAOYSA-N 435.488 1.687 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1710896349 OUSUHQMOIKOMID-UHFFFAOYSA-N 430.534 1.824 30 10 IDEE CN(C)C(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710983265 WNSQWPUGCFZOFB-UHFFFAOYSA-N 432.488 1.277 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1712101907 UBWRLSJWNZXOTL-SGLNWRHMSA-N 437.516 1.812 30 10 IDEE CS[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1712734680 XTTHIWJVJXZVFF-GOEBONIOSA-N 426.550 1.574 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1722353256 NLAXDWFVHFSEHI-HNNXBMFYSA-N 438.463 1.559 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C(C)=O)CC1 1722407726 QPCGOWZNGGMENC-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1722637237 GMRZAEGKZNXQPJ-UHFFFAOYSA-N 427.534 1.789 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1722697325 HWQHJXPXLYGMHV-IRXDYDNUSA-N 438.532 1.979 30 10 IDEE C[C@@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CC(=O)N(C)C)CCO2 1726765454 GQABUVQNDQEYBG-KSFYIVLOSA-N 440.504 1.201 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)C(C)C)CC1 1740704058 GWUIXBYWSZYRGV-UHFFFAOYSA-N 426.569 1.375 30 10 IDEE C=CCn1c(N2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C 1740949974 CFCBDJHCWLLZMN-KFWWJZLASA-N 439.582 1.888 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740966717 WBNYLUBJVDASAE-BFYDXBDKSA-N 441.598 1.368 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nncn2C)C1 1740977017 BQGXICKQAFCQMV-MRXNPFEDSA-N 425.493 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740990008 FZWHPAJIIZNSEY-KRWDZBQOSA-N 449.577 1.896 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1741002127 GDUSUFNTHUOSTC-OAHLLOKOSA-N 429.612 1.561 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1741209644 CIXNGNARGFHAMN-YJBOKZPZSA-N 440.504 1.824 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CCO1 1748223553 QXMULRGFSFGXSQ-MOPGFXCFSA-N 438.488 1.025 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748812157 RAYYDHFGGPRUTF-MRXNPFEDSA-N 428.543 1.666 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748847934 YYCWDIHCDDPYCX-IBGZPJMESA-N 441.557 1.544 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(CCC)CC2)CC1 1748977746 BGDQHHTYLKWBOW-DEOSSOPVSA-N 444.624 1.807 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C(=O)NC)CC1 1748984181 HTAIRBDVILPUOL-UHFFFAOYSA-N 440.548 1.490 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749755229 XHAORPXGJHUESE-HNNXBMFYSA-N 434.566 1.960 30 10 IDEE CC(F)(F)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1751179603 HAZACHKTGQDVOL-HNNXBMFYSA-N 431.447 1.988 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1752388793 TXEZLOQSVHJQIU-CALCHBBNSA-N 447.561 1.882 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1760194329 GIMJDMIYXPKSBO-FUHWJXTLSA-N 426.546 1.476 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1760197252 YSDXYQBOYINPTA-DHIUTWEWSA-N 425.533 1.402 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1760223281 CCTDNUFMAAGNHF-UHFFFAOYSA-N 440.529 1.083 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760249020 UHEOVKVSYVTVOO-GDBMZVCRSA-N 428.562 1.945 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccs2)CC1 1760270921 FSAIARXWMKSQJJ-UHFFFAOYSA-N 440.573 1.671 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](CC)OC)CC1 1760273561 YFVVHEWSUYATLC-OTWHNJEPSA-N 433.553 1.393 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760516913 XXZMGKDMIGPNGH-IERDGZPVSA-N 437.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760524134 PXLMEBGOVABOMJ-QZTJIDSGSA-N 429.525 1.232 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760526409 NFXGRWZIRXSDLP-INIZCTEOSA-N 426.477 1.109 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760528106 SCLGNXMBUSJMFZ-QFIPXVFZSA-N 440.573 1.897 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1760555427 FTLPJYKHHGYFMM-UHFFFAOYSA-N 436.582 1.531 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C3CC3)O[C@H](C)C2)n1Cc1ccc(C#N)o1 1763065480 UKGAEPDNHHUCNN-IIYDPXPESA-N 434.522 1.405 30 10 IDEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1765333115 GIAMVZAGKMWBDD-ONEGZZNKSA-N 449.559 1.764 30 10 IDEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1766575012 JJYJDVLNSOKCJU-JQHSSLGASA-N 432.550 1.668 30 10 IDEE CN(C)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766858460 LJNXLCOEWDWNBM-OAHLLOKOSA-N 439.520 1.575 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1767894984 HKVASXBRWWIUFG-KRWDZBQOSA-N 438.532 1.927 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCS(C)(=O)=O 1770196796 KZZCIFBZRYCERJ-IRXDYDNUSA-N 425.555 1.567 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)F)CC1 1771564848 XAROSJJTCXCMRL-ZPHPHTNESA-N 446.462 1.187 30 10 IDEE CCC[C@H](F)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855825632 PMVHSIJKEQFKLR-AEFFLSMTSA-N 436.509 1.130 30 10 IDEE N#Cc1cccc(C(=O)Nc2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccn2)c1 1860529972 XBZKOEYBCYUOJM-UHFFFAOYSA-N 449.492 1.825 30 10 IDEE C=CCNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1)c1ccccc1 1861605867 CRTLETFPOPVNDN-DYESRHJHSA-N 435.480 1.986 30 10 IDEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCNC=O)C2=O)cc1OC 1863159865 GLNDBMJGQPFLQS-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCCCC)cc1 1865722712 YIGCJSJAOHOPQW-INIZCTEOSA-N 440.500 1.260 30 10 IDEE CC[C@](C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868794375 BSOHZLPDNNKSFJ-UWJYYQICSA-N 433.578 1.643 30 10 IDEE CCCCCCCOc1cn(CCN2CCOCC2)c(CN(CCO)CCO)cc1=O 1870410861 ISDAZAWGDNQHSG-UHFFFAOYSA-N 439.597 1.316 30 10 IDEE CC(=O)N1CCC(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)CC1 1889556238 PVIQFWFCEUTWRJ-UHFFFAOYSA-N 432.609 1.282 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060623746 QGNDDPDNSWSOEZ-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)nn1 2060627164 GHVZDMYMWQIBQF-UHFFFAOYSA-N 435.334 1.967 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124538660 LYPLAHSQUQCJPD-OAHLLOKOSA-N 448.329 1.740 30 10 IDEE COC1(CCNS(=O)(=O)c2cncc(C#N)c2)CN(C(=O)OCc2ccccc2)C1 2174780671 XCLZYEKPRQRSLI-UHFFFAOYSA-N 430.486 1.659 30 10 IDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)B1OC(C)(C)C(C)(C)O1 2247962691 QCUYXGFVAUFTLB-HNNXBMFYSA-N 446.375 1.417 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248400745 ARRUYIGUMCJLJM-CYBMUJFWSA-N 425.266 1.344 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602234 OWRPLELEFPIKMO-UONOGXRCSA-N 436.318 1.121 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2255618330 HIOSOLXQYFPDGA-ROUUACIJSA-N 427.310 1.813 30 10 IDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255828709 WHAVICFQDQXOSL-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 2255950972 XDTBEKZOBSTVHT-UHFFFAOYSA-N 443.338 1.765 30 10 IDEE C=CC1(NC(=O)c2nn(C)c(B3OC(C)(C)C(C)(C)O3)c2C)CN(C(=O)OC(C)(C)C)C1 2266998820 TVHQCAVCYSAYGH-UHFFFAOYSA-N 446.357 1.933 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267126111 JXENSZBCBNASHK-HZPDHXFCSA-N 446.357 1.943 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2 2267219547 FKPVYMQMGRTUIO-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nc1B1OC(C)(C)C(C)(C)O1 2267495372 ZSZMWBLUCNZKIL-GOSISDBHSA-N 440.353 1.350 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2267523381 AOKLDFGCFJZLFI-LSDHHAIUSA-N 446.357 1.862 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)n1 2267544575 WOEAWTUUGRTODW-CQSZACIVSA-N 449.361 1.491 30 10 IDEE COCCOCCN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267549859 QUDZEVBPKLPEJP-UHFFFAOYSA-N 444.341 1.420 30 10 IDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)cc1O 2331273734 PIUIHLZIQJQHGA-UHFFFAOYSA-N 434.503 1.948 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(c2ncnc3c2cnn3C)CC1 28178550 CNMHNKDUJKXSAI-KRWDZBQOSA-N 448.531 1.829 30 10 IDEE COC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)ccc1Br 438749214 FBZHVQFDUIWJBN-UHFFFAOYSA-N 439.310 1.868 30 10 IDEE CCO[C@@H]1C[C@@](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)(C(=O)OC)C1(C)C 440858768 JRBDMKZBMRETGL-OWDMVUQNSA-N 437.518 1.088 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447282714 JYBPPXFOWBAHBC-UHFFFAOYSA-N 428.464 1.497 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1C[C@H]1CCOC1 461533967 IMKBOCVMYGAPEB-QZTJIDSGSA-N 445.531 1.677 30 10 IDEE C[C@H](c1ccccc1)[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 474702435 DBMLRWCQVKCURB-VGSWGCGISA-N 427.526 1.946 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1C 505135312 JBQLGNQTKLSIJO-UHFFFAOYSA-N 431.518 1.339 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 507473071 UFMSDCHEGIMCMD-BFWZDYSYSA-N 435.550 1.660 30 10 IDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508845978 PUJQURNFVCIHNK-HXUWFJFHSA-N 445.589 1.994 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(OC)nc2)c1=O 533120434 NVFQEZAJHGWDBK-UHFFFAOYSA-N 435.509 1.391 30 10 IDEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549292622 WSFUCOANKNJICY-UHFFFAOYSA-N 438.598 1.286 30 10 IDEE CN(C)CC1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 569756157 YECIZWMDDHXJKQ-QLOJAFMTSA-N 425.533 1.406 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C 590943554 NPQDIZOQQUQKMW-OAHLLOKOSA-N 439.562 1.923 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 603797294 BCSYFFBVWSEQQE-OAHLLOKOSA-N 431.464 1.149 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(Cc4nccn4C(F)F)CC3)cc2)c1N 608926141 FZDIXKCMUJKIPB-UHFFFAOYSA-N 426.431 1.876 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1C 623010594 DVBCNHPZMUVVBG-UHFFFAOYSA-N 439.537 1.187 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)CC(F)(F)F)CC1 726947716 FRFMSKGKEDFFHH-UHFFFAOYSA-N 446.451 1.175 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735294800 JTJHEROYLBJAQX-UHFFFAOYSA-N 437.477 1.496 30 10 IDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)Cc2cccc(C#N)c2)CC1 750429071 AUXHFSQTYGZRNI-UHFFFAOYSA-N 448.523 1.989 30 10 IDEE C=CCN(C(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)[C@H]1CCS(=O)(=O)C1 767869756 PAJDCYVGNNEOIV-HMQMGEFJSA-N 440.562 1.650 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](C(=O)O)[C@H](O)c2ccccc2)c1 776596186 INCFDPAMCBCMLD-LSDHHAIUSA-N 425.260 1.786 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CCCC1 779318233 NNLZAFAQNMHRRQ-AWEZNQCLSA-N 445.588 1.821 30 10 IDEE C[C@@H](CC(=O)NCCc1nc(-c2ccccc2)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 784789393 CDLGWZAFJFMCAZ-AWEZNQCLSA-N 438.513 1.648 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 794594989 DOEFLRFPVOUUHM-INIZCTEOSA-N 437.546 1.913 30 10 IDEE C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 811365023 OTONTWMEWUCBLO-LDLBOXJGSA-N 432.476 1.147 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC(C)(F)F)C1=O 814709696 DYIQBNHHQPQPIY-ZLNYZARCSA-N 427.521 1.647 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 816758839 YTLWFQLQAQYHFB-KBPBESRZSA-N 446.323 1.099 30 10 IDEE CC(=NNc1nnc(SCC(=O)NCc2ccco2)n1N)c1ccc2c(c1)OCO2 1083965187 WCZLVNZXAUNRDB-UHFFFAOYSA-N 429.462 1.558 30 10 IDEE C=CC[C@]1(C(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 1116750738 NWZUBVSVXGYMLV-HXUWFJFHSA-N 437.518 1.936 30 10 IDEE CO[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)OC(C)(C)C 1125188744 HLVOVEOXSCIXKM-KQRQPNSISA-N 425.507 1.795 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)COc2cccc(C#N)c2)cc1 1128863046 CAXOQFBMUQUEPZ-HNNXBMFYSA-N 425.441 1.884 30 10 IDEE C#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cc1 1129225022 MNBSIIADALSEBS-UHFFFAOYSA-N 425.510 1.451 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1133887353 KCCWHBUQLXQHIV-SCLBCKFNSA-N 440.378 1.764 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)NCc2cccs2)s1 1136745275 RQBDMRGUJPQNON-UHFFFAOYSA-N 427.573 1.591 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(CC(F)(F)F)C2)s1 1160459275 QOEGDJJVTQPHFW-LBPRGKRZSA-N 425.498 1.898 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2ncnc3cc(F)c(Br)cc23)CC1 1187438436 WMUIWDGQMWJWFR-UHFFFAOYSA-N 428.287 1.121 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1230746100 MGYZVQHBRAYJOT-CQSZACIVSA-N 439.538 1.174 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CCO2 1248651949 VPOUPLNXPOJQNP-YAPFMDDRSA-N 436.509 1.545 30 10 IDEE C#CCOCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1266570590 PMMBZVDTKZMBGU-WBVHZDCISA-N 428.348 1.809 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1286352974 PKKUMJGIMNMLTO-QZTJIDSGSA-N 449.533 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(F)cn2)CC1 1286491315 MYOIVULUNJPZOD-UHFFFAOYSA-N 433.491 1.812 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1 1286581984 PHMAYMKVGWSNAY-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286606021 DMFHAZQUBVFWGQ-HOTGVXAUSA-N 434.541 1.925 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1286628782 GGQBETZVUIMYMI-HUUCEWRRSA-N 433.962 1.226 30 10 IDEE C=CCn1c(CC2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286775242 WVTVTDZEEUBOKP-BZUAXINKSA-N 437.566 1.543 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286787118 OQPZQPOINFWEQA-HNNXBMFYSA-N 425.497 1.131 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286788058 PGCMWYRXQYZQEU-MSOLQXFVSA-N 430.553 1.565 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1286814592 CYLYZHYGLKGQOH-KRWDZBQOSA-N 428.518 1.119 30 10 IDEE CC(C)(C)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1287013642 DDJWSWXJBDXWCW-MYDZZUQKSA-N 441.536 1.628 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)c1 1299117154 QGPRBYUPEIEMLJ-UHFFFAOYSA-N 444.366 1.949 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@@H]1C 1299434878 HQLZXSNYWCCFCO-YJBOKZPZSA-N 426.477 1.509 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300484738 RXHIYCIORZKCFQ-DLBZAZTESA-N 437.566 1.613 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1300493154 RNGWIFCVFLGBBY-HNNXBMFYSA-N 431.518 1.599 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300504623 PEEUCYMMBRWSMB-JKSUJKDBSA-N 436.509 1.658 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)nc2)CC1 1300719737 OGJYMSYSDCBHMC-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COC)CC1 1301085832 BKDIVRUFRGAIKC-MRXNPFEDSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1301475426 REXOHKQLPSFMJL-UHFFFAOYSA-N 430.484 1.600 30 10 IDEE CCOC(=O)c1[nH]cnc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1304142910 VTPVORFBDINPFF-UHFFFAOYSA-N 432.278 1.973 30 10 IDEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1305603309 BGJZRXCTWZKZDJ-QGZVFWFLSA-N 445.593 1.629 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1305626888 GAWBRXHIUCJSIC-OAHLLOKOSA-N 432.550 1.602 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)c(OC)c1 1315427497 VRLAZCLXZKSJEY-KRWDZBQOSA-N 430.509 1.269 30 10 IDEE COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1316268173 WZWAWTBFQNLFQL-GOSISDBHSA-N 439.520 1.090 30 10 IDEE CC(C)c1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cs1 1317976410 JKEBLYWZMASRSI-HNNXBMFYSA-N 444.582 1.450 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1358960302 BGPWXAWXQPIVRO-HNNXBMFYSA-N 428.543 1.666 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(CC)CC)N1CCOCC1 1358967606 NVDRTUPXBKAGSZ-OAQYLSRUSA-N 440.592 1.724 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1358984695 DJXBTJDWFQXQLQ-SFHVURJKSA-N 442.589 1.461 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN(C(C)=O)C1 1359026227 OVIAGCOEBIWYNJ-SFHVURJKSA-N 430.578 1.978 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCCC)CC1 1359034340 MNEKZTOZPPRMDF-UHFFFAOYSA-N 433.516 1.882 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CC)CC1 1359040014 FCOWEVXBCXZXHF-QFIPXVFZSA-N 439.520 1.052 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C(C)C)C(C)C)CC1 1359045283 BRZJLAZJXIKUCM-FQEVSTJZSA-N 430.597 1.867 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359059920 FIAUTMVVRPMCSG-CABCVRRESA-N 444.586 1.351 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC(F)F)CC1 1359165249 LIDHACNKUWWAGG-AWEZNQCLSA-N 435.497 1.049 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359222018 WCHGPANRTNGBMO-QGZVFWFLSA-N 427.509 1.623 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1359240393 MZDZUDMKYXZAAW-YJBOKZPZSA-N 433.534 1.409 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359296670 QIMSPDKOKONCPF-JOCHJYFZSA-N 440.504 1.123 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359632601 KWKXWABBCZMHJY-PKOBYXMFSA-N 429.569 1.511 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)C1=O 1448522835 VLEIYKIIIHOUMV-QMIVOQANSA-N 427.423 1.217 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 1450624653 PNCGSTQHWIDWCX-MRXNPFEDSA-N 431.514 1.506 30 10 IDEE Cc1noc(C)c1CSc1ncccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1462989175 OMWNCPGFJWJFNW-LIRRHRJNSA-N 432.527 1.989 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)n1 1467017686 FPQOOZPZVOUGQJ-UHFFFAOYSA-N 445.545 1.732 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1468015988 GPZUDVCFOYGFSQ-CABCVRRESA-N 443.447 1.081 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1503833009 BASVUPYSXMFGDI-INIZCTEOSA-N 430.534 1.371 30 10 IDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1O 1504262546 BCMQOPWRMMHBRV-SGTLLEGYSA-N 438.485 1.093 30 10 IDEE COc1cccc(Cl)c1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1504360001 AVAQJLJTFJVFQA-AWEZNQCLSA-N 430.896 1.840 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1504829953 RRTOCTTUUQURQM-UHFFFAOYSA-N 448.549 1.283 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507570430 OOAYCOYWQTZBPZ-HXUWFJFHSA-N 428.581 1.753 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1507629459 MMXGMXUNNFIZSE-RBUKOAKNSA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507632317 ZCMCRAIETIRRPI-RTBURBONSA-N 447.609 1.282 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C)CCOCC2)CC1 1507733579 DIXMHVGYGXRRFX-UHFFFAOYSA-N 430.553 1.199 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1508070872 FVYFTYAXVOUTGP-ZBFHGGJFSA-N 432.550 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C2CCOCC2)C1 1508141815 OSZCCNTUWRYNRQ-SJORKVTESA-N 437.566 1.083 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN2CCCC[C@@H]2C1 1508143799 KJNZFFFIQKNBKO-LJQANCHMSA-N 430.578 1.539 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1509951630 HDAXXOYWQLBKRR-MRXNPFEDSA-N 438.536 1.509 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@H]1C 1515769791 AKYGKIVZZXJZPE-YWZLYKJASA-N 433.534 1.228 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)C1 1517411222 CYVUQISOEQWZHF-IAGOWNOFSA-N 438.305 1.544 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1518446854 ZHTWUVOIFIYXES-DSGGYQJVSA-N 438.488 1.705 30 10 IDEE COCCN1C[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1519219586 GSRZUZQEHATLPU-PMACEKPBSA-N 438.532 1.287 30 10 IDEE COC(=O)c1ccc([C@@H]2CCCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1C 1537933304 XJSBVITWZDPJJM-INIZCTEOSA-N 444.513 1.604 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539205010 DXDHYUWLPYNZJM-WMZOPIPTSA-N 432.546 1.937 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(O)c2)CC1 1539431549 VLLIHAVBQHLNAE-HSZRJFAPSA-N 425.533 1.828 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2SCC(N)=O)s1 1540512911 PXCHUEGMMPFYIW-UHFFFAOYSA-N 425.557 1.971 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1540863198 QZSIMSZWPDOCGW-OLMNPRSZSA-N 433.484 1.709 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C)cs2)C1 1540883960 HVSMLDNENPAJGG-UONOGXRCSA-N 426.568 1.483 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1540909837 QMSNGVJOVKCIGS-HNNXBMFYSA-N 429.612 1.814 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1541116025 IENMGKLMAVKEBU-YTQUADARSA-N 440.552 1.588 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1C[C@@H](C)N(C)C 1541841654 HFDCEBJJRHGENH-SJORKVTESA-N 432.536 1.667 30 10 IDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 1544161840 CAYDGTNLOGWKJW-QFIPXVFZSA-N 447.430 1.992 30 10 IDEE CO[C@H](CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1554621894 ZUASSAJDPQZHTP-SMDDNHRTSA-N 442.398 1.702 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1555280134 DKRBDEYORUVEDE-ZWKOTPCHSA-N 430.484 1.234 30 10 IDEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1558024822 ZYOHPJMJDOSYGJ-KRWDZBQOSA-N 446.451 1.175 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1560080232 UCKMDLHEZUFYMQ-UHFFFAOYSA-N 436.534 1.578 30 10 IDEE C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585660339 KQIXWHUPSKLSHE-QHRIQVFBSA-N 432.527 1.354 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1587755068 SHSSDDSSZAFAGV-LJQANCHMSA-N 436.564 1.672 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 1587943595 DSPQKVQKGVCKFC-SJORKVTESA-N 438.569 1.960 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1588059599 QTDCYCDMZLYCRR-GJZGRUSLSA-N 433.500 1.351 30 10 IDEE COCCn1cc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(O)nc1=O 1588243438 GHTMPPKPUSHGAP-UHFFFAOYSA-N 429.452 1.139 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1588806160 IKBXGIJJYGNOLU-UHFFFAOYSA-N 442.589 1.761 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1588835547 AXSHYXIKOCQHFV-JOCHJYFZSA-N 428.968 1.344 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1594733420 SUDARXYZOIXQHH-INIZCTEOSA-N 447.565 1.272 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1595021126 UQQSDBUGDZDJRK-UKRRQHHQSA-N 431.584 1.010 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCNC(=O)[C@H]1CC 1595577232 LZYYJSCWMJFAQR-GOSISDBHSA-N 426.521 1.491 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)cc1 1608111983 GDLOJJZGVZYHKM-SJORKVTESA-N 439.509 1.675 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4cc(C#N)ncn4)CC[C@H]32)CC1 1612487494 HAGVNXZBQBLCDD-DLBZAZTESA-N 427.509 1.720 30 10 IDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1618970677 GWAQYDDRLSEDAD-USXIJHARSA-N 434.522 1.005 30 10 IDEE COCc1nocc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1619679081 FEDWUWQXPYOICR-LJQANCHMSA-N 445.480 1.894 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1623951111 OEPKGKWQWAMKKZ-HTAPYJJXSA-N 449.378 1.760 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1625673689 CUGMEDKYNUAJCN-AWEZNQCLSA-N 428.367 1.562 30 10 IDEE COc1cc(N)c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1S(C)(=O)=O 1628895179 NVFKRUOAKLTZIW-GOSISDBHSA-N 428.514 1.704 30 10 IDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)[C@H]1CCCO1 1633396696 CGNFJQPWRKHQLK-HRCADAONSA-N 426.560 1.584 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ncccc3S(C)(=O)=O)C2)C1 1634769391 FBKRCEIRVZIDEJ-FAGJFJLWSA-N 448.545 1.888 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(Br)cn1 1635910857 OOBJQVROIACHAN-UHFFFAOYSA-N 437.319 1.979 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)C1=O 1638999172 VDVFNQLCKSRUIB-MRXNPFEDSA-N 444.463 1.047 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(c4nnccc4C#N)CC[C@@H]32)CC1 1640028789 AVALOJBAJXARTI-IRXDYDNUSA-N 427.509 1.720 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c1 1642687088 MXUGYGHRYHTGNU-MOPGFXCFSA-N 440.525 1.243 30 10 IDEE CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1648790728 SGYCWGKHBVGMGX-DLBZAZTESA-N 443.504 1.487 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 1659882978 DTIOIZKPZQDXTM-UHFFFAOYSA-N 449.577 1.168 30 10 IDEE CC(C)C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)N1CCOCC1 1683382867 SJFWXUVTNKFMLZ-KRWDZBQOSA-N 444.536 1.529 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(CC(N)=O)CCCCC3)CC2)cc1 1684172187 KKSMXOLFDXDDGM-UHFFFAOYSA-N 447.561 1.400 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCc3ccc(N4CCNC4=O)cc3)CC2)c1C#N 1684845493 FPNOTIWMYZKCJD-UHFFFAOYSA-N 425.518 1.885 30 10 IDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1685524764 KKLOOMADAFEOQS-UHFFFAOYSA-N 425.458 1.513 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)NC(C)C 1689835257 JFXIHWGFPONOJU-HNNXBMFYSA-N 435.550 1.748 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)COC)CC1 1689887072 ODWBCSODXAJICB-UHFFFAOYSA-N 428.493 1.104 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1689996528 JCFDAXPGOYTWNB-OAHLLOKOSA-N 437.497 1.054 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1689996791 OHNMFEBHBVRZFP-INIZCTEOSA-N 433.559 1.137 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689998133 CITKHYSYIFHIOG-ZWKOTPCHSA-N 444.561 1.266 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690073635 BGABKGQQOVBDLK-LJQANCHMSA-N 435.532 1.038 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690218666 OAZOIEBXOWQQTN-RYUDHWBXSA-N 449.265 1.948 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690242787 CMQKGYINLSFUIB-SCTDSRPQSA-N 448.593 1.783 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1690256737 UOGZPROKVHBQCG-LSDHHAIUSA-N 433.600 1.116 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1690484835 FKWVXRNLEOUIGC-LJQANCHMSA-N 447.609 1.592 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1690661988 NLXFKFNSXSDGJS-QHCPKHFHSA-N 433.516 1.806 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)NC)C1 1690710141 PCIHFAYZDJCQKE-QGZVFWFLSA-N 444.561 1.681 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1695931384 HFBUXANPIIMGOP-YJBOKZPZSA-N 444.561 1.717 30 10 IDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705515807 NBPYOWDDRAOUFQ-IBGZPJMESA-N 430.553 1.897 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OC)c2OC)CC1 1705639165 HTEKPNZAVVIZEA-LJQANCHMSA-N 425.533 1.993 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705658616 VLCXZYHCKJKGRW-SFHVURJKSA-N 438.561 1.820 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705744698 MEQPWXYJPCPYHK-CRAIPNDOSA-N 449.987 1.255 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1 1705912648 PQECSLLBJJGNCP-MRXNPFEDSA-N 449.577 1.710 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1706020946 BGQNFPGCIFXZPX-SFHVURJKSA-N 442.545 1.499 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1706074446 ZKVDTVOUDBFNOM-HNNXBMFYSA-N 429.550 1.972 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1706187839 HBZUARFBAYENMO-FZPQWHJUSA-N 434.522 1.282 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCO1 1708735424 RVSWGBNLOVNCKF-QGZVFWFLSA-N 439.520 1.910 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1710124148 HYVNNYMHAOWQTC-YLEKHRKWSA-N 430.509 1.661 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 1712885224 DJJYBSDUAGVHIM-MRXNPFEDSA-N 436.538 1.153 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1722391166 YAVQOCAHGUMIRM-SJLPKXTDSA-N 448.618 1.716 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCCO1 1722420517 HMEQKTYCYZWKFV-KRWDZBQOSA-N 446.577 1.812 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1722428287 DNAUQBMCTNOIHS-MRXNPFEDSA-N 442.607 1.178 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Cl)CC1 1722436613 CNFLSJUONUWMIX-KRWDZBQOSA-N 433.965 1.637 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCNC(=O)C2)cc1 1722703113 VPWUCLVVXVXHIO-UHFFFAOYSA-N 433.472 1.475 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)C1 1722710819 OSAASHKIOIMZSO-DZGCQCFKSA-N 441.504 1.996 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1722712840 AIGMSCOXTZMARU-ZCNNSNEGSA-N 445.612 1.284 30 10 IDEE CC(C)(O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1723033959 MTKBAIQNODPXPP-SJLPKXTDSA-N 445.545 1.185 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1729188601 UQACXYQXINXIDK-DCOQFNDQSA-N 438.554 1.187 30 10 IDEE CS(=O)(=O)CCCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1731005956 KUCJUBMLZDNYII-GOSISDBHSA-N 429.546 1.912 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)CC1 1740696037 KTGWQAKJAOIEQH-MRXNPFEDSA-N 447.536 1.131 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740786238 WAFGVEXGDHNISO-JOCHJYFZSA-N 434.585 1.541 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740786490 FQKVVUQXLFOQDD-GOSISDBHSA-N 442.568 1.904 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1740997327 QLBZQXWWRQTCHP-MRXNPFEDSA-N 449.602 1.970 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1745165774 GVNGLOUPKWMXCK-JOCHJYFZSA-N 426.521 1.663 30 10 IDEE CCN(CC)C[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1746172044 HAHZIOPWJCBGKI-QQMHEVNUSA-N 427.553 1.850 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCCN2C2CC2)CC1 1748978156 NLBBTAFGEZRWRM-TZIWHRDSSA-N 430.597 1.774 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1749717166 HNBZKDZPPAHUKI-ZOCZFRKYSA-N 447.561 1.591 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1749719610 YAIUZBFXZBKQIW-WZONZLPQSA-N 443.548 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C)c2ccccc2C1 1749730764 PRPSXMCJXULQMA-UHFFFAOYSA-N 439.545 1.792 30 10 IDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCCO1 1751302545 DFBOZAKGKXUPFD-OAQYLSRUSA-N 444.561 1.858 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2ncn(C)n2)c1 1760126354 WBFHWGYDFHFKTF-UHFFFAOYSA-N 427.472 1.573 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(CC)nn(C)c1OC 1760171111 VOYCEUYDRGYYLC-UHFFFAOYSA-N 446.515 1.614 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1760186672 PYNXPSRJWIRMKB-IAGOWNOFSA-N 432.546 1.943 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760188647 PUAWKOWUVXLBMS-IKVWTGGYSA-N 438.594 1.596 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@]2(O)CCN(C)C2)n1 1760251794 GMWJGFZYMPIHQH-HSZRJFAPSA-N 441.580 1.485 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1760272536 NPMNLBZWOPJTRX-QGZVFWFLSA-N 443.577 1.449 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760279789 FPAXFXBJEMRWAH-ZWKOTPCHSA-N 443.577 1.314 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760312730 CVVVXJYYZGMNCB-CYBMUJFWSA-N 434.360 1.556 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760428608 ZQADQBFSIIMKCJ-AEFFLSMTSA-N 434.566 1.848 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760445372 HVQNSEYCIBBPRE-HUUCEWRRSA-N 428.449 1.632 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1760504859 DPGRIURVXXUDLN-KRWDZBQOSA-N 444.561 1.709 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1760533394 FXMPOIPXFZPANC-DLBZAZTESA-N 437.566 1.120 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)C(C)C)C1 1760544563 BXBBRJWEBVFSFE-INIZCTEOSA-N 444.536 1.949 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760552648 WASVSJHOUSGLLB-QGZVFWFLSA-N 449.577 1.659 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCSCCCO 1763044119 MOJUEJAGFOFDJA-OAHLLOKOSA-N 428.566 1.648 30 10 IDEE CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1764216374 SVNFOUFEBZPBPY-RHSMWYFYSA-N 430.509 1.962 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](F)(C#N)C1 1764672228 CSFBHIYVBCOSCI-OAQYLSRUSA-N 446.531 1.991 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1766081328 GDYYPDJHGZCORX-VFNWGFHPSA-N 428.468 1.976 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1767008965 ZZVPBIXZVJLIJE-UHFFFAOYSA-N 439.520 1.026 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC3(CC2)COC(=O)N3)n1Cc1ccc(C#N)o1 1771192184 DTIIKRWVGRNPQW-CQSZACIVSA-N 430.465 1.594 30 10 IDEE CS[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771390484 PQMNXHYNYNLREJ-QWHCGFSZSA-N 448.574 1.467 30 10 IDEE Cc1nn2c(C)c(C(=O)NCC(=O)N3CCN(c4ccccc4F)CC3)cnc2c1C#N 1851243618 ZTIIGMMWHMIQKT-UHFFFAOYSA-N 435.463 1.436 30 10 IDEE Cc1ccc(C(=O)N2CC(C(=O)N(C)c3snc(N4CCOCC4)c3C#N)C2)cc1 1851675511 JSPPOIOOLJYJOX-UHFFFAOYSA-N 425.514 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)C1 1851946351 QGCOPBULRRYGQV-GOSISDBHSA-N 429.521 1.922 30 10 IDEE C=C[C@@H]1CCCCN1[C@@H]1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1854535400 CDTCJSNXXKXPEK-NVXWUHKLSA-N 431.514 1.389 30 10 IDEE C=CCn1c(C(=O)NCCCOC(C)C)cc2c(N3CCN(CCO)CC3)ncnc21 1873593081 DSGKLRUGDJYSTP-UHFFFAOYSA-N 430.553 1.277 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 1899544005 PPKROVJAJZHHHG-CYBMUJFWSA-N 432.348 1.228 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010507686 KKPRCMASBQGQHO-AQNXPRMDSA-N 428.533 1.841 30 10 IDEE C=C(CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2020910362 WGBIQGOGFIAURR-CQSZACIVSA-N 444.359 1.324 30 10 IDEE CC(C)(C)OC(=O)NCCONS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243435852 YECINQQLSIIPIS-UHFFFAOYSA-N 448.372 1.782 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2248405419 UIRQZVAUCDWLNU-GFCCVEGCSA-N 441.721 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255613384 CAQYLOSJKJNEFC-ASSNKEHSSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631864 FSSZWHUFQCQMTK-FQEVSTJZSA-N 438.309 1.788 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255693862 JKAIBDZFZYZIMW-QWHCGFSZSA-N 435.334 1.005 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 2255881383 WAQWWYWPVVWHMB-ZDUSSCGKSA-N 433.318 1.020 30 10 IDEE Cc1nc(NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256680210 SQQIILNRGJHKHY-ZDUSSCGKSA-N 436.318 1.298 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2264618648 OTAJJQBJUIUWNB-GJZGRUSLSA-N 448.329 1.475 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267539082 YDJAVKXGQPDXJK-AAEUAGOBSA-N 442.247 1.447 30 10 IDEE CN(CCOCCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267587483 XYBSIDSWQULZLQ-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE CN1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@@H](CNC(=O)C(F)(F)F)C1 2268997584 HTJAVHSQFFXCOO-ZDUSSCGKSA-N 446.254 1.319 30 10 IDEE C#CC[C@@H](CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2286042169 TZVGQOHTHSSHQD-OALUTQOASA-N 436.530 1.766 30 10 IDEE CCCOc1c(OC)cc(C=NNC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 2323044297 FZIIZZPCORNQAE-UHFFFAOYSA-N 425.511 1.522 30 10 IDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc(OC)c1 20806442 WSFWNVWWLGHCQS-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE CCN/C(=N\CCO)S[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 59490305 JCNCTWRHKJZBAP-LBPRGKRZSA-N 447.298 1.614 30 10 IDEE CCOc1cccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72443911 XNGMGHIFJILEBZ-HOTGVXAUSA-N 436.472 1.094 30 10 IDEE C#CCN(CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 111048027 HWVPEGLJRMJJEJ-FQEVSTJZSA-N 428.558 1.287 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 443916115 DYHUJXRNPBJHHR-UHFFFAOYSA-N 433.306 1.351 30 10 IDEE C[C@H]1[C@@H](C(F)(F)F)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 470956846 DXVDMDQLOZJCQT-HOCLYGCPSA-N 444.479 1.664 30 10 IDEE CN1C(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C(=O)C12CCCCC2 505348046 CNSXROSFIRGSIB-UHFFFAOYSA-N 427.480 1.943 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508487603 GOIFUVIQKZYZSY-INIZCTEOSA-N 425.493 1.187 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CC1 514563980 KWDUGVRXWGMLAF-SFHVURJKSA-N 426.546 1.920 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 515452325 WYXABULIBWDWOR-UHFFFAOYSA-N 429.517 1.109 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 515651403 JFKDWCBIMLAAPM-HNNXBMFYSA-N 427.482 1.725 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1 517753192 XFKNIBDGNFYNBU-UHFFFAOYSA-N 443.367 1.029 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O 521464899 DLYPQKDTDLQMQH-AWEZNQCLSA-N 441.419 1.559 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1 523969195 AUNUXHQVFIHOLC-KRWDZBQOSA-N 441.528 1.662 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 524365626 QHNMVMSGUYESAQ-SFHVURJKSA-N 430.530 1.028 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 530315535 QBNITVRUJWYUQX-QGZVFWFLSA-N 426.542 1.738 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 537250192 YSIHNGSJWBYBCE-RTBURBONSA-N 429.590 1.791 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544831571 GWJHUEOTQAFRRJ-UHFFFAOYSA-N 427.530 1.946 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC3CCCC3)CC2)n1 545490169 BXPNHDUUBZHJPM-LJQANCHMSA-N 440.548 1.323 30 10 IDEE COc1cc2c(cc1C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)OCO2 546068419 WGWSYXLPGWQDTE-UHFFFAOYSA-N 429.454 1.442 30 10 IDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc(O)c1 546101892 DLLXNNGMXJKLTN-XLIONFOSSA-N 428.514 1.666 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN2CCOC[C@H]2C1 549691521 INGYZLXQUUVXNI-MRXNPFEDSA-N 431.566 1.335 30 10 IDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 550091079 ZWIXFPZHFUHXJV-QZTJIDSGSA-N 445.545 1.636 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 569142507 SIPOFRXVWVYZOZ-OAHLLOKOSA-N 442.545 1.639 30 10 IDEE Cc1cc(N2CCN(c3cccnn3)CC2)c(C#N)c(N2CCN(c3cccnn3)CC2)n1 590576434 RWNZAMPKBLSUCZ-UHFFFAOYSA-N 442.531 1.495 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3nc(C)no3)CC2)cc1 606553942 ZLSLWIMQRWEESM-UHFFFAOYSA-N 434.522 1.534 30 10 IDEE CN(Cc1cc(C#CCO)cs1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703981013 NHHZVIDILODCBZ-UHFFFAOYSA-N 432.523 1.540 30 10 IDEE COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 726178403 HYQWTDQYLKGOJI-UHFFFAOYSA-N 437.525 1.255 30 10 IDEE CN(CCC(=O)Nc1ccccc1C#N)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 728915908 LTOMOOWHBZQFAO-UHFFFAOYSA-N 429.521 1.898 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H](C)CN2CCN(C)CC2)C1=O 730137085 CRILUUGIRLBCTA-CRAIPNDOSA-N 428.562 1.262 30 10 IDEE COc1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1S(=O)(=O)N1CCCC1 734654979 BHWMLPZCCATMFV-KRWDZBQOSA-N 433.534 1.684 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 740846844 KRJFZZGPWUEVSV-ZBFHGGJFSA-N 441.575 1.177 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749336917 GSHVPBSIUQZASL-HNNXBMFYSA-N 439.540 1.419 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 751368285 AKJRQFNUFVHODK-OAQYLSRUSA-N 430.464 1.464 30 10 IDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 753205963 RYSMOWAKPHUBEY-AYOQOUSVSA-N 427.505 1.825 30 10 IDEE CC(C)c1c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnn1-c1ccccc1 753836679 DNNYERULVXKALO-ZZEZOPTASA-N 436.472 1.577 30 10 IDEE COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1F 768681814 QWHFUQXWKBDMMU-UHFFFAOYSA-N 430.392 1.286 30 10 IDEE Cn1ccnc1C(=O)[C@H](C#N)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 770866538 SNPITKIJPMXVJN-CYBMUJFWSA-N 429.230 1.760 30 10 IDEE CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 781398763 DHFVGMPDMMAIRU-UHFFFAOYSA-N 426.517 1.192 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)c1ccc2c(c1)OCO2 787737704 JXXHHIZPWGWEQX-RBZFPXEDSA-N 445.497 1.472 30 10 IDEE COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cncc3ccccc23)c1=O 794583177 XMDMMXKWOGZFQX-QGZVFWFLSA-N 449.532 1.603 30 10 IDEE C[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)n1cnc(C#N)n1 798353219 COBOKHDPKQBCQE-BXRZMRDGSA-N 440.441 1.292 30 10 IDEE COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 798859741 NGOQWHDVFKCIBD-GHMZBOCLSA-N 427.870 1.283 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)/C=C\c2ccccc2C#N)CC3)CC1 803415271 MGWKEQCNWLYAHB-MJRGOJFPSA-N 432.528 1.534 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)cc2C1=O 816199398 VRUQEHWXUOSRFD-UHFFFAOYSA-N 439.453 1.177 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 919636858 BRNFBXLYTPXXQF-SFHVURJKSA-N 439.472 1.342 30 10 IDEE CC1(C)CC(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)CC(C)(C)N1 1084186196 YDVCJXGAFOLPCY-UHFFFAOYSA-N 446.581 1.661 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 1084186641 ULPVCWIXBFVKTA-UHFFFAOYSA-N 426.462 1.350 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)c1 1084258870 UYRFWXQRKDOEMI-UHFFFAOYSA-N 428.478 1.581 30 10 IDEE CC(=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1cccs1 1084392889 DLMFLKKLIIALAD-UHFFFAOYSA-N 431.507 1.138 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2=O)cc1 1130215536 JWRRWDBXAZHSMN-NVXWUHKLSA-N 425.466 1.262 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)nn1 1137588305 WKEMAWWTHAQHOK-SJLPKXTDSA-N 446.552 1.832 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(C3CCN(CC)CC3)CC2)cc1 1142468400 VFKCAAHPPBBEFP-UHFFFAOYSA-N 434.606 1.783 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)ccc1F 1159991089 LBFZBDOMDMHGLZ-HALDLXJZSA-N 439.509 1.885 30 10 IDEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CSC1 1171875232 CSHUHLRWZJKJGG-UHFFFAOYSA-N 443.978 1.350 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)[C@@H](C)O)cc1 1179404507 FYBJZZWNNCJOTC-CZAAIQMYSA-N 443.525 1.495 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1219095709 MNCZEZVJTRMQLX-OAHLLOKOSA-N 429.564 1.970 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1286291024 UYSOMDIHWVSHGC-ZDUSSCGKSA-N 426.502 1.955 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnnn2C)CC1 1286489108 FZTKTLGONPWYCO-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286782950 IKWATHSJEGMPLV-SFHVURJKSA-N 426.565 1.967 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3C[C@H]2CO3)cc1 1286794653 NJIRIBKKYGAESS-IEZWGBDMSA-N 447.561 1.869 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)COCCO2)C1 1286798030 GHDBRXFPPTWBJJ-KKSFZXQISA-N 428.493 1.512 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1288531779 SSUQLSRRYOEHTN-SOUVJXGZSA-N 440.570 1.832 30 10 IDEE C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291146372 CJMUMKGWGSNTDO-STGLLQLASA-N 436.476 1.298 30 10 IDEE CCCN(CC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1294548742 RVDIFSDYLJKISP-GOSISDBHSA-N 448.549 1.750 30 10 IDEE CCN(CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1295559579 GHDWNEFYSGFXLB-OAHLLOKOSA-N 435.536 1.944 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 1299756645 YJZMMLIGBJXZMQ-NWDGAFQWSA-N 430.324 1.796 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300486791 BGJTUCUCVALLHB-ZWKOTPCHSA-N 430.578 1.632 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1300495215 FNMIAAALPFRJGR-DYESRHJHSA-N 433.578 1.114 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1300556100 BXIKMQYQVVQAPG-OAHLLOKOSA-N 433.509 1.547 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)c2ccco2)CC1 1300707656 HHHWCRPBLHBKTO-UHFFFAOYSA-N 448.527 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(C)COCCO2)CC1 1300721986 FBCQDVJDYXQRLN-QHCPKHFHSA-N 438.532 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCO2)CC1 1300729444 ZZVKJMCGUPJXBZ-GOSISDBHSA-N 428.562 1.779 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1300872829 HJHNJGJQMQYREP-FPCVCCKLSA-N 429.612 1.811 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301567802 LYQIHIDJDBMWTE-MRXNPFEDSA-N 448.549 1.070 30 10 IDEE N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)c1 1303994128 ONJBMKUNQIGYDP-MRXNPFEDSA-N 432.889 1.978 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CCNC(=O)C(C)C)n2Cc2ccc(C#N)o2)CCOC1 1314090467 BASPALCTTDTQTK-NRFANRHFSA-N 430.509 1.652 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1n[nH]c(C)n1 1314522197 FPZZDRYUMRWHPM-UHFFFAOYSA-N 428.522 1.357 30 10 IDEE CO[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1315227210 HZAKFJYMZQWRLP-ROUUACIJSA-N 428.468 1.656 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315805350 AKDZPDRDKUTOLT-HNNXBMFYSA-N 429.456 1.034 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1318204017 AXPTWEUJGYXCJN-UHFFFAOYSA-N 433.472 1.236 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1358919676 HRQIGEOBOAJTPX-KRWDZBQOSA-N 441.561 1.500 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358964736 GLJOEBWFYKDKMJ-MSOLQXFVSA-N 431.587 1.644 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1358987696 PDSIYXIECKWBGD-LNVKXUELSA-N 444.495 1.943 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1359039129 XWTXCZMTSMVLTA-JOCHJYFZSA-N 438.557 1.352 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1359064114 LHQHUJXMNFMHRD-HZUJVAHNSA-N 429.546 1.884 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CCC)OC)CC1 1359164997 DVOGSJHPPSBCRZ-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359225661 GVMFAKLHZUCZEA-UHFFFAOYSA-N 427.488 1.527 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCCC2)C1 1359300985 OFGSWIOOEYTSTQ-INIZCTEOSA-N 437.566 1.022 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1Nc1ccn(C)n1 1359334847 RXGWYPKCBQZCTN-UHFFFAOYSA-N 435.535 1.348 30 10 IDEE CC(C)NC(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1359470861 HDXRSUHMPCMZSA-OAHLLOKOSA-N 446.581 1.749 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1450156316 LBTFNIOHYXSBLW-CYBMUJFWSA-N 443.275 1.736 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OCC 1462153850 BMCIPROZKRSGNV-OAHLLOKOSA-N 446.957 1.320 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1464252270 AQYHVZFDBATXMU-KRWDZBQOSA-N 444.575 1.956 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ncc4c(n3)CCC4)CC2)cc1 1468893796 GFPZXSXNCWQYHR-UHFFFAOYSA-N 425.514 1.554 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(c2nc(-c3ccccc3)no2)C1 1472015874 CBPNCHWKMQUXPZ-AWEZNQCLSA-N 437.481 1.901 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1472225063 NAHSBFATDRIQLE-UHFFFAOYSA-N 432.527 1.421 30 10 IDEE C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1472346288 HOZSORCBEXFSQZ-NRFANRHFSA-N 441.513 1.409 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1494610874 GCGQJSAJDJWESI-CJNGLKHVSA-N 425.518 1.747 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1496764121 UWLOSFCBNVQSET-TUPYQCFKSA-N 443.552 1.815 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504819314 HWKJTARHGDVXOG-MRXNPFEDSA-N 441.536 1.285 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccccc1F 1505001626 UQFUCTUPJRXWSZ-CVEARBPZSA-N 446.483 1.300 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1505058670 QDQGIMZLZBQDLH-SXWKCWPCSA-N 440.548 1.577 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507633649 UHAORMLFHSTZOO-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1507660771 ZGESKMMDYRBVJI-GOEBONIOSA-N 432.550 1.760 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1507756195 LIJZHELHTYMOQJ-UHFFFAOYSA-N 425.562 1.624 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1507847584 AKZQXPJHMNUWHX-QIJUGHKUSA-N 436.553 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508076489 FUGAZVMYLGSPKY-UHFFFAOYSA-N 447.543 1.958 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1508428452 AELXRLOPZGSNDB-KBPBESRZSA-N 439.563 1.119 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)C(C)(C)C 1509742629 CASYSMGCYFVSCG-UHFFFAOYSA-N 446.577 1.991 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CCOCC1 1516616538 AIVVRMKCNFSDHY-LJQANCHMSA-N 427.505 1.806 30 10 IDEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1517298070 FGRDCYPBRVRCGN-IBGZPJMESA-N 429.569 1.784 30 10 IDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccccc1 1529728778 WHQQFORKYGIETQ-NRFANRHFSA-N 425.510 1.644 30 10 IDEE Cc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1c(Cl)cccc1Cl 1536179630 KVEFVRCJHYFVKD-GTNSWQLSSA-N 440.312 1.893 30 10 IDEE Cn1cc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(I)n1 1536939169 ODYQBSYFDBJVJD-UHFFFAOYSA-N 436.257 1.690 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cscc3C#N)CC2)cc1 1538444783 NBPLFEWZUYZDQP-UHFFFAOYSA-N 434.543 1.510 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCO[C@@](C)(C#N)C1)n2C 1538844307 NTABZCUYXJQEAA-NRFANRHFSA-N 447.561 1.677 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1538966318 XRSUEIDSEAHTIH-MRXNPFEDSA-N 432.550 1.544 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1539259540 FTHVWOFGADGCCZ-QFIPXVFZSA-N 446.555 1.307 30 10 IDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1539525124 UBWXVNZDVBNSLH-UHFFFAOYSA-N 434.587 1.673 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N3CCOCC3)CC2)CCOC1 1541105706 LYUFAMGUZCUESH-XMSQKQJNSA-N 432.569 1.779 30 10 IDEE COc1cn(C)nc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1558533633 FBZAGDZAMLCDCE-CQSZACIVSA-N 431.518 1.578 30 10 IDEE COc1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)ccc1S(=O)(=O)N(C)C 1562512968 BVDOMCBCWTWYDA-UHFFFAOYSA-N 444.517 1.566 30 10 IDEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCOCC1 1563967827 STRIAWIMRPFYMQ-RTBURBONSA-N 428.537 1.010 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 1564376717 QKSJFLDHUWNIGO-TZIWHRDSSA-N 447.605 1.082 30 10 IDEE CC(C)OCCOC[C@H](O)CN(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1564531176 OPEWBUDARKBDPO-GVDBMIGSSA-N 428.530 1.189 30 10 IDEE CN(CCOCCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(=O)OC(C)(C)C 1565096029 VJWPFAQIQVKZOX-KRWDZBQOSA-N 433.509 1.999 30 10 IDEE C=CCOC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C(=O)OC 1568154726 PZKNTOSUSSFPJB-HNNXBMFYSA-N 430.461 1.259 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1570032569 WCQLAZAPAPUBLA-GOSISDBHSA-N 441.575 1.465 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 1587110049 HREBIOXDQKTJOD-HNNXBMFYSA-N 428.518 1.011 30 10 IDEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1587854170 MSEBHPRNYIXPRT-INIZCTEOSA-N 432.424 1.162 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2C[C@@H]2COCCO2)n1 1588723009 IVYPWZGCGQOFCE-LJQANCHMSA-N 439.520 1.182 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCOc2ncccc2F)CC1 1588955225 RXSLJYRUSIBKSZ-UHFFFAOYSA-N 426.496 1.810 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1 1593806663 CWKJIWSKODMOMN-CQSZACIVSA-N 434.994 1.188 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1594096540 CVUXQOVOHMAFCJ-ZACQAIPSSA-N 427.546 1.906 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595866396 JCMUXKFNRXARBW-GOSISDBHSA-N 429.594 1.935 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1596454836 PRHVFRYTUIZKCG-IBGZPJMESA-N 442.493 1.940 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1Cc2ccccc2C1 1611710506 AWBQMEWBZKTUGZ-KXBFYZLASA-N 444.561 1.422 30 10 IDEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 1611721790 IDOOKWZSVRMZHN-NQIIRXRSSA-N 429.546 1.991 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613337163 BJQDWPYJRRAERT-TUPYQCFKSA-N 427.509 1.129 30 10 IDEE C[C@H]1CCS(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1615729979 LRCXBAZOXHOBGB-ZZPBVIFJSA-N 425.551 1.809 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1620025636 RBLOEDYFMZNRGM-IIMDRIAPSA-N 435.525 1.459 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C3CCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1620346757 HKQURNGVAPMQEU-OAQYLSRUSA-N 425.468 1.251 30 10 IDEE CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)CCn1cc(C#N)c(O)nc1=O 1622558648 GRIYTOOFIKALKO-MQVJKMGUSA-N 431.493 1.647 30 10 IDEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(Br)c1 1623138700 IGSBNTDKKBKTOR-HZPDHXFCSA-N 447.264 1.943 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1639973714 JGVAIIZBBZWLLJ-HNNXBMFYSA-N 432.889 1.541 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](c1ccccc1)c1nc[nH]n1 1640624685 QMBDSWDCDXKSHE-QGZVFWFLSA-N 438.513 1.572 30 10 IDEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 1643351058 PXPMOUMODHFVHR-FCLXEUQJSA-N 429.502 1.854 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1 1645157738 FTPDBDOWNFBCFJ-FQEVSTJZSA-N 427.526 1.095 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 1651360760 IPWPCZGEUMPMAA-UHFFFAOYSA-N 427.246 1.453 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N1CCN(c2cnccc2C#N)CC1 1668411994 FXZDSHVLYVJNPT-QGZVFWFLSA-N 443.533 1.480 30 10 IDEE N#C[C@@]12CN(C(=O)NCc3cccc(COCC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1670836316 OGDSATPWQISZGA-RDJZCZTQSA-N 431.436 1.845 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(c2ncc(I)cn2)CC1 1684426447 XXGCLIMCLZJGLY-CQSZACIVSA-N 443.289 1.341 30 10 IDEE C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1689886989 LYCBFIRYKVEKOJ-UHFFFAOYSA-N 433.516 1.976 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1689994420 XWGQADVVQDPHMR-JKSUJKDBSA-N 426.539 1.542 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1689999972 OFOMSSANYDHTOE-QGZVFWFLSA-N 426.546 1.478 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690167614 MCXRIGRWYFCGEY-OAHLLOKOSA-N 437.533 1.238 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOCC(F)(F)C(F)F)CC1 1690364674 VJYROBZIHAASTH-GFCCVEGCSA-N 443.467 1.962 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690451625 LIZGEZPBLKRFIK-RDJZCZTQSA-N 437.570 1.556 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccnn2)CC1 1690724081 HVCPTYSVOBXUNJ-KRWDZBQOSA-N 447.565 1.237 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1=O 1692423636 HDKGPXPOVHVJLC-UHFFFAOYSA-N 437.548 1.990 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccco1)N1CCCCC1 1692541964 CKQCCSWXNUSMGA-ZWKOTPCHSA-N 441.536 1.965 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOCCc1ccccc1 1692544264 MTGATRAGVUDKFU-LJQANCHMSA-N 426.521 1.794 30 10 IDEE Cc1nccnc1N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1693393434 FPUCOJZFWRXQHA-UHFFFAOYSA-N 445.531 1.766 30 10 IDEE CCNC(=O)C1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1695923605 HJOONSKUPHTUOV-VGOFRKELSA-N 446.552 1.354 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1696469514 CFSDTWOEXFLCGC-FQEVSTJZSA-N 433.534 1.493 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1698314496 JZOUPMZAQIJNOD-UHFFFAOYSA-N 441.517 1.295 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)CCO1 1698492223 CYMGYXNVPLBOKX-OAHLLOKOSA-N 447.590 1.047 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1705534762 QYTHWUJVXLQZOE-CVEARBPZSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705561281 OPIKKYCBXJCKAC-ZBFHGGJFSA-N 425.555 1.374 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705572064 PUWUSIICOYPESY-IEBWSBKVSA-N 430.530 1.835 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC(N)=O 1705699402 GMMWUECIKYUKGN-KSMMKXTCSA-N 430.509 1.687 30 10 IDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705719140 MUQHOEOXRBXAPA-SFHVURJKSA-N 435.598 1.824 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(=O)(=O)CC)CC1 1705765301 GCNUKMDHCDJLIF-UHFFFAOYSA-N 428.522 1.512 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1705833432 GRBWGFWRZHHQKD-GOSISDBHSA-N 426.569 1.821 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(=O)NC)c1 1708756418 COVKTFNQRPNILH-SFHVURJKSA-N 439.520 1.333 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1710456759 FZBKLLAEMPLEKK-ZYSHUDEJSA-N 441.529 1.339 30 10 IDEE CNC(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1711375900 GGPGHNDGRULLDD-UHFFFAOYSA-N 425.493 1.266 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1722276426 HVDFSPPEFXYZGJ-HTAPYJJXSA-N 446.573 1.981 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722290193 DBQXEUSWGQQHCB-SOUVJXGZSA-N 428.459 1.340 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCC(N)=O)CC1 1722330743 WWQGOQJRZORLAG-UHFFFAOYSA-N 425.489 1.600 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncc(CC)s1 1722413909 SJPGQTYELWGAJV-OAHLLOKOSA-N 438.579 1.138 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(C)no2)CC1 1722441612 SZYMELLZNWTEJW-UHFFFAOYSA-N 425.518 1.370 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1722447828 QVWRFUQPRPCDKJ-DEOSSOPVSA-N 440.592 1.843 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1722468244 HDGDOKVCKRESIB-FGZHOGPDSA-N 427.505 1.945 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1722617639 LQODMVSGTLPVEX-KRWDZBQOSA-N 438.554 1.818 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1723057434 GPSCLCLEGNGKKN-ZZEZOPTASA-N 441.536 1.377 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC(=O)N1C 1726722543 IYSGWXYMBRDEHU-OPAMFIHVSA-N 440.504 1.201 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740551025 FNMCLPPSBAJPLH-LUKYLMHMSA-N 428.516 1.033 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740620858 SJYQACYRXNZPKO-LPHOPBHVSA-N 426.546 1.394 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1740628257 WUZIQYBMMGXSBN-OALUTQOASA-N 446.577 1.463 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1 1740643259 JPKUAKMCMDJJHW-UHFFFAOYSA-N 442.571 1.497 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)C(C)C)CC1 1740708364 NAZZSDSIZGWGCQ-HSZRJFAPSA-N 441.580 1.513 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740710554 ZCGGMZJQZWODQT-LJQANCHMSA-N 447.653 1.387 30 10 IDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(=O)NC)C1 1740847926 YCFVYIJQJYRCSG-INIZCTEOSA-N 430.509 1.559 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740930580 MESUOSTVQXYRFA-KRWDZBQOSA-N 444.561 1.706 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740979742 KYAZEICANFFNSE-SJORKVTESA-N 440.566 1.241 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1748671240 HWELRXCSEVONSK-QYWGDWMGSA-N 435.525 1.196 30 10 IDEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1748735440 UBXDPQASJJLDAE-OAHLLOKOSA-N 444.442 1.107 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748824240 LZTQKFOSZVHHQW-INIZCTEOSA-N 434.493 1.148 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1748847551 VDXSVYDSODVJNZ-HXUWFJFHSA-N 426.542 1.860 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749207941 VWQCNYUVBISLJO-IERDGZPVSA-N 444.540 1.427 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1749677103 NDSWPXADFWSZLX-UHFFFAOYSA-N 425.537 1.217 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(NC(C)=O)CC1 1749730359 AXKXHLVQDKLWJH-UHFFFAOYSA-N 432.550 1.354 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)no1 1760102787 QWUIHQSZHUYYPH-HNNXBMFYSA-N 428.518 1.998 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(C)cn1 1760110621 FYIOBNUNIWGZAC-MRXNPFEDSA-N 426.550 1.901 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCc2n[nH]c(C)n2)c1 1760129198 ZQJRAYCYWIWUIE-SFHVURJKSA-N 448.531 1.898 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760184971 NETCWQXOJQIODP-FUHWJXTLSA-N 448.570 1.007 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cc(CO)nn1 1760213163 RWXPGEASTDSGPY-UHFFFAOYSA-N 434.460 1.490 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC(=O)NC(C)(C)C)CC1 1760267789 AHYVCTYGQMDSRA-UHFFFAOYSA-N 437.548 1.611 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1760456839 YLPAGOGTJVDOSG-ZDUSSCGKSA-N 437.513 1.341 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760677273 LULRUPHRBNYQTD-CABCVRRESA-N 432.550 1.601 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)N(C)C)CCN2C1=O 1765297086 SGMRWHCZYXBRDO-QAPCUYQASA-N 436.520 1.240 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NC(C)C)c2ccccc2c1=O 1765576402 DZZFJGULAGVKPL-OAHLLOKOSA-N 436.520 1.938 30 10 IDEE COc1cc(F)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1768349412 FCBODQDTJZZZNC-KZULUSFZSA-N 440.476 1.526 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2nccc(C(F)(F)F)n2)cn1 1769008480 DIHDATGYHMEEFY-CYBMUJFWSA-N 433.398 1.459 30 10 IDEE CCc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C(=O)ON1C(=O)c2ccccc2C1=O 1772792871 PSIQQTKTRCZIOC-JTQLQIEISA-N 437.861 1.827 30 10 IDEE CN(C(=O)c1cc(-c2ccc3c(c2)OCCO3)nn1C)C1CN(c2nccnc2C#N)C1 1849857606 LLQFFIPQSWIIKC-UHFFFAOYSA-N 431.456 1.481 30 10 IDEE COc1cccc(C#N)c1OCC(=O)NCCn1ncc2c(N3CCCCC3)ncnc21 1852594190 MUDDXDASKSKTQT-UHFFFAOYSA-N 435.488 1.892 30 10 IDEE CS(=O)(=O)N1C[C@H](C(=O)N2C(=O)Cc3ccc(C#N)cc32)Oc2ccc(Cl)cc21 1852605092 SYUUXTNWWHUICF-QGZVFWFLSA-N 431.857 1.855 30 10 IDEE Cc1ccccc1-n1cnnc1CN1CCN(C(=O)CCON=C(N)c2ccncc2)CC1 1853559512 RELZFCUFHWCVCR-UHFFFAOYSA-N 448.531 1.342 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCCN2CCN(C)CC2)c2ccncc2)c(C)c1 1853581596 DUSZWDFWKUJRIZ-UHFFFAOYSA-N 431.562 1.603 30 10 IDEE CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1854024096 QHAXXDSZENTONX-UHFFFAOYSA-N 427.482 1.559 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)cc1 1854299399 FTMNOCFDFLKNCE-UHFFFAOYSA-N 429.473 1.651 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1C#N 1855716175 ZANAEKBSAQLXOP-LJQANCHMSA-N 429.542 1.899 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCn3ccnc3)ncnc21 1875231317 JALOYZPRWJMHFD-UHFFFAOYSA-N 436.520 1.654 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 1890371070 YVUWCCDXCNXWMO-FQEVSTJZSA-N 448.608 1.502 30 10 IDEE CC#CCN(CC(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1900626382 SAFSPMFVKHCNRU-HZPDHXFCSA-N 425.526 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)N2CC(C#N)C2)C1 1982315864 UDHCEEODYKYVMZ-UHFFFAOYSA-N 436.534 1.171 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1993269240 CXSQVLCWQVJSBP-ZIAGYGMSSA-N 426.514 1.622 30 10 IDEE C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243696804 FDYYKIFYUZSMHN-ZJUUUORDSA-N 430.311 1.449 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247903076 DMKAECYKUJDKHA-WCQYABFASA-N 440.293 1.893 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CCC1 2248401808 OHZDKXRXBXWETL-GFCCVEGCSA-N 438.359 1.891 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255624625 ZMRVAJDLZASXCI-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2255652045 ONAAXJJFILEPDG-FICVDOATSA-N 430.314 1.371 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2255693903 KDMLIDWLPJUUNH-RDJZCZTQSA-N 425.342 1.507 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255698428 IRHJPDKOAGYNMU-DOTOQJQBSA-N 425.342 1.365 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255708858 ONPJGVXAHHUAHX-HOTGVXAUSA-N 435.330 1.678 30 10 IDEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255752495 JZQUZVDYDLNGBX-UHFFFAOYSA-N 446.334 1.745 30 10 IDEE CCn1cc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255815155 JLEPWNRNECCPKL-CQSZACIVSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255869638 FGLGOIQSZMCBOY-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE CCn1cc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267179029 KIIWBXROVFQEMK-FPTDNZKUSA-N 446.357 1.941 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267183298 MGRQYMSWFANFHB-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C 2267280349 OWESHWDBQANAGM-IHRRRGAJSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2267579293 PWHQBJHDVFFBQJ-UHFFFAOYSA-N 446.309 1.790 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c(O)c2)OC1(C)C 2267681103 CGNZEPOBUWZATJ-LJQANCHMSA-N 442.243 1.975 30 10 IDEE Cc1nc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268655491 MMGZDBSLCISTSJ-ZFWWWQNUSA-N 448.329 1.393 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269088447 QZFDBHBSVKSSMW-INIZCTEOSA-N 440.309 1.091 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCCC23OCCO3)OC1(C)C 2282834641 MAMCVQDYDYOMMO-CQSZACIVSA-N 444.384 1.547 30 10 IDEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)s1 2296936275 JXTAHMSULWLICO-QGZVFWFLSA-N 428.514 1.909 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330770493 VWNCVGIMMKYBSU-UHFFFAOYSA-N 426.842 1.623 30 10 IDEE C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 13324914 JIEVJXRUYDZFTD-YDIRTVJASA-N 448.468 1.945 30 10 IDEE CN/C(=N\CCCO)S[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 105615150 FDZPHFRMYDOPBW-GFCCVEGCSA-N 447.298 1.614 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 109896242 HGSFRQUDYZRBEU-MRXNPFEDSA-N 431.543 1.517 30 10 IDEE CN(CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1 109933712 RPJSVDNVUCFEIO-SFHVURJKSA-N 444.538 1.719 30 10 IDEE C#CCN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 250668614 SWMHWHMCYOGTFD-XJKSGUPXSA-N 443.447 1.415 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 460387791 MOBPQKXSGYZFPI-SFHVURJKSA-N 435.525 1.889 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2c(F)cccc2I)CC1 471476481 PLMFZQRSESXDCH-UHFFFAOYSA-N 431.249 1.490 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 483780612 YMSQHLNYIUVZBC-MRXNPFEDSA-N 439.482 1.914 30 10 IDEE COCCOc1ccc(Br)cc1S(=O)(=O)NCC1CCN(CC#N)CC1 486007119 PWHHCMNISNIGMV-UHFFFAOYSA-N 446.367 1.988 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(C)cc1 508498859 VPJDMXVRPKPQCH-GOSISDBHSA-N 435.550 1.621 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)NCCN(C)C 508619890 HOMLWBUITVWVCK-PMACEKPBSA-N 442.564 1.445 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccccc1 532394561 FAMYPGROKJLKSR-QGZVFWFLSA-N 448.548 1.316 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)C[C@@H](C)O1 542824551 PZXKMMAECLZNRK-GASCZTMLSA-N 426.525 1.646 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 570554712 GDHJNAITRTYLTC-GDBMZVCRSA-N 432.550 1.472 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CC1 604158601 ZZEASJLCWZKLGD-OAQYLSRUSA-N 429.565 1.462 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 747313337 OIAXSNKLFVQOOI-AWEZNQCLSA-N 441.469 1.538 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 753134445 FCTSMKKFSYDOMU-MSOLQXFVSA-N 427.505 1.968 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c[nH]c2ccc(Br)cc2c1=O 753821349 YWPKCKPRZBQLMZ-SDXDJHTJSA-N 431.246 1.547 30 10 IDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 757371309 BDTVOISMZNLBFW-GTBONMDNSA-N 427.486 1.434 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC)c(Br)c1 759788237 SIJCXWLPQSDOEZ-LBPRGKRZSA-N 436.349 1.659 30 10 IDEE C=CCc1cc(C(=O)NS(=O)(=O)c2scnc2C(=O)OC)cc(OC)c1OC 768015752 ACIZHQXVLOMMAC-UHFFFAOYSA-N 426.472 1.794 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)Cc2cnn(C)c2)n(Cc2ccccc2)c1C 786850770 AFBBNXLLTQMUIR-HXUWFJFHSA-N 435.484 1.844 30 10 IDEE C[C@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCCC1=O 787975004 FQYOTXLUAFKVPW-MRXNPFEDSA-N 434.562 1.803 30 10 IDEE Cc1c(CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cnn1C 791009967 YUHRUAVZDNNDRQ-PTGBLXJZSA-N 446.533 1.138 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 804944061 QVTZYYVEERGVJY-UHFFFAOYSA-N 442.469 1.460 30 10 IDEE COc1ncccc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918258727 DCNFEQKGSCCPCP-ULJHMMPZSA-N 445.501 1.158 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)Cc3cccc(C#N)c3)cc2)CC1 1126203279 ZNLMWJBVNXCVCT-UHFFFAOYSA-N 427.482 1.424 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)n[nH]2)c1C 1137821930 GXVVKLCBLQIRDM-MGPUTAFESA-N 433.534 1.542 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1144026754 KLZSINDJVKLONZ-RBUKOAKNSA-N 432.565 1.448 30 10 IDEE C=CCCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OC 1155476167 XAJAZSGYETVUAR-MRVPVSSYSA-N 425.326 1.786 30 10 IDEE C#C[C@H](NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1 1161505814 QPFMQZBOHZUVKR-FQEVSTJZSA-N 427.526 1.938 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)CC2)o1 1176977668 MQMGLROIMGJATJ-MNZLEMJZSA-N 444.536 1.300 30 10 IDEE CN(CC[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1181630710 OKFGLTBQGXUXKP-MRXNPFEDSA-N 433.509 1.849 30 10 IDEE C#CC1(O)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)CC1 1184041812 SNZBYVAOXFZJNO-UHFFFAOYSA-N 441.469 1.070 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2Br)CC1 1204793094 RINDDEOGZBJZAS-UHFFFAOYSA-N 435.731 1.720 30 10 IDEE C[C@H]1CC[C@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CS1(=O)=O 1230717816 IQHJUSCSKNZAPE-RDJZCZTQSA-N 427.530 1.904 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1252843568 IHROKNBKEPCDCB-OAQYLSRUSA-N 442.541 1.668 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286336248 HQQKDFDSZAYURP-OAHLLOKOSA-N 427.534 1.287 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1286452608 IZNPVFZROQZQLY-QZQOTICOSA-N 438.463 1.982 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1286567988 UESKRPZGYIVXGB-CTOYSFNJSA-N 433.553 1.613 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1286612234 WXCOVNLJDNGEIQ-LJQANCHMSA-N 432.569 1.152 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1286714598 QTNGVXGCSOYPCU-KBPBESRZSA-N 430.575 1.814 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1)C1CC1 1286738410 UPCUYDOGCHCVLU-ZWKOTPCHSA-N 437.610 1.836 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1286772419 DCNVGZVWBRBJLR-GOSISDBHSA-N 437.610 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1286786455 SKRLARYTKABATG-DLBZAZTESA-N 428.468 1.248 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286824602 FQOFQQBAGRFXOJ-CABCVRRESA-N 429.612 1.691 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1287136986 PLAZHGFDGHWPNN-UHFFFAOYSA-N 425.537 1.940 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1288999220 KQMFVQZQIIAWSH-QZTJIDSGSA-N 435.488 1.372 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1294911565 CGGZPZKCYYIBCT-SFHVURJKSA-N 428.493 1.107 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2nc(O)n(CCN(C)C)c2c1 1295048488 TZBGYCKCOQQORN-OAHLLOKOSA-N 434.504 1.316 30 10 IDEE CCOCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1297005074 FAYGZUNHKCBVBR-CVEARBPZSA-N 442.586 1.412 30 10 IDEE Cn1ccc(=O)n(CCCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1=O 1297379772 FFEKXCUVCTYXJV-UHFFFAOYSA-N 443.935 1.885 30 10 IDEE C=CCC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1297801548 ZGXRFCKOAXANOP-SFHVURJKSA-N 437.562 1.051 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CCOC1 1299800623 DMQDSWKCHQCMDI-WMZHIEFXSA-N 438.532 1.975 30 10 IDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300733064 HOWWGDOGZGZMLA-MRXNPFEDSA-N 427.578 1.979 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2F)CC1 1300768394 QMXNYAFCTFKRHA-UHFFFAOYSA-N 443.552 1.628 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CCC)OC 1300805482 DZBZZDLTYVKIPU-MBOZVWFJSA-N 439.582 1.418 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301018333 ZSLLCZZUAYRORJ-AWEZNQCLSA-N 444.989 1.622 30 10 IDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301226945 ZHJVYUCQXCTSAA-UHFFFAOYSA-N 439.564 1.211 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1NC(=O)CC1(C)C 1301286939 MZMJSJINZRERFO-OAHLLOKOSA-N 431.566 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301588598 ICGSTRXXZMLIRI-OALUTQOASA-N 437.610 1.695 30 10 IDEE Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1304295747 KZFKERXIVMQKCL-ZZEZOPTASA-N 441.492 1.334 30 10 IDEE C[C@@H](CC(=O)N1CCC(CO)(C(F)(F)F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1304305262 TYXKPRRKYBGUAY-LBPRGKRZSA-N 433.452 1.667 30 10 IDEE CCCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1307036235 NIUCJSNRAPEHGD-HOTGVXAUSA-N 425.603 1.749 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)c2ccccc2c1=O 1313964125 ACWLTTPZPAQKQJ-MRXNPFEDSA-N 437.504 1.566 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCCN2CCCO)CCOC1 1314119366 HCAYCDVCCAQKFG-AJSBUHFISA-N 446.596 1.907 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1351286647 JKQKNKYMPAOZDV-FDDCHVKYSA-N 441.532 1.875 30 10 IDEE C=CCn1cc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)nn1 1351802462 JDWBOFKRJZFLPF-UHFFFAOYSA-N 430.490 1.238 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1358889845 HNEYKZYCGDRHEL-YESZJQIVSA-N 425.555 1.028 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)C(=O)C1 1358922851 UDICVYHSZPSQSY-UHFFFAOYSA-N 445.545 1.057 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1358960273 AOQZZLQCQFAQLV-MRXNPFEDSA-N 439.545 1.409 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358964660 DCJUIMKYGBSRHA-RXVVDRJESA-N 431.562 1.442 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1359024197 HDJJQOGZEAKKPO-SFHVURJKSA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CN2CCOCC2)CC1 1359036856 LRQOKWHHANDWHF-HXUWFJFHSA-N 440.567 1.732 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1359056496 GKCGXRHVUXWTNY-QGZVFWFLSA-N 439.651 1.857 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1359057092 RZALURSIJXZWNI-ZACQAIPSSA-N 441.623 1.460 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359297507 SSBHIZAJFDHMIQ-UHFFFAOYSA-N 443.552 1.891 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359302855 VUBQGFOBTCCCTP-JTSKRJEESA-N 426.521 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCSC2(CCOCC2)C1 1359330992 JMCLWDXKYXSFRF-UHFFFAOYSA-N 437.591 1.976 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1359343427 SSYGFAWJPFWXRO-OAHLLOKOSA-N 429.612 1.909 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H](C)C#N)CC1 1359400773 WXENAFXCBLFYOH-HNNXBMFYSA-N 430.944 1.753 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1360644654 CPYPBCXINFSJIU-LSDHHAIUSA-N 432.550 1.804 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1438342343 GDRPXOSSPJTBJL-INIZCTEOSA-N 430.555 1.808 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc(S(C)(=O)=O)nc3)C2)C1 1455700652 SLFXIJPHYWQZMK-ZGOJQLDESA-N 448.545 1.888 30 10 IDEE C#CC[C@@H]1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1461810362 BUGMTTIBJVMQHN-MRXNPFEDSA-N 431.514 1.641 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C(=O)OC 1464259110 XTFGPXQGFYVAOG-LLVKDONJSA-N 446.323 1.426 30 10 IDEE C[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)N(C)C)c1 1473309883 YTQUMWBNJPAKSH-INIZCTEOSA-N 425.510 1.887 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)sc(C)c1Br 1474858106 APEZJCIUUDBDIA-LLVKDONJSA-N 426.379 1.938 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1501104004 CTHJOLSLCTYLFC-QMWCZEAPSA-N 441.536 1.425 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1502372451 MJWZTTMGMGMVFX-HSZRJFAPSA-N 435.532 1.838 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1502372478 NNUBMXQOVWFIJD-INIZCTEOSA-N 427.465 1.744 30 10 IDEE COCCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504811593 JDIUJFGSMNBHDG-GOSISDBHSA-N 441.584 1.747 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1505037420 NSMPAMBWKAXUNG-XMSQKQJNSA-N 427.505 1.457 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1505038025 JAWIYPURNYMURN-QUCCMNQESA-N 427.505 1.721 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1505123149 FBVMMGRZSANXNL-ZWKOTPCHSA-N 445.545 1.370 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1507611999 NTTQYXRLSXLDNT-MRXNPFEDSA-N 431.518 1.210 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507631595 FPCLDQUBGCZENU-GDBMZVCRSA-N 435.575 1.476 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1507651674 AZRALRMFWHZBLT-KRWDZBQOSA-N 431.562 1.044 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1507690848 YBWFMORMHRDQBM-MHORFTMASA-N 439.582 1.274 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1508092757 QYHRCCOHUDDLLT-CABCVRRESA-N 441.458 1.598 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCNC(=O)[C@H]1CC 1508137411 ZXIKVVDJJJDSBE-CQSZACIVSA-N 438.941 1.309 30 10 IDEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1=O 1515890237 UJBNMYXWFCZGKJ-QGZVFWFLSA-N 437.504 1.066 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1517679366 CCOYESBFPZPADJ-KRWDZBQOSA-N 435.488 1.704 30 10 IDEE COCCOC1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1519345919 XMZYXUOASCSMLT-LJQANCHMSA-N 442.520 1.205 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1519375217 PHOWPCIPGDFPQN-KNQAVFIVSA-N 426.521 1.125 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1529876688 SVSJTVZUGYYOEC-INIZCTEOSA-N 425.507 1.126 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC(=O)N2C(C)(C)C)cn1 1532114720 WKSUUNNJLTVWPG-WMLDXEAASA-N 440.508 1.178 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1539204081 YMVXNMAFRJURNP-KZNAEPCWSA-N 430.578 1.877 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1539370410 BUHLNQZUCLPSRN-GOSISDBHSA-N 433.534 1.578 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCCC2)CC1 1539447875 YAEJGCYGXJOQDH-SFHVURJKSA-N 435.594 1.285 30 10 IDEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1539971655 NRZDIXYWUWMLKC-UHFFFAOYSA-N 443.577 1.955 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(C(=O)C2CC2)CC1 1540867590 ALOXHEWDWRHIMJ-UHFFFAOYSA-N 438.532 1.705 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1540876648 XNYVOAXPSKJPQH-PEYKTXOXSA-N 449.552 1.005 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1541657309 GZTQFLIQPICDRV-IBGZPJMESA-N 434.497 1.310 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1541808417 CJYKGVVDRWJQBZ-APWZRJJASA-N 425.537 1.364 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1547311661 DHSLXSXBQJKLGU-FXAWDEMLSA-N 437.548 1.452 30 10 IDEE COCCNC(=O)[C@H]1CN(C(=O)NC(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548368076 QCABGCBOYDCRIL-QGZVFWFLSA-N 441.454 1.948 30 10 IDEE CN(C)C(=O)Cn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552735738 DLLBLZXXFCCEII-UHFFFAOYSA-N 447.499 1.523 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@](O)(/C=C\OCC)C(F)(F)F)ccc1F 1556795364 YDEQJPABEXUALB-DZFYGRHCSA-N 440.415 1.863 30 10 IDEE COC(=O)[C@H]1CSCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1558387424 FRLJFCAAYUPAQC-OAHLLOKOSA-N 439.559 1.403 30 10 IDEE CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1565700412 AIFFFVKDKOISAL-FQEVSTJZSA-N 441.557 1.745 30 10 IDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568508137 KDUCPPCELAWIFB-ROUUACIJSA-N 430.505 1.705 30 10 IDEE N#Cc1ccc(C2(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CCC2)cc1 1584879664 GJDBFVYLAIJOAP-UHFFFAOYSA-N 438.509 1.488 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CCNC(=O)N(C)C)cc1)c1cc[nH]n1 1586931142 YYVDNCLITLMMQP-UHFFFAOYSA-N 430.465 1.146 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1587724327 XCOIZYTXLBUMPJ-SBUREZEXSA-N 432.565 1.591 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(Br)c(=O)n(C)c2)s1 1587985875 TUCTURXCTZQPKT-UHFFFAOYSA-N 446.348 1.855 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1588064600 LIGSDXNIARFPTO-QGZVFWFLSA-N 437.591 1.423 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@H](n3nncc3I)C2)nn1 1588403649 HXONKHJFKWDEKG-NSHDSACASA-N 427.250 1.528 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(N)=O)C1 1589581740 WCDCFSLEWXJVFX-NSBVLCQTSA-N 433.553 1.685 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1594857800 QIKVVKVBQFGWMU-INIZCTEOSA-N 433.582 1.822 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)F)CC1 1595550291 BXMKNCBEJBPKKR-KRWDZBQOSA-N 448.474 1.480 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1595577269 NDSCIUMFQXKOMF-RBUKOAKNSA-N 436.516 1.894 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H](CC#N)C(F)(F)F 1596783759 RALKAQCYLZVGBQ-OCCSQVGLSA-N 435.424 1.189 30 10 IDEE CC(C)(C)OCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1597667953 XRXVKRGNMLIACP-INIZCTEOSA-N 433.534 1.892 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1613709321 ODSNGJXGDLYPQA-OAQYLSRUSA-N 447.561 1.883 30 10 IDEE CCc1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613976773 PHAPYISWEKOXPF-QZQOTICOSA-N 441.536 1.348 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616949811 FAWHGOGRNHKWQF-VRTBNJGNSA-N 432.525 1.592 30 10 IDEE Cn1cc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)c(I)n1 1617079682 VEGZQOAXZAYMFH-UHFFFAOYSA-N 433.213 1.788 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1618705474 HXZICTANTOBUIZ-SFHVURJKSA-N 438.875 1.942 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)c2cncc(Br)c2)c1 1622441194 BEWVXBKZMCBVDP-UHFFFAOYSA-N 438.303 1.921 30 10 IDEE COCCN1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1=O 1625970401 BQDZXYGLBZKOMK-IBGZPJMESA-N 428.489 1.667 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c1 1627523759 VHYFHFXTUIKIKD-GOSISDBHSA-N 428.514 1.252 30 10 IDEE C#CC1(O)CCN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)CC1 1633558996 BQQBUFGRPJXOFJ-UHFFFAOYSA-N 443.548 1.674 30 10 IDEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1636257596 MYQOWCIVJAJWAI-DYQZNNLLSA-N 446.573 1.103 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@@H]3C(=O)Nc4c(Br)cccc43)C2)c(=O)nc1O 1637513819 PWUAIDSJIHYBBF-LBPRGKRZSA-N 444.245 1.092 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)cc1OC 1640375241 RELLPVSXAUTDLN-PXAMLJHWSA-N 425.489 1.672 30 10 IDEE C=CCCC[C@@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1645502299 AXHYPCHFMBJFRH-DRUFCSCSSA-N 429.517 1.914 30 10 IDEE C#CC1(O)CN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 1646382183 XDCUGJPOMYUXAG-UHFFFAOYSA-N 429.454 1.833 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1649542239 UWFWQAWQMVSVNE-VXPUYCOJSA-N 441.536 1.204 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)ccc1F 1652394356 OYDFLEVCPDKSFR-AWEZNQCLSA-N 430.523 1.520 30 10 IDEE C#CCN(CC(=O)Nc1c(C(=O)OCC)cnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 1660151734 JDIDLDKGMAVMLP-UHFFFAOYSA-N 447.536 1.870 30 10 IDEE C#Cc1ccc(S(=O)(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)cc1 1663029544 JDUXCEHYFADMMX-UHFFFAOYSA-N 425.510 1.516 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(N[C@@H](C)c3ccccc3)CCCC2)CC1 1669043904 URRCNHWTSZEVIE-IBGZPJMESA-N 447.605 1.445 30 10 IDEE C#CCSCCNC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1677865642 GMXZDMQTQPSZDM-MRXNPFEDSA-N 426.583 1.948 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 1683562904 GWEWZZARVXSVCN-IRXDYDNUSA-N 444.561 1.384 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1686525939 QPXMWTGXWBBOKX-NRFANRHFSA-N 434.544 1.733 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1OC 1689847704 GMIQTHXQXMTXPI-CYBMUJFWSA-N 425.493 1.817 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1689848221 QUNWXHYAELKPTA-CQSZACIVSA-N 440.529 1.877 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1689937219 SHBZUPZXEHBJKJ-UHFFFAOYSA-N 439.520 1.509 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1689978435 VPGDFUXHKJSUHF-AWEZNQCLSA-N 427.596 1.185 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689988227 LFZZGXNUHLIJTG-YQVWRLOYSA-N 446.577 1.511 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1689988894 YFWRDJLMZQMBAG-LJQANCHMSA-N 439.545 1.251 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1689991770 CEDVYMLNDPXXCR-AVRDEDQJSA-N 446.548 1.796 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689994248 UYXFCUZQUUYMDT-MRXNPFEDSA-N 447.586 1.445 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1690048127 DJYIPVHAAATQDT-KRWDZBQOSA-N 429.521 1.574 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@]2(O)CCO[C@H]2C)n1 1690109322 NONBAZFKEGQFJR-HTAPYJJXSA-N 428.537 1.568 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690326908 HMDVQSVTNGQNOE-IBGZPJMESA-N 435.916 1.081 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690669435 FPORUXOTUPHKFD-INIZCTEOSA-N 434.541 1.578 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](N3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690677429 WSORLXUEFFBVGS-GCJKJVERSA-N 432.569 1.297 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1690711534 CLVRKBQEEAEGAM-INIZCTEOSA-N 437.541 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(C)=O)CC1 1690719453 MEGVILHFRPWVQU-UHFFFAOYSA-N 435.550 1.800 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690742654 XHANCMOSAKTXOH-LSDHHAIUSA-N 427.596 1.552 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1693853127 OTLUCCATRCAELU-QFBILLFUSA-N 428.562 1.924 30 10 IDEE CCOc1ncccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1696180266 XGNFDMFMZNENOL-GCJKJVERSA-N 442.520 1.889 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1696996285 RZQWZYXDIBNQKI-QGZVFWFLSA-N 439.520 1.216 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1705524919 VDGIMVRHJQTDKF-HNNXBMFYSA-N 431.566 1.325 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705526696 KHYNLAQFVGQBMA-NRFANRHFSA-N 431.544 1.973 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC1CCCCC1 1705552717 OAAIMXWBNJKWMP-UHFFFAOYSA-N 436.564 1.970 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3OC)CC2)CC1 1705632689 YTPFFOJDPMJWHS-UHFFFAOYSA-N 436.560 1.912 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCc2c[nH]nc2C)CC1 1705648925 DBQCKVFBJUBXRC-UHFFFAOYSA-N 432.532 1.970 30 10 IDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705688486 UWFIAFGNRXQADS-UHFFFAOYSA-N 425.331 1.906 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)CC1 1705897506 NJPHJVVZYFMHOU-CQSZACIVSA-N 432.912 1.700 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705900046 OBWPLACTOJYYHK-UHFFFAOYSA-N 449.563 1.315 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 1705939611 HQBKSRAERHTBQQ-INIZCTEOSA-N 429.550 1.365 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1710857337 BKTRYAYSYGACDF-AWEZNQCLSA-N 428.522 1.253 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1712104557 VPKGEEJHHLYVRS-UHFFFAOYSA-N 444.561 1.227 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712877421 KSDCLUWFFAIIMU-KSMMKXTCSA-N 434.497 1.251 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC(=O)N1 1722300812 GTWQRMMEOHBRDH-VQTJNVASSA-N 435.576 1.379 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722385424 FMXUPOCRLAKNPL-GOSISDBHSA-N 445.520 1.493 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C2CC2)N(C)C)CC1 1722446316 ROEBZJPGRFPMJK-OAQYLSRUSA-N 435.576 1.955 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCOC1 1722525808 AZMGMYLIPUHFTP-HXUWFJFHSA-N 434.566 1.792 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722693215 GWDBFHBOQFHPFG-MRXNPFEDSA-N 441.492 1.651 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1722867288 FYMBKCITRWXURB-WMZOPIPTSA-N 444.561 1.435 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1(C)C 1730394031 VUMVTZAGVMBYCL-QGZVFWFLSA-N 432.550 1.569 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CCC)C(=O)C1 1740584240 IYOFRPCRPXQNIF-UHFFFAOYSA-N 433.520 1.783 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1740597801 ZCQPYKRNRKWFCE-QFIPXVFZSA-N 430.553 1.681 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740618068 BLXZXBHPWJIHEL-KRWDZBQOSA-N 428.518 1.738 30 10 IDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740623776 APLZLYYYYYLLBN-SFHVURJKSA-N 446.573 1.470 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)=O)CC1 1740716276 PCGLYNIRPJRZQD-UHFFFAOYSA-N 430.534 1.431 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1740725998 XCNFMNPPWUKPPP-VBKZILBWSA-N 433.534 1.643 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O 1740758393 XBTAHPJVAFLJBB-ZOBUZTSGSA-N 425.555 1.081 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1740788300 QVLKJVUUQRSCEK-SFHVURJKSA-N 447.561 1.656 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOCC2(CC2)C1 1740962436 DHAXYLHRHJVYCN-UHFFFAOYSA-N 425.533 1.991 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2ccc(F)cc2)C1 1740983097 AZSUQMMVIXZHFX-SFHVURJKSA-N 442.495 1.960 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(CCC)C(=O)C1 1740993069 SDUGCUPANJRJLT-UHFFFAOYSA-N 446.577 1.313 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@@H](C(F)F)N1CCOCC1 1741635703 ZEUNDTCKQCAFGS-GJZGRUSLSA-N 427.500 1.511 30 10 IDEE CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1743984633 FCEYXANHHNSCBP-RBUKOAKNSA-N 447.584 1.282 30 10 IDEE CC/C=C/Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1745076545 IEGFEZFGJJVHKJ-RTRPANQVSA-N 430.534 1.890 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCS(C)(=O)=O)CCOC1 1746655578 BQPXPVSYMHINGP-HXUWFJFHSA-N 433.534 1.483 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCN(C)C1 1748647576 QFBXHQLUFXNEAA-VFNWGFHPSA-N 445.593 1.071 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1748772246 RKFQMSPLIQVGAA-ZUEZHPSSSA-N 447.580 1.270 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1748837510 GHVXPNSDCWGMBM-UHFFFAOYSA-N 433.390 1.468 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N2CCOCC2)CC1 1749009831 LWCYDFQWWLXYJQ-ICSRJNTNSA-N 444.580 1.206 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)CC1 1749011123 VPCBOKWCRZMAFG-UHFFFAOYSA-N 436.516 1.446 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)s2)CC1 1749015222 ARMXSNSERYZLGE-UHFFFAOYSA-N 440.573 1.785 30 10 IDEE C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749411712 DQTYTGFYKFWDIT-CVEARBPZSA-N 442.495 1.670 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749457848 RKEIIQYSKHWVOW-QGZVFWFLSA-N 441.536 1.195 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1749489147 RORXFNVHLJLEJG-UONOGXRCSA-N 431.509 1.669 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 1749661073 XECBWJZDAXQUMO-INIZCTEOSA-N 442.520 1.356 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccccc2OC)C1 1749678002 RUIUPCPHCMOBNJ-KRWDZBQOSA-N 438.532 1.705 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O 1749721414 JDIOTFJOUTZHOI-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749767447 SWOXLSZQROQWIB-UXHICEINSA-N 437.548 1.500 30 10 IDEE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1749883007 LBSRQUQMQSMGKN-UWJYYQICSA-N 439.564 1.978 30 10 IDEE C#CCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760161487 HSOPALAZKQZWFL-OFNKIYASSA-N 431.581 1.891 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760162710 FAQMAKMUQNLXNS-CVEARBPZSA-N 430.534 1.011 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1760223580 HOEIVCZLTFUXQI-GOSISDBHSA-N 440.573 1.453 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@]1(N2CCOCC2)CCSC1 1760238376 TXNYTIUBBDDKCN-OAQYLSRUSA-N 432.594 1.068 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1760245039 OWUQAMVSBRSTIE-ZHRRBRCNSA-N 430.505 1.588 30 10 IDEE C#CCSCCn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1760286215 FSQHSVXMCYAXQI-NRFANRHFSA-N 435.594 1.745 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNS(=O)(=O)CC)CC1 1760403807 HFEIIMJMEMMFOC-UHFFFAOYSA-N 447.565 1.657 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760445398 IMXFLSHTGGKBNC-IBGZPJMESA-N 446.596 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760552191 FRZZANUMMSGFGP-HXUWFJFHSA-N 445.549 1.360 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760555352 DGRLCMIHEKUDCF-KZNAEPCWSA-N 425.599 1.692 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1760690996 HYYRECPOWQUBND-HNNXBMFYSA-N 437.504 1.329 30 10 IDEE CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1765197798 GKXOFHABXAMRGH-YJBOKZPZSA-N 437.504 1.953 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1767540501 GJENMVQWYWSARE-HJPURHCSSA-N 438.532 1.973 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1767916550 HCAYBHZVFQQDMJ-MKTHODDLSA-N 443.529 1.639 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)C[C@H]1O 1767920027 KGMAYIXOJJTECD-HMFYCAOWSA-N 425.489 1.746 30 10 IDEE COC1(C(F)(F)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1768149864 FMHDWAJWUVHVHK-QGZVFWFLSA-N 448.474 1.824 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)cn1 1769003376 LHQWPABLRNUJON-HNAYVOBHSA-N 438.458 1.477 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CCOCCCO)c1 1771531320 KKWXCOIHSWDAQS-IBGZPJMESA-N 438.532 1.711 30 10 IDEE C=C1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc3nc4n(c(=O)c3c2)CCC4)CC1 1850552637 CNFPNLFONDGLAV-UHFFFAOYSA-N 430.530 1.532 30 10 IDEE CC(=O)c1cc(C#N)c(N(C)C(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)nc1C 1851666954 DBJUMTFUYCIBSR-UHFFFAOYSA-N 426.498 1.976 30 10 IDEE CCCN(C(=O)[C@@H](C(C)C)N1CCS(=O)(=O)CC1)c1nc(C)c(C(C)=O)cc1C#N 1852058551 RVKDMVFWIFPJJF-LJQANCHMSA-N 434.562 1.962 30 10 IDEE Cn1c(=O)c2c(ncn2CC(=O)NC2=CC(=O)C[C@H](c3ccc(Cl)cc3)C2)n(C)c1=O 1852588883 VBWUPYKXCBOKJP-CYBMUJFWSA-N 441.875 1.234 30 10 IDEE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCc3nc(C#N)cc(Br)c32)C1 1852895607 FFOAFAYSYQUITF-NSHDSACASA-N 427.324 1.667 30 10 IDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)C(=O)C2)C1 1856866970 RGRWLGHHBBJJJD-IBGZPJMESA-N 433.574 1.804 30 10 IDEE C=CCN(CC=C)C(=O)CNC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 1868768410 DSNZYJZYLBTRBY-OAHLLOKOSA-N 448.570 1.902 30 10 IDEE CN(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932025 QHBKZWLCJKLZRH-IBGZPJMESA-N 439.541 1.496 30 10 IDEE COc1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1F 1870095890 XZJAYXZWMOFWTO-UHFFFAOYSA-N 444.404 1.993 30 10 IDEE C#CCOc1cn(CCCO)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870561792 CVHQPWIRVKEOCO-UHFFFAOYSA-N 439.512 1.289 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N(CCO)CCO)ncnc21 1873595268 VXAMRZSOYZLEDQ-UHFFFAOYSA-N 429.908 1.992 30 10 IDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)C2)c1 1890096052 HIXNGQBEMCQKMJ-FUHWJXTLSA-N 444.488 1.925 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)C1 1891234739 FZZVECOXLPNTLC-LEWJYISDSA-N 435.509 1.786 30 10 IDEE C=C(CNC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)B1OC(C)(C)C(C)(C)O1 2077062056 QHGRNLVZCQOOAD-OAHLLOKOSA-N 437.346 1.758 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N=c1cc[nH]c(C#CCCO)c1 2145935845 CHLQHUFPFNJHIB-UHFFFAOYSA-N 427.482 1.056 30 10 IDEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2255698906 TXGVBOUFOAVMLD-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE CN(CCCOCc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255799546 KFUXZZHCTMHUHU-UHFFFAOYSA-N 449.382 1.947 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256620116 FECXCJNMLJMUCD-CABCVRRESA-N 433.314 1.690 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267144955 CJBXDNQIFJYYMK-GASCZTMLSA-N 446.357 1.862 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)nc1B1OC(C)(C)C(C)(C)O1 2267184901 YGVBLHQAKJUDFT-HNNXBMFYSA-N 446.357 1.991 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C 2267185100 ZMLFVKYEFRPCBI-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2267500262 GEMKIPYRJPMZHN-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267548376 RFQBICRKSXJYPB-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3CC4(C3)OCCO4)ccc2F)OC1(C)C 2282875688 SOZBETLSCDEWCD-UHFFFAOYSA-N 427.303 1.556 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2290346809 CPGDPENPRWSQNU-HNNXBMFYSA-N 441.322 1.358 30 10 IDEE Cc1nc2ccccn2c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 2296098916 LXOWYNDEOOISHQ-OAQYLSRUSA-N 447.495 1.792 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CCO)COCc1ccccc1 2320448465 RBSVHBKYYUBEII-QGZVFWFLSA-N 429.326 1.417 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2320975602 JPTAYFWAALQBER-UHFFFAOYSA-N 436.314 1.172 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1C[C@@H]2CSC[C@H](C1)C2=NO 2341135313 ZMGRDPWBIGZMLU-WDNDVIMCSA-N 437.543 1.564 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)c1 20292332 UHCBEGGFWHOQFQ-AWQFTUOYSA-N 429.462 1.589 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)o1 59878710 JFFZPFLXLGBLIN-NGYBGAFCSA-N 447.437 1.218 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc(OC)c1OC 110567824 TTXRQBHICYGADV-OAHLLOKOSA-N 444.488 1.990 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc23)CC1 432819250 FXTSFMQJUAKZIZ-KRWDZBQOSA-N 428.562 1.415 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)nn1CCC#N 441783502 CCWHETJLJNIXIY-QGZVFWFLSA-N 432.488 2.235 30 10 IDEE CCOC1CC(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)(N2CCOCC2)C1 444169183 PBPHYDAYPVPMQI-UHFFFAOYSA-N 428.537 1.055 30 10 IDEE N#C[C@H]1CSCCN1C(=O)CN(CC(=O)N1CCSC[C@@H]1C#N)c1ccccc1 462584355 ZLGXTZMQUGQLOV-ROUUACIJSA-N 429.571 1.428 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)CC1 465231378 DCMOAOGZOYWTGA-UHFFFAOYSA-N 426.420 1.146 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc1 466107486 MYQXOCRODJXIIW-UHFFFAOYSA-N 427.549 1.961 30 10 IDEE CCN(C(=O)COc1c(Br)cc(C#N)cc1OC)[C@@H]1CCS(=O)(=O)C1 479958491 CFCINWCZYLOTMY-GFCCVEGCSA-N 431.308 1.744 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(C[C@H]2CCCO2)c1=O 501992701 DAPKZLIWJQOCGU-QGZVFWFLSA-N 438.484 1.347 30 10 IDEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CCN(C2CC2)C(=O)C1 508907592 NQXFYIDZCOVHJQ-UHFFFAOYSA-N 449.603 1.901 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccccc1 530653391 VWSXUWHYRUOTGA-UHFFFAOYSA-N 434.546 1.921 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)c1 539598409 INAHNKHYXRBOOE-INIZCTEOSA-N 441.553 1.919 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](c3ccnc(N)n3)C2)CC1 548931246 RIGMMHUDTABKQO-FUHWJXTLSA-N 425.562 1.709 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)N3CCN(c4cnccc4C#N)CC3)cn2)CC1 572069329 DOJGRVKDHMNLQB-UHFFFAOYSA-N 434.548 1.522 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccco3)n2C[C@H]2CCOC2)CC1 582618673 GDSHNKJBNHKKCH-GOSISDBHSA-N 428.537 1.117 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 589447951 OSQRAJMSYFIKAU-UHFFFAOYSA-N 427.574 1.959 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@H]3C(F)(F)F)CC2)cc1 610047455 GGTKMCIAILHXGQ-MRXNPFEDSA-N 431.436 1.749 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc3cnccc23)c1=O 611917504 KMVAXCNSGPFVDP-UHFFFAOYSA-N 448.548 1.690 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 618202231 FMCXSNVKTHUVAS-YCRPNKLZSA-N 444.923 1.764 30 10 IDEE CN(C)C[C@@]1(O)CCCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 618924595 ZQBIBIHALAZHJB-QFIPXVFZSA-N 427.505 1.938 30 10 IDEE COc1ccc(CCN2C(=O)C(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)cc1 725769552 VTOWZGRNVICXTQ-UHFFFAOYSA-N 448.483 1.075 30 10 IDEE CC(=O)Nc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)c1 729669465 PVNYXULRUXMPSN-UHFFFAOYSA-N 426.461 1.532 30 10 IDEE C=C(Br)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731405265 FRWSNBBOZFFAFN-ZDUSSCGKSA-N 431.308 1.603 30 10 IDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1F 732153480 HVDLEWYUIVHNRR-VLGSPTGOSA-N 438.481 1.159 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 732465116 CLSZELWNKQKZAQ-YISVQYQQSA-N 433.459 1.755 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795574 NKVPCHPZGUXSTN-UHFFFAOYSA-N 433.537 1.767 30 10 IDEE Cc1cccc(N2CCN(CCCNC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 735844273 DRQJCZGVKVARJN-FCQUAONHSA-N 425.533 1.540 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C#N)cc1 747318224 QTWAVGVMDZSOAC-UHFFFAOYSA-N 427.442 1.150 30 10 IDEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCC(NC(=O)OC(C)(C)C)CC1 749568633 DCUXZLSVFMQPFW-ZCXUNETKSA-N 435.525 1.990 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2I)CCN1C1CC1 750256759 QXKNFSGZJZKLNR-LBPRGKRZSA-N 442.232 1.568 30 10 IDEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755545429 IAKOWLXPZHMFJS-GDBMZVCRSA-N 430.461 1.595 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(Cl)c(Br)c1 756178653 CIYUTZYDYJKSMU-YPKPFQOOSA-N 441.669 1.684 30 10 IDEE CS(=O)(=O)N1CCCc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc21 760404612 HNQXFEQVFUMSFB-UHFFFAOYSA-N 439.559 1.932 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766792490 GYFQGJXSRQXXOF-SHYALIGYSA-N 435.843 1.410 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2ccccn2)cc1 772525063 LNMAGOAVRRGUGI-NCELDCMTSA-N 443.529 1.582 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC 790241043 ZWUNAKYEBGZVTE-OAQYLSRUSA-N 432.477 1.425 30 10 IDEE CS(=O)(=O)c1cc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(C(F)(F)F)c1 790865695 VBLOQFUDDHHAPZ-OAHLLOKOSA-N 430.452 1.991 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](C)N1CCCCC1=O 793924888 NRLMOJMCAATJQX-WBVHZDCISA-N 434.562 1.657 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C1 799258038 YOBGSGBTRWWUGN-CJNGLKHVSA-N 427.461 1.237 30 10 IDEE O=C(N1CCO[C@@H](C(F)F)C1)C(F)(F)C(F)(F)C(=O)N1CCO[C@@H](C(F)F)C1 801008480 QTWANVFIVDXYGV-HTQZYQBOSA-N 428.276 1.242 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1C 801284903 GOSMGCFCNCMFRC-UHFFFAOYSA-N 427.530 1.539 30 10 IDEE COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2ncccc2C#N)CC1 802392146 GSIFTOBEKVMPIH-UHFFFAOYSA-N 433.472 1.913 30 10 IDEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 803848351 PKSRUPXPSZBXFZ-UHFFFAOYSA-N 425.420 1.032 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)c1 856586722 KVLRMWJZLXTKKI-HXUWFJFHSA-N 434.518 1.306 30 10 IDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1(Br)Br 1134428921 HCHMPXZGPGLDNW-JMJZKYOTSA-N 426.130 1.279 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)C1 1138067816 NTSLPLSTOXQTAX-MMZUESARSA-N 431.537 1.836 30 10 IDEE C=CC1(CC(=O)NCCNS(=O)(=O)c2cccs2)CN(C(=O)OC(C)(C)C)C1 1151546683 VSDMACMSEKCEAJ-UHFFFAOYSA-N 429.564 1.956 30 10 IDEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)c2cncc(C#N)c2)CC1 1211929237 DNNDPAOHJDQVLZ-OAHLLOKOSA-N 448.570 1.861 30 10 IDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1230743064 HXXNOQWFWVKGKN-UHFFFAOYSA-N 428.536 1.920 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NCc3cnn(-c4ccccc4)c3)CC2=O)cc1 1251342182 KDFVBVWAJCKERJ-IBGZPJMESA-N 443.463 1.956 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1274999785 VEGCQXORDAZLKN-QFIPXVFZSA-N 433.424 1.319 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286390519 AMJIVTNZSHNHAI-FHWLQOOXSA-N 435.594 1.488 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1286390701 FCKAIWFHSMPDQN-KRWDZBQOSA-N 433.578 1.608 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccnc1N1CCOCC1 1286469156 DHVLVDPHCNDHGQ-LJQANCHMSA-N 426.521 1.496 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOC[C@H]2C)CC1 1286475052 VTZBSDXKCSUGEZ-QGZVFWFLSA-N 429.956 1.469 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C 1286518353 DYAFMLPEWZGVRM-XWPFZBMNSA-N 429.612 1.428 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1 1286526726 XBSJHIIVFQTAFL-LAUBAEHRSA-N 442.545 1.200 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C)N(C)C)C1 1286807709 FPYSGIMXMFVYMU-IAGOWNOFSA-N 437.548 1.923 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1288528649 APBLKKLSXBFFSF-ZFWWWQNUSA-N 429.550 1.923 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)N(C)C 1288672841 FJWJZVBLWDQOQA-AHRSYUTCSA-N 437.548 1.926 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)OCC)ccc1F 1288742093 JVPJNOKIGXSNIQ-GDBMZVCRSA-N 428.482 1.521 30 10 IDEE CN(c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1298133900 GILUETRUZHIAMA-ITZAQCPESA-N 426.452 1.836 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(S(C)(=O)=O)cc1 1300320603 GVWDZCWOLXREFP-MRXNPFEDSA-N 445.545 1.341 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1300487111 GHTLHPXJGSOILE-MRXNPFEDSA-N 445.545 1.107 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1300691047 VXUGRWTZSGTIQW-FQEVSTJZSA-N 447.543 1.067 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1300823314 CFKHWACCVLNOFR-UHFFFAOYSA-N 441.374 1.626 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1COC(C)(C)OC1 1300952587 ZGOPPQWBOPEXDK-MRXNPFEDSA-N 443.570 1.022 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301448888 GSJLMBYCZSVLRB-VFNWGFHPSA-N 426.525 1.320 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCn1cccn1 1301496656 FDEXRUKEAJKXLO-UHFFFAOYSA-N 431.504 1.766 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)CC(F)(F)F)C1 1301566015 IXZIOELXPKQFBX-HNNXBMFYSA-N 430.475 1.676 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)cc2)cc1 1303075871 JFXUSYMPUALMAR-FQEVSTJZSA-N 439.541 1.760 30 10 IDEE Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304836621 CGFRYSGTAYRVST-OZNQOIHVSA-N 443.552 1.492 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CCO1 1315011973 CUFQXBCRXKLUOJ-SJLPKXTDSA-N 426.546 1.911 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1315904779 GZXUNSPFUDFGFZ-FQEVSTJZSA-N 437.548 1.454 30 10 IDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)nn1 1351937416 VZGBVGYGWAXOPS-UHFFFAOYSA-N 448.549 1.584 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1359022106 NHEBDRAYRTVMMF-JOCHJYFZSA-N 442.589 1.634 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)C(C)(C)C)CC1 1359033391 AGKIBZBOKHBZQJ-UHFFFAOYSA-N 445.589 1.922 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCSC2)CC1 1359039987 DHWFWOKBJCNTMV-MRXNPFEDSA-N 432.594 1.525 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1359057337 XHIDSXAJWUXWLZ-KOHRHEQBSA-N 439.607 1.499 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCOC1 1359090794 GJVBIEJKDXFSGL-MLHJIOFPSA-N 441.598 1.732 30 10 IDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1359126935 CYUYHKYBCHJHST-UHFFFAOYSA-N 444.355 1.863 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359142383 GRNRAUIIEMUMGD-IAGOWNOFSA-N 440.976 1.497 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCCCC2)CC1 1359299590 IZGKHCRJIPDFQV-GOSISDBHSA-N 429.569 1.234 30 10 IDEE CN1C(=O)CO[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)[C@H]1c1cccnc1 1446024074 NNQAGJUKYPQGSC-YADHBBJMSA-N 435.484 1.451 30 10 IDEE C=CCOc1cccnc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1453808184 DSJMXRGSIOLAEN-UHFFFAOYSA-N 430.530 1.383 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C[C@H]3CCCOC3)C(=O)OC)ccc2c1=O 1457973501 YBKRQRWSKVUPJO-DYVFJYSZSA-N 431.514 1.959 30 10 IDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1=O 1466737715 RTYUUTIBBMGCIZ-GOEBONIOSA-N 446.504 1.679 30 10 IDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1467494700 FQOILKPGKCUVFB-SFHVURJKSA-N 438.440 1.266 30 10 IDEE O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NCCOC(F)(F)C(F)(F)F 1469951766 NABXGFQFZXLZTQ-UHFFFAOYSA-N 441.325 1.714 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCN2CCC[C@H]2C(N)=O)C1 1470238907 ISKMZWJWRJEDDY-KRWDZBQOSA-N 434.338 1.213 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 1471323063 SIYRDSSMJSCYBY-UHFFFAOYSA-N 438.569 1.962 30 10 IDEE CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1478506996 HZZWYTFQAIBFHY-LJQANCHMSA-N 436.516 1.688 30 10 IDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CC1 1503379614 BWVYMQPIYRMBMY-AUSIDOKSSA-N 437.548 1.771 30 10 IDEE COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504891278 FFPGEBSJAQOKGX-UHFFFAOYSA-N 436.520 1.840 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1505322703 SOCRCQJNWLQDNG-MJGOQNOKSA-N 435.463 1.552 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507633348 FZHLGZQIURXPCV-CQSZACIVSA-N 438.500 1.545 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1507633640 UHAORMLFHSTZOO-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1507710410 FZWLZKZSNNOVJV-INIZCTEOSA-N 436.509 1.462 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CC2)CC1 1507722730 GPIYCMCCRURKNC-UHFFFAOYSA-N 433.965 1.931 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1507774947 FNQNNYQUSXPKBO-QWHCGFSZSA-N 425.331 1.382 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1507882017 VADTYJWPZWLRAB-FQEVSTJZSA-N 441.598 1.758 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1508087453 RCYQRTPCIRHFAH-UHFFFAOYSA-N 442.951 1.931 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@H]1CC 1508167773 PNNOMBDVOWRBQZ-CQSZACIVSA-N 434.591 1.904 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(OC)CCOC2)c1 1518049956 CXBVYSTVDFOKAG-NQIIRXRSSA-N 429.477 1.497 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1519394895 XQKBTRPBZUYOFI-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@H]2CO)CCO1 1521136089 BMGPCHMITRQEHT-VQTJNVASSA-N 425.537 1.230 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@](C)(Cc1ccc(OC)c(OC)c1)NC(C)=O 1531580291 OPOTYKFPGRRXNR-HSZRJFAPSA-N 432.517 1.945 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C#N)ccc43)CC2)cn1C 1533909790 BRJGLWSBHNSRRP-UHFFFAOYSA-N 427.530 1.980 30 10 IDEE CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1534482116 UQYVHRQXDNFJNE-BBRMVZONSA-N 438.937 1.822 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1538961871 DCZITWXUTABMGA-IBGZPJMESA-N 436.560 1.853 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c1 1539122364 VAUXLMXHNILVGM-QYWGDWMGSA-N 433.530 1.867 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539229613 FISVKQLCVJCGOR-FQEVSTJZSA-N 442.585 1.995 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1539257385 IQJODWBHVSRXLL-UHFFFAOYSA-N 434.525 1.611 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1539429636 BSLJSLOLSNLUAN-SJORKVTESA-N 428.503 1.810 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1541121270 GGTZJEGZXNMQQG-XMTFNYHQSA-N 436.582 1.930 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1541729003 RJNXPUUWQOQWTL-FGZHOGPDSA-N 446.552 1.308 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCSCC(F)(F)F 1541908472 OERIGTVTPMARRB-MNOVXSKESA-N 428.506 1.922 30 10 IDEE CN1C(=O)C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCSCCCO)CC[C@H]21 1554325868 JCKFOAKFGLJNJA-RBUKOAKNSA-N 440.573 1.989 30 10 IDEE CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554601998 LIVLFWJOBVRYNJ-AITUJVMLSA-N 429.546 1.959 30 10 IDEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555497104 SNDGZBKZYLTRFA-OALUTQOASA-N 445.545 1.666 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555802001 VBDDBCKGBHOAAY-OALUTQOASA-N 445.545 1.494 30 10 IDEE CN(C(=O)CNC(=O)c1ccc(C#N)cc1)C1(CNC(=O)OC(C)(C)C)CCOCC1 1558596096 DICQFKSLCNBUAF-UHFFFAOYSA-N 430.505 1.820 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)CC1 1563731650 SOWPSZFTFGVLFV-UHFFFAOYSA-N 435.333 1.167 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)ccc1F 1587213720 WUFGUNOTFWBXOZ-CJNGLKHVSA-N 428.482 1.378 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@]1(N2CCOCC2)CCSC1 1587651791 RBIOKDNASLRJOT-GCJKJVERSA-N 426.590 1.930 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCN(C)C1 1587945697 OJKHDJOBKIJMSJ-LJQANCHMSA-N 434.338 1.852 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@H](O)C1 1588200310 LERFQNPYKZOGIZ-NQIIRXRSSA-N 430.516 1.935 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1589406478 XKQCOXSYKQFWCE-AWEZNQCLSA-N 428.331 1.376 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593895445 PSXLUJMJSQCHEH-FQEVSTJZSA-N 429.912 1.831 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1595021125 UQQSDBUGDZDJRK-HIFRSBDPSA-N 431.584 1.010 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(-n3cncn3)c2)C1 1595664781 JONFDXUVNABGFJ-LJQANCHMSA-N 436.520 1.827 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCO1 1595812446 UJQPAKVMLOUZSC-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H](C)N(C)C 1611717056 IUFSSUWLVLIITH-JFRXWTBNSA-N 445.593 1.582 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC(F)F)n1 1612501635 VXLVRHCXERXMHA-KRWDZBQOSA-N 434.495 1.946 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc2)CC1 1616997941 KCTFHQVLTVYOII-HNNXBMFYSA-N 432.424 1.114 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 1617364811 FKNNWVSNFNPCPF-BZUAXINKSA-N 430.571 1.798 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1620154485 CZTIAIBBNWURMT-UHFFFAOYSA-N 426.506 1.122 30 10 IDEE CSc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)ccn1 1620230990 GYWVUYDVVOPVJY-PXAZEXFGSA-N 439.542 1.495 30 10 IDEE COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1=O 1622464892 CWGNJXUZHMAXKX-CQSZACIVSA-N 448.467 1.034 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccnn2C)cc1 1631959548 OHHRIAGLSPFYLW-KRWDZBQOSA-N 434.518 1.697 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 1632624185 OMAVGBWDEWXEDW-UHFFFAOYSA-N 430.306 1.290 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1635446625 YVJFZPNYGQSHRQ-KGLIPLIRSA-N 426.315 1.813 30 10 IDEE C=C(C)CONC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1640652811 MYUBUQCDDWEMSZ-AWEZNQCLSA-N 433.324 1.606 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1cc[nH]n1 1641760170 LHJHQLXGFVAMSS-IAGOWNOFSA-N 441.488 1.551 30 10 IDEE CCCCN(O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1641868074 VOMIKDWPQNMGNR-UHFFFAOYSA-N 425.551 1.934 30 10 IDEE CC[C@H]1C(=O)NCCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1644628772 OBAADDCPZFZTEF-INIZCTEOSA-N 426.477 1.055 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 1645296757 OWDCXJQXRFXQQG-RHSMWYFYSA-N 439.559 1.041 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@@](C)(C#N)C1 1647991023 KVTNTDCWALZBKS-RDJZCZTQSA-N 444.351 1.893 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)C2=O 1649035585 FRWICIXYWFOPNP-UHFFFAOYSA-N 442.472 1.391 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(CSC)n[nH]1 1652087355 PJTAGXFZVRTKTD-ZDUSSCGKSA-N 436.563 1.581 30 10 IDEE O=C1C=COC2(CCN(CC(=O)NCC(=O)Nc3ccccc3Br)CC2)C1 1660397228 ASXHYRSJOAHMLZ-UHFFFAOYSA-N 436.306 1.842 30 10 IDEE CC(C)(CC#N)CS(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1660819984 BDGIOPLKXMOYRY-INIZCTEOSA-N 429.564 1.503 30 10 IDEE COc1ncc(Br)cc1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1684076133 PIUTVDDTSXAIPH-UHFFFAOYSA-N 448.325 1.798 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCc2cn[nH]c2)c1 1689873449 JIIZGQVYOJNWBE-UHFFFAOYSA-N 446.515 1.423 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1689887297 WJRVPWFPYQRQMV-UHFFFAOYSA-N 433.516 1.664 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1689978436 VPGDFUXHKJSUHF-CQSZACIVSA-N 427.596 1.185 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1689989745 IFZFJVOJCICZPC-RBUKOAKNSA-N 444.557 1.856 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1689993530 GEZPEXOYTLBNRN-FUHWJXTLSA-N 449.602 1.687 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1689999683 GSUGIVPNQQQKHV-JOCHJYFZSA-N 438.919 1.413 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2ccn(C)n2)CC1 1690117735 SWIXBYUHZKCTHD-UHFFFAOYSA-N 435.532 1.694 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690172811 OWZFEEIODUBWCZ-QZTJIDSGSA-N 446.621 1.328 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1690301091 OUNRWEFUQYQDCC-INIZCTEOSA-N 426.587 1.156 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1C1CC1 1690526859 FJXZYNIOAHBBHX-ROUUACIJSA-N 438.598 1.250 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@@H]1NC(=O)NC1=O 1690565395 ITMIHYDEEASVGO-IRXDYDNUSA-N 437.504 1.410 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690672711 AQSRWHSNFSWODZ-GOSISDBHSA-N 438.532 1.381 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1690998994 ABMFUKZXPWWWNO-HNNXBMFYSA-N 427.534 1.770 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1692346901 ROSYBBDBPGANDT-YLJYHZDGSA-N 439.582 1.752 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2c[nH]nc2C)C[C@H]1O 1697066025 RYEKMAKUUMKTHQ-WOJBJXKFSA-N 449.515 1.841 30 10 IDEE COC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1697765508 NVLQRECYYJTPRL-ZWKOTPCHSA-N 431.566 1.472 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1698202044 JNIAEZKXNBKIKU-HXUWFJFHSA-N 427.505 1.864 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1705480938 ZGKKFQVGLKIIMZ-UZUQRXQVSA-N 441.532 1.689 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1705494725 DYNKTLYPVBPKPU-LSDHHAIUSA-N 430.513 1.221 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)c(OC)c1 1705541735 QABMKEDYILCGSS-HNNXBMFYSA-N 449.577 1.953 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705571074 WMPXUPKJEDJMQC-IHPCNDPISA-N 443.573 1.563 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCCC)CC1 1705650815 ZUIUMUMPBHOEBH-UHFFFAOYSA-N 440.523 1.500 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1705895155 VYGKERPVSIUSGY-CJNGLKHVSA-N 434.903 1.958 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1705904767 XZRRXLURAOUKOY-LZQZEXGQSA-N 427.505 1.954 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705907716 VBOQRPVPQBWIOY-NRFANRHFSA-N 449.559 1.776 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1705934329 ISTCOLFKJNXMML-HZPDHXFCSA-N 439.582 1.614 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCOC2)CC1 1705934805 YCZHJDNACSGYTD-DLBZAZTESA-N 437.566 1.083 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1708152751 HURVKVCZSYHZDF-NYHFZMIOSA-N 437.552 1.431 30 10 IDEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 1708243485 ABKKJVYNUJVYJB-HDICACEKSA-N 437.548 1.594 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1710307773 KEQUPRPUAAAIDG-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367930 PBURXQGQJZAQLV-RTBURBONSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1722384616 WSNVZNUETXOZEL-GOSISDBHSA-N 427.530 1.223 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1722391164 YAVQOCAHGUMIRM-FUHWJXTLSA-N 448.618 1.716 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722729984 DGDQYEUHDUGYBN-OAHLLOKOSA-N 444.604 1.155 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1722867176 FAQQCFJPHJHXQG-LSDHHAIUSA-N 448.524 1.345 30 10 IDEE CC(C)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1723932760 CIMKDSUIXYAWDU-FCEWJHQRSA-N 441.577 1.451 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCCC1(C)C 1729543196 XQYVZHLUUCVEKP-QGZVFWFLSA-N 432.550 1.617 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1740549072 DJLZNPMJVCTVCA-QUCCMNQESA-N 445.589 1.928 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCNC(=O)C(C)C)c1 1740564536 QGJDRMJWTAXGQU-SFHVURJKSA-N 438.532 1.610 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740613786 TWAKQJQGRGHNOM-QFIPXVFZSA-N 446.573 1.774 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](C(F)F)N1CCOCC1 1740615974 PCRHHJGILVCAPD-ULQDDVLXSA-N 427.496 1.428 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740641993 IVOHEGYWLIATEB-FQEVSTJZSA-N 441.543 1.837 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1740647536 VMWHVXYURWKLIZ-QHCPKHFHSA-N 429.565 1.504 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1740685227 CMXXWKGICGIOMI-INIZCTEOSA-N 432.502 1.043 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCOCCCO)CC1 1740704690 WLEKSEYTADAUPP-UHFFFAOYSA-N 429.496 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1740705101 CCVUOYPYFDRPSP-UHFFFAOYSA-N 434.544 1.919 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1740774575 VPDPGSUIFCSDQG-QZTJIDSGSA-N 448.593 1.983 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740839206 HKNMAYXULGCBQV-RTBURBONSA-N 435.594 1.841 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740958530 CQXPIJMBBQLPJN-UHFFFAOYSA-N 436.495 1.811 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H]1COCCO1 1743753934 PWUDRYCBKKPXQO-KSZLIROESA-N 440.552 1.974 30 10 IDEE CCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1745158969 JXTRJSSXJCKQJM-QFIPXVFZSA-N 440.552 1.561 30 10 IDEE CCCN1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1=O 1745722146 NGPWCDUPEKYUHG-JOCHJYFZSA-N 442.520 1.892 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1748802086 KVFXVSJKLUWFBK-IBGZPJMESA-N 436.626 1.056 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1748809178 KETBXBHJXQOYIF-HUUCEWRRSA-N 447.948 1.504 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1748814324 DEDLJGTVYRCESW-VCBZYWHSSA-N 437.591 1.142 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)(C)C)CC1 1748978587 NRYHVPSWNWFEGL-HSZRJFAPSA-N 446.596 1.379 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCOC2=O)CC1 1748993710 JCHNOPJANCLGDH-UHFFFAOYSA-N 429.550 1.231 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC(=O)N(CC)CC 1749053851 MUEBGZNYZVHJMP-OXQOHEQNSA-N 438.598 1.529 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCN(C)S(=O)(=O)CC 1749073733 XNDXQOGCTWORCC-OAQYLSRUSA-N 447.609 1.803 30 10 IDEE C=CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1749517543 PLHOXLGSDOHQKS-IBGZPJMESA-N 438.532 1.938 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C[C@@H](C)O1 1749553346 PWIYHRMQDUVGBS-GTCCEBARSA-N 427.505 1.862 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)Cc1cnccn1 1749663423 DUTUJGXRYUSEES-UHFFFAOYSA-N 429.488 1.859 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)C1 1749698740 XLLKWEMCUHJNHO-XXBNENTESA-N 449.596 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)[C@H](C)CC)C1 1749712701 LAUSTGQGOAZBDT-VIPLHTEESA-N 426.583 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1749726676 ACIHXJMJLFRMJL-UHFFFAOYSA-N 445.589 1.847 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CC1 1750389612 DVZMKHHWCAPGOI-OAHLLOKOSA-N 437.957 1.860 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760143524 JEDNWAIGJZLHRU-UHFFFAOYSA-N 441.580 1.062 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1760203522 HKTXMZKVJMRTBF-MSOLQXFVSA-N 430.553 1.609 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760519704 MOGAMMPOOVPYJC-OAQYLSRUSA-N 440.529 1.134 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760543574 UGOYPSJTJICKAO-SKOAFDGASA-N 428.493 1.090 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CC=CCC1 1760554660 JMNUFHJHBBDUQR-IAGOWNOFSA-N 442.607 1.574 30 10 IDEE CCN(CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1766690098 SATDFBXAIJEAIG-GOSISDBHSA-N 438.598 1.279 30 10 IDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1768663781 GMQOGRCNIFSJOK-LSDHHAIUSA-N 442.476 1.032 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C(=O)C1 1854599038 FKJKDHCEKDTTAP-QGZVFWFLSA-N 435.546 1.343 30 10 IDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)[C@H]1C 1854736538 ZQSXNKVFCCQFIW-MRXNPFEDSA-N 437.537 1.862 30 10 IDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C(=O)C1 1855321406 RYNRZWXFBYFFKM-UHFFFAOYSA-N 431.967 1.659 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN(C)CCC#N)CCC2=O)cc1 1855539485 VYIHGJWUQIZWSA-QGZVFWFLSA-N 434.562 1.941 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)C3CCCCC3)C(C)(C)C2=O)CC1=O 1857169654 OFRZJOKDJYJQRA-OAHLLOKOSA-N 425.551 1.133 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc3nc(O)oc3c2)C1 1858334372 GZACJXNNXAQTLT-ZDUSSCGKSA-N 448.482 1.147 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCC(OC)OC)c(C(=O)OCC)c1C 1860761130 MZTADUZRVKZGQV-UHFFFAOYSA-N 428.463 1.250 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1861545054 MUMNYJSVFWDTLC-PXNSSMCTSA-N 433.464 1.360 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cn(CC)c(C)n3)CC2)CC1 1889564947 BOVSAMFWUWJQIV-UHFFFAOYSA-N 437.610 1.022 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 1889598095 GFPCSSICGFRNHV-UHFFFAOYSA-N 440.009 1.902 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2136167156 UIRUESZPWXJEMB-BFHYXJOUSA-N 426.267 1.600 30 10 IDEE CC[C@@H](CN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255603867 ASBMEBUGNGFFPN-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE CC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255641411 RIEQLVBMIGUTMB-UHFFFAOYSA-N 432.330 1.951 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2255647701 CJOAACCBUYHBFE-ZDUSSCGKSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2256067383 OOMLTHOLUOGWMK-UHFFFAOYSA-N 432.330 1.811 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267271603 SRLYCUMIZCLXPU-KBPBESRZSA-N 444.341 1.761 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502215 KLGCQQWUKLLDJA-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NN1CCN(C(=O)OC(C)(C)C)CC1 2269706280 XFJGTPQYADFXRD-UHFFFAOYSA-N 446.357 1.887 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@@H]1NC(=O)OC(C)(C)C 2315530934 BZLPIMNEXMZHOZ-KBPBESRZSA-N 434.346 1.705 30 10 IDEE C[C@@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2319290096 BPOISCDBLCCEMN-AWEZNQCLSA-N 449.338 1.383 30 10 IDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccco3)CC2=O)cc1 2325880702 RGYULNVMGWYRGY-CYBMUJFWSA-N 440.485 1.860 30 10 IDEE C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 16523766 QXEFHWGJZUZTKR-UHFFFAOYSA-N 434.440 1.024 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc1 20833627 YZGPIYYFEROPQD-DJKKODMXSA-N 447.502 1.335 30 10 IDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C3CCN(C)CC3)C2=O)cc1 96573448 GTURFKNMIBNZAF-HSZRJFAPSA-N 428.533 1.961 30 10 IDEE CCC1(CC)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1(=O)=O 425992252 BWFMSYSOHXNACQ-QGZVFWFLSA-N 438.619 1.746 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CCO)[C@H](C)C1 428537964 WKURMNGDGAEISP-CYBMUJFWSA-N 426.311 1.623 30 10 IDEE CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431231626 VHNFITVTTCLEMA-UHFFFAOYSA-N 431.583 1.651 30 10 IDEE Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 431973087 MPMKGVMZSRXENA-UHFFFAOYSA-N 437.481 1.210 30 10 IDEE N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1OC(F)(F)F 443295723 OACKDKZQGCCLSZ-CQSZACIVSA-N 440.378 1.291 30 10 IDEE N#CC1(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CCOCC1 464186587 LSKAFKKHQPJQDU-BUAHTRFOSA-N 431.492 1.655 30 10 IDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 497676606 KZVRUYYRENCGOJ-UHFFFAOYSA-N 441.532 1.344 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 503134476 CSLLUQPXQZMNTK-JOCHJYFZSA-N 444.536 1.223 30 10 IDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505515979 PWCXMIJUXJTYDK-QZTJIDSGSA-N 425.489 1.623 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 512429112 CBXMHMKXXRMLTP-LJQANCHMSA-N 434.500 1.465 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)nnc12 518752962 BKZWIURUKQDGCY-KGLIPLIRSA-N 440.529 1.435 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 557076249 FRIUABLSUNVBII-QGZVFWFLSA-N 427.548 1.260 30 10 IDEE N#Cc1cccc(OC2CCN(C(=O)C(=O)NCc3cccc(N4CCOCC4)n3)CC2)c1 563737274 CCZIIVOYTUFLRL-UHFFFAOYSA-N 449.511 1.476 30 10 IDEE Cc1occc1C(=O)NC1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 608949119 IVSKWDHWHBSPER-UHFFFAOYSA-N 429.498 1.796 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669813173 BQYKHYFIDHOHNN-MJGOQNOKSA-N 429.569 1.079 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 728582529 PNTXHCABWDJVSX-LLVKDONJSA-N 437.293 1.168 30 10 IDEE CCN(C(=O)[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@@H]1CCS(=O)(=O)C1 729831823 BDNXYQBTWHONRH-HUUCEWRRSA-N 433.486 1.831 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 730141489 KLTSXPWTIRXABW-DOTOQJQBSA-N 433.578 1.519 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1I 732706925 RPZJNQJXTUYBRD-CQSZACIVSA-N 438.269 1.737 30 10 IDEE N#C[C@@H](C(=O)Cn1c(C(F)(F)F)nc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 732908369 JKCQSWXHYJXYHH-NSHDSACASA-N 428.392 1.021 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 735069192 NGELODJEYWNONN-INIZCTEOSA-N 428.558 1.814 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)ccc1F 766076052 FLNDQIZUPMZNGQ-MRXNPFEDSA-N 426.466 1.084 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C2CC2)C1 772597812 BZJIBLDOECVENJ-HEWTWTGNSA-N 433.509 1.696 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2COC3(CCOCC3)O2)C1=O 776744122 RHRBLEYGGLCTAP-DOTOQJQBSA-N 444.513 1.548 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1 790163850 XGZMWZQNQDHXEJ-LLVKDONJSA-N 439.433 1.303 30 10 IDEE C[C@]1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]2CC[C@H]1O2 791550760 FYSRSKHNXNPAHQ-SRVWHDFXSA-N 440.456 1.956 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC(=O)N2C(C)(C)C)cn1 796608386 JSYYPYOBGFJZMW-IEBWSBKVSA-N 443.529 1.626 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)[C@H](C#N)C1 799258039 YOBGSGBTRWWUGN-CZUORRHYSA-N 427.461 1.237 30 10 IDEE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 802321417 VIJJSEXKQLHRLY-MQVJKMGUSA-N 427.530 1.786 30 10 IDEE C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812748093 MTLBRLLSRSMQPS-SFHVURJKSA-N 432.473 1.960 30 10 IDEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)cc1 1084553864 BIPHFDCQDYFIRW-UHFFFAOYSA-N 427.538 1.932 30 10 IDEE CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)[C@@H]2C[C@@H]2C#N)CC1 1124380287 BFXTWBSBMUEKMA-SJLPKXTDSA-N 433.578 1.957 30 10 IDEE COC(=O)C1(O)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1137586627 XUDHKVRZPOVPEF-GOSISDBHSA-N 443.500 1.919 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1149507996 KJTLSXDKCPKYIA-UHFFFAOYSA-N 443.485 1.484 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NOc1cccc(C#N)c1 1151431734 GDCCCFWJWIOAJL-SFHVURJKSA-N 431.470 1.698 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OCC 1151574539 TVAWRUUYBIAJOV-OAHLLOKOSA-N 430.910 1.981 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3c(C)nn(CC(=O)OC)c3C)n[nH]2)c1C 1153249532 OEDUWUKPGYDXSP-UHFFFAOYSA-N 425.493 1.992 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1164670921 ATXWVYDQYHQORU-JQHSSLGASA-N 442.375 1.933 30 10 IDEE COC(=O)C1(C#N)CCN(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CC1 1194392871 FEMPVKIXWHKATQ-UHFFFAOYSA-N 426.517 1.495 30 10 IDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC2=O)cc1 1266190658 FPJDPXCENFNZJM-DOTOQJQBSA-N 447.499 1.397 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](COC)OC 1286277351 YBQDEYNOKSEXSL-HOCLYGCPSA-N 434.566 1.666 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1286365610 ZWNLWRVGPJQQKX-QGZVFWFLSA-N 427.505 1.955 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1286385516 NLDPDZVICMUQNW-SFHVURJKSA-N 437.610 1.264 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286394718 WQCFBKOZJXPNCI-GOSISDBHSA-N 435.594 1.552 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286627235 BGXCDZHKPUPZKV-LBPRGKRZSA-N 442.929 1.276 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1286791108 NECNQEJYCZBOLD-INIZCTEOSA-N 430.557 1.607 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286793962 QVRRNPYIFMLHOX-GOSISDBHSA-N 440.552 1.672 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1288517265 BNOOLROTFDNEJH-GDBMZVCRSA-N 445.549 1.266 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnn(-c4cccc(Br)c4)c3)C[C@H]1CS(=O)(=O)C2 1289203877 IJRUKTQBGUUGBY-GUYCJALGSA-N 435.303 1.645 30 10 IDEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1298021998 XVFSJKNBKAONGP-IBGZPJMESA-N 433.530 1.973 30 10 IDEE CN(CC1CC(F)C1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298487383 MZRDAHTZIHIUMQ-QZQOTICOSA-N 439.495 1.975 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCN1CCOC1=O 1300464432 DYHKQSSRQNJKGL-INIZCTEOSA-N 448.524 1.498 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1300571815 MBPRUGPWMQRBGS-UHFFFAOYSA-N 435.484 1.419 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(CC)C1 1300657531 MZURXYLFYGCEHD-SFHVURJKSA-N 445.589 1.776 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1300672058 UQFHNAFPVRBZRO-KGLIPLIRSA-N 438.472 1.234 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1300775906 CCMIOPRGYYHODN-QGZVFWFLSA-N 447.536 1.704 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301585839 FOSHIPBKKBNDBG-LJQANCHMSA-N 441.561 1.940 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCCC)CC1 1302923996 HIZOAOAGDRFQTH-UHFFFAOYSA-N 440.547 1.712 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1303901590 WXLFUYMNMNZKAW-YOEHRIQHSA-N 445.549 1.074 30 10 IDEE C#CCC1(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CCOCC1 1309871881 LMQDUQVSSZFQDV-UHFFFAOYSA-N 436.349 1.703 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCO2)nnc1N1CC[C@](F)(C#N)C1 1314629454 POMXVRKPFOEGBT-FVJLSDCUSA-N 433.532 1.514 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCN2CCCO)CCO1 1316538447 KKSNDRPBUCTNEB-SJORKVTESA-N 431.928 1.569 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1 1354645688 JPZDUFRISGKTFX-SFHVURJKSA-N 427.501 1.645 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c1 1356150284 UYLUPWGGVZQXBT-UHFFFAOYSA-N 441.531 1.078 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1358890939 XKKODFOUHWVOIU-FUHWJXTLSA-N 430.578 1.928 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1358933537 WSQDBRMVWYRTNR-IBGZPJMESA-N 425.537 1.381 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358961314 WGJRFCBYLIOXSQ-KRWDZBQOSA-N 446.577 1.011 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCS(=O)(=O)C1 1358971396 SZNWSXFWMHWDNK-KRWDZBQOSA-N 434.525 1.843 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Cl)c1 1358978904 XTFDDILNBUZZAL-INIZCTEOSA-N 432.933 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OC)C2CC2)CC1 1359041863 KXOVOCRNXULKPZ-WMZHIEFXSA-N 445.564 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(C)C)CC1 1359044572 JDZXZQYMIWOBRI-FQEVSTJZSA-N 430.597 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NC(C)C)CC1 1359046144 GQBLKYHCUWNXGR-UHFFFAOYSA-N 440.523 1.498 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1359466432 BGRVCCGKELUDBO-GFCCVEGCSA-N 436.314 1.490 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1359854479 VBABAKPQMFCUEX-VGSWGCGISA-N 425.537 1.610 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1445689300 MKESTERPVPYKSZ-UHFFFAOYSA-N 446.305 1.104 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc(Br)cc2Br)c(=O)nc1O 1453839801 CZGKLWIPBFSHMK-UHFFFAOYSA-N 442.067 1.776 30 10 IDEE CCCCCCn1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc2c1=O 1463163705 PGXPTOZCOHVTPJ-KSFYIVLOSA-N 442.541 1.987 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Oc2c(C)nn(CCC#N)c2C)C1=O 1463283698 ZSXZXAYTVBJEJC-OAQYLSRUSA-N 425.445 1.795 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCO[C@@H]2CCCc3ccccc32)CC1 1468856960 GUCPPFWRZFQTMW-HXUWFJFHSA-N 434.562 1.266 30 10 IDEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCC1 1475839299 XHDYERADGMFICY-OAHLLOKOSA-N 425.532 1.220 30 10 IDEE C#CCC1(O)CCN(C(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 1477845555 RMQOEHARAHVTTD-UHFFFAOYSA-N 443.544 1.929 30 10 IDEE CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1499594316 JTVPSPPTRIRLPS-LZICOFPGSA-N 427.509 1.382 30 10 IDEE CN(Cc1ccoc1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503506582 SIFRZSGYMDKJSA-MXLIYFDZSA-N 426.477 1.928 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C[C@H]1O 1503883702 RKKQJRGVYGBNAL-SJLPKXTDSA-N 441.488 1.004 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1507616666 LKVOHAWDXAJKKW-INIZCTEOSA-N 425.461 1.007 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507622164 GQRSDSPMXOTNIR-GOSISDBHSA-N 449.621 1.993 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CC)C1 1507647934 IOLXYECVKJBVPZ-GOSISDBHSA-N 439.589 1.653 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1507671354 JNOPMYUBXSAFKN-INIZCTEOSA-N 447.948 1.771 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C)C1=O 1507703246 RXTUCIZFFDAPIG-HSZRJFAPSA-N 438.532 1.712 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOCC2CC2)CC1 1507737899 CTOCCDRTUNWTRT-HXUWFJFHSA-N 429.565 1.955 30 10 IDEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507904754 OVQZMXQLCCNCDA-QFIPXVFZSA-N 446.573 1.852 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ncnn2C(C)(C)C)C1 1508109860 VYBNNWCGZSBZSC-MRXNPFEDSA-N 428.541 1.690 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)CC[C@@H]1C 1508144877 IWNRDIVREHPZEM-HRCADAONSA-N 430.596 1.406 30 10 IDEE CC(C)COCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509482364 YABXCMFQVVRCFW-LJQANCHMSA-N 429.569 1.640 30 10 IDEE Cc1cc2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)ccc2[nH]1 1510691626 HGVWMSPUXABPHZ-YOEHRIQHSA-N 443.533 1.455 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)c1 1516763058 VYNVTEBYYAYMCG-UHFFFAOYSA-N 426.477 1.495 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1517598717 CHZSHYRHRLWOGB-QGZVFWFLSA-N 435.492 1.298 30 10 IDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1517909500 AKNNILNDBBVFES-UHFFFAOYSA-N 436.472 1.977 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)ccc1F 1528591062 UJOBXWAAJYAHTK-KRWDZBQOSA-N 442.509 1.436 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@H]1C 1539154538 PTWSSNXRXVMZFF-MRXNPFEDSA-N 445.593 1.337 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539200547 KJJMNBGKDXGKSW-IEBWSBKVSA-N 443.573 1.847 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1539202370 HKZLMOVZQVZTSM-SFHVURJKSA-N 443.573 1.544 30 10 IDEE Cc1ccc(C(=O)Oc2c(C)nn(CCC#N)c2C)cc1S(=O)(=O)N1CCOCC1 1539273726 DVBIDPSVWNVXPU-UHFFFAOYSA-N 432.502 1.962 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1539416678 RKTCTXUWZPFVQK-INIZCTEOSA-N 437.591 1.582 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1539438257 UHGMTBFYTLFZEP-HXUWFJFHSA-N 438.557 1.539 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1539481912 IFPWYILKNOPLQX-HNNXBMFYSA-N 426.487 1.691 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1539632990 WEKQGLBSVYGRNA-WFXMLNOXSA-N 447.580 1.885 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539646061 UJLFAMCZGXADIY-VYMYIBDJSA-N 433.553 1.650 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1540019539 BCDFIAWULRBOHB-BBWFWOEESA-N 427.571 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1nncn1C 1540903015 WKDRKVPGZZUTGF-HOTGVXAUSA-N 435.554 1.591 30 10 IDEE C[C@@H]1CSCCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1545131165 IIPCIGXFYNTHMG-NFSBEEMKSA-N 432.550 1.988 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNS(C)(=O)=O 1546316939 XVTNOPCDSWLSGK-QGZVFWFLSA-N 448.549 1.088 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1555664675 SHMXWKJAZXDTPD-FUHWJXTLSA-N 447.584 1.341 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CCOCC1)[C@H]1CCSC1 1556835291 JDYWHPNQEGPDCG-ROUUACIJSA-N 425.595 1.959 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C1=O 1557914159 CHENQXLRPXKFTB-BJKOFHAPSA-N 447.495 1.941 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](O)c2cc(OC)ccc2OC)c1 1558249565 MHORAOFTTGVAJF-JLTOFOAXSA-N 432.498 1.467 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(C)c2cc(C#N)ccn2)c1OC 1585240408 QDPCJWZWDNFCNR-UHFFFAOYSA-N 446.485 1.268 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OCC 1588140273 VDGGSBYZGNCFSA-LJQANCHMSA-N 426.542 1.894 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1588762531 JFULFFFJETWJFF-UHFFFAOYSA-N 429.546 1.286 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1594498381 UMHVCXHWIKANKP-IXDOHACOSA-N 435.594 1.840 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 1594797370 KGBIYVARFVBFTI-UHFFFAOYSA-N 425.466 1.788 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1595517300 WJLGGRFWMFLYPQ-GOSISDBHSA-N 430.516 1.921 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCCOC1 1595551450 QUMMOEUXQVMPBW-QFBILLFUSA-N 427.505 1.956 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 1595602538 MWULHSDFYKWOBH-SJLPKXTDSA-N 434.585 1.707 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1612197347 KYYLMYFEKAUOQU-VZCXRCSSSA-N 432.488 1.915 30 10 IDEE Cc1nccnc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1612454921 BRGSOTNYLLYRDU-JXFKEZNVSA-N 429.550 1.651 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1617795238 ZYPUYHPLIVMBFI-UHFFFAOYSA-N 434.447 1.393 30 10 IDEE CN(CC1CCCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1618082021 SDKAGTOUYJEGKN-LZICOFPGSA-N 427.509 1.382 30 10 IDEE CNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1618793284 ZOUXDWQYTVRRMV-UHFFFAOYSA-N 438.879 1.665 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)C[C@H]1O 1618884218 UKGUQAOIADGHSY-KCUHQSDYSA-N 439.516 1.850 30 10 IDEE N#CCc1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n1 1625015128 LTFGRJPIWHIXGO-HNNXBMFYSA-N 426.454 1.723 30 10 IDEE CN1CCN(C)CC(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 1626103940 GOYDHYKLQOETRA-ATJXCDBQSA-N 435.594 1.712 30 10 IDEE COc1ccc([C@H](CO)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1626128265 OMNACFGPPDRMJQ-INIZCTEOSA-N 431.514 1.406 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1626507388 HCEGSFAPJHPYSQ-UHFFFAOYSA-N 448.545 1.839 30 10 IDEE C#CCC1(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CCC1 1626547734 PBLCFWOPSAYAIE-UHFFFAOYSA-N 431.514 1.831 30 10 IDEE Cc1nc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)nn1-c1n[nH]c(C(F)(F)F)n1 1627790435 ODGOJBDPJBHJCU-AWEZNQCLSA-N 445.409 1.935 30 10 IDEE CC(C)c1nc([C@H](CO)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cs1 1627951467 SBIMHTNSDNJOJU-OCCSQVGLSA-N 436.559 1.933 30 10 IDEE COc1cc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)ccc1C#N 1635039938 IFNHZILNVPOBML-UHFFFAOYSA-N 436.465 1.574 30 10 IDEE C[C@]12CCN(C(=O)NCCn3cnc(C#N)n3)C[C@H]1C2(Br)Br 1635092131 JSWPPDAQLYYRHU-SKDRFNHKSA-N 432.120 1.687 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1)c1cc[nH]n1 1638502311 UYTFYFCWAYKDGT-HZPDHXFCSA-N 428.445 1.109 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)c1 1653724380 AGYAZKGKTYBDQM-UHFFFAOYSA-N 426.498 1.629 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CCNC(=O)O3)CC2)CC1 1656323279 AEXJLBJYQPGWBB-IBGZPJMESA-N 429.496 1.499 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C 1661545061 PQAPGZPYQKSUPA-GOEBONIOSA-N 426.560 1.911 30 10 IDEE C=CCCn1cc(CN2CCN(c3ncc(I)cn3)CC2)nn1 1665411952 RWTVZBXRKVDHEE-UHFFFAOYSA-N 425.278 1.571 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1675018845 VVEIZKPUHHTSQE-KRWDZBQOSA-N 426.514 1.914 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2)c(Cl)c1 1675456587 LMMJEWZPVCQPGT-UHFFFAOYSA-N 428.880 1.812 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 1679193003 VAMUTENIIVFYCT-UHFFFAOYSA-N 443.554 1.582 30 10 IDEE Cc1c(Br)cccc1CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1684005969 KCNMVGDAWQTAEG-UHFFFAOYSA-N 432.278 1.701 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1684753611 RQLNNVOPTYPIFL-IBGZPJMESA-N 425.533 1.972 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1689852945 NAEMDNWDCVPOEI-CVEARBPZSA-N 439.582 1.895 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1689935675 OWWDCLLXTFTHQJ-SFHVURJKSA-N 431.562 1.783 30 10 IDEE C#CCCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1689941878 WQRKVIBJWIFUPW-HXUWFJFHSA-N 439.582 1.204 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CC1 1690122602 WPUSULCIPWVJKH-LBPRGKRZSA-N 439.467 1.508 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690179087 LZPGBDJBGSFSAK-QGZVFWFLSA-N 434.591 1.342 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CS(C)(=O)=O)CC2)CC1 1690397043 UEWXDBFRDVFCSH-CQSZACIVSA-N 445.611 1.116 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)CC1 1690411021 CVWUXMAVRPXSAG-RBUKOAKNSA-N 437.610 1.429 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690658894 CUCYWFNOYCCHFY-LMMKCTJWSA-N 431.585 1.083 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1690665749 OHQWGSYRZDCXPO-QFIPXVFZSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1690673442 WEEBOAZJCXMQKX-UHFFFAOYSA-N 441.536 1.623 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2CCCC[C@@H]2C1 1690727126 URVMDORFBAIGIL-LJQANCHMSA-N 430.578 1.539 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1692528275 ZQUAMFDLIRCNSY-DXNFXHBHSA-N 427.509 1.322 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1694783506 FWACASBKMZCMIT-PMACEKPBSA-N 437.548 1.378 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC(=O)N(C)CC)CCOC1 1696020301 CDIILHLDANCCPL-JOCHJYFZSA-N 426.521 1.917 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1 1696875023 BIERAWMBOSRCPJ-QFIPXVFZSA-N 425.537 1.234 30 10 IDEE CO[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697661071 VMVCOVNICXZCSQ-SAZZCXPWSA-N 430.509 1.661 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1705479280 GXMUHEXEXNOGOG-LBPRGKRZSA-N 433.314 1.668 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1705580845 OZVJOCNVYZEQPY-GOSISDBHSA-N 426.590 1.664 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)N(C)CC)CC1 1705638615 QKIWCNGOPPKITG-UHFFFAOYSA-N 433.516 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1705647417 DNOWPVDXUPFMPH-NRJQMVOHSA-N 431.537 1.025 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 1705894953 OXJWSGDZUGULLJ-UHFFFAOYSA-N 439.564 1.955 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705906660 LSQYTZPVPJIFAQ-QGZVFWFLSA-N 447.561 1.399 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705918929 SUJLZRNJASRZFN-BSBNDGSWSA-N 435.488 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCNC(=O)[C@H]1CC 1705931255 KICKETPVVCMHTA-QGZVFWFLSA-N 433.534 1.269 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1711149542 GKPCFSMUCVLTMW-SFHVURJKSA-N 444.561 1.715 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712884767 RRESHNLGGZYZSZ-ROUUACIJSA-N 447.490 1.349 30 10 IDEE C#CCCCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1722340721 GPFKUDFSIAXNGV-VXKWHMMOSA-N 428.537 1.829 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1cn(C2COC2)nn1 1722342887 BITFWVZSWJDIEZ-UHFFFAOYSA-N 428.294 1.988 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722360710 JAIMYOZSKTXSAD-SFHVURJKSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722367172 VHFVLLQQYHUSCA-JQQNFUDXSA-N 428.624 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nnc(C)s2)CC1 1722445414 XJMAVAGDLOZIQZ-AWEZNQCLSA-N 447.565 1.176 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722462936 UOSNTATZEKAJPQ-GOSISDBHSA-N 447.605 1.789 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1722555424 KRGUVXSCQYPHHA-KGLIPLIRSA-N 433.962 1.225 30 10 IDEE C=C(Cl)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722558742 WZIJQAXBLXGHIT-HXUWFJFHSA-N 441.960 1.803 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722607790 JHRTVSKVZAFMJY-UHFFFAOYSA-N 445.612 1.861 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(CC)CC)C1 1722719613 XGTOUJHJQYSJMG-OKZBNKHCSA-N 425.599 1.692 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722858508 PWQZARIVALSFGG-HNNXBMFYSA-N 449.519 1.750 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1722865008 CLLPXZQNJNRKRE-OAHLLOKOSA-N 425.518 1.826 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1726765913 PFBAACHSAWFDAO-IVZQSRNASA-N 426.521 1.708 30 10 IDEE CN(c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1729364043 WSJPMYYIADSTHB-UNEBPCJRSA-N 440.479 1.760 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1729794812 ZHPVSFIJAGSFQL-QGZVFWFLSA-N 437.504 1.620 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740620521 PVHIGQSMDAKBRP-QGZVFWFLSA-N 445.545 1.105 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740655107 YAFKHHHTGTWASI-JOCHJYFZSA-N 447.587 1.670 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1Cl 1740660365 OQEPCGWIABDVFI-KUHUBIRLSA-N 439.969 1.909 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1740764420 FBPZZKWPEMTUBV-SPOLIRPYSA-N 433.553 1.685 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1)C1CC1 1740910922 ULBRHYSTZLFIQI-INMHGKMJSA-N 427.546 1.904 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)C(C)C 1740924213 KGQIAADMYYYSAQ-GOSISDBHSA-N 429.569 1.149 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C[C@H]1CCOC1)C1CC1 1740951077 BWOXZVYFROGWCW-OAHLLOKOSA-N 425.493 1.233 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1740951137 QHOIKXBUNPFRLA-UHFFFAOYSA-N 440.504 1.572 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1740962395 BZVAZVBKISCWGG-UHFFFAOYSA-N 426.521 1.260 30 10 IDEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CC1 1741622359 CIGLWTZQMWACIB-SFHVURJKSA-N 429.569 1.595 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F 1741798241 GHWGHYVBWUYUNG-LBPRGKRZSA-N 440.476 1.468 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1741802049 FFNUGFKPDGTSBU-GJZGRUSLSA-N 447.517 1.726 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1746726265 WRDWOWCQNWSHHK-FQEVSTJZSA-N 430.465 1.332 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C[C@@H]1CC 1747372232 JTJOKGSVEBUELT-FQEVSTJZSA-N 449.563 1.931 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1748641824 KRQSOROIOMFVAE-NYVOZVTQSA-N 449.621 1.596 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1748647239 LCJARPCTGWKKGQ-SNVBAGLBSA-N 429.269 1.885 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)cc1OC 1748669162 BFELORMDRRFLDG-QGZVFWFLSA-N 444.561 1.740 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1748745770 XCEGOAOLPWJUSV-MRXNPFEDSA-N 427.509 1.878 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(=O)OC)CC1 1748784929 VNFYQWVBRQXGSL-UHFFFAOYSA-N 449.515 1.740 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(CO)c2)CC1 1748977712 AFYQZSYWUZBCSY-QHCPKHFHSA-N 425.533 1.226 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCOC1 1749651918 BUYAMGGHIMSYQM-HNNXBMFYSA-N 447.565 1.074 30 10 IDEE Cc1cnc([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1751729645 BYQBGYHYWAEOGL-MRVWCRGKSA-N 439.567 1.186 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1760110568 FCZMOOQHSBWRPB-KRWDZBQOSA-N 449.559 1.761 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760140559 REUJSKSPMWMYBF-LJQANCHMSA-N 435.576 1.857 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760143408 FSRYVRJMKAWPHP-QGZVFWFLSA-N 438.536 1.325 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1760183798 TWEZHAMVKXTTCZ-OAHLLOKOSA-N 445.536 1.869 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CCC2)CC1 1760268992 USHOSJFOQJWIHC-UHFFFAOYSA-N 425.562 1.987 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1760553151 MWKQNJFRMPXEKS-UHFFFAOYSA-N 433.534 1.223 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1760688722 NFWZKXFZZQUQED-VYDXJSESSA-N 431.566 1.999 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOCc1ccccc1 1761477448 DZWODFARSWCCRN-INIZCTEOSA-N 432.550 1.845 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1763244624 HHZPPVKWZZDBMB-HNNXBMFYSA-N 432.575 1.794 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1764691064 UZWBWXKXUUHMDF-GOSISDBHSA-N 438.536 1.244 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1765281090 DDKYVESUCFPNPK-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1766927265 CJPKHOYFDWDQLZ-GCJKJVERSA-N 441.511 1.660 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC(F)F)CC1=O 1769076609 DMNUPYHWNNUKGN-UHFFFAOYSA-N 434.447 1.679 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1770646634 KUCVACILHWZMFO-XUSASHMSSA-N 430.509 1.170 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1772567162 QSAKRWLZLAGOGS-ROUUACIJSA-N 428.541 1.872 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 1851868883 JHCCNPRUZSKLJD-IBGZPJMESA-N 445.520 1.744 30 10 IDEE CCc1nc(N2CCN(C(=O)COc3c(C#N)cccc3OC)CC2)c2c(n1)c(C)nn2C 1852548305 MANXQJZBEXVOCL-UHFFFAOYSA-N 449.515 1.842 30 10 IDEE N#Cc1cc(Cl)c2nc(C(=O)NCCS(=O)(=O)N3CCc4ccccc4C3)cn2c1 1853105693 JVADJMDEARRBQT-UHFFFAOYSA-N 443.916 1.977 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C(=O)C12CCCCC2 1854502903 LWLGPDWFYOBDKC-QGZVFWFLSA-N 438.594 1.724 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H](CN(C)CCC#N)CC2=O)c1 1855746016 ROJLOTCROBPCGA-HKUYNNGSSA-N 432.546 1.369 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C(F)(F)F)nn2C 1864322793 UWEFWFXJSQUYQC-ZDUSSCGKSA-N 438.406 1.807 30 10 IDEE C=CCn1cc(OCCCO)c(=O)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1870357397 AHGJOEXOEPNKRB-UHFFFAOYSA-N 441.528 1.842 30 10 IDEE C[C@H](C#CC(=O)NCCn1cc(I)cn1)NC(=O)OC(C)(C)C 1902014025 LYUFSFXHCVAUMD-LLVKDONJSA-N 432.262 1.521 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2010398517 VIWAHYNZDSMJMX-CQSZACIVSA-N 426.319 1.993 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2cc(CO)oc2Br)CCN1Cc1ccccc1 2101587028 QWVKPASYKGHEIP-CQSZACIVSA-N 440.319 1.933 30 10 IDEE N#CC1(CS(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CCOCC1 2174787715 XEWWCNHYXNAOQT-GOSISDBHSA-N 437.518 1.264 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248401130 FUEYBJADMDYXID-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255628710 LTMCUDVBOZLOFT-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE C[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2255694083 LMBFSLZHTIVNBL-QWHCGFSZSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267094632 IOCZKURDLQDUBW-LSDHHAIUSA-N 448.329 1.169 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2COC[C@H]21 2267139708 KAHYIKBRKFFHCK-HUUCEWRRSA-N 448.329 1.169 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2267188034 GUWGSRUPIWFGRG-HUUCEWRRSA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)COC1 2267729180 GUUNFFDAEMDBKI-UHFFFAOYSA-N 448.325 1.715 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2327829856 NVIIFIWNJOTSQV-CYBMUJFWSA-N 445.505 1.760 30 10 IDEE Cn1nc(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2334270722 MEWXSDCOECMTKN-FMKPAKJESA-N 446.357 1.705 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2337179210 MYIHHUMDRDRDBE-CABCVRRESA-N 446.357 1.801 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2352398550 UIMWJRQRHAARDP-CYBMUJFWSA-N 449.361 1.632 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 438948151 MIEIRKPVMYKPSX-GBOPCIDUSA-N 446.403 1.691 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 443331426 VLJFKCAECRBADC-UHFFFAOYSA-N 428.489 1.309 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccco3)n2CC(=C)C)CC1 479912252 JPHZIGHZZNMPNJ-UHFFFAOYSA-N 444.561 1.653 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 502532831 UMQAPUOTGFKZJG-NRFANRHFSA-N 446.529 1.653 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C1 502676384 AZEABPLEQCFFGX-FAEJEUNOSA-N 435.550 1.709 30 10 IDEE C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=C/C(=N/OCC(=O)O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO 504679466 WXAWNCDYPXVODT-ZHPGFWAYSA-N 435.517 1.670 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1CS(N)(=O)=O 511100438 IKIBFOWRVGEQII-LBPRGKRZSA-N 446.323 1.378 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)n1 513103206 RXFGUQAAUVWDGA-UHFFFAOYSA-N 439.495 1.949 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 523858037 AMKFZEHEVZXHEJ-UHFFFAOYSA-N 449.492 1.896 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2)o1 548923375 DMKQHHOAKDIXOV-GOSISDBHSA-N 437.500 1.867 30 10 IDEE CC(C)[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nncn1C 553914835 ZSFVEQSBCIDDOU-QGZVFWFLSA-N 431.522 1.100 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1 555469733 QPKOTMNMEMGCSK-OAQYLSRUSA-N 449.559 1.810 30 10 IDEE CCOC(=O)c1sc([C@@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nc1C 582272071 BCZGOANGDMRQCR-GFCCVEGCSA-N 436.515 1.656 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)NC[C@H]3CCCO3)cc21 586315051 UYALXQFVIDUNLN-ZLAAAENGSA-N 434.514 1.213 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)c1 603787702 ZWJUTJRYCRPZHG-UHFFFAOYSA-N 435.480 1.828 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(Cc2ccccc2)c1=O 611078491 VSMRVHQBKKCDII-UHFFFAOYSA-N 435.553 1.450 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOc3cccc(F)c3C2)cc1 670231184 AABWFYGAIHWVTR-UHFFFAOYSA-N 447.488 1.992 30 10 IDEE N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=c1sc(=Cc2ccoc2)c(=O)n1C1CC1 727416727 ZTTGKAVNJIGYNC-UHFFFAOYSA-N 435.461 1.751 30 10 IDEE N#C[C@H](NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br)C1CC1 731203156 KYYYJPUUBQEOGV-LRDDRELGSA-N 442.335 1.938 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 732152418 BATKHVMFPHZVJL-UFVMTTLYSA-N 426.473 1.820 30 10 IDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C1 732152612 FAABYCSIIHYYFW-APFMSCDFSA-N 446.529 1.363 30 10 IDEE COC(=O)CCc1nnc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 742691986 ZRLVHRLGYQBZQD-SNVBAGLBSA-N 437.503 1.100 30 10 IDEE COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747495943 YXXQBACQAHRTNL-UHFFFAOYSA-N 431.470 1.242 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1Br 755072820 SPXGNRRSXWYQGC-JTQLQIEISA-N 426.741 1.914 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C[C@H]1CCCO1 758555093 OSMKRMXYCZUGAH-CQSZACIVSA-N 446.598 1.698 30 10 IDEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 762510520 LYFMIPPNZZIBNP-SFHVURJKSA-N 432.546 1.727 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cccnn2)C1=O 766418501 GMTLGMZDOSNWNQ-KRWDZBQOSA-N 430.509 1.815 30 10 IDEE Cc1sc2ncn(CCC(=O)NS(=O)(=O)c3cccc(F)c3C#N)c(=O)c2c1C 781595657 KBWICRHYZOSNQK-UHFFFAOYSA-N 434.474 1.981 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 784124279 JARNIQPFIMFMBR-KRWDZBQOSA-N 438.500 1.614 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n1 788811584 ZPFGQEOPMKZIEC-UHFFFAOYSA-N 447.561 1.318 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 789324887 WWMGILZMIZQRQF-LJQANCHMSA-N 425.533 1.829 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1C#N 793364549 WWKAJTPPAMDGFJ-RELWKKBWSA-N 433.515 1.875 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)NCC(=O)Nc2ccc(I)cc2)cc1 803490021 DXQDJBMWJNCENG-MRXNPFEDSA-N 435.221 1.951 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 812179066 ONOBVSGOPSBWNM-MRXNPFEDSA-N 434.541 1.864 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)CCc1ccccc1Br 812497475 BHIDUVBKFYNQSN-FOCLMDBBSA-N 428.308 1.437 30 10 IDEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1O 1084654659 ZJJUQJFXRZTFOC-UHFFFAOYSA-N 434.507 1.648 30 10 IDEE C#CCN(C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)[C@@H]1CCS(=O)(=O)C1 1125953578 HVNGTBCOKUWONO-DXIQSLLYSA-N 430.526 1.684 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)[C@H](C#N)C1 1233850830 DTPYXWAWFUSQIT-QZTJIDSGSA-N 439.516 1.942 30 10 IDEE CO[C@@]1(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCS(=O)(=O)C1 1251162477 NPXSSLNKIAZKHP-HXUWFJFHSA-N 434.518 1.122 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1286380630 CFEKKRHVVRNENO-DNVCBOLYSA-N 446.520 1.602 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286435429 APFHZTXSAMDGJN-HDICACEKSA-N 425.537 1.884 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1286450399 RFSJZLSEMUOYEP-OAHLLOKOSA-N 435.575 1.554 30 10 IDEE C#CCSCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1286513153 RKZVIKMIHUGQFD-GHTZIAJQSA-N 446.577 1.399 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)C(=O)NC 1286716639 JIIBMCWHIGFILE-UHFFFAOYSA-N 433.582 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1286815427 URTPZVIFDSZCBD-SFHVURJKSA-N 434.453 1.896 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1286831885 LHJOYYQVZUARIK-OWCLPIDISA-N 441.623 1.622 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2CCS(=O)(=O)CC2)CCOC1 1286962105 VEMDUMBYKGTNFS-OXJNMPFZSA-N 439.582 1.739 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1298098767 GQQLESNVVVKZQJ-MRXNPFEDSA-N 430.509 1.494 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 1298583757 FHMRKLRFLAZEKY-ASWLPBJDSA-N 435.424 1.185 30 10 IDEE COC1(C(F)(F)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1299739876 QYPWFJCEOZFXEO-KRWDZBQOSA-N 448.474 1.824 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1300488655 UHWOZSMQBPMGIF-NEWSRXKRSA-N 429.546 1.518 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccn1C(F)F 1300519776 BJUOUTHLRFLKDO-UHFFFAOYSA-N 434.414 1.634 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300603984 ZJPHUHSGCIHTFO-QFIPXVFZSA-N 446.573 1.983 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1300672984 DANQRDJUOQFSIZ-MRXNPFEDSA-N 437.591 1.545 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(O)(CCC)CCC)CC1 1300700822 XHSQVKUFIRYYKP-SFHVURJKSA-N 437.610 1.267 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)O)CC1 1300716072 IRFKPEDOVSUWCN-UHFFFAOYSA-N 449.353 1.772 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300762480 QLYSXESJQQOLJJ-OALUTQOASA-N 430.578 1.949 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1300991617 VXZKUKFFBJJDEE-MSOLQXFVSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301514278 IJAJZWSNNOZQOG-QZTJIDSGSA-N 438.532 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301577223 FZMTYKIJUIQCDU-INIZCTEOSA-N 440.591 1.724 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301612670 OUHWEWQRSLTFRT-OALUTQOASA-N 448.637 1.834 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1306498134 HPMZNKLRRSNUNE-SFHVURJKSA-N 433.520 1.879 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1318037099 LBGXFODILSTECG-QGZVFWFLSA-N 425.466 1.961 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1C#N 1341945649 RQMOFLVZDSRKFB-KRWDZBQOSA-N 431.470 1.695 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1358915703 MPXKIQWJAHFYAL-HNNXBMFYSA-N 435.575 1.696 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358959056 AUBVEGSMEDJFEC-VGOFRKELSA-N 446.573 1.987 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1358960340 CDABRZJODJKWLS-CABCVRRESA-N 443.558 1.622 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)C[C@@H](C)C1 1358985465 ZJANEFYNXLBZDB-AQNXPRMDSA-N 448.637 1.719 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCOCC1 1359022770 MIFOEWPAVDABJH-UHFFFAOYSA-N 447.543 1.702 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC=CO2)CC1 1359040082 HEVSXCJNGYOZTM-GOSISDBHSA-N 449.515 1.584 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1359070519 OJZAXJQDXOJYHF-GHTZIAJQSA-N 444.561 1.355 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359096774 GRPAIEMVRLCIFJ-GMLUQMLDSA-N 441.532 1.990 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1)C1CC1 1359246924 OYNSYTLYEYCLMW-OAHLLOKOSA-N 442.549 1.672 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359293826 BATZDYZJDLWHHR-OAHLLOKOSA-N 446.458 1.660 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)C(=O)C1 1359339872 SZWGBJYYWMTDBJ-UHFFFAOYSA-N 445.545 1.888 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 1359364801 DFEQVDIFYLDUGZ-MRXNPFEDSA-N 435.532 1.742 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1435459768 KQGMCYSNZYLPIW-JCECYMMASA-N 444.532 1.887 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 1455231741 VWGYMAMGSMQJHE-UHFFFAOYSA-N 434.562 1.097 30 10 IDEE C#CCOCCN(C)S(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1464863215 RHNWKGPPZMKFIM-UHFFFAOYSA-N 437.255 1.348 30 10 IDEE N#Cc1cc(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)ccc1N1CCC(O)CC1 1466018561 YQNBYYJUWRLMQL-HUUCEWRRSA-N 431.436 1.681 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 1470808774 KRYSPJRPSRZGOM-UHFFFAOYSA-N 426.813 1.742 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1C 1492391441 DUZNLXBXWZHAIX-GOSISDBHSA-N 445.545 1.780 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1505326091 NCSUNVRTZNISAZ-OWCLPIDISA-N 443.458 1.354 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1507588299 ITBLWUXBLYMGPQ-HNNXBMFYSA-N 431.509 1.506 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507629263 RUZPLLOWAVIDSV-INIZCTEOSA-N 433.534 1.245 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC2CC2)CC1 1507731987 HEISHEBCMPYGRQ-UHFFFAOYSA-N 426.496 1.278 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(CC)nn(C)c2OC)CC1 1507732059 SEAOZARRGCDWRF-QGZVFWFLSA-N 427.553 1.280 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1507798261 GTVRQTUJRSIZDH-LQWHRVPQSA-N 444.580 1.905 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1507845031 VPIZGKNCEURJIR-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507953187 DMQNCLCSUNTZQY-INIZCTEOSA-N 438.598 1.777 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@H]1C 1507998844 UCGSCMDWJNIPSR-NVVBAYIOSA-N 441.532 1.970 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1508059408 SZILIDZJUKIEPG-GOSISDBHSA-N 436.626 1.361 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508067801 QQFLRMZSORUNKN-JTSKRJEESA-N 432.569 1.294 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1508094611 PLEPSIJOCCRCDF-HNNXBMFYSA-N 446.939 1.775 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c1 1515986580 AXMREADKWKXQQF-HUUCEWRRSA-N 447.565 1.425 30 10 IDEE COCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)ccc1=O 1516307800 JIKWAOQURFHOPD-NKFKGCMQSA-N 447.517 1.345 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1516995966 QFVPIYVAKKCFDV-UHFFFAOYSA-N 434.479 1.766 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC#N)CC2)CC1=O 1519189897 BQSJZMFSZIMCAI-KRWDZBQOSA-N 426.525 1.304 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCC1 1519280811 FYANZQWCALHJCJ-OAHLLOKOSA-N 442.520 1.842 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(I)nn1C 1532869954 VGVATWWBBFPSFE-UHFFFAOYSA-N 442.217 1.564 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539216745 WQRFKUUQMMGVLB-QZTJIDSGSA-N 430.578 1.632 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539230888 QTXOFGOSSYBTPG-PMPSAXMXSA-N 447.586 1.552 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1539259287 CBBFANFNZLSPSV-XMMPIXPASA-N 446.511 1.553 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1540858769 DLTHASZXGDHHML-GOSISDBHSA-N 432.550 1.081 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1540902342 HMQLTDVFTFYDHA-UHFFFAOYSA-N 437.610 1.838 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCO[C@@H]2CCOC2)CCOC1 1541725173 DXPPIZRSDBFVLX-JRGCBEDISA-N 437.516 1.956 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)nc1 1546313357 AXWOXACUJQGWOF-QGZVFWFLSA-N 426.498 1.663 30 10 IDEE COc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1554835239 XOLHPWXZVKUQJY-UHFFFAOYSA-N 430.490 1.452 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1=O 1556749396 FXEZVQOVDLDCEK-CXAGYDPISA-N 427.436 1.218 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c1 1556990980 VKPNPNISJRAURR-UHFFFAOYSA-N 427.482 1.349 30 10 IDEE CN(C)C(=O)N(C)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1560033195 MISBXMIXNHARIO-UXHICEINSA-N 430.528 1.222 30 10 IDEE CN1CCN(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)CC1 1560078537 WCRWYBDTNNQVTI-FQEVSTJZSA-N 430.622 1.169 30 10 IDEE C=CCC1(O)CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1564703353 KYYYCEITUUODPE-IBGZPJMESA-N 433.524 1.956 30 10 IDEE C[C@@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1584320867 KYAOBJIVZLEADK-AWEZNQCLSA-N 439.476 1.545 30 10 IDEE Cc1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc(Br)c1C#N 1585589715 BPPTZPMTJNONFJ-UHFFFAOYSA-N 431.250 1.015 30 10 IDEE C#CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1587712033 KPDQBJKYPKRQCA-INIZCTEOSA-N 443.577 1.662 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1587909554 NMHHFPHWSNLXPQ-DLBZAZTESA-N 434.566 1.778 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(CO)c2)CC1 1588733037 KYIUFYWFDNVYGU-UHFFFAOYSA-N 431.500 1.221 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)CC1 1588742623 UAGSAAIVJRLPQJ-GJZGRUSLSA-N 430.525 1.079 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)CC1 1594237034 MCBRUSXLSZVRIG-MRXNPFEDSA-N 433.534 1.492 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1595506847 NXCWWJKGAJRTRW-LJQANCHMSA-N 431.884 1.327 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1595522263 AVMLWKBLDCDBNS-FUHWJXTLSA-N 441.536 1.010 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCC)c2)C1 1595715572 YMIFRYRRDUQHFP-RBUKOAKNSA-N 438.532 1.809 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595737430 AZMZVKFNUXTLIN-HKUYNNGSSA-N 446.577 1.327 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595824062 WFNXLQXSNXGAHO-MSOLQXFVSA-N 446.529 1.778 30 10 IDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1597108357 BMCDATRADBMWNV-NXHRZFHOSA-N 436.472 1.533 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1611618878 DZPLSKUQGQGDST-SFHVURJKSA-N 429.569 1.612 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1617969266 GPPMAOJKMPZDAO-UHFFFAOYSA-N 443.533 1.248 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCCO4)n3CCOCCCO)CCO2)c1 1620348910 BNPGCQRIXZSCKY-UXHICEINSA-N 427.505 1.978 30 10 IDEE Cc1cccc(Cc2cnc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)s2)c1 1620610918 GTDHSONBGZAINY-JXFKEZNVSA-N 430.555 1.851 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)s1 1624695830 KBAOVYTUHRTGEW-UHFFFAOYSA-N 437.996 1.388 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1626144305 ZMYWXGJKENHNBA-KRWDZBQOSA-N 427.567 1.710 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1627692107 GNGPCBBJLNZOFR-VQIMIIECSA-N 445.951 1.623 30 10 IDEE CC(C)(C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 1629994698 PLYSCDWHFVHMRO-UHFFFAOYSA-N 440.569 1.959 30 10 IDEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1635222954 HVKMZKWYDBAHSL-UHFFFAOYSA-N 438.550 1.829 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)s1 1636242498 PXIFTTKOMJUEKL-HNNXBMFYSA-N 448.526 1.655 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1637389989 OTRAGVDYHYTBIJ-MRXNPFEDSA-N 438.322 1.720 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c(=O)c1C#N 1638640547 QOGJBJMFIOESCE-UHFFFAOYSA-N 438.282 1.280 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@]4(C(=O)OC)CCOC4)CC3)n[nH]2)c1C 1641761019 UMRKXRJDMQRAOT-JOCHJYFZSA-N 442.520 1.166 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)CC1 1643372214 BEDQWEJWKNZYPQ-UHFFFAOYSA-N 435.452 1.983 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCn3cc(-c4ccccc4)nn3)C2=O)cc1 1648887863 HKCIGNSXQDNYLF-LJQANCHMSA-N 443.467 1.838 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCCc2ccccn2)n1Cc1ccc(C#N)o1 1649549756 KXEHSVHTOMRBSI-OAHLLOKOSA-N 443.533 1.865 30 10 IDEE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653760408 WLXBSNQUPRQWEQ-UHFFFAOYSA-N 442.838 1.863 30 10 IDEE Cc1ccc(O[C@H](C)C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(Cl)c1 1655176345 HZJUTSHYWUUKCJ-CQSZACIVSA-N 445.907 1.034 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)n(Cc2ccco2)c1C 1656388104 DNMLYZZVGYYMKD-HRAATJIYSA-N 430.530 1.923 30 10 IDEE C#CC1(O)CCN(C(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)CC1 1676883899 UCCATDZYRNUJPP-UHFFFAOYSA-N 434.581 1.433 30 10 IDEE C#C[C@@H]1COCCN1C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1687187550 ANLBNABUCBFIPN-GOSISDBHSA-N 440.504 1.836 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1689841906 QCQGJDUSTSSTRA-NVXWUHKLSA-N 445.545 1.598 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCS(C)(=O)=O)c1 1689870246 HMLYSJMMCCMZHC-UHFFFAOYSA-N 426.502 1.374 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690038206 HLLSNJHEGPYBHW-JOCHJYFZSA-N 426.542 1.520 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690042132 VTIBKHMQQVTDIC-UYAOXDASSA-N 440.573 1.940 30 10 IDEE C#CCSCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@@]1(OCC)CCOC1 1690185748 GCURYQWHMQAZSM-OXJNMPFZSA-N 431.566 1.767 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690236336 LKQXYYXXZSDMEO-QRQLOZEOSA-N 443.552 1.709 30 10 IDEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCNS(C)(=O)=O)CC1 1690378717 BKYOJAGWHYHEIY-UHFFFAOYSA-N 429.550 1.612 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1690622370 NTPMHIDGCODQLN-QGZVFWFLSA-N 448.545 1.639 30 10 IDEE C=CCn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1690653610 YMVRAPLYEVVYIS-QFIPXVFZSA-N 443.552 1.496 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1690672625 XZMYNQMGCOBRDR-CVEARBPZSA-N 428.541 1.283 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1690942149 GIMGPLFOZSCQSH-SFHVURJKSA-N 449.519 1.258 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1695036615 BTKVUCBZKDKOKM-GHTZIAJQSA-N 446.577 1.886 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1705495774 VHRJZAWEXUUBAV-APWZRJJASA-N 447.561 1.264 30 10 IDEE C#CCN(c1nnc(C)n1CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705559936 BZLRRRPDPAKXFR-QGZVFWFLSA-N 437.566 1.613 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1705580836 OVJYJMVZRSZFKU-UHFFFAOYSA-N 445.527 1.778 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C)on2)CC1 1705644139 HGFTZLPSJXNHAM-UHFFFAOYSA-N 441.536 1.507 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCCCC2)CC1 1705645367 RMJDMNPEERBISV-SFHVURJKSA-N 447.580 1.663 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1705728557 OGUPGTGCVDMUSY-PXNSSMCTSA-N 439.582 1.511 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1705805544 JNHHOOAUJQUUOG-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1705864336 YGNCVWDUFVURBB-UONOGXRCSA-N 438.579 1.421 30 10 IDEE Cc1cccc(CN2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 1707617650 YCYQYMLRKOVQRH-DQRAZIAOSA-N 435.532 1.744 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709833100 DYWURAXMGZEWBD-CQSZACIVSA-N 425.493 1.233 30 10 IDEE CCSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1710964494 WLYMVTZXBZCTHL-WBVHZDCISA-N 438.623 1.500 30 10 IDEE COC[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712268601 RGDCOYSXNLGAJK-HYLQGWQCSA-N 430.509 1.171 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1712710714 OWIYQVRSEPKFBW-UHFFFAOYSA-N 444.561 1.763 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1722278514 MMKQFJMWWMYRCP-CQSZACIVSA-N 431.566 1.529 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2snnc2C)CC1 1722440941 MCHZLQLZLWTWPK-UHFFFAOYSA-N 442.574 1.233 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC(C)CC2)CC1 1722447619 NJKRYZCKYHPGNJ-OAQYLSRUSA-N 442.608 1.870 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1722701618 XMEAAANXHZIDOQ-UHFFFAOYSA-N 438.532 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722728772 BAKVFLRZSYPCIW-MSOLQXFVSA-N 432.594 1.784 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722730164 KJZKCYXSQOPEQZ-OAHLLOKOSA-N 444.604 1.155 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(F)cn1 1729068650 AOZIQIRWYZNVNS-OAHLLOKOSA-N 437.483 1.774 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H](C)C1 1730763114 CNHQHWXWRDSION-BRWVUGGUSA-N 425.555 1.362 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCCO)CCN1C1CC1 1731188444 FSKOPLZDNXKPOX-QGZVFWFLSA-N 431.928 1.569 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCC(=O)N2)c1 1740562329 ISQMIMSJUVNTSO-QGZVFWFLSA-N 430.472 1.070 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740625474 FVOLSGFCEGTPIX-XUVXKRRUSA-N 449.621 1.531 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H](C)N(C)C)CC1 1740700106 GEYOYTZTQHZCMK-LJQANCHMSA-N 426.565 1.961 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740711672 QVRUKJDORSEBQC-INIZCTEOSA-N 428.474 1.861 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC 1740727787 ZUQCJRXVXCPUQK-OAQYLSRUSA-N 439.545 1.877 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1 1740766286 FNSAUSASAQIOSH-QAPCUYQASA-N 430.644 1.728 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740963577 OTHBQUATTOAGFO-SFHVURJKSA-N 442.568 1.327 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1741002732 LPKMHHIXSDNTRM-IAGOWNOFSA-N 441.623 1.767 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)C(F)(F)F 1741924248 UWUVTILBZQXZBD-HZMBPMFUSA-N 426.440 1.919 30 10 IDEE CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1745676743 DKANNDNYDZRESQ-WMZOPIPTSA-N 428.541 1.652 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1747442266 ACHIGJZGCSEHOZ-MRXNPFEDSA-N 441.517 1.161 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1748809177 KETBXBHJXQOYIF-CABCVRRESA-N 447.948 1.504 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748818859 HICKZBXFJMSWHB-WMZOPIPTSA-N 433.553 1.585 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748823735 AROYRUQIQZEPCT-GBESFXJTSA-N 435.594 1.488 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1748913747 ZLHPFPUCCIRBCE-QHCPKHFHSA-N 432.613 1.804 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1748948283 KURQOZZATQHGDT-UHFFFAOYSA-N 445.545 1.052 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1749009881 MHVSNTSVTZSZRG-WOJBJXKFSA-N 430.597 1.724 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749043571 GRPZAQPTHDWEOK-ICSRJNTNSA-N 426.590 1.787 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749043705 JBWYTFYNDGJRCW-NRFANRHFSA-N 446.665 1.828 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1749116077 ZNHRZGOTZFBCBD-MJGOQNOKSA-N 430.553 1.600 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1749230203 UZVFIAFBUJEYIA-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCOCC2)CC1 1749303367 JEBNEAJFZYOAQI-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CC(F)(F)F)CC1 1749464749 CZPDVSKROTYGPO-CYBMUJFWSA-N 438.520 1.785 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1749599315 BQEKPCMDMBHZNW-KRWDZBQOSA-N 434.566 1.328 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccnc2C)C1 1749697978 PDUKICLHHOQHSZ-JKSUJKDBSA-N 435.554 1.011 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)N(C)C)c1 1749828430 BMQJILRUWAECIX-UHFFFAOYSA-N 434.504 1.852 30 10 IDEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)cn1 1749856205 FIASCSGLGDCZJL-IBGZPJMESA-N 437.504 1.845 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCOC3)n1CC(=O)NCC(F)F)C2 1750382871 YURVVVQFIQQDLC-GFCCVEGCSA-N 447.446 1.088 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1750948074 DBDJDJPMTDIAQD-QYWGDWMGSA-N 435.548 1.746 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1760098430 SJNFYVRUWPAMDG-IAGOWNOFSA-N 441.561 1.639 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C(N)=O)CC1 1760147185 KARJAXPTJGGTHA-UHFFFAOYSA-N 444.561 1.311 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)N(C)C 1760162781 GLROCEBEBVSQMV-CRAIPNDOSA-N 434.566 1.269 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760218202 AJJLKSSRMHMZEP-UXHICEINSA-N 426.565 1.188 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(SC)CCN(C)CC2)CC1 1760257591 ACXNEAYQSJDTGU-UHFFFAOYSA-N 428.610 1.261 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCn2ccnc2C)CC1 1760270412 XBPZQAPMUDDXRX-LJQANCHMSA-N 425.537 1.343 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1760284045 FCFNAKCQOIDCFE-INIZCTEOSA-N 446.602 1.157 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1760316448 SDEVSZVSVVVIDO-PDOICOKGSA-N 436.582 2.000 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760351251 FNZDLOPLNZYPTF-GOSISDBHSA-N 441.536 1.871 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCC(C)CC2)CC1 1760521519 VORYJZVJGHLSDD-DAWZGUTISA-N 429.569 1.232 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760552637 VSXDUXDJUHISSL-GOSISDBHSA-N 446.577 1.099 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760565898 HFHWFVLFFMGVAM-JKSUJKDBSA-N 436.607 1.827 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760566277 QBWYQVCVJQBEEX-OLZOCXBDSA-N 440.513 1.867 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCc2nccn2C1 1761479417 ORKFDZMJWNIKLK-HOTGVXAUSA-N 446.581 1.477 30 10 IDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1765044405 GVVYPUAAHAOIMH-SJTPKYKMSA-N 441.536 1.665 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1768275140 JRELFQNYUQSFLM-UHFFFAOYSA-N 441.517 1.761 30 10 IDEE COc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1768951033 AVBXOUNGIVGKJO-MAUKXSAKSA-N 448.549 1.406 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1OC 1770086041 APPWFWONHCKATE-IUSZMWJPSA-N 429.477 1.231 30 10 IDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1770648776 NHNZFZUZFIBNQV-VLIAUNLRSA-N 435.504 1.869 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@]2(O)CCSC2)cc1 1770732601 DQPIVILIITVILB-NRFANRHFSA-N 442.545 1.155 30 10 IDEE C=CCN(C(=O)Cn1ncn2nc(-c3cc(C)ccc3C)cc2c1=O)[C@H]1CCN(C)C1=O 1852009588 VEFGJMFXQYQFKX-IBGZPJMESA-N 434.500 1.420 30 10 IDEE NS(=O)(=O)N1CCC[C@H](C(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)C1 1852063954 WVCVDWQCWNASRU-JTQLQIEISA-N 425.816 1.564 30 10 IDEE C=CCOC(=O)[C@H](NC(=O)[C@@H]1CN(C)C=N1)c1ccccc1I 1852304791 WYJZVFZNKIYOQL-UONOGXRCSA-N 427.242 1.520 30 10 IDEE C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC 1852798624 DYEAPBRBPYBAOZ-QGZVFWFLSA-N 436.578 1.987 30 10 IDEE CC(C)N1CCN(C(=O)[C@@H]2CCCN2C(=O)CCON=C(N)c2ccc(Cl)cc2)CC1 1853603207 COQLFYQVACCWTC-IBGZPJMESA-N 449.983 1.911 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)CC1=O 1855753803 MLWLXBJCKDNCLU-QZTJIDSGSA-N 425.595 1.996 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccccc3OC)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600506 LYGGAGSBUFOAOK-UHFFFAOYSA-N 437.500 1.196 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnn4c3CCCC4)CC2)CC1 1889281479 JBIFERHJZXRXFS-UHFFFAOYSA-N 427.593 1.870 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1891432158 UWPXGQNLPPZXRG-INIZCTEOSA-N 434.452 1.615 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 1902436983 XJXDQOUWLQQHDS-OALUTQOASA-N 436.574 1.953 30 10 IDEE CN(C1CCC1)[C@H]1C[C@H]2C(=O)NC3(CCN(Cc4cccc(C#N)c4)CC3)CC(=O)N2C1 2080414404 TXORTOVEEFVYJL-VXKWHMMOSA-N 435.572 1.867 30 10 IDEE C[C@@H](c1nscc1C#CCO)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130026828 SDFONHOSYPPJRC-ZDUSSCGKSA-N 433.511 1.106 30 10 IDEE N#Cc1cc(F)c(N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)cc1Br 2174810511 NHBIQVJMOMFVDV-IUCAKERBSA-N 437.191 1.819 30 10 IDEE CC(C)(C)OC(=O)N(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2255652148 QBPBEWJGSDXOCV-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1NC(=O)OC(C)(C)C 2255694506 ONNQFCYUHUIKIT-CHWSQXEVSA-N 435.334 1.100 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255842791 XNZXZHSOBSBKNU-LLVKDONJSA-N 447.288 1.973 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2267010333 SQUSWWDTEOCTMR-UHFFFAOYSA-N 442.243 1.745 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2267263935 LMERJDIGGYNMMN-ZIAGYGMSSA-N 449.361 1.538 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2267265003 ZDRSHLBNGWTEGC-WBVHZDCISA-N 449.357 1.424 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1O 2267290856 IQNATKYXSXPZSW-YSVLISHTSA-N 449.357 1.708 30 10 IDEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267514556 AWKIORJCOSRZRF-KBPBESRZSA-N 446.357 1.657 30 10 IDEE Cc1c(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267528991 IJEIFOOZSWYSNB-UHFFFAOYSA-N 446.357 1.721 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267537508 IEHYANXHOHXDBG-RTBURBONSA-N 436.365 1.923 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267542580 UBOWZZOSIJFSHO-MELADBBJSA-N 447.345 1.100 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2267604250 FECKZSNVZWQIQW-ZDUSSCGKSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2312856694 LCQGUIYYBQGAGM-VHDGCEQUSA-N 432.330 1.837 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2334270183 LUDJNICJAPHJKD-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)[nH]1 2337026881 XEVDJHQJOGVSJH-UHFFFAOYSA-N 446.357 1.245 30 10 IDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCCc3ccc(F)cc3)n2N)cn1 20920710 YFJIDYCKXIQAJM-NUGSKGIGSA-N 445.528 1.805 30 10 IDEE CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3cc(OC)cc(OC)c3)n[nH]2)cn1 59311879 IRHGQEATABEMHQ-ZVBGSRNCSA-N 444.521 1.893 30 10 IDEE C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCCOC)C2=O 96281945 XOOBDSCAZHBSKH-IBGZPJMESA-N 432.908 1.841 30 10 IDEE N#Cc1ccc(C2(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1 435937513 OQVMHVKMEHXICI-UHFFFAOYSA-N 431.539 1.989 30 10 IDEE Cc1cccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C#N 443090275 RISJOBLPVZNNAQ-UHFFFAOYSA-N 441.556 1.428 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 462093280 SFZBPGYZHHKZNH-UHFFFAOYSA-N 439.501 1.890 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)CC2)c1C#N 471866368 STTHLDANYGLLHG-UHFFFAOYSA-N 435.532 1.737 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCCOCC 478752240 CQJMSINHMZIYEJ-UHFFFAOYSA-N 443.544 1.843 30 10 IDEE CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)n1 480714999 IBIVBXBDOZFYHB-AWEZNQCLSA-N 437.497 1.825 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 489236768 LUKFIGUFLGZHCG-DNVCBOLYSA-N 431.555 1.147 30 10 IDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn2)C[C@@H](C)O1 503398638 RKCTZPIYXYPUCO-PZPWOCDFSA-N 433.509 1.719 30 10 IDEE COc1ccccc1-c1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C 508613130 XVTDHJOQECWVQY-UHFFFAOYSA-N 438.513 1.873 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 518068317 LCFOZFKRBXZMJY-HNNXBMFYSA-N 447.507 1.786 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccccc1 527028178 USBLOPBWEIDXEZ-LJQANCHMSA-N 431.517 1.852 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)C1=O 544598014 QEBLUIXLZTYWTI-MRXNPFEDSA-N 427.592 1.860 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2Cc2ccccc2)C1 566711527 FVNWDUZSZDGOMD-IBGZPJMESA-N 444.561 1.789 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC2CCN(c3ccccc3)CC2)CC1 585775908 DFIQBHFNLIQTCI-UHFFFAOYSA-N 448.527 1.857 30 10 IDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 619833813 GIGXQAIOEPHDQI-MRXNPFEDSA-N 425.449 1.902 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669810673 VYRZSBQMAKGAHT-QFBILLFUSA-N 431.585 1.371 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(C)ccc1C 727414909 DRDCRMNXHFCGHI-UHFFFAOYSA-N 437.521 1.765 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 749550956 MFWPEUMOGOUDRJ-RVZGQZMKSA-N 434.452 1.649 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)CCN3CCCS3(=O)=O)nc12 751933678 BBXUBEQIHOPWRI-UHFFFAOYSA-N 448.574 1.291 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC(OCCCO)CC2)cc1 757202504 UVJHSUUPPCIVCA-QOCHGBHMSA-N 438.550 1.895 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 763433841 FQAZTYWCBRMEGW-KRWDZBQOSA-N 449.532 1.822 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cn1 763712157 LZEWMXUYAQTFFM-JOCHJYFZSA-N 427.424 1.471 30 10 IDEE COC(=O)N1CCC[C@H]([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 775819086 ZWVSKWPNGQJKJH-SQNIBIBYSA-N 433.578 1.913 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 777751296 CMIMBBZYSKTQPD-CJNGLKHVSA-N 427.885 1.416 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(Br)c1 795188889 ZMKLJYQFHZORHQ-HNNXBMFYSA-N 446.326 1.887 30 10 IDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 802493059 BTTGXGRMOHKUIW-UHFFFAOYSA-N 434.504 1.897 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N[C@H]3CCOC3)cc2C1=O 804633899 BOSDEPCOZAMENF-DLBZAZTESA-N 441.484 1.978 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1F 805776174 PCUUADQDGYDEMH-QGZVFWFLSA-N 444.916 1.058 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 806125104 BCEQQFDIDMBDIP-CYBMUJFWSA-N 444.453 1.130 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 914961892 FRYHWQRKCNOHIJ-XYEKJYRLSA-N 427.548 1.801 30 10 IDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1 1083989152 ZCKFLPYGJAZOHV-UHFFFAOYSA-N 434.507 1.648 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H]4CCC[C@H](C3)C4O)nnc12 1116307517 UUYSBRVWBZBELM-RTHVDDQRSA-N 439.541 1.942 30 10 IDEE Cn1c(=O)c2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2n(C)c1=O 1133917982 AKZZXEKAELPEPK-UHFFFAOYSA-N 433.468 1.903 30 10 IDEE N#C[C@@]12CN(C(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1134053502 XXUCRHXSTCYPOI-WDSOQIARSA-N 441.475 1.838 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCC1CCN(CC#N)CC1 1146579151 JZOXIGSMACKFSK-SYAUCNOPSA-N 426.439 1.324 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1151954073 WXTGCZFUKLDXSV-UHFFFAOYSA-N 435.546 1.395 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 1163021376 OROJBHIMJUBXAX-SCWSEQNSSA-N 426.542 1.687 30 10 IDEE CC(=O)N1CCN(c2cccc(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C)C1=O 1219060902 FKQYSLIOXKQMCT-YWZLYKJASA-N 445.501 1.186 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1286298251 HNOGNKKNOQPCSO-GJZGRUSLSA-N 435.550 1.990 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1286386853 IMVOROAIAAREFG-NSHDSACASA-N 448.293 1.888 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nncn2C)CC1 1286470465 ZRQDHYRDOABJKR-UHFFFAOYSA-N 433.520 1.079 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286523300 YBFAHIJMELMRKY-ZRGWGRIASA-N 440.470 1.484 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1286787629 XSQNGRVWVSXCJI-MRXNPFEDSA-N 426.525 1.170 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1286818943 UMAYZUPZPGPCSK-IRXDYDNUSA-N 434.566 1.976 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1287088086 DZAMUTLQZFBSOD-BRWVUGGUSA-N 430.553 1.971 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1298094453 BTNPMUXJPOKEBL-SFTDATJTSA-N 440.548 1.810 30 10 IDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(Br)cc1 1298540518 ZRIKRACDUWNGBS-AWEZNQCLSA-N 425.308 1.260 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1298582667 BPFZSSYBGRVRQB-ISLYRVAYSA-N 446.552 1.937 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@@H]2C1 1299698605 XOORKXVMFDMZFT-SJLPKXTDSA-N 448.545 1.960 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1300310056 WHVFCSYLBLNXLN-YJBOKZPZSA-N 429.546 1.839 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1300458243 FWDSUHOWAXSMMJ-HNNXBMFYSA-N 425.514 1.855 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300487005 DDWSWHMTEPDPEO-QGZVFWFLSA-N 440.529 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301593485 OFWXABQLPJYCRG-UHFFFAOYSA-N 449.581 1.149 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1301611282 ARQYOFZLBZYONA-JYJNAYRXSA-N 429.612 1.622 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1301952746 NLLQCDYMIHRHBB-CVEARBPZSA-N 445.593 1.915 30 10 IDEE Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304813842 PSERUVVDRFLIOI-SGRLSNSRSA-N 449.515 1.602 30 10 IDEE COCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1315843819 HCHMXOJUXMZPAL-KRWDZBQOSA-N 445.545 1.894 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1358927265 SEEGSXPAXBPNHF-SFHVURJKSA-N 436.564 1.718 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1358994691 UHBWYARJAXYXMD-KRWDZBQOSA-N 429.571 1.808 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@@H]2CCOC2)cn1 1359015462 UMBPDACCOXQXKW-HBFSDRIKSA-N 428.537 1.862 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCC(=O)N(C)C 1359025425 NMGDROGPUJKEAD-LJQANCHMSA-N 427.505 1.745 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1359148868 GCGSPKPRWWTYSC-ZDUSSCGKSA-N 427.896 1.646 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OCC(N)=O)CC1 1359287425 CHHBKAHTTQYECK-UHFFFAOYSA-N 426.525 1.109 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(=O)NC)C1 1359312097 NNBFUBUELGAINK-OAHLLOKOSA-N 427.509 1.479 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1360618324 CBAGVGPUBBIXGT-OAHLLOKOSA-N 446.533 1.528 30 10 IDEE C#CCN(C(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCS(=O)(=O)C1 1442017104 ISOMUPRGGZMVSC-FOIQADDNSA-N 439.534 1.181 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3cc(F)c(C#N)c(F)c3)cc2)[nH]1 1448189737 VOEMZCKFOWJIMP-UHFFFAOYSA-N 426.379 1.961 30 10 IDEE C=CCCC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)OC 1455833643 GHTDYMVJRGNMBS-AWEZNQCLSA-N 430.548 1.521 30 10 IDEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1456612987 LHEGOQUDAFOGHE-LAUBAEHRSA-N 433.530 1.764 30 10 IDEE C[C@@](O)(CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C(F)(F)C(F)(F)F 1459979026 DADMFPCSFRHSKN-SECBINFHSA-N 437.353 1.386 30 10 IDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C1CCOCC1 1461714204 QUXSESCOCYGCDN-INIZCTEOSA-N 425.938 1.680 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NCC1(C#N)CCOCC1 1464797016 FNVOVHHVCWSNPY-UHFFFAOYSA-N 441.575 1.768 30 10 IDEE Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1469729341 KYAAJZLUUMOFLM-QTTDFFODSA-N 444.536 1.703 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN(C(=O)NCCn3cnc(C#N)n3)CC2)CO1 1470101935 FRKQVWSNQMFWAP-HNNXBMFYSA-N 433.513 1.255 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1471528142 GKXVBLRLIMWSBW-IRXDYDNUSA-N 427.567 1.998 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)c1 1472307900 FSZSLGHORVCQDQ-UHFFFAOYSA-N 434.539 1.494 30 10 IDEE C#Cc1ccc(NC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1477192018 GRLMWTWQZFPRBU-UHFFFAOYSA-N 448.545 1.767 30 10 IDEE COCCOC1(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOCC1 1505006886 AZDGCMSJMNDOOW-UHFFFAOYSA-N 428.493 1.334 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1505325254 SCTCSCRZJQAUMI-QGZVFWFLSA-N 437.566 1.242 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1507622772 LRSMQBRGWARDKH-INIZCTEOSA-N 430.578 1.712 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](COC)OC)CC1 1507718933 WXXVPGFYCYYIPX-HXUWFJFHSA-N 429.521 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1507737790 FIERCDPMUKJUFU-UYAOXDASSA-N 435.532 1.682 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507750408 UDVGUVTUMNGKBW-UHFFFAOYSA-N 428.566 1.383 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507856024 CYNHTBPUJBJVSD-CQSZACIVSA-N 444.966 1.724 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1508075876 XWFWOCXNMCVMPF-OAHLLOKOSA-N 437.508 1.227 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1508085288 SQXHDKGSTFJTMW-LJQANCHMSA-N 444.605 1.781 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 1508089439 XHJWBFAYGWEACW-DOTOQJQBSA-N 426.521 1.607 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1508140240 GZOSCTATYADVLI-UHFFFAOYSA-N 435.529 1.402 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1517721671 PWHJYRPMCFDGGO-UHFFFAOYSA-N 438.488 1.964 30 10 IDEE N#Cc1c(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)nc2n1CCOC2 1537679809 NVXCYVLVMDHJNL-UHFFFAOYSA-N 439.291 1.601 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1539011436 BSIZEQKDFOGALO-HRCADAONSA-N 443.639 1.847 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539206784 VYEJABYAYYPQIE-VQTJNVASSA-N 437.610 1.350 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539225027 LHJHBXGWSRZQHD-QGZVFWFLSA-N 445.574 1.042 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539332118 GFTCNSZACBUWBB-LJQANCHMSA-N 426.546 1.008 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1539416737 SWRKDQJOEQXWJJ-FQEVSTJZSA-N 425.533 1.753 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCN2CCCO)CC1 1539468954 KNFPLQSVUGLFPV-ICSRJNTNSA-N 430.597 1.604 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1539751828 VVRZUBWWBMJBTR-KRWDZBQOSA-N 425.555 1.360 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(CC)S(C)(=O)=O)CC1 1539849653 ZQVLDBNPRLTGGN-MRXNPFEDSA-N 445.611 1.008 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1540591040 KKNUPIBZXOKLFQ-JOCHJYFZSA-N 445.520 1.834 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540874508 IUTMDQZGMGMUPP-INIZCTEOSA-N 433.534 1.091 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)NC)CC1 1540874869 UPBDBYGVLYCBNH-UHFFFAOYSA-N 426.521 1.430 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1545129037 DEJYDRYTSYJKND-HMWBCQRISA-N 427.534 1.752 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1555816543 PTLFOFMMTFHHCW-OALUTQOASA-N 444.561 1.619 30 10 IDEE CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555930365 SBCXHBLWIZQWRQ-UHFFFAOYSA-N 440.577 1.860 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)O1 1564546870 BFWCGMCWNGXWPV-DOIPELPJSA-N 442.516 1.658 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@@H](C)C1 1595488776 AUWFXMPIEDGVEX-ZDUSSCGKSA-N 437.342 1.964 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)C1 1595721988 IFBKYIKUUJPDSW-XHSDSOJGSA-N 444.648 1.810 30 10 IDEE CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1602883670 KPGDEMHCBSMGCV-RWNPKEDZSA-N 443.552 1.086 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1C[C@H]1C 1611706917 HUKCKXHSKQXBNF-HLLBOEOZSA-N 444.565 1.138 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(c4cc(C#N)ncn4)CC[C@@H]32)CC1 1612487497 HAGVNXZBQBLCDD-SJORKVTESA-N 427.509 1.720 30 10 IDEE C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1618518684 CZBBHNOATOLSQA-BPVGTKOISA-N 432.274 1.681 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)C1=O 1618560607 MADHVQGIKIQSJQ-YCRPNKLZSA-N 432.525 1.865 30 10 IDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1631627424 CLFDRRUDKOTTGF-LSDHHAIUSA-N 442.394 1.161 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 1631845120 LPGZZUOYHBJFLR-IRXDYDNUSA-N 437.537 1.553 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)[C@H](C#N)C1 1635213637 HRXNUJXONXWWMG-CYBMUJFWSA-N 440.547 1.398 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCc3cncc(C#N)c3)CS(=O)(=O)[C@H]2C1 1635329215 QFXWNFZOMBVEBG-BBWFWOEESA-N 434.518 1.240 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1635733875 SJXLCYZOKQVKMN-LJQANCHMSA-N 449.596 1.442 30 10 IDEE C#CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)cn1 1635750050 XAPJDEZFNLYAQW-INIZCTEOSA-N 431.474 1.142 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1636288100 DSCUEIRAWYJVTE-HXUWFJFHSA-N 427.482 1.639 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 1637076547 JTSAOFHWPKDMSK-DOMZBBRYSA-N 426.267 1.265 30 10 IDEE C#Cc1cccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)c1 1638020718 WBRSNYLNGOSSQU-IBGZPJMESA-N 428.510 1.526 30 10 IDEE C=CCOC[C@H](NC(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC 1639559044 SKVUCGVMBXDBRS-YWZLYKJASA-N 425.482 1.393 30 10 IDEE CNC(=O)[C@@H](CNC(=O)COc1ccc(C#N)cc1OC)Cc1ccc(OC)c(F)c1 1639930201 QVLWWCRIYLXAPF-MRXNPFEDSA-N 429.448 1.814 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCN2CC3(CCOCC3)C2)s1 1643101692 TUSMWZXMFICRTO-UHFFFAOYSA-N 427.592 1.326 30 10 IDEE Cn1cnnc1[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1643830282 ICYNSXAZVZXXSH-HNNXBMFYSA-N 430.534 1.430 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H](O)C1 1643930635 FMIYCBLTDCOZSS-HZPDHXFCSA-N 441.481 1.223 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](NC(=O)NC)C1 1645203595 FEEYAUGDXFOHON-ZBFHGGJFSA-N 435.550 1.204 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC12COC2 1651416821 IHGUSHZDQLGZTD-MRXNPFEDSA-N 448.317 1.795 30 10 IDEE N#Cc1cccc(C2(NCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CCOCC2)c1 1655102362 ZIKCSFRWSIXGGK-UHFFFAOYSA-N 440.525 1.390 30 10 IDEE C=CC[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1657637845 RJEIYWKJYNGXDA-GOEBONIOSA-N 427.548 1.582 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)F)c3cccnc23)CC1 1668920173 MIIWDBXDDIFBRE-UHFFFAOYSA-N 439.444 1.453 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1689961030 IKVBRWKYIHVCNM-UHFFFAOYSA-N 428.518 1.179 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1689988163 KKQBARIYHWRXEY-IBGZPJMESA-N 440.573 1.537 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689992485 LFYNSKKWQBCFKG-NQIIRXRSSA-N 429.546 1.052 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCSC1 1690104273 RNGBKHFNMIJIKO-GHTZIAJQSA-N 430.530 1.745 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1690526888 FOIVBOJUYNUXBU-HNNXBMFYSA-N 425.580 1.846 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1690622547 RTKXVOWBJFTXHL-QGZVFWFLSA-N 433.534 1.320 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690658893 CUCYWFNOYCCHFY-AOIWGVFYSA-N 431.585 1.083 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1690749906 ULEZWODOWOYMKB-UHFFFAOYSA-N 441.604 1.424 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1691003611 JLSDTSMPHWXMOR-RYUDHWBXSA-N 441.451 1.693 30 10 IDEE CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1692461970 NCOOYWIFHWWJHJ-SFHVURJKSA-N 439.520 1.825 30 10 IDEE CCOCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1696401200 JCRHQRJEJBZIPC-KRWDZBQOSA-N 440.570 1.168 30 10 IDEE COC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697095940 VMVOZTMDOGWETC-UHFFFAOYSA-N 425.493 1.474 30 10 IDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 1697443570 CDOODWZUEOBPDD-SFHVURJKSA-N 438.513 1.892 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705571200 WPKIDARJLALHJB-VQIMIIECSA-N 433.553 1.585 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCC[C@H]2C)CC1 1705648738 XKBNIMYPBKBHER-QUCCMNQESA-N 428.581 1.970 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705658552 SWXUPBQURNYJSW-QGZVFWFLSA-N 440.577 1.684 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC2CC2)CC1 1705769045 HLCUBKSKZNUZRQ-GOSISDBHSA-N 439.582 1.584 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C)C1CC1 1705855011 UATGABLPDLSHRV-MRXNPFEDSA-N 427.571 1.581 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1705932689 IOKQACYVMUDNCJ-UHFFFAOYSA-N 438.575 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705937385 RZKZTIXQWQBMLP-OAHLLOKOSA-N 445.467 1.632 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708493632 VISRSNMNSNVFKI-YSRXLGAZSA-N 443.552 1.671 30 10 IDEE CN(C)C(=O)CCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1710977333 BPSDBIDDLTYEQR-CQSZACIVSA-N 436.476 1.191 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)c1cc[nH]n1 1722290036 URFMNEKPEJRRCX-INIZCTEOSA-N 429.488 1.742 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1722359253 RDYAZWHXMRISGT-MRXNPFEDSA-N 435.575 1.461 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@@]2(O)CCO[C@H]2C)n1 1722429303 JXZOBTNRMNPTDK-MBSDFSHPSA-N 442.564 1.958 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722725814 SSWNNACOGXEZGC-QGZVFWFLSA-N 447.561 1.715 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C2CCCC2)CCOC1 1723692486 OYKSSZSSLKFYMG-KNQAVFIVSA-N 432.569 1.922 30 10 IDEE CCC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1727954828 WFIRZVFDTXMKKN-DOTOQJQBSA-N 425.493 1.579 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCN(CC)CC1 1740537143 BDBXAWYEBIDAGT-OFNKIYASSA-N 432.613 1.804 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740621725 OKGWUQRXCRPVNT-RXVVDRJESA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740626724 YRQRTMPEUWQVNM-MSOLQXFVSA-N 448.618 1.662 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)NC 1740630507 KHAUMRQSAKNVBI-UHFFFAOYSA-N 430.306 1.925 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740637834 AKRHICFCJHDSIL-IRXDYDNUSA-N 426.521 1.702 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1740652524 CHLWDCAXCLHJMM-XMMPIXPASA-N 443.511 1.133 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1740661275 XIBNMLYUVCKUNX-IYBDPMFKSA-N 439.524 1.084 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C)n(C)c2=O)CC1 1740698766 VNZRKIUBBOEEIA-UHFFFAOYSA-N 447.499 1.664 30 10 IDEE C#CCSCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740724257 ZOXRCODGBVPJOT-WIYYLYMNSA-N 435.594 1.206 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740742851 DCQMBJNJQVJYNM-ZIAGYGMSSA-N 439.358 1.880 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc2n1CCC2 1740893568 OVTTVNFMJJMEKB-UHFFFAOYSA-N 442.549 1.404 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740938646 JVVRVUHHORPTIH-FQEVSTJZSA-N 431.518 1.005 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740985609 JZIKPTKYEGHHCQ-CVEARBPZSA-N 432.612 1.796 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCNC(=O)C2CC2)c1 1748693082 XKYGSQRJJILCHO-UHFFFAOYSA-N 446.515 1.261 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1748697803 NWZPRTQMBLBWRP-CQSZACIVSA-N 428.459 1.725 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1748766476 QRBLXKVGACERSG-UHFFFAOYSA-N 444.923 1.213 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CCS(=O)(=O)NC 1748777542 PWEXBRGUTOITJD-UHFFFAOYSA-N 426.340 1.635 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1748886203 AFMKFLLHXTTWPV-XMMPIXPASA-N 446.511 1.460 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2ncn(C)n2)CC1 1749017016 SUJLCOYBUDKGBQ-UHFFFAOYSA-N 436.495 1.151 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749663841 AHPFZQCMHNVMSO-KRWDZBQOSA-N 428.512 1.545 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1749669540 LSMILEDDMVBRBW-IAGOWNOFSA-N 428.512 1.938 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749730487 GBNYSEOWEDVOQM-MRXNPFEDSA-N 432.550 1.465 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1751090845 AYXXWGCVTMDNPL-CQSZACIVSA-N 440.533 1.673 30 10 IDEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCS(C)(=O)=O)n1 1751617174 JIHJIZRSAACIFW-HXUWFJFHSA-N 432.550 1.840 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1760110806 HLRZWINRNFKCEZ-HNNXBMFYSA-N 435.532 1.812 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760189440 PCLKGQXCSOHOIP-UTKZUKDTSA-N 431.562 1.826 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1760189924 RTDMOABEOKEKQF-INIZCTEOSA-N 436.497 1.788 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760190110 YFESDVGHDPIXOP-FUHWJXTLSA-N 435.594 1.867 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C(C)C)C(C)C)CC1 1760252749 VGLIDOZFGISKTM-UHFFFAOYSA-N 438.580 1.799 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760326473 WNLHWMVAPGKQQP-BXWFABGCSA-N 439.582 1.251 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760335138 LQXQTFOWIAAVNY-CRAIPNDOSA-N 434.566 1.673 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1760428508 XUXAQWHVMGXTET-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCc2ccccc21 1760500415 JQXRXDGLACDNLL-HSZRJFAPSA-N 425.533 1.987 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760520800 ZWYCGYFOLHXMTO-MRXNPFEDSA-N 442.520 1.971 30 10 IDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 1763197741 AESXKEBSBOHXGZ-HDICACEKSA-N 437.548 1.642 30 10 IDEE COC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1770776459 MFOYNKXPZGSPJO-HXUWFJFHSA-N 448.531 1.519 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1-n1ccnc1 1771222826 MUNRZQUCOIBYRD-IEBWSBKVSA-N 437.504 1.965 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1771295509 RYZIHYBRDAZFGM-UQASEVPWSA-N 434.516 1.893 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCSCCCO)c1 1771531947 JQOUEUIGPISOIS-LJQANCHMSA-N 428.562 1.453 30 10 IDEE Cc1[nH]c(C(=O)N=c2ccnc(N3CCN(C)CC3)[nH]2)c(C#N)c1C(=O)c1ccccc1 1851657407 BJKKELDFRGTMKJ-UHFFFAOYSA-N 429.484 1.642 30 10 IDEE Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)[C@@H]1C 1854919741 JKLDDQZDRCTHQI-ZDUSSCGKSA-N 432.889 1.977 30 10 IDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C1=O)CC2 1855105538 RLODZQKDVYGVGE-MJGOQNOKSA-N 429.542 1.994 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1=O 1857143908 LLMTWQJDENIOEM-QGZVFWFLSA-N 428.855 1.702 30 10 IDEE COc1ccc(-c2cc(C(=O)N[C@H](CO)C(=O)Nc3ccccc3C#N)nc(O)n2)cc1 1866621290 ALEYOVPMYLRYPX-LJQANCHMSA-N 433.424 1.459 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC 1866801445 XRNIREJYCNMFQK-AWEZNQCLSA-N 445.497 1.883 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCNC(C)=O)c(C)cc2=O)nc1C 1870088268 PVRQJFFTRBQRGR-UHFFFAOYSA-N 448.501 1.418 30 10 IDEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870510065 UUDOWYGPQWVRTM-UHFFFAOYSA-N 425.533 1.655 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cs1 1889495003 ZIVNRTDNVPZQDX-UHFFFAOYSA-N 426.424 1.830 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2025607848 KBJUSUZBMZQGHB-ZWKOTPCHSA-N 429.521 1.382 30 10 IDEE CN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)[C@@](C)(C#N)Cn1cc(Br)cn1 2075137074 VBNFOMDRHVBNCQ-KUHUBIRLSA-N 446.305 1.517 30 10 IDEE Cc1cc(C#CCO)sc1CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2100791650 QUUORDMILSWAJH-UHFFFAOYSA-N 432.523 1.506 30 10 IDEE Cn1ncc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2243393345 QQTJEVGNVNTTBD-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1)B1OC(C)(C)C(C)(C)O1 2247962780 RCEOIVLLWLZKND-LSDHHAIUSA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)NC1(C2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)CC1 2255628734 MHIVJUVCCYUZHE-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 2255654750 CJRXUWNRPNYWNC-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1NC(=O)OC(C)(C)C 2255658976 LMNAGPFUXNSIDY-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE C[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255668734 DJPPBKZZPGVERL-DZGCQCFKSA-N 432.330 1.761 30 10 IDEE C[C@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)OC(C)(C)C 2255701569 SYLVKWFNVSXPNT-AWEZNQCLSA-N 438.330 1.927 30 10 IDEE CCn1cc(C(=O)N(CCNC(=O)OC(C)(C)C)OC)nc1B1OC(C)(C)C(C)(C)O1 2255815794 SZNLRKVGEHXYGJ-UHFFFAOYSA-N 438.334 1.731 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)n1 2255823338 TWBXMLYCWOSVKX-UHFFFAOYSA-N 427.232 1.440 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255867115 YHBDBXLPYLGETB-SJORKVTESA-N 432.326 1.696 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256669117 KWCPFXBKIVYCAH-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 2267266053 NAUJOLLYKPAVCZ-KBPBESRZSA-N 449.361 1.538 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267266831 SNWVYDFHWQUKTQ-CVEARBPZSA-N 447.341 1.745 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267536126 HADKPKDVDOBUCR-QLFBSQMISA-N 446.357 1.705 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2334263185 QFQVIJGAXGXAIE-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3)n2)cc1 20831782 PBOGAXQFSPBBRS-VXLYETTFSA-N 431.503 1.629 30 10 IDEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2cccnc2)cc1 170356521 QQLFLXKNPRQEAN-GOSISDBHSA-N 436.449 1.907 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 254800833 LXMDAINMXWRSPQ-SWLSCSKDSA-N 440.499 1.267 30 10 IDEE N#Cc1cccc(-n2ccc(C(=O)N3CC(S(=O)(=O)N4CCc5ccccc54)C3)n2)c1 409926167 RYIACJAIFFNVKV-UHFFFAOYSA-N 433.493 1.961 30 10 IDEE C[C@H]1CN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCN1CCO 427393928 DIUBKKQPLUMOCY-SFHVURJKSA-N 436.512 1.795 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)ccc1C 446112155 DTCOJVNQWNUJBA-QGZVFWFLSA-N 441.553 1.434 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)C1=O 461293419 RKEKBVIKWQBGON-DOTOQJQBSA-N 427.457 1.131 30 10 IDEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 477519704 BMCNMNBAOWDIBZ-UHFFFAOYSA-N 441.575 1.403 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(-c2ccccc2C#N)c1=O 478845611 OONQKQCSAMKOFB-INIZCTEOSA-N 445.504 1.003 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)C3CN(C(=O)c4ccccc4)C3)C2=O)cc1 486619704 IHWDQCWTIXQANB-FQEVSTJZSA-N 438.509 1.103 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(CCCC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 499620273 RVBADQACUGJOMV-HXUWFJFHSA-N 428.581 1.942 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C[C@H]1CCCO1 512725711 POGDSNNYAFMVKH-OAHLLOKOSA-N 449.935 1.911 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)o1 515663962 UMFVIFSENQXTHG-UHFFFAOYSA-N 432.505 1.947 30 10 IDEE C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 539656230 NMNQITVPJZPALE-UHFFFAOYSA-N 434.440 1.024 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C3CCCC3)cc2)c(=O)n1C[C@H]1CCCO1 580807427 IPUUNEKTCVYFLR-LJQANCHMSA-N 437.565 1.995 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2)CC1 610579905 GJLUAZZBPMTWGA-UHFFFAOYSA-N 432.889 1.683 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 732465572 HBWPTXLUXBOVQA-DQRAZIAOSA-N 447.495 1.834 30 10 IDEE N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CCN1C1CC1 732664544 LHJZOIKEROMTNR-CYBMUJFWSA-N 431.345 1.861 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795302 ASJZXISHYWXOEE-KRWDZBQOSA-N 443.573 1.141 30 10 IDEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)c1 733688154 JYJMBQTWOGBTQN-NRFANRHFSA-N 448.504 1.941 30 10 IDEE CN(C(=O)c1cc(C#N)cn1C)S(=O)(=O)c1ccc(I)cc1 751839722 XJCQJMIMTIHUKV-UHFFFAOYSA-N 429.239 1.962 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758076564 PJRKPEXPBYZCMB-AWEZNQCLSA-N 443.594 1.556 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCOC1CN(C(=O)OC(C)(C)C)C1 777010143 WPCULYUBFYDVFP-HNNXBMFYSA-N 430.509 1.411 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(C4(C#N)CC4)cc3)ncnc1-2 777387271 HJLBGUVZCJEOBY-UHFFFAOYSA-N 440.305 1.896 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780203691 DEWVWHDLPFDQBI-JOCHJYFZSA-N 435.480 1.864 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 781596847 AFIDXWCKOOZZRL-WWGRRREGSA-N 426.495 1.228 30 10 IDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cc(Br)nn1C 789968358 NDNUSMOTJPUPKX-UHFFFAOYSA-N 439.343 1.661 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1C#N 793744894 XEELDGAHCFEDLA-NRFANRHFSA-N 436.512 1.681 30 10 IDEE C[C@H](C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)n1cnc(C#N)n1 798405688 WZJFHFQDWHLDKW-OAHLLOKOSA-N 435.467 1.283 30 10 IDEE O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(F)cc(F)c1 800763938 ZCQFBHBHVORRRK-UHFFFAOYSA-N 437.424 1.965 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 807249638 BEPFNCOPQCMGFX-INIZCTEOSA-N 431.493 1.448 30 10 IDEE C#C[C@@H](N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1)C(C)(C)C 807934901 BLQOLUGFEYZPBE-IAGOWNOFSA-N 432.594 1.950 30 10 IDEE CC(C)(C)N1CC[C@@](F)(C(=O)NCC#CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 810990078 IQJJLPBITQIACP-VXKWHMMOSA-N 426.552 1.647 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1CCCO1 812310916 RUVSFXBXYXKZEW-TZIWHRDSSA-N 436.560 1.873 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 820184749 DDJMKMRFRSZCGK-VIFPVBQESA-N 434.172 1.769 30 10 IDEE N#C[C@H](C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)Nc1ccc2c(c1)OCCO2 916964784 AMKLXOSXKKLFFK-TUFGIGEDSA-N 444.513 1.831 30 10 IDEE O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)Nc1nc[nH]n1 1083918749 QRPZYDFAUYMNGC-UHFFFAOYSA-N 438.271 1.568 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)c1 1084060515 USKCIOSWJBRAME-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)C1 1135874028 MQQJZDSXTCLVFL-BNGSBABLSA-N 445.564 1.196 30 10 IDEE N#C[C@@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccc(Br)cc1 1141447257 ATFSLPJDXQHTTR-GFCCVEGCSA-N 434.275 1.739 30 10 IDEE N#C[C@H](CCc1ccccc1)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1147646253 YIKKSJBTNDBAAF-QFIPXVFZSA-N 426.561 1.836 30 10 IDEE C[C@H]1CN(c2cccc(CN(C)C(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)S(=O)(=O)C1 1155870591 YSZGSPRMKXZAQS-IWKHNONTSA-N 446.529 1.347 30 10 IDEE C#CC[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1167953277 XEUSXLZUZVTDHF-ZFWWWQNUSA-N 445.463 1.490 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286313501 AYQHSFZLKANQHF-JKSUJKDBSA-N 445.611 1.095 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286342119 MKYBRMAZSQZZPL-HZPDHXFCSA-N 433.534 1.578 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286378243 QMKMDOICSDQRFC-QGZVFWFLSA-N 428.518 1.222 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286392234 LEGNMAVIBZRNGK-VQTJNVASSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC)cc1 1286408556 CZXQINRQGQHOPB-HXUWFJFHSA-N 426.542 1.838 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1286442739 LFKZOAHNBVWRLU-FQEVSTJZSA-N 429.550 1.176 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@H]1C 1286539235 WCAPMYLZACYFBD-LLVKDONJSA-N 437.298 1.581 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1286560858 JOAQIQNIRHADGX-FXAWDEMLSA-N 427.553 1.513 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286789536 FIXBACSBAGTARK-CQSZACIVSA-N 444.458 1.250 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286822811 HRJQQFLCWPEJCJ-LSDHHAIUSA-N 427.534 1.559 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H]2C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1288138268 WBIGZIVRZOVRKC-RJCBAWPRSA-N 441.536 1.712 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1295074008 HDQSWSRHRCQQPQ-UHFFFAOYSA-N 444.543 1.940 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1295161275 CCVCQJAHCGCEIZ-JWRCQZCYSA-N 447.586 1.741 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)CCOC1 1296662649 FSWPWUDRNXEILS-NQIIRXRSSA-N 435.525 1.245 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCCS2(=O)=O)CC1 1300692816 NCJCOBKXQHZCBS-LJQANCHMSA-N 427.574 1.976 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300863207 KTFMRNBCVQFLGZ-ULQDDVLXSA-N 439.582 1.411 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1300999903 JOTFTGCSASFKAE-UHFFFAOYSA-N 448.549 1.751 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1301327147 NCEYNFYBYHUKLQ-GDBMZVCRSA-N 428.580 1.302 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1301498189 KIOATDQHTXOBSJ-OAHLLOKOSA-N 444.540 1.260 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301588051 BSPLRBKRPSKEJD-HXUWFJFHSA-N 425.599 1.378 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301959017 JWJICPAETXYHKI-RYRKJORJSA-N 446.581 1.479 30 10 IDEE C#CC1(F)CN(C(=O)[C@@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1303145240 ITVPMCHDKMRGIO-HXUWFJFHSA-N 435.455 1.953 30 10 IDEE CS(=O)(=O)C1CCC(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1312485348 KEVBITMKBLLFAD-KVZIAJEVSA-N 432.546 1.956 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)CC1 1315745317 XCORHMXVOGLNMI-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1358889880 IERCRKNRRBRZTH-QAPCUYQASA-N 433.534 1.578 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1358930056 NIVCDTJPMYGITN-ROUUACIJSA-N 435.594 1.726 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCOCC1 1358941040 WLHSVGWDNZSRJN-UHFFFAOYSA-N 435.326 1.398 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1358956059 ZDJAATWZMBFJFM-OAHLLOKOSA-N 437.591 1.854 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358965137 OOMADGBOGCHASK-HXUWFJFHSA-N 444.605 1.621 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1359034918 GOLAAIZJDSSEMA-UHFFFAOYSA-N 442.589 1.581 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)cc(C)cc2C)CC1 1359035751 CZFMRMVTVJYROG-FQEVSTJZSA-N 441.601 1.909 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccc(C)cc2)C1 1359311426 AKSDDEOPUIYFCV-IBGZPJMESA-N 440.548 1.936 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)C1 1359321339 FFTZIXQZGIJHNK-IAGOWNOFSA-N 446.577 1.471 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1c1nccn1C 1435860716 WJPCOMCSWIZSHW-SFTDATJTSA-N 447.499 1.297 30 10 IDEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1NS(C)(=O)=O 1441421085 LQHXODJRTJOSLA-GFCCVEGCSA-N 439.490 1.985 30 10 IDEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1456988296 ZQABTXUATCKZCN-IJYGLTAASA-N 436.509 1.387 30 10 IDEE N#Cc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)cn1 1464875202 VDNYOJDRQWZOKG-UHFFFAOYSA-N 435.509 1.967 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 1471128714 TWZFVJSESNCEMH-SFHVURJKSA-N 425.537 1.647 30 10 IDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C1CCOCC1 1475947345 OTWQHKBSLPAXNE-KRWDZBQOSA-N 437.518 1.266 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C2)c(=O)nc1O 1478626536 NFCMFKOQNPRTKL-HNNXBMFYSA-N 445.277 1.696 30 10 IDEE CCCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1501040248 GPOZRMNWCYWFDM-ZWOKBUDYSA-N 437.614 1.893 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(N2CCOCC2)CC1 1504971404 BSYPFHQPSBKSDI-WIYYLYMNSA-N 432.569 1.997 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1507600892 LFGWBVCFWWWKAU-AEFFLSMTSA-N 447.561 1.482 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(OC)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1507627791 UAMYTIWWBAPFIO-QGZVFWFLSA-N 425.514 1.818 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1507660033 LALLJTOYOKXLKU-MOPGFXCFSA-N 448.637 1.862 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccn2)CC1 1507847902 RTADEGCQLSSCHR-UHFFFAOYSA-N 426.525 1.110 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)C 1508071193 IAEZOGXYNHBTFE-UHFFFAOYSA-N 441.536 1.410 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1508074454 NBPOVOKVZWDQAH-HUUCEWRRSA-N 431.468 1.859 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1508132547 VWGXCMDTYLHDMH-WOJBJXKFSA-N 425.489 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@]2(CCOC2)C1 1508145078 WNQKXBSQSFPMKT-IBGZPJMESA-N 438.575 1.527 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1509524174 HOEPXZJYZWUQGQ-UYAOXDASSA-N 437.548 1.784 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1512372015 WSZQJYCDBORFPX-AQOAWAETSA-N 440.552 1.913 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1513409733 JNAXXYUWQJULHE-JBYIUTFZSA-N 446.552 1.653 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCS1 1514136097 AXTWMVKXAVRDRC-YLJYHZDGSA-N 447.586 1.698 30 10 IDEE CN(Cc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517148723 PTTRUABHHRCDRT-ZPHPHTNESA-N 439.476 1.270 30 10 IDEE COC(=O)[C@H]1CCCN(CC(=O)Oc2c(Br)cc(C#N)cc2OC)C1=O 1517623437 ABGWXLPNCBIPNT-NSHDSACASA-N 425.235 1.646 30 10 IDEE COCCOc1ncccc1Cn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1519353430 LPRUNHIENINFAG-UHFFFAOYSA-N 434.504 1.648 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1519368832 IGXRRTYGJIUYSZ-GHTZIAJQSA-N 429.546 1.926 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(-c4cnccn4)n3CCOCC(F)F)CC2)c1 1521110567 PKXLCJCAWBHTDJ-UHFFFAOYSA-N 441.446 1.610 30 10 IDEE C#CC[C@H](COC)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1534144154 BSWYIQHUHKKREB-VFNWGFHPSA-N 426.510 1.489 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)o1 1535299401 HLUMUEREFZPWRR-INIZCTEOSA-N 433.509 1.823 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCn3ccc(C(F)(F)F)n3)C2=O)cc1 1536967852 XTVKPZGYFCWOFD-AWEZNQCLSA-N 434.378 1.795 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1539124816 IDPGJSHLOHINOX-AEFFLSMTSA-N 437.566 1.030 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539223225 ZQFUMBYKRKADSW-DLBZAZTESA-N 426.608 1.798 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(S(C)(=O)=O)CC2)CC1 1539438472 XVGZJWYPVRMRMR-UHFFFAOYSA-N 444.517 1.186 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CC2CCN(CC(F)(F)F)CC2)CC1 1539463377 ZNDDKERCTRLPEE-UHFFFAOYSA-N 428.503 1.844 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1539512662 DXGFBQDXTIZDCV-KRWDZBQOSA-N 432.594 1.679 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540867779 HMSKFQKMOWYCMA-KRWDZBQOSA-N 426.521 1.608 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1541127077 ZRYPBEVNIYKARA-GOSISDBHSA-N 442.516 1.182 30 10 IDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1)N1CCOCC1 1541304707 HSTHQTGIPSCTKE-HXUWFJFHSA-N 437.548 1.500 30 10 IDEE C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1541859713 GIZAWTHYSUKHPG-GOSISDBHSA-N 431.548 1.807 30 10 IDEE Cc1nc(CN2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)n[nH]1 1544476240 HJKPONURPMGCBQ-UHFFFAOYSA-N 425.342 1.679 30 10 IDEE CN(OC1CCCC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554324766 ZCBVHQDRMCFSOQ-ZPHPHTNESA-N 443.508 1.351 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1=O 1555584167 BHJSTOSMPLIWAQ-UHFFFAOYSA-N 434.504 1.202 30 10 IDEE COCCOCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1555717640 NVKSUKNICWDOFG-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE CN1CC[C@H](N2CCC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1556526771 GIUGZFJNVQAUDR-MSOLQXFVSA-N 435.569 1.775 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 1557798829 OZNQNBUHODQRKW-QGZVFWFLSA-N 438.546 1.783 30 10 IDEE C#CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1558102107 CKIMLLSVFDYELE-UHFFFAOYSA-N 434.436 1.630 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1560017647 PNOPFBPVGRVKAM-IYBDPMFKSA-N 425.501 1.981 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)c1 1561822511 XLCIZJKRMVYHGF-OAQYLSRUSA-N 438.546 1.971 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1565405207 CROQSVSWGKGXOJ-IAGOWNOFSA-N 447.540 1.066 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H](C)C(=O)N4CCCC4)CC3)n[nH]2)c1C 1566299397 JXWKMHXYWGYFNP-SFHVURJKSA-N 439.564 1.845 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1587638829 HNAWOZWZJUDCJB-DMPWYTOCSA-N 446.552 1.523 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1587804067 UFQQHYNLPWCFKW-IBGZPJMESA-N 443.596 1.353 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)COC)CC1 1587818548 ZNWIMPNCDLVUAV-UHFFFAOYSA-N 435.326 1.744 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1588029453 IERFGGOLJYCNEE-IBGZPJMESA-N 443.573 1.631 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1588034107 BDBMDXRUBUQXJI-NEYJZJCJSA-N 436.578 1.918 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588074059 IAVLAGXOLAVDDC-OTWHNJEPSA-N 449.621 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1588228685 JTPIHEJNYSBGTH-ZWKOTPCHSA-N 426.546 1.102 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1588263410 USFXVABOWWVASV-UHFFFAOYSA-N 438.513 1.859 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[S@@](=O)CC)CC1 1588913895 SSYMPTVIHWQCLV-PMERELPUSA-N 427.574 1.988 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1589116036 BRFWDYOTGIZWQG-MRXNPFEDSA-N 429.546 1.899 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1nncn1C 1589442916 GASWDJQKNSLICS-CYBMUJFWSA-N 435.330 1.779 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1594813603 VDNQXKOYOLDECN-ROUUACIJSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1595536692 FOYWQPGVDVHRKF-HZPDHXFCSA-N 440.504 1.198 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)OC)C2)cc1 1595613888 KGEKDBOGHBAEHW-AEFFLSMTSA-N 425.489 1.842 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H]2C(=C)C)C1 1595722367 JNICZKJZJNVINK-MKXGPGLRSA-N 436.578 1.943 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595866548 ORSYFMNVXYAMSS-UHFFFAOYSA-N 429.594 1.937 30 10 IDEE CC1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1612860878 OXWVYKAIQSKCQO-FMQUCBEESA-N 427.509 1.163 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1613012074 AQKRYIZJKCGDQW-KRWDZBQOSA-N 444.561 1.018 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1616196923 VMROOBXKZWDCMF-APMZBBCHSA-N 444.536 1.691 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1620346814 IJAYHENVWRWGAV-VFNWGFHPSA-N 438.442 1.660 30 10 IDEE CN1CCN(CCCN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1628127491 JEZHGRDGMAQYGW-FVRICEFQSA-N 433.597 1.869 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 1630716907 CJPJCZOKMCMNSK-OAHLLOKOSA-N 436.511 1.116 30 10 IDEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1632819525 RCGTWKNQLDZEAB-PBYQXAPXSA-N 434.562 1.703 30 10 IDEE CC[C@H](CNS(C)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1635828082 XVMNCQAFLIVZSB-CQSZACIVSA-N 429.340 1.201 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)ccc1F 1640531169 WITJKARWGDTZEP-OAQYLSRUSA-N 446.504 1.821 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](c4cc(O)nc(O)n4)C3)C2)C1 1640605503 SMSFOWBYUHAAFV-HSLAECEOSA-N 443.504 1.991 30 10 IDEE C#CCN(CC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC)C(=O)OC(C)(C)C 1643370348 LQQXMWVEKDQNNI-UHFFFAOYSA-N 433.461 1.407 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1644558759 YRPGBEFKMVPQRR-HNNXBMFYSA-N 428.489 1.762 30 10 IDEE Cn1ncnc1C1(O)CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1644623523 RZMVXZHOHGBDAQ-QGZVFWFLSA-N 438.488 1.251 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CCO2)cc1 1647999012 XAUYHUNZEFVMFP-QGZVFWFLSA-N 425.470 1.313 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4c(sc(N)c4C#N)C3)C2=O)cc1 1648291749 UIFNHPPBVOTYHT-OAQYLSRUSA-N 439.497 1.562 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC4(CCNC(=O)O4)CC3)C2=O)cc1 1652991764 KUIBNWJRMRWOLV-MRXNPFEDSA-N 425.445 1.254 30 10 IDEE CN(CCC#N)S(=O)(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1662357564 HXVQKOWJDIVJHX-OAHLLOKOSA-N 427.531 1.030 30 10 IDEE CCOC(=O)c1c(NC(=O)NC2CCN([C@H]3CCOC3)CC2)c(C#N)cn1CCOC 1668605514 FJTUROWTOLPNGI-KRWDZBQOSA-N 433.509 1.558 30 10 IDEE Cc1cc(Cl)c(Br)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1670465200 CJLRSQRVSVFHOT-UHFFFAOYSA-N 447.698 1.523 30 10 IDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1681498930 GHHDDGKAXNDASM-ROUUACIJSA-N 426.477 1.207 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1689982278 KIPVTCUATUWUCZ-NQIIRXRSSA-N 448.545 1.587 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689993089 VIIRFXOHDWTTDT-XLIONFOSSA-N 439.651 1.541 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2cnn(C)c2)CC1 1690113328 GVEOFWXYAUBCFN-JOCHJYFZSA-N 427.553 1.052 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1690115923 WXRFVFJWAIRIHR-LJQANCHMSA-N 438.557 1.397 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1690166210 YGBSBLTXXBYQOJ-HNNXBMFYSA-N 442.545 1.543 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1690313650 ZSEATHMRXOKMRA-GNZRSQJKSA-N 439.582 1.725 30 10 IDEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690459407 RUZAJDVCPLOFLO-UHFFFAOYSA-N 439.524 1.096 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690497537 SNVUNSYGXCLBDF-JTSKRJEESA-N 442.520 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC(F)(F)F 1690669190 XISPIKCZSGYVMU-UHFFFAOYSA-N 449.437 1.976 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(N)=O)c2)C1 1690684806 OSUHVDDAEIGNIN-GOSISDBHSA-N 447.499 1.854 30 10 IDEE CC(=O)NCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N 1690974156 KPCPHOMHHPBZOS-CQSZACIVSA-N 432.554 1.503 30 10 IDEE CC/C=C\Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1694992248 COSBWWCJKYFKTN-DDKKJVIOSA-N 441.561 1.740 30 10 IDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1696524366 PLAWQWFMDSFXBG-ROTAYESASA-N 442.545 1.214 30 10 IDEE COC[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697875192 BPVXKXCXUBMZND-UNEBPCJRSA-N 437.504 1.263 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C(C)C)N1CCCC1 1698254222 IVBXRSVWXBPYBL-MUGJNUQGSA-N 432.569 1.851 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 1705570378 MTGCGDYYLDTLGC-LJQANCHMSA-N 441.557 1.642 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1705598200 DGIWAONNTGRPNM-SFHVURJKSA-N 433.578 1.510 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1705628433 GPQKCEMWRGHXNL-IAGOWNOFSA-N 430.530 1.442 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCC2CCOCC2)CC1 1705635495 ZYXFRSHKPVSQMJ-QHCPKHFHSA-N 431.581 1.892 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nncn2C)CC1 1705650313 PDKDAIMKWQKWOQ-UHFFFAOYSA-N 436.495 1.151 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(O)c2)CC1 1705735433 QLVQQEGIDFDWIW-IBGZPJMESA-N 426.521 1.854 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705831730 AYMWJFDJGMISMT-JOCHJYFZSA-N 433.553 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1705902249 AGBIEPQCVXCELK-ROUUACIJSA-N 440.548 1.808 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1706075774 SIOHDJCPUGBCGB-IEBWSBKVSA-N 440.552 1.853 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1707219025 GPWZXFUSWHXFLI-NSHGMRRFSA-N 427.505 1.743 30 10 IDEE CN(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1711017002 YBISQNVFKVHBQD-HXUWFJFHSA-N 439.564 1.558 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1712608083 BZNDCTLOJLVLJP-LJQANCHMSA-N 440.504 1.901 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1722360261 FSJNRXAYUZWBSZ-ROUUACIJSA-N 428.562 1.309 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1722364524 HUPLLCCCUDGLTP-QUCCMNQESA-N 442.589 1.232 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)c1ccccc1 1722430017 ZCERGEXWFODQIH-MOPGFXCFSA-N 445.589 1.791 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1722432700 YZACTFQUAJOBEZ-MOPGFXCFSA-N 448.637 1.535 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)SC)CC1 1722443735 MYVAPNCJUWGCQZ-IIBYNOLFSA-N 435.594 1.648 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722529631 XTDOOKCKHPWTQC-GVDBMIGSSA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1722702038 JADARZIQRMCKAG-QHCPKHFHSA-N 441.532 1.772 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CCN(C)C)CC2)C1 1722711724 HUOYDGVLBQTARY-OAQYLSRUSA-N 442.612 1.734 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722740575 QSYAGHHEWAEKKS-DLBZAZTESA-N 431.566 1.943 30 10 IDEE CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726896124 YHZCNFTUUXMNIU-RJCBAWPRSA-N 431.541 1.086 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740619950 BAHKGDNNPLIQEW-UYAOXDASSA-N 442.589 1.699 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)CCC(C)C)CC1 1740705212 CQIBEICGRUUVPK-MBSDFSHPSA-N 444.580 1.382 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740706818 DYQSOEOAQIVZMO-LJQANCHMSA-N 449.559 1.144 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740715423 IZANYIJNXNAUGB-QGZVFWFLSA-N 442.593 1.138 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1740937865 QVBUFTROVUWHSZ-HNNXBMFYSA-N 431.522 1.185 30 10 IDEE C=CCn1c(CC)nnc1N1C[C@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1740950315 DRPVZAGYCUJOKA-HNNXBMFYSA-N 439.582 1.935 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1741094406 XLLXQAZWXFKSFB-FQEVSTJZSA-N 439.564 1.747 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1C[C@@H]1C 1741925268 AUYXUHJCAMLRFH-OBJOEFQTSA-N 431.522 1.079 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1743955006 YVZATIZLANPGSF-KURKYZTESA-N 437.504 1.537 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1746186013 LNZKYTKWPICDEP-GOSISDBHSA-N 439.564 1.842 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748033075 RBCGWUSZHQBJCO-CZIZESTLSA-N 425.493 1.019 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N2CCOCC2)CCSC1 1748689549 CUWXONYPOOQTIJ-ZVVDCOBXSA-N 449.621 1.668 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1748700052 VPULTBQRIJRNDL-UZLBHIALSA-N 439.582 1.466 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748820382 AQXRYHTVLGWTHO-IBGZPJMESA-N 443.573 1.168 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCC2CC2)CC1 1748979581 FROOEWQMZQOKNU-UHFFFAOYSA-N 438.532 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1749009290 OCPHSZZPTFDIOB-APWZRJJASA-N 425.537 1.196 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749033423 FUJNABLBGHZWBP-MRXNPFEDSA-N 429.525 1.456 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1749033786 MTNLKYSUHXUURW-CABCVRRESA-N 432.575 1.938 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC 1749066142 HKKZAHMJCNXYFL-OXQOHEQNSA-N 439.582 1.276 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749434407 RMUDIFGGHKUJBC-IBGZPJMESA-N 443.596 1.500 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749664204 YOCSLDGCRGYCJQ-UHFFFAOYSA-N 432.550 1.513 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1749669613 IYSOXPVOWYVLJE-UHFFFAOYSA-N 438.598 1.488 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1750099760 BIQCFGXXXAZACP-UHFFFAOYSA-N 435.488 1.136 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1750118244 PKACPAGGNIHLTO-UHFFFAOYSA-N 427.509 1.908 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(F)(F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750948114 FLNXKRSBZMERNK-JQIJEIRASA-N 437.451 1.178 30 10 IDEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CC1 1751247907 GASHPEBDHFQDMO-SBUREZEXSA-N 438.532 1.982 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1760107823 SQBYECIOZQKPHS-MRXNPFEDSA-N 439.541 1.891 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1760115637 BBSIRBLAEZAANE-DOTOQJQBSA-N 433.603 1.758 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760153040 GJIDQJVMHJXZFH-AWEZNQCLSA-N 426.443 1.538 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCOCC1 1760196117 PATLMQYHTFCRDE-UHFFFAOYSA-N 443.511 1.690 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1760219769 NBJFGVWDOQELRZ-FQEVSTJZSA-N 449.511 1.536 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCN(CC)CC1 1760238085 HXFSQFGBCCTSRB-LJQANCHMSA-N 426.613 1.873 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C(N)=O)nc2)CC1 1760256450 XIWDFHRDDYMZJE-UHFFFAOYSA-N 446.471 1.151 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(OCCOC)CCOCC2)CC1 1760263317 WUMHIALQNMSMMQ-UHFFFAOYSA-N 445.608 1.978 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC)C1 1760313738 PQQHDTCRASCVJB-AOIWGVFYSA-N 442.520 1.758 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760431558 UQYLMGIGXFQJAC-UHFFFAOYSA-N 425.537 1.808 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760511136 KTMCLDDAYKZIAT-UHFFFAOYSA-N 429.506 1.090 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760523319 UCYFCFRBHJCELZ-BTYIYWSLSA-N 442.524 1.084 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 1760524970 PIRRALTZQSCPNZ-GOSISDBHSA-N 436.520 1.613 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CC=CCC1 1760554662 JMNUFHJHBBDUQR-SJORKVTESA-N 442.607 1.574 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1765914583 YFMRHHBTAHMFEI-YCRPNKLZSA-N 444.492 1.720 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)cn1 1769003374 LHQWPABLRNUJON-BEFAXECRSA-N 438.458 1.477 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1769783453 DBQSJLWMKNMBKE-UHFFFAOYSA-N 439.564 1.700 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1771536003 GGIHLCIZGODTTG-BBWFWOEESA-N 435.431 1.815 30 10 IDEE C[C@H](O)C[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 1848437863 NRDGFMRATGBIKW-AZCGAZOTSA-N 446.540 1.688 30 10 IDEE CC(C)[C@@H](C(=O)N=C1C[C@@H](C)N(c2ccc(Cl)cn2)N1)N1CCS(=O)(=O)CC1 1851738897 BHRAMWRNRUIPLW-DYVFJYSZSA-N 427.958 1.518 30 10 IDEE CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 1851868884 JHCCNPRUZSKLJD-LJQANCHMSA-N 445.520 1.744 30 10 IDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853952390 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C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1540701212 WFDPELSTQSEZFD-JKSUJKDBSA-N 445.582 1.388 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1541698630 RCRRQOQXOWIGNR-XLIONFOSSA-N 437.548 1.498 30 10 IDEE COCCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1542840798 WFVYUJHBWITDKR-OAGGEKHMSA-N 429.539 1.045 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1547350644 CXVAKPNNZWJZSN-KRWDZBQOSA-N 430.534 1.355 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1552919268 DFYYZTMVIMLWMA-KRWDZBQOSA-N 426.506 1.122 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC[C@@H]1C 1555173229 RSJCMSZYJMWOCX-QFBILLFUSA-N 444.561 1.713 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(Cc4ccncc4)n3CCOCCCO)CC2)nc1 1555991195 LWNOAJLEOHHBFR-UHFFFAOYSA-N 448.531 1.256 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCC1CS(=O)(=O)C1 1556216770 FDSOBDRVRUFPMU-SFHVURJKSA-N 433.530 1.943 30 10 IDEE CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N 1556540473 AVNUSEXRZYLCBP-DOMZBBRYSA-N 444.351 1.924 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@H](C1)[C@@H]2C(=O)OCC 1558368195 DRBVXZGUXUJNCZ-QSOKESPWSA-N 447.557 1.942 30 10 IDEE C=CCCC[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1558384499 ZSEJHUBECQHGKH-HOTGVXAUSA-N 425.526 1.906 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(I)nn2C)n1 1586565553 TVRJMDXKOLCDLM-UHFFFAOYSA-N 427.246 1.143 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)OC)ccc1F 1587213722 WUFGUNOTFWBXOZ-XJKSGUPXSA-N 428.482 1.378 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1587555933 KWJKBKBKLQDHLL-MRXNPFEDSA-N 447.499 1.909 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)[C@@H](C)CC 1588124563 NIXKJVXXKGWHDK-SFHVURJKSA-N 431.544 1.995 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(Cc1nn[nH]n1)CC(C)C 1593753346 WJTXWAZCIMEOKK-OAHLLOKOSA-N 433.538 1.338 30 10 IDEE C=CCCOCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1594829505 KGSRCTUJLKLOGN-JOCHJYFZSA-N 449.552 1.990 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1595296617 HBNVUQQDIRNDLV-UHFFFAOYSA-N 432.525 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595776632 CEWTZVFNCDMKOC-HXUWFJFHSA-N 435.525 1.647 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1 1618295099 LMHUYSWHCUWKQL-OAHLLOKOSA-N 433.310 1.916 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1620176305 AXWURDJOONSWMQ-ZWKOTPCHSA-N 430.534 1.371 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1620351879 HSGPQGVWPOPOIV-UHFFFAOYSA-N 443.529 1.435 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCO3)n2CCSCCCO)CC1 1620352176 PSMZEGPVMCNJCZ-GOSISDBHSA-N 443.577 1.838 30 10 IDEE C[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C(=O)OC(C)(C)C 1627431547 BAKUBRMTJCEOCU-ZBFHGGJFSA-N 435.546 1.942 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCO2 1627499943 AFVBNHIYDPSLGV-WOJBJXKFSA-N 437.518 1.311 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 1633657162 NDQLNMVOOBEOTH-UHFFFAOYSA-N 433.511 1.878 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H](O)Cn1ccnn1 1642304093 DSVGYURHKXAPAG-FUHWJXTLSA-N 426.477 1.161 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(c3nc(C4CCC4)no3)CC2)c1 1651190623 OHODILPSNCZPEQ-UHFFFAOYSA-N 429.502 1.893 30 10 IDEE Cc1nn(C)c(N2CCN(C[C@@H]3CCC4(CN(C(=O)OC(C)(C)C)C4)O3)CC2)c1C#N 1653318675 JUBXIOQANHMWEB-KRWDZBQOSA-N 430.553 1.891 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)C(=O)OC 1664950598 CMRRGNMVCYUWSU-BZSNNMDCSA-N 440.518 1.450 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(SC)nc3ccccc3c2C)CC1 1673828271 SWHJZEAKLNAOHH-UHFFFAOYSA-N 433.559 1.882 30 10 IDEE C[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H](C)N1CCOCC1 1678488205 CUHACWSZZARDEF-ZWKOTPCHSA-N 437.548 1.889 30 10 IDEE C#CCN1CCC(NC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CC1 1680982182 ASVKQESXSJQKDD-UHFFFAOYSA-N 436.553 1.766 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 1682351840 BTZHNIWNIGDXTN-QGZVFWFLSA-N 428.470 1.985 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689988525 QZDHGSNUVHUCGA-LLVKDONJSA-N 445.423 1.195 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)N(C)C 1690063528 GWZNYMYDMPEPJX-UHFFFAOYSA-N 446.577 1.523 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(C(=O)N(C)C)CCCC2)n1 1690108134 QGUHAYRQVNRUPR-UHFFFAOYSA-N 427.553 1.718 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)CCCOC)CC1 1690117768 VDTNSYVLWVZYGZ-UHFFFAOYSA-N 431.972 1.717 30 10 IDEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690157613 KRULNTQTQLBWJB-QAPCUYQASA-N 447.536 1.875 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1690160160 ZLRYILMPNAYCCT-KRWDZBQOSA-N 449.602 1.787 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690309922 NTYFQCRBGXBPCS-ROUUACIJSA-N 429.525 1.232 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@H](C)C1 1690527072 IYJAYTCOIQOFHE-IKGGRYGDSA-N 427.571 1.438 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCNS(C)(=O)=O 1696689272 HZBULEGIQKDMTG-UHFFFAOYSA-N 425.518 1.321 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1705479168 FZVYUUXTSPHWJM-GFCCVEGCSA-N 443.371 1.395 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705561277 OPIKKYCBXJCKAC-GOEBONIOSA-N 425.555 1.374 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1705565705 JTNPRLLFKZZJRC-SFHVURJKSA-N 427.530 1.320 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1705566036 LPAYJKVHNRWKMR-YRXWBPOGSA-N 436.578 1.698 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705662984 RXEBQEMQZTVDGO-NRFANRHFSA-N 439.633 1.847 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1705729991 DYUWVYHVDYHDME-LPHOPBHVSA-N 429.587 1.876 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1705754590 BTEOBGZRJGSSLS-KGLIPLIRSA-N 436.003 1.695 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2cc(Cl)ccn2)nnc1[C@@]1(OCC)CCOC1 1705908504 QSEKKYCTXZCUDW-HXUWFJFHSA-N 434.928 1.917 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](CN2CCCCC2)C1 1705932144 MXRFCKVRPRLLCW-GOSISDBHSA-N 445.593 1.648 30 10 IDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1709404103 MMSCITDBMANHQN-WAYWQWQTSA-N 437.548 1.905 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711074045 RGUYPIHLBGPOSH-HYHOCUEZSA-N 447.499 1.816 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)c(OC)c1 1711757368 UYMLKJWDQINBNS-NRFANRHFSA-N 432.500 1.982 30 10 IDEE COC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1712160330 LUJWGDDUAYMFBE-HXUWFJFHSA-N 448.531 1.519 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1712422800 FSFLHMDJQBTJRB-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(N)=O)cc1 1712640125 WWKRHQQLDOFVHR-WJPUGNRLSA-N 443.483 1.983 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2Cc2nnn(C)n2)c1 1722309252 MCYKSBUBNXQQKW-QGZVFWFLSA-N 435.492 1.148 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1722368112 ZDVKAVPIGTXUQW-SFHVURJKSA-N 446.573 1.929 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1722371574 KJZIAPQPIHBQGD-IBGZPJMESA-N 445.589 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1722398404 XVTURIZXVJTMIL-IBGZPJMESA-N 436.491 1.570 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1722426670 FWKCQOYIRLEDKO-INIZCTEOSA-N 444.540 1.613 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1722445149 SNAPMXFQJOOTOZ-BJLQDIEVSA-N 447.580 1.641 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722537622 PKKWEOHYRAXZAF-BRWVUGGUSA-N 437.566 1.020 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722606877 JKWJRAJXECVYEO-INIZCTEOSA-N 446.577 1.829 30 10 IDEE CC(=O)N1CCN(CCn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1722798803 HPRMNRKDNSNEOG-XMSQKQJNSA-N 447.584 1.079 30 10 IDEE CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1728058036 YKMOIQCNGSMGBY-OAHLLOKOSA-N 432.554 1.282 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(Br)n2)cn1 1729570938 OQVQCCPQGPXZDF-AWEZNQCLSA-N 429.282 1.613 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1740640721 UWMKSUFYAXBXMQ-INIZCTEOSA-N 433.390 1.542 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCN(C(C)=O)CC2)CC1 1740704419 NRBFGKOLUZGORS-UHFFFAOYSA-N 437.548 1.498 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740710553 ZCGGMZJQZWODQT-IBGZPJMESA-N 447.653 1.387 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740898912 AEPXHRXOQOAXMG-ZDUSSCGKSA-N 449.524 1.962 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(COc2ccccc2)CC1 1740957857 CDEZZKKDGFMGHH-LJQANCHMSA-N 438.532 1.827 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC)C1 1740986240 UFNLGXQJNZYHSZ-IXDOHACOSA-N 448.568 1.966 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1741801257 ZOLCFWWKZJQPGT-OAHLLOKOSA-N 429.525 1.591 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1747730058 CDDUTZAPOZENMX-WIYYLYMNSA-N 445.545 1.230 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1747767399 BCHWWBCNSUSBNC-UHFFFAOYSA-N 434.504 1.436 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1747852775 KOTQEDLSLJVNTE-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CCO1 1748212740 VZPOZMCEUPOTLA-OAHLLOKOSA-N 427.852 1.458 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(=O)N(C)CC)c1 1748694303 DMNHVOKBZBKVDG-UHFFFAOYSA-N 445.527 1.798 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749097618 FOBAQCYCRWINSY-CHWSQXEVSA-N 441.330 1.853 30 10 IDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749457885 SHFVQMGQTUQAFU-RTBURBONSA-N 443.504 1.335 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749655605 NBJNFBJLTBRCHH-HXUWFJFHSA-N 425.449 1.014 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccnc2C)C1 1749697977 PDUKICLHHOQHSZ-HZPDHXFCSA-N 435.554 1.011 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749764832 CKVIVAXDJRGPKB-VQTJNVASSA-N 437.548 1.500 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1750563701 OCRMTUMYFQDMPW-QGZVFWFLSA-N 439.520 1.203 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNS(C)(=O)=O 1751096812 YHGFWHIEAXIADK-HNNXBMFYSA-N 430.538 1.194 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1751431337 BTELCGYMTLMGTQ-MAUKXSAKSA-N 447.565 1.040 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1751981386 GWYPGSVLJIYXTJ-HNNXBMFYSA-N 442.545 1.308 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760155591 CEUSJZDOQSIEPD-UHFFFAOYSA-N 436.607 1.907 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760163545 VWGAJUFFDYHJRA-HUUCEWRRSA-N 442.586 1.461 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1760195208 YYTCIYWQNCKRSX-INIZCTEOSA-N 439.545 1.470 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC[C@@H]1C 1760200874 VOWQVQTXZMZXHY-FQEVSTJZSA-N 429.528 1.924 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1760205319 XPKMWBGTIMVTRI-UHFFFAOYSA-N 426.484 1.576 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760348857 OQUYSHMSPSTKEJ-WMZOPIPTSA-N 441.598 1.876 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760354061 NCYCYCWTMMASAN-UHFFFAOYSA-N 444.536 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(C)(OC)C1 1760553055 KEXZLJAINNFYCQ-UHFFFAOYSA-N 434.518 1.542 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)C(=O)C1 1760569687 XEUIRSBLYBXGDV-UHFFFAOYSA-N 446.602 2.000 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CN(CC(C)C)CCO1 1764845358 TZDFSZSTPUCIIZ-GOSISDBHSA-N 425.537 1.732 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1766759910 KRLRHYBQZAFYRG-BGOLNKOXSA-N 445.545 1.493 30 10 IDEE CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1768453749 RTEUECSISILGDH-MSOLQXFVSA-N 444.499 1.757 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1770342386 BOHDPJFMYPREAW-GOSISDBHSA-N 442.545 1.919 30 10 IDEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1770365358 AEXXOTFTNNTVSU-MUUNZHRXSA-N 433.559 1.209 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1770730859 FNJGAFZNRFVMDL-QMTMVMCOSA-N 428.459 1.928 30 10 IDEE N#CCCN1CCN(C(=O)c2nnn(-c3ccc4c(c3)OCO4)c2-c2ccncc2)CC1 1848526777 HNTFJBQNKVQVMP-UHFFFAOYSA-N 431.456 1.729 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cn(-c3ccncc3)nn2)cc1 1852772725 IFFDGGNFBDRSMJ-HXUWFJFHSA-N 434.456 1.471 30 10 IDEE CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)cc1 1854775465 OTLMNWKOCSQAJR-UHFFFAOYSA-N 426.498 1.968 30 10 IDEE CC(=O)NCCC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccccc1C#N 1866802993 OVMSHPMLWNUJCO-NRFANRHFSA-N 436.468 1.676 30 10 IDEE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868774983 WPNZVVZXBDZMBB-KRWDZBQOSA-N 445.589 1.643 30 10 IDEE CCOC(=O)CN(C)C(=O)[C@@H](CC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868795947 PDXUDSAFKVWLSU-SJORKVTESA-N 434.562 1.941 30 10 IDEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(C(C)=O)CC3)ncnc2n1CCOC 1873559744 PQELMKDJMYZHMB-UHFFFAOYSA-N 426.521 1.560 30 10 IDEE CN(CC1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ncnc2c1cnn2C 1891618022 CWIUPWIMUYCLOH-UHFFFAOYSA-N 425.518 1.772 30 10 IDEE CC#CCN(CC(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1900622233 SAFSPMFVKHCNRU-HZPDHXFCSA-N 425.526 1.733 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1909077695 DMVUAAFEXZHJDV-GHMZBOCLSA-N 427.317 1.667 30 10 IDEE Cc1cc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247831635 BEVUWYDUWFWNEF-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE C[C@H](COCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248415051 UIKMDNRGCGOZRG-LLVKDONJSA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2255652046 ONAAXJJFILEPDG-KBPBESRZSA-N 430.314 1.371 30 10 IDEE Cn1ncc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2255824809 PBBYKUYDZCMBFY-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255840404 MIMIHDHBXYLCAF-QGZVFWFLSA-N 428.342 1.774 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256066544 DLYCSZVNLHTBPM-KBPBESRZSA-N 432.330 1.809 30 10 IDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256616893 FRTIRQLGALJZAZ-ZDUSSCGKSA-N 437.302 1.791 30 10 IDEE Cc1nc(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256670971 MFOGSDPLQZKQNP-AWEZNQCLSA-N 436.318 1.298 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267270115 JORGFWMYVFMOMA-ASSNKEHSSA-N 447.345 1.244 30 10 IDEE Cc1cc(S(=O)(=O)N2CCC[C@H]2C2OCCO2)sc1B1OC(C)(C)C(C)(C)O1 2267354447 QCRVWXKDGDSUOY-ZDUSSCGKSA-N 429.369 1.882 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@]1(C)CNC(=O)OC(C)(C)C 2267581562 SONQZMXASILQAH-NRFANRHFSA-N 449.361 1.634 30 10 IDEE COc1[nH]c(=N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339787928 IHAYGSYSGKFTOB-HOTGVXAUSA-N 449.357 1.594 30 10 IDEE NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2ccccc2C(=O)N2CCOCC2)C1=O 13555448 SOCIZXRHMPELIZ-MOHJPFBDSA-N 436.497 1.417 30 10 IDEE C=CCOC(=O)c1sc2nc(CN(CCOC)C[C@@H](O)COCC)[nH]c(=O)c2c1C 36206773 AAUDGXQLSRDGKG-CQSZACIVSA-N 439.534 1.482 30 10 IDEE C[C@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](O)[C@H](O)CC(=O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 138607965 GSHRIMVVNMWBSA-CWLFYXJTSA-N 434.529 1.439 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC1 433603362 IORMMNOVYKBGKA-GOSISDBHSA-N 442.545 1.210 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(S(=O)(=O)c1ccc(C#N)c(Br)c1)C2 481244085 ZPHOGYFVMUVWDG-BLLLJJGKSA-N 429.292 1.521 30 10 IDEE COc1cccc([C@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 484817209 SSEIUTMFESBIFU-MGPUTAFESA-N 429.498 1.834 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)C2=O)cc1 488275185 WFPNMRICRHWEOZ-QUCCMNQESA-N 437.475 1.442 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C)CC1 508518939 HBQGCOPHWKNNLA-UHFFFAOYSA-N 449.353 1.677 30 10 IDEE CCN(CC)C(=O)[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 537250924 MNMDUMSBQMKWFY-RTWAWAEBSA-N 429.540 1.867 30 10 IDEE CCOCCCn1c([C@H]2COCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 569870416 BXEPCSANYISJDC-GOSISDBHSA-N 427.509 1.386 30 10 IDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 573269571 NWRNEUPTAIBNNB-UHFFFAOYSA-N 426.521 1.736 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cscc2C(F)(F)F)c(=O)n1CC(N)=O 584145338 UFORUZZXXXSXME-UHFFFAOYSA-N 441.456 1.348 30 10 IDEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)Nc2ccccc2C(N)=O)sc2c1CCCC2 586345570 ULYWBHDSWPTYQS-PMERELPUSA-N 444.538 1.923 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)NCc3ccco3)cc21 586357114 IWNKMJJKVPXMML-NGFNCXNUSA-N 430.482 1.827 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 590914570 BGIRDSHRFDUJEE-IBGZPJMESA-N 439.581 1.926 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)/C=C/c3ccccc3C#N)ncnc1-2 729459498 SDDCQOMVZJJGRG-RHIKZFMCSA-N 426.278 1.612 30 10 IDEE CO[C@H](C)CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140527 XFJAMZMLOPFGDX-CRAIPNDOSA-N 431.562 1.983 30 10 IDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 731213399 AZZWHOGBDDWRRG-OALUTQOASA-N 432.542 1.634 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 731862552 GXNDFRJZZMAJSK-KRZJZYHWSA-N 447.289 1.445 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 734972488 CWAUJJSIWBACKO-UHFFFAOYSA-N 433.467 1.773 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 754940347 IZGZCFYFNPYFPM-KRWDZBQOSA-N 442.520 1.118 30 10 IDEE CN1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 765309952 JOHSNNJJPNCULW-LPHOPBHVSA-N 434.468 1.565 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)C[C@H](C1)C2=O 767748080 YUJIABGTXMVDMC-OUNWNQDZSA-N 433.505 1.800 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771448208 UAIOSGONOZPFFL-OYHNWAKOSA-N 444.488 1.322 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccsc3)c2=O)cn1 790434798 VDSZZHAHHUZYLO-UHFFFAOYSA-N 439.566 1.692 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807249709 DGHDSHYYROAXBK-INIZCTEOSA-N 446.554 1.443 30 10 IDEE CC#CCS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 810778026 UVIDPLLEZAZKEG-CQSZACIVSA-N 449.348 1.072 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1CCOC1 812384915 KEBPUONTCKEMIN-NRFANRHFSA-N 446.555 1.345 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 814140562 VRXSYMNXAKRNRD-CVEARBPZSA-N 432.477 1.779 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856531203 MWTNPJCYNQVAQX-UONOGXRCSA-N 449.330 1.860 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 856603247 FTVWWFFZIDPWAR-ZWKOTPCHSA-N 428.514 1.142 30 10 IDEE O=C(O)CCNS(=O)(=O)c1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)n2)cc1 916545529 MFGWGXBSDWNGDZ-DHZHZOJOSA-N 426.454 1.916 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1138107901 FSBFTNOZRZQAED-STQMWFEESA-N 442.563 1.414 30 10 IDEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c([N+](=O)[O-])c1 1162095679 XLFNWVDXOBWCHX-UHFFFAOYSA-N 427.364 1.790 30 10 IDEE COCCn1c(N)c(N(Cc2ccccc2)C[C@@H](O)CC2(C#N)CCC2)c(O)nc1=O 1167742063 WQOOUWVWUSDXKN-KRWDZBQOSA-N 427.505 1.629 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@@H]2CCCO2)cc1 1178558308 WXKAEANZXURJQB-UHOSZYNNSA-N 434.514 1.171 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)CC1 1225319619 RMLYLCBINYJDQJ-ZDUSSCGKSA-N 433.361 1.719 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1286480405 VMITVJFXGMUHBY-SFYKDHMMSA-N 427.597 1.495 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1)C1CC1 1286736130 APLCBGPWJMYYBX-SFHVURJKSA-N 438.598 1.252 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286756466 NEZUSXVKSDGYID-DEOSSOPVSA-N 449.559 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286787395 UOBOORVQUZXUDB-UHFFFAOYSA-N 437.552 1.711 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCS(=O)(=O)C1 1286793776 LWBPEKYTJLTRQO-AAEUAGOBSA-N 441.464 1.003 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286824669 ZRTJOCWQBLUSGB-ARFHVFGLSA-N 429.612 1.955 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286832323 JYQGHBCFMJPISH-JLTOFOAXSA-N 434.566 1.516 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1286959388 GETHVZGZNOBFTR-JCGIZDLHSA-N 446.939 1.997 30 10 IDEE CC(C)Cc1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1287410971 LSHYQRIGTYTITO-MRCUWXFGSA-N 430.553 1.992 30 10 IDEE Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)s1 1289855559 FXPCWYRQTLSNNR-UKRRQHHQSA-N 438.579 1.869 30 10 IDEE CN1C(=O)NC2(CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)C1=O 1293828927 ZBEBUZCJWVYVOU-ZDUSSCGKSA-N 429.864 1.107 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1298217843 CFLPBQNHZHADQB-UHFFFAOYSA-N 437.508 1.256 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CC2)cc1 1300126357 DORURNLCNQCVRV-VPTFNQTCSA-N 429.546 1.712 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1300487043 DXUDWWQBKIWJLE-CMKODMSKSA-N 441.557 1.948 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300495645 IZGWLBHKFAQXMI-RBUKOAKNSA-N 435.594 1.285 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1300548017 VJZWMSYBPJAVBV-KRWDZBQOSA-N 428.537 1.948 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1300581644 VXESYZBNEMEDEQ-GOSISDBHSA-N 425.514 1.166 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1300631404 QJMWMKWMMZLEMZ-KRWDZBQOSA-N 439.488 1.397 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1300671089 BSRJKPKZBYXYTF-IBGZPJMESA-N 425.489 1.403 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(=O)(=O)CC 1301312510 FEIQXRPYSTXNNA-GASCZTMLSA-N 442.586 1.610 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(=O)(=O)CC 1301490462 UDLARZPRHORRGA-UHFFFAOYSA-N 426.930 1.167 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1301500863 QDMXTCWVTYPZEJ-QZTJIDSGSA-N 432.569 1.955 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCC2)C1 1301538665 JSQVESLDDOYHCD-HZPDHXFCSA-N 426.587 1.154 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](OC)C1 1301577893 PNJDBWBDGXRBQJ-INIZCTEOSA-N 434.518 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301586721 IMGGGJUEAUQKBA-UHFFFAOYSA-N 447.609 1.811 30 10 IDEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)s1 1304782027 AXYGPHGVFNIXBA-OAHLLOKOSA-N 429.531 1.648 30 10 IDEE Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)s1 1304784840 HLZBIQFLZJIXGZ-ZDUSSCGKSA-N 438.517 1.604 30 10 IDEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1305843340 DNQGYKKHDVICCI-MRXNPFEDSA-N 425.493 1.360 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]2CCO[C@H]2c2ccc(O)nc2)CC1 1307991294 GOUMPFAKWZPLAQ-VIZSFHNOSA-N 439.491 1.755 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)c1 1309732183 SPXRJFVXLZYKSN-VQTJNVASSA-N 444.509 1.885 30 10 IDEE CCN(CC)C(=O)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1 1313634182 HEBXITNOSQXXMV-FQEVSTJZSA-N 448.531 1.938 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@H]1C 1316129724 RADUBNMPRGFVOX-QGZVFWFLSA-N 425.537 1.500 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC[C@H]2CCOC2)cc1 1316533477 RDQCAEUSUUEARA-KRWDZBQOSA-N 431.518 1.390 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC=C)C1 1358913006 CXDASVYYSUGPRZ-QZTJIDSGSA-N 437.566 1.196 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1358957002 OEHYQDZOJILUOY-HZPDHXFCSA-N 448.593 1.771 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1358985066 OBKNTNQSWZWQCN-SFHVURJKSA-N 442.589 1.660 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1358999999 JIELJBDTYDRRGD-IRXDYDNUSA-N 430.578 1.799 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359137622 VILSLIHDJLNVLR-BBWFWOEESA-N 428.555 1.218 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN2CCCC[C@H]2C1 1359304657 FFSHYVWQDYYRSV-SFHVURJKSA-N 440.548 1.842 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCOCC2)C1 1359323784 WUQDOHNMPIPZAO-IBGZPJMESA-N 426.521 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1359331586 DGKMPRFQDSFEDU-KRWDZBQOSA-N 428.518 1.338 30 10 IDEE COc1ccc(OC)c2c1CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C[C@H]2O 1441104149 XQWFYAHOVPDSIH-MRXNPFEDSA-N 434.445 1.830 30 10 IDEE C=CCC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OCC 1449694182 KEIHMCSKTSDHOJ-QMMMGPOBSA-N 425.326 1.786 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(c4ccccc4)C[C@H](O)C3)CC2)cc1 1464040604 WMXUWIZVOZNHLL-IQGASKDCSA-N 425.510 1.484 30 10 IDEE C[C@@]1(C2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)NC(=O)NC1=O 1478902434 TVLYQKJBGOSWBE-QHCPKHFHSA-N 438.532 1.542 30 10 IDEE CCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)o1 1498291647 BECRAKDYUIGGTG-INIZCTEOSA-N 435.488 1.948 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCn1ccnc1C 1503248135 FOACZXCLTSKTTP-UHFFFAOYSA-N 427.534 1.893 30 10 IDEE CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1505257575 MLEKAWKJOKEWFQ-HNNXBMFYSA-N 443.581 1.546 30 10 IDEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CC2(C(N)=O)CCOCC2)c1 1505316831 BKCGNLQMOPIGDT-UHFFFAOYSA-N 438.532 1.840 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N1CCOCC1 1507522113 AZEPLMJWFKSTRK-MRXNPFEDSA-N 427.505 1.669 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507572732 VUWXFIKOFYAXFU-INIZCTEOSA-N 441.540 1.142 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1507594206 AYURFSHWHLCCPP-UHFFFAOYSA-N 438.579 1.504 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507628844 INBDCYSJPNPSKE-HPGBDJQBSA-N 432.571 1.483 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1507632631 OMTKVADLBXLUGT-SJORKVTESA-N 449.602 1.725 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC[S@](=O)CC 1507703854 HCVMGARMEFWSDU-AREMUKBSSA-N 442.383 1.901 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1)C1CC1 1507988546 UHCYJTIZQSRKGI-HOCLYGCPSA-N 433.534 1.883 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1508088586 HGGHSAWKSFTSTP-OALUTQOASA-N 429.613 1.843 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 1508089731 FWFMIFIUFRNHIM-AWEZNQCLSA-N 439.488 1.397 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1508135009 COJRYHDRRQZTRP-HXUWFJFHSA-N 433.534 1.256 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccn(CC)c1=O 1513973463 CIJIWMDRRJMRHC-LJQANCHMSA-N 431.500 1.761 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1517516538 DEIDRRBVDXQBDZ-VQTJNVASSA-N 438.532 1.831 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCOCC(F)F)cc1 1521111045 UKFFLVHOWACOJQ-HNNXBMFYSA-N 448.430 1.651 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3(N4CCOCC4)CCOCC3)CC2=O)cc1Cl 1528288428 AXICEPCVIDJAPJ-KRWDZBQOSA-N 446.935 1.562 30 10 IDEE CN(C)S(=O)(=O)C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(F)(F)F 1532298227 TXKKKBHWAXCAHP-RYUDHWBXSA-N 444.476 1.512 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1535345866 BFRJLVJZUYIAKQ-HNNXBMFYSA-N 430.910 1.599 30 10 IDEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(I)c1 1538760894 IZIMXGKPJNWTDV-ZUZCIYMTSA-N 446.266 1.310 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1538971429 HBDULABPMMHVJC-RYUDHWBXSA-N 430.456 1.808 30 10 IDEE N#Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)nc2n1CCOC2 1539545770 NCILIUSMBAVNFI-UHFFFAOYSA-N 435.893 1.975 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1539576857 CJKXKXDYOAAEBS-CABCVRRESA-N 440.342 1.807 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1539612817 QLSZNUJGQYWOBF-PKOBYXMFSA-N 430.553 1.554 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1539642960 KEOZHPHLSDUGRX-WERVVEIQSA-N 430.553 1.971 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1539704444 CKKABBZVMWIHGB-OAHLLOKOSA-N 448.549 1.452 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1540073569 RUFARWVIBUCIQU-CABCVRRESA-N 433.525 1.158 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540907733 GWUPOVZTSQMOBI-DLBZAZTESA-N 437.566 1.322 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541197011 QLLZTKPVFULYJH-SJLPKXTDSA-N 429.569 1.653 30 10 IDEE C#CCN(CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)C(=O)OC(C)(C)C 1546198903 IBMJXOCEIFHREX-UHFFFAOYSA-N 441.532 1.949 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552422324 KCZINBALYNDUHF-HYDGNGQDSA-N 433.969 1.939 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1554261399 BGDIQGOJHRMSPC-UHFFFAOYSA-N 440.533 1.177 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1555992766 BIXUCDWLCCUTNL-UKRRQHHQSA-N 446.449 1.876 30 10 IDEE C#CCN(C(=O)CN1CCCC2(CC2)S1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1558370898 UFARLNJAUXZYRR-UHFFFAOYSA-N 439.578 1.806 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)cc1 1561578188 FDKIJJJVNNZKLK-UHFFFAOYSA-N 438.527 1.947 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1570662405 YNAOPHKXXYCIJN-SJLPKXTDSA-N 426.560 1.030 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1583811657 IQASHKCGBWUWSK-NRFANRHFSA-N 427.526 1.594 30 10 IDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1587635677 RHZXGVBUYQMNLB-CABCVRRESA-N 426.514 1.888 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1587765467 GYEIMQNAAVDPKW-FCHUYYIVSA-N 444.624 1.817 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1588049888 MWOHMSFCDZYSRT-KRWDZBQOSA-N 430.559 1.724 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCOC(F)F)CC1 1588954354 GCKAJXBCNJLYOV-UHFFFAOYSA-N 432.475 1.859 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1589567178 BDAFLTYBDRGOCN-HKUYNNGSSA-N 441.598 1.561 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594668571 IESZIINGVMSIKR-INIZCTEOSA-N 431.541 1.635 30 10 IDEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1594788244 IIDMHVCPJUJFIQ-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595330179 NSDVBQIHWUYMIN-OAHLLOKOSA-N 428.493 1.713 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(CC(N)=O)CC1 1595497383 ZTWFENCZQPZQHU-UHFFFAOYSA-N 448.474 1.941 30 10 IDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1595890228 MSXAZMYQCMIWBM-UHFFFAOYSA-N 429.594 1.393 30 10 IDEE C#CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C1CCN(C)CC1 1611145206 JJAMIWCEGQNOEZ-UHFFFAOYSA-N 432.590 1.003 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CCOCCCO)c1 1620349834 UGHDRPLKVZUYIL-FQEVSTJZSA-N 437.504 1.318 30 10 IDEE N#CCc1ccc(OC[C@H](O)CN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1620532917 YFSGEDQIVHASSF-RDGATRHJSA-N 435.524 1.996 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCN(CC#N)CC2)C1 1628350949 SNRDQCIMQMCOEU-OAQYLSRUSA-N 438.525 1.002 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cn2c(-c3ccccc3)c(C)sc2=O)CC1 1632623886 KJVHULRXFNQFEN-UHFFFAOYSA-N 426.542 1.169 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919240 WCISTBWHALMJTJ-SJORKVTESA-N 436.472 1.477 30 10 IDEE C#CCN(C(=O)c1cnc2c(c1)NC(=O)CN2C)C1CCN(C(=O)OC(C)(C)C)CC1 1638330898 FHJJNLQMILXXLV-UHFFFAOYSA-N 427.505 1.945 30 10 IDEE C#CC[C@@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1)C(=O)OC 1642410394 CHCWWNLXCQQHDR-SWLSCSKDSA-N 437.290 1.598 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 1643552456 OSFILKNGWGISBV-MSOLQXFVSA-N 440.443 1.862 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 1643552457 OSFILKNGWGISBV-QZTJIDSGSA-N 440.443 1.862 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@](O)(CC#N)C2)C1 1643609608 OCBQADMPMQFVBZ-NHCUHLMSSA-N 439.509 1.211 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)s1 1649371000 YWFFAHWXORMFDX-CQSZACIVSA-N 448.570 1.249 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C2(CC2)C1 1653752979 KGAOPDMIZLNJJY-INIZCTEOSA-N 434.518 1.352 30 10 IDEE C#CCn1ccc(CN(CCOC)Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 1659654051 ACZWUYWMZMZYML-UHFFFAOYSA-N 441.351 1.575 30 10 IDEE Cn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 1663330300 HRERUKYCYOTMNI-MRXNPFEDSA-N 442.522 1.946 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C1 1666053680 WFKIEXVCRARANA-GOSISDBHSA-N 439.603 1.546 30 10 IDEE C#C[C@@H](CC)NC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1682896606 GOJQNXCQHBBBDD-LBPRGKRZSA-N 440.909 1.099 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2)c1C#N 1683429434 ZWYATJQOFWNEHB-UHFFFAOYSA-N 439.545 1.880 30 10 IDEE C#CCN(C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1685818972 IUKJULZJOSRXCK-YRNRMSPPSA-N 425.551 1.750 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1689892676 KZWYHCYKDPZWDL-LJQANCHMSA-N 436.564 1.957 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1689946363 PVFBHFCDEOLVNV-APWZRJJASA-N 432.594 1.823 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689997008 UDXXTEQKPFGHKR-MRXNPFEDSA-N 438.500 1.962 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1690094006 PVJYXLZHNWHNTE-IAGOWNOFSA-N 447.561 1.541 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690734026 UBERXDBUDDNBGJ-ZWKOTPCHSA-N 436.626 1.883 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1690942147 GIMGPLFOZSCQSH-GOSISDBHSA-N 449.519 1.258 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCOCC1 1696676336 LEOFGEZJEXFYCK-HXUWFJFHSA-N 437.548 1.850 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1705474919 HLDBWXJAHILZKM-MRXNPFEDSA-N 426.496 1.470 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705572327 XSQFXTGBCULJEV-IEBWSBKVSA-N 430.530 1.813 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1705673081 PDOQIUXFVCTELL-PGRDOPGGSA-N 441.557 1.814 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705832435 XRAYANYPORBDEY-GOSISDBHSA-N 433.553 1.768 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)c(F)c1 1705843251 ASZCOGNDEVSKKP-KRWDZBQOSA-N 439.513 1.429 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccsc2)CC1 1705903091 PZZDHAMQPDVHQI-SFHVURJKSA-N 430.578 1.858 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 1705923480 HEWRNQROHGZNHV-MRXNPFEDSA-N 426.583 1.588 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)C1 1705926019 XGLSAXZPACCBMW-CABCVRRESA-N 449.524 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccco2)C1 1705928171 MTXOXJCSWLAIEA-MRXNPFEDSA-N 433.534 1.702 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(CC4CC4)n3CCSCCCO)CC2)c1 1712881902 NQBOVYSODALOLR-UHFFFAOYSA-N 427.578 1.939 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCOCC1 1722346785 WUPCACREEAANCS-UHFFFAOYSA-N 431.562 1.529 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1722361013 DORQHJSRWCPSIW-LJQANCHMSA-N 427.530 1.868 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722363482 UKSPWPIZDFNLBN-HNNXBMFYSA-N 432.502 1.071 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1ccco1 1722423556 HSORJLCAYBSYNT-UHFFFAOYSA-N 437.456 1.783 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)N(C)CC)CC1 1722433721 DZIUYDMMCLYEBE-UHFFFAOYSA-N 445.365 1.941 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NC(C)(C)C)CC1 1722439806 QFTYPHRFYFCCGG-UHFFFAOYSA-N 429.594 1.694 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@@H]1CC 1722502327 IGCUGQLUUIVHLQ-BJLQDIEVSA-N 427.553 1.836 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722592822 ZSLBWAYNWJPMSR-GOSISDBHSA-N 432.569 1.959 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCC2)C1 1722602707 BIMBMEZFMCFLID-KRWDZBQOSA-N 439.582 1.727 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)n1 1726138245 KLFIAKXLZPGXSH-MOPGFXCFSA-N 429.525 1.312 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729299627 CHPGCXOLXZFPFB-UHFFFAOYSA-N 447.547 1.745 30 10 IDEE COc1ccc(OC)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1730184856 ACHZQIMLVARCNE-KBPBESRZSA-N 436.538 1.550 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCC1 1740555669 NIMUDWCWNYRODK-INIZCTEOSA-N 426.546 1.942 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1740622941 LELFDVOPTOIOCD-RBUKOAKNSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1740628089 NDPPHQZKDYOAFA-HZPDHXFCSA-N 435.575 1.764 30 10 IDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1740711160 JILDQENCJWEOQO-UHFFFAOYSA-N 437.367 1.691 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740717570 WCDCHIJJMMPCOJ-QZTJIDSGSA-N 437.635 1.611 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1740764982 MUMJHMSNFLNDLO-GVDBMIGSSA-N 425.555 1.192 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740791897 AZSIQUQAQBUUJI-SQNIBIBYSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnn(C)c1 1740953257 ZREDWUHGXQNLCA-UHFFFAOYSA-N 447.341 1.718 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCCOC1 1740955898 DBIYHYAFPXRDCL-INIZCTEOSA-N 437.508 1.086 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC(=O)NC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1746685102 MQRYVNHPDYQAER-JOCHJYFZSA-N 442.520 1.796 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748756841 XVLWHEVCFVNUEQ-KNQAVFIVSA-N 435.576 1.666 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1748801497 BBPMBCDMLQXUAS-HNNXBMFYSA-N 440.485 1.193 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1748999687 BSLXGCIBBHABEZ-RBUKOAKNSA-N 441.532 1.161 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749140399 OQGMZQHKJGGQFJ-RYRKJORJSA-N 444.540 1.328 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1(C)C 1749193083 FCHVCFXUEKVJAG-IBGZPJMESA-N 438.532 1.927 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1749401641 BFKYHVLEMWULKR-ZWKOTPCHSA-N 441.598 1.829 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749408752 LDDBBXMOXCSDFO-INIZCTEOSA-N 447.565 1.657 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1749493436 FJYCMIFURIWWEZ-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1)C1CC1 1749519996 WJPOCFNHJMYOMA-DOTOQJQBSA-N 425.555 1.192 30 10 IDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1)C1CC1 1749525116 HUMGSGWMCCCECN-UHFFFAOYSA-N 444.561 1.707 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1749655253 GEDMQOPWVCTLSQ-HNNXBMFYSA-N 447.561 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749656038 YLXCFTOAEWPXBO-QHCPKHFHSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)c2ccccc2)CC1 1749668966 BAXZWMUHUGVQBB-LJQANCHMSA-N 437.548 1.637 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1749671863 LQFHLWPBYORYMQ-HNNXBMFYSA-N 434.566 1.624 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749683545 XBSSGKZCXCQISQ-LJQANCHMSA-N 444.580 1.907 30 10 IDEE CC(=O)N1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1749809045 AYDACKOMKZTSNA-HXUWFJFHSA-N 435.532 1.996 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[C@H]2C)CC1 1749917391 GFIVHUOROAUKIB-XLIONFOSSA-N 437.548 1.357 30 10 IDEE COCCOC1(Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1750032756 LJWVIOWVRVSBRO-NRFANRHFSA-N 444.511 1.918 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1750056949 MWAACVWTFQZBMU-IEBWSBKVSA-N 445.545 1.493 30 10 IDEE CS(=O)(=O)CC1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750196960 AGIIGOPXSYCYII-KRWDZBQOSA-N 433.509 1.562 30 10 IDEE CC(C)c1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750630791 YQDHPGQXRWRCGC-YGCDDZCOSA-N 437.504 1.981 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCO)c(OC)c1 1760119463 AEYHZRGEURTSOW-INIZCTEOSA-N 427.505 1.286 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760137800 MXZUDDYOWSESCS-UXHICEINSA-N 428.581 1.718 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1760184432 XFFDZYGVRXAYRY-CRAIPNDOSA-N 429.546 1.566 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1760186932 SAQMSISNQVGPHJ-SFHVURJKSA-N 430.578 1.613 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1760188407 PBPADDXHQUIVOD-RBUKOAKNSA-N 446.577 1.811 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1760195050 VSSBIBFEGHMAAB-AWEZNQCLSA-N 435.937 1.671 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1760208690 XXRULVLSOKYEEA-BGYRXZFFSA-N 440.592 1.865 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1760282280 YZXMKXFINDWTET-IKGGRYGDSA-N 439.607 1.356 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C(C)=O)CC1 1760340184 NTTNIWSSYLNGFF-PMACEKPBSA-N 434.585 1.569 30 10 IDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760411870 RSNQMCBBKUYDAZ-INIZCTEOSA-N 444.536 1.949 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H](C(N)=O)C1 1760527550 AFYGPUGCSYBGDS-QGZVFWFLSA-N 426.521 1.423 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H](O)C2)C1 1760535511 SBSWWGPKEYVXOC-VVLHAWIVSA-N 427.571 1.221 30 10 IDEE CC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1765145597 MSCAUOMOPUPPBV-LTDXQCTPSA-N 448.549 1.085 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCCC2(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1770020820 QSJHWEXLZWBMNQ-DXQAYGFFSA-N 432.525 1.907 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1OC 1771337415 GESFOGICRSMLBN-NRSPTQNISA-N 438.532 1.925 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 1858964552 FSJXVLWHVIUANR-UHFFFAOYSA-N 447.425 1.582 30 10 IDEE CCCn1cccc(C(=O)N=c2nnc(CCC(=O)Nc3ccccc3C#N)c(O)[nH]2)c1=O 1860862007 RCSRVXHXRQPNRT-UHFFFAOYSA-N 447.455 1.266 30 10 IDEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155641 XOFXPIMVJQNWIW-UHFFFAOYSA-N 435.331 1.421 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1C[C@@H](C)O 1870535206 LBFVZNRVNRSHEO-LJQANCHMSA-N 434.581 1.240 30 10 IDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619412 LRNRIVQJUYXMFY-UHFFFAOYSA-N 426.481 1.196 30 10 IDEE Cc1cnc(N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224092676 CTYQQCSJTSPKSW-UHFFFAOYSA-N 432.330 1.258 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCNC(=O)OCc1ccccc1 2243383668 AUQYFCFZSIHVEU-UHFFFAOYSA-N 442.325 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2243387132 NXUGOYUEKFDPKK-UHFFFAOYSA-N 425.316 1.723 30 10 IDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247954362 ZTPDFPLAXCUTMH-UHFFFAOYSA-N 438.355 1.883 30 10 IDEE C=C(CS(=O)(=O)N1CCOC[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247985173 CSLPIQWRKBTXAX-HNNXBMFYSA-N 446.375 1.729 30 10 IDEE Cn1nc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255624327 DJJBDRUYLYZRLG-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255626435 GFXLBLZCGFCGMM-ZIAGYGMSSA-N 432.330 1.552 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2255711298 XJGGEKHNBAXWRH-GFCCVEGCSA-N 429.248 1.845 30 10 IDEE CON(CCCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255829520 QJWGUBCYYMJSND-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255844219 SPNHFKTWKHGMAL-AWEZNQCLSA-N 432.330 1.763 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256917311 SWMGGPIZKNSVMB-CZUORRHYSA-N 429.282 1.497 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267141453 WWUOCCSKFUGMEG-SFHVURJKSA-N 440.353 1.730 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)n1 2267185664 YOLXBLYOKQSKQV-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2267278236 ZWJYBXIGQSGAFE-ZBFHGGJFSA-N 449.357 1.974 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267506168 TXLGBOLJRQDRNK-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267515813 UMEUWQXAZUDJOB-SQWLQELKSA-N 446.357 1.847 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267596008 HQGCNOVOSLMGLE-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267601413 VHJMVYUYODRGJE-RDJZCZTQSA-N 449.357 1.688 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN(Cc2ccccc2)C1 2267604744 PFOGOFOABGBPIG-SFHVURJKSA-N 439.369 1.851 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 2315614306 RUGCMIKGMNOPAP-UHFFFAOYSA-N 432.330 1.412 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)n1C 2337187232 CBJZQFCJIOOGKW-QDMKHBRRSA-N 446.357 1.623 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2339879302 TYRJVSXTYCJZKM-OAHLLOKOSA-N 449.357 1.959 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 29153040 WCMCPIBKCFWQIP-UHFFFAOYSA-N 431.281 1.586 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccc(CC)cc3)s2)CC1 29710662 NFGDEIZZSCVECW-UHFFFAOYSA-N 428.562 1.773 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3C#N)n[nH]2)cn1 59887407 SSIOCRXSHWWBQK-AWQFTUOYSA-N 425.478 1.696 30 10 IDEE CC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O 108968408 OMHXSAMFEJVCPT-POYSOVDASA-N 448.512 1.072 30 10 IDEE CCN(C)C(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447415958 CQRBTXBHWDABEH-UHFFFAOYSA-N 431.464 1.126 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 478842682 NMTWRNRYMRKETK-ZDUSSCGKSA-N 441.459 1.893 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@@H]1CCCO1 479394447 MOUJQJHWNCAYEF-ZDUSSCGKSA-N 435.958 1.609 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O 482141619 KAPNFLXLHVMSRW-HNAYVOBHSA-N 426.498 1.489 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ncn(Cc4cccc(F)c4)n3)C2=O)cc1 486504088 XVJVMOMGUOYJIO-FQEVSTJZSA-N 447.474 1.937 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 508917544 CGWGGVZPKWHBJS-GOSISDBHSA-N 441.511 1.028 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 515451498 LOUDJERVCNQHLU-UHFFFAOYSA-N 445.972 1.624 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 523671717 GNWRHTSWBHLTRS-SFHVURJKSA-N 449.492 1.764 30 10 IDEE Cn1cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1C(=O)NCC(F)(F)F 538286882 ILCFCAGFXDEGDI-UHFFFAOYSA-N 430.408 1.546 30 10 IDEE Cc1noc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCOC3)CC2)n1 550015914 WLGNAKSPOQSFRD-GOSISDBHSA-N 434.504 1.867 30 10 IDEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCC(=O)N(C)C)CC1 555263495 CPUBPVHFASEVQA-HXUWFJFHSA-N 440.548 1.967 30 10 IDEE C=CCOc1ccc(NCC(=O)Nc2nc(C)c(C(=O)OC)s2)cc1-n1cnnn1 586267362 AZNSOASIWJPPGJ-UHFFFAOYSA-N 429.462 1.829 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@@H]1CCCO1 603798919 POLIAFIQQZUFNV-INIZCTEOSA-N 429.929 1.547 30 10 IDEE COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 611247745 NOVYNDPPNCZULP-UHFFFAOYSA-N 433.461 1.762 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615489045 YFCZPIMTJGKDNJ-UHFFFAOYSA-N 444.561 1.342 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCN1C1CC1 732706503 OMCWKGMHJQPMRE-SFHVURJKSA-N 427.530 1.013 30 10 IDEE Cn1cccc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1=O 733503381 ICGLFWGLVWRTKW-UHFFFAOYSA-N 437.412 1.011 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)n(C)c1 740202628 GHADRXOPZFHIDY-SFHVURJKSA-N 433.486 1.998 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2nnnn2C2CC2)C1=O 742214875 MJZXQKLOAOOIKS-MRXNPFEDSA-N 442.549 1.208 30 10 IDEE Cc1nnc(CN(C)CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1C 742246296 ULYYANXJYWWCNS-QJOMJCCJSA-N 433.538 1.007 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)cc1 742948174 NORGVTFWQHQQOS-UHFFFAOYSA-N 449.559 1.616 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 753058796 FHUFQSPXBBSAIJ-OWAKEJGUSA-N 435.484 1.652 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc(-c3ccncc3)s2)CC1 753166471 JHTLKUPQQYWWCB-UHFFFAOYSA-N 443.558 1.982 30 10 IDEE CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 754532783 YNFRFFZPFMDADO-AWEZNQCLSA-N 449.467 1.554 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 755538717 SZWWAGVOGNHOTC-YJBOKZPZSA-N 443.504 1.337 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC2CCS(=O)(=O)CC2)C1=O 755562705 IYNMUQGTLQEIFW-MRXNPFEDSA-N 434.543 1.451 30 10 IDEE C#CCN(C(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 774156181 ZOPZMKKHOFEGGD-LJQANCHMSA-N 447.557 1.522 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCc1cc(Cl)ccc1OCC#N 789115292 SQRIYUOGIQVPNA-IBGZPJMESA-N 435.864 1.901 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc(S(C)(=O)=O)c2)c1 791590810 XXORAAQOZYAGNJ-UHFFFAOYSA-N 437.495 1.594 30 10 IDEE CS(=O)(=O)CCCS(=O)(=O)Oc1ccc(C#N)cc1I 798471153 DBAPWZRHNUCZSW-UHFFFAOYSA-N 429.257 1.306 30 10 IDEE CCc1oc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)cc1C(=O)OC 800847223 TYZADNSECQTPPZ-UHFFFAOYSA-N 444.509 1.370 30 10 IDEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 920394807 GCHHBKGUHDIIGK-UHFFFAOYSA-N 441.553 1.373 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2cnc3c(cnn3C)c2=O)c1 928713150 CUHCQBMPAFWVSF-INIZCTEOSA-N 436.472 1.625 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1130824461 MBGPODMTJPNTPW-HNNXBMFYSA-N 446.500 1.869 30 10 IDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)NCC(F)(F)F 1136340968 KMVSXZMFNIRONX-VIFPVBQESA-N 433.228 1.940 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N[C@@H]3CCN(O)C3=O)c2C(F)F)CC1 1141380174 IIIICDOFVCJHQV-LLVKDONJSA-N 444.439 1.508 30 10 IDEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156669803 IWSBBBNMHFAWCY-PJHJGJPPSA-N 427.523 1.144 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(=O)NC(C)C)C1 1168188012 VSDNZXBYIOITMB-WMZOPIPTSA-N 448.589 1.903 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 1188007417 CBCITYPMVXXRIJ-UHFFFAOYSA-N 447.966 1.679 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@](C)(CC)O1 1286297305 VOWPMTHLIHMZCG-OGNFBWPZSA-N 439.582 1.417 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286323605 IYFLSZRVYLJXCY-SFHVURJKSA-N 436.516 1.701 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1286353208 SFURNDFZKVFJTO-HZPDHXFCSA-N 432.525 1.312 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1286462260 IAXXSRFEKUWHDD-UHFFFAOYSA-N 446.515 1.254 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCC(=O)NC)CC1 1286474609 NNQFLRIHNMRDRU-UHFFFAOYSA-N 440.548 1.632 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286504399 MMJNUFTVBPQEQF-DLBZAZTESA-N 429.550 1.390 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1286596083 SPZYIFYNEKCHRM-UHFFFAOYSA-N 430.538 1.683 30 10 IDEE CCO[C@]1(c2nnc(N3CC=C(C)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1296575882 AZHNCPNPYKXACZ-ZSVKVYQISA-N 442.520 1.613 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(C)nn(C)c2C)cc1 1300295950 HGAQOWPIZHNBQW-IBGZPJMESA-N 437.504 1.993 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)[C@@H]1CC 1300385739 DGZIEHXDADWLTE-INIZCTEOSA-N 443.577 1.675 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(=O)(=O)CC 1300889047 ANBHSAFTIWIDBY-APWZRJJASA-N 439.582 1.253 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1301350247 YMKVJJVHUBJACN-KRWDZBQOSA-N 432.550 1.313 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1301491115 LRPGSNLBAWQFDO-KRWDZBQOSA-N 425.537 1.631 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301514720 MEKBMCAKHMGAIP-OALUTQOASA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1 1301566641 AJDLXUSQRVFJPZ-UHFFFAOYSA-N 439.582 1.104 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)OC(C)(C)C1 1301568359 RXTZVEOEYPGOMW-HNNXBMFYSA-N 441.598 1.801 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1314708195 LFEGVHVTZCFGSZ-QFIPXVFZSA-N 442.520 1.231 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 1318326773 OWLUERLRJCCIAL-UHFFFAOYSA-N 444.516 1.898 30 10 IDEE C[C@H](Sc1nc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cs1)C(N)=O 1352473294 DBOCIBCUGDEHJP-LBPRGKRZSA-N 430.559 1.703 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCS(=O)(=O)NC(C)C)c1 1358901895 ZJCTWCPYXWEFEC-UHFFFAOYSA-N 446.577 1.786 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)COCCO1 1358988836 FPROQHVCIMRBPN-JOCHJYFZSA-N 432.488 1.189 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1359031255 VSNWIATYCRXKDY-YADHBBJMSA-N 448.637 1.123 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359037036 SDEDJGMJXCYRKQ-JOCHJYFZSA-N 437.592 1.376 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2COCCO2)CC1 1359039394 GVBDTTRPGPQLGA-IBGZPJMESA-N 441.532 1.426 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1359062365 FNVDFQMHMUGHED-HNAYVOBHSA-N 442.486 1.672 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCCC 1359069343 JKTVBQRGWQGPET-HSZRJFAPSA-N 433.516 1.710 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359137318 MJPUYOGGIKNQSF-DMUMMCEESA-N 433.553 1.842 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359227181 VNPSBRILGIHHSA-INIZCTEOSA-N 434.541 1.879 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)nc2)C1 1359311238 VSTCFZOWSRYWDH-SFHVURJKSA-N 425.537 1.805 30 10 IDEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCC[C@@H](OC)C1 1461288708 RUEZOFIUSVYXGW-JFIYKMOQSA-N 437.518 1.355 30 10 IDEE O=C(Cc1cc(Br)cc(I)c1)N[C@H]1CCN(O)C1=O 1468372663 HORAWTJIHVHKJH-JTQLQIEISA-N 439.047 1.703 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)(F)F 1478404039 OVVBINPHFQQFNI-RIVCHTKFSA-N 436.431 1.888 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)n1 1492754129 QUKZKWDNZMOGBN-UXHICEINSA-N 442.568 1.105 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(COC)CCOCC1 1499140420 CYKCOEHXSOIUHA-UHFFFAOYSA-N 442.568 1.524 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1503275566 YCFDKWXVQDOPIF-QGZVFWFLSA-N 434.522 1.012 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(C)=O 1507521521 OCXFAUCXNPWNRK-OAHLLOKOSA-N 432.550 1.180 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1)N1CCOCC1 1507541421 JUQUULFNHMPRMN-PZJWPPBQSA-N 436.560 1.932 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1507663797 CKUCGNLEGUTRCX-KRWDZBQOSA-N 442.541 1.860 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCCC 1507687950 VOZNEFVQHKZLGF-UHFFFAOYSA-N 431.566 1.614 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)CC1 1507731139 BQEZMBINEHISLF-FQEVSTJZSA-N 443.573 1.130 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOC(C)C)CC1 1507738287 LLWVKCSVNUBPJZ-SFHVURJKSA-N 430.553 1.400 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccsc2)CC1 1507738300 MEAHIZUGSCLXKG-QGZVFWFLSA-N 426.546 1.499 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCOC2)CC1 1507742326 HAFSUPCDXUKCOF-HSZRJFAPSA-N 441.507 1.125 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1508091798 WNVFRSKAFIPCBM-INIZCTEOSA-N 426.525 1.245 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1508093104 APFUWNSNKULAHV-HKBQPEDESA-N 444.561 1.077 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1509524155 HOEPXZJYZWUQGQ-AZUAARDMSA-N 437.548 1.784 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)O1 1513547595 LPGOVBKNGUVGKE-MBOZVWFJSA-N 439.582 1.894 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1cnnn1C 1516585740 BBQAVGVVPHKLDQ-UHFFFAOYSA-N 425.472 1.329 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517674369 VFKMTZXBURWRHZ-DNZUHHBVSA-N 430.509 1.392 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2CCOCC(F)F)cc1 1521102366 USZCBEDVGZPKTD-UHFFFAOYSA-N 446.458 1.821 30 10 IDEE C#C[C@H]1COCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1525109162 IRCLKOQLYCJOJS-STQMWFEESA-N 447.376 1.772 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCN1CCN(Cc2ccccc2)CC1 1539258416 WOLXIIHZBDGGKH-UHFFFAOYSA-N 442.571 1.569 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1539266844 TUEYYNPARJKWKE-AVRDEDQJSA-N 426.542 1.551 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)c1cc[nH]n1 1539363592 SMYZWTPZKLFTOD-UHFFFAOYSA-N 429.488 1.743 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1539383752 KDBQRJSXVSBDCV-HTAPYJJXSA-N 432.569 1.876 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1539415290 CBRCUOXPQPMPRE-QGZVFWFLSA-N 449.552 1.520 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)C(C)(C)C)CC1 1539428203 NVMQTFHRUJNJHU-QGZVFWFLSA-N 425.537 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccc(F)cc2)CC1 1539430890 NKCWGQSHTWLGRQ-SJORKVTESA-N 448.568 1.586 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540033466 JEJFOOFJPNJUTD-UHFFFAOYSA-N 425.472 1.584 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540862742 IGJDMVJUBAYGQO-HBFSDRIKSA-N 445.612 1.473 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC 1540880307 CVVYSABWVRBVQQ-KRWDZBQOSA-N 437.522 1.222 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1540894151 RMFWAAHSENKELU-RTBURBONSA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCCOC2)C1 1540897226 DPRNSTPKNKOJRP-FQEVSTJZSA-N 437.566 1.122 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540901855 RGAASGLIPNEJEW-UHFFFAOYSA-N 443.533 1.015 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1541675696 UUGJNIYXJFMKRH-INIZCTEOSA-N 440.552 1.927 30 10 IDEE N#Cc1cn(CC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c(=O)nc1O 1543763635 AZFBNVRIHFTVEW-UHFFFAOYSA-N 428.246 1.649 30 10 IDEE CCCN1CCC(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 1547169453 YYLPZUHXCUSGQG-UHFFFAOYSA-N 425.585 1.949 30 10 IDEE CN(CCN1CCOCC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1554301708 CUNWEVFHIJZRQJ-VXPUYCOJSA-N 445.568 1.162 30 10 IDEE COC[C@]1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)OCCc2ccccc21 1556849959 KKEGNCUFNTVTTR-NRFANRHFSA-N 432.473 1.967 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 1564376715 QKSJFLDHUWNIGO-FPOVZHCZSA-N 447.605 1.082 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@@H]3CC3CCOCC3)C2=O)cc1 1564690289 PLRMCIXESIGVJH-SFTDATJTSA-N 426.517 1.886 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 1565635865 WLHUWCMPKGHTKI-SFHVURJKSA-N 445.585 1.689 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 1566317746 HQUOQVURPLRHQM-UHFFFAOYSA-N 448.451 1.964 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1588058924 FOWREJJUVRDUBW-AWEZNQCLSA-N 436.607 1.956 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1588124594 ODFDWKQIRUNKIT-UHFFFAOYSA-N 445.527 1.427 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccccc2F)CC1 1588733454 SXWMKXLRGMDDEL-QGZVFWFLSA-N 428.512 1.778 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1589216870 ZIDDNMCTNONPIA-XQBPLPMBSA-N 449.621 1.529 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1594760502 JVUAJFCMHXIAEY-LJQANCHMSA-N 440.596 1.895 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1595171505 VRWAIAZBPQSLOF-RTBURBONSA-N 437.610 1.715 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595516534 GBLWMJQGODNLLW-UHFFFAOYSA-N 434.504 1.142 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595577057 HWBGSUDRCCPCCQ-VQTJNVASSA-N 441.532 1.852 30 10 IDEE 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C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ccc(OCC(=O)N(C)C)cc3)no2)c1 761887345 IPGHSWSRWSVUAE-UHFFFAOYSA-N 440.481 1.782 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 774034862 CQDVHEFIPLTCLU-DLBZAZTESA-N 440.543 1.294 30 10 IDEE N#CC1(NC(=O)COC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)(F)F)CCC1 784238887 VQXSWZJTMKOZAW-UHFFFAOYSA-N 428.289 1.632 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1C#N 785560354 NOBMCPLRDCVFAD-NRFANRHFSA-N 436.512 1.681 30 10 IDEE C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 810530763 GASBOFLQUOBOQA-QZBQPBHFSA-N 429.476 1.477 30 10 IDEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)ccc1O 1084411629 ORAIIENUOPDASQ-UHFFFAOYSA-N 428.478 1.668 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](CNC(=O)OC(C)(C)C)CC[C@H](C)[C@H]2C)C1=O 1131802945 DQPGUAIWBFUWSL-ZNMIVQPWSA-N 436.509 1.504 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](CC(N)=O)C3CCOCC3)C2)C1 1137159520 BFUBCENGBUOBPL-QNOZYLDQSA-N 434.537 1.560 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1179651747 ODSGQDQESUNHMJ-KBXCAEBGSA-N 449.330 1.154 30 10 IDEE N#Cc1cccc(CN2CCC(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)c1 1212343339 DAOUWHGPLMSPRF-UHFFFAOYSA-N 434.543 1.149 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC1CC1 1286411204 OUBMZZKNZMXTRL-UHFFFAOYSA-N 436.541 1.414 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cnn(C)c1 1286415081 HQOWARKRVOUCIN-HXUWFJFHSA-N 431.548 1.615 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCOCC1 1286451946 FMMRGGIFJCIPOF-SFHVURJKSA-N 442.539 1.916 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286463436 OCVUFYKEPAPXCV-IBGZPJMESA-N 438.937 1.234 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1286466506 HKIZTTPYOJXOHW-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)O)CC1 1286473422 LSTCUEMEPDXHAP-UHFFFAOYSA-N 431.562 1.265 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1286516256 FGPMLXWLNNBRRN-YCRPNKLZSA-N 447.561 1.946 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCOCCS(C)(=O)=O 1286522004 HDAPJBNCORUHSL-HXUWFJFHSA-N 449.533 1.059 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC[C@H]2CCOC2)CC1 1286638130 VHWVRFSLVUOGKI-DLBZAZTESA-N 427.571 1.488 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1286710608 BDLVZWIVYGZCEX-HZPDHXFCSA-N 435.554 1.243 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286784736 RWDIUAISCPZTAQ-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC)C1 1286816502 FTVBWUANCWBOSA-LSDHHAIUSA-N 433.600 1.116 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)(F)C(F)F)n1 1290646946 LELDKZMUACOATN-AWEZNQCLSA-N 445.421 1.786 30 10 IDEE C[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291093058 SKDBMOVFAZLPPI-NYAYQYMKSA-N 427.509 1.382 30 10 IDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1298022025 YRNZDCFLZCFDBH-AOMKIAJQSA-N 431.489 1.785 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1300272021 KBRQLSOUCWRHOG-KGLIPLIRSA-N 428.522 1.180 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1300339772 RWMFEWKMYPXTDF-GOSISDBHSA-N 425.537 1.886 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300488039 OGIKKHXDPCTYSD-LJQANCHMSA-N 430.578 1.697 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300522332 CBZMYBNUOMEWCK-GOSISDBHSA-N 448.552 1.848 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)c2ccccc2)CC1 1300723674 ZATYMUSGIQYEFA-FQEVSTJZSA-N 449.559 1.331 30 10 IDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1301261765 LERUAUZCNNMGJE-UHFFFAOYSA-N 426.569 1.624 30 10 IDEE C=CCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301474254 WVFXOJLLHGMVLR-FQEVSTJZSA-N 441.598 1.755 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)CC1 1301482561 XBLFBTATSVMROB-QGZVFWFLSA-N 426.521 1.663 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301773467 BJIHTBXRSUWVGM-NRFANRHFSA-N 445.545 1.230 30 10 IDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1=O 1302585132 DVGQKZYUWXZUAR-UYAOXDASSA-N 427.524 1.679 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1303635510 HFPDTXUEBCDSQE-XOBRGWDASA-N 444.565 1.455 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](N(C)CC)C3)nnc12 1306908857 BPIWWQRNJKCLHB-OAHLLOKOSA-N 426.546 1.875 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N2CCOCC2)CCSC1 1358870160 HDCYDXRTWGXOSF-VGOFRKELSA-N 448.637 1.862 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccn(C)n2)c1 1358902621 UKYMHVUIKFCXSH-IBGZPJMESA-N 446.515 1.262 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1358967524 MBFVTVXVWKEIHM-ZWKOTPCHSA-N 436.578 1.842 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)N(C)CC)CC1 1359039776 VIJXGOCDMRYDNH-UHFFFAOYSA-N 426.521 1.099 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1359122117 ZAODKPRTNWIKLE-QZTJIDSGSA-N 439.582 1.440 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359135034 QGBZCERTNDZQGO-LJQANCHMSA-N 425.537 1.897 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1359281871 LIINZHRYHNCDCI-QGZVFWFLSA-N 444.561 1.823 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359294428 SYVMUGMZCZNJGO-KRWDZBQOSA-N 439.476 1.525 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1 1359299145 WPPLSJYEVIUAQN-UHFFFAOYSA-N 439.564 1.499 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1359304087 KWCSBHRZADWBKD-GOSISDBHSA-N 440.548 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(CCC)C(=O)C1 1359332007 MKKRLMKSMQYVGX-KRWDZBQOSA-N 439.582 1.222 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Cl)cn2)CCOC1 1360347740 MSADQAVCRAVKMG-APWZRJJASA-N 435.916 1.598 30 10 IDEE Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cn1 1361263997 UHTAHJBPBNFJON-UHFFFAOYSA-N 432.488 1.703 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1439980795 KHLFATSVTAHGJX-OAHLLOKOSA-N 429.498 1.589 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)s1 1451242049 XOFJLZUBLNXAQW-HNNXBMFYSA-N 444.575 1.287 30 10 IDEE Cc1cc2nc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)cc(N(C)C)n2n1 1457933161 CTEXWLUXEPOZGG-ZDUSSCGKSA-N 427.490 1.281 30 10 IDEE Cc1c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(=O)n(C2CCCCC2)n1C 1469724953 CCXSIYDZICTOJB-UHFFFAOYSA-N 431.518 1.789 30 10 IDEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1470031964 BUAZKKTTYGABBJ-KXBFYZLASA-N 437.422 1.512 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCC[C@H](C#N)C3)CC2)cc1 1470729408 KFBLDLUWPMTIPQ-QGZVFWFLSA-N 435.550 1.092 30 10 IDEE COC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(Br)c1 1471140129 FSZKENIPXUURMZ-YSVLISHTSA-N 442.335 1.716 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)CCO1 1475444034 DSOSDEUEXZPHNH-HNNXBMFYSA-N 447.439 1.324 30 10 IDEE Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1492966988 FSKGBSVHBHXHGH-VUAZUDAXSA-N 431.497 1.216 30 10 IDEE CC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1493453197 CMDMJAAFPAARDQ-CZIZESTLSA-N 443.552 1.958 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C 1503891055 LCTHMJMZJQKGPJ-ZYSHUDEJSA-N 440.504 1.634 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](COC)C2)CC1=O 1504899634 GYIRAFKCJZSMMX-OALUTQOASA-N 438.532 1.784 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507641231 ZSEVTXOIGXKOGR-INIZCTEOSA-N 448.545 1.263 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1507667516 NPKMDISIHCAWBT-UHFFFAOYSA-N 440.511 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCCC2)CC1 1507738962 JNLWWXILGDDKAI-IBGZPJMESA-N 445.589 1.646 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC)C1 1507777714 AQXSHZUROSKGSK-QWHCGFSZSA-N 436.376 1.802 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507966616 UTGTZRKGMASODR-PGRDOPGGSA-N 448.568 1.467 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1507981170 JCEBFXSOOGIJBA-HNNXBMFYSA-N 426.930 1.330 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(F)cc(F)c1 1508073708 LDGJXUAMAFIUDD-GFCCVEGCSA-N 442.492 1.105 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1508080056 IWBDDYMWKAYJIY-UHFFFAOYSA-N 432.410 1.878 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1512552499 GXHWWUDAHAYKKP-INIZCTEOSA-N 432.550 1.018 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@@H]1C 1515769789 AKYGKIVZZXJZPE-QRWLVFNGSA-N 433.534 1.228 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)C1 1516021750 BEOIJJYHSUVEDX-LJQANCHMSA-N 444.561 1.761 30 10 IDEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1516667153 GOTDMMHCMBIYIZ-DLBZAZTESA-N 437.566 1.506 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1csc(I)n1 1525466953 XKDOLGLPPPEPOT-UHFFFAOYSA-N 430.231 1.431 30 10 IDEE COc1ccc(CC(=O)N2Cc3cccc(C#N)c3C2)cc1S(=O)(=O)N1CCOCC1 1537887439 PVRDIVHMHFBMRB-UHFFFAOYSA-N 441.509 1.673 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)[C@]3(C#N)CC34CCCC4)cc2)CC1 1538128990 WJZHUTHYKURKOS-OAQYLSRUSA-N 431.514 1.783 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1539123994 BADBILOJTFNISL-MSOLQXFVSA-N 449.552 1.852 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1539212827 YCMYKLAQZZYNGW-INIZCTEOSA-N 436.509 1.110 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@H]1CCOC1 1539363702 ULQKPTFXBMJZIV-KRWDZBQOSA-N 446.577 1.893 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCN(C)C1 1539369940 QBZGVQLLQBTUMY-HSZRJFAPSA-N 446.596 1.919 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539376778 GRYAKRPZKYYFKI-SFHVURJKSA-N 437.548 1.528 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1539393018 ZIJQQRLXLGWSOH-GOSISDBHSA-N 441.507 1.843 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CC1 1539416532 OULKELCCDAMDKU-GOSISDBHSA-N 428.558 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2snnc2C)CC1 1539482507 MFFKCMHJQGNPQI-UHFFFAOYSA-N 436.545 1.438 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCOC2)CC1 1539483062 RLQXJRIQEWHJEU-QHCPKHFHSA-N 441.507 1.125 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539507725 ZWGUTCDUSFNDRN-OAHLLOKOSA-N 429.546 1.996 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1539518159 WFQXISNDWXCOFA-HNNXBMFYSA-N 434.591 1.449 30 10 IDEE CN1C(=O)CO[C@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccnc1 1539548106 HAVSWDJLYMVVPU-PKTZIBPZSA-N 433.512 1.586 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1539731289 ZKQASSXURPPIKM-QZTJIDSGSA-N 440.614 1.546 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540013456 PYAUONAGADOPJJ-FQEVSTJZSA-N 429.613 1.971 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1540866897 DPYSSDSDSCADRN-INIZCTEOSA-N 442.520 1.369 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545389855 OSOIVENYXHSVST-ZENAINNCSA-N 427.509 1.033 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1552408775 GPPOOJDCVRBDKI-ROUUACIJSA-N 444.561 1.760 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCOCC2)C[C@H]1OC 1555786705 HMWAZWGWCCVMKO-BGYRXZFFSA-N 440.548 1.778 30 10 IDEE N#Cc1cccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1555986431 KVIQTIMPTQGGPU-CABCVRRESA-N 447.421 1.210 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCSCCCO)cc1 1555989383 JHDAOFPLXWJURN-KRWDZBQOSA-N 428.518 1.573 30 10 IDEE C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1=O 1556749398 FXEZVQOVDLDCEK-GUYCJALGSA-N 427.436 1.218 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)C1(CO)CCOCC1)c1cc[nH]n1 1557225767 SPWXYHZHJJNASW-FQEVSTJZSA-N 444.488 1.340 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)CC1 1558073482 UPCBWDMOAZRFKS-UHFFFAOYSA-N 429.546 1.395 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@](C)(C(=O)OCC)C2)cc1 1562197591 PDZNKQPVIBYIEZ-IBGZPJMESA-N 425.507 1.679 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C 1587585181 DCXSTHTYSZXKFS-UHFFFAOYSA-N 429.477 1.805 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1587638115 BTFJVQHKIPSASQ-AEFFLSMTSA-N 439.582 1.276 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1588140638 ZKKJKIRIFIFKKM-HZPDHXFCSA-N 441.504 1.119 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1588224092 OZDFSMMSONYCGZ-VXKWHMMOSA-N 446.555 1.307 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H](O)C1 1588673008 KJHODBZLLKUWFU-SJORKVTESA-N 431.562 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1588812914 VASPKHGNDBZYKR-NRFANRHFSA-N 436.560 1.677 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(-n3cncn3)nc2)CC1 1588884678 JXHKXDXXHZZVDC-KRWDZBQOSA-N 447.547 1.781 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595543932 BUNFSQMYNQJQLY-CYBMUJFWSA-N 441.458 1.863 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595784097 CIZJLSWNIXRUHU-JXFKEZNVSA-N 433.534 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595797970 KHGLOLJFTDMNEW-MBOZVWFJSA-N 440.566 1.157 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCCNC4=O)CC3)CC2=O)cc1Cl 1596909568 CGAGGNRYLJTEKH-HNNXBMFYSA-N 429.908 1.971 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(C#N)o2)CCOC1 1610390961 FOTXACUPZJQCBQ-JOCHJYFZSA-N 444.536 1.600 30 10 IDEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)NC1CCN(S(C)(=O)=O)CC1 1613777964 JXSCLAXSEQEFRY-UHFFFAOYSA-N 436.921 1.375 30 10 IDEE CCOC(=O)NC(=O)C(=NNc1ccc(OC(F)F)cc1F)C(=O)NC(=O)OCC 1615947833 JCDHMPNBSZCZHK-UHFFFAOYSA-N 434.327 1.740 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1618708245 PTRXBWPFUXPKSV-LJQANCHMSA-N 449.511 1.069 30 10 IDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@@H]1CN(C)CCO1 1621798442 KCJGFQNEYRHEPE-DOTOQJQBSA-N 443.363 1.868 30 10 IDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cc[nH]n1 1623641575 VTVXNAQYDMSEPH-INIZCTEOSA-N 430.461 1.607 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)OC)c1 1624375276 PKUQWUNTPUGPOW-IBGZPJMESA-N 433.457 1.973 30 10 IDEE C=C(C)COCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1633049339 FRRCNNILMYMUQU-BBWFWOEESA-N 438.525 1.803 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc21 1636512957 XCTHWNVZBBEHCO-HRAATJIYSA-N 431.514 1.995 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639175712 YZAAJQPBBZKSJZ-SVMVAKDDSA-N 445.541 1.745 30 10 IDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)cc1=O 1652827217 KNGXCQWGZCVAGM-MRXNPFEDSA-N 432.440 1.554 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)CC1 1667045054 UIWHVSMFGDZLRR-UHFFFAOYSA-N 434.547 1.054 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)C1 1671489784 BDHYEGIJZQKQOT-RDJZCZTQSA-N 443.504 1.619 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)NCCOC)CC1)c1ccc(Br)cc1 1682356754 MSMFNBCHUYQQSM-QGZVFWFLSA-N 437.338 1.213 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)C2)nc1 1683550449 XUJZQVMEKXSRLR-IBGZPJMESA-N 447.499 1.791 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1689897770 IAAUCHDNYGSISC-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689994121 RKTQVGPNCMLARG-PMACEKPBSA-N 449.621 1.214 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690398809 HGKBVPRFRVAQHW-FUHWJXTLSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690662344 ZSXHYNCCMWOHBD-CYBMUJFWSA-N 434.447 1.516 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1690669918 SGFYOGMLPVILLJ-HDICACEKSA-N 443.596 1.084 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690672192 KXLRADBJFRCEJG-MRXNPFEDSA-N 440.614 1.277 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC(=O)N2)C1 1690712280 RGOPQNBTSLQXJV-IAGOWNOFSA-N 427.505 1.926 30 10 IDEE CC(=O)NCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N 1690974155 KPCPHOMHHPBZOS-AWEZNQCLSA-N 432.554 1.503 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1cccn1 1692520043 BUIPHDCODWVLFC-UHFFFAOYSA-N 435.492 1.238 30 10 IDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1696820912 ADSFRSDNPDNFJE-HKBQPEDESA-N 439.545 1.973 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)cc1 1697493082 GGHJJHAWCWYUIQ-VQTJNVASSA-N 426.521 1.935 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1698487974 HZIWUHGSXLQNFG-CABCVRRESA-N 445.430 1.133 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1698488662 HAEWTKCMDIKSTM-OXQOHEQNSA-N 444.492 1.605 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCc1n[nH]c(C)n1 1705621034 OVZFXXDMNOJCNE-UHFFFAOYSA-N 436.495 1.849 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1705639843 XQDSXZMVYAZASG-CTNGQTDRSA-N 426.540 1.979 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1 1705716435 LDBXDVSEOFQTSZ-GOSISDBHSA-N 440.614 1.499 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@H]1CCS(=O)(=O)C1 1705880343 BXTFTIJTLMRAEI-MRXNPFEDSA-N 428.518 1.998 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705894636 GGUYCXMYAXSQJZ-HKUYNNGSSA-N 431.585 1.083 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCNC(=O)C1 1705895441 HFFFJIXSKNLZSJ-UHFFFAOYSA-N 437.529 1.615 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1cccc(C)c1 1705902818 KBSNHBRMPDKOHV-QGZVFWFLSA-N 447.561 1.306 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(F)c1 1705927541 ALNUBBMNPHEFGC-UHFFFAOYSA-N 435.525 1.890 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1706870141 WNEWQPJZSIRTPR-JSGCOSHPSA-N 432.497 1.443 30 10 IDEE CCc1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709095320 VEIAMCHOSRRQND-BDIWWCJBSA-N 436.516 1.773 30 10 IDEE CCCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709682497 JITVIORLNNWNHV-OGLOHFSISA-N 432.525 1.691 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1711885018 IXULHXPPGWPRKS-UTKZUKDTSA-N 426.477 1.073 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1711972933 OBMYAHOWVQJJEM-KRWDZBQOSA-N 437.504 1.606 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1722333774 ZFZQUFMXTMINSN-ZACQAIPSSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1722366184 GJFSCEYHEIHRFK-OALUTQOASA-N 449.621 1.673 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)COCCO1 1722405148 JNAOQMGVZKXMHP-NRFANRHFSA-N 446.577 1.812 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](COC)C1 1722461523 GUMKQFZPQHAMBO-OAHLLOKOSA-N 435.575 1.488 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722476615 CJCJSXHLTLQDMJ-SFHVURJKSA-N 441.374 1.626 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(C)=O)C1 1722532162 DIEVEOKDVVIZPB-MRXNPFEDSA-N 430.509 1.703 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1723768837 HKXSFRVQMJSVNZ-MRXNPFEDSA-N 426.525 1.775 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1727926377 JKZPUEYGRLZYFO-WMLDXEAASA-N 431.566 1.915 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)c1 1731181109 NUSOIOYWZDPEMF-LEWJYISDSA-N 435.532 1.782 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1740558370 UVRBGYZLYSQELE-KRWDZBQOSA-N 428.512 1.618 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1740625133 MMLKNDYMPXVMOL-SFHVURJKSA-N 444.557 1.541 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1740628258 WUZIQYBMMGXSBN-RBUKOAKNSA-N 446.577 1.463 30 10 IDEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1745609561 CSYPJOQLZJEUOH-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE C#CCN(c1nnc(CC)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1748817007 CEVUMKZBYOZIDA-LBPRGKRZSA-N 426.436 1.384 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC1(C(N)=O)CCOCC1 1748859392 GWISAQJSOCQPJH-UHFFFAOYSA-N 435.528 1.774 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1749066413 JPJLQRVBPAWQNR-PFRQMTDMSA-N 439.557 1.741 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1749266411 HMVQOIFCPQSGLJ-MRXNPFEDSA-N 438.960 1.741 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C)C1CC1 1749519309 IWHHHNBZMHGZIR-IRXDYDNUSA-N 427.571 1.437 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCCOC 1749652285 KEPZIOSGMCMVNT-UHFFFAOYSA-N 425.331 1.821 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1750059483 AFQOTBZSTUUIPV-LBPRGKRZSA-N 433.318 1.719 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1750149966 RGQARIRRXHBSPI-AUEAKWCZSA-N 430.509 1.517 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760095191 IHTBFHQNVKYQII-SQNIBIBYSA-N 442.543 1.318 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1760193311 DBQUNBZROWXSSD-UHFFFAOYSA-N 448.861 1.316 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1760199159 QFAHYKSYUBYQNU-UHFFFAOYSA-N 428.496 1.848 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1760216160 CKYYSZXBGLVKES-UHFFFAOYSA-N 436.516 1.871 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760275774 IIIFZQICSZRNIC-GOSISDBHSA-N 444.586 1.701 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1760317988 BXCQSCBMRKXYCN-PXNSSMCTSA-N 426.521 1.616 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760380467 CVNWBSCYWGFGED-OTWHNJEPSA-N 439.004 1.971 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760508667 DDSKCSQYHXKPEO-LJQANCHMSA-N 447.561 1.771 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760515161 BLVLMHOMEVWNOC-LSDHHAIUSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760528657 JLSZXZBTICFJGU-NHAYFPRASA-N 444.580 1.746 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1760546419 OBQOHMPBIVCRGV-WMZHIEFXSA-N 427.549 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760552375 LQISSYPGMBLOPL-GOSISDBHSA-N 427.534 1.117 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CCO1 1760668123 LZFXCUFBTRMDRG-FQEVSTJZSA-N 426.521 1.711 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@@](C)=O)CC2)CCOC1 1761285208 WPPMPZDUFVVUNI-WFTRFAGZSA-N 425.530 1.672 30 10 IDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1762165043 DVOOTWZTTFBSID-UHFFFAOYSA-N 430.534 1.777 30 10 IDEE CCc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763041811 MDASNWDYNHMLOP-BSBNDGSWSA-N 443.552 1.356 30 10 IDEE CO[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1768208699 FKYQYQWJNMRFJM-RTWAWAEBSA-N 425.493 1.861 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)cc1 1768744272 AHMQXWHCNUKPHQ-XLIONFOSSA-N 442.520 1.315 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1769123395 AGWQDNPQZNVHCD-PWRODBHTSA-N 438.532 1.973 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1771251613 UARBGZCYKYZQQB-GHTZIAJQSA-N 440.548 1.779 30 10 IDEE C#CC[C@@H](F)C(=O)N(CCN1CCOCC1)c1ncc2c(Br)nn(C)c2n1 1850537243 SUZDPIAVOLRMPC-CYBMUJFWSA-N 439.289 1.152 30 10 IDEE COc1ccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1OC 1851159033 OWFUCFANVWEDQQ-UHFFFAOYSA-N 426.473 1.958 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562386 ARAUBHWMRVXKQK-UHFFFAOYSA-N 428.537 1.554 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532922 AHOWKZQTKSQXHD-QLFBSQMISA-N 446.313 1.349 30 10 IDEE CC1(C)OB(c2cnc(NS(=O)(=O)c3cncc(Br)c3)nc2)OC1(C)C 2158590203 MMWIOXRPYXVISS-UHFFFAOYSA-N 441.116 1.734 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](O)C1 2197488293 KJJIRTITKWTYDW-KDOFPFPSSA-N 440.294 1.992 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247883053 YSORGNWCKZNKNM-CYBMUJFWSA-N 441.359 1.572 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2247951529 JUXJVEORGVDNPS-UHFFFAOYSA-N 444.334 1.928 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248439884 CXRZBSVVJIUVRH-HNNXBMFYSA-N 440.371 1.939 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(OCc1ccccc1)C1CNC1 2255625083 MMARVWCBOFPSND-UHFFFAOYSA-N 426.326 1.748 30 10 IDEE C[C@H](CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2255694249 MNPWPSYUVNOJKJ-CYBMUJFWSA-N 437.350 1.538 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2255842853 YFKCFGAJJAHQRE-JOCQHMNTSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)NC1(C2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)CC1 2267216028 MMIXLUQXXKVCJN-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267276998 JYTSIMBYODDEBO-NKKGCODLSA-N 448.325 1.989 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3occc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267495400 LSJFDOWNNVBFCT-BMFZPTHFSA-N 448.325 1.943 30 10 IDEE Cn1ncc(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267514944 HHWZYRDKHVKGNK-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267870812 IMDIKIMTBBIFNK-PEBXRYMYSA-N 444.341 1.763 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC1C[C@@H]2CSC[C@H](C1)C2=NO 2270401820 ZMGRDPWBIGZMLU-PBWFPOADSA-N 437.543 1.564 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCC1 2315610774 HFHTVYXXQGJKHA-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CCOC(=O)CNC(=O)CSc1nnc(/N=C(\O)c2cccc([N+](=O)[O-])c2)s1 8822921 BUFOIFSNKZNXAK-UHFFFAOYSA-N 425.448 1.854 30 10 IDEE O=C(CCCC1CCN(C(=O)[C@H](CO)NC(=O)c2cc3ccccc3cn2)CC1)NO 39134246 FCUXOBSVUVNHCU-IBGZPJMESA-N 428.489 1.240 30 10 IDEE CCc1nnc(CNC(=O)CSc2nc(N/N=C/c3ccc([N+](=O)[O-])cc3)n[nH]2)o1 59878413 JAJBOUOCSUQDNC-CNHKJKLMSA-N 431.438 1.513 30 10 IDEE C=CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 410069480 DNYFZDXFNGTOSQ-MRXNPFEDSA-N 443.953 1.006 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 437045536 KJBDFEUONCRLMF-AYBZRNKSSA-N 436.530 1.675 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CSc1nc(C)c(C)c(C)c1C#N 439949613 XKBZLEYVKGKEIZ-LMSBXDPUSA-N 431.514 1.922 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN([C@@H](C(=O)O)c4ccccc4)C3=O)cc2C1=O 473706419 PCZGEDWXXUZFEA-RTBURBONSA-N 447.447 1.625 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)o1 478755020 QWZYKVOFPSHEKR-DOTOQJQBSA-N 428.510 1.489 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cn1 480108632 ZKEFDFXKHRGPLP-INIZCTEOSA-N 437.485 1.724 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1C#N 489247638 DVASVHPKAVVBAN-LJQANCHMSA-N 440.573 1.880 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CCO1 490423666 QMVNDSUTZFLROP-OPYAIIAOSA-N 447.488 1.636 30 10 IDEE CCn1cc(-c2n[nH]cc2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 494928928 IBIYRJGDURGBHV-UHFFFAOYSA-N 439.501 1.311 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)c3cc(C#N)c(SC)nc3O)C2)cc1 495710576 AAFQZHQRXMEGNU-UHFFFAOYSA-N 434.499 1.192 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 497581052 SARJBVLKZNARSI-MRXNPFEDSA-N 438.534 1.687 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(CC)c2)CC1 508937388 CHGLUILZUAYZGX-SFHVURJKSA-N 449.581 1.397 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 514439921 GYXSVTLNPKGJGS-WOJBJXKFSA-N 437.592 1.919 30 10 IDEE Cc1nsc(N2CCN(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 516351608 AQMZTCFDQSXIRH-MRXNPFEDSA-N 439.607 1.117 30 10 IDEE COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 536725150 FNOYSVNVDJJDLN-IBGZPJMESA-N 428.514 1.962 30 10 IDEE C=CCn1c(SCC(=O)NC[C@H](C)S(N)(=O)=O)nnc1-c1ccc(Cl)cc1 541064262 OBYJGNJIHXEWSU-NSHDSACASA-N 429.955 1.670 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCc2nnc3ccccn23)CC1 549799005 BGTHAGDIXKBKJG-UHFFFAOYSA-N 440.467 1.114 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC)c3cccc(S(N)(=O)=O)c3)cc2C1=O 552565891 KGPFNGLUONPACP-SFHVURJKSA-N 427.482 1.997 30 10 IDEE COCCCN(Cc1nc(C#N)cs1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 565984203 SDUMLBVWPSRNFA-UHFFFAOYSA-N 426.502 1.951 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 571693200 BNFJLSBIXBKZHN-UHFFFAOYSA-N 425.580 1.251 30 10 IDEE CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 589837409 HYXQUNKOXDQRMN-UHFFFAOYSA-N 428.518 1.034 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)cc2)c(=O)n1C[C@H]1CCCO1 603798187 KFYGTWDLHJIMGU-GOSISDBHSA-N 439.537 1.293 30 10 IDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1 608798504 MUOLMEQVCSFTTC-UHFFFAOYSA-N 442.497 1.831 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1C[C@@H]1CCCO1 610487378 NKTFYYGRYUOJIS-HYVNUMGLSA-N 439.537 1.610 30 10 IDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 612802574 QLFMZMFORRHAPI-UHFFFAOYSA-N 425.514 1.763 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccc(C)o1 685549304 DWUNVXXOHBELIK-QGZVFWFLSA-N 439.538 1.351 30 10 IDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 729332243 WZVORFGDWVRFCM-AWEZNQCLSA-N 446.978 1.679 30 10 IDEE N#Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c(F)c1 729832877 QUJNINWVKWBZID-MRXNPFEDSA-N 443.456 1.951 30 10 IDEE COc1cccc([C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N2CCCC2)c1 732441822 HQWHJMHHFCKVAV-MKSIGINJSA-N 427.505 1.658 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)CCc3ccccc3)C2=O)cc1 733857062 FIMYIOJQQHFADI-GOSISDBHSA-N 440.481 1.452 30 10 IDEE Cc1cc(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)s1 744078918 BYQJKUQDNHWTTL-SNVBAGLBSA-N 441.556 1.687 30 10 IDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 752158092 ULCLRAYXUUKOIO-AWEZNQCLSA-N 435.527 1.558 30 10 IDEE C#CCN(C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 753369140 ALTUVSQCHPMPKV-OXJNMPFZSA-N 427.567 1.856 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 758773877 SSGXXXMIYONDAH-IXDOHACOSA-N 435.525 1.026 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(F)cc2F)C1 760318803 STPYKEHRFPFWCF-WFASDCNBSA-N 439.488 1.836 30 10 IDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760406713 SWEAOHFVGRTGTI-HXUWFJFHSA-N 438.550 1.797 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 765146058 RJLUPTPMXZXIAT-UHFFFAOYSA-N 433.445 1.934 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 769852866 CSGQCYUFBYNZBT-FWHMADFJSA-N 425.482 1.949 30 10 IDEE C#CCN(C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774038287 HWGRRACPGFIQCM-GOSISDBHSA-N 435.571 1.459 30 10 IDEE CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 781517952 JMEYBLVIDNNSMP-CQSZACIVSA-N 449.305 1.763 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786683693 SSNCPXAYQFBJTN-OAHLLOKOSA-N 425.532 1.198 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)n1 788687673 JKLKOLLWXCPYCZ-UHFFFAOYSA-N 439.516 1.978 30 10 IDEE C[C@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)n1cnc(C#N)n1 798747613 KVLJKTNDQXOODO-MFKMUULPSA-N 436.350 1.560 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCOC2)CC1 812391527 JCCOUNGTMJKXDH-MRXNPFEDSA-N 438.488 1.856 30 10 IDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812441897 ILLRZBPBDNVWGM-MSOLQXFVSA-N 429.546 1.844 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 813477938 RMIPURQZOZIMHL-GJZGRUSLSA-N 446.508 1.232 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 813564110 UVBLGVBJKSUPCV-KSSFIOAISA-N 445.589 1.309 30 10 IDEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 837367022 JEXLDLRBACXZTM-UHFFFAOYSA-N 427.482 1.143 30 10 IDEE COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 853664924 CPXSGYVTOIEBTH-GJZGRUSLSA-N 445.497 1.654 30 10 IDEE CN(C)C(=O)C1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 916693714 OZQMNJHTIIBWFH-RELWKKBWSA-N 435.550 1.832 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)N(C)C1(C#N)CCCCC1 920256510 KWBUQOKYQWEHGX-UHFFFAOYSA-N 435.569 1.682 30 10 IDEE C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256668 SVPOPXHVLYVNMT-INIZCTEOSA-N 429.521 1.896 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)COc2ccc(C#N)c(Br)c2)C1=O 1126808767 JGJUPAVNOBLYGU-KZULUSFZSA-N 435.278 1.536 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C)c1cc[nH]n1 1136371720 CDWQJVIZWAZOJQ-UHFFFAOYSA-N 431.449 1.108 30 10 IDEE Nc1ccc(I)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1144428722 ALXLIDJHOJXVQY-SQFISAMPSA-N 426.214 1.130 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2CC(=O)OC)C1 1194689972 CXIUTNFPEOTLQR-HNNXBMFYSA-N 429.336 1.541 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 1214594943 ORFLSQVPGRYZME-UHFFFAOYSA-N 439.534 1.651 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1286298459 JYBHBVPALZMCOV-SSPASSIJSA-N 431.581 1.900 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1286362749 FIZOANLXXBCWTJ-HSZRJFAPSA-N 425.533 1.885 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC(F)(F)F)CC1 1286376076 FAAMPYBQQAOQSW-MRXNPFEDSA-N 447.527 1.914 30 10 IDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286376888 PQGRBDNRANKSET-CRAIPNDOSA-N 431.518 1.142 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286390105 XEKXCMKFJANJNK-IEBWSBKVSA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1286393680 MEXOFLWOIGKBFG-MSOLQXFVSA-N 443.573 1.782 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CC)CC1 1286472305 GJZNMIUVPMKQPN-NZQKXSOJSA-N 430.597 1.560 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)C)CC1 1286663234 JFBIMCYAEBGXMW-ROUUACIJSA-N 441.598 1.684 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1)C1CC1 1286738407 UPCUYDOGCHCVLU-MSOLQXFVSA-N 437.610 1.836 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SCC)C1 1286779259 HIRMKVKOOZWRSE-HUUCEWRRSA-N 444.627 1.303 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286785126 FNKIOVWDDFADIC-QGZVFWFLSA-N 441.580 1.963 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(N)=O)CCCC2)C1 1286811284 AVZKLILBMSVPQI-SFHVURJKSA-N 427.553 1.967 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286819549 NRXZFWMJDHYMEY-KURKYZTESA-N 447.536 1.772 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[C@H]2C)CC1 1288014186 JFDARHOCDLKEJV-VQIMIIECSA-N 435.532 1.646 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1Cc1ccc(C#N)o1 1288820620 JUKMVSKSJLPUDW-RRFJBIMHSA-N 434.522 1.264 30 10 IDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 1290051657 AKFSLWDUIQSTRJ-UHFFFAOYSA-N 429.454 1.731 30 10 IDEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1300300873 UZEUXNWVRFJWGC-AOIWGVFYSA-N 443.500 1.775 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300491912 JOVRVIXBICVMGK-IERDGZPVSA-N 444.561 1.303 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300538285 OPZGBHDMIFLMHO-QGZVFWFLSA-N 429.521 1.362 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300622506 ZXIHRUOXDPRLBO-RXVVDRJESA-N 436.560 1.958 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CN(C)C)c2)CC1 1300706644 QNTLYROWOONSLI-UHFFFAOYSA-N 435.576 1.266 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2ccccc2)CC1 1300723089 PNMFXPIDYRLHML-YLJYHZDGSA-N 434.544 1.999 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300983864 QZJHSJHLNJETHS-UHFFFAOYSA-N 434.566 1.841 30 10 IDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301245792 LVJKRMFZLKSINL-INIZCTEOSA-N 428.493 1.912 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 1302924856 UYLDQPAKYKSHFY-UHFFFAOYSA-N 448.423 1.023 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1302986191 FPLMYQFUGVTULK-ZWKOTPCHSA-N 442.545 1.486 30 10 IDEE CCCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1306764396 ULXXHIOVVZGRSL-KRWDZBQOSA-N 433.534 1.894 30 10 IDEE CCOc1cc(CNc2[nH]nc(N3CCOCC3)c2C#N)ccc1O[C@@H](C)C(=O)N(C)C 1308515292 CGLMGGZHQCOCGO-HNNXBMFYSA-N 442.520 1.984 30 10 IDEE N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)ccc1OC(F)(F)F 1310640855 CWPCEBFLHKBQAN-UHFFFAOYSA-N 444.395 1.718 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC#N 1315971810 CMVRIKRXFNUBRD-VGSWGCGISA-N 442.568 1.978 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1315979821 GGGXCJBTQSVRCH-YADHBBJMSA-N 442.520 1.218 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2)NC(=O)NC1=O 1321255690 INTMRLFSTMJRFD-QFIPXVFZSA-N 432.484 1.903 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358962990 ABXCVAHVPKREGS-ROUUACIJSA-N 435.594 1.283 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359057464 ZQKNIMYCJJSTQO-PKOBYXMFSA-N 446.621 1.675 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1359142412 HKRDLPMIRNSYHA-ZDUSSCGKSA-N 432.978 1.336 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC[C@H]2CCCO2)CC1 1359159382 VEZDUJJXFFJVFI-IAGOWNOFSA-N 427.571 1.630 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1359329848 WVCHBCNOQRCSRH-HNNXBMFYSA-N 431.474 1.003 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1360482413 CRXLUNHIBKZJLQ-SOUVJXGZSA-N 429.529 1.964 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1439793562 FDIIQDPNQYPRIQ-ZUZCIYMTSA-N 433.364 1.546 30 10 IDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 1444356440 MZFJFHRKKUWTCX-OBXYEHHASA-N 435.615 1.866 30 10 IDEE CN(C)C(=O)[C@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1461455266 DVVFJKDZFRPBTJ-UGSOOPFHSA-N 439.394 1.289 30 10 IDEE Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1S(=O)(=O)NCC#N 1468526623 PFLDKHLVDQNLAD-WIYYLYMNSA-N 431.489 1.737 30 10 IDEE C#C[C@H]1CCCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1470729889 OHFSVTABTQTCOZ-SFHVURJKSA-N 434.562 1.344 30 10 IDEE CN(C)CC#CCNC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1471631215 VGEKAXAYNZVCDC-IRXDYDNUSA-N 428.430 1.937 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1500987541 JADYULWBYBSROJ-BRWVUGGUSA-N 425.603 1.749 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1502689194 WQMJFHGVAZFAJE-JHVJFLLYSA-N 445.524 1.048 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1 1503603944 UISVHSJKGDSOQL-UHFFFAOYSA-N 427.534 1.664 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1504883501 BDTZTSHAPLPXMC-GCJKJVERSA-N 446.552 1.609 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1 1507515483 HRDDILPCVJRTQL-GJZGRUSLSA-N 435.550 1.606 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507551078 AAWJWWHXUUKZTR-UHFFFAOYSA-N 449.563 1.558 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507574051 LJXDNWMSYFMMIT-QZTJIDSGSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507624566 BNXXMCQOCGXVFY-SJLPKXTDSA-N 432.546 1.863 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1507654181 XHPFIQJRTBCUDH-FQEVSTJZSA-N 440.525 1.688 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnc(C)s2)CC1 1507738723 WQEPLLKHVKVDPE-INIZCTEOSA-N 427.534 1.008 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1507754887 PTKCVKUYPMUEGD-HOTGVXAUSA-N 445.618 1.935 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2c(O)nc3ccccc32)CC1 1507881446 NZKZWRPVJSRLAG-OAHLLOKOSA-N 445.549 1.800 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccnn2)CC1 1507964509 AZQUKWWWNLYPII-UHFFFAOYSA-N 437.552 1.849 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(C)=O)CC1 1508140132 GLBNIZYPDUQJSN-SFHVURJKSA-N 439.582 1.125 30 10 IDEE CC(=O)N1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1508201627 DWKKSNOMZNVKQC-SFHVURJKSA-N 429.550 1.621 30 10 IDEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1513615193 ACOMDYDWTXIQHV-KRWDZBQOSA-N 436.582 1.931 30 10 IDEE C#CC[C@@H](COC)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1534144156 BSWYIQHUHKKREB-YCRPNKLZSA-N 426.510 1.489 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1539211357 KZUPSKLBXZYIRW-QGZVFWFLSA-N 439.545 1.540 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1539221686 RDCKGBRCLZLEMI-ZWKOTPCHSA-N 432.550 1.237 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1539318723 VWKXTYBYHVZVJN-QRVBRYPASA-N 426.565 1.580 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1539407526 GESRHJLADVHCCT-UHFFFAOYSA-N 428.512 1.334 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1539514185 OVILAXWCKLZTRC-RBUKOAKNSA-N 441.557 1.880 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539712747 IXYYVRSAMOGNNI-ZBFHGGJFSA-N 428.961 1.834 30 10 IDEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539990875 AITBXUNSRIKWOR-UHFFFAOYSA-N 441.927 1.900 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1540201110 NKMRIXYUMUUPBP-CYBMUJFWSA-N 430.481 1.459 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1540868529 IQQQYQSSLMYWEP-OALUTQOASA-N 440.596 1.570 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H]2OC)C1 1540883624 CIGQMWRZIHFPSW-NXOAAHMSSA-N 427.571 1.485 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)NC2CC2)CCOC1 1541726157 UZOBMPYRYVVVJK-NHCUHLMSSA-N 434.516 1.819 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1541800751 GQXFMZXPXQOYQH-INIZCTEOSA-N 440.504 1.704 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1548315180 NTPJPKWKTLYHLV-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554207737 AVWPQVDOWPVMLU-DOXHGZAWSA-N 449.462 1.237 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[S@@](=O)C(C)(C)C 1555742995 OPWYKVAWNWMNPR-KPIDCJMRSA-N 427.546 1.991 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555806171 AUWYZFXJGZHJDL-LJQANCHMSA-N 444.561 1.020 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555985274 LVOGJWQXEWAZIP-RCJFDUEISA-N 429.456 1.488 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2OCC=C)CC1 1558073396 QQYNRDMAOWVHPC-UHFFFAOYSA-N 431.436 1.496 30 10 IDEE C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 1559899439 HWCMKOGCTOGVKY-SFHVURJKSA-N 449.573 1.921 30 10 IDEE N#CC1(CC(=O)N2CCC(n3nncc3I)CC2)CCOCC1 1584600949 WXMFPRPTIJZFLL-UHFFFAOYSA-N 429.262 1.757 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)n1 1587561924 JATYZKNJYGSGQU-ROUUACIJSA-N 428.537 1.740 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1587639175 KPUSDHIWIOYRCM-HNAYVOBHSA-N 445.545 1.147 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(=O)NC2CCCCC2)CC1 1588923675 ISQILELMQISMNZ-UHFFFAOYSA-N 426.565 1.960 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1594497637 LBDJPFGVDSOMLU-KRWDZBQOSA-N 447.609 1.843 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1noc2c1CCCC2 1611676999 HFPSQPFPRQJQAT-ZDUSSCGKSA-N 433.538 1.543 30 10 IDEE CCCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1614978265 FYIVXLNFORQQDH-ZDUSSCGKSA-N 433.310 1.963 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 1615120772 GCHWFHRGDNIQFB-UHFFFAOYSA-N 438.459 1.678 30 10 IDEE COCCN(C)CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619880782 DLOPEGXJHMHGTA-SFHVURJKSA-N 441.584 1.432 30 10 IDEE CSc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)ccn1 1620230992 GYWVUYDVVOPVJY-SJKOYZFVSA-N 439.542 1.495 30 10 IDEE CN1C(=O)CC[C@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1627041367 QUQLFFWMRJTNDP-WMZOPIPTSA-N 426.473 1.656 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 1631746969 FMPGXLIXUPLNBK-SFHVURJKSA-N 431.537 1.695 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)cc2C1=O 1632641683 LYUXODBWHXALJJ-OAHLLOKOSA-N 441.484 1.977 30 10 IDEE N#Cc1cccc(C2(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CCOCC2)c1 1633173377 VYFWSMQHRGCIJU-IBGZPJMESA-N 438.459 1.493 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccnc(C(=O)OC)c1 1634207392 BCOYTXLMJKDCLW-INIZCTEOSA-N 444.513 1.782 30 10 IDEE C=CCCC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OC 1634885176 QUVZRGGSFSIRJB-JTQLQIEISA-N 439.353 1.803 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(NS(C)(=O)=O)nc2)C1=O 1635568139 LAEYLHRKQLKYLZ-GOSISDBHSA-N 425.511 1.769 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCc4ccc(CC#N)cc4)CC3)C2=O)n(C)n1 1636451268 QHSYFIIIPKRFMB-NRFANRHFSA-N 449.559 1.817 30 10 IDEE N#C[C@]12CN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)C[C@H]1CS(=O)(=O)C2 1636512336 BUZXZHIPERZHDC-BBATYDOGSA-N 437.930 1.681 30 10 IDEE C[C@H]1CC(=NC(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)NO1 1637840328 FSBFPQMRYAETCQ-JTQLQIEISA-N 443.298 1.988 30 10 IDEE C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H](O)CN(C)C(=O)OC(C)(C)C 1639973446 AMBOGBSSVSAQBR-KFKAGJAMSA-N 444.532 1.639 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1642923400 HFTFUJOSJRLFGO-HOTGVXAUSA-N 436.534 1.646 30 10 IDEE CC(C)OCc1ccc(CNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1643944164 CJVPROBLKTUAIJ-UHFFFAOYSA-N 438.528 1.794 30 10 IDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1650697978 AMLKPTNYHLCZPM-CZUORRHYSA-N 435.864 1.375 30 10 IDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@@H](CS(C)(=O)=O)C1 1660391559 DACBWNSNBIRLII-ZIAGYGMSSA-N 425.576 1.961 30 10 IDEE CN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2CC#N)CC1 1666138834 GIAUPUJUJQSFLI-FQEVSTJZSA-N 426.542 1.416 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC 1672026922 HTQZVIXMKHYPHP-UHFFFAOYSA-N 425.507 1.553 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCC(C)(C#N)CC3)CC2)cc1 1674219557 WBPJJDAVFKHVDE-UHFFFAOYSA-N 449.577 1.482 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](N4CCOCC4)CC3)C2=O)cc1 1682226019 AOFCMHARAKMSGZ-RTWAWAEBSA-N 425.533 1.555 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C1CC1 1689831392 KLERTEUHAPUTGC-AWEZNQCLSA-N 443.577 1.531 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1689852622 IBVVWFUYIJIDJY-WMZOPIPTSA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1689993815 MBQFNIJLJQHHMS-GFCCVEGCSA-N 437.310 1.845 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 1690139963 GNTOGQQKCLFZQU-UHFFFAOYSA-N 441.557 1.488 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1690585166 FLKFYNMJWGNJEB-OAHLLOKOSA-N 433.534 1.886 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1690659669 ZNXMTAJFXYNLNJ-YVEFUNNKSA-N 429.352 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690718879 BGUQYMNWOBCEIL-QGZVFWFLSA-N 435.550 1.800 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1691987191 YLDHJIOWEPJEQC-GOSISDBHSA-N 432.550 1.617 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)c1 1696935530 DJECOIJOJOYQHC-OTWHNJEPSA-N 440.504 1.139 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@](F)(C#N)C2)c1 1697017670 FRVIQUCMKLKXFW-LJQANCHMSA-N 429.481 1.672 30 10 IDEE COCCCN(C)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697988723 LKPZAZAUGOWAOG-LJQANCHMSA-N 426.569 1.428 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1705561720 SSLNDSWOOPPSJX-DENIHFKCSA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1705571021 UOEUMEWAZHPICB-MSOLQXFVSA-N 444.557 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CCOC)CCC2)CC1 1705649078 JOWKGUVFXNYEFT-UHFFFAOYSA-N 439.564 1.851 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccsc2)CC1 1705903090 PZZDHAMQPDVHQI-GOSISDBHSA-N 430.578 1.858 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(C)C)CC1 1705907188 CXHHGDRJTGISFN-UHFFFAOYSA-N 445.593 1.350 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1706749642 ZRWBFVMQXMSZSK-RBSFLKMASA-N 425.484 1.324 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(C)CCC3)CC2)c1C#N 1707807917 REWAVNMSBBOKQP-UHFFFAOYSA-N 439.568 1.847 30 10 IDEE CC[C@H](C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1708475442 ZALPYZMZOIEXAL-ZJYNUGOYSA-N 441.536 1.425 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1711397430 OYVQMGDTZANPIT-UHFFFAOYSA-N 441.499 1.546 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)OC 1712152140 ABIZUFJUZXSMFJ-DYESRHJHSA-N 426.477 1.509 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1722292852 XJYXKNMFUIVYCI-ZACQAIPSSA-N 435.525 1.460 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)N(C)CC)c1 1722304998 KNASBDUHZRWCJP-UHFFFAOYSA-N 431.500 1.875 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)CC1 1722314334 LSSBBQUCMUIACY-UHFFFAOYSA-N 429.550 1.368 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccc(S(N)(=O)=O)cc1 1722354839 ZIHIZQXVLIWBCY-UHFFFAOYSA-N 449.540 1.476 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)Cc2ccc(F)cc2)CC1 1722437983 MKNBOEVTBMAPQX-UHFFFAOYSA-N 436.539 1.705 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1722445324 POTSWVRKNZHQOG-NRFANRHFSA-N 448.527 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(O)cc2)CC1 1722449643 NIKKWCUFUFYFMJ-UHFFFAOYSA-N 436.516 1.120 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722691825 ULZWTOKYYPZVMW-ZBFHGGJFSA-N 425.493 1.231 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1722697074 HVUBESMJIVBVML-OAHLLOKOSA-N 434.504 1.573 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722697552 LTOYZGCAFIPNSR-GFCCVEGCSA-N 425.415 1.080 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nnc3n2CCCCC3)C1 1722708879 FINJAQDAYJARLA-KRWDZBQOSA-N 442.568 1.758 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1724686949 XCJPJPRBOYLZPC-UGNPLGLKSA-N 447.499 1.433 30 10 IDEE COc1cccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1730255142 ZFNBBKKJYIZXRD-GOSISDBHSA-N 428.493 1.623 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1730401144 FMCFEPYULBNIKA-LEWJYISDSA-N 438.532 1.927 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@@H]1C 1730799142 MFISRLBIDGRQFT-KRWDZBQOSA-N 426.521 1.411 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)NC4CC4)C3)n2CCOCCCO)c1 1731179045 LPRFHQILKQODBH-IBGZPJMESA-N 439.520 1.256 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cc(CO)nn1 1740532150 XVPXRJGKCBFKPC-QGZVFWFLSA-N 436.520 1.779 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)COCCO1 1740537556 FJQBYNJFIPLLEY-BTYIYWSLSA-N 446.577 1.810 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1740636430 ZHEPICNOVCBWCF-KRWDZBQOSA-N 442.541 1.860 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1Cc1cn(C2COC2)nn1 1740643350 GOUSEYBGWNZIMP-UHFFFAOYSA-N 431.500 1.703 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1740671924 RRQKZIYQQAETOC-QGZVFWFLSA-N 434.541 1.572 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1740749899 HAEYWWFMAWPMTA-JKSUJKDBSA-N 432.525 1.476 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1740788578 WQHYBGFBWFXUQQ-UHFFFAOYSA-N 447.561 1.643 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1740905809 IBMPRHXDXFBQTQ-INIZCTEOSA-N 439.630 1.069 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1740964045 FVJPFCOTBGQXPS-UHFFFAOYSA-N 432.569 1.592 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc([C@@H](C)O)cc2)C1 1740972715 LWGQSCMNNYNYAS-FRQCXROJSA-N 449.577 1.771 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)cc1F 1740986078 RNZYZYUEQYYUSI-UHFFFAOYSA-N 441.504 1.932 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1743385129 GKEVCQQNAALWQR-RCDICMHDSA-N 426.521 1.942 30 10 IDEE CC[C@@H]1CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O 1744924067 LKHWCAFPHKLKSK-JBHNXPLHSA-N 444.536 1.907 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1748671885 NVLNJJNNBDVUHS-RDJZCZTQSA-N 425.518 1.267 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCNC(C)=O)c1 1748692196 DMDMHWBOODQZEO-UHFFFAOYSA-N 432.488 1.318 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCOCC2)c1 1748824451 BPCPCFXJWHQMTA-UHFFFAOYSA-N 446.555 1.467 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC=C)CC1 1748987275 RKPNZXBFPYMNCX-UHFFFAOYSA-N 427.578 1.960 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2CCC[C@@H]2CO)CC1 1748987432 XOTFPXGPPBMRNK-OAQYLSRUSA-N 437.592 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2cn[nH]c2)CC1 1749005914 AVRZLHRKMMMTLT-UHFFFAOYSA-N 438.923 1.925 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749361947 SCZBBQXJARKJGM-MOPGFXCFSA-N 442.495 1.629 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749676894 GYBVPHGYBQWUQO-MRXNPFEDSA-N 439.438 1.969 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCC2)CC1 1749680277 HQTDXCSZRPBQHE-UHFFFAOYSA-N 428.512 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749721676 QSGXFWYLFFXSIP-HZPDHXFCSA-N 448.549 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749738082 DQRHRKMOTZMSRD-XLIONFOSSA-N 448.589 1.880 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749755753 LGTGNEYBWDTIOG-KBXCAEBGSA-N 441.579 1.130 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1750215137 POKJKDAHSZKRHY-RTBURBONSA-N 444.561 1.761 30 10 IDEE NC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750392959 GJTQVLPLINRZQO-XMMQZVGTSA-N 435.488 1.173 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1750504766 LCTCBRNKXFJRBN-INIZCTEOSA-N 447.540 1.434 30 10 IDEE CC(C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1750886906 YRPZDPGEZXWYQD-PKOBYXMFSA-N 439.568 1.847 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1751431338 BTELCGYMTLMGTQ-QAPCUYQASA-N 447.565 1.040 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2nccs2)c1 1760127655 HMULGKYOMQBASK-UHFFFAOYSA-N 449.540 1.962 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760135697 FVUCXJWYLXBSHW-UHFFFAOYSA-N 426.569 1.473 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1Cc1cn(C2COC2)nn1 1760169015 YDBVIZWMAMHVNE-UHFFFAOYSA-N 428.294 1.988 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760188332 JWLHNOTYFAVVRC-QGZVFWFLSA-N 447.561 1.343 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@]2(O)CCN(C)C2)n1 1760251795 GMWJGFZYMPIHQH-QHCPKHFHSA-N 441.580 1.485 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760351718 KQINMBZFTLZOCB-KRWDZBQOSA-N 433.557 1.345 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760355640 QRMVSKAWJXTIPV-LJQANCHMSA-N 442.568 1.014 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1760529214 ZRFNVFFWPDRUOU-UHFFFAOYSA-N 425.541 1.118 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1760707321 MCDFNOPIYNYZCQ-UONOGXRCSA-N 434.522 1.171 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)C1 1761132744 FBZQUUDBMXNGHT-SJORKVTESA-N 443.552 1.958 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](c1ccsc1)N(C)C 1761463120 FMYIXLYLOBVTBX-IJEWVQPXSA-N 439.611 1.991 30 10 IDEE CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)cn1 1768493446 GIMXRUWBOKTZDJ-UHFFFAOYSA-N 439.545 1.807 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769390729 KSJKIARDQJFJMO-STGLLQLASA-N 439.476 1.189 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CCO1 1770944857 YMIJIULQBABBNR-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)ON3C(=O)c4ccccc4C3=O)c2)C[C@@H](C)O1 1772791328 RNJFNXQTZINYTB-ZIAGYGMSSA-N 444.465 1.853 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1 1848717999 QPOISUBPZMCGMR-UHFFFAOYSA-N 446.573 1.583 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 1849645764 ZQWIYLNWSPQUFN-CQSZACIVSA-N 433.921 1.622 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)Cn2cc(Cl)c(=O)c(Cl)c2)CC1 1851127771 WZKONMYRAFQNON-UHFFFAOYSA-N 436.299 1.787 30 10 IDEE N#C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(Cc3c(Cl)cccc3Cl)C2=O)CCO1 1851200585 MCXZXWWGFJWAPX-SNVBAGLBSA-N 425.228 1.035 30 10 IDEE CC(C)[C@@H](C(=O)N(Cc1ccc(C#N)cc1)c1cnccn1)N1CCS(=O)(=O)CC1 1851740868 XTEUGNSRYKRVEQ-FQEVSTJZSA-N 427.530 1.636 30 10 IDEE CCN1CCN(C(=O)CCON=C(N)c2nnn(-c3ccccc3)c2-c2ccncc2)CC1 1853444494 XLJCJEJPCCOPPG-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE Cc1ccc2cccc(C(=O)N3CCN(S(=O)(=O)CC#N)C4(CCCC4)C3=O)c2n1 1854421162 IGTQAVPEJAHYNN-UHFFFAOYSA-N 426.498 1.994 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3O2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644652 LPIVLFJERSPDEJ-AUUYWEPGSA-N 425.466 1.310 30 10 IDEE N#Cc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CCCOCC4)ccc32)cc1 1857180281 NAOXODAEVQYXLB-UHFFFAOYSA-N 425.466 1.699 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](CCC)C(=O)O)c(C(=O)OCC)c1C 1860760979 KVMOMYGJGCKYSN-NSHDSACASA-N 440.474 1.884 30 10 IDEE CCn1cc(C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)ccc1=O 1860879980 QBXMHIGWFMQWOV-UHFFFAOYSA-N 433.428 1.454 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862597822 WYBSTPWSQXEKSO-GOSISDBHSA-N 441.396 1.720 30 10 IDEE COc1ccc(OC)c(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCNC=O)C2=O)c1 1863376113 IVNYZHHOWWAUFD-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE O=C(NCCCn1ccnc1)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931963 NTIDDZZKDVEZDX-IBGZPJMESA-N 437.525 1.739 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1C[C@H](C)O 1870570389 YSHRCRQMANABJR-AWEZNQCLSA-N 433.534 1.581 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2OC)cn1CCO 1870642793 OAQSVZPZRZMLHF-UHFFFAOYSA-N 441.528 1.718 30 10 IDEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)ccc1O 1874431646 WWUZLTILTADSTO-SSDVNMTOSA-N 448.549 1.861 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1963877288 ONSXMZPHEHIYID-CABCVRRESA-N 425.526 1.780 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2107459844 YRDZYZBVGHFJQW-RKDXNWHRSA-N 433.137 1.290 30 10 IDEE C=CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(Br)c1=O 2126911871 WOFPXSMRPHPZTI-STQMWFEESA-N 429.315 1.974 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)C1 2247554949 WZWJWPNEQKRRFZ-XXUFKVEXSA-N 437.537 1.780 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255545430 PZIBRFFAHNESER-LSDHHAIUSA-N 434.346 1.895 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255827156 VTIJDOFAWHPPCL-CQSZACIVSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255843589 IXAZKTIYPSECJF-UHFFFAOYSA-N 430.314 1.611 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256069798 QOLXQHPLMXQNAR-LRTDBIEQSA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267195912 MMVYDDFLTALGPR-MAUKXSAKSA-N 446.353 1.943 30 10 IDEE CO[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C[C@@H]1NC(=O)OC(C)(C)C 2267264844 XKARKAWGYAIKHG-RDJZCZTQSA-N 449.357 1.688 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@H]32)n1 2267503325 BRZPDNCUCCCNPS-HZPDHXFCSA-N 446.357 1.943 30 10 IDEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267515092 JLMANVPDJJHUMQ-WCQYABFASA-N 444.263 1.248 30 10 IDEE Cn1nc(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267542309 PPSLSIDWMXXPOY-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880545 UTQZVROSDPSWAR-RYUDHWBXSA-N 442.247 1.447 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646021 RPXGBTCXHRTUHN-SJLPKXTDSA-N 446.353 1.972 30 10 IDEE Cc1scc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2303615214 GJRNNRCFJKQIIC-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2306547153 UAKISCXPORFYOS-HMFYCAOWSA-N 430.505 1.443 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H](CC(N)=O)C1 2343291707 AYJFWXPRPHVWHB-MRXNPFEDSA-N 446.357 1.682 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CCO)COCc1ccccc1 2343513757 IEGDKFBORZPGHB-SFHVURJKSA-N 443.353 1.900 30 10 IDEE COc1ccc(CCN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254818039 BDHNMUGIIQKEOJ-LSDHHAIUSA-N 426.516 1.200 30 10 IDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@H](C)n2cnc(C#N)n2)CC1 409642602 ZEYIBVIHRJDXHN-KRWDZBQOSA-N 431.541 1.104 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c1 432966515 LKBJXJIQEVAZJE-UHFFFAOYSA-N 428.514 1.247 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)c1 446353120 NFFUBSKHENZEFG-UHFFFAOYSA-N 427.486 1.670 30 10 IDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460178569 AZSQWHUMQFYWSC-UHFFFAOYSA-N 430.534 1.753 30 10 IDEE COc1cccc(N2C[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC2=O)c1 464948812 AVNWJYGMQDNTHR-JKSUJKDBSA-N 435.488 1.382 30 10 IDEE CCN1CCC(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 466098177 GFHAWOUCJMVGGG-UHFFFAOYSA-N 433.578 1.696 30 10 IDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCCOc3ccc(C#N)cc3)cn2)C[C@H](C)O1 476083315 HSQUIOCWXOQVLG-HOTGVXAUSA-N 426.477 1.591 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@@H]3CCCO3)c2=O)c1 489160005 XOMLHNAPWBJLES-SFHVURJKSA-N 446.532 1.934 30 10 IDEE Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1C(=O)N1CCOCC1 489163748 FGWZRXROUUGVFH-KRWDZBQOSA-N 449.515 1.872 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)CC1 492353281 GYTLVOKMHWIZET-SFHVURJKSA-N 448.589 1.310 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503623304 BCVZRLGPIRINKI-KRWDZBQOSA-N 432.546 1.756 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)c(F)c3)n2C[C@@H]2CCCO2)CC1 549458668 CGHRTJTWRQGALN-IBGZPJMESA-N 442.539 1.996 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 555244546 OIQVTVRGBNQTOS-SFHVURJKSA-N 430.534 1.695 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3C[C@@H]3CCCO3)CC2)c1C#N 555396058 YXRYUIWAIPVJGB-KRWDZBQOSA-N 435.536 1.703 30 10 IDEE Cc1nsc(N2CCN(C(=O)NC3CCN(CCC(=O)N(C)C)CC3)CC2)c1C#N 558601937 BCDLXOSLQKUERB-UHFFFAOYSA-N 433.582 1.098 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 558986392 LBIRDGWPFLJNRF-KBPBESRZSA-N 437.488 1.966 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 559005845 ZTBVJZZTBKVGOR-UONOGXRCSA-N 426.568 1.807 30 10 IDEE Cc1noc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCOC3)CC2)n1 559239791 KWSZGTSSUXNRCF-SFHVURJKSA-N 434.504 1.867 30 10 IDEE CN1CCN(CCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H](c2ccccc2)C1 585720482 CUPUCCUMYWFCMZ-JOCHJYFZSA-N 437.519 1.809 30 10 IDEE N#Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)c1 586054187 MNNPHJISAQJKRR-SFHVURJKSA-N 430.464 1.965 30 10 IDEE Cc1ccc(C(=O)NC2(c3noc(C(F)F)n3)CCC2)cc1S(=O)(=O)NCC#N 590431991 DCEIPFBVVMVTKC-UHFFFAOYSA-N 425.417 1.927 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 603797650 FEDWFLHNQROGCT-MRXNPFEDSA-N 427.501 1.353 30 10 IDEE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ncccc2C#N)CC1 619510192 ABKZTMAACGPPMG-NRFANRHFSA-N 446.511 1.457 30 10 IDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(OC)c4c(c3)OCCO4)c2=O)cn1 726963135 ZNPCPYNQJWTCQQ-UHFFFAOYSA-N 448.460 1.109 30 10 IDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)NC1CCCC1 732650705 CDGBZLJTBQKBKT-GOSISDBHSA-N 432.546 1.728 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 737304928 DJBOENIAIXSQCA-XUTLUUPISA-N 432.436 1.499 30 10 IDEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1nnnn1C1CC1 742213302 HAIXCTQXQHPVFK-MRXNPFEDSA-N 436.501 1.680 30 10 IDEE C[C@H](CC(=O)OCC(=O)Nc1cc(F)cc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 745496796 OAGMOKSRKOMHMG-LLVKDONJSA-N 437.424 1.964 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H]2CCOC2)C1=O 751693026 CTOVVXRTZUJSHP-RHSMWYFYSA-N 434.518 1.204 30 10 IDEE CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 754532789 YNFRFFZPFMDADO-CQSZACIVSA-N 449.467 1.554 30 10 IDEE N#Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1Cl 756204015 HLKYNENZVUGLKX-UHFFFAOYSA-N 431.845 1.804 30 10 IDEE C#CC[C@@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 757642195 PZYJBUDOMOBSIN-CQSZACIVSA-N 442.321 1.975 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(OC)cc2)C1 760305496 XTEDVQVEVBUTTP-GOEBONIOSA-N 433.534 1.567 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2ccc(F)cc2F)CCOCC1 760729459 QYKMVIQXPONQJB-UHFFFAOYSA-N 435.452 1.825 30 10 IDEE COc1cc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)ncn1 764741249 RZXPRZRDUOQKCK-HUUCEWRRSA-N 431.497 1.076 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 767674907 HEEJWNIAZNJDLJ-GXTWGEPZSA-N 447.435 1.569 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)C1=O 771446657 MTMFDNJZHQOUAB-LHSJRXKWSA-N 430.461 1.074 30 10 IDEE C#CCN(C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774177423 IDHCHGFWJUCFEU-QFIPXVFZSA-N 446.617 1.416 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2ccc(Br)cc2)C1 782948523 JYWSGXYMFSIULP-INIZCTEOSA-N 427.343 1.559 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)n1 788695399 LQGUBPPJJHZKIY-UHFFFAOYSA-N 425.894 1.794 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)NC3(C#N)CCCCC3)CC(=O)N2C(C)(C)C)cn1 796418272 ONUHKRITZGYCBA-QFBILLFUSA-N 429.521 1.994 30 10 IDEE COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802494489 CSWDMDGVQUCWAK-MRXNPFEDSA-N 434.504 1.015 30 10 IDEE C[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C1(S(C)(=O)=O)CC1 806217051 BSTJZJRMLMIZLM-JEEMYIIMSA-N 442.563 1.587 30 10 IDEE CCN1CCN(c2ccccc2NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 842879255 PNFFNICYBRSZKH-UHFFFAOYSA-N 441.557 1.896 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 846740800 NRXOIQKZBCFYQT-NRFANRHFSA-N 448.545 1.502 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 916178823 QLPIGTGFBUKVDY-HXUWFJFHSA-N 444.444 1.111 30 10 IDEE C=CC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)O 1116921465 BMESVFUMCVIDPB-KBPBESRZSA-N 431.308 1.748 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1152566086 UNBUUTPCHJTLKQ-ROUUACIJSA-N 433.530 1.566 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)[C@@H](O)C(F)(F)F)nnc12 1161719327 DTFKPYCOKDYNQN-IINYFYTJSA-N 441.435 1.750 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnn(-c3ccc(Br)cc3)c2=O)c1 1166841985 DWWMRYMYCRPAIU-UHFFFAOYSA-N 441.245 1.521 30 10 IDEE O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NC[C@H](O)C(F)(F)C(F)(F)F 1175861345 DCLDYYNUEINIQA-VIFPVBQESA-N 444.300 1.658 30 10 IDEE CCOC(=O)c1nc(N)nc(N2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)n1 1179851351 UXDLKTZFHNGPMU-UHFFFAOYSA-N 448.405 1.350 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1=O 1180978380 DHSGZKLTPGQGMD-HNNXBMFYSA-N 436.509 1.507 30 10 IDEE COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1210948939 AJBKDPHARCESMR-HNNXBMFYSA-N 443.529 1.698 30 10 IDEE C=CCN(C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)[C@@H]1CCS(=O)(=O)C1 1264995358 CPFJGTVDMHIMKJ-CQSZACIVSA-N 427.527 1.008 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1Cl 1286273914 LFMVKPZZQZXLKJ-IQUTYRLHSA-N 439.969 1.907 30 10 IDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286326919 FZWDZOYWJPYOMH-UHFFFAOYSA-N 438.576 1.891 30 10 IDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286385611 OIWBXLRWHKIPBY-RTBURBONSA-N 428.558 1.972 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286388074 XTDOYWLDUGCICP-HNNXBMFYSA-N 430.559 1.724 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1286406978 APXWTOSPNFTEGL-HNNXBMFYSA-N 430.310 1.351 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1286409571 RJPNRFAGJZGKMB-UHFFFAOYSA-N 446.511 1.196 30 10 IDEE C=C(Br)Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1[C@@]1(OC(C)C)CCOC1 1286547196 JPYGKIYSQISBRY-SUMWQHHRSA-N 430.347 1.927 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286600508 ASXQXTMWUSBYDS-LJQANCHMSA-N 433.601 1.225 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1286613913 ILMXMRNPVRLVAD-LPHOPBHVSA-N 428.555 1.146 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2cncn2)nc1 1286728488 AQDFINAKBOLOEQ-UHFFFAOYSA-N 435.517 1.916 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1286794217 ZXYBZHHQIBHNKQ-QGZVFWFLSA-N 431.585 1.011 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1286977335 HUDXFJXQVHBGJJ-JKSUJKDBSA-N 442.549 1.756 30 10 IDEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)s1 1289855561 FXPCWYRQTLSNNR-ZFWWWQNUSA-N 438.579 1.869 30 10 IDEE CCCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1294380995 OCCQAQICADVKOA-GOSISDBHSA-N 439.520 1.751 30 10 IDEE CCN1CCN(CCCCn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)CC1 1296196044 OFDAPZXRIVLUNX-LJQANCHMSA-N 426.569 1.430 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1296981349 OMCAQMKFEXTFDZ-YUMLTWSLSA-N 430.509 1.314 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)c1 1299950927 FSELUJGFADYOSF-OXJNMPFZSA-N 442.520 1.412 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300505651 DQSSERGKVAEVSC-XCDZQEORSA-N 436.578 1.960 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1300538483 QWNIEGZEGSHZMS-HNNXBMFYSA-N 435.456 1.298 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300984068 XLBHLBANTXPRLS-UHFFFAOYSA-N 435.554 1.093 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1301151517 NIMJEBVDSYOZKF-IRXDYDNUSA-N 441.598 1.829 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 1301219700 OWEFXBABHICTLG-IRXDYDNUSA-N 434.558 1.962 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCO[C@@H]1C 1301426247 QJQJIQIEVSYYBG-VGSWGCGISA-N 426.521 1.695 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301613316 VXDQHWOLMPVWRB-YESZJQIVSA-N 426.608 1.962 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1301921030 QMGRDUULVPHXBB-UHFFFAOYSA-N 435.532 1.838 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302748759 ZYHPDSIFRQGWGD-OSCRUYLVSA-N 441.536 1.523 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1305298485 LNNZIWCMZGEMGI-JKSBSHDWSA-N 440.552 1.710 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)NC1(C#N)CCC1 1307915625 VOPVLQZSJOTOEI-GXTWGEPZSA-N 432.443 1.402 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F 1309080260 XRNRKARYKJWEFM-LLVKDONJSA-N 437.898 1.467 30 10 IDEE COCCOCc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1316248485 HEYKDXBVVILHNV-GCJKJVERSA-N 442.495 1.882 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358963269 FINBSMWPQOSSFD-MRXNPFEDSA-N 433.534 1.013 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964452 ZFSSDYXPQWDOEG-HZPDHXFCSA-N 439.582 1.628 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358966816 XJUWCRMWTWNZTP-GOSISDBHSA-N 430.578 1.957 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(N(C)C)CCOCC2)CC1 1359046569 XEQAZJBJVQHAEF-UHFFFAOYSA-N 428.581 1.307 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1359049541 RMWAHIILOJYZRW-GOEBONIOSA-N 437.595 1.330 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(F)cc1 1359292686 VXCPFYYXHUIJCI-UONOGXRCSA-N 438.529 1.527 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(C)c2C)CC1 1359299550 HUFZOFOYWGKOIV-SFHVURJKSA-N 437.548 1.475 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1359472299 JJOMKPVFURODRH-MRXNPFEDSA-N 442.568 1.628 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O)S(C)(=O)=O 1359480814 CMKIYVXUTUKENF-LRAJWGHMSA-N 444.561 1.553 30 10 IDEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359585875 RAZCUURRNGWALW-KRWDZBQOSA-N 439.520 1.758 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1360477034 UWTUSYPLXBAYTO-HUUCEWRRSA-N 428.559 1.164 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)C2)C1 1442759088 PNWATMGXJGFSQC-OQXXTQHASA-N 447.580 1.477 30 10 IDEE CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1447615521 YALWLYQVUHCWCR-CYBMUJFWSA-N 433.465 1.824 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)CC1 1449059038 IBMJZRSTRRNXGR-UHFFFAOYSA-N 433.434 1.707 30 10 IDEE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cnn1CCC#N 1464250652 CRDLYORPVKIIDR-QGZVFWFLSA-N 431.518 1.493 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 1470502340 MYSHIMFQPUFKPM-OAHLLOKOSA-N 447.538 1.861 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@](CO)(NC(=O)OC(C)(C)C)C3)cc2C1=O 1472180886 UURKXLJVBFYDBJ-QHCPKHFHSA-N 443.500 1.960 30 10 IDEE C#CC[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1473788179 DSZAAEAITDBLLG-OAHLLOKOSA-N 425.938 1.645 30 10 IDEE CN(C)CCN1CCC(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1503401681 QLHBGOLHYKFAHY-FQEVSTJZSA-N 443.621 1.933 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1S(C)(=O)=O 1505055783 CZEGGWLBPSLLGU-TWMKSMIVSA-N 440.570 1.164 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1507535271 XICMORBNMFTDSY-MRXNPFEDSA-N 433.516 1.825 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1507679853 RWSOCJWXOZGHLU-MRXNPFEDSA-N 427.534 1.582 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(-n3cccn3)cc2)CC1 1507718689 GKCDNHFBNJVUAF-HXUWFJFHSA-N 449.559 1.991 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccnc2N2CCOCC2)CC1 1507742976 UHWOKEYYRCLORU-UHFFFAOYSA-N 437.548 1.086 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507883788 JEVAXLPTYDSECR-FUHWJXTLSA-N 426.496 1.869 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1508084050 GBZOVUQOBQZESS-HNNXBMFYSA-N 437.470 1.639 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1508095308 VVVVXCFWKKTSBB-UHFFFAOYSA-N 432.500 1.591 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508143873 PDVLHNOOAQZKSQ-INIZCTEOSA-N 439.582 1.889 30 10 IDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1508148217 QDKPAUNGFREQQX-UHFFFAOYSA-N 445.593 1.772 30 10 IDEE CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1512662240 KPYUJBAJNKHFGZ-NHCUHLMSSA-N 429.546 1.993 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1=O 1517408357 XXKZGDACYVYLDS-UWJYYQICSA-N 442.545 1.308 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCCC2)C1 1519593056 HXCDTFRZXQCMBB-UHFFFAOYSA-N 444.561 1.905 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)C1 1521062140 AOEGDYUHNSJDJV-GOSISDBHSA-N 429.847 1.589 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)nn1 1531381003 OSSYKWMBZCVSQE-OCCSQVGLSA-N 445.442 1.848 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1536859640 JOCZRJDHLAEWHH-CLCXKQKWSA-N 429.539 1.426 30 10 IDEE N#C[C@@]12CN(C(=O)c3nnn(-c4ccccc4F)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1538308780 UBTLYXPVPUHZPD-QFYYESIMSA-N 443.382 1.436 30 10 IDEE COc1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc(OC)c1OCC(N)=O 1538861257 CZYSNJNRDSPXKZ-LJQANCHMSA-N 425.441 1.653 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539108732 CINMTPDATATONG-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1cccn1 1539179831 SEBGDHODBNGFIR-QGZVFWFLSA-N 429.525 1.943 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1539220354 RAXLSYLLACFOIF-SFHVURJKSA-N 435.594 1.410 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539221905 SLRIZZYYCZWUBS-RBUKOAKNSA-N 444.557 1.878 30 10 IDEE CN(C)c1ccc([C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)N(C)C)cc1 1539233992 ADVWCSWXWCCPKG-GOSISDBHSA-N 429.546 1.210 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1539265699 JNCTWHHJRUQIRF-LJQANCHMSA-N 439.541 1.454 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1539735133 FZXBWKLHGUFPOV-MRXNPFEDSA-N 427.505 1.976 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1539742357 BVBWNODXQDHTTO-UHFFFAOYSA-N 428.541 1.912 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539758182 IPJSEWGGRKOIQF-GOSISDBHSA-N 428.541 1.288 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540872395 OEYYZVXXXLXCBL-FUHWJXTLSA-N 426.496 1.367 30 10 IDEE COCCNC(=O)[C@H]1CN(C(=O)COC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367935 XGEKJCNKVAUCNP-MRXNPFEDSA-N 428.411 1.003 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1554320351 NWCQXOVFMJXZML-GOSISDBHSA-N 433.534 1.493 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1555422278 OGNIWBOWGWGOHS-YCRNBWNJSA-N 438.532 1.661 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1556585648 BBDWNEBBIKWXLF-MRXNPFEDSA-N 446.529 1.445 30 10 IDEE C=CCSc1ccccc1NC(=O)Cn1cnc2ccc(S(N)(=O)=O)cc2c1=O 1559466367 JAGPMCLOTYBLNG-UHFFFAOYSA-N 430.511 1.961 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CC1 1562965865 DJWZZDRGXHFDLV-UHFFFAOYSA-N 439.501 1.013 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1565345227 GSTKURASAGSKQW-FQEVSTJZSA-N 430.574 1.289 30 10 IDEE CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1586286526 UCNOFWOJQJXQEH-FQEVSTJZSA-N 442.516 1.710 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)[C@@H](C)CCC 1587599191 KZXGCUAVLNKJGB-DLBZAZTESA-N 435.536 1.931 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1588050864 WLZLFOVVVRQUNZ-MSOLQXFVSA-N 444.561 1.158 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588054638 PABDKXKBMOHXSA-LJQANCHMSA-N 447.605 1.965 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1588059702 SPMVBCTWAHQXJQ-KRWDZBQOSA-N 425.518 1.096 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)COCCO1 1588093272 IHJGGGMXVXEJER-LJQANCHMSA-N 432.322 1.924 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[C@@H]2COCCO2)CC1 1588780814 XDNZUOKUUHUPML-LJQANCHMSA-N 441.532 1.523 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1588975026 DGHQBGKBHKFBLA-HUUCEWRRSA-N 425.518 1.007 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)CC1 1589037261 WPOWBQLANMEKRM-UHFFFAOYSA-N 429.546 1.997 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](COCCOC)C1 1589529960 QWLQKZKJJLZESE-XFKSJGNHSA-N 433.553 1.700 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595530137 UPINHSNUYBNTIX-INIZCTEOSA-N 434.504 1.100 30 10 IDEE C#CCN(C(=O)c1cc(N2CCOCC2)ncn1)C1CCN(C(=O)OC(C)(C)C)CC1 1596147258 NEHWZGLBMCFORE-UHFFFAOYSA-N 429.521 1.788 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1597039450 NIGGCTGNNKXREB-KRWDZBQOSA-N 446.552 1.786 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1616910539 FTVIHYWINWBZAK-AOMKIAJQSA-N 444.511 1.692 30 10 IDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1618917277 BJGRTHFXKJJGHX-MRXNPFEDSA-N 426.477 1.795 30 10 IDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)Cc1ccc(Br)c(F)c1 1621753069 CZXUXDLDCOQLHK-UHFFFAOYSA-N 434.331 1.966 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1624817537 SGZSTNVRSZGMNZ-FXAWDEMLSA-N 440.481 1.903 30 10 IDEE CN1CCN(C(C)(C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1627124351 QQFCMENTVHUBSB-OTQYULQBSA-N 433.597 1.915 30 10 IDEE Nc1cc(I)ccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1632880461 QIJFDROJCIJRLQ-SQFISAMPSA-N 426.214 1.130 30 10 IDEE CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1634523923 SZNNBNUSURVCAI-AWEZNQCLSA-N 432.889 1.679 30 10 IDEE COc1cccc([C@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCN2)c1 1634879728 DPPRIORCCYBTIG-MGPUTAFESA-N 428.514 1.407 30 10 IDEE Cc1cc(C#N)c(=O)n(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 1644005335 AGPYBXMYFNTOKQ-UHFFFAOYSA-N 440.525 1.792 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(c2nccnn2)CC1 1646415117 JRJNVTMXSFIXEP-UHFFFAOYSA-N 447.293 1.632 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1652167579 SIEYEDJVLVEXLH-UHFFFAOYSA-N 441.509 1.814 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C[C@@H](CN(C)Cc2ccccc2)c2ccccc2)CC1 1654025554 LVHMJLXNWHJLGH-XMMPIXPASA-N 440.613 1.987 30 10 IDEE COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CC(C)(C#N)C3)C2=O)cc1OC 1658479001 CKKZPRCUKSYWKS-RQZCQDPDSA-N 444.513 1.702 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1664571310 ZLNUVBDMVKMCJA-FZMZJTMJSA-N 428.454 1.397 30 10 IDEE COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 1668193896 BKQWGVVDQDMNOG-UHFFFAOYSA-N 428.514 1.706 30 10 IDEE CN(C)CC#CCNC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1676930509 RUFCUJBQRYJIAR-GOSISDBHSA-N 435.569 1.052 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2C[C@@H]2C)c1 1689872260 SUDLDWYTJXWBHL-LESCRADOSA-N 427.530 1.817 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1689985869 DFRAXDGMMYYRCW-SFHVURJKSA-N 438.557 1.970 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1689987732 BKHKBFPEHHWLLJ-RTBURBONSA-N 442.589 1.617 30 10 IDEE C#CCN(c1nnc(CC)n1CCNC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689992636 NKHWMHXQECOBDK-GOSISDBHSA-N 429.546 1.206 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689993715 KDZCKQIDGPCQHP-GOSISDBHSA-N 444.586 1.762 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C)C1=O 1690095389 PGUUUSCOGGXAOD-SFHVURJKSA-N 435.326 1.600 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1690163591 KOLZKKAUPGVQHP-OAHLLOKOSA-N 429.546 1.996 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOCC2(C)C)C1 1690711946 LAPLBAXVGRGCFG-GOSISDBHSA-N 432.569 1.293 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690725182 HZRFLTZQHVANDO-GOSISDBHSA-N 439.626 1.767 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Nc2cccnn2)CC1 1690732268 XYIBCTJTVNTTPS-QGZVFWFLSA-N 447.565 1.601 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOCC2(C)C)CCOC1 1692591742 DYLDBNWEDRHKKA-GCJKJVERSA-N 448.568 1.158 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1695159815 ORXKICBZJFMLBZ-SAZZCXPWSA-N 430.509 1.661 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1695931374 HFBUXANPIIMGOP-CRAIPNDOSA-N 444.561 1.717 30 10 IDEE CN(C)CCOCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696621595 UNTMUVUJSPCHLK-UHFFFAOYSA-N 434.504 1.453 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)C1 1696942078 VIGWEIYNUJBEOE-FQEVSTJZSA-N 439.564 1.747 30 10 IDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 1698319438 GANADKOTFLMZSD-HKBQPEDESA-N 442.545 1.199 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1705551928 SUIHVUMHTHPQDN-IBGZPJMESA-N 431.562 1.540 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1705558705 GDKGIBHTKBHUPF-KRWDZBQOSA-N 449.964 1.745 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705563913 HUUIHFWQOMGPPK-KSZLIROESA-N 431.562 1.725 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1705587018 FJNPLIJNHFECIT-BSRJHKFKSA-N 443.548 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705599404 YOFDQRDDBZLZEG-HXUWFJFHSA-N 426.542 1.838 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705657978 XYSDZFNEMJDABB-NVXWUHKLSA-N 430.530 1.680 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(=O)NC)C1 1705658814 BQTYPXKJFNLMQC-FQEVSTJZSA-N 430.534 1.335 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705663240 ALKZLSAFHUYCQO-GHTZIAJQSA-N 444.649 1.976 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1705902962 NOKVARKAWGHGOH-GOSISDBHSA-N 430.553 1.456 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705904851 AHGKWIWABRVFOQ-QZTJIDSGSA-N 438.532 1.427 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1705934330 ISTCOLFKJNXMML-JKSUJKDBSA-N 439.582 1.614 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1709191699 HBZZXMJEXSRZFL-OXQOHEQNSA-N 437.548 1.926 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1711028772 ZPSOHIMMZIULHQ-JKSUJKDBSA-N 437.472 1.864 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 1712559268 AMHLHIAKZJEPMR-KRWDZBQOSA-N 426.521 1.725 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722362611 VFJZCNWZWSKQPS-QGZVFWFLSA-N 429.546 1.662 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC(O)CC1 1722376948 JBVQGJYECAEGCD-UHFFFAOYSA-N 437.544 1.882 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1OC 1722393258 XMDHCZIXVSNDSE-PZJWPPBQSA-N 446.515 1.435 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1722395708 ODXJYBOBSVJCBM-SFHVURJKSA-N 431.491 1.498 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1722413340 LKRYNVLZUSUGRM-INIZCTEOSA-N 444.540 1.715 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1722423315 ZBIVLGBKQRWMPQ-ZOKDDAQRSA-N 429.521 1.919 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1722555416 KRGUVXSCQYPHHA-KBPBESRZSA-N 433.962 1.225 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722696226 FUEOJEZRZKERRJ-FQEVSTJZSA-N 433.509 1.401 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722697004 DEQZSCMIWYPCSX-HNNXBMFYSA-N 428.522 1.324 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722698885 OIOYHEZRZJRLHC-CABCVRRESA-N 431.497 1.169 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1722700247 CCFLUHMTKOPDDF-QFIPXVFZSA-N 426.521 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1722727780 LELKYTJHVIXSHW-UHFFFAOYSA-N 437.541 1.916 30 10 IDEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1722998697 AYEJHDHWJHZYQZ-INIZCTEOSA-N 425.493 1.653 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1723476956 AEWZBOTZZHBHNH-HXUWFJFHSA-N 437.548 1.500 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1723781306 YNHHAFZNWSADPV-HUUCEWRRSA-N 440.570 1.833 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1728697809 ZIGIMOGXWLMDET-LJQANCHMSA-N 440.504 1.901 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC(F)F 1729071322 WAUNWHUNUNCFHP-CQSZACIVSA-N 436.467 1.821 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1730838006 AZPYIMBXUSTAQE-KSSFIOAISA-N 431.534 1.657 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCN1CCOCC1 1740587692 SBMGNLXAVJMLBZ-UHFFFAOYSA-N 445.593 1.420 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1740638966 QSHHKKUVGQDRLG-INIZCTEOSA-N 439.524 1.037 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1740657585 TWYHQBLZLMEPGI-MSOLQXFVSA-N 440.525 1.483 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1740690402 TXTPVDBJHMEHOK-XXBNENTESA-N 444.580 1.290 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740794454 AUJHSGKTOZOAIO-GJZGRUSLSA-N 431.459 1.880 30 10 IDEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1740814720 ATBBBKGBWQHGIE-UHFFFAOYSA-N 430.896 1.952 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnnn2C)C1 1740983923 SKUZMDJNHJCALT-OAHLLOKOSA-N 428.522 1.228 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCOCC2)C1 1740986011 PMBSJTVCJPOMCL-BZSNNMDCSA-N 449.552 1.066 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1747603266 UARQYAQSXJSWDZ-QGZVFWFLSA-N 437.457 1.187 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@]2(C)CN(C)C2=O)c1 1748692750 NILYHKCBGTZFTL-SBUREZEXSA-N 436.516 1.317 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1748752400 WIKZLDVRIFOAEZ-JKSUJKDBSA-N 448.549 1.678 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1748892421 OPKWEFHCCCPNBD-HXUWFJFHSA-N 438.553 1.764 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCNS(C)(=O)=O)CC1 1748978721 RORWFCSYEIITQN-HXUWFJFHSA-N 444.605 1.515 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1749053163 BUPWGTSSBDXYDN-JKIFEVAISA-N 429.637 1.729 30 10 IDEE COCC1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749516447 CYFGROMMAVUBAN-XUTLUUPISA-N 439.520 1.673 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nnc1C(C)(C)C 1749681500 CTPGABYDRMLPTD-UHFFFAOYSA-N 428.512 1.866 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCCN2CCC[C@@H]2CO)c1 1750380968 DFVCOOFYHDZOAU-WOJBJXKFSA-N 437.548 1.365 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1751107267 YQKPPSHBSLIPFN-YJBOKZPZSA-N 428.493 1.234 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)c1 1751397516 CVVRWPORZVNNNG-QGZVFWFLSA-N 434.566 1.961 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760184744 KZPWWDBZVUEZIN-LJQANCHMSA-N 443.573 1.676 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1760187736 FGJMMEXYHDPHQF-INIZCTEOSA-N 428.543 1.780 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760192673 WOFYDDDIHAPKCJ-QGZVFWFLSA-N 433.578 1.608 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760204732 AIGFKLULKWIBID-OAQYLSRUSA-N 433.560 1.279 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1760205926 NAWYSZDGESNNMW-GOSISDBHSA-N 449.577 1.033 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760287298 NABKHVRXJZWAOG-WKRCXCSHSA-N 436.578 1.753 30 10 IDEE Cc1cccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1761934873 PZCLWHPCXFYSQP-IAORGOLBSA-N 437.504 1.789 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCS1 1765234751 AYMWKSVGBRYSPZ-YLJYHZDGSA-N 447.586 1.698 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)C[C@H]1C 1765515740 FSLPUOFDSYNKOJ-QGZVFWFLSA-N 445.593 1.677 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1767434668 IFPCFJFACZHQRH-PKOBYXMFSA-N 445.545 1.779 30 10 IDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1768881228 UVJHODYJNMUBEU-UHFFFAOYSA-N 426.521 1.698 30 10 IDEE COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4cnc(C#N)nc4)CC3)nn2)c1 1850960376 TYVJZFSFFXRCAF-UHFFFAOYSA-N 431.456 1.785 30 10 IDEE C[C@H]1CC(=NC(=O)[C@@H](N2CCS(=O)(=O)CC2)C(C)(C)C)NN1c1ccc(Cl)cn1 1851723120 SJJAXYQGSGAACI-SUMWQHHRSA-N 441.985 1.908 30 10 IDEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)cc1 1851771027 ROTNTQYFSJQBOE-UHFFFAOYSA-N 442.545 1.731 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1851852513 OTZUABROFPHPRO-FQEVSTJZSA-N 437.452 1.456 30 10 IDEE CC(C)[C@H](C(=O)N(C(=S)N=CN(C)C)c1ccc(F)cc1)N1CCS(=O)(=O)CC1 1852059849 LNDPVNZYGPYJPU-QGZVFWFLSA-N 442.582 1.789 30 10 IDEE C=CCN(C(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)[C@@H]1CCN(C)C1=O 1852209334 VTVGODGKIAAWBT-RTBURBONSA-N 425.595 1.301 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cn(C[C@H]3CCOC3)nn2)cc1 1852302334 AABXSNAGZRUINC-UYAOXDASSA-N 441.488 1.123 30 10 IDEE Cc1ccc(OCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857066060 FVEWGNWXODUHIE-GOSISDBHSA-N 433.530 1.623 30 10 IDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN(CC)CCc1ccncc1 1870522057 VKCXDNBOMHZTEJ-UHFFFAOYSA-N 428.533 1.635 30 10 IDEE C#CCOc1cn(CCOCCO)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870564072 ZYJBHNGYLXUZFY-UHFFFAOYSA-N 429.492 1.331 30 10 IDEE N#Cc1ccc(CN2CCC(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)cc1 1873724017 DVLNZZNIFWIQFJ-UHFFFAOYSA-N 447.451 1.843 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CC(Oc2cccnc2C#N)C1 1891305126 OVLPIQIBZBVNRG-INIZCTEOSA-N 443.529 1.349 30 10 IDEE C=C(CNC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1899519909 JVQQEKUZWWBTPF-CYBMUJFWSA-N 432.348 1.228 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2136173224 QKKJNUOIIABSMV-IHRRRGAJSA-N 426.267 1.600 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2255605393 LVFRKUZSZVULOG-QWHCGFSZSA-N 435.334 1.005 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCO1 2255628374 HDOVRRDHDWHZLV-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)(C(=O)O)C1 2255703395 RKJFIXDVCSGYSD-UHFFFAOYSA-N 436.270 1.383 30 10 IDEE Cc1nn(C)c(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267143869 OBCPIUZMNMKHPK-HNNXBMFYSA-N 446.357 1.933 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267197898 PXXWJRIPUTUNGU-KBPBESRZSA-N 446.357 1.623 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267500450 JDJRXRUEMQFLJR-HUUCEWRRSA-N 446.357 1.658 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)n1 2267537435 PWIJBFONMAVQCN-OAQYLSRUSA-N 447.345 1.340 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2CCC3(CC2)OCCO3)OC1(C)C 2282507655 KRJSIGHVPGGMLW-UHFFFAOYSA-N 444.384 1.547 30 10 IDEE C=CCOC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286035734 BPZFWUWMAZRRQU-SFHVURJKSA-N 440.518 1.451 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F 2296612486 KCROHRQSGOLVGQ-HXUWFJFHSA-N 442.491 1.930 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303114814 OHPLQCNTYYGMOT-BARDWOONSA-N 426.319 1.022 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)CC1 2315537468 VJKFKSHJCZOHFF-UHFFFAOYSA-N 434.346 1.754 30 10 IDEE O=C(O)CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 16741001 JYZYYGUCDGBFJQ-SUUAPBBVSA-N 440.499 1.314 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 27560029 GVSLVFZLTBFGPC-UHFFFAOYSA-N 438.528 1.925 30 10 IDEE COc1ccccc1CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295077 BPCRSTQWGYUZNT-QGZVFWFLSA-N 442.541 1.578 30 10 IDEE C=CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@H]2CCC(=O)N2)CCO1 72389201 SGTKDDRCBLYDGM-BWKNWUBXSA-N 448.523 1.470 30 10 IDEE CN1C(=O)[C@@](NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 78397327 DEVZKUSKGSEZKS-QGZVFWFLSA-N 431.436 1.963 30 10 IDEE Cc1c(NC(=O)[C@H](C)N2CCN(c3ncccc3C#N)CC2)c(=O)n(-c2ccccc2)n1C 96993234 WGNNWOOCRJXBNW-SFHVURJKSA-N 445.527 1.900 30 10 IDEE COCCCn1c(=O)/c(=C/c2ccc(OC)cc2)s/c1=C(/C#N)C(=O)N1CCCC1 105754110 MBCDKCWWNZNFNY-ZLHHJAJDSA-N 427.526 1.080 30 10 IDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 438839439 WUNKLIXZPRXKLL-INIZCTEOSA-N 430.318 1.248 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@@H]1CCCO1 477314818 PKAIGHQJKONTHN-KRWDZBQOSA-N 429.517 1.566 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 478742749 DKCZLYAACCAEMU-UHFFFAOYSA-N 445.610 1.812 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 492319777 IMBDAVSNIZGGKQ-CYBMUJFWSA-N 427.332 1.558 30 10 IDEE Cc1cc(=O)c(C(=O)N2CCN(C(=O)CC#N)CC2)nn1-c1cccc(C(F)(F)F)c1 503644705 SIEFAMLHEPIPDI-UHFFFAOYSA-N 433.390 1.758 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N2CCCCC2)CC1 509013661 QBCYXPJMXHEIGS-GOSISDBHSA-N 438.598 1.252 30 10 IDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 513784102 LEBRWCAMGIJWNL-AZUAARDMSA-N 432.590 1.644 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 522110167 YMLGJFKZTPWLNZ-UHFFFAOYSA-N 440.521 1.994 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@H]1CCCO1 534402947 MKLLISPVMRBBON-QGZVFWFLSA-N 447.507 1.642 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccco3)n2C[C@H]2CCCO2)CC1 559100286 MKXGNNXLUNLVEI-LJQANCHMSA-N 428.537 1.260 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(OC)cc1 578265207 CNYYYPXTBMCRFJ-GOSISDBHSA-N 435.550 1.832 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1=O 610598714 DVHITWHCBFRRTJ-FOIQADDNSA-N 432.502 1.214 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1F 728580972 DHNIDDIYAMRDLP-SECBINFHSA-N 428.276 1.538 30 10 IDEE C#CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 730772954 ZMEMVPAEJZWLQR-HZPDHXFCSA-N 437.905 1.194 30 10 IDEE Cc1c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 732651703 FWKTTWLHVRBXNV-GOSISDBHSA-N 443.552 1.971 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1 738362025 WFSYVMXVVJANJI-MRXNPFEDSA-N 448.588 1.039 30 10 IDEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2C2CC2)C1=O)NC1CC1 742215058 QWCZBBWVWGFKQO-HNNXBMFYSA-N 429.481 1.948 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 745872884 DTNAPZJNWWDHSK-QZTJIDSGSA-N 437.585 1.699 30 10 IDEE CO[C@H](C)c1noc(CN(C)C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 747933118 JEZHRCPXJGABSQ-HIFRSBDPSA-N 449.533 1.889 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn3ccccc23)c1=O 758049642 HCKDFOLQPPOBHB-UHFFFAOYSA-N 440.484 1.585 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2ccn(C)n2)C1=O 760455017 NIKMPMCQUFLDRM-SFHVURJKSA-N 446.552 1.801 30 10 IDEE C#CCN(C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 774195712 KYGMDSWTXYHCKJ-QKLQHJQFSA-N 447.557 1.268 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCn3c(O)nnc3C2)cc1 782722256 QAQWBCVUFCAGTR-XQNSMLJCSA-N 447.521 1.624 30 10 IDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cn2ccnc2s1 785887543 YHMOXPLELKJFKA-UHFFFAOYSA-N 437.437 1.933 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCC1CS(=O)(=O)C1 790630976 XTWVWWAPFBTIDU-OAHLLOKOSA-N 428.532 1.118 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NCCN3CCc4ccccc43)CC2)o1 796279938 PRFKFOWGGJOHIG-UHFFFAOYSA-N 437.500 1.793 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H](C(F)F)C3)nnc12 801424100 MQVNEFGYQVNAHG-CQSZACIVSA-N 435.456 1.815 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc(Cl)c1OC 917355252 XZPXIUNXYOMQTR-CQSZACIVSA-N 431.901 1.786 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 1141370299 GXJUSSNTVGXWDR-QFIPXVFZSA-N 434.537 1.376 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1141969219 VMNBOTRUWMYWLF-OAGGEKHMSA-N 429.539 1.378 30 10 IDEE COc1cc([C@H](C#N)NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)cc(OC)c1OC 1142684911 CUQVBDOWZZBYHL-JKSUJKDBSA-N 448.520 1.944 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)cc(OC)c1OC 1142684978 FQBRLKGLNAKXGK-QGZVFWFLSA-N 448.497 1.402 30 10 IDEE COC(=O)[C@H](Cc1ccccc1O)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1148295645 SRFVCFIZPXFGPW-INIZCTEOSA-N 445.497 1.111 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1148505464 IOULDFUWHXFKRI-WBVHZDCISA-N 447.966 1.184 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)C1 1153859266 NGLTVBYNMNFNGR-YYDVJCTNSA-N 428.533 1.889 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1=O 1156253604 FHWFDHDCTRSWDE-ROUUACIJSA-N 441.532 1.936 30 10 IDEE Cc1nc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(C(=O)NCCO)n1C 1156925244 BGMSZKQAQLSDIE-UHFFFAOYSA-N 428.468 1.317 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1194497116 DYVNUAQMXOPJJY-SJORKVTESA-N 429.489 1.121 30 10 IDEE C#CCC1(NS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CCOCC1 1213765506 JORWPOBSOQYCSL-LJQANCHMSA-N 436.530 1.516 30 10 IDEE C#CCOc1ccc(CNC(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)cc1 1230263530 BIPCAWDNJUTXGL-UHFFFAOYSA-N 444.509 1.786 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286336380 KFVFNPSUDWUHMM-LJQANCHMSA-N 426.565 1.947 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1286339118 IXGXQHXWNSVFNN-KRWDZBQOSA-N 428.518 1.338 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1286386756 HBIIJKZAOGIXDV-CVEARBPZSA-N 436.509 1.372 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1286389459 KIUXBXHARCHEEG-QGZVFWFLSA-N 430.530 1.848 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CC(OCC)C1 1286411028 MBJVOERNILOPCE-UHFFFAOYSA-N 448.571 1.607 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)O 1286459469 MKJXMQGQSRQEMI-UHFFFAOYSA-N 434.566 1.404 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1286464942 HIUMHVJJKGCEJT-FQEVSTJZSA-N 438.532 1.200 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCC2CC2)CC1 1286479415 RVDVIUMOCAZLQS-UHFFFAOYSA-N 426.952 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC(=O)N(C)C)CC1 1286494519 UWXOOXXPEUILRY-SFHVURJKSA-N 430.553 1.354 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286514573 LWZTXMAKCYLYDP-JQHSSLGASA-N 448.593 1.409 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1286518270 RWWYNYJFOWQZJW-OAQYLSRUSA-N 427.530 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286818878 RBRJFHMZFQMVAP-GOSISDBHSA-N 443.533 1.252 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286930917 SACADJLHROJGBK-UNEBPCJRSA-N 443.552 1.356 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC1CCOCC1 1288804839 HKMPLDPFFLBEMA-OAHLLOKOSA-N 440.570 1.214 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1291324495 XTWZZNSZLBCAFO-DKZVUGQWSA-N 427.505 1.884 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)s1 1292143046 ZNIPOPRSJXLZEP-GJZGRUSLSA-N 443.591 1.145 30 10 IDEE CCc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)s1 1292797775 HOCPRUVEZZSKQI-CQSZACIVSA-N 438.517 1.503 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1300303175 GQKZDSZBJCERQY-ZDUSSCGKSA-N 443.458 1.514 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1300340121 VAROYWNISONZHB-JKSUJKDBSA-N 440.570 1.407 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300481368 AABKPMZLKWMVGW-LPHOPBHVSA-N 443.573 1.760 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300482042 CZOUTUBLOHLPLY-BRSBDYLESA-N 440.566 1.054 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1300548603 MFGWVAWLJPVYSD-FCQUAONHSA-N 444.495 1.765 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCNS(=O)(=O)CC 1300591757 WLRJWTXAGVAYAH-UHFFFAOYSA-N 438.557 1.683 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1300756182 HWXWDZBEPJAVPS-FQEVSTJZSA-N 449.584 1.789 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300778430 VVFOZLRYTSLWMU-QYZOEREBSA-N 435.594 1.673 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1300805818 IXPWHQKBOXQCNG-OPAMFIHVSA-N 446.552 1.667 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1300848276 CEYZYRAEKIMSJI-UONOGXRCSA-N 448.387 1.756 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1300989542 PKGXMXRSCGBYGN-QGZVFWFLSA-N 441.536 1.195 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NC2CCCCC2)CC1 1301105294 GPZUNOYSSYCCPU-OAHLLOKOSA-N 438.598 1.740 30 10 IDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCN1CCN(Cc2ccccc2)CC1 1301261977 MXEUAKOKYQMRJK-UHFFFAOYSA-N 425.581 1.856 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1Cl 1301478105 IEJNVACJPCMMFZ-CYBMUJFWSA-N 440.957 1.480 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NC(C)C)C1 1301543967 RJRXCJCZCQYMKB-KRWDZBQOSA-N 447.561 1.655 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1302370178 GFZIMEWEOPXTLS-UHFFFAOYSA-N 433.534 1.513 30 10 IDEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1303003293 DYMWTQGKIADBCG-CVEARBPZSA-N 428.459 1.928 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@H]1C 1313873947 FIMFNZOXJRHCKX-SJORKVTESA-N 435.536 1.824 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1314567269 ITZIZANMDBJQKQ-WRGVRERRSA-N 428.518 1.616 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C(C)C 1315654120 NPZSMEHIHVNFCR-QGZVFWFLSA-N 442.520 1.757 30 10 IDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1320061550 KJMUDOWOLUXVBF-INIZCTEOSA-N 425.507 1.525 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)c2)c1 1351801802 IRQBSYANDXAIAW-LJQANCHMSA-N 445.435 1.825 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358964619 CHOVKOPOFITVMI-MRXNPFEDSA-N 437.591 1.422 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1358994491 OORPCXKSOYKOJP-IBGZPJMESA-N 449.540 1.272 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1358997941 KRGVRWGDGYYHFX-SFHVURJKSA-N 442.541 1.763 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1359260595 JFYLZCNZPSBFIM-MRXNPFEDSA-N 436.513 1.110 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)CN(C)C1=O 1359279397 DSNBUWRZYFFVNX-QFIPXVFZSA-N 427.505 1.833 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N2CCOCC2)cc1 1359465532 FLERHVVTZKZASJ-KRWDZBQOSA-N 425.537 1.897 30 10 IDEE CC(C)CCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1359962201 QRZUSFSMEZZJOS-IAGOWNOFSA-N 425.555 1.362 30 10 IDEE N#Cc1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1Br 1360359284 CPJSBMRERQVQFI-CYBMUJFWSA-N 430.324 1.539 30 10 IDEE C=CCC1(NC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CCOCC1 1452998145 PCTPIHIUADYKHT-UHFFFAOYSA-N 440.522 1.935 30 10 IDEE C[C@@]1(C#N)CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCO1 1456478397 GSKROSJTPNSJJS-ZJSXRUAMSA-N 432.480 1.641 30 10 IDEE CN1CCC(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)(N2CCOCC2)CC1 1460894055 CLIDXHALVIKNDD-UHFFFAOYSA-N 443.567 1.827 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@]3(C)CCC(=O)N3)nnc12 1472576620 WIAURLGWOYNZDP-HXUWFJFHSA-N 426.502 1.107 30 10 IDEE CCN1CCN(C(=O)CC2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1473164689 ZBCHXHDTJCXRIV-UHFFFAOYSA-N 436.556 1.552 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1478337445 LHUYHWOFTGUXCW-VQTJNVASSA-N 440.544 1.572 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1502057199 SRLWBUGOISKKKM-CZIZESTLSA-N 435.492 1.560 30 10 IDEE CCOCc1nnc(N2CCC[C@](C)(OC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503079568 JNKMCLZYBXQOBR-KCQYIYACSA-N 432.525 1.736 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1504443298 WOGGKJQDVKRSLK-GVDBMIGSSA-N 429.477 1.134 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507566273 ILMKALNDHNXGTI-SFHVURJKSA-N 426.546 1.943 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccsc2)CC1 1507573271 GECQNYPHEHHTIU-INIZCTEOSA-N 436.607 1.685 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1507629196 KPQBSCUWEYACIO-MOPGFXCFSA-N 442.589 1.841 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)N(C)C)CC1 1507728447 YZEOGEBASXKZJL-FQEVSTJZSA-N 436.564 1.791 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@H]1C 1507752236 UUFAFNGALFCVEW-OAHLLOKOSA-N 434.591 1.830 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2COCCO2)C1 1508118014 VTKXTWNWWPAUPE-KNKQGSTJSA-N 436.553 1.906 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1508152793 REIZQAGFMRSYGS-KGLIPLIRSA-N 431.584 1.197 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@](C)=O)CC1 1509215907 ZSIGSHNJLCSAFZ-PMERELPUSA-N 427.578 1.981 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1510370354 JOHDTVVZAKFIMF-JLTOFOAXSA-N 429.456 1.393 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)cc1 1516330850 HJBGTUHHZLDQKZ-CIKXWHQYSA-N 446.451 1.753 30 10 IDEE CCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516751037 LWHRITSFKWSDJV-KSSFIOAISA-N 428.493 1.574 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1539202407 HXDCBOIOJSQCTM-ROUUACIJSA-N 437.610 1.049 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1539221677 RDCKGBRCLZLEMI-MSOLQXFVSA-N 432.550 1.237 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539430462 KFGJEWOIDLQTOH-HBMCJLEFSA-N 432.613 1.878 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CCC)C(=O)C1 1539511592 ZBACESNYRJUMNJ-UHFFFAOYSA-N 444.561 1.821 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c1 1540643317 MVZQAPZSPZHRPE-UHFFFAOYSA-N 439.537 1.880 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](NC(C)=O)C1 1540874157 XBFXMVCOHWTKGS-IBGZPJMESA-N 435.532 1.688 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1541106158 RSMXEZOCPRODPG-PWSUYJOCSA-N 449.313 1.620 30 10 IDEE C#CC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1542600571 UPZFPEXIBOAXNS-ROUUACIJSA-N 431.558 1.942 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)cs1 1542912349 NNGHJJDSBHGOGI-UHFFFAOYSA-N 437.595 1.703 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccnn3[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1545028878 LNIWBSDBKURZCL-AWEZNQCLSA-N 429.506 1.884 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(C)COCCO1 1548170833 CUOOIEZSEKZZSV-JOCHJYFZSA-N 444.511 1.957 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)COCCO1 1555556648 IYWBQCAEXTVWSL-JOCHJYFZSA-N 443.504 1.888 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1555667961 BNWVRNTWKDRURC-DOTOQJQBSA-N 432.500 1.984 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1555711951 WMAPZOQSKMOTOY-QUCCMNQESA-N 427.505 1.721 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)CC1 1562733570 TWMXCOSTAKWRJO-UHFFFAOYSA-N 427.523 1.555 30 10 IDEE COc1cc(NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c(F)cc1C#N 1563098850 FQPRRYUSVRKMCL-UHFFFAOYSA-N 426.452 1.961 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)CC1 1568701216 IWPCUKOQXQAOFR-HXUWFJFHSA-N 428.533 1.221 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCC1 1588219676 YKGYFSHKPUUORV-UHFFFAOYSA-N 430.512 1.960 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1588876881 MFUOXEZLWPDGTO-HSZRJFAPSA-N 440.617 1.701 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1589089603 UDLWSUCLEYSHCR-FQEVSTJZSA-N 426.590 1.789 30 10 IDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1594793052 FQCCTBRGIXRFHK-LJQANCHMSA-N 449.515 1.882 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1594798186 OOUWDGBHQIWNKW-SFHVURJKSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595545536 YDUWSNPQBSTDSH-QGZVFWFLSA-N 444.561 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595758719 CCKWYNRFUYZWCR-OALUTQOASA-N 439.626 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cscn1 1595759993 IRICXFNVKONWBO-UHFFFAOYSA-N 447.546 1.619 30 10 IDEE Cc1cc(O)nc(N2CCC[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)n1 1595959932 OLMPYNUEUPJTQC-ZDUSSCGKSA-N 433.465 1.326 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)COCCO2)C1 1611765915 WIPGLLRKENBZQV-RTWAWAEBSA-N 425.493 1.861 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C#N)C2)C1=O 1618460187 ZCPJNIHBDPZJJL-BFUOFWGJSA-N 445.321 1.915 30 10 IDEE CO[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619501415 NOSHPXQTPAHZPU-SGRLSNSRSA-N 437.504 1.406 30 10 IDEE COCCN(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619878205 DMLCOSKKUSGLOZ-SFHVURJKSA-N 444.971 1.748 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1620101300 VGQLHIITIIYIQW-XKQJLSEDSA-N 435.506 1.138 30 10 IDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 1622395672 GOEAXVIRSZWZTG-ZDUSSCGKSA-N 442.335 1.443 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1626694510 CDHFIVXVCJSUAI-SJORKVTESA-N 444.488 1.232 30 10 IDEE COc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2=O)cc1 1631693905 BPVXUYLLSFZECZ-NRFANRHFSA-N 434.500 1.595 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 1633253015 WWOJSYSWRSFZQU-UHFFFAOYSA-N 428.558 1.833 30 10 IDEE COc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)cc1C#N 1636068408 DAMURCFUPSVTFX-KRWDZBQOSA-N 445.497 1.747 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCCS(=O)(=O)C3)C2)C1 1638187726 BEMMTFSQZQITJF-OXJONJSCSA-N 425.551 1.714 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCCCN1CCN(c2ncccn2)CC1 1638310352 LXXHGLLMOBXPAO-JOCHJYFZSA-N 430.553 1.757 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1638836843 OYNZYBUUGNQIAH-ZDUSSCGKSA-N 441.481 1.489 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCCC#C[Si](C)(C)C 1641159484 YFLPQUICJGTVET-QGZVFWFLSA-N 438.622 1.615 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n(-c2ccccc2)c1C 1648473627 MOQZEBNQSHUJND-PBHICJAKSA-N 429.546 1.761 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)OC)C1 1648925523 ZLVOPVVINKGYDT-LYDQXWKUSA-N 433.530 1.742 30 10 IDEE C[C@H]1CN(CCCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1649559516 BLBJHSSMQHYKEB-WSTZPKSXSA-N 425.537 1.492 30 10 IDEE C#Cc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1653439786 IATBNONGZDTSTH-UHFFFAOYSA-N 425.510 1.920 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)C(=O)OCC 1665497524 QRHJEDGNIJDEFO-LLVKDONJSA-N 435.882 1.843 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 1682022327 YGJIWHLVUOPICP-FSTYKVKCSA-N 440.500 1.459 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1682790232 QJEOQDOZDCLCHA-UHFFFAOYSA-N 447.388 1.964 30 10 IDEE C#C[C@@H]1COCCN1C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1682858869 MATZIGTZKDWPKB-GOSISDBHSA-N 436.553 1.668 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1689992238 IOIVUGJHVPAAJV-GOSISDBHSA-N 425.514 1.840 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1689994205 TYDKAKDZFZYINC-HNNXBMFYSA-N 448.599 1.765 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1689998855 ZCKOYPRCOBJKNO-BZSNNMDCSA-N 434.518 1.270 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1690020140 ZNVYGHFPPZLAJH-OAHLLOKOSA-N 433.921 1.380 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cccnc1N1CCOCC1 1690099542 ATDQTPNBSDXNAU-UHFFFAOYSA-N 433.516 1.706 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1690507852 YQANZGHMMBOCTA-UHFFFAOYSA-N 445.524 1.450 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CC 1690621878 CALYEXVIBPUPSD-MSOLQXFVSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690673938 JTQDNIFKSBAOTO-UHFFFAOYSA-N 438.598 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690714183 GXUYOUAUHXIXOQ-FQEVSTJZSA-N 441.598 1.659 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)C1 1690811901 BKPDVFNYTSJZQW-SJLPKXTDSA-N 429.550 1.621 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1691987201 YLDHJIOWEPJEQC-SFHVURJKSA-N 432.550 1.617 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCOCC2)C[C@H]1O 1697064395 MAYQAKGRVASRFW-RTBURBONSA-N 425.489 1.604 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(=O)NC(C)C)c1 1705507003 OOGPFLQEOIFRJU-GOSISDBHSA-N 438.532 1.753 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705508424 VJSCYJPZHQLZDN-FQEVSTJZSA-N 428.581 1.866 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705564891 FEHYTVCBICGXFC-ROUUACIJSA-N 445.545 1.251 30 10 IDEE C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705570276 NQRNAVQPEWMWHP-QGZVFWFLSA-N 441.557 1.748 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705704979 BESJCHMLVVSWEF-VWPQPMDRSA-N 440.548 1.586 30 10 IDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705771528 XPMBSUXHCUXCLP-SFHVURJKSA-N 433.582 1.578 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705896638 SRAZLNHDVVTKCK-GOSISDBHSA-N 430.516 1.921 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705904218 JDJNAUZJAUNHGG-UHFFFAOYSA-N 446.581 1.876 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C(C)=O)CC1 1708756623 FVIMMOUOCHHWSS-SFHVURJKSA-N 431.541 1.184 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1722362274 SIDOPPXHOPHNSS-OAHLLOKOSA-N 430.921 1.997 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722364014 WEFYGPRLGOJESN-VGOFRKELSA-N 444.557 1.741 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1CCc2ccccc2C1 1722427399 OIKQPLQXIKNVEU-UHFFFAOYSA-N 436.560 1.545 30 10 IDEE C=C(C)COCCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1722528763 KYBIJNQXSOJESQ-UHFFFAOYSA-N 428.541 1.132 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722624901 KYHCBIYGSLZELK-UHFFFAOYSA-N 437.570 1.132 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1722692438 MBNVAWJSUXEXBA-QZTJIDSGSA-N 430.553 1.459 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(F)F)CC1 1722700817 VTSAMKNOFSGZHN-UHFFFAOYSA-N 434.491 1.567 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722970229 YPQHPRQRKQUFBF-HSZRJFAPSA-N 435.532 1.838 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1723778609 HHEHVLYWLQLATH-DOTOQJQBSA-N 436.582 1.930 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1723780487 RPGLIGILTOVDHF-CABCVRRESA-N 428.534 1.632 30 10 IDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@]2(CCOC2)O1 1724034935 FIJAAUSHGJPTPZ-HSZRJFAPSA-N 441.532 1.990 30 10 IDEE C[C@@H]1CCCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1726575227 APEDYUXTXQDHMJ-MOPGFXCFSA-N 429.569 1.755 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC#N 1729737288 ADMYZLJYLZEPDR-CQSZACIVSA-N 428.522 1.623 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729835033 AHSYVDPWKMXSLK-QAPCUYQASA-N 428.541 1.795 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1730483221 XHCHYPSRALYBBQ-MRXNPFEDSA-N 436.513 1.319 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740570424 DTESHMMXKHGMDU-DLBZAZTESA-N 440.552 1.861 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740574458 LHHKPNKZHPPDNT-RTBURBONSA-N 435.594 1.142 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 1740582622 PRAQJDDKAQLQTH-GOSISDBHSA-N 429.546 1.283 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740592236 UHQLRJNQAQHJJN-HXUWFJFHSA-N 443.573 1.847 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1740618474 IIBQQZVVSROEIF-MOPGFXCFSA-N 443.529 1.105 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@H](C)CC 1740630574 KVJBCAVDWCAZNN-QGZVFWFLSA-N 441.557 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1740643961 QLPHNEQGJVVTMV-UHFFFAOYSA-N 447.948 1.619 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)N(C)C 1740653316 ISNKQAWZTBXIKJ-UHFFFAOYSA-N 431.500 1.925 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1740692667 NVSUKEFZZWPXRH-XZOQPEGZSA-N 431.581 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC=CCC2)CC1 1740702073 HSWOVHIHPYROEN-IRXDYDNUSA-N 448.593 1.210 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740706317 RYJFBHCDOMABHN-ZWKOTPCHSA-N 442.564 1.053 30 10 IDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1741295417 YQVSKKXFCXJVIC-OAQYLSRUSA-N 427.509 1.908 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C1CC1 1741861929 BPPDTWWBHXOEPP-MRXNPFEDSA-N 444.561 1.446 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1742202499 TVQAAUQGQIRTFI-HMWBCQRISA-N 439.476 1.040 30 10 IDEE Cc1cccc(C)c1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1742306966 CLNRCHPTOJTWQT-IRXDYDNUSA-N 448.549 1.313 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOCCS(C)(=O)=O 1748649319 NFOSUOCYTTWRFR-MRXNPFEDSA-N 442.545 1.854 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1748790760 LVGSYUDTENCYNT-LLVKDONJSA-N 433.481 1.968 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748819893 UFSBSHSAESYIHN-RTBURBONSA-N 444.532 1.980 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1748905249 APNCIFQZCOXIAY-LIRRHRJNSA-N 439.969 1.909 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1748930097 XOCJWFBPOUTUIJ-IBGZPJMESA-N 436.626 1.057 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1748940821 RLSVIWFUQJFDCS-HNNXBMFYSA-N 435.525 1.582 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1748990592 JLECCCOYSNNJLH-MBSDFSHPSA-N 427.524 1.974 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749026775 PSFYXMYOGKPAKW-MRXNPFEDSA-N 434.953 1.701 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749038247 JGHAMWNENGLBFV-IBGZPJMESA-N 446.621 1.631 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749729468 KNEKHZLINFPUCO-INIZCTEOSA-N 431.518 1.495 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1750008495 OOCCHKXLAFVFLK-QRVBRYPASA-N 436.557 1.088 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2[C@@H]2C[C@H]2CF)C1 1750209619 IGOFYFMISYRGRY-XHSDSOJGSA-N 426.518 1.272 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1760098071 NYJOPHJIJBNUCC-CABCVRRESA-N 442.586 1.603 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOCCOC 1760173521 ADDVNKMUNHKFKY-KRWDZBQOSA-N 437.541 1.709 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](OCC)C2CCCC2)CC1 1760260481 ULJBPXPPFWUDBI-WOJBJXKFSA-N 428.581 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1760269769 OIMYGAIFMWSFHH-LJQANCHMSA-N 441.624 1.537 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCn2ccnc2C1 1761480792 KBEFTFPDQZKQLP-DOTOQJQBSA-N 446.581 1.477 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCS(=O)(=O)CC1CC1 1762608990 BMBCJFJZWWLIBG-UHFFFAOYSA-N 432.525 1.749 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCOC)CCN2C1=O 1765297543 UJIUIWTVIDPPIA-SFHVURJKSA-N 437.504 1.716 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766828851 RTBLHSBTAHZEIA-WFJJUKAGSA-N 444.536 1.704 30 10 IDEE CN(c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1766972011 PWSGXKOVTWPYEV-UHHPSXQGSA-N 448.549 1.085 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1768139954 LJUAYTORAWOTPW-GOSISDBHSA-N 446.577 1.961 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768446943 FJLQMQWBSJGGMP-UHFFFAOYSA-N 433.520 1.355 30 10 IDEE COCCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)cn1 1769876385 VTLQYOJKWRPOLP-OALUTQOASA-N 429.525 1.633 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1770339071 FYHDIRXHKGEINR-PKOBYXMFSA-N 445.545 1.779 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1771534434 AVBRQFRRVVQKRU-WBVHZDCISA-N 446.458 1.855 30 10 IDEE C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)OP(=O)(O)O 1848436693 GDOMASQXEWHBDG-VJLCOJPHSA-N 444.392 1.724 30 10 IDEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)N3CCO[C@H](C#N)C3)c2C)C1 1848513928 IZBWFPQRSDLRKR-LSDHHAIUSA-N 427.427 1.833 30 10 IDEE COc1cc(OC)nc(O[C@H](C(=O)NCCN2CCC(C#N)CC2)c2ccccc2)n1 1851452736 PSGSTEKUVZMNTF-FQEVSTJZSA-N 425.489 1.966 30 10 IDEE N#Cc1cccnc1N(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)C1CCC1 1851990009 ANTRXTHHVUEZFS-AWEZNQCLSA-N 445.467 1.947 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 1858334839 JWUGEVOZIMWGMS-GOSISDBHSA-N 431.539 1.788 30 10 IDEE C=CCNC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1)c1ccccc1 1861605870 CRTLETFPOPVNDN-UWJYYQICSA-N 435.480 1.986 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCn3ccnc3)ncnc21 1875231290 HYQFZXXVXLNUHU-UHFFFAOYSA-N 436.520 1.620 30 10 IDEE O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC#CCN2CCc3ccccc3C2)cc1 1890095908 ABFKSKMUNRHLDD-UHFFFAOYSA-N 437.521 1.680 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OC)cc3OC)CC2)CC1 1890229136 RVYBZFBMFPWJDG-UHFFFAOYSA-N 429.561 1.966 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1962822250 FZSOVEDGEOUACG-OAHLLOKOSA-N 437.346 1.807 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1985785038 UUBJECBAOHWDAG-CABCVRRESA-N 428.530 1.965 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](O)C1 2247849039 UIRCNEYZHBTMET-QWHCGFSZSA-N 438.355 1.757 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255650389 CEALNAMLFJYXJU-ZFWWWQNUSA-N 432.330 1.904 30 10 IDEE Cn1nc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255658811 JMQNEFGOOFHTQK-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255826104 KKTXTNBKAVOXBT-DZGCQCFKSA-N 434.346 1.752 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)n1 2255832977 VGYNQAACECWQOY-UHFFFAOYSA-N 434.346 1.799 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2256729438 ROCSMMKTPUHGKT-JYJNAYRXSA-N 438.330 1.118 30 10 IDEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267008879 INHKMVPCLPLIEX-YPMHNXCESA-N 444.263 1.248 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1B1OC(C)(C)C(C)(C)O1 2267130621 QEWGVGBWJGPXFW-GOSISDBHSA-N 440.353 1.350 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2267188233 JLXQAFDXQBZGIH-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267279714 JMNGQWLMKIRKLM-UHFFFAOYSA-N 447.301 1.406 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C 2267493476 ZUDMHWCZHZKGJJ-MZBDJJRSSA-N 446.357 1.705 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267494428 RNURKQZDSRXSCQ-OAHLLOKOSA-N 449.357 1.860 30 10 IDEE C=CCC1(NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267539969 OLAUMRHASGAVNK-UHFFFAOYSA-N 447.345 1.410 30 10 IDEE Cc1cnc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267578750 YJTQVMGWQGRTLT-HNNXBMFYSA-N 449.357 1.647 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NCc2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2268651894 RBSZXTWFTQZVRE-UHFFFAOYSA-N 446.353 1.831 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCS[C@@H](CO)C3)cc2Cl)OC1(C)C 2282831517 AFKQWXMTNQGMGI-SNVBAGLBSA-N 439.817 1.799 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)NCC#Cc1ccccc1)NC(=O)OCc1ccccc1 2286043316 FBWDKQNCNXGQRQ-IBGZPJMESA-N 430.482 1.426 30 10 IDEE CS(=O)(=O)C1(C#C[C@]2(OCC(=O)O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2367793628 DEGFAPRJZMSWFO-HXUWFJFHSA-N 435.498 1.840 30 10 IDEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105284746 RXTYWTXBOYRADC-UHFFFAOYSA-N 427.530 1.945 30 10 IDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCN1CCO 427433590 FNCGDSPPDUFTKM-HNNXBMFYSA-N 426.448 1.953 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 443693614 PFHNNXUSNJWZAT-UHFFFAOYSA-N 436.759 1.711 30 10 IDEE CC(C)c1ccc2ncc(C#N)c(N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2c1 447670545 MWUODOPZZVYCKR-UHFFFAOYSA-N 429.546 1.929 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2COCCO2)n1C[C@@H]1CCOC1 461589106 PSCPBYFDZBIEOI-VQTJNVASSA-N 427.505 1.927 30 10 IDEE Cc1cc(Cl)cnc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 463631312 WTONQMHCTUQNMS-UHFFFAOYSA-N 447.904 1.387 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)c1C#N 472088257 XQGHPQUAHMLIMA-UHFFFAOYSA-N 442.499 1.003 30 10 IDEE CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 507501326 NBVAMDSRTHPGQU-UHFFFAOYSA-N 435.527 1.698 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCOC1 532755790 BVGWJGJXZOQZEH-HNNXBMFYSA-N 439.493 1.727 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 533277280 CZRJJVBCIHIRPZ-UHFFFAOYSA-N 431.518 1.437 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)n1 544833673 KWERTSNQPVNTFO-GOSISDBHSA-N 439.541 1.703 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2C[C@H]2CCCO2)c1 549850043 IZQMXHQYUSPSJF-OAQYLSRUSA-N 449.559 1.740 30 10 IDEE Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1C[C@H]1CCCO1)CC2 555365946 PNQOJCBVSCAKRJ-LJQANCHMSA-N 447.499 1.564 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNCc2cnc4ccc(C#N)cn24)CC3)CC1 563239560 RBCXVVGHANTJGF-QGZVFWFLSA-N 432.532 1.142 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 570828899 DEDZXELWFUYOLS-QGZVFWFLSA-N 439.582 1.727 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 572053828 ZMSKKGQZPQWWOV-UHFFFAOYSA-N 432.546 1.524 30 10 IDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 580099309 ZLYLOEVQWTWYBA-NRFANRHFSA-N 443.577 1.839 30 10 IDEE N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCC1 582837831 HPAFOYIKSHXPEC-INIZCTEOSA-N 427.548 1.257 30 10 IDEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)c1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 585831872 ZDPCUCUPLMMFTP-XMCHAPAWSA-N 430.464 1.520 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NCCc2ccccc2)nc1C 586347466 HBJHLSBPAHBTDM-PMERELPUSA-N 449.554 1.840 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(N)=O 589157157 NAHWWNNCXQRQRF-UHFFFAOYSA-N 441.553 1.529 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)oc1C 603989591 GLAXPJQEVVGSTE-CQSZACIVSA-N 444.509 1.505 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 609739138 BUAGLNUFFZXALN-INIZCTEOSA-N 427.501 1.318 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCN(CC)CC3)nc2)c1 614607196 RRXAFFJWGBDMSC-UHFFFAOYSA-N 443.573 1.618 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 670197769 FKWOTGSNPYAUGA-MSOLQXFVSA-N 438.598 1.252 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(F)cc2)cc1 728527795 PTCCGANRMBODRS-SFHVURJKSA-N 447.513 1.891 30 10 IDEE O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCCN/C(O)=C1\N=CC=CC1=O 731861446 BLMJYJAGJXQHSX-VHEBQXMUSA-N 441.513 1.370 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(-c4ccccc4)[nH]3)nc2)CC1 741457750 VDLRMHUTFAQLGG-UHFFFAOYSA-N 425.518 1.854 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)C[C@@H](C)O1 746151667 ABBJAXGZMUTQJI-KNWBJPGPSA-N 426.473 1.791 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(OCC)cc2)C1 760303399 BXFOMVWYDXQBSY-RDJZCZTQSA-N 447.561 1.957 30 10 IDEE CS(=O)(=O)CCOc1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760921854 AWMFTSRUWGKVGB-UHFFFAOYSA-N 429.502 1.731 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(Cc2ncn(C)n2)C1=O 768422389 RDOSNPMDWLPUIJ-OAHLLOKOSA-N 449.968 1.668 30 10 IDEE C#CCC[C@H](O)CNC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 798465821 KWBQTCNEEDVRBC-IPMKNSEASA-N 429.517 1.744 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807929025 LSLMZDRQYYSBEV-SFHVURJKSA-N 443.577 1.713 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 816692124 HBBVLZBZCIZKFN-CQSZACIVSA-N 435.424 1.212 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1 1127138157 CMZWRZPGOADVDL-ZACQAIPSSA-N 429.521 1.912 30 10 IDEE C[C@H](CC(=O)NCCCNC(=O)c1ccccc1F)/N=C1/NS(=O)(=O)c2ccccc21 1148561483 POSCNAMHAZBYAQ-CQSZACIVSA-N 446.504 1.579 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1167535297 NHXHKZKQYZLPLW-UHFFFAOYSA-N 429.454 1.996 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)NCCCC#N)CC[C@@H]32)CC1 1226132255 DTTDOYDWVLDPJR-IRXDYDNUSA-N 434.541 1.867 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(CCc4cnccn4)CC3)C2=O)cc1 1234025020 VPLSAPLZCUDGFL-NRFANRHFSA-N 433.516 1.414 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 1234047983 QCISERWICBLURG-UHFFFAOYSA-N 448.527 1.259 30 10 IDEE N#Cc1csc(CNC(=O)N2CCC(n3nncc3I)CC2)n1 1251296834 YJVSJEMIPPKWKQ-UHFFFAOYSA-N 443.274 1.758 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1286298253 HNOGNKKNOQPCSO-LSDHHAIUSA-N 435.550 1.990 30 10 IDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286347700 PWVXWKQHASYESA-GOSISDBHSA-N 448.549 1.573 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1286369263 JSWWNQDTQRBDRZ-KRWDZBQOSA-N 435.532 1.465 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286387234 BRZUZYHFQDQYFB-INIZCTEOSA-N 446.529 1.114 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1286408569 DCPDMILSZZZJOY-GOSISDBHSA-N 443.548 1.964 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CCOC2)CC1 1286476417 XEXPOPALXDDFDO-HXUWFJFHSA-N 446.349 1.614 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2c(F)cccc2F)CC1 1286483630 RPXICOIQSPHGKU-UHFFFAOYSA-N 428.487 1.677 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1286607324 OLVVJFYSGNUNGJ-UHFFFAOYSA-N 429.569 1.820 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2COCCO2)CC1 1286641308 VZYKYQJVKBIZEC-GOSISDBHSA-N 447.561 1.767 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286699272 BBPZVZOLBPUTAJ-GOSISDBHSA-N 435.594 1.985 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286791363 RYCVTOYLGBWJBK-OYHNWAKOSA-N 447.486 1.834 30 10 IDEE Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](O)COc1ccc(I)cc1 1294800204 BOCHAQPXIFVNRD-CYBMUJFWSA-N 425.226 1.969 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1295877175 GZHFOEHIXXJSFA-UHFFFAOYSA-N 444.561 1.733 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1300272024 KBRQLSOUCWRHOG-ZIAGYGMSSA-N 428.522 1.180 30 10 IDEE C#CCCCn1c(CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1300411370 HLJWKYAPKXXTOI-PMPSAXMXSA-N 437.566 1.380 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1N1CCOCC1 1300666322 XADYUUCQSARDJR-FQEVSTJZSA-N 440.548 1.886 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1300789130 ZJIGXOSQLFRFMT-LJQANCHMSA-N 447.337 1.887 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301033530 DZJDCSPJZARUBI-INIZCTEOSA-N 432.960 1.564 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301040950 ILXSVYDJBLMEEE-IPELMVKDSA-N 436.988 1.913 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301492886 QPSQDTJXFAWCGW-MRXNPFEDSA-N 445.955 1.454 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](OCCOC)C1 1301493458 ZJJJARDPCRFISU-KRWDZBQOSA-N 443.504 1.260 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)OC(C)(C)C1 1301497436 WRBUUQOLDFOVHF-AWEZNQCLSA-N 437.504 1.900 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1301593816 UXCAMFCWHHMAJP-OXJNMPFZSA-N 442.582 1.535 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C)[C@@H]1C 1301596511 QMKABBIEZAANNT-QAETUUGQSA-N 444.623 1.933 30 10 IDEE COC(=O)CCN(CC#N)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1302618096 MRSZOCXYNCMOKW-KRWDZBQOSA-N 447.488 1.928 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1303770741 BPDGPGDQLKONAB-VLIAUNLRSA-N 430.534 1.164 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1315997172 HFVROUFCVBDQSK-QGZVFWFLSA-N 438.532 1.962 30 10 IDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1325220820 RFLZUZWWZNYETH-KRWDZBQOSA-N 438.546 1.908 30 10 IDEE N#Cc1ccc(OCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1Br 1352234449 CZTFDMAERCHIKI-UHFFFAOYSA-N 431.250 1.770 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Cc1cccs1 1358948769 LADNGXWHZQECDC-WBVHZDCISA-N 437.591 1.621 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)CC=C)CC1 1359039166 YQGIOMYFGRIOCP-UHFFFAOYSA-N 443.573 1.522 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359052537 INXWCBBEGJWPBX-GOSISDBHSA-N 449.602 1.838 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359216593 YQXYXQGRELNTQH-MRXNPFEDSA-N 433.534 1.702 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1)C1CC1 1359246813 MCGKDYRLKMKVAM-HNNXBMFYSA-N 426.587 1.154 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1359272328 PMNDGORFUKBNFW-VGOFRKELSA-N 449.552 1.916 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCCOC)C1 1359300468 CJNXSUQLJLMYAU-QFBILLFUSA-N 443.504 1.335 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359331527 BRTZZGMOIIYBAA-UHFFFAOYSA-N 428.518 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359333843 LUBSXJYNRXAZOU-IBGZPJMESA-N 435.575 1.390 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359341612 BWYUONGNEZKIAL-AEFFLSMTSA-N 434.610 1.838 30 10 IDEE C#CC[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC 1468875486 LYIBPSSGJIQSJN-CQSZACIVSA-N 427.498 1.429 30 10 IDEE CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)o1 1498259645 AYOAUOJRLIKBQA-YVEFUNNKSA-N 425.490 1.237 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](COC)OC 1499327894 BUIUXIDYIGJJHN-MSOLQXFVSA-N 428.493 1.105 30 10 IDEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1503569453 GMJTYRHCSFUQQJ-SFHVURJKSA-N 425.461 1.458 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1504651821 ORBKUZYROBYIBD-QFIPXVFZSA-N 425.489 1.663 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1507513588 ANWMIZGMBDHOGQ-IAGOWNOFSA-N 445.593 1.780 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507560116 BQPQWTMVKNGVLL-DLBZAZTESA-N 436.582 1.141 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1507616352 JKSWCLIWGXRRIX-ICSRJNTNSA-N 443.573 1.801 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)OC(C)(C)C 1507676927 SHSIMTABRPCMPZ-ROUUACIJSA-N 431.537 1.990 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1507727257 PDLJYOYGBFPEFA-UHFFFAOYSA-N 444.543 1.883 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CS(C)(=O)=O)CC1 1507772402 PQSTYNHPJMZIEN-ABSDTBQOSA-N 436.578 1.819 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1507802970 AFYHHSBHELVREA-PXNSSMCTSA-N 431.537 1.771 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1snnc1C 1507821079 TYFANLXRLNEGRD-AWEZNQCLSA-N 441.583 1.222 30 10 IDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508067698 PAOWMGBTLBWGTB-IAGOWNOFSA-N 432.569 1.556 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1508070688 BFTQXCNSXYMZPP-LJQANCHMSA-N 445.612 1.667 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508073457 NJGYHEHJKZYVMZ-OAQYLSRUSA-N 426.477 1.287 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508080655 CXVKJZQMGIMXBB-UHFFFAOYSA-N 449.563 1.315 30 10 IDEE CC(C)OCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1509875959 KSFLCBGPQJWGNB-ROUUACIJSA-N 440.552 1.974 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1COc2ccccc2O1 1510172979 FXJNFMJXAUCBON-HOCLYGCPSA-N 446.533 1.468 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC2(C1)OCCO2 1510176573 QCYDFDLQVOVPMY-GDBMZVCRSA-N 438.554 1.171 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1516021333 DAYKKWASHFBYOL-IEBWSBKVSA-N 444.561 1.761 30 10 IDEE CCOC1CC(O)(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1516396453 AWYXPEPAKDROPD-UHFFFAOYSA-N 439.564 2.000 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCSCC1 1519320580 QOOAPQHPKVUVBN-MJGOQNOKSA-N 449.625 1.227 30 10 IDEE Cn1cc(CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c(-c2ccc(C#N)cc2)n1 1528593078 CRZJYFDTLIWGTP-UHFFFAOYSA-N 425.489 1.671 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1539016754 VKSQTYFBRPQEKT-RBUKOAKNSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1539232049 YWLQKPZCZBHEHE-FYQPLNBISA-N 448.589 1.985 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539899921 BCPIUIUCBITQGP-HNNXBMFYSA-N 443.556 1.551 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1540871166 FXVQFMKSGHHTEQ-GOSISDBHSA-N 438.532 1.483 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1540872918 FWJOJKBYAKZEMA-KRWDZBQOSA-N 439.545 1.909 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCC2)CC1 1540874951 XAELCUDMJPJVSO-UHFFFAOYSA-N 443.577 1.246 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1540876623 WUOOTIQWQPCMFA-UYAOXDASSA-N 446.596 1.946 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1540907922 MLUBTLYOPQTOSN-JKSUJKDBSA-N 441.561 1.902 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1541233276 HKBVLDIGNMHPMK-WYIRRWHOSA-N 431.522 1.201 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1541798039 APEOVWYDDWXQIV-AWEZNQCLSA-N 433.538 1.877 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1543379362 ZFLOXXBOVWWWIZ-YYDVJCTNSA-N 428.533 1.983 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 1544791622 NROIVFINTLZGEP-UHFFFAOYSA-N 431.308 1.918 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNS(C)(=O)=O 1545533830 SGKYVCDFRWUXGL-MRXNPFEDSA-N 446.581 1.324 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1554353388 XCJZDRGWWFCWNO-QRWLVFNGSA-N 432.431 1.754 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1554375090 ZLVUVIOTPWOZTP-ZDUSSCGKSA-N 425.493 1.089 30 10 IDEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)CC1 1555818623 CMOUILXNZWYFDC-PMERELPUSA-N 427.534 1.967 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1555985820 AVOXSDXHHZCQJS-HRAATJIYSA-N 425.468 1.493 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)C1 1557243613 WHESSCPLBOWOIX-UYAOXDASSA-N 434.500 1.786 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1558997983 LVCTVUUXRNEQQN-LIRRHRJNSA-N 443.485 1.790 30 10 IDEE O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O 1559817612 GXVVCUYHMDASFS-ROUUACIJSA-N 425.485 1.656 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]21 1564416704 ASNQEHZSZQRVJO-QZWWFDLISA-N 427.567 1.874 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC1 1585000176 QDQIXJWXLOUWSB-LJQANCHMSA-N 432.565 1.450 30 10 IDEE C#CCN1CCCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1586496996 HKUBLNASTNFZGA-UHFFFAOYSA-N 434.743 1.531 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1C 1586953700 VFYOQRKUYUDHDS-UHFFFAOYSA-N 428.518 1.696 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1587640418 REIAJNLNPFXVSE-DOTOQJQBSA-N 445.545 1.164 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1587798872 UTWPBNZHXMBEGY-UHFFFAOYSA-N 440.552 1.210 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1588011813 KXYAGXAYUIUHQF-JOCHJYFZSA-N 433.560 1.824 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588029056 CWBPMCFJVOJYDS-RTBURBONSA-N 437.610 1.385 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1588065025 RQZQRDLEOUIFQQ-SJLPKXTDSA-N 442.545 1.178 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1588628789 PAFOEWMDLQHDHM-HKBQPEDESA-N 442.545 1.047 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C)ccc1OC 1588646250 IHSQUMAITLLAQB-LJQANCHMSA-N 446.573 1.826 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595477625 WUJSBBFOSOBEEO-IAOVAPTHSA-N 445.451 1.974 30 10 IDEE N#C[C@]12CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@H]1CS(=O)(=O)C2 1616336865 SWFCBAUGWWXIOU-YVEFUNNKSA-N 435.303 1.645 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1617375975 WWBWWUPTPCGFFK-KRWDZBQOSA-N 445.549 1.067 30 10 IDEE CN(C)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1617668577 BSABUAQKROUCFK-JXFKEZNVSA-N 432.525 1.736 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1626424345 IGSQRYMINZOVCG-ACJLOTCBSA-N 432.443 1.983 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CC[C@](O)(CC#N)C2)c1 1627463485 AQHRZESKPAWDHT-HXUWFJFHSA-N 438.550 1.266 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(CCS(C)(=O)=O)C3CC3)C2)C1 1631916527 UAILQWVQSBEKEQ-CHWWFWEZSA-N 425.551 1.809 30 10 IDEE COC(=O)c1ccc2c(c1)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CCC2 1632428391 NXWAPMDHBMAFGN-SFHVURJKSA-N 441.509 1.859 30 10 IDEE Cn1nccc1C1(O)CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1633017476 IHLMHWZIZMHIES-LJQANCHMSA-N 437.500 1.856 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C1 1634554661 FYBQHPVONZMAIG-QGZVFWFLSA-N 425.501 1.579 30 10 IDEE C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635777090 JSCDMKBGDMUMMR-DOXZYTNZSA-N 428.555 1.650 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)C1 1635972995 GYPZRXNJXDZKKR-YNAXMUEKSA-N 430.427 1.964 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2sc(C)nc2-c2ccc(OC)cc2)CC1 1636480058 KDZZVCMENFUHOM-UHFFFAOYSA-N 448.570 1.281 30 10 IDEE COc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)cc1O 1636691034 NNUHCHKRFNDLSS-ZBEGNZNMSA-N 444.307 1.243 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)cc1 1637432025 CUGIDCTUUYQYRL-HSZRJFAPSA-N 434.544 1.681 30 10 IDEE CN(C)CCn1c(O)nc2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 1638203405 PAMARPBHAGELQZ-WBVHZDCISA-N 442.520 1.792 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(COc3ccccc3)cc2)c(=O)n1CCO 1641368648 PEWKLKYDGGRKSJ-UHFFFAOYSA-N 448.479 1.078 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)C(=O)C1 1641927152 RDGKKOCCSPBINB-UHFFFAOYSA-N 427.505 1.739 30 10 IDEE C#CC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1)C(=O)OC 1642411416 VMNUATMUQTVVTK-NHCUHLMSSA-N 440.521 1.792 30 10 IDEE CCN(CCC(=O)N(C)CCC#N)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1647785038 ZPGKCHMSURUETL-GOSISDBHSA-N 437.585 1.928 30 10 IDEE Cc1sc2ncc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c(=O)n2c1C 1649040901 KKUZYAUMMBKNRN-UHFFFAOYSA-N 426.454 1.891 30 10 IDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1655843822 JMDBBDRIROBAJD-MOPGFXCFSA-N 437.585 1.246 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OC 1663616967 YTJBOXVFFDXOHO-JTQLQIEISA-N 433.284 1.287 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1667395192 CUHQMHMANUCVGU-QGTPRVQTSA-N 437.518 1.725 30 10 IDEE C#CC1(O)CCN(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CC1 1682816769 CYIGIYZDXHFLSA-UHFFFAOYSA-N 445.516 1.974 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1684304431 MMSCHVGGDYUHFQ-OAHLLOKOSA-N 429.926 1.403 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1689980389 QWSIFFDEBGGCEN-FUHWJXTLSA-N 448.545 1.383 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1689983508 CLHLZCFVWIYPDV-AWEZNQCLSA-N 438.912 1.889 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1690100936 INIPUDVVAXNQII-UHFFFAOYSA-N 442.442 1.586 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1690104546 ZEOHQJLABDZQBT-FQEVSTJZSA-N 448.483 1.419 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCO[C@H]2CCOC2)CC1 1690119419 FAZFRLFBRHXVDZ-IBGZPJMESA-N 425.533 1.905 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690139421 LRGJSCVTLBVRBU-GOSISDBHSA-N 438.532 1.727 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCn2cc(Cl)cn2)CC1 1690142050 GRWBJNBWJSGJMY-UHFFFAOYSA-N 426.912 1.789 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690313269 PBXFGNFAGYLSRX-ROUUACIJSA-N 439.582 1.078 30 10 IDEE C=C(C)COCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OC(C)C)CCOC1 1690320111 JWOSJJAKMUXYSK-NRFANRHFSA-N 431.541 1.832 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)CC1 1690396621 HUWNUTKYYGSZQX-CQSZACIVSA-N 432.550 1.438 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nncn2CC)C1 1690687776 JDWAIULWXYSKJO-LAUBAEHRSA-N 431.541 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2cncn2)CC1 1690724366 NGAUXLRSZXIRJE-GOSISDBHSA-N 449.581 1.281 30 10 IDEE CCOCc1nnc(N2CCC(C#N)CC2)n1CCNS(=O)(=O)c1ccc(C)s1 1696272252 FILKNTQPYCUPSH-UHFFFAOYSA-N 438.579 1.903 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1698155792 LPBYKDIVJJSODE-RJCBAWPRSA-N 432.525 1.909 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC=CO2)c1 1698293502 GANUOGIEGWNELB-IAGOWNOFSA-N 429.502 1.770 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1705532403 NFTQIJWOCSAFIL-KRWDZBQOSA-N 446.552 1.844 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705558696 FVCBUMPJCKIVDG-LJQANCHMSA-N 443.573 1.594 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1705567509 YETZQODCDSTDCE-GOSISDBHSA-N 429.546 1.868 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1705567862 BDCVFEIXIZCSOB-SFHVURJKSA-N 432.546 1.829 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1705575642 RHUKDAHINLEJQO-LJQANCHMSA-N 431.338 1.186 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1705634675 FTLXOILHVNNNAH-RBUKOAKNSA-N 433.553 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CSCCS2)CC1 1705652576 FJIJXCPLHRKVFO-DLBZAZTESA-N 435.619 1.944 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)COC)CC1 1705700151 PGNNZNQPVSZXIT-VQIMIIECSA-N 427.509 1.011 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1705876403 XBOKDBZBOSEBNE-SFHVURJKSA-N 435.525 1.977 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](C)C1 1705937787 FEADFLPRKXUXBF-GASCZTMLSA-N 437.591 1.963 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCSCCCO)cc1 1712880169 ZWNGCKFQTOTIDF-OAQYLSRUSA-N 426.546 1.649 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722334364 FOLWJCWLKCCIMH-LJQANCHMSA-N 428.562 1.682 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722372009 ZXINMVUOJRLZRA-RBUKOAKNSA-N 435.594 1.632 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1722413914 SLWGNQDZHLIXNL-LJQANCHMSA-N 446.577 1.207 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)CC1 1722445686 WCLUGGYTSIYMAT-UHFFFAOYSA-N 443.515 1.442 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1722446872 ANVSLKOANHRYCP-WSTZPKSXSA-N 440.548 1.176 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](F)COC)CC1 1722449113 MNHGTASEQHOKOS-IBGZPJMESA-N 443.523 1.828 30 10 IDEE C#CCSCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722463451 CLSYVDZDIYJESD-OAQYLSRUSA-N 435.594 1.744 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1722688301 ASCQWQFOHSMIIY-WBVHZDCISA-N 444.511 1.964 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](C)C1 1722696003 XKOSTRLXYJSFLA-AWEZNQCLSA-N 425.522 1.165 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2nc(C)ns2)CC1 1722697989 RXYFCFRYUDONFJ-UHFFFAOYSA-N 427.538 1.452 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)COCCO2)C1 1722720636 NGZQSONVINUSLM-KKSFZXQISA-N 447.561 1.856 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1722748619 HIONIQKNPJVSCS-INIZCTEOSA-N 425.493 1.332 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1723221056 BUBAOWPWRJLYLU-SFHVURJKSA-N 432.550 1.569 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1723936864 MEQWNVVHHDCQOB-IFXJQAMLSA-N 434.522 1.408 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COCCO1 1729566949 OHCOJKIJRAICGG-UONOGXRCSA-N 437.298 1.190 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[C@@H]1C 1730387410 LOCYJRGPDVNQKE-KLHJMIIUSA-N 445.545 1.228 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1731184688 HJKQYRLCYPHYPW-QGZVFWFLSA-N 431.518 1.390 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1740632051 GQFUXXGUSWILSU-UHFFFAOYSA-N 428.298 1.196 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1740639893 GXOAHHPHNFWSRM-IBGZPJMESA-N 448.552 1.702 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nnc(CC)s2)CC1 1740691901 CBRMMUNBOXZPFQ-FQEVSTJZSA-N 431.566 1.148 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1740697871 IMLFYDOEVRVKFH-UHFFFAOYSA-N 430.553 1.280 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 1740794085 OXGOSOCFVMMBHB-UHFFFAOYSA-N 439.520 1.998 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740955832 AWZNTIYGMLVVHS-HXUWFJFHSA-N 449.964 1.916 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1740960233 NTCKRDYRLNJLIS-QGZVFWFLSA-N 442.520 1.256 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccs2)C1 1740972745 MJVMQVQJSCSLGO-HUUCEWRRSA-N 425.580 1.974 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1741284616 JFHHRIKQHHOEQQ-QHCPKHFHSA-N 435.532 1.695 30 10 IDEE C[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1742012726 DARAVMSKUGYCKJ-RTBURBONSA-N 434.497 1.517 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1742655250 VDPIELUITWANBZ-UHFFFAOYSA-N 449.519 1.350 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1748698998 KQSGDHMBDJXBGM-OAHLLOKOSA-N 427.571 1.527 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1748700049 VPULTBQRIJRNDL-JXFKEZNVSA-N 439.582 1.466 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1748757708 ICQPPLPVILVJGH-OAQYLSRUSA-N 449.603 1.723 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1748826517 UVYUCRVNIRQPHX-ROUUACIJSA-N 434.610 1.472 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748921024 WUDXLDPCFRQVCH-UHFFFAOYSA-N 430.516 1.543 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(C)(=O)=O 1748956577 HQRKTXCOBQGDMH-UHFFFAOYSA-N 426.926 1.738 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ncnn1C(C)(C)C 1748969445 VNLDMDGVKNHCLN-UHFFFAOYSA-N 425.541 1.621 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1748984107 MKIXNRGLERQEAY-LSDHQDQOSA-N 449.490 1.366 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(C)=O)nc2)CC1 1749304139 VVZXAIKJMUMCBI-KRWDZBQOSA-N 430.534 1.738 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1749612503 FLWFTVAXRRAKDN-GCJKJVERSA-N 429.521 1.990 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1749653107 WEINWJYTLYYZQP-CABCVRRESA-N 443.483 1.073 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749671872 LWRTYJDLRUXRHV-UHFFFAOYSA-N 430.475 1.674 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC)C1 1749719409 UWLDGYSDWCPMQY-BRWVUGGUSA-N 441.598 1.527 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C(N)=O)C1 1749726733 CGKBRXUYGOWIOX-LBPRGKRZSA-N 441.916 1.650 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749729799 SEQSFNWBKHJRDC-RHSMWYFYSA-N 449.964 1.914 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1750203322 CAJCMWYDLNOSSJ-HOTGVXAUSA-N 431.474 1.366 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1760116557 IIRDYUBNYRIQKA-LSDHHAIUSA-N 428.518 1.394 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187771 GIPNSNDEOHROET-LXPRWKDFSA-N 444.561 1.567 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1760189108 NPAJEYGPVXMMGN-HNNXBMFYSA-N 433.534 1.679 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(N(C)C)CCOCC1 1760204926 HYKBDSQLLIBRKT-UHFFFAOYSA-N 431.544 1.700 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)C 1760218113 XVECPQSCLMTVOB-UHFFFAOYSA-N 431.500 1.972 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1760277127 AXZIMDBZONETLF-UHFFFAOYSA-N 437.573 1.441 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O 1760329081 OJHSPFZVWFDUQL-UHFFFAOYSA-N 433.538 1.363 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1760419600 WYWIYHJTWBCJCZ-INIZCTEOSA-N 433.582 1.949 30 10 IDEE C=CCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760513093 JXOBCUDRIZRIGK-QRWLVFNGSA-N 430.513 1.037 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1760524727 HHRJUJDSMRPOMX-UHFFFAOYSA-N 435.525 1.324 30 10 IDEE CCOCc1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766334491 RCMFXBQRUPSTLG-CILBIJLJSA-N 430.509 1.348 30 10 IDEE CN(Cc1cnccn1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767146972 ZNUPZJZXHZWREZ-MRCUWXFGSA-N 436.520 1.964 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1768517639 BRVPEAFRZRTAIR-MOPGFXCFSA-N 439.520 1.330 30 10 IDEE COCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1770160004 RNSVJQKYSOPBAI-OAHLLOKOSA-N 425.493 1.593 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)OC 1770782211 XDEUFAJVEDJWSX-UGKGYDQZSA-N 443.504 1.386 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1771267559 QERMHLLBTOPMGN-UHFFFAOYSA-N 449.515 1.526 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)C(F)(F)c3ccccc3C#N)CC2=O)C1 1774180590 XKKHYVZORNZPJH-AWEZNQCLSA-N 434.443 1.986 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1849508887 SUCPXRJDEDEDQN-UHFFFAOYSA-N 426.498 1.644 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1 1850051383 FOQPORBNLWOYCS-UHFFFAOYSA-N 442.541 1.533 30 10 IDEE C=CCC1(S(=O)(=O)N2CCC(NCc3nnc4ccc(N5CCCC5)nn34)CC2)CC1 1853599387 NQZHFJGQGRKQNW-UHFFFAOYSA-N 445.593 1.717 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3O2)C(=O)C1 1853948423 NCAQTLADZLEOIJ-SFHVURJKSA-N 425.466 1.312 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CCN1S(=O)(=O)CC#N 1854693634 FOGBBUMQUZWFBC-WDEREUQCSA-N 434.301 1.673 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)[C@@H](C)C2=O)CC1=O 1856317866 LMMRHHVKRZRCNF-DLBZAZTESA-N 433.530 1.086 30 10 IDEE CN1Cc2ccccc2C[C@@H]1C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1856458051 DBAYJVKFMZXSRG-AZUAARDMSA-N 427.482 1.463 30 10 IDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C1=O 1856466569 VKJBMOVVJMNCLJ-DLBZAZTESA-N 438.937 1.466 30 10 IDEE Cc1ccc(C)c(OCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857067574 ZHBALEBKHGOPAQ-GOSISDBHSA-N 433.530 1.623 30 10 IDEE N#C[C@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)[C@H]1CCOC1)CC2 1857232282 RWSOSEQZEREOFH-GOEBONIOSA-N 429.498 1.453 30 10 IDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2CCC(CO)CC2)n1 1871656655 FXFLBUVPTHJEMT-UHFFFAOYSA-N 438.580 1.596 30 10 IDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1O 1874338757 XJVKWNCKYCJPKC-OOMAIKSQSA-N 432.506 1.176 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccc(O)c1 1874436302 VHMLPFUNDIWJSX-WYMPLXKRSA-N 438.513 1.911 30 10 IDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232765 XYYMQCVOHDUSTI-UHFFFAOYSA-N 444.517 1.322 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC(COc3cccnc3C#N)C2)c1 1891892086 BEJIVULUWYRTNG-FQEVSTJZSA-N 440.525 1.952 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1904844910 NGSICWLBXVBXAH-OWCLPIDISA-N 427.546 1.298 30 10 IDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NCc1occc1B1OC(C)(C)C(C)(C)O1 2063213623 PMVUFBFDXCYIJE-UHFFFAOYSA-N 433.318 1.766 30 10 IDEE CC[C@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2108228346 OWGOXIARJUQQFP-ORAYPTAESA-N 425.482 1.903 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247907459 CHUCYLYOBJKJLD-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2255526640 XFWIONLTEGCZKX-CQSZACIVSA-N 438.305 1.740 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255648324 BNLTUCUSRZDKMZ-UONOGXRCSA-N 434.346 1.895 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2255649184 QWGDSCWHIGAQSM-KBPBESRZSA-N 434.346 1.847 30 10 IDEE CCn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653087 DTQULIFFTOVWJD-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE CC1(C)OB(c2occc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255712089 IMKVHYWDKBQQKK-HSZRJFAPSA-N 426.322 1.946 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2255864338 UZEXNMNIRCMDHR-QHCPKHFHSA-N 425.338 1.681 30 10 IDEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2256740130 RUHGPZFRWXBKHE-BZUAXINKSA-N 440.346 1.940 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267001671 ODDAHJJGFBLDRV-CYBMUJFWSA-N 441.259 1.912 30 10 IDEE Cn1nc(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267133725 GHACPUQPNXZMHF-QFIPXVFZSA-N 446.357 1.945 30 10 IDEE CC1(C)OB([C@H]2C[C@H](C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C3)C2)OC1(C)C 2267190031 IYSPKKZBJGGNHW-CYDGBPFRSA-N 447.263 1.240 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2267266649 QYOQIQSHRKSYOR-NRFANRHFSA-N 449.361 1.491 30 10 IDEE Cc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1C#CCCO 2289564739 CLSOEKHNDQVSIT-UHFFFAOYSA-N 426.494 1.445 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)C(CO)(CO)NC(=O)OC(C)(C)C)CC1 2320977319 BVQJHFVARGZMMY-UHFFFAOYSA-N 440.346 1.415 30 10 IDEE O=C(O)C=CC(=O)[C@H]1CNCC[C@H]1NC(=O)c1ccc(I)cc1 2328239593 ZEZHPTYOGSSQMY-QWHCGFSZSA-N 428.226 1.209 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1(C)C 2352398551 UIMWJRQRHAARDP-ZDUSSCGKSA-N 449.361 1.632 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCN(c4ncccn4)CC3)cc2C1=O 29951659 WHBVYFRZIAHSJY-UHFFFAOYSA-N 434.500 1.201 30 10 IDEE C=CCN1C(=O)/C(=C\c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 33362131 GHTRZJSOLIODBV-NTCAYCPXSA-N 446.554 1.811 30 10 IDEE N#CCCN(C(=O)CCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccccc1 110940484 XPZIQMGTFOIKEY-IBGZPJMESA-N 426.517 1.811 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)cc1 446527104 OXMSVUYJIJTMBQ-UHFFFAOYSA-N 427.486 1.670 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cn1 462081967 ACNQWNYFPXNFMY-UHFFFAOYSA-N 444.499 1.999 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cn1 462091297 SEQAJBPVSYWUFC-IAGOWNOFSA-N 430.490 1.339 30 10 IDEE C[S@](=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 475610623 XAULELSNNIURIN-NDEPHWFRSA-N 432.527 1.834 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478747990 QKJWSKMECSLSRQ-JKSUJKDBSA-N 428.510 1.489 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNS(=O)(=O)c2cccs2)cc1 503739269 SLTMKQOFGHHRDC-AWEZNQCLSA-N 436.540 1.438 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@H]2CCCO2)c1=O 505700148 NBQSKUPVLHJJHZ-QGZVFWFLSA-N 434.521 1.517 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)CC2)n1 546211903 LSOAVWCSFCETQZ-UHFFFAOYSA-N 449.515 1.578 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 549693582 RNONAAZIUCKQTD-HOCLYGCPSA-N 438.554 1.865 30 10 IDEE N#Cc1cc2c(nc1N1CCN(c3ccc4c(=O)n(CCO)cnc4c3)CC1)CCOC2 585568903 MGXCRIBWEJZNLR-UHFFFAOYSA-N 432.484 1.055 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C(=O)NCc3ccc(C#N)cc3F)C2)c1 586861116 WPFTZEBWCIUFPZ-INIZCTEOSA-N 440.475 1.973 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 609724936 UAIQVVFHQKABOK-QGZVFWFLSA-N 442.541 1.578 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c(OC)c1 614904368 KGRWUJMBCSBXCC-QGZVFWFLSA-N 442.537 1.834 30 10 IDEE CN(CC(=O)NCC#CCNC(=O)CN(C)c1ccc(Cl)cn1)c1ccc(Cl)cn1 681341219 VBBQJUOOIOGGMR-UHFFFAOYSA-N 449.342 1.592 30 10 IDEE CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730141009 YNZNNOOLLXMIMA-QGZVFWFLSA-N 444.561 1.082 30 10 IDEE CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O 732468157 DWESLQHIPFUUAA-ZDBRSUKYSA-N 431.880 1.613 30 10 IDEE COc1cc(N2C[C@@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2=O)cc(OC)c1OC 732648934 WSGQSKGGNPDMCK-WMLDXEAASA-N 428.489 1.264 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccccc2C#N)c1=O 743726505 PRNAAYYXWIDHRT-UHFFFAOYSA-N 449.561 1.811 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 755030283 MGCSJMXSMKYWSV-UHFFFAOYSA-N 426.271 1.809 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2=O 757592157 JBGWTUAYFJVSOK-DMTCDCDWSA-N 433.509 1.362 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1C#N 759041262 VEHYABYCVDUUAW-UHFFFAOYSA-N 427.424 1.951 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 762599851 XXHZITOBZQOJNH-YJBOKZPZSA-N 435.546 1.973 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](O)COc1ccccc1Br 765548110 FRWNIZAHMLFLEA-LBPRGKRZSA-N 426.292 1.820 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)sc1Cl 771172299 MGFDXHVRECIDQW-QMMMGPOBSA-N 432.770 1.975 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cccc(C(F)(F)F)c2)N(CCc2nnnn2C)C1=O 771529672 HUSDEELCESDNMS-GFCCVEGCSA-N 441.439 1.539 30 10 IDEE COc1ccc([C@H](CNC(=O)[C@H](O)c2ccc(C#N)cc2)N2CCOCC2)cc1OC 780864029 VJIDRBNVOWBBGJ-SIKLNZKXSA-N 425.485 1.799 30 10 IDEE CN(C)S(=O)(=O)CCCOC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 782096484 FRJFECMPNSBHKA-UHFFFAOYSA-N 427.426 1.594 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 788818923 BVHHLEAEZBHKFC-QRVBRYPASA-N 446.573 1.398 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CC(=O)OC)c2cccc(F)c2)cc1 789889827 NNPRMFHTAMAMDU-OAQYLSRUSA-N 432.473 1.946 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)nn2C)cn1 790017058 XVKCNZMPKVWLGQ-KRWDZBQOSA-N 446.581 1.145 30 10 IDEE O=C(O)CCNS(=O)(=O)c1ccc(C(=O)/C=C\c2cnnn2Cc2ccccc2)cc1 792870491 QVOHOIINEAZGAV-FLIBITNWSA-N 440.481 1.976 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C 803564723 CUVMMHDDZMTIFV-ZVZYQTTQSA-N 439.578 1.558 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1 808114025 OGLOCJCAGBTBGF-OAHLLOKOSA-N 445.497 1.861 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(C[C@H]3CCCO3)c2=O)cn1 837843334 ABATXYOMMQHARL-OAHLLOKOSA-N 438.484 1.347 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NN3C(=O)N[C@](C)(c4cccc(OC)c4)C3=O)cc2C1=O 863712476 OSISBWYULVYQBS-HSZRJFAPSA-N 448.435 1.589 30 10 IDEE CCn1cc(C=NNc2nc(SCC(=O)NCc3cc(OC)cc(OC)c3)n[nH]2)cn1 1084399115 IRHGQEATABEMHQ-UHFFFAOYSA-N 444.521 1.893 30 10 IDEE C[C@@H](Sc1ncccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCC1 1116031001 CIJPSQUIYCRAES-RMYFCYLKSA-N 443.529 1.441 30 10 IDEE N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1127972811 ASYNHENDJLXWKV-HNNXBMFYSA-N 442.335 1.587 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3noc4c3COCC4)CC2)cc1 1134245482 BYCJBSCVEDKEOO-UHFFFAOYSA-N 430.486 1.336 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](OCCN3CCCC3)C2)s1 1149992620 NHIIUMHFRZPJCU-MRXNPFEDSA-N 427.592 1.468 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 1152967883 UHSJSMPTAMEBBC-KVSKMBFKSA-N 447.557 1.124 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cn1nc(Br)c(Br)n1 1165507561 FGSWVKVNJYXFIL-UHFFFAOYSA-N 436.104 1.607 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1 1191076973 JKWHSTBHZDWYCF-UHFFFAOYSA-N 439.537 1.858 30 10 IDEE COc1cc2c(cc1S(=O)(=O)N1CCN(c3cc(C#N)ccn3)CC1)C(=O)NCCC2 1208257028 GWHHHFBACHZOAY-UHFFFAOYSA-N 441.513 1.149 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1 1254354045 CHSNZBAQNOQBJX-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1ccnc1C 1286278993 IMRDOCAUGALQNS-MRXNPFEDSA-N 441.561 1.858 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286336599 VBQXKCUJGPPHJU-UHFFFAOYSA-N 430.450 1.950 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCN(C)C1 1286404162 NTWIMLPQUHETGV-FQEVSTJZSA-N 446.324 1.986 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC(C)CC2)CC1 1286473047 NVJHVZCEFDSSPH-HSZRJFAPSA-N 430.597 1.417 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1286547381 OLMNRJOKVVFIOX-ROUUACIJSA-N 433.553 1.783 30 10 IDEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286589016 REUWJBACMDMXFW-UHFFFAOYSA-N 438.532 1.801 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)C(C)(C)C)CC1 1286651372 BSDWKMIJBCXJGM-AWEZNQCLSA-N 447.627 1.504 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286767890 JNTYPLJYOPDINP-UHFFFAOYSA-N 447.540 1.611 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286779802 MWFJRLJUCCTTFA-FXAWDEMLSA-N 440.548 1.413 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286781752 ZLUHNHMJTQRHRX-MRXNPFEDSA-N 435.492 1.303 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1scnc1C 1286787154 PNLRJQFTEXRUGW-UHFFFAOYSA-N 429.506 1.709 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286814682 DSGDTRSFRJTKMM-FQEVSTJZSA-N 449.964 1.916 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1288145286 MHUQMIRDWQTRIN-IBGZPJMESA-N 425.510 1.785 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nnc(S)n2C(C)C)s1 1293439557 YTPLIPCFJNGBNP-UHFFFAOYSA-N 429.593 1.575 30 10 IDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1295968172 AFQVCWONBGXWLJ-JOCHJYFZSA-N 449.519 1.351 30 10 IDEE C=CCC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1297801543 ZGXRFCKOAXANOP-GOSISDBHSA-N 437.562 1.051 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1299367596 CFXSICQCXJEDPF-MRXNPFEDSA-N 443.529 1.641 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)ccc1F 1300061533 DIOXLIFZFLUBRB-SFHVURJKSA-N 426.510 1.588 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(COC)cc2)CC1 1300700319 OELUDVFFAMEKMB-FQEVSTJZSA-N 443.573 1.130 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300765795 LDKJSYGWNBGCRY-KRWDZBQOSA-N 434.591 1.148 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1301273604 TWDKQXUATQGRKB-HKUYNNGSSA-N 448.593 1.412 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1-c1ccccc1 1301412445 BIEUOPVDQQHSFS-UHFFFAOYSA-N 436.520 1.782 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)s1 1301432355 YRYNDSMYFFTFMD-INIZCTEOSA-N 441.619 1.857 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1301484102 AMWGCOSEBBLHKZ-OAQYLSRUSA-N 448.575 1.335 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1301520282 WARKPWCLAWFVJZ-MTNREXPMSA-N 449.552 1.007 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)C1 1301555769 DKUZXMKBWIMFJX-MSOLQXFVSA-N 425.599 1.692 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CCOCCCO)cc1 1302991547 IXQSRTIYDLZFMS-FQEVSTJZSA-N 437.504 1.318 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(CC#N)n1 1303020498 PPGSPRBJSGHZFP-INIZCTEOSA-N 430.486 1.328 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCNC2=O)CC1 1303307538 DMINGPXLWPJXEG-INIZCTEOSA-N 432.546 1.413 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1303759635 CPWGPJWLDRJJPG-OAHLLOKOSA-N 439.520 1.914 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1306646592 MAKAVEJRPAEXTA-QQMHEVNUSA-N 437.504 1.872 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 1308146506 AIDRPZOKEWSJGQ-MRXNPFEDSA-N 441.561 1.700 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@@H]1CCOC1 1314388988 FPCROJZUBKBGPG-LJQANCHMSA-N 441.536 1.603 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1314557394 FHMBDDJPLFNUSA-UHFFFAOYSA-N 428.522 1.126 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1316102145 SNVKOKMNBZGEAD-UHFFFAOYSA-N 448.474 1.372 30 10 IDEE COCCn1cc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cn1 1316114466 DYNKEPMIUXOQPG-KRWDZBQOSA-N 441.467 1.616 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2nnnc2-c2ccccc2)c1 1351600320 HODGQDYEKIPQFU-UHFFFAOYSA-N 430.468 1.213 30 10 IDEE COC(=O)c1cnn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)c1 1358084923 SENSHJYDDHQDSL-PTGBLXJZSA-N 447.517 1.901 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1358967033 BYRHUDCRXXVZEN-OALUTQOASA-N 437.610 1.562 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1359037014 RHFYMXBMBBCPEP-FQEVSTJZSA-N 441.601 1.757 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1359037382 HIISGDVEZKUBKV-KRWDZBQOSA-N 426.487 1.249 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nncn2C)CC1 1359042900 YDORBZFGHFXLAR-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CCOC)c1 1359070993 ZTOXGKFTEHTLNT-FXAWDEMLSA-N 432.550 1.064 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCOC2)CC1 1359179172 NUHFPWUEDVXOBJ-QZTJIDSGSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1359298270 TXEJZGQOSGUESC-FQEVSTJZSA-N 435.532 1.819 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)OC)C1 1359301230 VGBNUHSTDSMGAG-PBHICJAKSA-N 427.461 1.092 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC)C(=O)OC 1448491821 BMXLMWFDONBHQS-JXXFODFXSA-N 429.473 1.819 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1450158502 PFCSVTKZNRIUCM-VIFPVBQESA-N 434.172 1.769 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1463297137 PPJZULOCVORWPI-UHFFFAOYSA-N 438.575 1.542 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCn3ncc(Br)c3C2)ccc1F 1470142731 LXIBAUXGZPSBKZ-UHFFFAOYSA-N 443.298 1.905 30 10 IDEE CSc1nc(O)c(C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1C#N 1472263848 FVLGVHJOWZKZKD-NSHDSACASA-N 434.275 1.831 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1507630525 BCFOIWMRKTYZNU-LSDHHAIUSA-N 449.533 1.058 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1507686398 BIWJZOQHGMBGGK-UHFFFAOYSA-N 434.500 1.824 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)CC(F)(F)F)CC1 1507716907 VYXQHQOZALAFMH-UHFFFAOYSA-N 429.491 1.056 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CC)C2)CC1 1507719038 KJHVOBBPEXMKOR-REWPJTCUSA-N 430.597 1.416 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NCC2CC2)CC1 1507719538 OLMWUXGRSRAGNW-QGZVFWFLSA-N 440.523 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507743066 YEVIGZQFGMNRER-HXUWFJFHSA-N 443.640 1.468 30 10 IDEE C=CCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507953119 GGYHOUPOFLPCGC-PXNSSMCTSA-N 441.598 1.755 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1508036993 SPSRZMIQYQGFDU-YLJYHZDGSA-N 436.534 1.507 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(c2cnn(C)c2)CC1 1508081228 IESJLARJKWUNMT-UHFFFAOYSA-N 440.939 1.961 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1512617282 MLMGMXVJJYEYLB-BSBNDGSWSA-N 441.536 1.567 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1513978879 IXFWLUNJYYFKLV-XMSQKQJNSA-N 440.504 1.249 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC2CCOCC2)CCOC1 1516181235 GYSSHEGYSGBPDC-RTWAWAEBSA-N 437.516 1.958 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1517630498 WUXADHGIEKFLTH-UHFFFAOYSA-N 440.533 1.268 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1518959699 DRFAJAWYLOAYLO-YLJYHZDGSA-N 433.534 1.228 30 10 IDEE CC(C)(C)CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(N)=O 1538768101 JCARZPPOYQKUNX-GOSISDBHSA-N 434.562 1.755 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539318566 TXGRCFMWABHFGN-ROUUACIJSA-N 447.547 1.193 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1539512944 HFIQYVRDGZPGRO-IRXDYDNUSA-N 432.594 1.728 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539517192 JRRVHQXWLFAXBR-YJBOKZPZSA-N 427.530 1.824 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540021037 ZQQDCUBXWPKRGF-KSZLIROESA-N 446.552 1.735 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCOC1)C1CC1 1540098742 HQSJACVMNNKXCZ-NRFANRHFSA-N 447.561 1.502 30 10 IDEE C=CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1540109142 WKULJKXHJXZLFW-SFHVURJKSA-N 438.532 1.590 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1N1CCOCC1 1540876543 VBDXTUMOEFHGJQ-HXUWFJFHSA-N 440.548 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccnn2)CC1 1540899304 JOBOCLFXGCPHLI-UHFFFAOYSA-N 443.533 1.564 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1540916555 YKSRJACWFKZADR-SFHVURJKSA-N 434.610 1.697 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540917423 WEOVJZYYPPRUBY-IRXDYDNUSA-N 443.639 1.809 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)(F)F)CCOC1 1541733497 QVLODAONXONBIW-RHSMWYFYSA-N 433.431 1.974 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c1 1544291353 QRCAJZWLOKAHEJ-UHFFFAOYSA-N 430.482 1.286 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1548330203 IQTQORARXZFTNI-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1555954198 LYCXJIVWRKIJRH-QIMMGWNBSA-N 447.499 1.957 30 10 IDEE Cc1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 1557443319 BKTBYISTFVYNRM-UHFFFAOYSA-N 434.562 1.418 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCOC[C@H]3CC3CCOCC3)C2=O)cc1 1564690287 PLRMCIXESIGVJH-NHCUHLMSSA-N 426.517 1.886 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 1565166979 GMNBQWUQSRDWDP-LJQANCHMSA-N 431.562 1.737 30 10 IDEE COCCOCCN(CCO)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1584584241 BUPBXUOBTGSYQB-BQIYRTECSA-N 425.526 1.257 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1588054651 PHOFXRIBPSHSTL-MOPGFXCFSA-N 441.557 1.407 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588144224 XHFMIMXKBXCQCT-GOSISDBHSA-N 445.976 1.877 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588646789 NHRMTSMKPRANML-CVEARBPZSA-N 431.459 1.131 30 10 IDEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1593915337 ZYKNOWNQUDKHMU-OAHLLOKOSA-N 430.896 1.065 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1594783427 BSPBRYQNXLXLKM-DLBZAZTESA-N 439.520 1.575 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCOCC1 1594942976 IXVYTKKHUIOGLU-UHFFFAOYSA-N 434.566 1.792 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1595428229 KLBCIPZRCYQDOV-MRXNPFEDSA-N 428.541 1.976 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1)C(=O)OC(C)(C)C 1597267342 ZAPJZUMGPFFUOB-UHFFFAOYSA-N 445.516 1.859 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1630761743 BPNJWAWVLBFWSK-UHFFFAOYSA-N 447.538 1.313 30 10 IDEE O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@H](O)C(F)(F)C(F)(F)F 1636669796 GONQJCKBKPVRQO-VIFPVBQESA-N 444.300 1.658 30 10 IDEE C[C@H](CC(=O)N1CCN(c2ccnc(F)c2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1636905277 MKJDWDPTPAONPP-CQSZACIVSA-N 431.493 1.387 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)cc1 1637432026 CUGIDCTUUYQYRL-QHCPKHFHSA-N 434.544 1.681 30 10 IDEE Cn1c(=O)[nH]c(NCc2ccccc2CN2CCN(c3ccccc3)CC2)c(C#N)c1=O 1639268194 BUIOBJBXQKGPSS-UHFFFAOYSA-N 430.512 1.880 30 10 IDEE CSc1nc(O)cc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1640168578 BBJUCXDFVJUFRD-UHFFFAOYSA-N 449.558 1.819 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1643808485 DIDONBWZFYCJHV-KRWDZBQOSA-N 429.473 1.971 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cc(C#N)ccc2Br)c1=O 1652998312 NXOBDSWKOSPQCR-UHFFFAOYSA-N 445.273 1.906 30 10 IDEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1659364850 VGWOWGOUYAFRDI-MSOLQXFVSA-N 428.499 1.419 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(OC)cccc1OC(F)(F)F 1661513798 YNRQYOCXJXMKQX-LLVKDONJSA-N 427.422 1.405 30 10 IDEE C#CCOCCNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1662431516 STMXJKBBXSBAGP-UHFFFAOYSA-N 437.255 1.314 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1666053071 CNQCOAUZUDOUBH-VQTJNVASSA-N 435.546 1.041 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)C1 1672134621 KEVFDTXXSVZQIL-CYBMUJFWSA-N 426.336 1.998 30 10 IDEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)CC1 1673308394 DRFSSRZMRNVESL-UHFFFAOYSA-N 434.562 1.489 30 10 IDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CCC2(CC1)CC(=O)C=CO2 1680940744 WJHVXQVUCASBHG-UHFFFAOYSA-N 441.937 1.974 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ncc(Br)cn2)C1 1681227964 ULVDGXCLSXHCJN-JQWIXIFHSA-N 425.287 1.797 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1690015391 KTONBJXAONXEPW-UHFFFAOYSA-N 431.500 1.829 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC=C 1690095057 CSHGOZMCMODQOI-UHFFFAOYSA-N 435.326 1.434 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690167066 AITORDWZUGMYRQ-OAQYLSRUSA-N 439.545 1.521 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690174646 HJJYTAMETCYDFJ-KRWDZBQOSA-N 443.577 1.664 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1690235127 XMWZKCBZQIWWQN-DCGLDWPTSA-N 443.298 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690243021 GKBKPLWLXSCDJR-HPFXQQBRSA-N 434.566 1.974 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1690358826 LOCUWEATRZVPBR-QZTJIDSGSA-N 430.958 1.698 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1690432699 JLIOZEORCPVOJX-GOSISDBHSA-N 439.626 1.941 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1690675750 DLKPDMPNYLVCBD-OAQYLSRUSA-N 447.923 1.808 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCn1cncn1 1696331475 HHIQJDMZCJKLOH-UHFFFAOYSA-N 441.927 1.958 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1705477828 SIOPFLATYDVMJN-STQMWFEESA-N 427.477 1.996 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1705588332 CIYDGRIILSXSJX-GOSISDBHSA-N 434.610 1.473 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1705603306 SHAPRIQHZAMFSX-INIZCTEOSA-N 447.490 1.741 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSCC(F)(F)F)CC1 1705634678 FUFHXGGXXRWFDV-SFHVURJKSA-N 447.527 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1705650332 PKNHQYZNSMMFLF-IBGZPJMESA-N 429.613 1.080 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCOCC2)CC1 1705769070 ICTDAWHSQWIZPB-SFHVURJKSA-N 439.582 1.584 30 10 IDEE C=CCCOCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OCC)CCOC1 1705832837 KPHVFJVOAFJNPX-QFIPXVFZSA-N 444.536 1.179 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2Cl)CC1 1705901648 RUXWSZNIJZWREB-MRXNPFEDSA-N 443.939 1.511 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](COCc2ccccc2)C1 1705901821 XNKNBQDERQVZQE-OALUTQOASA-N 438.532 1.575 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705908270 MJBLYPZUPOKXNW-CVEARBPZSA-N 442.495 1.261 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccco2)C1 1705929245 MHOPWNXSQZGJOI-INIZCTEOSA-N 428.493 1.205 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1706034224 ATICYWHRELTVQV-AUSIDOKSSA-N 437.548 1.236 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CCO1 1711362711 DUMZYYMUYNCGRM-QGZVFWFLSA-N 439.520 1.073 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](CC(N)=O)C2)n1Cc1ccc(C#N)o1 1712643712 NTGCNBDAEMIWTQ-VCBZYWHSSA-N 428.493 1.607 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1722315963 XFJRDXHDPSUSHH-IRXDYDNUSA-N 446.552 1.763 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1722369362 YFSGFCXUOUWLMD-SJLPKXTDSA-N 432.550 1.237 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(Br)cn1 1722371328 VRXANOPTNCFPIT-UHFFFAOYSA-N 444.337 1.636 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1722382045 DKQGIPFBQACAIW-MBSDFSHPSA-N 435.532 1.065 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCC1 1722425294 UEACFUNGTPYLQK-UHFFFAOYSA-N 446.577 1.629 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722460219 WGUJJEHLYANEQE-GOSISDBHSA-N 434.610 1.139 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722523523 XTTPSKZLKMRXJD-OAHLLOKOSA-N 445.611 1.055 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722617811 MOYSTSJMQPSYLL-SQNIBIBYSA-N 439.582 1.583 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722631247 IEQONISHQULENS-JKSUJKDBSA-N 449.581 1.179 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)OC1CCCC1 1722692991 AMFFHDJWURHBSW-UHFFFAOYSA-N 433.534 1.961 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1722739527 WIUYBVQNABDUOP-UYSNPLJNSA-N 447.602 1.715 30 10 IDEE CC(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723090639 KOXHYPARAFPKBY-OAHLLOKOSA-N 439.520 1.479 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H](C(=O)OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1728805659 YINCNQNBPFEGBR-QVKFZJNVSA-N 429.477 1.833 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CCCC1 1730992409 DCVYRLPSDWVUID-UHFFFAOYSA-N 447.586 1.743 30 10 IDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1731002197 CXQBAWCYEHODKW-QGZVFWFLSA-N 442.545 1.343 30 10 IDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1740629353 KQIIMPAMWNQOLO-IXDOHACOSA-N 449.577 1.862 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740954566 OUARJIGWUJGLES-HNNXBMFYSA-N 429.502 1.617 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1741123549 FORDBRNUQJVAKC-SQNIBIBYSA-N 431.585 1.998 30 10 IDEE Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742829269 UFCJJLHGKKDWOD-FMQUCBEESA-N 441.536 1.342 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1747427141 DWMQYJURUGASSD-INIZCTEOSA-N 433.538 1.049 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1748747440 HWTCDZZJMCVWOO-GOSISDBHSA-N 438.536 1.023 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748824241 LZTQKFOSZVHHQW-MRXNPFEDSA-N 434.493 1.148 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1748842572 MVJXEJOCLAVNIM-FQEVSTJZSA-N 429.528 1.605 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCN(C(C)C)CC1 1748969425 UYNTXNYAOYOEDI-UHFFFAOYSA-N 443.596 1.461 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)nc2OC)CC1 1748991100 QIFVIGPSTKEHOB-SFHVURJKSA-N 426.521 1.735 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1749462101 NIFMHCIMMAOBAG-OAHLLOKOSA-N 435.479 1.904 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1749630596 SCIHMOUSRRGGTH-QGZVFWFLSA-N 433.582 1.164 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749668626 BCRFOLQFXFOYMN-LSDHHAIUSA-N 430.475 1.547 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749671868 LVCLNVNKEQNDAL-SFHVURJKSA-N 431.562 1.493 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1749681188 XZKKSGKRFYEEJL-UHFFFAOYSA-N 432.500 1.649 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1750075526 FNOLUWCXOVDTEM-KGLIPLIRSA-N 436.504 1.660 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C1CC1 1750475016 USIYBLXRYUELTG-UHFFFAOYSA-N 436.564 1.986 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)F)CCOC1 1751017195 DJSVXPPMEMVANR-HXUWFJFHSA-N 440.495 1.830 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)cs1 1751763483 NBHZVQZCIDALOI-CZUORRHYSA-N 437.595 1.654 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760095784 YSJBOOMDIZXSKP-JKSUJKDBSA-N 425.541 1.375 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760189658 KNHMILSMSHXAPK-QGZVFWFLSA-N 432.521 1.550 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760281599 UVOWWVQCGKFQFN-INIZCTEOSA-N 426.550 1.021 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1760288439 CICUVDAKNUFVMV-YCRPNKLZSA-N 441.561 1.999 30 10 IDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760357411 CVGGMRLAGSCRCF-FQEVSTJZSA-N 431.512 1.942 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1760440046 AUZPAQRBFWNNAK-INIZCTEOSA-N 436.607 1.925 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1760495041 CYQVNZMZQLLXFE-QGZVFWFLSA-N 439.545 1.988 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cncn2)nc1 1760495552 RARONZGQQMNWRY-KRWDZBQOSA-N 440.533 1.383 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1760519538 HOPXVNMVIBEXHJ-OAHLLOKOSA-N 442.520 1.322 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1760559617 RDDGOWYHKXOATN-OAHLLOKOSA-N 429.550 1.936 30 10 IDEE CC(C)OCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1761315483 SSAQDQWJJYKTQZ-MSOLQXFVSA-N 440.552 1.974 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1761361616 LPHFBUKGXCQTDC-CQSZACIVSA-N 438.504 1.921 30 10 IDEE COC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1767905445 OPHQYZFZLISPNR-ZZEZOPTASA-N 442.520 1.852 30 10 IDEE COc1cccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1768773478 BHOPJISFLNLSBT-BSBNDGSWSA-N 438.488 1.705 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)OC 1769237728 HJXAMHQCNJZKST-QZTJIDSGSA-N 425.493 1.034 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1769477740 OGZMUMCXTLTDDD-UHFFFAOYSA-N 449.471 1.615 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC[C@@H]1C 1770658695 RCQQXAARULPINZ-XTQVGHSUSA-N 440.548 1.657 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)NCC(F)F)CCO1 1771536886 DKVXFYHIUYNNQA-AWEZNQCLSA-N 443.414 1.710 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CC(S(=O)(=O)C4CCCCC4)C3)CC2=O)cc1 1853961467 ULJBNGAERMDOCA-QGZVFWFLSA-N 429.542 1.979 30 10 IDEE C[C@@H]1CCN([C@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855419555 FGNYZQAYVHGHHB-XLIONFOSSA-N 431.558 1.908 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCCO2)C(=O)C12CCCC2 1856265457 VMNSIKAYNBLYQC-QGZVFWFLSA-N 431.514 1.800 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858327436 QAPRHUYMDPVVSM-QGZVFWFLSA-N 448.526 1.258 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C1 2054377681 CEKWOCSLLQUVQC-VXGBXAGGSA-N 438.344 1.035 30 10 IDEE COC1(CCNS(=O)(=O)N2CCC(C#N)CC2)CN(C(=O)OCc2ccccc2)C1 2174780204 RKYSGMIKQCLHCJ-UHFFFAOYSA-N 436.534 1.484 30 10 IDEE CC(C)(C)OC(=O)NCCCCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243676698 MGOUBEZHLSDEHJ-UHFFFAOYSA-N 426.348 1.893 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2255629510 WWCRHVFWGRHSRI-UHFFFAOYSA-N 426.326 1.416 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632322 LMIUMHYOAXSQJK-KGLIPLIRSA-N 436.318 1.121 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)ns2)OC1(C)C 2255633906 JLCMLNWGBPDVDW-KRWDZBQOSA-N 442.394 1.646 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2255697648 JSGKOPKSJWZOKJ-GOSISDBHSA-N 427.232 1.664 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256070374 XLWWCRJIMCNTCM-CQSZACIVSA-N 432.330 1.905 30 10 IDEE Cc1nc(NC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256679728 YXIRZLZKCZOSII-CYBMUJFWSA-N 436.318 1.156 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)OC1(C)C 2267101074 WKWHEVQDOATMJJ-UHFFFAOYSA-N 440.353 1.466 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267505609 LBBGVCJWMQMNCD-NWDGAFQWSA-N 442.247 1.015 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269085496 GPAKAMBMSZAJFN-KRWDZBQOSA-N 442.325 1.034 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCC3(C2)OCCO3)OC1(C)C 2282511033 ILPGPEMHHBMSQN-CYBMUJFWSA-N 444.384 1.547 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@@](C#N)(C2CC2)C1)NC(=O)OCc1ccccc1 2286041083 MVRXRBCGXOVXHF-XLIONFOSSA-N 435.502 1.410 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](Oc3ccccc3)C[C@@H]2C(=O)N2CCOCC2)cc1 2297645814 WAMSSCGLCPAKMT-TZIWHRDSSA-N 441.509 1.628 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303150350 FRAOGZQYSUVYRA-KBPBESRZSA-N 446.375 1.619 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319677998 UATFVINTZGATAL-LHSJRXKWSA-N 437.346 1.807 30 10 IDEE CCOc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 409527579 HKASFEOQGDRRPA-UHFFFAOYSA-N 435.527 1.652 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)OC 435945090 UMPZGQHRNVLGAI-QGZVFWFLSA-N 439.534 1.011 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@@H]1CCCO1 447004612 CRSKVXRLICBSMI-INIZCTEOSA-N 435.505 1.640 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466103878 DKGWLMZFVUXYLF-UHFFFAOYSA-N 443.529 1.377 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(O[C@H]3CCOC3)cc2)CC1 468245730 QSQJYFDCOSLOTA-FQEVSTJZSA-N 441.509 1.873 30 10 IDEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)C1 478142998 GXOGHZGHVZODDB-IRXDYDNUSA-N 436.553 1.649 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)nc1 478757573 YLWYUVHGFZEXBT-WMZOPIPTSA-N 439.537 1.291 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)cc1 482073278 XNAAIIIFGIOMEX-HNNXBMFYSA-N 426.498 1.679 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 485116233 JVYXNZACVFNOAS-RTBURBONSA-N 439.516 1.584 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 505921880 CEPQUDBOJCLKRI-UHFFFAOYSA-N 427.954 1.340 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1 513586438 NZOOIURKEGHXOX-UHFFFAOYSA-N 448.364 1.556 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1c[nH]cc(Br)c1=O 535562613 KJERIHMFSOCQHA-VIFPVBQESA-N 425.264 1.315 30 10 IDEE COC(=O)c1cncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 538481214 KLUCQOGFUDUUAA-UHFFFAOYSA-N 429.458 1.278 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC3(CC3)c3ccccc32)CC1 547836823 BANXJNTXPGVEAI-UHFFFAOYSA-N 436.537 1.943 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 553315299 YHCLGBUVHISAAT-MRXNPFEDSA-N 447.507 1.642 30 10 IDEE COc1cc(CNC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1C#N 569059589 PXWVACCSXUKQJC-UHFFFAOYSA-N 447.517 1.778 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CN(CC)CC)C1 581837026 BSPNPNCMOYGABZ-ZWKOTPCHSA-N 440.614 1.355 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@H]1CCCO1 618638093 RYRLLWJEJAMAJK-LJQANCHMSA-N 446.532 1.419 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCO)c1 703981041 NOPHXKJERRSSCE-MRXNPFEDSA-N 426.494 1.697 30 10 IDEE N#Cc1ccc(NC(=S)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl 726458560 MWVBXKMWZIWFAA-UHFFFAOYSA-N 429.955 1.103 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 731212723 JKVRYDVMHHLZFE-QFIPXVFZSA-N 431.602 1.577 30 10 IDEE O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCN/C(O)=C1\N=CC=CC1=O 732152987 DAUIIVVDZZKCLH-HTXNQAPBSA-N 425.470 1.581 30 10 IDEE COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 740188498 GHBUFEVFQCSZRT-LJQANCHMSA-N 444.465 1.650 30 10 IDEE COc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1C#N 747260092 PAIKHMYOVVNELR-UHFFFAOYSA-N 443.529 1.825 30 10 IDEE CCOc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)cc1 751670598 DOYCDCLAEFFRFU-FUHWJXTLSA-N 434.562 1.874 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccn(C)n2)c1 760453141 BQUVFPZHUYTBBO-LJQANCHMSA-N 442.589 1.971 30 10 IDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc(S(C)(=O)=O)cs2)cc1OC 767433118 PZROHNXDUNVXGW-AWEZNQCLSA-N 436.511 1.850 30 10 IDEE C#CCN(C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 774188193 QJLDRSUWEPUMHO-HNNXBMFYSA-N 442.335 1.011 30 10 IDEE C[C@@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCC1 787656226 VZFTWHFSWZAVFP-ZIAGYGMSSA-N 425.532 1.785 30 10 IDEE CCn1ncnc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 794424574 NLHAQOIVCMOLOY-KRWDZBQOSA-N 443.577 1.806 30 10 IDEE Cc1ccccc1Cc1nc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 795323089 CPXZGJCPIONENW-UHFFFAOYSA-N 426.454 1.862 30 10 IDEE CC(C)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 796493873 YSYKYCMOWPZCCJ-SJORKVTESA-N 442.582 1.103 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cc(F)c(C#N)c(F)c3)C2=O)cc1 816505074 LYRJELQNVONLKF-OAQYLSRUSA-N 428.395 1.928 30 10 IDEE C[C@H]1CN(C(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)C[C@@H](C)O1 918022344 ABPQTJHMENNVOW-AOOOYVTPSA-N 433.408 1.949 30 10 IDEE COCCN1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 920743521 CNQLAQZRUIVZKZ-SFHVURJKSA-N 436.578 1.321 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C)c(C#N)cn3)CC2)cc1 1130659486 GTJVULKMFCSTMX-UHFFFAOYSA-N 443.529 1.152 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1135982476 ISGKSQLHWXSORN-MSOLQXFVSA-N 430.505 1.852 30 10 IDEE C#C[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCCO1 1138445689 DNPOHHBAGZDYTG-WCJKSRRJSA-N 438.521 1.631 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NOc2cccc(C#N)c2)c1OC 1171244996 BRXIZTYXMUTTAI-UHFFFAOYSA-N 447.469 1.320 30 10 IDEE CN(C)CCN1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1=O 1195757996 PFWWYNCOQHNSNF-UHFFFAOYSA-N 448.571 1.872 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)CC1 1222048123 WOTMVCVWPAJIIM-PBHICJAKSA-N 428.942 1.211 30 10 IDEE C#CC1(F)CN(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1227727937 NYKPRHFSTKGYST-UHFFFAOYSA-N 439.509 1.471 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1228007039 ADIIBSDYZWRQAW-SFHVURJKSA-N 445.516 1.791 30 10 IDEE C[C@@]1(C2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1248375427 LUYYSTWTRKCGLA-GCJKJVERSA-N 425.489 1.579 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC)C(=O)C1 1286346980 GOIVIINVKYPAAW-UHFFFAOYSA-N 443.577 1.710 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1286450143 DDLGGMIPQNMCMA-HNNXBMFYSA-N 433.534 1.557 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1286451734 OJYLQJJHOHLAKH-CABCVRRESA-N 447.561 1.728 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(OC)cc2F)CC1 1286471025 GEZHGPBEBJURPX-KRWDZBQOSA-N 431.512 1.953 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2(O)CCCC2)n1 1286471303 KVYYGZLBCHADNJ-LJQANCHMSA-N 442.564 1.960 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1286480516 YMEITARJBOGSDY-UHFFFAOYSA-N 442.589 1.669 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286574142 VBUCXWKPZHTMEN-QHCPKHFHSA-N 437.548 1.661 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286711603 NJSUSOPIZYKFGK-BBWFWOEESA-N 428.555 1.013 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286714154 LYVGTWTWZBAYST-UHFFFAOYSA-N 445.568 1.331 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](NC(=O)CC)C1 1286784294 COLGYNNCANHYCC-INIZCTEOSA-N 440.504 1.471 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1286801896 JTHRQMNBHQCTQV-LJQANCHMSA-N 436.516 1.880 30 10 IDEE CC1(C)CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1289010458 MGSXSQPJBFQGNP-QGZVFWFLSA-N 448.549 1.750 30 10 IDEE C#Cc1ccc(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)cc1 1295677462 SYZPYTUBCLRVQQ-UHFFFAOYSA-N 436.511 1.202 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)CC1 1297320893 BJNDGAYFSYMWIM-GBESFXJTSA-N 426.908 1.479 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1298013532 PLXVIMHKUCBPDR-FQEVSTJZSA-N 435.532 1.372 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c(OC)c1 1300208497 DTAWFPFJSNLYDC-HOCLYGCPSA-N 433.534 1.984 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300486790 BGJTUCUCVALLHB-ROUUACIJSA-N 430.578 1.632 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300501953 ONTCGZIWRAZEKW-YOEHRIQHSA-N 436.607 1.211 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCC(=O)NC 1300885934 UCRYOXWEQLPHFB-RYRKJORJSA-N 439.582 1.124 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301237731 WVBOKVPBBYZNFT-INIZCTEOSA-N 431.497 1.376 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCn2cc(C)nc21 1301806586 LINASVRTEUCLQH-SJORKVTESA-N 426.525 1.678 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1301851953 APOWWEMABVKVLS-WMZHIEFXSA-N 438.532 1.975 30 10 IDEE N#Cc1cn(C2CN(C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)C2)c(=O)nc1O 1305589797 MDILMZQRJDOUPK-UHFFFAOYSA-N 447.904 1.471 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2ncccc2C#N)CC1 1313344655 SJQYWYRUTDVHJH-IAGOWNOFSA-N 430.509 1.419 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)C)CC1 1314554241 HIHLNILVYXNJPC-UHFFFAOYSA-N 445.593 1.723 30 10 IDEE COC(=O)c1cnc(N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)s1 1322522914 ORNASIZBGPVAMA-ZDUSSCGKSA-N 427.442 1.669 30 10 IDEE CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c(C#N)cn1CCOC 1355035404 CSGJHBWBYCRINM-FVQBIDKESA-N 432.477 1.988 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1358994313 JTJLPSRRXXTUDA-SFHVURJKSA-N 442.541 1.709 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 1359038702 GWPMAAPYEYPKPT-OAQYLSRUSA-N 431.537 1.619 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ncccc2F)CC1 1359297941 HKKTYKGGFOIRIZ-UHFFFAOYSA-N 440.483 1.563 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C)C(=O)C1 1359329259 CXMZSPNXXCVOLO-UHFFFAOYSA-N 441.916 1.617 30 10 IDEE C=CCOc1ccccc1CNC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1435177136 VDPHPEAFZTWYEB-UHFFFAOYSA-N 437.539 2.000 30 10 IDEE CN(C)c1ncc(Br)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1435456158 QZHXHXUWHAKXRD-NSHDSACASA-N 439.314 1.890 30 10 IDEE Cn1nc2c(cc1=O)CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2 1444975726 CEIIPWIQKYSDEP-BXFSZVDSSA-N 427.505 1.452 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1448197859 SCXYSKXPQGCWDX-WMZOPIPTSA-N 436.383 1.742 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 1459886486 MLZRRQRMAXYOQN-OAHLLOKOSA-N 449.602 1.158 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1493429724 LVNWHXQMJWWTKK-XOVGQFALSA-N 441.536 1.552 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1494699737 VTSYCNSGJWGZSK-RAJOGRCSSA-N 443.552 1.597 30 10 IDEE CN(CCC(F)(F)F)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1503569628 WNXOMBSZXIJQQI-PEZBUJJGSA-N 438.414 1.594 30 10 IDEE COC1CCN(C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1504491566 HKLADADLHMALDJ-HXUWFJFHSA-N 439.564 1.882 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CCO1 1504722399 PNUFPMHZWOYTIM-IBGZPJMESA-N 426.521 1.831 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)C1 1505314503 FHLCHQRBDHESHS-FXAWDEMLSA-N 448.524 1.940 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1507579694 DWDJNONRTXJAAC-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCCCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507599441 PPJWUDRQDJDVLS-MIZPHKNDSA-N 431.581 1.891 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1507669771 RFFPKEXFKHDFKT-INIZCTEOSA-N 432.575 1.436 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1507746317 OXRJWDNPCFFWDK-AWEZNQCLSA-N 435.575 1.523 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)OC)CC1 1507791627 OMJXZUZYDJNDGA-ROUUACIJSA-N 431.537 1.885 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507831585 ALXYUGUQVXDHLV-OALUTQOASA-N 436.626 1.361 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1508143023 ISQYPZZSOVEKNQ-QGZVFWFLSA-N 447.561 1.433 30 10 IDEE Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1511892816 XSGGSEWPGATCCY-MRCUWXFGSA-N 439.495 1.574 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513068509 URBFFSGDWONPQT-JMOCTVHBSA-N 443.508 1.349 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(OC)nc1 1516591762 GZZLLXKGGJMCTK-UHFFFAOYSA-N 434.504 1.860 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCOC1 1517067235 NPWHRQZPOZUOMZ-QGZVFWFLSA-N 433.472 1.496 30 10 IDEE COc1ccc(OC)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1518311867 BCCLYRJQHMEUIF-GJZGRUSLSA-N 433.534 1.984 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1521095963 UBDBJVBSJYTTSL-NHCUHLMSSA-N 435.532 1.782 30 10 IDEE CS(=O)(=O)c1cccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1521511282 OECFTZOMUMSCDM-GOSISDBHSA-N 440.481 1.483 30 10 IDEE C#CCC1(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CCOCC1 1538244463 XXOHGMPUQIPQPL-LJQANCHMSA-N 448.317 1.905 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1539430689 LCPJMQRELKNJFE-UHFFFAOYSA-N 430.578 1.309 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 1539446355 BTGGTWPPQWDCKW-MRXNPFEDSA-N 434.953 1.032 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2nccnc2C)CC1 1539484343 LYPZWLRXWRUQFL-UHFFFAOYSA-N 444.543 1.571 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N2CCN(CC)CC2)C1 1540889845 VAHRIMXVHVPJBZ-OALUTQOASA-N 426.569 1.542 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1541806211 GWRXOWBUQCTAEG-INIZCTEOSA-N 439.520 1.665 30 10 IDEE CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1548169584 YWNWJLFHSODEKP-VHEBQXMUSA-N 431.541 1.262 30 10 IDEE C#CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H]1CCS(=O)(=O)C1 1564764213 BBVUWQOXDFAWEY-UONOGXRCSA-N 435.493 1.463 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2=O)C1 1565246621 FXZKRUWLZWZGFD-ROUUACIJSA-N 439.516 1.545 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(F)c(C#N)c2)C1 1584182232 FUASEDRLRHZMLB-OAHLLOKOSA-N 425.482 1.851 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1587621818 ZXDLKFMIKVTNRZ-MRXNPFEDSA-N 447.543 1.956 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1587638624 GCTRYQUXTORGEJ-ILXRZTDVSA-N 425.555 1.551 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1587984711 JMXKWHBOFZBGEL-QGZVFWFLSA-N 446.552 1.321 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCn1ccnn1 1587988842 CQXVBMKJYSKAHP-INIZCTEOSA-N 430.513 1.338 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCn1ccnc1C 1588109470 FBVNZJGVNYGYFI-UHFFFAOYSA-N 440.515 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1588947295 MQGKKQURANQJSL-NRFANRHFSA-N 444.624 1.943 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1589109520 DHPLHLQXPPZEOP-GOSISDBHSA-N 436.541 1.906 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1594824708 PDECQZZWOGEWDH-QFIPXVFZSA-N 432.569 1.294 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1594956526 NFQDWBMPUJXELL-HNNXBMFYSA-N 442.586 1.564 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1596402603 ZWFNYMUCUXMCSB-CYBMUJFWSA-N 428.445 1.651 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)s1 1597024358 HBGSSRTXQFEHRC-GFCCVEGCSA-N 425.498 1.755 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1597976378 HZYFEQRDKOVQPY-GOSISDBHSA-N 444.561 1.602 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2ccc(CS(N)(=O)=O)cc2)c(=O)c1C#N 1611230654 FHEGKGODHUIJEV-UHFFFAOYSA-N 439.291 1.272 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1617242491 YXDPMDIEGDATQX-NZQKXSOJSA-N 440.548 1.515 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1617397804 BGNZWAKNCMLUAR-FQEVSTJZSA-N 445.524 1.731 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CCOCCCO)cc1 1620350188 FCBJMXSXEPCKRP-UHFFFAOYSA-N 438.532 1.664 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](C(=O)OC)C[C@H]3C(=O)OC)n[nH]2)c1C 1623714563 KGEIFAOSQQFHEF-PBHICJAKSA-N 429.477 1.643 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCCCn1nc2n(c1=O)CCCC2 1624931152 LXROREOHFXNRPU-UHFFFAOYSA-N 434.294 1.601 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C1CCN(C)CC1 1626636805 CUOWWLTZWOOXEV-UHFFFAOYSA-N 438.981 1.692 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](C)N(CC(F)(F)F)[C@H](C)C1 1636845006 YMGXBBGKYHAKPY-MJBXVCDLSA-N 432.468 1.709 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 1645159085 QZDAADACUWJBGT-FQEVSTJZSA-N 429.542 1.648 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1645679766 JIKGURRHLHHIRJ-YWZLYKJASA-N 431.961 1.754 30 10 IDEE O=C1C=COC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)C1 1648470328 ULGXFKAZTRJIIS-UHFFFAOYSA-N 433.530 1.747 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ncc(Br)cn2)c1 1651783175 DOOSKCCUMURABB-UHFFFAOYSA-N 425.308 1.976 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCN(CC)CC2)C1 1652628990 RSRWTYJJDCQFSC-LJQANCHMSA-N 447.605 1.132 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)CC1 1667548783 ZLOGFRKKPATNPO-UHFFFAOYSA-N 436.534 1.188 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1676793254 CBUULKDYJAVIPZ-SJORKVTESA-N 427.567 1.856 30 10 IDEE Cc1cc(Br)cn2cc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)nc12 1679950560 GEGSMBPROPCBPF-UHFFFAOYSA-N 446.265 1.039 30 10 IDEE CCNc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 1684236088 CGMCFDXWDJCITO-UHFFFAOYSA-N 428.518 1.601 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1690104408 VXFFXAQQWTVXGT-LJQANCHMSA-N 445.589 1.689 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CC2)CC1 1690136400 DGJVOFKZTSLWFB-HNNXBMFYSA-N 436.582 1.044 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690183028 KLJZIFVWTCAPDT-SFHVURJKSA-N 443.577 1.177 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1690209277 QQYUAIJYDIISPB-JRWGXLCNSA-N 431.500 1.782 30 10 IDEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)N(C)C)CC1 1690379244 MXTWLZAXRCYCSK-UHFFFAOYSA-N 429.550 1.564 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690621838 BBCNOJKHBCNNNJ-GJZGRUSLSA-N 446.474 1.131 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)CC(N)=O 1690720333 FZXCUGFQOYLACT-OAHLLOKOSA-N 442.545 1.794 30 10 IDEE Cc1noc(C)c1CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693530763 BDMZVSQNHSIYCN-FMQUCBEESA-N 425.493 1.998 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1695435211 GVJLGRFDBSQGLA-IBGZPJMESA-N 435.532 1.934 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1698250540 HOQWPYNILAQBAC-YYVVQBKYSA-N 444.536 1.909 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1698298659 STEOYUAAIFZJAU-QZTJIDSGSA-N 431.518 1.246 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705549944 NWNCOMHGEMEOKX-HKUYNNGSSA-N 428.562 1.922 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1705582619 FNEPFZMPLRLNAS-HXUWFJFHSA-N 437.569 1.706 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCOC)CC1 1705903882 XOOLDAMORQYOTF-UHFFFAOYSA-N 430.509 1.128 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CCOC)CC2)nnc1C1(c2ccccc2)CCC1 1705908865 ISALYKIQGWUWGZ-UHFFFAOYSA-N 438.576 1.819 30 10 IDEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705942599 XUSLYSOCXONHBM-GOSISDBHSA-N 447.561 1.833 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CC1 1710297848 RMXXDHSNGRQOTA-FQEVSTJZSA-N 442.612 1.777 30 10 IDEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1710829896 MEVSTXBPJALITL-KRWDZBQOSA-N 427.484 1.603 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722360570 AUDRJJCAYYVDRL-PMACEKPBSA-N 427.574 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1722397514 RCZIPWDOTPDDOC-LJQANCHMSA-N 449.540 1.477 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](COC)OC)CC1 1722445462 QXCTZPPKZBPJTD-KRWDZBQOSA-N 429.496 1.711 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NC(C)C)CC1 1722449665 XGQXRQITNIGEDR-UHFFFAOYSA-N 443.577 1.124 30 10 IDEE C#CCSCCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@]1(OCC)CCOC1 1722463717 LDSBZJGMJWOAEE-NRFANRHFSA-N 429.546 1.960 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N2CCOCC2)cs1 1725353370 SPXAEAVQCXMTQM-FQEVSTJZSA-N 429.550 1.623 30 10 IDEE CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)NC)c2ccccc2c1=O 1728162876 AGVNALGMTSWSRW-OAHLLOKOSA-N 436.520 1.939 30 10 IDEE N#Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)CC2)o1 1731184757 STHADEQYHYLGOY-UHFFFAOYSA-N 425.474 1.109 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740622716 HPHWYHYYXPRTJU-QGZVFWFLSA-N 435.594 1.725 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1740639491 CILMFRDKNAOFCV-LBPRGKRZSA-N 440.422 1.858 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1740655515 HMPGGWPBGBDAFQ-QFIPXVFZSA-N 426.609 1.909 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740684535 UISYRIPUFFNFJQ-CABCVRRESA-N 428.459 1.199 30 10 IDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCS(C)(=O)=O)CC1 1740821455 JUTMUWHNYKFZOB-UHFFFAOYSA-N 434.518 1.891 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)NC)C1 1740977684 JIWCJWXVODWXIJ-INIZCTEOSA-N 449.533 1.047 30 10 IDEE Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1742350265 UAEZPZLXSWWELO-RDJZCZTQSA-N 425.493 1.892 30 10 IDEE CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCCCO)CCN2C1=O 1748053071 NVPOMFIRBBVDRT-SFHVURJKSA-N 439.520 1.447 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1748697784 NJVOPMHIQQGVLA-INIZCTEOSA-N 436.476 1.998 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748817130 FTYANXCPHJCIIQ-GOSISDBHSA-N 437.610 1.216 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1748818065 VAPALWQTVMYLLK-MRXNPFEDSA-N 449.602 1.595 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748846409 GILPUCJPEBVSAP-HXUWFJFHSA-N 435.528 1.760 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1748858537 PLTSFQKHINQRGK-SFHVURJKSA-N 431.537 1.822 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748859644 XKVJTZWYTXBGIT-SJORKVTESA-N 425.455 1.856 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1748892656 UOEXDNDAXKLATR-INIZCTEOSA-N 435.550 1.168 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1749061222 PPMNWKGVOPTTPU-XMMPIXPASA-N 443.511 1.596 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1749489388 VEVDJCBWLWDPEK-OAHLLOKOSA-N 425.555 1.669 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(CCC)CC1 1749678052 UMWQDFDWFBGJJT-UHFFFAOYSA-N 428.585 1.753 30 10 IDEE C#CCN(c1nnc(C)n1CC1(N2CCC(OC)CC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760181471 VWSKPYMKGUWSPD-LJQANCHMSA-N 449.621 1.637 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCS1(=O)=O 1760195894 AXHRJWDSAVMDTB-UHFFFAOYSA-N 443.529 1.071 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1760295054 MQRKGPLWTKXBBC-GHTZIAJQSA-N 445.545 1.674 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@@H](C)C1 1760324393 KAEVSXWRLJXTSE-JQVVWYNYSA-N 446.596 1.539 30 10 IDEE C=C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1760388673 WBZNFNYRTFYVAT-UHFFFAOYSA-N 425.518 1.848 30 10 IDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)C1 1760527183 OIFXDDJBHACDEX-HXUWFJFHSA-N 437.592 1.791 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1760528721 KRHUKAHSDMNBMM-UWJYYQICSA-N 429.525 1.307 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760677366 FTOIXFQDRZDNFL-UHFFFAOYSA-N 430.534 1.356 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1760677387 GSQZIODYZGHKII-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCOC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1762116715 KSLGIMPTMJPPMJ-NFFVOIMASA-N 436.516 1.929 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)nn1C 1765012552 BVQNWGMDEMENEO-IBGZPJMESA-N 434.504 1.534 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766368739 AQEPGVFPSRFXBQ-OAHLLOKOSA-N 449.519 1.702 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCCC2)CCO1 1769241664 CHCJCBOMWDYMQJ-LJQANCHMSA-N 437.548 1.642 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C[C@@H](C)O1 1769490802 FYFGVROBAXGHQI-NQUPLYSKSA-N 429.546 1.968 30 10 IDEE CSCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1771482476 NYXHJCXQXNHSEJ-KRWDZBQOSA-N 428.566 1.934 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1771534447 BGGMJYYIPRECNT-HNNXBMFYSA-N 445.430 1.562 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)N2CCCc3nc(C#N)cc(Br)c32)CC1 1848915049 AMXNBUUKAAPFFT-UHFFFAOYSA-N 427.324 1.667 30 10 IDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 1851774592 RGYKLWMIAPENBW-STQMWFEESA-N 425.942 1.825 30 10 IDEE CN(C)S(=O)(=O)CCNC(=O)C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O 1851813261 HCHNMBSIENJVNY-FQEVSTJZSA-N 440.525 1.653 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)nc1 1851946183 NDHNFTJWZSLFRB-GOSISDBHSA-N 437.475 1.811 30 10 IDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1c(C#N)cnn1-c1ncccc1C(F)(F)F)CC2 1852738887 OETOZRFWPHOTIY-NSHDSACASA-N 443.389 1.995 30 10 IDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)cc1 1852803512 YVZAOFGLOISTRE-OAHLLOKOSA-N 433.472 1.701 30 10 IDEE COCCC(=NOCC[C@H]1CCCCN1C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853425615 HULYUMWLKJNRGQ-MRXNPFEDSA-N 438.550 1.701 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)CCc3ccccc3)CC2=O)cc1 1854020605 IQPCYTXOYGGBSB-UHFFFAOYSA-N 425.510 1.734 30 10 IDEE C=CCC[C@H](C)C(=O)N1CCC[C@H](N2CCN(S(=O)(=O)N3CCCC3)CC2)C1=O 1854970053 KISLSTGACWYUDB-ROUUACIJSA-N 426.583 1.065 30 10 IDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCCN(C4CCC4)CC3)ccc21 1854974610 VNTVTUQXKWKSLY-UHFFFAOYSA-N 430.530 1.655 30 10 IDEE C[C@H](CC(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1cccn1 1856381495 XWHCOODDIAZSSA-SJORKVTESA-N 426.546 1.713 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1 1856398137 UNCCLGUGALLKRO-YJBOKZPZSA-N 436.509 1.342 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1=O 1856804601 BNCTWGPMIHPEEU-ROUUACIJSA-N 430.482 1.722 30 10 IDEE Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)[C@@H]1C 1856880547 HLIIPMATCJGBEF-ZDUSSCGKSA-N 432.889 1.977 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CCc3ccc(F)cc3F)C(=O)O2)CC1 1856886557 SMVXJVSPGVXUGD-QGZVFWFLSA-N 441.456 1.810 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(CCN=c3[nH]cc4c(c3C#N)CCCC4)cc2)CC1 1859511344 ZRPRWSXLJNOIKA-UHFFFAOYSA-N 439.585 1.845 30 10 IDEE C=CCNC1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863508150 CVXJERHSLPSELU-UHFFFAOYSA-N 429.473 1.571 30 10 IDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562499 GMZIIMONHOFDIV-UHFFFAOYSA-N 439.564 1.485 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 1890970965 SMAXGQDIAPQJGQ-JKSUJKDBSA-N 427.530 1.769 30 10 IDEE COc1ccc([N+](=O)[O-])cc1CC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1891074248 HBJPCWQRENQDER-UHFFFAOYSA-N 444.532 1.404 30 10 IDEE Cc1cc(CN(C)S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)sc1C#CCN 2202283324 HWFSLTOHJXJSBA-UHFFFAOYSA-N 445.566 1.815 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248400746 ARRUYIGUMCJLJM-ZDUSSCGKSA-N 425.266 1.344 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2255604962 OEQARPRTULGVNN-ZIAGYGMSSA-N 437.346 1.840 30 10 IDEE Cn1cc(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2255624438 YKRSBWGFXDONJA-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE Cn1nc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2255625289 PIQNRUDYZDJNHS-JGGQBBKZSA-N 432.330 1.457 30 10 IDEE CC1(C)OB(c2scnc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2255810796 FNKJDOMYKQCZPR-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE CON(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2255818284 JCRZRSMBSXCDJT-UHFFFAOYSA-N 436.318 1.342 30 10 IDEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255843079 BEFJAHWXZQGDJD-ZSEKCTLFSA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255844405 WIETULUONGZQSR-UHFFFAOYSA-N 436.293 1.465 30 10 IDEE Cc1nn(C)c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2256402157 MJFFFVSXQMXHHM-KHPPLWFESA-N 434.346 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267277088 KZRABQDKCMDYFJ-OAHLLOKOSA-N 449.357 1.927 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2CC3(C2)OCCO3)OC1(C)C 2267467491 OFRXDEZGPOOOCA-UHFFFAOYSA-N 429.369 1.620 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267539360 ZXDXSHRGSVCBMH-BMFZPTHFSA-N 444.341 1.761 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267542874 YJTRNJAHIKAZSC-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CO)CCCO)cc2Cl)OC1(C)C 2282306376 MIFNPCMRCAFZSX-JTQLQIEISA-N 425.765 1.112 30 10 IDEE CCn1cc(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2334269925 NJIVEKBAEBKGOZ-FVQBIDKESA-N 446.357 1.940 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@@]2(C(N)=O)CCN(C(=O)OC(C)(C)C)C2)n1 2337045108 BPFQIJXANOCFRI-QFIPXVFZSA-N 447.341 1.933 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)cc1 60833358 CCTNJUHNHKWHRN-UHFFFAOYSA-N 443.573 1.618 30 10 IDEE CSc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443832 LFAZAECGWXWYCA-HUUCEWRRSA-N 438.513 1.417 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(N3CCC4(CC3)OCCO4)=NC(O)=C2[C@@H]1c1c[nH]c2ccccc12 72444393 WEJFWHOOZJUFAS-YOEHRIQHSA-N 446.467 1.898 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 102755864 JIPPHVCPVRLHEZ-LAFOYAEKSA-N 425.489 1.186 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1 109663636 GNKTWEPSQNGAHH-UHFFFAOYSA-N 440.401 1.485 30 10 IDEE N#CCCn1cc(/C=C/C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)c2ccccc21 110969701 LWQGAGJZSGJXLA-RXDZQLDNSA-N 426.542 1.946 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NS(=O)(=O)CCCC)cc2)CC1 438267342 GNECABPPXZQNDM-UHFFFAOYSA-N 437.566 1.680 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 460929344 DSQSVSJMSXOVNV-ULQDDVLXSA-N 441.598 1.827 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)OC)c2ccc(OC)cc2OC)c1 472640173 QMTLBPYHLWKICS-LJQANCHMSA-N 448.497 1.812 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C[C@H]1CCCO1 480941018 XDAVCWWNLSQTPT-CQSZACIVSA-N 447.582 1.578 30 10 IDEE CCOC(=O)c1c(NC(=O)N(C)C[C@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 481475827 DJYAADVCLSONOR-CYBMUJFWSA-N 426.495 1.081 30 10 IDEE CN(C)C(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 482019395 ZDYPWWGQYDSLLG-UHFFFAOYSA-N 426.498 1.407 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)CC1 498513557 IYFZFTZVISYMAE-FYYLOGMGSA-N 441.576 1.602 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)C2=O)cc1 508653847 GNHOFVVBVABGGB-PXNSSMCTSA-N 437.475 1.836 30 10 IDEE CN(C)C(=O)[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)CCN1C(=O)Cc1cccc(C#N)c1 532909410 BQPLAAVPNLXTJO-QFIPXVFZSA-N 443.507 1.343 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](C(=O)N3CCCC3)C2)CC1 537250166 YCJWNYUXZQDAFU-RBBKRZOGSA-N 441.551 1.869 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 555244536 OIQVTVRGBNQTOS-GOSISDBHSA-N 430.534 1.695 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 603999925 FFQOZJNABJCDKZ-UHFFFAOYSA-N 430.489 1.926 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@H]2c2ccco2)CC1 609739642 HNRYULMSBYOBAV-SFHVURJKSA-N 444.513 1.058 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)n1 610784028 YSQHPXACNFLESW-UHFFFAOYSA-N 448.548 1.779 30 10 IDEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671666221 VIIMSGQMAXVHPW-KRWDZBQOSA-N 431.518 1.327 30 10 IDEE N#Cc1c(CCCNC(=O)NCCCN2CCOC2=O)nn(-c2ccc(F)cc2)c1N 728398394 UXDJDFBVGRDPKW-UHFFFAOYSA-N 429.456 1.539 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCO2)C1=O 730138967 OZRZYLHQVCGVGY-WMZOPIPTSA-N 429.546 1.737 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)Cc2ccccc2C1 737983704 FHVASMVEHHFMSO-LJQANCHMSA-N 441.553 1.930 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 743729106 WROXOMAYINVQDN-MRXNPFEDSA-N 444.557 1.050 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N 749550957 MFWPEUMOGOUDRJ-UNASGJGJSA-N 434.452 1.649 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(Br)=NN1c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 756096275 FOGMXRBDZGZMQE-CVEARBPZSA-N 438.347 1.931 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756883854 LMUDXMVFTMGAIZ-GZBFAFLISA-N 440.497 1.368 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761085246 MZNRQFLHNABGTI-UHFFFAOYSA-N 438.459 1.889 30 10 IDEE CC(C)[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 768181601 YTVLUNKYDLVIEM-OAHLLOKOSA-N 430.324 1.748 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCc2ccccn2)C1=O 771901605 GKVNKFKRKLMHSX-KRWDZBQOSA-N 425.514 1.881 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O)c1cc[nH]n1 772639835 ISJCGFNHPRJPEF-QGZVFWFLSA-N 441.488 1.540 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 780208679 DGQSWRGLARASNV-QUCCMNQESA-N 434.514 1.483 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc1 793430766 LQVPROBJVWBZHH-CYBMUJFWSA-N 449.460 1.806 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 800776723 HLLXMCWWBZVDBG-GOSISDBHSA-N 439.520 1.931 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H]2CCCO2)CC1 802685839 POVAQDYVOFZEOO-FQEVSTJZSA-N 436.564 1.386 30 10 IDEE C[C@@H](OCC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)c1nccn1C 805861731 UXKDKNRULOTKKB-SJLPKXTDSA-N 435.488 1.791 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@H]2CCCO2)cc1C 808130673 FRRWABOREYOQPT-LJQANCHMSA-N 448.548 1.825 30 10 IDEE CC(C)CN(C(=O)CON=CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 917624853 QOEFZDCPDPAOLK-CQSZACIVSA-N 431.461 1.577 30 10 IDEE Cn1ncc(I)c1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1132691057 RZDMXZNFXMYMAY-GFCCVEGCSA-N 449.252 1.566 30 10 IDEE C[C@@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1138106058 CJOABPMVMSDBGX-HNNXBMFYSA-N 428.489 1.616 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)C1 1153865779 IHKOZWZBMCFTTQ-JQWIXIFHSA-N 428.898 1.627 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 1161461409 GMLBHJCRLZFNAK-DOTOQJQBSA-N 434.518 1.304 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)cc1 1171140050 QDYJPURIYXEYDA-QGZVFWFLSA-N 427.486 1.688 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2nc3c(F)cccc3cc2Br)CC1 1187438037 PAECTXKEYYKRQT-UHFFFAOYSA-N 427.299 1.726 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCC(n2nncc2I)CC1 1196125978 VEXYHLDFPIPYBD-LBPRGKRZSA-N 430.294 1.528 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(OC)cc1 1286272259 AOMBUQXIZRPWIA-ARFHVFGLSA-N 435.550 1.822 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286389821 RGTMLTRYPINEQA-SJORKVTESA-N 449.577 1.063 30 10 IDEE C#CCN(CCOC)c1nnc(CC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1286467628 ZOKAOFQKMUZQAK-BZSNNMDCSA-N 433.553 1.951 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286680381 IVPACQGNOBHXAP-UHFFFAOYSA-N 445.612 1.907 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1286727317 PEYWKUZDOJZISR-SFHVURJKSA-N 435.550 1.621 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286791858 FNIMZTNYJVUAKS-GOSISDBHSA-N 446.515 1.758 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1 1286969470 GMMVYUKEMQIFTB-AWEZNQCLSA-N 445.549 1.148 30 10 IDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1289237629 CFAFKSLEUVHPGR-LBPRGKRZSA-N 431.547 1.894 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 1290045560 IDSGPIDBBYAUEP-UHFFFAOYSA-N 426.473 1.953 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300391448 NZQSLLXTNMYPRH-APWZRJJASA-N 431.562 1.816 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCO[C@H]1C 1301426242 QJQJIQIEVSYYBG-HTAPYJJXSA-N 426.521 1.695 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1301500443 MPBLFJDRGADCCJ-PMACEKPBSA-N 425.533 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](COCC)C1 1301584450 AIPLJWHBFOFNFA-HOTGVXAUSA-N 425.555 1.083 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1302106707 YGZXGNRYZGRSBF-ATZDWAIDSA-N 431.493 1.899 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1302310720 CQHIOLIQDMJQIG-YZVAWVHESA-N 445.520 1.848 30 10 IDEE C=C(C)C[C@@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1303111285 FYVBAXOTOYZGNC-QZTJIDSGSA-N 428.489 1.550 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1314805830 FBZLTMJABLHOHJ-SFHVURJKSA-N 436.520 1.854 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358967384 JJMVGYFITGLATQ-RTBURBONSA-N 437.610 1.706 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1358978336 JSBNIFYRVJVSQJ-UYAOXDASSA-N 437.569 1.704 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCn3ccnc3C2)CC1 1359029771 HMEVMQTVWBMZPE-RTBURBONSA-N 427.553 1.216 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cccc(C)c2)CC1 1359033649 KIGLIGJRYDBASF-UHFFFAOYSA-N 429.528 1.834 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1359034167 GFPFHYHAQKMFDA-SFHVURJKSA-N 435.532 1.910 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1359036587 AKYWTPUICSNBLL-HSZRJFAPSA-N 449.647 1.959 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359132250 RMJMOXZTRPXBRC-MOPGFXCFSA-N 443.552 1.541 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCNS(C)(=O)=O 1359244081 QBWKOKRREUGNJI-UHFFFAOYSA-N 444.355 1.791 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359516379 YKQAPNXFTKBLMJ-BRWVUGGUSA-N 436.582 1.509 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCC1 1360283841 DDTJLHQVMRQTDX-UHFFFAOYSA-N 426.521 1.995 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](F)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1435909856 BRNHTYJUGVCTKA-WBVHZDCISA-N 434.516 1.844 30 10 IDEE Cn1ncc(Br)c1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1438355976 IJJIIEYMKOKNHP-UHFFFAOYSA-N 426.296 1.305 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1438400242 GRXARGILRUKNAJ-HNNXBMFYSA-N 448.900 1.651 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)s1 1442031188 FCSRWLHYUIVNLR-INIZCTEOSA-N 437.543 1.655 30 10 IDEE CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)NCCN(C)C 1447190546 AOKUXYZNWGEWEC-APWZRJJASA-N 447.967 1.773 30 10 IDEE C=CCCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OC 1455837227 QDOGIHPBWNMZRV-AWEZNQCLSA-N 425.438 1.810 30 10 IDEE CS(C)(=O)=NCC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1456040760 XPGOYLWWEDNNMG-UHFFFAOYSA-N 426.564 1.458 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3cccc(I)c3)C[C@H]1CS(=O)(=O)C2 1460884532 UXBHCYVSFCNBSO-XHDPSFHLSA-N 445.282 1.100 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)C1=O 1470922359 ZEUQDNUCHHZCSP-CQSZACIVSA-N 426.395 1.401 30 10 IDEE C=CCC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1 1471823349 ORGPWJRLQXXSNV-ZIAGYGMSSA-N 428.938 1.901 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1495486254 FCQRUOTZLABLGO-ITZAQCPESA-N 429.525 1.423 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1502209047 NZQHKCQEYYCNEK-FQEVSTJZSA-N 433.534 1.493 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCNC(C)=O)c1 1507549137 FMPZGVVZWQTBRJ-UHFFFAOYSA-N 433.516 1.866 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1507556718 CWLGXQRLPPXBTD-NRFANRHFSA-N 429.546 1.854 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCCS(C)(=O)=O 1507608768 RQDKFDCMGHPBEK-UHFFFAOYSA-N 428.518 1.261 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507631472 PUMUYMWDLYQIRG-MJGOQNOKSA-N 429.546 1.700 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507648181 LNHSWCNKKYDMOI-NRFANRHFSA-N 427.512 1.709 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CCC)CC1 1507732542 WJYPIRYBIKHIDB-PMACEKPBSA-N 448.637 1.200 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1507797826 FKYBXNVMTGGZKZ-UXPWSPDFSA-N 441.532 1.886 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507837839 GCIGNKYJLXPEQK-UHFFFAOYSA-N 430.534 1.491 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508137757 QWFRNYZVGZZPGT-KRWDZBQOSA-N 446.577 1.476 30 10 IDEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1512700835 OEFRZWKWWOKUIG-ALIIGJLFSA-N 441.532 1.974 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)n1 1517425608 FMLLQZYUCJWBOK-UHFFFAOYSA-N 431.302 1.738 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1517625320 CSNNFMRFGFUNSI-UHFFFAOYSA-N 426.449 1.123 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1518636834 DINBEBPNHPTTDK-SFTDATJTSA-N 438.532 1.927 30 10 IDEE COCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1518802511 AWOHTTOMWJMEDB-MSOLQXFVSA-N 431.518 1.104 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)c1 1520109230 AABUUAWKQSHEPF-UHFFFAOYSA-N 430.530 1.694 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1539155565 XPEPKBHTLCZZLI-DEOSSOPVSA-N 439.560 1.880 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccnc(-n2cccn2)c1 1539193468 CHTUZGCGESWRDN-UHFFFAOYSA-N 432.513 1.968 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539224841 IYXCTZMOHDLUNJ-PMACEKPBSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1539296637 SBYJVMTVGIDJNF-MOPGFXCFSA-N 434.610 1.616 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](OCC)C(C)C)CC1 1539447425 RYWACXJJSKFJSA-RBUKOAKNSA-N 437.610 1.387 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539633273 XVKPYHSQSQLKDX-FYQPLNBISA-N 433.553 1.495 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)Br 1540072353 KWGHHXPEUVKFLH-JTQLQIEISA-N 444.302 1.221 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1540074629 ZZQBIHNTJRWRGT-QZTJIDSGSA-N 449.577 1.777 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1540198757 PNSOXBRSDAEYCS-UHFFFAOYSA-N 437.522 1.222 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(Cl)nc2C1 1540858061 FZFHZESXUPEQPQ-OAHLLOKOSA-N 438.941 1.408 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCC2)C1 1540874858 UJRVEIFYFLBTHL-IBGZPJMESA-N 426.569 1.507 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCOCC2)cc1 1540876885 FGDZBYJWUIVNOW-MRXNPFEDSA-N 435.550 1.728 30 10 IDEE COC(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 1545797703 WIBCNLUXSANXOC-UHFFFAOYSA-N 431.470 1.227 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N 1556540474 AVNUSEXRZYLCBP-IUODEOHRSA-N 444.351 1.924 30 10 IDEE C[C@H](CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)/N=C1/NS(=O)(=O)c2ccccc21 1559011054 XDOIMNAQTVDGDR-RDTXWAMCSA-N 426.498 1.567 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(C#N)cn1CC 1562960194 FLBAIAXOUBVRGK-CQSZACIVSA-N 439.538 1.692 30 10 IDEE CN(C)[C@@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 1565324730 VSQDONFXXHGHDX-INIZCTEOSA-N 447.483 1.457 30 10 IDEE C#CC[C@H](NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)OC 1570219072 RKXVWLBAPWOZCS-HNNXBMFYSA-N 441.465 1.836 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCCS(C)(=O)=O 1587614788 NKJGAWNJHLFLBI-KRWDZBQOSA-N 442.545 1.650 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2CC[C@H](CO)O2)c1 1587697871 ZOPHSVOTFXCOEU-XUVXKRRUSA-N 439.516 1.726 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(C#N)nc4)C3)[C@@H]2C1 1588148517 LXXXHFAOWIEILW-ZACQAIPSSA-N 427.461 1.608 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cnnn1 1588458205 DJQNJGFOLFGURW-INIZCTEOSA-N 429.529 1.886 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1588983791 BVCCWOXCGDFYFW-OAHLLOKOSA-N 427.596 1.262 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1589294830 BCSCIKUHRZANAG-ZDUSSCGKSA-N 448.387 1.804 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589514202 DUDJOKCELWVCOF-NUJGCVRESA-N 436.582 1.919 30 10 IDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1593746506 HBOVKEZCQNJMCE-UHFFFAOYSA-N 434.585 1.633 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)s1 1596011953 BGTRPEWHVBAURE-ROUUACIJSA-N 441.619 1.639 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@H](CC#N)C(F)(F)F 1596783760 RALKAQCYLZVGBQ-TZMCWYRMSA-N 435.424 1.189 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)CC2)C1 1598208631 OXMGGSOIFOGZPF-SFHVURJKSA-N 434.514 1.622 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 1624819238 GJPGGQSEIRSCFA-ROUUACIJSA-N 428.489 1.648 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)o1 1632501290 PTSXCUOJBWMFCC-WBVHZDCISA-N 433.509 1.558 30 10 IDEE N#Cc1c(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)[nH]c2ccccc12 1634475851 PXKGOQUPODZQKO-UHFFFAOYSA-N 429.424 1.630 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 1635802122 KXYLWNSPFRJFEI-INIZCTEOSA-N 443.525 1.901 30 10 IDEE C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1=O 1636223962 IYUUHXQYSXAFPI-DYVFJYSZSA-N 427.436 1.218 30 10 IDEE N#Cc1cn(CCO)c(=O)n(Cc2ccnc(-c3ccc(Br)cc3)n2)c1=O 1641282979 WTPJUGLSGWXQOJ-UHFFFAOYSA-N 428.246 1.142 30 10 IDEE C#CC[C@@]1(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1643551819 IEAWTDHZKWIEPN-RDPSFJRHSA-N 448.608 1.692 30 10 IDEE CN(C)[S@@](C)(=O)=NCC1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1655054316 AZHAZJSFZOZUID-HKBQPEDESA-N 443.577 1.969 30 10 IDEE N#Cc1cn(CCNC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c(=O)nc1O 1661022472 GLIVZUBOGABUBX-UHFFFAOYSA-N 447.377 1.906 30 10 IDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1663613148 DITIKMNCFVYBTF-QGZVFWFLSA-N 431.470 1.519 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1664407420 QBCNXILAJOGICM-IEBWSBKVSA-N 426.535 1.877 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OC 1668852672 WXLOLVXHCGHFCC-LBPRGKRZSA-N 436.280 1.341 30 10 IDEE N#C[C@@]12CN(C(=O)NC[C@H]3CSCCN3Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 1671605830 FURPYHOUZBNURQ-BJLQDIEVSA-N 434.587 1.184 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689835805 SVSGVMFEDCGXAV-DLBZAZTESA-N 441.532 1.915 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1 1690235164 YVQUZFSUGUSGDZ-STQMWFEESA-N 435.344 1.146 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1ccccc1CC 1690670891 LLZSAPZMBCMZLA-QGZVFWFLSA-N 426.521 1.722 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1696688976 BDKNFPNHZKAIQI-UHFFFAOYSA-N 431.500 1.631 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 1696810684 NAYLWFXBSQSPJD-QGZVFWFLSA-N 433.534 1.636 30 10 IDEE COCCN1C[C@H](Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1=O 1698074828 GTEYSMLEDMADJS-OAHLLOKOSA-N 439.520 1.431 30 10 IDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1698278107 BIIUFSHNOSEZEP-FUHWJXTLSA-N 431.518 1.389 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1705564047 KASFQOPLBFWEEQ-AVRDEDQJSA-N 444.557 1.686 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705566358 MZFOPKWELCGUOB-SFHVURJKSA-N 449.621 1.942 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCOCC1 1705603184 KOFBBEZPVWYTSW-HKBOAZHASA-N 429.565 1.433 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCn1ccnc1C 1705668379 KBPXQEOBWZDRTJ-OXQOHEQNSA-N 433.582 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705937605 YTEUCYCPMHYZEP-QZTJIDSGSA-N 432.594 1.784 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1707798200 LXZMWPSQHJORDZ-VZCXRCSSSA-N 449.519 1.786 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1710329591 XCFSDROXVDMMLB-GOSISDBHSA-N 429.500 1.059 30 10 IDEE CN(C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CCSC1 1711001051 FVOMUVDDLUFOPW-HXUWFJFHSA-N 430.603 1.823 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1711149764 IPFXERXZHKKUAW-AEFFLSMTSA-N 437.504 1.668 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1722277419 NIJBNCJIFBWNOD-ROUUACIJSA-N 444.605 1.990 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722306285 HLBIJZBCBZXTRH-GOSISDBHSA-N 441.580 1.107 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367924 PBURXQGQJZAQLV-MOPGFXCFSA-N 436.578 1.616 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2nnn(C)n2)CC1 1722431975 UMESREQAOMAYRW-SFHVURJKSA-N 435.536 1.362 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722493897 LETVRDDBLWUCFO-NVVBAYIOSA-N 444.580 1.894 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1722508413 SDJAAMDZMYHRPU-QUCCMNQESA-N 426.521 1.616 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722535603 LMYXANRXHGNYGG-NPPFBWRTSA-N 433.553 1.766 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1722538441 XXHSBVQOJWRDHO-IXDOHACOSA-N 427.571 1.296 30 10 IDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1722540067 ANMJEWIIXRCVJK-LAUBAEHRSA-N 429.546 1.595 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722626428 DECBALMDPATRIW-YADHBBJMSA-N 449.552 1.942 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(C)(OC)C1 1722688549 FSPMMZYFRWFSHD-UHFFFAOYSA-N 447.565 1.074 30 10 IDEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(F)cc1 1723809693 HJSCTFSPHCAKQL-MAUKXSAKSA-N 428.468 1.849 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1724019482 YPUJKNDSURMHNP-KRWDZBQOSA-N 442.545 1.212 30 10 IDEE C[C@@H]1CCCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1726545265 GTJHQMUSBMVLPA-QAPCUYQASA-N 448.549 1.750 30 10 IDEE CC[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1727769250 SZRLLHANMZQXIL-UNEBPCJRSA-N 438.536 1.902 30 10 IDEE CON(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1730972549 UUXLNQJWKLTTAI-VXPUYCOJSA-N 426.477 1.998 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1731184031 YTIWVUFCKIKSNN-DNVCBOLYSA-N 433.513 1.519 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC1CCCCC1 1740542438 VMEINWZMBMKXHM-INIZCTEOSA-N 433.520 1.828 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1740708745 AMXKNRQFYHAODT-QGZVFWFLSA-N 448.618 1.581 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1 1740724383 AZUDUWTUBBQNKH-KFKAGJAMSA-N 440.639 1.318 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740884712 KLENWHIKSDDXJA-KRWDZBQOSA-N 434.566 1.870 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740957837 BQZLFKIIRLRJCD-QGZVFWFLSA-N 444.496 1.768 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1741000087 UGNHQEHUMAEVEK-UHFFFAOYSA-N 443.577 1.433 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1741116627 ODVFVLJCZVUFKZ-GOSISDBHSA-N 430.534 1.214 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1 1741885363 FBYGOFBTFULGMW-MRXNPFEDSA-N 427.534 1.973 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)CCOC1 1746734897 OHSZPHCDRHCNFS-BBTUJRGHSA-N 435.525 1.245 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747539402 URJHKKAEGDHHEK-UHFFFAOYSA-N 428.456 1.440 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1748953525 OMURKMLJCHQCGL-FQEVSTJZSA-N 448.365 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1749009941 MZNPKESYOFXIMR-OTWHNJEPSA-N 431.537 1.025 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC=C)CC1 1749010442 RXAADFPXXHSNGR-SFHVURJKSA-N 449.577 1.086 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1749033245 CACCNRZWLXULAN-AWEZNQCLSA-N 439.545 1.779 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1749412161 KNOKWPYKNKDELR-CQSZACIVSA-N 438.533 1.110 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1749729173 CRRCCVMMJBIXAQ-HXUWFJFHSA-N 436.509 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749729792 SBOZEEKROKFMMZ-WBVHZDCISA-N 430.534 1.188 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749729800 SEQSFNWBKHJRDC-WMLDXEAASA-N 449.964 1.914 30 10 IDEE COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1749797871 AFYRYFWMYKGQLJ-OAQYLSRUSA-N 447.561 1.475 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1750095211 CEDNIBJVTMILLO-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1750568954 GZKZDUQSCDAQML-UHFFFAOYSA-N 425.537 1.357 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1750586328 VMTPJOPIMVNFDM-DHIUTWEWSA-N 438.532 1.995 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cc(C(C)(C)C)no1 1751207859 CCPLXJMNMWCAEZ-ZDUSSCGKSA-N 435.554 1.962 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(C)(C)O)n1 1751851909 GMZYBKNUAMNQPZ-UHFFFAOYSA-N 449.563 1.894 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1760098957 XXUVHTKCBBRQII-JKSUJKDBSA-N 427.534 1.580 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 1760141387 SOBDTZIBDBAVPN-UHFFFAOYSA-N 428.581 1.753 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CCN1CCCS1(=O)=O 1760243342 GRPKTLFMKFDQPK-UHFFFAOYSA-N 435.525 1.629 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(F)(F)F)n2)CC1 1760261507 SBCHZHQEXURFPY-UHFFFAOYSA-N 447.465 1.618 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1760374049 HMNVLHKAXBZNDV-SJORKVTESA-N 446.017 1.870 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCOC)CC1 1760389071 BBZAJLQFBQQPRL-QGZVFWFLSA-N 427.571 1.584 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760407125 VBBRDVASJRIUKP-RZQQEMMASA-N 441.598 1.875 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760407629 JOAFDLCOHLEAKC-HNNXBMFYSA-N 426.587 1.537 30 10 IDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1760451846 VRUDHGZRBBPAPT-UHFFFAOYSA-N 425.541 1.834 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1760486965 FYPTWKFZHWQTNF-CQSZACIVSA-N 433.563 1.611 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760520628 UZFBDCVPZACYOS-FXAWDEMLSA-N 442.539 1.933 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC=C)Cc1ccccc1 1760522043 KPCDVPUTMSLJSO-GOSISDBHSA-N 429.546 1.675 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760527644 DEEFKUGOSSFMOH-HOCLYGCPSA-N 428.468 1.013 30 10 IDEE CC(C)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760912871 VVQBBEUAFGJESB-DPPKGPFUSA-N 443.552 1.086 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC(=O)N1C 1763177084 AQHWMWDEWBKYSQ-GOSISDBHSA-N 435.532 1.658 30 10 IDEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1763385945 GCUGLXMPHPTWLD-LAUBAEHRSA-N 445.545 1.657 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1766681983 BDNXAMULBYWLRR-INIZCTEOSA-N 430.534 1.343 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C[C@@H]1S(C)(=O)=O 1772794038 YGTNEMVNUALDJO-ORAYPTAESA-N 438.458 1.069 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1772889331 ZUKJFDFFEWODCG-LGYWMIHWSA-N 441.532 1.987 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@H]3C#N)cc1 1848849769 PKLVANCORINZCD-SFHVURJKSA-N 435.546 1.736 30 10 IDEE C=CC[C@@H]1C(=O)N=C(NC(=O)c2ccc(I)c(OC)c2)NC1=O 1851879635 SIFCDEDWDIQYAH-UHFFFAOYSA-N 427.198 1.234 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)NCCN3CCC(C#N)CC3)CC2=O)CC1 1852807584 MCUVPOQTUASNDG-GOSISDBHSA-N 447.580 1.586 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 1852924938 GBPHVJLIGMZCMK-MRXNPFEDSA-N 434.562 1.589 30 10 IDEE CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1853612817 MLMRSFFOKJYIQL-OAHLLOKOSA-N 438.937 1.114 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C1=O 1854609357 VVJZBTNYVSKVLA-WOJBJXKFSA-N 431.558 1.950 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1F 1889627834 DRRPTQKWUVFKIN-UHFFFAOYSA-N 439.553 1.255 30 10 IDEE C#CCO[C@@H]1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891387830 RZMOIYOPYPQWRH-IAGOWNOFSA-N 435.509 1.870 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1cc(Br)ccc1F 1891495151 NLTLFFLFICCEBX-UHFFFAOYSA-N 426.271 1.759 30 10 IDEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1891578598 XFUUICIPBXVSLW-FQEVSTJZSA-N 431.492 1.946 30 10 IDEE CC#CCN(CC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C 1900633795 YHUQLTZKWAMOPH-AWEZNQCLSA-N 427.498 1.731 30 10 IDEE C[C@@H](C#CC(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1)NC(=O)OC(C)(C)C 1901983557 MNJVEYFXQZGVNH-RNODOKPDSA-N 425.482 1.483 30 10 IDEE Cn1cc(Br)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2058153433 USROZAABCYZKPK-SNVBAGLBSA-N 434.316 1.316 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2243387690 YYMKFDXGWYRWHK-UHFFFAOYSA-N 440.309 1.896 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243438054 GOUCYGFOTCLTDF-STQMWFEESA-N 444.384 1.991 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255596323 MHZGFQLUVMGXKG-NSHDSACASA-N 430.236 1.240 30 10 IDEE C[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255602474 SVJKUSYERQOAMM-JQWIXIFHSA-N 430.236 1.238 30 10 IDEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255658485 DWEFPYIFYBKQPX-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256912758 XVLONVNSVDHKNQ-INIZCTEOSA-N 428.298 1.024 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267194747 RROVIMNIKZOMOS-PEBXRYMYSA-N 446.357 1.767 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267225140 TYSFUUBVALRBDA-QGZVFWFLSA-N 439.369 1.851 30 10 IDEE Cn1cc(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2267495060 XIYHUUACWDDJKZ-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267538329 UDXISNBQUTUUKT-HUUCEWRRSA-N 448.329 1.140 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 2268652386 TZCRABDEQRSOKA-UHFFFAOYSA-N 447.341 1.874 30 10 IDEE COC[C@](C)(O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312583 YLTXSOQJIVMTNR-OAHLLOKOSA-N 425.765 1.376 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)n1 2296612477 FSBGYPVRMFZPOY-FQEVSTJZSA-N 440.475 1.986 30 10 IDEE CN(CC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)s1 9748208 GMTPPMDHTCLUMY-UHFFFAOYSA-N 448.526 1.351 30 10 IDEE CC(C)(C)c1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)on1 15445505 JZJXTMODIXDCKS-UHFFFAOYSA-N 431.518 1.789 30 10 IDEE COc1ccc(OCC(=O)NCC(=O)Nc2ccc(S(=O)(=O)/N=C(/C)O)cc2)cc1 96575052 JNFRAFCMJVQUTO-UHFFFAOYSA-N 435.458 1.494 30 10 IDEE Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 102521426 UOCKYIFAPLBHLV-NNWMPZTLSA-N 447.495 1.792 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 409525161 ICTFXVACVWXMRE-UHFFFAOYSA-N 438.594 1.454 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 461199785 ZNNOTRXYWJUPLM-QXAKKESOSA-N 433.530 1.163 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 478752067 CMNHBWJHXYWZAJ-LSDHHAIUSA-N 430.551 1.649 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)ccc1F 488823514 NBPFSZRCWNOMKV-UHFFFAOYSA-N 449.529 1.881 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ccc1F 495256470 NBMLSHUQLFRFDG-MRXNPFEDSA-N 446.508 1.271 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506845565 RGTCGSRXTVKAQI-OAQYLSRUSA-N 434.544 1.873 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 508948421 ZXUXGQBUUVIHRW-DLBZAZTESA-N 425.555 1.383 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3nc(O)c4ccccc4n3)CC2)c1 513785907 WAGYHFPPEWNWTC-UHFFFAOYSA-N 437.525 1.799 30 10 IDEE COc1ccc(C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c(OC)c1 513786156 ASFSODPURPKYJT-UHFFFAOYSA-N 443.525 1.807 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 514475032 GVNGMUNYENQZAH-HNNXBMFYSA-N 447.507 1.786 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 514504974 HOFCQVVEIJFVLN-UHFFFAOYSA-N 426.502 1.847 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1 514712399 AZQGQHVRMVBAMV-UHFFFAOYSA-N 426.498 1.258 30 10 IDEE C[C@H](C#N)CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CC1 532817233 AOKGXEFEINUSNH-CQSZACIVSA-N 440.953 1.923 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(NC(=O)c4ccoc4C)CC3)CC2)o1 532942523 JGTRUCHWMYSTEZ-UHFFFAOYSA-N 440.504 1.299 30 10 IDEE COc1cc(F)cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 539912051 SCWNKGAXODLKTI-UHFFFAOYSA-N 432.477 1.922 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 549678542 GEYPJZYVCWLKTL-AQNXPRMDSA-N 446.596 1.759 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 569142506 SIPOFRXVWVYZOZ-HNNXBMFYSA-N 442.545 1.639 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)CC1 582534701 SIGCWZHHUBLMTM-SJORKVTESA-N 425.555 1.192 30 10 IDEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 582562456 ZOHIPASHHSOEJZ-CQSZACIVSA-N 439.559 1.041 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)NCc3ccco3)cc21 586357111 IWNKMJJKVPXMML-KJEZJMDVSA-N 430.482 1.827 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)cs1 604002597 BYYYYQHBOIUDMY-UHFFFAOYSA-N 447.545 1.661 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC1 605414186 HAAQYSFYDNKQOH-UHFFFAOYSA-N 445.589 1.256 30 10 IDEE CCOc1ccc(CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732465508 GITCTRRNHZOMNW-QZQOTICOSA-N 427.505 1.439 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 734271133 DNAIMFPMURTKNV-ZWKOTPCHSA-N 437.585 1.651 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)c1 740211882 DNAJATHGOVUYST-GOSISDBHSA-N 432.454 1.554 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)s1 745251853 CNEXTANBHINLBZ-LBPRGKRZSA-N 437.499 1.896 30 10 IDEE COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C#N 746888118 YFILLMUZRVSRMA-UHFFFAOYSA-N 432.502 1.889 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2ccc(C#N)cc2C)c(N)n(Cc2ccccc2)c1=O 748413390 YQCHRHQGNHGSIA-UHFFFAOYSA-N 446.463 1.880 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Cc3cccc(C#N)c3)C2)CC1 749413856 OSRQHFBGIHMWMZ-UHFFFAOYSA-N 448.545 1.194 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 751634458 HMHXYDIVPWIHFC-SMDDNHRTSA-N 437.474 1.774 30 10 IDEE CCc1ccc(S(=O)(=O)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 755971242 CEPHAARMOHMXHJ-GOSISDBHSA-N 440.481 1.831 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc3c(c2)OCO3)C1 760323809 QYWZNFCUUDPJBQ-BBRMVZONSA-N 447.517 1.287 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 762564653 KAWAZLPSOZRTLV-QAPCUYQASA-N 435.546 1.973 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)ccc1F 763775662 ATAVLEJJJHITCK-NVXWUHKLSA-N 438.477 1.848 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C)c1cc[nH]n1 772338990 MPBYKMPINDVCIZ-KRWDZBQOSA-N 427.505 1.817 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 774215363 FESHKOUCIUJDNF-JKSUJKDBSA-N 443.447 1.643 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 777288322 RYVAOWNIPQLRQW-JOCHJYFZSA-N 432.496 1.184 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cccc(C)c1 782832820 LDNIKDHPBNNEFE-OFQRWUPVSA-N 448.545 1.519 30 10 IDEE COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783941203 BRAJLJGPADRNCV-UHFFFAOYSA-N 442.566 1.922 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 790108719 CALCVMVOAQRAGF-UHFFFAOYSA-N 436.559 1.651 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@H](C(=O)OC)C1 802566615 XXWCSSVJZCNMAB-KRWDZBQOSA-N 429.477 1.659 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1 807930840 WBKXGJMVWDZAEH-KRWDZBQOSA-N 429.550 1.323 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 810042516 YREHAAIZMSLWTJ-HNNXBMFYSA-N 431.495 1.701 30 10 IDEE C#CCN(C)CCCNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 818609007 FVGOFUTTXNDGGG-YAIJSEKYSA-N 431.536 1.537 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1 1146343949 DYAZRPWGRNRJBI-UHFFFAOYSA-N 426.542 1.896 30 10 IDEE N#Cc1cnccc1SCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1166494084 DKAQAXYKPNJDJD-UHFFFAOYSA-N 438.481 1.857 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 1180244541 OPSYCIBPRAJFAW-BXUZGUMPSA-N 426.267 1.265 30 10 IDEE N#Cc1sccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 1192483792 FIMYZZJTGCYBQM-UHFFFAOYSA-N 435.922 1.964 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1196779122 RLTMAWSUVGJQIX-HNNXBMFYSA-N 425.507 1.266 30 10 IDEE C#CCOc1ccc(CNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 1216556821 CHHWMZYDSTTWBQ-UHFFFAOYSA-N 449.467 1.901 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1227478343 AAUZVECQHRXDFE-RHSMWYFYSA-N 426.495 1.496 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCOC)CC1 1286485038 AZIPAVBEGBTSSF-UHFFFAOYSA-N 430.553 1.297 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cnn(C)c2)CC1 1286490354 QXSBEAQSYILSJA-UHFFFAOYSA-N 435.536 1.011 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCC(=O)NCc2ccccc2)CC1 1286490918 WYSZJERUEMFIGJ-UHFFFAOYSA-N 434.544 1.828 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)CC1 1286546987 MATUSAQVXXTUMX-QAPCUYQASA-N 425.493 1.233 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1286765977 MFNZOCLLECIQAD-UHFFFAOYSA-N 440.548 1.903 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)c2cc[nH]n2)C1 1286804296 KJLHMFAGRLKEMV-INIZCTEOSA-N 437.504 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1286821340 HXXITWYAOFOUCV-UHFFFAOYSA-N 438.642 1.436 30 10 IDEE N#Cc1c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2n1CCOC2 1289683313 ISLNUDMGCJIJOG-UHFFFAOYSA-N 429.502 1.641 30 10 IDEE C=CCOC[C@@H](NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)C(=O)OC 1297030624 YBLYINZZQVKAAT-LJQANCHMSA-N 434.489 1.416 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C)c1cc[nH]n1 1298012308 VKCSKIJPHBLPNY-ZIAGYGMSSA-N 427.461 1.176 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1298094062 RQOYCMYGKBLMPB-QHCPKHFHSA-N 440.548 1.924 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1299933707 ISWVALKFEAAWIK-UHFFFAOYSA-N 445.501 1.956 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1300273478 QNWKKEUHOKYNMT-DLBZAZTESA-N 446.577 1.231 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1OC(F)F 1300431658 YMPZXMDHZPZKCF-NSHDSACASA-N 431.440 1.747 30 10 IDEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCNS(=O)(=O)Cc1ccon1 1300441453 OTSQKDPXBOSWJJ-UHFFFAOYSA-N 440.485 1.868 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300863184 KHRJAFZLMODBEU-DHSIGJKJSA-N 440.342 1.627 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1301036164 BGTOJTFIDYCOHQ-HZPDHXFCSA-N 435.960 1.115 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1301050667 DAOMTCAPVULFLO-CQSZACIVSA-N 434.932 1.728 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CCCO 1301278668 OJORNBMBJFLUSK-GOSISDBHSA-N 433.578 1.818 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CN(C)C)c1 1301298038 XQTDJNNZUGAYMB-IBGZPJMESA-N 448.593 1.343 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@H]1C 1301381281 YDDVBPMJFFWZKY-HRAATJIYSA-N 446.577 1.957 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1301384359 UTBUJTFXMKMGOT-HJPURHCSSA-N 436.516 1.910 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnc(C)s1 1301478850 QCISLBWTLTTWIV-UHFFFAOYSA-N 426.506 1.629 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1301500866 QDMXTCWVTYPZEJ-ROUUACIJSA-N 432.569 1.955 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1303721461 DORAWSOCQLZNOM-HFTRVMKXSA-N 433.509 1.852 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1316493502 VFOKBHSNQDVDAZ-QIMMGWNBSA-N 447.499 1.957 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1358930596 YNDNRWJLECEIFD-IIBYNOLFSA-N 432.521 1.831 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1359009971 CLYOUTWKFKFMDG-LSDHHAIUSA-N 438.579 1.331 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)SC)CC1 1359031646 KEYPERMAMHONDM-INIZCTEOSA-N 433.603 1.855 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1359089224 DXPLSYRBZOLMMK-QRFRQXIXSA-N 444.580 1.989 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C)C1CC1 1359251778 VPZIDISMFXXRTK-MRXNPFEDSA-N 429.612 1.907 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359304784 JHOCKWKIZIJSSX-OALUTQOASA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1359329354 GQCLWQSOTYXVPY-UHFFFAOYSA-N 449.577 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(C)C)CC1 1359331689 GFHXWUMCBDEIBM-GOSISDBHSA-N 425.599 1.899 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1359476439 DZFUAYXRAMEQFJ-CQSZACIVSA-N 429.550 1.911 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Cl)cn2)CCOC1 1360347741 MSADQAVCRAVKMG-LPHOPBHVSA-N 435.916 1.598 30 10 IDEE CCN1CCC(N2CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)CC1 1451676386 RLDZCGOUEMJVFK-UHFFFAOYSA-N 447.605 1.511 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c(CC(N)=O)cccc3C2)ccc1F 1454679738 UKPXKCHNJVVPMJ-UHFFFAOYSA-N 431.489 1.516 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)C[C@@H](C)O1 1464126526 SMNVYSNVQVZMOZ-GASCZTMLSA-N 431.518 1.151 30 10 IDEE COCCN(CC(=O)N(C)C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1464873924 WEDZFRTXTDRACB-FQEVSTJZSA-N 444.532 1.956 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1470095418 FBHOTLCMZZXYED-UHFFFAOYSA-N 449.514 1.545 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCc2ccccc2S(C)(=O)=O)C1 1478402560 CAQRXWSPMUNJND-HOTGVXAUSA-N 436.534 1.691 30 10 IDEE CCO[C@@]1(c2nnc(N(CC)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1502660207 LFMOMQULYATHOI-IBGZPJMESA-N 437.522 1.314 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1502714688 PFEZUIQBKZCNHI-YCRPNKLZSA-N 428.493 1.500 30 10 IDEE CN1C[C@@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C)(C#N)CC2)C1=O 1503674781 MOZRRCNKYWPMIU-NRFANRHFSA-N 441.561 1.878 30 10 IDEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1505261331 QVRYFHMODNHDLQ-MRXNPFEDSA-N 426.550 1.576 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1507679155 HKZYMSHHISSLMC-KUHUBIRLSA-N 437.591 1.897 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2ccn(C)n2)CC1 1507731715 AVBOFGQKYKPTGU-UHFFFAOYSA-N 435.532 1.597 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(C)CN(C)C2=O)CC1 1507739747 KBQSODXDBLNUOC-VWLOTQADSA-N 448.571 1.507 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1507752038 UJNCMHWZNJSKCC-INIZCTEOSA-N 425.580 1.134 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507810148 WBQKDZGDSGMKMX-BXWFABGCSA-N 437.566 1.005 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(Cl)c1 1508072161 FDLONZZLFZSXBR-ZDUSSCGKSA-N 440.957 1.480 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1508111794 JALXUWFWPGNAHZ-SJORKVTESA-N 432.550 1.403 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCOCC2)C1 1508113214 FXRGIEAAYQFJBK-GCJKJVERSA-N 436.553 1.642 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)[C@@H](C)C1 1508235358 DPMJGOCKGRHWTG-INIZCTEOSA-N 447.499 1.783 30 10 IDEE CC(C)Cc1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509173817 ZRPRHLJKJLGEMD-MODMUFLJSA-N 441.536 1.204 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCOCC2)CCO1 1517534888 DVIZDOWKNOKCEU-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1519152089 OGEWTOTUPPCMNO-GOSISDBHSA-N 445.545 1.230 30 10 IDEE C#Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 1522547300 NJABWVJJMAGOAW-UHFFFAOYSA-N 443.500 1.590 30 10 IDEE C=CC[C@@]1(C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)CCCN1C(=O)OC(C)(C)C 1529204400 OWQDXGYMBKBANX-QOIOWGMHSA-N 428.551 1.603 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1539265698 JNCTWHHJRUQIRF-IBGZPJMESA-N 439.541 1.454 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncccc2N(C)C)CC1 1539429831 CTMUIWJDIJMXSK-HSZRJFAPSA-N 439.564 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539474496 RTCNGFKLQZPRIL-IBGZPJMESA-N 434.544 1.826 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1540867387 USYXMJNUOSOCOY-GOSISDBHSA-N 437.504 1.834 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(N)=O)c2)C1 1540881508 LCEJVBTWZBEMMA-LJQANCHMSA-N 438.532 1.637 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1540897217 DIUWEBBNWQLYEH-OWCLPIDISA-N 447.627 1.504 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1541104750 BAQNJTHOPMBOTA-LSDHHAIUSA-N 448.549 1.578 30 10 IDEE Nc1c(I)cc(F)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978771 XKBXPOZAHCGEBK-FYWRMAATSA-N 444.204 1.269 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@]1(C)COCCO1 1544582602 NKPNVRPEGNWCDU-ZHRRBRCNSA-N 440.552 1.758 30 10 IDEE CCn1cccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1=O 1547627509 XQHIXSCJXGZFFX-FGZHOGPDSA-N 444.511 1.991 30 10 IDEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1547680183 DCHRWZWQQQECFO-RKVPGOIHSA-N 427.550 1.205 30 10 IDEE CCO[C@@]1(c2nnc(N(CC)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1547873384 ICDYWQPMQTZMRA-APOCOGJHSA-N 430.509 1.445 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1548275483 BSSPUBJULJZPEF-HXUWFJFHSA-N 440.548 1.924 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1554372491 PCSTWTVHGFQYQZ-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1555954196 LYCXJIVWRKIJRH-HWGJHUBPSA-N 447.499 1.957 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC(N)=O)c2)CC1 1555992060 FQFMFLDJCCBYDZ-UHFFFAOYSA-N 431.500 1.916 30 10 IDEE COc1cc2c(cc1S(=O)(=O)N1CCN(c3ccsc3C#N)CC1)C(=O)NCCC2 1561746863 ANUPDCYORPVOQT-UHFFFAOYSA-N 446.554 1.815 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1587808468 SCADJYAJGIEJSY-WQIZZMQYSA-N 437.591 1.676 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1588029644 JXMANPCWRMNVCV-MRXNPFEDSA-N 432.594 1.935 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1588030266 RWTMJOSTZKQDTM-SJORKVTESA-N 430.578 1.976 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nncn2C)CC1 1588763191 SQEPYXGNHWGORK-UHFFFAOYSA-N 428.447 1.479 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1593690011 HDKYHUFMKFMXLH-JKSUJKDBSA-N 434.541 1.877 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C 1595562332 VGEQELGWCWFQQU-UHFFFAOYSA-N 438.536 1.170 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1595577579 XKODWLZNISVRKJ-GOSISDBHSA-N 447.503 1.501 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1620303121 CLTNVHATXMPILB-CRAIPNDOSA-N 431.518 1.389 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2ccccc2F)s1 1630584869 AKGHEZDUZBENAF-QGZVFWFLSA-N 426.491 1.925 30 10 IDEE C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cc2c(cc1Br)OCCO2 1630605821 HQSCIRZJPHPYQY-VIFPVBQESA-N 435.234 1.232 30 10 IDEE C[C@H](CC(=O)N1C[C@@H](CO)Cc2cccc(F)c21)/N=C1/NS(=O)(=O)c2ccccc21 1631763887 OGPJMJYRHMMRIV-KGLIPLIRSA-N 431.489 1.841 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3nc(N(C)C)sc3C2)s1 1633582253 GKYCHYXBIBUTIT-UHFFFAOYSA-N 426.589 1.862 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ncn(C)c2Br)cc1 1636156651 CHBWFYGLDUQNIV-UHFFFAOYSA-N 425.308 1.067 30 10 IDEE CCOCCOC[C@@H](O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639941287 ILQOHSGUEULUDK-INIZCTEOSA-N 426.311 1.287 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(CCC)s2)CC1 1643372238 BZVVRAPCZXKLJX-UHFFFAOYSA-N 434.381 1.689 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1F 1645581048 IWEOXZAZDZTCGB-GFCCVEGCSA-N 435.433 1.555 30 10 IDEE C#CCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)CC(=O)OC(C)(C)C 1647116272 MDAKEFBRMWTATA-UHFFFAOYSA-N 429.517 1.052 30 10 IDEE O=C(CCn1cnc2sccc2c1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040736 ILTAOVVCTXBETG-UHFFFAOYSA-N 426.454 1.752 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c1 1664881303 ARGLLLCLAIGBTE-INIZCTEOSA-N 439.534 1.517 30 10 IDEE C#CC1(O)CN(C(=O)N[C@@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)C1 1669842916 GUFNRTUVZDHNHH-IBGZPJMESA-N 427.526 1.713 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1672022880 QHTOOSZSKQGJLJ-HJWYETAXSA-N 440.547 1.055 30 10 IDEE N#Cc1ncn(CCNC(=O)NC[C@@H](CO)Cc2cc(Br)ccc2F)n1 1682388506 FPZGTBQIAHMADX-NSHDSACASA-N 425.262 1.202 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC1CC1 1689833819 QUOYPUXDDHKCGT-AWEZNQCLSA-N 427.505 1.955 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1689936771 DALDSSARILDPSA-UHFFFAOYSA-N 438.536 1.248 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1689988165 KLCBLIBUCSABFP-MOPGFXCFSA-N 435.594 1.019 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1690022539 INZDJLMZYQEVEU-IBGZPJMESA-N 439.633 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@H]2C)CC1 1690134779 FVBOAYAWUKKTDN-AEFFLSMTSA-N 430.553 1.055 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(CC)S(C)(=O)=O)CC1 1690362481 DRXAKXSCIMELJJ-UHFFFAOYSA-N 447.565 1.753 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1690527602 QIBYBZGXWVHBHH-HNNXBMFYSA-N 440.595 1.495 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1690543699 NCZNCGTUMNOOBT-HNNXBMFYSA-N 432.525 1.678 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](COCC)C1 1690662779 DBLQGQPOXNVOKP-INIZCTEOSA-N 447.561 1.514 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CC)C[C@H]1COc2ccccc2O1 1690671289 SUWXWSBKDZKKOG-IRXDYDNUSA-N 427.505 1.751 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)C1 1690699719 IKWJEQDPHRIQDG-IAGOWNOFSA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(C)=O)CC1 1690719265 JKSKYOAMTQORGL-UHFFFAOYSA-N 447.561 1.659 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CSC 1690724881 YBFVAIJZIZNQQJ-HUUCEWRRSA-N 448.636 1.113 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1692657929 STPDGXFAFJTFLN-AWEZNQCLSA-N 434.522 1.394 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CCO1 1697890224 STYVGRCSJFZEED-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE COCC[C@@](C)(O)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1697936141 DRNDZJZWCVTUNZ-OPAMFIHVSA-N 442.568 1.740 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1698133874 GZNLZMPFCFMFLT-VKJFTORMSA-N 429.518 1.411 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705502218 DNVFRNMHNFWTOM-ZWKOTPCHSA-N 431.562 1.905 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1705559508 BPLIXDYMAGINCX-SJORKVTESA-N 445.593 1.785 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1705565281 GGICWLLAOQODIO-KRWDZBQOSA-N 432.550 1.265 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1705566197 MDKXHADDYOZMMZ-GOSISDBHSA-N 448.593 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCc2ccccc2C1 1705585159 MGERVPLWASPNEA-FQEVSTJZSA-N 430.556 1.920 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@@H](C)C1 1705588696 IUMLCGWAWZLSIF-QYZOEREBSA-N 434.610 1.472 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NCCC)CC1 1705633878 APEZUTFCFKSTSB-UHFFFAOYSA-N 448.369 1.707 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705662612 FBPUMMDSQZNWDG-UHFFFAOYSA-N 448.618 1.396 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705700047 OBXSUESCXBQARU-NSHGMRRFSA-N 444.580 1.905 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1705700742 XUCLGKWGIUBHJS-CLCXKQKWSA-N 444.536 1.805 30 10 IDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)c1ccccc1 1705742674 BWKLVEREHVITLX-QFBILLFUSA-N 444.561 1.920 30 10 IDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1705829443 QVYNIKVEOOFPSA-INIZCTEOSA-N 435.488 1.513 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1706075615 QEWXEDCYUGNXNS-CEXWTWQISA-N 431.585 1.711 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCOCCCO)n1 1707601798 UAEHTLQSBTVPIC-UHFFFAOYSA-N 448.531 1.641 30 10 IDEE CCCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1709676443 METCSLZOSXJAME-SFHVURJKSA-N 438.536 1.639 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1711085286 BQPDOYURRLBLIB-NRFANRHFSA-N 438.513 1.398 30 10 IDEE CN(CC1CCCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1711141170 FPPLWVOXRQPGIU-SFHVURJKSA-N 448.549 1.750 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1712875421 CBRHQIMQQIIVNH-BIENJYKASA-N 441.458 1.027 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1722360885 CLDZELIPCIYBPR-DYESRHJHSA-N 432.546 1.741 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722410101 QNFJXODMZUGRHD-WMZOPIPTSA-N 431.566 1.342 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](OCCOC)C1 1722487441 OKUZYDNZUIEMEH-CQSZACIVSA-N 428.331 1.551 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CS(C)(=O)=O)c1 1722631075 BZRCWYWAGLINBV-AWEZNQCLSA-N 441.579 1.103 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1722672520 SLQLKKQXGMVOJV-GOSISDBHSA-N 439.582 1.606 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@](C)(C(N)=O)C1 1722706026 LJFHKRLWNOJOEO-JOCHJYFZSA-N 426.521 1.423 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1729556416 DVBWTERLVQOLMA-WIYYLYMNSA-N 445.545 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CC1 1740553932 VQADCXJQFVWZFW-DFYVNMARSA-N 427.578 1.821 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCC1 1740555670 NIMUDWCWNYRODK-MRXNPFEDSA-N 426.546 1.942 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1740617986 ZXENCXFASHIJBI-DYESRHJHSA-N 448.545 1.507 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1740621821 ZKCJZRVUJVGCQW-IBGZPJMESA-N 445.589 1.458 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1740621935 QLQCGDOHFKJZFL-HNNXBMFYSA-N 428.518 1.807 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1740671458 HVQKCKOUHDEMIC-IEBWSBKVSA-N 445.545 1.074 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2ccc(OC)cc2)CC1 1740688691 HSWCJYUKOJQMEC-UHFFFAOYSA-N 436.560 1.911 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCSC2)CC1 1740700713 ZODUZYYHWIFNHQ-JOCHJYFZSA-N 443.573 1.489 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccs2)CC1 1740705361 GEKOFCITHRMDSP-INIZCTEOSA-N 447.586 1.256 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740706605 XXPKULPCWMWWNL-FQEVSTJZSA-N 428.581 1.478 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723341 PLYJLYCZYMCQAH-NJNPRVFISA-N 447.605 1.742 30 10 IDEE C=CCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949943 ZNCGKVDSIJCQNA-XHSDSOJGSA-N 431.541 1.791 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1740951072 PJEIQCDSYHBBNP-WMZOPIPTSA-N 429.569 1.172 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740955383 SQRHQPYWJMZLNQ-UHFFFAOYSA-N 446.577 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740956587 NVQMXVXJEFUEFL-CQSZACIVSA-N 438.941 1.309 30 10 IDEE CCn1cc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1746353618 PTBMTBIHUHJMLU-APWZRJJASA-N 428.541 1.443 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H](C)OC)CCOC1 1746728965 QCLXMLUTDNHBSK-HTAPYJJXSA-N 441.536 1.558 30 10 IDEE CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1747533798 HJPNBYQSTBRJFB-MOPGFXCFSA-N 435.532 1.736 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CC1 1748906961 KWVNHFJKAIMIKF-PMACEKPBSA-N 427.549 1.330 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)OC)CC1 1749019182 NNDUPIXXGHDSKJ-QGZVFWFLSA-N 441.532 1.866 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccc(OC)c1 1749051360 GAYONGUSIGVTIB-HSZRJFAPSA-N 438.532 1.847 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1749053722 KVKGWJUEUICCBF-HRAATJIYSA-N 430.578 1.995 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1749612505 FLWFTVAXRRAKDN-XMSQKQJNSA-N 429.521 1.990 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749664096 WUBSMVJGPFAKKA-AWEZNQCLSA-N 425.459 1.659 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1750082127 FUJNGBZFZXACTN-SFHVURJKSA-N 426.521 1.784 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC=CCC2)C1 1750209395 GEEKDERSNZENBX-QZTJIDSGSA-N 434.566 1.707 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1751097601 OLPBWVLKZHLKOU-IAGOWNOFSA-N 425.541 1.541 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1760189304 UCOIILVGGORCIA-QGZVFWFLSA-N 428.562 1.682 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760189829 WZBJVMYRYLWWNK-BMGDILEWSA-N 447.561 1.817 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H]2COCCO2)CC1 1760254746 JHINHDCTPRYYQG-LJQANCHMSA-N 441.532 1.523 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1760520279 IUPAEUNVVKETLP-UHFFFAOYSA-N 449.563 1.826 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760528480 DJGBODSLFJNQSP-XMSQKQJNSA-N 433.553 1.485 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760531846 BUGIPWFKJBCINV-NUJGCVRESA-N 449.577 1.709 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1 1760648329 DHHBGGZGFFRTQC-UHFFFAOYSA-N 449.519 1.096 30 10 IDEE CC1=CCCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762165148 HAYKQPJPNLMCBC-MRCUWXFGSA-N 436.520 1.823 30 10 IDEE CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1764808957 GZTWZGCYWWNHIU-MRXNPFEDSA-N 426.502 1.790 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1768264686 HBJYXFKQDDAZDE-APWZRJJASA-N 446.577 1.695 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1770980761 DVYMKJXHLILXDA-RTWAWAEBSA-N 430.509 1.923 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1770981501 BIOVFQGNKWIXOG-PGRDOPGGSA-N 441.536 1.163 30 10 IDEE N#Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1 1851909968 TWUPQGLHLIUPIJ-UHFFFAOYSA-N 434.905 1.770 30 10 IDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)NC1=O 1853347942 TWHFATTXXBHDPG-SNVBAGLBSA-N 433.262 1.123 30 10 IDEE Cn1ccnc(N2CCC[C@H](N(Cc3cn(Cc4ccccc4)nn3)C(=O)CC#N)C2)c1=O 1853464444 ZUKAMCLOUBBEJK-FQEVSTJZSA-N 446.515 1.331 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)cc1C 1853848045 ATSLFXYGKVYOMT-UHFFFAOYSA-N 427.482 1.939 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1 1855711861 IVPJXFBPODMALS-QAPCUYQASA-N 436.509 1.199 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1Cc2ccccc2O1 1855986927 IOERRDCSJYWBFR-LJQANCHMSA-N 425.466 1.640 30 10 IDEE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1cccc(C#N)c1 1866606175 CJVPHIWZWRMWAX-HNNXBMFYSA-N 447.495 1.863 30 10 IDEE CC(=O)NCCn1cc(OCCO)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870239539 NCMRHSBMQBRYJN-UHFFFAOYSA-N 430.530 1.840 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCO)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871657147 PQWFAHGKZOPTBY-UHFFFAOYSA-N 438.580 1.762 30 10 IDEE CN1CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](C#N)C1 1963742608 AZXKFGGHOWHZGF-ROUUACIJSA-N 430.505 1.679 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2010032332 UTBZRGLJRFFPSG-GJZGRUSLSA-N 439.509 1.826 30 10 IDEE C[C@@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N(C(=O)OC(C)(C)C)C1 2248394702 BGJFIUQKPUBJND-VXGBXAGGSA-N 438.359 1.843 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401275 HDUKTHRRMNBMEK-RISCZKNCSA-N 441.359 1.333 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248443427 YTVLGFXENLBEFH-CQSZACIVSA-N 440.371 1.939 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256067930 VIROUMFZRQIJGC-CQSZACIVSA-N 432.330 1.905 30 10 IDEE Cn1ncc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267012425 UHXPZIMNBGATJB-NXNIQBKKSA-N 446.357 1.895 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2267113122 PLMWLCRWIZKALE-ZIAGYGMSSA-N 447.345 1.053 30 10 IDEE Cn1cc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2267131928 JBUKBEFFTISLPB-HUUCEWRRSA-N 446.357 1.562 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267182539 HKXIGNZANOPDEJ-IIAWOOMASA-N 446.357 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267260673 PGTAVYQIQPQJBO-UONOGXRCSA-N 449.361 1.538 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2269835355 QFZXFGSQXUFAFG-OAHLLOKOSA-N 449.357 1.729 30 10 IDEE CC(C)OC[C@H](O)Cn1c(NN=CC=Cc2ccccc2)nc2c1c(O)nc(=O)n2C 2297551179 XUOAWTHXVZNDPI-MRXNPFEDSA-N 426.477 1.733 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300304314 NEJQSIGNDOEHFC-OLZOCXBDSA-N 439.343 1.152 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2301724266 BKHQXVVVSDVPFW-GFCCVEGCSA-N 441.359 1.712 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315534701 QFQUGZRCCGLDNR-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1C(F)(F)F 20840311 VWIZGZIZGHTCCD-UHFFFAOYSA-N 439.470 1.643 30 10 IDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1cccc([N+](=O)[O-])c1)n2Cc1ccc(F)cc1 34377844 YXYCVAVTMYOWAF-LSHDLFTRSA-N 437.391 1.965 30 10 IDEE C#CCn1c(=NC(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(C(=O)OC)ccc21 254521939 BSSAQLZMNFPGHX-UHFFFAOYSA-N 433.445 1.846 30 10 IDEE C=CCNc1ncc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)s1 432916587 YAKFWELEDJWVTD-UHFFFAOYSA-N 428.561 1.753 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2C#N)c1=O 440373978 JQMNCNLPWCUMFA-UHFFFAOYSA-N 446.488 1.034 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 441219298 WUSVGLBMAGDGEM-WOJBJXKFSA-N 446.573 1.140 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478759990 ZIQSDKYLVLSVOR-QGZVFWFLSA-N 443.573 1.141 30 10 IDEE CC(C)(C)c1noc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 501952706 VMTDSLGIUSGDJE-UHFFFAOYSA-N 433.490 1.151 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 506090645 NDICLCOBYLEGEV-UHFFFAOYSA-N 428.518 1.235 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@@H]1CCCO1 512720664 NHHCHZDADDKCLC-KRWDZBQOSA-N 428.558 1.814 30 10 IDEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544835591 UQSXKHQOSQSMAY-UHFFFAOYSA-N 427.530 1.945 30 10 IDEE COc1ccc(NC(=O)CSCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546875522 BBKIOILFIAHGNQ-UHFFFAOYSA-N 425.514 1.982 30 10 IDEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 558003374 FVLDTNGXHHZZHB-UHFFFAOYSA-N 427.549 1.354 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 559639378 AKNPMUJZNOIQEC-GOSISDBHSA-N 425.554 1.754 30 10 IDEE COCc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)s1 586300317 UMKGANKEZUEMRE-MUUNZHRXSA-N 439.544 1.432 30 10 IDEE COc1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)ccc1C#N 589474516 BDTIGARXJCRPGC-SFHVURJKSA-N 429.498 1.954 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@H]1CCCO1 603799636 QXQLJWGPPJBBKN-CYBMUJFWSA-N 447.919 1.663 30 10 IDEE COc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1OCC(=O)NC1CC1 609257204 ZDCVVUDMBHHYSM-UHFFFAOYSA-N 440.431 1.618 30 10 IDEE C#CCN(C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)[C@@H]1CCS(=O)(=O)C1 729332612 RBKKWJHTGBPKML-CQSZACIVSA-N 444.513 1.047 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)nc1 730895195 HNZUPFKDBGZTLY-JYRVWZFOSA-N 440.481 1.255 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCN1C1CC1 737199973 YFXXMKREOFPDIE-MOPGFXCFSA-N 440.504 1.124 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(F)ccc1N1CCCCC1 737304900 DCKILKQUBKJFDC-VHEBQXMUSA-N 429.452 1.397 30 10 IDEE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 741060577 MUCNYUALYFHBKY-LVHCJKAXSA-N 442.563 1.398 30 10 IDEE C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760552890 SIRVOYKOIRFQJF-NRFANRHFSA-N 435.444 1.408 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(Cc3ccccc3)c2=O)c1 763437433 WBIUQDWPNPRXHP-UHFFFAOYSA-N 441.516 1.833 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(c3nccc(OC)n3)CC2)CCCN1C(=O)OC(C)(C)C 764441857 MVAVTJWLPQOVJL-QFIPXVFZSA-N 429.521 1.927 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 771243419 POJOEUGZMJGZNU-HSZRJFAPSA-N 448.483 1.078 30 10 IDEE C#CCN(C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)[C@@H]1CCS(=O)(=O)C1 774188046 RQNSMHOBFFZMFN-LJQANCHMSA-N 447.557 1.061 30 10 IDEE C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1 780205654 OQXBPDULDDZKIE-VGOFRKELSA-N 437.496 1.672 30 10 IDEE C=CCOCCNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 780813108 FORVNDMMKFATOF-ZDUSSCGKSA-N 447.351 1.839 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)n1 790105793 ZKJVBKLWTNSTBU-UZUQRXQVSA-N 443.548 1.628 30 10 IDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 800786520 FFBSRGCJXZXCOH-UHFFFAOYSA-N 437.504 1.569 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 801264350 NMDAUWIBCBOFPI-IRXDYDNUSA-N 433.530 1.346 30 10 IDEE C#CCN(C(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 807551539 VKFLJPONAJGWPE-JXFKEZNVSA-N 443.566 1.234 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)cc1OC 1083969976 MLGWAVPVFAQPSA-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE O=C(CSc1n[nH]c(NN=Cc2cccc(O)c2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084397772 AEUHUSNNXNDCMT-UHFFFAOYSA-N 437.441 1.571 30 10 IDEE C#CCN(C)CCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1141581005 PYMKSZVEPHMJEG-JOCHJYFZSA-N 439.553 1.406 30 10 IDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(c2ccc(C#N)cc2)CC1 1162121830 PZVYWSISWATCOS-UHFFFAOYSA-N 428.470 1.935 30 10 IDEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 1264633902 FFFKWHZLTZYPCC-LTXLMFNASA-N 444.517 1.673 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)CCS(=O)(=O)c2cccc(Br)c2)C1=O 1270494138 VZBKCKXDBHNPMU-OAHLLOKOSA-N 429.336 1.858 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2CCOCC2)c1 1286309045 NWKXBDACPKGRCT-UHFFFAOYSA-N 438.532 1.899 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCN(CC)CC1 1286369120 DABAPKJUEAIOQX-SFHVURJKSA-N 448.575 1.937 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1286389686 OPIVMINUXGLZHR-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncccc1N(C)C 1286440871 MLYPOMVRRFHBAT-UHFFFAOYSA-N 428.504 1.890 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286538034 LITDNMSCHSJDBO-VHDGCEQUSA-N 439.358 1.295 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(N)=O)c1 1286565049 YOUXISNCXFUUQU-UHFFFAOYSA-N 426.521 1.829 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2-n2cccn2)CC1 1286638321 YPZZPMOYFOHQJR-INIZCTEOSA-N 442.549 1.674 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286651627 HNHBVCRRFWKOPY-HOCLYGCPSA-N 445.611 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1286816542 GBRDDYADVHLEDM-UHFFFAOYSA-N 437.541 1.657 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1287114556 VYLHUUPUZYYTSW-UHFFFAOYSA-N 434.508 1.198 30 10 IDEE COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1288227830 ZVELHBFVGPFOKK-HRAATJIYSA-N 434.924 1.370 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1288520450 UJSUYNMOVMGMOK-ZIAGYGMSSA-N 449.537 1.026 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1289000465 ZWCLBVISSSLPAX-RHSMWYFYSA-N 428.468 1.640 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1nccnc1C 1297287954 NDRLYXQJUYAIGJ-UHFFFAOYSA-N 433.520 1.749 30 10 IDEE CC[S@@](=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297812760 FXXWJHZVABUOKG-SFNQZPIRSA-N 433.607 1.579 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1298283314 CDOXCUTZZKVXAK-RBUKOAKNSA-N 444.561 1.572 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)c1 1299950503 AYRZYTUMWMSUMC-FZEVHQGJSA-N 445.545 1.992 30 10 IDEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cnnn2)cc1 1300119116 NKBFDXDSONSDON-FQEVSTJZSA-N 425.472 1.591 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN(C(C)=O)C1 1300323288 YGJGIEKBDOQXPH-NVXWUHKLSA-N 428.562 1.986 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1300411734 WKTZLGJEOCZXNB-DLBZAZTESA-N 430.530 1.870 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(N)=O)c1 1300505745 HVHZCBVFPGDOHE-UHFFFAOYSA-N 427.468 1.340 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1300556142 CRPACDZMRPWAOB-HNNXBMFYSA-N 433.509 1.547 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1300579674 YFXTZYQXDVOATQ-SFHVURJKSA-N 449.577 1.033 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)N2CCCCC2)CC1 1300680727 CYTHXSYSQJQDIB-FQEVSTJZSA-N 427.597 1.534 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1300706704 RFRVMYJQGZTCKM-SFHVURJKSA-N 440.523 1.762 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1300731037 LAHWGJIHZFDRRI-UHFFFAOYSA-N 448.531 1.614 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301489672 ADRXACAXZCHZLL-PBHICJAKSA-N 428.924 1.863 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1302053123 PWIGPIHSJMCLHG-UZLBHIALSA-N 434.541 1.414 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cnc2ccccc21 1302100031 WOMWHJQKJVPQGY-IRXDYDNUSA-N 425.493 1.781 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1305789290 DGRDDMPSYLXQPW-SFHVURJKSA-N 445.568 1.718 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1314983950 ATHGCYLHUNXVQZ-OPAMFIHVSA-N 442.520 1.794 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)Br 1316097795 ICIJVMAAOGYUMQ-UHFFFAOYSA-N 435.273 1.868 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1316154857 AYNTYGLWFDNOPU-KSFYIVLOSA-N 426.521 1.988 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1316529833 HOKDFTBOBMDGTF-IAGOWNOFSA-N 442.545 1.343 30 10 IDEE COC(=O)c1ccn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)n1 1358084974 UCVDKKOFLFFPGB-NKFKGCMQSA-N 447.517 1.901 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1358890416 PAIVHYVINCRSPS-QFBILLFUSA-N 447.561 1.320 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1358969782 WSDHCQMVTCSATB-ROUUACIJSA-N 440.573 1.412 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCOCC)CC1 1359034053 APDOYOUXSVHTBY-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1359064463 SYWNOGJVDUJDMM-FXAWDEMLSA-N 433.582 1.784 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)NC 1359256183 XQRSRGHHWPGRGJ-UHFFFAOYSA-N 439.545 1.897 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359294494 VFZXRXTXUCWNEW-MRXNPFEDSA-N 440.504 1.076 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCNC(=O)c1cccc(O)c1 1360162812 UAJQUNSJQJJFKS-OAHLLOKOSA-N 427.509 1.680 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)CCOC1 1360339386 TVFRLACNYJQADG-GBESFXJTSA-N 425.530 1.629 30 10 IDEE Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cnn1CC(C)C 1360953364 RKIVLISJJMTCRN-LSDHHAIUSA-N 436.586 1.693 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)OCC 1449702568 XMBCALXHBSPSAV-ZUKORNFRSA-N 427.501 1.804 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1469219699 FFWPFHHAVIRHDI-VKZRIFJHSA-N 434.518 1.208 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1470618487 PSSDIYWLSPZMTR-DEOSSOPVSA-N 447.495 1.965 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1474834487 CXTVZQSGNWTBGV-UHFFFAOYSA-N 435.571 1.964 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1475717504 TZIMQLDUTXLEFH-UHFFFAOYSA-N 443.363 1.883 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)Nc3nc4cc(Br)ccn4n3)CC2)c1C#N 1476615642 HSICWNCKLVTIFD-UHFFFAOYSA-N 444.297 1.760 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 1503372503 QARCANAFRJCLHW-UHFFFAOYSA-N 448.506 1.689 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1503398649 BIKGFZHHFALMII-AVRDEDQJSA-N 441.511 1.660 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCN1CCCO 1505069765 JKFGYTPUIOHMQY-ZCNNSNEGSA-N 446.596 1.979 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1505135722 YDJSSGCHNRQYGR-UHFFFAOYSA-N 428.518 1.618 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1505321898 FZQLIXPRAHXWDH-CABCVRRESA-N 436.925 1.690 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO 1507512975 HGVOVNWSCMYANS-RXVVDRJESA-N 438.576 1.879 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCC1 1507543444 PSKCLVMWEXBJRP-CQSZACIVSA-N 435.575 1.695 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507556814 DKRKTLFSOSNNPF-QGZVFWFLSA-N 443.529 1.793 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCCCC1=O 1507641439 FUUMHDOTBDINKN-HSZRJFAPSA-N 427.549 1.796 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(=O)N(C)C2CCCCC2)CC1 1507724082 GDSSOYQZBUZOSS-UHFFFAOYSA-N 435.576 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1507738600 RXXMRPWNPLSNIG-AUSIDOKSSA-N 439.564 1.992 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507750914 HLJHJWYWNFLGHA-CVEARBPZSA-N 444.565 1.070 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507831586 ALXYUGUQVXDHLV-RBUKOAKNSA-N 436.626 1.361 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1508084278 LBLAGBTUUIIPFD-UHFFFAOYSA-N 445.527 1.728 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(N)=O)cc2)C1 1508124846 CIDRSICSIVYGDB-UFYCRDLUSA-N 441.532 1.931 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1509846557 FOUOYWQJCQGRSG-SGRLSNSRSA-N 444.536 1.387 30 10 IDEE CC(C)CNC(=O)C1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC1 1516394501 PESRXJHEBNTLMG-SFHVURJKSA-N 439.516 1.964 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C[C@@H]1C 1517711403 UZTWDHPGFLFWEP-INIZCTEOSA-N 435.492 1.775 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCc2ccccc2)CCO1 1521122257 VBLVBUGXASFHJK-SFHVURJKSA-N 433.472 1.871 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)cc(OC)c1OC 1521186458 YLEIZTINLRLRMI-CZUORRHYSA-N 427.461 1.570 30 10 IDEE C[C@@H](C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1538498067 SIULIGRTHDVKHJ-CQDKDKBSSA-N 438.385 1.913 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2snnc2C)c1 1539039795 IDNNECKLTHQJPW-UHFFFAOYSA-N 445.512 2.000 30 10 IDEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(S(C)(=O)=O)CC1 1539139699 MLHAZWATZFYFBO-UHFFFAOYSA-N 447.561 1.751 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1539239914 SVZDBCHPJXMWHI-QGZVFWFLSA-N 439.491 1.912 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@@H]2C)CC1 1539487834 ADROHQBLQIDBHD-HKUYNNGSSA-N 426.565 1.803 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539636199 JTFJTTNJHQCGRQ-PKOBYXMFSA-N 430.553 1.093 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1539803142 FKWVNKHXLDJKHP-CABCVRRESA-N 429.974 1.626 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4n(c3C#N)CCOC4)c2)C[C@@H](C)O1 1539995367 ADQKZNRGCJZMEM-OKILXGFUSA-N 445.501 1.335 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCN(CC)CC1 1540070971 BRFYQRKMRVWMQU-SFHVURJKSA-N 440.614 1.355 30 10 IDEE Cn1nc2c(c1C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)CS(=O)(=O)CC2 1540149510 PWCYZEKCMAIBLT-UHFFFAOYSA-N 433.921 1.378 30 10 IDEE N#Cc1c(CCCNC(=O)c2ccc3c(c2)C(=O)NCCO3)nn(-c2ccc(F)cc2)c1N 1540746639 CMIQRNYMAOXGOI-UHFFFAOYSA-N 448.458 1.950 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540869143 CVRDKCZPIUJZBE-GJZGRUSLSA-N 447.540 1.025 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)C1 1541569046 GMJMXBWHYBESSB-OALUTQOASA-N 429.569 1.716 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1541720469 CRXPTMJTRPJFFG-VXKWHMMOSA-N 432.569 1.515 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CCC2)CCOC1 1541732661 FTUHYZNWWBCLSM-KCUDFXNMSA-N 437.566 1.349 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1554527238 FJBRVZMYBNYZJN-GOSISDBHSA-N 425.489 1.748 30 10 IDEE CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N 1556540476 AVNUSEXRZYLCBP-WFASDCNBSA-N 444.351 1.924 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nnn(Cc3ccncc3)c2C)s1 1556753411 BWUITROHKUFHAG-UHFFFAOYSA-N 432.531 1.737 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](n4cc(CO)nn4)C3)C2)C1 1556806976 VTAYOCWNEUBAFR-IBQBPIARSA-N 444.536 1.721 30 10 IDEE CCOC(=O)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1 1557053876 BTPNPDVPJKIUPZ-QGZVFWFLSA-N 444.513 1.711 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCCC)c(C(C)C)c2)CC1 1561868829 IKFQPGBHOIQBQW-UHFFFAOYSA-N 443.591 1.373 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2nc3ncccn3n2)CC1 1585533871 FJZPXQZBOKDFQK-OAHLLOKOSA-N 426.278 1.909 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588069097 HHSMKJYTBVNQFZ-INIZCTEOSA-N 449.602 1.942 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2nccn2C1 1588098991 FQMZPBFMANYFLA-SFHVURJKSA-N 448.552 1.881 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1588238077 KACLRFUBAWQBJK-UHFFFAOYSA-N 431.537 1.799 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1588280179 HWMIZYHNDHRCMD-UHFFFAOYSA-N 449.602 1.792 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588646792 NHRMTSMKPRANML-JKSUJKDBSA-N 431.459 1.131 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588752423 SDWCTHUQDMKSBF-PXNSSMCTSA-N 439.507 1.498 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1589216817 YAQWZPXKJRABGT-XMSQKQJNSA-N 447.605 1.965 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(N)=O)CC1 1589482193 HGFWLFPPTZAUCI-WMZOPIPTSA-N 432.569 1.879 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1589483820 QUPDWUQNFCWWMZ-NEWSRXKRSA-N 430.553 1.552 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1589559357 QJWDHAJGZBVAQH-UGKGYDQZSA-N 440.548 1.540 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1595283560 SNIHQMKBKKJGED-LJQANCHMSA-N 440.953 1.787 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1595577441 RYOHFYHPAAGILR-SFHVURJKSA-N 426.521 1.573 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)C)C1 1595688503 KOIHDPYBFKNFJZ-MRXNPFEDSA-N 433.534 1.218 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1596723299 XPZBJPXZLOINQY-IBGZPJMESA-N 438.536 1.639 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1Cc1ccc(C#N)o1 1603683021 MAPFVQZSKYUDCC-UHFFFAOYSA-N 434.504 1.810 30 10 IDEE CCc1nnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)s1 1613904997 DQSACYOTPGDQRX-SCLBCKFNSA-N 435.579 1.772 30 10 IDEE CCNC(=O)c1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)c1 1615933484 DSOBFJQMFVLCCN-HXUWFJFHSA-N 448.531 1.667 30 10 IDEE O=C(Cn1ncn2nccc2c1=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132830 ZJVYOMYPBZQKEC-HTQZYQBOSA-N 445.270 1.520 30 10 IDEE CN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C#N)o2)CC1=O 1618476784 SGCYIGZUHLXTGV-UHFFFAOYSA-N 444.293 1.837 30 10 IDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1618970676 GWAQYDDRLSEDAD-HYVNUMGLSA-N 434.522 1.005 30 10 IDEE N#Cc1cccc(COc2ccc(NC(=O)N3CCN(CC(N)=O)C(=O)C3)cc2Cl)c1 1623028278 BEVWMFSIOANPGC-UHFFFAOYSA-N 441.875 1.952 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21)c1cc[nH]n1 1632876331 HZLVHRDWTQDSNE-IAOVAPTHSA-N 447.289 1.911 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)c(F)c1 1640237713 IGYOZEOOHWHBSJ-IBGZPJMESA-N 445.451 1.754 30 10 IDEE Cc1ccc(C(=O)Nc2n[nH]cc2I)cc1S(=O)(=O)NCC#N 1641907939 DXEXGWDRFUVUKS-UHFFFAOYSA-N 445.242 1.377 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)nc1 1643752928 MQPWIDICHXLRIJ-HNNXBMFYSA-N 438.431 1.837 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCO[C@@]4(CCS(=O)(=O)C4)C3)c2C#N)C1 1646421149 WYSGPWDGFSZQIN-XOBRGWDASA-N 437.587 1.963 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CN2CCOCC2)cn1 1648697531 ZPNHTPVYEUDWBH-OAHLLOKOSA-N 429.502 1.091 30 10 IDEE COC(=O)c1cnc(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1653079900 REOFZKDXHHZELR-NSHDSACASA-N 436.515 1.106 30 10 IDEE CN(CCc1cccc(C#N)c1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1654568963 ZPWRFZKSRVZWEI-UHFFFAOYSA-N 442.541 1.692 30 10 IDEE CCOC(=O)C1=C(CN2CCN(C(=O)CC#N)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 1658693750 NAEPWFHUWHYOJU-LJQANCHMSA-N 445.907 1.569 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 1667591051 GZAAIZIEKIRPIC-UHFFFAOYSA-N 430.461 1.235 30 10 IDEE C#CCOc1ccc(CNC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 1669083131 WIMCZXCRVPLUGH-IAGOWNOFSA-N 425.489 1.853 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)N[C@H]4CCCS(=O)(=O)C4)CC3)n[nH]2)cc1 1671054747 CXTFQTDYOVOZME-KRWDZBQOSA-N 428.518 1.357 30 10 IDEE C#C[C@@H](NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1673330295 OFKPBZAOGPZQNK-OAHLLOKOSA-N 442.273 1.891 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1676688147 KRTUQNMHOKDOAA-UHFFFAOYSA-N 446.548 1.760 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1680699949 JSQHEBFXSQESQJ-ZACQAIPSSA-N 445.582 1.691 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689992596 MRIGBFVKTSWJBR-KRWDZBQOSA-N 442.570 1.590 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690022534 IIQCVZRXYLJCJP-UHFFFAOYSA-N 449.536 1.819 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1690047710 XJSGZDSFLHZCLE-LWYYNNOASA-N 445.589 1.510 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@]2(O)CCO[C@@H]2C)n1 1690109324 NONBAZFKEGQFJR-VGOFRKELSA-N 428.537 1.568 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2([S@@](C)=O)CC2)CC1 1690117813 WRULDQILAAYCEB-WJOKGBTCSA-N 443.573 1.629 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(C)COCCO1 1691871568 VGWJYXTZCWKAAO-KKSFZXQISA-N 426.525 1.584 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1692742695 JZKLINJHYQMVBC-CRAIPNDOSA-N 433.534 1.492 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694116768 XFAPHIIUXLGGLC-PFANNTFUSA-N 445.524 1.595 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696830471 PDMGKNGOEPFTMV-QFPXGYFVSA-N 432.525 1.560 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C[C@H]1OC 1698289155 CGPQKQRXAFUEGP-FFZOFVMBSA-N 426.521 1.387 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705482214 UZAJQYNSAOBROL-WFASDCNBSA-N 432.431 1.993 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705507497 CYNGDMGXOQEVRO-KRWDZBQOSA-N 436.582 1.083 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1705567744 YVRWNDUWMDJTSN-RTBURBONSA-N 437.610 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCn2ccnc2C)CC1 1705649603 BIDKZMHRBIBVMI-UHFFFAOYSA-N 446.559 1.825 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccn(C)n2)CC1 1705649817 FYVPSUFFQLQBKX-UHFFFAOYSA-N 432.532 1.206 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)C)CC1 1705907542 PSDWBTWVSBNDOU-UHFFFAOYSA-N 426.565 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1705931803 AYRWUTOKEOEPNF-GXTWGEPZSA-N 446.455 1.492 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1C 1707542648 HUULVDSRUOGTDW-FCHUYYIVSA-N 428.512 1.983 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](OC)C(F)(F)F 1712647706 HNWFJTSVSNKTEN-AJNGGQMLSA-N 433.431 1.698 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1722359649 VLPGWWTULCGDSJ-FJIDUMEYSA-N 433.578 1.479 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)F 1722376355 MUPLFVPGNACRJX-UHFFFAOYSA-N 425.237 1.490 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN(C)C 1722379768 XXCHLWMFXLWIJH-UHFFFAOYSA-N 441.605 1.899 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNC(=O)OC(C)(C)C)CC1 1722449714 OOORBCCJMQJWJV-UHFFFAOYSA-N 430.553 1.721 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722462484 NHCVTPVMMKTZST-KRWDZBQOSA-N 434.612 1.924 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1722527598 OVVTVECKJYBWDQ-UHFFFAOYSA-N 431.541 1.628 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1729202373 IXPWDYOVUXOHNX-SFHVURJKSA-N 439.545 1.979 30 10 IDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1729985857 IAFCBFGBNWIGIN-QVKFZJNVSA-N 444.467 1.099 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740572119 ZWCSJVSLPJDZDV-IHPCNDPISA-N 441.580 1.022 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1740620172 BWBVFLMFUJPQOA-SFNQZPIRSA-N 447.586 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740989426 MQSYVOSKTVALIE-CSODHUTKSA-N 447.561 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)CC(C)(C)C1 1740991880 HLLCKWLIHSSZOA-HZPDHXFCSA-N 444.623 1.653 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1741714242 PYSIGFDVFWHTIS-TXPKVOOTSA-N 425.555 1.492 30 10 IDEE CCc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744648631 ZEEHUYZZKGEHJV-PANRORFQSA-N 440.479 1.604 30 10 IDEE CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1745929061 YHLUQXATRFWOBS-HTXNQAPBSA-N 436.476 1.441 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1748106497 OQYPUMVBPCZIGL-GOSISDBHSA-N 439.564 1.747 30 10 IDEE COC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1748337583 FCERTXPZUMLAKY-UHFFFAOYSA-N 437.504 1.621 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)[C@@H](C)CC 1748672348 SIRLOFPILLADHL-QAETUUGQSA-N 427.571 1.130 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1748684938 REHUOTUENYPTPI-QKKBWIMNSA-N 426.546 1.738 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@](C)(O)CCOC)CC1 1749009433 ALVDZWPSVZFFOF-HSZRJFAPSA-N 443.523 1.838 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NC2CCCCC2)CC1 1749286950 VURGVGLPXWPNFF-INIZCTEOSA-N 438.598 1.884 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOCC)CC1 1760147497 TYHKSVLAPJIDCE-UHFFFAOYSA-N 445.589 1.921 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1c(C)cccc1C 1760194345 GTIIQIMIUBYTRF-GOSISDBHSA-N 429.546 1.657 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccc(C(F)F)n2)CC1 1760257182 QNSZNHWAOPPOKC-OAQYLSRUSA-N 447.490 1.461 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1760281194 LRGZRRZTVWNRIE-INIZCTEOSA-N 439.563 1.207 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760513944 KYPLMSQNMNALQN-IRXDYDNUSA-N 434.541 1.877 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCS(=O)(=O)CC 1760518227 NAQAZNPPXWLNLX-UHFFFAOYSA-N 443.932 1.911 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@H](CN2CCOCC2)C1 1760548852 RDLOIKHGNAEBAT-ZWKOTPCHSA-N 425.599 1.551 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1763742824 VHEWWPCVFHUEMN-NZSAHSFTSA-N 425.537 1.925 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764694416 WUKKRYPZPIYUNM-UHFFFAOYSA-N 432.488 1.277 30 10 IDEE CCN(CC)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1766550675 CFIOFXZZYAYAFQ-MRXNPFEDSA-N 440.508 1.303 30 10 IDEE CN(C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1766925671 DGOSFGIEGLWBQP-RTBURBONSA-N 444.561 1.019 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1769094364 FTCVCLFISLRSMO-GOSISDBHSA-N 426.521 1.831 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(SC)CCOCC1 1771304846 LTPLGPVEZKAFLV-BBWFWOEESA-N 437.566 1.643 30 10 IDEE CS(=O)(=O)CCN(c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1771354954 CBTLVKAFRWTIJQ-ZPHPHTNESA-N 448.549 1.085 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCN(c3nnc(Br)s3)CC1)OCO2 1851718281 VJCYNEAGIIMQBY-UHFFFAOYSA-N 436.291 1.792 30 10 IDEE Cn1ccnc(N2CCC[C@H](N(Cc3ccc(F)cc3)C(=O)c3cnc(C#N)nc3)C2)c1=O 1853489090 LCCPLVLNVHTCPJ-IBGZPJMESA-N 447.474 1.892 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(S(=O)(=O)C(C)C)CC3)C2=O)cc1C#N 1854634844 RTXYJSBJSIEILZ-LJQANCHMSA-N 432.546 1.354 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 1867844354 ANWPDBRIHDSUFR-CVEARBPZSA-N 441.400 1.592 30 10 IDEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCOCC1 1870375759 KOYHRANGCPAAHG-UHFFFAOYSA-N 437.496 1.932 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN1CCN(C)CC1 1870652062 QNAUWHVPKWYWRX-UHFFFAOYSA-N 426.517 1.808 30 10 IDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccncc1 1874210159 MOQCUHGBWAOHAT-PKOLSWDWSA-N 435.513 1.649 30 10 IDEE CNC(=O)c1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)ccn1 1889565084 JIMNVUMJWNVRLK-UHFFFAOYSA-N 441.576 1.092 30 10 IDEE CCOc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)nn1 1890123370 RBGCZHHFTODPRZ-UHFFFAOYSA-N 429.565 1.526 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 1891002241 IOSMNWMELSDVPL-UHFFFAOYSA-N 428.533 1.786 30 10 IDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1 1892108996 SRTXROPOMFQQCG-AWEZNQCLSA-N 432.458 1.376 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1991985025 BMYYWDSJDHYAQW-GJZGRUSLSA-N 425.526 1.944 30 10 IDEE CN1C[C@@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)N(C(=O)OC(C)(C)C)CC1=O 2124534937 VEFIPAHREYJDKA-QSJFSLAZSA-N 449.357 1.615 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243390469 WCPSVOAOAXJTMG-NSHDSACASA-N 427.332 1.058 30 10 IDEE COCC1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255659823 XZDOXZPKHHFOOX-UHFFFAOYSA-N 436.318 1.075 30 10 IDEE CC1(C)OB(c2ccccc2CS(=O)(=O)NCC(=O)NCc2ccccc2)OC1(C)C 2255942676 OSWHTFAWOKZJCW-UHFFFAOYSA-N 444.362 1.722 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C 2259057356 NAEYOZIMRHYDCC-ABAIWWIYSA-N 439.328 1.763 30 10 IDEE CN1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CNC(=O)C(F)(F)F)C1 2267011547 HKTICANMLUFMRJ-CYBMUJFWSA-N 445.247 1.014 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267542826 XQZMYBVCIZSIRO-AGGWBTHJSA-N 447.345 1.052 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269028766 AMDMHNNQLUDAKG-QGZVFWFLSA-N 442.325 1.034 30 10 IDEE Cn1cc(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2312856247 YVUQEACIZVHZAM-YUELXQCFSA-N 432.330 1.457 30 10 IDEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331571181 YWUSODBTJOPSDB-UHFFFAOYSA-N 446.445 1.922 30 10 IDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1cccc(F)c1 20527373 WFSRMNIMCDCYSJ-DNTJNYDQSA-N 446.424 1.922 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc(OC)c1OC 110567822 TTXRQBHICYGADV-HNNXBMFYSA-N 444.488 1.990 30 10 IDEE N#Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1F 427135872 GNNNBLDAPVZIGF-UHFFFAOYSA-N 441.462 1.225 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CC1 437919954 PAGZNYSBRACIOH-UHFFFAOYSA-N 427.427 1.430 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1c(C#N)cnn1-c1ccccc1 441194208 FBEROAHKELCRCE-FPAYPSAMSA-N 437.456 1.107 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)CC1 443342690 LHLPDNOZFTVZCJ-UHFFFAOYSA-N 447.561 1.007 30 10 IDEE CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 478835962 BIMZTWTXNDWYLT-INIZCTEOSA-N 434.521 1.614 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(Cc3nc(C)no3)CC2)c(C#N)cn1CCOC 481484887 XKMXUZHSQGBYMZ-UHFFFAOYSA-N 445.480 1.224 30 10 IDEE C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(c3oc(-c4ccco4)nc3C#N)CC1)CS2 481821728 CGYCXCJGJQIFQE-XOBRGWDASA-N 427.486 1.909 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@H](C#N)c3ccc(F)cc3)CC2)c1 508830416 WMBLBHRPLIKGRI-FQEVSTJZSA-N 430.505 1.967 30 10 IDEE Cc1noc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)n1 540554336 TVSVTDQSPZSMCM-FQEVSTJZSA-N 441.511 1.044 30 10 IDEE Cc1nc(CN2CCC(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)oc1C 586860682 NILQLYFXIMOAPE-UHFFFAOYSA-N 427.480 1.947 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCCO1 603798113 IQBYVYNOTHGCCU-HNNXBMFYSA-N 429.929 1.524 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCc2ccc(O)cc2)CC1 609828555 MYBDSCIWWTYYID-UHFFFAOYSA-N 428.514 1.913 30 10 IDEE COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 611643315 ASSHPCGOAAEDFA-KRWDZBQOSA-N 442.497 1.938 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)CC1 619510184 YCJNLDGMWAZFEE-FQEVSTJZSA-N 445.589 1.424 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669818162 QBFOWETXYHIWGV-UHFFFAOYSA-N 436.538 1.077 30 10 IDEE C#CCN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 729334025 GPEVXMOUYUJFFW-HZPDHXFCSA-N 439.331 1.451 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742110867 NQPQPIWUSUCLRK-KRWDZBQOSA-N 429.498 1.578 30 10 IDEE CCN1CCN(Cc2ccc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 747494579 AYHZJUYZCLZITO-UHFFFAOYSA-N 435.528 1.959 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCN2S(C)(=O)=O)C1=O 753753330 PBIRVEXIFJPIOT-HUUCEWRRSA-N 442.538 1.317 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758060210 UXPCLBVUICSLDT-AWEZNQCLSA-N 438.505 1.441 30 10 IDEE CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c(F)c1 780216158 YINHQZNZEIFZIQ-QFIPXVFZSA-N 439.443 1.825 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)OC[C@@H](C#N)Cc3ccccc3Br)cnc21 786640220 OZPMYZKQHJMFTC-GFCCVEGCSA-N 430.262 1.818 30 10 IDEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 799798567 PECAAFWBKKRGDC-UHFFFAOYSA-N 435.550 1.805 30 10 IDEE C#CCN(C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)[C@H]1CCS(=O)(=O)C1 800746450 VKSWDRIAQWGUSY-IINYFYTJSA-N 431.283 1.854 30 10 IDEE C=CCn1c(-c2cnccn2)nn(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1=S 802746139 DUGMLCXKZHCJBC-UHFFFAOYSA-N 435.579 1.514 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 809894000 WUNQLPYLFPVOTP-IAGOWNOFSA-N 446.552 1.974 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 814145896 RDAVYHARQLTMNU-QHCPKHFHSA-N 435.484 1.687 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)cc1 1084008921 IRGPORLGXQEWNW-UHFFFAOYSA-N 449.493 1.768 30 10 IDEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)NCc3nnc(CC)o3)n[nH]2)c1C 1084263196 KFRPRVDWSNYTMT-UHFFFAOYSA-N 444.525 1.604 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 1158633770 VBJGTQHVTUPOCG-FVQBIDKESA-N 436.534 1.645 30 10 IDEE C#CCN1CCN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1170249399 UFUCLCOMYKUVHW-HSZRJFAPSA-N 433.508 1.663 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCNC3=O)cc2)cc1 1171693716 BOEXAPDFSCSHOQ-UHFFFAOYSA-N 428.514 1.606 30 10 IDEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1178207725 KRLHFACRXMTXFH-UHFFFAOYSA-N 437.871 1.851 30 10 IDEE C=CCN(C(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1210257358 UQPLDZXNYZLKHZ-AWEZNQCLSA-N 439.538 1.882 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286334889 BYGGLLXODFDAPT-UHFFFAOYSA-N 434.544 1.819 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1286413102 HMPHKCIABYDYDO-LJQANCHMSA-N 445.564 1.864 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1286422627 NFVQAZHMTOEHHT-KNQAVFIVSA-N 448.589 1.606 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1286479265 LEPIQDDIRLHOBO-PMACEKPBSA-N 439.539 1.426 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CSCCS2)CC1 1286485536 PCMUWRRAAYRHHA-KSZLIROESA-N 437.635 1.606 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCOC2)CC1 1286488785 UDPPIRXGWFILTL-WZONZLPQSA-N 445.564 1.323 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1286557685 JWNXABUJYZZUJH-XMSQKQJNSA-N 440.548 1.540 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C(C)=O)CC2)CC1 1286652741 JZKYLVHZTLJMQY-UHFFFAOYSA-N 429.569 1.081 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286821337 HVSTXEDYBOCLFC-UHFFFAOYSA-N 431.562 1.465 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1COCCO1 1287033863 YPSGOYPXYFYGTA-SFHVURJKSA-N 425.537 1.875 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H]2C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1288138265 WBIGZIVRZOVRKC-MXLIYFDZSA-N 441.536 1.712 30 10 IDEE CC(C)OCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1288376751 SHDQNLAVBJDXQO-LJQANCHMSA-N 429.569 1.782 30 10 IDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1289031878 WJPSLRBYUAPCFQ-VZCXRCSSSA-N 447.499 1.958 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(N(C)C)Cc3ccccc3C2)s1 1293924414 IWWOMLXQZQJZIK-UHFFFAOYSA-N 433.599 1.970 30 10 IDEE CCCN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1294548743 RVDIFSDYLJKISP-SFHVURJKSA-N 448.549 1.750 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300498938 OETASYWXDGGWOD-LJQANCHMSA-N 447.580 1.975 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300501952 ONTCGZIWRAZEKW-WMLDXEAASA-N 436.607 1.211 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(=O)OC)CC1 1300528009 NYCNRAUIPKAXEA-UHFFFAOYSA-N 438.488 1.557 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1300555243 VRSRKBUOLCLCOL-JOCHJYFZSA-N 441.919 1.476 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OC)CC1 1300719879 UEABVCNJJXEZFR-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300756576 QFZUQZIKSBBSEA-KRWDZBQOSA-N 440.577 1.329 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1301406939 ZDJOVRLIAWISNG-ZWKOTPCHSA-N 439.582 1.749 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1301447828 BMNGSJUFZKFNLT-OYHNWAKOSA-N 439.520 1.575 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301490972 AWUMILDYEFDSSL-HNNXBMFYSA-N 436.438 1.752 30 10 IDEE COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)CC1=O 1301854977 BQRJJCXAFFTUGA-KRWDZBQOSA-N 431.541 1.041 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CCN1S(C)(=O)=O 1302883273 RBCSEGXHNRNJJH-HNNXBMFYSA-N 426.502 1.928 30 10 IDEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1303721254 CVDZJHGYZQQGQF-BRWVUGGUSA-N 425.541 1.109 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCCOC2=O)CC1 1304193412 HWTFUEYWGVWHTB-UHFFFAOYSA-N 434.518 1.339 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@]3(CO)CCCC[C@]3(CO)C2)CC1 1308136864 YNBBLQWZKLIKAA-OEMFJLHTSA-N 444.551 1.382 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H](OC)C(F)(F)F)CCOC1 1314141030 NCMWASQRTJTOAL-CKEIUWERSA-N 433.431 1.626 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(CC)C1CC1 1314393194 AMNQQYWRWIIGDT-QGZVFWFLSA-N 439.568 1.676 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1316046125 ZNCJNWXCJATERQ-FQEVSTJZSA-N 437.504 1.867 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1342263338 OYDBFLCZXQQVSG-RHSMWYFYSA-N 428.938 1.677 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1358984913 KITWRQAGLHCIMQ-HNNXBMFYSA-N 430.534 1.266 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OCCOC)CC1 1359033553 GMZWNOYSWCAPMU-UHFFFAOYSA-N 435.532 1.507 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCNS(C)(=O)=O 1359100657 DYTOEILTWLLBFT-HKUYNNGSSA-N 434.566 1.231 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359457744 UFCRRWBTUJFNHL-UHFFFAOYSA-N 445.531 1.768 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CCCN1C(=O)OC(C)(C)C 1453691118 OJPIVVZYHHHCHV-XZOQPEGZSA-N 449.548 1.256 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1458040042 SFCHJGIJKATZCA-IERDGZPVSA-N 448.545 1.742 30 10 IDEE COc1ccccc1N1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 1460928085 BRLWODQTAKRWMC-UHFFFAOYSA-N 438.532 1.724 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3C23CCC3)C1=O 1462807623 ONZTWISLKMWUBR-UHFFFAOYSA-N 427.457 1.445 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1462987507 BGLVKXWBOOLNKM-SFHVURJKSA-N 438.525 1.870 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)nc1 1471984284 SWNUYHFAKSOHJO-UXHICEINSA-N 440.548 1.069 30 10 IDEE C#CCC1(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCOCC1 1477625741 TVPHZNKUZVAKMI-GOSISDBHSA-N 435.546 1.516 30 10 IDEE COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1478447326 KGCNJTKEDOEYSH-SNVBAGLBSA-N 436.266 1.652 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1503367173 HISUTJPQIGYCKD-KRWDZBQOSA-N 430.534 1.167 30 10 IDEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1505279917 HAGGAYGZCOIPAC-RYRKJORJSA-N 445.568 1.872 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(=O)(=O)CC 1507511540 BFVUUAACIJXCQR-QGZVFWFLSA-N 446.577 1.935 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOCC1(C)C 1507541814 ILGVIZIPLBKXTA-MRXNPFEDSA-N 430.578 1.838 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1507612282 SEIPEQUMOQSATQ-UHFFFAOYSA-N 443.458 1.516 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507629232 ROKFOMXBNXHVCK-MRXNPFEDSA-N 434.518 1.015 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1507643491 WBTMMPHWTUYWNT-DLBZAZTESA-N 427.530 1.527 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)COC)CC1 1507717428 CIGJFTJWUJSOSD-UHFFFAOYSA-N 445.589 1.776 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccc(O)cc2)CC1 1507719488 NWQCDNFEBWAGKN-HSZRJFAPSA-N 425.533 1.634 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507753221 CZPOLJSXZRHFMV-WMZOPIPTSA-N 433.578 1.618 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1508088582 HGGHSAWKSFTSTP-KDURUIRLSA-N 429.613 1.843 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1508097613 JDIJGIQRDHKAEC-PKOBYXMFSA-N 445.612 1.257 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@H]2C)C1 1508111454 YIXFTVFWJYXOBG-QZTJIDSGSA-N 441.536 1.427 30 10 IDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CCC1 1510348731 FINYLLWYOGOFDR-QGZVFWFLSA-N 436.582 1.931 30 10 IDEE CN(C)C(=O)CCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516957114 NQURBMUAKQMAOY-UHFFFAOYSA-N 446.515 1.667 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1517516539 DEIDRRBVDXQBDZ-WOJBJXKFSA-N 438.532 1.831 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)cc1 1521095967 UBDBJVBSJYTTSL-SFTDATJTSA-N 435.532 1.782 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1529124842 PITCJKBHFCKUKG-JOCHJYFZSA-N 435.440 1.440 30 10 IDEE C#CCN(C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1537469384 QPSPYPDMPRIYFA-HOTGVXAUSA-N 427.320 1.275 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCN2CCN(C)C(C)(C)C2)c1 1539041973 AFFYEOMFKBLTBH-UHFFFAOYSA-N 437.592 1.923 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1540005714 NXBXVLACSIMQRN-QGZVFWFLSA-N 437.570 1.337 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C)C1CC1 1540109036 NUIQNVCIKOAVSC-JZXOWHBKSA-N 439.582 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](C(N)=O)C1 1540898809 VOQNJAJBABTONF-ZWKOTPCHSA-N 431.562 1.732 30 10 IDEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1541090451 SWPDPGJROPINMI-UHFFFAOYSA-N 433.520 1.403 30 10 IDEE COc1ccccc1O[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1555092967 BKNQBENDNDFUGL-OAGGEKHMSA-N 426.477 1.434 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)Cc2cccc(Br)c2)CC1 1558073166 MVNSMNXZAMMEPS-INIZCTEOSA-N 442.379 1.630 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)OC)cc1 1558287380 QGPNHTOBOFUQNL-IBGZPJMESA-N 440.477 1.858 30 10 IDEE CCCN1C[C@H](CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 1564954109 XSBLFHUPBILWCG-HNNXBMFYSA-N 441.511 1.956 30 10 IDEE COC[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@@H]1CCCOC1 1565361474 SSPJKLWGLCZMRT-OXQOHEQNSA-N 426.521 2.000 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1588054614 OKTFKMWIZMFEEK-IEBWSBKVSA-N 429.546 1.898 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1588064816 PLZJZSBHLUZSCQ-QGZVFWFLSA-N 428.562 1.367 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCOCC1 1588093234 HAAVVXIIFSMWEV-INIZCTEOSA-N 445.365 1.840 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1595955620 BPCLBWXCFCBITL-UHFFFAOYSA-N 449.519 1.353 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1612197430 KYYLMYFEKAUOQU-XUTLUUPISA-N 432.488 1.915 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1613897726 FNDXGILEVWEVOE-QHCPKHFHSA-N 448.531 1.871 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)CC1 1615993071 DQGGYCAJSHFDMV-SFHVURJKSA-N 428.493 1.757 30 10 IDEE CO[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1618975051 BVAPGITWAOOSIE-WMZOPIPTSA-N 433.534 1.748 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCCO2)CCO1 1620354502 GSTXYTJFVFCZTQ-DLBZAZTESA-N 441.492 1.240 30 10 IDEE COc1ccc(F)c(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624062413 PYPVLOILZDSODP-UHFFFAOYSA-N 433.461 1.861 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)n[nH]2)c1C 1624108653 SFXCTSOJQIVJIA-IAGOWNOFSA-N 430.509 1.786 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3cccc(F)c3c2COC)CC1 1632960574 KCFJCNMEXGZGGR-UHFFFAOYSA-N 425.507 1.412 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)OCc1ccccc1 1640826012 LNIJJJHNOXMOAG-UHFFFAOYSA-N 430.486 1.158 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 1640846017 XRNAIKOPUTYHOW-HZPDHXFCSA-N 425.510 1.694 30 10 IDEE COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCCCCC1 1643821714 ACVOEVCZPSUJJB-UHFFFAOYSA-N 434.562 1.931 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c1 1648493001 GUTVTFCNCLGFSZ-JOCHJYFZSA-N 430.505 1.668 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1648587102 ZZMDWGIARKKPCH-BQFCYCMXSA-N 426.922 1.153 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1661544323 JRZQOHHJMWRJEG-LLVKDONJSA-N 437.312 1.824 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 1665507599 WAKDJXTWNVBHHE-WMZOPIPTSA-N 430.567 1.702 30 10 IDEE CC(C)S(=O)(=O)CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1673350768 DUZPTBAZPPLJMZ-UHFFFAOYSA-N 430.534 1.603 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1687386500 KXSWYMBJSLQENV-FQEVSTJZSA-N 435.509 1.613 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690000774 BFRWQASQQVLMDP-SIKLNZKXSA-N 426.542 1.442 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2COCCO2)CC1 1690115010 OJHFURMYWCCYQG-HXUWFJFHSA-N 427.505 1.133 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1690266045 ZBVCEUFKOPWOKA-AWEZNQCLSA-N 448.387 1.922 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1690620065 NYJMQNYFNTUCEJ-QHCPKHFHSA-N 438.532 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690724400 OBWPLLWYZSJAMV-BBWFWOEESA-N 437.566 1.178 30 10 IDEE C[C@H]1COCCN1CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1693857145 DYSYHZHHMRQVFJ-SFHVURJKSA-N 438.580 1.890 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1695433153 XGRJOISCDRTVTJ-JOCHJYFZSA-N 437.504 1.764 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(NC(C)=O)c2)CCOC1 1696085048 CLUONYYSPQFXLL-UGKGYDQZSA-N 440.504 1.666 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1705479927 QGBAFTMXZNSQOR-NPPFBWRTSA-N 433.553 1.272 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1705490196 DTTXNDAXMFAERT-INIZCTEOSA-N 449.515 1.975 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705530026 MZTYUJLIEMXRBY-KRWDZBQOSA-N 434.504 1.899 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1705570441 NRFQQOVXOFCOLL-KRWDZBQOSA-N 433.582 1.255 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(SC)CCOCC2)CC1 1705632226 JRECCVRTUDZTOU-UHFFFAOYSA-N 448.637 1.864 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncc(CC)s2)CC1 1705634796 JIIRMQWDXJWLIZ-OAQYLSRUSA-N 430.578 1.753 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2CCN(C(=O)OC)CC2)CC1 1705647864 NOPLOVZAYSTJJR-UHFFFAOYSA-N 428.537 1.600 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705660113 MYXXSGCKQDNNTH-HUUCEWRRSA-N 445.549 1.680 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 1705677052 ZJRAYBBVUDXURC-HSZRJFAPSA-N 427.597 1.419 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705780571 RQPWVYFSAZQOSA-UYAOXDASSA-N 429.613 1.905 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705790711 DSZDSWPQSMERAC-KRWDZBQOSA-N 443.556 1.457 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1705834156 FHYFPJLOHGPHJV-KGLIPLIRSA-N 435.550 1.891 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705906243 XUPYZBWCDWIQEL-SJLPKXTDSA-N 438.532 1.893 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(C)=O)nc2)C1 1705914557 OTLGPKNMBSJCDX-SFHVURJKSA-N 439.520 1.697 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC(C)(C)C2)C1 1705915575 WFJIRCOEBSXVDV-GOSISDBHSA-N 432.569 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705931804 AYRWUTOKEOEPNF-JSGCOSHPSA-N 446.455 1.492 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C)c2ccccc2C1 1705936805 YQKXJLTUNSZYDD-SFHVURJKSA-N 431.562 1.839 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C1 1705966351 FZHLVMBLYCOOQM-PXNSSMCTSA-N 439.564 1.983 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1706159033 BWISXVLQPKZDFG-ZACQAIPSSA-N 432.525 1.910 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1706234451 QNJWFDBVZMAQSH-UHFFFAOYSA-N 449.515 1.935 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)C1 1706933352 CETMJORMZJRSOH-JTOWHCCKSA-N 426.518 1.272 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCOCCS(C)(=O)=O)C1 1706935617 VKNBSAGGROYIJF-QFBILLFUSA-N 425.555 1.363 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1707951164 FXUYYLMDFLPGII-HNNXBMFYSA-N 433.520 1.878 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(C)=O 1710857526 DHDNEZXLFMDFLM-OAHLLOKOSA-N 432.550 1.602 30 10 IDEE CN(C)C(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1710985542 DRBPWXNBXCUCLQ-UHFFFAOYSA-N 434.504 1.410 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCOC2)c1 1722305863 VTTUXKOLJWYJTJ-QHCPKHFHSA-N 432.484 1.548 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1722361516 ZLAFADVHLOOMTK-KRWDZBQOSA-N 449.602 1.522 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722378529 PPBAPMVMEAATQN-INIZCTEOSA-N 441.513 1.028 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722402835 QXNXSORSEAZGGJ-CQSZACIVSA-N 442.549 1.490 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1722629987 RIMBHWUMSCAZCC-KRWDZBQOSA-N 439.582 1.222 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC(F)F 1722638272 TTZDRHANULMMFY-UHFFFAOYSA-N 427.481 1.242 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)C1 1722715914 RDHFJDJHLITELY-MRXNPFEDSA-N 433.534 1.061 30 10 IDEE C[C@H]1CCCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1726581205 DKFXWJFLMGUPCL-SFHVURJKSA-N 437.548 1.787 30 10 IDEE C#CCN(c1nnc(CC)n1CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740624223 DWURLOLUPCAAFY-INIZCTEOSA-N 439.582 1.724 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740625804 PVGQNYCLSWQITJ-LJQANCHMSA-N 429.546 1.483 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1740626455 KSGAEBBECKIFAP-MOPGFXCFSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1740656747 MHBYZHOTDDAFGJ-KURKYZTESA-N 437.541 1.212 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC2(O)CCOCC2)CC1 1740706187 QQZNEFBNYIKORM-IBGZPJMESA-N 445.564 1.070 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1740773906 GWIBEBXEAOMHLY-AWEZNQCLSA-N 441.583 1.222 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1740919537 JTJVDPJOEWHRBB-AWEZNQCLSA-N 448.528 1.397 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740948945 UTMBPCWPOHJSHI-UHFFFAOYSA-N 428.512 1.927 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740957194 FJDLYBSOTUTKDS-INIZCTEOSA-N 440.483 1.563 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740989573 RHAPRIATQPYAEJ-XGHQBKJUSA-N 447.561 1.714 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1748752407 WKQZMCJZJAYOBA-QGZVFWFLSA-N 427.509 1.253 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)[C@H](C)CCC)CC1 1748994791 RNCHVRIMJBEJTC-GOSISDBHSA-N 440.596 1.447 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1748999381 SPPDXIRBDHWZIJ-JOCHJYFZSA-N 433.560 1.824 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)CCOC)CC1 1749009343 IGUYPFGQGDYUNZ-LJQANCHMSA-N 432.569 1.064 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCOC2)CC1 1749331645 RRHBOJAOJMFSMS-NRFANRHFSA-N 432.546 1.902 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(N)=O)CC2)cc1 1749683510 WBNVTFBAHISGCZ-UHFFFAOYSA-N 426.521 1.731 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760141059 IHQPHJDMKWDLKA-SFHVURJKSA-N 447.547 1.581 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)SC)CC1 1760264675 BNEBMYOLIMHISA-UHFFFAOYSA-N 432.594 1.622 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOCC)CC1 1760335837 RGDWAWAGQFJSSR-UYAOXDASSA-N 429.569 1.818 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CCCO)CC1 1760396313 ALCXKSGQWOMXKW-AEFFLSMTSA-N 440.614 1.138 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1760440565 MOJGDOUTSCCMDO-CYBMUJFWSA-N 425.477 1.966 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760557843 XLGVQASGWOTUQM-WMZOPIPTSA-N 426.583 1.852 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)CC1CC1 1766336275 WRBFUYUXGWERQH-UHFFFAOYSA-N 446.533 1.174 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)CC#N)c1 1767839275 DIQZZRQHDMXKCS-INIZCTEOSA-N 439.545 1.959 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1768427336 FITAANKQPZRLQR-LLGFUMIMSA-N 433.532 1.167 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ncccc1C 1771220308 WENMDZFPYYTFAC-HKUYNNGSSA-N 425.537 1.930 30 10 IDEE O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1851316682 BNYFBNAGBPJXFB-UHFFFAOYSA-N 437.337 1.999 30 10 IDEE CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC#CCN1CCOCC1 1851728177 CMGZYNCUMYHNRP-LJQANCHMSA-N 441.981 1.485 30 10 IDEE Cn1nncc1CN(C(=O)c1ccccc1OCC#N)[C@H]1CCc2nn(C)c(=O)cc2C1 1853466060 ASESPBRVMUZZNN-INIZCTEOSA-N 433.472 1.011 30 10 IDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1870098005 INWUIPZMYFZPCT-UHFFFAOYSA-N 427.402 1.806 30 10 IDEE CCN(CC)CCNC(=S)NN=C(C)C(C)=NNC(=S)NC[C@@H](C)N(CC)CC 1933295879 FRIQDJQSKXJTNF-OAHLLOKOSA-N 444.719 1.739 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2006228767 UFFLFFJJBVXADD-LBPRGKRZSA-N 425.345 1.983 30 10 IDEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060636827 BXVCQRPSGOJMTE-AWEZNQCLSA-N 436.318 1.644 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2126937700 QUJHQWLPJQESNP-OAQYLSRUSA-N 448.329 1.476 30 10 IDEE C=C(C)CN(CC)C(=O)CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195347954 ADICJSCNOVUCGZ-KRWDZBQOSA-N 440.518 1.596 30 10 IDEE Cc1cc(C#CCN)c(CN(C)S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)s1 2237720137 CLFZMOQHGUZKDY-UHFFFAOYSA-N 445.566 1.815 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1 2255673462 FQDJMGJUUCELFZ-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CC1 2255808426 JOKQBJWMDSOYDC-UHFFFAOYSA-N 432.330 1.578 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1 2255831728 AIPXFQALHOMXQE-UHFFFAOYSA-N 434.346 1.894 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 2267184030 KIIPZSIQHXIQQQ-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267263921 LITCZOJFLBTHFR-NWDGAFQWSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267273690 QDEORGRHUAVOFM-UHFFFAOYSA-N 444.341 1.859 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267597401 QHZQWOJELKEPEK-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2267879086 DZPNMZQYBZBFOI-UHFFFAOYSA-N 442.247 1.307 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267880385 SPZIGIIMDCVRGC-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269075392 MJWAEERRQZFIES-HOCLYGCPSA-N 441.293 1.564 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)CC(C)C)NC(=O)OCc1ccccc1 2270506003 NXWGEUKYRHAGKD-QGZVFWFLSA-N 425.507 1.656 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2272631870 BGXDMKZVQACNKE-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2c2cc(Br)cnc2C#N)C1 2379838134 KADXKLYBHUWWER-HNNXBMFYSA-N 436.310 1.887 30 10 IDEE CN(Cc1ccccc1F)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445481 VGWDSWBBCOYXMJ-UHFFFAOYSA-N 430.505 1.662 30 10 IDEE CS(=O)(=O)N1CCN(C/C(O)=N/c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 22242446 RAKFAFVPXLLIKX-UHFFFAOYSA-N 425.492 1.884 30 10 IDEE COc1ccc([C@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 102752146 BOKBLLOZZOSPID-LCPUNJGISA-N 440.500 1.789 30 10 IDEE O=C1CN(C(=O)N[C@H](Cc2ccccc2)C(=O)ON2C(=O)CCC2=O)c2ccccc2N1 208902215 NNXQLLOMJWSZMJ-MRXNPFEDSA-N 436.424 1.373 30 10 IDEE CCC1(CC)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 428700494 LWHBNQCRWQSJCI-QGZVFWFLSA-N 446.529 1.579 30 10 IDEE COc1cccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 441447338 MTMCPDPQNXOWRZ-UHFFFAOYSA-N 429.502 1.220 30 10 IDEE C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 465198653 XPANEAVVWUACTM-HOTGVXAUSA-N 442.545 1.439 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 474608259 RDZOJMQOYGIDDK-QGZVFWFLSA-N 431.562 1.947 30 10 IDEE CCN1CC[C@H]2OCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@H]2C1 502702488 CABINKAQSILKRW-LEWJYISDSA-N 446.573 1.281 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 508866938 NECJTSQZLJASHJ-QUCCMNQESA-N 441.532 1.977 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NCc2ccccc2)nc1C 526839121 FHSULSAIBFRQLL-LJAQVGFWSA-N 435.527 1.798 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@@H]3[C@H]3CCCCC3=O)C2=O)cc1 544790185 DNXDWGGQLJZBQU-GUDVDZBRSA-N 438.484 1.750 30 10 IDEE CS(=O)(=O)Nc1ccc(OCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545483302 NCRHLGVACBXKCM-UHFFFAOYSA-N 444.517 1.235 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)C(=O)C1 549667660 YMAYYLUSFNBENN-UHFFFAOYSA-N 429.550 1.625 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 582996871 ZOYAGQDLRHFWLT-QGZVFWFLSA-N 427.530 1.776 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)c2cccc(Br)c2)c1 589483347 CTMPZNOWOPIDBH-MRXNPFEDSA-N 438.303 1.449 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 591114160 FBLZYYDTRWBOBV-KRWDZBQOSA-N 436.965 1.302 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730139916 DAUFGJZVUMFORF-IBGZPJMESA-N 447.605 1.829 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)c1 730144591 OTIFBOCSHWWUAV-OALUTQOASA-N 428.558 1.846 30 10 IDEE CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1F 732651140 XLBCFWPIBSHFKE-LBPRGKRZSA-N 430.299 1.804 30 10 IDEE CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2C1 737305240 FZNOTRWHWRNPLB-IWKHNONTSA-N 439.516 1.628 30 10 IDEE Cc1ccc(-n2nc(C)cc2NC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741340449 DXJSIEUFHKTJBS-DQRAZIAOSA-N 437.456 1.887 30 10 IDEE CN1C(=O)N(CC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C(=O)C12CCCCC2 751632083 KSKRDVHHXOFQQG-CQSZACIVSA-N 430.486 1.865 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@]1(C(=O)O)CCOC1 757470099 ANDCJGJSPSUHLE-XMMPIXPASA-N 434.448 1.888 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ncccc2Cl)C1 758310181 ANLKKOVQRJBKCY-CYBMUJFWSA-N 433.921 1.559 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccnn2)C1=O 766406369 QAUHGMKTIDNALS-KRWDZBQOSA-N 430.509 1.815 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c(OC)c1OC 780962999 NLLYMFTWKNZMHK-LJQANCHMSA-N 439.468 1.602 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc3cnccc23)c1=O 782927337 WCUKFHZVVGIZMZ-UHFFFAOYSA-N 446.532 1.137 30 10 IDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 790020400 ADOYOUKXQBXTJO-TUZCLIIJSA-N 436.559 1.211 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)cc1C#N 799255004 AYAYILAPMFPURQ-HXUWFJFHSA-N 436.468 1.740 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(OC(F)(F)F)c2)N(Cc2cnn(C)n2)C1=O 807939906 UAXPASBLFKINRF-ZDUSSCGKSA-N 442.423 1.982 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 858069289 LEASZMJWPBFNPG-SFHVURJKSA-N 426.498 1.789 30 10 IDEE O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 919710506 RYWZIXMQXIOJER-CYBMUJFWSA-N 433.515 1.201 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CCOC)CC1 920297702 DSQWKLXORXWPIC-GOSISDBHSA-N 436.578 1.465 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)CC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 1127899800 IPXGXYPOGTYYGA-SFHVURJKSA-N 428.537 1.079 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)C[C@H]3C3CCC3)CC2=O)cc1Cl 1130215294 CLDBINJKGTUPFW-QAPCUYQASA-N 435.933 1.990 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1152566084 UNBUUTPCHJTLKQ-MSOLQXFVSA-N 433.530 1.566 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)NCCN3CCCCC3)CC2=O)cc1Cl 1157971174 HVJQJDIDWYCNEL-MRXNPFEDSA-N 431.924 1.283 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)cn1 1192327710 JHMVNWQCGIWCDR-UHFFFAOYSA-N 426.520 1.155 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)n1 1211730971 KNWBIEIYXZKRAO-MUUNZHRXSA-N 439.563 1.213 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1286295397 ISRGIMJNTFVLCO-YOEHRIQHSA-N 437.953 1.771 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1286375960 BEGWRFBCLFUPGI-HNNXBMFYSA-N 425.555 1.555 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286388117 YJEIOOXIIABENX-MJGOQNOKSA-N 430.578 1.697 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286415431 NKKHFFCKSXYVRJ-GUDVDZBRSA-N 431.562 1.407 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286688319 WIENMACTYGOVPH-KRWDZBQOSA-N 438.536 1.406 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCNC(=O)CC1 1286778924 FQRSRXUAJWEDHZ-UHFFFAOYSA-N 447.543 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1286814593 CYLYZHYGLKGQOH-QGZVFWFLSA-N 428.518 1.119 30 10 IDEE CN(C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1298089438 XCJIPGDNXHGHJB-AWEZNQCLSA-N 438.330 1.343 30 10 IDEE CN(c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1298133898 GILUETRUZHIAMA-DPHDRGAJSA-N 426.452 1.836 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300502958 ZJPCKBSVJLAUNC-GOSISDBHSA-N 427.530 1.005 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1300685162 IFLBZFWEBVFVGA-XUZZJYLKSA-N 444.624 1.950 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](C)C1 1300883851 FUSQPISBTQPZLB-MLYOOKFZSA-N 432.569 1.367 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301483833 XCWQPCUVPAWFIF-MRXNPFEDSA-N 429.912 1.457 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC)[C@H](C)C1 1301492668 MPRVVRWKUXNKFH-MRXNPFEDSA-N 426.521 1.549 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1301502870 RDQJWHXKIJOCBT-WOJBJXKFSA-N 431.629 1.774 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(N)=O)C1 1301576532 DBOYSJXBLWNFEH-CQSZACIVSA-N 438.941 1.296 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C)C1 1301587178 RPABPPJOKHJPCG-MRXNPFEDSA-N 430.534 1.343 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cn[nH]c1 1302038506 QAFJGTBCNYJQDS-CQSZACIVSA-N 438.492 1.503 30 10 IDEE C[S@@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1302508145 HRSDXAWVXPBNBG-YVORESIASA-N 425.580 1.221 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(NC4CCOCC4)CC3)C2=O)cc1 1302915560 UBTRUIHTAQOUJS-HXUWFJFHSA-N 439.516 1.523 30 10 IDEE C=CCNc1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)s1 1304359149 JPXBXZGVQROTDS-OLZOCXBDSA-N 442.563 1.600 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCCCS1(=O)=O 1306192583 BVJOQKUPCKLVLP-MRXNPFEDSA-N 446.581 1.048 30 10 IDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1)S(C)(=O)=O 1313802185 VPCVVCYCXODMLO-QGZVFWFLSA-N 438.598 1.974 30 10 IDEE COC(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 1354816621 DEUOXGQWXPAREO-NKFKGCMQSA-N 430.486 1.862 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358955931 XAAUFOIPDVICPE-MRXNPFEDSA-N 442.545 1.742 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1359039921 AXZGKTJDIKDKMW-FDDCHVKYSA-N 444.580 1.730 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1359293864 BYBGEAPAGQCNGD-GJZGRUSLSA-N 449.602 1.981 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359296333 FQXDUZXFEKVLAS-INIZCTEOSA-N 440.504 1.076 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1359300191 WDCSBWKTCPERQO-GOSISDBHSA-N 430.553 1.803 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C)C1 1359300703 ISBYFUIHOFKPHQ-INIZCTEOSA-N 448.568 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1359330722 AWSMMABVJQWSLY-UHFFFAOYSA-N 432.554 1.266 30 10 IDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OCC 1438909633 VNQMVJBXESSRRN-KRWDZBQOSA-N 444.937 1.989 30 10 IDEE N#C[C@]1(C(=O)NC[C@@H](O)COc2ccc(I)cc2)CCCOC1 1445805195 UFPKRCPVXJONQS-CZUORRHYSA-N 430.242 1.467 30 10 IDEE CS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Cl)cc1Cl 1462997698 KHSBFJBSZLHUJP-VFZGTOFNSA-N 437.326 1.407 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cccc(F)c2Br)CC1 1471450691 HBBSSDTZDXZWMW-UHFFFAOYSA-N 432.315 1.133 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C1CC1 1471759238 TYKCOHGBZSRTKC-ZWKOTPCHSA-N 433.530 1.663 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)cc1 1475051310 UADPKRFRVFUUBA-UHFFFAOYSA-N 444.509 1.840 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1501004841 KEILWGNJWJUTKZ-WOIUINJBSA-N 432.569 1.923 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@H]1O 1503881936 OCYGAGQXFVTSHD-QZTJIDSGSA-N 445.545 1.293 30 10 IDEE COCCOCCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505045154 WQUUUUIFMNSVJB-UHFFFAOYSA-N 436.476 1.323 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1507519221 GGFFXGKRARUCSY-LBPRGKRZSA-N 428.356 1.939 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507523212 JPUVZNZHXJWPSA-KRWDZBQOSA-N 440.548 1.584 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1507536091 AHXVAUQEPGEXID-CVEARBPZSA-N 434.541 1.523 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1507541418 JUQUULFNHMPRMN-FPOVZHCZSA-N 436.560 1.932 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1507632190 JOHJGUSJXCGCDQ-HOCLYGCPSA-N 433.559 1.274 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1507635764 ZNXOVJRMPHLHQD-ICSRJNTNSA-N 429.590 1.988 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507750299 PVIFOEFBHSVSSJ-UHFFFAOYSA-N 435.579 1.010 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507937604 VSXHQKVNCGBDNY-MRXNPFEDSA-N 428.541 1.780 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1508433584 KJQVEINBCOJNCD-DAYGRLMNSA-N 433.534 1.490 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1509524164 HOEPXZJYZWUQGQ-ICSRJNTNSA-N 437.548 1.784 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1517631141 PPHTWLWQOXPILH-QYZOEREBSA-N 444.561 1.812 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCO2)C[C@H]1O 1517689604 KRFZASLSFZACSB-HMFYCAOWSA-N 425.489 1.746 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1539253491 UWEHGUISJWUQTC-UHFFFAOYSA-N 442.476 1.265 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539318804 YLVDBKJDJXIILP-ICSRJNTNSA-N 447.543 1.361 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C 1539320605 WROOEZHXONPIDA-UHFFFAOYSA-N 443.529 1.465 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSc2ccccc21 1539395870 JUCVZVMETIXYKN-HOTGVXAUSA-N 449.602 1.864 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1539556897 JQRNNBICOWMOGE-WIYYLYMNSA-N 447.536 1.791 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539751959 YBWJNXHZZHTJLO-ROUUACIJSA-N 446.552 1.879 30 10 IDEE C=CCCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1539981336 FOIKJKLUJBRBTI-BZUAXINKSA-N 425.555 1.679 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCOCCN(C)C)CC2)c1C#N 1543002190 REKGHINFDXLYSK-UHFFFAOYSA-N 441.584 1.049 30 10 IDEE C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OCCc2ccccc21 1543121749 NRAUTAAAIPFLIV-QFIPXVFZSA-N 425.510 1.879 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCC(CO)CC2)cc1 1544855720 XVFAJPAPZZKXRA-ATJXCDBQSA-N 436.578 1.922 30 10 IDEE CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1547422631 BSDITZKTIJVVSA-GJYPPUQNSA-N 425.603 1.749 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NC1CCCCC1 1548137279 ANGSXUYGNPMSNO-UHFFFAOYSA-N 439.520 1.798 30 10 IDEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1548273405 QUXNWYYUVRXFKZ-OTWHNJEPSA-N 429.546 1.960 30 10 IDEE Cn1cnnc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1554353341 VTIGINAYPSJWSD-LAPQFRIASA-N 445.503 1.668 30 10 IDEE COC[C@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555270186 UWNGCTXBBQFUDF-MRXNPFEDSA-N 439.499 1.565 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCS(=O)(=O)C1 1555559580 XVKQDSSPTBKXOW-HNNXBMFYSA-N 438.579 1.435 30 10 IDEE COC(=O)c1nc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1Cl 1565046457 PNGMJUDSAFNCGC-UHFFFAOYSA-N 431.884 1.467 30 10 IDEE C#CC[C@H]1CCCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1565335046 OARJYVSSXGYQIH-DLBZAZTESA-N 427.567 1.856 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCS(=O)(=O)CC1 1583979767 FUIZITOXHKUKEL-INIZCTEOSA-N 449.529 1.470 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1588045993 VGNXBTQLJZQBMR-QGZVFWFLSA-N 425.518 1.172 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1588065396 YDPQODYKKZYBQJ-SFHVURJKSA-N 431.562 1.442 30 10 IDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1589366326 BTDRCDMFCDSNLZ-UHFFFAOYSA-N 435.326 1.980 30 10 IDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccncc2)CC1 1594839583 OMAPVDZNCJSWAZ-UHFFFAOYSA-N 426.569 1.646 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](F)(C#N)C1 1595467767 ZBQNSQWSHOWFNH-NRFANRHFSA-N 425.468 1.891 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595523024 MUBZOKSVZHASIP-QGZVFWFLSA-N 428.512 1.687 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(=O)NC)C1 1595537206 NQKDQXVEBCQSQK-KRWDZBQOSA-N 449.515 1.865 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C[C@@H]3CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1595602490 LHRWYBQHDYDSIV-MSYCTHLASA-N 447.580 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](COC)C1 1595777074 ICDYOYQVZMQXMF-GOSISDBHSA-N 436.534 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595805506 PYHNWSKDQXHESL-FXAWDEMLSA-N 426.583 1.852 30 10 IDEE Cc1ccc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1595926896 GJDMLRFUGUJLQK-UHFFFAOYSA-N 425.470 1.595 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1597769646 KZFYEWFDQLANOY-GVDBMIGSSA-N 443.566 1.768 30 10 IDEE CC(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1607232565 PXYWUWIRBMSZHE-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE N#Cc1cn(C2CN(C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)C2)c(=O)nc1O 1607488089 GJQPDIDPRSADMZ-UHFFFAOYSA-N 427.505 1.459 30 10 IDEE COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619815045 XNSYHFUITNRDRS-UHFFFAOYSA-N 438.536 1.534 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1620054155 DNHMQQLFXRTHSY-FQEVSTJZSA-N 441.532 1.990 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(F)ccc4[nH]c3=O)CC2)cc1 1624067416 QJPZPPUSZVBWOE-UHFFFAOYSA-N 440.456 1.686 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)C2)C1 1624841383 SQMHATOJHORHIC-GJQWVYMPSA-N 437.537 1.982 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1627800032 HCOGKBMUCPERKX-IAGOWNOFSA-N 442.582 1.103 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)C2)C1 1628072410 RFIPNIGDTPXNNQ-JWRWLIQVSA-N 437.562 1.809 30 10 IDEE Cn1cc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c2ncon2)cn1 1628632022 DZAQTWDTZCKPDL-SJKOYZFVSA-N 425.836 1.587 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 1633988806 HHPFFEOXKILLLM-IRXDYDNUSA-N 433.530 1.822 30 10 IDEE Cn1cc(N2C[C@@H](C(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)CC2=O)cn1 1634568570 ARMHSUSMHAUBMU-LPHOPBHVSA-N 426.908 1.835 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 1634876335 LHYKZTQXJZXQQP-UHFFFAOYSA-N 435.315 1.140 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2ccc(OC)cc2)s1 1636365340 ZWNZERHXGGHCGI-GOSISDBHSA-N 438.527 1.794 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCN(CCC#N)CC1)Cc1ccc(C(F)(F)F)cc1 1636649311 ULIPFTYPAZUQGG-MRXNPFEDSA-N 425.455 1.851 30 10 IDEE Cc1ccc(C(=O)N2CCC(CN(CCO)C(C)C)CC2)cc1S(=O)(=O)NCC#N 1639739522 ZEESCKDTFUPGAM-UHFFFAOYSA-N 436.578 1.352 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ncc(Br)n3C2)cc1 1640495953 LCRKYCNSVNDIBQ-ZDUSSCGKSA-N 437.319 1.302 30 10 IDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)c2C1 1640509021 HEKGVFBFACTRJG-LJQANCHMSA-N 434.544 1.848 30 10 IDEE COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 1642721080 FVHZNMMRXAEOEA-FOIQADDNSA-N 429.498 1.834 30 10 IDEE Nc1nc(NCc2cn(CC(F)(F)F)c(=O)nc2O)nc(C(F)(F)C(F)(F)F)n1 1643203308 ODDSSLABVDKRML-UHFFFAOYSA-N 435.235 1.545 30 10 IDEE Cc1onc(CC(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1C#N 1643335222 KJNROVLSLVEYQW-XYPHTWIQSA-N 445.476 1.438 30 10 IDEE Cn1c(=O)n(CC#CCN2C(=O)c3ccccc3C2=O)c(=O)c2ccc(C(F)(F)F)nc21 1643636380 GJVSLTYBNXTRJY-UHFFFAOYSA-N 442.353 1.414 30 10 IDEE CCOC(=O)[C@@]1(F)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1CC 1645179230 UUJNAMCAFSFPMA-LBUQITIBSA-N 444.463 1.903 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC[C@@H]1C1CC1 1648028470 CELNUIBCNIWTFX-CVEARBPZSA-N 429.477 1.382 30 10 IDEE C[C@@H]1CN(CCCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1649559515 BLBJHSSMQHYKEB-QWFCFKBJSA-N 425.537 1.492 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1653053584 LFUQDEYTQGCGIL-NGEICVOHSA-N 440.566 1.267 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1653797448 AIZCLMOPVWDPOA-CXAGYDPISA-N 432.420 1.914 30 10 IDEE CCOC(=O)C1(C(F)(F)F)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1654956934 YLGZMUICNBFOQM-MRXNPFEDSA-N 432.487 1.886 30 10 IDEE Cn1cc([C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C2)nn1 1656473775 FLZARVADGTZNES-RXVVDRJESA-N 425.512 1.543 30 10 IDEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)c2ccc(C#N)nc2)CC1 1662090179 ACGWTDXONAXBPC-OAHLLOKOSA-N 448.570 1.861 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)c2nc(C(F)(F)F)cs2)CC1 1679678965 DFEOFNDBXWOWGW-NSHDSACASA-N 439.485 1.408 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1681200129 NNHBIGYQGLCPCZ-YRNRMSPPSA-N 440.566 1.746 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1689875090 JSGAGBPAJLRCSO-INIZCTEOSA-N 433.582 1.809 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1689886887 JNHJTLGKJXHZOA-BZSNNMDCSA-N 430.553 1.400 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689988228 LFZZGXNUHLIJTG-ZHALLVOQSA-N 446.577 1.511 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1690025066 CFSLUONZPSKRKV-UHFFFAOYSA-N 445.615 1.811 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1690034286 CIGALULUSGECBO-UHFFFAOYSA-N 441.561 1.098 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)CC1 1690119911 XXPNZTXQGDFVPI-UHFFFAOYSA-N 433.560 1.683 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1690175181 RBLMWDUQNSJHFS-MRXNPFEDSA-N 429.612 1.460 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOCC)C1 1690246370 SZZLNBUWBDCIDN-LXZJYRNTSA-N 433.553 1.842 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690345708 BCDZKDJOCMPLPQ-KSSFIOAISA-N 440.957 1.418 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1C 1690670814 JUBLUTBHKWTNDW-KRWDZBQOSA-N 447.561 1.306 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1695932207 RLTFZAYMGQOELH-UHFFFAOYSA-N 434.504 1.035 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)CC(F)(F)F 1696298092 ABCBFKLRXLSWMV-UHFFFAOYSA-N 439.442 1.844 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C(C)C 1696902214 CBBDVAJLOWFAOT-INIZCTEOSA-N 425.537 1.797 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCSCCCO)cc1 1698488995 VRASXUPSVOTUQD-NRFANRHFSA-N 429.546 1.928 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1705551054 FQEHMPNJEQFIAE-IBGZPJMESA-N 444.561 1.003 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1705581545 DXHQNNQRKAZTOP-UHFFFAOYSA-N 435.532 1.066 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC2CCC(OC)CC2)CC1 1705642178 JMKSPLZAGNAKSY-UHFFFAOYSA-N 428.581 1.751 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1705754732 FAQKDLOXSNCNFT-GJZGRUSLSA-N 433.962 1.369 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@@H]2OC)CC1 1705769033 GWMQOGKJLAIWJI-SQNIBIBYSA-N 439.582 1.583 30 10 IDEE C=CCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1705823459 MCCBCXWMOCNZAR-VXKWHMMOSA-N 446.552 1.711 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705902313 BIDHFKBJVZAFRA-SFHVURJKSA-N 443.552 1.749 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705937536 WZRUIJNXJFGIGP-GOSISDBHSA-N 434.566 1.242 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1706746550 BREPIHGRMYFZHK-QAPCUYQASA-N 440.504 1.811 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1710839523 VYUUNMMSUURPIG-WJOKGBTCSA-N 442.589 1.886 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1711055408 YHVAWXSUCFOXAM-KIJUOZEOSA-N 445.524 1.007 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCS(=O)(=O)c2ccccc2)CC1 1712882205 BBSLVDQYMYBSMD-GOSISDBHSA-N 442.545 1.833 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722358768 LEVJEEQJKLXFNU-HZPDHXFCSA-N 439.582 1.104 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722370454 LDDOQMPPSRCYKG-FDDCHVKYSA-N 434.500 1.726 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccn(CC)c1=O 1722382869 PPZOIVOPRJCWEP-UHFFFAOYSA-N 425.496 1.819 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCC(N)=O)c2)CC1 1722434244 MTUAFZGAFATPAF-UHFFFAOYSA-N 434.500 1.514 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1722460041 BMZXOLYERLDZTI-QGZVFWFLSA-N 434.543 1.392 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1722509514 PPDQQWJEFKSUPZ-DYXWJJEUSA-N 446.596 1.759 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722534974 UYQCNHYTDSKGIR-OAHLLOKOSA-N 425.497 1.398 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722693685 XKTJOKIVTHWFMA-SJLPKXTDSA-N 440.548 1.937 30 10 IDEE CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)C(C)C 1728511939 FUYABDOVXAFUGP-DLBZAZTESA-N 441.602 1.080 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(C(=O)OC)CC1 1730840818 LAEBRSUENJQUNN-YWZLYKJASA-N 438.504 1.922 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740573025 GQJYWWFXQLWYTP-QHCPKHFHSA-N 435.532 1.882 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1740699391 DXNRWWUACGLXHJ-UHFFFAOYSA-N 433.516 1.010 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740958424 OYCBUMQTYUOIGE-RBUKOAKNSA-N 431.585 1.038 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](COC)C1 1740988447 FAHLMQSFRBRWRF-HNNXBMFYSA-N 441.941 1.446 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1741001700 BDXXHXCDZHWRME-IRXDYDNUSA-N 443.639 1.256 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(CCN(C)C)CC1 1748647722 SHSBUGPWVAANJV-WMZHIEFXSA-N 432.613 1.662 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1748730003 BKVPFWUISWZGLA-ROUUACIJSA-N 430.553 1.295 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748817500 LMZILPSVDMDZKU-OTWHNJEPSA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1748818035 UVFXHRUYCXZING-RTBURBONSA-N 429.546 1.437 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(=O)NC)c1 1748830251 RYERHDPWXMUZBB-RUZDIDTESA-N 449.555 1.994 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccco1 1748950984 SIBSKMGCZQZHNN-UHFFFAOYSA-N 443.529 1.923 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749650516 ABHHEZUYDUPPCF-JKSUJKDBSA-N 444.511 1.822 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(OC)CCOC2)C1 1749692872 CJELKMZGJCQVLV-HRAATJIYSA-N 428.493 1.512 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCN(C)C2)C1 1749718770 IAEHIPLDTPBKRZ-JTSKRJEESA-N 431.512 1.844 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1)S(C)(=O)=O 1750090232 KYOFGMPXACKBLN-VWKPWSFCSA-N 447.561 1.880 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1760143639 MQEWRQLSBURKKR-UHFFFAOYSA-N 441.624 1.922 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c(OC)c(OC)c1 1760163549 WACMQEPKFGPNHK-LBPRGKRZSA-N 441.941 1.677 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCSC1 1760175516 LGWQGZPNPKEEPF-YWZLYKJASA-N 437.566 1.524 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1760186942 HCERNPADNLKADH-LJQANCHMSA-N 446.577 1.454 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(OC)c2)CC1 1760260144 MHRPGIYXFCOTMZ-FQEVSTJZSA-N 436.560 1.971 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760283957 DHBSFAFAMQIRJD-AWEZNQCLSA-N 432.575 1.303 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 1760319697 PJSFEDOJQFQJFJ-JXFKEZNVSA-N 428.537 1.736 30 10 IDEE C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760345151 LKYGHQWYBNPYFP-BZUAXINKSA-N 437.566 1.858 30 10 IDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760447198 GWSMJOZGAIDXCP-UHFFFAOYSA-N 447.971 1.796 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CCCO 1760461156 LMBQZSPOLLFWNZ-KRWDZBQOSA-N 447.609 1.707 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C 1760495102 FGSBCQARAGKJFM-ROUUACIJSA-N 438.598 1.274 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760516324 LGWFMLJDPCNZOV-PXNSSMCTSA-N 439.564 1.442 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760537615 PTVRTCACZSMSIX-SJORKVTESA-N 435.550 1.909 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1760538451 DVQNWCZGVWCMCU-JOCHJYFZSA-N 449.559 1.762 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760559330 MTESPNXOIQCMHR-GOSISDBHSA-N 427.596 1.351 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C2OCCO2)c1 1761238098 JMFVGBSVKOBZFP-KRWDZBQOSA-N 426.477 1.239 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CCO1 1769490690 FIMLEQNFNFWTFO-OAHLLOKOSA-N 438.410 1.347 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)(F)F)CCO1 1771538652 GAWWETJLCDHHAK-LBPRGKRZSA-N 442.373 1.403 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1772564624 GBZJYAOYXNKJJY-SFHVURJKSA-N 434.566 1.348 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1849167482 NUNKTMSJNKEZPX-VQIMIIECSA-N 435.546 1.341 30 10 IDEE N#Cc1cccc(C(=O)O[C@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)c1F 1852429595 PRIFBBJRSMWLJJ-IBGZPJMESA-N 441.459 1.662 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cccc(C#N)c2F)CC1 1853057027 INOZEWHZAWDIDE-QGZVFWFLSA-N 445.520 1.833 30 10 IDEE NC(=NOCCC(=O)N1CCC(n2cnc3ncccc3c2=O)CC1)c1ccc(F)cc1 1853406041 AMSSYSBAHJNAMY-UHFFFAOYSA-N 438.463 1.821 30 10 IDEE N#Cc1cccc(C(=O)N2CCCC[C@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)c1 1854097403 IZORDHKHIMYQMI-IBGZPJMESA-N 430.530 1.189 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@@H](CN(C)CCC#N)CC2=O)c1 1855746018 ROJLOTCROBPCGA-MJGOQNOKSA-N 432.546 1.369 30 10 IDEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)NCCN2C(=O)CSC2=O)CC1 1860607695 DDBXWLJFTVSBEH-GOSISDBHSA-N 433.530 1.547 30 10 IDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861504694 JYJWFBFFADZACU-WIYYLYMNSA-N 447.491 1.403 30 10 IDEE CCOC(=O)CCN(C)C(=O)[C@@H](C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868782821 LDOAHGZMGZCYHQ-NVXWUHKLSA-N 434.562 1.941 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)c2ccc3c(c2)OCO3)n([C@@H]2CCS(=O)(=O)C2)n1 1870004501 BRTMKWHSGDFPNJ-OAHLLOKOSA-N 445.501 1.797 30 10 IDEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711745 RYMCTBDJUXRRGF-UHFFFAOYSA-N 434.500 1.827 30 10 IDEE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)cc2C1=O 1873681778 QYESNZUPPBQACA-LLVKDONJSA-N 430.380 1.460 30 10 IDEE COCCn1c(C(=O)NCC#CCN2CCCCCC2)cc2c(=O)n3ccccc3nc21 1889612337 UNEUNYLXTPUUHM-UHFFFAOYSA-N 435.528 1.905 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](C(=O)N4CCOCC4)C3)n[nH]2)c1C 1891526967 GJAWGWORBXDNKK-QGZVFWFLSA-N 426.521 1.787 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 1902434984 FYIMLUDBFRFOLX-OALUTQOASA-N 435.590 1.920 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nn1 2060812129 UQHPMLOWYBNVQT-LJQANCHMSA-N 439.520 1.539 30 10 IDEE Cc1cc(Cl)c(C#CCN)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2138098325 UYQKUJPMLDUXLR-UHFFFAOYSA-N 431.901 1.997 30 10 IDEE Cn1cc(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2243418443 CVPFYZRPEGFUTA-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247877675 CZZBNIZPVMCVSP-UHFFFAOYSA-N 439.343 1.278 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 2255608254 IZZPWKIAZUXLGW-ZDUSSCGKSA-N 435.334 1.244 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2255674817 QAPQPRMXEQDSHN-INIZCTEOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]12 2255699031 MYAYZKRLPPSZCM-HUUCEWRRSA-N 429.326 1.976 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267113514 UZHIJNQUFUOLPH-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE Cn1cc(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)nc1B1OC(C)(C)C(C)(C)O1 2267499198 PDFPOFQVXAFEGP-UHFFFAOYSA-N 448.289 1.379 30 10 IDEE CN(CCOCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2267591023 WKIKEYOSTHTGJL-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)nc2)OC1(C)C 2267597277 UOLSQFHXYNTGEH-ZDUSSCGKSA-N 441.259 1.912 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267606101 SKLPAQXHUFKWQG-AWEZNQCLSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CC1 2267684195 UYTDYNXTDYYKJV-UHFFFAOYSA-N 447.341 1.889 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267874942 BXLAECIAJZNVHC-ZNMIVQPWSA-N 444.341 1.761 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268629269 UKGIIWWFRHKZIM-CABCVRRESA-N 447.341 1.937 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@](C)(O)C(F)F)cc2Cl)OC1(C)C 2282304710 OFIQQGQOVVRCPU-AWEZNQCLSA-N 431.719 1.995 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(F)c(C#CCO)c(F)c1 2366931132 YMTWJLRCCKPIKZ-UHFFFAOYSA-N 434.420 1.737 30 10 IDEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 102740353 MYYBTPHYULJDBX-GOBJLOIFSA-N 441.459 1.983 30 10 IDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1F 102744084 CYLFXSRXESBYLJ-GOBJLOIFSA-N 441.459 1.983 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 108626105 YVONUSBNGCZFNC-HXUWFJFHSA-N 442.560 1.141 30 10 IDEE Cc1cc(C#N)ccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 439028771 PEFUWVXPFDOGAJ-INIZCTEOSA-N 433.511 1.584 30 10 IDEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)n1 443294269 ZAWFDOLTBVORHS-UHFFFAOYSA-N 434.378 1.843 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 477358420 IXAQPVIEEOJCBA-UHFFFAOYSA-N 444.491 2.000 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccc(F)cc1 482552751 ITSVVMUNFNYAAJ-UHFFFAOYSA-N 436.493 1.753 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 487477801 NSFUPZWODCEFMR-GJZGRUSLSA-N 439.497 1.140 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN2CCOC[C@H]2C1 508841149 PCYDTCSJVWIVJR-JOCHJYFZSA-N 437.592 1.350 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(C(=O)OC)sc3ccccc23)CC1 518819781 SUDWWGUMQIMIRI-UHFFFAOYSA-N 437.543 1.296 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1Cc1ccccc1 535894229 HMDBKKAFMYGTJE-UHFFFAOYSA-N 427.888 2.000 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 537934293 HPEWBRXMFKBGEI-SFHVURJKSA-N 431.518 1.443 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)c1 540695717 DMERRIVEVUETSM-HNNXBMFYSA-N 439.537 1.531 30 10 IDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 545151077 MBJUCMRYKCBCMM-PBHICJAKSA-N 432.502 1.648 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N 561546771 XGSWFUHYOAWTQG-MFKMUULPSA-N 436.353 1.317 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 580305961 DAAGXNDLUOUHAA-LJQANCHMSA-N 431.562 1.792 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C 603799349 LXGARXCNVKXBHY-UHFFFAOYSA-N 425.535 1.535 30 10 IDEE C[C@@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)o1 610487923 WRQIFECBBUGAIH-KBRIMQKVSA-N 439.537 1.587 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1-c1ccc2c(c1)OCCO2 731545689 FMCLXXRNPBBCRZ-UHFFFAOYSA-N 439.453 1.478 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C(C3CC3)C3CC3)c2=O)cn1 735069374 SVIXQDOSZZKUPM-UHFFFAOYSA-N 437.569 1.659 30 10 IDEE N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 741444148 UEJMDMNEWHOXJU-MGPQQGTHSA-N 430.404 1.655 30 10 IDEE COc1ccc(N2CCN(C[C@H](O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)cc1 760912345 YBBMITNDPFWJCE-QFIPXVFZSA-N 436.560 1.267 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 766697415 IZDGGNUZEMODAD-CQSZACIVSA-N 441.465 1.458 30 10 IDEE C#CCN(C(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 774245499 OROUWIMDGGTEHJ-MRXNPFEDSA-N 433.530 1.950 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C 782816048 QZJQKBNBYYQNBB-DZKIICNBSA-N 448.545 1.519 30 10 IDEE C[C@H]1CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@@H](C)N1C(=O)[C@H](O)c1ccc(C#N)cc1 790028847 IWXKNPVQSARNHI-VYXDICFBSA-N 432.480 1.645 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 794647959 VRDWEKLUESGXPQ-OAHLLOKOSA-N 441.578 1.697 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 804454874 AYXCBJAQGHWGPO-ZVDOUQERSA-N 430.501 1.700 30 10 IDEE C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCSc2ccccc21 831242994 BCXXSARRWMLLCX-ZDUSSCGKSA-N 445.522 1.796 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)c1cc[nH]n1 858082086 YISHPNSCSFEZTJ-MRXNPFEDSA-N 427.461 1.646 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 919115594 NRVDBUXEDFPZEE-SNVBAGLBSA-N 432.296 1.261 30 10 IDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cn1 1083900683 FQCTVWNASPGIRK-UHFFFAOYSA-N 444.481 1.854 30 10 IDEE CCCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccccc1Cl 1134276049 QVBWYCQCIPUHLS-DJJJIMSYSA-N 433.921 1.884 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)c1 1151181725 FFKFIEGFEDFKFA-OAQYLSRUSA-N 438.546 1.971 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)c1C#N 1160493526 JLEGXITXUUVEAP-HNNXBMFYSA-N 432.278 1.916 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)C(C)C)c1 1286307864 BUSIOAIBOYJEAB-HSZRJFAPSA-N 440.548 1.880 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286321194 LAWDDIUWHWJJFC-WIYYLYMNSA-N 438.580 1.471 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286395279 ZIRJVNHNZSNJQK-PBHICJAKSA-N 437.591 1.543 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC(C)C 1286442264 SDJKPDGXIYFHBR-UHFFFAOYSA-N 441.561 1.918 30 10 IDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286711124 JNUPTRKCKQVFNL-UHFFFAOYSA-N 439.520 1.762 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1286788635 AJOBYZUFIBGKRN-UHFFFAOYSA-N 439.564 1.115 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCCS(C)(=O)=O 1288964664 FZIJHOFLBQPECL-LSDHHAIUSA-N 437.497 1.721 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300486773 AXKSGMCKOLQUTE-QGZVFWFLSA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1300489347 MOOYSKMLXMNBQH-SFHVURJKSA-N 449.964 1.751 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1300696371 ZWTNIDABGPDMOQ-KDURUIRLSA-N 438.580 1.378 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1301314458 WYFKLOOIYKTSKB-ZDUSSCGKSA-N 433.600 1.256 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@]2(CCCOC2)C1 1301586607 OEOROJMCVDRTKX-OAQYLSRUSA-N 431.562 1.872 30 10 IDEE CN1CCN(C2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)CC1 1309777539 FJNLIENNEWUWFM-UHFFFAOYSA-N 427.368 1.721 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1309798312 YOMWZHBKAFESSX-LJQANCHMSA-N 436.530 1.204 30 10 IDEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1310076331 WKSULUXLPMCRJP-INIZCTEOSA-N 438.550 1.059 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1316262507 BCUZRCQGIHOHJD-IBGZPJMESA-N 438.532 1.975 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1316296675 BCOHNSRGWPQLFK-HBMCJLEFSA-N 440.548 1.841 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1316296938 DUCAOQKSKMZOOH-AKYGZRSFSA-N 445.495 1.778 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(COC2CCOCC2)c1 1318514786 DBOCZNZTFULRKR-QZQOTICOSA-N 428.489 1.708 30 10 IDEE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1324631326 HCUYXVMLVVCXES-PBHICJAKSA-N 434.452 1.841 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1339659387 ONMGNHOTWWDICL-UHFFFAOYSA-N 428.517 1.816 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358939767 FGTWMKDZURHXMN-WMZHIEFXSA-N 446.596 1.331 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358966940 ABNHPYGVYWMKNS-QZTJIDSGSA-N 435.594 1.631 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1358978496 OIKAFLWDURWNLO-DLBZAZTESA-N 449.577 1.556 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1359028842 GESCVUBBCQDPNR-UHFFFAOYSA-N 430.578 1.287 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359054418 VGLGQGWONDDQCP-IBGZPJMESA-N 439.589 1.449 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359055178 VLSQJAISOALIKZ-UHFFFAOYSA-N 440.577 1.829 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCS(C)(=O)=O)C1CC1 1359096370 ALYCUBAIWGDSJO-KYJSFNMBSA-N 437.566 1.224 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](OCCOC)C1 1359296911 YSYPECXEKBZQGC-INIZCTEOSA-N 429.477 1.218 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)C2CCCCC2)C1 1359319551 BBDTXKVEKRVEIV-ZWKOTPCHSA-N 430.553 1.802 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346919 ZOPQHSISHBUUJO-OXJNMPFZSA-N 437.566 1.879 30 10 IDEE N#Cc1cn(CCC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)c(=O)nc1O 1446490420 GAVSWGBSFZLNEE-SFHVURJKSA-N 433.472 1.493 30 10 IDEE COc1ccc(CNC(=O)Cn2nc(Br)c(Br)n2)cc1C#N 1455200860 NVHJXZAMZXMWNX-UHFFFAOYSA-N 429.072 2.000 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)C2)C1 1455497593 VRVLNFWNEKAZSA-DQLYFJKKSA-N 440.566 1.171 30 10 IDEE CCc1ccc([C@H](NC(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c2cccs2)cc1 1459187057 NEWPBFSETALZHZ-FQEVSTJZSA-N 438.509 1.404 30 10 IDEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OCC 1468126298 SWAAPHFKVQPZAI-QGZVFWFLSA-N 440.518 1.344 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)C2)c(=O)nc1O 1469974399 HFMYZSNISNIISM-DZGCQCFKSA-N 430.262 1.705 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1472256025 YLBYBNCCCSPXRJ-SFHVURJKSA-N 429.498 1.783 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCCC2)n1 1492753595 CSXFGFMVKGNYPJ-PMACEKPBSA-N 426.569 1.989 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1494544787 DPPYWTUVCHLCRG-APWZRJJASA-N 443.577 1.381 30 10 IDEE CC[C@H](C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1495057663 MAGKIYOEDHFLPY-HJUNTIBCSA-N 438.554 1.187 30 10 IDEE CC[C@H](Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1)OC 1497281540 AZXXVFRRQHLABZ-HZPDHXFCSA-N 437.504 1.829 30 10 IDEE COc1ccccc1-c1nnc(N2CC(C)(OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1504374830 ALYXPCKWBFMJHA-ZZEZOPTASA-N 438.488 1.705 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(F)(F)CO1 1504887576 YFOFZDPHEVIYJG-CYBMUJFWSA-N 438.435 1.796 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1505049109 VATNTMASFSTVFW-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(O)CC2)CCO1 1505321442 QOHUDRODJVJIAG-LJQANCHMSA-N 441.492 1.429 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507637037 GFHSOXJXIBXVFS-WOJBJXKFSA-N 443.573 1.871 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2(O)CCCC2)n1 1507717618 WWISZKVNNDXHKC-LJQANCHMSA-N 428.537 1.917 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1507721095 YFXOZCYPHOCXAP-WMZHIEFXSA-N 445.564 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1507800384 VJEYWCZVJZOLID-HBFSDRIKSA-N 433.553 1.448 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1507831744 DHQDHGZSDMDRPA-GOEBONIOSA-N 435.554 1.331 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1)C1CC1 1507993927 VXAQWBUBOAPABG-SFHVURJKSA-N 432.550 1.518 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1508015176 MILJMMYNBWJPGH-NRFANRHFSA-N 431.562 1.594 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1508095372 NYBNOLIVNTXDTI-UHFFFAOYSA-N 444.580 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508140175 GPUWGKYXSVRFFS-MGPUTAFESA-N 439.582 1.471 30 10 IDEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1508161419 DOUBPYFZKCWXRI-MRXNPFEDSA-N 444.536 1.074 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1508421049 SZHNXTWTVDNAKQ-ZDUSSCGKSA-N 425.449 1.625 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1509951334 GLJLESUPERPKNL-MRXNPFEDSA-N 446.581 1.625 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1NC(=O)CC1(C)C 1516538764 LBXDATXQPBSQFS-INIZCTEOSA-N 425.493 1.264 30 10 IDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)cn1 1518264719 BUJYOIIRHDXJRZ-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)cc1 1528773961 RJVJIEOQRGBVIO-UHFFFAOYSA-N 439.540 1.944 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C1CCOCC1 1532934147 LQGPZDQWELXFBJ-LJQANCHMSA-N 448.541 1.419 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCOC2)c1 1539043350 PAJWUQLEOGNMFC-MJGOQNOKSA-N 436.516 1.712 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NC 1539416234 LXZLVYHYGJKFII-SFHVURJKSA-N 427.505 1.649 30 10 IDEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539968169 XJNZYOMBTZLGBM-KRWDZBQOSA-N 430.553 1.456 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1540033605 MXMSNFXFMNJOTN-KRWDZBQOSA-N 429.500 1.683 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1540073789 SYWURWAMCFOXIR-GOSISDBHSA-N 433.578 1.791 30 10 IDEE C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1540591319 VCNKHKNLGLAQTI-YOEHRIQHSA-N 447.536 1.936 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 1540602648 ARFPDAWKHHBLLO-UHFFFAOYSA-N 439.277 1.654 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1540863154 QFVHYQPWSAFOJT-AOMKIAJQSA-N 445.495 1.855 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1540871223 GZWBXCQYKZHUCC-HOTGVXAUSA-N 444.502 1.795 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nccs2)C1 1540872938 GPJJODLQOWCLQQ-MRXNPFEDSA-N 425.518 1.601 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOC)C1 1540883491 AQWBIZAHAURZAB-MRXNPFEDSA-N 434.566 1.974 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1541117508 HPEAUIOQZAOPMI-HNNXBMFYSA-N 435.525 1.544 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1555628399 HHAVYRRFTZOFPV-HNNXBMFYSA-N 427.509 1.674 30 10 IDEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1555723124 OJKHGPHYORBEIL-LJQANCHMSA-N 426.521 1.643 30 10 IDEE CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555935360 VYGICCLATYCZJZ-ZDUSSCGKSA-N 448.574 1.468 30 10 IDEE CS(=O)(=O)C[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556808189 BNZVGHHBXHSIJA-DOTOQJQBSA-N 432.502 1.046 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1cncc(C#N)c1 1558450558 XYIUPLGNUSRCNB-GOSISDBHSA-N 430.486 1.299 30 10 IDEE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCCN(O)C1=O 1569676170 OIXACIVHBHIZDT-QWHCGFSZSA-N 429.260 1.695 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)c1cc[nH]n1 1584562459 KOHUNWBTSROMFU-HNNXBMFYSA-N 449.508 1.742 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1587497904 HRTJYYQWAFVXLU-KSFYIVLOSA-N 432.521 1.474 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H]1c1nccn1C 1587767954 XJOFPHQCUJDHBB-PMACEKPBSA-N 440.479 1.068 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1588050679 ULOCHQAXCQNVFS-KRWDZBQOSA-N 437.635 1.610 30 10 IDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1588131470 FJPHCEXGGCGXLB-UHFFFAOYSA-N 426.498 1.899 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1588628742 OGSQVYDFYLRBMB-KRWDZBQOSA-N 434.500 1.623 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@H]2CCC(=O)N2)n1 1588722350 ADLBUMFTIKNWGJ-LJQANCHMSA-N 433.516 1.706 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1589060799 YVXRPDROINAXTE-ZIAGYGMSSA-N 430.500 1.668 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1589662822 BYZWUCRKVJDECU-HZPDHXFCSA-N 429.612 1.767 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1594004121 UNFOJLRYUWXYLW-IAGOWNOFSA-N 440.976 1.545 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1594829951 RDGFALGUTGWVFJ-DMUMMCEESA-N 433.553 1.842 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C)c(C)s1 1595303535 UWGKOGPGBIVZGE-HNNXBMFYSA-N 425.580 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)[C@H](C)C1 1595490148 NTIISALFXPAELZ-LLVKDONJSA-N 436.314 1.005 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(C(N)=O)c2)C1 1595680098 GDEXGPSYTSZPGF-XXBNENTESA-N 441.532 1.859 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CCOC1 1610350195 SWOKCOSBISRAKR-DHIUTWEWSA-N 441.532 1.978 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1610997819 RCAPIXAATOPOMZ-MAUKXSAKSA-N 449.533 1.323 30 10 IDEE CC[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)N1CCCC1 1613660021 KZIZNACYKVUTSG-KNKQGSTJSA-N 432.569 1.922 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1617442750 IKEDDDIZYASBLY-UKPGIYTDSA-N 442.545 1.356 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(COC)CCOCC1 1618761584 DLCBNSPSLURDKP-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE COc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1619303077 FSMFWWWBPUQIKP-FHLIZLRMSA-N 426.477 1.434 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC(c2ccc(C#N)cn2)CC1 1620450428 SPUWFWQQMRCWIL-UHFFFAOYSA-N 429.502 1.427 30 10 IDEE Cc1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1624440291 GSPUHUDVMWFWAF-UHFFFAOYSA-N 427.354 1.331 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](C(=O)Nc4cn[nH]c4)C3)C2)C1 1624618529 CHTUQVPXZGFMJU-BITMVSNFSA-N 442.520 1.984 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)c1 1625957588 RZKWJXYZPAFMPF-KRWDZBQOSA-N 438.596 1.574 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3-n3ccnn3)CC2)cc1 1629484686 BZDFABFYIBSLPM-UHFFFAOYSA-N 428.499 1.347 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1630585347 MIVIZLOKTCRDDI-SJLPKXTDSA-N 436.383 1.742 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC(=O)NCc3ccccn3)C2)C1 1631510821 GMDSVRHWOYTWRL-BNGSBABLSA-N 441.532 1.991 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1631734037 HINLJOKKCSWAJK-UHFFFAOYSA-N 425.489 1.248 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(OCC(F)(F)F)nn1 1632575807 RNFRTYNWTQQJMX-LLVKDONJSA-N 443.407 1.273 30 10 IDEE C=CCNC(=O)CNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1632773233 KYKGRNLBZBZZBL-UHFFFAOYSA-N 435.480 1.401 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cc(Br)ccc2F)CC1 1632960128 ADVOPDHIALCCOJ-UHFFFAOYSA-N 432.315 1.133 30 10 IDEE C#CC1(F)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1633366158 XZGMPOCAUAZZNR-UHFFFAOYSA-N 441.912 1.137 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1 1636480868 YKSSXDDZAJFWCC-UHFFFAOYSA-N 442.541 1.061 30 10 IDEE CSC[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1639989118 KEZWWHYSSSWDDJ-KCQAQPDRSA-N 432.571 1.993 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1643854654 QLXKHQGNYWQBKL-GVHZTDSRSA-N 438.571 1.252 30 10 IDEE N#Cc1cn(CCC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)c(=O)nc1O 1644408552 KKXBTLIHOYEFAK-CQSZACIVSA-N 446.261 1.043 30 10 IDEE C#CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CSC1 1645212267 KZILHOFBGFQJNY-BMFZPTHFSA-N 428.576 1.234 30 10 IDEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)C1CCOCC1 1645987762 URIXURCOCUOMCM-MSOLQXFVSA-N 440.949 1.418 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C2 1646251190 USTLEIXYPUOBRA-GNJLHFKMSA-N 449.536 1.890 30 10 IDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CCC1 1648400217 ZWHHVWMWNIODRH-UHFFFAOYSA-N 435.546 1.072 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nccc(Br)c3C2)c1 1648857990 OVXCSNBZXOYCAV-UHFFFAOYSA-N 434.315 1.954 30 10 IDEE N#C[C@]12CN([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1654974730 IJKVDKPICCKZCT-IYJAJMOOSA-N 425.457 1.654 30 10 IDEE Cn1c(N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1655861956 AKFLYDGWBULGHA-RYUDHWBXSA-N 431.415 1.238 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCN(c4ccc(C#N)cn4)CC3)OC2=O)C1 1657041646 HLBXZBQGTIKMRW-KRWDZBQOSA-N 427.505 1.628 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(F)cc2Br)CC1 1660459824 NZXYNHHPMPXMMG-UHFFFAOYSA-N 446.342 1.175 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(CC)CC)CC1 1690135178 QHSYLNVMUCKYQL-GOSISDBHSA-N 443.596 1.210 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690299127 GNSSNTRXWDEIBP-UHFFFAOYSA-N 443.552 1.725 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1690465148 SYXPHHNSNTWHBI-FXAWDEMLSA-N 441.598 1.973 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690469089 DFDIDGOIEAVSDV-QGZVFWFLSA-N 438.598 1.588 30 10 IDEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690504094 YFVGVUCEQXPPGI-UHFFFAOYSA-N 438.532 1.465 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CCOC)C1 1690663194 PAPVOODULAHCSF-INIZCTEOSA-N 447.561 1.514 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1690947732 FWGINNZICZCQEO-QHCPKHFHSA-N 435.532 1.648 30 10 IDEE CC1=CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1693296593 DTYNMHMMSCFONY-QGZVFWFLSA-N 432.506 1.280 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C)COC1 1694328566 DHQNDCHJMLWWAT-UHFFFAOYSA-N 439.520 1.768 30 10 IDEE CCSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1696564911 XTGWJLAZQDBONY-KRWDZBQOSA-N 440.577 1.966 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1705595862 JBROFYWTYBWTBB-KRWDZBQOSA-N 434.500 1.316 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@H]1OC 1705623675 ZTHGLDRDMVIPKX-PKOBYXMFSA-N 429.477 1.991 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1705628432 GPQKCEMWRGHXNL-DLBZAZTESA-N 430.530 1.442 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705629320 DNBLQKHHECEFEB-LJQANCHMSA-N 449.552 1.518 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1CC(=O)N1CCOCC1 1705630782 GUAONFVDWIQPQZ-UHFFFAOYSA-N 427.505 1.110 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705688343 QGCCWCWSYRZPNQ-UONOGXRCSA-N 448.387 1.599 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705829211 KOQVJCCRVDOCKY-GOSISDBHSA-N 442.495 1.814 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705912506 MCRBEDXIKNLXSM-DLBZAZTESA-N 445.545 1.466 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1705918351 HRNBKHAWWYAWPL-PBHICJAKSA-N 428.468 1.854 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@@H]1C 1706420131 DOVZFOPYHUPXPU-IBGZPJMESA-N 438.580 1.791 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOCC2)CCOC1 1706671344 DMONCZIRXZPCRG-LEWJYISDSA-N 436.532 1.483 30 10 IDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)NCC(F)F 1709136920 BYABMFGUPXIEJM-UHFFFAOYSA-N 434.451 1.285 30 10 IDEE Cn1ccc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)n1 1711258663 ALESYKJBRXPTOK-IBGZPJMESA-N 439.545 1.806 30 10 IDEE CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712822302 HLCIOYAIWNEDPW-UHFFFAOYSA-N 428.566 1.763 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722315962 XFJRDXHDPSUSHH-IAGOWNOFSA-N 446.552 1.763 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722359681 ABPLTPHUIXGRRT-AEFFLSMTSA-N 444.561 1.272 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722369811 HHNXUVJZTUVURC-RTBURBONSA-N 437.610 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccco1)N(C)C 1722377304 WFCVEGPJHWKNLC-FQEVSTJZSA-N 441.499 1.890 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cn[nH]c1 1722400611 UKUKUXCGCKPBMM-UHFFFAOYSA-N 429.532 1.881 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCC(=O)N2)CC1 1722449421 JHJSCJAFOOLJSJ-HXUWFJFHSA-N 434.544 1.308 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOC[C@H]1CCCO1 1722467237 OZXUMLVULOURBN-SQGPQFPESA-N 439.582 1.466 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1722491244 JBPBHXBXGKERSQ-ZXFNITATSA-N 426.518 1.311 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1722501101 LPRGJVWDFPTESA-LSDHHAIUSA-N 433.600 1.258 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1722507701 IVIVJHHEOHKONY-BJLQDIEVSA-N 433.553 1.796 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722536487 XBMPARYTFCELSP-FQEVSTJZSA-N 437.566 1.008 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1728196253 NEOMVQNHKGDAOQ-GOSISDBHSA-N 438.536 1.639 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)no1 1728523105 HQBQHSPOJXJWNJ-UHFFFAOYSA-N 444.517 1.944 30 10 IDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC(=O)N(C)C 1729055708 GGHWEPLEYPSGEX-UHFFFAOYSA-N 425.537 1.881 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1729232183 BQPCSZBAYVYAKM-OLILMLBXSA-N 447.586 1.600 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1729672424 HLYGKXYIKLPHSR-OAQYLSRUSA-N 426.546 1.647 30 10 IDEE COc1ccc(OC)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1730184858 ACHZQIMLVARCNE-KGLIPLIRSA-N 436.538 1.550 30 10 IDEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730482855 GTLKBDNOBPDXTD-KRWDZBQOSA-N 425.472 1.256 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCCCCO)CC2)c1 1731184826 JKLIONGPZKJATP-UHFFFAOYSA-N 438.536 1.270 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC(F)F)CCN1C1CC1 1731186044 KNGDDWAXKWPJMB-HNNXBMFYSA-N 446.462 1.384 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740624382 GBJFCDLLOMZPIK-QZTJIDSGSA-N 431.587 1.786 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)C1CC1 1740637310 XRPUJUOOQPJVEU-GOSISDBHSA-N 426.546 1.736 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740716670 WMWMSIAFAGTROD-CQSZACIVSA-N 446.606 1.336 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740799645 QTMANHQRYZVQKH-NSHGMRRFSA-N 433.553 1.796 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740963433 KPRLENCXSRWZKW-KRWDZBQOSA-N 433.534 1.091 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740987426 GWJNLRYLQDYKEL-OAHLLOKOSA-N 428.518 1.084 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1740989213 FIDLQALQYDIRFX-UHFFFAOYSA-N 432.550 1.293 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1nncn1C 1740990349 RKRMPPGHDABIGF-KRWDZBQOSA-N 442.549 1.719 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740993884 JOUYOLCMLRXDJI-KRWDZBQOSA-N 447.561 1.433 30 10 IDEE CCS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1747421850 SERLWUVQXYDWBR-ZWKOTPCHSA-N 429.518 1.195 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2cnnn2C)c1 1748692374 GFBSUNVERSZBIB-KRWDZBQOSA-N 434.504 1.405 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1748730678 OYARNQTXRLAHTM-UHFFFAOYSA-N 443.596 1.354 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748756843 XVLWHEVCFVNUEQ-UGKGYDQZSA-N 435.576 1.666 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NCC 1748788295 AIHXPTPYIDYBMK-INIZCTEOSA-N 448.568 1.818 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1748804212 FIDCXTKPTOSHSN-GHTZIAJQSA-N 436.578 1.913 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1748816147 XOYCMEBLVAHNNE-HZPDHXFCSA-N 433.559 1.274 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748819735 SLJPCHCBXBLELQ-LJQANCHMSA-N 428.558 1.719 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCCCO2)CC1 1749001072 GXIKEVQVNXJKQY-SFHVURJKSA-N 430.553 1.341 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCOc2ccc3c(c2)OCO3)CC1 1749015413 VNKIFXSWBDMAHF-UHFFFAOYSA-N 425.489 1.614 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749122446 VYTDAIJLYMIZLD-WMZOPIPTSA-N 436.538 1.208 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSC[C@H]1C 1749668897 GASVRWNLMHZWDB-MRXNPFEDSA-N 442.593 1.696 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CCN(C)C2)C1 1749719608 YAIUZBFXZBKQIW-JPYJTQIMSA-N 443.548 1.714 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1751171195 DJYRWBFPJKWIOF-INIZCTEOSA-N 448.618 1.735 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1760184066 UFVNXOVUOQTMGL-INIZCTEOSA-N 447.561 1.636 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1760185266 UCYDRMQQEQUNOS-KRWDZBQOSA-N 431.562 1.727 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1760204457 QHVUUUSGADLDKG-UHFFFAOYSA-N 434.588 1.976 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCn1cc(Br)cn1 1760206996 TXUDLBZCGNGZMY-UHFFFAOYSA-N 444.337 1.523 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1760219883 RGCITXBAORPFLX-FQEVSTJZSA-N 441.557 1.431 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1760241716 HNVVFJYQOOJORD-PXNSSMCTSA-N 440.523 1.729 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl 1760249282 YQXZQVIMKMHRJJ-UWJYYQICSA-N 431.924 1.876 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCSCC2)CC1 1760264332 IWQJXDPDUQECGG-UHFFFAOYSA-N 440.617 1.970 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)nc1)C1CC1 1760470343 OHCCKZHZTCHIEX-ZDUSSCGKSA-N 433.538 1.445 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760557015 XLHHFAMZARDQGL-CJNGLKHVSA-N 425.580 1.442 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCC(=O)N1 1761241350 ULKLYHVZLXPBEI-MSOLQXFVSA-N 437.504 1.144 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCN(C)C 1761883603 ANQUWRKAMNZSRV-ZWKOTPCHSA-N 441.584 1.747 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1763244400 DZSPBMZNTXHPMH-STGLLQLASA-N 425.518 1.808 30 10 IDEE CCC[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1766347353 FGVUFHVMBAXJHN-ATNYBXOESA-N 426.518 1.414 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1767540505 GJENMVQWYWSARE-QMHKHESXSA-N 438.532 1.973 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1770757292 VLEAEFYOLHOIII-HUUCEWRRSA-N 429.493 1.734 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1=CCCOC1 1771195899 UIDZZXSHMICHRV-HNNXBMFYSA-N 440.504 1.884 30 10 IDEE Cc1nn(CC(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)c1S(=O)(=O)N(C)C 1848515024 NLOWTAYEMVFFRI-UHFFFAOYSA-N 429.546 1.834 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@H]4CN(S(C)(=O)=O)C[C@@H]43)n[nH]2)c1C 1849761000 IMVBGOCSCFDTJS-YJBOKZPZSA-N 432.550 1.572 30 10 IDEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)N3C[C@@H](C#N)CC3=O)c2C)C1 1850798481 HNEATYINEXHTEM-UONOGXRCSA-N 425.411 1.981 30 10 IDEE C=CCN(C(=O)Cn1nc(C)n(-c2ccc(C(C)(C)C)cc2)c1=O)[C@@H]1CCN(C)C1=O 1852598838 YEJJBYKEVPACLL-LJQANCHMSA-N 425.533 1.885 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl)[C@@H]1CCN(C)C1=O 1852960001 OBBMCMYKSCDLGL-CVEARBPZSA-N 425.938 1.738 30 10 IDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)CC1 1853747188 RIEMHONPDQGJLG-KRWDZBQOSA-N 435.521 1.990 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1C#N 1853859508 PMYKLGYEHAJXKG-IBGZPJMESA-N 430.530 1.108 30 10 IDEE CN(C[C@@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 1853949298 XIHBKRYIGPNCIF-JKSUJKDBSA-N 437.949 1.904 30 10 IDEE C=C1CCCN([C@H]2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1854781155 BJSBPBUEHBNHIX-WBVHZDCISA-N 431.514 1.389 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2[N+](=O)[O-])CC1 1860882096 JEXLKXZVHSYAMT-UHFFFAOYSA-N 429.458 1.800 30 10 IDEE COc1cc(C(=O)N[C@@H](CO)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc(OC)c1OC 1867338334 ZACQZUQZFNQEQL-IRXDYDNUSA-N 427.457 1.493 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(OC)c(OC)c1 1869932220 XNTGEOSKLULDOG-MRXNPFEDSA-N 431.514 1.880 30 10 IDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NS(=O)(=O)c1ccccc1 1870097315 HYFCXFWBIAADND-UHFFFAOYSA-N 442.413 1.774 30 10 IDEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN(CCOC)CCOC 1870495737 GDCBANUTSZPXKC-UHFFFAOYSA-N 435.565 1.766 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN3CCOCC3)SCC(=O)N2C2CC2)cc1 1889236264 SOZKDBHDZZORIX-FCHUYYIVSA-N 443.569 1.295 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 1891323602 SRKCVBRZTZPDPY-UHFFFAOYSA-N 446.496 1.593 30 10 IDEE COCCN1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1892044773 RFHWVSZYKBCGTM-RTWAWAEBSA-N 430.574 1.742 30 10 IDEE C#CCN(CC(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1)C(=O)OC(C)(C)C 1984784243 ICPONDVBOCYRSQ-FQEVSTJZSA-N 425.482 1.437 30 10 IDEE C=C(CNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2020858128 XBGCMZIHYUEGHC-LJQANCHMSA-N 444.359 1.372 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060626552 YCRUBMYYKAXVCJ-HNNXBMFYSA-N 433.314 1.693 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065463784 PBBDRENHJXPFJH-UHFFFAOYSA-N 434.342 1.831 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2085301893 WMGPAPAUWYNKNU-HLPPOEQASA-N 437.346 1.696 30 10 IDEE CCO[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2146786131 VILRXQYEDGOBBY-KRWDZBQOSA-N 437.518 1.580 30 10 IDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC12CC(C#N)(CO1)C2 2195260680 WDJDAQBRHVFSBR-APMMTJHUSA-N 436.486 1.632 30 10 IDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2244993621 PLJSTSZZCIFRAV-LBPRGKRZSA-N 435.468 1.799 30 10 IDEE Cc1cc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247928915 HUORBIRCPSGGAY-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE C=C(CS(=O)(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247954055 XSTPDLSDYNNAAL-UHFFFAOYSA-N 446.375 1.465 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2248406015 YFVFEYNNOBBKKL-UHFFFAOYSA-N 435.717 1.923 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248485109 GEDQMJIHBHRIEC-TUAOUCFPSA-N 436.343 1.453 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255619299 ODWHSBTVGMDIFY-AWEZNQCLSA-N 438.309 1.644 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2255634449 RBMUPFSCXVCOBQ-CYBMUJFWSA-N 436.318 1.308 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2255682532 IGPCFQYWEBJNST-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE C=C(CN(C)C(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2256668460 AUBVSMIAJKMRQE-OWCLPIDISA-N 440.346 1.364 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267504818 YEDSCTYTHXUTJQ-GASCZTMLSA-N 446.357 1.943 30 10 IDEE COC(=O)C1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CN(C(=O)OC(C)(C)C)C1 2267562834 HORCCRWYXHQVJK-UHFFFAOYSA-N 449.313 1.206 30 10 IDEE CC1(C)OB(c2ccc(O)c(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c2)OC1(C)C 2267804095 QRJTYIBGDKSCSW-UHFFFAOYSA-N 438.333 1.668 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2272649784 FNZOSEWPYCLMAG-PEBXRYMYSA-N 444.341 1.763 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CO)CC(F)F)cc2Cl)OC1(C)C 2282837889 YANCGBISKBJGOT-QMMMGPOBSA-N 431.719 1.995 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2299050691 KGZFKFOUZNSTMB-CQSZACIVSA-N 446.375 1.475 30 10 IDEE CC#CCN(CC(=O)O)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2300564184 BKGGBCQSZYXBQG-KRWDZBQOSA-N 432.473 1.950 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2334263818 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1.935 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481983899 SVHFZRSZTDWBDK-CQSZACIVSA-N 428.539 1.050 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 482260308 GNCIAPVNUVNZOI-OKZBNKHCSA-N 442.472 1.332 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 506186545 AVAZKFBFCCNMCO-HSZRJFAPSA-N 428.533 1.709 30 10 IDEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 508835550 SQIKPNCNIBBMKN-CVEARBPZSA-N 429.498 1.815 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508908559 UHWKFUNNTZYVDX-FQEVSTJZSA-N 447.628 1.614 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 508915723 YQLWJMAUDJZDEH-CRAIPNDOSA-N 449.533 1.073 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)C)CC1 514743601 JQYPCDRZTSYSFD-UHFFFAOYSA-N 427.509 1.934 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)N3CCCCCC3)ccc2OC)C1=O 523027139 YOLQMYDTDMNPLI-UHFFFAOYSA-N 442.472 1.627 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(CO)c(F)c3)CC2)cc1 536065247 LVXOGDNANFEVLD-UHFFFAOYSA-N 432.477 1.406 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 542421818 IQGVSUFHRQPZDJ-INIZCTEOSA-N 426.477 1.630 30 10 IDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 549705943 OMQINSLTLQHLKI-KRWDZBQOSA-N 445.593 1.899 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 568773053 MNWNZVAWCHJMKS-SFHVURJKSA-N 430.534 1.695 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 578458495 PPBRFPRPHAMORS-UHFFFAOYSA-N 428.186 1.397 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C)c(C)c1 603801675 FWJNPDMLXQUIMV-UHFFFAOYSA-N 433.533 1.782 30 10 IDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 609596778 ZGSQIXRYINYKGV-UHFFFAOYSA-N 430.486 1.650 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2I)CC1 609843465 GWHYYBOVEVUWRX-UHFFFAOYSA-N 428.274 1.743 30 10 IDEE Cc1ccc(I)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732155422 ANUHHESKWQOXLX-PEZBUJJGSA-N 425.226 1.856 30 10 IDEE C=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)OCC 734027937 XANAHZQCBFMMPZ-UHFFFAOYSA-N 439.486 1.521 30 10 IDEE C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 740737842 LBGDEKBXDYZXEO-UHFFFAOYSA-N 432.590 1.755 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 753820729 RCFWPHRSJMZWOA-UHFFFAOYSA-N 445.317 1.188 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@@H]3CCCO3)c2=O)c1 763437027 XWWRTYCNJWPDKJ-SFHVURJKSA-N 434.521 1.569 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)c1 765546211 XVMRQROJLMYZCK-GOSISDBHSA-N 428.562 1.928 30 10 IDEE Cc1ccc(C#N)c(N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)n1 766400601 WHZCJCYWKHKRQK-UHFFFAOYSA-N 434.543 1.485 30 10 IDEE C#CCN(C(=O)NCCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 774177450 JCKSLBSWGLAGIP-OAHLLOKOSA-N 442.335 1.610 30 10 IDEE C#CCN(C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)[C@@H]1CCS(=O)(=O)C1 793153149 FNNYKHLRTZFFGL-QRVBRYPASA-N 441.509 1.227 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 795434432 BERGRWDQJJTFPK-UHFFFAOYSA-N 430.480 1.924 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)NC3(C#N)CCCCC3)CC(=O)N2C(C)(C)C)cn1 796418271 ONUHKRITZGYCBA-LPHOPBHVSA-N 429.521 1.994 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ncsc3Br)CC2)o1 805709465 LBRRQWMROCPCIZ-UHFFFAOYSA-N 440.279 1.579 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@@H](CO)c2cccnc2)cc1 806220203 VIJCHSICDZZZBE-WGCOJADFSA-N 431.518 1.792 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 914961893 FRYHWQRKCNOHIJ-YNAXMUEKSA-N 427.548 1.801 30 10 IDEE C=CCN1C(=O)COc2cc(NC(=O)Nc3ccc4c(n3)N(CC=C)C(=O)CO4)cnc21 1088738929 FFWPRSNLAIMDDI-UHFFFAOYSA-N 436.428 1.943 30 10 IDEE C=CCC1(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CCC1 1141242291 WCXCGHDKAFXJPB-UHFFFAOYSA-N 434.562 1.498 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)CO 1143511255 ZFUSFUJIOKLVLM-QGZVFWFLSA-N 433.534 1.115 30 10 IDEE C=CC[S@](=O)(=NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccccc1 1158670657 WKYQAJDOZFOFID-WJOKGBTCSA-N 441.513 1.961 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3nc4ccccc4cc3Br)C2)c(=O)nc1O 1159489847 IZNTVRYABTWNFU-UHFFFAOYSA-N 426.230 1.828 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCc3c(sc(N)c3C#N)C2)CCS(=O)(=O)CC1 1179874544 ATFCGSHTXYMACF-UHFFFAOYSA-N 439.559 1.623 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1 1213638956 KKLRZQSPJUGDGO-QYZOEREBSA-N 449.573 1.423 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(OC)cc1 1286272260 AOMBUQXIZRPWIA-HRCADAONSA-N 435.550 1.822 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1286285442 MVYHRLWQAVDMKE-VLIAUNLRSA-N 429.550 1.174 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286335072 DHWKZDWDJPMWRR-UHFFFAOYSA-N 443.596 1.354 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1286472325 GLVKIJNIMGVYIX-YADHBBJMSA-N 445.589 1.655 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1286757853 XKCTZGCHGZPFBZ-GOSISDBHSA-N 439.545 1.988 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1=CCCOC1 1288161740 PRIXPGNQOGMXEX-UHFFFAOYSA-N 449.559 1.957 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)C1 1288974052 AXNKNHDHUWUYNX-FQEVSTJZSA-N 434.566 1.469 30 10 IDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)c(=O)n1C 1289665055 DXTIAHJOKVQGTN-INIZCTEOSA-N 431.500 1.539 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOCC(F)F)n1 1290647224 VHZMALXZESZEQI-GOSISDBHSA-N 448.522 1.988 30 10 IDEE CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1292489446 XRIXVSVERYSCFO-XENKUQMPSA-N 449.515 1.346 30 10 IDEE CCc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1293121835 IVMLPJGYAYRKTG-MJWGMMHASA-N 429.525 1.060 30 10 IDEE C#CCSCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1293737338 IVUVGULUSAZINX-HXUWFJFHSA-N 428.551 1.817 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1296238894 FEODVAAFAFZLBU-UHFFFAOYSA-N 439.568 1.558 30 10 IDEE CC[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1297813191 JHLXBDOZLCZBLF-RKNMQBBYSA-N 426.546 1.741 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300769952 MRCKDAPVSSSAKC-QFIPXVFZSA-N 436.541 1.954 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(N(C)C)c2)C1 1301539747 WHSRPEOUHGWIRY-QFBILLFUSA-N 448.593 1.784 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCn2cc(C)nc21 1301806584 LINASVRTEUCLQH-IAGOWNOFSA-N 426.525 1.678 30 10 IDEE C[C@](CO)(Cn1cnc2ccccc21)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1305327975 YDBVMQFCWAFILI-OAQYLSRUSA-N 441.513 1.032 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1306505017 HFRVWIZQQKTUBE-FZFLATATSA-N 429.525 1.252 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 1318892844 CPCKINNVDLLPIR-UHFFFAOYSA-N 434.543 1.172 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1358937974 MYFDIXGOQIRESK-UHFFFAOYSA-N 444.923 1.180 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1358956321 DKQOCWGAUWQTCN-LPHOPBHVSA-N 442.969 1.698 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1358960827 MOZGDKBPNKXNSS-OXJNMPFZSA-N 445.570 1.869 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2OC(F)F)CC1 1359035130 LVTUSKUKGDSRSN-KRWDZBQOSA-N 444.486 1.829 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccnc(OC(F)F)c2)CC1 1359038411 VIUJFTSUHWEZIL-UHFFFAOYSA-N 445.474 1.200 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOCC(F)F)CC1 1359044051 SPICVESYGYPLFG-UHFFFAOYSA-N 433.463 1.373 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1359270245 HQYKDMTZADWUKJ-UHFFFAOYSA-N 431.566 1.895 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359471445 SILBSDFGIGHOPL-NUJGCVRESA-N 444.565 1.535 30 10 IDEE CN1CCO[C@@H]([C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1447133830 APXOFYYNGANQDU-SJLPKXTDSA-N 431.880 1.052 30 10 IDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1455945282 PLLWLDXNXMDZAX-UHFFFAOYSA-N 425.938 1.188 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1460229429 FJHXIFDPAVOZSE-QZTJIDSGSA-N 433.530 1.494 30 10 IDEE CCN1CCN(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)CC1 1472064624 SIDXJBQVLCBUKE-OTQYULQBSA-N 431.581 1.622 30 10 IDEE COC(=O)c1cccc(CN2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)c1C#N 1473690040 WUROOVSXIDROBM-UHFFFAOYSA-N 428.489 1.656 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@@H](C)O1 1504710427 AQTQGLQHJQORQB-UZLBHIALSA-N 436.520 1.818 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C(C)C 1507539866 XXAWKDHPDJHWRW-BZSNNMDCSA-N 441.598 1.520 30 10 IDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507633324 FWJJWVUEYJVAKP-QAPCUYQASA-N 446.529 1.188 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507679689 PKDJFGDBDSTTQN-ZIAGYGMSSA-N 436.504 1.232 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOCc2ccc(OC)cc2)CC1 1507731799 PINVICFEOFCOBY-FQEVSTJZSA-N 425.533 1.763 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1507733265 RLUUQXVZTUWEHI-SFHVURJKSA-N 432.569 1.969 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507737874 GPAMKTBRBNZANB-UHFFFAOYSA-N 427.597 1.147 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CSCCS2)CC1 1507738775 YERRPWYIWDUSAI-MRXNPFEDSA-N 443.602 1.550 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1508078640 FOMUNAKJSVNIAJ-SFHVURJKSA-N 447.561 1.659 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C 1508099165 VKWAWKMUEGGBNC-OALUTQOASA-N 431.629 1.873 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](C)C1 1508143922 LHHKUASUXAABND-OKILXGFUSA-N 425.580 1.848 30 10 IDEE CC(C)CSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1509492566 VVNTYQASNSXHKY-CVEARBPZSA-N 444.627 1.739 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1516219949 DXRISUDYZXVZED-LAUBAEHRSA-N 444.467 1.437 30 10 IDEE CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1516816598 ZZZQLGNQFBFRBA-UHFFFAOYSA-N 431.566 1.505 30 10 IDEE COCC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1518891386 AZSSDPNTNXJJJA-UFVMTTLYSA-N 444.536 1.561 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1521129234 IWQRMQMVJQXLCT-MJGOQNOKSA-N 440.504 1.427 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCCCO)CCN1C1CC1 1521136036 AFFDEHUVRQLSMK-KRWDZBQOSA-N 443.577 1.609 30 10 IDEE CN(CCc1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1532603904 XRRWWUWZOIIQNS-UHFFFAOYSA-N 433.555 1.884 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(F)cc(C#N)c3)cc2)CC1 1535371310 AURISNPFLBFKKO-UHFFFAOYSA-N 430.461 1.802 30 10 IDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1535552209 AKLLQUNAYTWZDI-ZDUSSCGKSA-N 447.376 1.772 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@@H]3CC3CCOCC3)C2=O)cc1 1537360558 XFMSHBJNMVEHOC-VQTJNVASSA-N 440.500 1.807 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1539072332 PMEIDZYDCLDRFD-GOSISDBHSA-N 447.605 1.965 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CCCCC1 1539273096 KJPMCRYTGMJQCO-UHFFFAOYSA-N 438.576 1.508 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1540187122 LKCPMTYMAUKTCU-MRXNPFEDSA-N 435.550 1.533 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540874922 WEPAGJBTNSEKKX-IBGZPJMESA-N 440.548 1.820 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccc(OC)cc2C1 1540876988 HZWVUIGWGKRHFZ-UWJYYQICSA-N 441.532 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CC 1540901828 QOWMTUMTPOJAKA-UHFFFAOYSA-N 430.534 1.639 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1540917489 XUIANXFZHLNUKK-INIZCTEOSA-N 441.623 1.581 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1C1OCCO1 1541907745 DIWIJRCHVJBFSM-CABCVRRESA-N 448.549 1.720 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)C1 1541990806 NOGUEKZQCFBYNG-SQGPQFPESA-N 437.566 1.506 30 10 IDEE Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)n1 1543003807 IBYWSRVXBMGDTP-LJQANCHMSA-N 433.520 1.955 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)CC2=O)cc1Cl 1544604923 PFPJJOCVHWYGRD-VFGMZZLHSA-N 429.864 1.059 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CN2CCOCC2)CC1 1546099232 ZXNRIRKCCNZGGB-INIZCTEOSA-N 431.961 1.708 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C 1547710814 BAEFFNRYDWYYLP-AEFFLSMTSA-N 428.562 1.782 30 10 IDEE CCOC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1547793850 AAJRWYLBTVBDSQ-MSUUIHNZSA-N 445.524 1.381 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CCN1C1CC1 1555992765 BIXUCDWLCCUTNL-HIFRSBDPSA-N 446.449 1.876 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](n4ccnn4)CC3)CC2)cc1 1557702268 BIEPRBVSXYMZFX-LJQANCHMSA-N 442.545 1.804 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1558329967 WHZPUSNDMYFCRS-HXUWFJFHSA-N 431.558 1.504 30 10 IDEE C=CCn1cc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)nn1 1585550384 DKWOVYCFPYBCTI-IBGZPJMESA-N 431.518 1.526 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1588140669 ZSQXSIXZLAEBAI-YLJYHZDGSA-N 440.525 1.688 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1588386459 PEMLNYXLURUUBX-LJQANCHMSA-N 447.561 1.540 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1588581265 MCGKUQDFDKCXNM-QIJUGHKUSA-N 434.537 1.354 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](CC)OC)CC1 1588761769 AWHMCBQCMYQTBW-SFHVURJKSA-N 431.562 1.529 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1589070090 QJYHCGQDMFRWKK-XHSDSOJGSA-N 439.607 1.070 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1595297442 POUMWTLTYGKXLI-FQEVSTJZSA-N 438.576 1.967 30 10 IDEE C=CCn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1595452992 HNQDMCFUPXBSPH-JOCHJYFZSA-N 434.585 1.497 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595799302 YOQUGXGUNLWAHH-HZPDHXFCSA-N 446.595 1.134 30 10 IDEE CC(=O)NCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1596756208 LBHMPJYXNQBTJP-IXDOHACOSA-N 447.540 1.304 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCN1CCCC1 1608580019 VFJBCRZHEIOVIL-FQEVSTJZSA-N 442.612 1.859 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612895541 PPFQDGWLOBINMK-ODWJBGSXSA-N 430.509 1.312 30 10 IDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1614577196 MHYJNAZYEHRAMT-HXUWFJFHSA-N 426.521 1.975 30 10 IDEE 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CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 1634108105 IBAXNGXCXAWAGN-SJORKVTESA-N 448.568 1.261 30 10 IDEE Cc1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1S(=O)(=O)N(C)C 1636020473 BMANMOKBYZERQV-UHFFFAOYSA-N 435.527 1.671 30 10 IDEE C#C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1 1638916637 GRBIKNGMIIVULY-FQEVSTJZSA-N 427.526 1.938 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](c4cc(O)nc(O)n4)C3)C2)C1 1640605505 SMSFOWBYUHAAFV-XCARKKJVSA-N 443.504 1.991 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(I)cnn1C 1644214112 JKXJAFNURLADIN-LBPRGKRZSA-N 446.289 1.948 30 10 IDEE CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648499452 AGOHIYNOEFMCFA-ZJNRKIDTSA-N 425.532 1.430 30 10 IDEE C#CCCN(CCOC)CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 1654335702 UMJWAQUQGFREOP-UHFFFAOYSA-N 433.574 1.722 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 1657128342 BBXUCRPBKZYCHV-UHFFFAOYSA-N 427.592 1.701 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 1665528743 LNJUCCHPKOAVLF-UHFFFAOYSA-N 427.452 1.681 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1689965999 IILLEVOJIWURKN-IEBWSBKVSA-N 431.562 1.561 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689980930 ZQUVSLOMGVRXPP-ROUUACIJSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1689989920 JTVMKFOQSONOMD-QZTJIDSGSA-N 437.610 1.734 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1690011783 CUYZVTXYDUHBDG-UHFFFAOYSA-N 437.529 1.095 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[S@](=O)CC)CC1 1690114609 AHOVBVINUPNJFN-WJOKGBTCSA-N 437.573 1.859 30 10 IDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1690157413 GKLWNKJBUQFUHE-GFCCVEGCSA-N 437.367 1.724 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690178998 KEIFLENYMVSMOL-GOSISDBHSA-N 425.562 1.671 30 10 IDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1690507447 MPBXZAJDOBDSLY-HNNXBMFYSA-N 437.504 1.096 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690668572 APWZMDRBMCTKIB-KRWDZBQOSA-N 425.537 1.836 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1690670871 LCXRGRJELDFESZ-GBESFXJTSA-N 446.596 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1C(C)(C)C 1690731233 DOTXKIFDHFHVET-KRWDZBQOSA-N 436.582 1.587 30 10 IDEE Cc1ncsc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1692915349 DPNVDZXTTWPVAW-WBMJQRKESA-N 427.531 1.338 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)Oc1cccc(F)c1 1694396990 HFBRJTUIYFHFHF-NJAFHUGGSA-N 428.468 1.955 30 10 IDEE CC/C=C/Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1694992251 COSBWWCJKYFKTN-WHLIDYPQSA-N 441.561 1.740 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2CCN(CCN(C)C)CC2)c1 1705503927 IQJFEFPKQVOIBE-UHFFFAOYSA-N 437.592 1.916 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)[C@H](C)CC 1705612461 HDDIHMPMRIMOIY-ZACQAIPSSA-N 427.571 1.132 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705899943 LNZSSLYYXSMIKB-HKUYNNGSSA-N 425.537 1.189 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1705900627 KJUOFAHKXDERSN-LJQANCHMSA-N 449.515 1.841 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705905655 CECRKTBTHVMMQB-VQTJNVASSA-N 439.564 1.113 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1705906571 JDEMTVQRWGMNSS-UHFFFAOYSA-N 440.548 1.820 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C(=O)OC)CC1 1705908102 HZEVXHFLDJRYQK-UHFFFAOYSA-N 442.520 1.610 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705936235 MEOIVBVFZQHRKC-WWDZGPRUSA-N 439.582 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705938462 ZHGJGDNIXSYEAY-KRWDZBQOSA-N 425.599 1.726 30 10 IDEE 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C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749671482 BYCMCCUAPYQYHK-QZTJIDSGSA-N 444.486 1.697 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)C1 1749698326 TXAONFTZPADSNC-OLZOCXBDSA-N 441.583 1.132 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1749736642 MWDBOHQKKJGGSH-CYBMUJFWSA-N 439.488 1.060 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1749755063 DAEZOVUDAKJUFJ-INIZCTEOSA-N 441.623 1.404 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1750081683 CXPYVGQEVBWMRV-IBGZPJMESA-N 441.532 1.848 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCCC1 1752277537 CLSSTPQOHVNHPN-GOSISDBHSA-N 437.548 1.882 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1760161001 TYFVKKUJACAQCE-INIZCTEOSA-N 428.924 1.846 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1760232810 LZQKYYQQWQGJNS-GOSISDBHSA-N 426.496 1.713 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1760295983 XFNYLVQJZUDKGK-LAUBAEHRSA-N 429.546 1.731 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1 1762697796 BWWHCNGCOKLLAA-INIZCTEOSA-N 435.492 1.077 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768323540 GEIKKLFBOBFUDU-FZEVHQGJSA-N 443.577 1.534 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1769275185 GHMMJGDVFSOODL-QUCCMNQESA-N 428.512 1.960 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1769302129 GAZUAAAKMXJOLE-UHFFFAOYSA-N 442.487 1.413 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1769899657 GPRLMYQOYRHZEX-GOSISDBHSA-N 444.561 1.020 30 10 IDEE COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1770764886 GCHZMTDAYDQZMN-LJQANCHMSA-N 434.504 1.595 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(C(=O)ON3C(=O)c4ccccc4C3=O)(C1)C1(COC1)O2 1772794433 KFHVZQAUBIZOPV-UHFFFAOYSA-N 444.440 1.584 30 10 IDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)C1CCN(S(=O)(=O)C2CC2)CC1 1851775427 GPJMFMQAHHGDMN-LBPRGKRZSA-N 425.942 1.825 30 10 IDEE CN(CC(=O)N1CCOCC1)C(=O)C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1=O 1851900185 DPEBZZHEEFKNNZ-JOCHJYFZSA-N 446.507 1.963 30 10 IDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccccc1Cl)C(C)C)[C@H]1CCN(C)C1=O 1852959280 BUOHXKOGVQXPLV-RDJZCZTQSA-N 427.954 1.888 30 10 IDEE COc1ccc(Br)c(S(=O)(=O)NC(Cn2cncn2)=NOCC2CC2)c1 1853589276 MGYXVAUNUSEXLV-UHFFFAOYSA-N 444.311 1.768 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)COc3ccc(Cl)cc3)C2)CC1 1857020976 YPQOTCJYCWRXCG-OAHLLOKOSA-N 439.921 1.659 30 10 IDEE COc1ccc(OC)c(/C=C/C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 1860727810 HITDMFNSCUTIMM-ONNFQVAWSA-N 432.454 1.750 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1 1867646633 SIISIKOVVRDZQR-ACJLOTCBSA-N 448.435 1.175 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cs1 1889515358 CGJFWFVFFDMDGF-UHFFFAOYSA-N 441.561 1.720 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247826246 QQWXBBCYHTTXCV-GFCCVEGCSA-N 441.359 1.400 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248398429 UDJOLSBMVKBLNU-AWEZNQCLSA-N 435.355 1.975 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248403619 FUEYBJADMDYXID-IUODEOHRSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2254801021 PWCIVTZZSMRLHD-UONOGXRCSA-N 437.321 1.984 30 10 IDEE Cn1nc(C(=O)NC2CC(C)(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255615206 PPQSVKVLUVGPLF-UHFFFAOYSA-N 434.346 1.895 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255623216 KLNJIPAFIVDOMB-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CO)C1 2255813161 MCXYELIUWNFOFC-OAHLLOKOSA-N 436.314 1.633 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(C)(C)O 2256679748 YZZXHNQYOCXMIJ-OAHLLOKOSA-N 435.330 1.984 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 2267549282 YHAPBEUZBMCUMJ-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2267575606 HSDSEFJFRHFHEH-UONOGXRCSA-N 447.345 1.196 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c(O)c2)OC1(C)C 2267681102 CGNZEPOBUWZATJ-IBGZPJMESA-N 442.243 1.975 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2315603160 ZHMMQXGVTGMXKN-UONOGXRCSA-N 434.346 1.895 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(NC(=O)OC(C)(C)C)C1 2315614292 RQODGCQMLUYOGS-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE COc1nc(N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786342 KDERMZMSRBYBBR-HUUCEWRRSA-N 449.357 1.854 30 10 IDEE CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1c(N)nnc1SCC#N 40173427 GRDVGEMESMHLQB-OAHLLOKOSA-N 449.562 1.850 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(-c3cccc(Br)c3)o2)c1=O 109393496 SGEOCPTVWRYOSY-UHFFFAOYSA-N 446.261 1.405 30 10 IDEE CCOc1ccccc1N1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@H]21 254759842 RCLWSVRTJVJDSD-UKRRQHHQSA-N 426.516 1.942 30 10 IDEE CC(C)CN1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 448474533 WJQKCPCZSUWRTA-IBGZPJMESA-N 447.605 1.942 30 10 IDEE N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(Br)cc1 463309170 LRQSMSHSFDEGFW-OAHLLOKOSA-N 436.287 1.703 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 469889893 ALZPGLSTQBJDBW-RLLQIKCJSA-N 445.541 1.759 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508998946 ONZOTCNJZZUMAI-MRXNPFEDSA-N 428.541 1.780 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 519067176 XJRJWPDFHGSPCF-KBXCAEBGSA-N 426.525 1.376 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cs1 522674781 IBYAAABTWMBESJ-OAHLLOKOSA-N 429.567 1.980 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCOc2ccc(C#N)cc2)cc1 531299005 BDPNMPSOBGVBGS-UHFFFAOYSA-N 431.470 1.208 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2OC(F)F)c(=O)n1C[C@@H]1CCCO1 532047295 IGDOMYWUTKZCJF-AWEZNQCLSA-N 449.479 1.248 30 10 IDEE Cc1cc(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 546919782 RXFASUNOZSUWCG-LJQANCHMSA-N 441.557 1.736 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 558906184 RZMDZBLEGGSMKY-IBGZPJMESA-N 445.545 1.263 30 10 IDEE N#Cc1cc([N+](=O)[O-])c(N2CCO[C@@]3(CCOC3)C2)cc1N1CCO[C@]2(CCOC2)C1 569876116 MXYUGXFRCHLBMI-RTWAWAEBSA-N 430.461 1.458 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 577132416 OQQLBXHXGGFZSQ-PYJZQUQOSA-N 429.448 1.475 30 10 IDEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 582153271 MNVWXERUIKJCNX-AZUAARDMSA-N 434.468 1.676 30 10 IDEE CN1CCN(C(=O)C(/C=C2/C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673645 MYHGKUKWMFMLQJ-CGYFSARPSA-N 433.468 1.409 30 10 IDEE CSc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 603797738 GEVPWYWLPSXUIB-INIZCTEOSA-N 441.578 1.592 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 609228895 MLUMVKLHASIZDH-UHFFFAOYSA-N 444.488 1.480 30 10 IDEE Cc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1S(=O)(=O)NCC#N 609413190 ABVUMRQXHODGHW-INIZCTEOSA-N 434.562 1.810 30 10 IDEE CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 615860519 SQODITHQXBDZTG-UHFFFAOYSA-N 433.534 1.769 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2F)c1=O 623010669 SWWFITAFPBTJDU-UHFFFAOYSA-N 431.464 1.148 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(Cc2ccccc2)c1=O 684533949 HIXUIHMXPRAURT-KRWDZBQOSA-N 434.521 1.190 30 10 IDEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCC#N 731247787 HYICXFVLMZEASK-CQSZACIVSA-N 425.894 1.582 30 10 IDEE C#CCCNC(=O)[C@H](CCSC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 733248333 WZDRWMMVABFGOG-INIZCTEOSA-N 445.994 1.581 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCc3cc(C#N)ccc3F)ncnc1-2 745807142 SVWJXVVKEKLVNL-UHFFFAOYSA-N 447.272 1.421 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CC1 747450323 PFHDRMDPZSSIGB-KDURUIRLSA-N 429.565 1.159 30 10 IDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC(C)(C)S(C)(=O)=O 764443094 GROWYDADGWASLL-UHFFFAOYSA-N 449.533 1.210 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(Cn4cc5c(c(C#N)c4=O)CCC5)CC3)C2=O)n(C)n1 766631776 JKCBVWZFOPTZLJ-NRFANRHFSA-N 449.559 1.021 30 10 IDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)N(C)CC 774279114 DTQDAKSYOLWOON-SFHVURJKSA-N 447.605 1.727 30 10 IDEE N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 781995636 VOTGRYASBLBQSJ-IBGZPJMESA-N 442.497 1.960 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 782979751 LBSRELREUUSNDF-MFKMUULPSA-N 441.435 1.693 30 10 IDEE COC(=O)[C@H](OC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(C#N)cc1 786998806 FRSKBVZILSPXPC-AZUAARDMSA-N 429.473 1.029 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ncc(C(=O)OCC)n1C 788163177 GELPOYZNAAKJBN-CQSZACIVSA-N 447.517 1.833 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 788695243 HTWNCDXJYZAAHU-UHFFFAOYSA-N 429.458 1.810 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)n1 788814835 IECUXDQMNKLQSI-PMACEKPBSA-N 444.532 1.473 30 10 IDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1c(Br)cnn1C 789969189 UYPNTFDUIUITID-SNVBAGLBSA-N 439.343 1.659 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCC1(O)CCC1 790012425 TXPPYVFSZFATDG-SFHVURJKSA-N 448.589 2.000 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CC[C@H]2NC(=O)N(c3cccc(C)c3)C2=O)n1 790108033 PNLPLGLUKKSAHH-HXUWFJFHSA-N 437.500 1.705 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)ccc1F 802243947 JPGAIDYXKXCKMW-MAUKXSAKSA-N 426.510 1.588 30 10 IDEE COC[C@]1(C(=O)NS(=O)(=O)Cc2ccccc2C#N)CCN(C(=O)OC(C)(C)C)C1 810518106 ZLQSFDDSEHYELA-FQEVSTJZSA-N 437.518 1.778 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c1 915606027 VUOQHHVRAJAWCK-CALCHBBNSA-N 442.541 1.537 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 920395056 KZVIBSZZTBGYHM-UHFFFAOYSA-N 446.444 1.913 30 10 IDEE CCOC(=O)C1=C(c2ccc(O)c(OC)c2)[C@H](C#N)C(=N)N[C@@H]1[C@H](C#N)C(=O)OCC 1088645855 CMABWIVVRALHQJ-ZJNRKIDTSA-N 426.429 1.509 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1128164977 PXJRENXDJOKGPR-KRWDZBQOSA-N 432.525 1.943 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)c1 1147019999 KKJKNHAFWLNXOO-CYBMUJFWSA-N 437.880 1.850 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)cc1 1163485612 VCWSDPMGZIOUPF-OAQYLSRUSA-N 442.537 1.858 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)c1 1169840306 GMFNHRXLGNCUHJ-UHFFFAOYSA-N 439.537 1.941 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)ccc1Cl 1198573276 MQWPBNOKRUJQCF-GOSISDBHSA-N 443.939 1.768 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)c1 1219690204 BEWBCSULBDGLSN-UHFFFAOYSA-N 449.514 1.648 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@H](CO)Cc2cc(Br)ccc2OC)nn1 1230272666 YDTWHYHGAJKZRA-CYBMUJFWSA-N 438.326 1.886 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@@H]2C)c1 1286307798 AUTZABDYXJRFGB-YQQAZPJKSA-N 444.561 1.601 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286363655 QQWRGOLNCWTVHL-HTAPYJJXSA-N 429.496 1.483 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286393786 SBMKSOFGDCPIGW-FXAWDEMLSA-N 442.589 1.373 30 10 IDEE C#CCN(CCOC)c1nnc(CC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286467630 ZOKAOFQKMUZQAK-OKZBNKHCSA-N 433.553 1.951 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CC)C1 1286503908 HAENBTCTAUUSAX-HNNXBMFYSA-N 444.561 1.867 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286554430 HITOMWHTNLFDSM-ZVDOUQERSA-N 440.548 1.971 30 10 IDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1286604941 QPQNZXVQLXNCSN-UHFFFAOYSA-N 437.342 1.917 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nc(CCOC)no1 1286618831 HXDXYGWWZQZORR-UHFFFAOYSA-N 432.872 1.886 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1)C1CC1 1286738409 UPCUYDOGCHCVLU-ROUUACIJSA-N 437.610 1.836 30 10 IDEE C=CCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286777601 IHJHIBCLFUGXED-FXAWDEMLSA-N 441.598 1.613 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1286787186 QNIXMCKKGWDIMV-GOSISDBHSA-N 434.548 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1286818573 YLRZNLIFPIUZTF-UHFFFAOYSA-N 429.550 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286821283 GFKUCDRIDUEYCB-QKLQHJQFSA-N 426.583 1.850 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)s1 1292143048 ZNIPOPRSJXLZEP-LSDHHAIUSA-N 443.591 1.145 30 10 IDEE Cc1ccc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1293789819 LJSGYCGIBUEKJT-INIZCTEOSA-N 425.381 1.854 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1295174756 QWAQYLZVZNZORC-WIYYLYMNSA-N 445.545 1.636 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1296166325 GDDOEKGTJCFGSD-DZGCQCFKSA-N 449.508 1.627 30 10 IDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CCC1 1296259350 HOAPRNXWMMYVTQ-MRXNPFEDSA-N 435.532 1.790 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1298094737 XKFATBTXWHBYPO-IBGZPJMESA-N 425.493 1.036 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1300310053 WHVFCSYLBLNXLN-QAPCUYQASA-N 429.546 1.839 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1300386729 UGVVAEPWZARNNI-CALCHBBNSA-N 446.577 1.810 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1300482786 HUWSTIWULIRVCP-IBGZPJMESA-N 435.513 1.409 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1300559203 LTBGAMRQXNVGLZ-QHCPKHFHSA-N 429.565 1.504 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC(=O)NC2CC2)CC1 1300686037 WFJPZGPAAVJIQT-QHCPKHFHSA-N 444.580 1.133 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCN(C)C(C)C)CC1 1300698541 UTCACFLTJLHHMT-UHFFFAOYSA-N 434.548 1.689 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1 1300764481 WQVODLYVUMYMRZ-YJBOKZPZSA-N 427.530 1.859 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300874511 MYFMHTXXWMHXNH-OALUTQOASA-N 432.569 1.957 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301084360 UTBPKURVTLPYEY-SJORKVTESA-N 428.468 1.524 30 10 IDEE Cc1cccc2c1C[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)N2C(=O)OC(C)(C)C 1301213910 VGHKOKYCYAVEAQ-QGZVFWFLSA-N 439.472 1.612 30 10 IDEE COC(=O)c1cc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1301607774 KYUDBNKNHYXOSD-UHFFFAOYSA-N 444.513 1.784 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCC2)CC1 1302474905 DYJIMKUAHIOXEY-UHFFFAOYSA-N 443.577 1.384 30 10 IDEE COCC1=CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1315866808 AHOWBKLSCLLCRG-DQRAZIAOSA-N 449.515 1.573 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1353838599 JAOFRXVGVOIZJJ-LJQANCHMSA-N 444.557 1.847 30 10 IDEE N#Cc1ccc(OCC(=O)NCCNS(=O)(=O)c2ccccc2)cc1Br 1358311365 VPLGAMLPTVWWGJ-UHFFFAOYSA-N 438.303 1.794 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1358984464 WQMYKRCVBZAEOX-UHFFFAOYSA-N 439.541 1.429 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1359027199 ZHFCUFXXVKCWMA-SFHVURJKSA-N 443.529 1.249 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC[C@@H]2CCOC2)CC1 1359045205 ZPDCXEWVIMWZTP-AZUAARDMSA-N 445.564 1.191 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)N(C)C)CC1 1359047358 CZMSENZDLWAYBI-UHFFFAOYSA-N 438.532 1.220 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1359299785 NHCJBKSXYQDHKW-KRWDZBQOSA-N 426.521 1.858 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359330131 ICSSREYZTAIJBN-UHFFFAOYSA-N 446.577 1.636 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1359624503 BANXIMAIZFWGKR-HXUWFJFHSA-N 438.532 1.973 30 10 IDEE Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1452774226 FAJBLLWOUJZDQT-SFHVURJKSA-N 437.525 1.949 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(N2C(=O)CCC2=O)c1 1457196130 CHTJJBVTVNJYKQ-UHFFFAOYSA-N 440.481 1.797 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)CC1(C#N)CCOCC1 1459591032 HPPDFSGQKBJTOX-SJORKVTESA-N 425.526 1.542 30 10 IDEE C=CCC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)OCC 1468128336 WSADEVXMYIYBEZ-CQSZACIVSA-N 430.548 1.521 30 10 IDEE Cc1ccc(C(=O)NCCCCn2cc(C(N)=O)nn2)cc1B1OC(C)(C)C(C)(C)O1 1468942983 JBJXZFFQJRYANR-UHFFFAOYSA-N 427.314 1.195 30 10 IDEE N#Cc1cn(CCNC(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)c(=O)nc1O 1470361542 TYHGYBGWKWCBRB-UHFFFAOYSA-N 426.383 1.203 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2CCOC[C@H]2CNS(C)(=O)=O)ccc1Cl 1473691878 YVQCNJFIXFUTDL-MRXNPFEDSA-N 428.942 1.145 30 10 IDEE COCC(C)(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1504545112 BBWSRABISVEQGH-CVEARBPZSA-N 425.555 1.362 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-n2cccn2)cc1 1505002717 XLNRPNKKOSOVPH-XLIONFOSSA-N 437.504 1.965 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 1505151234 CQSCAAQHSSVCRP-WVDZOPJMSA-N 433.559 1.351 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1507591373 KZIHGBUCMUNDIO-ZWKOTPCHSA-N 439.582 1.072 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1507632703 PFNKVDFQYSUUNN-OALUTQOASA-N 444.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC1CCCCC1 1507651469 AYAPEXZJZBRTKX-UHFFFAOYSA-N 436.516 1.918 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OC(C)(C)O2 1507713089 XSSWDIKDGZVCLJ-INIZCTEOSA-N 425.489 1.871 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507755905 WZOVFEOVDSLYDG-RTBURBONSA-N 448.637 1.923 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1507842954 FVUGKQLEWONCJY-MRXNPFEDSA-N 444.496 1.768 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507853424 GAQZZTKDAIHUHQ-CQSZACIVSA-N 437.932 1.422 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1507896869 CSNYPEYOTABASX-QHCPKHFHSA-N 446.596 1.497 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508137552 NKXCZPOUXSRAND-PKOBYXMFSA-N 448.593 1.041 30 10 IDEE CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1508870992 CYNFDQXJIQJAPG-DLBZAZTESA-N 444.540 1.957 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1537843731 BJUMRFQZUICZQP-UHFFFAOYSA-N 440.569 1.970 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1539013051 HVWPEVIIEOZORI-DYVFJYSZSA-N 439.488 1.395 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1539178768 KFXUEHHARMFPDG-HOLBHBGLSA-N 425.555 1.425 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)cc1 1539291428 PWMKBZVMQJZTLG-UHFFFAOYSA-N 427.468 1.536 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC=C)cc2)CC1 1539428732 WCAONMCCRFTXCD-UHFFFAOYSA-N 434.544 1.882 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539507490 XPJMCSYGISVPCJ-IBGZPJMESA-N 429.546 1.661 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539668361 XRBDIJUQPPIZAC-MRXNPFEDSA-N 443.552 1.886 30 10 IDEE C=C(C)COCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1539758262 FHVZWPXVTITAIU-QFBILLFUSA-N 428.555 1.146 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1539793644 HXRNXWCBDIYLJE-LBPRGKRZSA-N 429.912 1.763 30 10 IDEE C=CCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@@]1(OCC)CCOC1 1540860946 VHQICYFDXNZBEN-IIBYNOLFSA-N 429.525 1.514 30 10 IDEE C=CCn1c(N2CCN(c3nccc(OCC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1540861350 NELCYDRVXUWBQG-OAQYLSRUSA-N 429.525 1.632 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1540863319 TZXAPPMGKYCXDP-OPAMFIHVSA-N 445.495 1.855 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1540863364 VAFUMNZDSFWVMW-WMLDXEAASA-N 448.549 1.238 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540867604 AXDIMTATAJVYMU-MOPGFXCFSA-N 427.505 1.640 30 10 IDEE CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1541595702 AJAGTUJRMXEUAS-UHFFFAOYSA-N 437.548 1.988 30 10 IDEE CN(C)CCC[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1543144563 NTVKHEWHIQNCGQ-FQEVSTJZSA-N 448.589 1.528 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)CC1 1544630271 GQGOSNLPZVDGHL-UHFFFAOYSA-N 425.482 1.774 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@H]1C 1547637781 BDMVCXAPJBZVQK-SJORKVTESA-N 445.593 1.627 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1555345906 DNIIFUWAXKXVHZ-KRWDZBQOSA-N 434.504 1.833 30 10 IDEE C#CCC1(O)CCN(C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1558101942 AUHSGWUEKPKGPW-UHFFFAOYSA-N 429.542 1.791 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 1564376714 QKSJFLDHUWNIGO-CTNGQTDRSA-N 447.605 1.082 30 10 IDEE C#CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1564764214 BBVUWQOXDFAWEY-ZIAGYGMSSA-N 435.493 1.463 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCC34CCOCC4)CC2)cc1 1565229649 MBNYIFHHXFLFOO-SFHVURJKSA-N 432.546 1.781 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1565590399 ZTLBGQTWHAHIGG-YXBWYFRISA-N 432.565 1.473 30 10 IDEE CSc1nc(O)c(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1C#N 1565916599 XLDUESZCYLAWMX-UHFFFAOYSA-N 447.561 1.071 30 10 IDEE COc1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc(OC)c1OCC(N)=O 1570830453 BFJVLCRKNCJLNT-GOSISDBHSA-N 438.484 1.790 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(F)ccc3I)C[C@H]1CS(=O)(=O)C2 1585131671 BCQCIVVUPQLBNK-XPTSAGLGSA-N 434.230 1.441 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2c(C#N)nnn2Cc2ccccc2)C1=O 1586986756 JHJIMEXUXACPLQ-QFIPXVFZSA-N 447.430 1.743 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1587640302 QPYNHWHZBQVFMS-JKSUJKDBSA-N 432.525 1.347 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C)C(=O)C1 1587879265 QGFUOXJTHHLPBQ-UHFFFAOYSA-N 435.576 1.335 30 10 IDEE C#CCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1587893904 KCOCVNGBERVNIC-JTSKRJEESA-N 444.536 1.110 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC2)CC1 1588974802 BPTOUFNAVBRKEB-UHFFFAOYSA-N 425.562 1.966 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)C1 1595773007 MHTSCTUZLFFBAD-UHFFFAOYSA-N 439.925 1.144 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 1596375496 KDOJCFRNYYNKDU-OAHLLOKOSA-N 432.278 1.799 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)CC3(C#N)CCOCC3)cc2)CC1 1611258580 XBVMBXFQNQCJPQ-UHFFFAOYSA-N 442.560 1.599 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1611307859 IDJJBAGAWDSVCY-OAHLLOKOSA-N 428.628 1.984 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1 1611648960 OZYPKIDNUYOFHI-HNNXBMFYSA-N 437.452 1.952 30 10 IDEE CN(C)CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1617696776 HXPWTNLAYFCFHI-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE CN(C)CC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1629091900 JWRLNLRKZREXID-PSCUFVCCSA-N 433.553 1.006 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)c1 1629870966 OUQYWGQAFBHYEL-IBGZPJMESA-N 446.550 1.708 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)s1 1632233436 FPELQCLSCREQJS-NSHDSACASA-N 428.454 1.755 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1634475668 LQPMMSSJMCSMMH-UHFFFAOYSA-N 433.452 1.680 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1635607676 VLWUGUJHBYKFME-ZIAGYGMSSA-N 439.317 1.170 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)c1 1636886617 XVMHWPIRAOUOCL-NDEPHWFRSA-N 442.559 1.067 30 10 IDEE O=C1[C@@H](NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCCN1O 1637667726 IJTJJRXKUBAIDW-HNNXBMFYSA-N 429.926 1.818 30 10 IDEE C#CCN1CCC(NC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1638678331 GUSPTXHBQHDHLF-UHFFFAOYSA-N 449.573 1.510 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2[C@H](C)C(=O)N(CCOC)c1c(O)nc(=O)n(CCCC)c1N 1647828525 ODAAGOFXKAPGFT-ZACQAIPSSA-N 433.553 1.882 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#C[C@H]1CCCCO1 1648586779 SLDTVLITUWJZFP-WBVHZDCISA-N 428.551 1.914 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCOc2ccccc21 1651841440 WOPCHHBCGCOIEL-UHFFFAOYSA-N 442.497 1.047 30 10 IDEE CCOC(=O)c1cn(CC)nc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1653443482 HKJAKMLVKZJVKU-GFCCVEGCSA-N 433.490 1.536 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN(CC(N)=O)C1CCOCC1)CCCC2 1654661523 DZWGPEPAEMUGNY-KRWDZBQOSA-N 443.548 1.322 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](CO)[C@H](CCO)C2)cc1 1655116886 QPBLWAAAVIILAE-MSOLQXFVSA-N 426.517 1.836 30 10 IDEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1Br 1655361567 ICMOLCKCNIHPDM-TZMCWYRMSA-N 434.356 1.677 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)CC1 1672514743 WYIWNZKGVZHGDA-UHFFFAOYSA-N 436.925 1.451 30 10 IDEE Cn1cc(I)c(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1 1672661784 DNCNVECJEKWROG-UHFFFAOYSA-N 437.241 1.869 30 10 IDEE C=CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1678808534 XUTBAOVLJRAYTL-RYUDHWBXSA-N 429.461 1.827 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C12CCC2 1682731435 AVGJAYWMSKQLBX-DOXZYTNZSA-N 438.550 1.498 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(Cl)cccc2OC(F)F)CC1 1684609995 QOWNQRRKGZBRFO-UHFFFAOYSA-N 436.868 1.236 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689993410 CTLFVCHSMGQZFR-HXUWFJFHSA-N 441.557 1.864 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCN(CC)CC1 1690025435 QLTJNHILOQIOKE-FQEVSTJZSA-N 436.608 1.486 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@H]2NC(=O)CC2(C)C)n1 1690109523 VCEOTUGREJFZPY-LJQANCHMSA-N 439.564 1.943 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690154762 YTHZYZCJNSNWDK-QZTJIDSGSA-N 432.594 1.037 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1690432714 JUTNTZLJGLPZED-INIZCTEOSA-N 439.582 1.078 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1690732266 XXDVWGQHGWAVCS-LJQANCHMSA-N 447.561 1.763 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)N(C)C 1692717308 JFHJKLVHBRASIR-VGOFRKELSA-N 426.521 1.675 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1693857788 BQURHSPNWYMFJC-HNNXBMFYSA-N 435.575 1.820 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1694783511 FWACASBKMZCMIT-VQTJNVASSA-N 437.548 1.378 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc([C@@H](C)O)cc1 1698255453 SKPSZLBVAJBXOO-TTYHFUOFSA-N 427.505 1.832 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1698302248 GQIDWUHCUUFKQK-UHFFFAOYSA-N 448.549 1.961 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCO)C1 1698483394 BDTQSEXVENCAOK-FQEVSTJZSA-N 427.440 1.435 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1705492044 KUGYTWHHVJIGDE-GDBMZVCRSA-N 431.518 1.865 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@@H](C)O)cc1 1705495517 RDRVITMQYIACTB-FCEWJHQRSA-N 447.561 1.171 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705512554 HBRAXNTWFKUOJW-QGZVFWFLSA-N 445.545 1.995 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705563996 JDNUZTXHHJVZGA-SFHVURJKSA-N 443.573 1.795 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1705568891 XBDSIKUJHJJZKD-KRWDZBQOSA-N 447.586 1.445 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705580510 LDXLWZSJSFWUGZ-MJGOQNOKSA-N 439.545 1.012 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1705599110 VHAQSXNTJUKAMA-YLJYHZDGSA-N 426.542 1.745 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1705600537 CDLNSLRCSBZYOZ-UHFFFAOYSA-N 435.528 1.394 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)CC1 1705639238 JJUVXEIYSPDSQV-SFHVURJKSA-N 431.537 1.317 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705639605 SBJASJRWIKONMM-NHCUHLMSSA-N 430.597 1.632 30 10 IDEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705807573 HOKAFNFCRHUVJB-UHFFFAOYSA-N 439.564 1.793 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1705931792 ARKYGUKRZGBQHV-UHFFFAOYSA-N 447.609 1.734 30 10 IDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1706060075 HPMBVJUSDNOBEK-QHCPKHFHSA-N 448.531 1.848 30 10 IDEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cnn1CC(C)C 1707028558 KOQNJKSHVLWVMW-OXQOHEQNSA-N 449.556 1.831 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(-n2cncn2)nc1 1708701298 FSKIBZIGIUJJIN-HNNXBMFYSA-N 436.524 1.959 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)CC1 1710293126 DYPMKWBQCDZLFJ-UHFFFAOYSA-N 444.628 1.964 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1710897529 FDIUNDIUPWZRNF-UHFFFAOYSA-N 428.522 1.126 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC(F)(F)C(F)F)CCO1 1712884183 IADHUJVGUQVMNG-AWEZNQCLSA-N 428.390 1.910 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2Cc2ncn(C)n2)c1 1722307895 YHVQLXUQAYHAIH-UHFFFAOYSA-N 441.499 1.497 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722333766 ZFRKDOCYBCHSAF-GOSISDBHSA-N 439.545 1.187 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1722353443 VXWRPDZKDUACEN-LJQANCHMSA-N 443.573 1.802 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722360432 HKCRVGJZGKNZMQ-SCTDSRPQSA-N 445.545 1.018 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722366750 JPNQMCYDXOQKAK-GOSISDBHSA-N 439.545 1.251 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CCCO1 1722425463 ZOXYRCFRJAWZCE-OAQYLSRUSA-N 446.577 1.893 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[S@@](=O)CC)CC1 1722442281 RFYZHDKKTCVVCQ-PMERELPUSA-N 429.590 1.998 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722551967 JWWSANPJEBLTDX-SOUVJXGZSA-N 441.916 1.901 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1722680894 COZPAQHIVIYYCD-HZPDHXFCSA-N 445.611 1.003 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722724033 LJRKYNDWZVVKKM-UHFFFAOYSA-N 425.584 1.318 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1740657763 XMSKNASXFDUKSI-IBGZPJMESA-N 426.542 1.894 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1CCNS(C)(=O)=O 1740663159 APAYRIVDIXORQS-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1740783299 CVILECRZFBABAH-UHFFFAOYSA-N 429.613 1.971 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740887695 LLJIOJOBSDHXKT-ROUUACIJSA-N 439.582 1.078 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1740917808 FVPHIUYKYNAIDC-GCJKJVERSA-N 443.573 1.851 30 10 IDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740943738 IFUZHHMHZWEGFH-GOSISDBHSA-N 440.504 1.915 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1 1740965095 ZKNSMCFWHURKRZ-INIZCTEOSA-N 440.548 1.768 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740966557 ZULAWQZXAQWTOL-OWCLPIDISA-N 434.541 1.576 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1741001651 AGHABBSXRBGFPX-WCXIOVBPSA-N 426.608 1.961 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)CC3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742686829 ZVCHIOFWHGXXCQ-QZQOTICOSA-N 438.536 1.902 30 10 IDEE CC[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1743831780 LICUFLAAXJAXBY-WMLDXEAASA-N 436.538 1.606 30 10 IDEE CCN(CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1746067500 PBGKFFPFQGVDCD-KSSFIOAISA-N 438.536 1.494 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1746459263 CHWKTIXBLZAMJR-SIKLNZKXSA-N 448.575 1.819 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1747219429 HLKINMOMGYYDDI-JTQLQIEISA-N 433.822 1.997 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1748672694 WTUBQVXXXSNFJX-VAPRHRDRSA-N 434.587 1.565 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1748674793 XZKZGGBBLKVWGL-WBVHZDCISA-N 429.525 1.826 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748730634 ODPQKPFCZICBEO-UHFFFAOYSA-N 426.525 1.197 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748819754 SXWANGBFKUXURR-PMACEKPBSA-N 442.589 1.231 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCOCC(F)(F)C(F)F 1748842574 MWABBQKXFXEPLD-UHFFFAOYSA-N 441.385 1.996 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H]2c3ccccc3C[C@H]21 1748863765 GPKLFJWUGLMJDL-DVWBAYGPSA-N 437.569 1.937 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](F)COC)CC1 1748979399 ZCBYWRVSYDVZKJ-AWEZNQCLSA-N 425.306 1.775 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749019604 AKBNIEGGJGHOBM-GOSISDBHSA-N 442.593 1.930 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749024410 PNHKVCPBOKEVGB-MRXNPFEDSA-N 443.529 1.970 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CCC(N)=O)CC1 1749676222 JESCATZKHKGPBT-UHFFFAOYSA-N 431.566 1.418 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749731027 ZEODDLJYPDRHEO-UZLBHIALSA-N 448.549 1.110 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2c(c1)OCCO2 1750007718 LJRJNJFJRUMDKN-WMZOPIPTSA-N 443.504 1.745 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC(OCC)C1 1760110300 NSMBYYJFVHMONL-IZINQKCZSA-N 446.577 1.626 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC=C 1760120263 KAITXSNIJYDPNQ-FQEVSTJZSA-N 435.576 1.403 30 10 IDEE C#CCN(c1nnc(C)n1CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760180258 BDBLYHIOUJKYMJ-INIZCTEOSA-N 425.555 1.470 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC 1760196408 TWVFABRYDCPCSX-UHFFFAOYSA-N 438.351 1.554 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(F)c2)CC1 1760265065 MTTJLJUMYCSVDL-UHFFFAOYSA-N 440.523 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NCCC)CC1 1760267483 NKVZKKBLUSYCDV-UHFFFAOYSA-N 447.543 1.699 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760344948 VHVQIPHWJIZNOT-UHFFFAOYSA-N 438.536 1.252 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1760516378 LXZBMBAEFDWGNI-HZPDHXFCSA-N 438.540 1.247 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1760522942 HMBKPDDLRFBEJX-FQEVSTJZSA-N 446.559 1.996 30 10 IDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1853000008 HWZUOXRDHJZLOC-MSOLQXFVSA-N 442.516 1.919 30 10 IDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2csc3c2CCOC3)C1)[C@@H]1CCN(C)C1=O 1857074184 CZXHSHQBGJJSCQ-CRAIPNDOSA-N 431.558 1.918 30 10 IDEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1 1874292416 CDGWSOLGHUVDKM-ZVBGSRNCSA-N 429.458 1.737 30 10 IDEE Cc1cccc(-n2ncc3c(=O)n4c(nc32)S[C@H](CC(=O)NCC#CCN(C)C)C4)c1 1890925224 MMMXZJKMMSPISI-QGZVFWFLSA-N 436.541 1.436 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)c([N+](=O)[O-])c3)CC2)CC1 1891231673 SJTJSWHHUZPFGR-UHFFFAOYSA-N 432.496 1.996 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900448938 AULFIKHIGCIDJV-NSHDSACASA-N 427.332 1.058 30 10 IDEE C[C@H](C#CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O)NC(=O)OC(C)(C)C 1901977033 UEVOEIWHCIXOCY-KGLIPLIRSA-N 425.482 1.436 30 10 IDEE CC(C)(C#CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)NC(=O)OC(C)(C)C 1993925009 ZVEOMXASGCKIPY-GJZGRUSLSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637979 QONIWIHZRLWEOL-KBPBESRZSA-N 434.302 1.085 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2067755675 LYXTZUZSHQGFRG-UHFFFAOYSA-N 434.302 1.256 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085655857 BORAFRFMOHQWTH-HUUCEWRRSA-N 433.314 1.859 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)cc2)OC1(C)C 2247880124 BHOQPGKTNLNFRJ-UHFFFAOYSA-N 430.335 1.662 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1COC[C@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903691 IQSQTOVAKBFUIK-CABCVRRESA-N 446.375 1.633 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255544596 BWAPSJWSPUHCSV-HUUCEWRRSA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255694496 OJVMHHKEPIUZNG-NHAGDIPZSA-N 430.314 1.371 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2255842386 QSFHNPBOPWXDQZ-RDJZCZTQSA-N 425.342 1.507 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255844271 UIKQYUXYKRZYBJ-OTVXOJSOSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255926522 FXDVUOHAAFHNMI-CQSZACIVSA-N 436.314 1.307 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063427 OVDHOFYQXPKKBK-KGLIPLIRSA-N 432.330 1.904 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178083 XITXEQDMUUGAEH-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2267280894 ROMFNOXGDPLQDC-OALUTQOASA-N 439.321 1.880 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267507459 OMJPQFVERZJCHJ-VNQPRFMTSA-N 446.357 1.705 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)CC2)n1 2267549102 JXRKJCWEYPVKKP-GOSISDBHSA-N 439.369 1.899 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268631730 BVRUIIOQXMINTG-MAUKXSAKSA-N 448.369 1.919 30 10 IDEE C[C@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2277955060 HRBFCIPPJWVDDR-LBPRGKRZSA-N 429.369 1.933 30 10 IDEE CC1(C)OB(c2cc(O)c(C(=O)NCC(=O)NCc3ccccc3)cc2F)OC1(C)C 2317266476 QSZIOUMLESLONB-UHFFFAOYSA-N 428.269 1.877 30 10 IDEE CCOc1ccccc1NC(=O)CS(=O)(=O)[C@H](CC)C(=O)Nc1c(C#N)cnn1C 16893845 ZVQCKWRRSFJVGX-MRXNPFEDSA-N 433.490 1.461 30 10 IDEE C=CCN(CC=C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 170365761 GWTUTBJSDAYLQR-UHFFFAOYSA-N 427.910 1.500 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CCO1 409482978 HBWHXBJXHPZEBP-MRXNPFEDSA-N 449.451 1.424 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(O)nc3c(Br)cccc23)CC1 426017964 OINQREHTSKKRIJ-UHFFFAOYSA-N 433.306 1.763 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 434546613 GEQHBDHNMVYNRO-UHFFFAOYSA-N 431.493 1.615 30 10 IDEE CNC(=O)CCOC1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446639375 RXLMBZHNBRZUKF-UHFFFAOYSA-N 429.521 1.970 30 10 IDEE N#Cc1cccnc1N1CCN(c2c(F)cc(S(N)(=O)=O)cc2Br)CC1 460398450 CPOUFGBHNYGVBJ-UHFFFAOYSA-N 440.298 1.829 30 10 IDEE COc1cc(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1C#N 460653775 JKGSUHHDJAXWTL-LEWJYISDSA-N 433.512 1.965 30 10 IDEE Cn1ncc2c(N3CCN(C(=O)Nc4cnn(-c5ncccc5C#N)c4)CC3)ncnc21 462081974 AFOPMYCLGRKARQ-UHFFFAOYSA-N 429.448 1.170 30 10 IDEE Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 463794312 HFCLBCSVOMOLFM-KRWDZBQOSA-N 443.956 1.832 30 10 IDEE COc1cccc(-c2nc(=NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)s[nH]2)c1 482175322 FYSDMMGQSPWHGF-GFCCVEGCSA-N 443.510 1.813 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C[C@@H](C)O1 505231347 GRSHAFIPFJKWPJ-HZPDHXFCSA-N 448.545 1.575 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)cc1 507088467 QUAAZPZLNILUOW-HXUWFJFHSA-N 437.518 1.446 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 508497901 OGDXBVQZQZJXSZ-OALUTQOASA-N 446.577 1.878 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1C[C@@H]1CCCO1 519282341 ZISRIOWTEXFZHZ-AWEZNQCLSA-N 447.919 1.687 30 10 IDEE N#Cc1cccc(CC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1 531390176 ICKJMLONGJVUPF-KRWDZBQOSA-N 433.511 1.205 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 538252925 XQCJXYCJSUXTML-MRXNPFEDSA-N 426.496 1.875 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 538272997 AXSLVMYLSKHEKZ-LJQANCHMSA-N 435.557 1.546 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 549690019 GWIOVPUPVQNMFE-MRXNPFEDSA-N 438.598 1.693 30 10 IDEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 585673805 UFLHIHGWKXEZOS-XAOIDXCXSA-N 447.495 1.404 30 10 IDEE C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)N1C(=O)NC2(CCCC2)C1=O 608813584 FWLNIJOJKDDLSZ-BBRMVZONSA-N 441.513 1.651 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)CCN2C1=O 611840598 IQUZHMPICVEZHG-HNNXBMFYSA-N 427.852 1.898 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730141749 KWFPKHOXKSAKOC-SJLPKXTDSA-N 447.605 1.827 30 10 IDEE CCC(=O)N1CCc2cc(C(=O)COC(=O)CCN/C(O)=C3/N=CC=CC3=O)ccc21 741341111 PHIKMHDSESPZDP-DQRAZIAOSA-N 425.441 1.628 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2)C1 744430896 PAFMSXZGHOVXCD-UHFFFAOYSA-N 426.521 1.502 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cc(C#N)cn1C 751733981 LLLJAELAUJAFKI-LBPRGKRZSA-N 434.474 1.340 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)s1 752195479 XVXGVGKFZAFBMC-AWEZNQCLSA-N 429.567 1.980 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@]2(C)CCCO2)C1=O 756084366 MHUDCMGAOASEEG-ODPKLLGOSA-N 447.605 1.561 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(Cc3ccccc3)c2)c1=O 758056465 XUHQJPMUSIAIED-UHFFFAOYSA-N 428.517 1.660 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1F 763716166 ASMTUCALBJNWSG-UHFFFAOYSA-N 426.433 1.995 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)OCC[C@H]2C1 765270767 HGZNOXGJVCFYEQ-HOCLYGCPSA-N 434.518 1.337 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N[C@@H](C#N)C2CC2)c1 768180975 RTGZCWVXZISKSL-ZDUSSCGKSA-N 433.271 1.573 30 10 IDEE C#CCN(Cc1cc(I)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 768931657 IMIRGXHVMJAYNW-ZDUSSCGKSA-N 449.310 1.931 30 10 IDEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 774997496 RUZVSZPWSSIFPX-HXUWFJFHSA-N 435.546 1.901 30 10 IDEE N#CC1(NC(=O)COC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CCCCC1 780254089 FVQXCZVTXKDKNC-QFIPXVFZSA-N 429.473 1.958 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3cccc(NS(C)(=O)=O)c3)CC2)o1 781917765 UECBMGWCHOYTNT-AWEZNQCLSA-N 446.533 1.226 30 10 IDEE C[C@@H](OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)C(=O)NC1(C#N)CCC1 787790156 BZEXKUQNHMICDW-WZYMTQMTSA-N 433.505 1.943 30 10 IDEE C#CCn1ccc(CN(CCOC)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)n1 789761277 ZBQHRRJTSIVNSO-QGZVFWFLSA-N 439.969 1.683 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](COc2ccccc2)C1 791156606 ULWIOSLIUYATEQ-QGZVFWFLSA-N 429.498 1.422 30 10 IDEE COc1cc(Br)c(F)cc1S(=O)(=O)NC(=O)[C@@H](C)n1cnc(C#N)n1 798851170 VLHOKXKVGZZVCA-SSDOTTSWSA-N 432.231 1.126 30 10 IDEE Cc1nc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)c(Br)n1C 806116976 ZBPQQKWSZYOULR-VIFPVBQESA-N 427.280 1.635 30 10 IDEE CC#CCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 810776449 UBYZFEGTUNHXCG-UHFFFAOYSA-N 432.523 1.517 30 10 IDEE CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3cnc(N4CCOCC4)c(F)c3)NC[C@H]2C1 849086046 NMQBUJAEOCWDIJ-INIZCTEOSA-N 434.516 1.438 30 10 IDEE O=C(O)CCNS(=O)(=O)c1cccc(C(=O)/C=C/c2cnn(-c3ccccc3)n2)c1 916549314 LCJBIUHCIZTUCK-MDZDMXLPSA-N 426.454 1.916 30 10 IDEE N#Cc1cn(CCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c(=O)nc1O 1135558916 FNJDYGKMGNJHNA-UHFFFAOYSA-N 431.880 1.087 30 10 IDEE C=CCn1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)nn1 1135789924 FQBXACKFGPMVQJ-UHFFFAOYSA-N 438.410 1.759 30 10 IDEE C#CCC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 1175669378 NKNOCLIRVMKKOR-GHRIWEEISA-N 428.514 1.084 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)[C@@H](C)O)cc1 1179404509 FYBJZZWNNCJOTC-HBGVWJBISA-N 443.525 1.495 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCn3ccc(O)nc3=O)C2)C1 1180173397 AYOGDMOKODGRCN-FAGJFJLWSA-N 431.493 1.242 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(SCCOC)cc2)CC1 1221841027 PVOLUISHSAGUSO-INIZCTEOSA-N 440.591 1.281 30 10 IDEE C#Cc1cccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 1275917056 BZFYGSQSLLUCJZ-UHFFFAOYSA-N 428.510 1.556 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286323188 GNVNONCFGZDFTJ-DLBZAZTESA-N 426.525 1.508 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286387572 SMNNBTYJYGDGIR-OAHLLOKOSA-N 449.964 1.750 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1286409505 MYQXENCOJUIKFI-HXUWFJFHSA-N 439.541 1.397 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1286409625 RYWOKBSXKPYXTN-UHFFFAOYSA-N 439.589 1.797 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1286475654 FKUVHELQQUAKAC-NRFANRHFSA-N 446.603 1.598 30 10 IDEE C#CCSCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286510448 SLBDDFMTNOYHAH-LPHOPBHVSA-N 442.607 1.308 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CC(N)=O 1286546371 IUNXUUJCJAZIKZ-VKJFTORMSA-N 427.509 1.607 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)CC1 1286564954 OASQSJKRBYLXIC-MJGOQNOKSA-N 434.566 1.356 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286612546 VOYUFAIXUMWLQU-WOJBJXKFSA-N 446.596 1.508 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1)C1CC1 1286732325 PWDZQZWXAOTOAM-KBXCAEBGSA-N 428.628 1.480 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1286820702 PLPKQUVRGABBJW-SJORKVTESA-N 439.582 1.125 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1295174754 QWAQYLZVZNZORC-NQIIRXRSSA-N 445.545 1.636 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296130287 CNUPWQYWYIONSS-HKUYNNGSSA-N 429.594 1.685 30 10 IDEE COCCO[C@H]1COCC[C@@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1296593793 OOLTYTGSBZJXEY-WMZOPIPTSA-N 438.322 1.694 30 10 IDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1297156554 CKQCHZRPBGBEHT-LJQANCHMSA-N 437.497 1.739 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3cnc(-c4ccccc4)cc3=O)C2=O)cc1 1297335548 OSKXIGFXNXXSLC-HXUWFJFHSA-N 427.464 1.699 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)cc1 1300295939 HAQCKAPLXBNZJL-LJQANCHMSA-N 444.561 1.643 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1300310763 OJRAFJJDHNZAJS-MJGOQNOKSA-N 446.577 1.405 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300487872 MVCVVINPUYRFOI-UWJYYQICSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300488023 OCOBJOHCGVKTCM-MRXNPFEDSA-N 448.520 1.252 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1300496926 WLCVFYQWXKBWCK-WBVHZDCISA-N 449.602 1.670 30 10 IDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C1CSC1 1300610207 LRTGQNFZPNHOSG-SFHVURJKSA-N 436.331 1.793 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1 1300665012 WPAHWJHPEGFIMO-LAUBAEHRSA-N 431.924 1.876 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301251367 CBLGXFRFTCAVCP-SFHVURJKSA-N 436.520 1.415 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3nccn3C2)C1 1301537572 BZWWHMMOLMIMBJ-YESZJQIVSA-N 449.581 1.129 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCCCO)CC1 1301765120 WDADAJFYQLWHIX-UHFFFAOYSA-N 439.564 1.580 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1302167632 ZKBHHGPXEVTIMG-IBGZPJMESA-N 426.521 1.973 30 10 IDEE C=C(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OC 1302428411 ILVVBGRKQNKTHG-NSHDSACASA-N 439.715 1.988 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1303447001 BEXMIIJTAQJOEF-UHFFFAOYSA-N 449.494 1.597 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1303760151 BIDKXAGVMDCTJG-HUUCEWRRSA-N 435.529 1.306 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCS(=O)(=NS(C)(=O)=O)CC2)cc1 1307792148 AGQOULKLEMSZDG-INIZCTEOSA-N 426.564 1.373 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)CC1 1308915558 WFJVYNFAAUOBAI-UHFFFAOYSA-N 445.495 1.865 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(N(C)C)CCSC1 1316284889 FKBCFAAARWQKTK-CPLUKWAASA-N 438.573 1.881 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)CCO1 1316539903 RRPVRRGGVFCKDZ-CQSZACIVSA-N 431.884 1.004 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)cn1 1329359269 JBGDKHSHTXUQHS-GOSISDBHSA-N 430.486 1.299 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1358880681 QPGHYKAHAYFEEF-YJYMSZOUSA-N 438.937 1.615 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 1358921614 DAQFONKVFCFZPT-UHFFFAOYSA-N 426.340 1.694 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358959675 NOOIOGNORFCCNM-QGZVFWFLSA-N 446.529 1.726 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1359000421 UYAYIUCXGDOJRN-MRXNPFEDSA-N 427.534 1.582 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1359008670 XCOLLKKGIHZXTQ-LJQANCHMSA-N 436.564 1.274 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2COCCO2)CC1 1359031722 NLLJPJVOPSSYQW-GOSISDBHSA-N 446.349 1.878 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359132879 HKLDCEJGZOLTQD-QGZVFWFLSA-N 427.571 1.237 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1359240203 IXCIWFOXXIPJIG-IBGZPJMESA-N 444.561 1.957 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1359286829 VJQOMNBFGOQKRI-GOSISDBHSA-N 429.569 1.234 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1359305147 UMRQHVJCZSPOOW-MRXNPFEDSA-N 436.557 1.810 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCCCC1 1360693140 FPPVRMMBUCNGPW-XLIONFOSSA-N 437.614 1.894 30 10 IDEE CC1(C)CCO[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1360819451 WZLVSFXLKWYCQS-ZBFHGGJFSA-N 430.534 1.813 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1440613118 QBVWXGXAKHPSOU-BJMVGYQFSA-N 432.473 1.745 30 10 IDEE C#CCCN1CCN(S(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)CC1 1462920172 CKHSGNFBTSXHCT-HSZRJFAPSA-N 434.381 1.792 30 10 IDEE C[S@@](=O)C1(C(=O)NCCNc2ncccc2C#N)CCN(C(=O)OC(C)(C)C)CC1 1464504438 FNZCOOKLKSSRAI-SSEXGKCCSA-N 435.550 1.630 30 10 IDEE CC(=O)NC[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1465299033 AIWTVIYPZBLTOO-UYAOXDASSA-N 442.516 1.756 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCS(=O)(=O)CCO1 1472396621 HUDLGGRVWNGNRR-QGZVFWFLSA-N 435.502 1.581 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 1478266843 YTRIQWNIFQOMNK-UHFFFAOYSA-N 435.955 1.666 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1494236949 VNRCWJWOKBOENQ-CJNGLKHVSA-N 425.518 1.747 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCN(C(C)=O)CC2)CCOC1 1502681303 GMKDCFMZVRSOEM-LEWJYISDSA-N 434.516 1.631 30 10 IDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1503170709 RCWPJGLSTPZWFV-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCSC2)C1 1503833691 QYHDJSGOVWVJCM-LJQANCHMSA-N 432.575 1.699 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCCC1=O 1505081028 BFWMKVCWZAPROH-BJLQDIEVSA-N 446.552 1.524 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N1CCOCC1 1507617053 QMAXMCMWHHKJAL-MSOLQXFVSA-N 448.568 1.377 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1507634554 ZATCPIAMVDPPFA-RBUKOAKNSA-N 441.557 1.467 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN(C(C)=O)C1 1507695392 XPXLFJZPHJPRFU-KRWDZBQOSA-N 428.562 1.988 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OC(C)(C)O2 1507713090 XSSWDIKDGZVCLJ-MRXNPFEDSA-N 425.489 1.871 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507752373 ZOSKDFJLWGSXMK-JKSUJKDBSA-N 427.596 1.009 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@H]2CO)CC1 1507883874 BELFIFJDANCDRL-OALUTQOASA-N 437.610 1.574 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1)C1CC1 1507994085 WSLPQOSIBKEHPK-GOSISDBHSA-N 433.534 1.520 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1508138946 ASEYWZUQLLMATA-MRXNPFEDSA-N 433.534 1.639 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1509090774 ACJWUPUTHOUBQT-REWPJTCUSA-N 440.548 1.657 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1509780633 FKVPRELGPZTVQC-UHFFFAOYSA-N 442.549 1.477 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C(C)C 1516592143 LDGIGEUZMKOVRU-UHFFFAOYSA-N 426.525 1.180 30 10 IDEE Cn1nncc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCC#N)CC1CC1 1517424721 BUQZZVWODTVXFX-UHFFFAOYSA-N 440.533 1.655 30 10 IDEE CN(C)CCN(CC(=O)N(C)C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1538710845 CSFJMVLEVJCAGY-UHFFFAOYSA-N 442.520 1.501 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC2CC2)nc1 1538974033 QRSLLUPOVPEMFX-GJZGRUSLSA-N 432.550 1.578 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539230183 CGTPCJQCKLSYRV-ZHALLVOQSA-N 447.561 1.652 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1539232052 YWLQKPZCZBHEHE-WCIQWLHISA-N 448.589 1.985 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccccc1 1539312448 QCRFGZLTQCOHPT-UHFFFAOYSA-N 435.513 1.177 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1539377217 NEJLGWSBSJITAE-UHFFFAOYSA-N 436.560 1.741 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1539384722 MXDFDAOGUQPPNZ-HSZRJFAPSA-N 440.523 1.360 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539446310 WLDFDJGCUSEDNB-NRFANRHFSA-N 436.608 1.430 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1542234761 AHYMARLKDFJDFW-VGOFRKELSA-N 427.505 1.485 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1544310033 OJWSRRZUJQFRJY-CUZJAGIXSA-N 444.536 1.691 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1544779591 MHHYLYDRJQXMDG-UHFFFAOYSA-N 441.509 1.447 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1554385576 DMSCKXHCJZHNFO-OAHLLOKOSA-N 435.488 1.658 30 10 IDEE COCCOCCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555718073 YWRWPICAYHBVFN-INIZCTEOSA-N 426.525 1.585 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1 1555810479 GDOQGFQEJDXQMW-LJQANCHMSA-N 443.577 1.818 30 10 IDEE CC(C)(CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)[C@H]1COCC12OCCO2 1564905856 GKFWKXGYUWYHST-LJQANCHMSA-N 432.496 1.945 30 10 IDEE N#Cc1ccccc1N1CCCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 1565561178 ADNUBBNSTYMYBN-UHFFFAOYSA-N 431.493 1.496 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncc2c(n1)CCOC2 1583693705 QZTPQBLFBBFJCR-QGZVFWFLSA-N 443.529 1.319 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)c1 1584186643 VLJAPMQGUVOEAH-UHFFFAOYSA-N 430.408 1.812 30 10 IDEE C=CCC1(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1585720558 WFEHETMXBLVTHV-UHFFFAOYSA-N 438.546 1.500 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1587524204 DLNIVDQJOSWRTP-OWCLPIDISA-N 439.509 1.917 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@]34COCCN3C(=O)OC4)C2)C1 1587636209 KDGLHGFZUJWJPM-HCWAXHENSA-N 434.493 1.111 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@@H]2C)c1 1587683153 CNGRATDJCQPKEO-ZQIUZPCESA-N 430.534 1.525 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)C)c1 1587689486 ILZDNMMLQXPASA-UHFFFAOYSA-N 448.531 1.507 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(S(N)(=O)=O)cc1 1587904560 JXEFONOLHYMZSR-UHFFFAOYSA-N 432.550 1.156 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1588046031 VYOPXDPORNOGNY-OAHLLOKOSA-N 449.964 1.704 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588899034 KXLLXEYUGTUMAU-BXKMTCNYSA-N 448.527 1.322 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OCC)CCOC1 1593769969 UDCWUAAOYBDXJV-QFIPXVFZSA-N 443.552 1.640 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1595134233 WJLDYRBAIVHDEN-INIZCTEOSA-N 436.513 1.110 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1595467748 YQPKIVQQPFXWNU-MRXNPFEDSA-N 448.487 1.280 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595555546 BVVSIKLREAOWIV-JTSKRJEESA-N 426.521 1.340 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1610006067 ZOIOZIOANHTVQA-UHFFFAOYSA-N 441.517 1.743 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1612966338 IUMVNPXLRHZNDK-FVGNFYTDSA-N 437.504 1.406 30 10 IDEE C=CC(C)(C)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1616973653 OONLEYYYZYBHKI-UHFFFAOYSA-N 425.489 1.135 30 10 IDEE COCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1620040822 PDRKKTMCHUJFLP-UHFFFAOYSA-N 447.499 1.612 30 10 IDEE CCOC(=O)C(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OCC 1629525136 RGFMIGULIKVIDH-GJGORFQUSA-N 437.493 1.384 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)cc1 1630881558 WSWWEVDARNAYMN-AWEZNQCLSA-N 446.451 1.552 30 10 IDEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632524321 KHGBJKGFFYNSLM-GFCCVEGCSA-N 439.490 1.604 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1634109178 XKSLCVUMVDSOHK-VNHYZAJKSA-N 432.481 1.563 30 10 IDEE COc1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1S(=O)(=O)NC1CC1 1634255091 NVWVBOHWKAMITD-UHFFFAOYSA-N 426.498 1.944 30 10 IDEE C#CCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1638678334 GZNSXJMTFXRAKM-UHFFFAOYSA-N 433.452 1.467 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 1640630479 YGOQYKXELCSRDV-PBHICJAKSA-N 448.545 1.741 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1640794120 JQFGHVRUVWYSID-HXUWFJFHSA-N 428.510 1.872 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCc3c(OCC(N)=O)cccc32)c1 1641117278 MRTUDVWDAFSAPC-UHFFFAOYSA-N 426.494 1.941 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1645244263 HPRZAYHMWAIOAS-IAGOWNOFSA-N 438.550 1.415 30 10 IDEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155913 RCSIIBZALYPCNC-AUSJPIAWSA-N 425.551 1.809 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCN(CC(F)F)C3)CC2)cc1 1650899090 VYWUDRDPFHJRJU-INIZCTEOSA-N 440.516 1.662 30 10 IDEE COC[C@@]1(C(=O)OC)CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1655061782 XUGBGCGCZJCLLL-SIKLNZKXSA-N 432.496 1.189 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1665456942 CIZLJYPUWKGZGZ-GFCCVEGCSA-N 441.351 1.015 30 10 IDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2CC#N)CC1 1666138835 GIAUPUJUJQSFLI-HXUWFJFHSA-N 426.542 1.416 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)N1CCOCC1 1673887403 LIDALORLPQIQKD-YESZJQIVSA-N 437.541 1.318 30 10 IDEE CCOC(=O)[C@@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCOC1 1680778101 BLHFIRKEJZXNDH-PGRDOPGGSA-N 428.489 1.318 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCc3c(CC(N)=O)cccc3C2)C1 1681435199 TXWXGKYWBBMXKG-FUHWJXTLSA-N 427.505 1.541 30 10 IDEE C#C[C@@H](NC(=O)NCC(=O)Nc1ccc(I)cc1)C1CCOCC1 1682489722 FWKIJZCJUUYMAT-OAHLLOKOSA-N 441.269 1.957 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1689991165 XLBKZVYEKLJWII-WOJBJXKFSA-N 444.557 1.603 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1690010027 SNICXHHLXYDEEO-UHFFFAOYSA-N 426.498 1.366 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1690051240 RIOUPCLCRKFYCI-UHFFFAOYSA-N 438.557 1.752 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1690101045 MESCNTABRSTISC-SFHVURJKSA-N 431.500 1.874 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690154761 YTHZYZCJNSNWDK-MSOLQXFVSA-N 432.594 1.037 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690172640 KQEHBBRMQHBYJC-MOPGFXCFSA-N 446.621 1.281 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1)c1ccccc1 1690321976 PXMGMIKWXBADBK-UWJYYQICSA-N 447.561 1.597 30 10 IDEE C=CCCCn1c(COCC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1690493637 NNRCSCQSRSHVNY-QGZVFWFLSA-N 427.571 1.412 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)C1 1690700198 OTRJUKDGGZOMRV-CABCVRRESA-N 436.538 1.150 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690706825 KUCWLWPRKLXZJG-IAGOWNOFSA-N 425.599 1.930 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690726472 BKBJMCRDXHBOFG-MOPGFXCFSA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690731528 KTYWAUBAIMWZTO-HLIPFELVSA-N 440.566 1.505 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1690994286 ZJALZNXPLUYJGH-CQSZACIVSA-N 442.915 1.534 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCCC2)CCO1 1696964258 IAWIANIJDNOAOM-PXNSSMCTSA-N 437.548 1.500 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 1705532798 QVQUCFNGEYRYRE-HXUWFJFHSA-N 443.573 1.628 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705580593 LKLXBIMWZRHYLO-PMACEKPBSA-N 426.565 1.439 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCn2cnnn2)CC1 1705649608 CNDJAAMDTYAHHE-UHFFFAOYSA-N 447.547 1.220 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705698590 WGMAVWQCPUXSDW-QRVBRYPASA-N 439.582 1.199 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1705729993 DYUWVYHVDYHDME-VQIMIIECSA-N 429.587 1.876 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705752065 HFFAFXJAHIAZBA-CQSZACIVSA-N 425.946 1.595 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCCS2(=O)=O)C1 1705922145 GZUQABUDXQUWRI-KRWDZBQOSA-N 432.550 1.465 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1709901138 VNHCAQZIDWEZQF-HSZRJFAPSA-N 437.548 1.596 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1710361104 XSCJFKOUIWOOOL-JOCHJYFZSA-N 437.504 1.574 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(COC)c2)CCOC1 1710482505 GHEOWISYNFYSFY-UGKGYDQZSA-N 427.505 1.854 30 10 IDEE CN(C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1711015011 LTCOBVGXOBKKCU-NRFANRHFSA-N 426.525 1.634 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1722364894 JNHMAPGRZWQCBC-GOSISDBHSA-N 442.545 1.180 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)CC1 1722431540 MLKMBKOITXFOND-MRXNPFEDSA-N 434.541 1.139 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@H]2C[C@@H]2C)CC1 1722444348 XQJNKZLUEZYJQX-KXBFYZLASA-N 441.557 1.895 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722574862 YUGQGUVNSGDBFP-LJQANCHMSA-N 429.613 1.943 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722630045 UFFVFLQVJYBLRS-BBWFWOEESA-N 439.582 1.296 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1722682284 ZEIITGWROOBZLA-IAGOWNOFSA-N 434.566 1.278 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722695128 UFTHILQYFAXNQY-SFHVURJKSA-N 437.504 1.014 30 10 IDEE CC(C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723155097 BJIWINTZJVRZSF-AQMPTVPWSA-N 443.552 1.229 30 10 IDEE CCC[C@@H]1CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1CCOC 1727983859 LOAXMUGUDZLLEP-NHKNDPDJSA-N 431.541 1.050 30 10 IDEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1728704909 CLRNDNBFBLIBGX-HOTGVXAUSA-N 428.497 1.625 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2csc(C)n2)CCO1 1729678077 BRUZLDXBXYQMAZ-GOSISDBHSA-N 437.529 1.776 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCCCO)CCO1 1731189581 MMQPJPXWJUPOFX-CRAIPNDOSA-N 431.518 1.635 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1740570596 GBFWHSCSOSRSAE-MAUKXSAKSA-N 444.561 1.878 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740575177 QVCWOWCKBGXZJS-CVEARBPZSA-N 434.522 1.253 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1740624046 DCFZVTYXSWBACQ-MRXNPFEDSA-N 440.520 1.812 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740626098 JORKCUODPLJDPZ-AEFFLSMTSA-N 433.534 1.800 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740636406 YWLVCSCGRBBICV-MOPGFXCFSA-N 440.573 1.561 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1740672241 ZPLDIPGELBGXLL-JKSUJKDBSA-N 439.582 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCSCC2)CC1 1740706693 ZPFPWGWUSJZZME-IBGZPJMESA-N 446.621 1.534 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1740717561 VXQAUZUURBCKBE-KRWDZBQOSA-N 441.623 1.746 30 10 IDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740947076 NSZRBHXXWBXHOV-IAGOWNOFSA-N 425.555 1.337 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)NC)C1 1740995026 XVMWLXBUTFOKFB-INIZCTEOSA-N 437.591 1.494 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1741886989 XNLMHIWWFQIXJK-MGPUTAFESA-N 433.534 1.492 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCOCC1 1748649152 KMPFNOBLANWXAK-INIZCTEOSA-N 447.561 1.195 30 10 IDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CCN1CCCS1(=O)=O 1748901003 OTASEDFVYZGVKL-UHFFFAOYSA-N 441.557 1.398 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749241580 QDRMKEYKHBUREJ-FGZHOGPDSA-N 436.553 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749656051 YZDFVAZPKQGIRD-GOSISDBHSA-N 440.548 1.414 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749668620 BBDCBLAKBSFGIB-LJQANCHMSA-N 435.532 1.673 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](CC)C1 1749721677 QSGXFWYLFFXSIP-JKSUJKDBSA-N 448.549 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1749739611 HRBRVWIPQDTDOR-LPHOPBHVSA-N 428.555 1.146 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1750197120 NHUUOVVIKONKLM-UHFFFAOYSA-N 432.506 1.040 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1750203877 WFYUOZXLMFQQIT-GOSISDBHSA-N 440.533 1.684 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1760184686 KVLMACLAWFTXJK-INIZCTEOSA-N 432.502 1.337 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760214173 DTJSQNZBERKTTO-LJQANCHMSA-N 436.541 1.561 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1760288199 UVLHGISESQNAQR-HRAATJIYSA-N 442.545 1.742 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760313782 QFADFRZUPOYQKP-OWSLCNJRSA-N 430.553 1.360 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1OC 1760461483 VTLFSWGGZCJHHN-NVXWUHKLSA-N 434.566 1.912 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCS(=O)(=O)NC 1760479542 SIGWYVKHPYOFFE-UHFFFAOYSA-N 437.529 1.954 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760548103 YFWDUDXHRCDCAI-IXDOHACOSA-N 425.555 1.192 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760552190 FRZZANUMMSGFGP-FQEVSTJZSA-N 445.549 1.360 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CCCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1760696161 FFVWQOKBMNYYFF-GOSISDBHSA-N 445.589 1.989 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1760698700 NXHUULHFJCJENA-GVDBMIGSSA-N 441.598 1.854 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1760835001 CVOPRKAXVTURNA-SFHVURJKSA-N 433.520 1.735 30 10 IDEE CCO[C@]1(c2nnc(N(C)CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1765816030 WMFNYGRJPSYTTF-CRGRJFMMSA-N 446.552 1.939 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766828849 RTBLHSBTAHZEIA-SFEXGQDGSA-N 444.536 1.704 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1766932397 MBEOHYOVDUEEJB-UHFFFAOYSA-N 449.563 1.903 30 10 IDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)c1occc1C 1767942123 ATOQVMUCVAKUGE-SFHVURJKSA-N 441.536 1.713 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccncc2Cl)CCO1 1769241570 JWOMPHVRPUDUIW-SFHVURJKSA-N 437.891 1.865 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCCCC1 1770218706 ZJEPVQYRMUKRNT-FYQPLNBISA-N 432.569 1.853 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1771268316 JGOISJYQUKDFEB-SFHVURJKSA-N 426.477 1.511 30 10 IDEE N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)S1 1772790532 DUDMPECVZKNEJO-CQSZACIVSA-N 438.421 1.550 30 10 IDEE C=CCOC(=O)N[C@@H](C(=O)O[C@H]1CNOC1)c1ccccc1I 1850430397 FTOKJBFETYGKMA-GXFFZTMASA-N 432.214 1.691 30 10 IDEE C=CCN(CC=C)C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1 1852074663 YQKBWVCXEVEANH-QGZVFWFLSA-N 428.532 1.208 30 10 IDEE CC(C)N(C[C@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1854067826 AVJUWUQMTJSHFK-WOJBJXKFSA-N 431.558 1.763 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(OC)cc(OC)c2)cc1 1858971533 XWWROBNUCNHCFV-UHFFFAOYSA-N 447.513 1.850 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865718305 IZRVFGJYQADTDW-MRXNPFEDSA-N 440.500 1.260 30 10 IDEE N#Cc1ccc(COc2cn(CCCCCCO)c(CN(CCO)CCO)cc2=O)cc1 1870350911 DEGGWNRGYXXEIC-UHFFFAOYSA-N 443.544 1.638 30 10 IDEE CCc1sc([C@@H](C#N)C(=O)CN(CCO)CCO)nc1-c1ccc(OC)c(OC)c1 1872801281 ZYKIRGCLAJUUIJ-HNNXBMFYSA-N 433.530 1.853 30 10 IDEE O=C(N[C@H](CS(=O)(=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1892220427 DRTWNUUDGSYILT-HXUWFJFHSA-N 443.477 1.389 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)C(=O)NCC#N)CCN(Cc2ccccc2)CC1 2014107141 MIYAKYFTSIMYJO-UHFFFAOYSA-N 429.521 1.302 30 10 IDEE N#Cc1cc([C@@H](O)C(=O)O)cc(I)c1I 2060282368 JLHACJGQFBDYDR-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128730021 SKIRAXGCPHXKEQ-MRXNPFEDSA-N 447.341 1.371 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243677831 ALVCFRDGEZIDJJ-JTQLQIEISA-N 430.311 1.451 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2247822074 BQHOOANPPXCDTL-LBPRGKRZSA-N 441.359 1.366 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248446426 YTVLGFXENLBEFH-AWEZNQCLSA-N 440.371 1.939 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255545782 VRPCEOFJYANHJW-ZFWWWQNUSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627648 WOFJIQDCZJHBGH-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255679818 JEBWVJMEEYGTMW-ZDUSSCGKSA-N 432.330 1.761 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2255830064 ZKWNGLHMZHGDBT-ZIAGYGMSSA-N 432.330 1.314 30 10 IDEE Cc1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)oc1B1OC(C)(C)C(C)(C)O1 2255831801 BWQUCYJZMYNITA-NWDGAFQWSA-N 428.216 1.875 30 10 IDEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256679071 TYFMBFAJXMNUET-UHFFFAOYSA-N 440.346 1.685 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2267274920 HEMNOONGWNSKDM-MRXNPFEDSA-N 447.341 1.747 30 10 IDEE Cc1scc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2303624844 VTWIZNPSTVERAD-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CO[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2364183146 BHUQBWUWHPGPOG-SFHVURJKSA-N 437.518 1.724 30 10 IDEE CCOc1ccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1Br 169883616 DBOSEKWEYCBRJV-IUXPMGMMSA-N 427.280 1.988 30 10 IDEE Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 462443508 YHNVNLZDVFWOBG-UHFFFAOYSA-N 425.510 1.184 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1C 480610706 OXFDUYAAWDHBGC-IBGZPJMESA-N 449.964 1.951 30 10 IDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccc(C)cc1 481368401 JWQDFHUSLYBZOU-UHFFFAOYSA-N 429.546 1.849 30 10 IDEE Cc1ccc2nc(CNC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[nH]c2c1 484086331 ZEVKWQKYIHNLLJ-SFHVURJKSA-N 430.468 1.671 30 10 IDEE CC(C)c1nnc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 484990549 WGMZNQRNESVAIX-UHFFFAOYSA-N 434.547 1.478 30 10 IDEE CC(=O)N(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 486360732 NVPFPFJCHQWELW-UHFFFAOYSA-N 426.498 1.688 30 10 IDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)n1 488324250 CYTLMSDOFNEVGV-KRWDZBQOSA-N 446.552 1.929 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 508648420 IKRWAUJDQQCOCJ-OAHLLOKOSA-N 441.301 1.651 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccccc3OC(F)(F)F)CC2)n1 555841015 FWYBQDAQQNNRGU-UHFFFAOYSA-N 433.390 1.817 30 10 IDEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCN(S(C)(=O)=O)CC1 559003371 AJTLQUMTNXVKOO-UHFFFAOYSA-N 430.578 1.889 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(CC#CCN2CCN(C[C@H]3CCCCN3C)CC2)CC1 560159151 JOMFGOMGPQLANH-CLJLJLNGSA-N 444.712 1.194 30 10 IDEE C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1 574126771 FGOISXGOUCQDDL-BEFAXECRSA-N 426.498 1.142 30 10 IDEE CON[N+](=O)CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 585088907 JUGSAEJPMDSSJI-MGPUTAFESA-N 449.509 1.460 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1Cc1ccccc1 609333627 WMYQJKJGGVXDSA-UHFFFAOYSA-N 449.532 1.232 30 10 IDEE Cc1nc(=NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)n(-c2ccc(C#N)cc2)[nH]1 610112482 MDFIROFGUHSMMT-UHFFFAOYSA-N 425.408 1.964 30 10 IDEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732155495 CMXKZWALZLDUGZ-VXPUYCOJSA-N 434.518 1.121 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CCN1C1CC1 732707911 INNMUJBJTKHRGL-HXUWFJFHSA-N 447.495 1.841 30 10 IDEE CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224622 UJFOPSALMZMJDQ-KRWDZBQOSA-N 436.534 1.451 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 767726531 SSWAMWPOAYSDGA-GJZGRUSLSA-N 431.507 1.052 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)c(C)o1 767952784 MDCOTKMGFAHFKB-KRWDZBQOSA-N 427.526 1.424 30 10 IDEE N#Cc1nccn1CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 770635251 AREFOMTZPXNWMX-NVNXTCNLSA-N 441.494 1.501 30 10 IDEE C[C@H](CC(=O)NCc1cccc(N2CCOCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 774019663 YZTMMDKDTLXTSA-OAHLLOKOSA-N 443.529 1.052 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)n1 788849098 JKVIKLXSHDCRJO-FQEVSTJZSA-N 444.605 1.725 30 10 IDEE C[C@H](C#N)Oc1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 792741586 YWEXRVYHCWUGND-UYAOXDASSA-N 436.560 1.914 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793468654 NWCMFPVSKSBJMK-UHFFFAOYSA-N 435.509 1.034 30 10 IDEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 803850870 STLMDPYWDCMUBA-UHFFFAOYSA-N 448.888 1.297 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1F 807941852 YAGYKDLYWZVSDZ-MRXNPFEDSA-N 432.481 1.763 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 812054595 KKJYUYHTZCHDNQ-SFHVURJKSA-N 429.546 1.286 30 10 IDEE COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916871519 WVQCKCXAHIYKLI-QGZVFWFLSA-N 441.937 1.602 30 10 IDEE CC(=NNc1nnc(SCC(=O)NCc2ccccc2)n1N)c1ccc2c(c1)OCO2 1083947659 DCIGEHUMJNSJHJ-UHFFFAOYSA-N 439.501 1.965 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)C[C@H]3C3CCC3)CC2=O)cc1Cl 1130215295 CLDBINJKGTUPFW-YJBOKZPZSA-N 435.933 1.990 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 1144028528 SKDCAFQLWCCEAG-UHFFFAOYSA-N 428.277 1.825 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)c1 1162373771 RMUIXCWAGYJWLW-ZDUSSCGKSA-N 433.511 1.585 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)c1ncon1 1163868475 ALOKCHWXSVQIHL-KSSFIOAISA-N 425.470 1.708 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1165489238 KITOOZQLAAPFAI-HXUWFJFHSA-N 429.498 1.385 30 10 IDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)O1 1183325718 VKKIDKPKMPFPNS-WCQYABFASA-N 426.267 1.670 30 10 IDEE C#CC[C@H]1CCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1226341043 NEMLJOYUDOFWFO-QFIPXVFZSA-N 426.561 1.827 30 10 IDEE N#Cc1ccc(/C(O)=C(/C(=S)NCC(N)=O)[n+]2cc(O)cc(Br)c2)cc1 1254870555 YFQGRILGWDLDAY-UHFFFAOYSA-O 434.295 1.600 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286282494 NSKNPBYWZFKACW-ZFWWWQNUSA-N 426.477 1.408 30 10 IDEE C#CCCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286335124 OCUYJSKCJDNDAL-QFIPXVFZSA-N 433.553 1.417 30 10 IDEE C#CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286336124 VKEYPZATRSQHSF-VGOFRKELSA-N 444.536 1.206 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC(=O)NC(C)C 1286337634 OTEMJFIEQXQHQD-UHFFFAOYSA-N 445.593 1.921 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1286353210 SFURNDFZKVFJTO-JKSUJKDBSA-N 432.525 1.312 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286391491 IWOQNNGVNVMPJS-RBUKOAKNSA-N 445.589 1.476 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1286397160 XXRYVAWVWGJBJX-OALUTQOASA-N 429.546 1.898 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1-c1ccccc1 1286401665 SYMKMNPUCYDVRY-QHCPKHFHSA-N 431.500 1.632 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1286409504 MYQXENCOJUIKFI-FQEVSTJZSA-N 439.541 1.397 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286475428 ZVSBEEYLFGUODU-HXUWFJFHSA-N 439.608 1.875 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(CC)CC)N(C)C)CC1 1286483229 DCPSDRUCBMZLIP-FQEVSTJZSA-N 429.613 1.522 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H]2COCCO2)CC1 1286494458 PEJGQUNQJYMHMO-LJQANCHMSA-N 443.573 1.702 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCCCC)CC1 1286645405 CJAKAQTUBPSUSV-GOSISDBHSA-N 441.598 1.974 30 10 IDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C)C1CC1 1286736306 DCEYBCQKGCCJCK-INIZCTEOSA-N 434.541 1.830 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2)C1 1286788045 OUSGDAFMLKSAFJ-ZWKOTPCHSA-N 445.545 1.060 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](C(N)=O)C2)cc1 1286794439 HALFSRFTPKREGC-KRWDZBQOSA-N 447.499 1.850 30 10 IDEE C#CCN(CC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C(=O)OC(C)(C)C 1295560920 VRXVNWOOZQLXNX-QGZVFWFLSA-N 427.567 1.710 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1300393380 VLWNDOCMKPLQHS-OALUTQOASA-N 444.532 1.956 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1c(F)cccc1F)N(C)C 1300431082 SOCNFPOIDDNTRJ-CZUORRHYSA-N 440.520 1.539 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1300601697 KGMDWFMYXJTTIE-INIZCTEOSA-N 444.561 1.523 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1300672043 UFPOLSCIXVWRHR-ROUUACIJSA-N 430.530 1.270 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@H]2CO)CC1 1300703654 NZGKBDOOCRYMPN-QFIPXVFZSA-N 437.592 1.256 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1300862761 DOZWADGPVYGGDD-WMZOPIPTSA-N 432.569 1.846 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1 1300892872 VYISJJWQKQENRP-UGKGYDQZSA-N 444.580 1.734 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1300971777 ALXKBDGXJOFYSJ-LJQANCHMSA-N 432.569 1.265 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301217083 YTFFKVUBHFRMNK-IBGZPJMESA-N 443.596 1.720 30 10 IDEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301260086 VXUHPIOLOZHRLI-SPEDKVCISA-N 433.553 1.626 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCCC2=O)CC1 1301500324 LBCVYQODWUVPGI-QGZVFWFLSA-N 430.553 1.456 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(C)(=O)=O)C1 1301546437 RQJLSBXEQHCITG-HNNXBMFYSA-N 435.506 1.004 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1301805129 FTKDBNGTXYDRHM-UHFFFAOYSA-N 427.553 1.942 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1 1302923629 BCUFHAGLIZPTMB-UHFFFAOYSA-N 438.962 1.613 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc3cccc(OCC)c3o2)CC1 1311555568 JGHVJAVOVJXXJH-OAHLLOKOSA-N 434.518 1.687 30 10 IDEE CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315163948 DDUVGMRTISROGD-MRXNPFEDSA-N 441.511 1.773 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1315842107 YBSYOKAPOTZVQD-HOCLYGCPSA-N 438.529 1.918 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1319886554 WTBSEJQSAFJLCC-GFCCVEGCSA-N 426.454 1.980 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1358873784 OBWNZDPVURNAII-VPOWZBDMSA-N 442.520 1.303 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1358889878 IERCRKNRRBRZTH-CRAIPNDOSA-N 433.534 1.578 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1358930157 PKHQOXQLVFZONQ-JKSUJKDBSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358966349 NBBWZCUJWREABD-UYAOXDASSA-N 433.622 1.979 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1358998759 RLPSPWHPBIVJDS-MBSDFSHPSA-N 443.548 1.964 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1359019610 ZRCRWEHPQVSTNW-QHCPKHFHSA-N 443.548 1.460 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)N(CC)CC)CC1 1359028448 SGUDQVQBINAHJC-LJQANCHMSA-N 441.580 1.848 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(OC)CCOC2)CC1 1359030674 BIAZFHOASNMUCR-QHCPKHFHSA-N 441.532 1.523 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1CC 1359057569 CYYSBBBUHDWFDD-ULQDDVLXSA-N 441.623 1.602 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COCCOC)C1 1359076249 WPIVULRYXZCHPE-HNNXBMFYSA-N 442.358 1.912 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCOC2)CC1 1359179171 NUHFPWUEDVXOBJ-MSOLQXFVSA-N 439.582 1.440 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359255733 IYTBBSFCGUUSJL-NRFANRHFSA-N 427.530 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1359296981 AKRSTADHGTXODB-IRXDYDNUSA-N 441.536 1.010 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1359334312 AKNTXUGEWQGWGH-QGZVFWFLSA-N 436.582 1.602 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1359633335 FWRIGFAYDBKMOZ-UHFFFAOYSA-N 439.520 1.217 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1360135850 CAVWIPASRLYTDV-SFHVURJKSA-N 430.578 1.894 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1360288780 GJQMAJNAAQDITP-UHFFFAOYSA-N 431.504 1.458 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1444958364 NWEHOVIYYJWTBX-DLBZAZTESA-N 439.472 1.155 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 1454294388 HPEOLFPFQDCUPT-ZHRRBRCNSA-N 440.537 1.879 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)nn1 1464230540 OCRPKYNDHZMRLI-UHFFFAOYSA-N 432.275 1.333 30 10 IDEE CCc1ccccc1-n1cnnc1SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191137 CWGZVHNSPBLDNU-HNAYVOBHSA-N 431.543 1.319 30 10 IDEE Cc1cccc(Oc2ccc(NC(=O)Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)cc2)c1 1473077410 SXHABYYARZHNIN-UHFFFAOYSA-N 434.452 1.922 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)C1 1478351411 XMAFKOPAGPXNDH-SFHVURJKSA-N 436.553 1.766 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCNC(=O)c3cccs3)CC2)c1C#N 1492727718 DVZBKYACGZXCSK-UHFFFAOYSA-N 439.549 1.318 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1494610873 GCGQJSAJDJWESI-BBRMVZONSA-N 425.518 1.747 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccc2OC)CCOC1 1502727697 BVNXWWLRHPKGAV-PGRDOPGGSA-N 427.505 1.910 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1507617598 WQPSJZKKXDQHEE-LPHOPBHVSA-N 445.545 1.247 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507626076 MUUYUUOFEHNVIY-WBVHZDCISA-N 439.582 1.859 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507630811 IBVZGHSJPLZYGF-RTBURBONSA-N 435.594 1.139 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1507631746 SVJYJZIYMNGATF-DYESRHJHSA-N 432.546 1.900 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCS(C)(=O)=O)CC1 1507727570 QHTKVJVKMCKIQO-UHFFFAOYSA-N 445.589 1.664 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)C1 1508117419 UFGLXGILJMBKSF-MZKRTTBSSA-N 449.596 1.821 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1508423585 IABUMZFYJNZSSQ-WBMJQRKESA-N 431.447 1.731 30 10 IDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1CC[C@H](CO)O1 1509605907 LGYNPWKPOAASPO-VQTJNVASSA-N 438.532 1.997 30 10 IDEE CCCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1515105978 HMQDXGOHUDKMMW-UHFFFAOYSA-N 434.504 1.458 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)Nc2ccc(F)cc2)CCOC1 1516219948 DXRISUDYZXVZED-DYESRHJHSA-N 444.467 1.437 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H]2OC)CC1=O 1519205157 ABZHCTKWQDYYES-WOJBJXKFSA-N 438.532 1.927 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)OCC 1531937071 QEXVELDLBOAHIF-HNNXBMFYSA-N 430.910 1.353 30 10 IDEE CCn1c(CCC(=O)Nc2nn(C)c(C)c2C#N)nc2cc(S(=O)(=O)N(C)C)ccc21 1537537378 PUQNTPCNGAKULQ-UHFFFAOYSA-N 443.533 1.791 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1539013283 IIXYCUVMEUWGRV-RDJZCZTQSA-N 447.536 1.136 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1ccnc1C 1539191075 ZVAOLLKITIEKDG-UHFFFAOYSA-N 432.576 1.917 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539207180 ZRIRWLPSMYJKCX-FUHWJXTLSA-N 431.562 1.531 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1539230136 KNOVKBKFYXIHPV-UYAOXDASSA-N 430.574 1.973 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2sc(C)nc2C)CC1 1539447486 SMYRXIKDYRIKKO-QGZVFWFLSA-N 448.618 1.251 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@H]2COCCO2)CC1 1539461509 GVBDTTRPGPQLGA-LJQANCHMSA-N 441.532 1.426 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1539481504 ANWNHNNQNAIGMT-INIZCTEOSA-N 432.569 1.967 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1539981026 CNOYQCUMZHIMSE-ODIFPOPNSA-N 426.587 1.738 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540198897 SRGVILZIGVELPO-SJORKVTESA-N 427.571 1.092 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCN(C)C2)C1 1540886292 ZMGATFWRZFBKBC-GHTZIAJQSA-N 428.493 1.701 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCC1 1555665154 VBBZOARHYLXJFB-MJGOQNOKSA-N 431.585 1.663 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 1556817366 UTJLMWVGWHVPAF-PZJWPPBQSA-N 431.489 1.819 30 10 IDEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1557577854 JJHVMLJQKUVXCI-INIZCTEOSA-N 429.336 1.662 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1558829960 WVARTPJDYFBOTE-UHFFFAOYSA-N 435.502 1.279 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C[C@H](O)COc3ccccc3C#N)CC2)C1 1559973191 GQJAEBBTZZPECS-QUCCMNQESA-N 443.544 1.953 30 10 IDEE CC(C)(CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1COCC12OCCO2 1564905755 CSDBCSCZCHGOSW-IBGZPJMESA-N 432.496 1.945 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1567949959 PCOQQROUCYLALE-GRDNDAEWSA-N 438.937 1.399 30 10 IDEE Cn1cc(I)c(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)n1 1569210468 WKFFLNASOLXTPE-UHFFFAOYSA-N 447.240 1.594 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1588801179 YEUGHMMCGIMRGY-UHFFFAOYSA-N 428.541 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1588924179 WOXLIUKATPIMTN-IAGOWNOFSA-N 439.564 1.848 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC[C@H]2CCCO2)CC1 1588930092 NIOOOHGAMHNONX-WOJBJXKFSA-N 445.564 1.334 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594498807 XNYWQXXININWOR-HUUCEWRRSA-N 430.596 1.406 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)NC)C1 1595700153 LDPLRTAKZNWQAU-QGZVFWFLSA-N 442.545 1.824 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1595838426 RXAMQBIYGYIPKO-UHFFFAOYSA-N 430.582 1.761 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cc[nH]n1 1616286089 WGKXZFAHCIFHPO-PGRDOPGGSA-N 446.479 1.723 30 10 IDEE CN1C[C@@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)C1=O 1618463875 QTUXZJNXRKZRHW-RTWAWAEBSA-N 441.561 1.878 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H]1C 1619937124 AHLFAOLRNZUMBV-QGZVFWFLSA-N 425.537 1.500 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCOCC2)CCO1 1620354517 HDILZMUQBKVGMI-KRWDZBQOSA-N 428.449 1.514 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1620656772 XVYNYHYCACLVQU-FZTQNYJHSA-N 440.566 1.313 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CCOCC3)n[nH]2)cc1 1624927229 VHQNLDSNEDGIBZ-BWAHOGKJSA-N 446.533 1.693 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)c1 1628052084 LCBUWVGXTDMCKI-VQTJNVASSA-N 426.494 1.627 30 10 IDEE CNC(=O)NC[C@@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 1629587735 PLKKFTOMTNVONY-OAHLLOKOSA-N 442.476 1.179 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 1630259453 KHPWKDJTJIGTQU-UHFFFAOYSA-N 427.939 1.245 30 10 IDEE Cn1cc(Br)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1=O 1634589320 ZRYSRXQXSNXAAV-MRXNPFEDSA-N 429.274 1.550 30 10 IDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCN(Cc2ccccc2)C1=O 1635973806 UMTMDRNVPCTOAK-LJQANCHMSA-N 429.473 1.996 30 10 IDEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1636816143 AHTAPQGVIZUDSO-JKSUJKDBSA-N 426.539 1.441 30 10 IDEE C=CCC[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1640864566 ZRSFHSADNWQNOM-UAGQMJEPSA-N 444.937 1.478 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)CC1 1650845971 CRBIIRZSQVJKOB-UHFFFAOYSA-N 446.554 1.534 30 10 IDEE N#Cc1ccnnc1N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1655152607 SWMJSSRNBHNXJR-UHFFFAOYSA-N 436.335 1.707 30 10 IDEE C=C[C@@H](COC)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1662935646 UVXDRLFFMFZALQ-JTQLQIEISA-N 439.271 1.866 30 10 IDEE C#CCN(C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2)[C@@H]1CCS(=O)(=O)C1 1675137318 CXAPNEVQEAJJER-LLVKDONJSA-N 431.392 1.691 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)CCS2(=O)=O 1681994024 TVDFUJGJJDJYJL-HVEKOLDVSA-N 439.921 1.910 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689860973 MBBKHBPLDQWHPF-ZWKOTPCHSA-N 431.562 1.639 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1689873745 VOIHNPAKYHCDQM-UHFFFAOYSA-N 438.580 1.763 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1689978311 RXJFLCZEYDUCID-AWEZNQCLSA-N 429.493 1.088 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986705 VPHSCMMPNWHYRF-SFNQZPIRSA-N 449.602 1.514 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1689991255 YZOFNHZPOQWAHC-MRXNPFEDSA-N 435.550 1.676 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1 1690005750 BIIYIIPAEKXONQ-UHFFFAOYSA-N 448.346 1.701 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(-n2cccn2)cc1 1690102138 DFWQDCCHBBCQKF-HXUWFJFHSA-N 433.516 1.744 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2oc(CC)nc2C)CC1 1690110703 WPHWWHPBCCECHQ-UHFFFAOYSA-N 427.553 1.859 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](COC)OC)CC1 1690120100 GKCGXTNQWGHTNU-OAQYLSRUSA-N 435.532 1.547 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1690313035 JXEKBOHBKLKBAW-INIZCTEOSA-N 433.534 1.436 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1690497188 JSOICCSNAKCYFN-MAUKXSAKSA-N 429.612 1.814 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 1690670088 YQHXSXCXQJPZCR-VPQXBJNXSA-N 444.561 1.466 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nncn2CC)C1 1690687778 JDWAIULWXYSKJO-UWJYYQICSA-N 431.541 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690722692 SBKFXDXZOGIQTG-INIZCTEOSA-N 447.565 1.029 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)[C@H](C)C1=O 1692423387 DNGPROHXPJOLSW-MRXNPFEDSA-N 433.520 1.687 30 10 IDEE CC(C)N(CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1692484282 GKMYRWNVGHEZIC-INIZCTEOSA-N 429.525 1.853 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccccc1CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 1705561905 VPEWBTNBKNTUGL-FQEVSTJZSA-N 441.557 1.384 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705564784 QCXMLYIDGWUAPV-OALUTQOASA-N 442.589 1.841 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC(OCC)C1 1705581905 OFINRNZYYPFORN-UHFFFAOYSA-N 449.559 1.455 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2ccn(C)n2)n1 1705631501 HOZAGDGWBWRHRZ-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCSC2)CC1 1705647120 AONVXAVWZSTSLU-MRXNPFEDSA-N 425.562 1.844 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728701 SKOJAAVOXPUTNJ-XMSQKQJNSA-N 433.553 1.722 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705735123 JUAXGFQSLBTMHI-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC[C@H]1C 1705930281 KATJWTVBJRSCJD-ZNMIVQPWSA-N 433.600 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCCC2)C1 1705938361 WGSICGFKAZNLLO-UHFFFAOYSA-N 437.566 1.151 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1706237983 CLMVUXXKJXXVJW-UHFFFAOYSA-N 439.520 1.060 30 10 IDEE Cc1ncsc1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1707002590 AUFSTJDFGVUHKV-UHFFFAOYSA-N 445.574 1.810 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1712699971 ORFNMLMIGBHDJQ-HXUWFJFHSA-N 431.518 1.247 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722307549 ZRLKIHGHCLVCMU-UHFFFAOYSA-N 430.553 1.295 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](COC)OC)c1 1722308941 HZPSPISSQGOUFM-MJGOQNOKSA-N 427.505 1.500 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722364482 HKBAAPFVXKUGKF-RTBURBONSA-N 443.573 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1722390523 DCPSEWRSBSWEHA-HSZRJFAPSA-N 439.516 1.854 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1CC 1722416158 XJHBALPQNYUOJN-UHFFFAOYSA-N 447.591 1.762 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1722428828 KVLUDOSABQATNK-MOPGFXCFSA-N 437.610 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)[C@@H](C)CC)CC1 1722432932 JHAZGSNFKXBYAP-NZQKXSOJSA-N 432.613 1.804 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722470823 WTHDEVPDKKGDSW-HSZRJFAPSA-N 431.500 1.529 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722491249 JFNCHUZLLHKWKQ-AOIWGVFYSA-N 444.580 1.700 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1722537641 QBMJJZIPCBYZJX-GOSISDBHSA-N 443.552 1.808 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1722538008 SLZDYGAPPFUHBZ-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE Cc1cc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CC2)no1 1724225351 ABUQTSUDGCJGEE-UHFFFAOYSA-N 448.531 1.960 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2=CCCCC2)C1 1731015355 QVTVANKTZKRZSY-LPHOPBHVSA-N 438.529 1.553 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740620880 HDAOFJRCMKYEDR-UXHICEINSA-N 444.605 1.943 30 10 IDEE C#CCN(c1nnc(CC)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740624225 DWURLOLUPCAAFY-MRXNPFEDSA-N 439.582 1.724 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1740625199 DQDFKAMWYVSHSY-IAGOWNOFSA-N 426.608 1.940 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1c(O)nc2ccccc21 1740633186 YRMCWZKBMXIKCR-HSZRJFAPSA-N 434.500 1.759 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCCC1 1740644570 LUJWYTUNQYZELZ-FPOVZHCZSA-N 427.549 1.868 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1740648189 GKNPNEPIBWFACM-HNNXBMFYSA-N 425.880 1.445 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740697059 QCUVDWLAPONZIB-UHFFFAOYSA-N 430.578 1.188 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740698818 WUXNWOBYJADTDY-UHFFFAOYSA-N 443.573 1.534 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCOC 1740729831 MVOZXMCKQVBKDW-HSZRJFAPSA-N 436.516 1.847 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740809436 MIRGXANRYJRDHD-KDOFPFPSSA-N 430.944 1.476 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1740888014 ONXRJCNQAHZZRG-MOPGFXCFSA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CC[C@H]1C2 1740960220 NNHDOJQIQCRSPO-ULQDDVLXSA-N 446.552 1.877 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1741150440 ALRZAKIZSOVZBE-MSOLQXFVSA-N 435.532 1.694 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccccc2)CCOC1 1741730608 CEWGQGPXGKYWGR-WTIAFYNJSA-N 441.532 1.955 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)NCC(F)(F)F 1742834320 ARAXNABUDFIJIC-UHFFFAOYSA-N 425.390 1.602 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C[C@H]1N1CCOCC1 1744990462 WFKWUXUFUBGRJR-UYAOXDASSA-N 437.548 1.500 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1OC 1748784151 CRNSJHCTXCXYKK-WBVHZDCISA-N 432.550 1.359 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1748860110 WISHIUIAEBDMIC-KRWDZBQOSA-N 433.559 1.102 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCOCC1 1748948583 SIKRJNZKPJPMIX-UHFFFAOYSA-N 441.532 1.775 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)SC)CC1 1748990039 UFWODLBLBCZQBJ-SFHVURJKSA-N 440.621 1.959 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749082912 HMPYAFRMVSJLKR-GFCCVEGCSA-N 434.360 1.292 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1749149064 POBCASXUEXNYJT-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749626075 MRTZUJXIKGRHDQ-GOSISDBHSA-N 429.569 1.186 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1749627261 JHFGYXYAKAYDRM-WOJBJXKFSA-N 427.549 1.920 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C)=C(Br)C1 1749650169 LXYMNCYXHIHXEB-UHFFFAOYSA-N 437.342 1.695 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749661117 ZAAGHQXKPYMQBT-FQEVSTJZSA-N 449.559 1.668 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1749711770 CDUJXPOXLWRILR-MLHJIOFPSA-N 440.566 1.013 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1750203324 CAJCMWYDLNOSSJ-JKSUJKDBSA-N 431.474 1.366 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1750385130 CRGKSKKCRAUXDY-LSDHHAIUSA-N 425.459 1.853 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760187070 TWRYVEDWYPWRCA-HZPDHXFCSA-N 439.582 1.723 30 10 IDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC)[C@@H]1CCS(=O)(=O)C1 1760190169 STXBCJUUCRTQKA-OAHLLOKOSA-N 440.529 1.229 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1760219851 QATWNNQLDLHFTE-KNQAVFIVSA-N 435.528 1.974 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1760219884 RGCITXBAORPFLX-HXUWFJFHSA-N 441.557 1.431 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[C@H]1COCCO1 1760243500 MOQOITHUEQUAER-FQEVSTJZSA-N 441.507 1.985 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760306129 CFTCEEDMSHYARN-YUTCNCBUSA-N 433.372 1.950 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1760324328 JMXICXCZVMAHGG-VGOFRKELSA-N 440.548 1.716 30 10 IDEE C=CCn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760512987 FGMLHXBFMSJHIL-QFIPXVFZSA-N 434.585 1.495 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)OC 1760549196 YOCALCWIHKBUTE-UHFFFAOYSA-N 427.914 1.460 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760805430 HHIVXOQUHACBKS-PVQQOCSKSA-N 445.545 1.837 30 10 IDEE Cc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762629768 HDIDWHSRKSYEHJ-ONNQFXDFSA-N 426.452 1.830 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)C)c1 1769921601 HYFNDRZPIIENRB-GOSISDBHSA-N 428.493 1.463 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1770138755 UGXFBNWRPYZWQC-IBGZPJMESA-N 439.520 1.474 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1771350947 GBBUKOWMBHSPCS-FXAWDEMLSA-N 433.509 1.817 30 10 IDEE CS(=O)(=O)CCN(c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1771354953 CBTLVKAFRWTIJQ-HTXNQAPBSA-N 448.549 1.085 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)F)CCOC1 1772844926 YKOJMIPHGMCQNT-LJQANCHMSA-N 426.468 1.440 30 10 IDEE C=CCN1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 1851666335 FZNTZKRDAGTYLQ-UHFFFAOYSA-N 439.299 1.614 30 10 IDEE CS(=O)(=O)N1CCN(CCNC(=O)c2cccc([C@H](C#N)c3ccccc3)n2)CC1 1853371194 AUIOIJQQPCIKPJ-GOSISDBHSA-N 427.530 1.044 30 10 IDEE Cc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOC[C@@H]2CCCO2)n1C 1853418664 QLTGAFZSNXRJSS-HNNXBMFYSA-N 432.502 1.664 30 10 IDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1=O 1855342016 JWTGNDGEDAKYEQ-KRWDZBQOSA-N 426.498 1.924 30 10 IDEE CCOC(F)(F)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856849659 YXUDJGQXKAJRAF-OAHLLOKOSA-N 427.429 1.798 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)CCC)c3ccccc32)CC1=O 1857421412 KMBYBIKHXLLPIW-JKSUJKDBSA-N 433.530 1.919 30 10 IDEE CC[C@H](NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1)C(=O)O 1858651210 JRNGQLAMGXYORS-KRWDZBQOSA-N 444.469 1.339 30 10 IDEE COc1ccc(-c2cc(C(=O)N[C@@H](CO)C(=O)Nc3cccc(C#N)c3)nc(O)n2)cc1 1866622033 JAXXXJDPUZCJQS-IBGZPJMESA-N 433.424 1.459 30 10 IDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873563017 DJOZLLIFOQVMKZ-UHFFFAOYSA-N 432.528 1.756 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccccc4)nn3C)CC2)CC1 1889499025 LCRPFHHWGWDOAQ-UHFFFAOYSA-N 435.572 1.959 30 10 IDEE C=C1C(=O)O[C@@H]2C[C@@H](CO)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]12 1933296095 MJAHIVDNGNEUAZ-HXFGRODQSA-N 438.473 1.476 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073756600 JUNNHGMXUMCKFN-PXIJXODZSA-N 437.346 1.840 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124524544 TUZGMOMCVMKPGH-YJBOKZPZSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255626798 KQQCZARBSDJFFN-LRTDBIEQSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](F)C1 2255632949 UROMAWYUOWJPRF-OLZOCXBDSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256654827 VDIFGQPIJJTUCQ-OAHLLOKOSA-N 435.330 1.984 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2256922283 FBRGFYNUPPMKCA-INIZCTEOSA-N 429.282 1.119 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267113130 PNWUTCBMRZWDCQ-ZIAGYGMSSA-N 449.361 1.680 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267126106 JXENSZBCBNASHK-CVEARBPZSA-N 446.357 1.943 30 10 IDEE Cn1cc(C(=O)N2CC(C3CN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178876 IJSTVECPNWCYTA-UHFFFAOYSA-N 446.357 1.658 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267270119 JORGFWMYVFMOMA-LRTDBIEQSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267516921 LCQCXXCXVIZCQS-ZCDTZLGTSA-N 448.329 1.119 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267588495 MNCWZWCFNKTHOH-STQMWFEESA-N 441.259 1.910 30 10 IDEE CC(C)(C)CN(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270508597 NJZLSHXATGXNGI-INIZCTEOSA-N 425.507 1.958 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC34OCCO4)cc2F)OC1(C)C 2282831797 DYXDFWHAQVXTSH-INIZCTEOSA-N 427.303 1.699 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)ccc1OC 2330718147 NQCZWFVNVBZPJJ-UHFFFAOYSA-N 448.549 1.774 30 10 IDEE COc1nc(O[C@H]2CN(C)C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339824593 NSPULNPRXONLJG-HOTGVXAUSA-N 449.357 1.976 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2341163296 RKQCMESWOKUKLP-KKUMJFAQSA-N 446.357 1.847 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccc4c(c3)OCO4)n2)o1 59879416 FNCIKVKDXAZWJJ-UFFVCSGVSA-N 444.477 1.723 30 10 IDEE COc1ccccc1OCC#CCNC(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCC3 90729819 UTHFFXBNYWTKFW-HNNXBMFYSA-N 425.510 1.976 30 10 IDEE C#CCN(CC(=O)Nc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 111046488 BXOYDUJJHFUCQY-CQSZACIVSA-N 432.283 1.352 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3ncc(Br)cn3)CC2)o1 433001366 ZQORXMKLMGSHNP-LLVKDONJSA-N 434.298 1.407 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@@H]1CCCO1 447264275 AZHJQTJCUSWTBT-LBPRGKRZSA-N 437.974 1.831 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)OC)cc(S(C)(=O)=O)c3)cc2C1=O 468218001 GAISHWHRZWDHOZ-UHFFFAOYSA-N 442.449 1.911 30 10 IDEE CC(C)(C)NC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2cc(C#N)cs2)c1=O 481033553 GARZOIFNCCMDAB-UHFFFAOYSA-N 431.583 1.982 30 10 IDEE Cc1occc1C(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481510267 TXUINGVIRQZFBL-AWEZNQCLSA-N 444.513 1.548 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@@H]1CCCO1 505698862 CVCONXICRGPURY-KRWDZBQOSA-N 435.505 1.617 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COc2ccccc2)C1 508826132 HKXMYDLOTIIYOL-IEBWSBKVSA-N 447.561 1.702 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 508928852 DHGZLDVTWBPENN-UHFFFAOYSA-N 438.540 1.455 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@H]2CCCO2)c1=O 512721414 VGUUQZYEJGPJAR-GOSISDBHSA-N 449.536 1.447 30 10 IDEE CC(C)OC(=O)[C@@H]1CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533515473 QFWYQJCWAPUMHB-KRWDZBQOSA-N 441.488 1.871 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)CC2)n1 546882802 VQTOMHHKULAWED-UHFFFAOYSA-N 447.543 1.888 30 10 IDEE Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1C[C@@H]1CCCO1)CC2 555365945 PNQOJCBVSCAKRJ-IBGZPJMESA-N 447.499 1.564 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1C 589758784 JRSPEIFDDPWIHY-KRWDZBQOSA-N 441.553 1.434 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 604308823 SIJQVKVEIRZWPR-KNQAVFIVSA-N 428.533 1.051 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 606903890 MDCAYZIFYQQYDC-UHFFFAOYSA-N 425.860 1.967 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609254673 YIKOVISDDRICGV-UHFFFAOYSA-N 435.481 1.908 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 746446965 OUGPZXDKMGUPEB-INIZCTEOSA-N 428.436 1.982 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751678799 LPCYKJXPNWDBMF-ROUUACIJSA-N 447.561 1.433 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)c1 763459994 CXAPUHGDUNFMMH-UHFFFAOYSA-N 429.505 1.235 30 10 IDEE COc1ccc(Cn2nc(C)c(C=NNC(=S)NCCN3CCOCC3)c2C)cc1 767367720 USILYMDAWPTTDH-UHFFFAOYSA-N 430.578 1.687 30 10 IDEE CN(C)c1nc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ns1 771314993 GZNCWODRCRUFRS-UHFFFAOYSA-N 435.531 1.620 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)n1 790105974 KNWKMQHGOBVBQM-UHFFFAOYSA-N 425.457 1.943 30 10 IDEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O 795466613 CFPLEKDGBCDOOU-CVEARBPZSA-N 439.559 1.360 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CSC2(C)C)cn1 802719780 ACYGEQUBNHHHDD-GJZGRUSLSA-N 438.623 1.796 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccccc1 804673899 CYNUSUKQSGKOSW-SFHVURJKSA-N 429.521 1.473 30 10 IDEE CCOc1ccc(OCC)c(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2cnn(C)n2)c1 807941835 XSCQTGWXQWOWDJ-KRWDZBQOSA-N 446.533 1.880 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 809894168 ZVBLPDRNGACDEG-HNNXBMFYSA-N 443.570 1.643 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)NCCN1CCc2ccccc21 919097232 HJCIXPJKONZKKK-UHFFFAOYSA-N 446.511 1.873 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)c1 1084092463 RWCMAWYNDVRJOV-UHFFFAOYSA-N 429.510 1.955 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1196428967 APUDUJRYAHIHHY-WIYYLYMNSA-N 435.594 1.025 30 10 IDEE Cc1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(C#N)cc1N(C)C 1205941850 GBDIYGBBQOHYLJ-QGZVFWFLSA-N 435.550 1.591 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1224761213 FFNSYGQFAHCKFN-UHFFFAOYSA-N 449.480 1.340 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1286375961 BEGWRFBCLFUPGI-OAHLLOKOSA-N 425.555 1.555 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1286388749 BKFBSDAXVZSQOH-QGZVFWFLSA-N 430.534 1.179 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1286392907 CZLBZWXAIWSUEC-MRXNPFEDSA-N 439.607 1.170 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2OC)CC1 1286479892 PKXZOXMOHCUWLW-LJQANCHMSA-N 438.532 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC=C)CC1 1286489512 VUUWXJONEHNKDN-UHFFFAOYSA-N 445.531 1.853 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCCCC2=O)CC1 1286490334 QAENGLJDKOWWSV-UHFFFAOYSA-N 437.548 1.642 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286503393 DVMHFPIQHQTGEJ-FQEVSTJZSA-N 425.606 1.923 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1286517837 WKVCGWIWMCGLKX-OAQYLSRUSA-N 442.545 1.742 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1286607880 LBTXGYZVXGWGIS-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286706847 UZLRAWBQDCVLRC-HZPDHXFCSA-N 425.493 1.233 30 10 IDEE C=CCn1c(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286777858 NJMLCTFJYFLJIY-WZONZLPQSA-N 446.596 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1286782893 CJMNYHXYNKXVGH-DOTOQJQBSA-N 443.460 1.379 30 10 IDEE CC(C)(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCCC1 1287618278 PXZSZZOFPSAXFS-KRWDZBQOSA-N 425.489 1.528 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1ncn(C)n1 1288107227 HASUXSIJMVKXBM-UHFFFAOYSA-N 449.519 1.513 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccc(C(F)F)n2)CCOC1 1288321986 NJXOSQDVPUOSTD-XOBRGWDASA-N 449.462 1.823 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1288532076 XNXZVOYJZLFXCQ-BRWVUGGUSA-N 441.598 1.996 30 10 IDEE COC(=O)c1ccccc1CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1289234469 NMMFJAUZZFFIJX-LJQANCHMSA-N 434.452 1.909 30 10 IDEE N#C[C@]1(C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CCCOC1 1292937129 KNBPNKHMKUQXIB-OAQYLSRUSA-N 428.514 1.778 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1299737582 XUWKYTWHVFCPRN-MRXNPFEDSA-N 434.447 1.900 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1 1300126301 DBBIWHXHVKSWLS-ZWDAVXSWSA-N 427.505 1.341 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1300701185 JIGCXZUAVIEYGW-UHFFFAOYSA-N 430.578 1.122 30 10 IDEE C#CCSCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300777689 ABKUKDORAUTPNV-JOCHJYFZSA-N 447.605 1.888 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301237703 VXCJVKINAMLGQQ-QFIPXVFZSA-N 432.569 1.408 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1301477922 FVBMHNDAWQKCFE-INIZCTEOSA-N 439.520 1.151 30 10 IDEE COCCOc1ncccc1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C#N)C1 1302139402 HHVRUMHYVLWSSA-GOSISDBHSA-N 435.488 1.846 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3([S@@](C)=O)CC3)CC2)c1C#N 1304730503 GBYGVAQMPRWCSV-WJOKGBTCSA-N 444.609 1.628 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c2)NC(=O)NC1=O 1320309473 QIQZSEMYODHEEX-WMZHIEFXSA-N 433.468 1.896 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1358896012 VTXVAHNTRQWHEO-PZJWPPBQSA-N 436.560 1.759 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1359001890 GQDKHJDYAJZQCB-GCJKJVERSA-N 428.537 1.790 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1359203323 NEJXLQRWSFQHQH-CVEARBPZSA-N 436.538 1.806 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(CC)C(=O)C1 1359296586 NWSLJRSLMKERPA-UHFFFAOYSA-N 433.516 1.854 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1359298059 LDDNNZFRESLDHK-INIZCTEOSA-N 428.541 1.114 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359300126 UOUPRBALXBNGDP-ROUUACIJSA-N 432.569 1.811 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1359330500 UGXLMUYHWGLMKV-UHFFFAOYSA-N 435.525 1.790 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1359474492 SKSSNTCZVBNXLR-CRAIPNDOSA-N 449.533 1.448 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)c1 1434929462 RPLGMXGCYZUUBO-UHFFFAOYSA-N 439.537 1.920 30 10 IDEE C#CCN(C(=O)c1ccc(Cn2cc(Br)cn2)cc1)[C@H]1CCS(=O)(=O)C1 1435070015 VQJIHWZDJAOWEJ-KRWDZBQOSA-N 436.331 1.956 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)s1 1443987565 BTHGAMJSBUBVCV-MRXNPFEDSA-N 441.619 1.905 30 10 IDEE CON(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)C(=O)OC(C)(C)C 1454925519 VAAYVYNRIRGURF-QWHCGFSZSA-N 425.507 1.624 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN(CCN2CCOCC2)CC2CC2)CC1 1460502196 IFBLICNTKKVXST-FQEVSTJZSA-N 431.606 1.501 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)CC1 1471451298 RBTRXKQNBFWQHF-UHFFFAOYSA-N 433.555 1.958 30 10 IDEE CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1471521235 NVRHUWODNDTQFX-SFHVURJKSA-N 441.532 1.962 30 10 IDEE C=CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nnn(C)n3)cc2)cc1 1471651510 KLWMDKWHJMZVNT-UHFFFAOYSA-N 428.474 1.757 30 10 IDEE N#C[C@H]1CC[C@@H](NC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1478858259 GFNXRWQTKCWVHU-JKSUJKDBSA-N 434.518 1.556 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1507538053 KFYMKMCUGNJGEZ-XHSDSOJGSA-N 432.525 1.323 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)C1CC1 1507616678 LWTICZIXBDDSKP-PMACEKPBSA-N 443.573 1.874 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1(=O)=O 1507707996 FVTBIRLAGLJMSI-QGZVFWFLSA-N 446.529 1.727 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1507723839 WHPLTMSRWQYOPC-FXAWDEMLSA-N 438.532 1.461 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(C)n2)C1 1508127246 UGKLDRBTFUGSJL-NVXWUHKLSA-N 437.591 1.969 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1conc1COC 1516795297 QWWIIUWDHRGOLE-UHFFFAOYSA-N 444.517 1.870 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1520583842 NVXQNNMKKMAEIU-QINHECLXSA-N 443.566 1.816 30 10 IDEE CCOC(=O)C1=CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1528798643 JXPLBKSBGBAKDW-GOSISDBHSA-N 431.514 1.727 30 10 IDEE CN1C[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1538029349 NPKYAQARZKXUIV-HNNXBMFYSA-N 425.449 1.155 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539112183 KWTXMTXUKFOZCL-FQEVSTJZSA-N 432.532 1.441 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 1539126100 RXTFHTZEWYSWJB-IAGOWNOFSA-N 441.623 1.602 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1539203006 MMKAJNIKMXJGAG-OXQOHEQNSA-N 439.651 1.640 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1539211400 LHMBDPQFBPJSME-GJZGRUSLSA-N 437.472 1.391 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(C)C 1539267428 ZSEHVYCKJQFEHT-UHFFFAOYSA-N 434.548 1.393 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1539430346 JCIOEOAWHZPEHS-JQVVWYNYSA-N 433.553 1.095 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccn(C)n2)CC1 1539470428 PBZXRBRFCQNBHC-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539577178 HZEHGSVNWOONRO-CYBMUJFWSA-N 446.371 1.436 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539705070 NSVWEJYNIYIDGJ-QGZVFWFLSA-N 429.525 1.805 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1540119935 NOLWMOUCVUGBEH-IBGZPJMESA-N 441.532 1.972 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540872287 JKIMEDDEFPQNQO-IBGZPJMESA-N 439.495 1.622 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1540873126 NQGAZHAUUGOMHA-MRXNPFEDSA-N 445.593 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1540908455 GZLCBXDPQWLSBP-UZLBHIALSA-N 442.582 1.392 30 10 IDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540917612 ANJDXCJZBCPUOO-QGZVFWFLSA-N 441.561 1.656 30 10 IDEE C=CC(C)(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1544667971 CNBPDTHSBZUZJN-UHFFFAOYSA-N 437.562 1.486 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1548004542 ALDHNBHRXVFRSU-YVHKJVDXSA-N 443.504 1.524 30 10 IDEE CCOC1CC(Cn2c([C@H](C)CC)nnc2N2CCO[C@@H](C#N)C2)(N2CCOCC2)C1 1548017184 FDDCVJNSSYFYCM-QJLFFNEXSA-N 432.569 1.790 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1554481277 IEIZLGRSXKKYRY-UHFFFAOYSA-N 433.472 1.508 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1557387897 ZUOLONGENGAOIH-KRWDZBQOSA-N 447.557 1.943 30 10 IDEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C1CCOCC1 1561770876 OXSHDJVEVUVJII-VQTJNVASSA-N 436.530 1.372 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1587638840 HOHKDSBCQFKMFJ-QFBILLFUSA-N 447.561 1.516 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588050285 QJEXQCCZYGOCRR-PKOBYXMFSA-N 430.578 1.697 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588055506 WQZUARKDOOXLMM-KZNAEPCWSA-N 438.594 1.860 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588064797 PHGSAPGXBQPDIK-AZUAARDMSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1588099155 IGXSNJSOFXWCCF-GOSISDBHSA-N 427.530 1.451 30 10 IDEE C#CCC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1588766109 QZQCBFODWAIGCE-BRWVUGGUSA-N 440.562 1.033 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1588806353 NZKLDBRTJPXOGI-RTBURBONSA-N 426.496 1.511 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)OC)CC1 1595496685 DELWSMBLXZXEAT-UHFFFAOYSA-N 429.437 1.044 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1595569604 KFYKEQUYVWQUII-GOSISDBHSA-N 427.553 1.573 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1616201907 FSTNPFDIKDPONX-HXUWFJFHSA-N 437.566 1.637 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)c1 1617818089 MGAXFWNTQCAOEF-KRWDZBQOSA-N 448.566 1.971 30 10 IDEE CN1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C 1618487942 FFMQSWSIYLSORJ-QHCPKHFHSA-N 442.612 1.557 30 10 IDEE CNC(=O)CCN(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1618774623 AZLLBFUJUXLBMW-HNENSFHCSA-N 443.533 1.029 30 10 IDEE CO[C@](C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)C1CC1 1618922093 GABBQYMOSLBLHZ-SIXWZSSISA-N 440.570 1.164 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@H]1C 1619938571 AUMHUNAPIPMJED-YLJYHZDGSA-N 426.521 1.389 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1620110989 HOAIVNJXQZEMCX-HAGHYFMRSA-N 448.568 1.088 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(n2nncc2I)CC1 1620421036 YHQFQAMCUXNHMY-NSHDSACASA-N 428.278 1.471 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1627475662 LMGMNBCWKXHNML-NWDGAFQWSA-N 447.410 1.606 30 10 IDEE Cc1ccc(C(=O)Nc2ccccc2CN2CCNC2=O)cc1S(=O)(=O)NCC#N 1631759396 IMAIAVGUSYRHOA-UHFFFAOYSA-N 427.486 1.574 30 10 IDEE C#CCN1CCCN(C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1634011700 PWSAXYGQAKKZKF-UHFFFAOYSA-N 428.558 1.582 30 10 IDEE COCCN(CC#N)C(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1637302278 SLFRNDGIYOZKAH-UHFFFAOYSA-N 435.480 1.981 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CCN(C)C(=O)OC(C)(C)C)C(C)C)c1cc[nH]n1 1638730869 HHYDSHZHEHOGNH-UHFFFAOYSA-N 439.513 1.797 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C[C@@H](O)c1cccc(C#N)c1 1643726050 UWRNQAJQOTWRGM-VBKZILBWSA-N 428.514 1.149 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1643854660 QLXKHQGNYWQBKL-JCMYSSTLSA-N 438.571 1.252 30 10 IDEE Cc1nn(C2CCOCC2)cc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1644382908 YLCKYPPBNMBLJS-CYBMUJFWSA-N 431.518 1.999 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1C 1648466967 SVXVXERDQUMASD-LJQANCHMSA-N 428.514 1.787 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H]3CC(=O)N(C)C3)nnc12 1649061778 YXCJRODHFUWYBP-AWEZNQCLSA-N 440.529 1.307 30 10 IDEE COC(=O)[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)CC1CCCC1 1653437542 ZIDPAXLZRFEJPC-ZBFHGGJFSA-N 435.546 1.989 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(=O)c1C#N 1654531287 SHQXDQXTAMIFEQ-TXEJJXNPSA-N 435.278 1.345 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1656530035 NKFYBWWZVRCBBW-AUUYWEPGSA-N 440.443 1.728 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OC 1663616968 YTJBOXVFFDXOHO-SNVBAGLBSA-N 433.284 1.287 30 10 IDEE CC(C)(C)OC(=O)NCC1(c2ccccc2)CCN(C(=O)NCC(=O)NCC#N)CC1 1682184732 DZZPBSGIXWFNOQ-UHFFFAOYSA-N 429.521 1.894 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1682384428 FFBDPJABKFRLPV-IBGZPJMESA-N 433.578 1.493 30 10 IDEE C#CC1(NC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCC1 1683683905 FQYCFHHJWFKTBT-UHFFFAOYSA-N 434.562 1.392 30 10 IDEE CC(C)(CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CS(C)(=O)=O 1684005998 KRQVFCMMWRSBKP-UHFFFAOYSA-N 435.506 1.709 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1689885855 XSTOBYZQDWJSMG-UHFFFAOYSA-N 438.580 1.919 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1689979579 DDVRDIWEGZZJDC-LJQANCHMSA-N 431.562 1.202 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690018068 SQZNFVVTOQJMAT-SJORKVTESA-N 425.455 1.508 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC(C)(C)C2)CC1 1690119787 SKLYMZLIYQOOAE-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2([S@@](C)=O)CCC2)CC1 1690146573 QYFUHVVEURQILZ-WTPASJBYSA-N 447.605 1.787 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690463126 VUNYJTQZZLBXSZ-SFHVURJKSA-N 429.569 1.330 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690506685 XQQZPDTXSZGYQA-HXUWFJFHSA-N 428.585 1.488 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(C)C)C1 1690669994 UXLSCKLXGQTKFW-QGZVFWFLSA-N 437.504 1.757 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1690700345 QWYLLJZRCGOMDW-QZTJIDSGSA-N 447.561 1.453 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1691008188 FOCFUAPPKLIVAX-DOTOQJQBSA-N 441.511 1.480 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1694220906 LKAZGEPFNKDNCM-CSODHUTKSA-N 434.541 1.352 30 10 IDEE CCC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)OC 1695114433 BUHZMFSOONWAIE-RBUKOAKNSA-N 442.520 1.495 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1697012586 DWYOERADOVKALU-UHFFFAOYSA-N 439.520 1.210 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1705532870 RTXXCCMWZURDLC-RBUKOAKNSA-N 445.593 1.719 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705566053 LQQHBMYTFPRIAC-HPGBDJQBSA-N 438.619 1.864 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705704559 WNXWGXNMWJHCMQ-IEBWSBKVSA-N 446.577 1.793 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCN(C)C(C)(C)C2)CC1 1705763388 UTYHEIWNAZPKAQ-QGZVFWFLSA-N 439.630 1.071 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705899974 LZMQGWZZUUKAJX-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1708619826 YAEAPHPRFFIFQZ-RHSMWYFYSA-N 427.465 1.887 30 10 IDEE COc1ccc(OC)c(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1711870221 DKSZLSJLWQPXAU-QGZVFWFLSA-N 426.477 1.308 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1722361461 NJPUBMQSGBILAA-IBGZPJMESA-N 430.578 1.699 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722369058 VCKLKMQNFDMSGI-LSDHHAIUSA-N 432.493 1.428 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1722369172 ZHDSQYWICRLIPP-MSOLQXFVSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1722392034 DHSPDNLRBDEESD-UHFFFAOYSA-N 429.502 1.028 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1722396563 AICVFUMJCPIIBV-HXUWFJFHSA-N 425.581 1.110 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1722427445 VFZTZDGMFCQWSI-GOSISDBHSA-N 439.582 1.277 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722556348 QHLSLWSLHUPUFV-XHSDSOJGSA-N 444.989 1.036 30 10 IDEE C=CCn1c(N2CCN(Cc3c(C)nn(C)c3C)CC2)nnc1[C@@]1(OCC)CCOC1 1722691274 QYTQAUNUDZHYLA-JOCHJYFZSA-N 429.569 1.789 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CCOCC1 1722702207 KZYIXMSLRALPNF-UHFFFAOYSA-N 436.310 1.758 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2)C1 1722716621 WZBSCFZZFIICFC-GOSISDBHSA-N 442.545 1.912 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1724279049 CCUDSSAAAAXYJF-QGZVFWFLSA-N 448.549 1.094 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCn1cc(Br)cn1 1726389789 SNKWEGYJSWMNQW-UHFFFAOYSA-N 429.282 1.781 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H]1CC 1729168478 PYDFSPOWYNJKRM-FQEVSTJZSA-N 449.563 1.931 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2ccnc2C)CC1 1740699782 SYEBIXFYTSDGLJ-UHFFFAOYSA-N 438.561 1.230 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCc2nc(C)no2)CC1 1740703993 FHFNIWAOIGXBQH-UHFFFAOYSA-N 434.504 1.630 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCOC)CC1 1740875835 KTPSPEIUEWEKRS-QGZVFWFLSA-N 439.582 1.125 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1nc(C)cs1 1740898982 CGRHKKDMVJVTBE-HIFRSBDPSA-N 440.595 1.802 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1740959582 AFNAEUMKDGBOLA-SFHVURJKSA-N 440.504 1.151 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(O)c1 1741662793 JPEUQNMXEUBWDQ-UHFFFAOYSA-N 433.472 1.705 30 10 IDEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1742627713 BJHCNCIYAMAARJ-APWZRJJASA-N 435.529 1.608 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)Br)CCOC1 1746733446 HNHOZHZUZOERMF-SMDDNHRTSA-N 436.257 1.647 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1746975278 TZMIXPKXAILRPY-GOSISDBHSA-N 432.550 1.761 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1748672626 VVXOMPVSCHQZRK-DYVFJYSZSA-N 439.488 1.395 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748931083 KTUVUNDPFZXTKK-ICSRJNTNSA-N 442.589 1.928 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nc2cc(OC)ccc2n1C 1748948759 VIKBEXRCNDBJJA-UHFFFAOYSA-N 439.520 1.446 30 10 IDEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N(C)CCNS(C)(=O)=O 1749106979 MRIYOFWUQJWIHF-UHFFFAOYSA-N 434.385 1.824 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1749354141 JUKMJLDGUIOZJD-BEFAXECRSA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(C)C)CC1 1749676256 JYWNLZPDJSVIEB-UHFFFAOYSA-N 426.565 1.958 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749676535 UJTSNQAGPCYGTJ-QGZVFWFLSA-N 425.537 1.309 30 10 IDEE COCCN(CCC#N)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC1 1749831392 ZVYJFMPXIGVZKO-UHFFFAOYSA-N 426.525 1.343 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCCN2CCC[C@@H]2CO)c1 1750380967 DFVCOOFYHDZOAU-VQTJNVASSA-N 437.548 1.365 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1751911448 LWZQOPKQSRHJOY-LJQANCHMSA-N 438.536 1.064 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1760266315 VSYUDTPKOSATFM-UHFFFAOYSA-N 430.553 1.952 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc21 1760548485 HVGCPRXPLPDBGI-AWEZNQCLSA-N 439.563 1.183 30 10 IDEE CCN(C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1766526229 BHXIJQZIQUXHON-GOSISDBHSA-N 448.549 1.893 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1768633787 IAIAOFOHPZVWEM-SFHVURJKSA-N 445.545 1.230 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1771176354 QBBMJOHJGBLZER-MUXVIGPSSA-N 444.536 1.621 30 10 IDEE C=CCN1C[C@@H](C(=O)N(C)c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)CC1=O 1852763157 XJNQIGATTCGDFB-AWEZNQCLSA-N 438.509 1.979 30 10 IDEE NC(=NOCCC(=O)N1CCN(Cc2nnc3n2CCCC3)CC1)c1ccc(F)cc1 1853569843 BZJMNLSEPKHXNV-UHFFFAOYSA-N 429.500 1.125 30 10 IDEE N#CC1(c2ccccc2)CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)CC1 1855839899 KAEKHUJOFMAMJM-QZTJIDSGSA-N 429.542 1.354 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1=O 1856802565 JNAMIDSAMDPJIT-TZMCWYRMSA-N 448.419 1.588 30 10 IDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871708134 IBBYGBZOIHAEQD-UHFFFAOYSA-N 442.480 1.102 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)[C@@H]1c1ccc(C#N)cc1 1889380581 GFWDJIBHEPDYIZ-NBMJBFSESA-N 440.525 1.025 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 1892122985 RQBPFJAAAUYCTN-UHFFFAOYSA-N 446.554 1.953 30 10 IDEE N#Cc1cc(I)c([C@@H](O)C(=O)O)c(I)c1 2060283924 SQPOQXLXCFKTCW-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243678130 FJMKUHFYIUKKHQ-LLVKDONJSA-N 426.348 1.747 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2247555229 UXGIVKFJHXXGNC-YZGUTLMUSA-N 439.509 1.777 30 10 IDEE Cc1csc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247832039 IPDLMPJHXCFXLE-ZDUSSCGKSA-N 440.371 1.971 30 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C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(C(=O)O)CC3)C2=O)cc1 96573415 BUPPVRGQVOEOMO-QFIPXVFZSA-N 429.473 1.732 30 10 IDEE COc1cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc([N+](=O)[O-])c1OC(C)C 169883568 NMOCRFQUVFSQTC-LSCVHKIXSA-N 437.434 1.530 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1Cl 473440763 DFCGYBVMYORVLV-IAGOWNOFSA-N 433.873 1.917 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)nc1 474351164 BMHUAGRVKRJAQU-KRWDZBQOSA-N 426.542 1.068 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)C)CC1 512714141 NDUDJFQUBUFXGO-NRFANRHFSA-N 439.560 1.298 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 521452588 SBMWIOKJAXATJW-GOSISDBHSA-N 449.581 1.305 30 10 IDEE CCS(=O)(=O)N1CCC[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1 523356907 LHIGZWNHEOFBBF-DOTOQJQBSA-N 436.559 1.460 30 10 IDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 523652740 MBCINIKSFMPHSS-UHFFFAOYSA-N 428.510 1.828 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccccc1 527277490 ZUDTUEMCLROUCO-UHFFFAOYSA-N 433.537 1.541 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2OC)c1=O 532800319 KGDFGDQHORMLRX-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](Oc3ccc(F)cc3)C(=O)OC)cc2C1=O 534768694 HQSKSBXXIQAMSU-SFHVURJKSA-N 426.400 1.958 30 10 IDEE C[C@H](C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)n1cnc(C#N)n1 539504411 JAMDJMRVHKMJLQ-CQSZACIVSA-N 438.879 1.259 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 573412726 ONTJEKXVAYZGHW-UHFFFAOYSA-N 444.438 1.768 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O 577051273 XPVZOIQJMQWYAQ-UHFFFAOYSA-N 449.536 1.089 30 10 IDEE C=CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 579885915 RIXGNWMBUHFZLX-INIZCTEOSA-N 440.566 1.612 30 10 IDEE COc1ccc(C)cc1C1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCOCC1 585779034 XXEWSJULMMOKMI-UHFFFAOYSA-N 428.533 1.272 30 10 IDEE CC(C)CN(C(=O)CN1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 603603804 WQQXMHQPAVZXCM-QGZVFWFLSA-N 436.553 1.491 30 10 IDEE O=C(CCCCCNC(=O)[C@H]1CC[C@H](CN2C(=O)C=CC2=O)CC1)ON1C(=O)CCC1=O 607708149 IHVODYOQUSEYJJ-WKILWMFISA-N 447.488 1.002 30 10 IDEE CC(C)C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 619104071 ITTUEFRLSWSQRY-VAMGGRTRSA-N 435.528 1.968 30 10 IDEE CCOC(=O)c1c(NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(C#N)cn1CCOC 619796581 KPYMBBUNPMNZJJ-KXBFYZLASA-N 448.520 1.872 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 676235505 JXPXKNWOMKWWGO-GFCCVEGCSA-N 431.583 1.872 30 10 IDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 731862359 DUQFEESWHVHOTA-HGCZGKCMSA-N 432.864 1.344 30 10 IDEE N#C[C@@H](C(=O)COC1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 735397387 DAIRCFCVYFMLSL-IBGZPJMESA-N 449.529 1.704 30 10 IDEE C#CCNC(=O)C1CCN(Cn2ncc(Br)c(Br)c2=O)CC1 747796392 PAAHRGDRYQZPEG-UHFFFAOYSA-N 432.116 1.187 30 10 IDEE COC[C@@H](C1CC1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 749806692 PJHKGKJXDIBCAZ-OALUTQOASA-N 443.573 1.983 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 753166349 BMUPTVLVASPZGT-LVWMNBHTSA-N 435.525 1.849 30 10 IDEE CN1C(=O)C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(Cl)c(F)c1 759063547 HCPBKBJWMXAANL-BMMNLENVSA-N 434.855 1.641 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F 795804321 XIBXCVIJDKDLJE-SNVBAGLBSA-N 425.887 1.630 30 10 IDEE COC(=O)[C@H](OC(=O)c1c(I)cnn1C)c1ccc(C#N)cc1 796607354 MOMOTMQRKBQGKU-CYBMUJFWSA-N 425.182 1.967 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCc2ccccc2S(=O)(=O)N(C)C)cc1 802918584 ABIHMWKQSNXJGZ-UHFFFAOYSA-N 438.527 1.758 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 816896004 ZBWPQCIZPQJVCE-QFIPXVFZSA-N 445.495 1.577 30 10 IDEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1cc(C#N)ccn1 1128080097 QQLBLZLELRYOGR-UHFFFAOYSA-N 442.497 1.788 30 10 IDEE CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1133254379 APIVGAHMJNQSCQ-SFHVURJKSA-N 442.497 1.976 30 10 IDEE CC(=O)N1CCN(c2ccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2[N+](=O)[O-])CC1 1134302405 VNDVZRUZZMXRPR-UHFFFAOYSA-N 442.472 1.741 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCN(O)C2=O)c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1141380117 GSRBAVCFBAFELH-WMZOPIPTSA-N 441.488 1.656 30 10 IDEE N#Cc1cn(CCC(=O)NCCc2ccc(I)cc2)c(=O)nc1O 1148769580 XCROZSLPFMBNLX-UHFFFAOYSA-N 438.225 1.174 30 10 IDEE C#CCOCCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1160091619 ZBAXEGCXNUFKAX-QGZVFWFLSA-N 435.546 1.178 30 10 IDEE CN1CCC(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)(N2CCOCC2)CC1 1251871334 UMCCXIWHNMLTGM-HXUWFJFHSA-N 441.580 1.336 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)Cc1cccc(F)c1 1286308207 GLFVOBORRUCXRB-MMOPVJDHSA-N 443.523 1.958 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1286423837 WYWIHYVBPABGSZ-WIYYLYMNSA-N 434.562 1.360 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286434525 NUPDFIHJEIYLMC-OALUTQOASA-N 427.528 1.624 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1Cc1nncn1C 1286460471 YXBOYUGEKMGAQZ-UHFFFAOYSA-N 430.310 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1286490728 QIERGDFLXJDFAI-GOSISDBHSA-N 427.597 1.147 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(F)c2)CC1 1286490931 XRMDTJSZVZMWRG-LJQANCHMSA-N 438.507 1.577 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1286517981 XOCUXOUWZZPSSV-GQIGUUNPSA-N 434.566 1.776 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286606198 JCTXSVGDCQHVBW-QZTJIDSGSA-N 430.553 1.565 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCC2)CC1 1286646087 MSGWUABFFFRJKC-KRWDZBQOSA-N 438.598 1.252 30 10 IDEE C=CCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286777786 LPEOYQHZUYNICR-LJQANCHMSA-N 427.571 1.365 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC2(CC2)c2ccccc21 1286781377 XMTXBEWZKKVKDJ-AWEZNQCLSA-N 430.534 1.374 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)C1 1286809644 KGVUCZSBLIRBHK-JKSUJKDBSA-N 436.538 1.286 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1=O 1287759302 GVNAALAYBPRELT-UHFFFAOYSA-N 435.532 1.648 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CCOC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1288060036 HSASTHVPBWXMHW-FBMGVBCBSA-N 447.540 1.194 30 10 IDEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CCO1 1289339227 LYNQOYJGIRBTMU-NRFANRHFSA-N 449.529 1.390 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC(F)F)CCOC1 1296651313 OMBKIGYMNLJNIT-OXJNMPFZSA-N 440.495 1.736 30 10 IDEE CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1300416539 OGNYCBNEDAOFDN-IBGZPJMESA-N 425.489 1.954 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1300497152 XPEVAFMBZAYLHS-QYZOEREBSA-N 435.594 1.283 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1300710878 ORJNJPROQSVPQL-ANULTFPQSA-N 431.581 1.818 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300754423 PWEPMIZHNSYTHR-UHFFFAOYSA-N 434.591 1.472 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1300777891 GJXXPOPGPIQCEK-RTWAWAEBSA-N 449.577 1.716 30 10 IDEE COC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1301021773 IUNXCZZQGDFKCJ-MOPGFXCFSA-N 441.536 1.427 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(OC)cc1 1301500562 NNTURUZQWMPSDZ-QGZVFWFLSA-N 447.561 1.518 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCC2)CC1 1301513878 BONLRUWMCXTFEM-UHFFFAOYSA-N 440.548 1.842 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)C)cn1 1301849930 IDTQAYITIJXJNV-UHFFFAOYSA-N 436.520 1.669 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOC1=O 1302276386 BFGATBDAFOUJQJ-IRXDYDNUSA-N 432.525 1.974 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC3(CC2)COC(=O)N3)n1Cc1ccc(C#N)o1 1305762242 LCUCZAJTKFAMRW-UHFFFAOYSA-N 441.492 1.788 30 10 IDEE C#CCN(C(=O)NCC[C@H]1CCCS1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1313218258 GVDHAKFDIGHEDD-QGZVFWFLSA-N 427.567 1.998 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313493097 FSXDMWUZXXCDJX-GOSISDBHSA-N 438.536 1.639 30 10 IDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)S(C)(=O)=O 1313800182 ZFVPPLQPULMOQJ-APWZRJJASA-N 446.577 1.695 30 10 IDEE CCN1CCN(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1313954032 MZNJMGJOJUZUTR-QFIPXVFZSA-N 448.575 1.963 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1314629330 YCHGFKUSXZFUAE-LJQANCHMSA-N 435.532 1.790 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1316251880 JIHONNMZQTXZDO-QGZVFWFLSA-N 433.534 1.351 30 10 IDEE Cc1ccc[n+](/C(C(O)=C2C=CC(=NC(N)=O)C=C2)=C(/S)NCCN2CCOCC2)c1 1321719464 FYWQDRYNUMAHAM-UHFFFAOYSA-O 442.565 1.718 30 10 IDEE CO[C@@H]1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(C(N)=O)cc2)C1 1343449212 UGYJMIVHOGOHJD-ZACQAIPSSA-N 430.530 1.953 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358966007 GHKPLZYMFKXSCM-OALUTQOASA-N 448.593 1.437 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1358967030 BVUMZPRJQADVKI-QZTJIDSGSA-N 432.550 1.421 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC(C)C 1359009870 ATMOBDPBIUSIMI-PXNSSMCTSA-N 441.598 1.258 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1359137497 RRARNAUOHBTJIM-JOCHJYFZSA-N 443.552 1.640 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ccc3c(c2)OCO3)CC1 1359159133 NZABSHGUATUNCG-HNNXBMFYSA-N 449.533 1.852 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2o1 1359300918 MXAIPQXOYCIFJK-MRXNPFEDSA-N 443.529 1.865 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccn2)CC1 1359328653 KOWAPINZZCVPRV-UHFFFAOYSA-N 443.533 1.564 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOC2(CCOCC2)C1 1359334045 RIOUDLUAFHEPGB-UHFFFAOYSA-N 447.561 1.251 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359335374 JRAGLGTZINPRBC-HXUWFJFHSA-N 437.566 1.659 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1360206621 BVVDRWRLTCADRF-OAQYLSRUSA-N 425.468 1.192 30 10 IDEE C#CCOc1ccccc1CNCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1474201870 MLNOZRFUUDRGAB-UHFFFAOYSA-N 443.569 1.949 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 1475345429 GSRBNIYSRJZLPU-MRXNPFEDSA-N 437.522 1.204 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1476309380 RYSSLTDUSOAFMH-HNNXBMFYSA-N 426.539 1.222 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3Cc4ccccc4OCC3=O)C2=O)cc1 1478566881 AKOCNAYGDGGYON-HXUWFJFHSA-N 447.495 1.380 30 10 IDEE Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)o1 1492764478 HGDJMYUOYNCREM-KRWDZBQOSA-N 436.476 1.611 30 10 IDEE CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1499594318 JTVPSPPTRIRLPS-UDJKBAMHSA-N 427.509 1.382 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1503356563 ATMIIIPMJUFEQV-VGSWGCGISA-N 439.495 1.616 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1503614340 FHXCOINLFPLLPB-SFHVURJKSA-N 439.545 1.974 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCSC2)C1 1505145255 LHGVAMGSICRHLP-IBGZPJMESA-N 432.575 1.699 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1507592678 XGGPTELVSGSPTL-KRWDZBQOSA-N 442.470 1.883 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)c(OC)c1 1507617530 VITZKXBGUDKNHT-IBGZPJMESA-N 447.561 1.240 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507630893 JKLZIQFRDWLDOC-LBPRGKRZSA-N 446.480 1.615 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1507643210 RZHDOCVJSZBLQA-MRXNPFEDSA-N 429.546 1.237 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1507702510 JEGAMDLHUSTOKN-KRWDZBQOSA-N 448.568 1.903 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)CC1 1507719326 AAZNBIHWPFDZRE-CYBMUJFWSA-N 449.378 1.803 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507744675 VBPFFRQUEBCMTM-OAHLLOKOSA-N 427.534 1.254 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1507754482 WCZZFBDPYHIHBB-UHFFFAOYSA-N 425.566 1.607 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1507792058 WDKRLDZAYKXBFJ-PKOBYXMFSA-N 432.569 1.846 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1507879898 GMKYCUVSJPOBFO-DLBZAZTESA-N 448.597 1.447 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC 1508017885 JGHRAIJIPKUQGG-UHFFFAOYSA-N 429.506 1.322 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCOCC2)C1 1508113216 FXRGIEAAYQFJBK-PGRDOPGGSA-N 436.553 1.642 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCNC(=O)[C@H]1CC 1508142501 DJBONAROXDPSRV-GOSISDBHSA-N 431.562 1.379 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCCCO)n1 1511707821 VXRRKLCJSHLRRP-UHFFFAOYSA-N 436.520 1.837 30 10 IDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1(C)C 1512564910 FWDASKJUUCICLH-QVKFZJNVSA-N 445.545 1.370 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](n4ccnn4)C3)CC2)cc1 1529270739 BPPPXJOWDJGNCW-SFHVURJKSA-N 428.518 1.414 30 10 IDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCc2nc(C#N)cs2)C1=O 1538522240 LKIPVEZMFGJRLM-QGZVFWFLSA-N 448.302 1.861 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccnc1N1CCOCC1 1539311976 FKHSRAZTXOSMKI-UHFFFAOYSA-N 428.500 1.478 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539474497 RTCNGFKLQZPRIL-LJQANCHMSA-N 434.544 1.826 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1539526180 DZRFYHKRXQCQIN-INIZCTEOSA-N 429.546 1.934 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539659309 RLLMCTSKZPXSMR-SFHVURJKSA-N 425.942 1.946 30 10 IDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539960430 ACOAZGVSVYFMTO-UHFFFAOYSA-N 440.552 1.072 30 10 IDEE C=CCN(c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1540114501 MTFUNNJCULXJIH-NRFANRHFSA-N 432.546 1.604 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C4CCCC4)CCNC3=O)CC2)cc1 1540648013 QXEIIAAOSKDCGS-NRFANRHFSA-N 430.530 1.088 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540865542 KDSDJBXGQQGUFF-GOSISDBHSA-N 433.516 1.614 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 1540907587 BRAOSDHBZJMTJR-UHFFFAOYSA-N 429.550 1.903 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1541649192 ZSARQQOBHOCXRU-OAHLLOKOSA-N 428.493 1.704 30 10 IDEE CC1(C)SCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1542013903 OSGXWKFZKNENEM-KFWWJZLASA-N 425.580 1.441 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1 1543389793 XFNBJHSGOXMVJP-HXUWFJFHSA-N 431.489 1.926 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1546842089 GPBXSQBLMJORBY-VGOFRKELSA-N 438.536 1.374 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)nc2)CC1 1547764215 GMGGGXKHTWAFDD-UHFFFAOYSA-N 444.543 1.827 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(=O)(=O)c2ccccc2)cn1 1554329193 BHIJHHBSGOYLNH-HXUWFJFHSA-N 443.508 1.985 30 10 IDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1554594583 LTQGPSQVUAYHRT-PEBXRYMYSA-N 437.504 1.666 30 10 IDEE COc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1OC 1554916600 YBFPUZQCQUMFKF-VXPUYCOJSA-N 426.477 1.767 30 10 IDEE COc1ccc([C@@H](CO)N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1566969517 LGFZVMKHCPIFML-WOJBJXKFSA-N 436.468 1.964 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1588124273 ILIJMNMWVJVPEO-UHFFFAOYSA-N 426.484 1.470 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(CC)CC1 1588171002 QOKFUCHGKMCYJY-ACRUOGEOSA-N 428.581 1.101 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1588574395 GVKYKEPMQGFXBL-QGZVFWFLSA-N 445.495 1.502 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1588876810 KAKSLCUZZCENRT-HXOBKFHXSA-N 442.564 1.031 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC[C@@H]2CCCO2)CC1 1588930089 NIOOOHGAMHNONX-PMACEKPBSA-N 445.564 1.334 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(-n3cncn3)c2)CC1 1594015108 YKZLRDVQGAPUDF-INIZCTEOSA-N 442.549 1.674 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1595823107 KOVJMXLVSAMLBO-QGZVFWFLSA-N 447.561 1.386 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)cc1OC 1616368586 XZXFFAFDSXEXBR-ROUUACIJSA-N 443.504 1.887 30 10 IDEE CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 1616574115 BQTJDTIQAXFKHO-ZRZPHAQCSA-N 437.566 1.240 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1617388113 ZLWIADGXYNJYJN-QGZVFWFLSA-N 432.550 1.617 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)c2ccc(Br)cn2)c1 1622562011 VZHOHESLQLTJLJ-UHFFFAOYSA-N 438.303 1.921 30 10 IDEE C#C[C@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1I 1625165457 NEXKJDADJNNZRA-BXUZGUMPSA-N 444.269 1.967 30 10 IDEE COc1ccc2c(C)c(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c(=O)oc2c1 1627136991 PYPOHOKGXODDMB-LHSJRXKWSA-N 430.482 1.439 30 10 IDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1630805564 XUDVONZIVHTZDK-CYBMUJFWSA-N 434.338 1.335 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c1 1631176854 UYIWNEFHIPZOSD-LLVKDONJSA-N 428.388 1.571 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1632005796 QVWGYZFHEHKUMA-ZWKOTPCHSA-N 443.610 1.651 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 1632510160 XNZVPYFMKRGGAN-FQEVSTJZSA-N 442.541 1.375 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 1636475705 UCNJOFMOSQPZEX-CYBMUJFWSA-N 446.392 1.542 30 10 IDEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)cc1 1636671734 VKVLYYNAWLMTDW-LLVKDONJSA-N 434.308 1.920 30 10 IDEE Cc1ccc(C[C@H](CO)CNC(=O)CCn2cc(C#N)c(O)nc2=O)cc1Br 1636845656 GPCAGTNISXBQRM-AWEZNQCLSA-N 449.305 1.249 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 1641428290 HQWSZLCMAROHCQ-LBPRGKRZSA-N 443.975 1.292 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1641855714 SZVWYKVQZSVNSJ-UHFFFAOYSA-N 443.481 1.669 30 10 IDEE COCCN(C)CCN1C[C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1=O 1642000402 HYLOKGUNKNCICV-LJQANCHMSA-N 445.539 1.209 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)CC1 1644281886 PAUSOUAWELWPCI-UHFFFAOYSA-N 426.542 1.954 30 10 IDEE C#CCC1(NCC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCOCC1 1644566089 CEXMIRCBBPCVBK-LGMDPLHJSA-N 428.514 1.396 30 10 IDEE C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H](C)COC 1645337352 CVBBSCDZYXGGHV-GOSISDBHSA-N 437.562 1.349 30 10 IDEE C=CCn1c(SCC(=O)NCC(=O)N2CCN(C)CC2)nnc1-c1ccc(Cl)cc1 1648190260 IVASPIKMDPLWCF-UHFFFAOYSA-N 448.980 1.767 30 10 IDEE Cc1nc(=NC(=O)CCn2c(S)nc3ccccc3c2=O)n(-c2ccc(C#N)cc2)[nH]1 1648580530 GVGUIOYWPAMEGU-UHFFFAOYSA-N 431.481 1.897 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1689831095 FQLXFWARMRAGLL-JTSKRJEESA-N 436.520 1.801 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCOCC1 1689835543 OLONJRKBTZDUEZ-HNNXBMFYSA-N 427.505 1.702 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1689960931 FBVUYYABZWHSTO-GOSISDBHSA-N 449.559 1.498 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCC(O)CC2)CC1 1690130379 FMVQLXNQTYDUTH-UHFFFAOYSA-N 428.606 1.532 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1690245787 MZQLFDLCLSUIFM-ZVZYQTTQSA-N 437.566 1.224 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690252551 GDEGPBYIKUIIOI-DYESRHJHSA-N 432.569 1.196 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690672191 KXLRADBJFRCEJG-INIZCTEOSA-N 440.614 1.277 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1690721128 YLVKDXFQWWPAOP-QGZVFWFLSA-N 431.562 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)OC[C@@H]1C 1690731999 TVVAEOIOXPRUBD-ULQDDVLXSA-N 442.582 1.607 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1691515046 BATFQRYLFJZRQF-IBGZPJMESA-N 434.504 1.632 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1693850306 ARVLEZVPVXQKLO-APFMSCDFSA-N 433.472 1.568 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705553907 CKAFBUSXKAPZSG-HXUWFJFHSA-N 448.575 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1705598627 MTIFOHDEGDAYFQ-IBGZPJMESA-N 425.558 1.780 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705660475 WKCYBBIYTMKVRV-LJQANCHMSA-N 448.637 1.529 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1 1705672638 DOIBAHLZSFQQPA-LAUBAEHRSA-N 442.545 1.111 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1705904769 XZRRXLURAOUKOY-SNRMKQJTSA-N 427.505 1.954 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1706075883 UMWWJWDITLSYLM-DOTOQJQBSA-N 445.545 1.870 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1709142142 QVTGNGFSJFVNLC-UHFFFAOYSA-N 429.550 1.259 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1710976626 AUPJKRRFWFUNCY-KRWDZBQOSA-N 430.534 1.308 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1722277447 NKUDDJRJUNDWED-SJORKVTESA-N 444.605 1.445 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722327442 PZXDMNIHMMNBQD-UHFFFAOYSA-N 440.935 1.939 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1722404760 FGNKEBVZELCBPG-QHCPKHFHSA-N 425.533 1.992 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1722437644 ONCUIBCNQYQIOE-FPOVZHCZSA-N 426.540 1.979 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1722449966 WNBZTRLHCOMLRP-OAQYLSRUSA-N 446.577 1.529 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(COC)c2)CC1 1722450358 FSQHXMDHQFHTHR-UHFFFAOYSA-N 425.533 1.975 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1722452624 VGRDGTHSDTXJIQ-HNNXBMFYSA-N 429.612 1.508 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722532340 JGSWBBOSFWKGJV-QGZVFWFLSA-N 444.561 1.846 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1722555428 KRGUVXSCQYPHHA-ZIAGYGMSSA-N 433.962 1.225 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1722655961 NQAFBOKNUUKPEO-QHCPKHFHSA-N 436.516 1.616 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC 1722699585 WGSOEGUQVHXBPV-QGZVFWFLSA-N 447.561 1.170 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722701908 HSILYVYZDDLBGP-INIZCTEOSA-N 426.477 1.109 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722703341 ZOQGMOVZAFXDTO-SFHVURJKSA-N 437.552 1.244 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)C)C1 1722711738 HYXZMZMGKDYOEG-OAHLLOKOSA-N 447.565 1.108 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1730478098 VQVJCBSUKCNMIB-SFHVURJKSA-N 443.527 1.989 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F 1740551743 LTABRLUOPCYJOJ-AWEZNQCLSA-N 432.479 1.291 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1740590877 KJHRGKZMRBQKTB-MRXNPFEDSA-N 427.571 1.276 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)c1ccccc1 1740642593 YKMCHDYMKIRDJW-UHFFFAOYSA-N 439.541 1.337 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740888165 QBTXBHREMJQDHI-MSOLQXFVSA-N 439.582 1.125 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1740932366 MGVYVMVWIVCNJG-MRXNPFEDSA-N 427.571 1.605 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1C 1740960722 YRWUGTSNBWWRMQ-GOSISDBHSA-N 431.562 1.817 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCNC(=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1740969311 XFIYRPJXJMRSSS-QFIPXVFZSA-N 427.505 1.480 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740996128 GVUNDDCGCGJPMP-HZPDHXFCSA-N 443.639 1.939 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(C)=O 1747394167 NJTVRQFIBRAVNH-OAHLLOKOSA-N 432.550 1.602 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CC2)C1 1747447353 AUSRDDQIIBIJDZ-GOSISDBHSA-N 444.561 1.904 30 10 IDEE CO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1748402749 JCOPTDSJYKULAQ-SDDRHHMPSA-N 426.465 1.452 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1748698443 VJSCYJPZHQLZDN-HXUWFJFHSA-N 428.581 1.866 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(N2CCCCC2)c1 1748851968 SBLHYRYFHUDJFV-UHFFFAOYSA-N 431.544 1.907 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CCCS2)CC1 1748972920 RSYYEJQHEHTHAI-OAQYLSRUSA-N 425.562 1.966 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC=C(C)C)CC1 1749005022 QXPPAENFLXNTRD-INIZCTEOSA-N 436.582 1.210 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](C)OC)CC1 1749014814 PFXGVSASMBTNRT-JXFKEZNVSA-N 439.516 1.791 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1749457293 IXWGPJHKKIAPHT-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1749666108 HNROWWBJKKLLTP-HNNXBMFYSA-N 428.541 1.847 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sc(C)nc1C 1749829991 CNNLHYFWEKUMIV-HNNXBMFYSA-N 438.579 1.668 30 10 IDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1749883005 LBSRQUQMQSMGKN-LAUBAEHRSA-N 439.564 1.978 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCOCC2CCOCC2)CCO1 1750388198 LQTRESSRXGJPRI-HXUWFJFHSA-N 426.521 1.826 30 10 IDEE C[C@@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccco1 1751244709 CVTAJSFWMVFBOJ-OXQOHEQNSA-N 433.534 1.811 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1760116904 KYTRLOSPQHBTTH-YJBOKZPZSA-N 439.545 1.576 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)COC)CC1 1760148521 CICSCBCZBMTHGH-UHFFFAOYSA-N 449.519 1.066 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1760157577 UERDNIIYNXQHQN-UHFFFAOYSA-N 442.593 1.945 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1760206255 UWPYWGXUDAWTQZ-DYESRHJHSA-N 430.530 1.371 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCNS(=O)(=O)Cc1ccon1 1760292521 CKNOQMVFWFQPEW-LJQANCHMSA-N 429.506 1.373 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760305505 HYMMSCHYAPIYCW-SFHVURJKSA-N 436.358 1.888 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CCCO)CC1 1760396316 ALCXKSGQWOMXKW-WMZOPIPTSA-N 440.614 1.138 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1760406339 BAMRWZIWCUFJIC-INIZCTEOSA-N 448.597 1.607 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1760495118 FSIMOOQSOHOHEO-GOSISDBHSA-N 439.545 1.988 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCCC2)C1 1760535780 XCFWDNDKHKDEEA-SJORKVTESA-N 426.587 1.156 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760554143 SOQMLPSECWUKOD-INIZCTEOSA-N 441.517 1.389 30 10 IDEE C[C@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1761509169 HESOLAMGFAAFCJ-BTYIYWSLSA-N 444.923 1.804 30 10 IDEE Cc1nc(C)c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)s1 1762244143 BPAWMJDZKSPAFZ-WCQYABFASA-N 425.584 1.800 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1767959457 HIOUDFPVYSIPPE-VQTJNVASSA-N 426.521 1.444 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1OC 1769302092 DLZGPWLSTJQNKT-UHFFFAOYSA-N 435.488 1.850 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1770158583 AKYSHAVVFIPEGF-UHFFFAOYSA-N 427.505 1.866 30 10 IDEE COCCN(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771076690 OQQFSWSRPHFUTE-QUCCMNQESA-N 431.585 1.317 30 10 IDEE COc1ccccc1/N=C(/Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]c1=O)c1ccccc1 1775970583 HDXNALIAZONLEA-JLPGSUDCSA-N 431.452 1.693 30 10 IDEE N#CC1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1851400110 YFKSRFFKAHCUIC-UHFFFAOYSA-N 429.340 1.079 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@H]3CCc4ccccc4C3)C(=O)O2)CC1 1856653058 KZSMTWDNJOMVDL-OALUTQOASA-N 431.514 1.704 30 10 IDEE Cc1ccc(OCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857066061 FVEWGNWXODUHIE-SFHVURJKSA-N 433.530 1.623 30 10 IDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1c[nH]c2ccc(I)cc2c1=O 1866370832 CWLFIGNGZNFGFW-VIFPVBQESA-N 439.209 1.962 30 10 IDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1C 1870155676 ZIKFBAHJIUWVOD-UHFFFAOYSA-N 445.395 1.899 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870711779 XKANIJNKNAJFIV-UHFFFAOYSA-N 440.544 1.470 30 10 IDEE CN(C)C1CCN(c2nc(=Nc3ccccc3C#N)nc(N3CCC(N(C)C)CC3)[nH]2)CC1 1871731721 YJJCARSAKPSJLJ-UHFFFAOYSA-N 449.607 1.970 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)CC1 1889658275 RNANFTBFBLVSIC-UHFFFAOYSA-N 435.590 1.506 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1C#N 2174786721 MKOAHSHYNBUPMY-SFHVURJKSA-N 430.486 1.578 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255627633 WIBSQAOBEPFDOQ-BJJXKVORSA-N 432.330 1.837 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2255694869 VHBWTQHSBSDXCD-KRWDZBQOSA-N 426.326 1.936 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2267005770 OPTQMOCIKKZJCM-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)n[nH]1 2267139392 FZDGIJXFGOXLGZ-UHFFFAOYSA-N 447.305 1.147 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2267182444 GQCOOAHYUDPBIS-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267198458 YFHXUFOTRZBRCX-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 2267272427 ZGKWAZOXKKFFFL-UHFFFAOYSA-N 443.275 1.855 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267272483 ZLUGZQMBTSOPBK-MELADBBJSA-N 447.345 1.100 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2267274724 DPDSMFIGNZGNSA-HZPDHXFCSA-N 449.357 1.736 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267479988 SUSCRUCJGXLJTR-RHSMWYFYSA-N 447.341 1.338 30 10 IDEE Cn1ncc(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267514943 HHWZYRDKHVKGNK-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(Cc2ccccc2)C1 2267602311 KLVGBELGMKTZGN-FUHWJXTLSA-N 439.369 1.755 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267880123 PJQAFXBWJROTFH-GOSISDBHSA-N 438.337 1.407 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268644806 RPXGBTCXHRTUHN-AEFFLSMTSA-N 446.353 1.972 30 10 IDEE C[S@@](=O)CC1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282304049 FJSDYTCXUNWAEH-RUZDIDTESA-N 439.817 1.700 30 10 IDEE C#Cc1cccc(N(C)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 2286032252 BGAQSGUMLMHMBV-LJQANCHMSA-N 430.482 1.902 30 10 IDEE C[C@H](OC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N)C(=O)Nc1ncccn1 10498258 LSWCASLQXZSPIR-QMMMGPOBSA-N 427.364 1.718 30 10 IDEE C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27107166 DJYAMKVCRJMFNV-NSHDSACASA-N 440.382 1.705 30 10 IDEE C#CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 111192283 WXLAKFUMCRUUPL-LBPRGKRZSA-N 433.313 1.841 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 464222421 GKEDFBXQDYSAKL-UHFFFAOYSA-N 449.554 1.971 30 10 IDEE Cn1c(NCc2ccc(I)cc2Cl)c(C#N)c(=O)n(C)c1=O 481071291 MTMNXYLQLQSGFB-UHFFFAOYSA-N 430.633 1.826 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)s2)c1=O 482569114 MANGGGTZPHJSJA-UHFFFAOYSA-N 432.530 1.922 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)cc1 503213778 YGFKBGXCHVMHQD-UHFFFAOYSA-N 441.918 1.572 30 10 IDEE N#C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 505934251 WFEZKWXFDHZFHW-QGZVFWFLSA-N 438.937 1.371 30 10 IDEE CNC(=O)CCOC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508673486 COPDBTOXBQMBLF-LJQANCHMSA-N 427.505 1.380 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 512423974 MFQKAJVUQRQSAC-IRLDBZIGSA-N 427.593 1.917 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC2(CC)CCN(Cc3ccccc3)CC2)C1=O 514039039 BVGRGYKMLDVCMT-UHFFFAOYSA-N 426.517 1.772 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)n1cnc(C#N)n1 538401919 HVZRVFLKTGDQKX-LLVKDONJSA-N 443.316 1.551 30 10 IDEE CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 538912088 CYVODNYKLMAUJB-UHFFFAOYSA-N 432.468 1.774 30 10 IDEE CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540612420 MDJPWONGGINROH-GOSISDBHSA-N 434.562 1.578 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3)c2=O)c1 540696171 IIGQQGFNYWYXAR-UHFFFAOYSA-N 448.548 1.886 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CC3)c2=O)c1 540696337 KJLLIVRTHSPJHP-UHFFFAOYSA-N 442.566 1.035 30 10 IDEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546169629 DKZJFYWLXFMCDT-OAQYLSRUSA-N 434.475 1.970 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCCN3C(=O)NC4(CCCCC4)C3=O)CC2)n1 546223098 XEZIQRQTAQWNQD-UHFFFAOYSA-N 439.520 1.430 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)CC2)n1 568572852 BHFHSVADACLNLJ-UHFFFAOYSA-N 435.509 1.734 30 10 IDEE CCOC(=O)c1c(NC(=O)NC2CCN(C(=O)C(C)C)CC2)c(C#N)cn1CCOC 569743380 YUMVJXIKAQBMCU-UHFFFAOYSA-N 433.509 1.951 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCSC)c2=O)n1 573036027 OHUXOIRDRNTNKY-UHFFFAOYSA-N 429.567 1.939 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 588152135 HFOIFHIFVPBHHK-ZBFHGGJFSA-N 440.521 1.936 30 10 IDEE C=CCOCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 611555841 KOYXHFSATLYPFV-HNNXBMFYSA-N 425.507 1.584 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 729335067 HEVGSNQSIQVNHI-WFASDCNBSA-N 429.325 1.995 30 10 IDEE COCCN1CCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 732462443 AUOIBCSQRHPRHC-VSGPLIKPSA-N 437.566 1.732 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(Br)c1 732669791 RIAKWJFWPOMTRD-AWEZNQCLSA-N 442.335 1.987 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 745058748 POJIOPMCJLZVLO-INIZCTEOSA-N 434.474 1.275 30 10 IDEE C[C@H](CC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)/N=C1/NS(=O)(=O)c2ccccc21 745495197 DTIDBCLUXGTLKB-HYVNUMGLSA-N 449.529 1.217 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C#N 763460671 MEEXFQMVDQHWBW-UHFFFAOYSA-N 431.521 1.529 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 766320933 KVGGIMUUEPRDPK-FOIQADDNSA-N 441.509 1.962 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767871705 HMNODSHPIBPBMM-AWEZNQCLSA-N 430.555 1.107 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)OCC)cc(C(=O)OCC)c1)[C@H]1CCS(=O)(=O)C1 774021357 GWNIGGSYYPOTEM-KRWDZBQOSA-N 436.486 1.694 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C)[C@H]1CCS(=O)(=O)C1 774025009 YGVYNVJWCYIRJO-AWEZNQCLSA-N 431.436 1.941 30 10 IDEE COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 774666077 TYGMZJXEPXCICE-RTWAWAEBSA-N 427.549 1.790 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1C#N 787852286 QOQSMYNVLCLZQW-UHFFFAOYSA-N 449.555 1.507 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)n1 788579047 WKNAYGIZIXNCFL-UHFFFAOYSA-N 427.505 1.972 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCc1cc(Cl)ccc1OCC#N 789115299 SQRIYUOGIQVPNA-LJQANCHMSA-N 435.864 1.901 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCCN1C(=O)OC(C)(C)C 790193265 AFXCMTTZDCXSBM-UWJYYQICSA-N 441.594 1.664 30 10 IDEE C[C@H](C(=O)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)n1cnc(C#N)n1 798433077 VRQWWUFTNHUIAO-CQSZACIVSA-N 426.481 1.802 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 801471848 HSQKJTJRIMOUCY-FUHWJXTLSA-N 442.520 1.494 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2n1CCCCC2 914605401 SCUCLSKCHYZZDM-AWEZNQCLSA-N 430.534 1.701 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](COC)NC(=O)OC(C)(C)C)cc1 1125087401 LWCGVQUHKJCNKH-INIZCTEOSA-N 427.523 1.971 30 10 IDEE C#CCN(CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)C(=O)OC(C)(C)C 1135990429 JPFGIAXXGKKORJ-UHFFFAOYSA-N 430.505 1.766 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)C1=O 1155857876 JATRTUMPHMCZCF-DOTOQJQBSA-N 432.525 1.709 30 10 IDEE CCOc1ccc(C(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OCC 1157883817 ALAFZVFBABZWNI-HRAATJIYSA-N 434.514 1.844 30 10 IDEE C#CCN(Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)[C@@H]1CCS(=O)(=O)C1 1180165678 HCSANQZAAGUGPR-QGZVFWFLSA-N 437.562 1.959 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286277457 YQTMRYCXKVSZCA-QKLQHJQFSA-N 439.582 1.058 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccccc2)CC1 1286484300 HYWUOEPUHOLABG-XMMPIXPASA-N 433.560 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)c2ccccc2)CC1 1286489732 AFNQRQSDZILXFQ-UHFFFAOYSA-N 441.557 1.595 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1286645453 CPBRZVIXJGQMAI-MOPGFXCFSA-N 437.610 1.693 30 10 IDEE Cc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290781210 PDQDCDVLHKDKNJ-QZQOTICOSA-N 441.536 1.342 30 10 IDEE C[C@@H]1N(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1291318025 BGZVIVRGWUXTEC-LTDXQCTPSA-N 430.509 1.312 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](F)COC)CCN2C1=O 1295889130 CDOQWRRNSBHJSB-IRXDYDNUSA-N 441.467 1.274 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1300466065 TYQPGISKRFKIPK-MRXNPFEDSA-N 434.541 1.572 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccc(C)c1 1300545950 ZTKYRBUYCWKMPL-UHFFFAOYSA-N 429.528 1.951 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1 1300648958 RKHMFURQQJILHX-SFHVURJKSA-N 427.480 1.420 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCOC(C)C)CC1 1300691278 SCAHYFBZTYSQQP-UHFFFAOYSA-N 449.563 1.881 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)CN(C)C)CC1 1300719505 DIUVRZJVDWDXQC-UHFFFAOYSA-N 425.581 1.837 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1301111868 IDSLFCYCGNDSED-JOCHJYFZSA-N 445.589 1.818 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CCC2)CC1 1301126008 RJLDPQMVNIECJB-RKOGDMNLSA-N 426.608 1.884 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)NC(C)C)C1 1301557019 LSHYFLAGHGKEBF-DLBZAZTESA-N 427.571 1.281 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)N2CCSCC2)C1 1301567604 XHOHZQGNTVAORL-QGZVFWFLSA-N 441.623 1.391 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)ccc1F 1302656571 XUBTYSSOTBZVSJ-UHFFFAOYSA-N 443.500 1.917 30 10 IDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1308115472 YNBOCPLVUFTCAX-IIBYNOLFSA-N 442.541 1.326 30 10 IDEE C[C@]1([C@@H]2CCCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)COC(=O)N1 1312485337 JTEUKJNCVDLEEW-TVTNDZMWSA-N 425.489 1.974 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1313488195 CMBYQVZKLYXHNW-HXUWFJFHSA-N 437.548 1.644 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1337677234 GAJCNRCXHIKZKZ-HKUYNNGSSA-N 449.573 1.874 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1358969879 ZAAJMUHYHVDOBC-AWEZNQCLSA-N 437.472 1.611 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358977353 KRSYOZVMBVWBKN-LJQANCHMSA-N 428.500 1.548 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)NCC)CCC1 1358982501 ZEECXYRJTWGTOH-UHFFFAOYSA-N 438.557 1.649 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1359028517 VEJRCGZCVHTGMJ-HXUWFJFHSA-N 427.597 1.390 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359043030 DKWZUBQLFHSDJL-KRWDZBQOSA-N 441.557 1.346 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359126375 NSEMSGAONQWJGM-BBWFWOEESA-N 427.571 1.344 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359136788 UZHRCJVDYZVBSP-UYAOXDASSA-N 434.585 1.396 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1359208062 FCTWVPAPWIQJTH-INIZCTEOSA-N 426.587 1.156 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359302745 SBWDIVFSQKLQCL-UHFFFAOYSA-N 446.437 1.802 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 1359333606 DBYCGNVUXPCNRW-INIZCTEOSA-N 436.509 1.608 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359337441 SGXAMIRACRNZSQ-RVKKMQEKSA-N 445.611 1.192 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1360219768 VNNPQFXGJUVZJN-AWEZNQCLSA-N 425.493 1.424 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 1473871893 AHLZLSGFODKWRP-OAHLLOKOSA-N 427.534 1.310 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(Cl)c(Br)c1 1474862682 AYWZKPSTFDXUQU-SECBINFHSA-N 429.745 1.861 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1495702142 QUUCUMXYXRJNGI-HFUDNHEJSA-N 431.497 1.206 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCOCCS(C)(=O)=O 1503477109 IMSUAEOTNVSNJM-UHFFFAOYSA-N 440.529 1.909 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1507617040 QKQVJOOVYKRWGL-QGZVFWFLSA-N 444.540 1.417 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507632356 ZMBFRTHVLBSWPA-MOPGFXCFSA-N 428.562 1.451 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C/C=C\CC)CC1 1507719102 YIFTVGLVSLNLGF-FPLPWBNLSA-N 442.589 1.917 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ncccc2C)CC1 1507739539 ISYOIBDQHUSOHM-UHFFFAOYSA-N 429.528 1.981 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1508079333 QWKLFKSHXXXWNR-QFIPXVFZSA-N 443.504 1.260 30 10 IDEE CC(C)N(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1509514646 AWUPFDCKGYTONR-UHFFFAOYSA-N 435.536 1.944 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCCO)c1 1519513322 XQBJHMZCCKBUEZ-UHFFFAOYSA-N 433.534 1.488 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1521137282 NPYQPWOKQRBIIB-DLBZAZTESA-N 425.493 1.595 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4ccnc(F)c4)CC3)C2=O)cc1 1533349684 LVCHKZKPQKMRIQ-SFHVURJKSA-N 436.447 1.646 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1539343306 JCNLVFVSEKTKOE-QGZVFWFLSA-N 441.561 1.641 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539375816 IRSLJCSPTDVQFK-VQTJNVASSA-N 442.589 1.928 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1539697950 AKMXJUOCDLCFJQ-IBGZPJMESA-N 435.532 1.873 30 10 IDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1539749963 FMFGQYNBBIBPDD-OALUTQOASA-N 443.504 1.335 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1547547925 CSKZPXIAGALFQY-GHTZIAJQSA-N 445.545 1.372 30 10 IDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cc(C)nn1C 1548369412 BALBJZAENMVDFJ-QGZVFWFLSA-N 434.422 1.696 30 10 IDEE COc1cc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)ccc1OCCO 1554756588 DGIRQSZTSHJIIQ-UHFFFAOYSA-N 436.472 1.550 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)cc1OC 1555671932 SURQXPNLEYBWEB-CRAIPNDOSA-N 431.493 1.796 30 10 IDEE C=C(Br)CNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1563823043 YUPOPQUIBDTKPX-GFCCVEGCSA-N 432.315 1.947 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCc3ncc(Br)n3C2)n1 1565478036 DSBOOHAXVCZVQE-CQSZACIVSA-N 435.326 1.648 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1587749809 OFTUAFDBIPULPC-GOSISDBHSA-N 426.569 1.519 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(C)=O)C1 1587847772 RWKROPCRJNPPAQ-KRWDZBQOSA-N 443.577 1.757 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1587869926 TYGIBLFJBVUPOV-UHFFFAOYSA-N 430.578 1.976 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1588024312 AEPGPSIPOBFRAD-HNAYVOBHSA-N 439.607 1.329 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588054315 NKABDOBDGXVLAL-MSOLQXFVSA-N 436.578 1.758 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1588812920 VASPKHGNDBZYKR-OAQYLSRUSA-N 436.560 1.677 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1589481910 DNZKXPARBOQWJN-SJLPKXTDSA-N 430.553 1.310 30 10 IDEE C#CC1(F)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1589646229 IBBYGWSGFFMJMP-UHFFFAOYSA-N 431.283 1.267 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1593763196 DEVTZCSENHVGSC-FQEVSTJZSA-N 445.612 1.209 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1594720203 FRGGIGPNTHEFEZ-QGZVFWFLSA-N 437.504 1.109 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1595466779 NBLKRXCSHOBIMP-UHFFFAOYSA-N 442.520 1.470 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCC2)C1 1595665240 QTZMQWDWKBHUCF-INIZCTEOSA-N 437.566 1.263 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2)CC1 1595758680 BQELCRZTOHLXDV-UHFFFAOYSA-N 446.577 1.344 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCC2)C1 1595760885 UOYZMSHJQFEARZ-UHFFFAOYSA-N 439.582 1.557 30 10 IDEE Cc1cccnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1612317066 ATAHVTZSBULSOT-UHFFFAOYSA-N 445.531 1.761 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)N(C)C)CCOC1 1616211994 ADTZYTFAFIGYGV-IVZQSRNASA-N 441.536 1.415 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCS(=O)(=O)N1CCSCC1 1616510270 GHTMGETZVZGOBV-AWEZNQCLSA-N 434.584 1.068 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCCc2ccc(C#N)cc2)C1 1617466626 SVCXGNUDKQJOJL-DYESRHJHSA-N 433.530 1.499 30 10 IDEE COC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCC1 1619045514 BOAYHSVIISNCIR-HOTGVXAUSA-N 440.570 1.309 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1 1619210373 CHFBNWYZMDODHN-GOSISDBHSA-N 431.518 1.507 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 1623611392 QHGVCYSQUZBWJV-UHFFFAOYSA-N 426.520 1.041 30 10 IDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1623969202 GHVGFCBOHKEBGL-INIZCTEOSA-N 425.507 1.747 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)cc1 1624525898 RWAFYAIWLGFLHC-FQEVSTJZSA-N 442.541 1.368 30 10 IDEE N#Cc1cn(CC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)nc1O 1625423819 CPCJWWPOJZGQGV-CQSZACIVSA-N 436.255 1.757 30 10 IDEE C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1630585971 ZYCIYPPJAXALNP-VYDXJSESSA-N 432.525 1.249 30 10 IDEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)NCC(F)(F)F 1630742595 HWAKWGPRATYPMG-LLFUWHRMSA-N 432.443 1.956 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(CC)nc3onc(CC(C)(C)C)c23)CC1 1632961313 VOCOCYGKZOTZAU-UHFFFAOYSA-N 447.561 1.599 30 10 IDEE CCOCn1nc(C)c(C[C@@H](C)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 1638688735 FQANVTDXDDREON-OAHLLOKOSA-N 427.553 1.935 30 10 IDEE N#C[C@]12CN(C(=O)C3(NC(=O)NCc4ccccc4)CCCC3)C[C@H]1CS(=O)(=O)C2 1639815891 CMQVKOPXDCCHSH-FXAWDEMLSA-N 430.530 1.195 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)cc1 1640893687 DNHLKNMDAVNMQR-UHFFFAOYSA-N 425.388 1.898 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 1641112989 NNSOCZHWNDAHJV-ZJTDPSCFSA-N 449.529 1.042 30 10 IDEE CNC(=O)N[C@H]1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1645199461 MFQRYUFDCPGBDT-HNNXBMFYSA-N 435.550 1.206 30 10 IDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCO1 1647790287 DHMHBEXSUVYFLS-IBGZPJMESA-N 438.532 1.593 30 10 IDEE N#Cc1cccc(Br)c1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1651376198 CDEHJJSNWPMHNL-UHFFFAOYSA-N 439.291 1.524 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1655416292 TVOWZFXYQUSGKG-VQHPVUNQSA-N 447.536 1.452 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)CC1 1665679261 GAEWXJYCSBXGCK-UHFFFAOYSA-N 436.534 1.634 30 10 IDEE C#C[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(Br)cc1 1674025834 NGUNYBIZFTTYMW-SFHVURJKSA-N 449.349 1.309 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)c1 1687373342 WBYXXWFERHVWJC-NRFANRHFSA-N 427.461 1.140 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1689937157 QPDPHHLFYXNVPR-QGZVFWFLSA-N 439.545 1.994 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1689986533 RWTGLYHJYJIRMX-MRXNPFEDSA-N 442.501 1.150 30 10 IDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1689996738 NJJYXKNHFLOUGA-SFHVURJKSA-N 444.557 1.626 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1690112182 QVEYWJTXUDKOCW-RTWAWAEBSA-N 432.613 1.878 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(CC(F)F)CC1 1690726955 RBNDOWFNCBMIPU-UHFFFAOYSA-N 440.520 1.252 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1692554197 GLLQZYBNFUEUHH-IBGZPJMESA-N 426.521 1.973 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1692661144 CLYPWCLMNPSTOK-IRXDYDNUSA-N 436.582 1.711 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1694457738 WUFXWJLVSVXEAS-LSGABVIPSA-N 437.504 1.872 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1698062607 DRMONWLMOMNNGK-JBYIUTFZSA-N 434.585 1.630 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1705491162 ZCORAUWGNFBIFS-HNNXBMFYSA-N 445.483 1.559 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F 1705523686 WFVIUWJMNWKXFP-UHFFFAOYSA-N 429.435 1.832 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705523764 YGOOSJKXOQYXOM-UHFFFAOYSA-N 437.548 1.967 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705553906 CKAFBUSXKAPZSG-FQEVSTJZSA-N 448.575 1.529 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCCCCC2)C1 1705901360 JCADOIOPEJDECW-RTBURBONSA-N 443.596 1.624 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1705941759 VNPPAATXCGBXIU-INIZCTEOSA-N 439.549 1.542 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1706074811 FHCMHRRJHHVHSM-RDJZCZTQSA-N 440.533 1.405 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706239809 MHMXCCOSOGKKAU-GOSISDBHSA-N 439.520 1.827 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC 1712153535 XSKPNIOQGPPUGN-RXVVDRJESA-N 445.545 1.493 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1712449929 HQFTXAHAQSQZNE-OAQYLSRUSA-N 445.545 1.229 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCc1ccc(OC)cc1 1722351345 HYCPOGFUMDNSBZ-GOSISDBHSA-N 432.546 1.865 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1722366804 KQWHKGDJSIHLQP-KRWDZBQOSA-N 425.624 1.152 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)C)CC1 1722439752 OIFLWZGBJFBGIP-UHFFFAOYSA-N 434.548 1.044 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N[C@@H](C)CC)CC1 1722444771 FPGBUMWDLGLCTD-KRWDZBQOSA-N 437.548 1.611 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1722450856 SDFICTQZGVGRBG-PGRDOPGGSA-N 431.537 1.119 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722700361 GLMRLUWFQFLXMZ-AEFFLSMTSA-N 438.532 1.142 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722754326 FXOJALHFYYTOSP-YGCDDZCOSA-N 441.536 1.377 30 10 IDEE CN(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1729425657 GMNKAYFVFOSSJI-SFHVURJKSA-N 449.471 1.946 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1740548458 IFFNKDQPEAFRII-DLBZAZTESA-N 449.552 1.586 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1740626739 WGBDVJXOUSRDTG-GOSISDBHSA-N 431.587 1.810 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1740627366 GUPMHADHVBIVAC-QGZVFWFLSA-N 446.529 1.261 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1740653450 MTXWITNMHSWQID-SFHVURJKSA-N 443.511 1.972 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740689453 AGKJHRYLCHIOAN-WOJBJXKFSA-N 429.613 1.490 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1740739296 QTMGRDYEVKFNFU-VXGBXAGGSA-N 436.376 1.658 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1740851176 WYSYBNUEDULEGZ-UHFFFAOYSA-N 438.598 1.521 30 10 IDEE C=CCCCCn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1740863138 PRTJKAPXFVAMCH-UHFFFAOYSA-N 430.557 1.300 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOC[C@H](C2CCC2)C1 1740989984 FJTHMGXQCJUESF-QGZVFWFLSA-N 432.550 1.589 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1741131645 VBVZRUFUFRCOPB-QAPCUYQASA-N 441.511 1.849 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1743354733 FCLCHVJDMSDEPK-WBVHZDCISA-N 430.534 1.323 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1745894035 FWQHDUARPHIRQF-SFHVURJKSA-N 448.531 1.934 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1748639116 BWYQCLJAMXNQAY-BBWFWOEESA-N 430.578 1.797 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748811319 DSWLUJHZNZHXRA-KSZLIROESA-N 444.561 1.567 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748812659 YUQYUBMRZZCILP-FUHWJXTLSA-N 442.545 1.796 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1748889488 LXPFFLIANPRFHH-UHFFFAOYSA-N 444.495 1.967 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1749234123 BAAZQSZBXMIEKX-UHFFFAOYSA-N 431.541 1.027 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749676020 BDCUUNUIYHFPFJ-KGLIPLIRSA-N 425.580 1.490 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1749707143 AOLNTNKFIPDALO-GXCZYJTRSA-N 443.573 1.937 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H]1CC 1749721317 HACYTEJCMYMGEC-ILXRZTDVSA-N 433.600 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749731024 ZEODDLJYPDRHEO-JXFKEZNVSA-N 448.549 1.110 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1760137065 FFLZWDIJRWZDNC-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1760184433 XFFDZYGVRXAYRY-MAUKXSAKSA-N 429.546 1.566 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCC1 1760240677 YRODIZIEQPSAJB-INIZCTEOSA-N 449.552 1.972 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1760245775 LPVWNDWVHSYKLF-TZIWHRDSSA-N 448.531 1.988 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCCC=C)CC1 1760256083 LDKUSCGMVYWHKJ-UHFFFAOYSA-N 433.520 1.269 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1760317755 AHFAOIRTBKVCIJ-GHTZIAJQSA-N 439.564 1.579 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760376698 AQQPGBLRTAMPDF-INIZCTEOSA-N 429.956 1.806 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CCC)OC)CC1 1760402316 JYXZVSOQWKZEQH-ROUUACIJSA-N 441.598 1.829 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760449160 CFQYTMSBELBCBV-IBGZPJMESA-N 442.568 1.854 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1CC 1760450264 HJQWCGLDXMGGIC-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCCOCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1760453367 UGJQXJPQROXYQJ-KGVIQGDOSA-N 433.553 1.770 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760557078 ZNFDGMUZJLPPTL-ZWKOTPCHSA-N 444.561 1.112 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760569036 ASSPJDVUOCRUMW-NRFANRHFSA-N 445.593 1.805 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1760713546 OBBPVKLDSMURCX-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1761360528 OKHUZRVZICLESQ-GJZGRUSLSA-N 442.524 1.222 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1762214316 BDVRPDDXASJGBT-KBXCAEBGSA-N 430.509 1.950 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1762611358 MCIKTKQFRXPJJJ-SFHVURJKSA-N 446.506 1.536 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1766245285 RKKSIEBJGNIDDF-IBGZPJMESA-N 426.521 1.975 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1766718477 GQZYAWBSJLPIFR-CRAIPNDOSA-N 448.549 1.858 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1769156471 CNRVXUDFRZSMPB-SBUREZEXSA-N 435.532 1.694 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCOC(F)F)cc1 1770741182 ZNGRPIUWBMTYRH-UHFFFAOYSA-N 425.461 1.927 30 10 IDEE Cn1ncc(N2CCC[C@H](C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)C2)cc1=O 1849283698 DBYGEUQNEKVPSR-IBGZPJMESA-N 436.516 1.581 30 10 IDEE C=CCOC(=O)[C@H](NC(=O)[C@@H]1COCCO1)c1ccccc1I 1850705245 KDZBSNTYXXEHPE-UONOGXRCSA-N 431.226 1.593 30 10 IDEE CC(C)N1CCN(C(=O)[C@H]2CCCN2C(=O)CCON=C(N)c2ccc(F)cc2)CC1 1853408014 XAZYPEJJSBKUEV-LJQANCHMSA-N 433.528 1.396 30 10 IDEE N#Cc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1 1858625437 HUSKXPQAFZNIAF-UHFFFAOYSA-N 427.442 1.943 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862558417 TVQXVPLUUBQBFD-LJQANCHMSA-N 425.441 1.697 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870563744 NJFMKDIHURNQBP-UHFFFAOYSA-N 426.492 1.458 30 10 IDEE Cc1ccc(=O)n([C@@H](C)C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)n1 1889387134 PCIWTVLTGFHXQF-NRFANRHFSA-N 443.592 1.150 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2073246998 YWACZPNEHUWWQX-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE CC1(C)OB(c2cnc(CNC(=O)CNC(=O)OCc3ccccc3)s2)OC1(C)C 2241555300 LCIZOVVTXQHWOG-UHFFFAOYSA-N 431.323 1.985 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)COC1 2247906803 QLMWTSDDPIAVPF-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCN1C(=O)OC(C)(C)C 2255624585 GMNULCFCVYGOBC-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)n1 2255653895 PJSFBHBFJMICKE-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1 2255674152 KGUXXCSZNNUAEQ-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255708881 OVFDFJZKKYUHMN-GJZGRUSLSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255831093 QDNUWJONFYAZSD-STQMWFEESA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256660753 IKYDGXZJFJSYFK-KGLIPLIRSA-N 433.314 1.859 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2256928693 VUZLSGUUQDCKAE-UHFFFAOYSA-N 427.310 1.925 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2259345944 NKBXJCQWDPYKLK-DZGCQCFKSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2267092465 NYFPGUBRKWEMDV-ZSEKCTLFSA-N 448.329 1.217 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2267182596 AJYJLYGDVQHMSY-UKMLZYKCSA-N 448.325 1.989 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267192528 SAJNCRWTZWTCLP-DGCLKSJQSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2267596622 PASIGOLEIRDKTN-QFIPXVFZSA-N 447.341 1.794 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2320978810 MSFJLTGJIXETTI-JLTOFOAXSA-N 440.346 1.319 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)O 2337286942 FZHRQANGSRYFKI-GDBMZVCRSA-N 443.309 1.508 30 10 IDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2367819360 SIJPEQRNFQLUEK-DXIQSLLYSA-N 434.558 1.755 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371197962 WPZNLJDGDZLNJB-NQIIRXRSSA-N 436.530 1.918 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 105288359 QRXRYKRXGYSQMO-GOSISDBHSA-N 445.479 1.691 30 10 IDEE C=CCOC[C@@H](O)CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)C1 169680458 NHTIPIFFDSEXPY-VQTJNVASSA-N 432.517 1.532 30 10 IDEE CCOc1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2C[C@H](O)COC(C)C)cc1 254875645 BOCUNAITNFDUPI-HNNXBMFYSA-N 444.492 1.466 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccccc2I)CCO1 410144392 WIGJNKGXGJUUNH-SWLSCSKDSA-N 447.298 1.897 30 10 IDEE COc1cc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C#N 427230837 RVACPFZLNOSJHQ-KURKYZTESA-N 433.530 1.293 30 10 IDEE COc1ccnc(N2CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2)n1 446636076 DYFXTANIMVSVMR-UHFFFAOYSA-N 437.504 1.974 30 10 IDEE C=C(C)Cn1c(SCC(=O)N[C@H](C(=O)OC)c2ccn(C)n2)nnc1-c1ccco1 470746284 WPXWPQXDMUUDER-INIZCTEOSA-N 430.490 1.970 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 478022903 ICSUGHORFSMFQS-UHFFFAOYSA-N 448.570 1.062 30 10 IDEE CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2CC)c1=O 478734456 DRDCSAYYGSJRAT-UHFFFAOYSA-N 429.517 1.383 30 10 IDEE Cn1cc(-c2nc([C@@H]3COCCN3S(=O)(=O)Cc3ccc(C#N)cc3F)no2)cn1 480700056 BEWGCVOBPPWNHT-INIZCTEOSA-N 432.437 1.384 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC[C@H]3CN3CCOCC3)C2=O)cc1 488246839 ISAJONBRCARVPS-SFTDATJTSA-N 425.533 1.555 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 492305432 UEXHGDQRMDKWFF-UHFFFAOYSA-N 430.574 1.461 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2)c1=O 514835278 DCYOLBNHMBXYGA-UHFFFAOYSA-N 437.546 1.631 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)NCCN(C)C 535371487 FWIQMYQZYGISDY-HNNXBMFYSA-N 434.484 1.948 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCSC[C@@H]1C#N 572916997 ZOPFTIBWCFFYSZ-HNNXBMFYSA-N 438.575 1.103 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c(F)c1 586864268 PWDVENUMXQXCCK-UHFFFAOYSA-N 430.386 1.576 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cc1C 589157310 UEFFVXSQICNHMA-UHFFFAOYSA-N 441.553 1.529 30 10 IDEE CN(CCC#N)C(=O)CCN1CCCC2(CCCN(CCC(=O)N(C)CCC#N)C2)C1 589281414 ZBWXZDBMRSVQQT-UHFFFAOYSA-N 430.597 1.689 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)CC1 620507094 NROXOZLHFKCSNV-UHFFFAOYSA-N 429.542 1.874 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 680516247 CURGGKKDLCJHBS-UHFFFAOYSA-N 448.523 1.662 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 728527794 PTCCGANRMBODRS-GOSISDBHSA-N 447.513 1.891 30 10 IDEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730144101 XILWPZOOGGXXDZ-SFHVURJKSA-N 445.589 1.581 30 10 IDEE C#CCN(CC(=O)Nc1ccc(I)cc1C)[C@@H]1CCS(=O)(=O)C1 731212710 JEWCDLKEQRERSE-CQSZACIVSA-N 446.310 1.660 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 734293864 QYCOEUJRZGIKMY-GOSISDBHSA-N 447.538 1.915 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 734348595 WJTMCHYFRZMRRT-UHFFFAOYSA-N 432.477 1.222 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cccc(CC)c3)c2=O)cn1 735068946 MXLJOMYMYJOYMP-UHFFFAOYSA-N 447.564 1.850 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCCN(c2ccccc2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742676490 IZLKSNMFQXEJGF-QAPCUYQASA-N 440.525 1.816 30 10 IDEE C#CCN(C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)[C@@H]1CCS(=O)(=O)C1 751684678 KOEMTNUCCRYWDN-QGZVFWFLSA-N 448.928 1.843 30 10 IDEE COC(=O)[C@H](OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1 755188364 ZMDOZOFQIOIKQF-FUHWJXTLSA-N 445.472 1.831 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1 758639805 GWWOTOBPNCMBSQ-RDJZCZTQSA-N 434.518 1.189 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1 763435793 AHUSUUBQXBHOON-CQSZACIVSA-N 440.500 1.031 30 10 IDEE Cn1cc(-c2cc(COC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)on2)cn1 769041176 CEGNZKABFKWOIP-UHFFFAOYSA-N 429.458 1.637 30 10 IDEE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)[C@]3(C#N)CCOC3)cc21 769850965 QOGJJJSFBPSTSD-INIZCTEOSA-N 428.308 1.661 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 777751300 CMIMBBZYSKTQPD-XJKSGUPXSA-N 427.885 1.416 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 777896678 BUXPHDFCAQPEJV-ZBFHGGJFSA-N 447.962 1.566 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)n1 788862809 VPMPRDBINNLCBK-UHFFFAOYSA-N 439.564 1.411 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)n1 790115450 QKKMRJNAUISSHI-UHFFFAOYSA-N 432.550 1.306 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccccc3C#N)c2=O)c1 794608669 LJQMSEYKZLWQHX-GOSISDBHSA-N 444.516 1.608 30 10 IDEE C#CCN(C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1CCS(=O)(=O)C1 798320524 RAFUKZDCXMXDGQ-INIZCTEOSA-N 436.511 1.021 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)cc1Br 800411143 FBMCRYOUAHAGSA-IEKKQPAFSA-N 433.283 1.453 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2F)CC1 804161639 UNOXOGAGGJGECY-UHFFFAOYSA-N 441.482 1.911 30 10 IDEE C#C[C@@H](NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C(C)(C)C 807878995 KDPPCSAVEDSDKX-CQSZACIVSA-N 429.336 1.967 30 10 IDEE COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc(C#N)n1 813738596 JIIJFVCLYIZMHT-GUYCJALGSA-N 436.394 1.569 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc(Cc3ccccc3F)no2)cc1 1133440053 VEBOQVUCNZEUSD-UHFFFAOYSA-N 443.460 1.921 30 10 IDEE Cn1cc([C@@]2(CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCCO2)cn1 1134580974 FAZQKLPFEMRMBZ-GCJKJVERSA-N 436.472 1.319 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N3CCN(C(=O)CC#N)CC3)nn2)CC1 1137371758 WSMVNASYRATTSB-UHFFFAOYSA-N 431.497 1.048 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)CC1 1141805830 CMEFUIDEOUKNFL-IBGZPJMESA-N 430.553 1.812 30 10 IDEE C=CCCC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1155474237 DMXQCNXAGHCZTE-DLBZAZTESA-N 439.490 1.762 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1155779219 IIJXDFJKJDUJOO-KGVIQGDOSA-N 434.489 1.663 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1160234474 DBKPBUQXNXOIKQ-JLTOFOAXSA-N 435.550 1.732 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)[C@H](O)C(F)(F)F)nnc12 1161719325 DTFKPYCOKDYNQN-HZMBPMFUSA-N 441.435 1.750 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)c1ccccc1Br 1161724185 DLMQGFOTRPKUJW-AWEZNQCLSA-N 438.303 1.337 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](Cc3cncs3)C(=O)OC)ccc2c1=O 1161774849 FEDKEYXXXJXPOG-HNNXBMFYSA-N 430.511 1.842 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H](CC#N)C(F)(F)F)CS(=O)(=O)[C@@H]2C1 1178330148 OHTQNNCBOIBXHP-FDYHWXHSSA-N 439.456 1.617 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@@H]1CCOC1 1179422148 HKZVZAMXLBBZFV-ROUUACIJSA-N 449.573 1.940 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F 1208473104 CXOARJRRVCHULN-QDXKXIGTSA-N 446.494 1.953 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286387133 AUCTVGGVMAJUKF-PMACEKPBSA-N 444.557 1.550 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCOC1 1286409001 NGJAWQXJMSAIEA-KRWDZBQOSA-N 426.546 1.738 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(N)=O)c1 1286446212 DEKMBVWIFUCQNM-UHFFFAOYSA-N 443.511 1.889 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286470020 OSEWKCXYBJMJQH-FGZHOGPDSA-N 439.560 1.831 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1286487880 QPXJWOQJYXQWSE-GOSISDBHSA-N 440.935 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCCOC)CC1 1286493359 GLVGMBKNMCKUIL-UHFFFAOYSA-N 449.559 1.909 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)CC1 1286551889 NVSSAPCBTWRFRZ-FUHWJXTLSA-N 435.550 1.909 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286780042 PICSOAOKBMIUOT-OKILXGFUSA-N 439.314 1.188 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1286781367 RBTPUPODAPBBSN-MOPGFXCFSA-N 445.612 1.521 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1286783119 KRBPGMIZRKEZPZ-ZDUSSCGKSA-N 432.912 1.611 30 10 IDEE C[C@@H](C(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 1287499670 VAFWEIMCTILQJG-DOTOQJQBSA-N 432.525 1.975 30 10 IDEE CC(C)CO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1287821799 CAQPQNCBFVJLQE-RDJZCZTQSA-N 433.534 1.944 30 10 IDEE CC1(C)COCCN1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1289045279 QQSHFHKSJORIOI-MRXNPFEDSA-N 431.928 1.833 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)s1 1293852683 JKLQCJVBCZUWOR-HZPDHXFCSA-N 428.576 1.533 30 10 IDEE CCOCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 1297585078 LUXPBHPVMFDNSW-OAQYLSRUSA-N 439.564 1.408 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@@H]1CCOC1 1300286226 GJORSOAQALUPJX-ROUUACIJSA-N 436.520 1.822 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)N(C)CC)c1 1300331569 MPOSUXLTEBLRFZ-UHFFFAOYSA-N 431.500 1.875 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300502877 ZBAWLZGSHLTTNF-RTBURBONSA-N 429.546 1.317 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ncnn1-c1ccccc1 1300673130 FSXKZODQBBSKAQ-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCOCC1 1300673532 NZJJXIFDYDXHHL-UHFFFAOYSA-N 432.594 1.831 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1300710453 BKIWCNZPGSLGGI-HBMCJLEFSA-N 444.624 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCSC2(C)C)CC1 1300710839 NGLQQGIZDXKQDC-QGZVFWFLSA-N 446.621 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN(C)C(=O)OC(C)(C)C)CC1 1300730979 JDVLOVSJWNENKX-UHFFFAOYSA-N 448.568 1.647 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1300988388 BWQHYPRMNKQVLV-BZUAXINKSA-N 448.611 1.031 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1301130402 ZNIZCNLCXZHDDB-IBGZPJMESA-N 447.609 1.824 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301491774 YKGAZNHHHJJYCA-UHFFFAOYSA-N 449.490 1.630 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1301499093 XFGZMILJEXFNFC-DOTOQJQBSA-N 443.577 1.476 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(C)C1 1301588578 HTCGCOXIEBEXLA-INIZCTEOSA-N 428.580 1.328 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@@H]2C)c1 1303776229 COMWMPZWQDLUJN-AWEZNQCLSA-N 430.486 1.016 30 10 IDEE CN1CCN(C2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)CC1 1309777213 BJGKNZAJGJSXNB-UHFFFAOYSA-N 427.368 1.721 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315818505 ZXRJUDAZBZGRID-GJZGRUSLSA-N 425.472 1.634 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nn(C)cc1I 1356277025 JYXBYSNXZGCCPV-JTQLQIEISA-N 437.245 1.037 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358959701 NZIGQKGHLRZBGR-SFHVURJKSA-N 444.557 1.422 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(C)(C)C)nc1 1359023360 IGDFBMFIIPJBAI-KRWDZBQOSA-N 426.521 1.936 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)C(C)C)CC1 1359032908 IHJWLUOSBPJUIW-QHCPKHFHSA-N 425.533 1.879 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC1 1359038701 GWPMAAPYEYPKPT-NRFANRHFSA-N 431.537 1.619 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1359299573 ISQWFKJJNSPZMS-MOPGFXCFSA-N 442.568 1.599 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359302096 WRLQVMKZADDETQ-KRWDZBQOSA-N 441.467 1.580 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1359330976 IUGWYUYZWBWGBW-SFHVURJKSA-N 442.545 1.742 30 10 IDEE C#CCN(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(=O)OC(C)(C)C 1441945139 JKYDCFORPKPKHB-SFHVURJKSA-N 428.533 1.875 30 10 IDEE Cc1cccc(CN2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1454306015 AAURQFGIZIANIQ-XLIONFOSSA-N 426.542 1.924 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](CNS(C)(=O)=O)C2)n(Cc2ccco2)c1C 1460735391 WGRONGFQBFDUJD-MRXNPFEDSA-N 433.534 1.428 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1462697996 GTZKBWSLPBIJRK-OAQYLSRUSA-N 433.512 1.418 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 1463660218 TXQZEANHARVVTA-SFHVURJKSA-N 447.333 1.607 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccccc1OCC(F)(F)F)c1cc[nH]n1 1464360417 LRNGTBUQMKBZKH-UHFFFAOYSA-N 428.367 1.951 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2ccc(F)cc2)s1 1464882607 WDAWDZZECHQTKV-UHFFFAOYSA-N 425.507 1.440 30 10 IDEE COC(=O)[C@@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(OC)c1 1470148961 XGXVIEFSSWAXSW-YJYMSZOUSA-N 445.497 1.543 30 10 IDEE CCc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498988753 WZTPVCHSUARAGC-YVHXKWHWSA-N 440.479 1.604 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1504593969 DJWHIRXGWMZPAE-LJQANCHMSA-N 440.504 1.201 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1504830561 YVQUJKVDKRFCHS-UHFFFAOYSA-N 448.549 1.237 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1507539692 XLSLBRAWMGOGRZ-JKSUJKDBSA-N 425.624 1.466 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507630113 SWWUZZRSJQGWAD-YRVHBCJASA-N 445.570 1.212 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1507633557 SZSVTUHZUJTDFV-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccs1 1507658875 QMJXKKFCZFOABR-UHFFFAOYSA-N 447.524 1.880 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1507677426 ZNOFUWPDRHPOII-OAQYLSRUSA-N 432.594 1.182 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1507713463 KQZHRYVGVQOTTH-OFNKIYASSA-N 442.564 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1508142796 GZTOQSZGPUZRCA-UHFFFAOYSA-N 442.545 1.509 30 10 IDEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1510102974 DGWBMEVIHDFQLF-ROUUACIJSA-N 446.563 1.591 30 10 IDEE Cc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1510788146 SYYPYKJHWMTOOJ-IRXVASQBSA-N 439.476 1.040 30 10 IDEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1515130662 KMUMLIGAIKYGAS-GDBMZVCRSA-N 444.488 1.858 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1515744559 VCPZFYPNRCIIEF-GOSISDBHSA-N 433.534 1.493 30 10 IDEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1518974027 GRUWNVUXXRMUEM-HNAYVOBHSA-N 442.561 1.927 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(CN4CCNC4=O)CC3)C2=O)cc1 1536619682 SIBNAMCPXITPII-GOSISDBHSA-N 438.488 1.027 30 10 IDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 1536642252 XVJLIUGVJDRYPZ-FUGAYHEQSA-N 426.557 1.925 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](CC#N)C(F)(F)F)n2C 1538122655 DVUBKIQMBHVXOO-CQSZACIVSA-N 431.440 1.717 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCC1 1538983134 OASUUYUZKDQKRK-INIZCTEOSA-N 431.562 1.958 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1539224387 GFQLWSWCGHCWDY-RXVVDRJESA-N 436.578 1.443 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1539300188 ROPSCEIGHATANY-JOCHJYFZSA-N 448.589 1.606 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1540862122 RKYPDIRYWCKXHM-RBUKOAKNSA-N 445.612 1.809 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2F)CC1 1540868610 LJEFXMQLUUOFLM-UHFFFAOYSA-N 440.458 1.642 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)C)CC1 1540871368 KEOXOWGGTJGFDG-LJQANCHMSA-N 426.521 1.623 30 10 IDEE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1540991290 KTNIGLGDNSQTEF-FZFLATATSA-N 443.552 1.450 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1546770370 VUEBCBJEJVCLTK-QGZVFWFLSA-N 448.549 1.283 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555985272 LVOGJWQXEWAZIP-MGTIBEPZSA-N 429.456 1.488 30 10 IDEE O=C(NCC#CCO)c1cc(I)cc(I)c1 1556370509 YBCNBIGZLPRSBN-UHFFFAOYSA-N 441.006 1.621 30 10 IDEE C#CCN(CC(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1)C(=O)OC(C)(C)C 1558102382 IJRXEBHZRJWSFV-UHFFFAOYSA-N 448.524 1.556 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)cc1 1558253116 DYTMQNWSAUCCKF-SFHVURJKSA-N 427.482 1.696 30 10 IDEE CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H]1CCN(O)C1=O 1569561875 YAYAISRLRIWITG-UONOGXRCSA-N 427.299 1.523 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CCCN1C(=O)OC(C)(C)C 1586356408 QHRYYUWWCDZNME-OPAMFIHVSA-N 439.520 1.612 30 10 IDEE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1587024834 ORLCFJAGPOHHFP-CLCXKQKWSA-N 432.546 1.460 30 10 IDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1587718335 DFHKRCRVNAXCBM-UHFFFAOYSA-N 439.520 1.915 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1587759182 PXGLCHLABIZYHH-QGZVFWFLSA-N 433.578 1.970 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1588309833 FTDAJLYKXWNILJ-UHFFFAOYSA-N 429.431 1.033 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1588733721 YTSBWUGWAGMKAR-ZWKOTPCHSA-N 425.537 1.742 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1589530564 WQBYSDOVLWMIEV-HBFSDRIKSA-N 444.580 1.953 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N1CCOCC1 1594943058 JYLVCNVCFCKVQN-UHFFFAOYSA-N 447.565 1.109 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1)C1CC1 1595058488 NKXXRFZSVRUSQD-HNNXBMFYSA-N 438.579 1.579 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595602511 LQKZAGNMJIVHAC-MRXNPFEDSA-N 434.541 1.925 30 10 IDEE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/CCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1614465087 ADHLLVLYTWRLEA-BSJVWZCDSA-N 447.572 1.762 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1619988984 UKXZTLGCRLQQIM-WBVHZDCISA-N 425.555 1.567 30 10 IDEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1620078416 ZKQILVLFHLUXQV-HXUWFJFHSA-N 427.440 1.699 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1620172117 UBNTVYPEXNSNJO-UHFFFAOYSA-N 427.490 1.371 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)s1 1624667084 MZVKWHQEKBGGHR-HZPDHXFCSA-N 429.633 1.793 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1632966151 JHSATIPXMMQBGG-JKSUJKDBSA-N 426.336 1.164 30 10 IDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CCOCC1 1635116643 NQEKDFFCYHHLJA-UHFFFAOYSA-N 438.506 1.382 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1637186714 XQNHBTBVLPGURM-DLBZAZTESA-N 440.587 1.976 30 10 IDEE Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1637383215 VNKCWCKJRUHKRS-GOSISDBHSA-N 431.518 1.164 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCS2 1640198961 ASIXOXLOFQPOLK-FWHMADFJSA-N 437.543 1.059 30 10 IDEE CCNS(=O)(=O)c1cccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1642353033 HIHJWDHPUZDJGU-UHFFFAOYSA-N 435.527 1.088 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2cn[nH]c2)CC1 1643153586 JVSPSCSKIHTKIB-UHFFFAOYSA-N 444.561 1.353 30 10 IDEE COCC#CC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1653003171 YQMCMNCCUTUUGO-UHFFFAOYSA-N 425.526 1.953 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C(C)(C)C 1666432497 VLHGPRILWRXJLZ-ZBFHGGJFSA-N 427.548 1.321 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 1666845574 PACLGSCWWUCNBY-UHFFFAOYSA-N 446.504 1.913 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1672353952 UGWCMILARLOWKB-KXBFYZLASA-N 437.422 1.369 30 10 IDEE N#Cc1cn(CCNC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c(=O)nc1O 1675770564 HHRABLWWOIAIKP-UHFFFAOYSA-N 431.880 1.522 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1679944339 LIVMAGJYTAWCFC-GJZGRUSLSA-N 433.513 1.652 30 10 IDEE C#CCCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689900567 JKSAYLWFBKSJIX-FQEVSTJZSA-N 434.544 1.404 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1689972440 POPJSCRRVHFRQA-UHFFFAOYSA-N 426.546 1.802 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCS(=O)(=O)CC2)CC1 1690142382 MTOOMYISZLLFLW-UHFFFAOYSA-N 444.561 1.064 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(COC)CCOCC2)CC1 1690143027 ZHGALIWDVHUYII-UHFFFAOYSA-N 440.548 1.682 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1690624167 IJESJQQYRJNMAL-INIZCTEOSA-N 425.555 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)C(=O)C1 1690725279 KZOYUWDKMYUGBB-UHFFFAOYSA-N 443.573 1.589 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCS1(=O)=O 1691811341 LZXDGSBVXPGJMA-INIZCTEOSA-N 430.534 1.904 30 10 IDEE CN(C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1696652074 QPDUAPSRPVJJDR-AWEZNQCLSA-N 434.522 1.155 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC 1696995701 AODDXGKSZDCCRM-UHFFFAOYSA-N 427.509 1.073 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(-c3cccnc3)n2CCOCCCO)CC1 1698489273 RGJHIPLUSYMZGY-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705658409 PCAWBIIGTYDMNW-KRWDZBQOSA-N 435.561 1.997 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1705677846 DYFDSMKENPUQFV-RTWAWAEBSA-N 448.520 1.538 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCOCC1 1705680435 ARNCZVCTMVFYGL-GFCCVEGCSA-N 436.376 1.660 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705791944 IVXQMWHJHGPPDZ-FOIQADDNSA-N 437.566 1.813 30 10 IDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705830785 AEGMHQBGPHRYOZ-INIZCTEOSA-N 425.580 1.850 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)C1 1705922307 KNULDRCOPJTTND-MSOLQXFVSA-N 431.585 1.037 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1710972442 DAPXLRYCSZORIK-NRFANRHFSA-N 445.527 1.937 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1712166880 ASNLWRRBRMVSGB-UYAOXDASSA-N 428.512 1.960 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ncnn1-c1ccccc1 1722425643 GVXYCAPYVTXFCF-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722526147 PXCFRJWIYHQADR-AABGKKOBSA-N 446.596 1.711 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(N)=O)cc2)C1 1722713130 DJVDEQYTUUBEJP-IAGOWNOFSA-N 425.493 1.549 30 10 IDEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1723073019 KKYVZNGQVJMZJS-HXUWFJFHSA-N 428.472 1.530 30 10 IDEE CN1CCC2(CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CC2)C1=O 1729602392 WLGWCFXEBFLXTK-UHFFFAOYSA-N 438.532 1.664 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1730401145 FMCFEPYULBNIKA-NHCUHLMSSA-N 438.532 1.927 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1731017609 ZFLYBVILNJTTLH-RTBURBONSA-N 444.561 1.619 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CCC2)CC1 1740833752 XLJYUZHSTMCBLQ-PWFNWSNSSA-N 429.612 1.592 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1740891243 WHCVDZNXYKDPEQ-LBPRGKRZSA-N 448.471 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740994809 TZWVVBHCIHXZOE-ZWKOTPCHSA-N 435.594 1.669 30 10 IDEE C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1)N(C)C 1741855996 LXHNAFKTWIBDJN-BRWVUGGUSA-N 449.556 1.265 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(SC)CCN(C)CC2)CC1 1748994284 XMEBRIAJVCVPJM-UHFFFAOYSA-N 439.633 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2cc[nH]n2)CC1 1749010680 UYNWJEAVUHRRNX-UHFFFAOYSA-N 438.536 1.055 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1749115443 QDXLLALWNPSJLW-PMACEKPBSA-N 444.580 1.848 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749193962 VBLMNLCQSKGPDE-KRWDZBQOSA-N 443.573 1.780 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749658629 SBNWCJAJCQKUEI-IBGZPJMESA-N 426.521 1.151 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(N2CCCNC2=O)CC1 1749721299 GDLWVKOZGBUVFG-INIZCTEOSA-N 438.598 1.777 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749729788 SBKKEDJPWZBZPY-UWJYYQICSA-N 447.561 1.715 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1750059823 CHEZOSNFAFCWCL-BRWVUGGUSA-N 439.630 1.995 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1751008151 IDBJOUVJRYCDQQ-YWZLYKJASA-N 449.533 1.455 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760137371 RMYQGYWHWWZWKP-GOSISDBHSA-N 425.537 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)N2CCOCC2)CC1 1760269480 JDYNEDQBFWPIGO-GOSISDBHSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1760269829 PVZFWQKRJHOUTD-PZJWPPBQSA-N 442.608 1.868 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1760296724 VESBSVSFGAXBLZ-JRWGXLCNSA-N 431.500 1.782 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCOC2)C1 1760310481 HAJYPGHHOOGHHV-KRWDZBQOSA-N 426.315 1.305 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760425828 WFVXCEIWSZUZAG-IRXDYDNUSA-N 438.598 1.693 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1760465132 XMCGDJPQVSSUSQ-ZIAGYGMSSA-N 433.625 1.082 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1763512514 DMKJMMCOSYWLIF-MJGOQNOKSA-N 444.561 1.713 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1767332109 MATYTKHORUPSAR-UHFFFAOYSA-N 433.520 1.736 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1768809389 NKJPELIMIOLAOM-RLBWVDARSA-N 438.488 1.705 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1 1769135385 ARACKBLHCFQQGE-HXUWFJFHSA-N 437.548 1.452 30 10 IDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1769158250 IWOSIEVBSGYMTD-QFBILLFUSA-N 442.495 1.991 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1770165596 JEWOKUUCLCPJTG-KRWDZBQOSA-N 442.520 1.449 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1ccc(C#N)o1 1771278328 ALABABVJYCDSQH-KEYYUXOJSA-N 437.522 1.384 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CCO1 1771536812 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Cc1c(C(=O)N(CCC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832437 MDDXUVJWSHIQNM-UHFFFAOYSA-N 426.326 1.546 30 10 IDEE CC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2256067480 PQUMNBAQOJOMJF-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCCC(=O)O)Cc1ccccc1 2256922652 HRZYGJIMAWSEQX-UHFFFAOYSA-N 428.298 1.622 30 10 IDEE CN1C[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2258953757 FRWDIYLDYDSDSY-HNNXBMFYSA-N 435.330 1.205 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2260787133 BISPURDKQUOEOV-VFNNOXKTSA-N 433.318 1.701 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267270136 JNOQJKBCZLHOCM-MRXNPFEDSA-N 447.341 1.747 30 10 IDEE CC1(C)OB(c2cncc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2267272018 WFVNJEDKHBPIBR-CYBMUJFWSA-N 441.259 1.912 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267542488 SGJQVQXWFXRPQI-UONOGXRCSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267873481 PTVUMBIAOBOUCC-HUUCEWRRSA-N 444.341 1.619 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267876363 MPJFGENEAFDWHC-RRFJBIMHSA-N 444.341 1.904 30 10 IDEE Cn1cc(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2269065301 LUOJAFIZKSRNDA-INIZCTEOSA-N 443.309 1.509 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269073108 GJUQZSPOCYGZSN-PBHICJAKSA-N 443.309 1.508 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300306359 WCPJKCVLMBGQAD-IBGZPJMESA-N 441.359 1.448 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 2315602629 SXDAMBYIBFZXSX-CQSZACIVSA-N 434.346 1.752 30 10 IDEE COc1cc(C=NNC(=S)NCCN2CCOCC2)cc(Br)c1OC 2323045838 YQFQBCDEAXNNCJ-UHFFFAOYSA-N 431.356 1.597 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC(C(=O)OCC)CC3)cc2C1=O 9702285 HBVIFLUVNDARML-UHFFFAOYSA-N 428.441 1.427 30 10 IDEE C=CCn1c(=O)/c(=C\c2cccc([N+](=O)[O-])c2)s/c1=C(\C#N)c1nnc2n1CCCCC2 105441848 NUICJXQOQWPXSI-JWRHMULSSA-N 448.508 1.873 30 10 IDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CO)(C(=O)O)N[C@H]2c1ccc(/C=C/c2ccccc2)cc1 248251665 SMMCROKGJCPVQJ-HGLNVUCZSA-N 444.487 1.942 30 10 IDEE C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 431247632 OKSQTCKNQWRVDL-YJUYQMCSSA-N 440.500 1.948 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3ncc(Br)cn3)CC2)c1C#N 432521502 XMJLWHXWGMPVRU-LBPRGKRZSA-N 433.314 1.746 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3ncc(Br)cn3)CC2)o1 433001370 ZQORXMKLMGSHNP-NSHDSACASA-N 434.298 1.407 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cn1 462083557 HXOYHMNMECMAQN-LJQANCHMSA-N 430.472 1.515 30 10 IDEE COC(=O)CC1(NC(=O)c2ccc(COc3ccccc3C#N)o2)CCS(=O)(=O)CC1 474457484 YNEUDEJGTUANBV-UHFFFAOYSA-N 446.481 1.971 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(CC)(CC)C1 508797983 QFWXZLJKXVSQEQ-OAHLLOKOSA-N 429.612 1.909 30 10 IDEE Cc1ccc(C(=O)Nc2cc(Br)cnc2O)cc1S(=O)(=O)NCC#N 520862757 FCXXHACSWWHLDX-UHFFFAOYSA-N 425.264 1.912 30 10 IDEE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 542042972 GVCMCODLQWIJCI-UHFFFAOYSA-N 430.442 1.764 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(C)C 544080013 BAQFIJLICNHFCI-UHFFFAOYSA-N 441.582 1.842 30 10 IDEE CO[C@H](C)c1noc(CN2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586860313 AXJQZFRAFXGKQW-CQSZACIVSA-N 444.467 1.138 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@@H]1CCCO1 590914593 BTEZLOUUVOEMQG-SFHVURJKSA-N 448.548 1.666 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 591386628 PBFCDNFTXDGIEI-UHFFFAOYSA-N 432.905 1.046 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 609522198 ZOSDTIYESLEKMU-HKUYNNGSSA-N 435.546 1.064 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(=O)N(C)C)c1=O 679185949 NXLUORBGNILZKP-UHFFFAOYSA-N 427.501 1.318 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 679532167 JSCDQDHXVXAVRG-UHFFFAOYSA-N 449.554 1.752 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CCN1C1CC1 732707340 YCRAIIGILZLZRA-LJQANCHMSA-N 433.516 1.809 30 10 IDEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 745812667 BVYQLCWPKMHQNV-UNEBPCJRSA-N 426.521 1.023 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 750045914 QEULHMMZKMYIMK-UHFFFAOYSA-N 433.424 1.848 30 10 IDEE CN1C(=O)N(CC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C(=O)C12CCCCC2 751632082 KSKRDVHHXOFQQG-AWEZNQCLSA-N 430.486 1.865 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2C)CC1 753017675 CHJHMZXAYDFSGT-RDPSFJRHSA-N 449.555 1.542 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(OC)cc2)C1 760305501 XTEDVQVEVBUTTP-HOCLYGCPSA-N 433.534 1.567 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1NC(=O)CCN(C)C 768154411 OBRYMBILPJSUKF-SFHVURJKSA-N 426.521 1.023 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1 782859461 XOLOLTGYTSMZAK-GZBFAFLISA-N 434.518 1.211 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2OC)c2nccn2C)cc1C#N 785624869 KUIGKOBFRAUBAO-HXUWFJFHSA-N 433.468 1.831 30 10 IDEE C#CCN(C(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 807551542 VKFLJPONAJGWPE-UZLBHIALSA-N 443.566 1.234 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 813563533 LBSRELREUUSNDF-GWCFXTLKSA-N 441.435 1.693 30 10 IDEE N#CC1(CC(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 815413659 ZFULYHXRBYFQMH-UHFFFAOYSA-N 441.893 1.536 30 10 IDEE C#CCN(C)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 818595938 UVVYCJKIVZZCKQ-KRWDZBQOSA-N 442.379 1.674 30 10 IDEE CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)ccn1 856656221 MPFVDQHFDMRBOO-CWJYSFMFSA-N 441.532 1.818 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 915874838 BOTUTZLYTNTPAY-UHFFFAOYSA-N 431.452 1.752 30 10 IDEE NC(=S)NN=Cc1ccc(N2CCN(c3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 1083962354 VBNGIWZNDJVKSR-UHFFFAOYSA-N 428.474 1.817 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)[C@@H](C#N)C2(SC)CC2)c1 1132904112 ORAHPXSHDMFNOP-HNNXBMFYSA-N 426.564 1.125 30 10 IDEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)NCC(F)(F)F 1136340967 KMVSXZMFNIRONX-SECBINFHSA-N 433.228 1.940 30 10 IDEE CN(C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1)S(C)(=O)=O 1136440900 JJYKGPWQUAPIJC-UHFFFAOYSA-N 427.567 1.519 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1137537399 NGPMCHQBCYVVHM-YCRPNKLZSA-N 430.509 1.147 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)nc1 1143527880 ABZKPBJXNFTVQS-QUCCMNQESA-N 434.418 1.849 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 1152974285 RJDNVAVGTKAUIM-KRWDZBQOSA-N 444.598 1.175 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)c2cc(C(=O)OC)on2)s1 1160398069 SBIRNLYCFLICEH-UHFFFAOYSA-N 427.504 1.581 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)CC2=O)cn1 1163652177 LSDFHYJJLKHNLI-AZUAARDMSA-N 436.516 1.491 30 10 IDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])c(C#N)n2)CC1 1189796298 MEOOALCLWCOOGV-UHFFFAOYSA-N 425.449 1.063 30 10 IDEE C=C(C)CS(=O)(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1191326228 ZYRVHEAKQSXVCT-IRXDYDNUSA-N 442.582 1.760 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1286292344 HUWMBAXCFMEPMG-TZMCWYRMSA-N 436.563 1.036 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1286391469 IWLXENWBHBEBGN-HNNXBMFYSA-N 444.529 1.839 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCCn1cc(CO)nn1 1286402226 DIBTVMJSTLUTAO-UHFFFAOYSA-N 426.484 1.740 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(CC)n2)CC1 1286483761 XWNUJQSJAKMQJP-UHFFFAOYSA-N 427.578 1.417 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286484940 RDNUJTYKVGYHSP-FQEVSTJZSA-N 436.560 1.835 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCCC2)CC1 1286485145 WCGRQFGPDYDYBQ-UHFFFAOYSA-N 441.605 1.511 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@@]1(OCC)CCOC1 1286566179 MJPVHQPHJSYDCD-LQBOVUBWSA-N 435.569 1.872 30 10 IDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286625117 GZROVVMOZHQDKZ-UHFFFAOYSA-N 429.912 1.364 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286779423 IQMKYZFYCRSIFK-MRXNPFEDSA-N 437.953 1.914 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286780643 GWNGIHJGJLDQBJ-FXAWDEMLSA-N 428.585 1.957 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCOc2ccccc2)CC1 1286784969 ABGJWJOQLKRUCW-UHFFFAOYSA-N 447.543 1.843 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286816300 FFDAOWZBIHARSQ-KRWDZBQOSA-N 425.599 1.692 30 10 IDEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cs1 1289395265 MSYPIHIOUQMNGB-BBRMVZONSA-N 438.579 1.768 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCS1(=O)=O 1300433083 XWEVEPWCLMXXFO-KRWDZBQOSA-N 449.964 1.898 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300495497 ICEVIRRVKZSSDJ-DCXXXQMHSA-N 436.578 1.698 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300495644 IZGWLBHKFAQXMI-OALUTQOASA-N 435.594 1.285 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1300499504 SWGLTULVMLGKKU-KRWDZBQOSA-N 425.518 1.301 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1300509657 RIAKVHAVIQPZTA-KRWDZBQOSA-N 438.557 1.994 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(OC)CCOC1 1300671981 RYYXJUXFLZFPLT-UGKGYDQZSA-N 428.489 1.682 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1300698716 YVUUWNHFITUXRB-UXHICEINSA-N 439.539 1.426 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2COCCO2)CC1 1300718800 FQEPESHHVJWLDR-KRWDZBQOSA-N 444.923 1.375 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cc(OC)ccc2OC)CC1 1300731035 KYOWSRAQJVAQQB-UHFFFAOYSA-N 441.532 1.846 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC)[C@H](C)C1 1301497539 YNJXGWMGMDGTKU-GOSISDBHSA-N 434.548 1.963 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301594548 GSLAPGNTJJBNGC-KBPBESRZSA-N 430.490 1.959 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1301966613 WLCHOWIJCKEOBO-HNNXBMFYSA-N 429.525 1.712 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(=O)N(C)C 1302105782 HSVRWHMYKHIIJF-QFBILLFUSA-N 442.520 1.540 30 10 IDEE COCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1302141889 WUOAOXQHEYGXJZ-OAQYLSRUSA-N 443.483 1.311 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)CC1 1303000482 GMWCMMUZRMESHA-SFHVURJKSA-N 437.504 1.495 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@](CO)(NC(=O)OC(C)(C)C)C3)CC2)o1 1304250645 UFSIHTHMFSIRRS-JOCHJYFZSA-N 447.536 1.949 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCCCCC)cc2)CC1 1309800449 BTMCYXMMTCQRKL-UHFFFAOYSA-N 429.564 1.030 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1313488702 HJUZDHZZKGKGJE-LJQANCHMSA-N 426.521 1.973 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1315652854 AQKKKCWWWLQDOW-QZTJIDSGSA-N 443.504 1.790 30 10 IDEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1350003231 XMAPGTZKPQTCBV-UHFFFAOYSA-N 433.540 1.966 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CNC(=O)c3ccccc32)c1 1354286289 QBRRTDIABHCLHS-VUSLFOADSA-N 426.498 1.965 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1358882145 UFBXWCMSJSMAOG-OAHLLOKOSA-N 425.489 1.456 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1358955897 VWZBMAQAPONPTM-QGZVFWFLSA-N 447.536 1.539 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358961254 VGADWDGJQYSFGK-ROUUACIJSA-N 430.578 1.395 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1358994099 FBIBFVRJGVIPMO-INIZCTEOSA-N 440.554 1.696 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1CC 1359057570 CYYSBBBUHDWFDD-ZACQAIPSSA-N 441.623 1.602 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359299348 CLEMYHRCIGSFSG-SJORKVTESA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359302016 UOLBAOIAMOXHMQ-GOSISDBHSA-N 428.512 1.663 30 10 IDEE C=C(C)C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC 1454716929 LNNKGMORPOPUGG-HNNXBMFYSA-N 426.491 1.140 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cccc(OC)c3)CC2)c1 1470783324 NLOVTUFSYNOOHL-UHFFFAOYSA-N 427.526 1.565 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCCNC(=O)CC1 1472360886 ZWMRJCBGEZMJRF-QGZVFWFLSA-N 434.562 1.659 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1503888799 FVXBSQKUOARIIK-LJQANCHMSA-N 440.504 1.901 30 10 IDEE CO[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503936935 BCRROQXBLWIMLJ-LZLYRXPVSA-N 426.525 1.931 30 10 IDEE CO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505111778 OUJDSGYRUQBZJE-MJWGMMHASA-N 428.518 1.682 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1505134472 FYFLCZIJQMQDJU-QZTJIDSGSA-N 445.545 1.636 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCOC2)c1 1507548848 WMISKOCIUMHOFM-SFHVURJKSA-N 438.532 1.899 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCC2)CC1 1507740317 LGXSMHQZERYZCJ-UHFFFAOYSA-N 438.580 1.201 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507858061 BFLFYFNADQNGEF-GFCCVEGCSA-N 439.278 1.637 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)CCS(C)(=O)=O)cc1 1508101527 ZUVKZCWNULGMCE-UHFFFAOYSA-N 428.518 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCNC(=O)[C@H]1CC 1508143684 MUIWLQNHHFHXDB-GOSISDBHSA-N 447.561 1.481 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1509717719 WEVMIIPBYKTJSX-QFIPXVFZSA-N 437.504 1.762 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1509846563 FOUOYWQJCQGRSG-UAFUQJIBSA-N 444.536 1.387 30 10 IDEE N#Cc1cccc(OCc2cccc(C(=O)NC3(C(N)=O)CCS(=O)(=O)CC3)c2)c1 1532671605 KLHFFUKLKFGZLS-UHFFFAOYSA-N 427.482 1.300 30 10 IDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccc(Br)cc1 1538539826 NGDIPQBMXZGNKP-UGSOOPFHSA-N 449.330 1.954 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCS(C)(=O)=O 1539026640 XLBRPJCEWGEFKT-LJQANCHMSA-N 444.605 1.145 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539072317 PHKRKZKYLFGRES-FQEVSTJZSA-N 428.581 1.720 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1539212616 WLIKWMDTLLVHKV-INIZCTEOSA-N 440.529 1.874 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540874755 RECRXJFWSHPYPV-CABCVRRESA-N 432.550 1.433 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540912814 IUBLUTYUDFWUBY-UHFFFAOYSA-N 445.593 1.173 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1554353389 XCJZDRGWWFCWNO-YWZLYKJASA-N 432.431 1.754 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1555191417 GWGWOXLZJMOZKE-MSOLQXFVSA-N 431.518 1.103 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCOCC(F)(F)C(F)F)cc1 1555989523 NHZSTQNPYAQTSY-UHFFFAOYSA-N 426.374 1.670 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1555994426 WPBIASSURIEKHP-DLBZAZTESA-N 433.463 1.425 30 10 IDEE C[C@H](CC(=O)NCCc1nc2c(s1)COCC2)/N=C1/NS(=O)(=O)c2ccccc21 1558588290 AGOJABXTKBRAIX-GFCCVEGCSA-N 434.543 1.392 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCOCC1 1565105417 HPOCEMRIXIULNB-GOSISDBHSA-N 425.938 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(OC)CCOC1 1587568951 TZIONXIHZCGWMR-BTYIYWSLSA-N 446.577 1.810 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(OCCOC)CCOCC1 1587620446 FCWDBXXUHMCBRQ-INIZCTEOSA-N 445.520 1.676 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1588139518 OIAPWJZXSLZBKH-ZWKOTPCHSA-N 433.578 1.510 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588197987 BCTMTQSZZGYGDY-IBGZPJMESA-N 436.541 1.561 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2Cc2cnn(C)c2C)n1 1588722898 IFLGZOROMVLGBR-UHFFFAOYSA-N 447.547 1.857 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)[C@H](C)CC)CC1 1588733716 YTSBWUGWAGMKAR-QZTJIDSGSA-N 425.537 1.742 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCC(=O)N2CCOCC2)CC1 1588891576 RDHUBLKYNFCFQZ-QGZVFWFLSA-N 430.553 1.006 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1589088694 FSZGSVVLBYLAAG-QGZVFWFLSA-N 427.530 1.885 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1589547883 WSHZJCIXFMGFME-AOIWGVFYSA-N 430.553 1.931 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1593741779 XGOMGGXVPUHQMH-GOSISDBHSA-N 441.598 1.530 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595506836 NVVRELNXAOCJJN-CZUORRHYSA-N 444.923 1.624 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1595555529 BKADVIXKSRIWKL-CQSZACIVSA-N 432.475 1.506 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595569139 ANSPOTQHASIJNF-ZWKOTPCHSA-N 441.488 1.488 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1618762559 SAOSHYOYOCCJBV-CZIZESTLSA-N 441.467 1.183 30 10 IDEE Cc1cc(Br)ccc1NC(=O)CCNC(=O)Cn1cc(C#N)c(O)nc1=O 1626312927 DHTYPDMSCUPICB-UHFFFAOYSA-N 434.250 1.037 30 10 IDEE Cc1nc(N2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 1628227807 IQGAFCLGRZTSMU-UHFFFAOYSA-N 445.549 1.061 30 10 IDEE COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 1632115381 LLRRFDXTAKKVOD-FOIQADDNSA-N 429.498 1.834 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 1632623367 BPGHKZCDVFQFHG-UHFFFAOYSA-N 436.350 1.890 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1636856707 GZKWNUYALKILDY-MCIONIFRSA-N 449.451 1.078 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1638906587 XPGLVHRXDAFEJE-GOSISDBHSA-N 441.513 1.537 30 10 IDEE CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639783095 WAYIZWBJWICAQO-YIZRAAEISA-N 426.304 1.749 30 10 IDEE C[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1(Br)Br 1648028845 PQEAAMDSVPSVMC-LBPRGKRZSA-N 432.072 1.100 30 10 IDEE C#CCN(C(=O)c1nnn(-c2ccn(C)n2)c1C)C1CCN(C(=O)OC(C)(C)C)CC1 1649385279 PMIPRSIKEBRSFS-UHFFFAOYSA-N 427.509 1.784 30 10 IDEE C[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 1653057799 YDHJLRIPNRZAFY-MRXNPFEDSA-N 425.510 1.887 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 1666422767 BZNLUEMLEQBYTH-UHFFFAOYSA-N 430.505 1.872 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1689852022 YRBOBRPFFDQSEP-NVXWUHKLSA-N 448.545 1.066 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2C[C@H]2C)c1 1689872259 SUDLDWYTJXWBHL-KYJSFNMBSA-N 427.530 1.817 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c[nH]c2ccccc12 1689966645 YBCKGRFPPASJSD-IBGZPJMESA-N 442.545 1.404 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1689991164 XLBKZVYEKLJWII-VQTJNVASSA-N 444.557 1.603 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1nnc2n1CCCCC2 1690053119 XVYKREKYPTUYFB-UHFFFAOYSA-N 434.548 1.424 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1690077582 RSXVTXDLTBZPML-QGZVFWFLSA-N 447.536 1.138 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCS(=O)(=O)C1 1690104636 CAAMRNIOLPXMRB-OAHLLOKOSA-N 438.500 1.668 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1690205972 DGNPDJXMKIXYQE-GPMSIDNRSA-N 440.591 1.140 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690330198 CSDJEOMFPLCGTF-KGLIPLIRSA-N 448.886 1.457 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1690485644 YZZTVXJNHKUFIQ-QGZVFWFLSA-N 431.566 1.571 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCO[C@H](C)C1 1690668692 FIRRHRJQXAXBIV-OAHLLOKOSA-N 437.504 1.109 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1690719906 VJGXXZRENSEWQS-OAHLLOKOSA-N 437.953 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690722353 GNEFTUIGCAMBRZ-PKOBYXMFSA-N 446.577 1.098 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1692662965 NALOCLKNCOSMMV-QAPCUYQASA-N 441.511 1.992 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1696989770 GHJGHOJOPUPRDR-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1705544138 FXQKNLAYWTWCEV-UHFFFAOYSA-N 441.532 1.905 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705581189 VEHROMMBCOWOEP-RTBURBONSA-N 436.516 1.277 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)nc1 1705627312 CNAAQPOTWQHKIL-LJQANCHMSA-N 437.548 1.749 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCOCC)CC1 1705645837 HHQTXRILSGHXFQ-UHFFFAOYSA-N 441.532 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C)CCOCC2)CC1 1705649015 HEUSSJUWXIURDC-UHFFFAOYSA-N 425.537 1.461 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1705660855 JBQRDWAAQGHBIZ-UHFFFAOYSA-N 449.527 1.809 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705736773 CCEQEUFEXRSRAD-LJQANCHMSA-N 432.569 1.119 30 10 IDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C)C1CC1 1705854287 JRTORRBGJPYTGT-MRXNPFEDSA-N 444.540 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1705898337 IRDLLISQYCLBBX-HNNXBMFYSA-N 443.504 1.654 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705898644 SDCHSYUTQFWIBB-RCCFBDPRSA-N 441.532 1.983 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705932130 MMJWTDKCLGJIST-QGZVFWFLSA-N 434.566 1.532 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705956869 YDEFYHMPJROZTN-QZQOTICOSA-N 443.552 1.450 30 10 IDEE CC(C)c1nnc(N2CCC3(CC2)COC(=O)N3)n1CCN/C(O)=C1/N=CC=CC1=O 1706300516 KYUSAPZHBDMHIY-ICFOKQHNSA-N 429.481 1.007 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1722351172 HUICVAHGAPHIBU-FUHWJXTLSA-N 433.534 1.148 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(OC)c1 1722353820 SOUNEELQOHXPMO-UHFFFAOYSA-N 436.472 1.514 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(C)(=O)=O)cc1 1722357337 ZELXZOKGLHSAEY-UHFFFAOYSA-N 426.546 1.855 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1722362613 VFOBZCVJHDFADP-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCCC2=O)cc1 1722378621 GGTPBHZGDPEHNP-UHFFFAOYSA-N 427.512 1.922 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1722389603 KLDBWVDTBGDNIC-IERDGZPVSA-N 447.561 1.469 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1722418904 HMMWVBFBXOLFNQ-OAHLLOKOSA-N 430.475 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2noc3c2CCCC3)CC1 1722432299 XUUVBFAWBOJJFW-KRWDZBQOSA-N 428.537 1.672 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1722442540 UZDVMKOBIRWZIR-QFIPXVFZSA-N 444.967 1.332 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC)CC1 1722442947 JRFNFADTZXJTSN-UHFFFAOYSA-N 441.532 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2nncn2C)CC1 1722448816 AJGAKCZCRLSSJS-UHFFFAOYSA-N 446.559 1.596 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1722501049 GNYDNYDXVXCFPR-UHFFFAOYSA-N 444.565 1.775 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722508059 KEEMQMLCPCQXRE-JAYZULETSA-N 434.537 1.861 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)NC)C1 1722721260 RVVXYOKLGXBMEE-SFHVURJKSA-N 444.561 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCSC2)C1 1722730282 NGLPVZQUIVXEGA-LJQANCHMSA-N 439.607 1.335 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722737572 LBJXJBWCEAMLSF-UHFFFAOYSA-N 438.561 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1740555332 GOHWEDJWLMHHIN-HVCBDAARSA-N 425.518 1.618 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@H]2C)c1 1740562744 NCWSZMFMCJDYII-YLJYHZDGSA-N 449.559 1.770 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1740671712 MVLDLXSINZGSMZ-IAGOWNOFSA-N 437.541 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)C2CCCC2)CC1 1740705135 BOTAPYQDWKKKKR-IBGZPJMESA-N 428.581 1.622 30 10 IDEE C=C(C)Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740784929 CROSVAQLDWXJCG-HXUWFJFHSA-N 441.598 1.660 30 10 IDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccn(C)n1 1740941367 IYHHXXONPLXFOT-UHFFFAOYSA-N 437.552 1.873 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740961985 OJBCYZKXSYPKHH-GOSISDBHSA-N 439.564 1.697 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@@H]2CCOC2)cn1 1741804400 BQYXDCOUUGDBRN-DLBZAZTESA-N 426.525 1.539 30 10 IDEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1742350268 UAEZPZLXSWWELO-WBVHZDCISA-N 425.493 1.892 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCSC3)CC2)c1C#N 1742668971 HUTNKYLTCSQUFG-NRFANRHFSA-N 444.609 1.684 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1748886898 PBFWAERDBQNLSX-GOSISDBHSA-N 448.527 1.799 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(CC)C(C)C)CC1 1748984387 MBSUXESBFKVJCW-UHFFFAOYSA-N 448.579 1.406 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOC(F)(F)F)CC1 1749001197 LMKUMMGBJGHIND-UHFFFAOYSA-N 444.458 1.309 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1749604529 TYWXHMUIKWWPET-FGZHOGPDSA-N 427.505 1.600 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CCO1 1751035242 LBRQIUZGDNRVOQ-SFHVURJKSA-N 428.493 1.657 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1760097352 DBHFGFLAAFGTAQ-JKSUJKDBSA-N 427.534 1.580 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CC(F)(F)F)CC1 1760117468 PELRWXQRACCNGC-ZBFHGGJFSA-N 447.527 1.912 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760119860 DXWYOFMZXKFNDK-KTVWJZFRSA-N 434.500 1.884 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1760137066 FFLZWDIJRWZDNC-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760137802 MXZUDDYOWSESCS-WOJBJXKFSA-N 428.581 1.718 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1760207419 INELSQOLDUKFCP-UHFFFAOYSA-N 448.556 1.709 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1760263227 SPNXWUTWNLLGCW-UHFFFAOYSA-N 436.560 1.501 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760272422 JSRUSRCOQKMCTQ-KKSFZXQISA-N 435.594 1.947 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(O)c2)CC1 1760524366 WGXWFVNHPZLELD-KRWDZBQOSA-N 426.521 1.507 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1760524562 BBLWOMIHURXWHL-UHFFFAOYSA-N 436.560 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760556449 DTKYNHSGXXCUBM-QGZVFWFLSA-N 434.566 1.982 30 10 IDEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1760679786 XNJBYBZMQWGWCX-UHFFFAOYSA-N 449.494 1.599 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1762448441 WYHCTANPKJULTH-MSVBSMQLSA-N 438.536 1.902 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1763926702 DNXVYXJTNCMWBM-SNRMKQJTSA-N 435.532 1.836 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCOC1 1768576746 MAZBJBNWYIDHKJ-MSOLQXFVSA-N 445.545 1.779 30 10 IDEE COCCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1769639313 QYEFBGRMKYBAOL-KRWDZBQOSA-N 433.534 1.894 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1770745210 SKKYJJGPGIPBBP-INIZCTEOSA-N 449.537 1.020 30 10 IDEE COCCN1C[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1=O 1771125697 BJXCJMITTOPMAH-LSDHHAIUSA-N 443.508 1.097 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@@H]2CO)C1 1771529283 KSQDGYJBZSTNON-KNQAVFIVSA-N 427.528 1.943 30 10 IDEE C=CCN1C[C@@H](C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)CC1=O 1850203079 PRAIAMRBWZTWDZ-SFHVURJKSA-N 434.500 1.100 30 10 IDEE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NCC#CCN1CCCCC1 1851712148 WSJKQCUDTPMBPK-UHFFFAOYSA-N 426.542 1.882 30 10 IDEE C=CCN1C[C@@H](C(=O)Nc2c(-c3ccccc3)cnn2[C@@H]2CCS(=O)(=O)C2)CC1=O 1851995531 PVJIWLMQZASQOM-DLBZAZTESA-N 428.514 1.883 30 10 IDEE CC(=O)N1[C@H](C(=O)N2C[C@H](C#N)CC2=O)CSC12CCN(Cc1ccccc1)CC2 1852953778 DMFPIGQNYGLKIF-OALUTQOASA-N 426.542 1.841 30 10 IDEE C=CCC[C@@H](C)C(=O)O[C@H]1CON(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 1855333940 FLVJDNYGMBZVRA-RHSMWYFYSA-N 434.514 1.972 30 10 IDEE CN(C[C@@H]1CC(=O)N(C(=O)c2ccnc(Cl)c2)C1)C1CN(c2nccnc2C#N)C1 1856278776 UQGKZKFTOBLCOX-ZDUSSCGKSA-N 425.880 1.206 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C=C(C)C 1857346500 CCZMYWRQAKITAI-SFHVURJKSA-N 431.514 1.476 30 10 IDEE COc1cc2cc(C#N)c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc2cc1OC 1858203150 RQSIVJCGCWWRMQ-AWEZNQCLSA-N 435.527 1.861 30 10 IDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575974 ZDABYDYRTSCKFK-UHFFFAOYSA-N 432.872 1.287 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cn(C)c2ccccc12 1874432717 UDKHFEFITAWZFL-AUEPDCJTSA-N 427.534 1.906 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 1984991268 VIQUOYQEVNQQKC-ARFHVFGLSA-N 425.526 1.780 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124532274 JNVDZACBXDPEKZ-GJZGRUSLSA-N 448.329 1.596 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCCO 2186656620 FIXCNSXMJGKKQT-AWEZNQCLSA-N 447.538 1.544 30 10 IDEE Cc1cc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)sc1C#CCO 2202306942 YPJWTUPZPFVWPR-UHFFFAOYSA-N 446.550 1.896 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255605839 SGKWCOKCJZMNNG-STQMWFEESA-N 438.309 1.786 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2255650299 YULCSQVKJNCCOC-UKRRQHHQSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825847 GQHKXRIGLFVMKA-ASSNKEHSSA-N 432.330 1.696 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)n1 2255856992 DCGUAOXMHKPOHH-CYBMUJFWSA-N 433.318 1.020 30 10 IDEE CC(C)(C)OC(=O)N(CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2256057462 CBDBJUCQVPHQTQ-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE C=CC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2256062632 SDWYYZILGXWYEZ-UHFFFAOYSA-N 430.314 1.681 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2256067531 QBAVTUWBMMELAW-KGLIPLIRSA-N 432.330 1.904 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)[nH]n2)OC1(C)C 2258237086 MLMAQIALWMKKEO-NSHDSACASA-N 430.236 1.382 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267005237 LOHCFYLMRMDJJL-IIAWOOMASA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2267137158 OVNOQFOWHOFKDW-SNPRPXQTSA-N 448.329 1.073 30 10 IDEE Cc1c(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267194516 QGDNRAULGCOHKO-ROUUACIJSA-N 436.365 1.888 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267479315 KEGFBERNUPHYOA-UHFFFAOYSA-N 447.341 1.483 30 10 IDEE Cc1c(C(=O)N(C)C[C@H](O)COCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267510776 QULUIJWWHMAJFJ-SFHVURJKSA-N 443.353 1.677 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267520207 MBSVRECFWQWVES-DRZSPHRISA-N 442.247 1.381 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267526389 RIVHPNZJDDRATR-LSDHHAIUSA-N 446.357 1.862 30 10 IDEE Cn1nc(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267541266 BGVXENCBKXGTGO-IIAWOOMASA-N 446.357 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)CC(NC(=O)OC(C)(C)C)C2)n1 2267549865 QVZNZWZOJMUPOO-UHFFFAOYSA-N 449.361 1.538 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267588493 MNCWZWCFNKTHOH-OLZOCXBDSA-N 441.259 1.910 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)C(C)(C)C)NC(=O)OCc1ccccc1 2270519118 POHWMOULUQLADZ-INIZCTEOSA-N 425.507 1.798 30 10 IDEE C#Cc1cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1OC 2370293009 WVVJXVUJWDTLKW-KRWDZBQOSA-N 432.454 1.798 30 10 IDEE Cc1noc(CN2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)n1 432850146 IEXBIMKFUIEGGX-UHFFFAOYSA-N 426.296 1.519 30 10 IDEE Cn1c(=O)nc(O)c2c(C(=O)NCC3(CC#N)CC3)cc(-c3ccc4c(c3)OCO4)nc21 435954895 DPRPPDCBEWXOAW-UHFFFAOYSA-N 433.424 1.853 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 446955911 CHSPKABGPYWWLG-UHFFFAOYSA-N 436.412 1.222 30 10 IDEE N#CC1(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCN(Cc2ccccc2)CC1 479308157 OJASAMJPGFGGAN-UKAVVXHISA-N 436.512 1.213 30 10 IDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 510403076 FLNYYRXDXQSGMS-NSHDSACASA-N 434.396 1.936 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 531750810 ZKPMCCCADCGKJJ-UHFFFAOYSA-N 442.472 1.729 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC[C@H](C(=O)O)C3)CC2)c(Cl)c1 547890204 NZJFXNNOVNACGA-AWEZNQCLSA-N 440.909 1.435 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 548042404 ZGYAYOZXVPDQFG-UHFFFAOYSA-N 425.854 1.343 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNCc2cnc4ccc(C#N)cn24)CC3)CC1 563239553 RBCXVVGHANTJGF-KRWDZBQOSA-N 432.532 1.142 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 608856650 BFCHQBWKBJEVMO-UHFFFAOYSA-N 447.542 1.004 30 10 IDEE CCc1ccccc1-n1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2)c1=O 609405814 FUVHIDCPCNBMIB-UHFFFAOYSA-N 433.533 1.727 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 610358231 YYWBEVWFIZVLFD-HNNXBMFYSA-N 448.504 1.077 30 10 IDEE N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOC[C@@H]2C2CC2)C[C@@H]2CCCO2)cc1 611220342 WFYWEONTECPICL-AZUAARDMSA-N 433.530 1.365 30 10 IDEE CCn1c(O)nnc1C1CCN(CC#CCN2CCC(c3nnc(O)n3CC)CC2)CC1 676365906 FGWFOBBVVGPFRA-UHFFFAOYSA-N 442.568 1.383 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCN(C)CC1 729668598 AIYANNWUQZEYRC-UHFFFAOYSA-N 449.580 1.942 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)Cc2ccco2)c1 748526189 GIFCCUMJNXDJCK-SFHVURJKSA-N 447.538 1.365 30 10 IDEE COc1ccccc1N1CC[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 757015112 MTULDQUMCDNEOK-HOTGVXAUSA-N 442.541 1.907 30 10 IDEE Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CCC2=O)cc1C 760988021 UPFAMEVJYTYDNM-FUHWJXTLSA-N 431.514 1.012 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)C1(C#N)CCOCC1 767405136 HMCKAIFUVQCYAN-CYBMUJFWSA-N 439.490 1.136 30 10 IDEE C=CCOc1cccnc1C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 775258426 AFPFHYXUNMXMOG-UHFFFAOYSA-N 429.458 1.473 30 10 IDEE C#CCN1CCN(S(=O)(=O)c2cc(Br)ccc2OCCOCC)CC1 779631431 HRXIIMPBGQSEQA-UHFFFAOYSA-N 431.352 1.804 30 10 IDEE COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783805987 PLXDXOBIKWVKIJ-JTQLQIEISA-N 425.264 1.604 30 10 IDEE NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 787985412 DEQZASKEWAXOPM-CLCXKQKWSA-N 432.546 1.398 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(-n3nnnc3C)ccc2F)n1 789317834 UCEPTNGJVHAUMY-UHFFFAOYSA-N 426.456 1.027 30 10 IDEE COc1cc(OC)c2c(c1)C(=O)N(Cc1nnc(-c3cccc(C#N)c3)o1)S2(=O)=O 790028065 ZMZUSIFOXJDQID-UHFFFAOYSA-N 426.410 1.970 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 800779931 FDBSQLQFMAYPSO-IHRRRGAJSA-N 428.559 1.424 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 802604132 JYCQOEBQROYIAE-CYBMUJFWSA-N 443.961 1.210 30 10 IDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 805092368 CNYMVIWMQMOZPL-UHFFFAOYSA-N 441.513 1.821 30 10 IDEE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)NCCO)n[nH]1 1084101118 BSPOKZPMUUHIIG-UHFFFAOYSA-N 429.300 1.222 30 10 IDEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)s1 1084609960 NYIQOZZAWIOXSL-UHFFFAOYSA-N 438.568 1.987 30 10 IDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1124204164 VXULBXIONAKNDV-QGZVFWFLSA-N 435.546 1.675 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1CCN(C)CC1 1134266394 QEZMAOONVYQMCK-UHFFFAOYSA-N 445.585 1.846 30 10 IDEE C=CCN(CCc1ccco1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1137857628 WVHOBVMGLPRVSD-UHFFFAOYSA-N 426.516 1.219 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)C1 1141235731 XTYVVDADJVSLIE-GFCCVEGCSA-N 443.305 1.967 30 10 IDEE Nc1nc(N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)nc(C(F)(F)C(F)(F)F)n1 1163295283 ZPTSFCVBHXVHKV-NKWVEPMBSA-N 434.291 1.955 30 10 IDEE CC(C)Cn1c(CCC(N)=O)nnc1SCC#CCN1C(=O)c2ccccc2C1=O 1188430368 LCSWKMKWUBPURY-UHFFFAOYSA-N 425.514 1.744 30 10 IDEE C[C@]1([C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)COC(=O)N1 1197891757 PAZWDXYGAZPUIZ-XGHQBKJUSA-N 431.562 1.667 30 10 IDEE N#Cc1cn(CCNS(=O)(=O)c2cc(Cl)ccc2Br)c(=O)nc1O 1213161661 GIUHQHXGSJFYCX-UHFFFAOYSA-N 433.671 1.215 30 10 IDEE CCOC(=O)COCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1228565447 OWPJEZLPOOVNHG-UHFFFAOYSA-N 426.477 1.360 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286385262 LXQZRFMTOUZRSZ-KRWDZBQOSA-N 438.594 1.646 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(CCOC)CC2)CC1 1286484658 MYYFKWBSYUZMCU-UHFFFAOYSA-N 442.589 1.842 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286513038 PXBPAQCWAFWVBS-TWOQFEAHSA-N 436.534 1.799 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286558929 SASRDESPYFOOGA-PBVWOCPUSA-N 430.597 1.811 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@]1(OCC)CCOC1 1286613836 GOSCCADCWPNCTK-UWJYYQICSA-N 431.541 1.993 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825519 RSJHNHIOKLWNMY-APWZRJJASA-N 444.623 1.861 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1290573649 UFKYOABGONAWPO-GOSISDBHSA-N 435.546 1.826 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCNS(C)(=O)=O 1290845394 JWKMDHIQFDKVFG-UHFFFAOYSA-N 431.566 1.110 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)s1 1292985818 HWZIUSPRDQRQBM-MRXNPFEDSA-N 427.592 1.515 30 10 IDEE C=CCC[C@@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1298020938 OTFZMAAQFWPGLV-QZTJIDSGSA-N 428.489 1.550 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300299544 RDYOFHMDOPYFSS-OAHLLOKOSA-N 426.502 1.676 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1300511133 FTCDCWSRPCAGPS-JOCHJYFZSA-N 426.473 1.195 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@@H]2CO)CC1 1300703649 NUKJSGAZKNSINA-JOCHJYFZSA-N 437.592 1.256 30 10 IDEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1301186312 WNGSFZDSOKKYJD-UHFFFAOYSA-N 436.524 1.340 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC(F)F 1301278580 NQUYTCHHIITSHV-UHFFFAOYSA-N 442.492 1.199 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1nccs1 1302093970 OGPPFSAAWUAGAL-WBVHZDCISA-N 431.566 1.878 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCCCCCO)CC1 1303000237 MLZJQWVNTWLIPW-LJQANCHMSA-N 425.537 1.928 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1303627224 GRAMKBPBKSEUPW-LLVKDONJSA-N 444.359 1.334 30 10 IDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1303901549 VVVMXURRSFVYLG-CVEARBPZSA-N 425.580 1.417 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC(C)(C)O1 1305155148 NRRLTCWHNWOWBS-YOEHRIQHSA-N 437.504 1.809 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1305589215 DVXCEWVOKKITTN-INIZCTEOSA-N 425.445 1.470 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1315822816 COVHXTYQWJUDIF-KVSKMBFKSA-N 433.484 1.953 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1316223987 GZNZNEDTERBNGX-UWJYYQICSA-N 428.468 1.745 30 10 IDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CCC1 1316362206 GIKUUYOPPVMTGC-PMERELPUSA-N 426.546 1.820 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CSCCS2)CCO1 1316535046 CIUJPAOFOABNOJ-KGLIPLIRSA-N 431.547 1.503 30 10 IDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CC1 1322602824 WOEPNRCLEOYGMC-FQEVSTJZSA-N 437.544 1.314 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1358923900 GAFJMSXXHZPJDW-UHFFFAOYSA-N 449.563 1.881 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1358930565 XTZRDJIRFSJUDR-FQEVSTJZSA-N 439.516 1.935 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1358959599 MALOBXKQEVTHQJ-GCJKJVERSA-N 446.573 1.668 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)C(C)(C)C 1359021429 OITKKGURJZZXTF-UHFFFAOYSA-N 448.545 1.973 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1359057155 UCEYOXSAWGCCSX-MRXNPFEDSA-N 427.596 1.214 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359058413 COZXJIXCQDTHDK-GOSISDBHSA-N 425.562 1.671 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCC(=O)NC 1359089095 BHVRYXHMTWEDJH-YJBOKZPZSA-N 427.509 1.479 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1359160320 RENROAIWRZKBCV-JOCHJYFZSA-N 432.569 1.251 30 10 IDEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359252841 IGYOWNBQNANRDA-NRFANRHFSA-N 443.529 1.433 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359297344 NCWTYDNLYHKDGS-UHFFFAOYSA-N 441.536 1.947 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)C1 1359313633 PFYQLWQIQKTXMR-GOEBONIOSA-N 437.570 1.068 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1359467821 ZJKZRIRKTYRNEI-UZLBHIALSA-N 439.582 1.739 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1360471364 GPXDASGFCCIPHS-QLCIJSRNSA-N 439.549 1.960 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1443536100 ZTRRHRMOAAEUMB-LSDHQDQOSA-N 444.447 1.739 30 10 IDEE C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451445188 LAGIGTMMZKLDCB-JLHGSKIFSA-N 436.553 1.708 30 10 IDEE COC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCC[C@@H](OC)C1 1452760343 XCYNQXNDMNPUHK-YXJHDRRASA-N 437.518 1.274 30 10 IDEE COc1cc(/C=C/C(=O)NCCn2cc(C#N)c(O)nc2=O)cc(Br)c1O 1453841155 HQTHFDBIQHOGJH-NSCUHMNNSA-N 435.234 1.127 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)cc1 1456395146 MSJKRTSOWAQUHU-NRFANRHFSA-N 436.530 1.461 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)CNC(C)(C)c3cccc(C#N)c3)C2=O)cc1 1460406619 HORNJNQEUJPUBU-QHCPKHFHSA-N 435.484 1.890 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)cc3)c2)C1=O 1463251707 NEAVYMAJINHUCX-UHFFFAOYSA-N 428.832 1.465 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)cc1 1470055413 CUGQXCDECHVFRK-UHFFFAOYSA-N 436.511 1.274 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1472192219 VGMNEHAXIBPISI-ZLGUVYLKSA-N 433.530 1.823 30 10 IDEE C=CCN(CC(=O)N1CCN(c2cnccn2)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1473382838 CBSYLBKLFJNAKX-OAQYLSRUSA-N 437.544 1.788 30 10 IDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)on1 1493133662 ABDZQXRHJJNZAW-UHFFFAOYSA-N 434.504 1.372 30 10 IDEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1493777274 BQISWPCXMITGMM-IIBYNOLFSA-N 445.545 1.515 30 10 IDEE CCN(CC(C)C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1501692929 KEYHMGKWEJCNIY-ZPHPHTNESA-N 429.525 1.523 30 10 IDEE CCN1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1502327522 PGJPFVSODJSUGG-ZBBYCGENSA-N 429.569 1.924 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1F 1505276992 TYLFKOMXRLZHJG-KYJSFNMBSA-N 433.509 1.958 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1507593381 NZKXPXTVBXRIID-UHFFFAOYSA-N 435.536 1.678 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)cc2C)CC1 1507716046 LQCIAAGBJAQRKC-UHFFFAOYSA-N 435.576 1.692 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCCc2cnn(C)n2)CC1 1507729327 ZOUOEEXKQHZTOO-UHFFFAOYSA-N 432.576 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCc2ccco2)CC1 1507733644 GTXSXPVGLHFJCC-UHFFFAOYSA-N 426.521 1.451 30 10 IDEE C=CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1507928668 LOJZLPFUJNAEKY-QYZOEREBSA-N 443.573 1.852 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1507955132 VOHPALLNHMAXRM-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1507983671 RCNOMKNDJDNEBI-CQSZACIVSA-N 427.477 1.890 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2ccon2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097046 GJDNRODHWWMRME-FZNQNYSPSA-N 445.524 1.975 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1510112588 JQCVXOYJKNTFOF-VBKZILBWSA-N 430.534 1.164 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1517091511 HKJKAGJRCLZFHL-QFIPXVFZSA-N 426.521 1.973 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1(N2CCOCC2)CCOCC1 1524873607 RALAJCSTNXHELM-SFHVURJKSA-N 438.569 1.961 30 10 IDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1539116728 QVDVFMZOXXCQBZ-UHFFFAOYSA-N 433.516 1.928 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CCCO)CC1 1539126598 YVJSHBNYMIUYRM-SFHVURJKSA-N 439.582 1.013 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1539219850 GAZMRKIGBMHMBH-ZWKOTPCHSA-N 431.562 1.746 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539231604 UFCRCNUVZZTXRL-GOEBONIOSA-N 435.575 1.824 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1539328057 LDSKSQWRAJXYPK-UHFFFAOYSA-N 448.552 1.705 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1539371157 PKAAIBPCPWZQNY-MRXNPFEDSA-N 432.525 1.348 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CC[C@@](C)(C#N)C3)CC2=O)cc1 1539935748 SGXSNFLNKBZXPI-KKSFZXQISA-N 432.546 1.832 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1540073424 QBRPVKRDIKAHJF-MRXNPFEDSA-N 425.599 1.692 30 10 IDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1540080773 MYMAXZLSBQRJEZ-MRCUWXFGSA-N 432.488 1.665 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1540201111 NKMRIXYUMUUPBP-ZDUSSCGKSA-N 430.481 1.459 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1540863363 VAFUMNZDSFWVMW-RHSMWYFYSA-N 448.549 1.238 30 10 IDEE CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1545822296 YWGSFZJQLOWEFB-SLFFLAALSA-N 432.569 1.995 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)O1 1546733390 YGQASQKREQEENE-JLSDUUJJSA-N 437.504 1.809 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1547891388 BUNAIFYCHWBIJC-VQTJNVASSA-N 432.456 1.282 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555147192 CWJYFGIKGQHAHQ-ZBKJMMEJSA-N 447.499 1.958 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1555188415 FYCUPXLVPRFISN-KBAYOESNSA-N 428.449 1.634 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1567388056 NTPVUFPNCLVOEX-VFCRVFHLSA-N 438.525 1.624 30 10 IDEE C#CC[C@]1(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1583766729 MXCXXZNEWCEFKW-OAQYLSRUSA-N 439.578 1.806 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1n[nH]c(C)n1 1588200125 DHSXFYCIMYUHHJ-UHFFFAOYSA-N 427.476 1.053 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1588228067 ABOFSSOPCXGLJS-LJQANCHMSA-N 429.590 1.518 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCC(C)CC2)CC1 1588750806 FXJGSRLTHDRROL-DEOSSOPVSA-N 444.624 1.807 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588780978 ZLMLJSDLLONZKH-CTNGQTDRSA-N 425.533 1.760 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCN(c3ccccc3)CC2)CC1 1588892191 ZCIRIIXVFYWTFM-UHFFFAOYSA-N 449.603 1.765 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589528534 HCYCULACJOEJFZ-CUSZFKRNSA-N 432.525 1.487 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1594625268 GBUWRHXJKGQNHI-MSOLQXFVSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncc(CC)s1 1595465910 BFBXLWYQSTVXQN-UHFFFAOYSA-N 440.533 1.883 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595545632 ZUOYBJKKYXQQGW-ZWKOTPCHSA-N 432.569 1.164 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595745404 RRGOKSJQXYIMQF-KNQAVFIVSA-N 446.573 1.394 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1595812377 RCJFDQXDBGINNU-LJQANCHMSA-N 445.589 1.996 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1596831295 LJAURKYUPFFYRE-AEFFLSMTSA-N 439.582 1.609 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1610987960 SNQAFUJKFGEORV-PWRODBHTSA-N 441.532 1.987 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1619422800 GGGULRCZKRLIIH-SFHVURJKSA-N 445.545 1.431 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1620077597 UXGFRWILEHLNAQ-UHFFFAOYSA-N 439.520 1.474 30 10 IDEE C[C@@]12CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@]1(C)CS(=O)(=O)C2 1625543179 KKLXHFYNCOZWFU-PNHOKKKMSA-N 435.933 1.848 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1626723843 HESFKFADPUIPJL-UHFFFAOYSA-N 431.316 1.108 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)s1 1628353995 CVAGSUYLGMQQAX-OAHLLOKOSA-N 439.481 1.282 30 10 IDEE CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635696712 BCRLBIVYLWICLG-YSSFQJQWSA-N 427.567 1.960 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)c1cc[nH]n1 1636154875 JOXLBQIUXGHCFQ-WKILWMFISA-N 428.445 1.332 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2C(=O)CCN/C(O)=C1\N=CC=CC1=O 1637402896 LOUPFMNXRPSLOJ-ISLYRVAYSA-N 434.493 1.489 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)s1 1639116100 CJCHVRHXMDXRRH-FQEVSTJZSA-N 431.539 1.877 30 10 IDEE Cc1sc(=O)n(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1-c1ccc(F)cc1 1640636638 KFAADBFXIIYESI-UHFFFAOYSA-N 441.444 1.242 30 10 IDEE CN(CCOCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)OC(C)(C)C 1640767215 ULVMPOVCJKNPRD-UHFFFAOYSA-N 428.493 1.939 30 10 IDEE C[C@@H](C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)n1cnc(C#N)n1 1641390176 RIFGOINSZPLGSO-HNNXBMFYSA-N 447.540 1.465 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1 1641625707 KNLLRBZFLBPZTN-QGZVFWFLSA-N 445.321 1.704 30 10 IDEE Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)cc1S(=O)(=O)NCC#N 1643029228 QTPSAQILDMPGLY-GOSISDBHSA-N 432.546 1.708 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3nc4c(s3)COCC4)C2=O)cc1 1647930515 PPVKVQQDFZUUNC-MRXNPFEDSA-N 439.497 1.651 30 10 IDEE C[C@]1(C2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1652066135 KSUPYTCXSQXHLL-HTAPYJJXSA-N 439.472 1.500 30 10 IDEE CCOC(=O)[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCC1(F)F 1655214195 FBMXBEKNZGXPOZ-CQSZACIVSA-N 425.436 1.024 30 10 IDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1ccncc1 1656072366 POEHASJVBMZOCN-UHFFFAOYSA-N 436.563 1.158 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 1660634141 WDACHAGCAAEVDC-UHFFFAOYSA-N 430.551 1.852 30 10 IDEE C=CCN(C(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1672709722 RSTURTZWTOUSOS-AWEZNQCLSA-N 441.554 1.960 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1679944183 ILKFDJIMXZMRID-MGPQQGTHSA-N 425.486 1.596 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@H](C(=O)OCc4ccccc4)C3)CC2)c1C#N 1687386171 AQFSVGRNRXTNEU-WGSAOQKQSA-N 436.516 1.954 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1689847862 KDFLBMFYQRPMLX-AWEZNQCLSA-N 440.529 1.227 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689991221 YNZAIQNGEQJQCE-ZWKOTPCHSA-N 449.577 1.205 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CC)CC1 1690132690 WPIJGWYVUUSHMS-NRFANRHFSA-N 433.560 1.968 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sc(C)nc1C 1690622465 PYVHAFRDMCFXFJ-HNNXBMFYSA-N 425.580 1.941 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690646482 SIYMWLJNKYTURJ-UHFFFAOYSA-N 443.577 1.953 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1690671484 XANOVGQBQWDXFF-GOSISDBHSA-N 430.553 1.313 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1690677410 WHIIPFPSHBVIIA-UHFFFAOYSA-N 444.511 1.608 30 10 IDEE Cc1cccc(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1693210541 HQTNYDVAZMWBGM-UGKGYDQZSA-N 426.521 1.994 30 10 IDEE CCCN(C)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1695292257 KBWCXHJSNCHQBR-HZPDHXFCSA-N 449.581 1.569 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)C)CC1 1695929846 FTILAMINSPNPGY-FQEVSTJZSA-N 439.564 1.746 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN(C(C)=O)C2)CCOC1 1696046325 HWADANKMYGLDQU-DENIHFKCSA-N 430.553 1.929 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1696450702 GSEZLFQPBWHELK-SIKLNZKXSA-N 427.505 1.600 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CCN1S(C)(=O)=O 1698453781 PBZVFRVIPHFBCT-JTDSTZFVSA-N 444.561 1.712 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1705561033 MXASAHCXUHLWMG-HXUWFJFHSA-N 443.573 1.744 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705565487 VCGGZZMRZFFEFX-OTWHNJEPSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705569259 AEHCQQLLWKTTEB-INIZCTEOSA-N 442.607 1.071 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1705599107 VHAQSXNTJUKAMA-PXNSSMCTSA-N 426.542 1.745 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CCCCC2)CC1 1705639083 FRUHHYZABXZYGY-PGRDOPGGSA-N 449.621 1.267 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1705693557 HYLWSWXDTBDYGT-AEFFLSMTSA-N 447.584 1.639 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1705733040 NCLWCOIWADOPLG-UHFFFAOYSA-N 429.521 1.841 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705879993 QTDSBVOLVIEDKR-OXQOHEQNSA-N 436.534 1.160 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](COC)C1 1705901729 VDHRPZZSVOURNX-OAHLLOKOSA-N 430.509 1.561 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1705902900 LZTXICJQYRPPJD-IBGZPJMESA-N 426.521 1.854 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCOCCS(C)(=O)=O)C1 1706935616 VKNBSAGGROYIJF-LPHOPBHVSA-N 425.555 1.363 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708493630 VISRSNMNSNVFKI-JSJMYKNQSA-N 443.552 1.671 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCOC1 1710885263 YTWGVQDITAYGJZ-SFHVURJKSA-N 432.550 1.713 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccncc1Cl 1711221710 JMYQADZPKBOAOW-UHFFFAOYSA-N 445.936 1.899 30 10 IDEE CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1711348422 HYSMZPYUDADDAI-VLGSPTGOSA-N 429.525 1.064 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1722336997 SXGXIVMQNDNPNP-KRWDZBQOSA-N 436.516 1.940 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722359005 HWMUXZJIPOAPIC-LAUBAEHRSA-N 432.546 1.741 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 1722365272 DKVWPBKAEIVXCJ-KRWDZBQOSA-N 430.530 1.677 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722620228 JVBGAUDVMYEOEP-NRFANRHFSA-N 431.541 1.495 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C)C1CC1 1722651621 WGODDUFMNMDGEH-SFHVURJKSA-N 447.565 1.107 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722698779 MDOYQKDMCACBPH-IBGZPJMESA-N 444.580 1.703 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CCO1 1722843735 PVYARUQFBKQDDD-LJQANCHMSA-N 444.561 1.274 30 10 IDEE CC(C)c1nnc(N2CC(C)(C)O[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723149687 DKGNMVOJETUHPZ-BZCZAOFBSA-N 444.536 1.702 30 10 IDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1723185047 CICXQMZAMKNYCF-UHFFFAOYSA-N 443.577 1.962 30 10 IDEE COC(=O)N1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1729786965 IXVACFHLCXEXQK-QGZVFWFLSA-N 445.549 1.841 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1730900237 JIUNIBYSASPKTP-UXHICEINSA-N 427.505 1.864 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1740616989 JZXSTCZSOMHLLF-WBVHZDCISA-N 447.561 1.879 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622130 UWQYLMSWTPAJKY-QGZVFWFLSA-N 429.546 1.926 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1740629837 BSFJQDQTKHEZRV-OKZBNKHCSA-N 435.594 1.802 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCC1 1740664485 SATXMJVANLIJSM-UHFFFAOYSA-N 431.562 1.960 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC2(F)F)CC1 1740695966 IFNGASIUSNKCBP-IAGOWNOFSA-N 441.548 1.761 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740719140 ZVHYJQOFPCEWBX-QGZVFWFLSA-N 426.546 1.506 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740795476 WALVPJRXYQANKI-ROUUACIJSA-N 439.582 1.379 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1740924611 XIBVOKXAPQFXHA-NRFANRHFSA-N 445.612 1.859 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1 1740964495 PNEQBTJTHFBEBO-UHFFFAOYSA-N 430.484 1.357 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1740964988 BVOVQJLJPLUZGD-RCCFBDPRSA-N 432.569 1.953 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)CC1 1746458378 GUBIDQQGQRFXFM-MOPGFXCFSA-N 430.601 1.384 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)cc1OC 1748669631 GGAFHSVRASOWMZ-QGZVFWFLSA-N 430.509 1.269 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1748690343 QRNDWNADLHNKPW-BRWVUGGUSA-N 426.583 1.716 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1748811891 NJCNVYUOTPISLP-OAHLLOKOSA-N 427.490 1.015 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1749119053 MQPDDFVIKMYXNY-ULQDDVLXSA-N 439.582 1.629 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1749121904 QJNIIISOBFIQBY-RTBURBONSA-N 444.561 1.783 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)OC 1749326531 BJJZOCAEYOIUFJ-CTNGQTDRSA-N 440.548 1.637 30 10 IDEE COCCN(C)CCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749770022 OYEUPOAEABZNSR-INIZCTEOSA-N 441.536 1.285 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1750208035 DGQACCOVSPCRJM-QGZVFWFLSA-N 434.522 1.504 30 10 IDEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1750389972 SFXDBFRYOBIWFW-DLBZAZTESA-N 425.493 1.595 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1751093249 LZGCBQNMRKAYOX-JKSUJKDBSA-N 429.525 1.591 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760137873 YSWATUNEWFUDPO-DOTOQJQBSA-N 426.525 1.607 30 10 IDEE C#CCN(c1nnc(CC)n1CCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1760185744 CKRIAOIMUHOCEJ-HNNXBMFYSA-N 432.502 1.275 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(O)c2)CC1 1760265567 DSYMKUMLKUAIOP-QGZVFWFLSA-N 441.532 1.722 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1760290945 UXPQWRQABRVWGY-UIFIKXQLSA-N 436.578 1.747 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccco1 1760517113 CTCNTVZZCVOUMU-UHFFFAOYSA-N 429.502 1.880 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760527800 JDTNMZBBNYQOAO-HNNXBMFYSA-N 430.484 1.390 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)C1 1760536860 GNMOBTRCTKTGDZ-MRXNPFEDSA-N 432.912 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1760558574 SVHHKZCDPOCIOD-ZMSDIMECSA-N 441.598 1.498 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760761207 QNSNELRIMGUYKS-INIZCTEOSA-N 443.552 1.850 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1762700619 PVCDWUNRLYTPQL-KSFYIVLOSA-N 440.504 1.201 30 10 IDEE CC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765109331 RTOQKVNQHRVRGW-KIJUOZEOSA-N 429.525 1.569 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CC1 1767228611 FVFUBODOKBLKBX-JOCHJYFZSA-N 441.536 1.456 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1767231920 DHSCBIXKWIJQDD-KSFYIVLOSA-N 439.520 1.208 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 1767692278 IFFZYBCHIMHBMT-MPQSDHOMSA-N 445.545 1.370 30 10 IDEE COCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1770160003 RNSVJQKYSOPBAI-HNNXBMFYSA-N 425.493 1.593 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770599533 IYFMTYLGWBAASH-LZICOFPGSA-N 426.477 1.988 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CO)CC2)C1 1771357495 ADDCJCMSEUWGNL-GOSISDBHSA-N 444.561 1.307 30 10 IDEE CN1CCN(c2nc(NC(=O)c3ccccc3N3CCCC3=O)c(C#N)cc2C#N)CC1 1851857407 RFBAXVHQFBMPFF-UHFFFAOYSA-N 429.484 1.956 30 10 IDEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)cn2c1 1853082543 YQDFNMMTAJYPQF-UHFFFAOYSA-N 433.863 1.797 30 10 IDEE COc1ccccc1C(=NOCCN(C)C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853602647 XWWOFEYNOPZPSN-UHFFFAOYSA-N 432.502 1.408 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1854588323 AIPAGNYRRFJFQR-RBUKOAKNSA-N 435.521 1.780 30 10 IDEE CC(C)N1CCCC[C@@H]1C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1856005374 WAASEGYNPPAKOX-LJQANCHMSA-N 432.546 1.899 30 10 IDEE CN1Cc2ccccc2C[C@H]1C(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1856514583 NAJPJULXKCHABU-OALUTQOASA-N 427.482 1.463 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3OCCc4ccccc43)C2)CC1 1857062039 CZZQSXFNEMSLDN-FXAWDEMLSA-N 431.514 1.241 30 10 IDEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862556872 AWWMPPBYOOHRPS-LJQANCHMSA-N 425.441 1.697 30 10 IDEE COc1ccc(-c2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)nc(O)n2)cc1 1866623707 ZIOVVDUGPLXERM-IBGZPJMESA-N 433.424 1.459 30 10 IDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871577913 HJYMARAKRVAEKP-UHFFFAOYSA-N 446.899 1.747 30 10 IDEE C=CCN=c1nc(Nc2ccc(N3CCC(C)CC3)cc2)[nH]c(N(CCO)CCO)n1 1871660709 IDBIJFPYFJUXIL-UHFFFAOYSA-N 427.553 1.662 30 10 IDEE CN(c1cc(C#N)ccn1)C1CCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1 1891568106 JBGNKMKKJWBMQN-UHFFFAOYSA-N 427.486 1.688 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 1984991269 VIQUOYQEVNQQKC-BZUAXINKSA-N 425.526 1.780 30 10 IDEE COC(=O)[C@H](CC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1)NC(=O)OC(C)(C)C 2060637027 FYOYKCBYNIVHCI-IHRRRGAJSA-N 438.330 1.993 30 10 IDEE Cc1cc(C#CCCO)sc1CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2156999548 ATVSMATYEYJOTM-UHFFFAOYSA-N 446.550 1.896 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248434415 XSIUJDWJNWPPPE-LBPRGKRZSA-N 441.359 1.192 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248478955 ADZZKKXGNMCWBT-VXGBXAGGSA-N 438.359 1.891 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255595006 GNQKINWEARUJDB-ASSNKEHSSA-N 432.330 1.838 30 10 IDEE Cn1cc(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255622862 GOIJXGROMKWQLJ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255657130 KOAOWJZUEMWUBB-LEOABGAYSA-N 440.346 1.316 30 10 IDEE Cn1cc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)nc1B1OC(C)(C)C(C)(C)O1 2256881933 CSEHPZQQRKBPBH-INIZCTEOSA-N 429.282 1.119 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)O 2256916259 BSVBZSFQSKFPRK-SUMWQHHRSA-N 429.282 1.497 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)n1 2267112192 CMLBKDXLFJLNBX-ZDUSSCGKSA-N 449.361 1.632 30 10 IDEE Cc1c(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267194612 QGDNRAULGCOHKO-RUYXUALKSA-N 436.365 1.888 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2267267235 VLFBPWFDWFHGPH-HOTGVXAUSA-N 447.341 1.481 30 10 IDEE CN1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2267482944 KZMAJBRUALQFDZ-LBPRGKRZSA-N 445.247 1.014 30 10 IDEE CC#CCN(CC(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300543308 HEDKZTGPPWKCNG-DLBZAZTESA-N 439.553 1.981 30 10 IDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1 20527468 KIXDPVWOGXZALD-FOKLQQMPSA-N 441.517 1.869 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)n3nc(C)cc3C)n2N)cc1 20913510 LRSSAWJZINCWQO-AWQFTUOYSA-N 428.478 1.470 30 10 IDEE CCOc1cc(/C=C\C(=O)[C@H]2C(=O)C=C(C)OC2=O)ccc1OCC(=O)N1CCOCC1 105640280 GXDSEFSQCKUJQW-DKYZEMOZSA-N 443.452 1.551 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)n(-c2cccc(F)c2)c1C 434796937 RYHYVMRFMFDHDP-JOCHJYFZSA-N 438.463 1.717 30 10 IDEE C=CCc1cc(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc(OC)c1OC 489295812 XZGUYHFRVPRZII-KRWDZBQOSA-N 425.551 1.998 30 10 IDEE C=C(C)CN(CC)C(=O)[C@H](C)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506643008 NCBPZCZZCVRFIQ-VQTJNVASSA-N 430.597 1.655 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 507076303 DDTAFIRAUPABDX-QGZVFWFLSA-N 429.517 1.564 30 10 IDEE COC(=O)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)nc1C1CC1 509446481 GOQCGTXGYIPPPI-UHFFFAOYSA-N 442.497 1.786 30 10 IDEE C=CCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 520167726 SLADIVVTCMFLTQ-UHFFFAOYSA-N 433.452 1.730 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)CCS(=O)(=O)c2cccc(C#N)c2)c1 532824697 DPBJLYHLGJJGLT-UHFFFAOYSA-N 442.501 1.457 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCSC 540697382 QQGFAAOUBVHTTH-UHFFFAOYSA-N 446.598 1.404 30 10 IDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 558003296 DWJWGCVXGNIRAG-UHFFFAOYSA-N 441.576 1.602 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4cnccc4C#N)CC3)cn2)C[C@@H](C)O1 562348736 NGMVBWVPZPHKBM-HDICACEKSA-N 435.532 1.994 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 602740066 MHPGKWZIUNAFSH-UHFFFAOYSA-N 433.306 1.351 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 604002629 CQWKSPMKQUUVIA-UHFFFAOYSA-N 432.480 1.939 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)c1 604881799 FVNQGVBUWCJMQN-UHFFFAOYSA-N 443.544 1.418 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(F)c1 609256907 LUFSXMCNBCEACK-UHFFFAOYSA-N 430.461 1.737 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1-c1ccccc1C#N 610574473 XRSKDSVSXLLYNF-UHFFFAOYSA-N 426.501 1.897 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416370 MVOZGOIRTFDLDJ-UHFFFAOYSA-N 449.488 1.389 30 10 IDEE COc1ccc(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 742470280 CMCSKNKRBZMUHM-MRXNPFEDSA-N 442.541 1.861 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 743729101 WROXOMAYINVQDN-INIZCTEOSA-N 444.557 1.050 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc2n1CCCC2 753970937 HAEADOZUYFCOBA-MRXNPFEDSA-N 444.561 1.571 30 10 IDEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 757209663 LYSWQQHKYNJBAG-SFTDATJTSA-N 436.464 1.869 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 758078098 HLBHNLISBJKCBR-UHFFFAOYSA-N 428.448 1.716 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 758752612 CSJHVILQOBMJRT-HNENSFHCSA-N 431.880 1.220 30 10 IDEE COC(=O)c1ccc([C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C(F)(F)F)cc1 776021213 YKUMDUFEJDUPOO-VZHUHSAUSA-N 440.378 1.902 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](O)c2ccccc2)c1 776596182 INCFDPAMCBCMLD-GJZGRUSLSA-N 425.260 1.786 30 10 IDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 778290842 YUUSINBHMKCXEJ-KHPPLWFESA-N 434.496 1.967 30 10 IDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)C1 780209086 HEJOXPQEKMUAGQ-IIBYNOLFSA-N 427.501 1.632 30 10 IDEE C#CCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(C(N)=O)cc1 783016807 ZGTWUFGFDXYQOJ-ZDUSSCGKSA-N 426.420 1.809 30 10 IDEE C[C@H](CN(C)S(C)(=O)=O)OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 786608217 DHIRRXNFILHJMB-CQSZACIVSA-N 445.563 1.109 30 10 IDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)COC(=O)CN1CCOCC1=O)CCCC2 790734605 USPDSBULYWGBCY-UHFFFAOYSA-N 436.468 1.568 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 792034475 RIESZVRTJPXBHH-UHFFFAOYSA-N 428.537 1.545 30 10 IDEE COc1cnccc1N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 793153749 RYWREKQTLUGUNN-JKSUJKDBSA-N 430.509 1.681 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(C)C)c2=O)cn1 794580177 VJTVAEOIBGBIBN-KRWDZBQOSA-N 428.558 1.671 30 10 IDEE C#C[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(F)cc1 794911050 QGDJIWOBYHTBQJ-VQTJNVASSA-N 445.516 1.846 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H]2C[C@H]2C2CC2)C1=O 797425503 JXDOPHWFOLNXGN-YXJPBNQRSA-N 429.590 1.791 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 799971248 YUJJOHYPOPRXGX-QGZVFWFLSA-N 438.550 1.986 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 803698188 HKGUYBYFWZRMJH-CALCHBBNSA-N 446.525 1.629 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 809890141 UTJCJUVHFDCVFQ-DLBZAZTESA-N 434.541 1.877 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 814613381 ANFJGMDTYCCNAZ-GOSISDBHSA-N 441.465 1.287 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H](C)F)cn1 814710579 UBHHEBYONOWGIB-ZFWWWQNUSA-N 425.530 1.838 30 10 IDEE N#Cc1ccc(N2C[C@@H]3OC(=O)N([C@H]4CCN(C(=O)c5ccco5)C4)[C@@H]3C2)c([N+](=O)[O-])c1 952848400 FOEBAMDQVACXAB-YJLNNSPDSA-N 437.412 1.984 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1OC 1147365049 REXJZAFCUBNLTG-MRXNPFEDSA-N 441.550 1.717 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3n[nH]cc3C(=O)OCC)C2)cc1 1149318318 OFBREYLONVDJOZ-HNNXBMFYSA-N 430.486 1.128 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 1151745834 USRVWBSFDDMSHA-AWEZNQCLSA-N 429.564 1.758 30 10 IDEE C[C@H](CC(=O)N[C@@H](CCN(C)C)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 1156148517 UQTRBHDFZAHOLI-QAPCUYQASA-N 429.546 1.708 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2nc(C(F)(F)F)cc2C1 1157948153 ZQGNPHSQULZGEG-LLVKDONJSA-N 427.408 1.483 30 10 IDEE CCN(CC(=O)NC1(C#N)CCC1)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1196176461 UBZMRNYCPLHYMX-QGZVFWFLSA-N 435.569 1.729 30 10 IDEE N#Cc1ccc([C@H]2CN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CCO2)cc1 1198219473 OMUZGTOMSKDUBO-HXUWFJFHSA-N 426.498 1.168 30 10 IDEE COC(=O)c1cc(Br)c2c(c1)CN(C(=O)NCCn1cnc(C#N)n1)CCO2 1248552472 JBOFKJLWDMFQGP-UHFFFAOYSA-N 449.265 1.303 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1266190580 CKBMORRYAMMPCE-UONOGXRCSA-N 426.427 1.717 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC(=O)N1CCOCC1 1286303945 FEKJDZHHKVXVOD-MRXNPFEDSA-N 429.546 1.896 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1286448634 ZYJFZFJCXLYEBL-MRXNPFEDSA-N 437.591 1.683 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1286480213 RWZJSODIFBSDAI-PZJWPPBQSA-N 435.576 1.505 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2C[C@H](C)OC)CC1 1286480472 XWMBRNKFGQRZKZ-SFHVURJKSA-N 449.559 1.855 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2([S@](C)=O)CCC2)CC1 1286489847 GGJAZNMQCKNMCK-HKBQPEDESA-N 440.573 1.607 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1286493924 HZJCIGRZXUBXBM-UHFFFAOYSA-N 443.577 1.219 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1286615632 RQZBKYLUBQAOHB-WMZOPIPTSA-N 442.582 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286817431 VGECNUXBLPQGEU-GOSISDBHSA-N 444.561 1.322 30 10 IDEE C#CCN(CC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)C(=O)OC(C)(C)C 1295560919 VRXVNWOOZQLXNX-KRWDZBQOSA-N 427.567 1.710 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296130294 CNUPWQYWYIONSS-MJGOQNOKSA-N 429.594 1.685 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1298101423 AOPOVIPCLIINIJ-CQSZACIVSA-N 429.506 1.047 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 1299859768 CUYYKWJLOFDRBU-JSGCOSHPSA-N 446.451 1.285 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1c1ccc(Cl)cc1 1300112345 MIGDQSKAHSYEES-BSMWSGRKSA-N 431.876 1.972 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(c2nc(C)no2)CC1 1300339859 SETHIMYMVOLEMU-HNNXBMFYSA-N 449.581 1.941 30 10 IDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300358067 HOJIEKBTEVRLBC-GOSISDBHSA-N 446.577 1.708 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1300488865 HFMKKPOEHAEDFI-QGZVFWFLSA-N 445.936 1.517 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1300578293 KGLJYIINMBTOBI-UZLBHIALSA-N 432.571 1.612 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1300708608 WJBPBRKKVHNDSF-UHFFFAOYSA-N 433.560 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)n(C)c2=O)CC1 1300719844 SESGBSCWBKSOFF-UHFFFAOYSA-N 445.527 1.361 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)N2CCOCC2)CC1 1300728896 JCWZEKZHWQUHLT-IBGZPJMESA-N 442.608 1.697 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1300876093 RPIBMKJBBMJQFJ-JYJNAYRXSA-N 427.571 1.485 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C 1301278743 PTDIUFRPZVWQEC-UHFFFAOYSA-N 429.550 1.908 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(CC(=O)NC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305439678 PCCCNPYGZRLKLD-RLBWVDARSA-N 443.552 1.671 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CCN1CCOC 1306409955 MAZSOBCAGOCSMW-NRFANRHFSA-N 439.564 1.890 30 10 IDEE N#CC1(C[C@H](O)CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CCOCC1 1307562371 AAMIJQNOVZYNAP-MSOLQXFVSA-N 425.526 1.640 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)C1 1313282871 SIWXNZVJVRAOKM-HXUWFJFHSA-N 432.590 1.753 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C1CC1 1358992261 GRQVMPYSWFBZGR-UHFFFAOYSA-N 429.484 1.583 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC 1358992869 ZDQRXQUZPKJDOE-QZTJIDSGSA-N 428.537 1.853 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)C(C)C)CC1 1359046614 YWEVSDLLCRWAQR-UHFFFAOYSA-N 442.589 1.668 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)C(C)C)CC1 1359165805 XHRGFVMWHWPEQY-GOSISDBHSA-N 440.614 1.498 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359226901 PEYIUYYWJZKVDJ-LEWJYISDSA-N 432.613 1.981 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)nc(C)n3C(CO)CO)c1 1449516758 DRPWGVRPVRXWOH-UHFFFAOYSA-N 442.497 1.034 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O 1455189207 DWZAVTBDMGWCAC-RMYFCYLKSA-N 447.289 1.735 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC#N)C(F)(F)F 1455983820 LJPBIQFJRNYZPD-UONOGXRCSA-N 435.424 1.677 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(S(=O)(=O)N4CCCCC4)CC3)cc2C1=O 1456164434 OOERGMHPMNEZPM-UHFFFAOYSA-N 445.541 1.889 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1463163189 LYUHSVJHJBUHBW-TWOQFEAHSA-N 435.933 1.589 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1(S(N)(=O)=O)CCC1 1471904439 POKDVMAJWGZSID-UHFFFAOYSA-N 446.323 1.426 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@](CO)(NC(=O)OC(C)(C)C)C3)cc2C1=O 1472180884 UURKXLJVBFYDBJ-HSZRJFAPSA-N 443.500 1.960 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C[C@H]1CS(=O)(=O)C2 1478625366 ANKYJKDNNZSTMU-YSVLISHTSA-N 439.335 1.875 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1502057204 SRLWBUGOISKKKM-ZZEZOPTASA-N 435.492 1.560 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1507560396 HUZYOSRRIMSSMI-UHFFFAOYSA-N 428.493 1.104 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1507631825 GOZPEPJJOGSOGS-HSALFYBXSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1ccnc1C 1507665577 YIRQDLVIMWHONX-UHFFFAOYSA-N 440.515 1.979 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1oc(CC)nc1C 1507709931 FPCBBCFSIMNTGO-UHFFFAOYSA-N 426.477 1.999 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccn(C)n1 1507711835 ZTKQSLYMDMSPLG-UHFFFAOYSA-N 449.563 1.514 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1507746693 SMBFGYXDIOIEOG-QAPCUYQASA-N 427.596 1.262 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)C 1507761973 QNNSGVPAOCRUEL-OAQYLSRUSA-N 428.924 1.942 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1507821196 WEKFVNFCDCSFCC-RTBURBONSA-N 439.626 1.939 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCS(C)(=O)=O 1507972132 SXPJQHUIJGKANQ-UHFFFAOYSA-N 425.942 1.918 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)C1 1508123604 IZVCDYCUAMDQCV-MSOLQXFVSA-N 447.561 1.191 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC(C)C)CC1 1508390630 WNWVUQIIZJMTSF-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1510830485 LHUCFJRGOLENKW-GLMREEGCSA-N 426.477 1.580 30 10 IDEE Cc1ccccc1OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1511344789 LTNWONXSLVKUPN-IAGOWNOFSA-N 448.549 1.395 30 10 IDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1512676370 MFSZQOQFFNFKGL-FCHUYYIVSA-N 427.505 1.885 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1513760917 CMIRQRQAUCHDAX-FQEVSTJZSA-N 430.488 1.309 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1516833956 MEZNGIVKTSSGLC-ROUUACIJSA-N 430.534 1.514 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)nn1 1517719808 ONJJCFLZAMRBKM-UHFFFAOYSA-N 439.925 1.663 30 10 IDEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1519071396 FHOWAGNTXMGDOX-GOSISDBHSA-N 444.561 1.415 30 10 IDEE CSc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)ccn1 1520057519 CFHPBVOLRBKCSC-KSSFIOAISA-N 436.538 1.787 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@H]1c1ccnn1C 1524013517 STZPZXKYKFWLCO-SJORKVTESA-N 432.278 1.981 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 1535349416 BSDWHTXDYVVZQF-GFCCVEGCSA-N 439.419 1.993 30 10 IDEE Cn1c2c(ccc1=O)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCC2 1537919337 KYEOCBBLJBFUPK-ZWKOTPCHSA-N 433.468 1.656 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1538861103 BNPPAXPAYKCXOO-RDPSFJRHSA-N 448.479 1.934 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539328218 NTNCHGVIHZDXCN-HXUWFJFHSA-N 443.548 1.895 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccn(CC)c2=O)CC1 1539490648 YGWSUBLOHGNKRD-LJQANCHMSA-N 438.532 1.325 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539735654 MZEQBIJJJPVCEL-UHFFFAOYSA-N 444.561 1.881 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539911060 VHJQCCATRROXHX-HNNXBMFYSA-N 426.496 1.834 30 10 IDEE C=CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1540021784 VPSDZRJGSRXEKC-LJQANCHMSA-N 427.571 1.368 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1540937737 FTLGLKRRXOWJTN-IBGZPJMESA-N 433.520 1.803 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)s1 1544140511 HLISLOOUSLAJNR-LBPRGKRZSA-N 439.028 1.870 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1556665046 IHJLLRPCMYKKIH-MRXNPFEDSA-N 425.526 1.639 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CC1 1561668792 UWXAIKZVKQKNOC-UHFFFAOYSA-N 432.477 1.069 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(Cc2nc(C(=O)OCC)cs2)CC1 1564416989 JAPNDFZSRVZJJG-UHFFFAOYSA-N 429.564 1.885 30 10 IDEE C#C[C@H](NC(=O)N1CCN(c2ncc(I)cn2)CC1)[C@H]1CCCO1 1564605919 XSAOYXIVWCKYMW-UONOGXRCSA-N 441.273 1.094 30 10 IDEE C#CCN(C(=O)C1CN(S(C)(=O)=O)C1)[C@H]1CCOc2ccc(Br)cc21 1565764053 APGQKXLFNJYIKQ-HNNXBMFYSA-N 427.320 1.626 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1585000005 JUSXDVMHQMZHRR-UHFFFAOYSA-N 439.365 1.192 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1587551005 XMDCJIWRLCFSOI-GOSISDBHSA-N 437.548 1.223 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCNS(C)(=O)=O)c1 1587692395 DDCGYQBRDHMALO-UHFFFAOYSA-N 430.534 1.151 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1588581262 MCGKUQDFDKCXNM-BWAGFHJFSA-N 434.537 1.354 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(F)(F)F)CC1 1588812808 URHUBBSRUBNVOR-UHFFFAOYSA-N 434.470 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC=C(COC)CC1 1595537718 WUISUQWUZIIETI-UHFFFAOYSA-N 435.488 1.679 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1595798890 VBQKZXCAAPHAKC-QGZVFWFLSA-N 447.561 1.766 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1c(C)nn(C)c1C 1595811852 DIJLKEBUYYJURB-UHFFFAOYSA-N 443.577 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(CC)C1 1595838530 WBSLXVRCPFAMIU-ABSDTBQOSA-N 442.582 1.608 30 10 IDEE CC(C)(C)c1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)on1 1597174579 CLSNSBVPPMLQEV-BFUOFWGJSA-N 436.513 1.956 30 10 IDEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598567949 QNQJJMSORKDPLO-RIFZZMRRSA-N 436.509 1.190 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1611674437 FIXURKAMVRFDQH-UHFFFAOYSA-N 429.454 1.044 30 10 IDEE Cc1nccnc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1612454924 BRGSOTNYLLYRDU-OXQOHEQNSA-N 429.550 1.651 30 10 IDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)N(C)[C@@H]1C 1613895720 DLXYPFPYUQDIIS-GCWQTAGISA-N 445.588 1.783 30 10 IDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 1614154598 ZOZMMVUGYIKWRJ-BZROSYFNSA-N 449.554 1.754 30 10 IDEE N#Cc1cn(Cc2nc3ncc(Br)cn3n2)nc1I 1614558553 HUNFPBBUCSZQMU-UHFFFAOYSA-N 430.007 1.608 30 10 IDEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1618103511 YWXRTEBQDSUYER-HNNXBMFYSA-N 443.533 1.894 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1620010072 WJSWUZBDFGKBPG-IGGDJGDASA-N 444.536 1.909 30 10 IDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1622417121 QGUMUSUTPZRYCR-KRWDZBQOSA-N 428.576 1.876 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)C(=O)OC 1626184665 WXEOIKFXZBVWQL-INMHGKMJSA-N 436.530 1.657 30 10 IDEE C#CC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1626188463 ZMVGTXKXALWWEJ-ZBFHGGJFSA-N 444.513 1.271 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CSc2nccn2Cc2ccccc2)CC1 1632623604 GBNNEVJTOUMRDP-UHFFFAOYSA-N 425.558 1.307 30 10 IDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1(S(C)(=O)=O)CC1 1635212484 OZBBWXKCHMWDPF-NSHDSACASA-N 426.336 1.839 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)C1 1638075997 XIMRDJAGZTXNOD-TZIWHRDSSA-N 431.558 1.646 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1638488008 ZQHOQTWVYWQNIN-LRDDRELGSA-N 447.351 1.695 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1639049948 NZDRIOADYTYKOH-OAHLLOKOSA-N 447.488 1.917 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN3CCN(c4ncccn4)CC3)n[nH]2)c1C 1640969272 PPBZICJMOMTWBU-UHFFFAOYSA-N 435.536 1.418 30 10 IDEE O=C(NC[C@@H](n1cncn1)C(F)(F)F)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1648767091 PPRJSDCNLINCBL-ZCFIWIBFSA-N 436.263 1.957 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1653057694 LEHFEKJNWPTCLI-AWEZNQCLSA-N 437.497 1.457 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N3CCN([C@H](C)C(=O)NCCCOC)CC3)cc21 1675095862 SJZMLKDXPMHCCW-QGZVFWFLSA-N 428.537 1.913 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N(C[C@@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)C1 1676031222 VQLNLZWTGXQQKP-NHCUHLMSSA-N 430.549 1.902 30 10 IDEE CC#CC[C@H](CO)NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1677418663 MABKTJJXJHNFJT-LJQANCHMSA-N 433.505 1.878 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)CC1 1684703345 DLJARTWRPCJUFY-OAQYLSRUSA-N 444.532 1.904 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1689852144 BCZINKYQDZYCED-WBVHZDCISA-N 446.552 1.571 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1689852164 BKPOKJNAIOVGKU-JKSUJKDBSA-N 433.534 1.360 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(S(=O)(=O)NC)c1 1689860921 LCPZFVCJGGIHLT-MRXNPFEDSA-N 441.561 1.554 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1689892431 FSCJNMFCSXUJEG-SFHVURJKSA-N 441.536 1.643 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690022384 CJYLEAODSWQNSB-IBGZPJMESA-N 446.477 1.990 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCN(CC)CC1 1690025436 QLTJNHILOQIOKE-HXUWFJFHSA-N 436.608 1.486 30 10 IDEE C=C(Br)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690224285 JBWJEQQCBKFQSN-CQSZACIVSA-N 445.321 1.309 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1690236855 RWJGXIDVECCIMS-QUCCMNQESA-N 444.580 1.848 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690252629 HCGHSOXPJFQNRW-RDJZCZTQSA-N 432.525 1.316 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690507605 QKUDAODAMASMCY-DYESRHJHSA-N 429.525 1.307 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690667990 OZOJVQONZHQMRT-INIZCTEOSA-N 444.503 1.019 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1692659680 BCYZDMDXLXNFHM-CYBMUJFWSA-N 425.449 1.654 30 10 IDEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1694709522 NNLKPZDYVROHKW-KNQAVFIVSA-N 443.573 1.721 30 10 IDEE COCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1697727638 OBAADYFUZIENPL-QGZVFWFLSA-N 438.536 1.495 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(COC)CCOCC1 1698136565 YPBLAORPOXCQED-OXQOHEQNSA-N 425.505 1.887 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC(N)=O)c2)C1 1698486048 GDSKAAYMUFNYHQ-JOCHJYFZSA-N 435.463 1.618 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[C@H]2COCCO2)c1 1705504607 BULORWJOOQKMLI-FQEVSTJZSA-N 449.515 1.540 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705566607 POVMDCMFEOWIGY-KNBMTAEXSA-N 434.566 1.102 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1705571679 FPDBSPFODSOIBK-FFZOFVMBSA-N 444.557 1.858 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOC)CCCC2)CC1 1705631441 FNCPGJIHWXSPPQ-UHFFFAOYSA-N 428.581 1.866 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705641639 NMGXLTKPGJJXSC-UNMCSNQZSA-N 439.560 1.706 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccsc2)CC1 1705641697 PGRKBCGXYZTTOY-OAQYLSRUSA-N 428.562 1.125 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1705662822 METLTLNMVMKBNQ-UHFFFAOYSA-N 428.562 1.362 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705811599 GLTPVJMTMJQOAW-TZMCWYRMSA-N 425.515 1.124 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@@H]2C)cc1 1705910143 SNCCWCANRVNSLA-HOTGVXAUSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705938898 MMOWMDUFGZKEQV-QFBILLFUSA-N 428.555 1.145 30 10 IDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1709714727 GDLQDDMKUGCXNQ-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCOC1 1711025976 BCPRGOIYXHIRBE-SJLPKXTDSA-N 430.534 1.323 30 10 IDEE CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1711399352 FPYFGZGWMILZFY-UHFFFAOYSA-N 433.520 1.009 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1712380845 BOUBMZMGGKSXKG-UHFFFAOYSA-N 435.536 1.705 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1712711185 DPGUQSSESOHTEU-QZTJIDSGSA-N 430.534 1.514 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1F 1722420366 GEXFPMCSJATYTO-ZDUSSCGKSA-N 427.477 1.301 30 10 IDEE C=C(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1722526154 PZXADSQWSVAGHZ-VGSWGCGISA-N 438.536 1.883 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1722697809 QHKAUELSDXEQBH-HSZRJFAPSA-N 446.515 1.624 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCc2ccccc21 1722862447 BTLVXZJQJOWQBE-IRXDYDNUSA-N 445.593 1.937 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1722866603 BYOIBSAAWLURJQ-KDOFPFPSSA-N 436.476 1.540 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1723650550 DVBWHOBFJUIISL-JOCHJYFZSA-N 440.504 1.249 30 10 IDEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCCOC)CC1 1740588086 HWQYCTIGJUBUSA-UHFFFAOYSA-N 428.512 1.382 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740636411 YWLVCSCGRBBICV-RTBURBONSA-N 440.573 1.561 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740757106 MZUHWMYAOOHPSA-RYRKJORJSA-N 434.566 1.772 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1740898984 CGRHKKDMVJVTBE-ZFWWWQNUSA-N 440.595 1.802 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1)C1CC1 1740906133 LKHCBFRXZGDMSC-ZDUSSCGKSA-N 433.538 1.582 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnc(C)s1 1740963643 RPJFWBKOZZZGRJ-UHFFFAOYSA-N 445.574 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740991032 MOICMRBEZOSTCT-UHFFFAOYSA-N 430.534 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1740995324 IDXVBKWDOSIZJI-APWZRJJASA-N 444.623 1.861 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1741033865 LATWAUAZAVHVKH-UHFFFAOYSA-N 447.499 1.785 30 10 IDEE C[C@@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CCCO1 1743335421 CLSHZHWZRMELBJ-GOSISDBHSA-N 437.548 1.644 30 10 IDEE CCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745431722 DQUWPSBIEUAESB-UHFFFAOYSA-N 435.536 1.945 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[S@@](=O)CC)c1 1748692210 DTHGAQWOFFCEEF-HKBQPEDESA-N 437.529 1.560 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1748851807 OPGNBLXZKCMLEK-UHFFFAOYSA-N 431.500 1.356 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1748984280 PHUHRRRLORKAAL-GOSISDBHSA-N 449.481 1.358 30 10 IDEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCN(C)C(=O)C1 1749048877 WWHVNZBNLSMXHH-UHFFFAOYSA-N 429.546 1.901 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749139195 CIXJPIZOWTUTRQ-ZWCUEREDSA-N 433.553 1.626 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1749216020 HVQFICHBBNGAGS-UHFFFAOYSA-N 444.492 1.741 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749414986 LJNCFWHSQKEYLI-INIZCTEOSA-N 446.577 1.829 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749703345 GQLYYLDETLMKEV-RXVVDRJESA-N 443.529 1.148 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749717090 GQPMOXCNQIPREV-LPHOPBHVSA-N 438.575 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749729986 WGLJHADHGVNEAL-QGZVFWFLSA-N 441.561 1.743 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1750026199 FVOSMASTOMPQMQ-NJAFHUGGSA-N 445.568 1.093 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1750379772 HNHOBTYFBGGIFG-DIFFPNOSSA-N 438.389 1.723 30 10 IDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760132716 MRIDKRGIOZAQJR-LJQANCHMSA-N 426.477 1.998 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1760188709 LYAIVEZJDPJAMK-INIZCTEOSA-N 443.533 1.235 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760189657 KNHMILSMSHXAPK-KRWDZBQOSA-N 432.521 1.550 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760211761 LSPFHUBMSSWVIX-REWPJTCUSA-N 440.569 1.833 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC1 1760216726 YMHWUYVZKDLAAI-UHFFFAOYSA-N 429.528 1.751 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1 1760224276 DRCYQSRRHUFZPY-UHFFFAOYSA-N 425.480 1.805 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(OC)CCOC2)CC1 1760272100 YXPCDLMIUXMBJB-JOCHJYFZSA-N 443.573 1.702 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760308395 CWSLXJLSQKSYIN-UHFFFAOYSA-N 445.343 1.389 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760327599 JLEOYNRWHGRTIK-GGPKGHCWSA-N 432.569 1.321 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760516287 KNIMYAVVGYMUOB-HNNXBMFYSA-N 426.587 1.344 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1760518640 CMPONVOBDIFLOT-YGKZAACZSA-N 436.516 1.892 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC(C)(C)C1 1760548762 ORQVLNOKLOUUJS-CABCVRRESA-N 447.627 1.362 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1760688720 NFWZKXFZZQUQED-HLLBOEOZSA-N 431.566 1.999 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1761506113 VIWCLEDRVFPZMQ-BBRMVZONSA-N 438.579 1.979 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCO[C@@H](C)C2)n1 1762458673 ICNGUCKPSSVYFQ-VQTJNVASSA-N 442.568 1.369 30 10 IDEE CC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1CCOC 1763465088 AIMLJEFPSNASKU-RWNPKEDZSA-N 445.568 1.475 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1770317862 XNAFZVJQCDIBAU-SFHVURJKSA-N 433.534 1.229 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1770685075 CUKZZBPLKNLUAL-HSZRJFAPSA-N 438.532 1.709 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1771006831 HPCXAHAQFBPDSW-YJBOKZPZSA-N 437.504 1.668 30 10 IDEE COc1cccc(C#CCNC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1 1850094596 YQNXCCBFJGYCPF-HNNXBMFYSA-N 433.452 1.272 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2cncc(Cl)n2)C1=O 1854083063 YSGPUWPGIDWSLF-CABCVRRESA-N 435.912 1.135 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC(OC)(C(F)(F)F)CC3)C2=O)CC1=O 1854386846 HOLLWGGYWQGWAP-CABCVRRESA-N 431.455 1.582 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3c(Cl)cccc3Cl)C2)CC1=O 1856786518 CAMLVVSUQKJLSW-RYUDHWBXSA-N 449.312 1.876 30 10 IDEE O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(O)c(O)c1)c1cccc(O)c1 1862591852 PNCPYTRPAAUHDP-FQEVSTJZSA-N 440.452 1.714 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(N)=O)cn1C[C@H](c1ccc(O)cc1)N(C)C 1870670148 RTCRMILANMMFPS-OAQYLSRUSA-N 440.544 1.895 30 10 IDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871587787 BCCUMVTXUWBPNS-UHFFFAOYSA-N 428.504 1.655 30 10 IDEE C=CC1(NC(=O)[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1897688454 KWUSIMDHWDGCTQ-HUUCEWRRSA-N 425.526 1.896 30 10 IDEE C=C(CS(=O)(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243435042 JOJLMLIXXLKEAE-UHFFFAOYSA-N 432.348 1.075 30 10 IDEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255639670 UVHKSGPTJNRBMT-NSHDSACASA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255699334 OVHMTAQAWQKQOC-LRTDBIEQSA-N 430.314 1.515 30 10 IDEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255754154 ZUPBZHCSGOWLJO-UHFFFAOYSA-N 444.362 1.923 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255828221 REIAPLWXDDYAFG-ZYHUDNBSSA-N 430.236 1.381 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)n1 2267149384 LQCJLMPGZAWTIM-UHFFFAOYSA-N 449.361 1.400 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2356120519 NFRRMTNIUNIEQZ-QLFBSQMISA-N 440.294 1.990 30 10 IDEE CC(C)[C@H]1C[C@](O)(C(=O)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OCc1ccccc1 2370885839 NYCAOVHKFIQAQF-XMSQKQJNSA-N 433.526 1.934 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(F)cc2)[C@H](C#N)C(=O)N3)CC1 72444713 AMCMJJPBDQBIKZ-JKSUJKDBSA-N 439.447 1.912 30 10 IDEE C=CC[C@H](CO)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 410074816 MYJJAFKXDBJNOB-HZPDHXFCSA-N 432.546 1.598 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc2c(c1)OCO2 427989457 GFJXEMZKYCEBQH-OAHLLOKOSA-N 427.482 1.924 30 10 IDEE CCOC(=O)[C@@](C)(NCC(=O)NC1(C#N)CCCCC1)c1ccc(S(C)(=O)=O)cc1 430258966 NSJHIRHSLZXMKM-FQEVSTJZSA-N 435.546 1.801 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCC(=O)N(CCC#N)c1ccccc1 439919890 FTBOYQZGKXWOEX-DEPWHIHDSA-N 441.484 1.665 30 10 IDEE CC(=O)N1CCN(c2ccc(C(=O)NCCOc3ccc(C#N)cc3)cc2[N+](=O)[O-])CC1 460275184 FBMKKKSRZMNZCW-UHFFFAOYSA-N 437.456 1.944 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cn1 461315852 ZFHSNCMIXLFFSN-UHFFFAOYSA-N 427.424 1.149 30 10 IDEE COC(=O)c1cc(I)cc(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 462113833 XVKYNXSSHFRHQF-QMMMGPOBSA-N 425.186 1.741 30 10 IDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481218739 OREKIFCZPWHLCI-JKSUJKDBSA-N 434.562 1.624 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccccc1C#N 481981438 METNKZFTCMRDOJ-UHFFFAOYSA-N 445.529 1.732 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2SCC(N)=O)CC1 494506020 IRKHCKCLAWRDDB-UHFFFAOYSA-N 444.538 1.282 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cn2)CC1 500689196 UWWBFLBPYZHZLP-UHFFFAOYSA-N 434.548 1.522 30 10 IDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCOC[C@@H]2c2nnc(-c3cccs3)o2)n1 506546333 GSLLFYQTGMUHQH-CYBMUJFWSA-N 441.473 1.986 30 10 IDEE N#Cc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C#N)c2)CC(=O)NC2CC2)c1 507418405 FFSSODLALGUHMT-UHFFFAOYSA-N 430.468 1.588 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 511383587 NMJWBOCPHMNBPS-UHFFFAOYSA-N 426.521 1.273 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1 522319895 VAUFINIJKHZBPW-UHFFFAOYSA-N 428.459 1.532 30 10 IDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546198303 UGBDAEQMJSKTBE-UHFFFAOYSA-N 442.501 1.246 30 10 IDEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 552706914 VEGHTKCMTJXJIZ-DFQSSKMNSA-N 434.558 1.977 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc3cc[nH]c23)CC1 573268624 YOAPKYWGERQOTG-UHFFFAOYSA-N 437.481 1.511 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O 589158804 AYQLQMXHJZABTN-UHFFFAOYSA-N 435.427 1.286 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@@H]1CCCO1 603800438 WBDYPLHZXZDLIR-HNNXBMFYSA-N 431.583 1.878 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccccc2)c1=O 609570927 HUYYGHDQXVYLOE-UHFFFAOYSA-N 446.532 1.164 30 10 IDEE COc1ccc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1C#N 746877736 MSBMCUWYHMBUFF-GOSISDBHSA-N 429.498 1.954 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 747993334 GKHGOBBHZSUKCW-IAGOWNOFSA-N 426.517 1.227 30 10 IDEE CC(C)(C)OC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cc1 765001537 BYWDYMTZDBTODQ-UHFFFAOYSA-N 434.477 1.928 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCN1CCN(c2cccc(Cl)c2)CC1 766982433 CODGEGNURUBLMZ-FMQUCBEESA-N 446.939 1.288 30 10 IDEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 769870388 IPNLLCBNXQRINJ-UHFFFAOYSA-N 433.599 1.943 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cc[nH]n1 772464021 YSXGWHUHTQMLBF-APWZRJJASA-N 433.896 1.909 30 10 IDEE Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](O)c2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C 780211294 WKUXCFISAROMDL-QRWLVFNGSA-N 434.452 1.960 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780215818 WDMMJVQFOXGLIA-FQEVSTJZSA-N 445.497 1.804 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1C#N 780946759 OKRSABWNQBPIDG-AEFFLSMTSA-N 433.461 1.146 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)n1 789025071 NJZOKMQSOGSFRC-NRFANRHFSA-N 439.516 1.484 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N(CCO)Cc1ccc(Br)s1 792001923 BFLOHLQGGSTXIL-NXVVXOECSA-N 428.308 1.748 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCCN2S(C)(=O)=O)C1=O 795176622 JNUZAFMJKLONGA-JKSUJKDBSA-N 438.575 1.568 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 802550191 PYLSXQHVIOAMMO-UHFFFAOYSA-N 442.520 1.576 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 803525611 SIQOJEZVEDXHQF-IBGZPJMESA-N 425.510 1.172 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 808901422 FTTMXDYQQDCIMA-ZCXUNETKSA-N 437.859 1.964 30 10 IDEE N#CCCNC(=O)COC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 811365100 WAOQZDJTOZBXBG-RCCKSBRTSA-N 433.464 1.039 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cn1 1083940806 IAXNZIONVCPRHQ-UHFFFAOYSA-N 433.448 1.829 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cn1 1084465619 LRTJQLZYCYSZJX-CQSZACIVSA-N 443.537 1.250 30 10 IDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)nn1 1129930492 JKWITIMDMUSSHY-UHFFFAOYSA-N 431.518 1.384 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cc(Cl)cc(Br)c2)C1=O 1132853710 GXOLSNVNJLOKMU-UHFFFAOYSA-N 428.670 1.738 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1142187198 CWFSPMCMMIFLDY-CQSZACIVSA-N 437.497 1.457 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCN([C@@H]4CCOC4=O)CC3)C2)C1 1151969108 FTBCQRLGMROXPP-GEXQTFPDSA-N 446.548 1.669 30 10 IDEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(CCC#N)CC1 1152067839 GZRRXWSFAWLCDU-OJEAVSNDSA-N 436.603 1.756 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nc[nH]c2C12CCOCC2 1163330277 WPHCQIOUBNJJOB-AWEZNQCLSA-N 429.502 1.039 30 10 IDEE C=C(C)C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1171471101 VRYKVYXRWUVUEB-INIZCTEOSA-N 440.518 1.530 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@H](O)C4)C3)CC2=O)cc1 1177265286 INRHGGQNVJXVJP-XCJLJZCSSA-N 438.528 1.569 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 1213542175 UURUPTGVIUJZPO-UHFFFAOYSA-N 434.562 1.097 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286369932 YAXXOYIQWXJBEP-QHCPKHFHSA-N 435.532 1.372 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccn(CC)c2=O)CC1 1286474587 IHJVHLSXMQLYHT-UHFFFAOYSA-N 427.512 1.802 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1286709384 RSVUTMLPNAIGQW-LJQANCHMSA-N 443.504 1.260 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286791859 FNIMZTNYJVUAKS-SFHVURJKSA-N 446.515 1.758 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(C(C)(C)C)no1 1288825714 KCAVBKBKFDATQL-SGTLLEGYSA-N 439.517 1.664 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1291278981 GBADZPLMMBSUDO-MRUHUIDDSA-N 445.545 1.371 30 10 IDEE CO[C@@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N(C(=O)OCc2ccccc2)C1 1295144005 GBTGTDMUVGYTFX-VQIMIIECSA-N 440.504 1.681 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1297957387 GTDLZVXJKOLPBK-UHFFFAOYSA-N 440.548 1.910 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1300283348 MBHHNRNGILDJJP-CABCVRRESA-N 436.559 1.241 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1300308089 MAQMXNFKRUXLDR-HKUYNNGSSA-N 438.557 1.931 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](C(F)F)N1CCOCC1 1300319784 CZRSTQVRSGUDGF-AEFFLSMTSA-N 435.523 1.954 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OC 1300527170 CUJAFGABQNCYSQ-UHFFFAOYSA-N 439.479 1.717 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1300671910 RJIGGVXJZDDYBT-GOSISDBHSA-N 434.518 1.311 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1300681512 RYSQYJVHWOYHER-HXUWFJFHSA-N 441.555 1.614 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1301510369 VVAKDRLGLZRFCM-UHFFFAOYSA-N 442.520 1.746 30 10 IDEE CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1301912047 NKOMAUKBDBJZPZ-UXHICEINSA-N 435.532 1.784 30 10 IDEE CC(=O)NCCCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301932939 WUYARNOFUMKZJD-MRXNPFEDSA-N 425.541 1.380 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1302286371 GQENCQNTKJEEQN-UVFQYZLESA-N 432.504 1.839 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)CC1 1302925224 ZAYUZEBWSCMSNT-UHFFFAOYSA-N 431.489 1.630 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1309086147 VPMDLFJEYSSEHQ-UHFFFAOYSA-N 430.511 1.239 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1314818786 UHAFMFHHJFCCQJ-KDDVOAFDSA-N 430.509 1.519 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2cnn(C)c2)CC1 1315052747 AEKKCYMWHKQXKK-UHFFFAOYSA-N 448.531 1.982 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1316226372 ZQINKHHBVJYVNY-MSOLQXFVSA-N 435.525 1.113 30 10 IDEE COCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1316265403 TZXMIEJFMIKYPB-LJQANCHMSA-N 437.497 1.454 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O 1348059213 RQJSOQCRGMCBJZ-UHFFFAOYSA-N 448.501 1.167 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1358889592 DMFNEHBCJDVWDL-QFBILLFUSA-N 447.561 1.434 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc2C1 1358949162 UKRQSZORASPDEA-HXUWFJFHSA-N 427.574 1.698 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1358964892 JQLJKYGOCJPFRU-FXAWDEMLSA-N 449.602 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)nc2)CC1 1359043961 PEIMSGHMOPRAMK-UHFFFAOYSA-N 445.531 1.210 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359202633 YONZGRDKWXBLFY-IHPCNDPISA-N 443.596 1.574 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1)C1CC1 1359246881 NUSMVJXPXWPWID-OAHLLOKOSA-N 442.549 1.672 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)OC)C1 1359296211 ARCMMMFFTVDEEL-HNNXBMFYSA-N 427.461 1.365 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359303521 RHUILMONKRFXGB-KRWDZBQOSA-N 435.532 1.640 30 10 IDEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)o1 1361251298 MJBYDQGKNNXUTM-OAQYLSRUSA-N 441.513 1.904 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 1441052643 XKSNNMYUZVFBCI-INIZCTEOSA-N 433.287 1.980 30 10 IDEE COCCO[C@H]1C[C@@H](CO)CN(C(=O)COc2cccc(Br)c2C#N)C1 1448760414 SUMHLOSRDKDSQB-KGLIPLIRSA-N 427.295 1.572 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3csc(C)n3)CC2)c1 1460047731 CJSPZCTWIJCJNM-UHFFFAOYSA-N 447.542 1.087 30 10 IDEE CC(=O)NCC(=O)N1CCCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 1460599347 CKKOYBURLMFKDN-IBGZPJMESA-N 427.549 1.609 30 10 IDEE C=CCN(C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CCS(=O)(=O)C1 1464401808 RFXJFVOTUOHZTH-IFXJQAMLSA-N 427.523 1.344 30 10 IDEE C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1 1468083007 FFYPRFYYIPYWHU-HOTGVXAUSA-N 428.514 1.089 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1471144031 JLINEURFJDCTGT-HXUWFJFHSA-N 433.578 1.719 30 10 IDEE CN1/C(=C/C(=O)Cn2cnc3ccc(S(N)(=O)=O)cc3c2=O)C(C)(C)c2ccccc21 1473087762 JZILTPJWDROEIX-KEBDBYFISA-N 438.509 1.925 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCC2(CC1)CC(=O)C=CO2 1473841619 LYYGRLJFTBOEEJ-UHFFFAOYSA-N 447.557 1.554 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCO2 1497085477 FQQXZNKSIKSLQZ-INIZCTEOSA-N 426.477 1.702 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(O)CCO[C@H]2C)c1 1507550230 VKXDVYWQNFIAPO-QMHKHESXSA-N 447.499 1.331 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507589799 ZZPZJGBFWMOLJR-ROUUACIJSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@H](C)C1 1507659262 PRQDMPZILICPHD-WOZUAGRISA-N 429.565 1.574 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507670213 ZSLLQRLCACVAFQ-GOTSBHOMSA-N 433.556 1.860 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN(C(C)=O)C1 1507695397 XPXLFJZPHJPRFU-QGZVFWFLSA-N 428.562 1.988 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1507715531 CKHOIHJOUCAPMY-UHFFFAOYSA-N 449.559 1.008 30 10 IDEE 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1.651 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1722427963 ADPZWICCUYKCLI-CQSZACIVSA-N 439.442 1.789 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1722441172 HZOJYICXXSJGMG-QHCPKHFHSA-N 438.532 1.099 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1722441794 MOEJWWFWDTZYDO-JOCHJYFZSA-N 438.576 1.961 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722455612 MCGNVHOKDBNOPQ-UHFFFAOYSA-N 446.540 1.770 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1722458506 LWFJCFGBIPRKAP-SJLPKXTDSA-N 446.621 1.973 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1722493573 IUNQDSCHTVCCDM-OALUTQOASA-N 448.612 1.945 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722505363 KBSWEMLBOJUACX-HBFSDRIKSA-N 426.521 1.663 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(O)(CC)CC)CC1 1722566420 RGCXODUKZIQMNS-MRXNPFEDSA-N 427.571 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@H](C)C(=O)NC 1722688691 IXNDMUBXRFRPBJ-ZDUSSCGKSA-N 449.353 1.828 30 10 IDEE CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)(C)C 1729879821 HZMPEGMXQRCCTH-DLBZAZTESA-N 439.520 1.825 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1740580592 CRRBFPGREJALTA-CABCVRRESA-N 438.579 1.645 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740623512 VQKFMLRIKDDOAN-MRXNPFEDSA-N 441.517 1.209 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1740627473 QREAEZALONJJOG-PMPSAXMXSA-N 444.504 1.571 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1740641258 IDWAGKWUNSHAOF-LJQANCHMSA-N 441.557 1.374 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)C(C)(C)C)CC1 1740690423 UKRPMIJZMWRTLA-UHFFFAOYSA-N 431.585 1.114 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCCN2CCOCC2)CC1 1740701819 DAHSXWZUSYYXIY-IBGZPJMESA-N 430.597 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC=CCC2)CC1 1740702070 HSWOVHIHPYROEN-DLBZAZTESA-N 448.593 1.210 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740722929 MTTBEARZOQXFLO-INIZCTEOSA-N 439.582 1.911 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1740725996 XCNFMNPPWUKPPP-JLTOFOAXSA-N 433.534 1.643 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740953847 SMBCKBHSHYEZIB-ZHRRBRCNSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(F)(F)F)CC1 1740960013 IYIFJQIQWLGBIJ-GFCCVEGCSA-N 435.472 1.261 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1740976709 ZKEXRRKKEBZEBL-LJQANCHMSA-N 444.561 1.926 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1742660846 BOMOZSMVNYJRRM-DYESRHJHSA-N 429.525 1.446 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1745778873 DVUWQSQCEAHNNW-UHFFFAOYSA-N 437.504 1.812 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1748641828 KRQSOROIOMFVAE-YUXAGFNASA-N 449.621 1.596 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1748655999 JPHCABVSTVOVFL-NQIIRXRSSA-N 449.563 1.736 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1748804214 FIDCXTKPTOSHSN-NQIIRXRSSA-N 436.578 1.913 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1748928901 ARIQOUJOAVZNTM-SFHVURJKSA-N 433.534 1.150 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749034009 UILTWUSJVJKCJL-DYESRHJHSA-N 429.521 1.833 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749131822 WCHGVHMEVMGYJK-LPHOPBHVSA-N 425.599 1.976 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749256179 WWDBLRCSTWWGEC-GDBMZVCRSA-N 435.937 1.816 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1749591724 XXEGWIIOKPHIIK-GOSISDBHSA-N 435.550 1.849 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCC2)C1 1749694191 PMVMJPRQJRWOBO-GOSISDBHSA-N 430.553 1.698 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749733787 CGBRLPGOEIUOQW-UHFFFAOYSA-N 433.534 1.109 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1750846308 AORLWTOQCVPZPH-XXBNENTESA-N 443.596 1.887 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1n[nH]c(C)n1 1760111356 MIKQOFIQWZAAMM-CYBMUJFWSA-N 427.538 1.365 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1760116229 GKYWPODTBGDMOL-HIFRSBDPSA-N 438.941 1.166 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1760203228 YILSWCJKKANHRZ-RBUKOAKNSA-N 443.548 1.881 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1760214546 SYMWQPFXLRBJHR-UHFFFAOYSA-N 436.541 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nccs2)CC1 1760268543 LMKGSHOOTOBMKU-INIZCTEOSA-N 441.561 1.284 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760280125 CUKCGQRQOIZRQR-IPMKNSEASA-N 449.621 1.906 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760355519 NFJNTKBGKNAMKW-UHFFFAOYSA-N 442.568 1.016 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760452175 GRLFJWMZKQZVBC-HXUWFJFHSA-N 440.548 1.684 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 1760516631 RTGOLQTVUWEPAC-SNVBAGLBSA-N 437.353 1.090 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760523541 BGDDOKYLSKTOGJ-SJORKVTESA-N 448.568 1.825 30 10 IDEE CC(C)(C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760725866 XKEDCOYBHZRHIO-HNENSFHCSA-N 443.552 1.584 30 10 IDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCOCCS(C)(=O)=O 1763070986 RLUGVXYXEWKULB-UHFFFAOYSA-N 446.577 1.490 30 10 IDEE CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766523078 LRSDFBZAOZGECC-SFHVURJKSA-N 438.536 1.639 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@H]1O 1767927921 CFPIRTODPOMFLD-SJLPKXTDSA-N 443.504 1.250 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1767934517 GNUMAEUJDLHNRE-ZHRRBRCNSA-N 444.511 1.692 30 10 IDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1768881395 XPQZWHCATRYWEN-UHFFFAOYSA-N 426.521 1.664 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1769267651 FJSVMXBMVGPNRS-UHFFFAOYSA-N 434.508 1.246 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1771135840 HALAVQUHAGVVKV-UHFFFAOYSA-N 437.548 1.631 30 10 IDEE CN(C(=O)c1nnn(-c2ccccc2)c1C(F)(F)F)C1CN(c2nccnc2C#N)C1 1849427115 QGWZSDHILLMRON-UHFFFAOYSA-N 428.378 1.909 30 10 IDEE CN1C(=O)N(C)[C@]2(CCN(C(=O)C3CCN(c4c(C#N)cnc5ccccc45)CC3)C2)C1=O 1850489424 LZPHRTOTTGQGFL-DEOSSOPVSA-N 446.511 1.818 30 10 IDEE N#Cc1cccnc1C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1852772127 HQTPIFIODJMSIM-UHFFFAOYSA-N 440.525 1.994 30 10 IDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H](N)Cc3ccc(O)cc3)sc2c1 1866018241 REYRKKDYNWVKQF-OAHLLOKOSA-N 432.527 1.975 30 10 IDEE CC(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)CC1=O 1870150878 JGNMAKCVNQDJKC-INIZCTEOSA-N 436.520 1.086 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN1CC(O)C1 1870706369 YRVYUEVMQFMWTO-UHFFFAOYSA-N 441.484 1.405 30 10 IDEE COc1ccc(OC)c(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890308051 LPTNWTCJKNRADP-UHFFFAOYSA-N 443.588 1.895 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2010025531 BHSYZCRHDIHIMJ-SPLOXXLWSA-N 439.509 1.874 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141670099 KQSYBMIBXMRGMD-GDBMZVCRSA-N 447.341 1.937 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255615365 KEPONKGKCWZTGB-YUELXQCFSA-N 432.330 1.837 30 10 IDEE CCc1nn(C)c(C(=O)NOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626303 DRHNUKKHIBWZOE-UHFFFAOYSA-N 438.334 1.468 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CN1C(=O)OC(C)(C)C 2255649186 QWGDSCWHIGAQSM-UONOGXRCSA-N 434.346 1.847 30 10 IDEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2255679781 NUTLWZGQERMEHN-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCC(=O)O)Cc1ccccc1 2256906302 PGXJGPAVUCWQGS-UHFFFAOYSA-N 449.338 1.385 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2272651175 SPVPAYHCRVSMTD-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2315533240 LRUKMOVQJRMMBC-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)O 2337287547 MJKIIOPTUOGQAX-INIZCTEOSA-N 442.325 1.034 30 10 IDEE Cn1nnnc1SCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1 19289304 FMQOUXIXNSBZTF-UHFFFAOYSA-N 430.497 1.713 30 10 IDEE C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O 26251178 BGSOJVFOEQLVMH-MKIDGPAKSA-N 442.445 1.899 30 10 IDEE in-vitro O=C(C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39843480 MVPBHLMBRPRDIG-AWEZNQCLSA-N 438.425 1.867 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cn1 59830079 ZSJOHVXKSSIDQL-UFWORHAWSA-N 442.465 1.459 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccncc1 102746713 PMHMPCSBFRDXHR-HQMFNGAOSA-N 425.489 1.566 30 10 IDEE CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2)c(=O)n1CC(=O)N1CCCC[C@@H]1C 254416390 YRPGJWIBXGTEJV-INIZCTEOSA-N 439.537 1.355 30 10 IDEE C[C@@H](CCN1CCN(c2ncccc2C#N)CC1)N1CCN(c2ncccc2C#N)CC1 431598151 XGDIRDOATQRFCH-FQEVSTJZSA-N 430.560 1.943 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440390030 YBZYNXVBOUUEHG-INIZCTEOSA-N 447.476 1.090 30 10 IDEE C[C@H]1[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1 466797514 WMNBJTQIPULWAC-JXFKEZNVSA-N 425.510 1.779 30 10 IDEE CC(C)(C)C(=O)Cn1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)nn1 468915358 HCZCKISOCYCBPO-INIZCTEOSA-N 426.502 1.919 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1-c1ccccc1C#N 471214164 ZDPDYQVHOKTVDM-UHFFFAOYSA-N 432.505 1.955 30 10 IDEE CS(=O)(=O)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486482675 BFPGFQYXQYDXDY-HXUWFJFHSA-N 440.525 1.703 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 497519903 FHMUQEBESVAKJT-CQSZACIVSA-N 431.470 1.691 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1c1ccccc1 500636137 BLDFSYNVMVLVEX-VQTJNVASSA-N 441.509 1.907 30 10 IDEE CCn1c(CCC(=O)N[C@H](C#N)C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 505987818 VFXYDSPERUZADL-GOSISDBHSA-N 445.545 1.428 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C)(C#N)CC3)CC2)cc1 506021769 ICMPLMGWQUMQCZ-UHFFFAOYSA-N 434.562 1.544 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 509013443 OZBJFODUDHBKKA-GOSISDBHSA-N 437.548 1.089 30 10 IDEE COCCCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 524033762 PMKDPUYYDCQZAS-UHFFFAOYSA-N 449.577 1.075 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)cc1 530670579 XWCCRRNTQYZKNG-UHFFFAOYSA-N 441.509 1.811 30 10 IDEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cc2F)c1 541668453 PSCPXLQODVLJJF-LJQANCHMSA-N 438.459 1.758 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 543978754 CGCOBBFRPYNPMP-NRFANRHFSA-N 449.559 1.700 30 10 IDEE C=CC[C@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 545986832 FGPDKHLAPPVBSN-LJQANCHMSA-N 431.514 1.790 30 10 IDEE C=CCn1c(Cc2noc(-c3ccc(CNC(C)=O)s3)n2)nnc1N1CCOCC1 547066911 WICGFOWOQRYDPJ-UHFFFAOYSA-N 429.506 1.639 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)CC3)CC1 557086975 GQKSKJNMURJJGO-RTWAWAEBSA-N 448.571 1.722 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c(C)c1OCC(=O)O 582396567 FIJGPEIQDIXIAE-UHFFFAOYSA-N 430.486 1.544 30 10 IDEE CCOc1cc(NC2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)ncn1 586859750 HNQDLUAMKAHBEL-UHFFFAOYSA-N 426.452 1.605 30 10 IDEE COCCN(CC(=O)N1CCC(c2ccccc2)=N1)S(=O)(=O)c1ccc(C#N)cc1 603935819 RBFJEILKEOWCSR-UHFFFAOYSA-N 426.498 1.832 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)c1 609739147 CBVYIGRAIKOTGF-QGZVFWFLSA-N 443.544 1.812 30 10 IDEE CCOc1ccc(C(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1OCC 619104131 OESVAXWILZGMMF-UHFFFAOYSA-N 437.500 1.829 30 10 IDEE CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732705707 DWLZWLKVBCGUNN-GOSISDBHSA-N 444.967 1.619 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 742174712 IFAHGJZLPYFIFV-SFHVURJKSA-N 433.921 1.208 30 10 IDEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746740332 FBNIUFFBXSWKJP-MGPUTAFESA-N 427.501 1.818 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 747314166 UPUZFXXLLLZKKG-AWEZNQCLSA-N 441.469 1.538 30 10 IDEE COC(=O)c1sc(S(=O)(=O)NC(=O)c2ccc(C#N)cc2C)c(C(=O)OC)c1C 748826684 BNALKQUDKQBXJY-UHFFFAOYSA-N 436.467 1.929 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 753752513 KQZHXSYURZCDGA-WFASDCNBSA-N 442.538 1.175 30 10 IDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(Cl)c(F)c1 755206887 AYIGIICJKUTVTD-UKYXWTPTSA-N 434.855 1.784 30 10 IDEE O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764749306 DBIQZKUTRGFBHT-YGBUUZGLSA-N 439.255 1.863 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768664698 KMDPDZKKKVYCRU-SSDOTTSWSA-N 446.304 1.470 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 788819405 JFTCIXULRDXAKR-UHFFFAOYSA-N 444.557 1.980 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNc2nccc(N3CCOCC3)n2)C1 794519548 CBACXJIYPFINAP-MRXNPFEDSA-N 447.540 1.474 30 10 IDEE C[C@@H]1CC[C@@H]1N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 795183870 MRQWKFNZTSOZJS-FHLIZLRMSA-N 445.589 1.974 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc4nsnc34)cc2C1=O 797969093 OSXNTVKXJHJKDM-UHFFFAOYSA-N 428.451 1.592 30 10 IDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)c1 803196909 OHAQJSDORWTPMI-MRXNPFEDSA-N 442.570 1.840 30 10 IDEE CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 810381970 CNDMQYMGACFMLI-SKOAFDGASA-N 432.521 1.912 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1 812526153 DELQFZZQSAJZDQ-OXJNMPFZSA-N 431.445 1.542 30 10 IDEE COc1ccc2cc(C=c3sc(=C(C#N)C#N)n(CCN4CCOCC4)c3=O)ccc2c1 917356383 KMVDICWXLFRJSU-UHFFFAOYSA-N 446.532 1.430 30 10 IDEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2O)n1N 1084583652 NUPGINMKBXQOQW-UHFFFAOYSA-N 429.462 1.589 30 10 IDEE CO[C@@H]1CCn2cc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)nc2C1 1125188996 MIKKSUMJSKCXBS-VKWHMPGMSA-N 431.518 1.909 30 10 IDEE CCN(CC)C(=O)CN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1136027074 SMRABEGPFNTUDW-GOSISDBHSA-N 437.585 1.976 30 10 IDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C1CCOCC1 1148195553 XFQROQBGYXTKIM-OALUTQOASA-N 436.530 1.261 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]2C[C@@H]21 1179740193 RKMXWNDGPQJLGT-SJORKVTESA-N 434.518 1.712 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@H](O)CC4(C#N)CCC4)C3)[C@@H]2C1 1197231039 TVZNDWBTLVWXFU-TVFCKZIOSA-N 434.537 1.946 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1286294324 CXNNCKFYZNWVAH-CVEARBPZSA-N 429.612 1.458 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CC(OCC)C1 1286364826 KWOXFVKNJUAWGJ-UHFFFAOYSA-N 430.505 1.970 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286388118 YLRUSRZIUIEZPZ-INIZCTEOSA-N 445.520 1.237 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1286395608 SBBWBISLCQPCRF-RDGPPVDQSA-N 438.594 1.860 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286395983 UUHZYPAAZRIHPE-UYAOXDASSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC(C)C 1286397164 MGUWZWPQLSWKTB-UHFFFAOYSA-N 426.908 1.459 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1286401910 VPUDQBQBPAYYMT-HSZRJFAPSA-N 431.500 1.632 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1286447838 NSXSVPVTCDPNMK-HNNXBMFYSA-N 439.582 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CCC)C2)CC1 1286490086 LCZAAJUSJIGJHI-SFHVURJKSA-N 438.580 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)c2ccco2)CC1 1286490898 WFOZEYREBDZJSW-UHFFFAOYSA-N 438.532 1.925 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286504886 RWCGDFIIHZEQMF-CVEARBPZSA-N 427.530 1.872 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286523107 VZEYJSSWKAHFOU-PRCFCKQXSA-N 438.507 1.705 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1286710609 BDLVZWIVYGZCEX-JKSUJKDBSA-N 435.554 1.243 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1286711404 KYJZXZNGRNXGFF-GOSISDBHSA-N 439.582 1.125 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286711796 POHQPSVGFBAQPH-LJQANCHMSA-N 448.568 1.339 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1286754049 LOLLKJUALULYLQ-JKSUJKDBSA-N 433.534 1.907 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccsc2)C1 1286800832 RMAMWLFVCSEIHG-ZBFHGGJFSA-N 425.580 1.974 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286821118 ARIICVUTKFFVOI-AWEZNQCLSA-N 441.579 1.286 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286823250 SHAMFISBLUFXIL-LJQANCHMSA-N 437.591 1.494 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300438663 REPRMXILLPCYLK-CYBMUJFWSA-N 435.326 1.600 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300495229 FWDJBBSZELUZIS-HZPDHXFCSA-N 433.534 1.316 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1300556652 KWELTBSQRSQSHV-QGZVFWFLSA-N 439.545 1.242 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1300671090 BSRJKPKZBYXYTF-LJQANCHMSA-N 425.489 1.403 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1300710880 ORJNJPROQSVPQL-MHTWAQMVSA-N 431.581 1.818 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1300768751 XVFDOJOKYRFFFD-KRWDZBQOSA-N 433.578 1.541 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1300777564 YQAZGMZLPKYAIT-GOSISDBHSA-N 445.545 1.183 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(F)c(F)cc2I)c(=O)nc1O 1301213907 VFDWSMRFPHHVNC-UHFFFAOYSA-N 446.151 1.133 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1301457806 BEIHDRINLHCJOH-DNVCBOLYSA-N 427.571 1.438 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1301966018 RBWBIEITPYOPRH-CQSZACIVSA-N 427.509 1.908 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C3CC3)c(C#N)c2)c1 1303068480 ZOMQNKHAYFWLSI-UHFFFAOYSA-N 433.511 1.756 30 10 IDEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)c1 1304504093 RBKTYHOONHOBMJ-UHFFFAOYSA-N 432.550 1.845 30 10 IDEE COC[C@H](Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1315809442 UYJVDIAFNRZPRD-XQBPLPMBSA-N 448.568 1.157 30 10 IDEE NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)C1 1318818477 FCMUBTOKLQUGNN-JDAKFOBDSA-N 425.489 1.239 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCSC2)CC1 1359165452 PBIYMUAVSILZRH-HOTGVXAUSA-N 427.596 1.521 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](COC(C)C)C1 1359331806 IKOAIMJVEJOWNI-ZWKOTPCHSA-N 442.582 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359332911 KEMAUJBFJOLHTC-SFHVURJKSA-N 425.599 1.378 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCNC(=O)c1cccc(O)c1 1360162811 UAJQUNSJQJJFKS-HNNXBMFYSA-N 427.509 1.680 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(=O)OC 1438398927 FDVBVRIGICBGAL-IBGZPJMESA-N 436.530 1.914 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 1458557963 PXOTXJLGURMCSX-UHFFFAOYSA-N 427.246 1.453 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCc2cc(C#N)ccc21 1459747530 HHLQMNREVOEEDV-SFHVURJKSA-N 432.523 1.794 30 10 IDEE COc1cc2c(cc1OC)[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)CCCC2 1471193655 RGRFGFKUWTXDNJ-INIZCTEOSA-N 427.461 1.605 30 10 IDEE COC[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCCN1C(=O)OC(C)(C)C 1472371217 OZQSTEUBCXNNHB-NRFANRHFSA-N 447.492 1.010 30 10 IDEE Cn1c(N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 1472904429 NHWQJCCYBPOKHF-OAHLLOKOSA-N 431.537 1.867 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1479061060 GHHUFAJEVGPBGU-HNNXBMFYSA-N 438.506 1.258 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)C(=O)NC)C1 1502957621 HPXFPLOSJNCHPS-MFPRGYPFSA-N 426.521 1.565 30 10 IDEE COCc1nocc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1504660519 TWJWDKLXWMVJNC-CYBMUJFWSA-N 437.526 1.201 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H](C)O1 1504734990 JORXSOIZFVDQAK-LSTHTHJFSA-N 443.504 1.384 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1504887698 DEPRXGMENTWSMS-CVEARBPZSA-N 440.570 1.024 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN(CC)S(C)(=O)=O 1507536691 GBNRTQBTYKVHDI-KRWDZBQOSA-N 443.577 1.646 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOc2ccccc21 1507617599 WQPSJZKKXDQHEE-QFBILLFUSA-N 445.545 1.247 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(N(C)C)CCSC2)CC1 1507724527 RQFRNDDRCIFYAF-JOCHJYFZSA-N 425.606 1.456 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1507731470 JKARMAOPYUCPJZ-DYESRHJHSA-N 449.477 1.987 30 10 IDEE C=C(C)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OCC)CCOC1 1507836594 RNBUTVDOBFYTQY-JOCHJYFZSA-N 440.552 1.747 30 10 IDEE C=CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1508167669 OMJXZSNVCCEPIO-QGZVFWFLSA-N 435.525 1.867 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)CCCOC 1513918550 RTMMZYIJJQGHLX-UHFFFAOYSA-N 429.573 1.049 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519525817 WVOYCOOHYONGQY-UHFFFAOYSA-N 439.501 1.310 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCOC4(CCOCC4)C3)C2=O)cc1 1529476845 MDJZWVVDNSLXMW-AEFFLSMTSA-N 426.473 1.608 30 10 IDEE C#CCCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539139875 JCKNRHCXBJDXOE-REWPJTCUSA-N 431.581 1.891 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1539179424 ONOIYBYAQHUCKG-AWEZNQCLSA-N 436.921 1.723 30 10 IDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540029377 QFVNWRHHUMDAKG-QGZVFWFLSA-N 427.465 1.660 30 10 IDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1540051875 RKHVZIUTTKPTDP-UHFFFAOYSA-N 427.534 1.993 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCNS(C)(=O)=O 1540059715 VZBUYVIKDWTATN-UHFFFAOYSA-N 444.355 1.888 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1540365572 PHZNABBKODTAPI-UHFFFAOYSA-N 442.522 1.182 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1 1540861672 BGFBKABOAQCCCR-UHFFFAOYSA-N 439.520 1.151 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1540872820 BGPKGDBQICZBPO-NRFANRHFSA-N 441.561 1.718 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1540898434 KCKIBUBMXUFIIK-MRXNPFEDSA-N 427.571 1.928 30 10 IDEE Cn1cc([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C2)cn1 1554334670 NKXNRNQGBJJNEL-GOSISDBHSA-N 439.545 1.979 30 10 IDEE COC(=O)C1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1554539670 ZDDHXNHBYYFFRY-HNENSFHCSA-N 430.509 1.392 30 10 IDEE C[C@H](CC(=O)NCC(F)(F)C1(O)CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1559044379 JSHPFLAWGSIHOZ-CYBMUJFWSA-N 429.489 1.950 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587975100 NKRMBBFFRMEXEG-MRXNPFEDSA-N 440.529 1.951 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 1588199042 GRZSXTYEKBGHSA-UHFFFAOYSA-N 432.315 1.133 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1 1588250196 AINGFLGTCJMNND-DLBZAZTESA-N 427.530 1.272 30 10 IDEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588445025 DHAQAMNQFARILI-NRFANRHFSA-N 432.546 1.483 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCS(=O)(=O)C1 1588482291 PPUJDMOHWFSTHF-KRWDZBQOSA-N 440.504 1.949 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2noc(CC)n2)CC1 1588954956 NBNHRRUGGGYZQD-UHFFFAOYSA-N 448.531 1.418 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1588976408 XEMOGWULGIRQCV-QZTJIDSGSA-N 435.594 1.947 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1589116053 CCSFXTUKFSNTDX-INIZCTEOSA-N 429.546 1.947 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1593747425 VZEMTVCJTGTVHN-INIZCTEOSA-N 434.566 1.675 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1595496698 DSZUQALLYOLIRS-GASCZTMLSA-N 433.534 1.264 30 10 IDEE COC(=O)CN(C)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1596302815 CTYANHMXBJGLJS-IBGZPJMESA-N 430.505 1.614 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1596850479 OWEJFIBMFWOAFA-NRVIRDBHSA-N 447.584 1.711 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1611286081 CYUSNSHLPDUANQ-DOTOQJQBSA-N 441.511 1.736 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1611313582 DLXVVZUTIALMKM-MRXNPFEDSA-N 439.545 1.892 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1611331586 KHNUAUNBZUYVAK-KRWDZBQOSA-N 425.537 1.629 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C)c(C#N)c3)CC2)cc1 1616824590 RCNRUARXOYCZMB-UHFFFAOYSA-N 442.541 1.757 30 10 IDEE Cn1cnnc1CC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1620595521 CCOPZSFADUVMSB-NRFANRHFSA-N 439.539 1.618 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1622709916 JMONXIKCYYLSAY-KRWDZBQOSA-N 441.937 1.911 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 1623867863 WERFLQYEXNFHBR-YADHBBJMSA-N 426.561 1.793 30 10 IDEE COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(C(=O)NC2CC2)c1 1627520687 CPJLIUSBEOPQNA-UHFFFAOYSA-N 428.470 1.376 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CC1 1630761818 CUDOIDLNVVUTLU-UHFFFAOYSA-N 443.529 1.887 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H](O)CN1CCCC1=O 1635997916 OKZHIYYQJGZMIU-FXAWDEMLSA-N 442.516 1.492 30 10 IDEE N#Cc1cn(CCC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c(=O)nc1O 1637367062 HWEMOZICNIDVME-AWEZNQCLSA-N 436.255 1.439 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1638482843 RBRWUDBLCIXNAO-MSOLQXFVSA-N 434.541 1.937 30 10 IDEE C#CC[C@]1(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)CCCN1C(=O)OC(C)(C)C 1643794222 XTERKTJCMOHHNG-JOCHJYFZSA-N 439.520 1.814 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 1644282216 YICJTZSHWYUWEC-UHFFFAOYSA-N 426.498 1.164 30 10 IDEE N#Cc1cn(CCNC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c(=O)nc1O 1646146991 FKWOUPQKQFSHBO-UHFFFAOYSA-N 443.822 1.693 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C2 1648576756 CZLOOOUEMATVGN-YOEHRIQHSA-N 441.561 1.892 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1660647844 VBNCIMYBAWJXRI-HOCLYGCPSA-N 436.477 1.773 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1665456943 CIZLJYPUWKGZGZ-LBPRGKRZSA-N 441.351 1.015 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)N1CCOCC1 1673887401 LIDALORLPQIQKD-IXDOHACOSA-N 437.541 1.318 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccc(C(F)(F)F)cc1 1683768001 PKKPZDXTOKWTSX-YJBOKZPZSA-N 437.466 1.992 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1689991739 BSTUGTVGNVUJRH-MRXNPFEDSA-N 437.591 1.755 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1690043494 CXFYEFWGTVTOHB-UHFFFAOYSA-N 440.511 1.920 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690229620 ZVDJUOGLZVIIMN-LBPRGKRZSA-N 439.314 1.211 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)C1 1690686434 NYVBWACWFSLHND-ZBFHGGJFSA-N 449.533 1.447 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)C1 1690696392 BCUJZRJVKGNJPH-JKSUJKDBSA-N 437.566 1.368 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1690706822 KUCWLWPRKLXZJG-DLBZAZTESA-N 425.599 1.930 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)N(C)C)C1 1690710132 OYPPQZRFOUKTID-INIZCTEOSA-N 425.580 1.603 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690719059 GVBGLSCZSZTQQO-HXUWFJFHSA-N 449.964 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1690729498 OCIOELAYRNOPNC-UHFFFAOYSA-N 433.534 1.011 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1C1OCCO1 1692545960 WLKFLZGSGDOWKK-MRXNPFEDSA-N 426.477 1.239 30 10 IDEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1694545261 HYXZTAYPTWACNC-FCHUYYIVSA-N 428.512 1.928 30 10 IDEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)cn1 1695781578 FBKISNHIZOAKAP-UHFFFAOYSA-N 428.522 1.219 30 10 IDEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1696816953 XCXZHHLZVKIFHN-SJLPKXTDSA-N 436.582 1.173 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1697048692 JLSNMYIKWZXYCI-UHFFFAOYSA-N 446.533 1.145 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1705550163 SWQWSUSDLHITBP-DLBZAZTESA-N 436.516 1.674 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705560949 ORUIUQCKPFSSJJ-ZACQAIPSSA-N 442.607 1.386 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1705565194 TUXSEOJGJSPFDV-FLPIEVNYSA-N 444.557 1.502 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705567279 VITXSHRQGDFVHJ-MANSERQUSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1705573925 QPUNOMCGJPVLFG-QGZVFWFLSA-N 428.562 1.071 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1705612127 ADOBGQBNYLAJSS-MSOLQXFVSA-N 440.614 1.047 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCN2CCCO)CC1 1705640806 GVOANZNGGKOHKN-HSZRJFAPSA-N 436.604 1.779 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(F)cc2C1 1705652041 OHSORXDCIHXXIO-AWEZNQCLSA-N 437.566 1.957 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1705713143 UQGPUJDQJRYZLV-OAQYLSRUSA-N 433.578 1.818 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705938825 KITFFXLGVLLGHI-HZPDHXFCSA-N 446.595 1.134 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1709942693 BJNTVRRCDSXIPM-IBGZPJMESA-N 439.545 1.920 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1711288467 DQNOKRDBVVEGNC-GOSISDBHSA-N 426.521 1.831 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)C1 1712876445 XPUJHJRFTNASLV-IBGZPJMESA-N 433.875 1.718 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1722292572 JTEOXCQCPHAFIY-HNNXBMFYSA-N 443.511 1.705 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nnc(C)s1 1722381644 ADSYUZRFPIGXFN-UHFFFAOYSA-N 447.572 1.928 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722383324 TURACENNBFDITH-UHFFFAOYSA-N 448.552 1.635 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1722448220 WICYJZSEJAUQJA-QHCPKHFHSA-N 426.565 1.453 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)C1CCCCC1 1722690507 JOCPWPGODDUBCR-CABCVRRESA-N 426.587 1.596 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1723777511 FQFZDWUXNQSWET-KUHUBIRLSA-N 437.497 1.284 30 10 IDEE C[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1726493702 CAVAAQYPYYQURP-YUMLTWSLSA-N 441.536 1.665 30 10 IDEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727625198 HLFWIRIZAUZHRT-XJUMHSELSA-N 447.499 1.816 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)c1 1730995655 POXWMMWPDCPNEK-AWEZNQCLSA-N 441.460 1.359 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCOCC2)C1 1731009971 GOABNAHEGJVCAP-KRWDZBQOSA-N 430.534 1.325 30 10 IDEE C#CCCCn1c(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nnc1C(C)(C)C 1740597496 UQQVUIXFIVMKGG-UHFFFAOYSA-N 433.582 1.542 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCCO 1740633162 XWLYQHYZUYJMEM-UHFFFAOYSA-N 428.562 1.782 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCn2nc(C)nc2C1 1740736267 HNFCKYPTBICDGL-UHFFFAOYSA-N 444.297 1.754 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1C 1742284667 SQTPDCXNIIHMAG-ZCNNSNEGSA-N 427.505 1.743 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCCS1(=O)=O 1748784887 UIWKXVOINCZVKE-UHFFFAOYSA-N 425.518 1.236 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1748868463 XMIRHSQJSWFOFU-QHCPKHFHSA-N 430.549 1.836 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCOCC1 1748959808 ZWXVBBSDDJBAHC-UHFFFAOYSA-N 436.516 1.758 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCS(C)(=O)=O)CC1 1748980003 VXXXVQHJFWIIEC-INIZCTEOSA-N 447.630 1.931 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C(=O)NC)CC1 1748994752 PTQSETXEHHQDON-UHFFFAOYSA-N 433.560 1.809 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1749225257 COGQLBLCYCYYEG-MRXNPFEDSA-N 447.609 1.825 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749414512 FNYLHUFAWUITOJ-INIZCTEOSA-N 430.534 1.529 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(SC)c(OC)c1 1749666548 MUHCKVQIJVDZMO-HNNXBMFYSA-N 444.561 1.898 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1749682723 ZDTWEQPPNINXFW-NVXWUHKLSA-N 441.598 1.370 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCO[C@H]2C(C)C)C1 1749697779 NJSHCTRJIJQPDJ-MLHJIOFPSA-N 441.598 1.731 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C)C(=O)C1 1760146303 IYQVJZADINOYMZ-UHFFFAOYSA-N 429.550 1.238 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760156217 ZKVDHAULIPIJFY-SFHVURJKSA-N 426.546 1.943 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(F)c1 1760175427 JPHORGGEDJSRRP-GOSISDBHSA-N 435.525 1.452 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1760181791 BQHKRTSAMIVCEK-FUHWJXTLSA-N 430.578 1.928 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1760220312 ZCIGXYUJDBPBBU-QFBILLFUSA-N 448.483 1.242 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)on2)CC1 1760272911 DQWRAKHJWGVQFW-HKUYNNGSSA-N 442.520 1.313 30 10 IDEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760424532 KXNDBDMNPPFQHQ-UHFFFAOYSA-N 435.536 1.945 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](OC)C1 1760515907 SMPCRWDSQBMVBA-OAHLLOKOSA-N 447.565 1.074 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](COC)C1 1760516309 LESOEESQABFQDA-CRAIPNDOSA-N 433.484 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1760518634 CMPONVOBDIFLOT-HKARXFIJSA-N 436.516 1.892 30 10 IDEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760562756 UWASVQVZQGOOCQ-OAHLLOKOSA-N 442.545 1.020 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1)N1CCOCC1 1761395720 GUIDILYHWDFREI-IEBWSBKVSA-N 437.548 1.629 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(=O)N2)C1 1761542188 DTYCFGYMRDYEAX-IERDGZPVSA-N 442.545 1.757 30 10 IDEE CCOC(=O)N(C)C1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1765687165 XPSSKNNKZLMLNL-ISLYRVAYSA-N 431.497 1.170 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766375248 AJAHTEWAOFWDNX-UHFFFAOYSA-N 446.559 1.956 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1770316122 GZPHDGGKPNJXQK-RBUKOAKNSA-N 445.545 1.636 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1770357166 YILRSXCYYCFMQF-UHFFFAOYSA-N 443.577 1.431 30 10 IDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)c4ccc(F)cc4)C3)C2=O)cc1 1856456360 ORDYJPVOUAPVOK-LJQANCHMSA-N 427.457 1.597 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2=O)CC1=O 1857240700 UVJDQANDTOTLHJ-QGZVFWFLSA-N 433.530 1.033 30 10 IDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 1866627952 XZHSUZHAXHTQSX-IBGZPJMESA-N 442.497 1.218 30 10 IDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN(CCOC)CCOC 1870671201 QPVAHXTXJIXCIP-UHFFFAOYSA-N 426.510 1.088 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)CNC(=O)c3ccc(C)cc3)CC2)CC1 1891084566 CAQNWRSRRALQDF-UHFFFAOYSA-N 440.588 1.373 30 10 IDEE CN1C[C@H](C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2060633044 JBZQTTUAQWJKGI-OAHLLOKOSA-N 437.346 1.615 30 10 IDEE C[C@H]1CS(=O)(=O)CCN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116073971 YICPBHVDIKJJOL-NSHDSACASA-N 431.161 1.767 30 10 IDEE C[C@@H](c1cscc1C#CCO)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130034851 XQYNRCLQIWOBEP-AWEZNQCLSA-N 432.523 1.711 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@H]4CCS(=O)(=O)[C@H]4C3)c(Br)c2)OC1(C)C 2172780241 NPASFZJZCILWFT-RISCZKNCSA-N 443.172 1.767 30 10 IDEE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243662912 DBHLAMLEQWPZCH-JTQLQIEISA-N 444.388 1.454 30 10 IDEE C[C@H](C#N)CS(=O)(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2244736280 WEWXJABYBASJCG-CQSZACIVSA-N 446.570 1.922 30 10 IDEE Cn1ncc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255543369 IAYRGVYIWPFTNC-CQSZACIVSA-N 434.346 1.849 30 10 IDEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255544889 HLNVWJLPHYRDKY-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255624229 WQFZPWYDMNVPQG-UONOGXRCSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255626722 JQTPHTSFNFPTKO-UHFFFAOYSA-N 444.288 1.941 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818433 LAOOYURLKBSIOP-QGZVFWFLSA-N 429.326 1.369 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)n1 2255820028 KKJFGUWDTUNPEY-GJZGRUSLSA-N 434.346 1.895 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822726 OTYQNMKUNQPPMP-YEJXKQKISA-N 432.330 1.459 30 10 IDEE Cc1cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255832658 PIWCPOHCTNVWAL-UHFFFAOYSA-N 438.330 1.846 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255876623 DWGOUCUHVVIPLT-HOTGVXAUSA-N 433.314 1.403 30 10 IDEE C[C@@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2255932736 FKHFCRHQEHGYCS-INIZCTEOSA-N 449.382 1.851 30 10 IDEE Cn1nc(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267192547 SGZBLLFBUFNBCM-OFQRWUPVSA-N 446.357 1.847 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H](C)N1C(=O)OC(C)(C)C 2267597174 OSDBXGHAVXRCLC-OKILXGFUSA-N 449.361 1.584 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(Cc2ccccc2)C1 2267602312 KLVGBELGMKTZGN-SJLPKXTDSA-N 439.369 1.755 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)CC(O)C1 2268720737 ARVHTWQVZSUYFF-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)Nc1cccc(CC#N)c1)NC(=O)OCc1ccccc1 2286022592 TYVDYYWUDLLZHM-SFHVURJKSA-N 431.470 1.962 30 10 IDEE C=CCN1C(=O)NC(=O)C(=Cc2cc(Br)c(OCC(=O)O)c(OC)c2)C1=O 2293430013 WTOGCOKBIJZSSF-UHFFFAOYSA-N 439.218 1.569 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2298461258 MGPGKIIHZLNRIH-SRVKXCTJSA-N 436.343 1.453 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[nH]1 2315387837 MYPZDFCSROOQEM-DOTOQJQBSA-N 433.358 1.751 30 10 IDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccncc1 2325918000 MOQCUHGBWAOHAT-QGZVFWFLSA-N 435.513 1.649 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2337195003 SRQVRUKFRMTIJR-KDURUIRLSA-N 436.365 1.923 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2356120318 IXVUVNABDDAFLX-QLFBSQMISA-N 440.294 1.990 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1 238944427 WHUPLTLFJPBWHB-KBPBESRZSA-N 438.513 1.501 30 10 IDEE CN1CCN(C(=O)CC2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)CC1 303398473 RBSVFUMWNNLZBY-UHFFFAOYSA-N 449.559 1.559 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 429296143 RAEDFYXGRILZFF-KBPBESRZSA-N 435.912 1.500 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1 446630635 GIXHBQVNADWYQG-UHFFFAOYSA-N 449.558 1.982 30 10 IDEE CNC(=O)C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 483425633 YCIKNOVVIZFKHR-RBUKOAKNSA-N 425.558 1.924 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 501902821 AFHWNRRTMKMQIX-SFTDATJTSA-N 431.496 1.003 30 10 IDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 503834344 WKIFJSPMBUTUAY-INIZCTEOSA-N 433.511 1.436 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 508818722 UUCXDECMGRHWJX-IBGZPJMESA-N 438.532 1.421 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 522984278 MPYPRYAPENUIDZ-UHFFFAOYSA-N 442.539 1.473 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 525778119 PPPVWUCUSWSMGR-UHFFFAOYSA-N 444.516 1.985 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)n1 533100924 ADAQILBINWYKTI-UHFFFAOYSA-N 429.567 1.939 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)CC2)n1 544853381 BNEYCWZEJSSKDF-NJDAHSKKSA-N 430.512 1.942 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 558982611 WCCFBIJRNMULOA-NSHDSACASA-N 435.476 1.853 30 10 IDEE Cc1nc(CN2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)n[nH]1 561530971 FESYMBRJDBWKCU-UHFFFAOYSA-N 425.312 1.254 30 10 IDEE COc1c(F)cc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1S(N)(=O)=O 608967590 CWCHDEKTWMRNNE-UHFFFAOYSA-N 447.492 1.076 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC1 728589382 CYOFOFDEZMNQOX-UHFFFAOYSA-N 428.352 1.122 30 10 IDEE COc1ccc(CCn2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)cc1 729669632 ACFRSGGHGDLFBC-UHFFFAOYSA-N 427.489 1.835 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccco2)cn1 730143748 DKRDXINUHGPVAE-MRXNPFEDSA-N 431.518 1.883 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cocn2)C1=O 730724364 OXCJXQVGJOKROW-HLGQQVFSSA-N 430.534 1.180 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732651124 WUQOFVOAYKHNHQ-KRWDZBQOSA-N 431.562 1.349 30 10 IDEE CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C(F)(F)F)c1 737304700 ASNFJIDEFBUENQ-NXVVXOECSA-N 440.378 1.685 30 10 IDEE C#CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 742213472 IYAUJNQMONJGLZ-QGZVFWFLSA-N 429.546 1.198 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1C#N 747495989 WXJFCHNFBYRYDC-UHFFFAOYSA-N 428.470 1.362 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 756889445 DWIOKTZZHXLZNG-RYQLBKOJSA-N 448.545 1.715 30 10 IDEE COc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nc1I 760770735 DIQCQRLWZJVJAJ-UHFFFAOYSA-N 449.252 1.924 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2cnn3ccccc23)c1=O 772311334 LVRRCFUNQCGBSJ-UHFFFAOYSA-N 446.438 1.855 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)N(C)C)c1 785360051 YWDSHZQGOKZHKB-MNDPQUGUSA-N 430.552 1.110 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)n1 789088039 ZLEARSWRMLIBFK-OAQYLSRUSA-N 437.544 1.908 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2C)c1=O 794644965 KDFULCATNGIAFP-UHFFFAOYSA-N 428.517 1.909 30 10 IDEE C[C@@H](C(=O)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)n1cnc(C#N)n1 798744524 UENHETQGHOPALM-GOEBONIOSA-N 425.445 1.779 30 10 IDEE CS(=O)(=O)N1CC[C@@H](COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)C1 801202703 LKCUMWJFLPAZNJ-SECBINFHSA-N 439.437 1.594 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@H]1CCCO1 814249349 MELODAVZVVUYFS-CQSZACIVSA-N 436.484 1.279 30 10 IDEE COc1ccccc1N1CCN(C(=O)[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 912771460 PJWNJVGMLGSZGV-OAHLLOKOSA-N 428.514 1.471 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C#N)cn1CC 1130010743 NKIIEVWUMGZXAV-ASSNKEHSSA-N 429.477 1.996 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2sccc2S(N)(=O)=O)cc1 1136287570 KLDKHZFYASZWAE-XMHGGMMESA-N 442.544 1.461 30 10 IDEE CN1C(=O)NCC12CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1142793387 HHOURTLVIWAHRG-UHFFFAOYSA-N 447.561 1.302 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOC2(CCN(C)CC2)C1 1143016286 NBKCOHRGRMGGHA-GOSISDBHSA-N 448.589 1.463 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1165499129 XGGGFMBPJJRZSX-JBACZVJFSA-N 425.460 1.394 30 10 IDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1176833579 XSDCERARSGFPIC-OAQYLSRUSA-N 429.586 1.886 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3CO)cc2C1=O 1181429441 HLPFJBNYYAXTKZ-HNNXBMFYSA-N 429.473 1.522 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2OC)CC1 1230176731 FOFSJAXWKHEXME-IBGZPJMESA-N 432.502 1.172 30 10 IDEE N#Cc1c(CCCNC(=O)NCC[S@@](=O)CC(F)(F)F)nn(-c2ccccc2)c1N 1230863709 OHGWKPQUDANRLR-SSEXGKCCSA-N 442.467 1.869 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1286296091 MMUMMQKBKSDIRF-ARFHVFGLSA-N 445.536 1.894 30 10 IDEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286319411 HWMFMKVKHSEWDD-UHFFFAOYSA-N 449.519 1.093 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286349970 RNUIQYGFTMANNL-MSOLQXFVSA-N 425.537 1.983 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1286390646 DDUAXGQFHRVKFB-FQEVSTJZSA-N 427.574 1.972 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1286398776 OZVYXJVCMUWGOL-WOJBJXKFSA-N 444.557 1.951 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286606162 IJHPYMZCYWDPSD-CVEARBPZSA-N 425.555 1.225 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCN(C(C)=O)CC2)CC1 1286637170 WWWJAJWUCYJENA-UHFFFAOYSA-N 431.585 1.517 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(=O)NCC)C1 1286799239 UKBQIPPXRZSUBT-MRXNPFEDSA-N 441.536 1.869 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286821724 TVNFEBDQEHAOPQ-MOPGFXCFSA-N 443.573 1.493 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCCOC2)C1 1286824022 UCVPJAPXDFAWBZ-HXUWFJFHSA-N 437.566 1.008 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1286826855 VSDLWTRXHDUBRJ-UHFFFAOYSA-N 449.602 1.936 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1286988948 PTUQSSMFBOINEJ-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cn2)CCO1 1290895199 ZIFMKRDYDXNTFE-AWEZNQCLSA-N 432.477 1.673 30 10 IDEE C#Cc1ccc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1298092990 NNRHESURACSORT-QRVBRYPASA-N 432.542 1.954 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)NCC=C)c1 1300332233 ADSATBMAXSJWQP-UHFFFAOYSA-N 429.484 1.699 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1300466174 UXKOWXYCVWNEDM-GOSISDBHSA-N 449.552 1.797 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1300488650 UBYBDAMVKFBMGC-QGZVFWFLSA-N 428.493 1.493 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1300538364 PBFLYRSXXCRGRN-IBGZPJMESA-N 449.540 1.395 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1300578555 MGVQMCDWNDXGRD-RBUKOAKNSA-N 434.562 1.229 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CCC(=O)N1CCOCC1 1300644482 XMXKNGMOXHBJDX-UHFFFAOYSA-N 427.505 1.574 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)OC)CC1 1300689428 VJXFNQNDMQJEBK-UHFFFAOYSA-N 431.562 1.529 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1300762633 KSKXXVWRJIXTJM-SJORKVTESA-N 442.607 1.178 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC[C@@H]1C 1300804506 QASKDPDNVNINNY-KXBFYZLASA-N 434.504 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1301497423 WDCXUCIFGOMGJO-OAHLLOKOSA-N 444.561 1.988 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2n1CCN(C)C2=O 1303246709 HFGXBWHONOPUQE-LBPRGKRZSA-N 426.905 1.058 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)CCOC1 1303763983 QIHSFADKHWULMM-KNKQGSTJSA-N 448.568 1.016 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCN1CCOC 1306617584 ACWNOEUXJXUCBA-FQEVSTJZSA-N 449.563 1.931 30 10 IDEE CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1313547552 CNBKJQOMHRAJPU-MOPGFXCFSA-N 435.532 1.736 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1315104405 SHHKECIASJZCNU-IEBWSBKVSA-N 441.488 1.534 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1316297012 FXDXCKXSDLIBRN-BMFAXAFESA-N 430.509 1.627 30 10 IDEE CCn1c(NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)nc2cc(C#N)ccc21 1358193042 YTAIVBNCWKSWMK-INIZCTEOSA-N 426.477 1.944 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CCc3ccc(N4CCCS4(=O)=O)cc3)CC2)nc1 1358420732 YVSQRYCGHYLRJD-UHFFFAOYSA-N 439.541 1.775 30 10 IDEE C#CCCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1358936806 YAUJXHDSWXCILH-REWPJTCUSA-N 431.581 1.892 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1358948069 SYNJXAIXMRDRKW-JTSKRJEESA-N 432.569 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1358993336 KKUOUBREQVCPON-GOSISDBHSA-N 443.548 1.929 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCn2cc(C)nc21 1359018237 IXTBSJFNBYLCNJ-SFHVURJKSA-N 425.537 1.683 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCN(C)C(C)(C)C2)CC1 1359036823 KGBWOHFUISPZSX-UHFFFAOYSA-N 449.647 1.959 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359075885 JOVMRACEKBVVHH-MRXNPFEDSA-N 446.371 1.340 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1359102420 BALUUEZKMCMNPH-FCEWJHQRSA-N 442.545 1.980 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1359102422 BALUUEZKMCMNPH-MDZRGWNJSA-N 442.545 1.980 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359141246 ANSQESAUUFRRHF-MRXNPFEDSA-N 438.960 1.777 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359330958 ICSSVZARQBAZGY-MSOLQXFVSA-N 430.578 1.922 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359437227 AYSMHCMBSMJUTM-UNEBPCJRSA-N 441.536 1.110 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359475096 COYSGFANLYNONM-RDJZCZTQSA-N 434.541 1.885 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359550914 SPTXLKVYXMRMDQ-QZTJIDSGSA-N 435.532 1.836 30 10 IDEE C=CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)OCC 1449702562 XMBCALXHBSPSAV-VWHUOQICSA-N 427.501 1.804 30 10 IDEE CONC(=O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1460738058 XJOBJQMMTGLORU-QGZVFWFLSA-N 443.548 1.746 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OCC 1464259334 SGDXCOXEOXHFQJ-HNNXBMFYSA-N 428.894 1.666 30 10 IDEE N#C[C@]1(C(=O)N2CCN(c3ncc(I)cn3)CC2)CCCOC1 1470935239 NVUJFVIVAFHZHN-OAHLLOKOSA-N 427.246 1.050 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@H]([S@](C)=O)C1 1472625480 BWTQRIPSBBEAEX-NATYINEWSA-N 425.576 1.700 30 10 IDEE C=CCN1CCC(NS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1474938721 FNOOWPPMCFFBBE-FQEVSTJZSA-N 437.562 1.594 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1478900364 BROCEAYRKJQYAQ-HXUWFJFHSA-N 433.578 1.636 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1493168860 IEBXTDIKQKUBDH-CQSZACIVSA-N 430.472 1.026 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1503283792 XTESQMQFAPKTEK-MAUKXSAKSA-N 432.550 1.617 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1504439881 AASGZFSIHYNFEJ-YJBOKZPZSA-N 440.504 1.509 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cccc(C(N)=O)c1 1507612426 UADLVBKXVTWUAC-UHFFFAOYSA-N 444.543 1.863 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507657620 ULTQPFRAVVNUJI-FQEVSTJZSA-N 447.518 1.696 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 1507752576 BWAWULMIXMFMGF-UHFFFAOYSA-N 446.621 1.316 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1507754591 OBGLMKCPIBBAHE-GOSISDBHSA-N 435.594 1.518 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCC#N)CC1CC1 1507774832 CSIFKIGYCTTZQP-LBPRGKRZSA-N 431.360 1.927 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1507783451 CTOSOOKMQFGNPG-STQMWFEESA-N 446.371 1.051 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccn2)CC1 1507966447 YDMGJEKFHDNWNJ-UHFFFAOYSA-N 437.552 1.849 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1508084751 BBJSYTPZFNVJLR-UHFFFAOYSA-N 430.484 1.589 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C 1508143134 DYBBEWXBPNFMQH-HNNXBMFYSA-N 435.525 1.276 30 10 IDEE CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1514471775 FCDPDRLMVWZVJX-SFHVURJKSA-N 432.550 1.919 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)C[C@H]1O 1517689886 PUBPKVWMVJEYGY-QXAKKESOSA-N 425.489 1.604 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 1532530049 XXFSMGWCSGGDON-QGZVFWFLSA-N 428.445 1.813 30 10 IDEE Cc1nsc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c1C#N 1538166530 OYKXFKSQUHZNDL-PIGZYNQJSA-N 426.520 1.543 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1539225344 NDJRKGKYFPQCKN-IBGZPJMESA-N 440.504 1.473 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539230202 CYTKMSZYUCTNPQ-QZTJIDSGSA-N 444.561 1.654 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1539230849 MAMXQTCJRJXPMW-LLVKDONJSA-N 441.298 1.429 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1539261124 YKRXLXKRXJZEQG-PMACEKPBSA-N 433.512 1.826 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1539263371 GEAFHZRIMPEESG-LJQANCHMSA-N 442.564 1.992 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)CC1 1539436378 QBTUTSAIZCYDDW-UHFFFAOYSA-N 437.935 1.804 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1539459787 NQWSLZVIFIQFJU-VGOFRKELSA-N 444.605 1.822 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCC(=O)NC2CC2)CC1 1539461792 LWHPIWNVDLILFJ-UHFFFAOYSA-N 440.523 1.810 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[C@H]2COCCO2)CC1 1539462487 VKSIQKYZVCPEHB-SFHVURJKSA-N 429.496 1.557 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1539481221 IRZFFONDXBTCHM-TZIWHRDSSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1539531272 UJAHHJUIWOXHKC-HZPDHXFCSA-N 443.639 1.549 30 10 IDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C)S(=O)(=O)CC)CC1 1539854748 XNQANOVOCVRCCK-UHFFFAOYSA-N 435.598 1.968 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1540865700 PDYRQAICRRYYHR-KRWDZBQOSA-N 425.493 1.559 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1544310032 OJWSRRZUJQFRJY-AKXBSKNESA-N 444.536 1.691 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1552900096 DIZCWSCCLHMADS-HJWYETAXSA-N 433.559 1.351 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1555940106 CECWWBSWGWOSEV-OYZNXGNDSA-N 447.499 1.550 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCO[C@H]2CCOC2)cc1 1555989290 FRVNMMIAVKBENM-SFHVURJKSA-N 431.518 1.247 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1556172045 MJBZZLYIYDQDMO-WZONZLPQSA-N 442.516 1.932 30 10 IDEE C#C[C@H](NC(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)c1ccc(Br)cc1 1556781479 HPJKXIXOPDCHSP-AWEZNQCLSA-N 433.262 1.947 30 10 IDEE COC(=O)c1ccc2c(c1)CCCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1558577488 OVFLUIOLUWUUEO-UHFFFAOYSA-N 427.482 1.993 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2CCN(C3CCOCC3)CC2)[C@H](C#N)C1 1564530647 GMHPGQWQQQCJCH-IEBWSBKVSA-N 435.569 1.936 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)Cc3c(C)cc(C#N)cc3C)CC2)cc1 1583578804 FIFMVFSHVOXWBR-UHFFFAOYSA-N 426.542 1.975 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2cc(C)c(C#N)cn2)c1OC 1586231554 BMPYWPMHDNFHHU-UHFFFAOYSA-N 446.485 1.552 30 10 IDEE CCCCNC(=O)CN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1586522613 MPHRNCGAGUAZTG-UHFFFAOYSA-N 434.581 1.697 30 10 IDEE C#CC[C@]1(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1587724328 XCOIZYTXLBUMPJ-UZUQRXQVSA-N 432.565 1.591 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(C)C 1588140352 VUQPSQSLCXKGEV-MSOLQXFVSA-N 431.587 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588254424 WHSGQLLWLSRVNT-MOPGFXCFSA-N 433.578 1.482 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCSC1 1588612433 GIKVERHAXSGEFH-NRFANRHFSA-N 432.546 1.916 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@](C)(O)CCOC)CC1 1588864895 LHYJRCZEMONIPX-DEOSSOPVSA-N 436.560 1.824 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOCC)CC1 1588954286 DCNHKIABVOIMND-UHFFFAOYSA-N 449.559 1.909 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1589171545 JICJWHPNWMWEJI-YADHBBJMSA-N 443.573 1.407 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1593747350 UXVSHUDWYAGOEX-ROUUACIJSA-N 443.552 1.772 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 1594733423 SUDARXYZOIXQHH-MRXNPFEDSA-N 447.565 1.272 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1594962627 MZJLELGLPDVCJL-CKJXQJPGSA-N 437.541 1.749 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1595537795 XQDWHGDAPRKVTO-UHFFFAOYSA-N 440.548 1.797 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595879006 UDXICAIIRYAELU-HNNXBMFYSA-N 429.612 1.561 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1596576298 HKXBHYXCJYBQLR-GOSISDBHSA-N 426.521 1.852 30 10 IDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1617711733 FOJUFRJYMQTDMJ-SFHVURJKSA-N 444.561 1.714 30 10 IDEE CN(CC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1618078357 IEWVSORGXQLTNL-NRFANRHFSA-N 429.546 1.993 30 10 IDEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)n1 1618434546 BXKNOMXRVLXPQG-UHFFFAOYSA-N 436.476 1.455 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@H]1C[C@H]1C 1620018248 BTVFIMRQYWDJNU-HPFXQQBRSA-N 426.525 1.960 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1620075797 OWIWSLOJMONQPP-IBGZPJMESA-N 439.520 1.520 30 10 IDEE C[S@@](=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1620180749 FGSYXTYWMZBZQL-JCOAXYOVSA-N 444.536 1.883 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CC1 1623188088 UWNNCNPRMBNRBD-UHFFFAOYSA-N 438.403 1.384 30 10 IDEE CC(C)Cn1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 1629484947 GSWLQFMFJPLVIT-UHFFFAOYSA-N 428.514 1.523 30 10 IDEE COCCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1631259871 DDSXVIGJOKGHAB-CVEARBPZSA-N 431.555 1.626 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3nnc(C)s3)CC2)ccc1F 1635303186 JUADBOAUJKHUKO-UHFFFAOYSA-N 425.511 1.412 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](c4cc(O)nc(O)n4)C3)C2)C1 1640605504 SMSFOWBYUHAAFV-ODRXNTGYSA-N 443.504 1.991 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1 1640868184 NOOFWTUWXUXPMJ-UHFFFAOYSA-N 444.513 1.289 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)CCNC(=O)OCc3ccccc3)CC2)cc1 1665585534 BGVATOFKXZXUKD-UHFFFAOYSA-N 428.514 1.936 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 1665969281 LWQDXLRLLOTHBP-HUUCEWRRSA-N 427.548 1.392 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1672022879 QHTOOSZSKQGJLJ-DEXQXJORSA-N 440.547 1.055 30 10 IDEE CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1682238068 OYHCDKRZYXWYDV-DHSIGJKJSA-N 425.532 1.121 30 10 IDEE C#C[C@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(Cl)cc1F 1683517020 OJTIKRSKVRDAQH-SFHVURJKSA-N 430.867 1.885 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1685681927 NUOXPTAAIKLLPY-UTKZUKDTSA-N 436.564 1.937 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N[C@@H](C)CC 1689966578 WDUXKRWWSMAJGQ-IRXDYDNUSA-N 448.568 1.961 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689985964 GBLRBQOPHVKSRQ-KRWDZBQOSA-N 441.561 1.309 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCC1 1690092856 YZSZEJWZNNPOHS-UHFFFAOYSA-N 439.520 1.414 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1690113531 MHOHDOARLBDXED-XUZZJYLKSA-N 444.624 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(C)c2)CC1 1690140020 IWFGWKQUCGBYSU-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1690186885 WVMUVAGTOXJBAT-GVDBMIGSSA-N 432.594 1.777 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1690655188 JYKVWWAYTQITFL-MRXNPFEDSA-N 443.577 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690668774 IPXGJYFELLYSMJ-HSZRJFAPSA-N 449.515 1.865 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690669170 WJCHFLYDFGPZFY-UHFFFAOYSA-N 425.537 1.645 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)C1 1690699511 GDHSUNCOVRNBRE-ZWKOTPCHSA-N 434.566 1.328 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690720556 MCPVZEHFKMEQJA-AWEZNQCLSA-N 444.554 1.554 30 10 IDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCC1 1695918146 BPVRAFAGYQSONJ-JOCHJYFZSA-N 435.532 1.825 30 10 IDEE CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1696586322 AQHVRZFJODAUGB-GOSISDBHSA-N 437.504 1.052 30 10 IDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(C)c1 1698060345 CPZZHJBWGKKYKP-UHFFFAOYSA-N 433.476 1.742 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOC(C)(C)C1 1705531753 VAYVEGMIHLOQKL-UHFFFAOYSA-N 428.537 1.966 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705564951 FZTFXXIYWRMNKW-MOPGFXCFSA-N 437.610 1.878 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705569905 LDFAJLPBVJTJAX-NZQKXSOJSA-N 442.585 1.851 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC(OCC)C1 1705612695 MNSHPTLOBQZYDR-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1705636349 GSPRPWONWBOOIE-GHTZIAJQSA-N 449.563 1.737 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCOCC2)CC1 1705762769 HYLLVQSVXQFMKQ-OAHLLOKOSA-N 429.612 1.957 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)cc2)CC1 1705769123 JHGYUCUJJUCCLZ-IBGZPJMESA-N 447.561 1.824 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2cnnn2)CC1 1705778258 PLNOKJFCQNBOTP-UHFFFAOYSA-N 442.549 1.828 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(CCn2cccn2)CC1 1705894237 QRWBCCUPGPMXES-ICSRJNTNSA-N 429.569 1.985 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1705894665 GYMXGJSCVFABFJ-WMZOPIPTSA-N 426.521 1.685 30 10 IDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1712058220 ARPYPPPMKBQZQW-SFHVURJKSA-N 448.549 1.283 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@H](C)O1 1712283846 HRJYFGSZPGHIPJ-FXAWDEMLSA-N 441.532 1.988 30 10 IDEE COCCCN(C)CCn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1712380008 XBOBZFATRKEYAB-UHFFFAOYSA-N 428.541 1.619 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1722297389 ZPUDWSKLWIXQSI-PKOBYXMFSA-N 431.562 1.620 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 1722316896 NYQASUJWYWCYRL-QZTJIDSGSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722367108 VBMDBEJWZPVHJI-SFTDATJTSA-N 427.574 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCC2)CC1 1722446752 AJYBJKPSRNDKHX-KRWDZBQOSA-N 433.578 1.336 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722453480 UQKRCJGSMFRVHF-UHFFFAOYSA-N 449.650 1.786 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1722453547 XATUKFSZKFWBCT-UHFFFAOYSA-N 434.610 1.428 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn(CCOC)c1 1722475150 PTSSKAXLIVJKTE-CNNODRBYSA-N 428.537 1.885 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1722509519 PPDQQWJEFKSUPZ-ZVDOUQERSA-N 446.596 1.759 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1722529632 XTDOOKCKHPWTQC-ULQDDVLXSA-N 427.571 1.486 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1722702088 CXNKGNUOKACPIE-VQIMIIECSA-N 432.569 1.591 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(CC)C1 1722703272 XWZVZVXAXQOJTN-HXUWFJFHSA-N 432.550 1.577 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)SC)C1 1722719471 UUQFKRLGDQMSSI-OAGGEKHMSA-N 445.611 1.144 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1722729001 VLRDSHKPDCEKSB-QGZVFWFLSA-N 435.594 1.574 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCNC(=O)C(C)C)CC2)c1C#N 1725863431 PCKRRZUJFAVDNI-UHFFFAOYSA-N 441.584 1.804 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C#N)o2)c1 1730994114 AYQIMTLQPPCXLT-QGZVFWFLSA-N 438.469 1.590 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740573512 DWYAXWNUDKNBCF-MSOLQXFVSA-N 435.594 1.726 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1740619967 BBVOBRIWJQEVMG-INIZCTEOSA-N 446.577 1.073 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1740629309 IWPDXKKUEKJIPS-UHFFFAOYSA-N 448.918 1.520 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN1CCCS1(=O)=O 1740630262 HJNSDKCVZGPGOS-UHFFFAOYSA-N 449.540 1.444 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOCC2(C)C)CC1 1740692745 MIGCOGRBNHWYNH-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740742842 CWVILNYHZIHUPU-ZNMIVQPWSA-N 441.374 1.683 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1740957745 ZIHGWLMAJBDCRP-CYBMUJFWSA-N 426.447 1.054 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1740991623 AQXPNNQDAMDPKT-MRXNPFEDSA-N 425.599 1.820 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@H]2CCOC2)cn1 1741804402 BQYXDCOUUGDBRN-IRXDYDNUSA-N 426.525 1.539 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1n[nH]c(C)n1 1748647570 PVMJWGRIYMGWNG-CYBMUJFWSA-N 441.565 1.674 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 1748751147 CQBLLPPOZQAWNW-YLJYHZDGSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1748815591 RTRSXTCIAKAGAT-AWEZNQCLSA-N 449.533 1.058 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CC 1748886669 KZQBRSRZRVATBK-OAQYLSRUSA-N 428.562 1.862 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)Cc2ccccc2C1 1748905309 CIFUOGFGQWFIDL-QGZVFWFLSA-N 444.605 1.447 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C(=O)NC)c2)CC1 1749287081 WJYMVZVACUCXRW-INIZCTEOSA-N 446.577 1.647 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1749457294 IXWGPJHKKIAPHT-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749658212 LTXWWZDNAUEKQP-LSDHHAIUSA-N 429.912 1.353 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749659496 FMTVPZLGCHKAKX-NVXWUHKLSA-N 445.520 1.505 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)CC1 1749721541 NEPVGJNEUCFNOL-UHFFFAOYSA-N 437.488 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1ncc(Cl)n1C 1749729269 FVMHZIDQXDAYTN-UHFFFAOYSA-N 435.941 1.964 30 10 IDEE COCCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)cn1 1749856206 FIASCSGLGDCZJL-LJQANCHMSA-N 437.504 1.845 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1750069694 JNZWFBZXLDCZCU-QAPCUYQASA-N 447.503 1.715 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1750923777 GGLSGQZYXSFQFT-QVKFZJNVSA-N 428.493 1.704 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1760189869 QRBQSBRMTDXZSW-OXJNMPFZSA-N 447.586 1.143 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1760195156 XQXIWQXVLNSPBI-HRAATJIYSA-N 446.504 1.180 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCO[C@@H]2CCOC2)CC1 1760263358 YLWWXEULQBCGJV-LJQANCHMSA-N 430.578 1.585 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](SC)C(C)(C)C)CC1 1760268599 MHFGAZMBQSIAFD-IAGOWNOFSA-N 446.621 1.973 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(C)C)CC2)CC1 1760269227 BUYCJGZGFZOKKE-GOSISDBHSA-N 447.605 1.582 30 10 IDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1760358657 WEGMBHLBXMMJMT-UHFFFAOYSA-N 431.512 1.896 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1760509591 RGQRDQDYPJODGS-UHFFFAOYSA-N 430.534 1.732 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2nccs2)C1 1760552240 HOZDIMCVKUBRRZ-INIZCTEOSA-N 446.558 1.975 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1761360113 GJSIKWJRQKVWBR-DLBZAZTESA-N 443.552 1.981 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1767873217 PZWOBZIESCNZLB-KGLIPLIRSA-N 433.490 1.083 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCS(C)(=O)=O 1770204206 FLFOUKFEZNRGCS-BXWFABGCSA-N 425.555 1.567 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCOCC(F)F)cc1 1771534979 WJBHLSRBVNHNGK-OAHLLOKOSA-N 447.446 1.224 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869934643 OEXWOYBDROLHDX-HNNXBMFYSA-N 426.454 1.368 30 10 IDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870568083 SCUNXZPPARDFEF-UHFFFAOYSA-N 441.488 1.390 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)NCCN3CCC(C#N)CC3)OCC(=O)N2C(C)C)cc1 1889830033 DRGDEJCPQDHZHS-FCHUYYIVSA-N 428.533 1.724 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cs1 1890846916 ZQMXEFKCQSXULD-CYBMUJFWSA-N 428.461 1.158 30 10 IDEE C[C@H](C#CC(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902018110 WQCDYMHOYFFKDW-OWCLPIDISA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CCN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1910963758 XFPIFGYNLAKRGL-JYJNAYRXSA-N 438.525 1.718 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@]12CCOC2 2006234327 OMSLMQZJLPPXNY-DOMZBBRYSA-N 425.345 1.983 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2076823093 YPPXCHZVWRFAHY-NUYFAKNASA-N 440.346 1.460 30 10 IDEE CN1CCO[C@@H](CN(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172779156 YVPAEUQIDAMMBA-CQSZACIVSA-N 426.164 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NS(=O)(=O)c2ccc(C#N)s2)CC1 2174786051 GARPPIMPONFOKJ-SANMLTNESA-N 434.565 1.874 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247849040 UIRCNEYZHBTMET-STQMWFEESA-N 438.355 1.757 30 10 IDEE C[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2247951023 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Cn1ncc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2267515845 UVBFRLWIOPKYTM-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 2337195067 UHAQYIVTEYKDGW-UHFFFAOYSA-N 446.357 1.943 30 10 IDEE Cn1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(=O)n(C)c1=O 10044895 WBTPCSMCAJZBKU-CMDGGOBGSA-N 442.497 1.481 30 10 IDEE C=CCN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(CCC(=O)NC[C@H]1CCCO1)C2=O 35964541 QVUGCFWWPYWNCY-DYESRHJHSA-N 442.491 1.860 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 109934479 OYYFBUNUNBKXJC-NCTLDZBQSA-N 436.493 1.205 30 10 IDEE CCCOc1c(OC)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1[N+](=O)[O-] 169883566 PCZGOSOROWWIRJ-NVMNQCDNSA-N 437.434 1.532 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 438951680 JWIOFKQCPOSTGC-GBOPCIDUSA-N 446.403 1.691 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 441834502 DLNSGTUBZLGGTM-MRXNPFEDSA-N 439.438 1.574 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@@H]1CCCO1 447005141 GAJNHHIOCUOYGE-INIZCTEOSA-N 435.505 1.617 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCN(CCC)CC1 460391543 VCWVHFVRVLTVLO-SFHVURJKSA-N 440.614 1.498 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 466527846 MGUXDWQVKNQLDG-CABCVRRESA-N 426.912 1.896 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](C#N)C3CC3)CC2)cc1 481778077 KPLSHKCJNJBHDC-FQEVSTJZSA-N 446.573 1.841 30 10 IDEE CN1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488259659 FPSSXPCUOWBYFX-FCHUYYIVSA-N 438.576 1.471 30 10 IDEE CN1CCN(c2cccc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)n2)CC1 502079704 RVZVKKANCKXGON-UHFFFAOYSA-N 444.543 1.836 30 10 IDEE COc1cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C#N 519488261 CFVOJZUURDKBIN-UHFFFAOYSA-N 443.525 1.837 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 549265732 IRLOACSYTBPZOE-RBUKOAKNSA-N 447.561 1.765 30 10 IDEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 549352425 ZSISGCYSKYPEDN-NRFANRHFSA-N 440.548 1.986 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccccc1C#N 603999881 ACUYWISWZSNZKO-UHFFFAOYSA-N 444.516 1.809 30 10 IDEE C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)NC(=O)C1CCCC1 608901899 CPCGGZBUFFCOLY-INIZCTEOSA-N 432.546 1.476 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCCCC2)C1 670197771 FKWOTGSNPYAUGA-ROUUACIJSA-N 438.598 1.252 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)cc1 742939225 BSFFOHSZXAMMAS-UHFFFAOYSA-N 449.559 1.616 30 10 IDEE COC(=O)c1nn(CN2CCN(c3nccnc3C#N)C[C@H]2C)c(C)c1Br 756876913 PNVFSCRQVVHZJY-LLVKDONJSA-N 434.298 1.571 30 10 IDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 757386282 IAZBXLCVQFPKHX-KBPBESRZSA-N 432.502 1.251 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1)[C@H]1CCS(=O)(=O)C1 774051720 FGLUXEDJTUREGQ-PBHICJAKSA-N 435.502 1.022 30 10 IDEE NC(=O)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC[C@H]2CCOC2)cc1 784126585 ZBFXQGGRQMMDRC-GUYCJALGSA-N 430.530 1.812 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)cn1 790016153 CWTDQOIPRXFOLB-INIZCTEOSA-N 436.582 1.208 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 790104286 MLTDJILDIASCBS-MRXNPFEDSA-N 429.433 1.297 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccsc3)c2=O)c[nH]1 790434720 UKBGNTRBGKVBKN-UHFFFAOYSA-N 439.518 1.947 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNCc2ccc(N(C)CCC#N)cc2)CC3)CC1 792741467 YRNZTWZYSXKUTF-NRFANRHFSA-N 449.603 1.973 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 794594990 DOEFLRFPVOUUHM-MRXNPFEDSA-N 437.546 1.913 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)ccc1F 804120725 DAOVXLNKLZPQAK-MRXNPFEDSA-N 446.460 1.803 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1OC 804731205 JRZUDHFJYBNALS-UHFFFAOYSA-N 446.504 1.862 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 857758683 KBWWXRPHLRQJIM-MRXNPFEDSA-N 438.550 1.560 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 917687785 DRYYUCWSJUTKMR-XSGYAIRBSA-N 436.559 1.892 30 10 IDEE C=CC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)O 1116921467 BMESVFUMCVIDPB-UONOGXRCSA-N 431.308 1.748 30 10 IDEE C[C@H](C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C)n1cnc(C#N)n1 1130700834 INFOYXDYXROOTR-MDZLAQPJSA-N 444.414 1.091 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(CN2CCNC2=O)cc1 1132555016 IFTMIKKQKSUVPB-UHFFFAOYSA-N 431.500 1.992 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)nn2)C1 1136537583 OEERIZMLQGIDEV-UHFFFAOYSA-N 437.504 1.904 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)C[C@H]1C(=O)Nc2c(Br)cccc21 1142585970 GXMSEYRZXNYKNR-OAHLLOKOSA-N 435.322 1.949 30 10 IDEE C#CC1(F)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)C1 1153617702 XJUANRZPWUWEBB-UHFFFAOYSA-N 432.521 1.864 30 10 IDEE C#CCN1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1155872897 GMEUISCZDBQUPJ-LJQANCHMSA-N 434.518 1.352 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1157501539 KWWCZBQUEJPOGF-SFHVURJKSA-N 442.921 1.669 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)nn1 1193475953 OLGWZKDXAVONTB-UHFFFAOYSA-N 440.323 1.980 30 10 IDEE N#Cc1c(CCCNC(=O)NCC[S@](=O)CC(F)(F)F)nn(-c2ccccc2)c1N 1230863690 OHGWKPQUDANRLR-PMERELPUSA-N 442.467 1.869 30 10 IDEE CO[C@H]1CCn2cc(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)nc2C1 1264644724 CXPJKKDHTKCHCP-ACNSNUFOSA-N 431.518 1.909 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1286448082 PFROURABAZIKQY-QGZVFWFLSA-N 446.577 1.443 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1286478682 JNIKGSVBQGMEQJ-UHFFFAOYSA-N 444.624 1.502 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286628776 GFTKHVZJVUKFKH-ZDUSSCGKSA-N 436.987 1.336 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)N1CCOCC1 1286719001 AVBSCOBZLMPCBS-FQEVSTJZSA-N 437.552 1.900 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1286758731 VCSUADNZGRFLLD-HOTGVXAUSA-N 428.580 1.326 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnn(C)n1 1286759774 GZAUVRHANKFYBL-UHFFFAOYSA-N 444.503 1.732 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1286776744 WVSFKIOBEAECBL-UHFFFAOYSA-N 446.987 1.858 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1286816597 HKSUZIVBRKRMBO-IBGZPJMESA-N 438.642 1.607 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1286905852 AJCHSSWSDZDBDQ-NRFANRHFSA-N 437.548 1.644 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286949682 MZMKABLNWNQYNC-SFHVURJKSA-N 430.534 1.356 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1297981581 BCKDQGDFFARMSG-IBGZPJMESA-N 434.504 1.397 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CNC(C)=O)CC1 1300404537 ZVQNDOWNUMCONB-UHFFFAOYSA-N 447.543 1.958 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300489996 XASPMAIDTSWQHA-AZUAARDMSA-N 443.573 1.293 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1300490079 YXFMOPSBHPNVIG-HXUWFJFHSA-N 449.540 1.708 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1300756175 HNDQGFMDGWNUFN-QGZVFWFLSA-N 430.578 1.577 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1300762363 IHYJQUWHHSMXIX-MRXNPFEDSA-N 441.623 1.604 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1300787612 MBJPNXPNTLHFIE-AGILITTLSA-N 444.624 1.948 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1300948825 CBCPYAYBRISXMH-GOSISDBHSA-N 444.561 1.706 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301058589 CLTQSWGJQUIFRT-KBPBESRZSA-N 438.916 1.275 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OCC 1301297250 OHKBYAZHDWNGDI-INIZCTEOSA-N 436.538 1.075 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1301298027 XNUZHCONJLZKFX-GOSISDBHSA-N 435.550 1.680 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)C 1301483742 VYXFUDFEJUYCHJ-UHFFFAOYSA-N 449.353 1.971 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1301555176 UOLDMFZMOLPEEF-BZUAXINKSA-N 434.541 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(C)C)C1 1301589325 QMZNTAISYULTHE-SJORKVTESA-N 444.623 1.653 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1301614034 UYCZRRZXIVJNHP-KRWDZBQOSA-N 438.598 1.279 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2(F)CCC2)C1 1302479597 NJRWVQBDVIRSER-KDOFPFPSSA-N 444.508 1.335 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncc(Br)s1 1302842749 SSEPYPZUYHMSCW-UHFFFAOYSA-N 429.321 1.651 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1304001480 CPQASCBDIWAJQW-ZBEGNZNMSA-N 428.392 1.315 30 10 IDEE CCc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1306085180 BEOFTLHGBRJVFL-IWKHNONTSA-N 438.488 1.643 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1314001215 FSTFKWLCHBNOBU-AYOQOUSVSA-N 444.561 1.760 30 10 IDEE CN(c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1314695549 WZQVJHCEZHMMEY-IXEZMPPVSA-N 432.550 1.988 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1=O 1314930613 RSSLVVWGPOIWPM-IBGZPJMESA-N 440.504 1.203 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1315734391 CVCAPGQFGTVAQV-UXHICEINSA-N 438.532 1.960 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@@H](C)O1 1315929125 BPMPFGJNACSADO-APWZRJJASA-N 426.521 1.972 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1316529526 FPCIIBWEEQPJQT-ROUUACIJSA-N 442.545 1.486 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358961200 TWQKBHDQOMKAFS-GOSISDBHSA-N 446.577 1.391 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1358964552 BAZVMDRDUFCHFI-IBGZPJMESA-N 443.573 1.282 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358966516 QWFUADKEVHIIGW-KRWDZBQOSA-N 432.546 1.563 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1359305093 SQXMKCHONNQLHC-SFHVURJKSA-N 436.520 1.901 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)C1 1359310753 FUFDDBPYENGFMO-QGZVFWFLSA-N 428.493 1.205 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359329142 ZXKQNZPJVDLVNB-GOSISDBHSA-N 447.561 1.060 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)CC)CC1 1359331893 KALIRTYQQSFZNP-QGZVFWFLSA-N 438.598 1.141 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1359473009 VBNQJVPLRDRRMU-OAHLLOKOSA-N 429.525 1.712 30 10 IDEE CC(C)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1359597848 GNMIDSJPHJDQMU-KRWDZBQOSA-N 444.511 1.836 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)CNC(=O)N2C 1469278975 HUOGSUHABACGTI-INIZCTEOSA-N 447.561 1.156 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)C1 1469544092 GBICSXUPMXHTOO-SFHVURJKSA-N 429.480 1.867 30 10 IDEE N#C[C@@]1(C(=O)N2CCN(c3ncc(I)cn3)CC2)CCCOC1 1470935235 NVUJFVIVAFHZHN-HNNXBMFYSA-N 427.246 1.050 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)CC1 1477919039 VSXRTWDHQQXDDL-UHFFFAOYSA-N 449.577 1.334 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1502372246 GPHAOKBHHUERRO-QGZVFWFLSA-N 436.520 1.193 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)N(C)C 1505070211 WRFDNAJGMUPPSB-HOTGVXAUSA-N 440.570 1.024 30 10 IDEE C#CCCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1507575870 WMUBEQXAZAAMDW-XMSQKQJNSA-N 430.553 1.774 30 10 IDEE C#CCN(C)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N1CCSCC1 1507621308 QMVXSXQVHKJCPS-UHFFFAOYSA-N 425.605 1.378 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 1507634553 ZATCPIAMVDPPFA-OALUTQOASA-N 441.557 1.467 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1507634898 QVIMEMXFQUVGHJ-RTBURBONSA-N 441.557 1.083 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1507643986 YFBLOVZTFIJHSN-IBGZPJMESA-N 429.322 1.597 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1507710934 XBNFEQSGWTYVIU-SFHVURJKSA-N 433.516 1.818 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CC1 1515993620 FVAUTUQQVLGDTH-UHFFFAOYSA-N 436.545 1.580 30 10 IDEE CC(C)Cn1[nH]c(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1=O 1516306207 BYFSOFXUQHEGPT-NKFKGCMQSA-N 433.534 1.826 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 1516734237 VQGAQSQCDHIHGF-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1517218301 LTVOFGRQULHCBP-SFHVURJKSA-N 432.550 1.761 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1518764737 JUEOHHYKOOWQGL-HRAATJIYSA-N 428.468 1.572 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@H]2CO)CCO1 1521136040 AKPNCUCECSFBSP-VQTJNVASSA-N 425.537 1.230 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(CC#N)cc2)o1 1537510050 FDEFYHAMDYRJSB-KRWDZBQOSA-N 445.497 1.992 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1539399972 VXRHYOGGNXXLRT-UHFFFAOYSA-N 427.530 1.728 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CCOC2=O)CC1 1539453407 KGKVACGNLWJMIX-UHFFFAOYSA-N 438.532 1.475 30 10 IDEE C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1540591317 VCNKHKNLGLAQTI-RHSMWYFYSA-N 447.536 1.936 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1540873329 VCCFPIYLIOGEEZ-INIZCTEOSA-N 445.593 1.679 30 10 IDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1545121361 NGLWOVNTSYMMJE-INIZCTEOSA-N 436.472 1.863 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(N(C)C)CCC1 1555665150 VBBZOARHYLXJFB-HKUYNNGSSA-N 431.585 1.663 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1555816577 ASDCZWRADVUUQN-UHFFFAOYSA-N 443.577 1.683 30 10 IDEE Cc1csc([C@@](O)(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C(F)(F)F)n1 1557894887 FVLFHLJRGWEIJG-HNNXBMFYSA-N 430.412 1.662 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)c1 1561806554 YWDHORRASWEVMJ-IBGZPJMESA-N 430.530 1.177 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1565373929 INGPWOWZBBYXQU-CUYVQJCZSA-N 426.539 1.069 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnnn1CC1CC1 1588444965 ASPVKPBZABHAAV-UHFFFAOYSA-N 425.522 1.174 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)nc1 1588638699 WBPAOGMXBVSKGQ-HXUWFJFHSA-N 440.548 1.886 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1588646956 QDHBJVUVBGBXJI-IBGZPJMESA-N 447.561 1.054 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCc2cnn(C)c2)CC1 1588848223 AQVMVOVUPMLHDK-UHFFFAOYSA-N 433.560 1.999 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)[C@H](C)CC)CC1 1588930509 YAEYEYXKJMSPTC-UYAOXDASSA-N 430.597 1.868 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1594449294 VSKXAOLVQKSIRF-QFIPXVFZSA-N 445.568 1.833 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1595517182 RLAXQHCDMNMDSH-QGZVFWFLSA-N 446.577 1.355 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CO)CC1 1595777148 JNLVOKKKFQNHTC-UHFFFAOYSA-N 448.545 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1595798431 PIYUWNUFQPGIAD-OAGGEKHMSA-N 448.611 1.378 30 10 IDEE N#CC1(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CCOCC1 1607172249 HZLNNVYIWYMULO-UHFFFAOYSA-N 429.498 1.921 30 10 IDEE CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1614319422 ATDBHNBLTZOPNZ-MODMUFLJSA-N 443.552 1.500 30 10 IDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)c1=O 1615727112 FCWZSTNMWBYNED-UHFFFAOYSA-N 431.500 1.715 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1620077587 ULCKFOMTQQQXLJ-RXVVDRJESA-N 440.548 1.637 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)cc1 1620352557 UCASCFSENBFLMF-MJGOQNOKSA-N 440.504 1.236 30 10 IDEE C#CCN1CCCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 1628350790 NBHKPOARXBVEEK-UHFFFAOYSA-N 428.352 1.285 30 10 IDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCN1S(C)(=O)=O 1631777999 SBJLHJPHKOXFBJ-DQLYFJKKSA-N 440.566 1.266 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOCC1 1632880499 RCEPQNMURPDNDI-UVTIVQHFSA-N 436.509 1.339 30 10 IDEE N#C[C@]12CN(C(=O)c3nccnc3C(=O)Nc3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1636512577 LKEMVZPSAMAYKH-HXPMCKFVSA-N 445.888 1.393 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)s1 1637733067 PTNLOOFYTACKOI-UHFFFAOYSA-N 440.547 1.089 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)CNS(=O)(=O)c1cn(C)cn1 1638815283 SUMWJOYXNPETOV-UHFFFAOYSA-N 429.296 1.664 30 10 IDEE C=CCCn1cc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)nn1 1638826157 BRZIVKXUFJUORO-UHFFFAOYSA-N 425.474 1.648 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1639036382 BZXUJQXYELPDKK-FTRWYGJKSA-N 440.566 1.603 30 10 IDEE CN1CC(=O)N(CCCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1639986270 VXPJYVRJGKZXIX-UHFFFAOYSA-N 435.488 1.271 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)C(=O)OC 1642410844 PECJDGYQWYLQSI-IBGZPJMESA-N 428.466 1.985 30 10 IDEE CCN(C(=O)CN1Cc2cccc(C#N)c2C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1643654753 GRPVMARWKAENCZ-UHFFFAOYSA-N 444.495 1.820 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](NC(=O)C(F)(F)F)[C@@H]3C)CC2)o1 1646484489 GZZQHAKXKDCHDF-JSGCOSHPSA-N 442.442 1.035 30 10 IDEE COc1cc(CCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1O 1647746312 RBKJYMSTDWQHML-UHFFFAOYSA-N 433.486 1.308 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](CO)c3cc(F)ccc3F)C2=O)cc1 1653742261 XACCURRKEJAAEG-MSOLQXFVSA-N 428.395 1.891 30 10 IDEE N#C[C@]12CN(CC(=O)NCc3ccc(COc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1655770648 LKMCVYLNYSHWEZ-NZQKXSOJSA-N 439.537 1.752 30 10 IDEE N#Cc1cccc([C@H](NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C(F)(F)F)c1 1659903510 KZTQEDXDTZJSBB-SFHVURJKSA-N 438.431 1.988 30 10 IDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCO[C@@H](CS(C)(=O)=O)C1 1660391558 DACBWNSNBIRLII-UONOGXRCSA-N 425.576 1.961 30 10 IDEE COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1663904223 FAQFCGHXTCQKDX-UHFFFAOYSA-N 434.392 1.959 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC2(C#N)CCCC2)C1 1674097209 DCZDXZVFQZBQMS-HNNXBMFYSA-N 428.555 1.794 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)C1 1680972570 BBFZXSKHCAEERA-BRWVUGGUSA-N 447.540 1.644 30 10 IDEE CC(C)C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(=O)N1CCOCC1 1683383534 ZVSJGCRICDIRSG-NRFANRHFSA-N 429.565 1.905 30 10 IDEE N#Cc1csc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1684392807 FXOMIQKSBRPEFQ-UHFFFAOYSA-N 449.514 1.002 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 1687502445 CKZWGWIPPADRRD-ZDUSSCGKSA-N 434.440 1.441 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1689924937 ZPDSAHCVMHNRPI-OAHLLOKOSA-N 425.518 1.993 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1689991312 ZNTYODRYRAWXBO-KRWDZBQOSA-N 430.578 1.835 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1690034427 HYAFEBSKJHQRGY-JOCHJYFZSA-N 431.606 1.830 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N2CCOCC2)CC1 1690117412 GWDSNIMJZXNHBJ-QGZVFWFLSA-N 429.956 1.469 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC2(O)CCOCC2)CC1 1690129520 ZVHRYSXPWCLFBG-UHFFFAOYSA-N 439.560 1.564 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690183027 KLJZIFVWTCAPDT-GOSISDBHSA-N 443.577 1.177 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690451539 JERVLERQKXYVHN-RDTXWAMCSA-N 426.543 1.276 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690725500 SBVLCWIUOQHSQS-LJQANCHMSA-N 445.589 1.996 30 10 IDEE Cc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(C)c1 1693077151 AQOPHHVNRXTPQV-OALUTQOASA-N 429.546 1.769 30 10 IDEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCO1 1693579722 IAUFUBISMOCUAO-MJGOQNOKSA-N 438.532 1.927 30 10 IDEE O=C1CC[C@H](c2nnc(N3CCCCCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)N1 1698523953 YFFSCZQNZJYTNM-MEUCICPISA-N 427.509 1.526 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1705574043 STETXDLZXRCLJC-OAHLLOKOSA-N 448.618 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@@H]1C 1705575248 DOWGPICFRJODPQ-INIZCTEOSA-N 445.365 1.840 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 1705700797 YQQCMLYMFKPVKC-XIRDDKMYSA-N 425.555 1.191 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1 1705856893 JZWOAQZAPWHEBM-IBGZPJMESA-N 441.532 1.842 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705903446 WMDMDEAFJIHYBN-CVEARBPZSA-N 432.550 1.817 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1705918281 GERLQHRUYVFCLQ-QRWLVFNGSA-N 436.509 1.415 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1[C@@H]1C[C@H]1CF 1706162238 UZSOZPFDXORBCG-CAOSSQGBSA-N 436.488 1.846 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)CCOC1 1706679572 KQBZQEUFFIWPTL-MAODMQOUSA-N 431.493 1.548 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1711015985 VTDKDOCZGOFFBV-SFTDATJTSA-N 440.548 1.779 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)n1 1722299297 OCLGBDCASPHQFQ-GOSISDBHSA-N 434.548 1.878 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722306806 OHDRIQFETOZQNR-FQEVSTJZSA-N 427.597 1.534 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](COC)OC)c1 1722308939 HZPSPISSQGOUFM-IEBWSBKVSA-N 427.505 1.500 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1722314458 NZFNLXIJLVGUJU-ROUUACIJSA-N 427.553 1.850 30 10 IDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1722316713 LSXJTKBDTZHLCW-QGZVFWFLSA-N 446.552 1.716 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722370117 GNXUPVMRKYDGPI-UHFFFAOYSA-N 448.527 1.102 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1722370558 CLLXWQADRNFTMH-CQSZACIVSA-N 436.488 1.633 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1722402798 ZMYXAWNDYMAYDM-KRWDZBQOSA-N 438.536 1.990 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCNS(=O)(=O)Cc1ccon1 1722470673 UBVJVHDKVMCVFK-HXUWFJFHSA-N 443.533 1.383 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722535604 LMYXANRXHGNYGG-SPEDKVCISA-N 433.553 1.766 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722600657 RJUAVOFJESGERX-GOSISDBHSA-N 429.569 1.330 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCc2cccnc21 1722641280 ZKIYDTSNBAXRQX-ZWKOTPCHSA-N 446.577 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722726023 XCIDWZFCJJKJGU-QGZVFWFLSA-N 432.550 1.246 30 10 IDEE CC(C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1723418557 KFAHPZMRVUWQLK-ZPHPHTNESA-N 438.492 1.544 30 10 IDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1(C)C 1726760365 MEWGXVILTCOOHL-PBHICJAKSA-N 437.504 1.809 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740622869 KCYLUOBTMYSWHV-KRWDZBQOSA-N 430.534 1.179 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1740631053 OICONYRANUTORO-OAHLLOKOSA-N 435.937 1.694 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740792321 WSOJBFVMBYXEKF-GOSISDBHSA-N 429.525 1.099 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1740897865 XPLRROFQWJXAIT-HSZRJFAPSA-N 437.548 1.754 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1740932483 OXYCVOPUPRCSQG-RTBURBONSA-N 436.626 1.385 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCOCC1 1748242497 CSZOORFAZBQXOH-KRWDZBQOSA-N 425.537 1.500 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1748678536 VLZUPDIRIRDJIQ-ROUUACIJSA-N 425.533 1.830 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)COc1ccccc1OC 1748790852 NRJTXIAQJUXFQC-IAGOWNOFSA-N 432.546 1.973 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)NC(C)(C)C)CC1 1748993006 MVXLQFNGHFNKIZ-UHFFFAOYSA-N 438.576 1.938 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)SC)CC1 1749001270 OPGGCQDWTYDNFD-OAHLLOKOSA-N 441.561 1.643 30 10 IDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749401644 BLPPTIXHQLUHJL-IBGZPJMESA-N 432.569 1.119 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2cc(C)nc21 1749489659 ZCPREXFNVUJWOS-SJORKVTESA-N 449.581 1.316 30 10 IDEE C=CCn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCNS(C)(=O)=O 1749609129 BFLCJPZIKNAJLX-UHFFFAOYSA-N 444.355 1.888 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749676288 LEYWPTQNLKVUHU-KRWDZBQOSA-N 441.467 1.580 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(COC)n2)C1 1749693422 IRBKRYVKFFKEDQ-INIZCTEOSA-N 432.550 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(N2CCCNC2=O)CC1 1749721300 GDLWVKOZGBUVFG-MRXNPFEDSA-N 438.598 1.777 30 10 IDEE COCCOC1(Cn2c(-c3cccn3C)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1750028608 XRHWVNYITRWLMS-FQEVSTJZSA-N 432.500 1.938 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750049314 HILHHZBBUXKGPB-OSCRUYLVSA-N 430.509 1.314 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1750385839 BLYXUFVRRZWAQW-CYBMUJFWSA-N 445.409 1.990 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C)CC1 1751220543 DZDWVCDDRRVZPM-HNNXBMFYSA-N 444.565 1.282 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760183361 ORJJDVZVGQYORV-PBHICJAKSA-N 433.490 1.515 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C(C)C 1760202107 SKTFOMBBPVOQRC-UHFFFAOYSA-N 431.500 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760211759 LSPFHUBMSSWVIX-NZQKXSOJSA-N 440.569 1.833 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1760516567 QQJVEQZJVZHRHZ-HUUCEWRRSA-N 430.484 1.526 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760696782 UHXXOZHITAMIFS-BRSBDYLESA-N 436.582 1.582 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1760835096 FSCZQIOYXLBNPL-GOSISDBHSA-N 433.520 1.735 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC(F)F 1761881074 PRBOTYZXUNBMDZ-CQSZACIVSA-N 432.479 1.766 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@]2(CCCOC2)O1 1763081178 BXYHCVVIQKPJGT-WZONZLPQSA-N 441.532 1.990 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCOCC1 1764188758 WBOZFDSYHRVDDU-GOSISDBHSA-N 433.557 1.038 30 10 IDEE Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC=C(Br)C2)n1 1767531224 BUHPBGMJDPEZDD-UHFFFAOYSA-N 426.282 1.877 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@@H]1C 1769499934 JVGKPAIATIWFKZ-SJORKVTESA-N 441.536 1.956 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(O)CC1 1770043452 WGQAWLWIEXDLIR-INIZCTEOSA-N 444.511 1.864 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1770317549 UXYUOAPDONQLCO-GOSISDBHSA-N 449.602 1.946 30 10 IDEE COCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1770981499 BIOVFQGNKWIXOG-GCJKJVERSA-N 441.536 1.163 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1771304899 NHIPCVWRYRXOFM-IHPCNDPISA-N 426.521 1.845 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1772567026 TYLXJTZITPGYLK-KSFYIVLOSA-N 429.496 1.711 30 10 IDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1772884369 JTMZBNVZILYJIU-UHFFFAOYSA-N 433.534 1.229 30 10 IDEE N#Cc1cc(CNC(=O)CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)ccn1 1852161522 GXINFLHVYUNMJO-UHFFFAOYSA-N 427.505 1.791 30 10 IDEE COc1cc(CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC 1852619925 ARVLZQPMXIZLQV-UHFFFAOYSA-N 440.500 1.887 30 10 IDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@@H]1Cc2cc(F)cc(Br)c2O1 1853196873 PJNSLNGPPPPJMC-NSHDSACASA-N 438.209 1.578 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1 1856398134 UNCCLGUGALLKRO-CRAIPNDOSA-N 436.509 1.342 30 10 IDEE Cn1ccc2cc(C(=O)N3C[C@H](C4CCN(S(=O)(=O)CC#N)CC4)CC3=O)ccc21 1857042088 RPPCRAFANDPBNM-GOSISDBHSA-N 428.514 1.732 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862131142 DKGXKBGAFMRVBA-MRXNPFEDSA-N 433.505 1.538 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC(C)C)cn1CCCN1CCOCC1 1870512278 UZLQNVFEVZILOK-UHFFFAOYSA-N 446.592 1.648 30 10 IDEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN(CCO)CCO)cc1=O 1870563564 GRUMPRARYGIHAI-HSZRJFAPSA-N 439.556 1.484 30 10 IDEE CCOC(=O)c1sc(C2=C(N)N(CCN3CCOCC3)CC2=O)nc1-c1ccccc1 1873528662 FFPUSXHXBSACAV-UHFFFAOYSA-N 442.541 1.831 30 10 IDEE C=C(CS(=O)(=O)NC[C@@H](CNC(=O)OC(C)(C)C)OC)B1OC(C)(C)C(C)(C)O1 1901536930 KJGYJMSRGURXSM-CQSZACIVSA-N 434.364 1.633 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1918777398 OCDPPAPMEKJDKZ-GFCCVEGCSA-N 427.361 1.965 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243384882 YITPDQOVOSDEJF-CYBMUJFWSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2247951995 LHRPXSDQDJBYTD-UHFFFAOYSA-N 438.355 1.883 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2255649422 TZQRBJMDCLPEJW-FQEVSTJZSA-N 440.346 1.727 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)n1 2255654449 XEHMGNRGNLLDOZ-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256613908 KLRYFKRUQJRQQQ-RHSMWYFYSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2312642326 MNYUNINJPOWOJV-XHSDSOJGSA-N 435.330 1.134 30 10 IDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 2329013204 WOUBWWSUABUOHN-ZDUSSCGKSA-N 432.506 1.176 30 10 IDEE CC(=O)NCCCN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(C#N)cc1 31464893 BRIUZNZVPVKNQC-UHFFFAOYSA-N 432.484 1.835 30 10 IDEE C=C(C(=O)OC)[C@@H]1[C@H](OC(=O)Cc2ccc(O)cc2)CC(C)=C2C(=O)C=C(CO)[C@@H]2[C@H]1O 85942964 DDNQXWHGQQEAOE-QQUTXWOLSA-N 442.464 1.391 30 10 IDEE biogenic Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccncc2)c(C)n1 102741239 KTFXULDRYYJNEC-GOBJLOIFSA-N 437.500 1.632 30 10 IDEE COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)[C@@H](C)n1cnc(C#N)n1 409864057 JKJGUVBGGMPWAZ-QMTHXVAHSA-N 445.277 1.855 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)N=c1ccn(-c3ccc(C#N)cc3Cl)[nH]1)C2 432437239 PASGSKKUHFRQCS-VBKZILBWSA-N 429.864 1.863 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)C2=O)cc1 436728552 AXPLTRUHOPNOGW-PMACEKPBSA-N 432.480 1.786 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 460767513 FUIJNDJOWQXAFU-HNNXBMFYSA-N 445.549 1.932 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 462467948 WZTWSUYVGVVZJA-UHFFFAOYSA-N 437.953 1.443 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 482323851 ZTHYBIYYTKAJGU-XJKSGUPXSA-N 437.468 1.471 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)ccc1F 497313501 UROQUSKLJJVNDB-FQEVSTJZSA-N 428.489 1.809 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 505930372 NJAFDVHQCJKTHT-IBGZPJMESA-N 442.545 1.102 30 10 IDEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)NCc1ccc(OC)cc1 507538939 XFYOTZNTZGPPKJ-UHFFFAOYSA-N 427.486 1.625 30 10 IDEE C=CCn1c(-c2cccc3cccnc23)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508900544 BHVOTHTVXJICHS-UHFFFAOYSA-N 447.543 1.660 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 513408637 OLRVIQHRUZQSNN-UHFFFAOYSA-N 437.499 1.394 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1C[C@H]1CCCO1 520063262 XTARCHZVONLOAD-CQSZACIVSA-N 449.935 1.909 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 523742964 GCKBMSFMGKBGFA-UHFFFAOYSA-N 442.537 1.836 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C(C)C)c1=O 530318161 BBLXZNFFKNAVPT-UHFFFAOYSA-N 442.541 1.513 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)s3)c2=O)CC1 530892804 CAUYVQMLPYCOHH-UHFFFAOYSA-N 438.578 1.982 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 542421237 MYNBTWQILSTJAJ-CWLKWCNXSA-N 431.445 1.540 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545489739 JDLFZPAZLPUTHI-UHFFFAOYSA-N 427.530 1.587 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 562007049 UHIFOCOFTCQYPF-QGZVFWFLSA-N 435.550 1.382 30 10 IDEE CON[N+](=O)CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 585088964 QYYYIHRLCWKSAG-JXFKEZNVSA-N 433.510 1.760 30 10 IDEE COc1cc(CN2CC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2)cc(OC)c1 586864075 JMPIRDJXNHBLNS-SFHVURJKSA-N 440.475 1.721 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609001455 GLRHRBGMBYZNCI-IBGZPJMESA-N 427.553 1.164 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 609042422 WDPYPAIRMQUSNW-IBGZPJMESA-N 444.557 1.223 30 10 IDEE C=CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 619563319 CHSMBEQEWPXGMU-INIZCTEOSA-N 444.575 1.298 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCS(C)(=O)=O)c1=O 729673658 ZYQJTNDFQGHHJU-UHFFFAOYSA-N 430.551 1.135 30 10 IDEE CCOC(=O)N1[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1c1ccc(C)o1 736558818 AXLYCKRJQBGHIJ-NYAYQYMKSA-N 430.461 1.893 30 10 IDEE CN(CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CC(F)(F)F 744150807 DHPGYMNPGBEVHH-UHFFFAOYSA-N 433.452 1.996 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2ccn(C)c2)C1=O 748095548 NLJXFPBIOLJGKV-YPYXJLKGSA-N 442.589 1.531 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 765662636 UXSNNPQTSDPYKH-UHFFFAOYSA-N 447.543 1.562 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccsc1 783061204 HXUKHORWXMRIDC-SNVBAGLBSA-N 447.468 1.514 30 10 IDEE C[C@H](CONC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 783662908 MIRYDQQGYBFANT-GFCCVEGCSA-N 426.495 1.076 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCn2ccnn2)C1=O 784127144 IBQJQVWUTULYIY-KRWDZBQOSA-N 447.540 1.507 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 794579505 LBJXKZHLBLLBHR-HUUCEWRRSA-N 445.566 1.353 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 799836861 GETLLSNPSJCQHQ-NCELDCMTSA-N 445.545 1.884 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 813564237 XHZBWEYAHJGGDQ-YOEHRIQHSA-N 444.561 1.082 30 10 IDEE Cc1nn(Cc2ccccc2)c(C)c1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 917355897 PMCHOWCOTVNXDU-HXUWFJFHSA-N 445.548 1.977 30 10 IDEE CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 918376960 IZTMOTTVHIIGBW-GOSISDBHSA-N 428.558 1.794 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)COc2ccc(C#N)c(Br)c2)C1=O 1126808769 JGJUPAVNOBLYGU-SGTLLEGYSA-N 435.278 1.536 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CCN(C)CC1 1134262721 OAAMHVLNXAYKHN-GOSISDBHSA-N 445.541 1.180 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 1136684610 SFDTWUDANJPQBV-CQSZACIVSA-N 437.338 1.620 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)C2=O)cc1 1140112224 VPGPNXVXXKPAGS-QFIPXVFZSA-N 430.424 1.865 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 1140248923 UXIYRAQAJQEJCI-OALUTQOASA-N 448.541 1.993 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)nc(C)n3C(CO)CO)c1 1140736839 UXCDBZBIMVWTSN-UHFFFAOYSA-N 441.509 1.920 30 10 IDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)CCOCC1 1141669650 RRQQDDUUEWRATJ-UHFFFAOYSA-N 434.518 1.474 30 10 IDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(=O)OC 1141995101 IHRIFNNXUGHFBI-FQEVSTJZSA-N 432.542 1.647 30 10 IDEE C[C@H](C#N)C(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1148872666 YBXSXNMEYRWOIH-LZQZEXGQSA-N 426.473 1.979 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@](C)(C#N)C3)CS(=O)(=O)[C@H]2C1 1152085858 RXKUTODMUQLNIR-IHSNIMORSA-N 425.551 1.809 30 10 IDEE C#C[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1 1159762824 QDCXWDTXWUEEFT-AWEZNQCLSA-N 437.315 1.998 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCC[C@H]1C#N 1175251367 XDMICNYPYGHKNM-MAUKXSAKSA-N 435.506 1.052 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCCN(CCF)C3)nnc12 1183850195 SIECIGHFFNINTC-HNNXBMFYSA-N 444.536 1.872 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)nn1 1193476485 UEPMKNSCSHUULL-UHFFFAOYSA-N 431.518 1.596 30 10 IDEE C#CC1(O)CCN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 1224398292 QQWOTPKRBVMFCY-UHFFFAOYSA-N 438.507 1.612 30 10 IDEE C=CCC1(CNC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CCCC1 1228269593 DIIKFOSOPAOVRJ-QZTJIDSGSA-N 428.599 1.804 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@](C)(CC)O1 1286297304 VOWPMTHLIHMZCG-CLWJZODNSA-N 439.582 1.417 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1286473454 SUXNUILIAOAMOQ-XMMPIXPASA-N 444.624 1.807 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)CC1 1286562512 GQVKJNODJDDDSK-UNMCSNQZSA-N 443.596 1.889 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286565889 QFNWJQPSLFIZMM-SIKLNZKXSA-N 430.597 1.858 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286712136 ZHJAWBAPFONPSL-SFHVURJKSA-N 448.593 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)NC)CC1 1286784626 OFMZAQVOMRLPQQ-UHFFFAOYSA-N 434.504 1.257 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1286817236 LGIFJZNEZZNTIA-MRXNPFEDSA-N 447.627 1.110 30 10 IDEE COCCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1293137698 PGEGSSBMFWSICJ-KRWDZBQOSA-N 428.551 1.299 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)c1 1299291936 DVINPLAARCYDDS-UTKZUKDTSA-N 444.561 1.868 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1299305019 CBWONBZTSCYCSS-UHFFFAOYSA-N 438.517 1.325 30 10 IDEE COc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1300083296 IVUVSOCJSPBZON-RLBWVDARSA-N 438.488 1.705 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1300410725 PYVUSRWFSPFHES-CABCVRRESA-N 433.500 1.666 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1300466321 VZXYHZRBUUXINI-OAHLLOKOSA-N 434.541 1.428 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1300578276 KETQZHXWSQEUKW-WOJBJXKFSA-N 447.605 1.144 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1300631821 WFUABVLXFLJUSO-IBGZPJMESA-N 442.589 1.951 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1300666067 SKESLTZKOIYNDD-UHFFFAOYSA-N 448.568 1.567 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCn3ccnc32)CC1 1300682292 JZHKJZGBPRCXKW-GOSISDBHSA-N 438.580 1.726 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1300684908 CKOWMSSDSPRIOX-APWZRJJASA-N 425.480 1.110 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCS(C)(=O)=O)CC1 1300701399 RCZFMDKLCMPLRS-UHFFFAOYSA-N 437.516 1.337 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1301021775 IUNXCZZQGDFKCJ-OALUTQOASA-N 441.536 1.427 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)SC)CC1 1301085858 CAAHSNGJTLCUCX-OAHLLOKOSA-N 429.612 1.909 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1301484136 BPLJOWSDGGHING-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301491989 UGSOCBOEIVOKQF-UHFFFAOYSA-N 449.515 1.943 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)nc2)C1 1301538220 GHFHSAXTBFRKHH-UKRRQHHQSA-N 440.957 1.766 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1301585452 BCOYVNLPKSPRPP-QFBILLFUSA-N 431.562 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301586828 ORFBHZLKRNBNGR-HDICACEKSA-N 434.518 1.062 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)CCO1 1303004198 ODLDKHPKNYYINF-ZDUSSCGKSA-N 444.297 1.513 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1303435887 HGGYPUGLBDJBNC-UHFFFAOYSA-N 439.564 1.888 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C2 1313190888 OEUGYYWCAIECBV-MRXNPFEDSA-N 445.467 1.186 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1314552181 MGLBPZMULSQWPF-LJQANCHMSA-N 438.504 1.779 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1O 1315109246 OVOXKLQEAKYTKQ-LEWJJULVSA-N 439.516 1.728 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1315652856 AQKKKCWWWLQDOW-ZWKOTPCHSA-N 443.504 1.790 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1316284500 FQWXUYBCTVCOLZ-OSPWBOOKSA-N 444.536 1.763 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOC2=O)CCO1 1316540948 PKLLQMZJZFUCPW-AWEZNQCLSA-N 432.431 1.718 30 10 IDEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1349662493 VELYTGGNVRLVSS-UHFFFAOYSA-N 433.511 1.732 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 1352234507 FWPIQMJJCDQSAH-OAHLLOKOSA-N 426.452 1.748 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1358965640 YRAOQKDIPIRVFV-KRWDZBQOSA-N 449.602 1.566 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1359281655 GSDVIXUXLQWTBS-NSHDSACASA-N 443.314 1.807 30 10 IDEE CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccn1 1359596202 DIQLQRHCYPQFAA-HZPDHXFCSA-N 430.534 1.282 30 10 IDEE CC(C)NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1360291874 HAEKQGDJCCUGSI-MRXNPFEDSA-N 439.568 1.768 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1436929033 BLGRXRLZHMAYAE-VRHCTWJESA-N 436.306 1.923 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1443496317 ZBDUFRSJJSDFIY-BQHGXPCASA-N 438.521 1.146 30 10 IDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 1444356443 MZFJFHRKKUWTCX-OLROSQPISA-N 435.615 1.866 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)c2nscc2I)CC1 1450478000 VQIPDAQFFXNVJQ-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 1457929599 XFJXRVLWVMCVNY-MOPGFXCFSA-N 445.545 1.491 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCc2nc(C#N)cs2)cc1 1472144776 RWJHTRJIGPROKZ-NVXWUHKLSA-N 434.543 1.578 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(=O)c1C#N 1472554426 JXXBTDCOEPTRFP-LLVKDONJSA-N 443.257 1.854 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc4cc[nH]c4c3)CC2)cc1 1473267428 WBJKAQJLQJILKY-LJQANCHMSA-N 440.525 1.786 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCCO1 1497056047 MMTWAFWCXXNTMQ-RTBURBONSA-N 429.569 1.942 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1504994071 IXENRKTUCPKSRQ-AEFFLSMTSA-N 447.584 1.483 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1507632401 KSNPAYOEOCQHEB-IAGOWNOFSA-N 433.578 1.682 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1507637733 MMFAAUWOIHQWSU-HZPDHXFCSA-N 435.575 1.878 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)CC1 1507730924 ZFZFQZRRHCOBIS-ADSBAMQRSA-N 429.546 1.314 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(=O)N(C)C2CCCCC2)CC1 1507741022 JPEAJZGPVMDXDU-UHFFFAOYSA-N 444.580 1.572 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507791070 HCMRKVBUPCBLJG-ZIAGYGMSSA-N 448.387 1.804 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507844109 BZMRJDAXCFHLBI-GOSISDBHSA-N 429.525 1.699 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccc(C(F)F)n1 1507981237 JJYBUCWOYYCUAF-CYBMUJFWSA-N 443.480 1.009 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1508048725 NJKRZLSCCVDBLV-QGZVFWFLSA-N 439.630 1.069 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1509090766 ACJWUPUTHOUBQT-NZQKXSOJSA-N 440.548 1.657 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1514382253 HXQXFMZSDHVZRH-GOSISDBHSA-N 432.550 1.761 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1517039095 SGXPMJPBCQLENS-JLUOLNIDSA-N 433.472 1.568 30 10 IDEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 1521867325 UVUCFLJWYLLCMA-UHFFFAOYSA-N 432.473 1.789 30 10 IDEE N#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccn1 1530336704 RDFPZWJPPGKWJJ-UHFFFAOYSA-N 442.497 1.810 30 10 IDEE Cc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cnn1CCC#N 1536099316 ZRUWIDBMOCFONU-UHFFFAOYSA-N 446.533 1.444 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C/C=C\CC)c1 1539037945 JMDJHIDTWJKCHP-HLRDLLSLSA-N 444.561 1.911 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539200510 JGBOKFRCCVKOHU-INIZCTEOSA-N 433.509 1.230 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539230569 OIOHNOFYHBSFCA-MSOLQXFVSA-N 432.546 1.827 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C)COC1 1539415579 FTTYHAYSVGPURO-UHFFFAOYSA-N 425.537 1.575 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCC2(O)CCOCC2)CC1 1539444807 UNNNKGVSPYHKHW-UHFFFAOYSA-N 425.533 1.641 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1539445918 KJLLBMVZPPDAPL-SJORKVTESA-N 445.568 1.288 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)CC1 1539446036 OONYOKBLXXMKHI-IAGOWNOFSA-N 427.578 1.349 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)CC1 1539453869 SVOBKVSTUCARPS-UHFFFAOYSA-N 437.523 1.654 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1540133638 MHHPWBWIVYNSBV-GOSISDBHSA-N 447.561 1.329 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1540201706 YURFGKMEALGSDL-AVRDEDQJSA-N 427.505 1.908 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1541106537 XXQAWAVDNBZSTD-IIBYNOLFSA-N 434.541 1.197 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNS(C)(=O)=O 1545533829 SGKYVCDFRWUXGL-INIZCTEOSA-N 446.581 1.324 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1545534737 QIQWEEWQPBTBHY-UHFFFAOYSA-N 446.451 1.348 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1Cc1ccc(C#N)o1 1545864199 LTEAKNVKGOITJA-NRFANRHFSA-N 427.509 1.672 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1548200429 GQINXFWCQCDLMZ-GOSISDBHSA-N 446.577 1.961 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@@H]1CC 1548281434 YOBAGPOUAJPIFO-FQEVSTJZSA-N 439.564 1.842 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1555385520 GAOFLDLEWVOHJT-FXAWDEMLSA-N 426.521 1.389 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1555803550 RQNGBGIXQBWRAF-JKSUJKDBSA-N 431.474 1.366 30 10 IDEE CS(=O)(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555804213 NEUHJTYGHMCKNZ-CQSZACIVSA-N 446.533 1.142 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC#N)CC1 1555816461 MJTSBOVRBBTFOW-UHFFFAOYSA-N 446.533 1.743 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3C)CC2)nn1 1564958407 RWBDAFIPIPSXPF-GOSISDBHSA-N 426.521 1.902 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1567949962 PCOQQROUCYLALE-ZQIUZPCESA-N 438.937 1.399 30 10 IDEE N#C[C@@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C1CCCC1 1583395867 SOJYJGRKZKOBQS-LJQANCHMSA-N 444.513 1.773 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCC1(N2CCOCC2)CCOCC1 1583404675 DUBNYPQUAICRNJ-UHFFFAOYSA-N 438.322 1.697 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)cc(C(=O)OC)c2C)C1=O 1585384586 OHIMXOFOQHXVFI-UHFFFAOYSA-N 438.234 1.459 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1587632002 HPQRODDLUBJVGX-SJORKVTESA-N 443.556 1.927 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)F)c1 1587693695 WCOARQXUIGXUGY-HNNXBMFYSA-N 446.458 1.220 30 10 IDEE C#Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)cc1 1587967654 KWDFJCCZKMBZLK-QGZVFWFLSA-N 430.482 1.907 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1588055226 UDJHKOYYLNUGKX-PMACEKPBSA-N 444.557 1.603 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OCC 1588122612 QDILOXSIFAHTHX-SECBINFHSA-N 446.689 1.083 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1588186354 WJINUSKGVZOPAM-LGVFNWMJSA-N 443.592 1.892 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)cc(Br)cc2Cl)CC1 1588199525 SJJRHAPJTROGEV-UHFFFAOYSA-N 434.743 1.636 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1588219154 NIMSIWVTMIPOKP-UHFFFAOYSA-N 436.438 1.963 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1588637720 JUWVHXYVYMOPPG-YJBOKZPZSA-N 439.516 1.696 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)CC1 1588908495 RMKYFWDIGRUCSE-FQEVSTJZSA-N 436.516 1.444 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1588993206 GXLBAJBXCZQZDF-UHFFFAOYSA-N 449.602 1.792 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1589150987 OVSYTAHCQPRGSH-JLTOFOAXSA-N 431.518 1.657 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1593747434 WDIZQEFBNDBLKG-JKSUJKDBSA-N 426.539 1.162 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1595115379 ICABJJRGCMHKDT-RXVVDRJESA-N 432.546 1.524 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595838004 ILPAZIQSXKHAGI-UHFFFAOYSA-N 432.594 1.882 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1 1608111982 GDLOJJZGVZYHKM-IRXDYDNUSA-N 439.509 1.675 30 10 IDEE Cn1cc(-c2nnc(N3CCC(F)(F)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1618391072 NOCQDEWBQUCASB-ICFOKQHNSA-N 432.435 1.441 30 10 IDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1619839608 BEGUXACDYJKTLC-UHFFFAOYSA-N 429.500 1.790 30 10 IDEE CS(=O)(=O)CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1620160748 QSPPQZGNVOQNIH-SFHVURJKSA-N 426.518 1.171 30 10 IDEE C=CCNC(=O)c1ccccc1NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1623826190 GJYQTMKAWSXCKO-KRWDZBQOSA-N 437.905 1.534 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1624817548 SGZSTNVRSZGMNZ-PXNSSMCTSA-N 440.481 1.903 30 10 IDEE C=CCC1(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CCOCC1 1628812571 XZYSAROXPAXBCA-UHFFFAOYSA-N 437.562 1.688 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1630765454 DSLUFPLSOCZGMS-IBGZPJMESA-N 441.532 1.944 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Nc2ccc(C(C)=O)cc2)CC1 1632966333 LUPLQXRVGWYJCQ-UHFFFAOYSA-N 440.525 1.858 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1632972570 ZOKNMDGQSJLYNT-UHFFFAOYSA-N 442.321 1.759 30 10 IDEE CN(C)CC#CCNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1634681772 GXLCSWBWTARASP-OAHLLOKOSA-N 435.491 1.334 30 10 IDEE C=C(CN(C)C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1634741698 VRBJEGBRNVSBDM-HNNXBMFYSA-N 430.368 1.836 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CC2(CCOCC2)CO1 1635878253 WSTONSZILICVKW-AEFFLSMTSA-N 449.573 1.842 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1640636782 COXDUUVBXRHKGM-CVEARBPZSA-N 443.447 1.342 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC(Cc3nc(C)c(C(=O)OCC)s3)CC2)CC1 1644332304 CWEDMNFCRXFKOK-UHFFFAOYSA-N 432.590 1.660 30 10 IDEE CN(C[C@H](O)c1cccnc1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1647517549 MMEBJYNYSDEHFR-SFHVURJKSA-N 430.530 1.873 30 10 IDEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1654837591 ILBXDRCXCJNMIT-UHFFFAOYSA-N 429.586 1.744 30 10 IDEE C[C@]1(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)COC(=O)N1 1655613646 JPJRSTXOAPGSON-LAUBAEHRSA-N 431.562 1.667 30 10 IDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1655958891 WAPMGGPJSBZFIX-UHFFFAOYSA-N 432.340 1.908 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccccc1 1657641204 LMVQWPQXNDRRCU-PKOBYXMFSA-N 447.538 1.648 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 1658788203 NCGLDMCBDWCOQF-AYHJJNSGSA-N 426.583 1.250 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(C#N)cn1CC 1662775266 BMARZSNJMUGXOC-AUUYWEPGSA-N 438.506 1.414 30 10 IDEE C#C[C@@H](NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)[C@@H]1CCCO1 1665314607 OBEPUYVKXMPWEE-CVEARBPZSA-N 432.525 1.654 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(C(=O)OC)c2Br)C1=O 1668857883 JJPQUVGHDFSIHU-LBPRGKRZSA-N 431.308 1.643 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1673834901 GWHCHESYKZCHFS-QGZVFWFLSA-N 426.498 1.625 30 10 IDEE CC[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1cccc(S(N)(=O)=O)c1 1684052883 HIGNWADCZJWUDA-IBGZPJMESA-N 428.518 1.584 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)C1 1685267230 UPPPQXULVBBHSG-QKBUSNMPSA-N 433.549 1.637 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1689966000 IILLEVOJIWURKN-MJGOQNOKSA-N 431.562 1.561 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689996171 DOLBBVOPSHTOOW-QGZVFWFLSA-N 436.509 1.659 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1690013131 CKQSPYKOOXQTSB-UHFFFAOYSA-N 448.552 1.852 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1690058009 MMSHZDRLAPXHCQ-UHFFFAOYSA-N 438.580 1.659 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690484722 BWBVDKBEESMLLJ-KSZLIROESA-N 439.582 1.583 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1690642358 KZVOSKRDOUQIFR-BZSNNMDCSA-N 429.569 1.232 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1690780140 HJPVBCBUVUSKBI-MXLIYFDZSA-N 429.525 1.233 30 10 IDEE CC(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690979949 SAXJHGPPQVRYOI-KRWDZBQOSA-N 443.502 1.850 30 10 IDEE CCS(=O)(=O)NCCCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696498675 WVFJQWQYVSBSHM-UHFFFAOYSA-N 447.565 1.341 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)C1 1696942079 VIGWEIYNUJBEOE-HXUWFJFHSA-N 439.564 1.747 30 10 IDEE COC1(CCn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCC1 1697219697 HSVIXZPEIDLQCZ-UHFFFAOYSA-N 439.520 1.910 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCOCC1 1698062657 FJHWPKXDONSKMA-UHFFFAOYSA-N 439.520 1.425 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CO)CC1 1698520764 QNSGGNOGZUIIJH-VGVBMJIYSA-N 430.509 1.255 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1705494728 FAHPJGCUHGAWTB-IRXDYDNUSA-N 448.568 1.961 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1705522809 MPADEUUHUBDUNX-PMACEKPBSA-N 429.613 1.825 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1705561522 UQXPIINVZCTPQY-OKZBNKHCSA-N 440.566 1.055 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705564954 FZTFXXIYWRMNKW-RTBURBONSA-N 437.610 1.878 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705566068 LRQWDGYISKMEIR-LSDHHAIUSA-N 432.493 1.081 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1705568508 OTDOVKNJXRAROI-ZWKOTPCHSA-N 446.577 1.524 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1OC 1705603793 VWGSCGFSKUQPCU-ICSRJNTNSA-N 439.516 1.926 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)OC)CC1 1705899326 PFFGDUCCNJQJCX-UHFFFAOYSA-N 435.488 1.684 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCOC2)CC1 1705934807 YCZHJDNACSGYTD-IRXDYDNUSA-N 437.566 1.083 30 10 IDEE CC(C)COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1706533278 ALQYWTHACZNECX-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1708663986 DLNDHPSBRWWDBK-RTBURBONSA-N 438.532 1.831 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](CC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1710455429 PMOWYHGOGRONLW-VTFIKYRWSA-N 444.536 1.693 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1711019572 GQADNDFKKBPXEB-RTBURBONSA-N 444.561 1.713 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)CC1 1712887233 YXORSUAGZQUWPP-FQEVSTJZSA-N 443.596 1.767 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCN(CCC)C1 1722345170 BGKXYJIZWFXKJQ-SFHVURJKSA-N 444.605 1.997 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1722362088 RXQDBNSCASYVFM-MRXNPFEDSA-N 442.545 1.817 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722493374 HOFUNRALHMWLRN-OAGGEKHMSA-N 425.555 1.021 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1722565987 HCEFFOOJUDUAGH-QGZVFWFLSA-N 435.594 1.985 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722685116 QMTCYHNZTMYKPX-UHFFFAOYSA-N 429.525 1.182 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)C1 1722696624 QTADWPDSCPWPKH-UHFFFAOYSA-N 433.310 1.288 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@@](=O)C(C)(C)C)C1 1722710227 FSICHYSUYKAJIX-SLBZEPJWSA-N 447.627 1.217 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(C)(=O)=O)C1 1722720401 KTQNRMRKERWRLR-AWEZNQCLSA-N 439.563 1.096 30 10 IDEE CNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1729654054 DYOCISZUVLFIMC-HSZRJFAPSA-N 435.532 1.938 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740600333 LPOOYXYAJCJVFG-WMZHIEFXSA-N 443.548 1.975 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1740622175 AHBQXYFNAKYYLC-IEBWSBKVSA-N 433.578 1.431 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1740622177 AHBQXYFNAKYYLC-PKOBYXMFSA-N 433.578 1.431 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1740627581 RAMWVAYPJZYJJP-LMMKCTJWSA-N 435.594 1.282 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCCN(C)C)CC1 1740694628 OZGHJPXHMKGMJJ-UHFFFAOYSA-N 449.559 1.934 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1740843238 BUFJDONQEQNUIB-HUUCEWRRSA-N 436.586 1.961 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCOC2)C1 1740866167 YQIWMZNBPJVYGY-FXAWDEMLSA-N 439.582 1.584 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1740940639 NRIIUTIABIHZKG-AWEZNQCLSA-N 438.330 1.527 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCc2ccccc21 1740951330 FLHXPJJRYMTWNH-PBHICJAKSA-N 432.550 1.314 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1740987912 OAGHUDKOYFWROP-MRXNPFEDSA-N 431.562 1.775 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1741907407 ZTIACWVPZMWYIG-MAUKXSAKSA-N 448.549 1.202 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CCC(C)(C)O 1743232856 IGWVIAYGUTZOBR-SJORKVTESA-N 440.552 1.710 30 10 IDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 1744705215 HTFFJVQSWDZOGN-UHFFFAOYSA-N 437.548 1.283 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1747433480 WVJCJJUKCMMQJC-QGZVFWFLSA-N 434.522 1.551 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1748815125 NQDXYWXDUWANQD-HNNXBMFYSA-N 433.534 1.823 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](COC)OC 1748940297 HKMQGVZVXNRAGZ-IBGZPJMESA-N 429.496 1.954 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCCN2C2CC2)CC1 1748978154 NLBBTAFGEZRWRM-FPOVZHCZSA-N 430.597 1.774 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1748990443 WTAMIUQNVQFSGW-IFMALSPDSA-N 438.576 1.849 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1749008761 BHBSKBAQMAYYRY-UFYCRDLUSA-N 445.564 1.537 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749031652 DQWPGIZETJEBAM-QGZVFWFLSA-N 448.618 1.814 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1749115086 LBHMKJXMNVRONJ-RTBURBONSA-N 442.568 1.906 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749462520 ZSEFWSBGUPVHCJ-IERDGZPVSA-N 432.525 1.537 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1749658847 WQAIYSROPXSDOP-CYBMUJFWSA-N 432.912 1.576 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749676586 VWSFTWAXDLZULG-JKSBSHDWSA-N 426.521 1.339 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1750000030 BQJUUWWHVCGFOT-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC(F)(F)F)CCOC1 1750062950 ZKERQTAEZPWRBP-CXAGYDPISA-N 432.447 1.593 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1750066070 GDXGRKNFQOQAND-CQSZACIVSA-N 447.517 1.209 30 10 IDEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)cc1 1751561001 YSGXOFDSDDDSBM-UHFFFAOYSA-N 432.550 1.845 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)CCC2 1751729735 GKDANLYJHJVGCS-PMPSAXMXSA-N 434.570 1.709 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[C@@H]1COCCO1 1760176738 SBNLDIQRJLEVJX-JOCHJYFZSA-N 438.576 1.518 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760187406 CYKUOYQTNBDSOJ-GOSISDBHSA-N 434.566 1.368 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CC[C@]3(CCOC3)O2)n1 1760252590 RYPGSBUNWZVMNV-SIKLNZKXSA-N 428.537 1.661 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NCc2ccccc2)CC1 1760381864 CISNPLPBXDFXJT-KRWDZBQOSA-N 446.577 1.751 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CCO1 1760669741 ZFBIPQFJDYPLIT-GOSISDBHSA-N 448.474 1.830 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccc(C(=O)NC)c2)CCOC1 1765817382 DNMKVJKRZKLABW-OPAMFIHVSA-N 426.521 1.934 30 10 IDEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1cccc(F)c1 1766886278 HWGFGAWDQPDFIV-RTBURBONSA-N 441.511 1.685 30 10 IDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CC1 1767155859 BRBDQDHZSYTBJQ-UHFFFAOYSA-N 436.564 1.171 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1767278137 BIMSPRGPNVALCR-UHFFFAOYSA-N 439.520 1.867 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1767689839 BYVXLLNPKRUVHR-GOSISDBHSA-N 435.532 1.694 30 10 IDEE CO[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769059329 DFCYDVWGJBOCKN-SJTPKYKMSA-N 430.509 1.314 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1769548000 DUOKBXSUZRLFKU-YLJYHZDGSA-N 433.534 1.228 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772791060 KFCRGXSKEXGXFG-IGJVIKARSA-N 436.342 1.726 30 10 IDEE COc1cc(/C=C/C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC 1860634927 KITJAJJWFPZHIE-VOTSOKGWSA-N 428.441 1.872 30 10 IDEE C=CCNC1=C(c2ccccc2OC)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863763415 RWXAJJXLIGNSPR-UHFFFAOYSA-N 427.482 1.398 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)N[C@H](C)CC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865725501 DQXGYXYXYRDMLK-CJNGLKHVSA-N 440.500 1.258 30 10 IDEE CN(C)CCCNC(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933574 JESWESCCFIWTNT-GOSISDBHSA-N 432.521 1.543 30 10 IDEE Cn1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1NC(=O)c1cccc(C#N)c1 1870080119 KEULKCWYVGSHQV-UHFFFAOYSA-N 445.483 1.990 30 10 IDEE CC(C)N1C[C@H](C(=O)Nc2c(C#N)nnn2Cc2cc(Cl)cc3c2OCOC3)CC1=O 1870108863 BGFHXAKSFIFRAA-CYBMUJFWSA-N 444.879 1.913 30 10 IDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N(CCOC)CCOC)ncnc21 1873562539 IEOBPVWKVYIXOJ-CALCHBBNSA-N 431.537 1.966 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2006263143 MELCZTPPUXAUGE-STQMWFEESA-N 425.345 1.935 30 10 IDEE CN(Cc1ccc(C#CCCO)s1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2100762099 IWEOKDJOEFTOQZ-UHFFFAOYSA-N 432.523 1.540 30 10 IDEE C[C@@H](NC(=O)OCc1ccccc1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2241554528 DIXOJHKBQUXRTJ-GFCCVEGCSA-N 432.311 1.513 30 10 IDEE Cc1nc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247906796 QIKPFBIFNKYDSB-LBPRGKRZSA-N 441.359 1.366 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2247914358 JUFNKBBRORKWRR-MELADBBJSA-N 426.319 1.070 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255598435 WQGPQRJVUFIAPV-CFVMTHIKSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)COC1 2255656244 YHMUAUNZZGTBSV-UHFFFAOYSA-N 436.314 1.850 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255700221 ZQZMOVBYSNZLAR-OKILXGFUSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](C#N)C1 2255709545 XLTCGMRUDNJIDW-HNNXBMFYSA-N 430.314 1.899 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824973 ROUPXGLVQXMOGR-UKRRQHHQSA-N 434.346 1.752 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2255875945 HGDFDGPXBCBALM-FQEVSTJZSA-N 435.334 1.244 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2267220054 IXNLJRJDLULJGD-JKSUJKDBSA-N 449.357 1.829 30 10 IDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC3(C2)OCCO3)OC1(C)C 2267464269 GWHOQKMWUQYVAG-UHFFFAOYSA-N 429.731 1.777 30 10 IDEE Cn1ncc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2270593235 XRLHVJDPQCXVGN-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE CC1(C)OB(c2nc(NS(=O)(=O)C3CC4(C3)OCCO4)ccc2Cl)OC1(C)C 2277958570 HWMHYIMBWNUFCE-UHFFFAOYSA-N 430.719 1.681 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F 2296614889 ACXFEQILUBEQRC-LJQANCHMSA-N 428.464 1.920 30 10 IDEE C[C@@H](C#CC(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1)NC(=O)OC(C)(C)C 2318678224 VPANAKORHNEMBO-ZDUSSCGKSA-N 447.454 1.277 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cn(C)c3ccccc23)CC1=O 2329013179 RJYJSOURLSMEQH-CQSZACIVSA-N 439.545 1.954 30 10 IDEE COc1nc(ON2C[C@@H](NC(=O)OC(C)(C)C)CC2=O)ccc1B1OC(C)(C)C(C)(C)O1 2339835094 NWTPTCQXJPYVLR-ZDUSSCGKSA-N 449.313 1.809 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(I)cc2)CC1 27558752 OWZQWEUMJDCXLU-UHFFFAOYSA-N 442.301 1.150 30 10 IDEE CN(C(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1(C#N)CCCCC1 32831404 LEANDRQXTYVKEN-UHFFFAOYSA-N 449.533 1.586 30 10 IDEE CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(C)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12 71789610 XITKXPNIDXEFHU-IOEPHAMKSA-N 442.468 1.061 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)CC1 250522772 MMDRRHIGVSAEPU-BDTNDASRSA-N 438.572 1.906 30 10 IDEE COC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cn(C)nc3C)[nH]2)cc1 253575676 UWZZSLKBRGOJHS-UFWORHAWSA-N 428.478 1.810 30 10 IDEE CC(C)c1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 426082290 XJYWYGOGCFHFLC-UHFFFAOYSA-N 447.542 1.610 30 10 IDEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 429257565 OALKKBFNWNYBHW-SFHVURJKSA-N 430.486 1.178 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 463344513 KMCUIDHVQHGUOF-UHFFFAOYSA-N 437.465 1.645 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCSC[C@@H]2CCO)CC1 470224522 SMEUCOVDCIPHCO-HNNXBMFYSA-N 431.518 1.255 30 10 IDEE C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 474702433 DBMLRWCQVKCURB-VGOFRKELSA-N 427.526 1.946 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1C#N 489119718 RHSKOUFWNDLVEI-UHFFFAOYSA-N 443.529 1.401 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 497577101 ZYIJOCXKSCWZPF-UHFFFAOYSA-N 445.610 1.812 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 505398714 YLWVSXGNJGHLLT-SFHVURJKSA-N 436.354 1.925 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 508054162 SRHAXUPYNOTDON-HXUWFJFHSA-N 435.532 1.623 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 513091809 CXYMFTFELOKAQI-JTSKRJEESA-N 427.526 1.778 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc4c3OCO4)c2=O)cn1 523865090 OGFWZYFUBFNPHJ-UHFFFAOYSA-N 448.504 1.716 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccccc3)c2=O)nc1 531630346 GEAGDCRMSWUTLY-UHFFFAOYSA-N 432.549 1.937 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)C1=O 541050676 ANRLKDQXYMLRKG-AWEZNQCLSA-N 425.363 1.582 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 549706365 QXKISVWDIQMHTH-CVEARBPZSA-N 427.571 1.438 30 10 IDEE COc1cc(N2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)ncn1 553517092 IJEBYIGVPVLDNR-UHFFFAOYSA-N 438.307 1.630 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC2)CC1 555498302 UKAUPGLOIJZKMZ-SFHVURJKSA-N 425.537 1.109 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC(=C)C)CC1 563825339 RRACZNIQTVEYFM-UHFFFAOYSA-N 425.493 1.854 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 572802513 FAWCYVOKIIXPKS-MRXNPFEDSA-N 431.470 1.634 30 10 IDEE COc1cc(CN(C)C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1 587647770 MJWVYSQVQZWVCE-UHFFFAOYSA-N 437.500 1.714 30 10 IDEE N#Cc1ccc(C(=O)NCCN(CCN2CCCCC2)C(=O)c2ccc(C#N)nc2)cn1 588011733 JZLWOMXTAWBLGV-UHFFFAOYSA-N 431.500 1.578 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 588958669 IANKOAUVIODESR-UHFFFAOYSA-N 430.461 1.784 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cc(Cl)ccc2N2CCOCC2)cc1 589510345 KACHIDCVHXPTME-UHFFFAOYSA-N 448.932 1.643 30 10 IDEE C=CCOC[C@H](O)Cn1c(N/N=C/c2ccc(C(C)C)cc2)nc2c1c(O)nc(=O)n2C 606629635 BZOSXGOROQGIMB-TVSCDJBNSA-N 440.504 1.969 30 10 IDEE O=C1NCCN(CC#CCN2CCNC(=O)[C@H]2c2ccccc2F)[C@H]1c1ccccc1F 671243195 SZOJJWBMZHPEJF-SZPZYZBQSA-N 438.478 1.614 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)C1=O 729314443 MAOAYTVAUUFJLK-UHFFFAOYSA-N 436.509 1.697 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729672146 ZEPVBUWCXWSTNW-MRXNPFEDSA-N 436.537 1.855 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 732153121 GAZUYPUMNBREPR-HTXNQAPBSA-N 426.454 1.838 30 10 IDEE COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732670275 WXFRMXNTCHMJMR-ZDUSSCGKSA-N 428.308 1.597 30 10 IDEE CCc1cnc(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 742712033 DHPNTOGGNMVZFF-CQSZACIVSA-N 447.586 1.871 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccccc1C 743725569 VAXHHNRFPDUCHP-UHFFFAOYSA-N 440.550 1.238 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3CCc4sccc4C3)cc2C1=O 750882098 ZESHGUQCCNVFTL-UHFFFAOYSA-N 431.495 1.563 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O 757459676 XPHJOQAJGRBXQX-CHWSQXEVSA-N 432.502 1.418 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)n1 788555501 RSOKUUQJRYIWGV-KRWDZBQOSA-N 434.522 1.061 30 10 IDEE CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 794449556 YADZRHMWWWSAAW-CQSZACIVSA-N 435.579 1.559 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=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)cc1Br 800411144 FBMCRYOUAHAGSA-IKBFSEMESA-N 433.283 1.453 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 802497819 WWYVCCPGJNTTNL-YLJYHZDGSA-N 426.521 1.532 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)c1 918342929 ZYOSSLFVDKTUFI-UHFFFAOYSA-N 443.525 1.832 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 919034440 RUJFUZMLLPAVTK-ZDUSSCGKSA-N 433.408 1.181 30 10 IDEE COCCNC(=O)C1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1136002989 MRGCTVYDPWRIMF-UHFFFAOYSA-N 430.354 1.909 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1138185666 PVTHXHWTWUMGJX-AWEZNQCLSA-N 433.486 1.495 30 10 IDEE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1143636583 YQAGVBAIZPYRAG-UWWQBHOKSA-N 430.436 1.513 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)CC1 1148406081 KHZICUJAORCHEA-UHFFFAOYSA-N 443.363 1.984 30 10 IDEE C=C(C)C[C@@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1153517082 TYDSLYCNZRVDCC-LSDHHAIUSA-N 432.539 1.425 30 10 IDEE C=CCn1cc(CNC(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)nn1 1219435260 AVDQMMGQHMWSJC-UHFFFAOYSA-N 448.325 1.827 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)C2=O)cc1 1226111452 JCWQJGADVGKLBV-RBUKOAKNSA-N 430.530 1.662 30 10 IDEE C#CCN(C(=O)NC1CCN(CC(=O)N(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1226663916 HVVGWHQRTPJPQD-UHFFFAOYSA-N 449.596 1.583 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1228783516 JLKVBCPJYVQRKJ-UHFFFAOYSA-N 438.509 1.786 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CC1 1229136931 SSIACZZDKHPPCW-QFIPXVFZSA-N 440.569 1.808 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1286273040 DBDUWTRPQDXEEU-UZUQRXQVSA-N 443.523 1.886 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nnc2n1CCCCC2 1286364136 ZVPBYWHWBFBLQP-QFIPXVFZSA-N 427.553 1.949 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286376195 HMEQAFGDQZWKBZ-HNNXBMFYSA-N 437.566 1.649 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1286398857 REHBOMXBQCVTKD-IBGZPJMESA-N 434.548 1.024 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1COCCO1 1286404861 VIVKJFTVSLQHCQ-INIZCTEOSA-N 432.322 1.924 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)NCC)CCC1 1286462397 JRJXRWIYLWHKKM-UHFFFAOYSA-N 442.520 1.398 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286686540 ALKAQCBCTXLQIL-MRXNPFEDSA-N 445.611 1.008 30 10 IDEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O)C1CC1 1286738452 VANJWCPUCCCKNK-UHFFFAOYSA-N 446.581 1.156 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286791170 OIODOIQOGBORET-GOSISDBHSA-N 445.612 1.302 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1286792351 VKKKFZDNNQNOSS-QFIPXVFZSA-N 443.504 1.164 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC2(CC1)CNC(=O)C2 1286819061 YFPGVBDDCVXSKN-UHFFFAOYSA-N 430.534 1.047 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286819550 NRXZFWMJDHYMEY-KZNAEPCWSA-N 447.536 1.772 30 10 IDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 1287463656 JYKIZUHMIDSZKN-LJQANCHMSA-N 429.498 1.527 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCN3CCC[C@H]3CO)CC2)c1C#N 1290576532 GBJHUABKWXWATA-IBGZPJMESA-N 441.584 1.064 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1296405150 BTZDVCXJRHAAJO-RBUKOAKNSA-N 440.504 1.947 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300365172 QPKNHADLLLFERA-KSEOMHKRSA-N 442.608 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1COCCO1 1300578294 AROUNGAAVNWIIK-QGZVFWFLSA-N 432.484 1.862 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1300701443 UBQIDRFBPJUMSO-VQTJNVASSA-N 429.952 1.817 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCCCCC2)CC1 1300711277 VXQFPIVDXWXLSD-PMACEKPBSA-N 431.581 1.843 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)=O)CC1 1300756784 SWHSLXNESQPJJM-UHFFFAOYSA-N 430.534 1.477 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)CC1 1300823383 FRTQFQRYVORYSG-UHFFFAOYSA-N 441.374 1.581 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300873190 IGRADGRBQUDIIQ-GVDBMIGSSA-N 434.541 1.674 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1 1300915649 PPCTVPGZSRUXLM-WMZOPIPTSA-N 440.614 1.496 30 10 IDEE Cc1ccc2nc(COc3ccccc3C(=O)NCCn3cc(C#N)c(O)nc3=O)cn2c1 1301210614 AZCIIPASTWXPIR-UHFFFAOYSA-N 444.451 1.786 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301492193 ZZFZNTZCXAENCB-GOSISDBHSA-N 448.531 1.645 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](CCOC)C1 1301492898 QVOGBHQBRJGKII-MRXNPFEDSA-N 427.505 1.881 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1301520371 FLLRDMDREKHIRW-IBGZPJMESA-N 438.532 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1301586171 DXVDVHBHGQNDCW-UHFFFAOYSA-N 437.953 1.402 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301588587 HXERQSUMNKAYIA-WMZOPIPTSA-N 434.566 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](COC(C)C)C1 1301589111 NOOPGHOTDLSVSW-ZWKOTPCHSA-N 442.582 1.751 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1309504696 AQONKCVBECRLEJ-HNNXBMFYSA-N 433.349 1.910 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C 1314522154 FFDTWCPYXCAKND-UHFFFAOYSA-N 427.534 1.778 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315818504 ZXRJUDAZBZGRID-CABCVRRESA-N 425.472 1.634 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CCO1 1316540994 QBUVGNFUOLKNAQ-NEPJUHHUSA-N 439.485 1.204 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cn(CCO)nc3C3CCOCC3)C2=O)cc1 1331302002 GTALFNHEVUHJHH-FQEVSTJZSA-N 437.500 1.172 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@H](CO)O1 1358875272 MSFPVIZTWPFHIQ-BHYGNILZSA-N 446.577 1.544 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@@H]1C 1358975788 DZDLCKIMTSOVGA-JTSKRJEESA-N 440.573 1.862 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NCC)c1 1358984455 VWWWUEKBGJGLPK-SFTDATJTSA-N 435.528 1.873 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CCOCC2)CC1 1359042910 YQZYBSIVECPSMS-UHFFFAOYSA-N 427.505 1.354 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359100576 DDIKEWKYGRGWJY-VCOUNFBDSA-N 440.548 1.586 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1359329979 BJVCSCOTOJPFII-MRXNPFEDSA-N 435.525 1.206 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359334913 UTCMXHAILBQSNS-QFIPXVFZSA-N 443.573 1.523 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1360372531 MCMAAGMQSVBGBR-DPPKGPFUSA-N 444.536 1.702 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1360475835 DYIQZORRVUNVSU-YOEHRIQHSA-N 446.533 1.450 30 10 IDEE CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(C#N)cn1CC 1436860192 JXYOCYIGCNOTKD-RRCSTGOVSA-N 428.445 1.047 30 10 IDEE C#CC[C@H]1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1438015967 FMJHZCOKQGYCTI-HNNXBMFYSA-N 429.498 1.447 30 10 IDEE N#Cc1ccc(NCCNC(=O)Cn2nc(Br)c(Br)n2)nc1 1441103811 RQJTUICUUBNERK-UHFFFAOYSA-N 429.076 1.298 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnn(C[C@@H](O)CO)c2)c1 1441736946 MDUMVEKTQJCBOH-XKAFOEQXSA-N 449.533 1.082 30 10 IDEE C[C@@]1(C[C@@H]2CCCN2C(=O)COc2cccc(Br)c2C#N)NC(=O)NC1=O 1449338462 DWFGHHHFPFQVOD-VOJFVSQTSA-N 435.278 1.679 30 10 IDEE CCOC(=O)[C@H](C)C1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1455499545 HHYRQISNJPZQQN-OAHLLOKOSA-N 435.546 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(C#N)cc2F)C1 1462725848 UDCVNDMAYFMQDP-AWEZNQCLSA-N 425.482 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1468648384 ZYHKMJANAUGONE-NRFANRHFSA-N 431.493 1.460 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccc(C#N)cc1 1470075317 UQXSFDWUFVUQOB-HXUWFJFHSA-N 443.525 1.947 30 10 IDEE CC(=O)N[C@](C)(C(=O)N1CC(Nc2cccc(C#N)c2)C1)c1ccc(S(C)(=O)=O)cc1 1470623923 QBOBNBJBMKUUAT-QFIPXVFZSA-N 440.525 1.636 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCN(CCC)C3)nnc12 1472604714 GOSATJDNEDXZAU-OAHLLOKOSA-N 426.546 1.923 30 10 IDEE C#Cc1ccc(S(=O)(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1 1474855250 HXQRSOPGAFGECL-UHFFFAOYSA-N 427.526 1.807 30 10 IDEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1500410288 BOJWBWFQMUNPPC-WOJBJXKFSA-N 440.548 1.909 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1Cl 1505000061 PDUIBKCUEDLLAT-CABCVRRESA-N 436.900 1.858 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CC2)c1 1507551070 UPTCMMFMRPLVDJ-WZONZLPQSA-N 436.516 1.446 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C)n(C)c1=O 1507645788 LIPCPBFLNJEBHW-UHFFFAOYSA-N 429.480 1.845 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507714876 YYYJYGLHVCLENK-SJORKVTESA-N 445.486 1.869 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(C(C)=O)CC2)CC1 1507728341 QUBOCNAHZWDQAN-UHFFFAOYSA-N 441.605 1.648 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C)C1=O 1508025069 MWYRUOLDCBPTNG-JOCHJYFZSA-N 426.521 1.821 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)C1 1508107891 CWKUGFHAIHQZMW-MRXNPFEDSA-N 441.492 1.549 30 10 IDEE CC(=O)N1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1508201612 DWKKSNOMZNVKQC-GOSISDBHSA-N 429.550 1.621 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1508259000 ILVLSVSWVZYZNN-FQEVSTJZSA-N 440.504 1.203 30 10 IDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1528123713 WEQSVGGHKWCHGW-YEZVWNJWSA-N 435.488 1.883 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 1528251757 BHESQVJMTCLSLE-GXTWGEPZSA-N 447.307 1.026 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1=O 1534919166 CBTXYIFOWHYTJV-HUUCEWRRSA-N 438.406 1.142 30 10 IDEE O=C1C=COC2(CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1538588450 DYUUMOQJEIZQQU-GOSISDBHSA-N 449.485 1.612 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccn2)CC1 1539085539 MPMDFVHZSHZHKP-OALUTQOASA-N 425.537 1.922 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(OCCOC)CCOCC1 1539172188 UYWCMYHAIXTQES-UHFFFAOYSA-N 431.493 1.287 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539215383 AVAMGIPXQFDOKY-INIZCTEOSA-N 428.543 1.780 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539215967 MENFISZFTRWQQQ-AWEZNQCLSA-N 430.456 1.648 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)CCCN2C)[C@H]1CCS(=O)(=O)C1 1539218916 FXCKVFWBDJRVIM-IBGZPJMESA-N 427.574 1.898 30 10 IDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1539357361 HZUDNPUAGDGCNF-UHFFFAOYSA-N 449.602 1.792 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)CC1 1539446038 OONYOKBLXXMKHI-SJORKVTESA-N 427.578 1.349 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CN2CCOCC2)CC1 1540870313 JZTQIZYGLGAABH-IBGZPJMESA-N 432.569 1.371 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)CC1 1540904327 MGPDOMWUOFINPL-UHFFFAOYSA-N 444.529 1.317 30 10 IDEE C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)NCCc1ccccc1 1543326085 LVDCDMWMYOAMKZ-OXJNMPFZSA-N 447.495 1.627 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CC(=O)c4ccccc4O3)C2=O)cc1 1544633270 NUGGAOKSOKQQIT-FUHWJXTLSA-N 432.436 1.913 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1 1546286974 XHYDIANSFBNYOU-MRXNPFEDSA-N 427.567 1.215 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1552712409 BGGYMKRBUAOSNA-SJORKVTESA-N 440.460 1.321 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1555484529 VNTUISCZBGHFIT-QHCPKHFHSA-N 437.548 1.501 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1555556731 HCPJFLOEVJLFFA-QZTJIDSGSA-N 442.568 1.989 30 10 IDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 1557708521 SSBMMTFWLGQVGR-HNNXBMFYSA-N 426.477 1.987 30 10 IDEE C[C@H](CN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 1557807877 JGIBLCOABSHAKR-CQSZACIVSA-N 438.550 1.877 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 1557993478 KJVFVKWBUUIHQD-RUCARUNLSA-N 434.539 1.886 30 10 IDEE C#CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1558102707 LHSLOOSDXHISOH-UHFFFAOYSA-N 426.560 1.132 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]1CCOc2ccc(Br)cc21 1586216568 MOAUULKAFWNVHT-CQSZACIVSA-N 430.324 1.131 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)Cc1ccccc1 1587561745 HYQDASMZWUPZNY-RCCFBDPRSA-N 432.594 1.867 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1587696982 GBIBPWPIQRXMTJ-UHFFFAOYSA-N 436.582 1.226 30 10 IDEE COC(=O)[C@H](CC1OCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1588008755 MQEIOQUFXVXJNF-CELYABABSA-N 437.493 1.194 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1593625335 QJGNFDUZRACPGZ-ROUUACIJSA-N 429.569 1.328 30 10 IDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1593689734 DNQWGBKSPPZMIV-GOSISDBHSA-N 430.553 1.646 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1595536736 GISOQMHQFBCFRK-NVXWUHKLSA-N 444.561 1.779 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H](C)N(C)C 1611671853 GLSGHEHCXBVVFA-HOTGVXAUSA-N 445.593 1.879 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1613588485 KNZHCICGSGDFBZ-PGRDOPGGSA-N 445.568 1.179 30 10 IDEE CCOCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617115310 SZXNVCQEKURTHI-UHFFFAOYSA-N 425.493 1.362 30 10 IDEE CN(OC1CCCC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1618370179 BCLGERFVKOJVJR-VXPUYCOJSA-N 443.508 1.237 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c1 1627350348 SXCRKDYEUOSBTH-UHFFFAOYSA-N 430.461 1.553 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)c1 1631704560 OWSDRVWHLDUINZ-UHFFFAOYSA-N 438.513 1.248 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1637004707 MGKWBUIPDZJRSL-IERDGZPVSA-N 443.573 1.710 30 10 IDEE C#C[C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)c1ccc(Br)cc1 1637663168 OGIPDGKLFQRUCH-HNNXBMFYSA-N 444.351 1.074 30 10 IDEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1643758503 PLHVLXUXQKVZNW-QGZVFWFLSA-N 436.534 1.716 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3OCC)CC2)cc1 1644592920 YNEAVPANAXTNHN-UHFFFAOYSA-N 430.530 1.907 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 1661513042 MRBBXOCIJUWOOH-CQSZACIVSA-N 430.935 1.060 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1681498923 GHHDDGKAXNDASM-MSOLQXFVSA-N 426.477 1.207 30 10 IDEE CN(CCN1CC2(CCOCC2)C1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682021289 CZFBCFSHEVUTIM-FQEVSTJZSA-N 425.533 1.413 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 1683425713 RCQIEVJDQQUEFS-DYESRHJHSA-N 427.549 1.804 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1690015357 JPAAURUDDBTEDO-UHFFFAOYSA-N 439.479 1.722 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)Cc2ccccc2C1 1690025322 MELOCIHSNCZTJV-UHFFFAOYSA-N 430.556 1.573 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1690154540 QRAGATTUMSVUEC-AWEZNQCLSA-N 432.516 1.856 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1690188962 RFMOJFCYEZZENE-HXUWFJFHSA-N 442.545 1.885 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690209491 ZTTMDXHSXWIWAI-WIYYLYMNSA-N 428.562 1.538 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCOCC1 1690518357 GRJUUBIGSRFCJN-UHFFFAOYSA-N 449.577 1.749 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1690669257 ZKWGJIWJIGNKGC-DLBZAZTESA-N 444.536 1.948 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1690720342 GGBPWUCLDAAOGK-MRXNPFEDSA-N 448.545 1.944 30 10 IDEE C[C@@H]1COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1693864044 BTOIFMPLZBQZOT-HZPDHXFCSA-N 432.475 1.597 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2occc2C)CCO1 1696971991 AAMLLVZMBCPWDZ-IBGZPJMESA-N 436.472 1.630 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1705477741 RMCWNIRSHDYBFC-CVEARBPZSA-N 431.566 1.390 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[C@@H]2COCCO2)c1 1705504608 BULORWJOOQKMLI-HXUWFJFHSA-N 449.515 1.540 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1705551059 FRQGQWHKWRGDSF-MRXNPFEDSA-N 432.525 1.182 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1705589474 RCGWEZPMKIRNFJ-KKSFZXQISA-N 447.536 1.398 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1705623503 UDZLWNZZUVEISD-UHFFFAOYSA-N 440.382 1.618 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CC1 1705628755 OERYTWREGDGBRR-YVGXBJCXSA-N 430.530 1.788 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1705900675 LXQHEIJCBWVHME-SFHVURJKSA-N 441.458 1.511 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1706092267 FMNWAJYFYJODIY-QHCPKHFHSA-N 435.532 1.695 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1709829850 DZLDZQSQSJHYQQ-HOTGVXAUSA-N 446.577 1.991 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1710857683 FMHOSDNXRFQXOL-MRXNPFEDSA-N 447.561 1.618 30 10 IDEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1712164904 RIXSUXIFLGZJFQ-QZTJIDSGSA-N 430.484 1.850 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1712711928 DNMHLJGJYCPEBK-FQEVSTJZSA-N 445.524 1.731 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)C1 1712874905 FRZKTIHCLVKTOL-QFIPXVFZSA-N 439.495 1.663 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)CCOC)CC1 1722437874 KUZYBBMBYZMIGP-UHFFFAOYSA-N 428.537 1.824 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNC(C)=O)CC1 1722462366 MQLDDNKOVZBJJO-UHFFFAOYSA-N 429.594 1.859 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(=O)N(CCOC)C1 1722512681 KNWQXWZUEWNDCK-MRXNPFEDSA-N 444.536 1.903 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722517866 ONGIHVNXRIBEOI-UHHPSXQGSA-N 448.549 1.109 30 10 IDEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722536677 PYUSTWDWTQDLGN-SPEDKVCISA-N 433.553 1.626 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722571482 BTZVDGREBPUPLU-CBGDNZLLSA-N 438.594 1.903 30 10 IDEE C=CCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1722691045 OYRNTZZMEGFGRD-AUSIDOKSSA-N 440.548 1.465 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H](C)C1CCC1 1722726726 BHXLPLXENMLWII-NVXWUHKLSA-N 444.623 1.796 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1722732985 UJMVRUDCGDCOER-HNNXBMFYSA-N 444.627 1.112 30 10 IDEE CC(C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723155100 BJIWINTZJVRZSF-YKNSSVCLSA-N 443.552 1.229 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1724018260 PZGZWBTYXXCIRT-JKSUJKDBSA-N 434.566 1.225 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1728685773 AQNMULQDOXOMAE-KRWDZBQOSA-N 448.549 1.018 30 10 IDEE COCCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730908121 OMBXQDVSFGDFKW-QBNCKDSPSA-N 446.552 1.635 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740621532 NDEOWAUFPSNJDQ-KRWDZBQOSA-N 442.545 1.758 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CC)OC)CC1 1740706983 KPTUPGHCTKERNQ-HXUWFJFHSA-N 449.559 1.907 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1740796370 AGGAMQSDJYRGQC-HNNXBMFYSA-N 441.579 1.083 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1740934763 PXLLWEZSOGKYCV-QFIPXVFZSA-N 428.537 1.409 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1 1748725497 DVJJUNGFJGWQIH-SIKLNZKXSA-N 427.505 1.606 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1748791497 UGAJIANMBRZNSF-KRWDZBQOSA-N 445.570 1.943 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1748860157 XHLITAPHNAOIKM-GOSISDBHSA-N 443.548 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC 1748889866 IGWCSYFIAYWVQA-UHFFFAOYSA-N 442.564 1.992 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749126649 FLSUWNYYSHGEHF-QXAKKESOSA-N 446.577 1.791 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1749258969 GUUIXYQLDZVHLQ-MRXNPFEDSA-N 425.537 1.498 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749420830 FBKNKFMFFNCHCU-SFHVURJKSA-N 426.569 1.778 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1COCCO1 1749470694 BAHNQFLOOUCYJV-KRWDZBQOSA-N 435.550 1.623 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnc(C)s1 1749722000 YNRFGTHIXSLLOJ-UHFFFAOYSA-N 426.568 1.418 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749726725 CDRMPNFSFFTTAO-HNNXBMFYSA-N 426.564 1.415 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCOC1 1749727210 PYNCLSHNEFBEKF-MRXNPFEDSA-N 434.518 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CC(N)=O)C1 1749732545 YPTRXDJYUUZETH-HZPDHXFCSA-N 425.555 1.212 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC(C)(C)C1 1750137618 OKMXNTOWIDUXCJ-OALUTQOASA-N 432.569 1.853 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CSCCS1 1750154351 MANTZEDPEPMDAX-FZKCQIBNSA-N 425.580 1.579 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCOCCCO)o1 1751494912 HOGLPSVPIGXQAB-UHFFFAOYSA-N 437.504 1.839 30 10 IDEE Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1751908201 OZCBPUJUNKHWIX-XDSRXIPYSA-N 426.452 1.350 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1760182367 JCLPKVYVBDKOSS-FUHWJXTLSA-N 431.562 1.648 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1760210041 LFOXWWJNWFIRRM-UHFFFAOYSA-N 442.541 1.906 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1760289494 PIVBJTDLZSUCFP-YCRPNKLZSA-N 429.546 1.959 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760406407 CKHXQMJJKCTUCR-LSDHHAIUSA-N 442.586 1.768 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1760418892 AXQAARUZRUZZEJ-PXNSSMCTSA-N 425.599 1.429 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1760504850 DJMREGBQUFXSPC-GOSISDBHSA-N 439.582 1.750 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760523843 JCMYGSCPSVQKGF-QGZVFWFLSA-N 434.541 1.737 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760565395 WKAYHDZBCBBXAE-JKSUJKDBSA-N 429.612 1.909 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1760689146 SMZSTXRFQCGYJR-KFWWJZLASA-N 426.543 1.027 30 10 IDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CCCO1 1763197796 BBYXCDZTNLMVQL-SFHVURJKSA-N 442.589 1.886 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1764680258 IYRXGYOFFWXPRY-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)C[C@@H]1C 1765515739 FSLPUOFDSYNKOJ-KRWDZBQOSA-N 445.593 1.677 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C#N)o1 1769131373 ITBNZOACJJUYLV-GFCCVEGCSA-N 425.449 1.337 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c(OC)c1 1770043601 NMSGMRHGETWOAH-MRUHUIDDSA-N 431.468 1.944 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)C1 1770344657 URUFXINWVZRBAF-QZTJIDSGSA-N 436.582 1.584 30 10 IDEE COCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1771058240 OWYVQJYYZKNORO-UHFFFAOYSA-N 438.532 1.711 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)OCCN2CC3(COC3)C2)[C@H]1c1ccc(C#N)cc1 1848993514 FJRKILZNYAEEPJ-UXHICEINSA-N 429.542 1.827 30 10 IDEE C=CCN1C[C@@H](C(=O)N[C@@H](C(=O)OC)c2ccccc2I)CC1=O 1850738425 GUNIRMKIWKHHII-XHDPSFHLSA-N 442.253 1.656 30 10 IDEE COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCO[C@@H](C#N)C3)Oc3ccccc32)cc1 1852444714 WZJOHRKTKONPAQ-OXJNMPFZSA-N 443.481 1.402 30 10 IDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1852896298 QVKYVNZTSNNFKS-CQSZACIVSA-N 427.324 1.809 30 10 IDEE C=CCNC(=O)[C@](C)(CC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593782 MIPUQSNZHHOELI-SBUREZEXSA-N 431.533 1.682 30 10 IDEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 1869930052 RWAUBAGFTUOYDW-QGZVFWFLSA-N 427.530 1.638 30 10 IDEE C[C@@H]1CCCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 1869993053 BIDPAANYCNCUER-RHSMWYFYSA-N 428.518 1.998 30 10 IDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1870095619 RMJXYFKYBYVROW-UHFFFAOYSA-N 427.402 1.806 30 10 IDEE COc1cccc(Cn2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 1870107104 SFBPYZIDQXOZIG-ZDUSSCGKSA-N 430.424 1.830 30 10 IDEE C[C@@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1CN(C)C 1870324223 AOPDXGLRBPQLPO-CYBMUJFWSA-N 430.530 1.730 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN3CCCCC3)OCC(=O)N2C(C)C)cc1 1889303436 QJRFMGUORNWQTL-XZOQPEGZSA-N 427.545 1.978 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(CC4CCC4)nn3)CC2)CC1 1890078108 JNMIBMTXNUOHGF-UHFFFAOYSA-N 428.581 1.340 30 10 IDEE Cc1oc(=O)c2ccccc2c1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890254498 TVLTXAHYEBKWTI-UHFFFAOYSA-N 437.540 1.973 30 10 IDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1890996415 TZGLQYSOBJBKFF-QGZVFWFLSA-N 431.562 1.585 30 10 IDEE N#Cc1cccnc1OC1CCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)CC1 1892056350 LILIDQXMBNWKCS-UHFFFAOYSA-N 434.452 1.824 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)nn1 2124523702 JNMBCFFUUIZAES-QLPKVWCKSA-N 447.345 1.853 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2244600319 NWAMKHZYAZMQNR-HNNXBMFYSA-N 425.526 1.733 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247906726 PKALASPKUVDQDF-LJQANCHMSA-N 441.359 1.448 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248401359 HYQBYGFMDIWFDG-RYUDHWBXSA-N 438.359 1.891 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cccc(F)c1B1OC(C)(C)C(C)(C)O1 2255524456 RFFFVXIZWVHRLU-ZDUSSCGKSA-N 438.305 1.740 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255635047 DPGDXSUNFCWBGM-CQSZACIVSA-N 434.346 1.941 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255643740 XAQDEROUPHAZJR-WDEREUQCSA-N 447.288 1.971 30 10 IDEE Cc1c(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255833298 AOPZLMAUOSKVST-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256678234 MCHUVVZEFLAIOE-OAHLLOKOSA-N 433.314 1.955 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267138664 ZAVIWPKULWWVAA-HNNXBMFYSA-N 446.357 1.933 30 10 IDEE CC1(C)OB([C@H]2C[C@H](C(=O)N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)C2)OC1(C)C 2267190032 IYSPKKZBJGGNHW-FDYHWXHSSA-N 447.263 1.240 30 10 IDEE Cc1ccnc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267510592 NCTXLBWMOKXORC-HUUCEWRRSA-N 447.341 1.711 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3cccc(B4OC(C)(C)C(C)(C)O4)n3)[C@@H]21 2268708344 ZWEZIAXBVLSPBO-YESZJQIVSA-N 445.325 1.954 30 10 IDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ncc(Br)cn1 432527110 PDCNFRBAAIJMFE-RYUDHWBXSA-N 431.298 1.882 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443310558 PJVHGSBUDXIISR-UHFFFAOYSA-N 442.394 1.491 30 10 IDEE Cc1cc(C)nc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 446447041 PLAOYOBVETZCNX-UHFFFAOYSA-N 427.486 1.042 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 461334930 VORVCIJYLXFJIS-UHFFFAOYSA-N 432.502 1.685 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 478423888 YOYHIOIAHKVOGX-UHFFFAOYSA-N 444.538 1.210 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2Br)CC1 480311946 VDTGALMMJCHYNC-UHFFFAOYSA-N 432.340 1.066 30 10 IDEE C=CCOC[C@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)OC 481763783 OTSISSIMNPKHAL-ZDUSSCGKSA-N 441.278 1.425 30 10 IDEE Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@@H]2CCCO2)c1 497577871 AIDZJWNXDVHHAJ-IBGZPJMESA-N 448.548 1.825 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508119455 OXMFDIKGYQVADS-KBXCAEBGSA-N 444.488 1.676 30 10 IDEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 508955826 KEXCOFOURYKBCI-QGZVFWFLSA-N 445.545 1.915 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(C)c1=O 542727164 AEDFCXIKSTUTEN-UHFFFAOYSA-N 449.444 1.778 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCO2)CC1 549910753 LDFZJLKZPUIGTN-ZWKOTPCHSA-N 425.493 1.138 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C2(c4ccc(C#N)cc4)CC2)CC3)CC1 576533404 QMOKGXPYAIOGQN-IBGZPJMESA-N 446.555 1.553 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O 589158994 DTRBKYPEHWHKFZ-UHFFFAOYSA-N 446.326 1.030 30 10 IDEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671665615 YTKHEBVVFCUSOW-QGZVFWFLSA-N 434.493 1.681 30 10 IDEE CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729668642 BLRNUHATGPEADI-UHFFFAOYSA-N 439.566 1.092 30 10 IDEE CCOc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c([N+](=O)[O-])cc1OCC 732706969 SKGIDCZDGMUOBF-CQSZACIVSA-N 431.449 1.529 30 10 IDEE C[C@H](CC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742647676 QAMMLQHAMFROSK-MSOLQXFVSA-N 447.605 1.132 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 772905116 VKFIJPFSORQGEX-UHFFFAOYSA-N 448.548 1.620 30 10 IDEE C#CCN(C(=O)NCc1cc(Br)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774189080 XYVWQCVMKCKHPV-CYBMUJFWSA-N 445.335 1.798 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774251097 MYRFUJLETQWQPI-QZTJIDSGSA-N 435.546 1.110 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 779189379 NCDAWRYFROMHSJ-LJQANCHMSA-N 445.497 1.836 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 798069978 PZKJMBTZHCEOFK-SJORKVTESA-N 446.573 1.803 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 804708864 FRFKZPAWIDFHQA-OAHLLOKOSA-N 430.509 1.245 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 917804113 DDOWAPMESSWYJZ-XQNSMLJCSA-N 449.533 1.549 30 10 IDEE CN(CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256606 QJDKZDUNNDFJPR-UHFFFAOYSA-N 429.521 1.898 30 10 IDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1124320753 SONIFQGSTIZZAF-UHFFFAOYSA-N 430.442 1.622 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(I)cc1-n1cnnn1 1129930709 QLFTUVBWWOSYCD-HZMBPMFUSA-N 425.230 1.588 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1137742291 ONOQPUDKPHHZBB-UHFFFAOYSA-N 436.892 1.970 30 10 IDEE C#CCN(CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C 1138118829 NJDHWDRQXBVAHU-UHFFFAOYSA-N 425.463 1.355 30 10 IDEE COC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC(F)(F)CC1 1141411708 JFIFKIWUFZDAFI-UHFFFAOYSA-N 427.473 1.986 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)s1 1141653857 MZJFYXRJTQEWPM-IBGZPJMESA-N 448.526 1.448 30 10 IDEE C=CCn1cc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)nn1 1142655474 DQTMYAHCDQABFC-UHFFFAOYSA-N 437.831 1.731 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1154702194 HXXRCMVTENXRBH-UHFFFAOYSA-N 440.394 1.627 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2n[nH]c(C)c2I)n1 1156618790 ULEOOJCIYFVPHT-UHFFFAOYSA-N 427.246 1.441 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(I)ccc2N2CCOCC2)CC1 1167535711 RRVZBBSQNPIYBA-UHFFFAOYSA-N 440.281 1.728 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1167953276 XEUSXLZUZVTDHF-UKRRQHHQSA-N 445.463 1.490 30 10 IDEE COc1ccccc1-c1cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)on1 1168015666 MYDMOCMXZCHGGA-UHFFFAOYSA-N 426.454 1.705 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cc(C)ccc2Br)CC1 1210111939 OFZWCMNJWDLHFW-UHFFFAOYSA-N 442.379 1.344 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1286325694 YNOZNGSXENZRIA-SFTDATJTSA-N 436.560 1.888 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286349197 FXFHRRPFUYTUHJ-QGZVFWFLSA-N 428.562 1.617 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1286389443 KDYLQSYADIXZHC-LJQANCHMSA-N 445.593 1.181 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286413251 TXLVIZWHXVLMBH-HXUWFJFHSA-N 438.601 1.946 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC2CCCCC2)CC1 1286484210 GKBZKJSLGCPGJG-UHFFFAOYSA-N 438.580 1.344 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2nccs2)CC1 1286484959 RWJOTYIZGAEUKE-UHFFFAOYSA-N 441.586 1.724 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCNC(=O)C(C)C)CC1 1286490288 PNTNVGVAFATMST-UHFFFAOYSA-N 439.564 1.412 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286507919 GTGVZNWZVXZTIU-QGZVFWFLSA-N 446.621 1.898 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1286546022 FLVMWIFHPWDDLF-MSOLQXFVSA-N 440.552 1.514 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCOC2)CC1 1286664141 URCCCGPNOARQQM-QZTJIDSGSA-N 439.582 1.440 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)N(C)C)C1 1286814330 PXWVNTPWDFVDQN-IXDOHACOSA-N 448.568 1.918 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1286969341 PAUMZIKMRQQAEE-MAUKXSAKSA-N 445.545 1.870 30 10 IDEE Cn1ccn2c(CCNC(=O)c3ccc(OCc4ccccc4C#N)cc3)nnc2c1=O 1288907819 ATDYXFIBMKRKKJ-UHFFFAOYSA-N 428.452 1.851 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)n1 1290627424 DNPRVWLIEOTSAN-APWZRJJASA-N 435.529 1.407 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCOCC1CC1 1298198585 LQBVNPQHSTUGMA-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCn2cc(C)cn2)c1 1300332750 MTFASZPULNXXSL-UHFFFAOYSA-N 443.515 1.940 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1300618487 GULYNPCBWLBTDD-UHFFFAOYSA-N 449.559 1.762 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1300672060 UQFHNAFPVRBZRO-ZIAGYGMSSA-N 438.472 1.234 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC[C@@H]1C 1300804505 QASKDPDNVNINNY-HNAYVOBHSA-N 434.504 1.831 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)on1 1300875298 OQFVYCCZBJIQAN-ZOBUZTSGSA-N 438.554 1.802 30 10 IDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1300992452 ZXCQFSLVHIFUHI-UHFFFAOYSA-N 432.569 1.119 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301491702 VFQPEZNCZMJXFQ-UHFFFAOYSA-N 437.479 1.563 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)[C@H]2CC)cc1 1301520373 FLLRDMDREKHIRW-LJQANCHMSA-N 438.532 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCOC1 1301586410 LRYSQDVJJQTJCM-KRWDZBQOSA-N 430.534 1.343 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1C 1303897722 BICRXOHEWZCXFM-GOSISDBHSA-N 427.530 1.952 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCN1CCOCC1 1306194722 QNODSDROAGWYPB-UHFFFAOYSA-N 441.584 1.193 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OCC 1309505532 BYJHXLDOZZUPIZ-QGZVFWFLSA-N 430.548 1.647 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](COC)O[C@H](C)C2)C1 1314259332 AICMANOAQWLXSQ-YGDDZIOGSA-N 441.532 1.987 30 10 IDEE CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1314674450 CZCHOIRCBMXXBF-IBGZPJMESA-N 444.561 1.887 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(F)F)C1 1316568668 XTYLASBKDCFFTM-MHXCMXBESA-N 436.463 1.790 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1342263350 PCJCVHIOXUYIBP-LSDHHAIUSA-N 426.491 1.413 30 10 IDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CCCOC1 1348487314 IDVLXIJSEHAEPX-HNNXBMFYSA-N 448.364 1.664 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CN(C(=O)C3CCCCC3)C2)c1 1355984270 OTNFXHYZLMMJBO-UHFFFAOYSA-N 437.540 1.898 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)C 1358972202 XOQPPIQHHXHTFI-UHFFFAOYSA-N 427.530 1.194 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCn2ccnc2C)CC1 1359040313 OWGLSEPGKJBGMK-PMACEKPBSA-N 427.553 1.353 30 10 IDEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359155716 HLTNYTFIELEGFL-MRXNPFEDSA-N 444.923 1.319 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1)C1CC1 1359250885 WJTLVMRYQBVAQK-SFHVURJKSA-N 426.496 1.882 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359456308 VFULKBVITWJUFX-GJZGRUSLSA-N 432.550 1.601 30 10 IDEE CC(C)C(=O)NCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1359637987 IFMCPAAMBLXTMA-HNNXBMFYSA-N 447.565 1.169 30 10 IDEE COCCNC(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1440856639 YEJYEOJLYCLRNZ-OTQYULQBSA-N 448.564 1.774 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCS(=O)(=O)C1CCOCC1 1449884185 TWUFRHXKPLNGHR-MRXNPFEDSA-N 431.555 1.674 30 10 IDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1459747404 HHLQMNREVOEEDV-GOSISDBHSA-N 432.523 1.794 30 10 IDEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CCOCC1 1470867203 RMENDKQFHPHDIS-HXUWFJFHSA-N 435.546 1.530 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1471820185 IXDINKLJVYFHNH-ICSRJNTNSA-N 449.467 1.921 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(c3ccc(S(N)(=O)=O)cc3)CC1)C2 1479160023 RASWWGSBKPZLQJ-GOSISDBHSA-N 425.514 1.205 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1504600130 WQTJANBEFRLURG-QUCCMNQESA-N 428.512 1.960 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1507612494 FRQQHWVQIMWOEF-UHFFFAOYSA-N 426.502 1.488 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507631638 RKNWSKWPWYAEHQ-KRWDZBQOSA-N 428.518 1.321 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1507654713 QJQSNZCBMSPRMN-UHFFFAOYSA-N 426.502 1.185 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1507660773 ZGESKMMDYRBVJI-HOCLYGCPSA-N 432.550 1.760 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1507688121 XGWRRABMRTWKLS-IBGZPJMESA-N 428.581 1.971 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1507703706 YGGRMCBGTZRMCZ-GAJHUEQPSA-N 441.507 1.719 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507879660 GHDAJHWWXNEUDO-ZSVKVYQISA-N 442.520 1.613 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507945771 KWGHIHOJLRUPNS-HNNXBMFYSA-N 431.566 1.871 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1507981616 NZWUSTLEUXEPNV-OAHLLOKOSA-N 444.540 1.795 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1508132031 UGXBKZGVFNROFF-KRWDZBQOSA-N 438.598 1.082 30 10 IDEE COCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)ccc1=O 1516307804 JIKWAOQURFHOPD-PTGBLXJZSA-N 447.517 1.345 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1519051713 APWYLDJTAOGHRM-RTBURBONSA-N 440.504 1.899 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1521137322 NTGZLGZLXBTGBI-WOJBJXKFSA-N 425.537 1.230 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2nc(Cl)c(C#N)s2)c1 1525765351 CRUNPAGCOLGHOH-UHFFFAOYSA-N 429.911 1.499 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1539320300 SOXHULFOBQHGIX-IBGZPJMESA-N 441.495 1.944 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539981821 JHJVWEKFEVMULZ-TZMCWYRMSA-N 425.515 1.124 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1540036529 OMUUJPLQRSPJJW-SFHVURJKSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)NC)C1 1540871018 BQESEXJBWNFOQX-QAPCUYQASA-N 440.504 1.055 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1541664909 QTCXGYXCQHBZAP-VGSWGCGISA-N 440.552 1.947 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1547643590 YOFALARYIKGRFL-DLBZAZTESA-N 445.593 1.675 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(c3ccccc3OC)CC2)cc1 1558778843 JFTGFJYXVAWRGL-UHFFFAOYSA-N 427.526 1.959 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C3CCOCC3)C3(CO)CCC3)C2=O)cc1 1564690795 YDHIZFJLEXPDDO-LEWJYISDSA-N 440.544 1.916 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)Cc1ccc(F)cc1C 1564978386 UWRSQEZSNBHRJI-IBGZPJMESA-N 438.507 1.837 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1 1568701169 HNXUSTOSUJNVAC-UHFFFAOYSA-N 428.533 1.261 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CC(=O)Nc3ccc(C#N)cc32)cc1OC 1584357135 AJOPLDDDHXKNRV-UHFFFAOYSA-N 429.454 1.725 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(C)C)CC1 1595517452 YWRMVFCWESJVHL-UHFFFAOYSA-N 426.521 1.754 30 10 IDEE O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cccc(C#CCO)c1 1595940774 WZNXLOJFMXKGGZ-UHFFFAOYSA-N 428.510 1.122 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(=O)(=O)CC)CCO1 1614222927 KUPXKUYHUHURTL-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CCN(CC)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1615450564 UTIASLRVTGIZPA-OAQYLSRUSA-N 447.515 1.806 30 10 IDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CCOCC1 1616762978 NDSYMLNQYJPFPQ-UHFFFAOYSA-N 425.938 1.824 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1627751982 KKXXPSWBURLLDF-HOTGVXAUSA-N 425.526 1.764 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 1630303680 GJTMRFFSJDODOC-UHFFFAOYSA-N 443.500 1.684 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1631482720 HGILWAWETFKASB-WCXIOVBPSA-N 428.551 1.460 30 10 IDEE COC(=O)c1ncoc1COCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1632040098 MOHBFQACFXJJEY-UHFFFAOYSA-N 426.429 1.727 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1632077495 BTNIWYQXHVDMFW-HNNXBMFYSA-N 427.954 1.170 30 10 IDEE COC(CN(CCCO)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)OC 1633381960 FZVLHZSUPWZEHO-TZQQIIETSA-N 425.526 1.603 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)C2)c1 1634254911 FYGSYBSBTDYBLD-UHFFFAOYSA-N 444.488 1.655 30 10 IDEE C#CCN(C(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1637761782 GAAAJSGNLLYCLI-NVXWUHKLSA-N 427.567 1.854 30 10 IDEE C[C@]1(C(=O)NCC#CCO)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1639534192 OIQYUURXVJBXDW-CRICUBBOSA-N 434.492 1.873 30 10 IDEE C#CCCN(CCOC)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1643948703 ZSUFCWJJRYSYEI-UHFFFAOYSA-N 443.953 1.271 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CC[C@H](COC)O3)ccc2c1=O 1646251517 UJLRPYYVNDGVTA-LZQZEXGQSA-N 445.541 1.906 30 10 IDEE C=CC[C@]1(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CCCN1C(=O)OC(C)(C)C 1647783600 ZVVSYUONWRUOET-GOSISDBHSA-N 427.527 1.311 30 10 IDEE C#CC1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1659142689 QSQUBPDHBCRDTQ-UHFFFAOYSA-N 437.544 1.914 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O 1666603531 FNQHZDJLGPDZSJ-GFCCVEGCSA-N 438.354 1.963 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(OC)c(O)c2)CC1 1690112280 TWKZKSVNYUWGEX-KRWDZBQOSA-N 429.521 1.520 30 10 IDEE CC[C@H](C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1694016645 AIZNAKYAPTXGLA-DTZGJHKHSA-N 441.536 1.565 30 10 IDEE CN1CCN(CCn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)CC1(C)C 1696883161 AZKMTRHUJCHHCD-UHFFFAOYSA-N 442.612 1.557 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1705496003 YEYQYLNRYCFTBS-OLZOCXBDSA-N 441.355 1.297 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705565700 JTNPRLLFKZZJRC-GOSISDBHSA-N 427.530 1.320 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705570003 JHGBJPLFECBYNN-OAHLLOKOSA-N 435.516 1.597 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@@H](C)C1 1705613042 UVHJJNDYNTXGEY-KSZLIROESA-N 439.582 1.276 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](OC)[C@H](C)CC)CC1 1705636350 GSPRPWONWBOOIE-NQIIRXRSSA-N 449.563 1.737 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCCN(C)C)CC1 1705647441 FCOWXTYSSMTSIX-IBGZPJMESA-N 432.569 1.064 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C 1705679047 AAUXCMWKNAGLIP-GFCCVEGCSA-N 427.347 1.772 30 10 IDEE Cc1ccoc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1707027943 CNEOQIAJPGYQRG-GOSISDBHSA-N 448.549 1.691 30 10 IDEE Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707906494 AZZPDZJYGQPOGS-DQRAZIAOSA-N 449.515 1.004 30 10 IDEE COCCn1cc(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)cn1 1712465772 AHKYHDMUKXQAJE-IBGZPJMESA-N 437.504 1.497 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1722293123 BPVAWCUMNDQVMC-CABCVRRESA-N 438.579 1.158 30 10 IDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1722316712 LSXJTKBDTZHLCW-KRWDZBQOSA-N 446.552 1.716 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1722360126 DGGJEPCSWDCHRQ-AWEZNQCLSA-N 429.531 1.175 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722378063 PELAWUHJEMKPSX-QUCCMNQESA-N 438.557 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCCO1 1722425407 XSJDNPKCFHVHQB-KRWDZBQOSA-N 446.577 1.893 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(OC)c2)CC1 1722430878 BXUPVFCJCWTPCI-UHFFFAOYSA-N 431.500 1.738 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1722508446 LJQOLNHCIIKZLM-KURKYZTESA-N 434.566 1.531 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1722530871 ZXDJOMWQYFMLBT-UHFFFAOYSA-N 437.548 1.668 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722609743 ZTHZNDNMSRPXMD-KXBFYZLASA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](COC)C1 1722693185 GBFDSEDLGZUJQI-ZDUSSCGKSA-N 439.314 1.190 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1722729161 XILAHLBDTAXMAV-DLBZAZTESA-N 448.545 1.659 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cs1 1725346402 XRTBJRRMSGRUKA-LJQANCHMSA-N 433.513 1.358 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C(C)C)N1CCOCC1 1726403582 HSEZMEYNJGGVNU-XLIONFOSSA-N 439.568 1.320 30 10 IDEE CCOCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729139579 KUSCOJXJZIVJEJ-SFHVURJKSA-N 442.568 1.839 30 10 IDEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729150054 GTDKHBIAOSHASG-QAPCUYQASA-N 448.549 1.374 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCN1CCCO 1730949810 RVXGDDPUZDPDJH-FAKFISEUSA-N 446.596 1.979 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740620423 WKFWTHNJQJEZCR-HXUWFJFHSA-N 440.573 1.784 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1740621319 LNZFQOJATOJEIQ-CQSZACIVSA-N 438.351 1.819 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740622203 WAJPUUAUQLDLIT-QGZVFWFLSA-N 429.546 1.926 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1740622940 LELFDVOPTOIOCD-OALUTQOASA-N 436.578 1.758 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1740671844 PYWMLDPTQJGVAJ-LJQANCHMSA-N 447.561 1.458 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1740688035 LMOVAZMQLRKHSR-JOCHJYFZSA-N 425.489 1.620 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)CCC2)CC1 1740702054 HLNCNJWPRMFWBP-OAHLLOKOSA-N 436.582 1.044 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740717995 FJYNXJRJGIULJM-OAHLLOKOSA-N 433.607 1.889 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1740726102 XYUDGWJAGBGBHC-VBKZILBWSA-N 448.524 1.658 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1740950787 HROMIDUGXFDAQH-GOSISDBHSA-N 426.521 1.766 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccs1 1740951509 HOIOVYODZWLBAD-KBPBESRZSA-N 438.579 1.594 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740989445 NCFOSBJHJVLZNA-KRWDZBQOSA-N 432.550 1.293 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740991493 XSBXETNTBFBYMP-ROUUACIJSA-N 434.566 1.297 30 10 IDEE CCS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747438229 XHRQUPVKDQJTBF-UHFFFAOYSA-N 445.549 1.095 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1748756692 RTOQJLASRSFMCD-DENIHFKCSA-N 435.576 1.666 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1748814384 FDOQZIOPKHZWTG-IEBWSBKVSA-N 445.545 1.598 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1748859324 SDTVGZHALFGKFQ-AUMHUTNHSA-N 449.577 1.428 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1748875201 MXCJFXSMCAZNTH-LJQANCHMSA-N 433.516 1.647 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1748929881 RNHQNXGXWJQYKQ-IBGZPJMESA-N 446.577 1.407 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1749015642 HWWIEXGWSAMCRV-IBGZPJMESA-N 440.592 1.891 30 10 IDEE C=C(Cl)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749284859 PQACMWXIXAAMDX-FQEVSTJZSA-N 449.943 1.658 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC2(CCOCC2)C1 1749488437 KPPFFBJXWMNOKC-KRWDZBQOSA-N 439.582 1.440 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1751021142 DYNRUUBLAPKABG-YADHBBJMSA-N 430.553 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760119864 DXWYOFMZXKFNDK-SIUCFOQUSA-N 434.500 1.884 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760189437 PCLKGQXCSOHOIP-LAUBAEHRSA-N 431.562 1.826 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccs2)CC1 1760262630 UGUPTPSXPNXLBJ-UHFFFAOYSA-N 435.557 1.511 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760280196 DKCQSRGFRHCYQZ-RTBURBONSA-N 430.578 1.867 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760442289 LOJWLKYTNJOWGV-QGZVFWFLSA-N 429.569 1.156 30 10 IDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1760510934 WLGIIQVIWAGNJV-SFHVURJKSA-N 440.614 1.847 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1760521363 QQLXYUYZPNLMQF-QZTJIDSGSA-N 440.504 1.118 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1760555011 ULDXZDSMJNPOSD-UHFFFAOYSA-N 436.557 1.938 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760555421 FQWHWXHXWXHRBE-UWVAXJGDSA-N 440.566 1.505 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOC[C@H]1C 1760558547 RYWNMZNGUTVDKS-MRXNPFEDSA-N 436.534 1.692 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCOC1 1763037414 ZDDYEOBXMQSORQ-MJGOQNOKSA-N 438.532 1.927 30 10 IDEE CCOC1CC(O)(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@]2(OCC)CCOC2)C1 1767699231 AGMJBRBQGIVAQK-AUQCUGNQSA-N 433.553 1.990 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1769946252 HGTSLCDIAMPARA-UHFFFAOYSA-N 438.492 1.171 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1771536889 DLSHCYUDXHPORJ-UXHICEINSA-N 428.512 1.584 30 10 IDEE N=C1NC(=O)[C@H](CC(=O)Nc2cccc(C(=O)ON3C(=O)c4ccccc4C3=O)c2)S1 1772791444 UNSAROPRQBEWFP-AWEZNQCLSA-N 438.421 1.550 30 10 IDEE Cc1ccc(CN2C[C@H](C(=O)N3CCC(C(=O)N=c4ccc(C#N)c[nH]4)CC3)CC2=O)cc1 1850725147 WRZCNHPKLGSJAH-OAQYLSRUSA-N 445.523 1.909 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)[C@@H]1C 1854735548 LKLAEPOSCRLESD-DLBZAZTESA-N 437.537 1.862 30 10 IDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3csc(-n4cccc4)n3)C(=O)C2)C1 1854948064 UXWURLGQJVYAFS-IRXDYDNUSA-N 426.546 1.985 30 10 IDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1857242646 MAOUJFIJGDMYBB-LJQANCHMSA-N 437.606 1.854 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CC(Cn4cc(Cl)cn4)C3)CCC2=O)CC1=O 1857334758 IGIAOXWWLQYGAP-WBVHZDCISA-N 433.940 1.268 30 10 IDEE CCCCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCOCCO 1870349803 DOXZOIGWLJCILC-UHFFFAOYSA-N 443.544 1.902 30 10 IDEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870516588 MVGFJQUWRWVLSV-UHFFFAOYSA-N 440.548 1.442 30 10 IDEE C#CCOc1cn(CCCN2CCOCC2)c(CNc2ccc3c(c2)OCO3)cc1=O 1871006899 AQKIOMNFVLEAFP-UHFFFAOYSA-N 425.485 1.923 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1879106852 MAGAYOFFKKUIQB-SFHVURJKSA-N 448.369 1.920 30 10 IDEE Cc1nn(C)c(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1890953906 BUCDHFOTAHCBLY-OLZOCXBDSA-N 427.347 1.936 30 10 IDEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1890971752 QSRWYQVFGOZVDG-OAQYLSRUSA-N 445.519 1.989 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CCCN(C(=O)OC)C3)CC2)CC1 1891137304 DVJPLHFBKZKXEW-FQEVSTJZSA-N 434.581 1.113 30 10 IDEE C#C[C@@H]1CC12CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)CC2 1892092190 SFBPUCDKJPVWQO-LJQANCHMSA-N 434.558 1.846 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1896417375 QPBNAACDCYGZFU-KGLIPLIRSA-N 425.482 1.483 30 10 IDEE C#CCN(CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)C(=O)OC(C)(C)C 1985011883 TVIUKYGNXBLFAX-HZPDHXFCSA-N 425.526 1.591 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2068912706 QHCJJGRGYYZCMH-HNNXBMFYSA-N 435.330 1.512 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2068912707 QHCJJGRGYYZCMH-OAHLLOKOSA-N 435.330 1.512 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243397728 IDEUNMICISROTR-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE CO[C@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255650133 NVLUUQADOMCPLO-CABCVRRESA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)NCc1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)n1 2255705704 ZBWOIEQQVZVKHO-UHFFFAOYSA-N 432.290 1.709 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2255770842 WJKDDMNLRKZZBN-ZDUSSCGKSA-N 438.305 1.740 30 10 IDEE C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255940393 AKPICTKPHHNKBB-MRXNPFEDSA-N 448.398 1.518 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2256614440 NAGPJFDFEMHZGD-INIZCTEOSA-N 432.326 1.761 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2256718261 PSYXIQUUDYLFMT-XHSDSOJGSA-N 438.330 1.694 30 10 IDEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267269013 AUXLOQRFHSPYHB-AWEZNQCLSA-N 449.361 1.443 30 10 IDEE Cc1c(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267507322 MHEDINRVKDWBBV-MIFYACCESA-N 446.357 1.623 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267539775 NCRXZURJDCKGOT-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267576908 QICNYRNQOKIQDF-MELADBBJSA-N 447.345 1.100 30 10 IDEE CC(C)S(=O)(=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269014904 BBCVSBNYRSHMBE-UHFFFAOYSA-N 429.778 1.717 30 10 IDEE Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCCN1CCN(C(=O)C2CC2)CC1 2297471240 CUPXIUOKCSYTRD-UHFFFAOYSA-N 426.477 1.355 30 10 IDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3N=Cc3ccc[nH]3)CC2=O)cc1 2325880622 UZMVKAPCVIVYBK-ZDUSSCGKSA-N 439.501 1.595 30 10 IDEE COc1ccccc1CCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c(O)c1 2328682434 XNWRMYRYPKIOHJ-UHFFFAOYSA-N 427.486 1.943 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)CS(=O)(=O)CC(=O)Nc3ccccc3)cc21 19978095 SJHVHKJEVACKJD-UHFFFAOYSA-N 428.466 1.834 30 10 IDEE COc1ccccc1CNC(=O)CCSc1nnc(N/N=C/c2cccc(O)c2)n1N 20915458 BFKSKKDKGRESFL-FSJBWODESA-N 441.517 1.951 30 10 IDEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccco3)n[nH]2)c([N+](=O)[O-])cc1O 59040048 DNLNLBNUYBLNBL-FBCYGCLPSA-N 447.433 1.875 30 10 IDEE CC1(C)O[C@@H]2O[C@H](COS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 229711062 UKCMSQOXSADUBO-YXMSTPNBSA-N 445.446 1.697 30 10 IDEE C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COS(C)(=O)=O 254517811 TZEYKLAAPSZABE-VDVHGLHUSA-N 438.542 1.542 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 409478250 LROAQVLOEITJAA-WBVHZDCISA-N 432.905 1.447 30 10 IDEE N#Cc1cc(Cl)cc(Br)c1N1CCN(CC(=O)N2CCOCC2)CC1 429204241 JLAWVXPJPXVBPM-UHFFFAOYSA-N 427.730 1.955 30 10 IDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 444227838 VQRQXWRIYMQWPI-IBGZPJMESA-N 433.530 1.736 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C(C)C)c1=O 478755223 MKVRCNPWMGWAOV-UHFFFAOYSA-N 433.537 1.767 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(-c2ccccc2C)c1=O 478759373 XLWTVYTZGHOAPO-QGZVFWFLSA-N 448.548 1.923 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 480103402 BOHYYCOAWYOGJG-INIZCTEOSA-N 447.561 1.412 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 480110449 NFZGVSPLMPARHO-WFASDCNBSA-N 433.515 1.311 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 488178829 BPODIGNRRHPKFY-UHFFFAOYSA-N 442.607 1.316 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1Cc1ccccc1 518065093 BYUXKFSMTZAKDI-UHFFFAOYSA-N 445.544 1.910 30 10 IDEE Cn1c(=O)c2c(ncn2CCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)n(C)c1=O 539099960 NNYROJVRMSPIMG-UHFFFAOYSA-N 442.479 1.679 30 10 IDEE Cn1ccnc(N2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)c1=O 541098298 WEMKNEOMVSGAIQ-UHFFFAOYSA-N 438.879 1.845 30 10 IDEE COC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCCC1 543231269 JADLRKCZLXNKPE-UHFFFAOYSA-N 448.545 1.698 30 10 IDEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)ccc21 544754341 YNZBEIVSLNPPLU-HNNXBMFYSA-N 447.499 1.323 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccccc2)CC1 549254178 TYKCOFFXPSHRAG-IBGZPJMESA-N 446.577 1.514 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 559002948 SXDAWRUCZRNSGF-QZTJIDSGSA-N 439.582 1.773 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=C)C)CC1 568122358 NNLDWTSSCQLZGT-UHFFFAOYSA-N 438.532 1.717 30 10 IDEE COCCn1cnc2cc(N3CCN(c4nc5c(cc4C#N)COCC5)CC3)ccc2c1=O 585567060 FSZQWNIMZLZXEN-UHFFFAOYSA-N 446.511 1.709 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)c3cccc(C#N)c3)C2)cc1 586052803 FHLGFFVYRISGQL-IBGZPJMESA-N 440.525 1.843 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccccc2)c1=O 610358223 SYNIZVKROVDGPM-UHFFFAOYSA-N 435.505 1.221 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 611108994 LODDGDJTGVYFLT-RLLQIKCJSA-N 444.557 1.922 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 614909482 PNNCVJUOJFTKCA-UHFFFAOYSA-N 429.517 1.109 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cccc(O)c2)SC1=Nc1ccccc1C#N 731313248 VAZBMZBDVVBKLS-QGZVFWFLSA-N 437.481 1.970 30 10 IDEE Cc1cc(I)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732708840 VTGMSHLKTOJRFB-AWEZNQCLSA-N 438.269 1.737 30 10 IDEE C#CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 734135342 QXUIXEAKHJUBSH-OTWHNJEPSA-N 432.542 1.425 30 10 IDEE O=C(/C=C/c1cnc(N2CCOCC2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739430375 BLZYWXAPNUCDTE-SNAWJCMRSA-N 449.554 1.897 30 10 IDEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCN(c2ccccc2)CC1 741339245 DAELAKGTDHODFZ-FVGNFYTDSA-N 426.473 1.183 30 10 IDEE C[C@H](CC(=O)N1CCCC[C@@H]1CN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742661078 GZLHEQYEARGOPG-IAGOWNOFSA-N 434.562 1.217 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(CNC(C)=O)s3)cc2C1=O 746428879 QOFRLIXPSJQMKX-UHFFFAOYSA-N 447.494 1.285 30 10 IDEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)cc1 751924593 YKAUPSVOGVGQOW-PBHICJAKSA-N 433.578 1.383 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c2C)nn1 760400350 KXUWJYNXFRKCEK-UHFFFAOYSA-N 432.506 1.903 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1 767633458 BUEYIWRHLFDMQM-KGLIPLIRSA-N 433.461 1.785 30 10 IDEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)c1 772280170 YZASYMPXGHBTEF-UHFFFAOYSA-N 432.343 1.643 30 10 IDEE C#CCN(C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 774195714 KYGMDSWTXYHCKJ-ZWOKBUDYSA-N 447.557 1.268 30 10 IDEE N#CCCCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 776117379 PBVSQXVRGRWWRN-UHFFFAOYSA-N 447.538 1.797 30 10 IDEE COc1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC)cc1Br 780778015 WLMPFPGOLDCHQY-LBPRGKRZSA-N 430.324 1.827 30 10 IDEE C#CCN(C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 783354278 BRYDEJVFRBXVFK-INIZCTEOSA-N 440.447 1.916 30 10 IDEE O=C(C[C@@H]1SC(=Nc2ccsc2)N(CCC2CS(=O)(=O)C2)C1=O)NC1CC1 790741173 GZDTXGGXWWEINU-AWEZNQCLSA-N 427.573 1.783 30 10 IDEE CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)CCN/C(O)=C2/N=CC=CC2=O)cn1 791131592 CKBBOAOXAPAKKU-LPNGOHTBSA-N 437.500 1.882 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCCCC4=O)cc3)CC2)n1 793920788 WKWZCEYPGJTTNK-UHFFFAOYSA-N 446.511 1.435 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 794579500 LBJXKZHLBLLBHR-CABCVRRESA-N 445.566 1.353 30 10 IDEE COCCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 802523771 YAFFSTPKTWDWNB-HXUWFJFHSA-N 448.531 1.841 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2Cc2cnn(C)n2)cn1 807936713 QLQQTJVJTXBHFQ-GFCCVEGCSA-N 444.443 1.232 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 812180383 VGDZKJDYAGLWFE-HNNXBMFYSA-N 441.554 1.397 30 10 IDEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CCS(=O)(=O)C2)C1=O)NC1CC1 914551375 BMPJEZOCACBKEA-LSDHHAIUSA-N 425.507 1.613 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 921163842 WRNUFHNTIWHDCU-INIZCTEOSA-N 444.513 1.694 30 10 IDEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1OC 1084155511 CHMCQCWZKHOSQH-UHFFFAOYSA-N 442.505 1.971 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)C1CCOCC1 1131256774 GAIKLOVFQNVFMU-LJQANCHMSA-N 449.529 1.849 30 10 IDEE COC[C@]1(C(=O)OC)CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1131501194 BOXWRNSXAYVIRF-VGSWGCGISA-N 442.472 1.334 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 1151412164 ULCSQGLSQNCORX-MHECFPHRSA-N 445.479 1.396 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC(O)(C(N)=O)CC1 1155732929 GYROBWVZRZMBMU-QGZVFWFLSA-N 428.489 1.231 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](c3cc(O)nc(O)n3)C2)CC1 1171665802 HHIGZLTVCNXKLY-QFBILLFUSA-N 440.479 1.225 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)CC1 1175515380 ZJPPIYFOSICXKU-UHFFFAOYSA-N 428.436 1.423 30 10 IDEE COC(=O)[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1198140927 QMIYLBFTQCRBQZ-GOSISDBHSA-N 442.516 1.516 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c1 1213638955 KKLRZQSPJUGDGO-QRVBRYPASA-N 449.573 1.423 30 10 IDEE C#C[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1ccccc1 1252459917 ZXGWDEIVVQSBMG-KSZLIROESA-N 433.530 1.789 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1286277984 JYFOZWRYKQBWGD-KGLIPLIRSA-N 431.522 1.102 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1286324448 PUMKRPJSZGJNNC-SFTDATJTSA-N 436.560 1.934 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1286407716 OYKVICGWRZTDNG-FQEVSTJZSA-N 438.576 1.585 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1286411687 ZYMSQEDYDBNINM-QHCPKHFHSA-N 436.585 1.545 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CC)CCOCC2)CC1 1286485631 RYMBCAPVMJHUJI-PMACEKPBSA-N 431.581 1.964 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCN1CCCS1(=O)=O 1286515386 XXOKWJHZQAFEEP-HXUWFJFHSA-N 436.582 1.224 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC1CC1 1286516094 CFINVRDIELFRIG-OAQYLSRUSA-N 442.545 1.742 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1286700585 PBELTOHSZIKTGB-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(N)=O)C1 1286707643 GRNHXZBLAWTZPO-ZDUSSCGKSA-N 437.342 1.950 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CCC 1286727481 RBTAAVOFYGRQTI-IRXDYDNUSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SCC)C1 1286779260 HIRMKVKOOZWRSE-LSDHHAIUSA-N 444.627 1.303 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1286787776 JJYQIWFXWZFXLC-LSDHHAIUSA-N 427.596 1.060 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1286788756 FIDDKTSIDQKSSM-SFHVURJKSA-N 430.940 1.345 30 10 IDEE CC(C)(C)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1287013644 DDJWSWXJBDXWCW-PLGXQAJASA-N 441.536 1.628 30 10 IDEE CC(C)(C)OC(=O)N(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1287047528 FFIWFNPTLSVTMR-HZPDHXFCSA-N 445.524 1.357 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1290526634 HEMGBTWJIZDDTQ-VGOFRKELSA-N 427.505 1.485 30 10 IDEE CCOCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1297585077 LUXPBHPVMFDNSW-NRFANRHFSA-N 439.564 1.408 30 10 IDEE C=CCc1cc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cc(OC)c1OC 1297866107 UDQPTCUPDKJVHM-UHFFFAOYSA-N 445.563 1.163 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1OC 1300077298 OARHHADVBAHJTN-QZTJIDSGSA-N 443.504 1.887 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1300478815 CHAKIRKMCLBFPN-HNNXBMFYSA-N 442.607 1.027 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300484597 QRBRIVFZHMFTDL-WBVHZDCISA-N 439.582 1.716 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCOC1 1300666197 VENCRDVITIHKJT-IBGZPJMESA-N 439.564 1.965 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C(C)(C)C)cs2)CC1 1300698671 XTVJNLSDKFNKRF-INIZCTEOSA-N 441.605 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N(C)C2CC2)CC1 1300726600 OJPLLRKPIJFAPH-GOSISDBHSA-N 435.576 1.712 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300761793 FAOYMLBYPDKOOL-SFHVURJKSA-N 427.578 1.882 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cnccn1 1300877387 XMUYLWOYJQYXKI-BQFCYCMXSA-N 449.581 1.338 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1301253020 VBZXRBFHZYOYRA-IBGZPJMESA-N 432.569 1.371 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1301881266 ZDSNOVFUVGYTOE-NRFANRHFSA-N 438.532 1.975 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1306255898 SIIYQYRCXOLEPO-HMWBCQRISA-N 429.525 1.108 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1358960524 GNVGFOAGWCSZDF-KRWDZBQOSA-N 432.550 1.122 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358961609 BWQRPXKWTBIDCS-LJQANCHMSA-N 436.578 1.616 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359121306 HSSDNSHPVRYJOC-GOSISDBHSA-N 429.569 1.376 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C(C)C)CC1 1359164878 BWDZDXBKWXDTKD-QGZVFWFLSA-N 426.587 1.108 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359222047 WWCYTIXGDYKKFS-INIZCTEOSA-N 427.571 1.413 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)C2CCCCC2)C1 1359319550 BBDTXKVEKRVEIV-ROUUACIJSA-N 430.553 1.802 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1360219769 VNNPQFXGJUVZJN-CQSZACIVSA-N 425.493 1.424 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1440640842 SNCWBESPSDYPKK-IAGOWNOFSA-N 442.582 1.295 30 10 IDEE CC(C)(c1nnc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)o1)S(C)(=O)=O 1440687823 XFFNAQPQLDDVOG-OAHLLOKOSA-N 435.481 1.511 30 10 IDEE Cc1ccc(C(=O)Nc2cn(C)cc(Br)c2=O)cc1S(=O)(=O)NCC#N 1446929369 ZAQAUHGJTGJNRK-UHFFFAOYSA-N 439.291 1.510 30 10 IDEE CN1CCN(CC2CN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)C2)CC1 1450177480 CBBIXJICOSPYNY-UHFFFAOYSA-N 437.504 1.691 30 10 IDEE CONC(=O)C1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1455472553 KUGWCZFCNUEIOA-MRXNPFEDSA-N 436.534 1.056 30 10 IDEE N#C[C@@]12CN(C(=O)[C@]3(F)CCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1456224509 SONRYVWOZNIYFI-VDGAXYAQSA-N 435.477 1.134 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2c(-c3cnn(C)c3)nc3n2CCCC3)cc1 1456888273 WCVFTRRSGUNLKV-UHFFFAOYSA-N 438.513 1.784 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)nn1 1456990622 DNRCCLABUDAIPL-UHFFFAOYSA-N 429.278 1.635 30 10 IDEE Cc1nsc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)c1C#N 1470978116 GRXQHUPMIYUWKK-SFHVURJKSA-N 441.561 1.451 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 1471083073 NGTXDKBINLAABU-DEOSSOPVSA-N 432.528 1.989 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1471236292 XERFWNMTZMXVGP-HNNXBMFYSA-N 434.539 1.535 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CCNC(=O)O2)CC1 1472171549 WFGZZSZNVRTFDV-INIZCTEOSA-N 448.545 1.775 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H](CO)[C@H]3C)nnc12 1472577527 KSIUCHMVXITQPH-CABCVRRESA-N 427.530 1.942 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)CC1 1476148566 OEKOXEJPPCEHAE-UHFFFAOYSA-N 435.550 1.061 30 10 IDEE CC(C)(CNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)[C@H]1COCC12OCCO2 1478796698 FCFQUFRMAJBDOQ-ZWKOTPCHSA-N 429.521 1.955 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1N1CCOCC1 1499681836 UPIRXVAEPJDNEN-AZUAARDMSA-N 437.548 1.452 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1503219619 DNZJPXPCSTYLLS-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE CN(C)c1cccnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1503391005 BDDBJQDFXHZGNF-KRWDZBQOSA-N 443.577 1.820 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1505313939 MERCGBCNERSYIY-XDOYNYLZSA-N 447.499 1.552 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1507601930 WGPMJZNSZUAKJZ-CQSZACIVSA-N 428.518 1.563 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507781752 HWTZUYDRFWDMOG-KSSFIOAISA-N 439.358 1.439 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C 1507809737 XGNAJPIXQMDUDD-NUJGCVRESA-N 432.569 1.845 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1507842952 FVUGKQLEWONCJY-INIZCTEOSA-N 444.496 1.768 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507954363 MAFIOALTBASVJL-ROUUACIJSA-N 425.599 1.693 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1 1508013917 MAFRDELZMQDJCJ-UHFFFAOYSA-N 427.534 1.813 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508139012 BULMVEPMUQKRHK-CYBMUJFWSA-N 434.444 1.047 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1508279074 PCRYQVCLFSSKIY-HXUWFJFHSA-N 446.556 1.240 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1516179172 GRTXEOZEOVTYAA-JTSKRJEESA-N 430.553 1.975 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(CC(=O)OC(C)(C)C)CCOCC1 1519190721 ISRPMSFITNKTCI-MRXNPFEDSA-N 429.521 1.914 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539053106 ZIYLOOHTJHXGAP-HKUYNNGSSA-N 441.557 1.867 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1539126562 YGQAPWGFUCKBJO-ZWKOTPCHSA-N 435.594 1.582 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CCOC)c1 1539290330 DZWYEZYWLIDXOE-UHFFFAOYSA-N 432.488 1.280 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1539299621 LBTLLNSPHRGDIN-ZJSXRUAMSA-N 443.592 1.894 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCc1ccco1 1539370300 UMPGRYMGFSUCOJ-UHFFFAOYSA-N 448.531 1.821 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(N(C)C)cc1 1540072332 KQIMIPLHYQKARG-IBGZPJMESA-N 448.593 1.542 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1540873619 DSSQGZZYIVRSHX-UHFFFAOYSA-N 426.521 1.644 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(c2cnn(C)c2)CC1 1540902374 HWNSSCDDOCQJQO-SFHVURJKSA-N 448.593 1.890 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2ccco2)N(C)C)CCOC1 1541733585 SEILWZPRLRWKTC-KGVIQGDOSA-N 444.536 1.943 30 10 IDEE COCCNC(=O)[C@@H]1CN(C(=O)COC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367934 XGEKJCNKVAUCNP-INIZCTEOSA-N 428.411 1.003 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1554241883 AYXDKAFUURMWNE-QGZVFWFLSA-N 448.549 1.093 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C)COC1 1555638840 KCYWAZBNHOUQLY-AWEZNQCLSA-N 428.493 1.574 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c1C#N 1556842468 IQMVVAOHQQRPEQ-MAUKXSAKSA-N 440.447 1.783 30 10 IDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1 1584319149 LPNKBVCAOZHNPJ-UHFFFAOYSA-N 425.461 1.459 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)n[nH]2)c1C 1584443356 PKFUBXGBZADIHC-IBGZPJMESA-N 427.553 1.749 30 10 IDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1584747702 IRSYMMFTIGKEKH-FUHWJXTLSA-N 445.321 1.861 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C)c2I)C1=O 1586646445 HZHCWPNVRWGWPO-UHFFFAOYSA-N 427.198 1.515 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1587633289 UAPJWQBCMBUFEE-HZPDHXFCSA-N 427.596 1.009 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588025167 UMJJHVOJQDKZFT-QZTJIDSGSA-N 449.577 1.100 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1588233238 DXSSFQQIHNPOPI-OALUTQOASA-N 431.562 1.430 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H]2C)CC1 1588930021 LFVMISHFVVZURO-NZSAHSFTSA-N 447.605 1.582 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1589124971 FYNUCQAOGPEXSY-HXUWFJFHSA-N 436.582 1.147 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(c2ncccc2F)CC1 1595522471 DQHMLSJWSVRNPE-UHFFFAOYSA-N 436.495 1.893 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(Cn2cncn2)CC1 1595556110 OFIVDDDKLDQEFP-UHFFFAOYSA-N 438.511 1.818 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccco3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595603076 XEQNLGVYEZTJJF-AVRDEDQJSA-N 445.520 1.792 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1595844874 IYOXSWNESBHEKB-HOCLYGCPSA-N 441.579 1.978 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N(C)CCOCc3ccc(C#N)cc3)CC2=O)cn1 1596019045 QLLCCKAAGXEGDP-LJQANCHMSA-N 425.489 1.429 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1614311739 RVWHCUJBPBITJL-UHFFFAOYSA-N 448.535 1.779 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1617174892 QBZAQAJDOWKNLW-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1617708509 FBFLJMXRAQQVNJ-MOPGFXCFSA-N 444.561 1.713 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1619452902 GVXRCHZOVJUFPZ-RKXCMPKHSA-N 445.545 1.896 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1619543872 CJEOAHRSUVKWMS-HKUYNNGSSA-N 445.545 1.349 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1nc2n(c1=O)CCCC2 1624930773 CCCHBIBMPPDFPJ-CQSZACIVSA-N 427.933 1.923 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC#Cc3ccccc3)CS(=O)(=O)[C@H]2C1 1629163509 BWNNNRTUNUNPAV-QRVBRYPASA-N 432.542 1.825 30 10 IDEE C#CCCN1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1631719495 FIELPJDANOKFJG-UHFFFAOYSA-N 434.743 1.531 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1632532805 HXEYCENETTWRJI-FUHWJXTLSA-N 431.514 1.972 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1634554679 GISLRFPOMYXQME-SFHVURJKSA-N 443.573 1.283 30 10 IDEE C=CCCC[C@@H](NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)OC 1645502944 JJUWVJGRCXAVCE-OAHLLOKOSA-N 427.523 1.897 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](CCNC(=O)OC(C)(C)C)C3)CC2)o1 1656337576 ABSIPJOOMPOZHO-KRWDZBQOSA-N 446.552 1.740 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n(Cc2ccc(F)cc2)c1C 1659825142 VVAISWFUUTZGLG-KDURUIRLSA-N 437.475 1.649 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)CC1 1674829663 HSODSSWGZNGJDA-KRWDZBQOSA-N 430.452 1.185 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 1680909833 OYLBHDRMMCEHCZ-ZDUSSCGKSA-N 437.331 1.639 30 10 IDEE C#C[C@@H](NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1682356287 DQFHOSXHPINTRX-HUUCEWRRSA-N 430.324 1.083 30 10 IDEE Cc1cccc2c1C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CO2 1684228929 YUJXXNNUFUVBGH-GOSISDBHSA-N 440.525 1.886 30 10 IDEE N#C[C@@]12CN(C(=O)NCCNC(c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1685703928 FPDDUOPPENMCPW-REWPJTCUSA-N 438.553 1.945 30 10 IDEE CSc1ccc(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1C#N 1687594673 GJPLBRNNAHWIRW-UHFFFAOYSA-N 443.573 1.926 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCCN1S(C)(=O)=O 1689975297 RAZBBOQWSDCAFB-GOSISDBHSA-N 431.562 1.913 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1689993285 ZURJOTQPYMIPCM-KRWDZBQOSA-N 431.518 1.694 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1690015514 OZJDOGIYINPHMV-JXFKEZNVSA-N 431.418 1.752 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)CC 1690040674 KWFGWQKBNCXGBN-UHFFFAOYSA-N 436.541 1.896 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1690056458 SZUHIBIQVYPFJX-INIZCTEOSA-N 425.541 1.377 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1690174832 KSCMCOZWRYAEKL-IAGOWNOFSA-N 441.623 1.604 30 10 IDEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690297759 FXOORGJAUSPEBE-JPYJTQIMSA-N 446.596 1.684 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2C)C1 1690675192 RQSKUFKWJAOKQD-IBGZPJMESA-N 438.532 1.589 30 10 IDEE Cc1nccc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CC2)n1 1693378400 HGYUMUZGHFJQPF-UHFFFAOYSA-N 448.531 1.641 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1696928787 NCZIXMJHBXHCBX-XXHMAFKTSA-N 428.493 1.477 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1705590995 BUAKGCFDPOUIMU-UHFFFAOYSA-N 437.529 1.481 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@]2(C)CN(C)C2=O)n1 1705631974 UADKGOUTZRUKKI-QHCPKHFHSA-N 448.531 1.301 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705729366 VAAWVVNVJDBXSA-UHFFFAOYSA-N 444.515 1.363 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705891050 WILUTMXWJHTMQW-XHSDSOJGSA-N 432.525 1.487 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@H](C)[C@@H]1C 1705927815 GXWAFAMTGJQNGU-LSDHHAIUSA-N 427.596 1.445 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOC1=O 1712641505 KUGVPZKWHJOLRT-XGHQBKJUSA-N 432.525 1.974 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1722352711 PKWVESIXYZUZGO-DZGCQCFKSA-N 438.579 1.249 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722405873 RFUVUAYGXJMOIU-JOCHJYFZSA-N 441.557 1.819 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccccc2F)CC1 1722441235 OIFCDLCXMONVKX-LJQANCHMSA-N 426.496 1.454 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722464866 USOVPKMXJXXPLR-JXFKEZNVSA-N 435.550 1.326 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722476564 AFTZPNNGWVESIG-QWHCGFSZSA-N 425.331 1.572 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722548429 FRMMJZNQQMBGCU-UHFFFAOYSA-N 443.899 1.042 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722588689 XPDUJDJIUZFUMW-ROUUACIJSA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722692606 SLUAQRYJXOOBQS-UHFFFAOYSA-N 445.568 1.090 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1722728586 XPKRQDIHEJHMOQ-OAHLLOKOSA-N 442.545 1.694 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1723470533 HQZNQFNOUOFBMG-DYESRHJHSA-N 433.532 1.313 30 10 IDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n[nH]1 1725452876 GGXDKPQYSWWRFE-UONOGXRCSA-N 442.549 1.744 30 10 IDEE COc1ccc(OC)c(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1730188508 DRSPJZGXGQFMEP-OAQYLSRUSA-N 428.468 1.908 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CC1 1730418467 HRXXKAGVFNONIJ-UHFFFAOYSA-N 426.521 1.664 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1731009455 VMSBFNQABQDOIV-MRXNPFEDSA-N 439.925 1.388 30 10 IDEE CS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1731021145 YIPZBQZCMONCDT-QYZOEREBSA-N 444.561 1.812 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@@H]2C)c1 1740562739 NCWSZMFMCJDYII-FXAWDEMLSA-N 449.559 1.770 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740580520 AMNOTWSWAWVOGN-QGZVFWFLSA-N 444.561 1.264 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1740687351 ALTUGWLVKUVFJW-KZNAEPCWSA-N 438.594 1.717 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1740693065 SMCGCJAQCGTJBX-WMZHIEFXSA-N 446.596 1.379 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(C)COCCO2)CC1 1740699617 NFFBIVRRHUQBKN-HSZRJFAPSA-N 425.533 1.726 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740875785 JWAUKRVHCAGJAJ-HNNXBMFYSA-N 445.611 1.007 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC(=O)NC(C)(C)C 1740955599 ZFVFKHZEJNQWEE-UHFFFAOYSA-N 444.536 1.615 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1740960187 MVIGZLCHMDQOOH-OKZBNKHCSA-N 432.569 1.605 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740984325 ZTXXOHCCQSXFDV-HOTGVXAUSA-N 445.549 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2 1740994250 LNHMDXDBXLDVNU-UHFFFAOYSA-N 437.566 1.690 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1741802084 FLINTMOSCNPQGE-YTQUADARSA-N 440.552 1.730 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOCC(F)F 1741931582 QKFHCMLLNDAFIG-GUYCJALGSA-N 434.513 1.690 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCc2cccc(C(N)=O)c2)CC1 1749009200 GFCQEWMSSAAIIJ-UHFFFAOYSA-N 434.544 1.853 30 10 IDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749098546 DQINYUJNECGWIE-UHFFFAOYSA-N 448.325 1.713 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749230238 VPDXNVZDEYRSMY-GOSISDBHSA-N 446.552 1.040 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@@H]1OC 1749598180 SQMVYBRHZOMSHP-YJBOKZPZSA-N 433.509 1.696 30 10 IDEE C=CCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749643650 YYPZAJUDKUNHAY-JOCHJYFZSA-N 433.553 1.580 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749656037 YLXCFTOAEWPXBO-HSZRJFAPSA-N 440.548 1.557 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)OC[C@@H]1C 1749677794 KXHOCCGTGWBBAK-AWEZNQCLSA-N 432.550 1.576 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749752663 YGHBTHLKAUWQLL-AWEZNQCLSA-N 425.584 1.068 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1760182215 CFCGCBHIWMJSRB-IERDGZPVSA-N 444.513 1.974 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760192814 OKBLOLKPPYIOLW-IEBWSBKVSA-N 430.530 1.813 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)C(C)C 1760249469 MIRZQACAACJYCX-HSZRJFAPSA-N 441.580 1.945 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760259867 HZKNHSWCVDHUML-KSFYIVLOSA-N 428.537 1.558 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CC2(N3CCOCC3)CCCCC2)CC1 1760263472 CHFCRGXZOHFWJZ-UHFFFAOYSA-N 430.597 1.605 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)C(=O)C1 1760353248 LBKNBPWKPVLPIU-UHFFFAOYSA-N 443.504 1.562 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760464146 AQCIBDRUHZHOIN-JKSUJKDBSA-N 446.581 1.303 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2F)C1 1760534384 XHXXJEIBPUHPSM-INIZCTEOSA-N 430.484 1.909 30 10 IDEE CC(C)(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760764887 NYYXJEXTSPTAIX-GOSISDBHSA-N 435.532 1.790 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1761448364 ZNMOYSRAGTZVOO-CRAIPNDOSA-N 433.534 1.492 30 10 IDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1762365063 AFZVKMLJPZLQHW-HNNXBMFYSA-N 427.534 1.891 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1766943858 CEVNIQGYUVYCMM-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCCCO 1767063345 BREQZHVBPLOBTD-GOSISDBHSA-N 449.602 1.804 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1767796468 GGCFVIKDLHZXMA-HNNXBMFYSA-N 449.519 1.528 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1768446723 AALHLRNVTWACHN-CYBMUJFWSA-N 433.310 1.915 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1769094602 KGXCOPQVYJRRGM-UHFFFAOYSA-N 432.550 1.460 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C#N)o2)C[C@H]1O 1769452614 ZUDSKBXNZCYIQF-RDTXWAMCSA-N 437.456 1.827 30 10 IDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1ccn(C)n1 1771111290 GCAWKYHLGPFULN-UHFFFAOYSA-N 447.503 1.937 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1771538148 DSCPVETTWLGHNC-NRFANRHFSA-N 440.529 1.496 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1772567217 XARHWVHMFVPZLV-QGZVFWFLSA-N 429.500 1.683 30 10 IDEE C[C@@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)n1nc(-c2ccc(F)cc2)ccc1=O 1849829377 YQOFYHSSRNFDRN-AWEZNQCLSA-N 433.447 1.619 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(S(=O)(=O)C(C)C)CC2)c2ccccc21 1851339411 GVCASFLKIKUVGC-UHFFFAOYSA-N 434.562 1.956 30 10 IDEE CN(C)CCON=C(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(F)c(F)c1 1853603342 WETYILJAENBMAX-UHFFFAOYSA-N 438.456 1.678 30 10 IDEE CC1(C)C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1CCC#N 1855928885 PGPXFCJPBWLDMK-UHFFFAOYSA-N 432.546 1.838 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)cc1 1865730226 YTRDLQJPJGUBSO-HNNXBMFYSA-N 426.448 1.118 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)CC1 1889383961 ZKAJZGFFAKHEOR-JOCHJYFZSA-N 425.573 1.886 30 10 IDEE COc1ccc(CNC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1OC 1890409377 FVGTZHFPYHHOPQ-UHFFFAOYSA-N 444.576 1.645 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255649274 ILENPIHKEWSTAL-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE CN(C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1)C(=O)OC(C)(C)C 2267597843 UWOYMUDJGQCZOB-CQSZACIVSA-N 449.361 1.443 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267598415 ZPBDDIHTVUNDQN-JSGCOSHPSA-N 443.275 1.996 30 10 IDEE Cc1c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2268975994 TTWJZSSRVAHGMY-MRXNPFEDSA-N 443.309 1.428 30 10 IDEE CCS(=O)(=O)NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284410678 VWYCVRDZOPTSHH-UHFFFAOYSA-N 444.167 1.921 30 10 IDEE C=CCO[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286016547 RHTDLBCBXZSJRK-MSOLQXFVSA-N 440.518 1.451 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC([C@@H](C)C#N)CC1)NC(=O)OCc1ccccc1 2286047416 GPEVAVYFTIGAKU-MAUKXSAKSA-N 437.518 1.656 30 10 IDEE O=[N+]([O-])c1ccc(C=CC=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 2297318959 QIDAZPCGULXQRX-UHFFFAOYSA-N 440.464 1.564 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2367819061 OCIDGGHYVPTAGP-DENIHFKCSA-N 434.558 1.709 30 10 IDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc([N+](=O)[O-])cc1)n2C[C@H](O)c1ccccc1 33528702 QSDAPHOPYWQFRU-RSFOSLOZSA-N 449.427 1.511 30 10 IDEE C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1CN(CC(=O)NCCN(C)C)C2=O 35968900 UIFSFIOZMHIVPV-LJQANCHMSA-N 431.924 1.366 30 10 IDEE CN1CCN(CC(=O)[C@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]32C)CC1 253532866 CZBOZZDZNVIXFC-QWMBZRJTSA-N 442.600 1.813 30 10 IDEE N#Cc1ccc(-c2nnc(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)o2)cc1 441179582 VCZNXNYYFFSJNQ-UHFFFAOYSA-N 434.481 1.986 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 443124518 BOSJMNWFZLVUHG-UHFFFAOYSA-N 449.559 2.548 30 10 IDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 460942764 DMDAPGOSYSWVLK-KRWDZBQOSA-N 430.520 1.993 30 10 IDEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462078668 ZNNXFJUQJNIAOW-UHFFFAOYSA-N 438.536 1.887 30 10 IDEE C[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1c1nccn2cnnc12 462095133 XTVIFHYMLPGQLM-CQSZACIVSA-N 429.448 1.319 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)CC2)cc1 467701132 RFFPXHXFFDPOSF-RTBURBONSA-N 432.546 1.509 30 10 IDEE CCc1c(C(=O)Nc2nc3cc(C#N)ccc3n2CC)cnc2c1c(=O)n(C)c(=O)n2C 490742635 FCDNJKXBELGYSX-UHFFFAOYSA-N 431.456 1.688 30 10 IDEE CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)[C@@H](C)n1cnc(C#N)n1 500220162 NAEPVICPSDOFGA-SNVBAGLBSA-N 425.312 1.700 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 508708185 ZZFCUERFXKZBGJ-DLBZAZTESA-N 444.561 1.925 30 10 IDEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508880044 JPVOWWSEVYBSJL-HDICACEKSA-N 440.614 1.529 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508884016 DWNWGMVGDZLQKM-UHFFFAOYSA-N 426.477 1.669 30 10 IDEE C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508885813 UFOHZVVDPGUMEQ-GOSISDBHSA-N 435.550 1.473 30 10 IDEE CCC1(CC)NC(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 523673576 RYUAFCRSQULXRO-OAHLLOKOSA-N 429.502 1.509 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 539503176 GTSKTAWQAZSVOR-LBPRGKRZSA-N 442.423 1.263 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541798722 KSLUJQMDCSELSJ-UHFFFAOYSA-N 426.498 1.708 30 10 IDEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545463882 ZQYMAJSZXHSOHJ-MRXNPFEDSA-N 428.514 1.720 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 555237795 OIIOSITUABYREF-ULQDDVLXSA-N 426.587 1.011 30 10 IDEE CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2 560730239 DTPOQTBONGUSGS-IVZQSRNASA-N 431.537 1.962 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 588152062 DIFOGOVASNGNLI-HNNXBMFYSA-N 431.583 1.422 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 685550931 XVSKHKCCZMPJLK-WBVHZDCISA-N 435.554 1.044 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCN(C)CC1 729669070 IGUNFHUTHOJVSJ-UHFFFAOYSA-N 435.553 1.552 30 10 IDEE N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCN1C1CC1 732649136 PGDIEJYVTIZIMO-MRXNPFEDSA-N 438.500 1.564 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C(C1CC1)C1CC1 734828680 WHPPOKJFRPYWGP-UHFFFAOYSA-N 445.548 1.700 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nnc(CCC(=O)OC)s2)ccc1F 736062402 SAJKPCCEOIENBR-UHFFFAOYSA-N 428.467 1.499 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NN=C2CCC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])c1 741451210 MQAFQYGTRZUAOA-INIZCTEOSA-N 432.524 1.990 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 751676458 BEKNVHCFWVLDKQ-HUUCEWRRSA-N 425.445 1.650 30 10 IDEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)c1 751921834 AIZZGFCHMMIWOV-PBHICJAKSA-N 433.578 1.383 30 10 IDEE CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 755623539 CJDLYHXRPKQZLJ-OAHLLOKOSA-N 442.585 1.675 30 10 IDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCC1 757178170 YQCNNNNQGGHWPN-UHFFFAOYSA-N 431.558 1.704 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(C(=O)NCC)C1 760923551 LEFSXVBJRISVFD-HOCLYGCPSA-N 435.550 1.204 30 10 IDEE N#C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCN1C1CC1 775219208 GAQZHXANNFBTLS-DLBZAZTESA-N 432.322 1.936 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1 789167709 ZDAOMUJNAWBEBQ-FCHUYYIVSA-N 434.544 1.647 30 10 IDEE NC(=NOCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccco1 789624325 PKTMAVVUIPRPLP-UHFFFAOYSA-N 442.881 1.230 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)n1 790109177 OTECJPDCUDPPLS-UHFFFAOYSA-N 425.464 1.809 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 802417682 VWBVODLCHPPWKG-UHFFFAOYSA-N 434.504 1.800 30 10 IDEE C[C@@H](OC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N(C)CC(=O)NC1CC1 803866119 RIBCNSPYSJJNQY-CQSZACIVSA-N 430.480 1.582 30 10 IDEE CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cn2c(n1)CCCC2 807944270 VKSKLNBEUSQACK-UHFFFAOYSA-N 448.505 1.985 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)c(C)c3)n(CC(N)=O)c2=O)cn1 808132420 LKADKVHZIFILTH-UHFFFAOYSA-N 449.536 1.004 30 10 IDEE C#C[C@@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812750826 FABJWHVZDYLJID-LJQANCHMSA-N 446.500 1.888 30 10 IDEE COC(=O)CCN(Cc1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 819005701 WGWVZZDHRWVAOA-UHFFFAOYSA-N 429.498 1.707 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)n1 849590085 WPHZKPJQGRCXPD-VXKWHMMOSA-N 426.565 1.739 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)c1 856697829 KIWNDOMCNZSJEV-HXUWFJFHSA-N 434.518 1.306 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccc(F)cc1 917776407 SNIWMIIFLAVNFK-UHFFFAOYSA-N 425.489 1.239 30 10 IDEE COC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1138089222 DWTMZBHDHZMMIE-SFHVURJKSA-N 431.470 1.241 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)c1 1141896583 KOGLFPBLASOZMT-UHFFFAOYSA-N 438.488 1.762 30 10 IDEE Cc1ccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1B1OC(C)(C)C(C)(C)O1 1154157783 HVGDGRNVBSOERR-KKIUXKEOSA-N 443.378 1.974 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3c(O)nc4cccnc43)CC2)c1 1177702829 PHJJREBECKOSBW-UHFFFAOYSA-N 439.497 1.526 30 10 IDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 1192633996 CTXKPIOMGHBIHY-FZMZJTMJSA-N 434.392 1.692 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1224127692 RRDMFFSACDSEPX-QGZVFWFLSA-N 442.582 1.455 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1228654846 AVECRKVEWAILLG-UHFFFAOYSA-N 441.509 1.655 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)OC)cc2OCC(F)F)C1=O 1279915477 GZXHPOWOWGPOFZ-UHFFFAOYSA-N 425.344 1.032 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286337796 VASQMXGYGOCVCG-IUODEOHRSA-N 436.310 1.809 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286387884 VXLGUMSAVPEEID-KRWDZBQOSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286394777 WSWMBLXNYHVPJF-MOPGFXCFSA-N 429.546 1.317 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286463224 BYDGVJUAILAOLJ-GOSISDBHSA-N 431.562 1.621 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1286480214 RWZJSODIFBSDAI-TZIWHRDSSA-N 435.576 1.505 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO2)CC1 1286488930 YMFCEDSPYGYSQZ-WMZHIEFXSA-N 445.564 1.464 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286545964 DINNUISQIDMKFD-PMPSAXMXSA-N 425.555 1.021 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNS(=O)(=O)CC)CC1 1286648373 ONBZHZKTEWOHPS-UHFFFAOYSA-N 438.579 1.365 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1286700586 PBELTOHSZIKTGB-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O)C1CC1 1286735004 KNXZFDSUTXLWBS-NRFANRHFSA-N 429.546 1.982 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286794064 VHGOWDTWDGVTGN-GOSISDBHSA-N 442.495 1.533 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286951348 VLWGSELEYXULPL-HXUWFJFHSA-N 434.504 1.445 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286967217 FMHGCAJHUBUCIT-ICSRJNTNSA-N 438.580 1.802 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H]1CCCCO1 1288117221 PLZRNBXQMZGTPR-KRWDZBQOSA-N 439.520 1.910 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCCC1=O)c1cc[nH]n1 1290673922 KARPCZNDDNNSPS-UHFFFAOYSA-N 427.461 1.132 30 10 IDEE CCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1296058900 DYYUTSVXXKGTJS-LPHOPBHVSA-N 445.593 1.881 30 10 IDEE COc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1S(C)(=O)=O 1299413591 FPWIUFJHANJMAK-UHFFFAOYSA-N 426.447 1.787 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1300362990 BNNSSXQSQOIRJB-DLBZAZTESA-N 439.582 1.418 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1300380874 JSDDZJJPCZYKRM-QZTJIDSGSA-N 433.582 1.957 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300489239 KEFTZYDJRHOXNR-UZLBHIALSA-N 449.964 1.781 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300499628 VRIBJKBHKRDBAC-SIKLNZKXSA-N 443.573 1.706 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1300664062 NTTRSIJPLRXELH-YVGXBJCXSA-N 429.546 1.242 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300692639 KLXZBDTXCFSPPX-HSZRJFAPSA-N 447.587 1.929 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)NC(C)C)CC1 1300709812 HDSBDAKUYUVIPT-UHFFFAOYSA-N 426.521 1.146 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1nc2ccccc2[nH]1 1301951546 AZNYOXDCYGTCRF-GJZGRUSLSA-N 444.565 1.993 30 10 IDEE Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1302721554 FBWMFEMPNMBLBR-YLJYHZDGSA-N 426.542 1.924 30 10 IDEE Cc1ccccc1Cc1nnc(N(C)[C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1304546206 DWRADLNZKRGUFW-ZREAOVPFSA-N 436.516 1.929 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCc3c(sc(N)c3C#N)C2)C1=O 1308132246 SUGYSPHUUWVJTI-NRFANRHFSA-N 438.513 1.449 30 10 IDEE COCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315999056 OUGMVDBORTZMNW-UHFFFAOYSA-N 439.520 1.866 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1316531659 QEUHJTYIKFSDAH-XUTLUUPISA-N 433.472 1.570 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1=O 1323952876 MZODHPRTROMMOB-DEOSSOPVSA-N 448.479 1.932 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1358927512 BBKMDRXPJVYPHT-WSTZPKSXSA-N 428.581 1.968 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1358948344 AAECNRAQULXDKL-PMACEKPBSA-N 443.573 1.323 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCOCCCO)CC1 1359033439 BYQOAKUSKPHLCJ-UHFFFAOYSA-N 448.365 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOCC(F)F)CC1 1359046361 OQHKVTQWULAJOW-UHFFFAOYSA-N 432.475 1.511 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1359055064 RFHMDPFMVRSULI-UHFFFAOYSA-N 440.577 1.972 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1359125020 MYEZWXHGZMFCOR-QFIPXVFZSA-N 426.521 1.864 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2cccn2)CC1 1359164923 CSPXFHWVDXJQMS-KRWDZBQOSA-N 435.554 1.054 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359183176 FBRFFBKVTJKTBG-HUUCEWRRSA-N 447.627 1.504 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1359736711 KGCCRSFLPBQLHM-FVGNFYTDSA-N 441.536 1.552 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1359752693 WPZVLNAQYPEAKR-MDYJUBHLSA-N 444.536 1.907 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1360481376 PSUIANNELKXPCA-HOTGVXAUSA-N 439.511 1.495 30 10 IDEE N#C[C@]12CN(C(=O)Cc3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1463162306 AWUGQYVDVGRBLO-SWLSCSKDSA-N 430.267 1.230 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1468036916 ACZPYKPXMJJDKW-IBGZPJMESA-N 443.548 1.791 30 10 IDEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1471947406 NPVSJGNPTVVYDO-UHFFFAOYSA-N 438.550 1.940 30 10 IDEE C#CC1(O)CCN(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)CC1 1477209851 FIXYRKNLEKWCEF-UHFFFAOYSA-N 432.525 1.344 30 10 IDEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1478793104 DKOBKGVXLONWMJ-UHFFFAOYSA-N 428.518 1.283 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1494183761 CYJXKSKMVDWRKX-PEQGUACKSA-N 444.536 1.701 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1499162037 DXEBRQHJKPJMPY-KDURUIRLSA-N 438.580 1.933 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1507628721 PYSRUVJXAUUSSU-KRWDZBQOSA-N 428.518 1.563 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)(C)C 1507651811 BZACCJNODPQTHJ-UHFFFAOYSA-N 448.575 1.687 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)Nc2ccccc2)CC1 1507727880 UYYDSLIVVGYDPT-UHFFFAOYSA-N 446.559 1.924 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507736782 SZRQWOZYEYCMRR-ZWKOTPCHSA-N 444.580 1.252 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507843327 LJOXJUHCUTVVHA-QGZVFWFLSA-N 433.557 1.406 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1508035007 YZCHLYHGKSPIPX-UHFFFAOYSA-N 442.520 1.087 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1508040278 VPXQJGIBLSRSCI-GBESFXJTSA-N 439.626 1.939 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(O)(c2ccccc2)CC1 1508149874 XRWYKQUQUHRVJV-UHFFFAOYSA-N 434.562 1.903 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1508786104 ZQFVTECWHHJRLC-CVDCTZTESA-N 438.532 1.709 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1510130622 BNNOAIFQLWZDGG-OAHLLOKOSA-N 435.550 1.759 30 10 IDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1512676462 MFSZQOQFFNFKGL-FGZHOGPDSA-N 427.505 1.885 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1517401007 DBIWJAUGHCSQDR-YVEFUNNKSA-N 434.298 1.243 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1518517259 BITUIQZJEYDIHI-MRXNPFEDSA-N 442.520 1.757 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1518765352 NLHYITACQNJGRZ-QRQLOZEOSA-N 442.495 1.961 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1539219259 BPKYOQOPKSNOPY-ZWKOTPCHSA-N 432.550 1.433 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnnn1CC1CC1 1539307432 SCTUPYIEDZIQGY-UHFFFAOYSA-N 446.515 1.870 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(-n2cncn2)c1 1539421414 RWONLUQJROSNGJ-UHFFFAOYSA-N 445.531 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1539430344 JCIOEOAWHZPEHS-IPJJNNNSSA-N 433.553 1.095 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)C(=O)NC)CC1 1539434332 IBYVWRZNTWLBLN-UHFFFAOYSA-N 446.559 1.863 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539434712 UIRLKFZUHFVXGA-INIZCTEOSA-N 433.965 1.788 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539499438 KPCMUNZPFMEUPS-RDJZCZTQSA-N 426.502 1.935 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539520538 SFRVPNOJKWBYSR-FQEVSTJZSA-N 426.590 1.931 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1539750937 FACUIOZMLDCBKM-IXDOHACOSA-N 439.582 1.296 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539966249 HYHMRCVMXGYISQ-HOTGVXAUSA-N 425.555 1.813 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1540170749 PXLRUMNBWXARIB-BBWFWOEESA-N 427.546 1.928 30 10 IDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1540294441 ZQCOFQYIORGHNG-UHFFFAOYSA-N 436.397 1.851 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1541096036 OXMGOVLPZPSNPE-GOSISDBHSA-N 437.504 1.066 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1542187920 QWHKNTCUMWSEAY-KRWDZBQOSA-N 437.537 1.814 30 10 IDEE COc1cc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc(OC)c1OC 1542479520 OMDRUSLMOPOVCL-IRXDYDNUSA-N 443.456 1.681 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1542624555 HDYXCXCEUUFTKE-INIZCTEOSA-N 437.518 1.316 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 1558073056 KNVUSRPHQQIXBJ-UHFFFAOYSA-N 436.534 1.188 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)OCC)Cc3ccccc3C2)s1 1584296940 OSCFMKONZNEELS-UHFFFAOYSA-N 448.566 1.972 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1587702187 PNIXQIASSGZYHG-GOSISDBHSA-N 429.569 1.802 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588050839 VUMIJXRWCIRGDD-RTBURBONSA-N 446.577 1.655 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588054289 MZFCQAUIOWBPTQ-MANSERQUSA-N 436.578 1.470 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1588128510 NBLYSKWHSAQKSS-UHFFFAOYSA-N 429.502 1.046 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCC(=O)N1CCOCC1 1588166427 GQZRAMUHAKJXHB-UHFFFAOYSA-N 437.500 1.187 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1588452252 OQMQQNGOKKJYJA-QZQOTICOSA-N 438.463 1.982 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1594824705 PDECQZZWOGEWDH-JOCHJYFZSA-N 432.569 1.294 30 10 IDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595411365 KKBJSNSACSUQPT-UHFFFAOYSA-N 430.459 1.260 30 10 IDEE CC(C)(C)c1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1597137081 LPGQOWATUFGRTC-MSUUIHNZSA-N 437.495 1.489 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1613342495 INUCCIVWQMFYGW-JKSUJKDBSA-N 429.525 1.775 30 10 IDEE CC(C)(C)c1ccnc(N[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NS(=O)(=O)c2ccccc2C#N)n1 1616131512 RIGQHIIQZJMQRF-VVWQDTPRSA-N 443.529 1.571 30 10 IDEE Cc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)N2CCOCC2)o1 1628924040 GMXCKVUIADUAPW-SFHVURJKSA-N 435.477 1.828 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)s1 1631607201 BPTZQSAUOLYLFK-KBPBESRZSA-N 441.575 1.975 30 10 IDEE CS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)ccc1Br 1634099468 BTZXFFPKBIGRDT-UHFFFAOYSA-N 427.276 1.902 30 10 IDEE Cn1cc(N2CC[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2=O)cn1 1634126551 DMNVXIRESPDFGR-GDRCOGEISA-N 442.520 1.428 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C1=O 1635154116 MFYCZQYEZINPMJ-CQSZACIVSA-N 436.509 1.505 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)C1 1638398009 QGNOFIJVEMYFRH-BJLQDIEVSA-N 429.565 1.975 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)c(=O)c1C#N 1641510631 FBUPHBYVWXDHNA-ZDUSSCGKSA-N 439.310 1.443 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1644088324 PHFNWILVMXTOHZ-MRXNPFEDSA-N 431.489 1.785 30 10 IDEE C[C@]1(C(F)F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1646123199 GFDPHOVFTIFAOG-LJQANCHMSA-N 427.473 1.842 30 10 IDEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@](C#N)(c2ccccn2)C1 1647980702 IKBPEZKDYFHEAZ-HTAPYJJXSA-N 441.557 1.334 30 10 IDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1648535034 CFGLXUAXTRYOAS-SFHVURJKSA-N 441.463 1.359 30 10 IDEE Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)c1 1648787765 XAEKAXXYMVJDGC-INIZCTEOSA-N 435.484 1.373 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 1655280338 GMDVVTTYLWWMRV-RUZDIDTESA-N 447.539 1.728 30 10 IDEE C#C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1659178374 RSHOWFZZGXPLGN-HNNXBMFYSA-N 425.938 1.645 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 1679303370 BAIUQNCSJDRRSJ-HXUWFJFHSA-N 433.578 1.008 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1682096515 WWWMQKGXIPPYDL-CTNGQTDRSA-N 430.524 1.240 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1684245972 AKKHFTCSJZOAOX-HOTGVXAUSA-N 425.526 1.946 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689997014 UIJAAYSCZBPZKV-QGZVFWFLSA-N 435.594 1.854 30 10 IDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1690013493 QOUSEXYQLXGXSX-UHFFFAOYSA-N 437.525 1.439 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1690019742 QNQCWDCSHPOAHO-QGZVFWFLSA-N 428.514 1.319 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 1690124610 OWYMCDMJUPXROM-FQEVSTJZSA-N 426.540 1.808 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C(N)=O)c2)CC1 1690129083 OWNBLSYSJINDGU-UHFFFAOYSA-N 435.557 1.536 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690233737 PXUASXYMLRUUND-KRWDZBQOSA-N 441.330 1.538 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690237312 XPIRSWXZDDYFPL-ZCNNSNEGSA-N 446.596 1.699 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690722350 GNEFTUIGCAMBRZ-HKUYNNGSSA-N 446.577 1.098 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccnn2)CC1 1690724082 HVCPTYSVOBXUNJ-QGZVFWFLSA-N 447.565 1.237 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1692562845 GOMFWDXLGBDHFI-QGZVFWFLSA-N 430.534 1.213 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1705500702 RZCFSBOMFKOIME-KRWDZBQOSA-N 432.546 1.297 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570064 JZTBXTQPMGLRIM-INIZCTEOSA-N 437.610 1.656 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1705571051 WHAWFDQTWFVOGJ-FQEVSTJZSA-N 443.573 1.216 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ncccc2F)CC1 1705647223 AUSXZFCDJJDYQX-KRWDZBQOSA-N 442.495 1.361 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](OC)C1 1705896605 RTYLKIOGHMIPAQ-MRXNPFEDSA-N 433.534 1.266 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1712624615 HYSNNNUBXSAAJF-YQPJHWBJSA-N 432.525 1.621 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(F)cc2)CCO1 1712885103 YWKZODCGTMWGOJ-CRAIPNDOSA-N 449.508 1.517 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cc(CO)nn1 1722291170 IDLZCOCRBBRIQW-AWEZNQCLSA-N 433.476 1.226 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722316078 AUKIBAKUSJRNDP-RTBURBONSA-N 435.594 1.142 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1722330194 PQXQVHFXWPGOOH-QHCPKHFHSA-N 433.516 1.568 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1722381101 HSFAJYVMANWDHR-QZTJIDSGSA-N 440.548 1.949 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCSC1 1722423497 FGFMUFPOAUSVKK-NRFANRHFSA-N 432.546 1.916 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722441170 HZOJYICXXSJGMG-HSZRJFAPSA-N 438.532 1.099 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OC)nc2)CC1 1722448842 ZMACBESRYRYBCP-LJQANCHMSA-N 438.532 1.937 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1722485712 QJQFQMATHCXZKY-UONOGXRCSA-N 449.371 1.331 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722536903 IOSWNPUUNBSGCD-QZTJIDSGSA-N 441.598 1.483 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1722623183 YOJMGUJOJUGNOQ-AWEZNQCLSA-N 436.538 1.144 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1722691975 CTDIVGZTCXHLKL-FZKQIMNGSA-N 441.363 1.836 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccco2)C1 1722709798 YLBFSQPMRBMJSF-MRXNPFEDSA-N 428.493 1.318 30 10 IDEE CC(C)OCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1723715230 HVYMOZIPONULGN-JKSUJKDBSA-N 428.559 1.164 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)CCOC1 1728777696 AYSVNAJXRPOWDT-QGZVFWFLSA-N 430.431 1.349 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1729201857 AGCDMQAIWFNUAK-GOSISDBHSA-N 440.533 1.684 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1729741323 HDYPXFPGCZJOGU-ZWKOTPCHSA-N 430.534 1.229 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1730599776 NHFAYFALVGMJQM-MMYRVIJDSA-N 441.492 1.040 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CC[C@H](C(F)F)N2CCOCC2)c1 1731180262 GAMUPVQBDFVFIE-QGZVFWFLSA-N 445.474 1.109 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1740643304 KDDAZCOINDQBLL-UHFFFAOYSA-N 436.541 1.459 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O 1740657956 DIKKBXXOVDOMPJ-UHFFFAOYSA-N 448.552 1.788 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCOC[C@@H]2C)CC1 1740697450 FAFDLHXUFQPSDH-SFHVURJKSA-N 439.520 1.329 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740885503 IKGCGZRVSZPUAC-WBVHZDCISA-N 444.540 1.397 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCSC1 1740953603 LSBDLRDSNDLKJP-OAHLLOKOSA-N 435.575 1.593 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1740959729 DEYAAWSMWRNFBB-QZTJIDSGSA-N 432.569 1.607 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(C(C)C)CC1 1740993268 VPJCMSVUEHXARJ-UHFFFAOYSA-N 432.594 1.785 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1741634515 BIAPMMUFPISUFL-IAGOWNOFSA-N 440.552 1.823 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1748698090 QMHFISKNXUKEIY-IBGZPJMESA-N 427.553 1.939 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@H]1C 1748772492 WPAKQQIJECCIQU-YWZLYKJASA-N 432.550 1.156 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749398996 YIIROFJAKYUQSP-DLBZAZTESA-N 436.582 1.590 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCOCC2)C1 1749655404 JYSJOVDKJVGDCA-UHFFFAOYSA-N 442.476 1.541 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(N)=O)c2)C1 1750377490 CQHFGRNVNOVZKN-NRFANRHFSA-N 425.468 1.298 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1750380818 ZCPADXNLPVQRSA-VWKPWSFCSA-N 430.459 1.707 30 10 IDEE CC(C)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1750610363 ZBUSDZYVDSJLCD-DYTRJAOYSA-N 437.504 1.663 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760129546 RAODXRWYZXVCSF-AZUAARDMSA-N 443.596 1.209 30 10 IDEE C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1760189942 SIVVAZGQTWQXOO-HNNXBMFYSA-N 440.529 1.141 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCS(C)(=O)=O)CC1 1760254623 CVVPNYXVWHEXGS-UHFFFAOYSA-N 438.557 1.602 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1760295002 LCPGQGYYQPCHFP-MAUKXSAKSA-N 443.520 1.648 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1760400952 USZTWWLNNUWOMY-CVEARBPZSA-N 442.486 1.895 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1760501031 FOXHISXFKOXQQS-INIZCTEOSA-N 430.534 1.790 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528752 LHJQIHQQYNIAPB-XMSQKQJNSA-N 433.553 1.628 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1760624453 MPLTUZLPVAZQTJ-FQEVSTJZSA-N 431.541 1.536 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1760693882 SMSDBBYLHQBGDX-AWEZNQCLSA-N 434.522 1.251 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1761291541 LVARQJVPTYTRTC-IIBYNOLFSA-N 434.541 1.352 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1767827361 CRCHLRAANHHAEF-INIZCTEOSA-N 431.447 1.702 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)C1 1769157425 HIOCFTVXVNDGQQ-QHCPKHFHSA-N 439.564 1.747 30 10 IDEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1770423906 CGINBZZPWCBEAW-IAGOWNOFSA-N 446.577 1.897 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1772563733 HWSHIJVWGOWDFP-GFCCVEGCSA-N 430.470 1.739 30 10 IDEE C=CCN1C[C@@H](C(=O)N[C@H](C(=O)OC)c2ccccc2I)CC1=O 1850738424 GUNIRMKIWKHHII-NHYWBVRUSA-N 442.253 1.656 30 10 IDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cccc(OC)c4)n3[nH]2)CC1=O 1852237172 JKYQJRFBYJRWPK-GJZGRUSLSA-N 436.472 1.668 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCCCN2CCN(C)CC2)c2ccccn2)c(C)c1 1853557244 IDPYDCWNHSXOJS-UHFFFAOYSA-N 445.589 1.993 30 10 IDEE C=CCC1(S(=O)(=O)N2CCC(NC3CCN(c4nc(C)cc(O)n4)CC3)CC2)CC1 1853599045 AZTFVMDGTXKQAK-UHFFFAOYSA-N 435.594 1.952 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2=O)cc1 1853983758 MTZQGZOMZIFAQQ-UHFFFAOYSA-N 433.436 1.829 30 10 IDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)c1 1854658216 DYBPGIRKFAQDMC-OAHLLOKOSA-N 427.482 1.558 30 10 IDEE N#Cc1ccc(CCC(=O)O[C@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1 1855471162 PIKYEGRFVQMNHL-GOSISDBHSA-N 428.466 1.974 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)[C@H](C)C2=O)CC1=O 1855722638 CQTXHILLRWOYJQ-SJORKVTESA-N 433.530 1.086 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)CC1=O 1856905345 VWJMMVRDNDUEFF-KBPBESRZSA-N 428.894 1.531 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC=C)c(C(=O)O)cc2=O)nc1C 1857890333 RZJCYCJCECXTRZ-UHFFFAOYSA-N 433.442 1.858 30 10 IDEE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)Nc3cccc(C#N)c3)cc2C1=O 1866618344 IKZXTQDJXKVFMO-FQEVSTJZSA-N 448.479 1.930 30 10 IDEE C#CCOc1cn(CCN2CCOCC2)c(CN(CCO)Cc2ccccc2)cc1=O 1870560678 GTIIBUFDUDWBLZ-UHFFFAOYSA-N 425.529 1.187 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 2010032333 UTBZRGLJRFFPSG-LSDHHAIUSA-N 439.509 1.826 30 10 IDEE C=C[C@]1(CO)COCCN1C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2079179276 SPSDOHIEAFBZBA-BJKOFHAPSA-N 445.560 1.932 30 10 IDEE CN(Cc1sccc1C#CCO)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2156993403 PHKYKCDDPOCUEO-UHFFFAOYSA-N 446.550 1.930 30 10 IDEE N#Cc1cc(N)ccc1S(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2162581144 USWYKFXIQUETCN-GOSISDBHSA-N 430.486 1.456 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2194173588 PGABUIFBGCWGMO-ZUZCIYMTSA-N 447.164 1.825 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]21 2255632078 ICHXWSJTCIGNHB-UHOFOFEASA-N 432.330 1.837 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCC(N)=O)Cc2ccccc2)n1 2255635906 NDXPAXZXQUOULW-UHFFFAOYSA-N 426.326 1.720 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255654898 FOKJVPKAPZUVRH-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 2255818530 MFYWHNWXMMSZTM-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE Cn1cc(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825606 CEIFBSYBVCIWDE-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2255830188 BJVYZPVCVXHDDC-KGLIPLIRSA-N 438.309 1.786 30 10 IDEE CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255839689 BTIXZHFLFZZDAN-UHFFFAOYSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256616826 FBVXFADIVURRBN-ZIAGYGMSSA-N 433.314 1.690 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256917310 SWMGGPIZKNSVMB-CJNGLKHVSA-N 429.282 1.497 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267265960 MIPZZZDYKWGFLR-GJZGRUSLSA-N 444.341 2.000 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516390 CWPFMZZULYSKQE-MOPGFXCFSA-N 441.337 1.823 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3(O)CSC3)cc2Cl)OC1(C)C 2267762319 GKSDBYFHANVQGG-UHFFFAOYSA-N 425.790 1.457 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2312639331 SZTLABRUKUXISD-UXLLHSPISA-N 435.330 1.134 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)cc2C1=O 24766988 GEIGPQQFLFEBGY-UHFFFAOYSA-N 431.456 1.177 30 10 IDEE C#CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)[C@H]1CCS(=O)(=O)C1 111047851 NDMQXZXIYGRCCA-AWEZNQCLSA-N 449.554 1.888 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H](N4C6)[C@]2(O)[C@H](OC(C)=O)[C@@H]1[C@H](O)[C@H]73 257501924 OGNUSOJAYIHLNS-ONNNDZBMSA-N 429.513 1.021 30 10 IDEE C[C@H]1CN(CCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCO1 433452460 GXVLJILGSISLJN-SFHVURJKSA-N 449.577 1.075 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)cc2C1=O 462510010 KLQFSYXYAXZUCE-UHFFFAOYSA-N 439.493 1.939 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccnc3C#N)CC2)cc1 477055263 HZNDRZBQEOYRKR-UHFFFAOYSA-N 430.486 1.264 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@@H]1CCCO1 479381584 KHKCHRSFODBHRZ-AWEZNQCLSA-N 449.985 1.929 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccco2)c1=O 484540489 FQBUVVNOPZUYMC-UHFFFAOYSA-N 437.546 1.879 30 10 IDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 549302153 LLDUASNFFMQSDT-UHFFFAOYSA-N 446.533 1.872 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N(CC(=O)N3CCCC3)C[C@H]3CCCO3)CC2)o1 564474444 RTKMBAWZSYWPGE-GOSISDBHSA-N 429.521 1.701 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1-c1ccc(F)cc1 609074631 KAHXHYHGFWNUIE-UHFFFAOYSA-N 433.386 1.704 30 10 IDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)cn2)cc1 610480047 VZYLSCSOHNPWLY-IBGZPJMESA-N 449.467 1.580 30 10 IDEE CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1 623010621 LMVOIFOOBFRWOM-UHFFFAOYSA-N 437.565 1.994 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CCN(C)C)c1 726942976 JMVNHGORBDVFEW-KRWDZBQOSA-N 432.550 1.537 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 728091884 PHZAHUSNCGZLQL-ZDUSSCGKSA-N 442.449 1.357 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ccco2)C1=O 730145067 WBOBAOPFKQTKOT-QGZVFWFLSA-N 443.529 1.578 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC(=O)N2C)cc1 734964461 YBHKJVGOLQKXFD-QUCCMNQESA-N 427.482 1.732 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C(=O)NC)cc2)c1 750566484 JREONFURWPKVCH-UHFFFAOYSA-N 441.509 1.082 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)cc1 759066498 HMLBFPVFCAXUIE-UHFFFAOYSA-N 428.532 1.278 30 10 IDEE COc1cc2c(cc1C(=O)OCC(=O)N1CCN(c3oc(C)nc3C#N)CC1)OCO2 759779499 DCXLINGWVURBLK-UHFFFAOYSA-N 428.401 1.098 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767873284 UETLPINGJILTBO-OAHLLOKOSA-N 438.534 1.687 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 780827514 HJCPBUGQUNAFJO-UDJKBAMHSA-N 439.451 1.225 30 10 IDEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(C4CC4)c3=O)n2)c1 781137197 QQBDZTKNKKWZAB-UHFFFAOYSA-N 446.536 1.224 30 10 IDEE Cc1c(CN(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cnn1C 791003898 JPLLLCPDFOWGSM-NKFKGCMQSA-N 446.533 1.138 30 10 IDEE C#CCN(C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 793153644 LSLNWWAMSBNKFN-CYBMUJFWSA-N 427.548 1.473 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1=O 804670771 CEYKJFKWUXCTBV-QZTJIDSGSA-N 444.532 1.614 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 809920759 CCDLYSKXGLKYLJ-IAGOWNOFSA-N 434.541 1.293 30 10 IDEE Cn1cc(CC(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(Cl)n1 815915211 HLNVEEKNCBZHSH-INIZCTEOSA-N 425.880 1.910 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(CN2CCOCC2)C1 816713006 XABNOOHIWVTBEM-GOSISDBHSA-N 434.562 1.075 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccccc1C 917770607 FIVHRBLEKMVQJL-UHFFFAOYSA-N 440.550 1.238 30 10 IDEE CNC(=O)c1ccccc1N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1133685805 FNJNSGDEIWOREN-UHFFFAOYSA-N 440.525 1.982 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CC1 1149999437 BONBGUMWDDWCKW-UHFFFAOYSA-N 437.481 1.525 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)c1 1154180192 BVFJJWMQZQTFLX-UHFFFAOYSA-N 442.394 1.898 30 10 IDEE CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccs1 1163188215 BMAKQOSOYSMDBD-CXAGYDPISA-N 434.543 1.498 30 10 IDEE C#CCN(CC(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1)C(=O)OC(C)(C)C 1178722239 XGZJEUOCOQXBNJ-UHFFFAOYSA-N 427.567 1.663 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1183986867 HIKDIUOHXAYJJD-UHFFFAOYSA-N 434.518 1.352 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1225172040 VHTAWDVDTATZHX-ROUUACIJSA-N 436.553 1.667 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286356028 IWLUTQWWHCJQJX-UHFFFAOYSA-N 446.563 1.793 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1286398212 VDEVXMUCTAWRSP-OAHLLOKOSA-N 444.517 1.188 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286442558 DYOZEJARQXSVDB-QHCPKHFHSA-N 435.532 1.201 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)CC2CC2)CC1 1286481873 JWMKGLVJZJQQCH-UHFFFAOYSA-N 448.618 1.214 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2)CC1 1286485508 OEFHXUUCWWCWND-GOSISDBHSA-N 444.605 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)C2CCCC2)CC1 1286485873 BFMXYBRZQHBBQR-UHFFFAOYSA-N 443.596 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1 1286487616 WVJFWDAHAHHCOZ-QGZVFWFLSA-N 435.594 1.509 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccccn2)CC1 1286494985 WNEKEGHUWMROAO-UHFFFAOYSA-N 429.528 1.867 30 10 IDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286510638 YWYYIECWSVJXLV-UHFFFAOYSA-N 449.602 1.614 30 10 IDEE C=C(C)COCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286613814 FYKWOKWQKJNBNT-QFIPXVFZSA-N 435.569 1.874 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1286785674 PGPGWHIKJZYNNW-LJQANCHMSA-N 434.500 1.927 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286828189 ILKPCAASFDABKE-AWEZNQCLSA-N 427.538 1.724 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1288099421 AVEDLGWIFKPNPG-FQEVSTJZSA-N 448.524 1.504 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1=CCCCC1 1288862421 JKNWHUTYZAQTCH-YJBOKZPZSA-N 433.582 1.565 30 10 IDEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1290513776 FKAGFERUKGRTJZ-UHFFFAOYSA-N 427.534 1.893 30 10 IDEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1(C)C 1291316166 OOEWOZQXBVUYSR-YOEHRIQHSA-N 437.504 1.809 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC=C(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1292032934 ICWXRKHMNSGPLE-CZIZESTLSA-N 441.536 1.879 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1 1293134782 YBRAVRJUUZUJNF-CSKARUKUSA-N 428.514 1.849 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1297274833 DZTFLILGAPDRIP-INIZCTEOSA-N 433.463 1.832 30 10 IDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CC1 1298037035 FUNUTJVVFCRVGL-QUCCMNQESA-N 437.548 1.771 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)ccc1F 1300233781 AUWDTPCXKKONSX-INIZCTEOSA-N 437.415 1.431 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1300311628 URSXJUPGQATYLD-HOIFWPIMSA-N 448.568 1.111 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300488035 OEOCAFPPZMTVKA-QGZVFWFLSA-N 431.562 1.870 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300499887 ZGOKGCHSHTVAMU-XDBZFTIUSA-N 434.587 1.394 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1300698485 SZZMGGIDZUFWTF-VQIMIIECSA-N 426.496 1.591 30 10 IDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301128881 CENZUYPIJMAYKX-UHFFFAOYSA-N 431.562 1.606 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1301425360 HPYZBTMZOQWBHO-FQEVSTJZSA-N 438.525 1.196 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)C2)c1 1301634526 ZHUSXWMATTWEII-UHFFFAOYSA-N 449.330 1.922 30 10 IDEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301923253 BYOXNEBCPSPREO-FQEVSTJZSA-N 434.504 1.654 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccn(CCN3CCNC3=O)n2)CC1 1303928766 NIKVJYGIGNDMIG-UHFFFAOYSA-N 430.509 1.497 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1305789243 DDNAVGQXKIDBCS-LYNVYRENSA-N 430.553 1.866 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OC 1309761892 PRKWQKYSNPDHHW-CYBMUJFWSA-N 434.308 1.951 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1358898850 BPHNSRDLFAYWOF-INIZCTEOSA-N 427.505 1.606 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1358937104 IJZHLPMTKYNPTE-IRXDYDNUSA-N 425.537 1.883 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358966009 GHKPLZYMFKXSCM-RTBURBONSA-N 448.593 1.437 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1358997940 KRGVRWGDGYYHFX-GOSISDBHSA-N 442.541 1.763 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1359031356 ZELATQDJLOOFHJ-LPHOPBHVSA-N 445.486 1.653 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(COC)c2)CC1 1359044880 QTQIHNHEOHBLOA-OAQYLSRUSA-N 437.544 1.943 30 10 IDEE C=CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359190627 WWRSUYISZWDDKV-MRXNPFEDSA-N 443.577 1.383 30 10 IDEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359285920 BIDNHCGYOPJKBA-UHFFFAOYSA-N 444.923 1.292 30 10 IDEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1359754585 HZSNSHAWOGNCCY-GOSISDBHSA-N 433.534 1.635 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C 1360277319 AUCUGGMLGIEMTJ-KRWDZBQOSA-N 425.537 1.498 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)c1ccc(Cl)c(Cl)c1 1453887254 HKMGJVFJQOSVTM-AWEZNQCLSA-N 428.297 1.882 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@H](C#N)CCc3ccccc3)ncnc1-2 1464938879 SRRBYOBXBRNFRC-AWEZNQCLSA-N 442.321 1.800 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1478337443 LHUYHWOFTGUXCW-PMACEKPBSA-N 440.544 1.572 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC(=O)NC(C)C)CCOC1 1502637918 BEELLOXYFJQTDG-QFIPXVFZSA-N 426.521 1.963 30 10 IDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1503056331 ADTLOUDBCNJWBG-RHSMWYFYSA-N 434.438 1.910 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)c1 1504344811 NMVVVOHKTUYVBA-FQEVSTJZSA-N 426.521 1.795 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1507532369 HDZGFAOTIXJPSH-JKSUJKDBSA-N 433.516 1.972 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507635384 SDYXFTNTEJSCHC-GOSISDBHSA-N 431.562 1.706 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507844672 NDRGIVCQVCWTCK-SFHVURJKSA-N 441.536 1.195 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507960604 PSASFKCBFXQJAM-UHFFFAOYSA-N 434.566 1.793 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507962215 NUELUFFXWOHKSE-UHFFFAOYSA-N 430.557 1.901 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1507965559 OHPVUSJZNGTGPW-GOSISDBHSA-N 429.525 1.305 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1508093298 HSQZSDTZHJNFQM-HNNXBMFYSA-N 430.484 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2c(ccnc2O)C1 1508140158 GNPRHHLQLNYGSV-QGZVFWFLSA-N 433.534 1.784 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nc(C)cs2)CC1 1508143929 PTBGGXBETPSWAM-UHFFFAOYSA-N 436.607 1.923 30 10 IDEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508153307 XNCPZJDHVOQKRW-KRWDZBQOSA-N 434.610 1.982 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)CC(=O)N1C 1512419246 IUVFSRCYXSZCSW-MRXNPFEDSA-N 444.561 1.699 30 10 IDEE COC[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1518708216 FDQGZPQVIQVRAK-QGZVFWFLSA-N 449.563 1.787 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCN(C)C1 1519166024 DRXQBFGGCMFEPR-QHCPKHFHSA-N 435.532 1.926 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCC(=O)N1CCOCC1 1519264132 XRNNMACYGXYCLB-KRWDZBQOSA-N 434.541 1.381 30 10 IDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C2CC2)CC1 1521120819 AUBRYHSLWUBGNE-UHFFFAOYSA-N 427.534 1.536 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@]34OCCC[C@H]3C4(F)F)CC2)cc1 1532466856 QAQYTFZLCSXMLT-MJGOQNOKSA-N 439.484 1.889 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)O1 1538456921 NCVRCXPGFLRZCZ-LWCVALJOSA-N 447.919 1.986 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539226516 ZPBRAEYOCVRHHS-OALUTQOASA-N 431.562 1.562 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1539240152 YIFABZRSYBOWRX-KRWDZBQOSA-N 439.545 1.401 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1539538400 HDAUWMDPYCBFCX-IIBYNOLFSA-N 441.561 1.930 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539626187 BHRZJGBDWQPCPR-YLJYHZDGSA-N 427.553 1.465 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539750478 AAZLZJAHHNCRQR-LJQANCHMSA-N 432.569 1.513 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539750823 CYTDVICEOPXUBN-IBGZPJMESA-N 433.553 1.450 30 10 IDEE C=C(CO)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OC)c2)C1=O 1540717349 FQBQHKZRSBNILX-ZSOIEALJSA-N 428.413 1.998 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCn2nc(C)nc2C1 1540875008 YSDGKPKTSGODBB-UHFFFAOYSA-N 436.520 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1540903120 YVPZNOPCPKGYLB-OALUTQOASA-N 443.573 1.899 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541660749 IUOVUGZPVJIIBA-FBMGVBCBSA-N 427.509 1.323 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1Cc1ccc(C#N)o1 1541924422 NLDLLYSBMMKTKD-ZIAGYGMSSA-N 430.490 1.988 30 10 IDEE CN(C)CCCN(C(=O)c1cccc(C#N)c1Br)[C@@H]1CCS(=O)(=O)C1 1545269186 AINPFOIMDUYSRC-CQSZACIVSA-N 428.352 1.902 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1548308477 KYAQSZMFGRAYII-ZWKOTPCHSA-N 433.534 1.228 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1555420619 DDVZWBWDQVHWCD-QHCPKHFHSA-N 448.531 1.721 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCOC2)c1 1555793946 DKOKFCVNHBPQES-DOTOQJQBSA-N 431.518 1.504 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 1566263588 AJEYFMDBELKBSW-ZWKOTPCHSA-N 444.532 1.012 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1cc[nH]n1 1584650239 GBCZQEWSNWHTPR-INIZCTEOSA-N 449.895 1.369 30 10 IDEE CN1C(=O)CN(CC(=O)Oc2c(Br)cc(C#N)cc2Br)C1=O 1584746893 XLNIPLBXUGUQPL-UHFFFAOYSA-N 431.040 1.883 30 10 IDEE COCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)(C)C1 1585236923 ZJYHJGWKUJKPFM-UHFFFAOYSA-N 448.589 1.528 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1588218722 AXQQXGMUPCZEOY-QMHKHESXSA-N 432.484 1.597 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](F)COC)CC1 1588955054 OXAVYJRJBKUMOU-INIZCTEOSA-N 434.541 1.584 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1589295395 FYFSABNPHLFZDJ-UHFFFAOYSA-N 448.325 1.939 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3Cc4cccnc4NC3=O)C2)C1 1593819675 OICUWCPBWLSDAX-OJLPUSQMSA-N 425.489 1.848 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1594802525 BJNVADHRVGHFDN-KRWDZBQOSA-N 425.493 1.406 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1596372019 BJZGNSWVYBIKJC-UHFFFAOYSA-N 427.509 1.813 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613281676 GUQXQYXNSWYFSF-RPKKRIRMSA-N 429.525 1.423 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1616197042 VBANLKXPOPFABD-BTYIYWSLSA-N 445.524 1.048 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCN1CCCS1(=O)=O 1617868419 BAWKZLMYDOMCHS-UHFFFAOYSA-N 437.529 1.884 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOCC1(C)C 1619399393 BGUVVSIGCZRQSN-QGZVFWFLSA-N 426.521 1.793 30 10 IDEE COCC1(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1619639727 FUURUDFUWBCDBK-DLBZAZTESA-N 437.566 1.506 30 10 IDEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1620292405 BGUHJKXBXPUFQQ-INIZCTEOSA-N 443.581 1.223 30 10 IDEE CN1CCC[C@@H](N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)C1 1621790807 CXQAOHWBCHAMNN-MRXNPFEDSA-N 427.368 1.721 30 10 IDEE COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCN(O)C3=O)ccc2F)cc1 1628547999 NVMGIXSFJHBYAH-INIZCTEOSA-N 437.449 1.745 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N(CC#N)C3CCCC3)CS(=O)(=O)[C@H]2C1 1629510492 PGWPOLKKSWRLRV-OIISXLGYSA-N 425.551 1.951 30 10 IDEE CCOc1cccc(CN(CCO)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1629955906 BECFAINPARQVDU-UHFFFAOYSA-N 431.514 1.535 30 10 IDEE C=CCC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OCC 1635698730 NXQWHXCSTAMXKJ-SNVBAGLBSA-N 439.353 1.803 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1637186715 XQNHBTBVLPGURM-IAGOWNOFSA-N 440.587 1.976 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)c1 1639505256 JQBZGYIJZLMWFW-NRFANRHFSA-N 436.530 1.461 30 10 IDEE Cc1cc2c(N3CC(NC(=O)c4cc(S(=O)(=O)CC#N)ccc4F)C3)nccn2n1 1640708143 WWAXMZQDDLURNA-UHFFFAOYSA-N 428.449 1.093 30 10 IDEE CC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1C1CCN(Cc2ccccc2)CC1 1641101667 XDBYXGRRKCQAEW-OAQYLSRUSA-N 435.528 1.970 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1644587346 JKNBBKYJOQDMOT-MOPGFXCFSA-N 444.532 1.813 30 10 IDEE C[C@@](CO)(c1ccc(Br)cc1)N1CCN(CC(=O)NC2(C#N)CCC2)CC1 1648530671 JJFFABMGGBCDSR-LJQANCHMSA-N 435.366 1.837 30 10 IDEE COC(=O)[C@@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 1654909310 HUELKMHTVHPPLH-SJORKVTESA-N 437.537 1.400 30 10 IDEE CCc1nc([C@@H]2C[C@@H](O)CN2CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n[nH]1 1656535758 IVKKJKSIHIVUAQ-CEXWTWQISA-N 441.511 1.023 30 10 IDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1664371183 AUVRYOACQMIGAM-LLVKDONJSA-N 449.266 1.409 30 10 IDEE C[C@H]1C[C@H](CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN1Cc1ccccc1 1680697979 VQYKHKDRPFELDX-WCCBULMPSA-N 430.574 1.867 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1689856157 KQXDASROWUIGDZ-GOSISDBHSA-N 434.548 1.139 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1690032468 BXVDCYWGERPGFU-MSOLQXFVSA-N 441.557 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCCC 1690043477 CHZVWHVEEJLTDK-UHFFFAOYSA-N 445.527 1.664 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1690139319 HJJWCBHOVDBRDF-VWLOTQADSA-N 448.571 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1690152725 WBJJGTIQYWJRTA-OALUTQOASA-N 430.597 1.901 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690237363 YBDIBJVKMMYMLH-HBFSDRIKSA-N 444.580 1.989 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690674005 LSFFXBWFKWBOKD-MOPGFXCFSA-N 444.605 1.780 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCCC3)CCOCC2)C1 1690684615 JLEVMAVRXXCPOC-IBGZPJMESA-N 446.596 1.843 30 10 IDEE CN1C[C@@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1696873379 DZHKOMXXOXWKRU-QHCPKHFHSA-N 444.499 1.912 30 10 IDEE COC[C@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697774019 FNYJNPSQGBVSRZ-HZPDHXFCSA-N 437.483 1.701 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1698489992 GKPCXFZGOXVDLQ-FQEVSTJZSA-N 433.509 1.298 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1705589146 NSJIZIUABISSST-DLBZAZTESA-N 447.536 1.958 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1705600318 UYNMBVWDCSFYJF-HXUWFJFHSA-N 431.544 1.700 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1705653405 GUFKBVYKYBTUDX-HNNXBMFYSA-N 427.596 1.262 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC(N)=O 1705699405 GMMWUECIKYUKGN-TYILLQQXSA-N 430.509 1.687 30 10 IDEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1705800358 VOUDZXIXDZOBSN-MRXNPFEDSA-N 430.557 1.615 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1705894400 XJSREYCPCWDMID-HBFSDRIKSA-N 446.596 1.757 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909534 ZTRUSQFFIGOGFU-JOCHJYFZSA-N 448.568 1.070 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC)CC1 1705936698 WTODVDUIARWVOX-INIZCTEOSA-N 441.554 1.399 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCOC1 1709186732 YCDFUFQYHNPOKG-ICSRJNTNSA-N 438.532 1.975 30 10 IDEE Cn1cnnc1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1711269050 ACAMCOMWLDSQIM-GFCCVEGCSA-N 447.272 1.752 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(=O)N1 1712452357 HTAXZHDAHFZLLJ-CYBMUJFWSA-N 436.314 1.681 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1712521628 KTNYUIVCAKPQRG-WBVHZDCISA-N 440.570 1.024 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](COC)OC)c1 1722308943 HZPSPISSQGOUFM-PKOBYXMFSA-N 427.505 1.500 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1722364526 HUPLLCCCUDGLTP-UYAOXDASSA-N 442.589 1.232 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1722382485 HQYAQJCHNNDLTK-HXUWFJFHSA-N 435.532 1.330 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1722397542 KVPVTZXMKVDVRO-QGZVFWFLSA-N 431.500 1.636 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)CC(F)(F)F)CC1 1722439532 GASUYOSXNWDDSE-UHFFFAOYSA-N 441.527 1.883 30 10 IDEE C#CCSCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1722463579 GTWXNGDKNOMJBW-HMFYCAOWSA-N 447.605 1.933 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1722473947 JOPFGXWHOCPDAK-FOIQADDNSA-N 447.586 1.664 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722519344 CIJZMTWDJOMRFV-IAGOWNOFSA-N 447.517 1.886 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722628007 QNHKIBJQVHZPJU-HOTGVXAUSA-N 445.524 1.906 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1722628908 CEFGFFMRAMOXNA-SFHVURJKSA-N 441.598 1.974 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@](C)(O)c1ccccc1 1722640075 ITTBFWHREQAJJI-NQIIRXRSSA-N 449.577 1.531 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1722689379 SOFFOMXFZDWREL-HNNXBMFYSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722696227 FUEOJEZRZKERRJ-HXUWFJFHSA-N 433.509 1.401 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(F)cc(C)c2C1 1722698826 NDSOAIZSJLIDEQ-MRXNPFEDSA-N 447.536 1.493 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@H]2C)C1 1722710086 CYXOKTTYOZMBEA-YYIAUSFCSA-N 427.571 1.342 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722726990 HPFVMIDZEYZGEF-FTRWYGJKSA-N 435.550 1.647 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722731180 GAWBCPSWSQGLOJ-FQEVSTJZSA-N 438.525 1.652 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1729076805 CGNGJBSMYPBPNP-GOSISDBHSA-N 430.484 1.567 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730551000 IDHVXTBEEURMNN-UAYHFDEJSA-N 444.536 1.909 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1740622386 CGMWSDGROOAYGO-LJQANCHMSA-N 441.557 1.580 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1740716692 WXKNYMLDQHETML-QGZVFWFLSA-N 426.546 1.592 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(CC#C)CC1 1740721987 ABPWALJPEKVLGX-UHFFFAOYSA-N 425.558 1.987 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1740799030 FNNVIXLSABVOTF-NJNPRVFISA-N 433.553 1.580 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740956718 YSUFFAXKDZQZDL-OAHLLOKOSA-N 427.484 1.427 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740988798 PRPRQRQJLYSEDM-INIZCTEOSA-N 447.517 1.195 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740993345 YFVNQTSYZQVFOR-IBGZPJMESA-N 441.561 1.041 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1747867981 QJVVHBFCGYKDLC-SFHVURJKSA-N 437.504 1.668 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N1CCSCC1 1748798469 AYFXHFFMECOWFK-UHFFFAOYSA-N 449.602 1.614 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)OC 1749326515 BCMQPDBRVHOSOO-RBUKOAKNSA-N 439.520 1.518 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1749494363 QNBJPXGJGVKTCV-KRWDZBQOSA-N 446.556 1.970 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)C1 1749655635 NRYUYXCRRGGAKS-AWEZNQCLSA-N 435.575 1.593 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749659104 UXFUBXRISIYGIP-LJQANCHMSA-N 447.337 1.712 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cccc(C)c1 1749734736 LTPCBOLQYOUPRK-INIZCTEOSA-N 438.575 1.857 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749755316 FGDQLYMTXYEJOH-GJZGRUSLSA-N 432.554 1.233 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNS(C)(=O)=O 1750449509 QKSTUCXFKXEUNH-UHFFFAOYSA-N 446.581 1.108 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1)N(C)C 1751148593 DIGQTXYVDHTGTE-SFHVURJKSA-N 449.563 1.739 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1760184205 GVCVNQQSAAZVRF-LAUBAEHRSA-N 427.530 1.050 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)cs2)CC1 1760389956 XPHIRNZBXPQVCL-OAHLLOKOSA-N 438.579 1.581 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCNS(C)(=O)=O 1760479549 SOCRJQXMQDRJDA-UHFFFAOYSA-N 437.529 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@H](C(=O)OC)C1 1760557255 FTWCILNOGGHCJB-SFHVURJKSA-N 432.546 1.663 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1761292041 SQZLUSIGPMSNOY-IERDGZPVSA-N 444.492 1.070 30 10 IDEE CCOC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1 1765697854 DLKJWLBUJVSSAG-HNNXBMFYSA-N 432.481 1.794 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](F)(C#N)C1 1766940481 NZFNOHJOKGBLFR-OXQOHEQNSA-N 448.524 1.870 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1)[C@H]1CCOC1 1768576352 BBOXYVYLMMHFJU-KRWDZBQOSA-N 436.472 1.977 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCOC1 1768578066 NPZCANGSUOOPEQ-SFHVURJKSA-N 445.545 1.779 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1769286429 AARVYSWCBBUPOX-UHFFFAOYSA-N 437.426 1.458 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1770646632 KUCVACILHWZMFO-TVPAPTHCSA-N 430.509 1.170 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1771252490 SCCNQLFMQQAEJC-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE COc1cccc(C#CCNC(=O)[C@@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)c1 1850605765 UGEVPULCFGGRSB-SFHVURJKSA-N 448.541 1.445 30 10 IDEE N#CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(F)(F)F)CC1=O 1853916223 MRLNSADFMRTUOF-UHFFFAOYSA-N 439.799 1.554 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1854588322 AIPAGNYRRFJFQR-OALUTQOASA-N 435.521 1.780 30 10 IDEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)CC1=O 1856505102 CTHPWSCTCUEREQ-CYBMUJFWSA-N 444.435 1.053 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCNC(C)=O)=C(N)Oc2c1c(C)nn2CC 1864319062 LXDSQMCWKCZTKR-IBGZPJMESA-N 439.516 1.723 30 10 IDEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870150487 DHCSLJMYJICLHG-CYBMUJFWSA-N 434.387 1.968 30 10 IDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 1870151011 YRRFNJZYYMQYPN-UHFFFAOYSA-N 431.456 1.872 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871517946 KUFBOUHFHKIMDM-UHFFFAOYSA-N 433.476 1.687 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C#N)c(F)c2)cc1 1891514174 ZVQPBBXPKRLTLI-UHFFFAOYSA-N 449.504 1.911 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987532719 MWOBJNLZHBFJDH-HRCADAONSA-N 425.526 1.780 30 10 IDEE C=CC1(NC(=O)[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993279102 AOYRTNCADQEUAV-FQEVSTJZSA-N 425.526 1.898 30 10 IDEE CN1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)C(F)(F)F)C1 2224135301 OQWHZDPUGFKXKM-CYBMUJFWSA-N 428.264 1.180 30 10 IDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243676075 FJMKUHFYIUKKHQ-LLVKDONJSA-N 426.348 1.747 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248405830 TXIMHBFGAPQGAD-NSPYISDASA-N 436.343 1.455 30 10 IDEE COCC1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255619618 QUNHRVBBFPSVMW-UHFFFAOYSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626283 DIAJPUKRAASPSP-LRTDBIEQSA-N 432.330 1.838 30 10 IDEE C[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2255645626 QKNZFQIWBFCILD-ZFWWWQNUSA-N 432.330 1.761 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255651783 ZTSIVXSTLPHNSR-STQMWFEESA-N 432.330 1.314 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](OCc2ccccc2)C1 2255697128 DSKUIUKUAGEANY-KRWDZBQOSA-N 426.326 1.936 30 10 IDEE Cc1nc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2255933402 OTFLVBLVSMLATH-OAHLLOKOSA-N 449.382 1.599 30 10 IDEE CC(C)(C)OC(=O)NCCc1n[nH]c(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)n1 2267284730 CIHHEDSBBDYUPQ-UHFFFAOYSA-N 446.317 1.752 30 10 IDEE Cn1cc(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267522491 VONMGPBSGUUSJY-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(Cc2ccccc2)C1 2267580946 LZXQXRAJHVQKAL-FUHWJXTLSA-N 439.369 1.755 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)n1 2334531291 YDUWUPYIMBUPGH-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCC(NC(=O)OCc2ccccc2)CC1 2367814303 IXBJHGJVXXZJRY-LVIWNVNYSA-N 434.558 1.755 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2N)cn1 59914082 QKKLMXJOYYJSLX-ZVBGSRNCSA-N 443.537 1.628 30 10 IDEE CCN(CC)c1ccc(N2/C(=N\C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 102597458 JJEVRHORUMNGOE-ZUIHOSHSSA-N 439.559 1.999 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)CC1 110576148 MMDRRHIGVSAEPU-FSSWDIPSSA-N 438.572 1.906 30 10 IDEE COc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)NCC(=O)O)cc2)cc2c1OCCO2 206086546 KSORMQFAQGNUSW-UQCOIBPSSA-N 433.438 1.725 30 10 IDEE CC(=O)Nc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 435817070 HFIJMZWPTIMXHU-UHFFFAOYSA-N 426.498 1.972 30 10 IDEE N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)n1 444504594 AJLPZABTGBXZTI-OAHLLOKOSA-N 437.435 2.331 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 518720161 HTPZWSKFEFYQFF-HNNXBMFYSA-N 446.598 1.383 30 10 IDEE N#Cc1ccccc1N1C(=O)C(SCc2ccco2)=C(N2CCN(CCO)CC2)C1=O 526693335 RJQFMNXVDAUDLP-UHFFFAOYSA-N 438.509 1.779 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCCO2)c1=O 552010251 QAJDRKHRCGRSAB-MRXNPFEDSA-N 426.542 1.393 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 570473237 QIQAXJCCNIYREI-INIZCTEOSA-N 444.579 1.429 30 10 IDEE CCOC(=O)c1sc([C@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nc1C 582272072 BCZGOANGDMRQCR-LBPRGKRZSA-N 436.515 1.656 30 10 IDEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 582562455 ZOHIPASHHSOEJZ-AWEZNQCLSA-N 439.559 1.041 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 590913999 JPFJAVKAYXRJCE-SFHVURJKSA-N 425.554 1.673 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 603591303 LMGJGSZNPMOOQX-UHFFFAOYSA-N 443.529 1.749 30 10 IDEE C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(S(N)(=O)=O)cc1 611931006 AGJMHQZAPBZNAQ-MAUKXSAKSA-N 447.586 1.455 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1cn(-c2ccccc2)nn1 726804205 VMBSFEIKHODQLQ-UHFFFAOYSA-N 425.470 1.829 30 10 IDEE N#CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 731628345 NOPQHTMOKKSWDE-BHIYHBOVSA-N 433.530 1.315 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732677203 SDAHGFJRDKBTQQ-IBGZPJMESA-N 431.562 1.743 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 733200454 FUKPZLDSWIVUKO-CXAGYDPISA-N 448.570 1.982 30 10 IDEE C=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC 734028128 BPJRHOPPGFRSPO-INIZCTEOSA-N 426.447 1.801 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC(=O)N2C)cc1 734966802 MZQBCVJQUAOBBM-UYAOXDASSA-N 427.482 1.732 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)Cc2ccccc2C1 737983703 FHVASMVEHHFMSO-IBGZPJMESA-N 441.553 1.930 30 10 IDEE C[C@H](CC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742552017 OJLCRTTXANCFBS-QAPCUYQASA-N 440.525 1.594 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2cc(-c3ccccc3)nn2)c1 762295168 VUEGRVYFCFGNHQ-UHFFFAOYSA-N 429.480 1.818 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767156374 PLKQPKBQMWDPIR-DLBZAZTESA-N 428.489 1.575 30 10 IDEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 776136492 AXYGYDOJLMQDGS-VLUKHXRESA-N 438.893 1.336 30 10 IDEE C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 781398646 AEGQUTLFBUTJEM-HNNXBMFYSA-N 441.509 1.528 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)n1 788623807 LFXNSOYNBXKWDR-UHFFFAOYSA-N 427.509 1.452 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 788883130 SRAKCEQJNDCNFP-UHFFFAOYSA-N 429.496 1.850 30 10 IDEE C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 789456468 PYTXLHYXXFXGAF-AABGKKOBSA-N 425.529 1.884 30 10 IDEE COc1cnccc1N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 793153748 RYWREKQTLUGUNN-HZPDHXFCSA-N 430.509 1.681 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1 799088127 VLIDXJVZJCDDBX-UZLBHIALSA-N 425.510 1.518 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccccc1S(=O)(=O)NC(C)(C)C 814813760 YFJMXDNKPUICMR-UHFFFAOYSA-N 428.540 1.060 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 915450291 MEYAIKKOBCQBIU-HNNXBMFYSA-N 432.296 1.308 30 10 IDEE N#CC1(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CCSCC1 1135829776 NFCSBNOANRFAKN-UHFFFAOYSA-N 436.559 1.548 30 10 IDEE C#CCCCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1141241470 DBQQAYSUODJXSR-UHFFFAOYSA-N 434.562 1.335 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1148871233 JBSVPDSRSFNNPG-PBHICJAKSA-N 446.978 1.293 30 10 IDEE C=CCOc1ccc(CC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1154702264 KOSUACHMKUBIMN-UHFFFAOYSA-N 435.468 1.771 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)cc1 1155287626 FCCQODFAMFAETG-LFUKPOHLSA-N 430.530 1.539 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)ccc1OC 1156248287 ZYUAUQPCPMBTRN-INIZCTEOSA-N 429.502 1.587 30 10 IDEE C#CCNC(=O)C1CCN(Cc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1181175092 KRTKVBMLGWOMDA-SFHVURJKSA-N 430.553 1.812 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1 1264841388 LZMUHNRFMVWUFN-SFHVURJKSA-N 427.501 1.327 30 10 IDEE C#CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 1273110371 NJFQUZALDACSFJ-UHFFFAOYSA-N 428.510 1.958 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(N(C)C)CCSC1 1286281870 JKRKOWCDIXBETF-IIBYNOLFSA-N 437.577 1.816 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286382682 KBBHTTOCLFDTRB-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286392454 MFCTURKEIGVZFA-MOPGFXCFSA-N 431.562 1.562 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1286452647 SBHRPGRRTQCEDC-HNNXBMFYSA-N 445.524 1.721 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCN(C)CCOC)CC1 1286483680 UITIVIWHMTWNDO-UHFFFAOYSA-N 435.576 1.684 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286718300 FKBJKHXEFGNDSM-HNNXBMFYSA-N 447.380 1.941 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1286781105 ONIJWOTXVCPWML-INIZCTEOSA-N 443.527 1.573 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCCC2)C1 1286815004 YTHSDSKALCGRFR-UHFFFAOYSA-N 425.555 1.167 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286821990 XPCBUUYUNPKECM-LSDHHAIUSA-N 427.571 1.791 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]2C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1288138263 WBIGZIVRZOVRKC-IGGDJGDASA-N 441.536 1.712 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1288517785 GEUADYAGHKJFTN-XLIONFOSSA-N 437.548 1.848 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1288524485 DAQJYOZPKSYBRK-HZPDHXFCSA-N 430.534 1.947 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1[C@@H]1C[C@H]1CF 1288860047 OACXIOSMRMLWHC-VNQPRFMTSA-N 448.528 1.012 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c1 1292644793 IHNUGLDOFMSPJJ-UHFFFAOYSA-N 443.529 1.730 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1293226506 AMRUIJLGDQDSSG-KRWDZBQOSA-N 433.520 1.926 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 1294552278 CQIYLICTJAEHIU-ZULIPRJHSA-N 441.528 1.560 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccncc3NC(=O)C(F)(F)F)C2=O)cc1 1297333582 GDKMJLYBYLGVLZ-OAHLLOKOSA-N 431.374 1.985 30 10 IDEE CC[S@@](=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297812752 FXXWJHZVABUOKG-CQGGRAHPSA-N 433.607 1.579 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1298020939 OTFZMAAQFWPGLV-ROUUACIJSA-N 428.489 1.550 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1300398911 IDPTXYPURPUBEI-NHCUHLMSSA-N 447.495 1.600 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC 1300806488 WWFPEQXIBAQSJF-CRAIPNDOSA-N 427.596 1.356 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cccn2)CC1 1301568108 OEEYSMBZBMONDL-UHFFFAOYSA-N 449.581 1.130 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCCCO 1305531305 IDIMFVNAHIOLSD-SJORKVTESA-N 428.541 1.567 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1)[C@@H]1CCCO1 1312541171 AQPAKLHDEMOTCL-BZSNNMDCSA-N 432.525 1.830 30 10 IDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1314474061 ZTWCSHNUMUTMDG-UHFFFAOYSA-N 426.521 1.962 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1314964502 DXGJWUOKFWUVDD-QHCPKHFHSA-N 437.548 1.941 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1320055051 OIMMPAMTICEVEX-OAQYLSRUSA-N 439.509 1.871 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCNC(C)=O)c1 1358902656 VSXLBZYGPZSKLS-UHFFFAOYSA-N 434.504 1.261 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358965806 BLLWXLKREQHLGX-BJLQDIEVSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccco1 1358982027 GWFATEGGPNPCRT-UHFFFAOYSA-N 436.497 1.365 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)F 1358987991 YXHKAOPVINJJJW-UHFFFAOYSA-N 431.443 1.807 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(=C)Br)CC1 1359043635 BRZZDACBIGEHOD-UHFFFAOYSA-N 432.326 1.553 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCSC2)CC1 1359046225 JIIGSMFAGUHWAD-NRFANRHFSA-N 445.614 1.764 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359060206 NSZRYIAFLPDHDT-HNNXBMFYSA-N 444.527 1.840 30 10 IDEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1359138391 SRYXFEYQJSKTEZ-HKUYNNGSSA-N 429.521 1.667 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1359213818 IGRCJRJDQANXGT-UHFFFAOYSA-N 430.534 1.639 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1359301129 SOTZSASAOZBCGH-KRWDZBQOSA-N 448.568 1.825 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)C1 1359321338 FFTZIXQZGIJHNK-DLBZAZTESA-N 446.577 1.471 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(CNC(C)=O)CC1 1359329346 GMFNTECXCNBGGI-UHFFFAOYSA-N 431.562 1.898 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2C)CCO1 1359446618 FPMUCFZXMFYWNA-ORYQWCPZSA-N 438.532 1.831 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1359465372 AOWUYIMLJMQFSF-IAGOWNOFSA-N 425.541 1.512 30 10 IDEE CC(=O)N(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1441008112 GMELWDCTWYVOEL-UHFFFAOYSA-N 426.498 1.444 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(NS(=O)(=O)CCC)CC2)c1 1441240324 VQRQLAYTLHHQER-UHFFFAOYSA-N 426.560 1.418 30 10 IDEE N#Cc1cc(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)ccc1N1CCC(O)CC1 1446024042 NMEPMVYUFLFSKH-IBGZPJMESA-N 426.448 1.388 30 10 IDEE C[C@@H](CC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1469336328 WLHYBLMLFKLGHA-YXJHDRRASA-N 428.514 1.935 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CNC(=O)c2ccccc2I)C1 1471832984 MTVWWCGHAWSSLD-ZDUSSCGKSA-N 425.270 1.235 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1Cl 1475201476 HQECHNJAYSAZDB-UHFFFAOYSA-N 439.925 1.782 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCCO1 1494475468 ANIDPCBEWJPMFS-MRXNPFEDSA-N 448.549 1.235 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1503365596 RGLCMJNRZFGIIL-QFIPXVFZSA-N 437.504 1.716 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1504132352 WHBXEOVNMWNJPC-FRQCXROJSA-N 429.477 1.231 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1507658630 DXZMMTDAAQRQDR-HDICACEKSA-N 443.548 1.663 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507732063 SFPWAIKLUWITIW-FQEVSTJZSA-N 443.573 1.152 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507810150 WBQKDZGDSGMKMX-FCEWJHQRSA-N 437.566 1.005 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1508070869 FVYFTYAXVOUTGP-GDBMZVCRSA-N 432.550 1.746 30 10 IDEE CC(C)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1\N=CC=CC1=O 1508924722 KSJHUVGNCNECGH-HTXNQAPBSA-N 432.525 1.763 30 10 IDEE CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1515110351 IDGOJMBVEDZTBN-OAQYLSRUSA-N 441.515 1.420 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1515917758 SSENQRBLBZHIMD-AYAKEVCGSA-N 439.520 1.903 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1519161832 MOMYWIPDNDSNMA-KRWDZBQOSA-N 449.519 1.751 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1519330393 RNRCXAQYMCHWGG-YJBOKZPZSA-N 438.492 1.564 30 10 IDEE CS(=O)(=O)c1cccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1521511283 OECFTZOMUMSCDM-SFHVURJKSA-N 440.481 1.483 30 10 IDEE Cc1cc(F)ccc1N(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1534436867 VXCWCWHNLOZUPJ-UHFFFAOYSA-N 430.461 1.425 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C(=O)NCc2nc(C#N)cs2)(S(C)(=O)=O)CC1 1536598374 JRIJBIUTMABUTF-UHFFFAOYSA-N 428.536 1.445 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539072318 PHKRKZKYLFGRES-HXUWFJFHSA-N 428.581 1.720 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1539162651 VZCWHRPQSIAOOJ-MRXNPFEDSA-N 433.534 1.456 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539225892 RXRPCVZDODTFEN-LJQANCHMSA-N 431.562 1.706 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539226512 ZNUANBVHDSUGKL-LJQANCHMSA-N 446.573 1.929 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1539446249 AITYFMREQGXMPA-SFHVURJKSA-N 440.514 1.954 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1539505560 LFIUXFGSHRSLJD-UHFFFAOYSA-N 442.589 1.578 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1539682174 PNGNEXFDAXGUBN-UHFFFAOYSA-N 446.577 1.812 30 10 IDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1540006481 VAAJOWKRUQYALA-CVEARBPZSA-N 434.541 1.864 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(N2CCNC2=O)CC1 1540872279 IZLHBTYQGJXZRA-UHFFFAOYSA-N 437.548 1.474 30 10 IDEE CC(C)N1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541627715 BIUOJJLUNWGUCS-XUTLUUPISA-N 436.520 1.397 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNS(C)(=O)=O 1542721977 FWHXQFQSGGAIPG-SFHVURJKSA-N 443.577 1.369 30 10 IDEE Cc1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1543144128 YFCLMWJBVWJYJE-XDOYNYLZSA-N 449.515 1.642 30 10 IDEE C[C@@H]1CSCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1545133378 KCENNDADAZIXPO-MVZUJROASA-N 439.545 1.732 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1545846244 HKEWDDKFACMGIZ-SFHVURJKSA-N 426.477 1.292 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 1566231727 WOTYUZZLHDYBMP-YCRPNKLZSA-N 438.525 1.720 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2S(C)(=O)=O)s1 1570365040 JWXRXZCUDBITFE-UHFFFAOYSA-N 428.557 1.475 30 10 IDEE CCOc1ccc(C(=O)N2CCC(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1583937651 NGEREKSCSCXWOO-QURGRASLSA-N 440.500 1.723 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1584573947 HYBBUYSQHBKEMQ-QTEQDKRBSA-N 428.533 1.841 30 10 IDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)CC1 1585050318 ZNMPKQPZDWGBPM-VMPITWQZSA-N 430.524 1.105 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3COCCN3C(=O)OC(C)(C)C)cc2C1=O 1586967474 OLMXYNJMLPZBED-HNNXBMFYSA-N 429.473 1.834 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1587856855 SUDGOGJEZFJECB-OAQYLSRUSA-N 442.608 1.966 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588050897 XIXKKMAFPCIFSA-LJQANCHMSA-N 445.593 1.181 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588054966 QQXFTVVYFZFZEE-IRXDYDNUSA-N 447.948 1.558 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1594813365 RIYSYCFCVBHIJP-ZWKOTPCHSA-N 448.593 1.890 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595850448 NQVRMAVRNYOXPP-HNNXBMFYSA-N 449.602 1.935 30 10 IDEE N#C[C@@]12CN(C(=O)COc3ccc(Br)cc3Cl)C[C@H]1CS(=O)(=O)C2 1611158707 BWSFBQBLSMBRMZ-BONVTDFDSA-N 433.711 1.878 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1611633423 FNYSYUOZGMQPQO-IFXJQAMLSA-N 435.575 1.554 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1611633425 FNYSYUOZGMQPQO-LIRRHRJNSA-N 435.575 1.554 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1612966339 IUMVNPXLRHZNDK-JHBCHSCWSA-N 437.504 1.406 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1612998629 PUOYDEDSGJDVKG-WMZOPIPTSA-N 444.561 1.446 30 10 IDEE C#CCN1CCCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)CC1 1618029774 FZDBBYZGEJLJRM-UHFFFAOYSA-N 444.557 1.752 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620162580 RYTPZOLYXMMORR-MRXNPFEDSA-N 449.968 1.605 30 10 IDEE C[C@H]1CN(C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C 1620319279 AVNKRTICCIZPMD-KRWDZBQOSA-N 437.548 1.594 30 10 IDEE C#CC[C@@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1629617383 NVQHAJZEMYMJGR-SZNDQCEHSA-N 440.493 1.015 30 10 IDEE Cn1cc([C@@H](O)CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1631221192 SLYRQZAAXRMYOL-OALUTQOASA-N 425.489 1.976 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)CC1 1634193001 FFZCXCSVHGIPGM-UHFFFAOYSA-N 432.521 1.971 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1635347769 JYHHKLXNUBLBGF-CABCVRRESA-N 429.926 1.708 30 10 IDEE Cn1ncnc1C1(O)CN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1 1636906963 OTORWGHKKCBUMM-UHFFFAOYSA-N 448.508 1.761 30 10 IDEE Cn1cc(I)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1638202772 DOOOLTYVVVROFH-ONGXEEELSA-N 445.261 1.514 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CCS2 1640200058 YCPCYYNTQPRUHT-HVEKOLDVSA-N 437.543 1.170 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 1641112988 NNSOCZHWNDAHJV-HTZUNMPGSA-N 449.529 1.042 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1641702080 BIQSDAJQNBTANE-AOMKIAJQSA-N 446.479 1.909 30 10 IDEE C#CC[C@H](CCOC)NC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1641788194 VXTUVYPYYDBPAJ-OAHLLOKOSA-N 425.514 1.867 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1644531451 RLMFMHJCVCLLSC-UHFFFAOYSA-N 434.562 1.097 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)C(=O)OC 1644823736 ZTSFUUVYLBPLDS-QMIVOQANSA-N 430.423 1.986 30 10 IDEE C=CCC1(O)CN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 1645229659 BPSRKFUJARVCLR-UHFFFAOYSA-N 426.330 1.855 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1645465691 RSZJJKKPLGWYMD-OAQYLSRUSA-N 431.493 1.460 30 10 IDEE C#CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCN(C)CC1 1646422011 UDKPCXGKFWFHNF-UHFFFAOYSA-N 435.546 1.072 30 10 IDEE C#CCCOc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1653117406 AOOVKBSPZXLABD-MOPGFXCFSA-N 448.541 1.947 30 10 IDEE C#CCOc1ccccc1CNS(=O)(=O)c1cnn(C)c1I 1654180782 TUFLRPXPOYDKAV-UHFFFAOYSA-N 431.255 1.515 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCc3ccncc3)CC2)CC1 1654526593 BVCBRXWSPCPGNS-OAQYLSRUSA-N 438.601 1.712 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3ccc(C#N)cc3=O)cc2)C[C@@H](C)O1 1656734925 BNHVJSJTTSPVAJ-HUUCEWRRSA-N 430.486 1.157 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 1673635166 IZLYNHXKKCSHLJ-CYBMUJFWSA-N 430.429 1.771 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cc1 1679943740 AUDVNMGFBOKNQS-RKVPGOIHSA-N 443.504 1.859 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCc4ccc(C)c(C#N)c4)CC3)C2=O)n(C)n1 1685107394 VSDABFMJSQCJHS-OAQYLSRUSA-N 449.559 1.931 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(F)(F)F)cs1 1689946727 VEKMUPLZSKDFBA-SNVBAGLBSA-N 436.485 1.676 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC(C)(C)C1 1689964633 TXJYLMOMGVLIIE-UHFFFAOYSA-N 438.580 1.632 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1689989516 GJEVACREQVBICS-OALUTQOASA-N 444.557 1.856 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1690124024 CXJMNNROSFDKHT-IBGZPJMESA-N 443.573 1.183 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccoc2)CC1 1690137439 YWEQXYGNSWCXFV-UHFFFAOYSA-N 433.472 1.533 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1690146222 IOMXMKBEPRFEEQ-NRFANRHFSA-N 444.624 1.799 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690508515 KHJQLZQUUBNPAD-VFNWGFHPSA-N 432.525 1.189 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1690673408 VMGQCUMYYOGPSE-UHFFFAOYSA-N 443.515 1.159 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1 1690680354 PQFLBLZDJHCPRR-QRVBRYPASA-N 427.505 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1690724304 LRVQSCMHUYAIQV-MSOLQXFVSA-N 437.610 1.693 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1692882829 DZHKCBOHIXVKHG-UHFFFAOYSA-N 447.499 1.865 30 10 IDEE Cc1ccc(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1693114345 OLCZXEIXVHVIEZ-XOMICKMZSA-N 435.488 1.832 30 10 IDEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1694208106 BJWUKYSWERNGTF-QGZVFWFLSA-N 425.537 1.785 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CC2)c1 1696620709 LXHNVCZYDQOQQU-SFHVURJKSA-N 434.497 1.162 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1705478212 XZUBMDVPCSUTCV-IAGOWNOFSA-N 446.577 1.231 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705572150 SGANEDPOQOFWTM-KBPBESRZSA-N 438.472 1.409 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1705628474 HZDYDAYQOMICPU-GOSISDBHSA-N 442.545 1.385 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CCOCC)CC2)CC1 1705631846 BIUPNXPSFWZBSJ-UHFFFAOYSA-N 437.548 1.887 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCNS(C)(=O)=O 1705704869 AAPDRZCYLCSIHJ-IEBWSBKVSA-N 434.566 1.231 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1705736619 XXWMRGSEGUJLIC-UHFFFAOYSA-N 446.508 1.069 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(N)=O)cc2)CC1 1705762748 HKKSXDUHBJQQOM-AWEZNQCLSA-N 433.538 1.584 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705905316 RBYNFAYIJOEUNN-GOSISDBHSA-N 430.940 1.929 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(=O)OC)C1 1705907809 YHPLZSDWKRNMLL-KRWDZBQOSA-N 427.505 1.591 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(=O)OC)CC2)C1 1705916201 ZVMLHQMIDKXPEX-SFHVURJKSA-N 446.552 1.774 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1706011678 FGAXLMGSPSZOJC-CQSZACIVSA-N 445.549 1.635 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706587733 OTSPQYIBHPESOV-OSCRUYLVSA-N 441.536 1.735 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCSCCCO)CC2)c1C#N 1707808083 YWGIKDJSRCACNL-UHFFFAOYSA-N 430.582 1.511 30 10 IDEE CC[C@@H]1CCCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1709251246 CEPSMEXLUZXOPN-SQGPQFPESA-N 438.573 1.887 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1709849989 AEDZNBWKWCBKJX-UHFFFAOYSA-N 441.536 1.606 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1710314258 AMWIDRHCHIAXPO-SFHVURJKSA-N 442.520 1.757 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1712624613 HYSNNNUBXSAAJF-LXMAKODISA-N 432.525 1.621 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)C1 1712874907 FSDMNSLOJHGMCM-LJQANCHMSA-N 430.513 1.416 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1722281561 UZIYHVYSKHWFMB-LBPRGKRZSA-N 426.340 1.715 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722300524 CWZWDHHDNIEHAB-KRWDZBQOSA-N 446.573 1.470 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1722389604 KLDBWVDTBGDNIC-IIBYNOLFSA-N 447.561 1.469 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722609541 XMZTVCLXYCSRPS-QGZVFWFLSA-N 448.597 1.588 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722628050 RNIIJAJYQBCQQR-GOSISDBHSA-N 445.568 1.550 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1722699519 JMTBJQQUADQHMZ-UHFFFAOYSA-N 426.496 1.417 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1730887791 LZBWMANYALBRBG-JTSKRJEESA-N 439.520 1.828 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(NC(C)=O)nc1 1740605289 QJUSNVBBXDNTIS-UHFFFAOYSA-N 428.460 1.392 30 10 IDEE C#CCN(c1nnc(C)n1CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1740617641 UTJIHQYMHMFHTB-HXUWFJFHSA-N 442.520 1.781 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1740620968 IWWOJWCALCQXKF-FQEVSTJZSA-N 437.525 1.507 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1740623249 QLHJNKGBQWIMNV-INIZCTEOSA-N 434.591 1.895 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCS(=O)(=O)C1 1740643718 MQJJMYDIZNQZGV-SFHVURJKSA-N 426.542 1.927 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCn1cc(Br)cn1 1740678360 KUSHTZWPPILDAG-UHFFFAOYSA-N 438.330 1.162 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1740702099 IIPXFXHOKJHDAK-UHFFFAOYSA-N 444.624 1.777 30 10 IDEE C#CCSCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740722001 AQJPURDERKYTEM-NRFANRHFSA-N 448.593 1.291 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1740810891 IKFPSJLREBAXAN-HNNXBMFYSA-N 429.930 1.901 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CCOC)C(=O)C2)cc1 1740967589 LFMRHAPMBDNDSG-IBGZPJMESA-N 441.532 1.690 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740994863 VSQOBNYYXQFCJW-OALUTQOASA-N 448.593 1.603 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1741130569 AEXQYPYUHKDCIM-GJZGRUSLSA-N 440.570 1.691 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)C1 1746947432 FLURPTUYNRSRAK-LYGNXSNRSA-N 425.489 1.746 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1747704448 HNDJHYRMTLEJSP-GOSISDBHSA-N 442.545 1.562 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1748319202 GNSUONRHCSSCEK-IVZQSRNASA-N 425.489 1.746 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCCc1ccccc1 1748640769 ADYPHAWQZIIWNX-JPYJTQIMSA-N 425.533 1.747 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1748730816 UTWJGYLNKYBHDD-UHFFFAOYSA-N 427.553 1.655 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1748863844 IXKHJPBLCKGVDS-ZWKOTPCHSA-N 443.577 1.434 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748970547 JDZBIKIMEOXWPP-ZWKOTPCHSA-N 440.552 1.716 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N2CCCCC2)CC1 1748993755 KULVUXQQUKACMT-UHFFFAOYSA-N 441.605 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2C[C@@H]2C)CC1 1749003309 FHPKBAYSIJDVEP-GWJPWWOOSA-N 429.565 1.941 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1749268608 DEMYEZPXAZIMTE-LSDHHAIUSA-N 433.962 1.225 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1749493437 FJYCMIFURIWWEZ-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cnc2ccccc21 1749494964 ZLFXTPJJSORZJY-GOSISDBHSA-N 445.549 1.283 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749655321 HSUCZWDNMGFNGC-OAHLLOKOSA-N 427.465 1.118 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2CCC[C@H]21 1749735246 QIBPGGVMWDBYQF-ARFHVFGLSA-N 428.580 1.160 30 10 IDEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1750328187 BDTRCJQZKZIKPA-UHFFFAOYSA-N 439.589 1.970 30 10 IDEE C[C@@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)c1ccco1 1751244708 CVTAJSFWMVFBOJ-OXJNMPFZSA-N 433.534 1.811 30 10 IDEE C[C@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1752193954 DPPHCUPPXXIWMD-SFHVURJKSA-N 437.548 1.596 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1760117788 UAYHHDPTRYMRFV-FRYIKTPZSA-N 443.573 1.873 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760137393 JHMPTNAHTOZGOG-QGZVFWFLSA-N 435.594 1.725 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1760229690 BFEWAQVAWWNKOL-OAQYLSRUSA-N 449.563 1.737 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1760272214 CLCGMPKEPOKLIR-UHFFFAOYSA-N 438.561 2.000 30 10 IDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1760352637 UMEBKQWOVMLEOE-INIZCTEOSA-N 446.939 1.766 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760389835 VGAGYNVYEFWZTN-OALUTQOASA-N 437.610 1.693 30 10 IDEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1760475774 UIGLAZWIWKCXLX-FQEVSTJZSA-N 436.509 1.701 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760804696 ATEWPUYIHAZPAJ-YIKLWRCUSA-N 434.610 1.896 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1763176673 BJTBYLFBEYMATG-IYBDPMFKSA-N 447.499 1.885 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1(=O)=O 1769846613 AHSOORUJCMHWLH-SFHVURJKSA-N 432.550 1.598 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)C1 1771527732 DLJFIKAOONWHFG-LJQANCHMSA-N 429.412 1.154 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOCC2CCOCC2)c1 1771532282 VKOUEFVIWLZOEE-UHFFFAOYSA-N 438.532 1.976 30 10 IDEE NC(=O)[C@@H](N)CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 1775955849 LZBBYHOISLTCKC-SFHVURJKSA-N 441.488 1.788 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)cc1 1848928184 WMKQBCYZPGIRRV-UHFFFAOYSA-N 437.525 1.842 30 10 IDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC(N4CCC(C#N)CC4)CC3)cc2C1 1849072283 ZNWWPYDZQPVWJM-UHFFFAOYSA-N 430.574 1.980 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)ccc1F 1857093542 SXTXPPRGWFBZAT-ZDUSSCGKSA-N 433.436 1.827 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858337312 ZEPUJJHYMGRLNB-MRXNPFEDSA-N 435.527 1.617 30 10 IDEE COc1ccc(CCNC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1OC 1858422614 XNARAAWMNGOQFO-SFHVURJKSA-N 443.525 1.945 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCCCCC2)cn1CCNC(C)=O 1870498534 NNWVWMTYWFTABK-UHFFFAOYSA-N 444.576 1.940 30 10 IDEE COc1ccccc1C1(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)CC1 1889412300 DHEXUUUYOXOTFU-UHFFFAOYSA-N 425.573 1.985 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)CC1 1891074272 ICTJPGYPDOXNED-UHFFFAOYSA-N 444.532 1.866 30 10 IDEE CC#CCN(CC(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900625581 OTUUZTSDVKCBGF-UHFFFAOYSA-N 425.526 1.735 30 10 IDEE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060627175 GNBXSRLNZGQNFQ-FQEVSTJZSA-N 436.318 1.644 30 10 IDEE CN1C[C@H](C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)N(C(=O)OC(C)(C)C)CC1=O 2124534934 VEFIPAHREYJDKA-DLTWYDFYSA-N 449.357 1.615 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2255611229 RXMJMAJFQDURDP-ZFWWWQNUSA-N 434.346 1.845 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255712073 IIAIORYHADUDBZ-OAHLLOKOSA-N 435.330 1.680 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](F)C1 2255830187 BJVYZPVCVXHDDC-KBPBESRZSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267093587 VZOQZBJTQOKTRH-ILXRZTDVSA-N 448.329 1.073 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)n1 2267178993 JXYYAVHFODVKDM-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267509784 APYBEAQXWHSPTO-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(Cc2ccccc2)C1 2267537144 OSJHILKZKQNWKH-FUHWJXTLSA-N 439.369 1.755 30 10 IDEE CO[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267592495 MZLXUCLVCJNXCS-JKSUJKDBSA-N 447.341 1.745 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303111972 OHPLQCNTYYGMOT-GBJTYRQASA-N 426.319 1.022 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1)C(=O)O 2304803985 GEWRCIYENCUAEW-CYBMUJFWSA-N 426.250 1.877 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2cc(OC)c(OC)c([N+](=O)[O-])c2)c1 2323374811 MFGFBQCKKNXTAN-UHFFFAOYSA-N 425.419 1.942 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2334530108 GRDPVNAMLNGTIF-MJBXVCDLSA-N 447.345 1.242 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2337205906 FLCFIPDYQHFEIE-RYUDHWBXSA-N 442.247 1.097 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)cc1 20292329 YPISNNKSTMEWGJ-LSHDLFTRSA-N 443.489 1.266 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CC(F)F)CC3)nnc12 61601616 HTWCXYBPNGNELO-UHFFFAOYSA-N 448.499 1.732 30 10 IDEE C=CCNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1 65152088 DLOUGPAGWIHOBR-UHFFFAOYSA-N 447.561 1.728 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 104571875 NUTCFYRFFPAYDJ-GOSISDBHSA-N 435.436 1.449 30 10 IDEE CC(=O)Nc1ccc([C@H](O)C(=NNC(=N)N)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 254304418 XFCJYQDSCMANJX-KRWDZBQOSA-N 438.404 1.123 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 254844406 JUTZGAXGVOZWTM-CABCVRRESA-N 428.507 1.720 30 10 IDEE Cc1ccc(CCS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 409528971 MOUMJVHJSNODEU-UHFFFAOYSA-N 433.555 1.746 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 427219525 YTPXBVUGCUHICG-UHFFFAOYSA-N 448.430 1.687 30 10 IDEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)c2cc(C#N)c(SC)nc2O)C1=O 472410345 PIAVRIRNGVQOBY-GFCCVEGCSA-N 432.483 1.764 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1C[C@@H]1CCCO1 504057916 MYUHSQGCGLPJLR-INIZCTEOSA-N 443.956 1.856 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)CCNS(=O)(=O)c3ccccc3)cc2C1=O 549205066 RNYLYLCCXWYQLF-OAHLLOKOSA-N 441.509 1.956 30 10 IDEE C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccc(OCC(=O)NC2CC2)cc1 585721692 SPYHPBRXFSEEGO-CQSZACIVSA-N 438.459 1.848 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1 604070262 DPTYIVYADMVMTF-UHFFFAOYSA-N 425.510 1.894 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCc2ccc(C#N)cc2F)CC1 609742750 ZMIITHJVVHZYNT-UHFFFAOYSA-N 445.520 1.633 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 614909562 UUEFNJZEXUQWEH-UHFFFAOYSA-N 445.972 1.624 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 614909754 ZNUHDOPIDVJFGU-UHFFFAOYSA-N 431.583 1.340 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2cccnn2)CC1 725736215 DZXHQCIBLDMICI-QGZVFWFLSA-N 442.545 1.423 30 10 IDEE C#CCN(C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 729332992 HKAMJIZNFBFBTI-HXUWFJFHSA-N 431.558 1.599 30 10 IDEE N#C[C@H]1CN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCN1C1CC1 732648809 IDADVOFIUBKDBB-KRWDZBQOSA-N 427.530 1.046 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742503419 YPWACGVWWSJERF-HNNXBMFYSA-N 438.513 1.119 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 762248232 LSSRJIKUOXBIFX-UHFFFAOYSA-N 431.518 1.786 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 774258015 ROZBEGHYMDRBKY-QGZVFWFLSA-N 433.578 1.473 30 10 IDEE C[C@@H]1CC(=NC(=O)C[C@]2(C(=O)N=C3C[C@@H](C)ON3)CCN(C(=O)OC(C)(C)C)C2)NO1 777436651 SWUVTXOWPSAYOE-VFGMZZLHSA-N 437.497 1.481 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781660405 IUPCJTBOIODFFQ-UHFFFAOYSA-N 436.537 1.125 30 10 IDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)C1CCN(C(=O)N2CCCC2)CC1 787055694 BJPJIBQXOAPCHB-GOSISDBHSA-N 427.461 1.848 30 10 IDEE C[C@H](CC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 802246520 XYNCELWCKBQXQJ-ZRGWGRIASA-N 435.546 1.188 30 10 IDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)ccc21 802777432 STDXSFMZGYYNDY-UHFFFAOYSA-N 428.445 1.424 30 10 IDEE CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 803923323 WXXWJLMTFVRIKQ-UHFFFAOYSA-N 444.507 1.331 30 10 IDEE Cc1c(NC(=O)[C@H](C#N)C(=O)Cc2cn(C)nc2Cl)c(=O)n(-c2ccccc2)n1C 815911188 UOWIQQYKTOIZHL-OAHLLOKOSA-N 426.864 1.761 30 10 IDEE C=CCO[C@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1116547784 WPNCJPUUBPOFLJ-HNNXBMFYSA-N 425.507 1.525 30 10 IDEE CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1ccc(C#N)nc1 1130663470 IBQRKYCPPYXZCV-MRXNPFEDSA-N 426.454 1.553 30 10 IDEE N#Cc1ccc(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1 1130907154 CYUXRPJDMFMOLR-SFHVURJKSA-N 439.493 1.854 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)C1=O 1133515846 YEIMHZJCSYAMHA-UHFFFAOYSA-N 446.261 1.228 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1136466330 ODFNJEXKHVAYJH-UHFFFAOYSA-N 432.484 1.807 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)cc1 1168196041 SRVDZWMZLNSBCC-NRFANRHFSA-N 442.585 1.697 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1195463313 KKPQKDWVVYCALJ-QGZVFWFLSA-N 434.518 1.163 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1286296074 MHUPKOQUAFRMLW-SJLPKXTDSA-N 449.581 1.054 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1C 1286442644 IBXNWABDJQOLPZ-UHFFFAOYSA-N 431.504 1.701 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC 1286462573 NBTGCBSNPJROHJ-UHFFFAOYSA-N 438.488 1.934 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286509133 VTHDNIBPVBSORB-XGHQBKJUSA-N 433.578 1.540 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1286582141 RXVOCULGLCWGKD-GOSISDBHSA-N 431.562 1.924 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1COCCO1 1286767840 IFDFLBTVVHTQGA-HNNXBMFYSA-N 426.477 1.648 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1286791032 RVSRYMBZAGBHDS-RDJZCZTQSA-N 444.561 1.731 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccco2)C1 1286800404 KOJHVAUVNZTGDQ-KHYOSLBOSA-N 439.538 1.170 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)CCS2(=O)=O 1289584173 XXYSXZFOTKDUCE-LWLAFGSWSA-N 429.498 1.256 30 10 IDEE COCCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1293137703 PGEGSSBMFWSICJ-QGZVFWFLSA-N 428.551 1.299 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1298185902 CEWXJBKQIXEZSN-MRXNPFEDSA-N 427.486 1.993 30 10 IDEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1298714802 QFSDHJHXYQPMTE-JXFKEZNVSA-N 438.573 1.887 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1300340213 WQJUJIGZIWKZCQ-JKSUJKDBSA-N 432.550 1.987 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1300348944 UBALBSMQYHTSOX-GOSISDBHSA-N 433.520 1.687 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1300502303 RWHJCQKIHGZLGF-SFHVURJKSA-N 447.586 1.607 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1300569225 GXKLHUWBIKVDMX-XTQSDGFTSA-N 444.495 1.943 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCNC(C)=O)CC1 1300708550 UGNKETXPTGMISV-UHFFFAOYSA-N 430.940 1.792 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300863698 RUVAHFWIXDPCTN-QWHCGFSZSA-N 439.314 1.511 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300880808 KVOTYKUAOGCKHA-TZIWHRDSSA-N 439.564 1.532 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301257760 DUQGQBNFEOBOMJ-RBUKOAKNSA-N 433.553 1.592 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(=O)NC)C1 1301492009 USLDOGXPQNRIAG-KRWDZBQOSA-N 433.516 1.758 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1301500165 JRXUYWRLOFQRDH-ZACQAIPSSA-N 446.552 1.387 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cnn(C)c1 1301568879 YVNDNDHMARDAPC-KRWDZBQOSA-N 447.565 1.190 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1301917370 XNDVTKSMNMCKHX-UHFFFAOYSA-N 434.504 1.966 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOC[C@@H]2CCCO2)cc1 1302994349 LQJHRYVNEASDOO-IBGZPJMESA-N 440.504 1.251 30 10 IDEE C[C@@H](CC(=O)N[C@H]1C[C@@](CO)(c2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1303961529 KZJKCUMFBNQQGA-GIMINZRKSA-N 427.526 1.713 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1305119176 SJWRMBWVXFGNFD-INIZCTEOSA-N 435.532 1.790 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1305855922 JGBCHWRQBLDJEI-INIZCTEOSA-N 445.520 1.754 30 10 IDEE COC1(OC)CCOC[C@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1308046248 KBGGXPWLDRAWQF-OXJNMPFZSA-N 446.548 1.724 30 10 IDEE CCOCCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cccc(O)c1 1322448964 HZAJJQQMHGXMQO-UHFFFAOYSA-O 438.551 1.700 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1358909262 ZGVSZUKCEXDEKT-UHFFFAOYSA-N 438.532 1.688 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1358978953 YXWOQHWGMKUUNE-SFHVURJKSA-N 425.514 1.260 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1359028714 BRBQNNHBIORJJQ-GOSISDBHSA-N 441.580 1.802 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NC(C)C)CC1 1359029978 LTBDUGPWVOFLHX-KRWDZBQOSA-N 428.512 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2c(C)nn(C)c2C)CC1 1359043070 FZAPVNJGDZDIDG-UHFFFAOYSA-N 432.532 1.705 30 10 IDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1359059004 XRBPSYAIFRSZSJ-HXUWFJFHSA-N 427.574 1.885 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359059922 FIAUTMVVRPMCSG-HUUCEWRRSA-N 444.586 1.351 30 10 IDEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359200830 SGJXAJFUTXNGNZ-UHFFFAOYSA-N 439.499 1.776 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1359231135 OQINOKFDGAJKEQ-CXAGYDPISA-N 447.483 1.961 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1359257873 YWWDWFGHUMVYIJ-LJQANCHMSA-N 433.516 1.743 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1359272037 JMOUWJHQGWLLIA-QGZVFWFLSA-N 425.555 1.216 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359341944 LDWFXNSCVYRHQA-SFHVURJKSA-N 444.609 1.594 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1359633245 BPZOXOPJOVNBTM-UHFFFAOYSA-N 439.520 1.169 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1443821108 OTDICJLIBOBFBM-IAGOWNOFSA-N 430.977 1.545 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCc2nnnn2CC1 1451692322 LDYXSCZTSXHYEQ-APWZRJJASA-N 437.504 1.900 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 1456901260 RKLWVGCMJTZJAD-BPUTZDHNSA-N 436.534 1.645 30 10 IDEE COc1cc(OC)c(NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1Br 1466245982 FHANFOUUWBTLSR-UHFFFAOYSA-N 438.238 1.422 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nn1 1470063107 YHUDGSLBBNXXKS-KRWDZBQOSA-N 430.484 1.120 30 10 IDEE C=C(Cl)C[C@H](NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OCC 1471119372 WDLKLOQSAPKGRV-RYUDHWBXSA-N 438.333 1.982 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1472612861 KHNXHZRKMJGOTC-KBAYOESNSA-N 448.545 1.741 30 10 IDEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1493852655 ANCBWEHNZGTKNK-KRWDZBQOSA-N 446.577 1.694 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OCC)C(C)C 1507539871 XXAWKDHPDJHWRW-OKZBNKHCSA-N 441.598 1.520 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nnc(C)s2)CC1 1507721008 XVFKCAQXQBZNGU-FQEVSTJZSA-N 431.566 1.088 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)CC)CC1 1507733522 BKMGFMSFIOOBGI-QFIPXVFZSA-N 432.569 1.323 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1507843743 SMPNFRNEXKWZBC-QGZVFWFLSA-N 426.525 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](COC)C1 1508072800 KKYZJSONLPOPKI-OAHLLOKOSA-N 433.534 1.124 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1508090094 LVHFRNQTQKCEBB-UHFFFAOYSA-N 444.565 1.945 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1508809819 CILQBTBAQJVPKV-AOMKIAJQSA-N 426.521 1.565 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CCOC 1514377765 BLKABTQINIGDIG-VQIMIIECSA-N 441.536 1.679 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1515591731 DGUABRLREORNCT-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE COCCOCCCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519391848 DPZLRBSKBUNZME-INIZCTEOSA-N 442.520 1.760 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H]1OC 1519500926 JHKLJSIAFURLHF-KDURUIRLSA-N 428.493 1.105 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1539065846 LNUROBMQODHEGR-HNNXBMFYSA-N 440.470 1.928 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539258371 WJBBTEVCCAGPFN-OAQYLSRUSA-N 433.560 1.664 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1539578981 GTLUZXRQPGMUGC-QWHCGFSZSA-N 436.376 1.658 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CC(F)C1 1540868783 RMFCUIUFEIHFKZ-UHFFFAOYSA-N 449.556 1.725 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C 1540875933 CFPWHXJVWIBIAT-UHFFFAOYSA-N 441.536 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC#N)CC1 1540907514 YYUMURGVCVJZBX-UHFFFAOYSA-N 431.566 1.871 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1541131324 DDYXXMCQTMVGDZ-UHFFFAOYSA-N 444.561 1.556 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1541994955 GHHZBBLAINCJEN-OAQYLSRUSA-N 444.561 1.732 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H](C)N(C)C)n1 1543065557 JDDVRGCXZFXYCR-IBGZPJMESA-N 448.579 1.683 30 10 IDEE COCCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1555578580 YHWFTXQMWVBAED-UHFFFAOYSA-N 436.476 1.207 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1555664638 RTFOMOIUSXXYRX-KRWDZBQOSA-N 444.536 1.816 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CCN(C(N)=O)C1 1556521538 DAPBHWDYRPAXLP-CRAIPNDOSA-N 427.505 1.909 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1556797142 PYOXMWBZVKHDBE-FQEVSTJZSA-N 447.557 1.679 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CC(c4ccc(Cl)cc4Cl)=NO3)C[C@H]1CS(=O)(=O)C2 1558642923 HQPSDVZUSOPYFH-UDTVLSCZSA-N 428.297 1.883 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOc3ccccc3[C@@H]2CO)CC1 1560171010 OITGRXNDKQPZCE-MOPGFXCFSA-N 426.542 1.885 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)Cc1ccc(F)cc1C 1564978430 VMQNRSQLXXCIJF-IBGZPJMESA-N 438.507 1.837 30 10 IDEE CN(CCOCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(=O)OC(C)(C)C 1565095526 KOQYVRGMCBFKJB-UHFFFAOYSA-N 432.525 1.668 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ncc(OC)cn2)cc1 1584143921 WOIIEJIYCAPWHV-KRWDZBQOSA-N 433.490 1.695 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1584296434 HTYOTAYIZOYGGU-SIKLNZKXSA-N 436.487 1.550 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589567582 FQHBIYGEKYYTOH-UEXGIBASSA-N 446.596 1.585 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1594720534 OMCJPELJSRTXOS-VQTJNVASSA-N 445.612 1.427 30 10 IDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594824841 RGIJTVAOZYHRMA-GOSISDBHSA-N 444.561 1.733 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1594885958 SJQSQJRWFGQWSS-OAHLLOKOSA-N 430.328 1.208 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCS(=O)CC1 1595516903 LOSLWVJCPPOROX-UHFFFAOYSA-N 433.534 1.223 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595561971 JREOCXMENPFUHD-AEFFLSMTSA-N 430.578 1.390 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCC2)C1 1595665243 QTZMQWDWKBHUCF-MRXNPFEDSA-N 437.566 1.263 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1595885008 YMUZNXLOXCPXQY-AWEZNQCLSA-N 441.579 1.178 30 10 IDEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1596235684 ZZIQAVPJYIBIDZ-IBGZPJMESA-N 433.530 1.973 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597349800 ACEUDLHMVFFZMV-ZSVKVYQISA-N 444.536 1.389 30 10 IDEE CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611165030 KQHIOBJXMSLOKJ-FIKGOQFSSA-N 433.530 1.724 30 10 IDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CCOCC1 1616762962 MWBILTLOWMZTAY-UHFFFAOYSA-N 448.541 1.563 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1617238016 CYJHHLSJIHCJKN-NXDJFEHLSA-N 446.552 1.734 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)C[C@H]1O 1618883673 AFCUVCCHXZRKGH-VQIMIIECSA-N 436.447 1.759 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)c1 1619354075 CAWRBNBGKVDDEW-KRWDZBQOSA-N 433.534 1.896 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1619878095 AEVUKNQCYXEIHA-ROUUACIJSA-N 426.477 1.509 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCSCCCO)c1 1620348624 AFJKTHVLIYCNMN-GOSISDBHSA-N 426.546 1.743 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOCCCO)CCN1C1CC1 1620355077 GKYZUUAXJWIEJE-KRWDZBQOSA-N 446.502 1.723 30 10 IDEE CCS(=O)(=O)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1626285678 TYMUTFCEYMDAPW-LQFHHUIYSA-N 444.579 1.546 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N(CC#N)C3CCCC3)CS(=O)(=O)[C@@H]2C1 1629510491 PGWPOLKKSWRLRV-DJIMGWMZSA-N 425.551 1.951 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1632218777 JXRPFZUEPGXLFS-IBGZPJMESA-N 429.498 1.226 30 10 IDEE COC(=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(OC)c1 1632958205 STCYVZNCQZJCTI-SFHVURJKSA-N 431.470 1.154 30 10 IDEE C=CCC1(O)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1634491951 IPWROCJREPGGSM-CQSZACIVSA-N 443.363 1.999 30 10 IDEE Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)no1 1639049889 MXTAYXPORXPNFR-CYBMUJFWSA-N 446.485 1.947 30 10 IDEE C=CCOC[C@@H](NC(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC 1639559038 SKVUCGVMBXDBRS-FOIQADDNSA-N 425.482 1.393 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)C(=O)C1 1643499791 WVDNOEKJJYEMKL-QFIPXVFZSA-N 427.505 1.545 30 10 IDEE COC1(c2nccn2C)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1660011841 FFMZXZKASVIYDF-SFHVURJKSA-N 442.589 1.828 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2)C(=O)OCC 1664948125 YTZMLUGLUJSLAS-GOEBONIOSA-N 431.894 1.906 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)CC1 1669090784 WOABBSMRMGSCDR-UHFFFAOYSA-N 443.529 1.320 30 10 IDEE C#CCN(C(=O)NCCN(Cc1ccccc1)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1685105708 LFZWWSITCDNXMY-HXUWFJFHSA-N 426.542 1.920 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OCC 1689965992 IHSAEUVEJINAHP-IBGZPJMESA-N 447.561 1.322 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCC1 1690013359 LIQMMJKPSWZLAF-UHFFFAOYSA-N 439.589 1.797 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1690094005 PVJYXLZHNWHNTE-DLBZAZTESA-N 447.561 1.541 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690155652 MFGZZGMFBAZMOT-INIZCTEOSA-N 447.565 1.832 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1690527971 VPHDCBGPRXNJRS-MRXNPFEDSA-N 433.534 1.241 30 10 IDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1690548548 FMNNZPVHIVCQBW-MRXNPFEDSA-N 442.486 1.818 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nccs2)C1 1690672726 AYQFSEQXJJPSRG-MRXNPFEDSA-N 425.518 1.601 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCNS(C)(=O)=O 1692213141 CBCNGAGTWVBKCB-UHFFFAOYSA-N 449.556 1.363 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1692586018 YPIFBCPXJVOXHU-HTAPYJJXSA-N 430.553 1.973 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1C 1693136433 BFBRIHMOXNSJSJ-LJQANCHMSA-N 436.513 1.465 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1694738267 KZQBYHFDVRCFTB-FQEVSTJZSA-N 438.580 1.791 30 10 IDEE Cn1cc(-c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CCCS(C)(=O)=O)cn1 1696853749 DDMRMEBIUTZFHS-MJGOQNOKSA-N 439.545 1.857 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705568800 VKOGVRUOHHFCET-SFHVURJKSA-N 432.546 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1705588499 GPMISOBFWZAWSD-OAHLLOKOSA-N 433.509 1.547 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CSCCS2)CC1 1705647913 LESWQNWJSVKBMY-DLBZAZTESA-N 435.619 1.596 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705663591 MXRDUOBRMMRDHJ-UHFFFAOYSA-N 427.578 1.964 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705816322 BJWXHRIMJDZGMA-OAHLLOKOSA-N 431.566 1.871 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705907816 YJVOWRGKVSHXFM-WZONZLPQSA-N 441.532 1.586 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)[C@H](C)C1=O 1706507605 URHGDBNPZITGHY-VQIMIIECSA-N 435.532 1.788 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1706748243 HFEOBAYRNKFUCK-PBHICJAKSA-N 430.534 1.614 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1711430671 ABKIVAPHPGAXDI-WMZOPIPTSA-N 443.529 1.641 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722368508 RLBIFSGBHZLDSD-KRWDZBQOSA-N 440.529 1.928 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1722432042 VOOCDHMAVJVINU-UZUQRXQVSA-N 440.523 1.791 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722615101 HMGXIMITOXRCSB-GOSISDBHSA-N 429.569 1.330 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1722688760 LFAFKZGDDWVADF-INIZCTEOSA-N 433.516 1.771 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CC(N)=O)CC1 1722698251 CNWHWFGHFSOPMG-GOSISDBHSA-N 440.504 1.185 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722706593 UNOUQTWMVSOYMF-KSFYIVLOSA-N 445.495 1.683 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1722739987 ZNIUPWPGLMTZGY-HOTGVXAUSA-N 429.612 1.767 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CCO1 1722843734 PVYARUQFBKQDDD-IBGZPJMESA-N 444.561 1.274 30 10 IDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)Oc1ccc(F)cc1 1723809691 HJSCTFSPHCAKQL-CRAIPNDOSA-N 428.468 1.849 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1729640781 YCBHHSUBEWRMHT-QHCPKHFHSA-N 437.548 1.941 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1729706413 AEAKUHPGFHZNAW-HDICACEKSA-N 439.564 1.888 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1729749916 KYNRBLJAMADNCV-LJQANCHMSA-N 426.521 1.784 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1730629399 FOACGBXQOACMAJ-GHTZIAJQSA-N 447.561 1.618 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C 1730784525 BPKQZXKCOYXDTB-UZUQRXQVSA-N 437.548 1.452 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)c1 1730995656 POXWMMWPDCPNEK-CQSZACIVSA-N 441.460 1.359 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1740568112 ZBIQWHQKPTZQKK-INIZCTEOSA-N 449.556 1.553 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc(S(C)(=O)=O)cc1 1740616203 VXWUAEIHRGLCQQ-LPHOPBHVSA-N 448.545 1.554 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1740619369 IEDYLGYCTPTCJS-MJGOQNOKSA-N 448.545 1.242 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1740622313 BOMUVGATKFOVRV-MRXNPFEDSA-N 430.578 1.689 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1740628364 XHJJWPJSFXJZMI-MSOLQXFVSA-N 436.578 1.647 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CC1 1740636776 CNJKUKBIXKIICZ-SSEXGKCCSA-N 444.586 1.222 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(CS(C)(=O)=O)CC1 1740650798 NWPZTIBKIMABLU-UHFFFAOYSA-N 440.525 1.962 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740713057 CUJRGBHGLSLWFI-UHFFFAOYSA-N 447.996 1.570 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1740757719 RESKZLOXMDQZHU-HBFSDRIKSA-N 430.553 1.563 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740885176 AGOVYAYRFGYTLO-GOSISDBHSA-N 445.593 1.909 30 10 IDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1743354681 DUTQBVRHOIMBNT-RDJZCZTQSA-N 430.534 1.323 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC(=O)NC1CC1 1747193801 MEHSZCRQZILRQB-UHFFFAOYSA-N 438.536 1.467 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1747357821 UXEHPNDBSBJFEM-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748811032 AIDBPFCLQYYVHO-QZTJIDSGSA-N 443.577 1.094 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1748825036 VSGZWSRBTXSXEG-QZTJIDSGSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccncc2)CC1 1748840679 GHJSFYVBLBXABD-UHFFFAOYSA-N 443.559 1.359 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1748875110 JYAQFCHKWUMEPS-KRWDZBQOSA-N 436.482 1.861 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1749038475 KIKDIQISMHMEQF-GJZGRUSLSA-N 435.579 1.017 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1749663517 IPQLUNXROMBOMB-UHFFFAOYSA-N 436.520 1.673 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCC)CC1 1749668851 FSPBVLLLVCGQOK-IRXDYDNUSA-N 439.582 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749729545 NCHJXJWSOWIOFV-CSODHUTKSA-N 449.577 1.657 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749732094 PIUHUQLXQRGBGK-ULQDDVLXSA-N 437.566 1.368 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)OC)CC1 1749736262 HJJQYEBNJMTYHG-UHFFFAOYSA-N 438.575 1.921 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749771897 BNWOWWPARHYIBJ-XLIONFOSSA-N 428.537 1.635 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1751021141 DYNRUUBLAPKABG-VXKWHMMOSA-N 430.553 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760095453 PFRHXJPLYZCWAH-RXVVDRJESA-N 436.560 1.587 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760182338 IQEOBZVHDAUAFR-HNNXBMFYSA-N 436.607 1.995 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760238896 OJRQVEUXMQVEKX-RCCFBDPRSA-N 437.610 1.938 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CCN(C)C)CC2)CC1 1760258143 QBDULXYRIPFWPC-UHFFFAOYSA-N 436.608 1.369 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760425827 WFVXCEIWSZUZAG-IAGOWNOFSA-N 438.598 1.693 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1)C1CC1 1760477080 OUKRDYIAXFHZKX-KSZLIROESA-N 437.610 1.834 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760565125 OJWUUUFQKUCQFX-KRWDZBQOSA-N 448.593 1.224 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1761208017 HWVDMVLCBDZFRH-ZSDSOXJFSA-N 428.493 1.702 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1761269903 FMCUXADEZSAWOM-QAPCUYQASA-N 432.550 1.352 30 10 IDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCN1CCCS1(=O)=O 1762582190 LREDQHXIASZWMX-HXUWFJFHSA-N 428.562 1.953 30 10 IDEE CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1764808693 FZYMOMZTQLFZQI-MRXNPFEDSA-N 426.502 1.790 30 10 IDEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1765843630 BGGQMZFBDQVQIA-GOSISDBHSA-N 448.535 1.521 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C#N 1766719484 WAVLRZBHGSQFKF-CRAIPNDOSA-N 448.549 1.716 30 10 IDEE CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1768306026 XMIPNSTVLJXGJT-TXPKVOOTSA-N 440.570 1.071 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)ON3C(=O)c4ccccc4C3=O)CC2)cc1 1772791338 RQXDWOGMUCXTJV-UHFFFAOYSA-N 443.481 1.056 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cnc2c1C#N 1851349003 QSTUADRMMLLBNG-FQEVSTJZSA-N 446.467 1.342 30 10 IDEE COc1ccc(OCC(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)c(OC)n1 1852785792 XKXWEWOPKSKXCD-UHFFFAOYSA-N 425.385 1.738 30 10 IDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)ccn1 1854914606 JREHZCLBMMHPPA-SFHVURJKSA-N 430.530 1.375 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1 1856397891 NRPWPGCYVLZFBD-WBVHZDCISA-N 436.509 1.342 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 1891002578 OFUUDAZPNOSOHD-UHFFFAOYSA-N 428.533 1.786 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C1 1891275177 ICNCGIDXAQAPKA-HNNXBMFYSA-N 437.525 1.963 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@](O)(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1950636473 RLCPDYWRDVQOFK-OFNKIYASSA-N 430.549 1.695 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCOC1 2124542740 IWSWLRIDQGMJJA-DZGCQCFKSA-N 448.329 1.644 30 10 IDEE Cc1cnc(NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232305814 HWYARCHVSKMLDY-IXDOHACOSA-N 449.357 1.442 30 10 IDEE CC(C)(C)OC(=O)NOCC(=O)N=c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)[nH]1 2243675773 AKPSVTFPNKPQBO-UHFFFAOYSA-N 427.694 1.851 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248443881 SELHUAQBESMUOT-LBPRGKRZSA-N 441.359 1.192 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255709561 XWOKXLZWKFLNHP-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2267013535 LVNBHIULUWYTSJ-MKZZRHPPSA-N 446.357 1.562 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267143857 NVEBDFNEZDSZGU-SFHVURJKSA-N 439.369 1.255 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)n1 2267199156 IGYQMXVNZINXHI-UHFFFAOYSA-N 447.345 1.338 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267260420 NPQCJACHSCHIAB-UHFFFAOYSA-N 444.341 1.715 30 10 IDEE N#CCOc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2286041994 PTSMBRADNHZDBW-KRWDZBQOSA-N 433.442 1.710 30 10 IDEE Cc1nc(C)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)s1 2296936274 JXTAHMSULWLICO-KRWDZBQOSA-N 428.514 1.909 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2303958371 HICDCJXSWOXXCU-AWEZNQCLSA-N 426.319 1.071 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@H](CCO)COCc3ccccc3)nc2)OC1(C)C 2320419668 PXZNQUYRMRIQTM-GOSISDBHSA-N 427.310 1.473 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1[N+](=O)[O-] 2330707502 LRZOIRBMFLKJFV-UHFFFAOYSA-N 433.494 1.665 30 10 IDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cn1 20827609 FQCTVWNASPGIRK-FBCYGCLPSA-N 444.481 1.854 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 102750315 HEXGIFODQMCZAE-HQMFNGAOSA-N 425.489 1.186 30 10 IDEE N=C(N)NN=Cc1cc(I)c(O)c(I)c1 254870787 CWBIAMJDVMDYQH-UHFFFAOYSA-N 429.987 1.418 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 437935021 QXOZXMWBZAUELH-ZVDOUQERSA-N 444.580 1.532 30 10 IDEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 464810857 GPDPPEVRCNWMMV-QUCCMNQESA-N 443.548 1.947 30 10 IDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)[C@@]3(C#N)CCOC3)cc2)C1 471945240 VXDITWHDYHXGFR-GPMSIDNRSA-N 441.575 1.656 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CN3CCCc4ccccc43)n2CC=C)CC1 508934023 HXDHFVRIFPHNCF-UHFFFAOYSA-N 435.576 1.841 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1-c1ccccc1C#N 532265943 GACYOWAODJIDHC-UHFFFAOYSA-N 438.871 1.812 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC(C)C 541800713 IXTCLHFRMRMRGV-UHFFFAOYSA-N 428.514 1.812 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccccc1 554511499 HJHBZPYDVBAUAN-UHFFFAOYSA-N 437.546 1.630 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccs2)CC1 559159164 IMXVJVYRIGITCK-UHFFFAOYSA-N 437.573 1.798 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 562210969 BZWNQGDGAASUNZ-UHFFFAOYSA-N 449.920 1.239 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(Br)cnn2C)c1=O 567334181 JFMCEQQMBRYUAN-UHFFFAOYSA-N 433.331 1.464 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cc(Cl)ccc2N2CCOCC2)c1 578057282 UPCCCENFJGVOOP-UHFFFAOYSA-N 448.932 1.643 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 609565210 FTMROGMXEGNMKH-OAHLLOKOSA-N 429.502 1.441 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCOC 726574185 BLIRNIVGOKYIOK-HNNXBMFYSA-N 437.525 1.255 30 10 IDEE C#CCN(C(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)[C@H]1CCS(=O)(=O)C1 729333833 ADXDWWFKUCEGBI-AWEZNQCLSA-N 434.543 1.092 30 10 IDEE C#CCN(C(=O)[C@H](C)NC(=O)c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 729335505 QEDCJNMLIROQJX-WDEREUQCSA-N 433.349 1.278 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OC(F)(F)O4)c2=O)cn1 735069628 WYHPQBHQBHPSFO-UHFFFAOYSA-N 441.419 1.854 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742553191 AAMVYECPWQJXEC-OTRWWLKZSA-N 433.530 1.836 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 758054298 KWNKQJLPPJXRAF-UHFFFAOYSA-N 437.477 1.722 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(OCC)c2)C1 760323118 NHBFKNCAEDJFHO-RDJZCZTQSA-N 447.561 1.957 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)CC2)n1 760792937 NCAGFHNVXYQWDD-CQSZACIVSA-N 438.419 1.702 30 10 IDEE CCNC(=O)C1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 764075334 KSCGOQIXUPZGGZ-PTGBLXJZSA-N 435.550 1.879 30 10 IDEE N#Cc1ccc(C2(C(=O)NS(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)CC2)cc1 781534451 JKJMBAQRLFRFLT-UHFFFAOYSA-N 433.873 1.612 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)C1 787312852 AUWDNCUPMQEXRY-HXUFYLTCSA-N 428.533 1.554 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@H](C(=O)OC)C1 802566616 XXWCSSVJZCNMAB-QGZVFWFLSA-N 429.477 1.659 30 10 IDEE N#CCn1cc(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cn1 811887196 OEVLBNCUCCJIDV-YRYYUTHUSA-N 427.464 1.825 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCCO2)n1 812442242 WBEPBZUAPVLPKG-VQTJNVASSA-N 444.536 1.418 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc4c(c3)sc(=O)n4C)nc2)CC1 814745715 FHYUSALJSYDJHD-UHFFFAOYSA-N 446.558 1.377 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 915611915 PZEYWBRZSQQUMB-CQSZACIVSA-N 435.527 1.461 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3CC2)c1 919895105 VWDAYCGTBKWQMV-UHFFFAOYSA-N 428.510 1.856 30 10 IDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCSCc1ccccc1C#N 1135827835 ILWHVKBZOBNMMD-DYVFJYSZSA-N 439.584 1.697 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C)c1cc[nH]n1 1138308326 IQCDNHCHGQHJLJ-UHFFFAOYSA-N 427.461 1.780 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 1140132767 NZXKPECGUWEWON-KRWDZBQOSA-N 428.533 1.780 30 10 IDEE CC(=O)N1CCN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1141663202 VJBTXQYHLJAUNM-UHFFFAOYSA-N 434.338 1.037 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N(CCC#N)CCN2CCOCC2)C1 1142585685 CGEYPPXFOGBDOZ-OAQYLSRUSA-N 440.516 1.036 30 10 IDEE C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157884566 IWSBBBNMHFAWCY-WZFJYNIESA-N 427.523 1.144 30 10 IDEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1158230322 OYJTXPAQUSNZQN-YOEHRIQHSA-N 431.518 1.275 30 10 IDEE CC(C)(C)OC(=O)C1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCOCC1 1163007560 QZTVANWEYBECGL-UHFFFAOYSA-N 436.530 1.728 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)[C@H]1c1ccnn1C 1163658297 KDCWSETVTQQVFF-BWAGFHJFSA-N 436.516 1.317 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1165499130 XGGGFMBPJJRZSX-NRSPTQNISA-N 425.460 1.394 30 10 IDEE COC(=O)C1CC2(C1)CN([C@H](C(N)=O)c1ccc(C#N)cc1)C[C@@H]2C(=O)OC(C)(C)C 1176052258 NCBDWQVEZZSNSO-VQFNIZELSA-N 427.501 1.928 30 10 IDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C[C@H](O)CC1(C#N)CCOCC1 1194132131 FKOJQGFWBMITCP-IAGOWNOFSA-N 425.526 1.542 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)CC 1286284530 DTYQZTBAIWYDQX-INIZCTEOSA-N 427.534 1.528 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1286430345 MFQOTSNSZNPGCY-HXUWFJFHSA-N 441.557 1.873 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCS(C)(=O)=O)CC1 1286493753 INBXHLMBHLOIFD-UHFFFAOYSA-N 435.594 1.411 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286706351 NHEVQKIDMAZYAN-IKGGRYGDSA-N 426.587 1.154 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286789324 CZPVTNLYIONDEJ-ROUUACIJSA-N 441.488 1.890 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286793694 JTKAVKIUAUUCDJ-QFIPXVFZSA-N 434.585 1.399 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(c2ccccc2)CCOCC1 1288167044 ALZJNQWIIXZCSL-LJQANCHMSA-N 438.532 1.893 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1296661675 NBBWSHVBMAVKBW-MRXNPFEDSA-N 443.504 1.651 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)S(=O)(=O)CC 1300291826 UWWUVRFSPKHWDW-OAHLLOKOSA-N 433.534 1.803 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1300311665 VFLLTZJCUBXLPB-IAGOWNOFSA-N 437.541 1.707 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300495965 LVNXWJCROQCIRR-QRVBRYPASA-N 436.578 1.758 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1300556570 JDILSGNQBILIGG-HNNXBMFYSA-N 434.591 1.979 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H]1C 1300665306 ZAOHAUAXQDQWGT-GOSISDBHSA-N 449.559 1.762 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301516551 LTARTRDPCXYTRF-VERZRFAGSA-N 444.536 1.909 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1301520280 WARKPWCLAWFVJZ-HSQYWUDLSA-N 449.552 1.007 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1301634368 XBTUOOZPGOZZAK-UHFFFAOYSA-N 440.525 1.824 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCn2cc(C)nc21 1301799270 BMRDWTNJMNDIFQ-QGZVFWFLSA-N 428.541 1.865 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCC2)C1 1302978278 AVNFDTYWQSIRBC-OAQYLSRUSA-N 440.483 1.770 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1305516227 XYZMFLAGIQCGKU-KRWDZBQOSA-N 441.536 1.285 30 10 IDEE COC(=O)[C@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)CCOC1 1307945865 RLEBDRRKFZNBNL-YKSBVNFPSA-N 442.560 1.888 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)c(C#N)cn1CCOC 1310522791 AINHIKRNWAIHEW-OAHLLOKOSA-N 434.497 1.450 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)C1 1313293306 YRWZZXVGIJDBCN-GBESFXJTSA-N 430.553 1.520 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1314529295 AZACOMFWEAEMDB-SJORKVTESA-N 444.517 1.186 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1314671209 OTOGNZXGVPLBJQ-UHFFFAOYSA-N 449.563 1.903 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)n(C)c1=O 1315631012 HKFHTLVYYVIQHC-IBGZPJMESA-N 434.500 1.662 30 10 IDEE COCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316262964 DXLAYHCTEZSBGY-LJQANCHMSA-N 426.521 1.793 30 10 IDEE C#CCCCCn1c(C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1358906032 SYOVPWMKRHQQCR-IKGGRYGDSA-N 437.566 1.517 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1O[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358956740 JZWHYWURWLJPAE-VQTJNVASSA-N 444.557 1.738 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1358963534 JTWAOINUKFODSX-FQEVSTJZSA-N 429.590 1.967 30 10 IDEE C#CCN(c1nnc(COCC)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358967187 FVBLPXQAGQCULW-GFCCVEGCSA-N 426.486 1.694 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccn(CC)c1=O 1359026054 ITQDAOUSROUWIS-UHFFFAOYSA-N 445.527 1.833 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC 1359099464 OCQHTTDUWLTPMB-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)C1 1359312327 RXYUSODKTFSDSZ-MJGOQNOKSA-N 442.568 1.600 30 10 IDEE CC(C)(C)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359516179 SJBJPRFGUZDBRN-NXDJFEHLSA-N 427.553 1.777 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1359623669 BMYXYKKFJCAUTM-FQEVSTJZSA-N 438.532 1.973 30 10 IDEE C#CCN(CC#N)C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1448188814 XUKOKCGTMJQDEF-OAQYLSRUSA-N 430.464 1.754 30 10 IDEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)Cn1cc(C#N)c(O)nc1=O 1448846902 MIPXFUUDMBFUOM-UHFFFAOYSA-N 441.488 1.764 30 10 IDEE C#CCN(C(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1456088160 UYIWUDAZRUODJJ-GJZGRUSLSA-N 436.534 1.285 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc2n1CCOC2 1456925936 SGCVMIUKUFOKBD-MRXNPFEDSA-N 431.518 1.183 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 1457929601 XFJXRVLWVMCVNY-RBUKOAKNSA-N 445.545 1.491 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1464719349 MPBDAKYBJCGOQQ-MRXNPFEDSA-N 432.525 1.926 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)CC2)C1 1472150345 GVFBESHRWAVDAX-UHFFFAOYSA-N 434.514 1.310 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1478747803 AQJWBMDXSPWYPO-AVYPCKFXSA-N 438.550 1.356 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)Nc2ccccc2)CCOC1 1502728103 GFHKBKYSXHCHNA-AVRDEDQJSA-N 440.504 1.688 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(C)nc1 1503108482 IDEWCCJBFCXBNG-QGZVFWFLSA-N 433.520 1.943 30 10 IDEE Cn1ncc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)n1 1503691154 DHRGDMHFFBCGSA-INIZCTEOSA-N 432.554 1.072 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507533125 IIXYIKBGVWFUDU-YOEHRIQHSA-N 431.518 1.170 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507578886 FGIDSELCJLYOFY-SFHVURJKSA-N 440.552 1.656 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1507622539 IUSVUSJQNHGCBK-INIZCTEOSA-N 447.586 1.559 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1507651950 FRBAPYFFBBBGKK-KRWDZBQOSA-N 432.484 1.163 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507710853 WGVXVCZZMIVKRP-OAQYLSRUSA-N 447.543 1.436 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507736778 SZRQWOZYEYCMRR-QZTJIDSGSA-N 444.580 1.252 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1507799214 IRNBFGKRADFEIK-PKOBYXMFSA-N 448.593 1.737 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)C(=O)C1 1507800785 PGEMHTIRZUJSMN-QFBILLFUSA-N 427.509 1.011 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507836207 AUSYJVAPOAQEHP-QFIPXVFZSA-N 432.569 1.295 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1508040104 SQXOHRWSHJHYTF-XMSQKQJNSA-N 446.573 1.653 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1508041348 MVRXGRSJCQQSST-SFHVURJKSA-N 441.536 1.148 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)C)C1 1508123316 HOCSJCYYGSNINO-IRXDYDNUSA-N 427.571 1.438 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1510379280 OLIBZGPCTDMCSU-SFHVURJKSA-N 435.488 1.714 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1)C1CC1 1519522263 XJEXNFNHMFWBCM-RBUKOAKNSA-N 445.545 1.370 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(C#N)c(Cl)n2)C1 1534588529 KRNHECCLONSIDG-ZDUSSCGKSA-N 442.925 1.761 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539225315 MUWGHINRDHZAJX-PXNSSMCTSA-N 442.589 1.373 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1539232453 CTCKJDAFUHEDAL-UHFFFAOYSA-N 443.515 1.559 30 10 IDEE Cc1cc(N2CC[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)n(C)n1 1539746655 DEUSCOLCUZABOP-HZPDHXFCSA-N 432.525 1.927 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1539803763 NATMLHONOZWWDT-OLZOCXBDSA-N 439.916 1.845 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN(C)CC(F)(F)F)CC1 1539829091 TWPWENUVLXSDMT-CQSZACIVSA-N 438.520 1.929 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1540128347 LFRGJRDTTZSFNF-GOSISDBHSA-N 442.545 1.381 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2nccnc2C)CC1 1540867764 GZTKDNHRKZYDDZ-UHFFFAOYSA-N 432.532 1.981 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@H]1CC 1540881622 OCAHQFSOUMIXEM-GOSISDBHSA-N 438.532 1.728 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2nc(C)cc2C)C1 1540892022 CYVBXOWXFWIKBL-RBUKOAKNSA-N 448.593 1.865 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1541733841 WQWUVPAGBGVHKA-RVKKMQEKSA-N 427.452 1.472 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cnnn2)cc1C 1542469247 WZYJYWCNSDCLDD-HXUWFJFHSA-N 425.472 1.993 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(O)cc3O2)cc1 1544463322 VTFUXVWDHFOOSN-HBNHWDEFSA-N 431.470 1.984 30 10 IDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCNS(=O)(=O)CC 1546538900 NRROIQOYHDTZKB-UHFFFAOYSA-N 445.593 1.364 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555147190 CWJYFGIKGQHAHQ-HYHOCUEZSA-N 447.499 1.958 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCOC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1555671744 CFRANBZLIWTIPW-INIZCTEOSA-N 431.493 1.901 30 10 IDEE CC(=O)N1CCN(c2ccccc2CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1563865242 VZLJEXCONCJTRK-UHFFFAOYSA-N 426.517 1.902 30 10 IDEE O=C(CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCOCC1 1564464355 LVQFIRFMJAODOP-DTORHVGOSA-N 439.303 1.658 30 10 IDEE C#CC[C@H]1CCCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1565335048 OARJYVSSXGYQIH-IRXDYDNUSA-N 427.567 1.856 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1587561342 CYTCHGGIRWQEFC-CABCVRRESA-N 432.550 1.144 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1588034106 BDBMDXRUBUQXJI-IKVWTGGYSA-N 436.578 1.918 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1588059461 OOMSKNARBHNDQL-PKOBYXMFSA-N 433.622 1.978 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1595178800 OZHHPWVOKJAQQV-HNNXBMFYSA-N 440.570 1.545 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595569999 UGGKNHKNVWZPGA-SFHVURJKSA-N 438.532 1.185 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1595714248 MNRSNSWHNDQGTN-QUCCMNQESA-N 428.585 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(C)C)C1 1595821708 CLRMYMQLEMKPLD-GOSISDBHSA-N 436.582 1.602 30 10 IDEE N#Cc1cn(C2CN(C(=O)C(F)(F)c3cccc(Br)c3)C2)c(=O)nc1O 1607497571 IISITBZUNJXGHP-UHFFFAOYSA-N 425.189 1.758 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1613588484 KNZHCICGSGDFBZ-GCJKJVERSA-N 445.568 1.179 30 10 IDEE CC/C=C\Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1614291014 QCVYAJAOBFPVND-VGOKWCNXSA-N 435.536 1.743 30 10 IDEE COc1cccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1619374003 AHXDIPYHLHFLSE-OLMNPRSZSA-N 426.477 1.434 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCC(=O)NC2CCCCC2)c1 1620349228 HYZMEAGSHAGDCB-UHFFFAOYSA-N 435.532 1.982 30 10 IDEE Cc1nc(C)c(-c2ccnc(N(C)C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n2)s1 1623972113 XFODIUDBNDGJEM-UHFFFAOYSA-N 442.526 1.918 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(c2nncn2C)CC1 1628120615 AEDGUGPWULIGBU-UHFFFAOYSA-N 449.309 1.576 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 1634600893 DFPRTADSMICHQD-FDDCHVKYSA-N 446.548 1.765 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCN(O)C1=O 1636352936 OVHJLZDPIRSIAA-GBLZOACLSA-N 439.468 1.381 30 10 IDEE CCOC(=O)N1C[C@@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)[C@H](CO)C1 1636586018 FTSLWHSWUJPZHO-AZUAARDMSA-N 429.521 1.271 30 10 IDEE N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CC2)c1 1637969362 HGHGVKCYCOVTFW-NRFANRHFSA-N 441.576 1.908 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 1639973689 IQCKQIMQSXTXAT-GOSISDBHSA-N 427.501 1.914 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1642454154 FPFAIMYXTPACMR-SJORKVTESA-N 444.598 1.364 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1646082120 OXFYWKAVICPNMH-UHFFFAOYSA-N 440.525 1.835 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CCN1CCOCC1)[C@H]1CCSC1 1646468473 FNEKBPAGROYUPN-FQEVSTJZSA-N 440.573 1.822 30 10 IDEE CCOC(=O)C1(C(F)(F)F)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1654956933 YLGZMUICNBFOQM-INIZCTEOSA-N 432.487 1.886 30 10 IDEE N#CCCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1665597841 CNEOBLNVMCURDD-UHFFFAOYSA-N 426.564 1.081 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 1670187149 HPQZERIRLKDHHJ-MRXNPFEDSA-N 433.530 1.902 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC1(CCOC)CCN(C(=O)OC(C)(C)C)CC1 1670882247 IDGJEXWKRYPKLD-UHFFFAOYSA-N 433.571 1.693 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1 1685844518 WCAMNTBIQFUERF-UHFFFAOYSA-N 433.452 1.660 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCNS(C)(=O)=O)c1 1689868549 JWGPGAQWUVRJOO-HNNXBMFYSA-N 432.550 1.397 30 10 IDEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1689901030 ZHSZEIIINOCKFX-UHFFFAOYSA-N 442.589 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(Cl)cc2)CC1 1690124691 REGZPNUOQNEALM-GOSISDBHSA-N 447.992 1.832 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690167081 BCNJJAUBDKYHHR-UHFFFAOYSA-N 441.605 1.394 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1690218273 ASALZRZVVSCULZ-AWEZNQCLSA-N 439.358 1.916 30 10 IDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1690483804 XGCDGZMICWFASI-KRWDZBQOSA-N 425.537 1.959 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CCOC 1690516584 NETLPBRXUGEDBF-FQEVSTJZSA-N 436.582 1.956 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1 1690673582 YCQBLLHGSVOACY-UHFFFAOYSA-N 437.470 1.641 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)C1 1690686738 SSSAGUAQQJFKRZ-MRXNPFEDSA-N 443.639 1.736 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1690838379 HQDRHESTXSOHFW-UHFFFAOYSA-N 442.545 1.310 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690970490 GOZSBYWMWJHKRB-QHCPKHFHSA-N 437.548 1.644 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C1CC1 1694347123 DSMOFVSSWZTGGD-UHFFFAOYSA-N 425.541 1.772 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1695598433 ZLHBEILNYCSZNX-UHFFFAOYSA-N 448.531 1.843 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@@H](C)[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1696061853 YIKUNYORUDNJDD-BMHCUQPVSA-N 444.536 1.549 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1696904684 JJMFLWYEQDKVRR-INIZCTEOSA-N 437.548 1.941 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705508332 SQDMFBDAHQDLCB-UHFFFAOYSA-N 443.596 1.308 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705538026 AYFNFMNCIWUJPB-UHFFFAOYSA-N 447.609 1.803 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C(N)=O)CCOCC1 1705576477 LOIGTWZLNBRSBM-UHFFFAOYSA-N 441.919 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705598691 OYUBVOOIVYTMMD-AQNXPRMDSA-N 445.589 1.449 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)C 1705601201 BBJBYYCXLSXDDO-UHFFFAOYSA-N 426.546 1.505 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2cnnn2C)CC1 1705632857 CWCRHQANDKPQEM-IBGZPJMESA-N 434.548 1.967 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1705717630 ODJDEPZGWDNYBN-APWZRJJASA-N 429.587 1.420 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705792523 VFXCXWJZMCLYHT-SJORKVTESA-N 435.594 1.984 30 10 IDEE CC(C)(C)OC(=O)NC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)COC1 1706162273 VSFBRSVJRKPTFQ-HZPDHXFCSA-N 448.524 1.195 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CSCCS2)CCOC1 1706678135 CLZKCSKWIQYCDA-GPMSIDNRSA-N 439.607 1.896 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)CCOC 1708522816 HGPLUKRUTIYPDA-AOMKIAJQSA-N 444.584 1.819 30 10 IDEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1711044774 JMFDZWSTNVXAOE-QZQOTICOSA-N 441.536 1.696 30 10 IDEE CN(CCC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1711187068 CRDDBSHNNLBUJE-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1711479568 VXWKIVUPOCUVGO-UHFFFAOYSA-N 441.492 1.143 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCOC[C@H]1OC 1722342641 UDKDHMNHNXDIMX-FUHWJXTLSA-N 431.924 1.982 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC 1722378115 ASMHAHOUJOKCBG-LJAQVGFWSA-N 432.575 1.080 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1722463587 GVJPEJLYFLGJBG-OAQYLSRUSA-N 435.594 1.601 30 10 IDEE C=C(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722525558 CQDZRVSISUHIDP-IIBYNOLFSA-N 432.525 1.368 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722536527 XJTKSQBZGCUKRP-MRXNPFEDSA-N 431.497 1.263 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1722680407 KPPYRIKXIWMJDT-IYBDPMFKSA-N 446.556 1.864 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1723778613 HHEHVLYWLQLATH-NVXWUHKLSA-N 436.582 1.930 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(O)CC1 1723958877 BMAYIEVLWOGZGM-UAGQMJEPSA-N 430.534 1.157 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1728260788 DAOYHSPKFBZMCX-UHFFFAOYSA-N 433.520 1.355 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1730496501 AMUGEISAVZJTSO-MRXNPFEDSA-N 444.467 1.792 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(CO)c1 1730869368 NKNQIWOHFCHLBB-UWJYYQICSA-N 440.548 1.719 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1731184032 YTIWVUFCKIKSNN-HNAYVOBHSA-N 433.513 1.519 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740626044 VBUDVUAYMDLOCW-RKOGDMNLSA-N 426.608 1.405 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740627077 XOXXFUXYPYNIOW-SFHVURJKSA-N 447.536 1.159 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1740757772 RMBTVIPOCFNABD-PXNSSMCTSA-N 426.521 1.792 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CCC)CC1 1740825803 UQQBDPACVJMNKX-QFBILLFUSA-N 427.571 1.319 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1740868779 SKQKWKIIFQCQOG-DLBZAZTESA-N 448.597 1.750 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC1CCCCCC1 1740900669 WBSNBHHEJMOHKI-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nccs2)CC1 1740957646 VSKSULJLHMRYKL-UHFFFAOYSA-N 427.538 1.154 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCOCC1 1744404143 FJNDXUKUQGFJPP-SFHVURJKSA-N 427.505 1.690 30 10 IDEE CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1747547517 DLBKBHUELSHILG-OALUTQOASA-N 446.515 1.957 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1N1CCOCC1 1748765928 AAJPFBZQLZEVTO-UHFFFAOYSA-N 431.500 1.880 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748820662 GPSVNHLRZZNYJK-KRWDZBQOSA-N 435.594 1.709 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NC1CCCCC1 1748829791 JYOLRZDJWZRVSP-HSZRJFAPSA-N 427.549 1.842 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749364295 PCHUZASDEFWROU-FUHWJXTLSA-N 443.596 1.621 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1749940679 DTGHSSCWTGOZIP-HNNXBMFYSA-N 425.555 1.567 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760191252 DLJUZNCSNSUQSD-GOSISDBHSA-N 446.577 1.072 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1760262386 XABICBBDWKLIRH-VAMGGRTRSA-N 449.621 1.531 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC23CCOCC3)CC1 1760264778 FFWUJDMOTTXKLH-SFHVURJKSA-N 442.564 1.199 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1760272285 FIVPBIRUIQSTEF-UHFFFAOYSA-N 444.536 1.775 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1760280292 JGQCHPFIOIICNB-QGZVFWFLSA-N 434.610 1.390 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1760313189 KLSZLVUEYPLSKW-MJGOQNOKSA-N 440.552 1.514 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760345457 BWIWIKWYUVPKAM-MSOLQXFVSA-N 439.582 1.379 30 10 IDEE C=C(C)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1760349198 CXFRQJGLYPMXQI-RTWAWAEBSA-N 432.525 1.321 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1760419436 RSGLMZSVJJWFEN-IAGOWNOFSA-N 444.623 1.798 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1760440303 HALCYFIZHAWREQ-IAGOWNOFSA-N 427.571 1.438 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1765727985 DNSSGDIHGHUQNB-QGZVFWFLSA-N 446.533 1.576 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1766692544 SHKBTDMVXDOFGS-SFHVURJKSA-N 439.564 1.842 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1766744159 LFXIUTNXEZIOOB-WJOKGBTCSA-N 436.545 1.702 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1767050198 BBTXGUPUFUFECD-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE CN(C)CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1768517330 HOVCNLGEANSSKR-LJQANCHMSA-N 436.520 1.396 30 10 IDEE CS(=O)(=O)N1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CC1 1851330459 KRRJBXLUIJCGCT-UHFFFAOYSA-N 441.435 1.917 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(C[C@H]4CCCO4)C3)CC2=O)c1 1854102892 CXILYMUGXIGYAG-QZTJIDSGSA-N 430.936 1.944 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CC(=O)N(C)C2)CC1 1855594587 ZMDAGROGJQCMNX-MRXNPFEDSA-N 431.514 1.311 30 10 IDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)Cc3cccnc3Cl)C2)C1 1856384581 NUXHHZQCTBLYTE-CQSZACIVSA-N 425.876 1.682 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(C)c(Cl)cc3C)C2)CC1=O 1856774821 WCGUDUPUYGAYIG-LSDHHAIUSA-N 442.921 1.839 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858335373 LMUUKTXVFBYHQX-INIZCTEOSA-N 435.527 1.617 30 10 IDEE CC(C)N(CC(=O)NCC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 1868164673 IDBCINPFBWXJAZ-UHFFFAOYSA-N 432.477 1.851 30 10 IDEE CCN1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929186 BKWCBPRSAQIHME-LJQANCHMSA-N 444.532 1.640 30 10 IDEE N#Cc1c(NC(=O)COc2cn(CCO)c(CN3CCCC3)cc2=O)sc2c1CCC2 1870324424 JYQHIEMJWVICBJ-UHFFFAOYSA-N 442.541 1.876 30 10 IDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC(N(C)C)CC2)cc1=O 1870562751 UMWPURXHOFAJJM-UHFFFAOYSA-N 432.546 1.082 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCN(C(C)=O)CC1 1870755307 NJJSEXKICWNTPT-UHFFFAOYSA-N 442.491 1.855 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(C(=O)OC)cc1 1874432527 KGQDRXOIFFBXPN-LSHDLFTRSA-N 432.506 1.201 30 10 IDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)cc1O 1874471142 PVKNDENHFGPBQS-UFFVCSGVSA-N 431.474 1.762 30 10 IDEE C=CCn1c(C(=O)N(CCO)Cc2ccccc2)cc2c(NCCOCCO)ncnc21 1875231010 WFAFIVSPIXAYTF-UHFFFAOYSA-N 439.516 1.673 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2081010510 WRKMFCQOLGWAEG-QXSJWSMHSA-N 440.346 1.412 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 2247963653 YSMLSVSFHKJIQI-AAEUAGOBSA-N 440.293 1.893 30 10 IDEE CN1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H](CNC(=O)C(F)(F)F)C1 2255371790 AUSOQUXVHYXSLV-CYBMUJFWSA-N 428.264 1.180 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255636739 YQYZSGYDQZIHSH-UHFFFAOYSA-N 426.326 1.416 30 10 IDEE CN(C)CCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255694854 VAZXMNFQNYZYPB-UHFFFAOYSA-N 427.358 1.708 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255814725 COOBIAZIJLTSKU-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(OC)C(=O)OC(C)(C)C)n1 2255830606 IPRQLPVGOKGWLN-UHFFFAOYSA-N 438.334 1.731 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255886053 AVUYSHCILWJNGH-UHFFFAOYSA-N 435.330 1.652 30 10 IDEE CN(C[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267112264 DGOWJXOEJXKQDO-AWEZNQCLSA-N 449.361 1.443 30 10 IDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)OC1(C)C 2267464598 PQKLKUZRQOCDDN-CYBMUJFWSA-N 429.369 1.821 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c(B2OC(C)(C)C(C)(C)O2)n1 2267522897 ZKYPHZAZJYRLBW-OAHLLOKOSA-N 446.357 1.991 30 10 IDEE C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14281258 BSVWAMYUKSPKRF-MGPUTAFESA-N 427.482 1.620 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc2C1=O 16984295 IBQHQWQPCYBCFF-ZDUSSCGKSA-N 433.420 1.999 30 10 IDEE CC/C(=N/Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccccc1 21081604 XUIBZYMYBPBIJI-UUYOSTAYSA-N 439.505 1.466 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)N2CCS(=O)CC2)cc1 426589023 SMIMFGVBNGOUKS-UHFFFAOYSA-N 442.607 1.458 30 10 IDEE N#CC1(CS(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCCC1 433459405 XUKUBXFRDDZKTD-SFHVURJKSA-N 437.537 1.847 30 10 IDEE CCc1nc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)sc1C 434771377 BLINGIXBISNWJZ-UHFFFAOYSA-N 447.542 1.357 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 438957344 HKALALDMDQXHKI-KBXIAJHMSA-N 446.403 1.691 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)cc2C1=O 464056414 ZDVIQFHQPZJFJL-OAHLLOKOSA-N 442.497 1.894 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)CC1 466760544 JWIVJHAUFXOSMQ-MAUKXSAKSA-N 429.521 1.487 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 477434508 UJYLGAQQZCNPSS-CQSZACIVSA-N 445.566 1.284 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(C(=O)OC)cc2)C(F)(F)F)CC1 482415011 YVXJYMKCQPJLQS-QGZVFWFLSA-N 442.438 1.706 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 487334804 MGUXCPHNXKXQGT-UWVGGRQHSA-N 432.296 1.055 30 10 IDEE Cc1ncc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C#N 489240855 UCVMKWODLMCZJC-UHFFFAOYSA-N 433.921 1.542 30 10 IDEE COc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)ccc1OCC(N)=O 502460285 YSXQHXCXOJAIKQ-MRXNPFEDSA-N 440.481 1.585 30 10 IDEE COC(=O)COc1cccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 504721491 CEQWBJVEAMBSBM-SFHVURJKSA-N 436.424 1.954 30 10 IDEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508900587 BNJJLSJDDNUOIV-UHFFFAOYSA-N 436.538 1.040 30 10 IDEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508914327 SLPSQHXTMOGLDV-UHFFFAOYSA-N 447.543 1.894 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2)n1 512393541 SJJRSYCGECIPHW-LJQANCHMSA-N 434.500 1.465 30 10 IDEE CC(C)(C)n1ncc2c(O)nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc21 524104304 OODPZENFUIGXMA-UHFFFAOYSA-N 441.517 1.669 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccccc1 530654638 AOCMOTRQZWEBQB-UHFFFAOYSA-N 434.546 1.919 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 545462374 JMTNVXMCAPBXBY-UHFFFAOYSA-N 444.513 1.483 30 10 IDEE C[C@H](NC(=O)[C@H](C)N(C)CCOCc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 558176357 RGRXXQMREBEVTH-IRXDYDNUSA-N 444.557 1.920 30 10 IDEE COc1cccc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)c1 577309709 LWWGPSWXPXOVBJ-KRWDZBQOSA-N 428.514 1.488 30 10 IDEE Cc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1S(=O)(=O)NCC#N 609413191 ABVUMRQXHODGHW-MRXNPFEDSA-N 434.562 1.810 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 730141084 MJOXPVCJEXHNIS-DOTOQJQBSA-N 433.578 1.519 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 732152951 CQVWWMWKMKKQIU-YUAMIZPTSA-N 444.488 1.359 30 10 IDEE C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)O1 732706614 LVJWAPQUINQHOZ-FUHIMQAGSA-N 425.533 1.433 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)cn1 732795482 JRYFPFNFPPUZOT-UHFFFAOYSA-N 447.564 1.861 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@@H]2C)CC1 747736295 DGRQIRKCFYPJLF-HOCLYGCPSA-N 427.501 1.900 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758077378 PEWMITFRBRYYBB-UHFFFAOYSA-N 438.505 1.441 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 760318072 QGNPUMJNHQNRDM-GDBMZVCRSA-N 428.518 1.430 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3cc4ccccc4nc3O)CC2)o1 767790207 WPQROFVXMUEDFW-UHFFFAOYSA-N 449.467 1.933 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 781019598 GLXZYZXFBMBAMQ-CTNGQTDRSA-N 425.510 1.975 30 10 IDEE COCCN(Cc1scnc1C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 787687316 XAGJLVTZIPJEFD-UHFFFAOYSA-N 436.559 1.945 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)n1 788695359 JUFKRSJMJSOKKQ-UHFFFAOYSA-N 425.532 1.147 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)n1 788820601 UCCYPMBCKTWKLA-UHFFFAOYSA-N 434.493 1.385 30 10 IDEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)n(C)n1 790002534 CBQGQLAVJWZZKD-GOSISDBHSA-N 428.562 1.928 30 10 IDEE N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCN1C1CC1 799662428 AMOJMKUROJYNKI-AWEZNQCLSA-N 429.905 1.139 30 10 IDEE C=CCOCCn1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192543 SFIKIJMVAGHASZ-UHFFFAOYSA-N 434.547 1.296 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 916761586 LCSAKMALSCLDLN-UHFFFAOYSA-N 425.470 1.858 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3Cc4cccc(C#N)c4C3)c2)CC1 1130604075 KDDGJMUQASYHLE-UHFFFAOYSA-N 438.509 1.567 30 10 IDEE N#CC1(CC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOCC1 1142689001 SQCIDRIDHZJWPL-UHFFFAOYSA-N 449.529 1.391 30 10 IDEE N#Cc1cn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)nc1O 1157813221 BQFCDOMYZNQOJF-HTQZYQBOSA-N 446.254 1.450 30 10 IDEE N#Cc1cc(NC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccn1 1219694259 HJKQNDSTSZPZGD-UHFFFAOYSA-N 443.485 1.653 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)CC1 1222048127 WOTMVCVWPAJIIM-YOEHRIQHSA-N 428.942 1.211 30 10 IDEE C=C[C@H]1CCCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1252759275 CACKEZGMOLDIDT-SFHVURJKSA-N 436.578 1.897 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1286399965 SFSDKWPHTVUSNS-INIZCTEOSA-N 433.509 1.521 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1286421025 AAPVBXJMGHYFSV-QFIPXVFZSA-N 429.521 1.624 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1286447829 NQLDSIJDQKISGF-LJQANCHMSA-N 443.573 1.802 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccccc2F)CC1 1286479640 IGQXNQRTBGFGPR-QGZVFWFLSA-N 426.496 1.106 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccs2)CC1 1286490191 IFFHAXRIDJUEAK-KRWDZBQOSA-N 426.546 1.499 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286535732 FWDBENWPPNFMLN-UHFFFAOYSA-N 434.298 1.702 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286543053 GTPGRNLVMHBNGL-ZDUSSCGKSA-N 441.330 1.586 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC)C1CC1 1286736525 GDVJCQDBDORRHK-QZTJIDSGSA-N 438.598 1.250 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286783771 LBJHIGCWKHCUHR-OLZOCXBDSA-N 440.957 1.554 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286969302 OWHZURMWVAUJKT-WMLDXEAASA-N 440.533 1.609 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(C(C)(C)C)no1 1288825713 KCAVBKBKFDATQL-KZULUSFZSA-N 439.517 1.664 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1300516258 KFBHAIDRVXPVDT-SFHVURJKSA-N 441.557 1.695 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccn(C)n1 1300574491 BNKNXWHXGCBFGS-UHFFFAOYSA-N 436.545 1.483 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCCC[C@@H]2C)CC1 1300681293 MBBJQPCSUMSJLR-NRFANRHFSA-N 441.624 1.924 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1300700567 SJKRDTIAPRBIMF-QZTJIDSGSA-N 432.569 1.793 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(OC)cc1 1300780616 UYISJAYCMHPPNX-IIBYNOLFSA-N 447.561 1.968 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1 1300863187 KINHFLZNGVEWFC-AOIWGVFYSA-N 430.553 1.587 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 1301479276 YDEDNYMUCSWLJT-UHFFFAOYSA-N 441.536 1.054 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)F)C1 1302978216 HQHOCOKOLUOPQD-LJQANCHMSA-N 432.410 1.340 30 10 IDEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](C(N)=O)C2)o1 1302992322 XGHZVAPNTHADDH-JTQLQIEISA-N 430.266 1.860 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3)C2)c(=O)nc1O 1312379807 DDWYTEROKIXARF-LBPRGKRZSA-N 449.298 1.973 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1)[C@H]1CCCO1 1312541173 AQPAKLHDEMOTCL-OKZBNKHCSA-N 432.525 1.830 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@H]1COCCO1 1314400640 WRSIRTAFKIIKAH-NRFANRHFSA-N 440.548 1.814 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1316068142 GLIOVCDUAQPXRN-GOSISDBHSA-N 425.493 1.036 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1=O 1323952882 MZODHPRTROMMOB-XMMPIXPASA-N 448.479 1.932 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1Cl 1349176298 FBBGQERZWROYBL-OAHLLOKOSA-N 446.916 1.571 30 10 IDEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1351936715 IOAGWMUZAQIJNU-UHFFFAOYSA-N 425.576 1.859 30 10 IDEE C#Cc1cncc(C(=O)N(CCCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c1 1352197991 IGJZASQPDYWULG-UHFFFAOYSA-N 433.468 1.639 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)CCC)c1 1358902017 CLYNHMXNJKRULC-WZONZLPQSA-N 438.532 1.837 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1358938862 KTVDTTJWGPOYAJ-QGZVFWFLSA-N 428.512 1.791 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1358949444 CAADRNQSFYKRFW-VWKPWSFCSA-N 435.525 1.196 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358960323 BSMDNAQYNLVKSE-SFHVURJKSA-N 430.578 1.776 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1359024642 RTZDCFYJDZPRRR-RTBURBONSA-N 437.610 1.387 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1359301271 VSVOTJIIQJXNCG-MRXNPFEDSA-N 433.534 1.124 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1439612338 HJXHZAWLCYCZJI-FVJLSDCUSA-N 433.530 1.692 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1456477939 SBBAJFJKBGJNEL-KDOFPFPSSA-N 431.518 1.176 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)cc1 1471123601 RGGQTJBRAFOCLD-RTBURBONSA-N 440.525 1.243 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCC3(S(=O)(=O)NC(C)(C)C)CC3)CC2)c1C#N 1471200069 LGAJQAKEZUJNTK-UHFFFAOYSA-N 440.595 1.405 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1471936101 UMOHJXWHAJYSPL-GOSISDBHSA-N 438.546 1.646 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 1473220033 YNNYIKHYLYRBFB-APWZRJJASA-N 427.501 1.900 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1503476119 FSAFDLGAPFVAPW-MSOLQXFVSA-N 431.518 1.104 30 10 IDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1504572668 NQBDEAVJAUPBQC-HQRMLTQVSA-N 438.532 1.974 30 10 IDEE COCCOCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1505046062 XCZAOWOPERHGDK-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(CC(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@H]21 1505088350 DAZUFWAOALMROD-BSRJABJGSA-N 428.537 1.722 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC2CCOCC2)c1 1507512026 CFALHBNFFNFYKK-MRXNPFEDSA-N 426.521 1.875 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 1507583284 OWXLAKVWYYQOBA-UHFFFAOYSA-N 448.531 1.218 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507632223 YFZWCIGPSGAARU-ROUUACIJSA-N 432.550 1.265 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CC1 1507665332 VSFXNZNMSBCFFU-WJOKGBTCSA-N 434.529 1.295 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1507724814 XGQGPHOYVVGWRC-QFIPXVFZSA-N 425.606 1.456 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507752371 ZOSKDFJLWGSXMK-HOTGVXAUSA-N 427.596 1.009 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508088312 RORMDHRWYHEQTP-UYAOXDASSA-N 439.564 1.498 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCOC2)C1 1508117297 MUKWZZFJNNXUDW-VGSWGCGISA-N 430.505 1.895 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1516829849 DZLYMCRFDLAFOU-LJQANCHMSA-N 445.545 1.945 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C[C@H]1OC 1519499349 MJARIJYNGGGMEQ-KDURUIRLSA-N 426.521 1.829 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCCSCc2ccccc2C#N)[C@H]1c1ccnn1C 1523684438 SAEGMJBDDWEQCU-UXHICEINSA-N 427.530 1.630 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1cccc(I)c1 1532114543 ULWPAPQYLKSOMU-UHFFFAOYSA-N 437.241 1.904 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1539017000 WYPBTTAXDJHILC-AOIWGVFYSA-N 431.562 1.873 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1539045119 QCAUZOQVXDSQCR-UHFFFAOYSA-N 425.493 1.200 30 10 IDEE COc1ccc(-c2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)cc1OC 1539118442 MQUNHWMCBLMUAR-ORAYPTAESA-N 433.511 1.838 30 10 IDEE C#CCN(c1nnc(C)n1CCCS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539204717 CIVJHLKJOBWKFU-KRWDZBQOSA-N 436.559 1.077 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1OC 1539232908 ULYYAQWQQAJQGS-UHFFFAOYSA-N 432.488 1.351 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1539300964 YRFISKLNWWULFZ-REWPJTCUSA-N 429.565 1.502 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCCOC)CC1 1539481785 FJVQEJMORKIVSX-UHFFFAOYSA-N 425.533 1.880 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1539710939 RYMABVMPBCWFNV-UHFFFAOYSA-N 427.505 1.989 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540869634 SFSHOOIEAKJQAB-MRXNPFEDSA-N 449.515 1.959 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540873459 YLZPMYDXGCKCBU-KRWDZBQOSA-N 425.537 1.259 30 10 IDEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540919979 KNTLRBXFPYFPGX-INIZCTEOSA-N 444.561 1.999 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1[C@@H]1C[C@H]1CF 1541942886 MITINSDYMZCFJL-VNQPRFMTSA-N 448.528 1.012 30 10 IDEE CCC[C@](C)(O)Cn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1546853173 GQWIQXACFJQSCW-NRFANRHFSA-N 430.557 1.606 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1547765364 LWYFWSRTDBRKPF-UHFFFAOYSA-N 449.515 1.725 30 10 IDEE COC(=O)[C@H]1CN(C(=O)NCc2ccc(C#N)cn2)CC12CN(C(=O)OC(C)(C)C)C2 1564873739 KALBATWSDNIORO-MRXNPFEDSA-N 429.477 1.505 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)c1 1586966893 DFMRXYGVYBBYEI-INIZCTEOSA-N 439.534 1.517 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1587554904 AAMXMKZFXCLXEM-ROUUACIJSA-N 425.537 1.740 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1588054295 NCPJVFQRQFZDHI-IBGZPJMESA-N 441.557 1.710 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1588083251 CWSBJYKUSUGTMA-IKGGRYGDSA-N 441.557 1.894 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1588205984 YXDSIAZVXCNYCO-UHFFFAOYSA-N 435.484 1.386 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCn2cncn2)CC1 1588790927 HJSBIWVYVKBLMR-UHFFFAOYSA-N 441.337 1.755 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1588872167 YCTLQHNHIAJVMS-NRFANRHFSA-N 426.565 1.881 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)OC 1589216742 WKMCMGPWRYRROT-GPMSIDNRSA-N 425.555 1.028 30 10 IDEE N#Cc1ccc(Cn2cc(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)cn2)cc1 1597582854 QSHBZPFUVRRQMI-UHFFFAOYSA-N 440.463 1.813 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CCOC1 1610350196 SWOKCOSBISRAKR-GOTSBHOMSA-N 441.532 1.978 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1618668838 YLMKBQSENWDZRF-UHFFFAOYSA-N 425.537 1.357 30 10 IDEE COc1ccccc1OC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1619439320 BFMLGQRKCMCEHA-SJORKVTESA-N 442.520 1.869 30 10 IDEE COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1619919335 SJYOSBDJEHCEOL-MSOLQXFVSA-N 431.518 1.276 30 10 IDEE COCCOC1(Cn2c(C(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1620035004 PUWWHXMSVAELHT-IBGZPJMESA-N 432.569 1.790 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1620044026 RIUOQYAYDQEJQZ-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cc[nH]n1 1623641576 VTVXNAQYDMSEPH-MRXNPFEDSA-N 430.461 1.607 30 10 IDEE CC[C@@H](O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)nn1 1626285485 LOQHZYIWPUCVOD-LTUQMTLXSA-N 448.549 1.894 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)nc1C 1627230419 UMNCYAOKGOQHGU-UHFFFAOYSA-N 425.561 1.948 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1629636709 JRRLDQHMDHQJEV-HNNXBMFYSA-N 426.454 1.544 30 10 IDEE Cc1ccc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1636131135 KQAXROSGYCXDMC-HXUWFJFHSA-N 441.381 1.719 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1636714586 DNTMBFFPSQSIST-NVXWUHKLSA-N 445.520 1.849 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CC[C@H](O)[C@H](O)CC1 1644986874 BBEAPGNTGQVMJT-XMQYKBBCSA-N 427.295 1.879 30 10 IDEE C=CCCCS(=O)(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1656088845 GPZVSGMUFHJWBV-UHFFFAOYSA-N 430.571 1.573 30 10 IDEE Cn1cc([C@@H]2CN(C(=O)NCc3nc(C#N)cs3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1685441431 MJAOUXLHVBBYRE-LSDHHAIUSA-N 431.522 1.951 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1689853435 SPMODBBIUGRWDS-HQRMLTQVSA-N 443.573 1.799 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C1CC1 1690095488 RPJVENRCTXHTIE-UHFFFAOYSA-N 435.326 1.648 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cnn(CCOC)c2)CC1 1690146143 GYQGYNYFDGVJCL-UHFFFAOYSA-N 427.553 1.334 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(O)c2)CC1 1690146203 IDYHLAVLDXOROC-GOSISDBHSA-N 439.516 1.510 30 10 IDEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690157611 KRULNTQTQLBWJB-CRAIPNDOSA-N 447.536 1.875 30 10 IDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)c1ccccc1 1690441651 DFRUTRHGGGWATM-DOTOQJQBSA-N 432.550 1.184 30 10 IDEE C=CCCOCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690512298 TVCXIOLBEUXOJF-LJQANCHMSA-N 428.555 1.146 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690724781 WHSIBWYIBKAKMT-HNAYVOBHSA-N 425.555 1.083 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCC(O)CC2)cs1 1693360404 HMWXLSQHNSPHLC-SFHVURJKSA-N 431.566 1.209 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1694795003 RYTPTCGPCFSLTC-DLBZAZTESA-N 446.458 1.868 30 10 IDEE COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1698010994 GQIIDMURXLCRIG-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCCOC2)n1 1705631650 LPEKIMKHGZCLPZ-GOSISDBHSA-N 436.520 1.644 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1705643051 QWOCPYIEMQDVKD-QGZVFWFLSA-N 428.924 1.544 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)CC1 1705782293 TWQQKLUCUPVRHE-MRXNPFEDSA-N 433.582 1.977 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705809762 BKHCGQFSUIZISK-UHFFFAOYSA-N 443.596 1.615 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCC2)C1 1705819905 WXIIOOAWPWYAHN-INIZCTEOSA-N 425.555 1.337 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(F)c1 1705891015 UZNBSNIDOMOHBD-QGZVFWFLSA-N 439.513 1.581 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 1705894844 MSGPPAYVKBBRNI-MRXNPFEDSA-N 440.504 1.789 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(C)o1 1705897134 GTVQYBJGDSRCPB-LSDHHAIUSA-N 436.538 1.433 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2C#N)CC1 1705905753 FUTBSXNKXBWAEI-UHFFFAOYSA-N 442.527 1.764 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1705922649 QHMFBAQBPZCOSU-CMKODMSKSA-N 429.569 1.959 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1706054234 QBMWZIFUFYYXRF-IBGZPJMESA-N 438.463 1.862 30 10 IDEE CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1709974795 YJUWJNBYESOSLR-OMWDOIHDSA-N 430.509 1.517 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)COC)CC1 1710328334 DBCPFYZMNKXDFA-QGZVFWFLSA-N 425.537 1.357 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1712688175 QCENKEJPQLXSIF-MRXNPFEDSA-N 427.490 1.652 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCS1(=O)=O 1722293410 RNSXAOQKGPRJRQ-AWEZNQCLSA-N 441.517 1.087 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](COC)OC 1722390292 QBYSRSAESWIQML-GOSISDBHSA-N 430.530 1.473 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1722391792 USUBQEFNJIVXDD-URXFXBBRSA-N 442.608 1.419 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1722440664 BUSRSTRFUPGLHX-IBGZPJMESA-N 449.559 1.789 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1722537437 APHQNVWFUXVYMH-QFIPXVFZSA-N 445.568 1.583 30 10 IDEE C=C(Cl)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722551592 DBAABRJFAVVLGQ-OAHLLOKOSA-N 435.315 1.422 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCN(C)CC2)CC1 1722559649 DLFNQNSHQJHLEZ-MRXNPFEDSA-N 442.655 1.872 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnn(C)n1 1722659501 WEKAKYMVEMRAHK-NRFANRHFSA-N 442.499 1.834 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1726824299 CZESNOYHJQOEDQ-LEWJJULVSA-N 441.532 1.974 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1728792001 PSVJTLBBXOIFKO-OAQYLSRUSA-N 428.493 1.535 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1729188604 UQACXYQXINXIDK-ZFDMEJTGSA-N 438.554 1.187 30 10 IDEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1730441331 CPHIXNNKEZSNAC-MRXNPFEDSA-N 426.525 1.292 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCOCC1 1740650998 VVKORJJFSHFJET-IBGZPJMESA-N 435.528 1.900 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1740658716 NAGIUZRAPFELJW-UHFFFAOYSA-N 426.427 1.573 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)CC1 1740694633 PAAHKVRJQJPODW-HXUWFJFHSA-N 439.539 1.256 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C(=O)NC 1740714015 OXZJRVIARQRXFO-HNNXBMFYSA-N 429.546 1.901 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1740729920 NSGWNDPURHUAAS-WZONZLPQSA-N 436.516 1.747 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740761863 ZHQCQZIWPJOTEI-SCTDSRPQSA-N 425.599 1.928 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C1 1740987680 XLPUNISTJLJURS-CQSZACIVSA-N 439.563 1.009 30 10 IDEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1741624937 GGLVEBOWXWEHOR-UHFFFAOYSA-N 431.566 1.286 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1741804443 COGKALAMPHURCK-OAHLLOKOSA-N 431.522 1.359 30 10 IDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1744802665 CVCJRGWAEDWNDN-ZXYRZGOHSA-N 441.536 1.552 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1748725496 DVJJUNGFJGWQIH-KNQAVFIVSA-N 427.505 1.606 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1748811916 OEPHJJUVTUUKBQ-KRWDZBQOSA-N 427.534 1.115 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCCC1=O 1748830097 OVDFNTAYURPCJN-HSZRJFAPSA-N 427.549 1.794 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1750206732 NXSMHLFGCYUIME-OAQYLSRUSA-N 445.545 1.495 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750523796 CIXYUHHPBHLHMT-MUKKYZEKSA-N 444.536 1.560 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(=O)(=O)CC 1760108524 ZABKROSUYGTANS-HNNXBMFYSA-N 433.534 1.504 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CC[C@]3(CCOC3)O2)n1 1760252588 RYPGSBUNWZVMNV-DENIHFKCSA-N 428.537 1.661 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760524164 QLMJALSVMMJVMN-SFHVURJKSA-N 432.569 1.558 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1762268917 WUZRTMMPVPGDOM-KRWDZBQOSA-N 448.549 1.723 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)on1 1762683715 HAAQVTDECUEQLN-MRXNPFEDSA-N 442.501 1.697 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768634480 QWNKBCSLMXYJOP-RXVVDRJESA-N 445.545 1.230 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1769368406 AUMNLUXBMOLPNU-FGTMMUONSA-N 430.534 1.227 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1770977750 ZLPBYIVZEZINKT-QHCPKHFHSA-N 448.531 1.721 30 10 IDEE C#CCN(C(=O)NCCC[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1772515208 MBGQXYULWUEBDN-IRXDYDNUSA-N 427.567 1.998 30 10 IDEE N#Cc1cccnc1OCC1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)CC1 1848726912 WBOVDEAEWIRKDF-UHFFFAOYSA-N 430.468 1.890 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN2CCCCC2)cc1 1850124887 JAECJCKYOXDJAL-NRFANRHFSA-N 433.574 1.844 30 10 IDEE CC(C)(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cn1 1853959227 HHNCJASUJRYTCK-UHFFFAOYSA-N 426.498 1.924 30 10 IDEE C[C@H]1C(=O)N(C(=O)C2c3ccccc3Oc3ccccc32)CCN1S(=O)(=O)CC#N 1854693378 ADCSSXDVYSVZIR-AWEZNQCLSA-N 425.466 1.837 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(C)c(OC)cc3C)C2)CC1=O 1856788112 WMHWSHGEIHUUCB-CVEARBPZSA-N 438.502 1.194 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1CC(=O)N(C)C1 1857019199 OGXPKMPJEFQEMC-CVEARBPZSA-N 431.514 1.310 30 10 IDEE COCCc1nnc(SCCO)n1/N=C/c1cc(Br)cc(OC)c1O 1874474576 JZTVUARTODSRNZ-RQZCQDPDSA-N 431.312 1.910 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-n4cccn4)ccn3)CC2)CC1 1889463623 ONWWAZSFBHYTQG-UHFFFAOYSA-N 436.560 1.529 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(OC)cc3)CC2)CC1 1890275714 JWJZNSUDXJGESI-UHFFFAOYSA-N 429.561 1.723 30 10 IDEE C[C@H](C#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)NC(=O)OC(C)(C)C 1902007662 TYLPWMMTRFKNKF-OAGGEKHMSA-N 425.526 1.637 30 10 IDEE C#CCN(CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)C(=O)OC(C)(C)C 1985003820 GXNUMPBGAIXOLU-HZPDHXFCSA-N 425.526 1.591 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1991985026 BMYYWDSJDHYAQW-HUUCEWRRSA-N 425.526 1.944 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2131402510 GSGMKNFQENMBEG-ZFWWWQNUSA-N 448.329 1.644 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2255821227 BUHGEHRQQZRNHP-LSDHHAIUSA-N 432.330 1.553 30 10 IDEE Cn1ncc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828983 IAYRGVYIWPFTNC-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE Cn1nc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255843683 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COc1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 31295045 FEFCGEWZOXWUKP-MRXNPFEDSA-N 428.514 1.900 30 10 IDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1sc(C(=O)OCCOC)c(C)c1C(=O)OCC 71555337 CVILMUXSZHBYPP-LBPRGKRZSA-N 447.531 1.964 30 10 IDEE CCn1c(=C(C#N)C(=O)c2ccc(Br)cc2)sc(=Cc2ccnn2C)c1=O 433026587 QBYRBKPEVGKPIU-UHFFFAOYSA-N 443.326 1.812 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N(C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 433064918 AKJVKFDRYTXWLP-BATSVXPKSA-N 436.578 1.964 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C[C@@H]1CCCO1 445592798 RXMRVMJALIPGAX-HNNXBMFYSA-N 447.919 1.663 30 10 IDEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)C1=O 474388062 DKOAYGHBZFSMRL-IRXDYDNUSA-N 433.530 1.893 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CC(C)C)c1=O 478734332 REKBBZKXYUHRPI-UHFFFAOYSA-N 445.560 1.923 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 479910689 MFMKAKOGJIIUHM-INIZCTEOSA-N 440.525 1.646 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)CC1 492378560 ZWTPPADUIQFBKR-HNNXBMFYSA-N 434.924 1.148 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)OC)c2Br)CC1 495047162 NXNIUGHPZXLEJM-UHFFFAOYSA-N 439.310 1.687 30 10 IDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 504548665 XVDGHHHLZCAJGO-ZDUSSCGKSA-N 436.540 1.729 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CC2CCCC2)CC1 508897868 ZJBSQTOHYPGSJR-HNNXBMFYSA-N 438.598 1.740 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2scnc2C2CC2)CC1 534994779 IIEFQJOGWKNRAY-UHFFFAOYSA-N 445.526 1.364 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 609565209 FTMROGMXEGNMKH-HNNXBMFYSA-N 429.502 1.441 30 10 IDEE CC(C)OC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609889089 HIGYUFVCVJNUHB-IBGZPJMESA-N 433.530 1.902 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 619104329 RWZLBESWPHRFTH-AWEZNQCLSA-N 433.921 1.622 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 729330715 ICFJILXYJRVHGO-HNNXBMFYSA-N 443.502 1.326 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671758 OIEXAUDRCWDPQC-QGZVFWFLSA-N 436.537 1.855 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)cn1 732563882 GKDZYGGUEZOJDG-UHFFFAOYSA-N 433.537 1.636 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732672413 ILYCBCUUESLSNB-APWZRJJASA-N 432.322 1.846 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cccc(C)c3)c2=O)cn1 735069239 PWXBQRIQDWSEJZ-UHFFFAOYSA-N 433.537 1.596 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743732595 DLVUQZAIFPQWQG-AWEZNQCLSA-N 446.504 1.964 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)c(O)cn1C 750014029 SQSPVTDZDXQILR-HNNXBMFYSA-N 432.502 1.005 30 10 IDEE Cn1cc(C#N)cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 751728880 LKAAFXCXNZULKA-UHFFFAOYSA-N 430.486 1.867 30 10 IDEE CCOC(=O)C1=C(CN2CCN(c3cccc(C#N)n3)CC2)NC(=O)N[C@H]1c1ccccc1 760913238 MMOVCTCQQRUIIM-QFIPXVFZSA-N 446.511 1.947 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)ccc1F 763610826 IFGLAZJZTWCNGJ-CQSZACIVSA-N 444.488 1.818 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(OC)ncn3)CC2)ccc1F 763771970 JGZOASLWJSVDTH-UHFFFAOYSA-N 435.481 1.051 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 774271744 LMBNOOXJHBSNLE-GOSISDBHSA-N 447.605 1.781 30 10 IDEE C#CCN(C(=O)NCCc1ccc(OCCN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 775454556 KZKJQQHYOYGDCQ-FQEVSTJZSA-N 433.574 1.536 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 779399807 KKYBRZSCWDBSQW-TYPHKJRUSA-N 431.558 1.805 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 780203374 BQFHZDFRDKIKIC-UYAOXDASSA-N 426.450 1.479 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C 782816351 QZJQKBNBYYQNBB-SQWLQELKSA-N 448.545 1.519 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 783544624 ADKLEDZFVXFXPY-UHFFFAOYSA-N 429.292 1.152 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 790104283 MLTDJILDIASCBS-INIZCTEOSA-N 429.433 1.297 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2cccc(Br)c2)CC1 806779677 BZGWLHXQMURVIC-ISLYRVAYSA-N 448.321 1.807 30 10 IDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NCc2ccc(C#N)c(OC)c2)CC1 811937225 VZMCLXPPDHJNJP-UHFFFAOYSA-N 445.520 1.883 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 812179522 URQRDRLLJCZDBL-CVEARBPZSA-N 434.541 1.864 30 10 IDEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 815417286 ZIWAMVWTCZUHLC-UHFFFAOYSA-N 427.429 1.035 30 10 IDEE O=C(O)CCNS(=O)(=O)c1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)n2)cc1 916545530 MFGWGXBSDWNGDZ-FLIBITNWSA-N 426.454 1.916 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)cc1OC 1083952808 FKDMHEDWSBMCNC-UHFFFAOYSA-N 442.505 1.971 30 10 IDEE CCn1nc(C(F)(F)F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C(F)F 1134429053 MMOBOHAUSARKBP-RMLUDKJBSA-N 426.367 1.870 30 10 IDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1137575926 HMYPOCGZPCICMZ-WMLDXEAASA-N 446.895 1.254 30 10 IDEE Cn1cc(CNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(-c2ccc(C#N)cc2)n1 1138163900 VVLXKRUMVUPQQZ-HSZRJFAPSA-N 428.452 1.943 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1168606205 MZPMVUDQGATURK-KRWDZBQOSA-N 443.529 1.127 30 10 IDEE C[C@]1([C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)COC(=O)N1 1176242880 HXXDRWBMNOPTSH-JXHRLWIKSA-N 443.523 1.745 30 10 IDEE N#C[C@@]12CN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)C[C@H]1CS(=O)(=O)C2 1178756623 BUZXZHIPERZHDC-VOJFVSQTSA-N 437.930 1.681 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Br)ccc2C#N)n1 1189897540 WKJUCMMHBBNUPE-UHFFFAOYSA-N 437.319 1.988 30 10 IDEE COC(=O)[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1198421313 GRWSCXUBDCKBOT-WFASDCNBSA-N 439.559 1.345 30 10 IDEE C#CC[C@@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccccc1 1211075602 NFAPWJIBLXEMMM-HXUWFJFHSA-N 426.494 1.983 30 10 IDEE COc1ccc([C@@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1Br 1220841574 CYTBPKOFXVTARA-SNVBAGLBSA-N 436.266 1.652 30 10 IDEE C#CC[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1230737302 JKMGFECLJBSDCY-GOSISDBHSA-N 434.562 1.202 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2(C#N)CCSCC2)CC1 1264347365 PKSAVFUAHOCBFV-UHFFFAOYSA-N 438.531 1.773 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1286278303 MWLJYNSTHWDOPY-HUUCEWRRSA-N 436.607 1.466 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1286387761 HWIDNVBNAMNHIR-KRWDZBQOSA-N 440.529 1.814 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCOCC1 1286530050 FDRYAEBWXYTYAB-IHFIDZABSA-N 431.581 1.963 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1286689176 XTIIOLGWHLXJCA-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1286740552 PNEGBPVQJHICKX-RBUKOAKNSA-N 427.505 1.846 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286788147 QQQHTUMKZBHLRO-MRXNPFEDSA-N 444.561 1.498 30 10 IDEE CC(C)(C)c1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)on1 1287015873 YDBIHRBEGZFQFF-HIFRSBDPSA-N 434.522 1.243 30 10 IDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)n[nH]1 1290460518 DIHQYUIYJCBWRE-CQSZACIVSA-N 435.492 1.065 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1293902567 LVAUKIXVRTUBGP-ZWKOTPCHSA-N 438.569 1.285 30 10 IDEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1294147720 JAOXTWXMWGRFKE-QGZVFWFLSA-N 437.504 1.066 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1300272523 NGURCZDUUSIHKC-LSDHHAIUSA-N 442.549 1.284 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1COCCO1 1300282056 GBPSSVONXSAVJU-NVXWUHKLSA-N 433.534 1.069 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300489617 QGUCCYGPERBNFL-HXUWFJFHSA-N 440.573 1.784 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300495124 DBRBPNPTTFMNJK-SFHVURJKSA-N 438.594 1.547 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC(C)C)NC(=O)OCC 1300505967 KYPDJZSIVDTKNE-SFHVURJKSA-N 428.537 1.748 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300574487 BNBGRGQZALBCEB-PMACEKPBSA-N 449.538 1.488 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCOCC1 1300619317 VQSHWNOWHKCNJS-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2ccccc21 1300654321 WRROATWFDZONSN-AEFFLSMTSA-N 431.562 1.704 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC(=O)N(C)C)CC1 1300709945 MDGHXCGCDKCQOQ-UHFFFAOYSA-N 426.521 1.099 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)NCC(F)F)CC1 1300710290 ZLHGIILDBPFWDK-UHFFFAOYSA-N 448.474 1.002 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1301216054 BMKVSFBSBAAPGN-QUCCMNQESA-N 437.548 1.544 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(F)F)CC1 1301510055 RVDNLTFRHXYCIH-UHFFFAOYSA-N 443.502 1.970 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)C1 1301555800 DKUZXMKBWIMFJX-ZWKOTPCHSA-N 425.599 1.692 30 10 IDEE COCCN(CCC#N)c1nnc(C2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301806886 WZZVFXSTAFYLKV-QZTJIDSGSA-N 436.582 1.726 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCC#CCN(C)C)c12 1302295766 SXZGHNYYOGKRCR-MRXNPFEDSA-N 429.546 1.272 30 10 IDEE C#Cc1ccc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 1311443677 CTWCQCCGSUKFJI-UHFFFAOYSA-N 427.526 1.829 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1313551100 WYKJWUGKDPPJQJ-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1314670346 KLNVVKIWWINUEH-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1315251149 IFLKVRSCRKRRAZ-FQEVSTJZSA-N 448.549 1.283 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1316265310 XTLNWUAJKNTODE-VQTJNVASSA-N 427.505 1.864 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1358961316 WHWSTWSMJSZJNJ-INIZCTEOSA-N 445.936 1.517 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1358977226 HPUAVOSTZZVGQC-QZTJIDSGSA-N 440.548 1.949 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1359000295 RBZWUDRQVQDIBY-LBPRGKRZSA-N 444.359 1.007 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(N)=O)c1 1359064445 SOYVAFNDRSEWSZ-JLTOFOAXSA-N 430.534 1.028 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)C1 1359313236 JBJBZQFABPXWDX-CABCVRRESA-N 429.612 1.955 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN2CCN(C(C)=O)CC2)C1 1359324581 NKFWEIBLVAVUBX-HXUWFJFHSA-N 444.605 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359335084 ZSTABSPOYILNQV-IBGZPJMESA-N 437.610 1.964 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)cc1I 1449736944 GMCAMNQXOQJOTD-LBPRGKRZSA-N 446.289 1.948 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3c4cc(F)ccc4OC[C@@H]3CCO)CC2)o1 1460339873 ZUQLIGMQXFGSNZ-INIZCTEOSA-N 429.452 1.292 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C#N)c1Br 1460845208 GTQAKBMYXPSVQC-CYBMUJFWSA-N 443.319 1.902 30 10 IDEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1461765794 HXARKWLDWBEBLM-CTNGQTDRSA-N 445.479 1.771 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NOc2cccc(C#N)c2)cc1 1471085481 FKZQLVGCFDNRPA-FXAWDEMLSA-N 429.498 1.916 30 10 IDEE N#Cc1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 1473042393 FBXGWVGUKRJWHR-UHFFFAOYSA-N 440.525 1.132 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OCC 1475577603 CHHZPKLPIITWBN-SFHVURJKSA-N 428.938 1.986 30 10 IDEE Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCNS(C)(=O)=O)cs1 1492665890 WVNXAGPYPALNNL-UHFFFAOYSA-N 445.574 1.691 30 10 IDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1494839666 ANIGMNXTDLOJFL-FHJLPGHOSA-N 438.532 1.852 30 10 IDEE CN(OC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1503643959 OOQAXRKDUDQNDA-UHFFFAOYSA-N 440.504 1.898 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507630963 AHXYVVGPNAJFPH-RBUKOAKNSA-N 435.594 1.285 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1507690217 QUKCLBYELKLIRO-KRWDZBQOSA-N 439.488 1.397 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1507711173 PJVOGCCRGBXQLM-SJORKVTESA-N 446.529 1.106 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1507753065 IFKSGZMVBIPKRK-RBUKOAKNSA-N 430.578 1.890 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1508014431 VYGDVGDXOWSSEW-UHFFFAOYSA-N 436.607 1.841 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1508071889 NHDOHIMTRVOSML-HKUYNNGSSA-N 438.532 1.783 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCc3c2cnn3C)nnc1[C@]1(OCC)CCOC1 1508092227 ALMFBXMEDUCAOD-VGSWGCGISA-N 443.552 1.480 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1509213192 FOSGDGKIRHNNJW-QGZVFWFLSA-N 443.577 1.505 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)O1 1513532970 IUNXHGSFKSSWRV-DTDBQYNISA-N 428.534 1.678 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCOC1 1517067230 NPWHRQZPOZUOMZ-KRWDZBQOSA-N 433.472 1.496 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1519377460 VOLXQOOFPFNTGH-OSCRUYLVSA-N 430.509 1.314 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCC(O)CC1 1519429398 KWHFRJOAOLMDCQ-FPOVZHCZSA-N 446.596 1.979 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc(C#N)oc3C)CC2)cc1 1531317790 QOTLSZLOAHEXDV-UHFFFAOYSA-N 432.502 1.350 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1539342898 BLERGPYLJDJFGN-HNNXBMFYSA-N 436.607 1.468 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCCS2(=O)=O)CC1 1539468312 DGDJTEWYWREZGD-AEFFLSMTSA-N 435.594 1.725 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)CCOC)CC1 1539475734 NHRKLFGEMJFDTH-JOCHJYFZSA-N 428.537 1.037 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1540071749 HMPZOCLXEFEYTM-IBGZPJMESA-N 446.577 1.555 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 1540878229 RRTZGOAOBJRZFU-MBSDFSHPSA-N 438.532 1.805 30 10 IDEE CC(C)c1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)n1 1541314921 GTTUHGDLHXXNOP-SJCJKPOMSA-N 441.558 1.958 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1541799942 QCJPOCINYKGKFG-VBKZILBWSA-N 430.534 1.565 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N 1542027810 GMQTZXAXYNRGOI-HNNXBMFYSA-N 427.509 1.718 30 10 IDEE Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)n(C)n1 1542998695 ZUZOOUMMVFHHDN-OAHLLOKOSA-N 445.325 1.865 30 10 IDEE COCc1nc2n(n1)C[C@H](NC(=O)C1CN(c3ccc(Br)cc3C#N)C1)CC2 1545494056 VGGHPGBDZUGCAM-OAHLLOKOSA-N 445.321 1.626 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1547319901 DBHGGISZOOVWBD-IRXDYDNUSA-N 440.460 1.321 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCO[C@@H](C)C1 1548169113 CICMGMKECNZRFH-WMZOPIPTSA-N 442.568 1.870 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)Cn2ccnc2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367782 NGTGFTQJOOVLST-QGZVFWFLSA-N 434.422 1.545 30 10 IDEE CN1C[C@@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1557243595 VOIPUCVHUOZRIO-OALUTQOASA-N 441.532 1.673 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 1558073233 OAMHPBDIGNMIGO-UHFFFAOYSA-N 434.949 1.973 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1558075514 WUCIQCFQEWNEBK-KRWDZBQOSA-N 442.582 1.026 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCC[C@H]2CCCS2(=O)=O)CC1 1565277920 DBSPYHFRYVBPJE-CQSZACIVSA-N 433.490 1.605 30 10 IDEE Cn1nc(I)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568507354 BQCJQWWPRNEHCE-ZDUSSCGKSA-N 449.252 1.427 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1569676462 UBUBJHFFYILQOK-OAHLLOKOSA-N 439.877 1.956 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)c1 1585666441 VCOXXIIZADTSDY-UHFFFAOYSA-N 426.560 1.370 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCn1cc(Br)cn1 1588647517 WKTNQKSOXYIMIZ-OAHLLOKOSA-N 437.342 1.917 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](CCC)OC)CC1 1588780176 JCZKDKFYZKNRQC-HXUWFJFHSA-N 435.536 1.491 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588876942 OVQCYBGITFNZOQ-FZONSQQESA-N 431.581 1.492 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@@]1(OCC)CCOC1 1589124960 FUWFGOJZDNMPOQ-LAUBAEHRSA-N 435.594 1.792 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(O)c2)C1 1595723144 RZCYVDBQJOIWID-DLBZAZTESA-N 448.545 1.724 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1606966183 FBTHEJDYUTXJRZ-OLRZCDJHSA-N 441.623 1.857 30 10 IDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1607925108 GMVGBNJJBCYHNU-UHFFFAOYSA-N 432.532 1.813 30 10 IDEE CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1615600064 IYTKLICURYCCKQ-INIZCTEOSA-N 427.523 1.800 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC(F)(F)CO1 1616922561 DRFNUZUHCYLYLF-MRXNPFEDSA-N 433.463 1.832 30 10 IDEE CCOCc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616955981 QOFYIMQKQNYWPX-QIEZACGCSA-N 446.552 1.982 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CC2)cc1 1618181944 VIUSTWQEIQVJDT-SFHVURJKSA-N 444.582 1.804 30 10 IDEE CS(C)(=O)=NCC1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1620596419 OJPJLRVTXOEGCA-SFHVURJKSA-N 437.635 1.897 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)cc1 1624676725 WZNGDRBCLDHUQL-UHFFFAOYSA-N 439.515 1.783 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(NCCN4CCOCC4)c(F)c3)CC2)c1 1624912760 MUCODRAZIATNHC-UHFFFAOYSA-N 438.507 1.799 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1628907845 XTANFJRQQROLLR-XJKSGUPXSA-N 437.566 1.836 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1629218055 CDVPLTHKQOFFNE-BLLLJJGKSA-N 446.472 1.963 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 1632219452 WLECDNXSAYYVTD-LJQANCHMSA-N 440.525 1.911 30 10 IDEE O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1639050538 WVZOHAGIOUCRPQ-UHFFFAOYSA-N 436.399 1.889 30 10 IDEE CS(=O)(=O)c1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1F 1640733106 QSPKHOJDCPNKOM-UHFFFAOYSA-N 439.490 1.687 30 10 IDEE C[C@H]1Cn2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2CN1C(=O)OC(C)(C)C 1652520727 FBRDVWGXXZITSR-YRVVQQKDSA-N 449.533 1.033 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncc(C#N)cc3Br)CC2)C[C@@H](C)O1 1654966107 HIWLWILXCDZFJW-CHWSQXEVSA-N 444.355 1.192 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCC[C@H](CC#N)C3)CC2)cc1 1674219523 UQBQZAZJFAKCDU-GOSISDBHSA-N 449.577 1.482 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1 1685797582 OTDLWYDKJWHHOI-UHFFFAOYSA-N 433.559 1.866 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689938868 ZHZPWDAOSFYBGG-UHFFFAOYSA-N 435.525 1.881 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690082867 RFLNVTURCLNGKI-MRXNPFEDSA-N 442.486 1.513 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 1690133666 PBZOAHDSRMBEBW-UHFFFAOYSA-N 428.512 1.524 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1690669260 ZKWGJIWJIGNKGC-SJORKVTESA-N 444.536 1.948 30 10 IDEE CC(C)CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1692455300 OQLMUAPPHAMYFW-HUUCEWRRSA-N 430.600 1.396 30 10 IDEE Cc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)sc1C 1692910288 ADWGHLYWVGXCLJ-UHFFFAOYSA-N 445.574 1.924 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1693218161 GWJRYMUYULDKNB-NRFANRHFSA-N 428.468 1.466 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC(=O)N1C 1693775356 RLWXCFOLLNLFGS-HKUYNNGSSA-N 438.532 1.927 30 10 IDEE CCN1CCN(CCCCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1695895091 CSPLMUPUIAETSX-UHFFFAOYSA-N 437.596 1.598 30 10 IDEE Cn1cc([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)NCC(F)F)C2)cn1 1696856095 ZAJSUYLLQBOFDB-MRXNPFEDSA-N 440.458 1.925 30 10 IDEE CSCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1698388830 GMTLATVEHQQEGC-ZWKOTPCHSA-N 447.586 1.820 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1705478095 WLPYKUXJBAFATE-DLBZAZTESA-N 441.561 1.639 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1705582467 BMEGXRCLWVPPDC-IRXDYDNUSA-N 435.500 1.644 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1705652213 SGTMQHKHPQBDPY-MRXNPFEDSA-N 428.628 1.175 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705737695 YADQRWAFZXRCCK-GOSISDBHSA-N 426.521 1.732 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC(C)(C)[C@H]1C 1705896717 VYDFAFVBPSBVKS-OAHLLOKOSA-N 447.561 1.655 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2)CCOC1 1706680531 RGHVZWUHJMNWBC-UGKGYDQZSA-N 432.569 1.923 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1722351088 GMEKSAPEELKDHR-QGZVFWFLSA-N 445.570 1.943 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722361148 LTXRRFHKWRMWTP-SZMVWBNQSA-N 432.550 1.120 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1722382176 FQURYNFKKHTVQE-NRFANRHFSA-N 448.552 1.546 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)CC)CC1 1722439992 ABONDDODPUOZTK-UHFFFAOYSA-N 445.589 1.664 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCN2CCOCC2(C)C)CC1 1722444536 KIVSTJDKSSJDMA-SFHVURJKSA-N 430.597 1.868 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1722500573 JOYHSHVVJQUEGX-JKSUJKDBSA-N 427.571 1.834 30 10 IDEE CC(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723637227 PHLASOQUEDEIHS-GOSISDBHSA-N 438.536 1.638 30 10 IDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)Cc1ccccc1 1726401734 BMOWAFULTKBWBR-UHFFFAOYSA-N 430.516 1.838 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1729486882 LAYNKCKVWLCTRN-FVGNFYTDSA-N 437.504 1.263 30 10 IDEE COC(OC)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1729906453 QVWPAVQMJSMGLL-IRXDYDNUSA-N 426.477 1.298 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1730292406 OWTBSVLRAVXIHZ-LJQANCHMSA-N 436.513 1.259 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)C(C)(C)C 1730762954 PBXHTFPZDHYHDB-MRXNPFEDSA-N 427.571 1.752 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC#C)CC1 1740592563 ZMHPIRJARMELDV-LJQANCHMSA-N 442.564 1.755 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 1740804688 CVXGAHXYYZGZIN-UHFFFAOYSA-N 438.941 1.226 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1740876846 WWGZXZVZINJMGV-LPHOPBHVSA-N 425.555 1.194 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740990602 WZDKDNCOOWHBHF-ZWKOTPCHSA-N 433.534 1.325 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@H]1CCOC1 1741917383 DNUVXBNGUCEVLL-NVXWUHKLSA-N 440.570 1.071 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1748646742 CZBRVRSMJNFQTL-NJNPRVFISA-N 427.553 1.791 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1748848336 BMFUYKJHEYTUKI-QGZVFWFLSA-N 441.482 1.715 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1 1749065056 SLOHEEDZRJBHRB-DNVFCKCGSA-N 427.597 1.495 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1749228477 AGOYNYAGDBJMSD-AWEZNQCLSA-N 435.497 1.049 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)NC(C)C)CC1 1749285599 PYBHLCQRZPPCQQ-UHFFFAOYSA-N 433.538 1.410 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749457126 OGHWDTSXJSOHOT-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(C)C)C1 1749655237 FNWFCZRHVCDWJC-SFHVURJKSA-N 447.561 1.512 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1749663867 SHTNYLGSAXMCEF-MRXNPFEDSA-N 435.488 1.432 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1749932329 DKZHRIZKPSECRI-FQEVSTJZSA-N 425.537 1.500 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760145271 LLOASQXNACIHDC-QGZVFWFLSA-N 433.582 1.723 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1760179440 RNGGKPGBFKXNLG-KRWDZBQOSA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760187435 DFGDQMSUBNDGQQ-FQEVSTJZSA-N 438.557 1.938 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1760232598 IZJOBZVDUIAUEI-UHFFFAOYSA-N 431.504 1.872 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccnc2OC)CC1 1760255812 APYCHONNMLYDQR-JOCHJYFZSA-N 426.521 1.137 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)C2CC2)CC1 1760264166 DJSOHIUFLORGCN-QHCPKHFHSA-N 425.533 1.782 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1=O 1760288516 FKBDCJYWCZJLBJ-OXQOHEQNSA-N 436.582 1.283 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760445434 JTVYNERWLLNBCW-MOPGFXCFSA-N 432.569 1.264 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1760528157 UEQYEZAVXVNSDN-KRWDZBQOSA-N 430.484 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760556711 NQIGBPSPRBMYBQ-INIZCTEOSA-N 449.552 1.666 30 10 IDEE CCOCCN1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1CC 1768172492 PYOPOGPAJXJMJS-NHKNDPDJSA-N 431.541 1.050 30 10 IDEE CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768250618 VHLJUKBFPSHVRM-UHFFFAOYSA-N 430.534 1.905 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1769272199 KMVRDVSNFHRIFH-GOSISDBHSA-N 429.500 1.011 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)OC 1770782207 XDEUFAJVEDJWSX-KNQAVFIVSA-N 443.504 1.386 30 10 IDEE CS[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771381844 QQJDBCAVOCWVKK-ZDUSSCGKSA-N 427.534 1.801 30 10 IDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1852556108 FXNBPJPNHWSFIO-HNNXBMFYSA-N 429.436 1.929 30 10 IDEE CCC[C@H](F)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854206737 RDDIXNZAKFXPQY-IRXDYDNUSA-N 436.509 1.130 30 10 IDEE C=CCN1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C(=O)C12CCCC2 1856287980 MDGMZXCZFLONRB-HNNXBMFYSA-N 431.514 1.389 30 10 IDEE COc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857038446 CUVFWVISPYNAIY-GOSISDBHSA-N 433.530 1.487 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H](NC(=O)c4cccc(C#N)c4)C3)ccc21 1858329414 IJFMDPKEFBJONU-IBGZPJMESA-N 438.509 1.660 30 10 IDEE CC(=O)Oc1ccc(C(=O)N=c2nnc(CCC(=O)Nc3ccccc3C#N)c(O)[nH]2)cc1 1860838638 UJNPKJLFEONHEH-UHFFFAOYSA-N 446.423 1.620 30 10 IDEE COc1cccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)c1 1874309166 IWLVBUDXLQPVAK-SSDVNMTOSA-N 427.486 1.943 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1889947402 YFNMFYOYJWUZGR-SJORKVTESA-N 445.501 1.391 30 10 IDEE C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890259981 WJCQXTXSEOTQFQ-FQEVSTJZSA-N 426.561 1.063 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2098184314 YTIXHDGOAHOKFR-JTQLQIEISA-N 435.153 1.825 30 10 IDEE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243676632 LPEVZWKPNDZLDO-JTQLQIEISA-N 442.372 1.508 30 10 IDEE CC(C)(C)OC(=O)NCC(CO)(CO)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2254548770 WCQTZAPKBSQHHC-UHFFFAOYSA-N 436.358 1.324 30 10 IDEE CCc1nn(C)c(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255626865 LIHWKYSQHYIOME-KGLIPLIRSA-N 434.346 1.677 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2255648610 NBACBPXDUDDPAA-AGGWBTHJSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]21 2255694964 WRCLASICUMXFMP-FVQHAEBGSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255818507 LWVGOSDUHHFCOA-NRFANRHFSA-N 436.314 1.681 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255840448 MTQKYVCBAASPDO-INIZCTEOSA-N 425.342 1.461 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2267009768 OJFTUHASHQRHDY-OAGGEKHMSA-N 448.325 1.943 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267272753 CQRCSJBVJZXUEF-FUHWJXTLSA-N 439.369 1.612 30 10 IDEE CC1(C)OB(C2(C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C3)CCC2)OC1(C)C 2267461495 RSJYLMXCQXZVDE-RYUDHWBXSA-N 447.263 1.384 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)n1 2267543973 NIUIETGXNUCOBT-UONOGXRCSA-N 449.361 1.680 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)cc1O 2330748519 YFHKPFFASIYNQI-UHFFFAOYSA-N 447.502 1.395 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)O 2337195963 FZHRQANGSRYFKI-ZBFHGGJFSA-N 443.309 1.508 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(C#N)cc3)CCN2C1=O 4260166 BFSRTPBICFLGPF-DQLDELGASA-N 432.480 1.315 30 10 IDEE biogenic C=CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OC)ccc21 13791835 XDUQZDLEPHNJSP-BVGIJJTOSA-N 437.543 1.774 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cn1 59830134 QHCKTOXLKIUXQC-LSFURLLWSA-N 429.485 1.368 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCCO4)=NC(O)=C2[C@H]1c1ccncc1 72461216 VXCPNXQNDYUGAR-YJBOKZPZSA-N 444.451 1.924 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccn2)c(C)n1 102753558 LVQRDRYTPDRXQI-LCPUNJGISA-N 437.500 1.632 30 10 IDEE CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COS(=O)(=O)c1ccc([N+](=O)[O-])cc1 254624929 UKCMSQOXSADUBO-CWVYHPPDSA-N 445.446 1.697 30 10 IDEE C[C@H](C(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO)n1cnc(C#N)n1 409637693 IDJMZATYSDPURH-LLVKDONJSA-N 430.266 1.968 30 10 IDEE Cc1ncc(S(=O)(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1C#N 427131923 XAOQXAYKWUWXMV-IBGZPJMESA-N 428.470 1.077 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 443477564 QVZLHTMUSWBGHS-AWEZNQCLSA-N 442.335 1.580 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447778396 JCILMEPQERNPFZ-UHFFFAOYSA-N 435.553 1.779 30 10 IDEE COc1cc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1C#N 464699333 LWXWIZYAZNTQDX-UHFFFAOYSA-N 435.527 1.508 30 10 IDEE CCN1CCN(c2ccc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cc2F)CC1 465260854 BKJXHMYXOGBABW-KRWDZBQOSA-N 437.523 1.980 30 10 IDEE COc1cccc(N2CC[C@@H](CNC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)c1 472117130 FMZNQXMOQIPMJA-SFHVURJKSA-N 437.548 1.967 30 10 IDEE COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc(C)o1 472803255 DKRCYQBRSSGVCN-KRWDZBQOSA-N 432.502 1.863 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c(F)c1 480738481 XUQXQVPBUWTZGE-INIZCTEOSA-N 443.456 1.524 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)C2=O)cc1 487275572 KQHITGRZKYOAFV-SFTDATJTSA-N 449.486 1.899 30 10 IDEE CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C1 505013653 MHAWVHGPTUJBME-LJQANCHMSA-N 425.533 1.944 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 512714104 MOWUOQIWAWDYPU-HNNXBMFYSA-N 439.343 1.793 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)Cc2ccco2)c1 522125153 SLCWGLFGAVVIGZ-SFHVURJKSA-N 449.554 1.918 30 10 IDEE CC(C)CN(C(=O)CN1CCCN(c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 524156176 PTGXPBXVAVEFGK-HXUWFJFHSA-N 432.590 1.742 30 10 IDEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ncccc2C#N)CC1 532902040 NYKFXWYLMXMGGH-HNNXBMFYSA-N 436.472 1.583 30 10 IDEE CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 533147169 ALEKPPQUWOZNTB-PTUXOGIPSA-N 428.581 1.390 30 10 IDEE CN(C)S(=O)(=O)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 541432316 SQXLUHWQAJUPCM-OAHLLOKOSA-N 429.340 1.049 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ncccc3C)n2C[C@@H]2CCCO2)CC1 549499626 ARPYDFBVUIEXJQ-SFHVURJKSA-N 425.537 1.252 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)CC3)CC1 549701936 OYFMGSQCYHASET-AWEZNQCLSA-N 442.470 1.413 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCCO2)CC1 558981695 IZJHUCFVPNFMIW-ROUUACIJSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCO2)CC1 572545581 WVPQPRVTWAWIAE-SFHVURJKSA-N 425.537 1.252 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)cc1 727370963 RKDTZBQJSBBALM-SFHVURJKSA-N 429.523 1.752 30 10 IDEE C#CCN(C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 729335971 YFBMQAMUKWBULA-KRWDZBQOSA-N 426.560 1.167 30 10 IDEE C[C@@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 732402189 OENYUTBXOYPOEO-RHSMWYFYSA-N 443.481 1.936 30 10 IDEE C[C@@H](CS(C)(=O)=O)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 733201479 KUSNLCMKWKPTIO-GOEBONIOSA-N 440.591 1.119 30 10 IDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1=O 749817703 BQMJMUWJTHEAKP-HXUWFJFHSA-N 444.444 1.507 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ncn(C)n2)C1=O 768422763 UEZZVXXSJAMOAO-HNNXBMFYSA-N 433.513 1.154 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 769720674 VLKMWHNGRYNFIS-FIXIBIHLSA-N 435.230 1.397 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2ncn(C)n2)cc1 780319653 YBIGEAQYCYETON-RDJZCZTQSA-N 443.577 1.884 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@@H]1CCCO1 782587912 DKQQDCFZBDKACJ-AWEZNQCLSA-N 444.582 1.450 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1C 782659490 ICLYSSOXQIEBLH-UHFFFAOYSA-N 429.458 1.287 30 10 IDEE Cc1nn(C)c(N2CCN(CN3C(=O)NC4(CCC(C(C)C)CC4)C3=O)CC2)c1C#N 788043377 BBHCWPZVJJZCLC-UHFFFAOYSA-N 427.553 1.817 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1=O 801775148 YKBAGAFKPDEBOK-OAQYLSRUSA-N 434.493 1.213 30 10 IDEE C[C@@H](C#N)OCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 801808228 PZNFXYHGZKHCAV-LBPRGKRZSA-N 447.307 1.555 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 852994869 APLXLEQNNXIUBB-CHWWFWEZSA-N 434.518 1.347 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CCNC3=O)CC2)cc1 916709993 DBWHNGRXWPPAAL-NKFKGCMQSA-N 448.549 1.521 30 10 IDEE Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1C 917520571 MTKCNHXGUYNZFS-QGZVFWFLSA-N 429.502 1.864 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1126897745 RDTOQPWGOHOLFF-YDOWWZDFSA-N 444.285 1.623 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2 1136671545 LCNASUUDRVAZCA-XUTLUUPISA-N 427.411 1.895 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)NCC3CC3)CCCC2)s1 1148379235 QKWXQHGRQSKBOD-UHFFFAOYSA-N 425.576 1.710 30 10 IDEE CCOC(=O)CN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1149034062 RVHOGAGZWAFERH-FRIYVGAWSA-N 448.564 1.871 30 10 IDEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1179754080 SXOQYONEHQYQNC-IBGZPJMESA-N 443.481 1.251 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286390273 ZVDFFXMKZFQMRR-QGZVFWFLSA-N 436.607 1.695 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286393143 OXZZVLQEYWHALE-HXUWFJFHSA-N 442.589 1.375 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286484986 STETWOPHXYEPOF-ZWKOTPCHSA-N 442.589 1.576 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(CC)C(C)C)CC1 1286491626 ZJCHNVMFMIZFCS-UHFFFAOYSA-N 437.592 1.960 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)NC(C)C)nnc1[C@@]1(OCC)CCOC1 1286566181 MJPVHQPHJSYDCD-ZWCUEREDSA-N 435.569 1.872 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1286711890 QNUSUMCHWWCHQS-IBGZPJMESA-N 448.593 1.886 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286821725 TVNFEBDQEHAOPQ-OALUTQOASA-N 443.573 1.493 30 10 IDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)cnn1C 1289238068 SDUKYTIOEKGTRN-UHFFFAOYSA-N 427.534 1.778 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCCC(=O)N(C)C)CC2)c1C#N 1290576728 HFUFZMSHDLGAGA-UHFFFAOYSA-N 439.568 1.654 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC(C)(C)C1 1300761215 ALIFEFJXEQMVME-HNNXBMFYSA-N 426.608 1.940 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1300990378 DCDGPOMAAYMCDO-RDJZCZTQSA-N 444.540 1.397 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1301258409 ROGZAQFBAOYXBC-SFHVURJKSA-N 439.582 1.606 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1301492373 HINJDGJTZLMSIQ-UHFFFAOYSA-N 445.955 1.990 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301713958 PGUJPOVEGDOUCQ-MOPGFXCFSA-N 440.504 1.899 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1NC(=O)CC1(C)C 1301805958 TUQQCIPGFWOEQR-SFHVURJKSA-N 440.504 1.955 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCn1c(O)nc2ccccc21 1301806409 GILTVAZQZLEFNF-UHFFFAOYSA-N 433.476 1.857 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1302000673 OSWWIUCXKZGEIC-OAHLLOKOSA-N 425.555 1.567 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1302499312 OFJJPHBYUNRCHB-UHFFFAOYSA-N 436.563 1.221 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC=CCC3)n2CCNS(=O)(=O)Cc2ccon2)cc1 1302989631 NIXJGUPPVUOHPB-UHFFFAOYSA-N 439.501 1.691 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)C1 1307906903 DWMISIBTVNZBHO-IBGZPJMESA-N 440.544 1.829 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCCC)c1 1358871243 BJRZYMXZVOFNKX-JKSUJKDBSA-N 446.577 1.534 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1358890449 PONIRGAPMWLOFF-IEBWSBKVSA-N 442.589 1.950 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1358963004 AFDCCAOZWRFQEX-RXVVDRJESA-N 441.601 1.914 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1359012923 DDUANNZSGPKSBQ-OAQYLSRUSA-N 426.546 1.740 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCn2ccnc2C)CC1 1359043666 CSPFVJKKZWFDOA-UHFFFAOYSA-N 449.563 1.630 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359126716 WZJNAWSFDCTNPA-UHFFFAOYSA-N 438.536 1.602 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1359164580 SLZJVWHKDXNCEW-LJQANCHMSA-N 438.532 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(=O)COC)CC1 1359296072 WDGDDBJFPSLEME-UHFFFAOYSA-N 440.548 1.541 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(OC)C1 1359336478 RGIPZTHLPDTNKY-ABSDTBQOSA-N 442.582 1.608 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1360170812 PPTAETOMNXRFSF-VLGSPTGOSA-N 443.533 1.641 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1360277320 AUCUGGMLGIEMTJ-QGZVFWFLSA-N 425.537 1.498 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCC(CO)CC2)c1 1441732133 GLDRPXQLMMCOEF-ATJXCDBQSA-N 436.578 1.922 30 10 IDEE CCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1455068622 RNUKIRPXYZPBEH-ZBQZNYHESA-N 425.514 1.866 30 10 IDEE CC[C@@H](CN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1455939911 FOIJMNVMLUHXSC-IBGZPJMESA-N 434.562 1.186 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3ncc(Br)n3C2)c1 1457119821 SNNAKEFPWXKAIN-ZDUSSCGKSA-N 437.319 1.302 30 10 IDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1460896211 ACXVLGGKZYBDQZ-SFHVURJKSA-N 429.521 1.736 30 10 IDEE N#Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nc2n1CCOC2 1463338228 XUNZEHGMSMFRTF-INIZCTEOSA-N 429.502 1.465 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 1466132656 MYAKWBBIFSFHNQ-LAUBAEHRSA-N 445.516 1.736 30 10 IDEE CNC(=O)Cn1nc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc1C 1466599095 KVNPOBYEIOVSKQ-UHFFFAOYSA-N 431.294 1.647 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCCc3ccc(C#N)cc3)CC2=O)C1 1470790942 TVRKSTJDJSZKTI-QGZVFWFLSA-N 427.505 1.620 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)cc1 1471207174 IBMCAUZDZCVBMH-UHFFFAOYSA-N 435.546 1.134 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3cc(C#N)sc3[N+](=O)[O-])CC2)cc1 1472701056 AXEHXWBOJYBPNT-UHFFFAOYSA-N 435.531 1.937 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2nnc(C)s2)c1 1507550217 VJTLPJRDKACUDN-UHFFFAOYSA-N 445.512 2.000 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507570640 RTZXCUPNNWHXLH-UHFFFAOYSA-N 436.582 1.112 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C2CC2)CCC1)[C@@H]1CCS(=O)(=O)C1 1507623337 VNRUTCAWPYGRHB-QGZVFWFLSA-N 433.578 1.623 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1507632277 KJTVZEKAQVPYIB-MAUKXSAKSA-N 429.502 1.659 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC=C 1507659259 YNSFEOIGOOVRSM-UHFFFAOYSA-N 438.919 1.627 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1507667113 KQJKKISBBMDVSQ-KRWDZBQOSA-N 428.537 1.997 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507686907 IHSQLJPKDWVBPP-INIZCTEOSA-N 425.459 1.791 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnn(CC)c2)CC1 1507720539 IFFQFOALVMXQNA-UHFFFAOYSA-N 435.532 1.982 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](OC)C(C)(C)C)CC1 1507723470 JLPOFLSBAWIBAH-GOSISDBHSA-N 428.537 1.822 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507732156 TVMBTPCWCIEWBC-LEWJYISDSA-N 429.613 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cnccc2OC)CC1 1507740409 SKXUIXWRJYPTNG-UHFFFAOYSA-N 445.527 1.682 30 10 IDEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507783082 DAUUVKBGAJQMBF-GFCCVEGCSA-N 449.284 1.140 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1508058334 XLSJOSWIRWVLLI-HUUCEWRRSA-N 430.509 1.559 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(C)c2C)CC1 1508080413 OBYBHOKAMGCGPC-UHFFFAOYSA-N 432.532 1.981 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CCO1 1508374700 IDPIJVMXTJRFAP-IBGZPJMESA-N 426.521 1.973 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1518766065 PPCKDSACRWGHDH-QGZVFWFLSA-N 430.484 1.805 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC(C)(C)O)c1 1539037906 IYECEQISDXORIY-UHFFFAOYSA-N 438.532 1.731 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1539093990 ITBJGDOQWWDUSI-HNNXBMFYSA-N 431.566 1.397 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1539203002 MMKAJNIKMXJGAG-JXFKEZNVSA-N 439.651 1.640 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539264156 WSCSWFUOEJFNHQ-AQNXPRMDSA-N 445.589 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN2CC)CC1 1539484140 DOYHAWULYFYRKU-NRFANRHFSA-N 435.576 1.714 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1 1539540461 PSNCANQJMKJYEQ-DYESRHJHSA-N 430.530 1.756 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539758107 HCCXEONCGGQJLU-NRFANRHFSA-N 446.577 1.825 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1540020414 URWDWHNIPNIIGQ-INIZCTEOSA-N 427.509 1.481 30 10 IDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1540074455 YUYRSLITOZUSOV-QFBILLFUSA-N 427.505 1.908 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(c4cnccn4)CC3)C2)C1 1540116120 WPHLNWGSRRGVIS-JQHMZKTJSA-N 426.521 1.912 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1540868886 VKNRQHKPQHCRCH-UHFFFAOYSA-N 435.536 1.088 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2)C1 1540883488 AOSLUIBWVFUNGF-OAGGEKHMSA-N 429.612 1.955 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 1542273377 NGKJCBXVHQMWPD-UHFFFAOYSA-N 446.550 1.971 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1545061814 WLEGGCZQGFVZDI-IAGOWNOFSA-N 440.504 1.201 30 10 IDEE CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1547790522 FIOYWDGCUIFAKS-QGZVFWFLSA-N 441.492 1.799 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1552871962 YCHKDZICZXNHAA-FPOVZHCZSA-N 440.548 1.890 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1554420183 AIDWEXMDEIQRMY-SFHVURJKSA-N 433.520 1.540 30 10 IDEE COC1(C(F)(F)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)CCOCC1 1554676889 HNEVJBJADDHAPL-OAHLLOKOSA-N 440.495 1.970 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)s1 1558221010 CAZXULANGGHMCM-GJZGRUSLSA-N 430.548 1.134 30 10 IDEE CC(C)(CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H]1COCC12OCCO2 1564905756 CSDBCSCZCHGOSW-LJQANCHMSA-N 432.496 1.945 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1587615269 SZGXQMZDBAVAQA-PDDLGQBUSA-N 425.537 1.463 30 10 IDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1587635164 BUWILJLYPZXMBG-LBPRGKRZSA-N 426.470 1.367 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588053541 FNEZSMBZSMWGLR-DLBZAZTESA-N 433.578 1.826 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)C 1588574514 KVHUHAQXPZYGQW-UHFFFAOYSA-N 432.912 1.036 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1589078208 JOWUBCOFRWVNME-UHFFFAOYSA-N 443.602 1.599 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1593740841 GBQYFDHJQGBRFU-RBUKOAKNSA-N 432.569 1.371 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1594732488 DZQYVZSWQDKDGY-UONOGXRCSA-N 449.499 1.651 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1595134234 WJLDYRBAIVHDEN-MRXNPFEDSA-N 436.513 1.110 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C#N)C1 1595208788 ASIFAXOTXXPYRT-BBRMVZONSA-N 447.966 1.184 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cccnn2)CC1 1595562344 VUAFZFKTHOLQSW-UHFFFAOYSA-N 439.549 1.053 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC)C1 1595722984 PNWOSGACHSUCLQ-ROUUACIJSA-N 447.561 1.804 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(O)CCC4(CC3)OCCO4)C2)C1 1596758251 ANIFIKRPFVTNLU-BQIYRTECSA-N 449.548 1.938 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 1598099468 MSNOUTCKFLSSLU-INIZCTEOSA-N 430.509 1.245 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1609766353 BRBOAYSZRTZJPC-FQEVSTJZSA-N 448.531 1.833 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)COc1cccc(Br)c1C#N 1617365422 PSOSHMQFARMEDQ-RISCZKNCSA-N 430.324 1.534 30 10 IDEE C#CC1(O)CN(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)C1 1620645543 AMMNWEGJYGANQA-LDADJPATSA-N 441.553 1.817 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CNC(=O)Cc4ccc(O)cc4)CC3)n[nH]2)cc1 1632252672 BGQRMYCNOXYACF-UHFFFAOYSA-N 444.495 1.661 30 10 IDEE C=C(C)CN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1632863217 REGCGRNDNYTEFQ-UHFFFAOYSA-N 427.592 1.664 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)s1 1634121951 DVBFHTKKTOOHFQ-UHFFFAOYSA-N 443.572 1.443 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)cc1 1635015466 DQLMTHQLECLIMX-SFHVURJKSA-N 433.530 1.825 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@]3(CO)CCc4ccccc43)C2=O)cc1 1639705296 VDZSJHLEEJUJDE-RDPSFJRHSA-N 432.480 1.756 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1654782394 KQCMLGQVJRZIND-UHFFFAOYSA-N 427.501 1.638 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@@H](C)O1 1655064189 IMKPODIHWRVPQS-GUXCAODWSA-N 444.532 1.618 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@H]1C(=O)OC 1655079873 PIGPTFCJOYMHCS-RTBURBONSA-N 438.484 1.798 30 10 IDEE CCOC(=O)c1c(NC(=O)NC2CCN(C(=O)CCOC)CC2)c(C#N)cn1CCOC 1670537173 CTJXNRCLIHILMG-UHFFFAOYSA-N 449.508 1.332 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2=O)cc1 1672353481 QKPMFTZEDCEBPO-FGZHOGPDSA-N 448.527 1.254 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1 1683513411 GMBKMJQCHPMTSX-INIZCTEOSA-N 427.486 1.020 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCCc3nnc(S)n3C3CC3)C2=O)cc1 1686083383 ADPSJIHOQADPCT-INIZCTEOSA-N 425.518 1.811 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1689961180 NRPSFSGGFVUYBG-UHFFFAOYSA-N 433.516 1.661 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689980835 YBWIDTHWGOTNMC-STQMWFEESA-N 435.472 1.097 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1689986532 RWTGLYHJYJIRMX-INIZCTEOSA-N 442.501 1.150 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1689989744 IFZFJVOJCICZPC-OALUTQOASA-N 444.557 1.856 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2oc(CC)nc2C)CC1 1690146666 TXESXDHURBEEFC-KRWDZBQOSA-N 426.521 1.655 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1690642360 KZVOSKRDOUQIFR-KURKYZTESA-N 429.569 1.232 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1690660795 OLNRVVUWHVCRQN-HOTGVXAUSA-N 444.511 1.951 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690722277 CWJQDANZPYYXRT-KRWDZBQOSA-N 434.566 1.033 30 10 IDEE CN(C)c1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1696608868 BHJWETUNGZQNCR-SJLPKXTDSA-N 430.534 1.023 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1697929137 HUZLPXKQHNJMLS-NZQKXSOJSA-N 449.515 1.972 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1705580877 SBAWSIKQGIFNLG-UHFFFAOYSA-N 431.500 1.272 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1705707192 GOJIDKZNOGHNBC-YDHSSHFGSA-N 447.580 1.874 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705894482 AHEBRJJUOSNJKR-WCJKSRRJSA-N 448.568 1.271 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(OC)C1 1705896137 CJKDYINHUWPELE-NRFANRHFSA-N 447.561 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705930517 PJLQZBHXIKPSTE-MRXNPFEDSA-N 444.565 1.379 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1705946205 BORNFWFMURQMCK-MRXNPFEDSA-N 449.606 1.216 30 10 IDEE Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1707912527 XDQDLXPPKDJOCX-FUHWJXTLSA-N 425.537 1.916 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCOCC1 1722276688 FUMQTVNGHGARNT-HNNXBMFYSA-N 446.577 1.546 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722321378 DLFONQBYFNSGBG-QGZVFWFLSA-N 446.552 1.657 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1722363601 GONPMNZKWFBYNW-RXVVDRJESA-N 438.594 1.993 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722382265 XMFNLSPENIJDMR-YADHBBJMSA-N 446.555 1.684 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C)COC)CC1 1722438119 MPIIEEQSFHBPCK-QGZVFWFLSA-N 435.532 1.230 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722507899 QKJYEBTXPRWXRO-XYJFISCASA-N 449.581 1.130 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1722527293 FSACYQQCKBFPOO-SFHVURJKSA-N 429.525 1.209 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1722688761 LFAFKZGDDWVADF-MRXNPFEDSA-N 433.516 1.771 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNc2ccccn2)CCOC1 1723692493 PANIELFSYSQSAG-AVRDEDQJSA-N 441.536 1.945 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C[C@@H]1N1CCOCC1 1726725063 YQBQILWVTKWUPC-XLIONFOSSA-N 440.548 1.657 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1729433169 QOZBZSICKMBMBK-FQEVSTJZSA-N 437.504 1.904 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1730924234 ISHPHRQHSYEOTC-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCS(=O)(=O)CC1 1740543042 HUTLVTHNFNGICH-HNNXBMFYSA-N 430.530 1.999 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1740547953 CEFPLUFFJMXIOF-VQIMIIECSA-N 447.561 1.920 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1740572095 YXPYUPNFLILYDG-MRXNPFEDSA-N 434.500 1.995 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740618192 DQZISSIMBDTZJB-SJLPKXTDSA-N 447.561 1.194 30 10 IDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740627610 RICJGKXCYALGPZ-VQIMIIECSA-N 446.529 1.454 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1740640296 JZXUXCDDDMRNHE-LJQANCHMSA-N 439.541 1.003 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1740657650 VDKVKUIVBCMKAJ-IBGZPJMESA-N 442.589 1.852 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCNS(C)(=O)=O 1740658613 OQORIPFKSUBCAX-UHFFFAOYSA-N 429.546 1.486 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1740661827 KERZDMISHUGZHR-CQSZACIVSA-N 440.570 1.215 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CN2CCCC2)CC1 1740706783 CMHQJMQUDSNSGB-HXUWFJFHSA-N 449.603 1.962 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1741801196 YIESXNNSBYHJMZ-JFIYKMOQSA-N 444.565 1.678 30 10 IDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1)OC 1744123615 BAHYIYUTXJMPOT-FQEVSTJZSA-N 439.564 1.888 30 10 IDEE CN(C[C@@H]1CC=CCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1747824334 TUKWMNZDKBTJFR-BSBNDGSWSA-N 436.520 1.998 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1747848820 CLJXPFQHWHNQEP-LJQANCHMSA-N 438.532 1.928 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CCOCC2)CC1=O 1748061831 MOPMNMBDNRIMMQ-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN(CC)S(C)(=O)=O 1748638205 KRUWZNINZWOHTJ-OAHLLOKOSA-N 433.538 1.055 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1748706947 WBVFSVPAFKFISV-XLIONFOSSA-N 436.520 1.964 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1748719441 XZKZUXOGDGDBQR-UGNRZPKXSA-N 436.578 1.756 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1748750248 BGZPWRWJYYGOFW-FCHUYYIVSA-N 444.624 1.817 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748859498 UFMBJAITAMLOOQ-WIYYLYMNSA-N 449.511 1.358 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1748977863 KQVJUPFSLVLKKP-UXHICEINSA-N 441.580 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccco2)CC1 1749009284 HHTJSQNUQJAEHU-VGSWGCGISA-N 427.505 1.249 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1749009939 MZNPKESYOFXIMR-IPMKNSEASA-N 431.537 1.025 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1749053228 DIFNRRRIFNJNIU-RZQQEMMASA-N 431.566 1.340 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749133812 QKJLOPCMQOBHJO-DSKINZAPSA-N 443.523 1.940 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749456933 NKZVCGZAETYFBQ-FQEVSTJZSA-N 446.596 1.509 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749732095 PIUHUQLXQRGBGK-ZACQAIPSSA-N 437.566 1.368 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(C)=O)C1 1749738797 XYERVRXYLRUFGT-FQEVSTJZSA-N 445.589 1.769 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1751094321 HYMVVRPZOUWWOC-MAUKXSAKSA-N 439.520 1.174 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@]2(CCOC2)O1 1752313069 VJTMNDXFWJYZDZ-JPYJTQIMSA-N 440.548 1.779 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@@](C)=O)cc1 1760225131 IPFBYNYCIMETOG-WQIZZMQYSA-N 437.591 1.275 30 10 IDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760305230 WZJPNDQVJMFWBZ-AWEZNQCLSA-N 446.309 1.721 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760306592 GHAHWAUGWPQSAX-AWEZNQCLSA-N 439.358 1.833 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760520016 XUEHZORKRHNOKX-OAHLLOKOSA-N 442.545 1.665 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 1760520054 ASLASTOKFWHTSZ-UHFFFAOYSA-N 442.539 1.935 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1C(C)(C)C 1760528882 PLDNAOMVLMWPRK-KRWDZBQOSA-N 445.612 1.447 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCOCC2)C1 1760545853 CRXCEODAZNYQNL-IBGZPJMESA-N 426.521 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1760549184 YFIFLKBKXBMAMH-DAYGRLMNSA-N 445.611 1.258 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760556175 WMTXJUHJMHMYIR-INIZCTEOSA-N 447.517 1.854 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760565896 HFHWFVLFFMGVAM-HOTGVXAUSA-N 436.607 1.827 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1760574298 HNBNMHTWECWBKY-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)CC1CC1 1760729919 WUJFIIOOYSQQSY-UHFFFAOYSA-N 444.561 1.935 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1761360245 IWOPBJGENIXPHU-QAPCUYQASA-N 447.503 1.857 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1767008622 XLQVBGUUYIVTFM-UHFFFAOYSA-N 448.535 1.612 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1767232771 JMTACJGKTRNEFB-QFIPXVFZSA-N 436.520 1.147 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1770049645 FGQDGMRZLFNZFI-HCXYKTFWSA-N 436.557 1.230 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1770741085 VSRRYSJUBYIFRZ-SJORKVTESA-N 430.415 1.882 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1771111258 DQJVLQLCYIGIPD-KRWDZBQOSA-N 441.492 1.822 30 10 IDEE C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)OP(=O)(O)O 1848436694 GDOMASQXEWHBDG-XSQBMUMNSA-N 444.392 1.724 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C#N)cc1 1848849768 PKLVANCORINZCD-GOSISDBHSA-N 435.546 1.736 30 10 IDEE O=C(NCC#CCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1850335306 XQDIMOGRLZQTNZ-OAHLLOKOSA-N 445.994 1.254 30 10 IDEE Cc1c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nnn1Cc1ccccc1 1851552559 JOXJQHUQBWHGEQ-UHFFFAOYSA-N 431.500 1.881 30 10 IDEE Cn1ncc(C#N)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1851996858 MDVIJFGJKHZREZ-AWEZNQCLSA-N 438.307 1.846 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C(=O)C2)C1 1853667011 PGVIHDMOEKBPSB-APWZRJJASA-N 430.936 1.624 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2=O)cc1 1853878181 ONAQPLYDDBMDHE-UHFFFAOYSA-N 433.436 1.580 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1857373817 SAOVJAVROOPEIW-IBGZPJMESA-N 433.530 1.612 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1858336674 VNFFYWWOGUZXMO-OAHLLOKOSA-N 449.510 1.071 30 10 IDEE C=CCNC(=O)[C@@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861612095 WKVFNQPDZYJHSM-GDBMZVCRSA-N 433.530 1.366 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(C)c1=O 1862023173 QXKVPVOJWCMRRR-OAQYLSRUSA-N 437.496 1.852 30 10 IDEE Cc1ccc(-n2nc(N3CCN(CCO)CC3)nc2NC(=O)c2cccc(C#N)c2)cc1 1870011892 ITQCUNNOCSWDJD-UHFFFAOYSA-N 431.500 1.814 30 10 IDEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1CCC(CO)CC1 1870519331 MNZFBOLUTRYPGC-UHFFFAOYSA-N 439.556 1.976 30 10 IDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2060402756 QUVGKPAFOLDOEY-AWEZNQCLSA-N 449.470 1.830 30 10 IDEE C=CCN(CCC(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2213498300 KWXSXWZRZQZZQX-INMHGKMJSA-N 443.541 1.257 30 10 IDEE Cc1sc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C#CCN)c1C 2229365331 OICPQCYOHVHGRE-UHFFFAOYSA-N 431.539 1.391 30 10 IDEE C=C(CS(=O)(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247953008 QTEKSHITCSVAEE-UHFFFAOYSA-N 442.347 1.786 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545061 KHSZZRBELMBIFQ-LSDHHAIUSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2255631937 GNTCSGQILJZQGY-KBPBESRZSA-N 432.330 1.648 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255879385 OJVMHHKEPIUZNG-STQMWFEESA-N 430.314 1.371 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2256068983 HOMSQSYCOMHMOW-UHFFFAOYSA-N 430.314 1.469 30 10 IDEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256625184 SPNOEZNHRNBWFN-QGZVFWFLSA-N 434.342 1.830 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2267272202 XMJSWVOAZDBOOP-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267586051 FBAZVJPCRKXSIA-HSZRJFAPSA-N 438.337 1.143 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)CC(=O)O)n1 2269058441 SUUGLRIFQSJAOC-INIZCTEOSA-N 443.309 1.509 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2317676332 QNGAHVFZBDELAL-CQSZACIVSA-N 436.318 1.045 30 10 IDEE CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C\c2ccncc2)c(=O)n1CCCN1CCOCC1 12622746 NCSMGDKOIJDDOO-PFNYNNSUSA-N 440.569 1.145 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 17066292 GMFRIXHDHPSMFQ-UHFFFAOYSA-N 428.470 1.503 30 10 IDEE COc1ccccc1[C@@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N 72444264 BHBIGWAGDLNQMN-ZBFHGGJFSA-N 437.456 1.346 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 109934472 OYYFBUNUNBKXJC-NZMUHZMNSA-N 436.493 1.205 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 253622132 FDAJXTSYUNVCBC-QZTJIDSGSA-N 437.566 1.385 30 10 IDEE CN(C)c1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 254850726 CIAJMIKOQVSIKU-UHFFFAOYSA-N 431.500 1.994 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 426765463 OMCDFEORXAVYIP-IBGZPJMESA-N 439.589 1.880 30 10 IDEE CSc1nc(O)c(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1C#N 439894574 DCPNENNNKBXZHH-TXEJJXNPSA-N 430.490 1.465 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)ccc1Cl 462610834 DGSXIKIDJXMZSO-UHFFFAOYSA-N 430.895 1.036 30 10 IDEE COc1cnccc1N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 474661667 OEGCPDYVDOALNG-IBGZPJMESA-N 434.500 1.989 30 10 IDEE N#Cc1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1Br 487969197 PARHAALTIROTMJ-UHFFFAOYSA-N 436.310 1.329 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)C3CN(C(=O)c4ccccc4)C3)C2=O)cc1 503801295 SPDFAGNBJGFAQZ-HXUWFJFHSA-N 438.509 1.498 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](O)(C(F)(F)F)C1 508724675 TXUBYLPOBZUZSA-QGZVFWFLSA-N 445.467 1.885 30 10 IDEE CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 522297768 ATTPYNJELUCLEU-SJLPKXTDSA-N 447.561 1.221 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(OCC(F)F)c2)CC1 533888177 MCSPDBXOZUVJJX-UHFFFAOYSA-N 436.440 1.744 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@@H]3CCCCO3)CC2)c1 549660210 NQHLNULIHYMXGH-RBUKOAKNSA-N 439.520 1.528 30 10 IDEE COCC[C@@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 554774421 KCTFDEGJHABMMG-INIZCTEOSA-N 446.323 1.237 30 10 IDEE COCCCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(C)c1=O 555428078 FMZNFUVDRYTNDN-UHFFFAOYSA-N 438.509 1.074 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 603799703 RWGCAMVDYHYJEQ-HNNXBMFYSA-N 445.491 1.492 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1C1CC1 732664415 IMPXYWXBFXSENQ-MRXNPFEDSA-N 444.479 1.963 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCc3ccccn3)c2=O)cn1 735069469 VXEPBWYVNZOXBE-UHFFFAOYSA-N 435.553 1.882 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3scnc3C)c2=O)cn1 743726770 UODNGZLVRMLKJQ-UHFFFAOYSA-N 425.539 1.753 30 10 IDEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCOC2)C1=O 751681801 DKNKHLCSEYVSCS-SJLPKXTDSA-N 429.546 1.737 30 10 IDEE Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 756039849 GUVATLIUUFMNGZ-HMWBCQRISA-N 446.305 1.925 30 10 IDEE C#C[C@]1(O)CCN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 757468504 ONVNTQALZJTHNL-BWKNWUBXSA-N 448.475 1.965 30 10 IDEE C#CCN(C(=O)NCc1cc(Br)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774189083 XYVWQCVMKCKHPV-ZDUSSCGKSA-N 445.335 1.798 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 774265112 IGHTWDIZBHGEKR-KRWDZBQOSA-N 433.578 1.473 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786689741 XAPXHZSUHCPGCU-AWEZNQCLSA-N 429.951 1.842 30 10 IDEE N#C[C@H](C(=O)Cn1cc(Br)ccc1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787058467 JGWWNGQVFHJADG-CQSZACIVSA-N 433.218 1.544 30 10 IDEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NC(=O)Cc2ccc(OCC#N)cc2)CC1 792086922 SPPYLBCTAYGJKD-UHFFFAOYSA-N 437.518 1.977 30 10 IDEE N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)ccn1 795970518 MTGBYSJBOBRJDI-NTUHNPAUSA-N 440.481 1.255 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H]2CSC2(C)C)C1=O 802719777 AAUMYUJWGKEYKN-XLXLJDDRSA-N 449.646 1.886 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 804162750 QXPWNZOTUOKLGI-DYVFJYSZSA-N 434.468 1.454 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCO3)n2C[C@H]2CCCCO2)c1 812430247 IEAHRKLLFJGYSI-WOJBJXKFSA-N 439.516 1.991 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@H](C)c1cccs1 813564506 DCMIRXWIWRKRJU-CBWPIXGOSA-N 439.607 1.312 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCN(c3ncccc3C#N)CC2)C1 816483052 CWNBNQXTXZOVPZ-GOSISDBHSA-N 442.564 1.839 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCc2ccc(C#N)cc2)o1 1131105345 HJCGCYQVROAYCU-KRWDZBQOSA-N 445.497 1.840 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(N3CCCS3(=O)=O)CC2)CC1 1142138439 AMEWZZUFYMLXAW-UHFFFAOYSA-N 439.578 1.663 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1163263313 GNVQZOWSTPWAAV-JLTOFOAXSA-N 436.497 1.517 30 10 IDEE COc1c(C)[nH]cc(CN(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1=O 1175078581 CLZWMRWGUWTZHN-FQEVSTJZSA-N 441.507 1.672 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NCC(C)C)CC2)s1 1179558701 YBBKJVBLSZJPHQ-UHFFFAOYSA-N 427.592 1.766 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1286297395 WFLGATYLBUXYRZ-NVXWUHKLSA-N 445.545 1.077 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)OC)c1 1286461768 WZULWZFOKHOWCT-UHFFFAOYSA-N 440.504 1.827 30 10 IDEE C#CCN(CCOC)c1nnc(CC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1286467629 ZOKAOFQKMUZQAK-FGTMMUONSA-N 433.553 1.951 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2CCC(OC)CC2)CC1 1286493216 MBHXHIKIHPCNHT-SYYJFZTOSA-N 429.565 1.953 30 10 IDEE C=C(C)COCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286613581 BVHRZOXTGGHNMF-FCHUYYIVSA-N 435.569 1.874 30 10 IDEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1286635883 FHSITUXTSFKKOM-MRXNPFEDSA-N 435.912 1.960 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1286785169 GTLUPKYORMZUKF-UHFFFAOYSA-N 437.430 1.370 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H](C)C2)C1 1286801373 YCYTVSZYDVZZHA-OKZBNKHCSA-N 440.614 1.402 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OCC)C1 1286814181 MMDSVDMJJNEXPU-MRXNPFEDSA-N 448.549 1.532 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1288517557 DGACSBKJBFYQRO-CYBMUJFWSA-N 436.538 1.957 30 10 IDEE Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290872255 WJFKRRGKMVMGNX-IUDBQGPFSA-N 427.431 1.186 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1292889943 QSWHHVBNDNGMEN-SFHVURJKSA-N 433.553 1.247 30 10 IDEE CCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1293116847 QEHXFXZHHKNKOQ-BZROSYFNSA-N 443.552 1.056 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1300404074 VMDPGQNWIVBBTP-GOSISDBHSA-N 444.561 1.366 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300500717 CJZISNJBUFUYAU-WIYYLYMNSA-N 436.578 1.443 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(F)ccc2F)CC1 1300722460 JZQZYYWKPHGSFF-SFHVURJKSA-N 442.470 1.522 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC(=C)C 1300805959 MAVQMASRNLBHCO-YLJYHZDGSA-N 437.566 1.196 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1 1301568307 QUIUFFXJGQUMBJ-AWEZNQCLSA-N 449.499 1.894 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1302478144 DHUWRJMTEGMLMV-UHFFFAOYSA-N 440.476 1.180 30 10 IDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)n(C)n1 1304725577 FLVRAPCWZPLHAP-OAHLLOKOSA-N 442.549 1.487 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCC(C#N)(C(=O)OC)CC2)c1 1307773903 AWUULAOJYUPQPB-UHFFFAOYSA-N 436.534 1.434 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)nn3cc(Br)cnc23)C1=O 1309444246 HHBXTJRYHCQGJF-LBPRGKRZSA-N 428.312 1.208 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OCC 1309807517 RMRNHEVEATUVJC-LBPRGKRZSA-N 437.287 1.863 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCCC2)cc1 1310131315 MRMUOXQHNQNVDD-UHFFFAOYSA-N 430.552 1.040 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C[C@H]1CS(=O)(=O)C2 1312316011 MZCZVRAVJUKOOU-PZROIBLQSA-N 440.884 1.164 30 10 IDEE CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313478539 HAFVNDCUPVVOLB-UHFFFAOYSA-N 432.488 1.791 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCO2)CCN1C1CC1 1335739696 LCOWYMYMUXCZGI-ZWKOTPCHSA-N 436.520 1.671 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358892735 GCBGHINKEUZPRC-IHPCNDPISA-N 442.589 1.926 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCC(=O)N1CCOCC1 1358899942 XVASNVVMTSWJTG-GOSISDBHSA-N 441.532 1.963 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1358960194 ZFLCKXMNPSNQOG-GHTZIAJQSA-N 432.546 1.359 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1358960472 FPGLLYIAWXCRJK-KRWDZBQOSA-N 442.570 1.974 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCCO1 1358976689 NGDHPFOCOQBDIZ-QGZVFWFLSA-N 425.489 1.664 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1358977225 HPUAVOSTZZVGQC-MSOLQXFVSA-N 440.548 1.949 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCCC 1358978509 ORWAAOWONPQUHM-UHFFFAOYSA-N 442.564 1.992 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCC1 1359020197 UXANIPDKAXEEBG-UHFFFAOYSA-N 432.546 1.740 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN(C)CCOC)CC1 1359032504 QRAANGVRYKOCQG-UHFFFAOYSA-N 431.972 1.717 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359126610 UEGMZUULQKVUMA-UHFFFAOYSA-N 446.556 1.413 30 10 IDEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359135666 KXAQQJHQTKAADE-SFHVURJKSA-N 426.521 1.972 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCS(C)(=O)=O 1359146190 PWXHFKABBUOOEZ-UHFFFAOYSA-N 436.929 1.544 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)C(C)C)CC1 1359164877 BWDZDXBKWXDTKD-KRWDZBQOSA-N 426.587 1.108 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359215752 ITRBCHTWPQVMCE-AEFFLSMTSA-N 434.566 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359297724 ZYBMUVYUHUDXSW-UHFFFAOYSA-N 446.515 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC[C@H]1C 1359328296 ZEIBZNXRUPPDFX-OAHLLOKOSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCOC1 1359329621 PAZQUCGFFUHLII-HNNXBMFYSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cncn2)C1 1359333637 FCRZZPLRWZVLFC-GOSISDBHSA-N 442.549 1.298 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359333762 IQWRJRFQPSBKAL-VQIMIIECSA-N 431.562 1.868 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)Nc1cnn(CCN2CCOCC2)c1 1360444536 CFHZONYJJDTOJY-UHFFFAOYSA-N 434.294 1.867 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1360486877 HZZPWRZGWPXZSW-QFBILLFUSA-N 448.531 1.917 30 10 IDEE Cn1nc2c(c1C(=O)N1CCN([C@@H](C#N)c3cccc(Cl)c3)CC1)CS(=O)(=O)CC2 1448840121 VBVUPQIRRJGVSO-SFHVURJKSA-N 447.948 1.567 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(-c3ccccc3)nc3ccccc32)CC1 1455115649 QFMDUOJOVRELJX-UHFFFAOYSA-N 437.525 1.315 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cn(C2CC2)c1=O 1457956878 XPDYJRMELPCVTB-LBPRGKRZSA-N 443.305 1.958 30 10 IDEE COC(=O)c1ccc(OC)cc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1463488533 DRDGYGDKAMQWDG-DOMZBBRYSA-N 439.490 1.519 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1469873078 ZIXBZZSGWSWUQT-FQEVSTJZSA-N 444.513 1.329 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)s1 1472259271 WPUJKPRUWWAMGM-CYBMUJFWSA-N 438.531 1.623 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1498107477 AJLQGNMCTMGLJU-OALUTQOASA-N 427.505 1.954 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1499302821 YNERIKDRHTYXLG-UXPDKRSESA-N 439.476 1.088 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1504605620 QDWVEUXTWGEIHK-FGTMMUONSA-N 428.468 1.663 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCSCCCO)cc1 1505319662 GMLGPGBIXLIOEA-UHFFFAOYSA-N 435.575 1.413 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1cnn(C)n1 1507617033 QKQVJOOVYKRWGL-KRWDZBQOSA-N 444.540 1.417 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507726396 IJOFFXJNDOVSRY-JPYJTQIMSA-N 436.516 1.024 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1507844076 BRXPXLHOOARJQT-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1507849292 VZFDATXJGUKWPF-QFIPXVFZSA-N 443.552 1.640 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1507954852 QRBWWFMGACUTIM-VQIMIIECSA-N 441.623 1.911 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCO[C@H]1C 1508039681 PGGKBVLFVQOLDT-XWFZLUIHSA-N 430.505 1.969 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1508058332 XLSJOSWIRWVLLI-CABCVRRESA-N 430.509 1.559 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508070792 CWRUOULWWWFLGN-INIZCTEOSA-N 448.568 1.273 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C 1508094408 XSAKABVKXWNMNN-CVEARBPZSA-N 434.541 1.877 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@H](C3CCC3)C2)nnc1[C@@]1(OCC)CCOC1 1508096676 BLXJZJDKUNSDAK-XMSQKQJNSA-N 433.553 1.485 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)C1 1508123757 JSIJDRIPGFCFAP-MJGOQNOKSA-N 437.610 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508141645 NQUKZAXFIROGQI-ZWKOTPCHSA-N 438.594 1.904 30 10 IDEE CN(CC1CC(F)C1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517201213 HQMGDYPXKHHYDO-UXYGLAQJSA-N 432.500 1.883 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1=O 1517406049 LHDNBZYFCYAZDP-DEOSSOPVSA-N 449.559 1.990 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1 1519567831 UUOBLSSFQWAWRV-SFHVURJKSA-N 432.480 1.758 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCOc2ncccc2F)c1 1521082076 AEBSZFQPMGKZCV-UHFFFAOYSA-N 426.477 1.999 30 10 IDEE C#Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)nc1 1533374734 YJTYJPJVUYKESM-UHFFFAOYSA-N 427.505 1.493 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3snc(C)c3C#N)cc2)CC1 1538166001 BFZWZVSPOKEKBT-UHFFFAOYSA-N 433.515 1.428 30 10 IDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1539052093 LGWDGENEDXLLBR-UHFFFAOYSA-N 426.477 1.952 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1539155143 SXIZTMZQUBOIGL-JOCHJYFZSA-N 427.505 1.301 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1539171916 PKROUAJBAQFVNL-KRWDZBQOSA-N 436.516 1.940 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539220925 WUVPDFATQVSKRT-IRXDYDNUSA-N 437.610 1.798 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1539224882 JPPVIDWVZMDIMW-SFHVURJKSA-N 447.561 1.820 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539225897 SATZVAGZWYCCDF-QUCCMNQESA-N 442.589 1.375 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCCC2(C)C)CC1 1539477801 ZDLIGQJQOXRJEP-UZUQRXQVSA-N 442.564 1.136 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(N)=O)CC1 1539606227 ACPOAOIJNHFHJP-UHFFFAOYSA-N 425.331 1.401 30 10 IDEE C=CCSCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1540922732 WVGSKJLOWRHWDV-YJBOKZPZSA-N 430.596 1.473 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1541088536 IOQALMQJYLPEFB-UWJYYQICSA-N 437.548 1.500 30 10 IDEE CN(c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1552920349 CPGINCNUKOVOPW-UHFFFAOYSA-N 441.517 1.713 30 10 IDEE CN(CC(F)(F)F)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554140712 LHTNOVISDUEASP-GASGDFKYSA-N 428.415 1.697 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1554349707 GEFNXCOLYSFNMU-ZBFHGGJFSA-N 439.442 1.275 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)C[C@H]1O 1554546144 SFIZCRHMOUAFEL-LONFEIEESA-N 439.516 1.728 30 10 IDEE COc1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)cc(OC)c1OC 1554739431 ZOONEGKMGBYUEO-MRXNPFEDSA-N 440.504 1.989 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(CN(C)C)cs1 1558403595 NZMTZYXKOWNTLF-INIZCTEOSA-N 449.602 1.974 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 1559945911 GOCFEXDORHUMAW-FUPPJEDESA-N 444.551 1.834 30 10 IDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 1561531407 HDKBPKIYDZPQPA-LJQANCHMSA-N 445.472 1.492 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1cc[nH]n1 1566386107 ZICBKOWMJZFGSS-UHFFFAOYSA-N 443.504 1.537 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1570505415 DLGOTPGHPJIOJC-BQJWPVKWSA-N 428.551 1.364 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN(CC)S(C)(=O)=O 1587603120 GZMSDBKATDUNTC-INIZCTEOSA-N 447.561 1.846 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1588054219 LYABJIWRCMKZJV-KRWDZBQOSA-N 426.608 1.678 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588054296 NCPJVFQRQFZDHI-LJQANCHMSA-N 441.557 1.710 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1588272083 UUWMYDLBZXWCNW-UHFFFAOYSA-N 431.566 1.531 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1588581263 MCGKUQDFDKCXNM-COPCDDAFSA-N 434.537 1.354 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NCC 1588629030 UKKHJSWKRJORBD-UHFFFAOYSA-N 430.509 1.254 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SCC)c2)CC1 1588732814 GOFKTRRCTNMDGW-UHFFFAOYSA-N 439.589 1.825 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588967838 BRNSBMDSZNQAAH-QRVBRYPASA-N 431.537 1.147 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1589007983 RLKGEKUUBAAZRG-UHFFFAOYSA-N 433.559 1.041 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1593689910 FLJOZHHAHOJWCA-UHFFFAOYSA-N 440.552 1.532 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CNC(C)=O)CC1 1595562167 PJONHEZLWFKEPT-UHFFFAOYSA-N 431.566 1.289 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)CC)C1 1595714617 OQHBHKTUPVTORQ-CQSZACIVSA-N 437.522 1.222 30 10 IDEE C#CCC1(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCOCC1 1596538966 MKLQMKHSADKJHU-UHFFFAOYSA-N 434.436 1.942 30 10 IDEE COC(=O)C1(C2(O)CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)CCC1 1607272240 NVEDWBMFEXKJMC-UHFFFAOYSA-N 449.529 1.189 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1611527043 BVIYQDGYURGGCQ-RTBURBONSA-N 441.532 1.721 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1612911213 LYCXJIVWRKIJRH-BUWYAKEBSA-N 447.499 1.957 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1617173944 CFXXDSYTHKAQCK-IBGZPJMESA-N 444.561 1.858 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(n4cnnc4O)CC3)C2)C1 1618611907 FTUZRHYLUIDBGT-DBWCEAHUSA-N 430.509 1.934 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 1622498825 XJJWRAULEAFFIB-UHFFFAOYSA-N 425.576 1.508 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)c1 1624755332 HFNCXTHROAAGJZ-UHFFFAOYSA-N 436.440 1.424 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1628831709 JCWITHOOVZQBDJ-SFHVURJKSA-N 427.505 1.674 30 10 IDEE C=CCN(CC(=O)OCC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1630850976 GCEFCDYMMQVXOY-OAGGEKHMSA-N 444.550 1.234 30 10 IDEE COc1ccc(I)c(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1631484434 JPYYFGVTEDUIBD-UHFFFAOYSA-N 426.170 1.072 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2C(=O)NCC(F)F)s1 1636842393 VYECEJZQBVYPNL-ZDUSSCGKSA-N 435.518 1.517 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C[C@@H](O)c1cccc(C#N)c1 1643726049 UWRNQAJQOTWRGM-JLTOFOAXSA-N 428.514 1.149 30 10 IDEE C#CCC1(NCC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CCOCC1 1644566088 CEXMIRCBBPCVBK-GHRIWEEISA-N 428.514 1.396 30 10 IDEE O=C1C[C@]2(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CCCC[C@@H]2N1 1647772512 YLNCBGYLIMYQSP-LAUBAEHRSA-N 432.546 1.603 30 10 IDEE COC(=O)c1cnc(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1653079899 REOFZKDXHHZELR-LLVKDONJSA-N 436.515 1.106 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1689853835 ZESQDUUMJBGWNS-MJGOQNOKSA-N 446.577 1.205 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689979943 JNZFPLMPCWPTHT-FICWAZMISA-N 426.608 1.720 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1689988351 NJVXLCPATOQCBO-ADKAHSJRSA-N 444.561 1.567 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1690104621 BIPGVERZKSVYQR-UHFFFAOYSA-N 434.537 1.919 30 10 IDEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690458842 KQFUSNHZGYSSJA-UHFFFAOYSA-N 425.537 1.870 30 10 IDEE Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693498068 PROBRSGBDJCKMW-HNENSFHCSA-N 445.524 1.418 30 10 IDEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1)OC 1695094549 CNQSOVHOKSOUPM-LJQANCHMSA-N 426.521 1.927 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1OC 1705477383 NFZJQSOFIQLRQR-JYJNAYRXSA-N 435.550 1.822 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705571170 XLYVGVLKCAFPIY-IBGZPJMESA-N 443.573 1.168 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1705572853 QUODTSDJXQSHPO-YTTGMZPUSA-N 446.536 1.925 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@@H](C)C1 1705613040 UVHJJNDYNTXGEY-BZSNNMDCSA-N 439.582 1.276 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)n1 1705631263 YPFWGJVPQLAUGK-KRWDZBQOSA-N 448.593 1.493 30 10 IDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N2CCOCC2)CC1 1705783931 AJZOKSIVMXQZKR-UHFFFAOYSA-N 444.561 1.531 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1705834157 FHYFPJLOHGPHJV-UONOGXRCSA-N 435.550 1.891 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705871486 MGSCRJLJUUBCRD-NRFANRHFSA-N 448.545 1.690 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1707950943 AECAOBMEGDHWRD-MRXNPFEDSA-N 425.562 1.532 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722286424 HVWJNUHJBVLPCY-HZPDHXFCSA-N 447.561 1.702 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1722363098 YXHQMMUEANGBDC-SFHVURJKSA-N 433.582 1.037 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1722428050 AZKHBWILOJAYQM-INIZCTEOSA-N 435.575 1.431 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C)N2CCCCC2)CC1 1722441070 OPFWUJMLKKPBRW-FQEVSTJZSA-N 427.597 1.420 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)C 1722494434 PWWIBPITUSHUGU-ZFWWWQNUSA-N 430.347 1.872 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722534747 QULCWKCCEXGEAW-AZUAARDMSA-N 429.569 1.818 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCN(C(C)=O)CC2)CC1 1722559022 HVWKGWPEWKHYFR-UHFFFAOYSA-N 438.536 1.246 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722586429 FJXNWSDALZBUON-UHFFFAOYSA-N 440.552 1.208 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1722723800 FRFFPMYEGKEHFS-UHFFFAOYSA-N 435.554 1.457 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1722876742 WKVGAWIVENNOSP-GRDNDAEWSA-N 430.534 1.353 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)CCO1 1726722284 GAAGMBJDBKZXBE-SFHVURJKSA-N 440.548 1.801 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1729341623 FHRVRGMGWQQPNE-INIZCTEOSA-N 441.517 1.301 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730562641 QGYZVRWLRWNMLZ-YUMLTWSLSA-N 430.509 1.171 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCO[C@H]1C 1730760328 OBQZOJRWNFUCBZ-YWZLYKJASA-N 430.465 1.760 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1NC(=O)CC1(C)C 1730762659 IUQYBMHGBFAVJL-MRXNPFEDSA-N 443.508 1.287 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)Cc1ccccc1 1740556931 GTHOGOFJDYZFBN-GOSISDBHSA-N 443.573 1.864 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1740640601 QXHCCFIZOLZYQW-KRWDZBQOSA-N 449.577 1.510 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CCCCC1 1740678552 NXMFVZYQMMQFOT-UHFFFAOYSA-N 446.596 1.537 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@@H]1C 1740680811 OKJIIGRWMZYKDE-HTAPYJJXSA-N 446.573 1.986 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1740686456 UFXUZOXHOKDKFW-GOSISDBHSA-N 445.545 1.273 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cscc2C)CC1 1740700823 JHTXTNGHSVYWFQ-UHFFFAOYSA-N 428.562 1.800 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740950951 NQYHMWOKUGRSRW-HNNXBMFYSA-N 428.541 1.226 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740960389 QLRPKPBTLZLQSK-SJLPKXTDSA-N 429.525 1.269 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCSC1(C)C 1741944085 KJYFIDRJSUGHOV-IHRRRGAJSA-N 428.584 1.149 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@]2(CCOC2)O1 1743243403 ARGLJKLAGDTNGL-FOIQADDNSA-N 431.518 1.246 30 10 IDEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1745433505 FSFCRSDRMHYMPW-IBGZPJMESA-N 425.537 1.500 30 10 IDEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)CC1=O 1745724142 HHDGJESLDZWQQJ-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE COC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1748348690 GCGRAOVCQVBNGV-IJYGLTAASA-N 445.524 1.280 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2nncn2CC)c1 1748689537 CSXGDVRRGACMPD-UHFFFAOYSA-N 449.519 1.132 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1748731925 OIUVXGYWENFZSF-OAHLLOKOSA-N 425.555 1.424 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 1748824665 GODQLKZYMDZHPY-UHFFFAOYSA-N 427.530 1.135 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1748842573 MVJXEJOCLAVNIM-HXUWFJFHSA-N 429.528 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1748896837 LYQUGSPUGVHPNB-UHFFFAOYSA-N 448.552 1.705 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(=O)N(C)Cc1ccccc1 1748962423 HNTNPOJDHLMESN-HXUWFJFHSA-N 425.533 1.917 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1749020159 NBCNBLFWLMTHCP-UHFFFAOYSA-N 443.577 1.499 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 1749427119 LPCYABGNWDGESO-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1749671209 ZSCBVSGKFNCDLT-RBUKOAKNSA-N 443.573 1.785 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749672200 SMNAZFYAKACYIQ-MRXNPFEDSA-N 430.940 1.787 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](OCc2ccccc2)C1 1749677505 BDWVAAHFKOQFBB-IBGZPJMESA-N 438.532 1.498 30 10 IDEE C[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1751302654 ABADLLCNERVWNN-OXJNMPFZSA-N 431.518 1.646 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)CCC2 1751729734 GKDANLYJHJVGCS-OAGGEKHMSA-N 434.570 1.709 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1760113157 QPQCQKPVINCAIR-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCCSC)[C@@H]1CCS(=O)(=O)C1 1760187169 ILLLQXWDORPWFY-IAGOWNOFSA-N 426.608 1.942 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760189104 NMURXESDDSXLPQ-MJGOQNOKSA-N 431.562 1.946 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1760190140 YLWDKMNTAPDUBC-OALUTQOASA-N 444.557 1.660 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1760211137 BYRQUVKHIRAPTJ-DEOSSOPVSA-N 443.592 1.628 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H]2OC)CC1 1760265062 MPUFBGNMMCOSAQ-RTBURBONSA-N 442.564 1.295 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1760281806 XNXHXDYTTLZAIB-INIZCTEOSA-N 431.591 1.374 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1760453804 JOWSBMIBDXJFIO-UHFFFAOYSA-N 440.957 1.375 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760520633 VBSPRWPMRFXRKB-QGZVFWFLSA-N 440.552 1.168 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC=C)Cc1ccccc1 1760522044 KPCDVPUTMSLJSO-SFHVURJKSA-N 429.546 1.675 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760546331 NAOSWIILTFFOER-MOPGFXCFSA-N 446.577 1.469 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760551415 FCHYTVLRAVYVNM-GOSISDBHSA-N 440.529 1.229 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1768445416 PCJLABRKWUZGHA-YGCDDZCOSA-N 438.488 1.705 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1770016768 KQCZQZXCAYBWFH-NVXWUHKLSA-N 430.509 1.868 30 10 IDEE Cn1c(=O)c2c(ncn2CC(=O)N(Cc2ccccc2)C2=CC(=O)CC(C)(C)C2)n(C)c1=O 1851506964 HGJQVLOFNJJHBR-UHFFFAOYSA-N 449.511 1.736 30 10 IDEE COCCN(CC(=O)N1C(=O)CCN([C@@H](C)CCC#N)c2ccccc21)S(C)(=O)=O 1853644235 XXNJKMDXOFIMSP-INIZCTEOSA-N 436.534 1.357 30 10 IDEE N#Cc1cccc(C(=O)N2CCCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)c1 1854097405 IZORDHKHIMYQMI-LJQANCHMSA-N 430.530 1.189 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(F)cc1 1865730227 YTRDLQJPJGUBSO-OAHLLOKOSA-N 426.448 1.118 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H](N)Cc3cnc[nH]3)sc2c1 1866031893 VTLFFYUHGIZVEH-OAHLLOKOSA-N 446.558 1.891 30 10 IDEE C=CCOc1ccccc1OCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1869926338 DIMKAUFOABRICB-UHFFFAOYSA-N 441.509 1.924 30 10 IDEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 1870107158 VWRCOVAIYXJOKW-CYBMUJFWSA-N 425.408 1.693 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)O)c(I)c1I 2060282153 DPQVCPPBMWELTK-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2248481778 QAGOSSWUOPDHBV-NWDGAFQWSA-N 436.236 1.554 30 10 IDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2255601448 GKWJFPFOMHJAAG-CHWSQXEVSA-N 435.334 1.725 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255807314 RQKQKTFTERONRL-LSDHHAIUSA-N 436.314 1.991 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(F)(F)F 2255826558 QMVSFMKLGOMRAR-LLVKDONJSA-N 448.251 1.894 30 10 IDEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255881298 ULYDEFKYBDFTEG-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256067824 UESGIJURQXOHGW-AWEZNQCLSA-N 430.314 1.681 30 10 IDEE C[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2256621885 AABFUDGMEQZVKL-OAHLLOKOSA-N 435.330 1.205 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256664094 YHOZCXBSGADIPA-HNNXBMFYSA-N 435.330 1.984 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCC#CBr)S(=O)(=O)C(C)(C)C1 2258960235 CMRPXFWJNTZNPX-LBPRGKRZSA-N 437.356 1.661 30 10 IDEE CON(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267164946 YMUYIYDEBAHJBM-HNNXBMFYSA-N 448.329 1.789 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2267531640 SZWQYXGOJNAXEM-RUYXUALKSA-N 436.365 1.888 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1 2267549283 YHAPBEUZBMCUMJ-CQSZACIVSA-N 449.361 1.634 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267612096 YHNIAARHADCGIT-NEPJUHHUSA-N 442.247 1.447 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267870813 IMDIKIMTBBIFNK-RCDICMHDSA-N 444.341 1.763 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315533028 LBCVOBPWEAJBLN-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC1(C)OB(c2csc3c2CN(S(=O)(=O)C2CC4(C2)OCCO4)CC3)OC1(C)C 2361595984 QQKOKVADEYDADI-UHFFFAOYSA-N 441.380 1.641 30 10 IDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1c(N)nnc1SCC#N 40173328 AHGVJSLHMVOFPC-LBPRGKRZSA-N 435.535 1.460 30 10 IDEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)c1C 59829882 REPJOYJTPKCNMA-FSJBWODESA-N 439.549 1.846 30 10 IDEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccco1 102542129 VYWUMZDDXLOMOV-LYHOESIGSA-N 427.413 1.942 30 10 IDEE C#CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@@H]1CCS(=O)(=O)C1 111047005 XKNWXEQWVVCLJT-CQSZACIVSA-N 441.435 1.347 30 10 IDEE C#CCn1ncc(NCCN2CCN(Cc3ccccc3)CC2)c(Br)c1=O 390905986 LNHMEFFEEIYCKM-UHFFFAOYSA-N 430.350 1.869 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 478759425 XSJLDLTZEHQBEK-SJORKVTESA-N 442.512 1.727 30 10 IDEE C=CCOC[C@@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)OC 481763781 OTSISSIMNPKHAL-CYBMUJFWSA-N 441.278 1.425 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1 505502913 IKGOYZAMKZXENF-IEBWSBKVSA-N 437.500 1.624 30 10 IDEE Cn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508772358 MBUZQZWFDWJLOC-UHFFFAOYSA-N 426.502 1.576 30 10 IDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508937356 CBDUTDJGTWMSGQ-HNNXBMFYSA-N 438.492 1.584 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@](C)(CO)c2ccc(Br)cc2)CC1 511541273 KRAWJSICNCBHFS-UYAOXDASSA-N 437.382 1.939 30 10 IDEE CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 533147168 ALEKPPQUWOZNTB-PMOQBDJRSA-N 428.581 1.390 30 10 IDEE Cn1cc([C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C2(CO)CCC2)cn1 560660342 YSGJYAXECZNWTI-GOSISDBHSA-N 431.518 1.246 30 10 IDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 561132490 YYWIFHFYYBIPPL-GOSISDBHSA-N 445.951 1.671 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1=O 565107396 YDJBDWLRWHOAKL-LJQANCHMSA-N 438.507 1.955 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COC(=O)c2cccc(-n3nnnc3C)c2)nc1C 586272960 FYZCXHUHCQLJOU-UHFFFAOYSA-N 442.457 1.874 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCCO1 603798375 KTBLWSHINVBYMO-MRXNPFEDSA-N 429.929 1.524 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cc1 604001498 HLTHSEQVFRXIKM-UHFFFAOYSA-N 426.501 1.861 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@H]1CCCO1 609350101 HHQRGMNBJIHXLG-CQSZACIVSA-N 431.464 1.149 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 609451670 IBNROFSWHZSYHD-UHFFFAOYSA-N 430.528 1.472 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 619107124 ZUBRITVGCQDTPX-UHFFFAOYSA-N 435.456 1.249 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCN(CC)C3=O)nnc12 670171794 UCOXHTCVIHIWRB-CQSZACIVSA-N 426.502 1.059 30 10 IDEE C#CCN(CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 731213681 NJPVNCDSYYOYKL-OAHLLOKOSA-N 445.372 1.159 30 10 IDEE N#C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Br)cc1 733252910 DAWZBQIHKMFNFM-CQSZACIVSA-N 434.271 1.975 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)CC1 734272269 PUZRFWLEUQBGFC-UHFFFAOYSA-N 437.585 1.843 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 744705692 RDHBNBAUHKLBFD-CQSZACIVSA-N 435.488 1.922 30 10 IDEE CC(C)(C)OC(=O)NCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 749646373 MYXKGYVLRUMFIM-SFHVURJKSA-N 427.505 1.849 30 10 IDEE C[C@H](CC(=O)OC1CCN(c2ccncn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 752575339 AIFCXPLSMUKJPW-CQSZACIVSA-N 429.502 1.506 30 10 IDEE CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCN(c3cccc(C#N)n3)CC2)c1 760508409 BGUZPHQREHUCQS-UHFFFAOYSA-N 430.559 1.723 30 10 IDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C(C)(C)c1cnn(C)c1 784855071 OEJRHTYFJVVGDU-UHFFFAOYSA-N 437.456 1.621 30 10 IDEE COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 797410765 JQJWMEYURGVIDW-KRWDZBQOSA-N 433.493 1.310 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800782934 KHYDYRXWABYLDF-SFHVURJKSA-N 448.549 1.250 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C#N)ccn3)C2)CC1 806543394 ULDWSVXLUSWMBM-QGZVFWFLSA-N 427.505 1.885 30 10 IDEE CCOC(=O)c1cnn(C2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1C 806780522 CHCDNOBJSCXTIP-VHEBQXMUSA-N 444.492 1.241 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 812180166 SNAYHMHVANYXKH-SJORKVTESA-N 446.552 1.974 30 10 IDEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c(=O)[nH]c21 916777810 VMMRZGQWSIPKBC-FPLPWBNLSA-N 425.470 1.837 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N)c1ccncc1 1084008214 FMXMPVRNEQKHBQ-UHFFFAOYSA-N 427.450 1.862 30 10 IDEE CO[C@H]1CCn2cc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)nc2C1 1125188993 MIKKSUMJSKCXBS-ACNSNUFOSA-N 431.518 1.909 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(CS(C)(=O)=O)COC1 1130977787 ZNDUXAPIXNKJOL-UHFFFAOYSA-N 447.307 1.028 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2COc3ccc(O)cc3O2)c1 1136281358 BVFMNZFARBCDPC-HSDQKXRGSA-N 431.470 1.984 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1F 1138759087 IBHCYIWANAAYIE-KRWDZBQOSA-N 426.379 1.383 30 10 IDEE C#CC[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OC 1161357236 MLHMRVCQAGPYMR-RBUKOAKNSA-N 448.566 1.921 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1165490046 SMHQDTOSVLKLEN-IBGZPJMESA-N 445.497 1.205 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)cc1 1168196042 SRVDZWMZLNSBCC-OAQYLSRUSA-N 442.585 1.697 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)NC(C)C)cc1 1286360640 IGAHROKGJFWPEJ-HNNXBMFYSA-N 447.565 1.536 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286388610 SIUZZYUPSZQLFF-SFHVURJKSA-N 429.546 1.222 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(=O)OC)C1 1286626577 ATCRENUHRJSGLE-ZDUSSCGKSA-N 438.941 1.990 30 10 IDEE C[C@@H]1CCS(=O)(=O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1296360319 YVWYRAWOQCJHLM-GFCCVEGCSA-N 426.336 1.793 30 10 IDEE CCOCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1297461204 CUGZPSKUDMOVTD-LJQANCHMSA-N 440.552 1.998 30 10 IDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1299540993 DMMSCQWVMLFXCY-WMZOPIPTSA-N 446.577 1.959 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1300481599 AYRIYJCBHFWGEG-QGZVFWFLSA-N 431.562 1.958 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300489238 KEFTZYDJRHOXNR-OXQOHEQNSA-N 449.964 1.781 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1300539018 WPNMMBBAOCPNGS-QGZVFWFLSA-N 431.562 1.092 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCC[C@H](C)C2)CC1 1300733611 YALGWDBPPGKAJL-AZUAARDMSA-N 428.581 1.827 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1300768014 JMMNYRXWSLANFM-UHFFFAOYSA-N 432.594 1.462 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C(=O)OC(C)(C)C)C1 1301555420 XBLGLOITXQQQOM-JKSUJKDBSA-N 434.541 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301577456 JRBLZSBKRCWIKR-JKSUJKDBSA-N 436.465 1.799 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301585457 BEIKZTCXYSAWBL-RTBURBONSA-N 438.594 1.996 30 10 IDEE Cc1ccc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C 1304364234 NOSPXCXDOIALSC-FGZHOGPDSA-N 444.511 1.816 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1305639596 ALLGMHYSTDXKLF-LSDHHAIUSA-N 445.549 1.303 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C[C@@H](C)O1 1306408290 AADAVMNBSRHTFA-CRAIPNDOSA-N 434.504 1.974 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C[C@@H](C)O1 1306408292 AADAVMNBSRHTFA-QAPCUYQASA-N 434.504 1.974 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCc3cnccn3)CC2)cc1 1310131338 NQLREMOKSNNVRR-UHFFFAOYSA-N 444.561 1.675 30 10 IDEE COCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316019564 XZDKHOJADLPEHO-UHFFFAOYSA-N 449.563 1.931 30 10 IDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1342595495 KXBWGNDFOHLMNT-DLBZAZTESA-N 444.488 1.858 30 10 IDEE C#CCN(c1nnc([C@H](C)Oc2ccccc2F)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1358957119 QAUGHYVCZXFHTB-HOTGVXAUSA-N 448.520 1.709 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NC 1359016246 VIPQYIIWDZMJPH-QFIPXVFZSA-N 429.496 1.845 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)CC1 1359037122 WMKMLJBEYNLCAB-HXUWFJFHSA-N 438.576 1.353 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[S@@](=O)C(C)(C)C)CC1 1359043865 MFKQTBMDGSOIRR-WJOKGBTCSA-N 442.589 1.853 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1)C1CC1 1359251714 STVBPVQUFPJDJK-SFHVURJKSA-N 435.525 1.953 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1360618528 DRCKCFLAUUBMCN-HNNXBMFYSA-N 444.561 1.745 30 10 IDEE Cn1cc(Br)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1=O 1447487803 SGYDTCUGHMFQOF-MFKMUULPSA-N 425.283 1.637 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1452487605 OHBLEZBHLPAVMH-OXJNMPFZSA-N 442.541 1.568 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)ccc1F 1463127365 QCFPVUGGKAPRMQ-MRXNPFEDSA-N 430.523 1.329 30 10 IDEE CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1466254760 MMLDJQODVMNFTF-OXJNMPFZSA-N 438.532 1.673 30 10 IDEE CCc1c(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1469535171 NZDBFGVXIIAVFW-QGZVFWFLSA-N 446.511 1.417 30 10 IDEE C#CC[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1473788178 DSZAAEAITDBLLG-HNNXBMFYSA-N 425.938 1.645 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1504520620 FDTDVXIWCOWQQP-IPMKNSEASA-N 445.545 1.492 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@H]1C 1504911491 VEYWNVIDIXHMHY-WZONZLPQSA-N 440.548 1.779 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1507516736 MMXRHALTLLNLLQ-CABCVRRESA-N 447.565 1.488 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1507631103 MCYBADVAJNNZPC-CYBMUJFWSA-N 448.459 1.002 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1507654011 UPDGXZZXUOTNHG-QGZVFWFLSA-N 447.586 1.296 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cl 1507702102 GKUAKIWAVSQUHP-CQSZACIVSA-N 425.942 1.676 30 10 IDEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507904752 OVQZMXQLCCNCDA-JOCHJYFZSA-N 446.573 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508137547 NKXCZPOUXSRAND-MJGOQNOKSA-N 448.593 1.041 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1(C)C 1518634973 OSUNXDCCGDPEHX-KRWDZBQOSA-N 433.534 1.635 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1nccs1 1524723831 FBFDKFRSXGFUET-UHFFFAOYSA-N 447.538 1.981 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1 1535349587 HSBKTFLBOBGELS-ZHRRBRCNSA-N 444.536 1.707 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1539016711 VGAATPBCNVGBCA-ZFWWWQNUSA-N 438.579 1.077 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1539085727 QXJITUSRKBVANQ-MRXNPFEDSA-N 444.561 1.772 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1539132314 HZNFHXNMXVZDIJ-QGZVFWFLSA-N 433.520 1.191 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2)n1 1539423749 FKAXVBKOMLQGJD-FQEVSTJZSA-N 433.516 1.760 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539966234 HPJPBTRQOMXGAG-MRXNPFEDSA-N 449.556 1.792 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1540879832 PIMSGDTWYHIVQV-YWZLYKJASA-N 448.524 1.943 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@](C)(O)c1ccco1 1541925353 AZZUMRSUOSJQKU-AUUYWEPGSA-N 436.538 1.519 30 10 IDEE CCOC(=O)C[C@@H](O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1542096589 QZEMFYOTFYVCGD-WFOVFMPGSA-N 425.507 1.532 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1548266800 KTSJBBSOQRBGGU-UHFFFAOYSA-N 439.520 1.427 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CCO1 1554451255 COXMZIRNPPJLNR-LNLFQRSKSA-N 442.495 1.818 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(C#N)n1 1556514959 GGKOHZFTBBWBFE-KRWDZBQOSA-N 427.509 1.291 30 10 IDEE COC(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)(OC)c1ccccn1 1558028481 IOPUGHQMRNDZAK-QGZVFWFLSA-N 437.456 1.420 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)CC1 1558075194 PFWQUIUKNQJQFB-MRXNPFEDSA-N 429.420 1.005 30 10 IDEE C=CCCC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)OC 1558383442 UNRJWSAVJLTZAX-OAHLLOKOSA-N 430.548 1.326 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)cc1 1558477946 XALYAXOMYTZHPA-UHFFFAOYSA-N 439.497 1.142 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cc3ccc(OCCOc4ccccc4)cc3)C2)c(=O)nc1O 1558806124 FFPKGQSCSJKEMG-UHFFFAOYSA-N 446.463 1.904 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)s1 1583424086 PUNPIXLFNDNCDD-IYOUNJFTSA-N 444.575 1.618 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1584872624 YKUNBLJRQXJWLY-UHFFFAOYSA-N 443.525 1.919 30 10 IDEE Cn1cc(I)c(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)n1 1585833192 XUIFPVCSAKOWMH-UHFFFAOYSA-N 433.213 1.788 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588053250 BRTGDDSUMFFTAW-OALUTQOASA-N 446.577 1.394 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1588158711 IZCFUQRRXPVDOU-UHFFFAOYSA-N 436.497 1.252 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nnn(C)n1 1588694598 AJGSBGHQRQDEBV-UHFFFAOYSA-N 438.536 1.812 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588907699 DHFKYZJMZWNRIQ-XDHUDOTRSA-N 448.527 1.322 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCOC2(CCOCC2)C1 1595797702 HXOXDXOMVKYJNL-QGZVFWFLSA-N 440.566 1.506 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCS(=O)CC1 1595821790 CWWASVPBRUYSOX-UHFFFAOYSA-N 438.575 1.069 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(CC#N)c2ccccn2)CC1 1611467605 YKLRAUNPGXTHQH-UHFFFAOYSA-N 442.497 1.826 30 10 IDEE C#CCN1CCC(NC(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)CC1 1611662352 DQASKENMKAWOIZ-UHFFFAOYSA-N 431.562 1.240 30 10 IDEE CN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1617749989 KVBWVOZKGZMKOM-GOSISDBHSA-N 448.549 1.893 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)c1 1622468087 ZYXBOEVFIYJALT-UHFFFAOYSA-N 437.562 1.687 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1626694752 HPACCCRWECCISE-QRVBRYPASA-N 442.516 1.705 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)C2)C1 1628072408 RFIPNIGDTPXNNQ-CXIVCQEWSA-N 437.562 1.809 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncc2c(n1)CCC2 1629662242 FELPSWBKCSCECT-KRWDZBQOSA-N 427.530 1.879 30 10 IDEE CNC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(F)cc1C 1630951299 QUNZUHBDIFYNLS-KRWDZBQOSA-N 446.504 1.005 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 1633793967 MCTRSRZSTMDQJI-UHFFFAOYSA-N 435.488 1.792 30 10 IDEE COCCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1637302049 PCDGFKBHTLHVAL-OKILXGFUSA-N 429.926 1.750 30 10 IDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640503210 DXUJKDIKJPNTRX-FZKQIMNGSA-N 431.470 1.507 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)ccc1F 1640584157 KMEMLBUIGNEWAE-ROUUACIJSA-N 425.526 1.519 30 10 IDEE N#C[C@]12CN(Cc3cc(I)cc([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1648503359 FQRNIKCTALRWGN-SMDDNHRTSA-N 447.254 1.570 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCCCOCCOCc3ccccc3)C2)c(=O)nc1O 1680705998 ZGESKVGYKWKFCD-UHFFFAOYSA-N 427.461 1.010 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689933963 FBSPVZYIOSXTBY-UHFFFAOYSA-N 441.561 1.402 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986814 XOODBIMXIXCYRO-ROUUACIJSA-N 432.594 1.876 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690132000 CQFBFZGPAMXRQU-CVDCTZTESA-N 425.533 1.461 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1690526710 CEYNEHAKOGFFLZ-MSOLQXFVSA-N 440.614 1.498 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1690531806 ARSXSXPXRZWGGH-INIZCTEOSA-N 425.541 1.523 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 1690669426 FGOAXSZNZPVNFY-OALUTQOASA-N 438.532 1.717 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 1690671041 NXGIPJCOVKWECU-MRXNPFEDSA-N 447.536 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCSCC1 1690724432 OPLILKACQOUPAZ-KRWDZBQOSA-N 436.559 1.945 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690725594 VORSFOLCNDTJGB-SJORKVTESA-N 426.583 1.852 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1690746863 LPKLQAAPRQUYCC-INIZCTEOSA-N 441.579 1.760 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](CC)OC)c1 1705508463 WGSUPWVTIYTMIR-IBGZPJMESA-N 438.532 1.882 30 10 IDEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705518557 RVGAJHROPNPZNW-UHFFFAOYSA-N 430.597 1.651 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1705580699 NBQNCJBZNDQCSH-FQEVSTJZSA-N 432.528 1.495 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2nccnc2C)CC1 1705647645 JMRYXEKVIKDNOT-UHFFFAOYSA-N 431.504 1.042 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1705703773 OUVDCSFCGJNWTC-OXJNMPFZSA-N 443.552 1.391 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1705717142 DCIWQVSKKICBPP-KRWDZBQOSA-N 441.598 1.709 30 10 IDEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1705741908 CQLAXYDNOGVPMN-SFHVURJKSA-N 449.577 1.797 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC(C)C)N(C)C 1705843278 BEWVJMXMSWSSQV-SJORKVTESA-N 428.603 1.210 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1711200611 CDSUPRMRTRFVEV-UHFFFAOYSA-N 433.520 1.736 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1712401173 SWYFYNSLONRVGT-INIZCTEOSA-N 441.536 1.332 30 10 IDEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1712810437 CHLNQDNIAOBBNB-QGZVFWFLSA-N 439.545 1.107 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC(F)(F)C(F)F)C1 1712874822 CYRBBWACPBAZIY-INIZCTEOSA-N 436.385 1.873 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1712878352 CZNZYTTTYMFWDL-FQEVSTJZSA-N 426.502 1.106 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722360184 DSMIFKKCSPAJEJ-RBUKOAKNSA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722369054 VCKLKMQNFDMSGI-GJZGRUSLSA-N 432.493 1.428 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCc1ccccc1 1722371701 ZXXSPOQVALGZGF-UHFFFAOYSA-N 441.495 1.705 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)C 1722379076 LDHINPPCHZZKKZ-UHFFFAOYSA-N 441.561 1.226 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722402225 SGBQGEIVZMVTPD-WOJBJXKFSA-N 426.565 1.535 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1722437110 JXZXKUMAEOMQFL-QGZVFWFLSA-N 428.503 1.495 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1722490842 DTNMTTVPPKFBBQ-PDOICOKGSA-N 441.598 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722491600 BGZHIRPNXWINOW-OTWHNJEPSA-N 441.598 1.445 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(N)=O)C1 1722492479 BHFAVNLAYBLRRW-RYRKJORJSA-N 432.569 1.879 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722492544 CASYSWLXOKKUIJ-LMMKCTJWSA-N 430.553 1.599 30 10 IDEE C=C(C)Cn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1722524214 UUGCESWKZVAMKW-RBSFLKMASA-N 425.555 1.543 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722572017 JFNFTHZTZJRUJM-IRXDYDNUSA-N 440.566 1.098 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1722697930 RGJISSLZSQKPET-UHFFFAOYSA-N 435.536 1.767 30 10 IDEE CN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1729414010 BBCBTCRRAIKLRV-BSBNDGSWSA-N 435.488 1.392 30 10 IDEE CN(Cc1cnccn1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1729432286 UIZOPKPWFSBEQM-VZCXRCSSSA-N 430.472 1.898 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1730955420 JNBIGPSTWSOGMO-RDGPPVDQSA-N 432.569 1.851 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1740588743 FMVSTFPFWXFICJ-MRXNPFEDSA-N 433.516 1.790 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1740626636 XTTIBRAZHAKOLA-QGZVFWFLSA-N 430.559 1.523 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1740627582 RAMWVAYPJZYJJP-SCTDSRPQSA-N 435.594 1.282 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1740647043 MWJXPPWOCNKGBL-QFIPXVFZSA-N 448.589 1.606 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1740844021 URWWGPULPBKSTH-INIZCTEOSA-N 441.598 1.876 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1740850619 ICVOQMZHRBGITI-HZPDHXFCSA-N 427.571 1.438 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1)C1CC1 1740909809 AFPATNROLRCIRW-QFBILLFUSA-N 425.555 1.335 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCC)CC1 1740993061 XVTDPTSPXMDYJL-KRWDZBQOSA-N 439.582 1.125 30 10 IDEE CC(C)OCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1741758335 GLBLBRMPEACBHE-KRWDZBQOSA-N 448.549 1.349 30 10 IDEE C[C@@]1(N2CCOCC2)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1742015137 FGZGYHGJYYYZEX-OAQYLSRUSA-N 444.561 1.162 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1748673010 YGQUEOAVQPFBNX-FUHWJXTLSA-N 429.546 1.377 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)C 1748795040 UWKUTIRLSGCHGR-UHFFFAOYSA-N 437.592 1.627 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748810152 SKAZPSAJJWPCDZ-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccs2)CC1 1748991546 ZTSPJMHCKUKXAK-KRWDZBQOSA-N 428.562 1.419 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N(C)C)CC1 1749005929 BHJWAJJZGUFDHD-UHFFFAOYSA-N 438.532 1.398 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749031830 KIAXIWZUCDOLNQ-INIZCTEOSA-N 425.518 1.179 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749135355 DXNKWPDYFSVNIS-BXWFABGCSA-N 437.566 1.005 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1749611658 BEAJTEIIBVQAIR-VGSWGCGISA-N 443.504 1.516 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1749664739 YLZNQHIAIGVEPE-QGZVFWFLSA-N 435.536 1.481 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 1749693674 LQWFRRHNBBCFPP-SFHVURJKSA-N 433.601 1.224 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC)C1 1749721866 VWOUPOFHJDJLHW-MRXNPFEDSA-N 425.555 1.120 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2cccn2)cc1 1749829903 AUQADCPOTXOSJU-LJQANCHMSA-N 434.504 1.830 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1750379651 GPJFZSGLLXNJEC-GOSISDBHSA-N 442.586 1.756 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1CC 1760116598 INXYGSFSVWBAQP-JKSUJKDBSA-N 444.540 1.704 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 1760138258 VEFTZDXBSAJRNT-GOSISDBHSA-N 439.582 1.277 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760164119 KRQGKCQLNFDKMF-HOTGVXAUSA-N 435.525 1.908 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccnc1N1CCOCC1 1760246137 KZQYRABZDBIXCV-UHFFFAOYSA-N 433.516 1.706 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2)CC1 1760253948 KYBGDJMQOGBTEJ-INIZCTEOSA-N 434.541 1.025 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760283917 CUOKLDOHIKFNNL-UHFFFAOYSA-N 447.568 1.988 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1760286733 SXBOYMZGSYHHOT-NQIIRXRSSA-N 435.594 1.649 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760523178 OKKCXJQEWAAWGC-HNNXBMFYSA-N 444.540 1.332 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760525462 GYMVBURFEXRMLE-UHFFFAOYSA-N 437.591 1.636 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCO[C@@H]1C 1761244585 PPWOXXDXUXSEFI-YQYRJILISA-N 438.532 1.700 30 10 IDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1763109912 KFNMMUUYPWKJLV-SJORKVTESA-N 441.502 1.670 30 10 IDEE CN(C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766934318 MYDJICPVGUBRGP-UHFFFAOYSA-N 435.536 1.445 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)C[C@H]1O 1767921193 AHQDPQJEDZPAHV-RTBURBONSA-N 439.516 1.872 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1)[C@H]1CCSC1 1768542897 BKGCCAAJBSXGDR-KRWDZBQOSA-N 447.586 1.698 30 10 IDEE COCCN(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1769782929 FEBGYVJKLJMXLJ-LPHOPBHVSA-N 432.500 1.864 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)c1 1769898185 AEZOBSJVQMPMBT-OAHLLOKOSA-N 428.493 1.417 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCS(=O)(=O)CC2CC2)cc1 1770739981 FBJQZIJNUINCKW-UHFFFAOYSA-N 433.559 1.210 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1771353745 UQIYPIHUQWCADO-LJQANCHMSA-N 428.562 1.926 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772791061 KFCRGXSKEXGXFG-PCDDKUFXSA-N 436.342 1.726 30 10 IDEE C=CCN1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851707889 DFKGDLCSHIVUDW-JOCHJYFZSA-N 438.553 1.778 30 10 IDEE Cn1[nH]c(=NC(=O)COc2ccccc2C#N)nc1N1CCN(c2ccc(F)cc2)CC1 1851974239 JFLRUXQFZBSXHP-UHFFFAOYSA-N 435.463 1.592 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854285760 AFMYVOAUYIOBJA-LJQANCHMSA-N 432.546 1.450 30 10 IDEE C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854646205 WHIFTIBQZNHBDA-CVEARBPZSA-N 427.482 1.774 30 10 IDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866341364 JRTRFSIQFQIJFC-ZDUSSCGKSA-N 430.417 1.967 30 10 IDEE N#CCCN(CC(=O)O)C(=O)c1cc(O)c2cccc(I)c2n1 1866527547 WFTFDSUVDNLGHZ-UHFFFAOYSA-N 425.182 1.985 30 10 IDEE CCOC(=O)CN(C)C(=O)C(C)(C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868794810 GQPUVRITOXHSLB-INIZCTEOSA-N 434.562 1.941 30 10 IDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1870141746 IOWOGKFASGDUIY-UHFFFAOYSA-N 429.396 1.332 30 10 IDEE CCCCCCCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN(C)CCO 1870581990 MRUVSYUNRLIEPZ-UHFFFAOYSA-N 437.581 1.871 30 10 IDEE O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)NCC#CCN1CCOCC1 1891101560 SZCMHFZWCWKRLV-HSZRJFAPSA-N 435.524 1.245 30 10 IDEE N#Cc1c(S(N)(=O)=O)ccc(I)c1I 2055358007 VZSSFDFNFHAHPH-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2124538746 MVHDSDBWUWTHQR-ZFWWWQNUSA-N 448.329 1.644 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)C1 2224119395 FCSMIDXMGMGUAD-UHFFFAOYSA-N 432.330 1.515 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2248404102 ILYUDTHOCDSBGR-LJQANCHMSA-N 438.359 1.891 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255846231 OWDDCMCBTHWMJZ-CQSZACIVSA-N 438.330 1.879 30 10 IDEE CN(C[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2267112265 DGOWJXOEJXKQDO-CQSZACIVSA-N 449.361 1.443 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)n1 2267117609 FGCCHLOXESOUEH-GOSISDBHSA-N 439.369 1.899 30 10 IDEE Cc1c(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267142134 PXXWJRIPUTUNGU-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267510302 JIPAMHIFIHSBCD-HUUCEWRRSA-N 446.357 1.657 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268796211 FFPHVDUWDHRESQ-CQSZACIVSA-N 448.329 1.478 30 10 IDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)c1c(Br)c(Br)nn1C 2367740436 MVAHOFIMHRAYOG-QMMMGPOBSA-N 425.146 1.786 30 10 IDEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1C(F)(F)F 20840151 MVRMWWHNSCEGQY-UHFFFAOYSA-N 431.444 1.611 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC3=C(C(=O)OCC)[C@H](C)NC(=O)N3)cc2C1=O 24474288 ZOJJVJKFJLUGIY-NSHDSACASA-N 427.413 1.144 30 10 IDEE C/C(CC(C)C)=N\Nc1nc(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)n[nH]1 59892322 OAKDOCXPUMQQQG-DEDYPNTBSA-N 435.558 1.767 30 10 IDEE CCN(CC)c1ccc(N2/C(=N\C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 102597462 JJEVRHORUMNGOE-VHJGWARJSA-N 439.559 1.999 30 10 IDEE C#CCCN1C(=O)[C@@H]2[C@H](c3ccc(/C=C/c4ccccc4)cc3)N[C@](CO)(C(=O)O)[C@@H]2C1=O 248251668 SMMCROKGJCPVQJ-LEMXSKNZSA-N 444.487 1.942 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C 431220559 HHSVOPSBTVZTNE-UHFFFAOYSA-N 433.599 1.852 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2)c1C#N 435307049 PGPSNWJCAZDDIF-GFCCVEGCSA-N 427.534 1.469 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)CC1 503963177 MSEXDRHADOVCNX-NQIIRXRSSA-N 426.561 1.432 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)C(C)(C)C1 508884274 GIROEJQWOXNAHZ-UHFFFAOYSA-N 428.518 1.391 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 511495817 FNNYNUDYGCEALG-UHFFFAOYSA-N 425.923 1.295 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C[C@H]1CCCO1 512721753 YOHMXMXPNXSJNX-OAHLLOKOSA-N 447.919 1.687 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccccc1 530315779 CAKDFMGTVHSQEI-MRXNPFEDSA-N 437.546 1.913 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(C)C 543146437 ATCOFRIDXGBOMB-UHFFFAOYSA-N 439.566 1.618 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H]2CCOC2)n1 549695614 KSYROYFXQPWSTJ-LJQANCHMSA-N 447.547 1.770 30 10 IDEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 561045951 AXCWHCUTXPGCJP-INIZCTEOSA-N 427.548 1.308 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@](C)(C#N)CCOC 571869279 AHYHUUPMPODXMK-FQEVSTJZSA-N 438.550 1.070 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 580519219 CJPSGNMNEMOYMV-UHFFFAOYSA-N 446.479 1.124 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(OC)ccc1OC 727418859 YZIPQNORIDRPMB-UHFFFAOYSA-N 439.493 1.538 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)[C@H]1CCS(=O)(=O)C1 729331249 ANJURLIKILULPU-KRWDZBQOSA-N 437.477 1.140 30 10 IDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C1 732152615 FAABYCSIIHYYFW-DSGGYQJVSA-N 446.529 1.363 30 10 IDEE CN(C[C@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1)C(=O)OC(C)(C)C 732464778 AELKTGASAYTQKP-BQASMSSTSA-N 435.525 1.801 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)CCN1C1CC1 732708880 WJINWRPBBNLBGA-MRXNPFEDSA-N 429.908 1.713 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 733886022 CWBRKHXXNUSKHM-VXPUYCOJSA-N 434.518 1.250 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 758117681 GLOYGQSMRHNGKR-KRWDZBQOSA-N 426.542 1.568 30 10 IDEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C[C@@H]2CCCO2)c1 763435614 BTXZCKYOMURHQX-IBGZPJMESA-N 449.532 1.822 30 10 IDEE COC(=O)c1cncc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 769010824 VXYMFRQNOXTYPE-MRXNPFEDSA-N 430.486 1.960 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)n1 789324906 XIRWIAMXMADLHE-LJQANCHMSA-N 427.524 1.841 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCSC2)cn1 790284664 FESKMZZCRBGXID-GDBMZVCRSA-N 438.623 1.656 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccnn2-c2ccccc2)CC1 790296192 DCNYVMDHFJJDNX-UHFFFAOYSA-N 425.518 1.649 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCCn2ccnn2)C1=O 790751970 ZDNXEWBQAPHSDO-OAHLLOKOSA-N 435.579 1.429 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 811726751 HYQQGTLQDSXVCK-UHFFFAOYSA-N 446.410 1.780 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1COc1ccc(F)cc1 814792310 PAUGHASZOHDUFM-UHFFFAOYSA-N 425.471 1.018 30 10 IDEE COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 917036267 JESHUXUUGFWHQQ-KRWDZBQOSA-N 426.473 1.617 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 919848010 MEIVBXZRRRMHGE-GOSISDBHSA-N 440.525 1.792 30 10 IDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CCOCC1 1133710217 VEXMIWHKNZSBQY-UHFFFAOYSA-N 449.529 1.993 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1136583468 WGBRDCNTTVTYHI-VGOFRKELSA-N 429.521 1.799 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1141055789 JFZIFCNQDZWGHF-QGZVFWFLSA-N 439.553 1.981 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21)c1cc[nH]n1 1142686263 BAQZPIRGPJTPCT-UKRRQHHQSA-N 435.481 1.161 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)c1 1156109145 VVSATCRFKODKKM-UHFFFAOYSA-N 435.523 1.810 30 10 IDEE C#CCN1CCC(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1213773406 OOEIMZYLRRODIF-UXHICEINSA-N 435.546 1.039 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1216038798 JPJQAYHKCCZDKW-APWZRJJASA-N 438.550 1.629 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286277456 YQTMRYCXKVSZCA-ABSDTBQOSA-N 439.582 1.058 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1286400934 LUADUAMIMWHZDW-AUSIDOKSSA-N 437.548 1.406 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1286421991 IBHSEURZFVYFEX-DEOSSOPVSA-N 437.544 1.837 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1286443120 ZCOVYTRFBSNUDK-QGZVFWFLSA-N 433.516 1.566 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1286518202 QKQSATXITDNYEZ-HVETUWLQSA-N 444.557 1.881 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(=O)OC)C1 1286626576 ATCRENUHRJSGLE-CYBMUJFWSA-N 438.941 1.990 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1286629768 NPGWLFTWTORTQR-BRWVUGGUSA-N 444.001 1.480 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC[C@@H]2CCOC2)CC1 1286638132 VHWVRFSLVUOGKI-IRXDYDNUSA-N 427.571 1.488 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286670471 GSZGHVYWOKMUJD-GOSISDBHSA-N 443.596 1.576 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COCCO1 1286741633 BBXFGLJALPZGBL-FQEVSTJZSA-N 436.516 1.994 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1286781849 CKDQSBFBGZDFIS-AWEZNQCLSA-N 447.337 1.712 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](OCC=C)C1 1286783092 GQOISYYZUSGIEV-GOSISDBHSA-N 435.492 1.004 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286785558 GNQSIDHBQINUGK-WMZOPIPTSA-N 432.569 1.605 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286822710 NUTCDCUXAGOXCR-HXUWFJFHSA-N 444.605 1.929 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2ccco2)CCOC1 1286961750 QWNGLKLRACHBTQ-IIBYNOLFSA-N 430.509 1.938 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1287045921 HUEVNVWSTXSOLL-GOSISDBHSA-N 435.532 1.933 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)CCC(F)F)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1290607919 YQZAKTYRPVCMMB-HNENSFHCSA-N 448.478 1.758 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1297836772 RSENDLRMOBKTNV-HUUCEWRRSA-N 445.463 1.634 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1300304192 MOOCXJSCBXLIAJ-MRXNPFEDSA-N 436.516 1.582 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300502738 WJBOPIFXPNRJDO-INIZCTEOSA-N 431.566 1.252 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300504747 RLAUBVOUCHMPMH-WOJBJXKFSA-N 445.589 1.744 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CC(OCC)C2)CC1 1300692439 FHZOJZJUVFFHFD-UHFFFAOYSA-N 425.533 1.639 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)N(C)C)CC1 1300698458 SQZQQAKZEBJAMA-SFHVURJKSA-N 448.575 1.380 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300830287 DTSABQAYRFGUFB-UONOGXRCSA-N 443.346 1.467 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 1301002902 ADALIPWXVAPEIZ-FUHWJXTLSA-N 444.561 1.413 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)O[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1301414012 JXJOBGYDVZTSOO-SAKMYQHLSA-N 431.493 1.755 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNC(=O)C(C)C 1301493164 VLKSQHBSCBPJJM-UHFFFAOYSA-N 428.493 1.184 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC)[C@@H](C)C1 1301497541 YNJXGWMGMDGTKU-SFHVURJKSA-N 434.548 1.963 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301825634 TYRARTPJERRLQN-MXLIYFDZSA-N 427.509 1.177 30 10 IDEE C[C@H]1CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1305048533 KBAODTVJEODNKA-HMWBCQRISA-N 436.476 1.441 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@@H](C)O1 1305207875 XQUVGTBKANRQPL-IAGOWNOFSA-N 427.505 1.884 30 10 IDEE CCCN(C)C[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1306783764 OYXBMJLERBPXFK-BSBNDGSWSA-N 427.553 1.850 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)C1 1314011551 XSPSEJZMEGFFFZ-GOSISDBHSA-N 426.502 1.976 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1314856473 IHYUZLHKQNYRDX-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1359043493 WDEXALDLWMHCTK-UHFFFAOYSA-N 448.527 1.324 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCC(=O)N(C)C)CC1 1359046099 DURBVFKVTQPBGU-UHFFFAOYSA-N 437.548 1.098 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359089221 DXPLSYRBZOLMMK-HQRMLTQVSA-N 444.580 1.989 30 10 IDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359199707 DYRPVEBNWZSQFE-SFHVURJKSA-N 442.549 1.900 30 10 IDEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359203883 XUCBLAFCULDIKY-GOSISDBHSA-N 430.553 1.803 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)N1CCCC1 1359240520 QDFKDQUUNOUCCD-IAGOWNOFSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359297350 NLQZOUICCLTHNQ-KRWDZBQOSA-N 440.548 1.999 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359305423 CIIQVPXJUAFOIJ-OWCLPIDISA-N 445.524 1.080 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1359430107 IFWPLEBTGOOHDN-UHFFFAOYSA-N 449.519 1.503 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1359564098 GPBVMFAVAWMZLF-XJKSGUPXSA-N 441.492 1.846 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@H]3C[C@H]3CCCO3)C2=O)cc1 1439728008 MGGQGAHUYGFZJS-GUDVDZBRSA-N 426.473 1.560 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3c[nH]nc3I)CC2)c1C#N 1450543190 MWWUJSPGAOPMIJ-UHFFFAOYSA-N 428.259 1.613 30 10 IDEE COC(=O)[C@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)CCOC1 1460460797 HXKCELLQXZLASI-JPYJTQIMSA-N 444.532 1.280 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(I)cc1O 1464922827 GSBTYXDZNZYENC-FYWRMAATSA-N 427.198 1.253 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(c4nccnn4)CC3)C2)C1 1470443433 ZDENPENOZBVLKX-TZQQIIETSA-N 427.509 1.307 30 10 IDEE CN(C)CCN1CCC(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1503401682 QLHBGOLHYKFAHY-HXUWFJFHSA-N 443.621 1.933 30 10 IDEE COCCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1504909118 AGUDEDHXKXFDEC-QFIPXVFZSA-N 444.536 1.600 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1505323464 YKEPBBSPTZMVMM-HKUYNNGSSA-N 442.495 1.399 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)c1ccccc1 1507514471 NOOIHGBJYWFMJW-QGZVFWFLSA-N 429.546 1.836 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507630988 KLJFJHDGGSLFKB-GOSISDBHSA-N 428.493 1.493 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)n(C)c1=O 1507644495 JCRBBTMPUJDPQV-UHFFFAOYSA-N 439.483 1.049 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507716991 XOVOMZZSWZJVFV-BGYRXZFFSA-N 443.640 1.928 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1507732214 DEMVBNXKSAOHNW-HXUWFJFHSA-N 443.573 1.478 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1507853037 GFHNCJNYDVPHJQ-YPMHNXCESA-N 429.934 1.716 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507888536 NMUZAGOTIWHSQP-HXUWFJFHSA-N 436.509 1.702 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507967341 JLRFHDVHDHJFDD-RBUKOAKNSA-N 432.569 1.957 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1508014086 VKCNEHPWZCHMJW-UHFFFAOYSA-N 427.530 1.935 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1508059609 XZCGCUZDMHKAFL-AWEZNQCLSA-N 434.522 1.061 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508155886 SFVFKRIOKYDWCM-UHFFFAOYSA-N 425.522 1.241 30 10 IDEE CC(C)CSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1509492575 VVNTYQASNSXHKY-JKSUJKDBSA-N 444.627 1.739 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1516180709 FJLBHZAANGSNKI-UXHICEINSA-N 432.456 1.395 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)c1 1516760401 CNKOHEAZHVBZNF-UHFFFAOYSA-N 427.464 1.907 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1517497790 CLEYNAMPLWSQJG-OAHLLOKOSA-N 431.447 1.160 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1519163951 GHLSIHBJRBAABJ-IBGZPJMESA-N 438.532 1.873 30 10 IDEE C#CCN(C(=O)c1cnn(C(C)C)c1I)[C@H]1CCS(=O)(=O)C1 1530298244 XALOBEZTIPMSJE-NSHDSACASA-N 435.287 1.331 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCC(F)(F)CC1 1539395690 HBZXXAQIIUASNM-CQSZACIVSA-N 433.525 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2(C)C)CC1 1539446626 HKJYHIOHDFBCNI-IAGOWNOFSA-N 437.635 1.467 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)cc2F)CC1 1539488883 DPPICAUJFOQLMS-UHFFFAOYSA-N 429.496 1.976 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1540027428 WMNQJWGNNPTNOT-ICSRJNTNSA-N 429.569 1.818 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)C(C)C)CC1 1540862154 STQNULWXFPKVSO-UHFFFAOYSA-N 447.584 1.193 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1540870097 DYNCIKPHSFZUEK-JKSUJKDBSA-N 445.524 1.906 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)CS(C)(=O)=O 1540874027 SEIUICUABZYYNC-MRXNPFEDSA-N 444.561 1.453 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540907125 LZWXGEQBCRTELI-LJQANCHMSA-N 448.593 1.550 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(C2COC2)nn1 1541513549 WSAVJMPXDHHNHF-QGZVFWFLSA-N 427.513 1.206 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCCCCCS(N)(=O)=O)c1 1544401925 PEDRFOQUQYDXKW-FXBPSFAMSA-N 444.579 1.677 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 1544486960 OXQPDGJRKOLJRT-OAHLLOKOSA-N 437.449 1.511 30 10 IDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)cc1 1544607152 AALJVBQDOJYFRM-UHFFFAOYSA-N 427.530 1.851 30 10 IDEE CN(C)C(=O)Cn1c(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nnc1C(C)(C)C 1552733708 GGFDKWQNFPPHLH-UHFFFAOYSA-N 426.525 1.727 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1552919276 DFYYZTMVIMLWMA-QGZVFWFLSA-N 426.506 1.122 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555806686 JTFAHQPVPDZCTQ-RBUKOAKNSA-N 445.545 1.666 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1556797285 TZZXPHWNGJSSJC-HXUWFJFHSA-N 433.574 1.828 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1558480771 LCWQMBWWGBXWOS-OAHLLOKOSA-N 425.532 1.108 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC1 1561296336 KBKFHQWSZDQXNT-UHFFFAOYSA-N 432.571 1.564 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl 1561725468 ZAISUCFCFZPKSA-UHFFFAOYSA-N 427.953 1.771 30 10 IDEE COc1ccc([C@@H](CO)N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1566969515 LGFZVMKHCPIFML-VQTJNVASSA-N 436.468 1.964 30 10 IDEE C#CC1(O)CCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1585305046 JKOFUSUSCAXSMZ-UHFFFAOYSA-N 436.530 1.283 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1587707243 YJMAXBLXCHYNII-IRXDYDNUSA-N 438.598 1.433 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1587847558 NLLAIGAMQCNDKP-HNNXBMFYSA-N 433.534 1.823 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1587908982 ACWDHDHRINXICA-INIZCTEOSA-N 444.561 1.128 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1587970369 VOAJUJJTCRSATN-LJQANCHMSA-N 439.545 1.624 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1588733412 RRWWZEUFNPHFCP-PMACEKPBSA-N 429.613 1.540 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588954616 IWOSGXMWAIRGHG-HXOBKFHXSA-N 429.565 1.517 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC2(O)CCOCC2)CC1 1588968669 ONLKDOXBBKTRSJ-GOSISDBHSA-N 431.537 1.027 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCOC2)CC1 1594097278 PSGRRUHTVWSUQW-JTSKRJEESA-N 449.552 1.894 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1594669286 UVXHOQNHCVLZOZ-QFIPXVFZSA-N 445.568 1.977 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC)CC1 1595776527 BCQMNQXOTJWBTR-UHFFFAOYSA-N 433.534 1.743 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1595871723 XKFRALMNIMPIJE-UHFFFAOYSA-N 439.545 1.390 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1596782854 LUBQETFXPXZDEL-ZBFHGGJFSA-N 429.500 1.495 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1611772068 KEWOJAPJDWUXOO-UHHPSXQGSA-N 425.493 1.438 30 10 IDEE C[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612798848 YHNYBXGYTFKJIG-FZFLATATSA-N 427.509 1.163 30 10 IDEE CN(C)C(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1617563419 DKGNSJSXAGTBTP-OAQYLSRUSA-N 431.516 1.605 30 10 IDEE CN(OC1CCCC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1618370178 BCLGERFVKOJVJR-FMQUCBEESA-N 443.508 1.237 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@](CO)(C(F)(F)F)C2)CC1 1620566235 OPIRQMNKMDWFOK-MJGOQNOKSA-N 428.430 1.781 30 10 IDEE Cn1cc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)cn1 1621514289 IGJSPFOKDVZKCQ-JQHMZKTJSA-N 428.537 1.856 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 1621678870 GJHWCAHLOFTZTP-CQSZACIVSA-N 432.951 1.613 30 10 IDEE C=CCn1cc2ccc(NC(=O)NCC(=O)Nc3cccc(S(=O)(=O)NC)c3)cc2n1 1627664168 FFFSTOVYDBRURE-UHFFFAOYSA-N 442.501 1.891 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1627843488 UNAXWYSBZZRPCV-JOCHJYFZSA-N 429.521 1.800 30 10 IDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(N2CCNC2=O)cc1 1630740560 DXMSZSDOXUTYMG-LSDHHAIUSA-N 441.513 1.632 30 10 IDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)CCC1 1639510523 OZDCAWRDYKSXED-HXUWFJFHSA-N 438.477 1.433 30 10 IDEE COC(=O)[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c2ccc(F)cc2O1 1644269146 ZJEYJDQXGZKZCI-KZULUSFZSA-N 447.444 1.331 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2CC2CCOCC2)s1 1648375144 HGOIGLAGTCOLIQ-INIZCTEOSA-N 428.576 1.799 30 10 IDEE N#Cc1cc2c(n(CC(=O)N3CCCC[C@@H]3C(N)=O)c1=O)CCN(Cc1ccccc1)C2 1652112074 HKPRNUBUUAQGLN-OAQYLSRUSA-N 433.512 1.145 30 10 IDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)ccc21 1654811889 QYDHTFNIPKNOGL-UHFFFAOYSA-N 436.424 1.227 30 10 IDEE N#Cc1cn(CCNC(=O)NCCOCc2ccc(Cl)cc2Cl)c(=O)nc1O 1685948198 NMCMELQIGGESPU-UHFFFAOYSA-N 426.260 1.643 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1689847565 CEIXOYWFYUTPLI-ZWKOTPCHSA-N 449.559 1.497 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1689852205 CBKWKURRGFAYBT-CABCVRRESA-N 425.555 1.505 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2cccnc12 1689965692 BHPGUOHEYHFIJL-GOSISDBHSA-N 440.529 1.277 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccnc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1689979526 CRZGJIGZUSKSAQ-GOSISDBHSA-N 439.545 1.657 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)CC1CC1)[C@H]1CCS(=O)(=O)C1 1689980176 NHDPHUCFSOIZBE-INIZCTEOSA-N 442.607 1.027 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCOC1 1690095565 UXPOGKDEQPYJTL-IBGZPJMESA-N 435.322 1.945 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1690320196 NBJIORUNXRPUBO-UWJYYQICSA-N 437.541 1.800 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCOCC1 1690602128 ITWJCEJWWLJEOS-UHFFFAOYSA-N 440.548 1.510 30 10 IDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690642571 WNELDFYXLQKQSI-INIZCTEOSA-N 435.554 1.259 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690660831 PAODZZDFAUKBQZ-QZTJIDSGSA-N 431.562 1.746 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690670831 JYFOEPGMKYNRCJ-IEBWSBKVSA-N 432.569 1.511 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 1690680206 LYLYERVRCHATJD-MSOLQXFVSA-N 445.545 1.466 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1692657067 CYPBQPLLQQYZKE-JXFKEZNVSA-N 428.566 1.681 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1693867376 IUSYFKSGKLIKEL-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCS(C)(=O)=O 1694126995 IGDZSYIRKSEXGY-INIZCTEOSA-N 431.566 1.820 30 10 IDEE CN1C[C@@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1696874071 CJNULWCJVZSLOC-OALUTQOASA-N 431.497 1.190 30 10 IDEE COC1(C)CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697217919 OAKFIKRHGFKBQU-QZQOTICOSA-N 436.516 1.815 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1705560205 ILGTXICEBKZHPD-CEXWTWQISA-N 437.610 1.265 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566297 MHCCOWCLDQNAGJ-RTBURBONSA-N 449.621 1.531 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2cccn2)CC1 1705635012 OUSKLUSNDQJLOL-QFIPXVFZSA-N 427.553 1.361 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2COCCO2)CC1 1705642729 FTRRANOGGOOQCL-FQEVSTJZSA-N 427.505 1.036 30 10 IDEE C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1705684879 GDZSKTQOGJGHJG-UHFFFAOYSA-N 448.369 1.815 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1705903289 SBBCJQCKOAYBQC-QGZVFWFLSA-N 428.512 1.940 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS(=O)(=O)C1 1706301774 FXESKVNYXBVFFH-AWEZNQCLSA-N 430.534 1.761 30 10 IDEE CCCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1709712179 ZEPIASURHMOINS-FMQUCBEESA-N 426.525 1.902 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1712531062 QFEARUXCKONWMB-OPYAIIAOSA-N 438.548 1.801 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1Cc1ncn(C)n1 1722386785 KPJIWTBDKNWNEI-UHFFFAOYSA-N 440.305 1.869 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1722432569 YHQHFCQPGKUDRE-NHCUHLMSSA-N 432.613 1.878 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722458539 MQLKTEPSAFMFLR-FUHWJXTLSA-N 432.594 1.285 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=O)N(C)CC)CC1 1722561131 LRNNYCNMEPXSBQ-UHFFFAOYSA-N 446.577 1.830 30 10 IDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722629020 KMHXPSSTSCQMQX-NRFANRHFSA-N 431.562 1.872 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1)C1CC1 1722651845 ZSJAFHHMNKYNJG-LJQANCHMSA-N 447.561 1.823 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(C)(C)O 1722679841 NPVDWPWPRWILIX-UHFFFAOYSA-N 426.521 1.992 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](SC)C1 1722690313 HNFFCDGQOCURTP-HNNXBMFYSA-N 429.550 1.950 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1722701824 FUKFUTGWFNTYQE-JKSUJKDBSA-N 444.561 1.577 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1726674323 AVZHFPIWXHFQQF-HMWBCQRISA-N 425.518 1.808 30 10 IDEE CC/C=C\Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1727865033 UWNVGAQXYIPMOI-JXCVUKRWSA-N 441.561 1.740 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729305203 AOKSXYXNXBFWKW-QZTJIDSGSA-N 437.504 1.157 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1729637600 IGOIBGPHAKGQNZ-HSZRJFAPSA-N 437.548 1.941 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CCOc2ccccc2)nnc1N1CCOCC1 1731218188 IUYQAAPYHHDINX-QZQOTICOSA-N 438.488 1.263 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)c(OC)c1 1740640858 XVYIGXJVDCEBMP-MRXNPFEDSA-N 432.933 1.963 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1740686387 RWKBJTYNSFTBCV-BEFAXECRSA-N 438.575 1.235 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)SC)CC1 1740696105 MFMWIXNAUKVOLH-KRWDZBQOSA-N 439.651 1.857 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740790621 UHOPKWXOIQAHIO-UHFFFAOYSA-N 440.548 1.711 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1C(C)(C)C 1740995365 JFENHWOYIWKSMM-FQEVSTJZSA-N 436.582 1.662 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740999793 OOXBFRQEKSLQOC-UHFFFAOYSA-N 443.577 1.433 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(F)F)CCOC1 1741733561 XIPVZLIIIDUDAK-BEFAXECRSA-N 429.468 1.719 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1741994003 ZEXQGWFIXFGFLD-QHCPKHFHSA-N 435.532 1.692 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC 1748647158 JRDJJZVVGVYKAH-AWEZNQCLSA-N 431.566 1.483 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1748647255 LMNAQCDBSCXWSX-ZHRRBRCNSA-N 439.541 1.809 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1748847268 QGAJQLHULGZEOA-OAQYLSRUSA-N 448.552 1.546 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1749009992 YXVJQLYGGJAQRA-GOSISDBHSA-N 437.548 1.498 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749207715 QHDCFOFSLHWJFE-QHCPKHFHSA-N 446.596 1.639 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1749640246 HLYTYVBRAVPACB-UHFFFAOYSA-N 441.511 1.486 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749655090 COLSULOGBZKSDO-SFHVURJKSA-N 448.325 1.054 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749664738 YLZNQHIAIGVEPE-KRWDZBQOSA-N 435.536 1.481 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749676710 AMFBCHDYLGOCQS-GOSISDBHSA-N 449.559 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749721805 UMYDOKIBVIJYIV-KRWDZBQOSA-N 446.577 1.750 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCS(C)(=O)=O 1760111727 RYYDJAWMHSMQFL-AWEZNQCLSA-N 438.579 1.131 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1760195166 XSWJXWOGVZNJPC-CYBMUJFWSA-N 429.531 1.014 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOC2=O)cc1 1760206487 BBFFCQDYAUPTSS-UHFFFAOYSA-N 432.484 1.478 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760206914 QRRNFBREWUZINP-GOSISDBHSA-N 442.564 1.976 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)NC)CC1 1760315839 JNBNZGBDNCSULL-BZSNNMDCSA-N 436.557 1.445 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC)C1CC1 1760477248 UZHGEWBPBGFXTN-INIZCTEOSA-N 427.571 1.581 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760526698 RUFLUHQUQLNGLZ-JOCHJYFZSA-N 426.521 1.478 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(OC)c(O)c1 1760527326 SLIPMQFYKAPXHF-UHFFFAOYSA-N 439.520 1.793 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1scnc1C 1760548390 FMOXPAMDHFOPHF-UHFFFAOYSA-N 426.568 1.418 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762108046 NCXSXSNSYXBRRK-DQRAZIAOSA-N 436.516 1.930 30 10 IDEE CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1763996312 AXWQPYBKILMLMZ-UHFFFAOYSA-N 435.532 1.934 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1766682982 XMMYVESWKHCGPJ-ZWKOTPCHSA-N 442.545 1.308 30 10 IDEE COc1ccccc1O[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1770487247 FSEDBZAFGLFAIS-IRXDYDNUSA-N 440.504 1.719 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1771356315 FSSNBAHZYZCIPW-GOSISDBHSA-N 444.561 1.020 30 10 IDEE C#CC[C@H](F)C(=O)N(CCN1CCOCC1)c1nc2ccc(S(C)(=O)=O)cc2s1 1849091942 IMLOLBRRJPNTQD-HNNXBMFYSA-N 439.534 1.726 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1849210502 URUAUYHAMBTTGU-CQSZACIVSA-N 427.324 1.809 30 10 IDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)cc1 1854654971 DUFQLYCXXDEDSN-INIZCTEOSA-N 427.482 1.694 30 10 IDEE C=CCN1C[C@@H](C(=O)N(CCN2CCOCC2)Cc2ccc(OC)c(OC)c2)CC1=O 1873018669 WQBJWXNTXUYGDF-IBGZPJMESA-N 431.533 1.399 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3nc(OC)nc(N(C)C)n3)n[nH]2)c1C 1889805599 LMWXHSZABXQGJX-UHFFFAOYSA-N 425.497 1.656 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 1962318097 BJLRAUQXQHWXOZ-GJZGRUSLSA-N 433.324 1.898 30 10 IDEE N#Cc1cc(I)cc(I)c1S(N)(=O)=O 2055358277 BVEISPNRIUIOLX-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE Cc1cc(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc1C#CCO 2137596118 FSIXUMSAXBFAKY-UHFFFAOYSA-N 432.523 1.458 30 10 IDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2162568219 OOYVWZQSVXHOGE-QZTJIDSGSA-N 430.486 1.503 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2243403038 RARLSYGTHWSOHB-DLBZAZTESA-N 440.309 1.896 30 10 IDEE CC(C)(C)OC(=O)NCCONC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2247836853 JHGQTSVOMAPREJ-UHFFFAOYSA-N 425.266 1.706 30 10 IDEE Cc1nc(S(=O)(=O)N(CCN)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2247901681 NZLGESCJKFRAEF-UHFFFAOYSA-N 434.371 1.177 30 10 IDEE Cc1c(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255628191 DYZLRDUAPBGUMY-UHFFFAOYSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2255785271 SMHLPLQUGIOOQZ-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255825780 FWCMJDASKJEXQI-GUTXKFCHSA-N 432.330 1.694 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255839130 QTKXVHGKBIEVTP-CHWSQXEVSA-N 435.334 1.100 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255874145 JSNWJCPCRVWBMK-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256065370 XLWWCRJIMCNTCM-CQSZACIVSA-N 432.330 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2267260674 PGTAVYQIQPQJBO-ZIAGYGMSSA-N 449.361 1.538 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267543906 MJQPQYVHPQDEFT-CQSZACIVSA-N 449.361 1.586 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)O 2269050815 UNULORUTJGNGIZ-PBHICJAKSA-N 443.309 1.508 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)O 2269074818 SPVNLEYZOLHCIP-SFHVURJKSA-N 441.337 1.639 30 10 IDEE Cc1nn(C)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1B1OC(C)(C)C(C)(C)O1 2282583021 DKJCUPYUVHUHEX-LJQANCHMSA-N 449.364 1.878 30 10 IDEE C=C(Br)CS(=O)(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2307112497 MYGNMTFRNCITRU-UHFFFAOYSA-N 427.317 1.669 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2315527862 AJGGYBYDANDKKR-UONOGXRCSA-N 434.346 1.752 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 15445512 RIPAJDDPWGONAG-UHFFFAOYSA-N 427.486 1.213 30 10 IDEE CCc1nnc(CSc2nnc(N/N=C/c3cc(OC)c(OC)c(OC)c3)n2N)o1 20920213 JTCHWWBQTRZLFQ-UFWORHAWSA-N 434.482 1.701 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2ccccc2)n[nH]1 59887690 XLHBFCFPDIKJCH-SRZZPIQSSA-N 428.522 1.465 30 10 IDEE CN1/C(=C\C(=O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C(C)(C)c2ccccc21 106043665 HQNXQHUFJYRFBO-PGMHBOJBSA-N 448.589 1.062 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 409786443 IRIYROCGKVJGPP-SMDDNHRTSA-N 436.353 1.317 30 10 IDEE CCO[C@@H]1C[C@@](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)(C(=O)OC)C1(C)C 444564408 ZZTDYSIETPGBPT-OXQOHEQNSA-N 437.518 1.274 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 460547049 MBKYCDUSTGZKMT-HOTGVXAUSA-N 429.612 1.909 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(CCC)c2)c(=O)n1C[C@H]1CCCO1 478866660 HSLYHXFDYUCZIO-LJQANCHMSA-N 437.565 1.847 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccccc1C#N 481986095 ZZYGQLKJUAUEMI-UHFFFAOYSA-N 443.513 1.509 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C#N 489064971 ZQXFYLIFEFTJDJ-UHFFFAOYSA-N 440.934 1.610 30 10 IDEE N#C[C@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 499431756 PIKMDVBKMMWWDO-ROUUACIJSA-N 449.349 1.843 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 503643395 PLPXBXWDLGWDKV-SFHVURJKSA-N 425.316 1.951 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 508945548 MGKKGVKRZIKDSE-LJQANCHMSA-N 432.569 1.465 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CCC(=O)N(C)C)CC1 508998211 CLHOAUKCONMKPS-UHFFFAOYSA-N 428.537 1.749 30 10 IDEE CN(C)S(=O)(=O)n1ccnc1CN1CCN(c2c(C#N)cnc3ccccc23)CC1 516823174 SPHLBQXLOHWGPI-UHFFFAOYSA-N 425.518 1.280 30 10 IDEE Cn1cc(N2CCC[C@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 525012096 VSUCMEUNRUZJST-QFBILLFUSA-N 435.488 1.282 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c1 540697491 VMEWBMARVXYPGT-MRXNPFEDSA-N 427.526 1.529 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NC(C)C)CC1 549278198 SNRLKKMQHVPCIB-KRWDZBQOSA-N 426.587 1.154 30 10 IDEE Cc1cc(C)c(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(O)n1 549812582 SNLKVJIADHYEJK-UHFFFAOYSA-N 427.892 1.894 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3ccc4ccccc4n3)CC2)c1C#N 552517353 OZVRQMBVNDZVPA-UHFFFAOYSA-N 431.500 1.156 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 558994996 MFKSLTLZRVSJQD-INIZCTEOSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1 604663682 IKOHNUFYOLFGLH-KRWDZBQOSA-N 439.482 1.914 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1ccccc1Br 619436231 HOBSECQBYTWGNG-KDOFPFPSSA-N 449.305 1.746 30 10 IDEE CN(Cc1ccc(C#CCO)cc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703980964 NCZDOENGWZILEZ-UHFFFAOYSA-N 426.494 1.478 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cn1 730145026 UZTJTORWDHNLDC-HZPDHXFCSA-N 435.550 1.269 30 10 IDEE COc1ccc(N2CCN(CCCNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732700750 MKHDSFPRXHIBHC-OAQYLSRUSA-N 426.565 1.589 30 10 IDEE COc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C(F)(F)F)c1 737304689 AHSFOIZPNRWFAK-CCEZHUSRSA-N 426.351 1.295 30 10 IDEE C#CCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 741449108 KDOMYPCFQOVLIB-SFHVURJKSA-N 430.530 1.828 30 10 IDEE C#CCN(C(=O)c1n[nH]c2ccc(I)cc12)[C@@H]1CCS(=O)(=O)C1 742573009 JMNANCATLHKXFL-LLVKDONJSA-N 443.266 1.430 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)ccc1OC 752960092 CWXUAXSRIOWRSF-MCFFVMPBSA-N 443.504 1.896 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ncccc2Cl)C1 758312268 ADUBTWHHUGPTDP-AWEZNQCLSA-N 447.948 1.949 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@H]1CCCO1 761834672 DURXZRJMLBFXMD-CQSZACIVSA-N 442.566 1.228 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(Cc3ccon3)c2=O)cn1 765144061 DNTBUSXJRBKEFX-UHFFFAOYSA-N 425.514 1.671 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1OC 776721451 REXJZAFCUBNLTG-INIZCTEOSA-N 441.550 1.717 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3cccc(NS(C)(=O)=O)c3)CC2)o1 781918339 UECBMGWCHOYTNT-CQSZACIVSA-N 446.533 1.226 30 10 IDEE Cn1ncc(Br)c1/C=C/C(=O)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 782313676 OXTJCZVWJMTLAV-VOTSOKGWSA-N 442.291 1.832 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1nnn(C)n1 782817011 YSEFMSQIMZMDOW-INIZCTEOSA-N 444.565 1.108 30 10 IDEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(Br)c1 801691371 SAQLOTPRNTYFDK-LBPRGKRZSA-N 448.364 1.213 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccccc1 802262731 QUNPDROFNAVMLK-CRAIPNDOSA-N 429.550 1.113 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 803524041 MWZOSSPIOLKKQZ-FQEVSTJZSA-N 428.558 1.880 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 804446281 CKHZRAXIXIZPKA-LRVSTDGRSA-N 437.544 1.322 30 10 IDEE C#CCN(c1nnc(COc2ccc(Br)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 809867850 TZLPQVTUBFLDDX-CQSZACIVSA-N 439.335 1.783 30 10 IDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 918754937 LAMNHZZOCCQLJB-INIZCTEOSA-N 442.534 1.263 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256345 BFCKLWUNPLBSRX-KRWDZBQOSA-N 435.569 1.729 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)cc2)c1N 1140678526 DVUVUCWZVZRWEI-ZFWWWQNUSA-N 432.406 1.809 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)C1 1153865778 IHKOZWZBMCFTTQ-CMPLNLGQSA-N 428.898 1.627 30 10 IDEE Cc1nc2ccc(Br)cn2c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159489865 JWDOIARNCCYNHR-UHFFFAOYSA-N 429.234 1.236 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)cc1B1OC(C)(C)C(C)(C)O1 1159890561 JLRAHIUPSKNXBD-GOSISDBHSA-N 426.326 1.855 30 10 IDEE C#CCN(CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C(=O)OC(C)(C)C 1178039525 XFJLOBVKRAFACQ-UHFFFAOYSA-N 428.533 1.875 30 10 IDEE COC(=O)C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(C(F)(F)F)cc1 1180178833 FUPKUIODCQQHMT-AWEZNQCLSA-N 438.362 1.650 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1Br 1189839953 CGIMXDKJUVSGRB-ZDUSSCGKSA-N 448.364 1.509 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 1197069684 LALOZZJIQARSRV-UHFFFAOYSA-N 439.310 1.543 30 10 IDEE Cn1ccnc1[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)c(F)c1 1251505117 NFAQNRPNZZTWOX-MRXNPFEDSA-N 441.398 1.188 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)OC)c1 1286310331 CTZVLAJRFUHZHD-RDJZCZTQSA-N 445.545 1.271 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286393954 MOWLLGFJINUOSO-IEBWSBKVSA-N 445.589 1.454 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1286476626 AZSHQHTVFUMQGG-UHFFFAOYSA-N 429.528 1.893 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286602044 SGAGHUSLYNPVBD-UHFFFAOYSA-N 433.557 1.347 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286612969 ZXCOLRJQYDSCGU-QGZVFWFLSA-N 441.598 1.673 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1286805111 QTRNGDXIRIGLCA-UZLBHIALSA-N 440.566 1.289 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1288524483 DAQJYOZPKSYBRK-CVEARBPZSA-N 430.534 1.947 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F)c1cc[nH]n1 1294790677 LZNSYKDCIZZQMV-CQSZACIVSA-N 428.367 1.562 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)s1 1295347727 ODWRFPACYKDIIS-UHFFFAOYSA-N 445.519 1.201 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)CC3(C#N)CCOCC3)C2)C(=O)C1 1296661686 NHVFAWGXNQPGLU-KRWDZBQOSA-N 434.537 1.767 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1297696625 PGLLZIHBUNRQRX-SFHVURJKSA-N 433.534 1.493 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1298199375 UXDZBWNZNNVQQW-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1300356402 BVFLJRRYPYQXIB-SJORKVTESA-N 438.536 1.430 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1300381101 NZZWOHIROMIUQG-KRWDZBQOSA-N 428.924 1.990 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1300491291 GIOWZYTZYQVKPS-FUHWJXTLSA-N 445.520 1.352 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1300495105 CTNPPBFLMIOLMU-INIZCTEOSA-N 437.566 1.336 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc2c(c1)OCO2 1300666319 WYKKNRZUURIDFG-MRXNPFEDSA-N 427.461 1.123 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300727224 VHDJEDFEQXZMAK-QGZVFWFLSA-N 428.581 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2ncn(C)n2)CC1 1300728809 GGWQAGIXTLSYKJ-UHFFFAOYSA-N 446.559 1.596 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1300778145 NOYKPSTYBATYAT-XMSQKQJNSA-N 447.605 1.888 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300863214 KXMWSIXKIFZQQR-AYDFFVQHSA-N 440.342 1.626 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)CC1 1300876008 RAKKKBPNDQLWON-JQHSSLGASA-N 441.598 1.732 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)OC 1301028956 CGVTUOCSEFAGFT-GOSISDBHSA-N 428.493 1.092 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)OC)CC1 1301126311 SRCFTEPRTWLGHT-DLBZAZTESA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301507129 XLUFJULJAYBNAF-HOIFWPIMSA-N 426.521 1.339 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(C)=O)C1 1301528592 CIPOMOPNGHZWOW-RBUKOAKNSA-N 438.532 1.947 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1301680901 FQEIDYKIPNZYKG-SFHVURJKSA-N 442.545 1.310 30 10 IDEE CC(C)CN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1303196164 RHUDWIAUKADYTG-MRCUWXFGSA-N 427.553 1.535 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1303640086 HPCSYNZHPFBPOZ-CABCVRRESA-N 443.533 1.674 30 10 IDEE C#CCN(C(=O)c1nc(S(C)(=O)=O)ncc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1303656573 ZFSVCWGGPKDZME-UHFFFAOYSA-N 436.534 1.663 30 10 IDEE CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304272297 QPYSGLOLLKNLHV-XGHQBKJUSA-N 431.514 1.430 30 10 IDEE COCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cc1 1316225825 XNHXULMPJIHPFX-NRFANRHFSA-N 430.484 1.932 30 10 IDEE N#C[C@@H]1C(CN2CCN(C(=O)c3ccc(O)nc3)CC2)=CC(=O)n2c1nc1ccccc12 1336598588 DNAZULDNYGUGHO-QGZVFWFLSA-N 428.452 1.782 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358962866 YLCDNFTYUNLONR-MSOLQXFVSA-N 427.530 1.213 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1358991913 UAVZXADOVVWHRM-KRWDZBQOSA-N 432.484 1.070 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359057425 ZDLPDLOQNPCRDR-KRWDZBQOSA-N 441.623 1.304 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@H]1C 1359215980 NBRJTJUPAKWPPP-OAGGEKHMSA-N 429.612 1.907 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@@H]1C 1359257840 XURLUAUKADVBFS-CSODHUTKSA-N 449.577 1.621 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359292706 WFQPVLAIJGZNCN-NYHFZMIOSA-N 442.495 1.718 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359293679 WZDURBUVEBRJEZ-PMACEKPBSA-N 440.548 1.464 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(Cn2ccnn2)CC1 1359297162 HOVZTMMDULZSLK-UHFFFAOYSA-N 436.520 1.764 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1359299832 OAJXUDPAJHVGSL-VQTJNVASSA-N 447.543 1.862 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359300027 RREANPWPYDNCDX-OAHLLOKOSA-N 437.504 1.760 30 10 IDEE CCOC(=O)c1c(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C#N)cn1CCOC 1466104346 FYCZCJMBJUJOMV-MRXNPFEDSA-N 434.541 1.188 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 1466320085 PCWIHJILXZQQLI-HXUWFJFHSA-N 430.567 1.636 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1468015994 GPZUDVCFOYGFSQ-LSDHHAIUSA-N 443.447 1.081 30 10 IDEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OCC 1468126085 SWAAPHFKVQPZAI-KRWDZBQOSA-N 440.518 1.344 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3ncc(C(=O)OC)s3)C2)c1 1470502339 MYSHIMFQPUFKPM-HNNXBMFYSA-N 447.538 1.861 30 10 IDEE CN(C)CC#CCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1471630612 NMPHTDGYOMYAJE-OAHLLOKOSA-N 440.285 1.039 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C1 1478404672 UAYWEYBTIRECAP-QWRGUYRKSA-N 428.433 1.022 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1)[C@H]1CCOC1 1503431029 AXOCBYLFWXMSOS-IBGZPJMESA-N 440.548 1.801 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1504263283 GALYSHUKZOCAIN-AUUYWEPGSA-N 433.538 1.470 30 10 IDEE COCCCOc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1504836070 RGEUFBGBYAIBSG-AZUAARDMSA-N 427.505 1.974 30 10 IDEE CSCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1505231979 MHFOJZKGVFULJZ-JOUJLLDFSA-N 447.565 1.333 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1507631528 QJQYYPSMHVJCJG-KRWDZBQOSA-N 430.578 1.774 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1507642493 KBHRBXLDQOSSMP-QGZVFWFLSA-N 439.491 1.912 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1OC 1507645283 ZDYPQPGIOASNFR-UYAOXDASSA-N 432.488 1.045 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1507690169 QNEAMJBWCSBWLA-JOCHJYFZSA-N 425.537 1.717 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@]2(O)CCOC2)n1 1507716007 FRHHLQXKFMRHOB-QHCPKHFHSA-N 436.516 1.579 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1508076864 IEQMOJAJOUMGCH-LJQANCHMSA-N 441.580 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1csc(CC)n1 1508085876 IELZZVLJRRQZPJ-UHFFFAOYSA-N 443.533 1.963 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](OC)C1 1508135673 KXOMWGBSOMMQOX-INIZCTEOSA-N 434.518 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1508140928 KLQAXGCVJFQWNZ-QZTJIDSGSA-N 447.561 1.826 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1508146721 BOGVVCJZGSHHOB-HNNXBMFYSA-N 429.550 1.807 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1509957416 GMXDCHCCNFDTNQ-VQIMIIECSA-N 447.547 1.919 30 10 IDEE CN(C)S(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C#N)CC1 1517023614 LUZNYKYAQSFJCK-UHFFFAOYSA-N 438.504 1.778 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CC1 1519330081 PDSYPLOQRQZYAU-GOSISDBHSA-N 440.548 1.721 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cccc(S(C)(=O)=O)c2)ccc1F 1521510503 CHZKRDZDRQFKSS-UHFFFAOYSA-N 426.491 1.624 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2nc(Cl)c(C#N)s2)C1 1525770371 FSYJRMONOCYNGX-JDNHERCYSA-N 446.938 1.888 30 10 IDEE CCn1c(=O)c2ccccc2n(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1=O 1535297338 KFSOSUFYIJGJDV-UHFFFAOYSA-N 432.480 1.877 30 10 IDEE C#CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)C1CCN(C)CC1 1538519263 BXMIRODBYJFQOA-UHFFFAOYSA-N 433.574 1.846 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1539013627 JDOHSNITAMOFDK-CVEARBPZSA-N 425.518 1.267 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1539131972 ASBMCCBORFCODC-OYRHEFFESA-N 441.624 1.809 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCC(C)CC1 1539179233 NXWCENQQSFSUQY-OHTSDLOESA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 1539212829 YCMYKLAQZZYNGW-MRXNPFEDSA-N 436.509 1.110 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539219401 CEVNIPCVISPUAJ-FIKGOQFSSA-N 448.545 1.647 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1539232063 ZBCRRPUDALHKMD-GOSISDBHSA-N 432.546 1.693 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Oc2ccccc2)CC1 1539430090 HBBBVDQIBYINRE-MSOLQXFVSA-N 446.577 1.111 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1539474334 OXJHVUILYZDTRY-UHFFFAOYSA-N 443.515 1.464 30 10 IDEE C=C(Cl)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539779295 TXDTZNPWZQKPGS-IAGOWNOFSA-N 428.924 1.720 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1540865824 TULYLUVDHZQMDK-UHFFFAOYSA-N 432.488 1.742 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC(C)CC2)C1 1540884051 JGJUGTZSWDBGJL-ZWKOTPCHSA-N 440.614 1.402 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1541057215 PDVYTGRVVFFDEE-YGCDDZCOSA-N 441.536 1.425 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1541111251 HTRXWICTIXWHMZ-QRQCRPRQSA-N 437.504 1.593 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1541233275 HKBVLDIGNMHPMK-NGFNCXNUSA-N 431.522 1.201 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)s1 1543066234 BAKCOPRRFUKFGY-AWEZNQCLSA-N 435.575 1.699 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1547423640 FFWBYCDLDSJVRB-SFHVURJKSA-N 439.564 1.842 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(C#N)CC2)c1 1554499722 GIGIWQZQFILECY-UHFFFAOYSA-N 425.518 1.970 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1555420614 DDVZWBWDQVHWCD-HSZRJFAPSA-N 448.531 1.721 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1555803547 RQNGBGIXQBWRAF-CVEARBPZSA-N 431.474 1.366 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1 1555808471 AQZDIOZKWFPEEG-IFXJQAMLSA-N 436.488 1.808 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CCO2 1584241459 IAPWVXGHMHINSA-BQIYRTECSA-N 434.514 1.995 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1588030659 ZHDJYMKNDZBBEL-CDVVCGDMSA-N 428.518 1.518 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1588058774 CBXSNTFJWIFJAR-GOSISDBHSA-N 448.593 1.385 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1593735425 GEZZGEDCCAPRMS-UHFFFAOYSA-N 425.472 1.584 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1593845957 UUVVNSYZXFMWMA-UHFFFAOYSA-N 449.306 1.081 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)C[C@@H]1C 1594797825 IOWSKXZZWQFYLW-INIZCTEOSA-N 427.505 1.976 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](CO)(C(F)(F)F)C3)CC2)cc1 1595223991 CJCQZHRTKRORPJ-GOSISDBHSA-N 445.463 1.732 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCN1CCCC1 1608580020 VFJBCRZHEIOVIL-HXUWFJFHSA-N 442.612 1.859 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 1616345612 AYBCZJKSNHKJPS-VZCXRCSSSA-N 447.923 1.340 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1619239341 AZAJTNGVKQVNMV-SFTDATJTSA-N 441.532 1.996 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1c(C)nn(C)c1C 1620019324 MGSVDTUHRXFYHH-HKUYNNGSSA-N 442.568 1.577 30 10 IDEE N#Cc1cn(CCC(=O)N(CCO)Cc2cc(Br)cs2)c(=O)nc1O 1625105375 FZKCJUJKVADLPV-UHFFFAOYSA-N 427.280 1.056 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)C1=O 1626972195 AEIFVJFWCBVZNT-HNNXBMFYSA-N 432.864 1.038 30 10 IDEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 1630295953 SKONPPWJEXFZSP-LJQANCHMSA-N 434.562 1.041 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1634302478 QPSSFSAOAYMSCY-HZPDHXFCSA-N 444.960 1.072 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ccc(F)cc2)C1=O 1638102490 OSZSGJJJEABHFN-KRWDZBQOSA-N 444.488 1.566 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 1642404191 LVZCFQDUCNLGPV-OAHLLOKOSA-N 428.514 1.917 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@@H](C)COC 1643802799 KNXKCBOFVHFLQT-SFHVURJKSA-N 435.590 1.531 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C2(O)CCOCC2)CC1 1645851258 OJZWIRBTQLJRAB-QGZVFWFLSA-N 449.573 1.722 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1648790306 DVXCEWVOKKITTN-MRXNPFEDSA-N 425.445 1.470 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1 1650846240 ONBPXRABRYROBP-UHFFFAOYSA-N 440.884 1.668 30 10 IDEE Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1653073440 ZLOOYCJSBBTHDB-CSODHUTKSA-N 433.530 1.958 30 10 IDEE C#CCN(C[C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1658460960 MEMRDXXCTQHZIY-IEBWSBKVSA-N 438.594 1.534 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1676705372 UTNKBWNINYJUAQ-UHFFFAOYSA-N 443.573 1.912 30 10 IDEE C#C[C@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccccc1 1682352121 GRUBHFANEFOFOV-LEWJYISDSA-N 434.544 1.926 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@]34COCCN3C(=O)OC4)CC2)c1 1687373343 WBYXXWFERHVWJC-OAQYLSRUSA-N 427.461 1.140 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1689987695 ASVJBVKHQWFTEV-HNNXBMFYSA-N 449.533 1.059 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1690073866 JIQQGBYEBQXKPS-UHFFFAOYSA-N 448.531 1.218 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)CC2CC2)CC1 1690131257 WPOPSLZURLZSLQ-UHFFFAOYSA-N 441.601 1.643 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1690237292 XIHWVJJAIOSSFD-KXBFYZLASA-N 441.536 1.054 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1690326930 HYOAGCZBTVOPOF-KGLIPLIRSA-N 434.932 1.673 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690511134 QQBBZIVVRVTRCH-NQIIRXRSSA-N 443.596 1.889 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1691017095 YQGDPXQJCBRFIT-VTJXTGGHSA-N 444.561 1.553 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCCO 1691334755 GWSMQGBOLXLRGQ-XUVXKRRUSA-N 446.596 1.772 30 10 IDEE COCCN(C)CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1698032504 APIRBJUJXXBVPJ-KRWDZBQOSA-N 441.584 1.531 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1705491268 AJHIUJNKQXUSEK-IIBYNOLFSA-N 427.578 1.778 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccsc2)CC1 1705532698 QENMDIOPNMYZHF-GOSISDBHSA-N 433.603 1.977 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1705567828 AMJGEPMFPAYDJA-QGZVFWFLSA-N 448.545 1.507 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1705604084 FBVQABPRHHAQHR-AWEZNQCLSA-N 428.522 1.181 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCS1(=O)=O 1705841676 BNCAUDOVKHNFIL-UHFFFAOYSA-N 446.581 1.110 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1705844103 VYUJUIFKKIGUOA-HNNXBMFYSA-N 443.570 1.643 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1705865895 AIDNLZARYNPUFA-BEFAXECRSA-N 438.575 1.586 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705879910 OYPXZUGBFKMNJQ-XMSQKQJNSA-N 433.553 1.881 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2)CC1 1705894678 HEPNNUMYVHFIQL-UHFFFAOYSA-N 425.537 1.435 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccs2)CC1 1705895202 XJMSNJCAWRMHPI-UHFFFAOYSA-N 443.577 1.200 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1nncn1C 1705898448 MDCPXTYJCQBKEY-AWEZNQCLSA-N 427.900 1.766 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705904321 MCUIOCOZJQIYBS-QGZVFWFLSA-N 431.585 1.751 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2)C1 1705914670 DHTBLFAGFUOQLZ-QAPCUYQASA-N 435.550 1.727 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1706747501 NJLHSYPWHYRPCN-HOCLYGCPSA-N 438.579 1.654 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1711589936 BLFHOLYORKOACV-AUUYWEPGSA-N 436.538 1.797 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1712455283 RXERFOOTSVOMJE-GHTZIAJQSA-N 429.525 1.773 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722303798 RNCHOZOIZUSDIN-INIZCTEOSA-N 448.545 1.263 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1722361002 DGTNYKKYLFNSQZ-NQIIRXRSSA-N 430.530 1.377 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722368135 ZBNBOZDAJGTJQS-AEFFLSMTSA-N 440.566 1.055 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)C 1722406263 WPVXYKFKCZBGMK-UHFFFAOYSA-N 445.593 1.778 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(OCC(N)=O)CC1 1722504573 GSQNHVSKIZKCTI-KXBFYZLASA-N 427.509 1.187 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1722700377 GUVFMBMEUMNWJE-UHFFFAOYSA-N 434.548 1.988 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722702311 MZFCBFYHBZCQNB-SFHVURJKSA-N 440.548 1.833 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC(=O)N1C 1726722541 IYSGWXYMBRDEHU-AOMKIAJQSA-N 440.504 1.201 30 10 IDEE CC[S@@](=O)CCn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729231052 JGDDWTODYNXCFO-AOYOOGHLSA-N 448.549 1.306 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)c1 1729734792 BTAJOMRJAOSIAR-HNNXBMFYSA-N 445.549 1.095 30 10 IDEE COCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730664901 NWFWALVUDXQUDC-GOSISDBHSA-N 438.536 1.919 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(C(=O)OC)CC1 1730840809 LAEBRSUENJQUNN-MGPUTAFESA-N 438.504 1.922 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1740549058 DGHSJMPUDFKHBN-HKUYNNGSSA-N 442.589 1.990 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1740609619 MDZRQDMURHGYET-UHFFFAOYSA-N 425.555 1.507 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740718881 CZVSGNBWDGJGRY-ROUUACIJSA-N 425.558 1.959 30 10 IDEE C#CCSCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723451 QCXOIADZYSJNKJ-NHCUHLMSSA-N 433.578 1.402 30 10 IDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740743400 VLILIHLHFMYVRY-UHFFFAOYSA-N 437.342 1.335 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1740762679 VMHTWBPBDRAIAK-SQNIBIBYSA-N 441.598 1.827 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CCC2)CC1 1740833751 XLJYUZHSTMCBLQ-PGGUUEOZSA-N 429.612 1.592 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740889256 YFXIHWAMJCMRHJ-GOSISDBHSA-N 428.541 1.288 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)cc2)C1 1740980036 NEVMFXHUPZQGCZ-MOPGFXCFSA-N 438.532 1.749 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1741729098 MTJIFDWYEJVXJN-OPAMFIHVSA-N 442.520 1.923 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1741797857 BSCCQLHEBGHAEA-NSHDSACASA-N 446.313 1.927 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1741802067 FKTLLAPIIYVPQF-CVEARBPZSA-N 440.570 1.166 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1747658164 VEGVVSROFLQWEW-QZQOTICOSA-N 433.472 1.854 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1cccs1 1748948526 QBHNRWMHZLYJKU-NRFANRHFSA-N 440.529 1.981 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1748999002 FGHNJQZEOVWHRU-UNMCSNQZSA-N 439.560 1.972 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2cc[nH]n2)CC1 1749324036 NRGWJFYWJQKQSS-UHFFFAOYSA-N 435.492 1.481 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1749427355 PZZJOMFBKWJTPE-JKSUJKDBSA-N 429.612 1.909 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1749707177 AZNCEXBRWIYNRB-CEXWTWQISA-N 432.569 1.367 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1749816830 GSPRCBVPDRWGCD-SFHVURJKSA-N 425.541 1.085 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1749832935 XKCCUYXRTAQNNS-DYESRHJHSA-N 432.525 1.105 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1752388795 TXEZLOQSVHJQIU-IRXDYDNUSA-N 447.561 1.882 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC=CCO2)c1 1760128657 OROBAMOZHTWWQN-OALUTQOASA-N 434.500 1.631 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCOCC1 1760222667 UPJYSPVBCHBHFJ-PMACEKPBSA-N 430.549 1.908 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCOCC2)CC1 1760261530 SXDOQRNZYGEZCQ-UHFFFAOYSA-N 432.594 1.068 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760431381 NOQPUVDHQBETRG-UHFFFAOYSA-N 428.541 1.884 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760527643 DEEFKUGOSSFMOH-GOEBONIOSA-N 428.468 1.013 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2-n2cccn2)C1 1760533598 JDHCPKTWLUJZPW-GOSISDBHSA-N 436.520 1.827 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760541136 WEFPPSSEUTZTOG-SJORKVTESA-N 434.566 1.489 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCC(O)CC2)cs1 1762284300 VFLDHEWBIVGMQZ-HXUWFJFHSA-N 433.557 1.923 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CCO1 1762471755 CMHJUNKWLYGZQR-HXUWFJFHSA-N 432.550 1.713 30 10 IDEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1763385947 GCUGLXMPHPTWLD-UWJYYQICSA-N 445.545 1.657 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763817827 MGAHUHILUFDLLJ-RKBFZXSSSA-N 444.536 1.702 30 10 IDEE CCCCN(C)C(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1764032913 KZAHPOHKQADULK-VXPUYCOJSA-N 443.552 1.588 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1766648982 WEMBSVNDKCETIO-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1CCCO 1768633261 DNKKYDHWZPBJCZ-UXHICEINSA-N 437.548 1.584 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C[C@H](C)O1 1769490805 FYFGVROBAXGHQI-YSBVSIELSA-N 429.546 1.968 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1770751284 FFHZTLNVEWAYTJ-HRCADAONSA-N 426.468 1.214 30 10 IDEE CCCC(=O)O[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1848437848 MNVQDRXNQLFAHB-NWBVEEGRSA-N 446.540 1.879 30 10 IDEE CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1856536188 KICIIGDNOSCNCG-PKOBYXMFSA-N 429.542 1.776 30 10 IDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCC(CO)CC3)ncnc21 1873560992 QAENAYBOKOYUQD-UHFFFAOYSA-N 426.565 1.992 30 10 IDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562828 VKTNRQKFNCFKFH-GASCZTMLSA-N 426.521 1.568 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874436100 MHILIIJQXASZBB-UFWORHAWSA-N 436.450 1.456 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 1880104820 OEHFOOXPITUABR-CABCVRRESA-N 448.329 1.787 30 10 IDEE C#CCOCCOCC[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882549974 TWXZOQRPELNQQQ-CQGGRAHPSA-N 425.503 1.560 30 10 IDEE CCN=c1nc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(Br)c[nH]1 1914902348 YJRZLGNGBPFFPJ-OAHLLOKOSA-N 429.322 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2010402943 YCSGGTNRZHMKCS-AWEZNQCLSA-N 428.310 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CCC(NCc2occc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)CC1 2101337505 OJLYUYQLWDPRJB-UHFFFAOYSA-N 449.357 1.923 30 10 IDEE Cc1csc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1C#CCO 2157002913 CGIVQYQIAJGJPZ-UHFFFAOYSA-N 446.550 1.896 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255625908 YMDNHGWPVPRFSU-OKILXGFUSA-N 432.330 1.553 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629743 AHDHNTXRHURBFS-ZIAGYGMSSA-N 434.346 1.942 30 10 IDEE CCn1cc(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255814879 FRERQLZSGDEHGA-KGLIPLIRSA-N 434.346 1.845 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@H]1NC(=O)C(F)(F)F 2255826171 LWRICBALPHZLFR-GHMZBOCLSA-N 430.236 1.238 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C(=O)OC(C)(C)C 2267112414 GIIPARYEPSWFPP-KBPBESRZSA-N 449.361 1.584 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267499497 USSKIERMQGIQRB-SQWLQELKSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267519873 JTJQFXJVPGYIIV-IIAWOOMASA-N 446.357 1.942 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]21 2267547473 LGJSJJCODDHZQD-BZUAXINKSA-N 444.341 1.904 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(Cc2ccccc2)C1 2267602310 KLVGBELGMKTZGN-AEFFLSMTSA-N 439.369 1.755 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@H](C3OCCO3)C2)OC1(C)C 2267727925 ZSXFENDCUGXLDC-ZDUSSCGKSA-N 429.369 1.572 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2267805967 QFHQBNHLKCSPKL-CVEARBPZSA-N 448.325 1.713 30 10 IDEE Cc1nc(NC(=O)C2(CNC(=O)OC(C)(C)C)COC2)ncc1B1OC(C)(C)C(C)(C)O1 2268714559 AYRHFZMSFKIKRI-UHFFFAOYSA-N 448.329 1.564 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2272636684 NQDMNBJPIYTJFG-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE COc1ccc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)c(Br)c1OC 2323028786 YCVRORLZGVDWBA-UHFFFAOYSA-N 443.279 1.606 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2327829833 DXJINNKUYDOGTK-ZDUSSCGKSA-N 445.505 1.760 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nccc(C)c1B1OC(C)(C)C(C)(C)O1 2339945425 XARCAIQWISYBMX-OAHLLOKOSA-N 449.357 1.959 30 10 IDEE C/C(=N/OCC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCO2 15934697 LZJPWKQUPMIMHG-IFUVNARDSA-N 427.413 1.825 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 29780942 BQVDYHFGINZDSW-MRXNPFEDSA-N 432.502 1.854 30 10 IDEE C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COS(C)(=O)=O 254517806 TZEYKLAAPSZABE-SFJDDKPZSA-N 438.542 1.542 30 10 IDEE CN[C@@](C)(C#N)CCn1cnc(I)c1I 308799514 JWAPCUIQNBOBAD-SECBINFHSA-N 430.031 1.984 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)CCN2C(=O)COc3cc(Br)ccc32)C1=O 410178469 MNABIAWSBZPRMN-OAHLLOKOSA-N 436.306 1.810 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 410202078 OVTNKWGKHCTKIB-CGTJXYLNSA-N 433.534 1.071 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 460928670 CEPOLVXSFUONSK-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)OC)C1=O 461293424 RKEKBVIKWQBGON-WBVHZDCISA-N 427.457 1.131 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C2CC2)c1=O 478862915 XLPQVUWWJRCRAW-OAHLLOKOSA-N 439.493 1.960 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC1 479183764 AKNIRCVKGZZSSM-JOCHJYFZSA-N 434.544 1.728 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c(C#N)cn1CCOC 481486984 ARQPGTJVKIMWPB-INIZCTEOSA-N 443.508 1.707 30 10 IDEE C[C@@H]1CC[C@@](CO)(N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 495227929 CGBIQIBKXNZXOH-OPAMFIHVSA-N 427.505 1.938 30 10 IDEE Cc1cc(C)c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(O)n1 503952971 LWAYPXHQGCSKMW-UHFFFAOYSA-N 429.502 1.492 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)CC1 522308838 JAVSIMXJSXQCBB-QGZVFWFLSA-N 435.956 1.557 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 530892802 BNYZKVFGNHJOQY-CQSZACIVSA-N 425.535 1.894 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)o1 531684355 SLZIFCOBQLZOEW-MRXNPFEDSA-N 428.510 1.700 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)CCCC1 545385947 ATBZGKIEXWSMGO-UHFFFAOYSA-N 428.580 1.432 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 549668229 RGFNMVTZTGYEMZ-SFHVURJKSA-N 435.550 1.665 30 10 IDEE COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566769303 WEODJCQYANQZSO-UHFFFAOYSA-N 437.424 1.317 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 588182023 HZRLPGDEUOLSSZ-SFHVURJKSA-N 447.538 1.052 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@](O)(C(F)(F)F)C3)CC2)cc1 610163766 LDGCXMWLASAUNW-QGZVFWFLSA-N 431.436 1.485 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cc1 730138456 LVKCRYRMSSZFDD-QGZVFWFLSA-N 431.562 1.273 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 732424199 GNKHGLPHERVVLZ-FOCLMDBBSA-N 435.366 1.934 30 10 IDEE CCOC(=O)[C@H](CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742708028 FCXWANURCDEFOQ-MAUKXSAKSA-N 443.525 1.967 30 10 IDEE N#CCn1cc(NC(=O)C(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cn1 746394950 IMXCZVMWKCMDGV-KRWDZBQOSA-N 426.864 1.973 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 765908224 YRVWCMQVLHWENL-ZVZYQTTQSA-N 433.486 1.169 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(Cl)ccc1Br 766476987 DUATWHGJZHEEMD-BUHFOSPRSA-N 441.669 1.684 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3OC)CC(=O)N2C)cc1 766980924 BTVZWPPGKSHJOL-OXJNMPFZSA-N 443.481 1.600 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)n1 788863956 KHLZPSPUYCOCDC-JOCHJYFZSA-N 425.533 1.748 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1=O 804670773 CEYKJFKWUXCTBV-ZWKOTPCHSA-N 444.532 1.614 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 809923070 YADGSAXDCOSFEJ-QZTJIDSGSA-N 443.552 1.949 30 10 IDEE NCC/N=C(/Nc1ccc2c(c1)OCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1088652346 HHVGDHJRIHJZIG-UHFFFAOYSA-N 425.489 1.688 30 10 IDEE C[C@H](Sc1nc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1)C(N)=O 1153865486 GBLMHAUVMYXJJM-DMDPSCGWSA-N 439.563 1.527 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)C[C@H]1CS(=O)(=O)C2 1176432892 RLNRWRUZUGDUHJ-AOMKIAJQSA-N 438.509 1.748 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC)c1cccc2ccccc12)c1cc[nH]n1 1177969200 MZTGVGIQJGNUIV-IBGZPJMESA-N 438.440 1.877 30 10 IDEE C#CCC1(O)CCN(C(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1221901476 OHXGDJKTQVZWMZ-UHFFFAOYSA-N 429.517 1.868 30 10 IDEE N#C[C@]1(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CCCOC1 1265124288 YUTQJIMHKYDWDI-LJQANCHMSA-N 436.306 1.819 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1286272664 DDVXTYZNSNAOIU-IRXDYDNUSA-N 446.577 1.231 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C(C)=O)CC1 1286275154 PTMLVHFTCUHLOQ-CQSZACIVSA-N 448.369 1.658 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(=O)NCC=C)c1 1286311500 MXNBRFOBMUVZDZ-SFHVURJKSA-N 436.516 1.531 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1286349320 HTWSCXAKGVMXPA-INIZCTEOSA-N 437.566 1.651 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1286397829 QFEGXWANDANKAP-OAHLLOKOSA-N 433.509 1.295 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1286408922 GVDNRJICPAZRNF-SFHVURJKSA-N 449.483 1.010 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1286416507 NWSLQZCRGHLZOZ-QZTJIDSGSA-N 448.589 1.209 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cn[nH]c1 1286438615 GKQXOQVNNVTEJT-UHFFFAOYSA-N 436.545 1.667 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(C)cccc2C)CC1 1286471066 GVWOLJDOZSXCMV-LJQANCHMSA-N 444.605 1.503 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286538032 LITDNMSCHSJDBO-QEJZJMRPSA-N 439.358 1.295 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286574141 VBUCXWKPZHTMEN-HSZRJFAPSA-N 437.548 1.661 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286621853 JNTMDMDGQQODKO-HOTGVXAUSA-N 427.933 1.582 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286703284 HWTDYQABPHGBFG-UHFFFAOYSA-N 435.598 1.966 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286711605 NJSUSOPIZYKFGK-GVDBMIGSSA-N 428.555 1.013 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cc[nH]n1 1286719155 WHOHYECYBSNBOK-UHFFFAOYSA-N 429.506 1.124 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1286793075 QPJSRTLIRUNMNM-UHFFFAOYSA-N 442.520 1.576 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 1286795582 JWBGSFCOMDIXEC-IBGZPJMESA-N 438.532 1.901 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1288997299 SGRNTWRXERMVIW-IAGOWNOFSA-N 442.545 1.355 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](C)CN1CCOCC1 1290858050 FPTLUHGIOBNGSF-KRWDZBQOSA-N 427.528 1.892 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(NC(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296611776 IDLKCGJHODZIQW-NRFANRHFSA-N 428.493 1.548 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1300268625 UGIBHCANMCZOMF-MRXNPFEDSA-N 429.546 1.618 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC(O)CC1 1300303190 GYTOZSXIFYGIGH-INIZCTEOSA-N 435.532 1.899 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(=O)N2CCOCC2)c1 1300332642 KCYSQGTUWHLBMK-UHFFFAOYSA-N 436.516 1.461 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(N)=O)CC1 1300358464 VYWXYOACWIPXPJ-UHFFFAOYSA-N 443.577 1.743 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1300421442 GVDMOJZDGDRGJL-GOSISDBHSA-N 442.589 1.842 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1300556688 LVQJZFQOFVXGJS-SFHVURJKSA-N 442.589 1.774 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCCC2)CC1 1300721881 BUKSIQNVQZFYPL-FQEVSTJZSA-N 428.581 1.971 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1300862588 AQVYLUQFCPWNDN-BJLQDIEVSA-N 444.580 1.990 30 10 IDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301333763 ASGJGKSQWOOCJU-BQFCYCMXSA-N 439.582 1.438 30 10 IDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCSCC1 1357657378 WVQOPHPXANUIMO-UHFFFAOYSA-N 437.543 1.328 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1358903758 ITKDCBBCVKJGFN-UHFFFAOYSA-N 438.598 1.472 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1358920427 YVLLKNVJCPPOBR-KBPBESRZSA-N 436.504 1.375 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1358959449 JCQRZXLWGXTBDU-MRXNPFEDSA-N 442.520 1.801 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1358978795 UUWTYTBDLYJLJG-SFTDATJTSA-N 439.585 1.864 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359061164 TXBKOHDFQUIQAX-PKOBYXMFSA-N 436.541 1.810 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359142173 BLCISENEKBORHE-MRXNPFEDSA-N 442.948 1.329 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2ccccc2OC)CC1 1359297811 CQZZQOHUMQCNMM-UHFFFAOYSA-N 447.543 1.973 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1360367727 KRBBVFWPQKYOHE-IGGDJGDASA-N 432.525 1.558 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1360480617 DEDSZDSYEOKDAX-DOTOQJQBSA-N 428.518 1.902 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C(=O)/C=C/c3ccc(F)cc3)ncnc1-2 1443586305 WLMBJYCKWITYIF-ZZAOSWJRSA-N 447.268 1.449 30 10 IDEE C#Cc1cccc(CNC(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 1457867392 UKCCFRREAZTHQR-UHFFFAOYSA-N 427.526 1.745 30 10 IDEE COc1ncc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1C#N 1462894953 GSAUOPVVTDYOQW-UHFFFAOYSA-N 445.501 1.301 30 10 IDEE COCCOC1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 1470034082 WCAPTXDIOLGUCZ-IBGZPJMESA-N 430.505 1.171 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOc3cc(C(=O)OC)ccc3C2)c1 1475775406 PCECALZWWKLYSV-UHFFFAOYSA-N 430.482 1.972 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCOC)CCOC1 1502717078 AWVHTRROYPUXBF-OAQYLSRUSA-N 427.509 1.170 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507559889 YIAVZGZKIYKYKI-OAQYLSRUSA-N 446.559 1.831 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(N)=O)C1 1507560287 GNTDUCYIJZTUNI-INIZCTEOSA-N 443.577 1.743 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1507722505 YUZADCCFZOZPEX-VAMGGRTRSA-N 448.637 1.751 30 10 IDEE C=C(Cl)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507863490 HIGXZAJARNRPSN-UHFFFAOYSA-N 425.946 1.461 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1508091636 VYJDLYRTFSFFAV-SFHVURJKSA-N 443.596 1.371 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1508140571 OSAQPBCTDDDNBJ-OAHLLOKOSA-N 428.522 1.063 30 10 IDEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1520560948 XJOZQSHDUPEAKP-YJBOKZPZSA-N 442.611 1.494 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 1523933035 IXZAJWRKIJAUAC-IRXDYDNUSA-N 428.489 1.513 30 10 IDEE CC(C)(C)OC(=O)[C@@]1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1538410487 UFMQPWNJLZPLLD-KSFYIVLOSA-N 442.472 1.380 30 10 IDEE CN(CCCC(=O)N1CCC2(CC1)CC(=O)C=CO2)C1=NS(=O)(=O)c2ccccc21 1538886864 FPHCVOLTZNGCAT-UHFFFAOYSA-N 431.514 1.712 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC 1539175866 CIJJSQHGIHWCPT-MRXNPFEDSA-N 439.582 1.897 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539231202 TWNGGOBSWZHZGS-SFHVURJKSA-N 433.578 1.608 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1539239278 JGFITMQJPFVXCM-MSOLQXFVSA-N 441.557 1.918 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOCC1 1539289484 NDVKADOXLZDCTQ-UHFFFAOYSA-N 426.546 1.065 30 10 IDEE C#CCSCCn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539531581 XNYHRJBNQRNEHX-NRFANRHFSA-N 435.594 1.777 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539634583 BNRARJDTIXMAJA-YLJYHZDGSA-N 425.537 1.642 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1540865494 ISTSVLXRODSFCG-MRXNPFEDSA-N 448.549 1.153 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2CCCC[C@@H]2C1 1540904349 MHZWCDHHFVQBHF-LJQANCHMSA-N 430.578 1.539 30 10 IDEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1541087583 LKJWZFIMLKMMPG-MRXNPFEDSA-N 446.519 1.243 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1547319899 DBHGGISZOOVWBD-IAGOWNOFSA-N 440.460 1.321 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1555499906 IEIZJOLXNDJRLJ-UHFFFAOYSA-N 439.520 1.759 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1555581364 GIBGHXOEHDAZSK-FQEVSTJZSA-N 426.521 1.391 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1555700018 MTTYBFACUYESAE-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1 1557658931 RIIMFELNMLTIDQ-QLJPJBMISA-N 427.404 1.492 30 10 IDEE C[C@H](CC(=O)NCCCONC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1558597735 IXGQSGAQESNVMV-CYBMUJFWSA-N 440.522 1.466 30 10 IDEE C=CC[C@@H]1CCN1C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1558703930 CXPHLJKBYYFWTR-GOSISDBHSA-N 437.500 1.231 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)[C@H]1CCC[C@H]1C#N 1560060309 KFBYRNGLXDVXNC-KSSFIOAISA-N 442.944 1.936 30 10 IDEE C#CCC1(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CCOCC1 1561938682 YCZINBYDHQDQBX-MOPGFXCFSA-N 436.530 1.514 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C(N)=O)nc1 1587579505 HESRYKMNQDIUGA-CQSZACIVSA-N 438.513 1.349 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587678357 SABQXQGDDPBQJX-JXFKEZNVSA-N 434.587 1.886 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1588030603 YEBBFRYMXBNURX-KRWDZBQOSA-N 435.594 1.509 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588058856 DPQSQKGBVNXLML-CVEARBPZSA-N 439.582 1.771 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1588214266 OFARQAUWPAOJEI-SFHVURJKSA-N 442.531 1.699 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2oc(CC)nc2C)CC1 1588752455 SNUQKIRODUTHQL-QHCPKHFHSA-N 442.564 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cn[nH]c2)CC1 1588885735 YQQUHCFNTTUFCC-UHFFFAOYSA-N 440.552 1.128 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2c(C)noc2C)CC1 1588929816 HGSFNWYVISVTLV-LJQANCHMSA-N 440.548 1.985 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1589036468 IMIAMWCVFCNYBW-UHFFFAOYSA-N 435.575 1.402 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1594963460 SWGKNWNYTXLBSA-LJQANCHMSA-N 444.561 1.957 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1595239524 LYIKGLVHEZZPTN-UHFFFAOYSA-N 435.532 1.773 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](C)C1 1595537504 RYQDLAPXVUTKHE-JKSUJKDBSA-N 435.532 1.977 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1595551637 TVHGQVULQVTVFU-MRXNPFEDSA-N 429.521 1.850 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1595556276 QNENSQLGWNCVAH-UHFFFAOYSA-N 440.548 1.433 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1595594127 KLYWIWYDKRNQOK-MRXNPFEDSA-N 440.483 1.768 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)s1 1596011955 BGTRPEWHVBAURE-ZWKOTPCHSA-N 441.619 1.639 30 10 IDEE Cc1ccc(C(=O)NCc2csc(-c3ccn(C)n3)n2)cc1S(=O)(=O)NCC#N 1596019619 UULHIHPNRWTATL-UHFFFAOYSA-N 430.515 1.584 30 10 IDEE C=CCC1(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCOCC1 1597576916 ORNWIXNYIMATLX-MRXNPFEDSA-N 430.567 1.900 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)OCc3cn(C[C@@H]4CCOC4)nn3)CC2=O)cc1Cl 1597905302 HHNMLSLQFOJVMQ-ZFWWWQNUSA-N 429.864 1.936 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)OC(C)(C)C)n1 1612502235 FJQKZNWEOHCCHP-KRWDZBQOSA-N 444.540 1.783 30 10 IDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1612597212 SRRWHIQEIZOHQJ-LJQANCHMSA-N 448.506 1.663 30 10 IDEE C#CCN(C(=O)/C=C/c1cc(Br)c(O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1626434192 FYOJQEZMKKMQDM-IHVVCDCBSA-N 428.304 1.825 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)CCOC1 1629774622 QQPANCIXLZTZCV-QHCPKHFHSA-N 439.468 1.820 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)nn1 1636330784 MOGGUOLINZABTQ-KRWDZBQOSA-N 447.540 1.217 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC/C=C\CNC(=O)OC(C)(C)C)s1 1637212245 MEDYKSPOFIMESJ-SREVYHEPSA-N 429.564 1.952 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCS(=O)(=O)C[C@@H]3c3cnn(C)c3)cc2C1=O 1638032690 PZKPZKDYGHCPKS-GOSISDBHSA-N 442.497 1.204 30 10 IDEE CN1C[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1641930951 PFMMQWWWEFTKPN-GOSISDBHSA-N 427.505 1.737 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)OC1(C)C 1643827208 BLHNLURREFEDOE-ZBFHGGJFSA-N 440.371 1.107 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)CC2(C#N)CCC2)CC1 1644875526 YPLUORXIEQLAPF-INIZCTEOSA-N 439.534 1.434 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@](C)(CO)Cn1cnc2ccccc21 1647941791 JKJDHGZUZIUIGZ-BTYIYWSLSA-N 441.513 1.142 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CCC#N)CC3)CC2)cc1 1648962855 BOLHCQSQRVJMOJ-UHFFFAOYSA-N 432.546 1.348 30 10 IDEE Cn1c(=O)[nH]c(N2CC[C@@H](Cc3cccc(I)c3)C2)c(C#N)c1=O 1651084585 NYAUKLWUJJEKSR-LBPRGKRZSA-N 436.253 1.619 30 10 IDEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1659364852 VGWOWGOUYAFRDI-ROUUACIJSA-N 428.499 1.419 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)nc2F)n1 1663144367 HBFGUPYVRVBLPM-UHFFFAOYSA-N 431.287 1.650 30 10 IDEE CC(C)C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)CC(=O)OC(C)(C)C 1687133665 JDRQPDNCYIDWAU-FTRWYGJKSA-N 427.567 1.960 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CCC1 1689959642 IKBMOISKUFSWQT-GDLZYMKVSA-N 434.591 1.609 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSc2ccccc2)CC1 1690123951 ANLIGXGFKCZFMP-GOSISDBHSA-N 445.614 1.728 30 10 IDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1N1CCOCC1 1690600791 DUBFDQKRNBCZRV-UHFFFAOYSA-N 437.548 1.859 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690673813 FPGKTHYGZOFXJG-LJQANCHMSA-N 443.621 1.449 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690717938 VNZSPVRACUOSJD-SJORKVTESA-N 448.501 1.669 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1695983640 IPGMBAIWUOQBRR-MGPWXQLLSA-N 431.497 1.082 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1697714960 OQHIYQQYXOZCQQ-KRWDZBQOSA-N 430.484 1.533 30 10 IDEE C[S@](=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCC1 1698321330 FMLLKCFIJTXIKX-OLRZCDJHSA-N 439.607 1.611 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1705565209 UBWAIHATMJUZBP-SJORKVTESA-N 448.545 1.242 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1705604889 WESUHPDZPLMVHY-INIZCTEOSA-N 441.561 1.797 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705635123 RTMWIZMGMPHGOD-VQTJNVASSA-N 432.613 1.878 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 1705641911 YTXLCXYEHMQMEJ-UHFFFAOYSA-N 436.560 1.101 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCCN(C)S(=O)(=O)CC 1705675792 BGMOBOWGHUBWFT-OAQYLSRUSA-N 430.578 1.928 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(O)cc2)CC1 1705781868 JMUIIGIJVYDSMZ-IBGZPJMESA-N 447.561 1.767 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCCN2CCCC2)CC1 1705903504 XBWLXBJJZBBTKH-LJQANCHMSA-N 446.596 1.556 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705906252 XYPZQDUGQQKHEY-UHFFFAOYSA-N 449.490 1.558 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705906607 KCJJGLRRVPCWTR-IBGZPJMESA-N 435.532 1.644 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1706072589 FOQBVBWVFRTYOS-JLTOFOAXSA-N 431.566 1.995 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NCC(F)F)CCOC1 1706669559 QETVRYQHPGJBOJ-FQEVSTJZSA-N 440.495 1.830 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1708275320 BRAZHUQHKUUVFX-QVKFZJNVSA-N 445.545 1.370 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1708275322 BRAZHUQHKUUVFX-YCRPNKLZSA-N 445.545 1.370 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C)n(C)c1=O 1710698423 WZMKYFOPPCEKGP-UHFFFAOYSA-N 435.488 1.405 30 10 IDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1712416188 CMUPFLPNYOSHPX-UHFFFAOYSA-N 428.537 1.922 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCO[C@@H]1C 1712453087 ALKWLIDEWDAHFZ-QVKFZJNVSA-N 429.477 1.580 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCO[C@H]2CCOC2)c1 1712878906 MOTPJPICYSGDBC-SFHVURJKSA-N 431.518 1.247 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCOCC2)CCO1 1712883186 LYJGWTCMIJYTPT-QGZVFWFLSA-N 441.492 1.240 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1722291167 CZVFBQQTFYOPLQ-ROUUACIJSA-N 449.559 1.854 30 10 IDEE C#CCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722339588 WNAQWQIWQJXVRP-FGZHOGPDSA-N 444.536 1.158 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722340477 ACXBBBJTRDZHCH-AUSIDOKSSA-N 445.564 1.560 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1722362090 RZCDNRWVADEYNM-MRXNPFEDSA-N 443.533 1.212 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1722368004 OGJGZBKMICVCTF-GOSISDBHSA-N 433.578 1.575 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)cn1 1722379540 SMNPLKHJZBTWEQ-UHFFFAOYSA-N 437.504 1.893 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722428690 IYFJGSALKVZKFL-AZUAARDMSA-N 440.548 1.536 30 10 IDEE C=C(C)COCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OCC)CCOC1 1722538694 SUZNCPOOISDSOR-JOCHJYFZSA-N 433.553 1.629 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(CC)S(C)(=O)=O)CC1 1722573454 YQHWWWULPWQRSF-UHFFFAOYSA-N 426.587 1.490 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1722582305 HFDSUTUGMXGQKZ-HUUCEWRRSA-N 426.587 1.453 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1722630094 VJLYOWSDDDQSQB-GOSISDBHSA-N 448.593 1.890 30 10 IDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CCC1 1724040710 JJJWOHMOXXKSBI-KRWDZBQOSA-N 436.582 1.931 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H](C(F)F)N1CCOCC1 1726388372 DAMWMJYXEKOVSK-QGZVFWFLSA-N 433.463 1.478 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCS(C)(=O)=O 1727422813 GPWZDLYEEJNARN-QGZVFWFLSA-N 433.534 1.583 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1729231194 HEOKXQCFYHTYCU-OLILMLBXSA-N 447.586 1.600 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1730628836 AYIHZEVQURAZPE-YWZLYKJASA-N 435.550 1.474 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1740543385 OAERUUSMLUEHCY-MRXNPFEDSA-N 427.505 1.669 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740577856 RDOGOLSCKIYYDT-CVEARBPZSA-N 426.546 1.788 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1740610283 VYSSZYZFSMAUJV-HOTGVXAUSA-N 439.582 1.799 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740621281 KXUKIAKIJGELPN-CQSZACIVSA-N 431.547 1.303 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1740622142 VLQWHFALAMNTKR-OAHLLOKOSA-N 425.461 1.596 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740786371 BCMPFJBKMFFPDC-INIZCTEOSA-N 425.555 1.120 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740849129 ZODTUHDPNYPEFR-KRWDZBQOSA-N 429.569 1.232 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CCC2)CC1 1740954757 FVVJLXKZNRZJJR-UHFFFAOYSA-N 440.548 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)(C)C)CC1 1740958698 FZXJUYINOSYZQK-UHFFFAOYSA-N 429.525 1.229 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC)C1 1740986239 UFNLGXQJNZYHSZ-BBWFWOEESA-N 448.568 1.966 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@H]1C 1740988701 NBQJNQCGDUOAFE-OAHLLOKOSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740991494 XSBXETNTBFBYMP-ZWKOTPCHSA-N 434.566 1.297 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1741801944 HYDYNJUTCCZUOM-KBXCAEBGSA-N 436.476 1.682 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1748759352 HOKVDUAJJBRTGI-IBGZPJMESA-N 442.545 1.660 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NCc2ccccc2)CC1 1748990263 GLTMSBUUYNTMNU-OAQYLSRUSA-N 436.560 1.981 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1749064641 DYFRQWGTTFUONR-HSZRJFAPSA-N 433.516 1.755 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCC(=O)NC 1749119934 YNKTXQGULZGGNJ-LPHOPBHVSA-N 441.536 1.869 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@@H](C)C2)CC1 1749304213 XJQTULAAIUDZFO-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1749505895 CQJCSIHITCRVFW-HNNXBMFYSA-N 430.475 1.834 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1749734952 OMMINPWIERNZIV-UHFFFAOYSA-N 433.578 1.914 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCOCC2)n1 1749832233 AHDIGNKCKTVATK-LJQANCHMSA-N 441.536 1.776 30 10 IDEE NC(=O)CC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750400741 OZRPBQJALCUHIW-ZZEZOPTASA-N 427.509 1.164 30 10 IDEE CC(C)C(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1750563595 KFKGIXJLFRAHRP-OAHLLOKOSA-N 445.549 1.161 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(OC)CCOC2)n1 1760253279 XTUZUIKEDFGSSS-JOCHJYFZSA-N 430.553 1.864 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(C)=O)CC1 1760279638 HQSXQHOUOMLMOL-UHFFFAOYSA-N 444.561 1.725 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC)C1 1760313740 PQQHDTCRASCVJB-LNLFQRSKSA-N 442.520 1.758 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760320721 ZCZSBJKJQLAENA-ZCNNSNEGSA-N 436.516 1.749 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1760520763 YUVNYDWOWKANHI-UHFFFAOYSA-N 449.490 1.744 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760525807 SDLSHICHOGULPT-JOCHJYFZSA-N 436.520 1.052 30 10 IDEE CC(C)(C)Cc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760745582 AUGUQRFDSHWNDS-TWQPLMFFSA-N 441.536 1.108 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN(C)S(=O)(=O)CC 1764919418 IAUIYOUJXHERTG-UHFFFAOYSA-N 446.581 1.105 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1768546279 ZVCXCLNISCZICY-LJQANCHMSA-N 426.546 1.702 30 10 IDEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F 1769600344 JPPNFWYOSCWDCK-HZPDHXFCSA-N 449.437 1.998 30 10 IDEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1770920446 LPYOMCCDLJKMIM-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE Cn1c(N2CCN(C(=O)c3cccc([C@H](C#N)c4ccccc4)n3)CC2)cc(=O)n(C)c1=O 1851917394 JHKYTXNITYNAKG-GOSISDBHSA-N 444.495 1.097 30 10 IDEE N#Cc1cc2c(cc1CC(=O)O[C@@H]1C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C1)OCO2 1853241635 ZMNCUVCNRUTJLX-RTBURBONSA-N 447.447 1.385 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CCC#N)[C@@H](C)C3=O)C2)cc1 1856199709 XDZROTFYUTVAES-ZWKOTPCHSA-N 432.546 1.369 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CC2=O)cc1 1857248552 UIHQSFXRYSWWCX-QGZVFWFLSA-N 432.546 1.551 30 10 IDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc2nc(Cc3ccc(OC)cc3)[nH]c2c1 1860971936 ZYGKIRWQZAGQJP-LJQANCHMSA-N 449.511 1.828 30 10 IDEE N#CCc1[nH]nc(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c1C#N 1866094698 UFPFYWOBXVCOOF-UHFFFAOYSA-N 427.218 1.735 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869932284 ZAYMKGMWGRNGFK-ZWKOTPCHSA-N 430.530 1.628 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2C)c(=O)cc1CN(CCO)CCO 1870752562 HAGLCBXEWBOHJP-UHFFFAOYSA-N 429.517 1.455 30 10 IDEE C[C@H](c1cscc1C#CCN)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130029056 BAFCNABUYDVOBJ-CQSZACIVSA-N 431.539 1.677 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2COC[C@H]2CNC(=O)OC(C)(C)C)C1 2247556347 GBLIDVKAXHPLCO-YZEMWESSSA-N 437.537 1.949 30 10 IDEE Cc1nc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247901924 QIKPFBIFNKYDSB-GFCCVEGCSA-N 441.359 1.366 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248401357 HYQBYGFMDIWFDG-NEPJUHHUSA-N 438.359 1.891 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)[nH]n2)OC1(C)C 2255825939 IBTIKSSYOLKCFQ-UHFFFAOYSA-N 430.236 1.240 30 10 IDEE COCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CN(C(=O)OC(C)(C)C)C1 2255847517 QUKUAQBLWFAMRH-UHFFFAOYSA-N 435.330 1.680 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2255880115 ZUWCQEKYOQVPSQ-DLBZAZTESA-N 432.326 1.696 30 10 IDEE Cc1c(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266994125 QIPIERNTFWWJCP-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@H]3C2)n1 2267115580 JSIGBFNNDPKGLF-ROUUACIJSA-N 437.353 1.461 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267126113 JXENSZBCBNASHK-JKSUJKDBSA-N 446.357 1.943 30 10 IDEE CC1(C)OB([C@H]2C[C@H](C(=O)N3C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C3)C2)OC1(C)C 2267190034 IYSPKKZBJGGNHW-ZDEQEGDKSA-N 447.263 1.240 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2267270123 JORGFWMYVFMOMA-ZSEKCTLFSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267482171 ZQGIDKOODFROKP-JOCHJYFZSA-N 447.341 1.483 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267589921 HVEVWTBDGXBGFL-SFHVURJKSA-N 438.337 1.407 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2267668895 MEYWTMQCEAMDRQ-UHFFFAOYSA-N 448.325 1.403 30 10 IDEE Cc1nc(NC(=O)[C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268653251 LEUHCFQPILGFII-HUUCEWRRSA-N 448.329 1.705 30 10 IDEE C[C@@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)N1CC(NC(=O)OC(C)(C)C)C1 2268718126 OTQZGHDFTVYSRI-AWEZNQCLSA-N 446.357 1.917 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286007677 KPBFIKSHCDHDOW-KRWDZBQOSA-N 440.518 1.187 30 10 IDEE O=c1c(Br)c(NN=Cc2ccccc2O)cnn1[C@H]1CCS(=O)(=O)C1 2322659706 UIVWEKQRAVEURJ-NSHDSACASA-N 427.280 1.517 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2334257809 OPTQMOCIKKZJCM-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE CC1(C)OB(c2ccc(CN3C[C@@H]4[C@H](C3)CS4(=O)=O)cc2Br)OC1(C)C 2377289494 AVUDFSOGXOYEGI-CZUORRHYSA-N 442.184 1.977 30 10 IDEE Nn1c(N/N=C/c2ccc(O)cc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20528375 VETYSBNCUNKKEF-DJKKODMXSA-N 428.434 1.783 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 29983447 QKQDDUGLNMOHCO-UHFFFAOYSA-N 430.512 1.994 30 10 IDEE C#CCN(CC(=O)Nc1ccccc1I)[C@H]1CCS(=O)(=O)C1 111045988 MKFDPPPYQVDMRQ-LBPRGKRZSA-N 432.283 1.352 30 10 IDEE C[C@@](O)(C(F)F)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO 199959540 HJOKUNVOXGDMLS-GCJKJVERSA-N 427.407 1.292 30 10 IDEE in-vitro N#Cc1ccc(C2(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 435834639 JPWFEUVYQPFWAS-UHFFFAOYSA-N 425.510 1.927 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 443424351 UXJRZNLKNWYZDJ-UHFFFAOYSA-N 431.499 1.464 30 10 IDEE CCCNC(=O)CN1CCC(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446492131 FYZQGUBVZOVJAG-UHFFFAOYSA-N 442.564 1.933 30 10 IDEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)CC1 465480660 WWOTUFXUDGRMDM-UXHICEINSA-N 433.560 1.764 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 497519899 FHMUQEBESVAKJT-AWEZNQCLSA-N 431.470 1.691 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@](C)(CO)c2ccc(Br)cc2)CC1 511541272 KRAWJSICNCBHFS-QUCCMNQESA-N 437.382 1.939 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 522567236 OZVYPQNFTHADHT-NRFANRHFSA-N 436.516 1.607 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 559649152 KEBPTVJTJDPDBB-QRWLVFNGSA-N 436.915 1.445 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cnn(-c4ccncc4)c3)CC2)cc1 610477869 DEBOTULFJHWNJS-UHFFFAOYSA-N 437.485 1.677 30 10 IDEE C[C@@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)o1 610487925 WRQIFECBBUGAIH-XYPHTWIQSA-N 439.537 1.587 30 10 IDEE COc1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(OC)n1 615025047 GSUKDFLXWNAHOT-UHFFFAOYSA-N 425.445 1.810 30 10 IDEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664040 KGUICBAKHRHVHQ-OASLSGKSSA-N 448.614 1.897 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)c1 735497070 CDWPPDPEXXDARG-UHFFFAOYSA-N 441.509 1.889 30 10 IDEE COC(=O)c1ccc(N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)[C@H](C)C2)cc1 746192722 FXIOYSNMOOTQHV-WGLILOHCSA-N 426.473 1.427 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 751925700 SSXOGSTXUDCPHR-UKRRQHHQSA-N 426.502 1.880 30 10 IDEE C#CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1)[C@@H]1CCS(=O)(=O)C1 760848692 JKPNPDOONHWHLY-OAHLLOKOSA-N 447.538 1.601 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(C[C@H]3CCCO3)c2=O)c1 763436635 WEJFIBKYGCJFTG-MRXNPFEDSA-N 437.496 1.952 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)OCC[C@@H]2C1 765262594 KTGGRYPENSQGPK-OAHLLOKOSA-N 434.518 1.339 30 10 IDEE CN1CCO[C@H]([C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccc(Cl)cc2)C1 766035830 DMZSFJHYZKCKIT-GCSNTBLBSA-N 432.908 1.744 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)C1=O 767531590 HHKBWYBZNQQJII-IBGZPJMESA-N 441.554 1.591 30 10 IDEE C#CCN(C(=O)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 774181367 UVLULLFNSORSKO-WMZOPIPTSA-N 435.546 1.437 30 10 IDEE C[C@@H](CC(=O)NC1(C(=O)Nc2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 779350149 AELHSPLXBCPSGB-AWEZNQCLSA-N 426.498 1.791 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 788813633 ONFPWHLTIFZDFW-FQEVSTJZSA-N 438.528 1.809 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 788890495 LADOBHZTCKSANK-KRWDZBQOSA-N 447.561 1.686 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1Cl 790163244 QGQGDBBOEKYFRJ-SNVBAGLBSA-N 426.741 1.914 30 10 IDEE C[C@H](CC(=O)N(C)C1CCN(c2cnccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 790215891 UTAYWTWYEYBPHM-OAHLLOKOSA-N 442.545 1.421 30 10 IDEE C=CC[C@]1(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCCN1C(=O)OC(C)(C)C 790244426 HSNYTRGEKQPNLZ-JOCHJYFZSA-N 443.504 1.917 30 10 IDEE CCOC(=O)C1(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCOCC1 795318035 STPOBKIPSZPUBB-XLNRJJMWSA-N 437.518 1.798 30 10 IDEE COc1cc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)c(OC)cc1Br 796861932 SNUPLOFOYPNWES-UHFFFAOYSA-N 426.248 1.852 30 10 IDEE CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 798229276 NVNUQKVXNRHJFC-QHCPKHFHSA-N 434.500 1.899 30 10 IDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812441898 ILLRZBPBDNVWGM-QZTJIDSGSA-N 429.546 1.844 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N(C)C)CC1 842181113 VJNAKTSAGXINLW-QGZVFWFLSA-N 434.562 1.467 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@H]1CCCO1 917767613 AWGBFNRNXBVXHB-MRXNPFEDSA-N 428.558 1.768 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2ccccc2)n[nH]1 1084636983 XLHBFCFPDIKJCH-UHFFFAOYSA-N 428.522 1.465 30 10 IDEE COc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)n1 1136509117 CIYXUKQAPUBWJO-HNNXBMFYSA-N 440.891 1.712 30 10 IDEE COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1136671878 UKDDFIPWSJLRIQ-KDDVOAFDSA-N 444.488 1.904 30 10 IDEE N#CC1(NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCOCC1 1136820366 SXYBPWZWSPUHKH-UHFFFAOYSA-N 425.816 1.826 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)C1 1138067815 NTSLPLSTOXQTAX-GDRCOGEISA-N 431.537 1.836 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1141189725 KEEZISUBSJIMQN-DOTOQJQBSA-N 426.498 1.300 30 10 IDEE CN(C)C1CCN(C(=O)CC2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 1147645824 SFYMWSLNSPNAHN-GHVJWSGMSA-N 445.564 1.084 30 10 IDEE C=CCN1CCC(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1186643406 LPBWDDYTEQEFEZ-WOJBJXKFSA-N 437.562 1.592 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 1192715316 OBNBLZFZDBDVNK-UHFFFAOYSA-N 426.560 1.400 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CC(C(N)=O)=NO1)[C@@H]1CCOc2ccc(Br)cc21 1248642724 IOAGLXRXCQHCIJ-SWLSCSKDSA-N 435.278 1.548 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2)NC(=O)NC1=O 1251866714 REAGIEIPDKPAQO-HYBUGGRVSA-N 446.511 1.661 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)c1 1252034691 DVJAWPFBYUMTQQ-UHFFFAOYSA-N 432.527 1.691 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1254482730 UPABILSEVBHGKR-GOSISDBHSA-N 429.502 1.346 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286298738 OHGIAUGGDYGSCI-RDGPPVDQSA-N 429.544 1.976 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1286467286 SOCSURBXBFWTGB-QGZVFWFLSA-N 434.537 1.919 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1nnc2n1CCCCC2 1286468579 BONXZQGMXZLYSZ-UHFFFAOYSA-N 440.552 1.047 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2ccco2)CC1 1286473626 VFPKMODRMUXWQT-GOTSBHOMSA-N 443.548 1.575 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286510637 YWYWKDWRAZCDGE-OAHLLOKOSA-N 430.509 1.576 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 1286786967 NGEQXVJJVSQWGS-UHFFFAOYSA-N 434.548 1.924 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)C1 1286804133 LUYZEVZZJCRVLY-DRSNIGMVSA-N 433.553 1.626 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1286968122 IZYZKMUAEYMEPC-NXEZZACHSA-N 426.287 1.764 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc2c(cc1OC)C[C@H](C)O2)[C@H]1CCS(=O)(=O)C1 1300484016 NYFOVJOLTBBCBB-KSSFIOAISA-N 430.530 1.594 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1300554865 KSOGLEYQCDBNIE-GOSISDBHSA-N 428.500 1.847 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)c2ccccc2)CC1 1300682402 HESXAAVCJZKSSQ-RTBURBONSA-N 444.605 1.837 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@H]2CO)CC1 1300703650 NUKJSGAZKNSINA-QFIPXVFZSA-N 437.592 1.256 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300778300 RQFFSUCFIYOSBY-MRXNPFEDSA-N 427.596 1.356 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC(C)C 1301044193 GLKPKFNYBJJTRT-OAHLLOKOSA-N 435.978 1.472 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301137717 WQBMFDVPJLRJAF-MRXNPFEDSA-N 440.614 1.784 30 10 IDEE Cn1cnnc1[C@@H](CO)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1301183810 TZNLBUJIDHUYBS-QGZVFWFLSA-N 436.497 1.881 30 10 IDEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301208349 SZCBWKHCNKYFNY-UHFFFAOYSA-N 442.520 1.320 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301238557 ATHWAGVJDBYUEU-HNNXBMFYSA-N 434.522 1.141 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C 1301374636 CWLPSGZWJDPAQJ-UHFFFAOYSA-N 442.549 1.551 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301508546 NMQYYILCHINRAL-GOSISDBHSA-N 430.578 1.391 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCOC2)C1 1301566587 REAHFNFWRHRRSF-FOIQADDNSA-N 433.534 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301577301 MRUWSEMDSJBPPQ-NRFANRHFSA-N 445.545 1.271 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1301593304 LQFAMHMOXPHHBD-PKOBYXMFSA-N 437.610 1.869 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1301652634 NISIHKUBIHYDNF-AUSIDOKSSA-N 438.532 1.927 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccncc1 1302092411 IZLTXHMNFLNPHL-FXAWDEMLSA-N 425.537 1.816 30 10 IDEE O=C(c1ccc(=O)n(-c2ccccc2F)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892497 ICEZPEFVAOSNQL-UHFFFAOYSA-N 436.399 1.889 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1309495339 GXVCZDXXEDGQFS-CVEARBPZSA-N 431.436 1.795 30 10 IDEE C=CCC1(NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1310011737 HDINNVQLXVQNAM-UHFFFAOYSA-N 439.534 1.963 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC[C@H]2CO)CCO1 1316540578 MAZHVZSOIXAJCL-SFTDATJTSA-N 442.539 1.974 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(S(C)(=O)=O)oc2C)c1 1356458603 YOOHVJUHMGSPDY-UHFFFAOYSA-N 430.482 1.478 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)C(C)(C)C 1358896678 JRYLKBNRRNUGEM-AWEZNQCLSA-N 437.591 1.941 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2CCN(CC)CC2)c1 1358903129 LVWIFZPZOHZFTP-UHFFFAOYSA-N 437.592 1.924 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccn2)CCC1 1358948518 DVCYRDUTYTYEGV-QGZVFWFLSA-N 444.561 1.197 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCOC 1358976061 OYDUNMQYPVIOGU-OAQYLSRUSA-N 444.561 1.099 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359243241 KLMHBOXAMYTVKV-HNNXBMFYSA-N 430.475 1.676 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1Cc2ccccc2C1 1359332160 QMJVSZJSEVVMTI-SFHVURJKSA-N 429.546 1.434 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359630924 JICSBIMEYHTOHQ-OALUTQOASA-N 435.532 1.694 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C2[C@H]3CCC[C@@H]23)n1CCN/C(O)=C1\N=CC=CC1=O 1360163633 LGKQTBGHAREWFY-HDBBGWRMSA-N 427.509 1.177 30 10 IDEE CN1C[C@@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)N(C(=O)OC(C)(C)C)CC1=O 1436539197 CTQOVQCHEJYHTC-HOTGVXAUSA-N 429.477 1.011 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](N3CCOCC3)CC2)s1 1449365930 XNARWSDHYGJJLR-MRXNPFEDSA-N 427.592 1.468 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1450274963 XMNYJSBANOCABJ-DOMZBBRYSA-N 442.285 1.937 30 10 IDEE C=CCCOCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451446063 LRIAASRDIGDDAR-ROUUACIJSA-N 436.553 1.973 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1452941438 FYZJKFNHILMNKG-GOSISDBHSA-N 435.527 1.780 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 1456040672 JAAASBNBURJMRX-MRXNPFEDSA-N 438.513 1.485 30 10 IDEE N#Cc1cccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1Br 1458804329 CXFFEAPZTDTVLP-AWEZNQCLSA-N 442.335 1.587 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 1463941144 XVOHNTMLHLKQAB-UHFFFAOYSA-N 433.549 1.734 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 1465769522 SILLUPJXJKBMEN-STEAMIEHSA-N 426.494 1.021 30 10 IDEE CN(C[C@H]1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1)S(C)(=O)=O 1467929276 SUFFJXSFRHTYMT-HZPDHXFCSA-N 430.571 1.704 30 10 IDEE C#Cc1ccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1470231291 REEJKUAKSBMPMO-UHFFFAOYSA-N 427.482 1.311 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1OC 1472222251 JOEFHMJIGUIULS-JSCCBJFQSA-N 448.541 1.601 30 10 IDEE Cn1cc(CNS(=O)(=O)c2cnn(C)c2Br)c(-c2ccc(C#N)cc2)n1 1475186006 HDZZINDHQDQBGT-UHFFFAOYSA-N 435.307 1.933 30 10 IDEE N#Cc1cc(F)ccc1S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1475294008 HBMZXQWQCVNCHY-ZBFHGGJFSA-N 449.426 1.934 30 10 IDEE CN1CCC(Oc2ccc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)CC1 1478613911 QFHVYLJFSRREKY-LAUBAEHRSA-N 432.546 1.239 30 10 IDEE Cc1cc(C)n(CC2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1492759094 VWLDUKHPGUQZNR-QZQOTICOSA-N 438.536 1.843 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CCOCC1 1503102335 GCVCIYGWINPTBV-UHFFFAOYSA-N 444.511 1.693 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1504529644 ACZLZDRMCIRYQM-QGZVFWFLSA-N 426.546 1.865 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC2)CC1 1504938506 SKFUXSDWTFBEMC-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CS(=O)(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)CC1 1505118012 ATPZKRKZWWIOGZ-UHFFFAOYSA-N 443.533 1.633 30 10 IDEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507618974 FGJZVOIGMSHEQY-SFHVURJKSA-N 440.978 1.843 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1507643496 WBTMMPHWTUYWNT-SJORKVTESA-N 427.530 1.527 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 1508092107 XYSRNMMNCYUMBZ-OAHLLOKOSA-N 446.581 1.562 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1508516711 QKIACLOLGZAPKS-UHFFFAOYSA-N 427.509 1.663 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C 1510954559 CXAJTIKEYLYYMK-UTKZUKDTSA-N 447.561 1.762 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1518381148 DWOGOIRJYRAPNH-GOSISDBHSA-N 431.518 1.507 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCN(C)C1 1519166015 DRXQBFGGCMFEPR-HSZRJFAPSA-N 435.532 1.926 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@H]1C 1519221637 AVZBXXPNCNWPBU-RTBURBONSA-N 441.580 1.836 30 10 IDEE CSCC[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1520312998 DPQOHHBINNRPJN-LTDXQCTPSA-N 434.566 1.886 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)ccc1F 1529568139 IVXBWTJXBFMUEM-FRFSOERESA-N 439.509 1.887 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1539215605 GXBOKNUPZLXUGG-MRXNPFEDSA-N 430.559 1.610 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1539257352 IGADUCHIPOUDRI-ZWKOTPCHSA-N 430.512 1.937 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1539445787 GGAXZUAJIJWQPD-PGRDOPGGSA-N 426.521 1.102 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC)cc2)CC1 1539447509 SZTDGVIWESIYMB-LJQANCHMSA-N 443.573 1.382 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540863132 PWZJZVLVOXCEGY-OLMNPRSZSA-N 433.484 1.709 30 10 IDEE CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1554177263 ZNECICOQTZBIBC-BWVDKLOVSA-N 438.488 1.998 30 10 IDEE Cn1cc([C@@H]2CSCCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1558592633 GIERDKNGXVKIKM-INIZCTEOSA-N 433.559 1.556 30 10 IDEE NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1559038961 FDYXTZFHWANCEH-SFHVURJKSA-N 429.473 1.411 30 10 IDEE CN(CCc1nccc(C(F)(F)F)n1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1559044258 FPRPVPBNTONTSE-UHFFFAOYSA-N 427.408 1.346 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 1561697803 ZVCXFAKBTCWEHM-WFASDCNBSA-N 433.452 1.823 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)cc(I)c2)CC1 1565590212 RJSKCFHIEISAJY-UHFFFAOYSA-N 439.297 1.497 30 10 IDEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1570762138 OVNSZBRSZDFKCJ-LJQANCHMSA-N 443.525 1.937 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1588612482 HCOOKCWKZAJASB-IBGZPJMESA-N 441.532 1.963 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccnc(OC2CCOCC2)c1 1588628297 GNXZPTLIJQBUEY-UHFFFAOYSA-N 449.515 1.822 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OCC)CCCC2)CC1 1588811251 DIRPWLGSUVPOKJ-SFHVURJKSA-N 435.594 1.285 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1589059951 LGSNIXOBUGAGCI-QGZVFWFLSA-N 445.593 1.322 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1593747431 WDIZQEFBNDBLKG-CVEARBPZSA-N 426.539 1.162 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595522582 GIRKLPQAKZMDSG-UHFFFAOYSA-N 437.548 1.871 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCn2nc(C)nc2C1 1595577294 NZPUXRUIUFOVQP-UHFFFAOYSA-N 436.520 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595785158 RSEDJRRJHTUEDY-UZLBHIALSA-N 433.534 1.325 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595866215 CLCHHNPNHYHVGM-MRXNPFEDSA-N 429.550 1.676 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)CCO2 1598615052 MRARXYGVNSECLL-HNENSFHCSA-N 448.520 1.531 30 10 IDEE N#CC[C@H](NC(=O)c1ccc(I)cc1-n1cnnn1)C(F)(F)F 1616999272 ZEOKXRPPGNBGEW-JTQLQIEISA-N 436.135 1.841 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C[C@H]1CC 1617220455 GDRCVNYXHGIZCV-HXUWFJFHSA-N 439.564 1.890 30 10 IDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1622467249 ZSHFQRAWFGCYAK-UHFFFAOYSA-N 428.601 1.909 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1623659156 LYCNVVDXRGJMEQ-SFHVURJKSA-N 449.573 1.466 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2)C1 1626149717 CRNHDJLABLNXRO-HVPFBLEYSA-N 442.520 1.887 30 10 IDEE C#CCN1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1628350998 URTZVMVWVJLMDJ-LJQANCHMSA-N 434.518 1.306 30 10 IDEE CCc1c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 1630737513 PYCDZQUPKXTWNI-UHFFFAOYSA-N 446.511 1.783 30 10 IDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)cc2)[nH]1 1630762588 YMQJNFVKVDGRAH-UHFFFAOYSA-N 431.452 1.689 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 1638392494 DFEOFUZSCYDORH-ZWKOTPCHSA-N 435.569 1.147 30 10 IDEE Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1648028616 HUKFNEGMLXSGTL-UHFFFAOYSA-N 436.497 1.799 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)[C@](C)(CO)C3)nnc12 1651154119 AENUMSMGJPLKAH-QKKBWIMNSA-N 427.530 1.799 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 1653549969 OKEGXHKWMCBFPM-CRAIPNDOSA-N 430.505 1.930 30 10 IDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCC1 1654871577 SUXKIUNELXWPAM-UHFFFAOYSA-N 427.929 1.848 30 10 IDEE C=CCCn1cc(CNC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nn1 1657259390 BADUSNBPKBXQCX-UHFFFAOYSA-N 435.550 1.814 30 10 IDEE C[C@@]1(C2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CC2)COC(=O)N1 1660193053 IBNAVELOIVGRBD-REWPJTCUSA-N 443.523 1.745 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc1 1667790728 DBSIFDLIBFPUTN-ROUUACIJSA-N 429.473 1.927 30 10 IDEE COc1ccc([C@@H](CNC(=O)NCC2(C#N)CCOCC2)N2CCOCC2)cc1OC 1673922323 HSUYUVALKOHKKP-GOSISDBHSA-N 432.521 1.697 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2ccc(SC)c(C#N)c2)CC1 1687595230 YKUZLSAQOKDLJL-UHFFFAOYSA-N 439.559 1.932 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689979889 IVYYKWIACPAEIU-QRQLOZEOSA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689986815 XOODBIMXIXCYRO-ZWKOTPCHSA-N 432.594 1.876 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1690047699 XFPZCQKPGLUVFI-PGRDOPGGSA-N 426.542 1.551 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1690113211 CRELKBUXOLLEGF-XUZZJYLKSA-N 444.624 1.807 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1690209062 IVNSHEIBNBHKBW-JOCHJYFZSA-N 441.605 1.790 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690244236 VFFUGGYENKAUJP-QFBILLFUSA-N 446.577 1.839 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1690313360 RANHNTSHHQWWLT-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC)[C@H](C)C1 1690669950 SYPLSFQRAWRTOG-OAHLLOKOSA-N 436.520 1.427 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2cccc(C)c2)C1 1690684350 DMDDBZOXHLYCFC-LJQANCHMSA-N 440.548 1.936 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)C1 1690903861 ASURVQKPWNIRTN-IBGZPJMESA-N 435.532 1.967 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705514544 ACQHJABGVKLCDW-MRXNPFEDSA-N 443.529 1.436 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1705598051 ZXVDKUWQDJNGCD-FQEVSTJZSA-N 440.525 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCc2cn[nH]c2)CC1 1705650376 PTBYUSWSDSXVTB-UHFFFAOYSA-N 431.544 1.995 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C)n1 1705884690 VPPHHEFQYGFDNI-OAHLLOKOSA-N 425.580 1.827 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705899628 AQYSBDPUXSESLI-UHFFFAOYSA-N 425.453 1.522 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1708728667 BSZDAKMLADTJHD-KRWDZBQOSA-N 426.518 1.216 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1710297263 CLXIWBSEKVCYAW-UTKZUKDTSA-N 432.548 1.089 30 10 IDEE CN(C)CCCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1711013275 XQDAYZHZPOZFIR-CTNGQTDRSA-N 440.548 1.890 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1712317213 DVVQTHONISDKIF-DYVFJYSZSA-N 439.314 1.552 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1722316137 CAMPGPJCOUEUEB-KSZLIROESA-N 439.582 1.276 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCc2nc(C)no2)CC1 1722445487 RRZVZKNNRYHYTA-UHFFFAOYSA-N 436.520 1.574 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722462708 RCXHJZFDTWEMMN-GOSISDBHSA-N 434.587 1.889 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1 1722469243 XMFIZLVARDLADS-FGZHOGPDSA-N 431.537 1.171 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1722696551 BKXVAXWFYQHEBE-MRXNPFEDSA-N 439.520 1.223 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1722697072 FKXQOOMOYWJKRW-UHFFFAOYSA-N 448.531 1.836 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1722698780 MDOYQKDMCACBPH-LJQANCHMSA-N 444.580 1.703 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)[C@H](C)C1 1722700917 YXJVVIHGAMDYKP-OAHLLOKOSA-N 433.582 1.093 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1723612863 VHKDVYGLBUJTGZ-UHFFFAOYSA-N 447.499 1.892 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1727008810 OQVHIEXWUFLJLM-NZSAHSFTSA-N 425.537 1.925 30 10 IDEE CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1728011210 NALDCQPFFBTMJE-KRWDZBQOSA-N 425.541 1.660 30 10 IDEE COc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1730309742 FOERIUWZWSQZOG-YJBOKZPZSA-N 448.549 1.264 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1730949209 FCGJLSBFLGQPIP-JLMWRMLUSA-N 446.552 1.381 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740602726 SCAMRFQYGUSETG-SFHVURJKSA-N 426.445 1.166 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1740630459 JPCFHTWYKFWFBJ-SFHVURJKSA-N 428.514 1.227 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1740685482 GTPFIGOCHWMXFF-INIZCTEOSA-N 448.593 1.173 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740766433 HYEYDKKQQNQNHP-QFBILLFUSA-N 441.598 1.656 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1740811653 YFEKKKLIABKWOE-CYBMUJFWSA-N 439.916 1.845 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740884946 RJRRTCBUEPQKRI-OAQYLSRUSA-N 430.509 1.561 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741075813 XEAMDTPYINHGPY-DVEDPGPFSA-N 429.525 1.207 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)C1 1746957101 MHSZDBPOMPGPRE-BWDFOLQRSA-N 427.505 1.884 30 10 IDEE CCOCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1747317657 OMKIDOPIVCZDQD-ROUUACIJSA-N 440.552 1.975 30 10 IDEE Cn1cnc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@@H](C#N)C2)n1 1748038444 FTCKCAFKXNVYTF-LBPRGKRZSA-N 447.272 1.752 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1748637798 GFXNIMBGPIJYMS-INIZCTEOSA-N 434.504 1.758 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1748638524 QMUVNUAGIDVXOP-SJLPKXTDSA-N 428.537 1.849 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1748752374 VVZUGIGILUFMOB-KRWDZBQOSA-N 448.618 1.994 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748808257 JALKZSJSLFXQOD-GOSISDBHSA-N 429.546 1.735 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCc2noc(CC)n2)CC1 1748993403 XAKFSYCZZLEEDC-UHFFFAOYSA-N 435.532 1.821 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1 1749159022 NWZZIRBTKOLMBE-OAHLLOKOSA-N 430.596 1.407 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1749671210 ZSCBVSGKFNCDLT-RTBURBONSA-N 443.573 1.785 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1750059802 BVQMXHLGLVVYCU-ILXRZTDVSA-N 434.522 1.324 30 10 IDEE CO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750175722 GVROIPCXFJKWTQ-MODMUFLJSA-N 440.479 1.760 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)CC)c1 1760098381 RTYLQUUQUAZWKQ-DLBZAZTESA-N 432.594 1.846 30 10 IDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760137509 STHOIAKKBRAUBJ-GOSISDBHSA-N 428.537 1.250 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1760188838 MZZJHRDXLGFKMA-ROUUACIJSA-N 444.561 1.711 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1760190513 XDQWBMMYQGQWBF-MRXNPFEDSA-N 426.502 1.352 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC[C@@H](C(F)F)N1CCOCC1 1760204042 AISDOYGPSMVORO-IBGZPJMESA-N 428.487 1.693 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1760209241 BFTRVFGNCAQKJA-UHFFFAOYSA-N 430.468 1.481 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1760209656 GETKZBSULMEBAR-SFHVURJKSA-N 429.546 1.739 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1760240147 INGNDRADMXRURM-UHFFFAOYSA-N 433.509 1.338 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760315560 GMXKVBVFZBVUKB-VSKRKVRLSA-N 432.613 1.799 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(NC(C)C)CC1 1760519539 HPXPMQBPYSUSRA-UHFFFAOYSA-N 440.548 1.985 30 10 IDEE CCOCc1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1767919321 QGXFCQGPUKYFOP-RFGMHMOMSA-N 430.509 1.489 30 10 IDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 1768917453 GMQDCDKLAQRRDW-QZTJIDSGSA-N 427.484 1.229 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOCC(F)F)CCO1 1771536930 FAPCXSDFCLEZIV-CYBMUJFWSA-N 445.430 1.994 30 10 IDEE Cc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCOCC1 1772791037 XGQBLQDEMCVUGL-UHFFFAOYSA-N 430.438 1.384 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1848690478 PBPPPMKBOQXFHT-UHFFFAOYSA-N 432.546 1.551 30 10 IDEE Cc1cc(S(C)(=O)=O)ccc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851934218 WJOYKPARBVHJOP-UHFFFAOYSA-N 428.514 1.644 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)CC1 1855470545 GQYFLBUYJHQMPS-MSOLQXFVSA-N 436.578 1.191 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3ccccc3Cl)C2)CC1=O 1856787970 VOAQUEKWFBIMRQ-HUUCEWRRSA-N 428.894 1.363 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1 1858336544 SYKTUAJKDFFJGN-OAHLLOKOSA-N 425.919 1.953 30 10 IDEE COc1ccc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)cc1N1CCN(C)CC1 1867224395 PGCBKMQRWSGUEG-IBGZPJMESA-N 437.500 1.048 30 10 IDEE C[C@@H](C#CC(=O)NCCn1cc(I)cn1)NC(=O)OC(C)(C)C 1902014026 LYUFSFXHCVAUMD-NSHDSACASA-N 432.262 1.521 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 1984991274 VIQUOYQEVNQQKC-PMPSAXMXSA-N 425.526 1.780 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 1986129857 IUIMWEDPMITVFI-HRCADAONSA-N 425.526 1.780 30 10 IDEE N#Cc1cc([C@@H](O)C(=O)O)c(I)cc1I 2060283884 RPAYHVIZHOSRGP-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)[C@H]1CCS(=O)(=O)C1 2116072181 ABSOOEVIHWCZDL-LBPRGKRZSA-N 431.161 1.767 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2247287759 RIFOYNWKUDTSJJ-UHFFFAOYSA-N 425.310 1.843 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619083 MQDCRSHYEHVETF-UONOGXRCSA-N 436.318 1.073 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255697150 FEHJOVFAPUITIP-SFHVURJKSA-N 427.232 1.664 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255712848 SKCJBIRKKODIDZ-DZGCQCFKSA-N 436.314 1.536 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)n1 2255840248 JZHVFSNYNKZYMQ-KRWDZBQOSA-N 426.326 1.528 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267535957 FBPSVRSGNONTJW-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)n1 2267537791 RVNAMHCTAVEYEP-MGPQQGTHSA-N 447.345 1.242 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NCCc2nccn2Cc2ccccc2)OC1(C)C 2267589272 XWBZCOTWWPXZIX-UHFFFAOYSA-N 433.321 1.993 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 2267605688 PFOXMXWLRYWRLA-ZDUSSCGKSA-N 449.361 1.490 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269068668 MZQZPUAITFTBFO-INIZCTEOSA-N 441.293 1.566 30 10 IDEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccccn1 2296624939 FLGWVXJLRRXPGB-IBGZPJMESA-N 436.468 1.900 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2315528904 OBOJKTVPDDDATJ-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319676938 JTJWURJNXDAQMZ-BOLFOIPXSA-N 440.346 1.412 30 10 IDEE C#CCCN1CC[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364178715 SDAATJJCLFQQJK-SFHVURJKSA-N 431.558 1.860 30 10 IDEE Cc1ccc(S(=O)(=O)/N=C(\O)NC(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1 2454951 KWZTZVISLZSOAX-UHFFFAOYSA-N 425.488 1.936 30 10 IDEE Cc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c(C)c1 9509067 VZZFJYNEEOXWHU-PPCHASGVSA-N 428.510 1.849 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)CC1 250522778 MMDRRHIGVSAEPU-VSKRKVRLSA-N 438.572 1.906 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 254614970 JYZYYGUCDGBFJQ-IUODEOHRSA-N 440.499 1.314 30 10 IDEE N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1 254876197 QTJUBBQJNIXKPS-MRXNPFEDSA-N 437.546 1.759 30 10 IDEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 480544178 YNWMLVSGUOEEQG-UHFFFAOYSA-N 441.575 1.403 30 10 IDEE COc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)c([N+](=O)[O-])cc1OCc1cscn1 503641483 DIYOUAPHDSHTOW-UHFFFAOYSA-N 445.457 1.837 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 508919451 QMRGOFGRTROXQS-GOSISDBHSA-N 428.518 1.846 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)c(C)c1 514305632 AWBIPKJJQNCDSW-LJQANCHMSA-N 437.565 1.831 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cnc(C4CC4)nc3)CC2)cc1 535936060 LFJHOHJEAGAZPM-UHFFFAOYSA-N 440.529 1.484 30 10 IDEE C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)c1ccc(C#N)cc1 577302310 PBHHICAUCWKDOV-OAHLLOKOSA-N 438.509 1.339 30 10 IDEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670216102 FWGKLDZDMVDOHS-MRXNPFEDSA-N 440.504 1.915 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cccc(OC)n2)C1=O 726400849 MHQDBMZMINJOIO-OAHLLOKOSA-N 427.486 1.457 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCCNc2ncccc2C#N)C1 727777949 ROHPKAWZXJHTLA-MRXNPFEDSA-N 433.490 1.614 30 10 IDEE CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730141281 IVASGYBFKVWFJF-XYJFISCASA-N 447.605 1.989 30 10 IDEE C#CCOc1ccccc1CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 734164202 ZQZUMWGBBIFBPO-UHFFFAOYSA-N 449.554 1.780 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 742595760 XXMZNZQWTMCKCD-UHFFFAOYSA-N 436.424 1.985 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C[C@H]1CCCO1 753360125 UEHNVEIKSICXPS-UKRRQHHQSA-N 443.525 1.322 30 10 IDEE CCc1c(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 754350261 HODGLNNKTDMYQI-UHFFFAOYSA-N 441.488 1.036 30 10 IDEE C#CC[C@H](NC(=O)C[C@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757423899 FIWNUYPAYCAGRV-BTYIYWSLSA-N 436.464 1.869 30 10 IDEE Cc1nc(=NC(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)n(-c2ccc(C#N)cc2)[nH]1 776942230 VLNOFZYHIUPLCX-UHFFFAOYSA-N 426.477 1.834 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2cnn(CC3CC3)c2)c1 777608180 CNNLGICRZQWUQN-UZYVYHOESA-N 437.547 1.907 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)n1 782687428 PFOMJQQDMQLPBU-UHFFFAOYSA-N 438.897 1.181 30 10 IDEE O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(CCCn2ccnn2)C1=O)NC1CC1 784125378 OVOFCKCANPVEPI-XGIGFIBQSA-N 427.534 1.275 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 784125536 JJEBENXIIWBPLA-LJQANCHMSA-N 430.574 1.953 30 10 IDEE CCn1nccc1CN(CCO)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 794054007 JYZPAYNWNYZWAC-GOSISDBHSA-N 447.561 1.377 30 10 IDEE COC[C@@H](C)N=c1scc(-c2cnnn2C)n1N=Cc1c(Br)cnn1C 794838736 ZXUMXPKNAYGGMV-SNVBAGLBSA-N 439.343 1.659 30 10 IDEE COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798748257 UEFJHKUQLDZXFQ-MRVPVSSYSA-N 426.216 1.986 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)cc1 799279233 UZAYNKSBABTEKC-MRXNPFEDSA-N 428.514 1.843 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 805782774 OVMNIOPQWDYKCO-QGZVFWFLSA-N 430.486 1.807 30 10 IDEE Cc1nc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)c(Br)n1C 806116974 ZBPQQKWSZYOULR-SECBINFHSA-N 427.280 1.635 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)cc1F 813695782 HXNKZUCGXMLMIH-UHFFFAOYSA-N 435.481 1.345 30 10 IDEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 857758706 LZRFHGZPSSWSAV-MRXNPFEDSA-N 440.566 1.784 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)N3CCC[C@@H](C(N)=O)C3)C(C)C)cc2C1=O 876538324 OYOWLGGDLLNUMS-CRAIPNDOSA-N 441.484 1.374 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1132601228 RSEGPEVCEWOKMW-SFHVURJKSA-N 442.541 1.051 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)cc1 1141939853 OIVXGGBXVWFLRN-UHFFFAOYSA-N 440.403 1.424 30 10 IDEE C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156669772 HTDZVZINRZTBMX-LXIYXOSZSA-N 425.507 1.283 30 10 IDEE N#C[C@@]12CN(Cc3cc(I)cc([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1198084051 FQRNIKCTALRWGN-FZMZJTMJSA-N 447.254 1.570 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](COC)OC)c1 1286308673 BXILOLIVSYAXTA-SFHVURJKSA-N 435.488 1.453 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](F)COC)c1 1286309553 RYLDGQXESWFGOP-QGZVFWFLSA-N 442.495 1.555 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286322931 HUDABBOBJHIBPI-KRWDZBQOSA-N 435.594 1.678 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286353106 QVZRVNFJMRWRGU-IRXDYDNUSA-N 446.552 1.667 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nc2cc(OC)ccc2n1C 1286432680 TXFUFMLROLQQLW-UHFFFAOYSA-N 445.527 1.807 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(OC)c2)CC1 1286472333 GNVCFCNNXMKTRI-XMMPIXPASA-N 439.560 1.937 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C)CC1 1286488398 NDRXEZLKYCRSRW-MBSDFSHPSA-N 446.596 1.235 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@H]2C1 1286551388 HNJUDYDQGCLYIU-MLHJIOFPSA-N 435.525 1.624 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1286557681 JWNXABUJYZZUJH-GCJKJVERSA-N 440.548 1.540 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1286606033 DZEFQDNEKJZVRX-IBGZPJMESA-N 438.532 1.784 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)CCCOC)CC1 1286663206 IHTZYDPDJZFOJD-SFHVURJKSA-N 425.599 1.551 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1286776137 FRVMPEYSUUAAOV-MAUKXSAKSA-N 433.534 1.585 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1286778786 JBIZQZSGAXGGOP-OAHLLOKOSA-N 445.549 1.159 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286782462 VXPJVTMPTRCQDK-CRAIPNDOSA-N 425.493 1.828 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1 1286791903 GWRVWJQZRHTTDZ-UHFFFAOYSA-N 426.521 1.478 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCC(O)CC2)CCOC1 1286961338 NQLBJLZZCHLPCV-XMSQKQJNSA-N 434.585 1.761 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1289000464 ZWCLBVISSSLPAX-PBHICJAKSA-N 428.468 1.640 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1=O 1289938174 YGNYJMXXUTZMNZ-LJQANCHMSA-N 438.406 1.286 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@]2(CCCOC2)O1 1291225533 SGYXONGJSJROGU-WZONZLPQSA-N 441.532 1.990 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 1294213398 YYHILPRBGXMTOG-JZXOWHBKSA-N 447.536 1.764 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCSC[C@H]2c2nn[nH]n2)C1 1296689291 JIYQJTRGRSIKCR-AWEZNQCLSA-N 434.323 1.587 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC[C@@H](O)C1 1297287369 BLFJHCAOSMRNPT-PKOBYXMFSA-N 425.537 1.959 30 10 IDEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN2CCO[C@H]1C2 1298372096 KCNMMMQJYFUTCU-MSOLQXFVSA-N 434.562 1.217 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1299484429 SDDLHGFIBJKIMF-VQTJNVASSA-N 430.464 1.982 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN(C(C)=O)C1 1300323287 YGJGIEKBDOQXPH-DOTOQJQBSA-N 428.562 1.986 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1300464465 FTPFELUFWHNYGJ-SFHVURJKSA-N 433.534 1.532 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300482047 CZOUTUBLOHLPLY-XMTFNYHQSA-N 440.566 1.054 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300506196 PAFWEHVQSFASAO-VQTJNVASSA-N 449.621 1.878 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1300915550 OFLKVOXKWGSRTH-WIYYLYMNSA-N 448.545 1.743 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301149148 XTVYNFYSBIOPPJ-MSOLQXFVSA-N 443.596 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCC(C)C)C1 1301566733 BQHNFCJFHHKLON-QGZVFWFLSA-N 439.582 1.366 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1302483212 DOUFAJLDHSSKQG-QGZVFWFLSA-N 444.561 1.761 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C(N)=O)CCOCC1 1302680284 CWWJLQLECCUTJF-UHFFFAOYSA-N 438.536 1.277 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@H]2COCCO2)cc1 1302989333 KJZIQESSHDEYDA-IBGZPJMESA-N 440.504 1.093 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 1311613668 OPTNZTKNEXXZFD-UXHICEINSA-N 428.533 1.257 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOC(C)C)CCOC1 1314123475 SMCFOPYZRYODEY-JOCHJYFZSA-N 442.520 1.890 30 10 IDEE CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1315049484 FHJQSSYLCPTJPC-UHFFFAOYSA-N 444.543 1.594 30 10 IDEE COCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1354712690 FSDZPYAEVCYZFT-INIZCTEOSA-N 432.908 1.566 30 10 IDEE CN1C[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1358079010 BJXIKAPEMJVBLX-KRWDZBQOSA-N 442.520 1.116 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358964467 ZLAJEROBVXACTN-ZWKOTPCHSA-N 432.550 1.004 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1358965959 FJIXFMPUUASMJT-UZLBHIALSA-N 428.558 1.959 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1359010467 QNSLFDIFAPKWDN-VGOFRKELSA-N 449.552 1.852 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1359025937 DINPZOQCFSINAQ-UHFFFAOYSA-N 425.581 1.376 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(Br)n2)CC1 1359034200 HSOJJPPTEVDXBQ-UHFFFAOYSA-N 439.321 1.696 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N[C@@H](C)CC)CC1 1359044261 ASBCSRPYFVXCFE-HKUYNNGSSA-N 444.580 1.790 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(=O)NCC(F)(F)F)CC1 1359045080 WHTPRCSRWDYGRU-UHFFFAOYSA-N 426.443 1.190 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1359054688 DCTVSFJQFCAOML-UHFFFAOYSA-N 449.540 1.770 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCNC(=O)CC3)nnc2[C@@]2(OCC)CCOC2)cc1 1359308611 TXQGWMVSYUBXRY-HSZRJFAPSA-N 441.532 1.870 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(C)(=O)=O)C1 1359317357 HGRJRVFTEINHGW-MRXNPFEDSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1C(C)(C)C 1359335636 QIIKVBOHHQTGOR-SFHVURJKSA-N 430.596 1.191 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1359478306 QKFYIERVSQBFOR-PTDBIEIZSA-N 434.541 1.796 30 10 IDEE CC(C)N(C)CCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360112982 PIPHBKNHTDCUJJ-UHFFFAOYSA-N 438.536 1.276 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1 1441628632 DFXXIQBPACLRKD-QIIGAIICSA-N 440.522 1.324 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC 1452934762 FDIDGVHIOJAKIE-UHFFFAOYSA-N 426.473 1.812 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1455201318 CKNLVPHUWHGQKR-IRXDYDNUSA-N 446.573 1.988 30 10 IDEE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1464742020 CTNKOJVDJUKZRO-IBGZPJMESA-N 436.516 1.161 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1466738185 PNOHEGIIWSWDPX-SFHVURJKSA-N 449.529 1.572 30 10 IDEE C#CCN(C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCN(C)CC1 1468358270 QABXIMYXEONTDG-UHFFFAOYSA-N 432.590 1.826 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)C2=O)cc1 1470032385 HIOOAOFZISOALZ-PMACEKPBSA-N 438.509 1.628 30 10 IDEE CC[C@@H]1[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1470839031 JOBWGKDLKLNIKS-ZTENYAIWSA-N 426.539 1.354 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(OCCO)CCC(C(F)F)CC2)c1 1472625421 FOTWOCJXTCBNLC-UHFFFAOYSA-N 445.488 1.156 30 10 IDEE COC(=O)[C@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)CCOC1 1473658822 QMBROAXYAFPXGS-CVDCTZTESA-N 428.533 1.580 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)C1=O 1475241534 ALYPKWAGFKZGCC-MRXNPFEDSA-N 447.479 1.705 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)c(C#N)cn1CC 1476760275 CCRLJPRQPHDPPY-UHFFFAOYSA-N 432.525 1.574 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1478283909 CBVGIZHKUVOPGZ-CHWSQXEVSA-N 443.488 1.932 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1501965114 ONCGGTSKHUHMDI-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CC(=O)NCC(F)F)c1 1505316446 CUWLQWADCZDFMY-UHFFFAOYSA-N 429.431 1.009 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N1CCSCC1 1507542669 RVACEOMJFFFPRD-OAHLLOKOSA-N 439.632 1.767 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1507631116 BIQMDKKDRGVPFH-JKSUJKDBSA-N 435.575 1.530 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1507632296 YMXBJIBFGMQLFJ-GOSISDBHSA-N 442.520 1.801 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 1507721887 ZPLFUTLVZKPHQY-UHFFFAOYSA-N 433.560 1.683 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507810153 WBQKDZGDSGMKMX-MDZRGWNJSA-N 437.566 1.005 30 10 IDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1507868451 KITZCRLCOYOFKM-CQSZACIVSA-N 440.932 1.617 30 10 IDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)C(=O)C1 1507941507 HXUXKHIHMFTLBR-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1508090476 ILHFUGHSZYDSEJ-HZPDHXFCSA-N 429.525 1.975 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNC(C)=O 1513025505 GOXQERGNTXZVJX-HZPDHXFCSA-N 425.541 1.695 30 10 IDEE COCC[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1518970543 XYVSLYKIORSVIR-NQIIRXRSSA-N 430.578 1.894 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1519243408 WMJYFAMJFZHJJB-UHFFFAOYSA-N 448.531 1.578 30 10 IDEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1520560946 XJOZQSHDUPEAKP-MAUKXSAKSA-N 442.611 1.494 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCSCCCO)c1 1521076352 WORQMQBRJJTOEU-NRFANRHFSA-N 426.546 1.649 30 10 IDEE Cn1nccc1[C@@H]1C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1525878387 NIJSTQWFLSPCTQ-SUMDDJOVSA-N 436.472 1.533 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N[C@@](C)(C#N)CN(C)C)c12 1531927783 AMBVZRFBZMPVRC-BTYIYWSLSA-N 444.561 1.550 30 10 IDEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1I 1538009739 PTBQZXMSPHDWLU-AWEZNQCLSA-N 440.241 1.228 30 10 IDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)Cc1ccc(C#N)cc1 1538216966 AKAOKYHEAPOYHC-UHFFFAOYSA-N 430.530 1.669 30 10 IDEE C=CCN(C(=O)CC1(n2cnnn2)CCOCC1)[C@H](Cc1ccccc1)C(=O)OCC 1538619332 YVPJCEUUMIIGCK-LJQANCHMSA-N 427.505 1.758 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539120528 XCYLFFOWGYDDNQ-NRSPTQNISA-N 428.581 1.574 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1539229852 IUGSZMPDHYYFKR-SONOPUAISA-N 448.614 1.459 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1539317405 CCXCXOCJVGMNMV-FQEVSTJZSA-N 432.528 1.637 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncnn2C(C)(C)C)CC1 1539428329 QNPMYIPYDWMJSU-UHFFFAOYSA-N 441.584 1.347 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2C(C)C)CC1 1539469973 WBZUFBLTRWLWMH-HYVNUMGLSA-N 436.582 1.071 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1539496457 GDPJCNFXNXBSRE-HNNXBMFYSA-N 427.596 1.404 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4cccc(C#N)c34)CC2)C[C@@H](C)O1 1540846488 ZJXWYIIWOVRNLA-GASCZTMLSA-N 431.518 1.151 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540874057 UGRHKADFZPLFPK-GOSISDBHSA-N 431.562 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC(C)(C)C1 1540907659 DILSRJPIORDUSA-IKGGRYGDSA-N 442.582 1.607 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCOCCS(C)(=O)=O)C1 1541990889 PKQYRSTXGIRCSA-FQEVSTJZSA-N 432.550 1.455 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)C1=O 1554354252 NBMHSWFBHQEALS-OAQYLSRUSA-N 442.545 1.308 30 10 IDEE COCCN(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1555522056 PEZSMMVUJYLGEG-FQEVSTJZSA-N 433.488 1.416 30 10 IDEE C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1561686966 QARHODWJCGLOPX-KRWDZBQOSA-N 426.560 1.440 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CC)C1 1587580458 PXOWNKWYWYJLPV-ZWKOTPCHSA-N 444.605 1.995 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587749226 CDDLDVICGLJMBZ-NQIIRXRSSA-N 436.564 1.527 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588024665 IVSZWSAPMNTRLR-OKZBNKHCSA-N 433.578 1.577 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC(=O)NC)CC1 1588779978 FFOYUJIBEGZXML-UHFFFAOYSA-N 449.328 1.738 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1588876736 HHOBMBCGJJQBDV-IAGOWNOFSA-N 442.486 1.148 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589042619 IGBOGJWHWRUAKU-NRFANRHFSA-N 441.561 1.465 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1593696667 UZFBKLOPSSOJMW-JTSKRJEESA-N 442.520 1.902 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1594784083 QQTMQTOLEPCPGM-UHFFFAOYSA-N 432.569 1.990 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cccc(CC#N)n2)c1 1598032605 QEJBLFKIEZYNRZ-UHFFFAOYSA-N 429.502 1.487 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNC(=O)C2CC2)CCOC1 1610430974 MUOSQSNODCVYJF-JOCHJYFZSA-N 430.553 1.975 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@]2(CCOC2)O1 1612977694 GTBMWKKQVYSPHI-OPAMFIHVSA-N 440.504 1.201 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1619553023 ABOSXAYQQSRWSE-KRWDZBQOSA-N 430.484 1.533 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccsc2)nnc1N1CCS(=O)CC1 1620385215 QSLSXFJQALJADL-ZCXUNETKSA-N 446.558 1.026 30 10 IDEE C#CCN1CCCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1629537371 XSUDBYMJWCIPAT-DEOSSOPVSA-N 444.535 1.667 30 10 IDEE C#CCN(CC(=O)NCc1ccc(CN2CCS(=O)CC2)cc1)C(=O)OC(C)(C)C 1630541358 VGGGQKMFMMZASQ-UHFFFAOYSA-N 433.574 1.737 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(-c3cccc(C)c3)c2)CC1 1630893435 SLPASROOVABYTD-UHFFFAOYSA-N 426.542 1.957 30 10 IDEE C=C1CCC(CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1634130928 CELHABFRPRLXBH-SFHVURJKSA-N 428.576 1.631 30 10 IDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1=O 1635416026 YDKSHTAWYHIHTG-QGZVFWFLSA-N 432.484 1.553 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c1 1636158562 SUHIQSLBRZOHBH-UHFFFAOYSA-N 438.509 1.379 30 10 IDEE CN(C)CCn1c(O)nc2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 1638203402 PAMARPBHAGELQZ-DOTOQJQBSA-N 442.520 1.792 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1638655993 GUWJEMISWUPXCE-ICSRJNTNSA-N 436.574 1.864 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 1639677241 JKBHQICAHUJYKP-LBPRGKRZSA-N 443.572 1.280 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)cc1 1640324044 CCQPZDKFPOXFQV-UHFFFAOYSA-N 429.429 1.912 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1F 1640652247 BBIODYZFXZHETF-CHWSQXEVSA-N 449.460 1.943 30 10 IDEE COCCO[C@H]1C[C@@H](CO)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1642934196 XEYGWMLLJFRJDE-MJGOQNOKSA-N 428.451 1.519 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(CCc3cnccn3)CC2)cc1 1643281671 XDRHTOCCUSNDSP-UHFFFAOYSA-N 427.530 1.555 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 1643372465 MTQBEYBWYPTNKM-CQSZACIVSA-N 433.452 1.376 30 10 IDEE C=CC1(CC(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)CN(C(=O)OC(C)(C)C)C1 1646028954 ORNCXUICPMNPFG-UHFFFAOYSA-N 428.489 1.989 30 10 IDEE NC(=O)c1cn(C2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)nn1 1647781535 ZIYVLAYTONLBCI-UHFFFAOYSA-N 434.422 1.201 30 10 IDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)C2CCN(C(=O)C(F)(F)F)CC2)C1=O 1652629559 OPBFOAIXBLDDSX-IBGZPJMESA-N 436.390 1.695 30 10 IDEE CCn1c(=O)c(C(=O)CN(C)CCc2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 1654568781 WDSNCYPOUYOBSO-UHFFFAOYSA-N 445.523 1.889 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3cccc(I)c3)C[C@H]1CS(=O)(=O)C2 1655684013 UXBHCYVSFCNBSO-NHYWBVRUSA-N 445.282 1.100 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1659142392 JFICQNKLDPYPQC-KRWDZBQOSA-N 434.518 1.163 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1663918779 IODKQJCGXINPIJ-HUUCEWRRSA-N 445.463 1.634 30 10 IDEE C#CCN1CCC(NC(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1675739129 RQSQHHNHXMEAOC-HXUWFJFHSA-N 430.549 1.474 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)C1 1681433792 JKXRHPVDDNEEMS-HRCADAONSA-N 426.539 1.354 30 10 IDEE COc1cc(OC)c(C[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)c1 1682496289 PHHXBACMTDYMHO-LAPQFRIASA-N 437.518 1.223 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1686084809 TUNFHYLDTXJDDY-KXBFYZLASA-N 437.422 1.764 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1689853436 SPMODBBIUGRWDS-ILZDJORESA-N 443.573 1.799 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1689889106 YTXTYDDSMWGXAR-SFHVURJKSA-N 435.536 1.273 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1689983448 BSTDRXSQOREGQB-LJQANCHMSA-N 443.529 1.106 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690254828 JFDNTSXBDIPFNP-LJQANCHMSA-N 445.612 1.859 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690313547 WVNBXWVEJNZTTR-QZTJIDSGSA-N 448.593 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1690724307 LRVQSCMHUYAIQV-ZWKOTPCHSA-N 437.610 1.693 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1695442824 FIYABUIHWUVDOV-INIZCTEOSA-N 426.477 1.254 30 10 IDEE CS(=O)(=O)NCCCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1698317376 GPOWLALLZKXMII-LJQANCHMSA-N 444.561 1.619 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1705560792 NLKUNRFXIBKSAT-XMSQKQJNSA-N 428.558 1.862 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1705570316 ONWAWODRJLORGM-MRXNPFEDSA-N 428.543 1.395 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1705632927 FKBQKRLBZBWDGM-KNQAVFIVSA-N 432.638 1.755 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1705637738 KBXSBQUZXYFSHW-KRWDZBQOSA-N 435.498 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705649346 UGTSLPAZMIIGCV-OPAMFIHVSA-N 427.553 1.442 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1705651662 FIQCJZRPJDKNAJ-OAHLLOKOSA-N 432.575 1.763 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705659030 JMRFLRJJBQJWRS-SJORKVTESA-N 432.594 1.584 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705659662 CCYHLTYOSDKUMF-KRWDZBQOSA-N 443.577 1.664 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](OC)C(C)(C)C1 1705904468 QABWLLBWPXNYHS-ROUUACIJSA-N 427.505 1.954 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1705908117 IKVSSDMUHDKHSN-SFHVURJKSA-N 438.532 1.533 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1705919545 GOWDIOKOIBXUPM-MSOLQXFVSA-N 440.504 1.723 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCOC 1705934585 QISBJACZGCNHDF-UHFFFAOYSA-N 432.506 1.277 30 10 IDEE CCN(CC)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1709994231 HPBGENKVIJTIAS-HNNXBMFYSA-N 443.508 1.383 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1710857682 FMHOSDNXRFQXOL-INIZCTEOSA-N 447.561 1.618 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1712880316 FARLKVMVBYIFGZ-GDBMZVCRSA-N 432.431 1.465 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712884736 RGUZSXMQZZIZNF-NVXWUHKLSA-N 433.463 1.425 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1snnc1C 1722276000 FJUHLWULCMQPPV-CYBMUJFWSA-N 445.574 1.862 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCC[C@@H]1CO 1722282319 CFCMWDYLQLCZHG-ZWKOTPCHSA-N 425.537 1.620 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722364081 WZZBHCFFGDYDGE-DOTOQJQBSA-N 445.545 1.251 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1722369554 AWEUAIMFZDYWRN-HNNXBMFYSA-N 437.591 1.703 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)NCC1CC1 1722417361 FKIDWBOTXZCNBS-UHFFFAOYSA-N 426.496 1.721 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ncccc2F)CC1 1722433211 PMBWWGWTXPSAFT-QFIPXVFZSA-N 444.511 1.299 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN(C)c2ccccc2)CC1 1722437050 OZHFKTAYEIYWMC-OAQYLSRUSA-N 435.576 1.901 30 10 IDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1722540068 ANMJEWIIXRCVJK-UTKZUKDTSA-N 429.546 1.595 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722543576 RAKRDQGXTAGBRD-QGZVFWFLSA-N 440.976 1.499 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722555170 JWJWZMXMAMELPL-OWCLPIDISA-N 445.973 1.369 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1722609092 RZTYHHWLTCMNIV-UHFFFAOYSA-N 426.525 1.150 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)C#N 1722866102 NHRPGHSDLDRQOS-CYBMUJFWSA-N 425.946 1.917 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CCN1CCOC 1727800953 HZHYGWLSPOYSSC-LJQANCHMSA-N 425.537 1.452 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C(=O)OC)CC1 1730875728 MCELWSYGULLESC-NVXWUHKLSA-N 436.513 1.209 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1740532894 MMPAWDRVWLSGQR-JKSUJKDBSA-N 427.534 1.580 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1740616782 GTBZEUYBJZYRAX-KZNAEPCWSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCn1cc(Br)cn1 1740636837 FOGFEUAESVYXBB-UHFFFAOYSA-N 427.310 1.801 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1740645931 VRLYSSXTLXNQFF-UHFFFAOYSA-N 449.540 1.863 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740690159 HPJRDCKYSUXUJK-GBESFXJTSA-N 443.523 1.852 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1740694021 VOVGFXUZQLXTLV-RXVVDRJESA-N 425.533 1.760 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1740709062 ISCQOFYEBMSUAJ-ZBFHGGJFSA-N 439.563 1.426 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1740757714 RESKZLOXMDQZHU-BJLQDIEVSA-N 430.553 1.563 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2F)CC1 1740960131 LTKXUVLNBAZFKT-QGZVFWFLSA-N 428.512 1.940 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740993839 DTVKYZPZMKQRNY-NVXWUHKLSA-N 440.591 1.771 30 10 IDEE CC/C=C/Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1745104417 IEBPGOQCZPITDD-AATRIKPKSA-N 437.552 1.607 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOC1=O 1747193540 ATQWEACVAIMLHF-UHFFFAOYSA-N 440.508 1.250 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(O)CCOCC2)c1 1748693110 YCQNOUIIZYSLTA-SFHVURJKSA-N 439.516 1.380 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc([C@@H]2CCOC2)cn1 1748800052 YOSDFLCLVJQELD-MRXNPFEDSA-N 439.545 1.740 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCOCC1 1748916935 KADDQOPWVFWGJU-UHFFFAOYSA-N 435.536 1.491 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1cccc(C(=O)N(C)C)c1 1748958601 CFHIWHVZUVFCNG-UHFFFAOYSA-N 433.516 1.766 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSc2nccs2)CC1 1748990313 GTWYRSXLZXKZIF-HNNXBMFYSA-N 431.591 1.623 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1749132180 ZMYITNBWYSNQQN-BZSNNMDCSA-N 439.582 1.235 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1749427353 PZZJOMFBKWJTPE-HOTGVXAUSA-N 429.612 1.909 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncn(C)n1 1749592106 CCZMODXFBYDLKU-UHFFFAOYSA-N 431.522 1.164 30 10 IDEE COCCN(CCC#N)c1nnc(C(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1749824720 NKMBEMAUGSCILE-WNRNVDISSA-N 426.521 1.575 30 10 IDEE CC(F)(F)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1751180779 GDIMRQGICIXIOX-OAHLLOKOSA-N 429.431 1.009 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1760112009 YZVVPHGPIHDXEU-IXDOHACOSA-N 436.516 1.673 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760136240 FGEGLZNJOBWLOP-SJORKVTESA-N 433.520 1.409 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1760219673 KRWUXBKXZKIFFC-UXHICEINSA-N 431.606 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2noc(CC)n2)CC1 1760269175 AXRGYBAFNWXMLU-KRWDZBQOSA-N 441.536 1.326 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1 1760315832 JJMYQWRISSLCHZ-IKGGRYGDSA-N 428.555 1.218 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1760689653 AZSLPAARMLKNDG-AWEZNQCLSA-N 430.534 1.471 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccc(C#N)o1 1761502089 MNPSPYIZIBESTB-CJNGLKHVSA-N 436.538 1.653 30 10 IDEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1767769563 DLRATFXMUGKRAS-MRCUWXFGSA-N 435.488 1.849 30 10 IDEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1768151416 JJCRZQGIXPJREH-KRWDZBQOSA-N 427.484 1.603 30 10 IDEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1768518854 NUFARXJDVCCSGI-OAQYLSRUSA-N 430.484 1.736 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768659588 FSGXTURYUBKOPQ-RXVVDRJESA-N 445.545 1.577 30 10 IDEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)C(C)(C)C 1769661365 HIKFUDCPGWEAFW-OWCLPIDISA-N 442.586 1.268 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1769776948 UKPVFSSHAJKYCY-HSZRJFAPSA-N 437.548 1.644 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1770316467 IFXXVEXLBUEIMF-LJQANCHMSA-N 447.561 1.905 30 10 IDEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)CCC1 1770361336 HVPYLMQZECKWFW-SSEXGKCCSA-N 427.534 1.967 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1772564688 SCLODPLLCHYXPB-MJGOQNOKSA-N 431.562 1.963 30 10 IDEE C[C@H]1Oc2ccc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc2N(C)C1=O 1851616122 FTZSENGAAAWSFM-MRXNPFEDSA-N 435.484 1.676 30 10 IDEE N#Cc1ccc([C@H](CC(=O)OCCN2CCNC(=O)C2)N2Cc3ccccc3C2=O)cc1 1852652113 ACGVKNMFRQVGOU-NRFANRHFSA-N 432.480 1.620 30 10 IDEE NC(=NOCCC(=O)N1CCc2nc3ccccn3c(=O)c2C1)c1ccc(Cl)cc1 1853604041 PJJARJCXYPPBGJ-UHFFFAOYSA-N 425.876 1.960 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1 1855698068 KSYSIUGXPLBLRP-YJBOKZPZSA-N 436.509 1.199 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC1CC1 1857346577 DPWRMCPXVYOXLH-GOSISDBHSA-N 431.514 1.310 30 10 IDEE CCCCCCCCN1C[C@@H](C(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)CC1=O 1873017551 UXMNJPGYGOWFLW-NRFANRHFSA-N 449.640 1.114 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1OC 1874430111 SUZABSVUUQRXLP-SSDVNMTOSA-N 448.549 1.774 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCCN(C)C)ncnc21 1875228705 AEESQWITOFUZMJ-UHFFFAOYSA-N 443.552 1.895 30 10 IDEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1OC 1890229040 OFASKDJFVLGLQY-UHFFFAOYSA-N 429.561 1.505 30 10 IDEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC(COc3nccnc3C#N)CC1)CS2 1891326656 BWWAYRVGZMIQBD-MRXNPFEDSA-N 440.529 1.876 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)COC[C@@H]1NC(=O)OC(C)(C)C 1904342727 ADYXSDGYOWLQFQ-XOBRGWDASA-N 429.514 1.794 30 10 IDEE C=C[C@@]1(CO)COCCN1C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2079179277 SPSDOHIEAFBZBA-DNQXCXABSA-N 445.560 1.932 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085659953 OGSIMMBRKNRKNT-HNNXBMFYSA-N 435.330 1.985 30 10 IDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO 2211148931 NHULYLUDADJNRX-FPCVCCKLSA-N 425.526 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626690 JBZBPRRHWWSMTR-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255653262 GPSZPFKPPCMURY-UHFFFAOYSA-N 426.326 1.450 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255660720 JWSPUVIQMQQJKH-QWHCGFSZSA-N 435.334 1.242 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829576 RHPLQSBCYUORKH-QGZVFWFLSA-N 429.326 1.369 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2255830548 HWBWQVZKHOMDPC-UHFFFAOYSA-N 436.318 1.483 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255844540 YGBKSLUECAYOGB-LLVKDONJSA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CC1 2256054872 AOSRNEONXZVUGI-CQSZACIVSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256611822 ADSPMZYGWAAVRJ-CYBMUJFWSA-N 434.302 1.088 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256676107 MCHUVVZEFLAIOE-OAHLLOKOSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)nn1 2258962901 MOKQHHMMINLWGX-UHFFFAOYSA-N 433.318 1.444 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2267133948 JBUKBEFFTISLPB-QKDCVEJESA-N 446.357 1.562 30 10 IDEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267548396 RKVTWANVZILIKD-KBPBESRZSA-N 449.361 1.490 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=[S@@](C)(=O)CCN)cc2Cl)OC1(C)C 2267704306 LMSQAQQTOXWPEA-DEOSSOPVSA-N 428.794 1.446 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)c[nH]1)CCO2 2272931816 WMJAWCZCYHEDGF-UHFFFAOYSA-N 447.341 1.776 30 10 IDEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1C 2296115545 CQCBQFUWQODDPG-GOSISDBHSA-N 426.473 1.796 30 10 IDEE COc1nc(N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 2317502067 UZESYXOBOGUVLD-NWDGAFQWSA-N 427.232 1.741 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1C(=O)O 2329035074 MDOAZRKDKNMDQR-CQSZACIVSA-N 445.501 1.848 30 10 IDEE CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O 2333320763 MWZOULASPWUGJJ-MMTROXRISA-N 449.548 1.887 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2352399490 CSPYJEDOOHMUKT-UHFFFAOYSA-N 444.301 1.198 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@@H](Cc3ccccc3)C(C)=O)cc2C1=O 9702346 XPYYDGUAHBQXIL-FQEVSTJZSA-N 434.448 1.942 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCCOc2ccc(C#N)cc2)CC1 23199829 VMYRRLRLSWFEJU-UHFFFAOYSA-N 432.502 1.921 30 10 IDEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)N(CC)Cc3nnc(CC)o3)n[nH]2)cn1 59832293 IKKYDGPCEVMQCP-UFWORHAWSA-N 444.525 1.719 30 10 IDEE Cc1ccn(N2CCc3ccccc32)c(=O)c1C#Cc1cnc(N2CC[C@@H](C(N)=O)C2)nc1 89209881 OGALCTYUEBVKPX-HXUWFJFHSA-N 440.507 1.484 30 10 IDEE N#CCCn1cc(/C=C\C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c2ccccc21 211885525 YBTAHDSPKPVMPS-SREVYHEPSA-N 435.528 1.571 30 10 IDEE CCN1CC[C@H](NS(=O)(=O)N(CCC#N)CCOC)[C@@H]1c1cc(F)c(F)c(F)c1 409511309 WNTTXUOOVIMXMX-WMZOPIPTSA-N 434.484 1.936 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 443480557 CGNTYXZMHPFYEW-OAHLLOKOSA-N 428.308 1.379 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F 460769928 RCHZZSLPWTWQHE-UHFFFAOYSA-N 428.449 2.041 30 10 IDEE N#Cc1ncccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 477037656 WJKMXRHSYHCTBT-UHFFFAOYSA-N 436.877 1.645 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 480110880 BZSCCMDBCBEDCI-KBXCAEBGSA-N 444.538 1.765 30 10 IDEE C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 495052714 YJFXTIUFXBSOOJ-IKGGRYGDSA-N 427.549 1.942 30 10 IDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CCN1S(=O)(=O)CC1(C#N)CCCC1 498875791 WHHWZJNVEPPACO-KRWDZBQOSA-N 442.607 1.820 30 10 IDEE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 502189151 XAKBFCZOMLLIRS-AWEZNQCLSA-N 426.477 1.054 30 10 IDEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 514306623 MHPAXPPARLYFLQ-QGZVFWFLSA-N 439.537 1.269 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(C)C)c2=O)c1 537395861 IZYXXWZMQWBNNA-UHFFFAOYSA-N 428.558 1.553 30 10 IDEE CC(C)N1C(=O)C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c(F)c1 541191779 LKJPLTSEMAMZFK-NVXWUHKLSA-N 433.871 1.911 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCOC2)CC1 549703394 YXQWFKIFSDKLCP-SFHVURJKSA-N 430.578 1.391 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2(c4cccc(C#N)c4)CC2)CC3)CC1 555518977 AVRIQHPBWILPHD-LJQANCHMSA-N 446.555 1.553 30 10 IDEE COc1cc(F)ccc1N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 564022833 DJXCNIJVDWDFMX-UHFFFAOYSA-N 442.495 1.473 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)nc1 566524098 PDAXQUYBAJGPTK-QGZVFWFLSA-N 438.387 1.737 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)CC2)nc1 587653031 BKPUYXWZYVNECM-HFSMHLIXSA-N 436.560 1.371 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604001774 RFGQFDWYXNINCV-UHFFFAOYSA-N 429.505 1.441 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1C 620098394 YMNLXNGCFMQHRU-UHFFFAOYSA-N 441.553 1.352 30 10 IDEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669803367 RZXLXSNWVPDJGX-UHFFFAOYSA-N 429.550 1.551 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670229903 KZYMPXXLZGTHQC-MJGOQNOKSA-N 429.569 1.079 30 10 IDEE CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C)c2)c1=O 727162805 WYXCKNVPZXSUEA-UHFFFAOYSA-N 427.574 1.103 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(C)c1 727415394 NMNALOQUFGXKON-UHFFFAOYSA-N 437.521 1.846 30 10 IDEE CC(C)CN(C(=O)COC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 728345079 AOTBFSKRAKUBRX-PMACEKPBSA-N 447.557 1.742 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 732138078 LWEJLIMTDAXMFX-AWEZNQCLSA-N 448.495 1.784 30 10 IDEE C#CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 733163362 LQKGOAVCIPZTQG-KRWDZBQOSA-N 440.363 1.380 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C3CCN(C)CC3)c2=O)cn1 735068121 DMJWNNUIHWSKRX-UHFFFAOYSA-N 441.601 1.901 30 10 IDEE CCOC(=O)N1[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1c1ccc(C)o1 736558811 AXLYCKRJQBGHIJ-KUOYXJDGSA-N 430.461 1.893 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 757871163 WTFJJYOECCXOKU-UHFFFAOYSA-N 426.514 1.918 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(OCCCO)CC1 758348621 UAWMNZQSZSYGKW-GOSISDBHSA-N 437.562 1.674 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(C[C@H]3CCCO3)c2=O)cn1 764977332 NUFCLHAMVDQFJJ-LJQANCHMSA-N 448.548 2.000 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOC[C@H](O)COC(C)C)CC2)cc1 768300503 DFVBQNRNUGATIO-GOSISDBHSA-N 427.523 1.588 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCC2CCN(CC#N)CC2)C1=O 771523425 HXSNYGHHCYCMKB-QFIPXVFZSA-N 427.505 1.122 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 774271770 LMBNOOXJHBSNLE-SFHVURJKSA-N 447.605 1.781 30 10 IDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1cccc(Cl)c1 777254059 FZNKTUVKXFJSSZ-ZCXUNETKSA-N 442.863 1.415 30 10 IDEE COc1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1C#N 782341319 JOGWZPNLASMTQS-AEFFLSMTSA-N 434.445 1.573 30 10 IDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2c(Cl)nc3ccccn23)c1C#N 783601511 QDVOTFNZBSCAIJ-UHFFFAOYSA-N 435.897 1.462 30 10 IDEE CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 787070375 VZMPHQRXHGJIFP-IFMALSPDSA-N 444.491 1.830 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)c3cccc(S(C)(=O)=O)c3)CC2)o1 792282716 WEKPHBFOWSYPFF-UHFFFAOYSA-N 431.470 1.901 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n1 795373020 FKJDTSCNPYXJFX-FPOVZHCZSA-N 440.548 1.613 30 10 IDEE C#CCC[C@@H](O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 799076441 VHINGRGZLCZITG-GDBMZVCRSA-N 429.336 1.493 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 811329289 NXSRAQMLNMGXGR-IRXDYDNUSA-N 448.545 1.837 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 1135777618 QEBWMDGOCDYPAX-UHFFFAOYSA-N 432.565 1.404 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2ccc(OCC#N)cc2)C1 1136585660 NXFOGCNFDRVNME-QGZVFWFLSA-N 437.518 1.629 30 10 IDEE C=C[C@@](C)(O)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1146298292 BVUGIEMPJUDBBY-OAQYLSRUSA-N 438.594 1.735 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1cc(C)nn1-c1ccccc1)c1cc[nH]n1 1151402458 GBIWILBLNVPSQL-OAHLLOKOSA-N 438.488 1.935 30 10 IDEE Cn1ncc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1I 1156662338 AABMJKGGUOLBCO-UHFFFAOYSA-N 448.217 1.713 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](CO)[C@@H](CCO)C1 1159699099 WPNRHTVIWYSLRM-UONOGXRCSA-N 427.295 1.548 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC23CN(C(=O)OC(C)(C)C)C3)cc1 1159740156 BDUFESACSZLLLK-UHFFFAOYSA-N 437.518 1.570 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1286419675 CLJDDUGJIXPZMO-GOSISDBHSA-N 428.562 1.488 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286604300 QZDXPLYNGOSBBY-UHFFFAOYSA-N 440.957 1.668 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1286610748 ATYIMIPDFQZXAK-UHFFFAOYSA-N 432.569 1.734 30 10 IDEE C=C(Cl)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1286627491 GPTMHWGWUHESMG-UHFFFAOYSA-N 427.896 1.754 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286786007 MJENHFGDRZWGMP-UHFFFAOYSA-N 426.496 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286819441 KUSWZJLKOQJQFS-MRXNPFEDSA-N 430.596 1.550 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1294879480 CQMICKABTOQRHY-SFHVURJKSA-N 438.492 1.556 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1296625011 DCJFLJJCKRBLTB-VTFIKYRWSA-N 444.536 1.693 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnc(Br)cn1 1297794602 RWPYZCBGCZQEGB-UHFFFAOYSA-N 438.307 1.374 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCCC2)CC1=O 1298892086 GKPXSPULXLCTNL-UHFFFAOYSA-N 437.548 1.883 30 10 IDEE CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCc1cccs1 1299897779 WSOSBLPWDZBHID-QGZVFWFLSA-N 434.543 1.765 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1300698483 SZZMGGIDZUFWTF-QFBILLFUSA-N 426.496 1.591 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)CC1 1300726431 KUNILFFBXRYHMK-UHFFFAOYSA-N 447.536 1.018 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1300780749 VZHSZGXCJQDOHB-KZULUSFZSA-N 439.492 1.656 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1300849540 QVDQECDTOZSMLQ-YJBOKZPZSA-N 426.359 1.992 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1n[nH]cc1I 1301170142 AVBYKFHQDYGJNZ-QMMMGPOBSA-N 445.242 1.191 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCOCC1 1301294868 UDALBXRYGPBQNQ-GOSISDBHSA-N 426.569 1.795 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccncc1 1302092423 IZLTXHMNFLNPHL-PXNSSMCTSA-N 425.537 1.816 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1302450698 ATKWEJDECYLZEE-UHFFFAOYSA-N 433.520 1.611 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1358886038 WNGVPGBOWAXCIO-IRXDYDNUSA-N 436.516 1.938 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1358929659 FINFWNRRQZDKSD-JKSUJKDBSA-N 434.541 1.700 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1358967492 LNAGETXMMRMHOX-SFHVURJKSA-N 442.545 1.446 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1358992580 PVPQKCVCXWKWHV-NRFANRHFSA-N 432.528 1.577 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359012888 BYHFIDUJYWYXMT-ROUUACIJSA-N 442.543 1.206 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2Cl)CC1 1359029353 VRAXWYKLHZGAOJ-HNNXBMFYSA-N 436.969 1.345 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359037665 RWRIZQQBSGFSAP-FQEVSTJZSA-N 428.581 1.261 30 10 IDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1359053391 LKPDQTOFNQWPEU-UHFFFAOYSA-N 430.553 1.661 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359302919 YBXZSDNTPQTJHE-UHFFFAOYSA-N 441.536 1.623 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C1 1359322471 WDDJTNCHTTYYLI-IAGOWNOFSA-N 425.555 1.192 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCCO[C@@H](C)C1 1359326655 GVHCSEOVQDSNAD-HNNXBMFYSA-N 427.571 1.413 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1360468230 ZOCMNZASPJSBPM-IAGOWNOFSA-N 426.525 1.653 30 10 IDEE CC1(C)CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1360817039 CLPVDKCKFXVEFN-GOSISDBHSA-N 444.561 1.713 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)CC2=O)cn1 1462324519 DZAKZDVPNXZIKI-GOSISDBHSA-N 433.472 1.638 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1466064700 QUQJXPNXJRFSBT-CUSZFKRNSA-N 426.521 1.888 30 10 IDEE CN1CC[C@@](Cc2ccccc2)(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1467707540 PUMQVBLMCXGINL-SQJMNOBHSA-N 430.508 1.867 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCOC1 1503416026 RYBGIWPJOJTYMX-AEFFLSMTSA-N 430.534 1.323 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CCO1 1503783952 SSNNCYBDXOQRNQ-GOSISDBHSA-N 442.520 1.495 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1507641956 FYDIAEGPEZWDHA-HNNXBMFYSA-N 448.549 1.313 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1507643763 ZGWLEKOPUIHZRK-HXUWFJFHSA-N 435.528 1.967 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1507667038 JVGUKNDCHHJAHE-IAGOWNOFSA-N 428.537 1.853 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1507709825 BLCHYROWSRQTMZ-MRXNPFEDSA-N 429.525 1.982 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1507712853 RACBGXYZLUNVHG-ZDUSSCGKSA-N 437.426 1.367 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2(C)COC2)n1 1507716396 KBDRCEZQDDINRV-GOSISDBHSA-N 428.537 1.691 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507751642 QOVNUBRTFBAXLI-INIZCTEOSA-N 441.623 1.399 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(C)C)CC1 1507883845 ARRRNASQNYDAJS-INIZCTEOSA-N 429.612 1.909 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507952635 WZDBAROXBRWIRO-ICSRJNTNSA-N 443.596 1.356 30 10 IDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507964581 DPPHHIWQKRUGSB-INIZCTEOSA-N 439.607 1.993 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCc2ccccc2)C1 1508058792 FSLVMRYKXCJLTO-OALUTQOASA-N 447.561 1.593 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1508078655 FUNDOSLXDOGKBZ-UHFFFAOYSA-N 426.477 1.335 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1508146976 GBRGIXZSMLTDQN-OALUTQOASA-N 448.637 1.980 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](OC)C2)nnc1[C@@]1(OCC)CCOC1 1508149415 UNWYADQLFPTQNL-QFBILLFUSA-N 428.555 1.146 30 10 IDEE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1508237470 PFKVZODHFLFMAP-AWEZNQCLSA-N 434.460 1.495 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)S(C)(=O)=O 1508428453 AELXRLOPZGSNDB-KGLIPLIRSA-N 439.563 1.119 30 10 IDEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1514058576 IAHIAAJYMJZADV-HRAATJIYSA-N 429.546 1.993 30 10 IDEE C#CCOc1ccc(COC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1 1538169097 BQYWRRMXXVCYGG-UHFFFAOYSA-N 436.507 1.874 30 10 IDEE N#C[C@@]12CN(C(=O)C[C@H]3C(=O)Nc4c(Br)cccc43)C[C@H]1CS(=O)(=O)C2 1538310502 YIJQJULBMLYCTQ-BFCNOCSMSA-N 438.303 1.272 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O 1539288995 KPRJTLOHMRQICX-UHFFFAOYSA-N 443.573 1.777 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCCC)CC1 1539482480 TYLIMOMKRNCNMH-GOSISDBHSA-N 430.553 1.054 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539517479 ONVBETJEEILBKL-YJBOKZPZSA-N 448.570 1.780 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CCC)C1 1539617062 UJBFIGHHWLZELE-MLHJIOFPSA-N 441.598 1.875 30 10 IDEE CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)COC1 1541207450 LRWVEOJRPSOLIA-LSDHHAIUSA-N 434.497 1.152 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)CC2=O)cc1Cl 1544604920 PFPJJOCVHWYGRD-IZDJOXEWSA-N 429.864 1.059 30 10 IDEE CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1546893964 DSSGICLTUSYCKQ-JSJMYKNQSA-N 443.552 1.634 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1552920038 GLOOICRNBDBUCF-RTBURBONSA-N 445.545 1.636 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1554201173 GDIZYRSZSGCRPK-UHFFFAOYSA-N 431.547 1.801 30 10 IDEE CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccc21 1558463867 AJCBMKFZVDOGMB-SFHVURJKSA-N 425.514 1.992 30 10 IDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1558778608 ZKLYUKQJAZXUGT-KRWDZBQOSA-N 445.520 1.705 30 10 IDEE C#CCN(C(=O)NCC1(N(C)Cc2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1565323091 QQXIRDOTDQDYCT-HXUWFJFHSA-N 433.574 1.500 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1587627697 WHLJJUMTTDZHBO-MAUKXSAKSA-N 426.496 1.711 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587749232 CDDLDVICGLJMBZ-WIYYLYMNSA-N 436.564 1.527 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588069141 IADIVGZDAFSMAQ-INIZCTEOSA-N 448.545 1.263 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588967835 BRNSBMDSZNQAAH-GUDVDZBRSA-N 431.537 1.147 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1588975243 FWFJLSNSBZWDBM-QGZVFWFLSA-N 431.566 1.577 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1589110014 NMCYMIQFYGXGGN-OAHLLOKOSA-N 444.527 1.840 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1593660717 STGYWAZDTNMNDT-UYAOXDASSA-N 443.596 1.356 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1595219138 QIBQGORTFSIMAF-QGZVFWFLSA-N 437.566 1.837 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCC(=O)NC)cc1 1595607271 CUWOECOOWPPBPZ-UHFFFAOYSA-N 426.521 1.700 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)NC)C1 1595700464 OGCUCTQHIVEGON-AWEZNQCLSA-N 426.930 1.324 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccn3C)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1596282098 CEWGBGZSKOSKPS-UHFFFAOYSA-N 446.559 1.956 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)COB3O)c1 1596611076 FSJBJUJCQBBAAA-GFMRDNFCSA-N 441.318 1.750 30 10 IDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1618071738 RRGLNNYUNRATBN-VXGBXAGGSA-N 426.336 1.791 30 10 IDEE COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1619882819 KXEMSEHCGQQRBI-OAQYLSRUSA-N 439.564 1.906 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)[C@H]1c1ccnn1C 1624734585 CCLKVRLZGLXJQF-RTWAWAEBSA-N 433.472 1.464 30 10 IDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(=O)NO)cc2)c(OC)c1 1626239888 ZMTMYDIQVQYMDU-SFHVURJKSA-N 427.457 1.744 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1630290929 HNIRVBBHKNKMKM-RTBURBONSA-N 434.562 1.041 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1633261754 MHZLVKHITMMUGZ-APWZRJJASA-N 442.541 1.624 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)CC1 1638848028 GKMUIBPMZNBDGQ-QFIPXVFZSA-N 441.557 1.995 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)ccc2c1=O 1641593045 NOPSUUPPTOLDMG-UHFFFAOYSA-N 434.543 1.121 30 10 IDEE N#Cc1cn(CCC(=O)NCCc2cc(Cl)cc(Br)c2)c(=O)nc1O 1644489290 YIHHCPKNMGGAMD-UHFFFAOYSA-N 425.670 1.985 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)CCOC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1644788595 ZEVHTIGRTSMMKF-UHFFFAOYSA-N 445.582 1.192 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(C#N)cn4)C3)[C@@H]2C1 1650819509 OOTXLIGCSRFRDW-UAGQMJEPSA-N 427.461 1.608 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC3(CC2)C[C@H](O)CNC3=O)n(-c2ccccc2)c1C 1655776577 SWNPGCUQMRAUMH-IBGZPJMESA-N 435.528 1.867 30 10 IDEE C[C@@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1659525092 SRGHSSRBDMCJPZ-QFIPXVFZSA-N 426.542 1.908 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)CC1 1660434685 QUCLRUUFGVOYFP-GCJKJVERSA-N 437.585 1.030 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)CC1 1663574990 UKDJVMAZPHOWDC-UHFFFAOYSA-N 445.538 1.128 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 1677890877 DCHQKGDALSYFQR-UHFFFAOYSA-N 428.533 1.842 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1682096517 WWWMQKGXIPPYDL-PZJWPPBQSA-N 430.524 1.240 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)C1 1682384778 KUNVMWPVVUSUCZ-QFIPXVFZSA-N 425.489 1.626 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1687441540 PZUGGUKUNAMRNA-GOSISDBHSA-N 434.548 1.520 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1689841763 NTCANMTYCIQORX-INIZCTEOSA-N 447.561 1.846 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCCC(=O)NC 1689914810 DTUCGSHILUCTQJ-UHFFFAOYSA-N 445.593 1.922 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCC(OC)CC1 1689954017 IQRMJTSTODARDN-UHFFFAOYSA-N 449.563 1.880 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1689998364 KGJOQQXYTVJJRE-OTWHNJEPSA-N 436.578 1.985 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCSCC1 1690098587 NZQSHVYNVFNFNY-UHFFFAOYSA-N 443.573 1.851 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1690109153 IKIVTYSKRNBYGO-PMACEKPBSA-N 428.581 1.865 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1690204468 LGBZSGXPTMLBDS-PGRDOPGGSA-N 441.557 1.836 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1690507525 OTAHHYUCAHIZCS-QGZVFWFLSA-N 437.504 1.901 30 10 IDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCS(=O)(=O)C1 1690523457 ARKLANPTUMTWOZ-HXUWFJFHSA-N 429.502 1.772 30 10 IDEE CCCN1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)C1 1695362637 CSJBBWUNJZVYEM-SJORKVTESA-N 443.577 1.730 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1695495948 APKSKOIKAZPYJD-HXUWFJFHSA-N 448.531 1.705 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCCNS(C)(=O)=O 1696688542 QYEVSQNMRKOELF-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1705540527 CYXRFPKXWKCLKP-HNNXBMFYSA-N 435.937 1.366 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705570619 PCIRYYSSIWUYML-GOSISDBHSA-N 446.573 1.665 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1705624906 SLBWUWUEQOEVNV-XDOYNYLZSA-N 434.500 1.866 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCSC2)CC1 1705642606 ADJORNLWEPLPEF-QFIPXVFZSA-N 427.574 1.789 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(OC)CCOC2)CC1 1705648880 BJTFORABBOLOBP-JOCHJYFZSA-N 426.521 1.055 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccnn2)CC1 1705898205 DSCUXWCAXQJTAO-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705931806 AYRWUTOKEOEPNF-TZMCWYRMSA-N 446.455 1.492 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC(F)(F)CO1 1706870140 WNEWQPJZSIRTPR-GXTWGEPZSA-N 432.497 1.443 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)OC 1712647295 UHIHLJUHVYDUQJ-QRFRQXIXSA-N 441.536 1.630 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1722382923 KLBUFQVJGNKHFZ-ZWKOTPCHSA-N 440.548 1.744 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1722399665 DWZAYZYJSNJCGO-SIKLNZKXSA-N 429.590 1.453 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2OCCC2(C)C)CC1 1722444679 MNCHQACZSVWOAT-MJGOQNOKSA-N 447.580 1.783 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)c2ccco2)CC1 1722445618 TVYDLCDLEMJVRS-UHFFFAOYSA-N 446.511 1.934 30 10 IDEE C=C(C)Cn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722525557 CQDZRVSISUHIDP-IERDGZPVSA-N 432.525 1.368 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1Cc1ccc(C#N)o1 1723944560 YFBPQPJNABMJMV-VBQJREDUSA-N 434.522 1.407 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1(C)C 1730394030 VUMVTZAGVMBYCL-KRWDZBQOSA-N 432.550 1.569 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1)OC 1730464308 PBXFMEXCVPEEOK-OFNKIYASSA-N 440.548 1.779 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1731140514 NKZQJAPKKZLGNX-DRJQNRDASA-N 440.479 1.818 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(=O)OC)C1 1740583725 XKEDCNNBLTUWBD-INIZCTEOSA-N 444.561 1.959 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1740591967 RUUIPZFPJXHGMY-QGZVFWFLSA-N 437.566 1.031 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOCC1 1740608405 FDLMMIWEXXKTHD-UHFFFAOYSA-N 435.532 1.467 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740715434 AFTPMZOQFAPOJS-GXZWQRSESA-N 446.577 1.699 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740718305 LUZHXFVSMAEUJD-SFHVURJKSA-N 445.593 1.942 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740730317 WDRJALMPOYKSMJ-IEGUWTFLSA-N 441.580 1.164 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740857244 IKOWXSHEIXZCCB-UHFFFAOYSA-N 443.596 1.615 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740889936 NIMFLJFEOZYLAR-MDPIYQRISA-N 436.553 1.979 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1740959642 BIUAGZLTADYHKT-DOTOQJQBSA-N 445.545 1.270 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1747529284 UZMBDPWADCMPHU-UHFFFAOYSA-N 439.520 1.608 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748817454 KXSVFNBRVYTDDG-KUNJGFBQSA-N 426.608 1.405 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1748971368 MZMGEAWBIJZNHE-UHFFFAOYSA-N 447.584 1.475 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1749115111 LOMXXVFNAFFQJK-IEBWSBKVSA-N 432.569 1.750 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749261861 BJWVTVIVIBZQSN-KBXCAEBGSA-N 432.960 1.420 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(C)C)c1 1749666053 FMTXNNAMLVCYPS-SFHVURJKSA-N 426.521 1.955 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)cc2C1 1749669354 JUSFLLSVUSLZEM-OAHLLOKOSA-N 449.964 1.699 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1749672031 NZGLICDOWZBWNF-UHFFFAOYSA-N 425.942 1.305 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@](C)=O)CC2)C1 1749718256 UMLFISPXIQRKFL-JGVYIQDASA-N 449.602 1.962 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOC(C)(C)[C@H]1C 1749738043 CYSCVCSNZLFKLT-QGZVFWFLSA-N 436.582 1.744 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccn2C(F)F)CCOC1 1751025863 JMAZSWFWAQCCJX-KUHUBIRLSA-N 437.451 1.687 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1751432902 PJMNTXYNFSGIRW-PKOBYXMFSA-N 444.561 1.332 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1760162557 ASEWLMOKAVQRHH-CQSZACIVSA-N 431.497 1.331 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1c(C)cccc1C 1760175817 SBGIHXAJTUZUCP-SFHVURJKSA-N 447.561 1.376 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760185937 HEDXDVDDMIHKEI-LSDHHAIUSA-N 430.521 1.918 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760224639 SQYGNORBUNLIQI-UHFFFAOYSA-N 438.576 1.881 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1760257702 FOAVMLIRZGYUGW-PMACEKPBSA-N 437.592 1.983 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N(C)C2CC2)CC1 1760271709 HZUUHKNOZWCTEJ-GOSISDBHSA-N 435.576 1.712 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1760448117 WKRQJZMNZQFUQQ-INIZCTEOSA-N 427.571 1.488 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1)C1CC1 1760473899 ISXPDBGPZNQDEB-GOSISDBHSA-N 429.546 1.999 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1 1767214900 DIBKDZREHJUCTO-UHFFFAOYSA-N 447.547 1.165 30 10 IDEE COc1cc(C)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1769788623 DMUBHMRKOARCBZ-HNNXBMFYSA-N 432.550 1.994 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1770788924 SBYVDMGZSROQIJ-KRWDZBQOSA-N 436.513 1.273 30 10 IDEE C=CCN(C(=O)Cn1nc(-c2cc(OC)ccc2OC)ccc1=O)[C@@H]1CCN(C)C1=O 1849756127 MFDZMJLUHXRNJL-GOSISDBHSA-N 426.473 1.173 30 10 IDEE COc1ccc(N(C(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)C(=S)N=CN(C)C)cc1 1852388966 MNVBCTAOCRQCHT-AWEZNQCLSA-N 427.530 1.802 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1 1855713279 YYDWAAIQCBWGJM-NVXWUHKLSA-N 436.509 1.199 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cccc(F)c1 1857093015 IQDKLAPFJOUSRG-HNNXBMFYSA-N 429.473 1.829 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCC(C)C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865720271 PDOLODRDNRDVBM-MRXNPFEDSA-N 440.500 1.116 30 10 IDEE CCN(CC)CCCNC(=O)[C@@H](CCSC)N=C1NS(=O)(=O)c2ccccc21 1869933854 PZEPULHKRILSIO-MRXNPFEDSA-N 426.608 1.695 30 10 IDEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(c3ncccn3)CC1)n2CCCOC 1875221342 LATISSQTVYAZBE-UHFFFAOYSA-N 436.520 1.818 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCc3ccc(OC)cc3)ncnc21 1875228289 IVNHDOSWLURKHN-UHFFFAOYSA-N 439.516 1.707 30 10 IDEE C=CC1(NC(=O)[C@H]2C[C@H](O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993277641 KWUSIMDHWDGCTQ-GJZGRUSLSA-N 425.526 1.896 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2247824015 UIIWQGWMSWIBNZ-GFCCVEGCSA-N 441.359 1.366 30 10 IDEE Cc1csc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247832038 IPDLMPJHXCFXLE-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE C=C(CS(=O)(=O)NC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962936 RZJYMIZKNVVEDZ-UHFFFAOYSA-N 446.331 1.168 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255543917 QESOOZXJANIIQS-UHFFFAOYSA-N 434.346 1.920 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCN(Cc2ccccc2)CC1 2255872864 FNFRWPRTFAPLCM-UHFFFAOYSA-N 425.342 1.509 30 10 IDEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067914 VAICNUZYPFETLM-UHFFFAOYSA-N 434.302 1.400 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2257491732 PLADLJBKSLPQLD-OAHLLOKOSA-N 435.330 1.305 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266994928 BDDSOTKORAFBPX-OLZOCXBDSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267163672 IQPHJFWQICOPMI-NUEKZKHPSA-N 444.341 1.761 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267182207 CRFLCGPQXVAAFU-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267265488 GQMZYPQENWCKBT-HNNXBMFYSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)NCCc1n[nH]c(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)o1 2267554234 XSSMHFKIYJNFQQ-UHFFFAOYSA-N 448.285 1.703 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)cc1O 2327884312 KVXLXPWUWPJFTQ-ZDUSSCGKSA-N 447.517 1.951 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2337197524 XRBYEKMXOLQQGH-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N 59914576 ZDLLBGCEWXKRQR-ZVBGSRNCSA-N 447.500 1.113 30 10 IDEE CC[C@H](O)[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 96031655 OBFKEHNWUXWRPI-YAIXPLJFSA-N 446.540 1.688 30 10 IDEE in-vitro COc1cc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C#N 427230839 RVACPFZLNOSJHQ-KZNAEPCWSA-N 433.530 1.293 30 10 IDEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 429465169 KJOHSXMDCGEOQA-ZXYWRSMDSA-N 439.495 1.706 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 443922665 WPIYIEFAJBMNFW-UHFFFAOYSA-N 430.530 1.887 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCCC 447782760 IZDBAGKPZFYVLV-UHFFFAOYSA-N 433.537 1.701 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccco1 460548209 YKINNVAAXIIVIK-QGZVFWFLSA-N 439.538 1.433 30 10 IDEE CC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 478374093 HCPNFDHHUBYYDZ-KGVIQGDOSA-N 426.473 1.560 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3COCCN3CC(F)F)c(C#N)c2N)cc1 483629034 BWGMUMOGIYRTCE-SFHVURJKSA-N 432.475 1.649 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)cc1C#N 489096620 DBSKLLPIPDFMFA-UHFFFAOYSA-N 433.578 1.655 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 493517177 BAAMTXGNCMFXLY-UHFFFAOYSA-N 436.759 1.711 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 505649643 RJNXCZXNMJOLJU-UHFFFAOYSA-N 437.562 1.643 30 10 IDEE N#Cc1cccnc1N1CCN(C/C=C\CN2CCN(c3ncccc3C#N)CC2)CC1 506937684 RSMFBFUBYRDBAM-UPHRSURJSA-N 428.544 1.720 30 10 IDEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510612498 FOEZHWOTUUXFKB-QGZVFWFLSA-N 431.884 1.045 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C#N)c1 517305063 ZYTDBOGKEFPQBH-KGLIPLIRSA-N 430.486 1.377 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccnn2Cc2ccc(OC)cc2OC)CC1 547665553 CWUDMWSOTYPBEN-UHFFFAOYSA-N 442.520 1.400 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@H]3CCOC3)CC2)n1 559243342 UHMAKBYKQAITKS-SFHVURJKSA-N 430.516 1.894 30 10 IDEE C=CCOc1cccnc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 567922295 XIOOROUMRJCJKZ-QGZVFWFLSA-N 438.532 1.223 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)OCCOCCCC)nc1C 586304602 PWDGICLUUBCFKY-LJAQVGFWSA-N 446.547 1.841 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c(F)c1 609439831 OQSYPSWYPKOJOH-KRWDZBQOSA-N 445.472 1.905 30 10 IDEE C[C@@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cn2)C[C@@H](C)O1 610194887 RHDFOVYHEQAAED-CHWSQXEVSA-N 437.909 1.845 30 10 IDEE Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610221187 KLLBURKISZCQDR-HNNXBMFYSA-N 429.546 1.620 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 614770061 WZQVSLASBDKUHG-ZDUSSCGKSA-N 435.527 1.390 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1-c1ccccc1C#N 619695645 XKUJTEHIXHIGMG-UHFFFAOYSA-N 434.452 1.167 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cc(C)ccc1C 729669017 XSVFKWWYHNUQNL-UHFFFAOYSA-N 429.505 1.413 30 10 IDEE Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909481 BBLRCCVMLILREU-GFCCVEGCSA-N 425.532 1.621 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cc(C)cc(C)c3)c2=O)cn1 735069212 OMMKDZJODLRGLQ-UHFFFAOYSA-N 447.564 1.904 30 10 IDEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742408609 MALIHTGFROYXBJ-INIZCTEOSA-N 428.514 1.630 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 748066189 RVUVYHMVGSUADM-UHFFFAOYSA-N 426.494 1.215 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 759791911 HPZOMMDYQAOUSH-NXVVXOECSA-N 444.307 1.653 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)n(C)n1 770797633 ZSPJNLOPZDFZCV-IKGGRYGDSA-N 431.541 1.756 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771293417 LZVLVQGSSBIXFD-XMMPIXPASA-N 448.479 1.772 30 10 IDEE Cc1cc(C(=O)OCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nn1-c1cccc(C#N)c1 780198209 IZXRLLFQRBZDNT-HXUWFJFHSA-N 439.516 1.682 30 10 IDEE C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781659767 DPRPRIJKHSRNRG-UHFFFAOYSA-N 444.516 1.705 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H]2C[C@H]2C2CC2)C1=O 797425502 JXDOPHWFOLNXGN-LEUVZBKYSA-N 429.590 1.791 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 806268471 HYKOUEGMRNYACC-IBGZPJMESA-N 441.557 1.919 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C)n1 809823472 BUKVAFXCSUQHEX-UHFFFAOYSA-N 441.923 1.881 30 10 IDEE Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)n1 917335441 MOOGNQKPTSTJJL-UHFFFAOYSA-N 442.497 1.260 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cn1 1084641185 MXXSDBWQZNBAAX-UHFFFAOYSA-N 429.510 1.320 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1)c1cc[nH]n1 1147421712 VFENPORLYHSPQG-JOCHJYFZSA-N 440.456 1.720 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)CC1 1152967257 CKKMFZKOTMEOAP-UHFFFAOYSA-N 426.470 1.314 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1156253329 CXAQTICZUASASD-GOSISDBHSA-N 427.530 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1161901317 FOEONBFFMLFCSM-KKSFZXQISA-N 448.545 1.742 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@@H](O)CC4(C#N)CCC4)C3)[C@@H]2C1 1197231037 TVZNDWBTLVWXFU-FJIDUMEYSA-N 434.537 1.946 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)c1ccccc1 1252459918 ZXGWDEIVVQSBMG-KURKYZTESA-N 433.530 1.789 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286276436 RFHRAUPUIRZTQC-SQGPQFPESA-N 439.582 1.201 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286324931 RGXZVHMPJAUPAK-AOMKIAJQSA-N 428.537 1.790 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286393777 RZYLJUFMEYRUHY-GOSISDBHSA-N 433.578 1.306 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncccc1N(C)C 1286404588 UEANNXHCLDPPPH-UHFFFAOYSA-N 438.499 1.503 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCC(=C)C)CC1 1286493929 XWOYRPUUUCRGMY-UHFFFAOYSA-N 439.564 1.698 30 10 IDEE C=CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286690700 VCQDIKIZYXQEFM-VGSWGCGISA-N 446.552 1.759 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN1CCCCC1 1286726960 LCSCZYHEPVZXFW-ROUUACIJSA-N 440.614 1.355 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1286773850 UESOHQBINFHNTJ-KXBFYZLASA-N 440.591 1.788 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CCOC)C1 1286808396 LFPASYWZLMBCEZ-BTYIYWSLSA-N 433.509 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286823579 WJKCEWVHOSOEAB-MRXNPFEDSA-N 430.596 1.235 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1287136014 FTWXDQLJBPZANW-UHFFFAOYSA-N 447.547 1.649 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1288304227 CFYHHIOGGSOTPZ-NHCUHLMSSA-N 446.483 1.784 30 10 IDEE Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1289198474 DZRQTBFKRFQWDP-UHFFFAOYSA-N 431.547 1.767 30 10 IDEE C#CCN(C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1291930294 ZQVLHHZJEFQEDZ-KRWDZBQOSA-N 439.965 1.347 30 10 IDEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1298375521 HKOHSDVWMZSTCN-UHFFFAOYSA-N 441.517 1.309 30 10 IDEE CN(CCC(F)F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1298609300 QJVPSUHSGXWATB-AWEZNQCLSA-N 444.464 1.215 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1300578641 NSTNMZJOWQMHML-IBGZPJMESA-N 449.540 1.272 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1COCCO1 1300606553 NSPUXDHHFXSNKJ-QGZVFWFLSA-N 433.534 1.070 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCCC2)CC1 1300710788 LHWVEHJIXPRULK-SFHVURJKSA-N 443.596 1.114 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cccc(C)n2)CC1 1300723686 ZOIUWWLEAHQAGJ-HXUWFJFHSA-N 449.559 1.531 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1300872656 GSBWUZRCCFWSOO-ROUUACIJSA-N 432.569 1.702 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCO1 1300875734 QAGMDZKDCUOULV-VQHPVUNQSA-N 427.571 1.485 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300960909 SJLFPFTTWIJNIS-UHFFFAOYSA-N 429.569 1.111 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1300972741 PLRSWWKNRHTPDF-RDJZCZTQSA-N 439.538 1.652 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1301017419 JCFDPGHDEXCAJA-ZDUSSCGKSA-N 433.962 1.763 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304911503 LLCDKNMKMFUODA-YKHTYXQRSA-N 429.525 1.425 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 1308042883 DVGZNXHZRRFTHS-UHFFFAOYSA-N 427.530 1.617 30 10 IDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)c1=O 1313848451 APOMNKDFNJFBIW-UHFFFAOYSA-N 447.499 1.237 30 10 IDEE CO[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315155486 HKMFESBNYWJGIZ-INIZCTEOSA-N 447.503 1.554 30 10 IDEE CS(=O)(=O)C1(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1316335628 DUMGEMSHYUTJEK-QGZVFWFLSA-N 430.534 1.350 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCn1cncn1 1358886082 XJGMBAIFZFQBSW-INIZCTEOSA-N 431.504 1.986 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1358927715 HOSMYWYKLFJPLW-MRXNPFEDSA-N 426.546 1.975 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1358966762 WKIZWDMTMFBELT-FQEVSTJZSA-N 427.574 1.994 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1358999889 GKMHIGWXBZZECM-HNNXBMFYSA-N 442.545 1.953 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1359010671 WBVPKEKQNJBUTJ-GOSISDBHSA-N 439.582 1.277 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1359027326 FKQXBQNBPHMHBE-HDICACEKSA-N 443.552 1.917 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C2CC2)N(C)C)CC1 1359038475 XQSMPDDSCZWLKX-SFHVURJKSA-N 441.605 1.365 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1359092331 ZPCKGECGZPXKJW-JQHSSLGASA-N 436.582 2.000 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1359301305 WHQRAIGWSWSDSU-ROUUACIJSA-N 438.532 1.574 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1360312434 RPXYRMNPNVTBTR-HOTGVXAUSA-N 432.550 1.758 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1360338399 CZEKMVLJEOEAAU-JOCHJYFZSA-N 442.520 1.923 30 10 IDEE COC(OC)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1448358068 UZNMOOSIIDMWTM-AUUYWEPGSA-N 431.514 1.980 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@H](O)CN(C)OC)c1 1466115155 WDZUYAMFJLNFLP-HUUCEWRRSA-N 431.921 1.712 30 10 IDEE NC(=O)C1=NO[C@H](CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1470135692 JQWNZTOZCQCMNH-ACZMJKKPSA-N 438.275 1.429 30 10 IDEE CC1CCN(Cc2csc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)CC1 1473824068 XCKBYBOACTWPOK-KXBFYZLASA-N 437.591 1.184 30 10 IDEE Cc1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)s1 1492771759 SYNZIBSYKLHENA-GFCCVEGCSA-N 449.338 1.983 30 10 IDEE Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1\N=CC=CC1=O 1492784499 FSGZSRWDBHVXGQ-VHEBQXMUSA-N 425.449 1.700 30 10 IDEE CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503259535 OSJFPKGWHNXRGT-KRWDZBQOSA-N 446.533 1.489 30 10 IDEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCCO4)n3CC(=O)NCC(F)F)CCO2)c1 1505318576 YSJZEIUVHCYDCD-IAGOWNOFSA-N 446.458 1.960 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1507515412 HFPHORJBTUCYBZ-DLBZAZTESA-N 441.561 1.639 30 10 IDEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1507562663 MULVZKMRCVHPAJ-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1507628490 HTXUOSIVVRITHE-GOSISDBHSA-N 439.545 1.562 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507641233 ZSEVTXOIGXKOGR-MRXNPFEDSA-N 448.545 1.263 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccnc1C 1507687877 UFYVHAZTOYHBTP-UHFFFAOYSA-N 428.500 1.993 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1507708430 IADFAAIQXJAGQD-UHFFFAOYSA-N 432.546 1.865 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2C[C@@H]2C)n1 1507713997 FUGMFLLMSKERGU-ZWKOTPCHSA-N 425.537 1.653 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507721079 YFBMYCBIOMNUJO-JTAQYXEDSA-N 447.580 1.125 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CCOCC2)CC1 1507733944 OMXQZIBYGYFWAZ-UHFFFAOYSA-N 430.553 1.199 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1508144938 UZAMFBQNIBILJT-ROUUACIJSA-N 432.594 1.784 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1512403837 GLRPHMRTILCVHS-SBUREZEXSA-N 438.532 1.973 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1 1515995578 ZAXICHOZTPIPCS-UHFFFAOYSA-N 447.490 1.704 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)CC)CC1 1516757311 XGCYCBKQIALMJF-SSEXGKCCSA-N 430.578 1.744 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 1528251760 BHESQVJMTCLSLE-JSGCOSHPSA-N 447.307 1.026 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)CC2)C1 1538583174 PQCCGWQCSMKHLC-UHFFFAOYSA-N 438.477 1.325 30 10 IDEE C#CCCCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1539139603 GJSREBSWCOMKER-JOCHJYFZSA-N 441.536 1.469 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCOCC1 1539230839 LRFTZRYUFORNGO-JOCHJYFZSA-N 446.555 1.660 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCCOC)CC1 1539453135 DMDYUYDQZBPLNG-UHFFFAOYSA-N 447.543 1.488 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1)C1CC1 1540107608 BWUQBPSXASVGKK-SFHVURJKSA-N 433.534 1.520 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1540109503 YSQAEWCQXTUIGB-ZWKOTPCHSA-N 429.569 1.327 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1540862853 KSPHTIDWBZGBLJ-RTBURBONSA-N 445.612 1.330 30 10 IDEE CC1(C)CN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCO1 1542012750 FNTXJRNFTLZQDR-MRXNPFEDSA-N 431.928 1.833 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)C2CC2)c2ccccc2c1=O 1547737052 AXAXTDQHLZKIFA-OAHLLOKOSA-N 448.531 1.797 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@H]3C[C@H]3CCOC3)C2=O)cc1 1585475930 CRTQIYRPTCZFNM-BHIYHBOVSA-N 426.473 1.417 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1587803607 HLGLVSIGFCBLHD-IBGZPJMESA-N 442.951 1.796 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587883709 JUWZIVPTGRCDJH-IBGZPJMESA-N 447.499 1.615 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1588054408 NPWBGEQKEIWOCV-IEBWSBKVSA-N 430.530 1.900 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(OC)CCOC1 1588094241 WFFUMRBLXIXRTQ-HSZRJFAPSA-N 440.500 1.849 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(N)=O)CCCC2)CC1 1588769015 NARWNFWBNWWGGQ-UHFFFAOYSA-N 437.504 1.654 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1589216869 ZIDDNMCTNONPIA-WOIUINJBSA-N 449.621 1.529 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1589242813 KTXAEUIBCSLXRX-OAQYLSRUSA-N 442.545 1.121 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1589305310 QDHCRCLSWUASHL-GUYCJALGSA-N 428.331 1.627 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1595119626 CAAIRVONWDIJOL-QHCPKHFHSA-N 442.539 1.912 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1595466021 CISCCCIECZIUAI-UHFFFAOYSA-N 447.927 1.447 30 10 IDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1612335136 GBHHXQJVCNPGLL-UHFFFAOYSA-N 430.534 1.824 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1612966337 IUMVNPXLRHZNDK-BZROSYFNSA-N 437.504 1.406 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)c(=O)n1C 1614781155 PMNLCPGGYKWPTD-UHFFFAOYSA-N 428.404 1.411 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNC(=O)C2CCC2)CCOC1 1616186856 TWSBHEVNSANXBE-QFIPXVFZSA-N 430.553 1.977 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1620158811 HHTKEJSQVKOXBU-RBUKOAKNSA-N 443.529 1.697 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1620356008 QLGGMRYHOXXJDZ-IKGGRYGDSA-N 440.495 1.604 30 10 IDEE CC(C)NS(=O)(=O)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1625818285 RBZMBRLAROSYOJ-UHFFFAOYSA-N 429.340 1.201 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1628385739 CGDQOZUBLHZEBU-UYTDBDHRSA-N 434.493 1.045 30 10 IDEE N#Cc1cccc2c1CN(C(=O)CCCNS(=O)(=O)c1ccc3c(c1)OCCO3)C2 1631762966 CMTAPDVQRDKVGD-UHFFFAOYSA-N 427.482 1.930 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)s1 1633301513 SJNKEZBHWNINPN-UHFFFAOYSA-N 449.620 1.122 30 10 IDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CN(C(=O)OC(C)(C)C)C1 1634025747 CSMBJVMPEQFSGQ-UHFFFAOYSA-N 439.538 1.056 30 10 IDEE C=CCOC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1635159015 QOMZVTINKPPARE-INIZCTEOSA-N 444.488 1.505 30 10 IDEE C=CCCn1cc(C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)nn1 1635392290 QVIJYAYZSSMRNG-UHFFFAOYSA-N 429.282 1.926 30 10 IDEE CCOC(=O)[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@H](O)c1ccc(Cl)cc1 1641013732 QRHGTBADSLBJIU-DOGRUHBXSA-N 435.864 1.338 30 10 IDEE Cc1nc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)ccc1C#N 1643334703 DJMZIAYMFCOBRU-JQHSSLGASA-N 441.488 1.916 30 10 IDEE C#CCN(C(=O)Cn1cccc(C(=O)OC)c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1644789111 ALJQBDWAPHQQFB-UHFFFAOYSA-N 431.489 1.496 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn3ncc(C(=O)OCC)c3c2)cc1 1645435726 HXZCZVUCHSNXHJ-UHFFFAOYSA-N 426.454 1.675 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nccnn3)CC2)n(Cc2ccccc2)c1C 1654328203 XLMUCAZOBVUZNX-UHFFFAOYSA-N 430.516 1.971 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1 1654841503 XBZXYSQHCKJJTI-SFHVURJKSA-N 449.573 1.272 30 10 IDEE Cc1ccc(CNC(=O)c2nnc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)s2)cc1 1660452452 APSHBJRQQNUGKJ-HNAYVOBHSA-N 431.543 1.147 30 10 IDEE CCOC(=O)[C@@H](NS(=O)(=O)N(C)CCC#N)c1c(C)nn(Cc2ccccc2)c1C 1663256168 DJFCFKALVNNTPY-IBGZPJMESA-N 433.534 1.832 30 10 IDEE C#C[C@H](NC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1674026355 XPFDNIYOASYHHV-HOTGVXAUSA-N 429.336 1.969 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)CC1 1675293049 SNXLJJJMFLORBE-HNNXBMFYSA-N 447.586 1.974 30 10 IDEE CC(C)(C)OC(=O)NCC1(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1682475833 VWFPCIYDCRAQBI-IFXJQAMLSA-N 426.539 1.261 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1685843826 AILJADAFTWNGJD-CHWWFWEZSA-N 444.550 1.140 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690238767 NGIQWGCJDWOLQI-SXLOBPIMSA-N 441.532 1.886 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1690254905 KWWKFIFCUVLYDS-QMHWCDLVSA-N 447.580 1.970 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1690667947 NHZZLUSLYLDFQH-UHFFFAOYSA-N 429.431 1.929 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677010 KTFJNIXURFZAHL-JTSKRJEESA-N 448.568 1.116 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCN(C(C)C)CC2)C1 1690697594 YNFGGXLZSSEQTC-GOSISDBHSA-N 427.553 1.752 30 10 IDEE CC(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690980913 CDDDCCPLNDHJQJ-SFHVURJKSA-N 428.566 1.337 30 10 IDEE CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1693736714 CHENLTNYGPDXFM-MSOLQXFVSA-N 436.582 1.031 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1705587809 JURXJAXWRSUNBS-UHFFFAOYSA-N 432.528 1.727 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncn(C)n1 1705591461 CYJQGRHKYIRZMK-UHFFFAOYSA-N 435.488 1.611 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccccc2N2CCOCC2)n1 1705631716 OCRZFZCZHGIEGA-UHFFFAOYSA-N 449.559 1.954 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(C(=O)OC)CC2)CC1 1705762492 AMWIUMKWQUNHAO-OAHLLOKOSA-N 440.570 1.523 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705884329 LVJMIUZREHBJIL-HUUCEWRRSA-N 430.475 1.752 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1705905317 RBYNFAYIJOEUNN-SFHVURJKSA-N 430.940 1.929 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1705906855 QUANQCCIYMMNMO-KRWDZBQOSA-N 437.504 1.123 30 10 IDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705912431 JUTDEFUVSHSAMX-UHFFFAOYSA-N 440.548 1.180 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCn2ccnc2C1 1706864978 SZDIIHRJEIVMSJ-HOCLYGCPSA-N 432.554 1.087 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCC1 1712685405 FNQLSFZRHZSUCI-UHFFFAOYSA-N 442.545 1.486 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC(F)F 1722306992 XVVIOWMMOHCKSR-MCIONIFRSA-N 440.495 1.888 30 10 IDEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722319307 YFUDKAKPUGBJJZ-UHFFFAOYSA-N 425.541 1.150 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1Cl 1722351050 GAUMUTHKDKSEKO-KRWDZBQOSA-N 437.953 1.577 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722367103 VBMDBEJWZPVHJI-LEWJYISDSA-N 427.574 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1722399914 VGHUQZSNIHEXNT-LJQANCHMSA-N 426.546 1.151 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1722423631 KSENDDCOFOQRQD-JOCHJYFZSA-N 427.505 1.527 30 10 IDEE C=CCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722688964 CZNSGSZQZDHWCD-SFTDATJTSA-N 432.525 1.319 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740595904 ZZTFAZUVDLDVJE-UHFFFAOYSA-N 439.564 1.628 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1740622351 XSLZVHLUQWWUNF-GOSISDBHSA-N 448.593 1.637 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCOC[C@@H]2C)n1 1740689239 SLTSHICRBIABNQ-XUVXKRRUSA-N 442.564 1.937 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)NC(C)C)CC1 1740698214 AIHASELMLUQAGY-UHFFFAOYSA-N 433.560 1.951 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccco2)CC1 1740705282 FGXAENDFINCHQZ-WZONZLPQSA-N 441.532 1.639 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740784157 LZRXBXHGKPOIKP-OAHLLOKOSA-N 429.594 1.999 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC)CC1 1740882300 HIOPOZMDHQBFBD-UHFFFAOYSA-N 442.520 1.770 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740999583 CQTMYSYZBQPWAS-UHFFFAOYSA-N 442.593 1.399 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1748648001 WJGCEKDGJSSGHQ-QKKBWIMNSA-N 443.577 1.483 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1748906864 ZECCOIIKEZMTHT-HNNXBMFYSA-N 442.549 1.285 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1749116075 ZNHRZGOTZFBCBD-HKUYNNGSSA-N 430.553 1.600 30 10 IDEE C=CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749434055 FOVMLSORZIVRNF-GOSISDBHSA-N 438.532 1.587 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1749599429 FEZUNQWYWXVXRL-IBGZPJMESA-N 446.573 1.997 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1752278759 NEUKEZWGIVERDZ-WMLDXEAASA-N 446.458 1.820 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCNS(C)(=O)=O 1760173052 ICIISJGIPJELOR-UHFFFAOYSA-N 442.339 1.335 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760185935 HEDXDVDDMIHKEI-GJZGRUSLSA-N 430.521 1.918 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1760208751 YPMVRQPWOBCERN-KRWDZBQOSA-N 449.577 1.858 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)CC1 1760355719 TXTBKHIPOOSANN-UHFFFAOYSA-N 432.525 1.367 30 10 IDEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1760436563 UZNZRVVCMPNUAG-KRWDZBQOSA-N 434.566 1.870 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)CCCO2 1760464232 CHRCCTSNJATJAU-LJQANCHMSA-N 447.561 1.607 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760517885 BGMITEHBOOMNIE-UHFFFAOYSA-N 429.912 1.402 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)C1 1760541837 ANWXEOAOSRJERE-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760546285 MITFJGDFXHHLMD-VEGAHXMMSA-N 449.515 1.572 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCN(CCC)C(=O)C1 1760557034 XYXYUBWUOYRYCR-UHFFFAOYSA-N 446.577 1.313 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCNC(=O)CC1 1760557526 OIQNXTMIUGQOJR-UHFFFAOYSA-N 433.534 1.093 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1763512516 DMKJMMCOSYWLIF-PKOBYXMFSA-N 444.561 1.713 30 10 IDEE CCC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1765552965 HWBAOPVSWAXLDR-SFHVURJKSA-N 440.552 1.825 30 10 IDEE CCOCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1767947954 VHSSMCAWOFHQPJ-UHFFFAOYSA-N 441.536 1.462 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)N(C)C)CC2)n1 1769006276 YADFQLWOKSARFE-QGZVFWFLSA-N 447.547 1.892 30 10 IDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1769273355 AEQGXYMRUQWAMZ-UHFFFAOYSA-N 426.521 1.852 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@H]1OC 1770304574 PMFRONIRFNBKTC-SLFFLAALSA-N 443.504 1.384 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1770664329 WSJARYMIESUHRT-BKKXVALWSA-N 430.509 1.660 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c(OC)c1 1853391746 QOVZONAPIBMUQM-HNNXBMFYSA-N 436.472 1.067 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](C)C2=O)CC1=O 1854614733 KEJABPDZTOGKRB-KBPBESRZSA-N 439.921 1.123 30 10 IDEE CC(=O)N1CCO[C@@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@@H]2C)C1 1857474305 PMQOEUYJJIJOOK-YOEHRIQHSA-N 432.908 1.326 30 10 IDEE C=CCNC(=O)[C@@](C)(CC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593780 MIPUQSNZHHOELI-GAJHUEQPSA-N 431.533 1.682 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1C[C@H]1CCCO1 1870543900 WUEMCDXSPAOEAZ-LEWJYISDSA-N 445.560 1.875 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874431222 NKQVNFBIAGLFHR-KEBDBYFISA-N 433.494 1.665 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1891432159 UWPXGQNLPPZXRG-MRXNPFEDSA-N 434.452 1.615 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1985858595 HRBSBGJVTVFFRL-HUUCEWRRSA-N 428.530 1.965 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 2022893842 IKICABFVOHNQKL-FAGJFJLWSA-N 438.525 1.624 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255536066 DACCYKIQBYXVGQ-GJZGRUSLSA-N 436.314 1.597 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255613426 CFKATWMSJZGNCN-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE Cn1nc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255622721 DJJBDRUYLYZRLG-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632028 HLDQEUOLEDOKCE-STQMWFEESA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2255826939 FMTAZDBFQCXYPQ-QEJZJMRPSA-N 432.330 1.837 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267548372 RETWCDRJMMZZST-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@H]2C2OCCO2)OC1(C)C 2267708079 DCTOEIOPDVPDJA-ZDUSSCGKSA-N 430.357 1.109 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268645406 UTFBAZHJNSFGLB-SFHVURJKSA-N 446.353 1.756 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269083827 OHASDSBCNAWHMI-WMLDXEAASA-N 443.309 1.508 30 10 IDEE COC[C@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2305258702 TXZCDEFSSIGNGO-PGRDOPGGSA-N 432.521 1.691 30 10 IDEE C[C@H](O)CN(CCN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1)C(=O)OC(C)(C)C 2322311207 QCCMQJJOKBPPSR-AWEZNQCLSA-N 439.337 1.972 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2327828261 DBFGMVWRQCDGGK-CYBMUJFWSA-N 445.505 1.760 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2367820476 RFVXHKNGCFAULN-GSVIPDFHSA-N 434.558 1.755 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)cc1 20832454 UUISKGKLDIASHF-DJKKODMXSA-N 447.502 1.335 30 10 IDEE COc1cccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 31294981 QVYZKGYHMJPXLF-UHFFFAOYSA-N 428.514 1.190 30 10 IDEE C#CCN(CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)[C@@H]1CCS(=O)(=O)C1 111192721 TZLPEXVHKJZSLR-GOSISDBHSA-N 432.542 1.466 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCCC3CCN(CCN)CC3)nc2)OC1(C)C 204882774 WZEPRLORUAZSES-UHFFFAOYSA-N 438.403 1.000 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 446525901 CNBMLQRMKDYCBS-UHFFFAOYSA-N 428.489 1.741 30 10 IDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCCOc2ccc(C#N)cc2)cn1 461189304 CUTGXJRLLUTDFD-UHFFFAOYSA-N 431.499 1.963 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482555974 JVJVBGRQYSLUIU-AWEZNQCLSA-N 442.566 1.297 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(Oc3cnccn3)CC2)CC1 488763888 KQONKXZPRXIPDW-GOSISDBHSA-N 426.546 1.790 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)Nc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506575925 HZFZMDGMQBGTCW-HXUWFJFHSA-N 435.532 1.352 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 508998981 OZZMUQXSRJAVEL-FQEVSTJZSA-N 436.516 1.925 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cn1C 511439192 WKSYYBIBIWJDNP-UHFFFAOYSA-N 434.493 1.970 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 512423976 MFQKAJVUQRQSAC-UNMCSNQZSA-N 427.593 1.917 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 515313891 GSMXNJLUUODKEF-FUHWJXTLSA-N 449.581 1.305 30 10 IDEE Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1F 539487178 SIICXFKCIJIWRZ-UHFFFAOYSA-N 430.461 1.477 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H](C#N)CCc2ccccc2)CC3)CC1 557086977 GQKSKJNMURJJGO-SFTDATJTSA-N 448.571 1.722 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 558985197 QZNIJNNQVQLJIT-CQSZACIVSA-N 448.505 1.874 30 10 IDEE CCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 563703527 QGVRIDQITAAKTD-LJQANCHMSA-N 446.573 1.866 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCCCC2)C1 570828898 DEDZXELWFUYOLS-KRWDZBQOSA-N 439.582 1.727 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 572088710 ZPFXAZUMPYVCSM-UHFFFAOYSA-N 431.464 1.824 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 583800404 UIUMWDDLQKTYNK-KRWDZBQOSA-N 427.571 1.581 30 10 IDEE N#Cc1cc2c(nc1N1CCN(CCn3nc(-c4cccnc4)ccc3=O)CC1)CCOC2 585588492 ODQPHJSMHHKKSG-UHFFFAOYSA-N 443.511 1.467 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c(F)c1 586858737 FPDFWQSJMKAMQN-HXUWFJFHSA-N 444.894 1.845 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)C2)n(C)n1 618613960 KOMGUFLNXOAMFF-KRWDZBQOSA-N 438.536 1.966 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@H]2CCCO2)c1=O 671653939 BJVNCFPFGSBGAR-MRXNPFEDSA-N 426.542 1.393 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(Cc2noc(C)n2)CC1 685544106 CCUADBMSANVEJG-UHFFFAOYSA-N 442.549 1.859 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730142242 QKBNNNGBJQTQIB-BBRMVZONSA-N 437.541 1.350 30 10 IDEE C=C(COC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C(=O)OCC 734027429 UYDZKMCRQFQOJK-GOSISDBHSA-N 441.502 1.813 30 10 IDEE C[C@@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1cccc(C#N)c1 746749998 OOIRULBENBXPFW-SPLOXXLWSA-N 446.463 1.904 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)CC1 747276997 DOLPOZOHKWPVOW-ZSOIEALJSA-N 440.363 1.507 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1-c1ccc(F)cc1 760379612 VZNUYSGPGGADAJ-UHFFFAOYSA-N 428.876 1.644 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Cc3cccc(OCC#N)c3)ncnc1-2 760509627 WOCCCLOGLXKJLC-UHFFFAOYSA-N 444.293 1.172 30 10 IDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767873282 UETLPINGJILTBO-HNNXBMFYSA-N 438.534 1.687 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768048828 JNISPCPWPYKUSV-SSDOTTSWSA-N 428.314 1.389 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1Cc1ccon1 772922365 PHXJAXHXNDVDRL-UHFFFAOYSA-N 443.488 1.300 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774580034 ANYLUCXFRVHRKE-UAGQMJEPSA-N 443.529 1.262 30 10 IDEE N#C[C@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)C(=O)N1CCS(=O)(=O)CC1 780365432 MNGPEMUVSLWPGM-LLVKDONJSA-N 425.438 1.668 30 10 IDEE CN1C(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)C(=O)C12CCCCC2 786568407 GUOJJEODXSAXJC-CQSZACIVSA-N 432.427 1.887 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)c3c(Br)cccc32)n1 788364870 BELRDAFZGDBUOK-UHFFFAOYSA-N 431.290 1.914 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)n1 790109209 QMWTYFPHIOYOLU-UHFFFAOYSA-N 438.528 1.809 30 10 IDEE N#Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)ccc1N1CCC(O)CC1 799261678 NFMSWAKYIKOMDW-UHFFFAOYSA-N 433.468 1.833 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)c1 800429064 CXRWCXMEQHLIJQ-OGMYNJMZSA-N 425.510 1.765 30 10 IDEE CS(=O)(=O)c1ccccc1NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807971353 RSSXJCJNSWDOSO-UHFFFAOYSA-N 432.321 1.946 30 10 IDEE C#CCN(c1nnc(CNC(=O)OCc2ccccc2)n1CC)[C@@H]1CCS(=O)(=O)C1 812038440 OTIDCUWKIYMFMJ-QGZVFWFLSA-N 431.518 1.351 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C3CCC3)c2=O)cn1 814254539 XKBOUTQSPSZJGG-UHFFFAOYSA-N 425.558 1.803 30 10 IDEE O=C1CC[C@H](c2noc(CC/N=C3/NS(=O)(=O)c4ccccc43)n2)CN1CC1CCC1 856539351 HJQJZQHKVRTQMK-HNNXBMFYSA-N 443.529 1.857 30 10 IDEE C[C@@H]1Cc2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)ccc2N1S(C)(=O)=O 916178172 NHDJGBWJELBHDX-CYBMUJFWSA-N 433.511 1.529 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1C 916776305 YPSVPCXQFSRGEN-UHFFFAOYSA-N 435.527 1.442 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1=O 916833686 STJGBCGPEDLTDB-UHFFFAOYSA-N 442.449 1.701 30 10 IDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1135889716 UONDBXMLDTUBHG-UHFFFAOYSA-N 428.537 1.591 30 10 IDEE C=CCC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 1140930676 VBVUPEHUMALMAA-IAGOWNOFSA-N 439.490 1.762 30 10 IDEE C=CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCOCC1 1146466029 QQBNCLMMCAQWKN-BRWVUGGUSA-N 442.578 1.898 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@@H](n3nncc3I)C2)CC1 1153135588 IWSZTVDIOZHNRY-CQSZACIVSA-N 427.290 1.391 30 10 IDEE C[C@]1([C@@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)COC(=O)N1 1197891756 PAZWDXYGAZPUIZ-LLGFUMIMSA-N 431.562 1.667 30 10 IDEE C=CCSCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1234012866 PBYVWSQAKLCKKN-UHFFFAOYSA-N 433.319 1.832 30 10 IDEE Cn1cnc(CCCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 1252308174 OHESDEUHYCRAOM-UHFFFAOYSA-N 425.472 1.458 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCN2CC=CCC2)c1 1286308286 HCZIQIPKHACDRQ-UHFFFAOYSA-N 449.559 1.734 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@H](O)C1 1286400824 GXUGDEGEESFTIP-PKOBYXMFSA-N 426.542 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1286431498 OPIGRXAMWHTACJ-HXUWFJFHSA-N 426.542 1.860 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCN(C(C)C)CC1 1286440781 LGGKVPBSZRBUDD-UHFFFAOYSA-N 449.563 1.616 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1 1286461194 OQFLGQXIVKKSTB-UHFFFAOYSA-N 439.495 1.875 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1CCS(=O)(=O)CC1 1286467607 YWGXKGBIZUIWJR-UHFFFAOYSA-N 437.591 1.545 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286509580 UCBGNXJDARSAMW-SFHVURJKSA-N 432.594 1.876 30 10 IDEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286543064 GVXMANAAOPPJPN-CQSZACIVSA-N 437.342 1.066 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1286970915 YKBJSOSRDXPDQA-OAGGEKHMSA-N 440.570 1.022 30 10 IDEE CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287148338 ZJBWAWVURGTYEH-JOCHJYFZSA-N 439.520 1.456 30 10 IDEE COCCCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1292176368 MPELKQZPZLOWQX-GOSISDBHSA-N 442.578 1.689 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1293241950 GRYQZGDPKZNFDS-HXUWFJFHSA-N 435.532 1.705 30 10 IDEE CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1295154494 ZOEHSVSWLKXBES-OEAGWNGGSA-N 444.536 1.834 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H]1C 1296009884 IVMPAPMGLZBVGF-ZHALLVOQSA-N 437.548 1.926 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1O 1299413764 RDPFXSZJXINLBL-NMLBUPMWSA-N 439.516 1.992 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1300409914 KZUAGLAHIONLJC-INIZCTEOSA-N 448.980 1.969 30 10 IDEE C#CCCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1300424972 QJXSNSNXPOXTIJ-YLJYHZDGSA-N 439.582 1.109 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1300431444 GTANYWVSSANJFH-QHCPKHFHSA-N 425.533 1.885 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1300487042 DXUDWWQBKIWJLE-BJLQDIEVSA-N 441.557 1.948 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1300499790 XBEYSHUAUPTORQ-IBGZPJMESA-N 443.573 1.850 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnnn1CC1CC1 1300522526 HDVIOSFRXJVUBT-UHFFFAOYSA-N 432.488 1.480 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(=O)Nc2ccc(F)cc2)CC1 1300703838 UHTLBJOHYIXZAN-UHFFFAOYSA-N 433.491 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2n[nH]c(C)n2)CC1 1300718846 GXIQXQYYERUQMO-UHFFFAOYSA-N 448.531 1.589 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N2CCOCC2)CC1 1300728897 JCWZEKZHWQUHLT-LJQANCHMSA-N 442.608 1.697 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCO1 1300875730 QAGMDZKDCUOULV-NXOAAHMSSA-N 427.571 1.485 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C(C)(C)C 1300898692 ZNXFAKSYYGIORS-UYAOXDASSA-N 448.612 1.441 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 1301002903 ADALIPWXVAPEIZ-SJLPKXTDSA-N 444.561 1.413 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1301403334 XWWHKEPLTTVPLO-RBUKOAKNSA-N 429.521 1.882 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3nccs3)C2)nnc1[C@]1(OCC)CCOC1 1301521069 ZCRVFFOWKFEYNC-YWZLYKJASA-N 448.549 1.267 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1OC 1301586466 SZXVZLKNCDQEOW-INIZCTEOSA-N 433.534 1.475 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1 1302649587 SEWBVKTYNQVRIG-UHFFFAOYSA-N 442.497 1.133 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1303042727 LQYVQZABPLRCTC-IAGOWNOFSA-N 437.562 1.513 30 10 IDEE CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1305298475 LNNZIWCMZGEMGI-HOIFWPIMSA-N 440.552 1.710 30 10 IDEE Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCN(C(=O)CC#N)CC2)cc1 1307779098 QKOVXGHXTQFULO-UHFFFAOYSA-N 433.512 1.921 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@H]1CCOC1 1314394101 VPVPVLCFQXVQFL-IBGZPJMESA-N 441.536 1.603 30 10 IDEE N#Cc1ccccc1N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCO)CC1 1316533625 XWZYJCZSQVIGRH-LJQANCHMSA-N 437.548 1.980 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)ccc1F 1341114366 XUOIQUQQAKBARS-OAHLLOKOSA-N 430.501 1.965 30 10 IDEE CCOc1ccc(NC(=O)Cc2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 1351486159 QJMNNWYQGHLFON-UHFFFAOYSA-N 430.486 1.554 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)c1 1355669270 OJDKOHGNGLFJFF-XBYUIDQRSA-N 430.490 1.365 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)c1 1357761232 MIEUTNPCTZSPCP-RWZYYMRUSA-N 445.538 1.745 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1358929656 FINFWNRRQZDKSD-CVEARBPZSA-N 434.541 1.700 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1358930371 UGSXZSSGFQUWAN-HNNXBMFYSA-N 440.529 1.879 30 10 IDEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1358936766 XHFBVMRZDYLOHP-IRXDYDNUSA-N 446.552 1.715 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(C(N)=O)CCOCC1 1358981128 XPNCHNDFWVUGMI-UHFFFAOYSA-N 430.512 1.705 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1359025467 PLHZIIXBNSEMGC-GHTZIAJQSA-N 441.532 1.597 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNC(=O)C(C)C)CC1 1359032982 LIWOXRHLIDQSJK-UHFFFAOYSA-N 438.532 1.244 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(CC)n2)CC1 1359035833 FSUGGNGBTHDQPG-OAHLLOKOSA-N 434.591 1.003 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359048616 WUSLHPIQJYJBKL-IEBWSBKVSA-N 448.637 1.720 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1359056344 CVFDJASQPVERRK-SFHVURJKSA-N 438.561 1.547 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1359240833 YCTMNMKYULARFA-AWEZNQCLSA-N 435.941 1.741 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1436327238 XOOPEYFXXAPAMG-AEFFLSMTSA-N 449.529 1.619 30 10 IDEE O=C(N[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1)c1ccccc1 1444678661 NIJZVRRSQQEKEV-QGZVFWFLSA-N 440.525 1.536 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3nc[nH]c3C23CCOCC3)s1 1452356846 LVFHDPQIUHYDCC-UHFFFAOYSA-N 436.559 1.569 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)c1nccs1 1457333210 GMBHQJTWWPRETG-UHFFFAOYSA-N 448.570 1.758 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C[C@H]3CCCOC3)C(=O)OC)ccc2c1=O 1457973498 YBKRQRWSKVUPJO-CXAGYDPISA-N 431.514 1.959 30 10 IDEE Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)cc1S(=O)(=O)NCC#N 1469449468 GBHUJARBXSIBCE-IBGZPJMESA-N 439.501 1.041 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)nc1 1470342508 KJANZIZVPYMMAT-FQEVSTJZSA-N 437.475 1.401 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)N(CC)CC)CC1 1470355044 AQALEKFZKWIREO-OAQYLSRUSA-N 449.621 1.427 30 10 IDEE C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)C1 1472246481 FVGZLFLGXYILCN-UHFFFAOYSA-N 431.426 1.224 30 10 IDEE COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3ncc(CCO)cn3)CC2)cc1 1473075165 GTXXBSQCVXWJKV-IBGZPJMESA-N 427.530 1.521 30 10 IDEE COC1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1504464792 AULJKDTYZPGHMB-XTUQQUOLSA-N 442.561 1.926 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCC1 1504976499 VWLZJWLSMCOTTE-INIZCTEOSA-N 441.536 1.633 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1505037419 NSMPAMBWKAXUNG-PGRDOPGGSA-N 427.505 1.457 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507631973 WCGNKLHYIAFQFP-GOSISDBHSA-N 429.546 1.926 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507632981 QZTJXIXPSLUBOW-LSDHHAIUSA-N 436.563 1.007 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1507642319 IVEHORYGASCNGQ-QZTJIDSGSA-N 444.561 1.391 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507647319 ZRFCIMIDJAHNLK-UHFFFAOYSA-N 431.500 1.668 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507800832 QBZSAXHYAGCDIT-MGTHKWJCSA-N 428.493 1.077 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1507868026 DGECAPBDBKVEPU-KFWWJZLASA-N 433.962 1.367 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1507916030 JBGLBZBGNHWOBM-QGZVFWFLSA-N 445.593 1.899 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1508087890 FIBIKXWYBUPSBQ-INIZCTEOSA-N 446.581 1.351 30 10 IDEE Cc1cccc(O[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1510677671 DRFDDUNRTHKNAE-JFIYKMOQSA-N 448.549 1.393 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514285020 HYQJSVONEZMLQU-BJLQDIEVSA-N 443.596 1.901 30 10 IDEE C[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)C(=O)N1c1cnn(C)c1 1514697557 BUPTXCHXTCLFTR-NHYWBVRUSA-N 432.278 1.743 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)c1 1516761209 JQJNTRXLWANJRW-UHFFFAOYSA-N 448.541 1.602 30 10 IDEE CN(CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1F 1517290465 HOWQBPHHPXYRNH-KRWDZBQOSA-N 441.511 1.908 30 10 IDEE C#CCN(C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1528599669 BZPCJIYRRRPVAR-GUDVDZBRSA-N 434.514 1.061 30 10 IDEE Cn1c(CCC(=O)N2CC[C@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1529652089 SAGAXVIBLUBECF-OAQYLSRUSA-N 445.545 1.289 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OC 1535347817 YMUWBQGERBTWPT-IBGZPJMESA-N 436.530 1.914 30 10 IDEE COC(=O)c1cc(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538539347 FWGCFYAUINDTMS-LRDDRELGSA-N 427.276 1.246 30 10 IDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539097451 NHZROZVHTNLBFJ-KRWDZBQOSA-N 434.504 1.899 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1539415242 BTBUCTDTYFILRN-SFHVURJKSA-N 429.496 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccnc2OC)CC1 1539475676 LULPVENQGIZEIK-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1539632764 UCEGEKRZACHRCY-HLIPFELVSA-N 433.553 1.495 30 10 IDEE C=CCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540020940 NQLVUKBLLKIEIB-HXUWFJFHSA-N 441.598 1.803 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1N1CCCC1 1540869155 CZUGXRBUVWFPQB-SFHVURJKSA-N 437.548 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1540871921 XGEJNPFBZPSSTN-GOSISDBHSA-N 443.523 1.797 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540873228 RNGVUYJOIPFRPD-KRWDZBQOSA-N 444.561 1.060 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1541801183 PUZGWGKPQVFQSC-GFCCVEGCSA-N 441.355 1.995 30 10 IDEE CCCCn1nc(C)c(-c2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n[nH]2)c1C 1542978411 OXQLQRMGEBYWSJ-VZCXRCSSSA-N 425.493 1.946 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cccc(C)c1 1555671014 XHXJCUPYOMPHIJ-HKUYNNGSSA-N 442.520 1.469 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)c2cc[nH]n2)CCO1 1555992890 DFQJWNLVAHIHFJ-CYBMUJFWSA-N 444.858 1.619 30 10 IDEE COC[C@]1(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CN(C(=O)OC(C)(C)C)CCO1 1556824415 GAXBHZONYVJGJA-VGSWGCGISA-N 446.504 1.585 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)[C@@]4(C#N)CCCOC4)C3)[C@@H]2C1 1558066327 QHGOAGDIZRQUAX-KGWSRGFLSA-N 434.493 1.348 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1C#N 1558906797 SCUVRSIZYUKDFT-VQIMIIECSA-N 440.504 1.798 30 10 IDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C1CSC1 1559985829 BUXZBVXCBBELLM-HOTGVXAUSA-N 437.587 1.474 30 10 IDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)c1C#N 1561476006 CUUKDGJSXMLQLY-UHFFFAOYSA-N 449.334 1.745 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN/C(O)=C1\N=CC=CC1=O 1587549987 HEOMXBPPDFGLQJ-UFOSLELVSA-N 427.509 1.181 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1587561739 HVWJTKUGICNAGB-OLZOCXBDSA-N 426.930 1.474 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1588058775 CBXSNTFJWIFJAR-SFHVURJKSA-N 448.593 1.385 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1588170654 LMMBYHVYNYHMHI-UYAOXDASSA-N 427.549 1.518 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)OCC)CC1 1588890948 JEYQSCZVEBWRJL-HSZRJFAPSA-N 447.580 1.711 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)NCC(F)(F)F)CC1 1588929487 BCYZIQUCUGTMQH-UHFFFAOYSA-N 440.470 1.580 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1595543883 AWNCIJKGWXFVAZ-OAHLLOKOSA-N 447.486 1.850 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1595593734 HYRSYQZOLTYDMR-OAHLLOKOSA-N 429.477 1.167 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595658976 OWWLTAOHALFHIS-PKOBYXMFSA-N 427.505 1.346 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2ccccc2[C@@H]1CO 1597388306 ZEAQFAFKYOURTJ-KRWDZBQOSA-N 429.498 1.460 30 10 IDEE CCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1614022798 JTLQDLUDVJDXNJ-WPCFGXOUSA-N 441.458 1.440 30 10 IDEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1619847188 LJAPGIYPLPKUHG-FQEVSTJZSA-N 437.548 1.850 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)N1CCOCC1 1620098349 WSVIFDUFKZOTBZ-HOJAQTOUSA-N 432.569 1.853 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCc1ccc(C(=O)NO)cc1 1626239550 SICXAZKQLXFNGD-INIZCTEOSA-N 434.493 1.328 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)cc1 1627546341 MYUOYCDMVSVUFN-HNNXBMFYSA-N 432.424 1.750 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C 1633903825 HQFNLAVVALGFAU-SJLPKXTDSA-N 434.562 1.327 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 1635668376 GAGAERGICAMBSY-JKSUJKDBSA-N 425.510 1.694 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1637888164 QBQHJPQUUAMNOD-XYJFISCASA-N 428.489 1.255 30 10 IDEE C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1641052417 AOJAKOBYULQEPR-MEDUHNTESA-N 433.262 1.572 30 10 IDEE CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1641400500 LXXKUYKCPXJTIT-DLBZAZTESA-N 442.472 1.332 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)nn1 1647845044 ZFEXBTUGNUREKI-UHFFFAOYSA-N 437.548 1.550 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)COc1ccccc1C#N 1652619928 GZHGCDOZYJHECJ-ZWKOTPCHSA-N 433.505 1.782 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1654001559 IFQDFQJSVJARFL-SFHVURJKSA-N 449.573 1.272 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1654840924 NWVRPYIBQUDJRR-SFHVURJKSA-N 447.557 1.026 30 10 IDEE CS(=O)(=O)N1CCc2c(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cccc21 1660560194 BBWDPSDINIBQBH-OAHLLOKOSA-N 427.486 1.961 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccc(Cl)cc1F 1674036666 SCXWLVVXGXTUIO-HNNXBMFYSA-N 425.873 1.593 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 1682021868 OIPAGLGIBRUENW-GOSISDBHSA-N 449.471 1.494 30 10 IDEE COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NCC(=O)NCC#N)cc1 1686403306 TYRQNMXVJXJNLN-KRWDZBQOSA-N 431.493 1.638 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCSCCCO 1689847460 ZZKXDWOZLGBHSZ-HNNXBMFYSA-N 436.607 1.812 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1689874797 BNUJOSNLFTUDTB-IRXDYDNUSA-N 433.582 1.494 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(-n2cncn2)c1 1689974023 YZWFSLBJQFBHEA-UHFFFAOYSA-N 432.513 1.968 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1690022887 WYOOLXIUMGAPSM-UHFFFAOYSA-N 447.568 1.987 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1690124580 OLNLUWKPSNIEIM-GOSISDBHSA-N 441.532 1.611 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cn(CCCC)nc2C)CC1 1690131068 TVDSXHHMNIIZKS-UHFFFAOYSA-N 438.580 1.509 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCC2)CC1 1690150327 CYQKLYYWDDBNAQ-UHFFFAOYSA-N 428.562 1.515 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690243022 GKBKPLWLXSCDJR-KONPQCLYSA-N 434.566 1.974 30 10 IDEE C=CCNC(=O)Cn1c(N2CCSCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690678164 NGKGGOZGIVNIEU-GASCZTMLSA-N 436.582 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1690722242 BQWNRXOYDNPYJZ-UHFFFAOYSA-N 432.550 1.246 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690742022 DLYPWCWGTLUKPY-QGZVFWFLSA-N 438.561 1.742 30 10 IDEE CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1692428240 URKUYWQUNOYVDR-WMLDXEAASA-N 425.493 1.435 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccccc1 1692779030 AWHIZMYTHUXXPM-KYNGSXCRSA-N 436.513 1.238 30 10 IDEE CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1693736717 CHENLTNYGPDXFM-QZTJIDSGSA-N 436.582 1.031 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694038730 RDNNKHKADQQLDD-DNCYLBRYSA-N 429.525 1.280 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1705583267 UCRCAIYQMFJBQY-SFHVURJKSA-N 442.541 1.513 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCS(=O)(=O)C1 1705588578 BSSWKOXQWVJEIQ-KRWDZBQOSA-N 433.578 1.484 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1705638338 HGLCFIVKISJFEM-AQNXPRMDSA-N 441.624 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC)CC1 1705646422 FHQXYZYVBZRBGR-UHFFFAOYSA-N 429.546 1.724 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1705704600 WZXREBXTXOVFAP-MJGOQNOKSA-N 427.553 1.964 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCC2)C1 1705819906 WXIIOOAWPWYAHN-MRXNPFEDSA-N 425.555 1.337 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1705906307 ZRRLHFMQRMLOPA-UHFFFAOYSA-N 437.548 1.294 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705907719 VEJAOSBCBFYCFM-FQEVSTJZSA-N 435.532 1.677 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(C)(C)O 1706859742 GSEOPDNOLXEEGU-AWEZNQCLSA-N 432.550 1.700 30 10 IDEE Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1707783458 AUMYWJDOBCBSHW-LJQANCHMSA-N 439.568 1.578 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1711085623 NEDXKNRSDYETAR-ROUUACIJSA-N 437.504 1.668 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722368079 ZBJZPDNBJGVRSN-AEFFLSMTSA-N 432.546 1.539 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1cnnn1 1722422625 RJMNOBVYZIUHQB-UHFFFAOYSA-N 431.504 1.965 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1722427446 VFZTZDGMFCQWSI-SFHVURJKSA-N 439.582 1.277 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1722477230 DAXODEOCNMHTIZ-MBNYWOFBSA-N 448.387 1.801 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722517331 JROBJUNISNCFBV-MRXNPFEDSA-N 433.582 1.949 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1722665770 BRYOXJCYPACDHA-UHFFFAOYSA-N 430.534 1.929 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(CC)noc2C)C1 1722719274 SEVIFNUQLVSCTO-HOTGVXAUSA-N 435.550 1.869 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@H](OC)[C@H](OC)C1 1722726019 XBMPILMJANWVAX-HDICACEKSA-N 436.534 1.405 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(COC)CC1 1722726145 WZWDRZQOZXQHHQ-UHFFFAOYSA-N 439.582 1.368 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCC1CCOCC1 1722728061 SYHVWSIMYGNRBP-INIZCTEOSA-N 425.555 1.083 30 10 IDEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1722854652 QGFWNWPOACAZNV-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729918833 WQQRALMXUYEHLS-AQMPTVPWSA-N 439.520 1.815 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740553461 SQMGBQDJFQCIRR-BZSNNMDCSA-N 441.557 1.691 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740622537 ZFHZWKNGOIZSHA-IIBYNOLFSA-N 441.513 1.468 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCOc1ccc(Cl)cn1 1740658575 NWSGLPKMIDVCEA-UHFFFAOYSA-N 426.908 1.991 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1nccc(C(F)(F)F)n1 1740683598 LEVCSUKEOJNPIK-UHFFFAOYSA-N 434.426 1.816 30 10 IDEE C=C(C)COCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740799879 ZDKUGVFELOAIFL-LJQANCHMSA-N 428.555 1.146 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740879683 PUGUGZBSKATQHR-QGZVFWFLSA-N 440.552 1.764 30 10 IDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1740953225 YWKUAELQMVYZGH-UHFFFAOYSA-N 425.537 1.212 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740958666 SMYRITXKLQQRPZ-OAHLLOKOSA-N 447.540 1.025 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1741001964 FDVGTBXNGMZARO-JKSUJKDBSA-N 437.595 1.532 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1745780086 HRIWBKVEGLLKHQ-HXUWFJFHSA-N 448.524 1.707 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCOCCS(C)(=O)=O 1747704171 DQRSLZOTMOXFNV-UHFFFAOYSA-N 443.533 1.248 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748638010 HTZKBZQEOBUAEM-IRXDYDNUSA-N 425.537 1.543 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748812660 YUQYUBMRZZCILP-SJLPKXTDSA-N 442.545 1.796 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC2CCOCC2)c1 1748906314 AQTHNYOEROKJEJ-UHFFFAOYSA-N 426.521 1.877 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C(C)(C)C)no2)CC1 1748989459 MCTJLNBUMOTDPZ-INIZCTEOSA-N 446.577 1.269 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749456709 KNJYZTBGGLGDNY-QZTJIDSGSA-N 446.552 1.531 30 10 IDEE COCCOc1cc(C)ccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1750032141 IZLUOHZVLMSVJV-LJQANCHMSA-N 437.504 1.789 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCCO3)n2CCOCCCO)CC1 1750384693 KJKKTWUXPRQURM-HXUWFJFHSA-N 426.521 1.727 30 10 IDEE CC(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750792873 BGWBDTDLWKYNCM-CYBMUJFWSA-N 433.538 1.469 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1751278538 ICCIWUYBIHHSIE-UONOGXRCSA-N 429.493 1.734 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1760210060 MCVHHRKZAUOSRC-UHFFFAOYSA-N 437.891 1.736 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCCC2)CC1 1760251878 KOVVPCHGMZHBPZ-UHFFFAOYSA-N 436.564 1.555 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC1 1760264494 QGGKIGPEIYKDEP-GHTZIAJQSA-N 443.523 1.803 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1767689869 DFFPOSSLVGRPDK-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)no1 1768237876 GWANDQPAIRLKJK-UHFFFAOYSA-N 444.517 1.944 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1769138382 ZGIUWSHZRKWORF-UHFFFAOYSA-N 444.561 1.227 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)C1 1770728348 OOKZTPWUNSFLSG-KRWDZBQOSA-N 439.904 1.471 30 10 IDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N2CC3(COC3)C2)cc1 1851579219 FDNPXOALNJMESA-LJQANCHMSA-N 445.928 1.960 30 10 IDEE CN(C)C(=O)COc1ccccc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851772402 PYSWUOKGRAHOLA-UHFFFAOYSA-N 437.500 1.399 30 10 IDEE COC(=O)N1CCC[C@@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852147337 LEFSUIGFZKGMHP-QUCCMNQESA-N 431.489 1.659 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)n1 1852485866 SVKNGIXGMLBTLA-ZDUSSCGKSA-N 428.855 1.842 30 10 IDEE C=CCC1(S(=O)(=O)N(Cc2cnn(C)c2C)[C@@H]2CCCN(c3ncc[nH]c3=O)C2)CC1 1853486015 WBJGIABLUBRGAY-GOSISDBHSA-N 446.577 1.721 30 10 IDEE O=C([C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCC2(CC1)OCCO2 1869929837 OFFLKASBLRIVGD-IBGZPJMESA-N 441.509 1.832 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(/C=C/C(=O)O)cc3)cc2C1=O 1870153947 KRRQKMJJZJWNGL-RUDMXATFSA-N 442.391 1.715 30 10 IDEE C=CCn1cc(OCc2cc(=O)oc3ccc(C)cc23)c(=O)cc1CN(CCO)CCO 1870766861 JVLNTBKGLSXVRQ-UHFFFAOYSA-N 440.496 1.815 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(C(=O)O)cc1 1874338402 VJALAKPZDBERFH-PZEXIZOFSA-N 445.501 1.848 30 10 IDEE CCn1nnc(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1881502053 VCJGKUMWAMYDNP-VXGBXAGGSA-N 428.335 1.505 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cccc(OC)c3OC)CC2)CC1 1890308277 OKPKCAMYIGXNCE-UHFFFAOYSA-N 443.588 1.895 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCN(c4cccc(C#N)c4)CC3)cc2)CC1 1892322808 SBBPZLZTLMTDLM-UHFFFAOYSA-N 445.523 1.825 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]21 2006263281 OVBPNPVDMSJFLX-UMSGYPCISA-N 425.345 1.885 30 10 IDEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(Br)c1=O 2172903829 KBVDKNLEVWZAAN-TZMCWYRMSA-N 441.326 1.669 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2224125201 ORVABPVWMUOLMA-QFIPXVFZSA-N 433.358 1.977 30 10 IDEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2243411888 CCVWSMQUOGFBNL-UHFFFAOYSA-N 444.384 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255606941 YIGVYBSQZRWVLA-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2255647557 ADVPDCAPXCMPMW-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)n1 2255842854 YFKCFGAJJAHQRE-UHFFFAOYSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255843076 BEFJAHWXZQGDJD-ASSNKEHSSA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255851934 XMDJHLXSMXHTJQ-NRFANRHFSA-N 436.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)(C(=O)O)C1 2255853025 LCBIXJOCAIBMCC-UHFFFAOYSA-N 435.286 1.118 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2267273067 HOOZSAIGJGXFQG-MGPQQGTHSA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267278814 GADIRPZYHMWOBA-SQWLQELKSA-N 444.341 1.761 30 10 IDEE Cn1ncc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1B1OC(C)(C)C(C)(C)O1 2267513739 QNTLAZDXOMTMGL-GOSISDBHSA-N 435.337 1.569 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2267537792 RVNAMHCTAVEYEP-MJBXVCDLSA-N 447.345 1.242 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2267599686 TZRIMHXYTAZGBR-JOCHJYFZSA-N 449.357 1.426 30 10 IDEE C[C@H](C#CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2302416083 WZRALFNKOMBVEL-CYBMUJFWSA-N 435.355 1.975 30 10 IDEE C=CCn1c(=O)/c(=C/c2ccc(OC(F)F)cc2)s/c1=C(/C#N)C(=O)NCCCOC 9540205 NRGXOFGVNNBUHV-XXNLHLTISA-N 449.479 1.353 30 10 IDEE Cc1c(/C=C2\SC(=S)N(C(C)C)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 33385998 ADPNIGPGORUTJE-YBEGLDIGSA-N 431.587 1.927 30 10 IDEE C#CCn1c(=NC(=O)c2cc(=O)c3ccccc3o2)sc2cc(S(N)(=O)=O)ccc21 254555672 DSGLWHQVNWJZBV-UHFFFAOYSA-N 439.474 1.831 30 10 IDEE COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@H](C)n3cnc(C#N)n3)c2)cc1 409702667 QTPWVWQOYGQXCL-CQSZACIVSA-N 440.485 1.837 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N[C@H](C)c1ccc(F)cc1 429895058 HHFKEDDMPJMKHE-CYBMUJFWSA-N 430.465 1.711 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccccc2I)CC1 433863726 GZZYXRDDWGAKJY-UHFFFAOYSA-N 427.286 1.280 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n(C)n1 470224083 QLHKIMJMRBSMBI-RDJZCZTQSA-N 430.534 1.052 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 478521021 JUVYOUJIFTZYFP-LJQANCHMSA-N 439.564 1.977 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 482074858 ZBEMHFWHFAMFOQ-HNNXBMFYSA-N 439.497 1.407 30 10 IDEE N#CC1(CS(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCC1 498887670 CWSVINOCYCOANW-UHFFFAOYSA-N 429.539 1.936 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H](C#N)C3CC3)CC2)c1 505981109 IJPIRJZBTBAEPS-GOSISDBHSA-N 432.546 1.335 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 509138295 NCAFEABQIWKCKI-CYBMUJFWSA-N 425.454 1.622 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 510307664 NGOBNAKRSNXKPR-GOSISDBHSA-N 440.529 1.248 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@H]1CCCO1 516679004 JGHIEEQFSUOHRY-QGZVFWFLSA-N 443.544 1.956 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cn3ccc(C)cc3n2)cc1 518206316 DMBGYBRUUFHVRM-UHFFFAOYSA-N 441.513 1.704 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)CC1 542549239 DJFHYYXQFDZJNT-OAQYLSRUSA-N 438.463 1.896 30 10 IDEE C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 544885601 FKCIIHRYFLKLOM-INIZCTEOSA-N 442.545 1.796 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)CC2)n1 546212663 CIRDYCQQJLAMRU-UHFFFAOYSA-N 434.909 1.015 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](c3ccnc(N)n3)C2)CC1 548931247 RIGMMHUDTABKQO-SJLPKXTDSA-N 425.562 1.709 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2Cc2ccccc2)cc1 555183177 FIGSMJJMMGJXBX-LJQANCHMSA-N 429.484 1.991 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1 589326778 FTCTYVIHGNKNCU-IBGZPJMESA-N 447.520 1.967 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1 589326779 FTCTYVIHGNKNCU-LJQANCHMSA-N 447.520 1.967 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669804363 XNIGYBIVPYRMQP-XLIONFOSSA-N 445.612 1.761 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)c(C)c1 729673431 PFXMYOFIEGOTLP-UHFFFAOYSA-N 444.578 1.444 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732696362 FZTIZRLNRIMSIA-FCEWJHQRSA-N 447.561 1.689 30 10 IDEE CSC[C@@H](C(=O)NS(=O)(=O)c1cc(C#N)ccc1C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 734292469 QAQJJZUSKXIILS-XHSDSOJGSA-N 449.554 1.578 30 10 IDEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(C#N)cc1 740177214 BHZSUJCOAKBDIF-FQEVSTJZSA-N 444.465 1.887 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@H](O)c3ccco3)C2=O)cc1 753737090 DKALAFWYQJDZFR-UFYCRDLUSA-N 438.484 1.786 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771448205 UAIOSGONOZPFFL-NYHFZMIOSA-N 444.488 1.322 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 775811873 NAZUYBRCRPIGOB-CUWPLCDZSA-N 445.539 1.991 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1 775976450 FKQUERUGMQAYHM-OTWHNJEPSA-N 444.557 1.874 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CCc3ccc4c(c3)CCO4)cc2C1=O 778883331 RYTLGGOAVHVFLH-UHFFFAOYSA-N 440.477 1.706 30 10 IDEE CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780177645 UXNNKYDIXWAGBK-JOCHJYFZSA-N 437.537 1.897 30 10 IDEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 781650018 UWTCVIIAAVIBNJ-HNNXBMFYSA-N 446.326 1.887 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)n1 788652746 WEMBMKZRJNAIOS-UHFFFAOYSA-N 439.516 1.978 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 796725996 CBPVGDDDAUBZBJ-IBGZPJMESA-N 447.538 1.666 30 10 IDEE Cc1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1135597053 NDWGCSXXTRZKOX-UHFFFAOYSA-N 429.370 1.577 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1136096518 MSTJLORSQPKZKW-MRXNPFEDSA-N 427.509 1.319 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)C(=O)OC 1139176360 XKRRCOVNYALVAB-GJZGRUSLSA-N 426.416 1.753 30 10 IDEE C[C@H](CC(=O)N1CCCC[C@@H]1CCn1ccnn1)/N=C1/NS(=O)(=O)c2ccccc21 1159291553 QQJZXMZJJLXUFU-HZPDHXFCSA-N 430.534 1.567 30 10 IDEE N#CCN1CCC[C@@H](CNC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 1160873585 SDLDNTAYSSSBNR-HNNXBMFYSA-N 446.349 1.872 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@H]2CNS(C)(=O)=O)n(-c2ccccc2)c1C 1175078563 CAFXMWAGUAFDGR-GOSISDBHSA-N 445.545 1.154 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 1175933575 RHFJWWPMOWXQRB-OAQYLSRUSA-N 448.608 1.550 30 10 IDEE N#C[C@@]12CN(C(=O)c3c[nH]c4ccc(Br)cc4c3=O)C[C@H]1CS(=O)(=O)C2 1178757182 LFXICJFXMRFGGK-BTDLBPIBSA-N 436.287 1.301 30 10 IDEE C#C[C@@H](CO)NC(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1197861637 SVNCAOGJDIZUSD-KRWDZBQOSA-N 433.468 1.852 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1212416025 VSGZRSLGEWHIFI-UHFFFAOYSA-N 441.449 1.946 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(C)cc3C)CCCC2)CC1 1251506614 UTZUFFSJNPJLTK-UHFFFAOYSA-N 432.590 1.910 30 10 IDEE COc1ccc(CC(=O)N(C)c2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 1278050273 DJUWWZLADDKTFW-UHFFFAOYSA-N 430.486 1.188 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 1286324004 NHTNRKOWCMUBBL-QZTJIDSGSA-N 439.582 1.277 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1286356230 MIJSIPLVSXWUIK-CQSZACIVSA-N 426.443 1.319 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1286374865 QIIJGEQOFQYQCQ-UHFFFAOYSA-N 443.577 1.489 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1286396192 VVLRSCJIGWDGBE-MRXNPFEDSA-N 435.525 1.716 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1286446511 GYMKDVDZLNNDHT-HRAATJIYSA-N 435.525 1.197 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1286447542 LEUSAGAFUBHXCP-SFHVURJKSA-N 425.489 1.532 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1286484952 RLJLNEHLLKPDCB-ROUUACIJSA-N 442.589 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCOC2)CC1 1286487928 RXEPWMSQUBDPSQ-HSZRJFAPSA-N 439.516 1.071 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286504404 MMJNUFTVBPQEQF-SJORKVTESA-N 429.550 1.390 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(C)(=O)=O)C1 1286802906 FCIKDDCEKREHRF-INIZCTEOSA-N 436.534 1.788 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(C)(=O)=O)C1 1286802910 FCIKDDCEKREHRF-MRXNPFEDSA-N 436.534 1.788 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1288407624 HUWRPSQXDATSDE-MOPGFXCFSA-N 440.500 1.855 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2c(F)cccc2F)s1 1293514016 XFGCHUHPIIZMIP-UHFFFAOYSA-N 443.497 1.579 30 10 IDEE CCO[C@@]1(c2nnc(N3CCCN(C(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296638369 JNNLDFZVPHSVEU-NRFANRHFSA-N 428.493 1.502 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 1299891682 WNXYVIOEUKHMPC-FQEVSTJZSA-N 426.535 1.053 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1300352455 LCNASHBSARMZDD-UHFFFAOYSA-N 439.516 1.815 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1300365191 QZTFYJOLHKVGAM-HZPDHXFCSA-N 430.596 1.243 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300478801 BUNBYQICXHAKNS-HNNXBMFYSA-N 428.518 1.352 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300491223 FFIKSWLMKUSFPG-SJLPKXTDSA-N 449.577 1.205 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)N(C)C)CC1 1300685829 SUUXMOGPVLNYBX-OAHLLOKOSA-N 434.386 1.751 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@H](C)C1 1300980435 IKSKUHKHJXDWMV-MRXNPFEDSA-N 427.505 1.976 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1301297768 VKNKJSLGSBIQGG-GOSISDBHSA-N 431.562 1.991 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1301410369 CXWUQYQSDCXWLZ-MRXNPFEDSA-N 449.577 1.781 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccccc2)CC1 1301496767 GPNVRLRBCDCGPD-UHFFFAOYSA-N 434.548 1.693 30 10 IDEE CC(=O)N1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301699992 GZJMRWKYFOOLNT-XUTLUUPISA-N 441.536 1.521 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1302222953 DYERLLQMVHULBS-UHFFFAOYSA-N 435.488 1.136 30 10 IDEE COCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302224044 YSQNRTYMXXAAKX-KRWDZBQOSA-N 431.928 1.833 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1303488444 AOMCGZSILZEGOY-PXNSSMCTSA-N 437.566 1.493 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1cnn2ccccc12 1303818985 FDIUSTQFHFKOTA-HNNXBMFYSA-N 442.549 1.714 30 10 IDEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CCO1 1304933640 COCHKZJAHQVIGC-WBVHZDCISA-N 432.550 1.617 30 10 IDEE C[C@]1([C@H]2CCCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)COC(=O)N1 1312485323 JTEUKJNCVDLEEW-AQOAWAETSA-N 425.489 1.974 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CCOCC1 1313044028 ZEVKRDDOXOPJQG-GOSISDBHSA-N 425.938 1.784 30 10 IDEE N#C[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CCN1Cc1ccccc1 1313105830 JNMJXESOQLLCOY-PKTZIBPZSA-N 434.544 1.702 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1314993660 SALWOPOBGAPWNG-XZOUCZQKSA-N 427.509 1.034 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1315904780 GZXUNSPFUDFGFZ-HXUWFJFHSA-N 437.548 1.454 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1358910431 OSVJFROOCXGITK-UHFFFAOYSA-N 440.596 1.863 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358958527 QGURHKHBMALSNK-GJZGRUSLSA-N 440.472 1.897 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358965188 POXNDFPCGMGZKH-MOPGFXCFSA-N 445.589 1.952 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1358994189 HDRGPUKBQVEGCO-UXHICEINSA-N 431.606 1.908 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1359009913 BMPYKXLNLQLKDU-IBGZPJMESA-N 431.562 1.622 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359035697 BQNWLVLIKOWYMV-KRWDZBQOSA-N 439.507 1.368 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(C)=O)CC1 1359301856 NNBXXPZCEQJVHJ-UHFFFAOYSA-N 432.475 1.554 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359304665 FPAUSUDCFFCDKX-UHFFFAOYSA-N 430.484 1.105 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359337439 SGXAMIRACRNZSQ-MPGHIAIKSA-N 445.611 1.192 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)C(C)C 1360215579 QJPOCUJIODBGOJ-UHFFFAOYSA-N 426.525 1.291 30 10 IDEE CC1(C)CCO[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1360819449 WZLVSFXLKWYCQS-GOEBONIOSA-N 430.534 1.813 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)nnc1-c1ccco1 1452142131 BIMICXWUGWIXII-HNNXBMFYSA-N 432.550 1.785 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1sccc1Br 1462469214 MNQBSKPYOHNPBG-UHFFFAOYSA-N 428.333 1.908 30 10 IDEE CNC(=O)CNC(=O)c1cccc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1466342508 CKXXDBNDOAIHBP-UHFFFAOYSA-N 448.527 1.820 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC(C)C 1471252463 YGWXLNDEBARNNY-UHFFFAOYSA-N 427.461 1.559 30 10 IDEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1475892545 STKFDINBGPCKMO-DOTOQJQBSA-N 435.502 1.126 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)nc1 1479550100 BOYYTOOUOHSIOH-UHFFFAOYSA-N 428.518 1.065 30 10 IDEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)OC 1500108647 IEKIDQKDXQXMEE-SFHVURJKSA-N 432.550 1.713 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC[C@@H]1C 1504520996 SSVOOLWEFVPVEB-YOEHRIQHSA-N 448.474 1.971 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507630990 KLJFJHDGGSLFKB-SFHVURJKSA-N 428.493 1.493 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507632139 XLYIUBFRKNEPRH-QGZVFWFLSA-N 432.550 1.265 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1507632967 QYQBYYGNYHPNPT-CVEARBPZSA-N 447.586 1.469 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1507689716 MHEJYPFTAZLIDA-QGZVFWFLSA-N 430.530 1.654 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(=O)NC)c2)CC1 1507718548 FCZLSGSUUFMXDV-GOSISDBHSA-N 440.548 1.165 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507936323 BKFSPSDWWCWUNQ-LJQANCHMSA-N 443.596 1.613 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1508085601 VUAGULXEZYHJLP-GOSISDBHSA-N 430.578 1.391 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cncn2)C1 1508132442 UMURKHHWXSTZIZ-HNNXBMFYSA-N 428.522 1.343 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1cccc(O)c1 1508142485 DAPIOEVHTNTPDV-MRXNPFEDSA-N 447.561 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1508143136 DYBBEWXBPNFMQH-OAHLLOKOSA-N 435.525 1.276 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1508143262 XTBDQLDIRPAQAI-QKLQHJQFSA-N 440.566 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1508143494 ZPONNHZXLGXKMO-KRWDZBQOSA-N 439.582 1.078 30 10 IDEE C=CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1508152043 RAKLPTWFHSYWCI-MRXNPFEDSA-N 446.964 1.665 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCCS(C)(=O)=O 1513922694 CPTXWUGCZBFAPI-MRXNPFEDSA-N 446.581 1.432 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCC(=O)N2)cc1 1521101410 BPJHWZMMEMAZBO-IAGOWNOFSA-N 437.504 1.099 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1539015654 VPPBZQSRRGYQDL-SBUREZEXSA-N 446.596 1.917 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539221585 QFSVVMKNAXVHKQ-HZPDHXFCSA-N 429.502 1.312 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCCN(C)C 1539284241 JHUNNEYFKPYWJN-UHFFFAOYSA-N 448.571 1.966 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@](C)(CC)O1 1540071759 HSXMNRNBZPOGNY-JTDSTZFVSA-N 427.571 1.581 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540866048 BAINHDIGMKKPRD-MLGOLLRUSA-N 432.887 1.755 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1540870969 AUJMAGHDGIWSTP-UHFFFAOYSA-N 426.587 1.029 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC1COC(C)(C)OC1 1540903098 YJRQFLOADOFUSP-KRWDZBQOSA-N 442.582 1.608 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541177533 HWLXSSRFLZUVHI-HNENSFHCSA-N 425.493 1.944 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C 1541803510 IWXJMNWHBQDLJR-KFWWJZLASA-N 440.570 1.832 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1541806212 GWRXOWBUQCTAEG-MRXNPFEDSA-N 439.520 1.665 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC1CC1 1545545963 HUSVESDQEZQPOQ-JKSUJKDBSA-N 437.552 1.695 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1CCCNS(C)(=O)=O 1554150715 UFSGZACQOBMFNQ-SFHVURJKSA-N 432.550 1.967 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)s1 1556883015 HYYFSGRBFGAPEA-BHYGNILZSA-N 425.576 1.518 30 10 IDEE COc1cc(Br)cc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1565325720 KFZJVWLVRVHWAG-UHFFFAOYSA-N 434.250 1.358 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCCOC)c2ccc(Br)cn2)C1=O 1584488621 UXDCDUZGZRJVLE-UHFFFAOYSA-N 439.266 1.190 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1587562066 KUMOEIQFHKXHBO-IAGOWNOFSA-N 445.593 1.698 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1587620266 BWACHQWOTOVNKQ-IRXDYDNUSA-N 436.516 1.846 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1587869142 KPFSAYVMFMZRMC-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)CC1 1588811504 KWOCASKCCARIPQ-IBGZPJMESA-N 449.621 1.532 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1589530376 VDPCUJYONLMJQZ-NSHGMRRFSA-N 429.569 1.817 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NC)CC1 1589577561 CQWMYETVTMTZAI-WCIQWLHISA-N 447.580 1.946 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1593884135 CNWDUAQUBQRTNA-LBPRGKRZSA-N 425.889 1.599 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1595094767 YKUNWUXSWHBYEQ-CVDCTZTESA-N 435.532 1.360 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1595506484 BGYXLENAFVPZOV-QGZVFWFLSA-N 447.971 1.843 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OC)C1 1595530101 SQJWNBIVBZTVFG-OAHLLOKOSA-N 447.565 1.156 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595555545 BVVSIKLREAOWIV-HTAPYJJXSA-N 426.521 1.340 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1595714654 PEGKGWIGMXXXCO-AEFFLSMTSA-N 445.545 1.462 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595812415 SJJFZJPWGJQNKT-XEWABKELSA-N 431.562 1.462 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(C)CN(C)C1=O 1603683185 ODPMLQNHWFOVNO-AOMKIAJQSA-N 437.552 1.332 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1614974526 GAOYOWIXRXWOHE-QGZVFWFLSA-N 425.537 1.500 30 10 IDEE COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1619919337 SJYOSBDJEHCEOL-ROUUACIJSA-N 431.518 1.276 30 10 IDEE C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1620214820 MJRBXHGXKUFGAP-QGZVFWFLSA-N 437.562 1.943 30 10 IDEE CCc1ccc(NC(=O)c2nnc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)s2)cc1 1620635651 UMJFMQAGNHXATQ-IFXJQAMLSA-N 431.543 1.723 30 10 IDEE CN(C)S(=O)(=O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1625545750 PNNGPXXAKNJEST-QGZVFWFLSA-N 436.534 1.400 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3ccccc3N)CC2)c(F)c1 1627047646 ITTVNZNMOCFBAL-UHFFFAOYSA-N 432.477 1.628 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)c1 1627102022 YKVNRQMCOZUOCG-SFHVURJKSA-N 433.530 1.825 30 10 IDEE Cn1cc([C@@H](O)CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1631221193 SLYRQZAAXRMYOL-RBUKOAKNSA-N 425.489 1.976 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 1631224755 MFWNIWGMCAQJPW-INIZCTEOSA-N 441.550 1.451 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3[C@@H](CNC(=O)OC(C)(C)C)C3(F)F)CC2)c1C#N 1633055964 NLILXRSDKIZWPN-HUUCEWRRSA-N 438.479 1.655 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@H]2CC[C@H]1CC(c1cnn(C)c1)C2 1633095655 XJEOEOVYYMQDRQ-JVPBZIDWSA-N 427.530 1.896 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2Cc3ccc(C#N)cc3C2)cc1C 1643728594 JFJMXOPKXSMSCI-HXUWFJFHSA-N 440.525 1.630 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1643888685 OJAPTDSBTIFHEM-UZLBHIALSA-N 437.525 1.834 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1Br 1663328536 CKAACTWTQUXDHV-QWHCGFSZSA-N 437.312 1.800 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1679898942 QEHQKLITXXBCJF-SFHVURJKSA-N 431.489 1.796 30 10 IDEE CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1680882470 NQPGGELZXWWNLW-KRWDZBQOSA-N 430.534 1.899 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1689966184 MNATZEMTIVWBLG-INIZCTEOSA-N 439.488 1.472 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1689966307 OWWHGNJLNSYHLV-KBPBESRZSA-N 429.493 1.116 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1C(C)(C)C 1690677339 UYSSZCMTDDHLSI-AWEZNQCLSA-N 434.566 1.723 30 10 IDEE Cc1nnc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)s1 1693450590 LWNDZEJOJIYWTG-UHFFFAOYSA-N 438.517 1.458 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1695429532 BIUZZUZBPZKSPF-RTBURBONSA-N 435.532 1.980 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1698169241 GHJGAAASYONYKK-SJORKVTESA-N 434.541 1.379 30 10 IDEE COCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1698223188 AWNUNCFVGRZLDT-FQEVSTJZSA-N 437.504 1.791 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705502722 ZEZHTJOTIUFRRR-HNNXBMFYSA-N 436.509 1.394 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCc2n[nH]c(C)n2)c1 1705505863 VGMFUXCBPLELMI-UHFFFAOYSA-N 429.488 1.999 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570128 MWMFYMMYZKUBEO-MRXNPFEDSA-N 437.566 1.382 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1705590770 VXKQGKSHAHUGMN-QFIPXVFZSA-N 427.505 1.964 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1705631910 SFIWSJWWLBJNIK-NRFANRHFSA-N 435.576 1.572 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)O)CC1 1705643784 SGRAKPJXIUUSMV-KRWDZBQOSA-N 432.569 1.876 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1705661515 DARKOSUMQFXELK-KRWDZBQOSA-N 441.623 1.604 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705738241 QKIAOEPWIVUXCP-IBGZPJMESA-N 430.597 1.956 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1705843461 FVDYCMDUYVJDJM-INIZCTEOSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(C)c2C)CC1 1705900510 GLEMVUGIFIJAFK-UHFFFAOYSA-N 434.548 1.924 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705907767 WXGYCYYSBQLZRL-UHFFFAOYSA-N 442.568 1.717 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1706747500 NJLHSYPWHYRPCN-GOEBONIOSA-N 438.579 1.654 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)CC1 1710888884 HEYWKFIRLIUNQG-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722305892 DYTMDEQIJPLKDV-SFHVURJKSA-N 428.537 1.145 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(O)CCOCC2)c1 1722310356 UZQKXCMFQAXRLH-UHFFFAOYSA-N 449.515 1.276 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1 1722393695 HSXBPNKKKFPXRN-UHFFFAOYSA-N 436.545 1.483 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)CC1 1722575003 VHXSEHHIBKHMJS-LBPRGKRZSA-N 429.497 1.931 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722598590 LCRCRHHLNQJBSN-UHFFFAOYSA-N 449.519 1.868 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722607581 DVJCQRGTSVRFOJ-OAQYLSRUSA-N 429.525 1.295 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N2CCOCC2)C1 1722721410 JQVMHNMGCWMSBP-KRWDZBQOSA-N 432.550 1.274 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1729022725 FSJNBNIXSKLRLV-KKSFZXQISA-N 429.500 1.925 30 10 IDEE COC[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730453082 DXHSJRLFKWSKJB-ROUUACIJSA-N 447.547 1.923 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1740549070 DJLZNPMJVCTVCA-AZUAARDMSA-N 445.589 1.928 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC(=O)N(C)C)c1 1740563748 XFGCBUKQKPOUEU-GOSISDBHSA-N 438.532 1.707 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740619937 BAHKGDNNPLIQEW-AZUAARDMSA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740619992 BIFPZDLGOCKLCE-ZWKOTPCHSA-N 442.541 1.926 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740885106 XQQYJPWLLLLUTK-UHFFFAOYSA-N 428.541 1.609 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1 1740956325 OUMWXSSLSBFKAW-CYBMUJFWSA-N 447.337 1.677 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740960388 QLRPKPBTLZLQSK-FUHWJXTLSA-N 429.525 1.269 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741991746 MWVADWGPVAAZCN-VUANCPLDSA-N 427.509 1.164 30 10 IDEE CCc1nnc(N2CC(C)(C)O[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744583101 JOHXTLNWSHDRCJ-RPBSFSNWSA-N 430.509 1.141 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1748842743 UNUZXSPCQPUXHH-QHCPKHFHSA-N 432.484 1.070 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1748948830 XSZFSOGKEGZBJZ-MRXNPFEDSA-N 441.532 1.883 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCCCO)CC1 1748989549 NDEWUODVHJIUDW-FQEVSTJZSA-N 443.573 1.661 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)CC)CC1 1748994004 UBBOPGHTZUZFGM-UHFFFAOYSA-N 440.573 1.540 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCCC2)CC1 1749010180 OSGOYSAUNSYQFD-IBGZPJMESA-N 442.564 1.544 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749247193 MIPDXQQGVQVZJH-AWEZNQCLSA-N 435.916 1.033 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1749681699 GDYVMUPHJMAHAO-SJLPKXTDSA-N 432.569 1.461 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2nccs2)C1 1749697677 MFMDQYGEOBVCTM-RRFJBIMHSA-N 440.595 1.930 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749705072 FZOPMUDNZMYZJF-XGIGFIBQSA-N 449.515 1.956 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCOCC1 1750418094 HTPUWUPNFMADBP-FMQUCBEESA-N 426.452 1.371 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1750518724 GHBQHVSYMDLLHV-INZIPBBXSA-N 441.561 1.578 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCC(=O)N1CCOCC1 1760179247 CCVMFPFCGNPLFW-UHFFFAOYSA-N 429.546 1.897 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1760219339 BIUCKYCNXXUCCN-KRWDZBQOSA-N 426.546 1.152 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1Cl 1760223831 NTQKOUYABTWOKF-UHFFFAOYSA-N 426.908 1.991 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760286735 SXBOYMZGSYHHOT-WIYYLYMNSA-N 435.594 1.649 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1760336810 JLODZRJEVAUNMU-JKSUJKDBSA-N 430.596 1.407 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCc2ccccc21 1760500417 JQXRXDGLACDNLL-QHCPKHFHSA-N 425.533 1.987 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)c2ccco2)CC1 1760520535 RBMSAIGVRFRAFQ-UHFFFAOYSA-N 438.463 1.942 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760528105 SCLGNXMBUSJMFZ-JOCHJYFZSA-N 440.573 1.897 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760685302 SAVDJERODBOMTG-PXNSSMCTSA-N 437.548 1.928 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(CCOC(C)C)CC2)n1Cc1ccc(C#N)o1 1761239518 VDFFFBTXOSLSOY-UHFFFAOYSA-N 429.525 1.476 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCNc1ccccn1 1761478846 QDMYIFQWSVNQSH-HNNXBMFYSA-N 432.554 1.525 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H](C)O1 1763498493 PPVAXFSQBHIEGI-LPHOPBHVSA-N 447.561 1.882 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1766739763 MCTMKWNSBGXWLB-WKRVVKTRSA-N 442.589 1.886 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCOCC(F)F)cn1 1769007280 YBBWZBPQLWVMPI-UHFFFAOYSA-N 443.462 1.554 30 10 IDEE COc1cccc2c1OC[C@@H](C(=O)Nc1nc(N3CCN(C)CC3)c(C#N)cc1C#N)C2 1851947675 OVZQLJSOLDNCJP-SFHVURJKSA-N 432.484 1.775 30 10 IDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1853758639 KEGKSYRCQJYNIL-KRWDZBQOSA-N 436.578 1.191 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1C#N 1853859509 PMYKLGYEHAJXKG-LJQANCHMSA-N 430.530 1.108 30 10 IDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)CC1 1855590982 PZJAIOVJHSUQPX-INIZCTEOSA-N 431.514 1.248 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCN(S(=O)(=O)C4CC4)CC3)CCC2=O)cc1 1856638746 ZPTROIGIMUAQBB-QGZVFWFLSA-N 430.530 1.047 30 10 IDEE CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856738698 NAJYZKCCSNTCRT-IAGOWNOFSA-N 426.539 1.162 30 10 IDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1857242645 MAOUJFIJGDMYBB-IBGZPJMESA-N 437.606 1.854 30 10 IDEE COc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)cc1C 1857501001 WJOLRBKRXHMGQT-UHFFFAOYSA-N 427.482 1.857 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4nc(C)cc(C#N)n4)CC3)ccc21 1857969335 JNSZQAGCVUZOML-UHFFFAOYSA-N 426.502 1.077 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)NCC(=O)O)cc21 1858806492 CIECYRVKVBDBLP-UHFFFAOYSA-N 440.412 1.461 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCCOC 1870534653 MGQDWWFSFSXCIT-UHFFFAOYSA-N 448.608 1.896 30 10 IDEE C=CCNC(=O)c1cc2c(N3CCN(c4ncccn4)CC3)ncnc2n1CCCOC 1873586500 AEIQOLONHJXFHJ-UHFFFAOYSA-N 436.520 1.500 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NC2CN(c3cnccn3)C2)[C@@H]1c1ccc(C#N)cc1 1889549228 ZUOVDTUPPAPGIX-LEWJYISDSA-N 436.541 1.747 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCN3C[C@@H](O)C[C@@H]3C2)CC1 1890970962 SMAXGQDIAPQJGQ-CVEARBPZSA-N 427.530 1.769 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060637837 PIJZTLOKBZMAON-UHFFFAOYSA-N 435.334 1.171 30 10 IDEE C[C@H](c1nnnn1C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1 2069568608 NGGDZZKMHDGUQN-GDBMZVCRSA-N 444.565 1.361 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124540466 ICBLNAHBSJHTOH-HIFRSBDPSA-N 448.329 1.332 30 10 IDEE C[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N1CC(NC(=O)OC(C)(C)C)C1 2131758835 XDYSLBNFXQVJSS-CYBMUJFWSA-N 447.345 1.312 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243411907 CGWJZFKXAQOXMR-NEPJUHHUSA-N 444.384 1.991 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 2244369988 BKNKKPXFQBFSIJ-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247917677 DOCWSPWYCGPAIE-CHWSQXEVSA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2248404131 KHZXLFLHTZQOBN-LBPRGKRZSA-N 441.721 1.858 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626952 MCLRYJRKPZOPEM-QWRGUYRKSA-N 430.236 1.381 30 10 IDEE COCC1(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255648674 DNBGTNHPEOESDK-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267013055 DWVUTPVTSMVTBN-RKTXRCNFSA-N 448.325 1.989 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267267709 LWEDBSDYMIHTDX-IBGZPJMESA-N 436.365 1.585 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2C1=O 28323636 LPUXIASQOSXBGF-ZDUSSCGKSA-N 427.482 1.949 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(C)=O)C[C@@H]2C12CCN(S(=O)(=O)c1ccccc1C#N)CC2 247936434 LPPINOUGATZHMJ-MSOLQXFVSA-N 430.530 1.038 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460370542 MIRUQQJDZWLBNK-KRWDZBQOSA-N 430.557 1.761 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 470328170 NMJPKEHVXCVNML-LBPRGKRZSA-N 436.515 1.217 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(CCCC4(C#N)CCOCC4)CC3)C2=O)n(C)n1 499620268 RVBADQACUGJOMV-FQEVSTJZSA-N 428.581 1.942 30 10 IDEE Cc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 503627834 WWXQVWDVAIVEMS-UHFFFAOYSA-N 446.573 1.922 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CC2)c1 512234084 KGYYBNKMUACHOB-IBGZPJMESA-N 434.500 1.465 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3csc(C)n3)c2=O)cn1 524023640 BJWZMSCPJGCXHX-UHFFFAOYSA-N 438.534 1.940 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c1 525778022 LDDRNWBDDUCEIO-UHFFFAOYSA-N 445.544 1.886 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CO)c3cccc(Br)c3)CC2)o1 541983302 ITNCLJHEXVRVCL-KRWDZBQOSA-N 448.321 1.589 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC2CC2)C1 549685129 CIMHYTVEFOEBDO-MSOLQXFVSA-N 439.582 1.583 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C[C@@H]2CCCO2)c1 559121846 KYTQRJFTDJPGSK-NRFANRHFSA-N 449.559 1.740 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 586863518 PZCLJVDFDQMZLB-QGZVFWFLSA-N 436.509 1.167 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC1 588767779 GKGASLNTQNCPIF-UHFFFAOYSA-N 428.581 1.589 30 10 IDEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(=O)N(C)C 618433478 CNIHQRDIOVNXCG-UHFFFAOYSA-N 437.546 1.754 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@H]1CCCO1 619695224 YPGUBTPIKXGPCE-OAHLLOKOSA-N 445.516 1.266 30 10 IDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc([N+](=O)[O-])ccc3Cl)c2=O)cn1 726180157 BLDAMZYHFRVESS-UHFFFAOYSA-N 426.845 1.704 30 10 IDEE CC(C)C(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 726280334 LXOJABSCKDEARY-UHFFFAOYSA-N 434.562 1.612 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C)cc1 729668897 URRQFSUSUBQBPX-UHFFFAOYSA-N 443.532 1.884 30 10 IDEE CCN(C(=O)[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@@H]1CCS(=O)(=O)C1 729831824 BDNXYQBTWHONRH-LSDHHAIUSA-N 433.486 1.831 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCOc3cc4c(cc32)OCO4)CC1 734750653 BSIJKGOXLAFCSX-UHFFFAOYSA-N 445.501 1.345 30 10 IDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 747855111 IUCCAFCDAOWAHO-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)C1 759019405 OGUUNRHKIWPBIW-MRXNPFEDSA-N 442.582 1.753 30 10 IDEE C[C@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(Br)cc1 770503991 NDIPBIJWGJHMAJ-DOMZBBRYSA-N 427.320 1.909 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2cc(Br)nn2C)c1=O 782605710 RMKKYZFUHWDIHM-UHFFFAOYSA-N 426.299 1.730 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2=O)n1 788333231 XWHKLGHOTHPTRQ-GOSISDBHSA-N 430.892 1.959 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)n1 788655484 YIWLGWILZUKLLQ-UHFFFAOYSA-N 435.488 1.790 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 798107946 SONPHGYUHQDQGM-AAEUAGOBSA-N 438.330 1.192 30 10 IDEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cnn(C)n2)C1=O 807932364 YJYIYQMDMBBNAN-KRWDZBQOSA-N 447.540 1.544 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 812564407 ULGIWLHIWLICAE-SUMWQHHRSA-N 431.445 1.713 30 10 IDEE Cn1cc(/C=C\C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c(=O)n(C)c1=O 838930001 PNDHKUFPBYYPTR-FPLPWBNLSA-N 430.848 1.241 30 10 IDEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1 1084118354 VNQVQJPJCQADEG-UHFFFAOYSA-N 441.473 1.783 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1C[C@H]1CCCO1 1115869979 PKGWULSBCVDBNM-OAHLLOKOSA-N 444.582 1.474 30 10 IDEE N#CC[C@H](C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1ccccc1 1137922083 HCDTVCCSUPOMEJ-SFHVURJKSA-N 427.482 1.644 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)cc2)c1N 1140678523 DVUVUCWZVZRWEI-DZGCQCFKSA-N 432.406 1.809 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 1146248017 SPABHVJAOCWORL-ZDUSSCGKSA-N 439.490 1.843 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3n[nH]cc3C(=O)OCC)C2)cc1 1149318321 OFBREYLONVDJOZ-OAHLLOKOSA-N 430.486 1.128 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 1251420408 DTAQAPDOIPANNX-CYBMUJFWSA-N 425.513 1.278 30 10 IDEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1251850350 HPJIQEMBOPHEIH-VXPUYCOJSA-N 434.518 1.047 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1255362395 DIVFHHUHSGKBBQ-OAQYLSRUSA-N 440.569 1.953 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1OC 1286280055 SOALSMOSUCVZRY-IEZWGBDMSA-N 432.546 1.858 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286311899 NSQZCRMNKXBIFV-INIZCTEOSA-N 428.541 1.794 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286322454 FDFLAFVPRPUMFD-DBXWQHBBSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1286385634 OJRYUXSBHMCDNS-OAHLLOKOSA-N 448.593 1.555 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286390823 ABKFPDZDLZNLOR-KRWDZBQOSA-N 442.520 1.840 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1286863699 GEKAVHQMORQFKX-SSEXGKCCSA-N 426.546 1.786 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)cc1F 1289454200 IBZCRYSNOPDZFS-PBHICJAKSA-N 427.484 1.845 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1292221390 AOAPWIMDDXULTB-CZUORRHYSA-N 446.533 1.140 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cn1 1297869420 SMEALVJTHUIRHW-HXUWFJFHSA-N 436.516 1.868 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300316763 CWMZFTGVQRFESR-PKOBYXMFSA-N 445.589 1.954 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2[nH]ccc2c1 1300465407 MECSCHKSHRESOT-LJQANCHMSA-N 442.545 1.404 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300506166 NRWOBPWDQMSPQA-XWBFJWKOSA-N 442.607 1.304 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1300539046 WXQCEPHYXIKYDK-LJQANCHMSA-N 440.525 1.347 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1300555977 ATWHFDFGMHUSIA-MRXNPFEDSA-N 433.509 1.569 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1300648251 MIEFLXAKAWZWGE-UHFFFAOYSA-N 432.521 1.874 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1300665334 ZNYCSFVVKDPQTF-SFHVURJKSA-N 425.489 1.409 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300879542 DUQNFEGHIDCAFZ-SZMVWBNQSA-N 449.581 1.178 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCNS(C)(=O)=O 1300882963 ZNSRCZHPBHXZEW-QFBILLFUSA-N 449.577 1.920 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301609950 PYMLCPCOKOMRHK-HNNXBMFYSA-N 448.549 1.266 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301799797 NAJNVRXINYLMCW-UWJYYQICSA-N 434.541 1.511 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1301977747 RAVFZKFCLNOCQF-JTSKRJEESA-N 428.537 1.577 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1306196573 FPNXTDQHQDAPGY-KRWDZBQOSA-N 443.577 1.320 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)C1 1314008298 FUGIQOHGTNBMLL-YJBOKZPZSA-N 448.549 1.282 30 10 IDEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1314756739 IDLKJGKQDFUFJJ-UHFFFAOYSA-N 441.513 1.986 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCO[C@H]2CCOC2)CCO1 1316539891 HANOPRQZBPGEDQ-IRXDYDNUSA-N 431.468 1.921 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358955685 QYMSGTIWXHUQSK-IRXDYDNUSA-N 444.536 1.326 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1358963558 KEEQESYKPSFOLD-HKUYNNGSSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358965297 RVDCHBFYSXDODE-NQIIRXRSSA-N 431.562 1.298 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1358984062 GULKDPYMDGQQBD-UHFFFAOYSA-N 432.572 1.978 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1358985284 UWWGPIKUTRRBGR-GCJKJVERSA-N 443.573 1.649 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CN(C)CC)c2)CC1 1359034760 CBSWZMSKRHAPQA-NRFANRHFSA-N 435.576 1.484 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](COC)OC)CC1 1359039145 YEODHNUGPAFEMS-LJQANCHMSA-N 433.940 1.927 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC)C1CC1 1359251196 FMHIPEAKLGJSKY-IBGZPJMESA-N 447.561 1.823 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cnn(C)c1 1359296187 ZTSSKIIHDXCGDL-UHFFFAOYSA-N 425.493 1.634 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)C1 1359319732 FCSAMJMIBWIJGG-PMACEKPBSA-N 432.569 1.118 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359330357 OVCUSFRTEUBGCS-FQEVSTJZSA-N 434.566 1.175 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1360247516 ATLFGZCIUQOQAF-MJGOQNOKSA-N 425.537 1.666 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2(O)CCOCC2)CCOC1 1360336137 NUJYMJCBFSYKEC-JOCHJYFZSA-N 433.553 1.990 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1360469781 HCFUVRWRUXCXPV-MGPUTAFESA-N 433.534 1.892 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)n1 1448863418 VFQYYNJNPFISDD-XMSQKQJNSA-N 434.537 1.906 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C1CC1 1452647993 IIDBVICSFSUZLB-ZWKOTPCHSA-N 447.557 1.943 30 10 IDEE C#CCN(C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 1456088032 SQKHXQWORYAAET-GXTWGEPZSA-N 425.304 1.524 30 10 IDEE CCc1ccc([C@@H](NC(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c2cccs2)cc1 1459187061 NEWPBFSETALZHZ-HXUWFJFHSA-N 438.509 1.404 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 1459927831 BZWKZFKESBMKHU-OXQOHEQNSA-N 427.567 1.662 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)cc1 1470021327 VIGPVNWWXVUQTO-UHFFFAOYSA-N 448.526 1.011 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1507539329 UQFWUXDJYUZDCY-ZFWWWQNUSA-N 439.488 1.725 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507554732 WUSUTZCMGCFUCT-LJQANCHMSA-N 444.580 1.828 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1507571720 LCEVCXVVSCGEQA-QGZVFWFLSA-N 440.552 1.756 30 10 IDEE C#CCCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1507573080 BBXLKBOXMKSGCW-JOCHJYFZSA-N 443.527 1.989 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCS(=O)(=O)c2ccccc2)CC1 1507733291 SSEQWHRMKOKYOI-HXUWFJFHSA-N 443.573 1.749 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N(CC)CC)CC1 1507742549 LQANLICGZRGGDX-LJQANCHMSA-N 437.592 1.960 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507798436 NZPIQEYEDVJKCM-AOIWGVFYSA-N 442.568 1.990 30 10 IDEE C=C(C)Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1507835182 OWAWAKCHUBFOBE-FQEVSTJZSA-N 441.598 1.757 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1)C1CC1 1507993924 VXAQWBUBOAPABG-GOSISDBHSA-N 432.550 1.518 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1508075345 WIOVIUOUKZOGDE-HNNXBMFYSA-N 437.508 1.227 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cs2)CC1 1508081477 KLLBNRABTFUIFE-UHFFFAOYSA-N 426.550 1.677 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1508090380 HQKLYTSIQDPAED-AEFFLSMTSA-N 441.488 1.890 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1516949279 PPUNZDGGCGQQHB-UHFFFAOYSA-N 439.520 1.722 30 10 IDEE N#C[C@]12CN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1537005274 BEBJKDQBGXOKIJ-SIMVJXQJSA-N 438.303 1.272 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1539223228 ZQFUMBYKRKADSW-SJORKVTESA-N 426.608 1.798 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2Cc2cnn(C)c2)n1 1539424559 SSZQPNZKMULIQK-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC(C)C)N(C)C)CC1 1539477481 OCAWYTAIAZVVIB-RBUKOAKNSA-N 443.596 1.171 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1nncn1C 1539532915 GKHQHODAHNKAGB-BBWFWOEESA-N 431.566 1.839 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1539722116 LAQNRIVOGHXMEE-MSOLQXFVSA-N 442.520 1.902 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCNC2=O)CC1 1539953775 VFLWYUSZXPLCRL-HNNXBMFYSA-N 439.586 1.239 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1540872243 HVORRRPRJDTGMB-GOSISDBHSA-N 446.939 1.166 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCOC1 1540904619 OCEHSOUHBCICCC-QAPCUYQASA-N 434.518 1.617 30 10 IDEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)N(C)C 1541362050 AWEZSEXCQARAHG-UHFFFAOYSA-N 449.556 1.630 30 10 IDEE C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1541841653 HFDCEBJJRHGENH-IRXDYDNUSA-N 432.536 1.667 30 10 IDEE C#C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C1CCOCC1 1561770874 OXSHDJVEVUVJII-UXHICEINSA-N 436.530 1.372 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@](C)(C(=O)OCC)C2)cc1 1562197592 PDZNKQPVIBYIEZ-LJQANCHMSA-N 425.507 1.679 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 1566263585 AJEYFMDBELKBSW-MSOLQXFVSA-N 444.532 1.012 30 10 IDEE N#Cc1ccc(OCC(=O)NCCNS(=O)(=O)c2cccnc2)cc1Br 1583832211 GWNUPCUYTBNNNR-UHFFFAOYSA-N 439.291 1.189 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)Cc1ccon1 1587620619 IFKYLCCMNPOBFD-HNNXBMFYSA-N 429.506 1.214 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1587639795 NEOHOYUHMQBRBD-WMZOPIPTSA-N 441.557 1.813 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 1587766982 CPGQSDKYWOGWQN-OAHLLOKOSA-N 446.504 1.319 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1)C(C)C 1595171288 SGGSAAHHAQAARR-ZWKOTPCHSA-N 434.610 1.497 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 1595530002 PFMNDJDZOFWBQA-GOSISDBHSA-N 425.537 1.109 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2Cc3ccccc3O2)C1 1595674884 VLAPENGGQGLTQO-KBAYOESNSA-N 447.561 1.673 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCS(C)(=O)=O)C1 1595700295 MHMYFVCPHCFIKA-INIZCTEOSA-N 434.518 1.890 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cn[nH]c2)C1 1597630190 WQOXZQZFWBNTCS-IXDOHACOSA-N 442.524 1.743 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)c1 1617251603 FBRHJLKHUJHMEF-OAQYLSRUSA-N 430.468 1.445 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C#N)CC1 1618839816 ICQAFFLEIKVLDF-UHFFFAOYSA-N 442.343 1.325 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N(C)C 1620017826 VOOPVQNOYGQIIM-ROUUACIJSA-N 442.568 1.545 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1I 1625165458 NEXKJDADJNNZRA-FZMZJTMJSA-N 444.269 1.967 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)c1 1625969435 AFNXJSYRCFDSMR-SILNSSARSA-N 425.532 1.263 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)=NO2)C1 1628965063 HEUMKWHMJGMSQM-GOSISDBHSA-N 439.516 1.989 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1632241672 FQVVTCOOIMHCTC-KRWDZBQOSA-N 426.498 1.178 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 1632960607 KRBNUCMJBVRKDH-UHFFFAOYSA-N 443.485 1.564 30 10 IDEE C=CCOC[C@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1634058391 BPOOCMJZXDITGA-INIZCTEOSA-N 446.504 1.751 30 10 IDEE Cc1ccc(C(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)cc1S(=O)(=O)NCC#N 1635986216 UIZVVQODXSDSFW-GOSISDBHSA-N 425.514 1.817 30 10 IDEE C=CC[S@](=O)(=NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccccc1 1636976432 XYHPCUOVEXQAIM-PEGYKEAPSA-N 447.538 1.927 30 10 IDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1641800888 SRQGFWUONSISEM-UHFFFAOYSA-N 432.527 1.961 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CCOCc3ccccc3)CC2)cc1 1642226894 MWLXJQWGKYBZMG-NRFANRHFSA-N 429.542 1.832 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 1653704251 ZFBNHKHOBOOXID-SJORKVTESA-N 446.388 1.759 30 10 IDEE C#CCC1(O)CCN([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1654620567 ZSTJTCDBHCIIAI-CQSZACIVSA-N 427.954 1.768 30 10 IDEE Cn1c(N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1655861954 AKFLYDGWBULGHA-NEPJUHHUSA-N 431.415 1.238 30 10 IDEE C#CCCN1CCN(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)CC1 1661039440 NQLUWKQTPKIPFS-UHFFFAOYSA-N 431.480 1.627 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1680964853 YGJRCDRYRVPVKX-KGLIPLIRSA-N 432.340 1.679 30 10 IDEE C#CC1(F)CN(C(=O)N[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1682276811 XGOKWJYFPNKIML-AWEZNQCLSA-N 444.326 1.969 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1689892457 GEKXDJFXSRCTHZ-QGZVFWFLSA-N 448.593 1.368 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1690150680 QECYLIRUDWVCFF-UHFFFAOYSA-N 435.532 1.735 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690725169 HSTCXWSQIDCYTB-QGZVFWFLSA-N 446.577 2.000 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1692845485 GJDHUSQZNTWVBH-AINLKENTSA-N 446.515 1.920 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(=O)(=O)CC 1694333933 HEQZTHHYZVCHPH-IBGZPJMESA-N 439.586 1.266 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1698028203 AVDORJJHYXDQKY-HXUWFJFHSA-N 435.536 1.828 30 10 IDEE N#Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)F)CC2)o1 1698488927 UZDQKACCQFRLDN-UHFFFAOYSA-N 442.430 1.825 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1705549937 NPZAVPZNGGVTCU-QHCPKHFHSA-N 436.516 1.940 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1705560732 MWZVJFNOLIWGQT-IRXDYDNUSA-N 436.578 1.746 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1705565467 IKNMFPBCYCNFSC-GBESFXJTSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705569904 LDFAJLPBVJTJAX-NFBKMPQASA-N 442.585 1.851 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1705614611 ORWXIXSEGHLWNS-QZTJIDSGSA-N 449.552 1.852 30 10 IDEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705758601 ANFCMJBONZZHJT-HNNXBMFYSA-N 430.896 1.065 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2OCCC2(C)C)CC1 1705769460 SVSMUNMPHRPSMB-IRXDYDNUSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCOC)CC1 1705907392 LEPGTKSNEMILGY-UHFFFAOYSA-N 437.548 1.352 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1c(C)nn(C)c1C 1705932081 KPPAMFWJPWSZKB-UHFFFAOYSA-N 429.550 1.928 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)OC)C1 1705936710 XADCDAMCHLNRCY-HOTGVXAUSA-N 426.539 1.162 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CCCC1 1707911763 OAOJEUDBXHNIOD-UHFFFAOYSA-N 429.550 1.537 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708473510 BGQIOFIZPHDGGL-UGOXKZBKSA-N 427.509 1.177 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(F)F)C1 1712912660 CZECDYXOYHKHCP-KMJMQOOCSA-N 444.446 1.743 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1722293132 BPVAWCUMNDQVMC-LSDHHAIUSA-N 438.579 1.158 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1722296447 QATZXJPASOSGJV-YJBOKZPZSA-N 435.525 1.565 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCCOC)cc1 1722351060 GDNSIQZAXVNRCI-IBGZPJMESA-N 432.546 1.461 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1722352399 ONGSPUQYUUIGOP-KDOFPFPSSA-N 442.463 1.700 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1722359007 HWMUXZJIPOAPIC-UWJYYQICSA-N 432.546 1.741 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1722367328 MQWCJVLPGZPPLT-SJORKVTESA-N 432.546 1.943 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(=O)NCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722368818 SZKDOPBQLRAXFH-LJQANCHMSA-N 441.557 1.141 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722381092 HQHMAHYCKYSJPM-UXHICEINSA-N 446.511 1.468 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)F)cc2)CC1 1722430144 YNQGAWOMTUZBKY-UHFFFAOYSA-N 432.475 1.821 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CC1 1722444091 UKGDTLQDDVAZCX-UHFFFAOYSA-N 447.543 1.555 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC)C1CC1 1722650683 INEDOMGQWZOYKN-INIZCTEOSA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NCC)CC1 1722693729 YOGBGYHFLRDCTQ-UHFFFAOYSA-N 431.928 1.752 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCC2=O)C1 1722720673 OCFIZWAQXDQNCR-GOSISDBHSA-N 430.553 1.584 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722726066 YJLRZPXUFZQFMN-OAQYLSRUSA-N 429.546 1.713 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1722726221 ZEYYWROXGIDRAG-CVEARBPZSA-N 425.555 1.165 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726968013 XEDKHZOMZKSGIE-PVHMMBIOSA-N 429.525 1.410 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1727926375 JKZPUEYGRLZYFO-RHSMWYFYSA-N 431.566 1.915 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1729376219 SUFSUJFTYZZFGK-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1730953773 ASZAISOALVEFQX-QKLQHJQFSA-N 444.511 1.984 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCS(=O)(=O)CC1 1740558548 WNVOYVZZVRKMFJ-SFHVURJKSA-N 446.573 1.872 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1740635969 SRGHLAFVXQAHJB-UHFFFAOYSA-N 442.541 1.860 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740722894 KSYQSZOOFRVFKH-QFIPXVFZSA-N 449.621 1.990 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)cc1 1740967581 KXLLQHUBLDUALS-IBGZPJMESA-N 447.561 1.824 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1741991706 HESNWFKLDLNSNR-HXUWFJFHSA-N 434.447 1.712 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CC=CCO1 1744090986 LHWVSCAAFUHPPJ-RBUKOAKNSA-N 427.553 1.718 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 1746733080 DXDSBMQKMLPVSC-TXTKFYIRSA-N 440.548 1.962 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748994237 VNFLKWJVBJWUTG-FQEVSTJZSA-N 426.590 1.944 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCS[C@H](C(C)C)C1 1749721474 KYNLJTRLUUQGNB-HNNXBMFYSA-N 429.612 1.595 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1750075038 AMKWCZWHJICKRM-JKSUJKDBSA-N 449.556 1.661 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1750101093 NERKMHJHOXLYQH-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1750209718 GARKJKOIUDWAML-UHFFFAOYSA-N 430.465 1.679 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCCO)CCO1 1750387403 YGKHEGUXIJADBE-ZDUSSCGKSA-N 425.287 1.163 30 10 IDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1750905912 SOFZSSOKPHCRBZ-HSZRJFAPSA-N 437.548 1.737 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760137055 DZQRLNBPTVONNU-LJQANCHMSA-N 437.548 1.796 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1CCS(=O)(=O)CC1 1760166237 WSGJRWXDFNSAQH-UHFFFAOYSA-N 440.367 1.940 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760187069 TWRYVEDWYPWRCA-HOTGVXAUSA-N 439.582 1.723 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CSCCS1 1760199120 PKTBYYSPCSJBKT-SFHVURJKSA-N 436.570 1.842 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1760249893 BOIOIZBEZFATOE-GOSISDBHSA-N 446.573 1.788 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760430009 WUMDVBPUNLUPGN-GOSISDBHSA-N 430.553 1.584 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1760520813 AGWDGHCEKVZJKQ-QZTJIDSGSA-N 426.521 1.400 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1760521531 WHVKQLFQXRVTLG-QGZVFWFLSA-N 428.493 1.185 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760527645 DEEFKUGOSSFMOH-ZBFHGGJFSA-N 428.468 1.013 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1760527978 OOBCHHISBHFUMI-INIZCTEOSA-N 443.504 1.557 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)C)C1 1760536315 GTXBBPDGIUZTGW-AWEZNQCLSA-N 437.342 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)C)C1 1760554949 RSCCMZCPNOYVDM-HOTGVXAUSA-N 430.596 1.263 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1765679069 TZFKHXKKJKFXAD-RHSMWYFYSA-N 434.522 1.203 30 10 IDEE CCOCc1nnc(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)n1Cc1ccc(C#N)o1 1767794325 AFMVGSYFLPYGQZ-OXQOHEQNSA-N 441.536 1.316 30 10 IDEE CCOCc1nnc(N2CCC(C)(COC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767819141 QQFKVHSVDQCVEE-HNENSFHCSA-N 432.525 1.594 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC(=O)N(C)C 1767934466 DYSPPOJMXPGOHE-UHFFFAOYSA-N 429.500 1.630 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C[C@H]1O 1769449271 LPXYREXJLDJMJV-CGTJXYLNSA-N 427.530 1.930 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCCO)CC2)nc1 1770739104 WTNUDHVUXORZJM-GOSISDBHSA-N 438.536 1.375 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1770785872 IMWSCSJIYSEOFV-HOCLYGCPSA-N 438.529 1.776 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1772516216 ZWTJKIJWPYSKDP-LJQANCHMSA-N 437.525 1.626 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)CC2)cc1 1849895941 JVDZERPFZAOERP-SFHVURJKSA-N 439.541 1.565 30 10 IDEE C#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1851050315 ZXJSIXMVKGOMGJ-GOSISDBHSA-N 427.929 1.800 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2C[C@H]2C(=O)NCc2ccccc2)CC1 1852445752 YKKRDNBRCUUFOP-RTWAWAEBSA-N 433.512 1.571 30 10 IDEE N#CC1(CNC(=O)Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)CCOCC1 1853199757 OTMGERZAWQMFLE-UHFFFAOYSA-N 425.367 1.369 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3nc[nH]cc3C#N)c2C)C1 1853354273 JIOKQKYTQFSMCQ-CYBMUJFWSA-N 435.410 1.805 30 10 IDEE CS(=O)(=O)C1CCN(C[C@@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1856948372 OIPVOJSOKNBQCH-IBGZPJMESA-N 431.558 1.765 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(C#N)c3)cn2)CC1 1858277820 POPPWNVBDWQDKI-UHFFFAOYSA-N 427.486 1.816 30 10 IDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O 1861518436 ZXJAATFWAUZVTB-DYESRHJHSA-N 447.491 1.982 30 10 IDEE C=CCNC1=C(c2ccccc2F)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863643940 WUIQTXBNANSGOR-UHFFFAOYSA-N 429.473 1.571 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1868824046 VGLWMINKUMRIQN-UYAOXDASSA-N 434.558 1.835 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1OC 1870099583 MZASJDRBHOBCRC-UHFFFAOYSA-N 442.413 1.804 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1984869633 OOGNVXOMSYJOQL-UONOGXRCSA-N 427.498 1.777 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(C[C@H]2CS(=O)(=O)CCO2)C1=O 2069462892 SZRWRZKGKCNLJT-GJZGRUSLSA-N 439.559 1.185 30 10 IDEE C#CCn1ncc(NC[C@@]2(NC(=O)OC(C)(C)C)CCOC2)c(Br)c1=O 2106092930 JJDZUMSTFUALAJ-KRWDZBQOSA-N 427.299 1.735 30 10 IDEE Cn1c(Br)nnc1CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2128781231 OOASHMUXCZDFDC-LLVKDONJSA-N 429.319 1.823 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(I)c1 2215649801 QSVAKSIXQLYVHM-LBPRGKRZSA-N 446.289 1.911 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248443379 NKJFGQNEWCMRJG-IBGZPJMESA-N 439.343 1.753 30 10 IDEE CO[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1NC(=O)OC(C)(C)C 2255545029 JZYATGNNUJYINY-CABCVRRESA-N 436.314 1.943 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255613188 AWUHFDVNLRJREC-CQSZACIVSA-N 432.330 1.625 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619676 RIVLTNOGZNFOCU-GHMZBOCLSA-N 430.236 1.381 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2255643738 XAQDEROUPHAZJR-MNOVXSKESA-N 447.288 1.971 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2255656231 YBFASWVFYZCZFN-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2255695891 MBZPYIWEZYNECX-UHFFFAOYSA-N 425.338 1.301 30 10 IDEE CCn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255815536 PCKURHMKRHSPLB-UHFFFAOYSA-N 434.346 1.989 30 10 IDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256606306 RUEIDQRZZQJUHD-CQSZACIVSA-N 436.318 1.562 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2267266626 QTFUSFYASMQRCG-INIZCTEOSA-N 444.341 1.909 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267275500 OUGPYNMPUVBMIX-QDMKHBRRSA-N 444.341 1.619 30 10 IDEE CONCCNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282492575 PPPLPCFUDFQWEY-UHFFFAOYSA-N 425.143 1.722 30 10 IDEE C[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2282507381 GTSGUXFSJQOUTF-CYBMUJFWSA-N 446.400 1.651 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2315523034 LOKWYGKPNKCQRX-BTTYYORXSA-N 432.330 1.314 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334263654 YZWCIYDFBMGDCW-IIAWOOMASA-N 446.357 1.705 30 10 IDEE CC(=O)Nc1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 96350197 PKOUJFCCHWTNDA-UHFFFAOYSA-N 441.509 1.447 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCO1 409576037 MBJINKBNMBHQCO-VXGBXAGGSA-N 439.847 1.391 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 426286915 TZLZFUMTXZJPSD-UHFFFAOYSA-N 429.399 1.743 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 429301707 NYRXFCJMVGMDSF-IAGOWNOFSA-N 429.521 1.232 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 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VEGHTKCMTJXJIZ-RLLQIKCJSA-N 434.558 1.977 30 10 IDEE COc1ccc(Br)c(-c2nnn(CCS(=O)(=O)c3ccc(C#N)cn3)n2)c1 567081994 OKIPMDUOGXFMNN-UHFFFAOYSA-N 449.290 1.852 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)cc2C1=O 568314993 SCGNMLRLIUHEJL-UHFFFAOYSA-N 427.482 1.649 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(O)Cc4ccccc4C3)CC2)cc1 609997142 ZWWZYCRTKQZBDF-UHFFFAOYSA-N 439.537 1.605 30 10 IDEE COc1ccccc1N1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 747428328 PBHFLAGVRDTDEY-UHFFFAOYSA-N 428.514 1.519 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 751923125 SCXDLHUZHSQBLZ-DOMZBBRYSA-N 439.969 1.474 30 10 IDEE NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 758312491 AOHXWSLCZDHGFK-WBVHZDCISA-N 434.562 1.836 30 10 IDEE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 769002328 UNBOAZYFWBOKHZ-HNNXBMFYSA-N 432.912 1.362 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 769165993 ZOFIAUWTGLPEEA-WCWDXBQESA-N 437.544 1.751 30 10 IDEE C#CCN(C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 774037480 IEVVCGRRJZGCQG-MRXNPFEDSA-N 439.559 1.515 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NS(=O)(=O)CC3(C#N)CCC3)C[C@H](C1)C2=O 778735545 JWFDQGDAFHOPPB-GOOCMWNKSA-N 439.534 1.588 30 10 IDEE Cc1cc(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1 780208914 FSZBYSFMUWAKJU-PXNSSMCTSA-N 430.482 1.796 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)n1 789037396 LWPHHLFFRZEXEQ-OFNKIYASSA-N 439.560 1.964 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12 800255924 FNGFHJGTMJRQEM-QMVVUROPSA-N 437.496 1.822 30 10 IDEE NS(=O)(=O)c1ccc(C=Nn2c(S)nnc2[C@H]2CCCO2)cc1Br 807958293 SIAXIHQFATWQBR-SNVBAGLBSA-N 432.325 1.710 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811457608 LTQRSHQDGULZLE-PBHICJAKSA-N 436.534 1.598 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)cc1 1083939919 QNWKJCGERYQYII-UHFFFAOYSA-N 447.502 1.335 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cn1 1084283371 OFXHSHLPXBHQKK-UHFFFAOYSA-N 425.522 1.537 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)C2=O)cc1 1116951273 BSNPBQHELOQPCX-YVWKXTFCSA-N 440.500 1.447 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 1128569521 PYDLYCMNUHFIJG-AWEZNQCLSA-N 444.351 1.833 30 10 IDEE COc1cccc(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c1 1136168523 DRZNTSXRVXUNJO-UHFFFAOYSA-N 445.472 1.730 30 10 IDEE Cc1ccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)NCC#N 1140905680 FSGPYQGEKXWHLE-HZPDHXFCSA-N 440.525 1.893 30 10 IDEE Cn1nccc1[C@@H](O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1148571946 DDVRHHGDGRAETL-FQEVSTJZSA-N 445.545 1.211 30 10 IDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1149175999 FFAGOLLVGINOMQ-OAGJVSPASA-N 428.489 1.839 30 10 IDEE COC[C@]1(C(=O)OC)CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1166575802 AZZJLRCXDPMGQP-IBGZPJMESA-N 436.306 1.938 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1167536122 XGIKOGVKQGXJST-GJZGRUSLSA-N 440.949 1.738 30 10 IDEE N#Cc1ccc(N2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 1175444288 IOTYRYVJJHJTRD-UHFFFAOYSA-N 434.500 1.937 30 10 IDEE CCc1c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nnn1Cc1ccc(F)cc1 1183877908 ABUQUEJTBZSAPS-UHFFFAOYSA-N 442.476 1.817 30 10 IDEE COc1ccc(C(=O)NCc2nc(C#N)cs2)cc1S(=O)(=O)NCc1ccccn1 1184371681 XRRRURDMIIZINI-UHFFFAOYSA-N 443.510 1.827 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1=O 1286366076 SNADFMDIVZIDMS-UHFFFAOYSA-N 429.546 1.821 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1286388020 KHXBCRLRXMTQHB-INIZCTEOSA-N 445.501 1.656 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@H]1C 1286438441 VZJZFZNWPCSTDE-HRAATJIYSA-N 447.561 1.195 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 1286470047 OZWBCHJEGYKQCY-LJQANCHMSA-N 432.546 1.862 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)N2CCCC2)CC1 1286471189 JWRKEFXKRGCNRC-IBGZPJMESA-N 439.564 1.602 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286492962 CHLOZBQGLBZUFF-QFIPXVFZSA-N 430.622 1.634 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286503909 HAENBTCTAUUSAX-OAHLLOKOSA-N 444.561 1.867 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(C)n1 1286748414 XOFMELYFBWXHMN-AWEZNQCLSA-N 435.579 1.924 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)cc1 1286797234 SLISTDVTRNUUDU-DLBZAZTESA-N 445.545 1.105 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nc3ccccc3o2)CC1 1286821157 CBEZBJLVDHTWHW-UHFFFAOYSA-N 430.534 1.909 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1288982124 PZFGBKZNSBCKFV-RTBURBONSA-N 435.575 1.610 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)s1 1292985816 HWZIUSPRDQRQBM-INIZCTEOSA-N 427.592 1.515 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 1293540487 DVTCSBMLOSCPPR-FQELHTAISA-N 445.545 1.370 30 10 IDEE COC(=O)c1cn([C@H]2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1296091419 XNFLHYFUBIJAMA-INIZCTEOSA-N 431.493 1.489 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C2CC2)C[C@H]1O 1299413989 UOWJPVHSXYDROL-GUDVDZBRSA-N 425.489 1.602 30 10 IDEE COc1cc(C)c([S@](C)=O)cc1OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1299683590 KEQTVIIHEPKOFB-QYSRSOONSA-N 436.511 1.885 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1300306923 AHLLRRFQONOIKP-HTAPYJJXSA-N 425.537 1.716 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC2)c1 1300334497 NLZXYNQFRABZHB-QGZVFWFLSA-N 427.530 1.646 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1300340117 VAROYWNISONZHB-HOTGVXAUSA-N 440.570 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301578534 CXTKDXVYKCEPRZ-SJLPKXTDSA-N 444.561 1.497 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1301586400 SDYPBUWCSPUSEW-KRWDZBQOSA-N 431.566 1.652 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C1 1302172760 FPAZVCCGPKJILD-IBGZPJMESA-N 426.521 1.973 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N1CCOCC1 1302954398 MWAWPMITOHXWOO-LJQANCHMSA-N 438.580 1.791 30 10 IDEE N#C[C@]12CN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1304273233 VQKAXBPVTVZUHA-SXWKCWPCSA-N 437.521 1.424 30 10 IDEE N#CC1(C[C@H](O)CN2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCOCC1 1307667025 QJYQFFVHENFAKO-VQTJNVASSA-N 433.574 1.915 30 10 IDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1309493748 HZPZILGHMCGDKF-UHFFFAOYSA-N 440.421 1.448 30 10 IDEE CN(C)C(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1314635845 GJGWVBCLDASXAW-UHFFFAOYSA-N 445.531 1.335 30 10 IDEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCC1 1314657843 HVRDIWAXIIJIHA-JOCHJYFZSA-N 437.548 1.915 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1316284498 FQWXUYBCTVCOLZ-LHYBATLDSA-N 444.536 1.763 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316312493 NQXVNWXPUWDCHY-RWNPKEDZSA-N 433.472 1.568 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 1321470705 NTXWHAGAVYDYTE-WUKNDPDISA-N 429.443 1.617 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1358960196 ZFLCKXMNPSNQOG-RXVVDRJESA-N 432.546 1.359 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1358963535 JTWAOINUKFODSX-HXUWFJFHSA-N 429.590 1.967 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1358968128 ZVUHJLINUWXSBZ-KRWDZBQOSA-N 433.534 1.283 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1358994656 SVDLFMNNWVGKES-RTWAWAEBSA-N 439.585 1.946 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCNS(C)(=O)=O 1359256561 JOTRUCXIOJFMMY-LJQANCHMSA-N 444.561 1.786 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCC(O)CC2)C1 1359324392 KICIDDNDRSSCSC-NRFANRHFSA-N 443.596 1.768 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCOCC1 1359821820 WBUDDPRYBTWYIQ-UHFFFAOYSA-N 439.520 1.260 30 10 IDEE Cc1cc([C@](C)(O)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)o1 1361002135 AKZDXOIYWUIYOR-NHCUHLMSSA-N 430.484 1.960 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]([C@@H]2CCCO2)C1 1439561394 CJXISOSRYNUBMU-QRQLOZEOSA-N 449.529 1.451 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1440546866 HWVFKSIMBFZXET-LJQANCHMSA-N 428.338 1.758 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1440834469 ZBUPUVUFLAGGCY-FQEVSTJZSA-N 442.560 1.754 30 10 IDEE CCO[C@H]1C[C@](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)(C(=O)OC)C1(C)C 1447830132 HILFUSMXVFPVRI-KXBFYZLASA-N 426.466 1.600 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1447989316 ZXGAKHZRPRILTO-UHFFFAOYSA-N 432.468 1.695 30 10 IDEE C[C@@H]1COCCN1C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1450520718 DDIUZMLRXGINOI-OXQOHEQNSA-N 439.516 1.475 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)cc1 1470687531 AWUQRZLZYTYNMD-UHFFFAOYSA-N 448.545 1.963 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1504855260 ZBBLCGNIQVZCHB-KRWDZBQOSA-N 441.536 1.672 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCn1cc(Br)cn1 1507659072 VCXKHTFLYCCULN-UHFFFAOYSA-N 446.353 1.929 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1507690353 RHSLEAFWSUAZTE-SFHVURJKSA-N 433.534 1.127 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1507732190 JWYBORYLQWXZMV-UHFFFAOYSA-N 442.511 1.730 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507957521 PUUXDFSBEJJMRR-INIZCTEOSA-N 427.509 1.575 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCOCC1 1507970202 FVXNIBRCSXJONK-UHFFFAOYSA-N 434.566 1.710 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2CCOC2)CC1 1508096458 GSWTWXRFZFSIAY-HBFSDRIKSA-N 433.553 1.557 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1514392597 ZRVRUGVIDTZSIM-IBGZPJMESA-N 447.561 1.883 30 10 IDEE CCOCc1nnc(N(C)C2Cc3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516449152 NCTHQGKEXPEMDP-DQRAZIAOSA-N 436.516 1.945 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517471474 YPCUKAGBCHEQAY-DSGGYQJVSA-N 443.552 1.356 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1 1519158717 FPXFNMWSVCUFKH-UHFFFAOYSA-N 443.533 1.497 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2cc(C#N)ccc2OCCOC)[C@H]1c1nccn1C 1521775292 CLIJLBGXODTZHV-OALUTQOASA-N 427.461 1.244 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@@](C)(C#N)C2)c1 1533644358 FKQIWAGIRCCQBA-NRFANRHFSA-N 434.562 1.929 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)Cc1ccc(C#N)nc1)C2 1534891370 XDEBCWRXDKVFOK-ULYRPOKDSA-N 428.489 1.801 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1539005639 ZYSSYZIEIFHSJL-MRXNPFEDSA-N 435.532 1.812 30 10 IDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539116657 PDFBVBCPMBRNRJ-UHFFFAOYSA-N 435.532 1.333 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC(F)(F)F)c1 1539148472 LDFMGUXMSGEHJC-LBPRGKRZSA-N 446.455 1.342 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539200390 HXNWZRLYGQIUDX-MSOLQXFVSA-N 447.605 1.967 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539203885 VUKKOORGAHOIPB-HNNXBMFYSA-N 435.516 1.912 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539520177 OWDZLOATSWYBIY-MRXNPFEDSA-N 427.640 1.999 30 10 IDEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539816937 IBCOSLACPRLOCF-UHFFFAOYSA-N 443.939 1.691 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1540865292 ALPQXLPPEULRNJ-LJQANCHMSA-N 432.488 1.221 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nnc(O)n3C2)cc1 1542161977 ZDIISLCABROTPL-XFJHAZTOSA-N 446.533 1.778 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(CCOC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1545566550 LORMJZXGZKJSQH-IGGDJGDASA-N 431.541 1.086 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1546725880 IPPHGFOHNIUNCR-MAUKXSAKSA-N 432.550 1.760 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CCO1 1554451254 COXMZIRNPPJLNR-LMMKCTJWSA-N 442.495 1.818 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@@H](O)C2)C[C@H]1O 1554545182 JCVFOWKLLSRYFK-MTFMMBMASA-N 439.516 1.728 30 10 IDEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(F)(F)F 1554617412 RUSYHTLKXXRHAD-HOTGVXAUSA-N 449.437 1.998 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CCOCCCO)c1 1555986908 FBAUTCPLZNXCNM-HXUWFJFHSA-N 440.548 1.374 30 10 IDEE CCOC(=O)[C@@]1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1558005881 HIHUOKNXMYZNQQ-OAQYLSRUSA-N 449.529 1.140 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558511387 RRMNDKVSAQJVEC-AOMKIAJQSA-N 445.541 1.990 30 10 IDEE Cn1nccc1CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1560230369 XHZDHGBPNUTMFW-JOCHJYFZSA-N 439.539 1.086 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 1570823874 JWJCNSRJMOQVFJ-CQSZACIVSA-N 449.451 1.784 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 1587500781 HULYVJQNQLWFNR-OAQYLSRUSA-N 445.516 1.543 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1587638174 CJKINQOYAJPTBI-USXIJHARSA-N 447.536 1.121 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1588039640 BBSKLLJJBBXLOQ-MOPGFXCFSA-N 441.557 1.413 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1588229573 YMHBJRMFLXBVQT-HXUWFJFHSA-N 430.549 1.847 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1588574364 FZQNKCPXAMGLQD-IRXDYDNUSA-N 440.614 1.095 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccc(C)nc2)n1 1588724160 UQKGJBGBLVIGAN-UHFFFAOYSA-N 443.515 1.970 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1588805961 DNEGQWXLUVZUCS-UHFFFAOYSA-N 430.516 1.288 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2COCCO2)CC1 1588947903 YGWQBVGNBJDNBG-FQEVSTJZSA-N 441.507 1.389 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCn1cc([C@@H]2CCOC2)cn1 1589134754 ODGNONIRDXMLGM-VGOFRKELSA-N 425.537 1.809 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1593689669 CZERQEXXHQFLOY-CVEARBPZSA-N 427.571 1.365 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1594963860 YLKZMHWVCYQXMD-MRXNPFEDSA-N 435.506 1.010 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C 1595465998 CBGYWYOBBVPZDS-CQSZACIVSA-N 432.912 1.389 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C)C1 1595760090 KGGYWHDHRRVXLR-KRWDZBQOSA-N 447.561 1.973 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1596813289 HJIPKWYJBAMHQW-OAHLLOKOSA-N 443.533 1.757 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1610043004 BLPYFPQTINGDLG-UHFFFAOYSA-N 431.504 1.458 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1611697668 YNEWUAXIBTZNHQ-HEHGZKQESA-N 432.497 1.443 30 10 IDEE N#Cc1ccc(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c(I)c1 1616833688 NWANTWWTEVTEBS-SECBINFHSA-N 438.185 1.115 30 10 IDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1619810403 MVOUZVKUHPRQHF-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)C(=O)OCC 1624251629 HLSYSJGBMXPKRU-CYBMUJFWSA-N 429.905 1.997 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nnc(S)n3C)CC2)s1 1628422396 VTGFIOMEMAIZNM-UHFFFAOYSA-N 441.604 1.578 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1629379193 ASHUEYNSUBZDSX-IBGZPJMESA-N 445.497 1.787 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1635977279 VVJCGIFTVPMYMA-OVYGPGRDSA-N 428.551 1.506 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(CO)CCSCC1 1637780342 QBYFTHUCIKSGQH-UHFFFAOYSA-N 425.576 1.660 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1640794092 IMUGFJNCKIQTLA-HOTGVXAUSA-N 430.530 1.481 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1648734307 LJKVKFQRMFKFEL-MRXNPFEDSA-N 443.525 1.653 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c(C#N)cn1CC 1671036569 DFPWWQZECWUAAE-CYBMUJFWSA-N 425.511 1.349 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC 1680686356 WIXDKNBCLFSYNF-AWEZNQCLSA-N 435.468 1.510 30 10 IDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(N2CCCNC2=O)cc1 1682772617 RSMHATKKNKYFFI-UVFQYZLESA-N 431.518 1.247 30 10 IDEE C#CCN(C(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1683620102 CBFNWLLMTKGECQ-VXGBXAGGSA-N 430.470 1.046 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1689892248 BEYZCJYUUOFEIC-IEBWSBKVSA-N 430.578 1.786 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690003793 YHGBFVLYPGONFB-PMOQBDJRSA-N 428.533 1.730 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1690112181 QVEYWJTXUDKOCW-NHCUHLMSSA-N 432.613 1.878 30 10 IDEE C=C(C)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690296937 YKBQUMVSIGWCFJ-JOCHJYFZSA-N 435.569 1.874 30 10 IDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O)C1CC1 1690543482 GGVYQSOVZYUZHU-UHFFFAOYSA-N 442.545 1.782 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1690668175 WDINYKKWHHUZJE-HXUWFJFHSA-N 434.548 1.692 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696055449 GBALBGJABNBMIE-LEWJYISDSA-N 428.493 1.406 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1696441617 XFEJGOJOARFDJV-WZONZLPQSA-N 440.548 1.515 30 10 IDEE CN(C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1696753945 KKCJWYXJGRVZJD-JKSUJKDBSA-N 448.549 1.403 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCCS1(=O)=O 1698150535 ODPZILLVAOHLCE-QFBILLFUSA-N 440.570 1.168 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705549945 NWNCOMHGEMEOKX-IEBWSBKVSA-N 428.562 1.922 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COc2ccccc2O1 1705573132 ZYWQJLSHNIFFGI-KRWDZBQOSA-N 428.452 1.838 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1705598513 KZJGNECNYVLCRH-LJQANCHMSA-N 445.520 1.261 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705612830 PUQJLHXHCVNBLY-ZWKOTPCHSA-N 441.557 1.693 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC2(O)CCC2)CC1 1705642828 IVJVEHLSSOZTQT-UHFFFAOYSA-N 425.533 1.926 30 10 IDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705758375 SUDWYESDNMHPLC-KGLIPLIRSA-N 434.953 1.985 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCSC2)CC1 1705769427 RXPPRTHOSFMLAY-VQIMIIECSA-N 425.624 1.774 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705828142 DRRSZCGWPQKVEK-IBGZPJMESA-N 426.569 1.544 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC 1705931443 PRODUIVWMHLYFC-UHFFFAOYSA-N 426.564 1.796 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCC2)C1 1711019326 BWZKRBXPYRXFAO-UHFFFAOYSA-N 430.534 1.467 30 10 IDEE CO[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C[C@H]1OC 1712681317 TYXSYGGCJZXYLS-LVCYWYKZSA-N 431.493 1.682 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722366547 HVKACVIXICSBPD-AQOAWAETSA-N 443.573 1.826 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(C)n2)CC1 1722432694 YWYWUSJMKHSRON-UHFFFAOYSA-N 430.516 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N[C@H](C)CC)CC1 1722444773 FPGBUMWDLGLCTD-QGZVFWFLSA-N 437.548 1.611 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1722461756 PXTOKNOESVIYNL-HOTGVXAUSA-N 427.596 1.214 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1722491599 BGZHIRPNXWINOW-FHWLQOOXSA-N 441.598 1.445 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(OCC(N)=O)CC1 1722511191 XNXQFSXHEFZTQP-PGRDOPGGSA-N 440.548 1.716 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1722515299 JHEDBCHQRIRBKE-SFHVURJKSA-N 425.537 1.912 30 10 IDEE C=C(C)COCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722538334 NVHHRYGOEUDESJ-FGZHOGPDSA-N 433.553 1.770 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722544477 TUFOWZUFJZJGGH-HXUWFJFHSA-N 431.928 1.979 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)C1 1722710820 OSAASHKIOIMZSO-HIFRSBDPSA-N 441.504 1.996 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740574449 LHHKPNKZHPPDNT-MOPGFXCFSA-N 435.594 1.142 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1740643360 GXCPAYQCRQJBJH-UHFFFAOYSA-N 437.500 1.187 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740683199 XWVOTJAQPPWISM-QGZVFWFLSA-N 440.470 1.633 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740709900 NTMLXWYVHJKPGM-QZTJIDSGSA-N 434.610 1.330 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740900714 WXYFTTWHJFQQRP-OGNFBWPZSA-N 439.582 1.174 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740961196 OIJUWTVEZKNRFM-QGZVFWFLSA-N 443.939 1.381 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)OC 1740990089 IFYWFQWAXLTJMQ-UHFFFAOYSA-N 446.533 1.834 30 10 IDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)s1 1742734549 FFTIAGDQGZUFNE-INIZCTEOSA-N 443.558 1.843 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](COC)C1 1747433232 NTGCSZUULKZAEN-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748803435 YPUUBPOTXDQPMA-ZWKOTPCHSA-N 438.594 1.646 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1748809112 QHCPSFXRQYXLLY-FQEVSTJZSA-N 449.540 1.649 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748818205 XIMVTXNKMWIBIN-QZTJIDSGSA-N 438.594 1.689 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(N2CCCCC2)c1 1748961019 UYTLCSULNMFSBX-IBGZPJMESA-N 437.548 1.749 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749020118 MCWSWDCEPOVSJN-NRFANRHFSA-N 432.594 1.182 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749115434 QAEQOPQTHUJMIM-CHWSQXEVSA-N 434.360 1.556 30 10 IDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCS(C)(=O)=O)CC1 1749297584 HCPBRXQTDHFMIW-UHFFFAOYSA-N 428.518 1.393 30 10 IDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749457803 QYMTWLRFZPZWIB-UHFFFAOYSA-N 446.596 1.730 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749656052 YZDFVAZPKQGIRD-SFHVURJKSA-N 440.548 1.414 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749663455 FXZQGZUTRVZZFU-LJQANCHMSA-N 448.531 1.538 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 1749663962 CJONKZCUGVXMED-UHFFFAOYSA-N 425.537 1.191 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2)C1 1749731259 ABIFKRYJQZRNNK-ROUUACIJSA-N 445.545 1.408 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1749733717 AIXUVPXVMCWLPX-BRWVUGGUSA-N 444.623 1.796 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC=CCO2)CCO1 1750386728 MIDOQDYXWIJEOO-ROUUACIJSA-N 442.907 1.935 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)NCC(F)F)c1 1760126392 XJTARWMVDKPBJL-UHFFFAOYSA-N 441.442 1.711 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1760190615 XXAPYKNOGAFHTO-HNNXBMFYSA-N 443.558 1.483 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccn(C)n1 1760244883 KGZHJODMEHVPJT-UHFFFAOYSA-N 428.518 1.216 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1760248636 PDFGBIYZQKMUAG-IAGOWNOFSA-N 448.568 1.865 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCO[C@H](C)C2)CC1 1760262448 ONZUNBKEDXYOFE-OAQYLSRUSA-N 437.592 1.520 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760444883 UDSVCDKEXKUCAD-HSZRJFAPSA-N 446.596 1.641 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N(C)C(C)=O)CC1 1760517089 BTQPWXVTODCGJQ-UHFFFAOYSA-N 441.492 1.603 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760551569 KLYDYJOGKPFFAK-OAHLLOKOSA-N 442.563 1.461 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1760707319 MCDFNOPIYNYZCQ-KBPBESRZSA-N 434.522 1.171 30 10 IDEE Cc1occc1CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1761615711 UHVRRCLMGAHKQB-HTXNQAPBSA-N 441.492 1.481 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCCO2)C1 1770727430 MGXLHCSFSLQFJW-HRAATJIYSA-N 443.483 1.953 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(Cn4cncn4)CC3)n2CCOCCCO)c1 1770748979 WJPYAQMAQAZQLN-UHFFFAOYSA-N 436.520 1.724 30 10 IDEE COCCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1771019585 ZMFQEYVEZQJBOK-QGZVFWFLSA-N 440.570 1.168 30 10 IDEE N#CC1CCN([C@@H]2CCCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1855609970 PFRDNWLQYJXXPQ-IEBWSBKVSA-N 436.578 1.334 30 10 IDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1870144242 UKFYIBNGPJDFHO-UHFFFAOYSA-N 443.423 1.722 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870499925 XRLFGTRXYRAUGM-UHFFFAOYSA-N 440.500 1.786 30 10 IDEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCN(CCO)CC1 1870558048 RCJQFBSSAVJRTG-UHFFFAOYSA-N 431.489 1.103 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 1872720005 JNTMBUMKACNIPA-UHFFFAOYSA-N 435.527 1.739 30 10 IDEE C=CCNC(=O)c1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc2n1C 1873566408 IUMCMEZFXRHALU-UHFFFAOYSA-N 434.500 1.935 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2010027043 BHSYZCRHDIHIMJ-QKKBWIMNSA-N 439.509 1.874 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124531189 BVGNYCQGCYYCDE-OAQYLSRUSA-N 448.329 1.334 30 10 IDEE COC(=O)[C@H](CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)NC(=O)OC(C)(C)C 2141670256 MADGZXIZFHXEKB-AWEZNQCLSA-N 449.313 1.776 30 10 IDEE COCCN1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CC1 2143517101 RKOKESBPAWDFDO-UHFFFAOYSA-N 426.164 1.912 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2244281430 WYEQJCHCROEGGC-AWEZNQCLSA-N 431.530 1.210 30 10 IDEE CN(CCN(C)C(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404212 LEBRBSVUDUOPGG-UHFFFAOYSA-N 441.363 1.590 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H](C(=O)O)C1 2254791522 HBBKSXKWXDAHPO-OAHLLOKOSA-N 433.314 1.891 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255606198 RDFMQLRTLABJHZ-QWHCGFSZSA-N 435.334 1.242 30 10 IDEE CCn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653088 DTQULIFFTOVWJD-CQSZACIVSA-N 434.346 1.941 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255658102 YRKGTSURMZYWCU-UONOGXRCSA-N 434.346 1.610 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2255672459 HVCBCQLBBJWPQC-OLZOCXBDSA-N 435.334 1.290 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(NC(=O)C(F)(F)F)C1 2255740049 UJOWWKBVLKRTLO-UHFFFAOYSA-N 448.272 1.346 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2255836725 DBXRCTALOCDNPW-WDEREUQCSA-N 447.288 1.971 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267113515 UZHIJNQUFUOLPH-UONOGXRCSA-N 449.361 1.490 30 10 IDEE Cn1cc(C(=O)NC2CC3(C2)C[C@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267171656 NOWAUCDZLGCHFC-WOWRSWPSSA-N 446.357 1.895 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1 2267194565 FEIHVXIDOBLYEN-UHFFFAOYSA-N 442.243 1.745 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(c2ccc([N+](=O)[O-])c(B3OC(C)(C)C(C)(C)O3)c2)C1 2267769700 IYFPGYWXJKIMHZ-UHFFFAOYSA-N 449.313 1.970 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2268668661 HLKRBWGQGISRGS-HOCLYGCPSA-N 447.341 1.937 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269082033 GJUQZSPOCYGZSN-WMLDXEAASA-N 443.309 1.508 30 10 IDEE C=CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCNCC1 2286030706 DOPWEPXSLMMPJO-QGZVFWFLSA-N 439.534 1.072 30 10 IDEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=CC(=O)O)cc1 2325751702 HXUFHJJGSNEGRT-UHFFFAOYSA-N 428.426 1.326 30 10 IDEE Cc1c(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2334270320 AACWXQXVPFPEDF-FMKPAKJESA-N 446.357 1.765 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2334270806 SKTKRHFUVIAPGM-VNQPRFMTSA-N 444.341 1.904 30 10 IDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2367820287 QPYUFGDVFNVIHZ-GSVIPDFHSA-N 434.558 1.755 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)CC1 27559780 FKBUZQWANMHHLM-FQEVSTJZSA-N 430.549 1.287 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 28998299 AFVFQJDUXSJIJM-HNNXBMFYSA-N 444.469 1.767 30 10 IDEE N#Cc1cccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)cs2)c1 65097558 RIFRSANUNAVIHQ-UHFFFAOYSA-N 445.482 1.943 30 10 IDEE O=S(=O)(c1ccc(N2CCOCC2)c(N=Cc2cccc(O)c2O)c1)N1CCOCC1 254480499 UIMGBVQFUVYDKP-UHFFFAOYSA-N 447.513 1.706 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCC3(CC#N)CC3)CC2=O)cc1 431155227 DAMMSPCVUGBYGG-INIZCTEOSA-N 432.546 1.880 30 10 IDEE N#Cc1ccc(Oc2ccc(-c3nc(CC(=O)N4CCS(=O)(=O)CC4)no3)cc2)nc1 445550915 QVTGCAAWBJSNOX-UHFFFAOYSA-N 439.453 1.595 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)cc1 478742453 FEYVDWRIFXBCCU-RTBURBONSA-N 438.549 1.896 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@@H]1CCCO1 505701346 WZTRNNZMHVZLST-SFHVURJKSA-N 449.532 1.960 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C)(C#N)CC3)CC2)c1 506052721 XWSMCXLSWXYEPG-UHFFFAOYSA-N 432.546 1.348 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNC2(CO)Cc3ccccc3C2)CC1 512314988 QUWVFYKUQDCYBH-UHFFFAOYSA-N 447.495 1.574 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3ccccc3o2)CC1 581303333 RVYSFEOCAHCWBA-CQSZACIVSA-N 431.522 1.542 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc(-n3nnnc3C)cc2)nc1C 586322974 HRKUDZMTSPLSQY-UHFFFAOYSA-N 442.457 1.874 30 10 IDEE CN(C)CC1CCC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 586871284 XFJUOPVDPOAYJC-UHFFFAOYSA-N 428.537 1.309 30 10 IDEE Cc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C 609986413 SCHQBFJTLCITFK-CQSZACIVSA-N 442.273 1.698 30 10 IDEE CN(C)CCn1cc(NC(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cn1 611264511 BUNCDRSQJLPKGQ-UHFFFAOYSA-N 425.493 1.156 30 10 IDEE COC(=O)[C@H](OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(C#N)cc1 740216351 WUTUDHKUMRPKAF-LJQANCHMSA-N 443.481 1.811 30 10 IDEE CC[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H](c1ccc(C)cc1)n1cncn1 756684125 FWVJWFONKPFWTG-NCJRZWPZSA-N 437.504 1.780 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccn(C)n2)C1=O 765544384 OVOUVDFLQVANBI-GOSISDBHSA-N 439.545 1.491 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\CCCN(C)c2ccccc2)N(Cc2ccn(C)n2)C1=O 765549565 ZVDYGFZUAGUHRU-GLEDVZQVSA-N 428.562 1.883 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1COc2ccccc2O1 766572104 GZLVCNUXRGKPBF-OAHLLOKOSA-N 429.498 1.852 30 10 IDEE C[C@@H]1Cc2cc(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)ccc2N1S(C)(=O)=O 780205384 MDKVHVSYRDILMB-XCLFUZPHSA-N 428.466 1.728 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 781019479 JGQGEZKREXAIBP-XZOQPEGZSA-N 432.524 1.927 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 809909556 FIDKEUNCFCIDJT-HNNXBMFYSA-N 436.513 1.661 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C[C@H]3CCCO3)c2=O)cn1 837851416 VUHKUMUWQLCSFZ-QGZVFWFLSA-N 438.484 1.347 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 916178163 LVOUCNRHABBFKI-UHFFFAOYSA-N 447.538 1.993 30 10 IDEE N#Cc1c(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)nc2n1CCOC2 1135005948 NCTJWBUPBIUEHQ-UHFFFAOYSA-N 439.291 1.850 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1157817849 JTJAUJBWENKUTE-IKGGRYGDSA-N 425.407 1.666 30 10 IDEE C#CCN(C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)C1CSC1 1214226252 LNKFQCCKHYTOKG-UHFFFAOYSA-N 439.559 1.689 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1233928323 OULHOJDWNZKIOB-CYBMUJFWSA-N 426.315 1.508 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1286273282 DHMBJBSHUYJONJ-VGSWGCGISA-N 427.553 1.949 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1286294934 GUNFYYGTLGQDGI-LSDHHAIUSA-N 441.554 1.089 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1286387949 JEVRTILSLGVRBH-DLBZAZTESA-N 446.529 1.726 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1286394978 QJCJPMCGCXWTSM-RTBURBONSA-N 444.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CCc2ccccc2)C1 1286407519 KWIZNJYWPOCLCA-VXKWHMMOSA-N 430.556 1.867 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1286432799 YJVPWVLBIIDIRG-UHFFFAOYSA-N 426.565 1.099 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1286484951 RLJLNEHLLKPDCB-QZTJIDSGSA-N 442.589 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2)CC1 1286490227 OAXSWGDFWCDVHH-XMMPIXPASA-N 445.527 1.609 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2c[nH]nc2C)CC1 1286493236 MLLLMDWNPMGMNE-HXUWFJFHSA-N 439.564 1.802 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286783750 KOHVALCMXUMFHP-AWEZNQCLSA-N 449.533 1.235 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2[nH]1 1286787652 HTTJTPXYQZOHGR-MRXNPFEDSA-N 442.545 1.600 30 10 IDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286833457 DKAATIUOWYPDSZ-UHFFFAOYSA-N 429.594 1.393 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCn2ccnc21 1288817624 PPIHZJUPJROHQE-CVEARBPZSA-N 446.581 1.792 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1[N+](=O)[O-] 1290051919 GTOBKLMVOZVIRU-AVYPCKFXSA-N 448.501 1.766 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1298101556 FYWHPDBXBSPGGV-IBGZPJMESA-N 431.497 1.760 30 10 IDEE CCCN1C[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1299563620 MQXNTSMWZHKNOC-MRXNPFEDSA-N 434.562 1.660 30 10 IDEE CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1300416548 OGNYCBNEDAOFDN-LJQANCHMSA-N 425.489 1.954 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1300488583 SUOGIHRFGVQZPP-QGZVFWFLSA-N 446.483 1.632 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCC)CCC1)[C@H]1CCS(=O)(=O)C1 1300494272 ZRLGXQXJCUCZKU-DLBZAZTESA-N 433.578 1.826 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1300539038 WWVBQQKTXFCKFG-MRXNPFEDSA-N 435.550 1.168 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCO2)CC1 1300731666 GIRGRRJJYVDCMX-OTWHNJEPSA-N 431.537 1.147 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1 1300764480 WQVODLYVUMYMRZ-QAPCUYQASA-N 427.530 1.859 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCS(=O)(=O)CC 1300889050 ANBHSAFTIWIDBY-VQIMIIECSA-N 439.582 1.253 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1301229078 GKTUHJBMROTGBX-UHFFFAOYSA-N 426.525 1.492 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1301652637 NISIHKUBIHYDNF-XXBNENTESA-N 438.532 1.927 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1302080379 UWMWAEFAZBFUQF-UHFFFAOYSA-N 439.520 1.360 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1302427410 HTGBWKSHGWUHBO-QZTJIDSGSA-N 442.545 1.499 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1303302087 BGRMIYVCDAPPQK-NRFANRHFSA-N 427.528 1.941 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1304908356 AAJHXNGTAOVBTN-LHEBDHONSA-N 442.545 1.307 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1309761056 KBJUCPAEZJIDTB-UONOGXRCSA-N 440.946 1.616 30 10 IDEE COC(=O)C1CC2(C1)CN(C(=O)NCC1(C#N)CCOCC1)C[C@H]2C(=O)OC(C)(C)C 1313405519 NTZGDCZNJNORBS-BXFSZVDSSA-N 435.521 1.859 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1313995838 GXZZBXKPBBZKBI-UHFFFAOYSA-N 433.520 1.873 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1315021275 UDIBGRBTQVYBHD-QHCPKHFHSA-N 435.532 1.648 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)C1 1316242294 ROYJJEWGFLNFBM-IBGZPJMESA-N 427.505 1.600 30 10 IDEE COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1C#N 1348832572 XPEBBKGWIBCOKZ-UHFFFAOYSA-N 431.470 1.849 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2nc3ncccn3n2)c1 1354585794 AJTCLFUPMINGIW-JLPGSUDCSA-N 427.490 1.970 30 10 IDEE COC(=O)c1ccc(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1 1354740818 JVSMOARMGNBQLS-NKFKGCMQSA-N 430.486 1.862 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1358890053 KIGGYMRASAKQKP-PXNSSMCTSA-N 438.557 1.931 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NC2CCCCC2)CC1 1359044058 SZBWQYFTGTXRON-UHFFFAOYSA-N 437.548 1.688 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359292107 IKRVXUSPFINTMF-YQQAZPJKSA-N 442.495 1.574 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359303693 XUYMUMKEHXQBBQ-UHFFFAOYSA-N 445.593 1.863 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN2CCN(C(C)=O)CC2)C1 1359317748 PJIUJVMNGAJBDL-IBGZPJMESA-N 425.537 1.286 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1360699743 WDLMAZKNPMKASB-HNNXBMFYSA-N 448.549 1.798 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnn(C[C@H](O)CO)c2)c1 1441736941 MDUMVEKTQJCBOH-BUVGWWEQSA-N 449.533 1.082 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1452478646 YITRMCAKZPSXCR-PBHICJAKSA-N 446.978 1.293 30 10 IDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OCC 1455240622 COOMNBKOYLPHOB-SNVBAGLBSA-N 439.353 1.803 30 10 IDEE Cn1cc(Br)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1=O 1457536205 SPYWGWXPYIEDLV-NSHDSACASA-N 425.283 1.733 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1 1470583912 LOCHPJMVSNVRMN-UHFFFAOYSA-N 440.529 1.833 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)[C@H](C)O)cc1 1470623974 RBYJWDIVXUGDEV-YWZLYKJASA-N 428.514 1.217 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)c(=O)nc1O 1470994838 HNZMFOAMPVMOKR-NWANDNLSSA-N 430.262 1.221 30 10 IDEE COc1ccc([C@H](NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)C2CC2)cc1 1473034451 GMYFRWNYKDYKIW-HSZRJFAPSA-N 436.512 1.828 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@H](CCC)CC3)CC1 1476492019 VFNRKDQDFGWMRW-CQSZACIVSA-N 425.580 1.665 30 10 IDEE CC#CC[C@@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1479052660 ICNCEUKUNYMGRG-KRWDZBQOSA-N 442.520 1.866 30 10 IDEE C[C@@H]1CC[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493429717 LVNWHXQMJWWTKK-BUNKOAGESA-N 441.536 1.552 30 10 IDEE CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1501340698 RNRKHNOVKQFIHS-HNNXBMFYSA-N 448.549 1.593 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1502046856 AFYPBTFUXXHVII-ZDUSSCGKSA-N 432.510 1.161 30 10 IDEE CN(Cc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1503494442 IUCUZJNGIBHCQT-KRWDZBQOSA-N 446.489 1.353 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1507634741 MCKPKXHXEZHEFA-KRWDZBQOSA-N 444.586 1.647 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(=O)N(C)C2CCCCC2)CC1 1507723974 BOYFGOINDOBWSE-UHFFFAOYSA-N 435.576 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 1507739516 QSVPSDAZDVLPNJ-UHFFFAOYSA-N 437.548 1.375 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1507754614 XZCLEMZIRSLCSZ-IBGZPJMESA-N 438.557 1.616 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC)C1 1507791583 NLOADUJGEQWBRS-KKUMJFAQSA-N 442.358 1.873 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1507829776 LCYPRYJGVCCHDA-KRWDZBQOSA-N 426.525 1.185 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1507955130 VOHPALLNHMAXRM-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1508094421 NKDMDZVEFJFIHW-UHFFFAOYSA-N 442.520 1.227 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C)c(C)s2)C1 1508114168 JVVGKNBITHPHQE-HIFRSBDPSA-N 440.595 1.791 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1508729314 FUPPMZGIYKQGER-UHFFFAOYSA-N 440.548 1.801 30 10 IDEE CC(C)C(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1508802683 OQALPQUZNUKEEG-IBGZPJMESA-N 426.521 1.791 30 10 IDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1512544484 CVENLEICFUPXLA-MRXNPFEDSA-N 445.545 1.779 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1515122376 MZWGTWNPPFBIAO-IAGOWNOFSA-N 440.460 1.369 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1519067699 SLYXPLKYLBWFRK-QGZVFWFLSA-N 437.548 1.642 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1539006429 YKKCXZJTFSDBJN-KBPBESRZSA-N 426.502 1.487 30 10 IDEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539103116 ODDHGQGUCCGYKV-UHFFFAOYSA-N 434.544 1.848 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539231269 UKGQINDGAIOTQW-IBGZPJMESA-N 430.574 1.851 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCOC[C@H]2OC)CC1 1539453397 JUWFUKRSUZQKGY-IFMALSPDSA-N 439.560 1.684 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1539791116 REFQKBYRVLDJNL-UHFFFAOYSA-N 432.956 1.891 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1539802441 YBVHAFZJJTWLAZ-INIZCTEOSA-N 426.949 1.157 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C2CC2)ccc1F 1541945365 FYYZXWKSSHVKNS-SUMWQHHRSA-N 448.524 1.682 30 10 IDEE CC1(C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1542011333 XYQARAJINKSABE-FMQUCBEESA-N 437.504 1.406 30 10 IDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)COC 1548371062 JMSIVUQFUHRBIE-MRXNPFEDSA-N 428.411 1.003 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1552885501 HYDVKNUNWXQKTC-UHFFFAOYSA-N 427.490 1.259 30 10 IDEE COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1555439981 HYTRLSANJDLYFY-JKSUJKDBSA-N 440.570 1.024 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C3CCCC3)n2CC(=O)NCC(F)F)CC1 1555991492 VKCBFUJGOFVCQK-UHFFFAOYSA-N 444.490 1.910 30 10 IDEE COCCN(CC#N)C(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1556908106 ITSQYYKFKYFUHA-MRXNPFEDSA-N 445.545 1.543 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccccc1Br)c1cc[nH]n1 1570317805 YRSUNDOKYCPRID-CQSZACIVSA-N 439.266 1.306 30 10 IDEE COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585138803 MXBZVZCIHCKDNQ-SJCJKPOMSA-N 425.488 1.344 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 1587718325 CLJORNRYDRRMSR-IBGZPJMESA-N 443.573 1.673 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1588128120 CUELXGHBVZLRKL-OAHLLOKOSA-N 429.502 1.046 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)[C@@H](C)CC)CC1 1588884911 OPKOGXVIBIHZKL-AOMKIAJQSA-N 432.569 1.179 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(N)=O)CC1 1589482192 HGFWLFPPTZAUCI-SJLPKXTDSA-N 432.569 1.879 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589567580 FQHBIYGEKYYTOH-LQWHRVPQSA-N 446.596 1.585 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594449435 YNTOTTCFEAPRQR-INIZCTEOSA-N 438.598 1.587 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)NC(C)C 1595537209 NTACOVHHDHJEMU-UHFFFAOYSA-N 437.504 1.863 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](CNC(C)=O)C1 1595569276 DHLRKOMGUKBKCC-LJQANCHMSA-N 449.559 1.936 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOCC3(CC3)C2)nnc1[C@]1(OCC)CCOC1 1595831322 PDKNQQYRYPZVTM-FQEVSTJZSA-N 440.566 1.148 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCCC1 1611664511 GHKIYVFNBZARCJ-QGZVFWFLSA-N 445.593 1.882 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1613434546 RUWQFJQXCGTEDB-YQVWRLOYSA-N 429.569 1.653 30 10 IDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCS(N)(=O)=O)C[C@H]1C)C2=O 1615243574 GUPIXKIELZCNGO-DYBLOJMWSA-N 444.893 1.042 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)c1OC 1616488143 MRHZYOLBEMKJFL-SUMWQHHRSA-N 433.486 1.358 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1619927285 DEXKNAJYPFRBIC-ZBFHGGJFSA-N 445.911 1.217 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1620638115 RFFRRLUGWFOKRQ-MOPGFXCFSA-N 447.557 1.715 30 10 IDEE COCCOc1ccc(-n2nc(C)c(C(=O)NCc3ccc(C(=O)NO)cc3)n2)cc1 1626239505 QHGGDSMUWGNCNQ-UHFFFAOYSA-N 425.445 1.650 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 1632493240 IKVAPRLSBROEDU-INIZCTEOSA-N 427.482 1.142 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1633493473 LSSSEZBGISFWRA-UHFFFAOYSA-N 428.514 1.898 30 10 IDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1633766139 ATAZGOQCEJYXBF-MGPUTAFESA-N 440.525 1.512 30 10 IDEE CCC1(N2CCOCC2)CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1648346277 BOGCDGYTMOVSPB-QGZVFWFLSA-N 448.589 1.607 30 10 IDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1)OC 1649570062 APXWEXZKIXGGRR-KRWDZBQOSA-N 427.509 1.615 30 10 IDEE N#CC1(C[C@H](O)CN2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CCC1 1655061596 VMLUYRPPEGDDNC-QFIPXVFZSA-N 425.577 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 1660468778 FZCJCRGHHAIYLJ-SJORKVTESA-N 436.490 1.685 30 10 IDEE C#CC1(O)CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1666460395 DHRXGRBGUIVOQV-UHFFFAOYSA-N 437.518 1.098 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(Br)cc1 1674025833 NGUNYBIZFTTYMW-GOSISDBHSA-N 449.349 1.309 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCCS(C)(=O)=O 1689839842 NHIOXPXTXZWMME-MRXNPFEDSA-N 442.549 1.594 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1689849547 NEWUATWHMGNTED-IXFSTUDKSA-N 446.596 1.917 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1689998366 KHXAXNRGOPZVQO-RCCFBDPRSA-N 438.594 1.860 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1690177402 UOAHYUWBIRQJDY-MRXNPFEDSA-N 449.527 1.855 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690218665 OAZOIEBXOWQQTN-NWDGAFQWSA-N 449.265 1.948 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1691005964 GZWCBCLFDTYVDI-MRXNPFEDSA-N 439.545 1.750 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1695008550 ADVNWVKXHAGXMD-IBGZPJMESA-N 433.520 1.994 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1697567837 MKBJIUBKPFGYFZ-AYAKEVCGSA-N 438.488 1.705 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NCCOC)CC1 1705751515 OLCUNNJEUKEMOQ-UHFFFAOYSA-N 448.955 1.591 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705894639 GGUYCXMYAXSQJZ-PKOBYXMFSA-N 431.585 1.083 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)C1 1705922237 IZJRRFSETDJTAX-MSOLQXFVSA-N 432.569 1.246 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCCO 1706620968 BLJYCFVZDNJYKJ-UHFFFAOYSA-N 426.525 1.172 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1706751203 HWMKLVIWJDMXJE-KFWWJZLASA-N 429.529 1.964 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1709017660 SDQOKNPMPULZFX-XXHMAFKTSA-N 447.515 1.797 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccnc1OCCOC 1709141932 KOTYJBADJUPCEM-UHFFFAOYSA-N 448.531 1.902 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1709840201 JBRDSUINFJWXHD-FXAWDEMLSA-N 437.548 1.500 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCOCC2)CCOC1 1710456459 BIZBVUMZGLQYKI-NHCUHLMSSA-N 436.532 1.485 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712266442 LKGRBSZFNVNFJR-YGCDDZCOSA-N 437.504 1.648 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCOC[C@H]2OC)c1 1722307397 NBRBUXINURLLJU-UYAOXDASSA-N 441.532 1.922 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722334978 NTHFLZWOBUYEPA-LJQANCHMSA-N 428.562 1.682 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](N2CCCC2=O)C1 1722337532 CUNGEJPJTALSSK-INIZCTEOSA-N 426.546 1.884 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1722371311 VGLWETHOBBANOI-LJQANCHMSA-N 446.573 1.717 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1722373829 RIGBKSHQAPOLRY-KRWDZBQOSA-N 442.545 1.217 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722495186 WBZMFLAGQOAIJO-OKZBNKHCSA-N 446.552 1.772 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722535412 HSRRMOPSTQOKDW-GOSISDBHSA-N 436.582 1.746 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(COC)CCOCC2)CC1 1722560440 ZVBQUFPNVUSRHY-MRXNPFEDSA-N 427.571 1.488 30 10 IDEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722606222 IACNUIQDFDHAPK-SFHVURJKSA-N 438.532 1.669 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(C)(=O)=O 1722671115 JJTIEHDFMKOOKP-UHFFFAOYSA-N 429.506 1.322 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722702787 REVGYCXEEXEKRW-HOTGVXAUSA-N 443.577 1.245 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722705826 IKLRFFWTHXMFQZ-HOTGVXAUSA-N 431.424 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1722723988 KBWQGPHXVZHAKW-UHFFFAOYSA-N 449.552 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(CC)C1 1722724131 OKESGWXNJRDNRJ-WMLDXEAASA-N 433.600 1.116 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)O1 1726670165 CTAMWCFICWAMEJ-GPMSIDNRSA-N 444.561 1.854 30 10 IDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)N(C)C 1727602377 COBLULNELMWTTA-UHFFFAOYSA-N 435.529 1.069 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN(C)C1CCCC1 1729541552 AWGRWNPTZNPODU-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCN1CCCS1(=O)=O 1730282997 DIWRPNVHAMACBQ-MRXNPFEDSA-N 432.550 1.509 30 10 IDEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1731148438 HOILOPNHAKXKFW-JLTOFOAXSA-N 435.504 1.756 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCCC2)CCO1 1731185668 BKGONKAHHXPGDW-INIZCTEOSA-N 425.493 1.739 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740566684 JEMNQGAVGLUMQH-IERDGZPVSA-N 449.552 1.929 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1740625357 NKNXIOWSXOKHHW-IBGZPJMESA-N 431.562 1.706 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1740688788 JPCCZNVDJWKBOX-WOJBJXKFSA-N 428.581 1.721 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(CC)c2)CC1 1740693073 SOUJXIXDUTZEGH-QFIPXVFZSA-N 427.553 1.339 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1740757720 RESKZLOXMDQZHU-NSHGMRRFSA-N 430.553 1.563 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740988161 VNPKDGDCEOJCIX-FUHWJXTLSA-N 436.534 1.832 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(C(C)=O)CC1 1740990064 HNNDWRRHAHYALH-UHFFFAOYSA-N 432.550 1.308 30 10 IDEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742325379 WZCMLFDGAMCMSR-UITZCYDRSA-N 436.451 1.617 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1748659360 GHCXCJWLFOEARL-AWEZNQCLSA-N 432.481 1.650 30 10 IDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2C[C@H]3COC[C@H]3N2C(=O)OC(C)(C)C)CC1 1748992931 KOYZIEYMWZSNTH-GBESFXJTSA-N 444.580 1.620 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1748993359 WFHKYVILZBQKOU-SFHVURJKSA-N 431.537 1.198 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCN(C)C(C)C)CC1 1748994677 MUBRNNRGPXKALU-UHFFFAOYSA-N 443.621 1.755 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749272292 OXTDYOTZLZXFSI-UHFFFAOYSA-N 443.939 1.287 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1749484925 KWFFOYPPDMIAOV-UHFFFAOYSA-N 437.548 1.661 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749660019 MDQYYWDWBYARJM-SFHVURJKSA-N 440.548 1.414 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1749672246 UPORNUNWKIOADB-UHFFFAOYSA-N 430.459 1.260 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)[C@H]1C 1749677974 QWAXYSZYKRTKIA-CQSZACIVSA-N 432.550 1.576 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749764831 CKVIVAXDJRGPKB-UXHICEINSA-N 437.548 1.500 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750389519 ANSJRUFJITUFSI-QURGRASLSA-N 446.515 1.920 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cnnn1 1760172558 SUEMLAYHLLGBHG-UHFFFAOYSA-N 429.529 1.539 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)OC)CC1 1760265593 FMIKBPCUXJSHCW-HTAPYJJXSA-N 433.553 1.319 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(F)F)CC1 1760389186 FNZXDCSHBSADGA-CQSZACIVSA-N 435.497 1.397 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N2CCOCC2)CC1 1760397281 PYBFACPNSXUBTH-QHCPKHFHSA-N 447.580 1.970 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CS(C)(=O)=O)CC2)CC1 1760402073 TXRJHHVAWHFPBL-INIZCTEOSA-N 442.607 1.407 30 10 IDEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760411646 PMVIRBVWKSLNKX-UHFFFAOYSA-N 442.568 1.615 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1760481286 SBVUGAKLTQMBEC-LJQANCHMSA-N 431.500 1.964 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCC(=O)N1CCOCC1 1768906691 AESLAJYUAUSMFW-QGZVFWFLSA-N 426.521 1.722 30 10 IDEE COCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1771055672 WPFDARLYJZGDOS-NRFANRHFSA-N 439.564 1.408 30 10 IDEE COc1ccccc1N1C[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC1=O 1851581279 SAUDYVSDBLQPFL-IBGZPJMESA-N 449.511 1.680 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C(F)(F)F)C2)CC1=O 1856788375 YQMVXLFFBCZFRK-QWHCGFSZSA-N 448.419 1.588 30 10 IDEE Cn1ccc2cc(C(=O)N3C[C@@H](C4CCN(S(=O)(=O)CC#N)CC4)CC3=O)ccc21 1857042089 RPPCRAFANDPBNM-SFHVURJKSA-N 428.514 1.732 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2N)CCN1Cc1ccccc1 1914860412 FDQXQEMIVYXQQQ-HNNXBMFYSA-N 436.335 1.825 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2243415959 GGAMBICIATUKBE-QWHCGFSZSA-N 444.384 1.991 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247907966 LJPZUCKMUVCNOP-STQMWFEESA-N 439.343 1.464 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627647 WOFJIQDCZJHBGH-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255655751 QMSIXHZBZHRTDQ-UKRRQHHQSA-N 434.346 1.752 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2255823489 VJHXGQRWRMUQFN-KGLIPLIRSA-N 434.346 1.610 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256017670 SQJWXWGGKCGUBJ-CQSZACIVSA-N 436.314 1.307 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2256063845 PSMYPDCCNLMORJ-KRWDZBQOSA-N 428.220 1.059 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256067825 UESGIJURQXOHGW-CQSZACIVSA-N 430.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 2266062365 TUNJRUBDTFRAMZ-UHFFFAOYSA-N 446.357 1.872 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCC[C@H]3CN(Cc4ccccc4)CCO3)[nH]n2)OC1(C)C 2267141323 JAUBYTXCMPOMSP-SFHVURJKSA-N 440.353 1.730 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CC[C@H]3[C@@H](NC(=O)C(F)(F)F)C4)[nH]n2)OC1(C)C 2267145873 JEPHSQXYLPNGPF-GVXVVHGQSA-N 442.247 1.381 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C 2267260221 LAHCFHUATITACS-UHFFFAOYSA-N 445.329 1.746 30 10 IDEE Cc1nc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCOC2)ncc1B1OC(C)(C)C(C)(C)O1 2268654753 DEBGQDSMZNIMDL-NRFANRHFSA-N 448.329 1.707 30 10 IDEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccco1 2296136227 VYWUMZDDXLOMOV-SFHVURJKSA-N 427.413 1.942 30 10 IDEE COc1cccc(C=C2Oc3cc(OCC(=O)N4C[C@@H](O)C[C@H]4C(=O)O)ccc3C2=O)c1 2297475454 UYFWMFUZOVXVQT-KSSFIOAISA-N 439.420 1.737 30 10 IDEE C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 15545641 ZMMVLZXTESQBAF-INIZCTEOSA-N 430.505 1.881 30 10 IDEE COc1cc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)cc(OC)c1 21324924 ARDHJYFDGWPOBU-FSJBWODESA-N 442.505 1.971 30 10 IDEE CCN(CC)C(=O)CN1C(=O)/C(=N\NS(=O)(=O)c2ccc(F)cc2)c2ccccc21 59147752 CPDVGQJVVSHYKQ-QOCHGBHMSA-N 432.477 1.723 30 10 IDEE N#Cc1cccc(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)c1 440130332 YJVPWPWVAKBPKT-LJQANCHMSA-N 441.509 1.808 30 10 IDEE COC(=O)CC1(NC(=O)CCCOc2ccc(C#N)cc2OC)CCS(=O)(=O)CC1 474455106 JKUZSMUZOTXAHM-UHFFFAOYSA-N 438.502 1.353 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475322754 RXAHMOPLTQMRIS-FQEVSTJZSA-N 430.461 1.725 30 10 IDEE Cc1ccncc1N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 500676621 FOGSTHAVZGJRKG-IBGZPJMESA-N 432.484 1.816 30 10 IDEE Cn1c(N2CCC[C@@H]2c2ccccc2I)c(C#N)c(=O)n(C)c1=O 505775460 CQDPSESMACLDFN-CQSZACIVSA-N 436.253 1.902 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 508498118 PNFAYIAHSZWLOR-KRWDZBQOSA-N 425.555 1.192 30 10 IDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c(C#N)c2N)cc1 530968598 RSQPATFXQWTHRB-HZPDHXFCSA-N 432.550 1.511 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H]2CCCO2)n1 549480126 FPXJGGGWCZRZJU-HXUWFJFHSA-N 447.547 1.912 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2)CC1 549694792 WAZSZVQFSNIVQC-SFHVURJKSA-N 433.534 1.453 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCCO3)CC2)n1 571451802 AZACIFOBJRVLLY-MOPGFXCFSA-N 439.520 1.528 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)cc2)c(=O)n1C[C@@H]1CCCO1 590914015 MHCHMRVNWIDGKE-SFHVURJKSA-N 441.553 1.517 30 10 IDEE CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 603798870 OZALMTKLCPALAS-IBGZPJMESA-N 437.565 1.994 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604000750 AINQOKXTMHJSED-MRXNPFEDSA-N 444.516 1.425 30 10 IDEE CCCC(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608931902 YIWBUBOOCGNQGO-INIZCTEOSA-N 436.559 1.093 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(F)c1 609255947 ORICWFUXCIDNGV-UHFFFAOYSA-N 430.461 1.187 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCCSC 619175189 GIEOSGKQMJAHOH-UHFFFAOYSA-N 439.566 1.098 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 725907182 SHRGUDGEDALUQM-UHFFFAOYSA-N 449.330 1.931 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CCOC 730250787 BSDDRHGUCCCKNY-ZDUSSCGKSA-N 445.497 1.591 30 10 IDEE C#CCOc1cccc(NC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1 731110202 LDJGZNMPRSRTGZ-UHFFFAOYSA-N 428.514 1.961 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 731862550 GXNDFRJZZMAJSK-JFLJVCDGSA-N 447.289 1.445 30 10 IDEE COc1ccc(C(=O)C2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732465550 HLVRIYMLEDTTRE-VZCXRCSSSA-N 426.473 1.826 30 10 IDEE C#CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 733163363 LQKGOAVCIPZTQG-QGZVFWFLSA-N 440.363 1.380 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 734560619 ZJJDVMLGXZMFCT-IBGZPJMESA-N 443.481 1.271 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1CCCSC 735067935 BMLNTHUCTPHYNN-UHFFFAOYSA-N 433.603 1.299 30 10 IDEE CN(CCCC(=O)NCCOc1ccc(C#N)cc1)C1=NS(=O)(=O)c2ccccc21 741972319 SOXSZGPNHPQRPL-UHFFFAOYSA-N 426.498 1.914 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2C1=O 745294786 QFPGVOJZWHHDMI-UHFFFAOYSA-N 430.438 1.605 30 10 IDEE Cc1cc(C#N)ccc1C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 748845729 LLIRSECWGJPABP-UHFFFAOYSA-N 427.482 1.803 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C#N)c2=O)c[nH]1 753359427 RWLSQNUCPVDHHE-UHFFFAOYSA-N 446.488 1.614 30 10 IDEE COC(=O)[C@H](OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(C#N)c1 755188230 VHVNGMIRNIJQGH-SJLPKXTDSA-N 445.472 1.831 30 10 IDEE N#Cc1cccc(N2CCN(Cn3nc(N4CCOCC4)n(C4CC4)c3=S)CC2)n1 760552852 TUBANNVHAYSHSO-UHFFFAOYSA-N 426.550 1.632 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC(F)(F)F)c(=O)n1Cc1ccon1 765146818 XENSRYKWJOFCCZ-UHFFFAOYSA-N 432.383 1.914 30 10 IDEE C#CCN(C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 774043816 NUZFAJRABSTARQ-MRXNPFEDSA-N 425.532 1.189 30 10 IDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 783134248 OYACTCRCSFKRQK-UHFFFAOYSA-N 429.539 1.932 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccnn1-c1ccc(Br)cn1 790578245 ABSIWDPYSYEQTP-FOCLMDBBSA-N 446.265 1.678 30 10 IDEE C=CC[C@]1(C(=O)NS(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 802160375 WZXGLQNVDZJFMK-IQUTYRLHSA-N 432.539 1.976 30 10 IDEE C=CC[C@]1(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 805482123 BNCNXSGUWQWBNH-OXQOHEQNSA-N 444.598 1.719 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 805787052 ZRMYLOLMYTWGRG-KRWDZBQOSA-N 430.486 1.807 30 10 IDEE C=CC[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)c1ccncc1 805807947 PFIJAXHTECUKIR-IBGZPJMESA-N 440.525 1.418 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCN(Cc3ccccc3Cl)CC2)n1CCOC 812157878 NMMLKIAEIHGMPP-UHFFFAOYSA-N 440.979 1.969 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917925772 NCYJGVIVSFVHTH-SNVBAGLBSA-N 437.293 1.168 30 10 IDEE C=CCN(C(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1125884031 NTCWRVHPSMWAQB-GJZGRUSLSA-N 438.550 1.838 30 10 IDEE C[C@H](C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C)n1cnc(C#N)n1 1130700837 INFOYXDYXROOTR-WZRBSPASSA-N 444.414 1.091 30 10 IDEE CC[C@@H](C#N)N(CC)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1134208344 GFXBQWJWMOFVEV-AWEZNQCLSA-N 432.502 1.726 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 1139833698 OBLWTOGEJUODEZ-KRWDZBQOSA-N 438.550 1.289 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1141694908 MXRCJYNDMVRKRM-RMKNXTFCSA-N 446.504 1.071 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F 1142612286 KXIMTTKCJGXTNS-FKEVTRRJSA-N 436.390 1.539 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C)c1cc[nH]n1 1180074583 YDRKNCDMVMFIKI-LHSJRXKWSA-N 449.508 1.599 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(N(C)C)cc(C(F)(F)F)c2)CC1 1209513365 HZBRJPYQKUXBKM-UHFFFAOYSA-N 433.456 1.389 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N[C@H](C#N)c3cccc(OC)c3OC)CC2=O)cn1 1267506751 OVSCIHIGQUOUNR-RHSMWYFYSA-N 427.461 1.281 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1273312668 LXTYIWYOEKGLLW-MOPGFXCFSA-N 437.562 1.485 30 10 IDEE COc1ccc(C(=O)NCc2ccc(CC#N)cc2)cc1S(=O)(=O)N1CCOCC1 1277293329 OMUMCIKPYXDOHF-UHFFFAOYSA-N 429.498 1.712 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1286281383 FXGNFSYLTZRKKI-SJORKVTESA-N 441.532 1.915 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCS(=O)(=O)CC1 1286284022 ZKJFFGYBXWPYFW-HNNXBMFYSA-N 446.529 1.114 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1286373377 FKIILFMWZHAICD-QGZVFWFLSA-N 430.553 1.988 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1286397166 XXRYVAWVWGJBJX-RTBURBONSA-N 429.546 1.898 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCOCC1 1286562911 MRDPLLITEUGLER-UHFFFAOYSA-N 427.509 1.610 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286604472 LJLZUIRJMCMNOD-INIZCTEOSA-N 447.561 1.608 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)C1 1286799756 ZYIYMXZWJCJKMM-QGZVFWFLSA-N 437.566 1.120 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1286964923 GKJZICGKIWBRHC-CYBMUJFWSA-N 436.538 1.815 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 1290136377 SILGRDJGEKJWKN-SRXHXZOOSA-N 446.548 1.623 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1291248206 NVBDURZPENHGDF-NRASPWIFSA-N 430.509 1.661 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(OC)CCOC2)c1 1300332501 IDRRFXOUWPYVMA-QHCPKHFHSA-N 447.499 1.597 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1300502759 WSZLPGNIGWGFAG-MRXNPFEDSA-N 445.574 1.226 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nnc(C)s2)CC1 1300707828 LBAGYMRFMQUBFA-UHFFFAOYSA-N 425.566 1.298 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 1300891207 KBTSHPAJVCBYGQ-RXVVDRJESA-N 430.553 1.440 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCS(C)(=O)=O 1300895656 UJKLKCYLISNIPL-XDNAFOTISA-N 442.582 1.464 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1300913648 YUFJKELRTZZRGK-SFHVURJKSA-N 425.537 1.912 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301568321 RCZFMHIHEKOTJR-UHFFFAOYSA-N 439.582 1.078 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1301639145 DMXDEBFHIDADDH-KRWDZBQOSA-N 436.534 1.509 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1302483446 CDQYTGUTTVCPRR-PMACEKPBSA-N 425.472 1.770 30 10 IDEE CS[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316371935 CZBJDJZCQVLZFI-CQSZACIVSA-N 445.597 1.408 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ncccc2F)CCO1 1316535228 GVFIRCKVRXATRM-AWEZNQCLSA-N 438.423 1.267 30 10 IDEE C#CCN(C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1321765386 BFFYMDZCKKOUDO-MRXNPFEDSA-N 435.481 1.459 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O 1358878307 UVHDAOVTVRUIOA-OAHLLOKOSA-N 439.541 1.862 30 10 IDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358910257 JOYBWPIOLVYGPI-UHFFFAOYSA-N 449.559 1.723 30 10 IDEE C#CCCCn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1358935483 KDEJSOXMFBJDRC-HLIPFELVSA-N 426.583 1.990 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCCn1cnnn1 1359022355 WSRVTNGKBUQZFV-UHFFFAOYSA-N 445.325 1.870 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(OCCOC)CCOCC2)CC1 1359033762 OQDUSQAPJQJGPV-UHFFFAOYSA-N 440.548 1.308 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(CC)CCC)CC1 1359044749 NQAZBOAWHAAWJP-FQEVSTJZSA-N 430.597 1.870 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1359122116 ZAODKPRTNWIKLE-MSOLQXFVSA-N 439.582 1.440 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359148746 BBHWRCRXMOZMMV-UHFFFAOYSA-N 443.939 1.672 30 10 IDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359228682 KQFIBKPOUUCMCQ-KRWDZBQOSA-N 444.561 1.996 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CCOC)[C@@H](C)C1 1359301937 QHMLDHRVVOUPEB-KRWDZBQOSA-N 430.528 1.467 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCCCC2)CC1 1359304288 TZUCVEYERODZFM-UHFFFAOYSA-N 443.596 1.405 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1359306534 JSULTCAUTFIQML-YWZLYKJASA-N 448.524 1.943 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1360486878 HZZPWRZGWPXZSW-VQIMIIECSA-N 448.531 1.917 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](O)CS(=O)(=O)c3cccs3)n[nH]2)c1C 1446599333 HUVTVAYETHNOLP-CQSZACIVSA-N 449.558 1.702 30 10 IDEE CCOC(=O)[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](O)c1ccncc1 1454448073 VTVLDQOMBHBXPA-VQTJNVASSA-N 445.516 1.813 30 10 IDEE COC1(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CS(=O)(=O)C1 1463155797 QYPHYCUIUIVYML-BQBZGAKWSA-N 431.301 1.429 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)c(O)n3)CC2)cc1 1464040673 XEXSCTZBRUGPSC-UHFFFAOYSA-N 440.403 1.824 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)c1 1468282056 GQDUDIFWAPJIET-UHFFFAOYSA-N 439.515 1.783 30 10 IDEE N#Cc1c[nH]c2cc(C(=O)N3CCN(CCNS(=O)(=O)c4ccccc4)CC3)ccc12 1470347615 PBIKRKPDPQAZJJ-UHFFFAOYSA-N 437.525 1.776 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)N[C@H](c2ccccc2)c2cccs2)CC1 1473348277 XLMIAPKHWBTGQI-OAQYLSRUSA-N 446.598 1.429 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCS(=O)(=O)CCO1)CCCC2 1473894082 FQYQIGXOMXHVCR-OAHLLOKOSA-N 436.534 1.018 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCCO1 1494477402 GWRSHTNNPZCGND-LSTHTHJFSA-N 427.505 1.884 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)CCN2CCOCC2)n1Cc1ccc(C#N)o1 1496739671 CITYFAHDMUOIPQ-UHFFFAOYSA-N 429.525 1.478 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H](C)N2CCCCC2)CCOC1 1502728102 GEWHYGREUWCIQE-XQBPLPMBSA-N 432.569 1.923 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1505071789 FQOFHPRSBZZQSF-XGHQBKJUSA-N 428.468 1.591 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1507516741 MMXRHALTLLNLLQ-HUUCEWRRSA-N 447.565 1.488 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CC2)c1 1507552298 NUZAQEWYGYYFSO-PXNSSMCTSA-N 439.516 1.583 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1507627246 RJMPAVLYSHGDPN-SFHVURJKSA-N 445.545 1.107 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC1CCCCC1 1507657746 ZRBYOGOSAMRNEK-UHFFFAOYSA-N 438.557 1.791 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2COCCO2)CC1 1507720249 CFJZLCHIMXNILR-YLJYHZDGSA-N 429.496 1.728 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1507843103 HVDRIKNDJBOYSD-GJZGRUSLSA-N 430.475 1.895 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nnc(C)s2)CC1 1507883177 ZNOFAORKSGYXHZ-CYBMUJFWSA-N 425.584 1.837 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1508040535 YVLPLKQWFPOVAO-TWFHAPMSSA-N 438.594 1.760 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 1508094639 HWZASEVJIVWFML-IBGZPJMESA-N 437.548 1.784 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2OCCC2(C)C)C1 1508118511 XLPQXAWRPHHGIX-OAGGEKHMSA-N 427.571 1.485 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1508125680 DTCDIMPWHAPNMO-JKSUJKDBSA-N 433.475 1.859 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1C(C)(C)C 1508148155 GMGARLGBQVNHEZ-UHFFFAOYSA-N 425.599 1.871 30 10 IDEE CC(C)=CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508742286 TVVYPOFZMGOTNM-AWEZNQCLSA-N 445.549 1.780 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1516805907 ACTNLOUMKHTQHH-INIZCTEOSA-N 442.501 1.764 30 10 IDEE CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516850442 GYSHGWQIPZJTHC-QRVBRYPASA-N 444.561 1.465 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516869220 YWZSNQHJAYNEHQ-DRKIFQHWSA-N 443.533 1.798 30 10 IDEE CN1C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)CCN2C1=O 1517412481 HQGQANULQIBJJW-INIZCTEOSA-N 425.493 1.056 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1519034785 CMPIECBRPCJGBA-KRWDZBQOSA-N 433.534 1.779 30 10 IDEE C#CC[C@@]1(C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)CCCN1C(=O)OC(C)(C)C 1529203942 FYJYSFSBGBKWSY-QOIOWGMHSA-N 426.535 1.050 30 10 IDEE COC(=O)c1nc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccc1Cl 1531992631 FLKSLJDHPONLOP-UHFFFAOYSA-N 436.877 1.644 30 10 IDEE Cc1nn(CCC#N)c(C)c1OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1537504154 CRHRNNBOCUKAOI-UHFFFAOYSA-N 446.529 1.973 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539095051 YVIUNSXLQNHNEF-YJBOKZPZSA-N 448.597 1.427 30 10 IDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539147426 HRRYUYCMHOCPAI-ROUUACIJSA-N 428.537 1.740 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1539180252 YIAMNGPRXAODHG-SFHVURJKSA-N 435.525 1.452 30 10 IDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)N1CCSCC1 1539182435 CIJNUOFZTAXYBL-UHFFFAOYSA-N 437.566 1.456 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1 1539203117 NSBLOONOLHILRL-INIZCTEOSA-N 445.593 1.569 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CCOC 1539267038 VWIMSYBGVFCKNC-HSZRJFAPSA-N 437.548 1.312 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1539350260 FVGUCKAFXBDSJF-OYHNWAKOSA-N 430.505 1.970 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539446349 WZKKJEULEPDNPN-HBMCJLEFSA-N 441.624 1.743 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539514303 PLJQAOVJVMJJAQ-OXQOHEQNSA-N 429.550 1.081 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1540028468 NWNAPGBEJIYPQF-MRXNPFEDSA-N 437.508 1.180 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCN(C)C1 1540084776 YTOUMYANKPIBSI-DEOSSOPVSA-N 439.608 1.332 30 10 IDEE C=C[C@@H](O)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1540398875 LTCNLCJRBVNDAJ-LJQANCHMSA-N 447.513 1.818 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540907804 IXDJDEMZMFIWHJ-ZWKOTPCHSA-N 434.610 1.590 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1541112507 IABUGGVCKHFOHT-WCXIOVBPSA-N 449.581 1.029 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1542224924 WNKWHCASQGEVDL-YWZLYKJASA-N 449.556 1.753 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1543518407 SRKAUXDXYBYOPJ-UWJYYQICSA-N 444.513 1.191 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)O1 1546046104 WUPHXIGACJSYCP-JBYIUTFZSA-N 429.569 1.941 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1555814764 KQSJFNADSHOURB-WMLDXEAASA-N 434.522 1.408 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC(O)CC2)CCO1 1555993737 QZRVBJGCUUPOGQ-QGZVFWFLSA-N 446.502 1.723 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 1559519794 OYZPIFALVNVFEE-UHFFFAOYSA-N 426.542 1.727 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 1560983605 YTYGPWKTFROERC-UHFFFAOYSA-N 429.333 1.159 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1587638146 CEEFRGROWUBMSF-JCECYMMASA-N 439.582 1.273 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COc2ccccc2)C1 1587808731 WGLUKVGKGIYIBT-MJGOQNOKSA-N 447.561 1.586 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1588068869 BEODKYJNXCPJPK-GOSISDBHSA-N 428.518 1.408 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1588139544 OUNQDIPEBBWVJJ-YLJYHZDGSA-N 440.525 1.831 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C(=O)NC 1588613308 WAGBOMQLCTYKTK-UHFFFAOYSA-N 427.505 1.575 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NC2CCCCC2)CC1 1588751467 KZHQDKBEXIAZDB-HSZRJFAPSA-N 444.580 1.134 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccnc(OC(F)F)c2)CC1 1588806322 MSPCUVMWQWHFHZ-UHFFFAOYSA-N 426.431 1.535 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)C 1595184755 APNLQMGAPDOAKX-UHFFFAOYSA-N 432.550 1.462 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCSC1 1595530205 WQELERWCCHAGMY-CQSZACIVSA-N 449.606 1.482 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CSCCS2)C1 1595721985 IFBKYIKUUJPDSW-OAGGEKHMSA-N 444.648 1.810 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CC1 1619989023 UUURNVJVZPTVMA-HNNXBMFYSA-N 425.555 1.709 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCOCCCO)CCO1 1620354898 MJWSJWCHIVBFKT-LBPRGKRZSA-N 442.339 1.897 30 10 IDEE C=CCC[C@@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1627751983 KKXXPSWBURLLDF-HZPDHXFCSA-N 425.526 1.764 30 10 IDEE N#CCN1CCC(CNC(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1627909979 PAYBJCVYDDLOAE-UHFFFAOYSA-N 428.352 1.965 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)CC[C@@H]32)CC1 1629918497 HSSUYNCHVSJLGW-ROUUACIJSA-N 442.520 1.894 30 10 IDEE N#Cc1cn(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(=O)nc1O 1630281060 VZKYVIFVNHHXIM-AWEZNQCLSA-N 433.415 1.597 30 10 IDEE C#CC[C@@H](COC)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1631077053 AWHYSWMGXKJEST-KSFYIVLOSA-N 449.507 1.924 30 10 IDEE CCOC(=O)[C@@]1(F)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1CC 1634413392 UBMNHRZYMZFHSU-FRIZHTMISA-N 425.482 1.365 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1cc[nH]n1 1636145161 LLUKAHGNTOATOG-CQSZACIVSA-N 442.394 1.952 30 10 IDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)nn(-c2ccc(F)cc2)c1N 1637410755 SMOPHRVGEJFCGL-LJQANCHMSA-N 439.495 1.850 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)c1 1638213018 JEVYJPATPUAVQY-CYBMUJFWSA-N 441.435 1.244 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1640587974 CSWXGVXEWXEWKN-UHFFFAOYSA-N 449.407 1.169 30 10 IDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1644292103 RKWSUZFDDZSDLB-HDICACEKSA-N 449.573 1.273 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 1644680048 YZOLJEIUDSCNJR-UHFFFAOYSA-N 443.548 1.801 30 10 IDEE CS(=O)(=O)c1ccc(N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(S(C)(=O)=O)c1 1651438345 HNTHXLKZQMUPOK-HNNXBMFYSA-N 434.543 1.841 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1652012521 AZYPNNQQFJBIRK-UAGQMJEPSA-N 444.937 1.478 30 10 IDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1665174762 JSGOXLHGWUZVEM-BBWFWOEESA-N 430.592 1.959 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)n1 1672542515 NSQPUEQNPDUQMV-UONOGXRCSA-N 427.431 1.515 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1687349206 RXADQKWJDMWXER-UHFFFAOYSA-N 428.537 1.591 30 10 IDEE C#CCCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1689906576 OIOWTQAYAHGVTF-JOCHJYFZSA-N 425.537 1.850 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1689966607 WULQNOIYWQDHMC-IRXDYDNUSA-N 427.530 1.303 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689993878 NAIVHVDPVFTISU-LJQANCHMSA-N 449.621 1.800 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1689996038 CRJDUOCUABJWKI-INIZCTEOSA-N 447.586 1.863 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1690009189 XACOCONSFSIGOX-INIZCTEOSA-N 436.472 1.023 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC2CCOCC2)CC1 1690396995 RVRMWSSUFKYBQK-INIZCTEOSA-N 441.598 1.876 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)NC)CC1 1690507617 QWZQOWWJDWRZCL-UHFFFAOYSA-N 444.536 1.951 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCCC[C@H]2C1 1690665768 OVJASLUTCHSVQC-KRWDZBQOSA-N 440.548 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1N1CCOCC1 1690669224 YKAVEVWTKMSCOS-UHFFFAOYSA-N 448.531 1.510 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1690672473 SSFWGPXJTPMRPS-UHFFFAOYSA-N 429.500 1.043 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(C)(=O)=O)C1 1690705821 DUFSXIGCLBXRLI-CQSZACIVSA-N 426.489 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(C)=O)CC1 1690724905 YPZHRVRTEQQHEO-SFHVURJKSA-N 439.582 1.473 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1695163725 WJOCTLNFBXOZCW-OOADYSHXSA-N 444.536 1.704 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1705583354 WKTJTYUIKFGELR-LJQANCHMSA-N 425.558 1.562 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1705590575 PQMOVUWLEWILHP-DEOSSOPVSA-N 443.592 1.892 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1NC(=O)CC1(C)C 1705600050 KCLGBPHNMZMDDN-IBGZPJMESA-N 429.528 1.894 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705647138 BBSFFCZKXNQVKB-OAQYLSRUSA-N 442.608 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(C)CN(C)C2=O)CC1 1705649939 JEACCYWKMARYDY-VWLOTQADSA-N 448.571 1.621 30 10 IDEE C#CCSCCn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1705665612 YWBGNWDLAVONOP-NRFANRHFSA-N 435.594 1.649 30 10 IDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(N)=O)C1 1705736284 PVXZXLQMNCZZIH-HNNXBMFYSA-N 447.565 1.143 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705818457 KJTCXTWHSZJPSZ-OAHLLOKOSA-N 442.545 1.782 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705882321 SVMPYRQOUUUTII-SFHVURJKSA-N 444.561 1.737 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCCCC2)C1 1705894819 MEDQRNULSMTVFX-SFHVURJKSA-N 431.585 1.563 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705894867 NHDXOBZEPZQAAV-KRWDZBQOSA-N 449.519 1.574 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705908416 BQFVMZKUWXQLPW-ZSDSOXJFSA-N 432.525 1.535 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705939082 RMEWDMUNEJLTHI-MRXNPFEDSA-N 439.582 1.425 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(N2CCOCC2)c1 1706069463 CYYZLFYFHSMZFJ-QGZVFWFLSA-N 425.537 1.897 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1706941578 WJCUBLIAQOICKI-TZMCWYRMSA-N 448.325 1.679 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H](C)C2)CCO1 1711362743 FEGOFYDQYNMGEZ-YLJYHZDGSA-N 437.548 1.500 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCc2ccccc2)CC1 1722331951 BBKZDKSXXGBQRA-OAQYLSRUSA-N 441.601 1.958 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnnn2C)CC1 1722433321 QTXNWMKJGZRFLJ-UHFFFAOYSA-N 428.447 1.479 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)CC1 1722438360 WPFCIFADAKXPBY-WOJBJXKFSA-N 448.637 1.200 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2conc2COC)CC1 1722448047 QPBSOBMBIMJSSD-LJQANCHMSA-N 442.520 1.668 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722470991 ZWKMHHJFXGRNGC-OAQYLSRUSA-N 439.541 1.749 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722555495 LKFFHJLSJHHHGU-OAHLLOKOSA-N 441.985 1.914 30 10 IDEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNS(=O)(=O)CC)CC1 1722567448 YTGUMHKYTIRXFZ-UHFFFAOYSA-N 429.550 1.612 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722627899 PYKZHWVDKKBILH-SFHVURJKSA-N 430.553 1.661 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1722676581 DSNAGNNEUZNJSP-AEFFLSMTSA-N 436.534 1.424 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722740244 MLACROANBOABOR-INIZCTEOSA-N 433.582 1.486 30 10 IDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@@H]2CO)CC1=O 1729598431 KCOAHRYKMHINKU-HXUWFJFHSA-N 437.548 1.332 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740615796 LFTXMAOOWSDZLO-ROUUACIJSA-N 449.577 1.516 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1740618932 LOCCVKNDELEIPS-PKOBYXMFSA-N 448.545 1.242 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C(C)C 1740683294 AZZVGORTWNLWDT-OAQYLSRUSA-N 448.593 1.731 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NC(C)C)CC1 1740695976 IJGAVXQMLLZGBO-FQEVSTJZSA-N 438.532 1.461 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc([C@H](C)O)cc2)CC1 1740699181 XAWVNSORODOFSJ-FQEVSTJZSA-N 433.560 1.997 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1740702089 VSHJVMIRVXZFSC-UHFFFAOYSA-N 433.516 1.309 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740750841 FYYHONUDKGCEHG-OTWHNJEPSA-N 446.596 1.946 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1740771726 BQTSETFKZVAFCK-JKSUJKDBSA-N 426.512 1.988 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740777794 IXUGWXJEUQTJNY-BZSNNMDCSA-N 441.598 1.686 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740865408 UCXPCVDOWBBFPV-GHTZIAJQSA-N 437.610 1.838 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740889935 NIMFLJFEOZYLAR-GHDARCQNSA-N 436.553 1.979 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1740962798 PEMWDUOSFXULCK-UHFFFAOYSA-N 448.531 1.318 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)CCC(=O)NC 1740988507 GYABGWWXYYVSHY-UHFFFAOYSA-N 442.545 1.666 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)Cc1cccc(F)c1 1742810176 ZKANASBBNBGEDS-UHFFFAOYSA-N 435.463 1.620 30 10 IDEE CCCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1745678413 JBLWGNLCSFSYAG-DNVCBOLYSA-N 441.577 1.452 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1745953299 FACPVDGMCLMOFM-SFHVURJKSA-N 439.545 1.920 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)c1 1748289730 PDISKUKTQICCRU-WBVHZDCISA-N 432.550 1.867 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748805915 YJHXQEMLJAKCPV-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748814427 FVEZWNCZKQZIRI-IBGZPJMESA-N 442.589 1.760 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748819400 ODKGJQYWDHEXRH-KRWDZBQOSA-N 445.574 1.042 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1748945380 RWERAFSNQCRVBZ-QGZVFWFLSA-N 445.520 1.585 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1749118346 FRCVQIIOWDTEQB-RYRKJORJSA-N 439.520 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@]1(OCC)CCOC1 1749739521 FBODBFZWVMYDAU-UXHICEINSA-N 442.582 1.536 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N2CCSCC2)C1 1750379653 GPJFZSGLLXNJEC-SFHVURJKSA-N 442.586 1.756 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1750563700 OCRMTUMYFQDMPW-KRWDZBQOSA-N 439.520 1.203 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760189640 KJGNKOOZQSLDPS-YLJYHZDGSA-N 437.635 1.295 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 1760273639 AVOBMZVIWGCIMV-UHFFFAOYSA-N 429.546 1.997 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)=O)C1 1760503520 KZKGGBMLIAQRSI-KRWDZBQOSA-N 444.536 1.903 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1765870816 GDUIYDIEPKAOLE-JOCHJYFZSA-N 439.520 1.602 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1766636145 BCSJZCQCBOVWDX-UHFFFAOYSA-N 429.506 1.595 30 10 IDEE CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)NC)C2)CC1 1767140587 HSKZIXIDPJHDIN-HXUWFJFHSA-N 436.564 1.169 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1767571381 HFKULJQVNRQXQU-NVXWUHKLSA-N 444.561 1.460 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Br)cn2)cn1 1769008206 BEWJAFUJWGSUTP-AWEZNQCLSA-N 432.286 1.067 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1770358604 MEZDRMYKFPSLLV-UHFFFAOYSA-N 440.476 1.513 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2CCOC2)c1 1771343775 KTCDOPZBSXQJLA-RDJZCZTQSA-N 431.518 1.504 30 10 IDEE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCC#CCN1CCOCC1 1851457507 WJDOACXYRXHZQP-UHFFFAOYSA-N 427.526 1.334 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@@H](COc2ccc(C#N)cc2)OC(=O)[C@H]2CN(C)C=N2)cc1 1851917918 QFDFOKOQQDHGBD-TZIWHRDSSA-N 441.509 1.974 30 10 IDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)C1 1855354618 MQALMIARIIEBCP-UHFFFAOYSA-N 425.938 1.598 30 10 IDEE COc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870155596 VIGMPRVUSACELS-UHFFFAOYSA-N 447.367 1.290 30 10 IDEE CCCCCCCCN1C[C@H](C(=O)N2CCC(C(=O)NCCNC(C)=O)CC2)CC1=O 1872927337 ZLIDGQVBSHLSRU-HXUWFJFHSA-N 436.597 1.686 30 10 IDEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(OC)c1 1890229280 UPMYYWLTGAJREZ-UHFFFAOYSA-N 429.561 1.505 30 10 IDEE C=C(CNC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1899525596 JVQQEKUZWWBTPF-CYBMUJFWSA-N 432.348 1.228 30 10 IDEE COC1(CCNS(=O)(=O)N2CCC[C@H](C#N)C2)CN(C(=O)OCc2ccccc2)C1 2174778989 DMGHOEIGNFPPPH-GOSISDBHSA-N 436.534 1.484 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255650550 ZYPCTBRTWFEDGE-KGLIPLIRSA-N 434.346 1.610 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255873399 KVXDSNJTXMXEKQ-HUUCEWRRSA-N 435.330 1.346 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255883074 ZZUZXHCDUGUZQH-UONOGXRCSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2256066315 AIVWAFCAVSXCRS-UHFFFAOYSA-N 432.330 1.859 30 10 IDEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2267139422 GFSXSPWZSPZUHO-VXGBXAGGSA-N 444.263 1.628 30 10 IDEE Cn1cc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267171655 NOWAUCDZLGCHFC-NXNIQBKKSA-N 446.357 1.895 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N=Cc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 2294853637 WJHCKBGRAPMEIX-NXEZZACHSA-N 428.681 1.666 30 10 IDEE NCC#Cc1c(F)cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1F 2366934621 WKWBKJSVDFLDGL-UHFFFAOYSA-N 433.436 1.703 30 10 IDEE N#C/C(C(=O)Nc1ccccc1)=c1/s/c(=C2\SC(=O)NC2=O)c(=O)n1-c1ccccc1 8828093 IPDACUYWOIJZFN-RMOLUBBUSA-N 448.485 1.303 30 10 IDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2c(OC)ccc(OC)c21 13794456 RKRFFLPQMXQBSX-XEXOPBTESA-N 437.543 1.595 30 10 IDEE COc1cc(/C=C2\Oc3cc(OCC(=O)NCC(=O)O)ccc3C2=O)cc(OC)c1OC 33578244 UCPPRJILLBXGDE-SOFYXZRVSA-N 443.408 1.908 30 10 IDEE CCC(CC)(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 443870952 UPVQVDSUGDZWMD-UHFFFAOYSA-N 436.534 1.554 30 10 IDEE CCN1CCN(C(=O)CC2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)CC1 466106589 JPRRDLGTHQIIGB-UHFFFAOYSA-N 427.549 1.913 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 481114198 DJBCSSMFCJMZDE-MRXNPFEDSA-N 432.546 1.476 30 10 IDEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)Nc2ccccc2C(N)=O)sc2c1CCC2 586345498 UADDPHHOOYIYFV-GDLZYMKVSA-N 430.511 1.533 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c(F)c1 586863862 CBEPWIVDIITQLW-UHFFFAOYSA-N 430.461 1.170 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 609925384 QFEBTGSOSIZZOR-UHFFFAOYSA-N 428.470 1.868 30 10 IDEE COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 613310850 YZPDKYAVMLJUOA-KRWDZBQOSA-N 442.497 1.938 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 619105613 CCMJWDUUKMOXHZ-UHFFFAOYSA-N 433.493 1.964 30 10 IDEE C#CCN(CC(=O)N(C)CCOc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 731212651 HKBNHQXXJRJSLB-MRXNPFEDSA-N 443.363 1.409 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665135 XXFHBTDHGLXZFT-IEBWSBKVSA-N 436.603 1.594 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 733135774 LDWWZBBKXTXLOO-CQSZACIVSA-N 446.978 1.631 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 741453398 SZUVKWWMCKBTFN-SFHVURJKSA-N 433.578 1.521 30 10 IDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 757371331 BDTVOISMZNLBFW-PXTSUWAFSA-N 427.486 1.434 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 769089266 WBWBGBSSJLNDNF-NRFANRHFSA-N 442.560 1.967 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(C[C@H]3CCCO3)c2=O)c1 772278118 LKLYCJGCGNHMIO-GOSISDBHSA-N 437.496 1.952 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@@H]1CCCO1 772900074 LDHZIHCGKNWFRR-SFHVURJKSA-N 448.548 1.665 30 10 IDEE CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(Cc4ccccc4)c3=O)ccc21 774528811 BVKHDKUIGPUUCI-UHFFFAOYSA-N 426.501 1.894 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1 782859457 XOLOLTGYTSMZAK-GUTXKFCHSA-N 434.518 1.211 30 10 IDEE C=CC[C@]1(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 791715979 JXIXVOQHCWFPBS-HSZRJFAPSA-N 449.548 1.956 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 800779930 FDBSQLQFMAYPSO-HZSPNIEDSA-N 428.559 1.424 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC 808282487 CMCKQIXMIPJFFK-LBPRGKRZSA-N 434.923 1.118 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 809392799 HDFQIPQKEHXBHY-CCEZHUSRSA-N 443.254 1.265 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 812935153 XYFZTTLQXAHACB-MDZRGWNJSA-N 438.525 1.181 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1Cc1ccon1 814250273 LGRJKDWWULTLOV-UHFFFAOYSA-N 445.451 1.280 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C[C@H]1CCCO1 1116150718 OPAPVSDZZZGFKD-LJQANCHMSA-N 437.565 1.605 30 10 IDEE CON(C)C[C@H](O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1137575927 HMYPOCGZPCICMZ-YOEHRIQHSA-N 446.895 1.254 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1142139934 ZNDXRGQZOCRGDV-INIZCTEOSA-N 428.555 1.600 30 10 IDEE C=CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)nn1 1162479909 FBOZUYVKMVVFSU-HNNXBMFYSA-N 439.925 1.505 30 10 IDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)CC1 1167531391 NGTMUPUAAGBXNJ-UHFFFAOYSA-N 448.541 1.251 30 10 IDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1251295304 DHTZHTLAWQOJNM-UHFFFAOYSA-N 428.518 1.879 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286337053 VHEAVMYFKRPFLD-LJQANCHMSA-N 441.580 1.786 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286392223 LEGNMAVIBZRNGK-PMACEKPBSA-N 433.622 1.978 30 10 IDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286396730 YPGMFBWJEYOHBA-OKZBNKHCSA-N 437.610 1.355 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1286419614 BJZOTAXBRBMGFK-BEFAXECRSA-N 435.575 1.320 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC(=O)N2)CC1 1286476132 PAGOJCNJGMFWOS-OAHLLOKOSA-N 443.349 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CC2)CC1 1286494124 JTONASHMGUAUKJ-QZTJIDSGSA-N 429.565 1.687 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2nncn2CC)CC1 1286494886 VDGCTBKHESNCAT-UHFFFAOYSA-N 446.559 1.689 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(CC)C(=O)C1 1286792241 RSDXCHAJLYQLKD-UHFFFAOYSA-N 426.521 1.526 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1286798840 LRXQIYHISUOIFN-IBGZPJMESA-N 447.561 1.824 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(C)(=O)=O)C1 1286812799 TWXZLTRGEZEXOD-KRWDZBQOSA-N 430.534 1.343 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1286824351 BKLNSUARJMDLHT-ZWOKBUDYSA-N 442.582 1.535 30 10 IDEE C#C[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1298583756 FGTAWXZPYWVTJN-WBVHZDCISA-N 428.514 1.223 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1300303857 LMIBYWOMMWPLFC-QLCIJSRNSA-N 438.557 1.951 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1300307527 GBZRARBSGFPVCB-WMLDXEAASA-N 425.518 1.472 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1300309589 HXPKZLLNRLUVJL-LSDHHAIUSA-N 430.513 1.221 30 10 IDEE C#CCCCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300424444 HKFYBMWIQPZNGO-QFIPXVFZSA-N 443.527 1.988 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300481372 ABOFTONFBHLYNS-CQSZACIVSA-N 435.516 1.696 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300497036 XDAVJRWBPIHMFH-ZCNNSNEGSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300505648 DQSSERGKVAEVSC-PBWTXFEYSA-N 436.578 1.960 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCSCC2)CC1 1300690869 KSQNPXKXAIVISN-UHFFFAOYSA-N 431.997 1.798 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCC(=O)NC2CC2)CC1 1300719861 SZSBCKJILSIKRN-UHFFFAOYSA-N 437.548 1.308 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 1300743376 OHFSPACJGCUBSI-INIZCTEOSA-N 448.570 1.714 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1300780774 WPOFYBIRIXBGKS-CSODHUTKSA-N 445.593 1.963 30 10 IDEE COC1CCN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1300787158 UPOHPPVEDWZVGC-IEBWSBKVSA-N 432.569 1.790 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1 1300892866 VYISJJWQKQENRP-DENIHFKCSA-N 444.580 1.734 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCOC1 1301586414 LRYSQDVJJQTJCM-QGZVFWFLSA-N 430.534 1.343 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301596103 HXVLVHZADJRXTD-UHFFFAOYSA-N 444.565 1.020 30 10 IDEE CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1306468392 WGDZKHRCBLOKEP-JFDDCEBESA-N 444.565 1.448 30 10 IDEE Cc1c(C#N)c(=O)n(CCOc2ccc(Cl)cc2Br)c(=O)n1CCO 1307389814 YNGKVPVKODKTRT-UHFFFAOYSA-N 428.670 1.677 30 10 IDEE C#CCN(CC(=O)NCC(=O)Nc1ccccc1Br)CC(=O)OC(C)(C)C 1307908229 JEEIJTYVUIDVOQ-UHFFFAOYSA-N 438.322 1.781 30 10 IDEE C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C(=O)N1c1cnn(C)c1 1309249464 IAXRBSUHMAYIGT-YGRLFVJLSA-N 438.307 1.527 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2Cl)CCOC1 1314137199 ACWWEVVQDKULQW-YWZLYKJASA-N 448.911 1.786 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C#N)C1 1314549231 SUQQVRCEYJPYDE-INIZCTEOSA-N 444.517 1.749 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)cc(OC)c1OC 1315307088 ZRYMSBIQYMHCMK-MRXNPFEDSA-N 431.493 1.862 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1358892326 XJYXKNMFUIVYCI-IKGGRYGDSA-N 435.525 1.460 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCSCCCO 1358946490 WVDDHPUDGOSYNA-UHFFFAOYSA-N 426.546 1.860 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1358961393 XUMJFHXOWCWXGW-SFHVURJKSA-N 442.520 1.801 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCS2)n1 1359028212 KWVCQEFBGGTOJL-MSOLQXFVSA-N 443.577 1.608 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCCNC(C)=O)CC1 1359039623 PBCXEFUPSSXSEZ-UHFFFAOYSA-N 426.521 1.147 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359055506 GGQYLIOZCGVKBG-CABCVRRESA-N 434.566 1.699 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359187472 OFQSPLLWUYCCPI-INIZCTEOSA-N 440.552 1.957 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359221628 IKJBFRXMWKPQPH-JTSKRJEESA-N 442.520 1.902 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnn(C)n1 1359260749 MZQRZVCYSYYQJO-OAHLLOKOSA-N 446.512 1.084 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359334234 XTDBWKGLGWRXTN-ZWKOTPCHSA-N 431.562 1.728 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCOCC1 1359513681 DORABEQYPIBBKI-UHFFFAOYSA-N 438.580 1.891 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1437438463 CIAYZBUOCDWDBS-UHFFFAOYSA-N 440.493 1.264 30 10 IDEE Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1452774219 FAJBLLWOUJZDQT-GOSISDBHSA-N 437.525 1.949 30 10 IDEE CC(C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](O)C(F)(F)F 1455052293 WXGXVAPRZUXNOR-INIZCTEOSA-N 433.452 1.777 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 1464020153 SXSZDMFNTJQLFC-OAQYLSRUSA-N 439.537 1.997 30 10 IDEE Cc1cc(N2CCC(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)nc(C)n1 1465508930 ZADZCKRQKQPSOG-UHFFFAOYSA-N 431.493 1.929 30 10 IDEE N#C[C@]12CN(C(=O)NC[C@H]3CSCCN3Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 1469772837 FURPYHOUZBNURQ-CMKODMSKSA-N 434.587 1.184 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1471536015 NDWQCMXXBIWVNR-CQSZACIVSA-N 447.351 1.527 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C[C@@H]2C1 1472624996 FOSDGHXLGZVWOS-SJORKVTESA-N 448.545 1.552 30 10 IDEE COc1cnc([C@H]2CCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)nc1O 1473864039 LGRJVHOAAMZCMY-HZPDHXFCSA-N 442.545 1.798 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1492902054 PDFPSETWDZMQDM-SFHVURJKSA-N 446.506 1.536 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1503227860 GLVVYISTJWZQCV-WMZHIEFXSA-N 438.532 1.927 30 10 IDEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507618969 FGJZVOIGMSHEQY-GOSISDBHSA-N 440.978 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCn2cncn2)CC1 1507743068 YIDUZSWPOHSBRZ-UHFFFAOYSA-N 448.531 1.135 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507747536 HTOPLLVBQZBCKF-SFHVURJKSA-N 441.605 1.743 30 10 IDEE C=C(Cl)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507874750 LBBHLYLIYJTCNX-HXUWFJFHSA-N 434.928 1.728 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CCO1 1508373350 AUBCJIDTJAVTHR-HXUWFJFHSA-N 439.564 1.746 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1510375379 VXQABQRLOZPLIL-HXUWFJFHSA-N 431.472 1.580 30 10 IDEE CN1C[C@](C)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1517408106 IEWMERXNFBODTF-OXJNMPFZSA-N 430.896 1.718 30 10 IDEE COC(=O)[C@@H]1CCCN(CC(=O)Oc2c(Br)cc(C#N)cc2OC)C1=O 1517623431 ABGWXLPNCBIPNT-LLVKDONJSA-N 425.235 1.646 30 10 IDEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1519066081 GFSUMJNFHTUKGZ-NXHRZFHOSA-N 432.550 1.668 30 10 IDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1c2ccccc2C[C@H]1C 1525892342 ZVKSDJFDRLAQCU-HZPDHXFCSA-N 440.525 1.975 30 10 IDEE CS(=O)(=O)[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1C(F)(F)F 1528579310 LNXQCVVBGFZGCM-WOSRLPQWSA-N 433.427 1.958 30 10 IDEE COc1ccc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCOCC1 1532954448 MMHPBJZGQPDGKX-LJQANCHMSA-N 441.509 1.485 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539222183 UGMFKGKNYOFJPU-ZWKOTPCHSA-N 444.561 1.306 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1539229676 GPXIUEIIOLLVTC-RXVVDRJESA-N 448.593 1.318 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCN(C)C2)CC1 1539436121 KDEPLRHFLDUOKM-JOCHJYFZSA-N 444.967 1.429 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1539632783 UDRPMDWPCPOLTA-ZWOKBUDYSA-N 433.553 1.624 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc(Br)cn1 1540071216 CSDQAAJWOZPTOH-CYBMUJFWSA-N 443.371 1.852 30 10 IDEE Cn1nccc1C[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540267474 ILZQMHHJDDUWRI-FQEVSTJZSA-N 441.557 1.926 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](COC)C2)nnc1C1(c2ccccc2)CCC1 1540876687 YFZXLAYUIQXYNP-IBGZPJMESA-N 425.533 1.902 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC1(O)CCC1 1541910659 ANUBUHCJMKESPK-HNNXBMFYSA-N 432.550 1.701 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC1CC1 1545545962 HUSVESDQEZQPOQ-HZPDHXFCSA-N 437.552 1.695 30 10 IDEE CCOCc1nnc(N(C)Cc2ccccc2O)n1CCN/C(O)=C1/N=CC=CC1=O 1548085487 MTMKWFRQBHEZME-VXPUYCOJSA-N 426.477 1.683 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)C#N 1548336579 ZFPCYTDGXAILKH-ZDUSSCGKSA-N 425.946 1.919 30 10 IDEE COc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1554903559 GRISMASOMPSHLT-KUHUBIRLSA-N 436.513 1.582 30 10 IDEE COCCN(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1555522057 PEZSMMVUJYLGEG-HXUWFJFHSA-N 433.488 1.416 30 10 IDEE NC(=O)CN1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1=O 1570227910 WGHLGBQPLXNDRQ-UHFFFAOYSA-N 429.292 1.746 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)n1 1586565754 ZUAGSGBONZFDLG-UHFFFAOYSA-N 425.411 1.480 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1587549901 DWFBHCGCWMVUGS-PDDLGQBUSA-N 432.569 1.144 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1587750441 XEVXFDUGNUWQPO-UHFFFAOYSA-N 426.569 1.473 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1587834238 OEGDRFQBXOIKKJ-IBGZPJMESA-N 427.505 1.860 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588050837 VUMIJXRWCIRGDD-OALUTQOASA-N 446.577 1.655 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1588078584 IVGGCVAIRLSKTD-UHFFFAOYSA-N 437.895 1.011 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@H]2C)CC1 1588961788 MGAASYFDJOMYCI-MJGOQNOKSA-N 442.564 1.039 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1589216539 QYVBGEUXIJAEKW-GHTZIAJQSA-N 447.561 1.861 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC[C@H](F)C2)CC1 1594096538 CVUXQOVOHMAFCJ-IKGGRYGDSA-N 427.546 1.906 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1595545326 VOXXWUINFYMOFH-CQSZACIVSA-N 448.474 1.827 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1595551636 TVHGQVULQVTVFU-INIZCTEOSA-N 429.521 1.850 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2Cc3ccccc3O2)C1 1595674881 VLAPENGGQGLTQO-JQHSSLGASA-N 447.561 1.673 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1598062992 OBPHJHLNFALVFS-GOSISDBHSA-N 444.561 1.602 30 10 IDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648794 JNQSARPRWWZSBD-KRWDZBQOSA-N 437.518 1.485 30 10 IDEE Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cs1 1612418238 CQGNOSWRCAYNRN-MEDUHNTESA-N 427.531 1.338 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNS(C)(=O)=O 1613320836 QGWZGMLKJPDSTF-MRXNPFEDSA-N 446.581 1.324 30 10 IDEE CS[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1620197601 GIBOYEHMUFPWGH-RBSFLKMASA-N 441.565 1.357 30 10 IDEE COc1cc(N[C@@H]2CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)cc(OC)c1 1622398099 CCUKJUMUEQOQOU-OAHLLOKOSA-N 427.461 1.331 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)[C@H](C#N)C1(SC)CC1 1624875771 IPPSKNPQQNZWMZ-QGZVFWFLSA-N 439.559 1.576 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@]3(C#N)CCCOC3)cc2)CC1 1632260054 QYWPAVOYUWICFS-QHCPKHFHSA-N 428.533 1.209 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1633055681 HIASTNSJZWWNEM-OAQYLSRUSA-N 432.525 1.275 30 10 IDEE COc1ccccc1CCNC(=O)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1634449361 RTLZFQPTVFVKAO-UHFFFAOYSA-N 433.461 1.220 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)OC)ccc1F 1637621543 FJKFQESMDQJPHE-SFHVURJKSA-N 448.472 1.736 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)ccc1F 1650926438 UHQYHDMZIVWNFS-KRWDZBQOSA-N 436.461 1.124 30 10 IDEE Cn1ncc(I)c1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 1656250279 YCILSSIIQYRGQV-INIZCTEOSA-N 435.225 1.864 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)n1 1672542516 NSQPUEQNPDUQMV-ZIAGYGMSSA-N 427.431 1.515 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)C1 1681226088 BXBSDNMLZXZGBA-PRXAMGSTSA-N 433.431 1.598 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1689986660 URQOTUVQFMLUNR-KRWDZBQOSA-N 438.513 1.419 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1689998175 DRIXOPSSWRPCHD-OKYOBFRVSA-N 434.562 1.738 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690122485 RZHADNAOWJNNFO-UHFFFAOYSA-N 428.562 1.371 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1690146223 IOMXMKBEPRFEEQ-OAQYLSRUSA-N 444.624 1.799 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690154238 LGIVXYNEFCWJKS-UHFFFAOYSA-N 447.634 1.870 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690185111 USTPEZXEZJHCKL-MRXNPFEDSA-N 429.546 1.899 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1690285781 NNFNGASUTNDPSF-SFHVURJKSA-N 444.561 1.457 30 10 IDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCCS(C)(=O)=O 1690351292 OIBZVONCAANBQY-UHFFFAOYSA-N 431.971 1.893 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC(C)(C)C2)CC1 1690397029 SWYDFCDTKWJJAF-INIZCTEOSA-N 440.614 1.402 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ncccc2F)C1 1690711986 LOBRWEIYBSVBJL-INIZCTEOSA-N 430.484 1.795 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)n1 1693430203 LMFLVDHZFRBSFT-GOSISDBHSA-N 426.525 1.175 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1694355454 UUROHDAGCKBNOZ-WBVHZDCISA-N 426.525 1.384 30 10 IDEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1696386300 LIDKEUOZAXBXGX-KDOFPFPSSA-N 428.534 1.537 30 10 IDEE COCCOCCn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1698223125 JNKJAMUSQNDIJA-SFHVURJKSA-N 448.531 1.985 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705532511 OMEMWFZBUJTFAE-UONOGXRCSA-N 447.483 1.098 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705538508 RFDVPWVNDUAHDM-UHFFFAOYSA-N 449.563 1.987 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705541306 FLHBCFFPRXJNSI-HZPDHXFCSA-N 435.525 1.908 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705566193 LYAGFXPEYOZBFA-IRXDYDNUSA-N 433.534 1.096 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1705598052 ZXVDKUWQDJNGCD-HXUWFJFHSA-N 440.525 1.854 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1705640906 KAEAZENHCMYCBJ-SFTDATJTSA-N 437.592 1.518 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705663242 ALKZLSAFHUYCQO-RXVVDRJESA-N 444.649 1.976 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1nncn1C 1705693915 MBKHIUWDFNLRNV-ULQDDVLXSA-N 428.541 1.868 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705699197 DIUUBGATCQJRDW-ZRNYENFQSA-N 433.553 1.842 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705894922 OFDOTJCXQAWMQQ-INIZCTEOSA-N 449.519 1.030 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705933133 VISZULHQVGWXOV-OAQYLSRUSA-N 440.529 1.276 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCSC2)nnc1[C@@]1(OCC)CCOC1 1705938732 IDXGZOGKBZVVEW-MAUKXSAKSA-N 430.596 1.473 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1712615305 GGEAQYJPHBKWJR-UHFFFAOYSA-N 427.505 1.866 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1722291097 CTAVXAFSUFZUMU-INIZCTEOSA-N 437.573 1.699 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1722316445 ICJZSLGXBUPYNT-JKSUJKDBSA-N 427.596 1.356 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722371806 LRKWWWSXCYEREI-LJQANCHMSA-N 447.605 1.648 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1722392427 LQUYBOUNGOLMLU-UHFFFAOYSA-N 449.511 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722440403 FWHNMHFTCMKNQN-MOPGFXCFSA-N 442.564 1.363 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1722483486 HFEMJPLUSXVYTA-ZDUSSCGKSA-N 425.331 1.620 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722694040 JWQHGXKGYGSPPE-HNNXBMFYSA-N 429.502 1.617 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](COC)C1 1722695689 MKPRIOWQQUJGDO-HNNXBMFYSA-N 435.912 1.761 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)C1 1722718283 IGFUESGFPYPHNA-ROUUACIJSA-N 446.577 1.471 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1730762639 IDSVHAAUZQIELN-QGZVFWFLSA-N 439.520 1.851 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CC)C2)c1 1740562093 GKBUNCWODNAPRT-AZUAARDMSA-N 449.559 1.627 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1740599396 ACMQURCZMBQQKW-QGZVFWFLSA-N 430.578 1.406 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCCO)CC1 1740705683 LGVDTPVUCRGULZ-UHFFFAOYSA-N 442.520 1.134 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740706316 RYJFBHCDOMABHN-ROUUACIJSA-N 442.564 1.053 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1740781273 ZHQOFCMOVGGLFA-RTBURBONSA-N 438.580 1.938 30 10 IDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1 1740877047 XZGBXAJSDHAZGN-UHFFFAOYSA-N 431.566 1.653 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1740948473 HCGDUHXYZRPXMJ-UHFFFAOYSA-N 444.561 1.406 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)=O)CC1 1740953059 UUGKPBMADMKULH-UHFFFAOYSA-N 447.337 1.678 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 1740957969 FXZHCUKYOPPXAB-QGZVFWFLSA-N 441.492 1.855 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740960387 QLRPKPBTLZLQSK-AEFFLSMTSA-N 429.525 1.269 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](CC)C1 1748747081 CCJZOHZVRPBSFM-QGZVFWFLSA-N 428.537 1.966 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748817455 KXSVFNBRVYTDDG-QZXCRCNTSA-N 426.608 1.405 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N(C)C 1748882620 ZDUFLELLHJKYBG-UHFFFAOYSA-N 427.530 1.290 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1748902154 BUDBBKARKONSCY-IBGZPJMESA-N 448.527 1.925 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CCOC[C@H]2C)CC1 1748999363 RPUCNVXNXSRLER-OAQYLSRUSA-N 438.576 1.641 30 10 IDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749098486 BIHZJXSMRDQQGK-CQSZACIVSA-N 448.325 1.665 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749210829 PEXZHRVMJPWKLX-CABCVRRESA-N 428.449 1.632 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1749236338 GQHINPVUFYQJDY-YSIASYRMSA-N 427.505 1.946 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749408389 IGAIQCBUQXXWED-UHFFFAOYSA-N 435.492 1.478 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1749528554 UYCCJFIVHXXKBE-GOSISDBHSA-N 438.532 1.994 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1749699434 LYPPICSDFSKTAJ-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnccc2OC)C1 1749711860 DACPOKYDAWHEPN-WBVHZDCISA-N 433.534 1.413 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1750085177 ZULUPVFDJZVYCP-IBGZPJMESA-N 440.504 1.901 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1750203339 CSNIFAYUZHZIGL-MRXNPFEDSA-N 441.517 1.499 30 10 IDEE Cc1nccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1751805153 NPZMDGUVIJAWEJ-RDTXWAMCSA-N 438.533 1.316 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1760128129 ZMBZWKICNBKKMZ-HFXUHXBXSA-N 439.516 1.726 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760145819 VXEHBTXCUANXMS-JKSUJKDBSA-N 438.598 1.433 30 10 IDEE C#CCCCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760153363 OQFPSMLEKDZENI-UHFFFAOYSA-N 426.565 1.899 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OCC)c(OC)c1 1760175895 UOTWWOXMAWHVAM-MRXNPFEDSA-N 448.545 1.714 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1760187543 JZXVYXKMIJTZGS-ZCNNSNEGSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCOCC1 1760197433 XAJKXQOKKLXTAK-UHFFFAOYSA-N 440.500 1.585 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760259869 HZKNHSWCVDHUML-OPAMFIHVSA-N 428.537 1.558 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)(C#N)CC1 1760518318 PYVDUDGANRMFQS-UHFFFAOYSA-N 432.492 1.353 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cnn(C)c1 1760558229 JPNQENFOHVTURP-CQSZACIVSA-N 438.464 1.800 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(F)(F)CC1 1760559230 KWKHMNXEAVNGGV-GJZGRUSLSA-N 434.509 1.838 30 10 IDEE C=CCSCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760568288 DWDLJPBKMCDLOC-APWZRJJASA-N 444.623 1.861 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1760653749 GNPMDDHECKYIIW-IBGZPJMESA-N 426.521 1.568 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1761466101 HEBKUGMWMKSAGV-KFKAGJAMSA-N 446.577 1.947 30 10 IDEE CCC[C@](C)(O)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1763754837 GWDOFEQHTZHANJ-IERDGZPVSA-N 428.541 1.742 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)C1 1767673368 GPMARFABPMXMBU-MRXNPFEDSA-N 448.474 1.973 30 10 IDEE CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1768453468 GJSAVNOZLSOZAH-UHFFFAOYSA-N 433.516 1.768 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cncn1 1768593155 KYDADWPSSFDQMJ-UHFFFAOYSA-N 437.508 1.371 30 10 IDEE CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)CC(F)(F)F 1768885101 CXYXWAVDFYQIJC-UHFFFAOYSA-N 435.454 1.979 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)C1 1770727595 HZFGCVVMOJLUGP-FOIQADDNSA-N 446.508 1.651 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@H]2CO)C1 1771529285 KSQDGYJBZSTNON-UGKGYDQZSA-N 427.528 1.943 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 1772793331 XKCWGLQDAAPCSO-AWEZNQCLSA-N 430.438 1.512 30 10 IDEE Cn1cc(N2C[C@@H](C(=O)N3CCCc4nc(C#N)cc(Br)c43)CC2=O)cn1 1850901476 XURJPWORMDRBCX-NSHDSACASA-N 429.278 1.782 30 10 IDEE C#CC[C@@H](C)C(=O)N=c1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2[nH]1 1852608759 JWDUFJJTWAJUJX-MRXNPFEDSA-N 436.491 1.825 30 10 IDEE C=CCC1(S(=O)(=O)N(Cc2cnnn2C)[C@@H]2CCN(Cc3c(C)noc3C)C2)CC1 1853408737 HOHFABUTKYGTJW-QGZVFWFLSA-N 434.566 1.935 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 1867797414 ZYJOUUSADQOFMP-IRXDYDNUSA-N 425.445 1.441 30 10 IDEE CC(C)N(CC(=O)NCC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 1868166292 XKXRPLFPQSBUQC-UHFFFAOYSA-N 432.477 1.851 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCN(CC)CC3)ncnc21 1873561977 HRACNRKSVTXQKI-UHFFFAOYSA-N 430.553 1.494 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cc(Cl)ccc2O)CC1=O 1874338313 PQPFNBVSSRCDIA-JZLQKHEKSA-N 436.925 1.821 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)CC1 1890354358 MAGYYQFTRSGWQW-UHFFFAOYSA-N 425.533 1.932 30 10 IDEE N#Cc1cc(I)cc(S(N)(=O)=O)c1I 2055359788 KTUPTEAZSRSKOI-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE C#CCn1ncc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2106094146 VWNNYALRRHFWQV-WCQYABFASA-N 427.299 1.279 30 10 IDEE C#CCn1ncc(NCCn2cc(I)cn2)c(Br)c1=O 2153472410 ARBVYJKHOZETIR-UHFFFAOYSA-N 448.062 1.552 30 10 IDEE Cn1nc(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2243384807 WRNGZZISOGOPJV-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2247822399 DUEAPVBQNQSXRU-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@@H]12 2248413317 VJQWYHGTMLFFGA-ZDCWMAILSA-N 436.343 1.501 30 10 IDEE CC(C)(C)OC(=O)N1CC(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(N)=O)C1 2254803722 DOTAOJDLVSDSSZ-UHFFFAOYSA-N 436.293 1.407 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2255818955 STNGGGSJMWJXKQ-NRFANRHFSA-N 436.314 1.992 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255871814 ZIKLMUVOQCLJGC-UHFFFAOYSA-N 435.330 1.340 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2256065234 XALNCXQOODXOIE-STQMWFEESA-N 430.314 1.371 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2259355098 KFKFCDXMCIQHCH-OLZOCXBDSA-N 435.334 1.147 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2267189759 FMEYOEXMQWILRI-HNNXBMFYSA-N 436.325 1.850 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267193072 ZLSUEZDCOQZBGE-HNNXBMFYSA-N 446.357 1.933 30 10 IDEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2267497116 JCNAOLXNZXXGLX-UHFFFAOYSA-N 443.275 1.948 30 10 IDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@H]2C2OCCO2)OC1(C)C 2267720555 MOBVRGKSVARUHX-AWEZNQCLSA-N 429.369 1.963 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2332883813 IVIFTKVOGMHTJA-HZSPNIEDSA-N 426.267 1.600 30 10 IDEE COc1cccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1OC 252637989 XYAAFVWDRQLRLU-UHFFFAOYSA-N 429.481 1.008 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CCO1 409482974 HBWHXBJXHPZEBP-INIZCTEOSA-N 449.451 1.424 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1ccc(C#N)c(Br)c1 433095645 FDIBIIYRZBSBKL-INIZCTEOSA-N 443.367 1.542 30 10 IDEE CCCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447283836 YRUJMDVNSHIJKW-UHFFFAOYSA-N 437.363 1.934 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 480606688 HUDOWCLTVJGETG-KRWDZBQOSA-N 431.967 1.429 30 10 IDEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)n2c1 506086258 OTDHMQQKSUAOJA-UHFFFAOYSA-N 439.526 1.717 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 508833905 RBCGAYRNVGSSSJ-INIZCTEOSA-N 447.609 1.890 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 512710555 VHMXNUJLGVPGAU-OAHLLOKOSA-N 449.349 1.248 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1Cc1ccccc1 532619996 KMRGLGXYGDZUGH-UHFFFAOYSA-N 427.888 2.000 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 533705806 BLNGQURTFHUNGK-UHFFFAOYSA-N 440.525 1.530 30 10 IDEE COc1ncc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(C#N)s3)c2=O)c(C)n1 540630132 IQIQQJFFIXKUJT-UHFFFAOYSA-N 438.534 1.587 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 544724405 KOLNCMOTJTWKMH-UHFFFAOYSA-N 441.575 1.805 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)n1 545504457 OCRRAMBCHVEGAF-IBGZPJMESA-N 435.557 1.546 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2C[C@@H]2CCCO2)cc1 549455848 PYASGVUVFFOJMX-FQEVSTJZSA-N 435.532 1.396 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 549690480 SESBQLWXBSXIPV-MRXNPFEDSA-N 436.607 1.843 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCCO2)CC1 550012534 ACMWIBZLSZAWNP-SFHVURJKSA-N 425.537 1.333 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](N=c2c(C#N)c[nH]c3ccc(OC(F)F)cc23)C1 553703829 CHCJQWDJEAFNBQ-CYBMUJFWSA-N 425.461 1.812 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 553747498 NWKWGMKKOCZJOC-KRWDZBQOSA-N 449.554 1.344 30 10 IDEE Cc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1C(=O)N1CCOCC1 564530797 FRSYMUVDJORXQG-UHFFFAOYSA-N 442.497 1.256 30 10 IDEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 585226886 FCDYJTJJSFXPBW-UHFFFAOYSA-N 427.396 1.367 30 10 IDEE C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)N1C(=O)NC2(CCCC2)C1=O 608813586 FWLNIJOJKDDLSZ-CZUORRHYSA-N 441.513 1.651 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608969941 OJWGLMKMFASPIK-AWEZNQCLSA-N 431.493 1.544 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1Cc1ccon1 610898355 WJNSXAOLUOSWSE-UHFFFAOYSA-N 428.539 1.554 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669803938 AQFUCFDVWPLHLP-MRXNPFEDSA-N 426.477 1.621 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729669786 BEHCIAVYSCNUHK-QFBILLFUSA-N 447.564 1.941 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730143093 TUXZHYYXRIHKNM-GOSISDBHSA-N 447.605 1.829 30 10 IDEE COC(=O)[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1ccc(C#N)cc1 740224155 FSNRBBFXQNKPSY-SFHVURJKSA-N 440.433 1.936 30 10 IDEE C[C@H](CC(=O)NS(=O)(=O)[C@H](C)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 744167244 ZJTMZFLSHAZZPL-ZIAGYGMSSA-N 435.527 1.711 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)cc1 747103321 JOPRVBLOYFPVTG-UHFFFAOYSA-N 429.502 1.463 30 10 IDEE COc1ccc(-n2cc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)cc1 758584322 PXWAEVHQABQAMW-KBXCAEBGSA-N 441.492 1.834 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 767864195 NTPJEFHLEYPBDI-QHCPKHFHSA-N 428.533 1.320 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 769611620 BATZUPSYPVDYMQ-NIVDNSEKSA-N 425.407 1.889 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1C 782838632 LLDKQKJZEIOHNJ-MRXNPFEDSA-N 444.565 1.027 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1OC 800706897 JJVJCGGMHGOLIJ-BBWFWOEESA-N 438.550 1.893 30 10 IDEE Cc1cc(C#N)cc(N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)n1 804357477 DFZSOTYUIBHLBS-UHFFFAOYSA-N 434.543 1.485 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nnc3n2CCCCC3)C1 915099233 MREARPBQNIEXLS-HOTGVXAUSA-N 446.533 1.887 30 10 IDEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c2C)n1 916179634 JHFVJLSKPVVGCG-UHFFFAOYSA-N 438.513 1.956 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nnc2n1CCC2 918648505 ZSNSJSRFWWKQME-UHFFFAOYSA-N 430.534 1.182 30 10 IDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCCc3ccccc3)n2N)cn1 1084579799 HUXDKGMRLUIFNG-UHFFFAOYSA-N 427.538 1.666 30 10 IDEE COC(=O)CC1(NCC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CCS(=O)(=O)CC1 1116727535 WTSAMHDVQIOCSY-HNNXBMFYSA-N 442.497 1.324 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3cnc(I)c(O)c3)CC2)c1 1141312344 HACIAXJAJLUPMM-UHFFFAOYSA-N 435.225 1.621 30 10 IDEE C=C(C)C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)OC 1151604107 FSAMCYYDSGRPLC-INIZCTEOSA-N 436.534 1.380 30 10 IDEE C[C@H](CC(=O)N1CCCC[C@H]1CCn1ccnn1)/N=C1/NS(=O)(=O)c2ccccc21 1159291551 QQJZXMZJJLXUFU-CVEARBPZSA-N 430.534 1.567 30 10 IDEE COC(=O)Cc1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1168112023 CBBJSPGRRQIFGH-CQSZACIVSA-N 429.498 1.536 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 1190520618 VBERODMKJYTDMC-UHFFFAOYSA-N 440.525 1.713 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286301009 ZOGKGJKUNKKGFS-IHPCNDPISA-N 442.589 1.926 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1286386890 JAFXYOGONRLGQH-KRWDZBQOSA-N 442.520 1.916 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1286423791 WKMKIEIRMALCBU-HSZRJFAPSA-N 427.549 1.827 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1286461386 RXYCUNKCGSTAKB-UHFFFAOYSA-N 430.553 1.391 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCN(C(C)=O)CC2)CC1 1286469771 KVOCUHNIUUHAKB-UHFFFAOYSA-N 443.596 1.210 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCNC(C)=O)CC1 1286473083 HSJAAAGXPVQSCX-UHFFFAOYSA-N 426.521 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)cc2)CC1 1286491353 OECKYWVDKDCSHN-UHFFFAOYSA-N 436.560 1.691 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 1286537364 ABWQRVOXAOOUCV-CYBMUJFWSA-N 438.330 1.132 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CC(N)=O 1286546369 IUNXUUJCJAZIKZ-MPGHIAIKSA-N 427.509 1.607 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)CC1 1286650980 OAIXMOMLLJJQEV-MRXNPFEDSA-N 427.596 1.665 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N2CCOCC2)nc1 1286731639 RQPRXXFOEVZEND-ICSRJNTNSA-N 428.537 1.904 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccsc2)O[C@H](C)C1 1286791028 RVSRYMBZAGBHDS-NVXWUHKLSA-N 444.561 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC)C1 1286820728 PYYSUFNEQBEOLX-JKSUJKDBSA-N 430.596 1.407 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOc2ccccc21 1288868659 CLAJLBZJPPVVQO-ARFHVFGLSA-N 446.533 1.183 30 10 IDEE Cc1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290804131 OQWFLKVGNVHZKQ-KCQYIYACSA-N 426.452 1.350 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 1292889872 MVGDWRFCSVZRDT-UHFFFAOYSA-N 447.461 1.848 30 10 IDEE C#CCCN1CCC(NC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1293932246 ISVWFCAMAVPDQZ-LJAQVGFWSA-N 425.595 1.739 30 10 IDEE CCN(CCC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1295796414 ATMTWDUAXDFFIX-MEUCICPISA-N 427.509 1.382 30 10 IDEE CS(=O)(=O)c1ccc(NCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1296292388 GLLBRPZOIAMJHY-LJQANCHMSA-N 426.498 1.685 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1300308122 MIJFISBZJLISOK-OLZOCXBDSA-N 438.351 1.844 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1300454905 BHEWKXHTYRETDL-HSZRJFAPSA-N 436.516 1.940 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC1 1300559468 QEGKIPAKGOLKEC-HSZRJFAPSA-N 427.549 1.258 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2nccs2)CC1 1300685219 JMGDSBSHKPULHY-NRFANRHFSA-N 430.578 1.775 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CCOC)CC1 1300710434 AUXHLAHYNSDAPN-UHFFFAOYSA-N 444.580 1.543 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(CO)c2)CC1 1300724843 CSUZMYQRCOBOEQ-NRFANRHFSA-N 437.544 1.679 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1300875484 PHLKMHSIEDCUOL-UYAOXDASSA-N 446.596 1.699 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300898241 WMUOHOTUHSYOHT-HBFSDRIKSA-N 433.553 1.623 30 10 IDEE C=CCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1301258997 CLFZNALSXZISAK-FQEVSTJZSA-N 438.532 1.894 30 10 IDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1301260194 XYCQRUNTVVGZRE-HXUWFJFHSA-N 438.532 1.842 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1301424371 JXCLTNNXJLZIRP-DLBZAZTESA-N 440.566 1.362 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccco1 1301584541 BORVSQLWUGPJNF-UHFFFAOYSA-N 433.490 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(OC)CC1 1301585139 HYIDPDPBRWVDCL-BEFAXECRSA-N 425.555 1.225 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2F)nnc1N1CCC(CO)CC1 1303096227 QDBNBXOQGGKLRF-XUTLUUPISA-N 440.479 1.819 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1303974324 ICNANIUFRXTWFO-UHHPSXQGSA-N 430.509 1.314 30 10 IDEE Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304813843 PSERUVVDRFLIOI-UAFUQJIBSA-N 449.515 1.602 30 10 IDEE CCN1CCN(c2ccc(Cn3c(-c4cnccn4)nnc3N(C)C[C@@H](C)C#N)cn2)CC1 1313932141 GGBWVCMAOYBUFF-SFHVURJKSA-N 446.563 1.916 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)c2ccccc21 1314897825 BTKTWWWEOIXFBK-HNNXBMFYSA-N 443.533 1.105 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1315040138 BJTBXTQYMWWLHR-UHFFFAOYSA-N 441.536 1.463 30 10 IDEE Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCCS(=O)(=O)c1cccc(C#N)c1 1320147083 HMJWJKLRYXACRK-CQSZACIVSA-N 440.572 1.230 30 10 IDEE C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCCCC2 1321818195 KXYGFRURJIOORQ-RHSMWYFYSA-N 435.488 1.959 30 10 IDEE C#CCCCn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1358935484 KDEJSOXMFBJDRC-MBOZVWFJSA-N 426.583 1.990 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1359035603 YMZCWOINKDUXPB-FGZHOGPDSA-N 449.603 1.850 30 10 IDEE C#CCSCCn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1C(C)(C)C 1359061860 OBKKULHPUGHFSZ-UHFFFAOYSA-N 445.593 1.999 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359227580 FMOONHDCQDNOLX-QZTJIDSGSA-N 447.561 1.826 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359329454 JIMROIHHDXFRAX-LJQANCHMSA-N 442.545 1.648 30 10 IDEE CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1359453231 FLZXLERMEIQLMF-CQSZACIVSA-N 431.928 1.984 30 10 IDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCOCC1 1460785010 DASFXQOTYQAFGF-INIZCTEOSA-N 443.548 1.241 30 10 IDEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)CC1 1465153812 BQPRPLSJPRNROJ-UHFFFAOYSA-N 434.562 1.919 30 10 IDEE C#CCSCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1469000919 AJADTFUGMWIWSA-IAGOWNOFSA-N 436.578 1.747 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CCCS(=O)(=O)N2CCCC2)c(=O)c1C#N 1472553517 DLDRVNRDMUONKT-UHFFFAOYSA-N 445.339 1.375 30 10 IDEE CO[C@@]1(Cn2c(-c3nn(C)c(=O)c4ccccc34)nnc2N(C)[C@@H](C)CC#N)CCOC1 1504048124 GLNXWKUOINUFOI-OYHNWAKOSA-N 437.504 1.736 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2cccn2)CC1 1507725862 BQRLJJZSXMXXJV-UHFFFAOYSA-N 438.561 1.312 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C(=O)NC 1507751236 LRZZHZQANOSNMN-MAUKXSAKSA-N 429.546 1.975 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507839790 HFQHHGBTGPEOJO-MRXNPFEDSA-N 437.508 1.180 30 10 IDEE C=CC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1507899302 AGYGGYRCNULAPU-UHFFFAOYSA-N 447.543 1.949 30 10 IDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507951930 JNVOJHLDSRGVRQ-INIZCTEOSA-N 432.550 1.577 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1508072552 QSWLHKASBWEOHO-JOCHJYFZSA-N 448.568 1.273 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1508133628 KZTJLFKJPWNWBT-HUUCEWRRSA-N 444.579 1.705 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCC[C@@H]1C 1510155424 HXAQAZOHIQQATF-IRXDYDNUSA-N 445.593 1.881 30 10 IDEE CCOCc1nnc(N(C)C2Cc3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516449153 NCTHQGKEXPEMDP-QURGRASLSA-N 436.516 1.945 30 10 IDEE CN(C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1517068853 AXDBEUSOENULOF-UHFFFAOYSA-N 444.521 1.052 30 10 IDEE C#CCO[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1517355896 IGFODGKBIRKQCW-ZDUSSCGKSA-N 426.254 1.614 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1519518260 ZGJMXOFIFASAAA-KRWDZBQOSA-N 430.534 1.343 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1524653300 QRETZHDIWCBOCX-CQSZACIVSA-N 433.452 1.408 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCC(S(C)(=O)=O)CC2)c1 1528412314 MOGHNUKVBLNWHM-UHFFFAOYSA-N 432.542 1.463 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539211933 LWEONNFOFFGIER-WQIZZMQYSA-N 436.559 1.384 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1539218829 DXNYNOYSYKFYFV-LTIDMASMSA-N 440.591 1.168 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@@H]1C 1539296927 WBZSWMYRQXZXAZ-GBESFXJTSA-N 435.594 1.947 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1539333324 AKIVCNNEXGDSEV-UHFFFAOYSA-N 442.483 1.345 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1539430342 JCIOEOAWHZPEHS-CNNODRBYSA-N 433.553 1.095 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)CC1 1539446440 ZOZUUYVBYVFYCM-MRXNPFEDSA-N 429.912 1.112 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1540043164 XMZOYBGSFALONN-LJQANCHMSA-N 440.552 1.963 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCCCC1 1540864612 GBPJALHZZCEQTP-UHFFFAOYSA-N 446.577 1.878 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1540868575 JTFCDFRDYDYABG-UHFFFAOYSA-N 435.488 1.617 30 10 IDEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1542667003 MOIKEVOMFYZJMQ-WBVHZDCISA-N 425.493 1.750 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](OCCN4CCOCC4)C3)n[nH]2)c1C 1545512636 LHCQVUKPNDSVPS-SFHVURJKSA-N 428.537 1.639 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1556457495 HLWXUGCUBYCXKW-IAGOWNOFSA-N 445.582 1.192 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c1C#N 1556842469 IQMVVAOHQQRPEQ-QAPCUYQASA-N 440.447 1.783 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1558643320 SIRSBBSHBHWQDO-GCKMJXCFSA-N 437.562 1.810 30 10 IDEE C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COP(=O)(O)O 1565504200 JDOZJEUDSLGTLU-RZFKUJCJSA-N 440.429 1.675 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)CC2=O)cn1 1566351151 FGTZUDMWYJEBIJ-KRWDZBQOSA-N 433.472 1.461 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1588050362 RSZPOJMJODLVET-CUYAVPTFSA-N 446.577 1.511 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588053256 BTDYNDZVWVPRJZ-ZWKOTPCHSA-N 445.520 1.238 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)Cc1cccc(F)c1 1588158817 KHRDHWDJHIPKKC-UHFFFAOYSA-N 447.518 1.711 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCC(F)(F)F 1588174198 SMLWSKXPWHTENG-UHFFFAOYSA-N 426.443 1.338 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1588263592 VLWKOAHTFHPWMK-LJQANCHMSA-N 446.529 1.017 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)NCCC)CC1 1588955252 TWCOLXBJIGXKPO-UHFFFAOYSA-N 437.548 1.146 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1595303295 PRWMCPDFAGTXTI-MRXNPFEDSA-N 434.518 1.596 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595569535 ISSKBRDNGDWSTA-PKOBYXMFSA-N 438.532 1.259 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595784927 NZDIUPQADPYIGO-AEFFLSMTSA-N 434.566 1.031 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 1595811936 HMCIBKBBPVXLDN-UHFFFAOYSA-N 449.577 1.700 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCc2c(nnn2C)C1 1611255044 FOWCULXREWWPKM-GFCCVEGCSA-N 434.294 1.900 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1611302311 GNHJCGMLUYNSMA-WMLDXEAASA-N 430.534 1.560 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CC(C)(C)O 1612884898 IAEXKNLAXRWEAZ-HZPDHXFCSA-N 426.525 1.320 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3c(C)nn([C@@H](C)CC)c3C)[nH]n2)CC1 1615209395 PLPXNNOORKBASZ-INIZCTEOSA-N 439.564 1.758 30 10 IDEE COC(=O)CN(CC#N)C(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1618330793 RVLFXAKWFOAKAV-MRXNPFEDSA-N 430.461 1.603 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1620357984 XANHPHQNJOXYKD-LSDHHAIUSA-N 429.493 1.734 30 10 IDEE C=CCOC[C@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)C(=O)OC 1626204759 LUBAJAAOANKVAZ-HOTGVXAUSA-N 427.295 1.877 30 10 IDEE C=CCN(C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)[C@@H]1CCS(=O)(=O)C1 1626456226 ICLZWXQKPJDJKP-AUUYWEPGSA-N 432.514 1.164 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)CC1 1626966609 JBAYSMJYVXAAOM-ZJOUEHCJSA-N 446.592 1.696 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1637389988 OTRAGVDYHYTBIJ-INIZCTEOSA-N 438.322 1.720 30 10 IDEE C=CC[C@]1(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)CCCN1C(=O)OC(C)(C)C 1637641187 BVSPUQSNHKDRTR-GQIGUUNPSA-N 428.551 1.747 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(n2nncc2I)CC1 1641462597 AFDZVPIIFJQBNM-UHFFFAOYSA-N 438.229 1.641 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 1643920031 VKHQGVLFBRDPKB-MOPGFXCFSA-N 444.582 1.716 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 1644588192 YZTVPBCVNRTCNA-KRWDZBQOSA-N 444.444 1.860 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1645274224 NNRWQYFMDBCJLP-VQIMIIECSA-N 434.518 1.352 30 10 IDEE C#CCOc1cccc(Cl)c1CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1651823153 OIRPOAISULINGO-IRXDYDNUSA-N 441.981 1.824 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1 1655730815 VLKINUKFSGHUQI-UHFFFAOYSA-N 440.525 1.843 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@H]2c2ccccc2)CC1 1656274576 IVIKIFPJYJJGSY-SFTDATJTSA-N 432.590 1.541 30 10 IDEE CC1(N2CCOCC2)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1659720442 WXUKKMYZANXQAF-JOCHJYFZSA-N 443.567 1.721 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 1661232860 RQTVUZNBCAFBEG-UHFFFAOYSA-N 441.351 1.555 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCCCC)c(OC)c2)CC1 1666337022 OQBRSGPQRBIEMY-UHFFFAOYSA-N 438.550 1.169 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)NCC3(C#N)CCOCC3)cn2)CC1 1670277859 BVRLSOOYKNZAAB-UHFFFAOYSA-N 445.524 1.976 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 1676350238 FDGAAWNIVLNJSE-RDTXWAMCSA-N 425.532 1.805 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1677044891 IAXDKJFTZRBWHE-UHFFFAOYSA-N 448.545 1.850 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1685266452 AWZCCYOCJGPURN-ROUUACIJSA-N 448.564 1.716 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1689932296 XBQJXZFXXZMTQG-VQIMIIECSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1689977783 CTIRXUPDGUDING-MRXNPFEDSA-N 428.518 1.518 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1690019564 LVCMNAXXWSYFGK-JOCHJYFZSA-N 435.528 1.976 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)OC)CC1 1690137812 JKOLVCOSJBQHBN-QFIPXVFZSA-N 433.553 1.321 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690246674 WBXAGZFZXQWDCO-LNLFQRSKSA-N 444.580 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690721106 XOUIOJGQCKJBAK-KRWDZBQOSA-N 444.561 1.410 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1693248494 GLLOBLZZBVULKG-IAGOWNOFSA-N 430.534 1.264 30 10 IDEE CCCN1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1695362633 CSJBBWUNJZVYEM-IAGOWNOFSA-N 443.577 1.730 30 10 IDEE COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1698070632 HYGUGIQLRHNBHD-SFTDATJTSA-N 440.548 1.842 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1698201616 XQKJDLUGWZXUHI-IBGZPJMESA-N 426.521 1.927 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(N2CCOCC2)CC1 1705540612 HKCSORMFFKPSME-UHFFFAOYSA-N 442.951 1.796 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)c(F)c1 1705549832 JVHJLKFTHXMQJI-UHFFFAOYSA-N 438.463 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCC1 1705580932 UFCFSKDRHZMYLG-UHFFFAOYSA-N 429.528 1.844 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1705584191 AGKTUBGBPYKAPX-UHFFFAOYSA-N 433.537 1.983 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OC)c(OC)c1 1705585471 SZADDEDMTWIOCV-UHFFFAOYSA-N 437.500 1.547 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1705587902 NSAVNTXZGJRZHL-QKNQBKEWSA-N 441.576 1.764 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1COCCO1 1705607249 WUEZVNMNFCAIFV-SFHVURJKSA-N 447.561 1.460 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CC 1705622585 MTFWAUJNBQZJND-NRFANRHFSA-N 448.593 1.794 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)COC)CC1 1705700149 PGNNZNQPVSZXIT-LPHOPBHVSA-N 427.509 1.011 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1705729992 DYUWVYHVDYHDME-QFBILLFUSA-N 429.587 1.876 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)OCO2 1705844014 UGWTYPZCBHSAMA-QGZVFWFLSA-N 435.506 1.010 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1705897316 KCVSJSDFJCTHOS-SPLOXXLWSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1705903532 XOELKWYFRYBHTD-JKSUJKDBSA-N 445.524 1.906 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cnnn2)C1 1705916684 MQJBVLOHINXYDD-CQSZACIVSA-N 448.329 1.894 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN1c1cnn(C)c1 1706851917 NFFJBYLCVNNXAV-HRCADAONSA-N 449.585 1.029 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCCC2=O)CCOC1 1710482075 AEJAZFYNHXKUIQ-GCJKJVERSA-N 446.552 1.452 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCOCCS(C)(=O)=O 1711072830 KFDZVDXRWSSXCE-IBGZPJMESA-N 447.561 1.741 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCOC[C@@H]1C 1712560769 AKAFAMYBANMFJD-HLNWXESRSA-N 432.569 1.851 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1722296118 ZXXCLZFZVIFQDZ-LBPRGKRZSA-N 429.431 1.031 30 10 IDEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722335217 QJPCPYDOVMFTCS-UHFFFAOYSA-N 448.571 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1722389398 GKXIDNXUNMMMKE-MRXNPFEDSA-N 447.536 1.685 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn(CCCC)nc2C)CC1 1722429509 MVFDLKMCEQWJHJ-UHFFFAOYSA-N 426.569 1.525 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)N2CCOCC2)CC1 1722440150 DMUGSSTXZLSCGU-NRFANRHFSA-N 438.576 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCn2cccn2)CC1 1722449485 TUAQNLXTDHXWJA-UHFFFAOYSA-N 432.532 1.517 30 10 IDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1722635523 YWVFIEILZBYUML-APOCOGJHSA-N 430.509 1.467 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722699706 MQMQBYPZUGUJPJ-KSFYIVLOSA-N 429.496 1.694 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1722700379 GWAXOWYTCKLMQC-UHFFFAOYSA-N 449.490 1.558 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@](C)(C(N)=O)C1 1722706028 LJFHKRLWNOJOEO-QFIPXVFZSA-N 426.521 1.423 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1722726861 CNBCHPJESULQFC-HNNXBMFYSA-N 427.571 1.887 30 10 IDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1729365611 NWPCAKUDWXIONV-ZBBYCGENSA-N 439.545 1.732 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)CCO1 1729680771 HVDFUPVUSFVZLW-LJQANCHMSA-N 434.504 1.134 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1740617073 LIPSFMAJBJURAZ-LAUBAEHRSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740627866 SXUWOPRQWLRUOD-ZWKOTPCHSA-N 432.550 1.123 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCC1 1740637701 BHPVTSGNZORNEN-UHFFFAOYSA-N 429.528 1.751 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1740661717 IKGMFOFVEKIWRY-QGZVFWFLSA-N 445.593 1.781 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2CCS(=O)(=O)CC2)CC1 1740697019 OGIVMJKBHMLSJX-UHFFFAOYSA-N 445.564 1.588 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(OC)CC1 1740985820 MJWGUSISBZRLFU-LJQANCHMSA-N 427.571 1.413 30 10 IDEE CC[C@H](C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1743848499 CGLGUSPRTIAAKG-KUOYXJDGSA-N 429.525 1.628 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749048070 HZKJIFGWPAHBJQ-IBGZPJMESA-N 448.637 1.704 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749126652 FLSUWNYYSHGEHF-YTQUADARSA-N 446.577 1.791 30 10 IDEE C=CCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749440387 ZKRWXNSMTFUVLY-IBGZPJMESA-N 427.571 1.367 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1749670936 XMMMGJVWDLXQFR-MSOLQXFVSA-N 433.553 1.496 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1749671208 ZSCBVSGKFNCDLT-OALUTQOASA-N 443.573 1.785 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(C)=O)CC2)cc1 1749683151 KOGWATIXLLSIFC-UHFFFAOYSA-N 438.532 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749727194 PHDFQHBIKPXAOK-OAQYLSRUSA-N 445.545 1.413 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1O 1750335911 JZBWOLXQOXFUQH-MNEFBYGVSA-N 429.546 1.991 30 10 IDEE Cc1ccn2cc(Cn3c([C@H]4CCS(=O)(=O)C4)nnc3N(C)C[C@@H](C)C#N)nc2c1 1751440286 DBCOCYXUYPOOFN-HOTGVXAUSA-N 427.534 1.781 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760157449 PLJGJZRQCHMGFM-ICSRJNTNSA-N 441.580 1.921 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760204194 HLGCMIJAJITTRV-XMMPIXPASA-N 440.551 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2scnc2C)CC1 1760264990 JXHGGBZFWOCNBF-UHFFFAOYSA-N 443.577 1.390 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCN(C)CCOC 1760293665 ADPSYUUYAWOIKH-JOCHJYFZSA-N 428.537 1.966 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1760525649 MKBKIZQRSPAFDI-DEOSSOPVSA-N 432.528 1.972 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(C)(C)C)CC1 1760555747 MHEHIJYNAYBEFH-INIZCTEOSA-N 438.598 1.141 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1763033989 ALIYSFALDRGROE-RDJZCZTQSA-N 442.545 1.308 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C#N 1766719487 WAVLRZBHGSQFKF-YJBOKZPZSA-N 448.549 1.716 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1768663778 GMQOGRCNIFSJOK-CABCVRRESA-N 442.476 1.032 30 10 IDEE CS(=O)(=O)CCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771354122 GPZRULMCONCVIQ-QGZVFWFLSA-N 434.591 1.542 30 10 IDEE Cc1nccn1-c1cc(N2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)ncn1 1852653600 UVKVWTIZMZBNKL-UHFFFAOYSA-N 431.456 1.462 30 10 IDEE C=CCN([C@H]1CCCCN(C(=O)Cc2cn3ccsc3n2)C1=O)[C@@H]1CCN(C)C1=O 1854144929 ZOJXXNIZSBAWLQ-DLBZAZTESA-N 429.546 1.565 30 10 IDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)c1 1854658214 DYBPGIRKFAQDMC-HNNXBMFYSA-N 427.482 1.558 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1C#N 1855716174 ZANAEKBSAQLXOP-IBGZPJMESA-N 429.542 1.899 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)COc3ccc(Cl)cc3)C2)CC1 1857020975 YPQOTCJYCWRXCG-HNNXBMFYSA-N 439.921 1.659 30 10 IDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)c1 1858328747 PNKHYTJADKNTLG-GOSISDBHSA-N 438.509 1.878 30 10 IDEE CCCCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN(CCO)CCO 1870667739 JIHCDWCCOMXJQG-UHFFFAOYSA-N 425.570 1.640 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3CCN(C)CC3)ncnc21 1873591702 OTMZIWDZZJOKKY-UHFFFAOYSA-N 425.537 1.111 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874432528 KJBKWGBQSXWKNO-DNTJNYDQSA-N 435.466 1.029 30 10 IDEE CN(C)CC#CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1 1891259069 FOSDPANTQRKXFJ-FQEVSTJZSA-N 433.961 1.911 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 1985011516 OLFVZBIWLNSDCG-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060625141 HIJKQXBQBBOOMI-CQSZACIVSA-N 436.293 1.919 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2224092017 DWODHQOPWFLONR-OAQYLSRUSA-N 433.314 1.939 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2248432980 DBVQVBVTMMPGOY-UHFFFAOYSA-N 439.343 1.352 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255598661 YAALARBAVGMQAW-AEGPPILISA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2255620770 ZMGOSMBMNHDZFZ-CABCVRRESA-N 437.346 1.664 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255622899 GVGAZBBNOPSRHL-UHFFFAOYSA-N 434.346 1.658 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255626434 GFXLBLZCGFCGMM-KBPBESRZSA-N 432.330 1.552 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2255694832 URGHISYRYFACBL-NRFANRHFSA-N 437.346 1.330 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2255697773 DKEUVKMTSSTZAN-ZDUSSCGKSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256670867 KWCPFXBKIVYCAH-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)n1 2267183825 ISAIHKBQFKYFQM-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE C[C@H]1C[C@@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2267265733 JZLPJXOWGDSYJQ-FUHWJXTLSA-N 439.369 1.849 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267492121 OEFYTUNIDXOLKG-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267507457 OMJPQFVERZJCHJ-FVQBIDKESA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267609540 RUBUEKXQLGTHDR-WOWRSWPSSA-N 444.341 1.951 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 2337181772 QYBWFYGLOYJLBT-LSDHHAIUSA-N 446.357 1.801 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 2337297095 RFZMNKUVXUIQQM-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE COc1nc(N2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786175 HMSCCPJZUWBDDP-HUUCEWRRSA-N 449.357 1.854 30 10 IDEE COc1cccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72444307 RWHMGNISZFMFHK-HZPDHXFCSA-N 437.456 1.346 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 460611650 WGWPBRSQIQHYGF-APWZRJJASA-N 430.468 2.375 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 478742886 FLUUBCGZEOBQKB-HOTGVXAUSA-N 430.551 1.649 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)nnc1-c1ccco1 482181418 LVQIZXIFJBRBOP-ZDUSSCGKSA-N 425.536 1.356 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 508809011 JQKNFBAXBSYOIY-INIZCTEOSA-N 432.550 1.260 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(NS(=O)(=O)c2cccs2)CC1 508826418 ISZMHWJRUGDBDO-HNNXBMFYSA-N 439.563 1.561 30 10 IDEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508845852 PJRVONCFBTXVDL-UHFFFAOYSA-N 442.951 1.979 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 520840232 FYCLOIPIRSGPDS-FUHWJXTLSA-N 445.589 1.936 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(Cc4cccc(O)c4)CC3)C2=O)cc1 531019370 DVYHTJWXRGPXBB-OAQYLSRUSA-N 447.495 1.813 30 10 IDEE CN1Cc2ccccc2[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 534559318 GYXGLBFWFPTFNR-HXUWFJFHSA-N 439.541 1.761 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542218383 JTQDXVVXNSUYIP-UHFFFAOYSA-N 441.582 1.842 30 10 IDEE CC(C)C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 544831873 KWLSXOIMJDZQOJ-ZCNNSNEGSA-N 435.528 1.968 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)CC1 546175147 JCDZEGRXXITXSE-UHFFFAOYSA-N 434.548 1.522 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@H]2CCOC2)cc1 559239776 FIUGHOSNGQPOPM-LJQANCHMSA-N 446.515 1.882 30 10 IDEE CCOC(=O)[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)Cc1ccccc1 609091557 CHYQKJMFEDDHDE-IBGZPJMESA-N 443.525 1.949 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@@H]2c2ccco2)CC1 609739641 HNRYULMSBYOBAV-GOSISDBHSA-N 444.513 1.058 30 10 IDEE CS(=O)(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 619850159 TXIAYBIDCRQBAF-ZWKOTPCHSA-N 430.534 1.514 30 10 IDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669817516 OTZYXTMLSWECGX-CYBMUJFWSA-N 443.371 1.750 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 731862209 AEOHKTRWKFXDQW-ZFDMEJTGSA-N 447.289 1.445 30 10 IDEE COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732706368 NMSRAVPJWHUCQD-QGZVFWFLSA-N 425.489 1.211 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 734808530 PDPDGARCVUOQCB-HXUWFJFHSA-N 446.548 1.707 30 10 IDEE COCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735225392 IVOWBXYXRCNPJI-KRWDZBQOSA-N 436.534 1.451 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 756896089 ZBAMVONJDATWKD-DOMZBBRYSA-N 427.910 1.989 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 759915523 DSJUUZJRJVEULF-HLNJFSBGSA-N 449.577 1.828 30 10 IDEE CCCCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1 760400022 FKYSJCPUAGSLLI-UHFFFAOYSA-N 433.596 1.748 30 10 IDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C)[C@@H]1CCS(=O)(=O)C1 774034140 FNSJHOIBBZYKJL-MRXNPFEDSA-N 441.575 1.678 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)s1 794578255 AEGOVQLKTYNBJQ-CABCVRRESA-N 445.566 1.353 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 805591679 XWTOFOJGWJLCDF-OALUTQOASA-N 446.523 1.540 30 10 IDEE C#CCN(c1nnc(CNC(=O)OCc2ccccc2)n1CC=C)[C@H]1CCS(=O)(=O)C1 809914817 OOEZKHRGBSOJFD-SFHVURJKSA-N 443.529 1.517 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)ccc1F 914658966 VBVHAYVUYAPFDM-UHFFFAOYSA-N 439.509 1.190 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 917866735 KONFUVWLDKHDLY-UHFFFAOYSA-N 439.419 1.965 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1135819924 KTKBPTRKLFBKFF-IRXDYDNUSA-N 429.583 1.567 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H]2CCCC[C@H]21 1146320985 VYOHFKYMOCGUBA-FZDIXFNVSA-N 433.530 1.805 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)cc2C1=O 1155822944 GDVDORNIZOSUOT-UHFFFAOYSA-N 436.346 1.223 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O 1163156782 AMPOJBYDMYYNQC-HOTGVXAUSA-N 434.562 1.655 30 10 IDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1164624894 CELYLCDKZUYCNN-YOEHRIQHSA-N 437.518 1.232 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC(NS(C)(=O)=O)C1 1167138553 SFPAFVLMKRTLST-KRWDZBQOSA-N 434.518 1.153 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1197319810 GPILPRBKHXZGTM-ZIAGYGMSSA-N 446.323 1.579 30 10 IDEE COC(=O)c1cn([C@@H]2CCCN(C(=O)Nc3ccc(Br)c(C#N)n3)C2)nn1 1219696448 DEPGQXLTNXHAOW-SNVBAGLBSA-N 434.254 1.963 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)c(=O)nc1O 1235705133 MVDJTDRVSNWPPF-SOUVJXGZSA-N 430.262 1.221 30 10 IDEE N#Cc1ccc(CC(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)cn1 1264237548 MCBWWGILPNNXNF-UHFFFAOYSA-N 439.497 1.656 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1286268598 AESNSNBNBUYOQO-INIZCTEOSA-N 429.546 1.565 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1286335180 GIQHFEBIBMRTNQ-MRXNPFEDSA-N 427.505 1.901 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286361914 UZJDOBJYLPYFBT-KKSFZXQISA-N 448.545 1.436 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286391961 KCYKMNYZFXOCIY-HXUWFJFHSA-N 438.557 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1286427904 HRZNGJGPKUKDMN-UHFFFAOYSA-N 448.552 1.683 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1286442598 GEOOFXMPNUETSN-KRWDZBQOSA-N 436.516 1.847 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286606133 HTMLNJQVVMVKFW-GOSISDBHSA-N 432.569 1.905 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2cc(CO)nn2)CC1 1286651442 DZDXAOZJTOOHRT-UHFFFAOYSA-N 437.508 1.502 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286818871 QYPUMNARZDELNA-LAUBAEHRSA-N 449.577 1.659 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@@H]1C 1296164729 BLCMVXOARUILQG-KRWDZBQOSA-N 425.537 1.784 30 10 IDEE C#Cc1ccc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 1298092992 NNRHESURACSORT-QYZOEREBSA-N 432.542 1.954 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1298537224 YEVUNQXPYGVVHK-IBGZPJMESA-N 447.561 1.883 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300575180 SPASHSXCALRKNZ-SFHVURJKSA-N 447.465 1.851 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCO1 1300875728 QAGMDZKDCUOULV-HZMVEIRTSA-N 427.571 1.485 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC[C@H](O)C2)CC1 1301085787 AHALFDAPQLWIIU-BZSNNMDCSA-N 439.582 1.319 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(N)=O)C1 1301482343 VOCPEGNLFHFGBJ-KGLIPLIRSA-N 432.912 1.685 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)C(C)(C)C)C1 1301566067 JPLDTEIFKUEOLN-MRXNPFEDSA-N 439.582 1.395 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1301567053 FJNVCCMUVNUFAI-QZTJIDSGSA-N 449.552 1.959 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1302151253 LACSEGORVDPKMP-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE CC(C)(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1302308942 IAJSBOYZJGPSIH-MRXNPFEDSA-N 440.570 1.166 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@]3(C)COCCO3)CC2)c1C#N 1304731212 NIGUFROXHPOYLN-NRFANRHFSA-N 428.541 1.447 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)C2)c(=O)nc1O 1305589291 GHJYJEFBBICZNC-UHFFFAOYSA-N 430.346 1.722 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1306193908 HVLMLQWAOPJBST-FQEVSTJZSA-N 438.580 1.791 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC(O)(c3scnc3Br)CC2)nn1 1312898263 KAYMFEMPRMOVMO-UHFFFAOYSA-N 427.328 1.876 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 1313281178 UMCKAVJMBQTVJZ-ROUUACIJSA-N 428.537 1.934 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS2)CC1 1316354021 CMEOEQRNXVIZEX-QGZVFWFLSA-N 432.575 1.794 30 10 IDEE N#Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCS(=O)(=O)CC2)o1 1316531496 PRURNEUXADPUTN-UHFFFAOYSA-N 433.440 1.895 30 10 IDEE C=CCO[C@H]1CCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1320076738 IMGMIQFWWIAITG-SFHVURJKSA-N 444.557 1.960 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C 1358876232 FNBCHAHCCGWKHT-HNNXBMFYSA-N 441.561 1.744 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(=O)(=O)CC 1359005727 SYCKJMOJUSHTDE-UHFFFAOYSA-N 433.534 1.505 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCOCC1 1359006757 ISCWTCKRFWBMSL-UHFFFAOYSA-N 446.577 1.629 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1359024311 KMZSDVJUFQDFTQ-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nnc3n2CCCCC3)CC1 1359030269 RUVCUBPSTUVVSC-SFHVURJKSA-N 442.568 1.124 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(O)CC(OCC)C2)CC1 1359047017 NSVVEZWSZZZSNG-UHFFFAOYSA-N 443.592 1.907 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359056501 GNCWIXUCEFCRIJ-UXHICEINSA-N 432.638 1.755 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1359303424 NTJTZNOXHYANEX-UHFFFAOYSA-N 430.597 1.862 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(=O)NC)c2)C1 1359310910 KVTATFDFHHKTNH-LJQANCHMSA-N 438.532 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359331849 JFGSMLOTMZUVER-PKOBYXMFSA-N 448.593 1.575 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1N(C)CCCC1(C)C 1360671394 FKGCKWBXNIBIAK-DOTOQJQBSA-N 437.614 1.749 30 10 IDEE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1452457587 SASADCKQMVKZRE-OAGGEKHMSA-N 434.562 1.786 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1494915377 DTJIFRYRQFLHEQ-YIOZNXECSA-N 442.586 1.004 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1503720815 UPKARKLVXBNCTK-STGLLQLASA-N 431.541 1.211 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1(C)C 1504505513 VXAOIDAJQKHKTA-KRWDZBQOSA-N 432.550 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1507672090 UHRILRSJJZIDPQ-IBGZPJMESA-N 443.529 1.145 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1507678666 BHVZGDOYYNRORX-HNNXBMFYSA-N 433.534 1.557 30 10 IDEE C#CCN(CC)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507690476 YZIVMXBXIMMGTP-ROUUACIJSA-N 430.578 1.947 30 10 IDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507695070 UMUJBCAPMHGAME-GOSISDBHSA-N 431.562 1.783 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507740513 AYKGSYWOPISMMS-HNNXBMFYSA-N 431.522 1.150 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1507752229 WYMCBSFQPMLKLT-AWEZNQCLSA-N 425.605 1.682 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1507842626 JTQSZFADWDCNLN-UHFFFAOYSA-N 429.569 1.820 30 10 IDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507951092 NMCDRSHILMNXNS-UHFFFAOYSA-N 425.537 1.804 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCCN(C(C)=O)CC1 1508079090 NQVBLNWYXLLPPT-UHFFFAOYSA-N 433.516 1.854 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508093833 XILHTUCGXPZWLI-GOSISDBHSA-N 438.532 1.587 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1508094580 HAUMDLLXIKCART-DEOSSOPVSA-N 438.576 1.667 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1508135577 MOLJGARPQKJZBL-UHFFFAOYSA-N 439.488 1.428 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCOCC2)CCOC1 1508410185 DJSMZNIRXRCHHY-UWJYYQICSA-N 434.541 1.163 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1518956487 BUDFHZITQKUSLZ-QFIPXVFZSA-N 427.505 1.994 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1530737064 YXOUMUMYAKLBIT-KRWDZBQOSA-N 437.562 1.322 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@H]1C 1539002563 UZZBQECMXZXKMS-DLBZAZTESA-N 445.593 1.417 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539101985 OUIMFGXONHNNOK-QGZVFWFLSA-N 432.506 1.785 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539526353 NKNDAMBJJQCVLW-INIZCTEOSA-N 439.607 1.170 30 10 IDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539757878 BUVXCGWMZZOEKN-UHFFFAOYSA-N 425.580 1.605 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 1540874490 IHKDZQOFLBRRMU-UHFFFAOYSA-N 445.593 1.492 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCCCC2)C1 1540902243 DZKYAJVKLUZYPA-OALUTQOASA-N 437.610 1.838 30 10 IDEE CC(C)(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1541229474 TTXZGMQHMWXEJR-QGZVFWFLSA-N 438.536 1.638 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1544670313 GJXXTBPZDPCTLU-UHFFFAOYSA-N 426.473 1.831 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1548335573 QNWGHCFSFGKMDW-KRWDZBQOSA-N 434.522 1.012 30 10 IDEE CN(C)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1552830503 FMVLCZWCFDZNAS-UTKZUKDTSA-N 443.577 1.820 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1555558794 FMBZIMLWVCUDNQ-JOCHJYFZSA-N 436.520 1.361 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@H](C2CCC2)C1 1555817682 HKZKZNOPUZIMFZ-LJQANCHMSA-N 444.561 1.619 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1555996671 QHZNGBWUUROWLO-GOSISDBHSA-N 448.593 1.617 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1csc(I)c1Br 1556750856 YBMIHUCXRUOMOX-YFKPBYRVSA-N 431.049 1.835 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643519 XUNHTPZCMFJGSY-IDENBPMYSA-N 425.551 1.857 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(Cc4ccc(C#N)cc4[N+](=O)[O-])CC3)C2=O)n(C)n1 1559742164 FNNDXHZUYKCJMV-LJQANCHMSA-N 437.504 1.822 30 10 IDEE COC(=O)c1ccc2c(n1)CCCN2C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1587323062 VZSMEWFOUGVBSA-KRWDZBQOSA-N 447.451 1.924 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1587640556 SUOWVWXSPDRARI-WMLDXEAASA-N 437.953 1.771 30 10 IDEE C=C[C@@H](O)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 1588119584 YYXYEGWFYBRHOI-ZECSTPGPSA-N 428.413 1.996 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSCC#C)CC1 1588890808 GBIUMOTXBAFYJJ-JOCHJYFZSA-N 445.589 1.262 30 10 IDEE C=C(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OCC 1589370524 AFDVUHWVHVQCRZ-QMMMGPOBSA-N 425.326 1.786 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1594992595 LOIPXYIHZRTHNJ-IRXDYDNUSA-N 436.582 1.227 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1595161688 IKOSXFSJCGMLMR-HNNXBMFYSA-N 425.580 1.928 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1595883774 BDEBJWMDQPGMSB-SJORKVTESA-N 434.610 1.490 30 10 IDEE COC(=O)CN(C)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1596302817 CTYANHMXBJGLJS-LJQANCHMSA-N 430.505 1.614 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1596752566 XPZDDNDPXWLWQH-HXUWFJFHSA-N 448.531 1.432 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1609506732 HIKRBAUDMANSNC-YESZJQIVSA-N 433.557 1.033 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1612590602 CBOYMRLFMBJZIC-FQEVSTJZSA-N 428.562 1.605 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1614070994 CFTNHXNTNXDHSD-SFHVURJKSA-N 425.562 1.580 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)COc1cccc(Br)c1C#N 1617365421 PSOSHMQFARMEDQ-FZMZJTMJSA-N 430.324 1.534 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1618310430 VSWGMMYXWPNZMJ-UHFFFAOYSA-N 435.897 1.492 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1O 1618884219 UKGUQAOIADGHSY-XWPNQZOQSA-N 439.516 1.850 30 10 IDEE COc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1619178722 XMXNLYRRWBVZHR-CZIZESTLSA-N 438.488 1.705 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1 1622886549 JXTQOUJLGIVOEK-UHFFFAOYSA-N 427.490 1.995 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)c1 1625798518 LARISOVNWRDPFM-UHFFFAOYSA-N 449.435 1.987 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 1625863587 NVVAIVNUNJDOHN-HNNXBMFYSA-N 431.539 1.927 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCCc2c1ccc(=O)n2C)/N=C1/NS(=O)(=O)c2ccccc21 1628308797 HHNGKRORYNVOIX-CZUORRHYSA-N 428.514 1.396 30 10 IDEE C#CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1630397052 LMLJTFHXOQOIHV-KRWDZBQOSA-N 435.521 1.311 30 10 IDEE C#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC 1638826519 KXASDAGGGOMNAC-LBPRGKRZSA-N 426.800 1.318 30 10 IDEE CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1639961749 HDYBCHQCTJPFRA-IFMALSPDSA-N 443.525 1.505 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3ccc(S(N)(=O)=O)c(Br)c3)C2)c1 1642543263 NTLPDVRJSIFJIC-UHFFFAOYSA-N 435.303 1.905 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1646376293 UKABCOMZBZDJSF-UWIFEVILSA-N 448.545 1.882 30 10 IDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCO1 1647790288 DHMHBEXSUVYFLS-LJQANCHMSA-N 438.532 1.593 30 10 IDEE C[C@@H](CC(=O)NCc1cc(Br)ccn1)/N=C1/NS(=O)(=O)c2ccccc21 1648825950 BEYLHKQDUMRCGN-NSHDSACASA-N 437.319 1.978 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1Cc2cccnc2NC1=O 1651204886 YHBABWCCCOOIHC-HOTGVXAUSA-N 441.513 1.359 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1652929245 OXFZDCHHQZNEFC-HNNXBMFYSA-N 430.523 1.179 30 10 IDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1656388018 BEEYCTZVJMITCQ-IBGZPJMESA-N 437.500 1.279 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1671750788 CUXJILLUHFUEMN-UHFFFAOYSA-N 442.339 1.219 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1689842656 GFUYZEHVBQTJMO-HFGXJBEUSA-N 434.456 1.658 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1689989453 FSYHDUXUXVGXSU-CBGDNZLLSA-N 448.545 1.300 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(F)cc(OC)c2)CC1 1690112223 RRGNEXSDBJQHSZ-KRWDZBQOSA-N 431.512 1.953 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1690558548 UOOZIYBTVDDZPB-LJQANCHMSA-N 433.516 1.857 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C)C1=O 1690558742 ZKHGVRJGXGLVQL-HSZRJFAPSA-N 435.532 1.959 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1690993181 GRDNJVUXVLMDEE-HUUCEWRRSA-N 431.522 1.489 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1696584058 SVQBUNJKFYSPAV-NRFANRHFSA-N 442.545 1.310 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CS(C)(=O)=O)CC1 1705485804 PUSSYDMSIFRQPY-HNNXBMFYSA-N 440.533 1.204 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1705571024 UOEUMEWAZHPICB-ZWKOTPCHSA-N 444.557 1.943 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1705612511 IFAAXDGNGLCOES-IBGZPJMESA-N 447.561 1.265 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1705641271 YGIIGUBYAUMZDP-UHFFFAOYSA-N 434.519 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)NC)c2)CC1 1705649172 NBDFWNPJRNUKFM-UHFFFAOYSA-N 445.527 1.647 30 10 IDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1705830263 LTJLYQYJOVVBND-IBGZPJMESA-N 438.536 1.774 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1705900567 INBHDUSNSZBTEN-UHFFFAOYSA-N 438.536 1.266 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2occc2C)C1 1705922767 RXRLNNQHVCJHRA-DLBZAZTESA-N 442.520 1.732 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1706749493 WKJYBHMNMMSPAG-UONOGXRCSA-N 434.522 1.569 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708493629 VISRSNMNSNVFKI-HQEVYLJUSA-N 443.552 1.671 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722360439 HPJIYROOWRYNMQ-SFHVURJKSA-N 443.573 1.676 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1722364771 AINHGRUCPBDMPJ-WMZOPIPTSA-N 449.533 1.329 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1722461024 LHCSSMUZQUXQST-INIZCTEOSA-N 441.623 1.604 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722461988 KTARUTGGBKMHRW-OAHLLOKOSA-N 446.602 1.598 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722462405 LNGOSCCCVYTUKX-UHFFFAOYSA-N 425.624 1.895 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1722473506 FPRFVTYWRIDXGE-GHTZIAJQSA-N 445.545 1.357 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCOCC 1722473884 IMLISBVAAHUDIJ-YLJYHZDGSA-N 439.582 1.420 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722506264 CEADVCKRWHZOTL-WDYCEAGBSA-N 446.577 1.566 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC(C)(C)C1 1722693358 LFRWMUMTTXQZSB-UHFFFAOYSA-N 433.534 1.266 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCN(CC)CC2)C1 1722722313 ZTFVEWWUBKQTCN-VQTJNVASSA-N 445.612 1.208 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1722751777 URBFSJRXLTXZOE-HXUWFJFHSA-N 445.589 1.629 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCC(=O)NCc2ccccc2)CCO1 1731186326 CFOSWNNGIVDWNV-FQEVSTJZSA-N 431.500 1.699 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740623765 AJXLQPBSKNNGNU-KRWDZBQOSA-N 449.602 1.566 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1740638025 GMUQVSMKUVYNOL-IBGZPJMESA-N 443.555 1.997 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1740786957 UZIHUPYYTGTWFR-UHFFFAOYSA-N 426.525 1.223 30 10 IDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740788833 XZXAVQXKKOKPFO-IBGZPJMESA-N 434.585 1.365 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740858086 IEINODVEIFPJCC-HZPDHXFCSA-N 447.627 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 1740991948 IXVLQBYIEAZESO-INIZCTEOSA-N 444.623 1.798 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1741128467 WLIYVTSWKPOFKV-YOEHRIQHSA-N 434.508 1.431 30 10 IDEE C[C@@]1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1742012712 DARAVMSKUGYCKJ-MOPGFXCFSA-N 434.497 1.517 30 10 IDEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCOCC1 1747561685 GCNJSERADQXQDL-IBGZPJMESA-N 437.548 1.629 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1748830384 VHLKZGHNJKBQDR-ZJSXRUAMSA-N 443.592 1.748 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1748874989 HBRKCMARHPVEPH-UHFFFAOYSA-N 436.491 1.546 30 10 IDEE COc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)N(C)C)c1 1748921086 NVQALTNGIXJLMZ-UHFFFAOYSA-N 447.499 1.967 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1749194236 YMRWLMDVIKTHHX-MSOLQXFVSA-N 441.598 1.625 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1749401872 DZFDUFWZMJUCDT-QZTJIDSGSA-N 441.598 1.973 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1749529624 JMECNAJXEPAVQS-QGZVFWFLSA-N 433.534 1.475 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnnn1 1749538526 WWUZLUCHZZNRDY-GOSISDBHSA-N 442.549 1.450 30 10 IDEE COCCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749593394 NBIAPNRXOQWKAP-QGZVFWFLSA-N 439.520 1.827 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2)C1 1749730349 APBZZIZWDGATSI-LJQANCHMSA-N 442.545 1.857 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1751281685 FICQBOWUYNVRRF-LEWJYISDSA-N 442.545 1.298 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1760116902 KYTRLOSPQHBTTH-MAUKXSAKSA-N 439.545 1.576 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760130632 KNGUHLWFRFQHTG-GJYPPUQNSA-N 425.555 1.076 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 1760137292 HYSDNNBIIOZRQL-SFHVURJKSA-N 439.582 1.277 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1760202617 IUOUDJWGFAWGBF-AWEZNQCLSA-N 432.406 1.795 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1760215212 RPDLLQPOIAHJMR-LJQANCHMSA-N 443.515 1.298 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1760219666 KJXLFQKDWQBURT-SFHVURJKSA-N 426.546 1.540 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1760248849 RPHAVFMGZGMVKN-HXUWFJFHSA-N 433.516 1.608 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760347730 RYWUHUFIRHKTOL-INIZCTEOSA-N 426.525 1.374 30 10 IDEE C=C(C)COCCn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1760351005 ZKMWYNMMWUEUBI-IAGOWNOFSA-N 437.541 1.929 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760359017 BAADUVGTWZUDEV-GOSISDBHSA-N 427.553 1.796 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1760492057 DVTNSYIYKSDGRG-OAQYLSRUSA-N 446.529 1.444 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC)[C@H](C)C1 1760514539 IULAMJIEFAKMAM-GOSISDBHSA-N 439.564 1.980 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760524233 SPBPLPYVVJZGPC-HXUWFJFHSA-N 445.612 1.079 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CC=CCC1 1761466589 MNBJQIXRMLMJTG-QGZVFWFLSA-N 443.577 1.658 30 10 IDEE CCc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1762646383 HICILYHJYKUJFL-KKSFZXQISA-N 447.561 1.565 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1766670692 GVBRXXUBUYMYDJ-UHFFFAOYSA-N 440.533 1.274 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C#N)c1 1769376058 HDGOXSSFQKMAFE-UHFFFAOYSA-N 425.518 1.321 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(-c2ccccc2)n1 1771109192 HWUHCLMWGQYHTH-UHFFFAOYSA-N 449.519 1.510 30 10 IDEE COC(=O)[C@H]1[C@@H]2[C@@H]3CC[C@@]4(C[C@@H](O)C(=O)O4)[C@@]3(C)C[C@H]3O[C@@]23[C@@]2(C)CCC(=O)C=C2[C@@H]1O 1848432752 XGNJVKUWAJKFLN-HVHMYCLNSA-N 446.496 1.066 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 1852017764 UGFIGJPIJYXVTH-SFHVURJKSA-N 437.475 1.811 30 10 IDEE COc1cccc(N2C[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)c1 1852745695 HALDIZBOPRNNFP-LLVKDONJSA-N 433.408 1.919 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)CC2=O)c1 1854461888 NOQRIZCTLVGMOQ-UHFFFAOYSA-N 437.827 1.973 30 10 IDEE COc1ccc2sc(N3CC(C(=O)N4C[C@H](CN(C)CCC#N)CC4=O)C3)nc2c1 1855725148 SKLIADOMCMLIJJ-AWEZNQCLSA-N 427.530 1.962 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C3CCN(CCC#N)CC3)CC2=O)cc1 1856171985 PJBMLGATOYGTRH-GOSISDBHSA-N 432.546 1.551 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)C(=O)C12CCCCC2 1856282567 SCWDHNNIPZDRQY-KRWDZBQOSA-N 431.514 1.800 30 10 IDEE C=CCC[C@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC3CCCC3)C2)CC1=O 1856842856 YRMSDBLNVKEELS-PKOBYXMFSA-N 425.595 1.854 30 10 IDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CN1C(=O)c2ccccc2C1=O 1861520538 RBBKMVJSBZQJTH-HXUWFJFHSA-N 449.463 1.238 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(C(=O)c3cc4c(OC)ccc(OC)c4[nH]3)CC2)CC1=O 1872989813 UNESEKIXWFZPSL-OAHLLOKOSA-N 440.500 1.504 30 10 IDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)c(O)c1 1874471353 QRMNFTMNLBFWBJ-UFFVCSGVSA-N 431.474 1.762 30 10 IDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(NCCCN3CCOCC3)ncnc21 1875230004 KLXSJUAPCTWTRV-UHFFFAOYSA-N 442.564 1.596 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@H]4C[C@H]3CS4(=O)=O)c(Br)c2)OC1(C)C 2116142238 KIIOEADGASRBKP-NWDGAFQWSA-N 429.145 1.519 30 10 IDEE CN1C[C@@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)N(C(=O)OC(C)(C)C)CC1=O 2124533680 QHBAZTQTMWQDHU-INIZCTEOSA-N 449.357 1.854 30 10 IDEE NCC#Cc1cccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1F 2145991761 ODVHKUCAJCRYQM-UHFFFAOYSA-N 429.473 1.954 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)C#CB1OC(C)(C)C(C)(C)O1 2243430382 QHLVZDWWDYHZJM-UHFFFAOYSA-N 428.316 1.030 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2247555222 UXGIVKFJHXXGNC-GJGORFQUSA-N 439.509 1.777 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255632428 MVPUGDWNTARUNM-ZFWWWQNUSA-N 432.330 1.790 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2255650478 PKEJLRQOJRLXEP-STQMWFEESA-N 432.330 1.314 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255650551 ZYPCTBRTWFEDGE-UONOGXRCSA-N 434.346 1.610 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CCON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255829403 OMIBSKQPLNLBHB-ZDUSSCGKSA-N 436.318 1.390 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255867218 ZIWXUANXEJKKJK-JOCHJYFZSA-N 434.342 1.991 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063425 OVDHOFYQXPKKBK-KBPBESRZSA-N 432.330 1.904 30 10 IDEE Cn1cc(C(=O)N2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267196199 OETJUUNONSEIGB-QFIPXVFZSA-N 446.357 1.945 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 2267200286 UPNXBCDTJXUVKK-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2267266438 PMJUNGCNZBJATO-SJORKVTESA-N 447.341 1.745 30 10 IDEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2315696930 LCWUTECTZCMPDH-LLVKDONJSA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2337061588 AZJGQOTVAYRTNK-UHFFFAOYSA-N 448.329 1.142 30 10 IDEE CCC/C(C)=N/Nc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1 59890465 PXVLSDBHEBIRSZ-REZTVBANSA-N 429.557 1.552 30 10 IDEE CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ncccc2C#N)CC1 96993224 AEAOUXATGIBYES-UHFFFAOYSA-N 426.908 1.826 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc(OCc3ccccc3)cc1)n2CCO 254492503 HTBSRZTXUNYJOU-UHFFFAOYSA-N 434.456 1.853 30 10 IDEE C=CCNC(=O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br 393831928 DQQWELREIFBQAX-UHFFFAOYSA-N 427.118 1.374 30 10 IDEE N#Cc1cc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 445651403 WRLJDDQBZZMORT-UHFFFAOYSA-N 436.396 1.891 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3)CC2)c1C#N 472050814 BYPBTDSJPPCUOP-OAHLLOKOSA-N 429.475 1.989 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2=O)c1 506083154 LCVYTUPRGWOCLQ-INIZCTEOSA-N 442.497 1.422 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC2CC2)C1 508829310 YRUCHSKBJDGVII-SJORKVTESA-N 425.555 1.192 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 508885465 PXIFEOGXYHQEEW-QGZVFWFLSA-N 435.506 1.162 30 10 IDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 509073250 ZUGFIXMIIDYJQF-HXUWFJFHSA-N 449.511 1.924 30 10 IDEE CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 561545102 LDQCSTGVLWTTPH-UHFFFAOYSA-N 436.353 1.271 30 10 IDEE CCOC(=O)c1ccc2c(c1)n(CCS(=O)(=O)c1ccc(C#N)cn1)c(=O)n2CC 561683999 UDHMPWLKXHZXKC-UHFFFAOYSA-N 428.470 1.740 30 10 IDEE CC(=O)Nc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccoc3)c2=O)c1 727417870 KVKYZUGCGHBEHD-UHFFFAOYSA-N 448.504 1.576 30 10 IDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 729334377 NKADCHZHIKIZPT-AWEZNQCLSA-N 430.523 1.165 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CCN1C1CC1 732706094 FEECUSONSYRVAX-QGZVFWFLSA-N 430.530 1.540 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc4c(c3)CCCN4C)nc2)CC1 748034956 XJAFTQMBAPMBAC-UHFFFAOYSA-N 428.562 1.846 30 10 IDEE C#CCN(C(=O)c1cccn2c(I)cnc12)[C@H]1CCS(=O)(=O)C1 750610161 LCTIAKXODAFVMT-NSHDSACASA-N 443.266 1.201 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)[C@H](C#N)C1 756896092 ZBAMVONJDATWKD-IUODEOHRSA-N 427.910 1.989 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)cn1 772313629 KTBHBRGAYSIAFC-UHFFFAOYSA-N 431.521 1.717 30 10 IDEE C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 780205665 NCAVDNSWXAJTRP-MGNBDDOMSA-N 435.358 1.696 30 10 IDEE C[C@H](CC(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 783659769 AYXCUTAPQOMNNR-CHWSQXEVSA-N 440.522 1.465 30 10 IDEE O=C(C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCn2ccnn2)C1=O)NC1CC1 784124684 APWUOLGPECWPCA-QGZVFWFLSA-N 442.501 1.697 30 10 IDEE C#CCn1ccc(CN(CCOC)Cn2nc(N3CCOCC3)n(C3CC3)c2=S)n1 788370234 POLKKVYOZTWXTD-UHFFFAOYSA-N 431.566 1.521 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)n1 788695109 DPNKJDMSSQYVEZ-INIZCTEOSA-N 430.530 1.651 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cc(C#N)ccc3Cl)ncnc1-2 796186437 JYUHVQMPPWKOID-UHFFFAOYSA-N 434.685 1.866 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)n1 849590086 WPHZKPJQGRCXPD-YADHBBJMSA-N 426.565 1.739 30 10 IDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)n1 856711449 WZOTYXSWAUONLG-NRFANRHFSA-N 428.493 1.613 30 10 IDEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H]1CCS(=O)(=O)C1 917701094 VJXHAVQDRFUOIP-GOEBONIOSA-N 432.527 1.346 30 10 IDEE C[C@]1(C#N)CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1131309527 PLQAHDJNMFIGLG-HXUWFJFHSA-N 432.502 1.531 30 10 IDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1137335992 KYZIWYJQNKZQJO-MSOLQXFVSA-N 435.569 1.729 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCCNc1ccc(C#N)cn1)N2C(=O)OC(C)(C)C 1141487047 ORAXCPVAYCLOFH-UOVPBQLFSA-N 443.504 1.668 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NN1C(=O)[C@@H](C)N(C)C1=O 1148178440 AFVKUNXRKHOVLN-SECBINFHSA-N 425.239 1.412 30 10 IDEE CN(CC(=O)NCCC1=CCCCC1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1156646630 LNIAFGRBSOSDIE-UHFFFAOYSA-N 432.546 1.957 30 10 IDEE O=C1C=COC2(CCN(C(=O)Cn3nc(Br)c(Br)n3)CC2)C1 1157544933 OHWAIJOMIHHGSU-UHFFFAOYSA-N 434.088 1.667 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C)c1cc[nH]n1 1175454662 KHBZNXIDRFLMCV-CQSZACIVSA-N 437.497 1.599 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ccsc2C#N)CC1 1192483601 BTOKZCWKIAJWAG-UHFFFAOYSA-N 425.557 1.843 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286323285 JLWRQENLKAUUDM-KRWDZBQOSA-N 433.578 1.479 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286325425 XXNWSLQZWUCWQI-RXVVDRJESA-N 435.594 1.285 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286392956 IHRQBRLVHJMWFL-KPLVRAHFSA-N 445.589 1.688 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1286438442 VZJZFZNWPCSTDE-IERDGZPVSA-N 447.561 1.195 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1286452737 SSZKASMEWYUNPG-ZDUSSCGKSA-N 426.930 1.475 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CC2CCOCC2)CC1 1286607331 OPKZGJKDIMYUQD-UHFFFAOYSA-N 427.553 1.876 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1286758061 BVSRUCGQCNDTSL-MSOLQXFVSA-N 438.598 1.274 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1287280434 PRFFKFGUGSDZPJ-BWVDKLOVSA-N 437.504 1.728 30 10 IDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1=O 1289201307 KEGFIEXQDWLGTJ-NQCMUKECSA-N 437.905 1.098 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCN(C)C 1291620169 NXFHKOCHWYDRRA-GOSISDBHSA-N 426.569 1.963 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)c1 1293626469 KNJUDFBUNDJCHB-JXMROGBWSA-N 444.484 1.796 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300500519 AOTYCPAKDZDYDP-ZWKOTPCHSA-N 447.605 1.854 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1300506161 NRRWTXULTYROCX-QFIPXVFZSA-N 448.571 1.780 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CC1 1300693550 ZYEAIAUHWYLCHJ-UHFFFAOYSA-N 439.583 1.865 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCn2ccnc2C)CC1 1300719758 PAJOJQZMVGQQSK-UHFFFAOYSA-N 447.547 1.686 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ncn(-c3ccccc3)n2)CC1 1300731009 KJPOYGHLXGGIHL-UHFFFAOYSA-N 448.531 1.409 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)CC)C1 1300779606 YWNCUQJKLQQAIG-LNLFQRSKSA-N 435.594 1.864 30 10 IDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1301290889 CLSRLDZOKBUQBC-VXGBXAGGSA-N 433.324 1.183 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1301391261 STGQDOYBKRRPII-MRXNPFEDSA-N 447.536 1.928 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301510362 VJAFGKSVIKFWET-PKOBYXMFSA-N 429.521 1.708 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1301609769 OBFCTNJBVJIQHI-KRWDZBQOSA-N 432.594 1.987 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCn2ccnc2C1 1301799974 PSOYXCVNQYGMDJ-KRWDZBQOSA-N 426.525 1.340 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCCS1(=O)=O 1302241713 AYTWRGWYQMUHRS-QAETUUGQSA-N 425.555 1.565 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCOC2)C1 1302496624 YDVXHKABOMAWNX-FQEVSTJZSA-N 430.534 1.373 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOc2ccc(F)cc2)CCO1 1303003278 DSJMNICAPBWXQM-QZTJIDSGSA-N 428.468 1.956 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCS(=O)(=O)CC1 1359005276 BOQYSEHAUAMDMR-UHFFFAOYSA-N 446.529 1.116 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc2c1OCO2 1359018889 FQZKTUWFHHXUAU-QFIPXVFZSA-N 428.489 1.793 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359023855 YJNKLMLCBRYLSV-RBUKOAKNSA-N 435.594 1.836 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359042551 LFECCETVSPFNLO-AZUAARDMSA-N 441.532 1.864 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1359057189 UVTIPYVRYUXUSQ-QGZVFWFLSA-N 438.619 1.944 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@H]1C 1359294455 UISPBDIKHYRHQE-LLVKDONJSA-N 436.314 1.005 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1359305961 RQFMNZXYAVFEGP-UHFFFAOYSA-N 430.534 1.160 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=CCC1 1359330739 BLFQWTZBHFIVNQ-UHFFFAOYSA-N 440.529 1.559 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1360273699 BLKIZEZAUYTOGZ-GOSISDBHSA-N 444.561 1.745 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1ccc2c(c1)CCO2 1360644652 CPYPBCXINFSJIU-GJZGRUSLSA-N 432.550 1.804 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(S(N)(=O)=O)CC2)cc1 1441889935 HRQDEEXDBDPCMT-HMMYKYKNSA-N 428.536 1.039 30 10 IDEE COC(=O)[C@H](O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1446514079 NUEQPXBZMNDEPZ-QOQLHOOGSA-N 435.521 1.546 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1446992967 YSUHIWYNPUXMDB-QNBXZPKWSA-N 440.566 1.313 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1462353858 DDSLMTWSOZIECN-NRFANRHFSA-N 439.537 1.795 30 10 IDEE C=CCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1464916807 KHDIEPFGRMPPBH-NXHRZFHOSA-N 441.594 1.423 30 10 IDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)c2cc(F)c(C#N)c(F)c2)C1=O 1465503965 RMEJPKGGRUROPK-UHFFFAOYSA-N 427.367 1.582 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@@H]3CCC4(CCOCC4)CO3)CC2)c1C#N 1479299459 KQPGPDSCBJZUSQ-SFHVURJKSA-N 430.553 1.798 30 10 IDEE Cc1nccnc1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1492715792 LMEBRPHEBADZIW-LAUBAEHRSA-N 427.509 1.389 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CCO1 1503770213 DRDRPBOFISVGDT-UYAOXDASSA-N 449.515 1.664 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1CCS(=O)(=O)CC1 1504961113 OGBDRMNYNQJVRA-INIZCTEOSA-N 439.582 1.957 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1507537979 JYSOCDSEIAGKKQ-GJZGRUSLSA-N 427.596 1.355 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1507539223 SMEAGVCAOGLPQW-VQIMIIECSA-N 447.561 1.264 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507630571 CICGCLJMNBTRSI-QGZVFWFLSA-N 444.561 1.349 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507632122 XFFNCZNVLUVZCX-MSOLQXFVSA-N 429.546 1.782 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1507778692 GASCQILSUCCOBJ-BBRMVZONSA-N 448.387 1.804 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507799438 KAFANHRGPZHKJD-ZCNNSNEGSA-N 426.521 1.663 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508096147 CCAWQZHOIBNRPU-GUTXKFCHSA-N 433.431 1.072 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCS(C)(=O)=O)C1 1508108861 JCPOPZDODKZXLQ-GOSISDBHSA-N 447.561 1.973 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2CC2(C(N)=O)CCOCC2)n1 1511682147 GWODUBJDTVONCU-UHFFFAOYSA-N 440.552 1.552 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1517148322 MZDIYTKYCYNUAE-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1531180817 GNJABJDFLQNXFZ-GOSISDBHSA-N 444.528 1.898 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)O1 1538456924 NCVRCXPGFLRZCZ-MCYKXBRJSA-N 447.919 1.986 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1539011493 CANOSWRGBIVENZ-FXAWDEMLSA-N 445.589 1.874 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1539278700 IRIFIIAHLYJWQS-UHFFFAOYSA-N 435.406 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1 1539392399 QQBNSVNLHCNPLN-UHFFFAOYSA-N 428.512 1.854 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CC1 1539453898 UAQATQPXJXHMMX-LJQANCHMSA-N 442.995 1.998 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COCCOC)C1 1539612992 SCDCFSRLGSHJRA-AQNXPRMDSA-N 447.580 1.985 30 10 IDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1539709523 ADKPDFVUIRJOJK-IBGZPJMESA-N 448.593 1.717 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1539803753 MWPLUWUXXITQAS-YUELXQCFSA-N 433.962 1.225 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540868945 XCQZMUYNEJXQCM-CYBMUJFWSA-N 426.447 1.054 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1540922719 WODOATGFZHBTPQ-UZLBHIALSA-N 436.582 1.405 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NCC2CC2)CCOC1 1541723901 KFZQGEQAAOQJPB-QFIPXVFZSA-N 430.553 1.975 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCS(=O)(=O)C1 1555559581 XVKQDSSPTBKXOW-OAHLLOKOSA-N 438.579 1.435 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCO[C@H](C)C1 1555637115 PDJXOIJXRXKCNY-DBXWQHBBSA-N 438.548 1.945 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](Cc1ccccc1)OC 1555753849 WRHQBXLLDXKJKJ-TUFLPTIASA-N 441.532 1.989 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1557539674 QHFJMJRJIPWDBD-VGOFRKELSA-N 438.569 1.696 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 1558112003 UBKFKFZOXWJYRQ-FQEVSTJZSA-N 433.574 1.010 30 10 IDEE CN1CCC(NC(=O)CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CC1 1559721589 ULESBWURUNRVSX-IBGZPJMESA-N 434.382 1.842 30 10 IDEE CN(C)C(=O)N(C)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1560033197 MISBXMIXNHARIO-WOJBJXKFSA-N 430.528 1.222 30 10 IDEE CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@H]1CCN(O)C1=O 1569561874 YAYAISRLRIWITG-KGLIPLIRSA-N 427.299 1.523 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1588053636 GLLQEGKCDYOGAG-QZTJIDSGSA-N 445.545 1.251 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588065141 VEAPKVQIRYOKJK-QUCCMNQESA-N 444.605 1.621 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)Cc2ccccc2C1 1588074147 KJZOASQAJAFUCP-UHFFFAOYSA-N 430.556 1.686 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1588185395 GBLJGHHIFSGTFN-QHCPKHFHSA-N 430.549 1.713 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1588387484 UTRATCKQPXANQX-CVEARBPZSA-N 427.596 1.214 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1588806521 UGAIFEJOBLMKRF-LEWJYISDSA-N 435.576 1.596 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCOC2)CC1 1594097152 MULLLDQCBYLIHC-DLBZAZTESA-N 425.555 1.194 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1594783917 LVUNRYWNDNSOKK-SJORKVTESA-N 439.520 1.766 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595556170 PWJQVIKZCVBYQR-HZPDHXFCSA-N 431.880 1.939 30 10 IDEE N#CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(F)(F)F 1596784278 XDSLQSMKQVZOMG-GFCCVEGCSA-N 425.454 1.715 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1598442548 ZJXAWEHANXLQGB-INIZCTEOSA-N 439.497 1.502 30 10 IDEE CCCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1snc(C)c1C#N 1609995016 QLRRIOFBSKHPPQ-UHFFFAOYSA-N 437.547 1.739 30 10 IDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1611803770 DFYCIXUGLGRSOF-BEFAXECRSA-N 440.545 1.633 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 1612576555 HKOWVZFRLWBECF-IBGZPJMESA-N 446.485 1.657 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1618040520 ALMCSFDTJJYXFV-SMOSDQRPSA-N 437.562 1.746 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2CN2CCOCC2)s1 1623311176 POLGABCOOYPVJN-UHFFFAOYSA-N 449.598 1.904 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N=[S@](C)(=O)c2cccc(Br)c2)C1=O 1626323917 HXVROYSIGYCMQU-RUZDIDTESA-N 428.264 1.409 30 10 IDEE N#Cc1cn(CCC(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)c(=O)nc1O 1627372107 JSHKCHVNUPQKJM-AWEZNQCLSA-N 426.351 1.349 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1630737287 FKNGBIHNUVCSDM-IFXJQAMLSA-N 448.570 1.751 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 1635994238 ZMZAISPDWTYVOK-GOSISDBHSA-N 432.565 1.307 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636838576 FGIUTQYYMWKBAP-NEPJUHHUSA-N 435.365 1.554 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1cncc(C#N)c1 1645989640 FWESPICQQAPRNW-UHFFFAOYSA-N 443.529 1.218 30 10 IDEE N#C[C@@]12CN(CC(=O)NCc3ccc(COc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1648415551 LKMCVYLNYSHWEZ-REWPJTCUSA-N 439.537 1.752 30 10 IDEE Cc1cccc(Cl)c1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652133708 CYVWQNKJJJMHQU-UHFFFAOYSA-N 432.864 1.824 30 10 IDEE N#CC1(C[C@H](O)CN2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCOCC1 1658643452 LIPGWCGGKRLYRG-BBWFWOEESA-N 433.471 1.606 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@H]1CS(=O)(=O)C2 1681070768 ANKYJKDNNZSTMU-QRTARXTBSA-N 439.335 1.875 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689980785 XNBLXODHVLJXOF-SFHVURJKSA-N 435.594 1.461 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 1689982900 WVUUWYATQIWHIQ-RTBURBONSA-N 443.573 1.748 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689989253 CJQGDVUZDVWFPO-YZCUQEPOSA-N 440.591 1.058 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1690032875 LETRLYPESMALPA-DLBZAZTESA-N 427.530 1.527 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1690063624 KICGSKCZYYNUST-KRWDZBQOSA-N 429.546 1.723 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1690063625 KICGSKCZYYNUST-QGZVFWFLSA-N 429.546 1.723 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(CCOC)[C@@H](C)C1 1690666991 NIBYJUAERFZUNB-SFHVURJKSA-N 449.559 1.952 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690722348 GMKBVRFXLCIIIT-KRWDZBQOSA-N 449.581 1.165 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1691325043 AAIGKEGPFRQFJI-NMEJYPJZSA-N 441.561 1.793 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1696469621 WHYWXSVOUFJNBM-CQSZACIVSA-N 434.522 1.173 30 10 IDEE COCCn1cc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1698073974 QHCRYECQTNHWQG-RTWAWAEBSA-N 447.515 1.652 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705538176 FDWJMXXGUOMTBO-UHFFFAOYSA-N 432.532 1.911 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1705567656 XYHIWMDIAIWICR-LJQANCHMSA-N 433.578 1.431 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCNC(=O)c1cc[nH]n1 1705585751 JMFGHKHGAREJRI-UHFFFAOYSA-N 431.500 1.700 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccco1 1705589639 TZNSPOCCOMPKIM-UHFFFAOYSA-N 431.456 1.411 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCSCC2)CCCC1 1705620760 FTCHNXDRPNMWOK-UHFFFAOYSA-N 448.637 1.864 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2C)CC1 1705634948 NEMIXKNSXMNYFY-QFIPXVFZSA-N 427.553 1.164 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705657036 QNEZYQUPRBANFP-GOSISDBHSA-N 445.545 1.280 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1705662310 VYQWLACBWJHTLO-INIZCTEOSA-N 425.580 1.134 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCC2=O)CC1 1705664746 ZVBBHHZIWXJNKT-UHFFFAOYSA-N 430.578 1.358 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705741067 FIWJUXZBSABYRL-ANULTFPQSA-N 449.596 1.752 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1705904791 YWKPVNWARJLVBO-CQSZACIVSA-N 432.475 1.412 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)OC)C1 1705905697 DFMXWRJYFUGGSQ-INIZCTEOSA-N 437.504 1.208 30 10 IDEE CC(C)CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1=O 1706510537 ZRHYLDRKSLKVEZ-ZJYNUGOYSA-N 441.536 1.375 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1708336924 FCDIFOKIDWZPDY-ILRDRHFLSA-N 426.587 1.815 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCCC1 1710734399 BJFBLISZZCEDMO-GOSISDBHSA-N 439.568 1.677 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCn2cnnn2)CC1 1722434233 MFLFWHILVYJGDW-UHFFFAOYSA-N 441.927 1.439 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCCC2)CC1 1722450424 IFECLCKIEYNGEN-QGZVFWFLSA-N 428.537 1.141 30 10 IDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCS(C)(=O)=O)CC1 1722562334 VRTGRMJJWFIESJ-UHFFFAOYSA-N 448.545 1.934 30 10 IDEE C=CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1722651475 LOUOJIQOJADVKH-OAQYLSRUSA-N 432.546 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1722728052 NMDVMVNUWFVZLV-KRWDZBQOSA-N 448.545 1.790 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1727217635 ZXQNPZDXCVWFOT-HMWBCQRISA-N 429.525 1.712 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C 1728614119 CMDXZTPKIXINOA-MRXNPFEDSA-N 430.516 1.889 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCSCC(F)(F)F)CCOC1 1728818907 TVMHCAPEZNVEQP-CZUORRHYSA-N 435.472 1.954 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1740671645 LMGBQCVDKNPRCC-INIZCTEOSA-N 425.624 1.467 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1 1740692351 UYOBXTLKDXAZSB-JOCHJYFZSA-N 433.560 1.419 30 10 IDEE C=C(C)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1740784896 BQGCALRBMZMLEV-NOXFTYBFSA-N 446.596 1.495 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1740818647 PXYAJVNGOKGAES-HZPDHXFCSA-N 425.555 1.588 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCSC2)C1 1740990929 JUWPKESHTNVPKF-RDTXWAMCSA-N 425.580 1.163 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)cs1 1742590679 ASFHOWWLVJCCFR-RBUKOAKNSA-N 445.593 1.719 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1CCNS(C)(=O)=O 1748944749 DBYLATIQMGNBAO-GOSISDBHSA-N 435.525 1.848 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1749194239 YMRWLMDVIKTHHX-QZTJIDSGSA-N 441.598 1.625 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1749663472 GKHVUEBWSLIMJG-QGZVFWFLSA-N 425.537 1.775 30 10 IDEE C=CCNC(=O)Cn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1749681767 IKVPURHUBPRZQW-FCHUYYIVSA-N 449.552 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1749729469 KNEKHZLINFPUCO-MRXNPFEDSA-N 431.518 1.495 30 10 IDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749762598 ZUPMVUJEBYYLIE-UHFFFAOYSA-N 438.561 1.770 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(OC)c1 1750006928 JKMPTQVQZMBUCL-WBVHZDCISA-N 431.493 1.796 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCSCC2)CCCC1 1760173687 AMUCEFIRLDBAFQ-QGZVFWFLSA-N 437.635 1.611 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760189361 IFVFVJINKCSDKU-HXUWFJFHSA-N 444.605 1.621 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760190353 VZSPRLPOFHBSNZ-GOSISDBHSA-N 430.578 1.615 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1760252608 SGMFIVKADFWXFQ-QGZVFWFLSA-N 445.568 1.183 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1760323339 CKUCSVHXWXDPTJ-AVRDEDQJSA-N 440.548 1.540 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760452259 JQHFZMQQFAFQLP-KRWDZBQOSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2ccccc2)C1 1760530085 KOQPVEMJMIDFSV-ZJOUEHCJSA-N 441.532 1.882 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760532644 ASARFGMPAWQYED-KRWDZBQOSA-N 440.529 1.972 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1765004318 HWOYBNVEXHRIRB-JXLCAQNNSA-N 427.509 1.177 30 10 IDEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1768061210 VBZGJSKRBGWANL-ZOWXZIJZSA-N 439.435 1.590 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1771366519 SQDUVKLQUHMAOE-HXUWFJFHSA-N 430.534 1.373 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC(F)F)C1 1771529374 MXBKQEYRVJGKTG-GOSISDBHSA-N 433.398 1.992 30 10 IDEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1771538326 BCDIIRNAHXPIMZ-MOPGFXCFSA-N 429.546 1.617 30 10 IDEE O=C(CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O)ON1C(=O)c2ccccc2C1=O 1772791660 WPQRQYZBIYCXHL-CQSZACIVSA-N 429.335 1.924 30 10 IDEE CCN1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851729749 BLRLDKZNGRHAGF-NRFANRHFSA-N 426.542 1.612 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2F)C(=O)C12CCCC2 1854488943 ZDLGUQNIQBYHJZ-UHFFFAOYSA-N 425.457 1.734 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1 1862604437 DIDMWLAFUCSSOP-HXUWFJFHSA-N 438.436 1.878 30 10 IDEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863183601 WSILRHRQCXZITG-UHFFFAOYSA-N 440.481 1.670 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(Cl)c1 1865729798 SPLXBPDJSBIQMJ-HNNXBMFYSA-N 442.903 1.633 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCCOC 1870544267 ZOOACXJHJHMKIH-HXUWFJFHSA-N 433.549 1.733 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN1CCN(C)CC1 1870739696 GTIBLMMUFNFCHN-UHFFFAOYSA-N 426.517 1.808 30 10 IDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1871260638 SCGIXKNUTVRDGU-UHFFFAOYSA-N 428.489 1.482 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 1891742579 GDULSJOSQITIAU-HNNXBMFYSA-N 441.469 1.234 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 1985007775 CBJUMDXFPXHNHE-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)O 2067741841 CSWDKHQMQHPXEO-CYBMUJFWSA-N 436.318 1.379 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674257 GZPHKBSTTOEKRM-PWSUYJOCSA-N 427.332 1.655 30 10 IDEE C=C(CS(=O)(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247902740 BNADPZCEFMYWJY-UHFFFAOYSA-N 446.375 1.323 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2249491910 XRIJOONJMOHEBK-UHFFFAOYSA-N 433.261 1.725 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 2255694715 SDIBTDKQVXMLBW-KRWDZBQOSA-N 426.326 1.528 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255697916 DYKXXRHCROMONQ-NRFANRHFSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2255702083 ASKNRISCHZGQHB-UHFFFAOYSA-N 433.274 1.974 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255806789 KFPLPHQHVHXDSE-UHFFFAOYSA-N 436.314 1.681 30 10 IDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255821800 GPAFQSHFIVKMNU-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255823215 SXXGQPLUVKRLIA-QGZVFWFLSA-N 429.326 1.369 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@]2(O)CCCN(Cc3ccccc3)C2)OC1(C)C 2267189663 DFQFOICLVDMTJB-HSZRJFAPSA-N 440.353 1.466 30 10 IDEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267274485 AVVLMLJGSSYUAN-KRWDZBQOSA-N 439.369 1.851 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)n1 2267503791 JIJFBJVRYAMYFV-UHFFFAOYSA-N 447.341 1.713 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)n1 2267548984 WIEVSNTWIZNDAW-QHCPKHFHSA-N 439.369 1.899 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H]2COC[C@H]21 2267553295 YJSDZCAHKLYJIH-IAGOWNOFSA-N 447.341 1.774 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269047156 OHASDSBCNAWHMI-PBHICJAKSA-N 443.309 1.508 30 10 IDEE Cn1nc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2269068364 HJKLGZNQKOVQET-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322303976 RZWFJQHKFMZHCQ-UONOGXRCSA-N 437.321 1.984 30 10 IDEE CC1(NC(=O)OCc2ccccc2)CCC(O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367814856 KDLBVNIRRIAQNK-HOHBBMLPSA-N 434.558 1.885 30 10 IDEE CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 14029994 YWMIIOSTJZOOBJ-UHFFFAOYSA-N 449.558 1.954 30 10 IDEE CCNC(=O)[C@H]1CC(=O)N(CC(=O)OCC)/C(=N/c2ccc(C(=O)OCC)cc2)S1 59134381 BUGDWTJNKBORSI-BQHWHHKNSA-N 435.502 1.884 30 10 IDEE CCOc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254445573 RTKAOJZNTVZDBD-CABCVRRESA-N 426.516 1.942 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C)[C@@]1(C#N)CCOC1 471940873 DFHCXTAIOKNQLV-GOSISDBHSA-N 427.548 1.473 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c(F)c1 481055482 IGITWDNGPZBOSO-OAQYLSRUSA-N 442.516 1.950 30 10 IDEE CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 484647865 XMZHJAMRRXBKMU-UHFFFAOYSA-N 443.594 1.634 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 504092770 OIZBREKZIKRHOI-HSZRJFAPSA-N 444.532 1.949 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)CC1 506932116 PEYZSWGCXXCLCQ-UHFFFAOYSA-N 439.310 1.687 30 10 IDEE C=CCN(CC(=O)NCc1ccc2c(c1)OCO2)CC(=O)NCc1ccc2c(c1)OCO2 507334096 VVCMWWXCGKPZDF-UHFFFAOYSA-N 439.468 1.565 30 10 IDEE CC1(C#N)CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 507827840 TWGPTJLUOFIDSM-UHFFFAOYSA-N 446.529 1.921 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N(C)Cc1nnnn1C 508725461 ZMQFDGAHIBWUCE-UHFFFAOYSA-N 443.537 1.076 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 521439174 UFPJQHUWUNUVMC-UHFFFAOYSA-N 434.500 1.457 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 533671039 KDKNXPIOHIGUQV-QUCCMNQESA-N 437.947 1.854 30 10 IDEE Cc1csc([C@@H](C#N)C(=O)CSc2nnc(CCc3c(C)nc(O)n(C)c3=O)o2)n1 585191005 BPUPSLZVSSARCQ-LBPRGKRZSA-N 446.514 1.696 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCCO2 590994641 FJPUPRZMOMQPNL-UHFFFAOYSA-N 447.516 1.699 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 609458520 TYYGWQGRQKDBCS-HXUWFJFHSA-N 436.578 1.788 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@@H]1CCCO1 614904046 IEZKUVYBXSXOHW-HNNXBMFYSA-N 426.494 1.546 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccccc1 727416691 XWPKZCTVOMFMTQ-UHFFFAOYSA-N 437.521 1.597 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCSC 729669965 YKGCBWFGRFKKJP-UHFFFAOYSA-N 439.566 1.116 30 10 IDEE C#CCN(CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 731666690 PCASYXQAQVSNRV-HNNXBMFYSA-N 430.473 1.078 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 731862554 GXNDFRJZZMAJSK-LCIOQVQZSA-N 447.289 1.445 30 10 IDEE COCCN1CCC[C@@H]1CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 732466834 PWYLATLRKZBAMZ-XKAFOEQXSA-N 437.566 1.732 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)C[C@@H](C)O1 732650069 ZGKJJCUWFQEFFC-GPMSIDNRSA-N 432.546 1.297 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CC(C)(C)C 733057979 WBDJCABXJPGPNE-AWEZNQCLSA-N 429.564 1.776 30 10 IDEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 741062988 WEPOZSAEVWPLKO-SHUBJWRZSA-N 442.563 1.398 30 10 IDEE COc1ccccc1NC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745494859 CNUDMQHWAGXAQU-ZDUSSCGKSA-N 431.470 1.694 30 10 IDEE N#Cc1ccc(NC(=O)COC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 746750338 PCJSIYIDIRDEFF-NRFANRHFSA-N 432.436 1.516 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 748065335 LTFIWUFMPMPKLD-UHFFFAOYSA-N 428.510 1.446 30 10 IDEE C=CC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 756675550 FZWRNOHFUYVQHN-CYBMUJFWSA-N 433.324 1.137 30 10 IDEE C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758075197 FDTGALZMQXIJLZ-UHFFFAOYSA-N 425.466 1.578 30 10 IDEE CC(C)Cn1c(N2CCOCC2)nn(CN2CCN(c3cccc(C#N)n3)CC2)c1=S 760549636 CNKZFVSDLMEWIL-UHFFFAOYSA-N 442.593 1.953 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)[C@@H](C#N)C1 763323023 MKIXBCXYQRXOJD-AWEZNQCLSA-N 441.531 1.150 30 10 IDEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cccc(S(N)(=O)=O)c1 765230936 ZINLFOHNSXSKKO-UHFFFAOYSA-N 447.288 1.744 30 10 IDEE C#CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)[C@H]1CCS(=O)(=O)C1 769716500 KTSVSOLSFOMFKL-LBPRGKRZSA-N 434.392 1.766 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCO1 773560026 QFBASLBMQNNGDZ-IRXDYDNUSA-N 445.463 1.902 30 10 IDEE N#CCOc1ccc(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 776042793 UTKCIAUYFYVXPD-SFTDATJTSA-N 433.512 1.987 30 10 IDEE CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780174369 BXFVFDKKSOAOTR-VLIAUNLRSA-N 425.482 1.480 30 10 IDEE CCOC(=O)c1cn(CN2CCN(c3c(C#N)c(C)nn3C)CC2)nc1C(F)(F)F 788044864 PFVZFAFTMGFEBK-UHFFFAOYSA-N 425.415 1.772 30 10 IDEE CCOC(=O)C1=C(CN2CCN(c3ncccc3C#N)CC2)NC(=O)N[C@@H]1c1ccco1 796261233 RARMEAAYVKCRNV-LJQANCHMSA-N 436.472 1.540 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 812178358 DUYIFKYITUYTJZ-CVEARBPZSA-N 436.557 1.981 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 813809331 RYLTYYKHHAGXQT-HZPDHXFCSA-N 425.551 1.608 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1 915100236 NEOIDZMVXSHQCX-MRXNPFEDSA-N 441.513 1.642 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 916775357 SBYJXSHZNQQSBA-UHFFFAOYSA-N 426.454 1.270 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CCOC)CC1 920297706 DSQWKLXORXWPIC-SFHVURJKSA-N 436.578 1.465 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2cccc(C#N)c2)n[nH]1 1084396193 SNEOUVVGWBIRDP-UHFFFAOYSA-N 439.505 1.659 30 10 IDEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc1 1084575183 UWZZSLKBRGOJHS-UHFFFAOYSA-N 428.478 1.810 30 10 IDEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@](C)(C#N)CN(C)C 1128703925 QZKCJJALVIUQRS-HKUYNNGSSA-N 434.338 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1136758678 FFZZMDHBPCJGDF-XXBNENTESA-N 428.533 1.985 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2cnn(C)c2)c2noc(C)n2)ccc1F 1141500123 BBTHMHZSKCAUFW-INIZCTEOSA-N 434.453 1.234 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC1(C#N)CCCCC1 1147668441 JQSIGVVYQSPBFC-QGZVFWFLSA-N 441.575 1.358 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCc3ccncc3)CC2)ccc1F 1150248325 ZIQITMQTDNSTOT-UHFFFAOYSA-N 432.521 1.686 30 10 IDEE Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC#CCO)c(C)c1 1155732902 GNUYMQBQOQSMPW-UHFFFAOYSA-N 428.554 1.957 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1167622852 LVDQJPXRJDZDRS-QGZVFWFLSA-N 447.538 1.291 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1171439801 PFAGPCMNBBJOEC-KGLIPLIRSA-N 431.917 1.693 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCCC2(C#N)CCOCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1198371468 AFOXLNYLJARQTL-SJORKVTESA-N 427.567 1.805 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 1230853281 NUUWOPDACRYQOQ-MRXNPFEDSA-N 429.546 1.128 30 10 IDEE C=CC(C)(C)CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1251152526 IXEPGTRRJRQPLK-UHFFFAOYSA-N 430.571 1.475 30 10 IDEE C[C@@]1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1(Br)Br 1264322203 UICBXJANEKKVNN-LBPRGKRZSA-N 433.104 1.953 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1286306555 WHWSFJNYVCYXTQ-GJZGRUSLSA-N 426.477 1.312 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1286361227 MHNKZZQRNASPQP-HZPDHXFCSA-N 446.577 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)C(=O)NCC)CC1 1286490284 PLYNDQPUDPSBGG-UHFFFAOYSA-N 439.564 1.412 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286775528 LZSOLJPGXRGRGI-UHFFFAOYSA-N 429.594 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2CCCC[C@H]2C1 1286819758 VAUVLWBAFINQDE-SFHVURJKSA-N 430.578 1.924 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)COc2ccc(C#N)cc2)C1 1288731525 XXHRGIILCCPQDK-KRWDZBQOSA-N 437.518 1.477 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1Cc1ccc(C#N)o1 1288809072 QKFQZIOMRMBPIK-GJZGRUSLSA-N 448.549 1.533 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 1289309851 FIPIJSVFMPFSOB-KRWDZBQOSA-N 447.538 1.114 30 10 IDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)OC 1292184833 NXRVLYZUJPPTRA-ZWKOTPCHSA-N 437.504 1.714 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1296615804 XFKACLIRWKZMAK-QFBILLFUSA-N 435.506 1.066 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC)C1 1297787070 GJTRLFRZJOKGOU-GOSISDBHSA-N 448.549 1.283 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1298583999 GQPAEMLTTFUJDV-IINYFYTJSA-N 425.359 1.504 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300497170 XRVNZBNATYZBCF-KRWDZBQOSA-N 435.594 1.867 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCOCC1 1300544732 DAWIHTMLERRZTJ-UHFFFAOYSA-N 430.512 1.603 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1300548832 QBHQNCJDJFVXBD-UHFFFAOYSA-N 435.528 1.803 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)c1ccccc1 1300595748 IPFVNOOUECIOFZ-UHFFFAOYSA-N 429.546 1.838 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC2CC2)CC1 1300708036 MCOYRXRLIKYFLI-UHFFFAOYSA-N 442.951 1.792 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1300734634 ZKBSOXQVRUMZTA-HNNXBMFYSA-N 428.628 1.175 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCOC1 1300876661 UWRNSBQMJHXDKU-VQHPVUNQSA-N 427.571 1.342 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C1CC1 1301500265 KQFMXFFBNBMDEK-MRXNPFEDSA-N 447.536 1.791 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC(=O)NC(C)C 1301773595 DKFQASUWTXOADR-UHFFFAOYSA-N 434.504 1.784 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1303008899 BWQSLECCNYATFP-AWEZNQCLSA-N 442.373 1.403 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@@H]2CCCO2)c1 1303940427 AHWMLICYZCXPQC-UHOSZYNNSA-N 436.530 1.724 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1304002194 NDIOHHBHRKHQEI-GUXCAODWSA-N 425.551 1.810 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1313992894 BKKBVODSABVEEV-UHFFFAOYSA-N 427.509 1.067 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCOCC1 1358885962 UZJSORVUGRCQQD-IRXDYDNUSA-N 445.593 1.417 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 1358963868 PGBQHTMKMAQGGQ-IBGZPJMESA-N 442.589 1.901 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1359033484 DHBAMKKEXHSPJA-UHFFFAOYSA-N 436.541 1.547 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359077702 JGCBYUILUVPBMD-QWHCGFSZSA-N 437.360 1.534 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1359466616 FEBKRLREPTZFNP-CVEARBPZSA-N 425.603 1.606 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)NC(C)(C)c3cccc(C#N)c3)cnc21 1437605800 FASSDLHFYODYKA-UHFFFAOYSA-N 429.278 1.816 30 10 IDEE C=CCN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1442758833 VULPILATAPUEFY-UHFFFAOYSA-N 436.555 1.626 30 10 IDEE CN1CC[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)[C@H]1c1ccc(Cl)c(F)c1 1447099762 DTYUGOCCECQHRT-SCLBCKFNSA-N 433.871 1.812 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)CC1(C#N)CCOCC1 1459590647 HPPDFSGQKBJTOX-IRXDYDNUSA-N 425.526 1.542 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@@H]2CCCO2)CC1 1460858188 GLNVVXYJJRFNAP-BHIFYINESA-N 430.524 1.804 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@H]2CCN(O)C2=O)cc1 1468376460 WUQISKGAYSCIIF-RBUKOAKNSA-N 429.498 1.217 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 1468607773 JVFIGHRRFLIBEK-INIZCTEOSA-N 431.514 1.506 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)s1 1471385954 LTVFJSLFLDYNDT-SJORKVTESA-N 427.592 1.249 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N(C)Cc1cc(C#N)cs1 1472142901 JGHNHIFDEMXQGQ-KRWDZBQOSA-N 449.554 1.820 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(NS(N)(=O)=O)CC2)n(-c2ccc(F)cc2)c1C 1473704440 JTYAPTQIOMKRLI-UHFFFAOYSA-N 448.524 1.301 30 10 IDEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1492467229 ABCZZZJCIXPIMU-OAHLLOKOSA-N 436.563 1.157 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ncc(C)s1 1507616566 KWSBCNKRUGBGGW-HIFRSBDPSA-N 438.579 1.249 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC1 1507723460 JINWIXYDQSFOSN-KRWDZBQOSA-N 444.486 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2([S@](C)=O)CCC2)CC1 1507738927 ICZSTLXYEQUVDW-ZOKDDAQRSA-N 433.578 1.049 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507756954 SFGCUJYHNUMJBE-ZDUSSCGKSA-N 427.621 1.870 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507916203 LVWUWQNGUKTBQM-WMZOPIPTSA-N 432.594 1.959 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1507992652 CRLCKOHXKPBQMZ-KRWDZBQOSA-N 430.534 1.274 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)NC 1507998302 DXIANXDIUNQOOM-SFHVURJKSA-N 430.534 1.395 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1508176121 RKLASYWHGJCVIE-UHFFFAOYSA-N 426.521 1.663 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1509953804 NVUQNGJCFMSBAQ-NUJGCVRESA-N 446.581 1.621 30 10 IDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1(C)C 1512564909 FWDASKJUUCICLH-BTYIYWSLSA-N 445.545 1.370 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1516838437 YFJZMBSJVFZRRJ-LJQANCHMSA-N 431.497 1.588 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C[C@H]1O 1517687911 FDYZTCRWOQIAOF-QXAKKESOSA-N 425.489 1.604 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1519051757 BCAHSDRBVZGVKQ-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(I)c1 1538266636 UEIAJNWWGNLASJ-GREKMHCPSA-N 447.232 1.908 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1538973513 OAYUJGIVXUFSFI-NXEZZACHSA-N 433.431 1.951 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)c1ccccc1 1539186581 INYQLIKWWCGTQL-UHFFFAOYSA-N 449.540 1.565 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1539216977 YMVQVIOVUBPTCB-ZDUSSCGKSA-N 437.909 1.385 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539219848 GAZMRKIGBMHMBH-QZTJIDSGSA-N 431.562 1.746 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(Cl)cn2)CC1 1539431613 WAVRTASIJVDQRB-HXUWFJFHSA-N 433.944 1.236 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C 1540876672 XXSNJDDSHPTFAT-UHFFFAOYSA-N 445.612 1.449 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1541808418 CJYKGVVDRWJQBZ-LPHOPBHVSA-N 425.537 1.364 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1544053925 NNZGWCYSGYLQTP-INIZCTEOSA-N 437.493 1.102 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)C(=O)NC 1548298790 BYKHUFDCTSRYRX-HNNXBMFYSA-N 446.577 1.848 30 10 IDEE CS(=O)(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548380034 OWDXWABUIJORDI-HNNXBMFYSA-N 430.452 1.683 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1 1557718140 FESQPGOUSAYENP-UHFFFAOYSA-N 431.518 1.528 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cn(C)cc(Br)c2=O)s1 1566960428 MJCUWJWYUUUQCN-UHFFFAOYSA-N 446.348 1.855 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1570844415 FTXHBZJHVRTTSQ-NSHDSACASA-N 435.399 1.654 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 1585296565 LLIVBPVAAOUGBW-XUTLUUPISA-N 427.388 1.614 30 10 IDEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)nnc1-c1ccco1 1586487529 GUYATZFIJCONOI-CYBMUJFWSA-N 425.536 1.356 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588049162 BCVKEKYMDQZJTM-GOSISDBHSA-N 446.577 1.655 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588619704 BZJYEACNMUFWLU-INIZCTEOSA-N 426.443 1.622 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCCC2)CC1 1588732589 CXPYYGKMBYHKPV-UHFFFAOYSA-N 436.564 1.557 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCS(C)(=O)=O)CC1 1588780443 PYSSEQHDKFKEQY-UHFFFAOYSA-N 439.944 1.928 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1589047819 KFJDZPAVNJTLAY-LJQANCHMSA-N 439.589 1.449 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(C#N)CC1 1595823566 PFROBTPTJVGQQA-UHFFFAOYSA-N 431.566 1.871 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCCO1 1595823706 RJTADXIOXQUBPY-MRXNPFEDSA-N 425.555 1.007 30 10 IDEE C[C@]1(C#N)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CCO1 1598177301 APIHBSFZFVZDHM-KSSFIOAISA-N 427.548 1.428 30 10 IDEE CCN(CCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1615643330 CPBMZQIRLAJCEV-OAHLLOKOSA-N 428.497 1.721 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)CCOCC(F)(F)F)o1 1620351264 UJNFUDRWQYSJPO-AWEZNQCLSA-N 442.398 1.120 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1621797282 ARAKCUIDUMOJKT-SECBINFHSA-N 427.317 1.904 30 10 IDEE N#Cc1ccnc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)c1 1627179248 GWOWOIQGRNYBLF-OAHLLOKOSA-N 432.221 1.871 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(O)nc(S)n1 1628255713 YTRJFXCQTKBUBC-ZDUSSCGKSA-N 435.531 1.241 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)s1 1633544626 LIGJAIJHFSJPNK-IBGZPJMESA-N 448.526 1.253 30 10 IDEE C#CCn1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)cn1 1634636320 OAFUVVLYTDCOFJ-INIZCTEOSA-N 436.559 1.433 30 10 IDEE CN(C)C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 1634957732 GDSFMFAQGUEWFC-QGZVFWFLSA-N 434.949 1.952 30 10 IDEE CNC(=O)CNC(=O)c1cccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1635084386 SAMPRZFCKJLRBN-UHFFFAOYSA-N 442.516 1.751 30 10 IDEE CN1CC[C@@H](N2CCC(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C1=O 1636124239 BNCPEDBGRAVNHJ-LJQANCHMSA-N 432.546 1.189 30 10 IDEE C#CCN(CC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)C(=O)OC(C)(C)C 1640535203 NMOUZCFEZMFDCH-UHFFFAOYSA-N 435.546 1.692 30 10 IDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)C1 1644815713 RVSQYCCNEVVMHW-WOJBJXKFSA-N 436.556 1.599 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2ncccc2N2CCC[C@H]2C1 1646919071 ULKKBKKVMNJFQY-RDJZCZTQSA-N 425.514 1.631 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@](C)(CO)Cn1cnc2ccccc21 1647941793 JKJDHGZUZIUIGZ-QVKFZJNVSA-N 441.513 1.142 30 10 IDEE C[S@](=O)[C@@H]1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1649109487 OINDDNFZJKEZSA-WDYLCZHCSA-N 425.576 1.701 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cccc(C(=O)OCC)c3[nH]2)cc1 1653490628 NQKSNJWPZWXMOF-UHFFFAOYSA-N 426.454 1.903 30 10 IDEE CC(C)Oc1ccc([C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(C)C)cc1 1682886529 SNLKUEQORLUYSI-DSKINZAPSA-N 434.562 1.656 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1689824296 MJGIHVQICOHIRA-OAHLLOKOSA-N 433.472 1.296 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1689853382 RWZQFOQLOTXFMM-KSZLIROESA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689993762 KUINXWKWODAVLT-SFHVURJKSA-N 431.562 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCCNC(=O)OC(C)(C)C 1689998543 OYSGVJYOHOPJTA-UHFFFAOYSA-N 428.537 1.892 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCN(CC)CC1 1690015804 XXVQSEXGZSVEMO-GOSISDBHSA-N 437.548 1.105 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)nc2)n1 1690109258 MBTJUHBJNPYHIY-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](OC)C2CC2)CC1 1690115153 VBETXQDNQGBOEN-HXUWFJFHSA-N 443.573 1.529 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690130917 PYCVKODKVZEHQZ-NTKDMRAZSA-N 439.560 1.367 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1690139318 HJJWCBHOVDBRDF-RUZDIDTESA-N 448.571 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CC2)CC1 1690139463 NSRJVLPRGAJKPO-UHFFFAOYSA-N 445.545 1.390 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(C)CCO[C@H]2C2CC2)CC1 1690152756 WTXVKPKVXJCPEN-REWPJTCUSA-N 429.565 1.986 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690311974 YDQUDKBAOLHGFS-UYAOXDASSA-N 446.596 1.902 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690351122 IMYZKFGHIRNHPD-YJBOKZPZSA-N 449.987 1.142 30 10 IDEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690486506 KTOOGJSEIHKZSI-UHFFFAOYSA-N 439.499 1.310 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690508412 ILRJLIMTMNCUPC-FQEVSTJZSA-N 446.596 1.509 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(CC)n1 1690527603 QIBYBZGXWVHBHH-OAHLLOKOSA-N 440.595 1.495 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1690671918 CHNKGBMIKJBMQI-UHFFFAOYSA-N 430.516 1.889 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(OC)c1 1690714063 CYTMIZLCHQHLJG-UHFFFAOYSA-N 447.561 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cnn(C)c1C 1690726498 CAKGBTHMZQSZOW-UHFFFAOYSA-N 429.550 1.543 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCN1c1cnn(C)c1 1692518114 JJBJJBZMSXADHQ-QGZVFWFLSA-N 439.568 1.949 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCC(C)(C)O)CC2)c1C#N 1693405895 GSZXVNPCUPOZTJ-QGZVFWFLSA-N 442.568 1.573 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1693812029 WSJARYMIESUHRT-IXRNKUJNSA-N 430.509 1.660 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4CCCC[C@@H]4C3)n2CC(=O)NCC(F)F)c1 1698486508 ZCARUSGOYYGREO-QGZVFWFLSA-N 429.475 1.873 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705524462 MDGIEQXDBRZBQG-MRXNPFEDSA-N 436.582 1.141 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705565469 IKNMFPBCYCNFSC-OTWHNJEPSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705565758 JZRJPPMAHUVVQO-ROUUACIJSA-N 430.530 1.488 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1705573390 FXBDZTVJCPBMPY-OAHLLOKOSA-N 431.518 1.027 30 10 IDEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1705608862 HPUVNTMLAGEGMF-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cccc(N2CCOCC2)n1 1705626390 UYHDCUXNLKPMML-UHFFFAOYSA-N 433.516 1.706 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705640369 ORLIZOVOEXIAEE-UTKZUKDTSA-N 445.514 1.954 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1705674396 IGEXTUYLQQMOJJ-HRAATJIYSA-N 433.578 1.621 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCOC2)C1 1705697313 LDEFRTWIZSCDKV-WEMPKCCASA-N 436.553 1.979 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705706146 QHTJYROJCOIYJF-MDKPJZGXSA-N 430.553 1.439 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(OC)C2CC2)CC1 1705768928 DGUUIHSNKUFYKS-FXAWDEMLSA-N 439.582 1.583 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](C)N(C)C 1706619275 AKTNTOMCLUXEHM-MRXNPFEDSA-N 442.543 1.704 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1711287386 HIDHLXHYCZDHFV-MRXNPFEDSA-N 430.534 1.212 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1712392068 MFCUDPXDLKLVPA-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722360574 AUDRJJCAYYVDRL-VQTJNVASSA-N 427.574 1.912 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722369565 BEWNLFLTKGNHCF-QGZVFWFLSA-N 436.509 1.637 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1722391849 WLSHAVNBFLLJFK-UGKGYDQZSA-N 448.589 1.749 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2snnc2C)CC1 1722447083 DIBUDQLRWOJVER-INIZCTEOSA-N 429.550 1.346 30 10 IDEE C=CCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722690419 FQXTVVDDIRSDON-FZNQNYSPSA-N 441.536 1.891 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C2CCCC2)CC1 1722727450 IRYUOIVHYQTBNA-SFHVURJKSA-N 437.610 1.838 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1723022772 CTNUIWXFMHXMQU-OYXYVDCMSA-N 431.559 1.169 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1724278647 AFSQLZSHILHBEO-IPMKNSEASA-N 427.505 1.743 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](COC)OC 1727008617 AQAVTELWWKKSPN-ULQDDVLXSA-N 428.541 1.830 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1729186695 FKAYTKJUYSRYME-HNNXBMFYSA-N 444.561 1.602 30 10 IDEE CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1729529781 ZBYHAMXXWUGCOH-SFHVURJKSA-N 438.536 1.919 30 10 IDEE COCCOCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1730921705 DUTFXTZDQQSOBI-VQIMIIECSA-N 429.477 1.572 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCN(CC)CC1 1740559207 YRVWHYCQJZLIKT-QZTJIDSGSA-N 443.621 1.754 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740579836 UVHLBNQCNYYJEE-NRFANRHFSA-N 436.560 1.783 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(C)COCCO2)CC1 1740699618 NFFBIVRRHUQBKN-QHCPKHFHSA-N 425.533 1.726 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740960009 IXSKMNXONRMFQN-DLBZAZTESA-N 429.525 1.625 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(=O)NC(C)C)cs1 1742591193 ZUXVLCWGMFQZCB-GOSISDBHSA-N 442.593 1.725 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1743783602 OMGGFZNPMUPWFX-FJIDUMEYSA-N 436.582 1.725 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1743886755 DJBFPZMFSMMYJB-CRAIPNDOSA-N 444.561 1.745 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCOCC2)c1 1748684952 RLSKVQLMLYPWHN-QGZVFWFLSA-N 438.532 1.860 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC(C)C 1748773798 GSFVDYBQSKEGFH-UHFFFAOYSA-N 427.534 1.732 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1748984062 KKYIHIQHWUZOCH-LJQANCHMSA-N 442.589 1.290 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1748989253 JJMBAWLHRICFTP-OALUTQOASA-N 448.637 1.056 30 10 IDEE C=CCNC(=O)Cn1c(N(C)CCNS(=O)(=O)c2ccc(C)cc2)nnc1C(C)(C)C 1749681794 JAYKYCUMOJZABO-UHFFFAOYSA-N 448.593 1.601 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2scnc2C)C1 1749712965 NYMFWSJXBPGOPU-JKSUJKDBSA-N 437.591 1.969 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCc2ccco2)C1 1749716910 DTLWLDOWGOVNQB-LJQANCHMSA-N 439.520 1.830 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)C1Cc2ccccc2C1 1749721459 KPEFSCYXFPFEOQ-UHFFFAOYSA-N 431.562 1.621 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1749724963 PAKZIJOOQNOIEZ-IBGZPJMESA-N 442.545 1.522 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC2CCCCC2)CCOC1 1751025860 JLWRLFAEGRVCBU-XMSQKQJNSA-N 446.552 1.496 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCCN1CCCC1 1751215737 AEDHPAVESRULFO-QFBILLFUSA-N 441.577 1.596 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCOC2)c1 1760128414 HPDWYSDUULOGBI-JPYJTQIMSA-N 439.516 1.380 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ncc(CC)s2)CC1 1760257410 VYNBIUHCRKDTKR-JOCHJYFZSA-N 444.605 1.947 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760335443 MVZSAUMBCFVCSE-XYJFISCASA-N 447.565 1.186 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760527986 OQLKRGBFFAAUGQ-WMZOPIPTSA-N 440.573 1.896 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CN(C)C2=O)C1 1760550305 WGDPXPWFRNTSQG-VFNWGFHPSA-N 444.561 1.529 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760556574 IKMJEYNFTDPOIS-GOSISDBHSA-N 446.602 1.708 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1760688282 FBLWFMMHVPFXPT-WDEREUQCSA-N 428.506 1.780 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1761357628 GYHPJVDNCOSLGL-GOEBONIOSA-N 445.549 1.212 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(OCC(N)=O)c1 1764917104 CSNBIMQSCUJEDD-UHFFFAOYSA-N 446.515 1.346 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)CC1=O 1769899867 GQJOSFHHDOGYBL-GAJHUEQPSA-N 438.532 1.663 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2nccn2C(F)F)cc1 1771534473 CFPFUXXRVPZVCD-AWEZNQCLSA-N 442.430 1.680 30 10 IDEE C=CCOC[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)CN(C(=O)OC(C)(C)C)CCO1 1772794351 IUUYRFZKYWXKPP-QFIPXVFZSA-N 446.456 1.950 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1772889330 ZUKJFDFFEWODCG-GKBFQHABSA-N 441.532 1.987 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCN(C)C1=O 1848937098 VXSOGDDDNMCDBE-SJORKVTESA-N 443.928 1.878 30 10 IDEE COc1cccc(C#CCNC(=O)CCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 1850185124 PHHRGJXNLGDXIW-IBGZPJMESA-N 429.542 1.969 30 10 IDEE C=CCN1CCN(C(=O)CCONC(=N)c2nnn(Cc3cccc(F)c3)c2C)CC1 1853491756 ZBZPRCXJUVXNKZ-UHFFFAOYSA-N 429.500 1.341 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)CC1=O 1856099078 SLMQIIWOUVNOLK-INIZCTEOSA-N 427.473 1.365 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1=O 1856805427 PUVUIMVPQKGFIS-VXGBXAGGSA-N 432.857 1.361 30 10 IDEE COC[C@H](C)OC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858964713 JQXUCOAQGIWGEO-AWEZNQCLSA-N 431.470 1.938 30 10 IDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCN(CC)CC1 1870535109 HITJFXGOPBJVTJ-UHFFFAOYSA-N 433.597 1.009 30 10 IDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)cc21 1891705607 LABTYXRQSGQLME-OAHLLOKOSA-N 428.470 1.878 30 10 IDEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060632650 DLXRQNKUSRAARR-CQSZACIVSA-N 436.318 1.644 30 10 IDEE CN(CCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)Cc1ccccc1 2247881809 FEZBMBSNCYCSSL-UHFFFAOYSA-N 431.367 1.791 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255613393 CAQYLOSJKJNEFC-YEJXKQKISA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NCC1(F)CC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628772 MVSNMOALFZZJCX-UHFFFAOYSA-N 438.309 1.834 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255647373 XUSMVAPECYPPJP-DZGCQCFKSA-N 432.330 1.761 30 10 IDEE Cn1ncc(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267014313 XHOZYOVJPVUHII-RCDICMHDSA-N 446.357 1.849 30 10 IDEE C[C@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@H]1NC(=O)C(F)(F)F 2267269402 DJHQYICAELBKBV-SWLSCSKDSA-N 441.259 1.910 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267545684 MKVXTYAGHFSGOY-AWEZNQCLSA-N 449.361 1.443 30 10 IDEE CC1(C)OB(c2cc(O)c(C(=O)N(CC(N)=O)Cc3ccccc3)cc2F)OC1(C)C 2317269927 RAZVFMWNDWVEAZ-UHFFFAOYSA-N 428.269 1.958 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2317677512 WKHBIQAOTRPVSY-OAHLLOKOSA-N 437.346 1.594 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2337206262 KYNHWQIRBGYBMN-RRFJBIMHSA-N 446.357 1.847 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337289660 LKXKCPBGPZJPCF-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE C#CCNC(=O)C[C@@H]1c2nc(NC(=O)COC)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO 4222472 QMGCLEBLJSVKJV-YVVVUQMQSA-N 449.573 1.283 30 10 IDEE biogenic N#Cc1ccccc1COc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 33220171 HIABLEADHRMUCM-UHFFFAOYSA-N 448.523 1.754 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 437045538 KJBDFEUONCRLMF-IEZWGBDMSA-N 436.530 1.675 30 10 IDEE COc1ccc(CN2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)c(OC)c1OC 438326752 KCAULNQPFASNPZ-UHFFFAOYSA-N 428.493 2.172 30 10 IDEE C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 438538985 GXMKGLCDBCAURH-MRXNPFEDSA-N 427.530 1.656 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(C(=O)c2ccccc2)CC1 465212337 DGIGDOIJBQGNIM-KRWDZBQOSA-N 433.516 1.873 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 466136413 DYQYIDRPJBLUGE-UHFFFAOYSA-N 443.485 1.725 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCn3c(CO)nnc3C2)cc1 471029932 RWBMLCCMIMEASZ-UHFFFAOYSA-N 435.488 1.513 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@@H]1CCCO1 477443500 MXJBGDCZMSCGTJ-AWEZNQCLSA-N 447.582 1.578 30 10 IDEE CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 507536861 PTBRHBYUHAUQGH-UHFFFAOYSA-N 435.527 1.698 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@@H](CC)C1 508831315 BJKQEYQJYRRHHT-KRWDZBQOSA-N 447.609 1.971 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 508930539 FIFIAPMTGQOMEU-IAGOWNOFSA-N 425.555 1.050 30 10 IDEE COc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 511684717 XSMGIDJFKQHLKH-QGZVFWFLSA-N 433.461 1.850 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C 535320728 JIDGCHOTDKWYDF-BEFAXECRSA-N 428.514 1.041 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 537394969 UPTQKGHYQBAEPS-UHFFFAOYSA-N 441.553 1.921 30 10 IDEE C[C@H]1CC[C@]2(CCN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2)C1 541952623 TWZABOYSWQKGKZ-AVRDEDQJSA-N 430.574 1.903 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 554746615 ZHRJAJAPFMWXOZ-UHFFFAOYSA-N 428.514 1.243 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 555250272 IKNPUBKPBJYJNI-LJQANCHMSA-N 432.569 1.513 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)cc1 557896108 HTLOILMXPSJHJA-UHFFFAOYSA-N 426.517 1.860 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2[nH]cnc2C(=O)c2ccccc2)CC1 562185333 HNBZGFCOGORWAU-UHFFFAOYSA-N 449.492 1.659 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(-c3ccccc3)s2)c(=O)n1CC(N)=O 589157659 KGMGSFNBSCDQEG-UHFFFAOYSA-N 449.557 1.996 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1 603445561 SRTSMOXTDVIDRK-UHFFFAOYSA-N 426.527 1.605 30 10 IDEE CC1(C#N)CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 611555823 HEVSTRHBYOVFKC-OAHLLOKOSA-N 440.547 1.310 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C[C@H]1CCCO1 614904016 AFTXBXQYMHIKBV-MRXNPFEDSA-N 440.521 1.588 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670210984 AGIBLZURZJEXRJ-WSTZPKSXSA-N 434.585 1.567 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C#N 747498202 OTWWSGJDSZHFPI-UHFFFAOYSA-N 435.484 1.209 30 10 IDEE COc1ccc(CCn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 748064954 DSTDBUNAHPASLN-UHFFFAOYSA-N 448.548 1.767 30 10 IDEE COc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC)c1 756780633 QEBXXRIRRJVABQ-QGZVFWFLSA-N 438.488 1.086 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767882416 FIGZVDXWGLDPDM-UHFFFAOYSA-N 435.534 1.502 30 10 IDEE C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccn2)CC1 780177260 MJNOCGMGUMGHTC-QVKFZJNVSA-N 431.493 1.319 30 10 IDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)C1 780209088 HEJOXPQEKMUAGQ-KKSFZXQISA-N 427.501 1.632 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 780857045 TYPCLDKBPGUAQH-OAQYLSRUSA-N 425.510 1.613 30 10 IDEE N#Cc1cccnc1NCCNC(=O)C(=O)N1CCc2cccc(Br)c2C1 787775889 RPKIWSFKAJDRQP-UHFFFAOYSA-N 428.290 1.829 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)n1 789324905 XIRWIAMXMADLHE-IBGZPJMESA-N 427.524 1.841 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CCSC2)C1=O 794442073 RSLRDJSOAKBHNY-CVEARBPZSA-N 449.602 1.290 30 10 IDEE CC(C)[C@@H](NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc2c(c1)OCCCO2 798740806 CCTPIFVIZOWPLX-VBKZILBWSA-N 427.461 1.929 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@](CO)(c2ccccc2)C1 801473088 VTELOXSZMUAOJW-JOCHJYFZSA-N 427.526 1.668 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CN(C)CCOc1ccc(S(N)(=O)=O)cc1 814232281 ZUAXWRFRQBRZTR-UHFFFAOYSA-N 426.502 1.741 30 10 IDEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)c1C 1084155412 JRXGHMRVPKTBJZ-UHFFFAOYSA-N 429.510 1.439 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2cccc(F)c2)n[nH]1 1084464261 VWAFHEAOLAXQDZ-UHFFFAOYSA-N 432.485 1.926 30 10 IDEE CN1Cc2ccccc2[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 1131378380 QIZNBYOSIHYDEO-QUCCMNQESA-N 431.452 1.593 30 10 IDEE COc1cc(Br)c(OC)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1134428989 KHOUPSYSARAIFF-MGPLVRAMSA-N 429.292 1.477 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1150271838 NMCZFTBJOPKZDR-MRXNPFEDSA-N 428.555 1.646 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NOc3cccc(C#N)c3)c2)CC1 1151425617 OMAVKZVJFYSBOT-UHFFFAOYSA-N 428.470 1.135 30 10 IDEE N#Cc1ccccc1COc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1 1157916617 BMBRWAANIQBISL-LJQANCHMSA-N 428.514 1.925 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)cc1 1166141357 HWBCSIZLMHZNNM-UHFFFAOYSA-N 443.407 1.540 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC#CCN3C(=O)c4ccccc4C3=O)cnc21 1188725162 BZFNABUGWJXRKW-UHFFFAOYSA-N 426.230 1.192 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1196428964 APUDUJRYAHIHHY-GHTZIAJQSA-N 435.594 1.025 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)c1C#N 1253401662 ODJUMPCPWWYKIC-GOSISDBHSA-N 428.518 1.102 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286314413 NZYOYZAAHITTNU-NVXWUHKLSA-N 449.581 1.842 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1286352977 PKKUMJGIMNMLTO-ROUUACIJSA-N 449.533 1.195 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286392782 NTJHPEAAZOBZCR-HXUWFJFHSA-N 443.573 1.707 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC(C)C)CC1 1286472720 DCXUUQTWEJPNFI-UHFFFAOYSA-N 425.493 1.523 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286480914 QYPWKPHAQHNRNZ-OALUTQOASA-N 444.580 1.937 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)CN(C)C)CC1 1286491497 UPAZCFXEOGHQAF-UHFFFAOYSA-N 437.592 1.818 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@]2(CCOC2)C1 1286782036 IPMULBJWMBZTNU-FQEVSTJZSA-N 428.449 1.151 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286786428 RRRHGXDBBZCZSC-SFHVURJKSA-N 429.569 1.820 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286786744 YSLIZGGWEXNJLW-OAHLLOKOSA-N 445.474 1.136 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)C1 1286810399 QTDZJSWINQRCIL-IAGOWNOFSA-N 441.623 1.010 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1286816844 INPZMNSGLIXAAD-CALCHBBNSA-N 425.599 1.513 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCOC)CC1 1296367903 GWNFZEJIYIIBLZ-UHFFFAOYSA-N 441.536 1.673 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300304501 PAAKQUKIKWZGIC-QAPCUYQASA-N 426.496 1.711 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1300381832 WLFGZKVDRRIUNU-HNAYVOBHSA-N 425.555 1.076 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1C 1300464347 BQBWYBDQUQKYLY-QGZVFWFLSA-N 437.953 1.691 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1300479921 VKHYEEHZULXVHT-HNNXBMFYSA-N 437.591 1.036 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1300579374 ULYBTZWCZDZDFH-WOJBJXKFSA-N 431.606 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@@H](C)C1 1300591482 QVGXRECKBNNDRS-FQEVSTJZSA-N 426.565 1.364 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1300630938 JXFBWJXIDCDGOK-SFHVURJKSA-N 435.525 1.566 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOC(C)C)CC1 1300695748 IEDIJWQOVLFERB-UHFFFAOYSA-N 445.593 1.418 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2nnc(C)s2)CC1 1300709731 CZEDRWYPQLIGCG-UHFFFAOYSA-N 439.545 1.829 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300766014 PQEHBXUPFFTWEG-UHFFFAOYSA-N 448.618 1.491 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)nc1 1301180679 CTAKECKSQNHOEJ-OAQYLSRUSA-N 425.533 1.373 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301259935 TZZIZUZVXOBNBU-OALUTQOASA-N 427.553 1.980 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1301424814 OTULUDGXQKWMOS-HNNXBMFYSA-N 427.571 1.124 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CO)(NCC(C)C)CC2)ccc1F 1301532336 OFTMJZJULQMUDR-UHFFFAOYSA-N 427.542 1.503 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2CC)C1 1301539041 NGBXKNOLFUWYGD-GVDBMIGSSA-N 426.587 1.154 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)COCCO1 1301809081 KCHHUGKPXGVHFK-DENIHFKCSA-N 443.504 1.963 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1316350173 WCLPXJHGWRRZQI-FQEVSTJZSA-N 428.518 1.110 30 10 IDEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCc1ccco1 1316536388 QQUNTWKNVMHDIO-UHFFFAOYSA-N 425.493 1.554 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c2)NC(=O)NC1=O 1320309471 QIQZSEMYODHEEX-AUSIDOKSSA-N 433.468 1.896 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1358913659 UUYCWBCAJXNLHF-DLBZAZTESA-N 441.623 1.746 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1358961869 GPFLJYZOWSFFPE-LJQANCHMSA-N 441.557 1.514 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1 1358982593 CHEPJKFAAOYXOX-JOCHJYFZSA-N 442.541 1.042 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC=CCO1 1359023017 VUFUBYDTIAWORT-QGZVFWFLSA-N 444.561 1.669 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCn3ccnc3C2)CC1 1359029770 HMEVMQTVWBMZPE-RBUKOAKNSA-N 427.553 1.216 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC[C@H]2C)CC1 1359173847 PTGATXYFRUHEFG-CVEARBPZSA-N 426.587 1.011 30 10 IDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1359228556 GXIGCNDSNIQDRY-UHFFFAOYSA-N 430.534 1.344 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C(N)=O)CC1 1359293199 JZDFQHSGOGMPLB-UHFFFAOYSA-N 447.337 1.712 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359297491 SKQXFURVPAHMBU-UHFFFAOYSA-N 432.488 1.871 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC)[C@@H](C)C1 1359300500 DBWVDVOLXUYJEI-LPHOPBHVSA-N 426.521 1.623 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1359300655 HNQUSDXPAQQLPB-PKOBYXMFSA-N 440.548 1.740 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359301668 HDZIQRIZGPVTSA-SFHVURJKSA-N 441.511 1.351 30 10 IDEE CC(C)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359725033 YUSMJEJKWPMOCI-HNQLTLBLSA-N 430.509 1.312 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1360475833 DYIQZORRVUNVSU-WMLDXEAASA-N 446.533 1.450 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(C2CC2)CC1 1360680619 FXIYOULCQZVVBG-LIRRHRJNSA-N 439.561 1.205 30 10 IDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 1438152415 IRMSWAFCMPTOKJ-CQSZACIVSA-N 443.909 1.803 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2c(O)ncnc2O)CC1 1443659962 BDIVWSCTJPYHSJ-OAHLLOKOSA-N 432.278 1.602 30 10 IDEE C#CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@H]1CCOc2ccc(Br)cc21 1444128465 ZTGHTXDDMRVBKX-INIZCTEOSA-N 434.290 1.705 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cc3c[nH]c4ccc(Br)cc34)C2)c(=O)nc1O 1457202979 RZIRDUFWKKLLKA-UHFFFAOYSA-N 428.246 1.690 30 10 IDEE CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)ccn1 1464054005 BFHYAFINCRQRMQ-CQSZACIVSA-N 436.440 1.823 30 10 IDEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1467670199 PLQLUTVAKWEERT-HPGBDJQBSA-N 438.506 1.285 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CCC(O)CC1 1468121911 ATIXZGSZXFHYFK-UHFFFAOYSA-N 426.311 1.671 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1468880614 BWDPKZSUAVOIQR-QZTJIDSGSA-N 440.525 1.583 30 10 IDEE N#Cc1cn(CCNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(=O)nc1O 1472603412 HFKODVLSVOJOQQ-KRWDZBQOSA-N 445.479 1.642 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1479087839 BGJFSQPHVGNXPQ-UHFFFAOYSA-N 432.525 1.716 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)CC1 1503821767 CQIGYOLHXLAFRJ-UHFFFAOYSA-N 437.533 1.681 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)CC1 1503822028 FWUPIPCCCWZRKJ-UHFFFAOYSA-N 441.446 1.918 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@H](C)C2)C[C@H]1O 1503882084 RAKMGBBLEWKKQQ-RARDXLECSA-N 439.516 1.992 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1=O 1504906494 UMPCLCURAIBCNJ-JENIJYKNSA-N 438.532 1.925 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507574047 LJXDNWMSYFMMIT-MSOLQXFVSA-N 439.582 1.420 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCC(=O)NC 1507583809 WHPNOLWCXCKPMO-UHFFFAOYSA-N 431.566 1.614 30 10 IDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507588593 OIIQHSVOTNCXHC-UHFFFAOYSA-N 434.566 1.920 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1507615723 ASIGCQJOOZDRBQ-JKSUJKDBSA-N 437.566 1.649 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1507616480 JXFRETGOIXPZQS-MRXNPFEDSA-N 432.525 1.182 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCC(=O)N2CCCCCC2)n1 1507717565 WESDGDSOTLPFRI-UHFFFAOYSA-N 427.553 1.862 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CCC2)CC1 1507738453 PJCSWONHZXEKMR-INIZCTEOSA-N 430.578 1.481 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(=O)NC)C1 1507843572 OGCVEPLIUUVUEW-NRFANRHFSA-N 430.509 1.561 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1507958323 UFBCYXHJSZJPPP-VDGAXYAQSA-N 439.582 1.488 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1508062272 ZBRZKUHSBRUSNS-UHFFFAOYSA-N 426.496 1.617 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCOCCCO)cc1 1521089917 MMYCNBXPHPJISI-OAQYLSRUSA-N 445.545 1.231 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1S(=O)(=O)N(C)C 1531977605 CLRHYEIXGLVQFM-UHFFFAOYSA-N 434.543 1.841 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1539065322 FJLIGLRZOKHFPB-HXUWFJFHSA-N 449.559 1.793 30 10 IDEE Cc1noc(C)c1CSc1ncccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539118500 OMWNCPGFJWJFNW-IFXJQAMLSA-N 432.527 1.989 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539469947 HXVIWOMKCQHUAU-XMMPIXPASA-N 445.527 1.261 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCNC(=O)C1CCC1 1539628720 SQWCUUWNLXGULW-NSHGMRRFSA-N 444.580 1.953 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)c1ccccc1 1539766164 PAKCPNTYWFESLK-IERDGZPVSA-N 444.561 1.318 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cc1 1540765676 NACRCLJBQXMFBA-UHFFFAOYSA-N 445.472 1.730 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1540870724 VEHFIGLHQUDHKU-VQTJNVASSA-N 436.516 1.924 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540873769 JFDXIYZXBDSYLG-MOPGFXCFSA-N 438.532 1.449 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1540889847 VAHRIMXVHVPJBZ-RTBURBONSA-N 426.569 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CCC(F)(F)F 1540901979 WSVIPQJJOJZRCN-UHFFFAOYSA-N 449.455 1.995 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1540904097 KQVNSUZZLDOIKB-UHFFFAOYSA-N 449.581 1.265 30 10 IDEE CC(C)(C)n1ncnc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1541195084 ATSBGATZRHULBS-HXUWFJFHSA-N 438.471 1.762 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 1544486954 OXQPDGJRKOLJRT-HNNXBMFYSA-N 437.449 1.511 30 10 IDEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1544571325 DSNBTHHKJJLHNB-RDJZCZTQSA-N 432.525 1.704 30 10 IDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1546144142 DVOKFJPFXZJPFO-QGZVFWFLSA-N 436.582 1.931 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1547794439 AOJZIOCGPYCQRO-UHFFFAOYSA-N 447.446 1.477 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1548289353 NIMROXYOQVUXDL-VQTJNVASSA-N 427.505 1.864 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1552661969 FKUYPNINDKWSOC-VQTJNVASSA-N 443.596 1.855 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1555073044 AWUQQNRGJMMTNG-FQEVSTJZSA-N 432.550 1.557 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)CC1 1563113066 HZCBFVUZTVSUHF-SSEXGKCCSA-N 433.534 1.395 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCc3ccc(S(N)(=O)=O)cc32)CC1 1585893725 TZRRKVWPKQOBGL-UHFFFAOYSA-N 433.530 1.874 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1588120296 JPCFOERUWXAIBL-FQEVSTJZSA-N 433.516 1.726 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCOC)CC1 1588806110 GXZYNNVJPRTMLX-UHFFFAOYSA-N 445.593 1.420 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1589198659 ZIACBAGLGIBRHP-HSZRJFAPSA-N 431.500 1.486 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595577358 QHLCWIAGWQZQSS-MSOLQXFVSA-N 441.488 1.890 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1 1595861765 SHFDTKJQALAKMS-OAQYLSRUSA-N 425.466 1.791 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1611527037 BVIYQDGYURGGCQ-MOPGFXCFSA-N 441.532 1.721 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)c2ccccc2)n1 1612212308 GNBDATWLBWCPLD-QGZVFWFLSA-N 438.513 1.851 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](C)N(C)C)CCOC1 1616211996 ADTZYTFAFIGYGV-OYHNWAKOSA-N 441.536 1.415 30 10 IDEE CO[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1619055903 IBCOOIPVWCGWOZ-GHTZIAJQSA-N 445.545 1.494 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1619627563 NXGCLVKFWSLVDC-RYRKJORJSA-N 444.467 1.648 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1624818964 BLSFYSQYBWBQIK-JKSUJKDBSA-N 437.541 1.414 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)s1 1625200039 WBRJVTCDATWNSC-SFHVURJKSA-N 447.582 1.715 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 1625641136 NVURNWPGGWOKDZ-QGZVFWFLSA-N 426.477 1.629 30 10 IDEE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1629029222 JPKFGEBMOBWYIV-SNVBAGLBSA-N 447.293 1.929 30 10 IDEE COC(=O)CCN(CC#N)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1632393853 FICIRECBDJUTDI-SFHVURJKSA-N 432.521 1.927 30 10 IDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)[C@@H]1CCCO1 1633396699 CGNFJQPWRKHQLK-PMPSAXMXSA-N 426.560 1.584 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)nn1 1636330750 LEMRWAYXUYCCNA-INIZCTEOSA-N 448.524 1.596 30 10 IDEE N#Cc1c(CCCNC(=O)NCc2cnc3n2CCOC3)nn(-c2ccc(F)cc2)c1N 1638928503 MOPWLSPBYAMGJI-UHFFFAOYSA-N 438.467 1.624 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(CCOC)CCOC)CC1 1640281799 WXAIVNXFCTUXGN-LJQANCHMSA-N 425.570 1.879 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ncccn2)CC1 1640968713 FVULIEZTIVIPEU-GOSISDBHSA-N 432.569 1.964 30 10 IDEE C#CCN(C(=O)CN(C)C(=O)[C@@H](C)n1cccn1)C1CCN(C(=O)OC(C)(C)C)CC1 1644787820 GOQLSWDXQIZYML-QGZVFWFLSA-N 431.537 1.764 30 10 IDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 1646157316 MNXRSFJMERMELP-UHFFFAOYSA-N 448.541 1.235 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@](C)(CO)Cn1cnc2ccccc21 1648711033 AIWDEMNWNOOQPA-YCRPNKLZSA-N 441.513 1.142 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)c3cc(F)ccc3F)C2=O)cc1 1653742263 XACCURRKEJAAEG-ROUUACIJSA-N 428.395 1.891 30 10 IDEE COC(=O)c1cnc([C@@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)s1 1655187493 XFEHLPLJGMLRJH-SJORKVTESA-N 433.578 1.801 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC[C@@H](CO)[C@H]1CO)CCCC2 1655214180 DREKQSKDJMZQFC-CSODHUTKSA-N 430.549 1.421 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](CCNC(=O)OC(C)(C)C)C3)CC2)o1 1656337590 ABSIPJOOMPOZHO-QGZVFWFLSA-N 446.552 1.740 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCc3nccc(C(F)(F)F)n3)CC2)o1 1656421144 CNONUSCLDRMMHY-UHFFFAOYSA-N 437.426 1.487 30 10 IDEE Cc1cc(C[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(-c2ccccc2)n1 1680767161 ZILZOHOJYLVTQN-LDBYXDLTSA-N 427.530 1.692 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1689835417 MHRGXLQSIAMXPD-MSOLQXFVSA-N 445.589 1.775 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCS(=O)(=O)N(C)C)c1 1689868480 HZMAJCNGNJFZFR-INIZCTEOSA-N 446.577 1.739 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1689982595 QMELTFLOPPDGHX-GOSISDBHSA-N 449.964 1.751 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689991219 YNZAIQNGEQJQCE-QZTJIDSGSA-N 449.577 1.205 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1690175277 TZEPSSLPABGANR-IRXDYDNUSA-N 441.623 1.602 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690188716 NXUKTAKRZPHYKN-FYQPLNBISA-N 449.621 1.525 30 10 IDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCN(C)C1 1690265125 KRLBHDSQJCYEJE-QHCPKHFHSA-N 440.596 1.921 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1690432424 DGRQNNMDBRIFIK-HNNXBMFYSA-N 425.555 1.671 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1 1691206316 BZJNSLNYHNAQHL-UHFFFAOYSA-N 448.535 1.966 30 10 IDEE CC(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692302549 BODSMMKJSYBYDP-AWEZNQCLSA-N 447.565 1.859 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC=CO1 1692535302 BALXFRPSAIAKAB-GOSISDBHSA-N 436.520 1.702 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCOCC1 1694352757 FWCGQVOYTMPPSN-GOSISDBHSA-N 434.541 1.511 30 10 IDEE COCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1698185552 MGSIUEYXLOCQDP-QFIPXVFZSA-N 442.495 1.916 30 10 IDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCSC2)CC1 1698490709 GFFGEOXGPCGGEF-IBGZPJMESA-N 432.575 1.878 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC1CC1 1705498313 TWOIAWAZWPXELN-MRXNPFEDSA-N 426.546 1.799 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705570464 PKOFHLHEYNVKGB-RTBURBONSA-N 427.530 1.236 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1705584016 TYYXRHDTQPVDSI-UHFFFAOYSA-N 425.920 1.877 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC)CC1 1705640318 NCWCKRMFADDCOM-GOSISDBHSA-N 448.568 1.378 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705652872 QHBAVXJMSLJGJM-UHFFFAOYSA-N 446.621 1.964 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1706079477 LOUABSPBUBGJKU-HZPDHXFCSA-N 429.525 1.980 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1708036426 AEOQCBQYUMGQAZ-FQELHTAISA-N 429.546 1.991 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC 1712153534 XSKPNIOQGPPUGN-NQIIRXRSSA-N 445.545 1.493 30 10 IDEE COCCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1712609290 ASUFZINPVFFSSS-FXAWDEMLSA-N 439.582 1.753 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1 1722275524 CFNSYEJCULMYEY-HNNXBMFYSA-N 427.534 1.435 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1722326047 DTTXLTKRTJZYIQ-UHFFFAOYSA-N 445.955 1.292 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1722365864 PTJKLRGXIUGWRT-IAGOWNOFSA-N 425.624 1.467 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722371915 MYYAAWLYRRQSGH-LJQANCHMSA-N 430.578 1.728 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(C)cn1 1722392386 FCXHBQUZQYARGT-UHFFFAOYSA-N 426.488 1.589 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)NC(C)C 1722422814 RCKIGURFDCLWJS-UHFFFAOYSA-N 426.496 1.704 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)CN(C)C)CC1 1722440079 BBRBGIMLMRXCKN-UHFFFAOYSA-N 443.621 1.613 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1722453214 PNDVENVNPUKXNP-UHFFFAOYSA-N 441.561 1.644 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722465815 SYXCBPUJYKPLOP-INIZCTEOSA-N 443.529 1.873 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(OCC(N)=O)CC1 1722511192 XNXQFSXHEFZTQP-XMSQKQJNSA-N 440.548 1.716 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722699703 MQMQBYPZUGUJPJ-AOMKIAJQSA-N 429.496 1.694 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1722701022 CVKRUEFCKYWMLV-UHFFFAOYSA-N 440.552 1.438 30 10 IDEE C=CCNC(=O)Cn1c(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nnc1C(C)(C)C 1722704544 UTKMLADLHIREML-HNNXBMFYSA-N 429.521 1.949 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1722869919 RJPYOHFZGXRYSZ-GVDBMIGSSA-N 446.581 1.179 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1729588569 AJUPLKSDTDSPKD-SFHVURJKSA-N 435.488 1.538 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1)OC 1730464309 PBXFMEXCVPEEOK-REWPJTCUSA-N 440.548 1.779 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1740534463 ZCQDGPPFXNBTFJ-NWDGAFQWSA-N 445.471 1.398 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740593520 HSEJXZJIBXPMPX-UHFFFAOYSA-N 430.516 1.498 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740622836 JIJGZAMQGPVZDC-MRXNPFEDSA-N 431.518 1.195 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1740637654 ADIQQAIQOILHBU-QGZVFWFLSA-N 443.511 1.587 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNc1nccc(C(F)(F)F)n1 1740674221 YIDMHIFHEGXXFX-UHFFFAOYSA-N 436.442 1.781 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)CC1 1740691559 IPOHXWPBQZAKIR-UHFFFAOYSA-N 441.845 1.427 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCCCC2)CC1 1740700779 HSVBMYLLSHTBGB-UHFFFAOYSA-N 443.596 1.258 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1740793499 UCNKKKDHJIQNSI-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740966603 UQTZIZOVNOSSHU-JTJHWIPRSA-N 447.580 1.947 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1740975620 CPVRXROVVZWPKM-QZTJIDSGSA-N 446.577 1.711 30 10 IDEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1742627715 BJHCNCIYAMAARJ-QFBILLFUSA-N 435.529 1.608 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1748291802 AZBABICTZOHMIW-SFHVURJKSA-N 440.533 1.441 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748805022 MYUKWTLRTNKWPC-JKSUJKDBSA-N 442.607 1.243 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1748811068 AYIQUMZILDEBHC-OAHLLOKOSA-N 439.488 1.639 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1748922822 NDAIOTXJHRXAPW-UHFFFAOYSA-N 431.504 1.413 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749225962 MAJIYNBVUGSMOE-JKSUJKDBSA-N 445.524 1.906 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749454169 CZJJJSKTQQYWCC-CVEARBPZSA-N 433.509 1.839 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C 1749575664 VXDRTDBROZJYPY-SFHVURJKSA-N 449.581 1.188 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1749668875 FVZOTBGEOXMVFR-MJBXVCDLSA-N 431.509 1.210 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1749681097 WYMOZOSTUHEXKV-INIZCTEOSA-N 444.511 1.793 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749729441 JOPHRCQLMZBCPV-UHFFFAOYSA-N 442.545 1.620 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1750518723 GHBQHVSYMDLLHV-AUMHUTNHSA-N 441.561 1.578 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1751036712 CFYYQWLABQRRRV-AUSIDOKSSA-N 438.532 1.925 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1760111463 MZYFFBHIAYVQDQ-HNNXBMFYSA-N 433.516 1.659 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1760117754 SUUQNXIARQIBHJ-SJORKVTESA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760164121 KRQGKCQLNFDKMF-JKSUJKDBSA-N 435.525 1.908 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCCN1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 1760184924 ZYCQKGSEJISBRC-RBUKOAKNSA-N 437.610 1.265 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760185885 GJTZLYJORMXYCO-IAGOWNOFSA-N 442.607 1.243 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](CC(C)C)NC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1760186320 MBAFOIJUMOHHSO-IRXDYDNUSA-N 439.582 1.628 30 10 IDEE C#CCN(c1nnc(CC)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760188080 ZZNWPVUMSMKEOV-QGZVFWFLSA-N 432.546 1.945 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCN2CCCO)CC1 1760254872 NVPBHZCRIJFUQT-NRFANRHFSA-N 438.576 1.556 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760273757 AYCIETZSHRMESC-PMPSAXMXSA-N 428.628 1.174 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCN2CC)C1 1760542540 IISSUZWTVMTKFC-CEXWTWQISA-N 437.610 1.836 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCCc2ccccc2)C1 1760545285 RGYBENBTSDBVET-IBGZPJMESA-N 433.516 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760552597 UNHHHMAUWLMLFI-OXJNMPFZSA-N 433.534 1.325 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCOC)CCN2C1=O 1765297542 UJIUIWTVIDPPIA-GOSISDBHSA-N 437.504 1.716 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CCCC2)nnc1N1CCC(CO)CC1 1770833714 YWCUTWLSVAFJMP-MRCUWXFGSA-N 428.537 1.746 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)[C@@H]4CCCO4)C3)CC2)cc1 1855640095 KQGMEHDZLYOPDL-HKUYNNGSSA-N 431.514 1.513 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN(CCO)CCCC 1870570771 KKHTZBWYVQWINW-UHFFFAOYSA-N 435.550 1.806 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CN(CCO)CCO 1870649359 BNWVKPPCQRSNME-UHFFFAOYSA-N 435.908 1.492 30 10 IDEE N#Cc1ccc(COc2nonc2CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 1872650190 HKWYBFANOZUVDR-UHFFFAOYSA-N 427.442 1.027 30 10 IDEE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCN1CCc2ccccc2C1 1889426387 YAJHBGGXVBAPES-IBGZPJMESA-N 434.565 1.947 30 10 IDEE CN[C@@H](C#N)CCn1c(C)nc(I)c1I 1928096753 BQJGQFLKVSXXFH-SSDOTTSWSA-N 430.031 1.902 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 1984938038 DCUZYPXYNQABPF-FAGJFJLWSA-N 425.526 1.828 30 10 IDEE C#CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO)C(=O)OC(C)(C)C 1985010654 FEPZFXFUZUGSLZ-CVEARBPZSA-N 425.526 1.591 30 10 IDEE Cn1ncc(Br)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2054378427 FTOUAJAGOOCAAA-JTQLQIEISA-N 434.316 1.316 30 10 IDEE C=CCn1ncc(NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2105998214 MZXJXSPKNLMYCX-UHFFFAOYSA-N 429.315 1.976 30 10 IDEE C#CCNC(=O)CNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2237401012 RXOSDFJMISZMMC-OAHLLOKOSA-N 438.322 1.751 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255713204 XUWJIHQUJPGQQI-UKRRQHHQSA-N 436.314 1.943 30 10 IDEE CCn1cc(C(=O)N(OCc2ccccc2)C2CNC2)nc1B1OC(C)(C)C(C)(C)O1 2255807239 QQDPOWZHKJXIDL-UHFFFAOYSA-N 426.326 1.748 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864396 VPOOWEWLZWJOFJ-AAEUAGOBSA-N 429.248 1.843 30 10 IDEE C=C(CS(=O)(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1)B1OC(C)(C)C(C)(C)O1 2255952392 SINRVESJTLRETD-HXUWFJFHSA-N 449.426 1.910 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267187551 ZQBUNPYBWROHAM-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C 2267264191 OLQXOYFJMKXCSK-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267549395 LWKCTLCGLXALRD-OKILXGFUSA-N 447.345 1.338 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268710976 JZQUCPRWHGAWPO-AWEZNQCLSA-N 448.329 1.478 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@](C)(CO)C(F)F)cc2Cl)OC1(C)C 2282842074 SCQNYMNYMDFXIP-AWEZNQCLSA-N 431.719 1.995 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2299262611 IWRWZKVZGMYSKR-NEPJUHHUSA-N 438.359 1.749 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2334270220 PCKMLZYBKOPBEF-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371197959 WPZNLJDGDZLNJB-GHTZIAJQSA-N 436.530 1.918 30 10 IDEE NC(=O)c1ccccc1OCC#CCNS(=O)(=O)c1ccc(Br)s1 90744007 INFMLGMAYPSHSA-UHFFFAOYSA-N 429.317 1.970 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 102746717 PMHMPCSBFRDXHR-LAFOYAEKSA-N 425.489 1.566 30 10 IDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CO)(C(=O)O)N[C@H]2c1ccc(/C=C/c2ccccc2)cc1 248251661 SMMCROKGJCPVQJ-FGOXXRCQSA-N 444.487 1.942 30 10 IDEE CCOc1cc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1O 254304159 UXPBJZZVPHMYOC-UHFFFAOYSA-N 429.481 1.095 30 10 IDEE Cn1c(=O)c2c([nH]/c(=N\N=Cc3ccncc3)n2Cc2cccc3ccccc23)n(C)c1=O 254760000 ORHBFYNCPLGKNA-UHFFFAOYSA-N 439.479 1.898 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 446199544 BPXYEMHAGVROPX-UHFFFAOYSA-N 448.483 1.928 30 10 IDEE C=C(C)Cn1c(COCC)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 460555416 QILICWUOYIXVTG-UHFFFAOYSA-N 434.566 1.625 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 461372537 CJPUKMPDJKYSFO-GOSISDBHSA-N 439.537 1.017 30 10 IDEE COc1cccc(N2CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 481540278 JRRTWSPSPYBNIX-AEFFLSMTSA-N 442.541 1.876 30 10 IDEE COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(F)c1 481776924 IUDBVNWUNYNLFE-RHSMWYFYSA-N 447.488 1.512 30 10 IDEE Cn1cc(-c2nc([C@H]3COCCN3CCS(=O)(=O)c3cccc(C#N)c3)no2)cn1 506312869 BGMMSRSTDJPPQN-QGZVFWFLSA-N 428.474 1.189 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506641538 GFYRXJLUFMVJRM-PMACEKPBSA-N 428.581 1.431 30 10 IDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508845588 CGERBJOCRHWKTL-LBPRGKRZSA-N 446.313 1.754 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 523477923 MXNKZYLDBPHZRO-UHFFFAOYSA-N 440.521 1.590 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)c1 535141997 KDEPFGCBPCAEQF-YOFSQIOKSA-N 432.590 1.534 30 10 IDEE C[C@@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCCC1 544330254 HPQPIQZQYQOYFQ-SFHVURJKSA-N 433.578 1.839 30 10 IDEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 549291697 IDKUHCOSUZXDEN-QGZVFWFLSA-N 436.520 1.986 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 558990085 KERXJOSVYLRSCB-HOTGVXAUSA-N 429.612 1.765 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 565980737 FOMCHOXOWFQASF-UHFFFAOYSA-N 432.477 1.333 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1 604183631 NKNPUZMFPWYHRO-LJQANCHMSA-N 429.565 1.037 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(Cl)cc1 727416024 CUADBOYMGXLWNV-UHFFFAOYSA-N 443.912 1.801 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)/C=C\c1ccccc1Br 731851184 LAGVJFXUOJVLGJ-LNPFXYPVSA-N 426.292 1.866 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCCSC)c2=O)cn1 735067868 AUUXUHHHGKPOPN-UHFFFAOYSA-N 445.614 1.395 30 10 IDEE C[C@@H](CC(=O)NCc1cn(C)nc1C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 748146362 ASXYYNKRUUTSDV-JTQLQIEISA-N 429.424 1.572 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(F)F)C1=O 751923808 BMZKDWSGONTGQU-CQSZACIVSA-N 428.461 1.680 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)Cc2ccccc2CC#N)CC3)CC1 754529089 QJXJNEZGNQJJQR-GOSISDBHSA-N 434.544 1.258 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NC2CCCCC2)C1=O 771581986 IDERLFZMAJJMCC-QMHKHESXSA-N 440.500 1.928 30 10 IDEE CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1cccc(-c2ccc(C#N)s2)c1 774886364 HGTHLUVXIFZACS-UHFFFAOYSA-N 427.573 1.988 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781647869 ARLFCAJGEDKTKO-UHFFFAOYSA-N 440.569 1.902 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCCc3cc(C#N)cnc32)CC1 788427459 BVVCFDJXDKAWAX-UHFFFAOYSA-N 425.518 1.437 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)n1 789043027 YYDIEHRVLMJCAD-NRFANRHFSA-N 438.576 1.885 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CC(N3CCCCC3)C2)C1=O 794442214 SWDYKAGFZBVFHO-DAWZGUTISA-N 443.573 1.870 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)C1=O 798545988 LPCYFVFMGKEHKT-ZHRRBRCNSA-N 428.489 1.016 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OC 805085517 KMDHFJQFKFZOJG-SNVBAGLBSA-N 431.410 1.003 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)ccc1F 816806195 VLJJLBGWPOLSNB-OAHLLOKOSA-N 432.539 1.719 30 10 IDEE COc1ccccc1NC(=O)COc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1OC 820185900 RLBZUMHXAZBUTQ-HNNXBMFYSA-N 429.429 1.441 30 10 IDEE C[C@H](C(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1)n1cnc(C#N)n1 1133558281 MIIYWUODKWXJKT-NJAFHUGGSA-N 443.552 1.785 30 10 IDEE COCCNC(=O)Cn1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1137089135 GKFFIRIZWONVJE-UHFFFAOYSA-N 433.509 1.235 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc3ccc(Br)cn23)c1 1141012846 AQVUZIIBXMYPND-UHFFFAOYSA-N 434.275 1.656 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC(N2CCOCC2)C1 1144325226 VEFISQQVEAVIMV-FQEVSTJZSA-N 426.517 1.936 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)c2cncc(Br)c2)c1 1151404872 JFGNPCCDCFFDFM-UHFFFAOYSA-N 436.287 1.368 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1C 1286284710 GNBJLLPIRASOAJ-AWEZNQCLSA-N 426.550 1.786 30 10 IDEE C#CCSCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1286513203 RKZVIKMIHUGQFD-WIYYLYMNSA-N 446.577 1.399 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286560815 JCIJPYBFTWSZHO-LNLFQRSKSA-N 446.577 1.791 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(N)=O)CC1 1286565028 ODHDOZYCDFWPHP-UWJYYQICSA-N 430.553 1.474 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286614914 DRVHOJZTLFYFCQ-IHPCNDPISA-N 430.553 1.771 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)c2ccccc2)CC1 1286644540 BKUVQPTZGORZPW-QGZVFWFLSA-N 430.534 1.364 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286708933 JEPBNRMLEAFEQS-MRXNPFEDSA-N 434.518 1.890 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)NCC)CC1 1286783008 KJJHVWLTLTXEMN-UHFFFAOYSA-N 431.928 1.752 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cncn2)C1 1286818927 SZRWUSIFHWUPDA-KRWDZBQOSA-N 428.522 1.374 30 10 IDEE Cc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290781209 PDQDCDVLHKDKNJ-MRCUWXFGSA-N 441.536 1.342 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)cc1 1293842453 JYDYMVKNVPHEAT-OALUTQOASA-N 425.510 1.878 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)cn1 1297869419 SMEALVJTHUIRHW-FQEVSTJZSA-N 436.516 1.868 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(-n2cncn2)nc1 1300471779 OGSNVSAUMLLDFW-UHFFFAOYSA-N 433.501 1.363 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300479366 MPTBVOXQFHJRPU-KRWDZBQOSA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300502961 ZJPCKBSVJLAUNC-SFHVURJKSA-N 427.530 1.005 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1300578554 MGVQMCDWNDXGRD-OALUTQOASA-N 434.562 1.229 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(CC(F)(F)F)CC2)CC1 1300700549 SHTWJMCXUDYTQZ-SFHVURJKSA-N 440.514 1.812 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1300973344 YNHLSQJMWRAGQR-LJQANCHMSA-N 434.585 1.558 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301001161 DCXFDFKYYPRIAS-OAQYLSRUSA-N 436.557 1.373 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1301151979 TULBOGSHCLZNDC-SJORKVTESA-N 441.598 1.686 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1301392618 JNJWBUWYFSQPNN-UHFFFAOYSA-N 442.266 1.802 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCS(=O)(=O)C1 1302685377 BSBLKGZLZJTXCW-CVEARBPZSA-N 444.565 1.213 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@](CO)(NC(=O)OC(C)(C)C)C3)CC2)o1 1304250646 UFSIHTHMFSIRRS-QFIPXVFZSA-N 447.536 1.949 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN(C)Cc3ccccc3)CC2)c1C#N 1304730489 FQMBLEJRPSHJFG-UHFFFAOYSA-N 433.564 1.959 30 10 IDEE COc1ccccc1-c1nnc(N2CCOC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1315608366 GYRAHETWFJROMA-DSGGYQJVSA-N 438.488 1.705 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1316277722 ZGHJQWIEUZDZHI-YYVVQBKYSA-N 444.536 1.765 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)[C@H]1c1nccn1C 1358035803 OUKXJXYLTQTSAG-PVAVHDDUSA-N 446.305 1.852 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1358955757 SSCBMAONECPUIC-GBESFXJTSA-N 447.605 1.967 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1358959666 NLATVEFPZGLCAL-KRWDZBQOSA-N 442.520 1.998 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@H]1OC 1359023383 IWEZDSQYJMFNLP-MAUKXSAKSA-N 431.493 1.143 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359055497 FXWSPTHROOBDKV-MRXNPFEDSA-N 444.521 1.542 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359125970 ARCTYWPXMIONFL-INIZCTEOSA-N 427.509 1.575 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1359126713 WUYOOGHODABMAU-UHFFFAOYSA-N 449.519 1.635 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1359304505 ZLEVEWDSXKMEOX-QHCPKHFHSA-N 440.548 1.739 30 10 IDEE CSC[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1452948412 UEJGHZYZTNELFJ-MKXGPGLRSA-N 429.542 1.957 30 10 IDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1465277078 QGBPKOVJHBSZQS-KRWDZBQOSA-N 427.567 1.393 30 10 IDEE CCc1c(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1469535155 NZDBFGVXIIAVFW-KRWDZBQOSA-N 446.511 1.417 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccc(F)cc1)c1ncc[nH]1 1470161392 GWFWTXHWQDOUSB-FZKQIMNGSA-N 427.461 1.993 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1470936776 USAXGFGKDNMQBT-JOCHJYFZSA-N 433.560 1.601 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccco2)n1 1492746024 FNCJMKPWKOKWFM-HXUWFJFHSA-N 426.456 1.605 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503560857 DKHLYEZXRWWSNT-MXLIYFDZSA-N 430.509 1.171 30 10 IDEE CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)CCN2C1=O 1503676827 BLEZJURBURLLPQ-QGZVFWFLSA-N 439.520 1.446 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1507633466 DYQNSKSYGFAEOC-QGZVFWFLSA-N 436.497 1.404 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507636104 YWGJYCXLGYUQEV-FXAWDEMLSA-N 434.587 1.718 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1507642728 MKBNAEKCPZYJMG-QGZVFWFLSA-N 441.561 1.005 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1507669674 PIHVDQWSOMJMDA-HXUWFJFHSA-N 448.552 1.877 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)N2CCOCC2)CC1 1507717719 GNQZFUVKBJJLKS-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1507720716 FMJJGWRCACFLME-OALUTQOASA-N 434.610 1.361 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1508005957 CTMIVCYWBLSFRH-KSSFIOAISA-N 441.579 1.294 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508086327 NDHJONMNMXAQNJ-CTNGQTDRSA-N 438.576 1.636 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508146742 BOPDPMZKUMYJKH-OAHLLOKOSA-N 429.550 1.902 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508158007 CWJOQDVCAIDQPJ-INIZCTEOSA-N 429.612 1.957 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCN(C)C(C)C)CCOC1 1509819035 PTOTWUDPALJFAJ-OFNKIYASSA-N 445.612 1.835 30 10 IDEE CN(CCN1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1517329404 VRADFHZRLDLMDM-UHFFFAOYSA-N 436.476 1.207 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC(C)C 1539012869 MLVNLBPGAAWJIL-CQSZACIVSA-N 425.505 1.933 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539407420 BAHONYHVAVSLPP-UHFFFAOYSA-N 427.530 1.952 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)c2cccc(O)c2)CC1 1539463102 SVWMQAMTMRFMKT-HXUWFJFHSA-N 438.532 1.411 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539744062 CNJBUDNRBDFGRH-MOPGFXCFSA-N 442.568 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1540904159 KWMPOOMQMAEJHO-OAHLLOKOSA-N 438.554 1.737 30 10 IDEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1 1541006986 UEGUFQKMNWAGBD-FQEVSTJZSA-N 429.569 1.466 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1541115842 FYUOZTNVSPITIZ-GDBMZVCRSA-N 431.518 1.596 30 10 IDEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cnn1CC(C)C 1542110706 OEHVLLBOEIAWOF-NVXWUHKLSA-N 433.582 1.985 30 10 IDEE CCCCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1546981144 DAEIGVMMFGUBKM-IBGZPJMESA-N 440.552 1.986 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)c(C)s2)CCO1 1554443514 GELPPPCATBUOME-QGZVFWFLSA-N 437.529 1.890 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCOCC1 1555117145 AMELXVPMZGKEAF-INIZCTEOSA-N 445.545 1.849 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555793912 CWUFYCGAKUZLML-DXQAYGFFSA-N 448.549 1.085 30 10 IDEE C#CC1(O)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Br)cc2)C1 1558691873 ZURPISMIYYXMGH-CQSZACIVSA-N 447.376 1.056 30 10 IDEE C#CCN(CC#C)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1561284159 TULAPLNQSALUNV-UHFFFAOYSA-N 431.251 1.643 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(C3CCN(CC)CC3)CC2)c1 1561692755 FYCZARGSGJPOEN-UHFFFAOYSA-N 434.606 1.783 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H](N4CCOCC4)CC3)C2=O)cc1 1564547148 HQSAATCSLXVGNJ-FPOVZHCZSA-N 425.533 1.950 30 10 IDEE CN1CCC(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)(N2CCOCC2)CC1 1564923818 WYDFBLKEPIFKMW-OAQYLSRUSA-N 427.549 1.438 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)c1 1565617791 YRVBRZHNUBJOHJ-UHFFFAOYSA-N 433.574 1.500 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1 1570495135 KIQAUOALTLCKEM-DLBZAZTESA-N 433.530 1.822 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1584883433 VMLLCPQGGWCOGU-QHCPKHFHSA-N 426.517 1.783 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1587621388 SZXYKYUQNCBNFZ-MWTRTKDXSA-N 436.516 1.674 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@]2(C)COCCO2)c1 1587689309 FSQJNAGAJHBHBF-QHCPKHFHSA-N 447.499 1.597 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1587909553 NHKZVUPGNSYZLO-OAHLLOKOSA-N 429.546 1.996 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(OC)CCOC1 1588006947 VFAMIVATZXEIPA-XMMPIXPASA-N 438.576 1.518 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595812376 RCJFDQXDBGINNU-IBGZPJMESA-N 445.589 1.996 30 10 IDEE C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598482553 DCLJEWNRCAUFGY-LKEDHPFLSA-N 438.315 1.891 30 10 IDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1619171309 DPLSSYFUCQVPIN-PWRODBHTSA-N 448.608 1.691 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1619995617 PECCSFKIUGOLLR-IGGDJGDASA-N 444.536 1.909 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1620175691 WHGZOYIBDPQFPO-UHFFFAOYSA-N 443.577 1.288 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN(C)Cc3nnc4c(=O)[nH]ccn34)c2C#N)C1 1620547145 GKOJDZNMXXFXIL-LBPRGKRZSA-N 425.518 1.936 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1624811201 KBADFMNOQZYWQX-RBUKOAKNSA-N 443.548 1.944 30 10 IDEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 1624906134 BATLCCJWPDOFOT-SJKOYZFVSA-N 433.461 1.686 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)C(=O)OC 1634063932 STARXNAXADRDBZ-MRXNPFEDSA-N 432.477 1.833 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1639270352 VIJJXBKWKLUZBI-KRWDZBQOSA-N 431.518 1.162 30 10 IDEE CCN(C(C)=O)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1640324692 OVEVTZRJCNNZKE-UHFFFAOYSA-N 429.502 1.912 30 10 IDEE N#Cc1cnn(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1N 1647920483 LZSNADVSFVEDFY-GOSISDBHSA-N 425.445 1.932 30 10 IDEE C#CCCN(CCOC)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1672601374 MCTLBVRNBYVNLR-UHFFFAOYSA-N 425.507 1.220 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 1675826906 WTFLFWFJFIOFHK-UHFFFAOYSA-N 430.310 1.933 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 1678356370 SOTJITBPORPWEV-UHFFFAOYSA-N 444.311 1.998 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cn(C(F)F)c3ccccc23)CC1 1684443321 SDJAQMVBPAQJFD-UHFFFAOYSA-N 425.461 1.331 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1689897717 GDWUCCLJFGBPCY-SFHVURJKSA-N 433.520 1.599 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)COCCO1 1689971997 DRWOTPROQNUJCH-DEOSSOPVSA-N 438.576 1.518 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1689977793 CWALCLAHZKGGRJ-WBVHZDCISA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1689978102 MNNMTCZKFCCPAT-OAHLLOKOSA-N 435.575 1.461 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689986047 HOWJVBUHQLUPQO-ROUUACIJSA-N 430.530 1.296 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689986286 MROPWLYRSMPODU-GOSISDBHSA-N 427.530 1.098 30 10 IDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689996402 IFPZSCWOXBBMEK-SFHVURJKSA-N 446.573 1.872 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690170739 PACAWHGKVVCKMT-HXUWFJFHSA-N 432.638 1.753 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1690622487 QLVCIHCVYBMBNP-IRXDYDNUSA-N 434.566 1.593 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1690676054 OLMFQZFCXOOIOY-UHFFFAOYSA-N 438.532 1.587 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690742021 DLYPWCWGTLUKPY-KRWDZBQOSA-N 438.561 1.742 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690993523 MBKIAQHXLHGXJF-DOTOQJQBSA-N 441.511 1.593 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1692741206 FCYWVHREZXDMBW-APWZRJJASA-N 447.561 1.882 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCOC1 1696646507 AUYBHPULTDMUGW-QGZVFWFLSA-N 440.504 1.236 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1697557669 DEMJFJKGKOODKG-LJQANCHMSA-N 436.513 1.723 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCS(=O)(=O)CC2CC2)cc1 1698487182 COOYTDIVUYDYSI-UHFFFAOYSA-N 429.546 1.850 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2nccn2C(F)F)cc1 1698488412 HERBZJMBFUJFQQ-UHFFFAOYSA-N 442.430 1.695 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1698494586 XENKBFVRDIAALQ-DZGCQCFKSA-N 441.458 1.027 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@@H](C)C1 1705490984 VEEDPUIMJCFMIP-IRXDYDNUSA-N 428.537 1.965 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1705563837 GPSIWNRDXASKJD-KRWDZBQOSA-N 432.546 1.743 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705569094 ZENKAYNTOPMEKV-WIYYLYMNSA-N 432.546 1.349 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1705612170 BCPGBNZJSBEPQL-KRWDZBQOSA-N 443.577 1.346 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccnc1N1CCOCC1 1705626136 JUTGEDMSMOINCV-UHFFFAOYSA-N 435.532 1.650 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705728556 OGUPGTGCVDMUSY-FXAWDEMLSA-N 439.582 1.511 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705754629 CDUYXYZUQJAXEA-MRXNPFEDSA-N 437.953 1.929 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1705824967 FRZWVZWZMBSBHB-LJQANCHMSA-N 432.569 1.265 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2CCCO2)CC1 1705895153 VXSMWDLXDDNBGX-GOSISDBHSA-N 432.569 1.894 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705904469 QABWLLBWPXNYHS-ZWKOTPCHSA-N 427.505 1.954 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705908164 KBLSOFLFUMCJHF-MRXNPFEDSA-N 428.562 1.848 30 10 IDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)cc1 1705910553 FWVURASHDNZODH-GOSISDBHSA-N 426.521 1.984 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1706011675 FGAXLMGSPSZOJC-AWEZNQCLSA-N 445.549 1.635 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1706092266 FMNWAJYFYJODIY-HSZRJFAPSA-N 435.532 1.695 30 10 IDEE C[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)COCCO1 1706958960 JIUCOQISEFYPBJ-OAQYLSRUSA-N 425.493 1.861 30 10 IDEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1=O 1709792524 CHEONRRANSXKQH-HSZRJFAPSA-N 435.532 1.744 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1710874197 ATNATACKUPUZPD-SFHVURJKSA-N 430.534 1.356 30 10 IDEE CN(CC(C)(C)C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1711058797 VJUKRPWGEVWRHU-VHEBQXMUSA-N 429.525 1.409 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(CC)c1 1722293458 NCVZQBRROIMTIK-OAHLLOKOSA-N 426.550 1.961 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1722404231 VQZBJNBNDOWYPJ-SFHVURJKSA-N 426.901 1.747 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCn1c(O)nc2ccccc21 1722427330 NJPFVJNUQGLZFC-UHFFFAOYSA-N 437.504 1.242 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ncccc2Cl)CC1 1722437495 DPJBFCWEIGNHRO-UHFFFAOYSA-N 426.912 1.561 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)F)CC1 1722442108 SSQFCZDVXKUBBZ-UHFFFAOYSA-N 436.438 1.133 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722549832 AOCQBXFLSSQMIN-CQSZACIVSA-N 430.962 1.280 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722558889 BXSWNUBRBIZGEL-UBDQQSCGSA-N 425.961 1.912 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722850124 CJCKCVKXOFSEAB-FQEVSTJZSA-N 437.548 1.501 30 10 IDEE CC(C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723188112 ZIMDSPQKZYRKBF-XUTLUUPISA-N 443.552 1.229 30 10 IDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1724035774 SJCBILRRQYANEZ-XUTLUUPISA-N 447.499 1.958 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)n1 1726138246 KLFIAKXLZPGXSH-OALUTQOASA-N 429.525 1.312 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1740550484 IRTAVZQWXIKCLA-SJLPKXTDSA-N 436.564 1.825 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740565170 LFRNYPWQBABHJO-QGZVFWFLSA-N 429.569 1.009 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1CCNS(C)(=O)=O 1740604276 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10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1748859291 FMHDQXSREYQFPK-HXUWFJFHSA-N 442.541 1.906 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1748892196 KZQIGNDGNXQHRN-OAQYLSRUSA-N 439.585 1.753 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(CC)CC1 1748900319 DMRHRWBEOOHCME-QFIPXVFZSA-N 436.608 1.629 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NC(C)C 1748948884 ZXJPBIIZFMLLIA-UHFFFAOYSA-N 426.521 1.758 30 10 IDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749042927 BICYBTMWSAPOGJ-IBGZPJMESA-N 443.573 1.390 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1749268606 DEMYEZPXAZIMTE-GJZGRUSLSA-N 433.962 1.225 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749298867 VRJRAQTUSDJZDH-UHFFFAOYSA-N 443.533 1.913 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC1)C(C)C 1749556901 BVNAHYGSRXJUEB-RBUKOAKNSA-N 437.610 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1749731332 BMFUFWGVKHMZNH-ZWKOTPCHSA-N 445.545 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749736912 SJPSDTHAYGZNRY-SFHVURJKSA-N 441.561 1.592 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749752541 TVXYMKMBLWUUAV-HNNXBMFYSA-N 428.522 1.127 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749755231 XHAORPXGJHUESE-OAHLLOKOSA-N 434.566 1.960 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](F)COC 1749967178 PSOYRJOLSSFXTE-CJNGLKHVSA-N 434.472 1.522 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCS1(=O)=O 1760110504 PRLJHDCXJZJNTI-MRXNPFEDSA-N 426.546 1.930 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760187832 YDKULMSWHOWTAT-HNNXBMFYSA-N 449.543 1.988 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760188330 JSVCZRHGKFQERH-LJQANCHMSA-N 429.546 1.784 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C 1760224485 MCJYKMGYXSTAIC-QVKFZJNVSA-N 431.924 1.861 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2(F)CCC2)CC1 1760271085 LCFMFVVFEFDZRP-UHFFFAOYSA-N 430.528 1.649 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(C(=O)NCC)CCC2)CC1 1760272932 FKGPTBUSXBGSMZ-GOSISDBHSA-N 442.564 1.402 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1760281672 PQSCNDXASBJORD-QZTJIDSGSA-N 438.619 1.800 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CCN(C)C2)C1 1760549372 CXKOMQRIUHKOJY-URXFXBBRSA-N 441.576 1.920 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1761362537 CWWQFRAKFVTNFM-QLFBSQMISA-N 428.584 1.245 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1761544519 GACBQJJZEJNDQA-AINLKENTSA-N 446.515 1.920 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCSC1 1767063553 FYBJAILENVBNHW-NRFANRHFSA-N 426.546 1.777 30 10 IDEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc(OC)c1OC 1768303779 AFVFNHOJQKKELJ-LHSJRXKWSA-N 444.467 1.745 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1769503922 VTDQBOCJMCQJMY-DBZGDUTOSA-N 444.536 1.702 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCCCCO)cc1 1770732702 IFOWBQWZCXGHHL-OAQYLSRUSA-N 429.546 1.994 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCOC3)n1CCOCC(F)F)C2 1770735894 RKARISNMFAZUPE-CYBMUJFWSA-N 434.447 1.989 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1ccc(C#N)o1 1771278329 ALABABVJYCDSQH-ZQIUZPCESA-N 437.522 1.384 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)C1 1771527731 DLJFIKAOONWHFG-IBGZPJMESA-N 429.412 1.154 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2ccccc21 1851504084 PZKGUDRQGGNVQH-FQEVSTJZSA-N 426.517 1.924 30 10 IDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(Cc4cc(F)cc(F)c4)C3)CO2)nc1 1852465570 NBAJCQZRDVKGCP-QAPCUYQASA-N 428.395 1.944 30 10 IDEE COc1ccc(N(C(=O)c2nccnc2N2CCOCC2)C(=S)N=CN(C)C)cc1 1853111214 CKWZYUQMPSSEKA-UHFFFAOYSA-N 428.518 1.843 30 10 IDEE COc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOCCCN(C)C)cc1 1853517682 VDIXHFOYTLMBFH-UHFFFAOYSA-N 446.529 1.798 30 10 IDEE CCOc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870145133 SKOWEYCCNXUHNF-UHFFFAOYSA-N 446.423 1.781 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2cccc(O)c2)[nH]1 1871714966 FJWAYRYWILIHAN-UHFFFAOYSA-N 441.517 1.450 30 10 IDEE N#Cc1cccc(C(=O)N2CC[C@@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)c1 2066583370 JDHXDZBYQZEBRK-GOSISDBHSA-N 426.498 1.027 30 10 IDEE O=C(O)CCNS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-n3cncn3)cc2)cc1 2069666782 MTDQEOQCBBLURK-UHFFFAOYSA-N 426.454 1.916 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C 2255648384 LLTCBNAOCAHPJV-CQSZACIVSA-N 434.346 1.849 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2255653864 OYUXJOMQQUIZDS-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830333 DPZDBTVLDTUFHD-YEJXKQKISA-N 432.330 1.696 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255840977 VDVDMXOWWIIKCN-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)o2)OC1(C)C 2255848449 BLMORUXOWDLHIC-RYUDHWBXSA-N 428.216 1.957 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255926521 FXDVUOHAAFHNMI-AWEZNQCLSA-N 436.314 1.307 30 10 IDEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O)ncc1B1OC(C)(C)C(C)(C)O1 2256616564 CDEVVRSHFPIATL-JSGCOSHPSA-N 436.318 1.297 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267127921 MJPPLOYGKGSBOX-RTBURBONSA-N 436.365 1.923 30 10 IDEE Cn1nc(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267134633 SCYMWALMMNUKSV-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2267150979 GQYFNRFBJUMUBT-HUUCEWRRSA-N 447.341 1.399 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267159157 HKVAZRXFVMTZBD-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267177566 PDYYXTKCYWQTBG-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 2267269147 CPVDRCLDGZHDBB-KBPBESRZSA-N 447.345 1.053 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267519173 GLKPVLGLVJCRNY-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267594270 QKWINAVBPIHKDV-HZPDHXFCSA-N 447.341 1.481 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646092 XITBKPALMIVKKE-YJBOKZPZSA-N 448.369 1.919 30 10 IDEE C=CC[C@@]1(CO)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287710754 WSOHZWXKMRVIPV-LEWJYISDSA-N 438.521 1.991 30 10 IDEE Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 16775747 YYXYOPGEMOASMC-UHFFFAOYSA-N 440.525 1.438 30 10 IDEE C=CCN1C(=O)N[C@H](c2cc(OC)ccc2OC)C2=C1CN(CCN1CCOCC1)C2=O 35166891 PMTJPVDBNUPTQJ-OAQYLSRUSA-N 442.516 1.385 30 10 IDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 111047887 VHOBSUREAXFRET-ZIAGYGMSSA-N 438.571 1.720 30 10 IDEE C#CCN1C(=O)[C@@H]2[C@H](c3ccc(Oc4ccccc4)cc3)N[C@](CC(=O)O)(C(=O)O)[C@@H]2C1=O 247967800 CGMHQIKTWFEKDO-XHOYROJHSA-N 448.431 1.656 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCC23CCOCC3)CC1 410083858 BNQFZNRJNCKRLZ-LJQANCHMSA-N 432.546 1.923 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 427177728 IOFIUDFWHJWUTF-IEBWSBKVSA-N 434.562 1.328 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 441853844 IFNLSGRFXPMTPG-NSHDSACASA-N 429.424 1.636 30 10 IDEE Cc1sc2ncn(CCC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c(=O)c2c1C 465195805 RUBPFPOEZHNTLQ-ZDUSSCGKSA-N 437.529 1.864 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466106354 HYSOOTZJPBZXHZ-UHFFFAOYSA-N 433.490 1.258 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 482722428 JEPOCYWDFKPJFX-UHFFFAOYSA-N 445.545 1.228 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CC1 486251531 CYYIWBKLLNFJPL-UHFFFAOYSA-N 448.999 1.091 30 10 IDEE Cc1ncc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1C#N 489075626 OGEIRKUPIJNYGA-ZDUSSCGKSA-N 427.486 1.646 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 502677443 GGYFEJXDNOAWSX-LXPRWKDFSA-N 435.550 1.757 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 507729663 ATGDTMHLAQTFBQ-HZPDHXFCSA-N 447.605 1.594 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC2CC2)C1 508829308 YRUCHSKBJDGVII-IAGOWNOFSA-N 425.555 1.192 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1C 512742309 LILFOMSKOFAIEV-UHFFFAOYSA-N 435.553 1.843 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 533692618 MNSGAEYIBGLMIZ-INIZCTEOSA-N 433.480 1.396 30 10 IDEE CC(C)N1C(=O)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1(C)C 539452666 IRESDHSSAADEPP-HXUWFJFHSA-N 429.540 1.866 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CCSC 542730020 YBPVVGFGOMPKAR-UHFFFAOYSA-N 446.554 1.519 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@]4(CCOC4)C3)n2C[C@H]2CCOC2)cc1 549594760 QYYFZABKGNIIQL-GCJKJVERSA-N 425.489 1.761 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3C[C@H]3CCCO3)CC2)c1C#N 555396064 YXRYUIWAIPVJGB-QGZVFWFLSA-N 435.536 1.703 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)C2)nc1 562866397 NZOFHBMRHPTUOL-HTAPYJJXSA-N 445.479 1.409 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COc2ccccc2)C1 579096361 LKWGWDDLMUNSBV-AEFFLSMTSA-N 435.550 1.749 30 10 IDEE Cn1c(=O)nc(O)c2c(C(=O)N3CCN(c4ncccc4C#N)CC3)cc(C3CC3)nc21 603511343 QCVPONFCJLSTOF-UHFFFAOYSA-N 431.456 1.141 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 605414047 WOFHULJWWXZVMO-UHFFFAOYSA-N 431.606 1.730 30 10 IDEE CSC[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 619104135 OLCPDVNADDWBGD-KSZLIROESA-N 441.557 1.509 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1-c1ccc(F)cc1 619695514 ZKUMJSYDFOJVJX-UHFFFAOYSA-N 427.432 1.435 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 680518353 ZLWZIYPZHRKYHZ-UHFFFAOYSA-N 439.482 1.763 30 10 IDEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 732898970 MDIPPYWVSXRAJX-IBGZPJMESA-N 445.566 1.985 30 10 IDEE COc1cc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc(Br)c1OC 742248608 FBMZMVGMTTWPBX-FBMGVBCBSA-N 438.278 1.999 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 742295654 LOHVZONEZZTHNF-WOJBJXKFSA-N 432.546 1.790 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(COCc2ccccc2)cc1 743917566 IFLFPTIDQXYPOP-DQRAZIAOSA-N 448.479 1.985 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O 746303994 BFYJRUVWOBREKR-MJWGMMHASA-N 448.426 1.816 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c1=O 758059788 OVLWZPQRUKJXPO-HXUWFJFHSA-N 448.544 1.973 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 762192207 QUDDTNQYQDPFTF-UHFFFAOYSA-N 427.482 1.024 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1=O 771414251 YXUUXZAMABBWGQ-WZONZLPQSA-N 441.532 1.463 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1)c1cc[nH]n1 772303794 RBYFCINTLHWQFL-AUUYWEPGSA-N 433.534 1.954 30 10 IDEE Cn1nccc1CC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 774050287 FNRDMVPGQQEQJZ-SFHVURJKSA-N 429.502 1.485 30 10 IDEE CS(=O)(=O)N1CCN(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC1 778696521 MQHOMJCSLCZMCB-UHFFFAOYSA-N 436.321 1.278 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n1 782524708 PLDNCEHGLDPLCJ-UHFFFAOYSA-N 428.861 1.833 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c(F)c1 790843655 QAFGWUCCVKAHPB-UHFFFAOYSA-N 425.454 1.381 30 10 IDEE CC(C)[C@H](NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc2c(c1)OCCCO2 798740808 CCTPIFVIZOWPLX-XOBRGWDASA-N 427.461 1.929 30 10 IDEE CN(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)o1 917417723 VTDLIQGEEXPXJE-UHFFFAOYSA-N 440.275 1.632 30 10 IDEE C=CCC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)OCC 1140926615 ZYUPRPGAULZQSL-HNNXBMFYSA-N 430.548 1.326 30 10 IDEE C=C[C@](C)(CCOC)C(=O)N1CCN(c2ncc(I)cn2)CC1 1150811573 ZRIQIIVTNJCOMQ-MRXNPFEDSA-N 430.290 1.959 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C)C1=O 1162713564 YGEHBSVQHITWAX-HNNXBMFYSA-N 448.520 1.601 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1 1163264405 SEJZPEDCYYUZCT-FQEVSTJZSA-N 436.497 1.785 30 10 IDEE N#CC1(C[C@H](O)CN[C@@H](CO)c2ccccc2I)CCOCC1 1176842553 VJSZWSPEVFKDOL-BBRMVZONSA-N 430.286 1.986 30 10 IDEE O=C(CN(CCC(F)(F)F)C[C@H](O)CO)NCC#Cc1cccc(C(F)(F)F)c1 1192023204 YXZSUUGWNDRXTA-HNNXBMFYSA-N 426.357 1.781 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1195261545 SSBIWKPHGOBQGP-LEWJYISDSA-N 449.573 1.382 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1286389189 GXVVBVYGZUYWKP-KRWDZBQOSA-N 434.566 1.368 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1286390746 BWEDFIUHRQSEIE-IBGZPJMESA-N 447.605 1.869 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286392461 MFFBRAMZNASRPW-NRFANRHFSA-N 441.601 1.786 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286711587 MWJVWBZDISSXSB-SFHVURJKSA-N 441.536 1.195 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)C1 1286780918 RFBJHQYCXLPFGW-UHFFFAOYSA-N 447.543 1.933 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(C(C)=O)CC1 1286789883 IMEMKTHSEBBHLB-UHFFFAOYSA-N 440.548 1.835 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286792278 SWEVYKNWRMPMFG-SFHVURJKSA-N 440.548 1.833 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCCC2(C)C)C1 1286809881 LUUOGCMBAMXZAE-LZJOCLMNSA-N 438.594 1.903 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(F)(F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825369 QGSMDUNQUHXYFE-QGZVFWFLSA-N 434.509 1.765 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1286960089 CCIWKFDRKVNBER-LLVKDONJSA-N 444.359 1.571 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1288505461 BRLNHESMQQJQDN-HUUCEWRRSA-N 431.522 1.489 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1296764309 RXRGIKWMYGQZKT-OPAMFIHVSA-N 440.504 1.559 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1299737543 XPZBESQSDGZXPJ-HNNXBMFYSA-N 437.451 1.238 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1300345145 PWWQIUIIWTZLKB-SFHVURJKSA-N 429.546 1.867 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1300432694 ZKOCXZBKAUHKMO-PGRDOPGGSA-N 428.537 1.789 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1300476928 XWTMNLCJEBHDJJ-HOTGVXAUSA-N 437.566 1.854 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300487871 MVCVVINPUYRFOI-UTKZUKDTSA-N 429.546 1.782 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)CC 1300512350 WSMUOQBZKKJRDB-UHFFFAOYSA-N 425.489 1.522 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)(C)C)nc1 1300603289 YJJXVFSIEVPJQE-HNNXBMFYSA-N 434.566 1.968 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNS(=O)(=O)CC)CC1 1300690402 KPLYLALOKZSGHU-UHFFFAOYSA-N 436.969 1.293 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CC1 1300698448 SQSIBOYTZKGMFD-IBGZPJMESA-N 426.496 1.593 30 10 IDEE CC(C)(C)OC(=O)NCc1cccc2c1N(C(=O)Cn1cc(C#N)c(O)nc1=O)CCC2 1300922389 IDNCAKPBPKNGOB-UHFFFAOYSA-N 439.472 1.825 30 10 IDEE C=CCCOCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301259403 LDKJOYDEDXVNQO-FGZHOGPDSA-N 433.553 1.628 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1301952177 HVEGNEZQJBAPFD-IIYDPXPESA-N 426.568 1.453 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1302501203 QMMYXVZCLVPBRP-SFHVURJKSA-N 444.561 1.762 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1303642649 XTDXOAFLJTXEDR-BZUAXINKSA-N 440.570 1.164 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N(C)C)c(F)c1 1303823278 LWDRBLSIAOVSCQ-CQSZACIVSA-N 449.556 1.882 30 10 IDEE C#C[C@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1308139649 AKNYIEYXOTUPLM-HNNXBMFYSA-N 425.938 1.787 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1315054872 SDVVZAXBLDWHBV-OAQYLSRUSA-N 425.493 1.084 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1 1358869565 OBKOPLOOJFVABE-MRXNPFEDSA-N 426.496 1.850 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1358913695 VTFHLCWZUHYEPH-MJGOQNOKSA-N 446.577 1.778 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359126530 SCSLGFMOQMIJON-INIZCTEOSA-N 448.549 1.532 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(CC)C[C@H]1COc2ccccc2O1 1359291570 VTPBPBHBEGMHBX-INIZCTEOSA-N 442.520 1.385 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nccs2)C1 1359306271 AKNHBLAQSLAJTO-UXLLHSPISA-N 448.549 1.339 30 10 IDEE CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359455131 HDAGGQJUDNEKJE-IBGZPJMESA-N 438.492 1.556 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1359926780 BLGIXLYWQHYLGL-UHFFFAOYSA-N 447.565 1.441 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)OC 1450973073 ZOFGARYWWOEDOU-SOUVJXGZSA-N 441.550 1.262 30 10 IDEE C#CCN1CCN(S(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)CC1 1463538522 GLZSOPIWYBRDSI-UHFFFAOYSA-N 426.336 1.663 30 10 IDEE C=CCCOCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1469634431 SIAHCUKQZSRZDE-ZACQAIPSSA-N 438.525 1.803 30 10 IDEE CN(CCN1CCOCC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503619642 QNEYPYXSQAODBA-XUTLUUPISA-N 443.552 1.231 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2COCCO2)CCO1 1505321629 CYRISZBZHSCVPZ-RYUDHWBXSA-N 440.323 1.913 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1507560118 BQPQWTMVKNGVLL-IRXDYDNUSA-N 436.582 1.141 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1507635176 UALSEAYUBPMNEB-QGZVFWFLSA-N 425.599 1.072 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCCC2)CCOCC1 1507658548 LWVATIGOHVIVKB-UHFFFAOYSA-N 426.565 1.524 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1507711499 VTFWFIUHHIPSST-LQWHRVPQSA-N 436.578 1.471 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507916200 LVWUWQNGUKTBQM-AEFFLSMTSA-N 432.594 1.959 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1507967421 GZZCHTGMXGFPIG-GFCCVEGCSA-N 441.941 1.983 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cscn2)CC1 1508076988 JGIDAIDUFJUFIN-UHFFFAOYSA-N 448.556 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1508135015 CRPWUPZDTAWDQR-ZDUSSCGKSA-N 438.941 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508140226 LCNBXZPRYAMOGB-UHFFFAOYSA-N 447.609 1.429 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1508144822 XZGGWNFDVWFSGM-KDURUIRLSA-N 448.545 1.636 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F 1517075559 RHEFSGDHLFKBLA-UHFFFAOYSA-N 434.447 1.741 30 10 IDEE CS(=O)(=O)CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1)C1CC1 1519520695 NKOWPMRDWGMBOA-UHFFFAOYSA-N 432.506 1.040 30 10 IDEE CC(=O)NC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1534462443 AFEILSWCPLHOFW-LJQANCHMSA-N 432.546 1.476 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1539324526 VLBAYYZRXVVXEL-SFHVURJKSA-N 442.564 1.992 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539371533 VCALNMDTOUGDSZ-APWZRJJASA-N 445.545 1.532 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCC2CC2)CC1 1539462690 LERQEFMYBJWSRV-UYAOXDASSA-N 428.581 1.478 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1540048354 UNKRTIUFIPZYAO-INIZCTEOSA-N 434.566 1.395 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1540192113 WMZZAYUIUBEKGE-GOSISDBHSA-N 440.342 1.836 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4cnnc4)cc3)CC2)cc1 1540728252 ABFXQAVHLYLZDX-UHFFFAOYSA-N 436.497 1.215 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1540870094 DYNCIKPHSFZUEK-CVEARBPZSA-N 445.524 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCc2c(ccnc2O)C1 1540901870 RVBDTNMKSOVZBY-UHFFFAOYSA-N 440.529 1.913 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1540914873 DVOHQTKXPBFHTJ-SJORKVTESA-N 443.639 1.857 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)N(C)C)n1 1543061421 CYDAIVFHBZBCRZ-LJQANCHMSA-N 448.579 1.683 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1554126096 ZVMKYEAUPMYNAQ-UHFFFAOYSA-N 444.561 1.227 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555781555 RPBYWFADAUUIPV-HMWBCQRISA-N 443.895 1.745 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1555792146 GKKHOMHQWCHVIB-MRXNPFEDSA-N 439.501 1.110 30 10 IDEE C=CCOC[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C(=O)OC 1556375815 SRCRJTNSPZXNCA-AWEZNQCLSA-N 428.283 1.821 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@](C)(CO)Cc1ccc(Cl)cc1 1557997167 CIDNOTIOSDDUTH-VBKZILBWSA-N 435.933 1.988 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1566706777 LVZMLNPMJCGESX-UHFFFAOYSA-N 430.486 1.513 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)CC2)cc1 1584870834 NLZXUONQIBNRGX-QGZVFWFLSA-N 432.502 1.058 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CO[C@H](CCC(=O)OC(C)(C)C)C3)CC2)c1C#N 1585101538 ZXPUNWZFYLFVLV-DLBZAZTESA-N 431.537 1.776 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)s3)CC2)cc1 1586835505 IQKVPZOJPJMDEJ-UHFFFAOYSA-N 434.543 1.510 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1588074821 SQNJBJRMXUWHKU-FUHWJXTLSA-N 430.534 1.097 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588280838 SAYPGNAOSAAKBD-MRXNPFEDSA-N 447.561 1.703 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cscn2)CC1 1589047956 OMSIFGPDSVVGNZ-UHFFFAOYSA-N 428.591 1.824 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1589294829 BCSCIKUHRZANAG-CYBMUJFWSA-N 448.387 1.804 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1593763197 DEVTZCSENHVGSC-HXUWFJFHSA-N 445.612 1.209 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1594857069 IDSSSGMNUUGWOR-LBPRGKRZSA-N 446.375 1.560 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)C1 1595728959 HWNXEKUGHGYSOM-YOEHRIQHSA-N 449.458 1.953 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(F)(F)Br 1596782555 JAILZRVFFDUQKC-IUCAKERBSA-N 429.291 1.472 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1612923061 ANEUEWUHBGDGAS-ZJYNUGOYSA-N 437.504 1.870 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)CC1 1615208743 GVMLFRUYPSNRMH-UHFFFAOYSA-N 436.516 1.440 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1616735184 SNAUZHMZKIAENA-UHFFFAOYSA-N 445.541 1.651 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1CCN(C(=O)OC)CC1 1619911671 CEKFHPCNFOKXNY-UHFFFAOYSA-N 430.513 1.523 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 1620352412 UYKSTTPKCVZAAD-HNNXBMFYSA-N 446.462 1.104 30 10 IDEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@H]1CN(C)CCO1 1621798445 KCJGFQNEYRHEPE-WBVHZDCISA-N 443.363 1.868 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 1624283242 HVUXLSSTWJFGKM-PMPSAXMXSA-N 440.525 1.708 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1627214632 MBHNETOODKXVAU-GOSISDBHSA-N 437.585 1.748 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CCN(CC#N)CC3)ccc2NC1=O 1628350916 RLDRYZOEFOZZSI-SFHVURJKSA-N 427.505 1.746 30 10 IDEE C[C@H]1C(=O)N(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C(=O)N1C 1633414827 UKBGVDMTJMRJQL-BLLLJJGKSA-N 427.461 1.706 30 10 IDEE C=CCN(C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)[C@H](Cc1ccccc1)C(=O)OCC 1634103297 CLNFQLYFGIOOEM-GOSISDBHSA-N 447.513 1.044 30 10 IDEE C#Cc1ccc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)cn1 1636427476 AGFJSSHGADDEGH-KURKYZTESA-N 426.473 1.718 30 10 IDEE Cc1ccc(C(=O)NCc2cn(C3CC3)c(=O)nc2O)cc1B1OC(C)(C)C(C)(C)O1 1636824188 RGWLVZMLTSMCTF-UHFFFAOYSA-N 425.294 1.821 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)ccc1F 1645184073 WQXAISJOQZTXPJ-RDYUPDBUSA-N 440.493 1.521 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCc1n[nH]c(C)n1 1649680157 AUSHFVIBEIXVTB-FQEVSTJZSA-N 426.456 1.977 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 1653549973 OKEGXHKWMCBFPM-QAPCUYQASA-N 430.505 1.930 30 10 IDEE Cn1[nH]c(C2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)nc1=N 1663534712 FNTMMJFKGILUMJ-UHFFFAOYSA-N 425.312 1.430 30 10 IDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1670709134 DHQZPMGYLLEPDS-SNVBAGLBSA-N 437.255 1.394 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NCC[C@@]3(O)CCCOC3)c(C#N)c2N)cc1 1683715668 HVCKLKHIGRXWPQ-QFIPXVFZSA-N 426.521 1.798 30 10 IDEE CN(C)CC#CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1685772378 HVONFTMFZNRWPQ-RTBURBONSA-N 449.596 1.489 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C1CC1 1689831393 KLERTEUHAPUTGC-CQSZACIVSA-N 443.577 1.531 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689864765 HZGUOROTLVMCEU-IAGOWNOFSA-N 447.561 1.605 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1689929983 IVEBURYFOJFSIB-MSOLQXFVSA-N 433.578 1.336 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690056615 ZSAZMTNCQQLMIH-KRWDZBQOSA-N 426.496 1.457 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1690150275 BIXXJNBILZFDBK-KDURUIRLSA-N 442.608 1.696 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690236399 MFWUTVTXPRLOFS-GIMINZRKSA-N 439.520 1.608 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690237311 XPIRSWXZDDYFPL-UFYCRDLUSA-N 446.596 1.699 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1690245681 LPGNRYDNCJASMQ-SCTDSRPQSA-N 448.593 1.840 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1690252713 HYZDNRPQYVWXND-PNQHUFSXSA-N 447.580 1.874 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1690320195 NBJIORUNXRPUBO-LAUBAEHRSA-N 437.541 1.800 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cn(C2COC2)nn1 1690517768 OGDOCKQEIOOJTQ-UHFFFAOYSA-N 433.314 1.879 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](COC)C1 1690662223 VIMJYKZENFCNTB-QGZVFWFLSA-N 436.516 1.956 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690720973 WNNWIOHZFRSBHW-HKUYNNGSSA-N 446.577 1.098 30 10 IDEE CN(C)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1696581041 NQSJFOGUKCBGFP-CEXWTWQISA-N 435.532 1.841 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C(C)C)N1CCCC1 1698254221 IVBXRSVWXBPYBL-HAGHYFMRSA-N 432.569 1.851 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1698483591 GEVLZJGCPRGRMC-YWZLYKJASA-N 429.431 1.438 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1705478098 WLPYKUXJBAFATE-SJORKVTESA-N 441.561 1.639 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CS(C)(=O)=O)CC1 1705485805 PUSSYDMSIFRQPY-OAHLLOKOSA-N 440.533 1.204 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705560063 IBXOSQXRTMKNFA-MSOLQXFVSA-N 435.594 1.821 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCCNS(=O)(=O)CC 1705578324 OKESODNXKPNTET-UHFFFAOYSA-N 436.541 1.896 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705580565 KJBPMBQVNGJATE-UNMCSNQZSA-N 445.571 1.513 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1705629687 QZEBYGWIUGQLTI-UHFFFAOYSA-N 429.488 1.374 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)C(C)(C)C)CC1 1705649061 IVRAPYLFZNDQRQ-UHFFFAOYSA-N 437.548 1.468 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1705700868 ZNDUAJZDGZRFIG-NXHRZFHOSA-N 439.582 1.581 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1705830510 RIONPPIQVQMLNE-KRWDZBQOSA-N 439.582 1.078 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1705906919 SRCGOQWSWLORPJ-KDURUIRLSA-N 429.521 1.626 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(=O)NC1CC1 1710731102 GPUBJSSNSZKOLH-UHFFFAOYSA-N 438.536 1.467 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1711236659 GOMKDTVNSLLETO-SFHVURJKSA-N 443.485 1.784 30 10 IDEE CN1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1711276044 PIJFTHIBGFCQNG-JOCHJYFZSA-N 425.537 1.468 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1711287385 HIDHLXHYCZDHFV-INIZCTEOSA-N 430.534 1.212 30 10 IDEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1722329571 DEHCUPDQQPZMJU-UHFFFAOYSA-N 448.531 1.134 30 10 IDEE C#CCN(c1nnc(C)n1CC(F)(F)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722365895 PWGDXVVBHPZMEK-CQSZACIVSA-N 447.508 1.373 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722397856 VRZRRSMWCZPVMT-RBUKOAKNSA-N 434.548 1.746 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)n1 1722428010 PLSSQHJYWGFNCJ-UHFFFAOYSA-N 446.515 1.388 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(F)(F)F)CC1 1722438537 URFJYZMCDQXKAF-UHFFFAOYSA-N 431.422 1.510 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCOCC2)CC1 1722447081 DHIMCEOUNVDXMO-GOSISDBHSA-N 428.537 1.012 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 1722553994 CTNKSHGWHFBHHN-AWEZNQCLSA-N 443.982 1.988 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(O)CC2)C1 1722709619 UKWRLGBKWZCVKF-IBGZPJMESA-N 432.569 1.142 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1722721625 HYZSKPAQGSEZCX-AUSIDOKSSA-N 436.516 1.988 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1722843765 QNHSUBXGXFNYLF-ZWKOTPCHSA-N 446.458 1.582 30 10 IDEE CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729163807 YZKBQEFCJQPLDL-INIZCTEOSA-N 429.550 1.483 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCNS(=O)(=O)CC 1740729765 MJSKSNVNNOIBKF-OAQYLSRUSA-N 447.561 1.894 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740747898 ZYBRAKDQECGENN-UONOGXRCSA-N 437.342 1.366 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN2CCOCC2)c1 1740891023 OXLHAWFMNMIQNQ-QGZVFWFLSA-N 448.593 1.391 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1740926039 QGZHGDLBKPAGFQ-OAQYLSRUSA-N 434.610 1.803 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740962558 HIWCJHAIGDBSEQ-HNNXBMFYSA-N 429.506 1.502 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3c(cccc3OC)C2)nnc1[C@@]1(OCC)CCOC1 1740966468 YPIMNQMWIPCLBO-HSZRJFAPSA-N 441.532 1.804 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CSCCS2)C1 1740973519 YUMJEKBFGIAMQF-ZNMIVQPWSA-N 447.652 1.518 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740990686 CXIOPLDYCNWUGE-MRXNPFEDSA-N 436.538 1.806 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](COC(C)C)C1 1740991599 ADSKSYFQGBLYCN-DLBZAZTESA-N 428.555 1.013 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1740991767 DGSVIHAZVVQQBI-UHFFFAOYSA-N 435.550 1.633 30 10 IDEE C=CCSCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1741004412 AAGDPBVHVWNHPS-YJBOKZPZSA-N 430.596 1.473 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1741798006 CPFFYTNIALQVPQ-SCLBCKFNSA-N 436.358 1.851 30 10 IDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 1748015040 BQQDZKCEAIBBRW-IBGZPJMESA-N 439.545 1.806 30 10 IDEE COc1cc(Cl)ccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1748556909 BGULMHUUPVPQOG-MRXNPFEDSA-N 430.896 1.953 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748756693 RTOQJLASRSFMCD-KNQAVFIVSA-N 435.576 1.666 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1748809964 XYQDCDYKWMWILR-LJQANCHMSA-N 443.573 1.613 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748822148 YXXFIFFYHMEULI-XLIONFOSSA-N 434.587 1.827 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1748829654 FXNYFKGNFYVSCG-JOCHJYFZSA-N 425.489 1.464 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1748892927 YCCPJLPHYNDBOK-PMACEKPBSA-N 431.606 1.764 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1748984061 KKYIHIQHWUZOCH-IBGZPJMESA-N 442.589 1.290 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1(C)C 1749196587 PURDOTREOSDOTB-DYESRHJHSA-N 445.545 1.228 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749268965 KJSDDFVOSQLCHA-HNNXBMFYSA-N 437.932 1.776 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749364294 PCHUZASDEFWROU-AEFFLSMTSA-N 443.596 1.621 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC1)C(C)C 1749556902 BVNAHYGSRXJUEB-RTBURBONSA-N 437.610 1.715 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1749600234 SUZJKCPDRURHLG-KUNJGFBQSA-N 432.612 1.366 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749657915 FUXAMSBFHDHNGS-RDJZCZTQSA-N 444.536 1.516 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749681850 JYTLXBSISGINAF-MBSDFSHPSA-N 447.580 1.752 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749703523 JTRLHVZNCMRUHZ-UTKZUKDTSA-N 432.546 1.584 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749729790 SBOZEEKROKFMMZ-NVXWUHKLSA-N 430.534 1.188 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(=O)(=O)CC 1760170702 NGEDMGRAYDKGKR-UHFFFAOYSA-N 428.518 1.999 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1760209501 DYPWZWWKXBEPOZ-QGZVFWFLSA-N 441.557 1.725 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1760260081 LHIALTMFYFWVMM-GOSISDBHSA-N 425.512 1.238 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCCOC)CC1 1760260446 SODRRBQTNUGCNI-IBGZPJMESA-N 438.532 1.058 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760427787 INUHZBOEEFFFQQ-IPMKNSEASA-N 437.610 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1760521676 AQMKFEJYCNUUFV-QUCCMNQESA-N 441.532 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](COC)C1 1760555312 BWNNHKMUAYTINC-JKSUJKDBSA-N 425.555 1.083 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1760557872 YKQHUQJOYWPETM-QGZVFWFLSA-N 431.518 1.555 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1765022859 DUEDTTLFXRCKDP-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1)S(C)(=O)=O 1766867597 RCUAJRBKJFZXRD-GOSISDBHSA-N 432.550 1.713 30 10 IDEE COCCN1C[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1771124348 HPFWAYFFDMJOOL-HOTGVXAUSA-N 440.508 1.159 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1772564655 QCCZOYQLITVOHG-UXHICEINSA-N 445.589 1.876 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1772566363 GCMGPOIVPYJNKG-BBWFWOEESA-N 445.568 1.053 30 10 IDEE CN1CCCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851363533 GUGQXRNPCTYFCH-NRFANRHFSA-N 426.542 1.612 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(C#N)c2)C(=O)C1 1853853656 YNAVDTCRXZHYQQ-UHFFFAOYSA-N 427.482 1.857 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1F 1855005095 VSGLMRJFXRBBRB-CYBMUJFWSA-N 433.436 1.827 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C4CC5(CC(=O)C5)C4)C(=O)C3)C2)s1 1856325948 RAQCJFIVQHLUSY-MRXNPFEDSA-N 426.542 1.624 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C3CC4(C3)CC(F)(F)C4)C2)CC1 1857033660 FEZBTROTXUZBHF-CQSZACIVSA-N 429.489 1.752 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1 1858639969 NPNKOAFYUHLRLE-UHFFFAOYSA-N 433.486 1.808 30 10 IDEE CC(=O)N(CCN)C(=O)[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(C)C 1868784474 XLVSLBQVQBMKEK-MJGOQNOKSA-N 433.578 1.499 30 10 IDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCO)CCO)nn1C(C)(C)C 1869954013 IVLXTSMLRJWWBE-UHFFFAOYSA-N 433.509 1.406 30 10 IDEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN1CCC(O)CC1 1870328991 XUNOONLWWSKUFC-UHFFFAOYSA-N 442.512 1.992 30 10 IDEE CCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cnc(N(C)C)nc1 1873504953 UEQXAWBVMWWRJI-FOKLQQMPSA-N 428.522 1.970 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2c[nH]c3ccccc23)CC1=O 1874338079 MQBKXRXMRZRPDS-GUTLRLRMSA-N 425.518 1.943 30 10 IDEE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H](C)CC1=NO 2108229503 UJOFLURNLGZBQP-VPZZIHKRSA-N 425.482 1.901 30 10 IDEE Cn1nc(C(=O)NCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247838153 DJIKYYILQOHZFN-UHFFFAOYSA-N 444.725 1.559 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCCO)Cc1ccccc1 2247954205 ZFFFPPASJIZPAP-UHFFFAOYSA-N 435.355 1.293 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628624 KKCVPXWCPMNWEK-OKILXGFUSA-N 432.330 1.933 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1NC(=O)OC(C)(C)C 2255658974 LMNAGPFUXNSIDY-HIFRSBDPSA-N 434.346 1.705 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)n1 2255839349 URAOUAIPIQQPDA-UHFFFAOYSA-N 435.334 1.149 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267604248 LKXPPVHJUUYGCE-OKILXGFUSA-N 447.345 1.338 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268680536 LYYKTOIXYDOPHL-QFIPXVFZSA-N 447.341 1.939 30 10 IDEE Cn1nc(C(=O)N2CCCC[C@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037313 UEFZIATVUVUXSY-LBPRGKRZSA-N 425.722 1.740 30 10 IDEE CCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1OCC 2330743849 FPSKHLLQIZVDRA-UHFFFAOYSA-N 434.522 1.561 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccc1O 2330794294 RGBGWSSGNLGYIS-UHFFFAOYSA-N 438.513 1.911 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3C(=O)NC4(CCCCC4)C3=O)cc2C1=O 25938883 UOABLRKAUUVFHI-UHFFFAOYSA-N 438.484 1.843 30 10 IDEE CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 72399974 IGSXVMLPPCPFBT-ZNWREMJPSA-N 448.487 1.598 30 10 IDEE in-vitro COc1ccc(OC)c(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 252612023 IPDDWOBGHTVSSU-UHFFFAOYSA-N 429.481 1.008 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nccn5cnnc45)[C@@H](C)C3)cc2C1=O 433573179 WMZLWYQCERHMRU-AWEZNQCLSA-N 431.456 1.257 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1Cl 435713308 CNDHBQRJTGIEEM-MRXNPFEDSA-N 443.956 1.832 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)CC2)n[nH]1 440749173 AKFFFOWRUSUXPT-UHFFFAOYSA-N 436.501 1.391 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 465118225 DKELBVFGACVONC-ZIAGYGMSSA-N 426.427 1.717 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)N3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cnc21 473567397 FVWASFHHDCQSJV-KRWDZBQOSA-N 425.880 1.192 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1C[C@H]1CCCO1 504057918 MYUHSQGCGLPJLR-MRXNPFEDSA-N 443.956 1.856 30 10 IDEE CCOC(=O)c1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 508150854 NVLWSQSZPFJUNO-UHFFFAOYSA-N 445.501 1.508 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(F)c2)c1=O 522109739 UCSBVUVJWDCKDX-UHFFFAOYSA-N 428.485 1.874 30 10 IDEE COc1ccc(NC(=O)CN(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 533595668 VQAUPFJANACATN-OAHLLOKOSA-N 436.534 1.279 30 10 IDEE N#CC1(c2ccc(C(=O)N(CCCN3CCOCC3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 540771341 QDVWKJSDFAQZPL-HXUWFJFHSA-N 431.558 1.593 30 10 IDEE COc1nc(N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)ncc1Br 546769825 POYFIQRXCOKDMS-UHFFFAOYSA-N 444.355 1.783 30 10 IDEE N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCCC1 546798708 HIGFOFBWJITAQG-QGZVFWFLSA-N 441.575 1.647 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(C(=O)OCC)s2)CC1 549278973 DITDKUJBAYCBMG-UHFFFAOYSA-N 447.565 1.952 30 10 IDEE C[S@@](=O)Cc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 566947305 NIJQDFLHOKSNOF-GDLZYMKVSA-N 446.554 1.975 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COc2ccccc2)C1 579096364 LKWGWDDLMUNSBV-WMZOPIPTSA-N 435.550 1.749 30 10 IDEE CCOc1ccc(OCC)c(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccccc3)c2=O)c1 608883482 CUCZKLLYGBNZMX-UHFFFAOYSA-N 449.532 1.945 30 10 IDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 619836388 RKIZTVUQTSRKGF-UHFFFAOYSA-N 435.510 1.358 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCCC3)c1=O 644619822 GDTIWSUCYHRDMU-UHFFFAOYSA-N 449.576 1.749 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 729332314 XNOFLZCQOOVMFI-FUHWJXTLSA-N 438.571 1.370 30 10 IDEE C#CCN(C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)[C@@H]1CCS(=O)(=O)C1 729333948 DGWXCVVCXZWXTE-MRXNPFEDSA-N 438.552 1.811 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729672122 YIXBJMTWOXPAOM-UHFFFAOYSA-N 435.553 1.775 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 733890426 FPSPFJUWMWRLHJ-UAFUQJIBSA-N 432.908 1.746 30 10 IDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 742408634 NBMQCUIKFRZYHX-MRXNPFEDSA-N 428.514 1.630 30 10 IDEE COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 747445523 VNDVJWWCNQPMEX-KZNAEPCWSA-N 433.530 1.293 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3CCc4ccccc4C3)cc2C1=O 750647143 FHUUZZNJCJLEIR-UHFFFAOYSA-N 425.466 1.502 30 10 IDEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@H](C)C(=O)NC 751920603 BDLYEVAMOYEUSR-RHSMWYFYSA-N 433.578 1.383 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC2CCS(=O)(=O)CC2)C1=O 755562703 IYNMUQGTLQEIFW-INIZCTEOSA-N 434.543 1.451 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 760908985 NUGSEDMOUROVSH-MRXNPFEDSA-N 432.546 1.413 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1CCN1CCOCC1 767956338 SIVJUYIGCBRIIG-HNNXBMFYSA-N 443.569 1.570 30 10 IDEE C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 777172260 NLSDTZCIEQQGSV-OAHLLOKOSA-N 441.509 1.793 30 10 IDEE COc1ccc(CNC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1C#N 797468947 SHIAOXKPWAXYKT-NRFANRHFSA-N 429.498 1.638 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 804162749 QXPWNZOTUOKLGI-CXAGYDPISA-N 434.468 1.454 30 10 IDEE C[C@H](CC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 816805308 SSQBHWVDUFAIFG-HUUCEWRRSA-N 441.575 1.320 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837696836 RBAFTYUTCSTMSK-UHFFFAOYSA-N 448.552 1.272 30 10 IDEE CC(CC(C)C)=NNc1nc(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)n[nH]1 1084381264 OAKDOCXPUMQQQG-UHFFFAOYSA-N 435.558 1.767 30 10 IDEE CNC(=O)CNC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2C#N)c1 1128375193 LVGWRKWXWIGBAZ-UHFFFAOYSA-N 429.274 1.978 30 10 IDEE C=CCCn1cc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nn1 1133399747 AAYYDWICIYIXSJ-CQSZACIVSA-N 427.527 1.008 30 10 IDEE CN(C)CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1137205370 YUBMZUOINVJVCC-IAGOWNOFSA-N 444.598 1.541 30 10 IDEE CC(C)(NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605354 OOSYFNZOFFTVGX-KNVOCYPGSA-N 432.333 1.944 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)C[C@@H](C)O1 1219066806 CSGVKWWRNKSCOK-GHMZBOCLSA-N 448.958 1.172 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1286324993 VWXBQNRLZCAYNN-SFHVURJKSA-N 433.516 1.710 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1286387204 OVSDBIHYCSBSQI-GOSISDBHSA-N 432.594 1.642 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCOCC1 1286442802 NICVLWAQTJSLTR-UHFFFAOYSA-N 432.550 1.239 30 10 IDEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286705597 ASJLWWOYUVWSEF-GOSISDBHSA-N 432.569 1.655 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286788880 JMEZDSUJHSFGQE-HOIFWPIMSA-N 426.521 1.339 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC2CC2)C1 1286819620 PZURNWADRWSQKK-IRXDYDNUSA-N 437.566 1.225 30 10 IDEE CC(C)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1287271818 WNPXJHYBOMBOKZ-JHBCHSCWSA-N 441.536 1.409 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1288320759 CSLUREJPSAOCIE-AVRDEDQJSA-N 446.552 1.450 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCCC1=O 1291189759 HZDZQPJXXKXSTM-KRWDZBQOSA-N 435.532 1.886 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC(F)F 1291601235 DOXNCTXJURPNOH-CQSZACIVSA-N 432.479 1.766 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 1300410275 MKXZYCPKANWLKA-MSOLQXFVSA-N 439.582 1.277 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nnn(C)n1 1300654082 SSCWPYXQHYOYQT-AWEZNQCLSA-N 430.900 1.729 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCOC1 1300665232 JMSVCOIWJSOCKD-LJQANCHMSA-N 435.322 1.945 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nncn2CC)CC1 1300683239 XXWJEXQTZHAYLC-UHFFFAOYSA-N 447.547 1.562 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1300769394 GDZTZQRIVIQYAK-NQIIRXRSSA-N 430.578 1.890 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1301952166 HUBYSVQSHDOYMB-ZACQAIPSSA-N 445.593 1.935 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1302468870 LBOKUDKLSYRXKY-LJQANCHMSA-N 439.488 1.511 30 10 IDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)COc1cccc(Br)c1C#N 1302817536 HEZBDCUJZBFGMT-CYBMUJFWSA-N 427.251 1.510 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCOCCCO)c1 1302989325 KMVOPJPBSLDZFO-INIZCTEOSA-N 425.411 1.983 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1Cc1ccc(C#N)o1 1303405212 LSMNIDRUYLVKQG-UHFFFAOYSA-N 439.520 1.911 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1303488554 DKIDZODWPJTYJC-YCRPNKLZSA-N 428.493 1.499 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2cccs2)n1 1304762140 FGODDENEXODZGB-UZLBHIALSA-N 427.534 1.838 30 10 IDEE C[C@H]1C[C@@H](C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1304922836 BXQQGPOPMXTNNM-SKRHAUIRSA-N 441.536 1.409 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(S(C)(=O)=O)[C@H](C)C2)n(Cc2ccccc2)c1C 1307930544 DRDUOGONOVYZJZ-MRXNPFEDSA-N 443.573 1.929 30 10 IDEE CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1314652111 CZNTWKWBJFNIIR-JKSUJKDBSA-N 429.550 1.339 30 10 IDEE CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1314674451 CZCHOIRCBMXXBF-LJQANCHMSA-N 444.561 1.887 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1315961947 BUSRLTUZZWBIFL-LAUBAEHRSA-N 426.477 1.245 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1351737059 WHCYHRCVOYAYEH-UHFFFAOYSA-N 429.380 1.664 30 10 IDEE C#CCCCCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1358917646 WYECCKRXAOONQR-FQEVSTJZSA-N 439.582 1.252 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358958399 NHUHYZHOZBNKBR-ZWKOTPCHSA-N 447.517 1.905 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1358968966 CYNQHJMTILWIMY-KRWDZBQOSA-N 438.557 1.994 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CN(C2CC2)C1=O 1359019966 NGLVFQDMHSVHBK-QFIPXVFZSA-N 438.488 1.950 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)COCCO1 1359025460 PDSQPHDISDSOJK-UGKGYDQZSA-N 428.489 1.682 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359033869 UNSNFAMIXRXETM-XTQSDGFTSA-N 445.527 1.535 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1359039772 VFBRBFTWFRJBQX-JOCHJYFZSA-N 426.496 1.230 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCC(C)CC2)CC1 1359043924 NWSTZBOEYAFVPX-UHFFFAOYSA-N 438.580 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)NC)CC1 1359045754 RXRMIBMKXPRFOJ-UHFFFAOYSA-N 444.486 1.249 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1359105110 KBZLZYITXQQMFE-QSNWEANLSA-N 433.553 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCOC1 1359331344 WDFUWZISYDDLKT-IBGZPJMESA-N 442.545 1.957 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C1 1359433402 IAXCXEOQICHKJU-IBGZPJMESA-N 437.548 1.941 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)OC 1450973061 ZOFGARYWWOEDOU-ILXRZTDVSA-N 441.550 1.262 30 10 IDEE N#Cc1cccc(OCC(=O)N2CCC(n3nncc3I)CC2)c1 1453429713 KZDHKLDIFNGUJI-UHFFFAOYSA-N 437.241 1.997 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2C1 1456613873 OTWQZXNUKGODGX-PGRDOPGGSA-N 445.541 1.990 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(CCCF)CC3)nnc12 1457870015 CHVILLCRELUZOT-UHFFFAOYSA-N 444.536 1.826 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 1460840690 ZCGAJFDLRQPGBB-UHFFFAOYSA-N 432.546 1.596 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1 1469464138 RTCNMCCJXAFTSR-LJQANCHMSA-N 443.525 1.676 30 10 IDEE N#C[C@]12CN(C(=O)NCc3cc(F)c(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1470986433 JSLWFAINGGUUJW-ZUZCIYMTSA-N 434.262 1.807 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1494915376 DTJIFRYRQFLHEQ-PASDCYSWSA-N 442.586 1.004 30 10 IDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1 1502619419 VMUUPYZFFGIXHS-IFXJQAMLSA-N 437.522 1.312 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCC(C)C)CCO1 1503770120 CZGOLUQUEWATHC-WMZHIEFXSA-N 440.548 1.955 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1507538358 LSPMWEWXHYXPAG-IEBWSBKVSA-N 445.589 1.627 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2ncccc2F)CC1 1507577446 ZNYOGJJWMXMRSP-INIZCTEOSA-N 449.556 1.553 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507659248 PRQDMPZILICPHD-CGXNFDGLSA-N 429.565 1.574 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1 1507662690 VFRITGQJYSVRIA-UHFFFAOYSA-N 437.500 1.284 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(C)(C)O)cc1 1507703435 VWXXXTNPDKJPEM-UHFFFAOYSA-N 425.533 1.876 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1507820503 FPHYGJPTJVKFSG-MRXNPFEDSA-N 444.623 1.940 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](c2ccsc2)C1 1508070871 FVYFTYAXVOUTGP-HOCLYGCPSA-N 432.550 1.746 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1508095677 QSDMLTRIQRNESP-UHFFFAOYSA-N 426.496 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1C(C)(C)C 1508149799 XHQVFLACHONNDK-UHFFFAOYSA-N 435.550 1.732 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)O 1513367762 JVIAKDNWUJTWPQ-UHFFFAOYSA-N 427.509 1.502 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H]1C 1515808812 GNNRXTXZZLXOPB-QZTJIDSGSA-N 437.548 1.594 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCCCS(C)(=O)=O 1517124501 IYDNAYQAABYHCO-SFHVURJKSA-N 444.561 1.952 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)ccc1F 1531618337 PXJRELPTRVMXFZ-IBGZPJMESA-N 428.482 1.521 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1532528688 CXXOKNXQSIUVIH-UHFFFAOYSA-N 448.273 1.741 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OC 1535347261 QDVFHJMHJDUTGW-INIZCTEOSA-N 430.473 1.990 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CCOC 1539002157 QORJNWHJGNQLJE-INIZCTEOSA-N 433.582 1.274 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 1539206278 NYGSMGDUJSITBZ-QZTJIDSGSA-N 431.537 1.879 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539220334 ITKOSDRIBKPIFE-IPMKNSEASA-N 435.594 1.141 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1539266210 NOWQUPMISSMYSJ-NRFANRHFSA-N 435.528 1.974 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1539340262 JWAPKFJFTFLSNA-QGZVFWFLSA-N 434.504 1.786 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)c2ccccc2)CC1 1539429669 BCECFANKTHAAQQ-XMMPIXPASA-N 438.576 1.822 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539751960 YBWJNXHZZHTJLO-ZWKOTPCHSA-N 446.552 1.879 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540867606 AXDIMTATAJVYMU-RBUKOAKNSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](COCC)C1 1540869637 SHCMSJQOFXJTET-HNNXBMFYSA-N 430.509 1.561 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540872697 XUPSUFSDXBVMNJ-GOSISDBHSA-N 428.512 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@](C)(CC)C2)nnc1[C@@]1(OCC)CCOC1 1540908726 MLTHGQYJFHBYPD-WOJBJXKFSA-N 442.582 1.536 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1541106597 ZGVCOMYGHBULSC-DYESRHJHSA-N 443.573 1.894 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(I)cn1 1544572124 MUUOLFGKVCUSDI-NSHDSACASA-N 434.241 1.699 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2OCCOC)C1 1561912925 FPZCKZWUPOBNQN-OAHLLOKOSA-N 431.352 1.850 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1587551006 XMDCJIWRLCFSOI-SFHVURJKSA-N 437.548 1.223 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1CCCO 1587667988 PYQSNZOQSADVDQ-SJORKVTESA-N 430.578 1.574 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO 1588074220 LASGHWKRLOXAGS-QFIPXVFZSA-N 448.571 1.494 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(F)ccc2F)CC1 1588923989 SSTVJDKIWXHIIW-UHFFFAOYSA-N 439.470 1.971 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1589483227 NLNZTPJLAQJMBS-JYJNAYRXSA-N 427.571 1.267 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1594669198 QTPXWNKIGSCJJJ-UHFFFAOYSA-N 433.538 1.410 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(C)(=O)=O)C1 1595699886 IOYYHLBLNPWJKM-INIZCTEOSA-N 436.534 1.788 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1 1608111980 GDLOJJZGVZYHKM-DLBZAZTESA-N 439.509 1.675 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1611633564 IDHITVLPQPBRQJ-FOIQADDNSA-N 433.534 1.492 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1616922560 DRFNUZUHCYLYLF-INIZCTEOSA-N 433.463 1.832 30 10 IDEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1620356559 BNNMWSLAJMBCLC-QBNCKDSPSA-N 425.493 1.266 30 10 IDEE N#C[C@]12CN(C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1620635757 YKHQDCHIJRMXTK-SGIREYDYSA-N 433.299 1.198 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1623751152 YCBNOXCKNCWJCE-MOPGFXCFSA-N 428.533 1.664 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCO[C@@H](c2cnn(C)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1628571861 BWCQVNKIQASSTQ-FRFSOERESA-N 431.518 1.274 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 1629410063 UMIMTDKKKGIAIV-UHFFFAOYSA-N 431.514 1.468 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CCOCC3)n2)s1 1632063897 CSXYAHCDFXQOPG-UHFFFAOYSA-N 436.559 1.621 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1632247039 RZTDPBYMUGRHHK-MRXNPFEDSA-N 430.571 1.024 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)NCCN2CCNC2=S)cc1[N+](=O)[O-] 1638000555 YQOJBIGJEYFAGR-UHFFFAOYSA-N 443.489 1.300 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 1638473755 BJSYNYGTNRAWSQ-UHFFFAOYSA-N 433.559 1.571 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@@H](C(=O)OC)[C@@H]2C[C@H]12 1639016886 KCKLVOWBVLABQU-JJTUDDRGSA-N 433.530 1.598 30 10 IDEE C=CCn1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)nn1 1639561284 KFCSHVJKPGHZRZ-OAHLLOKOSA-N 439.563 1.381 30 10 IDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)C1 1640070138 LLJANGUBNXSHGW-UHFFFAOYSA-N 432.420 1.192 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1643512719 LEBXOIXRKMSHLG-KRWDZBQOSA-N 440.949 1.250 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)c1 1645173577 NKLXUHAZAMRNHB-UHFFFAOYSA-N 437.475 1.711 30 10 IDEE C[C@@H](NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(OC(F)(F)F)cc1 1654975430 RPLYEDGOAKODDM-HACGYAERSA-N 431.436 1.633 30 10 IDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1669206250 CBCRAWSBRAWHBT-YUTCNCBUSA-N 426.461 1.013 30 10 IDEE N#Cc1cc(S(=O)(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)ccc1Br 1671680181 ALUSQIGDDIAHPT-KRWDZBQOSA-N 436.287 1.829 30 10 IDEE O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NC[C@@H](O)C(F)(F)C(F)(F)F 1686261698 MYKHWZMFLVCWID-SNVBAGLBSA-N 441.325 1.101 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCC(F)(F)F)CC1 1690146775 WFGLSLAGIVTLJP-UHFFFAOYSA-N 442.486 1.511 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1690210746 KMCONKTVIAMVFF-LJQANCHMSA-N 447.586 1.839 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690665569 IIHMQSXDZCRGDN-HNNXBMFYSA-N 442.520 1.356 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1690731232 DMOUDJNWFOSQEV-ZWOKBUDYSA-N 437.566 1.733 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1692528281 ZQUAMFDLIRCNSY-IUTYPILCSA-N 427.509 1.322 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1692586779 PMLTUSWPWUXWAR-NHCUHLMSSA-N 436.532 1.923 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1697988942 OVMBETBZXJUBOC-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C 1705516833 JQOYKDKFIXTLET-ULQDDVLXSA-N 441.623 1.745 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1705566333 NIUNQIRNRKNWNM-LJQANCHMSA-N 444.557 1.856 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705753833 JYNGTDUNYHUSSA-ATZDWAIDSA-N 436.988 1.913 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)S(=O)(=O)CC)CC1 1705769216 MLPZEWWKRFOOSS-INIZCTEOSA-N 445.611 1.008 30 10 IDEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705824423 PPEIXBBYPVUARW-IIBYNOLFSA-N 432.525 1.369 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1705907082 ZIOLUGKMYNUGMO-GOSISDBHSA-N 440.548 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705932309 AZYOGMUVYNNBPC-HNNXBMFYSA-N 447.517 1.195 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705945775 RMSLCWRKDMTABS-SJORKVTESA-N 441.623 1.706 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1COc2ccccc21 1706870426 BTDCAJHAQPIULQ-KSMMKXTCSA-N 434.497 1.506 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1711085362 DUELUFPISGHOQD-CEXWTWQISA-N 445.545 1.228 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1711589938 BLFHOLYORKOACV-KUHUBIRLSA-N 436.538 1.797 30 10 IDEE COc1ccc(OCc2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1711882501 NQIXDNUBDQJQSP-QZQOTICOSA-N 438.488 1.992 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCOCC2)c1 1722274312 JXWQHCAHMMCONA-LJQANCHMSA-N 436.560 1.853 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1722350494 BIYOPKOELOVCAB-PXNSSMCTSA-N 439.582 1.012 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1722431635 OBCGBECGJUPWGJ-UHFFFAOYSA-N 436.516 1.583 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722458540 MQLKTEPSAFMFLR-WMZOPIPTSA-N 432.594 1.285 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722461143 DGYLAONUMZCLEF-SFHVURJKSA-N 432.594 1.068 30 10 IDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1722522374 MGFOVSSCZOVJEK-RBUKOAKNSA-N 434.585 1.759 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1729740538 ANAUNNYIYKBRDC-GOSISDBHSA-N 442.501 1.537 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1740567304 PUVYNHQMRGTMCY-INIZCTEOSA-N 446.581 1.117 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOC1=O 1740616353 ZKSACUWZTXMHRX-IYBDPMFKSA-N 432.525 1.961 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCCC 1740664632 XRSJFVYXNXBWEM-UHFFFAOYSA-N 432.550 1.181 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740671187 ATSZKMSRNZAIGN-HUUCEWRRSA-N 433.500 1.524 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CC1 1740697114 RWKFJGNXXBUEJC-UHFFFAOYSA-N 426.952 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)CCC2)CC1 1740702053 HLNCNJWPRMFWBP-HNNXBMFYSA-N 436.582 1.044 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](NC(C)=O)C1 1740955495 WHMAKIJNQWDYQN-MRXNPFEDSA-N 426.477 1.081 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740965682 RCWRWUHGHQCMJW-XXBNENTESA-N 446.596 1.686 30 10 IDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1745608787 GDDXXZOZAFCXDF-UHFFFAOYSA-N 445.593 1.630 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1746286040 BIPHOHVWCHTEFJ-VXAPJYQHSA-N 430.509 1.314 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1748319203 GNSUONRHCSSCEK-NYHFZMIOSA-N 425.489 1.746 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1748745611 UVPGPDYHAGPGQJ-KRWDZBQOSA-N 436.516 1.847 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(C)CCCO2)n1 1748971046 BJHFTUHDPCHWQB-AVRDEDQJSA-N 441.536 1.281 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749084692 UBNRRFKGWVVILM-CHWSQXEVSA-N 446.309 1.549 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749242003 YUTDYNPYINJWOL-VXKWHMMOSA-N 449.552 1.942 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCS(=O)(=O)NC(C)C)CC1 1749285280 CRXMKDXNLQBJCO-UHFFFAOYSA-N 426.587 1.681 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749285755 WEHRBLRBMQJLNG-WMZOPIPTSA-N 440.976 1.401 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCN(C(C)=O)CC1 1749471093 JEVYAJXPIIKQFJ-UHFFFAOYSA-N 446.577 1.135 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1749726678 ADNLBCLGDFWSQH-UHFFFAOYSA-N 444.561 1.768 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1750985010 DMLLLJNZBAQOQS-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760281917 ZUQMGVMOJHVMCB-KRWDZBQOSA-N 447.586 1.636 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760306623 GWJMEOFFMWDGHH-CQSZACIVSA-N 437.342 1.587 30 10 IDEE C=CCCOCCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1760448295 YVCZULHDJWHTTO-UHFFFAOYSA-N 428.541 1.132 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760805784 IQOLCCQVUYDUSP-AOYOOGHLSA-N 444.561 1.864 30 10 IDEE CC[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762444956 VHVKCRZCNMNERV-JCBINSKWSA-N 441.536 1.667 30 10 IDEE C[C@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)C1 1762914205 AZQIKPCOITVDOD-KRWDZBQOSA-N 445.593 1.534 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCOC3)n1CCOCC(F)F)C2 1770735895 RKARISNMFAZUPE-ZDUSSCGKSA-N 434.447 1.989 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1771149302 BOSMDBWYAFKKKL-UHFFFAOYSA-N 440.548 1.802 30 10 IDEE COc1ccc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857053856 WWYQNFMRAKYVFB-GOSISDBHSA-N 433.530 1.568 30 10 IDEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(CO)CC1 1870350132 QYSVNPOJVAXNCU-UHFFFAOYSA-N 438.528 1.639 30 10 IDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)ccc21 1891923041 GBMBUAAFMLHFDO-KRWDZBQOSA-N 441.513 1.879 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1892226666 JHHLDCUQVHEITB-QGZVFWFLSA-N 444.517 1.060 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2015034568 QKUBKQWYHCNYKD-BRLLKYFNSA-N 437.537 1.924 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124521001 AUTLFOPXQUHCHI-YJBOKZPZSA-N 448.369 1.919 30 10 IDEE CN1CCO[C@H](CN(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2172779155 YVPAEUQIDAMMBA-AWEZNQCLSA-N 426.164 1.910 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248420008 LTDPRNMZXBYCDB-VXGBXAGGSA-N 438.359 1.843 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248443641 POZIHCZZZOPLPY-ZDUSSCGKSA-N 440.371 1.797 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)n1 2255648537 MEJGOXZOIGUDOY-AWEZNQCLSA-N 435.330 1.305 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1 2255838286 CYSGSODXLICVQY-ZDUSSCGKSA-N 433.318 1.020 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H](O)C1 2255853589 RZWWXICQEJXJTN-OAHLLOKOSA-N 435.330 1.368 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]2C1 2267009773 OJFTUHASHQRHDY-XHSDSOJGSA-N 448.325 1.943 30 10 IDEE CCn1cc(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267492209 PLKFEZNOGGGOJC-KBPBESRZSA-N 446.357 1.797 30 10 IDEE Cc1c(C(=O)N(C)C[C@@H](O)COCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267510775 QULUIJWWHMAJFJ-GOSISDBHSA-N 443.353 1.677 30 10 IDEE Cc1cc(S(=O)(=O)NCC2CC3(C2)OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2267708988 UNSFICWPAQZAQH-UHFFFAOYSA-N 429.369 1.787 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2334529350 WHVPLZQAWQKTCS-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 460929343 DSQSVSJMSXOVNV-GVDBMIGSSA-N 441.598 1.827 30 10 IDEE Cc1ccc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1S(=O)(=O)NCC#N 462747463 VTJGQUWJTNUBQH-UHFFFAOYSA-N 447.492 1.098 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 474521006 YMMLDDKMKWGXJH-OAHLLOKOSA-N 430.484 1.875 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1 481006306 XUGGKGRYWRXCSL-DZGCQCFKSA-N 428.536 1.308 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 508724244 PHUDTACVALXQAG-KRWDZBQOSA-N 432.550 1.486 30 10 IDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 513790311 VUDLOOZDVQGYMO-RTBURBONSA-N 432.590 1.454 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)cc1 527520121 VGUSBWNHRHJVCG-UTKZUKDTSA-N 433.530 1.847 30 10 IDEE CCO[C@@H](C)c1noc(CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 532811576 OGOAXKOUCZTLKK-INIZCTEOSA-N 433.534 1.630 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 533781762 BEMMUYQKQLSTQA-WCRBZPEASA-N 435.576 1.920 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 549706366 QXKISVWDIQMHTH-HOTGVXAUSA-N 427.571 1.438 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCCC[C@@H]2CCO)CC1 585754852 GRFJYZXGZSHLAL-LJQANCHMSA-N 434.562 1.018 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cc1F 730137107 DCINZNRPSORJDE-KRWDZBQOSA-N 449.552 1.412 30 10 IDEE C#CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 734135240 QXUIXEAKHJUBSH-GUDVDZBRSA-N 432.542 1.425 30 10 IDEE Cn1c(=O)c2c(ncn2CCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n(C)c1=O 739589602 CLMBGWGLWZDBPJ-UHFFFAOYSA-N 448.508 1.740 30 10 IDEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751678800 LPCYKJXPNWDBMF-ZWKOTPCHSA-N 447.561 1.433 30 10 IDEE CN1C(=O)C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(Cl)c(F)c1 755061009 VUGGPVPEEUXMBH-XVUIRBQESA-N 449.870 1.577 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)CC2)n1 760620649 MNFIBPWKLUNOKU-UHFFFAOYSA-N 441.513 1.426 30 10 IDEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 774059035 SKMDEGZLOLWCBB-MAUKXSAKSA-N 441.575 1.559 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 774272794 MZRPXKOMJAHFLO-MRXNPFEDSA-N 437.541 1.303 30 10 IDEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 776136496 AXYGYDOJLMQDGS-WPCFGXOUSA-N 438.893 1.336 30 10 IDEE N#CCCN(C(=O)CCC(=O)NS(=O)(=O)c1cnn(CC2CC2)c1)c1ccccc1 781729274 WFNGXYMDBFJLQU-UHFFFAOYSA-N 429.502 1.825 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(CCNC(=O)OC)s2)c1 788039805 JMOBGZUHXDUGDX-UHFFFAOYSA-N 435.527 1.569 30 10 IDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 797232683 KBKFEGIINVQFFR-UHFFFAOYSA-N 444.488 1.778 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 818823542 HWEWJCQTBFSIRD-HZPDHXFCSA-N 448.520 1.601 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)cc1 1084175197 LMMXEDLBYJCGRB-UHFFFAOYSA-N 432.491 1.024 30 10 IDEE CN(C)CCNC(=O)Cn1cc(NC(=O)Cc2ccc(Br)cc2C#N)cn1 1136833404 OBHUPFCWLFIYFF-UHFFFAOYSA-N 433.310 1.376 30 10 IDEE CC(C)(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1(O)CCOCC1 1142571539 CQZDBFANRXBNMP-KRWDZBQOSA-N 428.489 1.447 30 10 IDEE CCOC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)c(F)c1 1154565551 FVHWLWFVNQUGFK-LJQANCHMSA-N 449.460 1.405 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1179521046 BEHJLVRALJNDEZ-UHFFFAOYSA-N 432.429 1.944 30 10 IDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(Cl)c1 1220233390 POCYAAAOAARIFF-UHFFFAOYSA-N 436.877 1.552 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1286388323 NJAVBZJHLMOANB-HXUWFJFHSA-N 443.573 1.660 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1286396018 TZSDKBDOSNHUNN-RBUKOAKNSA-N 437.610 1.878 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286414912 FVVVRFNHLFMMOY-SQNIBIBYSA-N 439.482 1.959 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1286420049 KVGKUUQSZBXJRS-RBUKOAKNSA-N 434.610 1.616 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1CCOC1 1286466920 LRPWYOZBUXRWCB-LJQANCHMSA-N 439.564 1.965 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1286495997 KPBIJXUWTDFLAM-FUHWJXTLSA-N 449.602 1.833 30 10 IDEE C#CCSCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@@]1(OCC)CCOC1 1286512829 OGVNTUWCQVDIID-OAQYLSRUSA-N 445.593 1.805 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1286715913 YDRHECVNZBSGPJ-UHFFFAOYSA-N 441.517 1.438 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)N1CCOCC1 1286719002 AVBSCOBZLMPCBS-HXUWFJFHSA-N 437.552 1.900 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1286785803 IZFUEDDSWHNBSP-UHFFFAOYSA-N 428.924 1.960 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286821656 RKYZPHGWHBJQEQ-GOSISDBHSA-N 425.599 1.236 30 10 IDEE C#CCN(CC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C 1292373564 WEENLJZXTPIWNJ-UHFFFAOYSA-N 428.533 1.712 30 10 IDEE C=CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)C(=O)OCC 1296237036 UEWRDLXAYDKQCH-LSDHHAIUSA-N 444.575 1.911 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCCOC 1300302564 BWOBTRZASZMMCV-KRWDZBQOSA-N 437.548 1.618 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](F)COC 1300510964 BLBTWIMBGHFJJF-KRWDZBQOSA-N 433.509 1.253 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1300556197 DXAQRKYXTLXSJN-RBUKOAKNSA-N 434.610 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)N1CCOCC1 1300570644 VOQCDQSLZOQDPP-UHFFFAOYSA-N 430.512 1.759 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)c1 1300639423 BRVXFOTUOVSIAV-UHFFFAOYSA-N 449.554 1.939 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N(C)C 1300658228 ZHJBJFADLIPGSN-UHFFFAOYSA-N 437.342 1.610 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1300991071 OZMDTMAYXAOFOC-ZWKOTPCHSA-N 441.598 1.829 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301229292 MTMSGJQPTNUBHA-IBGZPJMESA-N 427.553 1.934 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1301479243 XONPSKUJEYVMSU-JOCHJYFZSA-N 426.521 1.471 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1301499944 HLKBMJQYSJVREE-ACJLOTCBSA-N 431.459 1.614 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)C1 1301588006 ZTFFRUAQGOUERN-UHFFFAOYSA-N 442.545 1.229 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1301609854 PIVLTGIXCPHDJA-ZWKOTPCHSA-N 433.626 1.365 30 10 IDEE COCCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C#N)o2)CC1=O 1301897195 UIVBUYDYOIWLMS-UHFFFAOYSA-N 436.472 1.762 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1303556196 CNHWLAKADFFJRS-CQSZACIVSA-N 433.452 1.467 30 10 IDEE C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1CNC(=O)OC(C)(C)C 1304320253 KDOONKKGFMTKFC-ZIAGYGMSSA-N 436.534 1.344 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@]2(CCOC2)O1 1305153474 CQLRDBJFCGOGJE-MGPUTAFESA-N 431.518 1.246 30 10 IDEE CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306811902 QIGMPCRTSQVNQJ-ZZEZOPTASA-N 441.536 1.667 30 10 IDEE COC(=O)[C@@]1(N2CCN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)CCOC1 1307946328 WCZLRMWXNJNFBX-HTAPYJJXSA-N 446.573 1.827 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1313904826 UXRGOCYHUBOCGU-MRXNPFEDSA-N 429.525 1.857 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358965702 ZPBOBAVBQDHYPP-KRWDZBQOSA-N 442.570 1.704 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359310240 QZFNCHHUFVKCCY-QGZVFWFLSA-N 440.529 1.972 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(N3CCOCC3)ncn2)c1 1441633256 VBIDYXLGQDUEOA-HKOYGPOVSA-N 444.517 1.378 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1449781844 MPTNIUABYQSLJQ-XLIONFOSSA-N 448.928 1.792 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1Br 1459710856 AIETZZWPZGKVCY-AWEZNQCLSA-N 442.335 1.726 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 1464128254 JDJMOEKZNAZLEX-UHFFFAOYSA-N 428.489 1.491 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1 1467700183 OPSBVTLWBJRXBL-LJQANCHMSA-N 426.908 1.989 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1 1470161387 GWFWTXHWQDOUSB-ACJLOTCBSA-N 427.461 1.993 30 10 IDEE N#Cc1ccc(NC(=O)CCN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1473671554 GTULCLIDXOKDJP-UHFFFAOYSA-N 441.557 1.483 30 10 IDEE COc1cnc([C@@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)nc1O 1473864038 LGRJVHOAAMZCMY-HOTGVXAUSA-N 442.545 1.798 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1478932385 ZOKCIAITVFNAFE-JKSUJKDBSA-N 427.567 1.996 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1OC 1504184013 DNMYGQWZXUNSJV-RTWAWAEBSA-N 430.484 1.471 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cc1OC 1504202330 FZDVAONSPBXYKG-MRXNPFEDSA-N 442.520 1.996 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1507630436 YTVSIIYCOBAELJ-GOSISDBHSA-N 441.557 1.406 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1507641817 KUOGFWGBUJCHMU-QHCPKHFHSA-N 443.548 1.870 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 1507728553 ZPQRZCVVAZWPAL-DENIHFKCSA-N 442.608 1.997 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(c2nc(C)ns2)CC1 1508080427 AWYNSHWGPMNDGQ-UHFFFAOYSA-N 439.549 1.519 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1508089143 DRPYJAMEKYYFSB-CVEARBPZSA-N 439.582 1.266 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1508094699 ZMYGEIIRDQGATA-IBGZPJMESA-N 427.553 1.814 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CC)CCS(C)(=O)=O 1508099124 UVLLBIOPEADESI-NVXWUHKLSA-N 441.598 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508140265 HIVKKJVTAACZTA-UHFFFAOYSA-N 445.593 1.962 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1508422719 DWVITZIDKTXEQK-DOTOQJQBSA-N 445.545 1.986 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511700753 ZIFGEUSUUMRIFR-FCEUTLCFSA-N 438.536 1.901 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1517091508 HKJKAGJRCLZFHL-JOCHJYFZSA-N 426.521 1.973 30 10 IDEE CO[C@H](CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1517806974 ZKJHUGSNZDQYSX-LSDHHAIUSA-N 427.431 1.836 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)cc(OC)c1OC 1521186459 YLEIZTINLRLRMI-XJKSGUPXSA-N 427.461 1.570 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1539401002 PHCOAMKNORZWME-NQIIRXRSSA-N 434.537 1.559 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(SC)CCN(C)CC1 1539421042 PBJCDFKTATZSMV-UHFFFAOYSA-N 434.610 1.314 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539520171 OWDZLOATSWYBIY-INIZCTEOSA-N 427.640 1.999 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1539775078 IFOXNDYNUVAYPJ-GRDNDAEWSA-N 433.962 1.415 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1540200962 LZMKZKIBMVEAQC-LJQANCHMSA-N 428.537 1.701 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)NC)CC1 1540900488 XCWGATOYZQKSNR-UHFFFAOYSA-N 447.561 1.517 30 10 IDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1541968641 FNHBDXDDEUQVAZ-FDPIWHGQSA-N 431.468 1.826 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC[C@H]1C 1555168566 QQOXPGBQCZFYER-FHLIZLRMSA-N 437.504 1.666 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C 1556155036 COCBHQQCSHXWRT-NVXWUHKLSA-N 439.553 1.988 30 10 IDEE COC(=O)C1=NOC2(CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 1556175863 CFTIBNCUPINKMC-UHFFFAOYSA-N 433.505 1.947 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)c1 1556801009 SMEFRKUNGSLUBS-IBGZPJMESA-N 429.473 1.696 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 1557384587 SMMHNPBWEPYZIR-OAQYLSRUSA-N 436.493 1.982 30 10 IDEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1557661007 BRRUFQXMMXNSON-LJQANCHMSA-N 431.558 1.480 30 10 IDEE C#CCC1(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CCOCC1 1561938057 GWHHLIDSCXRWOA-UHFFFAOYSA-N 438.474 1.510 30 10 IDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)c1ccccc1 1570677781 NREHLCYGKHSWLC-OALUTQOASA-N 434.539 1.259 30 10 IDEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1587024840 ORLCFJAGPOHHFP-VCBZYWHSSA-N 432.546 1.460 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1588045398 KAFKYDNQCPSCKL-VFNWGFHPSA-N 445.520 1.189 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588059743 UBXKWYYHEREMQR-XXBNENTESA-N 442.585 1.937 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 1588075045 WBLILHGNNRVEMI-KRWDZBQOSA-N 428.518 1.137 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](CC)OC)CC1 1588761767 AWHMCBQCMYQTBW-GOSISDBHSA-N 431.562 1.529 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C2CC2)CC1 1588762391 HOSZCYPHWXRRAF-QFIPXVFZSA-N 443.573 1.265 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1589530562 WQBYSDOVLWMIEV-BJLQDIEVSA-N 444.580 1.953 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593878544 KKVWHIJGXKBFMI-MRXNPFEDSA-N 436.944 1.543 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595562113 NTPLUNCZMOPPLY-SFHVURJKSA-N 441.561 1.643 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1595569523 INXBSZUQFSJAAK-MRXNPFEDSA-N 426.521 1.041 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1611292078 JGQRAKBFSAPVGG-NVXWUHKLSA-N 433.534 1.892 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1611301861 BSXSUYNSEHZDOE-RHSMWYFYSA-N 427.484 1.466 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1613545809 OBFMJVXXOMLCSP-SFXXBHMCSA-N 441.536 1.712 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1615973711 VXRNAPWTPOLGEN-IAGOWNOFSA-N 436.513 1.319 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)C[C@H](C)C#N)CC1=O 1619927206 BVXJIHGNSDQSGA-CVEARBPZSA-N 440.504 1.765 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1620354653 BJFWSUUKPXQROC-RBUKOAKNSA-N 445.545 1.516 30 10 IDEE N#CCc1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 1625015129 LTFGRJPIWHIXGO-OAHLLOKOSA-N 426.454 1.723 30 10 IDEE CC(C)(C)NS(=O)(=O)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1625479798 JAUVQCXESOTCLR-UHFFFAOYSA-N 443.367 1.591 30 10 IDEE CC(C)N(CCO)CC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1627216825 JGJKLYYWCGZDJT-UHFFFAOYSA-N 436.578 1.433 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1628849757 NTIGDEYMSSCDGQ-ABAIWWIYSA-N 439.386 1.894 30 10 IDEE CN1CCC(O)(CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1629987670 SJYROPKWMHMHFS-LJQANCHMSA-N 428.533 1.965 30 10 IDEE Cc1cnc(C2(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CCOCC2)[nH]1 1636052005 XMBRKYUZNMQONW-CYBMUJFWSA-N 431.518 1.357 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([S@](C)(=N)=O)CC1 1637507344 ZLAIYCXIIVSFKY-HBIPHATFSA-N 441.579 1.020 30 10 IDEE Cc1c(C#N)c(=O)n(C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c(=O)n1C1CC1 1641346906 DWGSXZYTGSXVPV-ZHRRBRCNSA-N 430.505 1.941 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 1642404190 LVZCFQDUCNLGPV-HNNXBMFYSA-N 428.514 1.917 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2cc(O)n[nH]2)C1 1644261380 SNOPZUQGVHPUPC-HIFRSBDPSA-N 431.518 1.729 30 10 IDEE C=CCC1(O)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1644571090 VBMBMMNTIFMAJB-UHFFFAOYSA-N 425.489 1.858 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)C2=O)cc1 1644583625 QIPXJOXHHWGZSH-XXBNENTESA-N 436.468 1.526 30 10 IDEE Cc1cc(O)nc(N2CC[C@@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 1644721817 GAQAILNEMASOSZ-QGZVFWFLSA-N 429.521 1.836 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(S(=O)(=O)N4CCCCC4)CC3)CC2=O)cc1 1645246990 QOHHJALFQPNMDT-GOSISDBHSA-N 444.557 1.718 30 10 IDEE C#CC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(OCC)cc2)CC1 1646157555 WISCNNDAMUTORN-SFHVURJKSA-N 440.587 1.472 30 10 IDEE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1648001641 AGSUEOLCIHEFTP-IZCOPSDLSA-N 431.537 1.973 30 10 IDEE C=CCCC[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OC 1652012623 CWTWGJLRZHPTGS-IBGZPJMESA-N 437.562 1.461 30 10 IDEE C=CC[C@@H]1CCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1654348190 MNYOUXLYGOVQSC-QGZVFWFLSA-N 441.532 1.457 30 10 IDEE CCOC(=O)c1n[nH]c(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1654490078 APFWGYQMUWEWLT-UHFFFAOYSA-N 433.266 1.368 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 1661512372 AAPNRTFSXLGRGV-QGZVFWFLSA-N 444.538 1.540 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 1667080988 YHWMHPPVLRIEGZ-UHFFFAOYSA-N 430.505 1.766 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[C@H]1N1CCN(C)CC1 1668051448 BUDDLRWSFAOZIU-WMLDXEAASA-N 441.395 1.967 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1684869333 LIPQUXONEIGMBO-UHFFFAOYSA-N 433.361 1.574 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689979820 HZOKCVWPDMBSBD-RXAIFQJESA-N 426.608 1.504 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689988956 ZJGPTABLUZNNAB-PKOBYXMFSA-N 445.593 1.037 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCOC(F)F)CC1 1690113219 CXZGEMRJNKONOR-FQEVSTJZSA-N 427.496 1.703 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 1690119659 NIAHNCJDFZLEPS-UHFFFAOYSA-N 438.557 1.397 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1)c1ccccc1 1690321974 PXMGMIKWXBADBK-LAUBAEHRSA-N 447.561 1.597 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1690673303 STJVBJUKKCMKAX-SFHVURJKSA-N 439.495 1.412 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1690995990 SEEHSMUAJITLLP-WMLDXEAASA-N 444.561 1.859 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1693644506 BCJMEFGAMDSWCL-SIFCLUCFSA-N 430.534 1.549 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1696474319 DDNDOAXHJNAUDY-SFHVURJKSA-N 449.533 1.015 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COCCO1 1697627713 DZCROBONLCFFTM-JKSUJKDBSA-N 431.518 1.723 30 10 IDEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)CC1 1697941778 QPSZUMLRPFLOSE-RTBURBONSA-N 439.516 1.994 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705563889 HOWJVBUHQLUPQO-QZTJIDSGSA-N 430.530 1.296 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1 1705623427 RFDZIYMVPHRNDS-OAQYLSRUSA-N 448.545 1.240 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCN2CCOCC2)CC1 1705648755 YGYAYTDSXKSBEH-UHFFFAOYSA-N 428.581 1.624 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(C)nn(C)c2C)CC1 1705653085 YLINKKQKQQQKOO-LJQANCHMSA-N 425.537 1.494 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1N1CCOCC1 1705883300 CSGDWTXUMMKVAT-UHFFFAOYSA-N 438.536 1.597 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1705893786 GHLOCVAOCNQRES-UHFFFAOYSA-N 440.552 1.417 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1705896925 BYJUZQRTBHKDPR-SZNDQCEHSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705898352 JCKFRHZBEUFBAK-LJQANCHMSA-N 437.504 1.358 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1 1705912647 PQECSLLBJJGNCP-INIZCTEOSA-N 449.577 1.710 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708288819 DRPSHHNEZFOQGU-JLXAXMFCSA-N 443.552 1.813 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N(C)C[C@H](C)C#N)c1 1711417319 IEIFBUZEFWRYJR-MRXNPFEDSA-N 439.545 1.816 30 10 IDEE COCCn1cc(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)cn1 1712465773 AHKYHDMUKXQAJE-LJQANCHMSA-N 437.504 1.497 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722276698 IUUIHKXZLGMJHG-OPAMFIHVSA-N 449.552 1.682 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722294519 XHJUDJOYHFOLGC-BTYIYWSLSA-N 441.513 1.608 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1722358845 MKJDKCVRPNXCEE-SFHVURJKSA-N 447.561 1.497 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1722360590 VHUOMYXPGVWHJA-SFHVURJKSA-N 441.513 1.925 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1722380863 ANXQSOGDZBDBGN-SFHVURJKSA-N 440.548 1.768 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(O)c1 1722419093 NLJADKXOYFBYCF-UHFFFAOYSA-N 436.472 1.774 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1722461028 LHCSSMUZQUXQST-MRXNPFEDSA-N 441.623 1.604 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1722649421 QBJAPXHSIRLZEF-QGZVFWFLSA-N 430.534 1.363 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1722697522 KOFRVZXMFDQOHS-UHFFFAOYSA-N 448.506 1.923 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1722730922 HPQZIYAPUCWZNY-INIZCTEOSA-N 435.550 1.728 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1728196100 TWZDCTMOGRIQRU-GOSISDBHSA-N 438.536 1.292 30 10 IDEE CCN(CC)C(=O)CCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1728354171 SLYJKJXFRSJUPW-GCJKJVERSA-N 448.568 1.696 30 10 IDEE C#CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740566736 BQEUNVSJWCKXPX-VQTJNVASSA-N 434.544 1.771 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1740624113 FVAFJZGGRLOOFR-QGZVFWFLSA-N 445.574 1.239 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1740655891 GAJCANOMRVWVKB-VAMGGRTRSA-N 431.606 1.764 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCN(CC)C2)CC1 1740700527 VIWGWSGBAWMWJS-FQEVSTJZSA-N 438.576 1.963 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(C)CN(C)C2=O)CC1 1740700706 ZNDGZLPUJBSVLU-XMMPIXPASA-N 436.560 1.653 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1740781271 ZHQOFCMOVGGLFA-KDURUIRLSA-N 438.580 1.938 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnccn2)CC1 1740796031 LSMQTVSOLYNYGC-UHFFFAOYSA-N 426.525 1.110 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740846381 WQHSWHXWHJYJSY-UHFFFAOYSA-N 426.569 1.682 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740862562 XRQGBAUJVDUECS-GOSISDBHSA-N 430.553 1.661 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1740917915 BLAQSJPWQJZWLL-IBGZPJMESA-N 438.532 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1740992171 CFBGTZXIJIBFKH-GOSISDBHSA-N 445.589 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1740992223 NBUOMZMZDDIQHC-GOSISDBHSA-N 425.599 1.236 30 10 IDEE CC(C)c1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741360212 GEFCCJXEMINABK-RWNPKEDZSA-N 427.553 1.993 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1741876432 DEAQTNXBUDHNOQ-GAJHUEQPSA-N 437.548 1.487 30 10 IDEE C[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1742975223 ASQKUEHRSCJFKE-OLMNPRSZSA-N 430.534 1.700 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc2c(c1)C(=O)NCC2 1748800018 YNNRNHKBUNEEIQ-UHFFFAOYSA-N 434.525 1.673 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1748814323 DEDLJGTVYRCESW-DOXZYTNZSA-N 437.591 1.142 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1748826290 QPRVGPMXMYOPDI-FOIQADDNSA-N 449.964 1.522 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1749065006 QWEVNLHCMBHGNE-WMZHIEFXSA-N 427.597 1.495 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749198277 BUGZSHIMILGOOW-HNNXBMFYSA-N 427.538 1.742 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1749222939 NZKBNQQIYSXBIL-UHFFFAOYSA-N 426.525 1.890 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749256181 WWDBLRCSTWWGEC-HOCLYGCPSA-N 435.937 1.816 30 10 IDEE COCCCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749667843 UUVPIWVKJYGGCS-UHFFFAOYSA-N 437.552 1.950 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749676270 KLKVRAVEWCCIDV-QGZVFWFLSA-N 436.520 1.717 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1749677719 IREMLJGANRDWKR-UGSOOPFHSA-N 441.363 1.723 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749702554 ODQVHHDTXGKIGP-UXHICEINSA-N 431.585 1.665 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749721649 QCVKBCWJYRBRRF-HZPDHXFCSA-N 425.555 1.022 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1750194738 KAWPOUSMIJZAML-GOSISDBHSA-N 426.502 1.790 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCSCC2)CCO1 1750386611 NGCBPOFEOHJJHV-KRWDZBQOSA-N 429.506 1.631 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@]1(N2CCOCC2)CCSC1 1760237075 UWGQLYDRBWXJLI-JOCHJYFZSA-N 426.590 1.931 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN2CCOCC2)CC1 1760267911 FSKWWPWWKDWFAF-SFHVURJKSA-N 439.564 1.207 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(C)COCCO2)CC1 1760271608 DIZXYKXJHALWPG-HSZRJFAPSA-N 438.532 1.035 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1760279940 BUAGPPJJJZOZAP-QGZVFWFLSA-N 449.606 1.055 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@H]1CCCC[C@@H]1C 1760464463 IBRYKVMWJSFPHK-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1760495377 MOMADALSRJCKEM-RBUKOAKNSA-N 437.610 1.715 30 10 IDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1760515822 RXDWZGJVUJZORD-UHFFFAOYSA-N 426.521 1.179 30 10 IDEE CC(C)(C)N1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1760770457 GMFJEEBHOQPXLH-ZZEZOPTASA-N 438.536 1.720 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCS(C)(=O)=O)cs1 1762291799 DHOLJNLSXRALGZ-KRWDZBQOSA-N 449.606 1.245 30 10 IDEE Cc1ncc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)s1 1762328496 CRWAAOUVKPGSFU-LLVKDONJSA-N 435.535 1.803 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763817826 MGAHUHILUFDLLJ-NCKBZDCCSA-N 444.536 1.702 30 10 IDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1771027935 ZKDWVXJXKIHCGI-JKSUJKDBSA-N 439.524 1.033 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)cn1 1771122496 DKFNGXJELXBHAA-LJQANCHMSA-N 435.488 1.707 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1772842612 YZSWXGDJSWLRBA-HZPDHXFCSA-N 429.525 1.448 30 10 IDEE N#CC1CCN(C2CCN(C(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CC2)CC1 1850718764 UCWCJRHGMWOSEO-UHFFFAOYSA-N 436.560 1.991 30 10 IDEE CC(C)N(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1854067825 AVJUWUQMTJSHFK-VQTJNVASSA-N 431.558 1.763 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)C3CCCC3)C(=O)C2)C1 1854321772 QCNLMAAVRAUEDL-GOSISDBHSA-N 430.530 1.182 30 10 IDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@H](COC(F)F)C3)ccc21 1855568743 WLUFGMPUNQZAOO-LBPRGKRZSA-N 427.429 1.656 30 10 IDEE CS(=O)(=O)C1CCN(C[C@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1856948373 OIPVOJSOKNBQCH-LJQANCHMSA-N 431.558 1.765 30 10 IDEE N#Cc1ccccc1NC(=O)CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O 1860905514 BIUPGLDFVJPODR-UHFFFAOYSA-N 433.384 1.603 30 10 IDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564015 RRDYGCFUUZMGPW-UHFFFAOYSA-N 448.524 1.182 30 10 IDEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccccn2)cc1OC 1874219186 YORQHOKQWDEBKB-FSJBWODESA-N 426.502 1.935 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(C(=O)O)cc1 1874430946 GATRQAJVWPEOCI-UFFVCSGVSA-N 432.506 1.455 30 10 IDEE C[C@@H](C#CC(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902018764 ZGICSNBZUXTTKE-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE C#CCOCCOCCNC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2015732022 ADLGECPGCRXGOR-FQEVSTJZSA-N 433.549 1.794 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC(=NO)C1 2108230466 ZCJBYWXJENWWMJ-BFUOFWGJSA-N 425.482 1.951 30 10 IDEE C=C(CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)B1OC(C)(C)C(C)(C)O1 2247986575 XFLDMMVORYHDJO-HNNXBMFYSA-N 441.359 1.949 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602524 UIJODFRYPMYHJN-UONOGXRCSA-N 434.346 1.942 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2255653393 IHRNAQRTSMKDBG-AGGWBTHJSA-N 432.330 1.314 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255838580 IDBHCIZKFKFLQX-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE CC1(C)OB(c2nscc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255842348 QCDRBIMJMJZOAA-QFIPXVFZSA-N 443.378 1.809 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255858555 ROZURLZIQNIZJZ-OLZOCXBDSA-N 435.334 1.147 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256621768 YWAHUEAJLXSVHJ-FZMZJTMJSA-N 439.293 1.733 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267151796 KUVKBLIIHAJAIN-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CNCCN1Cc1ccccc1 2267574105 QXHGTCQJEHCMPZ-HXUWFJFHSA-N 438.381 1.528 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267605281 LSFNHZSCRIBPDI-ZBFHGGJFSA-N 444.341 1.857 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2267875633 HSNQBTCHVKKURB-ZWKOTPCHSA-N 439.321 1.880 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268717661 TYHCEQYMFJJEEB-QGZVFWFLSA-N 448.369 1.778 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)n1C 2315588496 CUVFQYVJIULCOW-ZHACJKMWSA-N 434.346 1.838 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc3c(c2)OCCO3)CC1=O 2329013378 FYFXCCVXHGLAAP-CQSZACIVSA-N 444.517 1.233 30 10 IDEE CN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 8607742 UTNGLPHKXSCEEA-UHFFFAOYSA-N 434.861 1.802 30 10 IDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCCc3ccccc3)n2N)cn1 20920650 HUXDKGMRLUIFNG-LSHDLFTRSA-N 427.538 1.666 30 10 IDEE Cn1ncc(C#N)c1NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1 170550683 KLALDQGHZDEGDF-UHFFFAOYSA-N 435.465 1.931 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H](N4C6)[C@]2(O)[C@@H](OC(C)=O)[C@@H]1[C@@H](O)[C@H]73 257501923 OGNUSOJAYIHLNS-MLRSOOINSA-N 429.513 1.021 30 10 IDEE N#Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)s1 435471445 BOTKRYDVXGUKKX-UHFFFAOYSA-N 429.501 1.147 30 10 IDEE CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)C1 471214495 BGAYFDAUDSVGIT-QUCCMNQESA-N 447.605 1.053 30 10 IDEE Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)Nc1nc2c(cc1C#N)CCCC2 484176128 KRVAZOZLKDPPSH-UHFFFAOYSA-N 428.460 1.649 30 10 IDEE C[C@@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 502690273 AIHNBCWSILMOQZ-QZTJIDSGSA-N 448.527 1.854 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 503625395 NGYMEBQAOLOSRT-UHFFFAOYSA-N 428.186 1.397 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)NC1CCCC1 503629127 OVQXYDIALBDOOK-UHFFFAOYSA-N 434.518 1.114 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 508791346 AOJQWYFCYHKENW-AEFFLSMTSA-N 435.525 1.930 30 10 IDEE N#Cc1ccc(N2CC[C@@H](C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)C2)c(F)c1 517161419 VQFQJRNSIXXMHU-LJQANCHMSA-N 427.524 1.584 30 10 IDEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 543185406 KWLOQKXEHNYBHA-KRWDZBQOSA-N 444.469 1.780 30 10 IDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cn1 564262510 YOGPSOPLEKGCCK-UHFFFAOYSA-N 436.453 1.567 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2C)C1 577889670 JJMSUTUAUIRPAT-RBUKOAKNSA-N 447.561 1.683 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccccc1C#N 604000182 UXMZHMGSWRLNKA-UHFFFAOYSA-N 432.530 1.946 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 604195053 FCJDLNDNZFCUFD-UHFFFAOYSA-N 429.565 1.291 30 10 IDEE N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cc1 609121532 CYYDXXWYMGMPBA-IBGZPJMESA-N 449.492 1.068 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 609200340 XHAHOUBAPYQPOD-UHFFFAOYSA-N 440.525 1.140 30 10 IDEE C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609359157 ROBQJRNRPTWEJW-QZTJIDSGSA-N 433.578 1.837 30 10 IDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 619835875 DRZFULWQCIDRAY-SFHVURJKSA-N 435.488 1.778 30 10 IDEE CSCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669326 KUYLQXDNJNZHTP-UHFFFAOYSA-N 441.582 1.338 30 10 IDEE Cc1ccc(-c2nnc(S)n2CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731862230 ASIIKGJEXRHLAQ-HTXNQAPBSA-N 426.502 1.575 30 10 IDEE C=CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn(CCC)c2)c1=O 735068413 ADXNRMMHZVVTMG-UHFFFAOYSA-N 435.557 1.572 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)NCc3ccc(OC)c(C#N)c3)cc2S1(=O)=O 747080718 MDDSXCOXKNWUSM-UHFFFAOYSA-N 429.454 1.288 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2OC)C1 760311561 QKLRUXKWPWBWMB-XJKSGUPXSA-N 433.534 1.567 30 10 IDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 762206245 JJBUIZCQPYYCGI-SFHVURJKSA-N 433.578 1.037 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 765737759 ZEEQFWIPOOVQDI-HKOYGPOVSA-N 444.517 1.538 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767871707 HMNODSHPIBPBMM-CQSZACIVSA-N 430.555 1.107 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767882222 RYCRQZHCQIPWJQ-UHFFFAOYSA-N 428.514 1.770 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 769637450 GOVVDSXLPLREML-HNNXBMFYSA-N 446.616 1.264 30 10 IDEE C#CCN(C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@H]1CCS(=O)(=O)C1 774034847 IPFZDWMDMXCDET-SFHVURJKSA-N 439.497 1.199 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 779189600 SWMXFZGJQPTEDZ-LJQANCHMSA-N 445.497 1.836 30 10 IDEE CCc1cnccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 781262500 QHJKACZPLJUZHJ-UHFFFAOYSA-N 442.497 1.206 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 788818890 RPWNWPGRARSHCE-NJYVYQBISA-N 440.544 1.857 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 790627618 JYQXHEVKGJLOHI-QGZVFWFLSA-N 429.882 1.954 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCC2(C)CC2)C1=O 794443017 XIFFFRSLWUOEJP-KRWDZBQOSA-N 445.589 1.975 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794585712 VLIFEWDPCMYDMW-KRWDZBQOSA-N 434.521 1.440 30 10 IDEE C[C@@H](OCC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1nccn1C 805894527 KRXSTPWKNUSZDJ-SNVBAGLBSA-N 427.280 1.637 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812308507 QAZYKXJSJCFBGV-DLBZAZTESA-N 444.513 1.480 30 10 IDEE Cn1cc(I)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1127911695 LEUGVAXLSITVQW-AWEZNQCLSA-N 449.252 1.822 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)C1=O 1133976218 BDKVAIIQHGCZEG-LBPRGKRZSA-N 436.266 1.270 30 10 IDEE CON(C)C[C@H](O)Cn1cc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cn1 1137576261 NTVGWEIQEZNDON-SFHVURJKSA-N 444.341 1.597 30 10 IDEE C[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1154180567 IUTGOSFADZAMFI-LBPRGKRZSA-N 426.336 1.793 30 10 IDEE N#Cc1cncc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)c1 1156108337 YKSQOGPECGXCIG-MRXNPFEDSA-N 434.905 1.994 30 10 IDEE C#CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1178207252 GYARLGIKSLWABI-KRWDZBQOSA-N 439.603 1.501 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NCCS(=O)(=O)N2CCCC2)cc1Br 1213865330 CHYSHUWNPDSZKK-UHFFFAOYSA-N 440.316 1.164 30 10 IDEE C#CCN(C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 1264995936 XWKYCZZLSOLVOU-IFMALSPDSA-N 436.533 1.903 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1286389374 IUVPKAZUTPOEHG-KRWDZBQOSA-N 431.562 1.826 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCCN2c2cnn(C)c2)n1 1286469652 KYLGKIMUZLFHQF-HXUWFJFHSA-N 437.552 1.472 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNC(=O)C(C)C)CC1 1286473078 HPMZMKNXSORSSM-UHFFFAOYSA-N 440.548 1.490 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCc2ccco2)CC1 1286475076 WPCQMRFPFXADKR-UHFFFAOYSA-N 434.500 1.618 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=C)Cl)CC1 1286490602 NKLMNMDGHURWLW-UHFFFAOYSA-N 430.896 1.724 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1286504123 INFAMBCZGHUTTE-MRXNPFEDSA-N 437.529 1.675 30 10 IDEE C=CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1286677920 MJMBYUARSNRCOZ-JQHSSLGASA-N 446.577 1.560 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCOC1 1286787676 IIGCZAGXEPCWMQ-QGZVFWFLSA-N 448.568 1.920 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 1286809647 UQUFGIHZALWDOH-INIZCTEOSA-N 432.550 1.874 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286809914 MKHCNVKDHGCFNL-KZNAEPCWSA-N 439.582 1.725 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)CC)C1 1286813048 WADRULIKUDNWQF-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286969296 OWHZURMWVAUJKT-PBHICJAKSA-N 440.533 1.609 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)(F)F 1287002583 KVARGZWGRCIPAL-UHFFFAOYSA-N 437.426 1.789 30 10 IDEE N#C[C@@]12CN(C(=O)c3ncc(Br)cc3Br)C[C@H]1CS(=O)(=O)C2 1289203295 DIGVOTDPADCWPF-SDBXPKJASA-N 449.124 1.617 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCNC(=O)c1ccccc1F 1294209324 UCNXHWPTESMRKK-UHFFFAOYSA-N 446.504 1.581 30 10 IDEE C#CC[C@@]1(C(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)CCCN1C(=O)OC(C)(C)C 1295120468 ZJCAYMRFTISZQK-UWJYYQICSA-N 435.525 1.469 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1297786765 AXHSTRMKVJSNCS-LJQANCHMSA-N 447.496 1.110 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCS(=O)(=O)C1 1300604643 OAAUQLHLIXHAAS-CYBMUJFWSA-N 440.367 1.940 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1300631296 PHWMZCHDJIVNBZ-HNNXBMFYSA-N 441.554 1.091 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCNC(C)=O)CC1 1300728822 GOOGXADULWMYJI-UHFFFAOYSA-N 436.560 1.555 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300956820 HMKJHZAOBQUCBW-UHFFFAOYSA-N 436.564 1.739 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301222936 JNPCTAGDHHZYJK-CVEARBPZSA-N 425.555 1.861 30 10 IDEE C=CCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1301249038 OLCVHQIPCPVLOA-FQEVSTJZSA-N 438.532 1.981 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)NCC)CC1 1301484291 DITXZGXEBPVDFC-UHFFFAOYSA-N 437.504 1.845 30 10 IDEE CC(C)CNC1(CO)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1301532135 JCTBCDKAZGHBEF-LJQANCHMSA-N 441.532 1.362 30 10 IDEE C=CCSCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OCC)CCOC1 1301621007 OLIAJEGPITVIPF-OAQYLSRUSA-N 435.594 1.956 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1302993648 FVCLCZJUOLCJES-INIZCTEOSA-N 432.431 1.479 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1304843776 ZJYAHFLPJGSADE-JJRVBVJISA-N 434.880 1.130 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H](C)O1 1305153118 BFWNRDVRRFSXGR-IYBDPMFKSA-N 433.534 1.492 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1305791464 NLEPCPYLAZCYGF-GDBMZVCRSA-N 449.556 1.838 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(CCO)(CCO)CC2)CC1 1307999087 DGYBEJWCQMEYBN-NRFANRHFSA-N 432.540 1.382 30 10 IDEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1312002717 FLSTXQPHSMKGFP-QGZVFWFLSA-N 442.516 1.718 30 10 IDEE CN(CC1CC(F)C1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314782411 NKBCAPCKUOOBJY-HTXNQAPBSA-N 445.499 1.225 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1315962528 FGIYXFAHDGTMTR-QFIPXVFZSA-N 426.521 1.709 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCNC(C)=O)Cc1ccsc1 1358930392 USUACLVNTUAGGB-SFHVURJKSA-N 449.602 1.798 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358955409 LIWHXQDZGWMTKR-IBGZPJMESA-N 441.557 1.498 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1358976835 STKWJDQWXVGWST-UHFFFAOYSA-N 445.527 1.778 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN(C)CC(F)(F)F 1358982020 GPHDLWAIFUGDJD-UHFFFAOYSA-N 438.479 1.837 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1358994255 IOLFLIKHYXPGPV-SFHVURJKSA-N 426.546 1.152 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@@H]1C 1359006858 LKFWATBJIIVCBK-QRWLVFNGSA-N 432.550 1.238 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCCC2)CC1 1359030899 JUJOIGKHJTWRLP-UHFFFAOYSA-N 432.370 1.887 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)OC)CC1 1359047719 QVBLTRIZMDKTNE-INIZCTEOSA-N 429.496 1.997 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359076495 CXACNDIXDOWFTQ-IHRRRGAJSA-N 447.403 1.470 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 1359297877 FTLRTJCDLDOLET-UHFFFAOYSA-N 447.543 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC=C)C1CC1 1359298174 PSXAJAFDUFHFEM-UHFFFAOYSA-N 429.550 1.695 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(=O)OC)C1 1359300414 BDEWRGWPLBPOEA-CRAIPNDOSA-N 441.488 1.482 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359302520 JYMBWKKVYLYOFR-UHFFFAOYSA-N 436.438 1.914 30 10 IDEE C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1360575422 WBDIWQSRWYEFIA-GOSISDBHSA-N 431.548 1.807 30 10 IDEE CON=CC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1440489887 QXCIRSXRRGFCGL-UHFFFAOYSA-N 448.501 1.903 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1452948156 VHJJDQAOIIHRFM-IRXDYDNUSA-N 439.534 1.378 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1465834732 SYHYPVPOTIOOQF-UHFFFAOYSA-N 448.928 1.839 30 10 IDEE C#CCN(C(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1479605554 RELWXZJAZFMUCG-ZDUSSCGKSA-N 438.449 1.312 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1499162039 DXEBRQHJKPJMPY-RTBURBONSA-N 438.580 1.933 30 10 IDEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCCO 1504391179 UZAGLUDNKRALLP-GOSISDBHSA-N 426.521 1.529 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1507536710 DMNUGGPBFLAGRY-VQIMIIECSA-N 447.561 1.264 30 10 IDEE C#CCCCn1c(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nnc1C(C)(C)C 1507598413 DRSHAAHVKZKFAZ-UHFFFAOYSA-N 428.581 1.929 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1507600311 FAZHUOOOSGNOGO-LBPRGKRZSA-N 446.455 1.342 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCOC[C@H]1C 1507617516 VERAHGUXONFWND-MSOLQXFVSA-N 448.568 1.377 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507628324 NKLXYFJNRKPOPM-APWZRJJASA-N 426.546 1.394 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1507741112 LLLKXQRTXLXCQO-UHFFFAOYSA-N 430.578 1.472 30 10 IDEE C=CCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1508066624 UVFRTQPIDBRJGK-VGSWGCGISA-N 443.552 1.902 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)[C@@H]1CC 1508090324 HBVMCYQQOBSASQ-KRWDZBQOSA-N 426.521 1.491 30 10 IDEE CC(C)[C@H]1OCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1510217379 HADOBVCSQQNDSY-MWDXBVQZSA-N 440.570 1.068 30 10 IDEE Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1510531185 CUNYRIXRCNOKPO-MRCUWXFGSA-N 437.504 1.805 30 10 IDEE CSCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1520559795 OLEJZSSOXRUHCJ-INIZCTEOSA-N 430.582 1.775 30 10 IDEE N#C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(OCc2ccccc2)cc1 1537600988 ALIJRJGMHGDKDT-RTBURBONSA-N 432.440 1.960 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1539368630 ABVGVSKAEKNNBT-INIZCTEOSA-N 427.571 1.133 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540004760 FYBDYLLAFVBZKD-OALUTQOASA-N 436.626 1.363 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540869367 KMJRRVMLWZDAAV-QFBILLFUSA-N 425.537 1.108 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540898981 AKDYCNMNNOLVPG-SJLPKXTDSA-N 449.577 1.604 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C2CC2)ccc1F 1541945363 FYYZXWKSSHVKNS-DYVFJYSZSA-N 448.524 1.682 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccc(O)cc3O2)cc1 1544463324 VTFUXVWDHFOOSN-HSDQKXRGSA-N 431.470 1.984 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1546851013 AVULLYFOWFSQFW-VXKWHMMOSA-N 426.521 1.982 30 10 IDEE CN(C)CCOCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1552881212 VVJXFFLAQGAFSX-UHFFFAOYSA-N 426.569 1.747 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@H]1CCOC1 1555742567 IDPANXLDEMEWNF-OEMYIYORSA-N 437.516 1.887 30 10 IDEE N#Cc1cn(CCNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c(=O)nc1O 1557599506 APDOJLPJCWIVSP-UHFFFAOYSA-N 435.778 1.422 30 10 IDEE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4ccc(C#N)cc4)CC3)CC2)cc1 1560077537 PDGMXLOPDJMEPB-DEOSSOPVSA-N 435.572 1.872 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 1561107451 HMAKZEOZAAOIFA-UHFFFAOYSA-N 431.445 1.881 30 10 IDEE N#Cc1nc(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)ccc1Br 1563137613 CVTLVUMBUPWUDP-UHFFFAOYSA-N 428.312 1.794 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)CC2)c1C#N 1569887207 CKEBLOZPRSVBKM-MRXNPFEDSA-N 436.582 1.817 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCCC1 1587909555 NMHHFPHWSNLXPQ-IAGOWNOFSA-N 434.566 1.778 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1588029064 DACCBIPZROTBST-SJORKVTESA-N 430.578 1.661 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588075007 VMCIRBWVAJTSSO-GVDBMIGSSA-N 437.566 1.061 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@H](C)CCC 1589216649 UIIOKPAAVCTOBB-CBGDNZLLSA-N 435.594 1.725 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1593747426 VZEMTVCJTGTVHN-MRXNPFEDSA-N 434.566 1.675 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1593833875 FLRNYLXZXUGEFE-HNNXBMFYSA-N 435.937 1.912 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1594961562 CGBASBWKXRDMOA-JKSUJKDBSA-N 427.571 1.963 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(-n3cncn3)c2)C1 1595664780 JONFDXUVNABGFJ-IBGZPJMESA-N 436.520 1.827 30 10 IDEE CN(C)[C@H](CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1597436032 DYBBMUKAOXYVOI-LSDHHAIUSA-N 425.411 1.762 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1cccnc1 1608571796 KERHWUFKZYDYFE-UHFFFAOYSA-N 445.531 1.647 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc([C@@H]4CCOC4)n[nH]3)C2)C1 1611592706 VGIBTUUZSQIWNP-NSOWYUBSSA-N 430.509 1.712 30 10 IDEE C=CCNC(=O)NC(=O)Cn1cnc2c(I)cc(F)cc2c1=O 1613878806 QJNIGTGZHXHKDC-UHFFFAOYSA-N 430.177 1.152 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CCOCC1)CC(=O)OC 1615396197 BPDLHILECOAEGX-OAHLLOKOSA-N 433.933 1.356 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1617357195 OTNKJVBSLDALKB-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)c1 1618616005 ZIFJWJZOBCBVHN-CRAIPNDOSA-N 428.493 1.139 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H]3CCC[C@H]3C#N)CC2)cc1 1620488037 MWDPNZBYXXPCLC-AZUAARDMSA-N 432.546 1.346 30 10 IDEE CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCN(c3ccsc3C#N)CC2)c1 1622349414 ABBOKTVTUQQNAE-UHFFFAOYSA-N 425.557 1.675 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1624729261 XAGXNOHYXDSORK-UHFFFAOYSA-N 438.507 1.799 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C(C)=O)[C@@H]3C[C@H]3C)cc2)CC1 1625066614 LWYWXPADMRIQQF-DNVCBOLYSA-N 433.534 1.065 30 10 IDEE C#CCN(CC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1)C(=O)OC(C)(C)C 1625794594 MDIXDSVXHAICKT-UHFFFAOYSA-N 436.597 1.799 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)s1 1626821661 IMEATUXXBLFSGR-KRWDZBQOSA-N 435.527 1.966 30 10 IDEE C=CCn1cc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)nn1 1626977532 XASWTMMPTOFAKX-IBGZPJMESA-N 449.533 1.245 30 10 IDEE CC(C)(CO)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1627638146 HUTZUSYCMMGXBX-LJQANCHMSA-N 430.530 1.776 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1cnc2c(Cl)cnn2c1 1635562115 PKZSTHRJKDZXDD-ZDUSSCGKSA-N 425.884 1.507 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 1636190779 BDSORIMDPWEBPJ-QGZVFWFLSA-N 431.489 1.272 30 10 IDEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1(CNC(=O)OC(C)(C)C)CCOCC1 1636243565 GEMXJJZCKNHBHW-ZCXUNETKSA-N 436.509 1.435 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(O)(CN4CCOCC4)CC3)CC2=O)cc1Cl 1637086997 FTVDHYSBMPGPPX-KRWDZBQOSA-N 446.935 1.250 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C(=O)C1 1638906575 WYFMFRJPRQCJEH-QGZVFWFLSA-N 442.520 1.435 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1640794095 IMUGFJNCKIQTLA-JKSUJKDBSA-N 430.530 1.481 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCC(n2nncc2I)CC1 1641462768 HJGHTEYYORKIDX-UHFFFAOYSA-N 436.253 1.704 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1643854658 QLXKHQGNYWQBKL-IFGOMPEGSA-N 438.571 1.252 30 10 IDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)C1CCOCC1 1645988305 YJZPEWLDBSROMD-INIZCTEOSA-N 438.506 1.238 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)s1 1650791319 DELKZXNUXZPNRN-DMTCVQMQSA-N 425.919 1.808 30 10 IDEE N#CCCC[C@@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 1681498070 SACRHRQKCGHIQT-GOSISDBHSA-N 425.489 1.424 30 10 IDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689876939 MVKPYFWDZSKSHX-MRXNPFEDSA-N 432.525 1.326 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689986395 OUMIGVWFPFVPCE-HOTGVXAUSA-N 436.509 1.565 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1689990627 QSTMAXOPBIWZID-CVEARBPZSA-N 435.575 1.612 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689994109 RFBRQWYLDFYIGV-IBGZPJMESA-N 447.605 1.696 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccc(-n2cncn2)c1 1690104747 HSQAGKYVQWKQFZ-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OC)CC1 1690146382 MJASJVYGSPZYMF-LJQANCHMSA-N 438.532 1.590 30 10 IDEE C#CCSCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1690165498 AGTBZBCNSFPBSD-GOSISDBHSA-N 436.541 1.811 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690299617 ZIHCVNBLNBTZFD-UHFFFAOYSA-N 426.521 1.842 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690697016 NHUSLJVRAQLMRP-QZTJIDSGSA-N 446.577 1.854 30 10 IDEE CC[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694867351 KWOCXKBCWGGGDN-FVGNFYTDSA-N 441.536 1.553 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1696619551 XZGGFNBQQLOEAH-DENIHFKCSA-N 433.576 1.888 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1705558807 ITWVSTAHIIHKSJ-QGZVFWFLSA-N 433.578 1.721 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705567861 BDCVFEIXIZCSOB-GOSISDBHSA-N 432.546 1.829 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705569066 CSCVPYBANPRQMD-HPGBDJQBSA-N 438.619 1.549 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1705573360 FIKGRKXQXKZKQI-CQSZACIVSA-N 436.925 1.089 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(F)c2)CC1 1705632334 MOGWIMNJOGINEW-UHFFFAOYSA-N 426.496 1.487 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705700046 OBXSUESCXBQARU-HBFSDRIKSA-N 444.580 1.905 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1705735326 NRRFHXQRSVDHIF-GOSISDBHSA-N 429.525 1.441 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1705843348 CSQNMWOWNQVTBI-HUUCEWRRSA-N 427.571 1.963 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705900103 QJFAFQZKCXQQGG-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705903539 XRHRCMRJWFFGDA-KRWDZBQOSA-N 430.553 1.456 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1711203346 BJOPMLWUYYDMMK-UHFFFAOYSA-N 428.522 1.369 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1712697231 KZGWOXVFXXSADS-UHFFFAOYSA-N 442.501 1.714 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722316303 AEVWJVBVKJVKBJ-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722325631 AYFAAGOQDJTERI-HZPDHXFCSA-N 440.479 1.118 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722333130 SFYPYKMRGYRUML-QGZVFWFLSA-N 429.546 1.626 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCOCC1 1722379035 KWAOJVRHFRBOLW-UHFFFAOYSA-N 426.546 1.738 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1722381743 BAFAFHGWBWKCDC-FQEVSTJZSA-N 448.552 1.681 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)[C@H](C)CC)CC1 1722432933 JHAZGSNFKXBYAP-OFNKIYASSA-N 432.613 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C(F)(F)C23CCC3)CC1 1722440395 FQQZCEAQHKFWRH-MRXNPFEDSA-N 448.518 1.818 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722698744 LJEBKGKICVBJNT-LJQANCHMSA-N 445.612 1.079 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nnc3n2CCCCC3)C1 1722708880 FINJAQDAYJARLA-QGZVFWFLSA-N 442.568 1.758 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1722863541 KWPIYBYQTIXAPV-UONOGXRCSA-N 437.545 1.738 30 10 IDEE CCN(CC)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1728408937 JSXKQGZGOCFOKD-JKSUJKDBSA-N 449.581 1.569 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1728805950 DSCMXOFIWGOBCI-FOVKVLHESA-N 430.509 1.445 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCC[C@@H]1C 1730763377 VPYIFZIKLYXRCB-YCRPNKLZSA-N 430.509 1.923 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CC2=CCCCC2)C1 1731015354 QVTVANKTZKRZSY-APWZRJJASA-N 438.529 1.553 30 10 IDEE CS(=O)(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](F)(C#N)C1 1731017659 ASROGMHEMAYOTG-HXUWFJFHSA-N 445.524 1.662 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N(C)C 1740650517 CURCJDFLPNMSRS-UHFFFAOYSA-N 436.541 1.848 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCn2nc(C)nc2C1 1740721476 KFNLHMBAZBPZEJ-UHFFFAOYSA-N 442.574 1.556 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740794455 AUJHSGKTOZOAIO-HUUCEWRRSA-N 431.459 1.880 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740880026 BGZNNRMBBHZHQB-HNNXBMFYSA-N 427.465 1.159 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740884497 CONHGEJGNLBEQG-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3c(cccc3OC)C2)nnc1[C@]1(OCC)CCOC1 1740966470 YPIMNQMWIPCLBO-QHCPKHFHSA-N 441.532 1.804 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740999926 IFIISCXJESTXQW-HXUWFJFHSA-N 444.565 1.412 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1741801700 FDVJCJJHDYWYPX-ARFHVFGLSA-N 447.540 1.603 30 10 IDEE Cc1cccc(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1742143441 USGWTJHBFPFSBY-XOMICKMZSA-N 435.488 1.832 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1746698239 CAXNSKXGAGNIBQ-OALUTQOASA-N 443.545 1.585 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1748672690 WTBWTYHMBSNMFB-RRFJBIMHSA-N 433.500 1.522 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1748755595 PYLONYCMUYJWEB-INIZCTEOSA-N 439.549 1.579 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1748892918 XYVIFBFZXXOBRG-HXUWFJFHSA-N 448.552 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC[C@H](F)C2)CC1 1749015175 ACVDBHKYPCHSAK-WMZOPIPTSA-N 430.528 1.505 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749020146 MXPVXMUUXQFTPV-ZDUSSCGKSA-N 446.499 1.288 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1OC 1749054505 UHXAUXVURWNQSX-VBKZILBWSA-N 448.549 1.341 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)C(=O)OC(C)(C)C)CC1 1749285989 BMPRBTLSZUYWNP-HNNXBMFYSA-N 442.586 1.912 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749676828 FQUDGBFSDSXRRN-LJQANCHMSA-N 437.548 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749736731 NVGPKIOQKRVNDL-INIZCTEOSA-N 448.549 1.142 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1750062627 HDINTKRVCGGLHV-OAHLLOKOSA-N 427.465 1.698 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760181654 ZIRLKRVBKGEHGW-IBGZPJMESA-N 443.573 1.676 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1760324783 MYFWJRNAUXYGJC-FXAWDEMLSA-N 446.552 1.660 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1760520558 RTNPWJBCWRFHAH-SFHVURJKSA-N 425.537 1.775 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1760525357 CDGZHMAPKHHHIS-ZSDSOXJFSA-N 446.577 1.709 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1765351354 CEPJHHPHBFMECP-CABCVRRESA-N 442.549 1.734 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1766759924 KRLRHYBQZAFYRG-UKPGIYTDSA-N 445.545 1.493 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)OC 1770782205 XDEUFAJVEDJWSX-DENIHFKCSA-N 443.504 1.386 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CO)CC2)CCC1 1771341579 AZIOBYYKPAPTTO-UHFFFAOYSA-N 429.546 1.993 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 1771534062 LVZCBUMUNGSNOJ-MRXNPFEDSA-N 445.474 1.709 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1772660273 QNWXGQVSDMJCHO-UHFFFAOYSA-N 442.545 1.509 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)[C@H](C)C2=O)CC1=O 1856358860 KDJYPVBXUCHEEL-NVXWUHKLSA-N 433.530 1.032 30 10 IDEE N#Cc1cccc(C(=O)N2C(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)c1 1856900356 HOQPAUGNIHTCSJ-UHFFFAOYSA-N 425.466 1.699 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@H]2C)cc1F 1857098256 JNIUYAFBBLGEQD-CYBMUJFWSA-N 431.445 1.768 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc1 1867821854 PVVXMOBKOOYHKD-IAGOWNOFSA-N 441.400 1.592 30 10 IDEE C=CCN=c1nc(Nc2ccc(Br)c(C)c2)[nH]c(N2CCN(CCO)CC2)n1 1871580508 ZOWNLODNVGTFQE-UHFFFAOYSA-N 448.369 1.820 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCCN(CC)CC)ncnc21 1875229043 MBEDKSBZSUOTGQ-UHFFFAOYSA-N 432.569 1.578 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1984789095 RRWQBDSOBADRPK-KGLIPLIRSA-N 427.498 1.777 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1ccc(C#CCCO)s1 2145935717 BTWIZKRXGFORDF-UHFFFAOYSA-N 446.550 1.978 30 10 IDEE O=C(C1=CCS(=O)(=O)CC1)[C@@H](O)c1ncc(Br)cc1Br 2232541551 FJIKYTLOHPWNJR-LBPRGKRZSA-N 425.098 1.954 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404642 LQRUMDKQUJZHPG-IBGZPJMESA-N 438.359 1.987 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255594779 FEWDTJWIJOGBPL-ASSNKEHSSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603715 HWPKPPNSOQVXGZ-GZBFAFLISA-N 432.330 1.694 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)C(=O)O 2256927176 FBRGFYNUPPMKCA-INIZCTEOSA-N 429.282 1.119 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267197294 XJRAOCNVYOLBJL-QEJZJMRPSA-N 448.329 1.073 30 10 IDEE CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267272441 ZPTUDZFSYLXHDW-GOSISDBHSA-N 439.369 1.708 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2268624255 SJHBSNWKGDFOQP-HOCLYGCPSA-N 447.341 1.937 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2312902916 JJRQDFZAQGFRME-IHRRRGAJSA-N 430.314 1.513 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2315532580 UOYDNPZECITJGA-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1 2315532583 UPMGCTOWIJALPK-OKILXGFUSA-N 434.346 1.752 30 10 IDEE COC(=O)CSc1nncn1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2321295836 GCUIOPNEQAXDGO-UHFFFAOYSA-N 435.506 1.145 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)c([N+](=O)[O-])c2)CC1=O 2327904357 ABDRRUZXLYFJBF-ZDUSSCGKSA-N 448.505 1.973 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2337197527 XRBYEKMXOLQQGH-RCDICMHDSA-N 446.357 1.849 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1C[C@@H]1CCCO1 461150485 JKFXNIIBJUDFFX-SJORKVTESA-N 433.520 1.839 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 468625542 QPVUNSRCCIOKMI-HNNXBMFYSA-N 441.307 1.697 30 10 IDEE N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 472442169 JAYQXFSMOWTCPI-VABKMULXSA-N 427.508 1.956 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](COc2ccccc2)C1 481536849 USUGWIFOTXSCIX-LPHOPBHVSA-N 429.498 1.531 30 10 IDEE C=CCN(CC(=O)NC[C@H]1CN(CC(C)C)CCO1)S(=O)(=O)c1cccc(Cl)c1 494469852 DRONDHYUMAEFDQ-SFHVURJKSA-N 443.997 1.990 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 500877037 PURCWIARAGNIQF-UHFFFAOYSA-N 439.488 1.701 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 503617522 XOMIKTHBOTZJQD-UHFFFAOYSA-N 446.554 1.467 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1 522947932 JEUOXNBZGKKEFZ-UHFFFAOYSA-N 447.479 1.012 30 10 IDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)n1 530903885 OXEGZGMBJQMFST-UHFFFAOYSA-N 440.451 1.944 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670222208 NQXBKOPVTQFGDA-ICSRJNTNSA-N 443.596 1.469 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#Cc4cccs4)c3)CCN2C1=O 675600117 HAPVXBUVPGVAEC-SFHVURJKSA-N 436.493 1.581 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C)c1 729668670 OKUJCYXCCIMFNN-UHFFFAOYSA-N 441.516 1.660 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730144271 ZCPPZNORVJVMAK-FUHWJXTLSA-N 447.605 1.827 30 10 IDEE CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)O[C@H](C)C2 732910110 MGVYZVJWGJXLHA-DSLFPGPSSA-N 432.498 1.388 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 750916502 PKGANZLTLQNSRX-YRWFTTLQSA-N 431.514 1.371 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)Nc1ccc(C#N)cc1 755185712 IZNSHGFJUIRECD-MRXNPFEDSA-N 430.461 1.556 30 10 IDEE COc1ccc(CCN2C(=O)C(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760551291 LDZWDWNPAHWDPF-UHFFFAOYSA-N 448.483 1.075 30 10 IDEE N#Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)CC2)n1 760604656 IUWOWXVDCFUYDX-UHFFFAOYSA-N 442.501 1.973 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 765908220 YRVWCMQVLHWENL-QILLFSRXSA-N 433.486 1.169 30 10 IDEE CCC1(CC)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC[S@]1=O 769633041 QWAXCWNZQHVSBJ-HHHXNRCGSA-N 425.576 1.655 30 10 IDEE C#CCN(C(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CCS(=O)(=O)C1 774016091 DTXFPERPLFENQT-NSHDSACASA-N 429.292 1.875 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 778045423 PENMJVTYUPTAPU-QAPCUYQASA-N 435.546 1.973 30 10 IDEE CO[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 786450597 WAZBQRXPZHSJEJ-VTTUBGBJSA-N 438.550 1.758 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 786814834 YNKLFGYKGUQLBU-CHWSQXEVSA-N 437.522 1.921 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 788818927 BZNCNDGOAXEBTH-UHFFFAOYSA-N 433.852 1.483 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1CCN1CCOCC1 790425176 RWXYQORABMBGEO-UHFFFAOYSA-N 436.537 1.057 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OCc1ccc(C#N)c(F)c1 791310864 XVZOQZUEYFEUIM-SFHVURJKSA-N 448.472 1.982 30 10 IDEE Cc1ncc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N 813705426 KFIXUTAEFAKARQ-KRWDZBQOSA-N 435.550 1.577 30 10 IDEE COC(=O)[C@H]1CCC[C@@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1117349214 BJVUNWLFZCIOEP-GJZGRUSLSA-N 427.461 1.386 30 10 IDEE CNC(=O)CC1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCCC1 1148549372 JOWPWIRIJIQMJT-GOSISDBHSA-N 439.516 1.966 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(O)nc(C4CC4)n3)CC2)cc1 1154797034 CJWPCRPHHWIZHH-UHFFFAOYSA-N 441.513 1.648 30 10 IDEE CC1(C)C[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1157725961 RVBXTYATLLNGPB-ZBFHGGJFSA-N 432.502 1.235 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1158688725 YFCOBMBMOIRRJZ-HXUWFJFHSA-N 444.557 1.921 30 10 IDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1159656104 GXUDYASDAVFZDZ-LJQANCHMSA-N 443.481 1.324 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc1ccc(C#N)s1 1162248307 HJMGTKJOAJJQNK-MRXNPFEDSA-N 435.527 1.478 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@](C)(C#N)C2)c1 1167598053 PHAURNHGNSHKLM-INIZCTEOSA-N 430.324 1.750 30 10 IDEE C#CCC1(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCOCC1 1178168540 CGRQCYLMCLQXED-UHFFFAOYSA-N 429.336 1.806 30 10 IDEE Cc1ccc(S(=O)(=O)C2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)cc1 1197506155 FECVMBLJXKNZCZ-QFIPXVFZSA-N 446.617 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1286274576 OLYGFJCXGXQXJU-KBPBESRZSA-N 442.586 1.650 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1286296102 LODHVINYMCYNRQ-XMSQKQJNSA-N 426.590 1.930 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1286324443 PTTHSDAUBOAXIM-HNNXBMFYSA-N 438.579 1.507 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389147 GHKGETCNKAKWOZ-GOSISDBHSA-N 447.605 1.821 30 10 IDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCN(C)C2)CC1 1286664839 JHZFYRLTMUNJHN-OAQYLSRUSA-N 430.578 1.739 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1286687975 OGHAHWKALYPGET-ZWKOTPCHSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccc(C)o1 1286783769 KZZJFFDXGGBDBM-UHFFFAOYSA-N 433.476 1.761 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCOCC1 1286813990 HFDRVGZHNNQUSX-UHFFFAOYSA-N 447.561 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286819344 HKYNKAQIQJESAV-CALCHBBNSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)NC(C)(C)C 1286820885 UOIXQNQWMSMMGR-HNNXBMFYSA-N 427.571 1.471 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1287204239 VJJFEVQOSMARDD-CQSZACIVSA-N 445.549 1.218 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 1297696897 RLHVAGAIPJBZMT-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CO[C@](C)(Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)C1CC1 1299507468 AXCGEDFXFBFFQM-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE COc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1300083293 IVUVSOCJSPBZON-APFMSCDFSA-N 438.488 1.705 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1300309564 VAIUNBBGZBWWTO-NVXWUHKLSA-N 443.529 1.643 30 10 IDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1300469939 DGLQYYJFBHEGPK-QURGRASLSA-N 429.484 1.946 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1300497283 XZLXXBBYJNWLOI-ZIAGYGMSSA-N 436.456 1.335 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1300630472 CHFPCCMRSBIQNY-FQEVSTJZSA-N 443.573 1.996 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1300665023 WVCIDXIYSRDIKY-OAHLLOKOSA-N 425.459 1.649 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(COC)cc2)CC1 1300700321 OELUDVFFAMEKMB-HXUWFJFHSA-N 443.573 1.130 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCN(C)C)CC1 1300701427 SMFMLTZLXJGCSB-UHFFFAOYSA-N 430.984 1.856 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)C)CC1 1300725993 LTBMDSOCDRGRNW-GOSISDBHSA-N 435.594 1.582 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1300845685 ZZIDIWCXMXWENH-ZDUSSCGKSA-N 428.331 1.551 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301483251 MBEOMIPCRBTHRN-ZBFHGGJFSA-N 430.896 1.835 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301557979 SCORDUYWTXZZRN-KURKYZTESA-N 439.582 1.377 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1302319973 DDNSBDOOVGPLSF-UHFFFAOYSA-N 436.582 1.744 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCCN2CCOCC2)c1 1302986344 GASUVNAIDSLDLE-FQEVSTJZSA-N 437.548 1.631 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)CC1 1303458669 CJTVUHJEHRPFSN-UHFFFAOYSA-N 437.548 1.378 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cc3c[nH]c4cc(Br)ccc34)C2)c(=O)nc1O 1305589381 HFMXQWGFEMTCCT-UHFFFAOYSA-N 428.246 1.690 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1305631500 IOZNFPHUWGGILY-MWTRTKDXSA-N 435.532 1.980 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1308075176 JOIRUGHREWALEQ-UHFFFAOYSA-N 432.565 1.402 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(C)C)CCO1 1315013292 LFDYERXYZDPIMY-LJQANCHMSA-N 426.521 1.831 30 10 IDEE Cc1nnc(N2CCN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)c(C(N)=O)c1C 1318344545 AXPLSIFYHNSNQY-HXUWFJFHSA-N 436.516 1.816 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1320064036 TZETXFMNVMVQDK-SJORKVTESA-N 428.938 1.677 30 10 IDEE C=CCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1320897124 AIOIKXYNCUTXEI-IEBWSBKVSA-N 437.562 1.620 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358965230 QNDZYOPMALKAON-DYESRHJHSA-N 434.537 1.796 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358965795 BGEGZKUEEGUFJV-MRXNPFEDSA-N 445.574 1.271 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 1358981751 WCGVFCOPJUEIRA-QHCPKHFHSA-N 448.571 1.131 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)C2CC2)CC1 1359041861 KXOVOCRNXULKPZ-AUSIDOKSSA-N 445.564 1.321 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359297968 ILQFOHIPTJXPLB-KRWDZBQOSA-N 449.519 1.040 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359329825 WFDADEWSRNYQIG-LJQANCHMSA-N 442.545 1.857 30 10 IDEE CCCOc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OCCCOC)c1 1439796756 ORAQYWINJPJFFP-HRAATJIYSA-N 436.530 1.901 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3CCN(CC(F)F)CC3)C2=O)cc1 1450594908 GYEQXCZMAVCHBD-KRWDZBQOSA-N 433.459 1.857 30 10 IDEE CC(=O)NC[C@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1465299031 AIWTVIYPZBLTOO-ICSRJNTNSA-N 442.516 1.756 30 10 IDEE C[C@H]1C[C@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C(=O)N1c1cnn(C)c1 1469101897 GEQQDUBVHVIXJI-KKSFZXQISA-N 435.532 1.749 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1502639202 UMJQEVKVPIJFSZ-MIZPHKNDSA-N 441.532 1.978 30 10 IDEE COC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)OC 1504578273 HPHUUJJWENKEEF-STQMWFEESA-N 425.287 1.426 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504604791 KPNZTFZDSLIEIB-NUJGCVRESA-N 444.515 1.881 30 10 IDEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(N)=O)c1 1505324773 BVAVVRMNKWHWDK-UHFFFAOYSA-N 435.532 1.986 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1507538604 NXFHTPKWJXIVIG-IEZWGBDMSA-N 445.545 1.073 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1507648917 VVMXXUPHTGEERL-UHFFFAOYSA-N 448.571 1.991 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1507760379 ZNWPHPZWAFJKNG-BJLQDIEVSA-N 447.605 1.960 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1507809512 VTFZITDXLYSJFO-HCXYKTFWSA-N 433.553 1.685 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)N(C)C)CC1 1507910253 KXUDQCXRJNQZDM-IRXDYDNUSA-N 427.571 1.296 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCN(CC)CC2)C1 1508125829 RRXJVPBLMRBIMF-RTWAWAEBSA-N 432.613 1.981 30 10 IDEE CC(C)CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1509340157 XENPIZMMDXCZFL-RTBURBONSA-N 429.569 1.859 30 10 IDEE CC1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1510318535 JWNRERSFZKRBMO-OHTQGHCMSA-N 448.549 1.085 30 10 IDEE Cc1ccc(-c2nnc(N(C)C[C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1510779763 DTKVPZYJGRWAAT-UDJKBAMHSA-N 426.477 1.988 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCN/C(O)=C1/N=CC=CC1=O 1518455054 GXIKFHIAAYUSNB-YIYXVTKBSA-N 449.515 2.000 30 10 IDEE COCC1=CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1518823426 XNYZUZDAKYSVJB-VZCXRCSSSA-N 437.504 1.593 30 10 IDEE C=CCCC[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C(=O)O 1525044212 QTEIKRGGOIRBDL-KRWDZBQOSA-N 438.550 1.231 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N[C@](C)(C#N)CN(C)C)c12 1531927789 AMBVZRFBZMPVRC-YCRPNKLZSA-N 444.561 1.550 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1=O 1534984372 NRWATAQWMOVLIT-KBXIAJHMSA-N 434.493 1.256 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CCS(=O)(=O)CC1 1538556595 TYUJWIVNNJOOTB-SFHVURJKSA-N 448.541 1.995 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1539003799 GLDNYEFLPVJBHH-ZBFHGGJFSA-N 427.505 1.956 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1539013024 HQVZVMBCCCCOTD-HKUYNNGSSA-N 443.573 1.801 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)CN2CCCC2)CC1 1539430820 OIKCVFPMENMPKY-NFBKMPQASA-N 430.597 1.417 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1539532668 CHRDCOCFLLNILD-LJQANCHMSA-N 446.621 1.631 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1539624183 QSKVKOIODAXRSA-IHPCNDPISA-N 441.532 1.886 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540907328 SPLZOADZSBBBCA-IBGZPJMESA-N 443.573 1.475 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1541911894 ZDOSIOFWVCAMGV-RVKKMQEKSA-N 432.550 1.821 30 10 IDEE C=C[C@](C)(O)CC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1542585623 IMJIRODGRKFOJX-IBGZPJMESA-N 427.523 1.755 30 10 IDEE N#CCN1CCN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1544071504 DVGJTHZNFBXWHY-JOCHJYFZSA-N 434.496 1.554 30 10 IDEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1555121231 CDGUQBXRHNNLOT-SFHVURJKSA-N 438.513 1.892 30 10 IDEE COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2)nn1 1556110823 FTSOAWAMXMDSDK-MRXNPFEDSA-N 440.309 1.760 30 10 IDEE N#Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1F 1557028914 ZWJFGZAERQFMOM-UHFFFAOYSA-N 433.461 1.843 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1 1557659356 VERBMRVHRWNPLR-QFYYESIMSA-N 427.404 1.492 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)c1 1565223245 LKVKFNZUZMNONM-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OCCN3CCCC3)CC2)s1 1566151987 IFLNOBYSVZZHDG-UHFFFAOYSA-N 441.619 1.858 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588053547 FNEZSMBZSMWGLR-SJORKVTESA-N 433.578 1.826 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2COCCO2)CC1 1588761954 CKPPXNRYGBZJLK-SFHVURJKSA-N 446.349 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1588891738 SQDMTHNYRHVQGZ-SFHVURJKSA-N 430.553 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CN2CCCC2)CC1 1588913909 TVZCGSRKONFZAY-IBGZPJMESA-N 437.592 1.981 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1593777052 ULTMJSLFRBDTGG-MDPIYQRISA-N 436.553 1.979 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1nc(C)cc1C 1594963482 TWTXZEHMJBGWFE-QGZVFWFLSA-N 437.570 1.137 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595824063 WFNXLQXSNXGAHO-QZTJIDSGSA-N 446.529 1.778 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1611307828 HPLDGQPWERIPBJ-FPCVCCKLSA-N 428.534 1.488 30 10 IDEE COc1ccc2c(n1)N(C)CCN2C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1616834227 ZTOKCIXPFUWQRA-MRXNPFEDSA-N 434.456 1.650 30 10 IDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C[C@@H](O)C(F)(F)F 1619102459 BFAVJCWRNAGLPU-QZTJIDSGSA-N 446.445 1.406 30 10 IDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1619818178 VTHIUZRBICVJDC-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1620794226 DIIPHRWCKOPBIY-ZDUSSCGKSA-N 443.426 1.250 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N=[S@@](C)(=O)c2cccc(Br)c2)C1=O 1626323918 HXVROYSIGYCMQU-VWLOTQADSA-N 428.264 1.409 30 10 IDEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1629760857 WBBNILRIMVSNFQ-MSOLQXFVSA-N 427.526 1.991 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1641573978 CBPSHENGNUTCGF-WCQYABFASA-N 425.359 1.504 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc2ccc(Cl)cn12 1641930859 OMMHJSDDMJNTNC-UHFFFAOYSA-N 432.893 1.518 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1644583899 TXAXLKRKLOCAFA-FQEVSTJZSA-N 431.514 1.817 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 1644588193 YZTVPBCVNRTCNA-QGZVFWFLSA-N 444.444 1.860 30 10 IDEE Cc1ccc(C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)cc1S(=O)(=O)NCC#N 1645172601 QWNGBDHHANHQJR-GOSISDBHSA-N 435.546 1.893 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1654141359 CGEKFJXKILIFML-DTWKUNHWSA-N 427.317 1.902 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 1655469315 VFLSHPGJQJFYKO-UHFFFAOYSA-N 448.570 1.062 30 10 IDEE C#CCN1CCC(NC(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1668806895 QXHDHQNTMLRFGK-UHFFFAOYSA-N 428.533 1.705 30 10 IDEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1678024163 JVCSRWXMWDASAD-UHFFFAOYSA-N 432.458 1.385 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690003260 JAHGABSJQKPCRD-REHUZNOOSA-N 443.592 1.891 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cccn2)C1 1690189223 WFKJUDPMTQICNK-FHWLQOOXSA-N 446.577 1.470 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1690227603 CNHBIBGCPOAPMY-CQSZACIVSA-N 435.330 1.646 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1690507225 HMXJKTYQNSTXKQ-LJQANCHMSA-N 432.569 1.371 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)C)CC1 1690669714 MTQQNHDIQZKYIC-UHFFFAOYSA-N 429.525 1.275 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OCC)CC1 1690675387 YYOOKUHZQHPMDV-UHFFFAOYSA-N 442.520 1.480 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O 1690682312 LHAMOUZPTJVFFM-MRXNPFEDSA-N 433.534 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1690720667 PJKJSJVAQMOKPP-UHFFFAOYSA-N 447.561 1.149 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690737103 ZWIQQJPHJZUTCE-HNNXBMFYSA-N 449.602 1.935 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1695438290 HKRWEOZMBPDSDE-QGZVFWFLSA-N 436.476 1.612 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1696912940 ASBPVXDCWOGRBW-IWAYBZMOSA-N 444.561 1.458 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOCC2)CC1 1698492505 HIXNEZOBHKZOHI-UHFFFAOYSA-N 438.536 1.778 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCn2cc(Br)cn2)CCO1 1698492652 DXJYYMOBUWPXFU-DZGCQCFKSA-N 436.314 1.560 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCSC1 1705480862 YUPZWXBHRVOQIC-VBKZILBWSA-N 448.618 1.873 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@@H]1C 1705835254 FGVPPCBIACNUCJ-QRWLVFNGSA-N 434.566 1.709 30 10 IDEE C=CCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705893310 BVOXGSWUEFOLFO-FXAWDEMLSA-N 439.582 1.509 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@@H]3CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908947 XZZNUJWCOUSFJB-NJNPRVFISA-N 433.553 1.484 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705932200 OSUDDAMQZWGHJI-MSOLQXFVSA-N 435.550 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(N)=O)C1 1705938309 VBIUBXPGPXICMS-KRWDZBQOSA-N 447.561 1.386 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1706641982 YTEDWSBNGKDNGP-JOCHJYFZSA-N 439.520 1.168 30 10 IDEE CC1(C)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706945792 FIYFVYCSTMIMRW-STGLLQLASA-N 427.509 1.382 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1708249444 NGIZBOXTFRTITH-WMLDXEAASA-N 429.475 1.871 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CCNS(=O)(=O)Cc1ccon1 1711263338 DDSTUOVHVBTQFR-UHFFFAOYSA-N 444.521 1.131 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1712329008 FZNQGCTVJLTVBZ-JLMWRMLUSA-N 427.505 1.884 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1722359651 VLPGWWTULCGDSJ-WNRNVDISSA-N 433.578 1.479 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722366654 ITUWPAICNKHVSS-MOPGFXCFSA-N 441.557 1.407 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722402113 HEGJOUOQXQWCDB-UONOGXRCSA-N 436.607 1.977 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1722432646 BTXUPAPNPCEKRT-QTEQDKRBSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1722437653 OPCKVGGOOBZAFX-OAQYLSRUSA-N 438.576 1.526 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722608969 OXUNIKMEJZLJQY-HOTGVXAUSA-N 440.614 1.986 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCNC(=O)[C@@H]1CC 1722706682 XQAYLXMWHIDOTN-KRWDZBQOSA-N 426.521 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722725403 LAMWNXMIYPJWNN-QZTJIDSGSA-N 447.536 1.932 30 10 IDEE C=CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1722731820 DDYFKRJJTJEGCM-UHFFFAOYSA-N 434.953 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722750179 LMDWKLXCLNDQKC-AWEZNQCLSA-N 437.953 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722751201 RABVYOSXRINXMR-MRXNPFEDSA-N 431.562 1.775 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCO1 1722985402 BSERRVVAWZFIFN-IKGGRYGDSA-N 448.524 1.494 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1729722886 CTUCZHMVTJVUHT-KSFYIVLOSA-N 440.504 1.249 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)OC 1730463715 LDICMZDDFATXKF-NQIIRXRSSA-N 445.545 1.493 30 10 IDEE COC[C@@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1730480040 JQAYUSSAKFXWDQ-LSDHHAIUSA-N 435.456 1.684 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1740590612 IIUMHMREUZAXQE-ZHRRBRCNSA-N 446.552 1.702 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1740649648 ZDNFOKUMBVYZHJ-HNNXBMFYSA-N 435.500 1.872 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)COCCO1 1740680772 NGURNEGNSMYDAB-QFIPXVFZSA-N 430.505 1.854 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1740686127 OTYBEVXLSKMIFT-KRWDZBQOSA-N 433.534 1.108 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740717994 FJYNXJRJGIULJM-HNNXBMFYSA-N 433.607 1.889 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC(C)C)CC1 1740750942 VWVVVXPRVOBRIT-WOJBJXKFSA-N 448.612 1.945 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740784276 QHZMCNMEVAOSLE-GOSISDBHSA-N 429.594 1.953 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCOC2)C1 1740964461 PHFVVRXCYHIBQF-QFIPXVFZSA-N 427.505 1.785 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741193553 UKTGFGKVHREKRL-STGLLQLASA-N 429.525 1.095 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccncc4)n3CCC(C)(C)O)CC2)c1C#N 1742668450 ATBMPZCOTUTJRF-UHFFFAOYSA-N 449.563 1.665 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOCCS(C)(=O)=O 1748649318 NFOSUOCYTTWRFR-INIZCTEOSA-N 442.545 1.854 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC(C)C 1748671133 GHEFAWIRCBABCS-DLBZAZTESA-N 443.639 1.848 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1748671981 OWBNHHJIRYPTAX-CRAIPNDOSA-N 435.525 1.565 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1cc(CO)nn1 1748842152 DTCGYOBUCHAFKX-UHFFFAOYSA-N 442.483 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)[C@H](C)CC)CC1 1749000912 DHYWFSSXVOWOIO-GOSISDBHSA-N 443.596 1.210 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1749048634 SGYCGLFXRPIWGD-UTKZUKDTSA-N 435.594 1.648 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749652421 NPUDTAPHEGPVME-LJQANCHMSA-N 447.337 1.712 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1750069658 NGHQCXFBOSHFAY-CYBMUJFWSA-N 425.449 1.511 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1760206269 VBNPAEGXURDRMM-GOSISDBHSA-N 442.541 1.731 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(N(C)C)CCSC1 1760229734 CQQVZNKQSBZSDU-OAQYLSRUSA-N 437.577 1.818 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCCC1 1760245396 BJNKXXDKNUGQLU-UHFFFAOYSA-N 439.516 1.848 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCNC(=O)OC(C)(C)C)CC1 1760259505 CRVLGWAGWDNGLQ-KRWDZBQOSA-N 445.568 1.289 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[S@](=O)C(C)(C)C)CC1 1760268050 BFBOOILJOZWGSF-HKBQPEDESA-N 445.593 1.192 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760513396 BMPAOMOUXRBRJQ-MRXNPFEDSA-N 443.533 1.222 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCCC2)C1 1760535779 XCFWDNDKHKDEEA-IRXDYDNUSA-N 426.587 1.156 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760550727 HFWYOCZFPISUAG-UHFFFAOYSA-N 431.562 1.387 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)F)CC1 1760555372 DUBONYQMHVIQLF-HNNXBMFYSA-N 433.525 1.508 30 10 IDEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1761751767 ZWZCTPUTOZOESA-IETCZJMGSA-N 425.424 1.815 30 10 IDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCCN(c2ccccc2C#N)CC1 1766712764 AJOWLJYKVDNKCC-UHFFFAOYSA-N 431.566 1.504 30 10 IDEE CO[C@]1(Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)CCOC1 1769783785 CIOVWLKHIXPCLW-QFIPXVFZSA-N 425.537 1.974 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccc2nsnc2c1 1769846610 AGSVETGNZVQBGH-UHFFFAOYSA-N 440.533 1.820 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCN1CCC(O)CC1 1770189972 SZLJARYQRUOVJN-ICSRJNTNSA-N 432.569 1.589 30 10 IDEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1770580557 CHZSWIFJMJYQFV-WOJBJXKFSA-N 438.532 1.927 30 10 IDEE CN1CCC(N2C[C@@H](C(=O)N3CCC(COc4ncccc4C#N)CC3)CC2=O)CC1 1848670575 KXQQSEZOYHZQLK-IBGZPJMESA-N 425.533 1.513 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1849210501 URUAUYHAMBTTGU-AWEZNQCLSA-N 427.324 1.809 30 10 IDEE N#Cc1cc2c(cc1CC(=O)NCc1nc3ccccc3n1CCN1CCOCC1)OCO2 1852363753 MVCWFODOLOKZBI-UHFFFAOYSA-N 447.495 1.828 30 10 IDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1852896296 QVKYVNZTSNNFKS-AWEZNQCLSA-N 427.324 1.809 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1854286311 GDXDNJTWBKCRLX-MOPGFXCFSA-N 432.546 1.593 30 10 IDEE COc1cc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc(OC)c1OC 1872796219 QHWCHXAMSBWEAM-UHFFFAOYSA-N 432.502 1.896 30 10 IDEE C=CCn1c(C(=O)NCCCCCO)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873595087 OIOUUOHXONHFEP-UHFFFAOYSA-N 444.536 1.788 30 10 IDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873595344 YXPQGYVPWQULLU-UHFFFAOYSA-N 436.516 1.482 30 10 IDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SC)ccc1OCCN1CCOCC1 1874430861 BHOGEMUOSIPIJQ-LPYMAVHISA-N 448.549 1.238 30 10 IDEE Cc1c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Br)nn1C 1881502137 VXZPVMSBARMXTL-OLZOCXBDSA-N 427.347 1.936 30 10 IDEE CC(C)(C)OC(=O)N1CC(NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)(C(N)=O)C1 2033801684 ZSQYOZUULGPZEU-UHFFFAOYSA-N 431.342 1.550 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nn1 2060812128 UQHPMLOWYBNVQT-IBGZPJMESA-N 439.520 1.539 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2067791223 KTNZKWABBNZVOC-INIZCTEOSA-N 434.342 1.735 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1(O)CCC1 2131461096 YLUSVUUDLAWKPB-AWEZNQCLSA-N 448.329 1.523 30 10 IDEE NCC#Cc1ccc(Cl)c(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)n1 2241110505 GLAAVAFMUZHKLZ-UHFFFAOYSA-N 446.916 1.863 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 2247581202 IWKRWHNDEUQMTI-YZEMWESSSA-N 437.537 1.637 30 10 IDEE Cn1ncc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2255542118 NIVHUKHPBHOXRH-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255626564 HMFAHOQLMPTQOI-OKILXGFUSA-N 432.330 1.648 30 10 IDEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2255750337 IIDGRVCTCAGTNQ-UHFFFAOYSA-N 444.362 1.923 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2255806626 IECVRDRLGAEXHN-YEJXKQKISA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)CC1 2255820968 XHIFNLCVBCKVAQ-UHFFFAOYSA-N 437.346 1.808 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCN(Cc3ccccc3)CC2)n1 2255840099 IFUQNDLWZKPDLK-UHFFFAOYSA-N 425.342 1.509 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2267135505 DFXRDMKBBNBTEK-CFVMTHIKSA-N 448.329 1.073 30 10 IDEE C[C@@H](NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267265211 BVINNMXSSODMRI-CQSZACIVSA-N 447.341 1.481 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2267598509 AVRINEZYRIINTQ-MELADBBJSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880942 DYPWRBMVLKMYBM-KKUMJFAQSA-N 444.341 1.761 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2269718477 SWSAYGAELPJKRF-UONOGXRCSA-N 439.243 1.677 30 10 IDEE N#Cc1ccc(Cl)nc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270535558 LVELQVHURWGYPU-ZDUSSCGKSA-N 438.849 1.728 30 10 IDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)c(O)c1 2331273788 SSTXZYJNBVSQLH-UHFFFAOYSA-N 434.503 1.948 30 10 IDEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc(F)cc1F 20292284 VUBHXFCXJWJLIO-QPSGOUHRSA-N 435.416 1.858 30 10 IDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)c1O 21318954 PPTUQJDIJOXBRJ-SSDVNMTOSA-N 427.490 1.561 30 10 IDEE CN(CC(=O)NC(C)(C)C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 25927002 NDSFVULDVMPKHX-UHFFFAOYSA-N 428.493 1.301 30 10 IDEE C[C@@H](C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409672224 PWSJYZMCPRDLLD-ZDUSSCGKSA-N 447.293 1.223 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1C[C@@H]1CCCO1 427303420 ZZGYGLFKYKNKNQ-FQEVSTJZSA-N 449.576 1.749 30 10 IDEE CCCc1c(NC(=O)C(=O)N[C@H]2CCN(C(=O)NCC)C2)cnn1-c1cccc(C#N)c1 443694902 RPHHCPLOTFPSJN-INIZCTEOSA-N 437.504 1.555 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1OC 489098273 GNKTXPHAYSBPPI-UHFFFAOYSA-N 430.486 1.426 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2OC)C1 508940222 XLJKHEYVNCXFDH-APWZRJJASA-N 447.561 1.800 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1Cc1ccccc1 516828870 PZIHHYRAWMVJSD-UHFFFAOYSA-N 433.533 1.833 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1-c1ccccc1C#N 531588806 VWJNKRDQGPURCG-UHFFFAOYSA-N 438.871 1.812 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCC[C@@H]2CC(N)=O)CC1 533287519 QMCJXKCGEHASEE-OAHLLOKOSA-N 426.477 1.185 30 10 IDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 577194245 GOHKMADMVXUMFT-GOSISDBHSA-N 430.940 1.958 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 590973043 NGZJHUXSUKNPIY-AWEZNQCLSA-N 438.484 1.087 30 10 IDEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC2=NCC(=O)N2)c1 613190911 FERPBVKBNQPIMJ-UHFFFAOYSA-N 432.889 1.937 30 10 IDEE N#Cc1ccsc1N1CC[C@@H](N2CCN(c3ccccc3S(N)(=O)=O)CC2)C1=O 615456175 GNQPEFHLFJGVMC-MRXNPFEDSA-N 431.543 1.195 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 726178897 CJEVUYICRSVNGU-QGZVFWFLSA-N 442.585 1.948 30 10 IDEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCNC(C)=O)cc1 730139060 PNBTZHWGFSSSOQ-GOSISDBHSA-N 433.578 1.385 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730139532 QZCJLHCCUSQCRQ-AWEZNQCLSA-N 425.942 1.085 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccn2)cn1 730143702 CRYOVOQOHUXWKM-KRWDZBQOSA-N 429.550 1.498 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 731070095 GOEXXFSXMRYMJP-MYSGNRETSA-N 442.497 1.531 30 10 IDEE COC(=O)C1CCN(S(=O)(=O)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 732497934 SZBLCIYYUVEBGX-UHFFFAOYSA-N 444.469 1.605 30 10 IDEE COc1cccc2c1OCCC2=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 734751339 QTMTXUFPUFOVNZ-UHFFFAOYSA-N 431.518 1.625 30 10 IDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc2c1CCSC2 746036832 GGYFSBOTGRXSGL-ZDUSSCGKSA-N 448.570 1.851 30 10 IDEE CC(C)(C)OC(=O)NCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 749646371 MYXKGYVLRUMFIM-GOSISDBHSA-N 427.505 1.849 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 759828666 PWBOPUAIJPUFJE-OAHLLOKOSA-N 430.482 1.730 30 10 IDEE C#CCN(C(=O)Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCS(=O)(=O)C1 774016087 DTXFPERPLFENQT-LLVKDONJSA-N 429.292 1.875 30 10 IDEE C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCO[C@H](C)C2)O1 797775951 MBGAPHLPZQCBEJ-VWKPWSFCSA-N 435.546 1.690 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 805785897 KUJWQACCNCIGHQ-FUHWJXTLSA-N 442.541 1.856 30 10 IDEE Cc1ncc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C#N 813666670 ACZCVJZAGQUYHS-UHFFFAOYSA-N 426.442 1.102 30 10 IDEE COC(=O)C1(NC(=O)Cc2ccc(Br)cc2C#N)CCS(=O)(=O)CC1 1128344515 WCLBRZRJFGKTDV-UHFFFAOYSA-N 429.292 1.100 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 1135981870 BSYNEGGIHVAHQG-GOSISDBHSA-N 431.493 1.095 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(=O)n1CCO 1166714709 WMYABTPBHMUQGM-UHFFFAOYSA-N 425.272 1.148 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1177759206 LZMSAYVIGNYWOS-OXJNMPFZSA-N 447.333 1.430 30 10 IDEE C#CCN1CCC(NC(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1178207033 FYBFGHVRZOYUJF-UHFFFAOYSA-N 427.549 1.966 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 1286375972 BNBKNVHLPFYESQ-FXAWDEMLSA-N 427.574 1.696 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286386384 ZGLVCBRWMNZHTD-ADXZGYQBSA-N 448.614 1.955 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(CCOC)c1 1286407942 WOPPSXCZQNAETB-UHFFFAOYSA-N 442.483 1.558 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1286409462 MEUGMYZKNUBMDI-KRWDZBQOSA-N 425.514 1.282 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1286435547 DFPYRVJPTUPHEX-NRFANRHFSA-N 428.924 1.799 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)CN(C2CC2)C1=O 1286467006 POCSZWFKWCLLKO-NRFANRHFSA-N 428.562 1.731 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN2CCN(C(C)=O)CC2)CC1 1286476420 XGZRIDDIQBPFSZ-UHFFFAOYSA-N 439.539 1.004 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccsc2)N(C)C)CC1 1286483710 VMPMZFQBIPNQDM-LJQANCHMSA-N 441.605 1.520 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CC(N)=O)C1 1286503985 HMIWMKUYYZOXBA-AWEZNQCLSA-N 430.534 1.464 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC)C1 1286509612 UQXZZRSDSAQAIJ-QZTJIDSGSA-N 439.651 1.715 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286606199 JCTXSVGDCQHVBW-ROUUACIJSA-N 430.553 1.565 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 1286783733 KGSKCKWFBJBKMI-INIZCTEOSA-N 443.504 1.654 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286788779 FZYSLFXHCLWCCT-LJQANCHMSA-N 439.564 1.555 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1nccs1 1286819524 NDMKFDIEZZJMJO-UONOGXRCSA-N 438.579 1.526 30 10 IDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1294401625 IJKBURIDTXVBNW-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1300432957 SVVWESBBLKYNNX-KRWDZBQOSA-N 439.564 1.934 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1300505754 IHINESIAVRFNMQ-LSDHHAIUSA-N 449.499 1.250 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1300538213 OLEHKZKGJHAGLZ-GOSISDBHSA-N 433.578 1.510 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1300631309 PNBHAJBKCZUFFP-QGZVFWFLSA-N 445.545 1.078 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sc(C)nc1C 1300652587 BRHGNNFYBHDRFP-CYBMUJFWSA-N 426.568 1.096 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1300675339 AHZUHXFNEFKWDA-GOSISDBHSA-N 433.534 1.106 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc(N3CCOCC3)c2)n1 1300677132 YBTMIXYWRXWQSI-UHFFFAOYSA-N 449.559 1.954 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC(=O)N(C)C)CC1 1300691413 XRDFRVYZTPEQSP-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccs2)CC1 1300711080 SDPJHMBOOUYUDS-UHFFFAOYSA-N 441.561 1.179 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1300868690 GSGIOCKRDLKPMO-FOIQADDNSA-N 427.505 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301482884 FFESQWFEBTZQMZ-SMDDNHRTSA-N 448.325 1.053 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1301490799 DOUDNHADMQEBLO-UHFFFAOYSA-N 446.577 1.524 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301577569 LVCOZRJNFAQBBU-MJGOQNOKSA-N 443.573 1.817 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 1301617866 KLGYGXOBWZDQLN-AWEZNQCLSA-N 434.591 1.891 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1301951547 AZNYOXDCYGTCRF-HUUCEWRRSA-N 444.565 1.993 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305551841 MNKQGTCABATVGO-SFEXGQDGSA-N 427.553 1.993 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C1CCN(C)CC1 1311556353 PDWCTPHLLXSAFD-UHFFFAOYSA-N 427.593 1.946 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)CC1 1312605386 WNCBLFIYKGBFKN-INIZCTEOSA-N 432.468 1.783 30 10 IDEE COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1316268174 WZWAWTBFQNLFQL-SFHVURJKSA-N 439.520 1.090 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)C1 1316529456 ABQGXJBJLGUHNC-KXBFYZLASA-N 441.529 1.208 30 10 IDEE CC(C)Cn1[nH]c(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1=O 1357484750 UYOMWGSYKVQCED-PTGBLXJZSA-N 433.534 1.826 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1358904574 HBCKYGIGUWJISM-MRXNPFEDSA-N 433.582 1.809 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1358913015 DDLXTRUFPGVFEQ-FQEVSTJZSA-N 443.573 1.977 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1358959022 ABPMLJFHYSRDLQ-FQEVSTJZSA-N 425.558 1.834 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1358984841 IHORKEJZEVCMOJ-SJORKVTESA-N 432.550 1.247 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1358999946 HYWQBLDVEKNPTD-UHFFFAOYSA-N 447.499 1.824 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1OC 1359003181 BBAMIXSOEGDLEI-HKUYNNGSSA-N 432.546 1.860 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359055921 SHTZUJGJULOMJF-LAUBAEHRSA-N 429.521 1.833 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCNS(C)(=O)=O 1359100658 DYTOEILTWLLBFT-IEBWSBKVSA-N 434.566 1.231 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359130603 PDIXBJPNNQCJDU-SFHVURJKSA-N 439.564 1.722 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1359281947 NNGSTPCACBYTBQ-LSDHHAIUSA-N 432.637 1.668 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359302581 MCAFJFANVAGHLG-UHFFFAOYSA-N 430.472 1.101 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC(C)C)C1 1359312233 PYIVHHYSXCCRRH-MRXNPFEDSA-N 427.509 1.621 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1359433421 IGRQWBGLSZVPQR-WZONZLPQSA-N 435.532 1.648 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1361161925 CJOQOGVOKYZVDE-OAHLLOKOSA-N 434.447 1.584 30 10 IDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)C(F)(F)c3ccccc3C#N)CC2)CC1 1443387304 CZCLWFNWMSGXBC-UHFFFAOYSA-N 433.503 1.347 30 10 IDEE C#C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCOCC1 1453745608 MTHKRPALSUCYIV-GOSISDBHSA-N 436.530 1.451 30 10 IDEE CC(=O)N1C[C@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)Oc2ccccc21 1457777545 CMYNJQGMUNGIAH-MRXNPFEDSA-N 445.273 1.984 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)[C@H]1CCCO1 1469869346 YJEKNWODPRVSHR-QZTJIDSGSA-N 449.552 1.167 30 10 IDEE COC(=O)c1nc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1Cl 1469960256 QYEBECBBKRSASO-UHFFFAOYSA-N 436.877 1.267 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1501426659 IQSSOKKWGOPOHJ-UHFFFAOYSA-N 445.531 1.335 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CCO1 1503780761 COZRZRLVIFRDQW-SFHVURJKSA-N 440.435 1.460 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1507535040 WYKIMFLCRNFZOV-HNNXBMFYSA-N 442.545 1.568 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1507538607 NXFHTPKWJXIVIG-WDYCEAGBSA-N 445.545 1.073 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCOC2)c1 1507550814 PQTWDCKRTADEPN-WMZHIEFXSA-N 439.516 1.727 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1507621724 BUXPJWQNDZIIBH-ZWKOTPCHSA-N 435.594 1.821 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507711353 UJGHUVOQQDDAGX-SJORKVTESA-N 445.486 1.521 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1508061139 LEDXPHPBSUTRCG-SFHVURJKSA-N 432.550 1.081 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnccn2)CC1 1508072042 BAGLXFYNMNZEIX-UHFFFAOYSA-N 439.911 1.412 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(C)noc2C)C1 1508114272 KGNFEUDCWOXYAL-GDBMZVCRSA-N 438.554 1.517 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCCC2=O)C1 1508132638 XQPPGCDJYSOQCK-LJQANCHMSA-N 444.580 1.975 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1508513889 BCJUPRGZZQJGBM-ZWKOTPCHSA-N 425.537 1.709 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508847167 CLQORJVWTDRWCD-JTSKRJEESA-N 438.536 1.229 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1512577762 HPGJGLMSNFLREB-QMHKHESXSA-N 438.532 1.839 30 10 IDEE CC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1514053036 ALTRJDHQZANKNW-KKSFZXQISA-N 429.546 1.993 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1517450966 HEDSYLGSLAQPNF-QGZVFWFLSA-N 425.537 1.357 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1519447298 CVMBNMFWVDUPMF-VJANTYMQSA-N 435.525 1.174 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C3)cc2C1=O 1532356684 FDJNQYVOKGPELD-ZIAGYGMSSA-N 430.404 1.516 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCCC2)CCOCC1 1539273477 UDBIWYQHWMNHKN-UHFFFAOYSA-N 435.576 1.858 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1539414261 SVBYHRSRNQUFRT-HXUWFJFHSA-N 433.516 1.608 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1539447465 SEEQMAVFWUGFGS-NRFANRHFSA-N 427.641 1.965 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC(N)=O)CC1 1539499429 KHASGDSAHRFXCU-UHFFFAOYSA-N 444.517 1.690 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC1 1539702487 GNRGZXBCGZMMRW-HNNXBMFYSA-N 429.521 1.624 30 10 IDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539722634 IAUNOZAQNBEFNA-DLBZAZTESA-N 425.555 1.337 30 10 IDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540040203 OWMBMRVHYCWGLU-SFHVURJKSA-N 437.504 1.535 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1540859885 RPLXEBRZXWDUQV-GOSISDBHSA-N 429.569 1.110 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1540868530 IQQQYQSSLMYWEP-RTBURBONSA-N 440.596 1.570 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C)CC1 1540903468 FDDNFLIUDZWCPD-OAHLLOKOSA-N 430.596 1.407 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541800497 AZYFDJLKGUISAV-CABCVRRESA-N 446.533 1.694 30 10 IDEE Cc1c(C#N)c(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n2ccccc12 1544888369 HMZNABVPXGBSTL-UHFFFAOYSA-N 440.261 1.964 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1548179910 ZOHLUNMXNNHJFX-QHCPKHFHSA-N 437.548 1.487 30 10 IDEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1555327302 FHCROXJWYDWDKJ-LJQANCHMSA-N 426.412 1.550 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1555500311 WBNZEEHITHYFNC-RXVVDRJESA-N 440.548 1.922 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1555961678 AZVDZDUXUYWCBO-INIZCTEOSA-N 436.520 1.995 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555992302 MZMAGXKUSIUVEI-QZQOTICOSA-N 432.488 1.530 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1555992802 BXPNHVCXONFFHY-RBUKOAKNSA-N 445.545 1.863 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1 1556099342 NQIAGQKETHBWRE-INIZCTEOSA-N 430.486 1.339 30 10 IDEE COc1ccc2nc([C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)[nH]c2c1 1556295446 ZDPUEUFKWNOKOT-STQMWFEESA-N 427.486 1.987 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1559025580 CFMHXNLKZPYHLZ-UHFFFAOYSA-N 446.504 1.723 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2OCCOC)C1 1561912924 FPZCKZWUPOBNQN-HNNXBMFYSA-N 431.352 1.850 30 10 IDEE C#CCC1(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CCOCC1 1561938683 YCZINBYDHQDQBX-OALUTQOASA-N 436.530 1.514 30 10 IDEE C=CC1(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)CN(C(=O)OC(C)(C)C)C1 1568766046 MCJBOIXNNJBXFN-AYHJJNSGSA-N 434.581 1.999 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1570239769 UDGSXODPUJGHGQ-UHFFFAOYSA-N 442.582 1.024 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1570505417 DLGOTPGHPJIOJC-QEOTZNIISA-N 428.551 1.364 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CS(C)(=O)=O)cc2)s1 1583610308 VKGMESSTUWSHJE-UHFFFAOYSA-N 428.557 1.938 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1586148936 VYGLMQTUDJLFNR-HXUWFJFHSA-N 449.916 1.781 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1587500848 JKMBFCFWWZHJLH-GOSISDBHSA-N 431.512 1.344 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587749223 CDDLDVICGLJMBZ-GHTZIAJQSA-N 436.564 1.527 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1587766417 UCQASDRBKSUQCU-CQSZACIVSA-N 437.488 1.803 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1587803657 IWWSWBSUKDRCPZ-UHFFFAOYSA-N 434.504 1.957 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1588050845 VZGOARZZJBPQIU-QGZVFWFLSA-N 435.575 1.082 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1588065023 RQZQRDLEOUIFQQ-AEFFLSMTSA-N 442.545 1.178 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1588134118 SHMZYTJUSZQYNV-SFHVURJKSA-N 442.564 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCCC 1588228656 JDIVSGKGNJHUCJ-UHFFFAOYSA-N 448.575 1.831 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1588673162 MILYLJKAWQDHKL-FQEVSTJZSA-N 433.534 1.161 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1589134531 MXYQUJLEZUQLRT-WZONZLPQSA-N 443.596 1.351 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(O)(c4ccnn4C)CC3)ccc2c1=O 1594064760 WYRBVQWDYHULCL-UHFFFAOYSA-N 425.514 1.729 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 1594644111 CJSAYOXQQKTJNE-LRDDRELGSA-N 431.474 1.086 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ccnc(C)n2)CC1 1595523497 WLLWUCGFGCQOJY-UHFFFAOYSA-N 448.531 1.681 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595562114 NTVJUCPTGMBCPC-UHFFFAOYSA-N 443.577 1.385 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C(C)C 1595759107 DBCDNFMBNQEFSA-HUUCEWRRSA-N 433.600 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595784929 NZDIUPQADPYIGO-SJLPKXTDSA-N 434.566 1.031 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1595797987 KRYNMBYCMBDBSO-IAGOWNOFSA-N 433.534 1.436 30 10 IDEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)O2)CO1 1598098381 VNWCFDUTZSMGOD-HPXJRWHBSA-N 426.473 1.606 30 10 IDEE CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1603597080 SXYNFLSLSDTYOH-INIZCTEOSA-N 432.550 1.994 30 10 IDEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1625386906 HCTSGCFGAUADBH-CYBMUJFWSA-N 442.324 1.981 30 10 IDEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1632114567 ANAXPNGCVKUZMR-OAHLLOKOSA-N 430.534 1.847 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 1632618152 SYONCMWRSCWBCN-QAQDUYKDSA-N 441.509 1.753 30 10 IDEE C[C@H](CC(=O)NC[C@H]1CCC2(CCOCC2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1636952521 UFMOHEZJVLRUEW-HZPDHXFCSA-N 435.546 1.596 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@H](C)SC[C@@H]3C(=O)NCCC(=O)OC)cc2C1=O 1638590143 CDEKQVILGGRPRU-BLLLJJGKSA-N 445.497 1.052 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CS(=O)(=O)c2ccccc21 1641306449 IEXKVQBRXAHXEP-AWEZNQCLSA-N 447.538 1.193 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2-n2cnc(C#N)n2)s1 1642093180 ULKDSSVDZFGZRU-UHFFFAOYSA-N 428.499 1.846 30 10 IDEE COc1cccc([C@@H](O)C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1642115559 OLFVYJHJAURJJA-NRFANRHFSA-N 443.525 1.706 30 10 IDEE CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 1642563611 GCVXKQJDUGQFIQ-DOTOQJQBSA-N 448.545 1.257 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)c2ncc(CC(=O)OCC)s2)s1 1642597064 KOPNXGQEKZCLHW-UHFFFAOYSA-N 443.572 1.980 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](O)CC2(CCOCC2)C1 1644275621 WRYZZOQNSBTVML-QGZVFWFLSA-N 449.573 1.676 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 1645088428 IESSGPPWEGKFJO-ZDUSSCGKSA-N 429.564 1.881 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)c2ncc(OC)c(O)n2)s1 1645227716 WFVLOPBLTJLGDD-UHFFFAOYSA-N 426.520 1.311 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](F)C1 1648269645 WQORINSZPKOBJP-KBPBESRZSA-N 440.497 1.189 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc(C#N)cc3Br)CC2)C[C@H](C)O1 1654966108 HIWLWILXCDZFJW-STQMWFEESA-N 444.355 1.192 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(Cc3ccccc3)[C@@]3(CO)CCOC3)CC2)o1 1658626276 DUSALLHJWAJLNQ-HSZRJFAPSA-N 439.516 1.157 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1687587873 XKYFDZBNVMHMOG-FABXCBLPSA-N 440.319 1.852 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1689870202 FKSIVMAOCKCZPE-SFHVURJKSA-N 449.515 1.590 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)nc2ccccc12 1690102863 WPBGCYMCNBLISD-LJQANCHMSA-N 434.500 1.920 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1690286013 XJWUFFNFKWEFLE-INIZCTEOSA-N 426.525 1.711 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3ccnc3C2)CC1 1690396541 FNNOGCLPVGBDES-WBVHZDCISA-N 433.582 1.750 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCCO2 1690624564 WEXZRGJZDWAFIF-UHFFFAOYSA-N 427.505 1.859 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1C(C)(C)C 1690731218 CXNOBSGKVVFNCF-QGZVFWFLSA-N 439.626 1.866 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1690816423 HWTXMWQUSYCOKU-GOSISDBHSA-N 437.548 1.596 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)CCO1 1698491265 VXDXUHSHLDWASB-AWEZNQCLSA-N 433.563 1.882 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705570370 MQSDXYIVYVUUTI-SJORKVTESA-N 442.607 1.071 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705580563 KJBPMBQVNGJATE-IRLDBZIGSA-N 445.571 1.513 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705598482 KLSAPJQASFEQPJ-LJQANCHMSA-N 441.557 1.525 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1705641200 WMHHQERPYSZNQN-UHFFFAOYSA-N 447.580 1.977 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705655093 CUAXGVYXRSQLBU-SJLPKXTDSA-N 430.530 1.680 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(OCCOC)CC1 1705691597 IRPIVUMYYKHLAB-UHFFFAOYSA-N 442.358 1.941 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705791969 JLYUMXIZRAOHEV-LSDHHAIUSA-N 430.596 1.406 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[C@@H](C)C1 1705895533 JZFLIFLYYKVCKM-GASCZTMLSA-N 445.593 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705898754 WPVYMKPRKNRJPS-KRWDZBQOSA-N 426.521 1.751 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(C)C)nc2)C1 1705929552 SQLYTWFUAGURSV-SFHVURJKSA-N 425.537 1.691 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCn2ccnc2C1 1706867863 SAFLGYKLEVKCJQ-HOTGVXAUSA-N 446.581 1.477 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708535728 AGLHVLSEODOCMM-XOMICKMZSA-N 443.552 1.623 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)C1 1710351555 ZUSKBKOXIFUJBS-QGZVFWFLSA-N 446.558 1.961 30 10 IDEE COCCN(CCC#N)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1712453983 FMFQTMVZLIAAJO-INIZCTEOSA-N 426.587 1.515 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1712596923 XXAPGGAVTAUDOM-GOSISDBHSA-N 433.534 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1N1CCOCC1 1722284660 OUSNQTJPTCJPGB-INIZCTEOSA-N 428.512 1.898 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1722333734 YTXJSKKYZYQMFM-QGZVFWFLSA-N 439.545 1.811 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1722398948 GKLDUXGZJPRFHT-UHFFFAOYSA-N 431.500 1.494 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722494301 OILHHRJPUWTDCX-YRXWBPOGSA-N 433.553 1.782 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCN(C)C1 1722681668 PRDBDVCZMLROCC-DENIHFKCSA-N 429.521 1.496 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722728618 YDBKAAXZPRZQQH-MRXNPFEDSA-N 448.549 1.110 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722729240 YVFQTTWQFDMZHM-IAGOWNOFSA-N 439.582 1.076 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722754324 FXOJALHFYYTOSP-QQMHEVNUSA-N 441.536 1.377 30 10 IDEE Cc1nc(Cc2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1725291944 PQGLFRWOZWWXIU-UHFFFAOYSA-N 435.535 1.132 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1726672932 BOOGWQFRXSLJNM-UDJKBAMHSA-N 439.520 1.814 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1729593144 RENNFFUVEXPMIH-HNAYVOBHSA-N 445.321 1.915 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)(F)F)C1 1731179817 GLQAOWKCHYYREQ-INIZCTEOSA-N 443.361 1.126 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(C)COCCO2)c1 1740564628 SMRCKMGYZSMDSX-WZONZLPQSA-N 439.516 1.644 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1740589905 CHMRCWSLUYJVMM-CYBMUJFWSA-N 427.481 1.087 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740623031 NCZUKJHYTNAGQQ-GOSISDBHSA-N 442.545 1.711 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740637299 XEAOCFNFCONQQS-UHFFFAOYSA-N 437.529 1.050 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1740691212 XGGUZDHAKDOHNR-IUKKYPGJSA-N 443.523 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C)[C@H](C)CC)CC1 1740707137 QKTWWWRJECJMJR-LJQANCHMSA-N 437.592 1.960 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740782397 RJLQNMWMSPWYDH-CABCVRRESA-N 436.538 1.841 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)CC1 1740839365 ITBVBZUUQKDWSB-QGZVFWFLSA-N 425.624 1.631 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740962004 OWOLHENPICAWRJ-UYAOXDASSA-N 439.564 1.113 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCOC[C@@H]1C 1740993350 YKZZCDNKTRWDJL-AWEZNQCLSA-N 426.489 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(CC(F)(F)F)CC1 1740994935 YPTYZNJOYRNCEO-UHFFFAOYSA-N 439.504 1.490 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(C)(=O)=O)CC1 1741986825 DJSNYNWMVQBACR-UHFFFAOYSA-N 446.533 1.743 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)COCCO1 1747187037 OUNXLXDWGBZGPS-OAQYLSRUSA-N 427.509 1.213 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1748697125 FAOTUDNSBVKWJR-INIZCTEOSA-N 430.534 1.742 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC)c1OC 1748798420 HPYOHWGILMJNNJ-UHFFFAOYSA-N 427.505 1.738 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748802170 MQGKDBWSNDWOPG-MRXNPFEDSA-N 442.545 1.742 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748820744 IHVBMMVVMHEJSQ-MOPGFXCFSA-N 446.577 1.193 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1748888988 DFKVORBWDBWKTI-IBGZPJMESA-N 435.528 1.912 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC=CCO2)n1 1748971299 KZYQLLISNBQTHM-RBUKOAKNSA-N 439.520 1.057 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1748983279 LZRTYRCCQDNWQX-KRWDZBQOSA-N 448.980 1.716 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(C)n2)CC1 1749009277 NZSFAYRQOOINQT-UHFFFAOYSA-N 446.559 1.981 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(=O)(=O)CC 1749126284 ANEMUNQTCAFSLU-UXLLHSPISA-N 425.555 1.081 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1749256406 DEEBZUHNQWPHFI-UHFFFAOYSA-N 438.532 1.853 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1749368510 KZMDJPIFSWDPBQ-INIZCTEOSA-N 438.554 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749659488 FFGRCNHIUFEJID-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1749660559 UEFMZETUBGFCHD-PXNSSMCTSA-N 435.532 1.276 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760185100 PQDBJLFTYWOZQD-JENIJYKNSA-N 429.546 1.782 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760186754 QPWVNLFGBIBIMY-IBGZPJMESA-N 443.573 1.352 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc3ccccc23)CC1 1760254313 UHJGZPOSWZGVJD-INIZCTEOSA-N 442.545 1.438 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(N(C)C)nc2)CC1 1760268507 SJXSEICHDOZFMG-UHFFFAOYSA-N 444.543 1.815 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1760283581 SBLNMZFOQVDKPT-UHFFFAOYSA-N 434.591 1.295 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(N)=O)C1 1760306777 JLVVGDWJMVCJND-LLVKDONJSA-N 437.298 1.616 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1760322539 UDCQNQLCJKAZCD-QRVBRYPASA-N 448.593 1.921 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1760336808 JLODZRJEVAUNMU-HOTGVXAUSA-N 430.596 1.407 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc(Cl)cn2)C1 1760535225 NJJKENYPUXPFCC-DZGCQCFKSA-N 443.961 1.220 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1760549064 VPWMREDXRQGYRJ-INIZCTEOSA-N 435.550 1.948 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc(C#N)o1 1761502091 MNPSPYIZIBESTB-XJKSGUPXSA-N 436.538 1.653 30 10 IDEE CCOC1CC(O)(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1767700793 UNOMJHGOWNGUAI-IOXCNKERSA-N 437.516 1.691 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1767736857 CONCWAFNBOPNBO-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE CCOCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1768074619 NHTKLPLPLBUZND-GOSISDBHSA-N 442.568 1.839 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1=O 1771138441 UBGMBEYKICGGAN-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1772566613 LRDRMTDSQPYIMF-GJZGRUSLSA-N 429.550 1.680 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O 1848436400 XYXBJCQEUAOEMY-VWUMJDOOSA-N 438.413 1.451 30 10 IDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)[C@H]1CSc2nccc(=O)n2C1 1849581047 DUBYLGJXGWTWSP-SNVBAGLBSA-N 432.303 1.974 30 10 IDEE N#Cc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c(F)cc1F 1849993224 ZTCUAZRCUQJBBB-SNVBAGLBSA-N 440.394 1.561 30 10 IDEE CS(=O)(=O)N1CCN(c2ccccc2OCC(=O)Nc2ccc(CC#N)cc2)CC1 1852055949 HXBKSYZWBKNUQS-UHFFFAOYSA-N 428.514 1.852 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3O2)CCN1S(=O)(=O)c1ccccc1C#N 1855734837 YLRKECMZTHZKOQ-RDTXWAMCSA-N 425.466 1.310 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCO2)C(=O)C12CCCC2 1856258053 QKJQITRXOCPNGX-KRWDZBQOSA-N 431.514 1.800 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN1CCN(CCO)CC1 1870731505 USPDIAJZCYZJTK-UHFFFAOYSA-N 440.544 1.470 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CC2)CC1=O 1872918071 RTLQWLOAJRQSBT-OAHLLOKOSA-N 438.484 1.124 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874277108 KDEDPVIDFWBIDZ-FCQRQVBFSA-N 447.517 1.951 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)c(O)c1 1874431512 UPOMVNJEQZIJQM-UFFVCSGVSA-N 434.522 1.471 30 10 IDEE CCCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1OC 1874432633 PPNVLOKUQNGQNI-FOKLQQMPSA-N 448.549 1.951 30 10 IDEE C[C@@H](C#CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 1901984705 YANGIFPARMBIRF-KBPBESRZSA-N 427.498 1.777 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010514011 USDXRZYWBHTFQZ-VAMGGRTRSA-N 428.533 1.841 30 10 IDEE C#CCN1CC[C@@H](NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 2024555112 UXWTYPGNPVTRIY-YKSBVNFPSA-N 426.561 1.980 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCN1C(=O)OC(C)(C)C 2247953487 UMFTUYXPRMPNDH-UHFFFAOYSA-N 442.347 1.266 30 10 IDEE Cc1cnc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255613022 XMXOIGQIFASNSK-CQSZACIVSA-N 435.330 1.305 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255625351 QDURKUKULLDZRN-HIFRSBDPSA-N 434.346 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H]1OCc1ccccc1 2255950978 XHDVOFJKDCMVKJ-IRXDYDNUSA-N 447.366 1.745 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267005240 LOHCFYLMRMDJJL-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267151797 KUVKBLIIHAJAIN-KBPBESRZSA-N 446.357 1.623 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2267269431 DTLPGYABILJMJG-UHFFFAOYSA-N 441.259 1.912 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)CC1 2270596576 CKQKPRFRAKCHCK-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE C=CCN1C(=O)C(=Cc2ccc(OCC(=O)O)c(Br)c2)C(=O)NC1=S 2294199288 NQJDKGYSYUUXBC-UHFFFAOYSA-N 425.260 1.725 30 10 IDEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1ccc(O)c(O)c1 2328261587 HXSDXUVCWAYMIL-UHFFFAOYSA-N 429.458 1.737 30 10 IDEE COc1[nH]c(=N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339787930 IHAYGSYSGKFTOB-JKSUJKDBSA-N 449.357 1.594 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2340993997 CZJQPHQFZKXJLW-IHRRRGAJSA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](CC(N)=O)C1 2343292644 LEOREEJDOOXVTF-OAHLLOKOSA-N 446.357 1.682 30 10 IDEE Cc1cccc(S(=O)(=O)N2C[C@@H]3CN(S(=O)(=O)c4ccc(C#N)cc4)C[C@H](C2)O3)c1 65225205 OMKLNKZMBNARDF-HDICACEKSA-N 447.538 1.329 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 105934593 COORBNAPAFQAMU-UHFFFAOYSA-N 425.514 1.604 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CCC1 430980761 UIILBKBHUVCVBB-UHFFFAOYSA-N 426.542 1.766 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 444345318 PVXRYMWQPALHLE-UHFFFAOYSA-N 429.477 1.860 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3cc(F)cc(F)c3)n(C)c2=O)c1 446159534 YWPXVRKXEWAGSC-UHFFFAOYSA-N 427.432 1.823 30 10 IDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CCOC)C(=O)C1 460367495 DMGBSRUCYWNRTM-UHFFFAOYSA-N 437.508 1.182 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 464103394 XATLSYFLNUIULQ-LJQANCHMSA-N 432.502 1.624 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 474700119 ZVKLCTUUTHCRAE-KSSFIOAISA-N 449.305 1.746 30 10 IDEE CCOC(=O)C1(COC)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 478484039 BJRGAFPIOMQGSU-OAHLLOKOSA-N 437.518 1.043 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478741516 CEXYRQHAIISMAQ-RBUKOAKNSA-N 438.549 1.896 30 10 IDEE Cn1c(N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c(C#N)c(=O)n(C)c1=O 488751623 WFPQZHRCHPMGLF-PXNSSMCTSA-N 436.443 1.958 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497555421 YIJBSQSRXWCJFP-UHFFFAOYSA-N 435.534 1.502 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C[C@H]2CCCO2)c1=O 505698951 FDQOWDPPIPDBJT-QGZVFWFLSA-N 449.536 1.273 30 10 IDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506756044 HXTQHHGBWXGEAP-LJQANCHMSA-N 431.555 1.147 30 10 IDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1F 539853820 QYRKTYVSZIBQSO-UHFFFAOYSA-N 427.479 1.816 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 589326834 REJGBHJNOPYEQW-LJQANCHMSA-N 447.520 1.967 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(F)cc1 603785952 BQMSYISSHAKNNW-UHFFFAOYSA-N 441.459 1.443 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1=O 674477523 DGSXUSCYTXQDKW-UQBPGWFLSA-N 444.491 1.862 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(F)cc2)c1 728527431 PLJQBTYBKJWLEK-GOSISDBHSA-N 447.513 1.891 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(F)(F)F)C1=O 730144488 NRUMZFYUFMGLLV-ZDUSSCGKSA-N 445.467 1.347 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCCNC(=O)c1cccc(Br)c1 742248566 DKFFJYVDYKSASG-HTXNQAPBSA-N 449.305 1.602 30 10 IDEE N#CC1(NC(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCCCC1 746746197 NNJJZDYKKYKCOW-HXUWFJFHSA-N 438.484 1.348 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 747450325 PFHDRMDPZSSIGB-RTBURBONSA-N 429.565 1.159 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(I)ccc1F 762212934 HDAMZUDATHTRMD-SQFISAMPSA-N 429.189 1.687 30 10 IDEE CCOC(Cn1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)nn1)OCC 778447425 SQXHCBASFVHDPB-UHFFFAOYSA-N 426.521 1.965 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)C[C@H](C1)C2=O 778600752 TXMAYVYCNBJKAL-MQVJKMGUSA-N 447.513 1.825 30 10 IDEE C=C(CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N)C(=O)OCC 788805060 QIHRJJHIVJJTPR-UHFFFAOYSA-N 439.563 1.901 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCC2(C)OCCO2)C1=O 790754604 IQCIAJBGWKWLPO-HNNXBMFYSA-N 440.591 1.901 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(OC)nc2)C1 797816915 WZEIPZFOTAGZNM-VHDGCEQUSA-N 434.518 1.890 30 10 IDEE C[C@@H]1[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC(=O)N1Cc1ccccc1 798788190 DKWFFAPMJLPAFZ-RHSMWYFYSA-N 426.498 1.031 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 919048796 RLTISTQBWIMUAG-CQSZACIVSA-N 432.420 1.556 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1c(F)cccc1F 1083932470 ZDKHTTZOCQHHQK-UHFFFAOYSA-N 435.416 1.858 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCS2(=O)=O)c1 1125175570 FWDAKOOKPGWOBG-HNOLQLOCSA-N 427.548 1.795 30 10 IDEE CS(=O)(=O)c1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccc1F 1129018946 FBRVGVJPBOJNTC-INIZCTEOSA-N 444.444 1.945 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)c1 1151437000 HJSPQLGKSNDZRY-MRXNPFEDSA-N 438.513 1.272 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 1167597549 JTERBIYDNQWAFT-UXLLHSPISA-N 449.529 1.080 30 10 IDEE CN1CCCC[C@@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 1196728118 UWXSHRKJNSAIHS-QGZVFWFLSA-N 440.504 1.398 30 10 IDEE C=CCN(C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)[C@H]1CCS(=O)(=O)C1 1208549672 DFMRGUVNWYUDPK-NSHDSACASA-N 444.307 1.987 30 10 IDEE Cc1cc(C[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n(-c2ccccc2)n1 1224443789 ZILZOHOJYLVTQN-WJPUGNRLSA-N 427.530 1.692 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)C1 1233850727 CUXWQGBVEJCYHP-QMTMVMCOSA-N 426.539 1.356 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1253779846 UXJKDABPYSJRIX-AWEZNQCLSA-N 431.917 1.923 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cnn(C)c2)c1 1286308590 KNMSRVFSUNIFMU-UHFFFAOYSA-N 434.504 1.254 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1286314414 NZYOYZAAHITTNU-RDJZCZTQSA-N 449.581 1.842 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1286380634 CFEKKRHVVRNENO-HNAYVOBHSA-N 446.520 1.602 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286414280 UUEGCULSTDATDF-UXHICEINSA-N 426.565 1.535 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(F)(F)C1(OC)CCOCC1 1286458639 AJAIUCGNWYNICA-UHFFFAOYSA-N 436.463 1.652 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1286476770 FOKJHHQWIZOUSZ-SFHVURJKSA-N 447.534 1.395 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnn(C)c2C)CC1 1286484257 KMTRRMMJIPXTCV-UHFFFAOYSA-N 435.532 1.711 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)OC)CC1 1286487648 HEROYWMOIFUYJK-MRXNPFEDSA-N 441.532 1.963 30 10 IDEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 1286615070 FMVQDDMQSHQMDY-HKUYNNGSSA-N 426.521 1.929 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286692091 AFJOZNNJKRRZPG-UHFFFAOYSA-N 428.541 1.749 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1nccnc1C 1286767637 CNEVLBHTLQINRU-UHFFFAOYSA-N 425.493 1.986 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)C1 1286807918 HKXFCTIGACGHIU-AEFFLSMTSA-N 445.545 1.484 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286822643 FKLYSDKGEDDGJB-CVEARBPZSA-N 441.561 1.807 30 10 IDEE C[C@H](Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C)N1CCOCC1 1288679458 ZHTJPZRHTPOUKV-OAHLLOKOSA-N 425.537 1.831 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)CC1 1299275220 XYOCILYBYOBISE-UHFFFAOYSA-N 436.476 1.461 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c(OC)c1 1300208246 DTAWFPFJSNLYDC-GOEBONIOSA-N 433.534 1.984 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1300493463 UQWKRGVURMVVAR-XJKSGUPXSA-N 435.575 1.994 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1300506556 UVRATWXMZMVLKC-UHFFFAOYSA-N 435.532 1.234 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)OC)CC1 1300731283 MZVHQFAUFPYSBS-INIZCTEOSA-N 429.496 1.997 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)CCOC)CC1 1301124751 LACFFNVCRFYVRQ-SFHVURJKSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1ccoc1 1301497611 YSTPVYZXPMSBQY-UHFFFAOYSA-N 433.472 1.724 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1301515644 WHNBYKILWIVBIE-NRFANRHFSA-N 431.468 1.294 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1C(F)(F)C12CCC2 1303836526 NDZLTIFWTJAJKH-SLEUVZQESA-N 432.472 1.766 30 10 IDEE NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1Br 1304200854 QFLYXIJYAMXGPQ-UHFFFAOYSA-N 429.292 1.574 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)n1 1312171375 ONRRJVNVDVYDHF-UHFFFAOYSA-N 446.596 1.301 30 10 IDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)cn1 1315488214 GCNWTLRVLHCXBG-UHFFFAOYSA-N 447.499 1.739 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1316337636 CVAYSKRDCBUBRG-PXNSSMCTSA-N 447.586 1.698 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1316538027 GLLCHVXBQBCTEW-BRWVUGGUSA-N 440.495 1.257 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358874999 HPGDMBRXNNFOBX-YCRNBWNJSA-N 446.596 1.331 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1358915777 OYRDAYZINZMYJN-PMACEKPBSA-N 428.581 1.751 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCC(OC)CC1 1359024287 KBFYYVSHSZCEEQ-XBMUEBEBSA-N 438.594 1.862 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1 1359090525 CEBUDYOVLGEKNO-UAGQMJEPSA-N 427.571 1.078 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@H](C)C(=O)NC 1359295538 FTKYXIUOPXYEES-ZDUSSCGKSA-N 434.928 1.728 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1359304700 GSGVNPRINKYOKW-UHFFFAOYSA-N 446.939 1.871 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cncn2)C1 1359333638 FCRZZPLRWZVLFC-SFHVURJKSA-N 442.549 1.298 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)C1 1360034347 DJUQEKKGCLBRNT-WOJBJXKFSA-N 437.548 1.485 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCCCC1 1360215105 GTOLLQRAUHGBMW-UHFFFAOYSA-N 439.520 1.646 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1443496321 ZBDUFRSJJSDFIY-QTWIXLPOSA-N 438.521 1.146 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1=O 1462100185 XEOJQIOEWGYNNT-DEOSSOPVSA-N 447.495 1.683 30 10 IDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)cc1 1462318074 LELUPBXTDTXOMK-UHFFFAOYSA-N 431.445 1.652 30 10 IDEE C=CC1(CC(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)CN(C(=O)OC(C)(C)C)C1 1464657736 LJKJTIYICWAGNM-UHFFFAOYSA-N 430.505 1.885 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)cc1 1476041762 NVEWDHVUJZBALO-UHFFFAOYSA-N 441.532 1.703 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1503283794 XTESQMQFAPKTEK-YJBOKZPZSA-N 432.550 1.617 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504023496 NFYCGMKFGLONDF-UITZCYDRSA-N 425.493 1.805 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1507575481 GWWWUILDGDFVMF-NRFANRHFSA-N 430.530 1.758 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCCN2CCOCC2)CC1 1507727272 IDNSXXHAGYRAMN-UHFFFAOYSA-N 436.604 1.931 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(CC)cc2)CC1 1507731277 FCHNVCBOILHHKX-NRFANRHFSA-N 441.601 1.741 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC)C(=O)C1 1507751449 IJRWRIXAKRSULZ-UHFFFAOYSA-N 430.534 1.431 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1507966287 WSDAZWYOXMLUOP-UHFFFAOYSA-N 438.536 1.389 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1508090382 NBQKQLBYJNHAQG-UHFFFAOYSA-N 429.569 1.964 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SC)C1 1508092902 SKCANXBDNXJFON-LSDHHAIUSA-N 427.596 1.204 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@@H]2C)C1 1508117416 UFGLXGILJMBKSF-MIZPHKNDSA-N 449.596 1.821 30 10 IDEE Cc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)sc1C 1510419048 DSGWVAFGYNPVRT-HUUCEWRRSA-N 436.563 1.225 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2ccc(C#N)c(F)c2)C1 1528594545 OTFIKLFGFATWQL-FOIQADDNSA-N 437.493 1.595 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1539326014 QNDIPXYEEQPLSG-LJQANCHMSA-N 447.605 1.900 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1539430619 LZGCGMSXPJUSMQ-ZEQRLZLVSA-N 439.560 1.593 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539446352 WZKKJEULEPDNPN-QHAWAJNXSA-N 441.624 1.743 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(C)CCOCC2)CC1 1539469967 VXBLILPDYKYGFY-GOSISDBHSA-N 447.580 1.785 30 10 IDEE N#Cc1cccc(C2(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CCOCC2)c1 1539535828 VPNQCGSKGOQMOD-UHFFFAOYSA-N 445.497 1.608 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)s1 1540533073 KAFQRVFKRKSZAV-GJZGRUSLSA-N 429.608 1.759 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1540861654 ARADTVNGCXFLOR-AWEZNQCLSA-N 433.538 1.061 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](CC)C1 1540905485 SNGOKCKDMDIFRK-HUUCEWRRSA-N 448.636 1.113 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CCOCCCO)cc1 1555989178 BDUKPCHGXHRMDZ-WOJBJXKFSA-N 427.505 1.600 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](N4CCOCC4)CC3)C2=O)cc1 1556569069 NUYFXNTZGOMWRA-AZUAARDMSA-N 439.516 1.477 30 10 IDEE C=CCONC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1556632989 MDFQVJPLPSQLQD-LRDDRELGSA-N 431.942 1.969 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C1CCOCC1)C1(CO)CCC1 1557229204 KYKZXJLKCGLMCD-FQEVSTJZSA-N 449.573 1.579 30 10 IDEE Cn1nccc1CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1560230370 XHZDHGBPNUTMFW-QFIPXVFZSA-N 439.539 1.086 30 10 IDEE CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 1561205070 HMWADNKXXGGNLV-UHFFFAOYSA-N 437.518 1.753 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OCC 1561828309 KEFPAZPCJKZBFM-HNNXBMFYSA-N 436.939 1.480 30 10 IDEE C#CCn1cc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn1 1568548231 CPMRMMSXMFHUES-UHFFFAOYSA-N 435.525 1.894 30 10 IDEE Cc1nnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)n1C 1583247222 DLRUKSVOLMHPHL-HNNXBMFYSA-N 427.896 1.350 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1584348127 PAXFUCYMFHVJBR-UHFFFAOYSA-N 436.534 1.898 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588054316 NKABDOBDGXVLAL-QZTJIDSGSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1588064345 GMRDWUQSRHTDQW-INIZCTEOSA-N 439.488 1.520 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CCC)C1 1589294838 BDVVQZQNJSQXFH-STQMWFEESA-N 436.376 1.802 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1nc(O)c2sccc2n1 1595522247 AEPGUQJPPAYBBG-UHFFFAOYSA-N 436.501 1.989 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)OC(C)(C)C)C1 1595665613 YEQKMKZVJIDJKT-INIZCTEOSA-N 434.541 1.820 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nscc1I 1596093102 JWBDNZYLCOVWRR-VIFPVBQESA-N 440.270 1.760 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1610337941 UUKKIHJLVUVICC-IERDGZPVSA-N 434.541 1.339 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1611676649 AJBIKNYIOXQZFM-JNAXZKDPSA-N 436.582 1.833 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)no1 1613870859 ATSSJETVPPMCNR-INIZCTEOSA-N 441.517 1.628 30 10 IDEE O=C(NCc1ccccc1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1616175091 NPTYKQOPPXSAQK-LEEVSCAKSA-N 441.509 1.535 30 10 IDEE CN(CC1CCC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1618069803 WERIMCNLRXMLKO-HTXNQAPBSA-N 427.509 1.277 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1620010073 WJSWUZBDFGKBPG-MXLIYFDZSA-N 444.536 1.909 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 1620578424 PVZYIAWXGGUTGX-CVDCTZTESA-N 449.596 1.391 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 1623724096 GDAIKHWIBCZTPD-MSOLQXFVSA-N 441.594 1.861 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1 1630819283 ADNHBXZMMWQFEA-GOSISDBHSA-N 443.447 1.787 30 10 IDEE C#Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cn1 1633325054 RAWTWLARYYQOEQ-UHFFFAOYSA-N 427.505 1.493 30 10 IDEE C[C@@H](CC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1635548809 CNQVULVIGQNLGX-HDMKZQKVSA-N 428.514 1.935 30 10 IDEE Cc1cc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)ncc1C#N 1639226799 FYZBNAGMMGVGGB-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 1643253655 MBURZKSJRMENBD-UHFFFAOYSA-N 435.440 1.682 30 10 IDEE COc1ccc(CN(CCO)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1643528020 CQFIIZOVNJYWPE-FQEVSTJZSA-N 436.468 1.793 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1n[nH]c2cnc(Br)cc12 1648561563 VULJNPAHXGMMQV-UHFFFAOYSA-N 449.290 1.788 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(CN4CCOCC4)cn3)C2=O)cc1 1650923253 DWXWUNWDJYIQJO-IBGZPJMESA-N 448.483 1.629 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)CC2)cn1 1668408288 HWFIQTRYZAMYCQ-UHFFFAOYSA-N 444.492 1.887 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)cc2OC)CC1 1672032893 HURRJNAJCVRZDA-UHFFFAOYSA-N 431.312 1.075 30 10 IDEE COC(=O)c1sc2c(c1Br)CN(C(=O)NCCn1cnc(C#N)n1)C2 1682196644 FKIXRGXLCUXCQN-UHFFFAOYSA-N 425.268 1.486 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1689930017 JLJWLKVYGLGYNO-INIZCTEOSA-N 437.566 1.651 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1689930513 SRBCUCNKMIIKQW-PGRDOPGGSA-N 428.558 2.000 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1689990513 PLGAOHZJMUQONF-CVEARBPZSA-N 442.607 1.243 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1690077759 WDHZJQMOLYQZFX-LBPRGKRZSA-N 426.436 1.557 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)nc2ccccc12 1690102862 WPBGCYMCNBLISD-IBGZPJMESA-N 434.500 1.920 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NCC(F)F)CC1 1690131034 RWNVAZIVVAZWJJ-UHFFFAOYSA-N 432.475 1.036 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1690174380 BVJCHZVJSFGOHS-QGZVFWFLSA-N 439.607 1.380 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1690669491 HCVQMFDYMFMYAO-QGZVFWFLSA-N 427.484 1.997 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1690673940 JUABAIYHTXWGTL-UHFFFAOYSA-N 435.532 1.711 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690746719 IDVATATWABDHKJ-WBVHZDCISA-N 436.607 1.276 30 10 IDEE C[C@H](COCc1ccccc1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1692738601 FYHKVGOVQZNHEX-ICSRJNTNSA-N 438.532 1.982 30 10 IDEE CCOC1CC(Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)C#N)(N2CCOCC2)C1 1696182652 CNIUTCHWKKTQLO-CTDOOQEKSA-N 432.569 1.995 30 10 IDEE Cn1nncc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1696886304 FBXIUYVNPCSIQG-FQEVSTJZSA-N 440.533 1.655 30 10 IDEE C#CCCCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1705539055 IENBLPCCAYQMKG-VGSWGCGISA-N 443.552 1.918 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1705540369 XCVDDMOCNOJYQH-NRFANRHFSA-N 436.560 1.875 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C(C)C)N1CCOCC1 1705555848 BWQQMPHCIFAEKR-KRWDZBQOSA-N 430.578 1.696 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705563866 HDSCLLFMQSCXIA-CQSZACIVSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705569503 DGHHWFRTTBCPBN-IBGZPJMESA-N 449.621 1.752 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCS(=O)(=O)CC)CC1 1705633362 PJTATUFKLARASV-KRWDZBQOSA-N 449.552 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCc2cnn(C)n2)CC1 1705649424 XHWTUPXYZQIACW-UHFFFAOYSA-N 433.520 1.067 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705792522 VFXCXWJZMCLYHT-IRXDYDNUSA-N 435.594 1.984 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705838191 GKNBUCGTOFBVBC-OAHLLOKOSA-N 435.550 1.866 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705895859 VKEYMVCKGGDRPN-QGZVFWFLSA-N 432.912 1.242 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705896254 GYEBIZJLIHSASD-KRWDZBQOSA-N 426.521 1.751 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C 1707550904 IAZRMXBFKNRIRT-PKOBYXMFSA-N 445.545 1.637 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710746438 XDQXBEFVRKRCEZ-PVEMMZBWSA-N 444.414 1.109 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712884313 JXRFHDJQQZMMNS-ROUUACIJSA-N 447.490 1.349 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722360802 JTUMPNODTZTFBP-OAHLLOKOSA-N 430.559 1.610 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1722440666 BUSRSTRFUPGLHX-LJQANCHMSA-N 449.559 1.789 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722455265 RZIVADIYCQQNIA-HNNXBMFYSA-N 429.546 1.996 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1722574967 UNYUYNDNLYOFEJ-XAUMDUMWSA-N 439.582 1.629 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1)C1CC1 1722651217 ROMBXDALFMRQIE-LJQANCHMSA-N 447.561 1.714 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722689226 QOKKNRRXHDADAC-OYHNWAKOSA-N 444.511 1.822 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1CCOC1 1723613393 ZJPKUFIFBOREHT-QGZVFWFLSA-N 438.536 1.436 30 10 IDEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1726406134 MLROQQWJQYPSKI-SJORKVTESA-N 427.475 1.416 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1726765914 PFBAACHSAWFDAO-NYHFZMIOSA-N 426.521 1.708 30 10 IDEE CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1729207675 SYCZMQPFPXQTFO-CYBMUJFWSA-N 425.461 1.311 30 10 IDEE COC[C@H](Cn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1730467964 DTFRCXIBUSVYRQ-KRWDZBQOSA-N 428.541 1.447 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1730872971 FAWMHXDGAVLYSE-YJBOKZPZSA-N 428.493 1.072 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740575939 WWLGAFYUAXDPTR-IRXDYDNUSA-N 442.607 1.387 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740625662 OUVFFTRXRJOZQA-RBUKOAKNSA-N 427.530 1.236 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCOCC)CC1 1740700549 CDPCTCLKBTXEHV-UHFFFAOYSA-N 430.553 1.297 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1740773742 CKWQKORCNFIUPL-ZWKOTPCHSA-N 440.614 1.498 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740786372 BCMPFJBKMFFPDC-MRXNPFEDSA-N 425.555 1.120 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740792322 WSOJBFVMBYXEKF-SFHVURJKSA-N 429.525 1.099 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOCC2(CC2)C1 1740953795 RDXBKIXSLWCLOE-UHFFFAOYSA-N 435.326 1.955 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2c[nH]nc2C)C1 1740982566 VDEMQYRNNUHSGT-MSOLQXFVSA-N 434.566 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740990379 SNFCPXWVWIWDOI-YRNRMSPPSA-N 448.549 1.109 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1740996771 RVXYVFXEJFCUKV-GJZGRUSLSA-N 440.599 1.241 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1Cc1ccc(C#N)o1 1741928597 SRUOBHNUCXXPOQ-SCLBCKFNSA-N 436.563 1.735 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 1746733076 DXDSBMQKMLPVSC-MIZPHKNDSA-N 440.548 1.962 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748656026 JZOYAPPSQNKPED-CVEARBPZSA-N 447.561 1.702 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2([S@@](C)=O)CC2)c1 1748692961 UDUDZQQUEAPQGF-AUMHUTNHSA-N 441.557 1.749 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1748751847 NGROBDIIBSCGIA-MRXNPFEDSA-N 432.525 1.326 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCO[C@H]1C 1748912301 BSZCYHLBWCEYSK-KKSFZXQISA-N 446.577 1.546 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCO[C@@H]1C 1748949724 AALJSXIWZSTATO-ACJLOTCBSA-N 438.326 1.662 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCn2cc(Cl)cn2)CC1 1749009482 JOQHIHXJVXLPNG-KRWDZBQOSA-N 445.955 1.688 30 10 IDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)(F)F)CC1 1749297230 BQPMDRASQOSJCN-UHFFFAOYSA-N 426.399 1.841 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749457448 RRLPYEHUYXMITG-QGZVFWFLSA-N 439.520 1.179 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1749557911 ODXOJDWTOSIBKY-GUDVDZBRSA-N 443.596 1.595 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749729551 NCQQYPXKHGKDNS-UTKZUKDTSA-N 447.561 1.715 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)NC2CC2)CCO1 1750386225 CDFKDNVQKUJMEO-CQSZACIVSA-N 448.325 1.823 30 10 IDEE NC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750392958 GJTQVLPLINRZQO-QMWCZEAPSA-N 435.488 1.173 30 10 IDEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CCS(=O)(=O)CC2)o1 1751487282 HTVBIZLSOZMJNX-IBGZPJMESA-N 433.534 1.916 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1760212736 CRCPVLDYKKIWRQ-JOCHJYFZSA-N 439.541 1.290 30 10 IDEE C=CCn1c(N2CCN(c3nc(C)cc(OC)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760513975 LOSYYVCMBUWQER-QFIPXVFZSA-N 443.552 1.938 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)C1 1760543089 MXMVYNYDMUFIDG-DLBZAZTESA-N 435.550 1.809 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760565659 CATLNZJBQORMNS-KBXCAEBGSA-N 427.596 1.062 30 10 IDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761037709 OIHQKLJGCARMMA-SGRLSNSRSA-N 438.536 1.180 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)C 1761425952 FFAJWQIBDMMAPG-SOLBZPMBSA-N 425.541 1.456 30 10 IDEE CCCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1764093485 FEPUMRBNMDEJDX-OAQYLSRUSA-N 447.561 1.905 30 10 IDEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1768061207 VBZGJSKRBGWANL-JMSVASOKSA-N 439.435 1.590 30 10 IDEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1768526061 CHVUFDASHBYXEU-UHFFFAOYSA-N 444.561 1.966 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCC2CCOCC2)cc1 1770740431 GWELIKNMCQCUOD-UHFFFAOYSA-N 445.545 1.780 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCCS(C)(=O)=O)n1Cc1ccc(C#N)o1 1771286360 TXDJIKDTSROQAX-YOEHRIQHSA-N 437.522 1.386 30 10 IDEE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)ON1C(=O)c2ccccc2C1=O 1772790818 HQBWYWFAOUURDJ-UHFFFAOYSA-N 444.465 1.395 30 10 IDEE CN1C(=O)N(C)[C@]2(CCN(C(=O)c3ccc(-n4ncc(C#N)c4C(F)(F)F)cc3)C2)C1=O 1853087856 ZPFYXQSZKDOYOI-IBGZPJMESA-N 446.389 1.871 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)[C@@H]4CCOC4)C3)CC2)cc1 1855640729 XENGUOWPQRHBGN-QZTJIDSGSA-N 431.514 1.371 30 10 IDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)CC1 1855985335 VCSOUEHOXOGSFZ-CABCVRRESA-N 427.402 1.883 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3ccccc3Cl)C(=O)O2)CC1 1856653574 XTTVWVHLMRRMNQ-MRXNPFEDSA-N 425.894 1.795 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c(O)c1 1862752346 XKQCEYDCRGZWFN-SFHVURJKSA-N 441.396 1.720 30 10 IDEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870387224 VHGOVLQRVOSYEQ-UHFFFAOYSA-N 440.544 1.880 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)N2CCCC2)nc1C 1872636931 LFVLNOOKYXLTGR-UHFFFAOYSA-N 435.462 1.360 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987539625 VRLDSKXYVSUJQJ-OAGGEKHMSA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)N(CCO)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2006267298 IVZUKUSZUPJDNM-ZDUSSCGKSA-N 427.361 1.919 30 10 IDEE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1=NO 2108227641 JCIREBHJQGJKEL-VPZZIHKRSA-N 425.482 1.759 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2136173223 QKKJNUOIIABSMV-BFHYXJOUSA-N 426.267 1.600 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2247832672 SKMJRSXRRRIKQK-VHSXEESVSA-N 431.245 1.430 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248443843 RSOUZNXFHCEMBM-GFCCVEGCSA-N 438.359 1.891 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCC1 2255648553 MJVOPVFIZNTJPU-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](O)C1 2255703695 WQOOVYZMLROUST-UONOGXRCSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255818301 JJADDCUVMCIUGF-OAHLLOKOSA-N 436.314 1.945 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2255831560 XRZSLYUNKHOLCX-OKILXGFUSA-N 434.346 1.813 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)nc2)OC1(C)C 2255870100 IBYLKRCNKYXZHG-SFHVURJKSA-N 427.232 1.664 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@H]1NC(=O)C(F)(F)F 2267552226 QUHVTGNITNHDID-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268625221 XQTOUTBVTGMKOD-MRXNPFEDSA-N 447.341 1.371 30 10 IDEE COC(=O)c1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329056072 GALUDQQTJGUAJW-MRXNPFEDSA-N 431.518 1.756 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2337295816 DOUMWFNVSYVHLQ-RRFJBIMHSA-N 446.357 1.705 30 10 IDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2367826495 YYZRJOLORQMXON-IBGZPJMESA-N 434.558 1.709 30 10 IDEE Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N\CCN1CCN(C(=O)C2CC2)CC1 100104968 CUPXIUOKCSYTRD-HMAPJEAMSA-N 426.477 1.355 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 105287674 WXNXUWCZBGJTNA-UHFFFAOYSA-N 425.514 1.700 30 10 IDEE N#Cc1ccc([C@@H]2N[C@](CC(=O)O)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 247647665 LAXWFYRVKMOQEA-KGYLXKDPSA-N 433.420 1.302 30 10 IDEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 410174434 KUXZQIAMPXBAFK-UHFFFAOYSA-N 437.500 1.608 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 461147688 CLCIGUFNVOCVKE-NHCUHLMSSA-N 449.559 1.739 30 10 IDEE COc1ccc(-n2cc(CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)nn2)cc1 482836719 HUFIIBZMHZXWQN-AWEZNQCLSA-N 440.485 1.131 30 10 IDEE CN(C)CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 498045673 HNSQPSTVCWRSHV-UHFFFAOYSA-N 443.529 1.040 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(C3CC3)C(=O)C1)CCCC2 501916485 NKBSCNKHSQORFH-QGZVFWFLSA-N 425.533 1.663 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@](C)(CO)c2ccc(Br)cc2)CC1 511541270 KRAWJSICNCBHFS-ICSRJNTNSA-N 437.382 1.939 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)CC1 512717588 ADBJCJWBICTCEW-UHFFFAOYSA-N 444.561 1.123 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1-c1ccc(F)cc1 519937936 ZEKCUJBBGRCVHX-UHFFFAOYSA-N 445.422 1.889 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 522276381 SEEHCWLTIOFXRN-UHFFFAOYSA-N 441.553 1.353 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 538010065 QGDUVSHNVBTMPE-NRFANRHFSA-N 426.561 1.745 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccc(C)cc1C 540696385 ONWVPGJGGXFNKB-UHFFFAOYSA-N 434.521 1.477 30 10 IDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@H]2C1 555256234 TWBWYODFHSCMGM-QGZVFWFLSA-N 435.532 1.772 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 566884667 AYBBXXKSBSHCML-UHFFFAOYSA-N 435.428 1.803 30 10 IDEE COC(CNC(=O)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1)OC 585673561 HVNMFFXJXGKJSC-OLQQUCHKSA-N 438.440 1.370 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@]3(CCCOC3)C2)CC1 585756351 XLGBAKMCEAGUQV-JOCHJYFZSA-N 425.489 1.957 30 10 IDEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 609001251 UXDJEPZVCOYNNT-OAHLLOKOSA-N 428.518 1.454 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669810671 VYRZSBQMAKGAHT-APWZRJJASA-N 431.585 1.371 30 10 IDEE O=C(NCC#CCNC(=O)[C@@H]1CCCN1c1nccs1)[C@@H]1CCCN1c1nccs1 681340291 FHQLWADQPNSMPV-HOTGVXAUSA-N 444.586 1.473 30 10 IDEE CCOc1ccc(C2(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCOCC2)cc1 732453348 CQHVPIQQNHUBNL-QZQOTICOSA-N 442.516 1.959 30 10 IDEE COc1cc(Br)c(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1OC 733893572 CMIXJCRIXAWQAY-ZCXUNETKSA-N 438.278 1.999 30 10 IDEE COC(=O)c1cccc(COC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1C#N 755190288 QFEKQIXGOAJOBL-KRWDZBQOSA-N 445.472 1.904 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)CC1 769032934 GQXDPXMCYIAYIE-UHFFFAOYSA-N 437.588 1.890 30 10 IDEE C#CCN(C(=O)NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 774194948 KBKMSKRYAQHTLY-ZDUSSCGKSA-N 443.319 1.552 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 775689692 GJCNOXFIJZFQRT-GFCCVEGCSA-N 434.333 1.463 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C#N 784124841 LMQPWECWJLYCOT-KRWDZBQOSA-N 434.481 1.958 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCn2c(S)nc3ccccc3c2=O)n1 790104022 IAPDUDSTAINDPV-UHFFFAOYSA-N 425.514 1.580 30 10 IDEE CCn1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2cnn(CC)c2)cn1 795183860 MJNZFBBOWJLROM-KRWDZBQOSA-N 446.581 1.319 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 796725993 CADYRISCTQNXTL-IBGZPJMESA-N 447.538 1.666 30 10 IDEE COc1ncc(COC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)n1 798563832 GJTTWWLVWKQVJW-INIZCTEOSA-N 432.502 1.990 30 10 IDEE C[C@H](C(=O)OCC(=O)Nc1ccccc1I)n1cnc(C#N)n1 798747784 MJNDICNDQSMOAK-SECBINFHSA-N 425.186 1.497 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1 807934271 FDUCLRPJUCWJNP-QGZVFWFLSA-N 445.549 1.023 30 10 IDEE C[C@@H](CC(=O)OCc1ccccc1S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 810942518 MZXMGNYOYYJLRI-ZDUSSCGKSA-N 436.511 1.651 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N 1084005609 ZDLLBGCEWXKRQR-UHFFFAOYSA-N 447.500 1.113 30 10 IDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2cc(OC)c(OC)c(OC)c2)n1 1084349124 CRYIMWTULRPQOM-UHFFFAOYSA-N 438.466 1.641 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCN3C3CCOCC3)C2=O)cc1 1134307675 QIFYVSVDGLOLRI-RBUKOAKNSA-N 425.489 1.133 30 10 IDEE C/C(=C\C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)CN1CCOCC1 1136199526 CJNDFGNMZHWSSS-DTQAZKPQSA-N 426.496 1.793 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(NC(=O)N4CCOCC4)CC3)n[nH]2)c1C 1142748873 IJKSSBVYXGBTHG-UHFFFAOYSA-N 441.536 1.722 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1170990030 GWBNRSCYDOTCBW-UHFFFAOYSA-N 432.546 1.923 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)n1 1251471723 HYMXDSJDBHQENZ-BQIYRTECSA-N 434.562 1.892 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286392624 IUKTZDWCESMOJD-QRVBRYPASA-N 435.594 1.631 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1286416684 UZDKVMXEGWAITJ-UHFFFAOYSA-N 439.541 1.088 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOC)CC2)CC1 1286490521 MTNGORXNDWYSRS-QGZVFWFLSA-N 428.537 1.012 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286607555 SCAIHZVCWFEFNA-UHFFFAOYSA-N 449.519 1.148 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1286701406 ZMJCMBVMVPEWKX-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286747863 NPUYTKAVZVKRCO-IBGZPJMESA-N 446.558 1.539 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1286786429 RSMGDIWUTQLREL-UHFFFAOYSA-N 426.525 1.363 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1286797235 SLISTDVTRNUUDU-IAGOWNOFSA-N 445.545 1.105 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286822435 KCOQBVDSQIIOPZ-JOCHJYFZSA-N 445.589 1.627 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1286968999 NUECVHBTVCCKCI-KEYYUXOJSA-N 439.476 1.375 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)NCC2CC2)s1 1290393042 NHCFYFYUSQIJTD-CQSZACIVSA-N 429.589 1.183 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)(F)F)CC2)C1=O 1298870541 CNAWRTMBTFBCRQ-HXUWFJFHSA-N 447.465 1.979 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN(C(C)=O)C1 1300323289 YGJGIEKBDOQXPH-RDJZCZTQSA-N 428.562 1.986 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1 1300649754 VMNYHOSIZZMPKC-UHFFFAOYSA-N 435.463 1.373 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSCCCO)CC1 1300691148 PTCRHARCZXEYDX-UHFFFAOYSA-N 429.546 1.545 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(=O)NC 1300754608 CWTILCAWNYINOS-UHFFFAOYSA-N 449.606 1.177 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1300948811 BKJIJOYJIKVHJO-IBGZPJMESA-N 443.596 1.624 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1300980519 JSCPDAOVSAZNPJ-KRWDZBQOSA-N 437.508 1.215 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1301297399 PUJFRFAVKGRBSX-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE CC(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301920091 HPIHMQNKQCPLIZ-UHFFFAOYSA-N 447.547 1.712 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1302241147 GRDZDXOKDBCQJX-NCOADZHNSA-N 440.570 1.022 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)c2ccc(Br)cc2)CC1 1302923935 FWTSCAIBXIGEIB-INIZCTEOSA-N 428.352 1.555 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCc3cn(C(C)(C)C)c(=O)nc3O)ccc2c1=O 1306892737 BJYUCGDXECSBSE-UHFFFAOYSA-N 441.513 1.819 30 10 IDEE CN(C)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1314660252 UHBBOZZQPNXAAC-INIZCTEOSA-N 446.502 1.987 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1315722337 AIDGBYZYPNFYLD-DGEPVRHHSA-N 444.536 1.560 30 10 IDEE C#CCN(C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1)[C@@H]1CCS(=O)(=O)C1 1323406893 CEEGNFIJESNFDD-OFQRWUPVSA-N 426.564 1.407 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCOCCS(C)(=O)=O 1358943519 KVCPTPYCUYQSRT-UHFFFAOYSA-N 426.926 1.738 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358964864 IUJHEYYLQKWZTK-SFGWALBWSA-N 443.573 1.442 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358964931 KGJDGDPCAVRGKB-UXHICEINSA-N 444.557 1.219 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2conc2COC)CC1 1359037570 OHQKKORNXUCLIJ-UHFFFAOYSA-N 427.534 1.572 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCC(=O)NC)nnc1[C@@]1(OC(C)C)CCOC1 1359105272 MCTKYOSJPZKWAU-ZWCUEREDSA-N 435.569 1.872 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359187147 CVYWUERFFHHKND-LSDHHAIUSA-N 441.540 1.363 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359225908 PAWUQZHBDRATRJ-UHFFFAOYSA-N 433.520 1.865 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1359300395 AVMXDOLWKMZNIF-INIZCTEOSA-N 444.584 1.998 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359302208 ZHUGJHDRPPMUIE-CABCVRRESA-N 437.541 1.568 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CCC)C1 1359334425 FFUGYHBZFKFBQL-MRXNPFEDSA-N 425.555 1.007 30 10 IDEE C=CCC[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OCC 1449694442 KXSGUZNJAJAKHX-QGZVFWFLSA-N 432.477 1.891 30 10 IDEE C=CC[S@@](=O)(=NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccccc1 1463269547 GYBLOYWGAXVTDR-NDEPHWFRSA-N 429.483 1.951 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2=O)cc1 1469763105 WCEQIIUOPUUPBZ-YADHBBJMSA-N 448.527 1.649 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)[C@@H](C)O)cc1 1470623967 RBYJWDIVXUGDEV-FOIQADDNSA-N 428.514 1.217 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)C1CCN(C)CC1 1472033937 KTWJYZBKPAMNNO-UHFFFAOYSA-N 437.562 1.318 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 1472400569 KGLXQDWUIYUUTK-IAGOWNOFSA-N 433.530 1.535 30 10 IDEE O=C(NCCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1cc[nH]n1 1478291987 JDKXDICQTUBBMW-YUMQZZPRSA-N 449.302 1.952 30 10 IDEE CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499065923 ZJOZEVJWAJFKSX-IJYGLTAASA-N 443.552 1.498 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(C#N)C1 1503277043 HPDCUMOMJHDRHA-HXUWFJFHSA-N 431.566 1.723 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1505322921 ARMDPGQRMLIKNN-QGZVFWFLSA-N 437.566 1.589 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507574878 CXAVLVJOGDTFQX-AEFFLSMTSA-N 443.529 1.697 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1C(F)(F)C12CCC2)[C@@H]1CCS(=O)(=O)C1 1507636610 BHUCLUQQCURMDL-HUUCEWRRSA-N 428.505 1.877 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCn2ccnc2C1 1507714522 QELYSLKYGLYDEM-HBFSDRIKSA-N 428.537 1.547 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCSC2)CC1 1507717453 DKDMWDQZSLIKKC-QFIPXVFZSA-N 443.573 1.586 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)C(=O)NC)CC1 1507717995 KHQMFAJHOHFXAE-UHFFFAOYSA-N 440.548 1.490 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNC(=O)C(C)C)CC1 1507722884 MVIHKSNWBRHETE-UHFFFAOYSA-N 438.532 1.591 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCCC2)CC1 1507742173 CASRIJJSQPNPHH-UHFFFAOYSA-N 449.559 1.275 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1507791576 NGUJPGBPQOELRM-AQNXPRMDSA-N 444.580 1.848 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1507832093 MBVFJIGVZVJHEP-QGZVFWFLSA-N 434.566 1.683 30 10 IDEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507915012 RTQCTURKOYACJG-UHFFFAOYSA-N 432.569 1.511 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1507958090 ZQIYMKUXQZQXJW-SFHVURJKSA-N 429.525 1.209 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCN1CCCO 1507980105 FCHSXTUDSSDJEZ-FQEVSTJZSA-N 440.596 1.921 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1 1508005955 CTMIVCYWBLSFRH-KBXCAEBGSA-N 441.579 1.294 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1508062596 KWPPQKBJAXRTKJ-SFHVURJKSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1508077975 RTFFJCOYBHXZGX-ZDUSSCGKSA-N 447.337 1.677 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1516829845 DZLYMCRFDLAFOU-IBGZPJMESA-N 445.545 1.945 30 10 IDEE COCCOC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1519384134 UFZPCVXUYHTJMN-UHFFFAOYSA-N 427.505 1.885 30 10 IDEE CSCC[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1520274658 BDPDQTPUBXAIGP-CHWSQXEVSA-N 426.568 1.979 30 10 IDEE C[C@H](C(=O)Nc1nc2n(c1C#N)CCOC2)N1C(=O)c2ccc(Br)cc2C1=O 1537672235 HSGRHCKJAXBWAO-SECBINFHSA-N 444.245 1.671 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539101905 MFRHZRGJZHJNOT-PKOBYXMFSA-N 441.557 1.819 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCOCC1 1539200617 MHSXHTDKRJVLLR-KURKYZTESA-N 432.569 1.839 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539225815 QCYYCADWIBLNJO-GOSISDBHSA-N 436.578 1.301 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1539391854 KEMWTYXBDZZWDV-QGZVFWFLSA-N 447.536 1.437 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539947101 IJSXPWQIAREXIW-HNNXBMFYSA-N 429.529 1.305 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1540873811 KQTDYGPYTMJSIB-UHFFFAOYSA-N 426.521 1.833 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1540874679 OFNQWDBNKJHONS-KRWDZBQOSA-N 426.521 1.560 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)C)c1 1542173195 BLDLHZOLTPEURD-IBGZPJMESA-N 426.521 1.975 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1545695666 AVBVLEYZWVZNID-KGLIPLIRSA-N 429.481 1.039 30 10 IDEE CCCCCC(=O)NC1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1546963341 BEENIKBQXNIQBR-QZQOTICOSA-N 443.552 1.778 30 10 IDEE CCOCc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1Cc1ccc(C#N)o1 1548165826 OUXMOKODRKFMPD-UHFFFAOYSA-N 436.472 1.996 30 10 IDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1555771040 ZCBUNEDYWNDYMF-MRXNPFEDSA-N 440.426 1.989 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C 1557251418 CPCLKLNYHMDAAE-HUBLWGQQSA-N 446.451 1.283 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 1565630395 ZFJISVODLTZIFH-VZCXRCSSSA-N 427.411 1.895 30 10 IDEE COc1ccc([C@H](CO)N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1566969506 LGFZVMKHCPIFML-PMACEKPBSA-N 436.468 1.964 30 10 IDEE CN(C)C(=O)O[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1569298976 PEKGDTPJUWQZTN-SJORKVTESA-N 427.461 1.452 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC2(CCOCC2)CO1 1587516276 PGCDKRRRRHXCOQ-WMZOPIPTSA-N 449.573 1.986 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1587893859 JLBKNNIIECHZMZ-HSZRJFAPSA-N 438.532 1.701 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN2CCCO)CC1 1588858015 WUKBZCKUCRVMCG-HXUWFJFHSA-N 443.621 1.236 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3cc(F)ccc3C2)nnc1[C@]1(OCC)CCOC1 1595602473 LAMBACAQKWSFKY-QFIPXVFZSA-N 429.496 1.934 30 10 IDEE CN(C)c1ccc([C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)N(C)C)cc1 1603554692 IXRRGLOJSGADBN-IBGZPJMESA-N 443.573 1.600 30 10 IDEE CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1614961931 WXXRCVBVEOHXBX-UHFFFAOYSA-N 445.531 1.850 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 1620485171 XXBGAXBHKUSWIW-NWDGAFQWSA-N 425.532 1.098 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)CC1 1622946556 OOWJQNCKSFAHHA-UHFFFAOYSA-N 429.502 1.799 30 10 IDEE CC(=O)Nc1ccc(CN2CCC(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1627975428 XOTULHHBRMEMTK-FCQUAONHSA-N 439.516 1.642 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1632586203 HRZRXMFGSZCPDU-IIAWOOMASA-N 431.493 1.362 30 10 IDEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1635378015 AMONZZWKGPXXPJ-KRWDZBQOSA-N 443.483 1.864 30 10 IDEE C=CC[C@@]1(C(=O)NCc2cn(CCOC)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1636518253 RGZJXWUHMJAPKH-NRFANRHFSA-N 436.509 1.557 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 1637737772 YZBIQCIMFURWGP-KRWDZBQOSA-N 436.530 1.537 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3c(Br)nc4n3CCOC4)C2=O)cc1 1639973895 PFIRHEXAKAOTCI-AWEZNQCLSA-N 444.289 1.578 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cc3csc(Cc4ccc(F)cc4)n3)C2)c(=O)nc1O 1640636758 NYRCGWHCAYUBEE-UHFFFAOYSA-N 425.445 1.633 30 10 IDEE C[C@@H](CC(=O)N[C@@H](C)C(=O)NCCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1640783551 DMMBSTJBSWDHQB-HOTGVXAUSA-N 442.541 1.367 30 10 IDEE CN(C)c1ccc2nnc(CNC(=O)COc3ccc(C#N)c(Br)c3)n2n1 1652600093 RNLIQETVAVSQNO-UHFFFAOYSA-N 430.266 1.520 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(CCS(=O)(=O)c4ccc(C#N)cn4)CC3)n[nH]2)cc1 1654154289 BSRVXUKAMJAXCV-UHFFFAOYSA-N 447.524 1.811 30 10 IDEE Cc1nc(=NC(=O)c2ccc3nc(O)n(CCN(C)C)c3c2)n(-c2ccc(C#N)cc2)[nH]1 1654343881 LOMZNIUJCSXCTP-UHFFFAOYSA-N 430.472 1.739 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CCSC)c2nn[nH]n2)cc1 1658321417 VWZMVJPCMRUTGV-AWEZNQCLSA-N 425.540 1.622 30 10 IDEE N#Cc1ncccc1S(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1663983848 FHPAKTYSNXAREH-NSHDSACASA-N 428.283 1.984 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCO2)O1 1681515118 FVZBZNUDUJNQFH-FHWLQOOXSA-N 428.489 1.616 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 1685718055 WKWZJGCSPNAWBG-UHFFFAOYSA-N 448.574 1.435 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1689850333 ABDHZXJPPZNFBZ-RDJZCZTQSA-N 425.518 1.267 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1689853836 ZESQDUUMJBGWNS-PKOBYXMFSA-N 446.577 1.205 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1689901880 RGKLDPYBXZHUKJ-LJQANCHMSA-N 428.562 1.570 30 10 IDEE C#CCSCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OC(C)C)CCOC1 1690185801 HFGOGUHPRFXMJQ-JOCHJYFZSA-N 447.605 1.792 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)c1ccccc1 1690322151 WVGRVYNAVXDPBO-INIZCTEOSA-N 444.561 1.413 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1692741215 FCYWVHREZXDMBW-VQIMIIECSA-N 447.561 1.882 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1696927762 RJPGFQDFRHBOCI-IIBYNOLFSA-N 430.484 1.676 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1705527312 ZIPSQCNPLDPGCD-UHFFFAOYSA-N 427.505 1.846 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705569093 ZENKAYNTOPMEKV-RXVVDRJESA-N 432.546 1.349 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1705587694 FUZXWGJSLCZHMS-INIZCTEOSA-N 440.470 1.142 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCOCC1 1705611117 QBGZEXIIKIAXKP-UHFFFAOYSA-N 433.516 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705644694 ZHWKRDFXKUXTKC-RBUKOAKNSA-N 444.580 1.443 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1705834158 FHYFPJLOHGPHJV-ZIAGYGMSSA-N 435.550 1.891 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705904985 FDSHOKPOKGTFIF-PXNSSMCTSA-N 442.539 1.467 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C)C2)cc1 1705910319 YXNQBNPBWJARSF-HOTGVXAUSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)OC[C@@H]1C 1705927897 IEWAEGVZNXCXQU-HNNXBMFYSA-N 441.598 1.801 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1706747549 AMRRPLFCSMEVFD-CYBMUJFWSA-N 429.506 1.767 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1C 1711218053 ACKZSRFJTNOWIN-UHFFFAOYSA-N 435.536 1.541 30 10 IDEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1712620838 DQVXJTQSFNHERU-GOSISDBHSA-N 427.509 1.386 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)C1 1712876446 XPUJHJRFTNASLV-LJQANCHMSA-N 433.875 1.718 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cnccn3)n1CCOCC(F)F)C2 1712878469 FQDIWYMXKOXBJA-UHFFFAOYSA-N 428.403 1.552 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722366770 SLRCRPRIJKNIJI-AZUAARDMSA-N 446.573 1.986 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCNS(C)(=O)=O 1722510252 SHMGFPQWKROFHX-ULQDDVLXSA-N 427.571 1.139 30 10 IDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722614254 HSBKRFWCNCGORC-FQEVSTJZSA-N 440.596 1.933 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722617865 NEWLRKXIQAYJLU-RBUKOAKNSA-N 437.610 1.695 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC(=O)N1C 1726722544 IYSGWXYMBRDEHU-ZHRRBRCNSA-N 440.504 1.201 30 10 IDEE CCC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1727954877 WFIRZVFDTXMKKN-RDJZCZTQSA-N 425.493 1.579 30 10 IDEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1728704894 CHIBSVMOIPJCQX-IAGOWNOFSA-N 430.513 1.568 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1730777668 HOYQSLYUJRAQPD-AEFFLSMTSA-N 442.495 1.232 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1C 1730784523 BPKQZXKCOYXDTB-HXOBKFHXSA-N 437.548 1.452 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1740548961 CNHSJDRDRPMTBA-YLJYHZDGSA-N 438.557 1.931 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCCOC)c1 1740561538 BLJWLUNLGNCEBO-UHFFFAOYSA-N 438.532 1.997 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1740570598 GBFWHSCSOSRSAE-QAPCUYQASA-N 444.561 1.878 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 1740817819 VCGQCAWWFDTQIV-UHFFFAOYSA-N 443.552 1.827 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1C 1740960723 YRWUGTSNBWWRMQ-SFHVURJKSA-N 431.562 1.817 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1741001937 DXFFGUXWHJJFHF-ZDUSSCGKSA-N 437.538 1.376 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)CC1 1748283029 BNKUBETUUDMUGS-UHFFFAOYSA-N 439.911 1.828 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC(C)C 1748638549 QZNQGWDIGBFKRM-QGZVFWFLSA-N 446.577 1.933 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1748745425 QWQLKYKSZNSAAS-IBGZPJMESA-N 445.593 1.923 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1748784281 IDHDOFDKMVSXBA-UHFFFAOYSA-N 432.488 1.153 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748810146 SKAZPSAJJWPCDZ-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)NC(C)C)cc1 1749684205 SZLCNINHWWIOGA-GOSISDBHSA-N 426.521 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1749739610 HRBRVWIPQDTDOR-APWZRJJASA-N 428.555 1.146 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750022168 AKSCEAWBRINPEX-MRSWSPKZSA-N 436.488 1.323 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1750214305 AJXYLRBCSINMCX-INIZCTEOSA-N 441.517 1.161 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760095781 YSJBOOMDIZXSKP-CVEARBPZSA-N 425.541 1.375 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)CC)c1 1760127682 IKLMWIXSPUGYKQ-GOSISDBHSA-N 445.545 1.621 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cccn2)C1 1760143439 GRIQTAXIQRCFOE-UFYCRDLUSA-N 428.537 1.908 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)c1ccccc1 1760176077 YRCGEXCMWWRHTK-PKOBYXMFSA-N 431.562 1.874 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1760189920 RPBUWEBCBHVFEG-GOSISDBHSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1760205999 OXLNEXHOQJEIHP-IBGZPJMESA-N 449.540 1.190 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1760209613 FQLHKBPSRXWJRU-MRXNPFEDSA-N 445.545 1.417 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1760214980 KMLLSAVOVPLHDS-UHFFFAOYSA-N 445.545 1.317 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(C)s1 1760253230 ODGNEOQMRXHEQG-UHFFFAOYSA-N 431.547 1.564 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCC(F)F)CC1 1760262121 UNWOOFHRRQWBKM-SFHVURJKSA-N 433.459 1.828 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNS(C)(=O)=O 1760290697 NHRIQJHWCYEEFP-UXHICEINSA-N 439.582 1.250 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760448706 MXENRBQSSDLTDF-UHFFFAOYSA-N 439.568 1.717 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC(N)=O)cc1 1760530900 WPXPISYVIFWVNS-INIZCTEOSA-N 426.521 1.827 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1762809026 HYZHJRXWVAWFDQ-OAQYLSRUSA-N 428.516 1.749 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763223587 JBPYOMNHYMXLJT-SJTPKYKMSA-N 441.536 1.665 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1769118972 DLBHEWQPYOLFCQ-QGZVFWFLSA-N 439.564 1.746 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)C[C@H]1O 1769448453 BGYVMVCJPXJCDK-OJAHFUOMSA-N 439.516 1.728 30 10 IDEE COCCOC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1770125201 JUUOYYWBNDGEJM-UHFFFAOYSA-N 428.493 1.545 30 10 IDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(C)C)[C@H]1CCN(C)C1=O 1849208124 NVJJOWYTJRJZCB-HOTGVXAUSA-N 429.489 1.513 30 10 IDEE Cn1ncc(N2CCC[C@@H](C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)C2)cc1=O 1849283701 DBYGEUQNEKVPSR-LJQANCHMSA-N 436.516 1.581 30 10 IDEE O=C(c1ccc(F)cc1C(F)(F)F)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1851316852 IINCZFTWRMYZBR-UHFFFAOYSA-N 437.337 1.999 30 10 IDEE Cn1c(=O)c(C#N)cn(CCN(C(=O)C2CC2)c2ncc(C(F)(F)F)cc2Cl)c1=O 1851519037 GVCNPEIBQYSESC-UHFFFAOYSA-N 441.797 1.929 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 1851579099 CGESNGILWRZAQZ-SFHVURJKSA-N 437.475 1.811 30 10 IDEE NC(=NOCCC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(OC(F)(F)F)cc1 1853463099 GNSPJLAWEJQZDO-UHFFFAOYSA-N 444.454 1.935 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1=O 1854591295 VIJJYXUXTHBKJX-KRWDZBQOSA-N 437.587 1.950 30 10 IDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CN1C(=O)c2ccccc2C1=O 1861520536 RBBKMVJSBZQJTH-FQEVSTJZSA-N 449.463 1.238 30 10 IDEE C=CCNC1=C(c2ccc(OCC)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863566335 JMFHDURZRGZTNE-UHFFFAOYSA-N 441.509 1.788 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 1870098447 FDCUVHZYEMLSAK-UHFFFAOYSA-N 436.453 1.782 30 10 IDEE C=CCN=c1nc(N2C[C@H](C)O[C@H](C)C2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563727 GYWKIFBDKAKLCH-OKILXGFUSA-N 430.509 1.696 30 10 IDEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1CCOC 1873558152 JUTNJFJGFYZBSU-UHFFFAOYSA-N 428.537 1.006 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCc3ccc(OC)cc3)ncnc21 1875231650 XWGULZXQDUIVIE-UHFFFAOYSA-N 425.489 1.665 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(C#CCN(C)C)CC1 1889900434 DESRGGCFBHMDRI-FQEVSTJZSA-N 434.606 1.596 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1890821945 LQRCVOHYMPFREB-UHFFFAOYSA-N 425.470 1.118 30 10 IDEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](O)C#CC1(S(C)(=O)=O)CC1 1902430458 FGPSUGGFCTVALW-LJQANCHMSA-N 436.574 1.955 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CC(NC(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2243422990 PPHPTNBHFYLCOJ-UHFFFAOYSA-N 438.293 1.527 30 10 IDEE CC(C)(C#CC(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2245013157 KKBVCCZBJADBCE-UHFFFAOYSA-N 425.526 1.781 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)B1OC(C)(C)C(C)(C)O1 2247902787 BTYDASWOGKIPIZ-LSDHHAIUSA-N 446.375 1.464 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2247906703 OZYUJDLDZOIKAM-VHSXEESVSA-N 431.245 1.430 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2255631672 CNVDOKJNVSZBFE-CQSZACIVSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255632379 MIGSGSFZKNXMPB-KWUMSVIQSA-N 438.309 1.834 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1CN(Cc2ccccc2)C1 2255948076 HMZGCLMRAQYKAW-UHFFFAOYSA-N 446.382 1.130 30 10 IDEE CC(C)(C)OC(=O)NC1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2256055138 BNPHYARJNZDBAP-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267133439 BZWRGMSRCWDJOB-HALDLXJZSA-N 446.357 1.657 30 10 IDEE CCn1cc(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267491969 LXIARZQSZSNLGA-FPTDNZKUSA-N 446.357 1.941 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)OC(C)(C)C)(C(N)=O)C1 2267515750 SNHOGKSZRNBARQ-UHFFFAOYSA-N 449.313 1.092 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 2267597343 PJPAJEWJYJKYSR-NRFANRHFSA-N 449.361 1.491 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(O)(C(F)F)C3)cc2Cl)OC1(C)C 2282830975 CNXHIOBAEHWARW-UHFFFAOYSA-N 429.703 1.701 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CCS(=O)CC3)cc2Cl)OC1(C)C 2282839840 BCKHHPXFCALTFC-UHFFFAOYSA-N 439.817 1.890 30 10 IDEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1 2296618218 QEFFXRFALPEOCO-FQEVSTJZSA-N 441.459 1.983 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1C(=O)O 2330710781 DMJCRTIZTMZBLU-UHFFFAOYSA-N 432.506 1.455 30 10 IDEE C=CCc1c(O)nc(S[C@@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)[nH]c1=O 17096431 HZNSVEXENYZHSU-CQSZACIVSA-N 429.454 1.805 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)COc2c(Cl)cccc2Cl)c1=O 30531678 MUQPBRUWVZESFB-LBPRGKRZSA-N 428.272 1.290 30 10 IDEE Cc1ccccc1OC[C@@H](O)Cn1c(N/N=C/c2cccnc2)nc2c1c(=O)[nH]c(=O)n2C 33547914 JTVPXXWZJMPXNN-PZLKWIMZSA-N 449.471 1.013 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCCc2ccccc2)n[nH]1 59887794 MTAISGVPLDHITI-WSDLNYQXSA-N 442.549 1.507 30 10 IDEE CCOc1cccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72443912 XNGMGHIFJILEBZ-JKSUJKDBSA-N 436.472 1.094 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 466578744 TYNZOTSZSIVPHB-HKBOAZHASA-N 430.512 1.942 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC#N)Cc1ccccn1 505206592 BDTSHSWMZRDXTD-UHFFFAOYSA-N 428.514 1.967 30 10 IDEE C=CCN(CC(=O)NC(=O)NCc1cccs1)CC(=O)NC(=O)NCc1cccs1 507337543 OGZWGMRGWPJTPU-UHFFFAOYSA-N 449.558 1.649 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 508884627 JATAIWOYSSFXQU-INIZCTEOSA-N 447.565 1.190 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)C1=O 544366772 VTQPGFVPOAKKIO-GOSISDBHSA-N 448.470 1.973 30 10 IDEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 545514488 INNJSLOXCDXDTH-UHFFFAOYSA-N 441.580 1.412 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)n1 546929876 NFVVVSPXJRFLBK-HNNXBMFYSA-N 426.427 1.869 30 10 IDEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(C)Cc1nnnn1C 549670651 XXEISOSMRORHCS-UHFFFAOYSA-N 445.553 1.143 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 555264818 XQRJYAAPILONAC-ROUUACIJSA-N 433.582 1.881 30 10 IDEE COc1cccc(N2CCC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)c1 564474177 QKSLQTIMIBHCHP-QGZVFWFLSA-N 428.514 1.630 30 10 IDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 572806664 ROKUSWVDPFUESD-UHFFFAOYSA-N 434.547 1.133 30 10 IDEE CC(C)(C)CC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609609692 YZIBATXHZXCGAV-SFHVURJKSA-N 439.516 1.870 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671665537 BHOPBLFBFAWYSU-SFHVURJKSA-N 446.529 1.551 30 10 IDEE Cc1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(C)n1-c1ccc(C#N)cc1 728265465 LZDTXQXYMINODY-UHFFFAOYSA-N 435.528 1.582 30 10 IDEE C#CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 729330757 DNSDWFUIKMYBKT-IAGOWNOFSA-N 441.347 1.665 30 10 IDEE O=C(/C=C/c1ccc(I)o1)NCCN/C(O)=C1/N=CC=CC1=O 732152404 AQJAAZXYGCXJEQ-CTPCVQTOSA-N 427.198 1.540 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)cn1 732562465 BGADRZLHTKWKOH-UHFFFAOYSA-N 433.537 1.636 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1C 733887950 CJWCTNKMEGLOTR-QZQOTICOSA-N 446.529 1.053 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC)c2=O)cn1 735069413 UTDIMYORNBYMSB-UHFFFAOYSA-N 436.493 1.651 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 750048631 MEELTVJHEGWEOB-FQEVSTJZSA-N 434.500 1.834 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@@H](N(C)C(=O)C3CCN(CC#C)CC3)CC2)CC1 754094498 VAJSQXQANCUTGS-HSZRJFAPSA-N 426.605 1.516 30 10 IDEE Cc1cc(C)nc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)n1 758752829 CLYFXZXBAXKJQX-DLBZAZTESA-N 429.525 1.684 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765147020 ZJPFPWRXVCIVGA-AWEZNQCLSA-N 433.493 1.712 30 10 IDEE COCCN(CCNC(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)OC(C)(C)C 767297950 VXXFPIBREXDRMO-UHFFFAOYSA-N 432.525 1.668 30 10 IDEE COc1ccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 767679475 HZHHYPFZFDTOQP-ZDUSSCGKSA-N 432.454 1.668 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767882129 QHWQACYTCGATMQ-UHFFFAOYSA-N 426.498 1.620 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 769814247 HJMIMHUQCFLQJK-PEZBUJJGSA-N 442.291 1.109 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(F)cc2OC)CC1)c1cc[nH]n1 772284946 ROKXWBNKBFGKPM-UHFFFAOYSA-N 433.440 1.190 30 10 IDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](O)c3ccc(C#N)cc3)c2)CC1 780863250 ULLKVDHTMBVOCZ-HXUWFJFHSA-N 428.514 1.557 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 787892599 CICOOLOSAZBYEF-UHFFFAOYSA-N 425.327 1.458 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC(=O)N2C(C)(C)C)cn1 796426077 VWRDTJUVYADHAL-VQIMIIECSA-N 428.493 1.307 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCC3)CC(=O)N2C(C)(C)C)cn1 796824117 OQZMHYUDHOGEHM-RDJZCZTQSA-N 435.550 1.638 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 809895996 CCMABAAEVZBJAT-OALUTQOASA-N 449.577 1.665 30 10 IDEE C=CC[C@@]1(C(=O)NS(=O)(=O)CC(C)(C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 811139307 LSSDFSFTGRQEIA-IBGZPJMESA-N 432.539 1.977 30 10 IDEE N#CCn1cc(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)cn1 811887187 OEVLBNCUCCJIDV-BUAHTRFOSA-N 427.464 1.825 30 10 IDEE Cc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc(S(=O)(=O)N(C)C)c1C 916179151 NWYFBRVNXCKXJE-UHFFFAOYSA-N 435.527 1.685 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(-c3ccccc3C#N)c2=O)cn1 917798487 BYIXSCJHVGMXJI-UHFFFAOYSA-N 437.484 1.890 30 10 IDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(Br)c([N+](=O)[O-])c3)n2C)n(C)c1=O 1084220170 GGBQWWADBVSIJJ-UHFFFAOYSA-N 436.226 1.087 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2cccc(F)c2F)c1=O 1116830374 ORCWIYKSCKDNJO-UHFFFAOYSA-N 448.252 1.700 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)c1 1136546241 ALEDXCQDOHDUNI-HOTGVXAUSA-N 443.447 1.958 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2O)c1 1140273465 WJIVQRFQJFSESC-LSDHHAIUSA-N 429.498 1.977 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)C1=O 1155857878 JATRTUMPHMCZCF-RDJZCZTQSA-N 432.525 1.709 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 1157347611 VDXDUNOPXQLHAS-WMZOPIPTSA-N 426.560 1.321 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCC[C@H]1C#N 1175251371 XDMICNYPYGHKNM-YJBOKZPZSA-N 435.506 1.052 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1286281381 FXGNFSYLTZRKKI-IAGOWNOFSA-N 441.532 1.915 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286322012 CBSVFTYFBQMCIT-MBOZVWFJSA-N 440.500 1.954 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286389487 KXRFHOCLNUEXAX-RTBURBONSA-N 441.557 1.489 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1286391637 FFODOHAOTDOBJF-LSDHHAIUSA-N 432.493 1.776 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1286393519 FDKSIZNLIXABKY-SFHVURJKSA-N 443.529 1.392 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1CC 1286400559 IFAACRHXXWZGPH-UHFFFAOYSA-N 427.310 1.779 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCNC(=O)OC(C)(C)C 1286432751 WOBLSXSSKNUWFZ-UHFFFAOYSA-N 428.537 1.778 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccnc2-n2cccn2)n1 1286470403 VCMSRMAVLAJZRC-UHFFFAOYSA-N 431.504 1.698 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCCN2CCN(CC)CC2)CC1 1286477396 ZMYOYMQQKHGIER-UHFFFAOYSA-N 438.624 1.457 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1286753874 LREJOHKUXCNHFW-UHFFFAOYSA-N 431.518 1.888 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286792080 LTAVYPAMOGXMBP-GOSISDBHSA-N 449.515 1.232 30 10 IDEE C[C@@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1300206124 DKFPMITUUPJGLL-JOCHJYFZSA-N 426.542 1.896 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)NCCC)c1 1300333943 GRPCANMHXZFERL-UHFFFAOYSA-N 445.527 1.846 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1300409916 KZUAGLAHIONLJC-MRXNPFEDSA-N 448.980 1.969 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nc3ccccc3[nH]2)CC1 1300681003 JCIFRFYHMRJYMK-UHFFFAOYSA-N 434.548 1.681 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)N2CCCC2)CC1 1300722068 HCKFPFSASDJOME-RBUKOAKNSA-N 441.580 1.069 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300754049 GMVIAZSFUUIHCW-UHFFFAOYSA-N 436.607 1.416 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1300768455 RNQLOKSGRPCSQR-HNNXBMFYSA-N 431.522 1.036 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CCC)OC 1300805483 DZBZZDLTYVKIPU-SQGPQFPESA-N 439.582 1.418 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301501389 WANHYXMDEAGABP-INIZCTEOSA-N 442.495 1.467 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 1301578472 BQZDUIHCDONAEW-UHFFFAOYSA-N 445.471 1.020 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1301613326 WAKUFRIQTOPRCA-GJZGRUSLSA-N 428.584 1.269 30 10 IDEE CC(F)(F)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1304159241 YYFORWVINSCROY-UHFFFAOYSA-N 440.516 1.758 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304911500 LLCDKNMKMFUODA-NHWLHPCLSA-N 429.525 1.425 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1305249166 IAKBEDUWQABMLI-OPAMFIHVSA-N 425.537 1.709 30 10 IDEE CC[C@@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1305374679 MXBIHMXOVRNXAT-UFOSLELVSA-N 431.541 1.669 30 10 IDEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1309129062 NYVXRGRMNNRESI-UHFFFAOYSA-N 444.484 1.904 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1314552179 MGLBPZMULSQWPF-IBGZPJMESA-N 438.504 1.779 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1314832512 GQBQZOKLJQSVQV-KRWDZBQOSA-N 437.529 1.720 30 10 IDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc(OC)c1OC 1315298702 GIQAHSMTNXNWAV-SZNDQCEHSA-N 444.467 1.691 30 10 IDEE COc1ccc(OCCN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1315540457 DNRUHBNDRYZCTM-FMQUCBEESA-N 426.477 1.637 30 10 IDEE COCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1316039454 AFJQBPYHBKXUGV-GOSISDBHSA-N 448.549 1.156 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1358890125 LMIQSEAYAATFEM-IUODEOHRSA-N 438.579 1.191 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2ccncc2)c1 1358902412 NMBZZWDJIVRKGY-HXUWFJFHSA-N 443.511 1.923 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358960428 DVOGJUWAPBVIRW-MSOLQXFVSA-N 445.545 1.162 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)N2CCOCC2)CC1 1359036859 LSTXTZYMRGNYOO-UHFFFAOYSA-N 436.560 1.181 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C#N)s3)cc2)CC1 1436883987 KHHANLUKZUYAPM-UHFFFAOYSA-N 432.527 1.403 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)s1 1446402632 XHNOYTXDUCSWPA-LBPRGKRZSA-N 439.481 1.424 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCO4)CC2)c1C#N 1450543624 NFEONZHTKCAWHB-YCRPNKLZSA-N 447.561 1.998 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(Cn4cnnc4)CC3)CC2)cc1 1461368292 GCPCEDIKRSRBJQ-UHFFFAOYSA-N 442.545 1.489 30 10 IDEE N#CCCn1cc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(-c2ccncc2)n1 1461911867 FOJVWBPJULWFMI-UHFFFAOYSA-N 449.559 1.795 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1463584544 QPGHZNQPJOTOGM-UHFFFAOYSA-N 444.498 1.119 30 10 IDEE N#C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccc(OCc2ccccc2)cc1 1464770012 CJHZOVXTXDPYJQ-ICSRJNTNSA-N 428.514 1.862 30 10 IDEE Cc1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)cc1B1OC(C)(C)C(C)(C)O1 1466243331 NITOVTIQWHAFPV-UHFFFAOYSA-N 445.350 1.398 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1466509315 IAXSYJWAHFPNNL-KGLIPLIRSA-N 437.497 1.455 30 10 IDEE C#C[C@H](NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1)c1ccc(Br)cc1 1468947617 VMWVHZRCTBLMOZ-KRWDZBQOSA-N 435.322 1.503 30 10 IDEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCC2(C#N)CCOCC2)c1 1475778194 HOZVGLWESJZOJS-UHFFFAOYSA-N 437.337 1.451 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1479623020 NCUNKONAXCMVAL-UHFFFAOYSA-N 443.367 1.030 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1505229998 VUPUYPAQDXABRU-SCYHOBCLSA-N 432.550 1.988 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCN(CC)CC1 1507512637 ICRJBIRFZWWKGP-LJQANCHMSA-N 438.580 1.801 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507631470 PUMUYMWDLYQIRG-IEBWSBKVSA-N 429.546 1.700 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1507913743 AVOSQKOSJSQPAR-CABCVRRESA-N 427.571 1.880 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1508091672 NUXXLDKYCJNGNO-GOSISDBHSA-N 430.553 1.313 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1508134330 CRXNLQDBVIKCSW-UHFFFAOYSA-N 438.598 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1508135008 COJRYHDRRQZTRP-FQEVSTJZSA-N 433.534 1.256 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1514261795 GUAOPODUKIJASL-JOCHJYFZSA-N 426.521 1.663 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1517249280 BLQJWACVHRKPMT-VZCXRCSSSA-N 437.504 1.729 30 10 IDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1517733360 HZXGQZYGFDZHBT-MRXNPFEDSA-N 433.534 1.777 30 10 IDEE C#CC[C@H](CCOC)NC(=O)c1ccc(I)cc1-n1cnnn1 1530722595 DHIAMTKQDILZNS-GFCCVEGCSA-N 425.230 1.425 30 10 IDEE Cc1cc(C#N)cc(C)c1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1533796892 FEHPUDQGFRMYEU-UHFFFAOYSA-N 427.530 1.452 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1nccs1 1533904355 NKFMXRLHEDCWJF-CQSZACIVSA-N 431.495 1.747 30 10 IDEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1538588451 DYUUMOQJEIZQQU-SFHVURJKSA-N 449.485 1.612 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](COC)C1 1539068405 UVTVTCGUXKLDRK-KRWDZBQOSA-N 446.577 1.893 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCCC2=O)CC1 1539459483 HPRWRFKOXUHSCN-UHFFFAOYSA-N 438.580 1.298 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1539557564 XEROLQRHEWBCHD-BBTUJRGHSA-N 433.578 1.959 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCNS(C)(=O)=O 1539632595 SKUZATKYBZCEJA-ZACQAIPSSA-N 427.571 1.486 30 10 IDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1540797185 OTFCTYSCPSWAHG-DOTOQJQBSA-N 425.489 1.733 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(OC)c2)CC1 1540873407 WVNIKQIITVKWPF-UHFFFAOYSA-N 447.543 1.901 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1540879829 PIMSGDTWYHIVQV-FOIQADDNSA-N 448.524 1.943 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)Cc1ccon1 1545185022 PUMPWGYXRHKKBF-ZDUSSCGKSA-N 436.918 1.246 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)N2CCSCC2)C1 1555985894 BKUOBLLWJOZREW-QGZVFWFLSA-N 428.559 1.051 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 1556782716 QKWHSFNDQRNJIM-VQTJNVASSA-N 443.525 1.607 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)s1 1558622133 TYPZFKTTWDGVFE-ZDUSSCGKSA-N 434.499 1.096 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)cc1 1558740717 NGIIBMMPZGIHKY-CYBMUJFWSA-N 437.909 1.309 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(CC)(CC)N[C@H](C)c2ccccc2)CC1 1564058791 UYBQDZSVSDAVLH-LJQANCHMSA-N 449.621 1.691 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587808637 URPJAIMTGUTISH-NVXWUHKLSA-N 432.525 1.182 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588070060 VPXIAQUZJTWACQ-OALUTQOASA-N 444.561 1.112 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1589078239 KJZIDBRSJYGHBM-UHFFFAOYSA-N 431.537 1.669 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOCC)CC1 1589481624 BEFFLTMQOYACDZ-OALUTQOASA-N 434.585 1.556 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1589482809 LWBRNJUPEQZTIG-SCTDSRPQSA-N 444.580 1.893 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589559409 QZLOPRHAVUMGEP-UYAOXDASSA-N 444.580 1.385 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1593844661 DSBXCXKWUCRZKG-HNNXBMFYSA-N 427.900 1.636 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1595516563 HADJKMLHKCGICH-SFHVURJKSA-N 449.559 1.952 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C1 1595730866 ZMSKSHNLSRGTMF-DLBZAZTESA-N 437.522 1.034 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1596830485 BMCKXEHPTDDMHV-ICSRJNTNSA-N 438.580 1.802 30 10 IDEE Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1I 1611246365 XXEJOUMRGYBKGR-VHSXEESVSA-N 445.261 1.812 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)N(C)C1CC1 1611600773 FWEVCNHRAYBCDO-QMHKHESXSA-N 437.548 1.913 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CC[C@H](CO)O3)CC2)c1C#N 1612472277 NCERSDPQUKVTED-ZWKOTPCHSA-N 442.568 1.257 30 10 IDEE C#CCN1CCN(C(=O)COc2c([N+](=O)[O-])cc(Br)cc2[N+](=O)[O-])CC1 1614662904 OMLUCMMEAGPDPZ-UHFFFAOYSA-N 427.211 1.422 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C#N)o2)CC1 1615937760 GQDBAKFQGYVFOW-UHFFFAOYSA-N 449.515 1.725 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616949808 FAWHGOGRNHKWQF-NXDJFEHLSA-N 432.525 1.592 30 10 IDEE COc1cccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1619373403 GLSHPVMJQUIQQQ-CRAIPNDOSA-N 428.493 1.621 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CC1 1619989025 UUURNVJVZPTVMA-OAHLLOKOSA-N 425.555 1.709 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCO)CC2)cc1 1620350922 OPGMXYAJRBWYFX-FQEVSTJZSA-N 437.548 1.586 30 10 IDEE N#C[C@@]1(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C[C@H]2CC[C@H]1C2 1628718090 MPJSSOYXBBMXMG-HTZUNMPGSA-N 430.530 1.841 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 1630655927 RVCUYUGBVDMTRO-VQIMIIECSA-N 442.560 1.948 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1632328403 FKGVPHGRXUNPQJ-UHFFFAOYSA-N 441.488 1.852 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccccc3)cc2Br)CC1 1632624783 ZVRMTBPLFOIMEJ-UHFFFAOYSA-N 444.333 1.532 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1635100027 ISJYDQJTRWKRPB-CKEIUWERSA-N 436.534 1.597 30 10 IDEE C=CC[C@H]1CCN1C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1636893627 JQQCFLLUELXAFD-DZGCQCFKSA-N 433.452 1.795 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(=O)n(CCO)c1 1643436199 GRJMITWBGLHSCL-UHFFFAOYSA-N 432.502 1.078 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N(CCc2ccccc2)Cc2ccccc2)c(=O)n1CCO 1644183288 FFJAADZYEJSUFN-UHFFFAOYSA-N 446.507 1.454 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1645274471 QJZCFMBHKVQUKE-MAUKXSAKSA-N 439.965 1.087 30 10 IDEE C=CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H](C)COC 1645337353 CVBBSCDZYXGGHV-SFHVURJKSA-N 437.562 1.349 30 10 IDEE C=CCn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nnc1-c1cnccn1 1656347127 HKQYQVJUSBFSEV-UHFFFAOYSA-N 443.455 1.492 30 10 IDEE C=CCc1cc(CNS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1OC 1666799241 CSFUZBRKYLPFRX-CQSZACIVSA-N 432.564 1.133 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1671820279 PDOUYJWKBFJSFF-QCUYGVNKSA-N 426.539 1.402 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)CC1 1673555506 UDWGNRLLLAHDKI-UHFFFAOYSA-N 434.497 1.245 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N(CCN2CCOCC2)Cc2ccco2)C1 1686055201 HENKQHZKZLSICE-HKUYNNGSSA-N 447.536 1.882 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C)s1 1689836093 YCVLLVCPWHGXRA-CYBMUJFWSA-N 445.574 1.862 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1689990631 QSTMAXOPBIWZID-JKSUJKDBSA-N 435.575 1.612 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1Cc1nnnn1CC1CC1 1690026818 MJKAWZKHOQKQKS-UHFFFAOYSA-N 430.516 1.992 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(N(C)C)CCSC2)CC1 1690136283 CQACEOPTKIXCIX-JOCHJYFZSA-N 432.638 1.979 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690211382 ZSHPTEHAALHAPS-GHTZIAJQSA-N 445.593 1.413 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690300576 FPICSWFQPQDPLP-HZPDHXFCSA-N 437.570 1.208 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690496684 VMBYEUFBKITJHJ-QFIPXVFZSA-N 433.553 1.881 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNS(=O)(=O)CC 1690523851 QURBZAMVEZXGEC-UHFFFAOYSA-N 445.549 1.236 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690673897 IMTKYLWHAAANDO-GOSISDBHSA-N 445.593 1.237 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1690674782 FIDXMSJNKJVWCE-SFHVURJKSA-N 426.521 1.089 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1690700572 UVSPUEHYFJDISD-MJGOQNOKSA-N 427.505 1.476 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)c(O)c1 1690722421 IWBXUDSIBLMRCD-UHFFFAOYSA-N 444.517 1.687 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690726469 BHOBQDSWDHYKGW-IBGZPJMESA-N 447.609 1.956 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1691011420 XNHNWJZJDVMYFA-OAGGEKHMSA-N 429.529 1.936 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCn2ccnc21 1692781192 CEBCWIJHHLDTCY-RDJZCZTQSA-N 446.581 1.792 30 10 IDEE CCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1694746132 QEHXFXZHHKNKOQ-FVGNFYTDSA-N 443.552 1.056 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C#N)o2)CCO1 1696967797 ISHFUBDYQMRXFC-IBGZPJMESA-N 436.472 1.342 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)cc(OC)c1OC 1697259799 IGVMWQOICZFTLX-MRXNPFEDSA-N 444.492 1.226 30 10 IDEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705520142 JSZCIGIESYWQSJ-SFHVURJKSA-N 436.516 1.116 30 10 IDEE C#CCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1705539311 ONWXLMTZHRFCPD-HSZRJFAPSA-N 435.532 1.937 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705565337 HSYOQEHKSMYKFN-HUUCEWRRSA-N 436.563 1.355 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705567689 ZNMCZQJSNXKXDZ-BRWVUGGUSA-N 430.534 1.177 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OC)CCC(C)CC2)CC1 1705639494 PHANFGZUBXUMAM-LVIWNVNYSA-N 449.621 1.531 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705791947 IVXQMWHJHGPPDZ-YWZLYKJASA-N 437.566 1.813 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1705900706 MVLWKKDSFLQQDN-IRXDYDNUSA-N 440.552 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)CC1 1705936559 TVVBSWIBUMDUTC-INIZCTEOSA-N 430.596 1.407 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1706760099 XXLBRXTVQWNJFQ-WMZOPIPTSA-N 448.531 1.888 30 10 IDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)CC1=O 1710257998 XIQCMXSOJQQQGM-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1711444351 HYVZNLFNUKMTGM-UHFFFAOYSA-N 438.488 1.065 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1712616630 CMNGNOLEOURZCF-HXUWFJFHSA-N 440.548 1.638 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCOC3)n1CCSCCCO)C2 1712879085 PVMJTVMXNNXYLP-HNNXBMFYSA-N 444.561 1.823 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOC1=O 1722295170 UNEQPTNXMQIJFP-HNNXBMFYSA-N 445.549 1.538 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1722363763 VIGZFYMMELVNOZ-SFHVURJKSA-N 427.530 1.098 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@@H]1C 1722391996 BRLSACMZIGNQAS-IBGZPJMESA-N 435.528 1.900 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(C)=O 1722393527 FAXYWFFSEYCWPB-UHFFFAOYSA-N 445.527 1.664 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1722632562 YPCLMPHOWKAHPB-UHFFFAOYSA-N 437.591 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C2CCC1(C)CC2 1722728990 VHEUYAIDLWVTCU-KSTDHSDQSA-N 428.580 1.302 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C2CCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723567201 RFQZNHBHSXASGB-ZPHPHTNESA-N 429.525 1.712 30 10 IDEE C[C@H]1OCC[C@@]12CN(c1nnc(COc3ccc(C#N)cc3)n1CC(=O)N(C)C)CCO2 1726765455 GQABUVQNDQEYBG-OPAMFIHVSA-N 440.504 1.201 30 10 IDEE CC[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726896115 YHZCNFTUUXMNIU-IGGDJGDASA-N 431.541 1.086 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2Cc2ccc(C#N)o2)cn1 1729569658 QLJBPMMDZMPQJI-GFCCVEGCSA-N 448.409 1.696 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCSC1 1729706721 DGZGCFKXRJDSHW-NRFANRHFSA-N 427.578 1.826 30 10 IDEE COC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729806244 AOFFIOBVZFAJGE-QGZVFWFLSA-N 441.511 1.992 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1730838003 AZPYIMBXUSTAQE-KDOFPFPSSA-N 431.534 1.657 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1740626727 YRQRTMPEUWQVNM-QZTJIDSGSA-N 448.618 1.662 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1740672648 OODJOVCALQPBAQ-UHFFFAOYSA-N 434.591 1.102 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740712888 XSPYKGANMQGRBZ-UHFFFAOYSA-N 442.589 1.957 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(C)C)CC1 1740840144 SVDZHSUJZNWJSL-SFHVURJKSA-N 441.598 1.829 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740850091 CPEYDCQRSFHIDE-CVEARBPZSA-N 444.623 1.796 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740959738 DHVRXYUPVUGFAJ-INIZCTEOSA-N 445.955 1.849 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740964125 IPBUGYONBFHXIA-INIZCTEOSA-N 442.520 1.225 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1740985355 FXGYEZJFOCCWKA-HNNXBMFYSA-N 445.536 1.889 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)CC(=O)NC(C)(C)C 1740993261 VLMHMGJULRETOH-UHFFFAOYSA-N 434.566 1.216 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC[C@H](CO)O1 1743752814 BOSBZSJXYFRXFV-ZJPYXAASSA-N 440.552 1.708 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1748075957 FILKWPFPPOBLBU-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCNS(C)(=O)=O 1748646581 AYFCUPUUSBVFAT-GFCCVEGCSA-N 443.371 1.443 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748816348 ZHWNLVBCPCFBGA-ZWKOTPCHSA-N 427.530 1.968 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)N(C)C)CC1 1749001018 DWYNKEXOVBJKQF-GBESFXJTSA-N 445.612 1.754 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1749049641 MVDIQRJLPGNUBL-JOCHJYFZSA-N 428.537 1.985 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1749053815 MLAKZLAJKAPYRT-RDTXWAMCSA-N 445.611 1.094 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749097535 CJNYSWNAEADYME-TZMCWYRMSA-N 437.342 1.633 30 10 IDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1750527525 CXJLOPYONDDOKJ-KGLIPLIRSA-N 425.459 1.994 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1760179442 RNGGKPGBFKXNLG-QGZVFWFLSA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1760181550 XIKJTRUGNLDVHM-INIZCTEOSA-N 446.529 1.933 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cc(CO)nn1 1760222380 JELBNHFEIYNNBR-WOJBJXKFSA-N 439.564 1.834 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1760244551 YXNZHSGWQFUZRR-PTUXOGIPSA-N 448.564 1.743 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccco2)CC1 1760263511 DOFVMEDRCDMLRQ-LQBOVUBWSA-N 429.521 1.258 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1760274473 KEPDGKZWTCJKGO-HNNXBMFYSA-N 432.575 1.763 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](COC)C1 1760516938 YNFIQWBIWPZIPV-HZPDHXFCSA-N 433.484 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(C)C)C1 1760517891 BKAFJETWWCOZOG-SFHVURJKSA-N 437.508 1.084 30 10 IDEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760562755 UWASVQVZQGOOCQ-HNNXBMFYSA-N 442.545 1.020 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1761356934 RNAOCSCYYUGTHY-HOTGVXAUSA-N 439.511 1.608 30 10 IDEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1762319413 FOYVPNJEKBDBAE-QGZVFWFLSA-N 426.525 1.435 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC2(CCOCC2)O1 1763088879 AAPOOBHUQXGJCG-MRXNPFEDSA-N 445.545 1.636 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1766714665 APJOZSIZCXCSNN-OAHLLOKOSA-N 434.522 1.012 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1CCOCC1 1767862534 AZHBBXUJZKNGDX-UHFFFAOYSA-N 441.536 1.460 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1768435731 HEJGRMHFZSGZIN-QGZVFWFLSA-N 430.534 1.308 30 10 IDEE CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cccc(C#N)c1 1768458375 ASRYIQIDVYJFNC-UHFFFAOYSA-N 437.529 1.866 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1771268313 JGOISJYQUKDFEB-GOSISDBHSA-N 426.477 1.511 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1772564684 SCLODPLLCHYXPB-HKUYNNGSSA-N 431.562 1.963 30 10 IDEE COc1cc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1OC 1851874993 HDZKXOUBNSZVAM-UHFFFAOYSA-N 426.473 1.958 30 10 IDEE COc1ccc(N2C[C@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1OC 1852450305 KMEQMUFPFOBBGP-WBVHZDCISA-N 438.440 1.687 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CCS(=O)(=O)c3ccccc3)CC2)nc1 1852477949 WAOSIWSEWHDROD-UHFFFAOYSA-N 428.514 1.482 30 10 IDEE CON(C)C(=O)C1CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1854401243 LMEJBTJUBCUMIV-GOSISDBHSA-N 432.908 1.879 30 10 IDEE C[C@@H]1C(=O)N(C(=O)CCc2ccccc2Br)CCN1S(=O)(=O)CC#N 1854721953 CHEAXHMDNOTILL-GFCCVEGCSA-N 428.308 1.294 30 10 IDEE COCC(=O)N1C(=O)CN(S(=O)(=O)CC#N)[C@@H](c2ccccc2)c2cc(C)ccc21 1857125400 JALRQPTUZFKKLF-NRFANRHFSA-N 427.482 1.759 30 10 IDEE C[C@H](Cn1cnc2c1CCCC2)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889339149 MTSSXTISKJHKPH-OAQYLSRUSA-N 441.620 1.656 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)C[C@@H]3COc4ccccc4O3)CC2)CC1 1889423239 OYBBJKBMZZHERK-OAQYLSRUSA-N 427.545 1.475 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1891961616 QAIUPXUZKZRKPR-INIZCTEOSA-N 449.467 1.747 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2022955968 YNHYYOHYGYCOFY-QXRZNBQRSA-N 426.319 1.069 30 10 IDEE Cn1ncc(Br)c1S(=O)(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2107462893 DFEWHBSWYGGSQY-PEGIJTEDSA-N 432.149 1.895 30 10 IDEE C#CCN(CC(=O)NCCn1cnc(I)c1)C(=O)OC(C)(C)C 2211762855 IUFZSWDDETZNSD-UHFFFAOYSA-N 432.262 1.474 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@@H]2C1 2214625225 ANIPHNIULCZAFJ-JHJVBQTASA-N 425.345 1.384 30 10 IDEE CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2255610269 YGDVEXKDWXOESU-KRWDZBQOSA-N 425.342 1.461 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255633043 VRCQYLSESKNJQN-KRWDZBQOSA-N 426.326 1.340 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)n1 2255650083 XXNWPXSWYHZTLM-AWEZNQCLSA-N 435.330 1.305 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255695074 AQTHNQNYXVLZAA-MIFYACCESA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)nn2)C1 2256627936 ZKEZAQZDHLQBET-UHFFFAOYSA-N 433.318 1.987 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 2267183343 MQNVZOJKWWVSFI-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2267268919 AXULMINHCCMQNN-OLZOCXBDSA-N 449.361 1.536 30 10 IDEE Cn1cc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267530263 XMLUFADCXWSWLJ-HSZRJFAPSA-N 440.353 1.086 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N[C@]3(C(=O)O)CCN(Cc4ccccc4)C3)c2)OC1(C)C 2269049423 HFXXKWPBCFRDRF-HSZRJFAPSA-N 439.321 1.773 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2272651566 DUJIBCLRTPDGDS-JLCFBVMHSA-N 444.341 1.763 30 10 IDEE C=CCN1C(=O)NC(=O)C(=Cc2cc(I)c(OC)c(OC)c2)C1=O 2297561716 VERVHWBOUGAPIA-UHFFFAOYSA-N 442.209 1.956 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2312974584 YKBRJQBEPRPCOF-ZJIFWQFVSA-N 438.330 1.164 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1OC 2330796831 JDJCNDUUDBLVFU-UHFFFAOYSA-N 435.506 1.859 30 10 IDEE C#CCCN1CC[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364178714 SDAATJJCLFQQJK-GOSISDBHSA-N 431.558 1.860 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 108631238 CQWXJXNNVCQAKF-SHUBJWRZSA-N 442.563 1.110 30 10 IDEE C=CCNC(=O)[C@H](C)Oc1c(Br)cc(S(N)(=O)=O)cc1Br 215951100 NWFYSFXFZKIPLF-ZETCQYMHSA-N 442.129 1.929 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 467291638 OKBQVBGWOXXDRD-RQGSJKACSA-N 428.508 1.808 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)CC1 470746762 VMYXPCGQEBOAKV-HNNXBMFYSA-N 430.452 1.275 30 10 IDEE C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506643007 NCBPZCZZCVRFIQ-UXHICEINSA-N 430.597 1.655 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@]2(CCOC2)C1 508788925 FOEXYKSGOYVGSR-DEOSSOPVSA-N 438.576 1.825 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 508857882 QAWXDMPVBHOJLV-VQIMIIECSA-N 444.511 1.840 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)nnc12 518752961 BKZWIURUKQDGCY-KBPBESRZSA-N 440.529 1.435 30 10 IDEE CC[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(S(N)(=O)=O)c1 546175028 CGQCKIIGYPCMAW-SFHVURJKSA-N 428.518 1.584 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@H]2C1 549692940 YBIULFPTXRCFTI-GOSISDBHSA-N 446.577 1.292 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C[C@@H]2CCCO2)cc1 549899229 NKCUWSFXFAGQFR-NRFANRHFSA-N 449.559 1.740 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCOC3)CC2)c(F)c1 550053130 GNDQLNHZWXNCNB-PXNSSMCTSA-N 442.495 1.740 30 10 IDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555254908 WGNITVQFIAYTPS-GOSISDBHSA-N 442.545 1.741 30 10 IDEE Cc1nsc(N2CCN([C@H](C)C(=O)NCCc3ccc4c(c3)OCCO4)CC2)c1C#N 562051992 AORZXGJSDJYKNC-MRXNPFEDSA-N 441.557 1.964 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCc3c(Cl)cccc3C2)cc1 564526387 ZWYIAGRIUYMULB-UHFFFAOYSA-N 432.933 1.664 30 10 IDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)cc1 577921638 NFEFYTCBBNIGAK-UHFFFAOYSA-N 437.566 1.146 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O 588153979 FKFAJVAQZPCQIE-QRQCRPRQSA-N 443.479 1.971 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670229901 KZYMPXXLZGTHQC-HKUYNNGSSA-N 429.569 1.079 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 728534649 RQODCHAUQUDMJG-KRWDZBQOSA-N 427.505 1.338 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730144161 XVFSHROXAIWBOZ-CQSZACIVSA-N 425.942 1.085 30 10 IDEE C[C@H](CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732650403 QGZIVPFCDWIHNR-JRGCBEDISA-N 426.565 1.190 30 10 IDEE Cc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c1NS(C)(=O)=O 732668990 DJCMVZJDZASLLI-MRXNPFEDSA-N 426.564 1.344 30 10 IDEE C=CCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2cnn(CCC)c2)c1=O 735068455 BSIBTOGFFZKOSA-UHFFFAOYSA-N 449.536 1.853 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 746159044 DVODYTROCIOGIJ-VXPUYCOJSA-N 430.892 1.931 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2ccnc(C#N)c2)o1 747021982 GOXFDUIFRLPHDV-OAHLLOKOSA-N 433.442 1.619 30 10 IDEE C#CCN(C(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 747367333 CCDRSKQOYOXCPT-CYBMUJFWSA-N 438.449 1.519 30 10 IDEE C[C@H](OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 767480895 GAOQROCHZXBQKF-NWDGAFQWSA-N 440.543 1.961 30 10 IDEE CN1C(=O)C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(Cl)cc1 768943614 UCMTYBDOVFQFQB-ZWFZENPLSA-N 431.880 1.437 30 10 IDEE C#CCN(C(=O)NCCCC(=O)N[C@@H](C)c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 774249661 JQXJRRHODSPPKV-PKOBYXMFSA-N 449.573 1.875 30 10 IDEE COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 780204945 KXQQZVMKPCDWPY-UHFFFAOYSA-N 427.505 1.072 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 780210606 RDYLFEYHTDVQOA-NRFANRHFSA-N 427.432 1.427 30 10 IDEE C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 783633928 QFQHVQSWQLAXDA-BBRMVZONSA-N 429.454 1.594 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H](O)Cc2cnn(C)c2)c1 786794978 CLKOLLQBEPNMBP-GREXYARLSA-N 433.534 1.555 30 10 IDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)C1CCN(C(=O)N2CCCC2)CC1 787055695 BJPJIBQXOAPCHB-SFHVURJKSA-N 427.461 1.848 30 10 IDEE Cc1cccn2c(=O)c(C(=O)NS(=O)(=O)c3ccc(C#N)c(Br)c3)cnc12 790841630 IQZWCIMXLDHYTA-UHFFFAOYSA-N 447.270 1.756 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 797841584 NOXIXPGYNWPDEU-NHYWBVRUSA-N 440.490 1.919 30 10 IDEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 798362921 NYCQFUJNUZIHAY-HMUKFZCOSA-N 429.590 1.650 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)=NO1 799002669 WCJNLCFHWSRJGA-DLBZAZTESA-N 441.488 1.445 30 10 IDEE C[C@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 799858749 DLDZPWACNPPTBQ-GDBMZVCRSA-N 437.541 1.160 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 805780757 OPAYKSBJFKYYKS-IBGZPJMESA-N 429.546 1.379 30 10 IDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 806367916 GLRZYVVQOBFZCR-UHFFFAOYSA-N 449.916 1.167 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 818638083 BKTXITANRKJPBH-KIMSCTMESA-N 428.464 1.910 30 10 IDEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 857758705 LZRFHGZPSSWSAV-INIZCTEOSA-N 440.566 1.784 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 914468514 DCSZUJSDZCKBEW-UHFFFAOYSA-N 429.477 1.519 30 10 IDEE COc1cccc(C[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)n2nnnc2C)c1 916777888 GJCPYVMKXKQDTK-LJQANCHMSA-N 440.485 1.292 30 10 IDEE Cc1ccc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCOCC1 1132643416 NZPRFZJUPBVHMY-FQEVSTJZSA-N 425.510 1.785 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc2ccc(Br)cc2c(=O)o1 1144429759 YQWXMHYCVVKDPB-BMRADRMJSA-N 432.230 1.812 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1152173330 BECFUPWPKYWROB-KOMQPUFPSA-N 447.538 1.236 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)c1 1175901407 OSSJYVJFKPSRMO-UHFFFAOYSA-N 437.514 1.831 30 10 IDEE COC(=O)c1cn([C@H]2CCCN(C(=O)Nc3ccc(Br)c(C#N)n3)C2)nn1 1219696447 DEPGQXLTNXHAOW-JTQLQIEISA-N 434.254 1.963 30 10 IDEE C#Cc1ccc(CNC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1228656009 QXCWSJUYGAGACS-SFHVURJKSA-N 435.546 1.891 30 10 IDEE CO[C@@H]1CCn2cc(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)nc2C1 1264644727 CXPJKKDHTKCHCP-VKWHMPGMSA-N 431.518 1.909 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)N(C)C)CCCC1 1286369165 GANZVTLQHFIYFD-UHFFFAOYSA-N 447.543 1.910 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1286375964 BFIWPTFHNSTUEL-AWEZNQCLSA-N 425.461 1.337 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286386963 KUFHZDFKUKBDJW-SFHVURJKSA-N 430.578 1.396 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccncc2)CC1 1286485617 RMIGJQUJTMZKHJ-UHFFFAOYSA-N 435.532 1.118 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286534819 DHVYJCRAVDXDNT-MJBXVCDLSA-N 428.331 1.626 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1286726903 KNZJRJTWVKYLFY-CQSZACIVSA-N 430.534 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286815192 NZKUMRYRVPRMMG-SJORKVTESA-N 443.485 1.532 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1286816329 HMVVDEXFBSTZQH-UHFFFAOYSA-N 428.518 1.119 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1287113848 OSFLNJBXPUCIIU-ZPHPHTNESA-N 429.525 1.233 30 10 IDEE CCN(CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1295569347 BOFOVFROPKQJAC-HZPDHXFCSA-N 431.566 1.729 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3c[nH]c(C(=O)N4CCCC4)c3)C2=O)cc1 1296058326 LRHGIDASPBMWCA-KRWDZBQOSA-N 434.456 1.966 30 10 IDEE CN(C)CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1298087953 QIINZNSQBWBASL-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1300363634 FUDMLUYEELTUIQ-LAUBAEHRSA-N 436.578 1.758 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300371336 CBTNLMLYCFGUQZ-OAHLLOKOSA-N 435.575 1.696 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300491989 KOMHPSFMYGZDNK-RDJZCZTQSA-N 447.948 1.558 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300499459 SCHHGHRYHPGCRP-NZQKXSOJSA-N 442.585 1.965 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN(C(C)=O)C1 1300541195 NLNCEXXGNJMYLX-FQEVSTJZSA-N 429.528 1.848 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](CC(C)C)N(C)C)CC1 1300719568 HAEIYNNRNAHCHI-IBGZPJMESA-N 438.580 1.677 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1301273703 VRRVYNICJWXLNS-ZDUSSCGKSA-N 433.538 1.454 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1)C1CC1 1301313910 IYBCAQWMNXCJFI-HNNXBMFYSA-N 438.598 1.834 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cccs2)CC1 1301499258 AOQDQNMSOZOSKB-KRWDZBQOSA-N 430.578 1.858 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2sc(C)nc2C)C1 1301537503 BFNRHXDELYXTLE-DZGCQCFKSA-N 440.595 1.791 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1301555693 YKMIYGCDAXCHOR-KRWDZBQOSA-N 440.529 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301585679 AZRDFQNPZARDAD-INIZCTEOSA-N 447.561 1.145 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCO 1301965490 KUYAZBDGILDRRK-OAHLLOKOSA-N 425.493 1.187 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1302989816 UDXGEKBPQNURNR-KRWDZBQOSA-N 446.458 1.712 30 10 IDEE CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1305843339 DNQGYKKHDVICCI-INIZCTEOSA-N 425.493 1.360 30 10 IDEE CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314453943 UGUJFJYHFNZYSC-SFHVURJKSA-N 438.536 1.639 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358963124 CDXDPXSGEPWKNJ-VQTJNVASSA-N 428.558 1.960 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1 1358993258 JAIWJPAHLVNECY-UHFFFAOYSA-N 429.532 1.697 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCC[C@]3(CCOC3)O2)n1 1359027351 GHKJYHDKQBZCQS-IFMALSPDSA-N 428.537 1.797 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1359037397 HVSSVHRMHJSSNE-QFIPXVFZSA-N 437.592 1.376 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 1359099236 LJNADYHHBLWDKC-QZWWFDLISA-N 438.550 1.161 30 10 IDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1359133142 MHRZEZWFOJVCJJ-LJQANCHMSA-N 438.536 1.774 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NCC)CC1 1359158184 IRFFMTSKFDHWDJ-RDJZCZTQSA-N 426.949 1.013 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1359433418 IGRQWBGLSZVPQR-FDDCHVKYSA-N 435.532 1.648 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1444958832 NWEHOVIYYJWTBX-IRXDYDNUSA-N 439.472 1.155 30 10 IDEE COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1455532627 RULMEBGGGSXHKG-HXPMCKFVSA-N 436.461 1.992 30 10 IDEE C=CCC[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OCC 1468125454 MXGJYAWPAGOXGR-IBGZPJMESA-N 437.562 1.315 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1470347655 QTSJWSQXALVSJW-QXMHVHEDSA-N 441.553 1.857 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCCOC1 1471718310 TZHRSSYRSAUCCR-QFIPXVFZSA-N 429.521 1.923 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@@H]2CCCO2)CCOC1 1502681358 HFJMLPSAOTVGAG-DZFGPLHGSA-N 437.516 1.958 30 10 IDEE CN(C)C(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1503375140 KBVCBNCYVVLLIC-UHFFFAOYSA-N 444.543 1.745 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507571666 JLLIZRRRQGTGMA-UHFFFAOYSA-N 441.580 1.062 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(N2CCCC2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507621816 CTJWNNJOJUBBJY-IBGZPJMESA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1507623800 XHJRDNSUAHVTEK-GOSISDBHSA-N 439.545 1.657 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccc(C)cc2)CC1 1507724627 IIFUYPHFJXCYDJ-UHFFFAOYSA-N 432.532 1.172 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)c2ccccc2F)CC1 1507738515 QIEPPRDZKZKVFZ-UHFFFAOYSA-N 438.507 1.690 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1507848122 UZDZHSQYWBXAOD-IBGZPJMESA-N 432.569 1.294 30 10 IDEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507939324 LYJHOWZKCHLTEQ-ZDUSSCGKSA-N 448.325 1.149 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1)C1CC1 1507992690 HUAVNBYCHXFBQT-MSOLQXFVSA-N 436.626 1.361 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1508076430 DTIQAZUTUWPAGR-SFHVURJKSA-N 440.548 1.496 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508079779 DCEKOOYPDDGHFT-INIZCTEOSA-N 440.552 1.414 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1508137578 NUPLZBIQNLPHNS-MRXNPFEDSA-N 447.561 1.517 30 10 IDEE CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1509431939 TVFQVXOUXJCEQS-RWNPKEDZSA-N 443.552 1.086 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCNS(C)(=O)=O 1519406199 IWETVHWVPALATD-ROUUACIJSA-N 448.549 1.059 30 10 IDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1535553151 RPBIWVZJPOVCON-HNNXBMFYSA-N 430.448 1.967 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539200404 HXNWZRLYGQIUDX-ZWKOTPCHSA-N 447.605 1.967 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539221906 SLRIZZYYCZWUBS-RTBURBONSA-N 444.557 1.878 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1539390080 HYHURBZXGILRBA-OAHLLOKOSA-N 434.422 1.389 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539742521 DVRWAMWGIOXCTK-INIZCTEOSA-N 435.554 1.093 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539760003 RAMZNYIGWYKKAB-XWSJACJDSA-N 433.553 1.557 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccccn2)CC1 1540874602 MBJOXFATKLOXRO-UHFFFAOYSA-N 435.536 1.164 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1540887838 FGPPLUHVGCKGGB-BSBNDGSWSA-N 437.504 1.591 30 10 IDEE C=C[C@H](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1543114301 RAWWWRIARLSQSL-MRXNPFEDSA-N 428.576 1.834 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C1CN(c3ccc(Br)cc3C#N)C1)C2 1556455539 NUBCULFXQAYVAY-MGPUTAFESA-N 448.317 1.795 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)CC2)c1C#N 1556842300 FCZZZFWSYFEAPJ-MRXNPFEDSA-N 434.566 1.523 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccccc2COc2ccccc2)c(=O)n1CCO 1559456354 ABYBYERYZXWOAO-UHFFFAOYSA-N 448.479 1.078 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCS(=O)(=NS(C)(=O)=O)CC1 1559862953 IETOMUNPYPWPIV-AWEZNQCLSA-N 444.604 1.763 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588053851 INCNNLWWPKXQSP-QZTJIDSGSA-N 446.577 1.197 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)COCCO1 1588218873 GEHLKKOGJZIEIV-HSZRJFAPSA-N 432.484 1.862 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588262522 GERNJFXMDUXDRU-IRXDYDNUSA-N 436.582 1.080 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1588266298 OBZVKIHWTCJTSX-DLBZAZTESA-N 430.578 1.799 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588871680 NADNPSFSLMKLER-GBXCKJPGSA-N 439.560 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C)n(C)c2=O)CC1 1588899528 RLEKMNLJSWSGPM-UHFFFAOYSA-N 448.527 1.868 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1595477661 XDIWZGQKVCHLHL-YOEHRIQHSA-N 430.484 1.574 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595602083 DYJPALXAWJUKSG-OAFZBRQQSA-N 430.553 1.214 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(O)nc(C2CC2)n1 1595602843 MHKSPQQNAVCIAA-UHFFFAOYSA-N 443.529 1.975 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1596782530 IZCJFZYZGMWWJF-IRXDYDNUSA-N 426.525 1.511 30 10 IDEE CC(C)(C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1\N=CC=CC1=O 1597079034 VSJKVTBDSFKTJF-ISLYRVAYSA-N 441.536 1.209 30 10 IDEE CC(C)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1598486026 OVXFJLDCKDTFFM-NMQZXRHPSA-N 443.552 1.085 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCNC(=O)C2CC2)CCOC1 1610430975 MUOSQSNODCVYJF-QFIPXVFZSA-N 430.553 1.975 30 10 IDEE Cc1csc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)n1 1612373857 FAKCJNMNBRLASW-ZDUSSCGKSA-N 429.531 1.812 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C[C@H]1C 1615759665 AKIXAWACWNXEMH-HZPDHXFCSA-N 431.566 1.285 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCN(C)C[C@H]3c3cnn(C)c3)c2C#N)C1 1618706353 VNANTMLGZBITLJ-WMZOPIPTSA-N 426.546 1.932 30 10 IDEE COC[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619599627 HYWSEKUQZHAZFO-SFHVURJKSA-N 434.504 1.595 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(F)(F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1619990186 PFSWLYLYMVWUBW-SXXBIRCQSA-N 440.451 1.374 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1623390995 KSIUKLSFJSIANR-AWEZNQCLSA-N 429.564 1.792 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 1623969014 FDEIECRGFWTEEO-UHFFFAOYSA-N 429.292 1.528 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1 1625107762 HASLBWYEMIKYOL-DZGCQCFKSA-N 432.468 1.616 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC#Cc1ccccc1 1629163489 ATJIXEFYWUYGSZ-HXUWFJFHSA-N 428.510 1.884 30 10 IDEE C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)c1ccc(Br)cc1 1630460512 RYOJBGBFYWTRPU-HNNXBMFYSA-N 430.324 1.085 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2)c1cc[nH]n1 1632320800 FPWILFNLHQRJPJ-UHFFFAOYSA-N 442.398 1.562 30 10 IDEE C=CCn1ncc2ccc(NC(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)cc21 1639693403 AOYQOTPXTFYNQK-UHFFFAOYSA-N 447.904 1.892 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(F)(F)C1(O)CCCCC1 1640424153 LMQOTRUUANWICF-UHFFFAOYSA-N 429.489 1.952 30 10 IDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 1641976965 ZJFHTQBGCDHUNH-UHFFFAOYSA-N 435.502 1.291 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(CC3CCC(C#N)CC3)C2)CC1 1642184372 NCCARBAAKPLCEG-UHFFFAOYSA-N 426.583 1.883 30 10 IDEE CCOC(=O)[C@@]1(C)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1643018464 LLEGYAYNVWDSTR-BCPOHWRISA-N 435.521 1.954 30 10 IDEE C=C[C@@H](C)ONC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1644295976 LDOQUZWIKMKHMJ-RISCZKNCSA-N 433.324 1.605 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)CC1 1650846500 ZRKOKRDNCMNZPL-UHFFFAOYSA-N 433.509 1.360 30 10 IDEE CC(C)(C)OC(=O)CNC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2 1652112019 DOGUECJXSZZVLO-UHFFFAOYSA-N 436.512 1.736 30 10 IDEE N#Cc1cc(S(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)ccc1Br 1660993871 AXLJZODCLUJHBY-INIZCTEOSA-N 446.392 1.807 30 10 IDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1669662412 FYJTUXRQOHGDMH-YESZJQIVSA-N 426.560 1.376 30 10 IDEE CNC(=O)Cn1nc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1C 1669890718 CZAPMTDYJIGVHC-UHFFFAOYSA-N 447.503 1.553 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)ccc1OC 1678730611 ADIRGWSYHSKLMH-MRXNPFEDSA-N 436.534 1.696 30 10 IDEE C#C[C@H](NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1682356286 DQFHOSXHPINTRX-GJZGRUSLSA-N 430.324 1.083 30 10 IDEE CC(C)C[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)CC(=O)OC(C)(C)C 1682912905 ZBKFKQDUDDCTKM-AWEZNQCLSA-N 433.509 1.781 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)NCC(=O)NCCN2CCCCCC2)CC1 1687235438 DIBPSFDQMZSXBT-UHFFFAOYSA-N 426.565 1.818 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1689979662 FVFFAFDBVHJLED-KRWDZBQOSA-N 439.651 1.856 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1690019396 HKOFRXGGEHKQBA-ROUUACIJSA-N 445.520 1.075 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690122398 PTKZATOSJWDNIY-KRWDZBQOSA-N 426.487 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1690152724 WBJJGTIQYWJRTA-MOPGFXCFSA-N 430.597 1.901 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690237364 YBDIBJVKMMYMLH-NSHGMRRFSA-N 444.580 1.989 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1690673415 VSCHHJJQAZILBL-UHFFFAOYSA-N 428.468 1.389 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCS2(=O)=O)C1 1690700464 SNTZYLXJOCYAMD-DLBZAZTESA-N 425.555 1.337 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1691493301 CZDHYYRXYNCXKH-VLGSPTGOSA-N 431.541 1.310 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1696502411 SDMSXEBOTUHJHQ-IPMKNSEASA-N 444.561 1.475 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1705477567 PTFYFMOITYIOKV-KBPBESRZSA-N 445.549 1.290 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1705489128 KEVQKUTUVIFEHM-ZDUSSCGKSA-N 431.547 1.541 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1705573397 GDKIHNIVPCOXDK-MRXNPFEDSA-N 446.602 1.081 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOC2=O)cc1 1705587571 AKXOQNMKKBQTIY-UHFFFAOYSA-N 434.500 1.884 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1705647631 IZGBWRACOPLGSG-WSTZPKSXSA-N 442.564 1.256 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1705717878 UGZHSXJPRRXNST-LPHOPBHVSA-N 427.571 1.583 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705737585 VVQTXDHBTPAXKC-LJQANCHMSA-N 440.548 1.800 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCO2)CC1 1705781776 HSCWIEHOJGLCNS-QZTJIDSGSA-N 437.566 1.359 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1705824709 YKJFRPBGDIDKHM-XMSQKQJNSA-N 433.553 1.724 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC(F)(F)F)nc1 1705834010 BOEWDFIICBOKFJ-LBPRGKRZSA-N 448.471 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](COCc2ccccc2)C1 1705901822 XNKNBQDERQVZQE-RBUKOAKNSA-N 438.532 1.575 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705906342 AUDXFMOMOSENGK-IBGZPJMESA-N 440.548 1.820 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(CS(C)(=O)=O)CC2)C1 1705927388 XTTCIJMLWBTENE-SFHVURJKSA-N 431.562 1.870 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1706743978 HVQWASRFIAYHFK-CQSZACIVSA-N 443.537 1.111 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCC[C@H]1C 1712561218 HVNYDLXUULYLTD-VALFRTSSSA-N 432.569 1.730 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1722398471 ZMDPKQDPJIBGJP-IBGZPJMESA-N 439.541 1.338 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCO[C@H]1C 1722427165 QDRZBEOUCYTNRY-XWFZLUIHSA-N 428.489 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)N(C)CC)CC1 1722448466 CLZDIEVZWFNKKX-UHFFFAOYSA-N 436.560 1.621 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(N)=O)CC1 1722462541 VZWZCCPJZWAUIA-GOSISDBHSA-N 427.530 1.859 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1722527528 MJVWUUNNUZTNTQ-UHFFFAOYSA-N 446.596 1.655 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1722689940 BYRFBLPKRBQHJS-CVEARBPZSA-N 425.493 1.233 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722692754 VNATXATYFUXIDA-RXVVDRJESA-N 440.548 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1722697286 JITNPKAAVXJAGM-SFHVURJKSA-N 427.553 1.498 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722705550 DOCOSFMEKKDJQL-OAQYLSRUSA-N 444.467 1.329 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722727353 KVPYQCNRIIGQFG-UHFFFAOYSA-N 449.581 1.504 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H](C)N1CCOCC1 1723562096 FGEOSQZFMMXPQG-KRWDZBQOSA-N 425.537 1.645 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCOc1ccc(F)c(F)c1 1723910834 GEWKNGPQGHAZFS-CHWSQXEVSA-N 442.492 1.984 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(F)cn1 1729068643 AOZIQIRWYZNVNS-HNNXBMFYSA-N 437.483 1.774 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 1740581297 URFKOXRYNXOZFO-UHFFFAOYSA-N 437.548 1.887 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1740752288 VIYPVNLMURAYGT-HZMVEIRTSA-N 441.598 1.873 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740799881 ZFUBOXXXFVFMOG-MHORFTMASA-N 435.525 1.530 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1740802392 KNPSLRWNRCMGRQ-CYBMUJFWSA-N 439.973 1.736 30 10 IDEE C=CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1740881739 PHTALGIFWQSIKX-OAQYLSRUSA-N 429.525 1.483 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740951063 BSQDEZUWGOZYGL-HZPDHXFCSA-N 425.493 1.375 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740993900 FTUXXILTJHZHTH-MSOLQXFVSA-N 435.594 1.859 30 10 IDEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOCCCO)n1 1742326492 ULKSYKCVPWTFST-UHFFFAOYSA-N 435.488 1.583 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1747111177 FHEBDQBFZAYLMU-QFIPXVFZSA-N 442.543 1.842 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1748863841 IXKHJPBLCKGVDS-MSOLQXFVSA-N 443.577 1.434 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1748892592 SFOJWRUTAYXNLC-SFHVURJKSA-N 449.646 1.471 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1748905435 DJQOMBZGNGDTMW-ZDUSSCGKSA-N 427.477 1.705 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1748930003 VPSWSAFJLWMHBT-HNNXBMFYSA-N 442.545 1.583 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1749189181 BNWWDMDQTFSBQM-CVEARBPZSA-N 444.540 1.608 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1749454452 GVBBPJSDIQZMNS-UHFFFAOYSA-N 429.569 1.820 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1749663471 GKHVUEBWSLIMJG-KRWDZBQOSA-N 425.537 1.775 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1750069278 KCHWEURZQKCRKU-INIZCTEOSA-N 438.536 1.366 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2[C@@H]2C[C@H]2CF)C1 1750209734 JUIXHJNBLOXALP-XHSDSOJGSA-N 426.518 1.272 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)N2CCOCC2)CC1 1750389610 DVUCKNVZUDMFTP-UHFFFAOYSA-N 426.496 1.997 30 10 IDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)c1 1751726273 CBZGYJDTMVJUSX-UHFFFAOYSA-N 434.504 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1noc(CC)n1 1760102381 JFOCQUFUIAQZPT-AWEZNQCLSA-N 428.518 1.995 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O 1760103194 AKEFQTPKSGSELL-LBPRGKRZSA-N 426.340 1.715 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1760162784 GLROCEBEBVSQMV-YJBOKZPZSA-N 434.566 1.269 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760187255 CINPABGBLXXEMG-DYESRHJHSA-N 431.562 1.682 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOCC)CC1 1760335835 RGDWAWAGQFJSSR-ICSRJNTNSA-N 429.569 1.818 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCS(=O)CC1 1760516878 XDUXYCKOVRDOFC-MRXNPFEDSA-N 447.561 1.688 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCOC2)C1 1760549189 YJMZARMNRHQHKH-FQEVSTJZSA-N 439.582 1.414 30 10 IDEE C[C@@H]1COCCN1c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1763222146 GRRZPAXCEUCPIX-BFQBXFRASA-N 436.516 1.815 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1769267276 PZYKOUNLGFMCQF-KSSFIOAISA-N 425.461 1.775 30 10 IDEE CO[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1769595562 LGBVDYJIWVEPPU-CABCVRRESA-N 443.474 1.560 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1771350950 GBBUKOWMBHSPCS-YLJYHZDGSA-N 433.509 1.817 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1849644840 IGOWTRCAUCLGPQ-GOSISDBHSA-N 443.504 1.594 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855750532 DVNOSCDVYBMXTJ-HOTGVXAUSA-N 433.530 1.918 30 10 IDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3ncc(Cl)cn3)C2)CC1 1855913578 VNNIKMDSRIAJTC-CQSZACIVSA-N 425.880 1.208 30 10 IDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1=O)CC2 1856524645 IFWFZSBUSNJYOW-RHSMWYFYSA-N 435.933 1.867 30 10 IDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C1)CC2 1857211953 DOPSQGJSJUNJRK-MSOLQXFVSA-N 429.542 1.851 30 10 IDEE COc1ccc(N2C[C@@H](c3nnc(SCC(N)=O)n3/N=C/c3ccco3)CC2=O)cc1 1874199581 RGYULNVMGWYRGY-LKYUAURQSA-N 440.485 1.860 30 10 IDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 1874337954 MCOSCEPWGHESSP-RTYWOJFRSA-N 432.506 1.176 30 10 IDEE CN(C(=O)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1)C1CN(c2nccnc2C#N)C1 1891246115 ZXGOQSVZMGTYAK-PMACEKPBSA-N 449.540 1.238 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1985786960 UUBJECBAOHWDAG-LSDHHAIUSA-N 428.530 1.965 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065457420 WKSVPURVYBVJRK-PBHICJAKSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247918784 MUDKKTRUUYVRKV-LJQANCHMSA-N 441.359 1.448 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1(C)C 2248419637 DULDNZYAWINLAE-WDEREUQCSA-N 438.359 1.747 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)ns2)OC1(C)C 2249491264 PCMHTTIGDVVRBC-UHFFFAOYSA-N 433.261 1.725 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255606210 RFEKGQFIIURAAR-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628966 PEHFASNZTHYTKE-STQMWFEESA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255706799 OFHMTBMWNZTKRH-CQSZACIVSA-N 436.314 1.945 30 10 IDEE C[C@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255841988 LLUMYHNRNIVLDQ-JQWIXIFHSA-N 447.288 1.971 30 10 IDEE Cc1c(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267194515 QGDNRAULGCOHKO-QZTJIDSGSA-N 436.365 1.888 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267519872 JTJQFXJVPGYIIV-FMKPAKJESA-N 446.357 1.942 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2267572085 QRPGKJCWFDZMGH-GXTWGEPZSA-N 443.275 1.853 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 2267605714 PROCEGLQDDKECW-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)n1 2269068074 ARKFMLQAHOVMHQ-KRWDZBQOSA-N 443.309 1.602 30 10 IDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)C1CC2(C1)OCCO2 2295336125 RRYDPGUYOXKRRQ-GFCCVEGCSA-N 444.384 1.670 30 10 IDEE C=CCC1(N[C@]2(C(=O)O)COC[C@@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2306170328 IXLJEIQBSFIKTD-LHSJRXKWSA-N 441.525 1.889 30 10 IDEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329012630 XKSKVIPGRNYKRH-OAHLLOKOSA-N 430.534 1.861 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)C1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 2371347938 GCISHFQLUJMHFK-GOSISDBHSA-N 436.530 1.918 30 10 IDEE COc1ccc(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cc1O 59879262 IWSBNCFFBOZCOE-IFRROFPPSA-N 446.493 1.880 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cn1 59914168 UMVQYOCQLFFKAK-ZVBGSRNCSA-N 443.537 1.628 30 10 IDEE Cc1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1S(=O)(=O)NCC#N 425994917 JBHLJKISLKDZDM-UHFFFAOYSA-N 426.498 1.957 30 10 IDEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc2O1 460770857 NIOVWZUUAGZRPT-SFHVURJKSA-N 439.453 1.806 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)CCc2ccccc2Br)CC1 462112106 PNYAYAOJCNKQSG-UHFFFAOYSA-N 430.368 1.241 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478745003 KERYMDFEDJPMQC-RDJZCZTQSA-N 428.558 1.984 30 10 IDEE CSc1nc(O)c(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1C#N 501890006 XKYPKARITBDTEW-IRXDYDNUSA-N 437.525 1.709 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 506627524 PACFXZFXRZGRHF-UHFFFAOYSA-N 433.512 1.919 30 10 IDEE CCc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)cs1 516828905 SJVOVLJBEBAOCM-UHFFFAOYSA-N 449.561 1.817 30 10 IDEE Cc1ccc(C(=O)N[C@@H](c2nnc3ccccn23)C(C)C)cc1S(=O)(=O)NCC#N 517498037 ORSQGAMTRVSWAP-GOSISDBHSA-N 426.502 1.967 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1=O 523378900 SLYMJYXZVNYOBE-UHFFFAOYSA-N 435.462 1.885 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC(=O)N(CCOc4ccccc4)C3)CC2)n1 544851564 KEIKHSLUZJFSBK-IBGZPJMESA-N 434.500 1.465 30 10 IDEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 549291204 VTQALNPHWZSJDI-QGZVFWFLSA-N 446.577 1.650 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 555239972 CTCSOXMCYVLPDW-DRMAHVMPSA-N 427.571 1.627 30 10 IDEE N#Cc1cc2c(nc1N1CCN(c3ccc4c(=O)n(CCO)cnc4c3)CC1)CCCC2 585568364 GMBRURIVJTWULZ-UHFFFAOYSA-N 430.512 1.861 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 611090360 SXBZJWMGUMYWNT-PMOQBDJRSA-N 432.613 1.882 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3ncccc3c2)c1=O 623010609 JFRMXWDNESETPX-UHFFFAOYSA-N 446.532 1.418 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)CC1 736546062 GUDZVYXHPFGDTA-MSOLQXFVSA-N 432.521 1.696 30 10 IDEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1cn(-c2ccccc2)nn1 760986473 AOVAKIFBPNNRDJ-CABCVRRESA-N 438.513 1.962 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCCNc2ncccc2C#N)C1=O 771308370 XJGGNHDRASIKKN-QFIPXVFZSA-N 436.472 1.266 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCO1 773560023 QFBASLBMQNNGDZ-IAGOWNOFSA-N 445.463 1.902 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NCc1ccc(F)cc1F)C2=O 786558475 CYQQYUZCISKEGW-HFXZKODQSA-N 432.427 1.791 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787596696 ITKUZNJTMFOSHM-OAHLLOKOSA-N 437.518 1.590 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)CC2)cn1 805092390 DNNPRNMVSXBBIK-UHFFFAOYSA-N 439.419 1.965 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCCF)C1=O 812220954 AXGBOCFFVHFBGE-HGNXGAGXSA-N 430.527 1.020 30 10 IDEE COc1ccc(CNC(=S)NN=C(C)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 814734346 ZAVZARZYHNUTDZ-UHFFFAOYSA-N 434.543 1.343 30 10 IDEE CCN(CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(F)cc1)S(C)(=O)=O 917682723 ZDRHXKCFDYOUGG-OAHLLOKOSA-N 444.554 1.565 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccccc1C 917770924 DYBOCZVCFVEBRL-UHFFFAOYSA-N 447.564 1.964 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1130133427 OZLOMSMGDATBRI-LESCRADOSA-N 434.518 1.475 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1C 1135444708 STDDDVNLXQAYKR-UHFFFAOYSA-N 425.463 1.592 30 10 IDEE C#CCN(CC#C)C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1136915726 LJIQDPKXKXZRPJ-JOCHJYFZSA-N 429.476 1.864 30 10 IDEE C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 1141324982 AYNIBXVPKZAXJE-DGUGEYBOSA-N 428.464 1.910 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1144505702 LXEXJCGMUPLOAA-HKUYNNGSSA-N 434.581 1.885 30 10 IDEE Cc1cccnc1OC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1156667625 DGMAUROPLJSBSD-MRXNPFEDSA-N 428.514 1.999 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286323735 LUPDUNFUUIZXKU-OAHLLOKOSA-N 433.534 1.823 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286324487 QSFZXTWWCPNLHT-QGZVFWFLSA-N 436.582 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1C 1286396798 IEDCOBXGSKHUCH-MSOLQXFVSA-N 429.546 1.737 30 10 IDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286544463 IABCSMZFHVUSHB-CQSZACIVSA-N 426.340 1.796 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1286638378 ZWBZPDUWCHQXCC-DLBZAZTESA-N 449.581 1.445 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)OC(C)(C)C)CC1 1286645386 CDCHKZZAQBFVGW-OAHLLOKOSA-N 425.555 1.861 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286792307 UIOTZKYBVNMVKY-INIZCTEOSA-N 428.468 1.109 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)NC(C)C)C1 1286810367 QAMMHBMATSJJOW-IAGOWNOFSA-N 427.571 1.629 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286832841 OXTVDGZDTKBMTB-LJQANCHMSA-N 448.637 1.836 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1287120789 QWTABULFTWJYMF-UHFFFAOYSA-N 440.548 1.957 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1289435959 HJXHZAWLCYCZJI-CSODHUTKSA-N 433.530 1.692 30 10 IDEE C=CC[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C(=O)OCC 1296236577 MKRJDTVTXMZKOV-WCVJEAGWSA-N 444.550 1.281 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C(=O)C(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296640349 CIRHTHYLDSXZOT-JOCHJYFZSA-N 442.520 1.748 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1298781670 FQQMKYVJRMUWEI-HXUWFJFHSA-N 433.534 1.371 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC)c1OC 1300319346 AIWVRITVXWIZIK-OAHLLOKOSA-N 427.505 1.933 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1300664141 NIONHDUUPUWKCI-QFIPXVFZSA-N 449.559 1.666 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1300684242 YNZDDMZZZOISGG-DZFGPLHGSA-N 443.523 1.852 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)CC1 1300689562 YOXHZRIMGGVVHD-HXUWFJFHSA-N 428.518 1.477 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)s2)CC1 1300723267 QUDZYPKIKHIMJD-HNNXBMFYSA-N 446.964 1.958 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300883852 FUSQPISBTQPZLB-XFKSJGNHSA-N 432.569 1.367 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301514238 HFWUCJUHCYGBDE-MBSDFSHPSA-N 441.532 1.852 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1301530032 PCUODMQPZPBHPG-QHCPKHFHSA-N 440.548 1.992 30 10 IDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301531458 MYLDCNIRHMFZKS-UHFFFAOYSA-N 440.548 1.627 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)nc2)C1 1301538218 GHFHSAXTBFRKHH-HIFRSBDPSA-N 440.957 1.766 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CCC)C1 1301556015 FAXZORVZSQEANY-BRSBDYLESA-N 439.582 1.753 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1301607933 UTTCDCSXKVSYIJ-UHFFFAOYSA-N 441.536 1.673 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1302231655 XRCMCKRSCFZXTQ-QIDMFYOTSA-N 441.532 1.989 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCCCCCC3)n2Cc2ccc(C#N)o2)C1 1302487203 ZAJOLVAHUILIPU-SFHVURJKSA-N 448.549 1.894 30 10 IDEE CC1=C(C)CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1304039997 GKURVCNVGYOKCZ-QZQOTICOSA-N 439.520 1.473 30 10 IDEE CNC(=O)CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 1308018311 ATEGCKVAYVNYIV-LJQANCHMSA-N 425.558 1.705 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1314683206 GQOIFJRWDKMUCV-QGZVFWFLSA-N 444.517 1.282 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1358962914 ZATDHUCLMRUCOH-ROUUACIJSA-N 427.530 1.213 30 10 IDEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNS(C)(=O)=O)CC1 1359175458 MFEGBRLIKRREEP-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359181435 RXYAZCPBYLOSSX-MRCUWXFGSA-N 439.520 1.329 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359221630 IKJBFRXMWKPQPH-VGSWGCGISA-N 442.520 1.902 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1359222502 KCEQHVRJSYYFNA-HNNXBMFYSA-N 429.587 1.875 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C)C1CC1 1359251226 FZHNCSIFMMKNKJ-CQSZACIVSA-N 425.555 1.860 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359259358 UFVIUXWQHKWIMG-NQIIRXRSSA-N 432.546 1.872 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(F)cc1 1359292687 VXCPFYYXHUIJCI-ZIAGYGMSSA-N 438.529 1.527 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](CCOC)C1 1359300368 AHEVVNBAKNLCOE-QFBILLFUSA-N 427.505 1.956 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 1359300619 GTJPCCCLPWAEIN-GDBMZVCRSA-N 433.534 1.385 30 10 IDEE C=CCSCCn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1359337232 MJYLRWUXKRLWGT-KRWDZBQOSA-N 443.639 1.952 30 10 IDEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(I)n1 1360122918 DIIVKIYXQONCTC-AWEZNQCLSA-N 435.269 1.875 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 1448228305 OOJVHKQKSHNYBX-UHFFFAOYSA-N 437.537 1.735 30 10 IDEE C#CC1(F)CN(C(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)C1 1455268421 MTYWXWFHJLXILN-UHFFFAOYSA-N 435.500 1.284 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1c1ccnn1C 1458857631 SIRSMBKEYVXVKO-YADHBBJMSA-N 447.499 1.297 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)CC1 1464847227 NKVMJJLABORWLD-UHFFFAOYSA-N 440.610 1.308 30 10 IDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1466318355 UTWZSPZUKVDXDT-ILXRZTDVSA-N 425.482 1.527 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)C2)nc1 1471366079 LPPFOHWWQWQNTQ-LJQANCHMSA-N 442.545 1.659 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)C1 1475667509 MCWDSEDJIGGJGM-QKFKETGDSA-N 434.381 1.838 30 10 IDEE Cc1nnc(N2CCC(OC[C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492821826 WOWOOLRUCMCYST-QBNCKDSPSA-N 430.509 1.135 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H]1C 1494682361 XSQGYXNHEBUGQZ-TYUDHVIVSA-N 432.550 1.639 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1501397173 CRXICKNUAGQPOB-IBGZPJMESA-N 434.497 1.269 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1507630585 CQGDCZKMPYLQIP-HOTGVXAUSA-N 432.575 1.505 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1507633281 FLSMNLDMTKBOEF-SFHVURJKSA-N 444.557 1.923 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507665448 OBIYDGSVVBFTFQ-NRFANRHFSA-N 433.560 1.746 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 1507716994 XOVOMZZSWZJVFV-PMACEKPBSA-N 443.640 1.928 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccco2)N(C)C)CC1 1507741439 SSQROYBVYSPCEY-UYAOXDASSA-N 440.548 1.991 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507838221 MYMWEVNTIPYYCR-INIZCTEOSA-N 440.508 1.971 30 10 IDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507951931 JNVOJHLDSRGVRQ-MRXNPFEDSA-N 432.550 1.577 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1507981613 NZWUSTLEUXEPNV-HNNXBMFYSA-N 444.540 1.795 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21)C1CC1 1507987971 NKNCCHNOFXESPF-CQSZACIVSA-N 445.549 1.799 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1508036631 AKLHCLGOTQVCCB-UHFFFAOYSA-N 448.545 1.932 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)n1 1508040487 VBOXFMVQZKBROH-UHFFFAOYSA-N 438.536 1.597 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCn1cccn1 1510153936 FDDSLJPKHKPRED-MRXNPFEDSA-N 442.549 1.683 30 10 IDEE COCC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1518970552 XYVSLYKIORSVIR-WIYYLYMNSA-N 430.578 1.894 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1nn(C)cc1I 1532869151 JKRIRMDAWUFWJL-UHFFFAOYSA-N 442.217 1.564 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1539218593 BADRFGNUXXRORM-INIZCTEOSA-N 435.550 1.819 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1539239133 IFFJXMMLPHPYSK-HNNXBMFYSA-N 432.525 1.215 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCS(=O)(=O)C1 1539402988 MFABQOSIYDEDCN-OAHLLOKOSA-N 437.953 1.904 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1539405806 MCUGWMQBQCAVQC-GOSISDBHSA-N 441.532 1.523 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)N2CCOCC2)CC1 1539429650 AZDFUPKLDVTVDI-NRFANRHFSA-N 436.560 1.434 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1540041626 BXTMWPOYNWCKGJ-HZPDHXFCSA-N 430.513 1.254 30 10 IDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1C1CCOCC1 1540728487 JHDXSIKXLXMBBO-UHFFFAOYSA-N 443.529 1.561 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540858178 KWOYXDKDLMKWMP-VFNWGFHPSA-N 448.524 1.803 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540870642 ROKPJIVICPZBOS-CYBMUJFWSA-N 439.442 1.710 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1540875517 OJMBMJMMHQYOBW-UHFFFAOYSA-N 445.499 1.150 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC1 1540979996 QUJORIOWCIQPHJ-HXUWFJFHSA-N 438.532 1.928 30 10 IDEE CC(C)(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1541229473 TTXZGMQHMWXEJR-KRWDZBQOSA-N 438.536 1.638 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1541798306 GVPJELBOXKFJGW-XJKSGUPXSA-N 429.912 1.878 30 10 IDEE COCCNC(=O)[C@H](CC(C)C)NC(=O)COc1cccc(Br)c1C#N 1545793899 POGFDBDQICRCDY-HNNXBMFYSA-N 426.311 1.993 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1546091166 KHUCHEFXQZQXHL-YJCBXQLOSA-N 425.493 1.805 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1554349706 GEFNXCOLYSFNMU-HOCLYGCPSA-N 439.442 1.275 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1554375089 ZLVUVIOTPWOZTP-CYBMUJFWSA-N 425.493 1.089 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)C[C@H]1O 1554546142 SFIZCRHMOUAFEL-ALIIGJLFSA-N 439.516 1.728 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CC3CCCC3)n1CCOCCCO)C2 1555987230 CPGVSTKZXHKIRR-UHFFFAOYSA-N 426.521 1.945 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCOCC(F)F)c1 1555988357 YGJHDDCRGPVUKP-MRXNPFEDSA-N 431.447 1.702 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCC[C@@H]1N1CCOCC1 1558300664 VETASEJQEPFVFC-WMZOPIPTSA-N 434.562 1.122 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCC[C@@H]2CCCS2(=O)=O)CC1 1565277919 DBSPYHFRYVBPJE-AWEZNQCLSA-N 433.490 1.605 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(Br)cn(C)c2=O)s1 1566216046 AAHNKUBWANJXOV-UHFFFAOYSA-N 446.348 1.855 30 10 IDEE CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 1569676010 MYMPCRNVTSKPBE-HUUCEWRRSA-N 441.326 1.913 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCN1CCN(c2ncccn2)CC1 1585418222 RSTDMLFIANILDO-IBGZPJMESA-N 444.580 1.802 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 1586493733 DYFOYCCIOFPXJG-UHFFFAOYSA-N 429.586 1.744 30 10 IDEE CN(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1586903787 IZNLINOHCVCFFK-QZTJIDSGSA-N 436.310 1.176 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)[C@@H](C)CCC 1587599193 KZXGCUAVLNKJGB-IRXDYDNUSA-N 435.536 1.931 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1587915835 TWCDGDAAVQXMHA-OAQYLSRUSA-N 447.561 1.345 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588158490 DCROULVVWZSUSS-OALUTQOASA-N 426.565 1.361 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1588228356 DSOKMTZAALZMCI-INIZCTEOSA-N 445.570 1.135 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 1588806080 FUVHCISACGSFIM-QFBILLFUSA-N 426.496 1.591 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC1 1588848994 UJMKAXAMCRWSFH-UHFFFAOYSA-N 429.528 1.427 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCSC2)CC1 1588930542 YQJLRSICLRNFRM-UWJYYQICSA-N 433.578 1.354 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1589577385 BOYFQCXNMFSNSM-OKYOBFRVSA-N 448.568 1.445 30 10 IDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(CC)S(C)(=O)=O)CC1 1594122745 WRVHJJWSLPFRJH-UHFFFAOYSA-N 435.598 1.968 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1595239006 CXCMXLCDVUTRSU-OALUTQOASA-N 443.573 1.899 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1595522988 LSAISKOMHQHHDE-UHFFFAOYSA-N 439.564 1.957 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC(N)=O)CC1 1595789028 MRAGDEKIEFHDDQ-UHFFFAOYSA-N 432.550 1.341 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1595805423 OUYDHILREDTTFS-SFHVURJKSA-N 430.596 1.092 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 1598131968 SMCNILQOXFQVJX-HTZUNMPGSA-N 432.546 1.398 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1ccco1 1602848542 CEKWXDHHVPYZKN-INIZCTEOSA-N 449.519 1.801 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@H](O)C2)c1 1620150145 DZMMPDCUOKOEGD-RYQLBKOJSA-N 445.545 1.628 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC(F)(F)Br)CCN1C1CC1 1620355073 GHMMDLPTSWPDFS-WCQYABFASA-N 431.285 1.946 30 10 IDEE C#CCCN1CCN(C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1627318151 CBYQTCHBQHQTNP-UHFFFAOYSA-N 427.549 1.920 30 10 IDEE N#Cc1c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)nc2n1CCOC2 1627625012 NFXWTOUKOJPILU-UHFFFAOYSA-N 435.531 1.702 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CNC(=O)N2CCCC2)CC1 1628596606 CZSHFCPMNYUVQH-KRWDZBQOSA-N 434.338 1.963 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OCC 1632067412 RJABQWOIHZHGIG-DOTOQJQBSA-N 444.937 1.948 30 10 IDEE CO[C@H]1COCC[C@H]1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1635478722 OQSLQFVKEUTERV-LIRRHRJNSA-N 430.484 1.749 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1636776975 YECKRCCCIBPVJW-DYESRHJHSA-N 449.529 1.058 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(CN2CCNC2=O)cc1 1637714110 JJBLWPSISXZQMK-MRXNPFEDSA-N 434.504 1.294 30 10 IDEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331486 VMIOJIHHJPPVTN-UHFFFAOYSA-N 449.573 1.999 30 10 IDEE Cn1cccc1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1641123220 FWLBPQQKGSLHQY-INIZCTEOSA-N 439.903 1.888 30 10 IDEE CC1(C)C(=O)N[C@H]1C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1641283309 PJQMTPSSCGVAMY-MJGOQNOKSA-N 437.500 1.526 30 10 IDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCN1S(C)(=O)=O 1641450112 SBJLHJPHKOXFBJ-OXJONJSCSA-N 440.566 1.266 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)c1 1642570705 CNCWSTPNBSBFPB-KRWDZBQOSA-N 425.470 1.136 30 10 IDEE Cn1ncc(I)c1Cn1cc(C#N)c(I)n1 1644033549 OVRQYGJFVLXBSX-UHFFFAOYSA-N 438.998 1.746 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1645390877 DINLOWRVHJZEBE-UHFFFAOYSA-N 435.487 1.155 30 10 IDEE CCC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1649642448 OXFYLHNKPUEJHQ-MSOLQXFVSA-N 438.536 1.638 30 10 IDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)C2(NC(=O)C(F)(F)F)CCCC2)C1=O 1652630007 YCMBVJVBWLCVLV-SFHVURJKSA-N 436.390 1.886 30 10 IDEE Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N 1652729248 FRDLLNCSSIHRKR-UHFFFAOYSA-N 434.543 1.021 30 10 IDEE C=CCn1cc(CNC(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)nn1 1683483389 YIHLYXKAJNXZMM-HNNXBMFYSA-N 428.497 1.551 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)n1 1687389548 WRSHDWJDTHOVOO-GOSISDBHSA-N 431.537 1.771 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1689907561 CSSYZUSQRRQFAJ-GOSISDBHSA-N 426.565 1.962 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1689908029 UPMUSVJVIMPSGQ-MRXNPFEDSA-N 428.541 1.658 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689994284 VMKALDYPNGDWPM-MRXNPFEDSA-N 439.488 1.172 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1690101134 PGZMDIQSEDWHGZ-SFHVURJKSA-N 449.559 1.620 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1690114618 ANLPBUJSPHRCDB-RBUKOAKNSA-N 426.477 1.148 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCS(C)(=O)=O)CC1 1690133872 XBLMQPWSCPVXLX-UHFFFAOYSA-N 435.525 1.186 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC2(O)CCOCC2)CC1 1690139233 FARDEVAGMOTNAJ-UHFFFAOYSA-N 441.532 1.744 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCOC)CC1 1690167730 OGJOGEGQVIVEAQ-UHFFFAOYSA-N 430.578 1.629 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690310105 UECUNTJKIGCICW-GOSISDBHSA-N 445.568 1.550 30 10 IDEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690317292 XWBVRZNPOUOWRM-UHFFFAOYSA-N 433.578 1.738 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690506439 NUQIYDSZAXJZIK-UHFFFAOYSA-N 428.537 1.941 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1690528314 ZJLVJYKGGZRNLC-KRWDZBQOSA-N 448.549 1.262 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1692541961 CKQCCSWXNUSMGA-ROUUACIJSA-N 441.536 1.965 30 10 IDEE CC(C)Oc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cn1 1692589297 HMBFGRFNHITNEK-QGZVFWFLSA-N 448.487 1.885 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1695508311 VQRSTAMQHBIWOX-JOCHJYFZSA-N 440.504 1.203 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1705495879 XCSBATNOPBISKK-ICSRJNTNSA-N 445.589 1.928 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705572328 XSQFXTGBCULJEV-PKOBYXMFSA-N 430.530 1.813 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1705700752 XYHQCSYWLWLEPA-SJLPKXTDSA-N 434.566 1.615 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705708077 XBULRKCOFXMAOI-ZWCUEREDSA-N 433.553 1.578 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1705794455 JEHOACOGVSVGRD-UHFFFAOYSA-N 431.585 1.213 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1705829363 OODPKSUSEMPNCC-MRXNPFEDSA-N 431.566 1.995 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(C)=O)CC1 1705908710 ULHWLQBXPNWDTD-UHFFFAOYSA-N 442.520 1.227 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C3CC3)C2=O)CCOC1 1706068640 NUQPATIVMGLISF-NPFVIJTESA-N 430.553 1.925 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC1=O 1712479186 SSQLSTSDILFOOY-LJQANCHMSA-N 438.532 1.927 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722342143 SLRMVZZBLBSZRC-OALUTQOASA-N 430.553 1.753 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1722436390 FKWKKISQSNQTBB-ZCNNSNEGSA-N 427.597 1.352 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H]2C[C@H]1CO2 1722705663 GSECZKBCPPOWJT-IRXDYDNUSA-N 427.505 1.926 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCSC1 1729074095 AOTXFRHFJIOIHT-JOCHJYFZSA-N 442.589 1.876 30 10 IDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1729079703 TUKJAHSDUUGYBX-OAQYLSRUSA-N 440.548 1.800 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)C[C@H]1O 1729782666 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437.504 1.647 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C2CC2)C1 1741233651 YUPNVQSFEJPOSL-RPWDQDSNSA-N 446.552 1.939 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1741698785 HJKSWBJSCSMBGZ-SFHVURJKSA-N 436.520 1.382 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1741994230 NWFUJWQUUHIJDK-UIBIWLFHSA-N 430.553 1.840 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1746972750 FUUSKJDTTNTORC-YGCDDZCOSA-N 439.520 1.815 30 10 IDEE CCOCc1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1747254180 SKOTUKCTVWBPEY-UNEBPCJRSA-N 444.536 1.594 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CCCO 1748784143 CMXVQRDVPSYCRI-QGZVFWFLSA-N 445.593 1.154 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1748809330 SERRRCSDBFDYKJ-OXJNMPFZSA-N 434.518 1.279 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1749129871 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IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCOCCS(C)(=O)=O)n1 1762436136 COQFUERVFXSKCN-UHFFFAOYSA-N 449.581 1.331 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1763350394 ITXPNPYFLYQHJW-HTAPYJJXSA-N 443.552 1.756 30 10 IDEE CN(C)C(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CC#N)CC1 1766874852 HUTTXJPSJXPVJC-UHFFFAOYSA-N 444.565 1.456 30 10 IDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCCNC(=O)c2cccc(O)c2)cn1 1767450849 KVVOVAWBCZYPKL-UHFFFAOYSA-N 434.504 1.944 30 10 IDEE CNC(=O)CCn1c(CCOc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767812073 IUAQHMMNRZOHCW-UHFFFAOYSA-N 447.499 1.571 30 10 IDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1769658879 HLDGSKDHQQNFJE-UHFFFAOYSA-N 434.504 1.830 30 10 IDEE COCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1770152956 KXZVKRDMRNLWFW-UHFFFAOYSA-N 441.536 1.278 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1770344749 YVENKKJMKDXQDG-UHFFFAOYSA-N 441.517 1.249 30 10 IDEE 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Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267599699 UGDCFIFWOQPKGE-PBHICJAKSA-N 449.357 1.282 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300306361 WCPJKCVLMBGQAD-LJQANCHMSA-N 441.359 1.448 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2312859751 FMTAZDBFQCXYPQ-CFVMTHIKSA-N 432.330 1.837 30 10 IDEE CO[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)[C@@H]2COC[C@@H]21 2355241396 ZLGRXPSZAPLPNG-CFVMTHIKSA-N 425.132 1.993 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)n(-c2ccccc2)c1C 11329929 LTAZXVALVMQKLK-UHFFFAOYSA-N 437.456 1.778 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccncc1 21324414 LTCJQTGZMFXADY-SRZZPIQSSA-N 427.450 1.862 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C1=O 57651535 MHLZWUWJJDVOPL-UHFFFAOYSA-N 427.244 1.367 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCCOC 254877787 HKPGCUNFABGUBF-UHFFFAOYSA-N 449.479 1.353 30 10 IDEE CCOC(=O)c1c(NC(=O)N2C[C@H](CC)O[C@]3(CCOC3)C2)c(C#N)cn1CCOC 432416837 IVYHEOPXMVVJJZ-HRAATJIYSA-N 434.493 1.985 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCc1ccc2ccccc2n1 460605200 IWUCIENAIAHJKP-UHFFFAOYSA-N 425.452 2.293 30 10 IDEE CCOC(=O)c1cnc(N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)s1 474561994 RHFHAUSMEWLRSN-UHFFFAOYSA-N 427.486 1.270 30 10 IDEE COC(=O)C[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 476759853 WZFLIEACAXGAJO-QKKBWIMNSA-N 447.488 1.959 30 10 IDEE CC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 478374092 HCPNFDHHUBYYDZ-JBYIUTFZSA-N 426.473 1.560 30 10 IDEE N#Cc1csc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC3CCCCC3)c2=O)c1 481040064 QORWHTQZZRMNEU-UHFFFAOYSA-N 441.578 1.880 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 488630796 WHWCJQMNLCCGCJ-WBVHZDCISA-N 426.473 1.953 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 508464017 KDUUNCNSIRMCIS-KRWDZBQOSA-N 447.561 1.983 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@H]1CCCO1 518231047 XNTCJXSLUUMEMQ-QGZVFWFLSA-N 448.548 1.665 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCOC1 555521267 RQZIOYRDJFZGBB-ROUUACIJSA-N 441.536 1.632 30 10 IDEE C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1n1ccnc1 558055760 FUKJLEYHUOFDPC-NSISKUIASA-N 434.500 1.082 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 573856969 KCBRKEMXAYLNNK-UHFFFAOYSA-N 437.566 1.761 30 10 IDEE Cc1nc(O)n(C)c(=O)c1CCc1nnc(SCC(=O)Nc2cccc(C#N)c2)o1 585191549 VJFHPTONIHOIOE-UHFFFAOYSA-N 426.458 1.565 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)c(F)c1 586824775 KMPNHYQQYMBFAJ-FQEVSTJZSA-N 428.439 1.642 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 590973062 WGKOKPYBFCNGQQ-UHFFFAOYSA-N 434.496 1.995 30 10 IDEE O=C(NCCCN1CCCS1(=O)=O)C(=O)Nc1ccccc1C#Cc1ccccc1 673783316 MGWXUOPUGVEBJW-UHFFFAOYSA-N 425.510 1.567 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C#N)nc1 734602556 PXVZQQWVPYFANW-GFCCVEGCSA-N 432.458 1.396 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H]1CCOc2ccccc21 742144218 ACBXXOXJPKGNTJ-GOSISDBHSA-N 433.489 1.656 30 10 IDEE C[C@H](CC(=O)OCCN(C)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 744120091 YDQQJNYOSNYWGF-CYBMUJFWSA-N 425.507 1.914 30 10 IDEE C=C(C)[C@H](CC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])OCC 756514638 FGCUTLOYECVRBL-KRWDZBQOSA-N 428.463 1.892 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c(C)nn(C)c2C)c1=O 758082714 GDNGCLVMTUQQHO-UHFFFAOYSA-N 432.505 1.288 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 761036359 GDADJURIBHQFJZ-UHFFFAOYSA-N 429.424 1.341 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 764988141 FLYKTLKHMGRBAN-HOCLYGCPSA-N 436.534 1.741 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1S(=O)(=O)NCC#N 765685359 VJGKKLNSYQJCDW-GDBMZVCRSA-N 436.534 1.782 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C[C@@H]2COC3(CCOCC3)O2)C1=O 776743084 QZEKJPNVBBPFMH-NVXWUHKLSA-N 433.530 1.985 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780853239 ACEAPHAHDCVZCV-FQEVSTJZSA-N 427.482 1.327 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)n1 788368019 XWSBGIXAHASRCZ-HXUWFJFHSA-N 449.433 1.932 30 10 IDEE C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 798229237 KFYIBQOPDIWDGO-DEOSSOPVSA-N 430.512 1.989 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCc4cncn4C3)nnc12 804332663 OSBDNPADZYPYOD-AWEZNQCLSA-N 435.513 1.650 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 810269354 WUXUDLHGMWKMER-UHFFFAOYSA-N 434.468 1.900 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 814145530 OGJKSRQQVMTOAI-UHFFFAOYSA-N 439.277 1.654 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 919848011 MEIVBXZRRRMHGE-SFHVURJKSA-N 440.525 1.792 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)c1 1084558031 IHVYIMPQEBOWLO-UHFFFAOYSA-N 440.489 1.833 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2=O)cc1Cl 1135283618 HLDXPSMPSIGXJV-NSHDSACASA-N 438.918 1.590 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1167953275 XEUSXLZUZVTDHF-HIFRSBDPSA-N 445.463 1.490 30 10 IDEE COc1c(C)[nH]cc(CN(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1=O 1175078582 CLZWMRWGUWTZHN-HXUWFJFHSA-N 441.507 1.672 30 10 IDEE C=CCCC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1177958660 KZEVIBVOGOZACG-AWEZNQCLSA-N 433.324 1.742 30 10 IDEE C#CCn1cc(CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)cn1 1192327808 NLBCJYQSMMEMRT-UHFFFAOYSA-N 430.530 1.985 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 1228656192 VOYBLKYZJCSJDX-UHFFFAOYSA-N 438.509 1.379 30 10 IDEE C#CCN(C(=O)NCc1cn(C)c(=O)nc1O)[C@H]1CCOc2ccc(Br)cc21 1251695446 DVLUXHIUZFIBFV-HNNXBMFYSA-N 447.289 1.917 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1286349769 NTRGGUCFVWPHCP-XLIONFOSSA-N 437.566 1.031 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286387727 USLUNPWAYBGPBW-MRXNPFEDSA-N 442.545 1.013 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286388116 YJEIOOXIIABENX-IEBWSBKVSA-N 430.578 1.697 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1286485344 ZJLZLLFPWHFVMJ-RDPSFJRHSA-N 439.560 1.769 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286612179 BAKNHXCGARDOKJ-OAQYLSRUSA-N 429.525 1.763 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286703986 VZECYDLTYGXPRZ-UHFFFAOYSA-N 440.552 1.800 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286789991 YWNQDNAWKXWBCD-WOJBJXKFSA-N 441.532 1.564 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)N2CCOCC2)CCOC1 1288304290 DCTYOSPUFRWQLP-DUXKGJEZSA-N 436.532 1.481 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1290860506 BYOHPMGGMOPUOX-DZGCQCFKSA-N 438.937 1.352 30 10 IDEE O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1 1290954421 LJPANVHBEGZEMG-KMKOMSMNSA-N 438.415 1.927 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1295707134 CRSBXGKYRGPLTD-SFHVURJKSA-N 443.610 1.957 30 10 IDEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1298469871 YYWGJANFEOYJSD-UHFFFAOYSA-N 430.490 1.502 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1299110577 SNJHDEVJMWJUCH-UHFFFAOYSA-N 428.562 1.895 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2COCCO2)c1 1300334061 HPPRMAOOMKWKCH-HKUYNNGSSA-N 425.489 1.254 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC1CC1 1300438704 SSXGSXHGJFXLPR-UHFFFAOYSA-N 429.550 1.142 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300754787 WEPPYBBPMPEXTO-INIZCTEOSA-N 425.518 1.179 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccoc1C(=O)OC 1300975329 CMNHFDBFOPSKJX-HNNXBMFYSA-N 433.486 1.980 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1301017160 HBEQKHLQVNESOE-KBPBESRZSA-N 432.978 1.526 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(=O)NCC)c2)CC1 1301065209 CAFVYZRFIUELMO-MRXNPFEDSA-N 446.577 1.843 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(N)=O)C1 1301482344 VOCPEGNLFHFGBJ-UONOGXRCSA-N 432.912 1.685 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1301585450 BCOYVNLPKSPRPP-APWZRJJASA-N 431.562 1.868 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1302452696 YURBPHVFISXVEJ-UHFFFAOYSA-N 449.519 1.236 30 10 IDEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)cc21 1309152297 QPSMBULEMSQPAT-QGZVFWFLSA-N 434.562 1.783 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2C(=O)N(CCC)C(C)C)CC1 1310454928 AJZIUPYRVJPGPY-UHFFFAOYSA-N 449.577 1.564 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1310862985 DJECNHHONBUUEN-UHFFFAOYSA-N 447.355 1.970 30 10 IDEE COc1ncc(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1C#N 1311196386 GFBQIEYZHQTZHD-UHFFFAOYSA-N 430.490 1.146 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1314965597 VQWMPYZWBOPZMO-LPHOPBHVSA-N 442.520 1.353 30 10 IDEE C#CCCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358916066 YYMHBVJBJFQKQO-UHFFFAOYSA-N 428.581 1.988 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NCCC 1358939990 LQDRDZCASNFLNQ-UHFFFAOYSA-N 431.566 1.532 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1358985226 SQEBCNUVPGBKJU-OAHLLOKOSA-N 446.508 1.129 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1359021183 FSPZJZHZJUCITD-UHFFFAOYSA-N 425.411 1.718 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N2CCOCC2)C1 1359325255 BDESCRQWIKGIPL-QGZVFWFLSA-N 445.495 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359330449 RYWAGSNKLVEKMS-INIZCTEOSA-N 438.575 1.478 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359387420 FTLQSEDMJROKLQ-XDOYNYLZSA-N 449.515 1.448 30 10 IDEE COC(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)(OC)c1ccccc1 1454274085 ABPVQYXCKVFRQX-UHFFFAOYSA-N 431.514 1.767 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1467813922 GSVXHVQLSQDGDB-AABGKKOBSA-N 446.592 1.838 30 10 IDEE C=CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)[C@@H](C)COC 1470065332 GPWUCHOZUDKDLE-VVLHAWIVSA-N 430.567 1.706 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)CCOC1 1473658823 QMBROAXYAFPXGS-WMZHIEFXSA-N 428.533 1.580 30 10 IDEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1477863993 WXIKXSTZOCVPDJ-UHFFFAOYSA-N 432.458 1.385 30 10 IDEE COc1cc(Br)ccc1[C@H](C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1478447325 KGCNJTKEDOEYSH-JTQLQIEISA-N 436.266 1.652 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1496839957 FVJVWTUZRZQGQE-JOCHJYFZSA-N 448.591 1.664 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1498474417 JIOYSJVFYSBANS-HZPDHXFCSA-N 431.541 1.637 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1500987542 JADYULWBYBSROJ-GVDBMIGSSA-N 425.603 1.749 30 10 IDEE CCN(CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1501887147 JFESNUXUYNFTIO-HNNXBMFYSA-N 449.581 1.712 30 10 IDEE CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503283977 CWKRVSXLPMEDAR-UHFFFAOYSA-N 446.581 1.009 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1504610536 CIAKTSRQEGYVON-NUJGCVRESA-N 428.468 1.428 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CCOC)c1 1507532756 ITQBWWPHXPJICV-MRXNPFEDSA-N 446.515 1.541 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507630114 SYTPGXILGKUSOR-INIZCTEOSA-N 444.586 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507650655 PPXSBVLOOJNFHF-TZIWHRDSSA-N 434.544 1.913 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nccc(C(F)F)n2)CC1 1507715747 HQLOBWVNZLLRRK-UHFFFAOYSA-N 446.506 1.728 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1508090385 HQKLYTSIQDPAED-FUHWJXTLSA-N 441.488 1.890 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2OCCC2(C)C)C1 1508118501 XLPQXAWRPHHGIX-ARFHVFGLSA-N 427.571 1.485 30 10 IDEE CC(C)OCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1509852799 SAFIWZYNBDTWHI-SFHVURJKSA-N 439.520 1.969 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1513326663 VCBCRTHZHUOELE-OAHLLOKOSA-N 448.549 1.723 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1519180756 YWESXMRYEPGSIE-VFNWGFHPSA-N 430.509 1.411 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1539201912 CRPUNXJMLWFURB-HOTGVXAUSA-N 442.607 1.170 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1539265971 LEXJEQJEASAKEN-CTNGQTDRSA-N 439.585 1.774 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(=O)(=O)CC 1539283921 CWCUWBWREQNOAB-QZTJIDSGSA-N 435.594 1.599 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCCc2ccccc2)CC1 1539444449 OLBWMRMUPYMTGI-UHFFFAOYSA-N 429.528 1.454 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1540194334 KQHQCBUDAXECMY-HXUWFJFHSA-N 436.534 1.142 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1540200686 HFDHXBPWUWVDPE-GOSISDBHSA-N 439.626 1.941 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1540880086 WVVYIPKAJHQTRY-MRXNPFEDSA-N 426.521 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540899893 DIIFHZDRJHDOPO-OAQYLSRUSA-N 431.562 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@]2(CCOC2)C1 1540902331 HFVYQHMGGADEJM-APWZRJJASA-N 426.539 1.116 30 10 IDEE CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1541391528 DWOWVWGXLHKBNC-KRWDZBQOSA-N 432.550 1.760 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCSCCCO)CCOC1 1541725808 OYBHNLSTVMMLBT-RBUKOAKNSA-N 427.546 1.876 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCCNc1ccc(C#N)cn1 1543449545 IERMTDATRVRKNP-WXYCVUISSA-N 435.406 1.467 30 10 IDEE CN(C)c1nc(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cs1 1546248480 AGEDGXJSEMYALZ-MRXNPFEDSA-N 426.502 1.645 30 10 IDEE C=C(C)COc1cccc(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 1547451844 UJJZOIBKDZUPEK-UHFFFAOYSA-N 438.527 1.962 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1)OC 1555251385 HWJJKEBXSAXZJG-FQEVSTJZSA-N 438.532 1.927 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1555650847 VURKMLBVZHAWLM-CXAGYDPISA-N 432.447 1.811 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCOCC1 1558512321 XIHLZZUXSJEPGY-VCBZYWHSSA-N 441.550 1.093 30 10 IDEE CC(C)Cn1c(N)c(C(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)c(O)nc1=O 1560077959 DNKKUHRRXYACLH-UHFFFAOYSA-N 428.468 1.203 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2ncc(Br)cn2)c1 1561929140 HOILPPISGLVGOK-UHFFFAOYSA-N 425.308 1.976 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCC1 1565345163 FOXBOOSLPCXNOT-INIZCTEOSA-N 435.550 1.757 30 10 IDEE Cc1cc(C#N)cc(N(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C2CC2)n1 1587011510 LIURPYZELQWOBJ-UHFFFAOYSA-N 442.277 1.663 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1587638987 IQAYRUYKHVVOSR-NVXWUHKLSA-N 434.541 1.571 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1587645967 UDQBRYFXQXVNCK-UHFFFAOYSA-N 431.493 1.168 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCC[C@@H]2C)CC1 1588930304 SFQZHZIFGPSOPJ-AZUAARDMSA-N 428.581 1.622 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCS(=O)(=O)CC 1589482989 MUMJEQBJSMBMON-JKSUJKDBSA-N 427.571 1.268 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](OCCOC)C1 1589568283 IRBRGUVWRTYYLJ-UEXGIBASSA-N 433.553 1.623 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1594813364 RIYSYCFCVBHIJP-ROUUACIJSA-N 448.593 1.890 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1595790844 RWAWWDFYURAWEL-SFHVURJKSA-N 449.573 1.318 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1 1595812263 QHTCSOZNIQUMPY-GOSISDBHSA-N 442.549 1.298 30 10 IDEE CN(C1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1)S(C)(=O)=O 1597887117 COWIQFWYXPDEGO-UHFFFAOYSA-N 430.324 1.582 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)ccc2c1=O 1627561253 UMEVRKAXIKZZMO-HZPDHXFCSA-N 446.529 1.581 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCN(C2CCOCC2)CC1 1629063386 QIQMZWMFPJCFLF-INIZCTEOSA-N 434.562 1.232 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)CC1 1632624223 PUMBXUPONBJAAK-UHFFFAOYSA-N 445.995 1.136 30 10 IDEE C#CCCN1CCC(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1634350446 CACBAOPXFIDBIJ-XLNGHYISSA-N 425.451 1.576 30 10 IDEE C#CCn1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)cn1 1634636323 OAFUVVLYTDCOFJ-MRXNPFEDSA-N 436.559 1.433 30 10 IDEE COC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCCN1C(=O)OC(C)(C)C 1636512962 XITOGBINTWGVIG-CWFSZBLJSA-N 441.550 1.189 30 10 IDEE C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1636622138 GRVHFCDLLFOMRL-LBPRGKRZSA-N 438.855 1.870 30 10 IDEE COC(=O)C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C 1638509939 DZQJWDNMBIARBU-CRAIPNDOSA-N 433.530 1.617 30 10 IDEE COc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)cc1OC 1639130182 CEBGOBRZDNDDEC-FQEVSTJZSA-N 445.497 1.454 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2CCC)CC1 1644285076 GWVRUMDZSKMZGR-UHFFFAOYSA-N 433.509 1.189 30 10 IDEE Cn1ccnc1[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)CO 1646468255 ADRHILUENKOJKO-QFBILLFUSA-N 430.578 1.540 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)n(C3CC3)c3ccc(OC)cc23)CC1 1650846371 UHLPFPZHCHNNHT-UHFFFAOYSA-N 430.530 1.519 30 10 IDEE CN(CCC#N)C(=O)CCN1CCNC(=O)[C@@H]1c1ccc(I)cc1 1660469970 WYJYAEUMLZPTCA-INIZCTEOSA-N 440.285 1.526 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 1665969280 LWQDXLRLLOTHBP-GJZGRUSLSA-N 427.548 1.392 30 10 IDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c(C#N)cc1N(C)C 1672050492 AJCIMOFPHVDTMP-UHFFFAOYSA-N 445.549 1.513 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1673834900 GWHCHESYKZCHFS-KRWDZBQOSA-N 426.498 1.625 30 10 IDEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1681844789 HNCOJWSELZMKKM-UHFFFAOYSA-N 431.493 1.685 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1CCOCC1 1682887220 IXHDKCBCVIPJID-FQEVSTJZSA-N 433.530 1.334 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)C1CCOCC1 1684187909 FPLFKBWSSGFDPF-KRWDZBQOSA-N 427.473 1.409 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(CS(C)(=O)=O)CC1 1689856108 JQJVLOARCUEYLG-MRXNPFEDSA-N 426.546 1.799 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689989771 IOWIYKAOVBBXLB-QZTJIDSGSA-N 432.550 1.411 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccn(C)n1 1690039308 AJKWRGYZIIHJSE-UHFFFAOYSA-N 426.488 1.360 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690056190 JEWPWRQDHAPCPN-NRFANRHFSA-N 436.560 1.875 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCS1(=O)=O 1690080417 SVFMGUIMEJCLGO-GOSISDBHSA-N 426.546 1.943 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1690093942 OLIYMKUNVOBFCE-VGOFRKELSA-N 431.512 1.710 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COC)C1 1690251052 ORKCGJVUFRKECC-ZVDOUQERSA-N 430.553 1.973 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690674292 VXCOBOUOEOSRES-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690674319 WXWCURXEGNTWCH-UHFFFAOYSA-N 443.573 1.976 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1690726773 LCPXRRXRGLKQHZ-UHFFFAOYSA-N 431.562 1.864 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CCO1 1692605452 KLVLJXJJKZXFHW-CVDCTZTESA-N 438.532 1.925 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1692605454 KLVLJXJJKZXFHW-WMZHIEFXSA-N 438.532 1.925 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1693564635 ZTADGYGNVOWVML-YWMAMYRUSA-N 429.525 1.060 30 10 IDEE CCc1nnc(N2CCCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694724765 UXKGISCALWJFJJ-MRCUWXFGSA-N 427.553 1.822 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cc(C)oc1C 1698058343 FDTCVIMRIOVFQX-QFIPXVFZSA-N 444.536 1.998 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1698494591 XENKBFVRDIAALQ-ZFWWWQNUSA-N 441.458 1.027 30 10 IDEE C#CCCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539476 SDLICNBYDMIUIE-HSZRJFAPSA-N 444.580 1.088 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705559696 FAIRNUKDIDIWMS-QGZVFWFLSA-N 437.610 1.313 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1705567384 XONUEUZVTLDBRG-GOSISDBHSA-N 427.530 1.190 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1705571022 UOEUMEWAZHPICB-QZTJIDSGSA-N 444.557 1.943 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1705629097 XBJBJYNTTFXUOF-GOSISDBHSA-N 448.593 1.475 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1705662311 VYQWLACBWJHTLO-MRXNPFEDSA-N 425.580 1.134 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1705727959 LVGPZASHOYHCTA-OAHLLOKOSA-N 432.550 1.821 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1705906774 OLDQFTBXMZOBKW-FUHWJXTLSA-N 428.512 1.971 30 10 IDEE CC[C@@]1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1708866251 SBTQFNYOBKJXIO-CYIKPXLWSA-N 430.509 1.661 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1709937866 CFLUDXLRCIYMQA-GOSISDBHSA-N 444.561 1.745 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1711085772 RONQVMMKRHMANY-LJQANCHMSA-N 444.561 1.716 30 10 IDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1711491139 HYROKEQKQRMRHX-UHFFFAOYSA-N 442.520 1.624 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)c(OC)c1 1722275854 GLLCMGDZVDERJP-LSDHHAIUSA-N 435.550 1.802 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1722292774 ASQHARNSVIGFBG-FXAWDEMLSA-N 438.557 1.931 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722324236 NPUUKWGJVYHLEB-NVXWUHKLSA-N 436.582 1.044 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1722366807 KQWHKGDJSIHLQP-QGZVFWFLSA-N 425.624 1.152 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722371194 URDBYQMBVNGHMJ-VNTMZGSJSA-N 449.621 1.877 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1722373212 KRKAWDCAHMIOQP-CABCVRRESA-N 446.602 1.591 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1722437651 OPCKVGGOOBZAFX-NRFANRHFSA-N 438.576 1.526 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1722437729 WHYNORIPKLUXSP-LJQANCHMSA-N 443.573 1.401 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC(C)C)CC1 1722442295 UXBCTPBRJIXDAO-UYAOXDASSA-N 430.597 1.867 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1722456617 ZCSCKXUISJSWEE-UHFFFAOYSA-N 438.557 1.915 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1722473549 FPRFVTYWRIDXGE-WIYYLYMNSA-N 445.545 1.357 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1 1722491648 MSZOECUVAPSDMU-NUJGCVRESA-N 439.520 1.608 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ncn(C)n2)CC1 1722566110 JYCFMPXWNKMOKR-INIZCTEOSA-N 444.540 1.920 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722627838 OMVSOFBWSJTMDS-MRXNPFEDSA-N 430.488 1.078 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1722681897 VFKJWUXUPPERLE-INIZCTEOSA-N 436.534 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)[C@@H](C)C1 1722697218 JHNLJCQVSXBOCJ-GJZGRUSLSA-N 431.566 1.633 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1722698553 HSYPSXYHQZDRTD-SFHVURJKSA-N 436.520 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCOCC1 1722731380 JJKMCQLHSXUHPF-UHFFFAOYSA-N 426.926 1.948 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CCO1 1722843762 QNHSUBXGXFNYLF-MSOLQXFVSA-N 446.458 1.582 30 10 IDEE Cc1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726412424 FLPOZYRABFCYPY-NQKFGRBQSA-N 426.452 1.830 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1728263846 SIQCVGONBHWPFX-SFHVURJKSA-N 438.536 1.591 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1730852181 QOOWOPFYVMQULA-AUSJPIAWSA-N 433.513 1.120 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1740702311 ZMVQSECVLMXWAD-UHFFFAOYSA-N 442.527 1.759 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1740705582 JNMJWFNLMPUVFB-VGOFRKELSA-N 443.573 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2C)CC1 1740705634 KCHCIRUFWASZND-FQEVSTJZSA-N 434.544 1.860 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740793670 VYULVYXNHUTBNR-UHFFFAOYSA-N 441.580 1.888 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1740857936 FGOPQJACRQCDLD-INIZCTEOSA-N 434.570 1.361 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1740932408 NBESIVVTIYAMDF-BZSNNMDCSA-N 439.582 1.341 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1741114036 PYYGKMPMMYSABR-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1743254087 HEEYTAPTTHMNNC-GAJHUEQPSA-N 438.532 1.973 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1747658462 XZVKGDQPXSJGAR-MJGOQNOKSA-N 443.529 1.697 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1748674780 XXGUJEFFOFFTEG-AWEZNQCLSA-N 438.500 1.545 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1748730748 RHGPOTYIBFSTEA-UHFFFAOYSA-N 430.582 1.960 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1748962122 AKPJCRAFOYIIRU-AVRDEDQJSA-N 444.557 1.100 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCc2ccc(OC)cc2)CC1 1748991217 SWEMACNWBLQYRO-FQEVSTJZSA-N 438.532 1.210 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1749193464 KAYLMWGZOVGPJM-CRAIPNDOSA-N 427.596 1.521 30 10 IDEE C=C(C)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749208004 XKVIMVULGZZQLC-FGZHOGPDSA-N 446.552 1.709 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(CC)(CC)OC)CC1 1749303823 PYDYCONIJCGJSA-KRWDZBQOSA-N 441.598 1.973 30 10 IDEE CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 1749896364 CMRXWZMFOOVFCY-CQSZACIVSA-N 432.492 1.365 30 10 IDEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1750529830 DIYGIUCYOWFWJY-UHFFFAOYSA-N 432.550 1.449 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1750565614 FNOZMBWDVWBLOS-UHFFFAOYSA-N 426.521 1.567 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CC1 1760101602 SWVPBVKFKPVNHN-KJEZJMDVSA-N 448.618 1.916 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1760195142 XFAVQBHEOXUGHA-QFBILLFUSA-N 443.598 1.992 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760205680 HKMLKZINGNFEPM-OTWHNJEPSA-N 431.562 1.059 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(C)C)CC2)CC1 1760269228 BUYCJGZGFZOKKE-SFHVURJKSA-N 447.605 1.582 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCSC(C)C)CC1 1760271239 RDLLHBYLAGLXMN-UHFFFAOYSA-N 432.594 1.508 30 10 IDEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760285815 RSGLIAVUIVITBO-KRWDZBQOSA-N 449.964 1.828 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1760518953 MXXZRHIXEBGBSI-UHFFFAOYSA-N 428.500 1.841 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760534455 YZIKMEJENZMWNE-FDDCHVKYSA-N 441.532 1.855 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CCN2C[C@H](C)O[C@H](C)C2)n1Cc1ccc(C#N)o1 1761203840 JGZXLDPMXYNLQP-IYBDPMFKSA-N 429.525 1.475 30 10 IDEE CCSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766816924 LIHSCWJIILPYBA-ZBFHGGJFSA-N 441.627 1.208 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1771201084 XMBZTWYDXPNYNG-UWVAXJGDSA-N 439.582 1.957 30 10 IDEE C#CCN(C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1772515207 MBGQXYULWUEBDN-IAGOWNOFSA-N 427.567 1.998 30 10 IDEE CS(=O)(=O)c1ccc(CCC(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1851107781 TVEYTJVHWXSUOF-UHFFFAOYSA-N 442.541 1.655 30 10 IDEE C[C@@H]1Oc2ccccc2N(CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)C1=O 1852040948 JBKRXMODWFTCLF-KRWDZBQOSA-N 435.484 1.433 30 10 IDEE N#Cc1ccccc1OC[C@@H](CS(=O)(=O)c1ccccc1)OC(=O)CN1CCOCC1 1852234181 ROSSBNHEEMEDHV-IBGZPJMESA-N 444.509 1.655 30 10 IDEE NS(=O)(=O)N1CCC(C(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)CC1 1852251564 GBCVAHYJWUDFQY-UHFFFAOYSA-N 425.816 1.564 30 10 IDEE C=CCC1C(=O)NC(=NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(C)cc2)NC1=O 1853354635 LUUHRKGJWTWRAN-FQEVSTJZSA-N 444.491 1.883 30 10 IDEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCNC(C)=O)C2=O)c(OC)c1 1863421553 LDAKHZZIQSPHSK-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(F)c3)C2)c1 1890096146 LDPOGAREPLJJLF-PKOBYXMFSA-N 444.488 1.925 30 10 IDEE CC#CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1900620327 JJAIEILUEPHAEI-HOTGVXAUSA-N 425.526 1.733 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCN(CC(=O)O)Cc2ccccc2)CCN1Cc1ccccc1 1914705689 POBWVJRDIJNIKZ-JOCHJYFZSA-N 435.528 1.993 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1962345871 JSRTUTQQHZXHHY-OAHLLOKOSA-N 433.324 1.852 30 10 IDEE CC(C)(C#CC(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1993920945 JZJMGXKPZKPPPN-CABCVRRESA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255596305 MDOIVIDMYSQYSR-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)n1 2255653016 CMWMMWFZKHWUCW-CQSZACIVSA-N 432.330 1.625 30 10 IDEE C=C(CS(=O)(=O)NCCN1CCN(Cc2ccccc2)CC1)B1OC(C)(C)C(C)(C)O1 2255796496 RNLOYIQBCHNKGC-UHFFFAOYSA-N 449.426 1.911 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1 2255874187 KGUXXCSZNNUAEQ-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266995435 IAEXFFAHHPRJEP-JOCHJYFZSA-N 447.341 1.483 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267138428 XJRBOEOMQKJLNL-HUUCEWRRSA-N 446.357 1.862 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267503861 KICGUPPHWWJSLU-RRFJBIMHSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](O)C1 2267596035 LGFCBWGAJMPLNH-DOTOQJQBSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267603332 ARQKNXAZQCILOX-FPTDNZKUSA-N 444.341 1.905 30 10 IDEE O=C(O)C=CC(=O)[C@@H]1CNCC[C@H]1NC(=O)c1ccc(I)cc1 2328239591 ZEZHPTYOGSSQMY-CHWSQXEVSA-N 428.226 1.209 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(OC)c1O 2329035128 CJVICDLOBHAXCD-CQSZACIVSA-N 447.517 1.864 30 10 IDEE C#Cc1cnn(C2CN(S(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)C2)c1 2364985494 NGXPQPYLCIDPDZ-UHFFFAOYSA-N 426.498 1.517 30 10 IDEE CS(=O)(=O)C1(C#CC2(OCC(=O)O)CCN(C(=O)OCc3ccccc3)CC2)CC1 2367788929 QEKWWTIWBABEIM-UHFFFAOYSA-N 435.498 1.840 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1Cl 72444284 ZMLLETBVFORUJR-HIFRSBDPSA-N 441.875 1.990 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1 429895944 DOMWXJXJLWEEDZ-UHFFFAOYSA-N 437.485 1.331 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1Cl 441977584 JBNQULYKLWJXAQ-GFCCVEGCSA-N 435.893 1.688 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCOCc1ccc(Cl)cc1 460703676 RTCSNOVKPUFPPL-UHFFFAOYSA-N 438.875 2.372 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 460928667 CEPOLVXSFUONSK-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 461841163 VSJQBOUATOSUJH-IAGOWNOFSA-N 425.555 1.359 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481564048 OASOGEGSZQRVBS-IBGZPJMESA-N 444.488 1.549 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)cs1 488790684 APEDVRLEMPBMFR-UHFFFAOYSA-N 446.963 1.672 30 10 IDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 500697659 MWTJUUMHOOBZSP-SFHVURJKSA-N 425.576 1.989 30 10 IDEE N#Cc1cc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1F 502036259 MTJXPTHKYXIQOE-ROUUACIJSA-N 428.489 1.575 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCNS(=O)(=O)c2cccnc2)cc1 503669566 GLHOCXSSAMEYOA-KRWDZBQOSA-N 445.526 1.162 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COc2ccccc2)C1 508826129 HKXMYDLOTIIYOL-HKUYNNGSSA-N 447.561 1.702 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1c[nH]cc(Br)c1=O 535564085 MKQPNIYTWRTASM-SECBINFHSA-N 425.264 1.315 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)COCCNC(=O)c2ccccc2)cc1 542212795 OMHGEQLVKCQGSC-LJQANCHMSA-N 438.509 1.845 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2OCCOC)C1=O 542693196 ZLTLTJPMXUWVFM-CQSZACIVSA-N 447.351 1.882 30 10 IDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(c2cccc(C#N)n2)CC1 544882533 ZNZNKKZKQSMYDY-INIZCTEOSA-N 442.545 1.353 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 549678544 GEYPJZYVCWLKTL-ZCNNSNEGSA-N 446.596 1.759 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CCS1(=O)=O 555385623 HLYABSKPBTYRMH-GOSISDBHSA-N 445.545 1.921 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 569157639 ZAVRWIRUEPTYOG-DLBZAZTESA-N 446.577 1.683 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c(F)c1 586858517 AMRPMPLDEOMJHC-UHFFFAOYSA-N 426.423 1.827 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 603990139 MYLKYGDBUYIFIY-KRWDZBQOSA-N 439.537 1.051 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 726873746 YWZPRMQQEXJSCJ-IAGOWNOFSA-N 433.528 1.891 30 10 IDEE C#CCN(C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)[C@H]1CCS(=O)(=O)C1 729333926 CNIYPTJRFYEPDV-SFHVURJKSA-N 429.498 1.620 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2c(C)noc2C)cn1 730145269 YQROBAXNKWWMBD-KRWDZBQOSA-N 447.565 1.707 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CCN1C1CC1 732706496 OHDHJCRCWAMHAI-GFCCVEGCSA-N 435.278 1.358 30 10 IDEE Cc1nnc(CN(C)CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1C 742246294 ULYYANXJYWWCNS-HAVVHWLPSA-N 433.538 1.007 30 10 IDEE COc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1C#N 746728071 JUYZAVTWTXQUDH-UHFFFAOYSA-N 436.534 1.339 30 10 IDEE COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1C#N 746859327 PUJCLQBGOBCARZ-UHFFFAOYSA-N 430.486 1.462 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 774487003 VLCYZBWIQYSQMK-HQIWFVDMSA-N 430.530 1.599 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)CC2(C#N)CCCC2)cc1C 779320078 QQDMXWUWKVTEDJ-UHFFFAOYSA-N 427.548 1.454 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 780204385 HGNLELZFPVKDDL-LPHOPBHVSA-N 448.522 1.412 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCn3c(O)nnc3C2)cc1 782722255 QAQWBCVUFCAGTR-KQWNVCNZSA-N 447.521 1.624 30 10 IDEE C[C@H](CC(=O)N1CCC(Oc2cnccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 785367960 ZGCRLFMWTYDJFE-CQSZACIVSA-N 429.502 1.364 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 791744672 LKGCFTBYHNJTDX-UHFFFAOYSA-N 435.479 1.303 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCCN3S(C)(=O)=O)ccc2c1=O 804690621 CANJATCQOFGDMG-CQSZACIVSA-N 436.559 1.415 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cnn(C)n2)C1=O 807929670 LWEJVOLIHLVMTI-INIZCTEOSA-N 433.513 1.154 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@]2(COC)OCCc3ccccc32)n1 811922656 PCRWWHYKUMRLBN-QHCPKHFHSA-N 426.517 1.789 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc2c1OCCO2 839203719 VIJFDMSVVYKTBN-UHFFFAOYSA-N 435.436 1.845 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)Cc1ccccc1 916807982 VXXHZMVCRANQDM-QGZVFWFLSA-N 449.554 1.930 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1 917723815 NEBKLRXWQITOFD-UHFFFAOYSA-N 443.938 1.943 30 10 IDEE CCc1nnc(CN(CC)C(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)o1 1083891106 XZABJDGDXFGTBK-UHFFFAOYSA-N 443.537 1.833 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1132418546 ROWVQCKUXOKDCT-XOBRGWDASA-N 437.880 1.653 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(N(CC)S(C)(=O)=O)CC3)n[nH]2)c1C 1136732219 SAGLMGZPCDXRIG-UHFFFAOYSA-N 434.566 1.962 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c1 1141586310 AJGRFHAKLUBFBD-UHFFFAOYSA-N 435.399 1.654 30 10 IDEE CN(C)C(=O)CN1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1144085335 RURNIXUMUTZWAB-BNGSBABLSA-N 447.580 1.442 30 10 IDEE C#C[C@H](NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1CCCO1 1234625676 HIUBVBUSYZMGFR-VXKWHMMOSA-N 426.561 1.838 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1266190579 CKBMORRYAMMPCE-KGLIPLIRSA-N 426.427 1.717 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCNC(=O)C(C)C)c1 1286310658 XGUZUGKZDKWJHV-UHFFFAOYSA-N 446.515 1.564 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1286403743 LODIDJKMBXPNOS-UHFFFAOYSA-N 428.514 1.612 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1286432216 BATLOXXTKGMEFP-UHFFFAOYSA-N 439.541 1.337 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286508555 UNYSXFFEHUEIPQ-QGZVFWFLSA-N 425.518 1.900 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286607306 OAUTWZLDYQLRBG-FQEVSTJZSA-N 440.552 1.990 30 10 IDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286624721 AQQBNTMHNPHCJY-UHFFFAOYSA-N 431.928 1.073 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](C)C1 1286822464 KRYVQUVOTNITJW-CALCHBBNSA-N 444.561 1.731 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286824698 GSHOHASWGIHAQI-APWZRJJASA-N 428.555 1.146 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1286929560 PDBMRGAEVQGTCL-INIZCTEOSA-N 425.493 1.266 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1286968126 IZYZKMUAEYMEPC-UWVGGRQHSA-N 426.287 1.764 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cn(C2COC2)nn1 1292035837 NKASATDBBJDVTO-UHFFFAOYSA-N 441.540 1.538 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1293902564 LVAUKIXVRTUBGP-MSOLQXFVSA-N 438.569 1.285 30 10 IDEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1296087294 DPAJDCQQGZVPOO-VQTJNVASSA-N 437.548 1.642 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)CC1 1297320895 BJNDGAYFSYMWIM-GUDVDZBRSA-N 426.908 1.479 30 10 IDEE CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298451996 SCNOELJNTKVMID-GFCCVEGCSA-N 449.924 1.716 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298580351 SROIENFFWZDULX-JLUOLNIDSA-N 444.536 1.561 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(Cc2ccccc2)CC1 1300267700 IVHHQOGVYBZPPO-NRFANRHFSA-N 449.603 1.790 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300368581 YHTSXWPGLWNMHR-SFHVURJKSA-N 433.520 1.599 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1300403712 OJFDHZZVEJEWBG-UHFFFAOYSA-N 435.536 1.916 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300408814 CJLWZLCNCSILSA-SFTDATJTSA-N 436.560 1.934 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1300497628 BOKGVUAASYBDIF-VAMGGRTRSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@H]1CO 1300523074 WJUOANHQHJBIGV-FQEVSTJZSA-N 435.528 1.984 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1300603382 PYTLUNXXJWYTRO-YADHBBJMSA-N 449.621 1.598 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCSC1 1300618598 IUXDLWLJMSKUAS-LJQANCHMSA-N 434.591 1.566 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCC1 1300630408 SRWFSAFPUXDYNJ-UHFFFAOYSA-N 426.546 1.943 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)CC2CC2)CC1 1300711335 AAPQJJAVBGEIHE-MRXNPFEDSA-N 435.594 1.582 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 1300843647 HKXCFANMVBLARZ-ZDUSSCGKSA-N 433.314 1.254 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301027000 GSFSRCIEVKBXBF-UHFFFAOYSA-N 446.899 1.066 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(C(C)=O)CC1 1301484437 GXXXYTPTRHNQTP-UHFFFAOYSA-N 427.465 1.214 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1301497877 GHKWMHZWAMVMJT-SJORKVTESA-N 428.468 1.248 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OCC)CC1 1301509286 FORAUCXPCIAATF-UHFFFAOYSA-N 426.521 1.644 30 10 IDEE CC(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1302758854 YVWTVLGWQLOLNM-XOMICKMZSA-N 441.536 1.628 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)CC1 1312871770 GTVJJBYWXVDTDU-UHFFFAOYSA-N 425.938 1.805 30 10 IDEE CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314553956 ZQHBJOZCDRNZPF-IBGZPJMESA-N 449.625 1.517 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1314894886 HVYZEQOOQZVKCV-PXAZEXFGSA-N 436.289 1.767 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1316357077 SKXMPESKGNLSDQ-MRXNPFEDSA-N 444.561 1.761 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1358969396 OFBIZVWBRSCUDC-OAHLLOKOSA-N 431.518 1.027 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1359005746 UGHDQQYSDOZEKQ-MRXNPFEDSA-N 431.518 1.557 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)c1ccccc1 1359007413 JATUNZDRMPCKIS-UHFFFAOYSA-N 441.513 1.939 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1NC(=O)CC1(C)C 1359026845 MNSGUEXBWZZGSF-GOSISDBHSA-N 429.496 1.997 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1359055865 RBNVDVXTGYLNAC-UHFFFAOYSA-N 445.549 1.224 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359203325 NEJXLQRWSFQHQH-HZPDHXFCSA-N 436.538 1.806 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(Cl)nc2C1 1359293296 MJXCKTMYVULPHF-CQSZACIVSA-N 434.928 1.915 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359293554 TVSABJAIJUPYOG-RDBSUJKOSA-N 435.447 1.460 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1nc2ccccc2s1 1359303169 GKEBYDQZPWFHTJ-UHFFFAOYSA-N 439.545 1.949 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(CC#N)n3)c2)CC1 1438817377 HJXYXLVUPZYYJE-UHFFFAOYSA-N 427.486 1.253 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CCS(=O)(=O)CC1 1439741741 MGHJPPMMCVRPCA-UHFFFAOYSA-N 427.519 1.387 30 10 IDEE CCCOc1ccccc1C(=O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1454879007 TUEMYESRBKELLL-UHFFFAOYSA-N 429.498 1.903 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 1464492515 AEGUVTUYAYQEKV-LLVKDONJSA-N 428.308 1.156 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CC1 1464592588 VUJOFYUZXIZXMJ-UHFFFAOYSA-N 437.490 1.035 30 10 IDEE CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1500466419 BIIJITBVEWNSLS-UHFFFAOYSA-N 435.532 1.888 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1501205477 YZYQOIHYPIRLBP-GOSISDBHSA-N 438.536 1.292 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)(F)F)CCO1 1503774443 XRGQLLYFEMHUKA-OAHLLOKOSA-N 438.410 1.694 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1504995182 LXVDFCMPKSRQHN-PKOBYXMFSA-N 444.536 1.816 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCn1cc([C@H]2CCOC2)cn1 1505059760 SIRZZSKHTVVYDL-LXZJYRNTSA-N 443.552 1.999 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCCCO)CC1 1505319781 KMBXRBZFLKHORB-IBGZPJMESA-N 441.536 1.512 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1507517449 HPQMIXCYLMBEDL-ZHRRBRCNSA-N 429.496 1.957 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507710852 WGVXVCZZMIVKRP-NRFANRHFSA-N 447.543 1.436 30 10 IDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1507852465 USNCMCJSMRSWCP-KZNAEPCWSA-N 425.489 1.303 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1507896866 CSNYPEYOTABASX-HSZRJFAPSA-N 446.596 1.497 30 10 IDEE C=CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1508046651 FYPJITOCOBVGHX-AWEZNQCLSA-N 445.321 1.349 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508095396 OENGGUQOAMDWQW-LIMIJEPZSA-N 439.560 1.971 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2cc(C)oc2C)n1 1511716746 GWISKMLPVHPMLP-AVRDEDQJSA-N 439.520 1.986 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(c3ccsc3C#N)CC2)C1=O 1532373036 WISIGGKNSJGQJS-HNNXBMFYSA-N 432.546 1.849 30 10 IDEE Cc1c(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n2ccccc12 1532936725 COONMWLHTWLIAY-UHFFFAOYSA-N 427.486 1.731 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 1535528294 KTZKRGJKRDCSTK-HOTGVXAUSA-N 430.571 1.894 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CCO[C@](C)(C#N)C2)C1 1536618809 KQECTDOALLVNCH-RTWAWAEBSA-N 439.509 1.475 30 10 IDEE CN(C)C(=O)Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1539062277 BEPYSFJTJMIWMN-OCAPTIKFSA-N 449.302 1.609 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(N)=O)CC1 1539115640 FSOAPZRVMOGFQL-UHFFFAOYSA-N 429.550 1.353 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC(F)(F)F 1539148683 MYCKFACVZJHWLT-CYBMUJFWSA-N 445.467 1.947 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1539251750 OWSCFMXQDRBVMK-KRWDZBQOSA-N 440.525 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1539260370 PNXFUKFDLYELKD-UHFFFAOYSA-N 440.511 1.920 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1539264050 VPKDHAUDQYSWBI-GOSISDBHSA-N 442.564 1.944 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539318806 YLVDBKJDJXIILP-UYAOXDASSA-N 447.543 1.361 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC[S@](=O)CC)CC1 1539475657 LMPNHSKOOBXMJP-WJOKGBTCSA-N 443.573 1.688 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1539482559 MYNXYHYZWBIDEM-UHFFFAOYSA-N 430.553 1.673 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539774876 GCFBTSIAYLKMIF-HOTGVXAUSA-N 447.005 1.189 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)C)CC1 1539847998 KLGSCIBQBRYGSX-IRXDYDNUSA-N 427.571 1.438 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)C1=O 1539853377 DBWOOCCAHMYISM-GFCCVEGCSA-N 433.848 1.865 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(COC)CCOCC2)CC1 1539874885 QZARQWYTDGXSET-INIZCTEOSA-N 441.598 1.734 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1540033830 QPCXAIPBJAGUCV-HNNXBMFYSA-N 430.509 1.561 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1540064555 YDDKUFPZEOMVAP-UHFFFAOYSA-N 425.562 1.863 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCOC1 1540197943 ABTQKXCWYNRXFV-NRFANRHFSA-N 426.477 1.384 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1540868178 UZBWCVKMLIHWJL-UHFFFAOYSA-N 449.515 1.254 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1540876646 XNYVOAXPSKJPQH-DVRVPYBTSA-N 449.552 1.005 30 10 IDEE N#Cc1ccc(CN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C2CC2)cc1 1546130487 RAQKBCUDLWMDSU-UHFFFAOYSA-N 446.916 1.780 30 10 IDEE CN(CC1CCCC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1554221367 CXZYLRPAMCJNAD-QZQOTICOSA-N 441.536 1.553 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)CC1 1558074752 HSTOVQYVFSXYSX-UHFFFAOYSA-N 445.520 1.034 30 10 IDEE N#Cc1ncn(CCNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)n1 1586934885 CREZFGLXZZRWEN-ZROIWOOFSA-N 430.490 1.697 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1587909668 QGSADVXQYZUTPG-INIZCTEOSA-N 431.566 1.269 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1588139068 KRFPFVQTJVYMBE-HXUWFJFHSA-N 448.552 1.546 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1588139834 RWGGODSQTGLTIR-LJQANCHMSA-N 442.589 1.996 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1 1588193718 JVGCUJWJEVOGPD-GDLZYMKVSA-N 444.582 1.723 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCC(C)CC2)CC1 1588750809 FXJGSRLTHDRROL-XMMPIXPASA-N 444.624 1.807 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(O)CCOCC2)CC1 1588856957 FZHFVYSOYIHQIH-UHFFFAOYSA-N 430.578 1.321 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(O)CCN(C)C2)CC1 1588864587 GTZRPYKIDDKAOP-XMMPIXPASA-N 438.576 1.296 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1589530273 UKAQMZJYJPDWKX-QRFRQXIXSA-N 444.580 1.951 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1589569883 RQXPBMXEYWXCNV-BPAFIMBUSA-N 429.569 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncnn1CC(F)F 1595516549 GWBGJHJVFGQRGO-UHFFFAOYSA-N 441.446 1.612 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1595594625 NRLYTKNURIIKPH-UHFFFAOYSA-N 427.505 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC 1595798811 TZKFGLRSCSNUTM-HNNXBMFYSA-N 443.570 1.991 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCOC2)n1CC(C)(C)O 1612884899 IAEXKNLAXRWEAZ-JKSUJKDBSA-N 426.525 1.320 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@](CO)(C(F)(F)F)C2)CC1 1620566234 OPIRQMNKMDWFOK-IEBWSBKVSA-N 428.430 1.781 30 10 IDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCCNc2ncccc2C#N)cc1OC 1625770503 QHNHPTJXIQOKJC-JOCHJYFZSA-N 425.489 1.636 30 10 IDEE C#CC[C@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1629617380 NVQHAJZEMYMJGR-LHSJRXKWSA-N 440.493 1.015 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(C#N)nc3)C2)CC1 1630759615 AAGZBGGQAFEXGK-GOSISDBHSA-N 441.532 1.814 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)s1 1635185092 PPVSLAQRIYGQQY-SFHVURJKSA-N 435.571 1.937 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1636709093 JLAOCWORTARBGL-MSOLQXFVSA-N 445.004 1.935 30 10 IDEE C[C@H](CC(=O)NCC[C@H]1CCC2(CCOCC2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1637938876 JMKKJTLTZQBVTL-IAGOWNOFSA-N 449.573 1.986 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(CC(=O)OC(C)(C)C)CCOCC2)c1 1638579162 WWSQDMJRGIIEDX-UHFFFAOYSA-N 436.530 1.609 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)OC)c1 1644421736 TWMYKYXCCGUECH-IBGZPJMESA-N 440.477 1.858 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)cc1 1648038729 UROREDIWUPIMNS-UHFFFAOYSA-N 428.470 1.926 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3c(cccc3C(N)=O)C2)CC1 1655175693 MKCPMKWCDQWCRE-QFIPXVFZSA-N 435.503 1.692 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)CC1 1658789152 XZFQQZKSVXMHGA-UHFFFAOYSA-N 436.969 1.177 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1661085198 CYNVRVDIIXIRKW-UHFFFAOYSA-N 437.518 1.842 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(Br)cc2CC(=O)OC)CC1 1665159394 LVBWDGSSISLLIN-UHFFFAOYSA-N 430.320 1.704 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H](Cn3ccccc3=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1672133346 QOVFOOGMDDWGST-UEXGIBASSA-N 426.498 1.169 30 10 IDEE C=C(C)CCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1672407657 KIYVISKYBSHUNL-UHFFFAOYSA-N 438.550 1.632 30 10 IDEE C[C@]1([C@H]2CCCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)COC(=O)N1 1682226617 NJJNCRGOHNNDMD-NJNPRVFISA-N 425.489 1.579 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(NC(=O)COC)CC1 1689926284 LUAIZIVHMXBKDD-UHFFFAOYSA-N 449.515 1.739 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1689937153 QOICBBPTEXUPKX-KRWDZBQOSA-N 428.562 1.988 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1689979671 FXPKCLPLDIFOMQ-OALUTQOASA-N 437.610 1.385 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 1690122562 VKTUAQZYSTYSND-NRFANRHFSA-N 436.560 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1690153976 GCYGZDIZSBINNC-LTMIRXACSA-N 429.565 1.722 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCOC1 1690531734 YMZGTQFDGYPYMR-QHCPKHFHSA-N 426.565 1.416 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 1690663515 ZGFALGACVUPXLM-UHFFFAOYSA-N 433.438 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690720401 HUMWZDZHTDTESR-PKOBYXMFSA-N 443.573 1.911 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690724843 XGAJXBRGUAZBCT-KXBFYZLASA-N 439.538 1.151 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690742098 GHPAUKMOIIMJIJ-AWEZNQCLSA-N 448.622 1.889 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCOCC1 1705481597 JOINDQBDPKUKHB-INIZCTEOSA-N 445.545 1.055 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)C)CC1 1705538735 ZACZXZNTORHQFN-UHFFFAOYSA-N 428.562 1.988 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(Cc2ccccc2)c1 1705572253 VJRCBXLUMKFLQF-UHFFFAOYSA-N 427.512 1.880 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1705628857 RBIDTBFSVPFTRH-OAHLLOKOSA-N 446.558 1.319 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](F)C2)n1 1705631541 IILWPXDGUKQXAB-AOIWGVFYSA-N 443.527 1.850 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1705700869 ZNDUAJZDGZRFIG-SZMVWBNQSA-N 439.582 1.581 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705737697 YADQRWAFZXRCCK-SFHVURJKSA-N 426.521 1.732 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1705812168 RZSLIVSZJHQNRT-INIZCTEOSA-N 438.598 1.836 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705829841 DDMSQFCEVWFKLT-SJORKVTESA-N 444.540 1.644 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705903365 UESKDAWHJGNIJF-UHFFFAOYSA-N 437.548 1.663 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)CC(F)(F)F)C1 1705915799 WQKZEBWJSAJXNI-OAHLLOKOSA-N 430.475 1.790 30 10 IDEE C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1706735429 GPOHQUAKZIQGGA-AXRLXDQESA-N 439.476 1.546 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1708146684 GFEBVBZJHQQNQC-HNNXBMFYSA-N 433.472 1.393 30 10 IDEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)N1CCCC1 1708770509 AMJMWBONYDQTLQ-MBOZVWFJSA-N 437.614 1.893 30 10 IDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)OC 1708808371 HARCVECWCMVJQN-GOSISDBHSA-N 442.520 1.449 30 10 IDEE CCN1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)C1 1710225777 CQBRLVOAFIFNGO-CMKODMSKSA-N 431.585 1.520 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)c1 1710327074 QTBFTSDNKTZWPW-QFBILLFUSA-N 442.520 1.529 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C#N)o2)CCO1 1711369334 WDWXKLOMJGFRJH-LJQANCHMSA-N 436.472 1.630 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1711419352 DBPHSHRPHLWBEF-FQEVSTJZSA-N 430.534 1.373 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1712182753 IVWXGRYYYPQZEP-JFIYKMOQSA-N 447.467 1.073 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1712380994 GIXYLHFSBNMFCB-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CCOCC2)CC1 1722432830 GLNUIKBUCJRABZ-UHFFFAOYSA-N 447.486 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(=O)NCCc2ccccc2)CC1 1722448698 XONHGDFBCAFPMK-UHFFFAOYSA-N 448.571 1.870 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722480818 TWXZHPLHYJMRLV-STQMWFEESA-N 437.360 1.534 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722509266 WWNUFPJTTDPTKB-XSYGEPLQSA-N 430.553 1.515 30 10 IDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)N1CCOCC1 1722531785 WXAKHIQHTPHTGP-UHFFFAOYSA-N 429.521 1.841 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722614849 DWMRIURCCJCBIO-NZSAHSFTSA-N 429.569 1.184 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1722681104 GOIAGOAOHZSVMB-KUNJGFBQSA-N 430.596 1.120 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccccn2)CC1 1722693577 TUZYOGQVBWMFOE-UHFFFAOYSA-N 433.516 1.978 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)C[C@H]1CC 1722723932 JIEPBJIOOUKHBL-SOUVJXGZSA-N 433.600 1.114 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)COCCO1 1724045504 PJQVHXBKAHILDE-OAQYLSRUSA-N 445.545 1.894 30 10 IDEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1726406133 MLROQQWJQYPSKI-IRXDYDNUSA-N 427.475 1.416 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1730900755 KJOPIFDLPCYQTB-VQTJNVASSA-N 427.505 1.864 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOCCc2ccccc2)CCO1 1731187055 WWVNVAWXXYFNKR-HXUWFJFHSA-N 438.532 1.892 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1740550784 JVDKOUYIBSVNSP-HOCLYGCPSA-N 448.545 1.712 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1 1740751044 HCGYVEIPLCLCJB-UUAJXVIYSA-N 427.571 1.483 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740791817 CVHZNKUOGQOJCH-HNNXBMFYSA-N 437.504 1.854 30 10 IDEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1740798229 COVWFLCPQVNEKJ-UHFFFAOYSA-N 427.534 1.474 30 10 IDEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1740889462 CIBIESPDTFAVJA-LAQRGFTBSA-N 440.548 1.626 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740962200 VQXFKVBBLFERPL-SFHVURJKSA-N 442.539 1.469 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CNC(C)=O)CC1 1740966855 YEZWEHLHYBSXEK-UYAOXDASSA-N 446.596 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740989552 QOFPQTOZTPGDSX-SJLPKXTDSA-N 448.545 1.215 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(F)cc(F)c1 1740990463 AMKFXUYAJXYEEC-MRXNPFEDSA-N 439.488 1.745 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740995027 XVMWLXBUTFOKFB-MRXNPFEDSA-N 437.591 1.494 30 10 IDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748707454 BGLXTAYOCYSPIT-UHFFFAOYSA-N 425.537 1.661 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)CC 1748842611 OVCLAYCOVKHLHQ-UHFFFAOYSA-N 438.513 1.612 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NC(C)C)CC1 1748979352 ZCGYIHIRUPMCNM-KRWDZBQOSA-N 428.512 1.837 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749193745 OHVVNAXWLMENKL-IKGGRYGDSA-N 425.555 1.192 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1749228886 DZGPFHBMTULKLL-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCc2ccccc21 1749489563 YJTUALDFYAADBK-WIYYLYMNSA-N 447.561 1.067 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC)C1 1749697901 NUQWAKDKHQMZNV-DOTOQJQBSA-N 435.550 1.727 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1750206731 NXSMHLFGCYUIME-NRFANRHFSA-N 445.545 1.495 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)c1 1751399387 CJOKGMQOOFOMHT-UHFFFAOYSA-N 432.550 1.763 30 10 IDEE C[C@@H]1C[C@@H](C)CN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1752010695 PXKGXGNBMAHXDC-VAMGGRTRSA-N 443.596 1.887 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1752278567 LMUCRIBAEPCMRU-QFBILLFUSA-N 440.504 1.201 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1752550764 FQJHRFSSEZQGHQ-LZFQIVBZSA-N 426.521 1.565 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760187315 CTVCNQOBQXFZSW-APWZRJJASA-N 428.562 1.450 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)c2ccccc2)CC1 1760269440 ILSVEZQNWMTTDO-HXUWFJFHSA-N 436.560 1.884 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1760374080 IBCHEAXVGITVGS-ZBFHGGJFSA-N 441.941 1.950 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CC)C1 1760542545 IISSUZWTVMTKFC-IPMKNSEASA-N 437.610 1.836 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCSCC(F)(F)F 1760688281 FBLWFMMHVPFXPT-QWRGUYRKSA-N 428.506 1.780 30 10 IDEE CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766865113 JXGCYGLNSOABTL-UHFFFAOYSA-N 432.488 1.277 30 10 IDEE CNC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1767834409 BBLBWRKDYBLODN-UHFFFAOYSA-N 435.488 1.874 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1Cc1ccc(C#N)o1 1767935272 UZCHDMHUIVDIJK-UHFFFAOYSA-N 435.488 1.753 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1769096675 DDHWNRDIKBUGBP-ZWKOTPCHSA-N 435.532 1.646 30 10 IDEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1771536351 PXXULKBDRQEHEG-KRWDZBQOSA-N 441.467 1.724 30 10 IDEE CN1CCC(N2C[C@@H](C(=O)Nc3c(C#N)cnn3-c3cccc(Cl)n3)CC2=O)CC1 1852100721 DTPOXGMQEIQMFU-ZDUSSCGKSA-N 427.896 1.674 30 10 IDEE CN1CCC(N2C[C@@H](C(=O)Nc3c(C#N)cnn3-c3ccc(Cl)cn3)CC2=O)CC1 1852768772 DFZRQNMXKLZKIZ-ZDUSSCGKSA-N 427.896 1.674 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc(Br)s2)C1=O 1854282058 ABCPZRTWAUQOAT-RYUDHWBXSA-N 426.336 1.970 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)[C@@H](C)C2=O)CC1=O 1855722635 CQTXHILLRWOYJQ-DLBZAZTESA-N 433.530 1.086 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C2CCOCC2)CC1 1857375290 VVPXVNTZGLQDGB-UHFFFAOYSA-N 431.514 1.843 30 10 IDEE COc1cc(C(=O)N[C@@H](CO)C(=O)N[C@@H](C#N)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC 1867807101 SAZSVDATJMZICF-HOTGVXAUSA-N 442.428 1.392 30 10 IDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871004810 ZKNVWEITJWNTMH-UHFFFAOYSA-N 442.472 1.721 30 10 IDEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OC 1874341831 SZMKHXRHMAWRRS-UGVMZYNRSA-N 433.534 1.986 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 1891063256 KFXVUGJWYAHYDS-UHFFFAOYSA-N 426.561 1.065 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)C1 1891381503 GNJDVRLMDWKHAW-OAHLLOKOSA-N 441.513 1.149 30 10 IDEE Cc1cnc(N2CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232281799 YTKPMCCFDXBYME-UHFFFAOYSA-N 446.357 1.600 30 10 IDEE N#CCN(Cc1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2241773232 CDWWIBFDURPSHE-GOSISDBHSA-N 431.470 1.722 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247927969 TWUPHBNZYRDRIR-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C)CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255697918 DYKXXRHCROMONQ-OAQYLSRUSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255848200 XUZPSUMPFRWUGI-HUUCEWRRSA-N 436.314 1.991 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267270077 JKPMFFCMIUGGCP-GJZGRUSLSA-N 447.341 1.481 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC[C@H]1NC(=O)C(F)(F)F 2267500841 PDWHFZVUSUQCGQ-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2267524394 PIEVBJCQAIHWHB-NWDGAFQWSA-N 442.247 1.015 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267604148 KWPDRLWILXLGAB-QGZVFWFLSA-N 439.369 1.708 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC3(C2)OCCO3)OC1(C)C 2267726915 FMYVOTWSVUDSKB-UHFFFAOYSA-N 429.369 1.716 30 10 IDEE CCn1c(N2CCOCC2)c(C=C2SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 2314425895 AHMPEOFJTNLYDU-UHFFFAOYSA-N 448.570 1.733 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 2327828266 HENQOKGJDLABAA-CQSZACIVSA-N 430.534 1.861 30 10 IDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1OC 2329012634 XYEKLTHEYWMFSU-CQSZACIVSA-N 446.533 1.479 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2337187256 CFXCSIUKTNCKJX-FPTDNZKUSA-N 446.357 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2351719960 XURQUSTZYOSABC-PMPSAXMXSA-N 449.357 1.663 30 10 IDEE O=C1CS/C(=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)N1 39886330 IJQSULRFLQVWFM-SECBINFHSA-N 431.421 1.756 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)CCO1 409499037 GFKLLJQHOSRIGL-PMACEKPBSA-N 428.514 1.503 30 10 IDEE N#C[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 463307150 HKYYMNDYKQHHDU-ZQQZQOJVSA-N 432.274 1.682 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)CC1 474467139 JQHBJHFLILOFNK-MRXNPFEDSA-N 426.521 1.989 30 10 IDEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476801863 GTRYVFDNRFHFSZ-GOSISDBHSA-N 449.467 1.580 30 10 IDEE CC(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H](C)C1 477665007 KJCOAKZUXRLLSI-AEFFLSMTSA-N 427.549 1.909 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CCN(c4ccc(C#N)cn4)CC3)CC2)nc(C(C)C)n1 497491790 AEHBPTHYJGACNF-UHFFFAOYSA-N 448.575 1.646 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)c1 531147563 DNTKSBXTSWQTCB-UHFFFAOYSA-N 429.498 1.651 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 541195217 LKSCSKGAMREMQB-GOSISDBHSA-N 439.495 1.454 30 10 IDEE CN(C)C(=O)CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 549503000 CCSAMCIDKQVWQH-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2 560730245 DTPOQTBONGUSGS-QRQCRPRQSA-N 431.537 1.962 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 590914124 GFGUQMXUQFFDBI-HNNXBMFYSA-N 429.567 1.712 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 730141630 KLTSXPWTIRXABW-RDJZCZTQSA-N 433.578 1.519 30 10 IDEE CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732468172 FKOFZICATULVLY-HMDOMZECSA-N 426.521 1.604 30 10 IDEE CN(CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 732651112 VXMZEWHEAFSTGD-HNNXBMFYSA-N 441.351 1.268 30 10 IDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CC1 732700887 TZBVEPVGKMTRJE-IBGZPJMESA-N 446.577 1.217 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 732795445 HTSNPSJRTBKPDJ-MRXNPFEDSA-N 428.558 1.984 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(CC)cc3)c2=O)cn1 735069529 VNACXHZEZGBFJU-UHFFFAOYSA-N 447.564 1.850 30 10 IDEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCOC2)C1=O 751681802 DKNKHLCSEYVSCS-WMZOPIPTSA-N 429.546 1.737 30 10 IDEE COc1cccc(Cn2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1OC 756778688 FJHQNPHHIGUDIF-QGZVFWFLSA-N 438.488 1.086 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 770965824 NVXVEZNCBQRYQL-SWLSCSKDSA-N 430.452 1.571 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)OCC)ccc1F 774075024 SMPCPTIYDZBRHV-CABCVRRESA-N 428.482 1.473 30 10 IDEE C#CCN(C(=O)NCCCC(=O)N[C@H](C)c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 774249656 JQXJRRHODSPPKV-IEBWSBKVSA-N 449.573 1.875 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ncccc2S(C)(=O)=O)C1=O 782853667 UIBPWIIAFKMSJS-HNNXBMFYSA-N 432.527 1.753 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COC(=O)c2ccnc(C#N)c2)c1 795975534 FPTPCDDGNOPCPK-UHFFFAOYSA-N 446.485 1.788 30 10 IDEE Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 800766283 BPFZWKBAOJAVCY-UHFFFAOYSA-N 432.488 1.835 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1cnn(C)n1 807930049 PDYGEOVPGFMPKE-GOSISDBHSA-N 443.577 1.713 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)N3)CC2)o1 808604883 MIEXRGWKZLXWKD-JSGCOSHPSA-N 429.399 1.120 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)cc2C1=O 853262479 XYMVTCAOKNBNKV-HNNXBMFYSA-N 449.467 1.153 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC[C@@H]3COc4ccccc4O3)cc2C1=O 916415985 BMSYSOFCXZNUKM-OAHLLOKOSA-N 436.420 1.582 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1cccc(NS(C)(=O)=O)c1 918086663 HSEJOIIQTJRVEI-OAHLLOKOSA-N 428.518 1.918 30 10 IDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)[C@H](C)COC 1130890175 NMUSNWSNEAFKDJ-QGZVFWFLSA-N 439.578 1.685 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)/C=C/C(=O)c2ccc(C)cc2)c1 1144418303 YCIHJDBZDNQAOH-AYJWMTRPSA-N 429.498 1.785 30 10 IDEE C[C@@]12CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C[C@]1(C)C(=O)NC2=O 1151217593 HPVSTSRCWIAPCG-KDURUIRLSA-N 431.290 1.268 30 10 IDEE O=C(Cn1nc(-c2ccccc2)ccc1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1161797829 QMSSUBVFOMURCX-UHFFFAOYSA-N 432.436 1.814 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1)c1cc[nH]n1 1165606976 UAUTUHHJNXOKPC-GOSISDBHSA-N 427.505 1.469 30 10 IDEE CCOC(=O)c1cc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)on1 1171920235 XIIYQJQXPSEYGO-UHFFFAOYSA-N 448.501 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C[C@@H](O)CC4(C#N)CC4)CC[C@@H]32)CC1 1195147368 KUDNNFAGGUHMPK-OTWHNJEPSA-N 447.580 1.909 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1212416059 WPHPEHCISLRYLR-UHFFFAOYSA-N 445.582 1.839 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1276482234 ZAPVKOGWYASHFX-HSZRJFAPSA-N 449.467 1.749 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1286389870 RZQDMMMUUASYNF-DLBZAZTESA-N 431.493 1.043 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nncn2CC)CC1 1286471155 HEIFZMIOUVJWCT-KRWDZBQOSA-N 438.511 1.972 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C)c2)CC1 1286471419 JWCSMCHCEILLBM-SFHVURJKSA-N 430.578 1.195 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286627275 BYUUUDKKGJNBDA-FHLIZLRMSA-N 449.987 1.361 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286710521 ZEQAZKLANCBEAX-HZPDHXFCSA-N 434.541 1.925 30 10 IDEE C=CCCOCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1286713938 ILUWMILIQFHRLR-BWAGFHJFSA-N 436.553 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS(=O)(=O)CC1 1286779709 MFYDZTHXXBVQCD-UHFFFAOYSA-N 440.529 1.339 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286815866 BOCAULORVJJEGU-KRWDZBQOSA-N 434.566 1.098 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1287543201 GTHIYBZZWNLWHY-GJYPPUQNSA-N 425.555 1.096 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(C)(=O)=O)CCOC1 1288304455 FILCAHSWJKZVHG-LJQANCHMSA-N 425.555 1.493 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1291802327 BGLQJXLVJDEBCP-HOTGVXAUSA-N 436.524 1.821 30 10 IDEE CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1293612306 LZWBQVJBJATQEG-QBEKEKFNSA-N 437.504 1.406 30 10 IDEE CN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1298004939 GQJYPWATMZJMPA-FQEVSTJZSA-N 431.500 1.802 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1299321860 JQDFMHCACKXTEJ-YJBOKZPZSA-N 448.549 1.139 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1OC 1300076077 BMNACWCCRLRUDJ-FUHWJXTLSA-N 442.520 1.412 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300381389 DLSDMPZXUUUPIK-KRWDZBQOSA-N 449.563 1.987 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300479961 WCJLKBDIJZPRRZ-BBWFWOEESA-N 445.486 1.725 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1300481892 CIQSGCOSVOSDOR-JQVVWYNYSA-N 448.589 1.913 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300496883 VUAUXWNSCPIDEK-MOPGFXCFSA-N 446.577 1.312 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOCC1 1300531621 DLSJSCUHNRZRKA-UHFFFAOYSA-N 431.500 1.389 30 10 IDEE C[Si](C)(C)C#CCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1300588648 UWWFMOYDNUOXPJ-KRWDZBQOSA-N 444.651 1.155 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCC1(O)CCOCC1 1300673738 XNMKCIMKMSSZCD-UHFFFAOYSA-N 438.532 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OCC)CCCC2)CC1 1300710604 IIHIOUSBAHPTKJ-UHFFFAOYSA-N 444.580 1.731 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1300990432 DMFHAZQUBVFWGQ-HZPDHXFCSA-N 434.541 1.925 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C2CC2)CC1 1301086479 JMJAUNPDQUESGU-IRXDYDNUSA-N 425.555 1.192 30 10 IDEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1302825535 PNGUREITNBASGK-MRXNPFEDSA-N 427.534 1.696 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)Cc1ccccc1 1304855267 BLFMYEPXNGCADP-UHFFFAOYSA-N 430.516 1.838 30 10 IDEE C[C@H](CC#N)NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1307886724 UFYAOBBTBZUWDW-DZZSIBQASA-N 432.527 1.624 30 10 IDEE C#C[C@@H](CO)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)OC)c3n2CCC3)c1 1310163671 NXMVZFQDTGZJDP-AWEZNQCLSA-N 425.441 1.790 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCOCC1 1315608774 IEYAGGWFSCALMN-QGZVFWFLSA-N 426.521 1.793 30 10 IDEE COCc1nocc1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1315876075 VBJHWPGOLHEXOA-IBGZPJMESA-N 438.488 1.983 30 10 IDEE COCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1316230929 KDTIKVQIQDWXEY-UHFFFAOYSA-N 439.520 1.609 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)CC1 1316353982 BPLFZJUZBCMDPN-QGZVFWFLSA-N 432.575 1.794 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cn(CCO)nc3C3CCOCC3)C2=O)cc1 1331302015 GTALFNHEVUHJHH-HXUWFJFHSA-N 437.500 1.172 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(O)CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1358961918 HEWOTHZPFCPZAM-IBGZPJMESA-N 449.621 1.408 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cn[nH]c1 1358971196 LNHCKALZOJZMKB-UHFFFAOYSA-N 436.545 1.585 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1358982127 LJEJZXLUEGESOE-UHFFFAOYSA-N 432.528 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1358994668 TTZQPKRCIJYLSF-BZSNNMDCSA-N 437.541 1.212 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1359024330 KULHXAASXACVBM-IRXDYDNUSA-N 445.486 1.869 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCS(C)(=O)=O)CC1 1359033201 TYPBYTREEXULLK-UHFFFAOYSA-N 447.561 1.152 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNS(C)(=O)=O 1359052897 ULVRBYOXVJWHQT-UHFFFAOYSA-N 437.547 1.026 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359104818 GFRNGFHGXXULRP-SUWCGCSTSA-N 433.553 1.578 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@H]21 1359227572 FKOKYGNIPWBNGJ-KURKYZTESA-N 439.582 1.583 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1359254892 HCUQMPZWXKBBHI-KRWDZBQOSA-N 447.561 1.518 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C[C@@H]1CCCO1 1359294063 JFHFFRDYGZYXRH-KRWDZBQOSA-N 447.561 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(C)on2)CC1 1359331294 URMMQJBBXPVDCC-UHFFFAOYSA-N 445.549 1.493 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](COC)C1 1359333949 PBPLSGXTVSKGAC-KRWDZBQOSA-N 438.525 1.460 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359334318 APPMWHYWTNBJBK-KDURUIRLSA-N 448.545 1.636 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNc1ccccn1 1360240852 RJRDEMXYSDHOQJ-SFHVURJKSA-N 437.552 1.490 30 10 IDEE CSc1nc(O)c(C(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1C#N 1440150398 DKRIADQEWQOQNJ-MEBBXXQBSA-N 435.449 1.962 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)ccc2c1=O 1456737467 ZXDBBHHPNFCLKF-SZPZYZBQSA-N 429.542 1.858 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 1465666516 ZOPNCAFJSMGGCH-HUUCEWRRSA-N 437.990 1.600 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)C1 1471335229 CNJZFGHJRRMBPR-RTBURBONSA-N 449.596 1.679 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 1475667519 MHOYQZKTQHMJBY-QGZVFWFLSA-N 425.576 1.237 30 10 IDEE COCCOCCN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1478419952 IQAGFUHQQASYAY-HXUWFJFHSA-N 429.521 1.044 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)n1 1492746032 FXQMRDQSVOTYRX-QFIPXVFZSA-N 436.495 1.923 30 10 IDEE C[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1493781241 VNBAPJSXWLIBGS-FVGNFYTDSA-N 441.536 1.553 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1496248856 JTIGBASHQYSLMR-CQSZACIVSA-N 449.519 1.518 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1502913803 CSYIGLNKOGKWBB-MSOLQXFVSA-N 443.504 1.790 30 10 IDEE CCOCc1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1503131671 JALVRNZRZLRNMW-SKQXYPPFSA-N 430.509 1.060 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(OC)ccc1OC 1505081107 CQPNKCOEHQGNIW-CVAIRZPRSA-N 443.504 1.796 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC[C@H]2CCOC2)c1 1505313713 DXRCYUPQELTBGX-UYAOXDASSA-N 438.532 1.962 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(CC)CC 1507606410 KWUNEAXBKVHPLT-QGZVFWFLSA-N 432.594 1.995 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1507634884 OFDUSXJEWJPVBG-QGZVFWFLSA-N 445.574 1.226 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(C)COCCO2)CC1 1507732890 UUWQXRNGAHUWQD-HSZRJFAPSA-N 441.532 1.426 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507750047 GYWHWWHNMYBXRL-UHFFFAOYSA-N 441.605 1.697 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507750697 BZYBKTDRHQIJDL-OWCLPIDISA-N 427.596 1.070 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507789640 GSBURSIZWVEBRC-NWDGAFQWSA-N 426.271 1.423 30 10 IDEE C=C(C)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1507835143 MPZOMVBUKBFZNJ-JOCHJYFZSA-N 429.569 1.952 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1)C1CC1 1507993282 PFFVEJOKRYZAIU-NXHRZFHOSA-N 439.582 1.317 30 10 IDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508070539 BUTIMFGIDGVZMF-UHFFFAOYSA-N 442.520 1.626 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](COC(C)C)C1 1508084295 LMEKEKZVIMRJGC-QGZVFWFLSA-N 434.566 1.566 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1508142645 ATTNCMONQSJZBT-IBGZPJMESA-N 449.552 1.130 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccco1 1508145969 RZSZQJUSXGSNDJ-HUUCEWRRSA-N 442.563 1.571 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1=O 1509409996 JMUDBRWZCFGQRM-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE COCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)ccc1=O 1516183571 DIYXOVPIWFFDLD-NKFKGCMQSA-N 447.517 1.345 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNc2ccccn2)CCOC1 1516219777 DOSMTXNZAXQCHU-LAUBAEHRSA-N 427.509 1.556 30 10 IDEE CS(=O)(=O)CC1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1523336132 ZWAHCSDBOYBDNL-LEOMRAHMSA-N 446.529 1.483 30 10 IDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)COc2ccc(C#N)c(Br)c2)c1 1525309669 CBBOUOSJBQJBHC-UHFFFAOYSA-N 445.273 1.896 30 10 IDEE C#CC1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CC1 1530079937 RACXLMCWLUJSTO-UHFFFAOYSA-N 441.347 1.955 30 10 IDEE C#CCN(C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1537469383 QPSPYPDMPRIYFA-CVEARBPZSA-N 427.320 1.275 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 1539072133 LPORSXYTDLFWCT-IBGZPJMESA-N 445.545 1.676 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1539230421 HMLKABVJQQAINM-KRWDZBQOSA-N 428.537 1.890 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1539260265 MHRBAECLMFKWAI-UHFFFAOYSA-N 438.451 1.209 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1539413981 PSTSNNMZPBCZNU-OAHLLOKOSA-N 441.479 1.146 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539592335 CQCJKWBKZAYZGV-OAHLLOKOSA-N 448.325 1.471 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1539632987 WEKQGLBSVYGRNA-OPYAIIAOSA-N 447.580 1.885 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCC(F)F)CC1 1539836397 SMPQQBYQABQCRG-UHFFFAOYSA-N 439.488 1.886 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539946882 FGTZEEQRRFAKJH-UHFFFAOYSA-N 445.568 1.445 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1540120296 RHSUGXPCXROVLF-UHFFFAOYSA-N 447.561 1.760 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1540874923 WEPAGJBTNSEKKX-LJQANCHMSA-N 440.548 1.820 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540902267 FLGASOHCFSQMEO-HZPDHXFCSA-N 426.539 1.510 30 10 IDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)C1 1540908625 KFINDJQUELQSCC-UHFFFAOYSA-N 435.575 1.416 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1540943410 QDGPMQJDZHPIKC-UNEBPCJRSA-N 443.552 1.308 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cccc(OCC(F)(F)F)c1)c1cc[nH]n1 1540950255 VUQHFOBZAWKYNA-UHFFFAOYSA-N 428.367 1.951 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1541043466 DFBFXIFKZXOGCV-UHFFFAOYSA-N 431.447 1.303 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)C1CC1 1545532967 ADWWJSCCGGZKFF-HNNXBMFYSA-N 439.568 1.558 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)c1 1546222613 BUWSLUIWQKKOLN-UHFFFAOYSA-N 440.587 1.664 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1570541906 KJNJYMKMAIJCIN-YFHOEESVSA-N 430.501 1.955 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1=O 1586116036 SIHKJJZMIJZZLX-OLZOCXBDSA-N 431.967 1.800 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)COCCNC(=O)c3ccccc3)c2C#N)C1 1586961695 AIHUXIKTWBDURI-UHFFFAOYSA-N 426.498 1.909 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1587673067 KKWIQGKSRAQKHS-PBHICJAKSA-N 426.477 1.312 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1c[nH]nc1C 1587932426 SUTZDMGXSGZSPG-UHFFFAOYSA-N 441.561 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C)n(C)c2=O)CC1 1588913673 PINJTKQAMUMQJC-UHFFFAOYSA-N 447.543 1.305 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1589150871 NBBOXGLARDNNPY-GCKMJXCFSA-N 431.562 1.982 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(C1)OCCO2 1589151234 VLYVXJTYVGGMAH-FRQCXROJSA-N 437.566 1.424 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1595303234 NYTKJGKCZXSPQC-BBWFWOEESA-N 427.571 1.467 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CC1 1595789389 RQVKREIHLCWWLK-UHFFFAOYSA-N 438.579 1.438 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C 1595884917 WXPBOBQBNXWWIS-XHSDSOJGSA-N 429.612 1.765 30 10 IDEE CN1C[C@@](C)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1618458302 LOENQZBFXJBNCD-UTKZUKDTSA-N 442.545 1.167 30 10 IDEE Cn1ncc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)n1 1618492268 APPDTBCODQLTRF-KZNAEPCWSA-N 428.541 1.687 30 10 IDEE COCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619823774 JGQNRGOCDHKAQS-UHFFFAOYSA-N 438.536 1.420 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCCCO)cc1 1620351905 IHCNUJBEMGUFCR-KRWDZBQOSA-N 425.493 1.105 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 1622519261 WQZMXXBEMYMFKF-APWZRJJASA-N 445.516 1.734 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1629077123 JGHCYWZZNXHSAF-CQSZACIVSA-N 429.905 1.620 30 10 IDEE C#CCC1(O)CCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 1633140557 DLUYREGNVKHJHG-UHFFFAOYSA-N 444.557 1.446 30 10 IDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1633414340 LJEDJXZVDBFLGV-LPHOPBHVSA-N 448.435 1.658 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 1633849681 ZGQJYROMVAHBIN-QGZVFWFLSA-N 431.489 1.620 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccnc(C(=O)OC)c1 1634207395 BCOYTXLMJKDCLW-MRXNPFEDSA-N 444.513 1.782 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 1636805181 ARMLDTMWTDGPBK-QRVBRYPASA-N 436.597 1.987 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)N4CCOCC4)CC3)cc2C1=O 1638597836 APYODDWQJUVUAP-UHFFFAOYSA-N 426.473 1.115 30 10 IDEE C=CCONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1640825741 ZYEFDXUUBYLEHA-LBPRGKRZSA-N 443.831 1.505 30 10 IDEE C=CCCC[C@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1645502298 AXHYPCHFMBJFRH-CBUFDYBVSA-N 429.517 1.914 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)cc1 1648623394 PGAHINNLOHVARK-OAQYLSRUSA-N 438.546 1.971 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2cccc(CS(N)(=O)=O)c2)c(=O)c1C#N 1648749721 AJXITYNDLVYKKB-UHFFFAOYSA-N 439.291 1.272 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)Cn2ncc(=O)c3ccccc32)c(=O)c1C#N 1648750239 OORPYYVGDVXSNK-UHFFFAOYSA-N 428.246 1.580 30 10 IDEE CN1CCN(C)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1654898067 QMTCOJAJXXNMLH-IBGZPJMESA-N 442.608 1.535 30 10 IDEE N#Cc1cccc(CN2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)n1 1659305058 AHXBIYRVNANGCR-UHFFFAOYSA-N 447.904 1.444 30 10 IDEE C=CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1664099079 XOKVHSYGGNXLTR-OAHLLOKOSA-N 426.491 1.705 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@H]2CCOc3ccc(Br)cc32)c(=O)nc1O 1675965361 ODMJRBIJGYDPHZ-ZDUSSCGKSA-N 434.250 1.406 30 10 IDEE C#CCOc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 1678742562 KBVSDNXHVMZOPG-UHFFFAOYSA-N 431.514 1.311 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1nn(C)cc1I 1681081444 ZIDQEUVNEJBYTO-OAHLLOKOSA-N 439.257 1.771 30 10 IDEE C#C[C@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccccc1 1682352124 GRUBHFANEFOFOV-SFTDATJTSA-N 434.544 1.926 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC(Cc2ccccc2)Cc2ccccc2)CC1 1683234244 CYQPNSMFFDTIOF-UHFFFAOYSA-N 440.569 1.635 30 10 IDEE CCO[C@@H]1C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1Oc1ccccc1 1686175724 NEETVMHSQTWEDM-KZNAEPCWSA-N 425.445 1.012 30 10 IDEE C#C[C@H]1COCCN1C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1687187551 ANLBNABUCBFIPN-SFHVURJKSA-N 440.504 1.836 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1689980709 WICNPEKJHCVNRC-QGZVFWFLSA-N 429.546 1.350 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(C)c1 1689999416 AKHYGZLRRRZTJZ-ROUUACIJSA-N 429.546 1.737 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H]2CCOC2)CC1 1690137730 HOWAWASYVUMVFO-FDDCHVKYSA-N 445.564 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1690143756 APFIZHJYSNJUQC-UHFFFAOYSA-N 433.578 1.336 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1690159872 PHFFXCBEDIWIHC-QGZVFWFLSA-N 447.586 1.430 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690227525 AZDYDVUJQJPKPP-ZIAGYGMSSA-N 448.387 1.946 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1690309740 JHJJAEZPHDJBJD-INIZCTEOSA-N 435.488 1.513 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690671546 YNCATTLFWCTSFT-RTBURBONSA-N 442.568 1.947 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)C1 1690685135 WHNMHYPMCXDAQM-KGVIQGDOSA-N 433.553 1.926 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CCC1 1692742253 HPMCPLVERVEONP-MHTXLSKPSA-N 449.602 1.987 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2ccnc2C)CCO1 1697910477 HLQOCXITNKXDSA-HXUWFJFHSA-N 437.504 1.786 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1705476490 AVTGLQUNGXRFLW-JKSUJKDBSA-N 446.577 1.291 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705567030 SMMCCZIOBCBVBH-SFHVURJKSA-N 436.578 1.616 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2csc(C)n2)CC1 1705634570 BVIIXHDFZVPIBL-NRFANRHFSA-N 430.578 1.693 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C)N1CCOCC1 1706784770 WQTDVMRINADCKG-QGZVFWFLSA-N 439.564 1.888 30 10 IDEE CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1708766829 FLUDWXKRZGABMP-HOTGVXAUSA-N 447.540 1.546 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)COC)CC1 1710329527 DGLFIEFDYGXNRR-KRWDZBQOSA-N 425.537 1.357 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1710877110 QEZUUMLSSRHWIJ-OTWHNJEPSA-N 429.546 1.960 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(C)cn1 1712442503 ADRXOJNNCPDHMR-HXUWFJFHSA-N 448.531 1.959 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1722360263 FSJNRXAYUZWBSZ-ZWKOTPCHSA-N 428.562 1.309 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722363006 YJEIOOXIIABENX-HKUYNNGSSA-N 430.578 1.697 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N(CC)CC)CC1 1722448453 CEKZMUMNGGVBOG-IBGZPJMESA-N 437.592 1.960 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1722473251 BGZSHDYERUBKFO-NNMXDRDESA-N 449.621 1.409 30 10 IDEE C=CCCOCCn1c(CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1722629298 IFPLYZAUASJGMC-UHFFFAOYSA-N 443.577 1.825 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1)C1CC1 1722645665 VINRSSWMHXXAPJ-NRFANRHFSA-N 431.562 1.570 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1722688690 IXNDMUBXRFRPBJ-CYBMUJFWSA-N 449.353 1.828 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722697083 FQQUNSDZCMYUGL-HKUYNNGSSA-N 425.537 1.189 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCS(C)(=O)=O 1722697839 RDXLZFCUMHUMRY-UHFFFAOYSA-N 444.517 1.383 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722700253 CIJYYOXSAWFZKI-GOSISDBHSA-N 425.537 1.307 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722700639 OJYPZLFTRROLJS-QHCPKHFHSA-N 436.491 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722726405 DZDWTBCENVMCMF-SFHVURJKSA-N 434.566 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722726553 GJTKKPCXNNNQFX-GOSISDBHSA-N 437.610 1.695 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCOCC1 1726957516 NRMVOEZURGJDOD-HNNXBMFYSA-N 439.520 1.575 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1730923140 AGTHIIYIADWSGV-PMACEKPBSA-N 427.505 1.864 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccco2)CC1 1731189001 IEOLMBHDUXJEHL-UHFFFAOYSA-N 425.493 1.554 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cc(C)cc(C)c1 1740610978 PZUXWICWSMMJNS-LJQANCHMSA-N 447.561 1.376 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC(C)CC1 1740640672 SQUIMWQBWVJNOQ-HXUWFJFHSA-N 431.606 1.765 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2[nH]1 1740686362 RPBRKHQCSVHJAL-GOSISDBHSA-N 441.557 1.990 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)NC(C)C)CC1 1740699065 ZKCNIVDNIYLTTF-UHFFFAOYSA-N 446.577 1.037 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1740764024 SZRPCYATTBNTTK-AVRDEDQJSA-N 444.580 1.686 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1740771566 AFRPZLWPZKPKDZ-UHFFFAOYSA-N 445.549 1.888 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740817663 OVOQJDHKOXIEJY-BZSNNMDCSA-N 425.961 1.913 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1740941247 GDSIKCHPPPLNNW-RBUKOAKNSA-N 439.626 1.939 30 10 IDEE C=CCSCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1741005342 WJLCVWRTVFOXBO-CSODHUTKSA-N 435.594 1.906 30 10 IDEE Cc1ccc(S(=O)(=O)NCCn2c(CC3CC3)nnc2N2CCO[C@H](C#N)C2)s1 1742290920 DBHGMVQBGOZIES-OAHLLOKOSA-N 436.563 1.308 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1748784542 CBTZMKKUEQOGFT-UHFFFAOYSA-N 435.532 1.907 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 1748805030 NAIVLOVLKLHYBB-HXUWFJFHSA-N 429.546 1.098 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1749441751 RRXBMBNUYBSEFP-UHFFFAOYSA-N 430.534 1.491 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@H](C)O1 1749546168 GGLWSVMYTBAIDS-XERREHJYSA-N 429.546 1.925 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1750069659 NGHQCXFBOSHFAY-ZDUSSCGKSA-N 425.449 1.511 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCN2CC=CCC2)cc1 1750384575 FTNOBRGGPBJJKO-UHFFFAOYSA-N 426.546 1.559 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(C)C)N1CCOCC1 1760110768 GXMDWQNPZDHQMC-FUHWJXTLSA-N 428.537 1.821 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760143606 LLWISVJKIDFAJF-UHFFFAOYSA-N 436.582 1.178 30 10 IDEE C#CCCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1760143723 PMHHHKRGKBZJFH-REWPJTCUSA-N 431.581 1.892 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1760188683 LPKAKXHJGXJPKJ-INIZCTEOSA-N 430.559 1.908 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCCOC)[C@H]1CCS(=O)(=O)C1 1760189921 RPBUWEBCBHVFEG-SFHVURJKSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760205678 HKMLKZINGNFEPM-GUDVDZBRSA-N 431.562 1.059 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760278904 KYUVVMSNUJZDKN-UHFFFAOYSA-N 435.561 1.880 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1760348673 HPHQKAIWKQXUJO-UHFFFAOYSA-N 428.541 1.167 30 10 IDEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760436564 UZNZRVVCMPNUAG-QGZVFWFLSA-N 434.566 1.870 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1760528720 KRHUKAHSDMNBMM-UTKZUKDTSA-N 429.525 1.307 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760529557 AWWFTAGFEWTLGH-OAHLLOKOSA-N 432.554 1.308 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1760559540 QCIVPQAPJSWYDZ-UHFFFAOYSA-N 428.566 1.550 30 10 IDEE CCCNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1766231753 BKCFXNUNWQQHPZ-KRWDZBQOSA-N 439.568 1.964 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1769699960 DMMFDCNLPSVMOB-IBGZPJMESA-N 439.520 1.426 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1770157263 NWJKSNSVPZEPRV-UHFFFAOYSA-N 426.521 1.784 30 10 IDEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1770607976 GTKKHEQFHRTECL-INIZCTEOSA-N 442.611 1.494 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1770664017 DCDRJIWGXZWRES-YSTOQKLRSA-N 427.505 1.718 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CC1 1771360067 WNQDOJZRGXPMBT-UHFFFAOYSA-N 446.577 1.841 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CC[C@@H]2COCCO2)cc1 1771534832 PYXZJEGYOGQMTH-HXUWFJFHSA-N 427.505 1.743 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)CCO1 1851076838 SLKMSJVUAFFHCU-MJGOQNOKSA-N 433.917 1.981 30 10 IDEE CCN1CCN(C(=O)[C@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929185 BKWCBPRSAQIHME-IBGZPJMESA-N 444.532 1.640 30 10 IDEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCc4ccccc4Cl)cnc32)cc1 1870100824 JEVZCZDAYLIQGY-UHFFFAOYSA-N 433.859 1.878 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCC(N(C)C)CC1 1870538166 ZIWYBPKZBQFHLT-UHFFFAOYSA-N 428.533 1.849 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CCO)CCCC)cc1=O 1870560345 RMUYKWZFUVTKPP-UHFFFAOYSA-N 447.557 1.150 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2136171976 MSXCKVGTVIWOKR-BFHYXJOUSA-N 426.267 1.600 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(Br)c(C#N)c2)[C@@H](O)C1 2197483094 TZXLRPIJZKJNAJ-KBXCAEBGSA-N 440.294 1.992 30 10 IDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2213501377 XKFPNSVIPXSUFH-KLHDSHLOSA-N 443.541 1.303 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674641 MACVNOVSKJMZHK-NSHDSACASA-N 426.348 1.843 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2255633107 WMBTVTWDGIOCIU-QGZVFWFLSA-N 426.326 1.340 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255654900 FOKJVPKAPZUVRH-ZIAGYGMSSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255696549 VNFVBLLJTBDKML-ZFWWWQNUSA-N 432.330 1.809 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255701003 LBNPNUWESSFONQ-UHFFFAOYSA-N 436.318 1.694 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256625566 YOEMVLGNDFXEJX-QGZVFWFLSA-N 432.326 1.714 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCOCCOCc2ccccc2)n1 2267119604 YDHXAMYDUWCPPC-UHFFFAOYSA-N 444.341 1.468 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267171395 JNAQFPDJTUIKRK-QDMKHBRRSA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265030 ZOXPRJXYRRCNMP-OFQRWUPVSA-N 444.341 1.761 30 10 IDEE Cc1nn(C)c(C(=O)N(C)C[C@@H](O)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267521526 QAAGIONCRDQGIU-GOSISDBHSA-N 443.353 1.677 30 10 IDEE C=CCO[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286042519 RHTDLBCBXZSJRK-QZTJIDSGSA-N 440.518 1.451 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nc(C)ccc1B1OC(C)(C)C(C)(C)O1 2339942187 JBEFJDLMCSUBIT-OAHLLOKOSA-N 449.357 1.959 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)C1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 2371350176 PVKZPXGQLDXBCG-GOSISDBHSA-N 434.514 1.365 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C 20428022 FYGFQZYDLGSPLG-UHFFFAOYSA-N 439.501 1.478 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)cc1 20528065 QYXGEOBYKSZAEQ-FOKLQQMPSA-N 429.481 1.994 30 10 IDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1O 21319046 QDKDLKSSJGIYSQ-AUEPDCJTSA-N 445.480 1.700 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)c2ccc3c(c2)OCO3)n[nH]1 59887615 RSBXDFKOMFIJRB-DNTJNYDQSA-N 443.489 1.760 30 10 IDEE COc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 60623931 IBMZEXQWWGUFAK-UHFFFAOYSA-N 444.513 1.662 30 10 IDEE CC(=O)N1CCCC[C@@H]1CCCS(=O)(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208048231 FGYXBOOZFSYHTD-QGZVFWFLSA-N 437.371 1.731 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1 461283105 KGLOJNYUQGPNGM-OAHLLOKOSA-N 428.499 1.992 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCCN(CCOC)C(=O)C2)nnc1-c1ccco1 470220157 PHPJNUCNXCFSRN-UHFFFAOYSA-N 433.534 1.914 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476801836 GPFJAMVGHTUDFI-PBHICJAKSA-N 430.530 1.773 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O 482141611 KAPNFLXLHVMSRW-BEFAXECRSA-N 426.498 1.489 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 486352951 LFPJFUNHOWJFBM-RTBURBONSA-N 436.530 1.677 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 500944480 QGJBGGPZUVNIRK-UHFFFAOYSA-N 441.557 1.950 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1F 505028768 BALYSGKKHYQVNW-ZDUSSCGKSA-N 432.452 1.598 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 514078320 JNSHPFOEGPBASM-QRQLOZEOSA-N 430.530 1.532 30 10 IDEE COC(=O)[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)Cc1cccc(F)c1 521578115 VKOGQHQYDUPFRR-SFHVURJKSA-N 432.473 1.760 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(OCC(F)F)nc2)CC1 534136705 DQFWYLGBZSJRFZ-UHFFFAOYSA-N 436.440 1.744 30 10 IDEE CN(C)CCn1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)ccc1=O 535136998 GZGCQPRHQWOXRC-UHFFFAOYSA-N 425.308 1.845 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CN2CCCc3ccccc32)C(=O)O)c1 547873965 HMISRVNMNPIRBD-LJQANCHMSA-N 443.525 1.787 30 10 IDEE CC(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549843901 ZMNAJCLWTVHJKK-SFHVURJKSA-N 444.561 1.821 30 10 IDEE C=CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 552706915 VEGHTKCMTJXJIZ-MISYRCLQSA-N 434.558 1.977 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1 558290508 ZNQSBKQVNVMNDV-UHFFFAOYSA-N 434.440 1.732 30 10 IDEE C=CCOc1cc(NCC(=O)Nc2nc(CC(=O)OCC)cs2)ccc1-n1cnnn1 586269091 PWSYKKYYYHFRHN-UHFFFAOYSA-N 443.489 1.840 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 679753287 MAMABTSMRWKFLQ-UHFFFAOYSA-N 441.553 1.921 30 10 IDEE C=C(Br)CS(=O)(=O)N(CC(N)=O)Cc1ccc(Br)cc1 704593909 BEDGAXVAAQVXDG-UHFFFAOYSA-N 426.130 1.975 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 731974173 BDWJRRZLDPHTHB-MBHZRYLQSA-N 441.513 1.906 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2nnnn2C2CC2)C1=O 742214874 MJZXQKLOAOOIKS-INIZCTEOSA-N 442.549 1.208 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1 748692895 FPUGXUHHBBFMDO-UHFFFAOYSA-N 445.932 1.963 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cnn1CCO[C@H]1CCCCO1 759171495 FBZIKQBGZFEPJP-IBGZPJMESA-N 432.502 1.866 30 10 IDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3OC)cc2)CC1 766986937 ZWCJRZCTVFZTEY-UHFFFAOYSA-N 428.514 1.827 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCc2nnnn2C)C1=O 771544404 QVOKRZSBIDAXSU-GFCCVEGCSA-N 439.448 1.122 30 10 IDEE Cn1[nH]c([C@@H]2CCCN2C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nc1=N 773387810 MJGAHUMXDHCKMX-HNNXBMFYSA-N 445.549 1.190 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782883501 JEKCRSDDYZXHHF-CYBMUJFWSA-N 434.415 1.962 30 10 IDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N(CCC#N)CCN3CCOCC3)c2C1 783593363 YPGACDLDNTWKME-UHFFFAOYSA-N 432.525 1.391 30 10 IDEE C[C@H](CC(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)/N=C1/NS(=O)(=O)c2ccccc21 787689639 YAFBXMOXPSGMQB-YSEBXJKWSA-N 441.553 1.129 30 10 IDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(S(C)(=O)=O)cc1 789965437 AREYMPDDLFQYMP-CYBMUJFWSA-N 434.547 1.566 30 10 IDEE CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790739057 XBKSAEPFFVKJNP-AWEZNQCLSA-N 425.580 1.272 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCSC)c2=O)cn1 794642005 IMPKDJRLXJSMOM-MRXNPFEDSA-N 446.598 1.378 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)c(C(F)F)n1 812273999 QMWQSELIJVXJHJ-AWEZNQCLSA-N 448.495 1.632 30 10 IDEE C#CC[C@@]1(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 812354389 COJGADZJCCLSPE-FQEVSTJZSA-N 442.582 1.120 30 10 IDEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 825186092 VYTYIBKCSMBUTN-QGZVFWFLSA-N 438.546 1.986 30 10 IDEE CON(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 915333925 ZHVZCVHPERNBPX-UHFFFAOYSA-N 430.490 1.489 30 10 IDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 917130044 JCINWYGGVUUVMQ-CQSZACIVSA-N 435.527 1.722 30 10 IDEE CC(C)CN(C(=O)CON=CC(=O)Nc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 917624846 QOEFZDCPDPAOLK-AWEZNQCLSA-N 431.461 1.577 30 10 IDEE C[C@H](C#N)CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 920448482 GLSLLLYCFPLGDW-GFCCVEGCSA-N 430.324 1.702 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2N2CCN(C)CC2)s1 1136716259 RZPZWXSUDRZSKT-UHFFFAOYSA-N 448.614 1.823 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2occc2CN2c3ccccc3C[C@H]2C)CC1 1152967272 DBHBZNKQBJGYHR-QGZVFWFLSA-N 442.541 1.456 30 10 IDEE COC(=O)[C@H]1CS(=O)(=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1198421308 GRWSCXUBDCKBOT-IUODEOHRSA-N 439.559 1.345 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1221721528 JEQPPJXVLMCZOI-GMAHTHKFSA-N 444.576 1.662 30 10 IDEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1230142698 SBOVIQATJAXYNZ-SUMWQHHRSA-N 445.950 1.213 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1286274577 OLYGFJCXGXQXJU-KGLIPLIRSA-N 442.586 1.650 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1286358399 WKUXYIXKSUPFNT-UHFFFAOYSA-N 430.597 1.999 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(F)(F)C1(OC)CCOCC1 1286432513 NDJOMQMYCGERJN-UHFFFAOYSA-N 449.502 1.694 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2(O)CCCC2)n1 1286471302 KVYYGZLBCHADNJ-IBGZPJMESA-N 442.564 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCn2cc(CO)nn2)CC1 1286489613 ZETURJRJURLLEE-UHFFFAOYSA-N 448.531 1.085 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1286507895 DBJLZEQXQBFIMK-INIZCTEOSA-N 436.607 1.533 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1 1286546731 LKROTCRPVLQUSU-XIRDDKMYSA-N 437.570 1.239 30 10 IDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1286618336 ZGNVRNKBIRTPDN-RTBURBONSA-N 447.561 1.550 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286620164 GJSQBPOFGMBIIC-STQMWFEESA-N 439.991 1.044 30 10 IDEE C=CCn1c(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@@]1(OCC)CCOC1 1286778058 XBKTVYUPIZWQOK-MGPUTAFESA-N 435.550 1.961 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286780025 AGGCAQFMCISLEM-QGZVFWFLSA-N 445.568 1.090 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1Cc1ccccc1 1286780267 NBMKSORZMUVIQB-AEFFLSMTSA-N 446.577 1.402 30 10 IDEE Cc1cc(NC(=O)CN2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)no1 1290445646 PZBRKPGBFCCBTK-UHFFFAOYSA-N 446.305 1.943 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC(C)C)CCN2C1=O 1295890732 PTLAKXHMXFHBMM-SFHVURJKSA-N 437.504 1.714 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H]1C 1295981026 QKUNCCBIQOBXRO-SOUVJXGZSA-N 435.554 1.320 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1297398993 BKACSUDCXRJILG-UTKZUKDTSA-N 445.545 1.229 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1OC 1297679903 HQVKUVVJLZYHOC-RBUKOAKNSA-N 447.561 1.739 30 10 IDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1=O 1298886859 FQWJTQMGKQBPJJ-UHFFFAOYSA-N 428.518 1.062 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300362696 TYLMSOVPKAIPSM-CEMLEFRQSA-N 442.608 1.964 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1300488033 OEOCAFPPZMTVKA-KRWDZBQOSA-N 431.562 1.870 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1300491222 FFIKSWLMKUSFPG-FUHWJXTLSA-N 449.577 1.205 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC(F)F)CC1 1300691410 XNLOHZQZJZGBDQ-UHFFFAOYSA-N 443.462 1.305 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2conc2COC)CC1 1300718103 AQTASOIAWRKZKI-UHFFFAOYSA-N 438.488 1.995 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300997239 RWBJRLYUBOVUOC-GOSISDBHSA-N 429.525 1.095 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301425255 FLFSFVPJFBITAQ-PGRDOPGGSA-N 433.553 1.768 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1302031785 ZHHCBTQODHSDTI-DYESRHJHSA-N 437.564 1.470 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)C2)nc1 1303898141 FKJJUXDNJXNJJA-FQEVSTJZSA-N 444.495 1.428 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306894397 JCVJZTAJTXIYBD-UHFFFAOYSA-N 445.497 1.763 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(-c3ccccc3)cc2)CC1 1312232689 VTMHPWQKCJVCOK-UHFFFAOYSA-N 426.542 1.691 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CC1 1314740863 DIWOUQKVGOSQQB-LAUBAEHRSA-N 429.546 1.849 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 1352234506 FWPIQMJJCDQSAH-HNNXBMFYSA-N 426.452 1.748 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358935062 VXWLOZPLJYKQSC-INIZCTEOSA-N 435.525 1.880 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358967698 QHJDJLYBECKFLW-UYAOXDASSA-N 445.589 1.966 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@H]1CCOC1 1358988769 BZJIGMXXAPJGNB-NRFANRHFSA-N 446.515 1.579 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359035009 IPNWHZYAIXVOTH-GOSISDBHSA-N 435.594 1.285 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359081504 CYFDPNWMBYCPQC-BBRMVZONSA-N 434.342 1.801 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359137171 HFPYVKPQBQUBQX-KGVIQGDOSA-N 449.552 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359334585 KRCBEXDAXFOWAS-MOPGFXCFSA-N 443.573 1.379 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1360475713 CVYQHPDHPZVSCB-PBHICJAKSA-N 425.493 1.493 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1360793478 FIPBRCRGAARNSR-LAUBAEHRSA-N 442.545 1.486 30 10 IDEE COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 1439291907 WOFKKDZWTCBLHA-HXUWFJFHSA-N 437.477 1.909 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)s1 1448439157 POZDSWLNIDXGAO-KBXCAEBGSA-N 428.576 1.439 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1452484953 GWKCUQJGYXMXMP-OXQOHEQNSA-N 437.525 1.834 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)CN(C)S(=O)(=O)c3ccccc3)c2C#N)C1 1461785423 HIFUTPZFCHBSKL-UHFFFAOYSA-N 432.527 1.784 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 1475467526 MYCBOMMKUNDQCQ-UHFFFAOYSA-N 428.532 1.093 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1=O 1476567201 RVUQSEOJRWOJPW-MAUKXSAKSA-N 446.504 1.245 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1495818181 HFMFOZVTEFULQV-KRWDZBQOSA-N 445.593 1.535 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCCS(C)(=O)=O 1499161948 CSAUTPKCXDFIEG-UHFFFAOYSA-N 431.566 1.649 30 10 IDEE CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1501340699 RNRKHNOVKQFIHS-OAHLLOKOSA-N 448.549 1.593 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H]1C 1502322902 HIEITMQWYCBLQH-MRXNPFEDSA-N 431.566 1.286 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1502971160 AXSYNPVRSKVKSI-OOADYSHXSA-N 444.536 1.704 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507554730 WUSUTZCMGCFUCT-IBGZPJMESA-N 444.580 1.828 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507626351 NQLSQLCDCVHFTO-SFHVURJKSA-N 444.557 1.886 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507630967 KEYLUVUYNQAFCK-MJGOQNOKSA-N 445.593 1.037 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)CC1 1507731183 CLFJSTNEGZZBNB-HXUWFJFHSA-N 428.581 1.720 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nccn2C(F)F)CC1 1507741657 YITNQEMVDRBTON-OAHLLOKOSA-N 433.463 1.735 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1507800386 VJEYWCZVJZOLID-NSHGMRRFSA-N 433.553 1.448 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1507982319 MAHLYUQWSIIUMC-UONOGXRCSA-N 426.568 1.493 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1508021585 XLRIKKKJTLEAPK-UHFFFAOYSA-N 435.532 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508080828 DWMSERKYNMVFIM-QGZVFWFLSA-N 439.476 1.525 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C 1519205868 GTEUOHSIOCSOQU-NMEJYPJZSA-N 442.589 1.885 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)C2)nc1 1523932722 GHNAGOUEOUGCSE-VQTJNVASSA-N 436.468 1.971 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(-c3ccc(OC)cc3)nn2)c1 1526861413 ZHSRVYCQKOPSDO-UHFFFAOYSA-N 445.479 1.763 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC 1539002874 YBVASHDGYRATDE-CQSZACIVSA-N 431.566 1.468 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1539013027 HQVZVMBCCCCOTD-PKOBYXMFSA-N 443.573 1.801 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1539102293 WBYWLIKBQVUBRW-KRWDZBQOSA-N 445.545 1.608 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539139059 ADAOGRMAUDPEJI-HSZRJFAPSA-N 444.580 1.088 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1539202369 HKZLMOVZQVZTSM-GOSISDBHSA-N 443.573 1.544 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1539317738 HIMLZXVEVNOYBX-IBGZPJMESA-N 434.500 1.218 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1540170972 USIRNXXHKSHTOS-IBGZPJMESA-N 447.561 1.846 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1540873771 JFDXIYZXBDSYLG-RBUKOAKNSA-N 438.532 1.449 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1540898064 YZPDGYBEABGIML-PMACEKPBSA-N 437.566 1.024 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1541657242 FCBOZBGUPKBDRX-KUHUBIRLSA-N 443.474 1.214 30 10 IDEE Cc1c(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)cnn1CCC#N 1544312365 KPAIQWBFZAFVJV-GOSISDBHSA-N 425.489 1.709 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1548315841 AKNGYMCSLATQJU-VQIMIIECSA-N 428.562 1.924 30 10 IDEE COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555425769 DRRXQJQATQMIBQ-QFIPXVFZSA-N 427.553 1.857 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCS1(=O)=O 1555557784 CKXRPHLSQKBUJL-SJORKVTESA-N 425.555 1.853 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1558329368 OLEVLBQDARDMQK-IAGOWNOFSA-N 434.518 1.209 30 10 IDEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1564530499 DGSTWRXFHCBAHQ-MCIONIFRSA-N 435.554 1.752 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN/C(O)=C1/N=CC=CC1=O 1587549986 HEOMXBPPDFGLQJ-STGLLQLASA-N 427.509 1.181 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1588045399 KAFKYDNQCPSCKL-YCRPNKLZSA-N 445.520 1.189 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1588698048 XFGAURYAYKGKJC-FGTMMUONSA-N 449.552 1.550 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1588806243 KVDQZLZUAMUDAG-AVRDEDQJSA-N 442.951 1.546 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(CC)(CC)OC)CC1 1588924112 VJHVTVVCFMOGAS-QGZVFWFLSA-N 430.553 1.400 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCSC1 1595530204 WQELERWCCHAGMY-AWEZNQCLSA-N 449.606 1.482 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1595544868 NIIFWJLRCCBMRY-INIZCTEOSA-N 444.561 1.417 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595569477 HTLNEHOJAXCBLT-UHFFFAOYSA-N 443.596 1.057 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)C(=O)C1 1595776638 CJOJTTHJVFYOHY-UHFFFAOYSA-N 429.546 1.665 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(N(CC)CC)CC1 1595789541 WFKKKZONDNUWKW-UHFFFAOYSA-N 433.582 1.647 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F 1596092455 BTBNTKAYIWKWNS-UMVBOHGHSA-N 436.463 1.791 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1ccccc1)[C@H](CO)C1CC1 1597703805 DKWDVUNQQHXRGP-LJQANCHMSA-N 427.526 1.915 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1606957264 DSUBUFWYMGHDPK-LJQANCHMSA-N 433.538 1.051 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)c1 1608294115 HRWZZZJHYRRTIE-UHFFFAOYSA-N 441.444 1.677 30 10 IDEE C[C@@H]1CCCCN1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1612771538 WVBQUFWOLLKVEA-MOPGFXCFSA-N 429.569 1.784 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnc(Br)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1617488363 XMJCTJBBUBLPIO-ZANVPECISA-N 449.124 1.617 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF 1617799857 UINXFMIYJULGAN-FUHWJXTLSA-N 428.468 1.554 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1618350069 FLUQVTWEXKXEPT-MUUNZHRXSA-N 435.575 1.599 30 10 IDEE COCCCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1619830345 WRVOOEMFRAJVDZ-ZZEZOPTASA-N 425.493 1.648 30 10 IDEE COCCN(C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1619864546 UOZRVLRPMZNFMN-CZIZESTLSA-N 426.477 1.563 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2cccnc2)nnc1N1CCC(F)(F)C1 1620384524 BUQMMONODWSRJU-ZCXUNETKSA-N 429.431 1.636 30 10 IDEE C=CCOC[C@@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)C(=O)OC 1626204760 LUBAJAAOANKVAZ-HZPDHXFCSA-N 427.295 1.877 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1 1631224459 FVULDMKVKNKIRI-MRXNPFEDSA-N 441.550 1.451 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCNc1cccc(Br)c1)c1cc[nH]n1 1631575213 OPZCYLTVNAJDLH-UHFFFAOYSA-N 438.282 1.684 30 10 IDEE C#CC1(F)CN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1633366075 WAGKTROTBVBCPB-MRXNPFEDSA-N 428.489 1.906 30 10 IDEE C#CCCN1CCC(NC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1634350445 CACBAOPXFIDBIJ-XBVQOTNRSA-N 425.451 1.576 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1cccnc1=O 1635985764 AUOQNKSYQZSTBF-UHFFFAOYSA-N 431.518 1.049 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)C1 1638203598 SEHAJDNFAYYVMA-DKEWWPDHSA-N 443.422 1.673 30 10 IDEE C#CCN(C(=O)c1ccnc2c(C(N)=O)cnn12)C1CCN(C(=O)OC(C)(C)C)CC1 1638331221 NUSPHGXGUQWGNW-UHFFFAOYSA-N 426.477 1.303 30 10 IDEE C#CCN(CC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2)C(=O)OC(C)(C)C 1643531611 MKHKYEMNKITQNY-DEOSSOPVSA-N 441.528 1.887 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1649206745 FVEFOMZFZPAGHR-OAHLLOKOSA-N 428.514 1.279 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1655416289 TVOWZFXYQUSGKG-TWMKSMIVSA-N 447.536 1.452 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1655499718 OILCUMCFUUBKGY-UHFFFAOYSA-N 433.896 1.571 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)c1 1656901664 UYXVRXHDFOQDJF-LFUKPOHLSA-N 430.530 1.539 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCn3c(Cc4cccc(F)c4F)nnc3C2)nc1 1659631720 CMJYFINKWOXSSS-UHFFFAOYSA-N 444.467 1.703 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 1664904333 XTHVBKBVNAUCGQ-UHFFFAOYSA-N 434.436 1.944 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC3CCN(S(=O)(=O)C(F)(F)F)CC3)CC2)cc1 1670234515 DYHQATTVXLTAFY-UHFFFAOYSA-N 445.467 1.704 30 10 IDEE N#Cc1c(CCCNC(=O)NCC[C@]2(O)CCCOC2)nn(-c2ccc(F)cc2)c1N 1683715901 LCNSTJYUOCTLQT-OAQYLSRUSA-N 430.484 1.629 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@H]2COCCO2)c1 1689872185 QYZBDFMLPSODMK-NRFANRHFSA-N 446.511 1.736 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(C)C)C1 1690669993 UXLSCKLXGQTKFW-KRWDZBQOSA-N 437.504 1.757 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690673412 VOYLROKNFDLHKP-UHFFFAOYSA-N 446.437 1.802 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CC2CCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692507841 WHPPTWJOAGNJFM-CZIZESTLSA-N 443.552 1.959 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)C1 1692842586 CRTVHXUPJZCULA-NRFANRHFSA-N 439.476 1.842 30 10 IDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1692880308 RFFCJCXLGSSYHI-NHCUHLMSSA-N 426.452 1.976 30 10 IDEE C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1693735330 OMRCGFFIDZILJY-JCFLCSRNSA-N 427.509 1.162 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1698494588 XENKBFVRDIAALQ-HIFRSBDPSA-N 441.458 1.027 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1705490140 CWHRNRHDQPWXBS-OSPHWJPCSA-N 449.559 1.760 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1705563184 SCGRGRUJDRKBKG-MRXNPFEDSA-N 438.575 1.589 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1705567388 XPNBIKXBSXVBNV-KRWDZBQOSA-N 438.513 1.047 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705570463 PKOFHLHEYNVKGB-RBUKOAKNSA-N 427.530 1.236 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1705581901 OCTPFANESAQVRZ-HSZRJFAPSA-N 432.532 1.003 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705737426 QROXTFBAFMLXKZ-JKSUJKDBSA-N 441.554 1.050 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705812374 XZSIJMNVQDGJOJ-HZPDHXFCSA-N 426.587 1.596 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2CCCC[C@@H]2C1 1705819598 PKZSHWCEWZCWCA-QZTJIDSGSA-N 438.598 1.252 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1705825026 HGPGLPCHZSWONO-UHFFFAOYSA-N 426.525 1.223 30 10 IDEE C=CCn1c(N2CCN(C(=O)c3ccccc3O)CC2)nnc1[C@@]1(OCC)CCOC1 1705893938 WJYWCYCLWTYUTF-JOCHJYFZSA-N 427.505 1.784 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705909010 ZXTNDEGXDRPLID-IAGOWNOFSA-N 442.495 1.546 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1706462085 BETIUGUSOFRTOS-OXQOHEQNSA-N 436.582 1.425 30 10 IDEE CCc1nnc(N(C)Cc2ccc(OC)c(O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1709036358 GFTBDXWPTRWTIX-VXPUYCOJSA-N 426.477 1.718 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1711290984 JXMFZDXZQDWPQL-KRWDZBQOSA-N 439.520 1.827 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1711418280 JFFRDJPELOQJTR-SFHVURJKSA-N 444.561 1.497 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(OC)c1 1712648583 XPZCVXDOJXGUCL-SXLOBPIMSA-N 427.505 1.982 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722315964 XFJRDXHDPSUSHH-SJORKVTESA-N 446.552 1.763 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722369195 ZLTRHBJWDAEVCH-HKUYNNGSSA-N 435.594 1.283 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2Cl)CC1 1722436614 CNFLSJUONUWMIX-QGZVFWFLSA-N 433.965 1.637 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2cccnc2)CC1 1722449366 QHVGTELYKSZPBW-UHFFFAOYSA-N 429.528 1.867 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N(C)C2CC2)CC1 1722449554 UTJYBUOMYVGQSD-GOSISDBHSA-N 435.576 1.712 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1 1722517346 JWFJVUQDZQTFMJ-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1730763326 FKJAMFVVAYFORA-UGKGYDQZSA-N 426.521 1.968 30 10 IDEE COCCOC1(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1730881592 ULRRNKNRKHITDG-KRWDZBQOSA-N 428.493 1.281 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1731008359 NAQXXYBZYLECBH-LJQANCHMSA-N 444.561 1.183 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740571496 ZVIBWCDLNBDUQI-IBGZPJMESA-N 449.563 1.881 30 10 IDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740591507 TTZZNHKASBXTJW-NRSPTQNISA-N 428.581 1.922 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740685389 MXQTUQCDMQPRBZ-PMACEKPBSA-N 443.548 1.843 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)C2CC2)CC1 1740692065 DORVRIYGWZHJJV-FQEVSTJZSA-N 447.381 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[S@](=O)C(C)(C)C)CC1 1740704739 SXRJPJKFCPKFGF-HKBQPEDESA-N 443.577 1.248 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCS(C)(=O)=O)CC1 1740705409 GITNPJBMGHVGST-UHFFFAOYSA-N 444.561 1.049 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740719116 ZDTRBDMLVLTFKF-SJORKVTESA-N 438.561 1.525 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1740758967 DNGODKYTEKDQLF-PXNSSMCTSA-N 425.537 1.707 30 10 IDEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1740871103 QHVHFQXEVIBCBH-HNNXBMFYSA-N 437.342 1.964 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740964568 QVMNAWSVIDIBKL-ROUUACIJSA-N 442.495 1.546 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)COCC2 1741906891 ZOYTYLYLKWEJLP-GJZGRUSLSA-N 432.550 1.748 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nccc(C(F)F)n1 1741924658 CGKHDSNXOLQLLJ-QFYYESIMSA-N 444.443 1.106 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1748683555 TZXYKARRYFTLEF-JLUOLNIDSA-N 438.488 1.705 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)COC)CC1 1748708566 BICCMCMBULNCDQ-UHFFFAOYSA-N 425.489 1.772 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1748929212 GSKBOXTXSBTXBS-HNNXBMFYSA-N 435.516 1.914 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSC(F)(F)F)CC1 1748978811 PHBNGHVUKZQSJO-KRWDZBQOSA-N 433.500 1.938 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2n[nH]c(C)n2)CC1 1749010015 ZLJTYAMEWDMNFC-UHFFFAOYSA-N 433.520 1.284 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCOC)CC1 1749187329 BOVASVJOIVFZCW-UHFFFAOYSA-N 430.509 1.561 30 10 IDEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749398783 ROSIPELUWGHUEN-UHFFFAOYSA-N 444.580 1.799 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1749519747 RIHNPZPDBVYEMS-LSDHHAIUSA-N 428.580 1.160 30 10 IDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749642447 GJMPFGXYYYZWPY-IBGZPJMESA-N 440.504 1.818 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(C)c1 1749650936 JTOGELSSRAYZOJ-FUHWJXTLSA-N 446.577 1.840 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1749715958 XWRLAAQGUVDEJE-MOPGFXCFSA-N 446.577 1.327 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CC(=O)N2CCOCC2)C1 1749717635 NRUHLPOFMCBABT-FQEVSTJZSA-N 425.533 1.703 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749741239 UTZNJROQVNFNGX-QGZVFWFLSA-N 449.625 1.078 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOCC(F)(F)C(F)F)CCO1 1750387437 YSFWQAGBMYPNEI-LBPRGKRZSA-N 434.394 1.160 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)Cc1ccccc1 1750909316 BXZVRPUKNKFAKD-MRXNPFEDSA-N 432.550 1.770 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)C1 1751282629 PEIRSNBUUAUJTM-MBSDFSHPSA-N 438.532 1.962 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnnn2C)cc1Br 1751495917 LVSMVDAMHHHNMO-OAHLLOKOSA-N 443.309 1.922 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1760189912 RMNIRAIRABJUIJ-KRWDZBQOSA-N 430.530 1.848 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1760219675 KRWUXBKXZKIFFC-WOJBJXKFSA-N 431.606 1.908 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1760222024 UHSHVGNXKMYIEK-UHFFFAOYSA-N 445.527 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1760269323 FJANTEOFCJMFMH-HTAPYJJXSA-N 443.573 1.717 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760522690 AXUPDKZKHVNBFA-HOIFWPIMSA-N 426.521 1.723 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1760551058 RYBJEGZCUPMQGB-KRWDZBQOSA-N 448.545 1.944 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1760688279 FBLWFMMHVPFXPT-GHMZBOCLSA-N 428.506 1.780 30 10 IDEE CCc1nnc(N2CCN([C@@H](C)C(=O)NCCCOC)CC2)n1Cc1ccc(C#N)o1 1763092648 UMEOCESINZIFIH-INIZCTEOSA-N 429.525 1.017 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1766244813 CIHGZEJUXJUYTP-HNNXBMFYSA-N 447.565 1.317 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1766718479 GQZYAWBSJLPIFR-QAPCUYQASA-N 448.549 1.858 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1767544704 ZQYBOZPWMMLMTI-JOCHJYFZSA-N 437.504 1.620 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1767705661 SENRBXVSVRYFTP-GOSISDBHSA-N 432.550 1.761 30 10 IDEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1Cl 1770192460 FOXGKGHZZDKKQE-OAHLLOKOSA-N 430.896 1.953 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC#CCN2CCOCC2)c1 1850069788 FJDMDIPSYNEIHJ-FQEVSTJZSA-N 435.590 1.448 30 10 IDEE COc1ccc2nc(N3CCC(C(=O)NCC#CCN4CCOCC4)CC3)sc2c1 1850340428 GYXZBXJEVCYHNE-UHFFFAOYSA-N 428.558 1.973 30 10 IDEE C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CC[C@H](NS(C)(=O)=O)C1 1851547365 OLMYNDRMPGEDLK-WBVHZDCISA-N 437.525 1.942 30 10 IDEE COC(=O)N1CCC(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1 1851741470 SJPULMRBSDYCMY-HXUWFJFHSA-N 431.489 1.659 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC(C)C)CC3)CC2=O)CC1=O 1855618208 KUKVEDUPGNAVOO-MSOLQXFVSA-N 439.578 1.094 30 10 IDEE CCC(CC)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855829935 KQLSHPRHGFKXQK-GOSISDBHSA-N 432.546 1.428 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cncc4ccccc34)C2)CC1 1857040494 FDPFFXCMWMWGRC-KRWDZBQOSA-N 426.498 1.789 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 1862631748 SOFIGJWGEDCHLN-LJQANCHMSA-N 425.393 1.757 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1871034449 PTWXUYJQYCQTHM-UHFFFAOYSA-N 440.500 1.842 30 10 IDEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701553 SSRLPISZQYBWLL-UHFFFAOYSA-N 442.568 1.899 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 1985010334 APBJVNAFBDVJIS-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2047135812 GYIDBWHVHSJTID-UHFFFAOYSA-N 431.342 1.550 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2085301330 IWTIPMUBDZXUFX-HNNXBMFYSA-N 437.346 1.935 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCOC1 2255628456 ILKIHAHXRPPOOT-FQEVSTJZSA-N 436.318 1.123 30 10 IDEE CC(C)[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255649709 LRQRZEQQABGOGO-OAHLLOKOSA-N 436.362 1.998 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CC2)n1 2255814931 GJIBNBRVGDWQBV-UHFFFAOYSA-N 434.346 1.754 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2255825771 FNYUXTXGFFSXRY-HUUCEWRRSA-N 432.330 1.553 30 10 IDEE Cc1ccc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2264094477 RJRFOVAZZYASRG-QGZVFWFLSA-N 434.342 1.796 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267013498 LFJRQAZVXYRWBX-UHFFFAOYSA-N 449.313 1.126 30 10 IDEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCOC1 2267140421 QFQJVGNKOLXYJV-HSZRJFAPSA-N 440.353 1.730 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267179657 SUEMRLYDNODHQF-RRFJBIMHSA-N 446.357 1.705 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267183518 GVXDJNFCAABYAK-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE CO[C@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2267536395 JEWFIULMVXFZGP-CABCVRRESA-N 448.329 1.140 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267536890 FQWXMNJSDMUUIP-MJGOQNOKSA-N 441.337 1.823 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267613857 GFJDTYRAXCMAPO-HZPDHXFCSA-N 447.341 1.481 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268634749 KCKDVHQXSHBVON-OAHLLOKOSA-N 449.313 1.776 30 10 IDEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1C#N 2286046733 YWCKAIBGQIGHPB-QGZVFWFLSA-N 428.426 1.551 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2337193305 CJQHSUDOPGYKLC-SOUVJXGZSA-N 446.357 1.847 30 10 IDEE C=CCC1(S(=O)(=O)N2CCN(Cc3cn(-c4ccc(OC)c(F)c4)nn3)CC2)CC1 6242 BHASSCHKURKDTR-UHFFFAOYSA-N 435.525 1.971 30 10 IDEE CN1C(=O)N(C[C@@H](C(=O)NO)[C@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C 11616936 GFUITADOEPNRML-DLBZAZTESA-N 436.553 1.990 30 10 IDEE in-vitro Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 102742886 FQDJFNPQSFSDEN-LCPUNJGISA-N 442.491 1.930 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)C1=O 438633791 HGOHRKMVFNFMDC-ZDUSSCGKSA-N 436.262 1.708 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1 460756227 GJOAIMRQGXWLND-UHFFFAOYSA-N 435.513 1.905 30 10 IDEE CC[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@]2(CCOC2)O1 478333897 DHWAWWMPEOULPU-DENIHFKCSA-N 447.557 1.755 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 502679639 MDVLTBDMOMTVBW-DAWZGUTISA-N 435.550 1.709 30 10 IDEE CCOC(=O)c1cnn(C2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1C 510627654 DTWWOFQHHXGSCN-NRFANRHFSA-N 444.580 1.698 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccccc2C)c1=O 512742078 GHHVQMSSMOTOQK-UHFFFAOYSA-N 435.553 1.699 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 518799798 UDQQKAQUBHBSKJ-OALUTQOASA-N 432.569 1.465 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 549670172 WYQMSMRPBFUMGS-MSOLQXFVSA-N 449.581 1.534 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@H]2CCC(=O)NC23CCC3)CC1 555131829 CMKDSVZRRVAMCG-KRWDZBQOSA-N 438.488 1.246 30 10 IDEE CC(C)N1C(=O)C[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 557994648 SDDCMGZNUHLJEH-YJBOKZPZSA-N 433.875 1.992 30 10 IDEE C#CCn1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c2ccccc2c1=O 585170844 SMYFYLVXSWSMOP-MRXNPFEDSA-N 430.464 1.708 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCCO1 603798242 LDBBGDZTTAEKCJ-OAHLLOKOSA-N 447.944 1.008 30 10 IDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 611546489 HQKRGPRIUFLOGF-UHFFFAOYSA-N 425.507 1.082 30 10 IDEE Cc1cc(NC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)n(-c2ccc(F)cc2)n1 741341373 BACXQRSFSOBKPX-MRCUWXFGSA-N 441.419 1.718 30 10 IDEE C[C@@H](CC(=O)OCC(=O)c1ccc2c(c1)OCO2)/N=C1/NS(=O)(=O)c2ccccc21 745496385 MLEIVFLSVYJHGI-LBPRGKRZSA-N 430.438 1.659 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 747739094 UAMAQIZIJXZTCQ-UHFFFAOYSA-N 435.546 1.084 30 10 IDEE C=CCN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)[C@H]1CCS(=O)(=O)C1 749351481 LUMRTLXKXKODQC-LBPRGKRZSA-N 426.296 1.240 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 758079732 QFRZIRIYRAAXOJ-UHFFFAOYSA-N 444.491 1.549 30 10 IDEE CCc1cc(Br)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 764261570 HHGGCRYNNUEVPM-NXVVXOECSA-N 435.278 1.593 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(CC(C)C)s2)c1=O 772898714 QGTYJIXCRKLPMH-UHFFFAOYSA-N 446.598 1.407 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 779379352 APUGNINVADHWTI-BBRMVZONSA-N 444.340 1.931 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 782456745 HIZQNTWTGMXTLG-QGZVFWFLSA-N 433.511 1.145 30 10 IDEE CC(=O)c1c(C)nc2c(c1-c1ccco1)C(=N)C(C(=O)NC1=CN(C(C)C)NO1)=[S+]2 1085980912 QYIXGEXAXCZWIW-UHFFFAOYSA-O 426.478 1.923 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc(COc3ccccc3)n[nH]2)c1 1154689321 NOLJWRWBWMOZEP-UHFFFAOYSA-N 429.433 1.750 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1B1OC(C)(C)C(C)(C)O1 1157542727 KPTRIJXYPUXJRL-WAIKUNEKSA-N 441.337 1.887 30 10 IDEE CNS(=O)(=O)c1ccc(C)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1161796657 APCXASMCCBSEDZ-UHFFFAOYSA-N 431.470 1.421 30 10 IDEE CC(C)(C)OC(=O)[C@]1(NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOC1 1195893951 RQUSSRXDUHUKOQ-IERDGZPVSA-N 434.562 1.547 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)c(=O)nc1O 1230347043 ZRVKUCOMLQQTBK-ZDUSSCGKSA-N 426.864 1.812 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1286386759 HBIIJKZAOGIXDV-JKSUJKDBSA-N 436.509 1.372 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286388875 WIYPPZZZLUJLMO-IBGZPJMESA-N 445.589 1.921 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1286391471 IWLXENWBHBEBGN-OAHLLOKOSA-N 444.529 1.839 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286448168 QOGCFKAZAWJWIH-XLIONFOSSA-N 439.516 1.745 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-n2cncn2)nc1 1286463685 KJIUKAQSASXCSX-UHFFFAOYSA-N 439.483 1.927 30 10 IDEE C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CN1CCN(C)CC1 1292958815 LWIIHYIAZILSAH-OAHLLOKOSA-N 434.382 1.757 30 10 IDEE C=CCC[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1298021422 SCIKZMTUIRNJBQ-AWEZNQCLSA-N 433.324 1.742 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1299484428 SDDLHGFIBJKIMF-UXHICEINSA-N 430.464 1.982 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)cc1 1300125185 BZDLDUADRWKADI-GOSISDBHSA-N 433.534 1.235 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1300309567 VAIUNBBGZBWWTO-RDJZCZTQSA-N 443.529 1.643 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1300466584 YGNUDVMVNHWYOR-RBUKOAKNSA-N 446.577 1.515 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1300577892 DVQDCFUGWPFYQO-LJQANCHMSA-N 439.541 1.650 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OC(C)C)CC1 1300707168 WRODWNMXJJYOKQ-UHFFFAOYSA-N 436.560 1.991 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN2CC)CC1 1300723669 ZADZTNOLHKHMIF-PMACEKPBSA-N 428.581 1.970 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300754821 HWSFGXLQGQBEPZ-MRXNPFEDSA-N 447.590 1.106 30 10 IDEE C#CCSCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1300778402 VILGLLBRSHEGTF-UGKGYDQZSA-N 449.621 1.455 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300891747 MOOIOPFNTFCXKY-GGPKGHCWSA-N 437.610 1.977 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301508489 MWJTXDXROHOPGI-OAHLLOKOSA-N 445.593 1.629 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1301515038 PMBLXOXXFADCBE-QGZVFWFLSA-N 427.505 1.775 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301520892 SJJAUYWNZHCSMT-LJQANCHMSA-N 438.532 1.323 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302628098 JGPDIIUCDYHWIE-MEUCICPISA-N 427.509 1.129 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 1302924491 NHLXDHAWLHLGKM-UHFFFAOYSA-N 442.328 1.405 30 10 IDEE Cc1ccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1304345837 IVAGRZOPYMMSEL-LZICOFPGSA-N 439.476 1.293 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1305640464 GDQMUAFSPFYSIM-INIZCTEOSA-N 444.561 1.602 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C2=O)cc1 1312484938 FCXGVQMJXUGZEW-CQSZACIVSA-N 432.424 1.330 30 10 IDEE CCCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1313496695 QNZFGPOIOFENLZ-HZPDHXFCSA-N 449.556 1.851 30 10 IDEE COCCOCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316259557 WDPAWNVHVUBFQF-LJQANCHMSA-N 441.536 1.776 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc([C@]4(C)NC(=O)NC4=O)c3)cc2C1=O 1321334443 MGAAGXPMFQQJFW-QHCPKHFHSA-N 432.436 1.453 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccn(CCn3cccn3)n2)c1 1350734568 KOPRKMIILDKPMK-LYBHJNIJSA-N 441.517 1.845 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1358881283 BZYZBUCLRKLKNW-SJORKVTESA-N 439.516 1.669 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1358889842 HNEYKZYCGDRHEL-BBWFWOEESA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1358965349 SSWHDEQRZZJGIB-MISYRCLQSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1358973778 FJEUJCGLMADTHU-UHFFFAOYSA-N 425.924 1.230 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1358998876 WIIQCFUOCCBYGF-JBYIUTFZSA-N 448.589 1.209 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)C(C)(C)C)CC1 1359040353 QNTDQIULJKTWQL-QGZVFWFLSA-N 432.569 1.443 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)O)CC1 1359046859 INURQXJMVZQHAO-UHFFFAOYSA-N 444.561 1.006 30 10 IDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359049720 VIIAYMKRTIKBLY-MRXNPFEDSA-N 427.578 1.979 30 10 IDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC#C)CC#C 1359050251 LEAVZRBHBXZNRX-UHFFFAOYSA-N 440.598 1.986 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1OC 1359114142 ZBAJZJJMQNMEAV-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359300339 ZUOYBJKKYXQQGW-MSOLQXFVSA-N 432.569 1.164 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1360274433 KQTRULRAQJZUQZ-QHCPKHFHSA-N 435.532 1.788 30 10 IDEE C#CCCN(CCOC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1437997511 CNBKKWNGZMUJRJ-IBGZPJMESA-N 436.306 1.714 30 10 IDEE C#CC[C@@H]1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1438015974 FMJHZCOKQGYCTI-OAHLLOKOSA-N 429.498 1.447 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)C1 1452722183 SDPZHLKRQRSRAG-NSHDSACASA-N 444.289 1.974 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(c2ncc(I)cn2)CC1 1460580740 XEPGCSVKBAQZHM-GFCCVEGCSA-N 440.289 1.154 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1469871796 GNAKUWFRYNFDAO-YZGWKJHDSA-N 447.488 1.013 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)c1 1471252102 QQJOVMQDTXULQA-OAQYLSRUSA-N 441.553 1.537 30 10 IDEE COC1(c2nccn2C)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1471677305 TZZQYMAQGQZTMG-UHFFFAOYSA-N 445.545 1.403 30 10 IDEE C=CCCC[C@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1471896026 YLPZCBDXVCSDDI-HNNXBMFYSA-N 446.566 1.815 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H](O)c2ccccc21 1473851178 YLNORXGCOWSZHB-QMLHBMHXSA-N 433.530 1.714 30 10 IDEE C=CCN1CC[C@H](N2CCNC(=O)[C@@H]2c2ccc(I)cc2)C1=O 1473853744 JOJVZAMRUFMDBR-GJZGRUSLSA-N 425.270 1.551 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1504887917 GDLISTQHVHXJLW-INIZCTEOSA-N 425.555 1.363 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1507536097 AHXVAUQEPGEXID-HOTGVXAUSA-N 434.541 1.523 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1507700473 QQJOSKUFJVXPOF-ROUUACIJSA-N 438.507 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1507739326 PBZLYSGTOVDFHZ-RTBURBONSA-N 440.548 1.644 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507810271 LENVDXMMKWNQDA-AOIWGVFYSA-N 441.598 1.561 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1507831950 IPSMDOYZQMKRHC-RTBURBONSA-N 434.585 1.411 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCOCC2)C1 1507849509 XXLAFGYWXWSJBW-OALUTQOASA-N 436.553 1.981 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508085247 FOUFXMICDVQKCA-OAQYLSRUSA-N 428.468 1.341 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1508144935 UZAMFBQNIBILJT-QZTJIDSGSA-N 432.594 1.784 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)o1 1510830265 SGTSAINZCUCTBF-CVEARBPZSA-N 436.463 1.931 30 10 IDEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)cn1 1517379423 GAJDMGTZJGYIDN-UHFFFAOYSA-N 440.533 1.070 30 10 IDEE COCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1519400028 VKSRBSXBPKQFHS-SFHVURJKSA-N 428.493 1.539 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC 1539002872 YBVASHDGYRATDE-AWEZNQCLSA-N 431.566 1.468 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1539211440 LTBAPTYJNLEERX-HRAATJIYSA-N 448.520 1.516 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1539359484 IFNWYOWEEIOVMR-LSDHQDQOSA-N 448.483 1.702 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)n1 1539413979 PSMNMKKYTURISC-UHFFFAOYSA-N 447.503 1.441 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(COC)cc2)CC1 1539431383 UOKKMZDBSLYHAP-XMMPIXPASA-N 439.560 1.880 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1539865683 NUADSXORZYUPRI-SFHVURJKSA-N 438.569 1.239 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)C1 1540893281 ZNRIDRZJTLKLMJ-SJORKVTESA-N 437.522 1.034 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1541285588 SWOBADOYQAAWMN-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCSCC2)CCOC1 1541725784 OSUZPAOVJVBDHT-PMACEKPBSA-N 438.573 1.809 30 10 IDEE CC(C)(COc1ncccc1C(F)(F)F)NC(=O)CCn1cc(C#N)c(O)nc1=O 1545935352 GIZDXXBOUIGXGA-UHFFFAOYSA-N 425.367 1.598 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1552661970 FKUYPNINDKWSOC-WOJBJXKFSA-N 443.596 1.855 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](n4ccnn4)CC3)CC2)cc1 1557702266 BIEPRBVSXYMZFX-IBGZPJMESA-N 442.545 1.804 30 10 IDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)C1 1558691439 KECPPDPDUMIJPH-UHFFFAOYSA-N 431.426 1.224 30 10 IDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1561575427 ZNCFJLVNAFYIAC-SAKMYQHLSA-N 428.576 1.975 30 10 IDEE CCS(=O)(=O)N1CCC(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1564535050 SKIWICYAUKQNCD-GOSISDBHSA-N 434.566 1.601 30 10 IDEE CC1(C)NC(=O)N(CCCNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1565005400 RGFWJVKDPFJXLB-UHFFFAOYSA-N 426.521 1.542 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 1567728356 AJYMZYDFOASSLN-UHFFFAOYSA-N 434.477 1.824 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1583957212 CQBVSTYKSJEJGO-GXTWGEPZSA-N 436.427 1.876 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@](C)(O)C2CC2)c1 1587690019 WYCSMYBJZDGLID-HSZRJFAPSA-N 431.500 1.952 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2COCCO2)c1 1587692679 IFMCTZVOHDLSGK-AZUAARDMSA-N 439.516 1.644 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1588035781 XTMUSJRUXNRMBN-ULQDDVLXSA-N 442.607 1.382 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](CC)OC 1588099165 IQNYPWVMSKYDCC-GOSISDBHSA-N 429.546 1.693 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1588806180 ITGPWFPYGHZEFG-AZUAARDMSA-N 440.523 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1588884539 DMUSCJGFUCRNRC-UHFFFAOYSA-N 433.520 1.391 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1589141953 PPIWFQHBVDRFKC-NRFANRHFSA-N 447.488 1.545 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1593690714 NEFBSGMNSHRJMM-SFHVURJKSA-N 431.541 1.419 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1593695478 FKAWFZIQLHQHHW-JKSUJKDBSA-N 425.493 1.233 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595465857 AASLRWNCSKTKEA-INIZCTEOSA-N 439.520 1.116 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCc2ccccc2)CC1 1595466234 GWLPLLZYSAYXES-UHFFFAOYSA-N 440.548 1.904 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1595569914 QUWGWPUFBOSEDV-UHFFFAOYSA-N 426.477 1.068 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOc2ccccc2)CC1 1595602744 PLBLEBWXTXTPAD-HXUWFJFHSA-N 440.548 1.633 30 10 IDEE C#CCN(C(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CCN(C)CC1 1597349501 WMSHJSJZAJWKRO-UHFFFAOYSA-N 427.364 1.920 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C3CCN(C)CC3)CC2)s1 1598393483 OIAVMWHTPCYFHE-UHFFFAOYSA-N 440.635 1.430 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NC[C@@H]3CCCN(CC#N)C3)nn2)C1 1610951990 IJYDUCKMMXIPNC-IRXDYDNUSA-N 431.541 1.815 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1OC 1615666398 FOEDXLJVTSZJBS-MOPGFXCFSA-N 447.561 1.739 30 10 IDEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1616929071 GHDVGTOGMDDHCL-FQEVSTJZSA-N 445.585 1.931 30 10 IDEE C[C@@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)c(C#N)cc2C1 1617371121 OWLKKLYBCDYVFP-CYBMUJFWSA-N 430.486 1.944 30 10 IDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C 1618976450 BLDRIFUJPCNBBX-VQTJNVASSA-N 426.521 1.829 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 1633191771 WLDRZPOJSCYAAB-QHCPKHFHSA-N 428.533 1.445 30 10 IDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1634053187 MVSUWWFQHSMAGD-GOSISDBHSA-N 447.561 1.173 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)N1CCN(CCC#N)CC1)OC2=O 1638555652 SGMACIQXROQJTE-QGZVFWFLSA-N 449.552 1.560 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 1643552458 OSFILKNGWGISBV-ROUUACIJSA-N 440.443 1.862 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)OC)ccc1F 1644651203 CCTOCJXRMCTASH-QGZVFWFLSA-N 436.461 1.640 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c1 1653351921 AJRWMYMCVAJXSO-JOCHJYFZSA-N 445.523 1.739 30 10 IDEE CS(=O)(=O)N1CCc2c(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cccc21 1660560193 BBWDPSDINIBQBH-HNNXBMFYSA-N 427.486 1.961 30 10 IDEE COC(=O)c1cc(OC)ccc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1662687106 DRHQNBNXRVSXDR-DOMZBBRYSA-N 439.490 1.519 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1670882144 DQMZIJGFNLTVEW-GFCCVEGCSA-N 437.331 1.639 30 10 IDEE N#Cc1cn(CCNC(=O)NCCc2cc(Cl)cc(Br)c2)c(=O)nc1O 1675557849 UOKHVNVSLWWBJQ-UHFFFAOYSA-N 440.685 1.778 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1689988289 MEKISXUNTVTAMK-INIZCTEOSA-N 435.937 1.910 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1689991757 BZOPOEYMGIMZQM-JKSUJKDBSA-N 428.649 1.952 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1689993983 ORDTZQNAZFSEKQ-IBGZPJMESA-N 428.558 1.727 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1690003681 UTCLLVNQEGGSOQ-RXVVDRJESA-N 434.562 1.359 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)OC)CC1 1690148777 UJQDMNQCAZLROT-KRWDZBQOSA-N 425.533 1.878 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1690597212 MPVAIKJMOXVQLU-LJQANCHMSA-N 447.561 1.738 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690666295 ZFEVHZSFUIHUOT-VBKZILBWSA-N 432.912 1.680 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1692850854 BHYLSMYOUYRPGW-HNAYVOBHSA-N 434.566 1.356 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)NC(C)C 1692910134 FMQCDAHPAIWGAP-AWEZNQCLSA-N 446.581 1.810 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCCOC(F)F 1693747126 LWYSICAHGVEVKX-LSDHHAIUSA-N 448.478 1.788 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)CC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696066731 HNTHYZSFNWOASS-KSFYIVLOSA-N 442.520 1.938 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1696749175 BEYSMGBCBYPFPZ-GOSISDBHSA-N 432.550 1.761 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1698005494 SCBLNLHOBYQAAH-QGZVFWFLSA-N 443.552 1.578 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC1CC1 1705552343 KEBCDPSXHWQMLL-UHFFFAOYSA-N 430.553 1.988 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705563274 UIZYRAQHCIPBHK-HXUWFJFHSA-N 449.540 1.534 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705567029 SMMCCZIOBCBVBH-GOSISDBHSA-N 436.578 1.616 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1705674875 SWQQDSKZRBQPRN-QFBILLFUSA-N 441.623 1.746 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1705732033 LLYXBFQPOIIXGZ-KRWDZBQOSA-N 431.518 1.670 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@@H](C)CC)CC1 1705781057 OHFGXKRTWJCSOY-LSDHHAIUSA-N 426.587 1.596 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1)C1CC1 1705855147 WLWBWZISMYEYJL-QGZVFWFLSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1705898552 PHQDNSRHFIFMMM-AWEZNQCLSA-N 445.911 1.123 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(OC)cc2C1 1705902314 BKZMQMBBRLPYHN-INIZCTEOSA-N 445.545 1.054 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1709900670 FYQSUEVQUVDJMR-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE CCN1CCN(CCCn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CC1 1710299397 UALNYCFRPHOMPU-KRWDZBQOSA-N 442.568 1.772 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@H]3CCN(C(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710433043 VCHLGTBONANDFA-VGSWGCGISA-N 442.520 1.748 30 10 IDEE CN(C)C(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1710980001 NRDUDGUMUVXDAK-QGZVFWFLSA-N 438.305 1.966 30 10 IDEE COCC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C#N)o2)CC1 1712105653 BXOSLRBITCSDSL-UHFFFAOYSA-N 434.500 1.985 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712885240 DSXKJPYEIMGDOH-XUTLUUPISA-N 432.488 1.997 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1722275322 BBWHTCGUQDINBI-MRXNPFEDSA-N 449.602 1.790 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@]2(O)CCOC2)c1 1722306048 WVNNWBCUTRCCOI-HSZRJFAPSA-N 434.500 1.491 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1noc(CC)n1 1722375134 KJSGSNVVCUICDO-UHFFFAOYSA-N 438.513 1.610 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1722527281 FHZGCEHUWCGJPD-UHFFFAOYSA-N 439.582 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCS(=O)CC1 1722689665 VYESCBYAXZRIIF-CQSZACIVSA-N 437.953 1.942 30 10 IDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1723036955 FXNSUHTYCBDCAD-UHFFFAOYSA-N 446.515 1.408 30 10 IDEE COc1ccccc1CN(CCO)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1730307881 JUNVXIXEVXWNMF-GOSISDBHSA-N 436.472 1.750 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1730783444 PTWYGPRTGKMAAR-VLIAUNLRSA-N 447.902 1.930 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H]1O 1731139925 GNPCWIRHOAISOY-NQIIRXRSSA-N 440.548 1.658 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1740621795 PFJGMVDAVHXTMR-ZCNNSNEGSA-N 441.557 1.948 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740623194 PSHZWNQEPMWQQC-CQSZACIVSA-N 443.558 1.429 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCOCC1 1740637812 ABOSLTBDOUPXGX-UHFFFAOYSA-N 445.527 1.779 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(N)=O)C1 1740750196 NWTYLMBQSNFHLF-RDBSUJKOSA-N 428.331 1.612 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1740941248 GDSIKCHPPPLNNW-RTBURBONSA-N 439.626 1.939 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740989697 VOHQMJKVJQMEGZ-ROUUACIJSA-N 433.534 1.325 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1741274978 VUHKFFTYTQYKIL-KRWDZBQOSA-N 434.508 1.130 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741688126 GNPRIORUMZVSAG-UHFFFAOYSA-N 433.520 1.781 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1741801946 HYDYNJUTCCZUOM-KSSFIOAISA-N 436.476 1.682 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1743654472 DJUJMONYUVZNLG-SUMWQHHRSA-N 425.490 1.341 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2c[nH]nc2C)C[C@H]1O 1748333333 RYEGQPFHYDLSPP-WOJBJXKFSA-N 449.515 1.841 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1748698981 KQGMJQZJYYCCRB-MSOLQXFVSA-N 449.581 1.102 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748811552 IKQXIRHMNYCGJF-SFHVURJKSA-N 442.520 1.687 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1748812110 PZPYSBOVFYZHBW-ROUUACIJSA-N 431.562 1.870 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748821258 NRHPYDPZNHZIRK-IBGZPJMESA-N 433.622 1.979 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1N1CCOCC1 1748906589 HPVDSQLCZJPCAL-UHFFFAOYSA-N 446.515 1.665 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCOC1 1748949943 CKFZHBVNWCPGOY-QGZVFWFLSA-N 432.546 1.861 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccnc(-n2cccn2)c1 1748964735 INERUJVNLCLRMV-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1748988478 HMRKRYCBVOMYBO-OAQYLSRUSA-N 428.468 1.678 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1 1749067430 TVLAYVVLAOJRHL-FUHIMQAGSA-N 437.566 1.028 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1749142351 YFRHQMKFTNGVQJ-IBGZPJMESA-N 427.571 1.149 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1749265360 RPEAHEHSADLACV-UHFFFAOYSA-N 427.914 1.772 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749456430 FJFMVFHSGZNOKS-INIZCTEOSA-N 432.525 1.633 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)[C@@H]1CCOC1 1749655617 NDQNVLXTUBODDM-OAHLLOKOSA-N 431.493 1.498 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1749671453 BBHXWLQZDZWDIP-UHFFFAOYSA-N 428.537 1.482 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)C1 1749698325 TXAONFTZPADSNC-CHWSQXEVSA-N 441.583 1.132 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1C(C)(C)C 1749740286 UBFJWFFJTBJSND-UHFFFAOYSA-N 449.625 1.622 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(=O)NC(C)C)n1 1751622544 YOSMXWDKYIMHLI-UHFFFAOYSA-N 445.531 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2c(C)noc2C)CC1 1760268259 GOUWNFSXLKNGEL-UHFFFAOYSA-N 434.504 1.548 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1760352575 SCXJGLQJLWNXNH-CVEARBPZSA-N 429.587 1.732 30 10 IDEE C=CCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760444666 NCPVFNZJFBECMQ-HTAPYJJXSA-N 446.552 1.663 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760552340 KRAFIBQNVIEDQE-JXFKEZNVSA-N 435.550 1.648 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)C1 1761132741 FBZQUUDBMXNGHT-DLBZAZTESA-N 443.552 1.958 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1767372427 FDIVIGABBSTRDU-UHFFFAOYSA-N 434.548 1.996 30 10 IDEE CO[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1768208698 FKYQYQWJNMRFJM-NHCUHLMSSA-N 425.493 1.861 30 10 IDEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1770145598 BGQZXWZWLNBZGI-QGZVFWFLSA-N 440.504 1.503 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1771222934 OIWPPSRZXKKVEO-WSBVMYCUSA-N 447.561 1.658 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C1 1771251616 UARBGZCYKYZQQB-WIYYLYMNSA-N 440.548 1.779 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ccc(C#N)cn1 1849009009 OOTLESFCDSIETG-CQSZACIVSA-N 431.440 1.581 30 10 IDEE C#CC[C@@H](C)C(=O)N(CCN1CCOCC1)c1ncc2c(Br)nn(C)c2n1 1850376642 JGFXWWJWEYDWPJ-CYBMUJFWSA-N 435.326 1.450 30 10 IDEE N#Cc1cc2cc(I)cnc2nc1NC(=O)[C@H]1CN2CCN1CC2 1851669345 YMCFOZHEQPKYIJ-CYBMUJFWSA-N 434.241 1.044 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)CC1=O 1856806352 ZSTJJPFEWLZWPO-NVXWUHKLSA-N 436.530 1.866 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC3CCCC3)C2)CC1=O 1856842855 YRMSDBLNVKEELS-MJGOQNOKSA-N 425.595 1.854 30 10 IDEE COc1ccc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857053857 WWYQNFMRAKYVFB-SFHVURJKSA-N 433.530 1.568 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1=O 1857143940 LWZVMJBFSLWOFQ-KRWDZBQOSA-N 428.855 1.702 30 10 IDEE CC[C@@](C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868794372 BSOHZLPDNNKSFJ-DYESRHJHSA-N 433.578 1.643 30 10 IDEE CCc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155196 ATCWTUMPBBXBFG-UHFFFAOYSA-N 445.395 1.844 30 10 IDEE N#Cc1ccc(COc2cn(C[C@@H]3CCCO3)c(CN(CCO)CCO)cc2=O)cc1 1870348626 FQWXULRSGLKYKB-NRFANRHFSA-N 427.501 1.265 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)c(OC)c1 1874430227 YVMXXJWCTZSICW-SSDVNMTOSA-N 448.549 1.774 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3OCCc4ccccc43)CC2)CC1 1889383648 JSJWWCVLXDNLKX-DEOSSOPVSA-N 425.573 1.949 30 10 IDEE N#Cc1cccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)c1 1891558527 ANQQMTWWUAIVHX-UHFFFAOYSA-N 443.920 1.694 30 10 IDEE C#CCNC(=O)CNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1963706749 QNEOKYKRGUJINB-UHFFFAOYSA-N 442.560 1.802 30 10 IDEE COCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 2053509509 XYFDFTCCQMRZQB-UHFFFAOYSA-N 434.543 1.250 30 10 IDEE CN(Cc1ccc(C#CCO)s1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2100772038 LKMUGMHNRXLQKP-UHFFFAOYSA-N 432.523 1.540 30 10 IDEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2241758477 UZZYXWXIOYJGNB-LJQANCHMSA-N 430.482 1.831 30 10 IDEE CCc1nc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2247836214 YLLKXHFMXVAKDF-UHFFFAOYSA-N 433.261 1.508 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2255710127 GYFFRJLYULBQKF-HUUCEWRRSA-N 436.314 1.943 30 10 IDEE Cc1c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832661 PKGWQZDXJXOJQF-UHFFFAOYSA-N 436.362 1.967 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255839133 QTKXVHGKBIEVTP-STQMWFEESA-N 435.334 1.100 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256928994 YOAOZKVVOZTADP-HNNXBMFYSA-N 427.266 1.176 30 10 IDEE Cn1nc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2267120948 RKDQYJNVTSFXFT-QKDCVEJESA-N 446.357 1.562 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 2267548466 SEVRMCMJAMESLA-UONOGXRCSA-N 449.361 1.538 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)n1 2267549061 JTWSTCUEUDZPGK-GOSISDBHSA-N 439.369 1.756 30 10 IDEE C[C@@H](C#CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)NC(=O)OC(C)(C)C 2302380179 JEYLENYHZPOCJM-ZNMIVQPWSA-N 439.509 1.872 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)[nH]1 2315399510 PHCUYMPESRLFDG-JOCHJYFZSA-N 433.358 1.895 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2322306467 JZISJVATHNNRSO-CZUORRHYSA-N 437.321 1.582 30 10 IDEE COc1cc(C=NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc(OC)c1OC(C)=O 254704341 OKUFPNWMLZFFFO-UHFFFAOYSA-N 438.418 1.631 30 10 IDEE C[C@H](C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1)n1cnc(C#N)n1 409460122 ZDLXWBHQWNEBFI-CQSZACIVSA-N 426.506 1.599 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)cc1C#N 427205322 PKFNPXJFJMMZCW-UHFFFAOYSA-N 439.497 1.876 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1 440329341 VOWDQEZDBMHUSR-LJQANCHMSA-N 438.459 1.944 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)c1 481019373 GUFSOCKZKKOBQS-LJQANCHMSA-N 433.461 1.939 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 483126170 UFJJJXGAHCIFJD-XLIONFOSSA-N 426.542 1.958 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccc(Br)cc2)n(C)c1=O 505655158 BQCIKUFHHZOTOL-UHFFFAOYSA-N 443.326 1.637 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 508883436 AAIKCNKVMGRKNC-LIRRHRJNSA-N 439.969 1.912 30 10 IDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(c3cnccc3C#N)CC2)CCCC1 514312294 KRZGNTRWVSUSHM-UHFFFAOYSA-N 435.532 1.695 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 521969384 PAWTTXHGMZRTAJ-FQEVSTJZSA-N 430.505 1.823 30 10 IDEE CCC(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 531222552 HJXQPGGBYKSVLR-GOSISDBHSA-N 426.546 1.995 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 555220854 VIGGSSAVMRZRRP-UHFFFAOYSA-N 426.525 1.606 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 558988230 CHCRZZKSPBFYCM-CQSZACIVSA-N 439.611 1.552 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CCC)C(=O)C1 564494861 HHHKEKZYCFBGID-UHFFFAOYSA-N 431.566 1.873 30 10 IDEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)c1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 585831869 ZDPCUCUPLMMFTP-JSNMRZPZSA-N 430.464 1.520 30 10 IDEE Cc1nc(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)sc1C(=O)OCC(C)C 586300803 AQMVBHQQMGBZTH-NDEPHWFRSA-N 428.536 1.324 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 590915109 WPCWNGIEOBPZPP-OAHLLOKOSA-N 447.507 1.642 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CC)c2ccccc2OCC(=O)N(C)C)CC1 604177172 XKZPJCHSIZNLPA-IBGZPJMESA-N 445.564 1.234 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)/C=C\c2cccc(Br)c2)CC1 728590174 VHILDYXBXIAVRC-SDQBBNPISA-N 426.336 1.117 30 10 IDEE N#C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CCN1C1CC1 732652004 MCJVLMOYWUMIJI-MRXNPFEDSA-N 426.336 1.563 30 10 IDEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc2c(c1)OCCCO2 741339825 BTUQRSBFGGESBS-IUXHBZJFSA-N 429.429 1.635 30 10 IDEE CCOc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 748064681 YUICJKYFNMSLAZ-UHFFFAOYSA-N 434.521 1.903 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N([C@@H]2CCOC2)C1=O 751685121 WYXYUOCBLNEZSL-RTBURBONSA-N 430.574 1.964 30 10 IDEE C#CCN(CC(=O)O)C(=O)C[C@@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21 757429435 WVXSURDWVXCLPM-MRXNPFEDSA-N 436.464 1.823 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC[C@H](C)CS(C)(=O)=O 757952586 MALILFSRYSLKIL-ZFWWWQNUSA-N 430.548 1.364 30 10 IDEE CN(CCCC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1=NS(=O)(=O)c2ccccc21 763705988 OUKBROITBJDJLL-UHFFFAOYSA-N 449.496 1.939 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 776511554 DFUWOJDETCWLTE-QDASYUEBSA-N 435.525 1.990 30 10 IDEE C#CCN(C(=O)COc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 783359819 ZLKSBBDRWSHGRT-CYBMUJFWSA-N 433.267 1.319 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC[C@H](OC)C(F)(F)F)C1=O 786690205 TZYZSQCFXXCCMG-STQMWFEESA-N 446.451 1.821 30 10 IDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 788076275 AIDTXKSPICJHKF-TWGQIWQCSA-N 429.502 1.297 30 10 IDEE CCNC(=O)N(C)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 794119623 YZITULZFDYNYKM-UHFFFAOYSA-N 429.502 1.920 30 10 IDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 798812357 DTUIBWMRQREGHT-LJQANCHMSA-N 427.482 1.818 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 808773147 OZDHEYLWPHBIFA-LJQANCHMSA-N 448.589 1.959 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CCN1CCOCC1 916201607 USFDZQYJVXJBIH-UHFFFAOYSA-N 435.336 1.575 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1084023658 XABYSCLSAFKULE-UHFFFAOYSA-N 428.434 1.783 30 10 IDEE COc1cc(C=NNc2nc(SCC(=O)Nc3nc[nH]n3)n[nH]2)cc(OC)c1OC 1084443043 FCBQKSXADMQEPI-UHFFFAOYSA-N 433.454 1.125 30 10 IDEE C[C@H](Sc1ncccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCC1 1116031003 CIJPSQUIYCRAES-STGLLQLASA-N 443.529 1.441 30 10 IDEE COCCCN(C(=O)c1cc(C#N)cc(N(C)C)c1)c1c(O)nc(=O)n(CC(C)C)c1N 1124158998 BPSNXCKDXSQEJA-UHFFFAOYSA-N 442.520 1.808 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 1140133231 XEONMAIXUNOSSK-HSZRJFAPSA-N 444.535 1.147 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)cnc1Br 1144429300 QVVTWRULEQFTBM-SDNWHVSQSA-N 444.083 1.863 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1165490678 ZMEORJPRRZWURH-HXUWFJFHSA-N 429.498 1.621 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1167536123 XGIKOGVKQGXJST-HUUCEWRRSA-N 440.949 1.738 30 10 IDEE Cc1ccc(C(=O)NCc2c(Br)cnn2C)cc1S(=O)(=O)NCC#N 1171226805 FIIZWXYGAAXSAV-UHFFFAOYSA-N 426.296 1.223 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)C1 1177759213 LZYDVRWPJPTKCO-INIZCTEOSA-N 444.557 1.798 30 10 IDEE C=CCn1cc2ccc(NC(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2n1 1178765803 PBOORKZNDJXSMJ-UHFFFAOYSA-N 448.526 1.543 30 10 IDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1181592909 BHXDOXMUUIATMM-USXIJHARSA-N 435.546 1.988 30 10 IDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)c(F)c2)c(OC)c1 1191346531 BOGUAVQDZJWZGK-UHFFFAOYSA-N 427.479 1.946 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)C1 1248682299 VZMNJJJTXJSHTD-IAGOWNOFSA-N 428.537 1.671 30 10 IDEE C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 1264322064 PHXBNJMRGQOORI-ZDUSSCGKSA-N 432.506 1.110 30 10 IDEE C#CCCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1286336498 YMPRKRZEGANZEZ-OFNKIYASSA-N 431.581 1.892 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286361110 LJRVWVXOZYYRLS-AWEZNQCLSA-N 440.570 1.357 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1286395309 ZNUCHSSTJHSWEQ-SFHVURJKSA-N 449.577 1.336 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1286431939 UBTKVFMCXHLYCB-OXJNMPFZSA-N 432.571 1.612 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286506641 KNOYAJYNKORDSI-IRXDYDNUSA-N 441.623 1.304 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286692781 IMVNIZPGRBOMGG-IXDOHACOSA-N 426.587 1.011 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1286758030 BCCWVDOOBBUXSQ-SQNIBIBYSA-N 439.582 1.462 30 10 IDEE Cc1nnsc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1289262835 GWJQGBFXYBTJOH-OAHLLOKOSA-N 438.517 1.639 30 10 IDEE CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)S(N)(=O)=O 1291722984 UKHTXTRYEGOTRG-HGSNWSKYSA-N 444.579 1.675 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)(F)F)CC1 1292889477 CEBBHNOWRFWNHE-UKRRQHHQSA-N 426.443 1.088 30 10 IDEE CCNC(=O)C1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)CCC1 1296266949 DDYAYWGNUHWLSW-NRFANRHFSA-N 428.516 1.888 30 10 IDEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@]1(O)CCS(=O)(=O)C1 1300441471 PJKRYROQQFFFMD-VBKZILBWSA-N 434.587 1.750 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1300457393 CQDPINPLUVKPIT-OPAMFIHVSA-N 430.553 1.940 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1300494972 AQPRTQPCEQTBRA-IAGOWNOFSA-N 447.561 1.706 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1300500678 CBMUUINHVDJGHM-LJQANCHMSA-N 433.578 1.116 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1300579738 WGVPMIGRIOVLLS-FQEVSTJZSA-N 434.544 1.681 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2COCCO2)CC1 1300685146 IAQPDSFPIBXZNC-MRXNPFEDSA-N 449.353 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2c(C)nn(C)c2C)CC1 1300727165 WTVDHBSVNFGUIZ-UHFFFAOYSA-N 446.559 1.628 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCN(CC)CC1 1300805363 ASBYPCMOOISEKQ-DENIHFKCSA-N 448.637 1.200 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300960864 PYJASVCCLRPSOC-SFHVURJKSA-N 426.525 1.482 30 10 IDEE COC(=O)Cc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1301465814 VXGDTIWTOSFCIE-UHFFFAOYSA-N 429.498 1.537 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301490542 VDOVFKRLEAYBLJ-UHFFFAOYSA-N 435.488 1.506 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cnn(C)c1 1301492872 QDQUUTFBAJLFKN-UHFFFAOYSA-N 425.493 1.634 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCc1ccccc1 1301499364 BQDROFOYIXMWKQ-SFHVURJKSA-N 431.562 1.551 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301507988 CGCDJFMZYZGEFM-UHFFFAOYSA-N 430.578 1.927 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301508972 XQKSPRKOMPLTBR-KRWDZBQOSA-N 444.605 1.922 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1301819273 UENICQQTKSMSTG-HXUWFJFHSA-N 425.537 1.500 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1302209431 ZKSJXRWHHFWYKP-QGZVFWFLSA-N 426.521 1.927 30 10 IDEE C[S@](=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 1302508143 HRSDXAWVXPBNBG-QZXCRCNTSA-N 425.580 1.221 30 10 IDEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1302543013 DSFRMGRDDRXCEN-MRXNPFEDSA-N 427.578 1.778 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304869777 ZBTFRLXBWIKSBC-PXBNPBHZSA-N 444.442 1.969 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1304908357 AAJHXNGTAOVBTN-PBNKOMEISA-N 442.545 1.307 30 10 IDEE CN(CC1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1314817955 ZPKCDMSTERBHRE-IDYLYPCZSA-N 444.536 1.909 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1315866950 RNWMUSDZCKFQQR-UHFFFAOYSA-N 430.534 1.539 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1316285709 SCDVOOKDHPFIDK-WKRCXCSHSA-N 434.516 1.703 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cncc(N3CCCC3=O)c2)c1 1356457928 NDDKRIFHOQHSJY-UHFFFAOYSA-N 432.480 1.695 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1358965319 SFSWBQLBNKZMDH-RTBURBONSA-N 447.630 1.899 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1358999415 QKLKGNMQNMCHAG-CZYKHXBRSA-N 443.592 1.964 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)Oc2ccccc2F)CC1 1359034894 FXLOCHVXDWTIJN-HKUYNNGSSA-N 440.523 1.981 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359125578 KNXZMAVFHFELHD-RDJZCZTQSA-N 427.571 1.438 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCSC2)C1 1359313683 PUWBDASQGSMVBT-OWCLPIDISA-N 429.612 1.813 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359336469 QUPBEDKQGKVNPI-QZTJIDSGSA-N 449.581 1.780 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346920 ZOPQHSISHBUUJO-OXQOHEQNSA-N 437.566 1.879 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)s1 1437438808 FFCOUXRHPJCTFM-UHFFFAOYSA-N 439.028 1.789 30 10 IDEE C#CC1(O)CCN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CCCC)CC1 1453842019 RIQRTEINRUHAOI-UHFFFAOYSA-N 443.548 1.818 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)c1 1455210433 QKNNHXIXNSIMGK-UHFFFAOYSA-N 440.518 1.498 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 1460600015 AOHRSOYSSQDSFI-JOCHJYFZSA-N 441.557 1.335 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)CC1 1469746842 SNEIOAGCHKRVIW-QGZVFWFLSA-N 430.933 1.971 30 10 IDEE C#Cc1cncc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)c1 1471436046 XXMREKARRGXBJD-KSZLIROESA-N 426.473 1.718 30 10 IDEE COCCOc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1Br 1472208127 IGLHAQNEPKCEEP-UHFFFAOYSA-N 437.250 1.637 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCOc2ncccc2F)cs1 1492681555 AHRQTLBKAKFEEN-HNNXBMFYSA-N 429.481 1.976 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1503258767 DVEWFKCEBAKYIC-IYBDPMFKSA-N 433.534 1.777 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504023502 NFYCGMKFGLONDF-ZBMSZTRUSA-N 425.493 1.805 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1504887707 DEPRXGMENTWSMS-HOTGVXAUSA-N 440.570 1.024 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC 1507520519 OXZOZCUCEWOSNO-LLVKDONJSA-N 429.344 1.053 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1507572255 DKCNDMLJEJSRMJ-UHFFFAOYSA-N 425.537 1.950 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507631640 RKNWSKWPWYAEHQ-QGZVFWFLSA-N 428.518 1.321 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507632982 RBOCVCBGOAJQID-HKUYNNGSSA-N 432.521 1.986 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1507641408 DVPXUFVSNMDVRP-GOSISDBHSA-N 427.427 1.070 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(OC)CCOC1 1507670156 YOBNKBRSPGVHAK-DEOSSOPVSA-N 449.559 1.721 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507833128 XKXBOWBITMPEOS-QGZVFWFLSA-N 429.550 1.611 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C 1507844970 UHPHKRLKHRCODH-ULQDDVLXSA-N 427.571 1.438 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1508415538 DBKOQOBKQTXHIW-QGZVFWFLSA-N 448.535 1.919 30 10 IDEE CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1CCN/C(O)=C1/N=CC=CC1=O 1512803263 VMQHXDNFADRNOC-DPHDRGAJSA-N 426.525 1.996 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)cc1 1516330852 HJBGTUHHZLDQKZ-PBUBXTSYSA-N 446.451 1.753 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN(C(C)=O)C1 1516540303 VMWOXRXVXYANCJ-MRXNPFEDSA-N 439.520 1.608 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1517445943 APGZRVMTJZKQBN-QVKFZJNVSA-N 430.509 1.650 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CC[C@@H](C(F)F)N2CCOCC2)cc1 1521094795 HBJZVSZGDYVHMQ-KRWDZBQOSA-N 445.474 1.109 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CCO1 1521128326 BCIBJLLUBIWXTD-WMZOPIPTSA-N 431.518 1.378 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1539013194 IDLOSOINLBPRNI-SCTDSRPQSA-N 447.561 1.536 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1539239570 MXDLNRAOEKZIEW-CQSZACIVSA-N 437.928 1.996 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1539370842 HFDQMQAHGLHGLM-AOMKIAJQSA-N 446.552 1.524 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1539377192 MOVWJRWQUINOHA-UHFFFAOYSA-N 426.912 1.799 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CCn2cncn2)CC1 1539489250 SRSNCIGEKJPKMD-UHFFFAOYSA-N 448.531 1.157 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1539506269 IZNYLBNNXTVMBQ-GOSISDBHSA-N 445.545 1.280 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1540873095 MNQVWPJLNKVGHW-IBGZPJMESA-N 435.575 1.248 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1541115673 CXGVCASCSBWKEK-POEINMCQSA-N 449.602 1.703 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1541233274 HKBVLDIGNMHPMK-KJEZJMDVSA-N 431.522 1.201 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(C)(C)c2ccc(C#N)cc2)c1 1542973061 AFSMIJJDKSAQFY-CQSZACIVSA-N 428.514 1.887 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)nc1 1546314001 VRLNMTFBNIEILX-UHFFFAOYSA-N 434.431 1.539 30 10 IDEE CNC(=O)NC[C@H]1CCCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1557951714 GPHQHAYJIXOZRY-MRXNPFEDSA-N 449.577 1.596 30 10 IDEE CC(C)(C)OC(=O)NOCCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564689007 BXHGZWNQEMIZHI-QGZVFWFLSA-N 431.493 1.805 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1588223782 GMOROUXLPGRKDM-CQSZACIVSA-N 431.422 1.744 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1595544443 IFIKBGWTTHHXTR-LJQANCHMSA-N 444.580 1.846 30 10 IDEE C=CCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)OC 1596243339 GGVHSJUHSJBDQT-VWHUOQICSA-N 427.501 1.804 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cc1 1598142997 XGSLPVFKSIXKOJ-KRWDZBQOSA-N 435.546 1.973 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)CC(=O)N1C 1612979751 FKWLBQHKEQSGDJ-INIZCTEOSA-N 444.561 1.511 30 10 IDEE CCc1nnc(N2CCSC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1614052660 GGQVDJJKWHPQCS-ISLYRVAYSA-N 432.550 1.469 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nccc3c(Br)cccc23)CC1 1615209156 NKGSGZWYZAHWQW-UHFFFAOYSA-N 429.318 1.895 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1620346812 IJAYHENVWRWGAV-BTYIYWSLSA-N 438.442 1.660 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@@](C)(Cn2cccn2)C(N)=O)n(-c2ccc(F)cc2)c1C 1620657237 MDPICXIEYLBESQ-QFIPXVFZSA-N 437.479 1.774 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1626877020 NARRXWFFRYBAEE-INIZCTEOSA-N 428.961 1.789 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)n[nH]2)c1C 1628940728 OUPJEKUURDJWDH-UHFFFAOYSA-N 439.564 1.846 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3CCC[C@H]3C(N)=O)C2)C1 1629698973 GGJRVLHJIPVWFS-IZCOPSDLSA-N 433.553 1.229 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3c(C)noc3C)CC2)s1 1630024327 WVCLWEUBFHJBCC-UHFFFAOYSA-N 438.575 1.704 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1630719718 JLASZOJZADUWHO-CYBMUJFWSA-N 442.563 1.510 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC[C@@H](O)C(F)(F)C(F)(F)F 1633146486 YNUIRSKJJINQKM-SNVBAGLBSA-N 426.310 1.308 30 10 IDEE N#Cc1cn(CCNC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c(=O)nc1O 1633550610 UWYKCVMXSHCKQO-GFCCVEGCSA-N 436.255 1.297 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3n2CCN(C(=O)OC(C)(C)C)[C@@H]3C)CC1 1634876692 ZOKVMHUUBRAVQW-QGZVFWFLSA-N 443.548 1.307 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c1C#N 1636900426 GZGDUYMUNATUFI-UHFFFAOYSA-N 433.490 1.722 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)c1cc[nH]n1 1638653637 XGJNDDQNHYEHRV-OAHLLOKOSA-N 429.477 1.345 30 10 IDEE CC(C)N1C(=O)c2ccc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc2S1(=O)=O 1640916832 VYUMWIWHKKADKI-GOSISDBHSA-N 427.482 1.917 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Cn2ccnn2)C1 1641241864 PUXYAWLRJREEEV-INIZCTEOSA-N 430.534 1.426 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2ncc(I)cn2)CC1 1642267271 TVTXQRPBNKFAAF-AWEZNQCLSA-N 443.289 1.201 30 10 IDEE C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1648066059 GDVGKBZXSRMXFF-QZZNQRLBSA-N 436.306 1.775 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790666 PZNIKBDXLXLCBQ-HNNXBMFYSA-N 433.509 1.779 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1649195229 HCJBAQSVFHARRI-UHFFFAOYSA-N 439.497 1.980 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 1651023948 INXWRLHRCYNVDJ-UHFFFAOYSA-N 426.542 1.280 30 10 IDEE N#C[C@@]12CN(C(=O)NC[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)C[C@H]1CS(=O)(=O)C2 1681560180 KKUUSSMZZPGTLS-YRLHULLVSA-N 435.521 1.479 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOc3c2ccc(Cl)c3Cl)CC1 1686385608 PFGIHRPWQGZWEU-CQSZACIVSA-N 447.344 1.612 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCc3ccc(CC#N)cc3)CC2=O)C1 1686890006 SKWNVQUQGAXABS-QGZVFWFLSA-N 427.505 1.772 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1689965800 DCMJPAHCSMGVOU-OAHLLOKOSA-N 425.555 1.507 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689985975 GKIITWDEEIAPCL-QGZVFWFLSA-N 442.520 1.687 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689986344 NPXGMLWPIAYLLB-IBGZPJMESA-N 444.605 1.786 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCOCC1 1690062154 FFTZOQJHILKVEV-UHFFFAOYSA-N 430.505 1.972 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690184582 LBPSHNKFXRMCPR-MRXNPFEDSA-N 444.536 1.919 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1690250344 GEXFPZLZVCGXBI-MAUKXSAKSA-N 437.591 1.850 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690299047 CGVUDTKPSVTLLD-UHFFFAOYSA-N 434.585 1.654 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1690681516 RYVXHRJZUDSRJG-INIZCTEOSA-N 426.521 1.696 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705479929 QGBAFTMXZNSQOR-SVMVAKDDSA-N 433.553 1.272 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1705495519 RDRVITMQYIACTB-TXPKVOOTSA-N 447.561 1.171 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1705667548 VUPZZNQIZKYHBE-QVKFZJNVSA-N 444.561 1.887 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)N1CCOCC1 1705733624 RVJSIZGFYLROHW-UHFFFAOYSA-N 443.504 1.562 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706108056 OBSWZWXQWJOYNJ-AMGRQBIBSA-N 441.536 1.303 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCOCCS(C)(=O)=O)C1 1706935615 VKNBSAGGROYIJF-APWZRJJASA-N 425.555 1.363 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1710171245 ZHPAAPVKDCUYCM-UHFFFAOYSA-N 445.545 1.946 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1712183412 OTLFGOOHPSNFHY-KKSFZXQISA-N 428.468 1.430 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1712531057 QFEARUXCKONWMB-DBXWQHBBSA-N 438.548 1.801 30 10 IDEE COCCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1712589719 XNXWEMPPJVXICB-WBVHZDCISA-N 449.533 1.325 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)cc1 1712879453 AUIJYZVIRFKYCK-HNNXBMFYSA-N 433.438 1.637 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1722324335 PNCSARNAXFSZIM-ZWKOTPCHSA-N 449.581 1.020 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CCCCC1 1722350493 BIYOPKOELOVCAB-FXAWDEMLSA-N 439.582 1.012 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722361121 LDRXDNXOPPTJKC-KBPBESRZSA-N 425.461 1.324 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722371575 KJZIAPQPIHBQGD-LJQANCHMSA-N 445.589 1.918 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCS2)CC1 1722446076 LZNBRNUDOOBAIJ-KRWDZBQOSA-N 425.562 1.987 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1722516962 FVGRSBRVZRDMOW-LJQANCHMSA-N 445.589 1.942 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722553536 CVILPCULSRHPEA-UHFFFAOYSA-N 449.003 1.883 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722609739 ZTHZNDNMSRPXMD-DNVCBOLYSA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1722688764 LFFBXHMVSOWHNO-CVEARBPZSA-N 444.511 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722695946 WBSLMFZBRKYDBP-OAHLLOKOSA-N 429.912 1.497 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722700627 OFNAZDPMSLWGFB-MOPGFXCFSA-N 429.496 1.694 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722701400 OTDGCYMQFYITSM-IBGZPJMESA-N 435.532 1.378 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1723777394 DFICQVCRCLAPSJ-KRWDZBQOSA-N 444.561 1.754 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726985893 AFXOSVJSSPXYMQ-MXLIYFDZSA-N 443.552 1.623 30 10 IDEE CNC(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1729722652 WLOYIQWZZBYRLG-GJZGRUSLSA-N 435.529 1.318 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1730483215 XHCHYPSRALYBBQ-INIZCTEOSA-N 436.513 1.319 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCNS(C)(=O)=O 1740537368 UDMJHMSAMYEDKI-CYBMUJFWSA-N 427.477 1.944 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740593911 UVCKARGKNGPPDO-IBGZPJMESA-N 441.605 1.790 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740624384 GBJFCDLLOMZPIK-ZWKOTPCHSA-N 431.587 1.786 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1740634060 DCRBKRCOPXREGB-UHFFFAOYSA-N 449.536 1.506 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1740648201 DLCJIKLPMSEOOK-MRXNPFEDSA-N 447.536 1.742 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1740747346 GDJSYADBUNBDFM-UHFFFAOYSA-N 439.358 1.662 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 1740964651 SNKZJYLMUFZXHO-QGZVFWFLSA-N 435.912 1.664 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740989466 NRUZLIQNAITENP-NRFANRHFSA-N 447.561 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1740990308 QBHOEKIGJRDCHO-KRWDZBQOSA-N 445.593 1.647 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1740995982 CRIAEKSKZFLWRF-OAHLLOKOSA-N 429.612 1.814 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1741000756 GFBGAOMAJJUZDX-HNNXBMFYSA-N 432.529 1.404 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCN(CC)CC1 1744050142 BEMPOOKQQHRCJW-JOCHJYFZSA-N 448.591 1.666 30 10 IDEE CCOCc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1747096250 VKSQYYPJORSUKF-HXUWFJFHSA-N 427.465 1.142 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1747357483 OJSRAYXNYZEBEU-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE CO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1748402748 JCOPTDSJYKULAQ-QJPTWQEYSA-N 426.465 1.452 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1748809633 PDUWVMPYXFHHOU-INIZCTEOSA-N 432.502 1.337 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748812815 ZYUBJQIENIXBPZ-OXJNMPFZSA-N 430.534 1.177 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1748863777 GZQHCCDNSJNOSH-GOSISDBHSA-N 434.610 1.616 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2COC)CC1 1748989463 MDJNJVWZKSQYRT-FQEVSTJZSA-N 443.573 1.130 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCN(CC)CC2)CC1 1748990210 WAGNZVCQNCMSFT-FQEVSTJZSA-N 448.637 1.057 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749020102 LLFBCJHWACXRJR-UHFFFAOYSA-N 439.589 1.904 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCOCC1 1749118316 FJJDEDSZNHVOGM-NJAFHUGGSA-N 441.598 1.732 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749143932 OVTRIRNQNWDMSD-WOJBJXKFSA-N 442.582 1.271 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749241310 IZGPRURLJGZUEB-CEWLAPEOSA-N 446.596 1.711 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 1749427118 LPCYABGNWDGESO-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749447497 FXGHJBHTNOIYLB-HDICACEKSA-N 434.518 1.503 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(C)(C)C)C1 1749666068 GACWXEPBGHKARV-INIZCTEOSA-N 430.509 1.559 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749676002 ANDBDVFEOGTESP-VBKZILBWSA-N 432.550 1.320 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1750056948 MWAACVWTFQZBMU-HKUYNNGSSA-N 445.545 1.493 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1750200648 UKGUXPLHWTVFNZ-UHFFFAOYSA-N 426.502 1.790 30 10 IDEE C[C@H](O)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1751245587 CPDVGUOEGUXZRG-CKFHNAJUSA-N 436.513 1.432 30 10 IDEE Cc1cccc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1751415519 YDWWTLHRRJKYNQ-WXVFVKJXSA-N 449.515 1.700 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccn(C)n1 1760200977 YTLMKNVVWLXJEO-UHFFFAOYSA-N 436.545 1.287 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCC(=O)NC2CC2)CC1 1760264219 FXUBJFAIJCGPGW-UHFFFAOYSA-N 436.560 1.980 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760280119 CUKCGQRQOIZRQR-CEXWTWQISA-N 449.621 1.906 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760327602 JLEOYNRWHGRTIK-QWFCFKBJSA-N 432.569 1.321 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760560135 YSTLXETVWUJKLI-XSLAGTTESA-N 442.582 1.464 30 10 IDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(N)=O)C1 1760563841 GCASABQVQWYTLP-CQSZACIVSA-N 449.606 1.469 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H](C)C#N)CC1 1760624521 PNNSJIFLDPRVOM-HNNXBMFYSA-N 430.582 1.394 30 10 IDEE CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762444954 VHVKCRZCNMNERV-IBBQJSRESA-N 441.536 1.667 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1765578203 CQPCVBPKFDHSMN-LSDHHAIUSA-N 434.504 1.549 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@@H]2CO)C1 1771529243 JXJMEGOLJMLHLV-KNQAVFIVSA-N 427.528 1.943 30 10 IDEE O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)ON1C(=O)c2ccccc2C1=O 1772789970 ICPVVEQHVWGVOH-UHFFFAOYSA-N 431.422 1.766 30 10 IDEE Cc1c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nnn1-c1ccccc1F 1851793499 NSUDVOBKZAEODW-UHFFFAOYSA-N 435.463 1.961 30 10 IDEE CN(C)C=NC(=S)N(C(=O)C1CN(S(=O)(=O)C2CC2)C1)c1ccccc1Cl 1852103663 RWIWOEMOLBYCRS-UHFFFAOYSA-N 428.967 1.972 30 10 IDEE CN(C)C=NC(=S)N(C(=O)CCCN1CCS(=O)(=O)CC1)c1ccc(F)cc1 1852109220 WFTRRTCHDQSQEW-UHFFFAOYSA-N 428.555 1.544 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)Cc3ccc(C#N)cc3)CC2)cc1 1852537826 YUZJERPOXNMNMO-UHFFFAOYSA-N 427.526 1.959 30 10 IDEE C=CCNCc1c(Cl)n[nH]c1C(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 1853560504 XGSGCQCLDZZVOK-UHFFFAOYSA-N 427.896 1.921 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1855745646 NTKTWHMXYQFOQZ-QGZVFWFLSA-N 432.546 1.695 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3F)C2)CC1=O 1856124205 VBSMRHKRVXMDKK-HNNXBMFYSA-N 427.473 1.365 30 10 IDEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N2CCNCC2)sc2c1CCC2 1858814241 UQMFJULOQZPWLS-UHFFFAOYSA-N 426.502 1.958 30 10 IDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1862568440 PBWDFXDBCALLIV-GOSISDBHSA-N 441.396 1.519 30 10 IDEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870111026 UCIFYIBPBJVQBT-UHFFFAOYSA-N 445.395 1.649 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 1889472732 STDCLQYCAZWAOB-UHFFFAOYSA-N 447.601 1.352 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 1891487314 CYDXTEUWRRMFBU-UHFFFAOYSA-N 430.468 1.890 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988627850 SRBSCYARNYDUKK-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060635974 RUDUOUQWADGJMC-OCCSQVGLSA-N 436.318 1.643 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)nn1 2255602594 UWFMUTZIBAOLDZ-UHFFFAOYSA-N 431.302 1.321 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255703087 OOGGXDKZXXZSET-ZIAGYGMSSA-N 436.314 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2255834893 QZCIIJXKUQGQJT-UHFFFAOYSA-N 432.330 1.934 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267128214 WPDYLGSRFNUFCE-CVEARBPZSA-N 446.357 1.943 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 2267264289 PRUBSNFJJALZLU-NRFANRHFSA-N 449.361 1.538 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)CC(=O)O 2269068947 SBYWKYYABFQCMJ-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2315530838 MIBUBJGSEZCTSR-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2319802423 FLBVUFGJNIMAJK-UHFFFAOYSA-N 435.330 1.939 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2327380215 NFGWUNGFNXFMNB-UHFFFAOYSA-N 432.290 1.131 30 10 IDEE CCOc1cc(C(=O)N[C@@H]2CCN[C@H](C(=O)C=CC(=O)O)C2)cc(OCC)c1OCC 2328147348 LQOCIIVMWITOOL-CVEARBPZSA-N 434.489 1.943 30 10 IDEE C=CCOc1ccccc1[C@@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@@H]1C#N 72443921 RVEXDKFKTMGCEQ-WBVHZDCISA-N 448.483 1.260 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 116401667 ZTYSKWVTVRIWPN-QFIPXVFZSA-N 441.576 1.682 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(=NC(=O)N=c2ccn(CCN3CCOCC3)[nH]2)[nH]1 470426923 FZRDQCVDNVLFRK-UHFFFAOYSA-N 440.895 1.414 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2C)nn1 473004509 YIVJGSPEGSNQCN-UHFFFAOYSA-N 435.492 1.245 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H](O)Cc2ccccc2Cl)CC1 475307594 DTIJLTRHJCBAIV-GOSISDBHSA-N 433.917 1.648 30 10 IDEE N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 477016762 ATRNREGHUDUFJX-UHFFFAOYSA-N 435.502 1.538 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 482833781 GTGVVTGTPMLZNF-HIFRSBDPSA-N 434.468 1.898 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCC[C@H]3CN3CCOCC3)C2=O)cc1 505517077 VOSHNQVKMSMHGC-PMACEKPBSA-N 439.516 1.477 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 505945857 AFXAJVQMFFCVRN-IVZQSRNASA-N 431.489 1.689 30 10 IDEE COc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OCCCC#N 506577744 JGFKPQUIVOAODT-UHFFFAOYSA-N 438.550 1.072 30 10 IDEE C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508796302 VSXKRZCCTJTJQI-QGZVFWFLSA-N 428.518 1.351 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC=C)CC1 508842507 YDNPBTHCWKLZPL-UHFFFAOYSA-N 434.504 1.204 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)n1 513189887 NHHVKAYUKKQHAB-UHFFFAOYSA-N 434.435 1.350 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(C)n2Cc2ccccc2)CC1 516697667 AGUMQDKLFSXEQE-UHFFFAOYSA-N 428.562 1.173 30 10 IDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 517674508 ULLNAADEOMQNHX-FQEVSTJZSA-N 446.573 1.818 30 10 IDEE C[C@@H](C(=O)N(C)CCC#N)N1CCCC2(CCCN([C@@H](C)C(=O)N(C)CCC#N)C2)C1 574323519 XQSWWYBLDAUHCQ-ZXTYOHMPSA-N 430.597 1.686 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1ccc(C#CCO)s1 703974648 PZDPRIYYCBKTDH-UHFFFAOYSA-N 446.550 1.834 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727814299 FQMOWBYHCVVLAG-UHFFFAOYSA-N 443.550 1.463 30 10 IDEE CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732468174 FKOFZICATULVLY-OQLSDQBISA-N 426.521 1.604 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732669205 ILMNKLVHPNTEOJ-MRXNPFEDSA-N 426.564 1.078 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CCC)c2=O)cn1 735068912 JFLVKYXOJVTTFA-UHFFFAOYSA-N 431.587 1.005 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)c1n[nH]c2ccc(I)cc12 745475907 RDTTVYYYZXLROW-UHFFFAOYSA-N 428.186 1.336 30 10 IDEE C#CCN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 757905074 PYIAGCOVSMOIRK-KBPBESRZSA-N 429.325 1.995 30 10 IDEE C=C(C)CN1CCC(NC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CC1 771470740 XKGUMTZQFMVUJZ-HSZRJFAPSA-N 428.533 1.927 30 10 IDEE CS(=O)(=O)N1CCN(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)CC1 778619794 XESZBKQDKMRAPS-LBPRGKRZSA-N 440.497 1.842 30 10 IDEE COc1ccc(CNC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1C#N 797468949 SHIAOXKPWAXYKT-OAQYLSRUSA-N 429.498 1.638 30 10 IDEE COCCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 802423222 CETPFXZPXJVJBF-UHFFFAOYSA-N 446.577 1.896 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c1 804960617 ZRADFJPTPUBAJU-UHFFFAOYSA-N 446.428 1.878 30 10 IDEE C[C@H](OCC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccn1C 805857201 PTRWWAJSPFXHBS-YJBOKZPZSA-N 440.460 1.464 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C(=O)C3CC3)C2)cc1 806219533 JQVSLEHRZRGECI-VPMFXMNOSA-N 434.518 1.711 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 809929662 YEZKSNTYWUFNLI-HUUCEWRRSA-N 443.570 1.642 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C 814250733 YFYSASQQEJAXPO-UHFFFAOYSA-N 430.436 1.303 30 10 IDEE CC(C)CN(C(=O)COC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 815476693 HLPBSCMBHAKRBZ-AWEZNQCLSA-N 447.435 1.801 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1 821619814 NRIYRWFMURDJCQ-UHFFFAOYSA-N 428.438 1.743 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1=O 916177951 FMMCVMIDHBSYBW-FQEVSTJZSA-N 444.444 1.111 30 10 IDEE N#Cc1c(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)nc2n1CCOC2 1135005789 IKNAEQYFYDLKLU-UHFFFAOYSA-N 430.218 1.282 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)C2)c1 1149469192 RWOOPFFTDJIDTN-UHFFFAOYSA-N 441.332 1.966 30 10 IDEE N#Cc1cn(CC(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c(=O)nc1O 1153592508 GYVFMQSCYUBOHH-UHFFFAOYSA-N 431.758 1.473 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(Cc2cc(C#N)ccn2)CC1 1167921835 WXOYYEZYHVEGTK-UHFFFAOYSA-N 434.543 1.172 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1179650314 DZAXXNYEACJKME-PJSUUKDQSA-N 449.533 1.144 30 10 IDEE COC(=O)[C@H]1CS(=O)(=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1198421310 GRWSCXUBDCKBOT-SWLSCSKDSA-N 439.559 1.345 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nc3ccc(C(=O)OC)cc3[nH]2)c1 1213345718 LIBLYIDPYUQGGB-UHFFFAOYSA-N 428.470 1.744 30 10 IDEE C#CCN(C(=O)NCCc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 1233636253 OQAAUNYLGRPRCA-HNNXBMFYSA-N 446.310 1.666 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCO2 1248651947 VPOUPLNXPOJQNP-KEDZRVRNSA-N 436.509 1.545 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)nn1 1264500438 FCVZKYOYZAKVOP-UHFFFAOYSA-N 426.502 1.467 30 10 IDEE C=C(C)CCNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1273378293 OZBVXIXNBVSFPR-UHFFFAOYSA-N 425.489 1.137 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1286376625 MVYXOQGFTFTGTI-HKUYNNGSSA-N 429.546 1.410 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286387597 SRBWIIFBKVNZBL-MSOLQXFVSA-N 441.557 1.487 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1286439369 PZJTUZIMSSGGFI-QFIPXVFZSA-N 440.573 1.862 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)COC)CC1 1286480454 XHLPSIPFRQVYCB-GOSISDBHSA-N 449.559 1.713 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)C(C)C)CC1 1286495325 YOTYVKWCEMDQMA-LJQANCHMSA-N 444.580 1.648 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1286516202 DJPYLABFNCIPCD-SCLBCKFNSA-N 433.563 1.638 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286523976 BXFKOIBCTXCIJQ-GHTZIAJQSA-N 428.562 1.538 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)CC1 1286546983 MATUSAQVXXTUMX-CRAIPNDOSA-N 425.493 1.233 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286690317 PAXCGNHYRUNFTD-UHFFFAOYSA-N 431.585 1.517 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1286706006 IWUVACUDGDWEKY-UHFFFAOYSA-N 441.536 1.965 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286783497 SVMJNNARSSBVRE-UHFFFAOYSA-N 438.536 1.595 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccn2)CC1 1286820006 BOKUDGQGHBVLLI-QGZVFWFLSA-N 447.565 1.237 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)CCOC1 1288304252 CPUANJBRTCYQOS-HKUYNNGSSA-N 441.529 1.338 30 10 IDEE CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290636676 RXQORFLFTODYMJ-FQEVSTJZSA-N 437.518 1.138 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 1294723907 WANUQLKHGHRMEW-UHFFFAOYSA-N 438.509 1.636 30 10 IDEE CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1299242265 HHZPLHYARCPBKV-UHFFFAOYSA-N 430.516 1.670 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300365206 REJBMODBZLNFFK-WOJBJXKFSA-N 448.637 1.200 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1300478935 HCDUYCFCKHQSAC-BZUAXINKSA-N 425.530 1.181 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1300504514 ODSZADYNRWNEHT-GBESFXJTSA-N 430.578 1.983 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300629910 ISHHHRPKZAPRLO-UHFFFAOYSA-N 435.532 1.978 30 10 IDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300974495 JJEUTARXTLOROH-IEBWSBKVSA-N 430.505 1.907 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1300991592 VMACHUHPVCIJKW-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cc(=O)c4ccccc4[nH]3)C2=O)cc1 1302806087 LNBRNHWCGUXWLQ-IBGZPJMESA-N 429.436 1.921 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1303003195 DEQGNTPNBCADQH-NXEZZACHSA-N 427.412 1.482 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H]1N1CCOCC1 1305147706 DXBAJAUGNCHPTK-LPHOPBHVSA-N 444.561 1.018 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)c1 1306648229 JDPHRFYNURKSGL-OALUTQOASA-N 425.510 1.878 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1OC)C(=O)OC 1309442324 CYOUCMICSYGRGX-NSHDSACASA-N 426.260 1.619 30 10 IDEE CCO[C@]1(c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1314086240 ZGDTVUZATFGRRS-IFXJQAMLSA-N 435.506 1.066 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1314224547 DWBLGGHZZMOCFQ-QGZVFWFLSA-N 440.504 1.511 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1315046891 NVIAERHTPCIMCN-OALUTQOASA-N 435.532 1.696 30 10 IDEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1315409443 AMJRZRRKDDQDRJ-NHCUHLMSSA-N 445.545 1.633 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(CC#N)cc3)cc2)CC1 1319445050 PPBXCGXKWDDKKE-UHFFFAOYSA-N 434.543 1.490 30 10 IDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CCCOC1 1348487315 IDVLXIJSEHAEPX-OAHLLOKOSA-N 448.364 1.664 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1358919677 HRQIGEOBOAJTPX-QGZVFWFLSA-N 441.561 1.500 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC(C)C)C(=O)C1 1358926861 FKTOMATXBFARFK-UHFFFAOYSA-N 447.543 1.910 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1359027723 UINAJAQNFSEESP-LJQANCHMSA-N 439.564 1.897 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1359229128 ZDVXULNASNWKGB-UHFFFAOYSA-N 440.552 1.418 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@@]1(OC(C)C)CCOC1 1359306108 WALMDZXWWJIXBX-IIBYNOLFSA-N 444.540 1.091 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1359319177 UJTHBGLGCIHNCA-FUHWJXTLSA-N 432.550 1.403 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)[C@H](C)C1=O 1360018228 NTIJLNHBFVSZMP-OSPHWJPCSA-N 449.559 1.988 30 10 IDEE Cc1cn(C2CCOCC2)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1441014808 XBPVYZMGVKWJRS-UHFFFAOYSA-N 443.529 1.561 30 10 IDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(S(N)(=O)=O)cc1 1464601881 BGBFPGAHTNYVKX-UHFFFAOYSA-N 430.530 1.565 30 10 IDEE Cc1ccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1S(=O)(=O)NCC#N 1469972398 RKMJDEURPOTTQP-HXUWFJFHSA-N 442.541 1.294 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 1474858333 FJAQZWQALWBWRK-LBPRGKRZSA-N 445.360 1.752 30 10 IDEE CC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1494828563 JRBFQBBTOAVNLD-OAQYLSRUSA-N 425.493 1.096 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(=O)NC 1498526599 CPCKWNNBTZOSTL-UHFFFAOYSA-N 436.520 1.742 30 10 IDEE CN(C)C(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1503365726 MAKZKDOTEZFPPC-ZDUSSCGKSA-N 436.314 1.253 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N2CCOCC2)C1 1505315258 PASILDWTAAMFNI-LJQANCHMSA-N 433.875 1.684 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)CC1 1507731313 FOQQDTUWLNTRDS-OALUTQOASA-N 435.594 1.285 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1507749761 ZLRYILMPNAYCCT-QGZVFWFLSA-N 449.602 1.787 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1507760653 CNQSKRJYDXUGPC-CDNPAEQRSA-N 445.564 1.417 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508956943 AENWWPGNEJXOBQ-RWNPKEDZSA-N 427.553 1.993 30 10 IDEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1519057124 XIRXXEYBOUICNN-GOSISDBHSA-N 442.520 1.413 30 10 IDEE C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C(=O)N1c1cnn(C)c1 1531488310 ADUMDSGLGRZXOT-DFHBCGBQSA-N 440.891 1.608 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(I)ccc3F)C[C@H]1CS(=O)(=O)C2 1536180761 WLZHZMFRMAXRIR-XPTSAGLGSA-N 434.230 1.441 30 10 IDEE Cc1ccc(I)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538539881 ODMBLJXNHNVGFI-NHYWBVRUSA-N 430.267 1.610 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1538970142 ADNJWXQXLITWGB-VXGBXAGGSA-N 425.584 1.544 30 10 IDEE N#C[C@]12CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@H]1CS(=O)(=O)C2 1539118828 RPLILAKSMFAKDT-YVEFUNNKSA-N 435.303 1.645 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1 1539646057 UJLFAMCZGXADIY-ORZNMBHWSA-N 433.553 1.650 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1540875621 RSWFADNGXXZACB-OAHLLOKOSA-N 444.561 1.548 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1558328728 FPHBSFKSJXHLHW-FQEVSTJZSA-N 431.558 1.504 30 10 IDEE Nc1c[nH]nc1[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1558788220 YBIRWZWSVIUBFW-AWEZNQCLSA-N 430.534 1.607 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(=O)n1CCO 1559456786 PCXKBSLBUWCICR-UHFFFAOYSA-N 442.491 1.683 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)CC1 1565590252 TYHFDORNWZRNDY-UHFFFAOYSA-N 427.545 1.799 30 10 IDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1567508708 WPIAOTHHJSVRTG-SFHVURJKSA-N 430.461 1.579 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1570154365 ILGWIJOFVXGCJF-INIZCTEOSA-N 439.534 1.517 30 10 IDEE COc1ccc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1570563680 WEMUTRKIUXQDPJ-KRWDZBQOSA-N 428.514 1.488 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587921860 LGIMBLRWMWYSHG-JPYJTQIMSA-N 440.548 1.668 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1588006341 JCFGTTMSSOVLTH-NRFANRHFSA-N 436.560 1.761 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1588646905 PAJCIPNEARQFCW-QFBILLFUSA-N 446.529 1.311 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNS(=O)(=O)CC)CC1 1588769620 VGMJAZICKRVZFX-UHFFFAOYSA-N 442.545 1.386 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 1588806078 FUVHCISACGSFIM-APWZRJJASA-N 426.496 1.591 30 10 IDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1589366636 HTAPDPQBHZVSAQ-UHFFFAOYSA-N 428.294 1.905 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1589663416 NDIPZEPWJFOZSA-KRWDZBQOSA-N 438.554 1.667 30 10 IDEE C=CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1594661568 VIVCKOXNKPBOIV-FQEVSTJZSA-N 441.598 1.757 30 10 IDEE CN(C)C(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1595766364 AEZXGPDVGRVCRR-INIZCTEOSA-N 431.924 1.187 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCOCCCO)C1 1611768690 ARNDULGFCLTKDQ-FQEVSTJZSA-N 432.550 1.799 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H]1N1CCOCC1 1612917347 LGZOAJMNFZQMAI-LPHOPBHVSA-N 444.561 1.018 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(C(N)=O)CCOCC2)CCOC1 1616222508 BQAKSGXORYFDSL-UNMCSNQZSA-N 446.552 1.342 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1618343557 DWYIHAQVOZXAMK-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE CNC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1618791875 MPJQFLRTBMMAQW-UHFFFAOYSA-N 433.472 1.625 30 10 IDEE COC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1619598961 CDGIUIUFHDPEME-JKSUJKDBSA-N 437.508 1.311 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1620166730 HAYCDVVHBZLIHQ-GOSISDBHSA-N 430.534 1.372 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1624628063 FHWNODLJFZWWNG-GJZGRUSLSA-N 431.555 1.046 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2coc(CS(C)(=O)=O)n2)cc1 1626004203 NEIVOGGELFSEBZ-HMMYKYKNSA-N 440.503 1.284 30 10 IDEE CC(C)N1CCN(CCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 1629820013 DZZGOTHGZXMSKP-UHFFFAOYSA-N 441.555 1.930 30 10 IDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1631812024 GUPGWENJYSWWPA-HXUWFJFHSA-N 437.518 1.043 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1637512931 KFRGIGBSGRHZMX-ZDUSSCGKSA-N 439.419 1.096 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1638075581 SCMJQXFRICHDHX-SFHVURJKSA-N 447.557 1.072 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1638705636 JGDGHWFFDXDCDZ-DLBZAZTESA-N 437.537 1.906 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1F 1640652249 BBIODYZFXZHETF-QWHCGFSZSA-N 449.460 1.943 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)n[nH]2)c1C 1643324410 IARFKRUHTJGUIX-UHFFFAOYSA-N 440.529 1.922 30 10 IDEE C#Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)c(Cl)c1 1653072678 JGRBNTSLTGVLBS-UHFFFAOYSA-N 425.919 1.936 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1654001552 IFQDFQJSVJARFL-GOSISDBHSA-N 449.573 1.272 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)sc(C)c1C 1654975474 SSJAMUCEOCCBPY-SCLBCKFNSA-N 425.532 1.350 30 10 IDEE C=CCC1(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCCC1 1675541833 VHXHHTRMHYZJPB-UHFFFAOYSA-N 435.594 1.969 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 1680909905 RBHRBORBIFOWRY-UHFFFAOYSA-N 444.351 1.404 30 10 IDEE N#CCC1(CNC(=O)N2CCN(c3ncc(I)cn3)CC2)CC1 1682170543 ZXLXDWXLUKSPEN-UHFFFAOYSA-N 426.262 1.607 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689864764 HZGUOROTLVMCEU-DLBZAZTESA-N 447.561 1.605 30 10 IDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1689935470 HFIMOJUHJNPHRZ-UHFFFAOYSA-N 438.576 1.696 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(NC(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1689981913 DJGDCXCKEOTRKQ-IBGZPJMESA-N 444.561 1.791 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1690132039 FENUHCXTKFWNSR-FQEVSTJZSA-N 449.559 1.205 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O 1690205973 DGNPDJXMKIXYQE-JTDSTZFVSA-N 440.591 1.140 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1690245786 MZQLFDLCLSUIFM-LESCRADOSA-N 437.566 1.224 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1690679098 KKNOTGZZJOINDD-YJBOKZPZSA-N 446.533 1.230 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1690724602 SEVKVEBRSOCGPC-UHFFFAOYSA-N 445.593 1.962 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1690993167 GLSZBYJHOXUMAN-HNNXBMFYSA-N 427.484 1.679 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1696470984 WNRYMIPVUODWLC-FQEVSTJZSA-N 430.534 1.166 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696585400 PVRYDHDGCWEVQF-KRWDZBQOSA-N 425.493 1.533 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@H]2CCS(=O)(=O)C2)c1 1705504345 TWJZVZCVTGSYOO-QGZVFWFLSA-N 429.546 1.892 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1705562057 YBLJGGKADYNCOJ-YJBOKZPZSA-N 444.561 1.820 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705622737 RWECBMIAPRFCPR-VJBMBRPKSA-N 448.564 1.744 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)n1 1705631264 YPFWGJVPQLAUGK-QGZVFWFLSA-N 448.593 1.493 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(Cl)cc2)CC1 1705632645 XFZQMYYSPFNCOS-UHFFFAOYSA-N 430.940 1.904 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1705650687 XNKYNIBDBZFZCG-BGYRXZFFSA-N 444.624 1.942 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(F)(F)F)CC1 1705652653 HUOFKDKLQXOCDK-GJZGRUSLSA-N 429.443 1.530 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1705695245 AXGXVNJWPWSKFS-QXSJWSMHSA-N 429.612 1.811 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1705876329 VEWUHCFHSRZZST-YJBOKZPZSA-N 438.488 1.957 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)NC(C)C)C1 1705922377 LUONLSZPVJRIAX-HNNXBMFYSA-N 437.504 1.900 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1705922651 QHMFBAQBPZCOSU-QWFCFKBJSA-N 429.569 1.959 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1706056939 BGCPWNYUYINBRY-IBGZPJMESA-N 436.520 1.383 30 10 IDEE CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)N(C)C 1706360127 AARYPTMQDJERBW-SQGPQFPESA-N 439.630 1.995 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCN(C)C 1707668852 PLWUIWFERDAFFW-JOCHJYFZSA-N 437.592 1.932 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(OC)c(O)c1 1709136918 BSNDVIQWNOFMMG-UHFFFAOYSA-N 436.520 1.843 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722317122 BXWPUAGFBNLSNR-UHFFFAOYSA-N 449.559 1.630 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOCC1CCOCC1 1722347745 NWXYTKLKKZDRHF-UHFFFAOYSA-N 436.520 1.824 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1722365863 PTJKLRGXIUGWRT-DLBZAZTESA-N 425.624 1.467 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1722394997 MFWMBWYHAHHYOF-UHFFFAOYSA-N 427.310 1.686 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1722428316 FEEYAQJUPNXGNQ-KRWDZBQOSA-N 442.545 1.271 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2CCS(=O)(=O)CC2)CC1 1722447204 JCUSYYPQHSFQKM-UHFFFAOYSA-N 435.594 1.267 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCn3ccnc32)CC1 1722450442 IXDRZWCNBQNJJH-SFHVURJKSA-N 425.537 1.555 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722517863 ONGIHVNXRIBEOI-DXQAYGFFSA-N 448.549 1.109 30 10 IDEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1722622708 RMJHTVFOWYHHHX-UHFFFAOYSA-N 437.342 1.965 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)C(C)C 1723337025 DBFUPFINQOIZRQ-KRWDZBQOSA-N 439.568 1.626 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1729208543 IXGKIAQKEKSOAL-WMZOPIPTSA-N 431.518 1.531 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1730441330 CPHIXNNKEZSNAC-INIZCTEOSA-N 426.525 1.292 30 10 IDEE COCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1730704465 YOBBXPLBTYBEFT-JKSUJKDBSA-N 436.513 1.352 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCSc1nccs1 1740532907 MROCYZXWVLNWCE-CHWSQXEVSA-N 428.609 1.985 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740573289 AVEUUYHHMISNNX-QGZVFWFLSA-N 433.578 1.432 30 10 IDEE C=C(C)COCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740799229 INYONHFIDUHKFE-QFIPXVFZSA-N 435.569 1.970 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)C 1740893427 JUWXFCGUKNMKAH-UHFFFAOYSA-N 434.566 1.590 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(C#N)C1 1740953775 QLZAQUKYTVQAIP-NRFANRHFSA-N 442.545 1.781 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740991479 XNRQGFBGTYNKHJ-UHFFFAOYSA-N 448.549 1.452 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1740995156 BQUGVTMNHIAAJO-JKSUJKDBSA-N 436.538 1.806 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCCCCCO 1743239866 WEJKNRLHOVJAOR-MSOLQXFVSA-N 440.552 1.711 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N1CCOCC1 1747193617 DUDYNAKRUPYSPO-SFHVURJKSA-N 440.552 1.129 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)c1 1748691881 NMBRBLJIIZUMNU-MZNJEOGPSA-N 446.511 1.936 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1748788383 BNAAFSUCTVSDCZ-QZTJIDSGSA-N 449.552 1.852 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748814446 GGWCSUVNFVOCSL-RTBURBONSA-N 442.589 1.760 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1748816907 AVOSTLIBOPIXAU-SFHVURJKSA-N 437.610 1.214 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1748905969 NAOFHOMCKGNHSP-QGZVFWFLSA-N 446.577 1.233 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCn2cncn2)CC1 1748979580 FRKZBKFUFKDQBB-UHFFFAOYSA-N 441.337 1.755 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1749114317 ABGYJQAPHPSFAM-PKOBYXMFSA-N 432.569 1.846 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1749663527 JBVMHZIDFCHYBA-UHFFFAOYSA-N 439.476 1.831 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749681219 YNOLQQCBRBRHMW-OPAMFIHVSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC)CC1 1749730769 PZCDIPADMZKVSP-UHFFFAOYSA-N 434.522 1.138 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1C(C)(C)C 1749739649 IQHWWDWLPOTYEZ-SFHVURJKSA-N 438.642 1.393 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 1749760127 CNFCQZJCLTXQTA-UHFFFAOYSA-N 428.566 1.436 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)CCO1 1750014376 KHGMLUGHXADVAJ-FQEVSTJZSA-N 426.521 1.973 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Cl)cn2)CCO1 1750386296 DUDCBXLKUWVRNV-CQSZACIVSA-N 427.856 1.204 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1760189419 UHCHHOCLIJMXMP-NEWSRXKRSA-N 435.594 1.629 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(-n2cccn2)c1 1760243920 UOGFYYATNAFULZ-UHFFFAOYSA-N 434.504 1.229 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCOCC(F)F)CC1 1760268489 KUBHUUBWPZNYJK-UHFFFAOYSA-N 432.475 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1760269580 LWJONCNWDLGPBG-QGZVFWFLSA-N 446.552 1.273 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCOCC2)C1 1760299671 CWTWZQLFJBNZBX-UHFFFAOYSA-N 440.342 1.809 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760353041 FGZONPGFAOBBFA-INIZCTEOSA-N 434.518 1.890 30 10 IDEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1760454764 RMCQJAPALMHBBP-NRFANRHFSA-N 427.530 1.974 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1760501032 FOXHISXFKOXQQS-MRXNPFEDSA-N 430.534 1.790 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1760515203 RDRZXKWFWAACTB-IRXDYDNUSA-N 444.923 1.531 30 10 IDEE CCCN1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)CC1 1764423058 LAOPRLKFKGKVCZ-HXUWFJFHSA-N 426.569 1.991 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1765012373 YECJDOLBXUEOFX-YGCDDZCOSA-N 441.536 1.252 30 10 IDEE CO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1769595568 LGBVDYJIWVEPPU-HUUCEWRRSA-N 443.474 1.560 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC(C)C 1771195812 SXSXBNBCRXMEOX-OAHLLOKOSA-N 430.509 1.962 30 10 IDEE COc1ccccc1N1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851518965 DTGSQYJTSPBONG-NSHDSACASA-N 433.408 1.919 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)cc1 1854405374 HEWSNRZWCZLTNC-SFHVURJKSA-N 429.542 1.980 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC(C)C)CC3)OC2=O)CC1=O 1855148939 HBNYXOVTTNRUJM-SJORKVTESA-N 441.550 1.066 30 10 IDEE C[C@H]1CN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCOCCO)C[C@@H](C)O1 1870349860 GNEOUGJFUONSKM-KDURUIRLSA-N 441.528 1.917 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc(O)c(O)c1 1874277109 KDEDPVIDFWBIDZ-UWPAOYMWSA-N 447.517 1.951 30 10 IDEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC[C@@H](Oc3nccnc3C#N)C1)CS2 1891283873 JLMROYUEMSCZNK-HUUCEWRRSA-N 426.502 1.629 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2060626246 VETDSMTXHCIDAR-HXUWFJFHSA-N 434.302 1.398 30 10 IDEE CON(CCNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243373646 XUBOCHBVTWVGRF-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243435743 VZFZFAGALKMGRP-UHFFFAOYSA-N 448.372 1.782 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)s1 2248400904 CJNGDXBLOVMSDK-AWEZNQCLSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2C[C@H]21 2255627792 YPFCJPVODWGHMB-KCQAQPDRSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255818231 IFCYCKSBRANBFD-GJZGRUSLSA-N 436.314 1.848 30 10 IDEE CC1(C)OB(c2cc(C(=O)N(CC(N)=O)Cc3ccccc3)c(O)cc2O)OC1(C)C 2256013170 CHAAIPLAIUYQCG-UHFFFAOYSA-N 426.278 1.525 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2258956145 WEQRUGIQDXMZAR-INIZCTEOSA-N 432.330 1.987 30 10 IDEE CN(Cc1ccccc1)[C@@]1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267142477 UXKFVVGNYBMXFB-HSZRJFAPSA-N 440.353 1.730 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267261401 UOBRNGFRWGUPJR-UHFFFAOYSA-N 443.313 1.803 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267526610 VBZCESZMCFXKQZ-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267590834 UGDMTPSTOVNNRB-OAHLLOKOSA-N 449.357 1.681 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267594274 QKWINAVBPIHKDV-JKSUJKDBSA-N 447.341 1.481 30 10 IDEE CC1(C)OB(c2cc(C(=O)N(CCC(N)=O)Cc3ccccc3)c(O)cc2O)OC1(C)C 2267810493 RZSHOMDBOWDHBO-UHFFFAOYSA-N 440.305 1.915 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCCOCC(=O)O)cc2Cl)OC1(C)C 2284417479 LTRAXOMMXCSTOJ-UHFFFAOYSA-N 425.721 1.080 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2290350924 GWFQSLAAWWHVKP-OAHLLOKOSA-N 441.322 1.358 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2337197526 XRBYEKMXOLQQGH-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371194792 BGRDIMITOVVMFR-NQIIRXRSSA-N 434.514 1.365 30 10 IDEE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 12174450 WJHCKBGRAPMEIX-URMSCQBDSA-N 428.681 1.666 30 10 IDEE C=CCOC[C@@H](O)CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)C1 34691714 NHTIPIFFDSEXPY-PMACEKPBSA-N 432.517 1.532 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)CC1 36626389 SUHLBYRLMAQRQX-SFHVURJKSA-N 441.557 1.939 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/CCO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530404 ADHLLVLYTWRLEA-WNBNHNEMSA-N 447.572 1.762 30 10 IDEE biogenic C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](O)C(F)(F)F)nnc12 410068436 ZQMJKYKOIZQXTE-ZDUSSCGKSA-N 441.435 1.752 30 10 IDEE C=CCNC(=O)NC(=O)CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469982197 BOWGPUOGOXNGOP-UHFFFAOYSA-N 429.304 1.528 30 10 IDEE O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 494352478 SNMVJOMEZOUVKU-CYBMUJFWSA-N 433.280 1.825 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCCCC1 505003213 QYBVPUHRKRDAMP-UHFFFAOYSA-N 448.545 1.961 30 10 IDEE COc1ccc(C(=O)NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 506985369 OXICGXDFHAQVPV-UHFFFAOYSA-N 435.440 1.893 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 508921261 LDKHZVNHEDJJNS-VQIMIIECSA-N 431.562 1.692 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1C(F)(F)F 513379837 YFEBVYSOHDFHFT-UHFFFAOYSA-N 437.465 1.812 30 10 IDEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 522660613 FTASANKMMRVJMZ-ZDUSSCGKSA-N 438.560 1.857 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 541935722 DOJVGODJVHIQCV-UHFFFAOYSA-N 436.515 1.047 30 10 IDEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 585673806 UFLHIHGWKXEZOS-ZYYAGZCKSA-N 447.495 1.404 30 10 IDEE N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)CC2)nc1 610784289 ZOCPRMSUOIPHMM-UHFFFAOYSA-N 432.527 1.230 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCOC2)CC1 670333336 CAVNOAPGINVRDA-OAQYLSRUSA-N 438.576 1.524 30 10 IDEE Cc1ccc(Br)cc1NC(=O)CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 746189996 DRLHTPQYUFTMRY-ISLYRVAYSA-N 435.278 1.729 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)CC1 747993365 IDKUUTMACXFHSM-CALCHBBNSA-N 426.517 1.227 30 10 IDEE CCOCCOc1ccccc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 748402491 NWXBMKJGEZXALE-UHFFFAOYSA-N 442.472 1.776 30 10 IDEE C=CCS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 772716546 DFDWLRFVOCDZKT-CYBMUJFWSA-N 437.337 1.234 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1C#N 774810858 REMRAGPEIRWJDM-KRWDZBQOSA-N 428.514 1.434 30 10 IDEE C[C@H]1C[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 775849042 HSELKLFXBCFIDK-KIFHICPWSA-N 438.576 1.046 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@](O)(CN(C)C)C1 788207454 YOTGNCZGUXZGCU-UWJYYQICSA-N 436.578 1.199 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1C#N 792247197 GZPOLTPNDTZRLD-UHFFFAOYSA-N 430.468 1.950 30 10 IDEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1 807935699 UZMSNGKHSDPYAN-GOSISDBHSA-N 443.577 1.577 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 810361019 GIGFKHHWYYQJSV-OAHLLOKOSA-N 436.534 1.600 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 812310685 MMLVAJOBOXGUOS-MSOLQXFVSA-N 429.521 1.838 30 10 IDEE C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 812529148 BGJIIASEDIOXNP-AOCRQIFASA-N 443.614 1.776 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 813809332 RYLTYYKHHAGXQT-JKSUJKDBSA-N 425.551 1.608 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cn2c(O)nc3ccccc3c2=O)C1=O 914830307 MKIHYISSKAFWAE-NRFANRHFSA-N 429.477 1.804 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)ccc1F 1131521218 LTGZWHNVIMMPAC-QGZVFWFLSA-N 438.502 1.690 30 10 IDEE CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1151724684 CRDZUPKLTYTNQI-CYBMUJFWSA-N 427.244 1.026 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286344758 JKBQUMPXPHKVPF-IAGOWNOFSA-N 428.489 1.736 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1286396015 TZSDKBDOSNHUNN-OALUTQOASA-N 437.610 1.878 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCOCC1 1286504659 UZTJQIBCVGSRPV-UHFFFAOYSA-N 434.591 1.831 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286665974 GTQLHRUFJNFZBK-UHFFFAOYSA-N 440.614 1.927 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CCOC)CC1 1286783894 PEJCFFPLFURPOP-UHFFFAOYSA-N 435.532 1.564 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1286789903 IUIYLKRZYYQZNC-QHCPKHFHSA-N 438.532 1.109 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)C1 1286808735 NFXCHNUCKABKPB-CQSZACIVSA-N 437.522 1.222 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1COCCO1 1287007493 DFJDTQWDFZFOQL-GOSISDBHSA-N 425.537 1.974 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1291045206 AGRDZTOQBXZFLG-VWKPWSFCSA-N 429.546 1.991 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCOCCCO 1291195466 RLAMQDOLPQMMSX-INIZCTEOSA-N 426.525 1.321 30 10 IDEE CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1293668577 VAQQECWXJIYPCA-JFDDCEBESA-N 444.565 1.448 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)s1 1297738853 ACRHJJGNMBJOHC-DGCLKSJQSA-N 426.482 1.774 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1298756304 LUFWFEORUYOKIF-IBGZPJMESA-N 426.448 1.346 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C)CC1 1300381310 BHKZRADOHRNGRF-ICSRJNTNSA-N 432.569 1.016 30 10 IDEE C#CCCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1300411234 HLJWKYAPKXXTOI-BZUAXINKSA-N 437.566 1.380 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1300496423 RDWRTGXFOUHAPY-RBUKOAKNSA-N 429.546 1.784 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1300559632 VVCKEZLTZRJHKZ-DEOSSOPVSA-N 435.528 1.929 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1 1300648953 RKHMFURQQJILHX-GOSISDBHSA-N 427.480 1.420 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)C(=O)NCC)CC1 1300709811 HDNQPIWIHZNCQJ-UHFFFAOYSA-N 442.539 1.914 30 10 IDEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1300974451 IVAWQYKNPDCFDT-UHFFFAOYSA-N 445.520 1.890 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1301273177 PKDCECFIWQIMNR-ZDUSSCGKSA-N 426.543 1.862 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1301273614 TWDKQXUATQGRKB-MJGOQNOKSA-N 448.593 1.412 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C 1301367520 POUNMVMOZBHLMS-GUDVDZBRSA-N 443.596 1.595 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1301727477 DDEDNDIPYHAPQK-MBSDFSHPSA-N 440.548 1.779 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1301967751 GIUNLWIRVAAFTO-DLBZAZTESA-N 436.582 1.569 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1302225762 YKPBNIASOYFQKG-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1303013919 MJMNPEANNOXJHA-DLBZAZTESA-N 444.561 1.940 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1303933244 HRFYLHTXXYOFQT-FOIQADDNSA-N 434.566 1.369 30 10 IDEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304270931 KLZJZXKHJXAULG-ORAYPTAESA-N 437.522 1.096 30 10 IDEE CN1CCN(C(=O)CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1305896140 PIMIZDXDPHXWEO-HXUWFJFHSA-N 441.532 1.283 30 10 IDEE CCc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1306171804 VJOZQVVRDQNGQT-UDJKBAMHSA-N 429.525 1.108 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1314225424 LJBDJTHWGLJNNE-KSZLIROESA-N 443.504 1.524 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(=O)NCc1ccco1 1314741500 RPYUCVWSFRPLCW-UHFFFAOYSA-N 447.499 1.818 30 10 IDEE C=CCn1cnn(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1=S 1320790350 UMPAJSGHVKIBRM-KRWDZBQOSA-N 430.582 1.413 30 10 IDEE CSc1nc(O)c(C(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1C#N 1322717775 UWKLHLQCTIRVHE-UHFFFAOYSA-N 434.490 1.512 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 1358414021 FGVLQXOAIJTPOG-HNNXBMFYSA-N 425.507 1.455 30 10 IDEE C#CCCCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1358936436 NASAQSRVIZDDSU-WZONZLPQSA-N 444.580 1.133 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358960648 IWQBFNQXBJITER-GOSISDBHSA-N 428.493 1.493 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1358961683 DACZUWXNOVYWQA-OAHLLOKOSA-N 439.488 1.905 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1359054723 FBFIFTYIVHZSGY-OAHLLOKOSA-N 435.513 1.287 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359475097 COYSGFANLYNONM-WBVHZDCISA-N 434.541 1.885 30 10 IDEE CCOC(=O)[C@@H](COC)N(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1435926106 FIJDHTQCHNRLAS-QZTJIDSGSA-N 442.472 1.332 30 10 IDEE COc1nc(N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)ncc1Br 1459603541 DEEACLRWFSHBNI-CQSZACIVSA-N 440.342 1.441 30 10 IDEE C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCN1c1cnccn1 1460969842 FAAFYAVBXIXYEZ-QZTJIDSGSA-N 425.562 1.458 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)CC1 1462982726 CXPCJUZGDRQCSI-UHFFFAOYSA-N 435.550 1.478 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1463851653 JMZALHUPDOGOQG-VGOFRKELSA-N 427.505 1.485 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc(I)c(Cl)c2)c(=O)nc1O 1470361495 RQYQZMVDPOVROA-UHFFFAOYSA-N 444.616 1.509 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC 1471013274 OYNZMPHLQIRNDH-QWHCGFSZSA-N 438.930 1.211 30 10 IDEE CN(C)CC#CCNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1471035934 PBZHCFUJOPPOGZ-SJLPKXTDSA-N 441.391 1.724 30 10 IDEE C#CCn1ccc(CN(CC)S(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 1475260471 ASXPRTOENDTPAH-QGZVFWFLSA-N 426.539 1.304 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F)C(=O)OC 1475377984 AATBWHLPBCBQQF-GFCCVEGCSA-N 436.255 1.608 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 1475667414 JASYKOGRWZWREW-LBPRGKRZSA-N 435.365 1.229 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1504887919 GDLISTQHVHXJLW-MRXNPFEDSA-N 425.555 1.363 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)c(OC)c(OC)c1 1507600620 IAJRMOQJCLAUMN-CYBMUJFWSA-N 437.522 1.032 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1507617058 QMAXMCMWHHKJAL-ROUUACIJSA-N 448.568 1.377 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1507630136 UGYVRIJJXNQJLB-DYESRHJHSA-N 441.513 1.468 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)CC 1507652053 DBQVBXRFNSUPNN-SSEXGKCCSA-N 425.562 1.294 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1507711170 PJVOGCCRGBXQLM-DLBZAZTESA-N 446.529 1.106 30 10 IDEE C=CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1507990381 ORCOMTOOROEPBW-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508134587 UFQXMXYWZNFIJG-JOCHJYFZSA-N 443.573 1.825 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(S(C)(=O)=O)CC2)CCOC1 1509793976 XAVKACFRRPLZDD-BEFAXECRSA-N 425.555 1.634 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@@H]1C 1517703055 WWOCVHQGHLSRRU-KSFYIVLOSA-N 440.504 1.899 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1518816400 CVYXCSZNGSWZAR-UHFFFAOYSA-N 432.488 1.753 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CC(=O)NCC(F)F)cc1 1521096143 YAKDCIHFXYDRAG-FQEVSTJZSA-N 432.431 1.194 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)c1 1526134449 WSIFRPNXYDFYMJ-UHFFFAOYSA-N 425.510 1.895 30 10 IDEE C#CCN(C(=O)c1nn(C)c(C(F)(F)F)c1Br)[C@@H]1CCS(=O)(=O)C1 1530298037 RIHUHSWXCDSWQI-MRVPVSSYSA-N 428.230 1.464 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCO[C@H]1CCOC1 1539315794 UQLPBMZXZVRFEL-KRWDZBQOSA-N 425.489 1.664 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539512578 DBPUNUAWDCLEPL-VFNWGFHPSA-N 446.577 1.353 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539526354 NKNDAMBJJQCVLW-MRXNPFEDSA-N 439.607 1.170 30 10 IDEE C#CCSCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1539530754 MVWCMYCXZHQQOO-FCHUYYIVSA-N 449.621 1.598 30 10 IDEE COc1cc(N)c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1S(C)(=O)=O 1540472450 NZVDYCKEOWCQEA-GOSISDBHSA-N 446.504 1.843 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1540870095 DYNCIKPHSFZUEK-HOTGVXAUSA-N 445.524 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1540903380 CLYYUXLZUJYGCN-OAHLLOKOSA-N 442.545 1.263 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540911414 SEJARIRWMQQTBC-HNNXBMFYSA-N 439.549 1.507 30 10 IDEE C=CCONC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1556632991 MDFQVJPLPSQLQD-WBMJQRKESA-N 431.942 1.969 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1565005231 OECIJQFLNDCVNU-IBGZPJMESA-N 433.578 1.493 30 10 IDEE COc1cc(Br)c(N)c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1567645769 HERZJFVGIJQZGZ-UHFFFAOYSA-N 433.310 1.916 30 10 IDEE CCOc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)nn1 1585402211 YCCKBRAVRQERHX-UHFFFAOYSA-N 443.529 1.915 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(CC)nn(C)c1CC 1587945722 PECPRSKBXVALRL-UHFFFAOYSA-N 430.520 1.897 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(OCC(=O)N(C)C)c1 1588024696 JSNRHUCNJFATAF-RXVVDRJESA-N 441.532 1.587 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1588030427 UWKPYUZHBUQHFB-KRWDZBQOSA-N 430.534 1.430 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1588138639 GZJWXIXTLVWZDJ-KRWDZBQOSA-N 429.521 1.574 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(OC)CCOC1 1588581106 GTWXVBNJKDCOBZ-GOSISDBHSA-N 438.326 1.927 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](C)(O)c2ccccc2)CC1 1588751447 KWNVOSCNFZPAAN-AUSIDOKSSA-N 427.549 1.665 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(C(C)C)n2)CC1 1588864469 DRDZUZFWNJTKIW-UHFFFAOYSA-N 441.605 1.978 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCOC2(CCOCC2)C1 1595577259 MSLFGDIIWFZIPE-UHFFFAOYSA-N 441.532 1.854 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 1595714247 MNRSNSWHNDQGTN-ICSRJNTNSA-N 428.585 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1595759315 DJXQIXQEJXSJDU-KRWDZBQOSA-N 443.577 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1595812463 VFSNLNRUIXFIEZ-UHFFFAOYSA-N 441.561 1.425 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1610042751 ACOJWUQXDCHVAB-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CCCCCO 1612885464 SQBDNMQQRDQOLB-MSOLQXFVSA-N 440.552 1.711 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1617693563 NEWMPQLRZKZJAV-PMACEKPBSA-N 431.585 1.174 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)C1=O 1618455958 GWYKZCLVXNFGKJ-ACJLOTCBSA-N 448.325 1.253 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1618595068 BUGAWNHJQYMPFF-JOCHJYFZSA-N 426.521 1.854 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3)C2=O)cc1 1625587450 OHYYWEVHEQVXPO-ZBFHGGJFSA-N 437.422 1.906 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)c1cc[nH]n1 1626999820 LWOXTIHRNDYVAX-KRWDZBQOSA-N 428.445 1.428 30 10 IDEE N#Cc1ccc(NCC(=O)N2CCC(n3nncc3I)CC2)nc1 1629391320 MXJIYUKHLPSGTD-UHFFFAOYSA-N 437.245 1.425 30 10 IDEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)C(=O)OC(C)(C)C 1630290798 BAOIYDTWBYZAMZ-UHFFFAOYSA-N 439.534 1.098 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1632005795 QVWGYZFHEHKUMA-ROUUACIJSA-N 443.610 1.651 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2ccc3c(c2)OCCO3)CC1 1635907400 QWWKFWCZYPOXJW-CQSZACIVSA-N 427.482 1.802 30 10 IDEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1(CNC(=O)OC(C)(C)C)CCOCC1 1636243564 GEMXJJZCKNHBHW-ISLYRVAYSA-N 436.509 1.435 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 1636479761 GMVYTDSFPDKHIJ-MRXNPFEDSA-N 426.336 1.091 30 10 IDEE COC(=O)C1(C2(O)CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)CCC1 1640534754 SDISSAPDWWPLRS-UHFFFAOYSA-N 434.514 1.170 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1641698586 NMZKWFCJNJYFCZ-HTAPYJJXSA-N 427.505 1.628 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CC1 1644281604 HZGOIJWMEZFHMU-UHFFFAOYSA-N 432.933 1.991 30 10 IDEE Cn1c(=O)c2cc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)cnc2n(C)c1=O 1644719123 OKRHRTCTLIYSSD-UHFFFAOYSA-N 428.298 1.331 30 10 IDEE Cn1c(N2CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1652051728 IAZGGDOLLJRWHQ-DGCLKSJQSA-N 445.442 1.485 30 10 IDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)C1 1654531587 ZGOVTBPBXSCSKT-NWDGAFQWSA-N 426.267 1.528 30 10 IDEE CNC(=O)[C@H](CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)Cc1ccc(OC)c(F)c1 1673912711 IPNCOSUOYRXGGM-ICSRJNTNSA-N 442.491 1.986 30 10 IDEE C#C[C@@H]1CCCCN1C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1678146744 VMAQMRHHEQYQJD-JOCHJYFZSA-N 426.561 1.969 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1680699943 JSQHEBFXSQESQJ-BBWFWOEESA-N 445.582 1.691 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)nc1 1683347161 UHJVADHIJPUOFE-MRXNPFEDSA-N 427.486 1.020 30 10 IDEE C[C@@]1(C2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1686084087 HNJNBMMDELELOV-GCJKJVERSA-N 425.489 1.974 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1689991756 BZOPOEYMGIMZQM-HZPDHXFCSA-N 428.649 1.952 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1690179392 XQJAEEYOPYNYJB-UHFFFAOYSA-N 438.536 1.886 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CC 1690621880 CALYEXVIBPUPSD-ROUUACIJSA-N 425.599 1.693 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ncccc2F)C1 1690711987 LOBRWEIYBSVBJL-MRXNPFEDSA-N 430.484 1.795 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690720827 STNCLDJRFLUGAN-QGZVFWFLSA-N 446.577 1.826 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CCOC1 1696052118 FEUZDSOABGHAGF-JRGCBEDISA-N 434.516 1.631 30 10 IDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)CCOC1 1697237408 ALSQSQVFKUUVLR-QFIPXVFZSA-N 427.505 1.743 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@H](C)C(=O)NC 1705525803 VQGFDMXRVLUNGD-HNNXBMFYSA-N 445.593 1.778 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCc1ccco1 1705612056 XPDLGYBOSVRXAZ-UHFFFAOYSA-N 431.456 1.963 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1705667433 LRDLZFCLUYSMHX-HSZRJFAPSA-N 437.548 1.688 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1705673082 PDOQIUXFVCTELL-XMSQKQJNSA-N 441.557 1.814 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705734275 JNLVMMBYKUHBPG-GOSISDBHSA-N 441.536 1.643 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705905654 CECRKTBTHVMMQB-UXHICEINSA-N 439.564 1.113 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1705906965 VXUPSSPINFUIQE-UHFFFAOYSA-N 432.912 1.514 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1705909719 GKWUWAHFFWRUHS-IBGZPJMESA-N 437.504 1.243 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)c1 1707630581 BNGIZGNWUDTIHV-LJQANCHMSA-N 445.545 1.719 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1710314255 AMWIDRHCHIAXPO-GOSISDBHSA-N 442.520 1.757 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1711422958 QNFSSPYEHPSYGO-SFHVURJKSA-N 444.561 1.762 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1712183393 ONCDJXMVSMBIDC-OIISXLGYSA-N 431.424 1.827 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1722399434 TWAMDFCCZKNTEE-UHFFFAOYSA-N 449.555 1.817 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CSCCS2)CC1 1722430662 HXTGLRXHFSHDHU-DLBZAZTESA-N 425.624 1.606 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCN(CC)S(C)(=O)=O)CC1 1722436025 ZDCCVOKSVYTQLN-UHFFFAOYSA-N 444.605 1.680 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722462361 MNRYYZCIOJDXRT-ZWKOTPCHSA-N 427.578 1.754 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722535194 BFUMCCAEOGHERG-CABCVRRESA-N 447.517 1.976 30 10 IDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)CC1 1722740358 OCYCUSFJLRLXNN-UHFFFAOYSA-N 425.518 1.839 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1722742708 DFQZDPOGYZZLHR-UHFFFAOYSA-N 441.623 1.723 30 10 IDEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1730116904 SQCUCMNPZGCOEH-FGZHOGPDSA-N 426.496 1.992 30 10 IDEE C#CCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740597485 UIEYBIUTCHRVRX-QFIPXVFZSA-N 425.537 1.849 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1(CN2CCOCC2)CCCCC1 1740612887 LSCFUKVDYVVXLJ-UHFFFAOYSA-N 428.581 1.753 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1740653804 YTIUHUJCGJXYGT-WJOKGBTCSA-N 436.541 1.424 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1740686917 YFDCIKFHMXEHNV-GOSISDBHSA-N 430.530 1.345 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1740694077 XPZVKSJLHAHIPE-UHFFFAOYSA-N 431.544 1.789 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(=O)NCC)CCC2)CC1 1740698431 FMYILPRGJNXBGA-UHFFFAOYSA-N 438.580 1.201 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1740729432 FPVUNMRILWNFKZ-LAUBAEHRSA-N 427.530 1.673 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1740764980 MUMJHMSNFLNDLO-BRWVUGGUSA-N 425.555 1.192 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1740957656 WPXSGHWFHPSCDP-UHFFFAOYSA-N 438.511 1.442 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1740964427 BWTNXSYCKPWKIL-NRFANRHFSA-N 444.561 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1740964984 BVOVQJLJPLUZGD-OKZBNKHCSA-N 432.569 1.953 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)n(C)c2=O)C1 1740980774 MQZVSKDOOPOYBS-MSOLQXFVSA-N 447.561 1.017 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740992174 MPFTYJGWXCGNRO-OXQOHEQNSA-N 426.583 1.852 30 10 IDEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)c1 1742357371 HAKHLTJDVYSLLU-OAQYLSRUSA-N 438.467 1.761 30 10 IDEE Cc1ccccc1CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1742438162 OJIAXRJBKLDSLW-MBOBHEEDSA-N 449.515 1.700 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C1 1748170568 AFTKBPDSNYRVLZ-IBGZPJMESA-N 445.527 1.835 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1748673008 YGQUEOAVQPFBNX-AEFFLSMTSA-N 429.546 1.377 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)C(=O)C1 1748708533 AKDZNVZLHMGXPP-UHFFFAOYSA-N 425.489 1.772 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1748730459 KXECZMJSWKQLOB-FQEVSTJZSA-N 445.612 1.061 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1748963062 XKFCNDWNZJQYPP-KNQAVFIVSA-N 449.621 1.466 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749312053 AQSPUXRVCPWMRQ-NRFANRHFSA-N 432.546 1.872 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1749629931 KXUFZTGLVXJKKG-SJLPKXTDSA-N 435.594 1.841 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749664099 WUBSMVJGPFAKKA-CQSZACIVSA-N 425.459 1.659 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749676644 XZDXTFOKPIBTDY-MRXNPFEDSA-N 431.566 1.241 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC)C1 1749697903 NUQWAKDKHQMZNV-RDJZCZTQSA-N 435.550 1.727 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCCS2(=O)=O)C1 1749704171 XFTACEUZUROBTR-IBGZPJMESA-N 447.561 1.771 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749727451 UVURBRFMKXXIEC-INIZCTEOSA-N 433.534 1.823 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1749743999 CWKZHCDCORROSP-XHSDSOJGSA-N 430.644 1.726 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC=CCO2)c1 1750193219 NSEMOZBGLJROPL-IRXDYDNUSA-N 429.502 1.422 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)COC)CC1 1760141089 JEGQJNQPAVVDDC-UHFFFAOYSA-N 444.561 1.368 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1760253452 QIERGUIKEYQWEO-INIZCTEOSA-N 436.509 1.517 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C/C=C/c2ccccc2)CC1 1760254455 XMYDDVCKNLEMAO-MZEUMTGBSA-N 428.562 1.357 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2C[C@H]2C)CC1 1760260830 CFMHUQXNPZZSCM-QYZOEREBSA-N 444.580 1.998 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1760261483 RUFHYKFLGDVIGU-UHFFFAOYSA-N 446.555 1.976 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCS(C)(=O)=O)CC1 1760264918 YXSJJGRJMVFSLO-UHFFFAOYSA-N 447.561 1.056 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1760280928 JUAVMMZTJNUJJD-QGZVFWFLSA-N 441.623 1.746 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760524263 TYMUADFTEGJGRS-WOJBJXKFSA-N 445.612 1.079 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1760525849 UOCFYDSDVJJUFV-UHFFFAOYSA-N 439.564 1.649 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760554450 DUDMPNDIOUCIMD-MRXNPFEDSA-N 446.639 1.871 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1760556850 RQKZMNZKNHFONP-MRXNPFEDSA-N 433.534 1.254 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1766879945 DYWWBDJVZFFSEM-GOSISDBHSA-N 439.589 1.780 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCOC1 1768216271 GWXDBKQGOVUCAL-YLJYHZDGSA-N 431.518 1.246 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1768903355 KOOQAVATWCGPBV-SFHVURJKSA-N 433.534 1.493 30 10 IDEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 1770235270 GDLUAOVHCGALQF-MRXNPFEDSA-N 447.499 1.848 30 10 IDEE COCCOC1(Cn2c(CC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1771232545 WTBHNLDRHUAKKL-HXUWFJFHSA-N 446.596 1.865 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N(C)[C@@H]2CCOC2)cc1 1853033142 ZCSDERAYSPZZDR-WIYYLYMNSA-N 443.525 1.704 30 10 IDEE CC[N+]1(C)CCC(N(CCn2ccc3ccn(C)c3c2=O)C(=O)c2cnc(C#N)nc2)CC1 1853452894 SADIDAUNSLGDFO-UHFFFAOYSA-N 448.551 1.773 30 10 IDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1855507534 QAKXWVYWULGWKC-KRWDZBQOSA-N 425.938 1.740 30 10 IDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870002445 MYRKZTOWGLQCEV-INIZCTEOSA-N 446.489 1.399 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC)cn1CCCN1CCCC1=O 1870692835 JREQJJZPJNKZDO-UHFFFAOYSA-N 431.533 1.977 30 10 IDEE COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890242640 KVNSJZWCUYHZII-UHFFFAOYSA-N 430.505 1.475 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986132525 RUMCJYAJDXOHKA-OAGGEKHMSA-N 425.526 1.780 30 10 IDEE N#Cc1cc(I)c([C@@H](O)C(=O)O)cc1I 2060282861 UWKPZRYRIAKYSW-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE C=C(CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2247953071 RIUIVMDSVWNBRS-HNNXBMFYSA-N 446.375 1.729 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255608750 ALOOBGUHLBJMRP-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2255611683 JHGZSKYQHPIYCQ-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256891036 JXJBFWRASNDKRX-GJZGRUSLSA-N 437.321 1.984 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2259345122 CTXPTHUBUAZCNU-CHWSQXEVSA-N 435.334 1.147 30 10 IDEE COCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2267275850 TYUMXWUDDWEXLG-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2267542578 UBOWZZOSIJFSHO-BFHYXJOUSA-N 447.345 1.100 30 10 IDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SC)ccc1OCCN1CCOCC1 2330717897 BHOGEMUOSIPIJQ-UHFFFAOYSA-N 448.549 1.238 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nnc(C)s3)n2N)cc1 20914431 LRTHXGMUUOBTSN-CNHKJKLMSA-N 447.506 1.115 30 10 IDEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)NCc3nnc(CC)o3)n[nH]2)c1C 59883787 KFRPRVDWSNYTMT-DNTJNYDQSA-N 444.525 1.604 30 10 IDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@@H]2OC(C)=O 257416181 FKKSXNLVJJDMAR-NPXNRRRTSA-N 448.512 1.517 30 10 IDEE C=CC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 410069522 RRMHQNHPKPUSPX-UKRRQHHQSA-N 431.352 1.903 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)N2CCc3ccccc3C2)CC1 444574383 PTQJSKPTGDSSGJ-UHFFFAOYSA-N 438.553 1.840 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)cc1 447206281 DXWUDBMKWLPDMO-UHFFFAOYSA-N 449.471 1.838 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c(F)c1 481080705 YSRGPLMRTQLDGL-UHFFFAOYSA-N 431.493 1.251 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccccc1C#N 482562951 QLGATHXRDFLGCV-UHFFFAOYSA-N 443.513 1.509 30 10 IDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)CC1 493506207 FHAOFTCZRHQCLE-KRWDZBQOSA-N 434.924 1.209 30 10 IDEE COCc1nc([C@@H]2COCCN2C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)no1 508271207 ZGFNNRMCUNFPDA-JCYILVPMSA-N 442.476 1.956 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508844288 HYZARHDSTCDFLL-INIZCTEOSA-N 449.515 1.855 30 10 IDEE C=CCN(CC=C)[C@H](CNC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)C(C)C 513701775 ZRDRDQYBCYOYHZ-GOSISDBHSA-N 427.549 1.623 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1C[C@@H]1CCCO1 515652615 QPLPKEUZWBEKDP-SFHVURJKSA-N 441.553 1.517 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCOC2)c1=O 542730008 XXGBJKPNXJLJOI-HNNXBMFYSA-N 441.509 1.891 30 10 IDEE Cn1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCOC3)CC2)c1=O 555478176 PNUIKAMPFFCGMC-GOSISDBHSA-N 446.515 1.274 30 10 IDEE CC(C)N1C(=O)C[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 557994645 SDDCMGZNUHLJEH-CRAIPNDOSA-N 433.875 1.992 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1-c1ccccc1C 609333501 ADYNFHNKXLZVMK-UHFFFAOYSA-N 449.532 1.482 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(F)c1 610082159 KHWSAPXAPVXSRG-UHFFFAOYSA-N 445.519 1.258 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 618873105 NONKODJYSFJDDQ-GJZGRUSLSA-N 441.509 1.659 30 10 IDEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732155494 CMXKZWALZLDUGZ-FMQUCBEESA-N 434.518 1.121 30 10 IDEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732441033 DXAOSIJPCZCYET-OQLSDQBISA-N 427.505 1.194 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1 733149883 WJMMQLFLTLJJFL-ZCNNSNEGSA-N 446.592 1.838 30 10 IDEE N#C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 733252862 BLWVKZBEUORQEQ-CQSZACIVSA-N 433.287 1.869 30 10 IDEE C#CCn1c(=C(C#N)C(=O)Nc2c(CC)cccc2CC)sc(=Cc2cnn(C)c2)c1=O 758075942 KSKGATNMIVOQJG-UHFFFAOYSA-N 445.548 1.543 30 10 IDEE C#CCN(C(=O)c1ccc(OC)c(I)c1)[C@H]1CCS(=O)(=O)C1 763295524 USJCERODKSMFCF-LBPRGKRZSA-N 433.267 1.562 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771543977 URQOIZHYEZCKPO-OAHLLOKOSA-N 429.506 1.062 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C)[C@@H]1CCS(=O)(=O)C1 774040458 YFXQGMWFYPTIKH-QGZVFWFLSA-N 435.571 1.838 30 10 IDEE C#CCN(C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCS(=O)(=O)C1 774224537 CXFHRRUZFDNTAP-LBPRGKRZSA-N 439.843 1.965 30 10 IDEE N#Cc1ccc(NCCNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)nc1 776037055 CBAAJQILMPRRIA-VQTJNVASSA-N 433.516 1.263 30 10 IDEE CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F 783320000 IZAARLISBCRADT-OAHLLOKOSA-N 426.456 1.197 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccnn3-c3ccccc3)nc2)CC1 790289540 KHGXVFJGPXBICE-UHFFFAOYSA-N 425.518 1.649 30 10 IDEE CC1(C)CC(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 796277132 HRAUGFAIZSJSPW-UHFFFAOYSA-N 433.530 1.761 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N 813706695 RFWXWNVRKVOIFE-QGZVFWFLSA-N 435.550 1.577 30 10 IDEE CCOC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1125126043 OWIHPFDNFKPHDV-OQCHKFKFSA-N 440.547 1.969 30 10 IDEE Cn1nc2c(c1C(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)CS(=O)(=O)CC2 1127512369 NKCLSZSRJCDTME-UHFFFAOYSA-N 430.877 1.854 30 10 IDEE CC[C@H](C#N)N(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1130231875 DTWIEHIZMSYXEU-GOSISDBHSA-N 434.562 1.677 30 10 IDEE CCCCCn1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc2c1=O 1134053603 ZWYBWHYIUXIUGN-BTYIYWSLSA-N 428.514 1.597 30 10 IDEE COc1ccc(CSCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1[N+](=O)[O-] 1134276607 ZGWGRFDLCKFNJM-GUYCJALGSA-N 425.488 1.233 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1138389718 NNUINPUNHNFBFO-AWEZNQCLSA-N 430.493 1.935 30 10 IDEE N#C[C@@H](CO)NC(=O)c1ccc(I)c(I)c1 1140739086 AXIADZJEBNFGGD-ZETCQYMHSA-N 441.994 1.510 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H](O)CC3(CCOCC3)C2)CC1 1175651272 LNOVKDOVELJEGH-RTWAWAEBSA-N 430.524 1.398 30 10 IDEE C#CCC1(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CCOCC1 1195015001 QJHRUJKVGCSIHS-UHFFFAOYSA-N 436.349 1.703 30 10 IDEE C#CCN(C(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1254374777 GAAAJSGNLLYCLI-RDJZCZTQSA-N 427.567 1.854 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1 1286298969 RPZKLIOVPRCKJZ-CQSZACIVSA-N 429.529 1.422 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1286309504 LGZYARJYOZUXLF-KRWDZBQOSA-N 435.488 1.200 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2c(C)noc2C)CC1 1286646314 PFHQCKWMJIVYTB-KRWDZBQOSA-N 436.538 1.421 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1286758108 DLRNUOFSTQRZTI-KRWDZBQOSA-N 435.554 1.054 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286784787 UBDFDMSRJQRUNV-QGZVFWFLSA-N 437.548 1.036 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1300307362 FPKPIXDLXCOZQQ-MRXNPFEDSA-N 443.577 1.487 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1300411148 RAGKDHQPFIGDPU-HOTGVXAUSA-N 427.596 1.356 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1300448964 JQNDYOALDVJPNK-MRXNPFEDSA-N 427.505 1.527 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1300621883 QHLSSJLUOYKHKB-FPOVZHCZSA-N 435.576 1.899 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300755575 XFDJNESMAFRFFD-UHFFFAOYSA-N 428.566 1.732 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300990112 TUUYZVQWUQHASH-RTBURBONSA-N 433.553 1.592 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(C)(=O)=O)C1 1301556022 FBMFJALEQQBLIS-YJBOKZPZSA-N 434.518 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301578196 ZLCLZFCBRRZXID-HZPDHXFCSA-N 433.534 1.695 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)CCOC1 1303502860 AGQCKUOWMBHJPH-UGKGYDQZSA-N 448.568 1.160 30 10 IDEE CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1305315446 LASPGSXOSJWEAN-SDYXESRWSA-N 442.520 1.698 30 10 IDEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCN(C(=O)c2ccccc2)CC1 1318420881 FQXFTZKWBNLAQX-VXPUYCOJSA-N 425.489 1.459 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1358896101 XBJCNOGOZPKALZ-WIYYLYMNSA-N 436.560 1.473 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1358929920 KXRGJRLTHIHTKZ-XHSDSOJGSA-N 427.596 1.355 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1358930413 VBJJKMJCXWHEBG-QGZVFWFLSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358965011 MCYUNPAGGTZYJS-IAGOWNOFSA-N 437.591 1.686 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCCC1=O 1358981548 OCNNKVOZSXUHDC-UHFFFAOYSA-N 444.539 1.644 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(C)=O)nc1 1358999473 SCZWAANDKFQLPP-FPOVZHCZSA-N 436.516 1.867 30 10 IDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCS1(=O)=O 1359007036 SAQDNAWAJAQYEA-UHFFFAOYSA-N 426.546 1.932 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nccnc2C)CC1 1359045110 XGUAXYPSFJULCL-LJQANCHMSA-N 437.548 1.479 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359214931 PUKJSISFQZFXML-SFHVURJKSA-N 429.569 1.330 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O 1359279396 DSNBUWRZYFFVNX-JOCHJYFZSA-N 427.505 1.833 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(=O)OC)C1 1359300415 BDEWRGWPLBPOEA-MAUKXSAKSA-N 441.488 1.482 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCO[C@@H](C)C1 1359329546 MGHCFAYLXTXJMD-INIZCTEOSA-N 448.545 1.932 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1438910065 XDKLPPYNKHCXPE-MRXNPFEDSA-N 440.518 1.344 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)C1 1446245045 OUCANVCOELYRRS-AWEZNQCLSA-N 427.324 1.036 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCN([S@](C)(=N)=O)CC2)cc1OC 1455505404 QVKMIZZUUPEFOH-LJAQVGFWSA-N 426.539 1.960 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3c(Br)nc4n3CCOC4)CC2)c1C#N 1466921572 JYAOUYCDVWCYQL-UHFFFAOYSA-N 434.298 1.052 30 10 IDEE C#CC[C@H](COC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1470738021 GMPOCIGVOHJMDV-OAHLLOKOSA-N 428.470 1.837 30 10 IDEE CCCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1501040246 GPOZRMNWCYWFDM-FUHIMQAGSA-N 437.614 1.893 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1503927978 CIRVFQIDNJRXKZ-IFXJQAMLSA-N 436.513 1.672 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1504957520 KQQMHKMDZRRZAT-SJORKVTESA-N 439.582 1.957 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507553194 YTPRWOFBSMNPAW-UHFFFAOYSA-N 429.569 1.901 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507561384 PXLUBNGJVOTENY-DLBZAZTESA-N 434.566 1.037 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507564252 NUOZVBYXDOCMME-GOSISDBHSA-N 429.546 1.719 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507629516 NCWJBPMHVSMACZ-ROUUACIJSA-N 430.578 1.697 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(CC)(CC)OC)CC1 1507723697 QZWBDHMTJNGRDW-UHFFFAOYSA-N 428.537 1.966 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCCC2=O)CC1 1507732150 SYGJHRDBKGHIBP-FQEVSTJZSA-N 428.581 1.720 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](CC)N2CCCC2)CC1 1507741504 VNDMLQQNHNEKLZ-VQTJNVASSA-N 428.581 1.970 30 10 IDEE C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1507835441 AXKCYUBDIKOAJZ-UHFFFAOYSA-N 432.912 1.390 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1508160420 GHNWYHZFYFJQCG-MRXNPFEDSA-N 441.623 1.911 30 10 IDEE CC(C)OCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1509879868 SXCQHRSGWOLAEU-VZCXRCSSSA-N 445.568 1.475 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1509951624 HDAXXOYWQLBKRR-INIZCTEOSA-N 438.536 1.509 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCN2CCOCC2)CCOC1 1516178116 BVCCUOPZKSBOHI-QFIPXVFZSA-N 432.569 1.783 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 1516220682 FNJIYNQHLBVDRT-CNNODRBYSA-N 448.568 1.016 30 10 IDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(F)(F)Br)cn1 1517374996 BVCUQDSGSODWIO-CYBMUJFWSA-N 441.284 1.843 30 10 IDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(F)(F)Br)cn1 1517375013 BVCUQDSGSODWIO-ZDUSSCGKSA-N 441.284 1.843 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](n3cncn3)C(F)(F)F)C2=O)cc1 1531883497 XKJAOWCIYVLNGR-KBPBESRZSA-N 435.366 1.275 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-n3ccc(C(=O)OCC)n3)c(F)c2)C1=O 1534692540 BWVKSWKJRAPQGK-UHFFFAOYSA-N 443.391 1.103 30 10 IDEE C#C[C@@H]1COCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1535553052 PNIYIOXOICGYKS-GDBMZVCRSA-N 441.347 1.710 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)[C@H]1c1nccn1C 1536346411 NAHLMOINVNRTJM-FNHZYXHNSA-N 427.461 1.107 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1539178750 KBLZEHUAAUYKMA-SFHVURJKSA-N 433.534 1.150 30 10 IDEE N#Cc1ccc(OCC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1Br 1539209125 GBZALRVADKDTBQ-CYBMUJFWSA-N 442.277 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cnn(CCOC)c2)CC1 1539466523 AHCTXWXXVRNUOC-UHFFFAOYSA-N 427.553 1.433 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1539803765 NATMLHONOZWWDT-STQMWFEESA-N 439.916 1.845 30 10 IDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1540040202 OWMBMRVHYCWGLU-GOSISDBHSA-N 437.504 1.535 30 10 IDEE C#CCN(CC(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)OC(C)(C)C 1542664619 GGLRLASCJQNZAQ-UHFFFAOYSA-N 448.951 1.975 30 10 IDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCS(C)(=O)=O 1548188297 IFCVILPWDQWWNP-SFHVURJKSA-N 433.534 1.699 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOCC1 1556022249 CTBVXRDBLQBMKV-FMQUCBEESA-N 442.907 1.885 30 10 IDEE Cc1ccc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1556990765 MLMWMGYCYBDRDR-UHFFFAOYSA-N 442.497 1.548 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ncc(C(=O)OC)s3)CC2)cc1 1557543397 UNVNODHTHVUSAQ-UHFFFAOYSA-N 447.538 1.861 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 1565163984 SLMWXHFFZKMIBS-LJQANCHMSA-N 438.507 1.825 30 10 IDEE C#CCN(C(=O)c1cnn(C[C@@H](O)CO)c1)[C@H]1CCOc2ccc(Br)cc21 1565764037 AEJUFZYDLZPAOF-WBVHZDCISA-N 434.290 1.598 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1568492091 BDLDFKSPLPQDAJ-GOSISDBHSA-N 447.967 1.858 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCCOC)[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1583558217 FODKBWOIWQDZRY-INIZCTEOSA-N 435.550 1.742 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587662953 RZGKADFEKZIKKO-NVXWUHKLSA-N 439.486 1.861 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1587878559 AKTXJKWUGCOMQJ-FQEVSTJZSA-N 435.576 1.368 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nnc(C(F)F)o3)CC2)cc1 1588158765 ZISJVCXDIUXXEJ-UHFFFAOYSA-N 425.417 1.345 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccc(F)cc2)CC1 1588733264 PVNYGFQRPQHNMN-UHFFFAOYSA-N 428.512 1.780 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)COCCO2)CC1 1588836944 OUQQSQZRJHXNGM-JOCHJYFZSA-N 431.487 1.708 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588908136 KWZNBFBTWFFXOA-SFTDATJTSA-N 437.544 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOCC2CC2)CC1 1588923603 GHSHKZKLVPUUKS-UHFFFAOYSA-N 425.537 1.461 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1593768262 CJLGXNVCZKWMOP-UTKZUKDTSA-N 434.541 1.125 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC)C2)cc1 1595614208 PWELOXUEPPODBP-RTBURBONSA-N 427.505 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1595765846 HPELLCSNWITCSP-DLBZAZTESA-N 439.582 1.927 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1595844875 IYOXSWNESBHEKB-ZBFHGGJFSA-N 441.579 1.978 30 10 IDEE CS(=O)(=O)C1CCC(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1597906421 AERQWVJJOPYODN-UHFFFAOYSA-N 427.548 1.212 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1603004511 KCXCFXAKVDNRAK-QZTJIDSGSA-N 448.549 1.749 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2Cn2cncn2)s1 1617577988 XRPJKUHDHOATLZ-UHFFFAOYSA-N 431.543 1.711 30 10 IDEE 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C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCC1 1705626976 PNQVAGODMYVKHL-UHFFFAOYSA-N 432.550 1.239 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1706074786 DRUVOQFWJBDYSO-XSLAGTTESA-N 430.532 1.724 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1706075396 NEQJKZZLBPXSPJ-JTSKRJEESA-N 440.552 1.853 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1711317679 OYUCQIFQCQENNF-CVDCTZTESA-N 438.532 1.975 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)C1 1712876785 UPPZJPJJCWEVQJ-SMDDNHRTSA-N 425.408 1.549 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)CCO1 1712882649 FJIOIAQJCRNFDR-KRWDZBQOSA-N 446.471 1.683 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722307826 BCFCMENLXILFDT-SJORKVTESA-N 438.598 1.385 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)C 1722429249 OZVTVKSZAAWFDM-GUDVDZBRSA-N 438.594 1.717 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722461142 DGYLAONUMZCLEF-GOSISDBHSA-N 432.594 1.068 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722476329 QXPHQYPTADPOQK-DNVFCKCGSA-N 428.581 1.892 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1722688628 HSEAIFUVJGZFOC-LJQANCHMSA-N 433.516 1.819 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(Cn2ccnn2)CC1 1722693435 NTERRKOIIWOZBY-UHFFFAOYSA-N 436.520 1.764 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@@H]2C)C1 1722710085 CYXOKTTYOZMBEA-MWDXBVQZSA-N 427.571 1.342 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)COCCO2)C1 1722720633 NGZQSONVINUSLM-HRAATJIYSA-N 447.561 1.856 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1722864520 AXFNHMDIYRJJMJ-IWAYBZMOSA-N 439.549 1.818 30 10 IDEE CC(C)(C)NC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1722976350 VFDJLFKUDMITBF-MRXNPFEDSA-N 440.508 1.372 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCNC(C)=O)c2ccccc2c1=O 1728639993 JHTPYPOITYCRMK-OAHLLOKOSA-N 436.520 1.939 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)CCO1 1729680766 HVDFUPVUSFVZLW-IBGZPJMESA-N 434.504 1.134 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1729739870 VIMCHAIWCYMCNS-RCCFBDPRSA-N 430.534 1.085 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740567702 VAGDCRZDIWSQHA-UHFFFAOYSA-N 445.549 1.247 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740623766 AJXLQPBSKNNGNU-QGZVFWFLSA-N 449.602 1.566 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)cc2)CC1 1740696268 POPQLFHZRSRQKF-FQEVSTJZSA-N 427.574 1.487 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncnn2C(C)(C)C)CC1 1740701168 WYEISKVGKZPESR-HKUYNNGSSA-N 442.568 1.152 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740743723 CBYVKPGTZFXUIL-UONOGXRCSA-N 448.387 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(C)CC1 1740987737 YDICVDOKLQFDCA-HWOWSKLDSA-N 447.627 1.504 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H]1c1cnn(C)c1 1740992408 PFKIBGJBBQOVQC-WMZOPIPTSA-N 434.566 1.848 30 10 IDEE CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1741422160 CTIIGCAKBCUARF-GPMSIDNRSA-N 426.562 1.598 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCSCCCO 1741923612 WDQVMBZCCQYKPO-AWEZNQCLSA-N 430.600 1.134 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1742905238 BXXXXMUHSRYFBQ-FOGNVHKLSA-N 426.546 1.785 30 10 IDEE CCOCc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1747182975 JPAUIZIHBNJQLR-OAQYLSRUSA-N 449.515 1.676 30 10 IDEE CCS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1747421847 SERLWUVQXYDWBR-MSOLQXFVSA-N 429.518 1.195 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1748706945 WBVFSVPAFKFISV-FXAWDEMLSA-N 436.520 1.964 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1748730111 FBZMNJSRGOOZQF-CQSZACIVSA-N 449.437 1.844 30 10 IDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N(C)CC(=O)N1CCOCC1 1748757902 OQZZBLIIMILELI-UHFFFAOYSA-N 425.533 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1748903082 QCIFATLDHFIUNV-UHFFFAOYSA-N 439.491 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1749009296 OCPHSZZPTFDIOB-QFBILLFUSA-N 425.537 1.196 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCCC1 1749493301 AHROIGQKINVPNX-QGZVFWFLSA-N 426.587 1.109 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC1)C(C)C 1749556900 BVNAHYGSRXJUEB-OALUTQOASA-N 437.610 1.715 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2)CC1 1749650132 KTOREKKXDDIFDE-UHFFFAOYSA-N 437.548 1.533 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749655362 JDTNBJJRCGQMMT-QGZVFWFLSA-N 426.521 1.608 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1749668893 FZVBRKFNZKBMFU-XHSDSOJGSA-N 434.541 1.434 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C[S@@](C)=O)cc2)C1 1749707144 AOLNTNKFIPDALO-LAQJXLFFSA-N 443.573 1.937 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1751171444 HEKCRCQNIFYJAR-SIFCLUCFSA-N 433.534 1.226 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760095190 IHTBFHQNVKYQII-BZSNNMDCSA-N 442.543 1.318 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCOC1 1760101804 VJPAKOTZTBMCSP-XOBRGWDASA-N 432.550 1.156 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760178971 IAQBQHPTHZPJCO-QGZVFWFLSA-N 435.594 1.823 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1760191208 CXDOYPVVXOQLIU-IBGZPJMESA-N 442.589 1.979 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1760193661 LJPDAPJCTQJVQO-UHFFFAOYSA-N 434.548 1.024 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1760195671 IKKNLKKLZDNQHV-UHFFFAOYSA-N 439.426 1.830 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)c(O)c2)CC1 1760251845 JIJNHEZCVZIZLB-UHFFFAOYSA-N 447.499 1.443 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760276271 YLBGSIWXMBRKTB-INIZCTEOSA-N 435.531 1.843 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1760280522 GJAAVYHAYPJFGJ-KRWDZBQOSA-N 438.619 1.942 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760313784 QFADFRZUPOYQKP-ZJPYXAASSA-N 430.553 1.360 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760456162 IHGGVWDCFNUIKX-HUUCEWRRSA-N 449.585 1.011 30 10 IDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760506440 SFZAFSAVLTWMOG-INIZCTEOSA-N 448.568 1.128 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1760688260 DTTHBCZTKBILFR-LSDHHAIUSA-N 443.537 1.113 30 10 IDEE 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2267267564 XOQUMKMVMMBNLU-HOCLYGCPSA-N 449.357 1.594 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267482172 ZQGIDKOODFROKP-QFIPXVFZSA-N 447.341 1.483 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267541640 GWVOAYAABVXAPX-ASSNKEHSSA-N 447.345 1.101 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2267598309 YFZIZYBLDZKNOI-ZWKOTPCHSA-N 437.353 1.461 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2312855044 QOXSIQVXQVDYTJ-GUTXKFCHSA-N 432.330 1.694 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCC(N)=O)Cc2ccccc2)n1C 2315684982 QAGHQWGMWIYAJO-UHFFFAOYSA-N 426.326 1.546 30 10 IDEE C=CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OC)ccc21 13791837 XDUQZDLEPHNJSP-SXZOAGKDSA-N 437.543 1.774 30 10 IDEE CCC/C(C)=N/Nc1nc(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)n[nH]1 59890260 GRLFMZZCFXYNKE-DEDYPNTBSA-N 435.558 1.911 30 10 IDEE CCOc1ccc(/C=C\C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 206815226 IXCGCWLHLBPVAY-XGICHPGQSA-N 447.542 1.574 30 10 IDEE COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@@H](C)n2cnc(C#N)n2)c1 409687907 SBUZXCFGIZMHKJ-LLVKDONJSA-N 435.282 1.418 30 10 IDEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409884060 DPQGNVCPVHMQQT-CZUORRHYSA-N 428.294 1.882 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccnn2C)c(=O)n1CC(C)C 430967040 RFQXGDPOFFSNIF-UHFFFAOYSA-N 449.580 1.996 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)ccc1F 443074664 ABSOXWFXDBMURY-UHFFFAOYSA-N 435.861 1.747 30 10 IDEE CCc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 460277387 RLOWCOFGNYGWQI-UHFFFAOYSA-N 443.525 1.950 30 10 IDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472107985 JVBGYTHZHUZEMX-AWEZNQCLSA-N 435.506 1.220 30 10 IDEE CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(Br)c(F)c2)c1=O 477015385 XGRDHTYFPUXULL-UHFFFAOYSA-N 438.322 1.859 30 10 IDEE CCc1c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 503977484 AYMRBRLGXZJHRA-UHFFFAOYSA-N 429.480 1.996 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 508791564 BOYHDIXIYGULRX-FQEVSTJZSA-N 427.534 1.941 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccnn2C)CC1 521452589 SBMWIOKJAXATJW-SFHVURJKSA-N 449.581 1.305 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)CC1 522308432 NDJZQCCKAUJWFD-UHFFFAOYSA-N 448.571 1.774 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)CN3CCN(c4ccccn4)CC3)cc2C1=O 523999242 FYADFDBEHHGNMG-QGZVFWFLSA-N 433.512 1.804 30 10 IDEE CCC(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 531222553 HJXQPGGBYKSVLR-SFHVURJKSA-N 426.546 1.995 30 10 IDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 550091080 ZWIXFPZHFUHXJV-ROUUACIJSA-N 445.545 1.636 30 10 IDEE Cc1ccc(N2CCN(C(=O)C(/C=C3\C(=O)ONN3C)=NC(=O)c3ccccc3)CC2)cc1 585673872 VVNJMSMVTDAZNS-ZYYAGZCKSA-N 447.495 1.717 30 10 IDEE N#Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)c1 586054186 MNNPHJISAQJKRR-GOSISDBHSA-N 430.464 1.965 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)CCN1C1CC1 732647924 MOZUNEACEFSJFZ-GMQQQROESA-N 438.576 1.190 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@]2(C)CCOC2)C1=O 733077762 KRWWVBRWQOSMAK-AVRDEDQJSA-N 443.573 1.984 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2ccccc2O)c1 737250759 QTHARZWBHUFAHB-LYBHJNIJSA-N 444.513 1.502 30 10 IDEE C[C@@H](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742483475 SVXBGRUMAGVAEB-INIZCTEOSA-N 446.573 1.755 30 10 IDEE CN1C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)C12CCCCC2 754378929 IRJZAYAEBDYKPW-HNNXBMFYSA-N 433.509 1.555 30 10 IDEE O=C(NCC#CC(=O)N1CCOC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 757472278 WFJWZXLGPFXXEV-NRFANRHFSA-N 434.448 1.841 30 10 IDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 767698529 HRNRJRTVRSCXBS-OAHLLOKOSA-N 440.518 1.800 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771543976 URQOIZHYEZCKPO-HNNXBMFYSA-N 429.506 1.062 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780203693 DEWVWHDLPFDQBI-QFIPXVFZSA-N 435.480 1.864 30 10 IDEE CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 787503568 ZIOKZHUPOPJZCH-UHFFFAOYSA-N 449.555 1.637 30 10 IDEE CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CCN(c2cnccn2)CC1 789181273 FDUOBLJMKBGVSL-RDJZCZTQSA-N 429.525 1.846 30 10 IDEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 792746385 LRRZWRVQQSDRTR-MAUKXSAKSA-N 430.530 1.827 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@H]3CCCO3)c2=O)cn1 794580526 XAVXLLDIMHPWAQ-MRXNPFEDSA-N 426.542 1.894 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(Br)ccc2C(=O)OC)C1=O 801252438 WNGUADYFGYHMGH-UHFFFAOYSA-N 439.218 1.256 30 10 IDEE N#Cc1ccncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 805717848 ZJOZMEZZDBZHHO-NTUHNPAUSA-N 440.481 1.255 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cc1 808113464 HVHGXYHATCADGF-OAHLLOKOSA-N 445.497 1.975 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1 816291353 RRYVPPRHOSQKLO-UHFFFAOYSA-N 437.481 1.446 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 818823543 HWEWJCQTBFSIRD-JKSUJKDBSA-N 448.520 1.601 30 10 IDEE COc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1S(=O)(=O)N(C)C 916179107 KCELMZLJSNSUGB-UHFFFAOYSA-N 437.499 1.077 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1/N=C\c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1082567432 VLLQYXRHVIIXOF-QRYBAUDTSA-N 428.681 1.666 30 10 IDEE CCN(CC)c1c(C=NNc2nnc(SCC(N)=O)n2N)c(C)nn1-c1ccccc1 1084619106 UXVUDHDMPULWJH-UHFFFAOYSA-N 442.553 1.356 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ncccc2C(F)(F)F)c1=O 1116424695 MDJIJSHOJUYRPA-UHFFFAOYSA-N 437.443 1.842 30 10 IDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc(CCNS(C)(=O)=O)s1 1129264020 HYOWOMLKTGRCTA-UHFFFAOYSA-N 430.515 1.853 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)c1 1141716529 MASFRBNUSHHITN-UHFFFAOYSA-N 437.481 1.433 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 1143572898 BAKUBXYJMDCMNU-BEFAXECRSA-N 435.546 1.299 30 10 IDEE C#CCN1CCCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 1147290945 BLRUBIAPYGNNTD-UHFFFAOYSA-N 443.573 1.237 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OC[C@H]3CCCO3)CC2)s1 1171743376 BUNISHZNCAJNOW-MRXNPFEDSA-N 428.576 1.942 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1183153747 CYXCBFKHNPXCEG-UHFFFAOYSA-N 439.553 1.983 30 10 IDEE COC(=O)[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1198140917 QHJOLQSOZPZQTH-SJORKVTESA-N 428.489 1.427 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c(C#N)cn1CCOC 1216501863 GNHQOORMVBMCEU-AWEZNQCLSA-N 440.522 1.471 30 10 IDEE C#CCOCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1266570587 PMMBZVDTKZMBGU-DOTOQJQBSA-N 428.348 1.809 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286303052 XCXAARLPDRULNB-YIYXVTKBSA-N 445.483 1.713 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)OC)c1 1286310329 CTZVLAJRFUHZHD-DOTOQJQBSA-N 445.545 1.271 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286357649 XSHUICWDCYNBCT-GOSISDBHSA-N 435.525 1.928 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286384755 RRRWYCOKKVKHMA-KRWDZBQOSA-N 428.493 1.586 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286388659 TXUUWCZYHVEEGF-LSTHTHJFSA-N 439.541 1.868 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1286400371 DRPKEUQEWYNSKM-QHCPKHFHSA-N 427.549 1.652 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1286410001 QIJXFCOSTOWNLT-NRFANRHFSA-N 439.585 1.775 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1286509736 XFRPXTHSPGLDNB-JKSUJKDBSA-N 427.596 1.356 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1286567995 UESKRPZGYIVXGB-XQTRSNPVSA-N 433.553 1.613 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1 1286778691 DECSHGRIFZPXOU-DOTOQJQBSA-N 432.550 1.532 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1286783753 KRTLCTPOAIDFJT-MAUKXSAKSA-N 437.508 1.084 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1286820827 SKHHIVQOZFVSDH-SFHVURJKSA-N 449.581 1.181 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)N2CCOCC2)n1 1290646214 GWWTWPOJLCZXSQ-PMACEKPBSA-N 442.568 1.225 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1296329482 JHOSXKRAAJQAQC-IBGZPJMESA-N 442.545 1.681 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300499627 VRIBJKBHKRDBAC-KNQAVFIVSA-N 443.573 1.706 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C2CC2)CC1 1300683476 OIRZFDIADMMOOC-KRWDZBQOSA-N 440.523 1.839 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1300787615 MBJPNXPNTLHFIE-HUVFLSCGSA-N 444.624 1.948 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1301137631 UBYPYTPTBHPUHD-UHFFFAOYSA-N 426.587 1.537 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301483535 QGNDQPKKRRJJMX-FQEVSTJZSA-N 440.548 1.557 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301825636 TYRARTPJERRLQN-RJCBAWPRSA-N 427.509 1.177 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1302055771 WQAYCRLUNLVPST-BTYIYWSLSA-N 427.509 1.674 30 10 IDEE CS(=O)(=O)CCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1302455486 BEBIZBGPTOFDPR-UHFFFAOYSA-N 429.550 1.574 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1302468869 LBOKUDKLSYRXKY-IBGZPJMESA-N 439.488 1.511 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)cc1OC 1304148438 JORXDWPQCZNSNO-QKIRZYONSA-N 426.473 1.468 30 10 IDEE Cc1cc(C)n(-c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CCO[C@@H](C#N)C3)cn2)n1 1304731232 HNHWSYZZXZMCFM-SFHVURJKSA-N 449.519 1.391 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H](C)COC 1307924968 VAJVLHLRKMTGLX-MRXNPFEDSA-N 429.970 1.696 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(C(C)(C)C)no2)CCOC1 1314139635 IXJFBPMIIWCRCB-HRAATJIYSA-N 430.509 1.993 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1337635542 FJLXEGXJFMOQSV-MRXNPFEDSA-N 449.529 1.573 30 10 IDEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1358418890 FKYRYJKPTQMTCR-INIZCTEOSA-N 442.520 1.070 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1358936683 UPPDMUJZVWVENT-LJQANCHMSA-N 425.537 1.923 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359055306 ZUIQYJVHYBRLQH-UHFFFAOYSA-N 441.561 1.177 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359086589 BTOZKSDIBMUZLP-RDTXWAMCSA-N 440.342 1.693 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(C)C 1359240461 OVTSFBQWHOQVHV-IXDOHACOSA-N 427.571 1.294 30 10 IDEE C=CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)C1 1359337110 JXJZUKWZWRVOGK-UHFFFAOYSA-N 449.606 1.402 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@H]3C[C@@H]3CCCO3)C2=O)cc1 1439727983 MGGQGAHUYGFZJS-CEXWTWQISA-N 426.473 1.560 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3nscc3I)CC2)nc1 1442094545 NNJKBPJUOBGPEO-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1452868242 ZQIQFLQVRKVUGC-OPAMFIHVSA-N 449.507 1.660 30 10 IDEE C#CC[C@]1(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CCCN1C(=O)OC(C)(C)C 1453691114 OJPIVVZYHHHCHV-PKTZIBPZSA-N 449.548 1.256 30 10 IDEE Cn1cc([C@H]2C[S@@](=O)CCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)cn1 1463509647 GFSPDTGIXJDMJT-MYYSRTQBSA-N 443.348 1.549 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 1466063651 CGVGXMMFEUQNAK-AWEZNQCLSA-N 446.558 1.154 30 10 IDEE C#CCOc1ccccc1NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1466207559 QVWUOVXINKRRTI-UHFFFAOYSA-N 434.440 1.681 30 10 IDEE C[C@]1(C#N)CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1473663169 PQWZTHZGKCAMJV-GOSISDBHSA-N 426.926 1.535 30 10 IDEE CCN1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1502324575 QWJNOPKWQGRMTQ-BSBNDGSWSA-N 436.520 1.397 30 10 IDEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1502986777 AXBORQPKQREUCH-SFHVURJKSA-N 426.521 1.831 30 10 IDEE CN(Cc1ccoc1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503506583 SIFRZSGYMDKJSA-OSCRUYLVSA-N 426.477 1.928 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@H](C)O1 1504710422 AQTQGLQHJQORQB-OXJNMPFZSA-N 436.520 1.818 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CC1 1504887335 UPHSQCMZCDWFKY-SSEXGKCCSA-N 434.522 1.283 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccs2)c1 1507550236 IDWIEGBIACZHLE-INIZCTEOSA-N 435.513 1.790 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1507747783 YJEYLAIPDNZPKN-BEFAXECRSA-N 443.639 1.896 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1507753766 RIYPPELRQKQZGR-HZPDHXFCSA-N 449.602 1.876 30 10 IDEE C=CC[C@H](Cn1c(COCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1507928366 IXCYCXOKWKPBCJ-MOPGFXCFSA-N 438.532 1.322 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1508008982 SXICJNYJTBLSFV-KRWDZBQOSA-N 435.525 1.996 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1508090262 FTQMQPXVHNGGAD-KRWDZBQOSA-N 426.521 1.443 30 10 IDEE C[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1512535028 AKJRJOXGHTUORO-OWCLPIDISA-N 430.534 1.671 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1517626437 HDLKSRWYGOOKMX-UHFFFAOYSA-N 446.533 1.061 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1518818108 OQWWUKILCLRBMU-SFHVURJKSA-N 435.488 1.588 30 10 IDEE 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C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC(C)(C)[C@H]1C 1540907731 GSMKPLVQNNUTJW-IKGGRYGDSA-N 442.582 1.607 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H]1CCOC1 1545921460 UXWAFURVUMAYLF-APWZRJJASA-N 429.569 1.800 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1547771104 ICWMCIYNJYBVRU-UHFFFAOYSA-N 438.536 1.440 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccco2)N(C)C)CCOC1 1547917943 CRRFVBPIGMVBED-CBGDNZLLSA-N 430.509 1.555 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1555280294 FUZGDNKJIPHSSW-ZWKOTPCHSA-N 442.495 1.914 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1557539672 QHFJMJRJIPWDBD-HTAPYJJXSA-N 438.569 1.696 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1588139541 OUNQDIPEBBWVJJ-FXAWDEMLSA-N 440.525 1.831 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC(=O)N2)CC1 1588763617 ZQPOXDMUSSTNTM-MRXNPFEDSA-N 430.459 1.580 30 10 IDEE 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C=CCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1705893512 LHDDQRJUMVEIFH-JLMWRMLUSA-N 432.569 1.105 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(c2nccs2)CC1 1705905454 VQZGWYUTIZAFRB-UHFFFAOYSA-N 438.561 1.739 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N(C)C 1706808235 DZZUCHZSMMGSHX-JKSUJKDBSA-N 434.566 1.548 30 10 IDEE C[C@@H]1CCCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1708084628 CCLSPXRAVDWRMM-MOPGFXCFSA-N 429.569 1.641 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1708728611 ACVZENKIGBTMSZ-MRXNPFEDSA-N 433.410 1.317 30 10 IDEE Cn1ncc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)n1 1711282284 BNNHHOXYAIOOIO-OAQYLSRUSA-N 435.467 1.932 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1711338539 GSVDWEVJLXPLKG-QGZVFWFLSA-N 442.545 1.356 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1711460642 MREMLPGKZSKZEB-DNVCBOLYSA-N 437.456 1.827 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1722357517 GVCDWNSRXONRTO-HNNXBMFYSA-N 425.555 1.854 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1722382641 JBGGGWZKTUSBGZ-GOSISDBHSA-N 427.530 1.484 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN(CC)C(=O)OC(C)(C)C 1722418896 HEQWVLBETGVUAX-UHFFFAOYSA-N 448.568 1.857 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1722468245 HDGDOKVCKRESIB-YADHBBJMSA-N 427.505 1.945 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722535954 AQMBNZMZGNEVFS-FQEVSTJZSA-N 429.569 1.821 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1722635526 YWVFIEILZBYUML-RURFIKTLSA-N 430.509 1.467 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722689973 CCWOSCJAWOUFGC-HZPDHXFCSA-N 428.541 1.491 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722729627 RKFMVVKDSHDIKB-QFIPXVFZSA-N 443.573 1.495 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CC(=O)N(C)C)n1 1726132643 GWFVILCTZMHZDY-FQEVSTJZSA-N 448.531 1.678 30 10 IDEE CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729206218 CNPGMEJATYZQFM-UHFFFAOYSA-N 432.550 1.836 30 10 IDEE CN(C)CCN1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1729336895 COLWNIDTLPZEAD-JOCHJYFZSA-N 446.575 1.230 30 10 IDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740620489 PRFDYHYJCYZIHP-KRWDZBQOSA-N 439.541 1.891 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1740638558 NXFPRVNRHRQTAI-HRAATJIYSA-N 430.505 1.300 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740786882 ROWOMXMACBXHKZ-NRFANRHFSA-N 441.492 1.549 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1740940361 CNGMOLQZCCGIGU-GOSISDBHSA-N 436.520 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CO)CC1 1740991802 FCQISXSOBUPXSG-LJQANCHMSA-N 448.545 1.600 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1741073373 BBUKJROCAMLXCU-RXVVDRJESA-N 426.546 1.790 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1741291283 VUUVOGDOWHCCJG-SFHVURJKSA-N 437.548 1.940 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1[C@@H]1C[C@@H]1C 1741937280 AZHMFAPCGWIANN-SUNYJGFJSA-N 447.540 1.807 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1743333784 RBGHQSLNQLXKRU-KOFUXLBCSA-N 430.509 1.660 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn[nH]c1 1748650696 CMFNKHDYJOTWFZ-HNNXBMFYSA-N 427.534 1.619 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748684937 REHUOTUENYPTPI-LHSJRXKWSA-N 426.546 1.738 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCCc1ccccc1 1748770716 DBMBNUHWHSMVGR-HSZRJFAPSA-N 425.533 1.747 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)C(C)(C)C 1748948305 LNBCPPLWWYYSRW-SSEXGKCCSA-N 432.550 1.559 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCC(C)C)CC1 1749001274 OQXQGUGQZGHXFZ-UHFFFAOYSA-N 444.580 1.543 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1749117949 APHAVZFDQGHZNV-CPUCHLNUSA-N 436.538 1.420 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1749127101 JRPKBHIEYXOXQB-FOIQADDNSA-N 444.536 1.948 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1749598244 UIBSDCKECNHLHQ-HXUWFJFHSA-N 440.548 1.753 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCNC(=O)CC1 1749738502 NVHJVLICVQEORO-UHFFFAOYSA-N 442.545 1.277 30 10 IDEE CS(=O)(=O)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1750191345 IAGJWJDRNHSVPT-GOSISDBHSA-N 438.513 1.444 30 10 IDEE Cc1nccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1751805152 NPZMDGUVIJAWEJ-KSSFIOAISA-N 438.533 1.316 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1760145982 ZCRIKWSARFKCJI-KGLIPLIRSA-N 437.488 1.849 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1760211364 GJVNBJPPPVLTAR-NQIIRXRSSA-N 434.562 1.216 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(S(=O)(=O)NC)c1 1760246147 LHWXQQOLWKYXOB-UHFFFAOYSA-N 428.518 1.316 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccncc2Cl)CC1 1760256727 JNLOLVRRTHXHNL-NRFANRHFSA-N 430.940 1.782 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1760290943 UXPQWRQABRVWGY-DUXKGJEZSA-N 436.578 1.747 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 1760402893 XTIXEDURAOLVCG-SFHVURJKSA-N 429.546 1.730 30 10 IDEE C=CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760434876 PJUOUTKQOUFVBE-HNNXBMFYSA-N 444.923 1.720 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1760490233 SCEKHRZZPIYVKA-IPMKNSEASA-N 427.553 1.657 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760519863 RXTKQANSSVSSER-NRFANRHFSA-N 437.592 1.852 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCCC(=O)NC 1760522141 MLFKWGZIKHESSM-KRWDZBQOSA-N 428.493 1.055 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1760524354 WASOUEJNWQGWSV-INIZCTEOSA-N 448.568 1.968 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760680721 PPTUWUIMJGOLHJ-QGZVFWFLSA-N 441.511 1.646 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1760818423 PHTJVHIZQVYJGU-QFIPXVFZSA-N 427.505 1.885 30 10 IDEE C[C@@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1761509170 HESOLAMGFAAFCJ-QVKFZJNVSA-N 444.923 1.804 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1762700622 PVCDWUNRLYTPQL-ZHRRBRCNSA-N 440.504 1.201 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1762809711 FHUDPTOIDSDLQK-NRFANRHFSA-N 428.541 1.899 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1766932852 PXJCMHGXVGXZSP-UHFFFAOYSA-N 427.553 1.746 30 10 IDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772791228 PUFBXJQHZTVSJN-BBRMVZONSA-N 431.489 1.967 30 10 IDEE Cn1ncc(N2CCC[C@H](C(=O)N3CCC(COc4cccc(C#N)n4)CC3)C2)cc1=O 1849307988 RJTCPOIFQDITCO-SFHVURJKSA-N 436.516 1.581 30 10 IDEE CCN1C(=O)CN(CC(=O)N(c2ccc(OC)cc2)c2nccc(N(C)C)c2C#N)C1=O 1853160595 TVFULDOKUSFNTB-UHFFFAOYSA-N 436.472 1.977 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCOC3)C(=O)C23CCCC3)cc1 1856280607 PPJUJNQATRTINN-KRWDZBQOSA-N 431.514 1.657 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)CNS(=O)(=O)c2ccccc2C#N)cc1C 1858029168 LTXJZNNSTHQADE-KRWDZBQOSA-N 437.543 1.135 30 10 IDEE COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2C#N)C1 1858319352 HLFVAFLWJMUJSD-KRWDZBQOSA-N 449.554 1.925 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCn1ccnc1 1870524877 SCJXEKOLZDQSQT-UHFFFAOYSA-N 443.548 1.451 30 10 IDEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870962126 BHNVCRAMVWSQFP-HNNXBMFYSA-N 448.545 1.587 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871690815 NWIKAGOYVISGDF-UHFFFAOYSA-N 430.509 1.075 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600778 VZLPMYPDQDKYIZ-UHFFFAOYSA-N 441.919 1.841 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 1880104823 OEHFOOXPITUABR-LSDHHAIUSA-N 448.329 1.787 30 10 IDEE Cc1csc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1C#CCCO 2100791625 QKXBQCSRHHQVMT-UHFFFAOYSA-N 432.523 1.506 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]21 2124532925 AHOWKZQTKSQXHD-SOUVJXGZSA-N 446.313 1.349 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2243677313 USEMDDLNEUCLBG-CYBMUJFWSA-N 426.344 1.549 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247908204 PEWXLRAOMASACP-OLZOCXBDSA-N 439.343 1.152 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405795 WYFVKUUXCASYKO-SMDDNHRTSA-N 441.359 1.333 30 10 IDEE Cn1ncc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255544699 DGSOLLIRKJKGFJ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2255644402 IVFNLCUTOIGKJZ-YEJXKQKISA-N 432.330 1.459 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255842142 NGAGKUHHLMUVEQ-CHWSQXEVSA-N 435.334 1.290 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256624898 YWAHUEAJLXSVHJ-SMDDNHRTSA-N 439.293 1.733 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2256625565 YOEMVLGNDFXEJX-KRWDZBQOSA-N 432.326 1.714 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 2267181511 TUARRDCDTLHWNN-HZPDHXFCSA-N 447.341 1.399 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267274495 BAVFJONACFUYHM-ZIAGYGMSSA-N 447.345 1.196 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2C(=O)C#CB1OC(C)(C)C(C)(C)O1 2267579180 OSWQLCUVJDYWDK-UHFFFAOYSA-N 447.341 1.349 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268700167 JZQUCPRWHGAWPO-AWEZNQCLSA-N 448.329 1.478 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2303326128 RYPGPNXBXFDZCN-XQQFMLRXSA-N 425.345 1.981 30 10 IDEE C#CCn1ncc(N[C@]23CO[C@H](C2)[C@H](NC(=O)OC(C)(C)C)C3)c(Br)c1=O 2359248352 MWJXVGVOTAHAIK-BVRBVLIYSA-N 439.310 1.876 30 10 IDEE CS(=O)(=O)C1(C#C[C@@]2(OCCC(=O)O)CCN(C(=O)OCc3ccccc3)C2)CC1 2367795679 FZTPIIKLVUQZSA-HXUWFJFHSA-N 435.498 1.840 30 10 IDEE CS(=O)(=O)C1(C#C[C@H](N)[C@H](O)c2cc(Br)c(Br)o2)CC1 2367825280 PDHWBWWNTCPGBK-WPRPVWTQSA-N 427.114 1.746 30 10 IDEE COC(=O)c1ccc(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)cc1 59461645 XHMMYQAJFLSRMO-QNGOZBTKSA-N 426.414 1.639 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(C)cc3)n[nH]2)cn1 59886728 UDMPNIPKCBRLML-UFFVCSGVSA-N 428.522 1.811 30 10 IDEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2c1 248036181 YZOOXJPJHLYELR-UHFFFAOYSA-N 442.472 1.841 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 461147689 CLCIGUFNVOCVKE-RTWAWAEBSA-N 449.559 1.739 30 10 IDEE C=CCOc1ccccc1CN(C(=O)c1cn(CC(N)=O)nn1)c1ccc2c(c1)OCO2 463751585 GZELKNSFXBXBKZ-UHFFFAOYSA-N 435.440 1.904 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCC(=O)NC3CCCCC3)ccc21 471078855 MKJYRCMIRJDWBD-UHFFFAOYSA-N 439.516 1.773 30 10 IDEE COC(=O)CC1(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCS(=O)(=O)CC1 474462122 YLOGEXYCGGYENG-UHFFFAOYSA-N 449.529 1.340 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508886200 YABLLHAWRNRLGC-HNNXBMFYSA-N 437.953 1.918 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 515397455 UIWLTMHZRSIHCY-SFHVURJKSA-N 429.546 1.926 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C(N)=O)cc1 522535605 CNXCQORBMHOZAN-UHFFFAOYSA-N 429.501 1.870 30 10 IDEE N#CC1(NC(=O)CN2CCN(CC(=O)NC3(C#N)CCC3)C3(CCCCC3)C2)CCC1 527128664 PLWYTDNUGLFEHR-UHFFFAOYSA-N 426.565 1.432 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC1)C2 533783030 ZGSBSHBTKXDWAP-PMACEKPBSA-N 430.574 1.242 30 10 IDEE COc1cc(C#N)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 545294572 CPBVRHJBRCJXRD-UHFFFAOYSA-N 425.470 1.977 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CC#CCN1CCOC[C@@H]1c1c(C)nn(C)c1C 551396196 RWVMWTWUQLQVLD-FGZHOGPDSA-N 440.592 1.837 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1 552609708 OSPBXCWGTKHWQK-INIZCTEOSA-N 445.463 1.780 30 10 IDEE CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(C#N)n2)CC1 555325286 BDTNDZYLEFSENP-UHFFFAOYSA-N 438.536 1.534 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 561544522 RFCUFFWAKGSDID-NSHDSACASA-N 436.353 1.365 30 10 IDEE Cc1cc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)n2ncnc2n1 582377228 YDYUWUVIVFVURZ-QGZVFWFLSA-N 434.479 1.619 30 10 IDEE C[C@@H](c1cccc(F)c1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 584023723 AISITXDRNDHYII-INIZCTEOSA-N 430.505 1.881 30 10 IDEE COCCN(CCC#N)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 589431494 DWOVHRPYEKIXPE-PQWGXEMDSA-N 433.508 1.854 30 10 IDEE CN(C)c1cnn(C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)c1 590403524 WZDVXFBZECOJAQ-UHFFFAOYSA-N 430.534 1.618 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 608793745 HXMPSAVPCRXMRB-GOSISDBHSA-N 443.552 1.198 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(Cl)c2)c1=O 623010642 PCDPGLBKWBFBIN-UHFFFAOYSA-N 429.929 1.524 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn4ccccc34)c2=O)cn1 729672546 UBSZJBVVCBYOPP-UHFFFAOYSA-N 444.520 1.635 30 10 IDEE O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCN/C(O)=C1/N=CC=CC1=O 731886706 CNDJEQGMOUPMBK-VXPUYCOJSA-N 429.521 1.287 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 741453397 SZUVKWWMCKBTFN-GOSISDBHSA-N 433.578 1.521 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCCN1Cc1ccccc1 742484165 BATDDAISLOUELN-SFHVURJKSA-N 426.542 1.896 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 746159039 DULZBCYRGMRZJL-FMQUCBEESA-N 430.892 1.931 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)/C=C\c2ccncn2)CC1 754918162 DCDFFUFKGDJWDJ-ARJAWSKDSA-N 434.412 1.501 30 10 IDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 761161076 RCXFSKYVTIEUOS-MRXNPFEDSA-N 439.520 1.155 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(-c3ccc(F)cc3)c2=O)c1 763437599 ZQQHAGWMJOZGQX-UHFFFAOYSA-N 448.479 1.789 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc[nH]n1 772659312 OUGIMZZPRULGTC-KBPBESRZSA-N 437.497 1.455 30 10 IDEE C#CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 775381850 DURSGJJOZIJVAP-GFCCVEGCSA-N 429.292 1.890 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3)c2=O)c(C)n1 781654402 FCKINISPPWXVQC-UHFFFAOYSA-N 448.548 1.947 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCCN1CCN(S(=O)(=O)C2CC2)CC1 788038797 DZOPFACYHMFVGZ-HXUWFJFHSA-N 435.546 1.615 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 797769434 CRYFRQXICPURNJ-GHTZIAJQSA-N 430.482 1.590 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 813795219 HFFQEALIHFFBDI-SFHVURJKSA-N 449.596 1.938 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)ccc1F 918628628 KOYRPKSKFKJSDI-UHFFFAOYSA-N 433.509 1.848 30 10 IDEE N[C@H]1CCCC[C@@H]1N/C(=N/Cc1ccc2c(c1)OCO2)Nc1ccc(S(N)(=O)=O)cc1 1088685055 FFZXOEMMJNDYIJ-ROUUACIJSA-N 445.545 1.890 30 10 IDEE C=CC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)O 1116921468 BMESVFUMCVIDPB-ZIAGYGMSSA-N 431.308 1.748 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(-n3nnnc3C)cc2)c1 1125488907 FQWVNLPFMMXVBK-UHFFFAOYSA-N 430.468 1.458 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1125629834 KBYCZDIFNCGMLP-HNNXBMFYSA-N 428.489 1.456 30 10 IDEE COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1141456762 FQKKYWPAMNPULW-NRFANRHFSA-N 427.482 1.180 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@@H]3C(=O)Nc4ccc(Br)cc43)C2)c(=O)nc1O 1159489397 DIBMIIXFKDXMBR-ZDUSSCGKSA-N 444.245 1.092 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC#C)CC1 1286355687 WYIAPAFQFNIVSW-UHFFFAOYSA-N 445.615 1.811 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1286390684 DUXPZCUOEPXZJW-OAHLLOKOSA-N 439.607 1.169 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286606760 ZYGLAXBRWJIYQS-CQSZACIVSA-N 448.465 1.844 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286819635 QQDIQDSZDOFCHW-UHFFFAOYSA-N 427.534 1.350 30 10 IDEE CC(C)(C)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1287013641 DDJWSWXJBDXWCW-MMYRVIJDSA-N 441.536 1.628 30 10 IDEE CCn1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1295949566 JEKSZPPLJHOQDQ-KRWDZBQOSA-N 425.518 1.593 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)CC1 1297516833 LSTSVNKEEPWDIE-IBGZPJMESA-N 434.581 1.744 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1297716572 GFEXNQRJHBKPQN-WOJBJXKFSA-N 439.582 1.883 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300286186 FLEDDRWXSQGVOM-FHWLQOOXSA-N 449.563 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1300716720 PSWOCTQGPKYBGK-FHWLQOOXSA-N 447.580 1.783 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(N(C)C)CCSC2)CC1 1300725005 FIUSEHMVCFZVHL-QFIPXVFZSA-N 432.638 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN(C)CC(F)(F)F)CC1 1300726868 SGRCIXRKCDJNAG-UHFFFAOYSA-N 428.503 1.937 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C2CC2)CC1 1300903215 FHKNFYJLFZYMEA-HXUWFJFHSA-N 438.532 1.973 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2(=O)=O)CC1 1301125939 RAXGGYIFNAKCJZ-DLBZAZTESA-N 442.607 1.550 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1301447825 BMNGSJUFZKFNLT-NYHFZMIOSA-N 439.520 1.575 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(Cl)ccc2C1 1301510392 WOWRJNUJEGNHTD-UHFFFAOYSA-N 428.924 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301586081 QBEDYCRVAUNIRY-SFHVURJKSA-N 435.594 1.889 30 10 IDEE CC(C)(C)c1csc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)n1 1302041037 CAGUQZRMQWCGTR-KBPBESRZSA-N 429.550 1.955 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1303933245 HRFYLHTXXYOFQT-MGPUTAFESA-N 434.566 1.369 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1305447989 ZJPQSAKUMZCKRQ-UHFFFAOYSA-N 433.530 1.681 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306533763 CQWMMDNNBWJXOZ-VGOFRKELSA-N 438.536 1.374 30 10 IDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1309648792 BOYSBGXYXHBECP-SNVBAGLBSA-N 437.255 1.130 30 10 IDEE CCOCCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1314493330 HHJUFNYXUQBBTN-HNENSFHCSA-N 445.568 1.261 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1315035586 RONIIDJSDPHMKS-VZCXRCSSSA-N 437.504 1.352 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1316191359 UQTKIXVOVDLQFK-VQIMIIECSA-N 439.582 1.957 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1358876918 SYWBCPULKIKGEN-GFCCVEGCSA-N 441.355 1.529 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1358885419 JSPLNLDPILPIOF-OAHLLOKOSA-N 433.516 1.709 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)n(C)c1=O 1359026463 YVXMSHFRWBEHOH-UHFFFAOYSA-N 426.546 1.775 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359059876 DBPJHFOEGBNPHA-GOSISDBHSA-N 429.546 1.217 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](COCC)C1 1359296747 SQTQYABNKVBJPG-INIZCTEOSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1359297938 HHCMUKLNCLVLQI-SJORKVTESA-N 442.568 1.502 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1359299574 ISQWFKJJNSPZMS-OALUTQOASA-N 442.568 1.599 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1360262203 CEOBRJDTPJGCQG-UHFFFAOYSA-N 444.561 1.745 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cc2c(cc1OCC)C[C@@H](C)O2)c1cc[nH]n1 1443099660 FSOSFMSQDXEQBV-CYBMUJFWSA-N 430.461 1.732 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)cc1 1450418079 FZPLPRSUAASTDI-UHFFFAOYSA-N 430.461 1.266 30 10 IDEE COc1ccc2c(C)c(CCC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c(=O)oc2c1 1457197363 FQFBQHCAAOGGSX-UHFFFAOYSA-N 436.424 1.260 30 10 IDEE CN1CCN(CCCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1464075366 XHUAJMXHZGBNQD-UHFFFAOYSA-N 434.382 1.901 30 10 IDEE C#CCN(C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)C1CSC1 1467524380 SQCGYEJPHVWWDH-UHFFFAOYSA-N 434.566 1.934 30 10 IDEE O=C(CS(=O)(=O)c1cccc(Br)c1)NCc1ccc(C(=O)NO)cc1 1467528040 LPKDLXJFGIBNGA-UHFFFAOYSA-N 427.276 1.658 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1469547510 XRHOPVDCFZYMDM-UCLAIMLFSA-N 448.570 1.385 30 10 IDEE COc1ccccc1C[C@](C)(CO)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478567140 GWYKRTRETKJSMX-HYBUGGRVSA-N 436.512 1.961 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1503605420 LZMIDSNRYPGAIK-SFHVURJKSA-N 449.533 1.015 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCn2cc(CO)nn2)c1 1507549842 ABZJVBUMVPOEEX-UHFFFAOYSA-N 434.504 1.386 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507632043 INNLIOQRXWBOIT-OLZOCXBDSA-N 433.456 1.198 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507634386 KEHUURLWTZDYLA-RTBURBONSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1507638121 OSUYFHOOSRFDEF-RBUKOAKNSA-N 430.530 1.297 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)c1 1507658140 DDFIBWBKDDTLMV-UHFFFAOYSA-N 434.544 1.764 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@@H]1C 1507752234 UUFAFNGALFCVEW-HNNXBMFYSA-N 434.591 1.830 30 10 IDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507881662 SUKAJIWPIXYXGH-MXLIYFDZSA-N 430.509 1.685 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1508071842 MVCPMFZOUJAOMZ-LPHOPBHVSA-N 445.524 1.245 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(OC)cc2C1 1508079893 GSUPGNFRFJIKFJ-UHFFFAOYSA-N 437.504 1.561 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508093808 CWFSWEWBLTXNIY-SFHVURJKSA-N 438.532 1.403 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)C1 1508126288 RFZDDDDEFHCCSZ-ROUUACIJSA-N 445.545 1.109 30 10 IDEE CC(C)(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1510284850 GRDOHEMFXWFNFN-HSZRJFAPSA-N 437.548 1.969 30 10 IDEE Cc1n[nH]cc1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1510438691 BXFACUDMSRLUJZ-SFHVURJKSA-N 434.504 1.705 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1512427508 USBSFXAHWKWFED-APFMSCDFSA-N 435.488 1.138 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1512645633 RBUWQCVBQHOQBE-MBSDFSHPSA-N 435.532 1.790 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCOCCS(C)(=O)=O 1539025427 IGRQPBDKTIBNKS-KRWDZBQOSA-N 429.546 1.800 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539065572 ILNSQLCNSMBXJA-MRXNPFEDSA-N 426.481 1.979 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1539178334 GUZHNSFRDOXDCU-SFHVURJKSA-N 433.534 1.046 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1539210097 AQBBZLQXHIZBPD-HBIPHATFSA-N 438.550 1.480 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539212116 RVTBNWGZXJZLGG-MSOLQXFVSA-N 429.546 1.926 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539230181 CGTPCJQCKLSYRV-JENIJYKNSA-N 447.561 1.652 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1539285795 QCTFOZXHURRWLL-UHFFFAOYSA-N 447.568 1.987 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1539362241 UINNKAHGHIXLCB-UHFFFAOYSA-N 431.460 1.207 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOC(F)(F)F)CC1 1539429689 BMYKMEGFSFEHQC-SFHVURJKSA-N 431.459 1.612 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCO[C@H](C)C2)CC1 1539446486 DJAIEVDCHKKFOX-NHCUHLMSSA-N 430.597 1.428 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1539499341 IXEIWYKDGKGJNM-INIZCTEOSA-N 447.586 1.417 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1539511193 UJOFBYRIXKBKCC-INIZCTEOSA-N 446.577 1.529 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539513213 LXAFEXYOAMVZLP-UHFFFAOYSA-N 443.577 1.120 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540862151 SSOMWHDHTOJDPQ-GOSISDBHSA-N 442.568 1.845 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCNC(=O)CC1 1540906993 ITQQQJFHQRMGTB-UHFFFAOYSA-N 433.534 1.093 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541115771 FEABHNXJJJVRJZ-WBVHZDCISA-N 432.550 1.676 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(C)CN(C)C1=O 1541684885 LIISVWYNULKNBN-IEGUWTFLSA-N 435.532 1.638 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)CCCO2 1541928210 XWGODWCLHSUWRP-VBKZILBWSA-N 448.524 1.704 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)C1 1541990804 NOGUEKZQCFBYNG-FUHIMQAGSA-N 437.566 1.506 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)s1 1543066235 BAKCOPRRFUKFGY-CQSZACIVSA-N 435.575 1.699 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)c1 1544858615 DAFVOBAQGGNLJN-UHFFFAOYSA-N 448.566 1.843 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1545129039 DEJYDRYTSYJKND-STGLLQLASA-N 427.534 1.752 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1554790858 AHTJXNBNJWDLRO-GCKMJXCFSA-N 431.468 1.944 30 10 IDEE CSc1ncc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1-c1ccc(F)cc1 1558805168 GKMHSUMMHRQICI-UHFFFAOYSA-N 426.433 1.564 30 10 IDEE C[C@@H](CC(=O)Nc1ccc(CN2CCOCC2)cn1)/N=C1/NS(=O)(=O)c2ccccc21 1558961314 XPXFBBXBUZONBW-HNNXBMFYSA-N 443.529 1.370 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4c(O)ncnc4C3)CC2)cc1 1567567603 GGRSPGPHPLHWPI-UHFFFAOYSA-N 427.486 1.039 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1587554902 AAMXMKZFXCLXEM-MSOLQXFVSA-N 425.537 1.740 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1588029061 DACCBIPZROTBST-DLBZAZTESA-N 430.578 1.661 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1588314808 RKPVWGADHXQRLD-SSEXGKCCSA-N 426.546 1.903 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCCCC2=O)CC1 1588969273 ZMLBYAKUHCXLPG-UHFFFAOYSA-N 430.553 1.183 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589528034 CJJZDKAFLBVCDW-JZXOWHBKSA-N 432.550 1.730 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3ccco3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595603079 XEQNLGVYEZTJJF-XMSQKQJNSA-N 445.520 1.792 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1598136716 FTMOTIKGVDKAPX-UHFFFAOYSA-N 446.519 1.101 30 10 IDEE N#Cc1cn(CCC(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)c(=O)nc1O 1607790896 AVPWLXRODJUKAJ-UHFFFAOYSA-N 426.864 1.468 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1618846990 FLJXDNCDCZTQHY-IBGZPJMESA-N 436.513 1.675 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)cc1 1620352555 UCASCFSENBFLMF-HKUYNNGSSA-N 440.504 1.236 30 10 IDEE C#CCN1CCC(NC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CC1 1629730723 HCYZKZUPNAWKPQ-HXUWFJFHSA-N 428.533 1.257 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)CCc1nccc(C(F)(F)F)n1)c1cc[nH]n1 1637043862 LOHWKDAYELHZPG-UHFFFAOYSA-N 428.371 1.203 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)s1 1639905304 VXJLRZJKHAFEID-GFCCVEGCSA-N 431.536 1.422 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C[C@H]4CCCS4(=O)=O)CC3)n[nH]2)c1C 1642015371 KXXIALBNSWEOEI-QGZVFWFLSA-N 446.577 1.411 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)COc3ccc(C)cc3)CC2)c1 1644515012 ILASEGDEKYRDSV-UHFFFAOYSA-N 434.496 1.848 30 10 IDEE N#C[C@@]12CN(Cc3nc(-c4ccc(Br)s4)no3)C[C@H]1CS(=O)(=O)C2 1648416040 SUJANZYNTXIELO-XPTSAGLGSA-N 429.321 1.931 30 10 IDEE C#C[C@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1 1654036350 ALJWBEBLWWICMO-SFHVURJKSA-N 449.573 1.778 30 10 IDEE CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(C)C)cc1 1682886528 SNLKUEQORLUYSI-CUWPLCDZSA-N 434.562 1.656 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1689978089 LSQYBWSOXYVQRQ-MRXNPFEDSA-N 444.561 1.988 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689985835 CIXWKGLHYMALDF-LJQANCHMSA-N 428.562 1.451 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(=O)(=O)CC)CC1 1690111955 NGBOEYVUJILAFR-QGZVFWFLSA-N 449.552 1.747 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC[S@@](=O)CC)CC1 1690114608 AHOVBVINUPNJFN-HKBQPEDESA-N 437.573 1.859 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOC(F)(F)F)CC1 1690144194 PBSSCPPCRXYMMM-UHFFFAOYSA-N 437.426 1.627 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOCC(F)(F)C(F)F)CC1 1690364675 VJYROBZIHAASTH-LBPRGKRZSA-N 443.467 1.962 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1690642470 QPCGOMBHIPXSLO-HUUCEWRRSA-N 430.513 1.218 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690726547 DDPSLOXXBPMSCT-KRWDZBQOSA-N 431.562 1.331 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690749948 UZKWJXOZQGUYLD-SFHVURJKSA-N 434.610 1.621 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccccc1 1692779029 AWHIZMYTHUXXPM-JVPBZIDWSA-N 436.513 1.238 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cccnc2)CC1 1698311723 FVNDTOSHHANNTA-UHFFFAOYSA-N 437.529 1.536 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)o1 1698488088 JSDNBEMOWWVWNM-CHWSQXEVSA-N 438.410 1.800 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCOCC1 1705544823 FGZSPWJABGDEHC-UHFFFAOYSA-N 447.561 1.196 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705706145 QHTJYROJCOIYJF-CDXJDZJCSA-N 430.553 1.439 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1705886989 JXGFPQIMAMJRDI-CHWSQXEVSA-N 425.515 1.159 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705899945 LNZSSLYYXSMIKB-MJGOQNOKSA-N 425.537 1.189 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)C1 1705934216 FLLFTJAELZEDGY-UHFFFAOYSA-N 442.501 1.137 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1705946818 RRZUXGYNUJXZFB-IXDOHACOSA-N 441.623 1.909 30 10 IDEE CC(C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706635428 NJCYJWDJANMTQX-SFHVURJKSA-N 439.520 1.969 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1 1710856609 AUWQPYZFQSKAIA-HNNXBMFYSA-N 428.522 1.368 30 10 IDEE CN(C)CCN1CCC(Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1711013208 DHWOFPCHMXAGAG-QHCPKHFHSA-N 440.571 1.979 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1711052093 ICJNBCLHFDJXKT-UHFFFAOYSA-N 433.463 1.549 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1711264798 DAKOXLFASIEELK-UHFFFAOYSA-N 429.506 1.315 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)C1=O 1711270510 KXPCNZDKSRQJKS-HSZRJFAPSA-N 435.532 1.777 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CC2)cc1OC 1711774180 AFSVQXIFMRDZQW-FOGNVHKLSA-N 431.518 1.602 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)OC 1712557420 QXRXHXDBBLXATL-DLBZAZTESA-N 429.525 1.630 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1712615000 BYUBTXIHONSIKD-LJQANCHMSA-N 426.521 1.832 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN(C)S(=O)(=O)CC 1722297659 LZXRACSSIDLKQF-QGZVFWFLSA-N 443.577 1.646 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2cccnc12 1722429268 PCADFXHTORMOSV-IBGZPJMESA-N 439.541 1.863 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccnc2OC)CC1 1722447682 LWOVQLNEMVVLQZ-IBGZPJMESA-N 438.532 1.937 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1722467454 SPDJAEGGEUGMGT-NPFVIJTESA-N 443.573 1.714 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)F 1722473648 GORKRHPHTDTDOS-RDTXWAMCSA-N 447.508 1.232 30 10 IDEE C=C(C)Cn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1722524212 UUGCESWKZVAMKW-KFWWJZLASA-N 425.555 1.543 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(OC)c2)CC1 1722566609 VMZJEQBMVIHQEM-IBGZPJMESA-N 447.561 1.824 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)nn2C)CC1 1722581120 HMOCVGLHKXBUSH-SFHVURJKSA-N 449.581 1.104 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1722609110 SHTVJCLJTCTKEA-KBPBESRZSA-N 438.520 1.927 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC(C)CC1 1722681296 JEBPFHZHDQHGKT-GOSISDBHSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722696236 GCLGFTUZBWYRMT-QGZVFWFLSA-N 439.476 1.525 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC(F)(F)CO1 1723597471 QMZXQWMESOMKFX-CQSZACIVSA-N 447.446 1.375 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1723678152 CQBZIPSQQRXDES-FXAWDEMLSA-N 449.533 1.455 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1=CCCOC1 1729066281 YTSCAQMSSLYKQA-UHFFFAOYSA-N 426.525 1.402 30 10 IDEE CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1731051447 DZGMDDDAJYCVSE-UHFFFAOYSA-N 427.534 1.847 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)C1 1731178026 CFOXLEMJWJLWEF-OAQYLSRUSA-N 431.516 1.795 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1740552978 PQFZFXCBURXFKA-GXTWGEPZSA-N 425.461 1.683 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1740640333 KYGHFWUHVJAGDJ-IBGZPJMESA-N 442.541 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCN2CCOC(C)(C)C2)CC1 1740702368 MUINSTFQDPCGTP-SFHVURJKSA-N 430.597 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2CCC)CC1 1740709425 GKCVGWLJYXFMJK-VQTJNVASSA-N 428.581 1.970 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740720310 UMHSJXYCUQHYBH-UHFFFAOYSA-N 448.593 1.824 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCS2(=O)=O)CC1 1740818551 MTYLCSJSLBATEI-UHFFFAOYSA-N 431.522 1.117 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740885307 DCXHDQYGAUSPIQ-KRWDZBQOSA-N 441.598 1.625 30 10 IDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1740942099 BQDFGQLCEMTXFX-SFHVURJKSA-N 436.582 1.603 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740988811 QCGJYUJHCDZPHQ-SJLPKXTDSA-N 445.545 1.269 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1741002791 LSVPQUDAGKNUCX-CVEARBPZSA-N 427.596 1.204 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1741131759 HMDRGELFOXFLRR-CVEARBPZSA-N 436.582 1.567 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccc(C#N)cc1 1748297023 JDIGMUMRJBSHLV-UHFFFAOYSA-N 445.574 1.691 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@@H]1C 1748346315 YPOQNAQFVSKRHW-INIZCTEOSA-N 449.519 1.855 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748803536 VXJIINIFMITEEN-SCTDSRPQSA-N 429.496 1.555 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748809147 JRDMQKQTAGDEOZ-QUCCMNQESA-N 427.574 1.914 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1748868537 YRRSLULAXXQDCN-XMMPIXPASA-N 435.528 1.929 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1748917261 SFBIWPPFZUJDPI-INIZCTEOSA-N 440.533 1.205 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccn(C)n1 1748962273 DDTUQHTYZNIGIA-UHFFFAOYSA-N 435.536 1.320 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749020119 MCWSWDCEPOVSJN-OAQYLSRUSA-N 432.594 1.182 30 10 IDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCS(=O)(=O)CC1 1749043789 KODBGYWBUANGOX-UHFFFAOYSA-N 429.571 1.882 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1749458079 XQSLLKGPAXDUSM-KRWDZBQOSA-N 431.541 1.206 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1749640334 PNVYFTGFTCWJCC-UHFFFAOYSA-N 426.525 1.410 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[C@@H](C(N)=O)C1 1749659178 WSYZUEJWBPGOSY-UONOGXRCSA-N 428.562 1.745 30 10 IDEE CC(C)(C)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750458514 VQQXEQVOSKZZNH-FUFIUMIBSA-N 444.536 1.560 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1751094212 GGKSTNLVBFLSTK-DOTOQJQBSA-N 440.533 1.548 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1751778195 DOGDFAZGRANAED-YWZLYKJASA-N 442.549 1.752 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760094950 BMDNKPOFNJPZBA-CTNGQTDRSA-N 436.560 1.873 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1760195159 XQXIWQXVLNSPBI-KKSFZXQISA-N 446.504 1.180 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(CC)s1 1760201913 MUNPBZZIGNVHLN-UHFFFAOYSA-N 444.524 1.727 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1760243844 HNCVZAKIQYINGB-SFHVURJKSA-N 438.326 1.284 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CCOC2)CC1 1760257215 RCNYQDOABRNQEV-VGOFRKELSA-N 429.496 1.464 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760433240 CPIWUPBLRSTQMU-SFHVURJKSA-N 447.561 1.656 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1OC 1760461485 VTLFSWGGZCJHHN-WBVHZDCISA-N 434.566 1.912 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@@H]2OC)C1 1760534558 BFRNELFDQLTILH-KURKYZTESA-N 442.520 1.758 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1761371202 QWRRKEWRHJBNTN-YOEHRIQHSA-N 439.520 1.344 30 10 IDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1764213304 MZIFCJABFKFVAY-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766875263 AZEZYAWKUKATLY-HXUWFJFHSA-N 437.548 1.802 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1767873216 PZWOBZIESCNZLB-KBPBESRZSA-N 433.490 1.083 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1768634478 QWNKBCSLMXYJOP-GHTZIAJQSA-N 445.545 1.230 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCO[C@@H](C)C1 1770045018 WFYKTZUVJLTXKG-HLNWXESRSA-N 432.569 1.994 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1770165597 JEWOKUUCLCPJTG-QGZVFWFLSA-N 442.520 1.449 30 10 IDEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1771019683 CHMPZJFDZVENEQ-GOSISDBHSA-N 439.520 1.759 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 1771304964 OSYYVUJOYMBCNR-FUOQNJDISA-N 427.505 1.639 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(CCC#N)CC1 1852649251 FTVFWCUQLIJLLW-ZDUSSCGKSA-N 429.340 1.174 30 10 IDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N2CCOCC2)cc1 1852838715 NKMRZKOJRMYWDQ-LJQANCHMSA-N 433.917 1.960 30 10 IDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCN(C)C1=O 1852959277 BTEUVJBNSLQHPT-WFASDCNBSA-N 444.351 1.361 30 10 IDEE NC(=NOCCC(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1)c1ccncc1 1853566419 GKDPYVUGQRSBJQ-UHFFFAOYSA-N 448.531 1.379 30 10 IDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)CC1 1855985336 VCSOUEHOXOGSFZ-GJZGRUSLSA-N 427.402 1.883 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891879 VGZMOADBPAPSRC-MRXNPFEDSA-N 427.417 1.405 30 10 IDEE C#CCOCCOCCn1cnc(I)c1I 1988548569 MXUCVQXEPLXZDW-UHFFFAOYSA-N 446.026 1.759 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065456648 KJRPSHXXGMDQHE-YOEHRIQHSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124535678 XSHQBKZSKUBWQM-MSOLQXFVSA-N 446.353 1.972 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248405182 RXIDYPXXTKDUOM-AWEZNQCLSA-N 444.359 1.065 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2255649590 VAEAGLUPDTZKNF-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255650379 CEALNAMLFJYXJU-HIFRSBDPSA-N 432.330 1.904 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255828319 CZMVKZBFRAFAON-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255838488 HBEQJNUCHUSLKM-QGZVFWFLSA-N 442.394 1.646 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267487721 QDBDLVWCVYQMAK-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE CO[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267878857 CGPFMXZQPCPVDG-KGLIPLIRSA-N 448.329 1.140 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267881373 ZUDSBUBGDSRAQY-ZIAGYGMSSA-N 448.329 1.140 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2298460584 HMKYZXUAMLUTLA-QLFBSQMISA-N 426.319 1.021 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)C[C@H]12 2298460862 VJQWYHGTMLFFGA-RMDKCXRXSA-N 436.343 1.501 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@](C(=O)O)(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2323298109 VIFZLMUPLFMSRN-CVDCTZTESA-N 444.532 1.787 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)CC1 32275053 WANVEGVSMIYUQM-HUUFRCNWSA-N 444.620 1.790 30 10 IDEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3c(C)nn(C)c3C)C(=O)C(=O)N2CCN(C)C)cc1 102749396 KYKLMFORRXQFJA-LAFOYAEKSA-N 440.500 1.807 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 461372538 CJPUKMPDJKYSFO-SFHVURJKSA-N 439.537 1.017 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)C2)cc1 461738960 BSAQVMXARQLEKK-LSTHTHJFSA-N 445.541 1.258 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C)cc2)n(C[C@H]2CCCO2)c1=O 462424850 CFPPRAPDTZWWQH-LJQANCHMSA-N 448.548 2.000 30 10 IDEE C=C(C)COCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 475383555 MRYMVTUOPLFNIB-UHFFFAOYSA-N 433.324 1.511 30 10 IDEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 480757062 KOLIKKXJWGKPPV-OALUTQOASA-N 425.576 1.760 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)nc1 482613130 YRDKUQYYUGBWHR-UHFFFAOYSA-N 443.533 1.779 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1 503643258 LPHNMMCVYVPMJK-UHFFFAOYSA-N 430.461 1.825 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 513785819 UEPMUGNDRSTNMK-UHFFFAOYSA-N 444.538 1.210 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCN1CCOCC1 515452225 YGFVUNIMIFZNGO-UHFFFAOYSA-N 445.972 1.624 30 10 IDEE Cc1nsc(N2CCN(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 516351607 AQMZTCFDQSXIRH-INIZCTEOSA-N 439.607 1.117 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)nc1 521107666 CLDBYMNIFALHTF-SFHVURJKSA-N 426.498 1.690 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CCC(=O)Nc2sccc2C#N)CC1 533277414 KPQVSAKMSGKPKO-UHFFFAOYSA-N 433.559 1.679 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1c(C)cccc1C 537394744 OWJRODGNEHTNFY-UHFFFAOYSA-N 434.521 1.477 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 537630287 LIRPTLWRLQBMSM-UHFFFAOYSA-N 438.557 1.611 30 10 IDEE C=CC[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 543082069 YPICLAVTWVVOAO-OAHLLOKOSA-N 427.523 1.093 30 10 IDEE CCO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@]12CCCO2 546813434 PEJRXCGSJSMBDI-SBHAEUEKSA-N 448.545 1.301 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 558576400 ANLIWMMTWQUZKG-UHFFFAOYSA-N 444.513 1.470 30 10 IDEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 558985476 VNIYSOGMSFDIDE-UHFFFAOYSA-N 425.472 1.304 30 10 IDEE O=C1ONN(c2ccccc2)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCC(O)CC1 585673697 PWDCOTFMYRFSJT-AGKNUVCWSA-N 434.452 1.618 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccccc1C#N 604000108 MUTDOGSNJZAZLW-UHFFFAOYSA-N 444.516 1.345 30 10 IDEE CC1CCN(CCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 616172986 IBANSUUVBOFRBU-UHFFFAOYSA-N 433.578 1.696 30 10 IDEE CN1CCN(S(=O)(=O)c2c(Br)cccc2B2OC(C)(C)C(C)(C)O2)CC1 725386273 UTCHHQXFYVSRGR-UHFFFAOYSA-N 445.188 1.684 30 10 IDEE COc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C(F)(F)F)c1 737304692 AHSFOIZPNRWFAK-PFONDFGASA-N 426.351 1.295 30 10 IDEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc12 744008051 SBLBVFIMASBGJV-LBPRGKRZSA-N 445.526 1.579 30 10 IDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 780205673 NCAVDNSWXAJTRP-XTZNXHDOSA-N 435.358 1.696 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)n1 789322452 JJCZXANKQXNUQV-ICSRJNTNSA-N 426.517 1.652 30 10 IDEE CCOc1ccc(Br)cc1S(=O)(=O)N(C)C(=O)[C@H](C)n1cnc(C#N)n1 798826271 SCTRJZOCVRTUOU-JTQLQIEISA-N 442.295 1.719 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 802600649 XOZPQTODAVZTMT-QLFBSQMISA-N 442.586 1.814 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)OCC)(S(C)(=O)=O)CC3)cc2C1=O 803611998 PMFPVALCNVIBJN-UHFFFAOYSA-N 448.497 1.051 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 804539853 PPIUVOPYFRSIET-ZFWWWQNUSA-N 441.575 1.366 30 10 IDEE CC(C)c1n[nH]cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919122151 AZPPIGMRTWEAFB-UHFFFAOYSA-N 445.501 1.095 30 10 IDEE Cc1cc(C(=O)Oc2c(F)cc(C#N)cc2Br)nc2c1c(=O)n(C)c(=O)n2C 1131399022 GMDBYDQLTCAAQW-UHFFFAOYSA-N 447.220 1.933 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 1136488188 HYNQLHGTXVGRRI-KRWDZBQOSA-N 444.557 1.421 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(O)nc(C2CC2)n1 1154790529 WNOHBGRXUWWPEO-INIZCTEOSA-N 443.529 1.829 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 1157697084 QVYICGZCYJTZHL-CQSZACIVSA-N 433.511 1.471 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(n3cnc(C(=O)OCC)c3N)CC2)c1 1169252854 LNRCWEPFTJKOCA-UHFFFAOYSA-N 438.488 1.609 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@@H]2C(=O)NCC23CCOCC3)n(-c2ccc(F)cc2)c1C 1176504603 FNPKAVYOCCIJIC-HXUWFJFHSA-N 439.491 1.928 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nc[nH]n2)C1 1176692848 CQKURLRFVPXMOW-OAHLLOKOSA-N 430.534 1.810 30 10 IDEE COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1177964342 IEPJSTHCVYWQMH-INIZCTEOSA-N 433.461 1.155 30 10 IDEE C=CCCc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 1187257613 GRISQSPCPCJHEX-UHFFFAOYSA-N 438.575 1.670 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl 1191254087 BUXQLETXWNNDDM-ZDUSSCGKSA-N 434.923 1.341 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 1254753551 CWTHMGVKHGNMMX-GOSISDBHSA-N 433.578 1.656 30 10 IDEE COCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 1264288944 BCTMFOXDIWHDLA-HOCLYGCPSA-N 439.921 1.227 30 10 IDEE COC(=O)c1cccn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1=O 1264645488 RBTZGXNUGNOBMR-OQKWZONESA-N 446.485 1.086 30 10 IDEE CSc1nn(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c1C(N)=O 1265168028 HZQBMOKBAPVBTD-SNVBAGLBSA-N 432.893 1.758 30 10 IDEE C#CCOCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1266570589 PMMBZVDTKZMBGU-RDJZCZTQSA-N 428.348 1.809 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCn1cc([C@H]2CCOC2)cn1)[C@H]1CCS(=O)(=O)C1 1286386336 YRCXLGDSTCXRBA-HKUYNNGSSA-N 446.577 1.429 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1286390016 VFKCKLANMBMUDC-MOPGFXCFSA-N 441.557 1.521 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCOc2cccc(OC)c2)CC1 1286476672 DBRHOIDGMQUROH-UHFFFAOYSA-N 435.532 1.912 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286564496 GQQYXDLUAUHVSR-NPPFBWRTSA-N 433.553 1.613 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nnc(O)n3C2)c1 1291721398 KHKIQUCKSGZIPB-XFJHAZTOSA-N 446.533 1.778 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(-c2ccccc2)no1 1296200465 UCJVRGLLUJISND-UHFFFAOYSA-N 425.470 1.872 30 10 IDEE CCOCc1nnc(N2CC[C@]3(CCSC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297188856 PKYYQYWTNATXED-IVFAQJDTSA-N 432.550 1.674 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1300268624 UGIBHCANMCZOMF-INIZCTEOSA-N 429.546 1.618 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1300322260 RZFNKCFPXOVVIU-AWEZNQCLSA-N 425.942 1.860 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1300365114 PPPQCCQQVZKVCT-ROUUACIJSA-N 432.550 1.086 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1300487116 GIAXHGOXAQMXLM-HNNXBMFYSA-N 429.481 1.003 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1300493203 SLEVOXNBHFFAPG-MRXNPFEDSA-N 444.561 1.047 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300497029 XDAVJRWBPIHMFH-VAMGGRTRSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1300500551 BGEGOFGESWAQFA-LJQANCHMSA-N 430.578 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCn2cc(Br)cn2)CC1 1300717038 WHLICYBEIXBAJW-UHFFFAOYSA-N 434.342 1.602 30 10 IDEE C=C(Br)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1300862870 GULIYBAJEMMHMT-QGZVFWFLSA-N 443.346 1.300 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300912532 DXBGHSIFBAIFRU-ROUUACIJSA-N 431.585 1.574 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300994169 NOCWKDLRYWNELF-UHFFFAOYSA-N 448.593 1.717 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC(C)(C)C2)CC1 1301124139 GIBMKUZIDKVDQQ-SFHVURJKSA-N 437.610 1.693 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCCCC2 1303643674 ATNYXRYHBKXQJH-OAHLLOKOSA-N 433.520 1.883 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)C2)CC1 1307904547 LVTGLZUEDKRTDT-PWRODBHTSA-N 448.608 1.548 30 10 IDEE C#C[C@@H]1CCCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1308139650 AKNYIEYXOTUPLM-OAHLLOKOSA-N 425.938 1.787 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(C)C)CCO1 1315013291 LFDYERXYZDPIMY-IBGZPJMESA-N 426.521 1.831 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 1315055730 BCZMSFCGIDGZQW-UHFFFAOYSA-N 445.531 1.787 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1 1357767482 VITQCTWDQGQIKS-RBUKOAKNSA-N 427.501 1.773 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358951378 TXNSMOHZSDNGLZ-OAHLLOKOSA-N 428.484 1.966 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2F)C1 1359023177 CDZZZVIARDMGDS-MJGOQNOKSA-N 440.523 1.981 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359048221 JCYYEEJHKKMROY-KRWDZBQOSA-N 427.578 1.683 30 10 IDEE C=C(Br)Cn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359088779 SSFNARWPXVOLLS-PMUMKWKESA-N 440.342 1.554 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1359263906 PHBKCCGKTSCSOP-OAHLLOKOSA-N 437.591 1.959 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359302857 VUBQGFOBTCCCTP-VGSWGCGISA-N 426.521 1.340 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(OCC(N)=O)CC1 1359329722 RYFUHWJZYMAZLL-UHFFFAOYSA-N 433.534 1.017 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2CC(F)(F)C[C@H]2C1 1452334493 GPCAMNJMSFVSQN-GOEBONIOSA-N 440.516 1.692 30 10 IDEE CC1(C)OB(c2ccc3cc(NC(=O)CN4CCS(=O)(=O)CC4)ccc3c2)OC1(C)C 1455334493 QJPJTTFLXSFAGD-UHFFFAOYSA-N 444.362 1.808 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1cc(C#N)cs1 1460846419 DSIGDBQIELEXNX-UHFFFAOYSA-N 436.534 1.724 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1 1466750001 MFMMEZIFWQZVLZ-UHFFFAOYSA-N 431.602 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1470188154 KUXFTQCBPHOWBC-DCGLDWPTSA-N 448.492 1.211 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC(C)(C)O1 1494235579 HZEKPPGSQBULSB-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@H]1CC 1503219962 HWHUPDLMQMUVJX-HXUWFJFHSA-N 449.563 1.931 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507589075 FKJPTAHIAWWUSL-INIZCTEOSA-N 427.534 1.520 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507637427 KDSFIEOTBOYJBX-LJQANCHMSA-N 431.562 1.556 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCC)CC1 1507739086 MKSWWTBATYRBGC-HXUWFJFHSA-N 439.516 1.793 30 10 IDEE C=CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 1507921442 VAJAITNPNKAZRZ-MOPGFXCFSA-N 437.548 1.990 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCNC(=O)CC1 1508075958 RDMLUPHCGCESDU-MRXNPFEDSA-N 442.520 1.445 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1508080412 ANSMRETVUOKDQZ-KRWDZBQOSA-N 439.495 1.797 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1508094119 GEEHWJPJDCTJEP-SFHVURJKSA-N 435.532 1.757 30 10 IDEE 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C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722448144 NPDXFIDNRFRGLG-DLBZAZTESA-N 446.552 1.715 30 10 IDEE C=C(C)COCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OCC)CCOC1 1722538695 SUZNCPOOISDSOR-QFIPXVFZSA-N 433.553 1.629 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1722607400 ATZKTZSROLDJJZ-INIZCTEOSA-N 438.540 1.535 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1722722246 OFRWKLIYLIYGLY-SJORKVTESA-N 425.493 1.033 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(CC)C1 1722724129 OKESGWXNJRDNRJ-PBHICJAKSA-N 433.600 1.116 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722736836 KGSOUMIZESTHFA-UHFFFAOYSA-N 446.556 1.689 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1729409350 FTPXXHBUDSOTMW-XLIONFOSSA-N 431.518 1.187 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1729637601 IGOIBGPHAKGQNZ-QHCPKHFHSA-N 437.548 1.941 30 10 IDEE C#CCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740589153 PVAWQGVNZLFDOR-IXDOHACOSA-N 449.577 1.695 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740615341 BJSGHYYZPMAZJM-GOSISDBHSA-N 449.577 1.170 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1740655954 GWHPXYTXWUSAPZ-LEWJYISDSA-N 449.559 1.455 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCC=C)CC1 1740707056 MWVZOEUMEJABGZ-UHFFFAOYSA-N 426.546 1.198 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO 1740730775 HZCVRODBRKHPPN-BBTUJRGHSA-N 435.594 1.019 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 1740932092 HBBXGBTVQJHJPG-IAGOWNOFSA-N 425.555 1.216 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740958470 QAYAKTRUWIZTDQ-UHFFFAOYSA-N 430.582 1.978 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc4cccnc34)n2CCNS(C)(=O)=O)C1 1740978506 WMNMBHQGXXXTQJ-KRWDZBQOSA-N 442.545 1.824 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1741000907 IAHWTZMEKWWEKU-INIZCTEOSA-N 435.598 1.732 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)N(C)C)n1 1742700744 FPPHRHVXMFCOFY-MRXNPFEDSA-N 435.536 1.625 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1747940021 OFCOTVCNSLLUCV-UHFFFAOYSA-N 440.476 1.069 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1748864112 QAAOAUYDZZFSJB-WFXMLNOXSA-N 449.577 1.079 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749044775 UHLNWNZLVATTCY-QGZVFWFLSA-N 442.593 1.909 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCNC(=O)C1 1749677677 HPRLWNCLYRCAEQ-UHFFFAOYSA-N 426.521 1.527 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1749680188 GFVOLKOHUPREJW-UHFFFAOYSA-N 446.939 1.619 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2)CC1 1749730627 LGBRYGIOINBBDU-UHFFFAOYSA-N 439.545 1.663 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(=O)(=O)CC 1760108525 ZABKROSUYGTANS-OAHLLOKOSA-N 433.534 1.504 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC(=O)N2)c1 1760126337 VLMOGLDWMFOEPY-GOSISDBHSA-N 432.488 1.013 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760201432 AUXORNSRJOXYAT-AWEZNQCLSA-N 436.463 1.462 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760248983 SMGHKOKGRZWLFL-IBGZPJMESA-N 448.531 1.561 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2nccs2)n1 1760252425 NKDJVJOZMZPTIQ-MRXNPFEDSA-N 440.533 1.217 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760354438 AUAGOGAJOQTQQV-UHFFFAOYSA-N 443.552 1.451 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1760358771 ZAIFTDNRIFMHQV-MSOLQXFVSA-N 442.582 1.403 30 10 IDEE C=CCN(c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1760475775 UIGLAZWIWKCXLX-HXUWFJFHSA-N 436.509 1.701 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1760504820 CLWMAXRAUURRAE-MOPGFXCFSA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1760515196 QVULXXOCSOGUAX-INIZCTEOSA-N 445.593 1.663 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760518962 NFUSKQKKVHYBHN-OAQYLSRUSA-N 425.493 1.634 30 10 IDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1766510506 OVSAWHYFDWZAGF-QGZVFWFLSA-N 433.534 1.779 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768446518 BEICODKZMSMFFQ-AWEZNQCLSA-N 425.493 1.185 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1770137114 HOYXMOIAKDXKMC-MOPGFXCFSA-N 438.532 1.715 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1770640779 BESGDCARVCHQQB-AALSRWHQSA-N 444.536 1.907 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)OC(C)(C)C 1771189810 YCHSWZSTRUPJFU-LIRRHRJNSA-N 426.493 1.969 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)cc1F 1771305080 SBIGJBQOQHWICW-WDYCEAGBSA-N 431.468 1.927 30 10 IDEE C#CCN(C(=O)NCCC[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1772515209 MBGQXYULWUEBDN-SJORKVTESA-N 427.567 1.998 30 10 IDEE C=CCN(C(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCN(C)C1=O 1848762768 VVELUNWNZYEUIF-HNNXBMFYSA-N 433.452 1.619 30 10 IDEE N#CCOCCN1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 1852239979 TZAWRRKKJYJOMU-UHFFFAOYSA-N 435.287 1.138 30 10 IDEE COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(C#N)c2)C(=O)C1 1853830223 IEKOIQSYQXUXDH-UHFFFAOYSA-N 431.445 1.688 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1854590855 QVSSMKGHQCGOMJ-DLBZAZTESA-N 437.587 1.950 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)C(C)(C)C2=O)CC1=O 1854716810 FRYOXAVBSUHYRU-QGZVFWFLSA-N 433.530 1.000 30 10 IDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)COc3ccccc3Cl)C2=O)C1 1857136359 GQRIVZQMRDSBKB-KRWDZBQOSA-N 426.860 1.876 30 10 IDEE N#Cc1c(NC(=O)COc2cn(CCCO)c(C(=O)O)cc2=O)sc2c1CCCC2 1857883047 VTPZWABFQCJBQI-UHFFFAOYSA-N 431.470 1.758 30 10 IDEE C=CCn1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)cc1C(=O)O 1857890331 RWKNPKLFRSATSR-UHFFFAOYSA-N 438.440 1.548 30 10 IDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(CC)nn2C 1864323397 KLZLUTZBAGISKQ-SFHVURJKSA-N 425.533 1.920 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540758 BKWOWKOHOBIVKT-UHFFFAOYSA-N 448.531 1.796 30 10 IDEE COc1cc(=O)n(C)cc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889370083 MWQQTCBONJRCDX-UHFFFAOYSA-N 444.576 1.045 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@@H](O)C1 2010514012 USDXRZYWBHTFQZ-XUVXKRRUSA-N 428.533 1.841 30 10 IDEE NCC#Cc1cnc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)s1 2089778646 DIEIXXQKVMCSQB-UHFFFAOYSA-N 432.527 1.662 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)nc2)OC1(C)C 2243390370 UCQFTEPSSDBKOB-UHFFFAOYSA-N 438.293 1.527 30 10 IDEE C[C@H](CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255610487 YZRHKYZGMKVBQB-MRXNPFEDSA-N 427.358 1.755 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255627274 QJKSEXKIRWLHHZ-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255629568 XQRBLYTXPHPMQC-UHFFFAOYSA-N 432.330 1.648 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255642721 KNPYXSSJCSMGAB-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255821801 GPAFQSHFIVKMNU-CQSZACIVSA-N 434.346 1.801 30 10 IDEE Cc1c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255822947 QOUPGZIIHSEXQH-ZDUSSCGKSA-N 436.318 1.308 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255826409 PDKKFUGHGZJCTM-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2255877343 JLPPYHSBGHQHMX-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2256615388 UFZNLYXITMRUKZ-CQSZACIVSA-N 433.314 1.955 30 10 IDEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267222046 VQQGYJFVMQWHDZ-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C3CN(C(=O)OC(C)(C)C)C3)C2)n1 2267577558 UFZMJFVLVNAWPL-UHFFFAOYSA-N 447.345 1.053 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(CC(=O)O)Cc2ccccc2)n1 2268977623 BRAGEBZDALBZOY-UHFFFAOYSA-N 442.325 1.036 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Br)ccc1O 2330772738 KWVWYJMUEIHQBJ-UHFFFAOYSA-N 442.295 1.530 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)n1 2334530370 TXJJBNBSRVPASN-MJBXVCDLSA-N 447.345 1.242 30 10 IDEE COc1ccc(NS(=O)(=O)C2CC3(C2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2365312132 SETIAEXIBWBTRY-UHFFFAOYSA-N 425.312 1.642 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Oc3ccc(OC)cc3)n[nH]2)cn1 59887468 SCCGMCXJAKUYLS-DJKKODMXSA-N 431.478 1.800 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccccc3F)o2)c1=O 101350995 DPOVFMYWCQONRQ-UHFFFAOYSA-N 431.449 1.875 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccc(C#N)cc2)C1 460278694 YUQNBUVMPZTONV-QGZVFWFLSA-N 432.502 1.759 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 478754051 NMUMTFFPFNXLLA-ZFWWWQNUSA-N 431.539 1.044 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 480526091 MZFNZLCHKMOXAD-DNVCBOLYSA-N 426.498 1.315 30 10 IDEE N#Cc1ccc(OCCNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 482575593 BCUMKQGGWGMMBM-UHFFFAOYSA-N 431.474 1.175 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 483126166 UFJJJXGAHCIFJD-FXAWDEMLSA-N 426.542 1.958 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@@H]1CCCO1 486837744 FBDHMFCZQQYBHX-HNNXBMFYSA-N 447.919 1.663 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 487334805 MGUXCPHNXKXQGT-VHSXEESVSA-N 432.296 1.055 30 10 IDEE CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C1 505013652 MHAWVHGPTUJBME-IBGZPJMESA-N 425.533 1.944 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2OC)C1 508940229 XLJKHEYVNCXFDH-VQIMIIECSA-N 447.561 1.800 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 522185736 MQQNQOXLISNUSM-UHFFFAOYSA-N 435.488 1.821 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 532955062 REODYIHBQHDRKT-UHFFFAOYSA-N 427.530 1.617 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC3(C(=O)OC)CCC(C(=O)OC)CC3)cc2C1=O 539902091 FLWFTGQMKZVFEI-UHFFFAOYSA-N 428.441 1.473 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540548699 GBXYLOMTZXARJK-RTWAWAEBSA-N 444.649 1.559 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 549278480 ASQZFIKJQPGACW-OAHLLOKOSA-N 426.568 1.588 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 555254399 KYEZJOMZGDBZRG-UHFFFAOYSA-N 440.552 1.914 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 558990086 KERXJOSVYLRSCB-HZPDHXFCSA-N 429.612 1.765 30 10 IDEE COc1ccc(CNC(=O)Cn2cc(I)c(C)c(C#N)c2=O)cc1 563754482 JZTPTSRYSHIONX-UHFFFAOYSA-N 437.237 1.958 30 10 IDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 578770850 SWVMMOOAAMPSCS-UHFFFAOYSA-N 435.532 1.896 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1C[C@@H]1CCCO1 603923729 SZSHHHJFWNXJGL-ZDUSSCGKSA-N 448.342 1.100 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2cccnn2)CC1 725738454 YJVNZWMELWQXPN-QGZVFWFLSA-N 442.545 1.279 30 10 IDEE C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccoc2)c1=O 727418722 WLXXJGBRZXAMSI-MRXNPFEDSA-N 435.505 1.474 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)/C=C/c2cccc(Br)c2)CC1 727445244 DKLCZCCCQZJVPI-WUXMJOGZSA-N 428.352 1.669 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 732138079 LWEJLIMTDAXMFX-CQSZACIVSA-N 448.495 1.784 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)cn1 733077528 BHMLMSMZAKHTGT-HRAATJIYSA-N 449.577 1.516 30 10 IDEE C=C(Cl)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 735969929 QESMWNZSJKEJKZ-HNNXBMFYSA-N 437.953 1.537 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1-c1ccccc1C#N 736580823 ALCUUAXPRDJEIW-UHFFFAOYSA-N 449.561 1.873 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl 747887552 BAFSNDRNSIARBE-ZDUSSCGKSA-N 448.936 1.603 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(C)C)cc1 751921203 FFIXBJAUKQQTAM-QAPCUYQASA-N 447.605 1.944 30 10 IDEE O=C(NCC#CC(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757487782 WHPVCRSWURASBW-IAGOWNOFSA-N 448.475 1.823 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1C 771541209 WACXCQLCSZCDGW-INIZCTEOSA-N 427.534 1.670 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 789891478 XOPFNDLFJVNAQM-OAQYLSRUSA-N 447.488 1.849 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O)c1cc[nH]n1 789979424 GUYFNZHWJAEREY-INIZCTEOSA-N 431.424 1.097 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccnn2-c2ccccc2)c1=O 790361006 RNADSIFLSGJOMF-UHFFFAOYSA-N 431.521 1.148 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(CC=C)CCCN2C(=O)OC(C)(C)C)CC1 790592371 VUPZSPXNMQPWFA-QHCPKHFHSA-N 432.565 1.616 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCSC2)cn1 794451403 VLVQJUTUBOJBPY-LSDHHAIUSA-N 437.591 1.595 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)c1 795192811 CDTPRESYODOEEH-UHFFFAOYSA-N 428.517 1.795 30 10 IDEE COc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)c(OC)c1 806027610 FABDXWGZFCQTIC-PKOBYXMFSA-N 427.505 1.186 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(Br)c2)N(Cc2cnn(C)n2)C1=O 807934204 DLHHUTMSBUTSAJ-ZDUSSCGKSA-N 437.323 1.845 30 10 IDEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)cc1 917035587 FGKAXVRWBQXMBP-KCITZHQASA-N 430.530 1.746 30 10 IDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cn1 1084085784 KUUHGEWHOUNGKA-UHFFFAOYSA-N 444.481 1.854 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cc1 1136149382 IODGCNMXOSNBOC-YHYXMXQVSA-N 427.457 1.813 30 10 IDEE C=CC1(CC(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1140468118 WPCLMIIIAYIOTC-INIZCTEOSA-N 429.583 1.930 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(Br)c(C)c2)CC1 1152972965 GLHZNXLOSQVTOZ-UHFFFAOYSA-N 442.379 1.647 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 1175210614 CWQUWCJWHMSMON-LJQANCHMSA-N 433.921 1.878 30 10 IDEE C[S@](=O)C1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CCN(C(=O)OC(C)(C)C)CC1 1179423214 PWUSHUFINWYJIB-PMERELPUSA-N 440.562 1.999 30 10 IDEE C=CC[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)C(=O)OCC 1189089790 XAPBSELHNZBWMR-RCCFBDPRSA-N 440.518 1.450 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1196788537 STGRUKAETDJXFT-YJBOKZPZSA-N 439.534 1.819 30 10 IDEE COc1ccc(C[C@@H](C)CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC 1225338770 SEVIIIYQCNIQAQ-CYBMUJFWSA-N 427.461 1.283 30 10 IDEE C#CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286336128 VKEYPZATRSQHSF-VGSWGCGISA-N 444.536 1.206 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286387885 VXLGUMSAVPEEID-QGZVFWFLSA-N 440.529 1.362 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1286407784 RGVUCNLAVFYXBQ-MOPGFXCFSA-N 432.528 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1286490263 PDQAEYJJQQXISD-MRXNPFEDSA-N 433.463 1.069 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2ccco2)CC1 1286490841 UGTWDDGNSVZOIJ-FDDCHVKYSA-N 441.532 1.986 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCNc2ccccn2)CC1 1286493124 LPXWDUFCGCKXIH-LJQANCHMSA-N 437.548 1.645 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286506259 RPPPYZUEYXXNDU-JOCHJYFZSA-N 425.558 1.960 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)[C@H](C)CC)CC1 1286645322 BEBKVBIZXQGBKS-QZTJIDSGSA-N 440.614 1.498 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@@H]1C 1286741290 GALVQCKUIZVDCD-ICPLQIHGSA-N 436.516 1.833 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286791939 HYDYRFYQXDPJND-KRWDZBQOSA-N 444.511 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC1 1286816926 ODPFFZFWHRXYQV-UHFFFAOYSA-N 428.522 1.510 30 10 IDEE Cc1ccc(OCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1289840605 FOCWPCHWTKWQOY-WMZOPIPTSA-N 448.549 1.395 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1298578236 YQHMEERZOIGSFU-UHFFFAOYSA-N 447.561 1.741 30 10 IDEE COc1cccc([C@@H]2CN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CCO2)c1 1300408094 PZDIKQLXHWPMCR-GEXZYOHASA-N 438.488 1.699 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1300490652 ANZFTZFUQTUZPR-IBGZPJMESA-N 441.557 1.580 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300502732 WHXGLZIDLZWJJJ-HKUYNNGSSA-N 449.621 1.942 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CC=CCO2)n1 1300680812 FKHWBDDKWZWULU-LJQANCHMSA-N 434.504 1.563 30 10 IDEE N#CC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1300688362 AANZIODQSGAFBZ-GOSISDBHSA-N 432.546 1.452 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1 1301278251 JDFQEWODQUPMMI-UHFFFAOYSA-N 429.550 1.794 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1313468053 GIBJGNHMLDFTJI-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE COC[C@H](Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1315809431 UYJVDIAFNRZPRD-CNNODRBYSA-N 448.568 1.157 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1325228279 LTEVNAWLHNWIIT-OAQYLSRUSA-N 447.601 1.675 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1358927315 UTDMNDYPHZNMPP-FQEVSTJZSA-N 429.550 1.353 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358964906 JVJZGIRLGSILPT-NSHGMRRFSA-N 443.573 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnc(C)s2)CC1 1359040046 GFPVDPVMKNMJMO-UHFFFAOYSA-N 429.550 1.195 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@H]1C 1359133351 QGAKTNPFHJMCST-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](COC(C)C)C1 1359303874 DEFBSLVBZYOOJV-SFHVURJKSA-N 431.541 1.072 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(OC)cc3C2)nnc1[C@@]1(OCC)CCOC1 1359305327 AIZNOUVIDIAGML-HSZRJFAPSA-N 441.532 1.804 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1359430070 GSVWLDBIRVZGQR-UHFFFAOYSA-N 439.520 1.312 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cc(C(=O)N(C)C)ccc1OCC)c1cc[nH]n1 1445229016 XVVXGWNQWYLALX-UHFFFAOYSA-N 431.449 1.433 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1449781836 MPTNIUABYQSLJQ-PXNSSMCTSA-N 448.928 1.792 30 10 IDEE C=CC[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1453000433 RZXJNOPCUDMVSC-FUHWJXTLSA-N 428.576 1.583 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1463589499 NFZUBLHWXLYVBI-IBGZPJMESA-N 449.573 1.967 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2N2CCOCC2)cc1 1468195981 PMURPCXVMQERCK-UHFFFAOYSA-N 429.542 1.960 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1471528543 DAYMWIJGDZXYMR-DEOSSOPVSA-N 435.480 1.976 30 10 IDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nc3ncc(Br)cn3n2)C1=O 1472908337 XIVANURWRDMMHN-QGZVFWFLSA-N 426.234 1.726 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1478861194 LJNSNYKXSCTQJY-QGZVFWFLSA-N 444.488 1.764 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1504957256 JZCBJNMCPUYFGZ-MRXNPFEDSA-N 439.582 1.957 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)(F)F 1507657126 NVIABWDZWLOHAL-UHFFFAOYSA-N 446.433 1.858 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCSCC1 1507713352 HCRBUEQPGDVVLC-UHFFFAOYSA-N 439.589 1.651 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nnc(C)s2)CC1 1507737657 BKMLJGISBPVGCU-INIZCTEOSA-N 429.550 1.694 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSC(F)(F)F)CC1 1507737793 FSYBYNAXTLMUGW-UHFFFAOYSA-N 441.483 1.897 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507801627 WOPKZXOCQAVBRL-KONPQCLYSA-N 439.582 1.470 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)C(C)(C)C 1507812116 ISQVUKHVXSYPEI-CQSZACIVSA-N 435.616 1.504 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC=CCC2)CC1 1507885174 UGCURWPJLFKGCN-GOSISDBHSA-N 436.582 1.029 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC)CC1 1507902902 PMHRHHVVJIASJD-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507936322 BKFSPSDWWCWUNQ-IBGZPJMESA-N 443.596 1.613 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(CC)C(=O)C1 1508093941 YBQZOANZJJRTHY-UHFFFAOYSA-N 440.548 1.835 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCS(=O)(=O)CC2)C1 1508111080 CNOFMRPKZBWRAZ-INIZCTEOSA-N 435.550 1.005 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)C1 1508126291 RFZDDDDEFHCCSZ-ZWKOTPCHSA-N 445.545 1.109 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCOC[C@@H]1C 1508142817 BNVVOJSCIPEFQU-INIZCTEOSA-N 430.534 1.343 30 10 IDEE CCc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513890578 RNLUHWLVAQQOTR-PHODEOQFSA-N 442.442 1.915 30 10 IDEE COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1515130679 KMUMLIGAIKYGAS-HOCLYGCPSA-N 444.488 1.858 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1OC 1521192582 IERGBLVVJSYXBG-HOCLYGCPSA-N 446.504 1.852 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1538983961 ZMJVJDYSJPZMJE-OAHLLOKOSA-N 429.546 1.865 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1539264981 BCYZQWCAYXODLR-HXUWFJFHSA-N 428.452 1.406 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1539451847 CABCREPHHGOJRE-HSZRJFAPSA-N 446.665 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(C)CCCO2)CC1 1539469706 UWMALERAKZAETM-DHIUTWEWSA-N 445.564 1.465 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN2CCOC(C)(C)C2)CC1 1539482885 XUQSWENFVGIYRR-UHFFFAOYSA-N 428.581 1.622 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539899922 BCPIUIUCBITQGP-OAHLLOKOSA-N 443.556 1.551 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1540074226 WTEQQTSBORDLGY-SFHVURJKSA-N 435.550 1.599 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1540900916 MXVCZNKLUZKEPB-AWEZNQCLSA-N 446.499 1.947 30 10 IDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540917610 ANJDXCJZBCPUOO-KRWDZBQOSA-N 441.561 1.656 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)OC 1555247545 BRCODGHVBMHMSN-AZUAARDMSA-N 426.521 1.783 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC2)c1 1555794001 FKSQMDRVILXALY-SFHVURJKSA-N 444.561 1.563 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2CCCCCO)cc1 1555988586 IAHPARHSPVCTHN-FQEVSTJZSA-N 438.532 1.807 30 10 IDEE C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)CN1CCO 1557081765 JNFRWTQSQWSMBR-IAGOWNOFSA-N 436.578 1.199 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)C1 1557243611 WHESSCPLBOWOIX-ICSRJNTNSA-N 434.500 1.786 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1587572168 CPJSAOOKJMWZTO-TWGQIWQCSA-N 435.477 1.936 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1588055229 UDJHKOYYLNUGKX-WOJBJXKFSA-N 444.557 1.603 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1588138613 GORLRSDWAZGQIP-OAQYLSRUSA-N 435.528 1.974 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1588223757 FUMLKZNTJBUQJO-NRFANRHFSA-N 427.512 1.985 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cc(C)cn2)CC1 1588780398 OMOYENRNBLVCPE-UHFFFAOYSA-N 435.532 1.923 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCOC)CC1 1588836544 LEZMVHPQMVJYTA-FQEVSTJZSA-N 427.505 1.209 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCc2cnn(C)n2)CC1 1588908469 RAKGKCWEUQNPJP-UHFFFAOYSA-N 432.532 1.672 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCN(C)C2=O)CC1 1589134012 CWZCEPJFUDZCFO-ROUUACIJSA-N 447.605 1.817 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOCC)CC1 1589481626 BEFFLTMQOYACDZ-RTBURBONSA-N 434.585 1.556 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1589708587 PHAQIFPKUQWXRS-KRWDZBQOSA-N 444.605 1.754 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1593695472 FKAWFZIQLHQHHW-CVEARBPZSA-N 425.493 1.233 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1594807685 WNRRCOIZQVNSPC-SFHVURJKSA-N 440.552 1.555 30 10 IDEE CC1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1612865371 LDUQWLSMCXTBSF-IBGZPJMESA-N 429.569 1.755 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1Cc1ccc(C#N)o1 1613545101 AXVASMVSPRPBJI-DYVFJYSZSA-N 425.493 1.424 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1613898969 BAMUCLSZOHZWLD-KBPBESRZSA-N 435.554 1.129 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1616564623 DUARTSHXZDUNFM-MEQKGCOVSA-N 439.491 1.820 30 10 IDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCS(=O)(=NS(C)(=O)=O)CC1 1618159114 BSZHIVUSNHCUQY-CQSZACIVSA-N 430.527 1.204 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 1620176467 DSUHVLKNLJAWMY-IBGZPJMESA-N 444.561 1.619 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCSC[C@@H]3C#N)CS(=O)(=O)[C@@H]2C1 1624161422 VEYRRVMFNRMMRE-LXTVHRRPSA-N 429.564 1.124 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(c4cccnn4)CC3)C2)C1 1626369596 ZRBCCFLSXYRBHM-JQHMZKTJSA-N 426.521 1.912 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 1631330542 FKAQGOBMRGKORG-CTNGQTDRSA-N 434.475 1.855 30 10 IDEE COC(=O)CCN(CC#N)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1632393850 FICIRECBDJUTDI-GOSISDBHSA-N 432.521 1.927 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 1632510161 XNZVPYFMKRGGAN-HXUWFJFHSA-N 442.541 1.375 30 10 IDEE CCCc1c(NC(=O)Cn2cc(C#N)c(O)nc2=O)cnn1-c1cc(F)c(OC)cc1F 1634340564 TXWQGKJWHNJGPR-UHFFFAOYSA-N 444.398 1.884 30 10 IDEE N#C[C@H](CCc1ccccc1)C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1634475472 FVSOGOSFIXYTND-HNNXBMFYSA-N 432.468 1.736 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 1636165905 PVQSFIFIVBRZOW-UHFFFAOYSA-N 440.525 1.519 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC)[C@@H](O)C(F)F)nnc12 1638767404 XQZXGDQAKXENHG-IUODEOHRSA-N 437.472 1.843 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC[C@H]2CCCC[C@H]21 1641970553 NBORMIPMMHGUQE-OIISXLGYSA-N 445.520 1.895 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)cc1 1646186660 GFLNKBSFCXEEDT-UHFFFAOYSA-N 439.497 1.404 30 10 IDEE CCOC(=O)C1([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 1648075114 SWWUYYGYZQVYBM-LSDHHAIUSA-N 437.518 1.090 30 10 IDEE O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649041793 XEOGHTWPKSHCPS-INIZCTEOSA-N 428.489 1.818 30 10 IDEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)N(C)[C@@H](C)CC#N)CC1 1655405242 FYMUYQKIWNWLEQ-HOTGVXAUSA-N 442.607 1.684 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 1670882400 NIKIIMRDYYKJIG-UHFFFAOYSA-N 437.337 1.923 30 10 IDEE C=CCCCCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1671890209 YWSJSSUCZMCIDN-UHFFFAOYSA-N 437.566 1.290 30 10 IDEE C#CCN(C(=O)NCCCS(=O)(=O)NC)[C@H]1CCOc2ccc(Br)cc21 1675079422 PFYVLQFYYBMQGL-HNNXBMFYSA-N 444.351 1.857 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1686085043 ZCDDRDNMSNRHIC-ZCTYVAAUSA-N 430.530 1.709 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1689993956 OFXDKBLXTCPXRO-UXHICEINSA-N 442.589 1.232 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1690045661 OWOXXDQYAUQUEJ-NRFANRHFSA-N 427.512 1.985 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1690102899 XEGVVVSIPLSGMB-GOSISDBHSA-N 447.561 1.215 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2C)CC1 1690111623 GIOJVCIVYLETDZ-QGZVFWFLSA-N 448.568 1.334 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(C(N)=O)CCCC2)CC1 1690131061 SXTTXQFDBNTLLK-UHFFFAOYSA-N 436.560 1.701 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2noc(CC)n2)CC1 1690142797 UPUIQAQFTZXLKA-UHFFFAOYSA-N 434.504 1.494 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1690175371 VMNZCKXIISCAOX-SJORKVTESA-N 441.623 1.604 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1690202698 BCXFRAITKSNKTM-WAIKUNEKSA-N 436.516 1.846 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1690603911 KOGAXPIWTPKQEP-IBGZPJMESA-N 445.589 1.940 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690721116 YBDIRGZYLCKXIP-QGZVFWFLSA-N 430.534 1.102 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690993098 FCGQLWGYZSHECR-FXAWDEMLSA-N 439.564 1.627 30 10 IDEE CCN(CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1695661525 BIZJLLXNEMIXDL-VQIMIIECSA-N 425.537 1.498 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCOC[C@H]1OC 1696298476 IKTLSCHBBZHVOD-RDTXWAMCSA-N 428.493 1.401 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccccn1 1698170286 SQHZOJSTGJIJDT-YLJYHZDGSA-N 425.537 1.816 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705510207 OJVIKPRIKRJVDF-CVEARBPZSA-N 436.582 1.187 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1705517361 UNFUOBYHLOFUDN-HOTGVXAUSA-N 445.536 1.896 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705571198 WPKIDARJLALHJB-QFBILLFUSA-N 433.553 1.585 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCOC2)n1 1705631535 IHFBQVAYUKMSAG-RBUKOAKNSA-N 428.537 1.691 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705791945 IVXQMWHJHGPPDZ-MGPUTAFESA-N 437.566 1.813 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCS(C)(=O)=O 1705889234 BEGYVKXBRZRVEI-UHFFFAOYSA-N 426.568 1.295 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705895531 JUTWKUASRNAMSK-PBHICJAKSA-N 428.924 1.863 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705896248 GQNICQYIKIKLLF-OAQYLSRUSA-N 445.545 1.271 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)OC)CC1 1705931594 UXIRAJBFDHULPO-UHFFFAOYSA-N 448.545 1.944 30 10 IDEE CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1710879088 XEECETIHPWAFFN-UHFFFAOYSA-N 445.593 1.895 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1711419549 HGMQUXUIHUVLHS-UHFFFAOYSA-N 432.506 1.005 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)n1 1722299298 OCLGBDCASPHQFQ-SFHVURJKSA-N 434.548 1.878 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1722361462 NJPUBMQSGBILAA-LJQANCHMSA-N 430.578 1.699 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722368463 RWZAUIQLWCEOJD-RTBURBONSA-N 446.577 1.394 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCCO1 1722425408 XSJDNPKCFHVHQB-QGZVFWFLSA-N 446.577 1.893 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1722436387 FKWKKISQSNQTBB-AQNXPRMDSA-N 427.597 1.352 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722437108 JXZXKUMAEOMQFL-KRWDZBQOSA-N 428.503 1.495 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1722437542 FBTSNQNUPCINEM-OAQYLSRUSA-N 436.539 1.876 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722459909 UBLJSTPFTZZVJF-SFHVURJKSA-N 440.573 1.896 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C 1722517999 RPZHHVHVPJPEDJ-UWVAXJGDSA-N 441.598 1.565 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1722619585 AOWNYDUMYCOCHF-UHFFFAOYSA-N 448.597 1.886 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](COC)C1 1722698694 KMMVMYJDNCIYAD-QFBILLFUSA-N 427.505 1.956 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCCC2(C)C)CCOC1 1723689188 GQLOAWRPRJLHCB-WTOYTKOKSA-N 433.553 1.989 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1726781022 JLQSBIBRFQTSGZ-HXUWFJFHSA-N 439.564 1.890 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@H](C)O1 1730594765 UHJOZPBODIDOJG-FXAWDEMLSA-N 428.537 1.635 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1cccn1 1740545909 DJVBRVJSERXLGM-MRXNPFEDSA-N 426.550 1.983 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1740610803 LSKDTSPBIAGZQB-OAHLLOKOSA-N 441.554 1.091 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1740640131 ZGMCBMIWNAQVGW-MOPGFXCFSA-N 443.573 1.929 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1740644443 GHEUOQXFEDQIHG-UHFFFAOYSA-N 442.545 1.159 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740697696 CQTHOVOOAZHFIW-UHFFFAOYSA-N 427.574 1.579 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(N(C)C)CCSC2)CC1 1740703949 DKRDSEKFDAXPEE-QFIPXVFZSA-N 441.605 1.676 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1740731630 DZEZSAULHICQDQ-SQGPQFPESA-N 435.550 1.296 30 10 IDEE C=C(C)Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740786020 MTGFSBDVAVQPHZ-JOCHJYFZSA-N 441.536 1.327 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1740888763 VUAULVXSFLKBHP-KRWDZBQOSA-N 427.571 1.584 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1740900552 RSYRXIKUKBLZEH-GRNWLOBZSA-N 436.472 1.939 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1740935837 YEMRUQQJHJJHMF-LJQANCHMSA-N 438.532 1.323 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1741129546 FBDBUTAUNVPGNE-WFASDCNBSA-N 427.900 1.764 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@@H](C)C#N)CCC2 1742500969 KVOJNLCJWJIXOT-XIRDDKMYSA-N 431.566 1.859 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2COc3ccccc3O2)CC1 1748979205 XQJQFWMAKPAWGG-RTBURBONSA-N 441.532 1.597 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCc2cnn(C)n2)CC1 1748999150 KJRLLHSURSFDCC-UHFFFAOYSA-N 434.548 1.682 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1749222232 DIMYTVBAHPKIGX-OAQYLSRUSA-N 442.612 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749664008 VGRIAXKCKOILIO-OAHLLOKOSA-N 442.545 1.362 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCCc2ccccc2)C1 1749712639 KDEJUPQSYQUKBM-UXHICEINSA-N 425.533 1.922 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCS2)CC1 1760268911 QZJJHPCKHXKZDC-SJORKVTESA-N 430.578 1.481 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)C(=O)C1 1760283766 ABNYMTMUSSIIKR-UHFFFAOYSA-N 444.586 1.447 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1760300135 AHABOKJNLYVEML-UHFFFAOYSA-N 434.298 1.503 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760374816 ANNUMKKXFGQGIJ-KRWDZBQOSA-N 443.939 1.742 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 1760527524 ZOXMCBKNLHICPC-INIZCTEOSA-N 443.577 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760554818 NSIKYFOORCTZPN-UHFFFAOYSA-N 446.577 1.435 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1760690871 GTWSCKRZFPANHW-AWEZNQCLSA-N 434.504 1.314 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1760692574 BNLPEBXVBUWEML-HOTGVXAUSA-N 442.611 1.147 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)CC1 1769944053 DMOHJJSGTMFYQE-UHFFFAOYSA-N 448.531 1.578 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C1 1771251901 CBYHTZRALHTZDW-RXVVDRJESA-N 440.548 1.779 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1771356312 FQMLTSFZOMCCHT-QGZVFWFLSA-N 428.518 1.062 30 10 IDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)OC[C@@H](C#N)Cc1ccc(Br)cc1 1850657503 SAGNNNBSDXEBGA-HIFRSBDPSA-N 429.292 1.278 30 10 IDEE COc1ccc(CN2C[C@H](C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cc1 1851529259 WKXYWDKURYNRQO-CYBMUJFWSA-N 447.435 1.914 30 10 IDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)N1CC[C@@H](N2CCC(C#N)CC2)C1=O 1857294282 OTPLXYSKHONEEH-HUUCEWRRSA-N 426.464 1.994 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C=C(C)C 1857346499 CCZMYWRQAKITAI-GOSISDBHSA-N 431.514 1.476 30 10 IDEE C=CCN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 1858033055 AYUURADHBNBEBK-UHFFFAOYSA-N 431.470 1.426 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1 1858962459 GGPBBVDSAARPJN-UHFFFAOYSA-N 432.454 1.682 30 10 IDEE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(C#N)cc1 1866608193 CXJIMQPGGBNQLO-OAHLLOKOSA-N 447.495 1.863 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1868824045 VGLWMINKUMRIQN-QUCCMNQESA-N 434.558 1.835 30 10 IDEE COc1cc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(OC)c1OC 1870148751 BMGAPEYZGPLTBC-GFCCVEGCSA-N 442.476 1.750 30 10 IDEE C=CCn1c(C(=O)NCCCCCO)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593002 AWLMZSCQOFTFCK-UHFFFAOYSA-N 429.521 1.853 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2022828532 XYERHRIQYQWTAN-KBPBESRZSA-N 442.488 1.278 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(C[C@@H]2CS(=O)(=O)CCO2)C1=O 2069462893 SZRWRZKGKCNLJT-HUUCEWRRSA-N 439.559 1.185 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(C#N)cc2Br)[C@@H](O)C1 2197487564 IKGISJRIBSEKFW-KSSFIOAISA-N 440.294 1.992 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2247572063 QZJYVTQKTZFSRJ-UMRPUCSYSA-N 437.537 1.780 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@H]2C1 2248404022 HVQJYSSIIVKZLU-QWRGUYRKSA-N 436.343 1.311 30 10 IDEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C[C@H]1NC(=O)OC(C)(C)C 2255705902 BHVADMWOTBEOCA-HIFRSBDPSA-N 436.314 1.943 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1CNC(=O)OC(C)(C)C 2255806669 IQIUKTQLZJLZPZ-UKRRQHHQSA-N 434.346 1.752 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255823359 UEDZVBTVOYWHQZ-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE C[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC[C@@H]1NC(=O)C(F)(F)F 2267269400 DJHQYICAELBKBV-DOMZBBRYSA-N 441.259 1.910 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267605569 OWVXRKNMIANNGI-UONOGXRCSA-N 449.361 1.490 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073197 HMUGIGINLUCEBQ-RHSMWYFYSA-N 443.309 1.508 30 10 IDEE CC1(C)OB(c2ccc(F)c(CNS(=O)(=O)C3CC4(C3)OCCO4)c2)OC1(C)C 2295335871 OQAROQXPOSSEPY-UHFFFAOYSA-N 427.303 1.450 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CCO)COCc1ccccc1 2320448464 RBSVHBKYYUBEII-KRWDZBQOSA-N 429.326 1.417 30 10 IDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@H](O)c2sc(Cl)cc2I)CC1 2367814841 KBGIWERUIKSYBI-SCZZXKLOSA-N 445.731 1.947 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1 30993717 CJEFHYUPAQFVIB-QGZVFWFLSA-N 442.497 1.414 30 10 IDEE C=CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(C(=O)OCC)ccc21 44360512 RTLRXWNDOSJSQY-FZFLATATSA-N 437.543 1.917 30 10 IDEE CC(=O)Nc1cccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)c1 170178889 YMRDNTHIODHALK-UHFFFAOYSA-N 445.527 1.990 30 10 IDEE C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 267326327 JIEVJXRUYDZFTD-QQLGUCCJSA-N 448.468 1.945 30 10 IDEE biogenic CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)CC1 443350521 XWTKVCXICSGJSS-UHFFFAOYSA-N 425.533 1.388 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)CC1 467852962 RBTAQUFMXQQBEL-TXCZRRACSA-N 443.447 1.747 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 480697520 LHELZFHAEYIRKD-UHFFFAOYSA-N 427.548 1.330 30 10 IDEE CC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1CC(F)F 498856026 XDLPZQYCSDAVJF-NVXWUHKLSA-N 433.459 1.951 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 502709629 APHPIAFHZAIPRT-NRFANRHFSA-N 435.546 1.922 30 10 IDEE C=CCNC(=O)CN(CC(=O)NCC=C)S(=O)(=O)c1cc(Br)ccc1C 507429772 QBXZMMBRIUUQRI-UHFFFAOYSA-N 444.351 1.353 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CCOC)[C@H](C)C1 508833908 RBCGAYRNVGSSSJ-MRXNPFEDSA-N 447.609 1.890 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 514918433 IVKCKYWWWCEIBL-IBGZPJMESA-N 445.564 1.522 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 549291673 IAHHTWDGKMIPMH-QGZVFWFLSA-N 449.581 1.737 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 574961881 GWMGBRACYANJQY-UHFFFAOYSA-N 448.574 1.952 30 10 IDEE Cc1nc(=NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)n(-c2ccc(C#N)cc2)[nH]1 612620305 COJVMTSUCFMQQE-UHFFFAOYSA-N 448.508 1.896 30 10 IDEE CCOC(=O)c1c(NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(C#N)cn1CCOC 619796580 KPYMBBUNPMNZJJ-HNAYVOBHSA-N 448.520 1.872 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 680517610 PBEILQSEINXKRZ-UHFFFAOYSA-N 446.507 1.543 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccoc3)c2=O)cc1F 727417355 JGOPQLDCHGMUHL-UHFFFAOYSA-N 441.484 1.915 30 10 IDEE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 740847371 QOKFUCDVROYOHD-OAHLLOKOSA-N 441.575 1.179 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N([C@@H]2CCOC2)C1=O 751685118 WYXYUOCBLNEZSL-MOPGFXCFSA-N 430.574 1.964 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)c1cc(C#N)cn1C 751730892 HDOPJIXHUWODHX-UHFFFAOYSA-N 430.486 1.283 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 765299853 GVQILIBWVZDACY-NRFANRHFSA-N 434.943 1.900 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 765711395 RHJXKHWKOPGMMB-BLLLJJGKSA-N 433.452 1.667 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ncn(C)n2)C1=O 768422883 VMRYVWRZLGOUPE-HNNXBMFYSA-N 449.968 1.668 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@H]2COC3(CCOCC3)O2)C1=O 776743086 QZEKJPNVBBPFMH-RDJZCZTQSA-N 433.530 1.985 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCc3ccc(C#N)cc3)ccc2F)CC1 801506975 CKYLARLXGUTYBZ-UHFFFAOYSA-N 445.472 1.907 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2c(C(=O)OC)cc(OC)c(OC)c2OC)CC1 801693478 PQBOKQHHFBNMJK-UHFFFAOYSA-N 433.461 1.492 30 10 IDEE CCn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1CCOC)CC2 802414219 TWTSZOQFACOITH-UHFFFAOYSA-N 435.488 1.514 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1C#N 804519738 HFVUTIOUQTVGOG-UHFFFAOYSA-N 436.512 1.456 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 812179416 NMDJIXKVQNKPRK-CVEARBPZSA-N 434.541 1.830 30 10 IDEE COc1ccc(-n2cnnc2SCC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 916177825 AMNHVBWZFVFVTK-UHFFFAOYSA-N 443.510 1.886 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCCOc2cccc(C#N)c2)CC1 919012023 ONKHZEGLBKQCCD-UHFFFAOYSA-N 432.502 1.921 30 10 IDEE COc1cccc2c1OCCC2=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 920367357 BRSPPRKPUMZTEO-UHFFFAOYSA-N 431.518 1.625 30 10 IDEE CCC(C)=NNc1nc(SCC(=O)N2CCN(Cc3nnc(C(C)C)o3)CC2)n[nH]1 1083947068 GFSOZLPZSZRWHH-UHFFFAOYSA-N 435.558 1.945 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC2=O)cc1Cl 1151300603 WLFGOCQOVIJORX-JSGCOSHPSA-N 433.814 1.699 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(CC#N)CCOC)CC2=O)cc1 1160823052 LVTYLRUKFKBXOU-MRXNPFEDSA-N 436.534 1.069 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 1177602074 GDSQSTOWGZGMEU-SJLPKXTDSA-N 435.546 1.707 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1286376841 OSSQQFFMEGOSDR-MSOLQXFVSA-N 444.561 1.196 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1286393729 MMGALRNONVRVIG-INIZCTEOSA-N 444.561 1.036 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1286420048 KVGKUUQSZBXJRS-OALUTQOASA-N 434.610 1.616 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cn(C)nc1-c1ccccc1 1286469116 REJAKFIANKYIEP-UHFFFAOYSA-N 447.543 1.935 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1286560859 JOAQIQNIRHADGX-PXNSSMCTSA-N 427.553 1.513 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286651625 HNHBVCRRFWKOPY-GOEBONIOSA-N 445.611 1.116 30 10 IDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1286739731 MQCXPDXHDDEMKI-CQSZACIVSA-N 435.575 1.859 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)C1 1286800794 RASDLLVWJOHZLF-NVXWUHKLSA-N 449.581 1.179 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccsc2)C1 1286800829 RMAMWLFVCSEIHG-GDBMZVCRSA-N 425.580 1.974 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286820775 RNVOPHOPTJJWEI-WBVHZDCISA-N 434.566 1.630 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(F)(F)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825366 QGSMDUNQUHXYFE-KRWDZBQOSA-N 434.509 1.765 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825520 RSJHNHIOKLWNMY-LPHOPBHVSA-N 444.623 1.861 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1286977775 OOYHQSXVRLFRSF-UHFFFAOYSA-N 440.548 1.910 30 10 IDEE CSC1([C@H](C#N)N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1288177308 DFVWISBOPWKTLQ-SFHVURJKSA-N 437.587 1.886 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC3CC3)CC2)n1Cc1ccc(C#N)o1 1288828506 DYDSTIQKOSFUKY-AWEZNQCLSA-N 448.549 1.797 30 10 IDEE C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1291077635 DSXZQDJUHHYNBE-KKSFZXQISA-N 444.561 1.449 30 10 IDEE CCC1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1293445798 NRCBLTFOMJYCSP-HTXNQAPBSA-N 429.525 1.569 30 10 IDEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)COc2cccc(Br)c2C#N)cn1 1296322459 CLCYCIBGYHIMJZ-HAWMADMCSA-N 437.319 1.765 30 10 IDEE CN(C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1298094452 BTNPMUXJPOKEBL-RTWAWAEBSA-N 440.548 1.810 30 10 IDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1298740381 GWWAOZICVSIIMV-UHFFFAOYSA-N 436.520 1.279 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C#N)o2)CCO1 1299153781 BTNTXQWMYZEMHZ-IBGZPJMESA-N 436.472 1.630 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1300311631 URSXJUPGQATYLD-PNLZDCPESA-N 448.568 1.111 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H](C)C1 1300655194 RLVGCPCLWFHOSV-IBGZPJMESA-N 449.563 1.739 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(N)=O)C1 1300893507 ZVDALMPDAHPQBM-VKJFTORMSA-N 444.561 1.562 30 10 IDEE COCCN1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301915044 RTOZRGZZEFQWHQ-VZCXRCSSSA-N 443.552 1.231 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1303507664 WSJLLEXEKICXNP-LAUBAEHRSA-N 434.541 1.210 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1303941190 OCKNNHIZWZWIIS-KRWDZBQOSA-N 432.488 1.935 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1305249157 IAKBEDUWQABMLI-AOMKIAJQSA-N 425.537 1.709 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 1308066277 VOBZLQNLSGLXJE-VWNXMTODSA-N 427.593 1.295 30 10 IDEE C#CCC1(NCC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)CCOCC1 1308087550 CCWSKUWBWPVPCI-UHFFFAOYSA-N 433.553 1.482 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3cccc(C)c3)cc2)CC1 1312081818 QUTWXVFGMOOAGS-UHFFFAOYSA-N 426.542 1.957 30 10 IDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1315156939 OZXUWKLYMGXVSQ-INIZCTEOSA-N 439.520 1.025 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1315355486 NVKQBNBFMFIFKR-PXNSSMCTSA-N 443.504 1.887 30 10 IDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)CC(C)(C)S(C)(=O)=O 1339542403 RSDBVFFYUHCAHJ-UHFFFAOYSA-N 426.564 1.794 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(N2CCOCC2)CCSC1 1358870159 HDCYDXRTWGXOSF-JTSKRJEESA-N 448.637 1.862 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358960615 ILSNPVUCJUJTPF-MRXNPFEDSA-N 430.534 1.321 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358966175 JEPOMBSWPZVBFQ-CRYYWNKWSA-N 426.608 1.406 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(=O)(=O)NC 1358972652 MYWWKOGQIIKBOM-UHFFFAOYSA-N 431.587 1.898 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCOC1 1359015855 HIXQGPVKMKUOBO-GOTSBHOMSA-N 444.507 1.861 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1359061586 GVAADOBTLPHDHH-KRWDZBQOSA-N 433.509 1.314 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1359614790 QWZRBEKYODSGOY-DEOSSOPVSA-N 449.559 1.990 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCCC2)CCOC1 1360348041 RKCAQGFOVGBYQK-XMSQKQJNSA-N 432.569 1.922 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(C)(=O)=O)C1 1360783200 FJSXATWWEHKQTG-IBGZPJMESA-N 432.506 1.353 30 10 IDEE C#Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1 1436734030 YBQMKEQSXLHSRL-UHFFFAOYSA-N 425.510 1.451 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c1 1442616335 PYXSMDZZGCISOR-UHFFFAOYSA-N 439.537 1.562 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CC2=O)cc1Cl 1461754666 OKOHQWSQYSAFSS-RDJZCZTQSA-N 429.908 1.971 30 10 IDEE C#CCN(CC(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)C(=O)OC(C)(C)C 1465726841 XYEWIWCRHRMALU-AWEZNQCLSA-N 435.502 1.627 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2Oc2ccccc2)CC1 1468366448 RXCABSWSXSCQKX-UHFFFAOYSA-N 428.514 1.774 30 10 IDEE COC(=O)[C@@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(OC)c1 1470148960 XGXVIEFSSWAXSW-DJJJIMSYSA-N 445.497 1.543 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1470356261 NCVYJIHHTCAALK-SFHVURJKSA-N 433.557 1.604 30 10 IDEE C[C@H](CC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1470491571 MTBFDDLCDHYCGH-SJORKVTESA-N 448.589 1.606 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1471983737 GWKMGCVSNAUUJT-HOCLYGCPSA-N 431.493 1.862 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1501217810 HOZKJQXEJGKYHP-QGZVFWFLSA-N 439.520 1.217 30 10 IDEE COCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504551206 CNKBMGUHRHYUDQ-KRWDZBQOSA-N 442.568 1.695 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCO2 1504886197 AGPIPLMCZGIPML-UHFFFAOYSA-N 426.477 1.544 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507530389 XURAKVSEROYAAS-ZBFHGGJFSA-N 425.459 1.790 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1507536855 FKCQDLSGWKTPTR-BEFAXECRSA-N 443.529 1.863 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507633477 FAQHIBZIUDZTKW-HXUWFJFHSA-N 440.573 1.153 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(OC)CCOC1 1507637823 UOKRBISGHGVUCH-JOCHJYFZSA-N 441.919 1.740 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1507669352 WDVOIJHNARYTKA-UHFFFAOYSA-N 437.525 1.219 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1507711935 MKIKVBKOQCOAJF-UHFFFAOYSA-N 433.578 1.843 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507713464 KQZHRYVGVQOTTH-REWPJTCUSA-N 442.564 1.954 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)c(F)c2)CC1 1507715476 BLQJVLMXRVHITR-UHFFFAOYSA-N 440.523 1.660 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507756500 VURGZIKMUODTRJ-PXNSSMCTSA-N 430.622 1.586 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(O)CCOCC2)CC1 1507897546 RQPCHOMJTMXIGV-OAHLLOKOSA-N 427.571 1.222 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1508073974 ZXMKCPSEZNFGDA-UHFFFAOYSA-N 436.438 1.870 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)NC(C)C 1508074733 RRIRSHZZCWFSCP-UHFFFAOYSA-N 434.928 1.870 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508091635 MZZZGORQMOZQRU-GOSISDBHSA-N 447.561 1.399 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC[C@H]2C)C1 1508129363 DRIGLCZMBXTWFZ-WOJBJXKFSA-N 429.569 1.642 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1516069809 QNUVWBOJXAJAKN-KIJUOZEOSA-N 445.524 1.643 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CCOC)c1 1517496060 RATHMKKYUDYXIZ-LJQANCHMSA-N 426.521 1.946 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1517575556 BIGQHTVIWOLFGT-IBGZPJMESA-N 425.537 1.236 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1529510795 HWSXUPGMPDBUAP-MRXNPFEDSA-N 448.524 1.658 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1532528997 HFXLYHKHOLKDSI-LBPRGKRZSA-N 445.950 1.860 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1539231531 SXGIKJQECWMJNN-GBESFXJTSA-N 435.594 1.631 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(F)ccc2OC)CC1 1539481758 NWYPZPMSXXVILF-QGZVFWFLSA-N 441.507 1.944 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1539705413 SLCJXJUKRMFOOO-OAHLLOKOSA-N 445.611 1.007 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(O)cc2)CC1 1539847350 DMFSOQVZUZKLRP-SFHVURJKSA-N 433.534 1.521 30 10 IDEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539882147 SZZLRHZVCOTNJS-OAQYLSRUSA-N 432.546 1.906 30 10 IDEE COc1ccc([C@@H](CNC(=O)c2nc(O)c(C#N)cc2C)N2CCOCC2)cc1OC 1540676433 AKFKINVOUQYJDL-QGZVFWFLSA-N 426.473 1.788 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1540870643 ROKPJIVICPZBOS-ZDUSSCGKSA-N 439.442 1.710 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2)C1 1540904466 NIBCWNCGAREXFN-MOPGFXCFSA-N 432.546 1.961 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](OC)C1 1540907191 NVLQPKUVXJVPJZ-SFHVURJKSA-N 431.518 1.555 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOC(F)(F)F 1541935872 UCQVGROWUHDENI-DOMZBBRYSA-N 438.476 1.945 30 10 IDEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1C 1545024296 MFKLTCJSUQYTNN-IWKHNONTSA-N 441.536 1.204 30 10 IDEE N#Cc1cccc([C@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C(F)(F)F)c1 1558063524 QGJLXXJQOUQSBD-DZKIICNBSA-N 429.420 1.313 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)CC1 1564495367 BAWJXLZIIJPZBV-UHFFFAOYSA-N 428.917 1.306 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 1564616135 HMBVLXVFZBNRMO-RBUKOAKNSA-N 434.562 1.165 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 1569001578 VEFGZHUOVOUBDM-LJQANCHMSA-N 428.470 1.369 30 10 IDEE Cc1ccc(C(=O)NCCCNC(=O)c2ccccc2F)cc1S(=O)(=O)NCC#N 1587238164 IMFUDTQJZYUEOW-UHFFFAOYSA-N 432.477 1.486 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1588028922 ARDKRCBWGPBUCD-LJQANCHMSA-N 443.573 1.826 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1588058925 FOWREJJUVRDUBW-CQSZACIVSA-N 436.607 1.956 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1588180360 CVLQCRLJVVXLKY-OAHLLOKOSA-N 434.591 1.667 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 1595050390 GEXJPMGKALXOGX-MAUKXSAKSA-N 426.496 1.867 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595523014 MLKMITKHEYJTFT-UHFFFAOYSA-N 436.442 1.975 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1595544166 FSRNHXAIAMPKTG-HOTGVXAUSA-N 445.524 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C)C1 1595760091 KGGYWHDHRRVXLR-QGZVFWFLSA-N 447.561 1.973 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)C1 1595947808 DWCAZDICAJQYGS-GFCCVEGCSA-N 430.310 1.751 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](Cc3nn[nH]n3)C2)C1 1595947809 DWCAZDICAJQYGS-LBPRGKRZSA-N 430.310 1.751 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H](C2CC2)O1 1612916621 CUZFYWULENFBKJ-RDTXWAMCSA-N 430.534 1.370 30 10 IDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)OC 1613656184 CPABFEZUBJDDIV-ROUUACIJSA-N 439.520 1.710 30 10 IDEE CN(c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1617738425 KFBYJILEGHUMCC-RMYFCYLKSA-N 425.518 1.808 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1619615936 MQYLIFRFIDWTSG-MOPGFXCFSA-N 425.468 1.903 30 10 IDEE COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1620450929 KBGRHYPMWNQPKA-NRFANRHFSA-N 442.541 1.368 30 10 IDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1)c1ccc(Br)cc1 1625078185 RNTYGUIFPBSUAP-HNNXBMFYSA-N 440.319 1.806 30 10 IDEE C#CCN(C(=O)/C=C\c1cc(Br)c(O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1626434191 FYOJQEZMKKMQDM-DSYXLKISSA-N 428.304 1.825 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 1627531844 CCSLTQSPPXHQIN-SDNTUTLCSA-N 434.518 1.349 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 1629160689 VLHRZHMJJNSBTH-NRFANRHFSA-N 439.537 1.468 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 1633651571 ZBCYQCUTZSFRPK-CXAGYDPISA-N 447.538 1.290 30 10 IDEE Cc1ccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1634647532 JHLMXRCLBOMJRZ-UHFFFAOYSA-N 443.397 1.824 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 1636401906 CUUDKLBPUCLQAW-QGZVFWFLSA-N 435.546 1.786 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640916139 LIMCTQHCWHJSHO-UXHICEINSA-N 431.452 1.827 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1)C(=O)OC 1641798962 CTRYYKXCQZYMJW-QGZVFWFLSA-N 447.513 1.806 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@@H](O)C1 1643023768 RQFAROQUWRPGHY-NJAFHUGGSA-N 428.489 1.398 30 10 IDEE COC(=O)[C@@H](Cc1ccccc1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1643596269 HRHKNFJPDMGGRP-FGZHOGPDSA-N 438.503 1.908 30 10 IDEE Cc1cc(C2(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCOCC2)on1 1648323365 BTPGLDFYUQTCBA-UHFFFAOYSA-N 432.502 1.624 30 10 IDEE C=CCC1(O)CCN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 1654838777 ZUODQVDMCLTVLV-OAHLLOKOSA-N 425.551 1.676 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1660647843 VBNCIMYBAWJXRI-GOEBONIOSA-N 436.477 1.773 30 10 IDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(=O)N1c2ccccc2C[C@H]1C 1686489101 FHEQWKVMBKBZNY-IKGGRYGDSA-N 433.516 1.935 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1689853178 PYHZOGHNQREJJV-LPHOPBHVSA-N 447.561 1.320 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1689888905 UFPCWMBAFLIZHS-GOSISDBHSA-N 429.569 1.023 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1689928539 QFFZNYJDEBRHID-HOTGVXAUSA-N 426.525 1.471 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1689987937 FWSRIVKWNGRLDT-INIZCTEOSA-N 443.533 1.212 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1689998119 BUSNWJZFBLEUPF-HRCADAONSA-N 442.632 1.605 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCc3ccccc32)CC1 1690112408 XIZRLDWHDINFOY-CYFREDJKSA-N 439.560 1.591 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1690171116 WUDWGPYAURPJRZ-UHFFFAOYSA-N 444.561 1.677 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COC)C1 1690251050 ORKCGJVUFRKECC-SBHAEUEKSA-N 430.553 1.973 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 1690256735 UOGZPROKVHBQCG-GJZGRUSLSA-N 433.600 1.116 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1690399484 YPJUKLHZCHOSLU-QFIPXVFZSA-N 443.552 1.874 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1690527965 VKXRNQFNUAQDJI-ZDUSSCGKSA-N 444.483 1.590 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1690528267 YRTOCXQUSOWPKX-AWEZNQCLSA-N 426.568 1.323 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690662298 XWZRZNYPZTZKOZ-HXUWFJFHSA-N 434.447 1.550 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690681357 NYEJCHJZBRZNRR-INIZCTEOSA-N 426.521 1.696 30 10 IDEE CC(C)OCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692620802 UZOAIGYLDQXOJB-CQSZACIVSA-N 446.533 1.140 30 10 IDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)no1 1694581004 JLBZEOPEETVCRL-UHFFFAOYSA-N 443.533 1.876 30 10 IDEE CCCNC(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695426163 AIWQIXPDGIVIHE-UHFFFAOYSA-N 432.488 1.791 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCOCC2CC2)CCO1 1698492579 HZBFXKKKABAENG-INIZCTEOSA-N 430.534 1.815 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705679500 PVKXALKLWSDEJI-UHFFFAOYSA-N 446.309 1.860 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705753836 JYNGTDUNYHUSSA-LZQZEXGQSA-N 436.988 1.913 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705869969 KNCKQMKANXSLNV-FCEWJHQRSA-N 425.555 1.405 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(O)CCOCC2)C1 1705915093 AFTFYJJBKIPDQN-XMSQKQJNSA-N 436.553 1.643 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnn(C)c1 1705937209 MKXNBAOTIJYAHE-UHFFFAOYSA-N 435.579 1.605 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)cs1 1707755544 RJQBOUUAWPDGGO-QGZVFWFLSA-N 442.542 1.137 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1710065405 JBXATIYLDVXCHO-BGYRXZFFSA-N 426.521 1.737 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)N(C)C 1710748778 COFVFXWVSIUDNM-GOSISDBHSA-N 448.549 1.156 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1710983670 FGKPQCWAWYZICI-QFIPXVFZSA-N 440.504 1.203 30 10 IDEE CO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712670447 OUJDSGYRUQBZJE-RAJOGRCSSA-N 428.518 1.682 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1712883862 BBBAVZWJZYYVDX-CQSZACIVSA-N 445.409 1.990 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CCO1 1712884445 MFWQNPQTUXXNJD-CVEARBPZSA-N 428.468 1.470 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1722588351 QVWJAGFBAQZDIG-QGZVFWFLSA-N 449.581 1.640 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1722608430 DBZCSDGWGUNXKQ-MRXNPFEDSA-N 437.570 1.473 30 10 IDEE Cc1noc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)n1 1726438176 GMTVJUFFCXTKFU-INIZCTEOSA-N 433.538 1.635 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCSc1nccs1 1740532909 MROCYZXWVLNWCE-OLZOCXBDSA-N 428.609 1.985 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCSc1nccs1 1740532910 MROCYZXWVLNWCE-QWHCGFSZSA-N 428.609 1.985 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1740552980 PQFZFXCBURXFKA-OCCSQVGLSA-N 425.461 1.683 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1740685021 ILMVOVWJUJIPQQ-IBGZPJMESA-N 447.561 1.562 30 10 IDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740690586 KRJKVIUDVDXVJC-UXHICEINSA-N 449.559 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(COC)c2)CC1 1740692865 QAFFACCFKRDDRG-XMMPIXPASA-N 439.560 1.880 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(C)=O)C1 1740716689 WUWVQJZXDKXENH-OAHLLOKOSA-N 430.534 1.477 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 1740753070 FGYOQBGJGJLFAV-QFBILLFUSA-N 445.545 1.266 30 10 IDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1740796808 HQWGWLOWLNMIMC-UHFFFAOYSA-N 436.534 1.693 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccncc2)CC1 1740825948 VLMFAYJGMCDURI-GOSISDBHSA-N 432.550 1.405 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1740875586 GJRPDIFLHAQFBV-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CCCS(C)(=O)=O 1740955717 DRHMGVJRIBBQQY-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(C)C)C1 1740995626 RXCRGAVPAJYXPX-BZSNNMDCSA-N 442.582 1.464 30 10 IDEE Cc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1742439814 CUWDEBNFYXDVMH-MAUKXSAKSA-N 432.550 1.564 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748808209 BJAWXCCITFUFMD-GOSISDBHSA-N 443.548 1.973 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748812662 YUQYUBMRZZCILP-WMZOPIPTSA-N 442.545 1.796 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCC(=O)N1CCOCC1 1748837659 LVELDZFRYICJTA-UHFFFAOYSA-N 428.496 1.815 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1748863657 CBOHBVFGPYBTSV-IRXDYDNUSA-N 448.618 1.716 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1749342529 HZZXJVDCZTYFST-GOSISDBHSA-N 446.533 1.526 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1749669422 KOLHGIHRQFALSB-IBGZPJMESA-N 444.580 1.559 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749672051 OLQCKWAMYBTBDN-HUUCEWRRSA-N 437.541 1.568 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1749676113 FBARAXWQQVGLHV-DEOSSOPVSA-N 432.528 1.972 30 10 IDEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)CC2)o1 1750382148 CHZJQGPJISSXSC-UHFFFAOYSA-N 430.266 1.875 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCSCCCO)CCO1 1750388948 UNXWALOONLDBKJ-AWEZNQCLSA-N 436.563 1.114 30 10 IDEE CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1751281508 GMSDJYYNYIOCAJ-QHCPKHFHSA-N 437.548 1.629 30 10 IDEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCS(C)(=O)=O)n1 1751617172 JIHJIZRSAACIFW-FQEVSTJZSA-N 432.550 1.840 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760144702 YVJUSXIQXZLLHN-QUCCMNQESA-N 443.596 1.209 30 10 IDEE C=C(Cl)Cn1c(COCC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760386646 FGWBVXWGBJQELG-GOSISDBHSA-N 426.993 1.798 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 1760440021 AKFCHMPRVAWUFH-HNNXBMFYSA-N 440.595 1.979 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1768243049 BCFFEJLMAUUCSR-UHFFFAOYSA-N 444.517 1.330 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769295996 TVTAZGSXVFEFHX-DOTOQJQBSA-N 432.504 1.354 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)N(C)C 1771213828 MZXMQOZHTYRFFN-ZWKOTPCHSA-N 442.568 1.545 30 10 IDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCN(C)C1=O 1848779746 MCYIRTYUOUFMAF-BXUZGUMPSA-N 434.345 1.906 30 10 IDEE CCc1c(S(C)(=O)=O)ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1OC 1851141501 QMANMMIEHKWNNJ-UHFFFAOYSA-N 428.514 1.890 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 1852201499 XFOVCFOXSXQGOI-IBGZPJMESA-N 425.533 1.800 30 10 IDEE Cc1cccc(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 1852746676 ILLVDIRMMJWTRG-HXUWFJFHSA-N 433.512 1.980 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 1853145285 XGYXDQIRWHIBNF-LEWJYISDSA-N 437.544 1.727 30 10 IDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)C1 1855507566 QNFRHIJEJJLFRM-QGZVFWFLSA-N 443.928 1.879 30 10 IDEE C[C@@H]1C(=O)N(C(=O)COc2ccccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855735290 IPJUKXDIIZYWDG-CQSZACIVSA-N 431.445 1.524 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C(F)(F)F)cc1 1865722298 OGAWHUXSZYPUAY-GFCCVEGCSA-N 436.390 1.100 30 10 IDEE N#Cc1ccc(COc2cn(Cc3ccccn3)c(CN(CCO)CCO)cc2=O)cc1 1870349826 FGLBYWZEPJQPAA-UHFFFAOYSA-N 434.496 1.529 30 10 IDEE C=CCOc1cn(CCN(CC)CC)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870385965 UROUONBBGQLKIM-UHFFFAOYSA-N 426.565 1.867 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCC)cn1CCN1CCOCC1 1870682259 SGPJZQIMBDPYOS-UHFFFAOYSA-N 432.565 1.260 30 10 IDEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)cc1O 1874289371 AXSLBGWBKMHSGI-ZVBGSRNCSA-N 429.458 1.737 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cc(C)ccc1O 1874433250 GWCOOEIJNVHPHK-NUGSKGIGSA-N 442.501 1.812 30 10 IDEE NC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874444811 LLASCZMVBZHZFK-KEGHGJGQSA-N 434.434 1.269 30 10 IDEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1889980834 CFPOAKOVZCCCNA-KRWDZBQOSA-N 435.415 1.940 30 10 IDEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC(COc3nccnc3C#N)CC1)CS2 1891326655 BWWAYRVGZMIQBD-INIZCTEOSA-N 440.529 1.876 30 10 IDEE C[C@@H]1C[C@@H]1[C@](N)(C#N)Cn1cnc(I)c1I 1905356412 GGMGOPTYIVYPQP-FWWHASMVSA-N 442.042 1.969 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986132524 RUMCJYAJDXOHKA-JYJNAYRXSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCOC1 2124542743 IWSWLRIDQGMJJA-ZFWWWQNUSA-N 448.329 1.644 30 10 IDEE C#CCn1ncc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c(Br)c1=O 2172898180 BPNSMXSEMLIKPN-QWHCGFSZSA-N 441.326 1.669 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2247918054 IADFCQNOXUXDMZ-IBGZPJMESA-N 441.359 1.448 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2255825770 FNYUXTXGFFSXRY-GJZGRUSLSA-N 432.330 1.553 30 10 IDEE Cc1c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255831922 DYZLRDUAPBGUMY-OKILXGFUSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256066547 DLYCSZVNLHTBPM-ZIAGYGMSSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256628733 MBGVJYHXDJMTAH-LSDHHAIUSA-N 435.330 1.558 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267515812 UMEUWQXAZUDJOB-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267605130 KXPIMWDTOCMWBV-FMKPAKJESA-N 444.341 1.761 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267872721 VEXNTIFPKAVHIC-GFCCVEGCSA-N 442.247 1.307 30 10 IDEE CC(C)(C#C[C@@H](N)[C@H](O)c1cc(Br)c(Br)o1)S(C)(=O)=O 2365208581 SQBPJRMDHZFCGX-SCZZXKLOSA-N 429.130 1.992 30 10 IDEE C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445397 PATZVWXBUVTDRF-SFHVURJKSA-N 438.553 1.838 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(F)cc2)[C@@H](C#N)C(=O)N3)C1 72445745 KMUKCYFRXLFDFB-BMFZPTHFSA-N 439.447 1.912 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@@H]1c1ccncc1 72472476 ZEFIBKAZJQMMHL-RHSMWYFYSA-N 430.424 1.533 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 102742260 FOHOJFNURZHUIY-GOBJLOIFSA-N 439.516 1.576 30 10 IDEE CC/C(=N\Nc1nnc(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)[nH]1)c1ccccc1 105381050 AKSRVYQXECRZMM-SSDVNMTOSA-N 425.478 1.456 30 10 IDEE CN1C(=O)C[C@H](S/C(=N/c2ccccc2)NCc2ccc(S(N)(=O)=O)cc2)C1=O 105609439 CTUQHCDEALXREU-INIZCTEOSA-N 432.527 1.602 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 440382489 KUXQRBYYNPEXBV-UHFFFAOYSA-N 434.452 1.628 30 10 IDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481219252 CUZDPBGYZQUSOE-JKSUJKDBSA-N 434.562 1.624 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 487445736 NPWGZCRQTLARTA-LSDHHAIUSA-N 439.497 1.140 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505666646 YFVQNCSMNFFRFL-UHFFFAOYSA-N 435.553 1.525 30 10 IDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CCO1 519273023 DAIBYWBQMRVTBU-DZGCQCFKSA-N 428.308 1.353 30 10 IDEE CCOc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)c1 525778136 WQAXODWHUMJOKM-UHFFFAOYSA-N 434.521 1.903 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc3ccncc23)CC1 531783217 CLVOPNXMYODATI-UHFFFAOYSA-N 449.492 1.578 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)n1 546918311 BZCAGCFZGCOTOC-UHFFFAOYSA-N 440.529 1.542 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC2CC2)C1 549685130 CIMHYTVEFOEBDO-QZTJIDSGSA-N 439.582 1.583 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@H]1CCN[C@H](C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 585827667 GEHGACARJUFSGH-QYLKWSRPSA-N 436.468 1.844 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-n3ncc(C(=O)OCC)c3C)cc2)CC1 603616585 IYSBLBKHHJKXIH-UHFFFAOYSA-N 439.516 1.417 30 10 IDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1[N+](=O)[O-] 609009627 IEHBJPXSFAPKFR-UHFFFAOYSA-N 444.469 1.551 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 611552217 SCAVZEIEMXACFX-FCHUYYIVSA-N 431.556 1.481 30 10 IDEE CSc1nc(C2CC2)cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1C#N 619145395 RTRKNTOYSICMMI-UHFFFAOYSA-N 429.546 1.169 30 10 IDEE COc1ccc(CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1F 732465182 DFMJMZOVJKLPRB-VXPUYCOJSA-N 431.468 1.188 30 10 IDEE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732467648 WDDNTXSABFMPMM-MXLIYFDZSA-N 427.461 1.334 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CC(C)(C)C 733057980 WBDJCABXJPGPNE-CQSZACIVSA-N 429.564 1.776 30 10 IDEE C[C@H](CC(=O)NCCCNC(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742608073 RAKBJYMHCQZZLK-OAHLLOKOSA-N 428.514 1.440 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@H](C)c1cccs1 751922348 DCMIRXWIWRKRJU-GBPRYTTRSA-N 439.607 1.312 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)c1 771205069 QPACCXLCJYLKKL-KRWDZBQOSA-N 437.315 1.824 30 10 IDEE C=CCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 780029443 HKOGVJGWNVRTOW-UHFFFAOYSA-N 433.324 1.402 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 784739715 PSASTKDFJSUPGM-RHSMWYFYSA-N 441.513 1.211 30 10 IDEE N#C[C@H]1CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCN1C1CC1 798494661 JAPQPKMBWPFZJL-HNNXBMFYSA-N 425.942 1.390 30 10 IDEE C#CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C)[C@@H]1CCS(=O)(=O)C1 809807251 ARZXIUDJFNFELA-OAHLLOKOSA-N 440.529 1.400 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H](C)F)cn1 814710577 UBHHEBYONOWGIB-UKRRQHHQSA-N 425.530 1.838 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C\c3cnc4ccccc4n3)CC2)o1 914684034 TUXXAANNMMLCMA-SREVYHEPSA-N 432.440 1.703 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)CC1 915617542 KJAVJFAOWQMXRN-UHFFFAOYSA-N 432.521 1.471 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CCN1CCOCC1 916201195 HDQAXWREKLRFIZ-UHFFFAOYSA-N 434.443 1.287 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)c1 1136327760 OUBRUSFTWUJXJB-SFHVURJKSA-N 442.516 1.486 30 10 IDEE C[C@H](C#N)CN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CC1 1137930028 YTGVDQKYPWCALB-TXCZRRACSA-N 425.551 1.807 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1141906130 ALNIUMCOSYCIQL-QGZVFWFLSA-N 436.530 1.849 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)C1 1143720274 QYWHGZHZEGLYPH-MRXNPFEDSA-N 433.472 1.991 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1151411984 POJMIMMVRAEWFP-LEWJYISDSA-N 425.489 1.081 30 10 IDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)S1(=O)=O 1160518687 GFYFPBZGHNIMNB-CNMMBJAOSA-N 425.551 1.807 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCN(C)C)c(OC)c2)c1 1162114575 NYTZDLCHONYCRZ-UHFFFAOYSA-N 431.514 1.799 30 10 IDEE Cc1cc2[nH]nc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2c(=O)n1C 1162753671 GZHQFTJIGYDUGP-UHFFFAOYSA-N 428.474 1.027 30 10 IDEE CC(=O)N1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 1184167083 MPUPOQYLUZXIAC-UHFFFAOYSA-N 441.513 1.144 30 10 IDEE N#Cc1ccc(OC2CN(S(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)cc1 1189039402 BKDKOIYTNIHUSO-UHFFFAOYSA-N 427.482 1.972 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 1228656310 YHTIZKRKCZGNBR-UHFFFAOYSA-N 428.470 1.792 30 10 IDEE C#CC[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1230737303 JKMGFECLJBSDCY-SFHVURJKSA-N 434.562 1.202 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1286390050 VWGZXBLSIXOMKK-INIZCTEOSA-N 430.559 1.724 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1286710663 BLCMYTIDONAGTC-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE C=CCN(c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1286737789 WHJAYMRAFFODSN-UHFFFAOYSA-N 448.618 1.797 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2CCOC2)CC1 1286789477 DXWHVLLZBLTMGM-IBGZPJMESA-N 427.553 1.695 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)CC[C@@H]3C2)cc1 1286793698 JVMLJCMCUFPTRI-GOSISDBHSA-N 438.532 1.840 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286818764 NNBRWUJOJONPGE-JKSUJKDBSA-N 432.550 1.132 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC2CCCCC2)cs1 1290435546 UBROVDQCSBQADO-QGZVFWFLSA-N 429.550 1.812 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)s1 1294915796 LVQWHWBAQNQUGC-HUUCEWRRSA-N 432.589 1.323 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1295543415 HYGHQYKPMORURP-UHFFFAOYSA-N 430.578 1.744 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)s1 1296626998 ZHCZYRUQRNXXNY-UHFFFAOYSA-N 428.580 1.407 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1(NC(=O)OC(C)(C)C)COC1 1300275228 RWBHIJYQUAFSAX-CVEARBPZSA-N 437.541 1.754 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1300579368 ULYBTZWCZDZDFH-PMACEKPBSA-N 431.606 1.764 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(S(C)(=O)=O)cc1 1300664543 QRCMLWZMCKSDIF-UHFFFAOYSA-N 428.518 1.216 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cnnn2C)CC1 1300710136 TVEHZDZSAPNLQG-UHFFFAOYSA-N 438.561 1.511 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC)C1 1300877118 WGFKQILMFPJPGH-BDXSIMOUSA-N 441.598 1.875 30 10 IDEE Cn1cnnc1[C@H](CO)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1301183809 TZNLBUJIDHUYBS-KRWDZBQOSA-N 436.497 1.881 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1c1cnn(C)c1 1301478097 HZFGAOVYLFQXIV-KRWDZBQOSA-N 428.541 1.574 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)[C@H]3CCC[C@@H]3C#N)CC2)cc1 1302317899 FLRGQODJOVPDBG-QUCCMNQESA-N 446.573 1.759 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1302425089 AMHMWOUGTWXLLT-INIZCTEOSA-N 428.518 1.096 30 10 IDEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302510749 JASZKESKOOIZMG-SZUZZLPFSA-N 429.546 1.828 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CC(=O)NCC(F)(F)F)cc1 1302989749 SGDUGIJZHJKZGJ-UHFFFAOYSA-N 447.421 1.306 30 10 IDEE C=CCNc1ncc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)s1 1303451898 AAIJCESWVIRGPN-ZDUSSCGKSA-N 444.579 1.895 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1303635385 FEGXMCBKEPCEOJ-CQSZACIVSA-N 432.554 1.455 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305680397 KQZOBMQCYFEMAK-MBOBHEEDSA-N 449.515 1.283 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1312544680 WZJQUNKGYYSOOO-AQEOSJORSA-N 431.493 1.392 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1315823162 DUJTWWUCQKWZBE-DOTOQJQBSA-N 437.497 1.337 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1358963054 BAPZICOUJDKYDQ-GOSISDBHSA-N 429.546 1.265 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1359024157 GMJFNEHFALMOCJ-GOSISDBHSA-N 446.573 1.542 30 10 IDEE C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359155715 HLTNYTFIELEGFL-INIZCTEOSA-N 444.923 1.319 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359172348 SUCDXNYKKANRAR-QGZVFWFLSA-N 436.582 1.341 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359294791 FDQQIEHOUHNIBD-OAQYLSRUSA-N 440.529 1.134 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359304785 JHOCKWKIZIJSSX-RBUKOAKNSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359326992 PBMMPXUIULFYNX-MSOLQXFVSA-N 425.599 1.549 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCc3c(C#N)cccc32)C1 1436919113 KZJVEUQKOBZZPI-QVKFZJNVSA-N 431.514 1.729 30 10 IDEE CCOC(=O)[C@](C)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1 1460799727 GMUNASXDMNYGOJ-JOCHJYFZSA-N 425.489 1.571 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@H]2CCCO2)CC1 1460858185 GLNVVXYJJRFNAP-BHDDXSALSA-N 430.524 1.804 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCNc1ccc(C(F)(F)F)cn1)c1cc[nH]n1 1464527058 DDTQJBLRRDHDCT-UHFFFAOYSA-N 428.371 1.336 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c1 1475578743 MMFULNVTWYOHRX-OALUTQOASA-N 442.541 1.796 30 10 IDEE COCCCN(C(=O)NC1CCN(c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 1479070727 GHLKIGZDXCNPGN-LJQANCHMSA-N 434.562 1.762 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1499162646 SZYMXGBTKWBWCO-QGZVFWFLSA-N 429.550 1.401 30 10 IDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507606607 RSZAXJUEWYEYRG-IBGZPJMESA-N 439.520 1.865 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1507630139 UGYVRIJJXNQJLB-UWJYYQICSA-N 441.513 1.468 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1507653840 RPNFNQRRALTZCO-KRWDZBQOSA-N 429.521 1.506 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCCC1 1507680990 PNAYDLPLNJWQBQ-UHFFFAOYSA-N 429.546 1.854 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507756492 VURGZIKMUODTRJ-FXAWDEMLSA-N 430.622 1.586 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1507964961 NTQXQSOSLNRROV-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1508066773 WWIMFTPTPSQPDW-APWZRJJASA-N 425.555 1.121 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1508071124 BDVOXDUWQMJIGQ-OAHLLOKOSA-N 442.520 1.322 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508084152 IUWFKVMFDRNRSP-UHFFFAOYSA-N 437.548 1.405 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N2CCOCC2)C1 1508118134 WTPWSVQRPMBSKJ-NNMXDRDESA-N 435.569 1.432 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1508403298 ZYYUYMYMHHXARD-IBGZPJMESA-N 438.536 1.639 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC[C@H]1C 1518478864 FNDPZKMVYMPDRK-MJGOQNOKSA-N 426.521 1.327 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1539369170 HXFAMNJNVRODKU-IBGZPJMESA-N 443.573 1.525 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1539631708 MYFWEUMVRZFQMV-BZSNNMDCSA-N 437.566 1.528 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539803143 FKWVNKHXLDJKHP-GJZGRUSLSA-N 429.974 1.626 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnccn1 1540864041 NHFREHFUZSNVDC-UHFFFAOYSA-N 445.325 1.775 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1540879686 LLLUWOYHHYVZHC-KDURUIRLSA-N 429.521 1.879 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)CCCO1 1541661827 PUUWCMGDWZYFJO-OAQYLSRUSA-N 425.493 1.520 30 10 IDEE Cc1ccccc1C1=NO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1543121309 HSWBBSSVOYJORC-NRFANRHFSA-N 438.509 1.893 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOCC2CCOCC2)C1 1555986865 UZABEFCWDIQNIQ-NRFANRHFSA-N 434.516 1.676 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](N4CCOCC4)CC3)C2=O)cc1 1556569072 NUYFXNTZGOMWRA-UYAOXDASSA-N 439.516 1.477 30 10 IDEE N#Cc1cn(CCC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c(=O)nc1O 1565896489 AAWBBWUQLIVZKO-QGZVFWFLSA-N 437.456 1.165 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1584546097 YMMHFIJDAOLERR-UHFFFAOYSA-N 445.888 1.963 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1584883430 VMLLCPQGGWCOGU-HSZRJFAPSA-N 426.517 1.783 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1584957202 HHPIPJBFFGFEOD-LJQANCHMSA-N 442.541 1.810 30 10 IDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585132199 MIDBTYDDDNNQNW-BCSOYYNPSA-N 429.542 1.383 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1 1587667346 HQQLAPCJIPIRRE-LBPRGKRZSA-N 431.298 1.649 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4cccc(F)n4)CC3)C2=O)cc1 1587895995 FXZZIEZLFFCJHX-KRWDZBQOSA-N 436.447 1.646 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588064141 BJJUFMZMSJBORV-INIZCTEOSA-N 434.591 1.846 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1588064788 PEZYVNRUUBDFFG-QGZVFWFLSA-N 435.575 1.083 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)F)n1 1588724429 ZTHGPAWPFPJGAQ-CQSZACIVSA-N 425.415 1.274 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1589530522 WGZIXPDJVBPOSV-FXAWDEMLSA-N 427.553 1.964 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)c1 1595175739 SODMVMWRYZKKGE-AWEZNQCLSA-N 445.472 1.972 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)c2coc(C#N)c2)CC1 1596392026 BXCSTPMYYSZBBR-UHFFFAOYSA-N 437.499 1.010 30 10 IDEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)CNc3ccc(C#N)cn3)CC2)cc1 1597862631 DVPAHLHNBBRHLS-UHFFFAOYSA-N 427.530 1.944 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1619834986 RLLMTWAFFXCPBL-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)cc1S(=O)(=O)NCC#N 1626981704 SYLAHOLMNFVYEM-IYBDPMFKSA-N 449.435 1.740 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)CC1 1627608695 MZRUXCNQPRLNPN-UHFFFAOYSA-N 439.501 1.038 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)c1 1628183272 CVLZSJNUWLTLGO-UHFFFAOYSA-N 425.466 1.371 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 1628732732 GWNUEWCDXMONQZ-UHFFFAOYSA-N 430.461 1.750 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 1635159294 XYOMNIGKZKECDA-RYUDHWBXSA-N 436.939 1.415 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)c1C#N 1638116391 CAIZPSPUGRTIOT-MRXNPFEDSA-N 432.525 1.788 30 10 IDEE Cc1ccc(CN2CC[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2=O)cc1 1639941729 OAKVNJPKKSJCOU-IBGZPJMESA-N 429.473 1.962 30 10 IDEE C#CCN(C(=O)CN(C)c1ncnc2[nH]cnc12)C1CCN(C(=O)OC(C)(C)C)CC1 1644787611 AIQMGTIZRUFCOZ-UHFFFAOYSA-N 427.509 1.650 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 1645152067 PFQJONMGXIWHAZ-MRXNPFEDSA-N 429.498 1.695 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H](CC#N)C(F)(F)F)c1 1645935308 VQPULBRHZZHJKH-CQSZACIVSA-N 434.440 1.408 30 10 IDEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1647402537 DTWYTGNTDSZUPB-QGZVFWFLSA-N 436.534 1.716 30 10 IDEE CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1659473295 HJIVMAUVHPIRIJ-UHFFFAOYSA-N 444.332 1.707 30 10 IDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c(Cl)c1 1673381866 SQGVPKBMQJFXNA-GASCZTMLSA-N 440.953 1.825 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1673802809 WQXSMJPTOAATTO-FZKCQIBNSA-N 429.539 1.005 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)CC1 1674945974 UGMSUEYFHQOOBC-UHFFFAOYSA-N 441.916 1.298 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@H](C)C1 1689848235 QZRQONARJZGJGR-ZACQAIPSSA-N 428.537 1.963 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C1CCCCC1 1690015344 JDHCDDMJKRAYLI-UHFFFAOYSA-N 436.516 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690144417 YQKMAJQQZXNGSB-KRWDZBQOSA-N 442.564 1.006 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690469638 WQNDKAWTOIGTTB-AWEZNQCLSA-N 428.459 1.985 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690660833 PAODZZDFAUKBQZ-ZWKOTPCHSA-N 431.562 1.746 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690675335 XJMFCXHJJXMZIV-AEFFLSMTSA-N 440.504 1.137 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CO)CC2)cc1 1690679346 RAGNMWUWMSRRNH-MRXNPFEDSA-N 449.577 1.710 30 10 IDEE Cc1ncsc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1692915348 DPNVDZXTTWPVAW-MLGOLLRUSA-N 427.531 1.338 30 10 IDEE CCC(O)(CC)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1694415795 YSRFQMVHSBQBJK-UHFFFAOYSA-N 439.520 1.600 30 10 IDEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCO)CCOCC(F)(F)F)cn1 1696858211 RDXGPAKVJXVBRC-UHFFFAOYSA-N 449.437 1.976 30 10 IDEE COCc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1697820657 UKBNYHSRWTXIKH-UFYCRDLUSA-N 427.505 1.926 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1705495504 QSJPLTTWPUCHTD-CHWSQXEVSA-N 437.488 1.657 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1705495793 VNAWVVLWMPRDHR-BFWZDYSYSA-N 439.582 1.274 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nccn2C(F)F)CC1 1705634761 IEQQKJRPPKUGLF-NRFANRHFSA-N 449.506 1.714 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(N(C)C)c2)CC1 1705639245 JNOPZMMNYLVJNG-IBGZPJMESA-N 442.589 1.050 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705655535 GJTBNCJCNSZLBT-AWEZNQCLSA-N 425.967 1.983 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)CC1 1705732800 COELMEPPRMERTP-UHFFFAOYSA-N 428.522 1.082 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOC2=O)cc1 1705843297 BOJOJLAYSHFRMG-MRXNPFEDSA-N 431.518 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1705933567 LJXAFIICWQPSGR-IRXDYDNUSA-N 448.545 1.931 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCNC(=O)[C@@H]1CC 1705935069 GGPYQTDMVIHEMN-SFHVURJKSA-N 431.562 1.493 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1708758370 ZJBFGYRYDMBFAF-WBVHZDCISA-N 432.525 1.468 30 10 IDEE COCCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712403261 DTZJYNHLWDQGBR-RBUKOAKNSA-N 440.504 1.422 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722387663 OYLJXIXJMCFJFG-IBGZPJMESA-N 449.559 1.548 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(C(=O)NC)c2)CC1 1722439800 PTJCQALBHVJLTK-UHFFFAOYSA-N 443.555 1.621 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(C)CCOCC2)CC1 1722449816 PUGHSTMKLNEXBR-UHFFFAOYSA-N 442.564 1.183 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722604185 VKXAUIVZRNEQEU-RTBURBONSA-N 448.593 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1722729539 OBRZFTHTZBPUON-KRWDZBQOSA-N 447.561 1.180 30 10 IDEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722734684 GJBLBWQNVWIRCE-GOSISDBHSA-N 447.561 1.833 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1723911970 QFKPDYWYVOTOBK-YJBOKZPZSA-N 430.534 1.741 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1724017228 FCVAHDNTCYZSIM-CVEARBPZSA-N 434.566 1.225 30 10 IDEE Cc1nnc(N2CCC(OC[C@H]3CCCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726387551 XBPPNXXJCHVVPR-PNBGARPFSA-N 444.536 1.667 30 10 IDEE CCCN1CCC(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CC1 1728131771 IPADXKHNIWYREL-UFYCRDLUSA-N 432.569 1.853 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCS2(=O)=O)C1 1731182715 USWYEYGXZXGCNT-GOSISDBHSA-N 449.468 1.331 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740622468 DEUJZJVPGUQSSD-QGZVFWFLSA-N 444.561 1.190 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624119 COBWFBQBNJIFAW-CMKODMSKSA-N 443.573 1.563 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1740624780 JZOVCKIONDIHEA-QGZVFWFLSA-N 432.521 1.671 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740808179 BAMIMRNSYRPEGH-HNNXBMFYSA-N 425.946 1.435 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1740954993 USJKAHGXDYJPLI-KRWDZBQOSA-N 436.516 1.893 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740966382 SJWACDMNNQFHKN-JLDZCNIISA-N 446.552 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740985612 JZIKPTKYEGHHCQ-JKSUJKDBSA-N 432.612 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OCC)CC1 1740989751 XAITUXSPWJIWBZ-UHFFFAOYSA-N 433.534 1.824 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@](C)(O)c1ccco1 1747187848 GHEPBMCQDIWAFP-QFIPXVFZSA-N 437.504 1.909 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1747273765 WBYUVHCRMZQCBM-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)c1 1748289728 PDISKUKTQICCRU-NVXWUHKLSA-N 432.550 1.867 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOCC(C)C 1748672106 QHNSKEBBZGFRAP-SJORKVTESA-N 427.571 1.132 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1748697411 HMKIPDRMQGAXDS-QFIPXVFZSA-N 441.536 1.132 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCN1CCOCC1 1748790798 MNMGHVZFRANNLI-UHFFFAOYSA-N 438.580 1.634 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCCOC)CC1 1748984640 XBHYXXLZSKKHEX-UHFFFAOYSA-N 433.516 1.564 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1F 1749669561 LUXUQGFETYIYPZ-GJZGRUSLSA-N 435.525 1.819 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CN(C)C1=O 1749824877 PEZWVFZELLDIRF-FQEVSTJZSA-N 427.465 1.698 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCS(=O)(=O)C1 1750441446 FSHLHBMAYJTPAI-CYBMUJFWSA-N 430.534 1.545 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760189047 NAFHBJWANLOQKX-QGZVFWFLSA-N 444.561 1.272 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccccc12 1760249136 HYSDAZNDKINTLK-SFHVURJKSA-N 441.557 1.990 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN(C)C(C)C)CC1 1760264090 BFKXPHYMPMPCQI-UHFFFAOYSA-N 426.565 1.961 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760324254 JFUNALLGDBGHAJ-VQIMIIECSA-N 441.598 1.656 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760332733 ALIZUFQFRQJAHW-NUJGCVRESA-N 432.550 1.730 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760360504 DPPCXWSDFIJIJE-SXWKCWPCSA-N 449.596 1.896 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1760361540 MOPWQKRKRVKUON-UTKZUKDTSA-N 434.541 1.079 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760554144 SOQMLPSECWUKOD-MRXNPFEDSA-N 441.517 1.389 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1767540556 HJSOCMBAJXLCIL-QMHKHESXSA-N 438.532 1.973 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOCCc2ccccc2)CCO1 1770746694 CCYDTKKFSMARTJ-PMACEKPBSA-N 438.532 1.997 30 10 IDEE COc1ccc(-c2ccc(S(=O)(=O)NCC(=O)N3CCN(CCC#N)CC3)cc2)cc1 1850862114 ARQUUBZJQRQKAP-UHFFFAOYSA-N 442.541 1.698 30 10 IDEE COc1ncnc(OC)c1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852308834 LTXJGFKJGFQGQH-QGZVFWFLSA-N 428.445 1.302 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl)[C@@H]1CCN(C)C1=O 1852960003 OBBMCMYKSCDLGL-HZPDHXFCSA-N 425.938 1.738 30 10 IDEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)CN(Cc2ccccc2)Cc2ccccc2)CO1 1853609645 XYCVAQKHKLEWGF-HXUWFJFHSA-N 429.498 1.701 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)[C@H]4CCCO4)C3)CC2)cc1 1855640098 KQGMEHDZLYOPDL-PKOBYXMFSA-N 431.514 1.513 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C(F)(F)F)C2)CC1=O 1856788376 YQMVXLFFBCZFRK-STQMWFEESA-N 448.419 1.588 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCc4ccccc4C3)C2)CC1 1857041798 MSUPAZNELGGVKE-WOJBJXKFSA-N 429.542 1.732 30 10 IDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1857305935 KLZQVWXKSBAHIQ-IBGZPJMESA-N 433.530 1.612 30 10 IDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC3(CC2)OCCO3)cc1=O 1870387990 BVRMJGSJAYMNKM-UHFFFAOYSA-N 449.529 1.447 30 10 IDEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1870971507 JVFYPTZDCYPLMA-UHFFFAOYSA-N 439.560 1.913 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1890484354 NLKUDZQJILCDTD-UHFFFAOYSA-N 447.601 1.700 30 10 IDEE C[C@H](C#CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)NC(=O)OC(C)(C)C 1902014981 UQWVXKHSLYTKRS-OWCLPIDISA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2060640809 ZDUORTWGBMWUDH-ZIAGYGMSSA-N 430.314 1.827 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2081010511 WRKMFCQOLGWAEG-UGUYLWEFSA-N 440.346 1.412 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2085301892 WMGPAPAUWYNKNU-FQLMCAECSA-N 437.346 1.696 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545887 XDKRQOMZILOSGL-UHFFFAOYSA-N 434.346 1.658 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2255651544 XYOFWVWSXOQRLQ-LSDHHAIUSA-N 434.346 1.895 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255654827 DUNRBFXHPKGHSV-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255821984 IJYGZNVMAHGING-HNNXBMFYSA-N 436.362 1.998 30 10 IDEE Cc1c(C(=O)N(OCc2ccccc2)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834750 QKRULIYLBKJSER-UHFFFAOYSA-N 426.326 1.574 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265031 ZOXPRJXYRRCNMP-SQWLQELKSA-N 444.341 1.761 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267871409 AHSAXXGPJXGCAK-KBPBESRZSA-N 444.341 1.761 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(F)cc1C#N)NC(=O)OCc1ccccc1 2286032934 MEKVOIRTZAKTKR-QGZVFWFLSA-N 435.433 1.907 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2315532905 KJDDUFWEMBAKLW-KGLIPLIRSA-N 432.330 1.553 30 10 IDEE COc1nc(O[C@@H]2CN(C)C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339824597 NSPULNPRXONLJG-HZPDHXFCSA-N 449.357 1.976 30 10 IDEE COc1ccccc1/C=c1/c(=O)oc2n1-c1oc(N)nc1[C@@H](c1ccccc1OC)C=2C#N 35910733 DFKGPSLEMNCUEG-QMDZLVRISA-N 442.431 1.666 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(N3CCC(C(N)=O)CC3)=NC(O)=C2[C@@H]1c1c[nH]c2ccccc12 72443880 LGXLTPUOFKPVSP-BBRMVZONSA-N 431.456 1.256 30 10 IDEE C#CCN(CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 111192396 UQQGQHODPNWTJB-INIZCTEOSA-N 441.956 1.246 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2cccs2)C1 203568715 ZCNRFIPXDCQOJG-DYEKYZERSA-N 427.486 1.835 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 409786441 IRIYROCGKVJGPP-FZMZJTMJSA-N 436.353 1.317 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1=O 440270879 RIJBWAPYFCBSMT-GOSISDBHSA-N 436.516 1.855 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C#N 474358331 UUGOKHQYMQSCOV-UHFFFAOYSA-N 429.505 1.503 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN(C)S(=O)(=O)Cc2ccc(C#N)cc2F)cc1 481067925 FKXZEKOMBWMHQV-UHFFFAOYSA-N 425.507 1.746 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(C[C@H]2CCCO2)c1=O 489092691 GNYGRSWQNUZHKQ-GOSISDBHSA-N 446.532 1.934 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CNC(=O)c2cccnc2)CC1 503284107 PMCSWIRQAQBKCA-GOSISDBHSA-N 442.317 1.983 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 505678388 QXHPUJNVGVRXIX-UHFFFAOYSA-N 443.485 1.484 30 10 IDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 508880581 LZDRMSXZUWVPCL-GOSISDBHSA-N 433.520 1.946 30 10 IDEE CC(C)N(CCC#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 522585339 MHORRXKTVVYLQB-UHFFFAOYSA-N 430.324 1.953 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H](C#N)c2ccc(F)cc2)c1 531603542 ZLISDYMIYNGCPO-LJQANCHMSA-N 446.504 1.967 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549320163 MAWSMPFBVHBCLW-QYZOEREBSA-N 436.516 1.246 30 10 IDEE N#Cc1ccc(N2CCC(C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)CC2)c(F)c1 577088856 CXWUFBQVLWRROV-UHFFFAOYSA-N 434.537 1.940 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(F)cc1 603785911 AYCRIDVXWWZHQV-UHFFFAOYSA-N 443.525 1.755 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)cc2)c(=O)n1C[C@@H]1CCCO1 603798191 KFYGTWDLHJIMGU-SFHVURJKSA-N 439.537 1.293 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccccc1 609416703 RPTYRNICBJCZEC-UHFFFAOYSA-N 447.560 1.841 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 609737538 LGRVVFWIZDKOCS-GFCCVEGCSA-N 446.323 1.248 30 10 IDEE Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 726315896 PTCVJAPGOZAUHA-XQNSMLJCSA-N 432.506 1.427 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 732152759 AIPUASBAQNSJPM-MHMQGTJDSA-N 437.283 1.989 30 10 IDEE C[C@@]1(c2ccccc2Br)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732665926 ARBSGTYTGPZLJL-KUHUBIRLSA-N 432.322 1.846 30 10 IDEE COC(=O)[C@@H](OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1ccc(C#N)cc1 740201014 PQXRRYDIRMKTFT-SFHVURJKSA-N 427.438 1.396 30 10 IDEE C[C@H](CC(=O)Nc1ccc(N2CCOCC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742465093 CHXBHIOOPAIVHU-OAHLLOKOSA-N 428.514 1.979 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(F)cc2)c1=O 743725204 INCCKXVCIVLXEV-UHFFFAOYSA-N 428.514 1.831 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)CC1 745868505 WFBAZDVSJSRXRG-UHFFFAOYSA-N 428.581 1.351 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 746159043 DVODYTROCIOGIJ-FMQUCBEESA-N 430.892 1.931 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 746191559 WAEFXWFONVVTMT-MEUCICPISA-N 425.470 1.315 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O 748065101 HVPBOCKZHVUAQK-UHFFFAOYSA-N 447.900 1.990 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)c(C)o1 751738564 DSJATILQIUQAIR-AWEZNQCLSA-N 449.485 1.997 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)n(-c3ccccc3)c2C)c1=O 758056874 XYNDBEKYLQSKEN-UHFFFAOYSA-N 444.560 1.978 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 763618112 VZSHSHGECZHYLO-CQSZACIVSA-N 439.497 1.030 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1Cc1ccon1 765146024 QZYUBVOLEZNVOM-UHFFFAOYSA-N 446.492 1.255 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)C1=O 767533141 VFAGPKOKAIGJCN-GOSISDBHSA-N 427.527 1.249 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)C[C@H](C1)C2=O 767748079 YUJIABGTXMVDMC-NCIZGXFZSA-N 433.505 1.800 30 10 IDEE COCCn1c(=C(C#N)C#N)sc(=Cc2nc3ccc(Br)cc3s2)c1=O 772280639 ZAOIKYGJABXAQT-UHFFFAOYSA-N 447.339 1.955 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(C)C)c2=O)c(C)n1 781648462 HHSIDNZZTGLPJG-UHFFFAOYSA-N 426.542 1.368 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C)cc1 782886271 KJRXHFLOOOBYSR-DZKIICNBSA-N 448.545 1.519 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCc3cc(OC)c(OC)cc3C2)n1 789320747 DORRZSDDBFMHQR-UHFFFAOYSA-N 426.517 1.567 30 10 IDEE C#CCN1CCN(C(=O)CN[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 795193932 WLXRNJWYFQOZMC-XUZZJYLKSA-N 437.515 1.944 30 10 IDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2C[C@H]2CCCN2S(C)(=O)=O)c1 803194945 AHBRBPZLJUWITK-QGZVFWFLSA-N 442.570 1.983 30 10 IDEE C#CCN(C(=O)Nc1cccc(C(=O)NC)c1Br)[C@H]1CCS(=O)(=O)C1 806735071 JKLQXSBFESFZGD-NSHDSACASA-N 428.308 1.463 30 10 IDEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 916774803 DFOLYCWBFGIGRG-UHFFFAOYSA-N 435.527 1.847 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 917687747 DEXGJNLIKDSFCO-CLCOLTQESA-N 439.497 1.848 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)C[C@@H]3C3CCC3)CC2=O)cc1Cl 1130215292 CLDBINJKGTUPFW-CRAIPNDOSA-N 435.933 1.990 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cn4ccnn4)c3)CC2)cc1 1136149725 WMBMKDLKBXHLCM-UHFFFAOYSA-N 436.497 1.345 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@H]1CC(c1cnn(C)c1)C2 1153186235 XGZYYAGLGGXRKF-CCKFTAQKSA-N 427.530 1.896 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@@H](O)CC4(C#N)CCC4)C3)[C@@H]2C1 1197231040 TVZNDWBTLVWXFU-XDNAFOTISA-N 434.537 1.946 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCCCC(=O)C2=O)c1 1264676775 IDVUJIXCLVXBLO-FCDQGJHFSA-N 448.545 1.800 30 10 IDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC2=O)cc1 1266190659 FPJDPXCENFNZJM-NVXWUHKLSA-N 447.499 1.397 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1286288599 HZJXYYHFWGRIDD-HUUCEWRRSA-N 440.529 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286494612 VSUFEWYNTSRFOI-QZTJIDSGSA-N 442.564 1.400 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286559844 BATHNPZIONFMOP-NXHRZFHOSA-N 434.566 1.673 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1286562779 SJNJQYMBVNTNDG-FUHWJXTLSA-N 434.566 1.346 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286700292 LKUQGONJIMMZIM-ROUUACIJSA-N 434.566 1.557 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286716884 NTFQWJISYINALV-OAQYLSRUSA-N 449.577 1.851 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1286766034 MAVZHAKYUIHWPM-MRXNPFEDSA-N 433.534 1.266 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286785586 OOWHJJSZVLZWEA-UHFFFAOYSA-N 427.509 1.699 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286786173 ZDMHQSHXGNYFDG-CQSZACIVSA-N 443.533 1.420 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286787984 NYXLDHQSFUTQOT-HKUYNNGSSA-N 446.596 1.851 30 10 IDEE CC(C)CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1287854072 WJERPFAACDOCRW-JKSUJKDBSA-N 427.596 1.688 30 10 IDEE CC(C)(C)OC(=O)[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCO1 1290636556 QGSNJPRYKQNLAD-OAQYLSRUSA-N 449.529 1.282 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(Br)ccc2=O)cc1 1298602606 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437.324 1.988 30 10 IDEE C#C[C@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1569253924 XGQSGNSWBRGORQ-OAQYLSRUSA-N 435.546 1.226 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCN(O)C1=O 1569561165 PBYNJNHMLKYALC-DLBZAZTESA-N 437.543 1.346 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1569787499 CQXGLJBSNKJUAW-KKBVYLPWSA-N 434.518 1.207 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1583488632 FWWFJYAFLWWKKZ-WBVHZDCISA-N 427.320 1.716 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccco2)CC1 1588752741 UQXYORQNVXLTCW-FCHUYYIVSA-N 429.521 1.186 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1589294803 AIJIWUPYUZGDJA-CQSZACIVSA-N 449.419 1.717 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1589651783 HALTVCJDDPBXPA-DYESRHJHSA-N 434.610 1.840 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593740767 FBDUSHXLZHYFCN-QGZVFWFLSA-N 427.571 1.584 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 1595523494 WKDINBGRQOPRKL-UHFFFAOYSA-N 425.537 1.191 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1595530176 VSFAJCCYCVISAM-UHFFFAOYSA-N 449.490 1.943 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1595562248 RGDCVVVQCORSDK-MRXNPFEDSA-N 445.593 1.821 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c(=O)c1C#N 1611230607 DIVOUOQPQJRHKC-UHFFFAOYSA-N 444.245 1.165 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)C1 1611769176 LPSMVAHYXMGKFT-WMZHIEFXSA-N 443.596 1.767 30 10 IDEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1613608582 AUZDIZXTVJEORE-DAYGRLMNSA-N 427.550 1.205 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(S(C)(=O)=O)cc1 1613987141 CMGUBRZOHCZKQW-UHFFFAOYSA-N 438.513 1.827 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1615741170 CVUOBDNREBBBGZ-SFHVURJKSA-N 433.520 1.781 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1c(C)nn(C)c1C 1616909260 FXFWCTPZZAXZIM-UHFFFAOYSA-N 435.536 1.807 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1618092552 HSFOUMPUZAQOKJ-WIYYLYMNSA-N 445.545 1.372 30 10 IDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1620062631 CAULIRSNKSGMFZ-UGKGYDQZSA-N 443.504 1.122 30 10 IDEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc21 1622634438 WSJWTXXJEDTUJQ-FRIZHTMISA-N 437.543 1.106 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](C(=O)Nc4cn[nH]c4)C3)C2)C1 1624618532 CHTUQVPXZGFMJU-XAXZJEFASA-N 442.520 1.984 30 10 IDEE C=CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1625390250 UPQFZLZNWUWHEC-CXIVCQEWSA-N 437.562 1.975 30 10 IDEE C#CCSCC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1627342513 ZVBMLQKBUHDOCJ-UHFFFAOYSA-N 427.548 1.795 30 10 IDEE COCCN(CC#N)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1629261600 NGEHKGKTOIZORK-UHFFFAOYSA-N 446.323 1.082 30 10 IDEE COCCN(CC#N)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1629261671 OVRAIIPCAIMZDO-UHFFFAOYSA-N 431.470 1.871 30 10 IDEE CN1C[C@@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1632183713 RBNNSCRZIJQTQL-ROUUACIJSA-N 428.489 1.536 30 10 IDEE Cn1cnc(-c2nnc3n2CCN(C(=O)Cc2ccc(Br)cc2C#N)C3)c1 1632310682 SEZLIXCRIFNCGC-UHFFFAOYSA-N 426.278 1.898 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)n[nH]2)c1C 1633630996 BBKQSXRAPCNBHW-UHFFFAOYSA-N 438.492 1.384 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C3SCCCS3)cc2)CC1 1636475512 LKELXVUJSUUJBC-UHFFFAOYSA-N 425.601 1.781 30 10 IDEE Cc1ccc(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)cc1S(=O)(=O)NCC#N 1640774965 FBKYUEHIKKMKFW-HXUWFJFHSA-N 426.542 1.796 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 1643372703 XQFOZKBZXARINN-LSDHHAIUSA-N 431.436 1.301 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H]2CS(=O)(=O)Cc3ccccc32)CC1 1643920033 VKHQGVLFBRDPKB-RBUKOAKNSA-N 444.582 1.716 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CN(c3nccn4nc(C)cc34)C2)c1 1648845588 SKKCXGZOLZVGJP-UHFFFAOYSA-N 426.502 1.121 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2nc(CN3CCC(C#N)(C(=O)OC)CC3)[nH]c2c1 1658665371 CRAIMDWNMCBAOP-UHFFFAOYSA-N 433.534 1.872 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 1663144292 CXVOWUVHAUWPOG-SFHVURJKSA-N 440.566 1.694 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CC1 1665160121 TVTHVHXMMOPJIT-UHFFFAOYSA-N 442.335 1.178 30 10 IDEE COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1=O 1665565799 GHZPWLLNOTZUGI-OAHLLOKOSA-N 448.467 1.034 30 10 IDEE C[C@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 1684432805 XXAYRNRQOCOPGU-AWEZNQCLSA-N 431.493 1.938 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1689852207 CBKWKURRGFAYBT-HUUCEWRRSA-N 425.555 1.505 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1689927844 DFLHWVBWWSWIQD-YZGWKJHDSA-N 441.580 1.022 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1690037063 KSNDXFQENHDZAW-UHFFFAOYSA-N 429.528 1.444 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)COC1 1690043129 PVRZEJATHKQSEK-UHFFFAOYSA-N 426.546 1.738 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(O)c2)CC1 1690146204 IDYHLAVLDXOROC-SFHVURJKSA-N 439.516 1.510 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1690227602 CNHBIBGCPOAPMY-AWEZNQCLSA-N 435.330 1.646 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1690252714 HYZDNRPQYVWXND-QNLWLWTNSA-N 447.580 1.874 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 1690485380 RMLKOCXYLUIGJB-HNNXBMFYSA-N 429.612 1.909 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccc(F)cc2)CC1 1690729110 GUNOYUUBGJWURA-UHFFFAOYSA-N 437.541 1.881 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1690819774 OTNWCLBBZTVQKD-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1692513557 LHVITCSQPFXSMD-KPQZKFHNSA-N 427.509 1.035 30 10 IDEE Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1693510272 UVYONZQPDDDFRP-KTVWJZFRSA-N 435.532 1.824 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(C)CN(C)C2=O)c2ccccc2c1=O 1695902631 QCBPIQUEKJXIAR-WNSKOXEYSA-N 448.531 1.892 30 10 IDEE CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1695987852 GXIATZQYSGAVMU-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1696619255 WLZJEQGRXVSOGK-UXHICEINSA-N 437.548 1.642 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1705572114 QZBGUOCAROCEEC-ULQDDVLXSA-N 442.607 1.382 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1705612272 DDNWONGNCCGFOS-SFHVURJKSA-N 449.581 1.056 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C/C=C/CC)CC1 1705638447 LHYUXPDWDONNJH-AATRIKPKSA-N 427.578 1.960 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1705662432 YRNJFUSEYHSEHR-QGZVFWFLSA-N 440.577 1.130 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705700045 OBXSUESCXBQARU-GGPKGHCWSA-N 444.580 1.905 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705735350 OBVCQTCHDWTSNL-ROUUACIJSA-N 441.598 1.878 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1705761613 UPQGGBQHQTWDHA-QGZVFWFLSA-N 438.598 1.777 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1705805157 ALKKCYMQJRRNGP-GOSISDBHSA-N 439.582 1.750 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705829838 DDMSQFCEVWFKLT-DLBZAZTESA-N 444.540 1.644 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccc(C)s1 1705846552 KFEATBDRUSGTOZ-UHFFFAOYSA-N 438.579 1.371 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1705849274 IJGPMCFKSAQEHS-MRXNPFEDSA-N 445.549 1.504 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705927389 XTUBWHYXAJGOPD-MOPGFXCFSA-N 446.577 1.327 30 10 IDEE CC1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1706949531 QYWHIZJVASTRSW-KRWDZBQOSA-N 448.549 1.750 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1711240265 VPTCDNIZUZTQJO-LJQANCHMSA-N 440.504 1.203 30 10 IDEE Cn1ncc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)n1 1711282283 BNNHHOXYAIOOIO-NRFANRHFSA-N 435.467 1.932 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cn3ccsc3n2)CC1 1722432265 XTHNQRGHHPLZAQ-INIZCTEOSA-N 429.550 1.515 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@@]1(OCC)CCOC1 1722463706 KPVJXGUVNBNBMU-FXAWDEMLSA-N 431.566 1.730 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2CCCO2)CC1 1722702120 DRFRZMGUCWCGDE-BJLQDIEVSA-N 433.553 1.700 30 10 IDEE CC(C)(O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1723034686 CFCADUFDCXZNLE-QGZVFWFLSA-N 441.511 1.728 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1cnnn1C 1729066725 IFOMOAJZIKIRIU-UHFFFAOYSA-N 441.927 1.843 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)[C@@H](C)CC 1729068803 CEGHSXVSWDOGAR-ROUUACIJSA-N 441.584 1.922 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1729312364 QORMVZZBUXUVAS-UHFFFAOYSA-N 442.520 1.652 30 10 IDEE CN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1)S(C)(=O)=O 1729389052 ANTQZAYYYJYWON-UHFFFAOYSA-N 446.577 1.840 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1730925043 SUKJEPQNUYPAHG-VGSWGCGISA-N 427.505 1.864 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1740574925 OTKNYMPQLRRFDY-QGZVFWFLSA-N 429.550 1.100 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccn1 1740589822 BRWNJLITSXHBOZ-LJQANCHMSA-N 446.577 1.488 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1740684054 VGZSRASMNSCMQN-NRFANRHFSA-N 443.577 1.029 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1740685022 ILMVOVWJUJIPQQ-LJQANCHMSA-N 447.561 1.562 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC2)CC1 1740689494 DIQIHISQZQRYFI-UHFFFAOYSA-N 428.924 1.142 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740710405 WQEMIFZVHJLTCV-UHFFFAOYSA-N 436.582 1.697 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740795542 XCSQLQZJISECCQ-ROUUACIJSA-N 438.536 1.751 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740961766 HWKNFHCCINRTIG-UHFFFAOYSA-N 425.537 1.450 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCOCC2(CCC2)C1 1740993850 DZDSNLDAFMOUDX-UHFFFAOYSA-N 437.566 1.008 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1741723802 MQZXROUGTTWONK-VXKWHMMOSA-N 432.569 1.515 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1741804442 COGKALAMPHURCK-HNNXBMFYSA-N 431.522 1.359 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCS(C)(=O)=O)n1 1742704432 SHYBGDLYHZGESK-HXUWFJFHSA-N 449.581 1.331 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@@H]1CCOC1 1748788382 BNAAFSUCTVSDCZ-MSOLQXFVSA-N 449.552 1.852 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1748864511 YLHIPMULTRKZEZ-SJLPKXTDSA-N 427.530 1.355 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1748914618 HYSXRVMPAABCTN-UHFFFAOYSA-N 429.344 1.387 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1748929429 JEQIPRIHEYMGAZ-LJQANCHMSA-N 445.545 1.149 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)CC)CC1 1749015969 VBSHTPLAFKHVGQ-JOCHJYFZSA-N 427.553 1.267 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2nnc(C)s2)CC1 1749019083 KIIIPYXZKNHOCD-MRXNPFEDSA-N 429.550 1.498 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1749159849 ZZMGKVDVOVNGLD-HNNXBMFYSA-N 429.612 1.909 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749230239 VPDXNVZDEYRSMY-SFHVURJKSA-N 446.552 1.040 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1749364200 NSHBFAWEIXDVEW-HOTGVXAUSA-N 439.499 1.645 30 10 IDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CCOCC1 1749407688 GLNQHIZAOQFSKF-UHFFFAOYSA-N 447.561 1.741 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1)C1CC1 1749507894 CVOUIPHUBJDTDJ-CQSZACIVSA-N 442.549 1.877 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2Cc2ncn(C)n2)C1 1749719102 NVRDVIAYYPHTTM-MRXNPFEDSA-N 425.493 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1749724548 JXILIQXWBUEMOQ-UHFFFAOYSA-N 428.562 1.771 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749729511 MCXRIRJNGORXEW-CQSZACIVSA-N 442.538 1.308 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)CC1 1749730926 WACIRSNNDNUETP-UHFFFAOYSA-N 447.609 1.734 30 10 IDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)CC1 1750384909 UUTBAAHLQVOLIZ-KRWDZBQOSA-N 425.493 1.861 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1750387096 RALPUJAUQZLLTF-ZIFCJYIRSA-N 442.495 1.384 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCOC[C@H]1C 1750953908 GHVDTGAIRZOIEI-HUUCEWRRSA-N 439.520 1.624 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)cs1 1751783082 QJXDWOVNOFEGNS-GOSISDBHSA-N 431.566 1.475 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1760192480 JIKXUIWJXAOWDI-GBESFXJTSA-N 435.594 1.488 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1760252080 BYRQKLONQYYHDN-UHFFFAOYSA-N 432.488 1.401 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760273014 ZIQBIFQGIPHPCJ-CVEARBPZSA-N 430.534 1.532 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COC)CC1 1760323530 DEWRMIBWRADKBA-UGKGYDQZSA-N 440.548 1.540 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCSC2)CC1 1760389757 SOHMPRPFQIEISU-DLBZAZTESA-N 441.623 1.911 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760554834 ODLLKQIPBILNNN-GJZGRUSLSA-N 434.628 1.725 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1769357605 RIVGOWMRJDDGHT-MRXNPFEDSA-N 431.472 1.175 30 10 IDEE COCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1769677400 VGICFODBUAICAF-UHFFFAOYSA-N 438.536 1.420 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(OC)ccc1OC 1771221634 AJOULTLMEGLYPL-MAUKXSAKSA-N 431.493 1.796 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1771261986 OSNLRUPUTRPWSE-GWJPWWOOSA-N 441.532 1.846 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1771273109 DVJXHGMPLZVJOU-HXUWFJFHSA-N 437.504 1.582 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1771343995 ALORVZZJAOEEKO-GOSISDBHSA-N 440.533 1.512 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCSCCCO)cc1 1771533453 LWMOHNRMXAHVET-MJGOQNOKSA-N 440.573 1.895 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1772842584 SKTLYVHNTHSXDX-CVEARBPZSA-N 429.525 1.570 30 10 IDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1848439829 PMYIBONTQOBNKR-VVUJEOPGSA-N 438.492 1.415 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)cc1C 1853851209 ITLPSIPFJUMTBN-UHFFFAOYSA-N 427.482 1.939 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)[C@H](C)C2=O)CC1=O 1854614734 KEJABPDZTOGKRB-KGLIPLIRSA-N 439.921 1.123 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)[C@H]1C 1854735549 LKLAEPOSCRLESD-IAGOWNOFSA-N 437.537 1.862 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H](C)Oc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1855734063 GQYNSVCCQHDJGJ-JKSUJKDBSA-N 427.482 1.774 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)c3ccc(N4CCOCC4)cc3)CO2)cc1 1855760410 VVPGVODIVGQTJX-LJQANCHMSA-N 443.481 1.556 30 10 IDEE CCN(CC)C(=O)COc1ccc(/C=N/NC(=S)NCCCN2CCOCC2)cc1 1860498376 SDYJIHSPUATVNV-XQNSMLJCSA-N 435.594 1.454 30 10 IDEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(C(N)=O)CC1 1868781850 BJHHLQQGAQBHJC-RHSMWYFYSA-N 431.562 1.253 30 10 IDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870002448 MYRKZTOWGLQCEV-MRXNPFEDSA-N 446.489 1.399 30 10 IDEE CC#CCN(CC(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)C(=O)OC(C)(C)C 1900620666 MDUXBMJQHOKZCE-MRXNPFEDSA-N 427.542 1.981 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1902576778 OTOZVLDSJLWQRD-HNNXBMFYSA-N 426.514 1.577 30 10 IDEE C=CCN(CC(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1987168495 ISUHRZUEYRRGAG-OAHLLOKOSA-N 425.526 1.992 30 10 IDEE C=CC1(Nc2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CN(C(=O)OC(C)(C)C)C1 2019461852 RGGZDVHQNFICMX-UHFFFAOYSA-N 427.505 1.765 30 10 IDEE CO[C@@H]1C[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)N(C(=O)OC(C)(C)C)C1 2124520136 RHFKVOSVPDQNGH-CABCVRRESA-N 448.329 1.739 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2247822398 DUEAPVBQNQSXRU-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2255596278 LUAXYZRQYUGFSL-ZIAGYGMSSA-N 432.330 1.648 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2255636206 QYFDZQPGJFPHEG-UKRRQHHQSA-N 434.346 1.845 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255656175 XKUYVBRAUQCRLN-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828753 WYMWBMVRQQXDED-KGLIPLIRSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255861606 CUFVWXWFYOJDND-CZUORRHYSA-N 435.330 1.272 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256928612 URZZOMLGJMGWGW-GOSISDBHSA-N 426.278 1.781 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2259345945 NKBXJCQWDPYKLK-HIFRSBDPSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO[C@H]1C2 2267556258 DAQJESJZRMQJDQ-WCJKSRRJSA-N 447.341 1.868 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2267589375 ZFDOXRJTACYJLU-QFIPXVFZSA-N 447.341 1.794 30 10 IDEE C[C@H]1CCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)C(F)(F)F 2267592372 DGMUKTYERABMDD-WFASDCNBSA-N 441.259 1.910 30 10 IDEE Cc1c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2269069044 UGCBXSLLAPFTPP-INIZCTEOSA-N 443.309 1.428 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC([C@H](F)CO)C3)cc2Cl)OC1(C)C 2282833397 HSMUUFNHLXHCEO-LLVKDONJSA-N 425.740 1.652 30 10 IDEE N#Cc1cccc2c1CCN2S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286039277 DRIQZYRNMVEGFI-KRWDZBQOSA-N 429.454 1.630 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2311711658 WRKMFCQOLGWAEG-ZJIFWQFVSA-N 440.346 1.412 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2320975918 MSFJLTGJIXETTI-VLIAUNLRSA-N 440.346 1.319 30 10 IDEE O=c1c(Br)c(NN=Cc2ccccc2O)cnn1[C@@H]1CCS(=O)(=O)C1 2322659705 UIVWEKQRAVEURJ-LLVKDONJSA-N 427.280 1.517 30 10 IDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1ccccc1 20527357 JPOFAXTZEDWCNW-DJKKODMXSA-N 428.434 1.783 30 10 IDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccccn3)n2N)cc1 20914088 MAQBIFNODKEHBP-WSDLNYQXSA-N 440.489 1.740 30 10 IDEE C=CCn1c(=O)c(N2CCN(C(=O)COc3ccc(OC)cc3)CC2)nc2cccnc21 35537495 VAJJHVUMOWIRTB-UHFFFAOYSA-N 435.484 1.714 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1cccc2ccccc12 72443920 YYFBSQGBRFKMER-ZWKOTPCHSA-N 442.479 1.849 30 10 IDEE C#CCn1c(=NC(=O)c2ccccc2S(C)(=O)=O)sc2cc(S(C)(=O)=O)ccc21 254874946 UAENOWCXKUXSSX-UHFFFAOYSA-N 448.547 1.884 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447781211 SXMDFYVEFMNJBK-UHFFFAOYSA-N 435.553 1.781 30 10 IDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)CC1 467143476 YQTLODNLTYOHLC-UHFFFAOYSA-N 426.489 1.401 30 10 IDEE CN(C)C(=O)CCN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 471891530 ZPXLZXAVLKQFPR-UHFFFAOYSA-N 429.340 1.105 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1C#N 489017925 OXHVMDPTKFNDCC-UHFFFAOYSA-N 440.934 1.610 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 492785325 SSVVFQGWXNOKEU-MJGOQNOKSA-N 436.516 1.737 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1)c1ccccc1 503643940 RINYJCIPHQTYHO-QGZVFWFLSA-N 440.525 1.924 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506629459 YRYSAHYGDNTEIH-FQEVSTJZSA-N 435.532 1.352 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 507729664 ATGDTMHLAQTFBQ-JKSUJKDBSA-N 447.605 1.594 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508510955 SLSCEZKUEIUHHX-VWLOTQADSA-N 449.603 1.935 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCC1 519727092 PRYVAHVPYCFUEW-UHFFFAOYSA-N 435.930 1.809 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 539452398 AIICYGKSXCCJQX-SJORKVTESA-N 442.559 1.846 30 10 IDEE N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c(Cl)c1 549348670 LWRANRAMCBFFRH-HNNXBMFYSA-N 426.860 1.946 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C[C@H]1CCCO1 555393310 SNCGSZMZOOXAJL-GOSISDBHSA-N 447.561 1.767 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccco3)n2C[C@@H]2CCCCO2)CC1 571584822 OHIUZMRPSBQFHJ-FQEVSTJZSA-N 442.564 1.650 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(F)c1 586859896 MEMQSGFVWDEYFT-LJQANCHMSA-N 444.413 1.899 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCCO1 603798119 IQBYVYNOTHGCCU-OAHLLOKOSA-N 429.929 1.524 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 676235506 JXPXKNWOMKWWGO-LBPRGKRZSA-N 431.583 1.872 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 729283330 GEOVRYZJRIYWHI-UXHICEINSA-N 435.484 1.374 30 10 IDEE C#CCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 729332432 XHJNUTYMQBSTNA-ZDUSSCGKSA-N 435.487 1.137 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncccc2F)cn1 751688930 SRJNVXISGIFVIU-QGZVFWFLSA-N 447.540 1.637 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCCO2)cn1 756085198 SUTFKGUEMHISFM-OXJNMPFZSA-N 436.582 1.472 30 10 IDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)c1 757018370 PUMGCNHOYOTWJX-WNIYRAMRSA-N 428.489 1.563 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)NS(=O)(=O)c1cccnc1Cl 761036252 FODMHVFTEKABRQ-AWEZNQCLSA-N 448.936 1.407 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C[C@H]1CCCO1 761835849 LGUYNAWKIAUTSI-CQSZACIVSA-N 442.566 1.204 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 769544891 XNZCAWUYLRWEFX-UHFFFAOYSA-N 428.533 1.997 30 10 IDEE C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C)c1cccs1 771543771 MWKLSLRLNUVGCJ-ZKZYWDCSSA-N 433.563 1.544 30 10 IDEE Cc1cc(C)cc(-n2nc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2C)c1 777254126 HXOQWKPUJBAOFB-VXPUYCOJSA-N 436.472 1.379 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2[C@H]3OCCC[C@@H]32)CC1 780123750 QZZUWPAFSOQUNE-XWIAVFTESA-N 426.429 1.423 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CC(=O)OC)c2cccc(F)c2)c1 789887815 FACHZJXMBQBSAQ-NRFANRHFSA-N 432.473 1.946 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3c(Cl)nc4ccccn34)C2=O)cc1 792784264 IZBUQWNPOUZQDT-HNNXBMFYSA-N 429.889 1.939 30 10 IDEE CNC(=O)c1ccc(CS(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1 797328195 SEYPYQLYAMUOOR-LJQANCHMSA-N 429.498 1.967 30 10 IDEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)Nc1cccc(I)c1 798748634 ZKFYQUSZXQCMIR-UWVGGRQHSA-N 439.213 1.886 30 10 IDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 802540078 OFNJNUQRZZRYML-UTKZUKDTSA-N 437.548 1.452 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 805787053 ZRMYLOLMYTWGRG-QGZVFWFLSA-N 430.486 1.807 30 10 IDEE C#CC[C@]1(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CCCN1C(=O)OC(C)(C)C 809756205 SSIOYLWJHBAJJU-OAQYLSRUSA-N 439.578 1.852 30 10 IDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C#N)cc2)CC1 816128867 ZRWBPOFLAPALQG-UHFFFAOYSA-N 443.485 1.727 30 10 IDEE CCN1CCC(N2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CC1 1142467973 KLDOWMXJGPULHV-UHFFFAOYSA-N 436.553 1.755 30 10 IDEE Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1148392633 CFSDYXOJJLBEAB-UHFFFAOYSA-N 443.261 1.507 30 10 IDEE COC(=O)CCN(CC(OC)OC)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1154021014 NMXBYHPKQPIYKP-UHFFFAOYSA-N 426.510 1.648 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](CO)[C@@H](CCO)C1 1159699094 WPNRHTVIWYSLRM-KBPBESRZSA-N 427.295 1.548 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H]2CCO[C@H]2c2ccc(O)nc2)CC1 1175259509 BJMUJFSGUSZUGJ-WWMYMODYSA-N 427.530 1.677 30 10 IDEE Cc1cc(C#N)cc(C)c1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1183079431 YLQIJYVBHFOTLI-UHFFFAOYSA-N 427.482 1.749 30 10 IDEE CNC(=O)COc1cccc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)c1 1211778102 CZIBWVYNVSUUFO-UHFFFAOYSA-N 438.303 1.924 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1286298328 IKGSNVWEFHFCGK-QAPCUYQASA-N 429.546 1.388 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1286386247 XDQWXNWGEUTHOU-ICSRJNTNSA-N 446.573 1.986 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286390703 FCKAIWFHSMPDQN-QGZVFWFLSA-N 433.578 1.608 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1286390724 BMFVTUIOSJVVPH-MSOLQXFVSA-N 444.605 1.953 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286392265 IEQMAKUFZGOZQW-OAGGEKHMSA-N 428.505 1.844 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286397889 VJMVDVVZHJEEIX-NQIIRXRSSA-N 438.594 1.773 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1286399930 RJFXXJKCWZPCDX-DLBZAZTESA-N 429.550 1.044 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1286401684 PYOXCHARSPTODE-GOSISDBHSA-N 441.557 1.695 30 10 IDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCN(C(C)=O)CC1 1286450776 YBLKKKUJSUCKTB-UHFFFAOYSA-N 433.560 1.905 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC(F)F)CC1 1286470368 YCYCFXCCENQQSO-UHFFFAOYSA-N 433.463 1.352 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)CC)CC1 1286484493 LFFAXCSVSLJZKA-UHFFFAOYSA-N 445.589 1.664 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286497033 YZFDSWGPUPICTJ-XHSDSOJGSA-N 427.596 1.260 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)CC1 1286663386 LNZLHXUUPOEVSF-INIZCTEOSA-N 429.612 1.767 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286793715 KEDQIDADBISRDM-VPWXQRGCSA-N 443.552 1.552 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1286793779 LWBPEKYTJLTRQO-YPMHNXCESA-N 441.464 1.003 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1291621452 UQUMPDLNKWWRER-DLBZAZTESA-N 443.577 1.820 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 1292929051 AWCBLSQCFTZCMU-UHFFFAOYSA-N 431.537 1.804 30 10 IDEE CCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1297582606 PGHCQUFFXRXACL-KRWDZBQOSA-N 433.520 1.677 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)s1 1297738852 ACRHJJGNMBJOHC-AAEUAGOBSA-N 426.482 1.774 30 10 IDEE CC(C)[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](O)C(F)(F)F 1297774012 XVOUIOXFXYSFQU-KBMXLJTQSA-N 426.395 1.827 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1300380425 AXERSQZPQWVRPW-INIZCTEOSA-N 449.519 1.913 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 1300391878 VAXHMLZPPIVEON-UHFFFAOYSA-N 445.545 1.057 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1300621882 QHLSSJLUOYKHKB-CTNGQTDRSA-N 435.576 1.899 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1300630884 IPKZGRHCULWAMR-LJQANCHMSA-N 447.561 1.436 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1300696373 ZWTNIDABGPDMOQ-RTBURBONSA-N 438.580 1.378 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301019314 SYLQSCWMOMHICV-CVEARBPZSA-N 447.989 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301587924 ZBNBNZBOYKKLHG-UHFFFAOYSA-N 435.529 1.087 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1 1302362578 KQEKOGPUUCKCBE-OAQYLSRUSA-N 428.514 1.392 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1C(F)(F)C12CCC2 1303836528 NDZLTIFWTJAJKH-ZOWXZIJZSA-N 432.472 1.766 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)cc1OC 1304148435 JORXDWPQCZNSNO-BVBGJJFLSA-N 426.473 1.468 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1cc(C#N)cs1 1308112389 FWZHDQDFDXQKQK-UHFFFAOYSA-N 432.571 1.726 30 10 IDEE CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315155087 GCAPYOAVZSAEMD-OAHLLOKOSA-N 429.500 1.789 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN(C)S(=O)(=O)CC)c(C(=O)OCC)c1C 1352793760 WGTABAWEZRLUHA-UHFFFAOYSA-N 432.520 1.796 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2(O)CCOCC2)c1 1358903296 RBOHLRUPLJQYKF-UHFFFAOYSA-N 427.505 1.412 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358959484 JRKWJKYKRFCYCB-INIZCTEOSA-N 449.964 1.925 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358960187 YYMHMDGHILUXQF-SFHVURJKSA-N 440.529 1.362 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1358982733 IOXHQDVPBLJIRV-UHFFFAOYSA-N 427.530 1.274 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1359024639 RTZDCFYJDZPRRR-MOPGFXCFSA-N 437.610 1.387 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1359061587 GVAADOBTLPHDHH-QGZVFWFLSA-N 433.509 1.314 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1359113530 KPJUIIYYHBQTGK-SFHVURJKSA-N 434.566 1.651 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C 1359133352 QGAKTNPFHJMCST-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCC2(CCOCC2)C1 1359330904 GSJRYNKSRROHMC-UHFFFAOYSA-N 432.550 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCOC1 1359333453 YNMCQULIWUNOCB-QFBILLFUSA-N 448.545 1.864 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359462517 IHLTZQDQKDFYDU-VAMGGRTRSA-N 443.596 1.899 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc3c(nc2O)CCOC3)c1 1441634766 XNNXDZPLJDICEJ-NKFKGCMQSA-N 430.486 1.925 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1448197832 SCXYSKXPQGCWDX-FUHWJXTLSA-N 436.383 1.742 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)s1 1448439174 POZDSWLNIDXGAO-KDOFPFPSSA-N 428.576 1.439 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)[C@H]2COCC23OCCO3)s1 1451242052 XOFJLZUBLNXAQW-OAHLLOKOSA-N 444.575 1.287 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3cc(C(=O)OC)ccc3C2)cc1 1457041528 YRHQDZCUMBRYBU-UHFFFAOYSA-N 430.482 1.972 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1OC 1463337351 SWUCYZSUAIPYIA-UHFFFAOYSA-N 433.490 1.576 30 10 IDEE CN(CCNS(C)(=O)=O)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1465020800 CTLDIUXQNHDTGK-KRWDZBQOSA-N 436.534 1.400 30 10 IDEE COCCN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1468721346 LPXXYKFLPIXXSB-UHFFFAOYSA-N 447.561 1.679 30 10 IDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1471882568 PVXUGFMIGHNSNN-QFIPXVFZSA-N 432.521 1.568 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 1492753822 JHRJTSZGANIBPS-NVXWUHKLSA-N 444.540 1.782 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1507691000 ZJGOKFYHABIMHJ-IBGZPJMESA-N 431.562 1.681 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CCC1 1507703504 XHPOAKDAHFJAQP-PMERELPUSA-N 430.534 1.313 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCSC2)CC1 1507724690 VOZKBQVDRZSKHA-JOCHJYFZSA-N 427.574 1.501 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCN(CC)CC2)CC1 1507733891 NOPQJTCDLHJULP-UHFFFAOYSA-N 443.640 1.569 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1507760570 AGAXJUQASHAWRO-MRXNPFEDSA-N 441.355 1.577 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1508005062 SQLKCJUTQIKDLG-SFHVURJKSA-N 438.532 1.704 30 10 IDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1508822719 MJDPPKUOHMLYCU-UHFFFAOYSA-N 427.509 1.908 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC2(C1)OCCO2 1510176617 QCYDFDLQVOVPMY-ZBFHGGJFSA-N 438.554 1.171 30 10 IDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1516124155 BRUDAYXFSXZTRD-FCEWJHQRSA-N 440.570 1.093 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1519243221 UXRRPBNUUUMCKA-IBGZPJMESA-N 444.511 1.780 30 10 IDEE COC(=O)CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H](C)C1 1520809976 BVTOMJAICIKRLC-GDBMZVCRSA-N 432.908 1.660 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1527210873 BCUKZOGUPNCJEA-KMEDIVRHSA-N 444.517 1.225 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1534728813 MDIMSJWTLIZFAQ-LJQANCHMSA-N 442.493 1.940 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccn2)c1 1539042473 GGIKRKMNMRSSMW-FQEVSTJZSA-N 443.511 1.923 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539141245 DYCZNSDUBGSKMZ-ICSRJNTNSA-N 432.569 1.062 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1539324879 YXIGIJMPSZWDKG-QGZVFWFLSA-N 429.546 1.940 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC1 1539446100 QKYWBMOCUYXJKB-KRWDZBQOSA-N 428.924 1.695 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN(CC)S(C)(=O)=O)CC1 1539454599 UQEVRYJYSAAOLC-UHFFFAOYSA-N 436.626 1.438 30 10 IDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1539505697 LLSHZOULCFUROP-UHFFFAOYSA-N 437.566 1.969 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCN(C)C1 1540147958 QKSXQXKINOWLCL-NRFANRHFSA-N 430.578 1.721 30 10 IDEE CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC2(CC1)OCCO2 1540728416 GMTRTTIBGQPIPW-UHFFFAOYSA-N 433.530 1.715 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540871054 CCMOHBFHOHJXCJ-CVEARBPZSA-N 434.541 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2ccccc2)C1 1540903119 YVPZNOPCPKGYLB-MOPGFXCFSA-N 443.573 1.899 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1554349705 GEFNXCOLYSFNMU-GOEBONIOSA-N 439.442 1.275 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555319034 MXUJNEKNEBVNAH-XDOYNYLZSA-N 449.515 1.958 30 10 IDEE CCOC(=O)[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@@H](O)c1cccnc1 1557912473 MEDKXGYWRNEOLV-ROUUACIJSA-N 448.273 1.876 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)CC1 1564146659 DXRWBDRKEIAYSZ-UHFFFAOYSA-N 436.868 1.236 30 10 IDEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1566977275 DMZDHLIUTUUOCE-SFHVURJKSA-N 446.353 1.728 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1585451660 DTUREWQFVDMIPS-HXUWFJFHSA-N 441.509 1.634 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587678360 SABQXQGDDPBQJX-UZLBHIALSA-N 434.587 1.886 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[S@@](=O)CC)c1 1587693492 TWUNFBCIJOFGHK-OKXSDPAFSA-N 443.573 1.997 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO2)c1 1587697053 IVCJUHAODAXLDL-LJQANCHMSA-N 436.516 1.636 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 1587718326 CLJORNRYDRRMSR-LJQANCHMSA-N 443.573 1.673 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCSC2)n1 1588724007 SFMIBKZWEXXCIA-SJLPKXTDSA-N 443.577 1.465 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1589037101 UXWCVWVHHSBNFT-SFHVURJKSA-N 443.529 1.034 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1589059779 JWTKPKGGAHCUEM-QGZVFWFLSA-N 445.618 1.683 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCn2ccnc2C)CC1 1594241385 OQWRSIPYUJFXHJ-SFHVURJKSA-N 449.581 1.219 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCS2(=O)=O)CC1 1594430924 RLJIGZLYAVCLJT-UHFFFAOYSA-N 433.582 1.578 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)Cc2ccccc2CC#N)C1 1597576475 JWTWVKCQGSIFEZ-SFHVURJKSA-N 435.546 1.836 30 10 IDEE COCCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C[C@@H]1C 1619949929 HRROQOKQYDQIDB-SFHVURJKSA-N 438.536 1.810 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 1620352413 UYKSTTPKCVZAAD-OAHLLOKOSA-N 446.462 1.104 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C)CC1 1623499281 WJPVGNWJUQIITG-HXUWFJFHSA-N 428.533 1.454 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1627010910 GWWVNCGAEOOGGH-QGPMSJSTSA-N 448.545 1.693 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 1631530598 RZNXZFDFOTZWAW-IBGZPJMESA-N 428.533 1.705 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)n1 1634601030 IBXWWRYEHPLUPH-IBGZPJMESA-N 444.536 1.833 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 1635159295 XYOMNIGKZKECDA-VXGBXAGGSA-N 436.939 1.415 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1635738978 USZJXNCHTHLNOF-GOSISDBHSA-N 437.585 1.537 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)C1 1636299790 QMPNJQNDSUPSFX-KMFGOTIKSA-N 441.550 1.045 30 10 IDEE CN(C)S(=O)(=O)N(C)CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463179 CGBYGAFFTHQXMT-OCAPTIKFSA-N 447.348 1.354 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1 1639969007 QUJMYYOTDXSTRS-WZONZLPQSA-N 430.501 1.952 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)cc1 1642656671 WBTHQVODZMRBMW-UHFFFAOYSA-N 443.529 1.968 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)OC 1645502636 GPQGELCVMLTGBI-HZMVEIRTSA-N 428.551 1.110 30 10 IDEE CCC1(N2CCOCC2)CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1648346276 BOGCDGYTMOVSPB-KRWDZBQOSA-N 448.589 1.607 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1650958337 JRWCEMALXXIZEJ-RYUDHWBXSA-N 434.321 1.438 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cc(C#N)nc(C4CC4)n3)cc2)CC1 1655139634 QIQPZXFDGOGNEK-UHFFFAOYSA-N 427.486 1.735 30 10 IDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 1679257706 XDDASLCROZYZRY-MRXNPFEDSA-N 437.319 1.796 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)cc1 1683502415 MHOGHOZISYJFPX-ZWKOTPCHSA-N 425.938 1.850 30 10 IDEE C#CCN(C(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1683620099 CBFNWLLMTKGECQ-NEPJUHHUSA-N 430.470 1.046 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1689875567 WAQJLLJPYWCLCJ-GOSISDBHSA-N 434.504 1.831 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689916683 RNKBXJCMSBZPPH-INIZCTEOSA-N 436.559 1.385 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1690098504 LIOOATIJCZPZRH-INIZCTEOSA-N 448.545 1.483 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1690124581 OLNLUWKPSNIEIM-SFHVURJKSA-N 441.532 1.611 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690451537 JERVLERQKXYVHN-KDOFPFPSSA-N 426.543 1.276 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1697698118 HWFJULZFBRVOQA-CEXWTWQISA-N 445.545 1.492 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2CC2)c1 1705503829 FWNDYZNOGNWCSV-OAHLLOKOSA-N 444.561 1.745 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@]2(O)CCO[C@@H]2C)c1 1705504885 FQGVTBGAQOICFU-MZNJEOGPSA-N 448.527 1.880 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705517476 WPRGHJPBTQCGLW-FQEVSTJZSA-N 430.597 1.966 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1705568416 NESHMOSQRUAPNT-SFHVURJKSA-N 431.562 1.528 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCO[C@H](C)C2)CC1 1705638528 NJZPVDPIQOSNBH-OAQYLSRUSA-N 437.592 1.905 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)C(=O)C1 1705679290 IRZAUBLDXLUIFH-UHFFFAOYSA-N 446.309 1.645 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(C(N)=O)CC1 1705938146 OGGFMDOHLSHADG-UHFFFAOYSA-N 447.561 1.468 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1706641983 YTEDWSBNGKDNGP-QFIPXVFZSA-N 439.520 1.168 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1706941575 WJCUBLIAQOICKI-GXTWGEPZSA-N 448.325 1.679 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1722308832 QRYIIYAFTHVWAN-QGZVFWFLSA-N 438.598 1.387 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1722324104 KQVSZCFBRHLDIZ-HNNXBMFYSA-N 437.595 1.393 30 10 IDEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1 1722339514 WJBZQKFKRNEILC-UHFFFAOYSA-N 433.560 1.905 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)C 1722400561 SVFOIAYZHYDDQA-UHFFFAOYSA-N 448.575 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCO2)CC1 1722443130 CZXPDZQZQAQIEX-AUSIDOKSSA-N 445.564 1.465 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722450926 STCNKMPBWLYMMO-UYAOXDASSA-N 442.564 1.354 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1722458948 YHTVRTXKLXPFHA-KRWDZBQOSA-N 448.593 1.900 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722465816 SYXCBPUJYKPLOP-MRXNPFEDSA-N 443.529 1.873 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722580358 ICKOHBVWRBRSAA-UHFFFAOYSA-N 438.598 1.634 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722617308 IRNQNKCYQKPVEB-GOSISDBHSA-N 445.593 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722696121 BNJPVCAPVHGIKY-GOSISDBHSA-N 441.555 1.603 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722698130 VAZXODABKRQZJL-UHFFFAOYSA-N 432.532 1.974 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCOCC1 1722730590 WWEDOMGDBZPKDQ-UHFFFAOYSA-N 434.562 1.899 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722850078 BHYQBQMERZHEDZ-UHFFFAOYSA-N 445.531 1.768 30 10 IDEE CCN(C)C(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1728267652 DPEAZKSNVFYVGR-LRAJWGHMSA-N 449.531 1.969 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730562637 QGYZVRWLRWNMLZ-HYLQGWQCSA-N 430.509 1.171 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1740621316 LNQCALVNJAKYPA-INIZCTEOSA-N 445.545 1.059 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1740626232 KKUUNTVRSCFXJC-CVEARBPZSA-N 447.561 1.743 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1740638100 IIVUCGXXDDFJGX-UHFFFAOYSA-N 431.500 1.226 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740795475 WALVPJRXYQANKI-QZTJIDSGSA-N 439.582 1.379 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740813495 BBBBEOAWIRQODQ-UHFFFAOYSA-N 443.939 1.287 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1740951049 BHKQGRQUPXMDOP-UHFFFAOYSA-N 440.548 1.797 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1742906344 HHKBHGAWHQXUGG-KRWDZBQOSA-N 437.548 1.594 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](N1CCOCC1)C(F)(F)F 1748802764 ISNHGYLSPHFMSS-JYJNAYRXSA-N 431.459 1.335 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748812623 YDVZATFALDJZOP-QGZVFWFLSA-N 428.493 1.493 30 10 IDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1748992930 KOYZIEYMWZSNTH-FHWLQOOXSA-N 444.580 1.620 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 1748998984 DSXDQHKLPJGTGR-DEOSSOPVSA-N 446.511 1.985 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCOCC2)CC1 1749019049 JBCYPELHAYKWAU-HXUWFJFHSA-N 444.580 1.208 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749214515 ZCHNMKGZFWCCOY-ULQDDVLXSA-N 426.587 1.154 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1749465709 WHEGISORMJRTMJ-LSDHHAIUSA-N 442.586 1.910 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2)C1CC1 1749508588 UXDHAHQTHYFMIC-HNNXBMFYSA-N 448.597 1.604 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1749532921 ZCASBNQPTFHVKD-MOPGFXCFSA-N 449.515 1.834 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749727243 QWEDGFFLBUDAAS-OAQYLSRUSA-N 442.545 1.380 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749727430 UMDXIGUTCZNHAF-GOSISDBHSA-N 438.941 1.296 30 10 IDEE COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1750039770 IALMYKRPUSBJOE-GOSISDBHSA-N 440.504 1.316 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1750389102 SPELJOHNVJVUIP-SFHVURJKSA-N 432.488 1.935 30 10 IDEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760134782 YMCFMVLGQYUOCQ-UHFFFAOYSA-N 448.531 1.215 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760152149 WQJLDHZPWMEICM-UHFFFAOYSA-N 429.506 1.327 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760162713 FAQMAKMUQNLXNS-JKSUJKDBSA-N 430.534 1.011 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760191771 MYMWHRAGPCFCJN-QGZVFWFLSA-N 448.520 1.538 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[S@](C)=O)cc1 1760247499 DABKQGVOENPVAE-PMERELPUSA-N 426.546 1.691 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCn2nc(C)nc2C1 1760453009 UWBXWXVQYDIXFR-UHFFFAOYSA-N 442.549 1.782 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCn2ccnc21 1760465037 VIVVEHBEQKHTMH-HZPDHXFCSA-N 435.554 1.007 30 10 IDEE C=CCN(c1nnc(Cc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760474928 MZEPLVSZPGJOHC-UHFFFAOYSA-N 446.573 1.972 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760516912 XXZMGKDMIGPNGH-HRAATJIYSA-N 437.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1760517823 ZERZVJHNSURVLK-HNNXBMFYSA-N 445.549 1.093 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760524753 IEYZJWYOUZGSSD-WBVHZDCISA-N 444.923 1.759 30 10 IDEE CN(C)CCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1766933685 FIHADCNLYPWGRJ-NRFANRHFSA-N 440.483 1.614 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1767796458 FWYHRCGUMGZCAQ-UHFFFAOYSA-N 434.504 1.572 30 10 IDEE O=C1CN(c2nnc(-c3ccc(Cl)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCN1 1770852804 KFKKNZHDBKPTKH-HTXNQAPBSA-N 441.879 1.061 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cc(C)nn1C 1771220614 YRQHBGXFKXJABV-LPHOPBHVSA-N 428.541 1.269 30 10 IDEE C#CCCN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2cccc(Cl)c2)CC1 1851074179 LCTAYJSJORATAK-SFHVURJKSA-N 444.022 1.908 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3c(Br)cnc4nccnc34)CC2)n1 1851313911 NFWSICWBNDAVQK-UHFFFAOYSA-N 425.250 1.411 30 10 IDEE Cn1c(=O)c2c(ncn2CC(=O)N(C2=CC(=O)CC(C)(C)C2)c2ccccc2)n(C)c1=O 1851507636 WLAQAJCQMOMZGU-UHFFFAOYSA-N 435.484 1.740 30 10 IDEE Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCCN4CCC(C#N)CC4)ncn3n2)c1 1852536734 QHISGZYCJAURGQ-UHFFFAOYSA-N 433.516 1.527 30 10 IDEE N#Cc1c(NC(=O)COc2cn(CCCC(=O)O)c(C(=O)O)cc2=O)sc2c1CCC2 1857898626 KTXVIKFVAVHEII-UHFFFAOYSA-N 445.453 1.851 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2C(=O)CSC2=O)[nH]c(=Nc2ccccc2)[nH]1 1871601594 XRJOKKBGUKUMBA-UHFFFAOYSA-N 425.518 1.745 30 10 IDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(COc4nccnc4C#N)CC3)cc21 1891793698 NNMRMCVJFATDDO-UHFFFAOYSA-N 429.458 1.273 30 10 IDEE C#CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)C(=O)OC(C)(C)C 1985010657 FEPZFXFUZUGSLZ-JKSUJKDBSA-N 425.526 1.591 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2006263140 MELCZTPPUXAUGE-CHWSQXEVSA-N 425.345 1.935 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2247856837 CAYBVOQOWHZGCB-UONOGXRCSA-N 438.355 1.757 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247962777 RCEOIVLLWLZKND-CABCVRRESA-N 446.375 1.464 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248420006 LTDPRNMZXBYCDB-NWDGAFQWSA-N 438.359 1.843 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2255523309 FILFORGMAOMUDE-UHFFFAOYSA-N 430.207 1.875 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H]1OCc1ccccc1 2255622394 ZDEQFLSFGGAHJF-DLBZAZTESA-N 426.326 1.934 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255694108 MAVNZJNXBRWLTP-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256059386 KESHIEIIIWKLJS-UONOGXRCSA-N 432.330 1.904 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267011889 MAIREECQGWJSJE-OALUTQOASA-N 441.337 1.823 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1Cc1ccccc1 2267121766 BTYGQNLTPLZWMJ-DLBZAZTESA-N 439.369 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2267270428 LIPBGTUAJRPSSO-ZSEKCTLFSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](CO)C1 2267270671 MWWKFMWBEKLPEM-INIZCTEOSA-N 447.341 1.435 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCC23OCCO3)OC1(C)C 2267704918 BYFBYEBIIUCWDI-ZDUSSCGKSA-N 430.357 1.157 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc(O)c2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296927925 HDVHUKKLECSASX-SFHVURJKSA-N 428.397 1.731 30 10 IDEE CC(=O)N[C@H](CS)C(=O)N(C)Cc1c(Br)c(Br)nn1C 2364347975 LUULIPFLSOJLCQ-SSDOTTSWSA-N 428.150 1.338 30 10 IDEE CC[C@@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1)n1c(N)nnc1SCC(=O)OC 40173914 VHRMSZVKTAGOHM-AWEZNQCLSA-N 440.489 1.773 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cn1 59830144 IAXNZIONVCPRHQ-QPSGOUHRSA-N 433.448 1.829 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2F)[C@H](C#N)C(=O)N3)CC1 72444617 DQYJFXGZPFXQGA-HOCLYGCPSA-N 439.447 1.912 30 10 IDEE CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105285176 HPMRQCBRCGGMKB-MRXNPFEDSA-N 427.530 1.992 30 10 IDEE N#Cc1ncn(-c2ccccc2NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)n1 426819287 HSLPPGAROSULHQ-NRFANRHFSA-N 441.451 1.553 30 10 IDEE Cc1nc(SCC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c(C#N)c(C)c1C 427624584 UWGCELXDZZRZEU-UHFFFAOYSA-N 425.580 1.311 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430989901 MUZSWKTXKXENER-UHFFFAOYSA-N 447.564 1.772 30 10 IDEE N#CC1CCC(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 440992802 UHHMQDWVFLSCAE-UHFFFAOYSA-N 426.564 1.898 30 10 IDEE N#CC1CCC(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 441005542 ZRUJLJRJOCGJLB-UHFFFAOYSA-N 434.566 1.163 30 10 IDEE N#Cc1ccccc1N1CCCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCOC2)CC1 461686149 FXHUMBMMUUGJBE-GHTZIAJQSA-N 438.532 1.991 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)c1 466500837 ZSILNJAZQNZPQU-JOCHJYFZSA-N 438.509 1.528 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)Cn3ncc4ccccc4c3=O)CC2)c1C#N 472064536 SCYQLGKFYVKYLV-OAHLLOKOSA-N 434.504 1.230 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)c2)c1 476495893 PJLXNEQRHOHXMI-LJQANCHMSA-N 434.452 1.081 30 10 IDEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)cc2Cl)c1 476513695 MSHOFFHQMMVONT-MRXNPFEDSA-N 441.875 1.998 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 492782307 GJXKYGBTXLXOES-RTBURBONSA-N 429.565 1.863 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 508857881 QAWXDMPVBHOJLV-QFBILLFUSA-N 444.511 1.840 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 543273766 LWONBWHPUJISPB-UHFFFAOYSA-N 427.436 1.405 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@]12CCCO2 546813437 PEJRXCGSJSMBDI-ZVDOUQERSA-N 448.545 1.301 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1C#N 556274154 VOCWJMFOHFKHOV-OAHLLOKOSA-N 436.563 1.677 30 10 IDEE CCN1CCC(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 584368814 IPNLWBXZIFHFCT-HXUWFJFHSA-N 425.533 1.408 30 10 IDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 585088887 HXTLPAZVUGCWFZ-HXUWFJFHSA-N 433.510 1.762 30 10 IDEE C=CCNC(=O)CN1CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)CC1 674891840 NVQSUAKYTSQBHL-UHFFFAOYSA-N 427.896 1.186 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C(C1CC1)C1CC1 734827513 HBNOUSPQBBNXIW-UHFFFAOYSA-N 447.564 1.948 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 743115876 ZWTTWHFEDIUVGV-YCLYIZSXSA-N 433.534 1.630 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)CCN1C1CC1 746248504 VKSJCJBOTLHYNF-MSOLQXFVSA-N 425.489 1.653 30 10 IDEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 746329479 HPZFJZYNVUNCBA-DQRAZIAOSA-N 427.505 1.692 30 10 IDEE C=CCN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)[C@@H]1CCS(=O)(=O)C1 749351478 LUMRTLXKXKODQC-GFCCVEGCSA-N 426.296 1.240 30 10 IDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 756648702 YNTXMCFFZGIAIH-STQMWFEESA-N 447.351 1.573 30 10 IDEE O=C(O)C#CCNC(=O)[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOC1 757470090 AJSKJTKOWGFZCI-DEOSSOPVSA-N 434.448 1.888 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)CC1 767922890 MQGWVYLXHIMWJU-AYHJJNSGSA-N 431.533 1.437 30 10 IDEE Cn1cc(S(=O)(=O)NNc2c(F)c(F)nc(F)c2F)cc1C(=O)NCC(F)(F)F 775670373 XRNCYQYIFZTPHY-UHFFFAOYSA-N 449.308 1.574 30 10 IDEE N#CCOc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 780134068 CGDSQFBBAJKCPN-UHFFFAOYSA-N 440.481 1.131 30 10 IDEE CCCc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cnn1-c1cccc(C#N)c1 785992726 SYKMNZYCGYBARO-IBGZPJMESA-N 431.500 1.834 30 10 IDEE C#CCN(C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 795466376 AULUYSBBMHAHCQ-CYBMUJFWSA-N 444.307 1.442 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC(CNS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 804328444 JFZJGIBDQDOUJP-FQEVSTJZSA-N 427.567 1.567 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@]3(CCCOC3)C2)cc1 806219342 HPFYWTYWZIBXOT-AFHODHPKSA-N 436.534 1.913 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 807366729 HNCUKBKHWIXGNB-INIZCTEOSA-N 448.524 1.095 30 10 IDEE COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807937498 FKPRXXVBKGOHHX-KRWDZBQOSA-N 444.517 1.633 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCO1 812307117 BSERRVVAWZFIFN-IXDOHACOSA-N 448.524 1.494 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)CC1 812688186 TWZBJGABAJWEEG-GOSISDBHSA-N 427.549 1.894 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NN3C(=O)N[C@@](C)(c4cccc(OC)c4)C3=O)cc2C1=O 863712477 OSISBWYULVYQBS-QHCPKHFHSA-N 448.435 1.589 30 10 IDEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccc(Br)cc3)n2)CC1 1083989867 YTBVVRXKXKKROO-UHFFFAOYSA-N 438.355 1.879 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 1130018342 DXUDUZAMZHBBJZ-MRXNPFEDSA-N 448.522 1.729 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811311 JMJMOCMJDVYAPH-CYBMUJFWSA-N 449.252 1.725 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1148505463 IOULDFUWHXFKRI-RDJZCZTQSA-N 447.966 1.184 30 10 IDEE C#C[C@H](CO)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 1159769543 FBEMJIOLLDUGDW-WAIKUNEKSA-N 444.491 1.970 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3nc4ccc(Br)cn4c3F)C2)c(=O)nc1O 1180999747 DZCPSRBTMODAEP-UHFFFAOYSA-N 433.197 1.067 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)nn1 1230271566 HOVWKCYJFNWOFX-QGZVFWFLSA-N 432.550 1.673 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)NC(C)C 1286283453 VDZXCZSIERBFBA-HNNXBMFYSA-N 435.550 1.748 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286326396 BYJCKIINEOCVIB-NRFANRHFSA-N 435.576 1.810 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1286386500 BNOWUOBGNOFNPS-IBGZPJMESA-N 431.562 1.150 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1286448499 WKTQUUVRQSKSMV-INIZCTEOSA-N 439.582 1.897 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cccc(C(N)=O)c2)CC1 1286494052 JCUYJHXUBMFUDF-UHFFFAOYSA-N 438.532 1.122 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286778729 DYWYKZXBGMYHFQ-LSDHHAIUSA-N 430.484 1.526 30 10 IDEE CC(=O)N1CCC(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1286857485 WQBMVMGRYUPPOM-SIKLNZKXSA-N 446.552 1.306 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1300409114 PISJQRAMEMWCEN-ZCNNSNEGSA-N 427.597 1.637 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1300456017 SOMUDEPMPMOKNJ-UHFFFAOYSA-N 449.515 1.026 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1300489958 WLQBLQSCVYRPBU-DENIHFKCSA-N 444.557 1.286 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCSC2)CC1 1300719835 RTGTWXOWCSCPDB-NRFANRHFSA-N 426.546 1.174 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)OC)CC1 1300731284 MZVHQFAUFPYSBS-MRXNPFEDSA-N 429.496 1.997 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300897781 VELJRBJCNDEWNP-JZXOWHBKSA-N 432.525 1.269 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C(C)(C)C 1300898684 ZNXFAKSYYGIORS-ICSRJNTNSA-N 448.612 1.441 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1301028518 RXQPINRKODDGPH-GOSISDBHSA-N 428.514 1.236 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301151380 MQAONJZLRMWGEV-HOTGVXAUSA-N 428.541 1.916 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@@H]1C 1301278695 OWFKJMDMRBWISY-KRWDZBQOSA-N 448.593 1.538 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1301371293 BCABZZXUNLVVAZ-OAHLLOKOSA-N 444.561 1.401 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCOC(C)(C)C 1301485343 VAIVEJVQLADUHA-UHFFFAOYSA-N 449.577 1.902 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCC(O)CC2)C1 1301556076 FKWPFTWSLCNEDB-OAQYLSRUSA-N 426.565 1.892 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC[C@@H]1C 1302293928 UEKZQYHTMTYORJ-OZIGNCPNSA-N 432.569 1.853 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1303639935 HHOSKFDWMQIFMQ-HZPDHXFCSA-N 436.582 1.758 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1305260293 AOJJTTZSGXAVEF-HSALFYBXSA-N 438.532 1.852 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1314633190 FYKYEJFRDXVJHU-QHCPKHFHSA-N 437.548 1.596 30 10 IDEE CN(C)C(=O)CCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1314634411 HRQWJPBXMXMPIH-UHFFFAOYSA-N 448.531 1.800 30 10 IDEE CN(C)CCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1314673274 KSKWPUCQBOHVOO-QFBILLFUSA-N 428.493 1.098 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1358881280 BZYZBUCLRKLKNW-DLBZAZTESA-N 439.516 1.669 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1358889342 ALOSAXAALZFJBV-MOPGFXCFSA-N 438.580 1.631 30 10 IDEE C#CCCCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1358936434 NASAQSRVIZDDSU-JPYJTQIMSA-N 444.580 1.133 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1359000538 YHXLCBZQUHRNCH-OLZOCXBDSA-N 426.568 1.560 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359003472 MJJMUGDVAVKQTK-OAHLLOKOSA-N 432.506 1.594 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCOC1 1359018069 CDONMBGBAIWGHB-GREBRCKQSA-N 444.507 1.932 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)CC1 1359034898 FZVVOBXUYXZPCZ-NRFANRHFSA-N 436.560 1.286 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1 1359065842 FKGYMMFWTQXTMJ-RTWAWAEBSA-N 430.530 1.492 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](OC)[C@H](OC)C2)cc1 1359306807 RAVGNSHYXKCUCG-KDURUIRLSA-N 429.521 1.879 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1c1cnn(C)c1 1360203738 OWGKPYPJTJDJKW-GOSISDBHSA-N 439.568 1.949 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 1437440408 JSZCQTJUAASRDT-UHFFFAOYSA-N 436.530 1.433 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1441762005 CNBIBMNGHCPPJW-GOSISDBHSA-N 449.916 1.058 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1450274977 XMNYJSBANOCABJ-SWLSCSKDSA-N 442.285 1.937 30 10 IDEE C=CCN(C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1464394997 CROLVXRVZOHNMY-CQSZACIVSA-N 429.564 1.912 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCOCC2)CC1 1467952373 BTRQRNMMRIVOHY-QGZVFWFLSA-N 434.562 1.219 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1476041618 LZLPTWZWETWJSR-OAQYLSRUSA-N 433.530 1.922 30 10 IDEE C#C[C@H](NC(=O)NCc1nc(CS(C)(=O)=O)n[nH]1)c1ccc(Br)cc1 1478895438 CKZUOAWDBQXDIN-LBPRGKRZSA-N 426.296 1.286 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1503641165 YRTOKGGYWTUDPJ-KRWDZBQOSA-N 433.534 1.636 30 10 IDEE COCCCOc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1504836072 RGEUFBGBYAIBSG-ICSRJNTNSA-N 427.505 1.974 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CC1 1505320252 HMTBTTHHUHDZQH-ZWKOTPCHSA-N 437.566 1.363 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1507653166 OFGWSFNRKCYOQC-UHFFFAOYSA-N 445.527 1.520 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](OC)C(C)(C)C)CC1 1507723471 JLPOFLSBAWIBAH-SFHVURJKSA-N 428.537 1.822 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C2CC2)N(C)C)CC1 1507739215 BNESICJODIYRGG-OAQYLSRUSA-N 435.576 1.570 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1507980743 IAWADTZUOLEUNA-LSDHHAIUSA-N 429.612 1.765 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCNC(=O)CC1)C(C)C 1508012743 IIYPRTVDYURAMH-LJQANCHMSA-N 426.569 1.704 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(c3ccnn3C)CC2)nnc1[C@@]1(OCC)CCOC1 1508099425 WZQZRAJGUXPCJR-JOCHJYFZSA-N 443.552 1.350 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1508107513 CZCVLAMQWXWJQW-UXHICEINSA-N 445.612 1.321 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(C)noc2C)C1 1508114289 KGNFEUDCWOXYAL-ZBFHGGJFSA-N 438.554 1.517 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)C1 1508129972 GGWUFWDKMSTVJG-LJQANCHMSA-N 445.612 1.208 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1508134962 BCLRNHIETCWXIK-OAHLLOKOSA-N 433.534 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@]2(CCOC2)C1 1508145081 WNQKXBSQSFPMKT-LJQANCHMSA-N 438.575 1.527 30 10 IDEE CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1512662245 KPYUJBAJNKHFGZ-SFTDATJTSA-N 429.546 1.993 30 10 IDEE CSCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1520559796 OLEJZSSOXRUHCJ-MRXNPFEDSA-N 430.582 1.775 30 10 IDEE C#Cc1cncc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncnc(OC)c3OC)cc2)c1 1525936609 YYKMALBCEMKTFU-UHFFFAOYSA-N 439.453 1.923 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1539013049 HVWPEVIIEOZORI-CXAGYDPISA-N 439.488 1.395 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1539206253 NTFSSBTVPQMLAJ-ZWKOTPCHSA-N 447.561 1.381 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539219247 BPGBOVJDTNVYPH-HZPDHXFCSA-N 433.534 1.316 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539517253 KTDANMCGOUGSEL-DYESRHJHSA-N 427.530 1.859 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539637211 OISWHBLPVZDGJY-GCJKJVERSA-N 430.597 1.858 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539643823 XXOBTXPNIVCENU-UZLBHIALSA-N 429.525 1.383 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1539751341 LKAAGTQZAUCOKQ-MRXNPFEDSA-N 441.554 1.051 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539802913 BXPYOWSYZBVKSE-CVEARBPZSA-N 429.974 1.091 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc2c(c1)CCO2 1540073221 OXVWNNQGZLLYTH-IBGZPJMESA-N 447.561 1.411 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2CCOC2)CC1 1540862000 OBCPDPNLZWQMKO-QGZVFWFLSA-N 432.569 1.752 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1540961119 WHIAWZHQWVVZKU-CNNODRBYSA-N 446.552 1.306 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1545422369 CNJDNKGKDLBQMI-RLBWVDARSA-N 443.552 1.800 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]cc2I)c1 1585209933 XNSSJUZTVNXCKK-UHFFFAOYSA-N 432.243 1.731 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1587561119 BDHFEXDGDNBTMD-VXGBXAGGSA-N 430.456 1.808 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cc(C)no2)n1 1588724036 SWDNQWCMZLPUPA-KRWDZBQOSA-N 425.493 1.609 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2n[nH]c(C)n2)CC1 1588791002 JZSDXWNCFMQIMU-UHFFFAOYSA-N 436.520 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)SC)CC1 1588885351 VXKVMPXTBNEGBN-OAHLLOKOSA-N 434.610 1.914 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1595517466 ZDXYGOHCLXRHEW-HKUYNNGSSA-N 440.548 1.615 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1595522642 HOTIETNDYAUWRG-MRXNPFEDSA-N 427.553 1.953 30 10 IDEE C=CCn1cc2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C(N)=O)cc3)cc2n1 1597380708 AIALPDUNSLYIRD-CYBMUJFWSA-N 427.486 1.627 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C[C@@H]1C 1615759664 AKIXAWACWNXEMH-HOTGVXAUSA-N 431.566 1.285 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1617220932 OKULYFFFVDWMBV-UHFFFAOYSA-N 434.548 1.951 30 10 IDEE C=CC[C@]1(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CCCN1C(=O)OC(C)(C)C 1628211810 HFMYCGNFPOGDMP-JOCHJYFZSA-N 448.568 1.845 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 1630433733 GPFFGTSSQUEYSU-UHFFFAOYSA-N 442.541 1.680 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](CS(N)(=O)=O)C3)C2)C1 1633743327 QEHINLCSDKCNFD-DQLYFJKKSA-N 440.566 1.300 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(CC(N)=O)cccc3C2)s1 1635501512 JSFWEDXIFXGTBH-UHFFFAOYSA-N 433.555 1.368 30 10 IDEE COc1ccc2nc([C@@H](C)NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)[nH]c2c1 1639156500 UJWJSJGYLZMPHU-GFCCVEGCSA-N 427.486 1.878 30 10 IDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1645168428 CAPBMRNEVCILMQ-KSZLIROESA-N 449.529 1.321 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN(C4CCOCC4)CC3)C2=O)cc1 1645195387 LONXSPVNYFFRDE-FQEVSTJZSA-N 439.516 1.523 30 10 IDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)cnc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1645455119 XPAOYJVOELSWJP-UHFFFAOYSA-N 436.534 1.512 30 10 IDEE C#CCN1CCC(NC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1645780947 ANNJSYDNNNAFNL-UHFFFAOYSA-N 431.480 1.978 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)s1 1646540538 COMKBYMGAWBUKO-ZDUSSCGKSA-N 438.531 1.389 30 10 IDEE C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648500622 SMIAHAWSTHSTOD-ZWCUEREDSA-N 430.574 1.026 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)CC1 1654717276 VGCZZZQONCRTNQ-LEWJYISDSA-N 444.551 1.896 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cnc2c(Br)csc2c1 1661051317 LJCYWMRNPOPQAB-UHFFFAOYSA-N 425.351 1.938 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1 1664032208 LVBGLTSEPSEUED-HNNXBMFYSA-N 436.511 1.116 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(F)c1 1668975911 CWUKBKLLRJRVPX-GOSISDBHSA-N 445.472 1.953 30 10 IDEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1scc(C(C)(C)C)c1C#N)C2 1672201662 DIJPOFVGSCUQKM-UHFFFAOYSA-N 431.522 1.411 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)CC1 1674829664 HSODSSWGZNGJDA-QGZVFWFLSA-N 430.452 1.185 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1684731677 LLIGGWKKSPHPII-FQEVSTJZSA-N 428.514 1.792 30 10 IDEE C#C[C@@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1)C1CCOCC1 1687126323 KTZRNZFKEVKCLZ-POTGORPSSA-N 434.533 1.967 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC1 1690006626 VNCYALKUMDJELR-UHFFFAOYSA-N 440.573 1.364 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCOCC2)CC1 1690411714 SHATXIJFIVKEJQ-IEBWSBKVSA-N 437.610 1.551 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690508868 RLFYFDQYEOLFKJ-PKOBYXMFSA-N 448.593 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1690720392 HNSFYEGNOPTNSP-FQEVSTJZSA-N 433.534 1.256 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1693550185 BJVDHJQKMGQBSI-YLJYHZDGSA-N 437.548 1.330 30 10 IDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1695272123 NDEIGEUDWCUWBH-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@H](F)COC)CCOC1 1696061046 QPTFQRVBDUKDMB-KKSFZXQISA-N 446.483 1.450 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1696585365 YWVJZMVRUYZONQ-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c(OC)c1 1697361881 UMMBSANDOLMKPJ-NHCUHLMSSA-N 428.468 1.883 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC2CC2)c1 1705476790 FEVARUAMRGOGPW-LSDHHAIUSA-N 432.550 1.578 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705568573 QHMCPIQBWHAEQU-GOSISDBHSA-N 446.573 1.687 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC=C 1705600011 IHAAPTRZXNQJPC-UHFFFAOYSA-N 436.541 1.580 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCOC2)CC1 1705650581 UQNNHNWVSVNIGV-NRFANRHFSA-N 429.546 1.048 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(C)cccc2C1 1705897370 LJLAYOGQSXKCNI-HNNXBMFYSA-N 432.550 1.062 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)CC#N 1710902513 URCWJPHNGXSYJF-ZDUSSCGKSA-N 426.493 1.825 30 10 IDEE COc1ccccc1Cc1nnc(N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711984575 RWJXQHOFBCCDMG-QZQOTICOSA-N 438.488 1.241 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1712076766 JPSXZVPWSNIERA-CWFNNOHCSA-N 425.493 1.661 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712352453 OHYAONCBAJOYAA-VFAFWLKOSA-N 430.509 1.171 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1712709806 XCVHGKNQCISNAI-UHFFFAOYSA-N 441.517 1.619 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)O)c1 1722309768 PTUVMCHYSNRKGG-INIZCTEOSA-N 445.545 1.007 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCC(=O)N1CCOCC1 1722397323 QTIUUGLYHQNEOS-UHFFFAOYSA-N 435.528 1.589 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1722413771 RIEMDJMSVHJKBX-LJQANCHMSA-N 443.573 1.584 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC#C)CC1 1722453667 BLWWWMNVNWPQHI-UHFFFAOYSA-N 443.598 1.470 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)CC1 1722581217 IEKZSBOTJYBATP-MRXNPFEDSA-N 427.571 1.174 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)C1 1722688343 CBKDNOWHYKFPAD-CQSZACIVSA-N 431.566 1.695 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722695160 VOLPWIKIHAEYOM-IBGZPJMESA-N 437.504 1.567 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCOCC1 1722697692 PTCRGBQYFGXCPG-UHFFFAOYSA-N 437.504 1.375 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722699708 MQMQBYPZUGUJPJ-OPAMFIHVSA-N 429.496 1.694 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1722706070 MHKDOMMJJKJUOC-MRXNPFEDSA-N 430.484 1.403 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)C1 1723009033 QWONTRNIRCIANV-BBWFWOEESA-N 434.541 1.940 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)cc1 1724437560 FFKHTFPEVMLOBW-CTNGQTDRSA-N 440.548 1.863 30 10 IDEE Cc1cccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)n1 1724527622 CGQFJVJVBOWDJU-UHFFFAOYSA-N 431.500 1.953 30 10 IDEE C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1726738948 BLQMNJCGSNBMRF-TWMKSMIVSA-N 440.570 1.022 30 10 IDEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1730490634 BVLCGCQSNQSKKN-RTBURBONSA-N 442.495 1.835 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cc2)CC1 1740581315 VBKAKTWUSPUPRO-MRXNPFEDSA-N 434.541 1.767 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1740626732 YRQRTMPEUWQVNM-ZWKOTPCHSA-N 448.618 1.662 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1740648111 CJUJEDWUAYXEQZ-QHCPKHFHSA-N 429.565 1.944 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nccnc2C)CC1 1740693108 UECXBPDYCZEFAK-JOCHJYFZSA-N 425.537 1.027 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740953720 PELOIALTXNTULV-GOSISDBHSA-N 448.531 1.742 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1 1740986752 GPWUQDLTNRFGDZ-CQSZACIVSA-N 433.600 1.116 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@H](C(F)F)N1CCOCC1 1741635705 ZEUNDTCKQCAFGS-LSDHHAIUSA-N 427.500 1.511 30 10 IDEE C#CCCCCn1c(C2CCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748709954 BUVADVUBPLGJNI-IBGZPJMESA-N 435.594 1.980 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1748810208 TVLQYOFRWFNYFH-SFHVURJKSA-N 427.530 1.868 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748818410 ZMFJIRHRPZOTJK-HZPDHXFCSA-N 436.484 1.735 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748818853 HICKZBXFJMSWHB-AEFFLSMTSA-N 433.553 1.585 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCS1(=O)=O 1748917273 SQWCDZYDTWRDRW-GOSISDBHSA-N 440.533 1.348 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCNS(C)(=O)=O 1748945375 RRDSYXKMTNIRLC-KRWDZBQOSA-N 435.525 1.500 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1748977329 GBAUTYBFZMAMNT-UZUQRXQVSA-N 440.523 1.791 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1749027455 ZQTPZCWXRLPJHJ-QGZVFWFLSA-N 443.573 1.850 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1749189183 BNWWDMDQTFSBQM-HZPDHXFCSA-N 444.540 1.608 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1749230204 UZVFIAFBUJEYIA-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749255698 HJTGNLGSILSFIH-IBGZPJMESA-N 435.937 1.960 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749399032 ZEKWSGGBGKRLGH-GDBMZVCRSA-N 431.493 1.722 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749411558 AKTRBDSQEOMMDF-SJORKVTESA-N 426.587 1.156 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1749537569 KSGLWEQWWYJKAJ-GOSISDBHSA-N 431.562 1.851 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749660371 OEFKTWHGCUGDEQ-MOPGFXCFSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749676534 UJTSNQAGPCYGTJ-KRWDZBQOSA-N 425.537 1.309 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1749698870 GKIHLJKUEKCFCQ-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)NC)CC1 1749740189 AKLWMGJVJDOWCE-MRXNPFEDSA-N 425.555 1.083 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)C[C@H]1C 1749878240 DBRGVBLSSLPPQQ-GOSISDBHSA-N 439.564 1.888 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCN1CCCO 1760179812 ZRFRGFMRCAAGEZ-CEXWTWQISA-N 446.596 1.965 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1760196977 OHEQRPHQFKVZRL-UHFFFAOYSA-N 435.513 1.007 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCS(C)(=O)=O)CC1 1760268214 NVPLIVVSXRJCRE-UHFFFAOYSA-N 443.573 1.654 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1760312998 HNVJKCFRBKBTFA-ICSRJNTNSA-N 444.580 1.942 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760373770 BQVPOGAIPFVXJB-XHSDSOJGSA-N 445.973 1.226 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760421550 SITGCRIOOKASAK-JOCHJYFZSA-N 443.552 1.685 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncn(C)n1 1760695825 ARQYGHNRZCTJLU-IBGZPJMESA-N 448.579 1.415 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1 1762697799 BWWHCNGCOKLLAA-MRXNPFEDSA-N 435.492 1.077 30 10 IDEE CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1763457756 VSHRMFLYGSNUCC-KRWDZBQOSA-N 441.536 1.574 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(C#N)C1 1766722230 RBCOXCKUZZQDSS-HXUWFJFHSA-N 448.597 1.599 30 10 IDEE CNC(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@](F)(C#N)C1 1767803952 GTESYEFAQSVKCQ-OAQYLSRUSA-N 449.531 1.971 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C#N)o1 1769131374 ITBNZOACJJUYLV-LBPRGKRZSA-N 425.449 1.337 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1770977643 XHHLAFQVUMRWIK-YCRNBWNJSA-N 438.532 1.661 30 10 IDEE C[C@]12C[C@H](O)[C@@H]3[C@@H](C=CC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O 1848436399 XYXBJCQEUAOEMY-BULBTXNYSA-N 438.413 1.451 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 1848613246 NYBUYVUDLSEROA-HXUWFJFHSA-N 441.557 1.623 30 10 IDEE C=CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1c(F)cccc1F)[C@H]1CCN(C)C1=O 1849208479 SDVYTSZGRGIKHN-SJORKVTESA-N 443.516 1.903 30 10 IDEE CCCn1c(C(=O)N2CCN(c3cccc(C#N)c3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1849872743 DDHQNHGIEZMZFY-UHFFFAOYSA-N 434.500 1.283 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCN(C)C1=O 1851732557 WRQYXKWKHRMYCE-IBGZPJMESA-N 435.546 1.341 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@H]2COc3ccccc32)CCN1S(=O)(=O)c1ccccc1C#N 1855717754 DMXZZHLGRPEVJI-PBHICJAKSA-N 425.466 1.482 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCCO3)C(=O)C23CCCC3)cc1 1856291021 JASCHIXONBVQHJ-SFHVURJKSA-N 431.514 1.800 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1=O 1856792830 XOOBOIPZYIFMCN-HOCLYGCPSA-N 428.894 1.363 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)COc3cn(CCO)c(C(=O)O)cc3=O)c2C#N)C1 1857882969 SFQWVOVEVWTUAX-NSHDSACASA-N 431.470 1.614 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc2c(c1)OCCO2 1862592793 KHPGOONTBYLQMG-HXUWFJFHSA-N 438.436 1.878 30 10 IDEE COc1cccc(OC)c1C(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870139215 FCQAOTPSHZUCNW-UHFFFAOYSA-N 432.396 1.634 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870559834 AXEAGUXNRBLBRA-IAGOWNOFSA-N 445.541 1.165 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871700777 WWUZADXOWQTITD-UHFFFAOYSA-N 447.547 1.938 30 10 IDEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1cccc(OCc2ccccc2)c1 1874432437 GFWZEEFCSVCACF-BHGWPJFGSA-N 438.513 1.953 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 1889620597 LBWVTJBENPIZEM-UHFFFAOYSA-N 430.574 1.369 30 10 IDEE CC#CCN(CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1900620328 JJAIEILUEPHAEI-HZPDHXFCSA-N 425.526 1.733 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1984924253 DKGXBAGEPIOUGM-AWEZNQCLSA-N 426.514 1.672 30 10 IDEE C=CC1(NC(=O)[C@]2(CO)CCN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993279103 AOYRTNCADQEUAV-HXUWFJFHSA-N 425.526 1.898 30 10 IDEE COCCOC(=O)c1ccc(N2CC(=O)C(c3nc(C)c(C(=O)OC)s3)=C2N)cc1 2084270594 HBCKWZUMYVRVRY-UHFFFAOYSA-N 431.470 1.758 30 10 IDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247918254 OGNMGCYCXTWBCI-SSEXGKCCSA-N 442.347 1.472 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255611939 YMDNHGWPVPRFSU-OKILXGFUSA-N 432.330 1.553 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630072 FINMJSIHCOIJAM-ZIAGYGMSSA-N 436.318 1.073 30 10 IDEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255631744 DGUSSIJYVBDSRV-CMPLNLGQSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255659566 UIKQYUXYKRZYBJ-UHFFFAOYSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255826189 MEGKODUZEFMWNW-RDBSUJKOSA-N 432.330 1.837 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1O 2330718252 JMBSXIKNUNADBW-UHFFFAOYSA-N 434.522 1.471 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2334270626 DMKGDSIOOSEZTN-BMFZPTHFSA-N 444.341 1.761 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2337193304 CJQHSUDOPGYKLC-RRFJBIMHSA-N 446.357 1.847 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 24351717 MPUDEHVUYWIXPI-ZDUSSCGKSA-N 448.467 1.412 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1 108636179 OZIQAUMNUUFADW-HIXSDJFHSA-N 439.497 1.848 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1=O 409515888 VHLMDXAAKVTXRJ-OAHLLOKOSA-N 441.435 1.780 30 10 IDEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCN(c3ncccc3C#N)CC2)c(C)s1 435795123 BWQOIIIRIABXOO-UHFFFAOYSA-N 448.574 1.442 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 437935020 QXOZXMWBZAUELH-ZJOUEHCJSA-N 444.580 1.532 30 10 IDEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c1 438363903 IJPNAJHMYKOUKV-KRWDZBQOSA-N 435.484 1.672 30 10 IDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440387345 UKTYNJOWPLEMPD-GOSISDBHSA-N 431.473 1.939 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 443336374 YADARZXZQPCHFA-UHFFFAOYSA-N 427.505 1.342 30 10 IDEE CC(C)Cn1ccnc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 466079641 PFLIRDMSEZOQNK-UHFFFAOYSA-N 430.534 1.627 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)o1 480953144 MBNRXROUTPHFCF-UHFFFAOYSA-N 441.484 1.805 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[S@](=O)C[C@@H]3c3cnn(CC)c3)cc2C1=O 489367597 LRHHMJQGIMWQGV-JJCDCTGGSA-N 426.498 1.631 30 10 IDEE COC(=O)c1nccc2c(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cccc12 500819874 BZSFEEMMMHRJBQ-UHFFFAOYSA-N 437.481 1.799 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(F)cc1 514331505 UBVHTRIDMDPXBS-ZDUSSCGKSA-N 443.525 1.754 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCS(=O)(=O)N2CCCC2)cc1 523671715 GNVINELXFWHPRA-QGZVFWFLSA-N 436.559 1.604 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O 537934525 QUIXRVAMDRMVOG-LBPRGKRZSA-N 426.351 1.057 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 542789555 PPMNYBNYWOYHIE-FQEVSTJZSA-N 439.541 1.710 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3F)CC2)n1 544880081 KDLUDMGXMWFDLY-UHFFFAOYSA-N 444.492 1.986 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 549287635 LWEJBVKRZFMOQK-UHFFFAOYSA-N 428.541 1.816 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C3CC3)n2C[C@@H]2CCOC2)CC1 555479073 MJTQQHZBUGQZLF-INIZCTEOSA-N 442.545 1.575 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@]4(CNC(=O)C4)C3)n2C[C@H]2CCOC2)cc1 569990647 CRKLEXWAYMKHTN-WZONZLPQSA-N 436.516 1.872 30 10 IDEE CCOCCOCCOC(=O)C[S@@](=O)CC(=O)Nc1sc2c(c1C#N)CCC2 586353249 WRQASCPUFRYKEO-NDEPHWFRSA-N 428.532 1.392 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCC(C)C)C1=O 726404307 VUIIWNJUVVULIU-VFOOBRQFSA-N 440.591 1.706 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 729282109 YEXRUQDCAUZTLG-UHFFFAOYSA-N 432.524 1.367 30 10 IDEE CCOc1ccc(CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732465506 GITCTRRNHZOMNW-MRCUWXFGSA-N 427.505 1.439 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C)c(F)c3)c2=O)cn1 735069681 YQLDYKXGTGYQCV-UHFFFAOYSA-N 425.489 1.202 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)C[C@H](C)O1 735308874 WVNGTPCPKAVHHU-HOTGVXAUSA-N 442.969 1.714 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C)c2=O)cn1 743725387 RVHYVSLBWXCOAX-UHFFFAOYSA-N 448.548 1.923 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3Br)c2)CCN1C1CC1 756779299 HTKVJSAINDSDFH-HNNXBMFYSA-N 443.305 1.772 30 10 IDEE C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 767698524 HRNRJRTVRSCXBS-HNNXBMFYSA-N 440.518 1.800 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NC2CCCCC2)C1=O 771581982 IDERLFZMAJJMCC-HJPURHCSSA-N 440.500 1.928 30 10 IDEE COc1ccc(C#N)cc1COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 772243400 KNGSWOJKSMFWKH-FOIQADDNSA-N 432.498 1.955 30 10 IDEE C#CCN(C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774194672 ZCWJZDBTBCXELC-MOPGFXCFSA-N 439.965 1.545 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 780207312 WNXDOFODLCERSA-HXUWFJFHSA-N 428.466 1.802 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCC#N)C1=O 784124415 JTPRDWKGRHHNBC-MRXNPFEDSA-N 430.534 1.089 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC 786839886 ACBFODZFJNMCNB-UKRRQHHQSA-N 435.951 1.565 30 10 IDEE C#CCN(C(=O)c1nc(Br)ccc1Br)[C@H]1CCS(=O)(=O)C1 790480472 LNLIYEHUWGTOBT-VIFPVBQESA-N 436.125 1.869 30 10 IDEE CC(C)c1nn(C)cc1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 797393457 NQNOFISVRIOFLQ-ULJHMMPZSA-N 446.533 1.934 30 10 IDEE CCCCCCCS(=O)(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 799768345 CABLRKXRUOLDCU-UHFFFAOYSA-N 433.376 1.801 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 810193945 YMZTVFBMFYJZDP-UHFFFAOYSA-N 426.498 1.670 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 812189459 ANVFUICKZPGEIF-QZTJIDSGSA-N 448.568 1.683 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)nn1 1124078512 OVIFTNMXDGTFFX-UHFFFAOYSA-N 430.317 1.918 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1S(=O)(=O)N1CCOCC1 1132643417 NZPRFZJUPBVHMY-HXUWFJFHSA-N 425.510 1.785 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1142022222 YLLYBYGLKYDFCS-INIZCTEOSA-N 445.586 1.351 30 10 IDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)S1(=O)=O 1160518689 GFYFPBZGHNIMNB-KIWHVSKTSA-N 425.551 1.807 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCC#CCN2C(=O)c3ccccc3C2=O)C1 1176178584 YZSHAEBACHKTCW-HSZRJFAPSA-N 427.501 1.638 30 10 IDEE C#CCN(C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1)[C@@H]1CCS(=O)(=O)C1 1251923014 BJTWMEXFFYOMJY-OAHLLOKOSA-N 432.951 1.466 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286394157 VBEGTGFMKPGBET-LJQANCHMSA-N 445.593 1.399 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1286423835 WYWIHYVBPABGSZ-NQIIRXRSSA-N 434.562 1.360 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1286428717 GBMFJRDUAQYYGS-HXUWFJFHSA-N 441.557 1.961 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1286473811 XVXFYKADPJLXMW-VJBMBRPKSA-N 431.581 1.625 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1286486259 KAVVKHXXFYDESK-MBSDFSHPSA-N 429.565 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(O)cc2)CC1 1286488073 KTDJCXBRACZLIZ-QGZVFWFLSA-N 441.532 1.722 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1286496860 XCNQFBJLFJNGHL-OAHLLOKOSA-N 449.602 1.826 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286784458 IBMZIKNTWUXFFY-UHFFFAOYSA-N 433.516 1.614 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286793714 KEDQIDADBISRDM-KNBMTAEXSA-N 443.552 1.552 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1286825180 MUTGKOSNGGJWCJ-OXQOHEQNSA-N 442.582 1.535 30 10 IDEE C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1288559689 CESUHLUHMXSUBZ-NUJGCVRESA-N 432.550 1.811 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(C)(C)Cc2ccc(C#N)cc2)c1 1289101346 GTWPHTGRHATBJJ-UHFFFAOYSA-N 444.557 1.888 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1290975771 FERGATWFBJJGEQ-INIZCTEOSA-N 430.516 1.993 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCOC1 1296535254 DQHICRGYGBGIKE-GOTSBHOMSA-N 440.548 1.505 30 10 IDEE C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)S1(=O)=O 1298817596 WJGJFRZLSQMSQM-VXGBXAGGSA-N 426.336 1.791 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1300336433 IJFAKMLVLBMZPB-UHFFFAOYSA-N 430.553 1.297 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1300382324 QEHFYMLBHJSGFW-UHFFFAOYSA-N 438.532 1.856 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CCOC[C@H]1C 1300439583 FOGTXLDIWWGXGA-MRXNPFEDSA-N 429.521 1.761 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1300622497 ZXIHRUOXDPRLBO-GHTZIAJQSA-N 436.560 1.958 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN(C)C(C)C)CC1 1300685062 FPXKOUYXTZXNKY-HSZRJFAPSA-N 432.613 1.804 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N[C@H](C)CC)CC1 1300688382 DJPWBUDAECYAGO-QGZVFWFLSA-N 439.520 1.913 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1300733678 LVJFZNPSTXICJX-MRXNPFEDSA-N 427.534 1.397 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC[C@H]1C 1300804504 QASKDPDNVNINNY-DNVCBOLYSA-N 434.504 1.831 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301217858 GQEDQGNMMIKBBM-HNNXBMFYSA-N 431.566 1.871 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1301809272 ORZPHCVBHXPUDR-GCJKJVERSA-N 446.552 1.495 30 10 IDEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1)N1CCOCC1 1303684064 ICMKETTZYKATCZ-SFHVURJKSA-N 437.548 1.743 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CNC1(c2cccc(C#N)c2)CCOCC1 1307941604 OTJGXFKKDJUALI-UHFFFAOYSA-N 426.439 1.633 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)s1 1312890628 MZUDRAQEVNLXEX-UHFFFAOYSA-N 425.458 1.280 30 10 IDEE CCO[C@]1(c2nnc(N(C)CCNC(=O)C(C)C)n2Cc2ccc(C#N)o2)CCOC1 1314090475 BASPALCTTDTQTK-OAQYLSRUSA-N 430.509 1.652 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358927748 ILKOIGUVJZWQEH-RHSMWYFYSA-N 436.472 1.368 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358936919 BMBZXUKCMDJPRI-UHFFFAOYSA-N 438.513 1.588 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1358948068 SYNJXAIXMRDRKW-HTAPYJJXSA-N 432.569 1.529 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1358967404 JRDLRXHWFKXROY-DLBZAZTESA-N 431.518 1.208 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1359025384 MJWAAFAYQMWUAY-GOSISDBHSA-N 437.566 1.197 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(F)c(F)c2)CC1 1359034414 PYSGDSAOVXZWCB-UHFFFAOYSA-N 425.443 1.848 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1359094522 BZPJXXNRNZLGKI-FUHWJXTLSA-N 432.550 1.403 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1 1359233378 BVUAFOPSEQDVNX-HXUWFJFHSA-N 435.550 1.623 30 10 IDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1359271833 FGHZKADUFZPXJJ-UHFFFAOYSA-N 431.566 1.675 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)CCC)CC1 1359303825 BXTHUICBIIQFTB-UHFFFAOYSA-N 442.568 1.327 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c1 1440827645 AGBZSDFFUNWLTB-UHFFFAOYSA-N 444.488 1.519 30 10 IDEE C=CCN1CCC(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1443526670 CBVFIZFAIQXZRI-FOIQADDNSA-N 427.567 1.035 30 10 IDEE O=C(C#Cc1cccs1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1464590087 KLISOUGSJKPBPW-UHFFFAOYSA-N 432.523 1.794 30 10 IDEE Cc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 1468041608 GRVCDHPVTDQKTM-UHFFFAOYSA-N 429.370 1.626 30 10 IDEE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCO[C@@](C)(C#N)C3)cc21 1475733636 HRCRBGZFGQKWBX-INIZCTEOSA-N 428.308 1.661 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)CCCOC 1499165064 RZTCWPFUSHRIAP-QGZVFWFLSA-N 427.557 1.186 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1504520619 FDTDVXIWCOWQQP-GUDVDZBRSA-N 445.545 1.492 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(C2CC2)C1 1504887523 BXNRFJBDWNZDLK-DLBZAZTESA-N 436.582 1.031 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1507626475 GAEGDQDUXVDZSG-GOSISDBHSA-N 445.545 1.107 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C 1507656479 IKLMRXXTYFATCH-UHFFFAOYSA-N 438.557 1.751 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCC1 1507710582 QXLVPLAPWDSHJC-UHFFFAOYSA-N 446.577 1.629 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2csc(CC)n2)CC1 1507719555 OQGRWMLIPXOMGL-JOCHJYFZSA-N 444.605 1.947 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1507884686 XONXJGWVNBNGOD-QGZVFWFLSA-N 427.505 1.814 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508058987 JPFDINSDPXRYOX-QGZVFWFLSA-N 433.582 1.039 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cscn2)CC1 1508090907 PXXCGGHRXQXWQH-MRXNPFEDSA-N 431.566 1.253 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508092947 SCZWUEUPMRWSCL-HXUWFJFHSA-N 449.559 1.953 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](OC)C2)cc1 1508096763 JTEGQEHPNRFTGI-CRAIPNDOSA-N 435.550 1.727 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1508415537 DBKOQOBKQTXHIW-KRWDZBQOSA-N 448.535 1.919 30 10 IDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1515444374 LNNULXZPLJIZCV-MRXNPFEDSA-N 431.518 1.267 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516804604 BWOCSTZFESUBPM-INIZCTEOSA-N 449.968 1.605 30 10 IDEE CSCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1520426647 PEEMFFIJSHQIGZ-YOEHRIQHSA-N 446.574 1.196 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccccc1S(=O)(=O)C(F)F 1533848706 GCSISYSFVLJIQZ-ZDUSSCGKSA-N 435.456 1.624 30 10 IDEE Cc1cc(C#N)cc(N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C2CC2)n1 1538639505 SKHUMDVLTHBJQE-UHFFFAOYSA-N 439.497 1.191 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1539204004 XMYZQACDMPEHMJ-SFHVURJKSA-N 447.536 1.425 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)O)CC1 1539489159 IIIPOXAOSFCURX-UHFFFAOYSA-N 429.496 1.733 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540872098 CMAJNVOHUNNBIS-UHFFFAOYSA-N 447.474 1.845 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)OC)CC1 1540874505 IRMKYCCXGRKPQM-UHFFFAOYSA-N 428.493 1.356 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1540980690 ZFIAHMRKGHAVLT-UHFFFAOYSA-N 433.472 1.395 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 1543315422 YFAWPNAWLYCMJF-JOCHJYFZSA-N 426.473 1.879 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1556665045 IHJLLRPCMYKKIH-INIZCTEOSA-N 425.526 1.639 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCC1 1588159383 VEEDXPXCQVITFE-UHFFFAOYSA-N 440.617 1.835 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1588223808 HGPJBJJHGRDCCO-HNNXBMFYSA-N 430.310 1.351 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588913906 SYJKTFGQCNJQLB-KRWDZBQOSA-N 430.459 1.730 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1589042779 NUUAQZYVIAWOOL-UHFFFAOYSA-N 429.546 1.791 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCCO1 1589495233 PVXPEBHKTQBJCA-BDXSIMOUSA-N 441.598 1.875 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1594998203 ZRUBDELNNVZHFQ-QGZVFWFLSA-N 430.534 1.775 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1)C1CC1 1595034331 ZKVHWHYRMIVWQS-MRXNPFEDSA-N 444.561 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC)[C@H](C)C1 1595838284 OHEUYBWYIBWWIT-SQNIBIBYSA-N 441.598 1.133 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)cc1 1612010383 FBDRINKGBBWZDP-UHFFFAOYSA-N 429.502 1.875 30 10 IDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OC(F)F 1619279661 BMRUYXXJHISDOS-ZIAGYGMSSA-N 448.430 1.616 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCCO2 1619913453 DEPSJCLFAHQSDO-UHFFFAOYSA-N 440.504 1.586 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 1625436830 SBVITZRQCHPWMZ-PGRDOPGGSA-N 447.557 1.978 30 10 IDEE N#C[C@H]1CN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CCN1Cc1ccccc1 1628965635 WISJOOUOELBGNO-NRFANRHFSA-N 434.496 1.606 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 1632960529 IZJHVELFLYYIAT-UHFFFAOYSA-N 426.336 1.093 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(NC3(C)CCCC3)n2)CC1 1632966003 HSSYPDMPTCGGRX-UHFFFAOYSA-N 425.580 1.042 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 1637034590 MDDHRTNQTZHGAG-LBPRGKRZSA-N 426.336 1.698 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 1647978028 UGVSFPGHMVVIDN-IBGZPJMESA-N 447.461 1.801 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CC1 1673447247 FQXKIUGNSOEJBQ-UHFFFAOYSA-N 444.561 1.672 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)CC1 1675827452 GBRAZGYXCQSUKC-UHFFFAOYSA-N 436.925 1.451 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1689996203 FATYXENXIKXUJF-KXBFYZLASA-N 438.575 1.411 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1690181154 PTMFBAZTQWXUSG-KRWDZBQOSA-N 443.577 1.917 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OCC)CCOC1 1690320065 ISBNRQRJOAQYKD-DXIQSLLYSA-N 436.553 1.907 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1690420190 KBTGYNSDUYIPLH-OAHLLOKOSA-N 441.602 1.342 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690654966 BPDPOUCTRLHRJV-ICSRJNTNSA-N 432.569 1.323 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690667641 BSGQTYBMCSYQMR-CQSZACIVSA-N 425.497 1.150 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCN(Cc2ccccc2)C1 1690668176 WDQWBSKGPDFAHB-FQEVSTJZSA-N 448.575 1.939 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)C1 1690697223 QRQUCXXOMCOZLQ-HZPDHXFCSA-N 434.541 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC(C)(C)C1 1690729289 KZUWHIJRUJBXNU-UHFFFAOYSA-N 439.582 1.395 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693822624 CHPVBFDFJXQKAP-JGWKNBOWSA-N 428.518 1.682 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705528679 OIZSWKIBSAGFJZ-UHFFFAOYSA-N 431.544 1.975 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1705546500 KEGHAVKMLKAFFH-GOSISDBHSA-N 439.442 1.921 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)cc2)CC1 1705648160 PEEHMBWHLWOZJP-HXUWFJFHSA-N 437.544 1.999 30 10 IDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCS(C)(=O)=O 1705725287 RPJQJLIBUCYZDT-UHFFFAOYSA-N 433.582 1.899 30 10 IDEE C=CCCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1705823460 MCCBCXWMOCNZAR-YADHBBJMSA-N 446.552 1.711 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1706069086 VYKHFNBYCWHOTQ-NVXWUHKLSA-N 433.534 1.750 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1N1CCOCC1 1706602954 FEHYABHMRPEBHN-OAQYLSRUSA-N 442.499 1.138 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OCCCO2 1722418856 FUWHMVQSMBZDMT-UHFFFAOYSA-N 427.505 1.712 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1722429992 YFFCLVSNOAYOFZ-OAHLLOKOSA-N 438.579 1.059 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2F)CC1 1722430506 DHCOEYNRTXUFBS-INIZCTEOSA-N 434.541 1.025 30 10 IDEE C#CCSCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1722463786 MXNDROSNAAHOIC-APWZRJJASA-N 442.607 1.310 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722464457 GONHWWFWABOMME-IAGOWNOFSA-N 439.607 1.500 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1722508416 SDJAAMDZMYHRPU-UYAOXDASSA-N 426.521 1.616 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCNS(C)(=O)=O 1722510251 SHMGFPQWKROFHX-IKGGRYGDSA-N 427.571 1.139 30 10 IDEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1726406131 MLROQQWJQYPSKI-DLBZAZTESA-N 427.475 1.416 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(CCN(C)C)CC1 1740559233 ZHXIAHPOTOSFBU-LJQANCHMSA-N 426.613 1.871 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1740600281 KUPBLILYWHILLZ-HSZRJFAPSA-N 441.532 1.827 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740604708 FHOMISTYEFDEFI-UHFFFAOYSA-N 449.519 1.857 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740636410 YWLVCSCGRBBICV-RBUKOAKNSA-N 440.573 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CNC(C)=O)CC1 1740953935 WGPBEZUYYFWOKC-UHFFFAOYSA-N 441.492 1.508 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1741131764 HMDRGELFOXFLRR-HZPDHXFCSA-N 436.582 1.567 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1745893690 AEZULHPUQCVYFE-OAHLLOKOSA-N 427.509 1.025 30 10 IDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748740537 UEMMJMNIQHOEDE-GOSISDBHSA-N 447.561 1.891 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@@H]1C 1748912300 BSZCYHLBWCEYSK-IIBYNOLFSA-N 446.577 1.546 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1748959563 XAIZTXCIXZQVFA-UHFFFAOYSA-N 436.520 1.045 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1748962290 DJRFJLVQJFJMNB-NSHDSACASA-N 441.298 1.254 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749038864 MJHHWVPZWGKIJU-FUHWJXTLSA-N 448.618 1.349 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)cc1 1749053678 JVFOAUNYOLTLGV-VBKZILBWSA-N 430.534 1.028 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1749128475 WMVYDCXQQOMPJY-HLIPFELVSA-N 430.553 1.515 30 10 IDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749401645 BLPPTIXHQLUHJL-LJQANCHMSA-N 432.569 1.119 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1749537214 CDIQWFWPTRRLPV-IEBWSBKVSA-N 449.577 1.839 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749652155 IYEREGRGTFRJAP-SFHVURJKSA-N 446.577 1.204 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749740801 KIEZMHRVIXZTAB-GOSISDBHSA-N 445.593 1.844 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750677690 JJWXXMITUPRPCX-GRNWLOBZSA-N 437.504 1.728 30 10 IDEE CC(C)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750905095 SXOJYABUIHSNDD-LDSGZGKSSA-N 443.552 1.577 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1750925057 WQDLUJIHHXPRPS-QAPCUYQASA-N 427.509 1.086 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)C1CCCCC1 1751227334 XOPCRQMMOUGAIC-BEFAXECRSA-N 441.577 1.595 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1752482267 JIUIRBYDNWFMLY-LSDHHAIUSA-N 446.533 1.188 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760143407 FSRYVRJMKAWPHP-KRWDZBQOSA-N 438.536 1.325 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cc(C)nn1C 1760176533 OIJOFSSPEPOWEZ-UHFFFAOYSA-N 432.576 1.802 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1760190033 XJZXXEDIMDRIBS-GOSISDBHSA-N 442.545 1.574 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1760220671 RRLDWYZUGKSMIV-UHFFFAOYSA-N 425.920 1.844 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1760233361 LSHWWQQKZFJBCU-IBGZPJMESA-N 438.557 1.933 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCN(C)CCOC)CC1 1760258549 OGMISCYULHLGKT-UHFFFAOYSA-N 433.560 1.827 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760358201 SIXFZQSYZBBAMJ-CEWLAPEOSA-N 446.596 1.364 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1760432575 KDZSDZZRBVALRV-AWEZNQCLSA-N 433.600 1.258 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1760522220 OEHXTWWJVLMBLX-JKSUJKDBSA-N 447.540 1.485 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCS1 1763077361 HCKAQDHFEYQFEQ-HNNXBMFYSA-N 447.586 1.698 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1768969891 SJEOUIZXBYSVNE-KRWDZBQOSA-N 445.545 1.841 30 10 IDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCCO[C@@H]2CCOC2)CCO1 1771539116 NXPQQMZOGVYOBV-UXHICEINSA-N 427.505 1.824 30 10 IDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N(C)c1nccc(-c2ccc(Cl)cc2)c1C#N 1851658279 QJUYRUKGUBLVPM-QGZVFWFLSA-N 432.889 1.839 30 10 IDEE COc1ccc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(OC)n1 1851665993 YWYXIUNKIRGWEJ-SFHVURJKSA-N 427.457 1.907 30 10 IDEE COc1cccc(C#CCNC(=O)[C@H]2C[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1852592953 QFDXSKTVQRYTBP-PMACEKPBSA-N 441.528 1.878 30 10 IDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1853000009 HWZUOXRDHJZLOC-QZTJIDSGSA-N 442.516 1.919 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1855354627 MVBJMZUVXMAEAX-KRWDZBQOSA-N 425.938 1.740 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858334418 HPQFQQFGVCZPJQ-KRWDZBQOSA-N 433.511 1.502 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCc2ccncc2)sc2c1CCC2 1872649831 QHTOBJNWYPXULY-UHFFFAOYSA-N 438.469 1.763 30 10 IDEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(NCCN3CCOCC3)ncnc21 1875227867 OWZDZTHMZXTHLV-IAGOWNOFSA-N 428.537 1.611 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CC(N3CCNC(=O)C3)C2)CC1 1892245232 HHWFYSAVPRYEQZ-UHFFFAOYSA-N 440.529 1.134 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988626783 JJCMHYIGLMBPQA-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124513561 CBVQLDODMMSNRT-CABCVRRESA-N 448.329 1.644 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2255544787 FQSOLAAIVNEFAH-HUUCEWRRSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825849 GQHKXRIGLFVMKA-YEJXKQKISA-N 432.330 1.696 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2255871045 RALKYTUVSRCICV-UHFFFAOYSA-N 432.330 1.811 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@@H](C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255881138 QWLGJWXMDFZPEG-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE C[C@H](CCOCc1ccccc1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255949464 YTYRYENIQJCGPT-MRXNPFEDSA-N 449.382 1.993 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)=NO2)C1 2256620024 DDWSTHAYKNCZPZ-NRFANRHFSA-N 433.314 1.893 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2267005768 OPTQMOCIKKZJCM-FVQBIDKESA-N 446.357 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)n1 2267180909 KVSFKSNTJUSENN-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1 2267269108 CAZURCRVUBVIGE-JKSUJKDBSA-N 449.357 1.424 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2269708479 HKKGRRLGGZKKAI-LJQANCHMSA-N 441.259 1.972 30 10 IDEE CS(=O)(=O)C1(C#C[C@]2(OCCC(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)CC1 2367797722 WRQOOZVYHBHXNR-LAUBAEHRSA-N 435.498 1.886 30 10 IDEE CCc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444379 XHFCWPKYVSZTID-IAGOWNOFSA-N 435.484 1.899 30 10 IDEE Cc1ccsc1[C@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N 101442915 FXZUNWZCVPSYBA-CHWSQXEVSA-N 427.486 1.707 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 109896240 HGSFRQUDYZRBEU-INIZCTEOSA-N 431.543 1.517 30 10 IDEE Cn1ccnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)c1=O 410150923 NYOKMLHDKWUREQ-UHFFFAOYSA-N 427.408 1.182 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 433940362 HTFSFZWYMUBDOP-IBGZPJMESA-N 431.562 1.591 30 10 IDEE COCCO[C@H]1C[C@H](CO)CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 446177675 QQBAVNUZTKVDAD-YOEHRIQHSA-N 433.896 2.275 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 460810794 SVNIAQMHPCSDJC-LJQANCHMSA-N 446.577 1.644 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cn1 462085545 BQVJZHYEGVTUAH-GOSISDBHSA-N 443.533 1.997 30 10 IDEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 463352702 UQFGHVHJHUSADB-KRWDZBQOSA-N 442.545 1.595 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(CN2CCOCC2)cc1 464825662 XQRFOVGZWYQRCH-SFHVURJKSA-N 435.532 1.601 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2CCN(c3ccccn3)CC2)cc1 469154654 WSMLPCJSSJNXTR-IBGZPJMESA-N 436.541 1.615 30 10 IDEE COc1cnccc1N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 474678601 BHKHKMBYAXTOLF-IBGZPJMESA-N 434.500 1.595 30 10 IDEE N#Cc1ccc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cc1 485764854 IDOJWNFBUGVLEM-NRFANRHFSA-N 449.536 1.932 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488825309 QWAIMASJOCFLRH-UHFFFAOYSA-N 434.474 1.264 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1C#N 489616361 DNLQQQMVMDPZKI-GOSISDBHSA-N 446.554 1.807 30 10 IDEE Cc1nn(C)c(C)c1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 505116760 FZJDEOZRHRKGAS-UHFFFAOYSA-N 430.534 1.167 30 10 IDEE COc1ccc(NC(=O)CN2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 506025657 AVLOHIXMLNQVNN-UHFFFAOYSA-N 436.534 1.280 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 508824999 JCLDLDGVLPOMEX-MRXNPFEDSA-N 444.561 1.583 30 10 IDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)C1 513784104 LEBRWCAMGIJWNL-QUCCMNQESA-N 432.590 1.644 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2cccc(OC)c2)CC1 516250532 BRFYYRDADCBRQK-UHFFFAOYSA-N 429.546 1.419 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)n(-c2cccc(F)c2)c1C 533434251 DAKPAZRBZDUGGX-INIZCTEOSA-N 433.509 1.667 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1 543481918 ZGGOXPYWQQJPJB-HXUWFJFHSA-N 446.960 1.830 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)n1 558738922 VKHLMCWBYQYEDZ-UHFFFAOYSA-N 446.532 1.823 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H]3CCCO3)CC2)c1 566385120 UBWPRRIYUIGWOF-SFHVURJKSA-N 436.520 1.286 30 10 IDEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)NCc1ccc(C#N)cc1F 585696213 ZDOQNFUXRMFNBU-UHFFFAOYSA-N 446.504 1.458 30 10 IDEE CN(C)C(=O)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 610143424 VTUNKPLRIACXOO-UHFFFAOYSA-N 442.501 1.193 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)C1 619850156 TXIAYBIDCRQBAF-QZTJIDSGSA-N 430.534 1.514 30 10 IDEE C[C@@H](C(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)n1cccn1 732707183 VKZQZPWMYFCUCL-HNAYVOBHSA-N 435.488 1.220 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)Cc2ccccc2C1 737985712 XEZVLLQYEFTIHE-LJQANCHMSA-N 441.553 1.786 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F 743229426 HMHFXTUGGOLYRZ-XJKSGUPXSA-N 431.468 1.711 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2cccc(C#N)c2)[C@H](C)O)cc1C 748216992 HSELJSFOTUPDOK-YWZLYKJASA-N 430.482 1.629 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 749933561 LPZZOYLBMQNPRR-DOTOQJQBSA-N 443.510 1.128 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@](C)(CO)C(=O)O 757298225 ICSQRDIULPWSHI-YKSBVNFPSA-N 436.464 1.869 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCCO3)c2=O)cn1 758121198 ZNIZVWUQDRRQFZ-QGZVFWFLSA-N 428.558 1.814 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 761630404 PDSDRLFGZPUJDS-UBJVEFMGSA-N 436.538 1.425 30 10 IDEE C#CCN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 769681312 AKKGNVLPZNZOOY-PXNSSMCTSA-N 429.542 1.500 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCCNc2ncccc2C#N)C1=O 771308368 XJGGNHDRASIKKN-JOCHJYFZSA-N 436.472 1.266 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774215359 FESHKOUCIUJDNF-CVEARBPZSA-N 443.447 1.643 30 10 IDEE CCn1nc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOC)c2ccccc2c1=O 802494301 AMDJVWAHELFPDT-QGZVFWFLSA-N 448.531 1.498 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCNC(=O)OC(C)(C)C 803034916 LMOXUSUXPWPFBT-MRXNPFEDSA-N 425.507 1.932 30 10 IDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812432631 DFLJANBRNBUIGH-PKOBYXMFSA-N 432.546 1.852 30 10 IDEE CCN1CC[C@H]2OCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 818039505 ZFYPBIJODUYUKU-RBUKOAKNSA-N 448.589 1.607 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cn(CCO)nc2C2CCOCC2)[C@H](C#N)C1 856675608 AYDLUYRRIINOGM-NVXWUHKLSA-N 433.509 1.258 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1=O 915821634 UNIIVZIUKMOMNR-UHFFFAOYSA-N 428.422 1.359 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 1135967100 MKXIKUYBWUFWAG-IBGZPJMESA-N 444.488 1.107 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1148505949 RBBJQBITBFNLEY-DYVFJYSZSA-N 446.451 1.380 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156669832 KHYJWRDCVKORCD-FIKGOQFSSA-N 433.530 1.519 30 10 IDEE CCOc1ccc(-c2nc(CC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cs2)cc1 1159491570 YFARHFOMNJYMAM-UHFFFAOYSA-N 437.481 1.969 30 10 IDEE N#Cc1ccc(C2(NC(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CCC2)cc1 1163512204 ODLSPUZNHGGABG-INIZCTEOSA-N 438.509 1.754 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC(=O)Nc4ccc(C#N)cc43)C2=O)cc1 1274999812 VWEDBDRMXIAUOJ-QFIPXVFZSA-N 433.424 1.319 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286325401 XWWHVDSHYJURQR-ZWKOTPCHSA-N 425.537 1.983 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1286361255 MXDVJUJTBFSCHO-QGZVFWFLSA-N 445.593 1.781 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286393956 MOWLLGFJINUOSO-MJGOQNOKSA-N 445.589 1.454 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286434716 UTNWVLXNEGLACS-OAQYLSRUSA-N 446.504 1.009 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C 1286458634 AAOJJGWFDBGIEL-MRXNPFEDSA-N 447.609 1.583 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)CC1 1286475223 ZSNKCODTQVGURP-UHFFFAOYSA-N 433.940 1.761 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCO[C@@H]2CCOC2)CC1 1286482172 MXACHXCZZYOOCB-OAQYLSRUSA-N 439.560 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO2)CC1 1286488931 YMFCEDSPYGYSQZ-XXBNENTESA-N 445.564 1.464 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1COCCO1 1287033862 YPSGOYPXYFYGTA-GOSISDBHSA-N 425.537 1.875 30 10 IDEE CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293867403 BKKXFSKFMOMVPG-IGGDJGDASA-N 443.552 1.913 30 10 IDEE COC(=O)CN(CCC(F)(F)F)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1294531870 HNDGDGVLMUJSIF-UHFFFAOYSA-N 435.424 1.459 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1)c1cc[nH]n1 1300244050 UDSUZMTVDCNAHU-HXUWFJFHSA-N 434.880 1.857 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300336987 RMZGVKNDPKGVGS-UHFFFAOYSA-N 443.596 1.308 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300482803 HFBVMLACWUYQDU-RTBURBONSA-N 436.626 1.054 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2CCN(C(=O)OC)CC2)CC1 1300703986 XUGRPZKXJCFTQV-UHFFFAOYSA-N 437.548 1.498 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1301452541 QSRFBJCFZBKDOD-LSDHHAIUSA-N 430.513 1.218 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301508688 QRXIOUNWOAQEER-MRXNPFEDSA-N 440.577 1.739 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1301542446 NWDZOFYDKTYWQE-SFHVURJKSA-N 432.488 1.751 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCC[C@H](O)C1 1301806337 CSCNHRAUDFADDS-CVEARBPZSA-N 430.509 1.923 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC[C@@H]1C 1302293929 UEKZQYHTMTYORJ-ZVVDCOBXSA-N 432.569 1.853 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(Cl)nc1 1303836116 HZUIDJNPQVASBO-ZBEGNZNMSA-N 427.893 1.427 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1[C@H]1C[C@H]1C 1303862064 HOMREGUYEFOAKL-YCPHGPKFSA-N 430.538 1.062 30 10 IDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)COCCO1 1303992121 IKQLIUKAXGKSBT-VGSWGCGISA-N 440.504 1.236 30 10 IDEE CCc1nnc(N2CCC(N3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306143332 WYJYFUSPNVROQT-MRCUWXFGSA-N 427.553 1.822 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 1308017748 NEFGPHWXOTVZKF-IFMALSPDSA-N 427.524 1.510 30 10 IDEE CSc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 1313293222 XEAPRCADAYFPPV-UHFFFAOYSA-N 448.574 1.538 30 10 IDEE COc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1315507642 RROUSZRRZPDRED-DOTOQJQBSA-N 429.477 1.932 30 10 IDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)CC1 1316535771 ZVIDGMYNXNMYBS-IBGZPJMESA-N 429.569 1.377 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1cc[nH]n1 1358889722 FVDVUSSCWYZRCH-INIZCTEOSA-N 448.535 1.063 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1358963930 QESUXQYYRVRSLU-SJLPKXTDSA-N 448.520 1.627 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358965296 RVDCHBFYSXDODE-GHTZIAJQSA-N 431.562 1.298 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1358967881 UYWZFOUTELYGIH-PKOBYXMFSA-N 448.520 1.974 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1358976474 FSVVVNCBYCFTFJ-UHFFFAOYSA-N 446.902 1.815 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1358978229 GWKLWURPMXECAV-LJQANCHMSA-N 439.541 1.485 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1359023457 LCEYKMHLJSRBGU-MRXNPFEDSA-N 445.907 1.788 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359039607 OQTMPHJJAQHPBS-SFHVURJKSA-N 428.512 1.053 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359048222 JCYYEEJHKKMROY-QGZVFWFLSA-N 427.578 1.683 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359048236 JNHAGQWCTBSEKT-KRWDZBQOSA-N 429.550 1.192 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1359275169 MDDASVGFICOLQM-IBGZPJMESA-N 445.589 1.894 30 10 IDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1359747427 BGGIIFUJIVWQNX-FQEVSTJZSA-N 438.532 1.927 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3cc(F)c(C#N)c(F)c3)CC2)c1 1448187821 QBZWKOMGEQMIGA-UHFFFAOYSA-N 448.495 1.913 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)c1 1450454707 IXFAWEOPSWKRDT-UHFFFAOYSA-N 429.429 1.895 30 10 IDEE CN(CC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1454673819 CFYYIUCGZAGKKW-FQEVSTJZSA-N 443.485 1.694 30 10 IDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)c1ccccc1 1461151257 ZWMNKEHKJKMKAT-IBGZPJMESA-N 444.509 1.829 30 10 IDEE CC(C)c1nc([C@@H](CO)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cs1 1469598517 UYAQCBFJNADJFM-CQSZACIVSA-N 436.559 1.935 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCCC#C[Si](C)(C)C)C1 1469982809 CWRZYGRJCSAWGN-DNVCBOLYSA-N 428.627 1.655 30 10 IDEE N#Cc1c[nH]c2c(F)c(F)c(F)cc2c1=N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1472894744 ITDDPPNRGVIUMJ-RCAFAUGRSA-N 438.431 1.569 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCCc3cccc(OCC(F)(F)F)c3)C2)c(=O)nc1O 1478505936 VMMLOSBGCLMCRI-UHFFFAOYSA-N 437.378 1.571 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cs1 1492681579 AZHQVKBBLXJBTJ-HNNXBMFYSA-N 436.563 1.330 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCC[C@@H]1C 1503108377 FOVWINDGJPDVLZ-PNLZDCPESA-N 440.552 1.742 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCCc2ccccc2)CC1 1505325401 HGISKEVLIGJYJW-UHFFFAOYSA-N 449.559 1.889 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1507590335 CXCRFCCNHYZMIL-SFHVURJKSA-N 433.578 1.432 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507630305 WQPYIWHFNVPIEX-OAHLLOKOSA-N 441.504 1.582 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507630398 YCARZADGYPEQII-INIZCTEOSA-N 446.529 1.462 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N1CCOCC1 1507694721 QVZWDVIWDPNRIN-GOSISDBHSA-N 442.589 1.995 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507848174 NTAZFEFYRHBGTP-QGZVFWFLSA-N 426.525 1.784 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOC[C@@H]2C)C1 1508129334 DRIGLCZMBXTWFZ-PMACEKPBSA-N 429.569 1.642 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCOC1 1511971102 NKTCFBNXCBSBGH-HKUYNNGSSA-N 438.532 1.927 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1515891922 HPFQEYZZODUTPF-QZTJIDSGSA-N 427.528 1.839 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CC1 1521115009 MOKLGKMJBHYXOS-GOSISDBHSA-N 436.582 1.033 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)c(C(=O)OCC)c1C 1524508942 LWUBSHVXTACKGU-GOSISDBHSA-N 444.531 1.986 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n1 1531364404 ZWHRROZAWLNEFT-GOSISDBHSA-N 432.521 1.072 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1539210575 WJRZDWFZDFGQCH-HNNXBMFYSA-N 426.278 1.696 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539215778 IWLVKVXOTQKCLS-FQEVSTJZSA-N 427.574 1.914 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CC)c1 1539416417 NUFMSVNZGLSPIC-UHFFFAOYSA-N 449.563 1.803 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCCCC2)CC1 1539459250 AWBHARYNTSHMFK-UHFFFAOYSA-N 442.589 1.720 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)COC)CC1 1539488732 OAFYFHNXUYFQFE-INIZCTEOSA-N 427.553 1.388 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1539721948 JIRBJWGHFVMEHD-UHFFFAOYSA-N 431.516 1.870 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CN(C)C1=O 1540054322 PCMUIWCAJZPZJE-HXUWFJFHSA-N 432.550 1.296 30 10 IDEE C=CCN(c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1540115282 CYRIYUZRHLSMCM-OAQYLSRUSA-N 448.545 1.570 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1540900216 OKTKNAQUGXPTML-UHFFFAOYSA-N 432.550 1.397 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CC(=O)c4ccccc4O3)C2=O)cc1 1544633278 NUGGAOKSOKQQIT-WMZOPIPTSA-N 432.436 1.913 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 1545824343 VCFGRICUQZXYFY-INIZCTEOSA-N 433.287 1.980 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCOC)CCN2C1=O 1547606715 XPYVUJBECZPWMS-SFHVURJKSA-N 437.504 1.716 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1552391325 CLIAXHIMSVUVRD-LJQANCHMSA-N 443.577 1.431 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@]2(CCSC2)C1 1557145787 LLYUSFDYSLLJRV-JXFKEZNVSA-N 437.587 1.874 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn(C2COC2)nn1 1587581085 VMHOGVVXIVNQFL-CQSZACIVSA-N 441.517 1.018 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cccc(C)c2)CC1 1587807807 JBRLKSVXOLBKEU-IBGZPJMESA-N 444.605 1.932 30 10 IDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1587942165 GNUKJCLAFDLYNE-UTKZUKDTSA-N 449.529 1.138 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588069098 HHSMKJYTBVNQFZ-MRXNPFEDSA-N 449.602 1.942 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1588848919 QXHQMOONLNSTMO-NRFANRHFSA-N 441.601 1.900 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC=C 1589171748 QWZSOMXKDMUNQA-OAQYLSRUSA-N 427.530 1.643 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOCC2(C)C)CC1 1594193175 PSSHBXMRKJOYDS-INIZCTEOSA-N 440.614 1.402 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1595884096 HOXNFPRIVQYDGB-GJZGRUSLSA-N 427.596 1.062 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)Cc2ccccc2)c1 1596336189 FRVUSPOTCDDSHO-UHFFFAOYSA-N 434.539 1.333 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)CCO1 1596673547 FBWMYFRUISBNLE-INIZCTEOSA-N 438.410 1.632 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)s1 1597388647 QGISMQAEDWJPHG-SFHVURJKSA-N 437.518 1.594 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1598089662 KFJKXRBCODWGDK-IBGZPJMESA-N 426.521 1.831 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCC[C@H]1C 1608453910 OIBQVXOZZNDOBC-JLCFBVMHSA-N 439.520 1.502 30 10 IDEE C=CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1617218033 WZTZHQJGFYUCAB-NRFANRHFSA-N 427.545 1.730 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)cc1S(=O)(=O)NCC#N 1625768402 NDHKTIFBQNXIHK-KDURUIRLSA-N 433.578 1.085 30 10 IDEE Cc1noc(C)c1COc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1626655421 FLDXBFZAAUQUPC-UWJYYQICSA-N 429.498 1.810 30 10 IDEE C#C[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1631298526 KEWFNAKQJNSEAY-ZFWWWQNUSA-N 445.463 1.490 30 10 IDEE CN(C)C(=O)N1CCC(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1632252824 FDBMYROBSCDPOP-UHFFFAOYSA-N 435.532 1.991 30 10 IDEE N#CCN1CCC(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1633564265 CSYRVMGZEKAWLY-UHFFFAOYSA-N 442.541 1.836 30 10 IDEE Cc1ccc(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1638811383 VTJOZLUSYSXKGR-IBGZPJMESA-N 440.525 1.575 30 10 IDEE CSC[C@@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1639989117 KEZWWHYSSSWDDJ-GUTXKFCHSA-N 432.571 1.993 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1640219074 OETCNMZTNYDJPM-HXUWFJFHSA-N 440.525 1.776 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1642387726 AGGBGJZGJFFEIN-GOSISDBHSA-N 429.542 1.612 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1643859011 WGKFPGKVUHQNQU-AWEZNQCLSA-N 443.547 1.203 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Oc2ccccc2CC)c2ccccc2)CC1 1644281616 IJNHOVKBXKZFKS-JOCHJYFZSA-N 441.553 1.981 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1644596795 MNXIZEZRIABXBS-MRXNPFEDSA-N 437.537 1.553 30 10 IDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648939967 GWZJLTAYUVUPPR-IBGZPJMESA-N 426.496 1.843 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 1653252327 ZFRWKDZEUMHWCC-MOPGFXCFSA-N 446.548 1.651 30 10 IDEE C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1668939268 VFPJBGWNWQHYCL-UHFFFAOYSA-N 428.514 1.883 30 10 IDEE N#Cc1ccc(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)s1 1673448506 KBMLXTTUCIYEKE-UHFFFAOYSA-N 434.499 1.263 30 10 IDEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1673844046 VKOIRPCFOBCJKW-LAUBAEHRSA-N 448.545 1.791 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1676031100 RNWQFTIUJHIASR-CQSZACIVSA-N 430.983 1.515 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cccn1 1689835584 PFMNCQSFMRWBMY-QGZVFWFLSA-N 441.561 1.940 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCS(=O)(=O)NC 1689955291 AVNCZHUVNJYRCG-UHFFFAOYSA-N 442.339 1.335 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N1CCOCC1 1689966114 LBZIIJXIIXEGQD-IAGOWNOFSA-N 449.602 1.385 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1690043894 RSZVOQUAZPHZBH-UHFFFAOYSA-N 439.426 1.438 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1)C1CC1 1690543700 NCZNCGTUMNOOBT-OAHLLOKOSA-N 432.525 1.678 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690744422 OVWASNZOUVXAIQ-DLBZAZTESA-N 448.593 1.858 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691512596 KQLDYGNWJYKZHA-KRWDZBQOSA-N 442.955 1.942 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1696477603 FALNCMLGQPOBDV-LJQANCHMSA-N 447.561 1.882 30 10 IDEE C#CCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705538985 GNTWFYCHBJIKJE-NHCUHLMSSA-N 436.578 1.747 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1705550236 VQAMZMNOWJZNGP-UHFFFAOYSA-N 431.504 1.804 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1705628619 LSEPTDKXLVOCCY-OAHLLOKOSA-N 437.591 1.528 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](OC)[C@@H](C)CC)CC1 1705636351 GSPRPWONWBOOIE-RXVVDRJESA-N 449.563 1.737 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)CC1 1705705549 ITXFFJULWAGOBN-UGKGYDQZSA-N 446.596 1.540 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1705825500 VJGBBLDXYPVFJX-INIZCTEOSA-N 437.508 1.988 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCSCC1 1705895318 BOQCPKJERGYQLF-UHFFFAOYSA-N 433.534 1.826 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1cccs1 1705904721 WCBCXKHGOCPTEZ-JKSUJKDBSA-N 449.602 1.755 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCO[C@H]2C)C1 1705914078 GFUGDROVFINCAH-MRUHUIDDSA-N 428.493 1.247 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCCO1 1705934245 GLLQIYWZBUIJDV-CQSZACIVSA-N 437.522 1.222 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NCC(F)F)CCOC1 1706669560 QETVRYQHPGJBOJ-HXUWFJFHSA-N 440.495 1.830 30 10 IDEE C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1708126662 XOTYDOHEURCDFD-RVKKMQEKSA-N 448.549 1.606 30 10 IDEE COc1cc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1711671115 JMPOFZYKTSIYSW-SJLPKXTDSA-N 429.477 1.286 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCN(C)C1 1722346510 RRCGBTNVQYOCDJ-IBGZPJMESA-N 434.338 1.852 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1noc(CC)n1 1722356371 MZTGRTDSPTZGNT-UHFFFAOYSA-N 448.575 1.900 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(C)c2C)CC1 1722435935 SAKXDAOHZIKLBV-UHFFFAOYSA-N 435.532 1.808 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722444995 RJEWWDVQZQCJNY-SJORKVTESA-N 435.594 1.582 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)CC)CC1 1722523117 BHRAISKNYHQAQD-GOSISDBHSA-N 440.614 1.498 30 10 IDEE C=CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1722650288 WAUFBYPOWPLWOG-UHFFFAOYSA-N 433.516 1.702 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722725009 BYXKUOUILWYPMF-HUUCEWRRSA-N 443.595 1.142 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1722732373 LBBMIOLZYCFUHF-SJORKVTESA-N 442.655 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2cncn2)C1 1722749684 ITCTYSQJLRZOFL-INIZCTEOSA-N 431.522 1.880 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1729556414 DVBWTERLVQOLMA-NQIIRXRSSA-N 445.545 1.636 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCc1nc(C)no1 1740611068 SQBBFAPKLFIBOU-INIZCTEOSA-N 445.524 1.980 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1740632474 ROPBUWXFXFRZGG-XMMPIXPASA-N 435.528 1.733 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1740644352 CMPGRPJPDAPQRH-IEGUWTFLSA-N 445.564 1.909 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccccc2Cl)CC1 1740688269 CKJRHGXAMUUVAG-UHFFFAOYSA-N 430.940 1.904 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740720606 FOFIECXJJAXVJT-OAQYLSRUSA-N 439.633 1.847 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1740818648 PXYAJVNGOKGAES-JKSUJKDBSA-N 425.555 1.588 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1740951579 IUZDEWOHOFJJAB-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740961866 KSPHCDCAWIGGRF-SFHVURJKSA-N 436.520 1.717 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740964549 DYTABYAFJHTUJY-INIZCTEOSA-N 442.545 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Cl)C1 1740979239 CFQXSDRUTXAZGO-CABCVRRESA-N 431.946 1.145 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H](C)O1 1743246095 VBPHWQZHAHRXOO-HOTGVXAUSA-N 433.534 1.492 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@@H]1C 1747405385 BMFNMYCQPRBIPN-QRWLVFNGSA-N 433.534 1.228 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(S(C)(=O)=O)cc1 1748956591 UKJIUDIRFZMBOW-UHFFFAOYSA-N 427.530 1.821 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCc2cnn(C)n2)CC1 1748998990 DURBJBOUKFKLPI-UHFFFAOYSA-N 448.575 1.990 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2nnc(C)s2)CC1 1749014444 JXXKONUVSGSLTP-QGZVFWFLSA-N 443.577 1.541 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1749048412 NMWFATGBDRAMPI-INIZCTEOSA-N 442.545 1.446 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1749670046 NWXMUTVHMYMJTN-CABCVRRESA-N 430.475 1.895 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)N2CCOCC2)C1 1749692902 CSNHWSMLLKRUCJ-MOPGFXCFSA-N 434.585 1.554 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1749718769 IAEHIPLDTPBKRZ-HTAPYJJXSA-N 431.512 1.844 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749729475 KZJCRNDDIVLNQA-UHFFFAOYSA-N 446.577 1.636 30 10 IDEE COCCN(C)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1749778197 DHRIILUMKYAGKV-NRFANRHFSA-N 448.531 1.763 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCOC3)n1CC(=O)NCC(F)F)C2 1750382874 YURVVVQFIQQDLC-LBPRGKRZSA-N 447.446 1.088 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1751017281 LOUWDRORILTLGF-SVMVAKDDSA-N 433.553 1.989 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1760098504 SXSUCZRHOWILLE-ZIAGYGMSSA-N 435.506 1.154 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC 1760106870 IBACAZVDQKCFKG-GFCCVEGCSA-N 426.340 1.715 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1760118175 ZIVUTVWOJMBZQV-HUUCEWRRSA-N 433.509 1.207 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CCC1 1760172113 MQVLQILQUDBUPG-PMERELPUSA-N 427.578 1.823 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189202 GMLOJXCMWLRMEC-RLLQIKCJSA-N 443.573 1.706 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1 1760242989 AVXFDIGUBOOCPM-HKBQPEDESA-N 443.573 1.527 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1760259250 JAJTZQFYRBQZME-PRAQEBQASA-N 427.574 1.464 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1760263394 ZJRKATYIMLQISQ-SFHVURJKSA-N 440.514 1.639 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1760456838 YLPAGOGTJVDOSG-CYBMUJFWSA-N 437.513 1.341 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760522918 GOSHCIIRRCIIID-UHFFFAOYSA-N 438.536 1.409 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1761451479 VLIONUDPTWWXDC-INIZCTEOSA-N 445.545 1.945 30 10 IDEE NC(=O)CC1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1770778707 XUWCGBFBQPVSSP-LSDHQDQOSA-N 449.515 1.563 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1 1771112167 HKKPCRDHYZRHAE-JKSUJKDBSA-N 427.596 1.832 30 10 IDEE COc1cccc(C#CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1850152892 SLPMQIOQCXICNR-UHFFFAOYSA-N 430.482 1.303 30 10 IDEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1870097799 XSDBMBZHFRJMPV-UHFFFAOYSA-N 429.374 1.815 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1984989716 GESPQLOHFCASRR-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987543412 VRLDSKXYVSUJQJ-OAGGEKHMSA-N 425.526 1.780 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 1993665482 GLKIBLXJRVWAJT-OAHLLOKOSA-N 425.526 1.639 30 10 IDEE C=CCn1ncc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2106092745 GRFMPUZTLRTPBX-DGCLKSJQSA-N 429.315 1.832 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCN)cs1 2121175309 XPZFXLWHNMTZMZ-CQSZACIVSA-N 431.539 1.725 30 10 IDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248405867 UGDLYIUZORPREN-LLVKDONJSA-N 438.359 1.843 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406074 VPKAXTAJFZOFJE-NWDGAFQWSA-N 438.359 1.891 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406075 VPKAXTAJFZOFJE-RYUDHWBXSA-N 438.359 1.891 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2255641671 UZBVCCGPHBCOIE-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255656339 ZJWIQWPVLLXLHF-AWEZNQCLSA-N 436.362 1.998 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255658326 BOIHWYJLIYEOHM-UONOGXRCSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255813740 QOGZWEGETYBTGC-NRFANRHFSA-N 436.314 1.681 30 10 IDEE CCn1cc(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255814880 FRERQLZSGDEHGA-UONOGXRCSA-N 434.346 1.845 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822727 OTYQNMKUNQPPMP-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255827015 FZYAXRXYLRPWDC-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)[nH]n2)OC1(C)C 2267143845 NSORECCPYYNXRI-GOSISDBHSA-N 440.353 1.730 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2267483459 SJMKABVYHUWHQT-SFHVURJKSA-N 435.337 1.569 30 10 IDEE C=CC1(NC(=O)c2c(C)nn(C)c2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267529144 JMNFDFAYPRIKFD-UHFFFAOYSA-N 446.357 1.933 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)n1 2267541582 GCKSVDHBCCZXKM-NFAWXSAZSA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267547894 BYLSWYZFQAYQKL-UHFFFAOYSA-N 444.301 1.198 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]1C2 2267549970 SKTKRHFUVIAPGM-NUEKZKHPSA-N 444.341 1.904 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 2267596691 LCCHLLARERDLNU-CQSZACIVSA-N 449.361 1.490 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2267597348 PLANFLSFKBJIFW-INIZCTEOSA-N 449.357 1.690 30 10 IDEE COc1ccc(OC)c(-c2ccc(=O)n(CCC(=O)N3CCN(CCC#N)CC3)n2)c1 20149 RXBCVPGIESBYCI-UHFFFAOYSA-N 425.489 1.375 30 10 IDEE NC(=O)CC[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C/c1cccs1)C2=O)C(=O)O 33553642 HIXCLYZMFJEMTD-BRYYZUPOSA-N 430.438 1.578 30 10 IDEE CCCCNC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@@H]2CCCO2)CC1 46022159 LRZRHPMMQZOTJD-FQEVSTJZSA-N 445.564 1.675 30 10 IDEE CN/C(=N\CCO)S[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 59490307 IKUIOAYLJNSECN-NSHDSACASA-N 433.271 1.224 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(NCc3ccc4c(c3)OCCO4)=NC(O)=C2[C@@H]1c1cccnc1 72472471 XTYDFNHZGPMQKR-RHSMWYFYSA-N 430.424 1.533 30 10 IDEE CN1CCC(C/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)(N2CCCCC2)CC1 305041014 VOTNZLOJXIFGMS-LJQANCHMSA-N 434.629 1.817 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 429465168 KJOHSXMDCGEOQA-WTANOLMUSA-N 439.495 1.706 30 10 IDEE Cc1ccc(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cc1S(=O)(=O)NCC#N 441453726 BLLLTZMSVIYXJJ-UHFFFAOYSA-N 429.424 1.821 30 10 IDEE N#Cc1cc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)ccc1OC(F)(F)F 443289056 ZHDMRPGCUMVMQE-UHFFFAOYSA-N 434.378 1.924 30 10 IDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460773951 WJKUYKJKGIXPPD-MRXNPFEDSA-N 427.571 1.583 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 470322903 NGTOKKPFTFAMGF-UHFFFAOYSA-N 436.515 1.403 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)o1 471187738 NLASSGPWOAJCGM-QGZVFWFLSA-N 429.542 1.519 30 10 IDEE Cc1c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 473431841 CQXZOSVPHDNZHK-UHFFFAOYSA-N 433.468 1.496 30 10 IDEE COc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)sc1S(N)(=O)=O 482630506 AIKNSIQXICQBHB-UHFFFAOYSA-N 434.543 1.692 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CC)n2nnc(-c3ccc(Cl)cc3)n2)CC1 492398870 ZMZUFYHLKPNFOK-KRWDZBQOSA-N 431.928 1.391 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(Cc4cnc5ccc(C#N)cn45)CC3)C2=O)n(C)n1 507886354 BTUYASZJHDEAMM-FQEVSTJZSA-N 432.532 1.561 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 519493380 ULFHJXKUBRNACG-AWEZNQCLSA-N 431.583 1.740 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)CN3CCN(c4ccccn4)CC3)cc2C1=O 523999241 FYADFDBEHHGNMG-KRWDZBQOSA-N 433.512 1.804 30 10 IDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 544864072 PLCROCCBUIIKQS-UHFFFAOYSA-N 427.530 1.251 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)c(F)c1 561833007 LRVHWNXCOSJBFX-IBGZPJMESA-N 435.459 1.268 30 10 IDEE COc1cc(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)ccc1C#N 582274077 ZZQNZRLLMGVNEG-UHFFFAOYSA-N 436.534 1.339 30 10 IDEE CC(C)NC(=O)CN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(C#N)cc1 602268088 OAMRGRWHUKUIIC-UHFFFAOYSA-N 432.484 1.834 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727416937 AFOVJWUSFIAGID-UHFFFAOYSA-N 436.493 1.010 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCN1C1CC1 732648397 ULTHNCWOSZKZKK-CRAIPNDOSA-N 447.517 1.194 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)cn1 735069131 MDHLDIGQGBQSSK-UHFFFAOYSA-N 439.516 1.672 30 10 IDEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 752331967 JXYMKIXRFZMUOS-UHFFFAOYSA-N 425.304 1.179 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H]1CCO[C@@H]1C(=O)O 757479437 LDCGRPNTZLLXRA-IRLDBZIGSA-N 434.448 1.887 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)C1 759019401 OGUUNRHKIWPBIW-INIZCTEOSA-N 442.582 1.753 30 10 IDEE NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nc1 769838206 UCANLUKCVAHOSQ-UHFFFAOYSA-N 441.387 1.073 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 774014899 GPGYOEIKZSOGKT-KRWDZBQOSA-N 439.559 1.515 30 10 IDEE C#CCN(C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 774044832 DIMGONXOXRMPBF-HNNXBMFYSA-N 442.497 1.888 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)/C=C/c4ccccc4C#N)CC3)C2=O)n(C)n1 780561005 KEQKQJPBWJPLSU-LCCNJJIFSA-N 432.528 1.953 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C 782816350 QZJQKBNBYYQNBB-OFQRWUPVSA-N 448.545 1.519 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 786814838 YNKLFGYKGUQLBU-QWHCGFSZSA-N 437.522 1.921 30 10 IDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 787057052 SONXNLOFCTZXBE-AEFFLSMTSA-N 427.461 1.848 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)C1=O 787746595 ARJFYZCXADHIIH-QKKBWIMNSA-N 442.472 1.265 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)n1 789054255 YRBWMCNHRLIGMB-SFHVURJKSA-N 441.532 1.970 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(Br)ccc2Br)CC1 790233368 CEFWUVZDVSFKJI-UHFFFAOYSA-N 446.143 1.667 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(F)cc1Cl 795819214 HWBLQEGWTDWMDS-UHFFFAOYSA-N 433.889 1.502 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cc(Cl)ccc1N1CCOCC1 798408832 COTUCUIAKOEXKW-HNENSFHCSA-N 433.896 1.502 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(C)(C)S(C)(=O)=O 800781342 FMKCDAZKVVPVGD-UHFFFAOYSA-N 440.595 1.684 30 10 IDEE CNC(=O)Cn1c(-c2ccc(S(C)(=O)=O)nc2)csc1=Nc1ccccc1C#N 803179967 CTPDHJJZQTYGLB-UHFFFAOYSA-N 427.511 1.865 30 10 IDEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1131501185 BOXWRNSXAYVIRF-HTAPYJJXSA-N 442.472 1.334 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 1137114995 WJOARUPUTOUSHA-KBPBESRZSA-N 425.917 1.986 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1157533289 ZIKJBVNZQFHICR-FQEVSTJZSA-N 427.482 1.639 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)N[C@H]4CCC[C@H](O)C4)C3)CC2=O)cc1 1177265284 INRHGGQNVJXVJP-BNDYYXHWSA-N 438.528 1.569 30 10 IDEE COC(=O)[C@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@@H]1C(=O)OC 1252509006 WFEIFTQEMJDCAX-OALUTQOASA-N 428.489 1.126 30 10 IDEE CN1C(=O)[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1278866102 NQVFYCOIFFZWJQ-ZWKOTPCHSA-N 431.452 1.467 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1286408304 BTMLWHBJMLMIKA-GJZGRUSLSA-N 433.559 1.465 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286418773 QEQOSZWFVYFVEL-LJQANCHMSA-N 435.528 1.912 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1286454487 YJNVBESCJWSKGB-CQSZACIVSA-N 434.522 1.574 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)cc2)CC1 1286490151 MLGQGUGZBNGQIS-UHFFFAOYSA-N 447.543 1.896 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1286516729 LEENENWXHXUPND-LNKGRISISA-N 437.566 1.219 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286593956 VXCJBDGRBLAHRT-SFHVURJKSA-N 441.598 1.625 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1286768085 PQBJRYHNEMOLIJ-UHFFFAOYSA-N 436.520 1.654 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(F)F)CC1 1286790996 LWCYCWMDYSUTKE-UHFFFAOYSA-N 440.445 1.836 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 1286793415 DPRKEORLXHEOPW-YLJYHZDGSA-N 446.596 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnn(C)c1 1286822532 FMPJHQWYLQHWTH-UHFFFAOYSA-N 432.554 1.110 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1288520737 VTXNXDOACZJCNI-QYZOEREBSA-N 431.585 1.853 30 10 IDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1300292213 WMCGBRPNYXHXQQ-HNNXBMFYSA-N 437.518 1.122 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300504620 PEEUCYMMBRWSMB-CVEARBPZSA-N 436.509 1.658 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCSC2)C1 1301568139 OXTUCJLXQIUPSU-LJQANCHMSA-N 439.607 1.448 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1301577407 JCFCWXQCAIJVIN-UHFFFAOYSA-N 432.506 1.020 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1301588690 IKFIXAPUHWGCJZ-INIZCTEOSA-N 446.595 1.134 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@](COC)(C(=O)OC(C)(C)C)C3)cc2C1=O 1301752058 KUUVKNVTYXBHFK-HSZRJFAPSA-N 444.484 1.668 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1303543856 NOGKTGDQNFRMES-LJQANCHMSA-N 432.550 1.468 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccnc1-n1cccn1 1303802712 BJTAHQWRUSGADP-GJZGRUSLSA-N 443.537 1.256 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1306557788 WSHYLKMBALJKCJ-MXTNKPTQSA-N 436.532 1.996 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 1307823472 PAXZKLJNWVNLIW-GOSISDBHSA-N 430.505 1.932 30 10 IDEE N#C[C@]12CN(Cc3nc(-c4cc(Br)cs4)no3)C[C@H]1CS(=O)(=O)C2 1308129133 YNWKMZLRLBYWLA-LKFCYVNXSA-N 429.321 1.931 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)O2)[C@H]1C 1312627653 WUOUKYIHFVEQMP-QTLDVCJISA-N 426.517 1.931 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccn(C)n1 1314224647 FZXKVHPHOTVZCJ-GOSISDBHSA-N 437.504 1.961 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1314892616 IUHABGVGVHAXKP-GOSISDBHSA-N 449.533 1.015 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1316535854 DXJCCBMWTMSMJB-NRFANRHFSA-N 447.536 1.688 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)CCO1 1316540723 NGTRRHDGNOUVIE-LBPRGKRZSA-N 434.394 1.046 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1355595208 IZRBPPIMLMDBMU-ZOFXXKQRSA-N 430.505 1.497 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358962912 ZATDHUCLMRUCOH-MSOLQXFVSA-N 427.530 1.213 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nc(C3CC3)cs2)CC1 1359029517 ZRNFGNKSJVSVAB-AWEZNQCLSA-N 449.606 1.026 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCOC2)CC1 1359040402 SXPBRIWPIWLTGP-KRWDZBQOSA-N 444.580 1.589 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1359132546 ADYNQDADXBLXQB-SFHVURJKSA-N 448.593 1.890 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359202635 YONZGRDKWXBLFY-YZGWKJHDSA-N 443.596 1.574 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359208288 JKBQGZZOVIKMJU-KSZLIROESA-N 440.614 1.402 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1359299412 DNFVSEXULZIMJK-SFHVURJKSA-N 442.495 1.814 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)s1 1359300719 IVYLKAQBMZGLGY-GFCCVEGCSA-N 443.982 1.834 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1359333367 VPBNTYAGWRCHJT-UHFFFAOYSA-N 443.577 1.671 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 1437438145 ABGCKKYSDOFJCG-UHFFFAOYSA-N 433.530 1.651 30 10 IDEE C#CCN(C(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1442049943 OABNTEBQQGQGPP-CQSZACIVSA-N 427.548 1.359 30 10 IDEE C#Cc1cccc(CNC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1 1451442662 RHSYCJCNSWUBFW-QYZOEREBSA-N 432.542 1.954 30 10 IDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)OCc2ccccc2)C1 1456226966 YQSFLGAFQAMEHS-YYWHXJBOSA-N 431.514 1.432 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)c1 1464379091 GNMMMYLRDPOVIF-UHFFFAOYSA-N 429.564 1.131 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)cc1 1469446359 OWBZMJUJJKRRNL-LJQANCHMSA-N 426.502 1.395 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)C(=O)N(c3ccccc3OCC)C2=O)c1 1472973291 UNKFOFUJSQQWLK-UHFFFAOYSA-N 434.408 1.710 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)c(=O)n1CCO 1473079501 UATUOYQWLIMZCD-UHFFFAOYSA-N 440.500 1.524 30 10 IDEE N#CCC1(O)CN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)C1 1473414389 QKFVXYYFUVDTSC-OQLLNIDSSA-N 434.905 1.453 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1476217865 FBDWODOOAGTBNH-AWEZNQCLSA-N 430.461 1.679 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 1476819165 GWRBDIWUIWKGOU-UHFFFAOYSA-N 446.508 1.117 30 10 IDEE C#CCN(C(=O)NCC1(CS(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1478114508 HSTPOCGKXIINDK-UHFFFAOYSA-N 427.567 1.856 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2sc(C)nc2C)CCOC1 1502728134 GLAPUDGZRBJJQR-OXJNMPFZSA-N 432.550 1.975 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1503398618 BBIRXHKOUKWAKM-CTNGQTDRSA-N 440.548 1.890 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)CC1 1505144917 WYMGRGZDIBDCLQ-UHFFFAOYSA-N 443.577 1.431 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507633089 AUUVOZWJKOMAQI-LQBOVUBWSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1507657693 XEKNYBFFMPVTMK-MRXNPFEDSA-N 445.570 1.167 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOC)CC1 1507734417 MHFIVXUHWIERFC-UHFFFAOYSA-N 426.477 1.856 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507751157 KTWMYLAIEYYZTJ-MRXNPFEDSA-N 427.596 1.010 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1507758623 QWURUXDGNPDCAJ-GHTZIAJQSA-N 430.578 1.473 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507765523 ARKTYJRMVJHYDJ-XMMPIXPASA-N 445.527 1.539 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1507792078 WHJVQDJIAUVSHE-QZTJIDSGSA-N 446.552 1.774 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507965136 BRQJDOFQTGMGRC-UHFFFAOYSA-N 437.548 1.485 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1508088280 ADCGUQLBFYBNOY-ZBFHGGJFSA-N 435.525 1.819 30 10 IDEE CC(C)(C)c1nnc(N2CCC3(CC2)COC(=O)N3)n1CCN/C(O)=C1\N=CC=CC1=O 1508510132 ZVIPOIRXVHVNQF-FOCLMDBBSA-N 443.508 1.181 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cn3ccc4ccccc43)n2CCNS(C)(=O)=O)C1 1510290423 HERSXNXDYQHPGE-NRFANRHFSA-N 441.561 1.960 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1516587846 AXEXIGDIIAYUFI-UHFFFAOYSA-N 449.519 1.166 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1517359726 YNGCTPWWHXJOIH-HSALFYBXSA-N 427.505 1.884 30 10 IDEE CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1519509945 OUPYZKMAALDTAM-SJORKVTESA-N 431.518 1.353 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)Cc1cccc(F)c1 1539013287 IIXYCUVMEUWGRV-WBVHZDCISA-N 447.536 1.136 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1539230179 CGIZTZKSEZFQAE-PGRDOPGGSA-N 444.557 1.275 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc([C@@H](C)O)cc2)CC1 1539462417 GRXSNYIXFMOGHI-COPCDDAFSA-N 439.560 1.859 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCOCC2)CC1 1539462485 VKOWLJBXDDKPFW-UHFFFAOYSA-N 429.496 1.293 30 10 IDEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539990996 VEXKTRMEONGXGA-UHFFFAOYSA-N 435.532 1.956 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1545689299 ACRMUCQWZIEDSC-CRAIPNDOSA-N 439.520 1.073 30 10 IDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1=O 1547624503 DEWHNWXVHUCQIA-INIZCTEOSA-N 431.500 1.714 30 10 IDEE CN(C)S(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1552888964 AHDSJJKMIKZROK-FQEVSTJZSA-N 445.524 1.684 30 10 IDEE COc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1555020232 FYHFTCAQNDBOQE-JXFKEZNVSA-N 433.509 1.873 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-c2nc[nH]n2)cc1 1555557040 NGPXGWSULTXPCQ-UHFFFAOYSA-N 432.492 1.878 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CC1 1555663178 QYWBBZAFEOOXAQ-INIZCTEOSA-N 427.509 1.120 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F 1558214751 BBPYBWXWXJMTOZ-NILFDRSVSA-N 447.435 1.425 30 10 IDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)C1CCCC1 1565003684 YTUDWYRUSRKEFC-HXUWFJFHSA-N 433.578 1.775 30 10 IDEE C#CC[C@@]1(C(=O)NCC2(N3CCOCC3)CCOCC2)CCCN1C(=O)OC(C)(C)C 1584532582 VCQQCZYMLUCOLM-QHCPKHFHSA-N 435.565 1.777 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1587586410 TVTIGBDEZFQJMU-AWEZNQCLSA-N 443.909 1.326 30 10 IDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1587758654 FUYSRGBQADCACQ-DLBZAZTESA-N 426.525 1.855 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1587988863 CUVDHUKUKSOXOU-QGZVFWFLSA-N 449.577 1.817 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1588560611 UIYBRUGDKOZFMT-ZWKOTPCHSA-N 440.479 1.897 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(F)c1)N(C)C 1588637964 LOVAJMXKZKOLCV-RTBURBONSA-N 428.512 1.757 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCc3nccn3C2)CC1 1588750751 FEXIQNSRWWIZJF-RBUKOAKNSA-N 427.553 1.216 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCC(C)CC2)CC1 1588954251 BUONQJYXVRMRPK-UHFFFAOYSA-N 449.603 1.962 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1593769162 LUUGKWQLYUPTJP-PGRDOPGGSA-N 433.553 1.722 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1593884043 AXQDDMQHRMIUKF-YOEHRIQHSA-N 428.946 1.494 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C2CC2)N(C)C)CC1 1594096865 JOPRXBJEKOROKR-QZTJIDSGSA-N 438.598 1.108 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1COCCO1 1594867281 LFAMXKREZCZPFA-INIZCTEOSA-N 434.566 1.974 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1)C1CC1 1595058366 JNHDPSPDJYJPAU-KRWDZBQOSA-N 439.582 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(Nc2cccnn2)CC1 1595797973 KLGBRGYHARRAPD-INIZCTEOSA-N 447.565 1.254 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595877861 BWYUONGNEZKIAL-FUHWJXTLSA-N 434.610 1.838 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@H]12 1596099637 UHKDXGOSLILQJJ-ZOFXXKQRSA-N 426.521 1.935 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@H]2C)c1 1596528089 BBNIZRVOXJFXQE-CQSZACIVSA-N 432.502 1.569 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1619913485 FIAPEMHBQNQHBP-DENIHFKCSA-N 426.521 1.968 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC[C@H]1C 1620111429 URBUGCBYMWKCJN-FYQPLNBISA-N 432.569 1.995 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCOC3)n1CCSCCCO)C2 1620349272 INKRKJNCQHFOFG-CQSZACIVSA-N 430.534 1.433 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1628667331 SGCSUUMRZWJZFG-OAQYLSRUSA-N 443.525 1.509 30 10 IDEE C#CC1(O)CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)CC1 1633560276 XJUYATMVNURXGZ-UHFFFAOYSA-N 438.341 1.693 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@H](CN4CCOCC4)C3)ccc2c1=O 1634428752 ZQAARQVFKCQLJS-MRXNPFEDSA-N 430.530 1.044 30 10 IDEE COCCN(Cc1c(C)nn(C)c1C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1638536283 BZZBCUQTZUTBRP-UHFFFAOYSA-N 433.534 1.141 30 10 IDEE COc1cc(N)c(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1S(C)(=O)=O 1640219584 VRPQZGOJNCPJCX-MRXNPFEDSA-N 428.514 1.903 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 1644958157 KNRNQUYHYHMKLQ-UHFFFAOYSA-N 449.511 1.723 30 10 IDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(NS(N)(=O)=O)CC1 1647983742 QXDGXBKVCFKKAO-GFCCVEGCSA-N 425.580 1.473 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1649206744 FVEFOMZFZPAGHR-HNNXBMFYSA-N 428.514 1.279 30 10 IDEE CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCC[C@H]1C#N 1654477661 IJGTZXOHMTUVIC-YOEHRIQHSA-N 440.953 1.923 30 10 IDEE COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c(OC)c1 1654763074 IFHLJNMRAWZPGV-UHFFFAOYSA-N 444.513 1.203 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)CC1 1655019694 GLNWMVQELYZSQC-BHIFYINESA-N 429.540 1.066 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OCC 1656680137 RXEFJOMNBCMXKB-GFCCVEGCSA-N 431.312 1.976 30 10 IDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1686548880 PKCLCDRHULTZSS-SFHVURJKSA-N 442.545 1.990 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1689867002 OLNYBFTZSCAHDQ-HNNXBMFYSA-N 437.591 1.928 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1689980497 SRCIDSQUIPRXET-PKOBYXMFSA-N 447.561 1.381 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1690110581 RPGYSUJBMAQTSF-DEOSSOPVSA-N 449.559 1.381 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1690170033 XEFFNVFQDMHDGP-UHFFFAOYSA-N 442.593 1.092 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1690328888 PIPFTJSFESZPJM-WFASDCNBSA-N 442.977 1.691 30 10 IDEE C=CCn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653218 IDEFXCGVFAKCNR-GASCZTMLSA-N 434.541 1.706 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690666033 WWDSDFWAYCTEEB-INIZCTEOSA-N 443.939 1.887 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1690669919 SGFYOGMLPVILLJ-QZTJIDSGSA-N 443.596 1.084 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3CCOC[C@H]3C2)cc1 1690678491 YDBBBSZXQAHZTO-LJQANCHMSA-N 440.548 1.550 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NC)CC1 1690742574 UZEBFXAVKLRHMQ-UHFFFAOYSA-N 432.550 1.887 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)CC 1705480980 ZTQDKMFMTHVADA-MLNJSSBLSA-N 436.607 1.773 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705566445 NNBUPLYXGOLPOY-INIZCTEOSA-N 431.566 1.567 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1705568335 LHSFVQKXOLJRNH-INIZCTEOSA-N 437.541 1.310 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccn(CC)c2=O)CC1 1705636621 RFDHQQGZDFHTBT-UHFFFAOYSA-N 432.528 1.939 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(C)(=O)=O)CC1 1705643255 YFMNUPZEEVMKDT-UHFFFAOYSA-N 431.562 1.274 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1705717632 ODJDEPZGWDNYBN-QFBILLFUSA-N 429.587 1.420 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705735351 OBVCQTCHDWTSNL-ZWKOTPCHSA-N 441.598 1.878 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705744437 CUFAJKVSMWBIHR-GOSISDBHSA-N 436.925 1.693 30 10 IDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705821241 PNTVSOCAKQJQGO-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1705830508 RGOLGNRZCCMLKE-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccnn2)CC1 1705902014 CQCLVFZAYHHHLL-UHFFFAOYSA-N 443.515 1.990 30 10 IDEE C[C@H]1CCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1708039929 AMBKOFWDDZWNFT-HRAATJIYSA-N 429.546 1.849 30 10 IDEE CCN1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)C1 1710225779 CQBRLVOAFIFNGO-HBFSDRIKSA-N 431.585 1.520 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2ccncc2)CC1 1722341231 BCNAORBWTIQCJB-UHFFFAOYSA-N 436.564 1.191 30 10 IDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H](C(F)F)N1CCOCC1 1722354923 ZXZYOYQDZSBXNT-GOSISDBHSA-N 443.502 1.942 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1722403380 ZHVPOUZPDGVRAD-QGZVFWFLSA-N 441.561 1.641 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2)N(C)C)CC1 1722442288 YBELWADTTINGRE-OAQYLSRUSA-N 435.576 1.459 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722513466 XCEWVMOOLYBRIJ-GJZGRUSLSA-N 430.475 1.895 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722608248 ZQHZWNVDXCPPRB-IBGZPJMESA-N 439.564 1.731 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722693875 CSDXNCFPNSDYPD-HZPDHXFCSA-N 439.472 1.354 30 10 IDEE CCN(CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)C(C)C 1728511956 FUYABDOVXAFUGP-IRXDYDNUSA-N 441.602 1.080 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728647268 XEAPBDOVCBCHEX-UHFFFAOYSA-N 448.531 1.981 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1729227318 HBWRKOXQMZBRBJ-SFHVURJKSA-N 440.476 1.377 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1OC 1730045853 JCUCOHMXLFZDQT-ZFWWWQNUSA-N 441.492 1.689 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1730292398 OWTBSVLRAVXIHZ-IBGZPJMESA-N 436.513 1.259 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740620815 RRJJVUYZELULSA-HXUWFJFHSA-N 449.540 1.420 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740625660 OUVFFTRXRJOZQA-OALUTQOASA-N 427.530 1.236 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)n1 1740683393 FKGKQBZJZNKYLR-UHFFFAOYSA-N 434.504 1.101 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)COC)CC1 1740817698 PSUJLMMDQUBZFD-YOEHRIQHSA-N 427.933 1.486 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(N(C)C)CCSC2)CC1 1740833421 PHQZYMNJFJWMBE-BEFAXECRSA-N 442.655 1.728 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1740964430 BWTNXSYCKPWKIL-OAQYLSRUSA-N 444.561 1.583 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1741693063 DXVGLLIEJAQDEG-INIZCTEOSA-N 430.534 1.212 30 10 IDEE CCOCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)NC 1747146213 LHKGTPPRVFSMGL-LJQANCHMSA-N 446.577 1.695 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(C)(=O)=O 1748005848 FWFXUJOWVGOOGX-OAHLLOKOSA-N 445.318 1.533 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1748730763 RXCGIIIAVWICPT-UHFFFAOYSA-N 430.538 1.536 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748970546 JDZBIKIMEOXWPP-QZTJIDSGSA-N 440.552 1.716 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](COC)OC)CC1 1748999171 LBVKEAKBSBKCJU-OAQYLSRUSA-N 427.549 1.891 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)OC)CC1 1749019181 NNDUPIXXGHDSKJ-KRWDZBQOSA-N 441.532 1.866 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1749600028 PMGNHSRNBPEWBG-HZPDHXFCSA-N 433.475 1.684 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1749663337 ARPRDEVQHGCACV-UHFFFAOYSA-N 440.596 1.570 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1749668926 GPFAIRYBHRNLQA-IBGZPJMESA-N 442.539 1.936 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749681048 WBHPLPMHGOIWKY-UHFFFAOYSA-N 426.521 1.008 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC(C)C)C1 1749734415 IWBWHVUYAGLHOQ-IRXDYDNUSA-N 444.623 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN(C(C)=O)CC1 1749735878 CHBAMDASIPVNQX-UHFFFAOYSA-N 435.525 1.277 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)NC)CC1 1749738681 UTUGFTJOFNXSBP-UHFFFAOYSA-N 445.589 1.627 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)C1 1750378292 GUULGJALKPIOOR-GPMSIDNRSA-N 441.529 1.208 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC(F)(F)F 1751223886 RVKFXUXAEIJCME-MFKMUULPSA-N 428.412 1.257 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)CC)c1 1760098383 RTYLQUUQUAZWKQ-IRXDYDNUSA-N 432.594 1.846 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760141336 QSDVSXZSUZIELG-UHFFFAOYSA-N 441.580 1.930 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCN1CCOC1=O 1760162616 BWJRUOXTEMVDRP-UHFFFAOYSA-N 430.896 1.773 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1760190224 URRZRMXQSOWFLV-KRWDZBQOSA-N 432.550 1.425 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1760193009 RCTHXNFQNARKJM-HXUWFJFHSA-N 433.434 1.939 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1760490466 XPTZWEPYYAPWST-UHFFFAOYSA-N 425.537 1.875 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760526817 UMLIZXNCUJVVPI-ROUUACIJSA-N 437.548 1.950 30 10 IDEE Cc1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1762142520 BAPWZZLQFAPAMI-HNAYVOBHSA-N 436.513 1.718 30 10 IDEE C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)[C@@H]1C 1762987746 GMJYJASPXPLRGG-CPUCHLNUSA-N 434.522 1.359 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1771221819 BYGSHWMQVLOQFL-AEFFLSMTSA-N 434.541 1.522 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 1848697757 VGKFXKKCRAIRBU-UHFFFAOYSA-N 436.896 1.978 30 10 IDEE COc1cccc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)c1 1851567178 AUDKLLGSGCLICA-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE CN1C=N[C@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CS(=O)(=O)c2ccc(F)cc2)C1 1851918330 UEJYAAWUGWEJFE-ICSRJNTNSA-N 445.472 1.804 30 10 IDEE CCOc1ccc(-n2nnnc2COCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1852483487 NVSIUIOPXPUPFZ-UHFFFAOYSA-N 434.504 1.666 30 10 IDEE CN1CCC(N2C[C@H](C(=O)Nc3c(C#N)cnn3-c3ccc(Cl)cn3)CC2=O)CC1 1852768770 DFZRQNMXKLZKIZ-CYBMUJFWSA-N 427.896 1.674 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CCn1cncn1 1854554207 INDDXOAHQDNTEK-UHFFFAOYSA-N 429.502 1.537 30 10 IDEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 1858111653 UPXJTFRUPOJKMF-HNNXBMFYSA-N 430.486 1.514 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12)[C@H]1CCS(=O)(=O)C1 1858243039 NABLCAPJTAXOGB-HNNXBMFYSA-N 437.481 1.717 30 10 IDEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc2[nH]ncc2c1)N1C(=O)c2ccccc2C1=O 1870142729 KFNASBSYAUFVND-LLVKDONJSA-N 426.396 1.638 30 10 IDEE C=CCNC1=C(c2cccc(OC)c2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873048307 NWIQDSUORCHZMG-UHFFFAOYSA-N 427.482 1.398 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)CC1=O 1874273884 LXEVHPRJGJUWJF-UKWOGYLFSA-N 432.506 1.263 30 10 IDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)c1 1891738936 YTHOHKDRPDKCFU-KRWDZBQOSA-N 432.546 1.775 30 10 IDEE C=CC1(NC(=O)[C@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993277642 KWUSIMDHWDGCTQ-LSDHHAIUSA-N 425.526 1.896 30 10 IDEE C=CCC1(NC(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2022808099 WBFWJUHDVCXFBD-SOUVJXGZSA-N 441.525 1.009 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624766 BYNOBCYXSCPSAJ-UHFFFAOYSA-N 433.314 1.565 30 10 IDEE O=C(CCOCCOCCNC(=O)O[C@H]1CCC=CCCC1)ON1C(=O)CCC1=O 2080345210 OZJPTSMKWMJDKL-INIZCTEOSA-N 426.466 1.632 30 10 IDEE C#CCN(CC(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2212237244 AAFAMAIOXGGPMR-NRFANRHFSA-N 425.526 1.735 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248402435 WZIUBWBRVJKTIL-SWLSCSKDSA-N 440.371 1.938 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)[nH]n2)OC1(C)C 2255626902 LSYUFFAWHBQDEQ-UHFFFAOYSA-N 430.236 1.240 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255654185 SVDWRMCSNBXXAQ-ZIAGYGMSSA-N 434.346 1.610 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCO1 2255695488 FVCCWVJMOYKGAV-ZDUSSCGKSA-N 434.302 1.447 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)n1 2255823735 YBFASWVFYZCZFN-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2256062159 QVZZWLBVJPEPMO-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 2267264282 PPIFQCDPAGUYRL-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267522721 VYTSDXDZABFYBD-YPMHNXCESA-N 444.263 1.248 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2269050629 QVJIVDYCUWRJFC-QFIPXVFZSA-N 440.309 1.168 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269085489 GJUQZSPOCYGZSN-PBHICJAKSA-N 443.309 1.508 30 10 IDEE N#Cc1ccc(Cl)nc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270535557 LVELQVHURWGYPU-CYBMUJFWSA-N 438.849 1.728 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(C)c1ccc(C#N)cc1)NC(=O)OCc1ccccc1 2286021061 MCGQYQMLDQLMCV-SFHVURJKSA-N 431.470 1.792 30 10 IDEE COc1[nH]c(=N[C@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786631 OJYSQWWUHQJVKR-HOTGVXAUSA-N 449.357 1.905 30 10 IDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OC)n2N)c1 20527442 YASJPSYHJQYXFU-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE CC(C)Cc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443850 HUWISPBPNKTCEC-QZTJIDSGSA-N 448.527 1.894 30 10 IDEE CNC(=O)c1ccccc1C#CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 96348665 MJOCGRRBTXFFNK-UHFFFAOYSA-N 425.510 1.612 30 10 IDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)C2)c1=O 101455992 HWFYJZREGDGCQX-CQSZACIVSA-N 433.262 1.888 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccnc1 102758289 QSDZZFZZKMVZKL-GOBJLOIFSA-N 439.516 1.576 30 10 IDEE COc1ccc(CCN2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254677474 JQUCSJTXJNTFBZ-HOTGVXAUSA-N 440.543 1.590 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 460883555 VSSSFDPHKHLBIW-OAHLLOKOSA-N 445.545 1.645 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC(=O)N2C)cc1 472270687 AVBKLMBRSCDCAD-NQIIRXRSSA-N 436.516 1.477 30 10 IDEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)cc2F)c1 476510801 JPBLNNNOBOPSPH-INIZCTEOSA-N 425.420 1.484 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CC1 487404683 IABVTFYEEFQKOQ-UHFFFAOYSA-N 431.493 1.182 30 10 IDEE Cc1ncc(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2Cl)cc1C#N 489876384 UIMCVOABTMFKRF-UHFFFAOYSA-N 428.923 1.562 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 508917482 JKXAJZNCPYBFJZ-FQEVSTJZSA-N 440.548 1.875 30 10 IDEE COc1ccnc(N2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)n1 511975074 VDUWDGWVCRVTRS-UHFFFAOYSA-N 437.504 1.974 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 516998101 RBJMKGBVZOXYFS-IBGZPJMESA-N 429.496 1.973 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(NC(=O)CC4CCCC4)CC3)CC2)o1 533282249 DNVZOPBVCXXRCW-UHFFFAOYSA-N 442.564 1.664 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(c2ccccc2)C1 548951602 XLJXINPKRPUFJN-RXVVDRJESA-N 447.561 1.549 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccccc3)c2=O)cc1F 583792043 BZHLTARBJLTIPV-UHFFFAOYSA-N 437.496 1.745 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 603798532 MSPLIFAKASXEEX-INIZCTEOSA-N 442.497 1.025 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668825 RUIQHHILYCJIIU-UHFFFAOYSA-N 441.516 1.672 30 10 IDEE COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730139010 PGGKTPQCYDKLEF-MAUKXSAKSA-N 431.562 1.840 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730140529 LXWCIUNOOZETBV-SFHVURJKSA-N 433.578 1.439 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2nnnn2-c2ccccc2)C1=O 730443335 NCVUZIXNLOEZQN-QGZVFWFLSA-N 446.496 1.802 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cn1 730721145 AFSVMKKGCIWJQI-HNNXBMFYSA-N 432.506 1.278 30 10 IDEE CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732468175 FKOFZICATULVLY-PNBGARPFSA-N 426.521 1.604 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCC(=O)OC)c2=O)cn1 735069325 RXDVIYUUOJZRRI-UHFFFAOYSA-N 442.541 1.342 30 10 IDEE N#Cc1cccc(CNC(=O)COC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 749288256 DNJBKHKKWOKVCI-MRXNPFEDSA-N 433.511 1.632 30 10 IDEE COc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC)c1 756780629 QEBXXRIRRJVABQ-KRWDZBQOSA-N 438.488 1.086 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)c2ccccc2)CC1 762331060 HUKYPZOJRVSCAU-UHFFFAOYSA-N 440.525 1.536 30 10 IDEE COC(=O)[C@]1(NC(=O)CNC(=O)c2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 771396868 IYTJJIRVDMGZAW-DEOSSOPVSA-N 434.496 1.612 30 10 IDEE Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(S(=O)(=O)NCC(=O)O)cc3)ccc21 773125156 MMICXLQNPNJZIV-OQFOIZHKSA-N 432.479 1.859 30 10 IDEE CCN=c1nc(NCC)n2c(SCC(=O)NCc3cc(F)c(C#N)c(F)c3)n[nH]c2n1 773355836 WWLQHHQVJRSDPM-UHFFFAOYSA-N 447.475 1.363 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 779399806 KKYBRZSCWDBSQW-NRSPTQNISA-N 431.558 1.805 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 781647945 BCJLWWARGDSMKD-UHFFFAOYSA-N 431.521 1.939 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)n1 788624341 MWEYUBPACQHCOM-UHFFFAOYSA-N 435.506 1.577 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 789889235 JXLKZGZJMCINJS-QHCPKHFHSA-N 448.483 1.078 30 10 IDEE C=CC[C@]1(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 790581732 NGJZBVXPKBYSDX-FOIQADDNSA-N 443.566 1.094 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 804452131 CZGQSGNKUIUPLO-NCYKPQTJSA-N 430.570 1.847 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 813561981 BJMVYOOPMMEBNC-SMDDNHRTSA-N 430.465 1.711 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc4c(c3)sc(=O)n4C)cc2)CC1 814834006 NYUFXEXFLMNIDO-UHFFFAOYSA-N 445.570 1.982 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1CCN1CCOCC1 916201182 GYUSVYRTHFGFLV-UHFFFAOYSA-N 435.336 1.575 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)cc1 916805989 CTFXWFAQWNMXBH-UHFFFAOYSA-N 447.538 1.605 30 10 IDEE CC[C@@H](C#N)N(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1130231876 DTWIEHIZMSYXEU-SFHVURJKSA-N 434.562 1.677 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1132192466 HWWRCARJNDZHDQ-INIZCTEOSA-N 430.910 1.512 30 10 IDEE Cc1csc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1I 1134649800 MJQBKYHNCNVUGJ-TVQRCGJNSA-N 436.296 1.672 30 10 IDEE CCN(CC)C(=O)CN1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1136027075 SMRABEGPFNTUDW-SFHVURJKSA-N 437.585 1.976 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)c1 1141940352 XTOGOXIVTCCNCB-UHFFFAOYSA-N 442.419 1.977 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1153313516 MMSBKBGYLRHYFB-INIZCTEOSA-N 426.535 1.548 30 10 IDEE CN(C)C(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1158868379 RAYCDBSIRZFIIE-QGZVFWFLSA-N 426.477 1.025 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C1CCCC1 1161440309 GFMDIWUMAMIMBC-PMACEKPBSA-N 433.578 1.598 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)nn1 1230271482 GJQUFTYUAOMBPN-HNNXBMFYSA-N 435.529 1.027 30 10 IDEE C#C[C@@H](NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1CCCO1 1234625675 HIUBVBUSYZMGFR-FGZHOGPDSA-N 426.561 1.838 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286410524 BJGVNTVRSLCIKD-NRFANRHFSA-N 433.560 1.279 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286549582 YBXYBBYUVCVEEH-AOIWGVFYSA-N 443.556 1.108 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)[C@H](C)CC)CC1 1286645320 BEBKVBIZXQGBKS-MSOLQXFVSA-N 440.614 1.498 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286656667 PMWHTDZNOPFXIZ-WMZHIEFXSA-N 447.580 1.828 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC)C1CC1 1286736522 GDVJCQDBDORRHK-MSOLQXFVSA-N 438.598 1.250 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286788106 QHDOCAPMZOIWRZ-RTBURBONSA-N 432.569 1.023 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)C1 1286810658 UNFPKQCMELLNRN-UONOGXRCSA-N 442.492 1.601 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286824622 YZWILOHAWPSPNF-HNNXBMFYSA-N 429.612 1.739 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N2CCCC2)nc1 1286959376 GDGNZQBEJKVSBI-HOTGVXAUSA-N 446.581 1.528 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1286970917 YKBJSOSRDXPDQA-OWCLPIDISA-N 440.570 1.022 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290889209 XRKCRJHZJLOESK-DCDYOYONSA-N 433.472 1.563 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1OC 1296764307 RXRGIKWMYGQZKT-AOMKIAJQSA-N 440.504 1.559 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1300309054 RZTGUFXCBQZGCM-LSDHHAIUSA-N 435.516 1.912 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCCCC2)CC1 1300682620 PPKKFDVXBJAAIW-UHFFFAOYSA-N 429.613 1.828 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C2CC2)CC1 1300683477 OIRZFDIADMMOOC-QGZVFWFLSA-N 440.523 1.839 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccnc(SC)c2)CC1 1300685439 NUFXXGFINIYZDP-JOCHJYFZSA-N 442.589 1.851 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1300806215 RNFUPQQSFCZCNV-AHRSYUTCSA-N 437.566 1.172 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1300850038 VORXDFLOHDOVHG-NUEKZKHPSA-N 426.359 1.848 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1301346712 JCRYLFTYWIITAI-DYESRHJHSA-N 449.577 1.886 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301511774 FDINAZWYHPRZDG-BSBNDGSWSA-N 439.520 1.673 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(=O)NCC)CCC2)C1 1301536611 YAKADZUAJLRARC-QGZVFWFLSA-N 430.553 1.602 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301589846 YNLPPZKULQPKBW-SQGPQFPESA-N 440.566 1.157 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN1C1CCOCC1 1304061066 UXKRDZJAZSIDKQ-MJGOQNOKSA-N 448.589 1.509 30 10 IDEE CC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1306327001 YZWPHHWZLBVDCE-IGGDJGDASA-N 441.536 1.667 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1315072065 LGTVVHUJAGIAAP-DZFIZOCASA-N 430.534 1.513 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315694541 GIJRPGQCHBXXBK-MEUCICPISA-N 425.493 1.425 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1316499277 QUEYDPSTBSXGCH-YOEHRIQHSA-N 434.522 1.503 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1358873782 OBWNZDPVURNAII-KZYMUQIBSA-N 442.520 1.303 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961414 YTFAHIFFKQKPGL-MOPGFXCFSA-N 446.621 1.887 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1358968654 UFRYNURLHHFJDS-QFIPXVFZSA-N 448.571 1.871 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccnc1N1CCOCC1 1358980757 IQUVKDKJUOYMRN-UHFFFAOYSA-N 427.512 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1358983905 AEGTYYNUVZPBNY-UHFFFAOYSA-N 437.504 1.913 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1359027727 UJRZFYGVKFJIQW-VGSWGCGISA-N 439.520 1.296 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359060207 NSZRYIAFLPDHDT-OAHLLOKOSA-N 444.527 1.840 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359301777 KRGCBXLATYSYKN-QGZVFWFLSA-N 428.512 1.615 30 10 IDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1461967583 QLJMNKZJKHPWMC-LJQANCHMSA-N 429.498 1.527 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 1469321277 NJTGTSBDYALSGA-HNNXBMFYSA-N 426.498 1.619 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@H]2C)c1 1471931924 SSOWNBSCOFQOCK-OAHLLOKOSA-N 429.498 1.901 30 10 IDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1478935986 JHQQYHQZQQYJSB-UHFFFAOYSA-N 447.604 1.860 30 10 IDEE COC[C@H](F)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1504607728 IXCKZNBAHNEYFB-BLIXFSHQSA-N 436.532 1.480 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1504651818 ORBKUZYROBYIBD-JOCHJYFZSA-N 425.489 1.663 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1504758198 SMDFCQUZIZNNPU-WWMYMODYSA-N 427.461 1.718 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1507688124 XGWRRABMRTWKLS-LJQANCHMSA-N 428.581 1.971 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)OC(C)(C)C)CC1 1507724187 JQOBSLBQMNORFQ-UHFFFAOYSA-N 425.537 1.544 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507750915 HLJHJWYWNFLGHA-HOTGVXAUSA-N 444.565 1.070 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507844532 LFIHZCXWZBPETB-GOSISDBHSA-N 447.561 1.508 30 10 IDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCS(C)(=O)=O)CC1 1507885094 ROAYNNYWYCOVTC-UHFFFAOYSA-N 431.566 1.653 30 10 IDEE C=CCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508066451 QWJLHGORQNFDFE-HXUWFJFHSA-N 441.598 1.755 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@H](C)C2)CC1 1508278288 HUCBWHGFQLRKAX-QGZVFWFLSA-N 439.589 1.923 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516869252 YWZSNQHJAYNEHQ-WTPASJBYSA-N 443.533 1.798 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1519447252 CMIITOKNOQYCOU-OTWHNJEPSA-N 432.569 1.853 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3cn(C)nc3I)CC2)c1C#N 1527592755 TYIGJHACPJUJSH-UHFFFAOYSA-N 442.286 1.624 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1539026708 YUZJIYRYXZODBS-GCJKJVERSA-N 443.621 1.806 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1N1CCOCC1 1539257779 NWAFLONXLSICMF-UHFFFAOYSA-N 431.475 1.832 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1539343745 PYYAUBUJPYPOQC-ZDUSSCGKSA-N 449.968 1.936 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C(C)C 1539399129 CXPFWRRWIHREHE-NRFANRHFSA-N 434.562 1.842 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1539616890 SJVWAQUZFBQDKE-AVGNSLFASA-N 425.477 1.868 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@H](C#N)C1 1540862763 IRGSSQGHQBVDDE-QFBILLFUSA-N 440.504 1.848 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NCC)CC1 1540868208 WFJIJSRMLYTOJP-UHFFFAOYSA-N 431.928 1.752 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1540872876 DHZZXZPVOTUNEV-GOSISDBHSA-N 425.537 1.451 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1540901704 MJKWIPJMEOFUOG-KRWDZBQOSA-N 436.582 1.339 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cncn2)C1 1540902619 NBGNNHKLJSJGMQ-SJORKVTESA-N 435.554 1.206 30 10 IDEE CC(C)OC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541742202 FOCSODNWPQVEPK-BSBNDGSWSA-N 444.536 1.702 30 10 IDEE COCCCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)N(C)C 1548375381 KAPMALVNICOUNS-KRWDZBQOSA-N 441.454 1.902 30 10 IDEE CC(=O)NCC(=O)N1C[C@@H](CO)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548402910 ZRUCFQLUTHJVEU-INIZCTEOSA-N 438.450 1.750 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1554296873 FFSWFPDIKMWDMS-UHFFFAOYSA-N 432.410 1.828 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 1561182657 FAKPPZFBCXYZFE-QGZVFWFLSA-N 435.546 1.710 30 10 IDEE COc1ncc(NC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1C#N 1563260343 HNZOPVQWYWPCJE-UHFFFAOYSA-N 437.428 1.778 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)n1 1587561922 JATYZKNJYGSGQU-MSOLQXFVSA-N 428.537 1.740 30 10 IDEE C#CCCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1587894020 MMWVCFBJWOFSOO-SIKLNZKXSA-N 428.537 1.754 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)cc2SCCC(=O)OC)C1=O 1587896892 BWZTWGKFGYXTQW-UHFFFAOYSA-N 439.877 1.911 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1587979134 IUAJNIYJWDXFHT-CQSZACIVSA-N 426.502 1.488 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588034090 AZABNDLYEFBWED-GOSISDBHSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 1588034322 DDUQKRZDWQYYDQ-FQEVSTJZSA-N 429.546 1.098 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588053255 BTDYNDZVWVPRJZ-ROUUACIJSA-N 445.520 1.238 30 10 IDEE C#CCN(c1nnc(CC)n1CCn1c(O)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588058993 HBTRWIKQSVEPCD-OAHLLOKOSA-N 428.518 1.223 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1589134802 PVBXQNHZQWERFU-TWOQFEAHSA-N 435.550 1.399 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1589198725 ZZGQZNVUMFZPSV-XMMPIXPASA-N 447.543 1.956 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1593696333 NOEBLLPLXCHTQD-RDJZCZTQSA-N 437.570 1.556 30 10 IDEE C=CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594634365 KHUDPJJUJTUNIS-GOSISDBHSA-N 426.496 1.511 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 1595522739 JJQKYPDARLSYQI-UHFFFAOYSA-N 440.548 1.557 30 10 IDEE COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC#N)CCC(=O)OC)c1Cl 1595584495 MSSCLVBKUANAOG-UHFFFAOYSA-N 437.301 1.942 30 10 IDEE CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1603597081 SXYNFLSLSDTYOH-MRXNPFEDSA-N 432.550 1.994 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1611766806 BTAGUUHNKOYKPB-LSJPXJTBSA-N 425.493 1.438 30 10 IDEE Cc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612596178 OJPYNTXPAAAGAK-ZCXUNETKSA-N 431.497 1.028 30 10 IDEE C[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1625326654 DDGUGVFDQMLQDL-INIZCTEOSA-N 442.520 1.070 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl 1628681571 XVEVAIXZRAHHFP-ZDUSSCGKSA-N 429.926 1.595 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2)CC1 1630034716 IMDVMQREYWHYNT-UHFFFAOYSA-N 431.493 1.364 30 10 IDEE N#Cc1cccc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1Br 1632443544 BZXAHRVQQZDORV-NSHDSACASA-N 429.317 1.947 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1nn(C)cc1OC 1635858489 XFADMCLKNKQPOX-HIFRSBDPSA-N 433.534 1.903 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)C1 1638398011 QGNOFIJVEMYFRH-HBFSDRIKSA-N 429.565 1.975 30 10 IDEE C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1639973447 AMBOGBSSVSAQBR-SNRMKQJTSA-N 444.532 1.639 30 10 IDEE Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1640192769 RLRUXBMXALKMLM-KOMQPUFPSA-N 436.534 1.830 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 1640846015 XRNAIKOPUTYHOW-CVEARBPZSA-N 425.510 1.694 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C(=O)OC)O[C@H](C)C1 1641427280 CCRVDZHNVRFEFP-BMFZPTHFSA-N 437.518 1.073 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)s1 1642220605 CHVMMTVBUIFXND-ZDUSSCGKSA-N 433.577 1.000 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1642454153 FPFAIMYXTPACMR-IRXDYDNUSA-N 444.598 1.364 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 1645159285 SBFLFHGYDPKHJS-HXUWFJFHSA-N 427.526 1.095 30 10 IDEE C=CCc1ccc(OCC(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)c(OC)c1 1645741268 ROYYYTIJTJYXKJ-UHFFFAOYSA-N 427.379 1.944 30 10 IDEE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1648001643 AGSUEOLCIHEFTP-QNOZYLDQSA-N 431.537 1.973 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@](C)(CO)Cc3ccc(Cl)cc3)CC2)o1 1654939621 FELXLRDKDVVIJR-OAQYLSRUSA-N 431.924 1.740 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CC2)CC(=O)C=CO3)CC1 1654945190 WNDAIQVLZBXDCI-NRFANRHFSA-N 426.492 1.872 30 10 IDEE CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1655683366 AGOHIYNOEFMCFA-VBHSOAQHSA-N 425.532 1.430 30 10 IDEE COc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)cc1O 1674173419 NNUHCHKRFNDLSS-MEDUHNTESA-N 444.307 1.243 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1684809952 AXYSCNCWTMWOGJ-QHCPKHFHSA-N 434.544 1.994 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(S(=O)(=O)NC)c1 1689972116 FGEYNCBYPYTQMK-UHFFFAOYSA-N 427.534 1.166 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1689989937 JZADOVDSUBBYAW-OWCLPIDISA-N 442.632 1.257 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689993493 FMAKBVQLBUSVOK-AEFFLSMTSA-N 434.587 1.984 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC(C)(C)C1 1690031504 MZLHWWCEEBSTFL-UHFFFAOYSA-N 428.581 1.770 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H]2COCCO2)CC1 1690148791 VGMPBYFXEGBWIR-HXUWFJFHSA-N 438.532 1.035 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690150870 YOADLCLDYWOTKF-IBGZPJMESA-N 426.565 1.455 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1690464444 BRTKMPHGCYAJEV-YLJYHZDGSA-N 441.598 1.973 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690484724 BWBVDKBEESMLLJ-SQNIBIBYSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690662989 IOPPJHZWXWOTDD-QGZVFWFLSA-N 442.520 1.971 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1690714373 LGZZJTIPWCUSGO-MRXNPFEDSA-N 449.581 1.264 30 10 IDEE CCOCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1696401201 JCRHQRJEJBZIPC-QGZVFWFLSA-N 440.570 1.168 30 10 IDEE COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1697092288 GUEZJENZJNSEPK-BEFAXECRSA-N 440.570 1.166 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698485662 ALJAIKIJIFEZLQ-XDSRXIPYSA-N 436.451 1.232 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCCCN2CCOCC2)CCO1 1698493529 SSXQAGPQHJDELI-OAQYLSRUSA-N 440.548 1.741 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2n[nH]c(C)n2)c1 1705506853 KLORRFQDJKWFAI-QGZVFWFLSA-N 434.504 1.507 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705522842 GKAIYYHCCYZTRO-WMZOPIPTSA-N 440.935 1.990 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705525883 YAIFBOLLEYHXOR-INIZCTEOSA-N 449.353 1.801 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1705563865 HDSCLLFMQSCXIA-AWEZNQCLSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705564834 CZDFTHIZTCKEJX-MSOLQXFVSA-N 427.530 1.620 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1705569582 IIICPIGRZYAZFR-MRXNPFEDSA-N 435.575 1.083 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1705581587 GEYYKQVMADFHDX-FDDCHVKYSA-N 443.548 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705600556 CQSOJOBUJGQAHT-WMZHIEFXSA-N 425.533 1.592 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1705698306 RYLYCHMXXQGELH-VQHPVUNQSA-N 441.598 1.731 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccccc1 1705841493 CZJPUSSJSYGWBH-UHFFFAOYSA-N 444.517 1.607 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](CN(C)CCC)C1 1705901887 ZEZZDWHRWVGPHB-INIZCTEOSA-N 443.552 1.476 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1705992995 WCNYMLUHAYMSGG-ITZAQCPESA-N 427.509 1.129 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1706074449 ZKVDTVOUDBFNOM-OAHLLOKOSA-N 429.550 1.972 30 10 IDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1706239901 OHFCWBKKGBFXQN-UHFFFAOYSA-N 427.509 1.908 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H](C)O1 1708234656 RIDAJABWBWQYSC-ZIAGYGMSSA-N 434.447 1.724 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1709900556 CAPSBNBWQZRDRI-OAQYLSRUSA-N 442.545 1.310 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1712886815 HNLACPPSYNLRAI-UHFFFAOYSA-N 439.545 1.982 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722332209 GITVNYNNHPQYQL-IBGZPJMESA-N 445.545 1.676 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)Cc1ccccc1 1722393978 LLZUPLGTSWCTFL-UHFFFAOYSA-N 434.525 1.813 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722402263 KAKYHUPIUFZZEL-ZIAGYGMSSA-N 428.559 1.261 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722538517 YJNQGJONADGFRO-DLBZAZTESA-N 427.571 1.630 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722598836 PJKHMJNLTUUVRO-UHFFFAOYSA-N 434.504 1.938 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1722606878 JKWJRAJXECVYEO-MRXNPFEDSA-N 446.577 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722696679 CBVQXJUMWLQQMZ-QGZVFWFLSA-N 425.537 1.644 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1722702842 SCRWTBCROIQEEH-QGZVFWFLSA-N 426.521 1.478 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCCO2)cs1 1725410450 GMWLIIAETUNPFR-MSOLQXFVSA-N 432.550 1.948 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1726771587 HNZQXKLMXHABFN-ULBJJONDSA-N 432.550 1.986 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)[C@H](C)CC 1729068797 CEGHSXVSWDOGAR-MSOLQXFVSA-N 441.584 1.922 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCS(C)(=O)=O)c1 1740562152 HBPIRSPIKWVAJT-UHFFFAOYSA-N 438.513 1.441 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(CC)S(C)(=O)=O 1740666460 QMKQJFAYCDBJFZ-UHFFFAOYSA-N 433.534 1.805 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCS(=O)(=O)C1 1740687630 DKPWCMCTSXQWFD-SFHVURJKSA-N 441.557 1.802 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(Cc3ccccc3)c2)CC1 1740688803 JYZDCCXPDMBMON-UHFFFAOYSA-N 446.559 1.465 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCc2cnn(C)n2)CC1 1740693354 ZBBRDKSTPRNPHT-UHFFFAOYSA-N 425.928 1.510 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1740963760 WKHDAQOTBRKENJ-LJQANCHMSA-N 426.569 1.507 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCc2ccco2)CCOC1 1741124458 FJXGNNAYVDKXHV-HRAATJIYSA-N 430.509 1.824 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)C(F)(F)F 1741924251 UWUVTILBZQXZBD-YGRLFVJLSA-N 426.440 1.919 30 10 IDEE CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1745751567 BUKJQLVOVASLIY-JKSUJKDBSA-N 448.531 1.939 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CC1 1746464486 MEPAIQAECRMMJP-IBGZPJMESA-N 442.612 1.777 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)C1 1748052613 MUDSKLSJNMQGHJ-IBGZPJMESA-N 448.369 1.853 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1748684382 IGFOFXIFZGVGNE-CQSZACIVSA-N 435.575 1.552 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1748698993 KQSGDHMBDJXBGM-HNNXBMFYSA-N 427.571 1.527 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1748790525 IPQRNEGLEVBOFX-OAHLLOKOSA-N 425.555 1.507 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1749118345 FRCVQIIOWDTEQB-NUJGCVRESA-N 439.520 1.574 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749261863 BJWVTVIVIBZQSN-KDOFPFPSSA-N 432.960 1.420 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1749458263 XPAPLROFKVWAPA-XWTMOSNGSA-N 439.582 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=C(COC)CC1 1749655016 AOLNOXAHRMRGNU-UHFFFAOYSA-N 445.545 1.434 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(C)(=O)=O)C1 1749692781 ALTCBWBYRUIXRT-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1750008493 OOCCHKXLAFVFLK-CEXWTWQISA-N 436.557 1.088 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1751273062 NFCQGPFAEYRNIV-OYHNWAKOSA-N 436.520 1.970 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1760190533 RRWJZDOYDJWKFF-KRWDZBQOSA-N 444.948 1.896 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cccnn2)CC1 1760524991 PXYZZTYAMUHSQO-UHFFFAOYSA-N 432.532 1.596 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1760709627 XPKWKUCKIWMVKS-UHFFFAOYSA-N 448.535 1.588 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1770158710 COTOQNMWSZLIFI-IBGZPJMESA-N 426.521 1.784 30 10 IDEE CS(=O)(=O)Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1770326272 FNGNDJQWJCAQFF-LJQANCHMSA-N 438.513 1.662 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@@H]1O 1770627856 SSVSVULAEYFDNR-WVBUVRCRSA-N 427.505 1.741 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1770643292 GWDFXYDKRSXGBC-IPWSYGNPSA-N 425.468 1.585 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1770754563 YCDYATMFDNDOGU-OSCRUYLVSA-N 425.493 1.438 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@@H]4[C@@H](COCC(=O)N4C)C3)n[nH]2)c1C 1849760839 GZUHBRRKPQYNDQ-VQIMIIECSA-N 426.521 1.785 30 10 IDEE O=C(NCC#CCN1CCOCC1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 1850335326 YUZXPYQSBNZTFH-UHFFFAOYSA-N 431.489 1.692 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CCS(=O)(=O)c2ccc(F)cc2)CC1 1852147622 YOBJNFGLLDMUMZ-UHFFFAOYSA-N 446.504 1.622 30 10 IDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1I 1852755910 UUVCDPVPWZTHGC-CYBMUJFWSA-N 433.271 1.915 30 10 IDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN(C[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1855043375 CQKDGPQDJIOVOJ-XLIONFOSSA-N 429.542 1.694 30 10 IDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857025892 CFAAITYTNGOLEU-ZBFHGGJFSA-N 437.493 1.533 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cc(F)c(F)cc3F)C2)CC1 1857033307 CBCVTGBKMBRAKH-GFCCVEGCSA-N 429.420 1.658 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2c(F)cccc2F)cc1 1859013566 CASSIQYNNBKPBP-UHFFFAOYSA-N 436.436 1.914 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870499536 OQPOYTORROYRIS-UHFFFAOYSA-N 425.489 1.144 30 10 IDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551297 NENCWNFUJRSTKT-UHFFFAOYSA-N 432.326 1.521 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 1890195301 BFFCNNYZNBPPMD-UHFFFAOYSA-N 432.496 1.996 30 10 IDEE COc1cc(S(N)(=O)=O)cc(C(=O)NCC#CCN(C)Cc2ccccc2)c1OC 1890847831 CHBULEGIGNUCGI-UHFFFAOYSA-N 431.514 1.216 30 10 IDEE C=CC[C@H](N)C(=O)Nc1c(I)ncnc1I 1983727604 WKDZASZHZYRMEK-YFKPBYRVSA-N 444.014 1.528 30 10 IDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)C1 1985959284 OPEABASZSXJCOI-UHFFFAOYSA-N 425.526 1.946 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248444507 ZHOCMRDAZCPXHV-CYBMUJFWSA-N 440.371 1.797 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)n1 2255653337 HQFVKYWQWSGKLK-CABCVRRESA-N 432.330 1.553 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)n1 2255655728 QESRELYHMNSQEA-NRFANRHFSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255694788 TZLBZZUSPHCLCA-UHFFFAOYSA-N 432.326 1.697 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2255830662 JDSHWXSZJGJXRD-OKILXGFUSA-N 434.346 1.988 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255875852 FTCYUXOZGDELAQ-OLZOCXBDSA-N 435.334 1.100 30 10 IDEE Cc1nn(C)c(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2267148170 ZNTQGZGXLNPRFC-ROUUACIJSA-N 436.365 1.888 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264311 PXBIWGBQTVHACG-AEFFLSMTSA-N 439.369 1.755 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267507458 OMJPQFVERZJCHJ-NUEKZKHPSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267574641 YMSWINSFSPFMOL-ZFWWWQNUSA-N 448.329 1.045 30 10 IDEE CN([C@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270539582 RZJRUGJXENLGHJ-QWHCGFSZSA-N 437.396 1.472 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)n1 2270592634 TUCNSBLBGOIOHO-UHFFFAOYSA-N 444.263 1.485 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CCC[C@@H]2C2OCCO2)OC1(C)C 2282493333 VVNZMRJHRYTJJZ-OAHLLOKOSA-N 427.303 1.651 30 10 IDEE Cc1ccc(O)c(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 2327829892 XMKQVVFZMIDDCB-CQSZACIVSA-N 430.534 1.866 30 10 IDEE C=C(CO)[C@@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@]2(O)C3=O)O1 14954353 MYQAATJJIDGOMQ-ITSWEJNFSA-N 426.421 1.780 30 10 IDEE biogenic COc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444404 XBQDAWOHAFQSHO-HOTGVXAUSA-N 437.456 1.346 30 10 IDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 102742402 SCQJULVQQSIOJD-HQMFNGAOSA-N 428.464 1.920 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 105278693 QJIQWNHFUCYAPJ-QGZVFWFLSA-N 433.468 1.426 30 10 IDEE CCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1 299814334 DIQMOLNTZYUDBX-XWPNQZOQSA-N 425.526 1.714 30 10 IDEE C[C@@H](C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)n1cnc(C#N)n1 409486558 RAFZUBZOMCDFML-AWEZNQCLSA-N 442.476 1.645 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2-c2ccnn2C)c(=O)n1C1CC1 430978877 RNLUJEDWWCAPLN-UHFFFAOYSA-N 433.537 1.673 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cn1 461291165 RJJUVWDVFMLYPB-UHFFFAOYSA-N 438.469 1.412 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 464861887 GLDRJCOSJPOJDU-SFHVURJKSA-N 447.543 1.280 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@@H]3CCCO3)c2=O)nc1 474354775 NUVRJYLLWFKCLJ-IBGZPJMESA-N 446.532 1.934 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 480118275 PPSCGQLJDCEZQS-KSSFIOAISA-N 444.538 1.765 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O 482143864 PFKCZFJTZGJVFL-BEFAXECRSA-N 426.498 1.489 30 10 IDEE C=CCOc1ccc(-c2nnc(SCC(=O)N(C)CC(=O)N3CCOCC3)o2)cc1 489801868 AYRRAIHXDRFMTH-UHFFFAOYSA-N 432.502 1.711 30 10 IDEE Cc1cccc2nc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[nH]c12 497954719 VOGSLLJWIGFIDK-UHFFFAOYSA-N 438.513 1.959 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 504087942 PHBCUXFYJPQKEB-UHFFFAOYSA-N 445.541 1.673 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506641541 GFYRXJLUFMVJRM-WOJBJXKFSA-N 428.581 1.431 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C#N)cc3F)cc2)CC1 530960795 KNEVMBQEKJTYRJ-UHFFFAOYSA-N 438.506 1.434 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 532740974 FZUQTLWXOQMYLQ-UHFFFAOYSA-N 431.537 1.731 30 10 IDEE CSCC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1nnc2ccccn12 585694701 IRLCLRDEZAOKMH-INIZCTEOSA-N 426.477 1.967 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(F)c1 586859895 MEMQSGFVWDEYFT-IBGZPJMESA-N 444.413 1.899 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 590915117 ZUQIXSXFYYLBBY-CQSZACIVSA-N 447.507 1.642 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 603990222 SXMGERCCMMDJSM-ZDUSSCGKSA-N 448.526 1.088 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1 607947666 JPCDZIMVLHOSQX-UHFFFAOYSA-N 439.537 1.017 30 10 IDEE CN(C)CCn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 618546876 SJROVNHDOOJRQV-UHFFFAOYSA-N 429.912 1.257 30 10 IDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 618890146 CIYHLEIOCOCMJD-AFYVEPGGSA-N 429.542 1.771 30 10 IDEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671664861 BDVRAHBISVMDTH-QGZVFWFLSA-N 434.493 1.681 30 10 IDEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730144302 ZGQQWKFBAPQNQE-GOSISDBHSA-N 445.589 1.581 30 10 IDEE N#Cc1ccsc1C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 731719838 QQCXIJCSUMVSDS-QGZVFWFLSA-N 441.465 1.287 30 10 IDEE COC(=O)[C@@H](OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1 755188363 ZMDOZOFQIOIKQF-AEFFLSMTSA-N 445.472 1.831 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(C(N)=O)cn2C)c1 755200553 KQZQQQRIYHPJJW-PTGBLXJZSA-N 431.518 1.969 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)CCN1C1CC1 778611383 HMVDDXSZWTZBHK-WMLDXEAASA-N 432.908 1.893 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H]3CN(C(=O)[C@H](O)c4ccc(C#N)cc4)C[C@H]32)cc1 780954916 RLIXYKYSCMMSFH-AFXVXQJMSA-N 444.491 1.646 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cccc(Br)c1Cl 790195875 PHQQEIKUHXOXLE-BUHFOSPRSA-N 434.699 1.907 30 10 IDEE COc1ccc([C@@H](CNC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)N2CCCCC2)cc1 798744908 NNPAOZVAXGMFGI-QFBILLFUSA-N 440.504 1.606 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC2(CC1)OCCO2 809911878 XFIRPLBDIYVCMP-UHFFFAOYSA-N 433.534 1.725 30 10 IDEE C=CCNC(=O)[C@H](C#N)C(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 810530768 GASBOFLQUOBOQA-ZSXPZZPQSA-N 429.476 1.477 30 10 IDEE COc1cc(CNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 811872298 YIZGENFUNQMWOV-UHFFFAOYSA-N 431.493 1.445 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COC(=O)CC3(C#N)CC3)cc2)C[C@@H](C)O1 815414007 MYKNLOWLIOSEHO-HUUCEWRRSA-N 435.502 1.660 30 10 IDEE Cc1c(NC(=O)[C@@H](C#N)C(=O)Cc2cn(C)nc2Cl)c(=O)n(-c2ccccc2)n1C 815911187 UOWIQQYKTOIZHL-HNNXBMFYSA-N 426.864 1.761 30 10 IDEE CN1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](c2cnn(C)c2)C1 849498100 RZAYBQGKMFLZHR-ROUUACIJSA-N 449.515 1.924 30 10 IDEE COC(=O)CCS(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 917757691 WDEDWOMNIFEIKR-MNDPQUGUSA-N 431.536 1.584 30 10 IDEE COc1cccc(C(=O)CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)c1 1084475931 ZVEYBIUTPPGDPF-UHFFFAOYSA-N 444.521 1.227 30 10 IDEE Cc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)s1 1084488434 VZGGJNHLEGOKAP-UHFFFAOYSA-N 435.451 1.755 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1132668075 AEHNLISEGYONLC-UHFFFAOYSA-N 435.546 1.928 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2nscc2I)n1 1139833299 HLJMGXLYKAFFQN-UHFFFAOYSA-N 430.271 1.866 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1141145153 MLYVYKMYTMTSMQ-HXUWFJFHSA-N 442.541 1.368 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@H]2C(=O)NCC23CCOCC3)n(-c2ccc(F)cc2)c1C 1176504600 FNPKAVYOCCIJIC-FQEVSTJZSA-N 439.491 1.928 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)c1 1252508208 QIDHOHVWANMFNN-UHFFFAOYSA-N 432.468 1.799 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1253893066 JZYJEZCNCCXFKY-JKSUJKDBSA-N 427.567 1.854 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1266190581 CKBMORRYAMMPCE-ZIAGYGMSSA-N 426.427 1.717 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCn1ccnc1C 1286296076 MHUPKOQUAFRMLW-WMZOPIPTSA-N 449.581 1.054 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1286376630 MVYXOQGFTFTGTI-MJGOQNOKSA-N 429.546 1.410 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386522 CBEBRZKMFUTEIJ-INIZCTEOSA-N 445.545 1.059 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286441549 ZILXBZZOXZPYMF-HTXNQAPBSA-N 425.880 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO2)CC1 1286488928 YMFCEDSPYGYSQZ-AUSIDOKSSA-N 445.564 1.464 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@H]2C1 1286534807 DBNHQEXNXISLQT-KGLIPLIRSA-N 428.331 1.722 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1286766755 VUWYXSHANIWGHZ-HZPDHXFCSA-N 433.534 1.287 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1286781549 TYODAEWNUYTPJV-HSZRJFAPSA-N 438.532 1.397 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](COC)C1 1286814821 WTJWDHNZNURSFI-INIZCTEOSA-N 448.549 1.389 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1287128584 GGZLDEFFRMXFPQ-IBGZPJMESA-N 435.532 1.790 30 10 IDEE C#CCN(C(=O)CS(=O)(=O)Cc1cccc(Br)c1)C1CCN(C)CC1 1289196084 XWIVHVILXFGGQQ-UHFFFAOYSA-N 427.364 1.920 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1291804480 QDWDMNWXNMECIA-QMHKHESXSA-N 435.532 1.838 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1293807701 APDYVFKNXZVHDF-QFIPXVFZSA-N 426.521 1.839 30 10 IDEE C=CC[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C(=O)OCC 1296236571 MKRJDTVTXMZKOV-FXUDXRNXSA-N 444.550 1.281 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC[C@H](O)C1 1297287366 BLFJHCAOSMRNPT-HKUYNNGSSA-N 425.537 1.959 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CCO1 1299155073 MSSUYLCXSPXTBJ-IBGZPJMESA-N 438.488 1.027 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNS(=O)(=O)CC 1300315028 OKADEYTZKUFVFH-MRXNPFEDSA-N 429.550 1.304 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1300409795 JYEBCLDPHMZZDY-SJORKVTESA-N 439.582 1.276 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CC1 1300603051 NLYFTPVCSKAJOZ-SSEXGKCCSA-N 448.618 1.917 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1300611356 CUINJMNYEZLHJS-UHFFFAOYSA-N 444.586 1.655 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1300632004 ZPDGICMYYAVJQH-IBGZPJMESA-N 431.562 1.622 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1300664160 OYYQIQULBNYFNA-UHFFFAOYSA-N 446.515 1.368 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1300891452 LABQWNWHPDFRML-GCJKJVERSA-N 444.580 1.829 30 10 IDEE COCC1=CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301195570 WCSZAIAHGMTYBE-OSCRUYLVSA-N 428.493 1.091 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C)n(C)c1=O 1301286102 ARNAKCXCNCTHKT-UHFFFAOYSA-N 441.561 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1301496627 DQFJYUAERNGELZ-JTSKRJEESA-N 426.521 1.725 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301509208 CGDABZMQRHGHDL-XMMPIXPASA-N 449.559 1.851 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1301565452 HPRWPSWXSMPQFZ-GOSISDBHSA-N 431.518 1.555 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301608253 YNLFLKJGAXYQPE-JOCHJYFZSA-N 425.537 1.487 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1301818132 JQDCIIRUKPMUGI-LJQANCHMSA-N 447.499 1.831 30 10 IDEE COC(=O)CCc1ccc(O)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1303570072 NQMLTIGDGLBWPT-UHFFFAOYSA-N 431.470 1.565 30 10 IDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCN(C)C)CCO2 1305248266 BRUHUIBTYMZWBJ-FDDCHVKYSA-N 440.548 1.779 30 10 IDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1ccc(N2CCOCC2)cc1 1307587230 VATVTCKHXCGQMI-UHFFFAOYSA-N 446.507 1.693 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1314993005 YITQQGXCSYXWQT-UDJKBAMHSA-N 443.552 1.356 30 10 IDEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1315409444 AMJRZRRKDDQDRJ-RTWAWAEBSA-N 445.545 1.633 30 10 IDEE COCCCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316053317 TZKYZGNWCHWQRH-QUCCMNQESA-N 427.505 1.974 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CC(F)(F)CO2)c1 1316528832 ITDMBPJYQXCBFL-KRWDZBQOSA-N 446.458 1.712 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCS2(=O)=O)cc1 1354942301 JRFOQZMLSBJFCX-BWGFTNSASA-N 427.548 1.795 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1358870598 PPDACESDSQZXCW-INIZCTEOSA-N 432.550 1.497 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1359030745 DOYQJSGHLMZXFY-AUSIDOKSSA-N 442.564 1.581 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1359032096 BCPVCFRMEGJVOS-GOSISDBHSA-N 448.518 1.958 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359055698 MWTVDVYJZYGOSD-MRXNPFEDSA-N 433.582 1.179 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1359097507 PYBIZKFLDDCBME-GHTZIAJQSA-N 440.548 1.925 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359136786 UZHRCJVDYZVBSP-ICSRJNTNSA-N 434.585 1.396 30 10 IDEE C=CCCCn1c(CSc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359220646 DYDNLBRVCFLERR-QGZVFWFLSA-N 440.573 1.992 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1359303569 UCNOLRLCAONNBJ-UHFFFAOYSA-N 436.560 1.862 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cnn(C(C)C)c2I)CC1 1436236418 UXRZTIBDXDFVBE-UHFFFAOYSA-N 430.246 1.988 30 10 IDEE C#CC1CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CC1 1437056426 MISWNSKFOUBFCH-UHFFFAOYSA-N 429.498 1.447 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)CC1 1450975640 VXRJVFNIHVURNI-INIZCTEOSA-N 425.551 1.882 30 10 IDEE C#CC[C@]1(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)CCCN1C(=O)OC(C)(C)C 1451173633 YIHSDSITUUUAPE-JXXFODFXSA-N 426.535 1.194 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CN1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2 1460826823 DEXYINXMRXFBTF-FIKGOQFSSA-N 439.578 1.663 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)C2=O)cc1 1463129966 SOTAUXYTVLXSGP-MSOLQXFVSA-N 444.513 1.189 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)CC1 1477236023 QLJBOKWMPSELBO-UHFFFAOYSA-N 447.605 1.213 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1501217760 GGPUBESMVCKUEK-KRWDZBQOSA-N 437.504 1.066 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507740784 FLGYXUWLEQFLDW-GOSISDBHSA-N 430.553 1.039 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507917205 ZCPMTQKUEUHYFF-JKSUJKDBSA-N 444.623 1.796 30 10 IDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507934609 HUOSOADYRCOVNZ-KRWDZBQOSA-N 425.537 1.959 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1508078637 FOMUNAKJSVNIAJ-GOSISDBHSA-N 447.561 1.659 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1508080022 HNMTZWPEPWBJPX-IBGZPJMESA-N 435.488 1.624 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@H]1C 1508088625 HIMSMTJAHNMFCS-MRXNPFEDSA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1508091498 LXYBUHKPWGCKTA-SFHVURJKSA-N 440.548 1.963 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1508125672 DTCDIMPWHAPNMO-CVEARBPZSA-N 433.475 1.859 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1516815077 BRCOCVCXLFKBNZ-OALUTQOASA-N 447.561 1.945 30 10 IDEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1530086032 FUBCDWOFLXPGHK-HXUWFJFHSA-N 445.585 1.788 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538539787 MHIDCVBOLLZVKS-KXBFYZLASA-N 439.559 1.036 30 10 IDEE C[C@@H](C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1538861503 GWYRXUXSFPJVEZ-QFBILLFUSA-N 442.516 1.926 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539219959 GFDOXNQGWBATQG-TVFCKZIOSA-N 449.577 1.061 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539226511 ZNUANBVHDSUGKL-IBGZPJMESA-N 446.573 1.929 30 10 IDEE C#CCN(CC)c1nnc(-c2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1539357442 LFWFXBZMHFZYAL-UHFFFAOYSA-N 428.518 1.821 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CC(OCC)C1 1539405848 NOVXAAMJECWTMW-UHFFFAOYSA-N 442.516 1.732 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCNS(=O)(=O)CC 1539541504 IFAJERZAOFFUHB-UXHICEINSA-N 439.582 1.252 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1CC 1539751387 MJDQDHCDQOZHSQ-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1540070962 BQHZPRFOXDHGSD-SFHVURJKSA-N 440.614 1.355 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1540617267 ALYPPEQTTJCGAC-UHFFFAOYSA-N 437.294 1.296 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1540868348 BGPFYOGNOZRMBM-MRXNPFEDSA-N 438.488 1.646 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540902661 NUTHSHZEBHIDBF-UONOGXRCSA-N 438.472 1.540 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1541926336 QMSGCDUIBPTZTN-KDOFPFPSSA-N 448.549 1.797 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 1542894737 KCULJCSQDDYEIQ-MBSDFSHPSA-N 432.565 1.307 30 10 IDEE CC[C@@H]1CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1546677904 KYRFIKGNPQXEAE-FZFLATATSA-N 427.509 1.306 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1552743902 ZTRTXPAFFJCHNH-UHFFFAOYSA-N 425.537 1.734 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1552871558 OYSMJISKVQEKPB-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE COC[C@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555263401 UECYNMCIFREXDF-MOPGFXCFSA-N 442.495 1.948 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(n3cc(Br)cn3)CC2)c1 1559031126 SJGZLWYLEVKFEQ-UHFFFAOYSA-N 438.307 1.101 30 10 IDEE Cn1cc([C@H]2CN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC23CCOCC3)cn1 1569322324 LJLOIOIGCJHXDS-GOSISDBHSA-N 446.504 1.893 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)cc1 1569808181 ZSZYTMQYJWVWKA-UHFFFAOYSA-N 425.466 1.371 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1587847591 ORYUSESMUDHCOL-INIZCTEOSA-N 433.516 1.755 30 10 IDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCCN1S(C)(=O)=O 1588007007 XNMSRAIGIGIDLO-GOSISDBHSA-N 426.546 1.775 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1588029063 DACCBIPZROTBST-IRXDYDNUSA-N 430.578 1.661 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(CC)s1 1588139781 RJBLJKLUCKMEBC-UHFFFAOYSA-N 447.572 1.987 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H]2C)CC1 1588930023 LFVMISHFVVZURO-YTQUADARSA-N 447.605 1.582 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1594668912 MMSGZAJNTIJMFT-SFHVURJKSA-N 431.585 1.515 30 10 IDEE C=CCCOCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1594829619 NJRKWNACKMNMSD-MSYCTHLASA-N 447.580 1.874 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1595475779 FROYZJHZTVPXHU-HNNXBMFYSA-N 446.483 1.748 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)N2CCOCC2)C1 1595699889 IPCSSJOCPYXGHD-LJQANCHMSA-N 427.505 1.594 30 10 IDEE CC(=O)N1CCN(CCn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1596297612 SJXOCCOROMCQNC-GCJKJVERSA-N 447.584 1.221 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CCC#N)CCN3CCOCC3)C2)C1 1598065476 IKSAKRGAWDZFEZ-FVRICEFQSA-N 445.564 1.848 30 10 IDEE C#CC[C@]1(C(=O)Nc2ccn(CCN3CCNC3=O)n2)CCCN1C(=O)OC(C)(C)C 1611032091 XHDGSPYJMLRFQN-OAQYLSRUSA-N 430.509 1.640 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1612923060 ANEUEWUHBGDGAS-UDJKBAMHSA-N 437.504 1.870 30 10 IDEE C#CCN(C(=O)c1cc(Cl)c(Br)c(OC)c1N)[C@@H]1CCS(=O)(=O)C1 1625362758 CXPPRKJOFOMJOP-SECBINFHSA-N 435.727 1.956 30 10 IDEE COc1ccc(C(=O)NCc2ccc(C)c(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1625736877 RKTLFMLRJIEMHE-UHFFFAOYSA-N 429.498 1.826 30 10 IDEE C[C@@H](CC(=O)N(C)C1CCN(CC(F)(F)F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1626469978 QDBRXZZSDUGQKR-ZDUSSCGKSA-N 446.495 1.989 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 1627266080 YBSSPPYIFXOMJC-BACBMZDUSA-N 435.278 1.564 30 10 IDEE C=CCN(CCc1ccco1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1631676108 XTCFWAVAZFJTSQ-UHFFFAOYSA-N 425.894 1.568 30 10 IDEE N#Cc1cn(CCNC(=O)NCc2ccc(COC3CCOCC3)cc2)c(=O)nc1O 1633483277 ABCNOXYGIGNWFL-UHFFFAOYSA-N 427.461 1.016 30 10 IDEE C=CC(C)(C)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1636510839 BNFVCHSOTSOIJI-AWEZNQCLSA-N 435.468 1.946 30 10 IDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3cnn(CCC#N)c3-c3ccccc3)C2)cc1=O 1639531372 CXTAWXSQSCNYNF-MRXNPFEDSA-N 433.472 1.272 30 10 IDEE C[C@]1(CCCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)NC(=O)NC1=O 1639989809 MOJBDZASVXXGPG-JOCHJYFZSA-N 435.488 1.365 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)C1 1642078746 WQSBZYBOONAFFX-GEXQTFPDSA-N 446.548 1.669 30 10 IDEE C#CCN1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1642207817 BKQBUIYFGZQFNG-JOCHJYFZSA-N 437.537 1.112 30 10 IDEE C#CCCN(CCOC)CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 1647850684 GULDMRYNYLLUCG-UHFFFAOYSA-N 433.574 1.722 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC1(C#N)CCOCC1 1647903944 HBIFWMWEAVJKRF-OAHLLOKOSA-N 429.539 1.662 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 1653332129 CJHWGHRXCFRVMK-RTBURBONSA-N 433.350 1.815 30 10 IDEE COC(=O)[C@H](CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)CC1CCCC1 1653437539 ZIDPAXLZRFEJPC-HOCLYGCPSA-N 435.546 1.989 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 1657804141 DHLAEMTVZWGWTJ-LBPRGKRZSA-N 425.518 1.147 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)c1 1674893107 DSFJHKXQIOOUMZ-UHFFFAOYSA-N 437.548 1.873 30 10 IDEE N#C[C@@]12CN(C(=O)NCc3cc(F)c(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1674977648 JSLWFAINGGUUJW-BONVTDFDSA-N 434.262 1.807 30 10 IDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c1 1676392361 CFOLQLLBGGYEJZ-UHFFFAOYSA-N 433.515 1.086 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1689898275 ZNXNAHDLLPLNNX-UHFFFAOYSA-N 444.543 1.888 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)NC 1690009021 VBYPDSOZMDGXAV-UHFFFAOYSA-N 430.306 1.925 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@]2(O)CCO[C@H]2C)n1 1690109323 NONBAZFKEGQFJR-JTSKRJEESA-N 428.537 1.568 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCSC)CC1 1690115098 RRVLHWBWASATBP-UHFFFAOYSA-N 433.603 1.857 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 1690139224 DTUCANKOUPIICM-GOSISDBHSA-N 436.516 1.198 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690469272 JNWPDRMRXZOLJF-QGZVFWFLSA-N 436.582 1.485 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1690497187 JSOICCSNAKCYFN-CRAIPNDOSA-N 429.612 1.814 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C 1690605527 NFQZGCRHYPPSJO-UHFFFAOYSA-N 447.503 1.837 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)C1 1690661186 WMSJUKFSGMJEAZ-NVXWUHKLSA-N 432.550 1.184 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1690892239 UHQHGFCFOYWMIY-JTTJXQCZSA-N 425.493 1.626 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1692593779 JCBFVKGKTBTIRU-GCJKJVERSA-N 448.568 1.158 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCS1(=O)=O 1692660027 BJYXAWAWWJIRCN-MRXNPFEDSA-N 442.549 1.290 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccccc1 1692779032 AWHIZMYTHUXXPM-ZOCIIQOWSA-N 436.513 1.238 30 10 IDEE Cc1ccccc1-c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693251345 QKMIHYBGRQYNMW-UAXDIQGASA-N 436.516 1.987 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698486824 SIONSXZHMFECEL-CILBIJLJSA-N 436.451 1.232 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1705572197 UBKGDHFWBZEORP-NRFANRHFSA-N 434.544 1.898 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCCCS2(=O)=O)n1 1705631442 FNMHZOXXHYXNBN-GOSISDBHSA-N 434.566 1.291 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccc(C)c2)CC1 1705638864 ZXTOQSQEHVCZIT-UHFFFAOYSA-N 430.516 1.229 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N2CCOCC2)CC1 1705643968 WNCZGMGZXDZZGJ-NJDAHSKKSA-N 444.624 1.673 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](COC)OC)CC1 1705649926 ICMQSXFKDVVYCH-GOSISDBHSA-N 446.577 1.261 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1705754702 DMIFDXGVSUEXJS-KBPBESRZSA-N 433.962 1.367 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1705754759 FRJKPWFCNBXULG-DAYGRLMNSA-N 430.958 1.707 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCc1ccco1 1705840720 ZMMUMKPXJJNETQ-UHFFFAOYSA-N 443.533 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)[C@@H]1C 1705899502 VLNKAZQDDSTJPP-ZDUSSCGKSA-N 447.337 1.677 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705935107 HLHQFBHMASJKRI-WMZOPIPTSA-N 447.536 1.324 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1705940022 SQQCBWCQAGEVCT-CABCVRRESA-N 442.611 1.009 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1708275468 DHHYTKULIDLDIN-VHKYSDTDSA-N 449.508 1.330 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1711203977 UKJDPYRJEGDXRU-SFHVURJKSA-N 433.534 1.493 30 10 IDEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712622207 RDVYNNOUVWKFQK-GOSISDBHSA-N 427.509 1.386 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@H]2CCOC2)C1 1712877265 GSJFUGZEWXIDBZ-MGPUTAFESA-N 448.524 1.907 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC1CC1 1722356741 TWOYHRKHVKBEAM-UHFFFAOYSA-N 435.576 1.238 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1722380598 RKTLTOYVEDJROP-UHFFFAOYSA-N 445.527 1.833 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1722390739 UBDWPGHSIBDJMA-MRXNPFEDSA-N 425.518 1.047 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc2O1 1722426548 DFGDYNXWTLVWSL-KRWDZBQOSA-N 425.489 1.327 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1722448147 NPDXFIDNRFRGLG-SJORKVTESA-N 446.552 1.715 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1722538440 XXHSBVQOJWRDHO-BBWFWOEESA-N 427.571 1.296 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCn2cncn2)CC1 1722561675 UZPDVJHZFFBCTR-UHFFFAOYSA-N 442.549 1.644 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722694041 JWQHGXKGYGSPPE-OAHLLOKOSA-N 429.502 1.617 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1722697387 IUSKUGPNAVIRAE-UHFFFAOYSA-N 437.504 1.627 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(CC)C(=O)C1 1722701570 VEIXZYWOKRBDJA-UHFFFAOYSA-N 440.548 1.433 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722726024 XCNKKZOCAKYBBP-UHFFFAOYSA-N 446.577 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(CC(F)(F)F)CC1 1722730088 IHPIWTKWWLKOQT-UHFFFAOYSA-N 435.516 1.906 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1722769636 BHTFDEMLAZKZNU-UHFFFAOYSA-N 437.504 1.718 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1727816600 IZXRKLCKJSEONO-IPAQQNCUSA-N 444.536 1.702 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1729636295 CFWPJIYVKAAOPG-QRQCRPRQSA-N 426.521 1.708 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1729715532 HTOYSAUCZCWMTR-HNNXBMFYSA-N 449.519 1.528 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCOCC1 1730323052 FVQDQUHNKUYNEG-FQEVSTJZSA-N 431.468 1.849 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C1CC1 1740629895 AFTORVYZOVUNJJ-JOCHJYFZSA-N 441.557 1.429 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1740656746 MHBYZHOTDDAFGJ-KSZLIROESA-N 437.541 1.212 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1740699034 YTQRSZOKZMYKED-QGZVFWFLSA-N 429.546 1.144 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1740764701 IXXZTZHJFYHKGS-ILZDJORESA-N 433.553 1.842 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1740793508 UCNKKKDHJIQNSI-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(CC)(CC)C1 1740951556 IJBJTWCQLDLPGH-CQSZACIVSA-N 444.627 1.303 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740956557 VNRNAZKYCRTCJI-LJQANCHMSA-N 438.580 1.247 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2COCCO2)C1 1740983815 QIAYMSUWUPALES-HOTGVXAUSA-N 433.534 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740988805 PWXWLOCLDLUTST-INIZCTEOSA-N 447.561 1.612 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1742202500 TVQAAUQGQIRTFI-RMYFCYLKSA-N 439.476 1.040 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1746510711 BBECGNYGBXTVRG-UHFFFAOYSA-N 447.547 1.165 30 10 IDEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1747904375 GPWSHQIPESGCTD-UHFFFAOYSA-N 431.547 1.501 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1748672304 RSRFPQRBUMVHKT-YJBOKZPZSA-N 434.518 1.310 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCS(C)(=O)=O 1748900699 KXVYNJDSOZCYGG-UHFFFAOYSA-N 433.559 1.167 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCCN(C)C)c2)CC1 1748986912 LVZVEOOTXBYJDS-UHFFFAOYSA-N 448.575 1.423 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1749010545 SGWLKPHLRGGTMZ-FPOVZHCZSA-N 442.608 1.870 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749209352 UYEQJXCCDSZYLX-YRXWBPOGSA-N 435.569 1.946 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1749531947 OHSFBCNDFAJFHU-ZCNNSNEGSA-N 436.516 1.833 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CC2)C(=O)C1 1749655402 JYALOYFNMPGOGR-UHFFFAOYSA-N 446.458 1.660 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(CN2CCOCC2)CC1 1749676943 IUVVGHDFFJYUGA-UHFFFAOYSA-N 444.605 1.781 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1=O 1750836684 KTDVPXHIPDQLRD-HXUWFJFHSA-N 438.532 1.927 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 1760136770 BQJFVIWJCRCWJQ-XLIONFOSSA-N 439.582 1.420 30 10 IDEE C#CCCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1760142545 GFLSPPDSIHSHLF-QFIPXVFZSA-N 433.553 1.417 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1760242055 RJRNANZPFOAVPS-KRWDZBQOSA-N 433.509 1.443 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1760247304 WKIZBIYSMPDRPG-INIZCTEOSA-N 430.896 1.673 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)CC1 1760260975 FQMFOFRASJNZRN-MRXNPFEDSA-N 434.591 1.025 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1760274386 JBPMLWCYJUERIO-QAPCUYQASA-N 429.612 1.650 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1760281674 PQSCNDXASBJORD-ROUUACIJSA-N 438.619 1.800 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1 1760515190 QRGKMPVWVBYVLY-UHFFFAOYSA-N 439.564 1.824 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1761272071 WSUPAOGFCKAYQU-AWEZNQCLSA-N 439.929 1.050 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC1(C)C 1761488176 ZRGSSMZQHBZXBF-SWLSCSKDSA-N 445.549 1.469 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1761550229 NEXKZKGTLONSNT-JXFKEZNVSA-N 446.458 1.855 30 10 IDEE CCCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N 1764570825 DFPDHVZAIAPYHY-AWEZNQCLSA-N 432.554 1.503 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(C)COCCO1 1767936530 QMQXZDCBXNLSTE-JOCHJYFZSA-N 426.521 1.818 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1769158559 PSYBAJCONMORFC-HSZRJFAPSA-N 447.499 1.689 30 10 IDEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)ccc1OCCO 1769853520 DGAHLBMEAJPMNQ-HOCLYGCPSA-N 428.493 1.253 30 10 IDEE COCCOCc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770127065 ABSJJHGBWZDWDU-PMACEKPBSA-N 427.505 1.722 30 10 IDEE COc1ccccc1O[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1770487245 FSEDBZAFGLFAIS-DLBZAZTESA-N 440.504 1.719 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1770730857 FNJGAFZNRFVMDL-CLCXKQKWSA-N 428.459 1.928 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ncn(C)n1 1771229295 NXSNKQILILIBHR-QRQLOZEOSA-N 436.520 1.922 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](Cc1ccccc1)OC 1772564405 WKAYJUIFGSEQFZ-RTBURBONSA-N 449.577 1.491 30 10 IDEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCN(c4ccccc4C#N)CC3)cnc21 1851968738 QSMCAGCGHWTKML-UHFFFAOYSA-N 433.516 1.959 30 10 IDEE Cc1nc(C(=O)OCCN2CCN(S(C)(=O)=O)CC2)c(C#N)c(C)c1Br 1852137339 POCQKBGUCYIPKR-UHFFFAOYSA-N 445.339 1.067 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)c1 1854974620 FNZDINIPFDSNNH-FXAWDEMLSA-N 430.936 1.944 30 10 IDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1857217248 JFCNPVLOSGXUAB-ZWKOTPCHSA-N 436.578 1.191 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)c(OC)c2)cc1 1858971128 OUHAZOBNYICPTA-UHFFFAOYSA-N 447.513 1.850 30 10 IDEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc(N(C)C)cc1)N1C(=O)c2ccccc2C1=O 1870142739 KKXPJXWFZINZSY-CYBMUJFWSA-N 429.440 1.828 30 10 IDEE C=CCn1c(C(=O)NCCCOC)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873594586 WQRKYRJQVGNDPI-UHFFFAOYSA-N 430.509 1.662 30 10 IDEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccncc2)cc1OC 1874219080 TYKUGLSVMMHGGN-FSJBWODESA-N 426.502 1.935 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H](O)CCN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1910954457 XFPIFGYNLAKRGL-XHSDSOJGSA-N 438.525 1.718 30 10 IDEE NCC#Cc1cccc(CCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 2178285342 JVQAFKQRMRLXNG-UHFFFAOYSA-N 425.510 1.145 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255543794 OJXNCHCKNGZWGC-OAHLLOKOSA-N 436.314 1.945 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255544594 BWAPSJWSPUHCSV-CABCVRRESA-N 436.314 1.943 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255635352 YMXNVTOTSFTFDR-KGLIPLIRSA-N 434.346 1.671 30 10 IDEE Cn1cc(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255648238 AGWNFRRNMROJHP-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1NC(=O)OC(C)(C)C 2255658975 LMNAGPFUXNSIDY-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255816105 ZDRGPLTXQQNWHZ-CQSZACIVSA-N 434.346 1.941 30 10 IDEE CCc1nn(C)c(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255822593 OUAZRRYPMMDLFM-UHFFFAOYSA-N 434.346 1.631 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2255834505 NZRGHPREYAAXQW-ZIAGYGMSSA-N 434.346 1.671 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255844117 QXRNVSUKQLTCKM-QFIPXVFZSA-N 443.378 1.809 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844638 ZVSSKDLHUIDJQQ-HNNXBMFYSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255849044 JSXMBFJQPSYULP-UONOGXRCSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256660754 IKYDGXZJFJSYFK-UONOGXRCSA-N 433.314 1.859 30 10 IDEE COC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CN(C(=O)OC(C)(C)C)C1 2267259865 GGMYKZSXRHOSQB-UHFFFAOYSA-N 449.357 1.690 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267270106 JNVVLAJTCWVLBL-QGZVFWFLSA-N 447.341 1.747 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]32)n1 2267505486 JFJLUCXALXEWOC-LXZKKBNFSA-N 446.357 1.847 30 10 IDEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267519976 JIJDVZGQDKSRDA-QHCPKHFHSA-N 440.353 1.418 30 10 IDEE C=CC[C@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)F 2270541113 XBVSOZTWIXVRBJ-KDOFPFPSSA-N 434.461 1.974 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2271685295 JSAILSYAUJPBTO-UHFFFAOYSA-N 447.341 1.435 30 10 IDEE C=CCOC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286050530 BPZFWUWMAZRRQU-SFHVURJKSA-N 440.518 1.451 30 10 IDEE COc1[nH]c(=NCC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2317503554 OZPZJAXAQGHQOX-UHFFFAOYSA-N 435.330 1.205 30 10 IDEE N#Cc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 15266203 HBXWEBHLGSTXFZ-GOSISDBHSA-N 446.485 1.213 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1 32275170 CGPAUGAFFOUIIB-UHFFFAOYSA-N 427.530 1.384 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 60466411 JDOKMTCJRKOQER-UHFFFAOYSA-N 443.861 1.754 30 10 IDEE COc1ccc(CCN2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254292959 JQUCSJTXJNTFBZ-JKSUJKDBSA-N 440.543 1.590 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cnc1Cl 316202911 YALKOHDREHULAW-JTQLQIEISA-N 427.729 1.309 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 434839978 HRLHWSSQIBIXSP-HXUWFJFHSA-N 428.514 1.503 30 10 IDEE CCO[C@@H]1C[C@](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)(C(=O)OC)C1(C)C 440858770 JRBDMKZBMRETGL-OWZDWXTDSA-N 437.518 1.088 30 10 IDEE CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)CC1 443327935 OPAPRNPHQYEUSU-UHFFFAOYSA-N 425.533 1.735 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447775454 DHYJVKUQOHHELA-UHFFFAOYSA-N 431.521 1.407 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC)C(=O)C1 460548310 CAPSFVRRHIMEOR-UHFFFAOYSA-N 431.566 1.873 30 10 IDEE CSc1nc(O)c(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N 463120571 RBIZXRDLUHNPAE-QGZVFWFLSA-N 426.498 1.581 30 10 IDEE C=C(C)[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(F)c(F)c1 477750769 ZYXUNIOFFVPDCG-GOSISDBHSA-N 444.504 1.486 30 10 IDEE CC(C)CCNC(=O)C1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 506905483 PUKKDKFGFBSION-UHFFFAOYSA-N 426.565 1.476 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1ccc(F)cc1 516829237 FAXUBDXRDPPDDT-UHFFFAOYSA-N 437.496 1.913 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCc3ccc4ccccc4n3)C2=O)cc1 518232720 WSZHBPBXQNGQNV-JOCHJYFZSA-N 441.491 1.682 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)c1 533086023 XDGBRYCTVZPIRL-GOSISDBHSA-N 438.549 1.965 30 10 IDEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc12 544863805 BTIIIBKLBMLKSG-CQSZACIVSA-N 437.529 1.677 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@@H](C)C1 549275275 ZUXCDQAURCTROG-KRWDZBQOSA-N 447.609 1.971 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 555393618 SAFCUFLJKFYRLP-HXUWFJFHSA-N 442.539 1.611 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCOC3)CC2)n1 559213215 HRSLUMLWNVUVSF-GOSISDBHSA-N 446.515 1.978 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)C1=O 565442358 CNFLMCHWMVDFAU-WMLDXEAASA-N 438.406 1.332 30 10 IDEE Cc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(N2CCOCC2)n1 585476378 VHYJYNXPEFCUAP-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE CN(Cc1ccc(C#CCN)cc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703978840 GTGFCPZRQXDEAG-UHFFFAOYSA-N 425.510 1.445 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727418374 QMMLUKYXXMFURC-UHFFFAOYSA-N 448.504 1.153 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 728089529 QZBOFGJWXZOHOO-ZDUSSCGKSA-N 444.465 1.910 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(C)C)cc1 730140266 JOWXNUUYMCLCHZ-QGZVFWFLSA-N 433.578 1.555 30 10 IDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)COC(=O)CN1CC(=O)NC1=O)CCCC2 732356920 PMWDYFUARDXHAN-UHFFFAOYSA-N 435.440 1.261 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3cccc(C)c3)c2=O)cn1 735068480 DHGURFROAXKWQG-UHFFFAOYSA-N 435.553 1.842 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1 742662460 AJORHRZETYJVIK-KMJMQOOCSA-N 426.502 1.550 30 10 IDEE C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 744546772 SOUKWGLBQZLWHN-WFASDCNBSA-N 443.319 1.283 30 10 IDEE CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 744788313 KGRRNOJUEAWRPR-QGZVFWFLSA-N 436.486 1.595 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)cc1C#N 747498229 PTMUWYAOSNKDCU-UHFFFAOYSA-N 432.458 1.004 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2CCN(Cc3ccccc3)CC2)C1 756888316 ACUAMEOFZIBRPI-PMACEKPBSA-N 427.549 1.679 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C[C@@H]1CCCO1 758561874 RWGFONRNHVQREC-AWEZNQCLSA-N 444.582 1.474 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 761012403 RLZDNJJIUUFXKU-DOTOQJQBSA-N 425.493 1.544 30 10 IDEE C=C(C)CN1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)CC1 771470742 XKGUMTZQFMVUJZ-QHCPKHFHSA-N 428.533 1.927 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCCNc2ncccc2C#N)C1=O 771598086 VTHPXIIHCFHLDE-QFIPXVFZSA-N 437.456 1.693 30 10 IDEE CC(C)(C#N)c1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 775621471 YVHSMUUZPAAXOA-SFHVURJKSA-N 425.576 1.122 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 780212844 BTRNYJIKWNKDMC-FQEVSTJZSA-N 443.481 1.558 30 10 IDEE CC(C)[C@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 780436935 FPONKWAUGMJYNS-BQASMSSTSA-N 435.525 1.800 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2C[C@@H]3CCCN(C(=O)[C@H](O)c4ccc(C#N)cc4)[C@@H]3C2)cc1 780954925 RLIXYKYSCMMSFH-WBADGQHESA-N 444.491 1.646 30 10 IDEE COc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 782574784 SEYJOWWEIGUUGC-UHFFFAOYSA-N 441.387 1.821 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCC2CS(=O)(=O)C2)C1=O 786689738 WWMXNLAOUYPFQL-CQSZACIVSA-N 429.951 1.842 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)n1 788809915 ASOVZWWGLRPPOM-UHFFFAOYSA-N 425.514 1.831 30 10 IDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 789889564 NYYYXGJWUQBTHJ-HSZRJFAPSA-N 432.484 1.378 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)n1 790105735 XBXXZEZUTGGHKX-UHFFFAOYSA-N 435.477 1.307 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)n1 790107625 GXKSASQBXCAYSP-HXUWFJFHSA-N 425.468 1.409 30 10 IDEE C#CCN1CCN(C(=O)CN[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 795193922 WLXRNJWYFQOZMC-QPPBQGQZSA-N 437.515 1.944 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2C1=O 800716428 FKBGEWWRNSHNLZ-UHFFFAOYSA-N 442.449 1.668 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 800734517 QYYJAXIWVWRJMG-UHFFFAOYSA-N 435.456 1.710 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/CCCN(C)c2ccccc2)N(Cc2cnn(C)n2)C1=O 807938105 UXYBCIKMDCTBEJ-XGIGFIBQSA-N 429.550 1.278 30 10 IDEE C#CCN1CCC[C@H]1COC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808983134 AOHTWCIFWPQMGF-SFHVURJKSA-N 449.573 1.276 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 812935151 XYFZTTLQXAHACB-FCEWJHQRSA-N 438.525 1.181 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)c1 857836054 HJNMGKAYTFVRHA-AWEZNQCLSA-N 443.481 1.142 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 915873278 CJMCSWRWDGJJRO-ZEKUBUJSSA-N 436.559 1.892 30 10 IDEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 916775067 JSZHZXXXVBDCAN-LHSJRXKWSA-N 446.529 1.641 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)c2C#N)C1 1131403302 LIOLTFDFUDKSBQ-LAJNKCICSA-N 443.529 1.964 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)=NO2)C1 1135336482 ZRJVGKMTPHYQLT-UHFFFAOYSA-N 439.516 1.968 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)C1 1136523155 KILFPZAVMYPXTO-OALUTQOASA-N 433.350 1.815 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1136758675 FFZZMDHBPCJGDF-AUSIDOKSSA-N 428.533 1.985 30 10 IDEE Cc1ccc([C@H](C)NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1C 1166614599 JROVNPYKWDNNTJ-INIZCTEOSA-N 440.500 1.718 30 10 IDEE CNC(=O)c1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 1167374920 CASDCZOWRPWVNV-LBPRGKRZSA-N 430.486 1.511 30 10 IDEE N#C[C@]12CN(C(=O)NCCc3cccc(OCC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1226983579 KULMXKISHNCGGU-WMLDXEAASA-N 431.436 1.750 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1286297463 BRZUKEPWLPDLMG-NVXWUHKLSA-N 425.518 1.267 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1286407705 ORDOMJIKELVZPG-ZDUSSCGKSA-N 432.410 1.223 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCC[C@H]2C)n1 1286471212 KEAHCOBYZDFPSL-PWHSHALESA-N 442.564 1.816 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC1 1286474964 PEEGCKIJNLOYRJ-UHFFFAOYSA-N 440.573 1.787 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286507096 UZCBWKXFDDZVJI-ZWKOTPCHSA-N 433.578 1.714 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286607862 KLSRDQSOTIWVEN-RTBURBONSA-N 437.610 1.838 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC 1286758582 RKAZIVWFQSADPR-QGZVFWFLSA-N 448.549 1.241 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2ccco2)CCOC1 1286961752 QWNGLKLRACHBTQ-KKSFZXQISA-N 430.509 1.938 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1286964342 HJCDMWHTLVKIOE-GFCCVEGCSA-N 441.355 1.853 30 10 IDEE CC(C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1\N=CC=CC1=O 1287201551 HXPRALDPMNURNP-HTXNQAPBSA-N 427.509 1.034 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)OCC)ccc1F 1288742095 JVPJNOKIGXSNIQ-HOCLYGCPSA-N 428.482 1.521 30 10 IDEE CCCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CC(=O)N(C)C1=O 1296901620 OPGJNQPBEKGUOF-XNROWMOSSA-N 432.521 1.769 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@H]1C 1297188084 HZKYADIYEYBUGB-OAHLLOKOSA-N 427.509 1.070 30 10 IDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1=O 1298891756 AESOWJLLMIRRJZ-IBGZPJMESA-N 449.515 1.903 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)C[C@H]1O 1299412902 HIFGZOZRNHCTLS-KFKAGJAMSA-N 425.489 1.604 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1c1ccc(Cl)cc1 1300112346 MIGDQSKAHSYEES-HCKAZOGZSA-N 431.876 1.972 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1300363754 GASHOIGJMPPUQM-IXDOHACOSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300491256 FSEYYCGCIGBWIB-QGZVFWFLSA-N 438.513 1.441 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1300495115 CXJVBUNHYLLSSQ-MOPGFXCFSA-N 429.546 1.551 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)N1CCOCC1 1300505789 JALJMFCYNHWFKZ-OAQYLSRUSA-N 434.544 1.563 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C1CSC1 1300607424 GDNBZXMLKWUNPZ-UHFFFAOYSA-N 440.543 1.434 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1300695516 CSKIXIVQBRPFCJ-JOCHJYFZSA-N 448.575 1.745 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300948893 HANWORJQMHCUHT-YTQUADARSA-N 429.569 1.184 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1301404656 QIHOMYPXHFFDOS-HNNXBMFYSA-N 438.579 1.603 30 10 IDEE C=CCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1301474009 QRBWYGUDHGKJFJ-LPHOPBHVSA-N 427.571 1.224 30 10 IDEE COCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301740454 KWXFHNLHEDKGDF-GOSISDBHSA-N 427.509 1.243 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCCS1(=O)=O 1302241712 AYTWRGWYQMUHRS-NXOAAHMSSA-N 425.555 1.565 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCC2(C#N)CCOCC2)C1=O 1305275147 NOKGOPRPJXVFJV-SFHVURJKSA-N 449.305 1.653 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 1307938833 OVORJACIWUNDKE-FQEVSTJZSA-N 438.912 1.738 30 10 IDEE CN(CC(C)(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1314714062 CFQJCVRLNFHWPX-MRXNPFEDSA-N 436.538 1.606 30 10 IDEE C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1357556749 IHOBQAFAQZPSEL-QGZVFWFLSA-N 441.532 1.675 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1358889616 DYZHKQZIJBUSFW-CVEARBPZSA-N 434.541 1.571 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1358965981 FUXHZDQXFMIFBL-MRXNPFEDSA-N 446.577 1.210 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358966237 KFYBWIHACHDMBU-SFHVURJKSA-N 435.594 1.410 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1358978604 QHTAQJAYVLTDTF-SFHVURJKSA-N 436.541 1.611 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](COC)OC)CC1 1359034244 JFIKLFAUHZDJQE-INIZCTEOSA-N 437.504 1.011 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)OC)C1 1359089029 AFLMGDFAFHJEHJ-BQFCYCMXSA-N 440.504 1.906 30 10 IDEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359211989 VZCAORNOVHGSTH-INIZCTEOSA-N 440.504 1.076 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1359240477 PHMJWYPEWKNPGQ-AWEZNQCLSA-N 426.568 1.241 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C(=O)OC)C1 1359294066 JGNBXOLDNFXXJW-AWEZNQCLSA-N 435.431 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359332011 MLIIQTQLUSCZOP-ROUUACIJSA-N 441.598 1.277 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359340389 LNEGNLMBEVAIJC-UHFFFAOYSA-N 445.593 1.376 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1359430101 ICBNZBTWAVTNNW-UHFFFAOYSA-N 449.519 1.515 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1360169417 DXXGBLLHQGBNGL-UHFFFAOYSA-N 444.561 1.749 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 1435323346 RCWXYXWYYHXYJG-UHFFFAOYSA-N 440.504 1.475 30 10 IDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1455810964 LPNVZQQHYKVBMU-UHFFFAOYSA-N 437.518 1.515 30 10 IDEE CCOC(=O)c1c(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c(C#N)cn1CC 1460990258 ZTSGDMRGTLNMPN-MJGOQNOKSA-N 425.445 1.488 30 10 IDEE Cc1nn(CC2CC2)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464031686 JACRWHNPIFEUGU-UHFFFAOYSA-N 441.557 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)N3CCN(c4cnccc4C#N)CC3)[C@@H]2C1 1471263542 BJFIRDJINFUVKZ-ROUUACIJSA-N 426.521 1.898 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CCN(c4cnccc4C#N)CC3)C2)c1 1479134323 VAXUFQNLQZUFJF-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCNC(=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492588305 OZURBTQULOQZKF-DQRAZIAOSA-N 449.515 1.030 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@@H]1CCOC1 1499154342 RAWMNUZKJJSHJM-IBGZPJMESA-N 425.537 1.877 30 10 IDEE CCCN1CC[C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1500961189 HHNBTHPDPJJYCG-JQVVWYNYSA-N 432.569 1.779 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1504593965 DJWHIRXGWMZPAE-IBGZPJMESA-N 440.504 1.201 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1507589343 WDHOTJIGJJIUIY-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507590868 HIKIAXRXDSJCMX-SFHVURJKSA-N 448.531 1.823 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507632295 YMKPHWOAUPBFOV-YTQUADARSA-N 429.546 1.639 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507635802 VRSCCXVSGPDZFG-RBUKOAKNSA-N 445.589 1.952 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@]2(O)CCOC2)n1 1507716004 FRHHLQXKFMRHOB-HSZRJFAPSA-N 436.516 1.579 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ncc(C)s2)CC1 1507731457 JCQHTQFZGIQAPK-NVXWUHKLSA-N 448.618 1.504 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507741514 VXQVZHDNJWVXJU-HDICACEKSA-N 434.610 1.426 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@@H]2C1 1507810483 ZRAJXNONNHGSMP-HOJAQTOUSA-N 446.596 1.699 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1 1507821238 XBARNPXOLWXDLX-IAGOWNOFSA-N 427.571 1.438 30 10 IDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1507971160 JJCMQEQTVXRFHF-OAHLLOKOSA-N 437.953 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(=O)NC)CC1 1508079378 SQOQOFUJQCQNJM-UHFFFAOYSA-N 440.504 1.329 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCOC2)C1 1508117295 MUKWZZFJNNXUDW-VGOFRKELSA-N 430.505 1.895 30 10 IDEE Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1510887360 ALQJHULRCXILIC-YLJYHZDGSA-N 448.524 1.410 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 1516220757 FNJIYNQHLBVDRT-XQBPLPMBSA-N 448.568 1.016 30 10 IDEE CCOCc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516548719 SLVVJSSYRMIHHJ-RFGMHMOMSA-N 430.509 1.346 30 10 IDEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1516669170 OPSHHQKCDUJMOA-KXBFYZLASA-N 425.530 1.829 30 10 IDEE C=CCn1cc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)cc2n1 1536230172 WFXNCZVTGMQUSB-UHFFFAOYSA-N 429.502 1.834 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2cn(C3COC3)nn2)c1 1539038422 OXNHCNHVQRQYAL-UHFFFAOYSA-N 448.531 1.843 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539337004 BIMJKLVOGBBUGB-XUVXKRRUSA-N 445.589 1.797 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(C)cn1 1539415943 IJULHLQIMDLIIZ-UHFFFAOYSA-N 449.563 1.743 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2c(CC)nn(C)c2CC)CC1 1539453370 IWOVDHXNROHTRL-UHFFFAOYSA-N 432.576 1.926 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1539496121 CENUAHRDMOBYKE-JHJVBQTASA-N 439.529 1.889 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1539526562 QLPPXVZIWSMOMU-UHFFFAOYSA-N 439.607 1.170 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1nncn1C 1539532916 GKHQHODAHNKAGB-ULQDDVLXSA-N 431.566 1.839 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](OC)[C@H](OC)C1 1539644644 HIXVOBUSSYVLCX-KYRVCDIISA-N 436.553 1.833 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539744757 VVXJQESKMVGSJI-KRWDZBQOSA-N 431.541 1.160 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540872288 JKIMEDDEFPQNQO-LJQANCHMSA-N 439.495 1.622 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1540873919 OBWSTWZSMRFUCL-UHFFFAOYSA-N 425.537 1.653 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(C)=O)nc2)C1 1540881382 HPORGDNWQRBBPM-QGZVFWFLSA-N 427.509 1.599 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1541115672 CXGVCASCSBWKEK-OKRNOHDPSA-N 449.602 1.703 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCSCC2)CCOC1 1541725787 OSUZPAOVJVBDHT-WOJBJXKFSA-N 438.573 1.809 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1541801184 PUZGWGKPQVFQSC-LBPRGKRZSA-N 441.355 1.995 30 10 IDEE Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cnn1CC(C)C 1542096917 AZHTVVRLIQOWTG-HNNXBMFYSA-N 448.597 1.838 30 10 IDEE Cn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369499 KYJMEZNBFSVZOP-GOSISDBHSA-N 446.433 1.920 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1555671997 TVCRJHOOPPUWAP-FQELHTAISA-N 433.484 1.778 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CCC4)[C@@H](F)C3)CC2)cc1 1556464464 UAWUVUZJFRIZOR-PMACEKPBSA-N 434.537 1.604 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1cccc(Br)c1I 1556750511 NGGHBYCSDMQEEV-QMMMGPOBSA-N 425.020 1.774 30 10 IDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568508056 KDUCPPCELAWIFB-MSOLQXFVSA-N 430.505 1.705 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)c1 1584077227 QFHWEMPABDWLDU-KKSFZXQISA-N 436.530 1.581 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1cc[nH]n1 1584650240 GBCZQEWSNWHTPR-MRXNPFEDSA-N 449.895 1.369 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(CC#N)CC1 1586491269 NVWBALISZYPEOA-HXUWFJFHSA-N 446.598 1.908 30 10 IDEE C#CCN(c1nnc(C)n1CCNc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1588034761 LNGBOHXVIPBXOY-ZDUSSCGKSA-N 443.455 1.134 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1588045820 RERGHQLLEDOKKZ-PGRDOPGGSA-N 444.557 1.686 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588050850 WAJVQUFBEYVGPB-LZLYRXPVSA-N 430.534 1.177 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1588068892 BPVZMBXUIBJCNW-QGZVFWFLSA-N 428.518 1.408 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CC1 1588811404 ILAMLGROPLIMEE-IBGZPJMESA-N 448.637 1.200 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(C(=O)NCC)CCC2)CC1 1588858177 YPGVPKQIRFETAN-UHFFFAOYSA-N 426.590 1.992 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1588899005 KHUVRPYFGJHBSM-UHFFFAOYSA-N 428.500 1.748 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1594626290 MBMJAFBPQZFOLA-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595501362 QYSGNAUMGNZKNL-XLIONFOSSA-N 435.532 1.276 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1595784056 AUIDGTCXRSXXKH-UHFFFAOYSA-N 446.577 1.682 30 10 IDEE C#Cc1ccc(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 1598582517 CXOHYTWWGKIXNS-UHFFFAOYSA-N 426.903 1.642 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1606664032 NQEZXHUGMJYONC-GTXBFPJKSA-N 444.536 1.387 30 10 IDEE CC(C)OCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1611045259 MBUCBSCPEBOYMU-MRXNPFEDSA-N 437.504 1.736 30 10 IDEE C[C@H]1CC[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1612717324 ANQVBTWHWVDHIV-HOTGVXAUSA-N 432.550 1.903 30 10 IDEE CCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613954921 UWEJRWNNPWKTLX-ICFOKQHNSA-N 440.426 1.715 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1613987330 IYGTYYMRELBFHA-IYBDPMFKSA-N 425.537 1.875 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)C2=O)cc1 1618731319 NFUHZCNIDWJAET-BBWFWOEESA-N 425.407 1.759 30 10 IDEE COCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1619816122 QEKMYZDLKNFQEN-KRWDZBQOSA-N 448.549 1.351 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)sc3c(C)cccc23)CC1 1622498312 FBDLQGIDFKCUAR-UHFFFAOYSA-N 427.573 1.292 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC1 1624072943 BXTUCKOARCZUJK-INIZCTEOSA-N 432.481 1.608 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2c(Br)nc3n2CCOC3)C1 1624820280 YDEJARDXOYHQME-WDEREUQCSA-N 440.298 1.665 30 10 IDEE CCOC(Cn1ncc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1N)OCC 1626694615 FKVFEUGNARQQSC-SFHVURJKSA-N 440.504 1.267 30 10 IDEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)CC1 1635160419 MADJYCQKYYIRRI-UHFFFAOYSA-N 431.514 1.793 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1638323845 LTPQWBQGQNRMPO-GOSISDBHSA-N 425.532 1.314 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC1CC(NS(C)(=O)=O)C1 1639248465 WPRZOWUTGQPNIF-HTWSVDAQSA-N 448.545 1.589 30 10 IDEE CN(CCc1cccc(C#N)c1)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1642075039 KRVZUNBTEKWOAV-UHFFFAOYSA-N 428.514 1.239 30 10 IDEE CC1(C)CC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)N(C(=O)OC(C)(C)C)C1 1642728238 MTBDMXGVZDHONQ-OAHLLOKOSA-N 433.509 1.753 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1643778388 OMOLCVOHPRFJIR-HXUWFJFHSA-N 442.541 1.162 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1643854871 NUSUNQOPPDHHOL-UHFFFAOYSA-N 437.396 1.169 30 10 IDEE CCOC(=O)Cc1csc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 1645191399 ZSYJDARQYMSFPF-UHFFFAOYSA-N 436.515 1.371 30 10 IDEE COc1ncc(Br)cc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1645586258 IQEUHGYRJIZTOK-UHFFFAOYSA-N 439.291 1.319 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)C2)c(=O)nc1O 1648028449 BNZDXGMRSWQYTH-UHFFFAOYSA-N 434.334 1.135 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CCO)C(F)(F)F)nnc12 1651221380 YVMJLSRPUWPAAX-ZDUSSCGKSA-N 441.435 1.752 30 10 IDEE C=CCN(C)CCN(CC)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1655614367 DBTSHWKGPNMNHC-UHFFFAOYSA-N 425.555 1.475 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nn1 1665451197 IBLFEGWJTPDYQE-UHFFFAOYSA-N 425.536 1.117 30 10 IDEE CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)s1 1666180431 GECPLYTWNIFYDS-UHFFFAOYSA-N 425.561 1.621 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1684304430 MMSCHVGGDYUHFQ-HNNXBMFYSA-N 429.926 1.403 30 10 IDEE C[C@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1CCN(C)CC1 1687870888 HVYUDGGLGHYVAE-MRXNPFEDSA-N 427.509 1.274 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1689852095 ADGFYGVZAGAHGB-CRAIPNDOSA-N 431.518 1.284 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690010040 UHBPIEJBSCDUAC-JOCHJYFZSA-N 443.555 1.832 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC 1690013413 NSMXMTFERNLQLP-UHFFFAOYSA-N 431.500 1.274 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1690047546 SZJDFMMAERUFGW-FQEVSTJZSA-N 435.532 1.330 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCS(=O)(=O)C1 1690106059 IYNUEICWMUMKAO-GOSISDBHSA-N 432.546 1.686 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)nn2C)CC1 1690117821 XARCOSVIASLSKY-UHFFFAOYSA-N 435.532 1.808 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690306020 MGXQQZJWFRBCGF-HZPDHXFCSA-N 435.912 1.946 30 10 IDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCS(C)(=O)=O 1690483624 SVRXMXCOERGLAW-UHFFFAOYSA-N 433.582 1.899 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1690514076 SPGXTFLUBUDYJT-INIZCTEOSA-N 425.493 1.758 30 10 IDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1690528292 ZAJYDDWOMOVYNN-QGZVFWFLSA-N 434.518 1.353 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1690609147 FEALGCHAVJMQQI-HNNXBMFYSA-N 431.522 1.185 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1696462021 NAEJEKVTQHJFQY-BTYIYWSLSA-N 444.561 1.554 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)C[C@H]1O 1697064839 ZFEUKADWAXDENP-RTBURBONSA-N 439.516 1.872 30 10 IDEE COc1ccccc1CN(CCO)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1697597012 IXTJDLVNLSLFKD-VXPUYCOJSA-N 426.477 1.120 30 10 IDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1698030644 BIQZTQDVAOCXHU-NRFANRHFSA-N 429.525 1.714 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1698223917 WUNUWMOBZNSGRG-SFHVURJKSA-N 433.534 1.493 30 10 IDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705515808 NBPYOWDDRAOUFQ-LJQANCHMSA-N 430.553 1.897 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1705551108 GTWUWMOZJIAMDE-HNNXBMFYSA-N 431.509 1.506 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1705613060 UZVYXEHOBYZTSV-INIZCTEOSA-N 448.545 1.714 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1F 1705621611 IQMHUGYAZDLFMU-ZDUSSCGKSA-N 427.477 1.301 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705739922 WGTKRIBRUFHWAA-RXVVDRJESA-N 443.596 1.889 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@H]2OC)CC1 1705769031 GWMQOGKJLAIWJI-KSZLIROESA-N 439.582 1.583 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705884328 LVJMIUZREHBJIL-GJZGRUSLSA-N 430.475 1.752 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1705935352 ONCAFYHFKNABMO-UHFFFAOYSA-N 449.581 1.203 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1722369480 ZUWSLXHFNFKJRB-ROUUACIJSA-N 445.545 1.598 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1722437649 ONCUIBCNQYQIOE-TZIWHRDSSA-N 426.540 1.979 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1722438283 PLSRHTYOPXPDCA-KRWDZBQOSA-N 437.470 1.292 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1722446281 COKOUOLOXRENIE-PMERELPUSA-N 433.534 1.393 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722459643 OGOUZOPFLDKBOH-SJORKVTESA-N 445.593 1.977 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1722511035 XYZQUKYLQIHMHQ-BJLQDIEVSA-N 433.553 1.796 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCCCC3)CC1 1722560302 VHVWSJGVXFGXAB-HNNXBMFYSA-N 434.570 1.411 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722615102 HMGXIMITOXRCSB-SFHVURJKSA-N 429.569 1.330 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1724549937 HDEGEPQMUPZBGS-WMZOPIPTSA-N 431.518 1.329 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1730783440 PTWYGPRTGKMAAR-JLTOFOAXSA-N 447.902 1.930 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731187229 KNEWFXIKYLUDPR-BPQIPLTHSA-N 428.468 1.342 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2cccc(F)c2)CC1 1740699170 WVPPHXFALPWAFN-SFHVURJKSA-N 440.523 1.762 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCC(=O)NC2CC2)CC1 1740704376 MVVYVQRJVDKLKA-UHFFFAOYSA-N 449.559 1.673 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)COC)CC1 1740709853 MLLIQJCAXFVLKN-WDSOQIARSA-N 433.553 1.250 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740715703 DTVUJTCAGICLBC-ADKRDUOOSA-N 431.587 1.969 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1740717550 VOUNXPOWMRDQTQ-ZWKOTPCHSA-N 437.635 1.611 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740794477 BPBLZAMMOBXOLW-GVDBMIGSSA-N 428.555 1.013 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](COCC)C1 1740951898 PXUQUKWWUZDOAR-INIZCTEOSA-N 427.509 1.481 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OC)C1 1740952996 SMPCRWDSQBMVBA-HNNXBMFYSA-N 447.565 1.074 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740960108 LIYHCXHRMVFQHQ-FCEWJHQRSA-N 443.504 1.333 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740993885 JOUYOLCMLRXDJI-QGZVFWFLSA-N 447.561 1.433 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1741001698 BDXXHXCDZHWRME-DLBZAZTESA-N 443.639 1.256 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1747419961 NDPGJPVNKYGXJS-VQIMIIECSA-N 428.562 1.924 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1748740154 MKUFRBHLFHQPJV-SFHVURJKSA-N 440.525 1.756 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1ccn(C)n1 1748789858 OTPAHPQXPQFHRA-QGZVFWFLSA-N 429.525 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(OC)CCOC2)CC1 1749011029 YGEXJFGKLADVTN-PGRDOPGGSA-N 431.537 1.291 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1749683551 XHIYJVRBHVOJSG-MRXNPFEDSA-N 431.566 1.832 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)C(C)C 1750966736 KPQCFRVIJHNERO-QFIPXVFZSA-N 440.552 1.417 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1751094322 HYMVVRPZOUWWOC-QAPCUYQASA-N 439.520 1.174 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760181867 CTLABPYNRVJQIH-QGZVFWFLSA-N 433.509 1.230 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760184488 XVMJHORYMYJVHX-CABCVRRESA-N 448.574 1.304 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1760210302 QBCSTXGSCMHRLO-LPHOPBHVSA-N 447.536 1.878 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760283902 CIPHXDNBQLDKRH-HNNXBMFYSA-N 431.522 1.036 30 10 IDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1760360607 HQPUIXYKGUWQAX-UHFFFAOYSA-N 426.521 1.600 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760446681 ZRIMTBPQHVCLMD-INIZCTEOSA-N 447.561 1.608 30 10 IDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760471253 QKRGSHHZKGQFJE-JXFKEZNVSA-N 439.582 1.367 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1760525354 CDGZHMAPKHHHIS-GXZWQRSESA-N 446.577 1.709 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1760527363 UJCNNBNFFGSTFV-SFHVURJKSA-N 441.532 1.764 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCCOCC1 1760558161 HUQGHAWXRATWLY-UHFFFAOYSA-N 436.534 1.693 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760567599 HDAQKVPNCOYCMN-LJQANCHMSA-N 447.653 1.536 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1761361615 LPHFBUKGXCQTDC-AWEZNQCLSA-N 438.504 1.921 30 10 IDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1763109911 KFNMMUUYPWKJLV-IRXDYDNUSA-N 441.502 1.670 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1767894635 DDVVPKSJLXJXCF-UHFFFAOYSA-N 432.431 1.587 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c(OC)c1 1768442952 SJPRBCXNLPWDAZ-CJNGLKHVSA-N 441.492 1.689 30 10 IDEE COCc1nocc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769394407 WCDMWCWNFLPWQI-WOJBJXKFSA-N 434.472 1.943 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C[C@H]1OC 1770296487 GDYAXQSTOKKENU-HDICACEKSA-N 426.477 1.509 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1771359590 GRFSNWZVFNCAOM-UHFFFAOYSA-N 444.561 1.594 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CCO1 1771536813 CGDLOIVHOMDTGX-SFHVURJKSA-N 442.911 1.425 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)CCO1 1771538023 YVBJBGOOHUFZHO-ZWKOTPCHSA-N 431.518 1.126 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1772842420 BWGKEXOLQVCHBL-HUUCEWRRSA-N 442.524 1.080 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC#CCN3CCCCC3)C2)cc1 1850124899 JLIBMIUEJPXFRD-LJQANCHMSA-N 433.574 1.701 30 10 IDEE COc1ccc(N(C(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)C(=S)N=CN(C)C)cc1 1852388967 MNVBCTAOCRQCHT-CQSZACIVSA-N 427.530 1.802 30 10 IDEE N#Cc1ncc(C(=O)N(CCS(=O)(=O)N2CCCCC2)Cc2ccc(F)cc2)cn1 1853543443 NXAAVZRSSYOFOY-UHFFFAOYSA-N 431.493 1.945 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(C[C@H]4CCOC4)C3)CC2=O)c1 1853611498 SPBPLSPYVZMADA-MSOLQXFVSA-N 430.936 1.801 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1c(F)cccc1F 1854604326 MVHLABSCYLUKEV-CYBMUJFWSA-N 433.436 1.827 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1855004744 NUDCOQQKLKYWTQ-CYBMUJFWSA-N 433.436 1.827 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1855427135 KJHGZBIGUJFXOH-CABCVRRESA-N 431.514 1.529 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1C 1855722656 CYEHBADBVUEQOL-OAHLLOKOSA-N 427.482 1.937 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1=O 1857148812 GBEZBUOFJAZYMJ-KRWDZBQOSA-N 428.855 1.702 30 10 IDEE C=CCO[C@H]1O[C@@H](COC(=O)C(C)(C)C)[C@H](O)[C@H](OC(=O)C(C)(C)C)[C@H]1NC(C)=O 1857784103 VKRXRSNZDUEZJR-NNXHMXCWSA-N 429.510 1.327 30 10 IDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCC[C@H](C)C2)cc1=O 1870561407 LROQNYULAZMBRB-SFHVURJKSA-N 443.569 1.982 30 10 IDEE C=CCC1(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1987169982 JDTVFKYZZXVNQC-UHFFFAOYSA-N 425.526 1.898 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H]1[C@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 2022909379 CAFOVBIHNWTYMU-HRCADAONSA-N 443.541 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060627332 IAHCJONJHNPNAA-CQSZACIVSA-N 434.302 1.350 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2060635628 NMWTZQROTJHRLN-UHFFFAOYSA-N 437.346 1.807 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2255604954 OEQARPRTULGVNN-KGLIPLIRSA-N 437.346 1.840 30 10 IDEE Cn1nc(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2255623119 JJRDRQMIBCCARO-YEJXKQKISA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255628042 CAJZJBLOJZZZHG-KGLIPLIRSA-N 432.330 1.790 30 10 IDEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255639669 UVHKSGPTJNRBMT-LLVKDONJSA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255661771 RFXQRBUXGWHIHR-CABCVRRESA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255810948 GWALXQRQDXNNLZ-HZPDHXFCSA-N 433.314 1.091 30 10 IDEE C=C(CN(C)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2256674701 LMTVGGCKGJZNHC-BTYIYWSLSA-N 440.346 1.365 30 10 IDEE Cc1c(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267530136 VWEQGUAEFJGPBE-MIFYACCESA-N 446.357 1.623 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2272649561 CNOKVFJXZGTPGW-ASSNKEHSSA-N 447.345 1.101 30 10 IDEE C[C@@H](C#CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2302416084 WZRALFNKOMBVEL-ZDUSSCGKSA-N 435.355 1.975 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2337191253 XBXJJCAMWOYFOX-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 10128079 WJERYMVECUFINB-AWEZNQCLSA-N 426.385 1.901 30 10 IDEE Nn1c(N/N=C/c2ccc(O)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 21315704 XABYSCLSAFKULE-DJKKODMXSA-N 428.434 1.783 30 10 IDEE COC(=O)C1CCN(C(=O)Cc2cc(=O)[nH]c(SCc3ccc(C#N)cc3)n2)CC1 23243248 UECIXROBGCAVAJ-UHFFFAOYSA-N 426.498 1.888 30 10 IDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 71530840 AUWSTHYSAHHTLL-NSHDSACASA-N 444.922 1.859 30 10 IDEE Cc1cc(C=NN2CCOCC2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 254820010 QVFUOIJIVAEDGN-UHFFFAOYSA-N 432.546 1.781 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2I)CC1 428789818 WFYKTJYWVZJZEY-UHFFFAOYSA-N 446.264 1.882 30 10 IDEE O=C(NCc1cccc(N2CCOCC2)n1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 477997780 ZLLFPPICWQUMQD-UHFFFAOYSA-N 441.491 1.968 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488917521 SUYMULXEXCRANO-UHFFFAOYSA-N 439.490 1.401 30 10 IDEE COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489702727 MGQZOXZORHCTKG-UHFFFAOYSA-N 429.502 1.215 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 509000870 LBTGYJHPRKXXDA-IBGZPJMESA-N 440.548 1.930 30 10 IDEE C=CCN1CC[C@H](N(C)c2nc(N(C)[C@@H]3CCN(CC=C)C3=O)c([N+](=O)[O-])s2)C1=O 513066289 XYLNMBLAARFLGD-KGLIPLIRSA-N 434.522 1.498 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCO3)c1=O 522674870 NEVHGTBMQIKSCG-UHFFFAOYSA-N 440.521 1.937 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccc4sccc34)CC2)cc1 577153157 YLYGKYPNDCZFFI-UHFFFAOYSA-N 441.538 1.795 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 582075192 NBIBRUPYYMQEBE-ROUUACIJSA-N 439.582 1.440 30 10 IDEE N#Cc1ccncc1N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 584268465 RGLLNMNRTRGBGT-UHFFFAOYSA-N 432.528 1.496 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 603990327 YQUIFGJXOFTIKH-QGZVFWFLSA-N 439.537 1.053 30 10 IDEE COC(=O)CCOc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604023123 NNKQTZCRZVWTMY-UHFFFAOYSA-N 430.486 1.406 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1-c1ccccc1C#N 610955342 VYOOJGMGENBOBS-UHFFFAOYSA-N 426.457 1.766 30 10 IDEE C[C@@H](NC1(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCOCC1)c1ccccc1 733649882 FFFPTZSNMVRJCT-QBEKEKFNSA-N 441.532 1.712 30 10 IDEE C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1ccncc1 749774757 BDTYHNBYJVAVIK-IRISZBEPSA-N 443.529 1.753 30 10 IDEE CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)s1 758554578 AFWJQRYKICCFEP-CQSZACIVSA-N 444.582 1.450 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCC4)ccc3Cl)CC2)n1 760773939 BKVKWHAOMRDIMY-UHFFFAOYSA-N 445.932 1.963 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1-c1ccccc1C 767956070 PDIMBCMFBWSUAH-UHFFFAOYSA-N 437.521 1.683 30 10 IDEE CCOC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 769744106 GWDCTNDJLTYWON-GOEBONIOSA-N 429.502 1.857 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2COC3(CCOCC3)O2)C1=O 776744123 RHRBLEYGGLCTAP-NVXWUHKLSA-N 444.513 1.548 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCc1cccnc1 783956771 HCCWMFBCBRZALQ-UHFFFAOYSA-N 430.518 1.821 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1 789323148 WRZNONNBNZUVNK-UHFFFAOYSA-N 427.461 1.084 30 10 IDEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cnnn2Cc2ccccc2)cc1 792866968 REZXKFSWDJMLGP-DHZHZOJOSA-N 426.454 1.585 30 10 IDEE COc1cnccc1N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 793153746 RYWREKQTLUGUNN-CVEARBPZSA-N 430.509 1.681 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](N2CCNC2=O)C1 800775044 GRVVWKUHTCUMRU-GOSISDBHSA-N 439.520 1.885 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=C)C)CC1 802564595 GTCBNCIQTMDXLN-UHFFFAOYSA-N 440.548 1.963 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCO2)n1 812309828 GXLIOIMOEDXIJG-MOPGFXCFSA-N 430.509 1.028 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)C1 915099234 MREARPBQNIEXLS-HZPDHXFCSA-N 446.533 1.887 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 916178964 YMEPGVHOMSYBPR-MRXNPFEDSA-N 441.465 1.329 30 10 IDEE CCOC(=O)NC(=O)C(=NNc1cc(NC(C)=O)ccc1F)C(=O)NC(=O)OCC 1088734512 HAOFUTUVYYGTMX-UHFFFAOYSA-N 425.373 1.097 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1 1127456571 HREXHLVSVUVVMS-OWCLPIDISA-N 439.509 1.917 30 10 IDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1149175997 FFAGOLLVGINOMQ-FVNWOWOISA-N 428.489 1.839 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ncc(Br)s1 1152723250 SQXPXHMOCCJKCD-VIFPVBQESA-N 429.321 1.760 30 10 IDEE COC(=O)[C@@H](Cn1ccnc1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1161210591 IMNNOSVZYLIVSW-FMPZLKCCSA-N 431.493 1.328 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)nn(CCC(=O)OC)c2C)ccc1F 1169031458 WRHVGNQWONGGSR-UHFFFAOYSA-N 438.481 1.919 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1171439803 PFAGPCMNBBJOEC-UONOGXRCSA-N 431.917 1.693 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286329891 XBKJVWSJCPFLOF-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(C(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1286385800 PHNJUMRNVZTFEL-OXQOHEQNSA-N 443.573 1.790 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1286394973 QJCJPMCGCXWTSM-MOPGFXCFSA-N 444.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1286398413 WTFSXVNNHNEZSV-LLVKDONJSA-N 446.480 1.485 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286490437 KXHLZFVKGFUWER-MRXNPFEDSA-N 433.578 1.336 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286785130 FUCQUKREXJEWJW-UHFFFAOYSA-N 439.505 1.328 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC1(c2ccc(OC)cc2)CCOCC1)c1cc[nH]n1 1292077737 QGJWBJNJWLKCEL-UHFFFAOYSA-N 444.488 1.567 30 10 IDEE N#CCCN(C(=O)[C@H](CO)NC(=O)OCc1ccccc1)c1ccc2c(c1)OCCO2 1292821939 BAHYSFBZKGPIBO-SFHVURJKSA-N 425.441 1.992 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]23CCCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)CC1 1292889859 MQSLCTOVDXSXJC-YADARESESA-N 446.592 1.840 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCN(C)C)[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1294386551 DGAXXJHTULZFDF-INIZCTEOSA-N 434.566 1.267 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1300410726 PYVUSRWFSPFHES-GJZGRUSLSA-N 433.500 1.666 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1300486747 AJNQYKFDTVLFLY-GUNSETOZSA-N 447.586 1.268 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300493478 UYHBRFKCTRAVQC-GOSISDBHSA-N 440.529 1.384 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300496000 MNAZBBBUOVJCNV-MRXNPFEDSA-N 447.609 1.888 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(CO)c2)CC1 1300719499 DDURWWAIQCPEBK-UHFFFAOYSA-N 430.512 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCC2)CC1 1300726774 QNPLLPRAAISCTH-UHFFFAOYSA-N 435.576 1.716 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1301496828 HUBRUFWWUNXOPF-OAHLLOKOSA-N 441.565 1.321 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1301497842 FWSNIVGYVNTYLY-UHFFFAOYSA-N 426.525 1.363 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1301578480 BUAIPNFIIMFBHQ-MRXNPFEDSA-N 440.529 1.766 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1302131888 XKECPAUTGXBDCN-WMZOPIPTSA-N 447.561 1.850 30 10 IDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3O)CC2)c1C#N 1309406560 BCDIOWBIXJBUTM-UHFFFAOYSA-N 429.424 1.836 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)CC1 1311555563 JGHVJAVOVJXXJH-HNNXBMFYSA-N 434.518 1.687 30 10 IDEE Cn1cc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CCO2)cn1 1314900917 OPQXDRJZOYZTOV-HXUWFJFHSA-N 437.504 1.527 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c1 1315561347 FENPMPGRLABAEM-YOEHRIQHSA-N 425.493 1.406 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1c(C)noc1C 1316207239 UZAHXWYUWGKQEA-SJLPKXTDSA-N 429.525 1.832 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1316347071 CGGIGYVIJGTDOQ-UHFFFAOYSA-N 438.513 1.915 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358966713 VDLJXIGECFIYIS-SFHVURJKSA-N 445.520 1.635 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1359044015 RJZJHQQAFXHWMN-IRXDYDNUSA-N 437.548 1.905 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCNS(C)(=O)=O)CC1 1359168593 AXODGVDGRBBWHL-UHFFFAOYSA-N 435.550 1.961 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 1359300622 GTJPCCCLPWAEIN-ZBFHGGJFSA-N 433.534 1.385 30 10 IDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1cc(OC)c(OC)c(OC)c1 1359305503 FGBZAAJWWSMIFR-UHFFFAOYSA-N 427.465 1.750 30 10 IDEE N#C[C@H](CO)NC(=O)COc1c(I)cc(Cl)c2cccnc12 1449520233 MRIAKXJCEPRNHM-MRVPVSSYSA-N 431.617 1.872 30 10 IDEE COC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CCC[C@@H](OC)C1 1452760325 XCYNQXNDMNPUHK-QGPMSJSTSA-N 437.518 1.274 30 10 IDEE CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1453518771 SMHDWQJAODBWMA-HOTGVXAUSA-N 447.540 1.417 30 10 IDEE C#CCCN1CCC(NC(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1465396925 USXDOYIAGHUZTQ-CADBVGFASA-N 433.549 1.777 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1 1466318361 UTWZSPZUKVDXDT-QLFBSQMISA-N 425.482 1.527 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)C1 1469571989 GUXZHLJHTSOFON-UHFFFAOYSA-N 434.518 1.335 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1470252989 CSKWQHCTEOLLGV-UHFFFAOYSA-N 448.467 1.359 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N(CCO)CCOCCO 1470601221 WAFWCFMXFPBULV-LJQANCHMSA-N 433.505 1.222 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1471252180 WAGHNWODBILLJA-UHFFFAOYSA-N 441.815 1.552 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1471535097 CDWASGLZFZHPMB-INIZCTEOSA-N 425.551 1.078 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)CC1 1473551139 CKAKQKFHYRHMHV-ZCNNSNEGSA-N 437.569 1.658 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(CCCc3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1503778335 RJYKQHBYLMARDX-HXUWFJFHSA-N 434.500 1.918 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1503827384 ADIWJENDOFTWSV-UHFFFAOYSA-N 439.520 1.495 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1504600761 OTNCPGMDACCVJG-YOEHRIQHSA-N 436.513 1.271 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1507718101 BLFBBAFJVDEDMT-QPPBQGQZSA-N 444.624 1.948 30 10 IDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1507745517 ZLVFMJHUGBGNPP-UHFFFAOYSA-N 446.396 1.883 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507748145 KXZBMBWFGFDHTD-QZTJIDSGSA-N 425.514 1.543 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC(C)C)CC1 1507853097 GTEGGAQSZCRSCA-OAHLLOKOSA-N 434.994 1.188 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@H]1CC 1507945202 DMEJQZMABGLDCU-MRXNPFEDSA-N 431.566 1.919 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1508071658 DPCFXCHCEQWRTO-HNNXBMFYSA-N 445.520 1.888 30 10 IDEE Cc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)c(=O)n1C 1510896958 FLHHVMGQACGYKQ-INIZCTEOSA-N 449.515 1.484 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCNS(C)(=O)=O 1539193928 MRYMLEMMUFMPNE-UHFFFAOYSA-N 442.339 1.238 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N(C)C2CC2)CC1 1539481142 IJLRKDIRHLNPMU-PXNSSMCTSA-N 428.581 1.968 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1539721788 HNJHEFPHVUIXIG-MRXNPFEDSA-N 431.497 1.376 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540006058 QAZLPKRENXJFMB-SFHVURJKSA-N 441.561 1.740 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)C1 1540892015 CXMCVXPSGGZPKZ-HOTGVXAUSA-N 439.582 1.124 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1547221407 AQIMEVCVUIRDFL-SFHVURJKSA-N 444.561 1.604 30 10 IDEE CN(CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)CC(F)(F)F 1554294252 PMEQXEQGRVVIKD-RDJZCZTQSA-N 441.502 1.843 30 10 IDEE Cn1[nH]c([C@@H]2CCCN2C(=O)C2CN(c3ccc(Br)cc3C#N)C2)nc1=N 1556315831 GPVHAPIEZBEONE-HNNXBMFYSA-N 430.310 1.662 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1557933808 AJZQXIAFJIXHNU-LSDHHAIUSA-N 445.944 1.940 30 10 IDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1559032595 BBLNBYIBAZZETP-UHFFFAOYSA-N 447.469 1.160 30 10 IDEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCOCCS(N)(=O)=O)cc1 1564891812 BELGYEBZPSPLIE-UHFFFAOYSA-N 434.493 1.714 30 10 IDEE C#CCN(C(=O)C1CN(S(C)(=O)=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1565764054 APGQKXLFNJYIKQ-OAHLLOKOSA-N 427.320 1.626 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3cccnc3)CC2)s1 1566690432 MUOTXQWWMZGIMQ-UHFFFAOYSA-N 434.543 1.135 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCSC[C@H]3S(C)(=O)=O)C2)C1 1586613621 NFXXEZULEGAPND-UARSRXHTSA-N 443.591 1.719 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1587638148 CEEFRGROWUBMSF-OVWQWFNUSA-N 439.582 1.273 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2Cc2cc(C)no2)c1 1587697684 WULNZJFYEHVNBW-UHFFFAOYSA-N 447.499 1.801 30 10 IDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1587999067 PGOQYFVSVAJKHY-RBUKOAKNSA-N 428.562 1.538 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588779722 AJNIXZUJRQEVGN-AOMKIAJQSA-N 445.951 1.902 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589394410 FJJUZXNIRDZJRJ-RYUDHWBXSA-N 434.360 1.397 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595555647 GIMKSBNMWJKPSU-AEFFLSMTSA-N 426.496 1.273 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602016 DBNAWBXXKWKGOU-WTOYTKOKSA-N 449.552 1.005 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCC2)C1 1595743624 CWKNOTYNJROREZ-INIZCTEOSA-N 437.566 1.149 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(C#N)o2)CCOC1 1610390962 FOTXACUPZJQCBQ-QFIPXVFZSA-N 444.536 1.600 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1611619141 JLNUCACQJQDXMR-DOTOQJQBSA-N 431.928 1.691 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1=CCCOC1 1613588693 QHMRLDCSBYQCEZ-LJQANCHMSA-N 427.553 1.720 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1F 1613594266 FHBGGIOSYUTOSL-OAHLLOKOSA-N 431.472 1.538 30 10 IDEE CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1615768679 MLEYWARTERSKIG-WIWAJNDWSA-N 429.569 1.922 30 10 IDEE CN(C)CCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617703390 WJVHQMUNVPMVNV-HXUWFJFHSA-N 441.555 1.763 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1619979431 QECTZXLNLFYGBC-XOJOWECISA-N 430.509 1.517 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)s1 1624989900 ATINWKZFCFMUDS-INIZCTEOSA-N 436.511 1.722 30 10 IDEE C#CCN1CCN(C(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 1635017694 ZBVPANAODSZUGU-LJQANCHMSA-N 426.517 1.856 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)ccc1F 1643119120 XRUJHPPNSIOFAI-INIZCTEOSA-N 437.415 1.573 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)c1 1644639530 RGXJWEHHTZGXJF-NRFANRHFSA-N 425.554 1.987 30 10 IDEE COC(=O)[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1654906545 PZFATAZYLOGHET-QGZVFWFLSA-N 428.489 1.839 30 10 IDEE CCOC(=O)c1csc(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)n1 1660661685 CMXDKTSNZZDJOG-UHFFFAOYSA-N 438.509 1.741 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(C#N)cn1CC 1662775268 BMARZSNJMUGXOC-KUHUBIRLSA-N 438.506 1.414 30 10 IDEE COC(=O)c1ccc(OC)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1663733794 BONCVTDXUOJYDL-GOSISDBHSA-N 443.481 1.433 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 1669172118 NUIJFISWAUULRF-UHFFFAOYSA-N 447.561 1.823 30 10 IDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1674098833 FTRATAUZPHMZFH-MOPGFXCFSA-N 435.594 1.968 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 1677094912 UJOXNQHXCXRXKZ-LLVKDONJSA-N 437.324 1.988 30 10 IDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1683853569 GUMQEBSODOLBSU-UHFFFAOYSA-N 441.575 1.783 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C3CCC3)[C@H]3CCCO3)CC2)cc1 1684235734 LKXSWKIMJUBTTD-UXHICEINSA-N 432.546 1.922 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)C(C)(C)C 1689840162 TXSNRQOSBDPTSU-FOGNVHKLSA-N 426.550 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1689848318 SMPFOEAWKLRLLX-INIZCTEOSA-N 447.543 1.956 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1689921160 WSJLCBPNZKYRNU-UHFFFAOYSA-N 433.534 1.457 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1690033298 UUPCFMKVZXTLBN-DXIQSLLYSA-N 448.637 1.862 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)C(=O)NC)CC1 1690128339 AWKHTSVXYSLZGN-UHFFFAOYSA-N 434.548 1.044 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1690195967 TYEIEEIMEJSVBK-USCONSEESA-N 444.536 1.299 30 10 IDEE C=C(Cl)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690358862 MQGBGECPZKYHHM-GOSISDBHSA-N 447.989 1.589 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690722317 FEIZEQUZDGVMQY-UHFFFAOYSA-N 445.467 1.835 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)n1 1693196102 DXXVJPNUOCSGMW-UHFFFAOYSA-N 427.490 1.243 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCn2ccnc2C1 1694355445 UUROHDAGCKBNOZ-DOTOQJQBSA-N 426.525 1.384 30 10 IDEE CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1694545262 HYXZTAYPTWACNC-FGZHOGPDSA-N 428.512 1.928 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1698079162 KQYTYVHFAYILMA-YWZLYKJASA-N 447.540 1.571 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CN(CC(C)C)CCO1 1698231427 XXWAFJWKCKAHTL-FYQPLNBISA-N 434.585 1.955 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1698246385 REQGEOQAIWMVAO-XGHQBKJUSA-N 436.532 1.555 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCC=C 1705606339 ZVGRISNCZLPMLA-UHFFFAOYSA-N 429.550 1.308 30 10 IDEE C=C(Cl)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705760996 XTIOFRIRZSAGOX-LJQANCHMSA-N 427.933 1.542 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CC1 1705782406 WJZLDPWWBDLYBD-GOSISDBHSA-N 435.594 1.985 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705803746 CFCSLMATHSEKKX-UHFFFAOYSA-N 440.552 1.306 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705829543 UWODLDGODBSNKM-KRWDZBQOSA-N 444.496 1.768 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705832151 OJLNPNWKZAAEGD-QGZVFWFLSA-N 439.582 1.397 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC 1705865922 BQDIKAKWWKOGIY-HNNXBMFYSA-N 425.580 1.975 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1705908417 PEVHLXJCQBYIEP-UHFFFAOYSA-N 440.508 1.180 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@]2(CCOC2)C1 1705908906 XOKMEVVYBKHFJE-QHCPKHFHSA-N 441.532 1.717 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705912508 MCRBEDXIKNLXSM-IRXDYDNUSA-N 445.545 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccco2)C1 1705937998 KNIFWMTYXIBFDU-MRXNPFEDSA-N 433.534 1.588 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706061010 HSOOAJRMMYVYDT-IBGZPJMESA-N 438.536 1.292 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCS(C)(=O)=O 1706116194 TXTZDYXCFQAZLP-UHFFFAOYSA-N 431.566 1.604 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1706603482 UIBNQZWQGVEYPW-QRWLVFNGSA-N 429.504 1.261 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1706832046 GCDGYUKLEBGCCS-AWEZNQCLSA-N 430.534 1.212 30 10 IDEE CNC(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1711402552 QVDYOMXGWXIKAN-INIZCTEOSA-N 447.540 1.463 30 10 IDEE CNC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1711403720 DKAGZXYGBRPSPS-UHFFFAOYSA-N 435.463 1.679 30 10 IDEE CO[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1711516543 ITFSRJQGAIJHPO-WBVHZDCISA-N 428.541 1.447 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(O)CCC2)c1 1722306245 POQPLEBBRRVFEL-UHFFFAOYSA-N 436.516 1.485 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2nncn2C)c1 1722309118 JLGJWXTUHJSOLI-KRWDZBQOSA-N 434.504 1.405 30 10 IDEE C#CCN(c1nnc(C)n1CCCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1722363576 GOGXFJOFIKNOCY-NRFANRHFSA-N 427.574 1.662 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1722366936 LDIGLUPTFGTZPV-RTBURBONSA-N 444.557 1.856 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1722426920 OLEDHRJEOHIHLG-ROUUACIJSA-N 437.566 1.053 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722429638 UHCXRWVUCJODJG-QYZOEREBSA-N 445.543 1.214 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1722656888 LBMLIZHTWMGKPY-JPYJTQIMSA-N 433.516 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](CC)C1 1722693770 ZUAFXTMEYKCCCZ-INIZCTEOSA-N 449.602 1.983 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1722698552 HSYPSXYHQZDRTD-GOSISDBHSA-N 436.520 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)CNC(=O)C2 1722726814 FOSXOBMGRGCVIE-UHFFFAOYSA-N 444.561 1.356 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1722728928 ZWDHBHJALSXJSY-WMZOPIPTSA-N 447.536 1.963 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1722874275 DYMDKWQNTQSFMH-UONOGXRCSA-N 428.522 1.251 30 10 IDEE Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726392851 AHIAKMOJPUDZTA-ZDBRSUKYSA-N 445.524 1.606 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)CC1 1728665704 CGHKPLJFDSLOMA-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729377645 KJKUZOVHRVMAQB-ZZEZOPTASA-N 443.552 1.813 30 10 IDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1730357192 GTIVJUGCHOZPLT-VQHPVUNQSA-N 440.570 1.022 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)OC 1730472972 HIUHOCOYELLHBL-QAPCUYQASA-N 428.493 1.057 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(=O)(=O)CC 1740598715 ATTAFVDAANZYLQ-UHFFFAOYSA-N 432.550 1.546 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N1CCOCC1 1740600066 IKHCUWAKTGBKMI-QGZVFWFLSA-N 427.505 1.745 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740632776 WQTDGUZVXXJTSO-WIYYLYMNSA-N 434.562 1.216 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)on1 1740652833 OJVGAECUVBNOFF-UHFFFAOYSA-N 427.468 2.000 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NCc2ccccc2)CC1 1740695174 HOUBTYIVHDRHAS-UHFFFAOYSA-N 430.516 1.197 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)CC1 1740696333 RHICFZAEGVDNFQ-HOTGVXAUSA-N 427.521 1.371 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCc2cnn(C)n2)CC1 1740699352 CKLQRYFVGHOHBD-UHFFFAOYSA-N 448.575 1.990 30 10 IDEE C=CCSCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1741004409 AAGDPBVHVWNHPS-CRAIPNDOSA-N 430.596 1.473 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)COCCO1 1742015269 BEMAHLTYAOIDIL-QFIPXVFZSA-N 425.537 1.974 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCCO2)n1 1742712519 FATFNCMGTBNPBX-RTBURBONSA-N 429.525 1.454 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCN(CC)CC1 1744646043 MGEQYSSPDXLYHX-UHFFFAOYSA-N 438.580 1.793 30 10 IDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748716567 YKWGDTVPHAAVBJ-GOSISDBHSA-N 430.553 1.496 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1748752397 WIKZLDVRIFOAEZ-CVEARBPZSA-N 448.549 1.678 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1748815495 QUBYNRTUVSRANA-GJZGRUSLSA-N 436.563 1.355 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1748817714 OVSJLOCBXZXQSL-MSOLQXFVSA-N 432.521 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1748851220 AAGYKTBKIQMVBM-UHFFFAOYSA-N 436.907 1.412 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCSC2)CC1 1749000566 XVSCIIHGXNGFJE-OAQYLSRUSA-N 431.537 1.619 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCNC(=O)C2CCC2)CC1 1749015816 OMRQOTOPORDWAI-UHFFFAOYSA-N 426.565 1.503 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749268513 BZHFVIUJZRNCKC-CVEARBPZSA-N 432.974 1.955 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749352760 VQUFDTLXTXJZAF-UHFFFAOYSA-N 428.541 1.605 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749402791 SLSWPMWANZYDGL-HNNXBMFYSA-N 445.611 1.055 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749663912 BICUUNXCYNVZTP-UHFFFAOYSA-N 449.490 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749738745 WMTYITNEXXPUBL-KRWDZBQOSA-N 447.561 1.167 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCc2ccccc21 1751231812 GZHPRXVBWASCAM-RYQLBKOJSA-N 444.561 1.737 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1751273060 NFCQGPFAEYRNIV-IVZQSRNASA-N 436.520 1.970 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1760101876 CCLXCQDEGYHBON-HNNXBMFYSA-N 443.504 1.288 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760294812 HBMDEUTVTPDSEO-JPAWQOSXSA-N 449.621 1.672 30 10 IDEE C=C(Cl)Cn1c(COCC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760386647 FGWBVXWGBJQELG-SFHVURJKSA-N 426.993 1.798 30 10 IDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760438968 SOBVOZZOTTXDAV-GOSISDBHSA-N 425.537 1.959 30 10 IDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760449640 PQTVXUQAPOOZDS-UHFFFAOYSA-N 449.581 1.301 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 1760525870 VBDFONCIQICKAS-UHFFFAOYSA-N 431.566 1.289 30 10 IDEE CC[C@@H]1CCCCN1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1763335915 FADUYHIJQXEDIN-NMLBUPMWSA-N 432.569 1.995 30 10 IDEE CCC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1763875458 ACKNRVJQDRQSIO-OKZBNKHCSA-N 440.552 1.974 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1770217480 NWZVNZAXEZRGGA-YRPNKDGESA-N 448.568 1.088 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1770316466 IFXXVEXLBUEIMF-IBGZPJMESA-N 447.561 1.905 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1771050568 SQUUTDOCLHTYCC-SFHVURJKSA-N 437.504 1.620 30 10 IDEE C=CCN1C[C@@H](C(=O)OCCn2ncc3c(=O)n(Cc4cc(C)ccc4C)cnc32)CC1=O 1848723363 SBEKYXHYGHKYDM-IBGZPJMESA-N 449.511 1.836 30 10 IDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@@H]1CCn2cnnc2C1 1849694600 ZZMNNQQKXVOKJR-UXHICEINSA-N 426.517 1.892 30 10 IDEE C=CCN(Cc1cnnn1C)C(=O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1 1853439576 ZKQXBYIPLSGGJI-UHFFFAOYSA-N 438.511 1.962 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)cc1C 1853853439 SJINVCLGZUNMPV-UHFFFAOYSA-N 427.482 1.857 30 10 IDEE CCOC(=O)CN(C)C(=O)[C@H](CC)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868795946 PDXUDSAFKVWLSU-IRXDYDNUSA-N 434.562 1.941 30 10 IDEE CN1CCN(C(=O)[C@H](Cc2ccc(F)cc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929598 JNTATFNRIYSMJO-SFHVURJKSA-N 430.505 1.250 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869932281 ZAYMKGMWGRNGFK-MSOLQXFVSA-N 430.530 1.628 30 10 IDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518226 VKBKLEJGDBXTPJ-UHFFFAOYSA-N 434.464 1.082 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2c(C(=O)O)[nH]c3ccc(OC)cc23)c1=O 1873494675 FEFFDAOHMAUQDM-UFWORHAWSA-N 431.430 1.103 30 10 IDEE N#Cc1cc(I)c([C@H](O)C(=O)O)cc1I 2060282862 UWKPZRYRIAKYSW-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2085301891 WMGPAPAUWYNKNU-CTASWTNQSA-N 437.346 1.696 30 10 IDEE Cn1ncc(Br)c1S(=O)(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2107462892 DFEWHBSWYGGSQY-IAZYJMLFSA-N 432.149 1.895 30 10 IDEE C#CCn1ncc(NCC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2238474202 CTZYUFALKMIEHD-GOSISDBHSA-N 441.326 1.813 30 10 IDEE CCN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2255692619 CAALLYVRWYWFRO-UHFFFAOYSA-N 437.350 1.443 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705990 CCUHQWQCDSVLKY-CVEARBPZSA-N 435.330 1.414 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255880116 ZUWCQEKYOQVPSQ-IAGOWNOFSA-N 432.326 1.696 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2256622598 JKXKQXQUSSHTHU-KRWDZBQOSA-N 432.326 1.761 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 2267181512 TUARRDCDTLHWNN-JKSUJKDBSA-N 447.341 1.399 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264314 PXBIWGBQTVHACG-WMZOPIPTSA-N 439.369 1.755 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 2267264494 RYXHJGCHBGATCX-UHFFFAOYSA-N 449.361 1.680 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267542640 VADAHNSDSIKNDM-LRTDBIEQSA-N 447.345 1.244 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@]3(O)CCSC3)cc2Cl)OC1(C)C 2282842888 FDZCMTBCWSARRX-HNNXBMFYSA-N 439.817 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2311711655 WRKMFCQOLGWAEG-KLHDSHLOSA-N 440.346 1.412 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2312976196 ROCSMMKTPUHGKT-BZUAXINKSA-N 438.330 1.118 30 10 IDEE COc1ccc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2317456865 AMLYXXKAQAFAEP-HNNXBMFYSA-N 436.314 1.819 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1 96351077 GUPGYXOQVDZOEB-UHFFFAOYSA-N 426.498 1.248 30 10 IDEE COc1ccc(CCN2C(=NC(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 254500884 MVVZHBNGUZMTNL-RHSMWYFYSA-N 426.560 1.999 30 10 IDEE CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 448035610 RJWFIXUADBKLIA-IBGZPJMESA-N 433.578 1.695 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)CC1 467852961 RBTAQUFMXQQBEL-SRABZTEZSA-N 443.447 1.747 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)o1 478749788 XBJCPHRZCXOOSI-CRAIPNDOSA-N 442.537 1.743 30 10 IDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCCC1 486631306 WUAKOVVTRCVDKE-UHFFFAOYSA-N 435.532 1.695 30 10 IDEE CN1C(=O)N(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(=O)C12CCCCC2 504144936 PKVGQZRFIFZLBR-GOSISDBHSA-N 437.500 1.767 30 10 IDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 505408227 JNCWYVNSDYJUAH-MRXNPFEDSA-N 435.532 1.531 30 10 IDEE Cn1nccc1CN(CC(=O)NC1(C#N)CCCCC1)CC(=O)NC1(C#N)CCCCC1 507425288 VMWPYLFYNBLFMR-UHFFFAOYSA-N 439.564 1.907 30 10 IDEE N#Cc1ccc(OC2CCC(NS(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)CC2)nc1 507934544 HMZNFDHXFSOLSG-UHFFFAOYSA-N 447.538 1.952 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 509016448 ZXRYVCDZRBVLFP-QZTJIDSGSA-N 438.598 1.109 30 10 IDEE CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 510447985 NRIWEDWZGXIUNY-UHFFFAOYSA-N 436.353 1.271 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 514078321 JNSHPFOEGPBASM-QXAKKESOSA-N 430.530 1.532 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 515687084 BZHWTWVSWOBYGO-UHFFFAOYSA-N 447.507 1.248 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)CC1 522319037 DGCCACJGWJPWLZ-UHFFFAOYSA-N 427.549 1.945 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 522567237 OZVYPQNFTHADHT-OAQYLSRUSA-N 436.516 1.607 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1C[C@@H]1CCCO1 533361608 JYNFNCVTZVDFKX-SFHVURJKSA-N 446.532 1.400 30 10 IDEE Cc1cccc(NC(=O)[C@@H]2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)n1 538147069 DMVORIKRXHWZNA-WOJBJXKFSA-N 426.565 1.733 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)CC2)n1 544866929 XMGMMUYJUVXENB-UHFFFAOYSA-N 428.452 1.239 30 10 IDEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546926970 RLQNNIJAXPWZRV-OAHLLOKOSA-N 428.518 1.454 30 10 IDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(F)(F)F 553913554 MVBBMHZFKFAVSX-MRXNPFEDSA-N 448.467 1.933 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 570808733 YAUFMSCZGWSUBF-QGZVFWFLSA-N 439.520 1.577 30 10 IDEE COc1ccc(CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cc1F 586863573 SSMRBVNJTPPJRW-UHFFFAOYSA-N 428.439 1.806 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)cc1 603933746 OVJRKBLBKXLTCS-UHFFFAOYSA-N 440.510 1.618 30 10 IDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670227560 PRXLEXYJCNTJPG-UHFFFAOYSA-N 434.566 1.404 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)CC1 731962978 XOTILGVQSLJCRJ-UHFFFAOYSA-N 428.514 1.706 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CCN1C1CC1 733854447 RQSFHIYCORNMIP-FQEVSTJZSA-N 444.495 1.422 30 10 IDEE CCN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)OC)c3ccc(C#N)cc3)cc2S1(=O)=O 740224536 ALKGHLDBZMAJBR-QGZVFWFLSA-N 428.422 1.794 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)c1 749322946 HWHBJFRCRPYNKX-UHFFFAOYSA-N 425.246 1.775 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 757148758 BEYGOJBATJXDLG-LBPRGKRZSA-N 439.419 1.993 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765145793 SOUJZFKPHSFSJC-UHFFFAOYSA-N 433.493 1.712 30 10 IDEE C#CCN(C(=O)NCc1ccc(OCCOc2ccccc2)nc1)[C@H]1CCS(=O)(=O)C1 774172214 NFKZZMZNTXMGPZ-IBGZPJMESA-N 443.525 1.871 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 783351227 WMZMLUBEQWTKJN-UHFFFAOYSA-N 430.408 1.547 30 10 IDEE Cc1cc(NC(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)n(C)n1 802694077 DCLDGWJTECIAPN-UHFFFAOYSA-N 429.380 1.994 30 10 IDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1131608191 XHICSVAPLPZNLK-UHFFFAOYSA-N 436.530 1.372 30 10 IDEE Cc1cnc(OC2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1144167395 WVHMUAWTALUDSK-UHFFFAOYSA-N 443.529 1.674 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(OCC)cc3)nc2C)CC1 1152968076 YCZLTTGGPIRCDB-UHFFFAOYSA-N 448.570 1.743 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286325421 XXNWSLQZWUCWQI-GHTZIAJQSA-N 435.594 1.285 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286340257 WGVKHCLLLXFYIB-OAQYLSRUSA-N 443.529 1.793 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286386711 GIAPHGQLHBLLSJ-ZWKOTPCHSA-N 430.578 1.252 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286445541 MXWYHBUETSQPTM-QYZOEREBSA-N 429.544 1.978 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccnc(SC)c2)CC1 1286470475 ZXJDKNSKRAKAFW-UHFFFAOYSA-N 448.556 1.846 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286492241 FMWRIKPAENZRBP-MRXNPFEDSA-N 435.594 1.267 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)C 1286563076 NZTMNBZEQDKODH-UMGGQSCQSA-N 435.569 1.944 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC2CC2)CC1 1286645310 BBCMZQFKWRHFOE-INIZCTEOSA-N 428.580 1.161 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286783648 XVHVNSVYDUNSOW-LJQANCHMSA-N 437.548 1.850 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccoc2CC(C)(C)C1 1286787211 COJOLAMGLRFQPW-MRXNPFEDSA-N 447.561 1.664 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1286816335 HOVPWWNMIPRMKF-GOSISDBHSA-N 431.562 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1286821122 AVISAYALIYYGCM-FQEVSTJZSA-N 445.589 1.883 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)C1 1288974053 AXNKNHDHUWUYNX-HXUWFJFHSA-N 434.566 1.469 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)CC1 1298016979 GIKXOBQHBYKKBQ-UHFFFAOYSA-N 437.548 1.739 30 10 IDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2cnccc2C#N)CC1 1298660208 JPRMWNIUICPFJJ-UHFFFAOYSA-N 425.493 1.674 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)cc1 1300295938 HAQCKAPLXBNZJL-IBGZPJMESA-N 444.561 1.643 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300364489 KTDXNTPPCFAYDQ-LJQANCHMSA-N 439.564 1.965 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1300760386 AEAILKUIJAODMB-OKZBNKHCSA-N 435.594 1.516 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(C(N)=O)C1 1300876727 VAPKDHKDKLHMCB-ZWWNWMABSA-N 432.569 1.879 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC)C1 1300877131 WGFKQILMFPJPGH-TVFCKZIOSA-N 441.598 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300885973 UOVJZAJKIDZCHI-ZJOUEHCJSA-N 446.596 1.711 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1)C(C)C 1301367918 VXZXHCSQEZMOBQ-LJQANCHMSA-N 448.637 1.781 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1301370801 JSPHQOWNRIVRSN-QFIPXVFZSA-N 446.621 1.900 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301427010 YLIMJZZBCGYGQM-HXUWFJFHSA-N 438.525 1.196 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1301502037 BAWOTCHPQQSBOL-IAGOWNOFSA-N 434.585 1.536 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301502393 HETPRGBUIGOYIY-OAQYLSRUSA-N 430.459 1.166 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCc1ccccc1 1302311654 OKJQOSIMOSXEMU-UFYCRDLUSA-N 427.505 1.948 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CC1 1303318892 FUOHFYLFMOCKGF-UHFFFAOYSA-N 449.437 1.552 30 10 IDEE C=CCC1(O)CCN(C(=O)CNC(=O)c2ccccc2I)CC1 1303787974 KJMRDNIGJORRGL-UHFFFAOYSA-N 428.270 1.951 30 10 IDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC[C@H]1CNS(C)(=O)=O 1307977528 ZBEMZBHHHCUGCG-LSDHHAIUSA-N 426.564 1.269 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OCC 1309507533 KWTACMSZBPGSLP-OAHLLOKOSA-N 430.548 1.647 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1358891607 JVWVFCJKMWVKRQ-IAGOWNOFSA-N 437.541 1.443 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1358892514 AWEUIUZITVMITD-PGRDOPGGSA-N 426.590 1.930 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358955520 NNKSWXFPPSWUNU-IBGZPJMESA-N 443.573 1.735 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1358958271 KNJBAVKDFWHBAE-LJQANCHMSA-N 427.530 1.606 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358965189 POXNDFPCGMGZKH-OALUTQOASA-N 445.589 1.952 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1358969906 ZNBSLDJFTPANRL-LJQANCHMSA-N 443.573 1.999 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCNS(C)(=O)=O 1359232886 JGICKGUBOMCHEN-UHFFFAOYSA-N 431.360 1.608 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359300750 JIZHQSXWSGQPQS-INIZCTEOSA-N 431.566 1.171 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1359304911 NIRZFBYQLKEWHJ-KRWDZBQOSA-N 441.536 1.675 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1359306088 VPTYJAWGONFWNO-ZRGWGRIASA-N 427.496 1.960 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@@]1(OC(C)C)CCOC1 1359306106 WALMDZXWWJIXBX-HRAATJIYSA-N 444.540 1.091 30 10 IDEE CC(C)(C)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1359525279 YDABOXWOMZQUDQ-HNQLTLBLSA-N 444.536 1.907 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359865035 VDBIITOZQVDJHH-HZPDHXFCSA-N 430.475 1.859 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1360218566 IAMZDQYHPHFFKC-NRFANRHFSA-N 431.585 1.782 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 1436179417 MKWLTJFNTSUSSI-HXUWFJFHSA-N 430.486 1.482 30 10 IDEE C#CCn1cc(CNC(=O)c2cc(I)ccc2-n2cnnn2)cn1 1448875883 PLOLFVDQNONMAB-UHFFFAOYSA-N 433.213 1.027 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)cc1I 1449736931 GMCAMNQXOQJOTD-GFCCVEGCSA-N 446.289 1.948 30 10 IDEE C#CC[C@]1(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)CCCN1C(=O)OC(C)(C)C 1451173629 YIHSDSITUUUAPE-GQIGUUNPSA-N 426.535 1.194 30 10 IDEE CC(C)(C)OC(=O)COCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1452956477 JFLZARIQVPFHTL-UHFFFAOYSA-N 425.489 1.955 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)c1ccc(Cl)c(Cl)c1 1453887255 HKMGJVFJQOSVTM-CQSZACIVSA-N 428.297 1.882 30 10 IDEE Cn1cc(I)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)n1 1454879164 UTDHKNMJAVIYGB-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE N#Cc1cn(CC(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c(=O)nc1O 1466967114 HYPGUUMLHGGDAG-CQSZACIVSA-N 437.225 1.322 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1470354399 VFSYEBTYMZGUGM-UHFFFAOYSA-N 447.388 1.964 30 10 IDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOCCN2C(=O)c3ccccc3C2=O)C1=O 1472907394 BXZANRTZMSJEHY-HSZRJFAPSA-N 432.436 1.638 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CC(=O)NCC(F)F)c1 1505313769 GEFRJYGSKOSYIN-FQEVSTJZSA-N 429.431 1.057 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1507678624 AVJVVVDYMNQQDE-DLBZAZTESA-N 434.566 1.778 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1507711561 WYXVKPJQVPAXES-MRXNPFEDSA-N 434.518 1.029 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC(=O)N(CCOC)C1 1507760327 XQWPAERTJGDTJL-UZUQRXQVSA-N 444.580 1.684 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1510199873 QOKYSARUPJXBLE-YRNRMSPPSA-N 446.581 1.477 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CCO1 1518942198 MAGNVOYPYOMJAP-PMACEKPBSA-N 425.489 1.925 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1518957296 CUKNIILCPZDOKG-QHCPKHFHSA-N 448.531 1.721 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCO[C@@](C)(C#N)C2)C1=O 1536619648 RISUYTLZUJHVLY-ROUUACIJSA-N 435.278 1.357 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2nc3n(c2C#N)CCOC3)C1=O 1537678706 FZJHZHMQJSAYJR-NRFANRHFSA-N 438.444 1.008 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539022817 LMDOMTSQWNCPEL-HNNXBMFYSA-N 436.541 1.652 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539230723 PRFIFAWRMBOMQC-KRWDZBQOSA-N 433.578 1.463 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1539251405 FRBOZYFPBQWVBE-UHFFFAOYSA-N 433.472 1.188 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539264162 WSCSWFUOEJFNHQ-ZCNNSNEGSA-N 445.589 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ncnn2C(C)(C)C)CC1 1539489857 PQHYNBXUOIZWSP-UHFFFAOYSA-N 428.541 1.175 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1539520096 MZWDYVDWRSKWEF-UHFFFAOYSA-N 432.575 1.364 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539998281 DZFNGONYYUZYEV-MRXNPFEDSA-N 426.525 1.711 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1540046969 CGYQYGWVSKIPPD-AWEZNQCLSA-N 441.579 1.103 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 1540071939 IUDLQRXLWLEMPQ-INIZCTEOSA-N 428.555 1.015 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2[C@H]1C 1540862498 CJJKOUBXAGMUSM-HUUCEWRRSA-N 432.550 1.314 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540905786 ZQYKUNZHIZXUEW-LJQANCHMSA-N 446.577 1.169 30 10 IDEE CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1552399730 MJNOFTMZXXEOJD-SFHVURJKSA-N 432.550 1.619 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(C#N)n1 1556514960 GGKOHZFTBBWBFE-QGZVFWFLSA-N 427.509 1.291 30 10 IDEE CC1(C)C(=O)N[C@@H]1C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1559861236 CUUTUMCREBDMDY-YLJYHZDGSA-N 429.590 1.694 30 10 IDEE C=CCc1cc(CNC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc(OC)c1OC 1563814566 GASIBLUSQZPMAH-HSZRJFAPSA-N 447.532 1.592 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CCO2 1565340681 NOSGXYSJUIOBNU-KHQOZGCUSA-N 428.493 1.069 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)cc1 1583058931 OUMZHNGAWWMWNV-UHFFFAOYSA-N 426.498 1.782 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1587562115 LKKZLYVIKMOTTI-HUUCEWRRSA-N 433.534 1.556 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1587765466 GXUPJKZUDRYYLP-ZWKOTPCHSA-N 435.594 1.869 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)n1 1588638752 WSIOVBUFRWBAIU-FQEVSTJZSA-N 440.548 1.886 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2=CCCOC2)n1 1588722780 FKQJTRIUWUOAFJ-UHFFFAOYSA-N 434.504 1.565 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1589171910 UGWHCOWEZAFXDS-UXHICEINSA-N 445.501 1.395 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1594857958 URLLGORFLFHTAV-QGZVFWFLSA-N 432.594 1.959 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1594962630 MZJLELGLPDVCJL-XFQAVAEZSA-N 437.541 1.749 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1 1611633421 FMQFJCYVVOXKFZ-MRXNPFEDSA-N 427.534 1.973 30 10 IDEE CC1(C)CCO[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1611791151 XDHOWQLCRMEFHK-SJLPKXTDSA-N 445.545 1.892 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1615213271 IBAQDEBTCZVRTB-IBGZPJMESA-N 439.545 1.806 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1616144964 FIJCZOWCZGPZJQ-PKTZIBPZSA-N 438.532 1.917 30 10 IDEE COC[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619583420 GBVLJLLVJNGNLT-FGTMMUONSA-N 440.552 1.831 30 10 IDEE C=CCC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1623969942 XHKASPVLEFYLQP-CQSZACIVSA-N 447.351 1.527 30 10 IDEE CNS(=O)(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1628681889 CRFXSANHDMWOLQ-RDYUPDBUSA-N 440.566 1.313 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1B1OC(C)(C)C(C)(C)O1 1628739777 BNWYXTJVQMIIRR-QRQCRPRQSA-N 427.310 1.402 30 10 IDEE COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 1629426369 BHCJKFCGNDPAFE-UGSOOPFHSA-N 431.470 1.264 30 10 IDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OC(C)(C)C 1632236430 OJINLWMRNFGTPI-UHFFFAOYSA-N 437.518 1.986 30 10 IDEE CN(C)S(=O)(=O)NCCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1635484633 LWTWYDCRIAOUNH-UHFFFAOYSA-N 433.509 1.805 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCOCC1 1636512960 XIHLZZUXSJEPGY-ZRGWGRIASA-N 441.550 1.093 30 10 IDEE C[C@H](CC(=O)N1CCCC[C@H]1C(=O)NCC(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1636841203 CBDLGWUYNBTFAC-OCCSQVGLSA-N 442.488 1.266 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCSC[C@H]1c1cnn(C)c1 1639585672 JJTDUBFUTULERG-KSSFIOAISA-N 433.559 1.665 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1639840612 PCJMGZJEJABRTC-CHWSQXEVSA-N 449.392 1.944 30 10 IDEE Cn1c(N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c(C#N)c(=O)n(C)c1=O 1643149316 KTZWGUVGFOPHBE-CMPLNLGQSA-N 431.415 1.095 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc1)C2 1648291525 JNKZWNYUGVWTHL-AWEZNQCLSA-N 446.554 1.858 30 10 IDEE C#CCN(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)C1CC1 1654481500 RXMSJLCHPZZBPU-WOJGMQOQSA-N 443.550 1.830 30 10 IDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC(Nc3ccccc3C#N)CC1)C2=O 1655207979 DHWFORSEESFKKD-UHFFFAOYSA-N 438.532 1.966 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C(=O)OC 1663796310 GFMBIGKHONLCON-ZDUSSCGKSA-N 429.292 1.201 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 1671494565 AJKVGQIORKELAF-XMTFNYHQSA-N 433.553 1.688 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2=O)cc1 1672353469 QKPMFTZEDCEBPO-FCHUYYIVSA-N 448.527 1.254 30 10 IDEE C=C[C@@H](C)ONC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1683556592 RUROVXOZMUUPPD-CQSZACIVSA-N 427.523 1.910 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1689841613 KONRXVSNSNTTNJ-HNNXBMFYSA-N 427.505 1.702 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689989772 IOWIYKAOVBBXLB-ROUUACIJSA-N 432.550 1.411 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689993786 LNTLNOLUKHXMFA-QGZVFWFLSA-N 442.570 1.704 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1690001985 WQOIOYUPTLIANP-AZUAARDMSA-N 446.621 1.758 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690326769 CXKFGWNNTZWXKC-CQSZACIVSA-N 433.962 1.199 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CS(C)(=O)=O)CC2)CC1 1690397042 UEWXDBFRDVFCSH-AWEZNQCLSA-N 445.611 1.116 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1690655425 UIUXPPAEBPYCGC-HKUYNNGSSA-N 427.505 1.856 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690666852 IPVNSHJSNYKGNK-SFHVURJKSA-N 442.545 1.522 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCC=C)C1 1690672344 PBEIHSUFRVDMJY-VQIMIIECSA-N 425.489 1.874 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1690678829 BONJCOXCOXDLRR-HXUWFJFHSA-N 434.500 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1690722881 ZAEZEKJNTDKHOA-OAHLLOKOSA-N 442.545 1.694 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1690947898 IRMNVUUCISMSPK-HSZRJFAPSA-N 435.532 1.648 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1692672818 GULHQPZFEHREIT-BTYIYWSLSA-N 428.493 1.234 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1695435212 GVJLGRFDBSQGLA-LJQANCHMSA-N 435.532 1.934 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698486716 QDBBNTAESWKYRY-CILBIJLJSA-N 436.451 1.232 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705508079 JAECSZNGSSSEJE-MRXNPFEDSA-N 445.549 1.247 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1705514705 GNTDUCYIJZTUNI-MRXNPFEDSA-N 443.577 1.743 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705532357 MMJMRNWFUJADAA-VQTJNVASSA-N 428.581 1.718 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cc(OC)ccc1OC 1705552399 YKRKRPLRMOJFKX-QGZVFWFLSA-N 432.546 1.900 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 1705561131 NPTBFRAXRMSEAO-HNNXBMFYSA-N 443.451 1.598 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1705563051 PUFHPBLUFYFCPM-HKUYNNGSSA-N 430.530 1.759 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1705571008 WFCLJYJAOGZETR-QGZVFWFLSA-N 431.543 1.902 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1705573909 QIDJMNIDVFVGIY-RDJZCZTQSA-N 438.463 1.618 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCOC2)n1 1705631654 LSGATANIUVHATM-KNQAVFIVSA-N 444.536 1.154 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1 1705743560 AUAGSMNSHKKFIF-KRWDZBQOSA-N 431.562 1.983 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C)C1CC1 1705849507 OGRUKEZNQJWUBO-AWEZNQCLSA-N 442.586 1.910 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705899559 XKLDWPYNMROKEB-QHCPKHFHSA-N 446.515 1.604 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705900899 STSURBYUSBFNBT-GOSISDBHSA-N 447.547 1.846 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CCOCC2)CCOC1 1710484882 WNKQLGYZVCUAKX-SIKLNZKXSA-N 449.552 1.492 30 10 IDEE COCC1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712264596 BSMKKHZNQLNBPW-XUTLUUPISA-N 437.504 1.729 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncnn1CC(F)F 1722336862 QSEPTWWJNMNAQK-UHFFFAOYSA-N 432.435 1.912 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC(O)CC1 1722377181 RREFBVUZDQCQBP-UHFFFAOYSA-N 437.544 1.882 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C)C(C)(C)C1 1722383599 VAWLXTNEZZVWLD-UHFFFAOYSA-N 425.606 1.733 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)CC1 1722485814 XDNLHZAEASSHFN-AWEZNQCLSA-N 427.347 1.296 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1722518131 UXWHYRVPRQICGD-QZTJIDSGSA-N 440.614 1.498 30 10 IDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1722522375 MGFOVSSCZOVJEK-RTBURBONSA-N 434.585 1.759 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722692481 NPFDTYMJOFWGLQ-ICSRJNTNSA-N 432.569 1.323 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCN(CC)C(=O)C1 1722693717 YIMVLRHXQQWALF-UHFFFAOYSA-N 448.531 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722729238 YVFQTTWQFDMZHM-DLBZAZTESA-N 439.582 1.076 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1723074424 HYZWHFRORPEOBT-GOSISDBHSA-N 437.504 1.620 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNS(C)(=O)=O 1727005492 FIDXOBLHNLBWFT-KRWDZBQOSA-N 445.593 1.929 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)(C)O)CCOC1 1728819715 YCZBLURNWUJFAO-QFIPXVFZSA-N 441.536 1.294 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1730789763 ZMOVAGORDHSSTJ-LJQANCHMSA-N 437.548 1.500 30 10 IDEE CS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1 1731019635 AAGULOKEJABQRB-UHFFFAOYSA-N 442.549 1.196 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1740646048 PINVFLXGFPGRMR-QZTJIDSGSA-N 429.546 1.819 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1740656847 NRHYIAZZAUQGEO-IBGZPJMESA-N 440.569 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(C)C)CC1 1740701279 ATGREAWGAMFBSG-UHFFFAOYSA-N 447.547 1.933 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740880027 BGZNNRMBBHZHQB-OAHLLOKOSA-N 427.465 1.159 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1740937651 LHOSUUBDZMCKNV-IEBWSBKVSA-N 428.537 1.778 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1740967912 UJGCHGXHCWPOEV-HSZRJFAPSA-N 438.532 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740990886 IWCKHIFZSZUHIN-HUUCEWRRSA-N 425.555 1.081 30 10 IDEE CN(CCC1CC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747905292 HDGXTFJYTHCJDH-HTXNQAPBSA-N 427.509 1.277 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748803433 YPUUBPOTXDQPMA-QZTJIDSGSA-N 438.594 1.646 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748824243 MEONRKWTGSESSY-PKOBYXMFSA-N 448.520 1.952 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1748906866 ZECCOIIKEZMTHT-OAHLLOKOSA-N 442.549 1.285 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748959049 LZUWNFRNDWXVCS-QGZVFWFLSA-N 435.536 1.860 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ncc(CC)s2)CC1 1748988807 BSUHUWBFMGPXNL-INIZCTEOSA-N 448.618 1.197 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2OC)CC1 1749001201 LQFLMJVDXFDBBY-FPOVZHCZSA-N 425.533 1.814 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCN1CCCS1(=O)=O 1749061211 OXDBDJPSODLWRO-OAQYLSRUSA-N 429.546 1.981 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1750059825 CHEZOSNFAFCWCL-ZACQAIPSSA-N 439.630 1.995 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCS(C)(=O)=O 1760111728 RYYDJAWMHSMQFL-CQSZACIVSA-N 438.579 1.131 30 10 IDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1760151697 LFRKMIKMYLMJOV-UHFFFAOYSA-N 436.520 1.754 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1760232756 DEDQXWRPQPZMFK-SFHVURJKSA-N 429.546 1.378 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1760248694 COQWZESKTYIGDI-GOSISDBHSA-N 446.529 1.454 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCO2)n1 1760253489 ZWLHUCQWCUKNBH-OALUTQOASA-N 441.536 1.281 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760283427 MLOOZHQBXIAEKQ-UHFFFAOYSA-N 426.571 1.953 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1760313000 HNVJKCFRBKBTFA-UYAOXDASSA-N 444.580 1.942 30 10 IDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760391168 ZKWKMZTUJZNYEE-UHFFFAOYSA-N 448.618 1.799 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760433259 QUSWCOSXBJOMOV-IAGOWNOFSA-N 426.587 1.013 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1760433899 WYBOSOAEYOIMRD-INIZCTEOSA-N 434.566 1.887 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1760526023 AMEZSGWCCVQXJM-NRFANRHFSA-N 449.559 1.890 30 10 IDEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1762909461 ALTWHCJBNLHXEX-QAPCUYQASA-N 437.504 1.953 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCOCC1 1764188759 WBOZFDSYHRVDDU-SFHVURJKSA-N 433.557 1.038 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1767230735 BXALYDVMOIGENN-QGZVFWFLSA-N 434.504 1.833 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1767882626 UUOBSHFLEZKYLS-GOSISDBHSA-N 440.504 1.644 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1769123394 AGWQDNPQZNVHCD-PCCBWWKXSA-N 438.532 1.973 30 10 IDEE COc1ccc(COCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1770244677 XQWOISDBBVOGGF-IBGZPJMESA-N 442.520 1.761 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CCC[C@H](O)C2)cc1 1770740380 FLLRHAQMEUXQQG-ROUUACIJSA-N 429.546 1.849 30 10 IDEE COC[C@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1770783536 ZXYXSRQEOFOZEA-GOSISDBHSA-N 441.511 1.697 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1771152590 IEAOUETZOOWPQP-QFBILLFUSA-N 438.532 1.709 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1771295708 ZKUFEHWWGKGWCO-XGHQBKJUSA-N 430.484 1.500 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772794530 OJQGHLVDMSLTOU-LBPRGKRZSA-N 438.458 1.023 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)cc1 1853405143 BAXMUIMMYVJQQG-UHFFFAOYSA-N 434.500 1.991 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CCC[C@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1855028546 AGAPNEBTKVYCBO-APWZRJJASA-N 425.595 1.995 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](CN(C)CCC#N)CC2=O)c1 1855746017 ROJLOTCROBPCGA-IEBWSBKVSA-N 432.546 1.369 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1=O 1856792831 XOOBOIPZYIFMCN-ZBFHGGJFSA-N 428.894 1.363 30 10 IDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3nccc(Cl)c3F)C2=O)CC1 1857067225 XDDYNPMNTGXSJL-OAHLLOKOSA-N 428.855 1.704 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)CC(F)(F)F)C3)CC2)CC1 1857127621 UCTJOMVSRFBLMB-OAHLLOKOSA-N 428.455 1.788 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCO3)C1 1858334353 GNVHUAQEAYCNOO-CQSZACIVSA-N 435.483 1.028 30 10 IDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1861520966 UWYKPEDBEWOINL-VQIMIIECSA-N 425.485 1.493 30 10 IDEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCNC=O)C2=O)cc1OC 1863165172 SWCFESACFMIXPH-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2ccc(OC(=O)c3ccco3)cc2)c1=O 1873495126 MTBICLYLEXSNQX-RGVLZGJSSA-N 428.426 1.727 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1993945233 KRAIMJWSJJKAIT-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE COCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 2053508649 DBJNDDXJXGGRMI-UHFFFAOYSA-N 447.586 1.165 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141669743 HAXNRCFFATWWBS-INIZCTEOSA-N 446.357 1.870 30 10 IDEE CC1(C)OB(c2scnc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2247906834 QXIYSASGIOKAJR-VHSXEESVSA-N 431.245 1.430 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247918742 MZEIDPBOYGEMJT-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1COCCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247963132 UGPZUUJYCLGCRZ-OAHLLOKOSA-N 446.375 1.729 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248444766 DCKBEGBNEKWBCH-CYBMUJFWSA-N 441.359 1.334 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255609584 IKAZSODKMRBTLT-CQSZACIVSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]21 2255632233 KMVAQRQTLKKVOL-IVMMDQJWSA-N 432.330 1.837 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2255654184 SVDWRMCSNBXXAQ-UONOGXRCSA-N 434.346 1.610 30 10 IDEE Cn1ncc(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824972 ROUPXGLVQXMOGR-HIFRSBDPSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2CC2)C1 2255827203 HLZSWZCROSKFRV-UHFFFAOYSA-N 432.330 1.933 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)nc2)OC1(C)C 2256928272 JMIMOCKVVLAGHK-INIZCTEOSA-N 427.266 1.176 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267008693 IKMICVXZJRRBCH-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2267290265 AMMGJFPJQBAWPD-UHFFFAOYSA-N 449.357 1.806 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267495042 XDIFCZBXAXDEDR-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267507456 OMJPQFVERZJCHJ-CWRNSKLLSA-N 446.357 1.705 30 10 IDEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267537752 RFQBICRKSXJYPB-CQSZACIVSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267561161 MAQXFRMBPWGYIV-NRFANRHFSA-N 449.313 1.508 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267596294 MTFUTBSGIBXXQQ-RHSMWYFYSA-N 447.341 1.650 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267882255 PUNZAGQXSNJPNG-VXGBXAGGSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](O)C1 2268671259 KNPVKCSGGAUZRA-LSDHHAIUSA-N 447.341 1.937 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2272631871 BGXDMKZVQACNKE-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE COc1[nH]c(=NC[C@@H](CNC(=O)OC(C)(C)C)OC)ccc1B1OC(C)(C)C(C)(C)O1 2317604072 XCJNWQGFTRTGJS-AWEZNQCLSA-N 437.346 1.763 30 10 IDEE Cc1c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(N2CCOCC2)n(C)c(=O)c1C#N 33811844 PRXHJIINMHZEPO-NTEUORMPSA-N 448.526 1.078 30 10 IDEE COc1ccccc1C(=O)NC(=O)COC(=O)CO/N=C(/C)c1ccc2c(c1)OCO2 59475815 JLECDMSBDKEEBX-QRVIBDJDSA-N 428.397 1.664 30 10 IDEE CCOC(=O)CSc1nnc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)s1 104556318 OFQGFRDWCCFXQK-UHFFFAOYSA-N 435.516 1.645 30 10 IDEE N#CCCn1cc(/C=C/C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 104900593 ZKTOQUOGRIUTHH-GHOSXJJBSA-N 426.542 1.899 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 109361828 MZTWVVAHDSAPJI-QHCPKHFHSA-N 444.491 1.541 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440390034 YBZYNXVBOUUEHG-MRXNPFEDSA-N 447.476 1.090 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(S(C)(=O)=O)c2ccccc2C1 460569287 BRPIVUFZAMGLCH-GOSISDBHSA-N 433.534 1.728 30 10 IDEE Cc1ccc2nc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[nH]c2c1 466773135 CSMPZTHNLPBRNE-UHFFFAOYSA-N 438.513 1.959 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C 467836976 VGPOGHFPMFYBJI-TWOQFEAHSA-N 440.525 1.531 30 10 IDEE C=CCCCNC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 468391214 BZIKIKHLXKIHSC-IBGZPJMESA-N 437.562 1.544 30 10 IDEE N#CC1(CS(=O)(=O)N2CCCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)CCCC1 498875216 TWJPCNCUKQCMLK-UHFFFAOYSA-N 442.607 1.822 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 504357027 GCDHALGKGWRDDI-UHFFFAOYSA-N 443.525 1.942 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@H]1CCCO1 514492212 HOQQSMCCXCEHOT-FUHWJXTLSA-N 441.553 1.051 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1C[C@H]1CCCO1 514517038 VUTZYZBYSQOVCL-CYBMUJFWSA-N 438.336 1.645 30 10 IDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@@H]1CCS(=O)(=O)C1 533294354 VGYNPYQXWSLSFE-IRXDYDNUSA-N 448.589 1.723 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 564381267 MCEJQFOHOCHEKJ-UHFFFAOYSA-N 431.522 1.116 30 10 IDEE C#CCN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 729331457 NIQWAHOQLAACBC-SFHVURJKSA-N 444.582 1.945 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2ccccc2c1 730141010 YPEIGJSXABECHZ-GOSISDBHSA-N 441.557 1.585 30 10 IDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C1 732152617 FAABYCSIIHYYFW-RLBWVDARSA-N 446.529 1.363 30 10 IDEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732663808 HFHXKRSXAIGRLA-KRWDZBQOSA-N 425.518 1.358 30 10 IDEE CCOc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c([N+](=O)[O-])cc1OCC 732706967 SKGIDCZDGMUOBF-AWEZNQCLSA-N 431.449 1.529 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)cn1 735069624 WWYQXKZLAKRRFO-UHFFFAOYSA-N 444.520 1.159 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1=O 742127473 XXPFAMSDUQGKMQ-OAHLLOKOSA-N 430.461 1.345 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@@H]1CCCO1 743729176 XKCHMZARJATLLG-RDJZCZTQSA-N 444.557 1.050 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2ccc(C#N)cc2)[C@@H](C)O)cc1C 748217901 SXOGAHYIADAZCF-QRWLVFNGSA-N 430.482 1.629 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 753754569 VCWBVCKTIGWMCE-GOEBONIOSA-N 438.575 1.344 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](O)COc1ccccc1Br 766158992 HBJBJKCVXOVKBV-PFFGMESJSA-N 438.278 1.222 30 10 IDEE C#CCN1CCN(C(=O)CON=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 769842666 OQNTZTGGRVHCCL-UHFFFAOYSA-N 429.521 1.126 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 774078021 PVGFEMPDYRKOAJ-KKUMJFAQSA-N 437.518 1.073 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(F)cc(F)c1Br 785987253 GWVWOEYONUNYFL-YPKPFQOOSA-N 443.204 1.308 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 788815250 OANHJQKUECFWPY-IBGZPJMESA-N 444.557 1.592 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)n1 788855699 WNNUSPJIKQQSQR-FQEVSTJZSA-N 429.521 1.649 30 10 IDEE COc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(Cl)cc1C(=O)N(C)C 792985461 LQZFLQPEGOCLAB-AWEZNQCLSA-N 433.896 1.188 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 794578480 COLLRIGHMNHBLQ-KBPBESRZSA-N 431.539 1.044 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 804452134 CZGQSGNKUIUPLO-PLACYPQZSA-N 430.570 1.847 30 10 IDEE C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1(S(C)(=O)=O)CC1 804543675 VSVCDWXPEMCZOI-CQSZACIVSA-N 441.575 1.367 30 10 IDEE COC[C@@]1(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 804787377 HPIPKYJRPCVSQT-APOCOGJHSA-N 436.509 1.435 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 812177892 SGZJRSAUUBFRNP-OPAMFIHVSA-N 446.552 1.879 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3cscc3C#N)C2=O)cc1 814613730 ISDCKEQYJUIPDY-LJQANCHMSA-N 428.426 1.284 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)c(OC)c1 916178781 NGRDQZCBYQEZQQ-INIZCTEOSA-N 443.481 1.575 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCN3C3CCOCC3)C2=O)cc1 1134307674 QIFYVSVDGLOLRI-OALUTQOASA-N 425.489 1.133 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1141969220 VMNBOTRUWMYWLF-OWCLPIDISA-N 429.539 1.378 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)CC3(CCOCC3)C2)CC1 1175651276 LNOVKDOVELJEGH-SFTDATJTSA-N 430.524 1.398 30 10 IDEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1188221571 BBZJCIJBZXSHGT-DGCLKSJQSA-N 435.428 1.073 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)c(=O)n1CCO 1189977954 ZVDODMXOHMPVMY-SFHVURJKSA-N 430.480 1.615 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)CCc3cccc(C#N)c3)C2=O)cc1 1197113819 CUXKSBPYOOXBRG-HSZRJFAPSA-N 435.484 1.540 30 10 IDEE NS(=O)(=O)CCCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1252424816 KHMNYUMOOFJREI-RNFRBKRXSA-N 433.321 1.477 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)CC1 1254928558 VPSPBVPSVMPSAX-KOMQPUFPSA-N 439.559 1.743 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1286294218 CDOBWHBUPAVRHL-CZUORRHYSA-N 438.941 1.166 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1286294869 GAVKVLMYKOALMB-XHSDSOJGSA-N 427.571 1.130 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1286419922 IAJCBZYMUZLDMJ-HNNXBMFYSA-N 429.502 1.128 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286457799 WOMBEEKVUYXVID-KNQAVFIVSA-N 446.573 1.456 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286467962 XWOYXTUQMUIIFR-FCHUYYIVSA-N 439.560 1.769 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2oc(CC)nc2C)CC1 1286469330 DKLYJSYQBDYCNY-UHFFFAOYSA-N 434.504 1.588 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286476799 GABLGHXWJRNUSG-QGZVFWFLSA-N 442.568 1.689 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286490046 KBEHYGJPPFWTRE-INIZCTEOSA-N 444.561 1.064 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286508837 XRSMLTIBMJZYOX-HNNXBMFYSA-N 439.632 1.767 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286512018 HMISQZQEIYPTBN-RXVVDRJESA-N 435.594 1.790 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccc(O)cc2)CC1 1286780342 DSRAWOUQDSSJLV-UHFFFAOYSA-N 426.521 1.808 30 10 IDEE CN(C)C(=O)CCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297974320 TZDVDLXOIXAUSL-GOSISDBHSA-N 427.578 1.975 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1COCCO1 1300299289 NLSILFQODOFWJE-HZPDHXFCSA-N 432.550 1.502 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(S(C)(=O)=O)cc1 1300320601 GVWDZCWOLXREFP-INIZCTEOSA-N 445.545 1.341 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(CS(C)(=O)=O)cc1 1300479230 JVYSRMJJCLDPSN-OALUTQOASA-N 432.546 1.664 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1300603384 PZMSBUFNDIZSBE-OAQYLSRUSA-N 432.546 1.864 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300638605 SKOZWBOPAVVOOL-UHFFFAOYSA-N 436.509 1.395 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1300980521 JSCPDAOVSAZNPJ-QGZVFWFLSA-N 437.508 1.215 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301257654 CHNWLQBRPDVKBM-IKGGRYGDSA-N 437.566 1.020 30 10 IDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1301344044 WGVYKGLWWDSWPS-YZGWKJHDSA-N 427.505 1.741 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)C(=O)NCC2 1301413594 XRBFCHUFQGBMEI-UHFFFAOYSA-N 438.532 1.487 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301483208 KKHIPCXSKPDFNZ-HNNXBMFYSA-N 434.504 1.304 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1303409774 MAMKCDJAECSBOF-UHFFFAOYSA-N 441.536 1.478 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@@H]2CCCO2)c1 1303941779 LRIDOUQTUGXFTH-UHOSZYNNSA-N 434.514 1.171 30 10 IDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1312544694 WZJQUNKGYYSOOO-BFWZDYSYSA-N 431.493 1.392 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1316505368 OJFFEWUYCAJPFS-LZICOFPGSA-N 437.504 1.870 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1358927698 GYMIJMOWDXOYJC-MRXNPFEDSA-N 442.486 1.734 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)cc(C)cc2C)CC1 1359035752 CZFMRMVTVJYROG-HXUWFJFHSA-N 441.601 1.909 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C(C)C)N2CCCC2)CC1 1359040531 YVRSFWSMNYWUQW-BDTNDASRSA-N 444.624 1.878 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359300751 JIZHQSXWSGQPQS-MRXNPFEDSA-N 431.566 1.171 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCS(=O)CC1 1359327824 LOOTXBRDEKJJFN-UHFFFAOYSA-N 428.967 1.768 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCS[C@H](C)[C@@H]1C 1359334959 VWGLHXSYWOOAAE-LSDHHAIUSA-N 427.596 1.332 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCCC1(C)C 1360677491 DGJNJHLEHCJIML-QRWLVFNGSA-N 438.598 1.960 30 10 IDEE C[C@@H](C(=O)N1CC(=O)Nc2ccc(C#N)cc21)N1CCN(C(=O)OC(C)(C)C)CC1=O 1436603935 PWXMPDSOWNBAMJ-ZDUSSCGKSA-N 427.461 1.311 30 10 IDEE N#CCCN1CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 1454905594 GYQRMGSHFOUQHT-UHFFFAOYSA-N 436.253 1.804 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@H]32)n(Cc2ccco2)c1C 1460674214 KCSPGDDWDQOCPC-ICSRJNTNSA-N 425.489 1.536 30 10 IDEE C#C[C@@H](CO)NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 1468483907 TXXCXXMQARAVIZ-INIZCTEOSA-N 432.498 1.400 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)OC 1475240047 KKFPSSBCPDDFSK-SNVBAGLBSA-N 426.260 1.619 30 10 IDEE Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1492966983 FSKGBSVHBHXHGH-HYEKCJMVSA-N 431.497 1.216 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2ccnc2C)C1 1503872204 GIHQWMPOCDKZQC-GOSISDBHSA-N 435.488 1.933 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 1504888699 YZHXRWQWLPXYMT-INIZCTEOSA-N 438.529 1.599 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1505036198 WRWNZGNNDQMDHR-UXHICEINSA-N 443.504 1.386 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507575286 DUCPIINRZQYNPF-UHFFFAOYSA-N 426.546 1.996 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1507627584 DVMHKECMUKOZCF-KKSFZXQISA-N 432.546 1.741 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507650653 PPXSBVLOOJNFHF-FPOVZHCZSA-N 434.544 1.913 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507651346 MOUUYAAORCHLDX-LJQANCHMSA-N 430.487 1.820 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)s2)CC1 1507721806 MLIZAARPORHXEW-CYBMUJFWSA-N 442.998 1.407 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCn2cnnn2)CC1 1507727659 RULPPOIXAGYRKX-UHFFFAOYSA-N 435.536 1.306 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1507771462 AKIHFHQISIEROQ-DYESRHJHSA-N 427.530 1.320 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N1CCOCC1 1510029808 DDCIDCDDUUIWQB-IAGOWNOFSA-N 446.577 1.407 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C1CCC1 1518479419 JAQPYBIHYJKXDU-IBGZPJMESA-N 438.532 1.913 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1518642507 BBYSSYSEBFLWLD-BXTJHSDWSA-N 448.524 1.763 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1519529851 DYPVVKGCPKEDKQ-GOSISDBHSA-N 428.518 1.243 30 10 IDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1534418455 NCHHBPRTUDEINT-SFHVURJKSA-N 436.530 1.419 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1539004856 WGPPHLCWNSQCNF-QGZVFWFLSA-N 449.559 1.761 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539222081 SVNDSBXHSDTHEQ-RHSMWYFYSA-N 447.586 1.528 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539264158 WSCSWFUOEJFNHQ-VAMGGRTRSA-N 445.589 1.449 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CCC(=O)N1CCOCC1 1539391558 DSCDWKZONUHASJ-UHFFFAOYSA-N 429.496 1.842 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNS(=O)(=O)CC)CC1 1539453623 NJSLHYDRKIKWRC-UHFFFAOYSA-N 448.568 1.093 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@@H]2CCCO2)CC1 1539460066 URZLUVWKZMQSSV-NRFANRHFSA-N 441.580 1.481 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1539533461 QUKPAFSGVPQOLS-IEBWSBKVSA-N 449.621 1.858 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539751470 NWXWPLNDTDOVHZ-DLBZAZTESA-N 427.571 1.235 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539758751 TUPSGYCCUUBPAH-QFIPXVFZSA-N 432.569 1.294 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1540136535 IRBFZSFFLNBXBE-PGRDOPGGSA-N 428.512 1.628 30 10 IDEE C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1540857012 PTQHTYMMSRAPBN-UHFFFAOYSA-N 445.549 1.407 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1540867496 YDGGRXHKSWQING-QXAKKESOSA-N 441.532 1.983 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)CC1 1540872782 AFBQASFHGMQRJN-UHFFFAOYSA-N 436.564 1.597 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1CCOCC1 1540876041 FZBVMJOTCSUNCX-IEBWSBKVSA-N 434.585 1.267 30 10 IDEE CC(=O)NC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1541042149 ANFLSVFYFHNBIN-JOCHJYFZSA-N 442.520 1.937 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1554283008 AZRHWPZOURPNOP-NDEPHWFRSA-N 435.575 1.599 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)cn1 1554329200 BOAXPWWJWKGVST-LJQANCHMSA-N 429.481 1.572 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)C1=O 1554354251 NBMHSWFBHQEALS-NRFANRHFSA-N 442.545 1.308 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](Cc1ccccc1)OC 1555753848 WRHQBXLLDXKJKJ-BURNTYAHSA-N 441.532 1.989 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CCCO)C1 1555983828 DJSZBFAOHPQJJU-KKSFZXQISA-N 442.499 1.214 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc21 1558642943 HZLFOZGTJRFXJB-LRDNONRASA-N 449.533 1.253 30 10 IDEE COc1cc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)ccc1S(C)(=O)=O 1560234465 FRFVIFMJYRMIDW-WMZOPIPTSA-N 436.578 1.442 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)[C@H]1c1ccnn1C 1565561269 DGOUBIUQXCJQMQ-YADHBBJMSA-N 436.516 1.319 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1584697911 YWUNYNPDUBVTTO-CYBMUJFWSA-N 426.905 1.576 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588055584 XWMBQRINIOKAEN-DBXWQHBBSA-N 438.594 1.596 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)C(=O)NCC2 1588159208 SIMRJBSWDKJZRH-UHFFFAOYSA-N 427.512 1.547 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1588384826 BYGLKDLXGGAJSN-QGZVFWFLSA-N 437.953 1.772 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1588646000 FMXLDFCJSIDDSY-LJQANCHMSA-N 437.610 1.388 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCC2)CC1 1588961687 ITPPUXGDKKBGGM-UHFFFAOYSA-N 425.537 1.021 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589059640 HFZGDKYATDOTEA-KKSFZXQISA-N 446.577 1.701 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCOC2)CC1 1594241402 PFYNIDVCNXRXFP-GOSISDBHSA-N 437.566 1.360 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595577094 ISMRKJOXJWACCG-HSZRJFAPSA-N 438.532 1.493 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)C1 1595674196 NTNPEDLOOAZJRO-CZUORRHYSA-N 441.504 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595805285 MSGQSFZSZXCMOP-OAHLLOKOSA-N 427.571 1.887 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)ccc1F 1602976498 ZKNVAMBJSWUPOF-BGYRXZFFSA-N 426.510 1.277 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 1611788402 DRAMSHJSLFCGQT-BETUJISGSA-N 427.458 1.082 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccnc(C#N)c3)CS(=O)(=O)[C@H]2C1 1618800186 ABQGYDHXIJVRSA-OIISXLGYSA-N 434.518 1.240 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1OC 1619165281 CWHKDAYAZLYJKM-HIFRSBDPSA-N 441.492 1.546 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1619878096 AEVUKNQCYXEIHA-ZWKOTPCHSA-N 426.477 1.509 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(Cl)cc3F)c3c2CCC3)CC1 1623498785 DFMMTSDCEKVJNX-UHFFFAOYSA-N 443.910 1.661 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1627819096 YCRHQIAUIKTHOE-CYBMUJFWSA-N 431.436 1.129 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c2ccc(F)cc2O1 1628254885 HMPHNFBSIJYKAJ-KRWDZBQOSA-N 436.392 1.843 30 10 IDEE C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1632172292 GOGYVQHZVQCURZ-CALCHBBNSA-N 436.553 1.754 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1635513644 HWXOEKHHLURRJD-UHFFFAOYSA-N 441.509 1.861 30 10 IDEE Cc1ccc(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1636996534 BECVIQDCQBYEAI-LJQANCHMSA-N 428.338 1.804 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)[C@H](C)C1 1639207317 VOMCIFQWYQFOSC-FMKPAKJESA-N 441.575 1.366 30 10 IDEE C#CC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(OCC)cc2)CC1 1646157554 WISCNNDAMUTORN-GOSISDBHSA-N 440.587 1.472 30 10 IDEE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1647472582 DYEXWHVMNJPHRZ-GZRFBZBPSA-N 430.505 1.276 30 10 IDEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3cccc(COc4ccccc4C#N)c3)C2)cc1=O 1647906929 DNRVVLQBYDJKGF-IBGZPJMESA-N 445.479 1.945 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c3ccncc3)n[nH]2)c1C 1648266325 IILKSXUURSWWTK-VQTJNVASSA-N 438.488 1.866 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1650791865 HOESASQPPKINFX-KSSFIOAISA-N 438.406 1.893 30 10 IDEE COC(=O)c1cnc([C@@H]2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)s1 1655187491 XFEHLPLJGMLRJH-IAGOWNOFSA-N 433.578 1.801 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 1660613476 HAXJPPXOCTYCMD-UHFFFAOYSA-N 442.335 1.580 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 1680943343 CJSXTOJXEYOYMP-AWEZNQCLSA-N 432.468 1.431 30 10 IDEE CS(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682021273 CVGLBEKSAKIRHT-GOSISDBHSA-N 426.498 1.562 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1689914045 ZFWSDVRYVWGOQN-MGPUTAFESA-N 435.525 1.539 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1689975056 IOCDGMWADLDOQQ-QZQOTICOSA-N 436.472 1.462 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1689988168 KLCBLIBUCSABFP-RTBURBONSA-N 435.594 1.019 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC2CCN(CC)CC2)CC1 1690154642 VMDUWBUWPMNIIY-UHFFFAOYSA-N 430.597 1.902 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 1690669425 FGOAXSZNZPVNFY-MOPGFXCFSA-N 438.532 1.717 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CC2)c1 1696620707 LXHNVCZYDQOQQU-GOSISDBHSA-N 434.497 1.162 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)c(F)c2F)CCO1 1698490478 CSDCHIVGMOABDS-CQSZACIVSA-N 434.422 1.903 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC(N)=O 1705513827 ACKXHLFDPIDZEP-OAHLLOKOSA-N 431.566 1.742 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1nnc2n1CCC2 1705602255 OEDBVWXHSDGTOC-UHFFFAOYSA-N 431.500 1.915 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705706008 OILCYSCVLQIHTC-BJLQDIEVSA-N 426.521 1.196 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CC2)C(=O)C1 1705906435 DTOBHHLQKYAPHK-UHFFFAOYSA-N 438.532 1.587 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)nn(C)c2OC)C1 1705915823 XFKDBUVEMTUHGL-INIZCTEOSA-N 443.552 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705936976 DJFNJLVQAVKBKW-LJQANCHMSA-N 448.593 1.714 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1706674904 PFDKADSSHUSKCV-WOJBJXKFSA-N 439.582 1.883 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)C1 1706934676 DSNZJVUEWJKLEG-UWJYYQICSA-N 448.593 1.713 30 10 IDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)COCCO1 1706963524 MFIZSYLBQUDLIF-JOCHJYFZSA-N 427.505 1.743 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@@H]3CCN(C(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710433041 VCHLGTBONANDFA-JTSKRJEESA-N 442.520 1.748 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711074044 RGUYPIHLBGPOSH-BKBKCADHSA-N 447.499 1.816 30 10 IDEE COC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1711483299 YPOJEGCZZPYLGS-UHFFFAOYSA-N 438.536 1.532 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1711595300 BSZTWJDFGQXPCF-LSGABVIPSA-N 437.504 1.872 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1712612026 VOCYTWBMQXHFIJ-HXUWFJFHSA-N 426.521 1.391 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722337227 WQORMSQRXMKLGH-FQEVSTJZSA-N 427.597 1.637 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722341675 LLPOLIMWHOXUOD-ZCNNSNEGSA-N 444.580 1.998 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1722369200 ZNRHAPMJPTWPNI-SFHVURJKSA-N 431.562 1.159 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C)ccc1OC 1722383765 RCHHSSOECOIDHA-IBGZPJMESA-N 426.542 1.813 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(O)c2)CC1 1722452009 ANHCTTGWFXYVQF-UHFFFAOYSA-N 428.562 1.815 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1722535592 LDSLUYYGQNWBPP-UHFFFAOYSA-N 432.550 1.531 30 10 IDEE C=CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722610153 LMBKZEFHRKJQBM-KRWDZBQOSA-N 442.495 1.500 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722616705 BPCJIQFKFPWQIQ-KTGAGVNESA-N 439.582 1.174 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1722693018 BJKNDHARCRZYFH-IYBDPMFKSA-N 446.577 1.590 30 10 IDEE CCOCCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1729173169 BHNHCSRXZPJIIT-UHFFFAOYSA-N 427.509 1.072 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1729295597 CDLFBGVPHLCHEY-OAQYLSRUSA-N 445.527 1.937 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1730763324 FKJAMFVVAYFORA-SIKLNZKXSA-N 426.521 1.968 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(CCN(C)C)CC1 1740559232 ZHXIAHPOTOSFBU-IBGZPJMESA-N 426.613 1.871 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1740589164 QGUYSEUIQWJVPD-BBWFWOEESA-N 428.537 1.946 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1740618931 LOCCVKNDELEIPS-MJGOQNOKSA-N 448.545 1.242 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1740651333 AVPAZCMWLOHPQE-UHFFFAOYSA-N 430.516 1.421 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC1CCCCC1 1740665615 JZXYFEPTGSPGAD-UHFFFAOYSA-N 433.520 1.829 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1740688787 JPCCZNVDJWKBOX-VQTJNVASSA-N 428.581 1.721 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[S@@](=O)CC)CC1 1740704219 MAWHSEOKHABXNG-PMERELPUSA-N 431.537 1.819 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740956286 OGUQIWZQROYGNM-AWEZNQCLSA-N 429.912 1.457 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](OC)C(C)(C)C)C1 1740973399 XDQIWPRUZKLKBT-BZUAXINKSA-N 429.587 1.731 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1741006188 ZXSWIRSFJQIHQW-LSDHHAIUSA-N 446.602 1.904 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@H]3CCS(=O)(=O)C3)nnc1N(C)C[C@H](C)C#N)CCC2 1742500968 KVOJNLCJWJIXOT-PVAVHDDUSA-N 431.566 1.859 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN(CC)S(C)(=O)=O 1748638204 KRUWZNINZWOHTJ-HNNXBMFYSA-N 433.538 1.055 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(Cn2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 1748817089 FAMMMJWBHUTMNN-HXUWFJFHSA-N 438.557 1.760 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1748902671 IEJKHSTUROLZLQ-GOSISDBHSA-N 442.541 1.763 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC=C)CC1 1748999398 TYQQRDRXXXRYKQ-UHFFFAOYSA-N 428.924 1.568 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749209394 WOMDSIHBPUOLDL-AOIWGVFYSA-N 438.536 1.955 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749268447 ALFJLGCDKQABDH-KBPBESRZSA-N 427.958 1.428 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749664253 IJPYXCWAVWNGQE-QFIPXVFZSA-N 428.512 1.687 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1760163032 KPVYMSNKHGYOLN-GFCCVEGCSA-N 444.359 1.007 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1760189203 SMEQYNISYYDCQI-DLBZAZTESA-N 447.948 1.558 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1760191548 JKTSNZKOIYZIHB-KRWDZBQOSA-N 433.578 1.608 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1760197235 YHZPBVDCXJSOMJ-QHCPKHFHSA-N 431.500 1.836 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C1CC1 1760243831 HADOEDQUWXFDRO-UHFFFAOYSA-N 449.353 1.658 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccco2)CC1 1760263510 DOFVMEDRCDMLRQ-JLMWRMLUSA-N 429.521 1.258 30 10 IDEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1760285284 AYZOHWNZFOMQCW-SFHVURJKSA-N 440.573 2.000 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760349109 ZSOSKXYFHNOHGY-OALUTQOASA-N 433.553 1.653 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760450265 HKNJCRRDUODCJP-IBGZPJMESA-N 448.568 1.687 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1)C1CC1 1760474321 SMXDVQZVDRUASR-AWEZNQCLSA-N 428.580 1.160 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1760495400 NFSIWDYQZBDXMP-INIZCTEOSA-N 438.579 1.603 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760527826 JWQHRHZHVYYJJD-MRXNPFEDSA-N 444.923 1.624 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1 1763221073 CGVKMQLRUOZVQT-SFHVURJKSA-N 435.492 1.125 30 10 IDEE CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1768736732 AWAKWFCNXAEJKZ-UHFFFAOYSA-N 432.531 1.866 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1768750313 UVLREXCQAFNHAL-MKJPBZQASA-N 433.509 1.551 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1769123393 AGWQDNPQZNVHCD-NJDAHSKKSA-N 438.532 1.973 30 10 IDEE CNC(=O)CC1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1769270500 JIHCAHSYEACVSF-QZQOTICOSA-N 443.552 1.356 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1770010932 CCKOZJWANMMZRH-GEKBNLEGSA-N 444.536 1.907 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC[C@H]1C 1770634652 VIQYXPIYHJRLGZ-VQIMIIECSA-N 438.532 1.960 30 10 IDEE COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771082324 QQKVPZCIFZUJBC-IBGZPJMESA-N 441.536 1.633 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)OC2=O 1774174026 ZXTWPLPYGDZUFU-BTYIYWSLSA-N 436.509 1.379 30 10 IDEE CC(=O)Nc1ccn2ncc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2c1 1852807577 LMQZOWJCZURDGJ-UHFFFAOYSA-N 433.472 1.538 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCCCN2CCN(C)CC2)c2ccncc2)c(C)c1 1853581971 MKGZIZIYBPUHNK-UHFFFAOYSA-N 445.589 1.993 30 10 IDEE COc1cc(C)c(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858327308 QYDCYSYTBYVHJH-QGZVFWFLSA-N 449.554 1.925 30 10 IDEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)[C@H]3CCCO3)cc2)c1 1858991919 LBWATWODSRBVML-LJQANCHMSA-N 442.497 1.906 30 10 IDEE C#CCOc1cn(CCOCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870563962 VCYCMFHMVRFQDX-UHFFFAOYSA-N 441.528 1.200 30 10 IDEE CC1(C)OB(c2cnc(N3CC[C@@H]4CS(=O)(=O)C[C@@H]43)c(Br)c2)OC1(C)C 2172785265 TXGIXLJLQOXOFF-RISCZKNCSA-N 443.172 1.767 30 10 IDEE Cc1sc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247824827 VWGPBNKDSNHDKS-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248401075 FGYCUESGWWMVJV-CYBMUJFWSA-N 425.266 1.344 30 10 IDEE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248404335 JPEKZIOBVMEOKP-DGCLKSJQSA-N 441.359 1.505 30 10 IDEE Cc1cc(C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255614978 NQDNTOFVQLWMSK-OAQYLSRUSA-N 438.330 1.893 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255702945 NDCHWKDUGWSFIC-KBPBESRZSA-N 436.314 1.679 30 10 IDEE CON(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2255843677 KBZWTSKHWCLWHJ-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2267094848 BNNIQKDYMRNMME-UHFFFAOYSA-N 448.329 1.265 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267282778 HDPLLHGZERNNMD-UKMLZYKCSA-N 448.325 1.989 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@](C)(CO)C1 2267560741 HGZNHSOALQPAKP-JOCHJYFZSA-N 449.357 1.758 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2290350484 CPGDPENPRWSQNU-OAHLLOKOSA-N 441.322 1.358 30 10 IDEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1cccnc1 20837203 SPLPESWXRSRRKR-SSDVNMTOSA-N 446.518 1.414 30 10 IDEE CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccc([N+](=O)[O-])cc1 28961594 NLHZMJUEMLEWNE-UHFFFAOYSA-N 443.485 1.436 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3cccc(Cl)c3)cc2C1=O 29087439 ABIZQCVFRWEYDQ-UHFFFAOYSA-N 447.900 1.830 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)s1 30500057 QEDPKSRPXOYDLF-UHFFFAOYSA-N 425.557 1.932 30 10 IDEE CN(C)/C=C\C(=O)c1cn(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)n(C)c1=O 83311134 QSTRSKKZJUKUAC-XQRVVYSFSA-N 445.829 1.984 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)OCC)cc1 109286638 DYNNXJOLVHZHOX-IBGZPJMESA-N 428.510 1.750 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254624184 YUCXJHJFCARWEZ-SMDDNHRTSA-N 426.472 1.272 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](O)C(F)(F)F)nnc12 410068435 ZQMJKYKOIZQXTE-CYBMUJFWSA-N 441.435 1.752 30 10 IDEE COC(=O)CC1(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CCS(=O)(=O)CC1 439234082 FQYBWELCYJVZLI-UHFFFAOYSA-N 431.417 1.792 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H]3CN3CCOCC3)C2=O)cc1 464310547 BISVXDISSOZSPH-RTBURBONSA-N 425.489 1.086 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccccc1C 478756547 VUJRUMZCWMLCKY-UHFFFAOYSA-N 433.537 1.790 30 10 IDEE N#CCN1CCN(C(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CC1 486377790 STMYAGGVLOODBT-ZEVCKCCMSA-N 430.508 1.134 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccnc1N1CCC(CO)CC1 487753398 UOVRTMGOBWWRGA-OAHLLOKOSA-N 443.529 1.467 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(OCC)c(OC)c2)CC1 492336058 LMMKFIYWNSHDOO-UHFFFAOYSA-N 440.338 1.916 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC)n2nnc(-c3ccc(Cl)cc3)n2)CC1 492398871 ZMZUFYHLKPNFOK-QGZVFWFLSA-N 431.928 1.391 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 508823038 AXVUDXYPMZQBJY-SFHVURJKSA-N 436.534 1.861 30 10 IDEE C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 520941335 KCZYEYHJXQSKQS-LJQANCHMSA-N 449.573 1.735 30 10 IDEE C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 540396838 GXUTVLPHFNGLTQ-UHFFFAOYSA-N 432.458 1.701 30 10 IDEE CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(F)(F)F 553913543 MVBBMHZFKFAVSX-INIZCTEOSA-N 448.467 1.933 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 557746659 CUXSIFKFAYJRTE-MRXNPFEDSA-N 431.543 1.517 30 10 IDEE C=C1[C@@H](n2cnc3c(O)nc(N)nc32)C[C@H](O)[C@H]1COS(=O)(=O)c1ccc(C)cc1 575416869 HEFLKLFRVJOGQF-KKUMJFAQSA-N 431.474 1.306 30 10 IDEE in-vitro CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 585088977 VIDWEYDVWOYYEN-HXUWFJFHSA-N 448.525 1.129 30 10 IDEE CN(CC(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)c1ccc(Br)o1 603933220 RPVWEHVDUMLAIO-UHFFFAOYSA-N 432.278 1.730 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 669806584 XCIYOSKJGUXXTR-IAGOWNOFSA-N 425.555 1.050 30 10 IDEE CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 728580556 IRCIXQKJIVFIBY-UHFFFAOYSA-N 440.497 1.493 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1C 730143078 SVPHLOAAYFDEIM-OAHLLOKOSA-N 439.969 1.394 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)c1 730144595 OTIFBOCSHWWUAV-RTBURBONSA-N 428.558 1.846 30 10 IDEE COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1C#N 746922298 PTRXUAGJIQYZCN-INIZCTEOSA-N 431.518 1.624 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 750383764 BECACHSZJAIKEV-KRWDZBQOSA-N 441.465 1.538 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 753166348 BMUPTVLVASPZGT-IIUXCQHESA-N 435.525 1.849 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCCO2)cn1 756085204 SUTFKGUEMHISFM-UZLBHIALSA-N 436.582 1.472 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@](C)(O)C(=O)O 757330128 OOXCNIHWLINGMB-GBXCKJPGSA-N 436.464 1.869 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCc2ccccn2)c1 772523089 GWVIXIRRMOJVJH-NCELDCMTSA-N 443.529 1.582 30 10 IDEE C=CCS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 772716547 DFDWLRFVOCDZKT-ZDUSSCGKSA-N 437.337 1.234 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 783295770 DJQWLAXYTLGPJZ-UHFFFAOYSA-N 429.926 1.173 30 10 IDEE C[C@H](C(=O)OCc1cc(O)n2ncc(C#N)c2n1)c1ccc(S(=O)(=O)N(C)C)cc1 784066482 VJDVLPIGZIEZFC-LBPRGKRZSA-N 429.458 1.404 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)n1 788966187 MSXHHCMNYZTUIJ-QHCPKHFHSA-N 438.576 1.663 30 10 IDEE C=CC[C@]1(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790323660 CBYVWSKTGYIRGH-HNAYVOBHSA-N 430.571 1.364 30 10 IDEE C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 790708689 JZPRZRWIMZUUBF-ZWKOTPCHSA-N 443.573 1.587 30 10 IDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 792658953 OHBZRTFKVGCQSB-ZBWUASRJSA-N 438.509 1.860 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 802568950 SFEUAUPBSDUALH-KRWDZBQOSA-N 425.493 1.494 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1 805788095 HELATPCAFCPDFT-OVWQWFNUSA-N 431.503 1.456 30 10 IDEE Cc1cc(C)cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807931327 PYSRRKAEQMJLLH-SFHVURJKSA-N 443.577 1.632 30 10 IDEE NS(=O)(=O)c1ccc(C=NNS(=O)(=O)CCc2ccccc2)cc1Br 807974700 QISZXDIFZCVGPH-UHFFFAOYSA-N 446.348 1.593 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 812186773 AMYVTWWRVNOUKV-WOJBJXKFSA-N 445.589 1.612 30 10 IDEE C#CCN(CC#C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@H]1CCOC1 812394693 WCARSDRHVVCRLX-LJQANCHMSA-N 441.557 1.517 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 912624832 BHOJRTFIXKILDJ-CHWWFWEZSA-N 439.509 1.967 30 10 IDEE N#C[C@@H](C(=O)c1ccc(-n2cncn2)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917010524 DQDSPLHWQTXVCT-FQEVSTJZSA-N 445.439 1.847 30 10 IDEE CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)OC(C)(C)C 1125203450 WVBLTBNDUOMWBR-WASCAKKMSA-N 425.507 1.795 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1133295060 HJWLHNYNKLJXDG-DLBZAZTESA-N 441.488 1.889 30 10 IDEE CSc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1C#N 1133501314 UZWAHNVBZJVBOZ-UHFFFAOYSA-N 434.543 1.570 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1138181305 PWGBUKZUMHFLIA-DLBZAZTESA-N 444.488 1.626 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 1143100925 BJNYZSRMFXRJJS-MRXNPFEDSA-N 428.514 1.180 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)s1 1168537694 JYZRTWNNBNQTMV-JKSUJKDBSA-N 448.570 1.132 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2sc(SCC(=C)Cl)nc2C)CC1 1175514637 BTORWCLZCJOHOU-UHFFFAOYSA-N 449.023 1.450 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)C2CCOCC2)ccc1C(F)(F)F 1211909779 GWPSWIQQRMGDSL-UHFFFAOYSA-N 426.438 1.449 30 10 IDEE N#C[C@@H]1CN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CCN1Cc1ccccc1 1230308255 IAYPNDYDJZOLPO-RTBURBONSA-N 440.525 1.641 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1233927124 DFWBKBFLZURQHE-MRXNPFEDSA-N 439.534 1.148 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1286297400 WFLGATYLBUXYRZ-RDJZCZTQSA-N 445.545 1.077 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286398599 ZDJBSMFULMHAIP-AYOQOUSVSA-N 446.577 1.191 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1286421390 XPOKGMSXSICPGW-ZBFHGGJFSA-N 434.591 1.920 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1286425934 CUKYISPHGJMEGJ-WJOKGBTCSA-N 434.525 1.968 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CC2)CC1 1286491875 DOAOBRHFSVNNPJ-UHFFFAOYSA-N 439.516 1.356 30 10 IDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1286760847 SCKROTQUVQASGB-HNNXBMFYSA-N 435.575 1.883 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OCC)cc2C1 1286776466 ZJENPCIVUAGPLO-LJQANCHMSA-N 447.561 1.758 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1286785287 IJSSSBNNYFNUGB-UHFFFAOYSA-N 444.446 1.334 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@H](C)C1 1286818278 FQGCAYVVMSNSHE-QGZVFWFLSA-N 434.566 1.098 30 10 IDEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286831242 BRFHDZUWPWGXAW-UHFFFAOYSA-N 434.610 1.713 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286834476 HVXIOBYJCWQZEN-NRFANRHFSA-N 434.610 1.621 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287011061 DCLJMWUUROHCTB-LVWMNBHTSA-N 430.509 1.098 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1291840862 ONCPMYQQTQLBKT-SJORKVTESA-N 441.536 1.332 30 10 IDEE CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)cn1 1295920884 ZNWLDVHNQFKQGC-UHFFFAOYSA-N 448.535 1.274 30 10 IDEE CN(C)c1ncc(Br)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1296166509 HEYJONSBZWWBPV-CMPLNLGQSA-N 439.314 1.794 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300267894 MBNNZJREUFSXGV-DLBZAZTESA-N 437.552 1.473 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300362702 TYLMSOVPKAIPSM-NNWRFLSQSA-N 442.608 1.964 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300365205 REJBMODBZLNFFK-VQTJNVASSA-N 448.637 1.200 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCN(C)CCOC 1300455656 NXIGNTCTPSGCKQ-UHFFFAOYSA-N 437.548 1.884 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2COCCO2)n1 1300680805 FHWGQLULJQWDBE-UXHICEINSA-N 444.536 1.418 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NCCC)CC1 1300719955 XHYQUULDTSOEDT-UHFFFAOYSA-N 425.537 1.166 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300765796 LDKJSYGWNBGCRY-QGZVFWFLSA-N 434.591 1.148 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1301216050 BMKVSFBSBAAPGN-AZUAARDMSA-N 437.548 1.544 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1301253072 VNAFFOFESCWXMZ-RBUKOAKNSA-N 443.552 1.541 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C)C(=O)C1 1301593770 UGJZCUWIPBQFFE-UHFFFAOYSA-N 447.561 1.353 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301651390 BYROGPIMNFQXLX-OAQYLSRUSA-N 426.477 1.796 30 10 IDEE 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C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1358907956 HHWIUFMUNBKOJV-HXUWFJFHSA-N 449.519 1.066 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1358967405 JRDLRXHWFKXROY-IAGOWNOFSA-N 431.518 1.208 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1358983641 QKNUWSQKAFAYJQ-NHCUHLMSSA-N 440.592 1.434 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CCC1 1359006945 OUJJMNMKFNEWMR-PMERELPUSA-N 448.618 1.999 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(F)cc(F)c(F)c2F)CC1 1359027926 APLAYUDLYAARBM-UHFFFAOYSA-N 438.429 1.776 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1359055787 PLMGKNKCFPBUPZ-KBPBESRZSA-N 430.500 1.668 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)NC)C1 1359091086 JBBBHSCPBNLHBQ-MKXGPGLRSA-N 435.569 1.946 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359136901 YOSPJVOAPUVERT-PXNSSMCTSA-N 442.582 1.535 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359215527 DOFJWILMLOVMGI-SQNIBIBYSA-N 439.582 1.725 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCN(C)C1 1359270071 ALOXKNXXOIZMNV-NRFANRHFSA-N 445.593 1.483 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ccccn2)CC1 1359302253 AGAQXSPLKNCMOH-UHFFFAOYSA-N 447.543 1.901 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359303104 DKOUUZZUFGNMPF-WZONZLPQSA-N 441.532 1.586 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1 1359320897 XLTUQEBGMHJLLS-HCXYKTFWSA-N 446.596 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)C(=O)C1 1359330474 SPVXMNZABFWBEJ-UHFFFAOYSA-N 434.566 1.189 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1461384010 BOWAEZZQYPGVBL-UHFFFAOYSA-N 436.530 1.433 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)ncc1Br 1464922095 DZJGKDAFFUKTAP-OWBHPGMISA-N 444.083 1.863 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1469509062 FUWDTYCBZNTBHE-OAHLLOKOSA-N 439.500 1.810 30 10 IDEE Cn1c(=O)[nH]c(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(C#N)c1=O 1472739592 CVRBFMLTKWTNHA-OAHLLOKOSA-N 429.278 1.095 30 10 IDEE C#CCN1CCN(C(=O)CN2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 1473780060 UPRZHIGOGQLBRB-HOTGVXAUSA-N 432.487 1.399 30 10 IDEE C=CCN(C(=O)Nc1cccn(Cc2cccc(OC)n2)c1=O)[C@@H]1CCS(=O)(=O)C1 1477213731 RBHXMUDLHFCMFV-MRXNPFEDSA-N 432.502 1.507 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1479312612 IZGNHKYJJSDPQL-IAGOWNOFSA-N 434.537 1.136 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1503640845 QXKTUNSPCPCTQK-LJQANCHMSA-N 447.499 1.886 30 10 IDEE CSC1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCN(C)CC1 1505195489 HCUMWTVTSGKNQX-IBGZPJMESA-N 435.573 1.670 30 10 IDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCNS(C)(=O)=O 1507603766 UZDHSDCJXMRSMZ-UHFFFAOYSA-N 444.330 1.855 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507631943 VPBITMJRESPMSU-OAHLLOKOSA-N 431.547 1.119 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1507719403 NMOHPNGFIHYHRY-QPPBQGQZSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1507720134 RXNWBEBBZRGWPU-XMMPIXPASA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(C(C)(C)C)n2)CC1 1507723427 IGWWFVXDLRNVLM-KRWDZBQOSA-N 441.605 1.981 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cc(C)nn2C)CC1 1507728213 PNGIOTJEKRPXIL-UHFFFAOYSA-N 433.560 1.917 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(CN3CCOCC3)c2)CC1 1507732028 HJNYLZBAFCKGCY-UHFFFAOYSA-N 438.576 1.450 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507790707 CARRXADVAUHTAE-QWHCGFSZSA-N 434.360 1.508 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1507800379 VJEYWCZVJZOLID-BJLQDIEVSA-N 433.553 1.448 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1507801157 RNJITOARWWQLCR-NQIIRXRSSA-N 440.548 1.925 30 10 IDEE CC(C)CSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1509492569 VVNTYQASNSXHKY-HOTGVXAUSA-N 444.627 1.739 30 10 IDEE C[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1512535021 AKJRJOXGHTUORO-BZUAXINKSA-N 430.534 1.671 30 10 IDEE CCc1nc(C)c(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)o1 1513730157 PMAGCNYORQJJPV-IERDGZPVSA-N 430.509 1.955 30 10 IDEE CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1Cc1ccc(C#N)o1 1513911795 DEWISSSIRQTXLK-INIZCTEOSA-N 425.537 1.923 30 10 IDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(=O)(=O)CC)cn1 1515777011 AYEFQEGQRTXBKP-UHFFFAOYSA-N 427.534 1.952 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNC(C)=O)CC2)CCOC1 1517925535 CDSWTSHYOUTGHZ-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CCCc4c(C#N)cccc43)cnc21 1527652746 DTJUNNFYCZBJFY-UHFFFAOYSA-N 427.262 1.744 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(N3CCSCC3)c2)cc1 1530656436 YRUXGVVFGDCRDD-UHFFFAOYSA-N 445.570 1.757 30 10 IDEE N#Cc1cccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)n1 1537100187 FJQIMGGUVXSHCL-HNNXBMFYSA-N 432.221 1.871 30 10 IDEE COc1cc(C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)ccc1C#N 1538449159 NPYOUBIGGOLKJD-UHFFFAOYSA-N 427.482 1.569 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1539016102 SXAIZHKVKJFWKN-GOEBONIOSA-N 444.540 1.714 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539216232 POFBQPGKJMHSNT-NEWSRXKRSA-N 443.573 1.948 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1539219414 CGXKQBUTTQGMKF-AZUAARDMSA-N 443.573 1.745 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(NC(C)=O)c2)CC1 1539488627 BTWZLZLVERFQDC-UHFFFAOYSA-N 438.532 1.787 30 10 IDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1539517614 PVZDPIFQFUORRY-MRXNPFEDSA-N 437.566 1.790 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(C)(=O)=O 1539665909 JFZFVMMVBRNRRM-UHFFFAOYSA-N 440.595 1.685 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1540169251 ARZSOPFJXGIQNG-LPHOPBHVSA-N 425.555 1.359 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1540868147 UCZUIYIPUDMUNI-INIZCTEOSA-N 427.553 1.717 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 1540869691 USRRXRLGHZYRHM-DLBZAZTESA-N 444.923 1.763 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540876842 CVZBFNZZOPYFGP-BXWFABGCSA-N 429.525 1.032 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540902186 CKATWJBZINETEN-UHFFFAOYSA-N 436.582 1.484 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 1543348821 YGJPPBWGPYWNGS-WMZOPIPTSA-N 448.545 1.543 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@](C)=O)CC1 1548175087 LUTDWLNRKLMQRQ-PMERELPUSA-N 429.550 1.319 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1554432368 JRUGPOXXOHHQTN-MPGHIAIKSA-N 428.493 1.477 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1555685841 APWKTZCLKWRXEX-FUHWJXTLSA-N 447.561 1.850 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2C)s1 1556377701 OCZUSZDTIYNZMC-UHFFFAOYSA-N 443.572 1.027 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c1C#N 1556842470 IQMVVAOHQQRPEQ-YJBOKZPZSA-N 440.447 1.783 30 10 IDEE C=CCC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1568993273 YOKVJJVTXCLPDQ-KRWDZBQOSA-N 432.498 1.951 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1588265788 HFYMMNOPNBXYFB-YJBOKZPZSA-N 436.557 1.790 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC 1589216494 QFRFAQAKLQJDFV-NSISKUIASA-N 439.582 1.154 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594023563 KPEKHCNZEVEVRQ-UXHICEINSA-N 440.566 1.025 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1594813604 VDNQXKOYOLDECN-ZWKOTPCHSA-N 441.598 1.686 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1595639797 KXBHQKUIXLKSOX-KRWDZBQOSA-N 438.532 1.681 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)C1 1595674165 NJOLTCKTOBMWSX-GVDBMIGSSA-N 449.581 1.129 30 10 IDEE C=C1CC(C)(C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)C1 1596393307 QAJVDSDVZFDZGA-UHFFFAOYSA-N 426.560 1.588 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1598136208 AOYCNKOUCFDACW-FQEVSTJZSA-N 446.515 1.957 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCCCc3ccccc32)cc1 1598590740 HVNHGLMNBLONAJ-UHFFFAOYSA-N 425.510 1.697 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1ccnc(C(C)(C)C)n1 1609508041 ZPUBODQXTDENDG-QGZVFWFLSA-N 440.552 1.865 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1610403798 UIDIHYLLWIPBGF-VXKWHMMOSA-N 430.553 1.927 30 10 IDEE C#CC[C@@]1(C(=O)Nc2ccn(CCN3CCNC3=O)n2)CCCN1C(=O)OC(C)(C)C 1611032089 XHDGSPYJMLRFQN-NRFANRHFSA-N 430.509 1.640 30 10 IDEE Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1612462738 HZVFRXACUHQWKE-LIRRHRJNSA-N 434.570 1.417 30 10 IDEE C=CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1617218038 WZTZHQJGFYUCAB-OAQYLSRUSA-N 427.545 1.730 30 10 IDEE COC(=O)C1(C#N)CCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1617960500 CZXKXJLXGKSLIN-KRWDZBQOSA-N 439.434 1.946 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1620324921 IJYXUOUTSHGMPD-SKOAFDGASA-N 444.536 1.702 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)CC1 1627015288 MVECFZWLZHSYJU-UHFFFAOYSA-N 433.512 1.160 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1628510813 NPHGOMDKLBDGMU-FQEVSTJZSA-N 443.525 1.628 30 10 IDEE N#CCN1CCC(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1629082408 NREGLDVAXYOWNC-CQSZACIVSA-N 430.983 1.906 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1629218056 CDVPLTHKQOFFNE-LRDDRELGSA-N 446.472 1.963 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1631187347 CXBMLNHLYASCTQ-QGZVFWFLSA-N 435.322 1.465 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1631208677 OGLWAWKRWKHYRI-UAGQMJEPSA-N 446.935 1.954 30 10 IDEE COC(=O)[C@]1(O)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1636664218 DEQGKIFONRGMID-JTSKRJEESA-N 429.473 1.529 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 1637076548 JTSAOFHWPKDMSK-IUODEOHRSA-N 426.267 1.265 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)C2)c(=O)nc1O 1637506525 XBHWKOXUEGEWBG-UHFFFAOYSA-N 428.470 1.234 30 10 IDEE CSc1nc(O)c(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1640085348 YGDIANFIOIOQSS-GFCCVEGCSA-N 447.517 1.331 30 10 IDEE C[C@@H](CC(=O)N1CC(=O)N(C)c2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1641636259 NTXMEWYWMXMMTE-AWEZNQCLSA-N 426.498 1.509 30 10 IDEE COC(=O)[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)[C@@H](C)O 1644634211 DOEMEIOCDULVRL-YJYMSZOUSA-N 427.482 1.941 30 10 IDEE CCOC(=O)[C@@]1(C)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1649121971 OAUHCFMCVXCBDF-LJQANCHMSA-N 436.306 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)NC[C@H]2CCCN(CC#N)C2)CC1 1650833973 PFJMXFFIMLPRGT-MRXNPFEDSA-N 431.541 1.815 30 10 IDEE CSc1ncc(I)c(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1651481334 ONBOJTIMDCKWMX-QPUJVOFHSA-N 436.300 1.178 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 1651665378 HHRIZXCHXLZEJX-RPBSFSNWSA-N 434.493 1.141 30 10 IDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 1653481172 HPWLNZYKIKTJNL-GOSISDBHSA-N 430.505 1.772 30 10 IDEE N#Cc1cncc(S(=O)(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1 1665193347 FPEHVUDXVUSDLW-KOLCDFICSA-N 430.330 1.716 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689981768 AVICNNKMFZYRHV-UGNRZPKXSA-N 436.578 1.774 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)CC1 1690110504 OWZTZXLMCXRLMA-UHFFFAOYSA-N 435.454 1.634 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690273071 CYRPHHPCYQWZMF-MRXNPFEDSA-N 438.492 1.268 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1690313439 UGBVJOZYYJNVIP-KRWDZBQOSA-N 425.599 1.740 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690470888 OBLQBAQTHSDPNR-HUUCEWRRSA-N 428.559 1.569 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690726473 BKBJMCRDXHBOFG-OALUTQOASA-N 431.562 1.870 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1692528286 ZQUAMFDLIRCNSY-PFANNTFUSA-N 427.509 1.322 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1COCCO1 1698048907 BJKMIJHBBTXWQA-HXUWFJFHSA-N 437.504 1.619 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1705582465 BMEGXRCLWVPPDC-DLBZAZTESA-N 435.500 1.644 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1705586811 XJMWFSYYHQXLEZ-KRWDZBQOSA-N 426.546 1.202 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(=O)N(CCOC)C1 1705593653 SZXUSWJQHGXHJS-KRWDZBQOSA-N 440.935 1.951 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705600739 KXZWCZMAZXKGIB-QFIPXVFZSA-N 426.542 1.076 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1705613367 ZHLCVYBMVIDRLR-HXUWFJFHSA-N 438.557 1.933 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCC[C@H](C)C2)CC1 1705649169 MWKORWAKYQKXNS-IBGZPJMESA-N 437.592 1.981 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705659897 IWQZRIZRYBOLHG-HZPDHXFCSA-N 427.596 1.404 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705727965 MDRVLHLZVKSOCF-UHFFFAOYSA-N 426.525 1.410 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705937277 OTOIUAOUZWRVOM-SJORKVTESA-N 449.602 1.779 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CN1CCOCC1 1706405296 HNYJIIACGDLYQQ-KRWDZBQOSA-N 439.564 1.980 30 10 IDEE CCN1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1710255443 MJEJDIUHTMIAGZ-ISLYRVAYSA-N 429.525 1.161 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 1722333770 ZFZQUFMXTMINSN-BBWFWOEESA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1722360097 YYCTYJOYDRBUBN-HOTGVXAUSA-N 442.607 1.027 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722367488 WGTWKJOTJBNXPR-KNQAVFIVSA-N 444.557 1.605 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1722426226 CZKFUNQIXSCWDU-LBPRGKRZSA-N 426.486 1.519 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)SC)CC1 1722443734 MYVAPNCJUWGCQZ-IERDGZPVSA-N 435.594 1.648 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1722474948 QWHPHQDOXUOLSG-YLJYHZDGSA-N 436.578 1.616 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCS(C)(=O)=O 1722494131 MYXNEJBQNUCGNX-IAGOWNOFSA-N 439.582 1.366 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722700926 ZESJSIRSNGYDNR-SFHVURJKSA-N 439.564 1.697 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722704868 YLFFCDKTBQLXSC-OAQYLSRUSA-N 435.525 1.010 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(=O)NCC)CCC2)C1 1722720448 LRKIFXWXNFTRGP-QGZVFWFLSA-N 430.553 1.488 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723583113 HKRDQSDIUMVPBH-KIJUOZEOSA-N 429.525 1.425 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[S@@](=O)C(C)(C)C 1729069721 JQOFDBBDQACMIM-WJOKGBTCSA-N 445.593 1.955 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740671188 ATSZKMSRNZAIGN-LSDHHAIUSA-N 433.500 1.524 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1740685050 ARUNKQFYEKADMB-RBUKOAKNSA-N 443.573 1.781 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740724905 DSJMMNLAKBVCQY-RPWUZVMVSA-N 444.624 1.948 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1740730936 LPYSSVRVXQLRSI-NNMXDRDESA-N 449.621 1.529 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CN(C)C(C)C)CC1 1740951088 PPXSQSWLZSLSHY-UHFFFAOYSA-N 431.585 1.373 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](COCC)C1 1740951899 PXUQUKWWUZDOAR-MRXNPFEDSA-N 427.509 1.481 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740988830 QMYQTRFMBIZAPY-AWEZNQCLSA-N 437.953 1.866 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740993840 DTVKYZPZMKQRNY-RDJZCZTQSA-N 440.591 1.771 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1741001699 BDXXHXCDZHWRME-IAGOWNOFSA-N 443.639 1.256 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1748196195 BLJWWQSOQPIAKW-UXHICEINSA-N 438.532 1.831 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1748671934 OKHQBBGITOESBB-YJBOKZPZSA-N 435.525 1.451 30 10 IDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748716568 YKWGDTVPHAAVBJ-SFHVURJKSA-N 430.553 1.496 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1748730109 FBZMNJSRGOOZQF-AWEZNQCLSA-N 449.437 1.844 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC 1748950663 OWUHSLBZOWWWAM-UHFFFAOYSA-N 442.545 1.437 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2C[C@H](F)C2)CC1 1749015416 DHRRAUXVXVTURB-SAABIXHNSA-N 430.528 1.505 30 10 IDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749256077 TVYYQEFQEZIUAV-UHFFFAOYSA-N 426.886 1.687 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749460928 JTCPYHCKBCWRSJ-CABCVRRESA-N 447.517 1.976 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ncc(CC)s1 1749488452 LCNSXZAGKZDDDO-OAHLLOKOSA-N 440.595 1.495 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H](C)O1 1749575318 ACVCOPSVXXIKKA-QAPCUYQASA-N 428.493 1.057 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749682439 UHIYLJQWFISQCA-IKGGRYGDSA-N 448.568 1.859 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 1749693673 LQWFRRHNBBCFPP-GOSISDBHSA-N 433.601 1.224 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@H](C)C1 1749729223 DZNGEXYUBZEJFE-QGZVFWFLSA-N 436.582 1.041 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749730334 AGJFRMWBCBETLM-KRWDZBQOSA-N 434.566 1.175 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCO[C@@H]1CCOC1 1751222106 LQHCPQBUMHGUMO-FRQCXROJSA-N 440.570 1.214 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760138387 XMEQXOJBGGZHGU-IBGZPJMESA-N 442.564 1.247 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)(F)F 1760162898 JIEXGYQJVXVJCL-GFCCVEGCSA-N 431.440 1.905 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)c(F)c1 1760175908 VAIQSPRHBUMFQX-QGZVFWFLSA-N 439.488 1.201 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760178963 HYDZRMQYZPYQFP-SFHVURJKSA-N 433.578 1.721 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1760185558 ZDRRKCVZUZQEPH-INIZCTEOSA-N 430.530 1.999 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760517584 QZEXGWAMRKGLMQ-CQSZACIVSA-N 431.518 1.863 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760524133 PXLMEBGOVABOMJ-MSOLQXFVSA-N 429.525 1.232 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760528443 CLXREULHUDEQJK-HXUWFJFHSA-N 442.511 1.008 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760554720 KWJNKDXNDUFWNP-OXQOHEQNSA-N 426.583 1.852 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)C1 1761548277 PQFJVUONVDCSRI-QHCPKHFHSA-N 437.548 1.631 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1763200995 DPLCIYKNKNUCOE-AEFFLSMTSA-N 442.545 1.356 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1767149727 GPOKUKZSHMEINX-AVRDEDQJSA-N 446.575 1.116 30 10 IDEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1767929824 GQVBMODDYSDFDZ-OAHLLOKOSA-N 439.520 1.995 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768005388 HHTAVUONOZVQBG-OVGZCAFISA-N 444.536 1.561 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1769699990 DMMFDCNLPSVMOB-LJQANCHMSA-N 439.520 1.426 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccco2)CC1=O 1769922304 FBVUPSFBVCHNMX-UHFFFAOYSA-N 436.472 1.665 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1770019548 YHVJRUWAFBUARL-JTDSTZFVSA-N 425.555 1.567 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCCCC2=O)CCO1 1770748084 WNIJKGRVNQSPTP-SFHVURJKSA-N 439.476 1.985 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)CC1 1771538564 FHQLGWUWDXZKTQ-UHFFFAOYSA-N 425.493 1.554 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1772564542 AHSMNOHNSFGLIZ-SFHVURJKSA-N 435.550 1.428 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1772882233 UDXMPPYFXIGOLK-GAVQXBFOSA-N 438.536 1.719 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN1CCCCCC1 1850098134 BDXOJCKABKFHMP-FQEVSTJZSA-N 434.606 1.788 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2CCOC[C@H]2C)cc1 1852540513 QKOUTVDTWIJEKK-IERDGZPVSA-N 443.525 1.704 30 10 IDEE N#CCCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1855507559 QJZSONPYQCFMSG-QGZVFWFLSA-N 438.937 1.468 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870564004 XHLBWHNEEAOHBW-UHFFFAOYSA-N 438.528 1.327 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3CCC(CO)CC3)ncnc21 1873561393 XPBBIAJEZSPKHR-UHFFFAOYSA-N 426.521 1.164 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(N3CCOCC3)ncnc21 1873561781 YKJLACXHRULGNY-UHFFFAOYSA-N 434.504 1.206 30 10 IDEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N(C)CCO)ncnc21 1873595616 KMXDBWNJANSSLI-HXUWFJFHSA-N 438.532 1.784 30 10 IDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)c1 1891738937 YTHOHKDRPDKCFU-QGZVFWFLSA-N 432.546 1.775 30 10 IDEE COC(=O)C1(C(=O)NCB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)CC1 2010390248 BBHCSWVBPIHHDA-UHFFFAOYSA-N 426.319 1.924 30 10 IDEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2241754287 BBIAJGXZXHWEOY-HXUWFJFHSA-N 444.509 1.920 30 10 IDEE C=C(CS(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2243754729 VOEAUERNPPGXET-INIZCTEOSA-N 425.312 1.763 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545395 POPRIYXDAQPONM-UKRRQHHQSA-N 434.346 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1 2255653867 OZSSCYBMZYBYQQ-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2255694797 UFUXFMWOLVUKIU-ASSNKEHSSA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255816151 ZRQZXOBORVFSEF-NRFANRHFSA-N 436.314 1.681 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256678528 OKTLGJSFHXFGLF-INIZCTEOSA-N 434.342 1.735 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2COCCN2Cc2ccccc2)n1 2267184643 WLFFJAVHUJSSEM-SFHVURJKSA-N 440.353 1.350 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CCC([C@@H](C)C#N)CC1)NC(=O)OCc1ccccc1 2286047418 GPEVAVYFTIGAKU-YJBOKZPZSA-N 437.518 1.656 30 10 IDEE Cn1nc(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2312856118 PIQNRUDYZDJNHS-XNRPHZJLSA-N 432.330 1.457 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 2337196492 LLYYRYOJDIVGGE-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE COc1nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339786232 ILCJWODQPILKKL-HNNXBMFYSA-N 449.357 1.807 30 10 IDEE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NS(C)(=O)=O)C1 59500633 DVBULDLQSKWNIY-ONDHQXCVSA-N 425.511 1.563 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cn2c(-c3ccccn3)csc2=O)CC1 111220599 XVDBFTIJQSPMHD-UHFFFAOYSA-N 441.538 1.807 30 10 IDEE COCCCN1C(=O)c2ccc(C(=O)NCC3CCN(C(=O)CC#N)CC3)cc2C1=O 219529073 OWLIAKBJPCGYDG-UHFFFAOYSA-N 426.473 1.201 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ccccc2I)CCO1 410144388 WIGJNKGXGJUUNH-DOMZBBRYSA-N 447.298 1.897 30 10 IDEE CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 433591998 RHFNRYBIRHFJIQ-UHFFFAOYSA-N 430.461 1.802 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 467805614 DUYZFFUGGVSPJH-UHFFFAOYSA-N 441.513 1.933 30 10 IDEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)C1 471032392 YZXFGQSKDSSAID-HNNXBMFYSA-N 425.489 1.287 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)c(C#N)cn1CCOC 480050043 IGGSBZLUXAKAMO-UHFFFAOYSA-N 445.398 1.421 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1C[C@H]1CCCO1 485934295 QYQLMSRNRQWHAU-MRXNPFEDSA-N 447.919 1.663 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC(C(=O)NCCN(C(C)C)C(C)C)CC2)cc1C#N 489119031 VHHPOVXJOGPVTO-UHFFFAOYSA-N 435.594 1.897 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(C)(C)C(=O)OC)CC1 494425162 KYPDONAOENNLDB-UHFFFAOYSA-N 433.553 1.521 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 506217174 SINYAWHUXYNQKR-QFIPXVFZSA-N 429.521 1.498 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCc2ccccc2)CC1 508470255 BYEKESRBOKQMPP-INIZCTEOSA-N 446.577 1.607 30 10 IDEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1 511377626 KTRDHFNFLYKEEZ-HDYDNRTBSA-N 441.532 1.924 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 512417800 GTPWAJBUUGAKPI-ROUUACIJSA-N 449.515 1.248 30 10 IDEE CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 516341716 VSTMDSPUQNYDRO-UHFFFAOYSA-N 427.530 1.946 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 516497608 SUPJRBDKLDNPSW-MRXNPFEDSA-N 427.530 1.616 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(F)F)c2)CC1 523211681 FUBLESZPAHMRSB-UHFFFAOYSA-N 448.451 1.967 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 543203651 DCGMBUCOBUXSIQ-MOPGFXCFSA-N 446.467 1.470 30 10 IDEE Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C 546198200 WZTVYKGKDMPLDJ-UHFFFAOYSA-N 441.557 1.977 30 10 IDEE CC[C@H](CO)N1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 559771902 KMYNQUJCHYLDEW-QGZVFWFLSA-N 426.477 1.901 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@@H]1CCCO1 603798966 PYPAGKYGLWOUPD-HNNXBMFYSA-N 431.583 1.878 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc23)CC1 609939952 ADCZKBHQCHZEIH-UHFFFAOYSA-N 437.481 1.511 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)n(CCC#N)n1 611644852 VANVCNZBKZNTRS-KRWDZBQOSA-N 444.517 1.477 30 10 IDEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1 614904223 FFBPPPKXEIBMLC-HNNXBMFYSA-N 440.550 1.578 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669804663 WZELHDUDSFDFDV-UTKZUKDTSA-N 440.596 1.705 30 10 IDEE C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671666191 GBVSUTDLLWDLSF-SFHVURJKSA-N 446.529 1.551 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729671894 RAXFQACGALAPPV-UHFFFAOYSA-N 445.479 1.491 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 732152641 FKLXCZKGFLAIQT-SSZFMOIBSA-N 438.341 1.681 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c(C)c1 732650561 XHEOOGYFBGYKOR-FQEVSTJZSA-N 430.574 1.903 30 10 IDEE COc1ccc(OC)c(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742572452 CXZKLJMTCHJUSP-CQSZACIVSA-N 431.514 1.880 30 10 IDEE C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1ccncc1 749774759 BDTYHNBYJVAVIK-OEBSBLQASA-N 443.529 1.753 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)CC1 758472592 LZAWJNQXTHBQLY-OAHLLOKOSA-N 437.466 1.192 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1C[C@H]1CCCO1 760378668 SOBAOXBRJLZVBS-OAHLLOKOSA-N 444.944 1.251 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCC2CCS(=O)(=O)CC2)cn1 768418060 QNYLBEMGLMEYKS-HNNXBMFYSA-N 441.579 1.186 30 10 IDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(Cl)s1 770651235 ROQFGAYQQUYHOZ-UHFFFAOYSA-N 446.963 1.583 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 780895062 ORMWPTGLLXRCRE-ICSRJNTNSA-N 429.498 1.365 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 785734511 WZADLICONAUKPN-HXUWFJFHSA-N 436.534 1.244 30 10 IDEE CN1C(=O)N(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)C(=O)C12CCCCC2 786560361 RJQXQCNWGZZOJB-HNNXBMFYSA-N 432.427 1.887 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C2CCN(c3cnccn3)CC2)ccc1F 790205642 FWJLHZGMQSPEAB-UHFFFAOYSA-N 433.509 1.821 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 790487395 UGEFIKRSHDCNBZ-CGTJXYLNSA-N 445.495 1.985 30 10 IDEE CC(C)=CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 790708627 JHZUOHSUCYRBDZ-QGZVFWFLSA-N 431.562 1.751 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 795328594 UKGDFLDVNMHFMH-ZDUSSCGKSA-N 433.408 1.181 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCNC(=O)C(C)C 809890003 RKRWVSYCBINCFC-INIZCTEOSA-N 436.557 1.981 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811230684 VEPDWXXRYIJWSR-RHSMWYFYSA-N 436.534 1.598 30 10 IDEE O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1C1CCCC1 821692563 HVWCEYZCJBRZGU-UHFFFAOYSA-N 431.474 1.219 30 10 IDEE COc1ccc(O[C@@H](C)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 915377935 LXUMFWWGLRBFGP-AWEZNQCLSA-N 428.445 1.523 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)c1 1084284398 MNHNEASKUQHJSV-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE N#CCOc1cccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1136763911 JSQXUNLSEZOBJF-UHFFFAOYSA-N 445.497 1.735 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CC(N)=O)C3CCOCC3)C2)C1 1137159521 BFUBCENGBUOBPL-QOQLHOOGSA-N 434.537 1.560 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 1157845325 UFJMMIIVVKZGFI-MRXNPFEDSA-N 435.546 1.975 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)cc1 1160035002 OREAJOSHUOTHCE-UHFFFAOYSA-N 442.585 1.875 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1161796926 GOIMDGZSULNCSG-UHFFFAOYSA-N 441.465 1.116 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)C2)nc1 1178466859 YMLZUVDUSPURHL-CVEARBPZSA-N 445.570 1.957 30 10 IDEE N#C[C@]12CN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)C[C@H]1CS(=O)(=O)C2 1179653305 XCDQNKIWJJPCMA-SUMWQHHRSA-N 435.303 1.645 30 10 IDEE CN(c1cccc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)c1)S(C)(=O)=O 1251517335 QRAVAVQZODGRDU-UHFFFAOYSA-N 428.518 1.381 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1286302008 BGRQGMFEZLVVGI-VFNWGFHPSA-N 427.530 1.358 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCCC2)nc1 1286361253 MXDVJUJTBFSCHO-KRWDZBQOSA-N 445.593 1.781 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1286376802 NYYDTDLMSBOWKA-QGZVFWFLSA-N 446.552 1.715 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnn(CCOC)c1 1286410040 RDEJNTRLMSISGG-OAQYLSRUSA-N 432.484 1.755 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1286443701 MHXIGIBYRLJBND-RBUKOAKNSA-N 436.516 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1286479583 HMOFOIPVTLMZAJ-HSALFYBXSA-N 430.597 1.425 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286490436 KXHLZFVKGFUWER-INIZCTEOSA-N 433.578 1.336 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(OC)CCOC1 1286717440 YELBQBRJQIVGHL-FQEVSTJZSA-N 434.566 1.974 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1)C1CC1 1286738408 UPCUYDOGCHCVLU-QZTJIDSGSA-N 437.610 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1286821117 AOLRIOXPLVUVKN-UHFFFAOYSA-N 449.552 1.933 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1299071121 BTDGBQQFYKKBBP-UTKZUKDTSA-N 426.546 1.647 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300499156 QDNPFGLARVRJDE-SXLOBPIMSA-N 445.589 1.952 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 1300891206 KBTSHPAJVCBYGQ-NQIIRXRSSA-N 430.553 1.440 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1300991068 OZMDTMAYXAOFOC-MSOLQXFVSA-N 441.598 1.829 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301151382 MQAONJZLRMWGEV-HZPDHXFCSA-N 428.541 1.916 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1301152340 YLFVJJKEJGYDBL-KRWDZBQOSA-N 441.598 1.422 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1301391260 STGQDOYBKRRPII-INIZCTEOSA-N 447.536 1.928 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1301451385 NVNDAVBWCVZHAQ-OAQYLSRUSA-N 430.509 1.923 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301509462 HSPCVHRKVIHETO-MJGOQNOKSA-N 438.532 1.164 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 1301555179 UOLDMFZMOLPEEF-PMPSAXMXSA-N 434.541 1.924 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(F)(F)CO1 1301799968 POLUDCPYRUKBRN-CQSZACIVSA-N 435.435 1.716 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2cccc(Br)c2)CC1 1302924644 QFUPBBDUPZHUJT-UHFFFAOYSA-N 436.278 1.153 30 10 IDEE CC(C)OCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1303566753 JZKDZLRIRSPRHH-DENIHFKCSA-N 432.569 1.920 30 10 IDEE Cc1c(CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1304093633 QQNAWJVXRIEBCQ-FMQUCBEESA-N 426.525 1.681 30 10 IDEE CC(C)(CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)NC(=O)OCc1ccccc1 1305589700 KUHBKUCEMVCUSS-UHFFFAOYSA-N 425.445 1.299 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCOCC1 1313824288 ACOIYWXJVJCNIG-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE CCOCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314282731 FYSPFCWXKBYZQU-QGZVFWFLSA-N 439.520 1.827 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C 1314740892 FDAYZKYEJKCZLN-UHFFFAOYSA-N 439.545 1.663 30 10 IDEE CN(CCc1cnccn1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314831642 XDZCVCQANGINBC-VZCXRCSSSA-N 436.520 1.931 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1316223986 GZNZNEDTERBNGX-UTKZUKDTSA-N 428.468 1.745 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nn1 1348487281 HCBWRWJIBZDQTI-UHFFFAOYSA-N 446.352 1.435 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)c(F)c1 1358895861 SEPVJDPSDTWKBK-QGZVFWFLSA-N 440.523 1.882 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCCOC)cc1 1358948669 HYPXVONZXUKPJX-GOSISDBHSA-N 432.546 1.713 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358962380 OWXJZINWKPUMQQ-MOPGFXCFSA-N 439.541 1.569 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358967910 VLKAHXVYCOGBIE-IEBWSBKVSA-N 448.520 1.802 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2([S@@](C)=O)CC2)CC1 1359039725 SWCKXHNKAJPPLT-SSEXGKCCSA-N 431.537 1.663 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359054745 FVEFOPSWSPEELE-UHFFFAOYSA-N 439.593 1.491 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359089290 GENOXUCGNZVTLR-QLDGJZPUSA-N 433.553 1.782 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359186756 RTNDZTBCSHPIMV-UHFFFAOYSA-N 436.524 1.278 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359301607 DFXHNBNBCIAFDT-RTBURBONSA-N 447.486 1.834 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359302555 LFPCRWGIMXBSOP-UHFFFAOYSA-N 425.537 1.307 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(C)(C)C)C1 1359326881 LWOKHVQQPPQZDS-CABCVRRESA-N 447.627 1.362 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1360482538 GCVWDFMRDOELDR-KFWWJZLASA-N 429.529 1.964 30 10 IDEE Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1454306017 AAURQFGIZIANIQ-YLJYHZDGSA-N 426.542 1.924 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)C2)nc1 1456060593 JFGKALJYULHHHO-GOSISDBHSA-N 428.514 1.365 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1468015990 GPZUDVCFOYGFSQ-GJZGRUSLSA-N 443.447 1.081 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 1473220040 YNNYIKHYLYRBFB-VQIMIIECSA-N 427.501 1.900 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1479148324 WMZIYKHCNXJNSP-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCOC1 1503416028 RYBGIWPJOJTYMX-FUHWJXTLSA-N 430.534 1.323 30 10 IDEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1504186592 AGAAWDGCIMTCRL-FQEVSTJZSA-N 432.550 1.975 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507633479 FAVXGBIHWVTSLL-IBGZPJMESA-N 429.546 1.317 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1507636787 DIIJHEYVYGDVIG-GOSISDBHSA-N 432.546 1.829 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1507734994 GSKMPTKQNZCLMC-UHFFFAOYSA-N 443.515 1.452 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2cnn(CCOC)c2)CC1 1507735173 MWKKEYBXRKKJNJ-UHFFFAOYSA-N 447.543 1.802 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1507789529 DIOBUMHJFSSLSI-CQSZACIVSA-N 437.342 1.510 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508026960 KDPBCOHIQYLCAZ-FQEVSTJZSA-N 431.518 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCC(=O)N1 1508149191 PXPBFKIPBIYXJM-STQMWFEESA-N 441.464 1.350 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCn1cccn1 1510153933 FDDSLJPKHKPRED-INIZCTEOSA-N 442.549 1.683 30 10 IDEE C[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1512222037 PCWDWBSGIKUEAW-PBHICJAKSA-N 434.522 1.360 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1514253801 FGJVKSYXMAJFMK-JOCHJYFZSA-N 426.521 1.663 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1515294877 LEJMREDAQSROIC-UHFFFAOYSA-N 432.488 1.662 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 1516458418 UJSLKESYRGQZLT-SFHVURJKSA-N 427.910 1.502 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1519273819 BEIWENWYKJAFRA-CBGDNZLLSA-N 447.515 1.845 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1539065826 LCFFGUZEHOAJGV-GOSISDBHSA-N 434.500 1.765 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1539115449 BTTNSGKETBCZDJ-UHFFFAOYSA-N 433.516 1.664 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539124967 JGZRIAANKXQQHN-HUUCEWRRSA-N 449.499 1.803 30 10 IDEE C#CCN(c1nnc(C)n1CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539206066 MIPMYWDRMRFTKI-MRXNPFEDSA-N 425.555 1.470 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1539226018 SINCXGYJUSSRAG-QGZVFWFLSA-N 431.566 1.307 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539272188 ULNTVGNINPKQRM-UHFFFAOYSA-N 448.552 1.635 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539751958 YBWJNXHZZHTJLO-QZTJIDSGSA-N 446.552 1.879 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1540863368 VCVFTZXTBFFQLA-UHFFFAOYSA-N 446.577 1.356 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1CCN/C(O)=C1\N=CC=CC1=O 1541634941 SISOVGSTBZZIGC-UFOSLELVSA-N 441.492 1.733 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCO[C@@H]1C 1541888501 CRDKFLLBPUUJTF-STXHMFSFSA-N 433.534 1.226 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1541910943 GFZPQLJIQGKCHA-CRAIPNDOSA-N 432.550 1.823 30 10 IDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCCCS(C)(=O)=O)CC1 1541993529 VOODOWMQMFZFPZ-UHFFFAOYSA-N 436.582 1.745 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1552374691 QFSJYNFROVWKIG-SFHVURJKSA-N 448.549 1.224 30 10 IDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=CCC2)CC1=O 1555575974 WDXNTCKPYRZDNN-IBGZPJMESA-N 436.516 1.990 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)C1 1558329443 QGSDCPDMHHUEGH-AWEZNQCLSA-N 428.352 1.527 30 10 IDEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2)cc1 1558643313 SABRMBZTOANKTQ-QFBILLFUSA-N 433.511 1.044 30 10 IDEE CC(=O)NCC(=O)N1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CC1 1562418959 DTJLAFYEAHMTPV-UHFFFAOYSA-N 436.472 1.948 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)C1 1565346749 WSAAICLIRQYMOH-QHCPKHFHSA-N 439.604 1.754 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3c(Br)c(F)cc(F)c32)C1=O 1584942187 QBCKISMYFLDSFR-UHFFFAOYSA-N 442.216 1.983 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1587640555 SUOWVWXSPDRARI-RHSMWYFYSA-N 437.953 1.771 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1587879550 VTEZABRIWPUJHZ-QGZVFWFLSA-N 446.552 1.544 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cnccc2OC)CC1 1588913706 PXTFNIJZSJYLSZ-UHFFFAOYSA-N 433.516 1.701 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1CCCO 1589260021 XIWKFCKSAKCXPX-FAKFISEUSA-N 431.581 1.841 30 10 IDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1593753065 VCZPZLOUWKFSAP-UHFFFAOYSA-N 431.512 1.896 30 10 IDEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NCC)CC1 1594704067 RGDOBDKVNRCHMK-UHFFFAOYSA-N 426.521 1.898 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1CCOCC1 1595556347 SLVBPCVDXRLMAX-UHFFFAOYSA-N 434.491 1.218 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1595556363 SOKQLLYJBILGHN-IBGZPJMESA-N 431.512 1.940 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCNC(C)=O 1616910728 IRTVEKQUYKSUKI-UHFFFAOYSA-N 429.500 1.678 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1617215001 VUSUQTVNBSJXNU-UHFFFAOYSA-N 435.536 1.645 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1618788137 DZGRBWQUBZFLFC-UHFFFAOYSA-N 441.499 1.546 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3)C2=O)cc1 1625587447 OHYYWEVHEQVXPO-GDBMZVCRSA-N 437.422 1.906 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1F 1625871346 KQVRKKNKUZQYKB-MRXNPFEDSA-N 429.832 1.445 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)CC1 1632960494 HRWHCAHPUBMJHO-UHFFFAOYSA-N 434.905 1.753 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2cnc(C(F)(F)F)c2C1 1633344046 FMFIVKXZUSJVCA-NSHDSACASA-N 427.408 1.483 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)s1 1635515003 VSHFJLMZIBQHMW-ZDUSSCGKSA-N 432.589 1.371 30 10 IDEE N#CCCn1cc(C(=O)NC[C@H]2CCCCN2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 1637250018 PEMZSLFQGKMEGR-GOSISDBHSA-N 426.477 1.949 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 1639611704 GMSUQYGUCPXTEQ-HZPDHXFCSA-N 436.534 1.645 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1642923401 HFTFUJOSJRLFGO-HZPDHXFCSA-N 436.534 1.646 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCS(C)(=O)=O 1643217639 RKNQDULAWDGOET-OAHLLOKOSA-N 429.564 1.081 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCN(CC(F)F)C3)CC2)cc1 1650899094 VYWUDRDPFHJRJU-MRXNPFEDSA-N 440.516 1.662 30 10 IDEE C=CCN(C)CCN(CC)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1653457281 PYUAPZDZZCHGAB-FQEVSTJZSA-N 436.622 1.656 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)Cc2ccccc2C(F)(F)F)CC1 1679705559 CGIPJYPRFSBMSG-MRXNPFEDSA-N 446.495 1.821 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1683846780 JYZNYYDTRXSTTG-LJQANCHMSA-N 448.589 1.592 30 10 IDEE C#C[C@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)[C@H]1CCCO1 1686184478 JLIZMCXQYRHPNQ-FCHUYYIVSA-N 426.561 1.837 30 10 IDEE C#CCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689940747 BVOVKFZLRCKAOP-PGRDOPGGSA-N 430.553 1.772 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988464 PNEHICLKMARERD-YQVWRLOYSA-N 444.561 1.423 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1690026767 LAYYKYIUUBKBGH-OAQYLSRUSA-N 445.571 1.828 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1690035903 NUPUVSWOHKQWMJ-UHFFFAOYSA-N 434.338 1.908 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCNC(=O)c1cc[nH]n1 1690098265 BXFXBQOEZXIQGV-UHFFFAOYSA-N 427.896 1.838 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC[S@@](=O)C(C)(C)C)CC1 1690113280 FLQPHQSLHHEMDG-CQGGRAHPSA-N 425.599 1.305 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690226529 BVBAIDSKEMRQSP-UHFFFAOYSA-N 447.297 1.164 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(=O)NC)C1 1690254786 ISVQAAVVSXSMOQ-QUVRYOLLSA-N 447.580 1.946 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690674808 GGJSQMMMJRYYRK-SFHVURJKSA-N 440.552 1.033 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690675254 UCZLZLILHFBSPG-SFHVURJKSA-N 429.569 1.015 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC(N)=O 1690724665 UBUFBIWBTLXZBI-PBHICJAKSA-N 449.533 1.092 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)NC1CC1 1705546648 NONLMNAWFPNVEV-UHFFFAOYSA-N 443.577 1.675 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705556741 FSEJMCFUVQFMJX-INIZCTEOSA-N 433.534 1.217 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705572152 SGANEDPOQOFWTM-UONOGXRCSA-N 438.472 1.409 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1cccnc1 1705624392 ZUGIMWLSZFPPHB-UHFFFAOYSA-N 429.488 1.645 30 10 IDEE C=CCCOCCn1c(C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1705827209 XXJYKCKTAYMZCZ-UHFFFAOYSA-N 429.550 1.571 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705908163 KBLSOFLFUMCJHF-INIZCTEOSA-N 428.562 1.848 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc2c(c1)OCO2 1706069449 CRHVMMPADFRASK-OAHLLOKOSA-N 426.477 1.918 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1706077206 GWJAVDBXTYKCBJ-LJQANCHMSA-N 438.580 1.327 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1706747939 DKXYANOUZOSLNN-RDJZCZTQSA-N 430.534 1.832 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722337730 HGQXBNRODSKFKC-OAHLLOKOSA-N 441.517 1.952 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1OCCOCC)[C@@H]1CCS(=O)(=O)C1 1722366677 SBQAPDFEGFAPKI-HXUWFJFHSA-N 446.573 1.985 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722367916 PBRSTLMLBCPALR-IAGOWNOFSA-N 433.534 1.256 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1722412202 WVGCWZIZMVVPJQ-VGSWGCGISA-N 425.537 1.452 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2CCS(=O)(=O)C2)n1 1722426830 CXVWZNSMGRONHT-QGZVFWFLSA-N 434.566 1.319 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722533753 AAFJJFBJGLSWOS-SFHVURJKSA-N 434.566 1.568 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722598854 PXGIKBNCXUVBQT-GOSISDBHSA-N 430.553 1.698 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722687914 TZUITOLPIOJGOI-RTBURBONSA-N 443.596 1.213 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722704357 RSOBSRYMJGZOHM-WNKDZCFJSA-N 448.568 1.965 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1723090841 RQKPOEHCALQCOT-UHFFFAOYSA-N 446.519 1.101 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CCC(F)F)n1CCN/C(O)=C1\N=CC=CC1=O 1723573303 QDXWBIOEBADOAX-JQIJEIRASA-N 425.440 1.034 30 10 IDEE C#CCSCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740722002 AQJPURDERKYTEM-OAQYLSRUSA-N 448.593 1.291 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCCC1 1740900783 YJUFTTPMIFCASX-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1740959860 GENYBSPMYZGKCK-FGTMMUONSA-N 432.569 1.605 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1740993718 CNHXLPOEXSYPAV-HXUWFJFHSA-N 445.589 1.185 30 10 IDEE C[C@@H]1C[C@@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1742975222 ASQKUEHRSCJFKE-JLSDUUJJSA-N 430.534 1.700 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OCC)c1 1748641068 ZDEJQGDLYVPWJV-HUUCEWRRSA-N 435.550 1.802 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1748725247 XFQVTODUEXEHII-LJQANCHMSA-N 425.537 1.614 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1749513041 QOAPFFPFXRMRDE-QGZVFWFLSA-N 433.534 1.351 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749682143 OROZTPRGPLSJQO-IYBDPMFKSA-N 434.541 1.578 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1751095242 BFMMMFMNFKEQMX-INIZCTEOSA-N 449.606 1.381 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760186958 BLNDSFZKGIJXEW-KRWDZBQOSA-N 432.550 1.567 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760204393 OKTMRCWMNLAGJS-GOSISDBHSA-N 429.521 1.362 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760225057 GIFBWPQCMTVHOA-YWZLYKJASA-N 436.509 1.566 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)CC1 1760253396 DUONBUCFKQVFJA-FUHWJXTLSA-N 426.496 1.591 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2noc(CC)n2)CC1 1760262773 ACBYSMRLGATWCO-UHFFFAOYSA-N 426.550 1.577 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 1760274384 JBPMLWCYJUERIO-MAUKXSAKSA-N 429.612 1.650 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 1760605934 BHIMNMGAEUBOGI-UHFFFAOYSA-N 449.540 1.977 30 10 IDEE CC(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761093008 BKGCVMGZYQZSIJ-IBGZPJMESA-N 429.569 1.753 30 10 IDEE CN(OC1CCCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1767438058 CVLYAORDGQTVBL-HMWBCQRISA-N 429.481 1.066 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1767897519 HSUWOMSOOKMUOY-SFHVURJKSA-N 426.546 1.865 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O)[C@H]1CCSC1 1768539191 HDEUZVLCEWMGMQ-KRWDZBQOSA-N 435.575 1.820 30 10 IDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1770681574 KIDKUFUFJSBMLH-QGZVFWFLSA-N 446.483 1.008 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1849650567 UALNVLUSZLPRNI-UHFFFAOYSA-N 437.884 1.373 30 10 IDEE Cc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1 1851524446 ZHBVNPBYCBHASG-HXUWFJFHSA-N 433.512 1.980 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)C1 1855354575 MBPKANPPYNPBSO-IBGZPJMESA-N 433.574 1.994 30 10 IDEE COC1CCN(C2CN([C@@H]3CCN(C(=O)c4cc(CC#N)ccc4Cl)C3=O)C2)CC1 1856806655 UVZBTXOCMNKIAM-HXUWFJFHSA-N 430.936 1.942 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2c(N(C)CCO)ncnc21 1873596335 RSEKPJAUVKSBLH-UHFFFAOYSA-N 425.489 1.993 30 10 IDEE N#Cc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1873867061 KLUGYUNRKUHMSU-UHFFFAOYSA-N 444.488 1.949 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1918777399 OCDPPAPMEKJDKZ-LBPRGKRZSA-N 427.361 1.965 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 1984940671 MIRZPVKRPJTUCV-JYJNAYRXSA-N 425.526 1.780 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(C[C@H]2CS(=O)(=O)CCO2)C1=O 2069462894 SZRWRZKGKCNLJT-LSDHHAIUSA-N 439.559 1.185 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2085301895 WMGPAPAUWYNKNU-MELADBBJSA-N 437.346 1.696 30 10 IDEE NCC#Cc1csc(CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 2145992107 STDOMYHYPSZYNN-UHFFFAOYSA-N 445.566 1.944 30 10 IDEE CCC[C@@H](C#N)N1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2145998165 JWXOBPHMEIZTMX-KRWDZBQOSA-N 432.546 1.702 30 10 IDEE Cc1cccc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255676159 MSMURNNKJIINLF-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255679982 WUYACCKBOWPTEO-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE CC1(C)OB(c2csnc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255809649 AXXHSEPGJCLEIG-QGZVFWFLSA-N 442.394 1.646 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CO1 2255946825 JTCIRBGAUYILJG-CQSZACIVSA-N 434.298 1.972 30 10 IDEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267260466 OBGFRNVNFGYSNO-CQSZACIVSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2CC2)C1 2267270750 NKEOTGVUMBTSPH-UHFFFAOYSA-N 444.341 2.000 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267516302 BVFLTXQXGIEZHA-PEBXRYMYSA-N 446.357 1.941 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 2267524809 VPSZKLFSPKZPGX-UHFFFAOYSA-N 446.357 1.895 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267578999 MAFAZWCMSDZFQD-UONOGXRCSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2334314251 WAFNTJOBYSVUJS-ZNMIVQPWSA-N 444.341 1.904 30 10 IDEE CCOC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)c2C#N)C1 13792828 FUOYPGPGOXATEK-AWEZNQCLSA-N 440.547 1.887 30 10 IDEE N#CC(=N/Nc1ccc(S(=O)(=O)O)cc1O)/N=N/c1ccc(S(=O)(=O)O)cc1O 20436375 LCDGQPJZWQNIQC-QJQDQWMRSA-N 441.403 1.624 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)cn1 59830097 OFXHSHLPXBHQKK-LSHDLFTRSA-N 425.522 1.537 30 10 IDEE C/C(O)=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 71538703 NSGZEVBYVVWLTG-JTQLQIEISA-N 439.471 1.872 30 10 IDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 251772811 VHOBSUREAXFRET-KBPBESRZSA-N 438.571 1.720 30 10 IDEE C[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)sc2C1 435319535 MASUDSSGDPUPMO-DYVFJYSZSA-N 437.525 1.995 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478752053 CJCLWKFFPSVKQK-JKSUJKDBSA-N 444.578 1.958 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O 482143866 PFKCZFJTZGJVFL-HNAYVOBHSA-N 426.498 1.489 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3cccc(N4CCOCC4)n3)C2=O)cc1 483233884 JMYTXUNGLFKUHN-HXUWFJFHSA-N 434.500 1.785 30 10 IDEE C=CCN1CC[C@@H](N(C)c2nc(N(C)[C@@H]3CCN(CC=C)C3=O)c([N+](=O)[O-])s2)C1=O 513066291 XYLNMBLAARFLGD-ZIAGYGMSSA-N 434.522 1.498 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 515662178 IJQMWPKXYLLXMP-UHFFFAOYSA-N 448.529 1.194 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 524412464 IBVUHOVILCOLOU-CYBMUJFWSA-N 449.454 1.288 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1C#N 535505852 ZRBSIRGMRQFMIV-MRXNPFEDSA-N 426.496 1.992 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 548852543 ADGNFURBFAXBMK-GOSISDBHSA-N 449.533 1.205 30 10 IDEE CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccc(C#N)n2)CC1 555018389 DTCUJIGRIJDYSF-UHFFFAOYSA-N 437.529 1.962 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 558991701 MQDSNNTXDLUQIN-GOSISDBHSA-N 435.550 1.832 30 10 IDEE N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 559039713 QAZIUXZBDACXMX-OAHLLOKOSA-N 426.860 1.946 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(Br)cnn2C)c1=O 567013581 WBUYBZILHWNVQZ-UHFFFAOYSA-N 449.374 1.934 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCO2)CC1 582534699 SIGCWZHHUBLMTM-IAGOWNOFSA-N 425.555 1.192 30 10 IDEE CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C)c1=O 589159817 VCWIENQHLYKWHJ-UHFFFAOYSA-N 427.574 1.103 30 10 IDEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589440828 GKHKXVGHTSGBIX-GOSISDBHSA-N 426.542 1.960 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 603558185 GBJDJEVUHDJUTF-CQSZACIVSA-N 431.470 1.691 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@H]1CCCO1 609739248 NNXIFGSXPQMSMW-MRXNPFEDSA-N 429.517 1.566 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)/C=C\c3ccccc3C#N)ncnc1-2 729459497 SDDCQOMVZJJGRG-QZQYNBNISA-N 426.278 1.612 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CCN1C1CC1 732708109 MRBJIPUEIWDUBC-INIZCTEOSA-N 440.529 1.270 30 10 IDEE COc1ccc(-c2cnc(CCC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)o2)cc1 732908548 OMJMSUSLMRNZFP-INIZCTEOSA-N 431.470 1.249 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CCN1C1CC1 733854449 RQSFHIYCORNMIP-HXUWFJFHSA-N 444.495 1.422 30 10 IDEE C#CCN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[C@@H]1CCS(=O)(=O)C1 736069012 FMXKUOWYFWSSAI-CQSZACIVSA-N 430.935 1.142 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cnn1CCO[C@@H]1CCCCO1 759171498 FBZIKQBGZFEPJP-LJQANCHMSA-N 432.502 1.866 30 10 IDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760402849 YDXQTKIAMDGOJF-GJZGRUSLSA-N 438.550 1.653 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSC2CCN(C(=O)OC(C)(C)C)CC2)CC1 778333070 ZQUBOZNEYXSOSY-UHFFFAOYSA-N 440.610 1.566 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCc2cnccn2)C1=O 790739212 NPKSLMYJPVMWFS-MRXNPFEDSA-N 432.575 1.780 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnnn3Cc3ccccc3)cc2)CC1 793005507 VEDANVRCAVWSIL-UHFFFAOYSA-N 439.545 1.709 30 10 IDEE C#CCC[C@H](O)CNC(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 798465820 KWBQTCNEEDVRBC-GBESFXJTSA-N 429.517 1.744 30 10 IDEE Cc1ccncc1N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 799057736 TUWNXTGNRCQIEG-MRXNPFEDSA-N 427.530 1.556 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(-c3ccc(F)cc3)c2=O)cn1 839202746 DWMHRKVPVHSVAQ-UHFFFAOYSA-N 446.467 1.308 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1OCC 917925603 IZOHSSSVBUZNPW-CYBMUJFWSA-N 436.349 1.659 30 10 IDEE COc1cc(CNC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc(OC)c1 1083944094 AYPKZASEEYSRDF-UHFFFAOYSA-N 444.521 1.718 30 10 IDEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NCc1ccccc1 1084128121 YZQNTKCPFDFXCT-UHFFFAOYSA-N 426.462 1.755 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 1132668230 HQSGFVZMGZOKCS-UHFFFAOYSA-N 427.482 1.967 30 10 IDEE C=CC[S@](=O)(=NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 1134654327 CRBOTKDZVSIBML-GDLZYMKVSA-N 447.538 1.660 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1148505953 RBBJQBITBFNLEY-SUMWQHHRSA-N 446.451 1.380 30 10 IDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1149175998 FFAGOLLVGINOMQ-IBSYWUHOSA-N 428.489 1.839 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)c1 1149475955 OSWMRXPLIYVVJU-GOSISDBHSA-N 434.905 1.174 30 10 IDEE Cc1ccc(C(=O)NCc2nc(O)c3c(n2)CCOC3)cc1B1OC(C)(C)C(C)(C)O1 1152715953 DXWUFBRYLZOWJN-UHFFFAOYSA-N 425.294 1.793 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)[C@@H]2C1 1154384642 OHGJIXCNDRCOFX-HOTGVXAUSA-N 437.493 1.966 30 10 IDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C1CCCC1 1161440310 GFMDIWUMAMIMBC-UXHICEINSA-N 433.578 1.598 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)C1CSC1 1166131275 IEQJEGBZICAGHT-UHFFFAOYSA-N 437.543 1.881 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)NCc3cnn(-c4ccccc4)c3)CC2=O)cc1 1251342183 KDFVBVWAJCKERJ-LJQANCHMSA-N 443.463 1.956 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)c2ccc(Br)cc2)CC1 1255917171 XJSOWMDBSPCVKB-AWEZNQCLSA-N 443.367 1.347 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CC)CC1 1286663017 DOXPCGFAOQHGKC-VQIMIIECSA-N 427.571 1.174 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286709744 CUFBKWIZYNAUED-QGZVFWFLSA-N 426.525 1.247 30 10 IDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1286728905 KCGKVJUJACCYRL-MRXNPFEDSA-N 435.550 1.912 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(Cl)nc3C2)nnc1[C@]1(OCC)CCOC1 1286793115 SEYGVIAJLOOJTQ-NRFANRHFSA-N 446.939 1.844 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@H]1CCOC1 1300286227 GJORSOAQALUPJX-ZWKOTPCHSA-N 436.520 1.822 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1300557125 PXWGJRKBYMFTMM-GOSISDBHSA-N 431.566 1.255 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 1300673490 MHSOFOBEHJYEFT-UHFFFAOYSA-N 425.581 1.376 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1300681411 OPOOTTREKNVMMB-FQEVSTJZSA-N 429.613 1.636 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2sccc2C)CC1 1300710512 DOAIMWDSFAYCEE-UHFFFAOYSA-N 442.589 1.995 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1300897143 OKNVKKAPSXGKDW-JTAQYXEDSA-N 447.580 1.970 30 10 IDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300957289 RSVUFBDZHIDJOC-UHFFFAOYSA-N 436.520 1.897 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN1CCCC1 1301297277 ONHROTBMUYUBPM-KRWDZBQOSA-N 440.614 1.355 30 10 IDEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1=O 1302585130 DVGQKZYUWXZUAR-ICSRJNTNSA-N 427.524 1.679 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NCc2ccccc2)C1 1302982061 FERFZSZTVHMHGD-QFIPXVFZSA-N 439.495 1.549 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)OCC)(C(F)(F)F)CC2)cc1 1304224060 RGDDIGRCPMLBHZ-UHFFFAOYSA-N 446.447 1.946 30 10 IDEE C[C@H](CC(=O)N1CCC(CO)(C(F)(F)F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1304305261 TYXKPRRKYBGUAY-GFCCVEGCSA-N 433.452 1.667 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1 1305092963 ASAJRPWLDUPPNM-NDEPHWFRSA-N 440.591 1.025 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)CC1 1313994436 OFFDZPUZKCXKGZ-UHFFFAOYSA-N 441.536 1.721 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCN2CCCO)CCOC1 1314119368 HCAYCDVCCAQKFG-WTIAFYNJSA-N 446.596 1.907 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1314993004 YITQQGXCSYXWQT-MEUCICPISA-N 443.552 1.356 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1358889662 FIQPWUWHWBGJRC-WMLDXEAASA-N 437.953 1.771 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2Cc2cnn(C)c2)c1 1358902381 MAUXGFVSQSCHSA-UHFFFAOYSA-N 427.472 1.573 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1358978390 LKFYTVMQVJYDJZ-UHFFFAOYSA-N 428.537 1.554 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCN(CC)CC1 1358980649 DXEAILIOZDAPIC-UHFFFAOYSA-N 444.587 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1358994436 NGJKSDVSZMBETI-QUCCMNQESA-N 429.590 1.660 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@@H](C)C1 1359000156 NIYFLUAQEDYQOJ-SFHVURJKSA-N 425.537 1.886 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1359009869 ATMOBDPBIUSIMI-FXAWDEMLSA-N 441.598 1.258 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN2CCOC2=O)CC1 1359036686 FIVQJKMSMOUXKU-UHFFFAOYSA-N 426.496 1.606 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2conc2COC)CC1 1359044174 YGBKAIRRABFDHB-UHFFFAOYSA-N 449.515 1.797 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359123720 JGUQYRUKUHLGMM-UHFFFAOYSA-N 442.524 1.034 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359303126 FESVSUVYRIGNIO-UHFFFAOYSA-N 431.585 1.897 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359303670 WXSBGVZARUWRDL-UHFFFAOYSA-N 448.556 1.826 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](C(N)=O)C1 1359328805 OSIIWRUWMBSMAE-OAHLLOKOSA-N 429.502 1.604 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)CN(C)C 1360215504 OMQONRULJFAMFP-UHFFFAOYSA-N 440.552 1.539 30 10 IDEE C=CCn1c(SCC(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)nnc1-c1ccc(Cl)cc1 1438548761 QAEABDBNKZTYRH-GASCZTMLSA-N 445.932 1.950 30 10 IDEE C#CCCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CC1 1442682962 UMXWGKLGXUIHKM-KRWDZBQOSA-N 439.603 1.455 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1450164760 LIWHILJNZUHNKZ-ROUUACIJSA-N 433.461 1.048 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Oc2c(C)nn(CCC#N)c2C)C1=O 1463283677 ZSXZXAYTVBJEJC-NRFANRHFSA-N 425.445 1.795 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCS(=O)(=O)c2cccc(C#N)c2)C1 1473690011 VQMMQNOGAWVQDQ-UHFFFAOYSA-N 448.545 1.143 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1502637883 AOFDTXATBMTDND-DHIUTWEWSA-N 438.532 1.917 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1503280177 IUHRXMBXVBKTJK-UHFFFAOYSA-N 430.534 1.373 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1503500269 JICNDMCKHMTLQN-KRWDZBQOSA-N 433.476 1.175 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1505321445 AVDUOCHTBNIJSG-ARFHVFGLSA-N 444.458 1.164 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC(=O)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507622168 GQSKIBWXGCQUQV-LJQANCHMSA-N 443.573 1.687 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1507631113 BIQMDKKDRGVPFH-HOTGVXAUSA-N 435.575 1.530 30 10 IDEE C=CCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OCC)CCOC1 1508067671 NJDHFKVGWWIOLS-OAQYLSRUSA-N 426.525 1.356 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1 1508072099 HNOQGQRWVNTGJN-UHFFFAOYSA-N 430.534 1.264 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1508100557 LQNCWBAXNWBZBH-JXFKEZNVSA-N 438.532 1.899 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(C)noc2C)C1 1508114281 KGNFEUDCWOXYAL-GOEBONIOSA-N 438.554 1.517 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1513248076 XTKVIDZSAGIMEU-RTBURBONSA-N 447.561 1.610 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1515098365 BVDNAMXLIKEAAW-IBGZPJMESA-N 437.548 1.501 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1515771313 FQBDGDAEXUKWST-UHFFFAOYSA-N 442.549 1.449 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1517623489 ARSDMXXRERCWHY-UHFFFAOYSA-N 440.275 1.753 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1521136619 GXGVLKAORBBTMN-GOSISDBHSA-N 449.508 1.550 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)c2c(c1)OCCO2 1539179426 ONOIYBYAQHUCKG-CQSZACIVSA-N 436.921 1.723 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539212786 XYALXUXVVKWNMR-QUCCMNQESA-N 443.573 1.293 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539225317 MUWGHINRDHZAJX-XLIONFOSSA-N 442.589 1.373 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1539239568 MXDLNRAOEKZIEW-AWEZNQCLSA-N 437.928 1.996 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC=C 1539323758 KULIXAZUWUHODD-UHFFFAOYSA-N 432.532 1.217 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1539430466 KFGJEWOIDLQTOH-NJYVYQBISA-N 432.613 1.878 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1539480816 FHNSSJWMIVBGQZ-CTNGQTDRSA-N 442.608 1.870 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCN(C(C)C)CC2)CC1 1539828286 HGFLBARXBBDJNG-QGZVFWFLSA-N 440.614 1.280 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539981667 IEIJMDIVQUYOKV-INIZCTEOSA-N 438.598 1.836 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 1540472115 DDOLLDKGPYGBIQ-LJQANCHMSA-N 448.545 1.974 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2)C1 1540861962 NCIGRLBCQZWGNF-KRWDZBQOSA-N 438.536 1.292 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@](C)(CC)C1 1540866170 FGUDJYDXCKLYAW-OAQYLSRUSA-N 437.508 1.228 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS(=O)(=O)C1 1541454921 JPUJUIRYHGRJOC-HNNXBMFYSA-N 444.561 1.836 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1541803477 IPSXRGLNGAZLFV-HUUCEWRRSA-N 435.529 1.413 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=CCS(=O)(=O)C2)c1 1543195511 JUKFUYCETZHZRD-JZJYNLBNSA-N 425.532 1.573 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1 1544508378 DQDORXWWIRJRIY-VQIMIIECSA-N 440.525 1.646 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1547255477 LJLBKAVHIUUFCM-GOSISDBHSA-N 438.536 1.292 30 10 IDEE CCOC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1547826169 CRAVXQVDKTWDBA-MRXNPFEDSA-N 440.570 1.166 30 10 IDEE CN(C)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1552795000 GPMQFMCKAZWCOC-SFHVURJKSA-N 441.492 1.693 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCN(c4ccncc4)C3)CC2)cc1 1558909406 FWSRQAXQENCZDP-SFHVURJKSA-N 425.514 1.313 30 10 IDEE Cn1c(N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(C#N)c(=O)n(C)c1=O 1559293663 IDRMWXJMYXUBPV-OCAPTIKFSA-N 432.271 1.563 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1587615102 QOOXUISZKWYIRV-HNNXBMFYSA-N 445.593 1.858 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1588029643 JXMANPCWRMNVCV-INIZCTEOSA-N 432.594 1.935 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588263637 YSPAOEHCYACDCU-MRXNPFEDSA-N 444.502 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnc(C(C)(C)C)s2)CC1 1588806217 JVCBTVPXRIGVBM-AWEZNQCLSA-N 428.566 1.182 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588836618 MPEFYYICFRJSAO-AOMKIAJQSA-N 431.487 1.442 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1589581457 SKBPOALVJQPTER-KQZHTCIUSA-N 447.580 1.967 30 10 IDEE CC(C)(C)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1597206238 SZQVHWPBBDNLJX-WMLDXEAASA-N 433.534 1.944 30 10 IDEE CC[C@H](C)N(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1613412921 FIQFHPTZVBFKHW-GVDBMIGSSA-N 441.602 1.080 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC(=O)N=c3cc[nH]cc3)C2)C1 1626762897 GXFQDYSSUHZMCD-JXORXQGFSA-N 427.505 1.735 30 10 IDEE C#CCN(CC#C)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1634200555 UDLDVHKLGHQDAW-UHFFFAOYSA-N 436.306 1.844 30 10 IDEE C#CCN(CC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C(=O)OC(C)(C)C 1635838540 RVJRITASPBOVEE-MRXNPFEDSA-N 431.489 1.298 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCOCC1 1637128173 MCRWFHHFMFWPQL-SFHVURJKSA-N 443.928 1.923 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(=O)n(-c3ccccc3)n2C)s1 1646068816 VJMQLIRPEULSOQ-UHFFFAOYSA-N 446.554 1.561 30 10 IDEE COc1ccccc1N1C[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1=O 1654811838 OWHLFHWVRCCCKZ-HNNXBMFYSA-N 437.452 1.952 30 10 IDEE O=C(CN1CCN(CCc2cnccn2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1659898474 CWIMXXPVIKONPS-UHFFFAOYSA-N 431.462 1.823 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1680699947 JSQHEBFXSQESQJ-ULQDDVLXSA-N 445.582 1.691 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCCn2ccc(O)nc2=O)CC1 1687804814 HRQLWALXCAEKAB-UHFFFAOYSA-N 433.472 1.291 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1689848769 BGWKMYAEHCQYQM-FUHWJXTLSA-N 429.546 1.692 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1690019761 QWSTUYYZYRQNIU-IAGOWNOFSA-N 430.505 1.860 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1690109156 IKIVTYSKRNBYGO-WOJBJXKFSA-N 428.581 1.865 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCOCC2)CC1 1690119470 GKGPHRDNKFTRGE-UHFFFAOYSA-N 426.496 1.122 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1690236496 NNOKYNFDZXZWKA-IEBWSBKVSA-N 439.520 1.575 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690308116 BIDKYNGOZNUJMP-GOSISDBHSA-N 427.509 1.155 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1691001243 FSEPZZJKPBEVNV-OXJNMPFZSA-N 428.566 1.539 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)(F)C2)n1Cc1ccc(C#N)o1 1692825963 SQGKOFZIETVDLJ-NSHDSACASA-N 428.465 1.883 30 10 IDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CCC1 1695918159 BPVRAFAGYQSONJ-QFIPXVFZSA-N 435.532 1.825 30 10 IDEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1696504675 VIYHDQODRIRLKD-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1=O 1696886938 XERJLUQEAQFGGH-XMMPIXPASA-N 449.559 1.990 30 10 IDEE COCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1697727637 OBAADYFUZIENPL-KRWDZBQOSA-N 438.536 1.495 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3csc(C)n3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1698078546 HEPFOMSPXLIOGC-GOEBONIOSA-N 431.566 1.867 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc([C@H](C)O)cc1 1698255452 SKPSZLBVAJBXOO-QLIIJSOBSA-N 427.505 1.832 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCNC(=O)c2cc[nH]n2)c1 1705507137 SPDDHMHKOKXQSA-UHFFFAOYSA-N 448.531 1.686 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1705534219 BYYADTIOXQATLE-SJORKVTESA-N 447.536 1.999 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1705571629 DJBLRAXUKRANEI-UHFFFAOYSA-N 432.528 1.472 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCn2ccnc2C)CC1 1705634657 FNVQPWWFHZTDFG-JOCHJYFZSA-N 427.553 1.281 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705828728 XEBWGXRFJKXSTP-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705879992 QTDSBVOLVIEDKR-OXJNMPFZSA-N 436.534 1.160 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705902480 FTAKHOBIFMEHGE-ZHRRBRCNSA-N 429.496 1.711 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1705933490 IULYYLULWLYYDO-KRWDZBQOSA-N 428.562 1.948 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC2(CC1)CNC(=O)C2 1705933575 LSRJHLGOJQGUKQ-UHFFFAOYSA-N 433.534 1.554 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1 1705974121 GRRJAPBRYFLUFJ-WOJBJXKFSA-N 435.532 1.996 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1706188198 OAKHTMYXMQIJKN-ADSBAMQRSA-N 436.513 1.995 30 10 IDEE CCN1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1710260154 MYHVRXYJYWAXDX-ZZEZOPTASA-N 427.509 1.131 30 10 IDEE CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1712734782 XTTHIWJVJXZVFF-ZBFHGGJFSA-N 426.550 1.574 30 10 IDEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2CCC(=O)N2CCOCC2)cc1 1712878356 CZZQBJNHYLILOC-UHFFFAOYSA-N 438.532 1.807 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722351152 HODSFBVXMIIDAO-BDXSIMOUSA-N 431.537 1.876 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722366597 INPAGGRJQXGARW-FQEVSTJZSA-N 449.621 1.675 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1722367111 KOVIOPLMMDHBPH-HOTGVXAUSA-N 439.607 1.245 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722368196 PMWJVFKXRCOSNG-RBUKOAKNSA-N 444.557 1.660 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCO[C@H]2CCOC2)CC1 1722438754 AOYPDSHCHKINGT-FQEVSTJZSA-N 427.524 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(N3CCSCC3)CCCC2)CC1 1722445196 UCIYPORLXDJMOC-UHFFFAOYSA-N 430.622 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cnn(CCOC)c2)CC1 1722445219 MROAQFVBIAHOLQ-UHFFFAOYSA-N 448.531 1.197 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccccc1 1722446569 DMQUGFLLPLIVQV-HSZRJFAPSA-N 437.500 2.000 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1722457875 QIVDTWLYLINZCW-UHFFFAOYSA-N 442.570 1.127 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1722459786 RAVSYWKNUVQREE-SJORKVTESA-N 442.607 1.177 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722493893 LETVRDDBLWUCFO-BVZALQNUSA-N 444.580 1.894 30 10 IDEE C=C(C)COCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1722538614 RPMAIUPFSJDQKA-JOCHJYFZSA-N 444.536 1.179 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722699308 FZZLOEGAUGVAOP-OAQYLSRUSA-N 446.458 1.480 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1c(C)nn(C)c1C 1722727256 NAUQKRFFJFOGLQ-QGZVFWFLSA-N 436.582 1.760 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1722728159 UVRXRGQEHYBQTJ-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1729658757 KRMLYSIPKJOXPW-GOSISDBHSA-N 447.499 1.689 30 10 IDEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730672639 VBSDEDBBSGIUQS-MRXNPFEDSA-N 441.540 1.220 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1730758454 RCPPSLPGDJLWPL-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C 1730784522 BPKQZXKCOYXDTB-GAJHUEQPSA-N 437.548 1.452 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)n(C)c1=O 1740542394 UZPCWYBJTOKIPT-HNNXBMFYSA-N 429.488 1.434 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CCS(C)(=O)=O)c1 1740561783 IRXBZFXPFRMQEA-UHFFFAOYSA-N 441.513 1.947 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1740623526 WBGWQSIMSUUJIU-WOJBJXKFSA-N 449.621 1.409 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1740687352 ALTUGWLVKUVFJW-RCCFBDPRSA-N 438.594 1.717 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1740712154 YPEOGVSAVBZCNY-UHFFFAOYSA-N 444.517 1.515 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740750840 FYYHONUDKGCEHG-FHWLQOOXSA-N 446.596 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnccn1 1740752557 XWDYSYPTYFACOI-UXLLHSPISA-N 435.554 1.296 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1740758122 ULPSXBMBKDKQSD-PXNSSMCTSA-N 428.537 1.560 30 10 IDEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740778480 FZYYJQLGYXHLRO-UHFFFAOYSA-N 438.532 1.801 30 10 IDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1740885434 GZBHCULDLPWKFE-GOSISDBHSA-N 440.552 1.356 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1740960414 RCGMYCNHIYXANW-CVEARBPZSA-N 430.484 1.666 30 10 IDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1740997935 DWXDNALDWWYENF-UHFFFAOYSA-N 439.589 1.994 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1Cc1ccc(C#N)o1 1741675652 GZXRMFYHBUBONJ-UHFFFAOYSA-N 439.455 1.185 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(C)(=O)=O)cc1C 1742249385 CLUVOLATVYXTQQ-LJQANCHMSA-N 434.497 1.634 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1747867456 BLXTUKAXCPSIGU-CZIZESTLSA-N 425.493 1.662 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1748700166 YUJWISIFHUPLRX-BXWFABGCSA-N 425.555 1.076 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)N1CCOCC1 1748874654 BGRKOIJGHZHIHN-HXUWFJFHSA-N 426.565 1.334 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1748892671 UTXWNACKTZEJGN-KRWDZBQOSA-N 447.586 1.593 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C(C)C 1748914247 CYISHIWGJFKUJJ-UHFFFAOYSA-N 432.594 1.995 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCOCC1 1748914275 HQNJWTRYOYAYSR-UHFFFAOYSA-N 445.589 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCC2)CC1 1749015868 QEMBNDXTIRXFOF-UHFFFAOYSA-N 437.544 1.780 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1749268822 HQGRQEFXXBNXSF-HNNXBMFYSA-N 447.989 1.616 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1749368878 SGXNOSCNVGQNKG-IAGOWNOFSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749657708 BJGBXCHZNMGOJB-GJZGRUSLSA-N 430.534 1.377 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749659693 HUZGRHVUPZOCQN-UHFFFAOYSA-N 446.515 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccn1 1749721972 XVYBBDAFPZOKSV-UHFFFAOYSA-N 441.517 1.558 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749734924 NZJJFBIWLVPPJT-MCIONIFRSA-N 438.472 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749736913 SKWAGTCBPTWRQD-MOPGFXCFSA-N 431.562 1.870 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1750215134 POKJKDAHSZKRHY-MOPGFXCFSA-N 444.561 1.761 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1760174026 CNGZGQKYUFSCLP-HXUWFJFHSA-N 443.573 1.130 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)O)CC1 1760260745 AIBSCMNGQAZMNK-QGZVFWFLSA-N 448.568 1.113 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1=O 1760288515 FKBDCJYWCZJLBJ-OXJNMPFZSA-N 436.582 1.283 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cncn2)CC1 1760313366 MYPCNHBNYSFKMF-MOPGFXCFSA-N 442.568 1.906 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N2CCOCC2)CCSC1 1760467719 SLAIPZDHMVXGLY-NRFANRHFSA-N 431.610 1.970 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1762033884 CTLUXJYGYWSPHL-JKSUJKDBSA-N 446.577 1.991 30 10 IDEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1763866928 SWDQBTSBZAJZFK-CEXWTWQISA-N 427.505 1.992 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1764690866 FJPBBIAVOMCWIU-HZPDHXFCSA-N 449.556 1.661 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1766311407 HFYGFWOOGXSIRO-UGKGYDQZSA-N 428.512 1.871 30 10 IDEE CN(Cc1cnccn1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767146973 ZNUPZJZXHZWREZ-QZQOTICOSA-N 436.520 1.964 30 10 IDEE CCOCc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767829931 HFNKKFWAZXJOHZ-QBEKEKFNSA-N 444.536 1.594 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1770106291 GFYQOJUUSDZENJ-DENIHFKCSA-N 427.505 1.864 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1771251968 DLRAQXFUQNILIX-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1771539171 PGZKEZMOXBELIE-ARFHVFGLSA-N 444.458 1.512 30 10 IDEE C[C@H](O)C[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 1848437864 NRDGFMRATGBIKW-GMOPGMNJSA-N 446.540 1.688 30 10 IDEE CN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)c1ccc(C#N)cn1 1851624940 KWNMZVWMQFWHSI-HXUWFJFHSA-N 437.525 1.739 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H](CN2CCCC2=O)CS(=O)(=O)c2ccccc2)CC1=O 1852375503 FBTHMHFJHHSMKJ-SJORKVTESA-N 434.514 1.029 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cccc(C#N)c2F)CC1 1853057024 INOZEWHZAWDIDE-KRWDZBQOSA-N 445.520 1.833 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1856412287 QJIFIOYAYLIRTJ-PKOBYXMFSA-N 432.546 1.593 30 10 IDEE CC(=O)N1CCO[C@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@H]2C)C1 1857474301 PMQOEUYJJIJOOK-RHSMWYFYSA-N 432.908 1.326 30 10 IDEE COC[C@@H](C)OC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858964715 JQXUCOAQGIWGEO-CQSZACIVSA-N 431.470 1.938 30 10 IDEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCOCCO)c(C#N)c(C)c1C 1870185640 DWAUNQUCUJKCIK-UHFFFAOYSA-N 446.529 1.206 30 10 IDEE COc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)cc1 1873527068 JZZXMTSBJCNMFK-VGTRTNLYSA-N 441.307 1.820 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873594511 UYPJSMXTZQHTNF-HDICACEKSA-N 442.564 1.683 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1962345870 JSRTUTQQHZXHHY-HNNXBMFYSA-N 433.324 1.852 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1964924006 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CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255819006 UIIZLOGOJGKYMG-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2255865422 HIWVIGOXTOEGOS-HUUCEWRRSA-N 430.314 1.610 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 2267176645 CLADGYPVSVIICY-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267265996 MRBLQBDZDUJKTM-CQSZACIVSA-N 449.361 1.586 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2267271038 PPMKIWWXELFCGQ-UHFFFAOYSA-N 441.259 1.912 30 10 IDEE Cn1nc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267536466 JLKLFBLHHXEJGV-GOEBONIOSA-N 446.357 1.801 30 10 IDEE Cc1nc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCOC2)ncc1B1OC(C)(C)C(C)(C)O1 2268654754 DEBGQDSMZNIMDL-OAQYLSRUSA-N 448.329 1.707 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@@H](C#N)CC12CC2)NC(=O)OCc1ccccc1 2288539206 GXYARORTBSDZCY-IAGOWNOFSA-N 435.502 1.552 30 10 IDEE COCCc1nnc(SCCO)n1N=Cc1cc(Br)c(O)c(OC)c1 2331311507 OPRJWCLIXRMDHP-UHFFFAOYSA-N 431.312 1.910 30 10 IDEE C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)Cc2ccccc2C(=O)O1 13028055 YGGDLZKQMXIXBO-JOCHJYFZSA-N 439.493 1.563 30 10 IDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc(O)cc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103124209 XHUSNXCKEGMKPH-LYHOESIGSA-N 428.397 1.731 30 10 IDEE N#Cc1ccc(OCCNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 431530551 HVUBJTGIQGJUJG-UHFFFAOYSA-N 427.482 1.933 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 434513424 KKHRJGAUSWIMNW-UHFFFAOYSA-N 441.517 1.487 30 10 IDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)C1 478142997 GXOGHZGHVZODDB-IAGOWNOFSA-N 436.553 1.649 30 10 IDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccccc1C 481393744 ZOBPVAXLGUWRSM-UHFFFAOYSA-N 429.546 1.849 30 10 IDEE CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@]2(CCOC2)O1 483182977 UVDDFOIGIKHVMC-REWPJTCUSA-N 430.524 1.804 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 492320527 NRYRFJQNMDWENQ-QFIPXVFZSA-N 434.540 1.994 30 10 IDEE Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@H](C#N)c3ccc(Br)cc3)[nH]c21 499434661 LXZMAESSMQUIJZ-LLVKDONJSA-N 431.250 1.438 30 10 IDEE C[C@H](C(=O)N(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)n1cccn1 503680325 NJNNUSFTBIFUGS-RHSMWYFYSA-N 426.502 1.314 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(C(F)(F)F)c1 515742131 DCMLJLKSGULKMH-CQSZACIVSA-N 431.436 1.837 30 10 IDEE CC(C)CN(C(=O)CN1CCCN(c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 524156175 PTGXPBXVAVEFGK-FQEVSTJZSA-N 432.590 1.742 30 10 IDEE C=CCNC(=O)CN1CCN(c2ncnc(CC(C)C)c2I)CC1 557485468 RAOBXEIDXYREJW-UHFFFAOYSA-N 443.333 1.704 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 578215027 HWLGZNLZTCLLQQ-RXVVDRJESA-N 435.532 1.724 30 10 IDEE CCNC(=O)C[C@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 581420509 FIRRUEWTTALDKW-QZTJIDSGSA-N 425.489 1.671 30 10 IDEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)S/C2=N\CCc2ccccn2)no1 730144285 JFTBGRIJFVQGQR-GOTYSUTNSA-N 444.561 1.489 30 10 IDEE N#C[C@@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1nnc2n1CCCCC2 732496456 WABXFNDOJQNKJV-FXAWDEMLSA-N 432.484 1.656 30 10 IDEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1NC(=O)c1cccnc1 732706122 FXTPRFLBFIKFOY-SFHVURJKSA-N 448.483 1.480 30 10 IDEE CCOc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771553798 PRGZILVFJIQZRX-INIZCTEOSA-N 443.533 1.452 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cn1 774296921 JLDZPDHNISGQFG-HNNXBMFYSA-N 437.566 1.251 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)/C=C\c4ccccc4C#N)CC3)C2=O)n(C)n1 780561007 KEQKQJPBWJPLSU-VFCOFNOGSA-N 432.528 1.953 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ncc(C(F)(F)F)s2)CC1 788427880 IVBHFWHZADVYMY-UHFFFAOYSA-N 434.469 1.939 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 790296474 MRGBUFLJLDQHKQ-UHFFFAOYSA-N 447.511 1.373 30 10 IDEE C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 795969206 IGVUHXAMQLNRAK-CQSZACIVSA-N 444.469 1.158 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)c1 800397407 RQJXAIZVBVVYCJ-NGCVJSHCSA-N 433.283 1.453 30 10 IDEE C#C[C@H](C(C)C)n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191721 GBPXIUZZGVUKKL-QGZVFWFLSA-N 430.559 1.924 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)ccc1OC 806803914 BIXAWNBBGGRZCT-SJORKVTESA-N 438.550 1.942 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(CC(N)=O)cc2)C1=O 809942470 UYVHTNWXIZBNQO-SFHVURJKSA-N 435.509 1.854 30 10 IDEE CCOc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)cc1 813562913 NIGWQHMXPYMQSJ-WMLDXEAASA-N 449.577 1.219 30 10 IDEE CC(C)[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)c2ccccc2C1=O 916775779 PQOFWWZYXCFJGY-SFHVURJKSA-N 425.466 1.825 30 10 IDEE CCNS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccco3)n2)cc1 1084272544 HYNMTJYAKZPHBN-UHFFFAOYSA-N 449.518 1.873 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cncn3)n2)cc1 1125202246 IGDAAKVHBRVRLM-HKOYGPOVSA-N 425.474 1.727 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)COc2cccc(Br)c2C#N)C1=O 1126808899 LHFCYFHAULUXSN-ADLMAVQZSA-N 435.278 1.536 30 10 IDEE C#C[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C1CCOCC1 1131257474 PTCCIGVDZQVVGO-RTWAWAEBSA-N 432.542 1.977 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 1140248924 UXIYRAQAJQEJCI-RBUKOAKNSA-N 448.541 1.993 30 10 IDEE C#CCCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1147843857 QTISWWXRNMSLNV-HXUWFJFHSA-N 449.573 1.320 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)s1 1159195501 STEQCUQLZBPKBC-GOSISDBHSA-N 438.575 1.509 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1163263315 GNVQZOWSTPWAAV-VLIAUNLRSA-N 436.497 1.517 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)n1 1230369064 HGZRTHGNCWWGJJ-QGZVFWFLSA-N 429.496 1.800 30 10 IDEE N#Cc1ccc(CCNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1230917137 BHYAKQPTOZOWHH-UHFFFAOYSA-N 427.530 1.463 30 10 IDEE C=C[C@@H]1CCCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1252759274 CACKEZGMOLDIDT-GOSISDBHSA-N 436.578 1.897 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)n1 1256419853 JPEPRNHLNFAISG-INIZCTEOSA-N 448.545 1.848 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1286476695 FEDOFWWRRFCCPU-UHFFFAOYSA-N 447.490 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2c[nH]nc2C)CC1 1286493234 MLLLMDWNPMGMNE-FQEVSTJZSA-N 439.564 1.802 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnccn2)CC1 1286614949 FGLPURIKAJLNIG-ICSRJNTNSA-N 443.552 1.711 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286628775 GFTKHVZJVUKFKH-CYBMUJFWSA-N 436.987 1.336 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286638226 XIIPJSFUDJGITK-FGTMMUONSA-N 440.614 1.544 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccc(O)cc2)CC1 1286645526 DXEMVJQTNVWDLJ-IBGZPJMESA-N 447.561 1.716 30 10 IDEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286703311 JETVRMFPAGBXHG-GOSISDBHSA-N 438.532 1.185 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1286797808 BOLQJFICCGIFTJ-QGZVFWFLSA-N 447.561 1.649 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286821119 ARIICVUTKFFVOI-CQSZACIVSA-N 441.579 1.286 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1286821265 FVCLEUAJJBJFNA-UHFFFAOYSA-N 445.549 1.505 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286825094 LMZQYLBKPILYLD-QKLQHJQFSA-N 442.582 1.533 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286833306 ZDBTVRFFBANENS-KRWDZBQOSA-N 442.593 1.941 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1287114339 GMCLFNSBGZWAPO-UHFFFAOYSA-N 425.493 1.218 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1)N(C)C 1288606549 FUSJYWTVHILVMB-QGZVFWFLSA-N 436.564 1.167 30 10 IDEE Cc1nc(CN2CCCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)CC2)no1 1290467497 AKOBDQQOTRVOSW-UHFFFAOYSA-N 449.519 1.309 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H](C)N3CCOCC3)CC2)c1C#N 1290576130 APKZUMLPZHQSIA-KRWDZBQOSA-N 441.584 1.362 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC(O)C1 1297334769 LLGSIHGBGRGMIN-OTQYULQBSA-N 442.516 1.441 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1300310765 OJRAFJJDHNZAJS-PKOBYXMFSA-N 446.577 1.405 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCn2ccnc2C1 1300544701 CGPKIDLPSYQRIB-QGZVFWFLSA-N 433.541 1.802 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1300780748 VZHSZGXCJQDOHB-KPZWWZAWSA-N 439.492 1.656 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccncc2)CC1 1301123353 BQNPFYOUAFUPPU-LJQANCHMSA-N 446.577 1.651 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@@H]1CC 1301295883 BRDSTAMGIHZUKJ-ZWKOTPCHSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301514236 HFWUCJUHCYGBDE-FDDCHVKYSA-N 441.532 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301577504 KIBKGDWIVMSCIR-OXJNMPFZSA-N 435.550 1.269 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1304739984 DFGQVLAPZMBDHF-VXPUYCOJSA-N 426.525 1.758 30 10 IDEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 1317760657 KKNOTSSHSPZMQD-KRWDZBQOSA-N 434.521 1.517 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1 1358877170 YJGROEPDKCYITM-IIBYNOLFSA-N 447.561 1.459 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358895582 MAXLUAOXJFOHBY-RDJZCZTQSA-N 426.496 1.342 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358961473 ZWNABVRZRZEBDH-WBVHZDCISA-N 430.534 1.177 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2[C@@H]2C[C@H]2C(C)C)n1 1359028199 KJNOEEWSWBZKHQ-IPMKNSEASA-N 425.537 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(F)(F)F)CC1 1359041768 HXMVCRAXAYUUHR-IBGZPJMESA-N 443.470 1.847 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359052547 IRXVWUNWUMEUEE-HNNXBMFYSA-N 443.529 1.970 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1359070566 PHQIFMLAIRZGRF-DBXWQHBBSA-N 436.578 1.758 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)CC1 1359224183 JABYZNRSNPQFGZ-UHFFFAOYSA-N 428.522 1.082 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1359241649 XNFLWIQIUMEUNS-MRXNPFEDSA-N 434.541 1.735 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359297206 IRVMFPOFIWPACU-OAHLLOKOSA-N 433.534 1.269 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)COC)CC1 1359310013 JSQSOBWNKGRCDV-UHFFFAOYSA-N 449.515 1.643 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1359332541 ABWIFBAOAKUKEG-UHFFFAOYSA-N 431.562 1.794 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1359472727 PMQKBAFAAXGJBF-JKSUJKDBSA-N 437.504 1.593 30 10 IDEE Cc1cc([C@@](C)(O)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)o1 1361002134 AKZDXOIYWUIYOR-LEWJYISDSA-N 430.484 1.960 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1C(=O)CNC1=O 1443763087 SPPVYXUTBFGJND-KRWDZBQOSA-N 427.461 1.061 30 10 IDEE COCCOCCOc1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1463151133 UKGGZIAVVMXMBC-UHFFFAOYSA-N 433.486 1.406 30 10 IDEE N#Cc1cn(CCC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(=O)nc1O 1464482583 FKXYORNDVIFXHH-UHFFFAOYSA-N 432.362 1.732 30 10 IDEE Cc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1S(N)(=O)=O 1467662793 HUYLJRFQPVASBZ-HNNXBMFYSA-N 446.916 1.837 30 10 IDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1499969262 FICMBINOYIRWDH-PKTZIBPZSA-N 438.532 1.996 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCCO 1503646599 PGNAXVBWGNGOCV-KRWDZBQOSA-N 441.305 1.887 30 10 IDEE COC[C@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1504598230 YHLGIJAZUXBNEE-QGZVFWFLSA-N 442.499 1.092 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1507659808 FYAGKNDZIUZTSB-OEMYIYORSA-N 433.578 1.292 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1507678667 BHVZGDOYYNRORX-OAHLLOKOSA-N 433.534 1.557 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1507707063 RIYURDCMRGAVBS-HNNXBMFYSA-N 433.490 1.374 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507731165 CCODDNCKXQQEPU-HXUWFJFHSA-N 430.597 1.163 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(C)(C)O)CC1 1507740275 KQSDOURYLZMVKA-UHFFFAOYSA-N 427.553 1.267 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507747535 HTOPLLVBQZBCKF-GOSISDBHSA-N 441.605 1.743 30 10 IDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507930714 HTMRGTKTBBPXAG-UHFFFAOYSA-N 433.520 1.912 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](COC)C1 1508071733 LORVIRNKFGPOPW-MRXNPFEDSA-N 446.939 1.636 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C 1508090249 FMDKGMATCCYJOC-UHFFFAOYSA-N 434.504 1.709 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 1508100560 LQNCWBAXNWBZBH-OXJNMPFZSA-N 438.532 1.899 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCO[C@@H](C)C2)C1 1508111128 WNBULVWWJYTZRJ-OALUTQOASA-N 434.585 1.699 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCO[C@H](C)C2)C1 1508111132 WNBULVWWJYTZRJ-RTBURBONSA-N 434.585 1.699 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1508146977 GBRGIXZSMLTDQN-RBUKOAKNSA-N 448.637 1.980 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1508260170 MZFOMIRCROHMAK-SFHVURJKSA-N 446.458 1.821 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NCc1ccccc1 1509637553 GVNAJGCFJQCREW-NRFANRHFSA-N 427.484 1.565 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(OCC(N)=O)c1 1513916633 HSSKIKFEWMIROK-UHFFFAOYSA-N 446.515 1.346 30 10 IDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1516724167 GTJDMWWZMZTHMI-UHFFFAOYSA-N 429.500 1.790 30 10 IDEE COCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519035604 NMYKHXHXBVOKBU-UHFFFAOYSA-N 449.563 1.931 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1525322318 VGPAFDISFYFERG-QGZVFWFLSA-N 442.582 1.990 30 10 IDEE CC[C@@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1530450996 BZWTVGIQJXXAJJ-JTQLQIEISA-N 435.287 1.916 30 10 IDEE Cn1c(C#N)ccc1C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1532558392 NIPWQOLFQGLRBR-MSOLQXFVSA-N 443.504 1.941 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1534131726 AVEPCBZELCECLS-INIZCTEOSA-N 440.518 1.402 30 10 IDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1(Br)Br 1538539436 HCHMPXZGPGLDNW-LSJOCFKGSA-N 426.130 1.279 30 10 IDEE C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1538933611 PPSTWHXAOYCIQY-OAHLLOKOSA-N 447.561 1.736 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539200188 BEHXYADHZDZFNP-CYBMUJFWSA-N 449.499 1.632 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539226013 SGLIXTQAZIXHQU-AZUAARDMSA-N 449.621 1.358 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CC(OCC)C2)CC1 1539461700 IRDNNSGYPAJGNS-UHFFFAOYSA-N 443.523 1.681 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1540004699 DSYXVMWMDKTTIZ-IPMKNSEASA-N 437.610 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)OC[C@@H]1C 1540906912 GMYQTYCHZVXFBI-KRWDZBQOSA-N 436.582 1.744 30 10 IDEE Cc1ccc(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C 1542401088 OTDIRUGLPAJDHQ-KSFYIVLOSA-N 428.537 1.970 30 10 IDEE N#Cc1cn(CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c(=O)nc1O 1545632186 DZRRHEGWKWCSGT-MRXNPFEDSA-N 431.880 1.350 30 10 IDEE CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1548166417 ZDWKRGBCKMJFKR-GOSISDBHSA-N 427.509 1.070 30 10 IDEE C=CC[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCN1C(=O)OC(C)(C)C 1558806230 IKWGWLKPMMMGHW-OAQYLSRUSA-N 429.477 1.550 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2c(cc1Br)OCCO2 1561957139 QSYGXCVQMZMDIH-UHFFFAOYSA-N 429.336 1.938 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC(=O)c1c(Cl)cccc1Cl)c1cc[nH]n1 1570805389 WAOXDOTYNPGHCN-UHFFFAOYSA-N 427.244 1.999 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)n[nH]2)c1C 1584443357 PKFUBXGBZADIHC-LJQANCHMSA-N 427.553 1.749 30 10 IDEE C#CC[C@@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1587392721 SEMIJLMHRBAHCH-IBGZPJMESA-N 449.573 1.071 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1588124485 MQKHPAKQLCPHSF-XMMPIXPASA-N 446.511 1.460 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1588259105 QPMBNWOHYICFMW-UHFFFAOYSA-N 440.523 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](F)COC)CC1 1588899205 MRBYCOOHNJYUDU-KRWDZBQOSA-N 444.467 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(C(N)=O)CCCC2)CC1 1588913697 PTNYBTMIMVAMQN-UHFFFAOYSA-N 435.532 1.352 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1588993804 NKYRMNJOBFNQQT-OAHLLOKOSA-N 429.546 1.996 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1589496279 XEVIYBAWJFBIMT-NRKLIOEPSA-N 425.555 1.237 30 10 IDEE C=CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594703221 GLTWOLXBQGBBAX-UHFFFAOYSA-N 438.532 1.419 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1595466525 KJLALAUZPHGMPB-AWEZNQCLSA-N 429.912 1.760 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1595577270 NDSCIUMFQXKOMF-RTBURBONSA-N 436.516 1.894 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1598063348 UPFMMAYSKZHSIR-MRXNPFEDSA-N 446.577 1.848 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)OC)C[C@@H]12 1598329557 MXTRYUXHODORAM-XQZMSQOBSA-N 447.557 1.988 30 10 IDEE CN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1617922443 NLVBFICTJPOSNQ-XUTLUUPISA-N 432.488 1.841 30 10 IDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1624692262 HEPLAFNWVHDCQG-UHFFFAOYSA-N 433.465 1.481 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1626857091 WKNNDJOQHXSGDO-UHFFFAOYSA-N 433.461 1.407 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)cc1 1628561577 KLIJNRAWGDBOBQ-UHFFFAOYSA-N 432.523 1.809 30 10 IDEE Cn1cc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c2ncon2)cn1 1628632023 DZAQTWDTZCKPDL-YVEFUNNKSA-N 425.836 1.587 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC(O)C1 1632768301 DOFYLNZVZWBJOH-FRIYVGAWSA-N 442.516 1.836 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1636776977 YECKRCCCIBPVJW-UTKZUKDTSA-N 449.529 1.058 30 10 IDEE C#CCN(CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C 1637904446 JDUCTMDBYFQOEL-HXUWFJFHSA-N 442.560 1.358 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@H](CNC(=O)OC(C)(C)C)C3)CC2)c1C#N 1638884352 KSDPRJDULQVHPY-WKILWMFISA-N 431.541 1.735 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NC2(c3ccccc3)CCC2)c1=O 1641325481 JWAULDGCYNZRQG-UHFFFAOYSA-N 438.484 1.419 30 10 IDEE CN(C)S(=O)(=O)C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1652036481 CSAWOKYWEXMYQZ-UHFFFAOYSA-N 441.351 1.297 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)c1 1654618374 FFVSIZKSDGFUDX-UHFFFAOYSA-N 430.461 1.266 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@H]3OCCC[C@@H]3NC(=O)OC(C)(C)C)CC2)CC1 1654645887 JPRMKEPERKUHIL-RBBKRZOGSA-N 448.608 1.548 30 10 IDEE C#CCCCS(=O)(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1664563018 FXZDKLRZHGHTMV-UHFFFAOYSA-N 428.555 1.020 30 10 IDEE C#CC[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1683846779 JYZNYYDTRXSTTG-IBGZPJMESA-N 448.589 1.592 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689989774 IOWIYKAOVBBXLB-ZWKOTPCHSA-N 432.550 1.411 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690018005 QVKQZOWHCDDWTO-PKTZIBPZSA-N 433.556 1.860 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1690780144 HJPVBCBUVUSKBI-RJCBAWPRSA-N 429.525 1.233 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690838898 XVXXJGDKGYXIPK-CZIZESTLSA-N 439.476 1.041 30 10 IDEE CC(=O)NCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1690968949 JNQKRTABQLKOQO-CQSZACIVSA-N 436.314 1.301 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1691001250 FXGLQURIXOZGAO-PBHICJAKSA-N 448.531 1.703 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCn1ccnn1 1692546997 DCRYCVWNRFAROZ-MOPGFXCFSA-N 433.520 1.842 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1692767853 ZDNNIVSYEFGUSX-CRAIPNDOSA-N 448.549 1.202 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696229436 XWJXPVISXAQMHT-UFVMTTLYSA-N 437.504 1.872 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)Br 1698255486 SYOQLAICFMBTDB-SRVKXCTJSA-N 436.257 1.719 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)C1 1698483699 IHTBMTNPTPRVSG-CABZTGNLSA-N 442.261 1.610 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1705491267 AJHIUJNKQXUSEK-IERDGZPVSA-N 427.578 1.778 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705526242 HINXRNSVHMAQBX-UHFFFAOYSA-N 447.561 1.894 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1705551055 FQEHMPNJEQFIAE-LJQANCHMSA-N 444.561 1.003 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1705566203 MIDXMVAQZNSSPA-DLBZAZTESA-N 432.550 1.120 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cnnn1 1705595411 RPDLFWVXAOLLLF-UHFFFAOYSA-N 426.488 1.671 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N(C)C 1705601260 DHDAEKWLEWKVBP-UHFFFAOYSA-N 429.546 1.520 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)CC1 1705700713 XNIVMOXSSKTVCE-NSHGMRRFSA-N 432.569 1.369 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705805716 MWDVHKGUHBPSGF-ZWKOTPCHSA-N 434.566 1.638 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1706074812 FHCMHRRJHHVHSM-WBVHZDCISA-N 440.533 1.405 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1706215279 AKTXGQRUHIJVKI-UHFFFAOYSA-N 425.493 1.332 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1706746961 GMDQURPDEUJXBV-HZPDHXFCSA-N 427.534 1.968 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCO[C@H]1CCOC1 1709141945 KVPVQLQUOWSSJO-SJORKVTESA-N 426.525 1.413 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)c1 1711331959 VPPYFAFQFOCHCF-YCRPNKLZSA-N 430.484 1.852 30 10 IDEE CO[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1711513329 CCQNFKWEONILFR-YOEHRIQHSA-N 427.484 1.601 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCn2cc(C)nc21 1712566118 KJFBXILGRTVZFY-SQNIBIBYSA-N 429.525 1.813 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1712594624 ROZUGZNLCKVFPG-LJQANCHMSA-N 440.504 1.901 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1722352899 QSPBAJSZDBTUSH-AWEZNQCLSA-N 428.518 1.193 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCC[C@H]1C 1722428411 YUXAWRVBGFSNPB-IIBYNOLFSA-N 431.562 1.907 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1722458507 LWFJCFGBIPRKAP-WMZOPIPTSA-N 446.621 1.973 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 1722465352 JTYIIZXNCXGZFS-UHFFFAOYSA-N 429.546 1.901 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722519346 CIJZMTWDJOMRFV-IRXDYDNUSA-N 447.517 1.886 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722671593 YKAJNHCVQRRCAU-GJZGRUSLSA-N 428.459 1.671 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722695067 RKFNYEWQJNPTKO-KRWDZBQOSA-N 434.460 1.388 30 10 IDEE CC/C=C/Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1727865035 UWNVGAQXYIPMOI-WHLIDYPQSA-N 441.561 1.740 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1729527041 WUYJQSMHAOKOQG-MUUNZHRXSA-N 435.575 1.599 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1740551596 LLYVMKKYGQBAJC-RDJZCZTQSA-N 430.530 1.848 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NC(C)C)CC1 1740692928 POCFZHXWBMZOGQ-UHFFFAOYSA-N 426.521 1.242 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1N(C)CCCC1(C)C 1740900303 PCZQWMHGVLEPGO-IRXDYDNUSA-N 440.614 1.354 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC2(CCOCC2)C1 1740992937 PRKDACFKXSEUNC-UHFFFAOYSA-N 431.562 1.872 30 10 IDEE CNC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748269566 RASWYAVLVBRBHA-UHFFFAOYSA-N 433.472 1.625 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OCC)c1 1748641066 ZDEJQGDLYVPWJV-CABCVRRESA-N 435.550 1.802 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1748667487 VDVXMUFADUYCLT-YESZJQIVSA-N 428.562 1.822 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(OC)CCOC2)C1 1749697697 MQDIZQJRIMEPNN-QIJUGHKUSA-N 436.553 1.906 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCS(C)(=O)=O)C1 1749715374 SFAFGBIFIXLXFD-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(C)C)C1 1749723577 AJROVJUHQASXJH-CVEARBPZSA-N 447.627 1.362 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@H]1C 1749873288 FCLNNZUWSOWLQO-AUMHUTNHSA-N 442.589 1.885 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(Cl)cn1 1750005248 ACAIGSWBCNCDGL-GDBMZVCRSA-N 436.900 1.858 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760155056 OSVGQLDCHDZZCL-KRWDZBQOSA-N 433.578 1.575 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1760189867 QQVBQKQZQHJSJW-SFHVURJKSA-N 444.605 1.863 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1760192139 RJVWYVVBMVZQEH-GOSISDBHSA-N 448.618 1.686 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760203183 XTGDBWIIRHCRFB-UFYCRDLUSA-N 445.589 1.797 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[S@](=O)CC)CC1 1760259620 DNZDBSIUWRVZMA-WJOKGBTCSA-N 437.573 1.655 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1760284350 KSNGRLMCJXFXPW-UHFFFAOYSA-N 426.546 1.502 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760287357 PLBIZHRDEYSCLE-VGOFRKELSA-N 428.537 1.001 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1760455292 MLMCNJYKAWTPOD-QFIPXVFZSA-N 428.537 1.832 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N1CCOCC1)C1CC1 1760469589 KKUCJKJLYCSGMU-UHFFFAOYSA-N 445.545 1.362 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](COC)C1 1760516939 YNFIQWBIWPZIPV-JKSUJKDBSA-N 433.484 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760517499 OAEIEABIHTXFRN-LSDHHAIUSA-N 449.414 1.963 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760677276 LULRUPHRBNYQTD-LSDHHAIUSA-N 432.550 1.601 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1761542442 HWLIEHHKGVPZRD-MBSDFSHPSA-N 435.532 1.718 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1764568334 DTEIXKHSSWFIJI-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1765197797 GKXOFHABXAMRGH-QAPCUYQASA-N 437.504 1.953 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1OC 1765993813 VCFORIYBHVZVEC-VGSWGCGISA-N 443.504 1.887 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766919722 CXXXETRJJIXBMA-UHFFFAOYSA-N 448.579 1.860 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1767149730 GPOKUKZSHMEINX-XMSQKQJNSA-N 446.575 1.116 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)SC)CC1 1767214835 CRHPHWCUAHLAKB-INIZCTEOSA-N 427.578 1.826 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(N(C)C(C)=O)CC2)n1Cc1ccc(C#N)o1 1771295542 TXCYEAMZXLBTKT-JXFKEZNVSA-N 442.520 1.962 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1771536891 DLSHCYUDXHPORJ-WOJBJXKFSA-N 428.512 1.584 30 10 IDEE CN1CCN(c2cc(Br)nc3c2N(C(=O)c2cnc(C#N)nc2)CCC3)CC1 1850899664 GLLKGGWUAQXQDY-UHFFFAOYSA-N 442.321 1.851 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CNC(=O)c3ccc(Cl)cc3)CC2)nc1 1851256814 DDHPNJYKFVLMNB-UHFFFAOYSA-N 427.892 1.702 30 10 IDEE COC(=O)C1CCN(C(=O)CCC(=O)Nc2c(C#N)c(C)nn2CC(F)(F)F)CC1 1851780143 CJCJTEOHGCKKFH-UHFFFAOYSA-N 429.399 1.756 30 10 IDEE C=CCN1C[C@@H](C(=O)N(C2=NCCN2C(C)=O)c2c(Cl)nc(C)nc2Cl)CC1=O 1852440896 MLKMZUKPQXFSIS-LBPRGKRZSA-N 439.303 1.677 30 10 IDEE Cc1nc(C(=O)N2CCC(n3ccc(=O)n(C)c3=O)CC2)c(C#N)c(C)c1Br 1852983093 DSVQPTUNXCBQGV-UHFFFAOYSA-N 446.305 1.670 30 10 IDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)cc1 1855734518 QWXRSAJDGSXFKP-HNNXBMFYSA-N 427.482 1.558 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[C@H]1C 1856260289 WTLSPSZIXQNUFY-DLBZAZTESA-N 432.546 1.836 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2=O)c1 1856319790 AKYFEPKTLRLMTD-UHFFFAOYSA-N 435.408 1.833 30 10 IDEE N#Cc1ccccc1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1866586175 GLNNVEBDRFHJOY-JXFKEZNVSA-N 441.509 1.755 30 10 IDEE COc1ccc(-c2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccccc3C#N)nc(O)n2)cc1 1866621289 ALEYOVPMYLRYPX-IBGZPJMESA-N 433.424 1.459 30 10 IDEE COCCN1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1892044774 RFHWVSZYKBCGTM-SFTDATJTSA-N 430.574 1.742 30 10 IDEE C[C@@H](C#CC(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902013588 IFZXWMGFNDEUHG-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 2011943516 OTISSRWGNXRSHL-IBGZPJMESA-N 428.533 1.985 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2085300816 WMGPAPAUWYNKNU-CTASWTNQSA-N 437.346 1.696 30 10 IDEE NCC#Cc1ccnc(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 2145991286 IGNIANQWCRCBGS-UHFFFAOYSA-N 426.498 1.600 30 10 IDEE CON(CCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243390472 WEULCYMBYCUYQT-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247881392 XFJKRKAYUBULGN-UHFFFAOYSA-N 442.343 1.720 30 10 IDEE CN(CCOCc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247951642 JIDFGZFERFWIFO-UHFFFAOYSA-N 435.355 1.557 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255619548 QEIDMVZJGBLNMY-QWRGUYRKSA-N 428.220 1.087 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)n1 2255647841 DUDBSWYYSZMJGR-AWEZNQCLSA-N 433.314 1.970 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2255648228 KMSZNLXROFVXCW-HUUCEWRRSA-N 432.330 1.553 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2255817978 DMAMMWIRZZRARS-CQSZACIVSA-N 432.330 1.625 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255842789 XNPBUZQRUZYSCZ-UONOGXRCSA-N 434.346 1.847 30 10 IDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256640227 OEDZZAOIXGQPEU-AWEZNQCLSA-N 439.293 1.998 30 10 IDEE C[C@@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267008874 INHKMVPCLPLIEX-DGCLKSJQSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@@H]2C1 2267570579 WFBOMBQMCYWJLT-SJORKVTESA-N 447.341 1.774 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC3(C2)OCCO3)OC1(C)C 2267707628 UTRXNHIRRWPFJD-UHFFFAOYSA-N 430.357 1.111 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268651219 NWROXPPCSFEYGA-CQSZACIVSA-N 446.313 1.055 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 2337201587 WVIGYDUVLZIJCV-QZTJIDSGSA-N 441.337 1.823 30 10 IDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)C2)c1=O 101455990 HWFYJZREGDGCQX-AWEZNQCLSA-N 433.262 1.888 30 10 IDEE CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 136812654 IQFJTDLERMTRLJ-QZUYBKCWSA-N 436.476 1.191 30 10 IDEE C[C@]1(C2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CC2)NC(=O)NC1=O 461149347 ILNPGEXBYRBUPF-FDDCHVKYSA-N 449.515 1.810 30 10 IDEE CSC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOCC1 466122572 SCQFFAMBBWBFJE-UHFFFAOYSA-N 438.575 1.486 30 10 IDEE CC(C)C[C@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C(=O)NCCN(C)C 481012857 KVQVBBKSNMFASL-QAPCUYQASA-N 437.566 1.586 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 503691086 VDFLEDSWMZMSCW-SFHVURJKSA-N 449.492 1.764 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccc(F)cc1 508498439 RTUYGJLYEPWETB-KRWDZBQOSA-N 439.513 1.451 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2nnc(C(F)(F)F)s2)CC1 508864246 NGPBICRUEOWABO-LLVKDONJSA-N 431.444 1.749 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 508889560 SYNLHAXQPKCGRQ-HOTGVXAUSA-N 447.565 1.633 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 514492426 YMHAWJPSNWMEHD-CQSZACIVSA-N 433.480 1.396 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C 514835613 LFOOJFZZMCHFKE-UHFFFAOYSA-N 437.496 1.612 30 10 IDEE C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 543875965 NHWZGTKJFBPURX-SYTGMHCUSA-N 439.859 1.887 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 578303979 HHURRWDNGQYOHM-JKSUJKDBSA-N 449.581 1.585 30 10 IDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CC#N)CCCN1CCOCC1 586150380 CKGRJVFDGXTPRG-UHFFFAOYSA-N 436.534 1.059 30 10 IDEE COc1cc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C#N 589604302 HBUIXZFGMAECMG-UHFFFAOYSA-N 444.513 1.587 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727815122 XPZVLRNGYWAENY-UHFFFAOYSA-N 429.523 1.073 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 732465114 CLSZELWNKQKZAQ-BVGIJJTOSA-N 433.459 1.755 30 10 IDEE N#C[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1C1CC1 732664479 PHTSEEWLBAPZEC-KRWDZBQOSA-N 429.546 1.484 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC(=O)N2C)cc1 734966800 MZQBCVJQUAOBBM-ICSRJNTNSA-N 427.482 1.732 30 10 IDEE C#CCN(CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 749284119 NXHVIJXTJWCVIU-IFMALSPDSA-N 447.601 1.461 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N([C@@H]2CCOC2)C1=O 751680271 WQCQGRSKFMIVJI-CJNGLKHVSA-N 426.489 1.753 30 10 IDEE CN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 756357762 FHTXIODJGIRJRJ-AWEZNQCLSA-N 428.470 1.863 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)ccc1F 767143714 DIANRALMEGTXBM-MRXNPFEDSA-N 435.525 1.731 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 769856508 YILUGXYOFUIPPM-MRXNPFEDSA-N 435.955 1.674 30 10 IDEE Cc1ccc(I)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 773307418 ANPBHVRHNJJSRH-AWEZNQCLSA-N 438.269 1.737 30 10 IDEE Cn1cc([C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(F)(F)F)cn1 773831270 INDAEGKLZKNOOV-OAHLLOKOSA-N 429.424 1.659 30 10 IDEE C#CCN(C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CCS(=O)(=O)C1 774196112 OVQOBEXDIVXCLF-KRWDZBQOSA-N 434.514 1.295 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 774258738 CJPLNIOBJLOLMA-GOSISDBHSA-N 447.605 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 777284294 DJEPEYWSIHPENE-QGZVFWFLSA-N 437.518 1.920 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 782532633 YIGVLQKQVCZUKV-OAHLLOKOSA-N 438.525 1.984 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)n1 788364821 AAJLIPCWLCSITK-UHFFFAOYSA-N 426.433 1.299 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)n1 789167009 KWYIOZUZWJYPGP-UHFFFAOYSA-N 439.582 1.125 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 789167107 LULRKHYJFGMQJN-NRFANRHFSA-N 434.500 1.742 30 10 IDEE C#CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)[C@H]1CCS(=O)(=O)C1 789903947 FHPXNCIXIKLNML-LBPRGKRZSA-N 427.404 1.859 30 10 IDEE CC(C)(C)n1cc(C(=O)C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 790839436 NCPKVZBNDCIXRD-UHFFFAOYSA-N 439.291 1.960 30 10 IDEE C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)C1=O 790893078 FCMQPXUUJAIWGZ-XXBNENTESA-N 436.516 1.793 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@](C)(O)Cn2ccccc2=O)c1 791127500 HRMYTTRMLNYVGJ-KTXUMSRNSA-N 432.502 1.051 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H]2CCSC2)C1=O 794440715 IBZWVZYAKPSJPP-RCKSERRISA-N 435.619 1.498 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C(=O)NC)cc3)cc2C1=O 797328043 JOBJYAFXPWPBTQ-UHFFFAOYSA-N 441.465 1.088 30 10 IDEE COc1cc(C)c(CN2CCN(C(=O)COC(=O)c3cc(C#N)ccn3)CC2)cc1OC 803849478 IMEKHAKCSAMNAI-UHFFFAOYSA-N 438.484 1.780 30 10 IDEE C[C@@H](OCC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F)c1nccn1C 809123958 NMBRVAJWZPZLQG-SECBINFHSA-N 445.270 1.776 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCNC(=O)OCc1ccccc1 813977804 JWJKQINGWPAHNF-OAHLLOKOSA-N 431.470 1.698 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 917508792 GHSPJOKRPNHZPQ-QGZVFWFLSA-N 430.486 1.838 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnn(-c4ccccc4)c3Br)C[C@H]1CS(=O)(=O)C2 1134056728 SWFCBAUGWWXIOU-SJCJKPOMSA-N 435.303 1.645 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1)c1cc[nH]n1 1137111192 FLSUUISHCILTHP-UHFFFAOYSA-N 430.461 1.965 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(CN3CCCCC3)no2)s1 1140594426 XWEJVPJJXZGQBN-UHFFFAOYSA-N 439.563 1.440 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCO[C@H](c2ccc(C#N)cc2)C1 1176586181 ANXYYHKIRNIGRW-VFNWGFHPSA-N 440.525 1.557 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCS(=O)(=O)C4(CCC4)C3)C2=O)cc1 1178547473 LLLXWIVCTKPFSX-RDJZCZTQSA-N 444.513 1.379 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1 1191712525 YCHQYHSPHJHSOU-UHFFFAOYSA-N 442.442 1.025 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1286271061 QSKFMWRSBSBWGD-KRWDZBQOSA-N 425.537 1.619 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1286390192 YLJSZHUWUYTUIW-MSOLQXFVSA-N 429.546 1.702 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1286397745 CHXJFCWOFREXKA-NVXWUHKLSA-N 449.508 1.369 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1286408253 AYEXMAUFTXLLNK-INIZCTEOSA-N 428.562 1.160 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286473961 ZEIPTXXTIKHRCY-MZKRTTBSSA-N 431.581 1.625 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1286621089 ZPLFWAPVFZILCC-HUUCEWRRSA-N 447.005 1.774 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286821988 XPCBUUYUNPKECM-GJZGRUSLSA-N 427.571 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286823394 MVOQXGGITBUHFW-HKUYNNGSSA-N 448.593 1.744 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCC(=O)Nc3ccccc3)CC2)c1C#N 1290576171 BFLXWBIPJOCWRV-UHFFFAOYSA-N 433.520 1.856 30 10 IDEE Cc1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1B1OC(C)(C)C(C)(C)O1 1293864208 INYJFBKNSKFQGU-UHFFFAOYSA-N 433.339 1.788 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1 1300126299 DBBIWHXHVKSWLS-NBCNXNJRSA-N 427.505 1.341 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1300370781 CRUMGOFOTKCXAL-OAQYLSRUSA-N 441.624 1.809 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300488509 RVBQNNUKJSDCEQ-ZWKOTPCHSA-N 447.561 1.343 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300494190 ZMTPYPFCGMDQKS-OAHLLOKOSA-N 439.488 1.557 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCCCC1 1300650893 WPJOLPHBXZUSJX-UHFFFAOYSA-N 425.537 1.887 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(N)=O)cc1 1300676065 ZMPYFOZLQAJEPS-UHFFFAOYSA-N 436.520 1.765 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(CO)c2)CC1 1300726462 MDGOISPTKSRBLR-UHFFFAOYSA-N 444.539 1.770 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1300972318 KDYGISCRKOXYEC-UHFFFAOYSA-N 432.569 1.802 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301197617 VZSUIRFGNPKMNY-SJORKVTESA-N 440.614 1.544 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301490940 IYCWSHCLYVYDOQ-UHFFFAOYSA-N 443.449 1.608 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301502652 NZDCWJIFEMTZMI-UHFFFAOYSA-N 426.587 1.029 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCOCC2)C1 1301543688 OTACKXOCFICFFQ-MIZPHKNDSA-N 449.596 1.821 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccc(O)cc1 1303833001 CGTLHROZSCNYPQ-HNNXBMFYSA-N 432.550 1.967 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCCO1 1305207463 VHHIPAFUOUTLOF-INIZCTEOSA-N 448.549 1.283 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2Cc2nncn2C)c1 1358903378 UQHCOEGLNXCJRI-UHFFFAOYSA-N 441.499 1.497 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(S(=O)(=O)NC)c1 1358937323 QMIDCMPPPPOIHS-UHFFFAOYSA-N 432.550 1.222 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358962945 ZLXVUNZVFBRIMR-YOEHRIQHSA-N 449.483 1.182 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1358978207 GEDUJFQEXFNPDQ-QGZVFWFLSA-N 430.505 1.587 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1358991450 BHHIMFAUZBBDTI-UHFFFAOYSA-N 426.484 1.621 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cnccc2OC)CC1 1359046086 DJEAUZYMJSDATH-UHFFFAOYSA-N 445.527 1.682 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)OC)C1 1359135496 FQLGPWXBFRMJTM-OAHLLOKOSA-N 433.534 1.862 30 10 IDEE C=C(C)COCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359136365 HKBHANBRIPQRHG-VXKWHMMOSA-N 433.553 1.628 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(=O)(=O)CC)CC1 1359161559 IIIHMDLTGTXKGF-UHFFFAOYSA-N 438.575 1.940 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C 1359293255 LFTHUUYGFKJLPW-LLVKDONJSA-N 436.314 1.005 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CN(C)C(C)C)CC1 1359304190 PRMKLOAKEDWGGS-UHFFFAOYSA-N 442.612 1.999 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C1 1359322473 WDDJTNCHTTYYLI-SJORKVTESA-N 425.555 1.192 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359342283 UFNXLJMKPGGCRY-KBXCAEBGSA-N 425.580 1.163 30 10 IDEE Cc1ccc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)cc1S(=O)(=O)NCC#N 1455463856 JEZBFBNLDSLKNL-HNNXBMFYSA-N 431.474 1.271 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](CNS(C)(=O)=O)C2)n(Cc2ccccc2)c1C 1460744001 PWWMNAICHYQSNU-IBGZPJMESA-N 443.573 1.835 30 10 IDEE C#Cc1cncc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)c1 1463184554 WTWDEEOFOYGATN-MRXNPFEDSA-N 431.233 1.981 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1465299190 FPPPCJFJPMOONW-INIZCTEOSA-N 425.445 1.157 30 10 IDEE CN1CCC(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)(N2CCOCC2)CC1 1469008235 NGLSLWAYEUZGRF-UHFFFAOYSA-N 448.608 1.550 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(COCC(F)(F)F)c2)CC1 1469493847 XMQWIVQESWWCPP-UHFFFAOYSA-N 448.467 1.060 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)C1 1471335625 FSCWUDTYRYSOIP-WOJBJXKFSA-N 430.574 1.651 30 10 IDEE C#CCN1CCC(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 1471938923 ZTVJYCADTTXWCX-UHFFFAOYSA-N 445.589 1.453 30 10 IDEE CC/C=C/Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499826950 HKORWRUTJKLAQV-RDFMZFSFSA-N 428.518 1.681 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1503273437 IVJWRMGHRRNPFW-UHFFFAOYSA-N 444.561 1.929 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1503634362 CBPJELHBULETNQ-UHFFFAOYSA-N 427.534 1.664 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1503808040 CEMQPUXBIBATRP-HNNXBMFYSA-N 449.437 1.458 30 10 IDEE COC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1503912950 GJAQXCYFVUAELU-UHFFFAOYSA-N 438.536 1.419 30 10 IDEE COC(OC)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1504011545 VQXLGBLTTCXZIH-SFHVURJKSA-N 440.504 1.469 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1504530083 FWBABOMVUZYMHQ-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2c(s1)CCCC2 1507600068 BTSBLDLYRYFTSE-AWEZNQCLSA-N 436.607 1.926 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507627052 IHWIBQVWHJBRPW-DLBZAZTESA-N 436.509 1.565 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1507710334 NRWTVLARQBKWGF-UHFFFAOYSA-N 442.545 1.548 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1507735256 PSLAQLSBKAWKIV-UHFFFAOYSA-N 429.488 1.074 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCCC 1507773767 WHPYUBPFPITVTB-FXAWDEMLSA-N 439.582 1.420 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507795722 FJKFDSVHTVAUMX-TZIWHRDSSA-N 446.596 1.411 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)C1 1508116409 RTBJYQTXBMEUIO-BRWVUGGUSA-N 439.582 1.486 30 10 IDEE CC1=C(C)CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1510391034 PVEFGIYUQUSZMZ-HTXNQAPBSA-N 427.509 1.489 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1516958496 NTVHMZWYWDVWPR-DEOSSOPVSA-N 449.559 1.990 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1518747760 MOGZIGVSHUYOQQ-RBUKOAKNSA-N 425.468 1.903 30 10 IDEE COCCN(C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1519099500 OIHJQEYCXBUULC-CZIZESTLSA-N 426.477 1.563 30 10 IDEE COCCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C[C@H]1C 1519230183 VMLSAJFKJXPTGP-UWVAXJGDSA-N 444.536 1.672 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1519612647 CYBRTTRCGPLTGD-SJORKVTESA-N 425.518 1.566 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1526043464 UVXIOFPLBYZKDI-QKLQHJQFSA-N 449.573 1.777 30 10 IDEE C[C@@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1538861502 GWYRXUXSFPJVEZ-LPHOPBHVSA-N 442.516 1.926 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)C 1538983795 XUFRMUHMCFOTEX-MRXNPFEDSA-N 446.577 1.426 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1539220353 RAXLSYLLACFOIF-GOSISDBHSA-N 435.594 1.410 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1)c1cc[nH]n1 1539394894 QASZYFMQMXLZLQ-IBGZPJMESA-N 443.504 1.192 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1539983561 ZNUCMGYSXDTLPV-INIZCTEOSA-N 434.566 1.887 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CCCO)c3ccccc3)CC2)cc1 1540647939 OPDDBZURAOSUJD-NRFANRHFSA-N 427.526 1.947 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540875201 DLSQCASMYCEGKK-WOJBJXKFSA-N 441.532 1.852 30 10 IDEE C[C@@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1541954252 FXLYSYSMZLUOJT-JLTOFOAXSA-N 439.501 1.623 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1542224921 WNKWHCASQGEVDL-FOIQADDNSA-N 449.556 1.753 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](OC)C(F)(F)F 1545928801 KFXZDEQFAQAUQZ-KBPBESRZSA-N 432.447 1.893 30 10 IDEE CCC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1546921344 MWFKNOCTNQPISP-FFGOWVMKSA-N 432.569 1.994 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 1557481223 AFVUAJFURSQINY-FCHUYYIVSA-N 439.537 1.324 30 10 IDEE N#Cc1cn(CCNC(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)c(=O)nc1O 1557600836 BIRRPATZJTZDIS-UHFFFAOYSA-N 426.383 1.203 30 10 IDEE C=CCn1c(SCC(=O)NCc2cn(C)c(=O)nc2O)nnc1-c1ccc(Cl)cc1 1558041335 RKQZYYBXKIGNNG-UHFFFAOYSA-N 446.920 1.992 30 10 IDEE C=CCC1(O)CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1564703354 KYYYCEITUUODPE-LJQANCHMSA-N 433.524 1.956 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C)c(C#N)c1 1584104592 KKLPOOQHNWIPJT-UHFFFAOYSA-N 429.498 1.826 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2)C[C@H](C)O1 1586254868 SKWFKZHOZSJOMM-KBPBESRZSA-N 445.501 1.335 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 1588045081 GRKOBCQYPUVCME-AWEZNQCLSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1588049829 LSFJXZNEGRDMSL-ICSRJNTNSA-N 442.589 1.699 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1588646420 JTKYCEFHBUXUJM-IBGZPJMESA-N 447.561 1.054 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCC(=O)N(C)C)CC1 1588871608 JPUBMCCMZGLQQW-UHFFFAOYSA-N 428.512 1.620 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC=CCO2)CC1 1588884487 BTUTUFNNUVKNTR-IBGZPJMESA-N 442.564 1.507 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCC2)CC1 1588930532 YOGWJILXGQYWLM-HKUYNNGSSA-N 445.589 1.502 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)CC1CC1 1589404521 KDUXFZLFAQXYRU-AWEZNQCLSA-N 433.372 1.952 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1593747351 UXVSHUDWYAGOEX-ZWKOTPCHSA-N 443.552 1.772 30 10 IDEE CN1CCn2c(CCNC(=O)c3cccc(COc4cccc(C#N)c4)c3)nnc2C1=O 1594082219 QCISAEGLEYJZRK-UHFFFAOYSA-N 430.468 1.787 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1595812087 MUVVQXVEJBGUIE-INIZCTEOSA-N 449.552 1.701 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1618514191 WNQCPRNUASALCT-UHFFFAOYSA-N 446.515 1.956 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1618859583 DTGGCJWMLHHNKZ-INIZCTEOSA-N 447.517 1.163 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CN2CCCC2=O)nnc1N1CCCCCC1 1620385349 WTXVNWUMXMXWGO-VXPUYCOJSA-N 427.509 1.307 30 10 IDEE C#CCN(C(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1626433990 BMDAEGLEKLHAKW-GJZGRUSLSA-N 436.534 1.505 30 10 IDEE N#Cc1cc(CNC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)ccn1 1626740295 GOTKOEUNNVTWDN-UHFFFAOYSA-N 429.683 1.947 30 10 IDEE C#CCN1CCC(NC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1633298392 RGNQEAFXZULWGE-UHFFFAOYSA-N 433.452 1.756 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)CC1 1638651921 STOAWZLQKBXYHP-CYBMUJFWSA-N 426.926 1.131 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCNC(=O)OCc2ccccc2)C1 1639076766 CUIGCULGUUOFAX-DLBZAZTESA-N 431.493 1.971 30 10 IDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCN1S(C)(=O)=O 1641450111 SBJLHJPHKOXFBJ-JQCXZVQFSA-N 440.566 1.266 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)COC 1643802798 KNXKCBOFVHFLQT-GOSISDBHSA-N 435.590 1.531 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)cc1 1645030893 BISMTYCJACMLHP-MRXNPFEDSA-N 442.497 1.072 30 10 IDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)n1 1647783529 WSODCVZTCZXVBU-UHFFFAOYSA-N 425.470 1.730 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1648155681 NDIOHHBHRKHQEI-GQIGUUNPSA-N 425.551 1.810 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1649190937 UGMJYYOWJMCMNQ-MSOLQXFVSA-N 448.545 1.837 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1650958336 JRWCEMALXXIZEJ-NWDGAFQWSA-N 434.321 1.438 30 10 IDEE CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1662835679 BPNBHSXTJOKCRN-IBGZPJMESA-N 434.562 1.632 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)CCCC(=O)N3)CC1 1663202127 JSILYQCGTLTKTR-UHFFFAOYSA-N 427.320 1.873 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1)C(=O)OCC 1665496387 BOUNHPSLCMQDPB-CQSZACIVSA-N 433.866 1.612 30 10 IDEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1666425445 BMVAGFHUMXNWPZ-NVXWUHKLSA-N 441.575 1.972 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 1668729020 RHVHGQQUFJWCBA-FQEVSTJZSA-N 442.560 1.766 30 10 IDEE C=CCN(C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1673272705 HMVLXQGPBXLAED-MRXNPFEDSA-N 437.522 1.554 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H](OC)c2ccccc2Cl)CC1 1680273144 NZNYIAARHVFZEB-PBHICJAKSA-N 428.942 1.211 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)c(F)c1 1683164596 KJNSGTUCEOPLAV-FQEVSTJZSA-N 438.507 1.825 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986812 XOODBIMXIXCYRO-MSOLQXFVSA-N 432.594 1.876 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689993235 YNZAKARSNOALCR-MOPGFXCFSA-N 448.520 1.050 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1690047769 YNLZSAQNYXNENO-SFHVURJKSA-N 433.578 1.654 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1690073756 FTQPHUDWZRSHSJ-AWEZNQCLSA-N 436.563 1.037 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1690236342 LLDWKILPRATUPP-UYAOXDASSA-N 444.580 1.800 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@@](=O)C(C)(C)C)CC1 1690396472 CRAKHPGSMVQNSI-LOKFHWFJSA-N 431.628 1.838 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1690472022 BFEZQCDGNJEDLZ-OAHLLOKOSA-N 433.582 1.950 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccccc2)C1 1690661019 SRKOYBYCSIYPDX-FUHWJXTLSA-N 446.577 1.260 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(N)=O)CC1 1690669243 ZBMQBWZQKCIHEE-UHFFFAOYSA-N 434.504 1.135 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690723440 RRDZJJPOZNCJAB-INIZCTEOSA-N 425.555 1.861 30 10 IDEE CC[C@H](Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1694412167 ZUMJVTGNOAPPBY-KNKQGSTJSA-N 432.569 1.920 30 10 IDEE CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C1CCCC1 1695550438 CBKRXCKFBMVONZ-GOSISDBHSA-N 448.549 1.893 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1696340977 GDFFXJOZJFYSMY-IBGZPJMESA-N 440.552 1.129 30 10 IDEE C[S@@](=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCC1 1698321328 FMLLKCFIJTXIKX-DEXQXJORSA-N 439.607 1.611 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CCN1S(C)(=O)=O 1698453881 UXNXFJSJUJMQGT-KRWDZBQOSA-N 446.577 1.840 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCCO)CC1 1698488497 IWDNBIPIWCVZMU-LJQANCHMSA-N 437.548 1.980 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCN(CC)CC1 1705490374 JKMOKASTFIVQJC-GOSISDBHSA-N 441.580 1.881 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCN(C)C(C)(C)C1 1705553548 RSDCHFDZGKZDFR-UHFFFAOYSA-N 434.548 1.689 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1705563078 QLAMXYHVOLMVDS-UZLBHIALSA-N 434.518 1.279 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705564889 FEHYTVCBICGXFC-MSOLQXFVSA-N 445.545 1.251 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[C@@H](O)C2)n1 1705631558 IRDVSBZMSXXHCF-SFHLNBCPSA-N 442.564 1.816 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2cccs2)CC1 1705632160 JFVBNHQZOPGRRH-QFIPXVFZSA-N 444.605 1.921 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2N2CCOCC2)CC1 1705761995 IRRFDGIOMJFRCU-UHFFFAOYSA-N 425.537 1.853 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)OC)CC1 1705828906 BTMVXKYQRNFHHL-UHFFFAOYSA-N 431.493 1.988 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)C1 1706935245 ODFQRWLNFZHQOM-NJNPRVFISA-N 429.569 1.596 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)C1 1706935254 OFZNLUMIFUSNHW-MGPUTAFESA-N 446.533 1.220 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCSCCCO)CC2)c1C#N 1707807821 NOACKUPQNADLSU-UHFFFAOYSA-N 446.625 1.832 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)C1CC1 1710729609 GHDOWFMYBGEJJF-OAQYLSRUSA-N 428.541 1.216 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1710848326 APHOBXVQLILXED-WBVHZDCISA-N 449.533 1.325 30 10 IDEE COCCOC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712591572 PATBPVZLUWULIT-CZIZESTLSA-N 432.525 1.560 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCCC2)cc1 1712881723 GDLVYTXAZOXZMC-UHFFFAOYSA-N 444.561 1.449 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC2(F)F)CCO1 1712884072 FXWAKDGPAYPGBI-RBSFLKMASA-N 429.493 1.734 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1722413902 SDTTUEHGSHHMLU-GOSISDBHSA-N 449.602 1.863 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1 1722418981 KBTOZHLLZJEAOV-UHFFFAOYSA-N 441.923 1.729 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722425272 SNMROEHDCRUOSE-JOCHJYFZSA-N 449.559 1.380 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1722428171 WMXYWSJVYFXSBH-SFHVURJKSA-N 448.568 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOCC(F)F)CC1 1722447329 HYNUGAJGZYFJIQ-QGZVFWFLSA-N 439.507 1.810 30 10 IDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722451966 QLPJEIMTHTUZNZ-HNNXBMFYSA-N 432.550 1.025 30 10 IDEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722552997 YKNLHBWSFCEQNQ-GFCCVEGCSA-N 436.850 1.047 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1722712837 AIGMSCOXTZMARU-AQNXPRMDSA-N 445.612 1.284 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1726746745 UBOSGRBOUTVKBC-WMLDXEAASA-N 429.475 1.871 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CCO1 1727800257 GHTRQVDXSFMNST-GOSISDBHSA-N 430.534 1.467 30 10 IDEE CCCC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1727897529 XXLFEMKWPOXKFN-QAPCUYQASA-N 439.520 1.875 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1730001360 YKCDTSZBTWPQAE-XHSDSOJGSA-N 433.896 1.876 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCCC2)nc1 1730872146 CGNWDLDENYFHQR-HKUYNNGSSA-N 441.536 1.774 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1740631948 YTMSFGPPKRRQEQ-UHFFFAOYSA-N 447.499 1.630 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F 1740960694 YAKPRLGTPQYQFV-CQSZACIVSA-N 439.488 1.397 30 10 IDEE CCc1nnc(N2CCN(Cc3ccsc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1744706724 RLWBWNBTWPXEQR-VXPUYCOJSA-N 441.561 1.751 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1748699977 SZWYTLUOBFZJAJ-INIZCTEOSA-N 434.570 1.200 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1748711891 BNGHHGZMHCBPNR-UHFFFAOYSA-N 449.519 1.596 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCCCC1 1748776732 NZKLRRUGKDLIHD-UHFFFAOYSA-N 429.546 1.821 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748834602 QKHSBOQQHLMWFK-MRXNPFEDSA-N 431.949 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1748892591 SFOJWRUTAYXNLC-GOSISDBHSA-N 449.646 1.471 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccnc2OC)CC1 1748979069 UOXYCSJPAIWAEM-QHCPKHFHSA-N 440.548 1.526 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)c2occc2C)CC1 1748991545 ZRKDWQHNTPVAFG-LJQANCHMSA-N 440.548 1.649 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC(C)C)C1 1749020212 OQPUHZGLIJEMPM-KRWDZBQOSA-N 444.561 1.922 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1749590048 NLACASBOQSWIKP-UHFFFAOYSA-N 436.516 1.951 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O 1750335257 AMTIGZOPRZWRTA-AYBZRNKSSA-N 444.561 1.305 30 10 IDEE CC(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1751053543 CQRHEGWLIQGEGE-HOTGVXAUSA-N 439.524 1.031 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@](C)(O)c1ccsc1 1751207244 ARZXAUCEKYPYQV-FZKQIMNGSA-N 438.579 1.597 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(CS(C)(=O)=O)CC1 1760123048 XONDWFXCNYMMPD-CQSZACIVSA-N 435.575 1.552 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1760145984 ZCRIKWSARFKCJI-ZIAGYGMSSA-N 437.488 1.849 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1760155250 UQAVMNKBGADFAW-DLBZAZTESA-N 430.509 1.729 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1760269587 LYUPGLKREJWTIF-IBGZPJMESA-N 437.548 1.257 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C)C1 1760279399 BSCXGFMIFPOKGA-HNNXBMFYSA-N 434.591 1.830 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(F)(F)F)CC1 1760514364 CNYMIWLFSYLLQL-UHFFFAOYSA-N 445.490 1.183 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1760523293 SLNDXKUHVSXGMK-UHFFFAOYSA-N 435.532 1.844 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760526410 NFXGRWZIRXSDLP-MRXNPFEDSA-N 426.477 1.109 30 10 IDEE Cc1ccc(C(=O)NCCn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1F 1761707585 AHKKXXRFUZQQDU-UHFFFAOYSA-N 435.463 1.999 30 10 IDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1768638522 PULWEMHAOVXQAH-UHFFFAOYSA-N 433.472 1.649 30 10 IDEE COc1ccc(OCCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1768752428 GRYILVLYMLIAFM-UHFFFAOYSA-N 436.520 1.914 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1771112115 GNXHPWKXVWRNIQ-CVEARBPZSA-N 446.474 1.412 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)Nc2c(C#N)cnn2CC(F)(F)F)CC1 1851231653 GEVHYBISSFIZKG-UHFFFAOYSA-N 448.405 1.874 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)O[C@H]3C[C@H]4C(=O)N(Cc5ccccc5)CC(=O)N4C3)cnc21 1852723384 YTFKKUVCRWSDOF-ICSRJNTNSA-N 443.463 1.614 30 10 IDEE N#Cc1ccc(NC(=O)NCCN2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1 1852994261 XLVMXNCGYFJZOF-UHFFFAOYSA-N 431.504 1.817 30 10 IDEE C=CCC1(S(=O)(=O)N(CCN2CCN(c3ccccc3)CC2)Cc2cnnn2C)CC1 1853556170 MFZVLZATCQXPLX-UHFFFAOYSA-N 444.605 1.878 30 10 IDEE Cc1cccc(N2C[C@H](C(=N)NOCCC(=O)N3CCN(CCC#N)CC3)CC2=O)c1 1853566070 KKXXYLGVBTZKNQ-GOSISDBHSA-N 426.521 1.294 30 10 IDEE CC(C)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855723651 OJCAJQQSXPTOLZ-FUHWJXTLSA-N 432.546 1.569 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2=O)cc1 1856304842 XQHCSIDYYIGMKI-UHFFFAOYSA-N 435.408 1.833 30 10 IDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c(OC)c1 1874337202 GLIWDRLZYSNCOC-BMZJSHLCSA-N 446.533 1.479 30 10 IDEE C=CCOCCCC(=O)N1CCC(=O)NCCN(c2snc(Cl)c2C#N)CC1 2060424996 UUOQZNXROYNKSD-UHFFFAOYSA-N 425.942 1.806 30 10 IDEE C#CCn1ncc(NC[C@@H]2CN(C)CCN2C(=O)OC(C)(C)C)c(Br)c1=O 2162334463 KLFDHCUZLKCVJO-CYBMUJFWSA-N 440.342 1.602 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 2171817176 IBWCGCSXRPAPMD-MGPUTAFESA-N 434.493 1.013 30 10 IDEE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCN 2186639948 ZFBUPSBXXSDXKM-AWEZNQCLSA-N 446.554 1.510 30 10 IDEE Cn1ncc(C(=O)NCCC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255538790 PNXODNTWIQGCFG-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255631747 DGUSSIJYVBDSRV-ZYHUDNBSSA-N 430.236 1.238 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255647690 CFONIWKWVNFPOB-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE Cn1cc(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2255816676 JLBJUPLZTGIELM-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cn1ncc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2267010444 UGVCVNIBXXFAGZ-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)n1 2267108724 INLWSTTVWNSEOA-MELADBBJSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267198287 WABHPIUWVTUCRQ-ZFWWWQNUSA-N 448.329 1.045 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267526074 MNFIAXYHLJKWFX-QLFBSQMISA-N 446.357 1.942 30 10 IDEE CC[C@@H]1[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267543085 BHSZMBYVBZQZLL-UONOGXRCSA-N 449.361 1.632 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)nc2)OC1(C)C 2267597276 UOLSQFHXYNTGEH-CYBMUJFWSA-N 441.259 1.912 30 10 IDEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267604299 FIQDZRPFLBRLEY-ZDUSSCGKSA-N 449.361 1.442 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2269070796 JUQZBKCFKJKQGF-UHFFFAOYSA-N 439.321 1.697 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2269707022 HWDGYKRKUOZJSA-HZPDHXFCSA-N 447.341 1.711 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(S(C)(=O)=O)C3)cc2Cl)OC1(C)C 2282843298 LELUTGIYWOGTJL-UHFFFAOYSA-N 441.789 1.118 30 10 IDEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1C 2296115546 CQCBQFUWQODDPG-SFHVURJKSA-N 426.473 1.796 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 2315601359 CQAJEMDPFZFEGF-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)c1ncc(I)s1 2365196117 JCFFRCGTDMGRBW-PSASIEDQSA-N 428.317 1.196 30 10 IDEE CC(C)[C@@H]1C[C@@](O)(C(=O)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OCc1ccccc1 2370885830 NYCAOVHKFIQAQF-AVRDEDQJSA-N 433.526 1.934 30 10 IDEE COc1ccccc1CN1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21 254824682 JDLUBAPAJFFQFJ-HIFRSBDPSA-N 426.516 1.547 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cnc(N2CCOCC2)c(F)c1 463292328 ZXBFZTQBLFJOCO-OAHLLOKOSA-N 440.483 1.139 30 10 IDEE CN1C(=O)C[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@H]1c1cccnc1 510384680 NZMUAPJLQNAXJV-XMSQKQJNSA-N 443.511 1.990 30 10 IDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 517674510 ULLNAADEOMQNHX-HXUWFJFHSA-N 446.573 1.818 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(Cl)ccc2Cl)c(=O)n1CC(N)=O 533579235 GLBDIXHZLQFQTA-UHFFFAOYSA-N 436.320 1.574 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 576571066 LRZSRLDTISARGL-LBPRGKRZSA-N 425.433 1.808 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCO3)CC2)c1 583825416 OMBBVWNUFWXDTK-QZTJIDSGSA-N 425.493 1.138 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2occc2Br)c1=O 735295362 UOTAKXRTWAZNKM-UHFFFAOYSA-N 437.315 1.784 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 756754413 XPCQCMRUOPSMRH-NSHDSACASA-N 447.307 1.414 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C1 756884387 NBFPZDTVLWYYAV-USXIJHARSA-N 428.489 1.872 30 10 IDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1COC[C@@H]1C(=O)O 757472122 UQOVWQMDYOYRCQ-SFTDATJTSA-N 434.448 1.744 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)c1 763460835 NSDORACDPAAZHT-UHFFFAOYSA-N 432.505 1.209 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](C#N)c1ccc(Br)cc1 766778694 XKHQYKJHIVUXNV-CYBMUJFWSA-N 425.283 1.771 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 767488649 FUWWKPGOKDUGTH-QNBXZPKWSA-N 428.551 1.831 30 10 IDEE C=CCc1ccc(OCC(=O)NS(=O)(=O)c2scnc2C(=O)OC)c(OC)c1 768018965 VXDDPOHWQCPMOY-UHFFFAOYSA-N 426.472 1.551 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1 768512884 KBRYQFOGGYWHFW-UYAOXDASSA-N 445.928 1.953 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(C)c2C2CC2)c1 770778800 RSGABAIHMAWQFQ-ULJHMMPZSA-N 444.517 1.688 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)CCCC)cc1)[C@@H]1CCS(=O)(=O)C1 774018068 PSQUVONCYQUZLN-QGZVFWFLSA-N 441.575 1.761 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774254522 WCNDPEXXKOCQDC-SJORKVTESA-N 435.546 1.362 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 788076471 NLZWZLUQMYYLCW-UHFFFAOYSA-N 435.531 1.424 30 10 IDEE C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 858004673 KBZLYBQUXSHMFV-TVRMLOFPSA-N 428.470 1.089 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 915873276 CJMCSWRWDGJJRO-NSIAZDCZSA-N 436.559 1.892 30 10 IDEE Cc1nn(Cc2ccccc2)c(C)c1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 917355895 PMCHOWCOTVNXDU-FQEVSTJZSA-N 445.548 1.977 30 10 IDEE C=CCc1cccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)c1O 1084515631 BUUPXYHQDPERAQ-UHFFFAOYSA-N 427.490 1.874 30 10 IDEE O=C(NO)c1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1139227263 LQSSJMZHYBGGLP-UHFFFAOYSA-N 442.497 1.283 30 10 IDEE C=CCCn1cc(C(=O)NC[C@H](O)COc2ccc(I)cc2)nn1 1150176316 ONNNHQATOYGNLS-ZDUSSCGKSA-N 442.257 1.629 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccc(C#CCO)c2)C1 1154558379 YMBCAWCPRHYDMW-SFHVURJKSA-N 436.530 1.184 30 10 IDEE COc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1=O 1189869178 QZSFPGPKHQYJQJ-KRWDZBQOSA-N 429.408 1.313 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(OC)(OC)[C@@H](O)C2)cc1 1197316130 MPZBCJBVUXWUBC-FQEVSTJZSA-N 442.516 1.969 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1286322021 CCKAOOWEBFCTIG-IRXDYDNUSA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1286390425 AQSZQJIJQSRCMY-HXUWFJFHSA-N 438.557 1.656 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1286399606 KDDSPEYXELTNTH-CQSZACIVSA-N 437.472 1.318 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1286427586 CEUDZNDATQFYPY-SFHVURJKSA-N 426.542 1.775 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286461699 VPQZCSLDLIAJRL-RTBURBONSA-N 446.596 1.488 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1286485808 YPNYEIOEARDBER-HXUWFJFHSA-N 443.573 1.500 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 1286495159 RWJKKYKMAPABEP-UHFFFAOYSA-N 433.607 1.956 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1286501247 QTVCWWUERYOQCR-UHFFFAOYSA-N 447.996 1.618 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286530739 DABJITADXYYKMJ-KRWDZBQOSA-N 427.391 1.726 30 10 IDEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286704170 LKSHVLULHLUIPM-MRXNPFEDSA-N 428.468 1.109 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(=O)NCC)C1 1286799237 UKBQIPPXRZSUBT-INIZCTEOSA-N 441.536 1.869 30 10 IDEE CC(C)OCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1288382722 AVBAAKNBNGBXPY-SJLPKXTDSA-N 436.582 1.172 30 10 IDEE C=C(CN(C)C)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1293460251 DYXLKDOWMDVWJM-UHFFFAOYSA-N 425.551 1.339 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)NCC)s1 1297741743 UQUWWINFZKBJOY-CQSZACIVSA-N 429.564 1.882 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1299186126 HKMBSPGCLMARNL-QGZVFWFLSA-N 425.537 1.500 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1300339274 LEJLDWRHIPJXJF-KKSFZXQISA-N 449.552 1.929 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1300489235 KDDHZBOOMPJDKF-MRXNPFEDSA-N 445.936 1.586 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)C(C)C 1300527957 MXQXZRVNIWCRKI-UHFFFAOYSA-N 427.578 1.651 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300756135 GIBYBESYURUSCD-MRXNPFEDSA-N 434.566 1.653 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1300980050 CTJZJMDJUZAKSG-UHFFFAOYSA-N 430.534 1.491 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1301125944 RAXGGYIFNAKCJZ-IRXDYDNUSA-N 442.607 1.550 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301220285 TUMXTCJSBRVURE-KRWDZBQOSA-N 442.501 1.623 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@@H]1C 1301381286 YDDVBPMJFFWZKY-IIBYNOLFSA-N 446.577 1.957 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(N(C)C(C)=O)CC1 1301492841 OWLRRHBNEQKYHL-UHFFFAOYSA-N 440.504 1.423 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1301500062 IZXTXVIVZCYEMO-AWEZNQCLSA-N 431.493 1.878 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCC)CC1 1301501527 YTPPNHIIBHDJCO-SFHVURJKSA-N 432.569 1.607 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC(=O)NC2CC2)CCO1 1303004920 VJSHXBPPQNSDLI-HNNXBMFYSA-N 430.459 1.935 30 10 IDEE CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1314486194 GCZGSOZEIPEOCJ-GOSISDBHSA-N 448.549 1.156 30 10 IDEE COCCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1356310535 BEJDORKNUISGMY-AWEZNQCLSA-N 445.335 1.752 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1358948452 CQRLQFIZXQRBPL-MRXNPFEDSA-N 444.557 1.999 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1358961561 BHAROPBGJJPCNI-OALUTQOASA-N 429.546 1.784 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1359027108 WEBAFUIPTVWEPQ-UHFFFAOYSA-N 434.504 1.320 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1359034895 FXLOCHVXDWTIJN-IEBWSBKVSA-N 440.523 1.981 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1359232535 XBTVFSFAYGGHFL-SFTDATJTSA-N 437.610 1.760 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359295991 SXXRBEIGLDUOLH-UHFFFAOYSA-N 448.531 1.396 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2)CC1 1359307039 YOXVGBUWGCQFCB-RXVVDRJESA-N 440.548 1.631 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1 1359332692 DSBKEWDSIUSTLQ-QGZVFWFLSA-N 438.575 1.417 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359865034 VDBIITOZQVDJHH-HOTGVXAUSA-N 430.475 1.859 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3ccc(C#N)cc3F)cc2)CC1 1360501965 ZOGXKMBAPVGJLY-UHFFFAOYSA-N 431.445 1.634 30 10 IDEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1435542436 MWHYWGKNMKLKIB-ROUUACIJSA-N 442.472 1.332 30 10 IDEE C=CCOC[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OC 1448497297 RDYWPOLMVFDGIV-AWEZNQCLSA-N 434.308 1.224 30 10 IDEE Cc1c(C(=O)Nc2cccc(OC(F)(F)F)c2C#N)cnc2c1c(=O)n(C)c(=O)n2C 1460816060 FJPIRNWBUKWJCQ-UHFFFAOYSA-N 433.346 1.963 30 10 IDEE N#Cc1ccc([C@@H]2CN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1460860619 PUQFZMVGKSQLPU-NRFANRHFSA-N 442.541 1.328 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1463719984 HDPLHBHCTONBFI-GJZGRUSLSA-N 435.974 1.354 30 10 IDEE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCc1ccc(C(=O)NO)cc1 1467528368 VTBXGHMWRDGAFW-INIZCTEOSA-N 430.848 1.980 30 10 IDEE C#C[C@@H](NC(=O)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(C)C)C1CCOCC1 1470864307 GRXZXNAIRNGLSG-PZJWPPBQSA-N 431.533 1.303 30 10 IDEE C=CCC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 1471823347 ORGPWJRLQXXSNV-OKILXGFUSA-N 428.938 1.901 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)c1 1473521358 GEZNIAPSLZDFSR-MRXNPFEDSA-N 434.562 1.698 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1499878789 JNLABWNBGYNFML-RTBURBONSA-N 435.532 1.980 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1501401041 DUTARSBRDCQDMC-UHFFFAOYSA-N 434.504 1.918 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507621598 UNGVLTTVHXPMJF-SFHVURJKSA-N 429.594 1.646 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1507628785 IIPNLYMGFRKRIR-IBGZPJMESA-N 438.557 1.970 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507634379 KEHUURLWTZDYLA-MOPGFXCFSA-N 443.573 1.706 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1507715861 JJNSUCBKYIIGOB-UXHICEINSA-N 427.597 1.390 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507749968 DMACOCMKONGXQQ-HXUWFJFHSA-N 449.584 1.988 30 10 IDEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507957311 FZDWWQUZRDFUAL-KRWDZBQOSA-N 442.520 1.769 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1508788970 FGWSFSHZBIFCJI-KRWDZBQOSA-N 425.493 1.483 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCn1cccn1 1509677162 DDUHDIKCVCQMKA-UHFFFAOYSA-N 447.547 1.901 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1512574351 BRWXJRNTNZHTBA-BTYIYWSLSA-N 445.545 1.370 30 10 IDEE CN1C[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)N(C(=O)OC(C)(C)C)CC1=O 1536226537 PRDWYLQSLULHOA-GOSISDBHSA-N 438.488 1.819 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(OC)CCOC1 1539153465 DWHNNLCNWJDMJD-FQEVSTJZSA-N 432.550 1.422 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCN(CC)CC1 1539193450 BIPFIEYLYUDUFJ-UHFFFAOYSA-N 429.594 1.367 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1539632769 UCEGEKRZACHRCY-UWVAXJGDSA-N 433.553 1.495 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCOC(C)(C)C2)CC1 1539828418 JYMRESJLZYKBOR-MRXNPFEDSA-N 426.587 1.156 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(COCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1540140616 YTJUNISYUNLWHA-FQEVSTJZSA-N 438.525 1.696 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540874384 FCXTZWYNQQGFRO-HSZRJFAPSA-N 438.532 1.635 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)Cn1nc(Br)c(Br)n1 1544780887 WSMPPDVGGUAKIY-UHFFFAOYSA-N 441.083 1.805 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1=O 1556383009 CUPBNTFZMQDYRK-GOSISDBHSA-N 443.548 1.998 30 10 IDEE C=C[C@](C)(O)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1557167080 ONBCLEGGNWFTFI-IBGZPJMESA-N 440.522 1.211 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(F)cc(I)c2=O)c1 1559397012 KBZVAFUBGJZEHV-UHFFFAOYSA-N 439.184 1.922 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1588219524 VCURBPDOYLZJHZ-UHFFFAOYSA-N 425.489 1.400 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(F)(F)CO1 1588581343 NZAVDRMBJHTXMX-QFBILLFUSA-N 428.480 1.829 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@@H]2C)CC1 1588961786 MGAASYFDJOMYCI-HKUYNNGSSA-N 442.564 1.039 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1589559916 VJKXKVURFDGQIL-PGRDOPGGSA-N 425.533 1.989 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1593769967 UDCWUAAOYBDXJV-JOCHJYFZSA-N 443.552 1.640 30 10 IDEE C=CCn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595452822 CXKCJISTFIULJZ-FQEVSTJZSA-N 441.598 1.803 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1596379185 ZXMAKXPTIACOTA-UHFFFAOYSA-N 448.535 1.777 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2COCCO2)C1 1597630059 SUCITLUSIAJFPX-VVLHAWIVSA-N 448.524 1.193 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1 1611633420 FMQFJCYVVOXKFZ-INIZCTEOSA-N 427.534 1.973 30 10 IDEE CC1(C)CCO[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1611791149 XDHOWQLCRMEFHK-AEFFLSMTSA-N 445.545 1.892 30 10 IDEE CCOC(=O)c1cnn(-c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)c1C 1617486905 JWXDOUPIDZWYND-KKSFZXQISA-N 442.497 1.368 30 10 IDEE CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1617827339 GLVCPILCILWYKF-UHFFFAOYSA-N 438.536 1.986 30 10 IDEE CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1618989395 OAWQGAFQIUXAJU-ZWKOTPCHSA-N 438.536 1.493 30 10 IDEE COC[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1619585054 DMLYYQHFOLBGAK-DOTOQJQBSA-N 440.570 1.024 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)CC1 1623015641 YLCOSHFOKSWVIM-UHFFFAOYSA-N 437.591 1.165 30 10 IDEE C#CCOc1ccc(NC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1623087087 DQUKOEXDJFVGAV-UHFFFAOYSA-N 428.514 1.961 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)C(=O)OCC 1624251630 HLSYSJGBMXPKRU-ZDUSSCGKSA-N 429.905 1.997 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)s1 1627099476 AEIRPJPBQGJXNV-UHFFFAOYSA-N 440.635 1.241 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccc(CN3CCNC3=O)cc2)C1 1634107610 GCLNUAIORFFCGN-ROUUACIJSA-N 442.520 1.770 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)NCCS(=O)(=O)C3CCOCC3)CC2)c1 1635436842 FABPEEUABNUVHI-UHFFFAOYSA-N 434.562 1.416 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CN(c2ccc(C(F)(F)F)cc2)C1 1645813149 XQTFHPLJFKJQLF-UHFFFAOYSA-N 438.431 1.749 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1647925058 VERZIWYQSRVETI-QFIPXVFZSA-N 439.516 1.577 30 10 IDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@](C#N)(c2ccccn2)C1 1647980705 IKBPEZKDYFHEAZ-VGSWGCGISA-N 441.557 1.334 30 10 IDEE C[C@H]1CS(=O)(=O)CCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1648399397 HDSWCALQGNMNFT-IRXDYDNUSA-N 448.589 1.865 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)c(-c3ccccc3)c2)CC1 1654309428 ZZUREABLRGLZMA-UHFFFAOYSA-N 441.553 1.808 30 10 IDEE C#Cc1ccc(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 1655233453 TZBYJKBZZSBBLS-IBGZPJMESA-N 430.501 1.803 30 10 IDEE C#C[C@H](NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1 1677377290 GMACSKJPEQKSLM-OALUTQOASA-N 435.366 1.829 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)C1 1685267229 UPPPQXULVBBHSG-POTGORPSSA-N 433.549 1.637 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1689875199 MKSFJZWPLXNZTD-ZDUSSCGKSA-N 437.488 1.585 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1689972324 LMWKXGXAXGUSED-LJQANCHMSA-N 436.516 1.636 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1690077772 WKVYVMDHRQLYDP-INIZCTEOSA-N 434.541 1.524 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccn2C(F)F)CC1 1690113638 PLFZYWCDZMBJIV-HXUWFJFHSA-N 435.479 1.325 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(S(C)(=O)=O)CC2)CC1 1690135492 YAVXCKLGDJKBIF-QZTJIDSGSA-N 449.621 1.529 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690304901 QPHKUOVONSZUNX-UHFFFAOYSA-N 449.559 1.810 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1690398810 HGKBVPRFRVAQHW-SJLPKXTDSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690665823 QPPKRWJGGSAYIQ-UHFFFAOYSA-N 445.483 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690715281 HIAJEJKHYXFHIR-QAPCUYQASA-N 430.596 1.407 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1690891257 IZJCVWNIQKAGBR-IOJLRTSASA-N 435.532 1.979 30 10 IDEE Cc1ccc(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1693114344 OLCZXEIXVHVIEZ-QQMHEVNUSA-N 435.488 1.832 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1696999693 HJKNNHKMNQZTMF-UHFFFAOYSA-N 447.547 1.399 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc(C#N)o1 1698237457 LIIJRGCWOGHQCQ-KSSFIOAISA-N 449.533 1.528 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 1705533527 YHUWNZOVWTUFQT-QUCCMNQESA-N 444.557 1.878 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCC(O)CC1 1705549643 CXPFSCJKIAKVOL-UHFFFAOYSA-N 449.559 1.591 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705564420 OBTOHHYFJLVICN-GOSISDBHSA-N 431.562 1.727 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1705579981 AMYKGNSEPILTON-UHFFFAOYSA-N 446.511 1.289 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@H](C)C1 1705588694 IUMLCGWAWZLSIF-OTWHNJEPSA-N 434.610 1.472 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2F)CC1 1705635431 YSAJQNLILCCXRI-QHCPKHFHSA-N 443.523 1.881 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1705647844 MTJNTLLDSMBGLV-ZWKOTPCHSA-N 437.548 1.906 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCC(=O)N(CC)CC)CC1 1705647950 MNDCACKERFWCEH-IBGZPJMESA-N 444.580 1.396 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H](O)C1 1705716338 HQTMSTPNLZFRKF-KURKYZTESA-N 441.598 1.565 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1705733832 VNTALZRLWGUQOV-LJQANCHMSA-N 445.520 1.506 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705741367 NTCQBULFMKZWFK-GHDARCQNSA-N 436.553 1.979 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705744701 MEQPWXYJPCPYHK-YJBOKZPZSA-N 449.987 1.255 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C)C(C)(C)C2)C1 1705921960 CJSAHSXBSKTHBK-SFHVURJKSA-N 426.569 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1705930674 SQMGDHRAKRGJGR-UHFFFAOYSA-N 446.577 1.428 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1706074081 VHFQPBIUYGSNGO-HIFRSBDPSA-N 439.476 1.300 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(C)=O)c1 1712648523 WCMGYXNPFJAHGG-SXLOBPIMSA-N 440.504 1.738 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCN(CC)CC1 1722347113 ZMKFIDUAIKPJNH-GOSISDBHSA-N 444.605 1.444 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722364007 WEFYGPRLGOJESN-HTAPYJJXSA-N 444.557 1.741 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(C(=O)N(C)C)CCCC1 1722369966 DEJZFGIFMHIXOR-UHFFFAOYSA-N 426.565 1.918 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@@](=O)C(C)(C)C)CC1 1722435924 RNWFTSXJAXWRQA-WJOKGBTCSA-N 443.573 1.976 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722523110 ARVRJRAVKMAPMO-SFHVURJKSA-N 433.582 1.202 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2C[C@H](F)C2)CC1 1722566780 YWPAZVOYBDYHBS-BRWVUGGUSA-N 427.546 1.906 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722693606 UYTKBSKXXWTSDK-FQEVSTJZSA-N 430.896 1.932 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1722705936 JYHZKTHSMUNAPT-OAHLLOKOSA-N 430.484 1.390 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728175350 LBOBNNGKPAFKPU-LZICOFPGSA-N 429.525 1.110 30 10 IDEE CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1728501019 AZHBKTIHHGYIOL-GOSISDBHSA-N 444.561 1.562 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740620642 GCBCHGQPTQUMLW-MSOLQXFVSA-N 428.562 1.451 30 10 IDEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740785903 IGNOCOOWPUFVSO-QZTJIDSGSA-N 446.596 1.946 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(C)(=O)=O)C1 1740979497 JIBFEFOZMLNIIJ-CQSZACIVSA-N 444.517 1.420 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741303730 BJSDVSNVEWSMQU-XMSQKQJNSA-N 425.537 1.782 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1741983227 IERDEZURDUPKAQ-LPHOPBHVSA-N 437.566 1.242 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1743173718 AHYFXXBYCMATIS-MGPUTAFESA-N 431.518 1.125 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1746378931 BDFXHDLHJLUKSO-ZNUSLJCYSA-N 443.552 1.227 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CC(=O)N(C)C 1747186996 DUTCZUICWDGTCM-UHFFFAOYSA-N 448.531 1.649 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1748647238 LCJARPCTGWKKGQ-JTQLQIEISA-N 429.269 1.885 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1748678063 PRBAVEIJNVLSQS-YWBAYFEHSA-N 434.500 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1748864537 YUOSVCAQWZMWMB-UTKZUKDTSA-N 435.594 1.683 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCn2cncn2)CC1 1748979466 AUBPMZCITGWMBD-UHFFFAOYSA-N 447.366 1.816 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCC(=O)N2)CC1 1748999665 AVPKYMLDPIWNMP-QGZVFWFLSA-N 440.573 1.613 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749251425 FGFZLWVQIALFCA-ARFHVFGLSA-N 447.005 1.188 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749272196 LZDKBZUUTKEVJO-UHFFFAOYSA-N 446.914 1.688 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1749668742 DOMZVNWAAQSVKD-MRXNPFEDSA-N 441.492 1.319 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749676772 CWTVTNNMHNCRRV-QZTJIDSGSA-N 425.489 1.870 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760154730 HFTQONMPILSCDK-INIZCTEOSA-N 449.606 1.470 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1760233329 KWCKCRYZWIFHTG-CVEARBPZSA-N 427.596 1.356 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1760450019 BLAXHYWUQCPRHL-QGZVFWFLSA-N 425.555 1.360 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnnn2C)C1 1760537914 TXNSZEWOYYGLIG-QGZVFWFLSA-N 425.493 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760552737 ZFLUSJTZGLENLZ-GOSISDBHSA-N 446.577 1.099 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760553297 AEMBZFKVDSLBEG-UHFFFAOYSA-N 447.521 1.386 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1762611357 MCIKTKQFRXPJJJ-GOSISDBHSA-N 446.506 1.536 30 10 IDEE COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1770306606 HZKKMYQDJFLNKD-RTBURBONSA-N 441.536 1.457 30 10 IDEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1771019684 CHMPZJFDZVENEQ-SFHVURJKSA-N 439.520 1.759 30 10 IDEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1771235019 YDLPZEKLVOPCEI-OALUTQOASA-N 427.505 1.893 30 10 IDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)ON3C(=O)c4ccccc4C3=O)CC2)c1 1772790830 HXLGZCXHJWESRA-UHFFFAOYSA-N 443.481 1.201 30 10 IDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H](Cc1ccccc1)NS(C)(=O)=O 1851177030 GAELTEGGMWTXKA-BBRMVZONSA-N 435.937 1.781 30 10 IDEE Cc1ccc(-n2c(C)nn([C@H](C)C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)c2=O)cc1 1851713665 LGUZEXGSNGSBKI-DNVCBOLYSA-N 434.456 1.842 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)Cc4ccsc4)C3=O)CC2)CC1 1853729792 DTPBXUGOSSMTES-IBGZPJMESA-N 428.558 1.892 30 10 IDEE C[C@@H]1C(=O)N(C(=O)CN2CCC(F)(F)CC2)CCN1S(=O)(=O)c1ccccc1C#N 1855737981 NSNHOGSGJUPCOT-CQSZACIVSA-N 440.472 1.037 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)COc3cn(CC(=O)O)c(C(=O)O)cc3=O)c2C#N)C1 1857883853 AYTVUEGSVZQXGI-SNVBAGLBSA-N 445.453 1.707 30 10 IDEE CC(C)(C)OC(=O)N(CCN)C(=O)CNC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868782556 KGZNTAFQWVJXKB-MRXNPFEDSA-N 449.577 1.863 30 10 IDEE CCN(CC)CCNC(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934051 XNMAGWAOKGGCSA-IBGZPJMESA-N 446.548 1.934 30 10 IDEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN(C)C)CC1 1870350237 VYGXZNNPYOLHEX-UHFFFAOYSA-N 437.544 1.525 30 10 IDEE CCCCCCCOc1cn(CCNC(C)=O)c(CN2CCN(C(C)=O)CC2)cc1=O 1870414260 IWSBDIRXUPAROR-UHFFFAOYSA-N 434.581 1.998 30 10 IDEE C=CCN1C[C@H](C(=O)N(CCN2CCOCC2)Cc2ccc(OC)c(OC)c2)CC1=O 1873018670 WQBJWXNTXUYGDF-LJQANCHMSA-N 431.533 1.399 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873560925 BXPUBKHYVZWZCB-HUUCEWRRSA-N 426.521 1.568 30 10 IDEE C#CCN(C)C1CN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 2016608512 ZUMCKXJPTUGSHX-IBGZPJMESA-N 429.517 1.789 30 10 IDEE C=C[C@@]1(CO)COCCN1C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2079179278 SPSDOHIEAFBZBA-RPWUZVMVSA-N 445.560 1.932 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2224139586 MNYUNINJPOWOJV-HRCADAONSA-N 435.330 1.134 30 10 IDEE C[C@@H](COCc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247954384 XYQWBSXOJVIFDE-HNNXBMFYSA-N 435.355 1.603 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401273 HDUKTHRRMNBMEK-BXUZGUMPSA-N 441.359 1.333 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248441739 HHVCFBODILQETJ-LBPRGKRZSA-N 441.359 1.334 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248445282 KJBREKTXBJCFRB-LBPRGKRZSA-N 441.359 1.334 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 2255648271 ARSOBZDRJGQZLX-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255651364 IOSOACSXONZNPG-OAHLLOKOSA-N 432.330 1.905 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2255819520 BRYMLZRVYIXNIY-STQMWFEESA-N 432.330 1.314 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1 2255881255 SZJYRVNSJNIYMN-BETUJISGSA-N 435.334 1.147 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)nc2)OC1(C)C 2256926767 DUNLNTYSEYVQHV-GOSISDBHSA-N 426.278 1.781 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2272649728 DLEWBVCKEMPPHO-ASSNKEHSSA-N 447.345 1.101 30 10 IDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O 2327842526 LZEITJRUGNPASJ-CYBMUJFWSA-N 446.533 1.566 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCC[C@@H](O)CCO)cc2Cl)OC1(C)C 2379853207 FYGITNBXMNPSCF-SNVBAGLBSA-N 425.765 1.112 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 43755398 UQABSHTZIKUSOC-HNNXBMFYSA-N 444.469 1.767 30 10 IDEE CN(C)C(=O)c1ccc(C#CCNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)cc1 96348242 FASGBOJORDEIFC-KRWDZBQOSA-N 436.537 1.639 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N(C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 433064922 AKJVKFDRYTXWLP-BQIYRTECSA-N 436.578 1.964 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccc(C#N)cc2)cc1 440181422 BGYSMXLQWJPEFE-UHFFFAOYSA-N 430.486 1.380 30 10 IDEE CCO[C@@H]1C[C@](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)(C(=O)OC)C1(C)C 440875200 MOJHJFDLBCTMTF-AUJRIZCKSA-N 437.518 1.088 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)[nH]n3)CC2)cc1 448516310 IVRGCXBLYSHZHZ-UHFFFAOYSA-N 427.408 2.340 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 460587691 VSQVZFAKBHIBIF-SJORKVTESA-N 431.566 1.652 30 10 IDEE COCC[C@@H]1CCCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 467272356 BJIQOCQMCDHSGH-IBGZPJMESA-N 448.589 1.530 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@](C)(O)Cn3ccccc3=O)c(C#N)c2N)cc1 468275920 FQWQAPMJXGBKJC-HSZRJFAPSA-N 434.500 1.296 30 10 IDEE C=CCNC(=O)CNC(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 474458931 VVFCFDJYCYFGNX-FUHWJXTLSA-N 430.505 1.272 30 10 IDEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 476516882 YZBHRYLQOLDBRS-UHFFFAOYSA-N 437.930 1.977 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1C[C@H]1CCCO1 485928139 AXAYAIOEUIOWKH-MRXNPFEDSA-N 447.919 1.687 30 10 IDEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CCN1S(=O)(=O)CC1(C#N)CCCC1 498875792 WHHWZJNVEPPACO-QGZVFWFLSA-N 442.607 1.820 30 10 IDEE COCc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)no1 502008847 JPBQKSCQINFGKN-ZDUSSCGKSA-N 432.380 1.869 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H]3C(=O)N(C)C)nnc12 503826365 HUMNDBLOFRPDTF-INIZCTEOSA-N 440.529 1.402 30 10 IDEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 507420463 ATGJHFFQZNGKAG-MSOLQXFVSA-N 445.545 1.860 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508462542 XNIGFDSJBYYOIQ-NRFANRHFSA-N 444.561 1.488 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 514835879 UUQNHJSRSQNFEK-CYBMUJFWSA-N 433.480 1.395 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 534401812 SQIKUXCGOLCGPU-CQSZACIVSA-N 447.919 1.663 30 10 IDEE Cc1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)cc1S(=O)(=O)NCC#N 540121382 ZYLXRLYHEHHRPO-KRWDZBQOSA-N 431.518 1.361 30 10 IDEE Cc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(S(=O)(=O)N(C)C)c1C 544833062 CFRQNUOTWJPKIE-UHFFFAOYSA-N 427.530 1.783 30 10 IDEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546169628 DKZJFYWLXFMCDT-NRFANRHFSA-N 434.475 1.970 30 10 IDEE COC(=O)[C@@H]1C[C@H]2[C@H](CC[C@@H](C)N2CC#CCN2[C@@H](C)CC[C@@H]3O[C@H](C(=O)OC)C[C@H]32)O1 556534153 OEBHFZITWSIKOL-VJAZUCGMSA-N 448.560 1.357 30 10 IDEE COc1cc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc1C#N 567576454 FKPQQLRSTQSQRR-UHFFFAOYSA-N 443.529 1.825 30 10 IDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1C 589156932 DWTCWTTZBVCWHE-UHFFFAOYSA-N 427.526 1.139 30 10 IDEE COCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609496789 GTJZXDRTDNTADR-UHFFFAOYSA-N 429.498 1.730 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 684666214 VCLNFNWSTULGFM-QFIPXVFZSA-N 434.540 1.474 30 10 IDEE O=C(/C=C\c1cnc(N2CCOCC2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 726366185 SVASOBKZDIRWPI-UTCJRWHESA-N 449.554 1.897 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CC1 729833815 LSZPILFDHLENBJ-UHFFFAOYSA-N 447.467 1.635 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 753752512 KQZHXSYURZCDGA-SWLSCSKDSA-N 442.538 1.175 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC2)n1 760790265 CADXECPYROTEPH-UHFFFAOYSA-N 437.481 1.223 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1cc[nH]n1 770836410 WSJDXQUJHJKZIC-GJZGRUSLSA-N 444.492 1.019 30 10 IDEE CCOc1ccccc1CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 799584553 GVEGXBJXZDHATI-SIUCFOQUSA-N 441.532 1.827 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1=O 804670770 CEYKJFKWUXCTBV-MSOLQXFVSA-N 444.532 1.614 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC[C@H](C)F)C1=O 814708144 CVOZUJKQJCTWRL-KQWBMHLXSA-N 430.527 1.018 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C[C@H]1CCCO1 917768571 RECYOUKFGVDDQW-GOSISDBHSA-N 449.536 1.398 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)c(C)c1 1084258169 XERQPIZXUGNGLH-UHFFFAOYSA-N 443.489 1.897 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1116585603 GEUBAPCWVBYEEU-RBUKOAKNSA-N 442.516 1.974 30 10 IDEE C=CCn1cc(CNC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)nn1 1129930379 HSBAMGAJAZWGPT-UHFFFAOYSA-N 428.312 1.407 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1136545389 YUUBZYLBSOLYSQ-QGZVFWFLSA-N 434.468 1.802 30 10 IDEE Cc1c(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cnn1CCC#N 1138303739 IPYXEFSFIMBQRT-UHFFFAOYSA-N 437.485 1.899 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N3CCOCC3)ccc2c1=O 1143136665 RIYUJNPVSRQPHJ-SFHVURJKSA-N 444.557 1.875 30 10 IDEE COc1ccc(S(=O)(=O)NCCC(=O)N(C)CCc2cccc(C#N)c2)cc1OC 1150423586 MLJWUUFFYQUQCV-UHFFFAOYSA-N 431.514 1.945 30 10 IDEE C=C(C)Cn1c(SCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)nnc1-c1ccco1 1176602071 CXGALHICMRUQNG-AWEZNQCLSA-N 429.506 1.403 30 10 IDEE COC[C@](C)(CC(=O)OC)NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1191799796 GXMLFPKJCNMQGH-MWTRTKDXSA-N 446.548 1.914 30 10 IDEE N#Cc1cccc(OCCCN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c1 1196430043 WYHPTFUHZPENOE-UHFFFAOYSA-N 428.558 1.923 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 1222616379 AMNJFRAMUABFEH-UHFFFAOYSA-N 438.569 1.916 30 10 IDEE N#C[C@H]1CN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCN1Cc1ccccc1 1230308252 IAYPNDYDJZOLPO-OALUTQOASA-N 440.525 1.641 30 10 IDEE C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CCOCC1 1280098323 WWMLDIBNZKWHGB-AEFFLSMTSA-N 432.498 1.168 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286299260 UVLRMKVUUUSFRQ-ARFHVFGLSA-N 439.582 1.894 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1286389927 SYLKCTOJTHZNOA-WMZOPIPTSA-N 445.520 1.238 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2occc2C)CC1 1286495065 XHZAQZZIBIBYID-QGZVFWFLSA-N 445.545 1.096 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286601277 JVQHNZYGRNBRTA-IBGZPJMESA-N 432.569 1.408 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286693606 VZSUIRFGNPKMNY-DLBZAZTESA-N 440.614 1.544 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1286721979 AJHPSMBOMPVQOW-UHFFFAOYSA-N 430.534 1.732 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OC)c1 1286727294 OVHOZENGTIMKAD-GOSISDBHSA-N 435.550 1.485 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1286740551 PNEGBPVQJHICKX-OALUTQOASA-N 427.505 1.846 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1286758792 VCSUADNZGRFLLD-HZPDHXFCSA-N 428.580 1.326 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1 1286778694 DECSHGRIFZPXOU-WBVHZDCISA-N 432.550 1.532 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 1286787930 MJZHJHBDVFWMDS-LJQANCHMSA-N 432.569 1.371 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 1286790099 ZYTIPKNHKAOOPC-UHFFFAOYSA-N 440.445 1.995 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286792067 LMZZSGPTQJABJZ-ZHRRBRCNSA-N 445.495 1.683 30 10 IDEE N#Cc1ccccc1OCc1cccc(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)c1 1288061098 ARQKYRCMUPGONH-UHFFFAOYSA-N 427.482 1.300 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1288672670 AOVOWNFNJAQBAI-VGSWGCGISA-N 439.495 1.891 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1288775172 CEIYVJJHABSFJL-FOIQADDNSA-N 434.566 1.803 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1288982122 PZFGBKZNSBCKFV-OALUTQOASA-N 435.575 1.610 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)cc1F 1289454205 IBZCRYSNOPDZFS-WMLDXEAASA-N 427.484 1.845 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1292134176 QGNQLHRMTYSOMC-SFHVURJKSA-N 449.519 1.759 30 10 IDEE CCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1293819481 BMDBKTGSRLHHFN-AVRDEDQJSA-N 440.552 1.732 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)ccc1F 1299977997 OMIXWMBIPSOTDW-IBGZPJMESA-N 440.537 1.978 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@H](C)C1 1300310929 QCIIEMQMIWDKNU-MLHJIOFPSA-N 439.582 1.274 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300491322 HAEDADULXNUWFB-MOPGFXCFSA-N 441.557 1.407 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(OC)CCOC1 1300671975 RYYXJUXFLZFPLT-DENIHFKCSA-N 428.489 1.682 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1300992441 ZNRLHFGFZWXORI-CABCVRRESA-N 430.475 1.895 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 1301486403 VSDNZXBYIOITMB-SJLPKXTDSA-N 448.589 1.903 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301492356 GNQHZOXJQGEWFN-MRXNPFEDSA-N 433.516 1.853 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCC1 1301575565 IZDOMZZEAARAHB-UHFFFAOYSA-N 438.575 1.938 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301728094 UWLBGCLXNSRAGB-QFIPXVFZSA-N 439.520 1.426 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2nccn2C(F)F)cc1 1302991339 FUNNGHMVTGNUQH-UHFFFAOYSA-N 433.444 1.691 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1303003308 FESFMDFPVRMBAK-FUHWJXTLSA-N 426.477 1.036 30 10 IDEE CC(C)CN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1303196165 RHUDWIAUKADYTG-QZQOTICOSA-N 427.553 1.535 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1C#N 1306286516 SCUVRSIZYUKDFT-APWZRJJASA-N 440.504 1.798 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCS(C)(=O)=O)c1 1358902031 CRWVFVSXMYPBJM-KRWDZBQOSA-N 445.545 1.273 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1358930559 XQVQAMDQUQIADC-IBGZPJMESA-N 429.546 1.587 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358961627 CANSBJQALRQQJU-SJORKVTESA-N 449.577 1.205 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nnc(C)s2)CC1 1359044978 SYONSNHEYJMJHG-MRXNPFEDSA-N 429.550 1.346 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359054266 OYZCRGGOFQGCMD-XLIONFOSSA-N 441.605 1.628 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C 1359106942 XUHLQBMCKNYNGI-BCYZHJNNSA-N 433.553 1.650 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1359113904 SXKZTNXUVZQWLD-INIZCTEOSA-N 429.612 1.563 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359226952 QACXZHQHDKLIAW-WCJKSRRJSA-N 446.552 1.925 30 10 IDEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1359273708 KWUZOEOZFDGWML-OAQYLSRUSA-N 432.546 1.894 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1359305872 PJEQXSPTBTWQJN-GCJKJVERSA-N 433.553 1.485 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359309686 ATYGAXGTGXEMEP-GOSISDBHSA-N 442.545 1.915 30 10 IDEE CC(C)(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359584699 HFRUILFNCYMXPO-INIZCTEOSA-N 425.493 1.579 30 10 IDEE C#CCC1(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CCOCC1 1439368488 JBPGHCDIVZEINW-UHFFFAOYSA-N 446.573 1.928 30 10 IDEE C=CCN(Cc1cccs1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1440878132 AXCRSKPNVNWOKA-UHFFFAOYSA-N 428.557 1.645 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1444776780 ITAVJAJQBDRKLP-SFHVURJKSA-N 438.337 1.953 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](Cn2ccnn2)C1 1453218058 YLDFWGGSTRDTCM-RDJZCZTQSA-N 430.534 1.280 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(N4CCOCC4)CC3)C2=O)cc1 1454249644 UFBNDKRNNAACPH-LJQANCHMSA-N 425.489 1.086 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C2 1460925032 KVJCMVPJBCNPAU-WMLDXEAASA-N 441.561 1.749 30 10 IDEE N#CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F 1462890789 HLYGROJUHAQLAW-BXUZGUMPSA-N 434.396 1.956 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1469544407 GQQLKBNHFVDMOE-MRXNPFEDSA-N 433.424 1.800 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1472192218 VGMNEHAXIBPISI-ORYQWCPZSA-N 433.530 1.823 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 1475470799 VGWUCUVABGSHFL-UHFFFAOYSA-N 448.538 1.943 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2)c(=O)nc1O 1479118734 IBOWVWDLHFPEPN-CVEARBPZSA-N 433.827 1.710 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1503123444 MRUOUAHJQBWVBK-GOSISDBHSA-N 448.549 1.203 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)C1 1503680663 YBKRKMQUQRTWTP-IFXJQAMLSA-N 447.337 1.503 30 10 IDEE COCCOCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505053030 VCMBRFDZXQEJQV-UHFFFAOYSA-N 435.488 1.462 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCCC1 1505083601 YLTXKZXBRWDDOJ-OTWHNJEPSA-N 432.569 1.995 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1507637708 MGRSDRBZHTWKSK-ZWKOTPCHSA-N 430.530 1.445 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 1507658186 GDLNMKVPCAQCFS-UHFFFAOYSA-N 441.557 1.525 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1507687658 REUHFYBGTJAWSF-UHFFFAOYSA-N 442.545 1.569 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1507711164 PEUDLZIPSCTJGL-SFHVURJKSA-N 447.561 1.148 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507844612 MIEPGTUYZXSFMU-ZWKOTPCHSA-N 441.598 1.530 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507903146 JHYSGEPBBUPNIG-RBUKOAKNSA-N 443.596 1.574 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508151017 JIBHSQYSKQVHQF-HNNXBMFYSA-N 439.549 1.507 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCN(C)C)cs1 1511546143 HQFXVUHQZAZUHA-LJQANCHMSA-N 444.609 1.389 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511700771 ZIFGEUSUUMRIFR-SYKNXXTESA-N 438.536 1.901 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1516041812 DCXXFQJNVBBSLO-UHFFFAOYSA-N 449.519 1.857 30 10 IDEE CCOCc1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516554497 VEJPKUGUVWNHPR-UAFUQJIBSA-N 443.552 1.406 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)nn1 1522119901 UFSISFFIYAEKPD-UHFFFAOYSA-N 447.517 1.178 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OC 1535347089 NSOMGVLEKHAXQD-ZBFHGGJFSA-N 436.486 1.248 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1539126501 WNXHNHJHOFJAOF-MRXNPFEDSA-N 431.518 1.149 30 10 IDEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1539206368 OFQXPPKFMJMYCM-QGZVFWFLSA-N 448.545 1.482 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539212722 XIHCUDMHECJUPN-GOSISDBHSA-N 430.578 1.396 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(SC)CCN(C)CC1 1539237613 HBJFFQWVECSTSF-JOCHJYFZSA-N 431.606 1.830 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1539265397 FPCBHYGFTQUQGT-OAHLLOKOSA-N 426.527 1.306 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1539296906 VSODGPBPRTWWPF-UXHICEINSA-N 448.637 1.719 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCS(C)(=O)=O)CC1 1539461182 BAUPBBVICBZMOR-UHFFFAOYSA-N 431.562 1.219 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1539512946 HFIQYVRDGZPGRO-SJORKVTESA-N 432.594 1.728 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539798115 CSDOUFSIIPVQIO-ROUUACIJSA-N 430.940 1.837 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1539868541 JXLGFKKHTHGDDO-UHFFFAOYSA-N 446.577 1.775 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nnn(C)n2)CC1 1539872095 ZCZUTMJPXMZGCB-UHFFFAOYSA-N 441.927 1.836 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C1CC1 1540093757 AASBAJBYFIGJNM-WMZOPIPTSA-N 444.559 1.917 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Cc4cc(F)ccc4NC3=O)CC2)cc1 1540648028 RZHXVLBDMDJEBQ-GOSISDBHSA-N 442.472 1.341 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540866864 COBDACQLFMQFPL-UHFFFAOYSA-N 438.532 1.751 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1540887840 FGPPLUHVGCKGGB-XOMICKMZSA-N 437.504 1.591 30 10 IDEE CC(C)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541354701 GWYKCLIBKCVAMX-QQMHEVNUSA-N 441.536 1.519 30 10 IDEE CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1541754837 ZLBGEIRGUSIAFZ-SFHVURJKSA-N 438.536 1.638 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1545170611 FLKAYQAMZWTTDX-JPYJTQIMSA-N 435.532 1.790 30 10 IDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1545236900 IJWVSXIQELEVTD-YADHBBJMSA-N 440.504 1.921 30 10 IDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1547245689 TTYNYBKGNCVLNT-APWZRJJASA-N 426.521 1.852 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CCOC)c1 1554385667 GLXBNZMEIMMMEG-INIZCTEOSA-N 436.520 1.526 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H](C)O1 1555388766 KPENVZBUIDRGHN-XWPNQZOQSA-N 427.505 1.597 30 10 IDEE C#CCN(C(=O)CCc1nc(O)c2cnn(C)c2n1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370594 PKXSMGVCSWLNON-UHFFFAOYSA-N 442.520 1.863 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)n1CCO 1559456751 OBOIHRGEBLZVMB-UHFFFAOYSA-N 431.663 1.781 30 10 IDEE COCCNS(=O)(=O)c1cc(NC(=O)C#Cc2ccc3c(c2)OCO3)ccc1OC 1568465501 WNEJENSGRXKYQS-UHFFFAOYSA-N 432.454 1.339 30 10 IDEE O=C1NCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1CC1CCCCC1 1570431287 YQRCDYOMOZFEFM-GOSISDBHSA-N 446.573 1.803 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1570541905 KJNJYMKMAIJCIN-JXMROGBWSA-N 430.501 1.955 30 10 IDEE C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1NC(=O)C(F)(F)F 1586612783 DOCBZBBLFRTUST-DOMZBBRYSA-N 446.451 1.408 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588073809 FGBCZBMDNRNNNW-WAOWUJCRSA-N 438.594 1.944 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1588074025 HMHSGGZWZVRWOB-LPHOPBHVSA-N 438.575 1.411 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1588550388 PGKZSSDAKAKCNU-MRXNPFEDSA-N 443.508 1.136 30 10 IDEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594102744 ZHPQRJBLMVSYOF-FQEVSTJZSA-N 438.500 1.853 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1594962591 MIIRQUCAQCPOGE-ZDUSSCGKSA-N 431.971 1.996 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595522302 BJNVAOBGDVINMH-ZBFHGGJFSA-N 426.477 1.191 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595569135 ANSPOTQHASIJNF-QZTJIDSGSA-N 441.488 1.488 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnnn2C)C1 1595753915 KKPSOAZRLSUIEE-LJQANCHMSA-N 425.493 1.824 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)c1cc[nH]n1 1596518127 MVPPMBKXTKKYNN-MOPGFXCFSA-N 439.516 1.674 30 10 IDEE CC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1596713459 KHPSDZWJINJIKH-FQEVSTJZSA-N 432.488 1.711 30 10 IDEE CN(C)[C@@H](CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1597436022 DYBBMUKAOXYVOI-CABCVRRESA-N 425.411 1.762 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1615213654 RUBQPRZNWYFSLC-SFHVURJKSA-N 433.534 1.229 30 10 IDEE COCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619847403 PXJIEERHGXKTCW-GOSISDBHSA-N 428.541 1.796 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC[C@@H]1C 1620111431 URBUGCBYMWKCJN-MUGJNUQGSA-N 432.569 1.995 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H](CO)NC(=O)OCc3ccccc3)CC2)c1C#N 1625440220 AXFBNPWECJUXMC-KRWDZBQOSA-N 429.502 1.259 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@]1(N2CCOCC2)CCSC1 1625586788 UFICWNXKYFUJPW-OXJNMPFZSA-N 426.583 1.898 30 10 IDEE N#CC1(CC(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)CCOCC1 1634319252 YFHFGPBFUPSYMZ-UHFFFAOYSA-N 427.486 1.877 30 10 IDEE Cn1c(NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1640432088 UIMANOGCUSEZLF-KRWDZBQOSA-N 431.415 1.700 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1640864565 ZRSFHSADNWQNOM-PVAVHDDUSA-N 444.937 1.478 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1)c1cc[nH]n1 1644506128 AXAWVCILKIOWFM-GOSISDBHSA-N 440.504 1.617 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)cc1 1644730109 DJUNQBOILAKVDP-ZDUSSCGKSA-N 441.435 1.244 30 10 IDEE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1647472209 DYEXWHVMNJPHRZ-CFLQYTFWSA-N 430.505 1.276 30 10 IDEE C[C@@](CO)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc([N+](=O)[O-])c1 1648017081 HWHSXCIUYNSPHF-NQIIRXRSSA-N 443.529 1.862 30 10 IDEE C#CCC1(O)CCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)CC1 1648148670 IKKDAPVUKMTFAU-UHFFFAOYSA-N 445.564 1.457 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 1648188317 CLEVLGVYWORFMQ-OAQYLSRUSA-N 439.541 1.394 30 10 IDEE C#CC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2CCC)C1 1648355732 XDNRKTHPRMBSOX-UHFFFAOYSA-N 444.557 1.370 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(Br)cncc3s2)CC1 1650846097 KCDOKUBCYIEDFS-UHFFFAOYSA-N 443.348 1.284 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N3CCN([C@@H](C)C(=O)NCCCOC)CC3)cc21 1675095861 SJZMLKDXPMHCCW-KRWDZBQOSA-N 428.537 1.913 30 10 IDEE C#C[C@@H](NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1)C1CCOCC1 1675454813 QGYWZRJUELXTAV-OAQYLSRUSA-N 428.533 1.575 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(c2ccccc2)c2ccccc2)CC1 1682033672 LCKVOJKVUVGRMC-UHFFFAOYSA-N 426.542 1.613 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1689841614 KONRXVSNSNTTNJ-OAHLLOKOSA-N 427.505 1.702 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1689860620 DPIZKWHZSRWTGO-MSOLQXFVSA-N 437.548 1.527 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1689986297 MVXNCJROQHPLPL-LAUBAEHRSA-N 430.530 1.032 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689992131 IAGOSHPKYWYCPB-HKUYNNGSSA-N 429.546 1.317 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC(F)F)CC1 1690119338 AWXGRKYIHPJWCV-UHFFFAOYSA-N 433.459 1.753 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1690236853 RWJGXIDVECCIMS-AZUAARDMSA-N 444.580 1.848 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cccc(F)c1 1692801904 NRXSIARQYRESOI-PBHICJAKSA-N 436.513 1.389 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CC1 1697012517 BUTASANUFOUZIF-UHFFFAOYSA-N 433.520 1.873 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC[C@H]1C 1697676009 BZHVSWMGRSXMLJ-VQIMIIECSA-N 438.532 1.960 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1697780041 OJYLLDRJPOZHCZ-WBVHZDCISA-N 445.474 1.551 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705539185 LLUHYMAUPKAPAE-WMZHIEFXSA-N 444.580 1.926 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1705588023 STZOEQOMWQCEKR-CALCHBBNSA-N 428.537 1.600 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1705624611 IISYASWBGHNYSV-UHFFFAOYSA-N 444.499 1.732 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1705629111 XLEREASOEHEIJV-SFHVURJKSA-N 432.546 1.632 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1705659492 YKSVEGFVEFAACB-UHFFFAOYSA-N 438.557 1.767 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(CCO)CCOCC(F)(F)F 1705745021 XDZXFXKUECCXPS-UHFFFAOYSA-N 425.839 1.644 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@@H](C)CC)CC1 1705781055 OHFGXKRTWJCSOY-GJZGRUSLSA-N 426.587 1.596 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H]1CCOC1 1705902324 BWVLNCKQKLBVLE-KRWDZBQOSA-N 440.552 1.227 30 10 IDEE CC(C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706434510 AHOLILWLAAELOI-OSCRUYLVSA-N 443.552 1.815 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1706941950 FQLKIWLNDATUSV-FUHWJXTLSA-N 435.532 1.823 30 10 IDEE C[C@H]1COCCN1c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1708259415 SELYRWZPECEPTG-ANNUQZOISA-N 440.479 1.760 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1709942918 JMIKLMQEGSSXBM-GBESFXJTSA-N 445.545 1.370 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)OC 1712153536 XSKPNIOQGPPUGN-WIYYLYMNSA-N 445.545 1.493 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1712688809 DMBQFHGTVUCQBM-SFHVURJKSA-N 442.545 1.356 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(=O)(=O)CC 1722277866 NZRCYHYPPSXSDO-CYBMUJFWSA-N 427.477 1.944 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCS(=O)(=O)C1 1722294531 XHJUDJOYHFOLGC-QVKFZJNVSA-N 441.513 1.608 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722366662 ITUWPAICNKHVSS-RTBURBONSA-N 441.557 1.407 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1722394859 IXKXHXVFXRIRQM-HSZRJFAPSA-N 429.565 1.504 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722441604 LMTKPBCINPVVJX-HXUWFJFHSA-N 436.560 1.835 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)NC(C)C)CC1 1722443850 CHZURBYQILWCDY-MRXNPFEDSA-N 438.598 1.085 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C)n(C)c2=O)CC1 1722445887 DOFAARHLEZAOGS-UHFFFAOYSA-N 433.516 1.294 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCCC)CC1 1722447032 HFEKJPSMLGHZEA-UHFFFAOYSA-N 440.523 1.500 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722693203 GMEIFTKVUCMVRH-MRXNPFEDSA-N 433.534 1.269 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722701576 VTRQAVYTOMXFNJ-SFHVURJKSA-N 435.532 1.929 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1722721628 HYZSKPAQGSEZCX-XXBNENTESA-N 436.516 1.988 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCS(=O)(=O)CC2)CCOC1 1723662178 BNMPVQXEEQPRON-OXJNMPFZSA-N 439.582 1.882 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCO1 1726666200 HEOVHKOSPPGUGM-DOTOQJQBSA-N 430.534 1.323 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)C(=O)NC)c1 1740563862 ZOKAPWVJCKMZAP-UHFFFAOYSA-N 448.531 1.507 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1740619056 MBMGJGWWRHTJEK-GOSISDBHSA-N 432.546 1.743 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740625361 NKXMKUVGYGNRNK-FXAWDEMLSA-N 449.602 1.422 30 10 IDEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1740722448 FJBWPRLUVJVRFK-AVRDEDQJSA-N 449.621 1.990 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740959914 HDQBJSIBXFPMFF-WZONZLPQSA-N 425.533 1.881 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740961747 YJNKVHULXYFYGB-GOSISDBHSA-N 428.512 1.805 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1 1740962293 YNQNKOMMJIQNRL-UHFFFAOYSA-N 441.511 1.304 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)N(C)C)C1 1740977741 KGJUJKUPWBSMGO-KRWDZBQOSA-N 427.505 1.976 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1741292398 HTSRJFKZCRMPCE-UHFFFAOYSA-N 436.520 1.719 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741984101 HGHUZZDXXBTLPN-UXHICEINSA-N 433.509 1.764 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1744834526 MOVMJKYBRNSLOJ-MFRLJGCUSA-N 427.509 1.380 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)C#N 1747433204 MZCWQXWZYFKUGN-AWEZNQCLSA-N 434.522 1.599 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cc[nH]n1 1747728517 BFHMPNWBHKXARN-UHFFFAOYSA-N 447.503 1.175 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC)c1 1748692925 RZHVTFDLHMBQRT-KRWDZBQOSA-N 445.545 1.273 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(N)=O)CC1 1748714751 LILCHBIZPCTZGA-UHFFFAOYSA-N 436.564 1.957 30 10 IDEE C#CCCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1748731158 VYGRQLCYEGLAII-RTWAWAEBSA-N 436.578 1.749 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1748818008 UOCMAEXLPQXPEN-MSOLQXFVSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748818206 XIMVTXNKMWIBIN-ROUUACIJSA-N 438.594 1.689 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1748895297 UZOWQLALTLBKTB-SFHVURJKSA-N 438.919 1.973 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)c1cc[nH]n1 1748914423 DJYKUWHWLMZBOC-UHFFFAOYSA-N 429.488 1.948 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cnn(C)n2)CC1 1748994283 XLOHZMNJUBBDPN-UHFFFAOYSA-N 425.566 1.150 30 10 IDEE C=C(C)COCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1749239370 IMXGMDNAFDGXCI-FGSXEWAUSA-N 433.553 1.770 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1749286788 RGOYUBIZVSJYHR-ZWKOTPCHSA-N 440.614 1.402 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC 1749668589 APKUCXWNJCTTAY-MRXNPFEDSA-N 449.602 1.841 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C(C)=O)CC1 1749680434 LGMKIKSFRBDAAF-UHFFFAOYSA-N 428.562 1.850 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1750061520 QSFLRHNWYUAPHS-CZUORRHYSA-N 429.912 1.736 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1760152449 MLYTWRXDNOAJPV-HSZRJFAPSA-N 433.516 1.790 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CC1 1760194112 ZWOOENHLTNAHSM-UHFFFAOYSA-N 439.541 1.797 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1760224896 CJFPOOJSLNCHRH-CQSZACIVSA-N 435.506 1.156 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760247937 VPHVVFYDVPKVEN-OAQYLSRUSA-N 447.543 1.722 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1760250396 YYMQKIKRIBPMJT-LJQANCHMSA-N 444.557 1.387 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1760273693 ADLLBLIFMIIZJK-DOTOQJQBSA-N 441.623 1.508 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CS(C)(=O)=O)CC2)CC1 1760402074 TXRJHHVAWHFPBL-MRXNPFEDSA-N 442.607 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1(c2ccccc2)CC1 1760554154 SXQVBCGGOVFNQO-SFHVURJKSA-N 443.573 1.998 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1760695335 FZHYHKBRAOXJPQ-PBHICJAKSA-N 430.534 1.118 30 10 IDEE CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1762398867 NVEGOJPBTLRUBR-UHFFFAOYSA-N 440.552 1.561 30 10 IDEE Cc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762629767 HDIDWHSRKSYEHJ-NQKFGRBQSA-N 426.452 1.830 30 10 IDEE CCNC(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)c1 1767205307 FQFVZIBUEBBSBW-UHFFFAOYSA-N 430.516 1.978 30 10 IDEE CNC(=O)c1ccc(CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)cc1 1767635338 BLZNASRTUGYVIN-UHFFFAOYSA-N 447.499 1.909 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1769879014 FWBJJXICCSZLOV-HTAPYJJXSA-N 437.479 1.754 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC)nc1OC 1770201623 AVOIHTWZFVAUJR-WJPUGNRLSA-N 446.483 1.905 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1771529026 HGEJGCOHAQIVLC-CMPZQBNXSA-N 443.458 1.154 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CCOc2ccc(C#N)cc2)CC1 1849841165 SKTUFIWUBUTZJE-HXUWFJFHSA-N 443.573 1.932 30 10 IDEE CN1CCN(c2nc(NC(=O)c3cncc(Br)c3)c(C#N)cc2C#N)CC1 1851259845 TWEIPGXHHNIEOL-UHFFFAOYSA-N 426.278 1.987 30 10 IDEE COCCN(CC(=O)N1C(=O)CCN([C@H](C)CCC#N)c2ccccc21)S(C)(=O)=O 1853644236 XXNJKMDXOFIMSP-MRXNPFEDSA-N 436.534 1.357 30 10 IDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1C 1854418375 FDJKLKVUQGTSOT-QGZVFWFLSA-N 433.530 1.908 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1 1867646636 SIISIKOVVRDZQR-UGSOOPFHSA-N 448.435 1.175 30 10 IDEE COCCn1c(C(=O)N2CCC(C#CCN(C)C)CC2)cc2c(=O)n3ccccc3nc21 1890314155 WAAPIRTYCSWFEI-UHFFFAOYSA-N 435.528 1.713 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OC)cc3[N+](=O)[O-])CC2)CC1 1891074123 ABXBRFLQVGIUKL-UHFFFAOYSA-N 444.532 1.866 30 10 IDEE COc1cccc2sc(N3CC(C(=O)N(C)C4CN(c5nccnc5C#N)C4)C3)nc12 1891449149 DGUXJJYFSDKUJF-UHFFFAOYSA-N 435.513 1.750 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCN 2130086256 DKKNXDLIKJEZMX-ZDUSSCGKSA-N 432.527 1.120 30 10 IDEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255602475 SVJKUSYERQOAMM-PWSUYJOCSA-N 430.236 1.238 30 10 IDEE CCc1nn(C)c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255627392 SDIVWHWKXOFKAX-ZDUSSCGKSA-N 436.362 1.925 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255839401 VKOLKPNDQKISPX-YEJXKQKISA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255844234 SUZDGZCSOOWWDM-CTYIDZIISA-N 432.330 1.809 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2)OC1(C)C 2255932134 XDLJPWVCLHECTF-LJQANCHMSA-N 443.378 1.934 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256019328 ZBAZHFXSFQRRPJ-AWEZNQCLSA-N 436.314 1.307 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2256624595 NXOYCRZTCWUZDW-MRXNPFEDSA-N 432.326 1.761 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267113039 OSXBSXLTVNUUCJ-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 2267145548 FAFAXAOAYGDHCS-FOLVSLTJSA-N 446.357 1.797 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC2(C1)C[C@@H]2NC(=O)OC(C)(C)C 2267495487 MSAQVVASQMSMOM-NXNIQBKKSA-N 446.357 1.895 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267519172 GLKPVLGLVJCRNY-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE CO[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267878858 CGPFMXZQPCPVDG-UONOGXRCSA-N 448.329 1.140 30 10 IDEE C#CCOCCCCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2370336519 INOQBQUBBJUXGC-GOSISDBHSA-N 440.518 1.194 30 10 IDEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NCCc2c[nH]cn2)n1 14156572 ZWJPLOKAGOKNDJ-UHFFFAOYSA-N 445.597 1.014 30 10 IDEE CCOc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443872 TZNJSRDWSZHFEX-JKSUJKDBSA-N 436.472 1.094 30 10 IDEE CCOC(=O)[C@@]1(C)C(=NNc2ccc(S(N)(=O)=O)cc2)C(=O)C(=O)N1c1ccccc1 254845002 IROMPQCBXOJPLO-HXUWFJFHSA-N 444.469 1.040 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 436171727 MMXGSWSDOPGZQK-UHFFFAOYSA-N 432.487 1.190 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)nc1 474358934 ULHOJTDMERGNTE-SFHVURJKSA-N 438.553 1.354 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 474521004 YMMLDDKMKWGXJH-HNNXBMFYSA-N 430.484 1.875 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488265328 QGRLOLDOQJPABU-WOJBJXKFSA-N 436.516 1.793 30 10 IDEE C[C@]12CC/C(=N\OCC(=O)O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 504679464 WXAWNCDYPXVODT-DRTHUJTGSA-N 435.517 1.670 30 10 IDEE N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(C3CC3)n2Cc2ccco2)cc1 506959892 AXGODLFYOUOSQR-UHFFFAOYSA-N 425.470 1.759 30 10 IDEE CN(C)CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 516548737 JLFSQZSPVJZLJX-UHFFFAOYSA-N 442.541 1.645 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 522673297 DQMLUWJHQIGLJZ-UHFFFAOYSA-N 445.500 1.937 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(Cc2ccccc2)c1=O 530315822 NCUAFZYOTZFXBK-GOSISDBHSA-N 448.548 1.673 30 10 IDEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546926969 RLQNNIJAXPWZRV-HNNXBMFYSA-N 428.518 1.454 30 10 IDEE CC(C)CN(C(=O)CN1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CCS(=O)(=O)C1 603603790 WQQXMHQPAVZXCM-KRWDZBQOSA-N 436.553 1.491 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H]2CCCO2)C1 619853345 GZVJTYGFFYIZKT-KUHUBIRLSA-N 433.513 1.859 30 10 IDEE CSc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1 623010573 AFWVIFCATZFTOB-UHFFFAOYSA-N 441.578 1.592 30 10 IDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 670197722 UZDJFHGTBJXKET-PKOBYXMFSA-N 431.585 1.371 30 10 IDEE O=C1CCc2cccc(C(=O)NCC#CCNC(=O)c3cccc4c3CC(=O)CC4)c2C1 685822104 FESOQKWBYAFPTG-UHFFFAOYSA-N 428.488 1.965 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 732152629 FGFBYUABXCKUOH-NXHAUGRDSA-N 429.452 1.712 30 10 IDEE N#C[C@@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NCc1ccccc1 732495137 RDWBDZMBTJPBFN-PZJWPPBQSA-N 430.464 1.487 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)c3ccc(F)cc3)C2=O)cc1 733853039 CMTDIHDEAUVNOU-INIZCTEOSA-N 430.417 1.407 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@](O)(C(F)(F)F)C1 741285394 JEPNUVPIMPQSTI-QGZVFWFLSA-N 433.452 1.811 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 748063986 HNXYUMCXGQGSCJ-UHFFFAOYSA-N 448.504 1.276 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 748740938 GBNNFBPAIPHECT-DQRAZIAOSA-N 428.464 1.346 30 10 IDEE C#CCN1CCN(C(=O)CN[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 755181116 HXAQIHKZOIVDTH-DENIHFKCSA-N 434.943 1.897 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc3c(c2)OCO3)C1 760323813 QYWZNFCUUDPJBQ-XJKSGUPXSA-N 447.517 1.287 30 10 IDEE COC(=O)c1cccc(N2CC(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)c1 760551029 KENCYVBXWVZIBP-UHFFFAOYSA-N 434.456 1.288 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)CC1 772045758 IGLJGBGOJFKRLV-MRXNPFEDSA-N 426.583 1.175 30 10 IDEE C=CC[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 775563009 BPMYVJSVPDBJMJ-CYBMUJFWSA-N 447.351 1.384 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 793211862 GNTONGIYRDWTLA-UHFFFAOYSA-N 445.950 1.490 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCc3c(C)nn(CCS(C)(=O)=O)c3C)cc2C1=O 797852634 ZLRDDBCTQUWQDF-UHFFFAOYSA-N 445.497 1.684 30 10 IDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 798829113 JBGPKAWWSRYRJY-SFHVURJKSA-N 427.482 1.985 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2ccc(C)c(C#N)c2)c(N)n(Cc2ccccc2)c1=O 799547283 NJRKNRKKMQXOQG-UHFFFAOYSA-N 446.463 1.880 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccccc1 802328578 UFYIOYFPNYKSJJ-VQIMIIECSA-N 443.577 1.308 30 10 IDEE CCOc1c(OC)cc(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1OC 803723804 NTFBJXPFARFMJX-UHFFFAOYSA-N 427.457 1.915 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c(O)cnc2c(Br)cccc12 810381945 BQZYOKSKRIAXCJ-VLGSPTGOSA-N 431.246 1.959 30 10 IDEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)c1 813562643 AIZZGFCHMMIWOV-YOEHRIQHSA-N 433.578 1.383 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N=[S@](C)(=O)c2ccccc2Br)C1=O 1134024939 ZJBFMWNOEGJSQD-RUZDIDTESA-N 428.264 1.409 30 10 IDEE COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1C 1136149299 FMUWHUWFQRLHCW-UHFFFAOYSA-N 427.482 1.800 30 10 IDEE N#Cc1c(CCCNC(=O)[C@]2(c3ccccc3)CNC(=O)C2)nn(-c2ccccc2)c1N 1136183060 PHYLGNFQQUZALN-DEOSSOPVSA-N 428.496 1.833 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 1136633009 WTGLQTFWMLTEIS-IBGZPJMESA-N 446.592 1.697 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1)c1cc[nH]n1 1147802544 MWFWWFMAXAMBMO-MRXNPFEDSA-N 427.461 1.115 30 10 IDEE C#CCCN(CCOC)C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1148757909 KWQZEJUVMOWXCG-UHFFFAOYSA-N 432.546 1.567 30 10 IDEE C#CCN1CCC(NC(=O)CNC(=O)c2ccccc2I)CC1 1155872689 COUISIPSYRARLK-UHFFFAOYSA-N 425.270 1.235 30 10 IDEE C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159491402 XICPWQZPAJWQBC-SECBINFHSA-N 437.225 1.573 30 10 IDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)C(=O)OC 1161365680 WPHHWSVLGKMPHB-QGZVFWFLSA-N 432.523 1.790 30 10 IDEE Nc1nc(N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)nc(C(F)(F)C(F)(F)F)n1 1163295285 ZPTSFCVBHXVHKV-RQJHMYQMSA-N 434.291 1.955 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)c1 1170073195 SMEKNBJGLOFEHX-IBGZPJMESA-N 430.530 1.177 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC3(CCOCC3)CO2)s1 1176390519 SAGLLZSAPJKVIA-HNNXBMFYSA-N 428.576 1.847 30 10 IDEE COc1c(F)cc(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1S(N)(=O)=O 1179404866 JNTSENXDLPCPMY-KRWDZBQOSA-N 433.461 1.496 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC(C)C 1286295382 IQOPFBADNOXDFU-SQGPQFPESA-N 441.598 1.256 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CC(=O)N1CCOCC1 1286303943 FEKJDZHHKVXVOD-INIZCTEOSA-N 429.546 1.896 30 10 IDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286325656 XYTREXLZJQOSHP-IBGZPJMESA-N 442.564 1.594 30 10 IDEE C#CCN(c1nnc(C)n1CCCc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1286385351 WTRHAPUMKQBFAT-SFHVURJKSA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286398523 YDPMEJWFODICLX-WMZOPIPTSA-N 443.529 1.390 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286782894 CJMNYHXYNKXVGH-NVXWUHKLSA-N 443.460 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1286820981 WWISKDBJIYPDEI-ZWKOTPCHSA-N 449.581 1.433 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286821346 HZFZORVPJJCESW-QGZVFWFLSA-N 436.582 1.779 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C1CC1)N(C)C 1300535765 NEXNOGOJHVKNKE-NRFANRHFSA-N 432.576 1.865 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1300556894 OPTTWYFGDLDXKB-CABCVRRESA-N 425.505 1.787 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1300671800 PTNBPKKQRLLGMD-QGZVFWFLSA-N 449.552 1.709 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)C)CC1 1300725996 LTBMDSOCDRGRNW-SFHVURJKSA-N 435.594 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cscn1 1301484354 FYZVXDQRZYKJLQ-UHFFFAOYSA-N 446.558 1.744 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CCC)C1 1301556016 FAXZORVZSQEANY-TVFCKZIOSA-N 439.582 1.753 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(C)noc1C 1301568158 PNYINGQNRRPKNB-UHFFFAOYSA-N 436.538 1.356 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc2c1OCCCO2 1301951646 CRBFANLOHBBEAD-GJZGRUSLSA-N 448.549 1.694 30 10 IDEE C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 1302596505 GXVVYIJGYITERD-HNNXBMFYSA-N 434.539 1.796 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1302707283 OCWJIOLZEJNVFY-HNNXBMFYSA-N 439.497 1.714 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1309447777 LWWZBZNSCAXGPT-WTGUMLROSA-N 438.546 1.923 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C#N)o2)CC1 1315744527 QBQSAKMOEQHSHW-UHFFFAOYSA-N 441.879 1.801 30 10 IDEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1315808057 MQFHLILAJKRSDG-QGZVFWFLSA-N 429.500 1.599 30 10 IDEE CSc1nc(O)c(C(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc1C#N 1319358908 ACYKPRKZIQMUSW-UHFFFAOYSA-N 431.562 1.835 30 10 IDEE C[C@@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1352278088 VSGMVUBSCJCZJH-NSHDSACASA-N 426.882 1.054 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1358890448 PONIRGAPMWLOFF-HKUYNNGSSA-N 442.589 1.950 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H](C(F)F)N1CCOCC1 1358900865 UMEYRIHOBGAIEA-FJIDUMEYSA-N 441.523 1.816 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358960982 PNCSFGFSENGWOH-BZSNNMDCSA-N 431.562 1.583 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358967521 MAVLOYAIPPIUMD-CYBMUJFWSA-N 428.465 1.081 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1358978242 HGKIODBIQBVUCT-QGZVFWFLSA-N 435.619 1.080 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)CC 1358984451 VSCHMUHKKYUYRG-UHFFFAOYSA-N 440.935 1.803 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCNS(C)(=O)=O)CC1 1359033852 TYLBQJVWMHJZHY-UHFFFAOYSA-N 436.969 1.293 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C 1359070278 JNYPWJNRUNYXBY-PWIZWCRZSA-N 439.582 1.010 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1359334236 XVHXMGNBKRZXMR-KRWDZBQOSA-N 447.561 1.193 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCS(=O)(=O)c2ccccc2)s1 1442190171 VTKAOTCSDHTDMY-UHFFFAOYSA-N 428.557 1.345 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1446135067 BIFJVEPINPHERO-CYBMUJFWSA-N 428.449 1.136 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)s1 1446975263 YQJXYPQWRZYEPU-UHFFFAOYSA-N 433.515 1.278 30 10 IDEE CC(C)NC(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1463711447 GRUKETZDWRFFEP-FRIYVGAWSA-N 447.580 1.442 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)[C@@H]2C1 1471264456 LPDOAPNXDMNQLD-ROUUACIJSA-N 426.521 1.898 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1472176134 MWIXACREDCAHPY-UHFFFAOYSA-N 443.481 1.618 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](CNS(C)(=O)=O)C2)n(-c2ccccc2)c1C 1473776129 ARBABAYGDSWJHT-QGZVFWFLSA-N 429.546 1.775 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(OC(F)F)ccc2Br)CC1 1474682342 WNSWFORACIYERT-UHFFFAOYSA-N 438.294 1.636 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1479047757 IJXCJPGTKXHHPJ-FCHUYYIVSA-N 434.544 1.932 30 10 IDEE CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499723240 VNRSNJQROSTIAN-MAUKXSAKSA-N 427.509 1.289 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507521599 OJODVXIKEXRMLN-NVXWUHKLSA-N 447.561 1.844 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)c1 1507547499 LSTYSUQZXVNHRV-UHFFFAOYSA-N 438.532 1.491 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1507634245 XYZOGYRIAPVKOO-AQNXPRMDSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1507652754 ISBIJHBTRIAJDY-GOSISDBHSA-N 441.486 1.949 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(C(N)=O)CCCC2)CC1 1507724133 IAALCZPIMAHBPW-UHFFFAOYSA-N 436.560 1.678 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC)C(=O)C1 1507843621 PBJYTIMVRWRXDV-UHFFFAOYSA-N 430.509 1.657 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508077707 QJMDDVGNXGJEGD-LJQANCHMSA-N 433.516 1.710 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508118463 RFRGCKUPFYPARY-IRXDYDNUSA-N 427.509 1.011 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC2(CC1)COC(=O)N2 1508133788 LZVGBPJBUIRUMZ-UHFFFAOYSA-N 435.506 1.526 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508956938 AENWWPGNEJXOBQ-DPPKGPFUSA-N 427.553 1.993 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNC(C)=O 1513025498 GOXQERGNTXZVJX-CVEARBPZSA-N 425.541 1.695 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1514151559 OLIXBROSGAKGLR-XOMICKMZSA-N 437.504 1.790 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1516838436 YFJZMBSJVFZRRJ-IBGZPJMESA-N 431.497 1.588 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CCOCC2)CC1 1517589896 HSJQVFRUDSVDBT-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CCO1 1518940893 HWSNDJTZZCMUHE-HXUWFJFHSA-N 426.521 1.676 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1519529103 FEXHYZKZWPLYSH-KRWDZBQOSA-N 442.904 1.497 30 10 IDEE N#C[C@@]12CN(C(=O)c3nc(Br)ccc3Br)C[C@H]1CS(=O)(=O)C2 1536179258 FDJOMBKTPUHZGY-SDBXPKJASA-N 449.124 1.617 30 10 IDEE COC(=O)c1ncc(C(F)(F)F)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1536195052 WWZORFQUQRHHMX-UHFFFAOYSA-N 442.375 1.564 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](CC#N)C(F)(F)F)o1 1538122846 JPYAKXIDPFQFDJ-PWSUYJOCSA-N 437.396 1.570 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1539216828 XOKBKHHGDLMWMD-HNNXBMFYSA-N 430.559 1.967 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](OCCOCC)C1 1539606572 IYBQDWCHHYJRHC-HNNXBMFYSA-N 442.358 1.941 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1)C1CC1 1540108669 LDAOOJIPJPYQFL-MRXNPFEDSA-N 445.545 1.247 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccccc2CO)CC1 1540869815 XNAGKZQLNSTOSE-LJQANCHMSA-N 438.532 1.408 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC(=O)N1C 1545061599 UKGOBXRYAKBFKG-YOEHRIQHSA-N 446.458 1.820 30 10 IDEE C=C(C)C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OCC 1558130258 DCUYVDZQKRWKPA-LJQANCHMSA-N 437.562 1.315 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)C2)C1 1583479414 XVRYCNSXSAHQKG-QKBUSNMPSA-N 426.517 1.986 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1587059516 ZRQMQZJZBUXVKI-QFIPXVFZSA-N 428.577 1.944 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1593625459 ZCQZWMSYPHIVSL-HOTGVXAUSA-N 444.540 1.608 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1594667796 APWMPWYDZMJFOF-UHFFFAOYSA-N 445.612 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1595517301 WJLGGRFWMFLYPQ-SFHVURJKSA-N 430.516 1.921 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)O1 1611085241 HQDKQSNVTUFFGY-XLAORIBOSA-N 425.526 1.995 30 10 IDEE N#Cc1c(F)cc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cc1F 1617380435 AWBIIOJUUYYKDE-UHFFFAOYSA-N 441.481 1.912 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCC(=O)Nc2ccc(C#N)cc2)C1 1620471191 JCFKJSARJDQQFW-UHFFFAOYSA-N 427.505 1.698 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 1621678869 GJHWCAHLOFTZTP-AWEZNQCLSA-N 432.951 1.613 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1C(=O)OC 1627731068 HYYJQABXRVHFHQ-TXEJJXNPSA-N 425.235 1.120 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1634790126 RVQJFNXOAXWPTN-INIZCTEOSA-N 426.853 1.769 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1 1638213019 JEVYJPATPUAVQY-ZDUSSCGKSA-N 441.435 1.244 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(Cl)cc3)C2)C1=O 1639456405 NKPYEGHZHIYBMF-LSDHHAIUSA-N 433.848 1.032 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1640653549 YQBRINIJUMBHMS-FQEVSTJZSA-N 427.567 1.969 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C3CCOCC3)CC2)s1 1641172196 PUBLQNNFAZAYHR-UHFFFAOYSA-N 427.592 1.515 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(C#N)nc(C)c3C)CC2)cc1 1641314844 MXLHRBYFXXOFPU-UHFFFAOYSA-N 429.502 1.107 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC 1641567753 NSVIQXRMLZICTR-RDBSUJKOSA-N 432.901 1.976 30 10 IDEE C=C[C@@H](C)ONC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1644295974 LDOQUZWIKMKHMJ-BXUZGUMPSA-N 433.324 1.605 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1644467149 XLKGGQYYNWMLKT-IIAWOOMASA-N 428.938 1.642 30 10 IDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1645443955 PCARCQZFJMSWOA-GOSISDBHSA-N 431.470 1.774 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](c2cn(C)nn2)C1 1647868801 ROPUZUKDMIFRDS-RDJZCZTQSA-N 444.561 1.675 30 10 IDEE CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CCN(CC(F)(F)F)C1 1647879250 FVSAUXORMQIEEF-OAHLLOKOSA-N 432.468 1.896 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)C1=O 1653958097 BBFDYBAHBWVBMU-NYHFZMIOSA-N 448.520 1.507 30 10 IDEE C#CC1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 1667039119 AZXYCCKTJWNHPU-MRXNPFEDSA-N 425.532 1.029 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@@H](C(C)C)CC3)CC1 1675369149 ZZNOFUVWBRFUHA-AWEZNQCLSA-N 425.580 1.521 30 10 IDEE N#Cc1cn(CCNC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c(=O)nc1O 1677134837 BKLINYNLJQQOLD-QGZVFWFLSA-N 430.896 1.610 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1689969330 SDZLVOPSWXVEDQ-FQEVSTJZSA-N 432.619 1.911 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1690020114 YYASGGCRRFOALU-SFHVURJKSA-N 428.562 1.606 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1690034413 HHPDMAGIJFJNJD-QFIPXVFZSA-N 426.521 1.970 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1NC(=O)CC1(C)C 1690098711 SCEMVDVKBMWKHS-GOSISDBHSA-N 425.489 1.675 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1690110582 RPGYSUJBMAQTSF-XMMPIXPASA-N 449.559 1.381 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(O)cc2)CC1 1690142020 GLHWUDNJFAOPNO-UHFFFAOYSA-N 433.516 1.593 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnccc2OC)CC1 1690375890 WKVXIONVIAQFMN-GOSISDBHSA-N 448.549 1.219 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690722199 AUESOQIVPQYDJN-MJGOQNOKSA-N 448.593 1.421 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1692663991 VSKRVUDGRGCOSO-MRXNPFEDSA-N 439.520 1.778 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CC(=O)N(C)CC)CCOC1 1696020302 CDIILHLDANCCPL-QFIPXVFZSA-N 426.521 1.917 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1696616991 GHOJXOBVYPMZEF-FQEVSTJZSA-N 437.548 1.958 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705572151 SGANEDPOQOFWTM-KGLIPLIRSA-N 438.472 1.409 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1705582392 AEDGRKKWKKKEIZ-FQEVSTJZSA-N 431.452 1.773 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCOCC1 1705603183 KOFBBEZPVWYTSW-ACRUOGEOSA-N 429.565 1.433 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cccs2)CC1 1705632000 UPHDWIHUVMSGIP-OAQYLSRUSA-N 428.562 1.239 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCC(F)F)CC1 1705642705 FFXULCGUSBXCNC-UHFFFAOYSA-N 432.475 1.302 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(C)COCCO2)CC1 1705643224 XJYJPGICMTTXIN-DEOSSOPVSA-N 439.560 1.980 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1705695242 AXGXVNJWPWSKFS-FPCVCCKLSA-N 429.612 1.811 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705741368 NTCQBULFMKZWFK-MDPIYQRISA-N 436.553 1.979 30 10 IDEE CC(=O)NCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC#N 1706058011 RSGSTSBJYGKHKI-CQSZACIVSA-N 446.581 1.811 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1c(O)nc2ccccc21 1706602867 AVBLFTDHHHYCPL-FQEVSTJZSA-N 426.456 1.614 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1709902355 LREBYSCZLMNFSG-HSZRJFAPSA-N 437.548 1.596 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)c1 1711331958 VPPYFAFQFOCHCF-VFNWGFHPSA-N 430.484 1.852 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC[C@@H]1C 1712070883 HPXPMULLTSSRLC-LPHOPBHVSA-N 447.561 1.739 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1712531060 QFEARUXCKONWMB-LVCYWYKZSA-N 438.548 1.801 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1722382988 LSKSNMFKWLAGDV-SFHVURJKSA-N 442.541 1.709 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](CC(N)=O)C1 1722701786 DORFKOCOYLCVHJ-KRWDZBQOSA-N 435.532 1.675 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncn(-c3ccccc3)n2)C1 1722709520 RSCBVHOIZQKFCQ-SFHVURJKSA-N 436.520 1.827 30 10 IDEE CN(C)CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1729339509 WXQUGGBZULJFJS-WOJBJXKFSA-N 440.548 1.890 30 10 IDEE COC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1729795796 KNRBECTXQKPPKU-ZPHPHTNESA-N 443.508 1.351 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@H](C)O1 1730594771 UHJOZPBODIDOJG-XLIONFOSSA-N 428.537 1.635 30 10 IDEE CON(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1730972548 UUXLNQJWKLTTAI-FMQUCBEESA-N 426.477 1.998 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1740551215 KRUJZQDFHXTHNN-CVEARBPZSA-N 439.582 1.895 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CC)C2)c1 1740562097 GKBUNCWODNAPRT-UYAOXDASSA-N 449.559 1.627 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740581157 QPDCENYKZUZKBK-LJQANCHMSA-N 437.548 1.887 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740627508 QWOQURGRGUSIFZ-MJGOQNOKSA-N 432.521 1.986 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1740671409 GPBAYWNWVLOSEI-SFHVURJKSA-N 429.546 1.872 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740874238 PXRAOTGIIZBTTB-JKSUJKDBSA-N 434.541 1.925 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949671 OKVYPCWZTJKYHD-HSZRJFAPSA-N 446.596 1.639 30 10 IDEE C=CCn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949672 OKVYPCWZTJKYHD-QHCPKHFHSA-N 446.596 1.639 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1740975687 DNYKZXOMVGJYJS-RTBURBONSA-N 427.553 1.873 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccc(C)cc2)C1 1740980039 NEVMFXHUPZQGCZ-RTBURBONSA-N 438.532 1.749 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1741922196 OMQHYMQCFIZLLA-VLIAUNLRSA-N 449.581 1.029 30 10 IDEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCSCCCO)C2 1742016932 DRDYBDBTXSAYIO-OAQYLSRUSA-N 442.545 1.963 30 10 IDEE Cc1ccoc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1742067593 AHCPFDXBNSIPES-UHFFFAOYSA-N 434.504 1.959 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1743362991 KZEMOLMSAVQWMZ-QAPCUYQASA-N 427.465 1.303 30 10 IDEE CCOCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1747008645 AJNKKRVGBDYXOM-MAUKXSAKSA-N 448.549 1.202 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(C)(=O)=O 1748957208 YNCUDXGRDILFHG-UHFFFAOYSA-N 429.905 1.373 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1748987005 ORAXSGMLRRBUAH-HKBQPEDESA-N 437.573 1.361 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1749119870 XTSUBUABSDOWDK-KSZLIROESA-N 440.614 1.400 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1749590854 HARKPZCXACPWAM-INIZCTEOSA-N 435.550 1.487 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([S@@](C)=O)CC2)C1 1749718255 UMLFISPXIQRKFL-INCQDFKNSA-N 449.602 1.962 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1749761186 WYQLRJWEBWVJRH-QZTJIDSGSA-N 434.610 1.477 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760095782 YSJBOOMDIZXSKP-HOTGVXAUSA-N 425.541 1.375 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1760116912 LCJOJQMYJOBKCQ-GEYWLOKFSA-N 449.552 1.584 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1760185267 UCYDRMQQEQUNOS-QGZVFWFLSA-N 431.562 1.727 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760188503 AZBMZQXCGTYAOC-MRXNPFEDSA-N 443.558 1.099 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1760190216 YTOKSSBCSXAUNV-ZNMIVQPWSA-N 448.574 1.116 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CC1 1760212691 BEGRZSMIAGHXGF-UHFFFAOYSA-N 427.486 1.893 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN2CCSCC2)CC1 1760270218 UTMMBMYJKZHMSZ-UHFFFAOYSA-N 430.622 1.950 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@H]2CCC[C@H]12 1760282167 XCAHTLCCPLYNOR-JYJNAYRXSA-N 439.607 1.212 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2CCOC[C@@H]2C1 1760317001 ZQJYFXJRCNZUIO-YRPNKDGESA-N 435.569 1.504 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760352633 UKZDMINJJKRZPP-DLBZAZTESA-N 430.509 1.758 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760356046 DWTCGKCWTDYGMW-ZIAGYGMSSA-N 444.458 1.327 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](CC)C1 1760521572 XJXBASWZTPCOJW-LSDHHAIUSA-N 437.504 1.900 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)nc2OC)C1 1760534374 XEYUPKSGJYZGIG-INIZCTEOSA-N 430.509 1.658 30 10 IDEE CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1C 1765393341 AQFFWMWWDSYXCO-SJORKVTESA-N 425.537 1.736 30 10 IDEE CCC[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1766347354 FGVUFHVMBAXJHN-BSXFFOKHSA-N 426.518 1.414 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1768495348 CSCISQBPBQWLAE-FOIQADDNSA-N 448.524 1.677 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1768888275 DDFFZDVFPSUWGJ-HNNXBMFYSA-N 433.534 1.896 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1770326485 YZYPWDIXDQSRJK-IEBWSBKVSA-N 445.545 1.779 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cc1 1770738926 STLFLEDQLVQLAL-WIYYLYMNSA-N 426.452 1.976 30 10 IDEE C[C@H]1COCCN1C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc(F)cc1F 1851173788 ZFRPBIDMZNOIOB-LIRRHRJNSA-N 449.479 1.973 30 10 IDEE CC(C)[C@H](C(=O)N=C1C[C@@H](C)N(c2ccc(Cl)cn2)N1)N1CCS(=O)(=O)CC1 1851738896 BHRAMWRNRUIPLW-CXAGYDPISA-N 427.958 1.518 30 10 IDEE COc1cc(OC)nc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1852032974 ACFQQWXZAAEULL-KRWDZBQOSA-N 428.445 1.302 30 10 IDEE CC(C)(CN1CC[C@@H](N2CCNC(=O)C2)C1)C(=O)Nc1sc2c(c1C#N)CCCC2 1852498258 AUNBDYJQMUXELF-OAHLLOKOSA-N 429.590 1.969 30 10 IDEE C=C(C)CN(CC)C(=O)CN1CC2(CCN(S(C)(=O)=O)CC2)C[C@H]1c1nc(C)no1 1857521620 CHGBJDJHPUTRHX-KRWDZBQOSA-N 439.582 1.591 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4ccccc4C#N)C3)ccc21 1858413994 NSLYQAXKOZKKNJ-CQSZACIVSA-N 426.454 1.652 30 10 IDEE CC(=O)NCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccc(NC(C)=O)cc2)C1=O 1863192780 DKIJUSLAOFLLTI-UHFFFAOYSA-N 431.452 1.845 30 10 IDEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(C(=O)OCC)CC1)n2CCCOC 1875221502 SDVJAOYEQMTAFI-UHFFFAOYSA-N 430.509 1.980 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(=O)n3ccccc3nc21 1875234981 GKNYEDIMPVVAKN-UHFFFAOYSA-N 437.481 1.413 30 10 IDEE C=CC1(N[C@@]2(C(=O)O)COC[C@@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1904334323 FDGKZJZNQMALGE-RBZFPXEDSA-N 427.498 1.498 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC(O)(CCNC(=O)OC(C)(C)C)CC1 2006228236 MPFLUXBUWPXCAC-UHFFFAOYSA-N 427.361 1.967 30 10 IDEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2CO)c(Br)c1=O 2172903828 KBVDKNLEVWZAAN-OCCSQVGLSA-N 441.326 1.669 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO 2216871318 QAJOCIITBSJQFI-MUQADHOPSA-N 437.537 1.495 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248402793 AWKWMVVSMWGRPR-TXEJJXNPSA-N 438.359 1.843 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248442071 PKAVYYHSHBIDOG-LBPRGKRZSA-N 436.343 1.504 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2255597967 UIDPLDFPVMMNEY-GJZGRUSLSA-N 432.330 1.552 30 10 IDEE CN1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)[C@H](CNC(=O)C(F)(F)F)C1 2255798321 SJPCXGINZJWQDW-CYBMUJFWSA-N 433.280 1.824 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255819162 XADRKRNITCMOER-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256066478 CKWXWRCCAWHZMM-KBPBESRZSA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2259925496 DVFZMIBQEBPSSD-YEJXKQKISA-N 432.330 1.696 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2267268921 AXULMINHCCMQNN-STQMWFEESA-N 449.361 1.536 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267479032 GUBJKZSBODHSMX-DLBZAZTESA-N 447.341 1.745 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)n1 2267493263 HDWSCFJCBZEEFO-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 2267606507 YQHQZRFCSOSOLB-UHFFFAOYSA-N 449.361 1.682 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2334270031 WKUNVXWFVATQPL-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE NC(=S)N/N=C1/C(=O)N(CC(=O)Nc2ccccc2)c2ccc(Br)cc21 1506938 PHHMAVVYBYEBGC-RCCKNPSSSA-N 432.303 1.972 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(F)cc2)[C@H](C#N)C(=O)N3)CC1 72444711 AMCMJJPBDQBIKZ-HOTGVXAUSA-N 439.447 1.912 30 10 IDEE COc1cc(CN(C)C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc(OC)c1 460623068 YKVKGFCQYASWOC-UHFFFAOYSA-N 434.456 2.062 30 10 IDEE C[C@@]1(C2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CC2)NC(=O)NC1=O 461149354 ILNPGEXBYRBUPF-MBSDFSHPSA-N 449.515 1.810 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2ccc(OC)cc2OC)cc1 474700294 CDKXLXZVTCMNEL-IBGZPJMESA-N 448.497 1.812 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCO1 479388304 BLLLNNKDEFQKAB-ZBFHGGJFSA-N 427.526 1.611 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 480176772 ALCMUQJSZBUAOT-QGZVFWFLSA-N 432.505 1.626 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 502814561 RXCIJALQKQLRDU-GOSISDBHSA-N 429.926 1.996 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 507730557 FSXBIYHXJKTIAV-XLLHFJCQSA-N 435.613 1.465 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C(C)C)nc1 508911983 JLBZANUPPLSAPO-MRXNPFEDSA-N 435.554 1.347 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 514896551 JNYAVTHUPXMZHD-UHFFFAOYSA-N 443.529 1.507 30 10 IDEE N#Cc1ccccc1-c1ccc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 540309786 VIOMWJRADLMLRH-UHFFFAOYSA-N 447.539 1.911 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)NCc1ccc(C#N)cc1F 586808902 GXSJCVOVYAEVGF-UHFFFAOYSA-N 446.504 1.707 30 10 IDEE C[C@H](O)C[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)[C@@H](C)[C@@H]3[C@]2(C(=O)CO)O1 605697192 NIMUEYMAOQKMLR-RMPXGIGCSA-N 446.540 1.544 30 10 IDEE in-vitro Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)ccc1F 729671079 GLXBQFHTUCASOX-UHFFFAOYSA-N 448.541 1.274 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CC(=O)NC2CCCC2)C1=O 730142857 PTBMYGDCGLFUTM-SFHVURJKSA-N 445.589 1.745 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 732467539 ZBALNZLRRASYRA-HNENSFHCSA-N 435.887 1.833 30 10 IDEE N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CCN1C1CC1 732650015 XJYINDQUTWYNHM-QGZVFWFLSA-N 438.500 1.564 30 10 IDEE N#C[C@H]1CN(Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)CCN1C1CC1 732665920 ANCJEIKJZSURIU-AWEZNQCLSA-N 431.488 1.443 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(Oc2ccncc2)C1 732760643 GLBMCDJVQBVRIT-GOSISDBHSA-N 428.514 1.825 30 10 IDEE C[C@@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 752177571 BTKYCOYYYNKPQN-CQSZACIVSA-N 435.527 1.558 30 10 IDEE C[C@H](NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 753966091 GUUXMKROIMTLNU-JNVIVKIQSA-N 428.489 1.529 30 10 IDEE C#CCN1CCN(C(=O)CN[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 755181127 HXAQIHKZOIVDTH-SIKLNZKXSA-N 434.943 1.897 30 10 IDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc21 761161072 RCXFSKYVTIEUOS-INIZCTEOSA-N 439.520 1.155 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 761630403 PDSDRLFGZPUJDS-JRCVOMKHSA-N 436.538 1.425 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)cn1 784125201 NMXOFPKASPBTTJ-DOTOQJQBSA-N 436.582 1.329 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)n1 788815716 SVEWGNXCVPPKIE-UHFFFAOYSA-N 435.532 1.943 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)n1 790330024 QTBGIUXOAGWQHM-UHFFFAOYSA-N 444.557 1.301 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 797032563 PPMBPDDWNLAROZ-SFHVURJKSA-N 447.538 1.833 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1CCOc1ccc(F)cc1 800383169 OHSHDKOXXGRLME-UHFFFAOYSA-N 443.460 1.936 30 10 IDEE Cc1ccc(CN2CCN(Cc3nnc(N4CCN(C5CC5)[C@@H](C#N)C4)n3C)CC2)cc1 800769156 WMBPVFYNJHVIJQ-QFIPXVFZSA-N 434.592 1.618 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 809886218 BXXCIWAOARUUHB-MRXNPFEDSA-N 446.552 1.879 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 812178677 CXBBIRDQAZZJPS-JKSUJKDBSA-N 448.524 1.803 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 918817720 SDTNCIAOHVJMHF-ZDUSSCGKSA-N 433.408 1.181 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 1131363004 LJFDWWGEUYKCCF-CXAGYDPISA-N 439.415 1.776 30 10 IDEE COC(=O)[C@@H](Cn1ccnc1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1161212552 XHIXGRSTHOMPGR-OAHLLOKOSA-N 432.278 1.311 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccc(C#N)cc2)C1=O 1171510276 FQMWNMAGPFYUQG-SFHVURJKSA-N 443.485 1.482 30 10 IDEE C=CC[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)C(=O)OCC 1189089784 XAPBSELHNZBWMR-BZSNNMDCSA-N 440.518 1.450 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1246616587 XDMOTSZNYATGNE-UHFFFAOYSA-N 437.541 1.779 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nc(S(C)(=O)=O)ccc2Cl)[C@@H](C#N)C1 1265833400 DLKBXTWVACBESP-NSHDSACASA-N 428.898 1.724 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)NC(C)C 1286283454 VDZXCZSIERBFBA-OAHLLOKOSA-N 435.550 1.748 30 10 IDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286322469 BPYOOQWAIINFNU-KRWDZBQOSA-N 433.520 1.984 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286387645 HMMFMNITKBQWJF-QGZVFWFLSA-N 438.538 1.948 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286395155 ZCZBAHYMODMJCO-AZUAARDMSA-N 442.589 1.375 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1286485551 PRSTVVLTKJWBTE-TUFLPTIASA-N 429.565 1.739 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCN(CC)CC1 1286522335 IYGYZFQRKBXRRF-XQBPLPMBSA-N 448.637 1.198 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCSC1)C1CC1 1286732326 PWDZQZWXAOTOAM-KDOFPFPSSA-N 428.628 1.480 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COc3ccccc32)C1 1286799784 AFKITRULIINXHZ-GVDBMIGSSA-N 447.561 1.846 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCCC2)C1 1286811583 FSUFUXDMXFBNFU-IBGZPJMESA-N 444.580 1.975 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCOC1 1296534956 BVCZUEMJNBLQPU-NRFANRHFSA-N 447.561 1.873 30 10 IDEE C=CCC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 1298021425 SCIKZMTUIRNJBQ-CQSZACIVSA-N 433.324 1.742 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccccc1 1298950635 GIGKCKULOLRFKH-RTBURBONSA-N 427.482 1.252 30 10 IDEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1300189473 SMFKZUUVPSVUQX-QRVBRYPASA-N 439.516 1.379 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(OCCOC)CCOCC1 1300432923 RTANHYBEGATMIN-UHFFFAOYSA-N 428.493 1.207 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1300493495 VOXRVVCBTIHAQW-PXNSSMCTSA-N 437.635 1.610 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300497969 FMASCISTKUMWFR-HXUWFJFHSA-N 438.557 1.586 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1300531904 JBCCWBUUOZGPSF-INIZCTEOSA-N 446.433 1.881 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2COc3ccccc32)CC1 1300683533 PGIFFYYEIQEQOI-OALUTQOASA-N 425.533 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CC(F)(F)CO2)CC1 1300719600 HYOPCTMLFPPUTE-MRXNPFEDSA-N 432.475 1.674 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1300761337 BCDQOEDXUVWKJN-ZWKOTPCHSA-N 443.529 1.108 30 10 IDEE COC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301023525 UEDPQEMKRJDMAS-RHSMWYFYSA-N 428.493 1.368 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1302483447 CDQYTGUTTVCPRR-UXHICEINSA-N 425.472 1.770 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CCO1 1303530560 FJOORMABHZWBFK-VQTJNVASSA-N 427.505 1.862 30 10 IDEE CCCCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1306663949 DRBLHGHQEVLOEV-ZPHPHTNESA-N 438.492 1.688 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1309573300 MDVCVRJINDWGBZ-QGZVFWFLSA-N 428.532 1.095 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccnc1C(=O)OC 1309855784 ZRCWAODVSZNGDL-UHFFFAOYSA-N 437.518 1.892 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1315531740 OSDWNEHLGPBHDL-LEWJYISDSA-N 428.468 1.786 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1315798049 HFKIPVFXGQNEID-QZTJIDSGSA-N 439.520 1.089 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1316538681 AEAZKLUTDLTLFO-QWHCGFSZSA-N 438.414 1.779 30 10 IDEE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1324631327 HCUYXVMLVVCXES-RHSMWYFYSA-N 434.452 1.841 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C(=O)N2CCOCC2)CC1 1339110169 ICYXMMPLPCYNJU-SFHVURJKSA-N 429.521 1.400 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1358982059 HYAGWULNNCQYKD-UHFFFAOYSA-N 427.472 1.246 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1359005107 WBTLVGIMKIMVPC-UHFFFAOYSA-N 427.505 1.704 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(C)COCCO2)CC1 1359032917 IPCVMSIZDIHBSV-QHCPKHFHSA-N 441.532 1.523 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CCCO2)CC1 1359038295 QOGZBQRBXDETEQ-OAQYLSRUSA-N 428.562 1.594 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCC2)CC1 1359040130 JJZARVYXGMDVRC-HDICACEKSA-N 444.580 1.719 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(C)no2)CC1 1359041392 VLBRVTJHLZSPLD-INIZCTEOSA-N 430.509 1.313 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1359094523 BZPJXXNRNZLGKI-SJLPKXTDSA-N 432.550 1.403 30 10 IDEE C=CCN(c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1359249673 LIDRKJWCVYCGJG-UHFFFAOYSA-N 435.579 1.269 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1359281093 OJXCRFQZTYJNGO-INIZCTEOSA-N 428.555 1.098 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359284424 NULSWBWQAUSVOY-NRFANRHFSA-N 431.562 1.836 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1359888613 GQVJLJHBBLCARC-IERDGZPVSA-N 427.509 1.841 30 10 IDEE Cc1nnsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1360952348 CVNLEYFOXJRCRM-CYBMUJFWSA-N 446.562 1.605 30 10 IDEE Cc1cc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(C)c1 1361010336 BEWWLHVYZQSJDM-MSOLQXFVSA-N 429.546 1.883 30 10 IDEE O=C(NCCS(=O)(=O)C(F)(F)F)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1453256568 XLEIPTHAKBEWOD-UHFFFAOYSA-N 433.277 1.496 30 10 IDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 1467699956 OGUKBNVJUQFOLC-NJYVYQBISA-N 432.952 1.929 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)N3CCN(c4cnccc4C#N)CC3)[C@H]2C1 1471263540 BJFIRDJINFUVKZ-NNZMDNLPSA-N 426.521 1.898 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 1471745236 AANBSDLAGRVNES-YJBOKZPZSA-N 442.497 1.709 30 10 IDEE C=CCCC[C@@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1471896027 YLPZCBDXVCSDDI-OAHLLOKOSA-N 446.566 1.815 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1 1474982332 YSPSBZVKDBEQFL-UHFFFAOYSA-N 432.523 1.218 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1475717505 TZRQUTLBWLCKMO-UHFFFAOYSA-N 449.392 1.571 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)n1 1479048956 TXPKEWNASCMOLD-QHCPKHFHSA-N 438.576 1.491 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1498474414 JIOYSJVFYSBANS-HOTGVXAUSA-N 431.541 1.637 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCN(C(C)=O)CC2)CCOC1 1502681306 GMKDCFMZVRSOEM-SFTDATJTSA-N 434.516 1.631 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1503641167 YRTOKGGYWTUDPJ-QGZVFWFLSA-N 433.534 1.636 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCC(C)C)CCO1 1503770119 CZGOLUQUEWATHC-CVDCTZTESA-N 440.548 1.955 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1503835679 GIBAJFWOYOOAIN-LJQANCHMSA-N 442.545 1.844 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1505318620 OMTMTHABKRJECE-CKEIUWERSA-N 432.422 1.835 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C2CC2)CCO1 1505321097 GOXPQWRRJLOHHK-INIZCTEOSA-N 432.431 1.801 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1507539264 TWSYCXCNNYABLL-XLIONFOSSA-N 443.573 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507544609 YVZJNHVAVWNEIB-LAUBAEHRSA-N 432.546 1.481 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1507634059 IPZGFSITQBZVIH-IBGZPJMESA-N 447.605 1.650 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nncn1CC 1507703318 UVIFEUKWYJAMOR-UHFFFAOYSA-N 436.520 1.893 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507804347 KLNSKIWOZVYULF-DENIHFKCSA-N 430.597 1.956 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1508111730 IEGGLPSLQFDGMF-IBGZPJMESA-N 442.545 1.634 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)C1 1508129970 GGWUFWDKMSTVJG-IBGZPJMESA-N 445.612 1.208 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1 1508145935 RCZNOIZSEYJQCB-UHFFFAOYSA-N 435.525 1.311 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@H]1OC 1519500427 FLLGEWMOQKRGGE-OYRHEFFESA-N 438.532 1.841 30 10 IDEE Cc1ccc(OCc2nc(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)cc1 1538539820 MYSAVQNTPDHKFW-YWZLYKJASA-N 431.539 1.970 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1539201634 BDNKJUJRMMVDGZ-KKSFZXQISA-N 433.578 1.213 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1539569092 ILKFOPTYZXNBMN-HTAPYJJXSA-N 440.479 1.977 30 10 IDEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N(C)CCNS(C)(=O)=O 1539606270 BUJDPTCFVJHHPJ-UHFFFAOYSA-N 442.383 1.957 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1540187582 REJVYNJSUSNFQO-SFHVURJKSA-N 429.521 1.989 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540874151 WXNRJQJPCYKZIQ-HSZRJFAPSA-N 440.548 1.337 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1540894148 RMFWAAHSENKELU-MOPGFXCFSA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1540901850 QZLUGBXITRAAIH-XHSDSOJGSA-N 439.582 1.470 30 10 IDEE C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CN1CCN(C)CC1 1542935612 GIDGSQHADOFSRV-VITVIVDCSA-N 433.597 1.773 30 10 IDEE N#Cc1cn(CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)c(=O)nc1O 1545702591 IFSQSRKPZWFEGX-UHFFFAOYSA-N 446.305 1.364 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1548317106 ZAWQOHWWABLJGM-HXUWFJFHSA-N 428.518 1.110 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1552910729 CPGKAPXMWPWPCL-QGZVFWFLSA-N 444.561 1.745 30 10 IDEE C#CC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)OC 1556970897 LKVQMJDSVFFCHA-UONOGXRCSA-N 426.256 1.880 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)C[C@H](O)CCO2 1558494649 BGMCZAMSVPYAEN-AEFFLSMTSA-N 449.573 1.816 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(N4CCCNC4=O)CC3)C2=O)cc1 1566621298 NRUCHGLKYONDKX-SFHVURJKSA-N 438.488 1.170 30 10 IDEE CN1CCC2(CC1)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCO2 1570656976 WZFAYKCULBDCBI-UHFFFAOYSA-N 446.573 1.282 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(S(C)(=O)=O)CCCCC1 1584701785 DJDGQXIDXHSXEM-AWEZNQCLSA-N 427.548 1.089 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1588024995 QYOZRBDISYMLKU-ROUUACIJSA-N 431.562 1.497 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC(C)CC2)CC1 1588733653 XPYXGXYXEAHFBO-UHFFFAOYSA-N 441.624 1.781 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1595297529 SCBSVDYUKXQTOP-JOCHJYFZSA-N 437.504 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCOC2)C1 1595490648 VUJVWPAEXGAPGR-SFHVURJKSA-N 435.326 1.955 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595577651 ZSDQRPNTPCYWSA-KRWDZBQOSA-N 426.521 1.443 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 1595659163 UGKRLCAOPUNVML-MRXNPFEDSA-N 431.518 1.077 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595784930 NZDIUPQADPYIGO-WMZOPIPTSA-N 434.566 1.031 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(CCC)CC1 1595798856 UQNOWSTZJXFNAO-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1596978300 MGBNYSWAXIYNFO-JCKWVBRZSA-N 449.558 1.146 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(C)CN(C)C1=O 1603683186 ODPMLQNHWFOVNO-KSFYIVLOSA-N 437.552 1.332 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)CN1CCOCC1 1614028475 FQASHBXTMXTPGO-QZTJIDSGSA-N 439.568 1.186 30 10 IDEE COc1cccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1619374004 AHXDIPYHLHFLSE-ZTFGCOKTSA-N 426.477 1.434 30 10 IDEE COCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1619648390 FMNYEMUXADNTEZ-JKSUJKDBSA-N 425.555 1.362 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CC1 1623057878 RQAJDBGGBVJFBK-UHFFFAOYSA-N 437.566 1.024 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)ccc2C2=NCCO2)C1=O 1626435456 ORFPBMUNXNPCKU-UHFFFAOYSA-N 435.234 1.141 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CC1 1628147110 WZOAAOVZJSUODL-GOSISDBHSA-N 436.597 1.942 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@]1(C(=O)OCC)CCc2ccccc21)c1cc[nH]n1 1628211804 GSIPIDJGSRNWIU-OAQYLSRUSA-N 428.445 1.215 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1F 1629556927 DCZWKJFFVWNGHD-OLZOCXBDSA-N 449.460 1.943 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1632042309 NXDPWNAEKRARMH-MRXNPFEDSA-N 441.550 1.483 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOCC1 1632880500 RCEPQNMURPDNDI-VUAZUDAXSA-N 436.509 1.339 30 10 IDEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OCC 1635697615 DFNSOVYBNZJOIP-INIZCTEOSA-N 426.539 1.143 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)CC1 1635993409 MQOSIDPDHVRYKA-SNAWJCMRSA-N 436.306 1.070 30 10 IDEE C=CCC1(O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1638655923 FIJQNKCWCZIIKI-INIZCTEOSA-N 434.514 1.553 30 10 IDEE CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636719 MMNGMFLPMFLXQB-QGZVFWFLSA-N 439.472 1.545 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ncc(C(=O)OC)s3)C2)cc1 1641320371 NCYIMUCWWRTGPZ-OAHLLOKOSA-N 447.538 1.861 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](CCCO)C3)nnc12 1641641361 MVIUCVOXIQHLAC-HNNXBMFYSA-N 427.530 1.943 30 10 IDEE C[C@@H](CC(=O)NCc1c(Br)cnn1C)/N=C1/NS(=O)(=O)c2ccccc21 1643508037 BOATYPRYXBRFJO-JTQLQIEISA-N 440.323 1.316 30 10 IDEE COCCOCCN(CCO)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1645441433 QQGOQQZSLHEJBK-UHFFFAOYSA-N 426.311 1.241 30 10 IDEE C#CCC1(O)CCN(CC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 1648148472 BGDFHFWWUZKMIR-UHFFFAOYSA-N 433.553 1.170 30 10 IDEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 1648366178 GIPACIWWYPDHMY-UHFFFAOYSA-N 435.590 1.539 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)C2)c(=O)nc1O 1648786881 BQQDKUVORSRJGC-UHFFFAOYSA-N 433.399 1.909 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c1 1653351922 AJRWMYMCVAJXSO-QFIPXVFZSA-N 445.523 1.739 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H](C)N1CCOCC1 1678488203 CUHACWSZZARDEF-QZTJIDSGSA-N 437.548 1.889 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)c(C#N)c2N)cc1 1683605051 KRKCCYSFYPBUFR-QGZVFWFLSA-N 437.504 1.850 30 10 IDEE N#CC1(CNC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)CCOCC1 1684718357 HYHJJCFXEMJQAG-UHFFFAOYSA-N 425.533 1.613 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)c1 1685328746 YOPVEVZLXYCUTM-UHFFFAOYSA-N 447.543 1.687 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1685330791 DXSJTYKVZTUWEC-UHFFFAOYSA-N 428.533 1.875 30 10 IDEE CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1687782653 RTIVRQXDLJWEAV-AWEZNQCLSA-N 433.534 1.981 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1689859111 WFQZCGLDXWHGKF-QGZVFWFLSA-N 425.533 1.812 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N(C)C 1690082976 VUFUDSJPDNFRMV-UHFFFAOYSA-N 437.592 1.581 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1ncn(C)n1 1690098405 HAODTWZVOHRJQA-UHFFFAOYSA-N 430.310 1.970 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1690214496 LYTXMVKQNZQWGZ-KSFYIVLOSA-N 440.479 1.977 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](C)N1CCCCC1 1690526711 CEYNEHAKOGFFLZ-QZTJIDSGSA-N 440.614 1.498 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCS(C)(=O)=O 1690560001 MYKIFYRRQCBFQN-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE C[C@@H](COCc1ccccc1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1692738605 FYHKVGOVQZNHEX-UYAOXDASSA-N 438.532 1.982 30 10 IDEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1696561691 KFMPVEXPCJOLPL-QGZVFWFLSA-N 439.545 1.107 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C 1705477569 PTFYFMOITYIOKV-UONOGXRCSA-N 445.549 1.290 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)nc2)n1 1705631552 IPBDKEPSIRJEFF-FQEVSTJZSA-N 448.531 1.464 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1705754762 FRJKPWFCNBXULG-RKVPGOIHSA-N 430.958 1.707 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N(C)C 1705846597 LLFXQTUWQBVCPZ-UHFFFAOYSA-N 425.581 1.743 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)C[C@H](C)C(=O)NC 1705896019 ZUFOXLMMDZDQPF-HNNXBMFYSA-N 436.520 1.456 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](COC)C1 1705902490 FYBCFUBEOQEKCX-KRWDZBQOSA-N 440.552 1.227 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1705934722 VIKVIYHSUMFIPC-UHFFFAOYSA-N 449.558 1.262 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1705934968 CHRCYLXJVNNWCE-QGZVFWFLSA-N 449.552 1.571 30 10 IDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c(F)c1 1711835221 HPZGJGBIHIKESN-CYBMUJFWSA-N 436.513 1.824 30 10 IDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1712884641 PQYGIZHBVFWWST-CVEARBPZSA-N 428.459 1.613 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1722309632 YGKIXTHDLLQPTD-KRWDZBQOSA-N 431.566 1.413 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722366549 HVKACVIXICSBPD-SGXKBVARSA-N 443.573 1.826 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1722399324 AZZUEABJIMIYEF-SFHVURJKSA-N 442.564 1.944 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1722399809 UCDQNEPRFWMJEX-UHFFFAOYSA-N 448.552 1.617 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=C)Br)CC1 1722440133 DAQUDGCWNHEZNV-UHFFFAOYSA-N 449.378 1.933 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCCCO)C1CC1 1722510879 XNFOFEXXZSUSKA-AOIWGVFYSA-N 438.594 1.903 30 10 IDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 1722540042 AFKMDPOCVWBAPR-HXUWFJFHSA-N 443.573 1.952 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1740671713 MVLDLXSINZGSMZ-IRXDYDNUSA-N 437.541 1.707 30 10 IDEE C=C(C)COCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1740798888 CUICJKIWBICONS-GOTSBHOMSA-N 449.596 1.824 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1740955893 HUEGVKUGVSMSCL-QGZVFWFLSA-N 425.537 1.775 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740969887 XJZMGGKOQRKOTA-APWZRJJASA-N 438.532 1.899 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748657586 FNHWJFLXFXTZQP-VFNWGFHPSA-N 425.514 1.501 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1C 1748665822 VITOBXQUIWKJON-OAHLLOKOSA-N 431.504 1.700 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748810687 ZPHZEKAWJBYDOY-KRWDZBQOSA-N 429.546 1.405 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCCn1ccnn1 1748941104 XIRLEVHACSSJSZ-UHFFFAOYSA-N 436.495 1.975 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)N(C)CC)CC1 1748984405 MHVRAOCWWPYLKR-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749119925 YLPQTGYGAYCVFB-ALYAQQCSSA-N 427.571 1.077 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749209401 WXQLDXLJPOBFPT-BJLQDIEVSA-N 434.585 1.615 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 1749390174 BNZLHUIAEYETMF-INIZCTEOSA-N 434.570 1.361 30 10 IDEE COC[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749522667 FNVZQGXAQWECKR-SAZZCXPWSA-N 430.509 1.519 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749725462 VJDHIHAFNIFLTR-MOPGFXCFSA-N 443.573 1.823 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1749932006 AIMATEJGXCNTIE-NRFANRHFSA-N 445.527 1.977 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CCO1 1750387879 DGTJKFRCVGNZJJ-MSOLQXFVSA-N 436.582 1.175 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1750923779 GGLSGQZYXSFQFT-YCRPNKLZSA-N 428.493 1.704 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)CCOC1 1751025282 APJKDXOAEQATFC-DBXWQHBBSA-N 435.525 1.243 30 10 IDEE C#CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC)[C@H]1CCS(=O)(=O)C1 1760190168 STXBCJUUCRTQKA-HNNXBMFYSA-N 440.529 1.229 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1760190347 ZYUGWBKFFYOYKM-HXUWFJFHSA-N 447.605 1.821 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)N[C@H](C)CC)CC1 1760258793 SDMAIQODDBDRAX-QGZVFWFLSA-N 438.532 1.734 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1760259913 IHUUVVKGQHTVSB-QFIPXVFZSA-N 446.559 1.802 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1760464492 ILMZGSRWEHFOGW-MRXNPFEDSA-N 425.942 1.935 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760512935 AWFFVEQTKCVHDB-NOXFTYBFSA-N 446.596 1.495 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760522694 AYKHFVIQQTVIQH-QFIPXVFZSA-N 425.537 1.252 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1763723184 ULRROVRFETUPRI-AWEZNQCLSA-N 425.493 1.232 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1768526689 ZWHPBYFMBGZDNI-UHFFFAOYSA-N 449.537 1.027 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1CCCO 1768633266 DNKKYDHWZPBJCZ-WOJBJXKFSA-N 437.548 1.584 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1OC 1770086043 APPWFWONHCKATE-PXARDIRTSA-N 429.477 1.231 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1770142496 AHCUNDPGMWFTGQ-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CCc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCOCC1 1772791257 QTKPLSZVPVHMEF-UHFFFAOYSA-N 444.465 1.638 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3C[C@H]3C(=O)N3CCc4ccccc43)CC2)nc1 1851221102 HJEVYXKRYQBOPY-RTWAWAEBSA-N 445.523 1.844 30 10 IDEE C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854418190 CBRJVBLHCSOAQS-HNNXBMFYSA-N 437.493 1.820 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3O2)C(=O)C12CCCCC2 1854421669 UOUDXQDVLKEUOY-GOSISDBHSA-N 431.514 1.607 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(Cl)ccc3OC)C2)CC1=O 1856804349 VVJQZUHSJQCUHS-JSGCOSHPSA-N 444.893 1.231 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)C1=O 1857166935 DMLRWIALHOXXPR-QGZVFWFLSA-N 428.855 1.702 30 10 IDEE C=CCN(Cc1ccco1)C(=O)CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1858033059 BECWTBKEYOUIKH-UHFFFAOYSA-N 431.470 1.010 30 10 IDEE C[C@@H](C#CC(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902013585 IFZXWMGFNDEUHG-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2 2216030919 MGRRNWLRDVHYDG-SWLSCSKDSA-N 425.345 1.840 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1 2255653870 OZSSCYBMZYBYQQ-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255826113 KSCCLSQXJNTYFZ-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255826354 OTPZOLCLDHHBKF-UMVBOHGHSA-N 432.330 1.694 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 2267269813 HLKDRPCHKSCESB-UHFFFAOYSA-N 443.275 1.855 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c(O)c2)OC1(C)C 2267699391 VBLIRXKXEPTRAZ-UHFFFAOYSA-N 438.333 1.668 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2267882676 WAFNTJOBYSVUJS-SOUVJXGZSA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2306547154 UAKISCXPORFYOS-JBYIUTFZSA-N 430.505 1.443 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2332885067 PFERRGNOPRJFLD-MGPQQGTHSA-N 426.267 1.600 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)c(C)c1 20292357 XERQPIZXUGNGLH-ZVBGSRNCSA-N 443.489 1.897 30 10 IDEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)n2N)n1 20527637 UECYABRWBGAFEB-UFWORHAWSA-N 431.551 2.000 30 10 IDEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)nnc1C(F)(F)F 20840153 ORQNQZNLBOMRDK-UHFFFAOYSA-N 445.471 1.865 30 10 IDEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc1OC 59310914 CINLHJKGBAYJJC-ZVBGSRNCSA-N 444.521 1.452 30 10 IDEE O=S(=O)(O)c1ccc(O)c(/C=N\CC/N=C/c2cc(S(=O)(=O)O)ccc2O)c1 109590520 DGXBATIUPOGBES-BUOZRGFLSA-N 428.444 1.129 30 10 IDEE C#CCn1c(=NC(=O)c2cc(OC)cc(OC)c2)sc2cc(S(N)(=O)=O)ccc21 254876547 QXSULBTZMGBBPA-UHFFFAOYSA-N 431.495 1.742 30 10 IDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 446177673 QQBAVNUZTKVDAD-RHSMWYFYSA-N 433.896 2.275 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CC1 446204530 FRQPSSURKASCFD-UHFFFAOYSA-N 431.456 1.979 30 10 IDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 477037440 QBQMQSOUSLHWCI-UHFFFAOYSA-N 426.498 1.354 30 10 IDEE C=CCn1c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)nnc1-c1cnccn1 481333468 BLTKMARMNIESJY-MRXNPFEDSA-N 431.566 1.486 30 10 IDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1OC 488702450 RTHLAGOQMXVATI-UHFFFAOYSA-N 433.461 1.861 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 505970849 LJPHRGZRHUYTBF-RXVVDRJESA-N 430.549 1.647 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc(C)c2)CC1 508496073 CDJHULSJUJJJMT-IBGZPJMESA-N 446.577 1.432 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 508921644 MIKRKAHRYKYLKB-INIZCTEOSA-N 425.555 1.194 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc3c(nc2O)CCCC3)CC1 517590448 YUBFUBMXRDLGLL-UHFFFAOYSA-N 426.498 1.684 30 10 IDEE C=C(C)CN1CCC(NC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 538383888 FRRHUEPMVVXTHL-FCHUYYIVSA-N 425.577 1.925 30 10 IDEE CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 540214251 VJQOPYAPJLNULF-UHFFFAOYSA-N 434.543 1.137 30 10 IDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 547269974 HONSIKSMFHBDAX-RHSMWYFYSA-N 432.502 1.648 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2c(Br)cnn2C)c1=O 572348727 ZTQYAQRSFBMZIX-UHFFFAOYSA-N 435.347 1.710 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 573528231 YDXNLBBCVULTLT-IBGZPJMESA-N 447.561 1.998 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC)CC1 580529473 CSAFRSGHRAIOLG-UHFFFAOYSA-N 445.955 1.306 30 10 IDEE CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)CC1 582457717 BTYNTYHFSOQYPQ-UHFFFAOYSA-N 431.484 1.187 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1 604308825 SIJQVKVEIRZWPR-UGKGYDQZSA-N 428.533 1.051 30 10 IDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 604523552 DWKHLQLBCQJMDS-UHFFFAOYSA-N 441.465 1.481 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCN(CC)C3=O)nnc12 670171793 UCOXHTCVIHIWRB-AWEZNQCLSA-N 426.502 1.059 30 10 IDEE COc1ccc(C#CCCO)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703975756 YSJZDTURJXMZDV-UHFFFAOYSA-N 428.466 1.467 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727415425 OXSBHHPQXULCFR-UHFFFAOYSA-N 431.420 1.036 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1 728089185 PGXGIZCTJLGKLX-ZDUSSCGKSA-N 444.465 1.910 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn4ccccc34)c2=O)CC1 729669920 WLXJEPYKGMSHLQ-UHFFFAOYSA-N 447.564 1.696 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(C(=O)N2CCSCC2)c1 732428934 AKWNCBDHRSMHSW-ZCXUNETKSA-N 429.502 1.524 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 732467159 VUZWZNJDNGQFFR-MRCUWXFGSA-N 437.500 1.524 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 734293865 QYCOEUJRZGIKMY-SFHVURJKSA-N 447.538 1.915 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3c(C)cccc3C)c2=O)cn1 735069024 KOWFHSJHLYCUAV-UHFFFAOYSA-N 447.564 1.904 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 746163794 ABVXLWGZAYDSHV-HNENSFHCSA-N 434.518 1.296 30 10 IDEE N#Cc1cccc(CNC(=O)COC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 746748435 YXPWKYFBIYDPQT-QFIPXVFZSA-N 446.463 1.193 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)c3cc(C#N)cn3C)CC2)cc1 751726240 CRZURUSBFRMTAA-MRXNPFEDSA-N 444.513 1.284 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)C[C@H]1C(=O)O 757548557 WJTDAVWNCXPXPP-UXHICEINSA-N 447.447 1.634 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2OC)c1=O 758061192 XVBQMVPMRJPSPF-UHFFFAOYSA-N 430.485 1.946 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2I)CCN1C1CC1 759015288 UEKSMAJUIOUKOS-NSHDSACASA-N 442.232 1.568 30 10 IDEE COC(=O)[C@]1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCSC1 759925753 YPFZZMZEMOTMJC-IBGZPJMESA-N 439.559 1.450 30 10 IDEE COC(=O)Cn1cc(CCSc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)nn1 772840540 NCUYLSDRDGFTPV-UHFFFAOYSA-N 426.458 1.829 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cncc3ccccc23)c1=O 772898945 QSDZYDGUBNTTNQ-UHFFFAOYSA-N 432.505 1.006 30 10 IDEE C#CCN(C(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 774193024 PDDAYFDNNSBDEA-IRXDYDNUSA-N 437.587 1.633 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 774255836 LAZXZZKURLNFMF-GOSISDBHSA-N 447.605 1.781 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)/C=C\c4ccccc4C#N)CC3)C2=O)n(C)n1 780561009 KEQKQJPBWJPLSU-YUQDSPFASA-N 432.528 1.953 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1C1CC1 781659341 XPXOTQGXCPVVGL-UHFFFAOYSA-N 426.542 1.685 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)n1 788567783 CPRTXLBRAOLFMB-UHFFFAOYSA-N 439.516 1.598 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](C)N1CCCCC1=O 788617673 ZCQSBICMEUCAPG-WBVHZDCISA-N 434.562 1.801 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 798798846 BLWPVMRRHDYSDK-LJQANCHMSA-N 425.489 1.374 30 10 IDEE C[C@@H](C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)n1cnc(C#N)n1 801086360 KCPHQSISOLXWQG-STQMWFEESA-N 445.446 1.311 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1cnnn1C 807929529 KNMHWCZLUGZOMH-GOSISDBHSA-N 443.577 1.713 30 10 IDEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cnn(C)n2)C1=O 807930346 QNJPKQKNNHQDSG-QGZVFWFLSA-N 447.540 1.544 30 10 IDEE CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 818097610 DGGJTUYRVGYUOF-DQRAZIAOSA-N 437.456 1.968 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NN3C(=O)N[C@@](C)(c4ccc(OC)cc4)C3=O)cc2C1=O 906492870 RSZSQDZKVMWROZ-QHCPKHFHSA-N 448.435 1.589 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc3ccccc3n1CC#N)CCS2(=O)=O 1134650149 BLOUHLNEBIAKKC-TZQQIIETSA-N 429.498 1.794 30 10 IDEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cs1)C(N)=O 1136107755 PQMQCARESLCKTR-HNNXBMFYSA-N 430.559 1.657 30 10 IDEE CS(=O)(=O)N1CCC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1136382027 VFOVDPIYPCCOTG-OAHLLOKOSA-N 441.351 1.297 30 10 IDEE C#CCN(CC(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1)C(=O)OC(C)(C)C 1142744707 ARMGJQBFSOENTR-UHFFFAOYSA-N 449.573 1.404 30 10 IDEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1 1159641722 PXTOTCNIFFHYOP-KSSFIOAISA-N 429.498 1.937 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)cc1 1174570772 QTNFKOVIXGJEKI-GOSISDBHSA-N 425.514 1.898 30 10 IDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1176832939 NHOZVIBQLSOMHM-OAHLLOKOSA-N 427.929 1.800 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CN=S(C)(C)=O)CC1 1178424952 IFMHEGBQCCAFKL-CQSZACIVSA-N 426.564 1.191 30 10 IDEE C#CCN1CCC(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1213773403 OOEIMZYLRRODIF-PMACEKPBSA-N 435.546 1.039 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286303054 XCXAARLPDRULNB-YWBAYFEHSA-N 445.483 1.713 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccc2c[nH]nc2c1)[C@H]1CCS(=O)(=O)C1 1286397747 UMEUKIOLYIAIAF-SFHVURJKSA-N 442.545 1.560 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1286397827 QFEGXWANDANKAP-HNNXBMFYSA-N 433.509 1.295 30 10 IDEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CC1(O)CCS(=O)(=O)CC1 1286451054 QMUJXIGSSATAQY-UHFFFAOYSA-N 446.573 1.873 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1286746214 RULHVPWQMOKHBI-LJQANCHMSA-N 446.573 1.914 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(N)=O)nc2)C1 1286813227 SPIOIYXBDSEJFJ-SFHVURJKSA-N 436.520 1.463 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(CO)CC1 1286823982 SHRXBPGWUNUCOG-UHFFFAOYSA-N 438.525 1.806 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCCCO)C1 1288976574 AWNRYCULTUXQGA-MAUKXSAKSA-N 427.596 1.426 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCOC)CCOC1 1296652360 RKJRYDGXCUAYGL-QFIPXVFZSA-N 441.536 1.560 30 10 IDEE CNC(=O)CC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1299156978 JYRAMKIQAUFSRC-CZIZESTLSA-N 429.525 1.280 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCOCC2)nc1 1300267147 FNPUNRWXCXGNOC-KRWDZBQOSA-N 439.564 1.934 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1300411542 SUSSMNTYZHDIML-VQIMIIECSA-N 425.555 1.030 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OCC)n2)CC1 1300422012 WGMMIRGZVSLJRR-UHFFFAOYSA-N 438.536 1.329 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300495856 KDBOLILQQVDUNZ-UXHICEINSA-N 449.621 1.878 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(F)c(F)c1 1300648791 JHRFKPRSISSPQU-UHFFFAOYSA-N 433.459 1.957 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C(=O)NC)C1 1300874019 LBKMGIBERLNYMO-NJAFHUGGSA-N 448.568 1.129 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300913113 QYWHCSLJVYDNLP-HNNXBMFYSA-N 434.541 1.925 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1300990894 NGGQFIABKXNMMX-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)cc(OC)c1 1301297941 WKTBWBBBRSFBPA-QGZVFWFLSA-N 439.513 1.429 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301587391 VAKNIUJCSXNDDL-IPMKNSEASA-N 431.562 1.583 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1303770740 BPDGPGDQLKONAB-VBKZILBWSA-N 430.534 1.164 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306533756 CQWMMDNNBWJXOZ-HTAPYJJXSA-N 438.536 1.374 30 10 IDEE C#CCCN(CCOC)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1307956470 UQBUMZZHDZUVHX-HDICACEKSA-N 437.562 1.395 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1314390914 PVDIRBBEJDEGHC-QGZVFWFLSA-N 438.536 1.323 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1314495609 JAXLQTVVIZROHW-FQEVSTJZSA-N 426.521 1.391 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1314805864 RYFYOAIVNWZGDX-YLEKHRKWSA-N 430.509 1.661 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N 1315971807 CMVRIKRXFNUBRD-HTAPYJJXSA-N 442.568 1.978 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CC2=O)cc1 1321272311 ABNVKGUBPOBRRJ-MOPGFXCFSA-N 432.480 1.707 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1358937700 FHXAETGJNJABNU-INIZCTEOSA-N 427.534 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1359041684 FKFIXLOVNHQHOC-UHFFFAOYSA-N 449.603 1.370 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359121429 PGQCLCDWKQSOHJ-MOPGFXCFSA-N 431.585 1.037 30 10 IDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359153325 BAONPWZUTKMIRF-UHFFFAOYSA-N 449.968 1.787 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(COC)o1 1359291237 IYJWLSVONXSSPX-INIZCTEOSA-N 430.509 1.799 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1360481245 NAGGWXSQNRGWSC-CQSZACIVSA-N 426.456 1.946 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCSCC(F)(F)F 1360684801 QWVYZEIZXQUMDV-GWCFXTLKSA-N 444.480 1.626 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(CC#N)n2)CC1 1438815545 AEYKJWPFJWVREL-UHFFFAOYSA-N 442.497 1.974 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1454932260 ANGWAICAFPXDAI-KRWDZBQOSA-N 444.488 1.993 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1456475316 KMRLQWDKPDZLCA-FQEVSTJZSA-N 429.498 1.697 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](CO)C1 1460757397 FOULBWCMHOTSMO-GOSISDBHSA-N 440.504 1.596 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1CN1CCNC1=O 1466473070 DZFUUGYSXHBCKL-UHFFFAOYSA-N 427.486 1.279 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1468671327 UWABXXCOASUBER-UHFFFAOYSA-N 446.550 1.652 30 10 IDEE N#Cc1cn(CC(=O)N2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(=O)nc1O 1469957394 SQQQHHZFDSZMNU-GXTWGEPZSA-N 441.410 1.003 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCCCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1471528145 GKXVBLRLIMWSBW-SJORKVTESA-N 427.567 1.998 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCN(CC)CC1 1499145068 BXMBOULDUXFUNP-UHFFFAOYSA-N 437.596 1.461 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503374389 NEFGCRQOFABURG-KRWDZBQOSA-N 441.511 1.598 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1503546576 UQJYJJTWTXRYHV-ROUUACIJSA-N 437.504 1.810 30 10 IDEE CO[C@@]1(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCOC1 1504052745 HNXANMDPZVOXIN-JOCHJYFZSA-N 425.537 1.875 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1507515598 YQTGPVMLBQRDJK-QGZVFWFLSA-N 446.515 1.663 30 10 IDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507571599 HEAWQGJOBHQXRP-SESVDKBCSA-N 428.581 1.922 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1507647647 FTXCELWOSRDKIO-UHFFFAOYSA-N 431.500 1.037 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)n1 1507714516 QBFFECPEWZKLKW-HTAPYJJXSA-N 430.553 1.598 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC2CCN(CCN(C)C)CC2)CC1 1507731839 QOFCBXMXKQMVCM-UHFFFAOYSA-N 427.641 1.965 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1507752608 CRDKLNFVZGODKV-GHTZIAJQSA-N 430.578 1.890 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507808215 UDYVLUOBTIRREE-YZIUBNRHSA-N 433.553 1.700 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccccc1 1507853946 HPOZXCQTZBRGEY-IAGOWNOFSA-N 446.577 1.694 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1508089818 ZSVIXQDCWJQISO-GOSISDBHSA-N 425.537 1.109 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(F)(F)Br 1510190979 KCBPBENUFXPXGZ-KWQFWETISA-N 445.265 1.318 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)COC)c2ccccc2c1=O 1515948990 BFCTYDAZPJQMJH-HOTGVXAUSA-N 437.504 1.686 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1(C)C 1518605570 AKGDOPMKZFXXJP-IRXDYDNUSA-N 437.504 1.666 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1518612068 KTNWFCBIIKSELG-PXWUZIAUSA-N 425.493 1.661 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1518751425 OYHSRJBYXNBXFK-PMACEKPBSA-N 428.512 1.960 30 10 IDEE CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2I)C1=O 1538266425 NKWAWKSBNDJFEA-OAHLLOKOSA-N 426.214 1.822 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1539013617 JDDMJCSDFVDQFZ-XSLAGTTESA-N 439.582 1.130 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1539218758 CMUSRAMFNBUMPL-SFHVURJKSA-N 432.521 1.671 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1539219255 BPKYOQOPKSNOPY-QZTJIDSGSA-N 432.550 1.433 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1540077846 TYZKGJHQVMLNBT-KKSFZXQISA-N 436.557 1.275 30 10 IDEE Cc1occc(=O)c1OCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1540832665 UMDXOQIDERXLBH-UHFFFAOYSA-N 425.420 1.855 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1540859886 RPLXEBRZXWDUQV-SFHVURJKSA-N 429.569 1.110 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1540912482 ACOUNCWXIPXPPJ-UHFFFAOYSA-N 443.621 1.947 30 10 IDEE C=CC1(CC(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1545485219 DUEHTKPROUKCAA-SFHVURJKSA-N 434.581 1.955 30 10 IDEE CN(C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552858577 LWIZQWGTKUZONX-QGZVFWFLSA-N 438.536 1.352 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCOCC1 1554149266 GSOOZFSBHZOZGJ-UHFFFAOYSA-N 438.532 1.954 30 10 IDEE COCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1555723963 VDKJCRCSUGNWOD-UHFFFAOYSA-N 448.531 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)(C(N)=O)C1 1556196944 FRORUNQDKAEKJX-CQSZACIVSA-N 431.468 1.115 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 1556643015 CPJYYMGBIALXCA-KLIQENQMSA-N 445.545 1.735 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(O)C1=O 1556782615 NARABUHSYYQKNW-HOTGVXAUSA-N 435.477 1.510 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 1557239699 FUFNVGYSTFDSEK-YADHBBJMSA-N 439.560 1.309 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1557798251 AFKSXSPAKHBGQC-CVEARBPZSA-N 427.542 1.979 30 10 IDEE CCCN(C(=O)[C@H](C)N1CCN(c2ccc(F)cc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 1560077266 GHFZRZCDVOUVFG-QFBILLFUSA-N 436.553 1.634 30 10 IDEE C#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 1569856972 APUQTPGRYFFSBG-NRFANRHFSA-N 441.553 1.307 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnc3ccc(Cl)cn23)s1 1585245546 HURIDGKBIUPNLT-UHFFFAOYSA-N 425.923 1.767 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1587808453 RURQPNXFQATEMJ-DLBZAZTESA-N 438.598 1.290 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1587861327 JZTANXMDPWNLPX-MSOLQXFVSA-N 447.565 1.099 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1587988874 DBKXZQIHFLLHNY-INIZCTEOSA-N 434.541 1.524 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1588054652 PHOFXRIBPSHSTL-OALUTQOASA-N 441.557 1.407 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588064331 GIEBWITXDAIHRN-KRWDZBQOSA-N 438.619 1.770 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)CC 1588079027 QFYFYDVEQLFIJP-UHFFFAOYSA-N 426.908 1.413 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1588113101 GYBSVZBYTAEURD-UHFFFAOYSA-N 441.539 1.730 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588133893 OCMDJQLIRKHORC-KRWDZBQOSA-N 429.521 1.539 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1588140667 ZSQXSIXZLAEBAI-XLIONFOSSA-N 440.525 1.688 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1588228066 ABOFSSOPCXGLJS-IBGZPJMESA-N 429.590 1.518 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C)C(C)(C)C2)CC1 1588806338 NLDANXPPXULEIS-UHFFFAOYSA-N 436.608 1.430 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCN(C)C(C)(C)C1 1589600270 ZJNYKOVZIIMACI-KRWDZBQOSA-N 441.646 1.317 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1595785138 RFVMMTWAOVINEJ-OAHLLOKOSA-N 433.534 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1595785149 RNGHLZQVBYOLBH-KRWDZBQOSA-N 447.609 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1595823269 MRIBEKYRFZASHT-INIZCTEOSA-N 433.534 1.078 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2F)C1 1603205328 NTCRKMMUDGNKMH-UHFFFAOYSA-N 449.416 1.363 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1 1613897333 AEHJVXYRQMWVJB-VLIAUNLRSA-N 435.504 1.797 30 10 IDEE C#C[C@@](C)(CC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1627870328 CKHMUZRKAJDOIZ-NRFANRHFSA-N 432.546 1.445 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC1(N2CCC(OC)CC2)CCCC1)c1cc[nH]n1 1628163525 PTHCDUKYQCWTPM-UHFFFAOYSA-N 435.525 1.233 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 1629358639 MFMFKXDKDSPJKT-UHFFFAOYSA-N 446.550 1.630 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1630719806 KXOWLEBKCJDGFF-JTQLQIEISA-N 445.261 1.908 30 10 IDEE C=CCN(CC(=O)OCC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1630850977 GCEFCDYMMQVXOY-OWCLPIDISA-N 444.550 1.234 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)cc(C)c(Br)c2C)CC1 1632966351 MSRAZWLOYSMVGM-UHFFFAOYSA-N 428.352 1.600 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1coc(CN(C)C)n1 1639455171 ZKMOGAOTQDWBKC-INIZCTEOSA-N 433.534 1.506 30 10 IDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1641382774 LUVKRPVXFUZRTA-UONOGXRCSA-N 447.435 1.611 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)cc1 1644730108 DJUNQBOILAKVDP-CYBMUJFWSA-N 441.435 1.244 30 10 IDEE C=CCCS(=O)(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1655643382 XNKUBTMLVLKAQG-IAGOWNOFSA-N 442.582 1.760 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(S(=O)(=O)NCC)c2)c1 1663777380 FPYYEAXVTZSQPH-UHFFFAOYSA-N 437.543 1.379 30 10 IDEE C#C[C@H](NC(=O)N1CCC(n2nncc2I)CC1)[C@H]1CCCO1 1671889561 IXCPDQWXXLTPIM-QWHCGFSZSA-N 429.262 1.410 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1687523860 KJXNVTGCPYMZGY-QFIPXVFZSA-N 444.536 1.811 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCNS(=O)(=O)CC)c1 1689870770 ZXLFCZXWIPYTBA-UHFFFAOYSA-N 430.534 1.151 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1690206536 TZCBOMPBWUDPBU-DENIHFKCSA-N 443.573 1.960 30 10 IDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCC(=O)NC 1690232287 GGLKRHIRRIDUOM-UHFFFAOYSA-N 441.355 1.751 30 10 IDEE C=C(Br)Cn1c(N(C)CCC(=O)NC)nnc1[C@@]1(OC(C)C)CCOC1 1690233929 WBMQXPHKMYDHOA-QGZVFWFLSA-N 430.347 1.800 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCC1CC1 1690345697 AZFXDOGDDGDDBB-OAHLLOKOSA-N 433.962 1.226 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690506082 BWMGYWNGOHQMFP-LJQANCHMSA-N 427.553 1.609 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1690620302 WWSZOXRCTBCHAI-IVZQSRNASA-N 440.504 1.773 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1690700752 XAVPPTROHQGNPQ-MJGOQNOKSA-N 432.546 1.910 30 10 IDEE C[C@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)C2 1692887360 YLKBGNHIRDYMLD-NRFANRHFSA-N 426.477 1.247 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1 1697011426 NUKXOGKPYVJXQS-UHFFFAOYSA-N 448.487 1.188 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(F)c1 1697452763 DBPBKCSQLKZCPV-ZBFHGGJFSA-N 435.481 1.105 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1698029296 QJMMLJOUCLWGGB-QFIPXVFZSA-N 426.521 1.391 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@@H]1O 1698442775 MVXONXIYRUQLMW-AHRSYUTCSA-N 427.505 1.741 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(OCC(N)=O)c1 1705480935 ZGKKFQVGLKIIMZ-GAJHUEQPSA-N 441.532 1.689 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1705546629 GOINURCHJIBVRM-QGZVFWFLSA-N 429.329 1.871 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)[C@@H](C)CCC 1705550116 CABKHODDPOAVKU-INIZCTEOSA-N 445.593 1.860 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705563924 HZESWYYSTILPLX-GUNSETOZSA-N 449.602 1.514 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1705565002 DZGOSWWQMLDZCY-SJORKVTESA-N 449.577 1.063 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1705628475 HZDYDAYQOMICPU-SFHVURJKSA-N 442.545 1.385 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(=O)NC(C)C)CC1 1705636217 BOIQSQSJLZPHOM-UHFFFAOYSA-N 440.548 1.632 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705843351 CTRZSFCCZVQCGR-YVSFHVDLSA-N 427.571 1.437 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705899969 LWNTWNLSSMZPIZ-GDBMZVCRSA-N 429.525 1.925 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1705908837 ILPIWDIRFMCCKB-KRWDZBQOSA-N 438.532 1.794 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@H]2C)cc1 1705910142 SNCCWCANRVNSLA-CVEARBPZSA-N 435.550 1.727 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(F)CCC1 1706887588 NQAVXTLXLQOLGO-GOEBONIOSA-N 439.561 1.347 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1722278759 QXLJIYRHWOMVQV-LLVKDONJSA-N 431.298 1.647 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1722406181 WAEHUEHXWHZJDT-CZIZESTLSA-N 435.444 1.839 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CCC 1722427780 ZJWIMJUFEBHQLP-BRWVUGGUSA-N 425.555 1.058 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOCCOC)CC1 1722435723 NGPMEQKBADDCTP-UHFFFAOYSA-N 441.532 1.525 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCS(=O)(=O)c2ccccc2)CC1 1722444288 WCTIQVKRLNFJRO-UHFFFAOYSA-N 429.546 1.416 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1 1722495100 UXYYGDGOTGEYPE-QYZOEREBSA-N 430.553 1.600 30 10 IDEE C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722597773 RABZTHGNVZGBKM-QGZVFWFLSA-N 439.476 1.357 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722697330 HWQHJXPXLYGMHV-SJORKVTESA-N 438.532 1.979 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1722702044 CWJFQWLNWOUGKD-KRWDZBQOSA-N 438.532 1.794 30 10 IDEE C[C@H]1COCCN1c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1726748313 FUQWCYZVSTWINZ-IWKHNONTSA-N 440.479 1.760 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@](C)(O)CC)CCOC1 1728797778 QAQFQEFHKAPEKR-FCHUYYIVSA-N 442.520 1.626 30 10 IDEE CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C(=O)OC(C)(C)C 1729518401 ACKJZVLDRYXQEW-VBKZILBWSA-N 435.504 1.928 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1740716566 UGKGHMZISSUSCM-KRWDZBQOSA-N 443.552 1.846 30 10 IDEE C=C(Br)Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1740748551 HSIXQCQFUJQLTE-RDTXWAMCSA-N 442.358 1.894 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 1740773907 GWIBEBXEAOMHLY-CQSZACIVSA-N 441.583 1.222 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1740875584 GJRPDIFLHAQFBV-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740885547 JCLNQVZBUASYNX-IRXDYDNUSA-N 432.569 1.953 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1741797856 BSCCQLHEBGHAEA-LLVKDONJSA-N 446.313 1.927 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@@H]1C 1747187510 CWDFAEUGPKPNIY-SFHVURJKSA-N 440.552 1.129 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cccc(F)c2[C@@H]1C 1749678026 SMDAFGLCZNZBSH-HNNXBMFYSA-N 426.496 1.966 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749752148 JUPUEOZLWZHNRT-MRXNPFEDSA-N 442.593 1.443 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750389644 FVQYGMHTIZGSGR-NRFANRHFSA-N 440.529 1.496 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1760181551 XIKJTRUGNLDVHM-MRXNPFEDSA-N 446.529 1.933 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1760184970 NETCWQXOJQIODP-AEFFLSMTSA-N 448.570 1.007 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1760185186 RTFYDWFVKKGDRV-INIZCTEOSA-N 449.964 1.751 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1760243598 AWVCNZAXBHKLQN-UHFFFAOYSA-N 448.329 1.209 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760525913 WLPBHBOVPUOAJD-KRWDZBQOSA-N 443.577 1.527 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H]1COCCO1 1761037164 VNGCAQSMLLYSBZ-ZWKOTPCHSA-N 440.552 1.659 30 10 IDEE CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1766949827 ICULFCVMGPZMFX-OAHLLOKOSA-N 442.549 1.661 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1769268289 MTZJEDMBDHWCBP-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)Nc2ccccc2)C1 1770727598 HZFGCVVMOJLUGP-YWZLYKJASA-N 446.508 1.651 30 10 IDEE N#Cc1c(NC(=O)Cn2ncn(-c3ccc(Br)cc3)c2=O)nc2n1CCCC2 1851203515 HJSHUPSPOPKRSQ-UHFFFAOYSA-N 442.277 1.840 30 10 IDEE CCN1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851729750 BLRLDKZNGRHAGF-OAQYLSRUSA-N 426.542 1.612 30 10 IDEE COc1ccc(-c2cc(=O)n(CC(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)cn2)cc1 1852486997 KCTPVBNSQVJJPK-SFHVURJKSA-N 433.424 1.549 30 10 IDEE Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1c(C#N)cnn1-c1ncccc1C(F)(F)F)CC2 1852738886 OETOZRFWPHOTIY-LLVKDONJSA-N 443.389 1.995 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2=O)c1 1854459838 MNGFAYWPLXKRPA-OAHLLOKOSA-N 442.825 1.854 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(C)c1 1861979573 GBINAFKVZUYWRE-NRFANRHFSA-N 437.496 1.852 30 10 IDEE COc1ccc(-c2cc(C(=O)N[C@H](CO)C(=O)Nc3ccc(C#N)cc3)nc(O)n2)cc1 1866623708 ZIOVVDUGPLXERM-LJQANCHMSA-N 433.424 1.459 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 1993664537 BVONUBKJUCIOBK-HNNXBMFYSA-N 425.526 1.639 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CO 2006231412 NHHRYOHCMIAIEK-QWHCGFSZSA-N 427.361 1.822 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC1 2082038081 VOSPDGKFHKBFIY-HNNXBMFYSA-N 437.346 1.935 30 10 IDEE CC1(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CN(C(=O)OC(C)(C)C)C1 2248479246 QJKQEZPGCWZPSX-UHFFFAOYSA-N 438.359 1.845 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1 2255648770 NVVSKNUDSKFVNC-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255810569 LSOQIQKDPQHCKX-LLVKDONJSA-N 447.288 1.973 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255819905 IQQFKVUGOYNVTG-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE Cn1cc(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267514784 FBAZMPZFBCPJIV-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE Cc1c(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267529303 YOTJOPGPPVWIDV-UHFFFAOYSA-N 446.357 1.863 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](CO)C1 2268700331 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CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518719559 ZHXVFHZXIYMYKX-UHFFFAOYSA-N 441.553 1.307 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1 521583604 NIVCBLPTHVSUNT-UHFFFAOYSA-N 439.488 1.701 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 521615306 DCSITVBSPVKOFW-UHFFFAOYSA-N 442.497 1.408 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)Nc3ccccn3)cc21 526896165 HRMQGQVIIMCPCA-NGFNCXNUSA-N 427.482 1.952 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCCO3)c2=O)c1 538495600 QTGWPEWBIQVXRB-KRWDZBQOSA-N 441.553 1.919 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 540121938 DDFTXXTXLSZXRW-KDOFPFPSSA-N 431.518 1.176 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 540604301 HHJXJBPQMKIEKI-CQSZACIVSA-N 432.506 1.923 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 549641057 GYYCHZNCIAOFFT-UONOGXRCSA-N 438.558 1.039 30 10 IDEE 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COCCCNC(=O)[C@@H](C)N1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 739856296 GBVTZLXWWCGNQT-QGZVFWFLSA-N 425.537 1.242 30 10 IDEE CC(=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(N2CCCS2(=O)=O)cc1 748254540 BDHFBLBNAALIAF-UHFFFAOYSA-N 438.487 1.837 30 10 IDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 756657258 BWFQQYWGFZZJGO-GFCCVEGCSA-N 433.324 1.137 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccnc(O)c2C1 757647771 PMACRUVZUFNLAN-KRWDZBQOSA-N 428.514 1.969 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 765905136 NHTJETBNBBCSFD-LESCRADOSA-N 433.486 1.169 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774221353 WUSNBYWITRYNLL-GOEBONIOSA-N 445.463 1.996 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 780203326 BISSBPGWXBXQGJ-QUCCMNQESA-N 444.440 1.618 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 782694694 BLBBOBLQDIPMPX-GJZGRUSLSA-N 448.545 1.726 30 10 IDEE 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C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1286690732 OFIPQMOARGXLOQ-UHFFFAOYSA-N 435.598 1.968 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286832042 GWTXVCKXHBQACF-OAHLLOKOSA-N 429.612 1.609 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)CCOC1 1288320718 CENCKPURSCHVHE-YRJQNMBXSA-N 439.582 1.595 30 10 IDEE N#C[C@]12CN(C(=O)c3cccc(F)c3I)C[C@H]1CS(=O)(=O)C2 1289436900 QTGBHGPSPPGKNA-LKFCYVNXSA-N 434.230 1.441 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)s1 1291775948 QBDKQYGHEQPAMH-CQSZACIVSA-N 449.620 1.075 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)(C)C)nc1 1300271002 FZVFQSNKNSKWKD-CABCVRRESA-N 434.566 1.967 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCN1CCN(C(C)=O)CC1 1300439821 ILIBLAMNQGJAAE-UHFFFAOYSA-N 432.475 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1300556687 LVQJZFQOFVXGJS-GOSISDBHSA-N 442.589 1.774 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300761193 ACHHHOPOAUFDOC-MAUKXSAKSA-N 448.570 1.780 30 10 IDEE C#CCSCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1300777910 GVIZTZBTCIBEOS-OAQYLSRUSA-N 449.577 1.764 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300830286 DTSABQAYRFGUFB-KGLIPLIRSA-N 443.346 1.467 30 10 IDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1300946260 VDQHJAKUWXWGRY-UHFFFAOYSA-N 445.549 1.236 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCN2CCOCC2)CC1 1301104915 BPLVWRWCAQGFMC-QGZVFWFLSA-N 440.614 1.403 30 10 IDEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301259050 FQIDPRSYKMMPOQ-MRXNPFEDSA-N 430.484 1.803 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301530029 PCUODMQPZPBHPG-HSZRJFAPSA-N 440.548 1.992 30 10 IDEE CC(C)N(CCCNC(=O)COc1ccc(Br)c(C#N)c1)S(C)(=O)=O 1307405895 HUXFBRXYCGMUEX-UHFFFAOYSA-N 432.340 1.876 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(N4CCCOC4=O)CC3)C2=O)cc1 1312624263 BGZLBNUSYZKXFR-IBGZPJMESA-N 425.489 1.675 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1314886717 VCSMRYJKJFOSAE-INIZCTEOSA-N 430.534 1.212 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc2c(c1)C(=O)NCC2 1316269290 CUFCIRYEKBELCW-BPAFIMBUSA-N 438.532 1.932 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358961470 ZWNABVRZRZEBDH-DOTOQJQBSA-N 430.534 1.177 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](F)COC)CC1 1359046996 NDVXLCMSVIOYLO-SFHVURJKSA-N 431.516 1.090 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1359071795 DGDXAYSRQJZQBS-GAJHUEQPSA-N 436.516 1.858 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1359097028 KGWKOLRGLJIYGY-WIYYLYMNSA-N 440.548 1.925 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](OC)C(F)(F)F 1359239982 CIGKCCNAOZHEPP-STQMWFEESA-N 441.476 1.201 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1359283546 ZMLVSXLLQQTIGX-QAPCUYQASA-N 435.550 1.878 30 10 IDEE CN(CC(=O)N1CCN(c2ccsc2C#N)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1437644657 XYYOUBBNMGTJSG-UHFFFAOYSA-N 449.514 1.497 30 10 IDEE COCCOC1(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCOCC1 1470235576 XXGRGJYAOVTYSB-UHFFFAOYSA-N 430.549 1.988 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nc(Cc3ccccc3F)no2)n1 1471336485 ROYXCTXSQGDKKW-UHFFFAOYSA-N 426.452 1.987 30 10 IDEE CCOC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1502551791 UGOGQYBVZXFLRI-INIZCTEOSA-N 425.493 1.579 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503623839 YECPRCZQQXRGLD-CZIZESTLSA-N 443.552 1.229 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C(C)C)C[C@H]1O 1503881240 LRNXQFLKMDRHSK-JBYIUTFZSA-N 427.505 1.584 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)C1 1505314497 FFDQFOOIPSTPPF-BDJLRTHQSA-N 429.428 1.262 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)c1cc[nH]n1 1507623305 VBYVQOHWGOTTGI-GASCZTMLSA-N 442.524 1.271 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507631645 FSMPGXCTUNWYSY-NCXUSEDFSA-N 436.578 1.350 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCSC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507638394 QGQPEHBQKLQDCB-HZPDHXFCSA-N 426.608 1.973 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1507691057 ZWCAJCMCOMQDDH-MRXNPFEDSA-N 427.571 1.276 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)COC)CC1 1507726170 GPLNNGIHCORSCJ-UHFFFAOYSA-N 430.578 1.697 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1507746318 OXRJWDNPCFFWDK-CQSZACIVSA-N 435.575 1.523 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507765278 LFVTYNCWIXFCJR-LAUBAEHRSA-N 428.562 1.922 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1507982310 MAHLYUQWSIIUMC-KBPBESRZSA-N 426.568 1.493 30 10 IDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1508022705 YNJPVLZSDFFPGY-UHFFFAOYSA-N 434.566 1.258 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2ccco2)C1 1508090946 JKHOXVUCCNJWQT-SFHVURJKSA-N 425.493 1.613 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1508389402 JTARAQUUSBGUHH-UHFFFAOYSA-N 430.534 1.615 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC2(O)CCOCC2)CCOC1 1509808119 YDEVBGTYVAGWSP-QFIPXVFZSA-N 433.553 1.990 30 10 IDEE N#C[C@]1(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CCCOC1 1514541063 NAYMLLBGFOJGCM-HSZRJFAPSA-N 434.500 1.627 30 10 IDEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C(C)(C)C 1517395821 NZDULQCKHLIJED-UHFFFAOYSA-N 448.531 1.981 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C[C@H]1O 1517690492 QXCYJTUNQKUZFA-IXDOHACOSA-N 447.442 1.601 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](OC)C(C)C 1519446915 IAOUOCLCIZSKKY-LEAZDLGRSA-N 432.569 1.850 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 1539126102 RXTFHTZEWYSWJB-SJORKVTESA-N 441.623 1.602 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1539325779 NNPOQDPLWJMKLQ-INIZCTEOSA-N 431.493 1.256 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540874008 RQNPOHGSWQBCJY-HXUWFJFHSA-N 430.597 1.862 30 10 IDEE Cc1nc(-c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CCO[C@H](C#N)C3)cc2)n[nH]1 1542888001 DVYKJIFDBIPLKY-QGZVFWFLSA-N 435.492 1.287 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1542895004 WPXSUQIYUMOFQL-RBUKOAKNSA-N 434.581 1.744 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)cn2)CC1 1543133697 ZKNITTYKVVDIOR-XBXARRHUSA-N 432.477 1.523 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1546856025 FKCSDNPLGLMFKF-DOTOQJQBSA-N 440.504 1.955 30 10 IDEE CS(=O)(=O)NCCCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1555818375 XRFMSOWINGEXFZ-SFHVURJKSA-N 432.550 1.121 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 1564547699 UOMXHUNMBWXMGT-SFHVURJKSA-N 449.471 1.889 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)c3cccc(CN4C(=O)CNC4=O)c3)c2C#N)C1 1586958540 NMMKAHXPTUDNRK-UHFFFAOYSA-N 437.481 1.828 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)CN1CCOCC1 1587970256 SMXIZUJQTAMONN-KRWDZBQOSA-N 445.593 1.276 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1588110204 ZOXLKZILZNXDQA-DEOSSOPVSA-N 437.544 1.880 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1588697030 PFCLPUGQNWPLNV-INIZCTEOSA-N 444.540 1.613 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NCc2ccccc2)CC1 1588800417 FVCYWQOGGWKUHZ-UHFFFAOYSA-N 431.544 1.745 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1593740744 DRMPIRTVKUWQNY-KRWDZBQOSA-N 429.500 1.683 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1594948322 DYZPHZOOVJNVCQ-QAETUUGQSA-N 446.552 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)COC)CC1 1595490461 SCBKAOHMBLAIFR-UHFFFAOYSA-N 432.912 1.196 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602018 DBNAWBXXKWKGOU-ZPMCFJSWSA-N 449.552 1.005 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1 1595789948 FZIPYDJNOVEXBT-SFHVURJKSA-N 448.545 1.518 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595823212 LVOPUKHHOJZLBZ-QFIPXVFZSA-N 443.573 1.381 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1619912349 ACWHGQCXMNWMRG-SJORKVTESA-N 447.565 1.321 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1619988982 UKXZTLGCRLQQIM-NVXWUHKLSA-N 425.555 1.567 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncns2)CC1 1624629622 IRZQDCQNZZGWGY-OAHLLOKOSA-N 448.574 1.484 30 10 IDEE CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1627308745 LFKCNLINSAQHCW-KRWDZBQOSA-N 437.541 1.161 30 10 IDEE COc1cc(Br)ccc1[C@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1629333767 WZVCLKYITAODOB-CQSZACIVSA-N 433.262 1.955 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 1629539745 FUWGWWXXZVRSMB-JOCHJYFZSA-N 442.472 1.941 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 1632228224 MYIHOBJDOABUSI-UHFFFAOYSA-N 431.308 1.514 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1635361301 GWPYMUGJOHFSQE-YLJYHZDGSA-N 426.542 1.721 30 10 IDEE CO[C@@H](CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[C@@H]1CCOC1 1636834783 KQNMCQZQXHVGSK-UZLBHIALSA-N 426.521 1.918 30 10 IDEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C1CCOCC1 1640926004 XRHTYEODTZHXOU-CYBMUJFWSA-N 435.727 1.908 30 10 IDEE C#C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCC 1641574834 SDAUUMPTVVWBFK-INIZCTEOSA-N 432.546 1.274 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)c1 1642578402 XEBXPXFLRBOSCM-UHFFFAOYSA-N 427.529 1.331 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1645726947 LYOWCIZKASPSEG-XCRHUMRWSA-N 435.527 1.248 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1645737540 HBEMJZFKQXQXGJ-UHFFFAOYSA-N 435.502 1.178 30 10 IDEE COC(=O)C1(C2(O)CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)CCC1 1656411151 OGBBAFXAFBHXRC-UHFFFAOYSA-N 437.500 1.853 30 10 IDEE COC(=O)CC1(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)CCOCC1 1669185884 GIKPTASATWWDJJ-UHFFFAOYSA-N 431.308 1.959 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC1 1670184110 ZUWCMOZXLCOAJI-UHFFFAOYSA-N 430.477 1.759 30 10 IDEE N#C[C@@]12CN(C(=O)NC[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)C[C@H]1CS(=O)(=O)C2 1681560179 KKUUSSMZZPGTLS-QAKNJHSXSA-N 435.521 1.479 30 10 IDEE C#CCN(C(=O)NCCCNS(=O)(=O)c1ccccc1Cl)C1CCN(C)CC1 1686271345 WYTXTKSUHHDWPS-UHFFFAOYSA-N 426.970 1.747 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1690122161 IQDVUCCLLHYBAJ-RTBURBONSA-N 427.597 1.495 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2conc2COC)CC1 1690145970 BYFAKERNKWUHBA-KRWDZBQOSA-N 442.520 1.321 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1690235128 XMWZKCBZQIWWQN-GDZNZVCISA-N 443.298 1.953 30 10 IDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690509093 WRBZDLDNKWWKGU-UHFFFAOYSA-N 432.569 1.340 30 10 IDEE C=CCCOCCn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690512475 YXAUWGBDPUVOJK-CALCHBBNSA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 1690671040 NXGIPJCOVKWECU-INIZCTEOSA-N 447.536 1.791 30 10 IDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1690742200 JQZHMDUAQRAVLZ-UHFFFAOYSA-N 425.518 1.792 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)CN2CCOCC2)CCOC1 1690996281 YVAMBQYSUXLKKY-XQBPLPMBSA-N 434.585 1.883 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(C)COCCO1 1694117423 KRFVDTVMPSWULQ-ZHRRBRCNSA-N 442.568 1.837 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(COC)cc2)CCOC1 1696083678 AMZIGIJIAVNNTN-UGKGYDQZSA-N 427.505 1.854 30 10 IDEE CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1696586323 AQHVRZFJODAUGB-SFHVURJKSA-N 437.504 1.052 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705535208 FALCBLZCSWZRHO-GOSISDBHSA-N 436.516 1.764 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705563890 HOWJVBUHQLUPQO-ZWKOTPCHSA-N 430.530 1.296 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1705589610 UADJRLUQNQSRGB-KRWDZBQOSA-N 429.546 1.546 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(=O)N(C)C)c1 1705617357 RJCZUWQRKXPIIU-UHFFFAOYSA-N 438.532 1.375 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCCCC2)CC1 1705647157 BMRYBVNMVJTIIF-UHFFFAOYSA-N 438.580 1.520 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705647830 MFTJYFDXOKRCJY-RBUKOAKNSA-N 438.532 1.154 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N(C)C(C)=O)CC1 1705898368 JKSFJDSBUCHGJR-UHFFFAOYSA-N 431.928 1.743 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccc(O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908224 LCZFSOBSODSDTI-HSZRJFAPSA-N 441.532 1.889 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCOC2)C1 1705920844 FYUPEOSVFQIWAY-JTSKRJEESA-N 430.505 1.895 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCOC2)C1 1705920845 FYUPEOSVFQIWAY-VGOFRKELSA-N 430.505 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1705938782 JEHSERPXSCXDGT-IBGZPJMESA-N 428.555 1.146 30 10 IDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cs1 1707744741 BYLBBXYPNPPRKY-DZGCQCFKSA-N 437.595 1.511 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1710326968 HLRXOCDBSLHHMG-KKSFZXQISA-N 425.468 1.469 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1712883681 WCJUGXBOKFLAAL-GOSISDBHSA-N 437.504 1.133 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)CC1 1722315060 UIQJFVAFRLXCDA-UHFFFAOYSA-N 443.577 1.710 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722433579 AQRXXELQWBXCDU-AZUAARDMSA-N 440.504 1.660 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1722724835 HRZZJSIHNNSCRI-INIZCTEOSA-N 449.581 1.518 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722727432 ILVRMNINFNCTJD-MRXNPFEDSA-N 432.612 1.481 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1722732592 NJGVPWLBPCVURI-MAUKXSAKSA-N 429.612 1.814 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1722980420 JXYNJLNGJUYPPZ-PMPSAXMXSA-N 445.524 1.357 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1 1723815877 BUPKOFYNECYHJQ-VYDXJSESSA-N 434.522 1.085 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1724010679 SJJYTKGRENABOS-GJZGRUSLSA-N 434.566 1.225 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCCCCO 1726645418 OWGPUZWNMZDUEE-IRXDYDNUSA-N 426.525 1.321 30 10 IDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1730357193 GTIVJUGCHOZPLT-YLFCFFPRSA-N 440.570 1.022 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1740620882 HDAOFJRCMKYEDR-VQTJNVASSA-N 444.605 1.943 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740685572 OFFFOEIYIFSYJR-DLBZAZTESA-N 445.486 1.521 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCOC)CC1 1740700487 BFYSXRDUQCWYOY-UHFFFAOYSA-N 439.520 1.318 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1740730937 LPYSSVRVXQLRSI-WOIUINJBSA-N 449.621 1.529 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740746294 HSGCLCSEHQICFR-CQSZACIVSA-N 437.386 1.928 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O 1740758391 XBTAHPJVAFLJBB-UXLLHSPISA-N 425.555 1.081 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1740918050 JWLGHEPMTJGVMZ-DENIHFKCSA-N 446.573 1.914 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1741003263 QIHMRMOCBQEKSU-TWMKSMIVSA-N 441.623 1.765 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1741724046 OJUUBCNOYYKWQS-QZTJIDSGSA-N 429.518 1.195 30 10 IDEE Cc1cccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742314821 AIPGDSAJPBKETK-YGCDDZCOSA-N 437.504 1.648 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)Br)CCOC1 1746733443 HNHOZHZUZOERMF-BXUZGUMPSA-N 436.257 1.647 30 10 IDEE CN(C)C(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCCC1 1747523218 ACPUSOAIGMLPRF-QGZVFWFLSA-N 448.593 1.569 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1748824120 JHNNUOPLUCKAPJ-VQIMIIECSA-N 446.529 1.519 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749119926 YLPQTGYGAYCVFB-MTSZKFMLSA-N 427.571 1.077 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1750149967 RGQARIRRXHBSPI-MZGQBZNISA-N 430.509 1.517 30 10 IDEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CC1 1751241345 GAQWLMRUQBGWFV-OAQYLSRUSA-N 444.561 1.449 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760129632 UDWPDYYPABPAHU-IBGZPJMESA-N 443.596 1.353 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1760216636 VNCFGHCJBSHHKO-MRXNPFEDSA-N 443.529 1.294 30 10 IDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1760509593 RMGRNJRDIWUTMB-UHFFFAOYSA-N 429.481 1.571 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1760551805 SETCSRGRBOPMMM-QGZVFWFLSA-N 428.518 1.132 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOCc1ccccc1 1761477449 DZWODFARSWCCRN-MRXNPFEDSA-N 432.550 1.845 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1764552919 BDODGXHOQKYOEI-FUHWJXTLSA-N 445.545 1.583 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1769503924 VTDQBOCJMCQJMY-JSJMYKNQSA-N 444.536 1.702 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1769697276 FSTODDRBRLLHHT-CQSZACIVSA-N 435.435 1.295 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2C[C@H](F)C2)C1 1770350021 SJMMEMXRLVISFM-ULQDDVLXSA-N 440.545 1.489 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1771030794 ZUGJKZAKBMCDKE-UHFFFAOYSA-N 449.515 1.812 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1771538149 DSCPVETTWLGHNC-OAQYLSRUSA-N 440.529 1.496 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1772566476 QSDNIDKNCAZODI-AWEZNQCLSA-N 432.550 1.693 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@H]4CN(S(C)(=O)=O)C[C@H]43)n[nH]2)c1C 1849760998 IMVBGOCSCFDTJS-MAUKXSAKSA-N 432.550 1.572 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCO[C@H](C#N)C2)c1 1851064971 MSRBCHPEFVUZTP-UXHICEINSA-N 427.526 1.944 30 10 IDEE CN1C=N[C@@H](C(=O)O[C@@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)C1 1851918702 VZTDZFKBRVQMNY-PKOBYXMFSA-N 427.482 1.665 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2C[C@@H]2C(=O)N2CCc3ccccc32)CC1 1851938833 ZJELFFRYCLZSRL-SFTDATJTSA-N 445.523 1.844 30 10 IDEE COc1cc(OC)c(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)cn1 1852305583 BYYMZAUBKRBLME-SFHVURJKSA-N 427.457 1.907 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)N3CCC[C@@H]3C(=O)N3CCN(c4ccccn4)CC3)cnc21 1852827759 MSAFFLCZEHJLHY-HXUWFJFHSA-N 443.511 1.793 30 10 IDEE CC(C)N([C@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1854047099 AGWMYTLGNIJJSD-UXHICEINSA-N 431.558 1.906 30 10 IDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)c(C)c2)C1=O 1863790614 JFFCVRJAVZQLGV-UHFFFAOYSA-N 443.500 1.880 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCCN(C)C 1870584505 XCEQATHTFVFCRC-UHFFFAOYSA-N 432.565 1.212 30 10 IDEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CN1CCN(CCO)CC1 1870633888 KGGKZAFEHLBJES-UHFFFAOYSA-N 427.545 1.992 30 10 IDEE C=CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562130 OLYGUXBGSSTIMV-ROUUACIJSA-N 426.565 1.850 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1892108151 IAXCBJZVQRGVTP-INIZCTEOSA-N 435.440 1.219 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC(=NO)C1 2108230471 ZCJBYWXJENWWMJ-ORAYPTAESA-N 425.482 1.951 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)nn1 2124523701 JNMBCFFUUIZAES-HUUCEWRRSA-N 447.345 1.853 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247927338 HHQQVQGPRUWSSY-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)NCCNOCc3ccccc3)c2)OC1(C)C 2247951060 HDDZZUXSDRLKBD-UHFFFAOYSA-N 433.339 1.381 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2248401209 GOQUXKMWTXRRDV-LBPRGKRZSA-N 441.721 1.858 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2248405420 UIRQZVAUCDWLNU-LBPRGKRZSA-N 441.721 1.858 30 10 IDEE Cn1nc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2255622922 HDJYJZQWNFFYDA-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2255679780 NUTLWZGQERMEHN-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255829703 UCFQPDRQBLDEMW-IPYPFGDCSA-N 432.330 1.694 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255844541 YGBKSLUECAYOGB-NSHDSACASA-N 447.288 1.973 30 10 IDEE Cc1nn(C)c(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2267138095 VTGRNYHUULPDAW-GOSISDBHSA-N 444.263 1.311 30 10 IDEE Cn1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267536049 GGFUISKXRASEMA-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2269057206 HZWHFRQWPFXHEN-INIZCTEOSA-N 441.293 1.566 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C 2315605682 BLCFGZALXITNLS-UHFFFAOYSA-N 444.288 1.609 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)CO[C@H]1C2 2334265320 DAQJESJZRMQJDQ-PONJGIIJSA-N 447.341 1.868 30 10 IDEE CC#CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)C(C)(C)C 33903434 QIPZFAJEWGKKJV-KRWDZBQOSA-N 442.578 1.259 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(Br)cc2)n(C)c1=O 433019670 KQZZUHONXPRQGV-UHFFFAOYSA-N 429.299 1.329 30 10 IDEE CC(C)[C@@H](NC1CCOCC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 438870037 VBFFOFRDTNEHBZ-HXUWFJFHSA-N 434.562 1.184 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cn1 462085777 BQVJZHYEGVTUAH-SFHVURJKSA-N 443.533 1.997 30 10 IDEE C[C@H]1[C@H](C(F)(F)F)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 470956845 DXVDMDQLOZJCQT-GOEBONIOSA-N 444.479 1.664 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(CCC)c2)c(=O)n1C[C@@H]1CCCO1 478866657 HSLYHXFDYUCZIO-IBGZPJMESA-N 437.565 1.847 30 10 IDEE CCn1nccc1CN(CCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 482912697 AFCUUPUCPYEEGR-OAQYLSRUSA-N 428.512 1.245 30 10 IDEE CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491763286 SNNFNTYCVOLWAQ-UHFFFAOYSA-N 442.566 1.504 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 507779254 OBWPFICKXNQLIJ-INIZCTEOSA-N 437.338 1.902 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCOC)[C@H](C)C1 508890156 WCBKAOYDGAXTRF-GOSISDBHSA-N 426.569 1.795 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 508912081 KDSBTSLISAMGFH-IAGOWNOFSA-N 435.554 1.143 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(Cc2ccccc2)c1=O 533579557 SYRIUNUVDDGYSP-UHFFFAOYSA-N 447.564 1.736 30 10 IDEE COc1cccc(-c2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)n(C)n2)c1 535699075 MZGJUZMCSWZLHC-UHFFFAOYSA-N 445.483 1.650 30 10 IDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cccc(O)c1 545386796 BNJYCIPCORDJOL-IRLDBZIGSA-N 440.475 1.744 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 555243255 MQSKBZVNGLKYTF-KRWDZBQOSA-N 437.548 1.925 30 10 IDEE CNC(=O)Cc1nc(Cn2cc(I)c(C)c(C#N)c2=O)cs1 583876890 LINSUPOWXJMFLO-UHFFFAOYSA-N 428.255 1.426 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604001789 ROJASERIEYBJHG-UHFFFAOYSA-N 427.489 1.291 30 10 IDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 619209549 JHSHOKBRWDZNQX-UHFFFAOYSA-N 425.514 1.763 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)cs1 655713609 MAKVSKULELEXTI-UHFFFAOYSA-N 446.598 1.125 30 10 IDEE C#CCN(C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 729332991 HKAMJIZNFBFBTI-FQEVSTJZSA-N 431.558 1.599 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 731289614 JAVSOTDITNYBCC-SFHVURJKSA-N 425.507 1.014 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCN1C1CC1 732706502 OMCWKGMHJQPMRE-GOSISDBHSA-N 427.530 1.013 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 734294094 CDICVZFDBVJBDF-LRTDBIEQSA-N 446.529 1.808 30 10 IDEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(C#N)cc1 740238327 MGRZSZFFDHYDQV-QGZVFWFLSA-N 449.510 1.695 30 10 IDEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ncn(C)n2)C1=O 768422992 WDBGGRZIIBZCGL-INIZCTEOSA-N 447.540 1.544 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N(C)C(C)(C)C#N)C1=O 771440916 RNOFBGKMJUDCOU-NRFANRHFSA-N 430.461 1.074 30 10 IDEE O=C(C#Cc1ccccc1)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 773460546 ODPVYLKVNLDHDP-QGOAFFKASA-N 438.505 1.726 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1C#N 787742180 ZSGJHORXKQXKBS-NRFANRHFSA-N 435.528 1.288 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(c3cc(OC)ncn3)CC2)CCCN1C(=O)OC(C)(C)C 809764713 HDCONIIVUMIKDL-JOCHJYFZSA-N 429.521 1.927 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCc4ccccc43)n2CCOC)CC1 812066022 PALFOUSFSCYWFK-UHFFFAOYSA-N 436.560 1.843 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCCF)C1=O 812220955 AXGBOCFFVHFBGE-LQFHHUIYSA-N 430.527 1.020 30 10 IDEE CS(=O)(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914551333 AQQOTJCQBJKQTH-OAHLLOKOSA-N 442.538 1.365 30 10 IDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C2=O 916775188 JOOSYSSRLRWYNS-SZNDQCEHSA-N 446.529 1.641 30 10 IDEE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775472 BXHGKWJPFHJMGJ-UHFFFAOYSA-N 432.849 1.456 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)c1 1084533735 RSVWIOQUKHRAPY-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE Cn1c(=O)ccn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1=O 1134620287 DQKVQFMMMMIUQI-OCAPTIKFSA-N 435.271 1.176 30 10 IDEE Cc1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)cc1B1OC(C)(C)C(C)(C)O1 1154157782 HVGDGRNVBSOERR-FZYZMVIOSA-N 443.378 1.974 30 10 IDEE Cc1cc(O)nc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)n1 1155609383 DLQMOIHCOCUGOQ-OAHLLOKOSA-N 440.891 1.717 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1179657047 ZVVSYLRHLIXTCK-WDUKFBBWSA-N 431.514 1.922 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1196779025 PYIOARYSRPYAHE-UHFFFAOYSA-N 437.518 1.098 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3nccc(C)n3)cc2)CC1 1215810731 IACJCHIMOJZGSG-UHFFFAOYSA-N 430.490 1.194 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@H]4C3)cc2C1=O 1272586312 JJQSVGBGGFNBEU-UONOGXRCSA-N 435.402 1.951 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)OC)c1 1286307847 BHDWIDMZMDYGCS-GOSISDBHSA-N 426.521 1.898 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286388448 PERRIJPOCCPETI-MSOLQXFVSA-N 448.545 1.669 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286390106 XEKXCMKFJANJNK-MJGOQNOKSA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1286395428 RDIHCIBEMITLHE-GOSISDBHSA-N 445.589 1.723 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)NC1CC1 1286425002 UKVHXEBUGAPGTE-UHFFFAOYSA-N 443.515 1.443 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1286429782 KCYWOMQFHWMWEI-IBGZPJMESA-N 436.491 1.190 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC2(C)C)CC1 1286487835 YTBULVXZWUTARL-KRWDZBQOSA-N 435.532 1.937 30 10 IDEE C=C(Cl)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635054 INAAQDOLJSLLSC-SFHVURJKSA-N 447.989 1.543 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1286706313 MFJOGKDYSZCBCY-MRXNPFEDSA-N 428.603 1.402 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1286767803 GSNXKDADQDOXIZ-PMERELPUSA-N 435.550 1.946 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1286792581 CJJPBTULUZEWAO-KRWDZBQOSA-N 428.537 1.698 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1287821798 CAQPQNCBFVJLQE-NVXWUHKLSA-N 433.534 1.944 30 10 IDEE CC(C)N1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1287992474 BZLHYOQTMSXPAL-XUTLUUPISA-N 427.553 1.993 30 10 IDEE C[C@@H]1CCc2nc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)c(C#N)cc2C1 1289755554 AMMRVOLQYBGLKH-IUODEOHRSA-N 429.502 1.182 30 10 IDEE Cc1ccccc1-c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290114398 XYJJYUUGSWUTOU-TVNSMHFRSA-N 449.515 1.482 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1290978170 GHHSGICNBBXUIL-CQSZACIVSA-N 428.518 1.061 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1299006748 MOHYTABXQTWYLL-QZJMSCLXSA-N 429.525 1.064 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300484480 PUPCNVKVYVWAQD-OAHLLOKOSA-N 425.555 1.553 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300491750 IMZFCUNEWYJZSW-GOSISDBHSA-N 446.577 1.512 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1300665066 XCAAUYJRNIUNIX-HXUWFJFHSA-N 449.559 1.618 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccccc2F)CC1 1300703607 MMEBSAZWWWWNAC-UHFFFAOYSA-N 447.518 1.588 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCCNS(C)(=O)=O 1300815695 AURDQWAGLYESJS-OAQYLSRUSA-N 447.561 1.797 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cncn3)nc2)C1 1301535751 OCYFDTASTSMEHE-QGZVFWFLSA-N 437.508 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C)[C@@H]1C 1301596513 QMKABBIEZAANNT-YVSFHVDLSA-N 444.623 1.933 30 10 IDEE CC(C)(C)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1302203049 NGOVTKQRMYRGSF-VXPUYCOJSA-N 427.553 1.678 30 10 IDEE CS(=O)(=O)CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1)C1CC1 1302457203 PHYBAFDVSBMLON-UHFFFAOYSA-N 426.502 1.790 30 10 IDEE CC(C)NC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1303443556 AELLNNZIBNGZFI-HXUWFJFHSA-N 447.902 1.828 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1305590325 DVSRAGIWPZBWSV-UZYOAWRESA-N 429.477 1.407 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c(OC)n1 1315497355 GDMTUJCEOXDYQU-BTYIYWSLSA-N 425.493 1.820 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1315722342 AIDGBYZYPNFYLD-YWLSANHYSA-N 444.536 1.560 30 10 IDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1315921244 CUTGCPFZSZMLSM-SFHVURJKSA-N 427.505 1.743 30 10 IDEE CSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316470769 CGJBUQFPTIMRTL-MRXNPFEDSA-N 426.550 1.855 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(CN3CCN(C)CC3)c2)n1 1326733021 ADUIMCYDGRFWJZ-UHFFFAOYSA-N 438.576 1.622 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1355595207 IZRBPPIMLMDBMU-QUSNUVHPSA-N 430.505 1.497 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1358967555 MYKDKHWSVJVKRW-HNNXBMFYSA-N 434.493 1.148 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@](C)=O)CC2)CC1 1359031909 UDDGUECRWWASOE-PMERELPUSA-N 428.518 1.520 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1359037802 XYFJUCLYIZYIIK-UHFFFAOYSA-N 430.516 1.421 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359047191 VVIGJRGJNRDTHR-HSZRJFAPSA-N 426.565 1.455 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359095528 PGJLNPJWTZNACZ-WIYYLYMNSA-N 439.564 1.532 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(N)=O)cc2)C1 1359325176 ZPYUPEQCNLURIX-GOSISDBHSA-N 439.520 1.721 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1439611154 MTPQHIHVHRSZSA-ZBEGNZNMSA-N 425.392 1.296 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)n1 1448863337 VFQYYNJNPFISDD-AVRDEDQJSA-N 434.537 1.906 30 10 IDEE C#CCN(C(=O)c1cc(Br)nc(Br)c1)[C@H]1CCS(=O)(=O)C1 1456080462 CRFDMRDXKDMZIA-JTQLQIEISA-N 436.125 1.869 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1463598952 ZUUAKUCMWHGQDK-UHFFFAOYSA-N 435.546 1.643 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CC[C@@H](O)C2)CC1 1470287376 XFBOLKYUHCEBCD-GOSISDBHSA-N 448.589 1.343 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)OC(C)(C)C)[C@H]2C1 1478284677 NAWSTGKYUWPEHB-YVSFHVDLSA-N 427.567 1.874 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1496839958 FVJVWTUZRZQGQE-QFIPXVFZSA-N 448.591 1.664 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1502471500 BCTLXTRWAGZQAZ-MRXNPFEDSA-N 427.490 1.371 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1503477800 QTFFUKOXTPOZOM-SFHVURJKSA-N 430.472 1.836 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1507537710 IZWKBRXHZPPICV-MPGHIAIKSA-N 427.596 1.355 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1507630524 BCFOIWMRKTYZNU-HUUCEWRRSA-N 449.533 1.058 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCCn1cnnn1 1508005919 BSHNMYLCKKGCSX-UHFFFAOYSA-N 427.538 1.845 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1508087835 FCANRGDPBOJQBE-QZTJIDSGSA-N 428.541 1.524 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)NCCC)C1 1508120100 YWVOQMLHNLYTNH-KRWDZBQOSA-N 447.561 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)[C@@H]1CC 1508135772 LPTGMNNOXHOMQO-KRWDZBQOSA-N 428.518 1.132 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1(O)CCOCC1 1509000592 GUPRZTZMTNXTEA-KRWDZBQOSA-N 440.552 1.710 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3(C)COCCO3)CC2)c1C#N 1511667485 XNPDWOHAMXOCLM-JOCHJYFZSA-N 442.568 1.621 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1512372021 WSZQJYCDBORFPX-CECAUBDESA-N 440.552 1.913 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)CCOC1 1516180454 CNNHOJDWFMFYQX-VXKWHMMOSA-N 442.495 1.714 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1516806285 RPOAQQYOUMUKMS-FQEVSTJZSA-N 431.518 1.247 30 10 IDEE CN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1517173502 LKIFEODGHBSPAF-HMWBCQRISA-N 441.517 1.454 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1519400958 DITZDRAAVFJJJJ-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CCN1C1CC1 1521128539 DOISZXCAFPSVDS-KGLIPLIRSA-N 443.499 1.701 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1521129837 OROCWXCDZWUMTC-ARFHVFGLSA-N 444.458 1.164 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)C2)nc1 1527485047 NPSXNWOAACKRBV-ZBFHGGJFSA-N 432.527 1.534 30 10 IDEE C#C[C@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccc(Br)cc1 1528498442 WAOCZFRXPNMIBG-AWEZNQCLSA-N 427.258 1.499 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C#N)cn1CCOC 1533737747 BQVZISXDZWXBDJ-GASCZTMLSA-N 428.445 1.073 30 10 IDEE N#C[C@@]12CN(C(=O)Cc3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1538308340 AWUGQYVDVGRBLO-WFASDCNBSA-N 430.267 1.230 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1538963743 STCNLZFTPCMUOY-MRXNPFEDSA-N 444.561 1.271 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1539011641 CNZRQYARCYIRLG-APWZRJJASA-N 447.561 1.516 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1539012770 GIPWNGMHZFQDOC-BBWFWOEESA-N 432.550 1.039 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccnc(C)n2)CC1 1539142907 YQZQVOUTLGNOOF-ICSRJNTNSA-N 425.537 1.841 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539211932 LWEONNFOFFGIER-OHZJNBGDSA-N 436.559 1.384 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539222923 YPRHYFPEPCWQTF-KKUMJFAQSA-N 441.504 1.291 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539230782 KERQGIYITVSOMV-JKSUJKDBSA-N 437.566 1.061 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539231270 UKGQINDGAIOTQW-LJQANCHMSA-N 430.574 1.851 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(OC)C2CC2)CC1 1539463392 ZXIHCDYFEZTMOH-QHCPKHFHSA-N 442.564 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCCC2(C)C)CC1 1539477798 ZDLIGQJQOXRJEP-GAJHUEQPSA-N 442.564 1.136 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1539547945 AJHYNHVEXLFICN-OAQYLSRUSA-N 444.557 1.886 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1540870183 GOTNQUWIYABROI-KRWDZBQOSA-N 444.540 1.226 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC)C2)C1 1540883690 CVWLNFGGPUAHGT-IXDOHACOSA-N 426.587 1.011 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540901084 RXTRDQYHSLUNJT-MRXNPFEDSA-N 432.550 1.436 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1541111191 GSQXGYNTOZKVTB-YSVRNHBLSA-N 439.545 1.699 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1541733840 WQWUVPAGBGVHKA-RLFYNMQTSA-N 427.452 1.472 30 10 IDEE CC[C@H](O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)nn1 1542096626 RWZLCYCIQZQAKQ-CULCSUMMSA-N 448.549 1.894 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCn4ncc(I)c43)CC2=O)cc1 1542534810 YNYIEZJGSVBGSB-LBPRGKRZSA-N 447.236 1.759 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555806371 DJRYQSVASKHHLH-INIZCTEOSA-N 448.524 1.164 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555806687 JTFAHQPVPDZCTQ-RTBURBONSA-N 445.545 1.666 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1=O 1556749397 FXEZVQOVDLDCEK-DYVFJYSZSA-N 427.436 1.218 30 10 IDEE CN(C)C(=O)CC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1567440905 GASKWAGQHRPFPP-SFHVURJKSA-N 425.489 1.480 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCS(=O)(=O)NC)c1 1587684287 VKIODYIWQLENAI-HNNXBMFYSA-N 432.550 1.397 30 10 IDEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1587835328 RUGNOXYLQBDJFU-IBGZPJMESA-N 427.505 1.717 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1588034401 FMSBWPZZUVVBJY-MIALQEHNSA-N 440.541 1.476 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588044960 DJEWLSHGCOPSNR-YQVWRLOYSA-N 431.562 1.725 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1588053852 INCNNLWWPKXQSP-ROUUACIJSA-N 446.577 1.197 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 1588198819 ABEKHPXFEQSJJI-INIZCTEOSA-N 448.372 1.665 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1588218725 AXQQXGMUPCZEOY-WAIKUNEKSA-N 432.484 1.597 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccccc1F 1588628483 JSJBLTYMEKRAOH-UHFFFAOYSA-N 425.468 1.334 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1588659483 JUAMFWAEQGEJHV-UHFFFAOYSA-N 439.541 1.802 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1594625270 GBUWRHXJKGQNHI-QZTJIDSGSA-N 425.599 1.693 30 10 IDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1595070579 FHMJILMPZVDODG-JQHSSLGASA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C[C@@H]1CCCO1 1595536737 GISOQMHQFBCFRK-RDJZCZTQSA-N 444.561 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 1595778082 VYVCBTUHFDFRBE-AWEZNQCLSA-N 437.953 1.901 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595878566 QGLWLHFQCOLJGZ-KRWDZBQOSA-N 448.593 1.366 30 10 IDEE CC(C)(C)c1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597168398 MCWJOBXEQQRRTI-ISLYRVAYSA-N 444.536 1.488 30 10 IDEE CN(c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1617738429 KFBYJILEGHUMCC-STGLLQLASA-N 425.518 1.808 30 10 IDEE COCCN(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619878204 DMLCOSKKUSGLOZ-GOSISDBHSA-N 444.971 1.748 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)C1 1625522923 DGAZPEDWHSTTIL-SIRSKZSMSA-N 440.566 1.313 30 10 IDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C(=O)OC 1629617663 WODXNMQATNDUAR-KRWDZBQOSA-N 444.465 1.189 30 10 IDEE 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CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@@H]3CSC[C@H]3O)C(=O)[C@@]12C 2297591710 ZLCUAISAQVPXBL-GHIWOLQHSA-N 445.493 1.635 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)OC1 2300256064 LDHPPJLDXVJLTM-GFCCVEGCSA-N 425.345 1.983 30 10 IDEE C[C@H](C#CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)NC(=O)OC(C)(C)C 2302385101 JEYLENYHZPOCJM-RBSFLKMASA-N 439.509 1.872 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2312854165 WQGPQRJVUFIAPV-YUELXQCFSA-N 432.330 1.837 30 10 IDEE Cn1ncc(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2312859682 AOXJVHKOMZQSSO-YUELXQCFSA-N 432.330 1.457 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CO[C@@H]1C2 2334270371 FUBDVHUIVPNABG-LKBUQDJMSA-N 448.329 1.263 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)n1C 2337397614 FBBGJCVZEAYABW-ROUUACIJSA-N 436.365 1.888 30 10 IDEE NCC#Cc1cc(Cl)sc1CNS(=O)(=O)N1CC(OCc2ccccc2)C1 2369889673 PKEMDZFMDVIJEA-UHFFFAOYSA-N 425.963 1.947 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)cc2C1=O 31493485 NVOLRUJKZFEROD-UHFFFAOYSA-N 438.528 1.629 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)n2c(N)nnc2SCC(=O)OC)nc1C 32535720 PBCSYQIIJHQOTD-VIFPVBQESA-N 440.507 1.433 30 10 IDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 409552769 MTBSKXNMUVGOCO-CQSZACIVSA-N 447.483 1.598 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCC3CCN(CC(=O)NC(C)(C)C)CC3)cc2C1=O 431561729 TUZNCUGIJDQLLD-UHFFFAOYSA-N 440.544 1.825 30 10 IDEE CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446525746 ATVQQQDBONWHTK-UHFFFAOYSA-N 430.505 1.655 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)n1 479390566 WSYCCGDGNVFOKB-SFHVURJKSA-N 447.516 1.878 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3Cc4ccccc4C[C@H]3C(N)=O)C2=O)cc1 505334965 GZEVLQUOWWTEBL-OALUTQOASA-N 431.452 1.202 30 10 IDEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 507420470 ATGJHFFQZNGKAG-ROUUACIJSA-N 445.545 1.860 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 513791437 OTCOHCNYQYYSRP-UHFFFAOYSA-N 430.505 1.727 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)c1 515726926 XYPNMZWZURDWIK-UHFFFAOYSA-N 429.542 1.913 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cccc(OC)c3)c2=O)cn1 523864043 IMCZWBSRMTWGQL-UHFFFAOYSA-N 434.521 1.996 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCc2ccc(C#N)cc2)CC3)CC1 549704461 NVBWBJPJXFBQDU-FQEVSTJZSA-N 434.544 1.454 30 10 IDEE COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 559152512 JVJPJGPLSMBQJH-KRWDZBQOSA-N 444.557 1.050 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C1CC1 570094657 KKGHXHBMFHGJEF-UHFFFAOYSA-N 444.438 1.917 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCOC2)CC1 576762581 IOIACXYNGMTFBL-UZLBHIALSA-N 442.495 1.740 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 603798373 KTBLWSHINVBYMO-INIZCTEOSA-N 429.929 1.524 30 10 IDEE C[C@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cn2)C[C@H](C)O1 610194888 RHDFOVYHEQAAED-STQMWFEESA-N 437.909 1.845 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3cnccc23)c1=O 611915986 BCZPDIDAJLWFQJ-UHFFFAOYSA-N 448.548 1.666 30 10 IDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 619780038 ALHCTGNJJZKTQY-BBWFWOEESA-N 437.949 1.938 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)Nc3ccccc3)sc(=Cc3ccoc3)c2=O)cn1 727417427 FCVRHLILRWIENJ-UHFFFAOYSA-N 431.477 1.850 30 10 IDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732650597 YVNZHPDHZQVOLX-RDPSFJRHSA-N 431.496 1.806 30 10 IDEE COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 734814678 FNDBYKHNOXOCHY-KDDVOAFDSA-N 444.488 1.904 30 10 IDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)c1ccc(C#N)cc1 740236902 RWNVMJOTHYWGNT-IBGZPJMESA-N 430.438 1.324 30 10 IDEE CC(C)OCCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 748147529 DFYCBFFUXYREHO-LBPRGKRZSA-N 443.547 1.323 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@@]2(C)CCCO2)C1=O 756084367 MHUDCMGAOASEEG-XEKWNIKBSA-N 447.605 1.561 30 10 IDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC[C@H]2CCCO2)c1 757684950 HUDYRZLSXBYYIQ-SGRLSNSRSA-N 428.489 1.878 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)OCC[C@H]4C3)CC2)cc1 764480498 SMXAMFGGMGDBRG-KRWDZBQOSA-N 432.502 1.012 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCSC[C@@H]2CCO)cc1 768969809 PMEFRGPKSAWLLN-IENXAOORSA-N 426.564 1.831 30 10 IDEE CCOC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 769744099 GWDCTNDJLTYWON-GDBMZVCRSA-N 429.502 1.857 30 10 IDEE O=C(Cn1c(O)nc2ccccc2c1=O)OCCC#Cc1ccc(CN2CCOCC2)cc1 770857988 GXGROSAFAQPZSA-UHFFFAOYSA-N 447.491 1.919 30 10 IDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cnc3c(C)cccn3c2=O)cc1OC 773772430 VUXYTUAAOJMDRU-MRXNPFEDSA-N 434.452 1.702 30 10 IDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 774147419 IHBAXDCYQGCEAF-QGZVFWFLSA-N 441.575 1.049 30 10 IDEE N#CC1(NC(=O)COC(=O)CCN2C(=O)COc3cc(Br)ccc32)CCC1 784205116 GIXKZRKIIWCBJU-UHFFFAOYSA-N 436.262 1.670 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnn(CC(F)(F)F)c3)CC2)o1 787854190 JYOLRQXGGJLDIG-UHFFFAOYSA-N 426.355 1.119 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cc1C#N 804082106 TXVQYRCGCQLKCF-UHFFFAOYSA-N 449.511 1.038 30 10 IDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134429050 MIDBTYDDDNNQNW-SXTKRDDTSA-N 429.542 1.383 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)cc1 1135508805 ASESWEQEMDKSKR-UHFFFAOYSA-N 431.493 1.101 30 10 IDEE Cc1c(C#N)c(NC(=O)CNC(CO)(CO)C(F)(F)F)n(Cc2ccc(F)cc2)c1C 1196285803 SZTKJSUNZVZMSH-UHFFFAOYSA-N 442.413 1.978 30 10 IDEE CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCN(CC(F)(F)F)C1 1196528029 ZQTXQHIWQCFYEW-HNNXBMFYSA-N 428.459 1.462 30 10 IDEE CNC(=O)[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)Cc1ccc(F)cc1C 1230371133 WGECXXVNTXYDLE-IBGZPJMESA-N 438.507 1.837 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1233850698 CTOKLBMSPIFSSR-QFSBIZTOSA-N 433.431 1.455 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1264131838 FMRJSOWTOUQZRL-GOSISDBHSA-N 439.534 1.516 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 1264635108 WKBZKGXYGKBXGI-SEVHFHESSA-N 439.559 1.794 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286387236 BRZUZYHFQDQYFB-MRXNPFEDSA-N 446.529 1.114 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 1286397830 UZPUWSIHTZRWHX-OAHLLOKOSA-N 434.547 1.199 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1286405047 ZWDXXHOXDLAMTI-IBGZPJMESA-N 436.896 1.360 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286442557 DYOZEJARQXSVDB-HSZRJFAPSA-N 435.532 1.201 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2ccco2)CC1 1286473625 VFPKMODRMUXWQT-DHIUTWEWSA-N 443.548 1.575 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286825109 LWLBYOGZZNWBTE-SJORKVTESA-N 436.538 1.042 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1288170695 RRZPUFJUONUTBR-OAQYLSRUSA-N 438.492 1.415 30 10 IDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1=O 1298880151 ZCZRCHQFLUWMQU-HSZRJFAPSA-N 446.515 1.676 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)C1 1300020421 IDKOJDKGPIYDPL-FXAWDEMLSA-N 437.475 1.408 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1300482695 GPFXQDWROITMGQ-SJORKVTESA-N 430.530 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1300544671 BHOBLCMTHAMLDO-LJQANCHMSA-N 426.542 1.981 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1300762609 KOSVWEPGIZZCLV-INIZCTEOSA-N 448.570 1.912 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1301346717 JCRYLFTYWIITAI-UTKZUKDTSA-N 449.577 1.886 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1301422869 ZXRADALXABSHOL-UHFFFAOYSA-N 446.552 1.755 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 1301477541 BSOXGCOKTLOTAS-UHFFFAOYSA-N 431.585 1.419 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1301515234 SBGRNGJZKCGGTG-UHFFFAOYSA-N 448.911 1.701 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(O)c(Cl)c3)CC2)cc1 1301963718 MMQQFCHEIOXKCS-UHFFFAOYSA-N 447.944 1.915 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1302054806 VBWXTKSLAWNCCJ-PGRDOPGGSA-N 434.585 1.979 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 1303315275 XFMDGKPZZMWYAN-MLGOLLRUSA-N 431.474 1.086 30 10 IDEE N#C[C@@]12CN(C(=O)C3(c4cccc(Br)c4)CC(=O)C3)C[C@H]1CS(=O)(=O)C2 1304001662 FMLDZZMETNINED-GUYCJALGSA-N 437.315 1.447 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1306418913 YGKSUILIIQQSAY-JUQVVLDHSA-N 437.504 1.870 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1)OC 1315798833 IFPWYTGZEFQZJV-HXUWFJFHSA-N 436.520 1.986 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CC2(C#N)CCOCC2)CC1 1355777455 ZJCCRVHGIGKPEE-UHFFFAOYSA-N 441.937 1.892 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358965013 MCYUNPAGGTZYJS-SJORKVTESA-N 437.591 1.686 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358992072 YTDZPQBETBRSFA-OALUTQOASA-N 447.522 1.544 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCOCC1 1359013365 VTWRXAYXUHPQHT-UHFFFAOYSA-N 430.578 1.840 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1359028066 GGBOZKHSIVPJSX-UHFFFAOYSA-N 447.465 1.731 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)n(C)c2=O)CC1 1359028599 XQJOFIISGKIRTC-UHFFFAOYSA-N 439.564 1.007 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359054801 IHOFNMYPCKFXKB-LSDHHAIUSA-N 433.534 1.612 30 10 IDEE 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C#C[C@@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccc(Cl)cc1 1637296555 IDSHGCBXLKOQSU-QGZVFWFLSA-N 425.876 1.865 30 10 IDEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OC 1638394865 ISJQHOMRRILGFG-INIZCTEOSA-N 426.539 1.441 30 10 IDEE CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1638626012 AWKWXQAMLPLCSI-LJQANCHMSA-N 440.525 1.500 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1638875716 FLCHIWBYTKPQEA-UHFFFAOYSA-N 433.534 1.438 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@@H](C(=O)OC)[C@@H]2C[C@H]12 1639016885 KCKLVOWBVLABQU-ALYAQQCSSA-N 433.530 1.598 30 10 IDEE N#Cc1cc(CNC(=O)c2cc(I)ccc2-n2cnnn2)ccn1 1640009784 PYQFPYBYFMALSJ-UHFFFAOYSA-N 431.197 1.464 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN([C@H]4CCOC4)CC3)C2=O)cc1 1640918324 CCXFNLALICZOHO-RBUKOAKNSA-N 425.489 1.133 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)cc1 1647769246 JCQMVCWVIBPUSX-UHFFFAOYSA-N 444.444 1.931 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1653760357 VOZIEAFIXNOLHI-OAHLLOKOSA-N 433.509 1.754 30 10 IDEE N#CCCN(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)CCN1CCOCC1 1657466534 FCPZPIQRNAYSNJ-UHFFFAOYSA-N 433.578 1.602 30 10 IDEE Cn1ncc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1Br 1661361869 BGVOESMQWQUVFM-ZDUSSCGKSA-N 438.307 1.528 30 10 IDEE C=CCCSCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1667039662 HZMDJLBMKDMWHC-OAHLLOKOSA-N 447.604 1.583 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1672490053 QGSMSLRHXPESGA-SFHVURJKSA-N 426.970 1.874 30 10 IDEE C#C[C@@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)c1ccccc1 1682352122 GRUBHFANEFOFOV-NHCUHLMSSA-N 434.544 1.926 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1)C1CCOCC1 1682887003 DRTBETORLLHHCN-QGZVFWFLSA-N 425.576 1.809 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1690104348 UITYSVPKGCDXQE-INIZCTEOSA-N 448.545 1.332 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C)n2)CC1 1690132245 MRIPKTVGRDKWJG-UHFFFAOYSA-N 449.584 1.971 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)CCC(C)C)CC1 1690135569 ZKJKRNUHUBHXEW-JTAQYXEDSA-N 433.597 1.945 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1690207654 HNEBBGLLVSVZEG-WIYYLYMNSA-N 428.562 1.680 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CC)c1 1690264783 CRVDPJTYKSIGBP-QGZVFWFLSA-N 437.570 1.278 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690309521 CHGQFMNSNMMOLT-CQSZACIVSA-N 437.522 1.222 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCS2(=O)=O)C1 1690700465 SNTZYLXJOCYAMD-IAGOWNOFSA-N 425.555 1.337 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(N)=O)C1 1690720547 LXAXABOTTCMKJQ-INIZCTEOSA-N 440.529 1.406 30 10 IDEE CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1690800846 GVYNOPDRSAHRNJ-RXVVDRJESA-N 448.593 1.569 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1696579921 DNSHTRJDQAYILI-GOSISDBHSA-N 436.520 1.241 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1698495798 XHEYKADEGUFHTE-JLUOLNIDSA-N 439.520 1.829 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)NC1CC1 1705489438 PMPIXCZNHWMVCG-HNNXBMFYSA-N 443.577 1.755 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1705495795 VNAWVVLWMPRDHR-FCCDEINASA-N 439.582 1.274 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CC1 1705495935 XTHIDRADRAWZAJ-SJORKVTESA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705562067 XLWNDMPRVYNVSF-MRXNPFEDSA-N 433.490 1.251 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1705567743 YVRWNDUWMDJTSN-RBUKOAKNSA-N 437.610 1.878 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1705611850 QZIWJOAJPWWBNN-NRFANRHFSA-N 436.560 1.694 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ncc(C)s1 1705628261 BMEQDCPZTSVNPA-GOEBONIOSA-N 437.591 1.835 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1705629452 JDNMXSGVIXKQDM-GOSISDBHSA-N 449.552 1.518 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C)n(C)c2=O)CC1 1705641398 CTFVXMRFPFTHFL-UHFFFAOYSA-N 446.555 1.710 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705786103 GIRGAUJSVHTXGC-TWOQFEAHSA-N 441.598 1.875 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705942786 DJZQXUBBCSXZAE-INIZCTEOSA-N 429.550 1.959 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1nnc(C)s1 1710698194 RMGAPWCKGWOKHK-UHFFFAOYSA-N 426.506 1.752 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@](C)=O)CC1 1710734468 DLAUWCDOICGIPN-IWAYBZMOSA-N 444.565 1.102 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1710778639 MWTHFPBZMORCSG-UAYHFDEJSA-N 444.536 1.909 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1712647579 DCYQZGOINJKGOJ-XEZPLFJOSA-N 435.435 1.507 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1712887923 XLQUSJOYZZFGOX-ZACQAIPSSA-N 430.459 1.907 30 10 IDEE C#CCOCCC(=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]1c1cccc(F)c1 1719149719 LKNMJTFGSFHTDS-FIQGOXITSA-N 426.488 1.700 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722363409 SNBGWPCFBCTWIF-HGHGUNKESA-N 430.530 1.112 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC[S@@](=O)CC 1722420765 LDKOTMRRNFEWTF-VWLOTQADSA-N 428.356 1.890 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)N(C)C)CC1 1722429504 MUJMQQVDKSOLGO-GOSISDBHSA-N 429.594 1.536 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722600157 MJZZAUBCLCJKSS-INIZCTEOSA-N 426.525 1.711 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1722604037 SSOQDTULCOXRDU-INIZCTEOSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1 1722689898 BIFIGXVMWVPQFP-AWEZNQCLSA-N 432.912 1.389 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1722819157 AQMHUJKKNVBBMG-IBGZPJMESA-N 426.521 1.996 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCOC1 1723618009 OOYRRMGJRLSVCP-QGZVFWFLSA-N 438.536 1.436 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cccn2)CCO1 1730607324 AJKNHQLMEWGZLW-HXUWFJFHSA-N 437.504 1.867 30 10 IDEE COCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730928335 MLLLAVUZDGJBIU-IBGZPJMESA-N 428.512 1.848 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOCC2CCOCC2)c1 1731179577 VAFGXMWMCZEGFF-HXUWFJFHSA-N 438.532 1.962 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCSC1 1740545893 DGWBWAWVRMZBPV-KUHUBIRLSA-N 434.591 1.564 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(=O)NCC=C)c1 1740563638 VYQCDCNBTSJAKD-UHFFFAOYSA-N 430.472 1.094 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 1740591332 OICKQRNCUXJZQX-LJQANCHMSA-N 447.536 1.726 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C(C)C)CC1 1740697773 LRQTYNMQQWTFFA-JOCHJYFZSA-N 445.589 1.511 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740791578 LTFJNFMCSSPOOL-UHFFFAOYSA-N 434.504 1.685 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNS(=O)(=O)CC)CC1 1740820792 RDSVPGIPVMHZPG-UHFFFAOYSA-N 443.537 1.017 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740837132 HNYYFWJXVPZBSO-UHFFFAOYSA-N 431.562 1.991 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CC2(F)F)CC1 1740952117 VIMHFYZWAJDUJD-TZMCWYRMSA-N 446.524 1.062 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 1740966974 ZDWKLUDNKCYMCH-HSZRJFAPSA-N 440.548 1.992 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CC2)C1 1740970161 FWSJEQIEDALMSN-HNNXBMFYSA-N 446.533 1.284 30 10 IDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1747346909 KJFIUQAFEQTGTK-HXUWFJFHSA-N 433.534 1.229 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OCCN(C)C)cc1 1748766125 GMPKNIBUPLANKE-UHFFFAOYSA-N 433.516 1.984 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@@H]1C 1748784362 LDOQQOFLBBQDIX-INIZCTEOSA-N 431.566 1.028 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1748859289 FMHDQXSREYQFPK-FQEVSTJZSA-N 442.541 1.906 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(NC(N)=O)cc2)CC1 1748977890 LOCIQUDFYAOVRM-KRWDZBQOSA-N 441.536 1.296 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1748993357 WFHKYVILZBQKOU-GOSISDBHSA-N 431.537 1.198 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1749008760 BHBSKBAQMAYYRY-SLFFLAALSA-N 445.564 1.537 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)OC)CC1 1749014817 PFXGVSASMBTNRT-UZLBHIALSA-N 439.516 1.791 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749454900 LSAUTUVFSQIUKK-UHFFFAOYSA-N 436.520 1.629 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749457377 QDGOFGVAWVLQHL-UONOGXRCSA-N 444.458 1.327 30 10 IDEE C=CCn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1749646709 XVMOFTZCCIXKEA-NZQKXSOJSA-N 448.612 1.347 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(C3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749682007 MSZQTYYFXPILQL-QHCPKHFHSA-N 446.596 1.687 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749732141 QMTMCKOTSLMBTL-UHFFFAOYSA-N 445.545 1.424 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(COC)CC1 1749732168 RECBKZCSVGVUKQ-OAHLLOKOSA-N 425.555 1.083 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)(F)F 1749948237 IHRRJUJZBONZAH-CYBMUJFWSA-N 432.447 1.811 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1750083555 FHJAIFJMGOPFKX-HSZRJFAPSA-N 438.532 1.976 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C1CC1 1751125512 HXWTTZKFNLJSJE-DNVCBOLYSA-N 428.562 1.923 30 10 IDEE CC1=C(C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1751330441 IUMYDCUMESGABA-MEUCICPISA-N 425.493 1.302 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1760182369 JCLPKVYVBDKOSS-WMZOPIPTSA-N 431.562 1.648 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760189687 KYVOEHSDHCPJSM-GOSISDBHSA-N 433.603 1.653 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760189688 KYVOEHSDHCPJSM-SFHVURJKSA-N 433.603 1.653 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C 1760196050 NXBAOMRUKYKBIJ-UHFFFAOYSA-N 437.529 1.299 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2cnnn2)CC1 1760254280 SIXWVXAKMYCKNX-KRWDZBQOSA-N 439.499 1.389 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](F)COC)CC1 1760269940 HOAMEIMDGNZMKH-IBGZPJMESA-N 431.487 1.958 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(OC)C2CC2)CC1 1760271026 ITHBOYNZQWAIAS-HSZRJFAPSA-N 442.564 1.181 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1760272732 UAGCRXMQNFKXAN-UHFFFAOYSA-N 449.544 1.408 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](CC)OC)CC1 1760273560 YFVVHEWSUYATLC-FHWLQOOXSA-N 433.553 1.393 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2OC)CC1 1760522016 KBXJRKHQFDRRIB-KRWDZBQOSA-N 426.521 1.419 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCOCC1 1761395630 DAPTUBALQSWISP-VQIMIIECSA-N 444.561 1.161 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)n1 1762457945 BNMQTIWMQMJSFB-PXNSSMCTSA-N 430.582 1.306 30 10 IDEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1764425931 FILSGXGOUGLXBQ-IBGZPJMESA-N 437.548 1.787 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)C 1766650862 DWPVFDLYJSOFTP-MRXNPFEDSA-N 446.577 1.848 30 10 IDEE CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C 1767526192 HVZRCWHGEBVCGJ-QHCPKHFHSA-N 442.612 1.670 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1767710831 IKGDMIBJQRVUKN-LJQANCHMSA-N 447.561 1.883 30 10 IDEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1768162785 WQHINPHKNHJVLK-UHFFFAOYSA-N 437.548 1.631 30 10 IDEE COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1769399040 HGXYQJIWGKAPRP-GOSISDBHSA-N 446.577 1.961 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1769566672 DVHPCOZBUVWUGR-SIKLNZKXSA-N 429.521 1.990 30 10 IDEE COCCCN(C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1771042651 QTLBXHCMJJDFOD-FQEVSTJZSA-N 437.548 1.978 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1771356250 CLXLRFQPMULUGN-SFHVURJKSA-N 442.545 1.453 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1771504680 DTUKWGPJLLAQFH-KMCXXSLUSA-N 443.552 1.227 30 10 IDEE COc1cc(OC)c(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)cn1 1852305582 BYYMZAUBKRBLME-GOSISDBHSA-N 427.457 1.907 30 10 IDEE CN(C)C(=O)COc1ccccc1C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1852450054 BTOLLOKSDMUBBZ-UHFFFAOYSA-N 426.517 1.768 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)nc1 1853114834 WJNADLDEWGCVOS-SFHVURJKSA-N 437.475 1.811 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)[C@H]4CCOC4)C3)CC2)cc1 1855640730 XENGUOWPQRHBGN-ROUUACIJSA-N 431.514 1.371 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)CC1=O 1856802470 HRJGJSPKSSZKGY-QZTJIDSGSA-N 434.514 1.448 30 10 IDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2csc3c2CCOC3)C1)[C@H]1CCN(C)C1=O 1857074187 CZXHSHQBGJJSCQ-YJBOKZPZSA-N 431.558 1.918 30 10 IDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 1858764698 NGNQXEUMMJJGHN-UHFFFAOYSA-N 432.458 1.429 30 10 IDEE C=CCNC(=O)[C@@H](CCC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593393 ITYPGRXXQJFREY-QZTJIDSGSA-N 431.533 1.682 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n(C)n1 1870004094 UFYBLYPRZQEWHV-UHFFFAOYSA-N 444.492 1.388 30 10 IDEE C=CCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870447558 WFZPIAJLYQPZMO-UHFFFAOYSA-N 442.472 1.817 30 10 IDEE C=CCN=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871716880 SCNJBKQEAIBVTK-UHFFFAOYSA-N 448.487 1.997 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CC2)CC1=O 1872918070 RTLQWLOAJRQSBT-HNNXBMFYSA-N 438.484 1.124 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 1889328021 LBWZRHSIKMGTHN-OAQYLSRUSA-N 446.636 1.670 30 10 IDEE C=C(CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)B1OC(C)(C)C(C)(C)O1 1894358285 BSZNSIVEHRLBQX-UHFFFAOYSA-N 434.323 1.780 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 1984940672 MIRZPVKRPJTUCV-OAGGEKHMSA-N 425.526 1.780 30 10 IDEE C=C(CNC(=O)[C@@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2077061088 GJRGFLJKFPGPRW-AWEZNQCLSA-N 433.318 1.701 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)nn1 2124523700 JNMBCFFUUIZAES-GJZGRUSLSA-N 447.345 1.853 30 10 IDEE Cc1cnc(N2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1 2232276762 VOJPWXWLJRPCFV-AWEZNQCLSA-N 442.291 1.488 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](OCc3ccccc3)C2)n1 2255622379 YXTNSAUQKXVUGS-KRWDZBQOSA-N 426.326 1.936 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255628218 FKOBZGWYAKYWOT-HIFRSBDPSA-N 432.330 1.790 30 10 IDEE CC[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2255699311 WSKBCUXHLSIVET-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2255813527 PCYJCCMEMWHZOE-KBPBESRZSA-N 432.330 1.553 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255838174 BJDUIXZNZJOXIO-CHWSQXEVSA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255851679 UHUGYZARHSDLSA-KGLIPLIRSA-N 436.314 1.991 30 10 IDEE CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255875836 FMOMINSIFUYVOB-QGZVFWFLSA-N 428.342 1.774 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H]1OCc1ccccc1 2255950976 XHDVOFJKDCMVKJ-DLBZAZTESA-N 447.366 1.745 30 10 IDEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2256061744 KPVQKZQLPISCQX-UONOGXRCSA-N 432.330 1.761 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2256612715 FSXAYNCFGREXTJ-HNNXBMFYSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267224710 NCFVJHFLNQPEJI-SJORKVTESA-N 447.341 1.481 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267266611 QRFNBUUESWWUAE-ZSEKCTLFSA-N 447.345 1.101 30 10 IDEE Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282568554 DROBZTKQKKXVAX-IBGZPJMESA-N 449.364 1.878 30 10 IDEE COc1ccc(F)cc1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 2296618219 QEFFXRFALPEOCO-HXUWFJFHSA-N 441.459 1.983 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 2337199887 AODRPGDFBDBYGV-HSZRJFAPSA-N 440.353 1.086 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C2=O 65930929 HIYUWANKKQDMKC-UHFFFAOYSA-N 425.533 1.949 30 10 IDEE CC(C)(C)n1ncnc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 410111350 SQQGLGSGOCVIQC-UHFFFAOYSA-N 431.522 1.121 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(F)c1 478165733 SJEVAWIQIHXVSV-UHFFFAOYSA-N 441.481 1.673 30 10 IDEE C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(c3oc(-c4ccco4)nc3C#N)CC1)CS2 481821717 CGYCXCJGJQIFQE-JLTOFOAXSA-N 427.486 1.909 30 10 IDEE Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)cc1 503612069 QRBYAZJBJIAPMA-UHFFFAOYSA-N 426.498 1.994 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)cc1 511371849 DASUROUSEVDRRC-UHFFFAOYSA-N 441.469 1.428 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(-c2ccccc2C)c1=O 512741972 CWOJHIDORYLMBW-UHFFFAOYSA-N 447.564 1.986 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 513785166 HFXCVZOHMYLMNQ-UHFFFAOYSA-N 428.470 1.698 30 10 IDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 522660612 FTASANKMMRVJMZ-CYBMUJFWSA-N 438.560 1.857 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCCN(C)C)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 531824828 BHZKYWDJJJFYFT-MRXNPFEDSA-N 433.530 1.050 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C 535320731 JIDGCHOTDKWYDF-DNVCBOLYSA-N 428.514 1.041 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1 547444233 UONJQKCHERBDSO-UHFFFAOYSA-N 448.936 2.475 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc2C1=O 552287517 JAHNIYOOHQAMIK-CYBMUJFWSA-N 433.408 1.021 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(COC3CCOCC3)c2)c1 581340622 HLKBGMWNYZWVSS-UHFFFAOYSA-N 443.525 1.849 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C 590943101 FJPIDLRHHLXQNA-INIZCTEOSA-N 434.521 1.257 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(C(=O)N2CCOCC2)CC1 598702047 HLKZZUKKXRVWNX-SFHVURJKSA-N 428.533 1.901 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CC2)c(F)c1 609920450 MUMBGQQCXMIADA-UHFFFAOYSA-N 442.539 1.473 30 10 IDEE CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 614947782 VNSSZXLQLOGNQA-UHFFFAOYSA-N 437.475 1.616 30 10 IDEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671665614 YTKHEBVVFCUSOW-KRWDZBQOSA-N 434.493 1.681 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCS(C)(=O)=O)c2=O)cc1 729673249 KUBSJHJNBZOGBN-UHFFFAOYSA-N 430.551 1.135 30 10 IDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732650595 YVNZHPDHZQVOLX-GBXCKJPGSA-N 431.496 1.806 30 10 IDEE COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)c1ccc(C#N)cc1 740216621 WZYSGQWLYFFSDW-SFHVURJKSA-N 432.454 1.242 30 10 IDEE CN1CCC(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)(N2CCCCC2)CC1 742136323 YMJNIWJMPPSECA-UHFFFAOYSA-N 447.605 1.182 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)Cc2ccco2)cc1 748527057 WWEZJNXKQPBURX-SFHVURJKSA-N 447.538 1.365 30 10 IDEE Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C#N 749755771 POMYGPOAAUINES-UHFFFAOYSA-N 434.543 1.604 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccn(C)c2)c1=O 763461288 UGOMWQPNEBVAFG-UHFFFAOYSA-N 437.521 1.679 30 10 IDEE COc1ccc(Cn2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)cc1OC 778786815 GLDHMUVCSFMGGV-VZCXRCSSSA-N 425.445 1.205 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c1=O 780298028 OBMWBNWCBHAVOW-UHFFFAOYSA-N 446.507 1.799 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781648010 BUQVNICVCGCOMF-UHFFFAOYSA-N 438.553 1.678 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 789159804 UIEQJADLDISRNG-MRXNPFEDSA-N 431.443 1.758 30 10 IDEE Cc1ccn(C[C@](C)(O)C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(=O)c1 790693621 BILLIPNXVBOWPU-ZSEKCTLFSA-N 429.498 1.900 30 10 IDEE CC(C)CN(C(=O)COC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 795822677 FDKKFQNQGZUOPC-RBUKOAKNSA-N 431.514 1.455 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc(F)cc1F 1083971317 VUBHXFCXJWJLIO-UHFFFAOYSA-N 435.416 1.858 30 10 IDEE Nn1c(NN=Cc2ccccc2O)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1084295550 UUSATDFNBIECPL-UHFFFAOYSA-N 428.434 1.783 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc(S(N)(=O)=O)cc2)n1 1143259625 OZJNLWPZCDNTRD-UHFFFAOYSA-N 436.544 1.700 30 10 IDEE C=C[C@@](C)(CCOC)C(=O)N1CCN(c2ncc(I)cn2)CC1 1150811572 ZRIQIIVTNJCOMQ-INIZCTEOSA-N 430.290 1.959 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1150870506 IPFQZNHKPPHEED-ACWOFJMJSA-N 435.406 1.196 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C[C@H](O)CC4(C#N)CC4)CC[C@@H]32)CC1 1195147370 KUDNNFAGGUHMPK-QRVBRYPASA-N 447.580 1.909 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(N3CCCOC3=O)CC2)CC1 1198218175 DGSSDYLNZPKFJW-NRFANRHFSA-N 443.523 1.841 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)nn1 1230272559 WYBSDTVKCJXWNZ-SFHVURJKSA-N 430.534 1.531 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCN(CC)CC1 1286369480 RPRUIQSERPQOLX-SFHVURJKSA-N 448.575 1.287 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1286409561 NYEBABYSOSUOBG-IBGZPJMESA-N 434.525 1.487 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1286787720 IVUAHOVQHIMQFO-MRXNPFEDSA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1286787793 JOXGEOIHQVOVDT-HUUCEWRRSA-N 430.475 1.895 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286789517 HMMLEARGYUIBGA-UHFFFAOYSA-N 429.569 1.651 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286794206 ZMHXGKAGXMMEHL-DLBZAZTESA-N 431.541 1.014 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286821660 RNGBYXMIJJIDEI-SFHVURJKSA-N 445.545 1.419 30 10 IDEE C#CC[C@H](CCOC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1287418555 CBFVIYAPQIVDQP-DNVCBOLYSA-N 436.306 1.761 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 1293634411 YSEBHQCSXHBXBD-OAHLLOKOSA-N 442.948 1.535 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccsc3C#N)C2)CC1 1293999508 DHOIEPRFVNJILA-UHFFFAOYSA-N 440.547 1.327 30 10 IDEE CCNC(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1296254491 GXGSQRFGEFOGGI-OAQYLSRUSA-N 440.483 1.674 30 10 IDEE CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1299311397 HQRXUSZKJJADQM-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)c(OC)c1 1300076056 BEKGFZAEEJFKKY-QGZVFWFLSA-N 442.520 1.853 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1300310714 YZTGCCQVKNKRHP-HKUYNNGSSA-N 431.562 1.734 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1300357463 OLADZDSYCCITEC-UHFFFAOYSA-N 427.509 1.661 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCCS1(=O)=O 1300438779 VTRIPUAZHCJGDT-UHFFFAOYSA-N 441.355 1.151 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1300538985 WIKYWEHRXFMYDZ-SFHVURJKSA-N 428.562 1.462 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1300664058 NTTRSIJPLRXELH-PBYQXAPXSA-N 429.546 1.242 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1301016661 BCCQXESQZGHIAK-HNNXBMFYSA-N 447.005 1.189 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1301082916 LQINPXHQZUJDDX-LAUBAEHRSA-N 431.468 1.709 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCC(C)CC1 1302311506 LTPMYYCVNDPNEE-HAGHYFMRSA-N 432.569 1.851 30 10 IDEE C#C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1 1312936825 LUHRQSHMVRHGCS-OAHLLOKOSA-N 428.246 1.524 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)OC)CCOC1 1314133322 AEECFVNBNALTLP-HTAPYJJXSA-N 441.536 1.558 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1314490367 OWKQGUGCXQBAQK-UHFFFAOYSA-N 435.488 1.422 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1314562188 HOFVWVVHCSOGKA-HOTGVXAUSA-N 448.549 1.282 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1315825401 OWHMRHMFIYRCGH-SJORKVTESA-N 443.483 1.269 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C[C@@H](C)O1 1315935861 LYAFFFXBSAJQRZ-UXPWSPDFSA-N 427.505 1.862 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccn(C)n1 1316205869 JEZHGCKJKDLAGE-QFBILLFUSA-N 428.541 1.155 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1 1357767183 LSVZZWAGAKHIKB-UHFFFAOYSA-N 433.464 1.529 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358965973 FOSLUWKKFUHENW-CQSZACIVSA-N 447.483 1.370 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1358966412 OQGMBBPBPRNASR-GOSISDBHSA-N 442.545 1.396 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1359000409 UUNGHLBCNBIGNU-LBPRGKRZSA-N 430.456 1.810 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1359010468 QNSLFDIFAPKWDN-VGSWGCGISA-N 449.552 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ncn(C)n2)CC1 1359042236 XLVNIATUVQEGCT-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359042552 LFECCETVSPFNLO-ICSRJNTNSA-N 441.532 1.864 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359126660 UZNNYDYJWNFYFM-UHFFFAOYSA-N 432.569 1.990 30 10 IDEE C=CCCOCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1359229756 TWCFUKWGDDHKJI-LAUBAEHRSA-N 437.541 1.800 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1359296979 AKRSTADHGTXODB-DLBZAZTESA-N 441.536 1.010 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1359304729 HSQJYJYTZXSTQN-OAQYLSRUSA-N 431.468 1.294 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1359323277 KYOZXHHBOGYBOX-SFHVURJKSA-N 439.495 1.942 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359471175 MRLNBOLAROYMRL-OAHLLOKOSA-N 439.524 1.529 30 10 IDEE CC(C)(C)OC(=O)NCCCSCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456610978 DNHQGRWQBVUQMN-KBXCAEBGSA-N 431.580 1.421 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1461047405 YQRRIHLOJPPDEM-YJBOKZPZSA-N 449.529 1.476 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H]1Cc3ccc(C#N)cc3C1)CCS2(=O)=O 1471145088 QMJHKUYOSFVLPG-IOBOIYPZSA-N 431.514 1.224 30 10 IDEE CN(C)C[C@@]1(O)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1471373923 NUTKMRWESGNOSU-XXBNENTESA-N 428.533 1.918 30 10 IDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 1475292540 FVAQEDPZIKPKNM-UHFFFAOYSA-N 426.925 1.272 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)cc1C 1492273622 HYNFSQXLWOARTN-IBGZPJMESA-N 441.536 1.454 30 10 IDEE CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1503580673 AEGARYWPMIZWKH-UHFFFAOYSA-N 446.558 1.909 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCC(=O)N2)CCO1 1505321802 XDJRUPUYKBCWIB-CABCVRRESA-N 431.294 1.715 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cccc(Cl)c2n1C 1507515782 INPJZTGHEQAWGP-CHWSQXEVSA-N 449.968 1.935 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507632287 YLJBCUVREXLOKG-OAHLLOKOSA-N 435.937 1.910 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2OC)CC1 1507901651 DDQFUXRWYIIOJH-MRXNPFEDSA-N 448.593 1.935 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CC2)C1 1508111515 ZJDUKQZFWTZQGQ-DHMKHTPVSA-N 430.534 1.618 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)N2CCOCC2)C1 1508132620 WYGLKZZTFLVNBD-HXUWFJFHSA-N 441.532 1.806 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1508416020 DAQFODZLWNHXIZ-WMLDXEAASA-N 425.493 1.351 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(F)(F)Br 1510190981 KCBPBENUFXPXGZ-LDYMZIIASA-N 445.265 1.318 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1512422011 VFOKBHSNQDVDAZ-BUWYAKEBSA-N 447.499 1.957 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1515491178 BPLMKKWRZHECCL-UHFFFAOYSA-N 448.535 1.577 30 10 IDEE COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccc1C 1517981097 CNUINSDGWBZCKX-DOTOQJQBSA-N 448.549 1.177 30 10 IDEE C[C@@H](Sc1nc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1)C(N)=O 1521758515 AHIROWXFDGANAN-WBMJQRKESA-N 443.554 1.835 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539211929 LWEONNFOFFGIER-JMGYQRAPSA-N 436.559 1.384 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1539343324 JNDYZGQJIYRFTM-QGZVFWFLSA-N 445.593 1.781 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)cc2)CC1 1539447860 XOUMNOQLXPLQQN-QGZVFWFLSA-N 433.965 1.637 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1540266953 MNHLLBPGCKNYFK-UHFFFAOYSA-N 445.335 1.791 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C)cs2)C1 1540883959 HVSMLDNENPAJGG-KGLIPLIRSA-N 426.568 1.483 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnn(C)c1 1540900304 QUPZNHVWTFUHDG-UHFFFAOYSA-N 444.517 1.645 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1541607979 FPSJPNVFYRDLLR-SFHVURJKSA-N 439.520 1.710 30 10 IDEE C=CCC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1556642182 DMLNEXBBZRBJRR-MRXNPFEDSA-N 440.518 1.344 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)CC1 1558073435 SDXNIQHGYVBDCR-UHFFFAOYSA-N 445.545 1.551 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1563385274 JJZTTWWJBMMFRV-MRXNPFEDSA-N 434.541 1.901 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568505864 YLQXJFWIMKTBGS-IEGUWTFLSA-N 442.516 1.536 30 10 IDEE N#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)c1ccccn1 1585100323 VONMTLXZFCYXDD-OAHLLOKOSA-N 426.454 1.575 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2=O)cc1 1585465596 YFLSSUVPNVRPMV-ZWKOTPCHSA-N 438.488 1.170 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1587586411 TVTIGBDEZFQJMU-CQSZACIVSA-N 443.909 1.326 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1589150873 NBBOXGLARDNNPY-WHSLLNHNSA-N 431.562 1.982 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1589577378 BOYFQCXNMFSNSM-HCXYKTFWSA-N 448.568 1.445 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1594497984 OSFOEFNAQCREGU-KRWDZBQOSA-N 425.599 1.551 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1594839272 HPZIMRWXHNBILW-HXUWFJFHSA-N 433.534 1.319 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(F)cc(F)c1 1594963088 PTAZWDQMWPEJHI-KRWDZBQOSA-N 441.504 1.754 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1595777245 KNVFDHHTGXZEFT-UHFFFAOYSA-N 447.561 1.149 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1611308321 OATSYJMIWVLERS-BZUAXINKSA-N 431.518 1.759 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](COC)C1 1617368933 DXBBDPDLRKWTRE-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1619829052 RLDGZTSCFRBTMN-VZCXRCSSSA-N 435.488 1.816 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1620350086 BKNMVOLHCOAJEJ-OAHLLOKOSA-N 429.431 1.009 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 1627260693 PWKULXHRLFSUSH-MRXNPFEDSA-N 426.560 1.227 30 10 IDEE C#CCN(CC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1628523992 YLJQHXASSVKBKA-OAHLLOKOSA-N 436.534 1.929 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1631298525 KEWFNAKQJNSEAY-UKRRQHHQSA-N 445.463 1.490 30 10 IDEE C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1632172294 GOGYVQHZVQCURZ-IRXDYDNUSA-N 436.553 1.754 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOc2ncccc2C1 1638086645 HVFSWYQSZRNYGQ-KRWDZBQOSA-N 428.514 1.956 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 1647978029 UGVSFPGHMVVIDN-LJQANCHMSA-N 447.461 1.801 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2C(=O)NCC(F)F)CC1 1658673787 APGBEJUXIYXNJU-HOTGVXAUSA-N 439.532 1.693 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2OC)n1 1663145212 ZUNWTVHXKJHYRR-UHFFFAOYSA-N 434.518 1.064 30 10 IDEE C#CCN(C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1672022882 QHTOOSZSKQGJLJ-WVDZOPJMSA-N 440.547 1.055 30 10 IDEE Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(F)(F)F 1676111271 DACFZYFUQUQDDV-SFHVURJKSA-N 437.426 1.359 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1684759413 BZXUJQXYELPDKK-GQIGUUNPSA-N 440.566 1.603 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 1689982899 WVUUWYATQIWHIQ-RBUKOAKNSA-N 443.573 1.748 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1690032457 BRMNWUWUMJWOJW-QGZVFWFLSA-N 441.557 1.529 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CCC(N)=O)CC1 1690183352 VFBFAGWRXFQOKR-UHFFFAOYSA-N 429.594 1.988 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cncn2)C1 1690218372 DEWZBEUPSUHLDY-CQSZACIVSA-N 435.330 1.856 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690451626 LIZGEZPBLKRFIK-WBVHZDCISA-N 437.570 1.556 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1690622093 HLVJFEVVKKIIJQ-QGZVFWFLSA-N 448.549 1.221 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)C 1690671894 BLGPXLCZZPBKOT-QGZVFWFLSA-N 428.493 1.054 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1690675726 CQGJSILQMWNMAZ-GOSISDBHSA-N 440.548 1.842 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(N)=O)cc2)C1 1690684227 AZFMYYMRTPJEHZ-SFHVURJKSA-N 447.499 1.854 30 10 IDEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690736760 NYTAKFWBAADSHA-MRXNPFEDSA-N 442.545 1.020 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1696469515 CFSDTWOEXFLCGC-HXUWFJFHSA-N 433.534 1.493 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698486827 SIONSXZHMFECEL-XDSRXIPYSA-N 436.451 1.232 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1698495339 OHHKZRLKEDHUSU-QTIQAUKSSA-N 425.493 1.786 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2CC2)c1 1705503828 FWNDYZNOGNWCSV-HNNXBMFYSA-N 444.561 1.745 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](CC)OC)c1 1705508464 WGSUPWVTIYTMIR-LJQANCHMSA-N 438.532 1.882 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1705565929 KVDNRELHOFFSMP-IYKSTZQJSA-N 431.518 1.599 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCS(=O)(=O)C1 1705588579 BSSWKOXQWVJEIQ-QGZVFWFLSA-N 433.578 1.484 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc([C@H](C)O)cc2)CC1 1705639206 ITYLLJSGYKAXOK-PXNSSMCTSA-N 443.573 1.037 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)C(C)(C)C)CC1 1705643963 WMDKGPONVAMLFK-SFHVURJKSA-N 444.580 1.541 30 10 IDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705725430 ZUEOLBSPOYZJEO-QZTJIDSGSA-N 441.536 1.388 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1705737313 OEUOOFFXIZJASN-GOSISDBHSA-N 441.598 1.974 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705791968 JLYUMXIZRAOHEV-HUUCEWRRSA-N 430.596 1.406 30 10 IDEE C=CCC(C)(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OCC)CCOC1 1705802873 YDPFIOAPCSTZIQ-QFIPXVFZSA-N 435.569 1.828 30 10 IDEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1705814877 CZIWQOVDUJRCAX-UHFFFAOYSA-N 426.521 1.850 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1705819891 WNMBUSLSOPYKOS-WMZOPIPTSA-N 439.582 1.583 30 10 IDEE Cc1ccccc1OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1707682319 XIENRPOAOYGREE-ZWKOTPCHSA-N 445.545 1.687 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1708188749 YEULWOULLWCKLY-PLGXQAJASA-N 425.493 1.424 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1709902027 BDHUKNGVSIDXGL-NRFANRHFSA-N 442.545 1.310 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCN(CC)CC1 1722299890 UTWJKHMWJIROLI-UYAOXDASSA-N 426.613 1.871 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722333129 SFYPYKMRGYRUML-KRWDZBQOSA-N 429.546 1.626 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N1CCOCC1 1722406178 VYHIQEPTLHHDKD-UHFFFAOYSA-N 445.545 1.057 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCOC2)n1 1722429556 NKQOYOAKUKTHDM-OALUTQOASA-N 428.537 1.691 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(F)(F)F)CC1 1722440208 AVSFSUQPVYIQOP-UHFFFAOYSA-N 442.486 1.971 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722441391 JMCIDAPJYMFLQZ-LEWJYISDSA-N 425.533 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2COC)CC1 1722448415 UDPBLUVCGFDIDF-OAQYLSRUSA-N 437.544 1.943 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722522183 CDASNFDUWJFTTM-WMZOPIPTSA-N 429.569 1.375 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722535264 CXXDTFMOYAWBRL-SFHVURJKSA-N 432.569 1.686 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1722654631 RGSVABNXPSNFMA-XMMPIXPASA-N 449.559 1.645 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CCC(=O)NC 1722694523 XYXJDMUYGJIEAQ-UHFFFAOYSA-N 441.355 1.644 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1722701428 PLGBXXBMOIUOLO-MRXNPFEDSA-N 434.541 1.263 30 10 IDEE CC(C)NC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N 1723645506 FXTVGCABYHWBGY-AWEZNQCLSA-N 432.554 1.501 30 10 IDEE CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1728055406 MYIRTYLIOBOZSZ-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1729526876 SMROGVNGGJXUJU-ZWKOTPCHSA-N 433.534 1.228 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CCO1 1729680749 HNFQLDWGQDCCRV-QKLQHJQFSA-N 438.532 1.973 30 10 IDEE COC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730562639 QGYZVRWLRWNMLZ-SJTPKYKMSA-N 430.509 1.171 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)N(C)C 1730949358 ISCKIGFWCXVNOU-BXWFABGCSA-N 440.570 1.024 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1740620285 DGNHCIIZUWFSKY-IRXDYDNUSA-N 446.577 1.452 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740624309 FICKHFLIECTZFZ-QUCCMNQESA-N 444.605 1.621 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1740729431 FPVUNMRILWNFKZ-DYESRHJHSA-N 427.530 1.673 30 10 IDEE C=C(C)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1740786175 SEAHARMRJXCRHJ-KRWDZBQOSA-N 435.554 1.927 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740885548 JCLNQVZBUASYNX-SJORKVTESA-N 432.569 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1 1740991693 BUYTWPMFAGNHCE-KRWDZBQOSA-N 444.623 1.653 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@H](C)N1CCCCC1 1741903972 GHCUCUZIESLTLM-ULQDDVLXSA-N 425.603 1.891 30 10 IDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)on1 1742898989 KAJLHMHFBJSLBO-UHFFFAOYSA-N 444.517 1.944 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1743333787 RBGHQSLNQLXKRU-SCYHOBCLSA-N 430.509 1.660 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](F)COC)c2ccccc2c1=O 1746472932 LNRODTZAAHFQAJ-CABCVRRESA-N 441.467 1.388 30 10 IDEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1748273691 KYZJVRSUQRVYEA-LJQANCHMSA-N 437.548 1.897 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1748751303 FGRIAZVLFPDVQA-OKZBNKHCSA-N 449.552 1.850 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749651137 OFEYLCIULZMOSQ-HOCLYGCPSA-N 443.483 1.073 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749732546 YPTRXDJYUUZETH-JKSUJKDBSA-N 425.555 1.212 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1750146505 GFCQMUOGRMSMTK-BXWFABGCSA-N 440.570 1.071 30 10 IDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1750903478 FGCLJZJDUDXAFW-UHFFFAOYSA-N 428.562 1.924 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1752278630 LTRKTTXPWCJRFX-AOMKIAJQSA-N 440.504 1.201 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760157537 SJNMOXQJHLWEOW-INIZCTEOSA-N 430.534 1.024 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)cc1 1760247441 BDLBNJPZPVUOLE-UHFFFAOYSA-N 433.516 1.706 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCSC2)n1 1760252820 WYVSAMOSTPQUAT-NQIIRXRSSA-N 446.577 1.480 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCC)CC1 1760271387 WPTCNNSLWQTHFH-UHFFFAOYSA-N 444.561 1.272 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1760279351 AGZAWAPAPFTALB-UHFFFAOYSA-N 444.561 1.819 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760296897 YXKHKAOWRSGLLW-LAUBAEHRSA-N 428.562 1.538 30 10 IDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760305246 XRFMMYOAPRVPQM-UHFFFAOYSA-N 446.309 1.769 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCC(C)C)CC1 1760389986 YHRBCTJDBTUSCR-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(=O)(=O)CC 1760468157 JTBAOWDRTMXNHV-HNNXBMFYSA-N 442.586 1.912 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760552599 UNHHHMAUWLMLFI-UZLBHIALSA-N 433.534 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)NC)CC1 1760555992 RYGKRZZZCDNTBU-KRWDZBQOSA-N 439.582 1.473 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)cs1 1762295707 BTLIXUABIOGQLH-MRXNPFEDSA-N 427.490 1.272 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1768540305 PLILWMPSVXMLJP-MOPGFXCFSA-N 445.545 1.636 30 10 IDEE COCCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1769913049 IEWKNGCRCMTXQE-UAFUQJIBSA-N 445.568 1.160 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[C@H]2C)CC1 1771162680 HIEOUJAQHRQWNH-XLIONFOSSA-N 437.548 1.357 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CCOc2ccc(C#N)cc2)CC1 1849841163 SKTUFIWUBUTZJE-FQEVSTJZSA-N 443.573 1.932 30 10 IDEE C=CCN(C(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)[C@H]1CCN(C)C1=O 1852209332 VTVGODGKIAAWBT-OALUTQOASA-N 425.595 1.301 30 10 IDEE COc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2C)cc1 1852900232 DQLJVWMEILBNOV-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE C[C@@H](CCC#N)N1CCC([C@@H]2CC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1853944156 YUFWHRLWFJNKKR-DOTOQJQBSA-N 436.578 1.190 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC1CC1 1857346578 DPWRMCPXVYOXLH-SFHVURJKSA-N 431.514 1.310 30 10 IDEE Cc1cc(C#N)nc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)n1 1857969708 OQTWMUCAALRYIS-UHFFFAOYSA-N 440.529 1.404 30 10 IDEE C=CCNC(=O)[C@@H](CCC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593495 ITYPGRXXQJFREY-ZWKOTPCHSA-N 431.533 1.682 30 10 IDEE C=CCn1c(C(=O)NCCCCN(CC)CC)cc2c(N(CCO)CCO)ncnc21 1873594750 AKXVDQKXBMMXAN-UHFFFAOYSA-N 432.569 1.260 30 10 IDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(NCCCN3CCCC3=O)ncnc21 1875226968 UOTRWGZVXGYPFG-UHFFFAOYSA-N 440.548 1.886 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)CC2)CC1 1889403672 CBAZMNMAHXXZTD-JOCHJYFZSA-N 442.560 1.121 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)Cc3cn4ccsc4n3)CC2)CC1 1889436487 AOUZKUICCQQONY-UHFFFAOYSA-N 443.617 1.975 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060623380 LQBQLGLMMQHERD-KRWDZBQOSA-N 434.342 1.530 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C1COC1 2085655538 YLSRVEMNYVQGNZ-MRXNPFEDSA-N 433.314 1.859 30 10 IDEE Cc1cc(C#CCN)sc1CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2100795630 HCJHWKFNBNWSGD-UHFFFAOYSA-N 431.539 1.472 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124535932 OFCYDINXSLCNRF-UHFFFAOYSA-N 446.353 1.831 30 10 IDEE Cn1nc(C(=O)NCC(=O)NCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247839234 UKUGCKIQMKGKKT-UHFFFAOYSA-N 432.717 1.419 30 10 IDEE Cc1cc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2248401564 KRZDNCSOZRZTJN-CQSZACIVSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255539917 GITJARBHAVSTSC-QLPKVWCKSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255594784 FEWDTJWIJOGBPL-LRTDBIEQSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2256639445 NJHIITLXUSVFHW-UHFFFAOYSA-N 435.374 1.974 30 10 IDEE CN1CCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 2267015450 OXAPFKZHEMWSSF-MRXNPFEDSA-N 449.357 1.860 30 10 IDEE Cc1nn(C)c(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2267133673 FREYARABMICRCK-UHFFFAOYSA-N 446.357 1.721 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267138928 YZUMULSHDWQRDL-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)n1 2267188094 HMWYBLSIFSPVTO-UHFFFAOYSA-N 446.357 1.943 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267188237 JNAQFPDJTUIKRK-QKDCVEJESA-N 446.357 1.562 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 2267264290 PRUBSNFJJALZLU-OAQYLSRUSA-N 449.361 1.538 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2267271278 QXBHMMMVENGANQ-UHFFFAOYSA-N 444.301 1.776 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C2CN(C(=O)OC(C)(C)C)C2)CC1 2267496456 XYFKAUDVTJLXBE-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 2267594955 BNQGACKGCNKKHX-UHFFFAOYSA-N 447.345 1.338 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267874941 BXLAECIAJZNVHC-SOUVJXGZSA-N 444.341 1.761 30 10 IDEE C=CC[C@]1(CN)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287690085 GSBYWBFLDRXFKZ-LEWJYISDSA-N 437.537 1.958 30 10 IDEE COc1nc(N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317501181 DJIXAJKMIXHIDO-AWEZNQCLSA-N 437.346 1.711 30 10 IDEE Cn1cc(C(=O)N[C@@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2320424332 QLAWRIRGZUMTCE-KRWDZBQOSA-N 429.326 1.417 30 10 IDEE COc1cc(C=NN[C@H]2CCS(=O)(=O)C2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2320842281 IVHLOYSZJRGBEW-HNNXBMFYSA-N 433.442 1.933 30 10 IDEE Cn1nc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2352403499 XVLGEUXBLDQRIM-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE COc1cc(/C=N/Nc2nnc(SCC(=O)OCC(C)C)n2N)cc(OC)c1OC 20919724 HYDFAFDZXFNHCS-DNTJNYDQSA-N 438.510 1.755 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cccc(Cl)c1 72443819 SZXSCBCMSGAIJS-KBPBESRZSA-N 426.864 1.349 30 10 IDEE C#CCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 111192400 GNSSTWDPCMWMMU-HNNXBMFYSA-N 436.489 1.523 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCC3(CC#N)CC3)CC2=O)cc1 431155228 DAMMSPCVUGBYGG-MRXNPFEDSA-N 432.546 1.880 30 10 IDEE Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 434010138 BNZQUJXLWUJAHI-BZNIZROVSA-N 443.451 1.995 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CCc2cccs2)CC1 443950340 UTNVUDQSJSKJMR-UHFFFAOYSA-N 425.557 1.499 30 10 IDEE COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C 486432644 LKJVYDAFPLZALF-UHFFFAOYSA-N 429.498 1.787 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486489323 SFRRCDGJWVGASN-KKSFZXQISA-N 444.495 1.757 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 508945335 KMARMMYTWZLVDK-UHFFFAOYSA-N 426.525 1.524 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 514648415 AUYVXCNJAKRFMG-MRXNPFEDSA-N 429.517 1.647 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1-c1ccccc1C#N 525686893 MTOPJZRLZBSTFL-UHFFFAOYSA-N 430.489 1.166 30 10 IDEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)n1 546210156 PUDQAVBKDHMLBA-UHFFFAOYSA-N 431.504 1.615 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccc2)CC1 549166514 LLRUBGZHWXEYCA-UHFFFAOYSA-N 434.548 1.346 30 10 IDEE COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 559152513 JVJPJGPLSMBQJH-QGZVFWFLSA-N 444.557 1.050 30 10 IDEE CN1CCCC[C@H]1CN1CCN(CC#CCN2CCN(C[C@H]3CCCCN3C)CC2)CC1 560159156 JOMFGOMGPQLANH-WMPKNSHKSA-N 444.712 1.194 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C(C1CC1)C1CC1 609703722 DWKKORPWFXLAFB-UHFFFAOYSA-N 437.565 1.927 30 10 IDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670234595 QITZVWRYAZINOG-PXNSSMCTSA-N 426.569 1.634 30 10 IDEE C#CCN(C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCS(=O)(=O)C1 729334024 GPEVXMOUYUJFFW-HOTGVXAUSA-N 439.331 1.451 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cscn2)C1=O 730145332 ZNVAYLMCKFJKTJ-HLGQQVFSSA-N 446.602 1.649 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(C)cc3)c2=O)cn1 735068418 AJULZPVLCPFJDR-UHFFFAOYSA-N 447.564 1.939 30 10 IDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)s1 736587454 MWCTXVIFIFYPRW-OAHLLOKOSA-N 444.582 1.288 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)CC1 742643281 XSVFDSONVINTGZ-UHFFFAOYSA-N 437.548 1.300 30 10 IDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1=O 749840644 MQGDXEIJBUZBMY-HXUWFJFHSA-N 444.444 1.507 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCSC 751831744 PARFUJPCVPABPW-UHFFFAOYSA-N 440.550 1.401 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(CC#N)ccn1 764205977 KYURHXLACZBYLP-QGZVFWFLSA-N 430.486 1.816 30 10 IDEE CN1C(=O)C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(Cl)cc1 768943611 UCMTYBDOVFQFQB-CJGIQCGSSA-N 431.880 1.437 30 10 IDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1cn(CCCC#N)c2ccccc12 774079101 MDVDULZGNZMWBM-SFHVURJKSA-N 432.502 1.947 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCCn2ccnn2)C1=O 790751967 ZDNXEWBQAPHSDO-HNNXBMFYSA-N 435.579 1.429 30 10 IDEE N#Cc1ccc(OS(=O)(=O)C2CCS(=O)(=O)CC2)c(I)c1 798471134 CKFWKHUWJATSFO-UHFFFAOYSA-N 441.268 1.449 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cccc(OC(F)(F)F)c2)N(Cc2cnn(C)n2)C1=O 807939905 UAXPASBLFKINRF-CYBMUJFWSA-N 442.423 1.982 30 10 IDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812441899 ILLRZBPBDNVWGM-ROUUACIJSA-N 429.546 1.844 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccccc2F)n[nH]1 1084178728 BFKRHVMQLCMUQP-UHFFFAOYSA-N 432.485 1.926 30 10 IDEE N#CC(N=Nc1ccc(S(=O)(=O)O)cc1O)=NNc1ccc(S(=O)(=O)O)cc1O 1084179766 LCDGQPJZWQNIQC-UHFFFAOYSA-N 441.403 1.624 30 10 IDEE N#Cc1cccc([C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CCO2)c1 1137993896 DUWIFPHSFUPCTP-RBUKOAKNSA-N 440.887 1.786 30 10 IDEE C#CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC 1141995140 JGBYGWKZPZVYMY-QGZVFWFLSA-N 444.465 1.553 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1144026752 KLZSINDJVKLONZ-MOPGFXCFSA-N 432.565 1.448 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2c[nH]c(C)c(OC)c2=O)s1 1149699871 JHWBDIRNPGFQDJ-UHFFFAOYSA-N 425.532 1.419 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCOCC1 1159206925 CTYODTOHERQODP-INIZCTEOSA-N 441.937 1.310 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@H]1CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1160017611 SFVPBKWKXKHJPK-AOMKIAJQSA-N 445.520 1.754 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)o1 1174600557 IGTULJCSWUDGTN-UHFFFAOYSA-N 436.472 1.439 30 10 IDEE N#C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1197629390 GJFSGEWUXOXQQV-AWEZNQCLSA-N 426.926 1.535 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1264131839 FMRJSOWTOUQZRL-SFHVURJKSA-N 439.534 1.516 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286298741 OHGIAUGGDYGSCI-YRXWBPOGSA-N 429.544 1.976 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1286383258 WOCOBSRPHUSJQY-HNNXBMFYSA-N 427.958 1.576 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1286387255 OYOXHVWBQFIWHD-SFHVURJKSA-N 448.570 1.173 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCCC1=O 1286407108 CTEITCYEMNRCDS-UHFFFAOYSA-N 436.516 1.871 30 10 IDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286697856 UPERNIAKFGGQNT-UHFFFAOYSA-N 425.537 1.287 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286787093 OBVRGROIXYVLDQ-KDURUIRLSA-N 437.504 1.283 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCOC2(CCOCC2)C1 1286789491 DZZWTRGUCYZZDM-UHFFFAOYSA-N 441.532 1.588 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1F 1286814057 JBAQTZSDUBHSOO-UHFFFAOYSA-N 435.525 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286814683 DSGDTRSFRJTKMM-HXUWFJFHSA-N 449.964 1.916 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCS(C)(=O)=O)CC1 1288983329 PFCVIFSVMAUZER-UHFFFAOYSA-N 436.582 1.859 30 10 IDEE CCC[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293897649 YHWKLVLXISZXLS-KIJUOZEOSA-N 429.525 1.665 30 10 IDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298332576 PMGAPOBCDIRSKX-ZBJSNUHESA-N 449.515 1.807 30 10 IDEE COC1(C(F)(F)Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1299739862 QQHAZVPHALFJNX-HNNXBMFYSA-N 440.495 1.827 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300489999 XASPMAIDTSWQHA-UYAOXDASSA-N 443.573 1.293 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1300491231 FJEZNNDVHZJBFY-KRWDZBQOSA-N 445.574 1.313 30 10 IDEE C#CCN(c1nnc(CC)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300498527 LGBGZOVYFBEQKU-HNNXBMFYSA-N 425.555 1.382 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1300556631 KLUQOJREJBNJCS-GOSISDBHSA-N 428.562 1.687 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1300700409 OQXAJUPHJNEVIW-UXHICEINSA-N 448.637 1.056 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300756480 OFXMDVBMWLXNSR-ZDUSSCGKSA-N 439.563 1.242 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1300989805 GRYBUACXBZBWHE-OALUTQOASA-N 437.610 1.838 30 10 IDEE C#CC1(O)CCN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 1301218762 AFQSBDQVGDCHNN-UHFFFAOYSA-N 442.541 1.143 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC(C)(C)[C@H]1C 1301498398 NNPZPQGPFNFCRD-CQSZACIVSA-N 437.504 1.900 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CN(CC(C)C)CCO2)C1 1301565839 GUSUTGXDVVVWKT-VQTJNVASSA-N 446.596 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1301587020 QOKCXZNRTPOQDO-UHFFFAOYSA-N 438.598 1.463 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1301861930 BJOUANVYBSCQGD-JXFKEZNVSA-N 432.525 1.867 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCC(O)CC1 1302054804 VBWXTKSLAWNCCJ-AVRDEDQJSA-N 434.585 1.979 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)CCCO1 1303403830 IPSPRLWBIKYZGH-JOCHJYFZSA-N 438.536 1.579 30 10 IDEE CS(=O)(=O)C1CCC(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1312485354 KEVBITMKBLLFAD-NKELODKYSA-N 432.546 1.956 30 10 IDEE COc1ccc(O[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1315517783 HEZGTNQXUXYRSX-VQIMIIECSA-N 440.504 1.719 30 10 IDEE COCCN(C)CCCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1316062380 DWVJYXBJIHRYAG-UHFFFAOYSA-N 426.569 1.963 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nn1 1348353660 BCBGJBOWNXACLG-UHFFFAOYSA-N 440.323 1.373 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358875000 HPGDMBRXNNFOBX-YDHSSHFGSA-N 446.596 1.331 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1358958008 FPFYBHBHOPUXGZ-IBGZPJMESA-N 443.573 1.660 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358961879 GQSHIVRVZPSNSB-MRXNPFEDSA-N 431.518 1.082 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2ccco2)CC1 1359036817 KCLHDOOXOHCQHA-UHFFFAOYSA-N 436.491 1.786 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359057159 UDAMVSOELRSWBN-ZWKOTPCHSA-N 432.594 1.731 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1359064009 JFEMUTZMCKRLEH-GDIGMMSISA-N 437.591 1.850 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCN(C(C)C)CC2)C1 1359319380 YCDYQNQTVPIAMR-IBGZPJMESA-N 429.569 1.695 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359492129 BTTVDDUGBYPROP-MSOLQXFVSA-N 435.532 1.694 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359630966 KJSBUOSCCJOPAN-SFHVURJKSA-N 444.561 1.602 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1CCc2ccccc21 1360712946 DSBOMXZTOWIHPU-SZMVWBNQSA-N 444.561 1.737 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 1361176507 OVTSQLUMFHLFRY-SFHVURJKSA-N 441.532 1.619 30 10 IDEE COc1ccc(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)nn2C)cc1OC 1439798176 BIFNGRUDOJLETB-VBKZILBWSA-N 430.486 1.115 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3csc(I)n3)CC2)c1C#N 1459030472 HCKHKWSUKNRQNW-UHFFFAOYSA-N 442.286 1.624 30 10 IDEE N#Cc1c(CCCNC(=O)NCC2(C3(O)CCOCC3)CC2)nn(-c2ccccc2)c1N 1471400916 BHTGFUKHEWAYGH-UHFFFAOYSA-N 438.532 1.880 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1471750014 BSLMVGAXORIJHQ-QZTJIDSGSA-N 433.530 1.441 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)CCOC1 1473658820 QMBROAXYAFPXGS-AUSIDOKSSA-N 428.533 1.580 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCNC(=O)OC(C)(C)C)CC2)c1C#N 1492728015 PQUBJZAGJKHKPY-UHFFFAOYSA-N 443.556 1.742 30 10 IDEE CCCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1501210401 MLWKJVXRNOFQGX-UHFFFAOYSA-N 432.488 1.325 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1503373682 DEXVKZYSZCZVET-OALUTQOASA-N 435.532 1.648 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1503406996 RPCUYAFEHPKLNJ-UHFFFAOYSA-N 427.490 1.259 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1nccnc1C 1504995235 QJNJWXFDCPICMU-HKUYNNGSSA-N 440.552 1.520 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1507624428 ADTBALMUWPCBEO-GOSISDBHSA-N 445.545 1.214 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1507752564 BOIXQYSATPYFKS-UHFFFAOYSA-N 431.484 1.661 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1509583362 GDEZNMKPJZDSBT-UHFFFAOYSA-N 430.534 1.502 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1C 1510954735 CXAJTIKEYLYYMK-UWJYYQICSA-N 447.561 1.762 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)C(=O)N1c1cnn(C)c1 1514697555 BUPTXCHXTCLFTR-IAQYHMDHSA-N 432.278 1.743 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1517709192 HJCNIEKXWCHCIP-NRFANRHFSA-N 426.477 1.511 30 10 IDEE COCC[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1519014266 IFLUFZMMSIZLMP-SAZZCXPWSA-N 430.509 1.519 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1519391584 ABZRRHXHWKLVOI-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)[C@H](C#N)C1 1525126785 GWNFWHLXOYZERC-GFCCVEGCSA-N 443.426 1.946 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1535344710 GUVDCEDDFJLMAQ-IFXJQAMLSA-N 425.844 1.783 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CN(CC(C)C)CCO1 1539002667 GOZJNNCURIZDNH-IRXDYDNUSA-N 428.537 1.821 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCS(=O)(=O)C1 1539338550 WNRWWFAXQGFUJW-QYZOEREBSA-N 434.562 1.290 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCC=C)CC1 1539434699 TVTOVZYQAVTRIZ-UHFFFAOYSA-N 446.353 1.104 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC[C@H]2CCCCO2)CC1 1539476660 CRNOGUWKTFGKPI-HXUWFJFHSA-N 439.564 1.994 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)N(C)C)CC1 1539477482 OCAWYTAIAZVVIB-RTBURBONSA-N 443.596 1.171 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1539517887 SYFOEWVFRAQBDU-QGZVFWFLSA-N 432.594 1.875 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539742567 GHXVSIYRXUPWIS-UHFFFAOYSA-N 439.564 1.642 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540867737 FWXLLYZFQFVUFA-UHFFFAOYSA-N 431.504 1.179 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1541088534 IOQALMQJYLPEFB-LAUBAEHRSA-N 437.548 1.500 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1541800752 GQXFMZXPXQOYQH-MRXNPFEDSA-N 440.504 1.704 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(O)cc3O2)cc1 1544463326 VTFUXVWDHFOOSN-LOFJQREMSA-N 431.470 1.984 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC(C)(C)O1 1544755878 OFSPBWSFCUVGLE-OAHLLOKOSA-N 432.550 1.760 30 10 IDEE CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1552412066 WZUQEACSDISUAW-CEXWTWQISA-N 444.561 1.812 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1552920024 GLOOICRNBDBUCF-MOPGFXCFSA-N 445.545 1.636 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)cc1 1554897086 ICOZGKPFRBFKLD-NRFANRHFSA-N 440.548 1.523 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1555626351 JLANOLRCERNNIZ-HNNXBMFYSA-N 427.571 1.955 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccncc3)n1CCOCCCO)C2 1555987424 HJDAOYFYOLLBES-UHFFFAOYSA-N 435.488 1.198 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(-c2nnco2)cc1 1556482186 TVPLRIYSGIFLRU-UHFFFAOYSA-N 425.470 1.872 30 10 IDEE CCc1c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1557917912 RKUXQDZFBSQWCQ-QHCPKHFHSA-N 432.484 1.287 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(F)cc1F 1565451444 ZCWPYGCJXIPWND-XGINMYPSSA-N 435.456 1.367 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1587847541 MWYIDAUODWAXAF-OAQYLSRUSA-N 443.577 1.614 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cn(C2COC2)nn1 1588276648 UESXLIPFGMGNAY-UHFFFAOYSA-N 445.325 1.717 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCC(=O)N1CCOCC1 1588620287 SAOXCAZRXIMZSW-UHFFFAOYSA-N 427.505 1.289 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCCOC)CC1 1588805716 ATVGAOXKTDWHEW-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@H]1C 1589052968 BNBPLIZQCPGACB-CQSZACIVSA-N 430.534 1.429 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1594813601 VDNQXKOYOLDECN-MSOLQXFVSA-N 441.598 1.686 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1595571745 KPYHSVLFOAEZSR-UHFFFAOYSA-N 428.898 1.051 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc3n2CCCCC3)C1 1595665636 YTSAEXUUURMWIT-INIZCTEOSA-N 428.541 1.564 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1596869988 UHMPPQBPTJWKKU-MDZRGWNJSA-N 447.561 1.880 30 10 IDEE CN(C)c1ccc([C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)N(C)C)cc1 1603554693 IXRRGLOJSGADBN-LJQANCHMSA-N 443.573 1.600 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1619239338 AZAJTNGVKQVNMV-LEWJYISDSA-N 441.532 1.996 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 1623722493 YNYOBERNQSVWII-BRWVUGGUSA-N 430.567 1.898 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1624815757 AACHZCFYSALZBX-HOYKHHGWSA-N 432.480 1.926 30 10 IDEE C#CCOc1ccc(CNC(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)cc1 1626855873 FXSPWPCZSUMIAL-UHFFFAOYSA-N 425.441 1.932 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3c(c2)COB3O)CC1 1627454785 LXVSUUMSRINPNH-IBGZPJMESA-N 440.106 1.689 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)nc(C)n4C(CO)CO)cc2C1=O 1627533425 UEPQTPKTRFQNEZ-UHFFFAOYSA-N 434.452 1.905 30 10 IDEE C[C@@H](O)c1cn(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)nn1 1632463008 AMGVRYMTFHGLQA-IVASOFTHSA-N 430.509 1.502 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2cnc(C(F)(F)F)c2C1 1633344045 FMFIVKXZUSJVCA-LLVKDONJSA-N 427.408 1.483 30 10 IDEE Cn1cc(N2CC[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2=O)cn1 1634126553 DMNVXIRESPDFGR-QYSXUHOCSA-N 442.520 1.428 30 10 IDEE N#CCc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1638989534 WLQKNVVNDKGIEM-UHFFFAOYSA-N 429.498 1.899 30 10 IDEE O=C(NO)c1ccc(CNC(=O)c2ccc3ncc(I)n3c2)cc1 1639591246 SPXFGLHTKNIZNE-UHFFFAOYSA-N 436.209 1.988 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1641970191 BAEVICCUYGRKRR-OAHLLOKOSA-N 431.493 1.364 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CCO[C@H]1C(=O)OC 1643797073 MRDNNIWJNZZUAA-MLGOLLRUSA-N 441.278 1.793 30 10 IDEE N#Cc1cnn2c(O)cc(CN3C(=O)c4cccc(Br)c4S3(=O)=O)nc12 1644283181 IFPYSHNNIVBOPA-UHFFFAOYSA-N 434.231 1.414 30 10 IDEE C#CCN(C(=O)COCc1ocnc1C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1644789349 DSMJXLQMWXSWPB-UHFFFAOYSA-N 435.477 1.839 30 10 IDEE N#C[C@]12CN(C(=O)Cc3csc(NC(=O)c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1648155318 CTVRZKIQUBHWND-IFXJQAMLSA-N 430.511 1.335 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1649674927 FKEHYTRVCMDPTC-UHFFFAOYSA-N 425.537 1.357 30 10 IDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NC[C@H](O)C(F)(F)C(F)(F)F 1650957384 CDZSMOBJJKFEIX-NSHDSACASA-N 434.308 1.920 30 10 IDEE COc1cc(C(F)(F)F)nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1654950616 HEUUYPKGHIBTRI-UHFFFAOYSA-N 427.408 1.887 30 10 IDEE CC1(N2CCOCC2)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1655280434 HTGZHWTYLBELEL-LJQANCHMSA-N 431.606 1.644 30 10 IDEE C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCOCC1 1666000987 OMUOJHKLPCLCGC-HXUWFJFHSA-N 435.546 1.076 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1689948522 YNZZLUJPOQZXIJ-WZONZLPQSA-N 443.523 1.871 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689986159 JVVZRUOMYJBFJV-SJORKVTESA-N 446.577 1.215 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1690056459 SZUHIBIQVYPFJX-MRXNPFEDSA-N 425.541 1.377 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C(C)C 1690104052 LMEZXRQVPVTKMM-IBGZPJMESA-N 427.505 1.649 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[S@@](=O)C(C)(C)C)CC1 1690142419 NSZNDWZPMVBJTL-WJOKGBTCSA-N 444.605 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCn2nc(C)cc2C)CC1 1690144134 MUONOTDUTYWKHZ-UHFFFAOYSA-N 447.547 1.605 30 10 IDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690510076 RYNJYGMYYAYHNG-UHFFFAOYSA-N 441.561 1.883 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690664195 LBCPWBDCQVTQRQ-UHFFFAOYSA-N 446.577 1.328 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CC2)C1 1690688281 RUHHBPGMGCBKDW-KRWDZBQOSA-N 447.561 1.502 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1691004156 PEOVAPNOVLQHHO-BRWVUGGUSA-N 425.555 1.219 30 10 IDEE CC(C)(O)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1691350591 HOVWVMOOBBMKHU-SFHVURJKSA-N 447.499 1.930 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cccc(F)c1 1692801925 NRXSIARQYRESOI-WMLDXEAASA-N 436.513 1.389 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1696756985 NBXMHYLKMHIFNK-YGCDDZCOSA-N 437.504 1.729 30 10 IDEE COCCOCc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698210391 VXYDBENHTDDRLB-IBGZPJMESA-N 435.488 1.675 30 10 IDEE C#CCCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705514780 ISAXPLILKYXFPR-UHFFFAOYSA-N 431.566 1.512 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1N1CCOCC1 1705546554 LYTOHKKRJFJYCT-QHCPKHFHSA-N 425.533 1.885 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705559614 DHDMCOKVEHILEI-CVEARBPZSA-N 439.582 1.943 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1CC2(CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 1705568750 UQDLDBAAUYTZMD-SFHVURJKSA-N 436.578 1.648 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1705570779 QTSLIHUXYXZEKX-IBGZPJMESA-N 443.573 1.511 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(CC)CC1 1705603689 TWGKJYIRMUEDBJ-FKBYEOEOSA-N 442.608 1.491 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1705629654 PYQWTWPCIKJEMG-UHFFFAOYSA-N 447.543 1.630 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)[C@H](OC)C1 1705679186 DXNOATUMVAKCPF-OKILXGFUSA-N 430.347 1.955 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1705716094 ZCHWHXMHHMIUKE-QGZVFWFLSA-N 432.550 1.588 30 10 IDEE C=C(Cl)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705759774 UUMGERWBIRXKHD-INIZCTEOSA-N 444.923 1.373 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1705909297 SOIVEROPDUQACV-SQGPQFPESA-N 444.580 1.700 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCS(=O)(=O)CC2)cc1 1705909809 ITQBYEQRWXBJPT-UHFFFAOYSA-N 433.534 1.264 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@@H](C)[C@@H]1C 1705927813 GXWAFAMTGJQNGU-GJZGRUSLSA-N 427.596 1.445 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705937464 UQGOGHDKRFWOIQ-GOSISDBHSA-N 446.577 1.360 30 10 IDEE CC(C)=CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1706212216 ZDUJWMIQFRHEJW-SFHVURJKSA-N 449.515 1.232 30 10 IDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1710543715 OYCPZDXLOXVURK-FCEWJHQRSA-N 440.504 1.824 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1712696144 RJJCNISWJXTOLR-RBUKOAKNSA-N 445.545 1.494 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1722291460 QQXJXLPHIGZNBQ-DOTOQJQBSA-N 429.525 1.826 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)C2CC2)c1 1722310110 SOAONMKQRRXJHZ-RTBURBONSA-N 436.516 1.710 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722339581 XHALXWOUOWOYMW-UHFFFAOYSA-N 436.582 1.112 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722364892 BPDDTACXNYKMGU-IYWMVGAKSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(N)=O)c1 1722387104 RUIBVNYSOGUWJB-UHFFFAOYSA-N 432.509 1.490 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1722400753 YKSFXZNLIABJGC-FCHUYYIVSA-N 426.609 1.909 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCn2cc(C)nc21 1722428192 XCIRQOHGLPYZGA-GOSISDBHSA-N 425.537 1.569 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722508501 SMGOYPNKUOUHJA-YZLZLFLDSA-N 430.553 1.705 30 10 IDEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1722589583 UXZHXLYUCFTUMY-UHFFFAOYSA-N 435.598 1.824 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1722640081 ITTBFWHREQAJJI-WIYYLYMNSA-N 449.577 1.531 30 10 IDEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1728420163 CEPWWORAXOAUGN-UHFFFAOYSA-N 446.577 1.695 30 10 IDEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1728704912 CLRNDNBFBLIBGX-JKSUJKDBSA-N 428.497 1.625 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(C)cn1 1729195352 AYQMGSDIJIBSHJ-UHFFFAOYSA-N 427.534 1.893 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740575181 QVCWOWCKBGXZJS-HOTGVXAUSA-N 434.522 1.253 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740575941 WWLGAFYUAXDPTR-SJORKVTESA-N 442.607 1.387 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740623950 AIPBMISBXOAYDA-LSDHHAIUSA-N 438.500 1.809 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1740685825 MYDWOXWOVWNAIG-GOSISDBHSA-N 437.610 1.388 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC1 1740687271 XLSIYPGBEJVYEA-UHFFFAOYSA-N 430.578 1.585 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N(C)C)CC1 1740706725 AQNQBTGLAWMQCE-KRWDZBQOSA-N 426.540 1.924 30 10 IDEE C=CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnn(C)n1)C1CC1 1740906048 DRGQDOSVCMYBAK-UHFFFAOYSA-N 427.900 1.588 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740999403 GWOHPZUIALZRDV-HNNXBMFYSA-N 439.549 1.791 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1741002457 INYXIUUBSXARKY-AWEZNQCLSA-N 433.625 1.083 30 10 IDEE CCc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744648632 ZEEHUYZZKGEHJV-SHQVNNEXSA-N 440.479 1.604 30 10 IDEE Cn1cc([C@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)cn1 1748012462 BJHOBJWASPLPDA-GOSISDBHSA-N 440.533 1.441 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748774053 QDQCBAQCZKOLJO-MRXNPFEDSA-N 439.545 1.686 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1748809023 PHUACUBJXMYTTB-SIKLNZKXSA-N 439.541 1.604 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748817844 RKDFOYJVRIIEKF-MOPGFXCFSA-N 444.557 1.856 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2cc(OC)ccc2n1C 1748930004 VPSWSAFJLWMHBT-OAHLLOKOSA-N 442.545 1.583 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CC=CCC2)CC1 1748984347 KEGTYVFTGMJWET-UHFFFAOYSA-N 436.560 1.979 30 10 IDEE C=CCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749440388 ZKRWXNSMTFUVLY-LJQANCHMSA-N 427.571 1.367 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1749590739 DZVFNAJBINWLLO-MJGOQNOKSA-N 428.537 1.778 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749681218 YNOLQQCBRBRHMW-KSFYIVLOSA-N 445.495 1.683 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749683288 OKMYOZMSBPBTGH-QGZVFWFLSA-N 445.593 1.773 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@H](C)C1 1749721555 NLLYEDIWLCLTOJ-GASCZTMLSA-N 427.571 1.411 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749743975 CFVLXWLNYHZBQV-JYJNAYRXSA-N 428.628 1.480 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749884160 GLDRSIAUUAYJPD-JOCHJYFZSA-N 436.495 1.423 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1750005290 ALEMRLJBOFUYOK-MJGOQNOKSA-N 442.520 1.389 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@](C)(O)c1ccsc1 1751207250 ARZXAUCEKYPYQV-SCLBCKFNSA-N 438.579 1.597 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760188680 QFLDTKSVDSWWAT-RTBURBONSA-N 437.610 1.877 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760190499 WZHCNFOREOOKLC-LJQANCHMSA-N 442.589 1.761 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1760191209 CXDOYPVVXOQLIU-LJQANCHMSA-N 442.589 1.979 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2o1 1760194182 CTBASWXPLVDHFC-MRXNPFEDSA-N 425.514 1.950 30 10 IDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760274397 JIUNXJOIGQTPLI-HOTGVXAUSA-N 425.555 1.645 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1760317838 BBYCHPNJJJPNOU-YLJYHZDGSA-N 426.521 1.616 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760449404 IPMJBRJONUMOML-HZPDHXFCSA-N 445.524 1.906 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760453126 OSPBCYHXWCMFFA-XMSQKQJNSA-N 433.553 1.722 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760517221 GTDKCLNRKOOCIG-HNNXBMFYSA-N 428.493 1.533 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)C)C1 1760554950 RSCCMZCPNOYVDM-HZPDHXFCSA-N 430.596 1.263 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C(C)=O)CC1 1762225482 FSRWBARXPUDCLX-UHFFFAOYSA-N 444.584 1.101 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCCS(C)(=O)=O 1764910286 OEAISHYHAMFYCX-UHFFFAOYSA-N 431.566 1.649 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)C1 1766714955 IVJQLTLYQPUBRN-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE CCO[C@@]1(c2nnc(N(CCS(C)(=O)=O)C3CC3)n2Cc2ccc(C#N)o2)CCOC1 1767415186 JZUSNTFMHYHNMP-FQEVSTJZSA-N 449.533 1.457 30 10 IDEE 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N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)C3CC4(C3)CC(F)(F)C4)C(=O)O2)CC1 1856596062 CKLVCMKWWOYXOQ-CQSZACIVSA-N 431.461 1.725 30 10 IDEE COc1ccc(/C=C/C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1OC 1860633946 DBDIBLMCODXIFX-ZZXKWVIFSA-N 426.429 1.938 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(Cl)c1 1865729799 SPLXBPDJSBIQMJ-OAHLLOKOSA-N 442.903 1.633 30 10 IDEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871507654 SFJXOCPKAZPRDJ-INIZCTEOSA-N 445.549 1.454 30 10 IDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562421 BXXVBPAIDJBOLQ-UHFFFAOYSA-N 441.536 1.283 30 10 IDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)c1 1891738906 XRGLKBHQFLIZBV-MSOLQXFVSA-N 432.546 1.775 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085662338 XGYXWKJUQJEPBA-GJZGRUSLSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]21 2124532924 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C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255697615 JMSJETXAPXJTHZ-INIZCTEOSA-N 425.342 1.461 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255833526 FAAJDYMCJYICMM-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098121 WEVBJYAWLJXPOY-MYPMTAMASA-N 448.329 1.119 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)n1 2267115794 LNSZEOAVMHHUAS-ZIAGYGMSSA-N 447.345 1.196 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267275597 PWCZGTLOXYQHQT-JLCFBVMHSA-N 444.341 1.763 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)n1 2267546536 YCFQQSXWPZIJBD-HDJSIYSDSA-N 449.361 1.680 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2267609551 RYPSZVIRJSLNEC-UHFFFAOYSA-N 442.247 1.307 30 10 IDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCCC1 2286042400 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IDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 409532006 BLBSDHOBJXIWAK-INIZCTEOSA-N 440.566 1.556 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 433224646 BQVLZWFAGIHZFV-AVRDEDQJSA-N 439.516 1.011 30 10 IDEE CN(CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)S(=O)(=O)c1cccnc1 438617948 GTBHZAMQDMYLLB-UHFFFAOYSA-N 429.502 1.475 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CNS(C)(=O)=O)CC1 460782100 HYPWASRYNPBWLE-UHFFFAOYSA-N 426.587 1.538 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)C2)cc1 461738962 BSAQVMXARQLEKK-PWIZWCRZSA-N 445.541 1.258 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)CC1 466533201 ZNEGCZSIDSDVOH-HNNXBMFYSA-N 428.493 1.436 30 10 IDEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 471652101 IBGLUVPMQQQGPQ-UHFFFAOYSA-N 443.348 1.867 30 10 IDEE C[S@@](=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 475610621 XAULELSNNIURIN-MUUNZHRXSA-N 432.527 1.834 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nnc(CC#N)n1C 477071786 GOJRORWJUBDTMB-LLVKDONJSA-N 438.535 1.259 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@@H]2CCCO2)c1=O 478755807 UBLYHWCCDWYVFN-INIZCTEOSA-N 428.558 1.814 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C2=O)cc1 485764855 IDOJWNFBUGVLEM-OAQYLSRUSA-N 449.536 1.932 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 505930373 NJAFDVHQCJKTHT-LJQANCHMSA-N 442.545 1.102 30 10 IDEE CCc1c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cnc2c1c(=O)n(C)c(=O)n2C 513779652 IPJJFTHETHEHGR-KRWDZBQOSA-N 446.511 1.045 30 10 IDEE COc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 550125483 RIXMYORRRDPKPM-IFXJQAMLSA-N 438.459 1.800 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)C)CC1 559096545 GHAKMCQWOHXATM-UHFFFAOYSA-N 426.565 1.958 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 563328458 KXKNNAZHMJEHOS-PMACEKPBSA-N 445.479 1.092 30 10 IDEE CN1CCN(CCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H](c2ccccc2)C1 585720485 CUPUCCUMYWFCMZ-QFIPXVFZSA-N 437.519 1.809 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(C(=O)NCCN(C)C)c3)cc2C1=O 589388405 CGLXIJWKXVAVLM-UHFFFAOYSA-N 434.496 1.690 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2)c1=O 603798323 YYIWUAJKNTVTDU-UHFFFAOYSA-N 431.517 1.569 30 10 IDEE COc1ccccc1N1CCN(CCCNc2ncnc(N3CCOCC3)c2C#N)CC1 675017450 CLDMDGZMGKCAQQ-UHFFFAOYSA-N 437.548 1.818 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1F 743229424 HMHFXTUGGOLYRZ-CJNGLKHVSA-N 431.468 1.711 30 10 IDEE N#CCn1cc(NC(=O)C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cn1 746447045 QPIWBKPFGCZTAB-UHFFFAOYSA-N 431.294 1.452 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)c1cc[nH]n1 772155296 HBGHEXWWWZKOGT-GJZGRUSLSA-N 429.477 1.946 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2ccccn2)cc1 772525065 LNMAGOAVRRGUGI-PLRJNAJWSA-N 443.529 1.582 30 10 IDEE C[C@H]1C[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 775849041 HSELKLFXBCFIDK-DOJYXZBASA-N 438.576 1.046 30 10 IDEE CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 777174390 SJSGZQRZCPUAQO-UHFFFAOYSA-N 426.517 1.457 30 10 IDEE NC(=O)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC[C@H]2CCOC2)cc1 784126590 ZBFXQGGRQMMDRC-SUMWQHHRSA-N 430.530 1.812 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(-n3nnnc3SC)c2)n1 788566321 VGZKCQZCIROJNG-UHFFFAOYSA-N 426.506 1.894 30 10 IDEE Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 789569710 CZCQSRFHCNUUPA-PFONDFGASA-N 439.241 1.478 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 790107384 BWMGDCUMDKVWQS-IBGZPJMESA-N 427.524 1.841 30 10 IDEE COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802450322 UMCRFAZXMNYMEA-KRWDZBQOSA-N 430.534 1.172 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 825186005 UVWQCRHTWAEPFW-QGZVFWFLSA-N 436.530 1.762 30 10 IDEE C=CCCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 921164675 FWGKICKSKBJEET-INIZCTEOSA-N 444.575 1.213 30 10 IDEE C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 921218505 XXTCCTYXSFCKFS-CFINBHSISA-N 436.530 1.656 30 10 IDEE COC(=O)C1=CN2[C@H](C(C)=O)[C@@H](c3ccc(Br)cc3)[C@](C#N)(C(N)=O)[C@H]2C=C1 1076383100 VHFCSBCOOHCAMV-WOCWXWTJSA-N 444.285 1.796 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1152605441 LNASJYLJCYQXIZ-AEFFLSMTSA-N 427.505 1.720 30 10 IDEE Cn1nccc1[C@@H]1C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1158230321 OYJTXPAQUSNZQN-PBHICJAKSA-N 431.518 1.275 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 1214206130 ZHPBFKXHSAFMNX-ZOBUZTSGSA-N 439.559 1.466 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 1230853280 NUUWOPDACRYQOQ-INIZCTEOSA-N 429.546 1.128 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1286306727 XHSANZVSSFNJDR-SOUVJXGZSA-N 440.570 1.056 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nnc2n1CCC2)[C@H]1CCS(=O)(=O)C1 1286393187 KSMXQPNCNIUOFY-HNNXBMFYSA-N 431.566 1.079 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccc(N2CCOCC2)n1 1286467282 SNIPSCXBXOMLRK-UHFFFAOYSA-N 447.543 1.630 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@H](O)C2)CC1 1286484985 STETWOPHXYEPOF-ROUUACIJSA-N 442.589 1.576 30 10 IDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1286593028 GPYVGEVLUVYEJC-QZTJIDSGSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 1286786050 MZEVPGSTJGPJBV-PRXAMGSTSA-N 427.336 1.552 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 1286949347 IMAVQZVDHRSFSD-FQEVSTJZSA-N 426.521 1.973 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1286959301 FHKWAQUZBCJJKD-IAGOWNOFSA-N 449.519 1.922 30 10 IDEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1288662561 BYFHPLCUODAPKM-GOSISDBHSA-N 431.548 1.807 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2c(F)cc(C#N)cc2F)C1 1288730708 LZZHSNJZUOTVBA-CYBMUJFWSA-N 443.472 1.990 30 10 IDEE Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)s1 1289855558 FXPCWYRQTLSNNR-HIFRSBDPSA-N 438.579 1.869 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1291804483 QDWDMNWXNMECIA-WAIKUNEKSA-N 435.532 1.838 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1298094061 RQOYCMYGKBLMPB-HSZRJFAPSA-N 440.548 1.924 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 1299188166 OIAZURIIGGKYPV-CQSZACIVSA-N 431.426 1.575 30 10 IDEE N#CCCN(C(=O)CCC(=O)N1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1 1299742939 ADAUWFBBNKZUTI-UHFFFAOYSA-N 441.532 1.746 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300421507 IQGGTFMMGHAUNF-UHFFFAOYSA-N 438.580 1.298 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1300496027 MXXWKEVCEHETQX-ROUUACIJSA-N 438.594 1.862 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1300503544 DNNPXESACGQTHZ-DLBZAZTESA-N 446.529 1.281 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1300506359 RAOVMWJPDWDTLS-UHFFFAOYSA-N 432.528 1.472 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1300539045 WXQCEPHYXIKYDK-IBGZPJMESA-N 440.525 1.347 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1300556484 IEHYUYZUDWFTOR-QGZVFWFLSA-N 433.578 1.558 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1300602012 NLHCNJUYJYSAEF-AWEZNQCLSA-N 436.607 1.926 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1300603309 YXWBIQUMXQJEKX-HNNXBMFYSA-N 432.550 1.549 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnc2n1CCC2 1300655471 YYJIRCHNWRSRJT-UHFFFAOYSA-N 437.504 1.634 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1300754840 WUIWAALBNDQLBH-QGZVFWFLSA-N 429.546 1.661 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCNS(=O)(=O)CC 1300808270 KOGGSQCQSDQOFG-OAQYLSRUSA-N 431.562 1.809 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCO1 1300875732 QAGMDZKDCUOULV-TWMKSMIVSA-N 427.571 1.485 30 10 IDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1301397096 MRHHRUOHOPYBGX-GOSISDBHSA-N 433.582 1.742 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1C(=O)NCc1ccc(Cl)cc1 1301520639 KMAHWVQQAWRHPF-UHFFFAOYSA-N 428.884 1.641 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCCCC2)CC1 1301589115 NTXBXPKXKPRQHP-GOSISDBHSA-N 437.610 1.838 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301651389 BYROGPIMNFQXLX-NRFANRHFSA-N 426.477 1.796 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1301757973 FBNMNXOUMGLFGR-UHFFFAOYSA-N 435.532 1.659 30 10 IDEE COCCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)cn1 1301857726 PXXJPEROJVSJEB-ABSDTBQOSA-N 433.488 1.335 30 10 IDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1302530151 BUZVOZNGOKTJHR-UHFFFAOYSA-N 444.598 1.530 30 10 IDEE CSCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302765495 PKAWTZVZDBIZMT-QGZVFWFLSA-N 440.577 1.966 30 10 IDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CC1(S(C)(=O)=O)CCCC1 1303347021 GYVDNHVYEAAYAX-UHFFFAOYSA-N 436.582 1.904 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccc(O)cc1 1303833002 CGTLHROZSCNYPQ-OAHLLOKOSA-N 432.550 1.967 30 10 IDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NCCCN2CCCCCC2=O)C1=O 1307295874 QJHVTMCBPGOVIM-JOCHJYFZSA-N 425.489 1.234 30 10 IDEE C#C[C@H]1COCCN1CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 1307830616 AGKLQMAAHFRXJO-VUVCFOEZSA-N 433.917 1.827 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)COC 1316183396 DXXQVAYRZDYKLK-HUUCEWRRSA-N 430.509 1.820 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1350510613 URDSKGZUEJDXJN-HXUWFJFHSA-N 435.502 1.017 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1358890938 XKKODFOUHWVOIU-AEFFLSMTSA-N 430.578 1.928 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C1CC1 1358971360 RNUOTNVEHCRNBQ-QFIPXVFZSA-N 440.573 1.780 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)CC1 1359047042 OQFIINMCHBYJDL-UHFFFAOYSA-N 436.516 1.731 30 10 IDEE C=C(Br)Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359088588 OLMPRQPXUQPKFZ-KSSFIOAISA-N 442.358 1.929 30 10 IDEE C=C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNS(C)(=O)=O)CC1 1359163449 FMUUOYHYQICGPJ-UHFFFAOYSA-N 427.534 1.836 30 10 IDEE COC(=O)CCN(CC#N)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1462273524 UDMZVVVEMPOMOQ-UHFFFAOYSA-N 436.262 1.741 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1464507671 SVQCIGBIYOQXNK-ZACQAIPSSA-N 428.551 1.488 30 10 IDEE C=CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@@H](C)COC 1473636805 JTGHNWBRSIMAMF-HNNXBMFYSA-N 445.969 1.822 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1F 1475392664 GHDLYUICMHMWNH-UHFFFAOYSA-N 430.505 1.873 30 10 IDEE C[C@H]1CN(Cc2ccccc2NC(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@H](C)O1 1475982297 ATIKXYUURBIXDV-GJZGRUSLSA-N 426.477 1.251 30 10 IDEE C[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493639349 SXISGUIKEYDTQW-BZROSYFNSA-N 441.536 1.553 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1499685470 JDBLVSQRQIZERF-ZJYNUGOYSA-N 426.477 1.988 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccccc1F 1505001630 UQFUCTUPJRXWSZ-HZPDHXFCSA-N 446.483 1.300 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1505018588 FZJPSSFNJYQXBG-KRWDZBQOSA-N 448.474 1.830 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1505135228 QOQOOBXNFXXBEC-SFHVURJKSA-N 444.561 1.448 30 10 IDEE CSC1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCN(C)CC1 1505195490 HCUMWTVTSGKNQX-LJQANCHMSA-N 435.573 1.670 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1507717398 BBSISCYQEGMKIL-UHFFFAOYSA-N 432.528 1.764 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)NC2CCCCC2)CC1 1507718838 IBVXAMJFOYRMRX-SFHVURJKSA-N 432.569 1.206 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(OC)CC2)CC1 1507731673 ODJSJVPYVCKDIK-JLAWEPINSA-N 435.594 1.141 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1507836034 URLKKUOMHPHLQL-UHFFFAOYSA-N 449.519 1.635 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 1508085243 FKJLSNAPXJOIDX-UHFFFAOYSA-N 447.561 1.193 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1508793183 JBCDCOCSNGGUFK-OAHLLOKOSA-N 439.586 1.181 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCC(F)F 1509658348 QXRIPLZGHQWHGQ-UHFFFAOYSA-N 435.435 1.233 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1515496809 XGTRPFLFEDSXNS-QGZVFWFLSA-N 441.536 1.285 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C1 1517511461 BPIVACDOGXMXMW-UZUQRXQVSA-N 438.532 1.852 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1519571743 CNCCUQDLNNPNRP-UHFFFAOYSA-N 430.534 1.250 30 10 IDEE Cn1nc2c(c1C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)CS(=O)(=O)CC2 1527044288 RPLGRWQJMAUTSO-UHFFFAOYSA-N 427.530 1.157 30 10 IDEE C=CCn1cc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cc2n1 1538559141 SCKUWJZXQRBPNT-UHFFFAOYSA-N 439.497 1.595 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539210589 CUJDMLAFAYQDSP-ROUUACIJSA-N 431.562 1.815 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1cc[nH]n1 1539251824 RNBIRAPJEMOUCM-UHFFFAOYSA-N 433.472 1.188 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1539324524 VLBAYYZRXVVXEL-GOSISDBHSA-N 442.564 1.992 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539624185 QSKVKOIODAXRSA-RLLQIKCJSA-N 441.532 1.886 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2cccs2)CC1 1539848153 LTUAFSDUJBNACC-OAHLLOKOSA-N 435.575 1.828 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1CC 1540037095 BASGWKUJUZEYNO-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1540868846 TZIVQWYQMKFDSM-UHFFFAOYSA-N 434.504 1.729 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(C)C1 1540897541 LQFKVPRXBDJDMT-HNNXBMFYSA-N 431.584 1.036 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540899696 XVYSKWCEDZHFFI-QFIPXVFZSA-N 443.573 1.967 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)Br 1545928629 FSHLPOFRKCBLMD-NSHDSACASA-N 435.273 1.913 30 10 IDEE CCOCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1548247117 FOGJXYVLSLFVHN-GOSISDBHSA-N 428.541 1.796 30 10 IDEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NC)C1 1548367691 FZXLHUMTRPHNQD-KRWDZBQOSA-N 434.422 1.870 30 10 IDEE COc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1555077871 CBMQHMTYAUDPTG-UHFFFAOYSA-N 427.486 1.625 30 10 IDEE C#CCN(C)CCCNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1563052776 IZIPOMPUHLLIGK-UHFFFAOYSA-N 436.354 1.804 30 10 IDEE CC#CC[C@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1563729184 XIFLFPFADYLPNS-GOSISDBHSA-N 426.496 1.516 30 10 IDEE CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566243539 BDSMLMYZFVZPBC-FUHWJXTLSA-N 437.924 1.825 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2ccc(CC#N)cc2)C1 1584780232 XZFSKVZJKYDBGP-DYESRHJHSA-N 433.530 1.651 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1587766555 WTKSFUIRRXHLJB-GOSISDBHSA-N 443.577 1.409 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1587803622 HZXJBXSMNMXIDS-OAHLLOKOSA-N 428.924 1.942 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1588029032 CKXIXBIGFJZXPB-MRXNPFEDSA-N 430.534 1.742 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1588030263 RWTMJOSTZKQDTM-DLBZAZTESA-N 430.578 1.976 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1588053391 DQUMKTCVSBKSGN-ROUUACIJSA-N 436.578 1.758 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cnnn1 1588218884 GPAIKXMOBQEJPK-UHFFFAOYSA-N 428.460 1.134 30 10 IDEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1588445026 DHAQAMNQFARILI-OAQYLSRUSA-N 432.546 1.483 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCCC2(C)C)CC1 1588885829 ZRJXZKSEATZNRJ-QHCPKHFHSA-N 444.580 1.323 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1589404006 FJWZVLLHZRTHRB-OAHLLOKOSA-N 441.374 1.339 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC(C)C 1589651873 IMVOGYRRSUFAOT-UHFFFAOYSA-N 438.554 1.736 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1594497638 LBDJPFGVDSOMLU-QGZVFWFLSA-N 447.609 1.843 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1594783823 JQAMVIRWUZHFSX-HZPDHXFCSA-N 429.587 1.732 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1595094766 YKUNWUXSWHBYEQ-AUSIDOKSSA-N 435.532 1.360 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2cncn2)C1 1595776487 ATYGWIOFZYSPKQ-GOSISDBHSA-N 427.534 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1595784119 CZDAEUGDATXZLW-INIZCTEOSA-N 446.577 1.379 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)COCCO2)CC1 1611771141 UUKWUIGRYOTMFS-NRFANRHFSA-N 425.493 1.861 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)CCOC1 1616261185 HBLVVNCTRQUYGT-LMVRJCEZSA-N 448.568 1.158 30 10 IDEE CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1=O 1618172062 YPFVPUCHVNHBJC-TXXWUTRGSA-N 429.542 1.950 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC1(C)C 1619516907 FWNLCPHJJWDUKL-LJQANCHMSA-N 438.532 1.927 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@@H](C)O1 1619753344 BOXAWEXOUAAKTC-APWZRJJASA-N 442.520 1.493 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1620110992 HOAIVNJXQZEMCX-YRPNKDGESA-N 448.568 1.088 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCOCC(F)(F)C(F)F)C1 1620347891 GCIVDQVJCIDKJW-MRXNPFEDSA-N 436.385 1.759 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCc3cccc(C#N)c3)CS(=O)(=O)[C@H]2C1 1625327164 GKFRKJVFCGEATA-KSZLIROESA-N 433.530 1.845 30 10 IDEE N#Cc1cn(CC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(=O)nc1O 1627618238 BJNTYKVSLFJLBQ-UHFFFAOYSA-N 436.299 1.908 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H](O)CN1CCCC1=O 1635997917 OKZHIYYQJGZMIU-PXNSSMCTSA-N 442.516 1.492 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)s1 1640176262 IDZFREMJEZZPME-SFHVURJKSA-N 449.598 1.638 30 10 IDEE C#CCN(CC(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC(C)(C)C 1644272617 UHBJNQLXFMUACJ-NRFANRHFSA-N 425.526 1.999 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)CC1 1644281568 GQWZGJOWUWGDPF-UHFFFAOYSA-N 449.964 1.427 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3c(C(=O)OC)cccc23)CC1 1661769988 GFBJTHGUKYEKRC-UHFFFAOYSA-N 443.525 1.072 30 10 IDEE C#CCN(C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1)C1CCN(C)CC1 1675315456 OQDGMGGOQZBTED-OAQYLSRUSA-N 444.576 1.816 30 10 IDEE Cn1cc(Br)c(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1681433539 HIKJYINFIWVBKF-GWCFXTLKSA-N 427.303 1.741 30 10 IDEE C[C@]1([C@@H]2CCCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)COC(=O)N1 1682226616 NJJNCRGOHNNDMD-KGVIQGDOSA-N 425.489 1.579 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1689987863 DLJFDSNFIOVWLZ-MOPGFXCFSA-N 435.594 1.019 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690015505 OPFYBLHZEQCOAY-KRWDZBQOSA-N 426.521 1.702 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1690040543 GBUZXFXBNFWLFE-UHFFFAOYSA-N 449.511 1.428 30 10 IDEE C#CCSCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@]1(OCC)CCOC1 1690185747 GCURYQWHMQAZSM-JXFKEZNVSA-N 431.566 1.767 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690300577 FPICSWFQPQDPLP-JKSUJKDBSA-N 437.570 1.208 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCN1CCN(Cc2ccccc2)CC1 1690532247 JXXUDNNXHMGZHY-UHFFFAOYSA-N 437.592 1.841 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1690607200 GVNNNCVBKBHBOA-QGZVFWFLSA-N 429.521 1.892 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690667811 IZQHFSVAECFWRZ-HNNXBMFYSA-N 426.481 1.660 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](C)(C(=O)NC)C1 1690674708 CANBUGYAYFCHGS-QHCPKHFHSA-N 435.532 1.546 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690675659 AUNRUEAITUGBJE-INIZCTEOSA-N 437.504 1.088 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690722762 UWSOEIGNLXNSFT-INIZCTEOSA-N 432.550 1.467 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1692522693 INNLVTDSMOSLJY-YCRPNKLZSA-N 445.474 1.342 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1694352666 DLWQGZFRLTXGMZ-OXJNMPFZSA-N 435.598 1.363 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696922420 YHJWGAOBJARRCE-BZCZAOFBSA-N 441.536 1.425 30 10 IDEE COC[C@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697774020 FNYJNPSQGBVSRZ-JKSUJKDBSA-N 437.483 1.701 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCOC2)c1 1705503926 IPDXUHWBMGZSNX-SFHVURJKSA-N 438.532 1.899 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705564325 BRJYSQYNNKSQJV-RTBURBONSA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705566017 LIRNPCFEBOYXOG-QRVBRYPASA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1705571213 WWOXZIJCHGXNRW-GOSISDBHSA-N 429.546 1.265 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1705603106 NPSLWUWJARWJSV-UHFFFAOYSA-N 428.460 1.409 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1705617602 ARLIEZQXDZALFZ-UHFFFAOYSA-N 433.534 1.361 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705720387 UIILDUPXUXRHOT-MRXNPFEDSA-N 431.541 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705934124 BSSSPEIDBCFEAE-LAUBAEHRSA-N 447.561 1.634 30 10 IDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)cn1 1710188300 DSRHVCICUCTERE-SFHVURJKSA-N 435.488 1.993 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCOC1 1711045627 IFCIDBFAOQRTLN-HKUYNNGSSA-N 445.545 1.921 30 10 IDEE CS(=O)(=O)c1ccc(OCCn2c(C3CCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712686099 FPHRRLAGRQXHJW-KRWDZBQOSA-N 431.518 1.757 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2COCCO2)C1 1712877675 RUMOYAYPANCTIU-AUUYWEPGSA-N 434.497 1.517 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1722332380 JRSDSRFEJRRHMN-LJQANCHMSA-N 445.545 1.293 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1722356128 BPAYFAGGLIJVLA-UHFFFAOYSA-N 446.559 1.558 30 10 IDEE C#CCN(c1nnc(CC)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722364928 BRTURPOLBYTPEI-SFHVURJKSA-N 432.546 1.693 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1722370693 MKGXOXCMQYCVKD-FQEVSTJZSA-N 448.571 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1722385791 OUUCHPUCLSGZLM-UHFFFAOYSA-N 432.572 1.690 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCc2cnn(C)c2)CC1 1722430135 YCPYMVSIJPJSGT-UHFFFAOYSA-N 426.569 1.318 30 10 IDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722522540 VLPUYGBIPGLVMT-QGZVFWFLSA-N 449.581 1.649 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722598855 PXGIKBNCXUVBQT-SFHVURJKSA-N 430.553 1.698 30 10 IDEE C=CCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722690252 CLAIJCQTUSHLRW-LPHOPBHVSA-N 427.571 1.270 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](COC)C1 1722695927 VGWWMIRWMLXFSA-MRXNPFEDSA-N 437.508 1.086 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722725291 IJQOAJVEQZOYLZ-KRWDZBQOSA-N 444.561 1.436 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1722862444 BTLVXZJQJOWQBE-DLBZAZTESA-N 445.593 1.937 30 10 IDEE CC(C)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1723658935 RLEMBLSROCCBKY-QQMHEVNUSA-N 443.552 1.275 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)CC1 1728604392 AMABEQPIFJWFJF-PXNSSMCTSA-N 427.601 1.762 30 10 IDEE CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1728704910 CLRNDNBFBLIBGX-HZPDHXFCSA-N 428.497 1.625 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1729304279 DUNWXWNYDBODBT-QHCPKHFHSA-N 448.531 1.781 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1740610416 ZVTLUMGBTGCMJY-CVEARBPZSA-N 425.555 1.410 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1740618989 FGXDSVUKBIJXRV-QZTJIDSGSA-N 431.493 1.428 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)C1CC1 1740643486 MYZGFWPWBPMNMS-SANMLTNESA-N 446.599 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1740653507 OOJRYMWCXWRDHK-SFHVURJKSA-N 425.514 1.144 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740847888 WULAAYVXGHNKSG-HZPDHXFCSA-N 438.598 1.597 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1740921798 IYRPEUALVABJRB-INIZCTEOSA-N 430.534 1.342 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2NC(=O)CC2(C)C)C1 1740983892 RUHUVWZCUBJWMJ-MSOLQXFVSA-N 427.553 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccsc1 1740992276 OCVWQLUFMYSYIS-OAHLLOKOSA-N 444.604 1.479 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1741003530 WKQNLEDMMBGUMW-QVKFZJNVSA-N 448.593 1.906 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748002315 UGVGHUIIUOAWBH-XSAFGROZSA-N 430.509 1.314 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)CC 1748881526 HBNGKNKYYAPQCK-UHFFFAOYSA-N 439.516 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1748891698 DLAGBSJSQVTXPI-SFHVURJKSA-N 445.589 1.482 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2([S@@](C)=O)CCC2)CC1 1748971351 MOYPRGAGXLMVKK-SSEXGKCCSA-N 434.610 1.253 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](COC)OC)CC1 1748989267 JRHYCNIXUMZRBW-XLIONFOSSA-N 427.505 1.207 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1749019632 BOJFJODKBVBSFY-UHFFFAOYSA-N 438.557 1.839 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1749094964 ALXCPSKBNSXFAU-KKSFZXQISA-N 429.477 1.400 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1749230205 UZVFIAFBUJEYIA-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C(C)C)CC1 1749342440 FTDOJRXHILUSBM-XLIONFOSSA-N 441.598 1.420 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1749597705 LIEAYTWTXRJDIF-GOSISDBHSA-N 427.505 1.962 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749729684 OFTMATIWQAATGQ-IAGOWNOFSA-N 430.534 1.188 30 10 IDEE CS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@](F)(C#N)C1 1750204882 DELUQOFJOHXFCY-LJQANCHMSA-N 429.481 1.822 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1760113214 REKVVBXDQFRSQE-QGZVFWFLSA-N 438.536 1.752 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(CC(C)C)CCO1 1760222092 WOXQSDFBZGCYME-FQEVSTJZSA-N 426.565 1.220 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NCC2CC2)CC1 1760267337 JDCNPJZXCRDNKB-UHFFFAOYSA-N 448.571 2.000 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1760520929 DRYAYKFSDNPCIQ-RTBURBONSA-N 437.548 1.242 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 1760522675 AHXDMFHIXANCSF-UHFFFAOYSA-N 443.515 1.626 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1760549648 JHCPTBFBAGLEAX-KNQAVFIVSA-N 425.489 1.661 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NC(C)C)C1 1760550177 UCYJNVRJNZFWDS-HNNXBMFYSA-N 432.550 1.576 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760845570 PSXNSVAGMXWSSX-HSZRJFAPSA-N 435.532 1.695 30 10 IDEE NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772792143 HPVVELHEQRYCCD-HNNXBMFYSA-N 429.816 1.458 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCN(C)C1=O 1849166928 HXQOJEZIGHXTKQ-SFHVURJKSA-N 439.965 1.986 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2ccc(C)nc2)c(C)c1 1853600595 JHQZBJMLJYXFPW-UHFFFAOYSA-N 446.529 1.522 30 10 IDEE N#Cc1ccc(C(=O)N2CCCC[C@@H](N3CCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 1854032834 AEHZKAHDALDUKF-LJQANCHMSA-N 430.530 1.189 30 10 IDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1861545053 MUMNYJSVFWDTLC-FXAWDEMLSA-N 433.464 1.360 30 10 IDEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870110947 PSJVLRYOESSYHJ-UHFFFAOYSA-N 445.395 1.649 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(N(CCO)CCO)ncnc21 1873647064 VZIRHKCTMQMJFE-UHFFFAOYSA-N 425.445 1.389 30 10 IDEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(N3CCN(CCO)CC3)ncnc21 1873660891 FKKKMERHCBUQHU-UHFFFAOYSA-N 436.516 1.993 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874274614 NVIIFIWNJOTSQV-FCQRQVBFSA-N 445.505 1.760 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1984850615 LTYPAHCYVOWBDG-KGLIPLIRSA-N 427.498 1.777 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ncc(C#CCCO)cn1 2158599116 UEHQDCWWAFRWHH-UHFFFAOYSA-N 428.470 1.029 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248439611 ATVALGCLZYWOAO-ZDUSSCGKSA-N 440.371 1.939 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603718 HWPKPPNSOQVXGZ-VNHYZAJKSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC12CC2 2255627307 QUHIMJXRHLEERF-CQSZACIVSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@@H]2C1 2255652047 ONAAXJJFILEPDG-ZIAGYGMSSA-N 430.314 1.371 30 10 IDEE C[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)C(F)(F)F 2267546880 CNQVSHDZGKUTQJ-YPMHNXCESA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)=C[C@@H]1O 2268716236 UGIRTLXQAQONMB-HOTGVXAUSA-N 445.325 1.904 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)COC1 2300341169 GZSYFSUJFQZFBZ-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE C[C@@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2315697739 WQYCQPMAVZLAPF-PWSUYJOCSA-N 447.288 1.971 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1CC2=NO 2381957610 KMZPNISRSSUQQY-CFDPKNGZSA-N 437.493 1.949 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(OC)c3)n[nH]2)cn1 59886742 FDTXSFKQFWPBPM-DJKKODMXSA-N 430.494 1.833 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 111215964 OPURHBUAAVXLIC-NRFANRHFSA-N 432.590 1.921 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 428884410 FNZYTLFEBUBVHS-UHFFFAOYSA-N 439.513 1.445 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 441206617 XEYJYWDCIMEELP-ZPWNPBNNSA-N 431.514 1.860 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccsc3)c2=O)c1 479368779 WWWMAIWBAQTYRA-UHFFFAOYSA-N 438.534 1.454 30 10 IDEE CN(C)CCOc1ccc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 490792481 FRWGWNGIKRVPMU-UHFFFAOYSA-N 447.499 1.393 30 10 IDEE N#C[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 499388090 KJIJNNSEQULTCH-QEJZJMRPSA-N 440.319 1.166 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)CC1 514223176 VEBVKTZOVKYUAT-SFHVURJKSA-N 439.472 1.135 30 10 IDEE C=CCN(C(=O)CCNS(=O)(=O)c1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 521740725 CXZHBFNAVNKGNE-KRWDZBQOSA-N 428.576 1.680 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 533413588 YQDJUTINFCZSSZ-OAHLLOKOSA-N 445.545 1.825 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CC(=O)OC(C)(C)C)C3)CC2)o1 533483684 YVULWLFCNQJVAT-KRWDZBQOSA-N 431.537 1.947 30 10 IDEE CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 552802676 DBBYNEWCQRRERK-HXUWFJFHSA-N 427.549 1.356 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@@H]2CCOC2)cc1 559239775 FIUGHOSNGQPOPM-IBGZPJMESA-N 446.515 1.882 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1=O 590233231 AUNOTOWHORJZCW-BBATYDOGSA-N 448.277 1.096 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(F)cc1 603786376 LRBHWRDVVCBOCK-UHFFFAOYSA-N 437.496 1.612 30 10 IDEE C[C@H](O)C[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)[C@@H](C)[C@H]3[C@]2(C(=O)CO)O1 605697191 NIMUEYMAOQKMLR-OPRWPZCASA-N 446.540 1.544 30 10 IDEE in-vitro N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 609514220 KTJSSBADALHWBC-OAHLLOKOSA-N 440.485 1.876 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(OC)c4c(c3)OCCO4)c2=O)c1 726580844 YUQVZSNSKMPBSY-UHFFFAOYSA-N 441.468 1.687 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668413 ISOCRGIAQYREHB-UHFFFAOYSA-N 441.516 1.387 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@@H](C)c1cccs1 730144511 OJIIWPATKWCZAG-NTGQDFKTSA-N 439.607 1.313 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732677204 SDAHGFJRDKBTQQ-LJQANCHMSA-N 431.562 1.743 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cc1C#N 747498813 UHFMLUMWKWPVOC-UHFFFAOYSA-N 431.470 1.245 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 760087476 WHGUHOYMCXXSPT-OAHLLOKOSA-N 430.496 1.325 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(c2ccccc2C#N)CC1 765660404 GMLJSANDTBREKN-INIZCTEOSA-N 437.525 1.882 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)N(CCC#N)CCN3CCOCC3)C[C@H](C1)C2=O 767931301 QBFKLIRWNAEPSH-YQQQUEKLSA-N 448.564 1.523 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@H](C)c1ncn(C)n1 780313473 WBYDSHGGUDMIDW-WBVHZDCISA-N 443.577 1.884 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780864244 YQKAPDSNSAXIMJ-QHCPKHFHSA-N 435.484 1.687 30 10 IDEE Cc1cc2c(N3CCN(C(=O)CCN/C(O)=C4/N=CC=CC4=O)CC3)ncnc2s1 781258303 ZVLNQAIXTPGIIO-ZPHPHTNESA-N 426.502 1.565 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 790104616 GQECOHAXQFMBLE-IBGZPJMESA-N 438.484 1.525 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(F)c1 793735532 XZMPARXBFNCRLR-GOSISDBHSA-N 437.475 1.332 30 10 IDEE C[C@H](OCC(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1nccn1C 805940132 UHIVNFIOVMGNPP-JTQLQIEISA-N 427.280 1.637 30 10 IDEE Cc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2N)cc1 1083981441 IMMLYPVCCRXWOS-UHFFFAOYSA-N 439.501 1.884 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCC1 1133490541 DRBUZHTZUKNCSL-MRXNPFEDSA-N 432.546 1.668 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)(C)CNS(C)(=O)=O 1133919981 QURJMTRHXYJNSS-UHFFFAOYSA-N 448.339 1.542 30 10 IDEE N#C[C@]12CN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]1CS(=O)(=O)C2 1157885942 XQRGZMSKFRHDNL-RMLVOYDJSA-N 425.919 1.540 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 1194290499 HCQVXAQDIPSJLQ-MRXNPFEDSA-N 439.607 1.880 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1286273268 DHMBJBSHUYJONJ-VGOFRKELSA-N 427.553 1.949 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1286296271 NVAADNUPCCNPBY-NVXWUHKLSA-N 446.552 1.571 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1286393077 JKSKQUWDOLUQJJ-IBGZPJMESA-N 445.589 1.953 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CCOC 1286446757 XELZABXIZHOWNQ-QFIPXVFZSA-N 427.553 1.699 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1286469359 STMOVZBTDDBAHX-UHFFFAOYSA-N 448.568 1.790 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1286553734 FYBHYDIGESKADI-JZXOWHBKSA-N 432.525 1.489 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 1286784213 BDCGBBBQEBYTSW-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1286785742 RMOPGVZGKKMUDM-UHFFFAOYSA-N 425.537 1.804 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1286786344 RCGYRODCAHXSOV-IEBWSBKVSA-N 443.596 1.275 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286831614 AXEUQVZOTWCHTO-MSOLQXFVSA-N 434.610 1.444 30 10 IDEE COC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 1288915545 MFOWTBFUCBNMPC-ICSRJNTNSA-N 435.546 1.517 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)c1 1291814569 OHGNQALPLXWIGA-GBXCKJPGSA-N 435.480 1.885 30 10 IDEE CCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cs1 1292736350 BELSDAJWLRPDHK-MRXNPFEDSA-N 428.566 1.660 30 10 IDEE CCN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1295243880 HTFZYYFHEXABEP-QZQOTICOSA-N 441.536 1.696 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCCN2CCOCC2)CC1 1300403668 OWNNUBILVJOEHZ-FQEVSTJZSA-N 428.581 1.971 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1300513628 YAYOOJSHGFUDSY-NZQKXSOJSA-N 429.565 1.360 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1300630348 BLCMHJGGHYUUET-PNLZDCPESA-N 449.552 1.586 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1300656222 BQTGJSWGEHNMDT-SFHVURJKSA-N 427.530 1.728 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCN(C)C1 1300657821 SGUFFECEJJYCBV-QFIPXVFZSA-N 429.521 1.115 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cc(Cl)cn2)CC1 1300711283 WKYUGVYYKMYQNW-WMZOPIPTSA-N 433.944 1.307 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1300972737 PLRSWWKNRHTPDF-DOTOQJQBSA-N 439.538 1.652 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccoc1C(=O)OC 1300975330 CMNHFDBFOPSKJX-OAHLLOKOSA-N 433.486 1.980 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301151375 MQAONJZLRMWGEV-CVEARBPZSA-N 428.541 1.916 30 10 IDEE N#Cc1cn(CCNC(=O)CCc2cc(Cl)ccc2Br)c(=O)nc1O 1301212829 GXCCPSVVDKFPRN-UHFFFAOYSA-N 425.670 1.985 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1301506370 JPZBDNKGESWLFD-UHFFFAOYSA-N 446.559 1.905 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2cccnn2)CC1 1301509874 OUACEZAQWWDLCK-UHFFFAOYSA-N 446.559 1.872 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)cc1 1301525965 KYCFGZBDRKSDNW-QGZVFWFLSA-N 431.518 1.077 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(N)=O)CC1 1301528867 FZFGSORBFIPYEY-GOSISDBHSA-N 438.532 1.934 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)C1 1301565886 LDVBROILPAPOEQ-KNQAVFIVSA-N 431.512 1.844 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301569554 ZAYNYJZZVGKRBE-KRWDZBQOSA-N 438.598 1.585 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1301999565 GNMSJLJWNQRJDL-SFHVURJKSA-N 434.585 1.977 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1302468055 CKQOCTCUFCPBSY-UHFFFAOYSA-N 445.545 1.495 30 10 IDEE CC(C)N1CCC(O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1303301567 KAEUSBZFDDLTEQ-QGZVFWFLSA-N 445.955 1.958 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccsc2Br)CC1 1309228843 PGVIHCDNQGCLLE-UHFFFAOYSA-N 434.381 1.098 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCOC1 1314701529 OQLKIBSYFCUXQL-INIZCTEOSA-N 436.476 1.107 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@H]2C)c1 1315348003 DRYHIARCILFFLF-SZFUDVHCSA-N 431.468 1.944 30 10 IDEE COCC[C@](C)(O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1315977729 BNNOVXDINQXFHD-UFYCRDLUSA-N 425.505 1.548 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1316297014 FXDXCKXSDLIBRN-FAJBIJEISA-N 430.509 1.627 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1316541071 SBRKFHPLTHGDTA-UGNPLGLKSA-N 447.499 1.318 30 10 IDEE NC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1316545097 YKYRRDQVUVCGNC-DYTRJAOYSA-N 435.488 1.173 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1358979385 KVGCZOVUEOCANN-IBGZPJMESA-N 449.577 1.033 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1358994322 KGKAKGKKHMKLFY-WEMPKCCASA-N 430.574 1.584 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359025566 SNOZPCYSJOKPOP-GOSISDBHSA-N 449.552 1.376 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccccc2)CC1 1359030998 MPWMBZABIAGJOK-QHCPKHFHSA-N 425.533 1.764 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1359077814 LUAPDSFCIYVPPV-DYVFJYSZSA-N 425.375 1.874 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359137232 JQGGSHJENUMTEC-HZPDHXFCSA-N 430.513 1.254 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1359158286 MBJUEBSUOSIOKJ-INIZCTEOSA-N 426.512 1.929 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359208287 JKBQGZZOVIKMJU-BZSNNMDCSA-N 440.614 1.402 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359226841 NTTKBKQZUUQPKO-HXUWFJFHSA-N 446.596 1.509 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1359305012 QRLBNAIBHCTEBB-CVEARBPZSA-N 436.557 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1359331209 QYIJDIFOKCVBQX-NRFANRHFSA-N 442.545 1.729 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1359465408 BLCCKFUZTWGLHB-UTKZUKDTSA-N 447.609 1.318 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1360475716 CVYQHPDHPZVSCB-YOEHRIQHSA-N 425.493 1.493 30 10 IDEE C#CCN1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1444335498 AEYZKHVAVRQYCI-GOSISDBHSA-N 439.965 1.041 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)CNC(=O)N2C 1452023011 DVCJOGDSAZVLNQ-MRXNPFEDSA-N 447.561 1.300 30 10 IDEE N#C[C@@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccc(OCc2ccccc2)cc1 1464770010 CJHZOVXTXDPYJQ-AZUAARDMSA-N 428.514 1.862 30 10 IDEE N#Cc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)ccn1 1467722625 MDVWGHXUSPQUBN-MRXNPFEDSA-N 434.905 1.994 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1470097135 VDXZOEBLAJWTQG-UHFFFAOYSA-N 429.527 1.774 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)nc1 1471984286 SWNUYHFAKSOHJO-WOJBJXKFSA-N 440.548 1.069 30 10 IDEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 1475918013 SHKVZTGOEHJCFX-KRWDZBQOSA-N 434.562 1.967 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1507561280 TYVYQPUAIHVMGC-QGZVFWFLSA-N 433.520 1.936 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1-c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1507634671 PBMKAECDOBOJQW-IBGZPJMESA-N 438.557 1.916 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507790498 ACJBISIJOWNUGO-WCIQWLHISA-N 448.612 1.943 30 10 IDEE C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507870351 ISGFADNJDBUQKR-UHFFFAOYSA-N 444.967 1.989 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 1508074451 NBPOVOKVZWDQAH-GJZGRUSLSA-N 431.468 1.859 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508133193 DNXUEEXNZBSGHK-AWEZNQCLSA-N 448.505 1.121 30 10 IDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2S(C)(=O)=O)CCOC1 1516124169 BRUDAYXFSXZTRD-MDZRGWNJSA-N 440.570 1.093 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC2CCOCC2)CCOC1 1516181231 GYSSHEGYSGBPDC-LEWJYISDSA-N 437.516 1.958 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1516965103 KDHRSBDSQHDMSH-SFHVURJKSA-N 448.531 1.934 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1519359166 UDKDCXKWSALCOC-SFHVURJKSA-N 433.534 1.493 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1523612716 SPXOPKGZFMNQQF-XLIONFOSSA-N 435.546 1.837 30 10 IDEE CC(=O)NC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1534462442 AFEILSWCPLHOFW-IBGZPJMESA-N 432.546 1.476 30 10 IDEE N#Cc1ccc(NC(=O)CC2(n3cnnn3)CCOCC2)c(I)c1 1535358124 UHWDMXSYSQWOTO-UHFFFAOYSA-N 438.229 1.684 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@H]1C 1539002565 UZZBQECMXZXKMS-IAGOWNOFSA-N 445.593 1.417 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539230886 QTXOFGOSSYBTPG-JYJNAYRXSA-N 447.586 1.552 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539231548 VZBFKVNMVPSHFF-LJQANCHMSA-N 430.578 1.957 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1539407523 GBDULGDSHMCFRA-NRFANRHFSA-N 430.578 1.567 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCc1nccnc1C 1539420496 FJMKENXQTILJMT-UHFFFAOYSA-N 430.516 1.944 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N(CC)CC)CC1 1539431517 UXDHQFKHHGQBLR-NZQKXSOJSA-N 432.613 1.804 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1539611680 CHWDMYHEPXRFLY-DFEOGRTESA-N 430.553 1.645 30 10 IDEE Cc1cc(N2CC[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)n(C)n1 1539746659 DEUSCOLCUZABOP-JKSUJKDBSA-N 432.525 1.927 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539751013 FQAIJPZBFGPJCN-QZTJIDSGSA-N 432.569 1.164 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1540037126 BSUQEGODYNMRQP-MSOLQXFVSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1ccccc1 1540871941 YCEHMYRHGZKMJE-RTBURBONSA-N 443.573 1.694 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1540874928 WGPQKHGNEHQNAN-UHFFFAOYSA-N 437.504 1.123 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1541284727 NMJSPOBYRZHQJN-QFIPXVFZSA-N 437.504 1.620 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1547672002 CMLOJMIOQLQOSE-SFHVURJKSA-N 431.566 1.286 30 10 IDEE C[S@](=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1555820308 BTSGMMMTSJJUTP-QZXCRCNTSA-N 425.580 1.221 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC/C=C\c3ccc(Br)cc3)C2)c(=O)nc1O 1564813460 BVSHOMWIUBWRMA-UPHRSURJSA-N 430.262 1.863 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1587640757 VABATCRWCLYYIK-HOTGVXAUSA-N 430.513 1.336 30 10 IDEE CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)C#CC1CC1 1587993801 MQUGTFDXCKQLPY-UHFFFAOYSA-N 439.921 1.171 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1589395244 SRTVSBPVCDBEEE-KGLIPLIRSA-N 439.358 1.879 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1594023071 COVQQBVRNOUPFK-AUSIDOKSSA-N 447.580 1.970 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1594803300 RONYGYQNNZIHAZ-UHFFFAOYSA-N 436.520 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1595812523 XGRRZJSANBOQJL-UHFFFAOYSA-N 447.609 1.277 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1cnn(C)n1 1603682966 KVVNSXAIIQQFTE-UHFFFAOYSA-N 434.552 1.831 30 10 IDEE N#Cc1cn(CC(=O)N2CCC(Oc3cccc(Br)c3)CC2)c(=O)nc1O 1611392051 HFMQCSAFEQYAAN-UHFFFAOYSA-N 433.262 1.653 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCCC3)C2)n1Cc1ccc(C#N)o1 1611688897 HJNUGWQCUSTEJK-JKSUJKDBSA-N 447.565 1.466 30 10 IDEE CCCN(CCC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1614742732 IZYUSKOUASPXIX-HTXNQAPBSA-N 429.525 1.667 30 10 IDEE CCOCc1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616803924 ZYACQCOGWYBIBI-QBEKEKFNSA-N 443.552 1.406 30 10 IDEE COCC1(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1619639729 FUURUDFUWBCDBK-IRXDYDNUSA-N 437.566 1.506 30 10 IDEE CS(=O)(=O)CCn1cccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)c1=O 1623412021 CZJILCHLZHCMEJ-UHFFFAOYSA-N 435.531 1.180 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1627342625 UMWPPBGYADAIQJ-UHFFFAOYSA-N 432.484 1.893 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 1633867394 QVOWHRGYUSYVOK-INIZCTEOSA-N 431.474 1.353 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1634109179 XKSLCVUMVDSOHK-YDHLFZDLSA-N 432.481 1.563 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@]1(C#N)CCc2ccccc2C1 1638848070 HJBHKODEIFLTNB-LAUBAEHRSA-N 435.546 1.882 30 10 IDEE C#CC[C@H]1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1644470138 SETHQQZYYUGAJD-SFHVURJKSA-N 437.544 1.914 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1645726946 LYOWCIZKASPSEG-QANKJYHBSA-N 435.527 1.248 30 10 IDEE CC(C)(C)N1C[C@@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 1645988290 YBLSEWLPZRMVMG-NVXWUHKLSA-N 425.489 1.526 30 10 IDEE C[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)cc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1646046776 SOIOTRCLRCCUEX-NSHDSACASA-N 441.435 1.761 30 10 IDEE N#Cc1cn(Cc2ccc(S(=O)(=O)N3CCCC3)o2)nc1I 1652916824 ZQEUHQJQMUSKIH-UHFFFAOYSA-N 432.243 1.785 30 10 IDEE C#CCCS(=O)(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1663857430 JSBDFKHBEYNNKU-SJORKVTESA-N 440.566 1.207 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1Oc1ccccc1 1686175722 NEETVMHSQTWEDM-KSZLIROESA-N 425.445 1.012 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689983391 AUCTVGGVMAJUKF-VQTJNVASSA-N 444.557 1.550 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690047048 KYDLRYAWFAAYDD-GOSISDBHSA-N 442.541 1.727 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnc(C)s1 1690100923 HYPVFSKIGXAGLA-UHFFFAOYSA-N 436.501 1.888 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N(C)C2CCCCC2)CC1 1690124785 UNLKJKBYQCTTMT-IBGZPJMESA-N 428.581 1.718 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccnc(SC)c2)CC1 1690145905 APICFSCHQQEFLY-GOSISDBHSA-N 440.573 1.913 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690508513 KHJQLZQUUBNPAD-BTYIYWSLSA-N 432.525 1.189 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1690534547 BEYKIBVRLKZQMY-HZPDHXFCSA-N 426.583 1.759 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H]1C(C)C 1690622382 OBIFAFOSFIZPOS-KZNAEPCWSA-N 426.583 1.880 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1690700344 QWYLLJZRCGOMDW-MSOLQXFVSA-N 447.561 1.453 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)COCCO1 1692346900 ROSYBBDBPGANDT-XLIONFOSSA-N 439.582 1.752 30 10 IDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(-n2cncn2)nc1 1692504551 HMGNKOCSDSTUIY-UHFFFAOYSA-N 434.508 1.570 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)(F)F)C1 1698482554 DIPNDEWPKUZYLH-MRXNPFEDSA-N 440.361 1.046 30 10 IDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1705531451 KGCLKVQAOWAUSY-UHFFFAOYSA-N 433.516 1.976 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705540768 MPOYXOMTQVTEPX-UHFFFAOYSA-N 443.552 1.521 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1705565293 GLTXGYLNCRZYCQ-HNNXBMFYSA-N 430.559 1.908 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1705566664 QDJLFETZKYSJKS-GDBMZVCRSA-N 433.559 1.160 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCOCC1 1705589899 YXEATLRCGMYFRX-UHFFFAOYSA-N 436.516 1.974 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1705625125 XRUWULAKCOIBAA-UHFFFAOYSA-N 448.527 1.828 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1705632153 JBSICQKHZZMJQZ-SFTDATJTSA-N 441.624 1.637 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCOC2)CC1 1705650583 UQNNHNWVSVNIGV-OAQYLSRUSA-N 429.546 1.048 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705660099 MQLKTEPSAFMFLR-SJLPKXTDSA-N 432.594 1.285 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(C1)OCc1ccccc12 1705898030 ZAMGGTGXRDHUOO-UZUQRXQVSA-N 441.532 1.940 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705909357 UVJKOBSICODWTL-LZLYRXPVSA-N 448.568 1.776 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1722341927 GUPLPSYWYHKLLA-GJZGRUSLSA-N 442.586 1.507 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1 1722406812 VZWCJHTZFHTGNA-UHFFFAOYSA-N 441.561 1.631 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCC2=O)C1 1722464525 IZUZBCOYZRAJGM-LNLFQRSKSA-N 433.578 1.570 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722615551 TUELGMUUPUOCIJ-MRXNPFEDSA-N 427.509 1.891 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1722654798 VTFOFGIZCRPWGY-XXBNENTESA-N 440.548 1.497 30 10 IDEE CC(=O)NC1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722826137 ZPZAQNPAZMPBPD-FMQUCBEESA-N 429.525 1.108 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722968585 ANJFYUUILRABSC-HSZRJFAPSA-N 435.532 1.980 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C1CC1)N(C)C 1730325095 FLNYDIZFESMRMF-ZWKOTPCHSA-N 426.521 1.935 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1740601241 TXFAQYHKKFDSPX-ZDUSSCGKSA-N 428.559 1.261 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740620860 SJYQACYRXNZPKO-VQIMIIECSA-N 426.546 1.394 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C2CC2)CC1 1740838930 BRCWRXSNTQKWPO-ZWKOTPCHSA-N 439.582 1.438 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1740940292 ZSUWAOUMMHNGSI-UHFFFAOYSA-N 433.314 1.918 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCc2ccccc21 1740951333 FLHXPJJRYMTWNH-YOEHRIQHSA-N 432.550 1.314 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(OC)C1 1740958651 FGISUNNAMMIEBI-QFIPXVFZSA-N 437.504 1.901 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740960010 IXSKMNXONRMFQN-IAGOWNOFSA-N 429.525 1.625 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740963602 PWYKUOCANQALBO-ROUUACIJSA-N 438.532 1.491 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)n(C)c2=O)C1 1740980780 MQZVSKDOOPOYBS-ZWKOTPCHSA-N 447.561 1.017 30 10 IDEE CC(F)(F)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741892804 CBZIVVLBUZMSMZ-HNNXBMFYSA-N 430.463 1.868 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCNS(C)(=O)=O 1748646582 AYFCUPUUSBVFAT-LBPRGKRZSA-N 443.371 1.443 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCN(C)C1 1748647574 QFBXHQLUFXNEAA-BTYIYWSLSA-N 445.593 1.071 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)cc1OC 1748669156 BFELORMDRRFLDG-KRWDZBQOSA-N 444.561 1.740 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748684939 REHUOTUENYPTPI-SPLOXXLWSA-N 426.546 1.738 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1748837905 RMBZLXMVZFFKTQ-LSDHQDQOSA-N 425.452 1.416 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1748869079 SORZWEPEWSTZML-REWPJTCUSA-N 427.549 1.652 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1748946820 RLLZQQPGGHTEHS-QHCPKHFHSA-N 441.507 1.985 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1748961021 UYYVAIFXAUQWKQ-UHFFFAOYSA-N 446.515 1.368 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(CC)C2CC2)CC1 1748979353 XVWLMGFAZGYDDC-QHCPKHFHSA-N 430.597 1.558 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)CCC)CC1 1749303070 DUPHJAIXLAGAGN-GOSISDBHSA-N 440.614 1.499 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749434532 WIMSIIHTZAPCNZ-QGZVFWFLSA-N 438.540 1.638 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC1CC1 1749475397 DSNBNGNWMWMIDS-UHFFFAOYSA-N 428.522 1.368 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749729550 NCQQYPXKHGKDNS-LAUBAEHRSA-N 447.561 1.715 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749744723 OPMQRBFNAMWJLD-JYJNAYRXSA-N 445.611 1.192 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760154121 ANCHJVCMAMWOMR-OTWHNJEPSA-N 435.594 1.141 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](c2ccco2)N(C)C)CC1 1760252966 ZIWIMICEWRMBBW-LJQANCHMSA-N 441.580 1.848 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760489866 LSSQFGXVDOIQAW-MRXNPFEDSA-N 442.486 1.956 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1760525483 HMWQFQJMJFQNDN-OAQYLSRUSA-N 448.527 1.850 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1768940269 VLWOKOMETMAAEC-UHFFFAOYSA-N 449.515 1.495 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772793262 WLGLBIZSHFVKEE-UHFFFAOYSA-N 433.442 1.447 30 10 IDEE CC#CC(=O)N1CC[C@H](NC(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)C1 1775939855 YIPACBVLRBCOLL-INIZCTEOSA-N 426.473 1.817 30 10 IDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)c1ccc(N2CCOCC2)nn1 1849515803 ACPAHKXXYXFDCJ-UHFFFAOYSA-N 429.278 1.935 30 10 IDEE CN(C)C(=O)[C@@H]1C[C@@H](OC(=O)Cc2cc3c(cc2C#N)OCO3)CN1C(=O)OC(C)(C)C 1851243221 LZKRNUJGUGJPLR-CVEARBPZSA-N 445.472 1.839 30 10 IDEE CN1CCCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851363534 GUGQXRNPCTYFCH-OAQYLSRUSA-N 426.542 1.612 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc5c4CCCC5)C3)CC2)n1 1853388539 KPQXGYCXUKDLRO-GOSISDBHSA-N 430.512 1.929 30 10 IDEE CC(C)Oc1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 1853471478 KUOCVCSCBNIWLE-IBGZPJMESA-N 432.521 1.351 30 10 IDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1=O)CC2 1855022731 HHIHBMCCGVNXIO-DOTOQJQBSA-N 428.924 1.709 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1 1857155844 YCAKAFVYTRRDLH-GOSISDBHSA-N 432.546 1.322 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12)[C@H]1CCS(=O)(=O)C1 1858244660 LSXXHOVOERSCMG-INIZCTEOSA-N 437.481 1.717 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 1862610064 BHKLGYIXJJFIGU-GOSISDBHSA-N 442.380 1.642 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CCN)C(C)=O)=C(N)Oc2c1c(CC)nn2C 1865226066 SPAOTWNUJBDALD-GOSISDBHSA-N 439.516 1.576 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc(NC(C)=O)cc2)cc1OC 1870098936 ZHLUPDRULDQTAJ-UHFFFAOYSA-N 442.457 1.915 30 10 IDEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155541 RSJCEXFNTYTYMA-UHFFFAOYSA-N 435.331 1.421 30 10 IDEE O=c1c(Cl)c(N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)cnn1[C@H]1CCS(=O)(=O)C1 1873529684 WRCGCILHPUXVPN-WCSOITLTSA-N 443.825 1.022 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2010031162 BHSYZCRHDIHIMJ-LHSJRXKWSA-N 439.509 1.874 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)[C@@H](F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248413166 SQPYHUKKHPDYMK-GHMZBOCLSA-N 444.338 1.697 30 10 IDEE Cc1c(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255538541 MCGXBABOFCAFFW-KGLIPLIRSA-N 434.346 1.671 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2255679639 HZTXESKEOMHYCG-STQMWFEESA-N 435.334 1.290 30 10 IDEE C[C@@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255825033 SMUGHMQQGHCDJE-CQSZACIVSA-N 434.346 1.801 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255829402 OMIBSKQPLNLBHB-CYBMUJFWSA-N 436.318 1.390 30 10 IDEE C[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255843506 HXYFUBQEICBHBX-CMPLNLGQSA-N 447.288 1.971 30 10 IDEE C=C(CN(C)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O)B1OC(C)(C)C(C)(C)O1 2256674702 LMTVGGCKGJZNHC-QVKFZJNVSA-N 440.346 1.365 30 10 IDEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2267092496 WEDXLCFTZCBXKE-NQBHXWOUSA-N 444.263 1.627 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267613425 BSUNTSRKJORWIT-UHFFFAOYSA-N 443.313 1.803 30 10 IDEE C#CCOc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286056567 CSUCVPZXGPOSGY-GOSISDBHSA-N 432.454 1.820 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 2296610037 SGARDXNBRHPBLO-IBGZPJMESA-N 428.464 1.920 30 10 IDEE C=CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc3c(cc21)OCCO3 13792037 ABEPRAUVOIENRG-UUPHZHHOSA-N 437.543 1.759 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cccc2ccccc12 72443919 YYFBSQGBRFKMER-ROUUACIJSA-N 442.479 1.849 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 102756555 KVPVXWZOOIFLJI-LYHOESIGSA-N 430.530 1.852 30 10 IDEE C[C@H](C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409672223 PWSJYZMCPRDLLD-CYBMUJFWSA-N 447.293 1.223 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC1 446366277 HMYBCIBILRUUSU-UHFFFAOYSA-N 432.492 1.480 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C 467830656 CUZNQLDDFDPIPC-YRNRMSPPSA-N 440.525 1.531 30 10 IDEE N#Cc1cc(N2CCO[C@@]3(CCOC3)C2)cc(N2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] 469559284 WLWMHNJRBFWFHM-LEWJYISDSA-N 430.461 1.458 30 10 IDEE COc1cc(OC)c(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 472096263 SHDBOQXQSIRTSQ-UHFFFAOYSA-N 428.493 1.658 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)C1 473374095 OUJUTLBXANGHIR-INIZCTEOSA-N 436.472 1.913 30 10 IDEE C=CCN(CC(=O)NC[C@@H]1CN(CC(C)C)CCO1)S(=O)(=O)c1cccc(Cl)c1 494469851 DRONDHYUMAEFDQ-GOSISDBHSA-N 443.997 1.990 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 499064174 OYBGLPGWSNLRMU-UHFFFAOYSA-N 431.606 1.094 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N3CC(S(=O)(=O)N4CCc5ccccc54)C3)cc2)c1N 500947878 WIQIJKXAPXTEAX-UHFFFAOYSA-N 448.508 1.543 30 10 IDEE COc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1OCC(=O)NC(C)C 544834378 AMQFLAOKSNUAQQ-UHFFFAOYSA-N 437.500 1.828 30 10 IDEE Cc1c(NC(=O)[C@H](C)N2CCN(c3cccc(C#N)n3)CC2)c(=O)n(-c2ccccc2)n1C 546213549 HRSKEOBGPCSPAI-SFHVURJKSA-N 445.527 1.900 30 10 IDEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CC#N)CC1 568325978 FGPYBYCWJXSRNK-INIZCTEOSA-N 433.490 1.031 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@](C)(C#N)CCOC 571869280 AHYHUUPMPODXMK-HXUWFJFHSA-N 438.550 1.070 30 10 IDEE CONN(O)CC(=O)N=C1C=CC=C/C1=N\S(=O)(=O)c1cccc(C(F)(F)F)c1 575193141 URHQBCDCEANIRO-MCZVMPTMSA-N 432.380 1.686 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)c1C#N 579300389 DJAJJKNKBWEKLJ-KRWDZBQOSA-N 433.582 1.098 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C[C@H]1CCCO1 603797319 BIFKDZGDGSWSBR-CQSZACIVSA-N 431.464 1.149 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 669804424 RLJSPEPFUAYNKR-RTBURBONSA-N 447.561 1.845 30 10 IDEE C#CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 728572925 QJLXWIXPKYYCNZ-UHFFFAOYSA-N 442.501 1.024 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCc3ccc(C#N)cc3)ncnc1-2 729589494 JCFMFSQFCZJLRO-UHFFFAOYSA-N 429.282 1.282 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 732465115 CLSZELWNKQKZAQ-SXZOAGKDSA-N 433.459 1.755 30 10 IDEE CSc1nc(O)c(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C#N 732678146 SIMCNTLLGWRRTA-UHFFFAOYSA-N 438.453 1.672 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2=O)cc1 733853084 DQHYTQHPLNHZHA-QGZVFWFLSA-N 444.444 1.549 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cccc(C)c3C)c2=O)cn1 735069509 VFVFFEQOOVCDMS-UHFFFAOYSA-N 447.564 1.904 30 10 IDEE CN1CCC[C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1cccs1 741604502 DKXWGNVXOWWLSM-KUHUBIRLSA-N 432.571 1.986 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@@H]1CCCO1 743729177 XKCHMZARJATLLG-WBVHZDCISA-N 444.557 1.050 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc(-c4ccncc4)s3)CC2)o1 745169747 NMDLTTOPBTZKEZ-UHFFFAOYSA-N 438.469 1.879 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2Cl)N(CCc2nnnn2C)C1=O 771546013 WGTLZLANFAXFPF-GFCCVEGCSA-N 442.332 1.827 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc[nH]n1 772659343 OUGIMZZPRULGTC-ZIAGYGMSSA-N 437.497 1.455 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCO1 775326526 FXJYWDGXGMPCHY-YESZJQIVSA-N 441.347 1.899 30 10 IDEE C=CC[C@]1(C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 784942335 IYGONZPBYDAZPT-STXHMFSFSA-N 444.550 1.567 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)s1 787019685 WLYLQXPHRZQITM-LBPRGKRZSA-N 437.499 1.791 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 788694707 VAGLMTXVANAZPC-UHFFFAOYSA-N 436.446 1.033 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cc(Cl)ccc1N1CCOCC1 798408834 COTUCUIAKOEXKW-VHEBQXMUSA-N 433.896 1.502 30 10 IDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(C)C 799042976 VERRWRCNXZBFQC-INIZCTEOSA-N 429.336 1.858 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)c1cc[nH]n1 800581480 ITFUEGYYXGZHBN-HNNXBMFYSA-N 428.493 1.633 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807928140 BGXKLYNNHJTWJU-KRWDZBQOSA-N 429.550 1.323 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 813561033 BVJYKRHXEKQDAN-DOTOQJQBSA-N 433.578 1.437 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 814614160 RLWKZCBOFFIDSQ-UHFFFAOYSA-N 435.483 1.436 30 10 IDEE COCC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 814851449 SIYCIZVNQIACIV-UHFFFAOYSA-N 448.505 1.389 30 10 IDEE C[C@](C#N)(NC(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 915446761 OGLAVZCOTAUAOV-OAHLLOKOSA-N 430.280 1.062 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]2CCCO2)c1=O 917355829 FDMLWVJEQCTKRT-OAHLLOKOSA-N 428.558 1.557 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2nnc3n2CCC3)CC1 918121228 FZEAOYQVBYMIDA-UHFFFAOYSA-N 428.518 1.059 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2ccc(F)cc2)n[nH]1 1084106827 WCYXBCCTAXXIBE-UHFFFAOYSA-N 446.512 1.604 30 10 IDEE C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2I)C1=O 1133744269 GXFRKUCCZOMSDS-INIZCTEOSA-N 438.225 1.822 30 10 IDEE C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2I)C1=O 1133744270 GXFRKUCCZOMSDS-MRXNPFEDSA-N 438.225 1.822 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1136096517 MSTJLORSQPKZKW-INIZCTEOSA-N 427.509 1.319 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 1146320988 VYOHFKYMOCGUBA-WQANXHIZSA-N 433.530 1.805 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 1160002443 UKODCFOAAUHCMM-PAXLWEDBSA-N 431.489 1.552 30 10 IDEE N#Cc1cc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)ccc1Cl 1167487717 FAWYWTCGMLIEIU-UHFFFAOYSA-N 432.933 1.948 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1174641519 KGDXLNMHZZUXIG-XXBNENTESA-N 444.532 1.642 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 1254331703 KDARKEUBWWPIJA-MRXNPFEDSA-N 443.552 1.374 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286389819 RGTMLTRYPINEQA-IAGOWNOFSA-N 449.577 1.063 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1286392039 AGYCIUNXKWPSHK-INIZCTEOSA-N 437.591 1.703 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2OC)C1 1286407785 RGVUCNLAVFYXBQ-OALUTQOASA-N 432.528 1.837 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCSC2)CC1 1286474569 MRVPRMMUXOHAOZ-QFIPXVFZSA-N 443.573 1.586 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(OC)c(OC)c2OC)CC1 1286484719 VXHGILPHSDBJRH-UHFFFAOYSA-N 429.521 1.644 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1286706312 MFJOGKDYSZCBCY-INIZCTEOSA-N 428.603 1.402 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(C)(C)O)c1 1286726212 BQIBECRXKKWTQL-SFHVURJKSA-N 449.577 1.509 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286822997 KBPJOPXJTLGSEX-UHFFFAOYSA-N 435.598 1.673 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)CCOC1 1288320717 CENCKPURSCHVHE-QWMYNDFQSA-N 439.582 1.595 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)C1 1288974865 HDNUTJBHSTYAGQ-GCKMJXCFSA-N 425.493 1.595 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1291677552 YKMBBFUZAMEFHN-DIYRITFWSA-N 430.509 1.314 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1OC 1300041630 SYUUHNXTZKIETP-RTWAWAEBSA-N 428.468 1.883 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1300339272 LEJLDWRHIPJXJF-IERDGZPVSA-N 449.552 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](CC)OC)CC1 1300717107 YQCYZDQBVBSMKI-AVRDEDQJSA-N 433.553 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(CN(C)C)c2)CC1 1300730641 DNKRAPITKLLUNE-UHFFFAOYSA-N 438.576 1.890 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC[C@@H]1C 1300811079 PVKCKPAZJXCAOC-YJBOKZPZSA-N 432.550 1.617 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1300888338 JDQAXDWIMXLKMP-AVRDEDQJSA-N 440.548 1.540 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300990150 BYCALMNIUJBAFB-PKOBYXMFSA-N 432.569 1.511 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301217084 YTFFKVUBHFRMNK-LJQANCHMSA-N 443.596 1.720 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1 1301219698 OWEFXBABHICTLG-CALCHBBNSA-N 434.558 1.962 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(CC(C)C)CCO2)C1 1301535049 HGQPMTLMYOVCQP-RBUKOAKNSA-N 434.585 1.554 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC[C@H]2CCCO2)cc1 1302992362 YZINBCIOAPGTTR-LJQANCHMSA-N 445.545 1.637 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1CC1 1303858751 FIDYUNXUPLETMZ-OAHLLOKOSA-N 444.565 1.282 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)cs1 1304675919 OWNZVDMQGKPEPH-GOSISDBHSA-N 432.550 1.948 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCC[C@@H]1C#N 1307994793 WRERBSPSHQPILF-QAPCUYQASA-N 435.506 1.052 30 10 IDEE CN(CC1CCCC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314793667 BZQDCZQYOZGHES-ZZEZOPTASA-N 441.536 1.667 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1314961152 KIPJQJSMKYKPCG-OAQYLSRUSA-N 428.562 1.895 30 10 IDEE COCCCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1316031199 JGCYCBCTSYFMMG-CRAIPNDOSA-N 449.533 1.673 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2)NC(=O)NC1=O 1324060288 NASQDWABTLDHNO-HTAPYJJXSA-N 434.456 1.371 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1358889660 FIQPWUWHWBGJRC-PBHICJAKSA-N 437.953 1.771 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1358889948 JKCGLEGRPFKMPS-CRAIPNDOSA-N 435.525 1.451 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358960984 PNCSFGFSENGWOH-OKZBNKHCSA-N 431.562 1.583 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn(C2COC2)nn1 1358973056 DFOMXVIPKAQFPB-UHFFFAOYSA-N 437.891 1.891 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1359018622 WXBHLBYPKSAUAD-QZTJIDSGSA-N 434.585 1.390 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1OCCC1(C)C 1359021475 QCFCEKNCZARXAK-IBGZPJMESA-N 436.520 1.822 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2C[C@@H]2COCCO2)n1 1359027371 GZSTXOBJRYTETA-LJQANCHMSA-N 440.504 1.745 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359038797 LEOHDGBRXGSBOM-XMMPIXPASA-N 436.560 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCSC2)CC1 1359039986 DHWFWOKBJCNTMV-INIZCTEOSA-N 432.594 1.525 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)NC)CC1 1359131667 AXOCIXROKFOFON-UHFFFAOYSA-N 444.536 1.951 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359143038 SNUQOBOQVOIQAD-UONOGXRCSA-N 432.978 1.382 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)CC1 1359165922 ZSPGLKCFMORIDF-MRXNPFEDSA-N 428.580 1.161 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CC(N)=O)C1 1359309778 DKZHDHQTMIUDOZ-AEFFLSMTSA-N 438.532 1.934 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359342286 UFNXLJMKPGGCRY-RDTXWAMCSA-N 425.580 1.163 30 10 IDEE COc1ccc(N2CC[C@@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)cc1 1457878526 QJLCQOWEDLQGQX-KRWDZBQOSA-N 428.514 1.488 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1468548723 HMBKCARYNCABMS-YADHBBJMSA-N 430.549 1.415 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1OC 1472222252 JOEFHMJIGUIULS-PSQGSSLYSA-N 448.541 1.601 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)C2)nc1 1478308743 QQCKVFRCIOMBLG-SQGPQFPESA-N 433.534 1.275 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1494183762 CYJXKSKMVDWRKX-VQGDTLQRSA-N 444.536 1.701 30 10 IDEE C[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1494547936 AODRMKKYRAIEKC-QFBILLFUSA-N 444.561 1.571 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H](C)C(=O)NC)C1 1502957616 HPXFPLOSJNCHPS-DBXLBAIQSA-N 426.521 1.565 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCO)CC1 1505318954 SQULDNHHBHHIHW-GOSISDBHSA-N 441.511 1.729 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1507629955 RONSTZJFCFNMML-MRXNPFEDSA-N 425.518 1.057 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2C)CC1 1507729920 LFMVMQVZCWSJGZ-KURKYZTESA-N 430.553 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(C)C)CC1 1507737794 FUXPBYJJGNRNMH-KRWDZBQOSA-N 432.594 1.584 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507773647 UWLZXXAGTGAZLF-SFYKDHMMSA-N 428.581 1.717 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508080894 FRVZXKJOQXDHLZ-CYBMUJFWSA-N 439.442 1.091 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508086934 PYQXBJBDONRIRF-QZTJIDSGSA-N 426.496 1.558 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)O[C@H](C)C1 1508094161 ZRHUKTNEUSJHCF-CABCVRRESA-N 432.550 1.576 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508135500 IVZPQAVQCSQJGP-RTBURBONSA-N 432.546 1.930 30 10 IDEE CC(C)CN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1509426437 FGKISFXXTZHJTE-INIZCTEOSA-N 432.550 1.471 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1ccnn1 1509691540 BDSHLSRYASOZRG-IBGZPJMESA-N 449.519 1.548 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1509950116 DOSLBMYGDAMZOP-OAHLLOKOSA-N 432.554 1.235 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1510284676 GEIIZWWODZAVEV-HXUWFJFHSA-N 436.582 1.857 30 10 IDEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CC1=O 1515890106 RYRBJYUAMSFBAK-KRWDZBQOSA-N 430.484 1.772 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1515995617 ZUGLPZXVEJGKEF-UHFFFAOYSA-N 448.575 1.337 30 10 IDEE CNC(=O)c1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c1 1517495904 PPENVGNDUDVPTI-SFHVURJKSA-N 437.529 1.771 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1519051708 APWYLDJTAOGHRM-MOPGFXCFSA-N 440.504 1.899 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1539015026 NMXMHZPNXGAHMC-YJBOKZPZSA-N 446.529 1.188 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1539176591 RFUJIHHIXRVEDP-INIZCTEOSA-N 439.582 1.897 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1-c1ccccc1 1539283945 DCAJXJXYYYWRPO-UHFFFAOYSA-N 428.500 1.606 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1539323337 FLRCOEFYUWALPF-KNKQGSTJSA-N 430.574 1.848 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)c1 1542685887 AJUDRKLNMRZYKY-PZJWPPBQSA-N 440.548 1.863 30 10 IDEE CCCN1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2Cl)CC1 1543856364 WYPQYYQSANNGHE-UHFFFAOYSA-N 430.896 1.645 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1548326819 CQIGYJAMHUTMIJ-QAPCUYQASA-N 428.534 1.286 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccnc3)C[C@@H]2C(N)=O)cc1C(F)(F)F 1548367572 QXSXIKCAOMXSAJ-MRXNPFEDSA-N 439.419 1.337 30 10 IDEE COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1559969529 IDGWQNOAQSPDJH-CRAIPNDOSA-N 428.464 1.899 30 10 IDEE COC(=O)[C@H](Cc1cncs1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1583832093 MSIZOOZPCBBAIZ-WBMJQRKESA-N 432.889 1.922 30 10 IDEE C#CC[C@H](COC)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1586385753 IQLDOWLYDMEGFW-DLBZAZTESA-N 444.557 1.699 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1 1587556663 RELUDCYLPJPEOM-AWEZNQCLSA-N 449.964 1.897 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC[S@](=O)CC)c1 1587693491 TWUNFBCIJOFGHK-FZEVHQGJSA-N 443.573 1.997 30 10 IDEE CN(C)C(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1595766365 AEZXGPDVGRVCRR-MRXNPFEDSA-N 431.924 1.187 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1595823856 TUEJQCGEBZVYSN-QGZVFWFLSA-N 435.481 1.326 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CCN2CCNC2=O)n1 1597084210 RJAIOJAVCXWPGS-CYBMUJFWSA-N 426.905 1.883 30 10 IDEE CC(C)(C)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1597206236 SZQVHWPBBDNLJX-PBHICJAKSA-N 433.534 1.944 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1612997241 IBWHQARKYDWIFH-VQIMIIECSA-N 428.562 1.924 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccncc1OCC(F)(F)F)c1cc[nH]n1 1617847774 YVAWULSIPYDOJF-UHFFFAOYSA-N 429.355 1.346 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1620149520 ICTGTSKHOXKHDZ-MSOLQXFVSA-N 445.545 1.547 30 10 IDEE C#CC[C@H](CCOC)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1623654846 SJJFVUAWMYSDBD-ZHRRBRCNSA-N 440.537 1.879 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1OC 1627173503 AAMNYQOFMRRORH-QGZVFWFLSA-N 447.513 1.989 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1cc[nH]n1 1630630578 BFLPWAOLTIKIGT-KRWDZBQOSA-N 444.879 1.949 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 1632183225 FWLCXPBWQIQBFC-MGPUTAFESA-N 429.498 1.431 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4cccc(F)c4)c3C(F)(F)F)C2)c(=O)nc1O 1640636513 JECMPDYALWUEOA-UHFFFAOYSA-N 448.336 1.861 30 10 IDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 1641794869 DWRRXHSOANKRHU-INIZCTEOSA-N 435.468 1.586 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1649569064 VBXLMDSEBXSBPM-YUMLTWSLSA-N 443.552 1.958 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)c(=O)nc1O 1653760317 VDHKKQQMRVIBAT-CYBMUJFWSA-N 448.266 1.564 30 10 IDEE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCO[C@@](C)(C#N)C1 1654933036 XOZIGWWTQSEKSR-QFIPXVFZSA-N 432.521 1.874 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c(C#N)cn1CCOC 1668605448 CPTKXQHZOHIAQG-CYBMUJFWSA-N 426.495 1.081 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc(-c3ccccc3F)cs2)CC1 1681978935 HZQBRYHDZQAIQT-UHFFFAOYSA-N 437.522 1.244 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1689852161 BKPOKJNAIOVGKU-CVEARBPZSA-N 433.534 1.360 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCCC2)c1 1689870375 LVUXMFJECGRSBM-SFHVURJKSA-N 436.516 1.591 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1689929671 BOWOWFBVHCIUBO-IAGOWNOFSA-N 448.618 1.933 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCN1CCC[C@H]1CO 1689960932 FBVUYYABZWHSTO-SFHVURJKSA-N 449.559 1.498 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689979945 JNZFPLMPCWPTHT-RSJDLPBQSA-N 426.608 1.720 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1690059725 WLDWFUMEXSQAMH-GFCCVEGCSA-N 445.471 1.399 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1690485643 YZZTVXJNHKUFIQ-KRWDZBQOSA-N 431.566 1.571 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(OC)CC1 1690659533 VVGBYWOMWBTRLM-OAQYLSRUSA-N 427.509 1.623 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690725258 KDUNZWQNUNJIRB-HNNXBMFYSA-N 435.525 1.276 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1691008190 FOCFUAPPKLIVAX-RDJZCZTQSA-N 441.511 1.480 30 10 IDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1691268886 GARNZKLURUUTRM-HNNXBMFYSA-N 438.554 1.445 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(COC)CCOCC2)CCOC1 1696052278 FQDVDZCFXPNCMI-NHCUHLMSSA-N 437.516 1.815 30 10 IDEE CN(C)S(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1696624617 YNRFJOOWNRCYOB-GOSISDBHSA-N 444.561 1.368 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC[C@@H]1C 1697676008 BZHVSWMGRSXMLJ-QFBILLFUSA-N 438.532 1.960 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOCC)CC1 1705495932 XTHIDRADRAWZAJ-DLBZAZTESA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705566004 LFWHIJZTXQFNJW-GHTZIAJQSA-N 448.593 1.493 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705567380 XMPMKNLBIOSONB-OHZJNBGDSA-N 437.591 1.447 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1705573756 NCYYZDFWWHKQJN-AWEZNQCLSA-N 435.550 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1705649764 GNSKPBFGQMHHLW-HOYKHHGWSA-N 436.560 1.781 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705756969 VEKOHRFEPYJWMA-UHFFFAOYSA-N 435.985 1.787 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1705771945 GHFBYRTXGNMWMR-UHFFFAOYSA-N 430.534 1.824 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705829840 DDMSQFCEVWFKLT-IRXDYDNUSA-N 444.540 1.644 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705903046 PDGUNYOXEPZFAF-QGZVFWFLSA-N 426.525 1.247 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705903870 XIEOAASISNHQLD-QGZVFWFLSA-N 441.536 1.731 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCS(=O)(=O)CC1 1706302240 QNLGHKOZKWKUDV-UHFFFAOYSA-N 430.534 1.761 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(O)CCOCC1 1710735249 CYCQPVYMDRMMBM-UHFFFAOYSA-N 441.536 1.339 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2scnc2C)CCO1 1711360137 CGHGRFFNJNDPGN-QGZVFWFLSA-N 437.529 1.776 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1Cc2ccccc2C1 1722351561 JKAQWOUQGCIORU-HXUWFJFHSA-N 443.573 1.486 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnnn1C 1722380593 RATIRXZTANZOKT-UHFFFAOYSA-N 441.499 1.486 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722628762 AXWUZGPONRYLRV-IAGOWNOFSA-N 439.582 1.268 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1722682200 YDCIFPBMWHCWDY-DLBZAZTESA-N 434.566 1.278 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722692699 VBLWKLUSEUGABI-PMXSJFBMSA-N 446.596 1.567 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCCOC)CC1 1722694654 CWPNCOZLBCQEIZ-UHFFFAOYSA-N 426.521 1.226 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722700868 XNWIERCLNQMXLA-LJQANCHMSA-N 435.536 1.616 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1722703225 XJTQAEWLJQMKIP-QFIPXVFZSA-N 426.521 1.731 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722737495 IXCUAABTMRASKH-UHFFFAOYSA-N 444.609 1.342 30 10 IDEE Cc1ncsc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1724106087 LSCYVIYTLKWCAY-LBPRGKRZSA-N 435.535 1.803 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1724549936 HDEGEPQMUPZBGS-SJLPKXTDSA-N 431.518 1.329 30 10 IDEE CO[C@]1(Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOC1 1729950783 ZIDSPSWNJCUMTA-QFIPXVFZSA-N 425.537 1.875 30 10 IDEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1730492075 KFMRKDXSVJWARW-SFHVURJKSA-N 441.511 1.583 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1730923142 AGTHIIYIADWSGV-UXHICEINSA-N 427.505 1.864 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCn2cc(Cl)cn2)cc1 1731184677 HGNVPRVKJHDVKK-UHFFFAOYSA-N 426.868 1.215 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1740623719 ZOIBBAMDZUAPIA-HZPDHXFCSA-N 437.566 1.061 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1740628368 XHJJWPJSFXJZMI-ROUUACIJSA-N 436.578 1.647 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2CCN(C(=O)OC)CC2)CC1 1740693668 HLGABNBTXAFXOK-UHFFFAOYSA-N 425.537 1.517 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCOC[C@@H]2C)CC1 1740706410 XAZYSXCLOFQFHJ-SFHVURJKSA-N 430.597 1.553 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[C@@H]2OC)CC1 1740706463 UNXUHRSWLGIPGB-AQNXPRMDSA-N 429.565 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1740759932 MVDZEAXLNNUVLK-APWZRJJASA-N 434.566 1.231 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1740764027 SZRPCYATTBNTTK-XMSQKQJNSA-N 444.580 1.686 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(C)c2C)CC1 1740839377 IUIJVHWNSCJYPL-SFHVURJKSA-N 449.581 1.104 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3nc(C)no3)C2)nnc1[C@]1(OCC)CCOC1 1740965994 UVULAXHWONPDHJ-KKSFZXQISA-N 445.524 1.308 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(C)(=O)=O 1740969587 SJGSNAWLLZVREK-UHFFFAOYSA-N 430.534 1.773 30 10 IDEE CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1743168470 XABARHRVNMIANW-KRWDZBQOSA-N 434.522 1.360 30 10 IDEE CC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1744904851 IOSCEUSAMNDJEJ-DXQAYGFFSA-N 427.509 1.419 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1747658461 XZVKGDQPXSJGAR-IEBWSBKVSA-N 443.529 1.697 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1748671568 KTCBHHDDWXEFKQ-ZNMIVQPWSA-N 431.509 1.504 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748686392 OHUWBBBEXSCASP-AUUYWEPGSA-N 438.937 1.518 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748819401 ODKGJQYWDHEXRH-QGZVFWFLSA-N 445.574 1.042 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1748943530 ABYPQHUTMSRMFZ-OAQYLSRUSA-N 443.504 1.602 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749658292 MTAJOEHJLKCJRT-VLIAUNLRSA-N 432.912 1.680 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCC)CC1 1749668848 FSPBVLLLVCGQOK-DLBZAZTESA-N 439.582 1.268 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749680999 VIBVRLMYQULWFE-OAHLLOKOSA-N 428.468 1.109 30 10 IDEE COCCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1750039206 POLPIDWBYJMXIW-JOCHJYFZSA-N 442.495 1.916 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1750897350 BNTJVFQOPZRQNF-OAQYLSRUSA-N 427.528 1.941 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760137466 KLUJBXGSWZUIAJ-MSOLQXFVSA-N 436.578 1.758 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760138283 VQZBONWDUOFCJI-ZWKOTPCHSA-N 433.578 1.575 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 1760155116 QDSWSORQGCPJJQ-DLBZAZTESA-N 441.623 1.746 30 10 IDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1760175744 QGEHARNLSOACKI-GOSISDBHSA-N 433.534 1.532 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1 1760249308 JFAPQHRZBAFBSR-MRXNPFEDSA-N 438.500 1.787 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760286157 DGRAIXUKVBWUOF-NNMXDRDESA-N 449.621 1.454 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1760690683 FOEMMYDFINJTDI-CYBMUJFWSA-N 434.522 1.569 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccnn2C)C2CC2)n1Cc1ccc(C#N)o1 1761473083 JEEXQMDRUNXDCB-ZDUSSCGKSA-N 444.521 1.304 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1762448443 WYHCTANPKJULTH-WGLILOHCSA-N 438.536 1.902 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1765434793 RAQAZBJZWBSIHN-VAMGGRTRSA-N 438.532 1.661 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1767091538 ZJSNUMZBTSPNCD-RBUKOAKNSA-N 444.561 1.919 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NC(C)(C)C 1767863140 DPQNVEAIOAHBOY-UHFFFAOYSA-N 427.509 1.654 30 10 IDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 1768917455 GMQDCDKLAQRRDW-ROUUACIJSA-N 427.484 1.229 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1769102877 MVSVWXDVGKATQA-SCYHOBCLSA-N 430.509 1.170 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1770144590 CIBCECBSGPOZEQ-MSOLQXFVSA-N 427.461 1.984 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1770156678 KTAQCJUWFMDGMM-NQIIRXRSSA-N 440.548 1.637 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C1 1771251899 CBYHTZRALHTZDW-GHTZIAJQSA-N 440.548 1.779 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C[C@H]1OC 1771338933 RTTYMJQKQQDHFX-KDURUIRLSA-N 436.472 1.576 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCn2cnnn2)c1 1771531238 GTIPUUQCGJJLSK-UHFFFAOYSA-N 446.441 1.578 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772793271 WVEUJPUEWGNJIH-UHFFFAOYSA-N 432.458 1.182 30 10 IDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C1=O)CC2 1855105539 RLODZQKDVYGVGE-PKOBYXMFSA-N 429.542 1.994 30 10 IDEE C[C@H]1C(=O)N(C(=O)COc2ccccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855735289 IPJUKXDIIZYWDG-AWEZNQCLSA-N 431.445 1.524 30 10 IDEE N#Cc1ccc(OCCN2CC[C@H](N3CCN(C(=O)[C@H]4CCCS4)C(=O)C3)C2)cc1 1856728802 PVYZEDKUXJWRFS-AZUAARDMSA-N 428.558 1.578 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1=O 1856805998 WAXZHIGQRZNNCM-TZMCWYRMSA-N 448.419 1.588 30 10 IDEE N#CCCN1CCC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 1856968167 YZRIDYFOGRWDHX-UHFFFAOYSA-N 430.530 1.874 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(OC)c2)cc1 1858963536 PVYOONTXOAAKBX-UHFFFAOYSA-N 432.454 1.439 30 10 IDEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCNC(C)=O)[C@@H]2c2ccc(O)c(O)c2)c1 1862700619 KIPFRNQAOZFPQI-LJQANCHMSA-N 426.425 1.821 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C(F)(F)F)cc1 1865722299 OGAWHUXSZYPUAY-LBPRGKRZSA-N 436.390 1.100 30 10 IDEE O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933312 CXPCYSINQYTWFW-WMZOPIPTSA-N 431.489 1.771 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O)C(=O)OC(C)(C)C 1984788668 OPLSCRJIXLRDPL-CQSZACIVSA-N 425.482 1.389 30 10 IDEE C#CCN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)CC1 2009816671 GKVPMJMNUCOCBP-XMMPIXPASA-N 426.561 1.933 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2076822445 UVOSFVZSOVFDRK-BTYIYWSLSA-N 440.346 1.270 30 10 IDEE C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCO 2186655206 PIOTTWNEDRIZEG-CQSZACIVSA-N 447.538 1.544 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)COC1 2247907762 IFQXSLVPULCWKJ-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255659355 QZXGAKZGEKGBCH-VNHYZAJKSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2255695946 MYAYZKRLPPSZCM-QLPKVWCKSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255704682 LFYQNBIJDSZFMQ-KGLIPLIRSA-N 436.314 1.679 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255821522 DDPIDTQZCBVFLR-KBPBESRZSA-N 432.330 1.553 30 10 IDEE Cc1cc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255825776 FNZASYWXCIXIMF-ZIAGYGMSSA-N 436.314 1.909 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255825848 GQHKXRIGLFVMKA-LRTDBIEQSA-N 432.330 1.696 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2267108184 FSEQILZAUUWBIU-HZSPNIEDSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267265133 AWKSJFXGUUZQBC-HOCLYGCPSA-N 447.341 1.650 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267271236 QWNAYTLHKYHWDK-QGZVFWFLSA-N 447.341 1.747 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267271862 VEGVHKDIBDVAFD-OAHLLOKOSA-N 449.357 1.729 30 10 IDEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271396274 VYIWFPLIERLFDK-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE C=CC1(N[C@]2(C(=O)O)CCOC[C@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2306608398 UTVMGFXYAVPTFJ-SPLOXXLWSA-N 441.525 1.889 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)n1C 2315632707 CUVFQYVJIULCOW-KHPPLWFESA-N 434.346 1.838 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2334278109 UTCYVAILOTYURN-KSZLIROESA-N 449.357 1.321 30 10 IDEE Cn1ncc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2352401756 QLVDFOACYHSFMT-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 21936375 DSVZPCKFBJQRDK-UHFFFAOYSA-N 429.542 1.913 30 10 IDEE N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CCNC(=O)CC3)[nH]c2cn1 38335470 CDPQFWWUMDPDSL-IBGZPJMESA-N 448.458 1.263 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 109937885 CDGVGWYVAZMLEN-KRWDZBQOSA-N 435.465 1.102 30 10 IDEE Cc1ccc(S(=O)(=O)NN=C2C[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]3CO[C@H]2O3)cc1 254438981 HNBAANRXJPVKLZ-OPYAIIAOSA-N 441.465 1.439 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 475661094 KERHUPRHAPAAJQ-QFIPXVFZSA-N 440.500 1.544 30 10 IDEE N#CCN1CCC[C@H](CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 479904802 WAUVTZZYTDLBMA-CQSZACIVSA-N 435.322 1.916 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 482306940 DTFRUDUOBTYHJR-CZUORRHYSA-N 437.468 1.471 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(c4nnc5ccccn45)CC3)CC2)o1 488241557 LEXIYAGPAUCYAC-UHFFFAOYSA-N 434.504 1.426 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 502162134 LSXUNWMQSZWXME-RHSMWYFYSA-N 444.579 1.333 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(=O)N(C)[C@H](C)C3)nnc12 506521040 BPTFNXVDTZJNHV-CYBMUJFWSA-N 426.502 1.011 30 10 IDEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508816734 KPPFCYHQUUSRTA-KRWDZBQOSA-N 435.550 1.972 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 512596044 AFFAYEXWEIYQCO-OAHLLOKOSA-N 449.349 1.248 30 10 IDEE C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 515362563 XUBOMZASDRZDHZ-MRXNPFEDSA-N 441.513 1.601 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCn3c(nnc3-c3cccnc3)C2)CC1 537249131 NBELQSIGFPTBBE-GOSISDBHSA-N 448.556 1.626 30 10 IDEE CC(=O)N1CCN(c2ccccc2CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 546923847 FEBWDKANFDXISV-UHFFFAOYSA-N 447.543 1.654 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3Cc4ccccc4C3)CC2)cc1 564382730 YJMHUBQVGAWQNI-UHFFFAOYSA-N 445.566 1.609 30 10 IDEE N#CCCn1ccc(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)n1 565980838 HPUICJBWJFEWGC-XTJCFAPMSA-N 441.491 2.215 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 570246843 BWGQDGSXHYDDMB-GOSISDBHSA-N 433.534 1.453 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCCO1 603798241 LDBBGDZTTAEKCJ-HNNXBMFYSA-N 447.944 1.008 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)CC1 613512727 PFIMWJZCPMWFME-HXUWFJFHSA-N 430.549 1.287 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 614904035 FOWIUQKBCZKHOS-OAHLLOKOSA-N 440.521 1.936 30 10 IDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670233987 GBJVRTJVKPYBNQ-MRXNPFEDSA-N 448.487 1.643 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H](C)c1cccs1 727418020 VSIGMBXOFWCKBG-CQSZACIVSA-N 443.550 1.829 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671416 IXNZQAKWEICFIH-WBVHZDCISA-N 436.537 1.855 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)CC1 733150105 ARBIIZOMQHZJHZ-UHFFFAOYSA-N 448.552 1.893 30 10 IDEE C=C(COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)C(=O)OCC 734023648 WNQGHAAMONLBBJ-UHFFFAOYSA-N 440.474 1.966 30 10 IDEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 744787300 CGPQMIJROVNPSE-AWEZNQCLSA-N 430.486 1.244 30 10 IDEE CCc1c(C(=O)OCC(=O)Nc2ccc(CC#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754344038 ALLOTRAENPGZIO-UHFFFAOYSA-N 435.440 1.056 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCCN2C(=O)COc3ccccc32)[C@H](C#N)C1 758534187 CZPZVUOMISLBHR-HZPDHXFCSA-N 443.504 1.860 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)cn1 772305446 ZIXJXEXXWYUMKX-UHFFFAOYSA-N 430.493 1.095 30 10 IDEE C#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(Cl)cc1 794068331 CDRSETVYUUNHME-KBXCAEBGSA-N 431.901 1.831 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C(N)=O)cc2)C1 797814901 GOUNHWSCEITYHB-KBMXLJTQSA-N 446.529 1.585 30 10 IDEE C[C@H](C(=O)OCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)n1cnc(C#N)n1 798741793 CYZPCFUUDJSSDD-CYBMUJFWSA-N 434.859 1.391 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 806436501 VEHBMHPNAUIAOP-SFHVURJKSA-N 428.514 1.859 30 10 IDEE CCN1CCN(c2ccc(C/N=C3/NC[C@@H]4CN(C(=O)OC(C)(C)C)CCN34)cn2)CC1 849086855 BLWWKGQEXOCWGO-LJQANCHMSA-N 443.596 1.604 30 10 IDEE COc1cc(NC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)cc(OC)c1 1084447031 ARDHJYFDGWPOBU-UHFFFAOYSA-N 442.505 1.971 30 10 IDEE C=CCN(C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1125953883 LGMKVJCEWXBRJD-IPMKNSEASA-N 436.530 1.614 30 10 IDEE CCN(C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1136732052 NRQNRAFOTHJUKG-INIZCTEOSA-N 430.571 1.846 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@]3(C(=O)OCC)CCCOC3)ccc2c1=O 1149735064 ZMMRBICDQIYGRT-NRFANRHFSA-N 431.514 1.961 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 1154958914 MLCBWVRVRASJGD-HNNXBMFYSA-N 428.352 1.331 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 1157347610 VDXDUNOPXQLHAS-SJLPKXTDSA-N 426.560 1.321 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 1175514609 ATTUXYFYMWFNEY-UHFFFAOYSA-N 445.463 1.520 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cc(C)nn2C)c1 1286312578 YGNHYNBDDKMSQS-SFHVURJKSA-N 433.516 1.928 30 10 IDEE C#CCN(c1nnc(C)n1CCOc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1286384527 RGNWLCPQQJWZIW-AWEZNQCLSA-N 443.451 1.706 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1286606554 TZFMNXUYJNMUPG-SFHVURJKSA-N 430.553 1.803 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286787770 JISOXOVPKVZVGO-HOTGVXAUSA-N 434.541 1.925 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)C1 1286807920 HKXFCTIGACGHIU-SJLPKXTDSA-N 445.545 1.484 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286823249 SHAMFISBLUFXIL-IBGZPJMESA-N 437.591 1.494 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2cccc(O)c2)CC1 1286823621 OYSVNSWYLJQOAT-UHFFFAOYSA-N 435.550 1.448 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1289087307 UIYXCGPSRJKEKV-GOSISDBHSA-N 435.488 1.714 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cn2c(-c3ccccc3)nc3ccccc32)CC1 1292889534 DNGCBRQPRNTQQD-UHFFFAOYSA-N 429.524 1.987 30 10 IDEE CCC[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1293931212 CPTIBVZBPHUCEX-MVZUJROASA-N 429.525 1.552 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1297287367 BLFJHCAOSMRNPT-IEBWSBKVSA-N 425.537 1.959 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1297626357 FAIJSYYCEVNJLP-MONBJTKQSA-N 441.532 1.988 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC)c1 1300334986 XKADUSRWTXLHQE-QGZVFWFLSA-N 445.545 1.273 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300492587 NRQMOHGFSPOVOR-ROUUACIJSA-N 445.593 1.338 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(C=C)cc2)CC1 1300681802 BGMMLPDSNOJACJ-GOSISDBHSA-N 442.589 1.529 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)OC)CC1 1300729348 WJTSYIUVWVYFPE-UHFFFAOYSA-N 427.553 1.531 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)(=O)CC1 1301459133 REZIATBLCSLQHR-UHFFFAOYSA-N 425.555 1.813 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1301520236 VNRGXUGMHIHPEE-UHFFFAOYSA-N 432.550 1.449 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1Cc1ccc(C#N)o1 1301979339 FESUCGBCWCREQT-JLSDUUJJSA-N 428.493 1.762 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 1302993924 HRDBZMXRALHKJC-CEXWTWQISA-N 438.532 1.982 30 10 IDEE Cn1c(=O)c2ccc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)nc2n(C)c1=O 1303200184 DDIPRTOOMYCJAQ-UHFFFAOYSA-N 428.298 1.331 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1 1303394406 AMZASJCVNSTKKU-NNZMDNLPSA-N 435.546 1.994 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1306422350 WXGPGTARPJRDQY-PLGXQAJASA-N 425.493 1.803 30 10 IDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1=O 1314925430 BNIZXDIKHZHUIP-UHFFFAOYSA-N 442.545 1.453 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1315812757 NOOSSKCJZCPUID-DBVUQKKJSA-N 428.512 1.958 30 10 IDEE COCCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1316007205 PCQOWSZFFXTTBF-LJQANCHMSA-N 440.552 1.998 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1358961222 UPTMCQSFNNILFX-CABCVRRESA-N 437.616 1.749 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)CC(F)(F)F)CC1 1359031068 OUSIVGIFRLUJTO-IBGZPJMESA-N 444.502 1.180 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(OC)OC)c2)CC1 1359034109 CXLYZRGAIFBBAW-UHFFFAOYSA-N 433.516 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cc(C)nn2C)CC1 1359046194 HWPMZKGSUUREGB-UHFFFAOYSA-N 437.573 1.986 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1359322130 QBRCQRBNKGMBNX-GVDBMIGSSA-N 445.486 1.826 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359334059 RQGVLFZQJKTFQO-HUUCEWRRSA-N 438.531 1.645 30 10 IDEE C[C@](O)(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1360723476 AJGHICYFDABPKG-NDXORKPFSA-N 447.536 1.920 30 10 IDEE Cn1ccc(NC(=O)CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)n1 1448722888 WMSSCUSOSHOOFM-LJQANCHMSA-N 438.488 1.881 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1449420989 FFGYFLSQELEWOH-HNNXBMFYSA-N 432.864 1.850 30 10 IDEE C=CCCOCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451446064 LRIAASRDIGDDAR-ZWKOTPCHSA-N 436.553 1.973 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1456477193 CNWYKZZVMQXOHW-HNNXBMFYSA-N 440.525 1.730 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nc(CO)cs2)CC1 1459280279 BRWDAHCEPHBVOJ-UHFFFAOYSA-N 438.556 1.132 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3sccc3S(=O)(=O)N3CCSCC3)CC2)C1 1463084612 AITGUGZHFUONBH-UHFFFAOYSA-N 442.584 1.964 30 10 IDEE Cc1ccc(C(=O)N[C@H](C)C(=O)NCCc2ccccc2)cc1S(=O)(=O)NCC#N 1468749465 ISIGCNFPSGOVKF-MRXNPFEDSA-N 428.514 1.274 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1471193265 ABSYVHIXOKIXHX-UHFFFAOYSA-N 449.573 1.904 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1471308761 NLEXRCRTSDWARJ-MRXNPFEDSA-N 442.545 1.605 30 10 IDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1478419910 HFWKTLIPQXSOKS-CVEARBPZSA-N 428.411 1.635 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)C1 1503724590 FALBDZPSDGORGK-GAJHUEQPSA-N 437.548 1.500 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccccn3)n2CCOCCCO)CC1 1505319631 DUPYCWOFYCDICD-UHFFFAOYSA-N 448.531 1.256 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507589794 ZZPZJGBFWMOLJR-MSOLQXFVSA-N 436.578 1.616 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1507592104 PVQIZBNTMOOTCF-ZDUSSCGKSA-N 444.483 1.982 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507595446 QELZBSFNGVQSIE-PMACEKPBSA-N 430.597 1.855 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCN(CC)CC1 1507612583 GRMGSYZUMMYPCX-UHFFFAOYSA-N 434.548 1.691 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1507622629 JXYNSVRDLBLLMG-BBWFWOEESA-N 439.582 1.104 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507628265 WBBCFQKIOLXNRK-GOSISDBHSA-N 447.517 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C 1507644429 HURQYZGRKKMXPF-QGZVFWFLSA-N 428.562 1.218 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1NC(=O)CC1(C)C 1507711339 UHZFWAINESLZGZ-RTBURBONSA-N 439.516 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[C@@H]2CCCCO2)CC1 1507737880 GQNKVWTTWKULAN-OALUTQOASA-N 442.564 1.544 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1507954364 MAFIOALTBASVJL-ZWKOTPCHSA-N 425.599 1.693 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1514138102 GQTLYVJMAWAIPG-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CCCCN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1514439089 XMFIWIFVCZASSW-FMQUCBEESA-N 426.525 1.902 30 10 IDEE COc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1OC 1518227868 AGNNETSNBMVAGB-QGZVFWFLSA-N 440.504 1.389 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)COC 1518710069 CNACMQKPFGAVBE-VCBZYWHSSA-N 442.520 1.820 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1538975728 CQXJZXJEEOLJLL-HTAPYJJXSA-N 446.573 1.981 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@@H]1C 1539002569 UZZBQECMXZXKMS-SJORKVTESA-N 445.593 1.417 30 10 IDEE COC(=O)c1ccc2c(n1)CCCN2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1539009957 NDJFDFKFDXQHGB-UHFFFAOYSA-N 428.470 1.653 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539075694 FICWCNXHWHNDIM-OAQYLSRUSA-N 435.576 1.810 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539226014 SGLIXTQAZIXHQU-ICSRJNTNSA-N 449.621 1.358 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCCS2(=O)=O)CC1 1539468314 DGDJTEWYWREZGD-SJLPKXTDSA-N 435.594 1.725 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539733885 SOJYXTLQQIGFLP-FXAWDEMLSA-N 441.598 1.660 30 10 IDEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1539759038 OGWUCWKTKRTMGN-UHFFFAOYSA-N 436.534 1.693 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ncn(C)n1 1540154484 YHDNHHYJGNTJEG-UHFFFAOYSA-N 442.549 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2)C1 1540904471 NIBCWNCGAREXFN-RBUKOAKNSA-N 432.546 1.961 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545389856 OSOIVENYXHSVST-ZORYNNOPSA-N 427.509 1.033 30 10 IDEE CCS(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NCCOC)C1 1548367725 JPNSRQUKPGWDJX-INIZCTEOSA-N 448.467 1.180 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1555719670 INZGHRKAGGQRFC-FQEVSTJZSA-N 440.548 1.638 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1555992736 ARZODZPPJPYEIY-DOMZBBRYSA-N 447.858 1.455 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 1556317521 CSFTWWVOZPTMHN-UHFFFAOYSA-N 436.440 1.780 30 10 IDEE C#C[C@@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1 1556781482 HPLVWHFDVPHSCZ-DNVCBOLYSA-N 448.317 1.855 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)C1 1557243610 WHESSCPLBOWOIX-AZUAARDMSA-N 434.500 1.786 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 1561588146 SIIHFQOTAQWJDO-OAHLLOKOSA-N 427.523 1.109 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3cccc(OCC(N)=O)c3)C2)C1 1566154986 LRRVMYRIYBPHRD-BNGSBABLSA-N 442.516 1.954 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1585387064 ZOQNVXZCZGZAOU-SCLBCKFNSA-N 433.511 1.011 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1585535198 VKFSMCVDZBPZEC-HNNXBMFYSA-N 449.309 1.641 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnc4c(c3)CNC4=O)CC2)cc1 1586288949 ANIZCEKTUQWETP-UHFFFAOYSA-N 425.470 1.236 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1586830749 IAUXNLHJCHXLKZ-KRWDZBQOSA-N 430.505 1.959 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3Cc4ccccc4NC3=O)CC2)cc1 1587015603 ICAYNPBWVHHIKX-HXUWFJFHSA-N 438.509 1.639 30 10 IDEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1587807967 LPAWWTBHUKUWGG-INIZCTEOSA-N 433.582 1.758 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1588064399 HPMUUVKMLSLGHW-IBGZPJMESA-N 442.589 1.375 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588065109 UPCKIDWAJFSJFO-QUCCMNQESA-N 444.605 1.621 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588752422 SDWCTHUQDMKSBF-FXAWDEMLSA-N 439.507 1.498 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588858194 ZLJGBLVDFKNECW-HKUYNNGSSA-N 430.578 1.441 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2cnc3c(Cl)cnn3c2)CC1 1588891622 RKPZXLSRYCQXOR-UHFFFAOYSA-N 426.912 1.491 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1589069146 IWZXAZXTKSUEDU-KRWDZBQOSA-N 440.577 1.389 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1593735260 AUYWSLUZHWUMTL-OAHLLOKOSA-N 439.520 1.485 30 10 IDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1)C1CC1 1595026583 PACJUMBODCYPHO-QFIPXVFZSA-N 433.553 1.722 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1595551827 WEXWVPWGWKENOD-GOSISDBHSA-N 429.569 1.888 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC2CCOCC2)CC1 1595562237 QXWBIULSRXMNFC-UHFFFAOYSA-N 439.564 1.115 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595797429 GJTKKPCXNNNQFX-SFHVURJKSA-N 437.610 1.695 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1597349799 ACEUDLHMVFFZMV-WUKBZCGHSA-N 444.536 1.389 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612895539 PPFQDGWLOBINMK-DDGYMSLBSA-N 430.509 1.312 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CC1 1623294716 DHFCEQBMJKRGMO-UHFFFAOYSA-N 441.504 1.572 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccc(I)cc2Cl)c(=O)nc1O 1624488135 RWJCJTUPIHIVIZ-UHFFFAOYSA-N 430.589 1.717 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)CC3CC3)C2)C1 1629900509 JTTMRIYYGJLPIA-NGEICVOHSA-N 425.551 1.714 30 10 IDEE Cc1csc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1I 1630030368 DWCOIHJKVPUWGC-UHFFFAOYSA-N 430.227 1.225 30 10 IDEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@H](C(N)=O)c1cccc(Br)c1 1632917416 SVWBQKURFQTALS-XIGQLOAZSA-N 435.278 1.350 30 10 IDEE CN1CCC(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)(N2CCOCC2)CC1 1636146574 FVBNHJOJCWQKGR-QFIPXVFZSA-N 440.592 1.203 30 10 IDEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1640408817 JEOGIVBABGZINI-JJCDCTGGSA-N 431.562 1.724 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(c3ncns3)CC2)C1 1641149950 ZXAPUGMYBDGPGU-UHFFFAOYSA-N 433.335 1.957 30 10 IDEE C#CCN1CCN(C(=O)Cn2c(=O)c3c(ncn3CCCCC)n(CCCC)c2=O)CC1 1652577538 BKFBEOUFTHNVQD-UHFFFAOYSA-N 442.564 1.127 30 10 IDEE CS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1662215444 DFCPDPVBJAHDLY-JTQLQIEISA-N 439.328 1.905 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)OC 1665500669 ATWJPZZNSJEZOZ-CYBMUJFWSA-N 444.453 1.313 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(C(=O)OC)c2Br)C1=O 1668857882 JJPQUVGHDFSIHU-GFCCVEGCSA-N 431.308 1.643 30 10 IDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1686548879 PKCLCDRHULTZSS-GOSISDBHSA-N 442.545 1.990 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689986406 PBEALGZHXSCXHX-IRXDYDNUSA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689988551 RQOQZKOJWUJGIL-RBUKOAKNSA-N 445.593 1.180 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1690019247 DRPCSIHZVWLPOV-FQEVSTJZSA-N 437.569 1.684 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1690020113 YYASGGCRRFOALU-GOSISDBHSA-N 428.562 1.606 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)N(C)C)c1 1690025542 VKDKATUJSRTNBF-UHFFFAOYSA-N 432.528 1.418 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2ccnn2)CC1 1690115112 SHSSWKSAQVHMKF-UHFFFAOYSA-N 442.474 1.984 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCSCC(F)(F)F)CC1 1690132078 GNNONZWGXCJGRI-UHFFFAOYSA-N 430.500 1.451 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1690246533 VJTKQXHWTKUERD-HBFSDRIKSA-N 433.553 1.796 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)C1 1690661185 WMSJUKFSGMJEAZ-DOTOQJQBSA-N 432.550 1.184 30 10 IDEE CC1=CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1693296578 DTYNMHMMSCFONY-KRWDZBQOSA-N 432.506 1.280 30 10 IDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1695800727 BJJRFVLEIGSYJJ-HNNXBMFYSA-N 435.492 1.055 30 10 IDEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1697224613 HBAFWSPEQFOHGQ-WMLDXEAASA-N 428.534 1.680 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1697781290 IGBJSZFDODQEEI-RDGPPVDQSA-N 447.536 1.908 30 10 IDEE COCCOC1(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1698180366 PMPZWDUGFGRAJD-LJQANCHMSA-N 442.520 1.205 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698282934 XKAKDLCTWUQUSM-JLUOLNIDSA-N 433.472 1.568 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705563655 BTJDBCGSJWTBMN-IBGZPJMESA-N 437.525 1.915 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1705614043 WFOKVHVPGPWKHB-MRXNPFEDSA-N 439.582 1.897 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNS(C)(=O)=O)CC1 1705776716 NRSTXTXJOJPLRA-LJQANCHMSA-N 427.571 1.270 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705829630 YAEIMODKNOANTP-MOPGFXCFSA-N 431.585 1.038 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1705937520 WRAHUPSGAPYIJD-CQSZACIVSA-N 435.516 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(N2CCCCC2)CC1 1705938283 UAUGXELRUPFCIX-UHFFFAOYSA-N 425.599 1.870 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1709938549 QIZBTTQHDPCELF-GOSISDBHSA-N 430.534 1.356 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1711225396 WDYMVQDVAXDHJW-UHFFFAOYSA-N 448.480 1.495 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O 1722278974 NTBFDWJURNDQHW-AWEZNQCLSA-N 431.566 1.531 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCCNC(C)=O)c1 1722307229 KIGUNMAONOXGHF-UHFFFAOYSA-N 445.527 1.846 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCOC[C@@H]2OC)c1 1722307396 NBRBUXINURLLJU-QUCCMNQESA-N 441.532 1.922 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1722380079 CAIGNBCRYKVEMI-UHFFFAOYSA-N 426.484 1.355 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)CC1 1722436490 ABYGVMCGESTZJX-IBGZPJMESA-N 445.564 1.707 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1722437540 FBTSNQNUPCINEM-NRFANRHFSA-N 436.539 1.876 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOC[C@@H]1CCCO1 1722467234 OZXUMLVULOURBN-ABSDTBQOSA-N 439.582 1.466 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722494300 OILHHRJPUWTDCX-XWSJACJDSA-N 433.553 1.782 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)NC 1722655623 HMVSLYGGSVUDSK-GOSISDBHSA-N 430.534 1.743 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCCC2=O)CC1 1722692802 XFJKLNYRXXGSQC-UHFFFAOYSA-N 445.568 1.090 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722858509 PWQZARIVALSFGG-OAHLLOKOSA-N 449.519 1.750 30 10 IDEE Cc1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)no1 1724211033 USYZMAWFTCXVBF-UHFFFAOYSA-N 444.517 1.811 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1727801214 HZVUZLKZZVCYIZ-JLXAXMFCSA-N 437.504 1.870 30 10 IDEE CCOC1CC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1728914708 CUVSHNZGJFAYAX-DXCLHELWSA-N 425.530 1.827 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740566569 HZXPYXAXZOHHCJ-RBUKOAKNSA-N 437.548 1.886 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1740610417 ZVTLUMGBTGCMJY-HOTGVXAUSA-N 425.555 1.410 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCN(C)C1 1740632460 JQWKFAZGKGPXFO-HXUWFJFHSA-N 428.334 1.847 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccs1 1740636984 LEOPRWBAIBOLLS-UHFFFAOYSA-N 425.543 1.816 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1740638232 LLHGXICZUYHUBG-MFMCRYCZSA-N 441.576 1.515 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1nnc2n1CCCCC2 1740644295 AGRWWHYNQMFOMA-UHFFFAOYSA-N 434.548 1.538 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740800714 HSBICTSIGIAZOO-RHSMWYFYSA-N 437.976 1.158 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740819055 BSLQUJXYALDNSQ-GCJKJVERSA-N 433.553 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCOCC1 1740958500 BPNPHBRDXUSDAR-UHFFFAOYSA-N 437.504 1.204 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)N(C)C)C1 1740977743 KGJUJKUPWBSMGO-QGZVFWFLSA-N 427.505 1.976 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(C(=O)OC)CC2)C1 1740978898 FBKHCPOJAYMCOR-DLBZAZTESA-N 432.525 1.489 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1741001244 OUHXRZFHQWKDNO-IRXDYDNUSA-N 447.609 1.731 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1741124907 GXYVDAKZXNVVQQ-HNNXBMFYSA-N 432.550 1.859 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1741634516 BIAPMMUFPISUFL-IRXDYDNUSA-N 440.552 1.823 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H](C)N(C)C)n1 1742708065 FLLXRYIUIXPIAF-IBGZPJMESA-N 448.579 1.683 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C)(C#N)CC2)CC1 1746464491 MEPAIQAECRMMJP-LJQANCHMSA-N 442.612 1.777 30 10 IDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 1748008511 FWNGTICYSNYTJX-INIZCTEOSA-N 432.554 1.090 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CCO1 1748205840 AAHMILZPGRWODM-FQEVSTJZSA-N 446.515 1.277 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCOCC1 1748656045 KGDXBPIWKUPHBO-ZWKOTPCHSA-N 435.536 1.347 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1748674791 XZKZGGBBLKVWGL-NVXWUHKLSA-N 429.525 1.826 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1748750944 AAVYOLYNYNWCFE-IERDGZPVSA-N 432.521 1.831 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1748770573 BYAVXXQNMOQUMN-NRFANRHFSA-N 448.545 1.482 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1NC(=O)CC1(C)C 1748776770 PJTFHIVRIPIFGQ-QGZVFWFLSA-N 444.561 1.180 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1748808113 ICGVPPYEXTYFEV-KRWDZBQOSA-N 445.545 1.059 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1748863778 GZQHCCDNSJNOSH-SFHVURJKSA-N 434.610 1.616 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOC(C)(C)C)CC1 1749001231 MWAUTEYFBYXOCE-UHFFFAOYSA-N 446.596 1.977 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1749494624 VGYSKLWBMLZHIA-CQSZACIVSA-N 429.543 1.253 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(NC(=O)OC(C)(C)C)COC1 1749506758 NAPGRCDNNVSWCC-HOTGVXAUSA-N 437.541 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@](C)(CC)C1 1749666176 IONBCSOQGXOYBX-JOCHJYFZSA-N 437.504 1.901 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1749755961 OQMIMDXWUFONER-OAHLLOKOSA-N 428.580 1.489 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnnn1CC1CC1 1760223241 AHLPOXMSPWTKRA-UHFFFAOYSA-N 449.544 1.177 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@H]1C 1760239937 BGUQZFGQRAZOMO-GOSISDBHSA-N 442.539 1.916 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760283903 CIPHXDNBQLDKRH-OAHLLOKOSA-N 431.522 1.036 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760554739 LKLRPKOYBPBNHI-NRFANRHFSA-N 447.536 1.325 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1761361780 OZOGNWBSJWIYTA-ZBFHGGJFSA-N 435.492 1.243 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1761364796 TYWFUOGMZZBBOR-ZFWWWQNUSA-N 429.456 1.723 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)C1 1761544472 FBCZRWYFAWDHBU-HXUWFJFHSA-N 429.550 1.429 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1763033985 ALIYSFALDRGROE-DOTOQJQBSA-N 442.545 1.308 30 10 IDEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766055754 ICBGHEKQXCGHSB-OAHLLOKOSA-N 432.525 1.928 30 10 IDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1766532603 CLPLUPZNQOVCTI-SFHVURJKSA-N 441.511 1.993 30 10 IDEE CN(C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1767003261 XZOVGDHDKLELML-QGZVFWFLSA-N 434.522 1.503 30 10 IDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1768124697 LDOOIWRBPLUSOJ-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE COc1cccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1768773479 BHOPJISFLNLSBT-QQMHEVNUSA-N 438.488 1.705 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)N1CCOCC1 1768906690 AESLAJYUAUSMFW-KRWDZBQOSA-N 426.521 1.722 30 10 IDEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1768922254 BJONJTSZUNPCNE-CQSZACIVSA-N 434.488 1.414 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1770352235 WXUHSMULAUREDE-QGZVFWFLSA-N 434.522 1.551 30 10 IDEE C[S@](=O)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CC1 1771368124 BAVVPIDKQUWGEZ-LJAQVGFWSA-N 447.586 2.000 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1772887420 SSCDFIMILAAHJT-KRWDZBQOSA-N 447.565 1.353 30 10 IDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CN2CCN1CC2)c1ccc(Br)cc1F 1852432480 PXANKVFASJYMTH-OAHLLOKOSA-N 442.358 1.796 30 10 IDEE Cc1cc(S(C)(=O)=O)ccc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852657741 QSYLHRHBTHPPAR-UHFFFAOYSA-N 428.514 1.644 30 10 IDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1853000010 HWZUOXRDHJZLOC-ROUUACIJSA-N 442.516 1.919 30 10 IDEE C=CCN1C[C@@H](C(=O)Nc2cnc(I)cc2C(=O)OC)CC1=O 1853301089 JRNJTEXQCNATDV-VIFPVBQESA-N 429.214 1.446 30 10 IDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCCN(C4CCSCC4)CC3)C2=O)ccn1 1855104611 PUHBGJCDCRMARJ-HXUWFJFHSA-N 427.574 1.988 30 10 IDEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)C12CCCCC2 1856637781 WLNPUPOSWRAGIR-UHFFFAOYSA-N 436.578 1.478 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(-c3ccc(F)cc3)c(O)n2)CC1 1858578619 SYOHGEQEQGIMHO-UHFFFAOYSA-N 440.460 1.766 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(CC)cc2)c(=O)cc1CN(CCO)CCO 1870722961 HAMUXGHRCVLYIJ-UHFFFAOYSA-N 429.517 1.401 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871010995 VMSQWGIQHXJOFX-UHFFFAOYSA-N 437.544 1.360 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1871034693 ZZSLZNQXOYNHJC-UHFFFAOYSA-N 428.445 1.792 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248406310 WYFVKUUXCASYKO-BXUZGUMPSA-N 441.359 1.333 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248445061 HMKYZXUAMLUTLA-ZNMIVQPWSA-N 426.319 1.021 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2248475560 CWBXOJWXTPKCJI-JLTOFOAXSA-N 426.319 1.023 30 10 IDEE CCc1nn(C)c(C(=O)N(C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255630675 NKLPBZYIYXSIOP-UHFFFAOYSA-N 436.362 1.878 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255694069 LHIVREHZCSOBEV-ZDUSSCGKSA-N 435.334 1.196 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CC[C@H]1OCc1ccccc1 2255880848 LVQQUKDELNJZNH-IAGOWNOFSA-N 426.326 1.934 30 10 IDEE Cn1nc(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2267134680 SRXADSNSXCWFDD-ROUUACIJSA-N 436.365 1.970 30 10 IDEE CN(CCOCCNC(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267273692 QEOSAKYNBWTXLR-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267456725 KWSGGBDMJIBYGR-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)nc2)OC1(C)C 2267588073 GXSCTJQOFVCQKC-ZDUSSCGKSA-N 441.259 1.912 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268640758 YUZYFFWOIJXUGH-MRXNPFEDSA-N 446.357 1.870 30 10 IDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@H]1CNC(=O)CN1C(=O)OC(C)(C)C 2268651537 OWSHHBFFMQVCTN-MRXNPFEDSA-N 449.357 1.924 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2269074580 RPWUCMWWHMLRIQ-JOCHJYFZSA-N 440.309 1.168 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(N(C)C)cc2)CC1=O 2329020341 LARQVCQTFUUKEI-OAHLLOKOSA-N 429.550 1.528 30 10 IDEE O=C(Nc1ccccc1O)C(=O)/C(C(=O)c1ccccc1)=C1/N=c2ccccc2=NC1=O 208241860 WSUBEPMMQBRSHW-FMQUCBEESA-N 425.400 1.516 30 10 IDEE N#Cc1ccc(S(=O)(=O)Nc2nc(CN3CCN(c4nccs4)CC3)cs2)cn1 434972071 MLTMPXGXWRWNJZ-UHFFFAOYSA-N 447.571 1.989 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 436463237 XAYNGRQQYBFOKH-RBUKOAKNSA-N 426.498 1.832 30 10 IDEE CSCc1noc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 437138265 WGYHPDHIPLUYHJ-UHFFFAOYSA-N 435.531 1.270 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cn2)CC1 464821781 ITXBHEBMVNFUDP-GOSISDBHSA-N 449.563 1.305 30 10 IDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 472502985 PJJNPPLNESOGTO-SFHVURJKSA-N 432.362 1.709 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 475551684 LGOHKEYEICUJRJ-UHFFFAOYSA-N 436.559 1.668 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2C)CC1 486116934 OCDBURLZAMYGQA-CVDCTZTESA-N 437.544 1.705 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 500462047 LNYFYAVVCFIDSB-UHFFFAOYSA-N 426.498 1.921 30 10 IDEE CCN1CC[C@H]2OCCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)[C@H]2C1 502693578 IYICVKSPQDQAED-CEXWTWQISA-N 425.489 1.085 30 10 IDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 506050983 HAIQKGRZYIKKMW-UHFFFAOYSA-N 435.506 1.053 30 10 IDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 508817901 PZGZEXHZSVJIFH-UHFFFAOYSA-N 425.493 1.899 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(CC)s2)CC1 508940662 ZCEWQCXGSBDWKO-CYBMUJFWSA-N 425.584 1.420 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 511083873 XSSXEMRGMJUEPF-UHFFFAOYSA-N 432.480 1.937 30 10 IDEE CCN1CCN(C(=O)CC2CCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)CC1 519501428 DFACDIKDXIPDIC-UHFFFAOYSA-N 431.562 1.787 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1 537291886 YOROCMGYOJFYNU-SESVDKBCSA-N 427.524 1.525 30 10 IDEE Cc1cccc(NC(=O)[C@@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)n1 538147066 DMVORIKRXHWZNA-UXHICEINSA-N 426.565 1.733 30 10 IDEE Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N(C)CCOCc1ccc(C#N)cc1 561756545 HGTIRXACGZKSCG-UHFFFAOYSA-N 445.487 1.411 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@H]1CCCO1 603990142 NCJHJWSTYMMPAC-MRXNPFEDSA-N 427.482 1.725 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)c1C 609767236 WYEFHESOBXXBML-UHFFFAOYSA-N 449.554 1.879 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730141118 NAFQNEGFUKGEJP-DLBZAZTESA-N 447.605 1.827 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(OC)nc3)c2=O)cn1 732564874 SGFWQTXIHMVTIY-UHFFFAOYSA-N 435.509 1.391 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)ccc1F 751231723 NTQKDPWYVQJGJO-OAHLLOKOSA-N 447.488 1.834 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 759915522 DSJUUZJRJVEULF-HBWVRPOVSA-N 449.577 1.828 30 10 IDEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 760628267 QSBBOVKKBRINTK-KRWDZBQOSA-N 444.513 1.191 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774036225 KYPLAIUWPXSYSN-MRXNPFEDSA-N 425.532 1.124 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781136320 KNQBZZYPMJQZSE-QGZVFWFLSA-N 445.548 1.859 30 10 IDEE CSc1nc(O)c(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1C#N 787325876 RPNONMPLOZONOU-UHFFFAOYSA-N 425.514 1.979 30 10 IDEE CC(C)C(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790840193 WITXQNFDKWSBFW-AWEZNQCLSA-N 428.308 1.773 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CC(N3CCCCC3)C2)C1=O 794442212 SWDYKAGFZBVFHO-ABHNRTSZSA-N 443.573 1.870 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 794579727 NIJFMFSHSWNGEQ-MRXNPFEDSA-N 442.585 1.948 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=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 800429168 AFJSMQITNLMRON-OGMYNJMZSA-N 425.510 1.765 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CNCN(c2ccc(Cl)cc2)C1 809891978 FYWJXZHDFTWABO-CYBMUJFWSA-N 425.946 1.516 30 10 IDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3ccccc3C#N)C2=O)cc1 916775171 MIOSJCVHEJKNBZ-OAQYLSRUSA-N 440.481 1.280 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)cc1 1084447097 DEHLNLNASDAXHP-UHFFFAOYSA-N 441.517 1.864 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C1 1136517207 UMKSQQFJFNHTRY-CQSZACIVSA-N 448.365 1.461 30 10 IDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 1140993216 FKFOCEJBPQOMIX-WJOKGBTCSA-N 445.545 1.453 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1141380440 PPLKOQZAHIMDAG-CQSZACIVSA-N 425.850 1.566 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc2ccc(C)cn12 1142553718 CHHBWIKZMMXZKJ-INIZCTEOSA-N 440.529 1.951 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)n[nH]2)c1C 1157515715 RLZKVNGLYJSPSE-AWEZNQCLSA-N 448.471 1.628 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)CC2=O)cn1 1163652180 LSDFHYJJLKHNLI-UYAOXDASSA-N 436.516 1.491 30 10 IDEE Cc1csc(CC2(O)CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n1 1166307305 JSGZLBPOKCDEAR-UHFFFAOYSA-N 448.570 1.772 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OCC 1176173346 OTMXCLXWDJDXHQ-CQSZACIVSA-N 425.438 1.810 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)c1C#N 1251909886 BMXDZCCOTHSGQC-SFHVURJKSA-N 425.468 1.376 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 1264809865 YQVCNAVUEYYQJD-UHFFFAOYSA-N 433.424 1.958 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nc(S(C)(=O)=O)ccc2Cl)[C@H](C#N)C1 1265833399 DLKBXTWVACBESP-LLVKDONJSA-N 428.898 1.724 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]2C)c1 1286307796 AUTZABDYXJRFGB-VYDXJSESSA-N 444.561 1.601 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286386590 DHVYAIGOTPOSCK-AEFFLSMTSA-N 428.562 1.450 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1286397912 RGPUCVBYCDFMBI-HNNXBMFYSA-N 432.575 1.516 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCOCC2)CC1 1286486367 LSYVNZPRGRVYEI-UHFFFAOYSA-N 444.580 1.589 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286537062 VUFRTVASGYPJSK-CYBMUJFWSA-N 434.298 1.655 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1288524331 BTQYWLVRXSNBTP-ZIAGYGMSSA-N 436.563 1.410 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)Cn2nc(Br)c(Br)n2)c1 1291814747 SYHZHWYHLKNZEH-UHFFFAOYSA-N 441.083 1.539 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)CC1 1292889724 LLQPSMBVWTWXKY-HNNXBMFYSA-N 449.577 1.626 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(Br)no1 1298085809 JXGPGVVRHKQIIN-UHFFFAOYSA-N 427.280 1.572 30 10 IDEE COC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CCCC1 1299809890 HWMATGMCGXOQNI-CVEARBPZSA-N 440.570 1.309 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCCCCS(N)(=O)=O)CC3)n[nH]2)cc1 1300413877 BOTGQGRGJCIWQG-UHFFFAOYSA-N 430.534 1.446 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1300766198 WKMSGYNVDSPEHE-LJQANCHMSA-N 427.574 1.765 30 10 IDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300948857 DZDNAYZCPSKJTB-QZTJIDSGSA-N 439.582 1.727 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1301501532 YXRPZAONKDMDIB-NRFANRHFSA-N 449.559 1.668 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC(=O)NC)cc1 1301524664 DABHQDIJNYJZPM-QGZVFWFLSA-N 447.561 1.366 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1301524802 DKHTWSOPOLLLLZ-ICSRJNTNSA-N 441.532 1.736 30 10 IDEE COCCCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1301619894 GLMYXGIRPHXULK-HZPDHXFCSA-N 449.533 1.325 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1301798514 JCCSXQIUKDKEHR-UHFFFAOYSA-N 439.520 1.911 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1303405485 VXDUWWNNWYAEPH-MOPGFXCFSA-N 445.568 1.179 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1306418915 YGKSUILIIQQSAY-YSRXLGAZSA-N 437.504 1.870 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 1308042512 BRJBJZTXUCHPDA-UHFFFAOYSA-N 438.513 1.839 30 10 IDEE Cc1ccc(O)c[n+]1/C(C(=S)NCCN1CCOCC1)=C(/O)c1ccc(C#N)cc1 1320337071 XFZRXCBSXFAUMJ-UHFFFAOYSA-O 425.534 1.993 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCC(=O)N1CCOCC1 1358899943 XVASNVVMTSWJTG-SFHVURJKSA-N 441.532 1.963 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1359020076 QKPJXUNQCRVMBB-UHFFFAOYSA-N 443.533 1.104 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1359035197 OCIKMQRWGFYLTP-NRFANRHFSA-N 436.560 1.586 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccs2)CC1 1359035857 GVHHVIISIHPHHC-KRWDZBQOSA-N 447.630 1.975 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@@H](C)C2)CC1 1359040253 NOPUOHDZWHJQMQ-GOSISDBHSA-N 443.596 1.114 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359062801 TZDUDXLOHKUMTK-UTKZUKDTSA-N 448.593 1.241 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1359105107 KBZLZYITXQQMFE-BZDHPDOMSA-N 433.553 1.626 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359183177 FBRFFBKVTJKTBG-LSDHHAIUSA-N 447.627 1.504 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1359292090 IDFNDGPPCJVNFT-UHFFFAOYSA-N 445.612 1.521 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H](C)CC(N)=O 1359296454 JZHXWCWZCCGDIO-GFCCVEGCSA-N 435.326 1.710 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1359620139 LPHFNFVBLOCPGQ-VQTJNVASSA-N 438.532 1.973 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1360201083 ZUVYGNVNFQKJTG-DXQAYGFFSA-N 443.552 1.815 30 10 IDEE C#CCN(C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C1CCN(C)CC1 1439605265 TUGXKOTWKFDAPL-ZDUSSCGKSA-N 432.318 1.990 30 10 IDEE CCN(CC)c1ccc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c(=O)oc2c1 1439796951 PORJZYRQVBCALS-YCRPNKLZSA-N 429.498 1.650 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)cc1 1456395157 MSJKRTSOWAQUHU-OAQYLSRUSA-N 436.530 1.461 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(I)ccc1-n1cnnn1 1461046761 PUULSVQLPBYJLX-HZMBPMFUSA-N 425.230 1.588 30 10 IDEE C#CCN(C(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1)[C@@H]1CCS(=O)(=O)C1 1464388209 RIODITZFZQPCSG-OAHLLOKOSA-N 440.447 1.795 30 10 IDEE Cc1cc(C#N)cnc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1471435394 QHMBOYLLKWTDJU-BBWFWOEESA-N 441.488 1.916 30 10 IDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1471972725 NJPMYYBVNYGXBX-GOSISDBHSA-N 435.933 1.988 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1493168856 IEBXTDIKQKUBDH-AWEZNQCLSA-N 430.472 1.026 30 10 IDEE CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1503818078 UESZHOPNOXHYKQ-FQEVSTJZSA-N 449.559 1.867 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN(C)S(=O)(=O)CC 1507605896 XJNALMCBRJIDKK-UHFFFAOYSA-N 446.577 1.888 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1507627634 FFYUBOXTMCHKIB-HNNXBMFYSA-N 447.536 1.483 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507630570 CICGCLJMNBTRSI-KRWDZBQOSA-N 444.561 1.349 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507630722 GKRJILWNOIGCTH-UTKZUKDTSA-N 446.577 1.247 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1507631115 BIQMDKKDRGVPFH-HZPDHXFCSA-N 435.575 1.530 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507635714 YUPXQQZZLNEBLZ-ZDUSSCGKSA-N 449.499 1.172 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1507642302 RXZJLVPARHIXHQ-NRFANRHFSA-N 436.578 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccnc1C 1507664806 PLCRVJATUBJPSA-UHFFFAOYSA-N 438.499 1.725 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2COCCO2)CC1 1507734996 GUNWGRYHNUZBRK-HXUWFJFHSA-N 439.516 1.335 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1507766854 ZUYPQVGSZIROLX-OAQYLSRUSA-N 444.557 1.886 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1508074326 RYAMKGZNFRDNMI-HNNXBMFYSA-N 448.474 1.811 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1508080901 FTKIEYADSTXLAK-JKSUJKDBSA-N 443.552 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1508139165 DJFCEWACOPKVKR-RCCFBDPRSA-N 431.562 1.968 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1517242686 KQEHOQLXDSCEJZ-FUFIUMIBSA-N 430.509 1.519 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1539011645 CNZRQYARCYIRLG-QFBILLFUSA-N 447.561 1.516 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1539180065 VZYUITHJJINQMM-GOSISDBHSA-N 429.546 1.135 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1539744543 PIOPKLMGWPLSKC-QGZVFWFLSA-N 434.541 1.737 30 10 IDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(CCC#N)c1C 1546018234 VPUKDHITDKDOBU-UHFFFAOYSA-N 446.533 1.810 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2ccco2)N(C)C)CCOC1 1547917950 CRRFVBPIGMVBED-XGHQBKJUSA-N 430.509 1.555 30 10 IDEE COCCOCCn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555723151 PBQGVPGOESKOCU-UHFFFAOYSA-N 442.568 1.839 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(Cl)cn1 1555752946 IGIOWSPUKKSHJT-ZVZYQTTQSA-N 448.911 1.858 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1555816515 ORVNOMAQEHOSFU-MRXNPFEDSA-N 427.893 1.375 30 10 IDEE CCOC(=O)C[C@@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1556833400 XXPPFEVIEAWLKM-LPHOPBHVSA-N 431.489 1.823 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCN(C)CC1 1563968044 XWDWXKJEHAYQBM-LJQANCHMSA-N 441.580 1.021 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1565481621 RYMGRKQOQFOWPX-FJIDUMEYSA-N 439.578 1.996 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNc2nccc(C(F)(F)F)n2)c1 1565817292 KNNLRKQAKQYBPJ-UHFFFAOYSA-N 431.371 1.774 30 10 IDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(C(=O)CC#N)CC2)C1=O 1566317528 BJIRSEMAHXKEBV-HSZRJFAPSA-N 433.468 1.191 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)Cc2ccccc2Br)CC1 1588199695 VYAVSRYQSLMFMK-HNNXBMFYSA-N 442.379 1.630 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1588233111 AZYIOMLRJAVKOV-IBGZPJMESA-N 428.514 1.688 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1589599590 IRIYOJNLIOMORI-HXUWFJFHSA-N 442.582 1.272 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1593729468 LAKHPMLWBUHBKE-GOSISDBHSA-N 429.521 1.888 30 10 IDEE C=C(C)COCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1593769782 RJIJPFINGRCWBT-VLCRHTCISA-N 436.553 1.907 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1594732489 DZQYVZSWQDKDGY-ZIAGYGMSSA-N 449.499 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2)CC1 1595789613 XZPRTAMKULFJEW-GOSISDBHSA-N 444.561 1.157 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1615838057 JBSLXBZGZPSZPT-SJLPKXTDSA-N 444.971 1.748 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1617443943 OYTLAGIKGKRERS-OERWEXPNSA-N 442.545 1.212 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)c1 1619128417 AGJXVOGNMLKULD-UHFFFAOYSA-N 440.504 1.561 30 10 IDEE N#C[C@]12CN(C[C@]3(O)CCCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1620635190 FPTHAWUPQYAJPD-CEWLAPEOSA-N 433.530 1.020 30 10 IDEE C=CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)[C@H]1CCS(=O)(=O)C1 1627334679 KAANRDAIJIONDY-STQMWFEESA-N 425.498 1.920 30 10 IDEE C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cc2c(cc1Br)OCCO2 1630605820 HQSCIRZJPHPYQY-SECBINFHSA-N 435.234 1.232 30 10 IDEE C=CCn1cc(CNC(=O)NCCOc2ccc(I)cc2)nn1 1634639574 KOMZBJQHQGJFEP-UHFFFAOYSA-N 427.246 1.947 30 10 IDEE CN(C)C(=O)COC1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1635102672 PMUWCKIOUWKXBF-FQEVSTJZSA-N 442.516 1.708 30 10 IDEE CN1CC[C@H](N2CCC(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C1=O 1636124238 BNCPEDBGRAVNHJ-IBGZPJMESA-N 432.546 1.189 30 10 IDEE Cn1cc(I)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1638202771 DOOOLTYVVVROFH-MWLCHTKSSA-N 445.261 1.514 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)C2)c1 1641580801 ZZEFLYTVUMMMAA-UHFFFAOYSA-N 446.554 1.506 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C(F)(F)F)nn(CC)c2C(F)F)CC1 1644285613 SKALKHXEFQTFAZ-UHFFFAOYSA-N 443.398 1.085 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1644428323 DUJDYCFKBJAUHI-UHFFFAOYSA-N 426.485 1.742 30 10 IDEE C#CCNC(=O)CN1CCN([C@@H](C(=O)OCC)c2nc(Br)sc2C)CC1 1645867121 IHUUPOGTPCNLCQ-OAHLLOKOSA-N 443.367 1.185 30 10 IDEE C=CCc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc(OC)c1OC 1646221693 HDESWTHZWHBSMU-ZGOJQLDESA-N 436.530 1.373 30 10 IDEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)[C@H](C)COC 1647738577 ZBRFXCYKUVSVJP-KURKYZTESA-N 439.578 1.946 30 10 IDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1664303111 FILCBEXKRSNNSP-MRXNPFEDSA-N 427.534 1.797 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)cc21 1674679517 MXCCXVGJROLYKU-SFHVURJKSA-N 433.534 1.881 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1682509308 PFTYYGFIIBYNQE-UHFFFAOYSA-N 428.470 1.792 30 10 IDEE C#CCN(C(=O)NC1CCC2(CC1)NC(=O)NC2=O)C1CCN(C(=O)OC(C)(C)C)CC1 1686413133 CANACIQZJYIXBQ-UHFFFAOYSA-N 447.536 1.552 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 1687340138 HIZLONUNQGFZQG-FQEVSTJZSA-N 441.557 1.557 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCN(C)CCOC)CC1 1690120189 KMPRERKMQLFIHC-UHFFFAOYSA-N 448.575 1.464 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690380323 KGWUXJLQDWTEOJ-FMQUCBEESA-N 425.493 1.083 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CC(F)C1 1690670679 HASTZYYQXQSRSO-UHFFFAOYSA-N 442.543 1.939 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC2CCOCC2)CC1 1690726872 OOCQMZSRHOMOPH-UHFFFAOYSA-N 437.610 1.380 30 10 IDEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1693843492 HVRMCKPZPJPHQD-LAUBAEHRSA-N 433.532 1.343 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)C1 1696212365 FVFATDZMMMLBKD-GOSISDBHSA-N 432.550 1.761 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1698489457 QWIHYNPIPOQSCH-FQEVSTJZSA-N 429.502 1.045 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1705564837 CZDFTHIZTCKEJX-QZTJIDSGSA-N 427.530 1.620 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1705581168 UCYIQJNGTXCLMZ-QGZVFWFLSA-N 436.482 1.966 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1705609880 UPWWTYOWYDVYCB-UHFFFAOYSA-N 439.501 1.384 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1705632152 JBSICQKHZZMJQZ-OYRHEFFESA-N 441.624 1.637 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C)C2CCCC2)CC1 1705648265 UUPJIBZEBFWERS-UHFFFAOYSA-N 436.564 1.575 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1705834718 QKIGTAKZNVUYGC-HNNXBMFYSA-N 428.603 1.400 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1705867266 KTCBDVZFFLQYLQ-MOPGFXCFSA-N 443.596 1.247 30 10 IDEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1709767245 HUKGZMMBIHZOKQ-ROUUACIJSA-N 436.582 1.031 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711055167 OOESRDYSYPEYRI-HNENSFHCSA-N 429.525 1.108 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712603845 BCQYRWNSVIJNHQ-HLAWJBBLSA-N 441.532 1.846 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCNS(C)(=O)=O)C[C@@H]21 1712672308 MBJHBFDDDXQGRN-CEXWTWQISA-N 444.561 1.617 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)(C)C 1722342992 BBVJHQNBXQXLOL-UHFFFAOYSA-N 445.593 1.921 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722371691 KUQPNTMJOMJEKH-LJQANCHMSA-N 447.605 1.696 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)[C@@H](C)CC)CC1 1722440130 CYDAMTKYQVMULM-SFHVURJKSA-N 443.621 1.755 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CC=CCC2)CC1 1722448489 VPRXBEDXQHQSNM-HXUWFJFHSA-N 426.565 1.400 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1)C1CC1 1722651507 VWRPIVNYPDTLLL-KRWDZBQOSA-N 435.554 1.053 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1 1722700538 LRYWAFYYRZSNIE-UHFFFAOYSA-N 440.523 1.759 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CCCOCC(F)(F)F)CC2)nnc1C(C)(C)C 1722703975 MWFATXOAOKZMMI-UHFFFAOYSA-N 446.518 1.969 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCNC(=O)[C@H]1CC 1722706683 XQAYLXMWHIDOTN-QGZVFWFLSA-N 426.521 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722730253 MRAZAXXGEARCME-KRWDZBQOSA-N 431.562 1.331 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1723067078 TTZZKZJLLWOMSO-UHFFFAOYSA-N 439.520 1.768 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cnc2c(Cl)cnn2c1 1723590868 MTRDDKQNGLQBMV-IBGZPJMESA-N 445.890 1.797 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1723680221 ZTDCUTYDGCTPRQ-FCHUYYIVSA-N 442.495 1.908 30 10 IDEE CC(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1723693526 CDSTWMJFSNUJME-UHFFFAOYSA-N 432.550 1.760 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)CC)C1 1729180681 SUNLBDVJOWGDDT-IBGZPJMESA-N 426.521 1.927 30 10 IDEE COCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1730510468 AVIQZBXQXADFDR-NRFANRHFSA-N 443.483 1.811 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1730526800 CSGFIZFAUGBMIL-UHFFFAOYSA-N 445.545 1.661 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1730900757 KJOPIFDLPCYQTB-WOJBJXKFSA-N 427.505 1.864 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1740588694 CXLUFAAITIVUGL-UHFFFAOYSA-N 449.559 1.857 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740656009 HDUYHZLTROCDJQ-MRCUWXFGSA-N 434.525 1.920 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(COC)c2)CC1 1740692864 QAFFACCFKRDDRG-DEOSSOPVSA-N 439.560 1.880 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1740720988 TWSKJDPHZIVGPZ-UHFFFAOYSA-N 447.634 1.258 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740730320 WDRJALMPOYKSMJ-YZZKKUAISA-N 441.580 1.164 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740755994 DUFNROCPYROVAY-QQTQMKHKSA-N 427.505 1.682 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCOCC2)CC1 1740832799 IMGIEZBLKRMRLJ-SJORKVTESA-N 440.614 1.259 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1740843129 YPRNAMQYCKPGOH-LJQANCHMSA-N 438.532 1.795 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740884906 QFKAKMDKIWZCRH-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCSC1 1747998106 FKCJUHXKFKTFSI-INIZCTEOSA-N 435.575 1.963 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1748672302 RSRFPQRBUMVHKT-MAUKXSAKSA-N 434.518 1.310 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OCC)c1ccccc1 1748790622 JVXLXZOTIVYDSE-RBUKOAKNSA-N 447.561 1.458 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1748809148 JRDMQKQTAGDEOZ-UYAOXDASSA-N 427.574 1.914 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1748811362 FLTNOKSCNGXDDF-HNNXBMFYSA-N 430.559 1.989 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCCOC)CC1 1748986687 GUVUKUGVOHRRNF-UHFFFAOYSA-N 449.559 1.857 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOCCOC 1749060522 SPZGUMGLVVHSPG-JOCHJYFZSA-N 436.520 1.966 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749104264 OHNDGQPFOZDGSF-WOPDTQHZSA-N 447.311 1.203 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749112166 CVCHCOKZILQDGV-MRXNPFEDSA-N 427.391 1.939 30 10 IDEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749225165 BIXBAJUBIPRGCU-UHFFFAOYSA-N 444.580 1.799 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1749457628 NQYCBKQLUUZWCK-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1749755566 JORQBDQAWTXALA-HNNXBMFYSA-N 427.596 1.158 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(F)(F)CC1 1750417347 DHYZGAZDGCUYJO-HFUDNHEJSA-N 436.463 1.934 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1751090250 ZOUDJXBVOMLWOK-DLBZAZTESA-N 425.541 1.655 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760095783 YSJBOOMDIZXSKP-HZPDHXFCSA-N 425.541 1.375 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1760433772 VTJHRMLAHVNCBT-MRXNPFEDSA-N 444.565 1.448 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]1c1nncn1C 1760526344 LNIBZJDWHQEDSP-SFHVURJKSA-N 436.520 1.938 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1760554529 GMNBTNWOWWCPGJ-QGZVFWFLSA-N 431.562 1.445 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](N3CCCC3)C2)n1Cc1ccc(C#N)o1 1761493761 IWRJMACNSJRANE-CVEARBPZSA-N 447.565 1.466 30 10 IDEE CCOC1CC(O)(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@@]2(OCC)CCOC2)C1 1767699235 AGMJBRBQGIVAQK-JGURWLQPSA-N 433.553 1.990 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCN1CCOCC1 1767964575 DJSFANDXCFTSON-OAQYLSRUSA-N 440.548 1.986 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1770327121 RIORXCCOGRSGPI-UHFFFAOYSA-N 435.575 1.600 30 10 IDEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCNS(C)(=O)=O 1770500953 FPYBSJZBGVMWOO-UHFFFAOYSA-N 434.522 1.155 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCOC3)n1CCOCCCO)C2 1771532108 PNVIYOBZRMCKSL-HNNXBMFYSA-N 428.493 1.106 30 10 IDEE C=CCN1C[C@H](C(=O)NCCOc2ccc3nnc(-c4ccc(OC)cc4)n3n2)CC1=O 1850255289 ZOPBJKVDCABSOB-MRXNPFEDSA-N 436.472 1.329 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCN(S(=O)(=O)c3cccc(F)c3)CC1)OCO2 1851859661 PUCJEUOFWXOHDZ-UHFFFAOYSA-N 431.445 1.502 30 10 IDEE Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855723672 OVSSLSJUDFNAML-MRXNPFEDSA-N 427.482 1.694 30 10 IDEE COc1ccc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)cn1 1856347939 TXPYXZCGLODFRY-MRXNPFEDSA-N 425.514 1.582 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1F 1857412208 GKTQWHNDOLYPMR-KRWDZBQOSA-N 436.509 1.071 30 10 IDEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc1 1862745565 LTEMOEJBLOQLHB-QGZVFWFLSA-N 426.381 1.952 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(F)cc1F 1865729839 UBIHLKLZFOBPQA-OAHLLOKOSA-N 444.438 1.257 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(Br)c3)CC2)CC1 1890995054 POJWERNZXIKGBG-UHFFFAOYSA-N 435.366 1.716 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)CC1 1891049415 FRHYRYXXOGAZFD-UHFFFAOYSA-N 430.505 1.232 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1904844907 NGSICWLBXVBXAH-ARFHVFGLSA-N 427.546 1.298 30 10 IDEE CC(C)(C#CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O)NC(=O)OC(C)(C)C 1993925007 ZVEOMXASGCKIPY-CABCVRRESA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1 2017408499 PAEAAKGSSFOVKA-ZDUSSCGKSA-N 426.377 1.756 30 10 IDEE CN1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)C(F)(F)F)C1 2106599707 JFMHQVPPECFPDO-MRXNPFEDSA-N 441.303 1.780 30 10 IDEE CN(OCC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2243675705 ZUDYXQVKEGVWMW-UHFFFAOYSA-N 427.332 1.857 30 10 IDEE CC1(C)OB(c2csnc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255532386 LTYMOWJQUAAJQH-JOCHJYFZSA-N 443.378 1.809 30 10 IDEE Cn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255622976 HULPPYNQGNNJAK-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE Cc1c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2256402447 PRCRQPBHJKRJDM-KHPPLWFESA-N 434.346 1.838 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2257483136 BJRMNQKOOSCKSZ-INIZCTEOSA-N 438.305 1.627 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C 2267459712 FLKQIFSWKZIZID-DZKIICNBSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2267550209 WNCVTKLDOXGLLK-GASCZTMLSA-N 444.341 1.715 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267594267 QKWINAVBPIHKDV-CVEARBPZSA-N 447.341 1.481 30 10 IDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 20806483 JGPRNGREFWDTSO-DJKKODMXSA-N 428.434 1.783 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 57830458 HPEMLFPVERONBK-UHFFFAOYSA-N 430.730 1.928 30 10 IDEE COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)nn1 463902342 MXXNYSOQSJXXPD-UHFFFAOYSA-N 432.444 1.675 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C 467830655 CUZNQLDDFDPIPC-TWOQFEAHSA-N 440.525 1.531 30 10 IDEE C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 495052717 YJFXTIUFXBSOOJ-ZACQAIPSSA-N 427.549 1.942 30 10 IDEE Cc1cc(N2C[C@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC2=O)ccc1Br 503626606 HOBSNVQDTJTXQQ-CQSZACIVSA-N 433.306 1.695 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C#N 505699009 FRXCFINCUWZWOV-AWEZNQCLSA-N 431.521 1.931 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508995559 BWONVATYZWVUTF-MRXNPFEDSA-N 444.561 1.531 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 515367223 DUEJSKKFSOONGF-UHFFFAOYSA-N 445.570 1.691 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 537153915 HSHNVDBDTGKOEU-OAHLLOKOSA-N 436.563 1.559 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)nc(C(C)C)n1 546214091 ZCBBJMKAHFBQHH-UHFFFAOYSA-N 448.575 1.646 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 549188954 CJZZASXTEAUDNJ-UHFFFAOYSA-N 439.559 1.404 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 549678541 GEYPJZYVCWLKTL-AABGKKOBSA-N 446.596 1.759 30 10 IDEE OS(O)(NCCN1CCNCC1)[C-]1C#CC(Br)=C=C1OC(F)(F)F 642812504 AOYVDLPAXOZNQJ-UHFFFAOYSA-N 431.254 1.994 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)c1 676851775 CSCWVXWLHWXVDF-KRWDZBQOSA-N 428.470 1.664 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 732157083 VEZOJTNMFOTKRY-UMIVRTMYSA-N 428.464 1.249 30 10 IDEE C#CCN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 744397217 DREUHFULMCZALA-UFYCRDLUSA-N 436.574 1.606 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(F)F)CC2)cc1 747293206 BSFDXDJEMWTTLW-XLNRJJMWSA-N 429.493 1.914 30 10 IDEE Cc1c(C(=O)NC2CCN(c3ccccc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 747903919 PAGWJOLSRMPCJY-UHFFFAOYSA-N 432.484 1.211 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 757579846 HAULWKZMDGHZJV-DOTOQJQBSA-N 436.534 1.539 30 10 IDEE N#CCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 762918133 QVNBBZRCVYLKLH-UHFFFAOYSA-N 427.482 1.620 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@H]1CCS(=O)(=O)C1 774214602 XMARZOZYYPOUPI-GJZGRUSLSA-N 440.363 1.860 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1 777137384 IQLVEZRAIYRBAS-UHFFFAOYSA-N 426.517 1.491 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C)cc1 800763158 KXKIBRLIURVVOV-QGZVFWFLSA-N 429.550 1.121 30 10 IDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(C)(C)S(C)(=O)=O 802605025 XHAKZEWVFXHFBN-UHFFFAOYSA-N 430.538 1.756 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 812182233 FVDQRFWBKVYMLD-QGZVFWFLSA-N 433.534 1.904 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C)c2)c1=O 838648637 MBJIMCJFHGWFQG-UHFFFAOYSA-N 433.537 1.503 30 10 IDEE O=C1CC[C@H](c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)CN1CC1CCC1 856567730 YBSPWDZLIKQFCF-AWEZNQCLSA-N 429.502 1.814 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)cc1 1125136756 XJAJJMKPNCHOBA-USMQXWLVSA-N 430.490 1.365 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)CCS2(=O)=O 1134859600 URRFRGMNKPRVIQ-LKYPVIHCSA-N 448.541 1.977 30 10 IDEE CC[C@H](Sc1nc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cs1)C(N)=O 1136041278 VRLLCUJZTYLUGB-HNNXBMFYSA-N 430.559 1.657 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1149438874 VIHCJFZKGAYLQW-INIZCTEOSA-N 442.541 1.934 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@@H]2CNS(C)(=O)=O)n(-c2ccccc2)c1C 1175078564 CAFXMWAGUAFDGR-SFHVURJKSA-N 445.545 1.154 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C12CCC2 1253060985 AVGJAYWMSKQLBX-QMTMVMCOSA-N 438.550 1.498 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1COCCO1 1286275131 MZAAVZYUKFMEJU-WBVHZDCISA-N 446.577 1.810 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1286359905 MUWPFJZLIPCCAP-JOCHJYFZSA-N 432.569 1.927 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CN(CC(C)C)CCO1 1286369394 OHNAAMAORAELAE-SFHVURJKSA-N 449.559 1.618 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1286394155 VBEGTGFMKPGBET-IBGZPJMESA-N 445.593 1.399 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1286403208 KMSBGOZBOLJMID-UHFFFAOYSA-N 435.484 1.071 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286416296 PUQJUROLQNUYPU-IBGZPJMESA-N 441.557 1.520 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1286430974 LNBOMPSDAFRINY-HXUWFJFHSA-N 431.606 1.765 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1286452665 SFLLOWJKHNRCGE-ROUUACIJSA-N 444.605 1.795 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCN2CC)CC1 1286469897 OBESHXQDIMLKQO-IBGZPJMESA-N 436.564 1.555 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1CC 1286508681 KLHBGGKKBBHDSG-BBWFWOEESA-N 441.623 1.602 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286679908 DFMHLTMCRHQITH-UHFFFAOYSA-N 426.587 1.633 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286783770 LBJHIGCWKHCUHR-CHWSQXEVSA-N 440.957 1.554 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](COC)C1 1286786085 NGNZAONTCBGYFL-HNNXBMFYSA-N 437.504 1.759 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1286786322 QYDRSWRZVMRMKU-FZKQIMNGSA-N 444.458 1.061 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C)C1 1286787362 TXKOLKAPARXRCB-OAHLLOKOSA-N 431.566 1.777 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 1286787929 MJZHJHBDVFWMDS-IBGZPJMESA-N 432.569 1.371 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCn1cc([C@H]2CCOC2)cn1 1288089414 SWVGAUDJOAMXHC-KRWDZBQOSA-N 440.552 1.947 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)Cc2ccon2)C1 1288982148 QTVAXMBMAMXRSW-VQIMIIECSA-N 449.537 1.367 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1290552977 DAJWXROXBORFGQ-GOSISDBHSA-N 439.545 1.839 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N1CCOCC1 1291525013 YQCPPIKYWHNCSZ-AWEZNQCLSA-N 425.493 1.185 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(C(C)C)C2)CCOC1 1296662044 BAZPYRYLJQYHBL-WOIUINJBSA-N 432.569 1.779 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCCn1cc(CO)nn1 1298283824 PSYRLEVNYFFEJK-LJQANCHMSA-N 436.520 1.854 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1298969400 JPSFPRLSIAUKCS-NPMXOYFQSA-N 435.532 1.646 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCn2ccnn2)c1 1300334420 LSYLIYZNYHCLKF-IBGZPJMESA-N 448.531 1.910 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300488506 RVBQNNUKJSDCEQ-MSOLQXFVSA-N 447.561 1.343 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300490891 CQBILKANKFOVEQ-NUJGCVRESA-N 432.550 1.120 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1300499584 VIRUIJFUVYHDNT-RXVVDRJESA-N 429.546 1.460 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1 1300672015 SRLFQTNGISVYIT-GOSISDBHSA-N 432.546 1.654 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1300686228 YKDSBAZCYUNAEX-OFNKIYASSA-N 430.597 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@](C)(O)CCOC)CC1 1300719292 VMDIHDDKUDIFCQ-HSZRJFAPSA-N 425.533 1.698 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](COC)OC)CC1 1300726764 PXEGRKCRYHNVCC-LJQANCHMSA-N 443.523 1.635 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CC[C@H]1C 1300812424 VCWRMEMCJQLWNY-APWZRJJASA-N 447.561 1.739 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301019363 ICKCGZUWDSEUBG-IBGZPJMESA-N 435.937 1.818 30 10 IDEE COCC1=CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301195965 MZGUJYZMKZHLON-QURGRASLSA-N 449.515 1.573 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1cccs1 1301298187 ZTTYMTIMGCATRU-KDOFPFPSSA-N 441.579 1.202 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1301402347 FSXKAMBLSCVVBC-GOSISDBHSA-N 432.550 1.541 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1 1301588535 GQAOYYCNLNQOHC-KRWDZBQOSA-N 439.582 1.125 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCn2cc(C)nc21 1301809772 SZHXJXUQBSDCMU-SFHVURJKSA-N 440.552 1.850 30 10 IDEE Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1304601798 BDTQRRJQMISJDR-UHFFFAOYSA-N 435.492 1.156 30 10 IDEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)N2CCO[C@](C)(C#N)C2)CC1 1312733442 KEEFRIJICLAGMH-IIBYNOLFSA-N 434.562 1.940 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ncccc2Cl)CCOC1 1314137174 ACWWEVVQDKULQW-FOIQADDNSA-N 448.911 1.786 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1314388313 ITXLNVJTMJJCCD-QFIPXVFZSA-N 441.511 1.630 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1315842105 YBSYOKAPOTZVQD-GDBMZVCRSA-N 438.529 1.918 30 10 IDEE Cc1cc(C(=O)NC2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c(C)o1 1321741880 CCMNGVSBRSYARL-ZZEZOPTASA-N 429.477 1.327 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)ccc1OC 1353364424 MHLHBMUYAVPBNP-MRXNPFEDSA-N 432.521 1.802 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCO2)c1 1358901973 BTBIOHFTSVAINR-RBUKOAKNSA-N 436.516 1.855 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC(=O)NCCC)c1 1358903292 QZTPYLUSNLPELO-UHFFFAOYSA-N 445.527 1.846 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358961174 SMWCBTQEVUTJME-ROUUACIJSA-N 432.594 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2ccccc2)CC1 1359047344 CKCKHUTVMFQMGV-HSZRJFAPSA-N 425.533 1.688 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O 1359296730 SFZOVBSBFSBCFB-UHFFFAOYSA-N 442.545 1.666 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1359323246 KQPNDPMHCCMICC-DOTOQJQBSA-N 437.591 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359336606 WBHGQWLLDPXHKU-DLBZAZTESA-N 439.582 1.473 30 10 IDEE CC(C)NC(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1359470860 HDXRSUHMPCMZSA-HNNXBMFYSA-N 446.581 1.749 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1Cn1cccn1 1360247819 HDXSWVFTHHCBIN-LJQANCHMSA-N 434.504 1.438 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1443017294 MTYCMHWPKUYOJA-DHZHZOJOSA-N 431.489 1.665 30 10 IDEE C=CCCC[C@@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1444647853 XXZRVGOTVDHSQB-NHCUHLMSSA-N 447.601 1.574 30 10 IDEE C#CC[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1451178803 KBTVFTPEXYXZFX-IRXDYDNUSA-N 432.473 1.694 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1460229431 FJHXIFDPAVOZSE-ZWKOTPCHSA-N 433.530 1.494 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 1463329441 DCXSPUJSQMNJLY-AWEZNQCLSA-N 436.538 1.055 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc3nc(O)n(CC(C)(C)C)c23)CC1 1464842555 DFQRXLZCDHETSG-UHFFFAOYSA-N 425.533 1.685 30 10 IDEE C[C@@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1470624281 SDWQFOWBPCWWKT-HNNXBMFYSA-N 427.505 1.649 30 10 IDEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)c(C)c1C 1471628792 DWMVMLXFTASTHG-UHFFFAOYSA-N 434.606 1.810 30 10 IDEE Cc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1492582466 IVCZCKQRLGAUKX-FQEVSTJZSA-N 435.525 1.681 30 10 IDEE CN(C)CCOc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)c1 1503398518 ACFZXMXKSPXHFF-JOCHJYFZSA-N 447.543 1.981 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1505321451 AVDUOCHTBNIJSG-XHSDSOJGSA-N 444.458 1.164 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1507605155 QTSWRTMSZQQEED-NRFANRHFSA-N 447.561 1.298 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COC 1507820866 ONTNQUMJLKQJMN-MRXNPFEDSA-N 429.587 1.686 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1508111792 JALXUWFWPGNAHZ-IAGOWNOFSA-N 432.550 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC[C@H]1C 1508131981 SUOYWTLSFDLROT-QGZVFWFLSA-N 447.561 1.973 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCOCC2)CCOC1 1509807499 QOKZLSDIFUSMBO-JOCHJYFZSA-N 433.553 1.990 30 10 IDEE CSCC[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1520313000 DPQOHHBINNRPJN-PFANNTFUSA-N 434.566 1.886 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC[C@H]2CCCO2)c1 1521082829 OLXVINYETLPWLB-LJQANCHMSA-N 429.546 1.971 30 10 IDEE C=CCN(C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)[C@@H](C)COC 1528490329 WISHMYVAXLOJFL-HNNXBMFYSA-N 449.529 1.624 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3nc(N(C)C)ncc3Br)CC2)c1C#N 1529120698 YKOXXBGKQXLXKH-UHFFFAOYSA-N 433.314 1.181 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC[S@@](=O)CC(F)(F)F)C2=O)cc1 1532250410 CXGJIPWNEOAQAX-CAMPQQCRSA-N 430.408 1.190 30 10 IDEE COc1ccc(CC(=O)Nc2cnc(OC)c(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1538310628 BMTUVSJILRTOBZ-UHFFFAOYSA-N 446.485 1.173 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539210284 BBUPPUXKSMAULS-GOSISDBHSA-N 442.545 1.840 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1539232064 ZBCRRPUDALHKMD-SFHVURJKSA-N 432.546 1.693 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1539296902 VSODGPBPRTWWPF-PMACEKPBSA-N 448.637 1.719 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1539296998 XFDBXQIQULOVDF-KRWDZBQOSA-N 428.562 1.724 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539337733 SFCYNZHOHYPPFR-QFIPXVFZSA-N 442.541 1.178 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539512914 HFFUMCHTGXRXTA-OALUTQOASA-N 445.637 1.200 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1539556289 AOFZHHXPODNBIU-YLJYHZDGSA-N 431.518 1.332 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 1539650790 VOADJCWSIIOFIR-AWEZNQCLSA-N 433.600 1.116 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 1539967847 VBXRHULEIDGHQF-ROUUACIJSA-N 441.598 1.973 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1540006733 WAKPYMMXTOPRKB-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540035958 IPOQKRJHFXWURH-INIZCTEOSA-N 432.525 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540904291 LJDQRBCWWIPJCN-RTBURBONSA-N 447.561 1.249 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](OC)C(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1540908448 GZLCBXDPQWLSBP-JXFKEZNVSA-N 442.582 1.392 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541814033 FVZFKFFOMAAJOE-SXZOAGKDSA-N 429.525 1.237 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1542482745 BRXVYNIBGCOFBT-HNNXBMFYSA-N 438.410 1.573 30 10 IDEE C[C@@H]1C[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1543713930 ZMZPPOJGNWPQAX-WCXIOVBPSA-N 432.525 1.971 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1546725881 IPPHGFOHNIUNCR-QAPCUYQASA-N 432.550 1.760 30 10 IDEE CN(CC1CCCC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1554221365 CXZYLRPAMCJNAD-MRCUWXFGSA-N 441.536 1.553 30 10 IDEE COC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1554539120 SOECXYFAEXQFMD-VHEBQXMUSA-N 444.536 1.783 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H]1C 1554557373 WXJWSEQTSUGLAE-YJBOKZPZSA-N 426.477 1.509 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1555615743 UFSAZIUDWQKVTP-HTAPYJJXSA-N 428.537 1.577 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCC#C[C@H]1CCCCO1 1558751349 SHDJMHUBNZBQJI-OAHLLOKOSA-N 429.336 1.806 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)CC1 1559906947 BZQUDPHSCLHFBB-SFTDATJTSA-N 448.608 1.548 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](NS(C)(=O)=O)C(C)C)nc1C 1565624823 HFSKSUUAHCHNGW-SNVBAGLBSA-N 430.581 1.697 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnnn1C 1587621412 UCQJBEJZYUURMS-OAHLLOKOSA-N 431.504 1.871 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1587639794 NEOHOYUHMQBRBD-SJLPKXTDSA-N 441.557 1.813 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1588293286 VAVCFXLEUKTNEW-UHFFFAOYSA-N 425.489 1.458 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588954500 HZEOZPAUMGCDJM-UHFFFAOYSA-N 442.608 1.432 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)C(C)C)CC1 1588969219 XWTLTOFHBKVHMU-ZCNNSNEGSA-N 447.580 1.639 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589528542 HCYCULACJOEJFZ-OVWQWFNUSA-N 432.525 1.487 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589567670 FYWCRAWWGTWYLX-HBFSDRIKSA-N 448.593 1.744 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595871312 NDGRNKWJERPNMQ-UHFFFAOYSA-N 443.577 1.730 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1595976188 BSNQKBZPRORGRE-INIZCTEOSA-N 445.474 1.503 30 10 IDEE CC(=O)N1CCN(CCn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1596297611 SJXOCCOROMCQNC-AVRDEDQJSA-N 447.584 1.221 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCONC(=O)OC(C)(C)C)ccc1F 1598141773 GMIUMGFMCFSHHH-UHFFFAOYSA-N 431.486 1.866 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1609929607 ODOXGLFCNNNQOM-UHFFFAOYSA-N 435.488 1.687 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CCO[C@H]1C1CC1 1611676651 AJBIKNYIOXQZFM-VHFSOBRXSA-N 436.582 1.833 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1612469878 HIWVZDRZNVAWEO-JOCHJYFZSA-N 437.552 1.920 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 1615098500 RXQANLQKIQHMMY-INIZCTEOSA-N 441.918 1.403 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)C[C@H]1O 1618884220 UKGUQAOIADGHSY-YGWPLHOASA-N 439.516 1.850 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1620053113 GQSRZEJBGBQLPY-JOCHJYFZSA-N 427.505 1.600 30 10 IDEE COCCO[C@@H]1COCC[C@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1625457750 ZCVGIKIZBNVWTH-LJPAYWBRSA-N 437.537 1.710 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)C)c1 1636462039 GYVVBQHPXLIKLI-FQEVSTJZSA-N 444.509 1.596 30 10 IDEE Cn1cncc1[C@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1642428010 VJQYGNAUEOAJNC-PKOBYXMFSA-N 425.489 1.976 30 10 IDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC12CN(C(=O)OC(C)(C)C)C2 1644662245 SCZMIVOTBZLDEC-VWKPWSFCSA-N 436.553 1.771 30 10 IDEE Cc1ccc(C(=O)NCc2cc(=O)n(-c3ccccc3)n2C)cc1S(=O)(=O)NCC#N 1645067575 BODRIWDOIUGXCD-UHFFFAOYSA-N 439.497 1.216 30 10 IDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@@H]2C1 1648049682 XVTABDAUWQFAMQ-LFGUQSLTSA-N 445.541 1.663 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)C1=O 1653344029 HKQAXCSKSQTNEJ-UHFFFAOYSA-N 439.390 1.105 30 10 IDEE N#Cc1cccc([C@@H](O)CN2CCN(c3ncc(I)cn3)CC2)c1 1654442757 LHXBOWIDCVJMGP-INIZCTEOSA-N 435.269 1.808 30 10 IDEE C#CCn1cc(CNS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)cn1 1655956363 LXDISSWPAXHABM-IBGZPJMESA-N 430.530 1.985 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1687366524 UMZZILQRBZYCGM-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1689966001 IILLEVOJIWURKN-PKOBYXMFSA-N 431.562 1.561 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1689986599 SYRTYHYGOOPRHZ-QGZVFWFLSA-N 440.529 1.814 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1689991218 YNZAIQNGEQJQCE-MSOLQXFVSA-N 449.577 1.205 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)cc1 1690030308 RFDFHDHFNHUPGO-SFTDATJTSA-N 435.528 1.813 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CCC)CC1 1690132145 IWPYMYHJRMWPGE-NRFANRHFSA-N 430.578 1.576 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690228885 HSZFUQUMMDBLKH-HZPDHXFCSA-N 426.359 1.849 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(S(C)(=O)=O)cc1 1690620326 XZTJQWKUAUYHHM-UHFFFAOYSA-N 430.534 1.769 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)C1 1690699539 GKHAGFFPIXDDNO-OALUTQOASA-N 432.546 1.502 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1690819520 DONUNKFPEXRZKS-UHFFFAOYSA-N 428.562 1.991 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1697061333 AAYSRRMUWUNNMM-KRWDZBQOSA-N 441.488 1.270 30 10 IDEE COCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697936516 LRTQZIKQQWEABI-XMSQKQJNSA-N 441.536 1.510 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccncc2)nnc1N1CCC(F)(F)C1 1698520078 DBQANYRTAYTILM-ISLYRVAYSA-N 429.431 1.636 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1705475747 UZSMCTYHNXGXJQ-GOSISDBHSA-N 438.580 1.657 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705559617 DHDMCOKVEHILEI-JKSUJKDBSA-N 439.582 1.943 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCO[C@H]2CCOC2)CC1 1705642895 KVGDPFQOGVXNJL-IBGZPJMESA-N 443.523 1.947 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1705648422 WDWWEMZOZKGGLU-UHFFFAOYSA-N 447.605 1.726 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1705725839 UUUGKQUBSZIYDZ-MRXNPFEDSA-N 440.957 1.872 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1705731613 YRYWLHIYCYRYCZ-UHFFFAOYSA-N 448.549 1.532 30 10 IDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)CC1 1706935943 CZRHTMBMIULNAV-UHFFFAOYSA-N 425.493 1.554 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1709185721 CBXDTUFIMFBJOV-ZOKDDAQRSA-N 426.546 1.833 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(C)=O 1710857525 DHDNEZXLFMDFLM-HNNXBMFYSA-N 432.550 1.602 30 10 IDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1712376403 TTYHFVWTAANOOD-KRWDZBQOSA-N 432.550 1.571 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1722380413 LXBSWGWTBDJUDK-UHFFFAOYSA-N 431.518 1.294 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1n[nH]c(C)n1 1722414984 KOCLKXFKWVHUEU-UHFFFAOYSA-N 447.591 1.772 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnn(CCOC)c2)CC1 1722436116 XKOWKWFTRONDQQ-UHFFFAOYSA-N 435.532 1.600 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(OC)CCOC2)CC1 1722441534 KVMYBLAECIEZGN-HSZRJFAPSA-N 425.533 1.726 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722549912 BOMJJQPIYDGFIM-KRWDZBQOSA-N 432.960 1.779 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 1722617698 LQODMVSGTLPVEX-QGZVFWFLSA-N 438.554 1.818 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722627033 IRRIMWIXWBYBRN-SFHVURJKSA-N 445.568 1.548 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1723022771 CTNUIWXFMHXMQU-OIKJDNLISA-N 431.559 1.169 30 10 IDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCO)CCOCC(F)(F)F 1723036932 DWCVJAAJAKKELG-UHFFFAOYSA-N 427.427 1.965 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1723202122 BYOCVPPDPVJBJW-LQWHRVPQSA-N 429.546 1.695 30 10 IDEE CN(C)C(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729311507 OEHNGOADQVPULB-INIZCTEOSA-N 443.502 1.802 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)N2CCOCC2)c1 1730007405 FFTCAGFFCIWNOY-OAHLLOKOSA-N 428.493 1.559 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1740619918 MWXWPVMRUCHCQS-SFHVURJKSA-N 432.546 1.743 30 10 IDEE C#CCN(c1nnc(-c2ccc3ccccc3n2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740620492 PRFDYHYJCYZIHP-QGZVFWFLSA-N 439.541 1.891 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1740622719 HTMYKCIRODZHIU-GOSISDBHSA-N 432.550 1.064 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1740627868 TTXAYGRCVCHHKN-QZTJIDSGSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN(C(C)=O)C1 1740644449 GRRJAOVZOJUEKU-IBGZPJMESA-N 426.565 1.918 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2C)CC1 1740690766 NFVJECUJFMDALT-SFHVURJKSA-N 430.578 1.309 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 1740695618 YUBUBVUVKLAPHI-JOCHJYFZSA-N 439.951 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2CCN(C(C)=O)CC2)CC1 1740707926 VMWGSERAVGOKNV-UHFFFAOYSA-N 430.553 1.039 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740720932 RSRHKPYOGOQHGS-KRWDZBQOSA-N 439.545 1.103 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1740819056 BSLQUJXYALDNSQ-PGRDOPGGSA-N 433.553 1.582 30 10 IDEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1740880618 ZHZVTHXNPZWBHY-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1740993804 JHGJIGBPJHQXQB-UXHICEINSA-N 437.566 1.661 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCc2cnn(C)n2)CCOC1 1741722262 BXUBLGIHFSZVLB-OAQYLSRUSA-N 428.541 1.820 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1742363217 BIIFIXBXXKJAEZ-IEBWSBKVSA-N 445.545 1.719 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1747991663 BXZCDTUAYLQODE-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE Cn1cc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1748010034 NFSONGOLSXSKRO-OOESYIKTSA-N 446.462 1.687 30 10 IDEE C#CCCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1748731159 VYGRQLCYEGLAII-SFTDATJTSA-N 436.578 1.749 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(F)cc1 1748789726 AWTIBLOMKCUNCI-YJBOKZPZSA-N 435.525 1.623 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748805916 YJHXQEMLJAKCPV-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748811406 GMKMVIKWMCIMDF-KRWDZBQOSA-N 431.562 1.606 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1748830293 TZMBOIJPLGQAEV-URXFXBBRSA-N 442.608 1.418 30 10 IDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749386943 PALMDCQVWAGEOJ-INIZCTEOSA-N 447.565 1.752 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1749721675 QSGXFWYLFFXSIP-HOTGVXAUSA-N 448.549 1.530 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749756573 ZODCTPJFNKFQSY-JKSUJKDBSA-N 439.607 1.301 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760160433 DDOSNQIMZPPJOD-VZCXRCSSSA-N 447.499 1.743 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)c1ccccc1 1760165366 PNFNBCOFLLIGKW-OAQYLSRUSA-N 432.546 1.862 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760359252 KHVWTANAIHRTDK-UHFFFAOYSA-N 448.593 1.717 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760449523 MNBBAZAAFVNSFC-QGZVFWFLSA-N 433.557 1.406 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760512704 BLTMUJOVBRDVBS-INIZCTEOSA-N 428.512 1.971 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760556923 UJWIBFNITURLDO-AEFFLSMTSA-N 435.550 1.105 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(C2OCCO2)c1 1761463710 LLXHLNYMPWJBLN-CABCVRRESA-N 448.549 1.720 30 10 IDEE CCOCc1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767849802 VDZBGCPTRJBYCJ-VXPUYCOJSA-N 431.541 1.308 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 1853338468 PCUNAQCUDCPJNJ-GOSISDBHSA-N 437.475 1.811 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1=O 1854291006 NYJAOUGTIRYMLP-MRXNPFEDSA-N 425.880 1.348 30 10 IDEE C=C(C)CN1CCN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)C(=O)C1(C)C 1856064684 VQVPOZCVGYBEJC-OAHLLOKOSA-N 434.562 1.371 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)C1(C)C 1856115767 NKPWKHZDPQEDCC-MRXNPFEDSA-N 438.550 1.470 30 10 IDEE COc1ccnc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)c1 1856360542 JTXNNCAKVFLTKH-OAHLLOKOSA-N 425.514 1.582 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)c1 1858338672 IBGAWJCHCVJSFZ-KRWDZBQOSA-N 433.511 1.502 30 10 IDEE CCCCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN(CCO)CCO 1870568749 RVJDJXFUEKCPET-UHFFFAOYSA-N 439.597 1.900 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(C(=O)OC)cc1 1874431504 UJDVHDBIPSKGJM-SSDVNMTOSA-N 446.533 1.544 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1 1891534517 GSKJGUBTNZWZKI-UHFFFAOYSA-N 445.455 1.319 30 10 IDEE C#CCN(CC(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1)C(=O)OC(C)(C)C 1984784244 ICPONDVBOCYRSQ-HXUWFJFHSA-N 425.482 1.437 30 10 IDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)C1 1985958259 SUNIFTLWMKAEAV-UHFFFAOYSA-N 425.526 1.946 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073754156 JUNNHGMXUMCKFN-ZMOMAAQPSA-N 437.346 1.840 30 10 IDEE C[C@@H](c1cc(C#CCN)cs1)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130024678 LBOLMTQBSKZILU-AWEZNQCLSA-N 431.539 1.677 30 10 IDEE Cc1cnc(O[C@]2(C(N)=O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232299264 GUMVJZQHAOQLNE-JOCHJYFZSA-N 447.341 1.933 30 10 IDEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247880726 KMCWHELWVDUOMK-UHFFFAOYSA-N 438.355 1.883 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247881041 QDXMLDSSNXFRGC-HUUCEWRRSA-N 438.355 1.930 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628662 LAIQMHOFBLZIGM-GHMZBOCLSA-N 430.236 1.381 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3COCCN3Cc3ccccc3)[nH]n2)OC1(C)C 2255825856 GTMUEFZHTVBUKN-QGZVFWFLSA-N 426.326 1.340 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC1(O)CNC1 2255832915 UETDGIGVFASJOO-UHFFFAOYSA-N 443.378 1.727 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2255841162 XMNLCTOTAKCTCM-WBVHZDCISA-N 425.342 1.507 30 10 IDEE Cn1nc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1B1OC(C)(C)C(C)(C)O1 2267130622 QEWGVGBWJGPXFW-SFHVURJKSA-N 440.353 1.350 30 10 IDEE Cc1nn(C)c(C(=O)N(C)CC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267147193 SNVDWSLFRMKOQG-UHFFFAOYSA-N 448.373 1.967 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 2267270585 MDRTVQGTZJNPHY-RDJZCZTQSA-N 449.357 1.424 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2267520208 MBSVRECFWQWVES-UHTWSYAYSA-N 442.247 1.381 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268650216 HVGNZUNBLDEBKG-INIZCTEOSA-N 446.357 1.870 30 10 IDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F 2320553978 CVINSJVYEJTCID-UONOGXRCSA-N 438.309 1.738 30 10 IDEE Cc1cc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320562274 MBHQCJXXGXWDJK-QGZVFWFLSA-N 434.342 1.796 30 10 IDEE C#C[C@H](C)N1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364181045 VVGZPIQQPCYYKM-SFHVURJKSA-N 431.558 1.812 30 10 IDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(C(=O)OC)CC3)C2=O)cc1 96573475 JDSWULXXCOQPNI-QHCPKHFHSA-N 443.500 1.820 30 10 IDEE COc1ccccc1[C@H]1/C(=C(/O)c2c(C)n[nH]c2C)C(=O)C(=O)N1CCN1CCOCC1 102758043 QDQNHQGJYTWSKU-LCPUNJGISA-N 440.500 1.789 30 10 IDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)C1 238842713 HXYOYCQBPMVBNS-HNNXBMFYSA-N 442.426 1.938 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)cc1C#N 427234692 OQNWJRVURZGMED-UHFFFAOYSA-N 435.893 1.534 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N(CC=C)CC=C)cc2)CC1 437841319 JNBLBSNPIKCWTP-UHFFFAOYSA-N 425.533 1.953 30 10 IDEE COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)ccc1C#N 460604701 VYFWJKXVSJSAHO-KRWDZBQOSA-N 432.502 1.889 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1C[C@H]1CCCO1 461089595 QRRCAZRFTSXXEU-IEBWSBKVSA-N 445.531 1.820 30 10 IDEE Cc1occc1C(=O)NC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481510268 TXUINGVIRQZFBL-CQSZACIVSA-N 444.513 1.548 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 514334205 XFOHTYCDWHUMQP-GOSISDBHSA-N 441.528 1.790 30 10 IDEE COC(=O)c1ccc(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)n1 523498999 QJBRWRQJOGMOMW-CQSZACIVSA-N 439.472 1.400 30 10 IDEE Cc1cc(=NC(=O)CSCC(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)[nH]o1 542075321 RRYZMYHASJKQQV-UHFFFAOYSA-N 430.877 1.848 30 10 IDEE Cn1cc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3C[C@@H]3CCCO3)CC2)cn1 555387015 UBWPGDRESMGLDI-NRFANRHFSA-N 448.531 1.968 30 10 IDEE C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1n1ccnc1 558055754 FUKJLEYHUOFDPC-LSTHTHJFSA-N 434.500 1.082 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 558640199 OPUFBYCEVLEMRK-JOCHJYFZSA-N 443.507 1.941 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 566832505 SMUFVWYGHSBGFC-UHFFFAOYSA-N 425.468 1.356 30 10 IDEE Cc1nsc(N2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)c1C#N 573767113 NRGWGHGJKUYDLO-UHFFFAOYSA-N 431.543 1.300 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 584867341 UMEXHJLOMWKCAK-IBGZPJMESA-N 440.548 1.262 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 603799589 SWDMNZGOKSWMGQ-CYBMUJFWSA-N 431.464 1.172 30 10 IDEE CSc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 603799711 SANXDRHAAFOLES-INIZCTEOSA-N 443.594 1.838 30 10 IDEE Cc1nc([C@H]2COCCN2CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)no1 611533480 GFWRTAMMPZNPOF-RBUKOAKNSA-N 428.468 1.300 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669806763 UQSUJTPFZOYIPY-OXQOHEQNSA-N 426.569 1.315 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670206955 TZAXZJWCGLEMDE-LAUBAEHRSA-N 440.596 1.705 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668228 CHWATARKYXWZGP-UHFFFAOYSA-N 427.489 1.328 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 731974649 BYMIQUXFTVVTAI-ADRFGFKZSA-N 441.513 1.906 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(Oc2ccncc2)C1 732760644 GLBMCDJVQBVRIT-SFHVURJKSA-N 428.514 1.825 30 10 IDEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc12 744007993 SBLBVFIMASBGJV-GFCCVEGCSA-N 445.526 1.579 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 746748442 WFZIPPKHECRHND-UGKGYDQZSA-N 426.473 1.060 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1 755547685 AXYLLPJIPIBGFY-MAUKXSAKSA-N 443.504 1.337 30 10 IDEE CCOC(=O)c1csc(C2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)n1 758702464 PMUISRBTZCPCTH-WUKNDPDISA-N 447.517 1.735 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)CCN1C1CC1 765187022 YQWQXTSTBFQPKU-JTQLQIEISA-N 426.296 1.392 30 10 IDEE COc1cccc([C@@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)c1 766626889 MKXIVXDXMDJQIF-SFHVURJKSA-N 429.498 1.724 30 10 IDEE CCc1c(C)nn(-c2cccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2)c1C 766652884 ZFEDQRWXJMHOGP-IBGZPJMESA-N 428.514 1.631 30 10 IDEE C#CCN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 769681311 AKKGNVLPZNZOOY-FXAWDEMLSA-N 429.542 1.500 30 10 IDEE COC(=O)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(O)c1 775796591 PLUXDQCNZIOFMH-KZULUSFZSA-N 431.470 1.240 30 10 IDEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 792746380 LRRZWRVQQSDRTR-CRAIPNDOSA-N 430.530 1.827 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 805591681 XWTOFOJGWJLCDF-RTBURBONSA-N 446.523 1.540 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 805785898 KUJWQACCNCIGHQ-SJLPKXTDSA-N 442.541 1.856 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)CC1 808759060 LDEYHOAQXIRRBY-IAGOWNOFSA-N 443.539 1.865 30 10 IDEE C#CCN1CCC[C@@H]1COC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808983133 AOHTWCIFWPQMGF-GOSISDBHSA-N 449.573 1.276 30 10 IDEE Cc1ccc(NC(=O)[C@H](C)OC(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 815414041 OIVZVOFWLZRPFY-HNNXBMFYSA-N 435.502 1.580 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(Br)ccc1I 820186095 UZNHPQVOYZNALJ-SECBINFHSA-N 425.020 1.774 30 10 IDEE CN1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@H](c2cnn(C)c2)C1 849498354 SPTQVQSRCQVZEN-CTNGQTDRSA-N 446.559 1.844 30 10 IDEE COCCOc1cc2c(cc1C=NNc1ccc(S(=O)(=O)NC3CC3)cn1)OCO2 920750739 LGLKBHMSXMDPGC-UHFFFAOYSA-N 434.474 1.722 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)cc1 1083905473 YZGPIYYFEROPQD-UHFFFAOYSA-N 447.502 1.335 30 10 IDEE C#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)cc1 1129225144 OPBODILUTUMLSU-UHFFFAOYSA-N 441.553 1.933 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)s1 1136924269 UNRXKHFQOHWEPJ-UHFFFAOYSA-N 442.584 1.817 30 10 IDEE C=CC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OCC 1138146584 SNLAVYLKRQFBIG-NSHDSACASA-N 439.715 1.988 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)cc(OC)c1OC 1142684908 CUQVBDOWZZBYHL-CVEARBPZSA-N 448.520 1.944 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1147823614 UBXROOBMMCCEPM-QHCPKHFHSA-N 430.524 1.646 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)C1CCN(c3ccc(C#N)cc3F)CC1)C2 1158987691 XYNSAUAGRAFHKH-LJQANCHMSA-N 439.495 1.313 30 10 IDEE C=CC[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)C(=O)OCC 1189089788 XAPBSELHNZBWMR-OKZBNKHCSA-N 440.518 1.450 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 1252863170 SZSYMOWKGNWKNE-SFHVURJKSA-N 425.489 1.488 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1286400352 DBZBARJTVQNLQY-GTYOFVGBSA-N 440.569 1.930 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286402040 WXOMHLNJZKGLIH-HSZRJFAPSA-N 438.484 1.811 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1286404412 QHLIXBZTAKZMGP-HSZRJFAPSA-N 439.516 1.110 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCS(=O)(=O)C2)C1 1286813718 AIFMEGCIANLEBQ-OWSLCNJRSA-N 440.566 1.218 30 10 IDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286833929 URPSMDNPNGDALG-QGZVFWFLSA-N 441.561 1.387 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)C1 1286858630 CHOCTVGBHNBLFG-MOPGFXCFSA-N 426.525 1.127 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)C[C@@H](C)O1 1290836931 IAASDBHCTJGNQC-GGPKGHCWSA-N 434.562 1.257 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)C1 1300020424 IDKOJDKGPIYDPL-YLJYHZDGSA-N 437.475 1.408 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@H](O)C1 1300654982 MRTCLIQREYMCKB-PXNSSMCTSA-N 436.520 1.558 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1300732651 CAQKTMIDIWAQTH-AWEZNQCLSA-N 437.566 1.957 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1301066186 OZTUBKWXXKFKOS-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1301612371 YCDMZSNDTCVTSD-ILXRZTDVSA-N 433.575 1.324 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(F)(F)[C@H](C(=O)OCC)C2)s1 1301784678 CJSJITVMFVHGMC-ZDUSSCGKSA-N 436.502 1.802 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1302969845 HWYWJSLYNNASDE-KURKYZTESA-N 436.582 1.410 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1303045683 FYPGLYBSQFNRIQ-QGZVFWFLSA-N 438.546 1.692 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCCO1 1303876957 RCZQFJKYWAPJDN-OWYHZJEWSA-N 444.561 1.811 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)NC3CN(c4ccncn4)C3)c(C#N)c2N)cc1 1313186395 XQSPSQVIKWPOOL-UHFFFAOYSA-N 431.504 1.545 30 10 IDEE Cn1cccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1314917824 OFROIDDCICGCTK-UHFFFAOYSA-N 429.506 1.268 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1316284496 FQWXUYBCTVCOLZ-KSJSBICDSA-N 444.536 1.763 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCCCCO)CC2)nc1 1316533959 KAGKVUKOQBYVQW-LJQANCHMSA-N 425.537 1.928 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CC2)C1 1358913092 FRNJGBPUZVBJGL-QGZVFWFLSA-N 437.566 1.031 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCCC2)nc1 1358937938 LPSMDIDDEMOQTA-INIZCTEOSA-N 431.566 1.391 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1358955758 SSCBMAONECPUIC-QYZOEREBSA-N 447.605 1.967 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358961788 FGUHYVGTWJCOEW-MJGOQNOKSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1358995601 XWYOXHOZSRTKQR-OAQYLSRUSA-N 448.495 1.160 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc(-n3cncn3)c2)n1 1359027561 NOQPULVRXCCPFD-UHFFFAOYSA-N 431.504 1.698 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(N(C)C)CCSC2)CC1 1359030078 NUEYOIBIGWGPEJ-NQIIRXRSSA-N 436.626 1.195 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359153768 QVOIQCZPOGYEMM-UHFFFAOYSA-N 449.968 1.314 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359183765 TVYSPOPYDUKPED-OAHLLOKOSA-N 427.509 1.479 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1359261999 DCFQQSKNODPZOS-ZDUSSCGKSA-N 436.567 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2oncc2C1 1359294138 LKHJRKXUQWAKRD-UHFFFAOYSA-N 442.501 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1359334317 ANIGXLOWGFDPAW-GASCZTMLSA-N 445.536 1.729 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359480763 BSXMPEJGUHZXKO-FAPUVCABSA-N 447.561 1.614 30 10 IDEE CC(C)(C)N1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359549726 ZMKCBBHTHLKZGJ-IGGDJGDASA-N 443.552 1.229 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1453768098 CQJCLWFEOZBYGO-SCLBCKFNSA-N 434.543 1.449 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(OCc3cccc(C)c3)c2)CC1 1455115794 RLFJNWMVZNVNTJ-UHFFFAOYSA-N 441.553 1.728 30 10 IDEE C=CC[C@]1(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 1461156602 AWZQSVNYWCEWEA-WOJBJXKFSA-N 428.551 1.748 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 1475369983 MXBSVDOBKOJADC-MRXNPFEDSA-N 439.534 1.517 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1503283566 GIPCWRAWHLVANU-OAHLLOKOSA-N 430.538 1.194 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCCC1 1504993487 GKNLFKVEHFXHOU-AZUAARDMSA-N 431.585 1.665 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNS(C)(=O)=O 1507546369 JGLHPRMBHPZBKF-CABCVRRESA-N 440.570 1.357 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1507573759 JQJQCCYXIDJJRN-HNNXBMFYSA-N 440.570 1.359 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1507589342 WDHOTJIGJJIUIY-OALUTQOASA-N 437.610 1.531 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCc2ccccc21 1507616353 JKSWCLIWGXRRIX-QUCCMNQESA-N 443.573 1.801 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C)C1CC1 1507994750 XXBFCZLTHITHEQ-KRWDZBQOSA-N 444.561 1.683 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1508089304 JGKIULBMJNGEDK-UHFFFAOYSA-N 428.459 1.743 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2)C1 1508141201 TXNFLMZKKAPNGE-LJQANCHMSA-N 440.529 1.914 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C)C1 1508145758 PCUIJCVUIUPRKP-AWEZNQCLSA-N 426.489 1.973 30 10 IDEE Cc1c(CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1510463224 YUGAJWKFPKQNMP-ZCXUNETKSA-N 426.525 1.780 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1517076096 WVWOLXYOFKRVTN-UHFFFAOYSA-N 444.561 1.227 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1OCCC1(C)C 1517328894 BPAKXQWIVOKYOO-KRWDZBQOSA-N 432.550 1.617 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1534678248 MUNMPBIJZWZUFV-FQEVSTJZSA-N 433.516 1.563 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)C[C@H]1CS(=O)(=O)C2 1538539372 GGVAINYOQFFSED-GUSZCTEKSA-N 440.319 1.318 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCS(C)(=O)=O 1539155499 VKWVDFYGPCVDFR-UHFFFAOYSA-N 444.355 1.177 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(C)=O)CC1 1539237681 IPLWZJHELHQXLN-HSZRJFAPSA-N 427.549 1.650 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1539317739 HIMLZXVEVNOYBX-LJQANCHMSA-N 434.500 1.218 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1539326712 YLVMHHCDNQTEPJ-QGZVFWFLSA-N 447.586 1.492 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)CN2CCOCC2)CC1 1539441463 PNJMUQCQRQZLEY-IBGZPJMESA-N 426.540 1.808 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1539445917 KJLLBMVZPPDAPL-IRXDYDNUSA-N 445.568 1.288 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1539446326 WPQWUBDDIAPOCL-SFHVURJKSA-N 440.552 1.651 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1539531309 VYZMFDUADLBQLL-APWZRJJASA-N 442.607 1.310 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCS(=O)(=O)C1 1540154505 YWLYOPAAUCORLM-LJQANCHMSA-N 433.490 1.581 30 10 IDEE CCC(C#N)(CC)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1540615583 DFTUCJPOYRPXJT-UHFFFAOYSA-N 435.550 1.081 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(c2ccccc2CO)CC1 1540869026 ZQHYUYQCTKCTFZ-UHFFFAOYSA-N 433.516 1.914 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)COC)CC2)cc1 1540877775 FMXVFSNGHHVUQO-IBGZPJMESA-N 441.532 1.690 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1541649191 ZSARQQOBHOCXRU-HNNXBMFYSA-N 428.493 1.704 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)s1 1542356723 VCUXLWIGQMJIOZ-BRWVUGGUSA-N 441.619 1.855 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cc(C)cc(F)c3)c3c2CCC3)CC1 1542895030 XINBHASVJPILNR-UHFFFAOYSA-N 437.519 1.706 30 10 IDEE N#CCOc1cc(F)ccc1NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1545727154 GSILDGAUTYWZJZ-UHFFFAOYSA-N 435.433 1.806 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C[C@@H]1N1CCOCC1 1546731390 AECVHORWARTKNR-ICSRJNTNSA-N 437.548 1.500 30 10 IDEE CC(=O)NCC(=O)N1C[C@H](CO)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548402911 ZRUCFQLUTHJVEU-MRXNPFEDSA-N 438.450 1.750 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554505273 KRDNFIJTGPZZJS-SJORKVTESA-N 438.517 1.028 30 10 IDEE COCCOCCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555722147 BGXUXEVZUKOPDH-MRXNPFEDSA-N 426.525 1.585 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)C1 1555985554 QVNFSQGRRHWALL-AVRDEDQJSA-N 426.496 1.973 30 10 IDEE N#Cc1cccc(C2(NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CCOCC2)c1 1557540563 YARCMYZJZCAORV-NRFANRHFSA-N 440.544 1.393 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1565005232 OECIJQFLNDCVNU-LJQANCHMSA-N 433.578 1.493 30 10 IDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585132202 MIDBTYDDDNNQNW-XCRNZQRYSA-N 429.542 1.383 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(F)c(I)c3)C[C@H]1CS(=O)(=O)C2 1585660068 CXEWWDSAUVGPPP-IINYFYTJSA-N 434.230 1.441 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1587561307 CLVUNKLEJDRSLZ-HOTGVXAUSA-N 427.534 1.580 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588034427 FTZWQMCUOOEZQA-IAGOWNOFSA-N 439.582 1.763 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1588059268 LAPFEUBYBJJTFP-ROUUACIJSA-N 444.605 1.953 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1588075115 YAYGMJSAUUCUOJ-INIZCTEOSA-N 448.593 1.348 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCCc2ccccc2)CC1 1588806326 MVMYQBCIKCZBFV-UHFFFAOYSA-N 443.555 1.763 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC=CO2)CC1 1588885812 ZKPJQUWPYIQFIY-IBGZPJMESA-N 442.564 1.855 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1589089048 NCWDSFWYEZQADW-SFHVURJKSA-N 425.562 1.671 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOc3cc(F)c(Br)cc32)C1=O 1595510603 YGCHNZVQJGOGCL-UHFFFAOYSA-N 426.198 1.290 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](CC)C1 1595545054 QIOXHJDSXXMRLO-SFHVURJKSA-N 440.552 1.370 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1596752502 VWJIDOOIWVKFOA-JOCHJYFZSA-N 437.504 1.114 30 10 IDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)C2=O 1611648602 BHUDHJUGIGJAAD-RCDICMHDSA-N 442.472 1.391 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1611816472 KMRASBPDJKHTPC-NRFANRHFSA-N 443.483 1.564 30 10 IDEE N#C[C@@]12CN(C(=O)C3CCN(C(=O)OCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1617486290 CIDLEDYERXOTNY-RXVVDRJESA-N 431.514 1.432 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2CCC[C@@H]21 1620178424 GBWITDWEOFFUHS-WMZOPIPTSA-N 430.534 1.657 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2csc([C@@H](C)NC(=O)OC(C)(C)C)n2)CC1 1626966388 BDUXSRXVCMPFOR-CQSZACIVSA-N 435.550 1.236 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(Br)cc2Cl)CC1 1628146400 ICNNYPBKQJBINX-UHFFFAOYSA-N 426.742 1.929 30 10 IDEE CC(C)(C)n1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 1629484989 HNVLSZMEEVKVDA-UHFFFAOYSA-N 428.514 1.622 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@@H](C)SC[C@H]3C(=O)NCCC(=O)OC)cc2C1=O 1638590146 CDEKQVILGGRPRU-WBMJQRKESA-N 445.497 1.052 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1643027782 FJJIVDOAZKPNSS-ZWKOTPCHSA-N 436.530 1.584 30 10 IDEE CCn1cc(C(=O)NCC#CCN(C)C)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1643409433 IFFRXOUJEFRLIX-UHFFFAOYSA-N 443.979 1.721 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](n2nncc2I)C1 1650912968 CECJIKGHDFCQQW-OLZOCXBDSA-N 431.278 1.517 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)O2)[C@@H]1C 1652141199 WEVXRJJGCNCDCN-DXEZIKHYSA-N 435.546 1.594 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 1653549972 OKEGXHKWMCBFPM-MAUKXSAKSA-N 430.505 1.930 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Br)ccc(OC)c1F 1653703341 FQLGOOILNDDGGJ-SNVBAGLBSA-N 440.312 1.408 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)C1 1666053813 ZZHSDVJABQJMBP-GFCCVEGCSA-N 433.299 1.751 30 10 IDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1666460636 IVAURIBFTKNEHB-MRXNPFEDSA-N 427.523 1.555 30 10 IDEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)nn1 1672847450 LVXZKMUCTUQOQY-UHFFFAOYSA-N 434.522 1.369 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](COC)c2cccc(C(F)(F)F)c2)CC1 1684324880 WBRICFDYMZWFGO-MRXNPFEDSA-N 448.467 1.188 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)CC2)c1 1689868920 VGEUDVJJDPTWNK-HNNXBMFYSA-N 444.561 1.745 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCC(C)(C)O)c1 1689873406 HHWKYZZWBOANHP-UHFFFAOYSA-N 438.532 1.618 30 10 IDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1689980091 LLRXSOLXSABGKZ-WBVHZDCISA-N 448.520 1.709 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1689988216 LDDQMXABMOEVLM-QGZVFWFLSA-N 449.602 1.391 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1689991122 WFGLVMAGOOLRJW-CRAIPNDOSA-N 433.509 1.381 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1n[nH]c(C)n1 1690063877 RZHOYNUMQNHVCL-UHFFFAOYSA-N 442.549 1.324 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1NC(=O)CC1(C)C 1690098694 RGLNPTVSTYWZSQ-LJQANCHMSA-N 439.516 1.717 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1690464663 IDNOFIDDARIGCN-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCOC 1690516585 NETLPBRXUGEDBF-HXUWFJFHSA-N 436.582 1.956 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1690565186 CJTWRWFOBXZNPM-RTBURBONSA-N 432.546 1.788 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1690603563 DTIKPTTWUMHPLL-VQTJNVASSA-N 446.573 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690662019 OPFBZRZGAIQOMQ-GDBMZVCRSA-N 433.896 1.261 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690673745 CHWNEOFKIVOPAU-QFIPXVFZSA-N 443.552 1.128 30 10 IDEE CC(=O)NCCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1690983877 CRFFEQOYWRHVRX-OAHLLOKOSA-N 425.541 1.479 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1OCC[C@H]1C 1692534689 HTYNIDWECZIQID-SJLPKXTDSA-N 438.536 1.435 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C(C)C)N1CCCC1 1698254224 IVBXRSVWXBPYBL-YRPNKDGESA-N 432.569 1.851 30 10 IDEE CON(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1698263494 COCNXIJDRDMFMY-SQFISAMPSA-N 436.270 1.560 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705568670 SOEUAWMUJRVWTP-GCJKJVERSA-N 446.573 1.687 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705569231 FFFSBOZXZDVWPL-MOPGFXCFSA-N 436.578 1.443 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705571523 AFFFLKXBCVSEOJ-RBUKOAKNSA-N 435.594 1.488 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1705628298 CHIZUHFILDOLSD-SFHVURJKSA-N 425.489 1.873 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[C@H](O)C2)n1 1705631559 IRDVSBZMSXXHCF-ZVDOUQERSA-N 442.564 1.816 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1705642494 VXTMSHSYEJZQTN-DEOSSOPVSA-N 436.560 1.707 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705906456 GCGPJCXKWYIXMY-LJQANCHMSA-N 440.548 1.772 30 10 IDEE CC/C=C\Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709380611 KIOVEPMIJLZXHY-CHYADLBTSA-N 435.536 1.857 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)C1CCC2(CC1)OCCO2 1711028528 VNBZLYOLVLFNFE-UHFFFAOYSA-N 445.545 1.983 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722317834 KDBAFJOBMYHBGF-LJQANCHMSA-N 428.581 1.894 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722366153 QASDQLZMHWZGJP-APWZRJJASA-N 434.537 1.917 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2cccc(O)c2)n1 1722428582 YMYINRZSPVJTQI-UHFFFAOYSA-N 444.499 1.972 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722476562 AFTZPNNGWVESIG-CHWSQXEVSA-N 425.331 1.572 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722477228 DAXODEOCNMHTIZ-DYEKYZERSA-N 448.387 1.801 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1722538183 VALPYUKBBHCWTK-LJQANCHMSA-N 447.561 1.724 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1722640023 BLYGYDPFGZCHPX-HNNXBMFYSA-N 442.586 1.564 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722725731 RFYGXPZLIMTQSV-GASCZTMLSA-N 430.534 1.618 30 10 IDEE CC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722856982 VCSTUOIJPKPJGQ-HXUWFJFHSA-N 425.512 1.711 30 10 IDEE Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726403674 RLTRNCGOWLBHOY-FMQUCBEESA-N 443.458 1.718 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CCCCCO 1726645416 OWGPUZWNMZDUEE-DLBZAZTESA-N 426.525 1.321 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNS(C)(=O)=O 1727005501 FIDXOBLHNLBWFT-QGZVFWFLSA-N 445.593 1.929 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1729231197 HEOKXQCFYHTYCU-WRONEBCDSA-N 447.586 1.600 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1729298505 IXZQTZNEKPGKAO-VQTJNVASSA-N 443.596 1.855 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1730777671 HOYQSLYUJRAQPD-WMZOPIPTSA-N 442.495 1.232 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1730918933 KNXZIEYYKZZXSK-IBGZPJMESA-N 439.520 1.426 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1740618538 IUXDIEMBOXPMGL-OAHLLOKOSA-N 429.506 1.133 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1740621493 MGSHUQDGDGXTGA-INIZCTEOSA-N 444.561 1.129 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC(C)(C)C1 1740641559 CGIAMDFAQCXSMH-UHFFFAOYSA-N 431.544 1.700 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740723128 NMEWUXCWWUBJDM-RDGPPVDQSA-N 436.578 1.753 30 10 IDEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1)c1ccccc1 1740853826 APQRVLPMUOEWET-OALUTQOASA-N 443.573 1.866 30 10 IDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 1740886306 CJIVEAUBQBEWJE-UHFFFAOYSA-N 439.520 1.998 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740951322 UXDZMQRFQKDGRS-IBGZPJMESA-N 439.564 1.429 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748805020 MYUKWTLRTNKWPC-HOTGVXAUSA-N 442.607 1.243 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)NC 1748916907 ITIARLXSCOKMKK-UHFFFAOYSA-N 444.330 1.855 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1748956603 UXLJIUZFGQINER-QFIPXVFZSA-N 444.605 1.578 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](C)(O)c2ccsc2)CC1 1748978901 SPPGZJUVCRPVMU-DYESRHJHSA-N 433.578 1.727 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)CC1 1748980084 YQGJBVIRDWRMIW-UHFFFAOYSA-N 431.544 1.975 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749411554 AKTRBDSQEOMMDF-IAGOWNOFSA-N 426.587 1.156 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](COC)C1 1749454171 CZJJJSKTQQYWCC-HOTGVXAUSA-N 433.509 1.839 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCOCC2)C1 1749698738 XLLKWEMCUHJNHO-CVDCTZTESA-N 449.596 1.822 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749725791 ZYRNEAHKXUTLSG-CYBMUJFWSA-N 430.552 1.317 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(COC)CC1 1749732167 RECBKZCSVGVUKQ-HNNXBMFYSA-N 425.555 1.083 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)(F)F 1749948238 IHRRJUJZBONZAH-ZDUSSCGKSA-N 432.447 1.811 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOCC1 1750418664 LMJNFNJMYFNODG-VLGSPTGOSA-N 429.868 1.357 30 10 IDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)COCCO1 1751304889 ZFRJYHJVYGPAJV-NRFANRHFSA-N 445.545 1.636 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCCS(C)(=O)=O 1752280278 DIIXZWVWWBXANS-OAHLLOKOSA-N 444.565 1.357 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760204193 HLGCMIJAJITTRV-DEOSSOPVSA-N 440.551 1.952 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCc2ccccc2C1 1760248854 RSUQJBUSQMEANH-OAQYLSRUSA-N 436.560 1.764 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccc(OC)cc2)CC1 1760257708 FWESQWYTOWTTOR-SFHVURJKSA-N 435.532 1.910 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCNC(=O)C2CCC2)CC1 1760270285 NYPXYVRDKNFBTR-UHFFFAOYSA-N 428.581 1.749 30 10 IDEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1760473261 OQXDTHLOQABBLT-UHFFFAOYSA-N 437.595 1.212 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CC)C1 1760553804 IQLMQZKOCQRHMQ-CQSZACIVSA-N 437.522 1.222 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760566052 KCSXENGXFPKGDO-CABCVRRESA-N 448.636 1.113 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CC=CCC1 1761466588 MNBJQIXRMLMJTG-KRWDZBQOSA-N 443.577 1.658 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCCOC 1763758410 ABISFKUYTSJYRG-SJORKVTESA-N 428.541 1.831 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(c2ccccc2C#N)CC1 1766870436 BRMHAFJYPVMNRI-UHFFFAOYSA-N 432.532 1.960 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)ON1C(=O)c2ccccc2C1=O 1772787507 KOHZXSOFFAKUDV-GFCCVEGCSA-N 438.458 1.165 30 10 IDEE C#CC(CC)(CC)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC 1851778647 RNOYYRRWOVZTFS-UHFFFAOYSA-N 436.578 1.728 30 10 IDEE C=CCN1C[C@H](C(=O)Nc2c(-c3ccccc3)cnn2[C@H]2CCS(=O)(=O)C2)CC1=O 1851995538 PVJIWLMQZASQOM-SJORKVTESA-N 428.514 1.883 30 10 IDEE COc1ccc(C(=O)N2CCC(C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2)cc1 1852881824 JQDLGVZZHBEDOZ-UHFFFAOYSA-N 427.482 1.813 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854591315 VYHZKVISESEUSU-FQEVSTJZSA-N 431.558 1.889 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c(O)c1 1862741247 NVLOZZFENNDSHR-SFHVURJKSA-N 441.396 1.720 30 10 IDEE COc1ccc(C(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)cc1N1CCN(C)CC1 1867224579 UUNPXHVPOJOUCZ-IBGZPJMESA-N 437.500 1.048 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 1889423304 QYJMFPQJTIGLJR-QHCPKHFHSA-N 427.545 1.475 30 10 IDEE Cn1cc(I)c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1902299700 UOULDUUSMBBROY-NSHDSACASA-N 431.278 1.970 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)N1CC(C#N)C1 1982313071 HDIJIMSMUABBTM-UHFFFAOYSA-N 447.558 1.038 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1985785397 UUBJECBAOHWDAG-CABCVRRESA-N 428.530 1.965 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243702513 PFSZHZUEBZRYCN-LLVKDONJSA-N 427.332 1.657 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255606209 RFEKGQFIIURAAR-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE Cc1cnc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255612810 WCLHKYWGQKSNLZ-UHFFFAOYSA-N 433.314 1.970 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2255613435 CDOOJYFOGWUJDI-QGZVFWFLSA-N 426.326 1.340 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]2C1 2255633184 XJKLLTFGRYSVGT-YEJXKQKISA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256628878 NURDLAKARCQEGS-HUUCEWRRSA-N 433.314 1.690 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2267001672 ODDAHJJGFBLDRV-ZDUSSCGKSA-N 441.259 1.912 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1 2267108183 FSEQILZAUUWBIU-BFHYXJOUSA-N 447.345 1.100 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2267177099 JGONOCRHOLCFKK-CQSZACIVSA-N 445.329 1.304 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267265370 FDBJBCLEPDLZJG-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267510184 HAQASDZCFKOJAW-JKSUJKDBSA-N 446.357 1.943 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267518950 GYLSZYHKKOWAGX-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267538330 UDXISNBQUTUUKT-LSDHHAIUSA-N 448.329 1.140 30 10 IDEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267548397 RKVTWANVZILIKD-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267872213 HUQXYHKQLNNSKW-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2272637756 YSHDMJASHPKWHC-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2317677511 WKHBIQAOTRPVSY-HNNXBMFYSA-N 437.346 1.594 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322303973 RZWFJQHKFMZHCQ-KBPBESRZSA-N 437.321 1.984 30 10 IDEE COc1ccccc1C=NNc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Br 2322659683 QLBZVZZSOBEMAQ-LBPRGKRZSA-N 441.307 1.820 30 10 IDEE C[C@@H](C#N)N1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364299150 ZCKWLDITGZUTRJ-KRWDZBQOSA-N 432.546 1.702 30 10 IDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2367814720 BWRGNDMAEVEYGQ-KNQAVFIVSA-N 434.558 1.709 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16519761 LDHXFPBOJFSRFK-MRXNPFEDSA-N 449.533 1.632 30 10 IDEE COC(=O)c1cccc(N2CC(=O)C(c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)=C2N)c1 170178834 BXBCZLJSKFHCLF-UHFFFAOYSA-N 446.511 1.818 30 10 IDEE COc1ccnc(N2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 435151269 HKMZMUPTXDOCPS-UHFFFAOYSA-N 427.408 1.887 30 10 IDEE C[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)sc2C1 435319540 MASUDSSGDPUPMO-SUMWQHHRSA-N 437.525 1.995 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3cn(C)nc3C(F)(F)F)CC2)o1 441674604 ZLMAVFOISDZTRC-UHFFFAOYSA-N 425.415 1.388 30 10 IDEE COCc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 485843347 AXBUBTDGLXQGES-UHFFFAOYSA-N 435.527 1.400 30 10 IDEE CS(=O)(=O)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486482674 BFPGFQYXQYDXDY-FQEVSTJZSA-N 440.525 1.703 30 10 IDEE Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 515183956 WNAGRBVTHACXQE-UHFFFAOYSA-N 446.454 1.899 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CCNC(=O)c3ccccc3F)CC2)c1 533606134 CHTBGHOGOUKPJU-UHFFFAOYSA-N 444.532 1.519 30 10 IDEE CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 539632741 TVVQOIGIGYUEGB-JKSUJKDBSA-N 430.534 1.757 30 10 IDEE C=CC[C@@H](CO)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 540420397 OXBYGEOBEJDTJL-CZUORRHYSA-N 431.352 1.903 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 549706368 QXKISVWDIQMHTH-JKSUJKDBSA-N 427.571 1.438 30 10 IDEE CN1CCC[C@H]1[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 590400573 WHDSWKOIBXGZPC-SFTDATJTSA-N 446.573 1.281 30 10 IDEE N#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 609234300 RWHHQIRRMTUUKY-UHFFFAOYSA-N 439.490 1.197 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3n(c2C#N)CCS3)C1 609814360 CJMLTSZPAZMVGD-GFCCVEGCSA-N 436.519 1.505 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610984582 FAWBBZHBSIRTNN-FPAYPSAMSA-N 441.488 1.057 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668874 SSKIPGDSUCFDSY-UHFFFAOYSA-N 443.532 1.966 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCN(C)CC1 729669395 OITIYJXYALEYSY-INIZCTEOSA-N 449.580 1.942 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671414 IXNZQAKWEICFIH-RDJZCZTQSA-N 436.537 1.855 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC(F)(F)F)C1=O 730143989 GMUSSEZYXXTZTC-SKSQCXPCSA-N 431.484 1.554 30 10 IDEE CN(Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)Cc1cscn1 732705527 ATYSSAFKHVZIHW-HXUWFJFHSA-N 438.557 1.912 30 10 IDEE N#C[C@H](C(=O)C1CCN(c2nc3ccccc3s2)CC1)C(=O)N1CCS(=O)(=O)CC1 732908937 USBVTZDGHNJHQO-OAHLLOKOSA-N 446.554 1.479 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 733832328 IYAYBZGGHXBVTR-INIZCTEOSA-N 435.392 1.918 30 10 IDEE CN(CC(=O)Nc1ccccc1Br)C(=O)CCN/C(O)=C1\N=CC=CC1=O 733887993 FVAFSFWMPJJJER-ISLYRVAYSA-N 435.278 1.763 30 10 IDEE C#CCN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 749283494 DRFYLJSBEVNFFC-XLIONFOSSA-N 437.993 1.715 30 10 IDEE COC[C@](C)(CO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 751542102 CHPPPHBTYUKDFO-WXNAFCGMSA-N 426.539 1.799 30 10 IDEE C#CCN(CC#C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 752302342 IPPZKMAOAKYZTM-XDJHFCHBSA-N 425.510 1.806 30 10 IDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H](C)C1CCOCC1 756533722 UOLKPHTVSVRFBW-CQSZACIVSA-N 427.457 1.972 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 784126748 FNRZQMHTFGTCSF-KRWDZBQOSA-N 436.965 1.989 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)cc1Br 790838004 BDTIEXUCGKDLSH-YOGCLGLASA-N 427.276 1.367 30 10 IDEE C=CC[C@]1(C(=O)NS(=O)(=O)c2c(C)nn(C)c2OC)CCCN1C(=O)OC(C)(C)C 791889304 OQMJDPKHADDLAI-LJQANCHMSA-N 442.538 1.888 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cncn1C 796615645 VNOIBVGVWLFMAJ-VQIMIIECSA-N 429.502 1.487 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2CCOC)CC1 802347229 XCEAMSCBYMWUPY-IBGZPJMESA-N 426.521 1.025 30 10 IDEE Nc1nccc([C@@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 803234822 RAQHQVYNBKIREY-CQSZACIVSA-N 428.518 1.284 30 10 IDEE C#CC[C@@]1(C(=O)NCC(C)(C)N2CCS(=O)CC2)CCCN1C(=O)OC(C)(C)C 809681459 WOFIXZVUUNPRST-NRFANRHFSA-N 425.595 1.739 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCN(c3cccc(C#N)n3)CC2)C1 816569402 KGBFOZWZILKAFQ-GOSISDBHSA-N 442.564 1.839 30 10 IDEE CC(C)CN(C(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 850704189 UAILJVHQJPAGJU-RQRKTLAASA-N 430.592 1.690 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C1(C#N)CCSCC1 1124585343 NGZQXXMAAWUKAE-UHFFFAOYSA-N 438.575 1.607 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1133295061 HJWLHNYNKLJXDG-IAGOWNOFSA-N 441.488 1.889 30 10 IDEE COc1ccc2c(C)c(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c(=O)oc2c1 1134276022 PYPOHOKGXODDMB-QKKBWIMNSA-N 430.482 1.439 30 10 IDEE C#CCOc1ccccc1CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1146919546 DZGSOYXDYFFPMS-VGOFRKELSA-N 448.541 1.597 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCO[C@H](CNC(=O)NC)C2)nnc1-c1ccco1 1147719654 CUGPSKRBSURGJQ-CQSZACIVSA-N 434.522 1.363 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)OC 1151604108 FSAMCYYDSGRPLC-MRXNPFEDSA-N 436.534 1.380 30 10 IDEE C=CCNC(=O)NC(=O)Cn1cnc2c(cnn2-c2cccc(Br)c2)c1=O 1189833131 VAGVFGIAECVYAZ-UHFFFAOYSA-N 431.250 1.357 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OCC 1194187067 PIWHSWKUOVQPQN-HNNXBMFYSA-N 430.548 1.647 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1195261551 SSBIWKPHGOBQGP-SFTDATJTSA-N 449.573 1.382 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(C(=O)c3ccccc3)c2)CC1 1219852361 LJMUVBNXXMZQPD-UHFFFAOYSA-N 440.525 1.843 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NCc1noc(-c2cccc(Br)c2)n1 1224763650 RGWPTJLNLDPVBK-UHFFFAOYSA-N 429.296 1.899 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286321292 LSJULPLRQRRIEL-IBGZPJMESA-N 438.580 1.615 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1286389628 NRUIRIXBPTWJMI-MOPGFXCFSA-N 445.593 1.180 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@@](C)=O)CCC2)CC1 1286473249 JITMIPHGXOHEHQ-WJOKGBTCSA-N 442.545 1.910 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCNS(C)(=O)=O)CC1 1286474917 NOLJRPNYXZUHMR-UHFFFAOYSA-N 430.578 1.202 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286506279 HHSGIWPSFBVXRR-DLBZAZTESA-N 426.608 1.942 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286620162 GJSQBPOFGMBIIC-OLZOCXBDSA-N 439.991 1.044 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286621088 ZPLFWAPVFZILCC-GJZGRUSLSA-N 447.005 1.774 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)(C)C)CC1 1286646203 NHGNQKGRZJDCJT-INIZCTEOSA-N 427.571 1.583 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 1286713756 IEVBVXSUGIQVFE-HNNXBMFYSA-N 434.566 1.455 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCCC1 1286727277 OKXZKDTVWFAHOF-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)C1 1286800793 RASDLLVWJOHZLF-DOTOQJQBSA-N 449.581 1.179 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286820773 RNVOPHOPTJJWEI-NVXWUHKLSA-N 434.566 1.630 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1289201333 LUEBLZFUWBKPLN-WFXMLNOXSA-N 431.514 1.574 30 10 IDEE CC[C@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291759908 MNGMYSGJTZHAKJ-HNNXBMFYSA-N 440.552 1.682 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)CC1 1297605152 GHUJJWYKHJOFJL-UHFFFAOYSA-N 435.536 1.635 30 10 IDEE C=CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1299259905 PHPFZPFOOASAIW-QGZVFWFLSA-N 436.555 1.672 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1300276439 MSZKCRAFVYDFBM-LLVKDONJSA-N 431.298 1.705 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1300308158 MYCJIFVMFZBGNF-MAUKXSAKSA-N 433.534 1.126 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@@H]2CCOC2)cn1 1300328295 JJCADXNBOXNCIF-DMUMMCEESA-N 428.537 1.861 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccn(CC)c2=O)CC1 1300682763 QVPUKBIKZAKJSB-UHFFFAOYSA-N 439.564 1.182 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300690150 DFQWGAXPLAHCQK-INIZCTEOSA-N 433.965 1.788 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1300717144 ZUKAHYBBDHMZIY-UHFFFAOYSA-N 440.495 1.712 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CCSC2)CC1 1300719525 DYGWIDFKARZKKB-NRFANRHFSA-N 426.546 1.174 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1300930259 FKEPOQAFWUDFQI-OAQYLSRUSA-N 435.477 1.060 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1)OC 1301002175 DGSZGMXHAOTCMS-HXUWFJFHSA-N 436.520 1.986 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301152163 VOUKBMXACFHJOT-DLBZAZTESA-N 439.582 1.124 30 10 IDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F)C1CC1 1301322547 JVTNIEYPYOXGGA-UHFFFAOYSA-N 426.399 1.839 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1301497708 BDFCVSOPLDMENO-GOSISDBHSA-N 432.569 1.905 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(CCC)C(=O)C1 1301588260 FCNXOBFSCYYLJC-QGZVFWFLSA-N 439.582 1.569 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1Br 1309035084 HWXLTRFOIXWRQY-UHFFFAOYSA-N 445.314 1.982 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3c(Cl)cccc3-n3ccnc3)C2)c(=O)nc1O 1312764939 ALDDQZGHYSTVFG-UHFFFAOYSA-N 425.836 1.426 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1358913662 UUYCWBCAJXNLHF-SJORKVTESA-N 441.623 1.746 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358940094 NSLKPAWOCKUIJN-VQIMIIECSA-N 445.486 1.653 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1358946434 VIPMCPJITANCIR-UHFFFAOYSA-N 433.516 1.803 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358961090 RJEDFRLYMCTTGE-DYESRHJHSA-N 446.577 1.549 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1359000537 YHXLCBZQUHRNCH-CHWSQXEVSA-N 426.568 1.560 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2COCCO2)CC1 1359033125 QPWXPGVPSTXVCR-GOSISDBHSA-N 427.505 1.133 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1359034263 JVYGOAQNUZFIQF-OALUTQOASA-N 440.596 1.322 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOC(C)C)CC1 1359036168 OZCFTDYKYRCSST-UHFFFAOYSA-N 438.580 1.632 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359214930 PUKJSISFQZFXML-GOSISDBHSA-N 429.569 1.330 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359298567 DOANQCVQKPJMFY-MRXNPFEDSA-N 427.509 1.666 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1359303586 UMMWPEBOJMGDDV-QHCPKHFHSA-N 425.533 1.751 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](N2CCOCC2)C(F)(F)F)o1 1361227021 FACZKYKZCDRPFI-HOCLYGCPSA-N 440.426 1.838 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCN(CC(F)(F)F)CC1 1436724908 FOHVDHPWIGATNF-UHFFFAOYSA-N 432.468 1.977 30 10 IDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1453287744 WPMVBFPYOCSSLH-WZGPROSRSA-N 428.489 1.446 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 1454114037 GTRJBSWWMIIDGH-QFIPXVFZSA-N 429.528 1.872 30 10 IDEE CCn1c2ccccc2c2cc(NC(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)ccc21 1459181509 BPGDZUAEYQYKSV-UHFFFAOYSA-N 431.452 1.640 30 10 IDEE N#C[C@@]12CN(C(=O)COc3ccc(Cl)cc3Br)C[C@H]1CS(=O)(=O)C2 1462992215 ZTCUAIQVLPUBIT-BONVTDFDSA-N 433.711 1.878 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)cn1 1464042949 PFXYJHKUBCEWAK-UHFFFAOYSA-N 430.255 1.683 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)C1=O 1471145850 DIEMZIHKIANSRD-CQSZACIVSA-N 436.509 1.505 30 10 IDEE C=CC[C@@H](CC)NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1478538722 XGUHGCANJLYEER-QGZVFWFLSA-N 437.566 1.289 30 10 IDEE Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)s1 1492773249 ABVRXVQMMAVVEB-UHFFFAOYSA-N 429.531 1.506 30 10 IDEE CC[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1497523437 BNIYRFGQZGUBQQ-LAYTVVDLSA-N 429.525 1.569 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1507532368 HDZGFAOTIXJPSH-HZPDHXFCSA-N 433.516 1.972 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1507629040 RFTMOGUVEFGOBI-FQEVSTJZSA-N 449.540 1.420 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1507629458 MMXGMXUNNFIZSE-OALUTQOASA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507636031 XMPLBZGIJSLVED-QGZVFWFLSA-N 442.570 1.704 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1CC1(O)CCS(=O)(=O)CC1 1507698364 MBMDASXXCIIDEJ-UHFFFAOYSA-N 446.573 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2([S@@](C)=O)CCC2)CC1 1507741154 MSOYTZLJISZBOU-BJLXPSRBSA-N 433.578 1.397 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC=CCC2)CC1 1507885175 UGCURWPJLFKGCN-SFHVURJKSA-N 436.582 1.029 30 10 IDEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507931955 KDGXJROFERQRDJ-UHFFFAOYSA-N 437.548 1.967 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(CC)cs2)C1 1508085010 DXQQEZKEDOQGKW-ZBFHGGJFSA-N 443.577 1.934 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N2CCOCC2)C1 1508121878 BBDLSOHSHYQJNJ-INIZCTEOSA-N 447.486 1.787 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1508417098 HTSBELQNWQCJNL-AWEZNQCLSA-N 426.477 1.552 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516963701 RERKYAKKHJKYAS-UHFFFAOYSA-N 442.483 1.830 30 10 IDEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)NCCn1cnc(C#N)n1 1525393513 BLVRWHZPNBEBCV-NRFANRHFSA-N 426.477 1.641 30 10 IDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)nn1 1529543830 KMTOAKUDDVKHHC-UHFFFAOYSA-N 428.312 1.407 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C#N)C1CCCC1 1533581675 KGOREQLOTWQVFM-IBGZPJMESA-N 434.562 1.834 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)[C@H]1c1nccn1C 1534380070 UDGOGWTVBSYVLC-SFTDATJTSA-N 436.516 1.365 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C)c2)CC1 1539094257 MYJCHIDABYQREN-SFHVURJKSA-N 430.578 1.937 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CNC(C)=O)CC1 1539104181 GFNSBTQNCPTPBS-UHFFFAOYSA-N 433.520 1.687 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)N1CCOCC1 1539126463 VSDUHZNJHINGNM-LJQANCHMSA-N 425.489 1.499 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539215893 LEIMONGOXRWKTI-MRXNPFEDSA-N 432.550 1.062 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539216826 XOIRPBDJIXXAEK-GOSISDBHSA-N 429.546 1.662 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1539401001 PHCOAMKNORZWME-GHTZIAJQSA-N 434.537 1.559 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCS(C)(=O)=O)CC1 1539459591 LDPCYXFKGAIHNY-UHFFFAOYSA-N 431.562 1.274 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539621625 RVAXKNCPYZAMAK-WOJBJXKFSA-N 444.580 1.508 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539743351 DBVONBFYRTWQQQ-UHFFFAOYSA-N 425.493 1.453 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539962821 DIYILGOIGNVXFU-ZWKOTPCHSA-N 429.569 1.328 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1CC 1540037092 BASGWKUJUZEYNO-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCN(C)C(=O)OC(C)(C)C 1565095267 BESXAXDOGGZNFV-MRXNPFEDSA-N 447.540 1.452 30 10 IDEE CC(C)NC1(CO)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1569365983 GTGSMMJKUDLWJN-GOSISDBHSA-N 427.505 1.115 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1583811659 IQASHKCGBWUWSK-OAQYLSRUSA-N 427.526 1.594 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(C#N)CCCCC3)CC2)cc1 1586837392 YQHVQHMPQOLLDN-UHFFFAOYSA-N 434.562 1.737 30 10 IDEE N#C[C@@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccc(OC(F)(F)F)cc1 1587308654 IBLZQEZRIWFHDC-GFCCVEGCSA-N 439.375 1.875 30 10 IDEE CN1CCN(C2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)CC1 1587537556 BOZZFGYBFWWXFI-HXUWFJFHSA-N 438.532 1.002 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCOCC1 1587578964 AUKBAKCIFZJEBB-OAHLLOKOSA-N 430.505 1.970 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1587626264 JOBDAVDAZUQGRL-HKUYNNGSSA-N 436.564 1.272 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1587975396 ZMOHKGHKLGXYKX-UHFFFAOYSA-N 431.504 1.506 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588039625 AVHQYENENCWGKI-LDLUVENISA-N 445.570 1.212 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588065003 RBEWAYDFLWQJLM-GOSISDBHSA-N 435.619 1.897 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC1 1588581165 ITLXSIWFGCNGHQ-UHFFFAOYSA-N 432.550 1.158 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCOC[C@H]1OC 1588673669 WTDRKKLDXMITFW-AZUAARDMSA-N 438.532 1.654 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)NCC)CC1 1589305292 QBMWYXCFNSPWGK-AWEZNQCLSA-N 445.362 1.762 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(=O)(=O)CC 1594948695 JYZARUVBAYYICJ-UHFFFAOYSA-N 431.522 1.546 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1595490348 QDRQXHCCVSZGQQ-QGZVFWFLSA-N 443.939 1.941 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C 1595603037 WAILVHWJVGCICP-UHFFFAOYSA-N 426.587 1.128 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)Cc2c(C)nn(C)c2C)ccc1F 1596491906 IUGPFVQADYQMMJ-UHFFFAOYSA-N 438.525 1.929 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)OCc3cn(C[C@@H]4CCOC4)nn3)CC2=O)cc1Cl 1597905286 HHNMLSLQFOJVMQ-DZGCQCFKSA-N 429.864 1.936 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1611314641 MGBVNVXIYDCEQE-NVXWUHKLSA-N 441.511 1.622 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1611531698 GMVHTPNBOHJUOU-UHFFFAOYSA-N 434.514 1.494 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(C#N)CC2)[C@@H](C(=O)N2CCC(C#N)CC2)C1 1614568060 CHGXCNQURIMWEZ-KDURUIRLSA-N 443.548 1.994 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cc(=O)n4ccccc4n3)C2=O)cc1 1614585016 ZKCSSDIDOFSDBG-QGZVFWFLSA-N 430.424 1.088 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1620043899 PNUWXIZRPBRLTK-SIKLNZKXSA-N 427.505 1.600 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](C(=O)OC)C[C@@H]3C(=O)OC)n[nH]2)c1C 1623714565 KGEIFAOSQQFHEF-WMLDXEAASA-N 429.477 1.643 30 10 IDEE Cc1[nH]nc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1I 1630585104 GVYATCSDIIWYDZ-SECBINFHSA-N 437.245 1.335 30 10 IDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1632070215 WWWGFLRPAYCYCY-PBHICJAKSA-N 437.518 1.232 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)ccc2CS(C)(=O)=O)cc1 1635011339 VJKYSBDKSDJHOY-UHFFFAOYSA-N 438.502 1.212 30 10 IDEE COC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1644448795 LSYKOCDKIORNIP-UFYCRDLUSA-N 432.496 1.235 30 10 IDEE CN(CCc1ccc2c(c1)OCO2)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1644838928 JWFMCKZHCZBGJQ-UHFFFAOYSA-N 429.498 1.935 30 10 IDEE CCOC(=O)[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[C@H](O)c1ccncc1 1648266225 GVKVFOXBQZPGTM-NSISKUIASA-N 426.448 1.700 30 10 IDEE CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1655683365 AGOHIYNOEFMCFA-LXIYXOSZSA-N 425.532 1.430 30 10 IDEE C#CCC1(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCCCC1 1673448578 KNMXABJVNQOBGX-UHFFFAOYSA-N 433.530 1.856 30 10 IDEE CCOC(=O)CNC(=O)C1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1683181012 DXTXMZNNZWRUPT-UHFFFAOYSA-N 441.532 1.628 30 10 IDEE CCOC(=O)CS[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(F)(F)F 1683622145 SFQVIMNEGZVXQN-LBPRGKRZSA-N 436.460 1.665 30 10 IDEE CC[C@@H](CN1CCOCC1)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1685299053 DSPWMOXOWVXCOX-FQEVSTJZSA-N 437.548 1.891 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1689913761 UYUOZESHGPEKNI-MRXNPFEDSA-N 449.581 1.229 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1689924668 PCLAEYVPAVZREL-UHFFFAOYSA-N 437.548 1.627 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1689926322 NIUDNOKQOSCZPG-INIZCTEOSA-N 433.516 1.755 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(SC)cc1 1689965962 HRKQBYXMYVFOSM-GOSISDBHSA-N 449.602 1.645 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1689966652 YCDDHBQBRAGMFE-KRWDZBQOSA-N 429.525 1.861 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689992489 LHNWKARQNYQBMP-SFHVURJKSA-N 434.537 1.796 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cc(C)on2)CC1 1690137485 AQISVUDGWICERU-MRXNPFEDSA-N 430.509 1.313 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2Cc2nncn2C)CC1 1690150268 AZLPYWFPDYFBBZ-UHFFFAOYSA-N 448.531 1.042 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2csc(COC)n2)CC1 1690152255 DOPVYGKIJMTTGQ-UHFFFAOYSA-N 432.550 1.432 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690419158 JCUUKWFWHIDGNE-INIZCTEOSA-N 444.584 1.861 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1690609276 JHFNFZDZOKTBCH-UHFFFAOYSA-N 434.585 1.388 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2)C1 1690670961 MNWGCSHFAGGKAC-MSOLQXFVSA-N 429.546 1.476 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)(C)C)CC1 1690674822 GNXZHJCALNQIHJ-UHFFFAOYSA-N 428.585 1.753 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(N3CCOCC3)CC2)CCOC1 1692585814 MVNKSKQYEZDZIJ-XMSQKQJNSA-N 432.569 1.922 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705523844 ABUCGNQDCTVPHL-ZWKOTPCHSA-N 438.536 1.792 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1705558788 IEMZHHWSGJMFLO-KRWDZBQOSA-N 445.545 1.100 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705558997 NVYPYPBXYVBTFN-GOSISDBHSA-N 429.546 1.400 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1705560663 JDKYORYYHXUCIO-QGZVFWFLSA-N 445.501 1.517 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705566014 LIRNPCFEBOYXOG-GUDVDZBRSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1705573358 FIBIXUUFWDFTPI-OAHLLOKOSA-N 435.937 1.694 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1705595745 FCVCRQCUENWDNR-IBGZPJMESA-N 443.555 1.997 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1705620299 QELMWBCRJKNTSX-KRWDZBQOSA-N 447.536 1.485 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C(C)C)cs2)CC1 1705639663 UDGJDTBXIIUDQM-INIZCTEOSA-N 448.618 1.564 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705754650 CJYXPNZFLDYKKL-QGZVFWFLSA-N 449.964 1.895 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705899979 MFBMYSLXPWIOQG-UHFFFAOYSA-N 431.500 1.605 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705907066 YQTRWIVDICIABU-YOEHRIQHSA-N 444.923 1.528 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CCC(C)(C)C)CC1 1705936176 LASPEQAUVQFJLJ-SFHVURJKSA-N 439.626 1.941 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1706760093 XXLBRXTVQWNJFQ-AEFFLSMTSA-N 448.531 1.888 30 10 IDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)COCCO1 1706963525 MFIZSYLBQUDLIF-QFIPXVFZSA-N 427.505 1.743 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCOCCCO 1708152202 AIYBWEBJEDMKHZ-INIZCTEOSA-N 428.541 1.351 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708473509 BGQIOFIZPHDGGL-KKTDKQOYSA-N 427.509 1.177 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1708663985 DLNDHPSBRWWDBK-RBUKOAKNSA-N 438.532 1.831 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1711386271 DUIRPQNZOUNBHN-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1722300639 FRDFVYRLWJWIST-GOSISDBHSA-N 447.630 1.900 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1722364758 AINHGRUCPBDMPJ-AEFFLSMTSA-N 449.533 1.329 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722377662 GQMBENJKHKZUGB-OALUTQOASA-N 432.507 1.759 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccc(-n2cncn2)c1 1722425797 MUBHKPXOYANBOH-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722494435 PXSGSNKWVUOUCZ-OAHLLOKOSA-N 439.358 1.439 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722536524 XJTKSQBZGCUKRP-INIZCTEOSA-N 431.497 1.263 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)N(C)C)CC1 1722565648 AXIOKOJPNHHSKA-SFHVURJKSA-N 433.534 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722695075 RUAQSGUATZXWDO-KSFYIVLOSA-N 427.505 1.640 30 10 IDEE CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1723932759 CIMKDSUIXYAWDU-BXWFABGCSA-N 441.577 1.451 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1)OC 1730471189 AYMFZFDTHKXQJJ-IBGZPJMESA-N 443.504 1.780 30 10 IDEE COCCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1730724256 OTMNWGWWAJUSAZ-QURGRASLSA-N 449.515 1.890 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1730943309 IHVDOVBENHOPBJ-SBNWMZBLSA-N 444.536 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1740652931 RXJPPRPQCYANCH-UHFFFAOYSA-N 434.525 1.791 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cccn1 1740684628 XCTKMENYQWUBGR-UHFFFAOYSA-N 432.488 1.967 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO 1740730777 HZCVRODBRKHPPN-LVCYWYKZSA-N 435.594 1.019 30 10 IDEE C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740740548 FUBDJLHNXPYXPQ-OAHLLOKOSA-N 428.294 1.939 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1740817616 MPQOYSNWFOILBB-HNNXBMFYSA-N 430.475 1.836 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740963434 KPRLENCXSRWZKW-QGZVFWFLSA-N 433.534 1.091 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ncc(Cl)n1C 1740966083 OVQYYIILCGSEQJ-GUYCJALGSA-N 437.932 1.328 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCOCC2)C1 1740985372 GLUZRMHTQGOFNX-BJLQDIEVSA-N 449.552 1.032 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1741002363 HWGAOOYGFLJAEB-KRWDZBQOSA-N 427.640 1.877 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1741076415 HUFGUICPXYQYQB-PKOBYXMFSA-N 442.545 1.356 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1741988492 RISOBOFCJSQWMN-MRXNPFEDSA-N 437.566 1.242 30 10 IDEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1743177711 UHQPUGZBTIFRTB-SFHVURJKSA-N 437.504 1.953 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1744802649 CVCJRGWAEDWNDN-BUNKOAGESA-N 441.536 1.552 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(N)=O)c1 1748666439 APUSAVKOIGQIMB-CQSZACIVSA-N 436.472 1.376 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748671060 GDKFBZVLRPSFIT-HOCLYGCPSA-N 437.566 1.505 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@](=O)CC 1748959960 BUALSVLIWQDLND-SSEXGKCCSA-N 428.518 1.449 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)c(OC)c2)CC1 1748973137 YHGGGQGRGBCBTB-KRWDZBQOSA-N 446.577 1.009 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1748991130 QXNXGYIAIBCTPK-UHFFFAOYSA-N 448.618 1.649 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCc2nnc(C)s2)CC1 1749019465 VNULPGBICRJXJR-QGZVFWFLSA-N 443.577 1.888 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749019658 CKELGBKRTXLRQR-UWJYYQICSA-N 433.578 1.655 30 10 IDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1749029925 ZRJPWIRDMQDSJD-UHFFFAOYSA-N 430.553 1.709 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1749303732 OAKYBWVWWIFWJK-JKSUJKDBSA-N 428.580 1.161 30 10 IDEE C=CCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749646377 PNVGBIAPEBNQIO-QFIPXVFZSA-N 432.569 1.251 30 10 IDEE C=CCn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1[C@]1(OCC)CCOC1 1749646711 XVMOFTZCCIXKEA-OFNKIYASSA-N 448.612 1.347 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1749710340 WFYMGNLAXMESAI-LJQANCHMSA-N 438.532 1.590 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760167802 CWAQJVUNPMTZJX-INIZCTEOSA-N 447.561 1.703 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1760253050 LVDRQEGSKHPPJF-UYAOXDASSA-N 447.580 1.532 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCSC2)n1 1760253159 WQOLBWUJYSFGOK-KRWDZBQOSA-N 440.577 1.914 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OC(F)F)CC1 1760261945 XMDLKRCOGGWHBU-UHFFFAOYSA-N 444.486 1.805 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1760262007 XXCXDSNMSDCBNP-SFTDATJTSA-N 441.624 1.524 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCCC)CC1 1760264423 NDECAZNLVGJNKG-UHFFFAOYSA-N 430.940 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCCCC2)CC1 1760268832 QGISBGMISLSFAO-IBGZPJMESA-N 441.580 1.071 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1760300291 DECXCXHVOPYIFG-DOMZBBRYSA-N 436.376 1.802 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760359924 YMJIGEQNIDEQRX-UHFFFAOYSA-N 439.520 1.377 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760370692 AKWNGZJONKCMFB-INIZCTEOSA-N 441.927 1.978 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1760383674 WHROEJMFNAKTMV-KKSFZXQISA-N 432.525 1.463 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1760433771 VTJHRMLAHVNCBT-INIZCTEOSA-N 444.565 1.448 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1760835097 FSCZQIOYXLBNPL-SFHVURJKSA-N 433.520 1.735 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)COCCO1 1761573000 CKCUUNWEHKZPDP-QFIPXVFZSA-N 425.537 1.974 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)O 1764178032 XUJMNLZBYDWAQS-UHFFFAOYSA-N 440.552 1.561 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1766197546 CJQJSFVUTTVUBS-GOSISDBHSA-N 438.532 1.996 30 10 IDEE Cn1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)n1 1769022296 DAQRJQYDZHNQGU-OAHLLOKOSA-N 445.325 1.751 30 10 IDEE CC1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1772846319 NMGQCOLHCVTIDR-HTXNQAPBSA-N 441.536 1.667 30 10 IDEE CN1C(=O)[C@H]2CN(C(=O)C3CCN(c4c(C#N)cnc5ccc(F)cc45)CC3)C[C@@H]2C1=O 1848552566 YZZODHQFGDMMTN-ROUUACIJSA-N 435.459 1.535 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)n1 1851333652 NIMFEJBNPZMANH-UHFFFAOYSA-N 426.502 1.095 30 10 IDEE COc1ccccc1N1C[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC1=O 1851581280 SAUDYVSDBLQPFL-LJQANCHMSA-N 449.511 1.680 30 10 IDEE N#Cc1cn(CCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(=O)nc1O 1851701676 UJVWQQRIJUUANY-UHFFFAOYSA-N 428.802 1.710 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCCC2)c2ccc3c(c2)OCCO3)CC1 1853472928 ZPZDTAZEJCKMGC-UHFFFAOYSA-N 449.529 1.787 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)N=c3nc[nH][nH]3)cc21 1858861238 QONVYOBOFBGKCW-UHFFFAOYSA-N 449.427 1.439 30 10 IDEE COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCO)ccc1O 1862575270 UAQDPYYRJZZOAR-IBGZPJMESA-N 429.425 1.989 30 10 IDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862633892 QLGLEQNZRNEHAM-XTZNXHDOSA-N 442.380 1.988 30 10 IDEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870563484 CUPIYDDGSXBRSB-OAQYLSRUSA-N 443.931 1.945 30 10 IDEE C[C@@H](C(=O)Nc1c(C#N)cnn1-c1ccccn1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873681910 WJWAPEVJFZHPKP-NSHDSACASA-N 430.380 1.460 30 10 IDEE CN(C)c1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874273302 DXXWIJXEFPDVOO-QCXKMSLLSA-N 443.577 1.918 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(N(C)C)cc2)CC1=O 1874337886 LARQVCQTFUUKEI-WPZNHYQYSA-N 429.550 1.528 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(N(C)C)cc1 1874431712 YHXYEQDIDSOXDJ-WSDLNYQXSA-N 431.566 1.823 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(=O)n3cccc(C)c3nc21 1875238067 QIEGSOMVMPWOJE-UHFFFAOYSA-N 429.484 1.896 30 10 IDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)C2)c1 1889518437 NTLCLDBYYLQRCQ-CVEARBPZSA-N 441.513 1.292 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3csc(-n4cccc4)n3)CC2)CC1 1890055574 AVDFJIWUYJCFFF-UHFFFAOYSA-N 427.574 1.806 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987532723 MWOBJNLZHBFJDH-PMPSAXMXSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2009894354 SZQPPRDSIRSAAW-SPLOXXLWSA-N 439.509 1.779 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060621628 PNWADMDQONBIKM-AWEZNQCLSA-N 434.302 1.350 30 10 IDEE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H](C)CC1=NO 2108229502 UJOFLURNLGZBQP-VLXJIEOASA-N 425.482 1.901 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@@H]4CCS(=O)(=O)[C@H]4C3)c(Br)c2)OC1(C)C 2172780240 NPASFZJZCILWFT-FZMZJTMJSA-N 443.172 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)O1 2248443212 ZMZJFTCLELHPAU-ZDUSSCGKSA-N 439.343 2.000 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2255830248 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CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2268642768 HMMOEOMNYLEVKD-SFHVURJKSA-N 446.353 1.756 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270496446 NQVZDTDCTAINTM-INIZCTEOSA-N 426.491 1.099 30 10 IDEE COC(=O)c1ccc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1 2296940544 AOBPUXBBHWEYFX-QGZVFWFLSA-N 431.466 1.965 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 2315534904 VRNQDNFIJILEBM-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2320978812 MSFJLTGJIXETTI-VBKZILBWSA-N 440.346 1.319 30 10 IDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2367831953 VTKQQPDRYWKOGE-IBGZPJMESA-N 434.558 1.709 30 10 IDEE Brc1ccccc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 8872013 MSHAGUHSCXJYNG-UHFFFAOYSA-N 448.325 1.753 30 10 IDEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCn2ccc(=O)[nH]c2=O)nc2c(C)cccc12 170576419 JHPWDXDKNZKXTP-UHFFFAOYSA-N 429.440 1.788 30 10 IDEE COCCN=c1[nH]c(=NCC2CCC(C#N)CC2)[nH]c(=NCC2CCC(C#N)CC2)[nH]1 440639341 SAGQALSXBCIRGI-UHFFFAOYSA-N 426.569 1.679 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCOc3ncccc3F)ccc21 471060310 BUOSNZDLHPDSPS-UHFFFAOYSA-N 439.447 1.937 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 489236763 LUKFIGUFLGZHCG-BEFAXECRSA-N 431.555 1.147 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 508994816 ACJSHORFHYOLAI-NRFANRHFSA-N 426.565 1.806 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)cc1 525173209 LLDHYCBDQZSJEJ-UHFFFAOYSA-N 445.544 1.886 30 10 IDEE C[C@@H](C#N)CN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C1CC1 535109384 DWLOEOXSCTUMJG-HNNXBMFYSA-N 435.550 1.929 30 10 IDEE COc1ccc(COc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1C#N 535359931 GYOZBPUPUOHRAV-UHFFFAOYSA-N 429.498 1.863 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 549327121 XCAREBUBTWEHGS-RTBURBONSA-N 426.521 1.291 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 553979170 UMUWDESZJSFYAM-MSOLQXFVSA-N 425.510 1.841 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2Cc2ccccc2)cc1 558913796 OJCHBKYURLWBLQ-IBGZPJMESA-N 427.468 1.012 30 10 IDEE CN1C(=O)C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 576913067 FUNCPAPYLLGYCV-PXNSSMCTSA-N 446.916 1.578 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1S(=O)(=O)NCC#N 609029290 AWFYEIPGKHPDKU-AWEZNQCLSA-N 433.515 1.497 30 10 IDEE CSc1nc(O)c(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1C#N 609549233 VEHMQZSVGQKISY-UHFFFAOYSA-N 425.514 1.455 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N=c3nc(C)[nH]n3-c3ccc(C#N)cc3)CC2=O)c(OC)c1 610110427 XNACEUCWXRYIMA-INIZCTEOSA-N 446.467 1.878 30 10 IDEE CN(C)S(=O)(=O)c1cccc(I)c1B1OC(C)(C)C(C)(C)O1 694959567 ROBJMULOOUGYTJ-UHFFFAOYSA-N 437.108 1.841 30 10 IDEE CCOc1ccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccoc3)c2=O)cc1 727416447 PSOFEJJABVBXDW-UHFFFAOYSA-N 439.493 1.156 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 730138865 OEWHEOTZOACZPO-QGZVFWFLSA-N 437.541 1.270 30 10 IDEE N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCN1C1CC1 743163822 NQMYSCOUCQGALE-AWEZNQCLSA-N 431.440 1.731 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(CCCSCC#N)CC1 745983306 MPWDLYKUGYHVMN-UHFFFAOYSA-N 431.605 1.352 30 10 IDEE CC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 757965632 LAFSQYFCDXWSID-MRXNPFEDSA-N 430.324 1.892 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)COc1ccccc1Br 766158988 HBJBJKCVXOVKBV-HNAMICAMSA-N 438.278 1.222 30 10 IDEE COc1ccc(CNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 767682405 VUVZXNUZVYWCDI-CQSZACIVSA-N 431.470 1.093 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CCC1 771077350 JGXKJNQGOKLKQU-CYBMUJFWSA-N 431.561 1.431 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccsc1 783065141 WJKUSKRHTYJYTG-GMXVVIOVSA-N 440.547 1.272 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@@H]2CCSC2)C1=O 790285988 VSOMPECBYDGPJO-KTXKNQKHSA-N 449.646 1.745 30 10 IDEE C=CCOC(=O)N1CCC(OC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 790840750 XWQZTQLLVLKHQM-INIZCTEOSA-N 439.509 1.832 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(CC#N)CC2)cn1 797426617 KEPIDJQOZGJQHP-INIZCTEOSA-N 444.561 1.783 30 10 IDEE COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(C#N)n1 800603181 QYEPRWAWFGAIJG-INIZCTEOSA-N 426.477 1.979 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@]3(CCCOC3)C2)c1 806217425 HAOMIYKKWUDGDL-XLIXHQMESA-N 436.534 1.913 30 10 IDEE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 810352544 REAALIXKXVJZQY-IBGZPJMESA-N 442.497 1.475 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1C#N 813703178 VHOUZOPEMDDUBH-OAQYLSRUSA-N 439.497 1.965 30 10 IDEE Cn1ncc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1I 815895295 MKNZJSFPLMAKNX-UHFFFAOYSA-N 430.227 1.156 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@@H]1CCCO1 818220807 NWHZGMPFGFOYKH-SFHVURJKSA-N 448.548 1.666 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)s1 917767597 AAOAPVVAOOCOOO-CQSZACIVSA-N 432.571 1.129 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(-n3nnnc3C)cc2F)c1 1125488906 FQICROIMABEECP-UHFFFAOYSA-N 448.458 1.597 30 10 IDEE CCOC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccncc1 1129796947 MNKVFMRTPWNGRM-GOSISDBHSA-N 430.486 1.698 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1132193442 ZIDXVHPJJAXREA-FOIQADDNSA-N 437.880 1.653 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)NCC3CCC3)CC2=O)cc1Cl 1136633869 FLZQMCYHLOXGIH-OAHLLOKOSA-N 438.937 1.400 30 10 IDEE C#C[C@H](CO)NC(=O)c1cc(I)ccc1I 1141495585 FUNMUZJPDCQWCY-MRVPVSSYSA-N 441.006 1.620 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)c3cc(C4CC4)nc(SC)c3C#N)CC2)CCOC1 1148014666 HSXVTNYQUIDBDJ-NRFANRHFSA-N 430.530 1.642 30 10 IDEE C=CCCC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OC 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1223902850 WWZNLOXMGWVRMM-LJQANCHMSA-N 429.517 1.420 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1286294214 CDOBWHBUPAVRHL-BBRMVZONSA-N 438.941 1.166 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1286325692 YNOZNGSXENZRIA-NHCUHLMSSA-N 436.560 1.888 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1286376998 QJDXIIFJLKPQAO-CJNGLKHVSA-N 436.538 1.089 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1286393731 RSGAQGIMAMXBSP-KRWDZBQOSA-N 433.578 1.630 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCC(F)(F)C(F)F)CC1 1286470709 BLOKLXQZWTZPQV-UHFFFAOYSA-N 446.449 1.186 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286606687 YDBHKDCNQBWIPA-OAHLLOKOSA-N 446.581 1.562 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286789327 DADKQACGVBJUQI-QGZVFWFLSA-N 426.521 1.443 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1287084165 HRYHXCBUXDFCRS-UHFFFAOYSA-N 433.534 1.779 30 10 IDEE CC(C)(O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287097957 AKDBZCTVSSCYPQ-UHFFFAOYSA-N 438.536 1.155 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1cccc(Br)c1 1289201643 QHOLRCFXBSLEKP-UGSOOPFHSA-N 449.330 1.954 30 10 IDEE CCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1293819483 BMDBKTGSRLHHFN-PGRDOPGGSA-N 440.552 1.732 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1297606292 POJJNYVZZDAESS-JOCHJYFZSA-N 426.521 1.127 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300495577 INXDKYWXAIPSKO-MOPGFXCFSA-N 444.557 1.774 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300506573 VCPMBTCAJAKCOR-QFBILLFUSA-N 448.520 1.952 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCCC2)CC1 1300700699 USQDFKJWRSBVFA-LJQANCHMSA-N 449.621 1.532 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccnc2OCCOC)CC1 1300712630 VASQXPCLXMXHED-UHFFFAOYSA-N 440.548 1.836 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H]2CCCCO2)CC1 1300723074 PJVWORZZKSJAQK-ZWKOTPCHSA-N 428.537 1.154 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300763006 SXNGMUMKYBILTB-IRXDYDNUSA-N 446.577 1.305 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1301501259 UKOSDZLVZBRWNR-HNNXBMFYSA-N 431.928 1.459 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1301503317 YZAHLQSARCZGQB-UHFFFAOYSA-N 432.550 1.044 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2cccnc2OCC(F)F)cc1 1302988776 AABDBJFNMCWXTR-UHFFFAOYSA-N 439.426 1.840 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cc(Cl)ccc2OCC)CC1 1312316755 ISYDTBQJTQCBQR-UHFFFAOYSA-N 428.942 1.076 30 10 IDEE N#C[C@]12CN(C(=O)NC[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)C[C@H]1CS(=O)(=O)C2 1312491683 KKUUSSMZZPGTLS-AGKXRFJRSA-N 435.521 1.479 30 10 IDEE Cn1nnnc1CCCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1313404024 HEMHCCUBDYIIOH-HTQZYQBOSA-N 436.307 1.955 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H](OC)C(F)(F)F)CCOC1 1314141032 NCMWASQRTJTOAL-JJRVBVJISA-N 433.431 1.626 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1315238094 AFVTYUHKFZJZLU-QFIPXVFZSA-N 434.504 1.975 30 10 IDEE COCCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316029608 BOGXDZWMXINCQH-UHFFFAOYSA-N 436.520 1.776 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1316159092 XACAIGBETMOPJM-KRWDZBQOSA-N 442.520 1.369 30 10 IDEE CS(=O)(=O)CCOCCn1c(CCc2ccccc2)nnc1N1CCC(C#N)CC1 1316351698 JCASZWRHBYMDEA-UHFFFAOYSA-N 431.562 1.864 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)CCC1 1316362208 GIKUUYOPPVMTGC-SSEXGKCCSA-N 426.546 1.820 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358961416 YTFAHIFFKQKPGL-RBUKOAKNSA-N 446.621 1.887 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1358969456 PLHWYTXPBRIDJD-ZIAGYGMSSA-N 436.563 1.173 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359032451 OQHUTEJYDKCPBU-KRWDZBQOSA-N 441.923 1.342 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccs2)CC1 1359040344 QIIMAZOQSZSZDC-UHFFFAOYSA-N 440.573 1.784 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1359077813 LUAPDSFCIYVPPV-CXAGYDPISA-N 425.375 1.874 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(C)(=O)=O)C1 1359317356 HGRJRVFTEINHGW-INIZCTEOSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)c1ccc(C)cc1 1359326455 AFYIOTJPWBIMBK-HNNXBMFYSA-N 441.579 1.565 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359331553 CLNUHNDJSQJPGC-UHFFFAOYSA-N 441.561 1.740 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1360338928 NLKDDQKBYISBAF-FGZHOGPDSA-N 430.553 1.927 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1 1448841607 JMEOJODOJWKVFL-UHFFFAOYSA-N 429.473 1.650 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 1450906545 WPLPGSBLZCNOHH-UHFFFAOYSA-N 428.470 1.749 30 10 IDEE N#C[C@]1(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)CCCOC1 1463710743 RAOXMZFLDCPQPB-LJQANCHMSA-N 440.422 1.988 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1467458478 HKBVQPFOBJVAQF-NRFANRHFSA-N 431.493 1.460 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1470615097 IMDMHOHZXGAMQU-FQEVSTJZSA-N 437.475 1.774 30 10 IDEE COc1ncc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C#N 1471780973 FSSOLYDBMUBXTK-UHFFFAOYSA-N 430.364 1.777 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1471820187 IXDINKLJVYFHNH-UYAOXDASSA-N 449.467 1.921 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1C(=O)OC 1472350394 XIUWOOLSWZILKV-IYBDPMFKSA-N 431.294 1.328 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2csc(-c3ccccc3)n2)CC1 1478189994 MFKBYJIDPGPPLN-UHFFFAOYSA-N 433.559 1.147 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)Cc1ccc(F)cc1C 1478876448 QMMRFNKEEIGQAZ-GOSISDBHSA-N 438.507 1.837 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1503732061 GJRFUEUOZFTKOK-QFIPXVFZSA-N 449.519 1.373 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(CC(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@H]21 1505088351 DAZUFWAOALMROD-QHCVXRDESA-N 428.537 1.722 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(OC)OC)c1 1507516089 JSTHNWFVFBALQB-GJZGRUSLSA-N 435.550 1.686 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507593377 NXPPAGHCKBPTGN-OAHLLOKOSA-N 435.575 1.696 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1507632996 RCJZKJXDQLVTFD-ROUUACIJSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1507642117 GURIXVZCHACESQ-MGPUTAFESA-N 447.586 1.511 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1507670817 CHVTWWXBMXDKNH-SFHVURJKSA-N 435.594 1.756 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2COCCO2)CC1 1507720244 CFJZLCHIMXNILR-PXNSSMCTSA-N 429.496 1.728 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[C@H]2OC)CC1 1507738789 YTEICLVNKAEEMW-IEBWSBKVSA-N 425.537 1.460 30 10 IDEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507756072 YCAWBOOINARKBO-FXAWDEMLSA-N 430.622 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1508137605 OGAONCFSQOUUFT-GJZGRUSLSA-N 441.579 1.199 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1508142298 SCNMRRBGWIXSER-AEFFLSMTSA-N 447.536 1.963 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1508423377 GRKRFFOEMTVSOG-GJZGRUSLSA-N 428.534 1.489 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1519528343 KULCMUBELTZSBT-MSOLQXFVSA-N 431.518 1.624 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1539257469 KDRCEWIOEXQQLG-XDHUDOTRSA-N 430.512 1.816 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccnc2)C(C)C)CC1 1539459440 HFKSPZDVSJBJBC-OAQYLSRUSA-N 435.576 1.991 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539459786 NQWSLZVIFIQFJU-JTSKRJEESA-N 444.605 1.822 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CCC2)CC1 1539466782 GSPCXHOVLFZGSR-UHFFFAOYSA-N 432.594 1.668 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1539599210 AFKZULPQAUVXPR-CQSZACIVSA-N 443.371 1.942 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1539721787 HNJHEFPHVUIXIG-INIZCTEOSA-N 431.497 1.376 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540867605 AXDIMTATAJVYMU-OALUTQOASA-N 427.505 1.640 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)C1 1540884110 KDAMJXYWAJFFKB-AQEOSJORSA-N 441.598 1.875 30 10 IDEE CC1(C)COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1542014038 REHHQPQVONWMBB-MRXNPFEDSA-N 446.502 1.987 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccc(F)cc2)n1 1543066464 DQOZSZYECWHTRM-DENIHFKCSA-N 439.495 1.915 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1554796995 RBXRPZMYGAAFSR-VQIMIIECSA-N 429.477 1.497 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555273476 PZLJMARJGAQUMB-RTBURBONSA-N 441.511 1.408 30 10 IDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1555528882 ICBVEMCCNMTLGT-QZTJIDSGSA-N 428.537 1.921 30 10 IDEE COCCOC1(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1555681151 PTNBIIVJQMRSOJ-KRWDZBQOSA-N 434.541 1.465 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC[C@H]2CCOC2)cc1 1555988704 MBPMKRYNJBOYCF-QUCCMNQESA-N 438.532 1.962 30 10 IDEE C=CCONC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)CC 1556632990 MDFQVJPLPSQLQD-MLGOLLRUSA-N 431.942 1.969 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1587879198 PAFHMGUSFPKGIR-UHFFFAOYSA-N 447.609 1.803 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588050683 ULOCHQAXCQNVFS-QGZVFWFLSA-N 437.635 1.610 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588112677 AABLAWXJBJZLTC-SFHVURJKSA-N 448.552 1.848 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC)OC)CC1 1588890658 CXAFCQXCFOJFCN-CVDCTZTESA-N 447.580 1.710 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCCN2CCOCC2)CC1 1588929575 DAHOBMOSAYUOPE-UHFFFAOYSA-N 428.581 1.624 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1589403609 AKZBYVARZPWIIP-RBSFLKMASA-N 445.383 1.952 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1593691092 QVHNSLFQWRYBQQ-FQEVSTJZSA-N 437.566 1.122 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCNC(=O)CC1 1595777220 KDWJZMDVYJNQHO-UHFFFAOYSA-N 440.529 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2)CC1 1595789614 XZPRTAMKULFJEW-SFHVURJKSA-N 444.561 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCCCO1 1595823705 RJTADXIOXQUBPY-INIZCTEOSA-N 425.555 1.007 30 10 IDEE Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648989 QEMVKHFIGCUPLM-UHFFFAOYSA-N 437.456 1.737 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)cs1 1612412679 VIWQNBSMCJXWGM-KRWDZBQOSA-N 429.550 1.669 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC)C1 1617332147 HZPXWHPIYHCVFS-SFHVURJKSA-N 433.534 1.779 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)C)c1cc[nH]n1 1625059747 OMPAPAPKOUMIBB-UHFFFAOYSA-N 433.440 1.708 30 10 IDEE CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1634523924 SZNNBNUSURVCAI-CQSZACIVSA-N 432.889 1.679 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1OC 1634782212 GFVHJYJTOKMDNO-FUKPKEADSA-N 434.558 1.995 30 10 IDEE Cn1cc(C(=O)NCc2ccc(C(=O)NO)cc2)c(CN2C(=O)c3ccccc3C2=O)n1 1639591191 PYYVSUFUQGCATD-UHFFFAOYSA-N 433.424 1.265 30 10 IDEE Cc1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)nc2c1c(=O)n(C)c(=O)n2C 1640219111 PDDRHZMYIWLXKD-KRWDZBQOSA-N 432.484 1.163 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1651083167 WIDOELKQANKOSC-WMZOPIPTSA-N 431.514 1.890 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 1660463923 JCAAIRZKCPQOFP-UHFFFAOYSA-N 446.342 1.175 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1675018846 VVEIZKPUHHTSQE-QGZVFWFLSA-N 426.514 1.914 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689993094 VKJGQCZCEQNOCH-HXUWFJFHSA-N 444.605 1.621 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)c1ccccc1 1690077069 HZGRXKCFRBCZGL-MOPGFXCFSA-N 447.561 1.458 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1690112313 UVVBZADXMPEPMN-QGZVFWFLSA-N 432.569 1.841 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690227524 AZDYDVUJQJPKPP-UONOGXRCSA-N 448.387 1.946 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690503906 RSBXIEFXMUENMN-INIZCTEOSA-N 427.505 1.976 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690673022 LMHNKUJLRFBTLQ-OAQYLSRUSA-N 428.924 1.541 30 10 IDEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1691354670 AIBJYQQKAAOFCD-NRFANRHFSA-N 429.546 1.993 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1692513560 LHVITCSQPFXSMD-QJGXAYKQSA-N 427.509 1.035 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCn2ccnc21 1692781191 CEBCWIJHHLDTCY-NVXWUHKLSA-N 446.581 1.792 30 10 IDEE CN1C[C@@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1696874072 CJNULWCJVZSLOC-RBUKOAKNSA-N 431.497 1.190 30 10 IDEE CO[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697661064 VMVCOVNICXZCSQ-LTCJTPMSSA-N 430.509 1.661 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492345 BRNIHWWMPNMIGY-AZUAARDMSA-N 449.490 1.476 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(CC)CC)N(C)C 1705551314 LMYWOZXNYFSQJP-MSOLQXFVSA-N 440.614 1.047 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCNS(C)(=O)=O 1705625587 PMJBEPQSYPRWIA-UHFFFAOYSA-N 429.481 1.063 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1705638040 VZRRXWHGBCANON-IBGZPJMESA-N 442.568 1.595 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCOC[C@H]2OC)CC1 1705640367 ORLIZOVOEXIAEE-DYESRHJHSA-N 445.514 1.954 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCSCC2)CC1 1705649244 QFRMEBOTPRYDKW-UHFFFAOYSA-N 441.605 1.298 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1705672281 RREADZNYSQNUGP-HXUWFJFHSA-N 429.546 1.580 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1705844258 YQYIVDARCLHFDK-GOSISDBHSA-N 437.541 1.923 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCOC1 1708149767 TXNLBUUGCUNLBW-IEBWSBKVSA-N 438.532 1.927 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)C1CC1 1708531500 DABLHQPMQZJFCS-CVEARBPZSA-N 437.552 1.695 30 10 IDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1708780744 GVKNFIJIRBEQKZ-LJQANCHMSA-N 425.537 1.452 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@@H](C)C2)CCO1 1711362742 FEGOFYDQYNMGEZ-XLIONFOSSA-N 437.548 1.500 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1712294854 QLYHYIZKMVOUGL-AXPPELJESA-N 430.509 1.312 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1712454313 LQAGJGSPTZCMSH-OAHLLOKOSA-N 438.941 1.643 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1712884098 GMELGYOSPZQGSK-FUHWJXTLSA-N 433.509 1.562 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722365019 BRSIZQMPWZBUSQ-LJQANCHMSA-N 441.557 1.521 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1722368484 SJHAKIPBBYBKFO-CXUOOODFSA-N 436.578 1.614 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722435955 XXFQZZVQJDWXIA-KRWDZBQOSA-N 431.537 1.664 30 10 IDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1722438400 QQZVKRDNBLCSJK-UHFFFAOYSA-N 441.561 1.121 30 10 IDEE C=C(C)Cn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722553555 SHOJJSNUMNILPQ-LJQANCHMSA-N 427.571 1.272 30 10 IDEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722600013 JMCOXZBAIHDYBU-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722607824 KOGGFLRZBSPFLV-HNNXBMFYSA-N 427.513 1.012 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1722615082 ZGUJZQDEBHNGJB-OAHLLOKOSA-N 431.566 1.906 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1722701821 FUKFUTGWFNTYQE-CVEARBPZSA-N 444.561 1.577 30 10 IDEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722853039 NBCFCFJXSBAUKH-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1723778712 ICSIQKBQNJHGIX-WMZOPIPTSA-N 448.549 1.428 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3CC(F)(F)F)CC2)c1C#N 1725865699 BAEGNVDAWJQWEQ-AWEZNQCLSA-N 438.458 1.975 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@@H]1O 1731139628 AUNRTZSUGHYGMT-UZLBHIALSA-N 436.520 1.697 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(N)=O)cc2)C1 1731177942 ABBMRBSMHUMKBP-FQEVSTJZSA-N 426.456 1.495 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1740550249 IGJJCDPQIAZBTJ-VQIMIIECSA-N 443.573 1.583 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740553468 SQMGBQDJFQCIRR-RCCFBDPRSA-N 441.557 1.691 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1740558294 RPPBDWINPFYJRM-IBGZPJMESA-N 436.560 1.739 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740589691 AFWMVRURYZTPKB-QGZVFWFLSA-N 445.593 1.735 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1740657406 RRHMZNOUZKHVFG-IBGZPJMESA-N 445.520 1.261 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C(=O)NC 1740714016 OXZJRVIARQRXFO-OAHLLOKOSA-N 429.546 1.901 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCC(=O)NC 1740757575 PQHOJYANOOUICS-FOIQADDNSA-N 444.536 1.949 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740950346 HCRCPKCPPKIXAM-JKSUJKDBSA-N 447.540 1.329 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740957281 ISQGMGKABVYONG-UHFFFAOYSA-N 427.509 1.557 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1748638521 QKYVQTDSRBYWMV-MRXNPFEDSA-N 438.513 1.857 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749097710 HUZLZQXXCWEWRC-CYBMUJFWSA-N 446.371 1.541 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749427876 VXZJUFXQCWDHCA-DLBZAZTESA-N 441.598 1.829 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)C1 1749709219 OUDCOVYOYFPQBQ-GFCCVEGCSA-N 438.435 1.168 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749730685 MYELJIHBTJSWFJ-HNNXBMFYSA-N 441.579 1.278 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1749830212 GLHYEPJIBOHZJO-SJORKVTESA-N 447.565 1.006 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1750197711 OWNCIPMHBFXVBR-KRWDZBQOSA-N 435.575 1.556 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)(F)F)CCN1C1CC1 1750386075 GRTQLCNOYDHDIQ-KBPBESRZSA-N 427.431 1.332 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)Cc2ccccc2C1 1750948127 FWLNAUDAZICEKT-JOCHJYFZSA-N 439.539 1.957 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1760155398 XIZCOVVPAFWWKM-KRWDZBQOSA-N 437.566 1.031 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760187090 HRQJKBSONKPXSI-VAMGGRTRSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760216828 DDLNPNFIZGFVHF-UHFFFAOYSA-N 446.515 1.453 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Cl)ccc2OC)CC1 1760251901 KXBJMGAQDGCSHX-UHFFFAOYSA-N 442.951 1.980 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760287628 ZFNBAVVDWUMVTP-MISYRCLQSA-N 446.621 1.485 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1760300294 DECXCXHVOPYIFG-WFASDCNBSA-N 436.376 1.802 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1760483343 MWPXYADEHREWAF-AWEZNQCLSA-N 438.529 1.308 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1760515580 DZYSDKQQNQRZEV-AZUAARDMSA-N 426.565 1.949 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2-n2cccn2)C1 1760533599 JDHCPKTWLUJZPW-SFHVURJKSA-N 436.520 1.827 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)CCOC1 1761287904 XUULDNBFRCJJBE-QFIPXVFZSA-N 446.552 1.308 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2(O)CC2)c1 1768525155 YLWVITFJSKXCSW-FQEVSTJZSA-N 444.561 1.850 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1768980851 PMVWVIQHWFBBAJ-YCRPNKLZSA-N 426.477 1.073 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1769094365 FTCVCLFISLRSMO-SFHVURJKSA-N 426.521 1.831 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1769357587 QUMYNNRONRSGJK-UHFFFAOYSA-N 427.509 1.353 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC 1770296529 HJVRTMCOSBIQHW-RYQLBKOJSA-N 431.518 1.101 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)ON1C(=O)c2ccccc2C1=O 1772793510 ZVAHASPOHNLBPJ-UHFFFAOYSA-N 428.466 1.988 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCC#CCN2CCOCC2)c1 1850069789 FJDMDIPSYNEIHJ-HXUWFJFHSA-N 435.590 1.448 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)CN(C)c3nc4c(F)cccc4s3)C(=O)C2)C1 1853697449 AWLFHJZRMNMPQT-OAHLLOKOSA-N 431.537 1.803 30 10 IDEE CN(C)CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651598 ZRIYWOAAFKKMTC-UHFFFAOYSA-N 429.502 1.038 30 10 IDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CSc1ncccn1 1870290858 IQGCBBQDZSIMTQ-UHFFFAOYSA-N 431.562 1.953 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccccc3Cl)CC2)cc1=O 1870563474 CKKSSSSKPGOEDE-UHFFFAOYSA-N 442.947 1.972 30 10 IDEE Cc1ccc(-n2nccn2)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889536134 SIZOPRZKUPWKLU-UHFFFAOYSA-N 436.560 1.448 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 1985011517 OLFVZBIWLNSDCG-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE CC(C)(C#CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)NC(=O)OC(C)(C)C 1993925011 ZVEOMXASGCKIPY-LSDHHAIUSA-N 425.526 1.780 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2248406583 ZZLBNGOJHLYIKX-AWEZNQCLSA-N 440.371 1.891 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255540776 RRKKCDLZNJCQII-UHFFFAOYSA-N 426.326 1.416 30 10 IDEE Cn1ncc(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255543084 BZLXMBYTFDXRMF-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CN(CCOCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255595002 GMXFAXZVZMWEIF-UHFFFAOYSA-N 438.334 1.322 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255627519 UKQPWZSAKUUFBP-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255644210 GTERKVDOFXCBDK-LRTDBIEQSA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2255681689 VUQPZAQVHPZSIQ-IRXDYDNUSA-N 432.326 1.696 30 10 IDEE CC[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255750993 SMNULLABOCBELS-QGZVFWFLSA-N 449.382 1.681 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2256055760 CVKRXOJHLKQTCT-LRTDBIEQSA-N 430.314 1.515 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267187552 ZQBUNPYBWROHAM-ZBFHGGJFSA-N 446.357 1.801 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)n1 2267503075 XNRMAMOOHNJHPE-RBUKOAKNSA-N 441.337 1.823 30 10 IDEE Cn1cc(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267505564 KEIFSQPSNGPAEW-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 2267602700 QHEVAMDUDGKBSD-IAGOWNOFSA-N 442.325 1.218 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880298 ABOBRURWMPQUSX-FPTDNZKUSA-N 444.341 1.905 30 10 IDEE C=CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 2296252617 QNESWHQXLWIGAQ-UHFFFAOYSA-N 429.571 1.704 30 10 IDEE CN1C(=O)N(C)[C@@]2(O)C(=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc3[C@@]12O 2297707622 FBLGRDBPYWFAER-ZWKOTPCHSA-N 428.361 1.164 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2334263952 WHVPLZQAWQKTCS-IIAWOOMASA-N 446.357 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334272614 AOFMSYMBISDZLB-MGPQQGTHSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H](CC(N)=O)C1 2343291706 AYJFWXPRPHVWHB-INIZCTEOSA-N 446.357 1.682 30 10 IDEE CCOC(=O)c1c(C)oc(NC(=O)[C@H](CC)n2c(N)nnc2SCC#N)c1C(N)=O 40173534 VPTWQYLRNOUQLU-VIFPVBQESA-N 435.466 1.243 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@@H]3CCCN(CCO)C3)nc2)OC1(C)C 204882636 PRKLDOHEVNZDAD-INIZCTEOSA-N 439.387 1.034 30 10 IDEE COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)ncn1 460898744 KMNIRTPERZWSNF-UHFFFAOYSA-N 427.408 1.887 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CC(=O)N1CCCC1)C[C@@H]1CCCO1 464801140 ZNDPNUPGMKDVPD-FQEVSTJZSA-N 436.516 1.786 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)CSCC(=O)Nc3ccc(F)cc3)CC2)c1C#N 471675710 HNWQNFUXQSQCEC-UHFFFAOYSA-N 430.509 1.760 30 10 IDEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 477006313 YVKTZOIVRADSCZ-UHFFFAOYSA-N 433.555 1.641 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C2CC2)c1=O 478862914 XLPQVUWWJRCRAW-HNNXBMFYSA-N 439.493 1.960 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC3CCN(c4ccccc4)CC3)C2=O)cc1 479787472 VIAGVSMSIFUKJM-JOCHJYFZSA-N 445.523 1.561 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCN2CCOCC2)c1=O 480941387 XNPFRUIXWDUMLX-UHFFFAOYSA-N 447.582 1.040 30 10 IDEE CCOC(=O)c1c(NC(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 481475830 DJYAADVCLSONOR-ZDUSSCGKSA-N 426.495 1.081 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 486019211 VMEYUXOTSHFBGK-GFCCVEGCSA-N 428.513 1.577 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1C1CCOCC1 499201700 LOQXMVRIBNAOGU-UHFFFAOYSA-N 443.529 1.561 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 507077639 HUTKSGZRVZZLSU-QGZVFWFLSA-N 427.501 1.318 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 508708192 ZZFCUERFXKZBGJ-SJORKVTESA-N 444.561 1.925 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)nc3c2cnn3Cc2cccs2)CC1 512717673 BMMFDJBDSVPVAG-UHFFFAOYSA-N 438.557 1.910 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 527030938 ZUECUWKDEBTITC-UHFFFAOYSA-N 439.585 1.826 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 544888882 QWMYNCKIVNBISO-UHFFFAOYSA-N 433.921 1.912 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 548951603 XLJXINPKRPUFJN-WIYYLYMNSA-N 447.561 1.549 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3F)CCNC4=O)C2=O)cc1 551695029 CSMKMHQIATWQCG-KRWDZBQOSA-N 435.415 1.827 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 555264816 XQRJYAAPILONAC-MSOLQXFVSA-N 433.582 1.881 30 10 IDEE N#CC1(CS(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCCC1 577429986 HDQSBARWKGFQAU-UHFFFAOYSA-N 441.575 1.352 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n([C@@H]2CCOc3ccccc32)c1=O 607947687 TZOMYPCEVMBWAP-LJQANCHMSA-N 446.532 1.887 30 10 IDEE C=CCN(C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)c1nc(C(=O)OCC)cs1 609968847 LYZWNWBKWPEZMJ-UHFFFAOYSA-N 443.485 1.407 30 10 IDEE CC(C)C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 619104072 ITTUEFRLSWSQRY-ZCNNSNEGSA-N 435.528 1.968 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 619510238 JNRPZEVBERUGSL-UHFFFAOYSA-N 434.544 1.224 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc5nc[nH]c5c4)CC3)cc2C1=O 619744864 QYNTUSFWNUOPFU-UHFFFAOYSA-N 443.463 1.943 30 10 IDEE C#CCN(Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 731213538 FZQJLQAJELJJGP-LBPRGKRZSA-N 433.843 1.957 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n([C@@H](C)c3ccccc3)c2=O)cn1 735068938 MNAAHNKXTNEMJW-INIZCTEOSA-N 447.564 1.907 30 10 IDEE Cc1cccc(NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1C 742175138 MMVXMOMUBYBNOZ-UHFFFAOYSA-N 427.530 1.583 30 10 IDEE COc1cc(OC)cc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 742177200 ZZSDKSSQEJAXPS-UHFFFAOYSA-N 430.486 1.185 30 10 IDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(Cl)c(F)c1 755206885 AYIGIICJKUTVTD-SZFNYVLUSA-N 434.855 1.784 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC(C)(C)O)C1=O 774285168 SJLMFZHNPWSCGB-KRWDZBQOSA-N 431.562 1.719 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)C1=O 787746597 ARJFYZCXADHIIH-SZNDQCEHSA-N 442.472 1.265 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)n1 788810512 VKIJTNDQSOGHHO-QFIPXVFZSA-N 429.521 1.382 30 10 IDEE CC[C@H](NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 795801677 BSOCLUZKMFRUJY-YWMAMYRUSA-N 426.926 1.815 30 10 IDEE C=CCOCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 797284689 ZVIZMGVVSAWRRX-UHFFFAOYSA-N 434.308 1.829 30 10 IDEE COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 797532883 SQRKDKHMDRCXHR-LLVKDONJSA-N 425.272 1.917 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCCO2)n1 812442240 WBEPBZUAPVLPKG-PMACEKPBSA-N 444.536 1.418 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 915873275 CJMCSWRWDGJJRO-LIKLMLJFSA-N 436.559 1.892 30 10 IDEE CCOc1ccccc1N1C[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1=O 916178883 SKQDJTXZYLQCQF-KRWDZBQOSA-N 427.482 1.956 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 1137048487 UZCJFIFPFPWXLZ-INIZCTEOSA-N 430.977 1.939 30 10 IDEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCN(O)C1=O 1141463469 MXQZVHQKRQGOIZ-DZGCQCFKSA-N 447.351 1.539 30 10 IDEE CN1CCC(C#N)(NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1144004323 XKTGNPCAWYGUGB-MRXNPFEDSA-N 431.541 1.958 30 10 IDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1155873451 NJXPSILLJUEGDC-UHFFFAOYSA-N 449.573 1.318 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 1157347608 VDXDUNOPXQLHAS-AEFFLSMTSA-N 426.560 1.321 30 10 IDEE Cc1nn(C)c(N2CCN(Cc3c(I)cnn3C)CC2)c1C#N 1169382723 LZSINRSTCDHYAD-UHFFFAOYSA-N 425.278 1.261 30 10 IDEE C=CCN1CCC(NC(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)CC1 1204555105 GCYDYVVGTYFYIU-UHFFFAOYSA-N 426.539 1.392 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)C[C@H](C)O1 1219066808 CSGVKWWRNKSCOK-QWRGUYRKSA-N 448.958 1.172 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286377404 XBZWAOLBJFJNRY-IEBWSBKVSA-N 428.562 1.538 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1286390282 ZYAALAWEMYAOQS-ROUUACIJSA-N 447.561 1.486 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286453411 SIBPVLPDLJVSPK-KRWDZBQOSA-N 447.561 1.607 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CCN(C(C)C)CC2)CC1 1286474269 BJHULPOPPJRXSZ-UHFFFAOYSA-N 426.565 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cnn(CCOC)c2)CC1 1286495017 XELSHRYIYPFAQU-UHFFFAOYSA-N 441.580 1.724 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1286548081 LUCXPDKETRORKA-HKUYNNGSSA-N 430.553 1.587 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286568443 WQXLGGMBICBQMM-QFBILLFUSA-N 441.598 1.704 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286618764 HJBWOPGWTIFUKX-KRWDZBQOSA-N 433.944 1.985 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286788307 ULQZPTXAUYDLQZ-IAGOWNOFSA-N 448.568 1.968 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286791577 WMNWXDNDWUQUOH-MRXNPFEDSA-N 436.557 1.509 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN4CCSC[C@@H]34)CC2)cc1 1288801073 LUCNYVGUPLMSOQ-PMACEKPBSA-N 448.614 1.655 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1295174753 QWAQYLZVZNZORC-GHTZIAJQSA-N 445.545 1.636 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1296307332 FOCHSDHMYHMEAF-UHFFFAOYSA-N 433.463 1.950 30 10 IDEE COC1(C(F)(F)Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1299737572 XUWKYTWHVFCPRN-INIZCTEOSA-N 434.447 1.900 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1300340119 VAROYWNISONZHB-HZPDHXFCSA-N 440.570 1.407 30 10 IDEE C#CCN(c1nnc(CC)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300498528 LGBGZOVYFBEQKU-OAHLLOKOSA-N 425.555 1.382 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([S@](C)=O)CC2)CC1 1300709932 LRQZXYHDCDQYPA-HKBQPEDESA-N 443.573 1.532 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCOC1 1300876656 UWRNSBQMJHXDKU-HZMVEIRTSA-N 427.571 1.342 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301170032 MCKXPQSDIAUAET-UHFFFAOYSA-N 444.580 1.946 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1)C1CC1 1301326632 DLHBVKXXTXRDHF-KRWDZBQOSA-N 436.513 1.348 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1301593302 LQFAMHMOXPHHBD-IEBWSBKVSA-N 437.610 1.869 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)COCCO1 1301809084 KCHHUGKPXGVHFK-UGKGYDQZSA-N 443.504 1.963 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1301972184 SGLNINFOOGUUGG-JKSUJKDBSA-N 439.511 1.352 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1(O)CCOCC1 1302680270 CNTURJSSZAAJTO-UHFFFAOYSA-N 425.537 1.926 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1 1303471261 DEMFXXAIYHDLSF-UHFFFAOYSA-N 440.533 1.571 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1307872049 KDRSAFLSRIKYEM-IBGZPJMESA-N 429.586 1.744 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1313951605 ACASIABBPYUZBF-SLFFLAALSA-N 431.585 1.174 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1cnn(C)c1 1314393390 IOISZZXLNJIHSH-UHFFFAOYSA-N 435.536 1.774 30 10 IDEE CCS(=O)(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C#N 1314558555 DQROVIQBHKXQAU-BZUAXINKSA-N 426.587 1.732 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1314683793 VNWMXHAQCMECMF-JKSUJKDBSA-N 437.472 1.864 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1316538025 GLLCHVXBQBCTEW-BBWFWOEESA-N 440.495 1.257 30 10 IDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)C1 1320904234 GBEZBIYTNHNCRR-GFCCVEGCSA-N 426.463 1.625 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1358873312 HIPFPYQPEAVFGD-SXWKCWPCSA-N 432.613 1.662 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NCC 1358878062 PGKGSVQXNHNOPB-HNNXBMFYSA-N 431.562 1.969 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1358965957 FJIXFMPUUASMJT-OXJNMPFZSA-N 428.558 1.959 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1358984864 IYBXPPBVYAAVLK-INIZCTEOSA-N 427.530 1.430 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@@H]1C 1359007197 ZJXBFIHIQLJUMB-KRWDZBQOSA-N 445.593 1.418 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](COC)OC)CC1 1359028485 UKJONDLAXXNOHP-FQEVSTJZSA-N 440.548 1.564 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2snnc2C)CC1 1359033239 UVNNZHNOEZHEAJ-UHFFFAOYSA-N 439.545 1.926 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C)c2)CC1 1359035718 CDDRWMBTJASOEJ-LJQANCHMSA-N 443.573 1.323 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359086586 BTOZKSDIBMUZLP-KBXCAEBGSA-N 440.342 1.693 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1 1359089958 SCBMWXMDVMDIDT-SQNIBIBYSA-N 430.553 1.458 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@H]21 1359133190 MVTMZZXHCMTWRQ-KURKYZTESA-N 439.582 1.583 30 10 IDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359136653 QRSXMEXSMFNYBG-SFHVURJKSA-N 433.484 1.540 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359301776 KRGCBXLATYSYKN-KRWDZBQOSA-N 428.512 1.615 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359305028 QYEONYOEGLPMRS-PKOBYXMFSA-N 429.521 1.708 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1441762006 CNBIBMNGHCPPJW-SFHVURJKSA-N 449.916 1.058 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](CNS(C)(=O)=O)C3)C2)C1 1455497606 VRVLNFWNEKAZSA-OXJONJSCSA-N 440.566 1.171 30 10 IDEE C=CC[C@@H]1CCN1C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1456852595 KTQKYWRLBZLWKN-GDBMZVCRSA-N 434.967 1.599 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(F)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1458002578 MWYQZQZUDYNZTP-UHFFFAOYSA-N 435.433 1.008 30 10 IDEE N#C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(OCc2ccccc2)cc1 1464770014 CJHZOVXTXDPYJQ-QUCCMNQESA-N 428.514 1.862 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OC 1468872955 MDRZEMADJKKVMZ-ZFWWWQNUSA-N 428.894 1.092 30 10 IDEE N#Cc1ccccc1OCC(=O)N1CCC[C@@H](n2nncc2I)C1 1471494346 KBGJJSGCRYDFIF-CYBMUJFWSA-N 437.241 1.997 30 10 IDEE CCO/C=C/[C@](O)(CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)(F)F 1478404038 OVVBINPHFQQFNI-QDCXKDCCSA-N 436.431 1.888 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCC3(C#N)CCC3)CC2)cc1 1478842056 PSUDQCLYBOSLEW-UHFFFAOYSA-N 435.550 1.140 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cs1 1492681608 BSUUGJZUZPTUNJ-MRXNPFEDSA-N 436.563 1.187 30 10 IDEE CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1500311786 FKYVKQHAKQYYLB-MRXNPFEDSA-N 446.581 1.672 30 10 IDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1503407934 KKYCNRLYSMEJJK-OTWHNJEPSA-N 444.561 1.417 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1505136091 AUAUDPZGPRCQAS-UHFFFAOYSA-N 441.492 1.481 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507580023 PNJQCVVVTVCIEB-KRWDZBQOSA-N 426.498 1.714 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1507639596 ZXGZTWYBOLCBGM-UHFFFAOYSA-N 433.516 1.729 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](COC)C1 1507774757 BNEPQRRWLLQDEA-CQSZACIVSA-N 430.347 1.957 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(F)c2)CC1 1507884188 FUWBKLIKBNBCJI-GOSISDBHSA-N 435.525 1.955 30 10 IDEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1507961101 YBOXATSWBLQIDN-UHFFFAOYSA-N 435.550 1.628 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nccs2)C1 1508137933 TZGQBQRDSFTSHE-OAHLLOKOSA-N 434.547 1.908 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCC(=O)N1 1508149190 PXPBFKIPBIYXJM-QWHCGFSZSA-N 441.464 1.350 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508399651 FKVFKZHOCZSNGX-LJQANCHMSA-N 439.520 1.360 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N(C)C1CC1 1509656996 NAANUGXKMNDJNK-AWEZNQCLSA-N 438.536 1.434 30 10 IDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 1515188154 SVWZEVUXPFLWSI-UHFFFAOYSA-N 433.486 1.019 30 10 IDEE CCN1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1515919437 WLJJLZMKPAHOEF-YGCDDZCOSA-N 438.536 1.340 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)C(=O)NC 1516585456 DUTILJBWECFWJL-UHFFFAOYSA-N 426.525 1.180 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1519273829 BEIWENWYKJAFRA-LLGFUMIMSA-N 447.515 1.845 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(OC)c1 1538970602 CVPIZZPWEBJFJW-HRCADAONSA-N 435.550 1.822 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1539219903 OHXGGASHHQTZES-VGOFRKELSA-N 447.605 1.504 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539225631 PWFVSIHGJSMQMJ-HOJAQTOUSA-N 443.573 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cc(F)cc(F)c2)CC1 1539447889 YODLCQMOBUIMMI-QGZVFWFLSA-N 449.527 1.456 30 10 IDEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539805825 SPKLMDZDNUFGJE-UHFFFAOYSA-N 446.914 1.688 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCCC2)C1 1540862192 UXXIXVFBICKMJB-QGZVFWFLSA-N 438.536 1.292 30 10 IDEE COC(=O)[C@H](Cc1cc2ccccc2o1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1560131837 LNTGVQSIQBDJBY-VQTJNVASSA-N 426.517 1.799 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]21 1564416706 ASNQEHZSZQRVJO-VQHPVUNQSA-N 427.567 1.874 30 10 IDEE C=CCC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(=O)OCC 1569186384 APPIPVNQODGNBK-OAHLLOKOSA-N 444.575 1.769 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(Cn2ccccc2=O)cc1)c1cc[nH]n1 1583412989 NFPPARDAGZRADD-UHFFFAOYSA-N 437.456 1.220 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1=O 1586116037 SIHKJJZMIJZZLX-QWHCGFSZSA-N 431.967 1.800 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(SCC)c1 1587989787 PGLHGMCIWPZMAT-GOSISDBHSA-N 449.602 1.841 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588045499 LYERAOPOAZWYCE-IAGOWNOFSA-N 431.562 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1C1CC1 1588180126 BLGULYWSDBPZII-MJGOQNOKSA-N 432.594 1.368 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588228387 FFJYQARYPUOENY-QZTJIDSGSA-N 439.482 1.898 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(C)COCCO2)CC1 1588955227 RYIDABLREFQAQN-QFIPXVFZSA-N 443.573 1.702 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](C(N)=O)C1 1589036347 DDXDSJMYRRHHFA-MRXNPFEDSA-N 427.530 1.784 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1589116709 LGIKCGMFZYYKMM-MRXNPFEDSA-N 429.546 1.899 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCOCC1 1595777559 PXSOHHUCRXKAJT-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(c4ncccn4)CCC3)CC2)cc1 1598163744 BCUVKKBBXRGEEB-UHFFFAOYSA-N 425.514 1.945 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1610444729 CZANATXPDKVIMA-RTWAWAEBSA-N 446.483 1.670 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CCO2)cc1 1611500183 NRDFYAPJAKLMOS-NRFANRHFSA-N 441.509 1.793 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCN1CCCC1 1611664510 GHKIYVFNBZARCJ-KRWDZBQOSA-N 445.593 1.882 30 10 IDEE C[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1612798846 YHNYBXGYTFKJIG-CVTQAYBASA-N 427.509 1.163 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1618029813 HUJQZDSFFACTFF-UHFFFAOYSA-N 447.557 1.026 30 10 IDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)C 1618976449 BLDRIFUJPCNBBX-UXHICEINSA-N 426.521 1.829 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1cn2ccc(C)cc2n1 1619913349 AIGNDQDNWBLYHZ-UHFFFAOYSA-N 436.520 1.771 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1620086700 XJBJKYQZRYTIQH-OALUTQOASA-N 447.561 1.945 30 10 IDEE CCOC(=O)CC1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1623325619 MQVMOBCZRNWPLO-KRWDZBQOSA-N 442.472 1.382 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1628082195 ITGPFPVZKGRPSQ-CQSZACIVSA-N 437.509 1.674 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1 1628681549 WVPSRMVQRHWOTQ-KRWDZBQOSA-N 440.587 1.890 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@@]3(C#N)CCCOC3)cc2)CC1 1632260053 QYWPAVOYUWICFS-HSZRJFAPSA-N 428.533 1.209 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)sc2ccc(C#N)cc12 1635444491 CMBPJYOBQGYNOA-UHFFFAOYSA-N 440.572 1.812 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1637388988 AFBAPMUOGHRKGU-TWMKSMIVSA-N 436.509 1.249 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 1637675055 KITVCJZOQJAFGL-PIIMJCKOSA-N 433.530 1.535 30 10 IDEE C=CCC1(O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1638655924 FIJQNKCWCZIIKI-MRXNPFEDSA-N 434.514 1.553 30 10 IDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1641522134 WUQMCWQDRNSNSO-QGZVFWFLSA-N 447.513 1.939 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)CCOC1 1647809154 GDBXLKBMWPUNMO-HTAPYJJXSA-N 432.496 1.411 30 10 IDEE COc1ccc([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCO2)cc1OC 1655890712 JJQSTRZJINTPKJ-KNQAVFIVSA-N 430.549 1.769 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)C1 1656884235 UNPJKCVLBPJFJO-OAHLLOKOSA-N 448.010 1.746 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Br)ccc(OC)c1F 1661544339 KDOIYRNXMJOOKJ-SNVBAGLBSA-N 442.328 1.961 30 10 IDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1680492281 DPUVBQCUDHRBRH-JXFKEZNVSA-N 430.530 1.990 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1685121219 YZPMUPOZRHZGIO-UHFFFAOYSA-N 427.530 1.821 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1689985930 FLTOWQGFCBANFR-INIZCTEOSA-N 433.509 1.237 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(C)C 1690000169 ULQZDZGAVLLTTJ-QGZVFWFLSA-N 429.546 1.797 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690056397 QWZQYGHSZBJHKL-OAQYLSRUSA-N 436.560 1.589 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C3OCCO3)c2)CC1 1690110509 PDFJRLJYCPUFKN-UHFFFAOYSA-N 438.532 1.265 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1690432839 MVDIMTAXROEXDU-IAGOWNOFSA-N 441.598 1.829 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1690621930 DBUPRPNDZBTWBQ-IBGZPJMESA-N 449.577 1.607 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1690642491 SGEIBTFNAHTXSM-IBGZPJMESA-N 426.521 1.755 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690662658 CAXDYPYPZPTNGK-YCRPNKLZSA-N 442.476 1.540 30 10 IDEE CC(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1692557097 LUGZKWJMDBNROD-GOSISDBHSA-N 438.536 1.638 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1692558551 GGDUXTRTFBWVGM-FQEVSTJZSA-N 437.548 1.642 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1694795020 RYTPTCGPCFSLTC-SJORKVTESA-N 446.458 1.868 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)N(C)C)c2ccccc2c1=O 1695899381 CQVXNXTVXZXUOU-OAHLLOKOSA-N 436.520 1.892 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)CCOC1 1696085895 FWEQCIIRRKXCOS-IRPHDMRXSA-N 425.555 1.206 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1697926026 FYQVQEIIBZWQMB-QHCPKHFHSA-N 448.531 1.721 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(CCOC)c1 1705575651 RRDLCUOFPGJKQU-UHFFFAOYSA-N 442.321 2.000 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1705605473 LYKMKYKOWXGAJC-OEAGWNGGSA-N 442.520 1.305 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1705614641 PJPLYNQKKAVYHX-KRWDZBQOSA-N 448.568 1.818 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)OCCc3sccc32)CC1 1705632243 KJCWQVGQPGITQU-JOCHJYFZSA-N 442.589 1.721 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1705666314 BIVHWNZFCNDFMF-IPHXSNPTSA-N 449.552 1.927 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1705734823 ZCBWEWKZTPXWMW-UHFFFAOYSA-N 426.525 1.712 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1705826289 AEOCXNBRKHOTCO-UHFFFAOYSA-N 435.550 1.625 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(Cl)s1 1705897330 KLZNESNMZUAZIP-LLVKDONJSA-N 446.986 1.542 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(Cn2cncn2)CC1 1705932684 YARUZBDQNVNZIG-UHFFFAOYSA-N 430.538 1.382 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(F)(F)CC2)nnc1[C@@]1(OCC)CCOC1 1705939162 SQTOFNKCMBMKCV-QGZVFWFLSA-N 434.509 1.767 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1706062672 BDNOMTYASKRAIH-UHFFFAOYSA-N 439.520 1.360 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)C1 1706935246 ODFQRWLNFZHQOM-NPPFBWRTSA-N 429.569 1.596 30 10 IDEE CCN(CC)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1709994232 HPBGENKVIJTIAS-OAHLLOKOSA-N 443.508 1.383 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1710824626 SISCPVGRGZMHQR-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(CO)nn2)C1 1712875262 AZTNUVHCRHUOCV-HXUWFJFHSA-N 428.447 1.624 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@H]2CCOC2)CCO1 1712886052 HBQUZUOBYMOLPV-HOTGVXAUSA-N 446.533 1.194 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1722283781 JPXQSQDKCKUBMO-LHSJRXKWSA-N 428.924 1.798 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1722362615 VFOBZCVJHDFADP-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1722371996 NREWLTDQCZVHJX-SFHVURJKSA-N 434.566 1.191 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1722383342 HDTLDJQXUSWBAS-SIKLNZKXSA-N 435.528 1.710 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1722386921 BFUMSASJKKCGEV-GOSISDBHSA-N 428.500 1.847 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1722398071 WRIUXIZYAYXAAJ-GOSISDBHSA-N 431.562 1.264 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1722400361 OECBYFSMXQOZDH-FQEVSTJZSA-N 434.544 1.915 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2nccnc2C)CC1 1722444699 DQOZZNLNRYJZLE-UHFFFAOYSA-N 430.516 1.647 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722459819 RVKLPGIJCDFSJJ-GOSISDBHSA-N 427.578 1.964 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1722467451 SPDJAEGGEUGMGT-KNXBSLHKSA-N 443.573 1.714 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS[C@@H](C)C1 1722696539 BIYXXIDPAHWSTF-AWEZNQCLSA-N 439.545 1.436 30 10 IDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722742868 JRCLWPQHNYAXMM-GOSISDBHSA-N 442.545 1.599 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1722869760 RDHXDCNQIYPLEX-JKSUJKDBSA-N 425.555 1.362 30 10 IDEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1 1723815875 BUPKOFYNECYHJQ-INMHGKMJSA-N 434.522 1.085 30 10 IDEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)c1 1724987720 CMZVEDFJPROQFK-UHFFFAOYSA-N 425.518 1.503 30 10 IDEE CCCNC(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1728183771 HYFCHAIACIASJA-GOSISDBHSA-N 439.520 1.792 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1730414933 QHMHAGZKAAJZTL-SPYBWZPUSA-N 433.459 1.927 30 10 IDEE COCCOCCCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730920224 XOQHPLHOISFSAP-KRWDZBQOSA-N 440.552 1.975 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740628667 SHUHBWWXBXENDW-HSALFYBXSA-N 449.621 1.877 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)CC)CC1 1740700831 JTHVTUZQQPNDEV-QZTJIDSGSA-N 437.610 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nccn2C(F)F)CC1 1740705938 OKGAVSDGSNZIMI-INIZCTEOSA-N 447.490 1.778 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1740767063 PABDVZLAEWSNTQ-AWEZNQCLSA-N 430.575 1.815 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1740892542 IMBKDDOTMXEIGJ-HXUWFJFHSA-N 435.550 1.443 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740962559 HIWCJHAIGDBSEQ-OAHLLOKOSA-N 429.506 1.502 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1748745998 XFGUAOVPIGSCDF-UHFFFAOYSA-N 446.577 1.630 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccs2)N(C)C)CC1 1748971017 AHURDWDDQIILHN-QGZVFWFLSA-N 429.594 1.536 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1748971020 AKOSQUJREUSMRL-MRXNPFEDSA-N 433.557 1.085 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(CC)cc2)CC1 1748977171 DFHAXOQIQVCCSI-SFHVURJKSA-N 444.605 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC(C)C)N(C)C)CC1 1749001158 KHYBBTKAGVVGLL-LJQANCHMSA-N 445.612 1.358 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749363325 AQWOBUSMGQGIKF-SJORKVTESA-N 430.553 1.659 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1749663344 AYWASZHGHBNQRN-NRFANRHFSA-N 425.468 1.218 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1749676137 GECYAUKYWMLODV-UHFFFAOYSA-N 437.548 1.547 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2ccccc2C1 1750006565 HQZKXPSWGFBGNP-GHTZIAJQSA-N 440.548 1.789 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1750389922 RJIKVQCKUCWDND-QZTJIDSGSA-N 437.566 1.506 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1760117443 PARHQECJGZYRDK-QAPCUYQASA-N 429.546 1.436 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1760172980 FNEDZUBZPSNLFF-CQSZACIVSA-N 434.518 1.475 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1760189978 MVGZXEQPOWDAQU-FQEVSTJZSA-N 433.622 1.979 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1760191214 CYQYCFWXEVTMFY-RBUKOAKNSA-N 448.593 1.582 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1760194165 CMYLJRZPMIYNIC-HNNXBMFYSA-N 433.509 1.352 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1760205449 BLVPSTSCAORZEK-GOSISDBHSA-N 441.557 1.874 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1760217903 QPERBOXFOBKCSF-JOCHJYFZSA-N 446.555 1.573 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(C)(C)C)nc2)CC1 1760259712 GFANOABRVNORDW-SFHVURJKSA-N 437.548 1.605 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760355315 FMINNUFKBZVKOX-HZPDHXFCSA-N 433.509 1.839 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760372338 GEERTGQREHJTOA-UHFFFAOYSA-N 432.960 1.868 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC[C@@H]3COCCO3)CC2)c1C#N 1762403468 VOHHDEAAMZRJSV-GOSISDBHSA-N 442.568 1.522 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1765633549 LCOJYDHDEWTINU-YLJYHZDGSA-N 437.548 1.500 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1766618674 JSLFDASADFHISJ-WIYYLYMNSA-N 440.548 1.922 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCCOC)CCOC1 1767472124 BVYJHULRQMHSIO-QFIPXVFZSA-N 441.536 1.560 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1767827362 CRCHLRAANHHAEF-MRXNPFEDSA-N 431.447 1.702 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1768140255 PSKQWDWUIXZXSK-SFHVURJKSA-N 439.564 1.890 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768794743 IDLAMLWUQWULMO-YGCDDZCOSA-N 437.504 1.729 30 10 IDEE COCC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1769145497 KTFMARWCQYXWNB-UHFFFAOYSA-N 438.463 1.816 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@@H]1C 1769478154 RDRBFIDWIMGQQA-HNNXBMFYSA-N 437.504 1.620 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1770010933 CCKOZJWANMMZRH-MEFWESNSSA-N 444.536 1.907 30 10 IDEE COc1ccc(OCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1770294867 WBZZJCCRIVXXDO-LJQANCHMSA-N 440.504 1.607 30 10 IDEE CC(=O)Nc1ccn2ncc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2c1 1852760367 QJUAKTCCNKRHPV-UHFFFAOYSA-N 433.472 1.538 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCCN2CCN(C)CC2)c2ccc(C)n2C)c(C)c1 1853417905 QOVOTJCGZDQBPR-UHFFFAOYSA-N 447.605 1.854 30 10 IDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)ccn1 1853851351 MMIAHCLOJJETQY-IBGZPJMESA-N 430.530 1.516 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2F)C(=O)C12CCCCC2 1854401260 MWLCNWCEOHFNTN-UHFFFAOYSA-N 429.420 1.945 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1 1854660201 RSCFUZGEEDNPMB-HNNXBMFYSA-N 427.482 1.558 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1COc2ccccc21 1855960530 ZENYVOCJAVIGLG-KRWDZBQOSA-N 425.466 1.813 30 10 IDEE C[C@H](CC(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1ccnc1 1856305940 FGOMYSOQIRTIPI-IAGOWNOFSA-N 426.546 1.713 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCc4ccccc4O3)C2)CC1 1857056165 KSXYBBJGHPDNCE-MJGOQNOKSA-N 431.514 1.321 30 10 IDEE C=CCN(Cc1ccco1)C(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1858033393 PGUGXTVGQZZTCT-UHFFFAOYSA-N 447.513 1.245 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N2CCC[C@H]2C(=O)O)c(C(=O)OCC)c1C 1860760832 DZDNUEQBJCEQEQ-NSHDSACASA-N 438.458 1.590 30 10 IDEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)OCCOc4ccccc4)cnc32)cc1 1870104267 OYHGXXITSRHHJF-UHFFFAOYSA-N 430.424 1.530 30 10 IDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1F 1870107571 OPADSAJHHPSGHQ-UHFFFAOYSA-N 448.414 1.971 30 10 IDEE CCc1ccccc1OCC(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870158248 XWVAHIGJZPIWHM-UHFFFAOYSA-N 430.424 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H](CO)C1 2018270288 GNFRVSJBEQZROE-VFCRVFHLSA-N 438.525 1.624 30 10 IDEE 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C[C@@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267542489 SGJQVQXWFXRPQI-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267574639 YMSWINSFSPFMOL-HIFRSBDPSA-N 448.329 1.045 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267601411 VHJMVYUYODRGJE-DOTOQJQBSA-N 449.357 1.688 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267603334 ARQKNXAZQCILOX-PEBXRYMYSA-N 444.341 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)CC1(C)C 2267605243 UFOHCWZTELRSHP-KRWDZBQOSA-N 439.369 1.755 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](O)C1 2267606875 FDSVAEXUALGHGB-WMZOPIPTSA-N 446.353 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)C1 2267880187 QKACGRMSBZBGNU-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE COC(=O)c1c(C)oc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1C#N 170521436 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KTJSSBADALHWBC-HNNXBMFYSA-N 440.485 1.876 30 10 IDEE CN(C)CCn1cc(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1 611893155 XHUACSHQJRUWNV-UHFFFAOYSA-N 426.868 1.733 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 670232795 QBKFTDGNIDXMKC-GOSISDBHSA-N 446.577 1.876 30 10 IDEE N#C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCN1C1CC1 735584789 ZDLQXNNHWBKLEK-HXUWFJFHSA-N 431.562 1.363 30 10 IDEE C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 744545294 JJAURLOWJLLFRH-IUODEOHRSA-N 445.335 1.836 30 10 IDEE Cc1c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(Br)cc1S(N)(=O)=O 747388214 FRISAZCZPHPNJB-ZDUSSCGKSA-N 427.324 1.217 30 10 IDEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)ncn1 756868369 OIHJGACKWUYUJF-SFHVURJKSA-N 426.546 1.985 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(Br)c(F)c2)c1=O 758052067 AZTPIEIIWBIYKZ-UHFFFAOYSA-N 448.317 1.472 30 10 IDEE CN1C(=O)C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(Cl)c(F)c1 759063741 HCPBKBJWMXAANL-VLRCAFCGSA-N 434.855 1.641 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C[C@H]3CCCO3)c2=O)c1 763436059 SKULCKHAIXTHMB-GOSISDBHSA-N 437.496 1.952 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(C2CCC2)n1C 764353508 IZGGSUSBPUKSFI-MRXNPFEDSA-N 444.561 1.852 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)cn1 772302652 JQUQRHUMPLKVGP-UHFFFAOYSA-N 442.504 1.193 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)[C@@H](C#N)C1 779629033 JSTMKDOAALOWKZ-INIZCTEOSA-N 434.518 1.286 30 10 IDEE C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccco2)CC1 780180557 SRJLEMWVTTWIKH-IVZQSRNASA-N 447.488 1.757 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 782574154 QPUPYEPKDLNYRV-UHFFFAOYSA-N 425.388 1.953 30 10 IDEE COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 790194645 IKAFHFPFZXVKEY-CQSZACIVSA-N 426.926 1.411 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc(S(C)(=O)=O)c2)c1 791631252 ZXHDAKRQMRKUBR-UHFFFAOYSA-N 435.479 1.041 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)=NO1 798950441 QOUSZFJUTZLTKM-INIZCTEOSA-N 428.493 1.708 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCS(=O)(=O)CCc2ccccc2)CC1 800060952 QKANHASHPSVGGL-UHFFFAOYSA-N 427.530 1.442 30 10 IDEE Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 916376646 DUIRWAAFLVWQON-SFHVURJKSA-N 437.426 1.359 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)NCc1ccccc1 916886829 PALGCJUIFJDEGO-FQEVSTJZSA-N 441.509 1.655 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 917687787 DRYYUCWSJUTKMR-ZEKUBUJSSA-N 436.559 1.892 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 918986190 IVXQPBVUAMNTBZ-CQSZACIVSA-N 447.435 1.836 30 10 IDEE C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O 936070214 JOVLCJDINAUYJW-LRIWQSHXSA-N 442.530 1.609 30 10 IDEE in-vitro Cc1nn(Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)c(C)c1[N+](=O)[O-] 1134645880 YBEUQFIGQCIVJT-FXAWDEMLSA-N 443.485 1.467 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)OC)Oc3cc(F)ccc32)c1 1144510540 KKKCPXCVRGYHDY-GOSISDBHSA-N 434.445 1.871 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4nc(=N)n(C)[nH]4)CC3)ccc2c1=O 1155595096 SMAAXZBFNGNNPL-UHFFFAOYSA-N 425.518 1.432 30 10 IDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1166575803 AZZJLRCXDPMGQP-LJQANCHMSA-N 436.306 1.938 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1286299382 VJVUNNSLEIHWHT-HZPDHXFCSA-N 425.518 1.267 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1286325693 YNOZNGSXENZRIA-RTWAWAEBSA-N 436.560 1.888 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1286373375 FKIILFMWZHAICD-KRWDZBQOSA-N 430.553 1.988 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1286373483 GOCMGVPGYVWMRB-HNNXBMFYSA-N 440.570 1.011 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1286395264 MKDYCGVOKGFYBF-INIZCTEOSA-N 446.529 1.017 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1286398287 WYVPSNWNZJYOPH-QGZVFWFLSA-N 445.520 1.215 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1286447572 MCTSMQCQEJHITO-UHFFFAOYSA-N 439.564 1.843 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)CCOC)CC1 1286485632 RYVRBUDZWJEDML-DNVFCKCGSA-N 433.597 1.739 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(C)=O)C1 1286507595 KJNLGAYRBGXODD-SFHVURJKSA-N 437.573 1.988 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1286516012 AXOOLUQUYWSODJ-FZKQIMNGSA-N 437.595 1.673 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1286614851 CVWRBZYKXQTWFA-HZPDHXFCSA-N 432.550 1.269 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286786146 YPBPPZRHHSQZNT-QGZVFWFLSA-N 441.580 1.965 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1286788869 JAUOJWXGDNTJHQ-UHFFFAOYSA-N 428.493 1.068 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286967222 FMHGCAJHUBUCIT-UYAOXDASSA-N 438.580 1.802 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1287543199 GTHIYBZZWNLWHY-FCEWJHQRSA-N 425.555 1.096 30 10 IDEE N#C[C@@]12CN(C(=O)C3CCN(C(=O)/C=C\c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1289201343 MCIBZYPRSOULND-DPLTZYNFSA-N 427.526 1.335 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)NCCCC)C2)s1 1292430514 YJACEPPXLPNRDX-HNNXBMFYSA-N 427.592 1.910 30 10 IDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1298064866 BHWHFAXGJOJWPK-JTBPQFFMSA-N 431.514 1.214 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298787904 QJFFUWZPQFATDB-LTCJTPMSSA-N 430.509 1.661 30 10 IDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)OC 1299178059 CFXQEBLBJRUHBL-HXUWFJFHSA-N 426.494 1.728 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 1299483279 BIFQIOQIODUCSA-IBGZPJMESA-N 447.538 1.434 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1300304499 PAAKQUKIKWZGIC-MAUKXSAKSA-N 426.496 1.711 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300412129 YDGZAEVDDFPVGY-QGZVFWFLSA-N 448.549 1.226 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1300672983 DANQRDJUOQFSIZ-INIZCTEOSA-N 437.591 1.545 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCn2ccnc2C)CC1 1300685895 UOOJVERCPMOPLC-HSZRJFAPSA-N 441.580 1.671 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301141462 OACJORKOGRTEIF-GOSISDBHSA-N 433.516 1.566 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1301593614 QUNHBFQHLVGXNW-ZWKOTPCHSA-N 436.582 1.744 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1301613184 VMIKYCXVDUQMKX-HNNXBMFYSA-N 435.575 1.763 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(SC)c1 1302312012 UESLVQFGNXPIBX-BQFCYCMXSA-N 430.534 1.896 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1302488511 PSAKKOAKSHNKIG-OAHLLOKOSA-N 441.517 1.619 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1303900154 MWUFJIDWBNODGN-MSOLQXFVSA-N 428.537 1.907 30 10 IDEE CCOC(=O)c1c(NC(=O)c2cncc(N3CCCC3=O)c2)c(C#N)cn1CCOC 1350401461 XWQGEXJMISJMIQ-UHFFFAOYSA-N 425.445 1.957 30 10 IDEE CCS(=O)(=O)N(C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1350885904 XNIOFMITVFKOJS-JZJYNLBNSA-N 444.579 1.500 30 10 IDEE Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)c(=O)n1C 1351077252 VFJNPQXKGTXJOA-OQKWZONESA-N 434.522 1.122 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(S(C)(=O)=O)cc1 1358952403 KBEVURNWXTUEQO-UHFFFAOYSA-N 443.554 1.791 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1359007630 OYYVAZHSDPDETO-UHFFFAOYSA-N 445.483 1.561 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359135094 RKGZGPDCXQCMDE-GOSISDBHSA-N 439.520 1.329 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 1359292365 NYCWKHACSPXNJC-MRXNPFEDSA-N 446.577 1.575 30 10 IDEE CC(=O)NCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1359453740 TUJRNMVWJSZUSN-GOSISDBHSA-N 425.493 1.402 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CN([C@@H]3CCOC3)C2)CC1 1443659657 AEMVIPGYZQLHOW-MOPGFXCFSA-N 433.350 1.879 30 10 IDEE CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1450205262 QFVFONXOAOGVRH-UHFFFAOYSA-N 434.499 1.629 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1454932276 ANGWAICAFPXDAI-QGZVFWFLSA-N 444.488 1.993 30 10 IDEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CCCc2ccccc21 1456267990 OFJORTZFJMXHFZ-KKSFZXQISA-N 439.537 1.992 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(F)c(I)c3)C2)c(=O)nc1O 1457198541 IUZPBHWMFSLHMP-UHFFFAOYSA-N 440.172 1.261 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2(C#N)CCC2)c1 1457858135 ABBBFTZTAQHZJM-UHFFFAOYSA-N 434.562 1.977 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3cnc(Br)cc23)cc1 1470987186 AZMBKTQOLZFAKF-UHFFFAOYSA-N 434.275 1.884 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3cccc(F)c3)c2CCC)CC1 1471451196 PSKNMAJVSZNWLB-UHFFFAOYSA-N 433.509 1.189 30 10 IDEE COc1cnc([C@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)nc1O 1473864037 LGRJVHOAAMZCMY-CVEARBPZSA-N 442.545 1.798 30 10 IDEE Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1492966986 FSKGBSVHBHXHGH-UVTIVQHFSA-N 431.497 1.216 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1501192832 MMHFXBXIJQZHQJ-MRXNPFEDSA-N 428.928 1.696 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1502689454 ZEIWHDJRWUNKDD-YCRPNKLZSA-N 428.493 1.406 30 10 IDEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1 1503200631 MDVQHVAPYXLJOR-INIZCTEOSA-N 447.565 1.123 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1(C)C 1504497292 JAQMDUGGFDYXJD-QGZVFWFLSA-N 432.550 1.569 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)C[C@@H]1C 1504913068 GDTHDKCDIYIYTI-PXNSSMCTSA-N 428.537 1.635 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCOCC(F)F)cc1 1505319784 KMXCIRVQVXFQNE-INIZCTEOSA-N 446.458 1.821 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1507531820 DIRAGCVYHZQIPM-HZPDHXFCSA-N 435.532 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1507535270 XICMORBNMFTDSY-INIZCTEOSA-N 433.516 1.825 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1507577560 RFBXMCZMUMUPGL-MRXNPFEDSA-N 444.561 1.276 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507630866 JCLDTJDITHNOKM-KRWDZBQOSA-N 431.562 1.985 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1507660714 YHPNMDZWHGPKBG-RTBURBONSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1507676108 JHYQYBBPOSHDHA-UHFFFAOYSA-N 447.499 1.540 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccco1 1507710584 QYUCBLHMZWFQCQ-NRFANRHFSA-N 427.461 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2COCCO2)CC1 1507733999 FAUXBOFFCPVTEJ-IBGZPJMESA-N 443.935 1.980 30 10 IDEE C=C(C)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1507835144 MPZOMVBUKBFZNJ-QFIPXVFZSA-N 429.569 1.952 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507875763 XGSMZDZFLGKZED-WOJBJXKFSA-N 425.961 1.984 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1507935645 SVTWAJSSGOGEKK-BZUAXINKSA-N 432.612 1.794 30 10 IDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCS(=O)(=O)C1 1507970622 LQJGHGVZISNMGJ-HXUWFJFHSA-N 428.518 1.507 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(F)(F)F)C1 1508085295 GREMZXFBGXCMDZ-INIZCTEOSA-N 439.438 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCC(F)(F)F 1508131899 RYQRRYSZIDBEMQ-UHFFFAOYSA-N 446.455 1.915 30 10 IDEE C=CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1508168997 WGDOFYQXDHBICF-XGHQBKJUSA-N 435.594 1.953 30 10 IDEE CC[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1514065330 RLVYMWGUNIYIAH-MAUKXSAKSA-N 448.549 1.750 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CNC(C)=O)CC2)CCOC1 1517925537 CDSWTSHYOUTGHZ-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1519435598 FTFKKOLDXUVJNF-DKICVRJWSA-N 432.456 1.467 30 10 IDEE CN(C)C(=O)Cn1cc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1539062276 BEPYSFJTJMIWMN-HTQZYQBOSA-N 449.302 1.609 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539222921 YPRHYFPEPCWQTF-ILXRZTDVSA-N 441.504 1.291 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NC(C)C)CC1 1539484692 ZNQCWFNUPKVCRU-UHFFFAOYSA-N 428.562 1.421 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC(=O)NC2CCCCC2)CC1 1539489846 PDUOEVSGVBJNDY-UHFFFAOYSA-N 444.580 1.619 30 10 IDEE C=CCCOCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1C(C)(C)C 1540043253 ZBYLKMVMWSGJNN-UHFFFAOYSA-N 427.553 1.989 30 10 IDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1540857027 RCARAFZQXKXNTF-UHFFFAOYSA-N 445.549 1.236 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540870309 JYFOEPGMKYNRCJ-PKOBYXMFSA-N 432.569 1.511 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1540872877 DHZZXZPVOTUNEV-SFHVURJKSA-N 425.537 1.451 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1540889810 UNWBWKLEPSYQAK-RBUKOAKNSA-N 440.548 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCCC2)C1 1540902245 DZKYAJVKLUZYPA-RTBURBONSA-N 437.610 1.838 30 10 IDEE C#CCN(C(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1542211004 HRWCCKJYHBNUPG-OLZOCXBDSA-N 427.548 1.991 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1 1544508376 DQDORXWWIRJRIY-LPHOPBHVSA-N 440.525 1.646 30 10 IDEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1)OC 1545992328 HQINIDLRWBRGLX-GJYPPUQNSA-N 440.570 1.166 30 10 IDEE COCC1=CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555320409 HZJGPKZLZYTZQR-BWVDKLOVSA-N 442.520 1.829 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@H]1CF 1555664546 OMQYCHSYJDLSDM-NBOOPKSLSA-N 444.515 1.909 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCCO)C1 1555985334 NAHVINMMAKIHGY-NRFANRHFSA-N 425.468 1.972 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1Cc2ccc(C#N)cc2C1 1557207523 SZJGXOVIEYGYEX-LJQANCHMSA-N 447.538 1.182 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1=O 1562412591 YUQKGLBNEKIVJY-AWEZNQCLSA-N 430.914 1.773 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[C@H]1C(F)(F)F 1564723493 ABCJEFDLJODLCC-QWHCGFSZSA-N 445.446 1.884 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C(=O)OC)c2ccc(F)cc2)s1 1568645953 IMAKLZJGYWXOFZ-MRXNPFEDSA-N 440.518 1.967 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 1584107782 GUPLGDASZIHKKB-OXQOHEQNSA-N 442.541 1.108 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 1587630478 KTHBTCHMLRCDBW-RUCARUNLSA-N 432.523 1.333 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1588224373 XMCNLLNPPOZNTF-FCHUYYIVSA-N 446.555 1.593 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1588480641 APNCQGOIHMAXBC-IBGZPJMESA-N 441.507 1.940 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1588628790 PAFOEWMDLQHDHM-WJOKGBTCSA-N 442.545 1.047 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1588752776 VKECLQGGUPSFQV-HSZRJFAPSA-N 443.523 1.881 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(C)c2C)CC1 1588837436 UMTGYPMVVOVWHS-UHFFFAOYSA-N 425.487 1.993 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2=CCCOC2)CC1 1588967883 CFJVNBLOBNFHGU-PMACEKPBSA-N 443.548 1.315 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)no2)CC1 1588968600 NIIMFGAHOFXPBO-HKUYNNGSSA-N 442.520 1.313 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1589289945 YRQZXRLPIQVBNF-QGZVFWFLSA-N 439.314 1.454 30 10 IDEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594720402 LDEZFDJCYZVDLS-UHFFFAOYSA-N 437.548 1.886 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)C[C@H]1O 1618884976 WDGDWEQDDNQLEK-HZPDHXFCSA-N 435.431 1.806 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1619770547 IAUNEXZMEJHDIL-VGSWGCGISA-N 426.521 1.696 30 10 IDEE N#Cc1ccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCSCCCO)cc1 1620349729 RVSMIHBXRXKXPJ-QZTJIDSGSA-N 426.546 1.647 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 1624004283 KMZXTDAPYLZHFZ-UHFFFAOYSA-N 444.582 1.971 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 1632328439 GUPQQYYKKHIAKY-IBGZPJMESA-N 428.439 1.205 30 10 IDEE C=CCC[C@@H](CO)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1635342132 BPWPZNYUALMAEK-HNNXBMFYSA-N 437.518 1.212 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)c1 1637897969 JHVVPAKUSUVSDF-UHFFFAOYSA-N 448.522 1.981 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 1644043462 WATXHLLXLKDUFH-UHFFFAOYSA-N 438.488 1.920 30 10 IDEE C#CCC1(O)CCN(CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)CC1 1644291532 KAFCPJCDMZMZFF-UHFFFAOYSA-N 433.574 1.792 30 10 IDEE C#CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CSC1 1645212269 KZILHOFBGFQJNY-KBMXLJTQSA-N 428.576 1.234 30 10 IDEE CC(C)(CNS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1652300786 GBVXRVVQDLRTFB-SHYRYGCCSA-N 428.555 1.217 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)cn1 1655958944 WZCCWUNXKUONRB-UHFFFAOYSA-N 432.321 1.161 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)CC1 1669946338 DLJSCRWNORJSJS-GOSISDBHSA-N 433.578 1.991 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC2(O)CCC2)c1 1689868848 SBMVJKIOHKQREZ-UHFFFAOYSA-N 438.532 1.778 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)CC(F)(F)F 1689959938 RRVBREKXRBSDGY-UHFFFAOYSA-N 443.499 1.802 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1690046168 ZJUNNMUVCWGCGP-AZUAARDMSA-N 430.512 1.745 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1690130916 PYCVKODKVZEHQZ-DVECYGJZSA-N 439.560 1.367 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCCC2)CC1 1690132022 DLKDFEJWAHWZDG-UHFFFAOYSA-N 433.560 1.970 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1690508725 OBOIOPHUZOECIM-GOSISDBHSA-N 439.582 1.750 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](COCC)C1 1690662780 DBLQGQPOXNVOKP-MRXNPFEDSA-N 447.561 1.514 30 10 IDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1695267714 FYNLLLWAVAMCCQ-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCCO2)n1CCCNS(C)(=O)=O 1696688751 ZUSVAEOBQUHGEH-GOSISDBHSA-N 432.550 1.967 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1696756982 NBXMHYLKMHIFNK-BSBNDGSWSA-N 437.504 1.729 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)c(OC)c1 1697381280 KHOHEOBVXPZUCM-ROUUACIJSA-N 443.504 1.887 30 10 IDEE CSC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CCC1 1698365239 CRBFUFURRSMMAI-HUUCEWRRSA-N 442.611 1.493 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 1705477776 RTAIKVSKTWVTNY-ZIAGYGMSSA-N 449.524 1.177 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1705478096 WLPYKUXJBAFATE-IAGOWNOFSA-N 441.561 1.639 30 10 IDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCS(=O)(=O)C1 1705548449 HLNXDJBVFJIVLB-QGZVFWFLSA-N 439.335 1.327 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCS(=O)(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705566539 NZIHTZJAQUXYCP-MRXNPFEDSA-N 442.607 1.386 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705571763 HKIDCKHUDQBYJB-ZIAGYGMSSA-N 436.563 1.219 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NCCC 1705596005 OIQPGAHTYNXFPE-UHFFFAOYSA-N 431.500 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1705598628 MTIFOHDEGDAYFQ-LJQANCHMSA-N 425.558 1.780 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(OC)CCOC2)CC1 1705640206 ITWVYMOQHDQPDN-JOCHJYFZSA-N 431.487 1.708 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)[C@H](C)CCC)CC1 1705648851 AVWMXPZRHUKBKQ-QGZVFWFLSA-N 439.564 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCc2ccccc2)CC1 1705651166 MLIWSESFRUPEKU-UHFFFAOYSA-N 448.571 1.999 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)CC1 1705700712 XNIVMOXSSKTVCE-HBFSDRIKSA-N 432.569 1.369 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1705834719 QKIGTAKZNVUYGC-OAHLLOKOSA-N 428.603 1.400 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705896495 OIMAANJXUFOQQT-ZDUSSCGKSA-N 447.337 1.677 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705902389 DBJWCMQEGPDGAM-QZTJIDSGSA-N 428.541 1.209 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCC(F)F)C1 1705926951 OIXICRARDCTYFD-INIZCTEOSA-N 445.474 1.679 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(F)cc2C1 1705934776 WWJBEAKRQVJODN-QGZVFWFLSA-N 433.509 1.532 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1710856595 AKTMLMSCQIBGCQ-AWEZNQCLSA-N 439.563 1.121 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722332325 ITIBYEALVDKTTD-LJQANCHMSA-N 445.593 1.039 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1722361526 ZLAFADVHLOOMTK-QGZVFWFLSA-N 449.602 1.522 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722368006 OHEVPIFAHYZVAH-FHWLQOOXSA-N 437.610 1.877 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1722419524 APOWBZLCTPXUBB-UHFFFAOYSA-N 449.288 1.505 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCN(C)C1 1722427277 MAQYCIRPGCDHLZ-HSZRJFAPSA-N 427.549 1.627 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nc(C)c(C)s2)CC1 1722428877 CGLORPUHMHXXHM-UHFFFAOYSA-N 427.578 1.585 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C2CC2)CC1 1722442342 YPJJDWTXFHSRCY-NRFANRHFSA-N 428.562 1.186 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722462947 QPFGQNCCEMCHRT-INIZCTEOSA-N 444.586 1.770 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722527397 IEAMLEFZBPYVNU-QGZVFWFLSA-N 431.541 1.147 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1722698232 WPKFTIOUIDOJKN-HXUWFJFHSA-N 435.532 1.431 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCn2nc(C)nc2C1 1722701844 GIKCOYRERXCRQJ-UHFFFAOYSA-N 436.520 1.696 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNC(C)=O)C1 1722716258 XPZUDYYDVUFPHX-MRXNPFEDSA-N 437.504 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722725809 SPJWCWODSBUSGZ-QGZVFWFLSA-N 432.550 1.246 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1722739034 SGBOFYKVHZEXNF-MRXNPFEDSA-N 449.606 1.216 30 10 IDEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729150052 GTDKHBIAOSHASG-CRAIPNDOSA-N 448.549 1.374 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1730946945 QZMDBSVIEDGRRY-RYLXDESZSA-N 436.532 1.291 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740533361 REMMTLWPHIALIT-SOUVJXGZSA-N 442.586 1.507 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1740631026 NXPYMAUCDQSDMM-INIZCTEOSA-N 438.513 1.664 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740678980 WPDGFQBLZCCMIG-SFHVURJKSA-N 438.532 1.555 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N(C)C 1740682809 JYZYQKKXMQVGPH-UHFFFAOYSA-N 425.942 1.576 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740950840 JQTUJGLRHOJSJY-ICSRJNTNSA-N 434.585 1.569 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H]1C 1740952492 GEUHJCJOLAMZOA-AWEZNQCLSA-N 431.566 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740988160 VNPKDGDCEOJCIX-AEFFLSMTSA-N 436.534 1.832 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1741128465 WLIYVTSWKPOFKV-RHSMWYFYSA-N 434.508 1.431 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCCn2cnnn2)c1 1748694925 UREOVLYEPKNNAS-UHFFFAOYSA-N 435.536 2.000 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1748751918 OLLFXAJENMMKQZ-GOSISDBHSA-N 439.582 1.418 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1748926138 AKXFPBNPFNXKGH-SFHVURJKSA-N 426.496 1.713 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCCCC2)CC1 1748971409 OIBPBWOAGSLRCP-UHFFFAOYSA-N 427.597 1.534 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1749159796 YSDSGFPYCUSVGU-QZTJIDSGSA-N 447.609 1.985 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCC2=O)CC1 1749235075 OFBNASCPQFLINX-UHFFFAOYSA-N 430.553 1.584 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749249406 DRJLUMRIZVFVAG-UHFFFAOYSA-N 447.005 1.809 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1749464866 GUTDROJLIXVMHK-INIZCTEOSA-N 429.550 1.804 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749764833 CKVIVAXDJRGPKB-WOJBJXKFSA-N 437.548 1.500 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCOCC1 1750467942 WONVDSUTGINSDS-UHFFFAOYSA-N 426.521 1.943 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760234936 XYLJNGGXNRIGAA-LSDHHAIUSA-N 428.459 1.342 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C/C=C\c2ccccc2)CC1 1760254457 XMYDDVCKNLEMAO-YFWYWMRJSA-N 428.562 1.357 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nncn2C)CC1 1760267520 PEQIOOYWVRIUTN-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760280173 DDKWPGMDQQQHKA-SFHVURJKSA-N 427.578 1.964 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1760358108 NVBKVHQSZKFJJW-UHFFFAOYSA-N 431.512 1.896 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760376942 KCSXQGQWILCEAL-QGZVFWFLSA-N 429.912 1.783 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1760428507 XUXAQWHVMGXTET-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760445435 JTVYNERWLLNBCW-OALUTQOASA-N 432.569 1.264 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2F)CC1 1760452506 NCUQWMHVKDXZIW-UHFFFAOYSA-N 443.527 1.854 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)NCC)c2)C1 1760533233 CXNWKWMHDJOLCT-IBGZPJMESA-N 440.548 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(C)(C)C)CC1 1760555748 MHEHIJYNAYBEFH-MRXNPFEDSA-N 438.598 1.141 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(N(C)C(C)=O)CC1 1760556785 PXFCASVUHOWANM-UHFFFAOYSA-N 446.577 1.312 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1760700316 FSSVULBVNGVVGP-GRDNDAEWSA-N 430.534 1.353 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@@H]1C 1769495894 LVYUHHRVTDIIBE-INIZCTEOSA-N 435.492 1.775 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1769995497 SOPYDWLXUYZDGI-WMZOPIPTSA-N 439.582 1.957 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)CC1 1852476185 UUCXVGKMLHFVTG-NRFANRHFSA-N 446.511 1.853 30 10 IDEE COc1ccc2c(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc(OC)nc2n1 1853327602 HREPWSILMPCHLV-UHFFFAOYSA-N 448.483 1.893 30 10 IDEE COc1ncccc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856380543 PFCSHYNAWGCLFX-HNNXBMFYSA-N 425.514 1.582 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@@H](NC(=O)c4cccc(C#N)c4)C3)ccc21 1858327831 UWESTVBAKGSAJU-OAHLLOKOSA-N 426.454 1.196 30 10 IDEE CCN(CC)CCNC(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931636 CGDINEOMHOKWIC-LJQANCHMSA-N 428.558 1.794 30 10 IDEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870562749 ULVGEDRVJVMZBN-UHFFFAOYSA-N 441.528 1.058 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)CC1 1890146453 ZVLOGZXOZFVVKJ-UHFFFAOYSA-N 427.545 1.606 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2060625336 JDIWZSIAGPZAIJ-OAHLLOKOSA-N 433.314 1.693 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060627319 HVOSJSXEHPCRMD-MELADBBJSA-N 435.330 1.273 30 10 IDEE C#CCn1ncc(NC[C@@H]2C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2172853864 MJZMVQMQEFTTEJ-OBJOEFQTSA-N 441.326 1.715 30 10 IDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243438069 GUBOHZGQFUQXCD-UHFFFAOYSA-N 448.372 1.782 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248403573 FGYCUESGWWMVJV-ZDUSSCGKSA-N 425.266 1.344 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2248433733 PFILQTWCSLNWNG-UHFFFAOYSA-N 439.343 1.352 30 10 IDEE Cn1cc(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2255816926 NBACBPXDUDDPAA-CHWSQXEVSA-N 432.330 1.314 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2255829127 JRPJXOUJSRFYCU-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267007728 AMYNLNDPQBFRKS-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE Cn1nc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2267127118 GUIGBNYGEGOVBC-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267263115 AUTSXTDPNBAULC-AWEZNQCLSA-N 449.361 1.491 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2267516308 BXMKYCZIABEUSF-KBPBESRZSA-N 446.357 1.623 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1nccn1Cc1ccccc1 2267601836 BVUCOMVXKUFNGR-UHFFFAOYSA-N 436.325 1.332 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC1(C)C 2267605245 UFOHCWZTELRSHP-QGZVFWFLSA-N 439.369 1.755 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269047302 QMAGSNBTHBXXLO-PBHICJAKSA-N 443.309 1.508 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2307112434 MIFNZRLNALWXOM-CQSZACIVSA-N 439.509 1.874 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CCO)COCc1ccccc1 2320418513 GDDRECBPHUPINA-KRWDZBQOSA-N 429.326 1.417 30 10 IDEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1 2328574084 IIAMSLKQHBJDHC-UHFFFAOYSA-N 427.486 1.943 30 10 IDEE COc1[nH]c(=NCC2(CO)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339785044 MJFLQRFHYINPTK-UHFFFAOYSA-N 449.357 1.453 30 10 IDEE CC(=O)O[C@@H]1[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1COP(=O)(OCCC#N)OCCC#N 35636196 YDWCHPGRHWOJBO-FZKCQIBNSA-N 432.366 1.822 30 10 IDEE in-vitro CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 110964527 DFVCVXIQSBEQLF-FQEVSTJZSA-N 432.484 1.800 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430971053 JKOMJOCSIBGZOY-UHFFFAOYSA-N 447.564 1.748 30 10 IDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 439748287 BHRRSDPAOWHTJH-INIZCTEOSA-N 448.526 1.864 30 10 IDEE CCO[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C12CCC2 466055239 MRJJTSIMXYIEFK-RBUKOAKNSA-N 432.546 1.922 30 10 IDEE CCOC(=O)[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 466775707 GNSOEWSDQSTAIQ-GOSISDBHSA-N 437.518 1.043 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c(F)c1 473445330 SPYPZWBMCWIBLL-HZPDHXFCSA-N 435.408 1.542 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 500827994 NNCGBBUKHKZNSW-UYAOXDASSA-N 435.546 1.615 30 10 IDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)ccc21 503672717 SBTFBKJMUVTRMV-SFHVURJKSA-N 449.492 1.735 30 10 IDEE C=CCNC(=O)CN1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 504126056 UTRNUWZPUJSREI-QGZVFWFLSA-N 426.439 1.610 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 505786649 DGVMAMNDTNCEMD-DEOSSOPVSA-N 440.544 1.982 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508119459 OXMFDIKGYQVADS-KSSFIOAISA-N 444.488 1.676 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 511367700 SHVTYXLEGDIXJQ-LBPRGKRZSA-N 425.454 1.669 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 515875311 YBPJAQHUALIFIV-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 517639759 PAVQMVHENIPHPP-KRWDZBQOSA-N 442.545 1.068 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)c3cccc(S(N)(=O)=O)c3)cc2C1=O 518926893 WKCRYJJZQMETKS-CYBMUJFWSA-N 427.482 1.949 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCOC1 532755967 PEDCDRVMNIHBGC-ZDUSSCGKSA-N 425.535 1.752 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)c1C#N 534798262 GYTULZAUIMOCEJ-HXUWFJFHSA-N 431.500 1.808 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)C1=O 536908913 GIHKBQBCCOYCSP-NVXWUHKLSA-N 436.871 1.707 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCCSC 540696538 RSVBFGYGKCFDIS-UHFFFAOYSA-N 446.598 1.404 30 10 IDEE CS(=O)(=O)N1CCc2c(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)cccc21 546927516 WKGJZZOGSVUEJJ-UHFFFAOYSA-N 426.502 1.629 30 10 IDEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)N3CCC[C@H](C(=O)O)C3)CC2)c1 547889786 MEFXADNEPHACOV-AWEZNQCLSA-N 440.909 1.435 30 10 IDEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1 548543972 QSTSTGHKQCRJML-ZDUSSCGKSA-N 440.909 1.435 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C[C@H]1CCCO1 553365056 KVFYYFVHBKYHNR-QGZVFWFLSA-N 439.537 1.211 30 10 IDEE CCOCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1CC(C)C 555355806 AEZISBWCEVBCNQ-UHFFFAOYSA-N 432.550 1.853 30 10 IDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 558455277 VKPXJFOIVYDUIR-IBGZPJMESA-N 445.545 1.981 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCOC2)c1=O 575634659 ZLWQHDXDGUKAIU-AWEZNQCLSA-N 442.512 1.966 30 10 IDEE N#Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 611643920 WEXNARCZBFEDMZ-YJBOKZPZSA-N 437.880 1.791 30 10 IDEE C[C@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccoc2)c1=O 727418158 WLKOAFLGEVFIPE-CQSZACIVSA-N 441.534 1.535 30 10 IDEE C[C@H](CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1)CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732650402 QGZIVPFCDWIHNR-DUXKGJEZSA-N 426.565 1.190 30 10 IDEE N#C[C@H]1CN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCN1C1CC1 732697963 PMRSWDTVMZWMBR-INIZCTEOSA-N 437.497 1.051 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@]2(C)CCOC2)cn1 733077666 HHHQSKSNCPQEQR-OXQOHEQNSA-N 436.582 1.329 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCNC(=O)c1ccccc1 749860543 YPXBHYFCRXEETM-UHFFFAOYSA-N 428.514 1.442 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCc2cnc(C3CC3)nc2)cn1 755563144 DWELYFOJHXFMMQ-MRXNPFEDSA-N 427.534 1.881 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O 757377500 SDGPMUXWXUSQHT-OAQYLSRUSA-N 436.464 1.823 30 10 IDEE CC(Cn1ccccc1=O)=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 761743239 MPDSFVWMAPECOV-UHFFFAOYSA-N 435.462 1.265 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCOC[C@H]2C2CC2)ccc1F 766076050 FLNDQIZUPMZNGQ-INIZCTEOSA-N 426.466 1.084 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 772481432 KEBKBEFWDOLTIE-CMTMBAJVSA-N 439.394 1.790 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774254363 WCNDPEXXKOCQDC-IRXDYDNUSA-N 435.546 1.362 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1 780179679 YLAFIHDSCOYLMG-QFIPXVFZSA-N 435.521 1.652 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 794592621 LZYZCSJWEZGNNS-ZDUSSCGKSA-N 441.509 1.993 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(S(N)(=O)=O)ccc2F)cc1 798323639 YTIKKRDTGHVPAM-INIZCTEOSA-N 434.474 1.499 30 10 IDEE C[C@@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 799862167 PLTPTADBLMIGSV-LRDDRELGSA-N 431.493 1.633 30 10 IDEE CN(C)c1cc(C#N)cc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 814571869 CVOCEWCKISYFHJ-UHFFFAOYSA-N 426.498 1.827 30 10 IDEE CCN1CC[C@H]2OCCN(C(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 818033451 HOLKCJDJQFSCSD-CEXWTWQISA-N 448.589 1.461 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C/c3cnc4ccccc4n3)CC2)o1 914684038 TUXXAANNMMLCMA-VOTSOKGWSA-N 432.440 1.703 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)o1 1084521301 JFFZPFLXLGBLIN-UHFFFAOYSA-N 447.437 1.218 30 10 IDEE N#CC[C@]1(O)CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C1 1143195293 AMGGATFWAAWXBX-KRWDZBQOSA-N 441.269 1.618 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)ccc2CS(C)(=O)=O)cc1 1148850582 GZDLNRVNRVYVSM-UHFFFAOYSA-N 440.518 1.765 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CC1 1157759481 ABCRONDXHRYMAA-HDICACEKSA-N 436.468 1.884 30 10 IDEE C=C(C)C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C(=O)OC 1171469278 GMARERXJTZMXFI-WCVJEAGWSA-N 444.550 1.281 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)cc1 1214688000 VGRBGZDUHRPPOJ-QGZVFWFLSA-N 437.518 1.537 30 10 IDEE C#C[C@@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)[C@H]1CCCO1 1226724979 PWSWUEKWJPIHSK-XRGQIBNMSA-N 435.521 1.655 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286392972 JSPDZSPVNGADKG-QRVBRYPASA-N 435.594 1.139 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1286522243 IGWFGCPNVUTLQK-WAOWUJCRSA-N 436.578 1.616 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1 1286561092 BKCZKKKQYPWXIG-FJIDUMEYSA-N 440.566 1.218 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1286607308 OAUTWZLDYQLRBG-HXUWFJFHSA-N 440.552 1.990 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2nnc(C)s2)C1 1286812912 PWNLHQBUCPDSAN-INIZCTEOSA-N 431.566 1.975 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1291324497 XTWZZNSZLBCAFO-PERKRYKHSA-N 427.505 1.884 30 10 IDEE CCC[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293897651 YHWKLVLXISZXLS-QFPXGYFVSA-N 429.525 1.665 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](F)COC)CCN2C1=O 1295889129 CDOQWRRNSBHJSB-IAGOWNOFSA-N 441.467 1.274 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 1297768433 IHGQBTPRNCAKOZ-SFHVURJKSA-N 432.550 1.236 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCO[C@H]2C)c1 1300334111 HVOSESPOQTWQDG-XAEMIUIASA-N 439.516 1.378 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1300364681 LSWJYTRLCPSSRS-GOSISDBHSA-N 434.566 1.545 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1300411146 RAGKDHQPFIGDPU-CVEARBPZSA-N 427.596 1.356 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)CN1CCOCC1 1300432383 IAFJMLVUJWZLSZ-QGZVFWFLSA-N 444.967 1.899 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300491913 JOVRVIXBICVMGK-IIBYNOLFSA-N 444.561 1.303 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCS1(=O)=O 1300595645 DYYPPMDPYYCHMM-OTWHNJEPSA-N 434.562 1.432 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)cc1 1300608974 BTCFVEXBHKUMHL-UHFFFAOYSA-N 430.408 1.812 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 1300895761 VITJDRPTHIYNKZ-UHFFFAOYSA-N 427.509 1.577 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1301036160 BGTOJTFIDYCOHQ-HOTGVXAUSA-N 435.960 1.115 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1301216056 BMKVSFBSBAAPGN-UYAOXDASSA-N 437.548 1.544 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](C(=O)OC)C1 1301492639 LXBRQKPDCFQYBD-INIZCTEOSA-N 441.488 1.408 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OC 1309863635 LFRXPONGMNFHFJ-NSHDSACASA-N 447.307 1.956 30 10 IDEE C=CCC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1310013138 ISXLDBKRMGUKLI-OAHLLOKOSA-N 427.523 1.555 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1313439179 UNRNMJJGPYTFEK-UHFFFAOYSA-N 442.589 1.668 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1315812756 NOOSSKCJZCPUID-AHRSYUTCSA-N 428.512 1.958 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c2)NC(=O)NC1=O 1320309474 QIQZSEMYODHEEX-XXBNENTESA-N 433.468 1.896 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2(OC)CCOC2)c1 1358904189 YLDBLMMJTRYJTD-AUSIDOKSSA-N 439.516 1.991 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1358934569 GASWXGQGAVEPJR-UHFFFAOYSA-N 434.500 1.936 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358962991 ABXCVAHVPKREGS-ZWKOTPCHSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358967383 JJMVGYFITGLATQ-RBUKOAKNSA-N 437.610 1.706 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1358999998 JIELJBDTYDRRGD-IAGOWNOFSA-N 430.578 1.799 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1359029438 XTAHYUNQTOGWFW-UHFFFAOYSA-N 444.605 1.629 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCS(C)(=O)=O)C1CC1 1359096371 ALYCUBAIWGDSJO-LESCRADOSA-N 437.566 1.224 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359213971 NWFHMLAHSAGOOP-HNNXBMFYSA-N 442.545 1.782 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1359280909 IXOSMZYNNFJDEP-JOCHJYFZSA-N 426.521 1.992 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359292106 IKRVXUSPFINTMF-UXLLHSPISA-N 442.495 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C)C1 1359329943 ZXASPZNRCJGVHJ-HNNXBMFYSA-N 434.518 1.542 30 10 IDEE C#C[C@@H]1COCCN1C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1451200208 XMGNOBUNCJYFJB-OPAMFIHVSA-N 447.491 1.630 30 10 IDEE N#Cc1ccccc1N1CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)CC1 1462983438 HKKDIDCBSBBUFA-UHFFFAOYSA-N 447.318 1.874 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)c1 1469166153 FYDLTZMGOUWGNT-KRWDZBQOSA-N 439.534 1.809 30 10 IDEE CCn1c2ccccc2c2cc(NC(=O)Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)ccc21 1473076855 ARIQATYYRPZMSM-UHFFFAOYSA-N 445.479 1.949 30 10 IDEE CNC(=O)[C@@H]1Cc2ccccc2N1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1473505580 DWZUCMQCWBVOIC-FCHUYYIVSA-N 435.503 1.712 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)N(C(=O)CC)CC3)n1 1475261454 LJUHRIKCXADRKK-UHFFFAOYSA-N 430.530 1.653 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C3CCOCC3)C3CC3)CC2)cc1 1478911450 FTYUPZXZMCHJML-HXUWFJFHSA-N 432.546 1.779 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501421476 QHHUXRUXBBNFGP-SFHVURJKSA-N 438.536 1.244 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507628330 NKLXYFJNRKPOPM-QFBILLFUSA-N 426.546 1.394 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1507634852 QCDOQRCVFYDZLD-SFHVURJKSA-N 444.561 1.642 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1507660465 UTSOQFKXHSLXBS-ICSRJNTNSA-N 448.637 1.862 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1507685048 LVGFMGWDUWGHQI-UHFFFAOYSA-N 448.545 1.362 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507736334 ITDLEVRYRBVAJN-HKUYNNGSSA-N 426.521 1.291 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1507807007 BUZLGNHUOJJURT-IPJJNNNSSA-N 433.553 1.580 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1507883789 JEVAXLPTYDSECR-SJLPKXTDSA-N 426.496 1.869 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507961161 ZHSAIDUTXGZVKU-HXUWFJFHSA-N 439.564 1.676 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1508074808 RUGHYOOLVDNHEX-QGZVFWFLSA-N 440.504 1.772 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2cc[nH]n2)cs1 1511539313 PUGZCGCFXPFYKU-UHFFFAOYSA-N 439.549 1.917 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H]1C 1515808814 GNNRXTXZZLXOPB-ZWKOTPCHSA-N 437.548 1.594 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1516180711 FJLBHZAANGSNKI-WOJBJXKFSA-N 432.456 1.395 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1517023216 UCRPVOSSOSHHBK-UHFFFAOYSA-N 449.563 1.455 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1519613026 HMKFZMHDOGQHPV-IBGZPJMESA-N 444.496 1.122 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc4ccc(Br)cc4c(=O)o3)C[C@H]1CS(=O)(=O)C2 1538539511 INRQJYVXALMRKK-GTNSWQLSSA-N 437.271 1.566 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539120526 XCYLFFOWGYDDNQ-CEWLAPEOSA-N 428.581 1.574 30 10 IDEE C#CCCCn1c(COCC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1539139142 DUZOGGBLBZABAC-UHFFFAOYSA-N 431.562 1.880 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539264160 WSCSWFUOEJFNHQ-XUVXKRRUSA-N 445.589 1.449 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)C2CC2)CC1 1539469662 TXHWQDLUJSUBAC-GOTSBHOMSA-N 445.564 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCC2CC2)CC1 1539473820 CJVXBSAVFBDOJE-UHFFFAOYSA-N 434.544 1.746 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCOC1)C1CC1 1540098745 HQSJACVMNNKXCZ-OAQYLSRUSA-N 447.561 1.502 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1 1540171113 VUEHGYZUOCKHTF-KRWDZBQOSA-N 439.582 1.485 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1540873082 MBFUDPYEOCUWHT-UHFFFAOYSA-N 436.520 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540901746 NSFISSCBXPIUDG-UHFFFAOYSA-N 425.555 1.813 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1547321764 XLUZEXKKNDUQFM-PKOBYXMFSA-N 437.548 1.880 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1555688087 SQVQCKOVSZORCQ-QZTJIDSGSA-N 428.493 1.369 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)c1 1557588269 YOFABWGOOREZCJ-UHFFFAOYSA-N 437.481 1.748 30 10 IDEE Nc1c[nH]nc1[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1558788221 YBIRWZWSVIUBFW-CQSZACIVSA-N 430.534 1.607 30 10 IDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(C(=O)CC#N)CC1 1559846091 DKZPSVQKZJEUOX-QGZVFWFLSA-N 447.561 1.246 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCOCC1 1587578963 AUKBAKCIFZJEBB-HNNXBMFYSA-N 430.505 1.970 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1587931709 ATOKREORYILEBG-HNNXBMFYSA-N 436.559 1.243 30 10 IDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cccc(C#CCO)c3)c2)CC1 1587961611 BACPCCMPGYZZMZ-UHFFFAOYSA-N 427.526 1.609 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1588065322 WURGPTXHKMMZEW-SFHVURJKSA-N 444.557 1.923 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1588075117 YBBHBRRTZVXCHK-RBUKOAKNSA-N 449.577 1.015 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCn2nc(C)cc2C)CC1 1588751116 IPNVLSPSAJJCLW-QHCPKHFHSA-N 441.580 1.589 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1589078350 MLYALANTPVADJW-UHFFFAOYSA-N 431.537 1.669 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595523481 VWXKCMBJJAGZSB-OAHLLOKOSA-N 437.508 1.217 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ncc(C#N)cc2Cl)C1 1597577458 WHYWBYSAXVVUIC-ZDUSSCGKSA-N 442.925 1.761 30 10 IDEE CN(CC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1618078060 AONAAERRHAZWCG-OAQYLSRUSA-N 429.546 1.993 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCC[C@H]21 1620178423 GBWITDWEOFFUHS-SJLPKXTDSA-N 430.534 1.657 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCOCCCO)CCO2)c1 1620349208 HOKLOLAYFCQKKR-MOPGFXCFSA-N 440.504 1.078 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)CC(=O)OC(C)(C)C)ccc1F 1627565209 LLKOLOJAGHWKEW-UHFFFAOYSA-N 430.498 1.720 30 10 IDEE N#Cc1cc(CNC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)ccn1 1634627427 CNKDHLKQPVOQHG-UHFFFAOYSA-N 444.513 1.880 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN(CCO)CCOCC(F)(F)F)CC1 1641747117 KUZNWSMDHWVIOR-HNNXBMFYSA-N 434.484 1.330 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)O1 1648404907 RXUKIJIEOFXGSH-SLFFLAALSA-N 425.489 1.577 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)[C@@H](C)O)cc1 1648719136 FWONTNUPIYFCMH-AGHHOFFYSA-N 442.541 1.502 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2ccc(I)c(Cl)c2)c(=O)n1CCO 1653037133 PNNAXKGNZAELLU-UHFFFAOYSA-N 445.644 1.489 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1657638019 UNHBQPXVKOXHCA-YESZJQIVSA-N 439.559 1.867 30 10 IDEE CCn1c(CN2CCO[C@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1660381363 DCFCSADBPOZTJP-HXUWFJFHSA-N 433.534 1.192 30 10 IDEE N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)C2)cc1 1661323084 GLDIEUBYKYDTPE-UHFFFAOYSA-N 427.482 1.668 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3ccccc3cc2C(=O)OC)CC1 1661769700 DZQDCFMAMSTVRW-UHFFFAOYSA-N 443.525 1.072 30 10 IDEE CN(C)C(=O)CN1CCC(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1667071212 CHYLOMDYIUSVIF-UHFFFAOYSA-N 447.330 1.291 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CCN(Cc2ccncc2)CC1 1682521546 GXYSXYVLXWGWAZ-GOSISDBHSA-N 434.548 1.876 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 1683172352 HJMQFOCTLSTFAU-UHFFFAOYSA-N 430.505 1.386 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 1684235718 LKXSWKIMJUBTTD-PMACEKPBSA-N 432.546 1.922 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc2c(c1)OCO2 1689945886 KENZDOWTQDMEAN-CQSZACIVSA-N 433.534 1.664 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CCN(c2ccccc2OC)C1)[C@H]1CCS(=O)(=O)C1 1689982897 WVUUWYATQIWHIQ-MOPGFXCFSA-N 443.573 1.748 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1689990542 PQGMXCIUEKYHQQ-ZWKOTPCHSA-N 445.545 1.598 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(C)c1 1689999414 AKHYGZLRRRZTJZ-MSOLQXFVSA-N 429.546 1.737 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)F 1690100761 ANQFKTFHDLXLPL-UHFFFAOYSA-N 430.456 1.887 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2oc(CC)nc2C)CC1 1690135443 XGYPAEKTHLIKHV-PXNSSMCTSA-N 428.537 1.664 30 10 IDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN(CCOC)C(=O)C1 1690176956 FDBYAUYZRBOROV-UHFFFAOYSA-N 427.574 1.839 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC)CC1 1690238636 LVVDWCNXLDVQDL-KURKYZTESA-N 437.541 1.872 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690670389 AQTRQHBIFPDFSS-CQSZACIVSA-N 447.927 1.575 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2cccc(C)c2)C1 1690684349 DMDDBZOXHLYCFC-IBGZPJMESA-N 440.548 1.936 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695039980 OULGHCWTNVAGIW-HRAATJIYSA-N 425.493 1.315 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cc1OC 1696125319 DHKWPLSOAXAPAO-JIGPKXGUSA-N 443.504 1.621 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1705510690 WERVADIXSQFOHP-MRXNPFEDSA-N 448.549 1.247 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705587753 HSXNZXWYGNYCDA-WOZUAGRISA-N 443.592 1.963 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1COCCO1 1705622872 XUIOWFSMVZVKPZ-OAHLLOKOSA-N 438.326 1.548 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@H]2CCC[C@H]12 1705737586 VWGKPNKKXQXSJY-ULQDDVLXSA-N 439.582 1.438 30 10 IDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1705764032 LOGIFEPCLBVYCH-NRFANRHFSA-N 429.525 1.628 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1705805765 NYWVBGCAFFHETO-IAGOWNOFSA-N 441.598 1.971 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705846964 ZOOSWCKIVBUTAE-MOPGFXCFSA-N 447.609 1.966 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1706075225 KYISIDDDFUJRGL-CRAIPNDOSA-N 439.520 1.031 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706108059 OBSWZWXQWJOYNJ-RAJOGRCSSA-N 441.536 1.303 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(F)(F)Br 1706850809 WVBXYKOKSONZPJ-BDAKNGLRSA-N 429.291 1.614 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COCCO1 1711072539 DPBACMFOANCFCT-GOSISDBHSA-N 433.472 1.849 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCC[C@@H]1NC(=O)NC1=O 1711074083 SOFNKOULDYCFSD-IBGZPJMESA-N 444.499 1.760 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCCN2CCOCC2)CCO1 1712886177 KTQTWCRAXBUMNW-SFHVURJKSA-N 444.511 1.837 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722358534 CRBOCEDTZHCOIN-WBVHZDCISA-N 447.561 1.778 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1722362825 CCZSSXSLZWUWRB-IBGZPJMESA-N 432.546 1.677 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(C)=O)CC1 1722432875 HYWNUNKECYTORW-UHFFFAOYSA-N 432.475 1.828 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@H]2C)CC1 1722442365 YWTPAHZGZVAEJM-QZTJIDSGSA-N 442.589 1.697 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722703284 XZDIMEQSGVENGT-SVMVAKDDSA-N 443.552 1.215 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1722730604 XBXJCUIBICOFIN-UHFFFAOYSA-N 449.537 1.778 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)CC1 1722784233 LVZVIUNTRZKEIA-FQEVSTJZSA-N 438.532 1.928 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CC(F)(F)CO1 1723925726 MORIRXKUMRYSBC-JSGCOSHPSA-N 432.497 1.443 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOc1ccccc1 1723935140 MHNYLTFPNZWDLX-DNVCBOLYSA-N 436.513 1.799 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1729694117 ZMXSHPSKPZCLIW-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCCS1(=O)=O 1730928747 AHJOBYAXKQOMJS-QAETUUGQSA-N 425.555 1.708 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)F 1730949971 VWZGNRJPPIPGEL-AXHNFQJDSA-N 426.468 1.513 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740596166 VJEARLKVGGMTRI-MRXNPFEDSA-N 435.525 1.928 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1740628251 WUVCFIOYPGHZFY-KXBFYZLASA-N 426.608 1.361 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1740642967 ASLZNOKLXNVBTH-LJQANCHMSA-N 444.539 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1740655404 AVOGQTHWVWRQCC-LSDHHAIUSA-N 432.468 1.611 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NCCc2ccccc2)CC1 1740692090 RTYVAJQNMKUXMW-UHFFFAOYSA-N 432.528 1.961 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)ccc2C)CC1 1740958137 IXCUCKCSQDKISI-SFHVURJKSA-N 437.548 1.475 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(C)=O)nc2)C1 1740979811 LMLHJGQCLPJCGL-IRXDYDNUSA-N 425.493 1.412 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)CCOC1 1741732808 QEGPIXXRVMAEJM-UWJYYQICSA-N 432.525 1.106 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1748785489 YXZNYCAFJDQXDL-HNNXBMFYSA-N 435.488 1.158 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1748790195 FXZOKKFEBIMJNR-LJQANCHMSA-N 427.574 1.349 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1748887865 HRXLMGMXBMHPEG-LJQANCHMSA-N 439.541 1.285 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NC(C)C)CC1 1748984981 YFYRKLSPRLSSFP-UHFFFAOYSA-N 426.521 1.242 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1749115112 LOMXXVFNAFFQJK-MJGOQNOKSA-N 432.569 1.750 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749269044 MBVROSBCCACFQI-JKSUJKDBSA-N 429.974 1.929 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749679793 BDDRZQQKSULFTD-KRWDZBQOSA-N 444.511 1.651 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CCC1 1750190698 IBCUEAYAFMYSDK-UHFFFAOYSA-N 428.518 1.110 30 10 IDEE CC1=C(C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1751330440 IUMYDCUMESGABA-LZICOFPGSA-N 425.493 1.302 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1752362388 RICKNTKTUUCHRS-NEIYXTIMSA-N 432.550 1.639 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1760184434 XFFDZYGVRXAYRY-QAPCUYQASA-N 429.546 1.566 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760211760 LSPFHUBMSSWVIX-OFNKIYASSA-N 440.569 1.833 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1760246218 MSCBPRYJNSAOIT-UHFFFAOYSA-N 427.505 1.322 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCN(C(C)=O)CC2)CC1 1760404298 ZHOVBCLAVAGGEA-UHFFFAOYSA-N 445.612 1.763 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760527867 KUBCJOJARNLSBA-CVEARBPZSA-N 447.879 1.927 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCSC1 1761037186 WRFSCYYWJDAKJC-OAQYLSRUSA-N 427.578 1.938 30 10 IDEE C[C@@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CC(=O)NCC(F)F)C2 1761576465 QBDUFLYIGVTDEP-HXUWFJFHSA-N 445.430 1.229 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CC2)C1=O 1767444605 XOLLHUCZESZLLL-UHFFFAOYSA-N 437.504 1.500 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(OC)C2CC2)C[C@H]1O 1767919558 AERXMGXFQKBTEL-LYHRCORUSA-N 439.516 1.992 30 10 IDEE CN(CC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768609326 KWXVPEGXWWTKAF-SQFISAMPSA-N 441.414 1.039 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770599536 IYFMTYLGWBAASH-ZJYNUGOYSA-N 426.477 1.988 30 10 IDEE COCCOC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCOCC2)CCOCC1 1771231313 LYWNZKCXCMTLIL-UHFFFAOYSA-N 427.505 1.866 30 10 IDEE Cn1cc(C#CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 1850050191 PRRHOCGIUPUOGX-QGZVFWFLSA-N 440.447 1.760 30 10 IDEE C=CCCN1CC[C@@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1854238887 UFXHGWDKZKBQDW-QGZVFWFLSA-N 439.965 1.435 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1c(F)cccc1F 1854604327 MVHLABSCYLUKEV-ZDUSSCGKSA-N 433.436 1.827 30 10 IDEE COc1cccc(C(=O)/C=C/C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 1866233023 KGWFSJNKHGPIMF-SINXNMPMSA-N 447.447 1.834 30 10 IDEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCOCC1 1870356989 VYIDNKGLTAUVPL-UHFFFAOYSA-N 437.581 1.918 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712380 CKUYIZOQUIUQRA-UHFFFAOYSA-N 426.521 1.983 30 10 IDEE CCOc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874336205 AGBAKGNXYDFPDD-GTQIFZCBSA-N 430.534 1.861 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(OC)cc(OC)c3)CC2)CC1 1890307547 GADWOEOUWGZIGU-UHFFFAOYSA-N 443.588 1.895 30 10 IDEE C[C@@H](CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)N(C)C(=O)OC(C)(C)C 2243664303 LOPKQGGCOFHXKV-NSHDSACASA-N 426.348 1.843 30 10 IDEE COCC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2255630108 FYRHGTLMXBHARF-CYBMUJFWSA-N 438.334 1.369 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)c2)OC1(C)C 2255711299 XJGGEKHNBAXWRH-LBPRGKRZSA-N 429.248 1.845 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255713202 XUWJIHQUJPGQQI-DZGCQCFKSA-N 436.314 1.943 30 10 IDEE Cn1cc(C(=O)N[C@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1 2256924950 PWLXEWGMPGYCJJ-MRXNPFEDSA-N 429.282 1.119 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267113129 PNWUTCBMRZWDCQ-UONOGXRCSA-N 449.361 1.680 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267192527 SAJNCRWTZWTCLP-AAEUAGOBSA-N 444.263 1.391 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267588494 MNCWZWCFNKTHOH-QWHCGFSZSA-N 441.259 1.910 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)CC[C@H]1NC(=O)C(F)(F)F 2267596525 KBDXEZAYWYQQSF-GXTWGEPZSA-N 443.275 1.853 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)nc2)OC1(C)C 2269068325 GPPKANSURYPMGX-KRWDZBQOSA-N 441.293 1.566 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2315534354 RSQBJTPUVONZLQ-KRWDZBQOSA-N 430.236 1.002 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccccc1[N+](=O)[O-] 2330785670 JLCJDFGIJFENGV-UHFFFAOYSA-N 434.478 1.996 30 10 IDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 9984138 WQDGJGQKFQJOTP-LJQANCHMSA-N 428.533 1.903 30 10 IDEE C=C(C)CN(CC)C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 26414719 CPXGHDHRTJRVLT-UHFFFAOYSA-N 426.539 1.395 30 10 IDEE COC(=O)c1c(C)oc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C#N 170493341 UCLJHHOTWUGAKU-UHFFFAOYSA-N 426.341 1.779 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)ON2C(=O)CCC2=O)C1 202388910 FPDZGWHKUROJRB-GFCCVEGCSA-N 427.454 1.450 30 10 IDEE C[C@@H](C(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)n1cnc(C#N)n1 409467483 ATEYBSDFWATRIT-INIZCTEOSA-N 434.479 1.888 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(COCC(F)(F)F)c2)CC1 442291452 COOARZIUHHGKAO-UHFFFAOYSA-N 428.455 1.895 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 460549144 FEURZUACXMKCRC-HZPDHXFCSA-N 434.570 1.360 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C 471704372 CZXPTSBHMOCPHP-UHFFFAOYSA-N 444.561 1.186 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CC(=O)N3CCCC3)C[C@@H]3CCCO3)cc2C1=O 495850075 QLMFJXPSSUKRTR-KRWDZBQOSA-N 425.485 1.712 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 503606449 FCRZSCMDYXJJBV-IQMFZBJNSA-N 441.484 1.772 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 504035369 GWHJIWLBYZPYHP-UHFFFAOYSA-N 440.544 1.706 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](Nc2ccccc2)C1 508497902 OGDXBVQZQZJXSZ-RBUKOAKNSA-N 446.577 1.878 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1C[C@H]1CCCO1 519282343 ZISRIOWTEXFZHZ-CQSZACIVSA-N 447.919 1.687 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 537172678 SNTHXMBGEQWCJD-RTBURBONSA-N 445.589 1.028 30 10 IDEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543925333 RUMZTIOAICCCIC-HNNXBMFYSA-N 428.880 1.853 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 546777061 YTSJGLWWIOTZJF-UHFFFAOYSA-N 426.564 1.130 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)CCCCN3C(=O)c4ccccc4C3=O)CC2)c1C#N 557013287 ZIXGHCGTCPBDQV-UHFFFAOYSA-N 434.500 1.715 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)C2)nc1 557474397 LEOYYIBYDQILGF-CQSZACIVSA-N 440.261 1.985 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)CC3)CC1 560729919 VDKXGACBMMXCKO-INIZCTEOSA-N 440.935 1.788 30 10 IDEE COc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589361188 MBMBDJAKZHWKBK-UHFFFAOYSA-N 428.514 1.630 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@H]1CCCO1 603800424 VUYRAZCNTCPGIN-GOSISDBHSA-N 441.553 1.053 30 10 IDEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 603911394 FOKBZUXPTGMZAJ-UHFFFAOYSA-N 438.488 1.077 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)n(CCC#N)n1 611644854 VANVCNZBKZNTRS-QGZVFWFLSA-N 444.517 1.477 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)Cc1ccc(C)o1 685549303 DWUNVXXOHBELIK-KRWDZBQOSA-N 439.538 1.351 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c(F)c1 729884331 JSCHDRHTLHVSMG-UHFFFAOYSA-N 429.839 1.542 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cc(Br)c(F)cc1F 731851105 HIJREWDYZQEWGL-BUHFOSPRSA-N 436.234 1.532 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCN1C1CC1 732706768 OHMPBWBOYQNVSI-HXUWFJFHSA-N 427.574 1.415 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 733979866 FSWZCACZPYAOMP-UHFFFAOYSA-N 442.497 1.793 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 735116173 CAOZIJGPJNGCLZ-XTQSDGFTSA-N 435.484 1.799 30 10 IDEE COc1ccc(COC(=O)[C@@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C#N 747021951 ASXZLBXYTRVNIJ-CQSZACIVSA-N 445.497 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 760676950 YJYGQWOLMDMWFF-UHFFFAOYSA-N 443.552 1.338 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCN(c2cccc(C#N)n2)CC1 760854284 SGQHHXIDVHLNGX-QGZVFWFLSA-N 442.520 1.118 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cc[nH]n1 772251226 CCBRZXFIUFEJLG-AWEZNQCLSA-N 449.458 1.753 30 10 IDEE C#CCN(C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 774195875 DMQNWRDHECMKKA-XLIONFOSSA-N 446.573 1.836 30 10 IDEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 775135280 WPPURAITWPSVJB-SJORKVTESA-N 427.567 1.902 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 784544973 DLMKCZBGHBVSBB-ZACQAIPSSA-N 441.513 1.999 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C[C@H]1CCCO1 802682463 VFYCQHVLBQANHW-GOSISDBHSA-N 445.545 1.214 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)NC2CCN(CC#N)CC2)cc1 806746405 RMLMKCMAWUBNOO-OAHLLOKOSA-N 431.493 1.104 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)c(C(F)F)n1 812279875 VPMHCMQJEUCWGH-UHFFFAOYSA-N 445.451 1.489 30 10 IDEE C#C[C@H](NC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12)c1ccc(F)cc1 812747666 AZBIPGXXHONNRI-AWEZNQCLSA-N 428.497 1.527 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cccc(C(F)(F)F)n1 814419171 OOXNKZPGGJTPFI-UHFFFAOYSA-N 426.420 1.888 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1165499131 XGGGFMBPJJRZSX-TYPHKJRUSA-N 425.460 1.394 30 10 IDEE C=C[C@H](CO)NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1167654466 FQZNYPPXCRTAOH-AHIWAGSCSA-N 445.969 1.398 30 10 IDEE CCCCc1ccc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)cc1 1180988389 DMWYLQIVYQQOMV-MRXNPFEDSA-N 435.484 1.600 30 10 IDEE C#C[C@@H](NC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12)C1CCOCC1 1184040646 FYXOEJKUZBDUKF-QGZVFWFLSA-N 437.525 1.867 30 10 IDEE CC(F)(F)CN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1198140800 NGWFWEOUHDOMGZ-UHFFFAOYSA-N 448.474 1.728 30 10 IDEE C=CCC1(O)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 1222301686 WOWYZXSRFSCADI-UHFFFAOYSA-N 437.562 1.461 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 1225748317 AQYBDDCHDYDBON-FQEVSTJZSA-N 428.514 1.973 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CCSC)C(N)=O 1279530652 FGVNFPGDJUZPCO-LBPRGKRZSA-N 430.324 1.821 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1286396796 ICYAZENIPVVAAS-MRXNPFEDSA-N 443.529 1.171 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(C)nn(C)c1C 1286401375 LJMVOVQPTRKQLW-UHFFFAOYSA-N 436.541 1.820 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1286426193 NCZGXZSGPZQFES-UHFFFAOYSA-N 444.495 1.810 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286493418 ALAPXHONJLDFAP-GOSISDBHSA-N 446.621 1.570 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286494607 VSUFEWYNTSRFOI-MSOLQXFVSA-N 442.564 1.400 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1286688621 RQNVSUOLUPNVAD-IRXDYDNUSA-N 441.598 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286818884 RKDHRSVOUAAMSE-SFHVURJKSA-N 443.533 1.252 30 10 IDEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)s1 1290696776 ZWAWKIGMEXDRBG-UHFFFAOYSA-N 431.547 1.896 30 10 IDEE CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293867406 BKKXFSKFMOMVPG-RJCBAWPRSA-N 443.552 1.913 30 10 IDEE CN(c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1298133897 GILUETRUZHIAMA-AOMYARPXSA-N 426.452 1.836 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Br 1300430055 GNWFTKMISSJCQK-LBPRGKRZSA-N 426.340 1.769 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300479275 KROBIKLSPVBNRZ-MRXNPFEDSA-N 447.586 1.445 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1300563484 KLBOYNYTGNEPEQ-UHFFFAOYSA-N 436.472 1.565 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1F 1300671594 LNFYBEGSIZAZJO-MRXNPFEDSA-N 438.500 1.787 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1300805513 GJKOJYDHWXBCKC-GHTZIAJQSA-N 433.578 1.431 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300883850 FUSQPISBTQPZLB-DMUMMCEESA-N 432.569 1.367 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300894507 DIEULAXDHOVFEP-ABSDTBQOSA-N 440.566 1.146 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCO[C@H](C)C2)CC1 1301086948 PYLNQBJGDXUWEZ-SQNIBIBYSA-N 439.582 1.583 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1301297602 QXZSULYIBVRMEL-MHTXLSKPSA-N 427.571 1.977 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)C1 1301535031 HFBATZSARNXJBX-JKSUJKDBSA-N 439.520 1.621 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)C1 1301554563 IIKSWRFRGHNRIU-RBUKOAKNSA-N 431.585 1.038 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1302286370 GQENCQNTKJEEQN-DKICVRJWSA-N 432.504 1.839 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC(=O)NC2CC2)CCO1 1303004924 VJSHXBPPQNSDLI-OAHLLOKOSA-N 430.459 1.935 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 1310008729 JDNLXUQCAMTNHI-UHFFFAOYSA-N 428.539 1.765 30 10 IDEE N#Cc1cccc([C@H]2CN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CCO2)c1 1313273447 MSGNKWJJAGPIMO-HXUWFJFHSA-N 435.484 1.074 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1314870309 PCAHMILYEWTWQA-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1316010208 OHTAHCVXIJNOGS-UHFFFAOYSA-N 426.525 1.436 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1358956541 HGIXSDZIULYMSL-YIOZNXECSA-N 426.514 1.087 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1358962066 JSHDZVZGLTVEFE-MSOLQXFVSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1358985466 ZJANEFYNXLBZDB-HSALFYBXSA-N 448.637 1.719 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N(C)C 1359015984 LBHYKAWALWKPJC-UHFFFAOYSA-N 443.508 1.405 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@H](C)OC)n1 1359018630 XIWHSSJMNSLURD-HNNXBMFYSA-N 432.550 1.812 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1359070619 QEYBTQGVRMMNKY-BBTUJRGHSA-N 435.594 1.141 30 10 IDEE C=C(Br)Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1359088336 IDXCXCRQCDQZMS-HNNXBMFYSA-N 437.360 1.320 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1359132246 RJFXIUKUWXXGBH-LJQANCHMSA-N 432.569 1.371 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359135672 LAPXKLCXOQNXHQ-GOSISDBHSA-N 429.525 1.305 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CCC2)CC1 1359158932 IOTGEXXFASBODU-CQSZACIVSA-N 431.584 1.012 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc2c(c1)CCO2 1360644653 CPYPBCXINFSJIU-HUUCEWRRSA-N 432.550 1.804 30 10 IDEE C#CCN(CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)OC(C)(C)C 1441945133 JKYDCFORPKPKHB-GOSISDBHSA-N 428.533 1.875 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1451179394 LJRQHDQYYROODV-CYBMUJFWSA-N 445.335 1.821 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)cc2C1=O 1456333363 LPFPBLQAXBNUCT-JOCHJYFZSA-N 429.473 1.570 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)C2=O)cc1 1470032386 HIOOAOFZISOALZ-UXHICEINSA-N 438.509 1.628 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1478734620 CSUNOSMJSXRFBO-SFHVURJKSA-N 435.569 1.195 30 10 IDEE CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1478829781 SBOVIQATJAXYNZ-GUYCJALGSA-N 445.950 1.213 30 10 IDEE C[C@@H]1CC[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493429728 LVNWHXQMJWWTKK-ZEVGMECHSA-N 441.536 1.552 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1502122849 KDKXFDPIDDNRNC-XOMICKMZSA-N 439.520 1.815 30 10 IDEE CN1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1503678799 IFZDAUUNZJFCMI-HSZRJFAPSA-N 438.580 1.527 30 10 IDEE COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504859028 QLIBTZDATKDHEY-IBGZPJMESA-N 429.594 1.685 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1505322704 SOCRCQJNWLQDNG-PKOBYXMFSA-N 435.463 1.552 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC 1507520522 OXZOZCUCEWOSNO-NSHDSACASA-N 429.344 1.053 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1507591370 KZIHGBUCMUNDIO-ROUUACIJSA-N 439.582 1.072 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCN(CC)CC1 1507612125 RFLHXOZUUAUXBJ-KRWDZBQOSA-N 427.553 1.349 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507623658 VFPNFUIXHYSZSF-KRWDZBQOSA-N 438.594 1.788 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507632292 YMKPHWOAUPBFOV-NEWSRXKRSA-N 429.546 1.639 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N(C)C 1507643906 VVHFYIBNCYYAGR-UHFFFAOYSA-N 425.489 1.522 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCSC2)CC1 1507735678 FBXAIXHRCIIAAS-JTSKRJEESA-N 447.605 1.649 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1507738932 IMCXXTQJXOPKHD-VQTJNVASSA-N 442.608 1.868 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507751608 PWAGPCMNPJERFJ-IBGZPJMESA-N 446.621 1.283 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1507817587 RLFBEJFDSBAJIB-OAHLLOKOSA-N 431.566 1.919 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F)C1CC1 1507988156 JTIHCJZDIAEGPG-UHFFFAOYSA-N 439.488 1.885 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)CCC)CC1 1508137556 NLAZFSWEFFNMLR-UHFFFAOYSA-N 446.577 1.826 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1509767714 JDYHKMJNOMTCEG-IBGZPJMESA-N 441.536 1.679 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C[C@H]1C 1519205865 GTEUOHSIOCSOQU-AUMHUTNHSA-N 442.589 1.885 30 10 IDEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCCCC1 1536229947 OKPLOUUBYQYUCW-UHFFFAOYSA-N 431.558 1.995 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)Cc1cc(C#N)cs1 1536583566 RSUYMMHPVSCVCK-UHFFFAOYSA-N 435.527 1.921 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCOC(C)C)c1 1539046021 KPHNAACXRPASHI-UHFFFAOYSA-N 438.532 1.882 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1539239796 RABVOQMPEWSJMA-KRWDZBQOSA-N 443.573 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](COC)OC)CC1 1539431247 SCWQMMLAWQBCEH-QZTJIDSGSA-N 431.512 1.974 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC2(O)CCOCC2)CC1 1539461054 AAPHFONCOFGCHO-UHFFFAOYSA-N 439.560 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCOC[C@H]2CCOC2)CC1 1539483091 ZASKDFOBTQREAO-GOSISDBHSA-N 429.565 1.955 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539617218 UYTCZWIHBFNSJE-ULQDDVLXSA-N 428.541 1.915 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](N3CCCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876271 MDIMQGMNUYUFGS-CVDCTZTESA-N 446.596 1.686 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1541269636 BANXIMAIZFWGKR-FQEVSTJZSA-N 438.532 1.973 30 10 IDEE Cc1ccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1F 1542246311 FBIBYINPCURTRO-MRXNPFEDSA-N 436.451 1.341 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)s1 1543463490 JYZSBRDLPGRBNA-YHAMSUFESA-N 426.585 1.991 30 10 IDEE C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1544534936 NNCMSWWNQXJYPD-HCXYKTFWSA-N 432.569 1.789 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n[nH]2)c1C 1544674581 VWMVFOVQQXDCPL-OAQYLSRUSA-N 425.493 1.526 30 10 IDEE CCCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1547014121 LDODXCFITOAIKC-KRWDZBQOSA-N 436.538 1.750 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1554207740 AVWPQVDOWPVMLU-WMQDPJMESA-N 449.462 1.237 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOCC(F)F)c1 1555988364 YJDHDMXKSGLLRI-UHFFFAOYSA-N 425.461 1.723 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643043 KHYJWRDCVKORCD-XGHQBKJUSA-N 433.530 1.519 30 10 IDEE C#CCN(C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1565076621 OGZZEHWCXCQDCE-MSOLQXFVSA-N 425.938 1.377 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(F)c(C#N)c2)C1 1584182231 FUASEDRLRHZMLB-HNNXBMFYSA-N 425.482 1.851 30 10 IDEE CS(=O)(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C[C@H]1C(F)(F)F 1587261005 VEQXOMMJKMEJTK-BPLDGKMQSA-N 429.420 1.345 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)CN1CCOCC1 1587984774 LALPTYVGSPZRTQ-IBGZPJMESA-N 438.580 1.490 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1588280564 MUXQQYBWXQAWIR-UHFFFAOYSA-N 431.562 1.530 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)OCCO2 1588560806 VNAYHKBFGQKAOX-UHFFFAOYSA-N 439.516 1.614 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1588628482 JRHGHLOFXJTGRS-UHFFFAOYSA-N 446.515 1.543 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1610402600 ODTYRZBMXLOKHX-VOQZNFBZSA-N 433.553 1.989 30 10 IDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1613012075 AQKRYIZJKCGDQW-QGZVFWFLSA-N 444.561 1.018 30 10 IDEE CCN(C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1)S(C)(=O)=O 1616947168 UYBSFMJOZLVRDO-UHFFFAOYSA-N 441.594 1.909 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1617173946 CFXXDSYTHKAQCK-LJQANCHMSA-N 444.561 1.858 30 10 IDEE CS(=O)(=O)CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1620161745 VHVOBENLMRWASA-ZWKOTPCHSA-N 436.582 1.521 30 10 IDEE C#CCC1(NC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)CCOCC1 1624609269 CJZNSSPTSSFYSJ-MRXNPFEDSA-N 431.489 1.689 30 10 IDEE C[C@@H](CC(=O)NC1CCC(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1624913265 CMXYEEBCJOQUNG-NFOMZHRRSA-N 441.575 1.223 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)c1 1628141604 DDYGCOLVTKNIEZ-UHFFFAOYSA-N 445.520 1.537 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(Br)cc1 1628543798 ZLGKYAAZZXOXST-IAQYHMDHSA-N 425.308 1.340 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1F 1629556929 DCZWKJFFVWNGHD-STQMWFEESA-N 449.460 1.943 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC1 1629952698 OIURHDNFWYDJSD-NRFANRHFSA-N 447.605 1.254 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCNS(=O)(=O)c3cccnc3)n[nH]2)c1C 1631080828 UPQQRESMAWJJBP-UHFFFAOYSA-N 429.506 1.179 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 1633854057 ZJXZRMMVIYVPQS-KRWDZBQOSA-N 430.505 1.870 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)C2)nc1 1635415658 MXUDNIOAXXCXPM-INIZCTEOSA-N 430.468 1.628 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1635819243 KFFUHIUYQLZKHX-FZNQNYSPSA-N 436.534 1.830 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 1640915805 APXWBQWZANOHFC-SFHVURJKSA-N 430.482 1.685 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)CNc1ccc(C#N)cn1)OC2=O 1644966139 HFYWEVCQOCBZQB-INIZCTEOSA-N 443.504 1.814 30 10 IDEE C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1648066061 GDVGKBZXSRMXFF-UVXCQBEJSA-N 436.306 1.775 30 10 IDEE N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1648280213 UNHWFTBKGUIYQE-XKZABGERSA-N 440.319 1.262 30 10 IDEE Cc1nc(SC(F)(F)F)sc1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790221 AYOBOCNPMOTFQP-UHFFFAOYSA-N 431.421 1.823 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)cnc2N)cc1 1654103424 RDYWXRLLJRIVDJ-UHFFFAOYSA-N 425.308 1.821 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(=O)c1C#N 1654531283 SHQXDQXTAMIFEQ-RYUDHWBXSA-N 435.278 1.345 30 10 IDEE COc1cc(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(F)cc1C#N 1673295628 AZHMYRAYLHLADU-UHFFFAOYSA-N 427.440 1.356 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1673472496 NVVJZWYFAPLWHU-UHFFFAOYSA-N 433.463 1.753 30 10 IDEE N#C[C@]12CN(C(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)C[C@H]1CS(=O)(=O)C2 1680330793 DTSITQSIECRDKN-SUNYJGFJSA-N 442.463 1.864 30 10 IDEE CSCc1n[nH]c(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1684175221 LFADSQRBFXILLK-UHFFFAOYSA-N 437.533 1.961 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1684753753 UQQRKVUAMYCWOL-LJQANCHMSA-N 439.541 1.465 30 10 IDEE C#C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)C1CCOCC1 1687126159 HGHAILSFRXCXNP-ZACQAIPSSA-N 431.455 1.672 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1689847978 MLJOXIRMSFLDLK-NPMXOYFQSA-N 433.516 1.611 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](N1CCOCC1)C(F)(F)F 1689866486 DCKPXNOIQZJQRS-QZWWFDLISA-N 445.486 1.723 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)c1ccccc1 1689966185 MNATZEMTIVWBLG-MRXNPFEDSA-N 439.488 1.472 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689972487 QRKMYMYZGULHQX-MOPGFXCFSA-N 445.593 1.413 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689978452 VYRXDBNUTGGRPN-OWCLPIDISA-N 428.518 1.208 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1689988576 RULFRTHMUGHLFD-ZWKOTPCHSA-N 443.577 1.236 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689997007 UDXXTEQKPFGHKR-INIZCTEOSA-N 438.500 1.962 30 10 IDEE C=C(C)Cn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690297761 FXOORGJAUSPEBE-WZONZLPQSA-N 446.596 1.684 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690320268 OXSMFRJGMIKBGF-QGZVFWFLSA-N 427.571 1.583 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1)C1CC1 1690545621 VOFKZNQAFCXHOH-BEFAXECRSA-N 425.624 1.772 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1 1690613679 PXFDUDBIARQDNN-UHFFFAOYSA-N 430.534 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1690667607 AHRHYVXYVOLURT-UHFFFAOYSA-N 437.552 1.373 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690722359 GRGDCHLOYZHIOB-SFHVURJKSA-N 446.577 1.826 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H]1C 1690729346 MQKCVLVSPXXZTE-AWEZNQCLSA-N 439.563 1.096 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1690858919 GHLYLBQCQPPJEL-UHFFFAOYSA-N 446.515 1.738 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccco1 1696838896 IAAFRSKRUMUHDR-HXUWFJFHSA-N 429.502 1.798 30 10 IDEE COc1ccccc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1697592675 AVYPPZDMLVWNRJ-OAHLLOKOSA-N 432.550 1.880 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(COC)CCOCC1 1705549914 NCZHRMNLAURCLQ-UHFFFAOYSA-N 436.516 1.705 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1705559506 BPLIXDYMAGINCX-IAGOWNOFSA-N 445.593 1.785 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1705575368 IGMDARNWVPHXJD-ZWKOTPCHSA-N 440.500 1.584 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1705802749 VFYIAXPFKGVRLO-HSZRJFAPSA-N 448.612 1.743 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N1CCOCC1 1705847750 DUCGBNXQCUKTQH-CALCHBBNSA-N 448.568 1.920 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1705875831 HMIHXTJKONKRHL-LJQANCHMSA-N 447.561 1.330 30 10 IDEE CC(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706299825 VHYBKXKMHFZRMT-JQIJEIRASA-N 442.442 1.822 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1710894633 RSPDXNKMZFCCEL-OAHLLOKOSA-N 443.533 1.485 30 10 IDEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1711184265 JPZKKZYBKFIQDE-UHFFFAOYSA-N 445.574 1.891 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712882954 PDVXCAABKRAKOK-KDDVOAFDSA-N 425.493 1.786 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccc(C)s1 1722356805 LXUQBGZGBBFXQE-UHFFFAOYSA-N 447.590 1.558 30 10 IDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722356889 VXSHOJOBHCRNOY-UHFFFAOYSA-N 432.546 1.081 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N1CCOCC1 1722374678 AMFPJVXTIMXXPA-UHFFFAOYSA-N 443.454 1.868 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722450973 DVLXBSVLYOOGQY-OAGGEKHMSA-N 427.596 1.260 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722604184 VKXAUIVZRNEQEU-RBUKOAKNSA-N 448.593 1.947 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 1722701190 JCAHLNPRHFCDPH-KRWDZBQOSA-N 426.521 1.164 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cnccn1 1722750823 PDJWSJUZSXODOH-UHFFFAOYSA-N 428.518 1.981 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1728647414 BGFCMLBCWHTQAB-UHFFFAOYSA-N 436.564 1.986 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1729556843 NQSHBNANOAZOEJ-GOSISDBHSA-N 433.534 1.493 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1740626194 KEORIYJZALOAJR-JKSUJKDBSA-N 435.937 1.505 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1740639775 FPZIRWAITSTSKX-VJANTYMQSA-N 431.562 1.120 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1740708429 PFYOQYIFGXTACF-UHFFFAOYSA-N 448.571 1.855 30 10 IDEE C=CCCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740864139 FQOQCZOGGVRVKR-QGZVFWFLSA-N 426.496 1.511 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740961689 HQNBHMZMSUNOIJ-NRFANRHFSA-N 445.593 1.237 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2C[C@H]1CO2 1740988182 WIARXWSTJFQISJ-IRXDYDNUSA-N 433.490 1.822 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCNS(=O)(=O)c1ccccc1 1741648528 BEAAHAFEXPJQRG-UHFFFAOYSA-N 445.549 1.135 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1745341874 NVEGJUWUZCBTMV-RWNPKEDZSA-N 437.504 1.872 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1745878383 PUFJBJHCRCCNDF-CYBMUJFWSA-N 436.314 1.253 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1748863721 FHYAIPNCCIAFMD-GOSISDBHSA-N 434.610 1.473 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC(=O)NCC(F)F 1748956989 QVIUZVYQCJOXLI-UHFFFAOYSA-N 428.443 1.961 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1749065780 BIXOCYPURFIXKG-SQGPQFPESA-N 437.566 1.030 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749717380 KFNJESDPYIZGCP-SFHVURJKSA-N 438.594 1.732 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750680312 DFXOKCAZPYNCSO-JFWRZSAESA-N 444.536 1.560 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1760137063 FFLZWDIJRWZDNC-OALUTQOASA-N 437.610 1.531 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1760192076 QDUDFGJENIIURG-MRXNPFEDSA-N 447.586 1.331 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1760219370 CEZSSBCPEYODFA-LVIWNVNYSA-N 445.589 1.654 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCCC(C)(C)C2)CC1 1760256763 KLIYZUJCSUGGCX-FQEVSTJZSA-N 432.613 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCn2cncn2)CC1 1760271050 KBVAUPDOYYIZJZ-UHFFFAOYSA-N 448.531 1.423 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760347549 JCLIUVNQMUXMEW-OAQYLSRUSA-N 437.548 1.325 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H](C)C(=O)NC 1760523247 RAMDSGHSEYQFMF-INIZCTEOSA-N 436.520 1.251 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC([C@H]2CCCO2)CC1 1760553756 HUGIXOILWQQVTC-GOSISDBHSA-N 432.550 1.731 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760562361 HBYSUWHUFWHOJL-UHFFFAOYSA-N 427.534 1.780 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cs1 1762284181 QKOYICSGULBWII-IBGZPJMESA-N 433.513 1.325 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)N(C)C 1766449940 KNIFALBHLAWVRW-MSOLQXFVSA-N 432.550 1.450 30 10 IDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1768018765 SPEGLDIMNBWREI-INIZCTEOSA-N 439.520 1.025 30 10 IDEE COC[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1769193388 DCCFUPYIOISRLI-PBHICJAKSA-N 432.912 1.873 30 10 IDEE COCc1nocc1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1769393093 BSQJZXQDNDVHDW-QGZVFWFLSA-N 428.424 1.908 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)C1CC1 1769819095 HPLNMFOPGSCZDF-CVDCTZTESA-N 438.532 1.915 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1771272618 OGXVLEVMIXZTAY-SFHVURJKSA-N 425.493 1.036 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1772567321 OSAMQKJRTHTGQQ-IBGZPJMESA-N 446.596 1.949 30 10 IDEE Cc1ccc(-n2c(C)nn([C@@H](C)C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2=O)cc1 1851176648 UVTXDXTUFYVJLF-INIZCTEOSA-N 432.488 1.222 30 10 IDEE Cc1nc(C(=O)N2CCN(CCCS(C)(=O)=O)CC2)c(C#N)c(C)c1Br 1852085795 QUQKAPIOQNOVMJ-UHFFFAOYSA-N 443.367 1.525 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 1852562164 WYTQCSVGAIHNNI-UHFFFAOYSA-N 444.495 1.542 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3cnnn3-c3ccccc3)CC1)OCO2 1852929212 WUYMNTDAUPRNBP-UHFFFAOYSA-N 430.468 1.755 30 10 IDEE C=CCN([C@H]1CCN(C(=O)c2c(OC)nc(C)c(Cl)c2C)C1=O)[C@@H]1CCN(C)C1=O 1854156805 DTNPINYOAXMKGE-CABCVRRESA-N 434.924 1.820 30 10 IDEE C[C@@H]1C(=O)N(C(=O)COc2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)CC#N 1854783654 JILGJXICSWYOIC-MRXNPFEDSA-N 427.482 1.645 30 10 IDEE COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@H]1C 1855909167 WHLFDIHTQDJDMS-CYBMUJFWSA-N 431.445 1.768 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858335376 LMUUKTXVFBYHQX-MRXNPFEDSA-N 435.527 1.617 30 10 IDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OC)cc2)C1=O 1863672102 AYAMRGOBQSIEBW-UHFFFAOYSA-N 427.482 1.398 30 10 IDEE O=C(NCCCN1CCCC1=O)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933295 CQLNAEQBBHWKKO-FQEVSTJZSA-N 440.525 1.595 30 10 IDEE CN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCOCCO)CC1 1870350279 XQVDIPHLTPWFRZ-UHFFFAOYSA-N 426.517 1.055 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)cc1O 1874433786 YFHKPFFASIYNQI-IFRROFPPSA-N 447.502 1.395 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccncc4)n(C)n3)CC2)CC1 1889437305 PEXXJIZOCVYGEC-UHFFFAOYSA-N 436.560 1.354 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1985006835 JCGPJSBFYZKRDE-OAGGEKHMSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2085301331 IWTIPMUBDZXUFX-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE Cc1sc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C#CCO)c1C 2229366763 ISQOHAUWWLQVRP-UHFFFAOYSA-N 432.523 1.424 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2232271661 UJWRCOJLDPPAMZ-UHFFFAOYSA-N 446.357 1.730 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2255603771 IKBKCZXMOCFVOO-AWEZNQCLSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NCCOCCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255618584 IDFSVLULJXMKAQ-UHFFFAOYSA-N 438.334 1.370 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CC1 2255665431 GFMQYGILZQNZDV-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2255676765 WNUFQCGGSPZUOK-UHFFFAOYSA-N 429.248 1.558 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2 2255815413 NMPYEGDVAHPJDV-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE C[C@@H](CCOCc1ccccc1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2255949463 YTYRYENIQJCGPT-INIZCTEOSA-N 449.382 1.993 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 2267270791 NPQCPCSAVHPKDV-MRXNPFEDSA-N 449.357 1.378 30 10 IDEE Cc1nn(C)c(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2267507686 SIJYVLRYXYXFPE-UHFFFAOYSA-N 449.361 1.225 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2267526713 WRBOLVJITYMFDV-UHFFFAOYSA-N 439.369 1.432 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267543971 NIUIETGXNUCOBT-KBPBESRZSA-N 449.361 1.680 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268652434 GZJNFBUWNXGIJP-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE C[C@@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282831250 HCABBUWEWJVUTN-UVJXUPGXSA-N 442.821 1.834 30 10 IDEE CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NOCCN 2297732157 IBTISPLPBBHVSU-QHCPKHFHSA-N 434.452 1.389 30 10 IDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)CN(C)C(=O)OC(C)(C)C 2315601831 JFECIMIZRNUCQF-AWEZNQCLSA-N 436.362 1.952 30 10 IDEE CCCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1OC 2330743777 PPNVLOKUQNGQNI-UHFFFAOYSA-N 448.549 1.951 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2337197987 DOUMWFNVSYVHLQ-QLFBSQMISA-N 446.357 1.705 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 15544629 BDJUUOIHHCGRRR-UHFFFAOYSA-N 428.470 1.232 30 10 IDEE COc1ccc(CN2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254898611 VYZNWSCIJXVDMZ-CABCVRRESA-N 426.516 1.547 30 10 IDEE C=CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 410070576 NDSUFGLZHNIVCF-MRXNPFEDSA-N 434.562 1.734 30 10 IDEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(-c2ccoc2)n1 436274911 NKOJZHCCYWJOMD-UHFFFAOYSA-N 425.470 1.698 30 10 IDEE N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)ccc1OC(F)(F)F 443154165 FVDQNIJPSJDVGD-UHFFFAOYSA-N 441.387 1.985 30 10 IDEE C=CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N3CCC(N(C)C)CC3)no2)c1 445612043 ICXXFBSCKJKNRX-UHFFFAOYSA-N 433.534 1.296 30 10 IDEE CCn1c(=O)c(=O)n(Cc2ccc(C#N)c(F)c2)c2cc(S(=O)(=O)N(C)C)ccc21 478540847 UIAVKBUVFZGFDS-UHFFFAOYSA-N 430.461 1.492 30 10 IDEE CCOC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 481496516 WZWTVZYGGJLSEL-APWZRJJASA-N 443.525 1.763 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C[C@@H](O)CN3C(=O)c4ccccc4C3=O)CC2)c1 501992892 XIDNNTJKZDVNEI-LJQANCHMSA-N 432.480 1.866 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC2CCCC2)CC1 508885458 PWNQHKGAALKCAZ-GOSISDBHSA-N 439.582 1.725 30 10 IDEE C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508934462 KAJYDKICKKNDSD-UHFFFAOYSA-N 449.559 1.448 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1 514412720 RJETYFNTTCHLMR-UHFFFAOYSA-N 427.549 1.693 30 10 IDEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546877148 PAEIVTWDXADJNE-INIZCTEOSA-N 427.530 1.992 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)C2=O)cc1 549190981 SWVOUAZGLSOPMK-SLFFLAALSA-N 426.517 1.526 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 549327029 KQKDSBKOLNAAQU-MSOLQXFVSA-N 425.599 1.693 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3C[C@@H]3CCCO3)CC2)c1C#N 549855246 PXAFFENAQKDTTP-KRWDZBQOSA-N 433.520 1.759 30 10 IDEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N(C)CCOCc1ccc(C#N)cc1 558176360 RGRXXQMREBEVTH-SJORKVTESA-N 444.557 1.920 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cc1 603785860 AEFDGNUAFIVDOJ-UHFFFAOYSA-N 435.480 1.828 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(F)cc1 603785957 BUFXPSNUBMKKNP-UHFFFAOYSA-N 441.484 1.677 30 10 IDEE O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NCCN/C(O)=C1/N=CC=CC1=O 735116325 HRDKXQJXWKVFEP-LNVKXUELSA-N 434.452 1.851 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 741392541 PQFUVMLYHQRURH-HGSNWSKYSA-N 438.506 1.295 30 10 IDEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742408472 HAQDSKKICWLPMV-INIZCTEOSA-N 442.541 1.884 30 10 IDEE C#CCN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 744397216 DREUHFULMCZALA-AABGKKOBSA-N 436.574 1.606 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)C[C@@H](C)O3)c1=O 758049599 IIKRBIVMLQJARL-CQSZACIVSA-N 434.517 1.747 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)nnn1-c1ccc2c(c1)OCCO2 760400281 IVJPKBZVFUTFCW-UHFFFAOYSA-N 445.501 1.881 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccc(F)cc3)c2=O)cn1 772280382 VSAMNYXVEDACFI-UHFFFAOYSA-N 449.511 1.897 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1cc[nH]n1 772518976 BBSQBRPATJRSSW-BEFAXECRSA-N 447.879 1.435 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cncc3ccccc23)c1=O 772897403 GPBWAAKCZMBTIN-UHFFFAOYSA-N 448.573 1.722 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC(C)C)[C@H]2CCCc3cccnc32)c1=O 774614554 SMRHQGFSZSFRAT-IBGZPJMESA-N 425.533 1.932 30 10 IDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCN(c2ncccc2C#N)CC1 778556514 DWYJSWFPBAYAKJ-UHFFFAOYSA-N 443.454 1.861 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 780713175 HHLGXUVTNCNSBN-GFCCVEGCSA-N 449.348 1.219 30 10 IDEE Cc1csc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1I 786944501 GBYJZQJOKZHWKH-QBFSEMIESA-N 431.255 1.917 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)n1 789173722 BCRHWRORTLXWKY-JOCHJYFZSA-N 425.533 1.441 30 10 IDEE C#CCN(C(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 807551540 VKFLJPONAJGWPE-OXJNMPFZSA-N 443.566 1.234 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 811453993 VGUPHWNFIGLPDP-MSOLQXFVSA-N 430.480 1.980 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CCOC 812163723 IXHRVPKVZACMQS-UHFFFAOYSA-N 427.530 1.449 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 918819448 RKIFXOZZSDEWSH-DLBZAZTESA-N 449.529 1.219 30 10 IDEE C=CCN(C(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)[C@@H]1CCS(=O)(=O)C1 1142059770 YYYLVRHDNGKIAL-FOIQADDNSA-N 441.550 1.734 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1143512612 NVEXGGXTFKTYDD-UHFFFAOYSA-N 443.548 1.974 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 1144748239 GWCYYSUJEWLXCC-KRWDZBQOSA-N 432.502 1.144 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnnn1-c1ccccc1Br 1151151020 DFCGLEVFVINILR-UHFFFAOYSA-N 429.282 1.912 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1OC 1156148446 SCAJWLFWGVKVAT-UHFFFAOYSA-N 431.514 1.991 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 1207809617 IYLQOYKAZNZRGA-UHFFFAOYSA-N 440.831 1.856 30 10 IDEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(S(=O)(=O)CC3(CC#N)CC3)C2)nn1 1212074330 BYMOTFPVYBBGOR-INIZCTEOSA-N 438.554 1.963 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1255362394 DIVFHHUHSGKBBQ-NRFANRHFSA-N 440.569 1.953 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H](CO)c2ccccc2I)C1 1255363661 MREWEAWNNIFHDT-CJNGLKHVSA-N 427.286 1.721 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](COC2CCC2)C(=O)OC)ccc1F 1266147497 TWVKRLPOGCOQNE-INIZCTEOSA-N 428.482 1.473 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1 1286274279 LHMQSJZKKFXJQT-GFCCVEGCSA-N 445.325 1.657 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286282491 NSKNPBYWZFKACW-HIFRSBDPSA-N 426.477 1.408 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccccc2Cl)CC1 1286479653 NTOMMEBYGSXGNC-AVRDEDQJSA-N 442.951 1.546 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCC1 1286718986 AHRYWIZDGHFBPO-UHFFFAOYSA-N 428.522 1.510 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(CC)ns2)CC1 1286783710 ZQHLMTASGKCLMG-UHFFFAOYSA-N 442.549 1.889 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286788882 JMEZDSUJHSFGQE-PNLZDCPESA-N 426.521 1.339 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(C)=O)CC1 1286790894 KRHJMBLZUQRREM-LJQANCHMSA-N 440.504 1.198 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1286823614 WPSYKMJTMAIHBF-HXUWFJFHSA-N 433.509 1.942 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1287118139 DRBCNOSRCNXULE-HXUWFJFHSA-N 440.548 1.957 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1293902566 LVAUKIXVRTUBGP-ROUUACIJSA-N 438.569 1.285 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1298775987 CSHQFZFBUOZTQH-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@H]1C 1300282265 GPKGELMQEAYDHJ-QYWGDWMGSA-N 447.561 1.193 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1300725884 LFFDNOAYXBBVFR-ICSRJNTNSA-N 428.581 1.480 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1300897144 OKNVKKAPSXGKDW-QTEQDKRBSA-N 447.580 1.970 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301036329 CEUXJBLZMKHAEA-AWEZNQCLSA-N 432.872 1.612 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(=O)N(C)C)CCCC2)C1 1301535994 QSTSPDKXOFBNGW-KRWDZBQOSA-N 432.569 1.846 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301587097 MGFHKNXQOOYHQJ-AEFFLSMTSA-N 435.550 1.105 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1303427651 OQQNMFBCYWTVBI-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCOCC2)CCOC1 1303503295 CDWWGPUYRRJLLI-GCJKJVERSA-N 448.568 1.158 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1314814087 PYQMCNWJBHDXTG-SGRLSNSRSA-N 437.504 1.263 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1314983948 ATHGCYLHUNXVQZ-KSFYIVLOSA-N 442.520 1.794 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)c(OC)c1 1315427498 VRLAZCLXZKSJEY-QGZVFWFLSA-N 430.509 1.269 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)C1 1316529451 ABQGXJBJLGUHNC-DNVCBOLYSA-N 441.529 1.208 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1358994422 NCLYOALKLSECMC-WMZHIEFXSA-N 438.553 1.477 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1359203146 JHZVIPGNAJDDJD-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359205637 DZKBISKJFPIBCA-INIZCTEOSA-N 429.525 1.230 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359208289 JKBQGZZOVIKMJU-OKZBNKHCSA-N 440.614 1.402 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1359282183 SRTZAAXUZUWALQ-HNNXBMFYSA-N 448.574 1.872 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1nc(O)c2sccc2n1 1359297383 OQCUPAQCVHPWFY-UHFFFAOYSA-N 436.501 1.989 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1359304905 NCLRPMXKTJYSCG-CQSZACIVSA-N 433.896 1.812 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CCO1 1359747428 BGGIIFUJIVWQNX-HXUWFJFHSA-N 438.532 1.927 30 10 IDEE CC(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359930287 CBBAJNJFDYCHGF-INIZCTEOSA-N 425.541 1.839 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(I)nn1C 1435550358 CBWKSEFJXODPRK-SNVBAGLBSA-N 437.245 1.037 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1450164755 LIWHILJNZUHNKZ-QZTJIDSGSA-N 433.461 1.048 30 10 IDEE CNC(=O)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccc(OC)c(F)c1 1452239084 YXBBFTXVSWLAHC-QGZVFWFLSA-N 426.448 1.157 30 10 IDEE COCCN1C(=O)CCc2cc(NC(=O)N(CCC#N)CCN3CCOCC3)ccc21 1466268975 HGRYGAMPZHWTIW-UHFFFAOYSA-N 429.521 1.692 30 10 IDEE C#CC1(O)CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1470365434 AYUICNSAYVLZSC-IBGZPJMESA-N 436.530 1.138 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)C(F)(F)C(F)(F)F 1471524633 DMVFNUINDDPUAD-LLVKDONJSA-N 429.367 1.180 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1494682359 XSQGYXNHEBUGQZ-KAQLYBEJSA-N 432.550 1.639 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1497618424 RLCPENQKPFBUAV-LSGABVIPSA-N 437.504 1.872 30 10 IDEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1503212261 OBEHKKXYORTWQD-UHFFFAOYSA-N 441.511 1.774 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1503240391 ZQSRHQBZHQFGES-QVKFZJNVSA-N 444.561 1.554 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C[C@H]1O 1503881414 JZDUOPBNTKHVGO-QZTJIDSGSA-N 440.504 1.045 30 10 IDEE CS(=O)(=O)NCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cccc(C#N)c1 1505153362 UDHSPDCKWSEXJH-HNNXBMFYSA-N 448.459 1.886 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1507536242 BGPJRDCELTZLRJ-YJBOKZPZSA-N 425.489 1.531 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(=C)C 1507538913 PZUNPYMUIIKPAW-MHORFTMASA-N 437.566 1.050 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@H]2COCCO2)c1 1507549815 PMHIXFBHOJAVMM-IBGZPJMESA-N 434.500 1.755 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507631597 FPCLDQUBGCZENU-GOEBONIOSA-N 435.575 1.476 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507639489 KOYQBYZBFCZZSF-AWEZNQCLSA-N 430.456 1.329 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1507652282 FKKIQVGSKJJIGT-FQEVSTJZSA-N 448.552 1.681 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)c1cc[nH]n1 1507673326 QOHDJYGCFKSESZ-UHFFFAOYSA-N 440.511 1.897 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCn2ccnc21 1507704137 QLECGPQIKRZSHA-PGRDOPGGSA-N 428.537 1.790 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)SC)CC1 1507741228 NEKRKZNQJSMSCJ-SZMVWBNQSA-N 435.594 1.719 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1508091987 PUEOTFLSIZVGKG-QGZVFWFLSA-N 434.541 1.389 30 10 IDEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1513875205 XKSMEDABXRJOMU-SFHVURJKSA-N 437.504 1.748 30 10 IDEE CS(=O)(=O)C1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCCC1 1532346050 WREQRWZLMYDUHO-UHFFFAOYSA-N 427.548 1.356 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C1CCN(C)CC1 1538520205 SJZKYKXAXUZHQR-ROUUACIJSA-N 433.574 1.654 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1539338520 VWDLZWYQERBBRI-LJQANCHMSA-N 440.548 1.949 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1539416630 QQFZZXLHSIWVGP-IBGZPJMESA-N 444.557 1.640 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ncc(CC)s2)CC1 1539459801 OIZCMFBSSSUHDL-UHFFFAOYSA-N 427.578 1.417 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1539526693 RSOHQEYSGHXRDZ-QGZVFWFLSA-N 430.578 1.358 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539526858 VRUVAPSCQQNJPY-KRWDZBQOSA-N 432.594 1.460 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539527281 ZPRPRIUEUFVWJH-SFHVURJKSA-N 434.610 1.314 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1539642957 KEOZHPHLSDUGRX-HUUJSLGLSA-N 430.553 1.971 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccccc2CO)CC1 1540869814 XNAGKZQLNSTOSE-IBGZPJMESA-N 438.532 1.408 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)C1 1540884112 KDAMJXYWAJFFKB-CPFNUKBASA-N 441.598 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C)CC1 1540903467 FDDNFLIUDZWCPD-HNNXBMFYSA-N 430.596 1.407 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540915155 HOTLKBAQKJQLIQ-QGZVFWFLSA-N 438.561 1.742 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1541054738 ZXLDWOWVLPUYBH-HLAWJBBLSA-N 438.532 1.709 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)n1 1556460951 JXJQUNOODIRITK-IBGZPJMESA-N 446.548 1.907 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3C(=O)NC(C)(C)C3=O)C2)C1 1558813331 YBNMFSDVVRHMBK-HEOKHYPTSA-N 447.536 1.610 30 10 IDEE C#CCC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1 1560098403 HIFQTOSBNDZTDU-JXAWBTAJSA-N 445.516 1.828 30 10 IDEE C#CCN(C(=O)N[C@H]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1565481624 RYMGRKQOQFOWPX-XSLAGTTESA-N 439.578 1.996 30 10 IDEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N(CCC#N)CCN1CCOCC1 1583777499 LVNGFLQZWIPCRY-UHFFFAOYSA-N 434.541 1.774 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)cc1 1586111332 ZPKFRLSHDOAMFZ-FQEVSTJZSA-N 445.479 1.137 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1587848160 YMRQNSCBFSLAGA-UHFFFAOYSA-N 433.516 1.757 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1588228395 FHGGOCGLRMNBNG-SFHVURJKSA-N 445.589 1.434 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588858197 ZLJGBLVDFKNECW-PKOBYXMFSA-N 430.578 1.441 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCS(C)(=O)=O)CC1 1588913591 NXSGHMPBPIWVTH-UHFFFAOYSA-N 447.536 1.485 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1589420963 AQEKTCSDIMVDFC-UHFFFAOYSA-N 432.330 1.752 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC)C1 1595722983 PNWOSGACHSUCLQ-QZTJIDSGSA-N 447.561 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccccc2C1 1595823246 MLURXWVUUOBXME-UHFFFAOYSA-N 429.546 1.564 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595831534 RSGRWJDFCVJXKA-UZLBHIALSA-N 440.566 1.505 30 10 IDEE C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598482557 DCLJEWNRCAUFGY-MCNGFCJOSA-N 438.315 1.891 30 10 IDEE C[C@](O)(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1611719922 FBNXBSSYLWLWQO-CDXJDZJCSA-N 445.545 1.207 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1615973713 VXRNAPWTPOLGEN-SJORKVTESA-N 436.513 1.319 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1618757384 BMKGAEWZEGNELW-QGZVFWFLSA-N 430.534 1.356 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1619844136 KSNZKVQYIFWJEF-LJQANCHMSA-N 444.561 1.858 30 10 IDEE CSCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1620278804 GMTKXJAVNSMYPF-MRXNPFEDSA-N 442.611 1.494 30 10 IDEE N#Cc1cccc(NC(=O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c1 1620450685 ATCIICJKSSNTQO-UHFFFAOYSA-N 427.530 1.093 30 10 IDEE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)cc1 1627154104 INDDPMMKTVGDEH-AEFFLSMTSA-N 442.541 1.876 30 10 IDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)C(N)=O)c1 1634601618 QMPWHHRHESLUBE-QGZVFWFLSA-N 437.905 1.297 30 10 IDEE C#CCN(C(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C1CCN(C)CC1 1635683534 LODGLXWKKDNOPV-UHFFFAOYSA-N 426.546 1.716 30 10 IDEE CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635696711 BCRLBIVYLWICLG-BEVDRBHNSA-N 427.567 1.960 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC)c1ccc(Cl)c(F)c1)c1cc[nH]n1 1636540854 LWXVQAYVIRYXAQ-HNNXBMFYSA-N 440.815 1.517 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1637514306 SARUSYRODDIGRT-CQSZACIVSA-N 431.493 1.631 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]1CS(=O)(=O)C2 1648155357 DGXSQNAAJYLMMX-RMLUDKJBSA-N 432.227 1.507 30 10 IDEE CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NCC#C[C@@H]2CCCCO2)cc1[N+](=O)[O-] 1648586602 PCXHNAMEFACOPD-HNNXBMFYSA-N 438.506 1.382 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1650977341 HDXZFVXKOOVQSS-HXUWFJFHSA-N 439.560 1.964 30 10 IDEE NS(=O)(=O)c1ccc(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1654811662 MBGFWFUNKDKFEA-UHFFFAOYSA-N 431.470 1.171 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCOC2(CCS(=O)(=O)CC2)C1 1655890482 HIHDTZDOWOMABR-QGZVFWFLSA-N 435.546 1.610 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 1659797842 VOPZEKSDEIBTTC-CTNGQTDRSA-N 432.590 1.825 30 10 IDEE COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)NCC(=O)NCC#N)cc1 1672532159 BCNGQQVLJVNFJZ-ROUUACIJSA-N 445.520 1.727 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](N1CCOCC1)C(F)(F)F 1689866485 DCKPXNOIQZJQRS-QAETUUGQSA-N 445.486 1.723 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCN2CCSCC2)c1 1689873683 SBOPAJYSMNTDPE-UHFFFAOYSA-N 442.589 1.920 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1689994296 VTTKMQIKSWBHJT-QGZVFWFLSA-N 445.545 1.285 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1690094940 AMMLBCZOGORYQV-UHFFFAOYSA-N 427.896 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1690137460 ZMYIURZHSZAMSR-QHCPKHFHSA-N 426.565 1.552 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690274987 NFBLXDRKWMOSRC-LLVKDONJSA-N 445.471 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@]1(OCC)CCOC1 1690731143 AVNQNRQYGWIZHO-QKLQHJQFSA-N 442.582 1.392 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CN1CCN(CC)CC1 1694697501 CHUAMIGMOLCLBU-QGZVFWFLSA-N 438.580 1.649 30 10 IDEE CCOC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696004285 ZQQFZXKWMCNPCP-WDSOQIARSA-N 432.569 1.994 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)c1 1697523451 XHMCMEMPWCOJJL-TZIWHRDSSA-N 440.548 1.919 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1705565792 WIPSPOMUFPHHBN-INIZCTEOSA-N 445.545 1.105 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705639154 HPXWNIQIMAUTEI-LEWJYISDSA-N 430.597 1.776 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C/C=C\c2ccccc2)CC1 1705639350 MEDFRNKDHROZJT-NSDNCLLMSA-N 425.558 1.649 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1705754635 CEZSNVPNHDPCJV-OAHLLOKOSA-N 428.946 1.494 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(C)(C)O 1706896671 WGBMYHNVHMYALR-UAGQMJEPSA-N 432.550 1.403 30 10 IDEE CN(CC(C)(C)C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1711058796 VJUKRPWGEVWRHU-HNENSFHCSA-N 429.525 1.409 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCOC 1722296036 ZMFNFONKAAJMHI-FOIQADDNSA-N 434.566 1.484 30 10 IDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722359470 SZSZQIKGVVCQET-QGZVFWFLSA-N 449.964 1.898 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](n3cncn3)C2)nnc1[C@]1(OCC)CCOC1 1722463707 KPVJXGUVNBNBMU-PXNSSMCTSA-N 431.566 1.730 30 10 IDEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722529749 BDRFIKKHKOXIFP-UHFFFAOYSA-N 438.532 1.465 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722624333 AJUSUECFHGFXQN-UHFFFAOYSA-N 440.552 1.072 30 10 IDEE CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1723089674 DBFGKGUZNFJCFF-LJQANCHMSA-N 437.548 1.752 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNS(=O)(=O)CC 1727604895 FGNWHHUOQKJJSP-UHFFFAOYSA-N 431.566 1.368 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC1=O 1730775942 CUOARWATHCIASW-DOTOQJQBSA-N 439.520 1.012 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1740617075 LIPSFMAJBJURAZ-UWJYYQICSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1740622973 LWISYJPCPHBNBM-KRWDZBQOSA-N 426.477 1.549 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1740623404 SRTHBWIEUOVOGB-QGZVFWFLSA-N 430.530 1.935 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1740885954 RTCMZNNHASUYSD-SFHVURJKSA-N 429.525 1.441 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740900229 WMGZGHXPDNXBHD-SJORKVTESA-N 429.546 1.856 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1740952932 QVJQYTPHNRIBFP-IBGZPJMESA-N 440.548 1.417 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1741729096 MTJIFDWYEJVXJN-AOMKIAJQSA-N 442.520 1.923 30 10 IDEE C[C@H]1CSCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1743372547 QQNYJWYKSAIHBX-CVTQAYBASA-N 439.545 1.732 30 10 IDEE CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1745373024 BPQHGRUVCOMKTI-UHFFFAOYSA-N 434.508 1.342 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCOCC1 1748651304 KQODBQNIFSIESU-OAHLLOKOSA-N 445.545 1.089 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1748690344 QRNDWNADLHNKPW-GVDBMIGSSA-N 426.583 1.716 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1COCCO1 1748776987 UXDUDMILWQVNSW-KRWDZBQOSA-N 433.534 1.070 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1748809233 LBWMYWOERMTBKQ-IBGZPJMESA-N 445.614 1.621 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748812620 YDKVTOWXNCTLFT-OHZJNBGDSA-N 435.575 1.201 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1749054672 WZHHSBJMPRELMK-IFXJQAMLSA-N 434.570 1.275 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749088010 ZPCMMQBMRPVWKA-MCIONIFRSA-N 448.387 1.802 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1749574954 ITPRPQYWFICPCM-DLBZAZTESA-N 439.582 1.605 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1749670049 NWXMUTVHMYMJTN-LSDHHAIUSA-N 430.475 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1749730907 VGVQGKXCZQWZRH-AWEZNQCLSA-N 441.517 1.791 30 10 IDEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1749857987 FCTSDIMXOJTABZ-JKSUJKDBSA-N 440.508 1.016 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1C1OCCO1 1750008523 ORYCPJDLMBXKTD-FUHWJXTLSA-N 443.504 1.825 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1760176434 KWDWZOBHOXWVDB-OAQYLSRUSA-N 449.603 1.627 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760186700 FLGBHKFZBONVLI-HZPDHXFCSA-N 435.575 1.846 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1760224198 BKDORAILPHZLHD-UHFFFAOYSA-N 433.534 1.358 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1 1760242489 FFPLNCAFRKJQOI-UHFFFAOYSA-N 434.504 1.521 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCN(C)CCOC)CC1 1760255149 UJIREZCTZGAGAV-UHFFFAOYSA-N 448.575 1.669 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccc(OC)cc2)CC1 1760257707 FWESQWYTOWTTOR-GOSISDBHSA-N 435.532 1.910 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760273083 HUHFZRWPZAIQPY-LJQANCHMSA-N 445.637 1.097 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760373764 BQRVVLGYIJLGGV-HOTGVXAUSA-N 444.001 1.921 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)N2CCOCC2)CC1 1760393647 UQPMBMOBJWHXMV-UHFFFAOYSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760524381 WMKWJLZTUBAOMY-QGZVFWFLSA-N 431.541 1.160 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)C1 1760538948 WYXRKZFMKZPSJZ-LPHOPBHVSA-N 428.555 1.145 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761229205 YEKHDGQVTNXNJL-VLGSPTGOSA-N 427.509 1.323 30 10 IDEE CCn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)NC)c2ccccc2c1=O 1765579674 FBTVZAMYWGAYBT-QHCPKHFHSA-N 448.531 1.941 30 10 IDEE CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766691639 KEQOHAGISZCQSW-QGZVFWFLSA-N 434.591 1.542 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1766877721 FDMYOAJWMKWNTD-UHFFFAOYSA-N 442.911 1.840 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1771539172 PGZKEZMOXBELIE-BZUAXINKSA-N 444.458 1.512 30 10 IDEE C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 1772509807 SKRITBXHEUDVSS-IBGZPJMESA-N 427.530 1.207 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2c(OC)nc(C)c(Cl)c2C)C1=O 1854156811 DTNPINYOAXMKGE-HUUCEWRRSA-N 434.924 1.820 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 1855697934 HRXQHXPWHHHSSY-ROUUACIJSA-N 432.546 1.308 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1 1855698067 KSYSIUGXPLBLRP-QAPCUYQASA-N 436.509 1.199 30 10 IDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 1861268763 UMLPWUYKAHMKIP-QGZVFWFLSA-N 430.892 1.216 30 10 IDEE O=C(NC[C@H]1CCCO1)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933305 CXPCYSINQYTWFW-AEFFLSMTSA-N 431.489 1.771 30 10 IDEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1890705160 NVNFPHDXPKVVAY-FQEVSTJZSA-N 448.545 1.744 30 10 IDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2118169497 XLNYJTORSODNBN-GJZGRUSLSA-N 434.440 1.914 30 10 IDEE C=C(CS(=O)(=O)N1C[C@H](OC)[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247963617 YKDQAQGXJQOMGY-CABCVRRESA-N 446.375 1.728 30 10 IDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405100 RGDFHIVMCCCKMZ-LLVKDONJSA-N 443.331 1.852 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2255628981 PHCUDGUODPYYKL-QEJZJMRPSA-N 432.330 1.837 30 10 IDEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255645947 SIVBSVBQBYIQIK-KRWDZBQOSA-N 442.394 1.646 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2255704938 OCIDDGUCAUUQPU-CQSZACIVSA-N 437.346 1.662 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2255827078 UYUAGWFEFOQLRZ-UHFFFAOYSA-N 432.330 1.934 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2255830708 JOHRMZMYYOSAMT-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)o2)OC1(C)C 2255847547 XYXHPUYPCZVHLL-QHCPKHFHSA-N 426.322 1.946 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256929818 WNBGWYPCVHZTHJ-CZUORRHYSA-N 429.282 1.497 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)n1 2267112815 LXEJFVYNOVMVEC-HSZRJFAPSA-N 439.369 1.756 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267132749 TUMZSTJTBRPSKC-MZBDJJRSSA-N 446.357 1.705 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267146617 OVIUUEKQXDKJTH-LSDHHAIUSA-N 448.373 1.918 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267150234 BVFLTXQXGIEZHA-JLCFBVMHSA-N 446.357 1.941 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 2267153454 BUHPMLQZYOFKFD-GASCZTMLSA-N 446.357 1.862 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1 2267504637 VOKZEICVPNUZHU-GJZGRUSLSA-N 446.357 1.658 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2267516391 CWPFMZZULYSKQE-OALUTQOASA-N 441.337 1.823 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267872976 WSGMVHYDHJHJKP-LBPRGKRZSA-N 442.247 1.449 30 10 IDEE C[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)S(C)(=O)=O 2282305046 SMWHGXFNYPRBDR-VIFPVBQESA-N 443.805 1.412 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@@](C#N)(C2CC2)C1)NC(=O)OCc1ccccc1 2286045209 MVRXRBCGXOVXHF-XLIONFOSSA-N 435.502 1.410 30 10 IDEE C=CCC1(CO)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2287685391 GPYHRWBHYMHBRW-QGZVFWFLSA-N 440.518 1.346 30 10 IDEE C=C(CN(C)C(=O)[C@H]1[C@@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2312974041 AUBVSMIAJKMRQE-XHSDSOJGSA-N 440.346 1.364 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2337182030 UHETYIQBWVLNGU-KKUMJFAQSA-N 446.357 1.847 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](COCc1ccccc1)CC(=O)O 2337196065 HEYCOBDFUJAKHT-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14281259 BSVWAMYUKSPKRF-FOIQADDNSA-N 427.482 1.620 30 10 IDEE C=CCn1c(=O)/c(=C/c2cccc([N+](=O)[O-])c2)s/c1=C(\C#N)c1nnc2n1CCCCC2 17859239 NUICJXQOQWPXSI-IMWYKSJCSA-N 448.508 1.873 30 10 IDEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cccn1-c1ncccn1)CC2 72144323 NVGRQACRUMGECU-SFHVURJKSA-N 425.489 1.741 30 10 IDEE N#Cc1c(CCCNC(=O)Cn2ncc(=O)c3ccccc32)nn(-c2ccc(F)cc2)c1N 106143267 CVHYHMNWJGPTIA-UHFFFAOYSA-N 445.458 1.924 30 10 IDEE C=C(C)[C@@H]1Cc2c(ccc3c2O[C@@H]2CO[C@]4(OC)C=C(OC)C(=O)C=C4[C@]2(O)C3=O)O1 253370296 PALZWWLQIUCKJJ-BKMALILDSA-N 426.421 1.653 30 10 IDEE biogenic C=CCOC(=O)[C-](C[C@@](C[C@@H](C(C)=O)C(=O)OCC=C)(C(C)=O)C(=O)OCC=C)C(C)=O 253611687 UJCPSIHNPIHJQL-MBSDFSHPSA-N 449.476 1.898 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 429296149 RAEDFYXGRILZFF-ZIAGYGMSSA-N 435.912 1.500 30 10 IDEE CCO[C@H]1C[C@](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)(C(=O)OC)C1(C)C 444564406 ZZTDYSIETPGBPT-JXFKEZNVSA-N 437.518 1.274 30 10 IDEE COc1cc(N2CCN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CC2)ncn1 461942630 CXXTVYPPWQECMD-UHFFFAOYSA-N 437.504 1.974 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](COc2ccccc2)C1 481536848 USUGWIFOTXSCIX-APWZRJJASA-N 429.498 1.531 30 10 IDEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 493506750 MIXZDMZBNBAROU-MRXNPFEDSA-N 435.322 1.001 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)cc1 508633613 CCEUABCQPXGWRZ-QUCCMNQESA-N 439.516 1.334 30 10 IDEE CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 541138120 IQQYJQBBJVGCOV-CQSZACIVSA-N 428.880 1.853 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 581076713 ANGJXUBXRPQBDZ-SFHVURJKSA-N 435.594 1.985 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C[C@H]3CCCO3)c2=O)cc1 603797176 BJVZIDQKQQGMTK-LJQANCHMSA-N 449.532 1.810 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCCO1 603798765 NFKZKDCGFYCAKH-OAHLLOKOSA-N 431.945 1.770 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)CC1 604161356 ZWHNMGZUWVIQGU-FQEVSTJZSA-N 429.565 1.462 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)CC1 604166260 NPYFOBYQYLDFJD-IBGZPJMESA-N 430.940 1.792 30 10 IDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)n1 606727116 MNIQIRSVNPVMDY-UHFFFAOYSA-N 430.468 1.456 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCOC2)CC1 670333335 CAVNOAPGINVRDA-NRFANRHFSA-N 438.576 1.524 30 10 IDEE NCC#Cc1ccc(F)c(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 703980760 ZQRKTFRZJPGQBW-UHFFFAOYSA-N 429.473 1.242 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)NCCOc3ccc(C#N)cc3)cc2S1(=O)=O 741971493 KPZDTJYLGFEWIQ-UHFFFAOYSA-N 429.454 1.158 30 10 IDEE CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 747496973 XOUJXJXKTIQUKY-UHFFFAOYSA-N 449.511 1.599 30 10 IDEE CCOc1ccc(C(=O)NCC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1OCC 764753909 JHXAFNPOSZNQRE-UHFFFAOYSA-N 445.497 1.732 30 10 IDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)NC(C)=O)cc1 766991401 WSNMNQXXCMUORZ-QGZVFWFLSA-N 431.470 1.648 30 10 IDEE COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 770245438 MKYNEWIRIFZKFL-GFCCVEGCSA-N 446.298 1.736 30 10 IDEE C#CCN(C(=O)NCC(=O)Nc1ccc(Br)cc1C)[C@@H]1CCS(=O)(=O)C1 774145992 LEJAACUPLWFCQN-CQSZACIVSA-N 442.335 1.528 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 774258018 RPVIKFPCRILZIW-GOSISDBHSA-N 447.605 1.863 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 777288330 RYVAOWNIPQLRQW-QFIPXVFZSA-N 432.496 1.184 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](SC)[C@H](N3CCCC3)C2)ccc1F 777312403 BGLCLUMFPOSQCY-SJORKVTESA-N 427.567 1.942 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)CSC2CCN(C(=O)OC(C)(C)C)CC2)CC1 778707416 RFVBBRVOCJPNCJ-UHFFFAOYSA-N 438.594 1.013 30 10 IDEE CC(C)(C)OC(=O)NCCN(CCc1ccccc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 790440842 LKEAAPZOEDYODD-SFHVURJKSA-N 438.550 1.525 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C#N)s1 797822704 YDUBOEJXOJIJQN-UHFFFAOYSA-N 428.536 1.320 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)CC1 810049647 YIHXFHBHQPYWMK-NQIIRXRSSA-N 434.378 1.972 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 810268220 CDTXTDMMXMRYAF-UHFFFAOYSA-N 440.525 1.824 30 10 IDEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 815412943 XGDLQPLZZSWHGS-UHFFFAOYSA-N 431.923 1.471 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCC[C@H]2n2cc(C(=O)OC)nn2)c1 816071930 OVPNRWRRBIHVNJ-QZTJIDSGSA-N 446.485 1.317 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 816290347 WGYKMCTWLNWTDV-UHFFFAOYSA-N 434.499 1.453 30 10 IDEE COc1ccc(-n2cc(C/N=C3/NC[C@@H]4CN(C(=O)OC(C)(C)C)CCN34)nn2)cc1 849087320 XBWPIGKZEUMSHZ-QGZVFWFLSA-N 427.509 1.656 30 10 IDEE COc1ccc(CN2C(=O)C(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)cc1 917422912 LRWWIWREAWWSCA-UHFFFAOYSA-N 434.456 1.032 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)COc2ccc(I)cc2)CC1 1128963051 YQTDDJXBHYFEHK-UHFFFAOYSA-N 428.226 1.975 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)c1ccc(C#N)nc1 1130448124 KFRZCPHNJIIDJN-UHFFFAOYSA-N 443.529 1.565 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccccc2S(N)(=O)=O)s1 1141400757 STGVUJONUHEGLC-UHFFFAOYSA-N 443.572 1.061 30 10 IDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(=O)OC 1141995102 IHRIFNNXUGHFBI-HXUWFJFHSA-N 432.542 1.647 30 10 IDEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)c(Cl)c1 1157893958 VHWILKWMJSRZRN-UHFFFAOYSA-N 426.281 1.991 30 10 IDEE COc1cc(C)c([S@](C)=O)cc1OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1162504214 KPZWFYLZXLJOJC-NDEPHWFRSA-N 436.511 1.775 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)CC1 1176021879 SAGZLTUSIIPELQ-UHFFFAOYSA-N 426.496 1.303 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OCC 1193572639 FNANSWYTTWOGJC-QMMMGPOBSA-N 447.682 1.377 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)nc1 1195779513 ZETNQGBEYGXUKC-SFTDATJTSA-N 426.542 1.702 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)COC(=O)N2 1286357047 XRFXWPDTOZUPGL-UHFFFAOYSA-N 428.518 1.762 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1286400354 DBZBARJTVQNLQY-SLGOVJDISA-N 440.569 1.930 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1 1286484498 LLWDYJITCCGUAB-FQEVSTJZSA-N 433.560 1.968 30 10 IDEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286693882 FAZCKSSETPCYFL-UHFFFAOYSA-N 432.492 1.118 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1286785372 KHVZYXRXVKIAFV-INIZCTEOSA-N 435.532 1.701 30 10 IDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C 1286794074 VPTAAQXUULBEJW-CQSZACIVSA-N 446.512 1.366 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1288518153 IKCVNGNKOYERIU-CQSZACIVSA-N 436.538 1.959 30 10 IDEE CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1290448583 AWJBUOMNIIZPBR-MRXNPFEDSA-N 431.924 1.235 30 10 IDEE N#Cc1cccnc1NCCNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1292157689 OJQKILMEZMRUBG-UHFFFAOYSA-N 449.558 1.250 30 10 IDEE CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293867405 BKKXFSKFMOMVPG-OSCRUYLVSA-N 443.552 1.913 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)s1 1293982950 XVMQHCPYLBYHKB-OAQYLSRUSA-N 449.598 1.508 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1296132260 AFGDTBWTZIVYBZ-CVDCTZTESA-N 442.612 1.557 30 10 IDEE C#CCC[C@H](O)CNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1296955616 CSZWTGPCTJNQQG-STQMWFEESA-N 427.452 1.902 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1298690625 MOESFAXGFARMRH-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1300419241 IRURMAMQSRQYBI-KRWDZBQOSA-N 439.516 1.885 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)N2CCOCC2)CC1 1300700916 BGSQPESBMLHBBU-GOSISDBHSA-N 444.530 1.623 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)c2ccccc2)CC1 1300723675 ZATYMUSGIQYEFA-HXUWFJFHSA-N 449.559 1.331 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1300756852 VCDQSEFXNOAGLP-FXAWDEMLSA-N 430.622 1.901 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1300971774 ALXKBDGXJOFYSJ-IBGZPJMESA-N 432.569 1.265 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cccs2)CC1 1301491300 OPVGNDGGBGXNIA-UHFFFAOYSA-N 425.562 1.970 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(F)cn1 1302091653 FWTHTHKTTZMHTL-KXBFYZLASA-N 429.500 1.761 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1302095938 GHOKVEKIANSELW-PMPSAXMXSA-N 446.474 1.615 30 10 IDEE C[C@@H](CC(=O)N1CCc2c(sc(N)c2C#N)C1)/N=C1/NS(=O)(=O)c2ccccc21 1304491427 YYIRIPKHXPWSAP-NSHDSACASA-N 429.527 1.604 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1306545510 SPMHMEPOZOTFSK-GWJPWWOOSA-N 438.532 1.995 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1306646596 MAKAVEJRPAEXTA-YGCDDZCOSA-N 437.504 1.872 30 10 IDEE C#CCNC(=O)CN1CCN(C[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 1307801548 ZKLVPODIGPAFJG-IBGZPJMESA-N 434.581 1.160 30 10 IDEE C#CCN1CCN(C(=O)CN[C@@]2(C(=O)OC)CCc3cc(Br)ccc3C2)CC1 1307941238 SFDPDWBKENCXFF-NRFANRHFSA-N 448.361 1.217 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)c1 1309076359 GVVWFTYTWHAIEN-MUUNZHRXSA-N 434.543 1.787 30 10 IDEE CCOC1CC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1314249158 BQIGVNQDMBIFJK-JEFDNNSCSA-N 429.456 1.297 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCN(C)C2)c1 1315343688 GXEDGUUNSBWOMA-QFIPXVFZSA-N 426.521 1.769 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1342229394 VLBOKLOLFCFUAT-KRWDZBQOSA-N 427.954 1.450 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358878010 OKNQJUSJDOKTAO-OYHNWAKOSA-N 441.557 1.817 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1358891781 MJLSAFCUJKZRKO-FUJBLVTHSA-N 439.582 1.813 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1358923912 GKXSAEYXPDMNPU-UHFFFAOYSA-N 440.533 1.348 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358955818 UPQDZUMVTDXIDY-QKLQHJQFSA-N 440.552 1.572 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1358964914 JYYAAFZOIGYJCY-OQRWROFFSA-N 440.616 1.326 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1358969953 ATRYMLQUWZLTQA-RUZDIDTESA-N 449.555 1.888 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)n1 1359027354 GHKJYHDKQBZCQS-UNMCSNQZSA-N 428.537 1.797 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359035465 VCPNOEZLKGKESQ-LEWJYISDSA-N 430.597 1.632 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCC[C@H]2C)CC1 1359038186 MXFZVWCTQNMZBJ-GOSISDBHSA-N 441.605 1.509 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)NC)CC1 1359303718 YRLNQNMVCHAMRZ-UHFFFAOYSA-N 436.520 1.045 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N(C)C)C1 1359315606 XMXPRVNDTRFUTK-KRWDZBQOSA-N 447.561 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359330519 UXQWTXKMLAGPAN-UHFFFAOYSA-N 446.577 1.636 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1360056153 AYTNXJSOCKYZGX-GDBMZVCRSA-N 436.538 1.653 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)c1 1361035757 MUWBJLYXHIHECC-GOSISDBHSA-N 448.549 1.142 30 10 IDEE C#CC[C@]1(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 1437083530 NSQFYOGODLPWAM-WOJBJXKFSA-N 426.535 1.196 30 10 IDEE C=C(CN(C)C)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1440924348 HBNKFHZZXAOKHI-BOPFTXTBSA-N 449.529 1.983 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)C1 1456850154 YXWKRPCPWITALL-HNNXBMFYSA-N 443.305 1.648 30 10 IDEE C#CC1(O)CCN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1 1460513441 KAJHGWKNZLUYEL-LGMDPLHJSA-N 431.489 1.438 30 10 IDEE CN(Cc1cc(Br)cs1)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460884517 USFAJAROOWZKLZ-XHDPSFHLSA-N 432.365 1.339 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)O2)C1 1470235023 OSNSGPBFYHQGSA-IAFNSTAXSA-N 434.493 1.188 30 10 IDEE C#CC1(F)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1471607413 ZZAGPGZNWYFCJZ-AWEZNQCLSA-N 445.310 1.166 30 10 IDEE C[C@H](CC(=O)N(C)CCc1ccc2c(c1)OCO2)/N=C1/NS(=O)(=O)c2ccccc21 1471902909 FPKKSZAPSPJJFJ-CQSZACIVSA-N 429.498 1.934 30 10 IDEE CCOC(=O)N1CCC(NC(=O)Cn2cc(C#N)c(I)n2)CC1 1473050430 QOZQCCRHHWVNTB-UHFFFAOYSA-N 431.234 1.096 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)C[C@H]1CS(=O)(=O)C2 1473850430 NUSHKXVUCQIQRN-VBKZILBWSA-N 444.538 1.809 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCCCN3CCCC3)CC2)cc1 1478725515 KMPZKLQWXADDNZ-UHFFFAOYSA-N 433.578 1.840 30 10 IDEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1500930155 HANJSFAKZVFLRV-SFHVURJKSA-N 428.562 1.783 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1502426491 BVNJZLMFHKZVHM-SFHVURJKSA-N 437.548 1.501 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1503373432 AMPRFSDTWRZFIQ-KRWDZBQOSA-N 435.492 1.287 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1504403478 LHBWPMCJPNVTKR-YCRPNKLZSA-N 441.467 1.308 30 10 IDEE COc1ccccc1O[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1504426053 IDCLRIOHZMBFGQ-DLBZAZTESA-N 440.504 1.605 30 10 IDEE COc1ccccc1O[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1504426055 IDCLRIOHZMBFGQ-IRXDYDNUSA-N 440.504 1.605 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507525962 KACXHIUVFSXNJS-HZPDHXFCSA-N 445.545 1.456 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1507545880 MSWSDOSAFGOSEW-CQSZACIVSA-N 425.942 1.908 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507631777 UEJKWNUMABJOHJ-GCJKJVERSA-N 439.541 1.808 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1507715754 HSOJYEDKYYKBHL-QGZVFWFLSA-N 447.584 1.332 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCC2(O)CCOCC2)CC1 1507718913 VTTFYHAQOCZKCT-UHFFFAOYSA-N 425.533 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C2CC2)N(C)C)CC1 1507738856 GGKFGPJHWHCOOD-VQTJNVASSA-N 428.581 1.826 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507895585 AOJCMKUXOLYUFW-FUHWJXTLSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1508084983 RSPLZWIUDICDSG-UHFFFAOYSA-N 432.532 1.590 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1 1508088282 FUYQJFIPPWQODB-MRXNPFEDSA-N 429.500 1.335 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C2CCOCC2)C1 1508139734 JBMJRGBPGOCVMO-KRWDZBQOSA-N 434.566 1.532 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508160086 DAIXAVWVCMZPFV-BZUAXINKSA-N 430.596 1.340 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1508410169 DISNJEZLPJSAJA-CQSZACIVSA-N 428.522 1.480 30 10 IDEE CCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513890583 RNLUHWLVAQQOTR-WPCFGXOUSA-N 442.442 1.915 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC1 1515994645 SULAOSNUZRRHEP-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCc2ccco2)CCOC1 1516163654 WOBJXYJEOVKCBR-OAQYLSRUSA-N 428.493 1.580 30 10 IDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c([N+](=O)[O-])cc1OC(F)F 1538308441 GBNKOCNNKIEVKK-FVMDXXJSSA-N 431.373 1.215 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1538973563 NUSOHTHMNYUBFK-BDJLRTHQSA-N 442.339 1.043 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1539013636 JDOHSNITAMOFDK-HZPDHXFCSA-N 425.518 1.267 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1539396957 VRUGJZGVFMDNIF-DLBZAZTESA-N 449.581 1.057 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539420480 FDBSPIJEOYBXEV-SIKLNZKXSA-N 428.537 1.564 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)c2nccs2)CC1 1539477535 PSKKTHSPXQOJCS-HNNXBMFYSA-N 436.545 1.961 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539512307 BLMUUQZOUSKBKM-IBGZPJMESA-N 448.637 1.877 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539900779 UCOJIKZVQJXNQZ-UHFFFAOYSA-N 440.552 1.703 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1540859148 IYUDLGVMPLRVET-KRWDZBQOSA-N 443.577 1.810 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)F)CC1 1540864572 DWYPIGSUDWCPDO-UHFFFAOYSA-N 435.435 1.543 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540873276 SQCJUBSQRBGFML-QGZVFWFLSA-N 427.534 1.544 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(N)=O)c2)C1 1540896841 UXADHHHRSSRKRQ-RTBURBONSA-N 427.505 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C)C1 1540907370 UTTJIJHBNWXVNL-QGZVFWFLSA-N 434.562 1.898 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1541116136 KCAKOPTUXYHQKF-CYBMUJFWSA-N 426.493 1.634 30 10 IDEE CC(C)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541354700 GWYKCLIBKCVAMX-BSBNDGSWSA-N 441.536 1.519 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1552661967 FKUYPNINDKWSOC-PMACEKPBSA-N 443.596 1.855 30 10 IDEE COCCN(C)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555527716 LFXGXHSCSGPVCB-UHFFFAOYSA-N 427.553 1.980 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(CC#N)CC3)n2CC2CCCC2)C1 1555812680 GSBPXTHEXBRGSQ-SFHVURJKSA-N 436.582 1.931 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)CC2)c1C#N 1565372439 CQAGXNPRYSPOPH-RHSMWYFYSA-N 431.541 1.687 30 10 IDEE Cc1c(I)cccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585139460 XHJIINHOJXGZHX-NHYWBVRUSA-N 430.267 1.610 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3sccc3CC#N)CC2)c1 1587365102 ZQGZFTJKHDJKAC-UHFFFAOYSA-N 435.527 1.978 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1588764606 AVIHRLNLRIJESZ-GOSISDBHSA-N 435.502 1.515 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(O)CCC2)CC1 1588892056 WHGYHDMCBARLNU-HSZRJFAPSA-N 445.564 1.201 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589394409 FJJUZXNIRDZJRJ-NWDGAFQWSA-N 434.360 1.397 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1)C1CC1 1595058731 UMMOGOGBBLRZIJ-LJQANCHMSA-N 447.561 1.823 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1 1595550578 FWUVCYKAPSDZQW-MRXNPFEDSA-N 447.565 1.032 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(Cl)ccc2C1 1595551819 WBQIBKJMRXPBTJ-INIZCTEOSA-N 449.964 1.699 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1595593604 HCBKHYUNIALHIK-UHFFFAOYSA-N 431.512 1.830 30 10 IDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1607489306 PZFWMECSPXIDSY-UHFFFAOYSA-N 427.420 1.968 30 10 IDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1607665969 NEYSUAHZXGZHFT-ORAYPTAESA-N 443.481 1.057 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1613429101 FJLVCSIBLFRDCX-MAUKXSAKSA-N 437.504 1.762 30 10 IDEE CCN(CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615449406 WKLFBAXCPKPPDJ-OAHLLOKOSA-N 440.552 1.682 30 10 IDEE CCN1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1615886093 XGQSUWHQRVZXQX-NRFANRHFSA-N 434.564 1.276 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(C(N)=O)CCOCC1 1619987785 BCGUXBCSUDANKH-MRXNPFEDSA-N 434.541 1.414 30 10 IDEE C#CCN(CC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1626282143 WALCBBNVSPOCFC-UHFFFAOYSA-N 425.526 1.735 30 10 IDEE C=CCN(C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)[C@H]1CCS(=O)(=O)C1 1626456234 ICLZWXQKPJDJKP-LIRRHRJNSA-N 432.514 1.164 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c(Br)nc2n1CCOC2 1631744197 DEEPSQOHJJBBHI-NSHDSACASA-N 432.282 1.188 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1 1632493013 HOMXIKWUROBBAY-GDBMZVCRSA-N 442.497 1.155 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)c3cccc4ccccc34)cn2C)CC1 1634876483 RCILRJOBOPDSAX-UHFFFAOYSA-N 442.519 1.917 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)c1 1635785547 ATNNRXVJLDJZAZ-MUUNZHRXSA-N 439.555 1.400 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(CCC#N)CC3)nn2)CC1 1635905862 OBUHFVCUZMFDBZ-KRWDZBQOSA-N 431.541 1.912 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2SC)CC1 1636479449 BBHVUWMKZDXOIR-UHFFFAOYSA-N 432.365 1.396 30 10 IDEE CCOC(=O)N1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)[C@H](CO)C1 1637076549 JTSAOFHWPKDMSK-SWLSCSKDSA-N 426.267 1.265 30 10 IDEE C[C@@H](CC(=O)NCCn1ccc(C(F)(F)F)n1)/N=C1/NS(=O)(=O)c2ccccc21 1637344149 GWRVUFLPGZXRPF-NSHDSACASA-N 429.424 1.535 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@](C)(CO)Cc1ccc(Cl)cc1 1643894088 XAPXWRYPOIZHGH-XOBRGWDASA-N 435.933 1.988 30 10 IDEE CCOc1cccnc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1644591633 HFAQRIUKVIAFNB-UHFFFAOYSA-N 443.529 1.258 30 10 IDEE C#CCN1CCC(NC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1652173010 LSSJEIAOOIAYJW-TZIWHRDSSA-N 433.574 1.148 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1ccccc1 1657641202 LMVQWPQXNDRRCU-IEBWSBKVSA-N 447.538 1.648 30 10 IDEE C#CC1(O)CCN(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1 1668874943 BVIPULNJDLWYDQ-UHFFFAOYSA-N 430.509 1.526 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(CCc4cnccn4)CC3)C2=O)cc1 1672358041 NWHAVFGKTBCVPQ-NRFANRHFSA-N 433.516 1.019 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)c(C#N)cn1CC 1672409832 CJCDKGWULROREP-UHFFFAOYSA-N 439.538 1.834 30 10 IDEE Cc1cc(C#N)cc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 1678412907 GQBSEEMHALYAGF-UHFFFAOYSA-N 428.518 1.535 30 10 IDEE C=CCn1cc(CNC(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)nn1 1682725547 OEVTYBKKPAGVOQ-MRXNPFEDSA-N 446.577 1.892 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 1683425715 RCQIEVJDQQUEFS-UTKZUKDTSA-N 427.549 1.804 30 10 IDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)O2)CO1 1684205892 OBOCGEYVMBUZRB-HGHGUNKESA-N 448.545 1.301 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1689926595 TUKGXLOCPRALMW-INIZCTEOSA-N 435.532 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCN2CC)CC1 1690113322 GSDCKEHFNDNJRH-QPPBQGQZSA-N 444.624 1.948 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690309828 LKALGJIEOIIJIM-SFHVURJKSA-N 439.520 1.714 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690469339 MAOXSBAYYRPKNX-IBGZPJMESA-N 445.612 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690718043 ZIAXAGPUZCRKQA-OAQYLSRUSA-N 445.545 1.271 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1693917627 BQJHHUGUYRZGCU-GCJKJVERSA-N 425.537 1.926 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1695962416 GMBFHAWVAZSXTM-QFIPXVFZSA-N 440.504 1.901 30 10 IDEE CO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698283882 GVROIPCXFJKWTQ-JHBCHSCWSA-N 440.479 1.760 30 10 IDEE C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1698452537 WPVRPCVHYXPTMQ-WBVHZDCISA-N 427.509 1.906 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705563656 BTJDBCGSJWTBMN-LJQANCHMSA-N 437.525 1.915 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@H]1OC 1705576314 JOFTUNLVRMDXQD-UYAOXDASSA-N 442.541 1.473 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1705612173 BFYNWNWXKREMEP-SFHVURJKSA-N 429.546 1.242 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(OC)c2)CC1 1705642022 CUMSGYSFHMBMLB-UHFFFAOYSA-N 449.559 1.960 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705780976 MPUJAKPCZPQUIY-YJBOKZPZSA-N 438.598 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705932672 ICYDCFZGTZHNCI-KRWDZBQOSA-N 444.536 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCCC2)CC1 1705934338 IXUUTVIWLOHPQK-UHFFFAOYSA-N 431.566 1.401 30 10 IDEE CC(=O)NCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC#N 1706058009 RSGSTSBJYGKHKI-AWEZNQCLSA-N 446.581 1.811 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1710097665 ZPSAFQPQHWZMMY-GOSISDBHSA-N 434.504 1.767 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1711288585 HZTCKIBUOJWEHT-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1712319494 RQONJQJTLCICMQ-FIKGOQFSSA-N 427.461 1.718 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712884765 RRESHNLGGZYZSZ-MSOLQXFVSA-N 447.490 1.349 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCC[C@H]1C 1722346788 WVMUVOMXTPBIHC-IIBYNOLFSA-N 431.562 1.816 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1722380128 FCKFBQGBDCIBGC-BXKMTCNYSA-N 446.511 1.288 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722535197 BFUMCCAEOGHERG-LSDHHAIUSA-N 447.517 1.976 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1722675254 LMQSOBKVSIXTEK-OAQYLSRUSA-N 445.545 1.661 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(c2cnn(C)c2)CC1 1722692593 SFWUTRJMGIJJQD-UHFFFAOYSA-N 442.568 1.616 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1722697810 QHKAUELSDXEQBH-QHCPKHFHSA-N 446.515 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1722752187 YDCMWVPKFMVDPL-SFHVURJKSA-N 431.518 1.269 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1729409175 CDZCQYBNHZBHDU-IBGZPJMESA-N 444.561 1.919 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1729619401 HVDSJEAEQNSQNF-KRWDZBQOSA-N 439.564 1.746 30 10 IDEE CSC1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1731065940 ACUAKBDWLOIIQS-SFHVURJKSA-N 427.578 1.820 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCOCC2)CC1 1740704906 VYDDGMIKELQMQM-UHFFFAOYSA-N 439.564 1.351 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1740707687 MEFSPCUOLCSXKX-IBGZPJMESA-N 430.597 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1740957731 YURUFPHBYQLAAZ-UHFFFAOYSA-N 445.527 1.534 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740959781 DWWMMRDEULYUFT-LSDHHAIUSA-N 430.475 1.547 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1741001701 BDXXHXCDZHWRME-SJORKVTESA-N 443.639 1.256 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1747728838 FCAHOVWLXJSZRA-UHFFFAOYSA-N 447.499 1.975 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1748837906 RMBZLXMVZFFKTQ-XDOYNYLZSA-N 425.452 1.416 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccsc2)CC1 1748978902 SPPGZJUVCRPVMU-LAUBAEHRSA-N 433.578 1.727 30 10 IDEE C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749040104 MPVOANBPSYZGLW-KRWDZBQOSA-N 433.965 1.840 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1749342708 MLVJKEADFSOMAZ-IAGOWNOFSA-N 442.607 1.407 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 1749427117 LPCYABGNWDGESO-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749721663 QKXLBLHTAYUIQB-UHFFFAOYSA-N 438.598 1.729 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1749738520 OHSZVCMNCVLYHG-LJQANCHMSA-N 445.545 1.401 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1750389924 RJIKVQCKUCWDND-ZWKOTPCHSA-N 437.566 1.506 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1750568616 ALNOVXJYFJRZGF-UHFFFAOYSA-N 432.550 1.460 30 10 IDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1750752126 RMOAGUPICJMBIE-NHCUHLMSSA-N 429.613 1.890 30 10 IDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCO1 1751302760 HEGXXXRTJNXUOC-HXUWFJFHSA-N 430.534 1.467 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1751772815 DUELFOMPRPWHSS-HNNXBMFYSA-N 442.549 1.752 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760157538 SJNMOXQJHLWEOW-MRXNPFEDSA-N 430.534 1.024 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760163446 VWGAJUFFDYHJRA-GJZGRUSLSA-N 442.586 1.461 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CC1 1760176193 AZXNFRUYPVLPIZ-WJOKGBTCSA-N 440.617 1.623 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1760188076 HEBHCZBKZYBWMN-MRXNPFEDSA-N 441.513 1.662 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1760205634 GMTOYVQPFYPREW-LEWJYISDSA-N 449.559 1.576 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)CC1 1760261801 CPLHRADDQGDHRZ-UHFFFAOYSA-N 445.564 1.588 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)N(C)CC)CC1 1760263877 SGPNVVGEDGKQHB-UHFFFAOYSA-N 442.589 1.813 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 1760359269 DGZCKWNHMJQATE-UHFFFAOYSA-N 425.555 1.007 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(NC(N)=O)cc2)CC1 1760389937 XDCQYIPSKCZFLW-MRXNPFEDSA-N 430.534 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](C(=O)OC)C1 1760557254 FTWCILNOGGHCJB-GOSISDBHSA-N 432.546 1.663 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760850912 HSLUVEFQSDEBRK-JZJYNLBNSA-N 429.525 1.280 30 10 IDEE Cc1nnc(N2CCN(CC3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762619791 FUZPVPBSJZHGRM-MRCUWXFGSA-N 427.553 1.815 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1Cc1ccc(C#N)o1 1764108430 IGOLMELPRXXBFA-UHFFFAOYSA-N 427.509 1.672 30 10 IDEE CCN(CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C 1765279377 VOVWVKJBJAKQHO-TYPHKJRUSA-N 445.612 1.909 30 10 IDEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1768151420 JJCRZQGIXPJREH-QGZVFWFLSA-N 427.484 1.603 30 10 IDEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1768518849 NUFARXJDVCCSGI-NRFANRHFSA-N 430.484 1.736 30 10 IDEE COCCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1771266119 VZDYIBIRCMYIBR-KRWDZBQOSA-N 425.555 1.363 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1771358985 VKPLUCOCGIHMRE-UHFFFAOYSA-N 431.518 1.390 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772791092 YQSQCSJMTWGMPL-UHFFFAOYSA-N 430.438 1.384 30 10 IDEE CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)c1ncccc1C#N 1851624321 DSPAQCWPBZKDJS-FQEVSTJZSA-N 437.525 1.739 30 10 IDEE N#Cc1ccnc(N2CCN(CCNC(=O)[C@@H]3Cc4c(ccc5ccccc45)O3)CC2)n1 1851865996 VVZAOELRQCLCCT-QFIPXVFZSA-N 428.496 1.743 30 10 IDEE Cc1nc(C(=O)N2CCN(CCn3ncccc3=O)CC2)c(C#N)c(C)c1Br 1852368565 UAVSNNYKRCNDRC-UHFFFAOYSA-N 445.321 1.347 30 10 IDEE CN(C)C(=O)COc1cccc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1 1852450550 OJZOVARWWQNGQB-UHFFFAOYSA-N 426.517 1.768 30 10 IDEE N#Cc1ccc(C(=O)O[C@@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)cc1F 1852671912 YXCXIGWDYRPLPX-HXUWFJFHSA-N 441.459 1.662 30 10 IDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCN(C)C1=O 1852959275 BTEUVJBNSLQHPT-IUODEOHRSA-N 444.351 1.361 30 10 IDEE CO[C@@H](C)C(=NOCC[C@H]1CCCCN1C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853518754 DUZFUYRBZZRQKS-GOEBONIOSA-N 438.550 1.699 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)[C@H](F)CC(F)(F)F)C1=O 1854283996 RLWFYIDBZZDKGR-OCCSQVGLSA-N 428.390 1.277 30 10 IDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C1=O)CC2 1856533026 GAYQPQHFYLDDNK-HKUYNNGSSA-N 429.542 1.994 30 10 IDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1857242846 QHTLPWVJDABPKQ-MOPGFXCFSA-N 437.606 1.854 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862184068 ZYBFIYQXIQAGLV-WMZOPIPTSA-N 427.501 1.922 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN1CCN(C)CC1 1870641249 UGGDOOQJSPLZGJ-UHFFFAOYSA-N 440.544 1.486 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](CCS)C(=O)O 1984819661 KYFPYGOHDKIGJW-CABCVRRESA-N 440.518 1.903 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 2022914027 IKICABFVOHNQKL-VTJXTGGHSA-N 438.525 1.624 30 10 IDEE CC(C)(C#CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O)NC(=O)OC(C)(C)C 2023915200 WHZPCWBIMBSHTA-AWEZNQCLSA-N 439.509 1.826 30 10 IDEE C=C(CNC(=O)[C@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2077061089 GJRGFLJKFPGPRW-CQSZACIVSA-N 433.318 1.701 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243418481 DRKKSDUKXNMPKO-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)C1 2247554930 WZWJWPNEQKRRFZ-OJLPUSQMSA-N 437.537 1.780 30 10 IDEE C=C(CS(=O)(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247909249 HEBVZLKZTPXILY-CYBMUJFWSA-N 440.293 1.894 30 10 IDEE CCn1cc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653469 JBUXPTMBXCMTKO-UHFFFAOYSA-N 434.346 1.988 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255708009 DPCTWAGQYXMPDK-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2255820871 BODOHQHUTFGWTF-QDMKHBRRSA-N 432.330 1.314 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255826181 MAJXKOPWZIUOFQ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255874330 KYEWYACBYKCTGA-CQSZACIVSA-N 432.330 1.857 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2267113328 RXMPDISCTZGNNK-ZDUSSCGKSA-N 447.345 1.244 30 10 IDEE Cn1nc(C(=O)NC[C@H]2COCCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267120230 HESMSELLHFWSIN-SFHVURJKSA-N 440.353 1.350 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267275598 PWCZGTLOXYQHQT-PEBXRYMYSA-N 444.341 1.763 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)c2)OC1(C)C 2267278963 DWHZCFNDAJJKQI-LNSITVRQSA-N 441.259 1.986 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267504238 PMVJBDDWLYRCOI-SQWLQELKSA-N 446.357 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)n1 2267544041 OKBYRACUVOBKJX-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2267546053 QULPWHSSHITFDL-QZTJIDSGSA-N 437.353 1.318 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2267589969 ILLBIWFCTUBNJX-NVXWUHKLSA-N 449.357 1.517 30 10 IDEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267597491 QTQHTONYDFGRFR-UONOGXRCSA-N 449.361 1.490 30 10 IDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267873805 SHAZXNOBTGAAKG-MIFYACCESA-N 444.341 1.713 30 10 IDEE Cc1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2COC2)ncc1B1OC(C)(C)C(C)(C)O1 2268699743 UDAUHWYTDQRMJM-HNNXBMFYSA-N 448.329 1.562 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2271391113 YIBIOKOTQQFCBU-UONOGXRCSA-N 449.361 1.632 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 2315602628 SXDAMBYIBFZXSX-AWEZNQCLSA-N 434.346 1.752 30 10 IDEE Cn1nc(Br)c(Br)c1[C@@H](C#CC1(S(C)(=O)=O)CC1)NN 2367836367 JVNFDQKNPUTQLP-SSDOTTSWSA-N 426.134 1.030 30 10 IDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]1(COC3=O)[C@@H](COC(C)=O)C(C)(C)CC[C@H]1OC(C)=O 257477914 LUXJXSFHXOVGTA-YGHQDKGDSA-N 448.512 1.973 30 10 IDEE biogenic C=CCc1cc(CNC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1OC 410213871 IALKHQFYFXMOOP-IAGOWNOFSA-N 425.551 1.949 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 441499764 AGHRFRVNGLSYSA-UHFFFAOYSA-N 438.513 1.839 30 10 IDEE COc1cc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)ccc1C#N 460579291 HFCHMOSBRLJCBD-FQEVSTJZSA-N 433.468 1.733 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 485116224 JVYXNZACVFNOAS-MOPGFXCFSA-N 439.516 1.584 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1C#N 490538505 DGKTYXZWZAXUGC-UHFFFAOYSA-N 439.544 1.292 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)Nc3nnc(C)s3)cc21 526885826 NDMZVVXVIGKPPN-ZEKRQZSVSA-N 448.526 1.717 30 10 IDEE CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCC(Oc2ccc(C#N)cc2)CC1 530428694 NVCHEHRVVPVANT-UHFFFAOYSA-N 435.527 1.657 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 578177185 FHZHVZADJMFNFR-LJQANCHMSA-N 442.545 1.861 30 10 IDEE CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 586859845 KRXBLKGFVMFCRL-UHFFFAOYSA-N 443.523 1.106 30 10 IDEE CCOc1c(OC)cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1OC 725761953 BUVASJAJLYFZLQ-MRXNPFEDSA-N 441.509 1.531 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730138799 NCIQNXIPUQBLDE-LJQANCHMSA-N 445.589 1.311 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H](C)COC)c1 730144361 JVFNOVVYUJAQSG-VQIMIIECSA-N 430.574 1.950 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731862489 GEPKYQIDNGBNQS-UFVMTTLYSA-N 448.545 1.331 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccoc2)c1=O 732662857 ANVGRGLHXZQQPG-UHFFFAOYSA-N 437.546 1.879 30 10 IDEE N#C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2I)CCN1C1CC1 732678767 MEHLVDQSNFJJLK-CYBMUJFWSA-N 438.269 1.220 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N(C)CC3CC3)CC2)cc1 733191231 CFPQTNILAUOIJM-UHFFFAOYSA-N 436.534 1.671 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 735851615 BGJFGXNJJPUKKO-XAGMJWQQSA-N 427.379 1.478 30 10 IDEE COC(=O)c1ccsc1N1CC[C@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 745098623 FJNWGHDSSGPGQL-PVEMMZBWSA-N 433.442 1.100 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755186292 QSSQOKLOTSJASR-ZSDSOXJFSA-N 438.525 1.488 30 10 IDEE COc1cccc([C@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)c1 766626887 MKXIVXDXMDJQIF-GOSISDBHSA-N 429.498 1.724 30 10 IDEE C#CCN(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774235057 KLRGZQVUPQEBJD-OAQYLSRUSA-N 447.601 1.890 30 10 IDEE C=CCOc1cccnc1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 775540935 ZTXPKVQPJNKVPG-UHFFFAOYSA-N 432.282 1.301 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C1 780919222 BNWGWNCWSBWNFT-QZTJIDSGSA-N 430.505 1.471 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)n1 788964522 HLPBSYQOACBPEM-KRWDZBQOSA-N 447.561 1.686 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)n1 788966182 MSXHHCMNYZTUIJ-HSZRJFAPSA-N 438.576 1.663 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 789185393 RVMAOXYNCDPGAD-FUHWJXTLSA-N 430.509 1.433 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cc2ccc(F)cn2)CC1 795892605 VHSSOFMZCNOVJT-UHFFFAOYSA-N 439.403 1.775 30 10 IDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 798829112 JBGPKAWWSRYRJY-GOSISDBHSA-N 427.482 1.985 30 10 IDEE C#CCN(C(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 801919035 GFRSKRKNVOJQJH-CYBMUJFWSA-N 429.901 1.970 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 807689479 HCCTVOFRMAIDLC-GOSISDBHSA-N 428.510 1.877 30 10 IDEE CSCC[C@@H](C(=O)OCCOC1(C#N)CCOCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 809085442 ZXURAEQQANQERG-BBWFWOEESA-N 438.546 1.916 30 10 IDEE COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@@H]1CCN(O)C1=O 820184808 FKQJGXXAWPRUQM-MRXNPFEDSA-N 431.470 1.167 30 10 IDEE CCc1noc(C[C@]2(O)CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n1 856703068 WCMCLKHZABIGHR-HXUWFJFHSA-N 432.502 1.015 30 10 IDEE C[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 858004672 KBZLYBQUXSHMFV-SKVAFPRGSA-N 428.470 1.089 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC2(C#N)CCCC2)c1 917128940 YTGMVOIKBCUWOW-UHFFFAOYSA-N 430.324 1.940 30 10 IDEE CN(C)CCOc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 917343869 ASXQLOYKWOKFFQ-UHFFFAOYSA-N 444.557 1.762 30 10 IDEE CC(C)CN(CC(F)(F)F)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 919034027 JNIXKGBPHOWDJE-UHFFFAOYSA-N 435.424 1.427 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1124606275 GISVCPQWNBASGK-QGZVFWFLSA-N 439.534 1.516 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H]1C 1137886354 NHDXADSHABINDX-PDIVGGKMSA-N 448.564 1.869 30 10 IDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1147410727 OXSJNNFNSFNZOF-INIZCTEOSA-N 445.520 1.458 30 10 IDEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CCOCC2)c1 1147809110 GOZUGWYQUSYJLN-UHFFFAOYSA-N 439.497 1.535 30 10 IDEE Cc1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)ccc1I 1156278795 BCQWVBXESGRPLT-UHFFFAOYSA-N 438.225 1.440 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 1157996126 HNTSOKDDCQNVLC-MSOLQXFVSA-N 447.557 1.927 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@H](O)CC4(CCOCC4)C3)C2=O)cc1 1175501892 UZOOLHFSFHXUEO-MSOLQXFVSA-N 426.473 1.153 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 1188446705 NBAXKCRWFXFAOI-UHFFFAOYSA-N 440.477 1.386 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CC1 1194066076 CGDWRKMYPRTYIK-UHFFFAOYSA-N 436.349 1.392 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1253401400 HYFHCQHFECWVSO-KBXCAEBGSA-N 426.502 1.238 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286271333 SBVZWZORZLOITG-KRWDZBQOSA-N 440.523 1.996 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CSC)c1 1286396034 CHPHGRYNVZPPPY-MRXNPFEDSA-N 431.587 1.872 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nc(C)c(C)s2)CC1 1286478878 DCISRGGUTVZSJQ-KRWDZBQOSA-N 448.618 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)CN2CCOCC2)CC1 1286486538 OAJFZCUYIZIAER-RBUKOAKNSA-N 430.597 1.726 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOCC1 1286499650 NSOWAWCMUVSYCS-UHFFFAOYSA-N 443.573 1.851 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1286776084 CCUCZYWSMRVPSW-KURKYZTESA-N 435.525 1.739 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286784193 ATGBIYWPOPARLG-HNNXBMFYSA-N 433.534 1.269 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286788937 KLXSQUUGTJMRLY-INIZCTEOSA-N 430.940 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](COC)C1 1286816744 LHXXDQIEZWCWFS-INIZCTEOSA-N 436.534 1.406 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1294846417 BMKPZADWQMMGBM-GOSISDBHSA-N 444.561 1.746 30 10 IDEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)cn1 1295909035 HXQILOKOHRPOJJ-SFHVURJKSA-N 447.503 1.658 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C)CC2)c1 1298096569 DWJQFHKRZCARTI-MRXNPFEDSA-N 430.534 1.724 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1 1300268177 OHUTUEVWPIXTBM-OAHLLOKOSA-N 425.480 1.803 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2COCCO2)c1 1300334176 IFMCTZVOHDLSGK-QUCCMNQESA-N 439.516 1.644 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1300423301 LHROAWNRHJIDGY-UHFFFAOYSA-N 427.505 1.574 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@](C)=O)CC1 1300439062 ZFWKEHWHZSWCPT-LJAQVGFWSA-N 434.591 1.527 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300471570 GSVWLONKNPXFDS-UHFFFAOYSA-N 438.536 1.464 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1300556269 GMBPMLCNQZIMES-RBUKOAKNSA-N 442.589 1.876 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1300556289 HCDJWUUKUKMFJM-MRXNPFEDSA-N 433.509 1.569 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1300581645 VXESYZBNEMEDEQ-SFHVURJKSA-N 425.514 1.166 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1300631218 NPPGMMPTGBBOFP-KRWDZBQOSA-N 446.552 1.572 30 10 IDEE C#CC1(O)CCN(C(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)CC1 1301220207 YYBSSEIMTFYQLN-SFHVURJKSA-N 432.318 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C)C1 1301587176 RPABPPJOKHJPCG-INIZCTEOSA-N 430.534 1.343 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC(Nc4cccc(C#N)c4)C3)C2=O)cc1 1301633860 JLLZFCHIISTWDB-QHCPKHFHSA-N 433.468 1.657 30 10 IDEE COc1ccc(NC(=O)CN(C)[C@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1307993628 IYFNLJVQHQTWAJ-RDJZCZTQSA-N 436.534 1.279 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCN2CCSCC2)cc1 1316529142 BKEQRZCHLVTLNY-UHFFFAOYSA-N 425.562 1.567 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316537709 DWKNTPZWPILDSI-QZTJIDSGSA-N 445.955 1.959 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 1353692721 YAVWKMPLUFWXFD-GOSISDBHSA-N 438.550 1.041 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1358926842 DSYLVRSZAIDSGL-MRXNPFEDSA-N 433.516 1.662 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)nc2ccccc12 1358999890 GKMHIGWXBZZECM-OAHLLOKOSA-N 442.545 1.953 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N(C)C 1359016099 PIXVIWUKBGOLKH-UHFFFAOYSA-N 445.524 1.349 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H](C)C2)CC1 1359028625 YHPOZKNZVUKOEG-OAQYLSRUSA-N 441.624 1.781 30 10 IDEE C=C1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CC(=O)N(C)C)CC1 1359167493 IEGUAGIXOOXVPV-UHFFFAOYSA-N 437.592 1.887 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1359295996 TWJYFMYJCNKVCO-ZDUSSCGKSA-N 440.957 1.555 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359296430 JANFDZZDRHWLNT-QGZVFWFLSA-N 439.476 1.525 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1359466664 FQIFHIXAHIVCTI-CVEARBPZSA-N 425.603 1.749 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1359514161 XYQJIRJVGIQMJQ-ZWKOTPCHSA-N 425.537 1.709 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCc2nccn2C1 1360672175 NDIYZLXCAOYERT-GDBMZVCRSA-N 432.554 1.087 30 10 IDEE C=CC1(CC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1445289277 SCQUEZGSXGYATC-INIZCTEOSA-N 429.583 1.377 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CO2)C1 1453256204 HSVPSNRTPFPOHZ-IRXDYDNUSA-N 440.500 1.806 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1463162770 GAIKDLOCQVEKRK-XTQGRXLLSA-N 425.304 1.712 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)s1 1463976652 YJBAHGRCVLRCAM-UHFFFAOYSA-N 449.554 1.866 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)C2)c1 1470618430 NMVUJZUTNILOHW-UHFFFAOYSA-N 446.554 1.641 30 10 IDEE COc1cc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c([N+](=O)[O-])cc1OCC(F)F 1473824652 PBZUSSJHRYLOSQ-SJCJKPOMSA-N 431.417 1.617 30 10 IDEE COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1475400569 GPNCAAXYENSFPF-NSHDSACASA-N 434.287 1.185 30 10 IDEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCN(C)CC1 1478511281 LUONSMAKBMBBEY-UHFFFAOYSA-N 430.933 1.496 30 10 IDEE C#CCN(C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1478932374 ZOKCIAITVFNAFE-CVEARBPZSA-N 427.567 1.996 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cs1 1492674842 ISVRCFISIFUKPR-KDOFPFPSSA-N 438.554 1.901 30 10 IDEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)ccc1C 1504093174 BJGICIWPAXBODE-IAGOWNOFSA-N 431.518 1.274 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507603742 UJRJPKVYPYCMEY-GFCCVEGCSA-N 441.355 1.387 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507629265 RUZPLLOWAVIDSV-MRXNPFEDSA-N 433.534 1.245 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507631146 MLYTVYJJJIEECU-LJQANCHMSA-N 447.609 1.424 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507633846 JRHCLWQNAMGVQX-GOSISDBHSA-N 447.536 1.881 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc(C)nc(N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 1507634870 QFQYPDFVZNBYDP-LJQANCHMSA-N 442.589 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCn2ccnc2C)CC1 1507738437 OZFYJAIJFZOIRQ-UHFFFAOYSA-N 432.532 1.819 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1507754210 VENQRLJCYKCVHG-KRWDZBQOSA-N 429.550 1.078 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507755187 RZBCOJHLQGWCTG-QGZVFWFLSA-N 429.550 1.214 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1507957522 PUUXDFSBEJJMRR-MRXNPFEDSA-N 427.509 1.575 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508079478 XFMFJYBJZKNZRP-NRFANRHFSA-N 426.477 1.287 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1508081289 WMNSAFRTWCODDU-UHFFFAOYSA-N 449.494 1.318 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1508088912 CSGHWVKVGDXXGY-UHFFFAOYSA-N 428.541 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508135491 IVZPQAVQCSQJGP-MOPGFXCFSA-N 432.546 1.930 30 10 IDEE CS(=O)(=O)CCn1cccc(NC(=O)Cc2ccc(Br)cc2C#N)c1=O 1527621473 DCCCOZDBTBVHAR-UHFFFAOYSA-N 438.303 1.708 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1532528996 HFXLYHKHOLKDSI-GFCCVEGCSA-N 445.950 1.860 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCN2CCOC[C@H]2C)c1 1539046266 PCDRJMZMVSBFFB-GOSISDBHSA-N 440.548 1.592 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 1539202032 FEZKGCJCBHJVLR-OAHLLOKOSA-N 432.575 1.960 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1539431264 SLLCNMLOHUWUGD-RDPSFJRHSA-N 444.624 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)C(C)C)CC1 1539469633 SMSZSAZTNXCHDO-CVDCTZTESA-N 447.580 1.567 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1539890973 XFZIJBWMNAPXMS-CYBMUJFWSA-N 435.472 1.261 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539902390 GHMCEVBXQVMOCJ-DOTOQJQBSA-N 440.614 1.795 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1540889808 UNWBWKLEPSYQAK-MOPGFXCFSA-N 440.548 1.925 30 10 IDEE CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978162 IISQKZIMJSVBSO-LYHOESIGSA-N 426.473 1.676 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccc(F)cc2)n1 1543066471 DQOZSZYECWHTRM-UGKGYDQZSA-N 439.495 1.915 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2snc(C)c2C#N)CC1 1544875601 ZMPAWQORRZWERR-UHFFFAOYSA-N 433.559 1.844 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNS(=O)(=O)CC 1545761361 QLFUPMQHNASOLH-MOPGFXCFSA-N 446.577 1.878 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1555606203 MTCNDSOZFNUTEJ-KRWDZBQOSA-N 439.564 1.746 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)cc1 1556717654 WVCFUKFRWLKVAT-UHFFFAOYSA-N 425.466 1.632 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@H](C)C(=O)OC)c(F)c2)cc1 1557526721 ATMVQNURPDXADA-CYBMUJFWSA-N 434.445 1.930 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)OC(C)(C)C)CCOCC1 1557651284 KDWOLITWEHCEPP-AWEZNQCLSA-N 437.518 1.232 30 10 IDEE C[C@@H](CC(=O)NCC(F)(F)C1(O)CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1559044380 JSHPFLAWGSIHOZ-ZDUSSCGKSA-N 429.489 1.950 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1587989848 PJKQPOZRFDAZQU-GOSISDBHSA-N 433.534 1.046 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(SC)CCN(C)CC2)CC1 1588800680 MQESOKJGGROZCK-UHFFFAOYSA-N 427.622 1.866 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)O 1589171349 BPRIOYXFVRCVKZ-OAQYLSRUSA-N 431.562 1.958 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595544600 KRDCBAVXJKXBMO-LJQANCHMSA-N 444.580 1.703 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595555498 AMUWVFFBGPKNNK-SFHVURJKSA-N 437.504 1.749 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2)c1cc[nH]n1 1597235389 FOVFVWXBMMUJKW-UHFFFAOYSA-N 443.460 1.714 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1C[C@@H]1C 1611706919 HUKCKXHSKQXBNF-YQQAZPJKSA-N 444.565 1.138 30 10 IDEE Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612595742 BZHJZJHBIPBVRU-IUDBQGPFSA-N 427.431 1.186 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)n1 1618758521 FSSABIGWXHFOIZ-QFIPXVFZSA-N 434.537 1.813 30 10 IDEE COC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1618917624 DPUDAOUMUGSVRG-NVXWUHKLSA-N 426.525 1.931 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCS(=O)(=O)C1 1620083461 YZNQWBLUFGIIED-QAETUUGQSA-N 425.555 1.565 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)N3CCN(CCC#N)CC3)cn2)CC1 1623786870 ANYKJMPHTXYMFI-UHFFFAOYSA-N 444.540 1.597 30 10 IDEE C[C@H](CC(=O)NCc1nn(C)cc1Br)/N=C1/NS(=O)(=O)c2ccccc21 1627942346 JAQALVYTOZAWAA-SNVBAGLBSA-N 440.323 1.316 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1)c1cc[nH]n1 1632292010 JEEQUZSTUVQBPN-SFHVURJKSA-N 443.504 1.019 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 1632710917 GYKCBJWXWPRWRS-LJQANCHMSA-N 428.533 1.736 30 10 IDEE C[C@H](CC(=O)NCCn1ccc(C(F)(F)F)n1)/N=C1/NS(=O)(=O)c2ccccc21 1637344148 GWRVUFLPGZXRPF-LLVKDONJSA-N 429.424 1.535 30 10 IDEE C=CCn1cc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)nn1 1638491550 BWLGQGDSLUPPGC-JOCHJYFZSA-N 444.495 1.594 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 1639270461 XDWNKRDGTVMIOK-PGRDOPGGSA-N 439.516 1.211 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1645679764 JIKGURRHLHHIRJ-MGPUTAFESA-N 431.961 1.754 30 10 IDEE CCc1nc(C#N)cc(N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)n1 1652157815 VZQPXJIMUZORPA-XHSDSOJGSA-N 428.493 1.929 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Br)cnc2N)c1 1654103192 JWAWUUCRODISFM-UHFFFAOYSA-N 425.308 1.821 30 10 IDEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)N(C)[C@H](C)CC#N)CC1 1655405243 FYMUYQKIWNWLEQ-HZPDHXFCSA-N 442.607 1.684 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(F)c1 1668975912 CWUKBKLLRJRVPX-SFHVURJKSA-N 445.472 1.953 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCC1(F)F 1690076770 AKAUYRPDAXNRRL-HZPDHXFCSA-N 445.536 1.896 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1690175253 SOIKLUGTUCECNF-ZWKOTPCHSA-N 438.619 1.800 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)C 1690198564 SZWXBLSFAPGZSL-JOCHJYFZSA-N 433.520 1.828 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690721107 XOUIOJGQCKJBAK-QGZVFWFLSA-N 444.561 1.410 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1696676341 LGEFOVKZINZEFZ-SFHVURJKSA-N 432.550 1.572 30 10 IDEE COC1(C)CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697217918 OAKFIKRHGFKBQU-MRCUWXFGSA-N 436.516 1.815 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1698193399 ZKCRSGCBOVREPM-LJQANCHMSA-N 426.521 1.927 30 10 IDEE C#CCN(c1nnc(CC)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1705569611 FEYGBXFIAGQUPY-SFHVURJKSA-N 429.546 1.206 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1705589611 UADJRLUQNQSRGB-QGZVFWFLSA-N 429.546 1.546 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1705597242 ZIKLDDQAJFFTOI-IAGOWNOFSA-N 428.537 1.995 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 1705628511 JHEWKOLBBPERPQ-ZWKOTPCHSA-N 449.552 1.852 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1705635029 PGWQUGCLLMYBCZ-XUZZJYLKSA-N 444.624 1.950 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705651536 ASZBQHHSWFGGHN-HRAATJIYSA-N 435.594 1.947 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1705668244 HJBAQEGFGOODAH-RZQQEMMASA-N 431.566 1.340 30 10 IDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1705848623 YORPDNCEBTVVHW-UHFFFAOYSA-N 444.561 1.559 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705889609 MSYMXNMOUVXEPF-UHFFFAOYSA-N 443.552 1.572 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCOC1 1705931259 KLUAFDUVNZLSAE-INIZCTEOSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC[C@H](C2CCC2)C1 1705934239 GHLBTSDDKYXOFO-IAGOWNOFSA-N 437.566 1.083 30 10 IDEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)N1CCCC1 1708770508 AMJMWBONYDQTLQ-HLIPFELVSA-N 437.614 1.893 30 10 IDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 1710188498 HMBAKEGAXYJNPH-INIZCTEOSA-N 434.504 1.660 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712710517 JFXOINVFQMDJSQ-UHFFFAOYSA-N 443.577 1.289 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](n4cncn4)C3)n2CC(=O)NCC(F)F)c1 1712878650 PKXXXQAZRZSYAV-MRXNPFEDSA-N 441.446 1.631 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722316000 YMDGTPCPWQPQJK-LJQANCHMSA-N 435.532 1.458 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722366548 HVKACVIXICSBPD-RADWXHQJSA-N 443.573 1.826 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1722403626 YHWSIMZQMQZZPO-QGZVFWFLSA-N 449.490 1.868 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722459820 RVKLPGIJCDFSJJ-SFHVURJKSA-N 427.578 1.964 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CCc2ccccc2)CC1 1722697073 FLTJKMCIICKZOA-UHFFFAOYSA-N 433.560 1.951 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C 1722704904 ZHWLAKVASGBNBX-LJQANCHMSA-N 439.564 1.226 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1726639672 SFCSCPXFFQHCFL-RLBWVDARSA-N 435.488 1.138 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CCOCC(F)F 1726642955 KHVAITUNRZEIJO-GDBMZVCRSA-N 448.478 1.788 30 10 IDEE CCN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1728261780 APGBQSUVRSHHGW-MRXNPFEDSA-N 425.541 1.526 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1729543300 UHTSCBKFOAZAOY-IBGZPJMESA-N 437.548 1.500 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1730762608 HOZFFNQLPXSJJW-GOSISDBHSA-N 439.520 1.346 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CC2(O)CCS(=O)(=O)CC2)c1 1731178803 HRVFIRJIIJEOQX-UHFFFAOYSA-N 437.472 1.602 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCC[C@H]1CO 1740542057 NEWDPOFFOKYJMP-NQIIRXRSSA-N 449.563 1.616 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1740601240 TXFAQYHKKFDSPX-CYBMUJFWSA-N 428.559 1.261 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1OC 1740602617 POYISGYUOSYPLI-PKOBYXMFSA-N 447.561 1.316 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1740686744 LLSAVUSYSFJUTK-UHFFFAOYSA-N 447.543 1.630 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1740703850 CECAIHXBMZNNIF-MSOLQXFVSA-N 439.564 1.850 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740750842 FYYHONUDKGCEHG-QRVBRYPASA-N 446.596 1.946 30 10 IDEE CCC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1745269322 QESCMWAAHUUCOZ-CEXWTWQISA-N 427.505 1.992 30 10 IDEE CN(CCC(F)F)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1747889005 KZVDLHACZJAEQW-HNENSFHCSA-N 431.447 1.882 30 10 IDEE CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1748393070 DHNVHPYACQWXOT-SFHVURJKSA-N 437.548 1.629 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1748809145 JRDMQKQTAGDEOZ-AZUAARDMSA-N 427.574 1.914 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCCC1 1748960271 GAVTWYCWIPKFDC-KRWDZBQOSA-N 428.537 1.824 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1748999089 HZNJCVBJKWNZRG-AUSIDOKSSA-N 425.533 1.461 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1749375190 DBUVOGSPELNBCF-QGZVFWFLSA-N 442.495 1.820 30 10 IDEE COC[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749522668 FNVZQGXAQWECKR-YLEKHRKWSA-N 430.509 1.519 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749660018 MDQYYWDWBYARJM-GOSISDBHSA-N 440.548 1.414 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@@H]2C(C)C)C1 1749697780 NJSHCTRJIJQPDJ-WNRNVDISSA-N 441.598 1.731 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC(F)(F)F)CCOC1 1750062951 ZKERQTAEZPWRBP-DYVFJYSZSA-N 432.447 1.593 30 10 IDEE CC(C)Cc1nnc(N2CCC(CCC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750730837 GFIOCEQYTLOINT-QZQOTICOSA-N 443.552 1.485 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1760099837 MQYZOOSZANDZFU-SBUREZEXSA-N 425.533 1.990 30 10 IDEE C#CCCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OCC)CCOC1 1760142693 KABGVLXNTYHNHR-QFIPXVFZSA-N 425.537 1.850 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)C2CC2)CC1 1760270680 VZMKYLPEGFCLNK-UHFFFAOYSA-N 448.571 1.669 30 10 IDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760436064 GSAKFVORQYYPJQ-QGZVFWFLSA-N 447.565 1.332 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1760520812 AGWDGHCEKVZJKQ-MSOLQXFVSA-N 426.521 1.400 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1760521347 QDHBVVRRORGQGC-LJQANCHMSA-N 438.532 1.924 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccsc1 1760522850 ZQZRQGFJAVVOQB-CVEARBPZSA-N 435.575 1.885 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760523582 CCMZFEBYYXNEBF-MSOLQXFVSA-N 445.568 1.057 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765248532 PVBGQZQIPVXDNT-LQTLECTNSA-N 447.499 1.958 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CC[C@](F)(C#N)C1 1768287346 PWQFEESJAHABES-FQEVSTJZSA-N 434.541 1.949 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)OC 1769237725 HJXAMHQCNJZKST-MSOLQXFVSA-N 425.493 1.034 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1769368471 DFPLRZIHBVSDTR-YJBOKZPZSA-N 429.550 1.039 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)OC 1770010465 XBXRNUITSSAPKW-AWEZNQCLSA-N 430.509 1.962 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1770980762 DVYMKJXHLILXDA-SFTDATJTSA-N 430.509 1.923 30 10 IDEE CS(=O)(=O)CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1771351032 ARBITTYVOBUVGG-UHFFFAOYSA-N 436.582 1.745 30 10 IDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)OC[C@@H](C#N)Cc1ccc(Br)cc1 1850657504 SAGNNNBSDXEBGA-UKRRQHHQSA-N 429.292 1.278 30 10 IDEE Cc1ccn(-c2cc(N3CCN(CCNC(=O)Nc4ccc(C#N)cc4)CC3)ncn2)n1 1852012971 VUJURVACDTUWKO-UHFFFAOYSA-N 431.504 1.786 30 10 IDEE C=CCN1C[C@H](C(=O)Nc2c(-c3ccccc3)cnc3nc(N4CCOCC4)nn23)CC1=O 1852331939 WWGBCLUDFAKJPP-QGZVFWFLSA-N 447.499 1.601 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1OC 1852450304 KMEQMUFPFOBBGP-RDJZCZTQSA-N 438.440 1.687 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C(=O)C23CCCCC3)cc1 1856583694 OGZGQPYLLPLHQJ-LJQANCHMSA-N 429.542 1.867 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2csc(-n3cccc3)n2)C1=O 1856735835 PZIVDPLIWVJGOQ-SJORKVTESA-N 427.530 1.784 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1=O 1856805995 WAXZHIGQRZNNCM-GXTWGEPZSA-N 448.419 1.588 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)Cn2cccc2)CC1 1857255597 SWTOFXCCPFCSMC-UHFFFAOYSA-N 426.498 1.918 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C(=O)C2)cc1 1857374815 GKEQALOJYPGZDS-UHFFFAOYSA-N 425.510 1.983 30 10 IDEE CC(C)[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868783909 UIQASKUJBKVRRP-UYAOXDASSA-N 431.606 1.940 30 10 IDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1870155517 QREHUQQROMDUJC-UHFFFAOYSA-N 431.368 1.590 30 10 IDEE C=CCn1nc(C)c(I)c1C(=O)N1CCN(C(=O)OCC)CC1 1871335829 DJTMPTJLEPKPIM-UHFFFAOYSA-N 432.262 1.896 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCOC1 2124520879 ZRUCWTDEVVQZCT-NRFANRHFSA-N 448.329 1.740 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCO1 2124532633 LBSFPPYSDNLJEO-HUUCEWRRSA-N 448.329 1.787 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC(OCc3ccccc3)C2)n1 2247902587 AXWJDVVSBCLZLZ-UHFFFAOYSA-N 433.339 1.309 30 10 IDEE Cc1ccnc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255634579 ACVSXPCADRJFKP-CQSZACIVSA-N 433.314 1.970 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255813741 QOGZWEGETYBTGC-OAQYLSRUSA-N 436.314 1.681 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2255875350 WQTKSGAPNGDNCQ-SCAQPMJSSA-N 431.342 1.919 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2255886078 BJOUVWNKNOFLKR-HNNXBMFYSA-N 435.330 1.338 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](OCc2ccccc2)C1 2255950733 SUIXWEVHRZIZQX-MRXNPFEDSA-N 448.354 1.094 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267127551 JWXBOCRGCILUPT-AAEUAGOBSA-N 444.263 1.391 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2267239138 NVIOYDRLNHDMSB-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 2267517469 UDHOGJDJNCHEKV-UHFFFAOYSA-N 446.357 1.895 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2267543854 LLMIUGLUTCQIKG-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322307212 VLJUYWSOXIDDAV-GFCCVEGCSA-N 437.277 1.939 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)O 2337286943 FZHRQANGSRYFKI-GOEBONIOSA-N 443.309 1.508 30 10 IDEE COCCOC(=O)c1sc2ncn([C@H](C)C(=O)Nc3c(C#N)cnn3C)c(=O)c2c1C 16893221 PVCIWKOWJAICBT-LLVKDONJSA-N 444.473 1.375 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 27165601 TZWOTZRLTMUZIW-UHFFFAOYSA-N 436.578 1.086 30 10 IDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 28902660 BLBUCOFRCPYNPP-UHFFFAOYSA-N 427.318 1.837 30 10 IDEE C=CCOc1ccccc1[C@@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@H]1C#N 72443923 RVEXDKFKTMGCEQ-RDJZCZTQSA-N 448.483 1.260 30 10 IDEE N#Cc1ccc(N2C(=O)C(c3ccc([N+](=O)[O-])cc3)=C(N3CCN(CCO)CC3)C2=O)cc1 169981454 KPMHZHUIIJQPIV-UHFFFAOYSA-N 447.451 1.361 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3ccc(C#N)c(OC)c3)C2)cc1 462477643 PYNIEUSZFDRXAQ-UHFFFAOYSA-N 430.486 1.448 30 10 IDEE COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 469889891 ALZPGLSTQBJDBW-HOJAQTOUSA-N 445.541 1.759 30 10 IDEE COc1ccc(N2C(=O)C[C@@H](N3CCN(c4c(C#N)c(C)nn4C)CC3)C2=O)cc1Cl 472093325 ATEJCLYLBIZWEW-QGZVFWFLSA-N 442.907 1.716 30 10 IDEE COc1ccc(C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 481783045 SIVBTZYYPWSRIW-LSDHHAIUSA-N 431.514 1.990 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 492320526 NRYRFJQNMDWENQ-JOCHJYFZSA-N 434.540 1.994 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCc4cccc(C#N)c4)CC3)C2=O)n(C)n1 508048392 XXCDVDLMJKRCDM-HXUWFJFHSA-N 435.532 1.623 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)cc2C1=O 511770547 GWRQXWLHDQLTLP-AWEZNQCLSA-N 443.500 1.777 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 514078322 JNSHPFOEGPBASM-UHOSZYNNSA-N 430.530 1.532 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(F)cc1 514492492 FKYDEOYHJHDDDS-CYBMUJFWSA-N 443.525 1.754 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cc1C#N 533544810 JNAWAIWUXKVPSY-MRXNPFEDSA-N 449.532 1.699 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCCO3)CC2)c1 549660211 NQHLNULIHYMXGH-RTBURBONSA-N 439.520 1.528 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 561544521 RFCUFFWAKGSDID-LLVKDONJSA-N 436.353 1.365 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 577654666 GTUSLLAVWJVBQO-OAQYLSRUSA-N 427.593 1.917 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(C)c1=O 579312968 YHSPSPICKHXLJK-UHFFFAOYSA-N 447.289 1.468 30 10 IDEE CC(C)C[C@@H](C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 611250120 COVOHFKQRQXBJF-AWEZNQCLSA-N 432.502 1.629 30 10 IDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 623010578 ANXWRRMBEGXBQW-UHFFFAOYSA-N 439.537 1.269 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)CCN1C1CC1 732706917 RORZWUGALCTLBM-GOSISDBHSA-N 439.903 1.687 30 10 IDEE CCOC(=O)N1[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1c1ccc(C)o1 736558819 AXLYCKRJQBGHIJ-TUPYQCFKSA-N 430.461 1.893 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 762564649 KAWAZLPSOZRTLV-CRAIPNDOSA-N 435.546 1.973 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ncn(C)n2)cc1C 768422526 TVMXRDPKIPWZSK-QGZVFWFLSA-N 443.577 1.632 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)CCN1C1CC1 777984813 XOCSNKRXOVVWQW-QRSOYHKCSA-N 438.576 1.190 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 781648386 GIWWZKLVJLKOGK-GOSISDBHSA-N 440.569 1.958 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)COC3(C)CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 788105488 DBDDUUKRSBPXAM-UHFFFAOYSA-N 432.525 1.275 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCCN1C(=O)OC(C)(C)C 790193264 AFXCMTTZDCXSBM-UTKZUKDTSA-N 441.594 1.664 30 10 IDEE C=CCC1(C(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 791852398 FWRIOBPCEXKZJO-UHFFFAOYSA-N 436.530 1.727 30 10 IDEE C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCSc2ccccc21 853705930 REOZNOOAXHYFMW-AWEZNQCLSA-N 445.522 1.907 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 858082767 JOCLCUVDBGIFIJ-GOSISDBHSA-N 426.498 1.789 30 10 IDEE Cn1cc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)CCC2=O)cn1 1125705971 YNHGDJHMORMGLU-GOSISDBHSA-N 434.500 1.912 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)c1ncon1 1163868476 ALOKCHWXSVQIHL-RDTXWAMCSA-N 425.470 1.708 30 10 IDEE CC1(N2CCOCC2)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1234024212 PXXQNCNTDJCGSX-FQEVSTJZSA-N 425.533 1.950 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1286294865 GAVKVLMYKOALMB-HRCADAONSA-N 427.571 1.130 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 1286322079 COMKDPHDWWWGMD-SFHVURJKSA-N 449.581 1.267 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1286389275 HDFKBMOLYGRLMO-LJQANCHMSA-N 436.541 1.973 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1286409049 HWJHBZVUPGDZIJ-DLBZAZTESA-N 449.577 1.414 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1286443700 MHXIGIBYRLJBND-OALUTQOASA-N 436.516 1.855 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCc2nccn2C1 1286459762 PSHVZELYTVSBGT-GCJKJVERSA-N 428.537 1.475 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCOC)CC1 1286489190 IULNUZXQZFLSBU-UHFFFAOYSA-N 449.559 1.361 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2([S@@](C)=O)CCC2)CC1 1286489849 GGJAZNMQCKNMCK-WJOKGBTCSA-N 440.573 1.607 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C)n2)C1 1286800186 HPKFRZXTJHAEMK-FUHWJXTLSA-N 434.566 1.616 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1286821355 IDPKVXNIYGVKOK-MOPGFXCFSA-N 431.562 1.728 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286822404 JMSGGBGEXQUOHX-INIZCTEOSA-N 430.596 1.235 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 1292853973 ABGVDSIVYKGBNI-UHFFFAOYSA-N 442.516 1.881 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1296860107 VGXJGQYDDKRSHF-UHFFFAOYSA-N 437.518 1.476 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC(F)F 1300465867 RNUOIMDMUCEPOK-CQSZACIVSA-N 429.468 1.938 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 1300491328 HATHJEYUEPUOND-KRWDZBQOSA-N 442.545 1.105 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1C(C)(C)C 1300554907 MHHOKMPKVRSBIL-UHFFFAOYSA-N 431.504 1.783 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)CC1 1300751699 NXJKLUDMOAVLNW-UHFFFAOYSA-N 429.546 1.809 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(S(C)(=O)=O)cc1 1301272116 BTGRRQDKMJIRGN-AWEZNQCLSA-N 441.579 1.157 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N(C)C)c2)C1 1301539748 WHSRPEOUHGWIRY-VQIMIIECSA-N 448.593 1.784 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1301973193 BYVYJTAHHPULFY-INIZCTEOSA-N 439.545 1.750 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1302496680 YMIBHEWUHSIUIY-RTBURBONSA-N 444.561 1.904 30 10 IDEE COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C(=O)N2 1304126273 ULIPMMTWLGTYRO-XLIONFOSSA-N 446.463 1.767 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1306255904 SIIYQYRCXOLEPO-STGLLQLASA-N 429.525 1.108 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1306255908 SIIYQYRCXOLEPO-UFOSLELVSA-N 429.525 1.108 30 10 IDEE CC/C=C/Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1306468395 WGDZKHRCBLOKEP-SQRWCISFSA-N 444.565 1.448 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1314528716 CDYXPCREHJAJAM-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314642028 AGHVNSVMSTUPSK-UHFFFAOYSA-N 448.506 1.689 30 10 IDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1315156940 OZXUWKLYMGXVSQ-MRXNPFEDSA-N 439.520 1.025 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccccc3OC)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1316114077 CEEPERCPAQAZGG-AOMKIAJQSA-N 442.495 1.891 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1316348479 CTPZJSZCZHQSJD-NRFANRHFSA-N 445.545 1.780 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCSCC1 1358946291 PMXMRHWDASGTOX-UHFFFAOYSA-N 437.573 1.793 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358967912 VLKAHXVYCOGBIE-PKOBYXMFSA-N 448.520 1.802 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCS(=O)(=O)C1 1358982481 YNMOJMCJFLGNEO-IBGZPJMESA-N 426.542 1.981 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1358999846 FKBAHMIAPWUJGF-OAHLLOKOSA-N 433.534 1.362 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1359020244 WMJRHTUKWYHZDN-QGZVFWFLSA-N 432.546 1.865 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359456309 VFULKBVITWJUFX-HUUCEWRRSA-N 432.550 1.601 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2I)CC1 1439400847 RSTXBQUCKVYIFU-UHFFFAOYSA-N 433.271 1.773 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1cc(I)ccc1-n1cnnn1 1448880417 CQQHUFIBCKTKTK-UHFFFAOYSA-N 440.289 1.847 30 10 IDEE C=CCC[C@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1468124483 DBXLGHMJFZQTKJ-SFHVURJKSA-N 438.546 1.898 30 10 IDEE C=C(Cl)C[C@H](NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OCC 1471119370 WDLKLOQSAPKGRV-NEPJUHHUSA-N 438.333 1.982 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OC 1475578999 ODMGBWUANYXHAS-NSHDSACASA-N 433.280 1.566 30 10 IDEE C=CC[C@H](CC)NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1478538721 XGUHGCANJLYEER-KRWDZBQOSA-N 437.566 1.289 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)C)c1 1507552587 QQXYCARLEZKPOL-KRWDZBQOSA-N 437.548 1.407 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1507615721 ASIGCQJOOZDRBQ-HZPDHXFCSA-N 437.566 1.649 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1507621096 PHEZRIAKRDZTBO-XMMPIXPASA-N 435.576 1.191 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCC1 1507645718 JCDCXMXSQORWPN-UHFFFAOYSA-N 426.498 1.714 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CSCCS2)CC1 1507719004 JQHZXVRMTJQYND-PXNSSMCTSA-N 437.635 1.534 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2sccc2C)CC1 1507731433 IMJIIFFLXZIVFV-QGZVFWFLSA-N 433.603 1.548 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cn3ccsc3n2)CC1 1507740675 CXAMJKBUJOTZPH-UHFFFAOYSA-N 427.534 1.538 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC)C1 1507804217 FAJHTBUJIVHVOP-UWVAXJGDSA-N 430.553 1.344 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507879648 GHDAJHWWXNEUDO-WUKBZCGHSA-N 442.520 1.613 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 1508090478 ILHFUGHSZYDSEJ-JKSUJKDBSA-N 429.525 1.975 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](OCC)C1 1508094067 YQQWTPWJFLKTEV-OAHLLOKOSA-N 432.550 1.577 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508096976 DUTIJFDGSYWYGM-NCOADZHNSA-N 448.568 1.558 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1508100433 KGHJILUNZSNDDO-IBGZPJMESA-N 435.488 1.299 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)C1 1508126135 RDBJRYTWTBCPMB-DLBZAZTESA-N 449.552 1.893 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1508139750 DIQYYRBBIYLIPW-SJORKVTESA-N 434.566 1.500 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1 1510375498 WMFHCJVVCMVJCA-UHFFFAOYSA-N 427.509 1.878 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@H](C)O[C@H](C)C2)cs1 1511545429 IJKNERALYMPKPN-JTDSTZFVSA-N 445.593 1.862 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3ccnn3)o2)cc1 1516310200 ULHZNIKEPMFFLX-PYCFMQQDSA-N 428.474 1.985 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1517481319 DRKNYFONYISPPO-QHCPKHFHSA-N 437.548 1.787 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1519381577 IKJPFEUOMSGKFW-IEBWSBKVSA-N 440.504 1.249 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1529683220 AUAPNFLCHNOLRM-MRXNPFEDSA-N 436.530 1.600 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539053110 ZIYLOOHTJHXGAP-MJGOQNOKSA-N 441.557 1.867 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1539053387 QVMQHTIFCUWJPB-CRAIPNDOSA-N 448.597 1.742 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 1539094314 NXGUCPVJELQQKR-HNNXBMFYSA-N 437.595 1.475 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539230887 QTXOFGOSSYBTPG-OWCLPIDISA-N 447.586 1.552 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1539231084 OFXCOVPJRPBCCL-BZSNNMDCSA-N 436.578 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)[C@H](C)CC)CC1 1539462850 MKJAIAZMWDQGEI-MJGOQNOKSA-N 444.580 1.541 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2ccccc2o1 1540863452 WURJZWYAQLMBEF-CQSZACIVSA-N 446.533 1.573 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)c2ccccc2C1 1540877230 OFWRXEMPKJMOHL-RXVVDRJESA-N 440.548 1.761 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540913092 HRJCEHSELOEFJY-UHFFFAOYSA-N 430.582 1.301 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2CCCO)CCOC1 1541723970 KZYCPHFYMWKJKE-OFNKIYASSA-N 446.596 1.905 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1545061684 VDGADSYUAJLUGV-HOTGVXAUSA-N 448.549 1.282 30 10 IDEE CN(C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1552861005 FGDPIHHYXDFLNU-UHFFFAOYSA-N 430.578 1.885 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C)cc(OC)c1OC 1554745141 FLUQNAJUHHSDPU-GOEBONIOSA-N 430.509 1.650 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC[C@@H]1C 1555173589 UUZBXBPOWFZYSW-JXFKEZNVSA-N 436.520 1.852 30 10 IDEE CC(C)(C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1)C(N)=O 1564688861 BARONTWEECPTOV-RBUKOAKNSA-N 425.533 1.982 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1564964338 AVRLTGYFKBWNAC-HZPDHXFCSA-N 428.470 1.351 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)COc2ccc(C#N)c(Br)c2)cn1 1569043849 KYEADHKVPSRLQG-OAHLLOKOSA-N 446.305 1.854 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)ccc1F 1585440530 HRZIJEYRDSGVOD-UHOFOFEASA-N 425.482 1.639 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1588007283 ZYZCKCLPXMGLFG-FCHUYYIVSA-N 438.576 1.252 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCS(C)(=O)=O 1588020199 INDIUJQYVCGCDI-HNNXBMFYSA-N 425.555 1.854 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1588053238 BJWZLWQGEMDMPR-WKRCXCSHSA-N 436.578 1.756 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588074513 NVINKSGIQUTULJ-AKHDSKFASA-N 436.578 1.962 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCCC)CC1 1588806467 RNNHGOOUUKKATB-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOC[C@H]2CCCO2)CC1 1588968040 FWXIPDMNPJWYRC-WOJBJXKFSA-N 445.564 1.681 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1588968041 FXUFXHLNEXADNU-KRWDZBQOSA-N 432.594 1.623 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1588975977 OGJRTRMMYDVHMJ-UHFFFAOYSA-N 425.518 1.318 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)CC1 1595570139 YRNQDJUNQBQWLN-UHFFFAOYSA-N 429.569 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1595784107 CPHASJVYOAPKQQ-HNNXBMFYSA-N 433.534 1.221 30 10 IDEE CNC(=O)CC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1618721702 BXGLOSJETRWTHD-CZIZESTLSA-N 427.509 1.034 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1619912541 GDSHXQLZJACHKW-PGRDOPGGSA-N 440.504 1.635 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)C1 1625522922 DGAZPEDWHSTTIL-QNBXZPKWSA-N 440.566 1.313 30 10 IDEE C=CCN1CCC(NC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1627255203 GNJRJRYBQHWWAK-TZIWHRDSSA-N 435.590 1.701 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 1630379798 YOXHZUDQZJZPIB-BPQIPLTHSA-N 428.489 1.542 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)ccc1Br 1632218548 DVAXCCGKEZVBLG-INIZCTEOSA-N 438.303 1.774 30 10 IDEE N#Cc1ccc(C2=CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)cc1 1633236408 GEHLFDAOHLIDPJ-NRFANRHFSA-N 434.471 1.916 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)cc1 1636021040 VWHXYXSJMHAGEJ-UHFFFAOYSA-N 435.527 1.409 30 10 IDEE CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 1639229796 MQNIYURCXQNFLI-HNENSFHCSA-N 448.520 1.531 30 10 IDEE CC1(C)OB(C2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)OC1(C)C 1643827205 BLHNLURREFEDOE-GDBMZVCRSA-N 440.371 1.107 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1645992224 YZAAJQPBBZKSJZ-NJNPRVFISA-N 445.541 1.745 30 10 IDEE Cn1c(N[C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c(C#N)c(=O)n(C)c1=O 1651447093 WQLZUTBGPYEPCP-PAVFIEEWSA-N 439.516 1.993 30 10 IDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1660389557 PIMZTENRWFXYIE-FQEVSTJZSA-N 428.514 1.821 30 10 IDEE CN1CCN(c2ccc(CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2)CC1 1682021857 OGCHARZEBIYNCE-QHCPKHFHSA-N 446.555 1.910 30 10 IDEE C#C[C@@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(Cl)cc1F 1683517019 OJTIKRSKVRDAQH-GOSISDBHSA-N 430.867 1.885 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1685266451 AWZCCYOCJGPURN-QZTJIDSGSA-N 448.564 1.716 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1689966019 ISALBZNSAFVCOZ-SFHVURJKSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)COCC2)[C@@H]1CCS(=O)(=O)C1 1689996384 HYSAVYBSTIRVSA-HXUWFJFHSA-N 444.557 1.562 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1689998174 DRIXOPSSWRPCHD-MANSERQUSA-N 434.562 1.738 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1689999633 FIHQOCYOWXLWQD-HZPDHXFCSA-N 434.591 1.326 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1 1690018048 RXZZEIQLXUHRCV-UHFFFAOYSA-N 439.524 1.037 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1690040802 PEFLSMKOUOMFMI-KRWDZBQOSA-N 440.525 1.962 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)C)CC1 1690665368 AXXOCMJDPUNZMQ-UHFFFAOYSA-N 428.537 1.795 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690668059 QXUJHFREEDNHNT-KRWDZBQOSA-N 425.537 1.332 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1690717787 QVRSFYUHFLFVKA-UHFFFAOYSA-N 444.517 1.306 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1695163719 WJOCTLNFBXOZCW-JROKQLJMSA-N 444.536 1.704 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCn2cc([C@H]3CCOC3)cn2)CCOC1 1696032294 XXXKHVWLAHYLPT-NPPFBWRTSA-N 443.552 1.927 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)CCOC1 1696085900 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10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1708036427 AEOQCBQYUMGQAZ-FYINFDKHSA-N 429.546 1.991 30 10 IDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CCOC1 1711622375 HNXPQGMRZUJSBK-YWZLYKJASA-N 433.534 1.492 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1722292803 ASQHARNSVIGFBG-YLJYHZDGSA-N 438.557 1.931 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCOC 1722296041 ZMFNFONKAAJMHI-QRWLVFNGSA-N 434.566 1.484 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722337584 FQYHJGDWAHWGHL-KRWDZBQOSA-N 442.545 1.612 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1 1722387950 SLKXYYDYAGEAAX-HKBQPEDESA-N 437.569 1.904 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1722453808 CWNNFJGCYMLAAV-SFHVURJKSA-N 443.573 1.850 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1722517677 MOEPCPJQQKNLPG-IAGOWNOFSA-N 425.555 1.706 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1722696616 QKSYBJNNCOPOKH-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cncn2)C1 1722726003 WRDMEDQCDMFIBK-INIZCTEOSA-N 430.538 1.317 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1722866599 BYOIBSAAWLURJQ-KBXCAEBGSA-N 436.476 1.540 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1740628421 XKOIKVUEMYXJAE-HZPDHXFCSA-N 435.575 1.498 30 10 IDEE C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1740629352 KQIIMPAMWNQOLO-BBWFWOEESA-N 449.577 1.862 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740843198 ASFUFGXGXVSXCA-XHSDSOJGSA-N 438.598 1.738 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)C1 1740979006 GCXKHRXRVUCSOT-MOPGFXCFSA-N 438.532 1.613 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1 1740987636 LACUBEODENUECF-UHFFFAOYSA-N 431.562 1.780 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740994033 HKCPDYZOMJVXPW-UHFFFAOYSA-N 428.518 1.366 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1741886990 XNLMHIWWFQIXJK-QRWLVFNGSA-N 433.534 1.492 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1748830381 VHLKZGHNJKBQDR-QPPBQGQZSA-N 443.592 1.748 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 1749649794 BBHXADAEWBONOR-QGZVFWFLSA-N 442.520 1.897 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749664709 XRRCEKOGPDZEOJ-CABCVRRESA-N 435.550 1.514 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1749680682 NQZFLGZYVMXQDT-SFHVURJKSA-N 440.548 1.739 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2nccs2)C1 1749697675 MFMDQYGEOBVCTM-QLFBSQMISA-N 440.595 1.930 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1750379614 GJSPYYKGRYZBNR-OXQOHEQNSA-N 448.524 1.504 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1751092750 BGDIPGZSRWOVLE-AWEZNQCLSA-N 428.522 1.307 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1760105320 NVWPBGXYHMESNP-AEFFLSMTSA-N 433.520 1.637 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760187219 UHQKQASLAKIRDB-HNNXBMFYSA-N 434.566 1.682 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189540 VHEUQSOZDKBTKU-AABGKKOBSA-N 449.621 1.878 30 10 IDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1760237942 BAIRMZXSHKTDAZ-UHFFFAOYSA-N 432.546 1.299 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1(C)C 1760243056 URGJSRSTSALBSN-CABCVRRESA-N 429.612 1.506 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC)CC1 1760271886 QAFIADWYSIHZOC-UHFFFAOYSA-N 435.532 1.519 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1)C1CC1 1760476713 DVBFNVNAYWEWDE-HKUYNNGSSA-N 437.610 1.692 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1760523429 XWAFMOBULGCEFB-MRXNPFEDSA-N 434.504 1.100 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1760550668 FZVAQYWLANLMQD-KRWDZBQOSA-N 436.513 1.727 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1=O 1761122026 WITHEOUOXWINEH-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1761252468 QCEHKUXJMQZUMC-HSZRJFAPSA-N 435.532 1.788 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)[C@@H]1C 1763007109 WJFZFLWDZHEBPJ-DAYGRLMNSA-N 437.504 1.952 30 10 IDEE CCOc1ncccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1767651566 VKGACDUXTRJCFN-KSZLIROESA-N 428.493 1.573 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](COCC(=O)N2Cc2ccccc2)C1 1849799462 VIANJFQFWCMDJU-PMACEKPBSA-N 425.510 1.996 30 10 IDEE COc1ccc(OC)c(-c2ccc(=O)n(CCC(=O)NCC3(C#N)CCOCC3)n2)c1 1849950380 LLPMTXNBVJTHDE-UHFFFAOYSA-N 426.473 1.754 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)CC1 1852327820 HKFXOMCAAGIRMR-NRFANRHFSA-N 449.486 1.909 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c3ccccn3)CC1)OCO2 1852855693 QUHQDENFRFQDMJ-LJQANCHMSA-N 447.495 1.564 30 10 IDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2csc3c2CCOC3)C1)[C@H]1CCN(C)C1=O 1857074186 CZXHSHQBGJJSCQ-QAPCUYQASA-N 431.558 1.918 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 1861512539 FNXMAYFBMYFCGQ-UTKZUKDTSA-N 447.491 1.982 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1 1862604436 DIDMWLAFUCSSOP-FQEVSTJZSA-N 438.436 1.878 30 10 IDEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1870106576 ANEXYUURHZCBEO-GFCCVEGCSA-N 445.395 1.729 30 10 IDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)ccc1O 1874435219 SZIYPTFNGODIIU-ODCIPOBUSA-N 435.506 1.802 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 1891110779 UVXYCVHHIQVGLQ-UHFFFAOYSA-N 444.532 1.622 30 10 IDEE C#CCN(CC(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1895863974 DRHMOLJVLFHBTO-ARFHVFGLSA-N 425.526 1.637 30 10 IDEE C[C@@H](c1nnnn1C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1 2069568609 NGGDZZKMHDGUQN-GOEBONIOSA-N 444.565 1.361 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(C)(C)O 2085657005 OYORIXMKMWCLHB-OAHLLOKOSA-N 435.330 1.984 30 10 IDEE COC1(CCNS(=O)(=O)c2cccnc2C#N)CN(C(=O)OCc2ccccc2)C1 2174779911 OECDFRYHILQHQW-UHFFFAOYSA-N 430.486 1.659 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247835008 FBHZDJYDOCLKIS-GFCCVEGCSA-N 441.359 1.400 30 10 IDEE CCN(CCCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255608494 MGFZEKAUHLWZAO-UHFFFAOYSA-N 437.350 1.491 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2255632754 QXDLJAOHTNGZOS-CYBMUJFWSA-N 431.302 1.294 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255652294 RZKDEZGUYIRVOU-ZFWWWQNUSA-N 434.346 1.847 30 10 IDEE Cn1nc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255844344 VJFHXHRWMWBBPR-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256062121 QOLXQHPLMXQNAR-ASSNKEHSSA-N 430.314 1.515 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 2267112665 JXRVCBLNNNJIDU-CQSZACIVSA-N 449.361 1.634 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2267120947 RKDQYJNVTSFXFT-QDMKHBRRSA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267173454 KZYSZKDVRUEPIZ-ZBFHGGJFSA-N 444.341 1.857 30 10 IDEE Cn1cc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267522492 VONMGPBSGUUSJY-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)n1 2267548982 WIEVSNTWIZNDAW-HSZRJFAPSA-N 439.369 1.899 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 2267598545 BIUIWBYHDSEFAF-KBPBESRZSA-N 441.259 1.702 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267879957 NJZGLOOZNBFKKY-KDURUIRLSA-N 434.349 1.980 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)CC(C)C)NC(=O)OCc1ccccc1 2270496467 NXWGEUKYRHAGKD-KRWDZBQOSA-N 425.507 1.656 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2323148982 XTIWACWWQALVTP-YYDVJCTNSA-N 444.532 1.833 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN[C@H](C(=O)C=Cc2ccc([N+](=O)[O-])s2)C1 2328106897 TZINLOBDXRRKCC-WBVHZDCISA-N 442.497 1.905 30 10 IDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2365203179 RSUDQLKLZAMRDY-SIKLNZKXSA-N 436.574 1.955 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)CC1 27559801 IPHDWEFFNPFKNM-UHFFFAOYSA-N 449.599 1.404 30 10 IDEE C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cc(OC)c(OC)cc1OC 32655100 HLWPBZHRHQBGHP-MRXNPFEDSA-N 429.429 1.650 30 10 IDEE CCOc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc([N+](=O)[O-])c1OCC 169884306 CQNGHGNDDDOFFE-DEDYPNTBSA-N 425.511 1.522 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N/N=C/c2cc(OC)c(OC)c([N+](=O)[O-])c2)c1 169903782 MFGFBQCKKNXTAN-VCHYOVAHSA-N 425.419 1.942 30 10 IDEE N#CC1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 443223916 HRYBSLGKVBNFCJ-UHFFFAOYSA-N 427.548 1.316 30 10 IDEE N#C[C@H](c1ccccc1)N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 471153136 FDLKYSVPDLPESP-HXUWFJFHSA-N 437.569 1.915 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 485933502 NWPBHLMQVUKSOJ-INIZCTEOSA-N 449.935 1.909 30 10 IDEE N#Cc1cc(C(=O)NCc2ccccc2N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)c[nH]1 489429051 IJVRGIHKKKTANW-UHFFFAOYSA-N 427.468 1.979 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(I)cc2)CC1 490133716 UQQBDHPIKBUNRC-UHFFFAOYSA-N 427.286 1.280 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CC[C@@H](C(=O)OC)C1 508957379 ZDVVXBIDCYKXOZ-QGZVFWFLSA-N 445.545 1.915 30 10 IDEE COc1c(F)cc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1S(N)(=O)=O 511770096 GYKKHDXEFKZJQN-KRWDZBQOSA-N 446.504 1.261 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 512960520 MCQYIALMOBAJHN-LJQANCHMSA-N 446.511 1.947 30 10 IDEE COCCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 516356478 PFKHRFSAZRGRLF-UHFFFAOYSA-N 434.562 1.140 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cncc3ccccc23)CC1 534702889 ZMMRXLAXYXOOGF-UHFFFAOYSA-N 449.492 1.578 30 10 IDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCOC)Cc1ccnn1C 574797912 NWUYWWXOVPJOJG-UHFFFAOYSA-N 434.504 1.765 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)/C=C/c2cccc(F)c2)C1 585824773 ZCYQMPTWRUDKLW-NZCLQKMISA-N 435.455 1.941 30 10 IDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCC#N)CCCNC(C)=O 586153340 IILPNEDZDNQXKP-UHFFFAOYSA-N 436.534 1.643 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 588934572 UNNVQZPXQUQJFI-UHFFFAOYSA-N 433.486 1.461 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1-c1ccc(F)cc1 611222409 HZUXABGLVYMSNO-UHFFFAOYSA-N 448.401 1.701 30 10 IDEE Cc1nccc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)n1 730142336 OEROFUNVGZHNIE-SFHVURJKSA-N 426.546 1.985 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730142970 QSPNKINZMMZCJR-CQSZACIVSA-N 425.942 1.085 30 10 IDEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732154996 WSXVSXOGIXIQIK-DMEQXSTQSA-N 431.468 1.292 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(OC(F)(F)F)cc1 741339369 FZCADTDRLHMKAR-MSUUIHNZSA-N 427.335 1.983 30 10 IDEE COc1ccc(CNC(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1C#N 746784330 CRHZNLXYIQLPAX-ROUUACIJSA-N 427.549 1.899 30 10 IDEE N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 749288255 DNJBKHKKWOKVCI-INIZCTEOSA-N 433.511 1.632 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C[C@H]1CCCO1 753360123 UEHNVEIKSICXPS-DZGCQCFKSA-N 443.525 1.322 30 10 IDEE COc1ccc(CN2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)c(OC)c1OC 754974811 ZBVWTXBHCWNZCE-UHFFFAOYSA-N 446.529 1.554 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(-c2ccc3c(c2)OCO3)c1=O 758068443 GVBKRCZAZSXVEP-UHFFFAOYSA-N 432.417 1.871 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cc(I)ccc1O 759711050 YMAOBJIQAOXZSF-CCEZHUSRSA-N 427.198 1.852 30 10 IDEE CCOc1ccc(NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 765581670 QTADXQRNCYHTIT-UHFFFAOYSA-N 443.529 1.365 30 10 IDEE CS(=O)(=O)N(c1ccc(OCCNC(=O)c2sccc2C#N)cc1)S(C)(=O)=O 773334559 RMWIFXMQTUNEFT-UHFFFAOYSA-N 443.528 1.154 30 10 IDEE C#CCN(C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 774037478 IEVVCGRRJZGCQG-INIZCTEOSA-N 439.559 1.515 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCS(C)(=O)=O)c1=O 777946702 KFLAYYGDIBUYAJ-UHFFFAOYSA-N 448.541 1.274 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1C#N 787851835 NYAVJNDEHWWZOA-UHFFFAOYSA-N 435.528 1.512 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O)c1cc[nH]n1 789979425 GUYFNZHWJAEREY-MRXNPFEDSA-N 431.424 1.097 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3cccc(COC)c3)cc2C1=O 799653136 OGYPPTRQSJRJLU-UHFFFAOYSA-N 428.466 1.875 30 10 IDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 916809124 AKFFLLXOGSTFOW-QGZVFWFLSA-N 429.473 1.984 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cc1 1084178973 DZZNYUDVCNSVHD-UHFFFAOYSA-N 429.481 1.994 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C1CCOCC1 1131469749 XWTSQQAAZXCQGC-HOTGVXAUSA-N 438.502 1.154 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](CNC(=O)OC(C)(C)C)CC[C@@H](C)[C@H]2C)C1=O 1131802943 DQPGUAIWBFUWSL-KFWWJZLASA-N 436.509 1.504 30 10 IDEE C[C@@H](CC(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1138619519 QDFOHGLHAOZFFF-OKZBNKHCSA-N 447.605 1.179 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(N2CCNC2=O)cc1)c1cc[nH]n1 1142884291 FUHOCANZNDIHHE-CYBMUJFWSA-N 428.449 1.101 30 10 IDEE C=CCOc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1OC 1161587339 OZUOOJVCVQGPEC-HNNXBMFYSA-N 425.503 1.841 30 10 IDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1-c1ccc(F)c(Cl)c1 1166524251 JWDPKXVCEVKZAN-UHFFFAOYSA-N 444.850 1.957 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 1180244552 OPSYCIBPRAJFAW-RISCZKNCSA-N 426.267 1.265 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H]3CC(c4ccc(Cl)cc4Cl)=NO3)C2)c(=O)nc1O 1180989838 MVOBAWHMJMLYCR-OAHLLOKOSA-N 434.239 1.704 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1253778975 HESFQKVWJWDWSA-JKSUJKDBSA-N 431.555 1.138 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1286341867 JJZZSDLYVBJMPI-HKUYNNGSSA-N 431.562 1.750 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1286352845 OKVGEVYCPYPCRZ-DLBZAZTESA-N 446.552 1.667 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CS(C)(=O)=O)CC1 1286365680 GOVCPKNWWDOZHI-UHFFFAOYSA-N 436.559 1.243 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286390104 XEKXCMKFJANJNK-HKUYNNGSSA-N 435.594 1.141 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1286397565 SQZQEXBLRSRPQE-SFHVURJKSA-N 432.546 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1286817434 SOBMQIPPQNLDDD-UHFFFAOYSA-N 431.497 1.605 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1289087308 UIYXCGPSRJKEKV-SFHVURJKSA-N 435.488 1.714 30 10 IDEE C#C[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1298584001 GQPAEMLTTFUJDV-YGRLFVJLSA-N 425.359 1.504 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1299367591 CFXSICQCXJEDPF-INIZCTEOSA-N 443.529 1.641 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1300041281 BZUGJSOESHZQIM-LJQANCHMSA-N 436.513 1.723 30 10 IDEE CC(C)c1n[nH]c(CC2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 1300200912 OEAUAEOECGDEOH-OAHLLOKOSA-N 444.561 1.948 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1300464315 ATOZURWNMYCIAY-CVEARBPZSA-N 439.582 1.895 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1300465355 LYGPMLKRZQMWIH-HNNXBMFYSA-N 441.554 1.091 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300482801 HFBVMLACWUYQDU-OALUTQOASA-N 436.626 1.054 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@@]2(C)COCCO2)n1 1300681416 ORMGPLPVPSOESY-QFIPXVFZSA-N 439.520 1.561 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1300805522 GJKOJYDHWXBCKC-WIYYLYMNSA-N 433.578 1.431 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1301425190 UHYTZZRIAQAZEZ-OAHLLOKOSA-N 449.524 1.295 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)C1 1301535030 HFBATZSARNXJBX-HZPDHXFCSA-N 439.520 1.621 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCOC2)C1 1301566588 REAHFNFWRHRRSF-MGPUTAFESA-N 433.534 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1301588079 UXLQDISLHBILAA-UHFFFAOYSA-N 431.518 1.174 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301588789 JLGSREIPJAYXCU-IEBWSBKVSA-N 448.593 1.923 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1301608200 XLMOPLQCMKULEV-QFIPXVFZSA-N 425.537 1.487 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1301670944 CUOFCLKOOAONNV-AVRDEDQJSA-N 427.553 1.903 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnc(C)s1 1302096269 YQEXBMYLJAUSHQ-PBHICJAKSA-N 431.566 1.992 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(S(C)(=O)=O)CC1 1302948468 CSHVYSIXCAYTNY-UHFFFAOYSA-N 443.577 1.647 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(C(C)(C)O)c1 1303805232 YEZBMYZUWRVWIG-HUUCEWRRSA-N 434.566 1.902 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1304236615 KAZZYTUOHVJNCE-HOCLYGCPSA-N 433.582 1.907 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCO[C@H]1CCOC1 1306193969 IGADPDCGOREEBU-KRWDZBQOSA-N 428.541 1.276 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cccs1 1316209599 LFNAVMGOMCQKRI-CABCVRRESA-N 434.522 1.222 30 10 IDEE C[S@@](=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316365272 FIPXLUIUEBNPQN-CQGGRAHPSA-N 436.538 1.623 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 1335692573 IZOXHVKJZAFGQE-VHKYSDTDSA-N 430.505 1.926 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCC2)c1 1358902774 YWCHJRNDKDISEE-LJQANCHMSA-N 449.559 1.770 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358965017 MGUMMSWPCADYLI-YLJYHZDGSA-N 436.603 1.964 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1358970649 UMBIOOOIAWUQRM-XMMPIXPASA-N 435.528 1.662 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1358979673 UBYLKLKFDCDZMQ-HXUWFJFHSA-N 441.557 1.317 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@@H]1C 1358997118 FNFRWOWRFYCBRU-IIBYNOLFSA-N 427.530 1.272 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1359026174 NMGRWXLQEFMCPP-UHFFFAOYSA-N 431.562 1.707 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359221569 GWIWPBGOXYCQQB-FQEVSTJZSA-N 437.566 1.122 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359455802 BSWRLIOUQNFJCY-FQEVSTJZSA-N 435.532 1.934 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1=O 1360018588 SJBMSFVITSRBBK-UHFFFAOYSA-N 426.521 1.520 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1C(=O)CNC1=O 1443763117 SPPVYXUTBFGJND-QGZVFWFLSA-N 427.461 1.061 30 10 IDEE CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1445894034 RBEQEYOFXWYKJB-OAHLLOKOSA-N 447.488 1.805 30 10 IDEE CCOC(=O)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](O)c1ccncc1 1454448077 VTVLDQOMBHBXPA-WOJBJXKFSA-N 445.516 1.813 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCN(CC#N)CC1 1465277133 RLXJTLMXKUAPJG-HXOBKFHXSA-N 448.523 1.942 30 10 IDEE Cc1nc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)n[nH]1 1469706031 NODFHXOMDHSPSB-ZGOJQLDESA-N 429.525 1.549 30 10 IDEE C[C@@H](NC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 1469755564 CHLYZQNVRFIVEI-FOIQADDNSA-N 425.514 1.830 30 10 IDEE C=C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1 1470410316 FMHHXDARWPAPSG-CQSZACIVSA-N 436.486 1.790 30 10 IDEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@]1(O)CCCOC1 1470421516 GUXYXMYJJZRXQZ-JOCHJYFZSA-N 449.573 1.643 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)c1C#N 1470729371 JUNCCXGBVSFECF-UHFFFAOYSA-N 425.458 1.132 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(OCCO)CCC(C(F)F)CC2)cc1 1472156850 OQIUYAIURGQZDN-UHFFFAOYSA-N 444.500 1.531 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nn(CC)cc2C(=O)OCC)s1 1472288055 ZSNYSNAJEQFCJN-UHFFFAOYSA-N 426.520 1.787 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1 1473241169 UJUVXFJWGQQCGL-QGZVFWFLSA-N 425.455 1.348 30 10 IDEE C#CC1(NC(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)CCCC1 1478306025 NNLPKJVDKPETAL-UHFFFAOYSA-N 443.547 1.036 30 10 IDEE COCCO[C@H]1C[C@H](CO)CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478900602 CFNKZSDBZXLLMV-UNMCSNQZSA-N 430.549 1.578 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1499878777 JNLABWNBGYNFML-RBUKOAKNSA-N 435.532 1.980 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1503412375 JZJCHIRYULYRTR-QZTJIDSGSA-N 431.518 1.246 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1507607386 TWINJCOQROHNFQ-UHFFFAOYSA-N 430.559 1.265 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 1507617473 UQERMHAGSYQMPT-KFWWJZLASA-N 449.499 1.974 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1507641777 CXDFCPNSPWFDAD-HNNXBMFYSA-N 425.518 1.080 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC[C@@H]2CC)CC1 1507725909 CUXUPXMSMDAJDA-FQEVSTJZSA-N 427.597 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H]2COCCO2)CC1 1507739948 LXQCOQZLVJQFNK-HXUWFJFHSA-N 438.532 1.035 30 10 IDEE C=C(Br)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507790700 BXQKQQVWBYVZIH-RHSMWYFYSA-N 426.315 1.956 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507917203 ZCPMTQKUEUHYFF-HZPDHXFCSA-N 444.623 1.796 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1508006618 SWKIGOCKYCUNIT-AWEZNQCLSA-N 435.579 1.924 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1 1508014689 CVXWJNMWABCKBE-UHFFFAOYSA-N 427.505 2.000 30 10 IDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1518547862 DUUPJWNNWQGBGH-GOSISDBHSA-N 438.513 1.892 30 10 IDEE COC(=O)c1cccn(CC(=O)Oc2ccc(C#N)cc2I)c1=O 1519813284 XPNMHBSHTQVPMX-UHFFFAOYSA-N 438.177 1.717 30 10 IDEE CSCC[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1520312995 DPQOHHBINNRPJN-DXNFXHBHSA-N 434.566 1.886 30 10 IDEE N#C[C@]1(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CCCOC1 1523927242 JMYDVRDKNJXKML-OAQYLSRUSA-N 427.892 1.855 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CCC2)CC1 1539459557 JRHFBZYMWUDNMH-PMERELPUSA-N 429.594 1.196 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1539480525 BAFNXYDDTSZWGB-SFHVURJKSA-N 441.507 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539490480 WFPWWLSWMLPPBP-FQEVSTJZSA-N 446.596 1.137 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539517189 JRRVHQXWLFAXBR-CRAIPNDOSA-N 427.530 1.824 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2C)nc1 1540047059 DQILYYGMFOKKRG-AWEZNQCLSA-N 430.538 1.448 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1540868020 PECYJPXPVSPYBD-RDJZCZTQSA-N 441.536 1.992 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1ccccc1 1540871940 YCEHMYRHGZKMJE-RBUKOAKNSA-N 443.573 1.694 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1540875871 AGJZFNMAHRUTED-HSZRJFAPSA-N 440.548 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](OC)C1 1540904675 OMVCQFBNXMTCPE-KRWDZBQOSA-N 430.534 1.343 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1547600352 ULEASRWAFSVFTF-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)CCn2ccnc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367832 QKEQYCOCCINHMX-KRWDZBQOSA-N 434.422 1.627 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1(C)C 1555173386 SQKLJVIUNPLNCL-SFHVURJKSA-N 438.532 1.960 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1556603926 RXAAVFODDMBGFV-SFHVURJKSA-N 434.504 1.305 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1583812506 YUVAWMADVZLMRW-ROUUACIJSA-N 428.876 1.377 30 10 IDEE C#C[C@@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1584771578 YYBHMWJBYXDHOF-QGZVFWFLSA-N 444.557 1.541 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)s1 1585781042 XPDSYCYIQHGITD-LBPRGKRZSA-N 439.481 1.377 30 10 IDEE C#CCCN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1586802155 CZLINVKLABNSJK-UNMCSNQZSA-N 447.601 1.538 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1cccs1 1587932210 MSAACACRKYPMQH-UHFFFAOYSA-N 443.554 1.910 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1588006812 QOGIDDQORVNGJA-HXUWFJFHSA-N 435.576 1.681 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588053245 BOFLNPPIQQGTNT-HZPDHXFCSA-N 435.575 1.498 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC=CO2)CC1 1588885813 ZKPJQUWPYIQFIY-LJQANCHMSA-N 442.564 1.855 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C/C=C\c2ccccc2)CC1 1588923752 LGDXAQZGBYLYDK-QKWWCAPFSA-N 432.528 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)cc2F)CC1 1588924239 YABZNCJYEIZBFF-UHFFFAOYSA-N 449.490 1.897 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1593747087 QREOEUKPGJDZLT-IBGZPJMESA-N 432.569 1.119 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1594680803 VPEZCDMMEDLBIX-HNNXBMFYSA-N 427.571 1.976 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1594813478 UDLITBKRUQHSBO-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 1595050391 GEXJPMGKALXOGX-QAPCUYQASA-N 426.496 1.867 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595544017 FCCLXXCREVPRJK-RDJZCZTQSA-N 444.540 1.049 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1595721298 DDFGHVWFSJQAOP-XUVXKRRUSA-N 446.596 1.506 30 10 IDEE C=CCC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1596593409 OUMLADUFJLVLAV-IKGGRYGDSA-N 442.578 1.586 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1612877800 FZALRQGDZKUDPA-AWEZNQCLSA-N 430.472 1.026 30 10 IDEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2[C@@H](CCN2Cc2ccc(C(F)(F)F)cc2)N1C 1616139497 XSWAIOAWCGLRKR-QWFCFKBJSA-N 436.478 1.608 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc21 1617487560 OQCKDZGJGAXHCS-KKSFZXQISA-N 431.514 1.995 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1OC 1627173502 AAMNYQOFMRRORH-KRWDZBQOSA-N 447.513 1.989 30 10 IDEE C#CCCN1CCN(CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)CC1 1645178165 LENSVIKYCQMYKF-UHFFFAOYSA-N 435.546 1.989 30 10 IDEE N#Cc1ccccc1NC1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1647901656 YOUYZHIAXZWJDE-UHFFFAOYSA-N 441.557 1.441 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1649584739 QRQMUEHGLAOAOL-PKOBYXMFSA-N 438.532 1.995 30 10 IDEE CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1654702199 DOKQFUKUFPJIKE-INIZCTEOSA-N 441.351 1.248 30 10 IDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCCc2ccc(C#N)cc2)s1 1663088754 DPGLVVWFGVFBEX-UHFFFAOYSA-N 427.573 1.623 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)OC 1665500670 ATWJPZZNSJEZOZ-ZDUSSCGKSA-N 444.453 1.313 30 10 IDEE N#CC1(CNC(=O)N[C@H](CO)c2ccccc2I)CCOCC1 1687830379 XPJXGCZZIGKEAA-CQSZACIVSA-N 429.258 1.944 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NC(C)C 1689861450 VMFGZUBBPVWYLD-FQEVSTJZSA-N 437.592 1.625 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986371 OGPVFILIXBYUQD-IEBWSBKVSA-N 430.578 1.251 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC(C)CC2)CC1 1690113321 GOKRFCLWKPDTFP-XMMPIXPASA-N 444.624 1.806 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCSC2)CC1 1690137855 KLZAULWINHQEIS-IAGOWNOFSA-N 435.594 1.721 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnn(C)n1 1690567547 HNHSWBCWPSZIBO-UHFFFAOYSA-N 448.466 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690665776 PFXWSGZMYJQCDF-OAHLLOKOSA-N 431.928 1.600 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1690669616 KDBKZWDSNAUZPH-UHFFFAOYSA-N 431.585 1.228 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnnn2C)C1 1690689340 BXICMXJBFAONBJ-KRWDZBQOSA-N 443.533 1.307 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1691108728 BXGOMLJGFWKGSE-OAHLLOKOSA-N 429.525 1.559 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1697780955 DHKUGMAIUTVRNJ-QZTJIDSGSA-N 429.500 1.750 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705650083 LGSHRTLGFIVYDS-NRFANRHFSA-N 442.608 1.553 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCOCC2)CC1 1705763236 QVLTTWZMWRONKJ-IRXDYDNUSA-N 426.587 1.013 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1705881581 UGVVIFLVSPUZPX-HSZRJFAPSA-N 442.564 1.853 30 10 IDEE CC(=O)N1CCN(CCn2c([C@@H]3CCCCO3)nnc2N(CCC#N)CC2CC2)CC1 1706004790 DBBRWVDUEDKKJF-FQEVSTJZSA-N 429.569 1.814 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1706749494 WKJYBHMNMMSPAG-ZIAGYGMSSA-N 434.522 1.569 30 10 IDEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1708603050 XINFSHZUGQMXSD-PWIZWCRZSA-N 440.548 1.907 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(COC)c2)CCOC1 1710482504 GHEOWISYNFYSFY-SIKLNZKXSA-N 427.505 1.854 30 10 IDEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710900049 CUFXCKBKQZSMGP-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cs1 1712226928 GWZJCNJEWXTIKW-UHFFFAOYSA-N 439.501 1.316 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722329463 JRXBVWWDPGTLIE-UHFFFAOYSA-N 449.515 1.962 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367959 NSDHJLKXTOBYMP-MSOLQXFVSA-N 436.578 1.616 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1722411770 PJROKMWOLVHOME-RBUKOAKNSA-N 425.537 1.452 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)OC)c2)CC1 1722429742 RAYLMQPUQFDXGO-UHFFFAOYSA-N 439.520 1.398 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1722467039 KVBWNYVCVPMSKB-IWMITWMQSA-N 449.577 1.998 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(N)=O)C1 1722492477 BHFAVNLAYBLRRW-BQFCYCMXSA-N 432.569 1.879 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1722700199 ZYHMIDQKHKLGFI-UHFFFAOYSA-N 436.564 1.749 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722701874 GXTQFDIMHCKBRL-QGZVFWFLSA-N 426.521 1.525 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1722783816 KRINFAAXBCSSAP-UMIVRTMYSA-N 449.515 1.529 30 10 IDEE CN(C)C(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1729308604 SFDLDMLHPIUYGN-ZSDSOXJFSA-N 449.531 1.969 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1729409351 FTPXXHBUDSOTMW-YLJYHZDGSA-N 431.518 1.187 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)C1CC1 1729566858 LMYVVYCLPSULKI-KDOFPFPSSA-N 435.326 1.936 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@H]1CO 1740548128 DFARHJUAOUWIPZ-SJORKVTESA-N 428.537 1.701 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCNS(C)(=O)=O 1740676780 MIFTWTJQSDRMOV-KRWDZBQOSA-N 435.525 1.500 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C)n2)CC1 1740704195 JVNVEKPFOBDYGL-UHFFFAOYSA-N 430.516 1.647 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)C(C)C)CC1 1740965413 IZFJDAIJBRIKCI-LPHOPBHVSA-N 448.568 1.045 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740969200 VIKFGEZXFBSPGL-KRWDZBQOSA-N 447.561 1.653 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1741131648 VBVZRUFUFRCOPB-YJBOKZPZSA-N 441.511 1.849 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1746408007 DUIQICOWQAYIKD-MOPGFXCFSA-N 428.562 1.924 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@@H]1C 1748345349 OWHIRZGZMAEOAY-KSFYIVLOSA-N 440.504 1.899 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1748810207 TVLQYOFRWFNYFH-GOSISDBHSA-N 427.530 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1748842211 HGVSXTWRKNUHKW-UHFFFAOYSA-N 440.511 1.838 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)C 1748920911 UNIWLMRPTBQAMO-UHFFFAOYSA-N 431.566 1.612 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748931082 KTUVUNDPFZXTKK-AZUAARDMSA-N 442.589 1.928 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccnc2OC)CC1 1748979068 UOXYCSJPAIWAEM-HSZRJFAPSA-N 440.548 1.526 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)O)CC1 1749003929 ZHXCPZFLHAGRCQ-QFIPXVFZSA-N 433.553 1.055 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1 1749059675 BHVZEWGPXYSJLE-HSZRJFAPSA-N 439.516 1.813 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749210241 FCZRRUKTFZUZQM-QGZVFWFLSA-N 434.541 1.822 30 10 IDEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1749463074 KNHVFOPMVYCPEQ-UHFFFAOYSA-N 437.460 1.190 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749677516 BNOPNAYGQSYHET-KRWDZBQOSA-N 447.561 1.399 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1749677681 HSQJXSHXCMQGJN-ZWKOTPCHSA-N 444.580 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749734220 GJMHOMQHXVYXSL-SFHVURJKSA-N 439.626 1.626 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1751171718 FUBZVOGWIUHZDE-SUMNFNSASA-N 435.575 1.597 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187580 KGYYUMZMASULEI-MOPGFXCFSA-N 435.594 1.632 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760191685 LRJKLLCCOSYQOL-GCJKJVERSA-N 446.573 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1760204399 OOWXHFZJBRTAGL-IBGZPJMESA-N 426.542 1.918 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC[C@H](C)C2)CC1 1760251885 KROCMWZGBWLXLP-IBGZPJMESA-N 429.613 1.684 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCCN2CCOCC2)CC1 1760263148 PKTOKZRMJHTSEJ-UHFFFAOYSA-N 443.621 1.501 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 1760275534 ZMFNMGOJUMTGKX-OAHLLOKOSA-N 429.612 1.649 30 10 IDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC)CC1 1760424037 UGDHRRLNAOPYOP-UHFFFAOYSA-N 436.524 1.739 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760446682 ZRIMTBPQHVCLMD-MRXNPFEDSA-N 447.561 1.608 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1760503672 MVCQTMACYICMES-SFHVURJKSA-N 441.536 1.148 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760518123 JLJFELHCBUEKQF-UHFFFAOYSA-N 439.907 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@@H](C(C)C)C1 1760549009 UVCJNBQFTVLPLC-MRXNPFEDSA-N 441.623 1.693 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1760688852 PFFAHFVADMTTMW-UWVAXJGDSA-N 439.582 1.882 30 10 IDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)COCCO1 1761577192 MFIAUUJKUZSGEB-YADHBBJMSA-N 440.504 1.236 30 10 IDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1763267678 NHGQPUCRMXVVFB-QRWLVFNGSA-N 433.534 1.228 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCO1 1770009027 LJLKMIGSJQYQCX-YOEHRIQHSA-N 428.493 1.716 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1771189059 SMTLNOCUXVEJSD-FOIQADDNSA-N 432.504 1.810 30 10 IDEE CS[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771390485 PQMNXHYNYNLREJ-STQMWFEESA-N 448.574 1.467 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCOCC1 1772564729 YQBOXJITMUCRBU-HNNXBMFYSA-N 445.611 1.145 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)COCCN2CCN(c3ncccc3C#N)CC2)cc1 1852053560 KRLDPNLICCEGFR-UHFFFAOYSA-N 428.514 1.378 30 10 IDEE CN(C)S(=O)(=O)CCCNC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 1852940157 PYKQSUBYUMYRDP-UHFFFAOYSA-N 447.536 1.860 30 10 IDEE CN(C)C1CC(CN(Cc2cn(Cc3ccccc3)nn2)C(=O)c2cnc(C#N)nc2)C1 1853422933 ZHLYYDXDJPDHFN-UHFFFAOYSA-N 430.516 1.971 30 10 IDEE NC(=NOCCC(=O)N1CCN(Cc2nncn2C2CCCCC2)CC1)c1ccncc1 1853559658 VZPNTBPPPWXPBF-UHFFFAOYSA-N 440.552 1.550 30 10 IDEE CC(C)N1CCN(C(=O)[C@H]2CCCN2C(=O)CCON=C(N)c2ccc(Cl)cc2)CC1 1853603210 COQLFYQVACCWTC-LJQANCHMSA-N 449.983 1.911 30 10 IDEE N#Cc1ccc(OCCN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCS4)C(=O)C3)C2)cc1 1856728804 PVYZEDKUXJWRFS-QUCCMNQESA-N 428.558 1.578 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988626784 JJCMHYIGLMBPQA-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CC1(C)OC[C@H]([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2c2nncs2)O1 2033813522 COECPOWSWYJGOQ-TZMCWYRMSA-N 431.426 1.829 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCc1ccc(C#CCO)s1 2145937097 HSQXYFQEAGCCNX-UHFFFAOYSA-N 446.550 1.978 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403831 GVPQWSDYIOVZQH-LBPRGKRZSA-N 438.359 1.987 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404759 MTRSPEKEDZABTB-VIFPVBQESA-N 448.301 1.746 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413446 WYFVKUUXCASYKO-BXUZGUMPSA-N 441.359 1.333 30 10 IDEE Cn1cc(C(=O)N[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255623114 JIKKSBNTHOJOJL-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628174 DXFXQMMLGXCTTI-GHMZBOCLSA-N 430.236 1.381 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N(OCc3ccccc3)C3CNC3)c2)OC1(C)C 2255753648 UVVURNRPQLCJLB-UHFFFAOYSA-N 445.350 1.475 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2255828979 HZEFZAQRVNQIKZ-ZFWWWQNUSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255876624 DWGOUCUHVVIPLT-HZPDHXFCSA-N 433.314 1.403 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256668724 FIJDKZANZLPVIJ-GFCCVEGCSA-N 439.293 1.592 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267136332 JJTBDGBYKYOIMY-BJKJVOPESA-N 448.329 1.119 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)n1 2267492331 AFTTZKVXNTWXBF-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE CC#CCN(CC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1)C(=O)OC(C)(C)C 2300539942 SMAOIWXUKLYQFQ-IAGOWNOFSA-N 439.553 1.981 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2337295817 DOUMWFNVSYVHLQ-SOUVJXGZSA-N 446.357 1.705 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1C 2337325084 CFXCSIUKTNCKJX-PEBXRYMYSA-N 446.357 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](CC(N)=O)C1 2343298909 AYSBFOCXTPYAGS-MRXNPFEDSA-N 446.357 1.682 30 10 IDEE C=CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CC(=O)NC[C@@H]1CCCO1)C2=O 35969050 RHSQUEVFPIWSQL-OXJNMPFZSA-N 428.464 1.470 30 10 IDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1F 102741920 UGBONJWOVWSRGF-LCPUNJGISA-N 441.459 1.983 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)CC1 105311277 CYEHXDGSVCZCSQ-UHFFFAOYSA-N 427.501 1.489 30 10 IDEE C=CCN1C(=O)c2ccc(-c3nc(CCN4C(=O)NC5(CCCC5)C4=O)no3)cc2C1=O 445448890 VNQKSCCLEFZSEF-UHFFFAOYSA-N 435.440 1.926 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 482157848 NTXLKFJMOFCVMP-AUUYWEPGSA-N 444.488 1.628 30 10 IDEE COc1ccc(F)cc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 488560410 KFIZDRKWIFFPRQ-UHFFFAOYSA-N 432.477 1.922 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 502523268 XIPRSSMOWSXACT-HXUWFJFHSA-N 439.509 1.920 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 502679637 MDVLTBDMOMTVBW-ABHNRTSZSA-N 435.550 1.709 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)CC1 508817005 IDPCKCWEVCMWJE-UHFFFAOYSA-N 437.544 1.603 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 508921259 LDKHZVNHEDJJNS-QFBILLFUSA-N 431.562 1.692 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)s1 521297582 NBAWOCQAXJFHKR-AWEZNQCLSA-N 429.567 1.494 30 10 IDEE COc1cc(OC)c(CNC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 545504050 RYODOHBMRBOHCD-UHFFFAOYSA-N 425.489 1.417 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 552373938 WLMNTRVUNCHACZ-INIZCTEOSA-N 427.548 1.308 30 10 IDEE CSc1nc(O)c(C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1C#N 557111730 VPCPREDVRATBNR-UHFFFAOYSA-N 432.527 1.830 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 559008322 FTZRIRBNDWZLSE-SJORKVTESA-N 427.571 1.438 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1C[C@@H]1CCCO1 580930226 NMLJFIANRHBUGZ-LBPRGKRZSA-N 444.513 1.087 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCOC)Cc1ccnn1C 583291433 OMIHXOULQHMCGR-UHFFFAOYSA-N 430.534 1.921 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 669804641 OHZGESKSISVYKF-CVEARBPZSA-N 449.581 1.756 30 10 IDEE Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(=O)N(C)C)c1=O 680970601 OAHNNYFSTHBSCD-UHFFFAOYSA-N 443.956 1.832 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(CC)c1 730137697 HJHCPXZQQRGESB-QAPCUYQASA-N 447.605 1.773 30 10 IDEE C[C@H](c1ccccc1)N1CCN(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 741341493 QOGWGNTXMKMPOO-DUPNKOKHSA-N 440.500 1.352 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 743107654 ACKCDPMEJSWRDB-SSLBDODZSA-N 433.534 1.630 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CCCCC1 760405100 KFNPMISTIDWCBV-IJEWVQPXSA-N 428.580 1.632 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 766978374 AASWYMLMOOPFRT-UHFFFAOYSA-N 428.875 1.742 30 10 IDEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)s1 772903963 GZRKOHWLMQFEGW-UHFFFAOYSA-N 435.534 1.680 30 10 IDEE Cc1cc(N2CCN(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 780209013 GYNMSVHAZSTNLM-OAQYLSRUSA-N 437.500 1.706 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(SC)CC2)cn1 788411158 XLZBHCSBUKGQLK-OAHLLOKOSA-N 438.623 1.798 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCC1CS(=O)(=O)C1 790630975 XTWVWWAPFBTIDU-HNNXBMFYSA-N 428.532 1.118 30 10 IDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 792785477 RSLPTVLPGWJIOV-OJLWIZQOSA-N 439.493 1.824 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 797412712 WPIHHUVHXPOFKW-UHFFFAOYSA-N 444.516 1.610 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 799971247 YUJJOHYPOPRXGX-KRWDZBQOSA-N 438.550 1.986 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CCC2)[C@H](F)C1 819531803 JRPULTQUCUFFCG-SQNIBIBYSA-N 436.553 1.785 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837695043 FARYZMBOBSIPFJ-UHFFFAOYSA-N 436.541 1.174 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCCN3CCCCCC3=O)cc2C1=O 918812688 UYHHSJBUGJOTOF-UHFFFAOYSA-N 441.484 1.534 30 10 IDEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C1CCOCC1 1148195554 XFQROQBGYXTKIM-RBUKOAKNSA-N 436.530 1.261 30 10 IDEE Cc1cc(C)nc(C2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)n1 1151412153 UBXYZJUXEJUVDG-UHFFFAOYSA-N 439.541 1.992 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1152566085 UNBUUTPCHJTLKQ-QZTJIDSGSA-N 433.530 1.566 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 1194098664 XQPWCOCEQSZWJF-UHFFFAOYSA-N 445.872 1.133 30 10 IDEE Cc1sc(NC(=O)CN2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)c(C#N)c1C 1197497130 OBSRQBDOFZGATH-UHFFFAOYSA-N 433.534 1.596 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 1253386266 KJDCERAVAAEWHA-UHFFFAOYSA-N 437.481 1.802 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nccs1 1286297592 XDNXIKMDSGDRCS-SOUVJXGZSA-N 438.579 1.329 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286340367 YXDRHYMTZMTATD-LJQANCHMSA-N 447.561 1.894 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286406852 JYHYOQVXAZEJAH-QGZVFWFLSA-N 435.454 1.405 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286505845 BPTSDHBEXZBZEX-QGZVFWFLSA-N 441.623 1.746 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286599640 XVUBZXYIKKOOMJ-CALCHBBNSA-N 448.568 1.920 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286609630 OXPKRFLVDLGIJY-SFHVURJKSA-N 439.520 1.329 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CCC[C@@H]2C)CC1 1286646221 NPKPCCLQDBAMCE-ZWKOTPCHSA-N 438.598 1.252 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 1286687973 OGHAHWKALYPGET-ROUUACIJSA-N 441.598 1.973 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1286716753 LJKUMHQJFWINHU-QFIPXVFZSA-N 428.537 1.832 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1COCCO1 1286741380 LNZXCLOASRTYIZ-FQEVSTJZSA-N 436.516 1.880 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286792815 JAJVTQQYPGTUED-MSOLQXFVSA-N 440.548 1.841 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CCO1 1286941041 KDOHRNCIPDGKFR-IBGZPJMESA-N 444.561 1.274 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)N(C)C 1288673104 KBCPOMGQIINUJW-XKGZKEIXSA-N 437.548 1.736 30 10 IDEE Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1290450944 VGJMDGHUQKXLSW-QGZVFWFLSA-N 441.381 1.719 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1296971561 BGSMGPQNPGQRDO-HXUWFJFHSA-N 436.520 1.996 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1COCCO1 1298802719 QNIDBWOEKNADCT-CXAGYDPISA-N 439.289 1.903 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1299226499 NZWBEIAPYPPZMC-NRFANRHFSA-N 428.493 1.107 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1300402754 BSVHZKZDDVRPKS-OAHLLOKOSA-N 427.534 1.937 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC 1300579352 UBMGCSYRZWWMRL-UHFFFAOYSA-N 448.575 1.687 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NCC(F)F)CC1 1300708518 STZPHYALMCJNSJ-UHFFFAOYSA-N 432.475 1.302 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCn2cc(Br)cn2)CC1 1300710814 MCARKWSPEJJRAZ-MRXNPFEDSA-N 434.342 1.544 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1301524993 FKARUFGAOMRBQQ-HKUYNNGSSA-N 427.505 1.346 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCC1 1301799281 BSFPQSVLQNCJQY-UHFFFAOYSA-N 431.541 1.283 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1302030020 QPFHMHKBBXHOFS-IFXJQAMLSA-N 436.513 1.936 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1302195136 LXOKLIMIWSUFBU-GWJPWWOOSA-N 441.532 1.846 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1302948868 VGISDQVCIOFYRS-RBUKOAKNSA-N 425.537 1.610 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1303066417 FGTISHUNXBWGRU-FGTMMUONSA-N 439.582 1.486 30 10 IDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1307936233 BMBAMECEWAUHFA-RDJZCZTQSA-N 440.418 1.600 30 10 IDEE C#CC1(O)CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 1307962561 STHIWLXWLNNICB-UHFFFAOYSA-N 431.558 1.210 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)cc1 1308117269 QNPKSLNYKHBOBJ-UHFFFAOYSA-N 435.546 1.993 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 1309162969 DEMTYYBGVOVPGR-UHFFFAOYSA-N 428.514 1.190 30 10 IDEE C[C@@H](CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)N1CCN(C)CC1 1313427848 NFWXOUFRWAVXRK-INIZCTEOSA-N 442.543 1.333 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)COC 1316183392 DXXQVAYRZDYKLK-CABCVRRESA-N 430.509 1.820 30 10 IDEE C=CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1352277806 RSOOYKBGGWKDSY-UHFFFAOYSA-N 427.910 1.716 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1354204045 CMTVNYOWARXMIT-UHFFFAOYSA-N 441.557 1.381 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1358915292 YSPUOUNNGGLYRU-LJQANCHMSA-N 435.576 1.857 30 10 IDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358959822 QMJREJCTYGGAQX-KRWDZBQOSA-N 439.541 1.891 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CC1(N2CCOCC2)CC(OCC)C1 1358975621 YONGGKSNFUZRBN-UHFFFAOYSA-N 434.544 1.683 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1359048844 CFLIETVMSZPTSS-OAHLLOKOSA-N 433.603 1.858 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1359100644 DUFPPOOWDZBXSR-UYAOXDASSA-N 425.537 1.707 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC 1359279255 YSSHZKALZFJMMF-UHFFFAOYSA-N 425.331 1.821 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H]1CCSC1 1359300779 KEIASUGVIDOJPK-QGZVFWFLSA-N 442.593 1.696 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)C1 1359313634 PFYQLWQIQKTXMR-HOCLYGCPSA-N 437.570 1.068 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC(c2ccccc2)C1 1360713432 HQLLJLOTZXLAOA-GSHBMFQSSA-N 444.561 1.811 30 10 IDEE C[C@](O)(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1360723475 AJGHICYFDABPKG-CZAAIQMYSA-N 447.536 1.920 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1436929296 LNTDAOJWEXVCGY-YOEHRIQHSA-N 440.518 1.046 30 10 IDEE N#Cc1cn(CCNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c(=O)nc1O 1453822298 AKUDFAIYTMBEHI-UHFFFAOYSA-N 445.888 1.868 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1463855979 XOIQJBUSCGYDIS-MRXNPFEDSA-N 428.532 1.013 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1464956606 YGVKJCUHLFMYTN-NVXWUHKLSA-N 439.559 1.419 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1Cc2cccc(C#N)c2C1 1469689904 NNQVESGAPSCNIR-IBGZPJMESA-N 447.538 1.182 30 10 IDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1471226329 HTSBYAKHXIEFED-OAHLLOKOSA-N 446.504 1.319 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)c1cc[nH]n1 1472400713 LNJXRWLDQDSIAH-CHWSQXEVSA-N 435.481 1.017 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CS(C)(=O)=O)C2)n(-c2ccccc2)c1C 1473842224 VQOMTQYEGJBODS-GOSISDBHSA-N 430.530 1.650 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c1 1475578746 MMFULNVTWYOHRX-RTBURBONSA-N 442.541 1.796 30 10 IDEE C#CCC[C@@H](O)CNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1479052381 DDKZBUJQXZZIHJ-LJQANCHMSA-N 442.520 1.866 30 10 IDEE CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505257406 KJKXWIMAAFIKNZ-UHFFFAOYSA-N 427.534 1.802 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC2CCOCC2)C1 1505311648 DATYMEXRGZOIOC-OAQYLSRUSA-N 443.483 1.953 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1507536239 BGPJRDCELTZLRJ-MAUKXSAKSA-N 425.489 1.531 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507623970 ZWARNIZZFILYIS-APWZRJJASA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507630513 ATLGTDNBBCNZRF-SFHVURJKSA-N 443.577 1.094 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507630938 AGMGPIPNWATLIK-ZCNNSNEGSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(N(C)C)CCSC1 1507642415 UGLMDWFLARLLBG-YADHBBJMSA-N 431.606 1.829 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@@]2(OC)CCOC2)CC1 1507731640 ADOQCBXYCXTYJD-DEOSSOPVSA-N 439.560 1.980 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507944279 QOKYGSIQZRMDGN-LPHOPBHVSA-N 426.587 1.156 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508072343 JGIJIZHGNMPOKX-WMLDXEAASA-N 430.465 1.396 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1508080078 JPCCGBVZCVZDIK-UHFFFAOYSA-N 449.515 1.815 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1508090655 OYBJFTXICOGTIH-FXAWDEMLSA-N 443.596 1.227 30 10 IDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1513459019 DLZXAUSYDOFXKE-QLFBSQMISA-N 433.513 1.261 30 10 IDEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1514441653 AYORRCJEUWVEQS-OAQYLSRUSA-N 439.564 1.890 30 10 IDEE C#CCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)[C@H]1CCCc2ccccc21 1538322026 ARRZCNPPJWPKRC-XLIONFOSSA-N 427.526 1.691 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](COC)OC)c1 1539043899 WCAYARFROKSMEZ-AZUAARDMSA-N 441.532 1.890 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCC2(O)CCOCC2)c1 1539046620 WYTQIJAMAWCZKW-UHFFFAOYSA-N 441.532 1.802 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(C)=O 1539259172 AOOATQULKLIKPM-UHFFFAOYSA-N 431.500 1.274 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539337854 NHBUKDMDLIVZDO-SLFFLAALSA-N 439.539 1.939 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC(C)(C)C1 1539378040 QRVNEKDMLGESSW-UHFFFAOYSA-N 430.578 1.840 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2)CC1 1539429651 BXIIINAKGAICJS-MRXNPFEDSA-N 434.541 1.025 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1540833561 RTUJVEKVTOYTGX-MDZDMXLPSA-N 442.541 1.397 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(C#N)C1 1540906889 FWSMLQHGLWJPSF-HXUWFJFHSA-N 431.566 1.871 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](OC)[C@H](OC)C2)C1 1548039371 FCLUJKXYUAMSEA-QLIQKORZSA-N 427.505 1.597 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1548298662 APDPYQMOHVJVQM-CQSZACIVSA-N 428.522 1.253 30 10 IDEE Cn1cnnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 1554351461 BAMKRJRZACAGSG-LBPRGKRZSA-N 447.272 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H](CO)C(=O)OCc2ccccc2)CC1 1556069686 WQGUPUBAIFPKSJ-IBGZPJMESA-N 430.501 1.857 30 10 IDEE CC#CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1557363645 RNQINZFAZKRKOG-QGZVFWFLSA-N 446.573 1.571 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CC(Nc2cccc(C#N)c2)C1 1557721478 OORDCOZBYHFWFX-GOSISDBHSA-N 427.505 1.697 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1585387066 ZOQNVXZCZGZAOU-UGSOOPFHSA-N 433.511 1.011 30 10 IDEE N#Cc1sccc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1586811049 NDEYCMAIXRQMEI-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1587500964 MURSDTJXLKXEGK-ZDUSSCGKSA-N 426.857 1.742 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1587638109 BQOIDARLBMVWSM-UTKZUKDTSA-N 438.532 1.413 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1587888586 HWGAMPHVAUCYNX-UHFFFAOYSA-N 435.525 1.928 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588030219 RDSGCBAVXZLFKP-DOTOQJQBSA-N 442.607 1.243 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1588180127 BLGULYWSDBPZII-PKOBYXMFSA-N 432.594 1.368 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CC)CC1 1588923481 ASLBQWOMEPZFPD-OALUTQOASA-N 441.580 1.069 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1594733560 VCXPZXVMIXGWQW-QFBILLFUSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](C(N)=O)C1 1595516224 BPZWJMCODGJSTJ-CYBMUJFWSA-N 447.337 1.712 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1595529593 ADBMFMLICUEKGC-MRXNPFEDSA-N 435.488 1.704 30 10 IDEE C=CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 1610469185 QXWMCYFQALTVNB-UHFFFAOYSA-N 441.575 1.159 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCN(C)C[C@@H]3c3cnn(C)c3)c2C#N)C1 1618706352 VNANTMLGZBITLJ-SJLPKXTDSA-N 426.546 1.932 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619837150 VLVFRIMDCDZTBK-AZUAARDMSA-N 431.585 1.317 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCS(=O)(=O)N(C)C)c1 1626103835 CTZBNPJIHXDTLW-LVZFUZTISA-N 444.579 1.500 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)Cc3ccc(C#N)nc3)cc2)CC1 1627804611 WUDPUSQWUNPYQV-UHFFFAOYSA-N 435.528 1.398 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1628653533 OCRKXLUYRLIPIV-UHFFFAOYSA-N 426.542 1.896 30 10 IDEE C[C@@H](CC(=O)NCC[C@@H](O)COCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1634573096 DNEBMHNCTSLZRR-FUHWJXTLSA-N 445.541 1.588 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1636810796 YYFFQBWCJCINDF-NZPGVSJUSA-N 448.545 1.882 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1637828130 KJNGDZKGJIDBJG-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1638787537 GDMKIZVLEPRBAR-SJLPKXTDSA-N 428.514 1.937 30 10 IDEE Cc1cc(C)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1I 1641970238 CZLRPBUPTJQEGV-UHFFFAOYSA-N 438.225 1.472 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c1 1642686384 GYOZTSQPXYSZMT-OALUTQOASA-N 442.541 1.796 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1(C)C 1645427904 ZQUCHVYEABWLRI-OAHLLOKOSA-N 436.534 1.487 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@](C)(Cn2cccn2)C(N)=O)n(-c2cccc(F)c2)c1C 1648579736 SXIHRDMBJSNGDH-JOCHJYFZSA-N 437.479 1.774 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OC 1661653235 KXQNIZYBKAVDQR-NSHDSACASA-N 436.280 1.258 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1675724862 IIEJVVJDEYFTOT-ULQDDVLXSA-N 427.567 1.902 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1689852206 CBKWKURRGFAYBT-GJZGRUSLSA-N 425.555 1.505 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCS1(=O)=O 1690095730 ASLFCMIIQHORLQ-SFHVURJKSA-N 447.517 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC1 1690122176 JHBRNBGBFDWATP-INIZCTEOSA-N 432.450 1.644 30 10 IDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1690461357 YMHADKMKVWQHPT-UHFFFAOYSA-N 430.509 1.833 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690673866 HTZWYESHXHPKSY-QFIPXVFZSA-N 427.553 1.799 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690731311 HTFVICMKSDDRSQ-NRFANRHFSA-N 434.610 1.734 30 10 IDEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1694650644 BABZDGVHZLWQIX-UHFFFAOYSA-N 429.546 1.821 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1695495947 APKSKOIKAZPYJD-FQEVSTJZSA-N 448.531 1.705 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)COC(=O)N4)n2CCCCCO)cc1 1698488348 BJFHVVPNGYXFCC-UHFFFAOYSA-N 440.504 1.970 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1705495922 XOCJGVGYNRJCPQ-APWZRJJASA-N 447.561 1.516 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1705509499 JIZWGYOMGALDQP-KRWDZBQOSA-N 429.546 1.854 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1705598571 LTENPBUFBRJNOO-SFHVURJKSA-N 427.530 1.201 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CCCOC2)n1 1705631533 IHFBQVAYUKMSAG-MOPGFXCFSA-N 428.537 1.691 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)[C@H](C)CC)CC1 1705649347 UGTSLPAZMIIGCV-ZHRRBRCNSA-N 427.553 1.442 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(C(=O)OC)CC2)CC1 1705762491 AMWIUMKWQUNHAO-HNNXBMFYSA-N 440.570 1.523 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705889634 OXIWOTYNQRTDCU-UHFFFAOYSA-N 436.538 1.442 30 10 IDEE C=CCOc1ccc(Cn2c(N3CC[C@H](C(N)=O)C3)nnc2[C@]2(OCC)CCOC2)cc1 1705911091 YJIXROZWNGGYDP-MBSDFSHPSA-N 441.532 1.855 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2CCS(=O)(=O)N2CCSCC2)C1 1705915234 JEGMXVKYNVIITR-MRXNPFEDSA-N 429.612 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 1705934842 YRKCXWHMDACMHM-CYBMUJFWSA-N 435.472 1.609 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1709938257 KYFDWJIOWUOFRB-GHTZIAJQSA-N 445.545 1.636 30 10 IDEE CO[C@H](CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1711533305 OQQDENFKIZKAMQ-GOEBONIOSA-N 436.442 1.879 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CCC1 1712685409 FSLQZPFQWRNJOS-MRXNPFEDSA-N 428.518 1.096 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712877420 KSDCLUWFFAIIMU-IQUTYRLHSA-N 434.497 1.251 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCNc2nccc(C(F)(F)F)n2)CCO1 1712883861 BBBAVZWJZYYVDX-AWEZNQCLSA-N 445.409 1.990 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1722343918 QGSIDIWVLLQTTA-BMRADRMJSA-N 444.293 1.632 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722359481 TUMLUAHQFKTNAN-IBGZPJMESA-N 443.573 1.594 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1722367116 KOVIOPLMMDHBPH-JKSUJKDBSA-N 439.607 1.245 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1722446871 ANVSLKOANHRYCP-HBFSDRIKSA-N 440.548 1.176 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCS(=O)CC1 1722729560 OVEWJZDNTFVOQB-UHFFFAOYSA-N 438.575 1.047 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1722736919 NAGQYRKTHFKCAB-UHFFFAOYSA-N 433.582 1.427 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CCOCCCO 1726642409 HSHQCXIYNHNHJR-SFHVURJKSA-N 448.531 1.721 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1NC(=O)CC1(C)C 1730762658 IUQYBMHGBFAVJL-INIZCTEOSA-N 443.508 1.287 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccoc2)CC1=O 1730798816 FXSNBAKJIFHIDY-UHFFFAOYSA-N 436.472 1.665 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1730998181 DVHSXSJEBJARKB-RTBURBONSA-N 445.545 1.636 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740590793 JSRAGEVAZBMORK-HOTGVXAUSA-N 448.549 1.678 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1740619362 NSJKYVJQKOTART-INIZCTEOSA-N 433.534 1.388 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1740639688 YRZKXAHTOMBXOJ-UHFFFAOYSA-N 445.527 1.616 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1740640815 XCDOTRUEQJUCHI-HXUWFJFHSA-N 440.525 1.688 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(CC(C)C)CCO1 1740661221 VKRIKRCJNKNKQA-FKBYEOEOSA-N 443.592 1.822 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnnn1C 1740678019 XUKPLXMFVRWIMN-QFIPXVFZSA-N 439.495 1.886 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCN2CCOC(C)(C)C2)CC1 1740702367 MUINSTFQDPCGTP-GOSISDBHSA-N 430.597 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)C(C)C)CC1 1740706427 XPCDHEKLXDAHKU-LJQANCHMSA-N 444.580 1.300 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740709499 HYJLLLJOFJKNAS-KRWDZBQOSA-N 432.594 1.622 30 10 IDEE C#CCSCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723600 TVRXLRDKAKYFTF-APWZRJJASA-N 442.607 1.308 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740795382 UCNSHFZXNNYDTH-QGZVFWFLSA-N 441.598 1.625 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1740819057 BSLQUJXYALDNSQ-XMSQKQJNSA-N 433.553 1.582 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740857281 JFCIXZZQELCWQY-LJQANCHMSA-N 445.612 1.906 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1740951301 FAMWUICWLILATE-XHSDSOJGSA-N 428.541 1.598 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740952228 YASDDSUGQWOLAH-PMACEKPBSA-N 447.628 1.325 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740962161 UXOCFOHZMSLWSO-GOSISDBHSA-N 425.537 1.309 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCN(C)C2)C1 1740971942 AMTRSBQBPCKQPS-STZQEDGTSA-N 435.569 1.167 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1740975686 DNYKZXOMVGJYJS-RBUKOAKNSA-N 427.553 1.873 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2c[nH]nc2C)C1 1740982568 VDEMQYRNNUHSGT-QZTJIDSGSA-N 434.566 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C1 1740987679 XLPUNISTJLJURS-AWEZNQCLSA-N 439.563 1.009 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740992688 LQXLAFCEBCZARO-MSOLQXFVSA-N 444.561 1.112 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740993130 SYBOUWVDLUCDPQ-UHFFFAOYSA-N 449.581 1.347 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1748732195 VNQNMASVKJHSFA-UHFFFAOYSA-N 428.924 1.977 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748812108 PZPYSBOVFYZHBW-MSOLQXFVSA-N 431.562 1.870 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1748824179 KOXMGLPXKWFVKV-QGZVFWFLSA-N 449.552 1.695 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1748921231 YTAABHYTWKMGEH-OAQYLSRUSA-N 440.529 1.140 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1749066410 JPJLQRVBPAWQNR-NHAYFPRASA-N 439.557 1.741 30 10 IDEE C=C(C)Cn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749208006 XKVIMVULGZZQLC-YADHBBJMSA-N 446.552 1.709 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1)OC 1749326416 DDVMKFFXNLSELU-YYWHXJBOSA-N 440.548 1.635 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1749489375 UHIMXFKOFSKLMX-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1749659257 ZWUVEWMJBCFNON-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1749719071 NDGDQNBCFYJJQS-OFNKIYASSA-N 438.532 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1749738746 WMTYITNEXXPUBL-QGZVFWFLSA-N 447.561 1.167 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750553193 YDPBAYCHKOHZGV-XMMQZVGTSA-N 441.536 1.423 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1750846307 AORLWTOQCVPZPH-WMZHIEFXSA-N 443.596 1.887 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCS1 1752317855 CDOUBQFZYISEDK-KUHUBIRLSA-N 433.559 1.308 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760201846 KHVQMWRVSZIWSV-LJQANCHMSA-N 433.516 1.880 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760206656 HSBISLHWQLPOJG-LJQANCHMSA-N 441.557 1.254 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760566449 UKERPTOOVLBWGX-MRXNPFEDSA-N 443.639 1.952 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1766167694 WXQWSPSCCKGQIE-IBGZPJMESA-N 447.561 1.883 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768788609 ZAUMUMCPSKYOFU-JLUOLNIDSA-N 437.504 1.872 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1769044354 CUUJLZLPCGOGRG-GOSISDBHSA-N 437.479 1.510 30 10 IDEE COCC1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1769458069 DPWULTVRCIJAGN-XUTLUUPISA-N 437.504 1.729 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCOCC1 1770460332 FXVMSYCUVCAOLX-IBGZPJMESA-N 426.521 1.329 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@H]1OC 1770664015 DCDRJIWGXZWRES-HAGHYFMRSA-N 427.505 1.718 30 10 IDEE COCCCN(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1771040102 PMFUZOAHOJGLTD-KRWDZBQOSA-N 428.493 1.371 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 1771368744 HRLSPSBLIJLWRR-GDLZYMKVSA-N 447.586 1.741 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1772842610 YZSWXGDJSWLRBA-CVEARBPZSA-N 429.525 1.448 30 10 IDEE CCOCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1772882730 LZHKDMSWVCAVBI-DENIHFKCSA-N 432.569 1.922 30 10 IDEE N#C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)CCO1 1851199472 BGGRWUQLGHIHIJ-NSHDSACASA-N 425.228 1.035 30 10 IDEE N#CC1CCN(CCNC(=O)Cn2ncn(-c3ccc(Br)cc3)c2=O)CC1 1851255038 KMWRYEBKFZIDSN-UHFFFAOYSA-N 433.310 1.148 30 10 IDEE Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)N1CCN(c2nccc(C#N)n2)CC1 1851800493 KGRGNJYMERWAKL-UHFFFAOYSA-N 431.456 1.482 30 10 IDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)[C@H]1CCN(C)C1=O 1852959911 LUMDUTXEIXRKCI-IRXDYDNUSA-N 427.954 1.888 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CS(=O)(=O)c3ccc(F)cc3)CC2)nc1 1853183943 BLPNOUFZYWEWEP-UHFFFAOYSA-N 432.477 1.231 30 10 IDEE N#Cc1n[nH]c2c1CN(C(=O)c1cc3n(n1)CCN(Cc1ccccc1Cl)C3=O)CC2 1853354125 CWFXAMYAIIEBKK-UHFFFAOYSA-N 435.875 1.986 30 10 IDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)NC2CCN(C(=O)OCC)CC2)n1 1858764129 IVCZZWWTQGBPCZ-UHFFFAOYSA-N 432.477 1.880 30 10 IDEE N#Cc1ccc(COc2cn(CCCN3CCOCC3)c(CN3CC(O)C3)cc2=O)cc1 1870349192 DPBIZDPEHXHUBX-UHFFFAOYSA-N 438.528 1.198 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870499403 MHFVMNHJZBECPG-UHFFFAOYSA-N 425.489 1.111 30 10 IDEE COc1cc2[nH]c(C(=O)O)c(/C=N/n3c(S)nnc(CCC(=O)O)c3=O)c2cc1OC 1873498220 WDNIXKOGLPRXNQ-FBCYGCLPSA-N 447.429 1.023 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc(O)cc1O 1874434137 PJGATGJMJVPSFD-LSHDLFTRSA-N 446.533 1.749 30 10 IDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c(O)c1 1874435290 XMYNNNMNRXDICF-SSDVNMTOSA-N 448.549 1.948 30 10 IDEE COc1ccc(CN2C(=O)CCC[C@@H]2C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1891214780 WCFNTQDFCSZBPM-HXUWFJFHSA-N 434.500 1.585 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141670072 KMCTWYMXPSODMG-GDBMZVCRSA-N 447.341 1.937 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678818 SETRSRJEWGWCPN-CQSZACIVSA-N 446.313 1.055 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(Cl)c(C#CCO)n1 2241195086 AEHZDOSJZQYEMU-UHFFFAOYSA-N 447.900 1.897 30 10 IDEE C=C(CS(=O)(=O)N1CCC(NC(=O)C(F)(F)F)CC1)B1OC(C)(C)C(C)(C)O1 2244256209 QAKQNYCNRRKWHP-UHFFFAOYSA-N 426.266 1.647 30 10 IDEE CN(CCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2247953965 WMZFCOGODBHRIP-UHFFFAOYSA-N 434.371 1.130 30 10 IDEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255545598 SMUGHMQQGHCDJE-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2255600648 AVLFSKVBIQOWGY-UHFFFAOYSA-N 435.330 1.335 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2255648438 BUDKJMMNDFOTPB-NWANDNLSSA-N 432.330 1.457 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255699066 UVLVVQMDZQNXIV-HUUCEWRRSA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256620855 NURDLAKARCQEGS-CABCVRRESA-N 433.314 1.690 30 10 IDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256622865 MPNYJECMQYYLIV-HNNXBMFYSA-N 436.314 1.819 30 10 IDEE C[C@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267127105 GUHZJATWKCENQT-AAEUAGOBSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267267012 UFNBCLYGZLAEPS-RCDICMHDSA-N 444.341 1.905 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267504395 RGOWQFCZNFIIJV-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1cnn(Cc2ccccc2)c1 2267600578 IRUGKTWWRARDLT-OAHLLOKOSA-N 436.325 1.850 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270596416 BSGUKDQBSAFJRD-LBPRGKRZSA-N 442.247 1.449 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2337196064 HEYCOBDFUJAKHT-INIZCTEOSA-N 443.309 1.509 30 10 IDEE CS(=O)(=O)C1(C#C[C@@]2(OCCC(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)CC1 2367797727 WRQOOZVYHBHXNR-UWJYYQICSA-N 435.498 1.886 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 102747456 NNVSGDNXJFODKE-LCPUNJGISA-N 442.491 1.930 30 10 IDEE N#Cc1ccc([C@@H]2N[C@](CC(=O)O)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc1 247647658 LAXWFYRVKMOQEA-GBPOLFSSSA-N 433.420 1.302 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)ccc1F 433498012 SWKPVFDNHZCDCN-AWEZNQCLSA-N 429.429 1.383 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ncccc3F)CC2)cc1 437167992 CQFQVGVLOMURJH-UHFFFAOYSA-N 433.465 1.187 30 10 IDEE COc1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1C(=O)N(C)C 460771075 SEPMAHGBGTYNDB-UHFFFAOYSA-N 426.458 1.650 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C[C@@H]1CCCO1 461373802 KKFLGDIFWKSZRU-SFHVURJKSA-N 441.553 1.264 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461756252 NTNLFSGCFKOKPC-UHFFFAOYSA-N 426.458 1.316 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ncccc2S(C)(=O)=O)cc1 488368538 CNSIOZQUPWBKRK-UHFFFAOYSA-N 438.531 1.613 30 10 IDEE N#Cc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1F 488850532 GSJVAUHQLLYAKQ-UHFFFAOYSA-N 439.490 1.197 30 10 IDEE CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 497518888 MBGUGJMRHNTDID-UHFFFAOYSA-N 427.530 1.850 30 10 IDEE N#CCCSc1ccccc1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 497682261 UIWQPVTUGPOWJD-UHFFFAOYSA-N 443.573 1.691 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2C)c1=O 502043193 AHJUHQFFMJSNAT-UHFFFAOYSA-N 442.504 1.478 30 10 IDEE N#CCCn1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c(-c2ccccc2)n1 506583271 ASHFGMGFLNAALW-UHFFFAOYSA-N 444.561 1.158 30 10 IDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NCCOC)CC1 508879841 IMMFXAMFMWUMBY-IBGZPJMESA-N 426.521 1.025 30 10 IDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 508911267 HUVXTLDFLFSPFW-LJQANCHMSA-N 431.500 1.961 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C[C@@H]1CCCO1 512721752 YOHMXMXPNXSJNX-HNNXBMFYSA-N 447.919 1.687 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc3c(c2)CCC3)c1=O 523306313 CAVAKUJFGCGTJL-UHFFFAOYSA-N 430.533 1.993 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1C[C@H]1CCCO1 532629945 TYAKIYOGQRCMDV-LJQANCHMSA-N 446.532 1.400 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 559649145 KEBPTVJTJDPDBB-FOIQADDNSA-N 436.915 1.445 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C(C)C)cc1 560355477 ACRYQOPZDWJSID-NRFANRHFSA-N 441.557 1.913 30 10 IDEE Cn1cc([C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C2(CO)CCC2)cn1 560660343 YSGJYAXECZNWTI-SFHVURJKSA-N 431.518 1.246 30 10 IDEE CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(N=C(C)C)[C@@H]1CCS(=O)(=O)C1 583925429 PRIQIDLIHFJDAQ-OAHLLOKOSA-N 431.536 1.617 30 10 IDEE Cc1ccc(Cn2c(=O)c3c(nc(NN=C4C(=O)Nc5ccccc54)n3C)n(C)c2=O)cc1 585158429 GVRUHWKUEQUOIK-UHFFFAOYSA-N 443.467 1.559 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1C[C@@H]1CCCO1 603825956 CCRAVMQKJAKLOL-AWEZNQCLSA-N 448.342 1.100 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 603999967 JGZUKVPTWOVWKT-UHFFFAOYSA-N 426.501 1.861 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)CC1 609314444 HUZJFSZDUYKHSU-UHFFFAOYSA-N 449.451 1.101 30 10 IDEE Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C 609986412 SCHQBFJTLCITFK-AWEZNQCLSA-N 442.273 1.698 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccn3)c2)CC1 610326708 WSTJJPYXBGRRJR-UHFFFAOYSA-N 437.485 1.677 30 10 IDEE Cc1ccc(/C=C\C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(Br)c1 732909789 GPURIHQVIIUYOA-WSNITJDQSA-N 425.304 1.737 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CCN1C1CC1 737199977 YFXXMKREOFPDIE-RBUKOAKNSA-N 440.504 1.124 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741439183 RVRISNFPBWDSMY-SFHVURJKSA-N 441.509 1.989 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C)cc3)c2=O)cn1 743727170 CHFSGQXXGQCVKI-UHFFFAOYSA-N 448.548 1.923 30 10 IDEE COc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 746876648 CRWSIQHTWPGAKW-UHFFFAOYSA-N 433.461 1.657 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 750045243 HWXWHCQSGGEHRF-JOCHJYFZSA-N 439.560 1.357 30 10 IDEE C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 751731478 QEIUPYNSMQGGRV-AWEZNQCLSA-N 446.485 1.102 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(C)C)c1 751922784 FTYFQBOQQCDTFI-CRAIPNDOSA-N 447.605 1.944 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1C[C@H]1CCCO1 752192932 BTUVCRXKOCOOJH-CYBMUJFWSA-N 432.571 1.137 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC(OCCCO)CC2)c1 757202241 XNRUOLCKRGQAHX-QOCHGBHMSA-N 438.550 1.895 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)n2)cc1 765546690 ZZFSCLPKXLVCBX-GOSISDBHSA-N 428.562 1.928 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N(CCc2nnnn2C)C1=O 771530302 OJVWOCVEJVLFKK-GFCCVEGCSA-N 442.332 1.827 30 10 IDEE COc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)cc1C#N 772858141 BHUOXJUJYUNYQF-UHFFFAOYSA-N 435.527 1.830 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CN3C[C@@H](Cc4ccccc4)OC3=O)CC2)cc1 781136372 BXRUTHTYNYHXPT-HXUWFJFHSA-N 440.525 1.886 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(c3cc(C#N)ccn3)CC2)CC1 795863670 IKCSTVCLZGHGKZ-UHFFFAOYSA-N 428.537 1.545 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 800775922 UYWOGZIQRARHCX-UHFFFAOYSA-N 427.509 1.742 30 10 IDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 805916064 QJLRXKOHYZVWIY-LLVKDONJSA-N 438.462 1.272 30 10 IDEE C[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C1(S(C)(=O)=O)CC1 806217052 BSTJZJRMLMIZLM-JPDJOPTESA-N 442.563 1.587 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2C[C@H]2CCOC2)CC1 812426971 PAHYKDOTFZOQCM-UTKZUKDTSA-N 435.528 1.957 30 10 IDEE COc1ccc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 913461547 DDLDOTHCZYTBTA-UHFFFAOYSA-N 442.541 1.863 30 10 IDEE CCN1CCN(C(=O)[C@@H](C)OC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)CC1 925043177 BXJOYBUUDBSLKZ-LLVKDONJSA-N 446.451 1.866 30 10 IDEE Cc1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1S(=O)(=O)N1CCOCC1 1149469189 RUBATDPLGNWKMT-UHFFFAOYSA-N 440.525 1.824 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2COC3(CCOCC3)O2)cc1Br 1188600649 IBQVELDYXJTXDO-NSHDSACASA-N 435.271 1.660 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1286277444 YPMMXDBSYOHUHZ-JTAQYXEDSA-N 432.613 1.803 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)Cl)c1 1286311501 MXVDAYOKSHTTNN-INIZCTEOSA-N 447.948 1.989 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1286324860 SQZRSLVZBVEZSS-QGZVFWFLSA-N 429.550 1.100 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1286389971 UJWQSKRELXWXJC-SFHVURJKSA-N 446.577 1.512 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1286431246 UOFJYKZEZYBYCH-UHFFFAOYSA-N 447.586 1.036 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOC[C@@H]2C)CC1 1286475051 VTZBSDXKCSUGEZ-KRWDZBQOSA-N 429.956 1.469 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1286479273 LEPIQDDIRLHOBO-VQTJNVASSA-N 439.539 1.426 30 10 IDEE C=C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1286644624 ZUVVCWASCBFVSS-UHFFFAOYSA-N 431.500 1.760 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1286679700 AKEVZFCROCUBRJ-QGZVFWFLSA-N 438.598 1.777 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCOC1 1286787675 IIGCZAGXEPCWMQ-KRWDZBQOSA-N 448.568 1.920 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286830153 JEHIQJMESKEVBL-ZDUSSCGKSA-N 439.563 1.548 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1288987868 HHAXSJLNQORYPG-LJQANCHMSA-N 435.575 1.610 30 10 IDEE CC[C@@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1292331745 OZVPHDHPAGWFEL-XLIONFOSSA-N 448.549 1.750 30 10 IDEE CN(CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1298706423 UQAFICXDACCKQP-GFCCVEGCSA-N 441.414 1.229 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C)c2I)cc1 1300034564 FFSTWKAPXBOKDS-UHFFFAOYSA-N 444.254 1.487 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1300766197 WKMSGYNVDSPEHE-IBGZPJMESA-N 427.574 1.765 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1300778143 NOYKPSTYBATYAT-GCJKJVERSA-N 447.605 1.888 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCOC2)C1 1300863922 WKJSEZRASADGMP-MPGHIAIKSA-N 443.342 1.906 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cnccn1 1300877391 XMUYLWOYJQYXKI-RYRKJORJSA-N 449.581 1.338 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1300951688 FTTAKAZGTAPUKV-INIZCTEOSA-N 426.525 1.292 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)CN2CCOCC2)CCO1 1301372631 GIUOFNVOLLDVCQ-RXVVDRJESA-N 440.548 1.637 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N(C)C 1301422479 MIKCZYGIFKSJSB-UHFFFAOYSA-N 425.493 1.711 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccccc2OC)C1 1301475813 ZIBYYMFSIQVFAD-KRWDZBQOSA-N 438.532 1.819 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)NC)C1 1301545920 NNJAAMDRTCSDCT-OAHLLOKOSA-N 435.506 1.004 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 1302362785 MUTWFARYWRWIGC-FQEVSTJZSA-N 430.486 1.393 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1303488553 DKIDZODWPJTYJC-VFNWGFHPSA-N 428.493 1.499 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@H]1N1CCOCC1 1305149217 NSLFAGWNJNFOPT-GHTZIAJQSA-N 440.548 1.373 30 10 IDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCc2c(sc(N)c2C#N)C1 1308131901 MYCGXIKLXJXJPL-GFCCVEGCSA-N 433.559 1.838 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nn1 1309602620 AWATZJPKVFINCV-UHFFFAOYSA-N 439.563 1.426 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1310158876 WNLPFGNWJTURKA-KRWDZBQOSA-N 425.482 1.397 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1358956538 HGIXSDZIULYMSL-GGXPGOJBSA-N 426.514 1.087 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1OC 1358976949 YBQWYYQQXCNXKH-UHFFFAOYSA-N 434.456 1.539 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1359000408 UUNGHLBCNBIGNU-GFCCVEGCSA-N 430.456 1.810 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCOC[C@@H]1C 1359020047 PURZJIBJJRQXHU-KRWDZBQOSA-N 428.493 1.660 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CCN1CCN(C(C)=O)CC1 1359020501 FRJYXZQEJFCEOC-UHFFFAOYSA-N 438.576 1.758 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1359023365 IIRKOOMNEAZDGD-OYHNWAKOSA-N 438.488 1.220 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCN2CC)CC1 1359043881 MPNYTWKWWVEARU-HXUWFJFHSA-N 438.580 1.519 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC[C@H]2CCOC2)CC1 1359045207 ZPDCXEWVIMWZTP-QUCCMNQESA-N 445.564 1.191 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)Nc2ccc(F)cc2)CC1 1359159150 OIDXUABKYNWKBI-AWEZNQCLSA-N 436.513 1.823 30 10 IDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359228683 KQFIBKPOUUCMCQ-QGZVFWFLSA-N 444.561 1.996 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359228964 UPFAGBFNHSLLFE-UHFFFAOYSA-N 434.566 1.328 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1359302168 YHITUURCAYKCNR-MRXNPFEDSA-N 442.568 1.922 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1359302924 YDHDSFZILQUKBA-UHFFFAOYSA-N 433.516 1.598 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(OC)C1 1359329290 DWUSAFQZBFQUPP-UHFFFAOYSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 1359333703 HBSAIXRNCZFFTF-UHFFFAOYSA-N 449.552 1.714 30 10 IDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1359457256 BKRIDIPLYZVUED-OAQYLSRUSA-N 438.467 1.160 30 10 IDEE CCNC(=O)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1441090829 LUFDTKNFIUQMOJ-UHFFFAOYSA-N 434.338 1.037 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC(C)(C)C 1444481550 FDYCYWLLVYOEMF-UHFFFAOYSA-N 430.461 1.750 30 10 IDEE CC1(C)C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN(C(=O)OC(C)(C)C)C1 1454577059 HNSBDZVCFRKILL-OAHLLOKOSA-N 433.509 1.753 30 10 IDEE O=C1NCCC2(CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)O1 1456568147 PBSVTYRPLWWIAN-UHFFFAOYSA-N 448.545 1.777 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(F)F 1457817936 HYVUVJXEIPGAIY-AWEZNQCLSA-N 446.476 1.501 30 10 IDEE N#CCCN(CCC#N)C(=O)CN[C@H](CO)c1ccccc1I 1460913303 HQSBAWWUYPDEMK-OAHLLOKOSA-N 426.258 1.570 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)cc1 1463163310 BOULDKAXNHVRGG-UHFFFAOYSA-N 427.408 1.750 30 10 IDEE CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1469273604 NNFPSRICKXXQPW-HXUWFJFHSA-N 440.525 1.582 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cc[nH]n1 1470391688 YBUCEZGWZHAPCK-AWEZNQCLSA-N 429.260 1.850 30 10 IDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1470490941 UFGIXWSQZMBUDS-QGZVFWFLSA-N 439.520 1.650 30 10 IDEE CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1475594957 AURDDVRXGOWFCY-UHFFFAOYSA-N 438.506 1.116 30 10 IDEE CCn1cnnc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1502238266 UNWMJMTVPYRIJD-CYBMUJFWSA-N 446.313 1.435 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1503727173 ZDLHGYQIZDWTHF-QFIPXVFZSA-N 425.537 1.357 30 10 IDEE CSCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1505247261 WZGITGPMIBBHEU-QGZVFWFLSA-N 440.577 1.966 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507629690 WAUQZAPGWUURCC-ROUUACIJSA-N 431.493 1.428 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507653000 MJRQFVJDRVBPHZ-IBGZPJMESA-N 431.475 1.984 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCn2ccnc21 1507704135 QLECGPQIKRZSHA-AVRDEDQJSA-N 428.537 1.790 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1 1507710937 MPYBZOICFLYICO-ROUUACIJSA-N 432.546 1.734 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)c(COC)c2)CC1 1507715814 IJXLBTMEITUVRU-UHFFFAOYSA-N 428.512 1.505 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccn(C)n2)CC1 1507722659 DGZXAMXKJZCYSK-UHFFFAOYSA-N 435.532 1.694 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2COCCO2)CC1 1507735924 BAIGBGJRJUXNED-QGZVFWFLSA-N 427.480 1.465 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CC1 1507883876 BELFIFJDANCDRL-RTBURBONSA-N 437.610 1.574 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1 1508074929 NWLRLXUTHHCDRX-MRXNPFEDSA-N 444.511 1.918 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1508091218 SWWUVMPQNIBPGW-LJQANCHMSA-N 438.532 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508140258 LKMWANLUHGAHKK-JSGCOSHPSA-N 448.471 1.435 30 10 IDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1515718190 NPOOBNQRJIOKHK-GOSISDBHSA-N 438.598 1.974 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)cc1 1515901358 DVGMGVPDJKBMMP-VQTJNVASSA-N 431.562 1.901 30 10 IDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)ncc1C#N 1521071562 NCXUTHKGPDTLQD-UHFFFAOYSA-N 428.499 1.413 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2cccc(C#N)n2)c1OC 1526552424 DKBBWCHWVUPFPD-UHFFFAOYSA-N 432.458 1.244 30 10 IDEE C[C@H](CC#N)C(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c1 1528438276 ZTSOJZQGUOGCMM-SECBINFHSA-N 438.325 1.663 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1533746075 IZOONPZFWDWXKE-SFHVURJKSA-N 438.546 1.898 30 10 IDEE CS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Cl)cc1Cl 1539118253 KHSBFJBSZLHUJP-BJOHPYRUSA-N 437.326 1.407 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1539196314 JICUMIIFWZESNJ-UHFFFAOYSA-N 430.472 1.959 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539206981 YNAZLGYLFMJBMZ-DOTOQJQBSA-N 448.545 1.624 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1540037129 BSUQEGODYNMRQP-ZWKOTPCHSA-N 439.582 1.440 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1540119103 GWNGNWBXNJGWKG-FDDCHVKYSA-N 438.532 1.909 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC(CC(=O)NC)CC1 1540872056 ARTJMVMQPDUJQU-UHFFFAOYSA-N 440.548 1.532 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1540875675 UKIMHPQQAHNOOT-IRZJEQJZSA-N 448.568 1.116 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1541276378 ZIKRENIZGSNKIX-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1541803168 DJDXKRUSVUQGBV-YJBOKZPZSA-N 446.533 1.564 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1541993303 NAZZUNDTKXCDOU-IRXDYDNUSA-N 437.566 1.506 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCCO)n1 1543065882 NCDBZDPRVJMGPD-HXUWFJFHSA-N 426.569 1.869 30 10 IDEE CCC1(Cn2cc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)nn2)COC1 1544403206 XHGFOOWUOSMENW-NKFKGCMQSA-N 446.533 1.770 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C1 1556132217 GZBIMDPGRONUPE-DOMZBBRYSA-N 443.435 1.363 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(Cc3cn[nH]c3)CC2)C1 1557095648 UCRMXMYDUMHQHI-UHFFFAOYSA-N 429.322 1.824 30 10 IDEE Cn1nnc(NS(=O)(=O)c2ccc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)cc2)n1 1558164730 CQBZRMAMUKGIPL-WCIBSUBMSA-N 430.421 1.371 30 10 IDEE C=CCOC[C@@H](NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OC 1568154157 BNIIOFGVNQTTAK-GFCCVEGCSA-N 430.255 1.654 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1c1ccccc1 1570707090 FNTFAQNBPCPBFA-ZWKOTPCHSA-N 438.484 1.795 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1583239440 YIRNGZCEDQZBDL-MSOLQXFVSA-N 436.530 1.724 30 10 IDEE N#Cc1cccc(ONC(=O)c2cc(I)ccc2-n2cnnn2)c1 1587205506 WQKBCQQVEPAZKS-UHFFFAOYSA-N 432.181 1.862 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1587574696 KNZXRKNHAOPNFA-NSHDSACASA-N 429.344 1.053 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(C)S(=O)(=O)CC 1587581148 WPIZDLBKHXXGJP-HNNXBMFYSA-N 434.522 1.983 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1587884092 PUOYROMGJBZQLV-UHFFFAOYSA-N 436.516 1.874 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1588645832 DBIYWLCPLHKVAR-CABCVRRESA-N 430.621 1.115 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)cc1 1588647259 SRDVUGDUSGRSQU-GOSISDBHSA-N 432.546 1.713 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccccc2F)CC1 1588733453 SXWMKXLRGMDDEL-KRWDZBQOSA-N 428.512 1.778 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC(=O)N(C)CC)CC1 1588871371 AWHQXBUMJRORAO-UHFFFAOYSA-N 440.548 1.489 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1589395241 SRTVSBPVCDBEEE-KBPBESRZSA-N 439.358 1.879 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOCC1 1589483692 PTTLIZIECBFEMH-RBUKOAKNSA-N 432.569 1.264 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C2CC2)CC1 1594241609 WBGOTOAHHWKSDZ-YLJYHZDGSA-N 439.582 1.174 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1595218846 PCXBWEDMJZWTPC-OAHLLOKOSA-N 430.596 1.572 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595555658 GMTHBQKMNLBQGN-OPAMFIHVSA-N 429.496 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595797844 JSSWQJVHROXZBJ-KGLIPLIRSA-N 438.472 1.888 30 10 IDEE CCOCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1617110127 UHBYYBAZNFHXCX-MSOLQXFVSA-N 440.552 1.975 30 10 IDEE CN(C)CCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1617703211 SXCOTWVEKRBRLN-SFHVURJKSA-N 434.928 1.817 30 10 IDEE COC[C@H](F)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1619611154 FEJNBOVWDRXCGT-CHWSQXEVSA-N 427.278 1.759 30 10 IDEE C#CCN(CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC)CC(=O)OC(C)(C)C 1619905535 XGEHTHZNEDKWBS-UHFFFAOYSA-N 437.518 1.548 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N(CC#N)C3CCCC3)CS(=O)(=O)[C@H]2C1 1629510493 PGWPOLKKSWRLRV-UAGQMJEPSA-N 425.551 1.951 30 10 IDEE C#CC[C@H](NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)OC 1629617573 TYJAYBMCXIMTDT-KRWDZBQOSA-N 432.523 1.790 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCOC[C@@H]2CNC(=O)NC)nnc1-c1ccco1 1636363157 NEAYGIKIFVEQMN-AWEZNQCLSA-N 434.522 1.363 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1 1648716297 SDQOQPWOELRFCG-OAQYLSRUSA-N 426.498 1.646 30 10 IDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1651015696 QKYUNIOTYICTEP-OAQYLSRUSA-N 447.488 1.840 30 10 IDEE CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1651069169 HRUMMSCXZPRWDM-IBGZPJMESA-N 429.498 1.469 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1CCNC1=S 1654098791 DFQOQIBNNCQDPH-KRWDZBQOSA-N 429.546 1.699 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1654152200 LBUCNNUJKFQEBR-HXUWFJFHSA-N 428.508 1.811 30 10 IDEE Cn1nccc1C1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1654685432 AEPYIJIWPKOVSW-KRWDZBQOSA-N 428.562 1.174 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)NCCS(=O)(=O)C1CCOCC1 1655385572 AXSKYHPQWZMMRO-UHFFFAOYSA-N 437.337 1.193 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)Cc3cc(C#N)cs3)C2=O)cc1 1655727586 XRFANIWHJJLOCH-HXUWFJFHSA-N 427.486 1.559 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 1665665764 WSSUJTMDUVPVLP-UHFFFAOYSA-N 444.542 1.223 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OC 1670892631 CGUPSHUTVSIIFP-QGZVFWFLSA-N 430.548 1.647 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1689853497 UNVUYBZIVCPSMS-HZPDHXFCSA-N 427.571 1.132 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1689936743 BJPPHROEHXCHCA-QFIPXVFZSA-N 442.589 1.984 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1689990949 TVVOPUJVQJVULK-ROUUACIJSA-N 438.594 1.862 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1689998474 NCPVFYJJLXUJTH-WOJBJXKFSA-N 444.557 1.951 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(-n2cncn2)c1 1690106379 SNLKAXQWFBPCCH-UHFFFAOYSA-N 434.504 1.116 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OC)CC1 1690146381 MJASJVYGSPZYMF-IBGZPJMESA-N 438.532 1.590 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1690669167 WHHAOXWECYLWNC-UHFFFAOYSA-N 433.516 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCOC(C)(C)[C@H]1C 1690729835 SYGPMTQTPSTTKG-OAHLLOKOSA-N 425.555 1.005 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1692593776 JCBFVKGKTBTIRU-AVRDEDQJSA-N 448.568 1.158 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1698254724 NESCOGQVDWTHPE-JYJNAYRXSA-N 446.474 1.615 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(CCn2cccn2)CC1 1705538586 UMTPVINROVZWIR-UHFFFAOYSA-N 438.580 1.611 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705559705 AUFMUSDERRGBRX-UTKZUKDTSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705561273 OPIKKYCBXJCKAC-GDBMZVCRSA-N 425.555 1.374 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1705570597 RSECGTNXVWDTHM-INIZCTEOSA-N 435.575 1.035 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccoc2)CC1 1705633861 ABFMMKKAMJKREU-UHFFFAOYSA-N 425.514 1.745 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705647628 IZGBWRACOPLGSG-BJLQDIEVSA-N 442.564 1.256 30 10 IDEE C=CCC(C)(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OCC)CCOC1 1705802872 YDPFIOAPCSTZIQ-JOCHJYFZSA-N 435.569 1.828 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1705843596 JMGPOAGSWKAITQ-IBGZPJMESA-N 429.590 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC(C(N)=O)CC1 1705895854 VCOBOCOSJHQDGL-UHFFFAOYSA-N 433.516 1.806 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705937842 GJRKXZZEYTUJLF-FQEVSTJZSA-N 438.525 1.652 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CCOCC2)n1 1707833546 XIXFNSNHPZZTMC-FQEVSTJZSA-N 443.552 1.702 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@@](C)=O)CC1 1710734469 DLAUWCDOICGIPN-LHEBDHONSA-N 444.565 1.102 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1712611349 ZXMAJGMUATVSBH-UHFFFAOYSA-N 440.504 1.949 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCN(C(C)C)CC1 1722299311 OHLWLZBWGZRXKY-QGZVFWFLSA-N 444.605 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1722390795 UZDCXUCKFBMWRR-HKUYNNGSSA-N 440.573 1.866 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722461261 ABUNHVDMKVHLAQ-UHFFFAOYSA-N 430.622 1.732 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722493891 LETVRDDBLWUCFO-BTCOZLQPSA-N 444.580 1.894 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1722559658 DMSFLYDVVITIFO-ABSDTBQOSA-N 439.582 1.773 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1722632140 JCOINYBHJSILRS-NRFANRHFSA-N 429.546 1.982 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(O)c2sccc2n1 1722702021 CRZQHPOOOQNADB-CYBMUJFWSA-N 429.506 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(Cl)=C(Cl)C1 1722724656 CLLKCMQPBRPVRL-UHFFFAOYSA-N 436.365 1.916 30 10 IDEE C[C@@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1726733469 BCRMTADYSSUUBV-GGPKGHCWSA-N 425.537 1.492 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730488348 MCKZQSLDHRHYNB-MSOLQXFVSA-N 429.500 1.750 30 10 IDEE COCCOCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730919422 PIZJCASBKIABLG-UHFFFAOYSA-N 436.520 1.920 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CC2)C1 1731019160 RVCXVCFAAMNNLB-GOSISDBHSA-N 444.561 1.904 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740576851 JNRITUGQKGEEKR-UHFFFAOYSA-N 440.552 1.608 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCC(CO)CC2)cc1 1740613232 YQFZRJUWIRHELJ-UHFFFAOYSA-N 436.560 1.727 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740619815 LLGSUWRBSZPWNG-SJORKVTESA-N 447.948 1.965 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1740689718 HKCABJKXVZFBRA-UHFFFAOYSA-N 429.590 1.977 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCC2)CC1 1740690267 QXGVCROIJKKBCN-UHFFFAOYSA-N 435.576 1.998 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(=O)NC)C1 1740750967 WKBKMXWUFUVMOL-DEYYWGMASA-N 442.358 1.873 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740786530 HENWVAFSXAHEKO-DLBZAZTESA-N 439.520 1.766 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740802242 JUBLKEPMGJVATN-ORAYPTAESA-N 440.932 1.569 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCOCC2)CC1 1740832796 IMGIEZBLKRMRLJ-DLBZAZTESA-N 440.614 1.259 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1740932473 OUSNMZVLISOLPG-GOSISDBHSA-N 447.565 1.131 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740955831 AWZNTIYGMLVVHS-FQEVSTJZSA-N 449.964 1.916 30 10 IDEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741115021 KEJJQNRYBGHPNN-UHFFFAOYSA-N 433.520 1.403 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1748803392 YDYRXVXVGSYLNK-MRXNPFEDSA-N 439.607 1.284 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748840684 GNNIIRVYBBGPSQ-UHFFFAOYSA-N 440.511 1.157 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749037833 GQXPVAOXAPVSKF-CHWSQXEVSA-N 438.497 1.314 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1749667213 UJQPDGABTMJURP-UHFFFAOYSA-N 437.504 1.109 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCC)CC1 1749676116 FCEHHLCZNLBPPG-UHFFFAOYSA-N 433.538 1.215 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749676159 GVMRZQYQVCWUQA-KRWDZBQOSA-N 445.593 1.095 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1749680351 JRGALJDSDNXTHR-MRXNPFEDSA-N 442.520 1.130 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC(C)(C)O)cs1 1751780856 FCVHOCWEDXGLGZ-UHFFFAOYSA-N 438.561 1.998 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@]2(CCOC2)O1 1752313071 VJTMNDXFWJYZDZ-WZONZLPQSA-N 440.548 1.779 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760173267 POMXSCMZXYBIRM-XUTLUUPISA-N 436.472 1.558 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1760232312 ADJSEKZCLJPMIX-HSZRJFAPSA-N 436.516 1.847 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC2CCCC2)CC1 1760268805 PNASIHQENYDVII-UHFFFAOYSA-N 439.564 1.994 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760358560 WPKSIUGTMNGNFW-IRXDYDNUSA-N 432.525 1.141 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1760444872 TWMBROGBWSRBHH-CVDCTZTESA-N 446.596 1.639 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760450688 PRILXDLCZMRYEX-BBWFWOEESA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCCC(=O)NC 1760522142 MLFKWGZIKHESSM-QGZVFWFLSA-N 428.493 1.055 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1760522943 HMBKPDDLRFBEJX-HXUWFJFHSA-N 446.559 1.996 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760523540 BGDDOKYLSKTOGJ-IRXDYDNUSA-N 448.568 1.825 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760526818 UMLIZXNCUJVVPI-ZWKOTPCHSA-N 437.548 1.950 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(CCN(C)C)CC2)C1 1760542056 JKSOLNIQVOYIBI-NHCUHLMSSA-N 432.613 1.837 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCC(=O)NC 1760554213 WCWMMKMSQCNUGX-UHFFFAOYSA-N 430.534 1.600 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1761364795 TYWFUOGMZZBBOR-HIFRSBDPSA-N 429.456 1.723 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)OC)CC1 1765560829 NWSDETPFFLJLNL-GOSISDBHSA-N 427.553 2.000 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1767234114 XFNQWAHPKJFHNX-UHFFFAOYSA-N 434.548 1.930 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCN(CC)CC2)CCOC1 1767424083 GBJDSKULSMADJF-QHCPKHFHSA-N 445.612 1.698 30 10 IDEE CCO[C@@]1(c2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1767424311 GTHRTILSVZQDKA-OGLOHFSISA-N 428.493 1.223 30 10 IDEE Cn1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=C(C(F)(F)F)CC2)n1 1769087695 SBRSIFKRDFBXAX-UHFFFAOYSA-N 445.409 1.999 30 10 IDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1C 1769296596 HOFFUUDEQDLPOO-UHFFFAOYSA-N 436.520 1.781 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1770730860 FNJGAFZNRFVMDL-SPYBWZPUSA-N 428.459 1.928 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CC#N)CC1 1771356952 BQWGEYVPQHDQHE-SFHVURJKSA-N 431.518 1.965 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CC1 1852432296 MYUSZPSOHQKEAD-UHFFFAOYSA-N 441.435 1.870 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(Cc2cnnn2-c2ccccc2)CC1 1852551901 LIFAJNOSJAETJU-UHFFFAOYSA-N 432.484 1.871 30 10 IDEE CC(C)(CN1CCN(S(=O)(=O)N2CCCC2)CC1)C(=O)Nc1ccc(CC#N)cc1 1853316865 TVTAJHZRIFDESH-UHFFFAOYSA-N 433.578 1.676 30 10 IDEE C=C[C@@H]1CCCCN1[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855411570 HSBBCOONIOFAMD-WBVHZDCISA-N 431.514 1.389 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CCN1CCC#N 1855912458 RDYAHTMHBDFJLS-QGZVFWFLSA-N 436.509 1.342 30 10 IDEE C=CCNC(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861612205 MSTGIGPHIDCQMJ-AEFFLSMTSA-N 447.557 1.756 30 10 IDEE C=C(C)CN(CC)C(=O)CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882515119 SXNMANRJBAGAGW-MRXNPFEDSA-N 426.491 1.205 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)CC1 1889423380 VVOSZVGGDLRORH-UHFFFAOYSA-N 427.545 1.259 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)cc1 1891492413 VJBQTCLHYWRKIU-UHFFFAOYSA-N 441.557 1.915 30 10 IDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2060402757 QUVGKPAFOLDOEY-CQSZACIVSA-N 449.470 1.830 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255654482 XOBCCNUEFQEFBG-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255826688 CJYKQYZMRDABAD-UHFFFAOYSA-N 438.334 1.370 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828493 FEOALTTZCYYGAB-UONOGXRCSA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255833144 XUVCKZTUZLDLKE-KCQAQPDRSA-N 432.330 1.694 30 10 IDEE Cc1c(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267000948 FBBGDAWWUYVFGT-QZTJIDSGSA-N 436.365 1.888 30 10 IDEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267008872 INHKMVPCLPLIEX-AAEUAGOBSA-N 444.263 1.248 30 10 IDEE CN(Cc1ccccc1)[C@]1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267093905 YZYHGKZOYPKHID-QHCPKHFHSA-N 440.353 1.730 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2267267236 VLFBPWFDWFHGPH-HZPDHXFCSA-N 447.341 1.481 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]1NC(=O)C(F)(F)F 2267272499 ZZOOYTZAGGMTLG-OCCSQVGLSA-N 441.259 1.910 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267291607 SGTIYWPKIGNQFH-MRXNPFEDSA-N 448.373 1.595 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCC2CC(NC(=O)OC(C)(C)C)C2)n1 2267542518 SOADWZJGQWYBIP-UHFFFAOYSA-N 449.361 1.538 30 10 IDEE C[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282842907 FJEQIDZTCCRCQM-FORDYWAESA-N 439.817 1.842 30 10 IDEE C=CC[C@]1(CO)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2287685034 BXUSBJDBPCYFNX-PXNSSMCTSA-N 440.518 1.045 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2334272716 MOOGLHWTHQWSJX-VNQPRFMTSA-N 444.341 1.904 30 10 IDEE N#Cc1c(N2CCC[C@H](C(=O)O)C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C1CCCC1 3295256 ROKDIRVAAZVJLR-NSHDSACASA-N 435.488 1.799 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 11240430 QSNWVKDUGNBGNU-UHFFFAOYSA-N 444.517 1.577 30 10 IDEE C=CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(C(=O)OC)ccc21 13794835 DINRIELZCLNQJR-MVZUJROASA-N 437.543 1.917 30 10 IDEE COc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(NC(=O)/C=C/C(=O)O)cc2)c(OC)c1 20159760 JDZGWUGHVVOSRK-VZHWJRQPSA-N 447.469 1.986 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(O)cc2)[C@@H](C#N)C(=O)N3)CC1 101442518 PHYVMSDAZAYJRV-CVEARBPZSA-N 437.456 1.479 30 10 IDEE COc1ccc(C[C@H](C)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1OC 460611736 LJWVXMKKGNMGKM-HNNXBMFYSA-N 448.483 2.151 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)CC1 466533202 ZNEGCZSIDSDVOH-OAHLLOKOSA-N 428.493 1.436 30 10 IDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 477065960 MLBPXGYCRZTYTN-UHFFFAOYSA-N 426.907 1.580 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)Cc3ccc(C#N)cc3F)C2)cc1 480717141 SHRCCXMLIVEMGH-UHFFFAOYSA-N 439.490 1.198 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 508834389 UIECMNLXCUMVOX-QUCCMNQESA-N 441.532 1.977 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)n1 544894242 QYBSRRCCEJWMRR-UHFFFAOYSA-N 426.502 1.748 30 10 IDEE CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 546078561 VZZAVASUAGNHRE-UHFFFAOYSA-N 432.484 1.540 30 10 IDEE C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1n1ccnc1 558055766 FUKJLEYHUOFDPC-UXPWSPDFSA-N 434.500 1.082 30 10 IDEE COc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1C#N 571456607 LJLQZVRPGMQXKN-UHFFFAOYSA-N 430.486 1.510 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCOC2)CC1 578086057 FYRFYIICVDKAIZ-QGZVFWFLSA-N 428.512 1.545 30 10 IDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 579516579 RPDYOGLVHZZSHV-SFHVURJKSA-N 436.852 1.987 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 603733550 YKPVFIYLJIAXJO-KRWDZBQOSA-N 445.570 1.907 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c(=O)n1C[C@@H]1CCCO1 610487373 NKTFYYGRYUOJIS-BHYGNILZSA-N 439.537 1.610 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc3cnccc23)c1=O 611917519 SKFIILHPEVRWRR-UHFFFAOYSA-N 448.573 1.722 30 10 IDEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1C 728557003 CCUOCFVHEHMOFM-GOSISDBHSA-N 442.585 1.555 30 10 IDEE CCN=c1nc(NCC)n2c(SCC(=O)NCc3ccc(C#N)cc3F)n[nH]c2n1 729846349 ZRODQJCCHOUPED-UHFFFAOYSA-N 429.485 1.224 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 735579199 BDYOVWSLRBBNLZ-YGCDDZCOSA-N 441.488 1.643 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747499626 ZZBNKNDELNFIOK-UHFFFAOYSA-N 444.513 1.852 30 10 IDEE O=C1c2ccccc2C(=O)N1CC=NNc1ccccc1S(=O)(=O)N1CCOCC1 755753359 FUYLJGDPYWYXKS-UHFFFAOYSA-N 428.470 1.401 30 10 IDEE CC(=O)c1ccc2c(c1)CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 756076972 JOWUBJIDYCXINP-UHFFFAOYSA-N 425.510 1.945 30 10 IDEE COc1cc2c(c(OC)c1OC)CCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 770394755 CZWLJYTXZXJFBC-DYTRJAOYSA-N 444.488 1.349 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(Cl)cc1 771539132 BADMSEGWIHHGLO-CQSZACIVSA-N 433.925 1.706 30 10 IDEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccncc2)c1)[C@@H]1CCS(=O)(=O)C1 774180429 RMFJEGOGWUEFNX-LJQANCHMSA-N 426.498 1.666 30 10 IDEE COc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)c1 784117939 KAVOQHIMCNLJCJ-KRWDZBQOSA-N 428.518 1.977 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)c3ccc(Br)cc3C2=O)n1 788369832 MOSHXEGWVKGUEU-UHFFFAOYSA-N 431.290 1.981 30 10 IDEE CS(=O)(=O)CCCS(=O)(=O)Oc1cc(C#N)ccc1I 798464886 LSYRWDIFLVUVJW-UHFFFAOYSA-N 429.257 1.306 30 10 IDEE C#CCN(C(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 807551541 VKFLJPONAJGWPE-OXQOHEQNSA-N 443.566 1.234 30 10 IDEE C#CCN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C)[C@@H]1CCS(=O)(=O)C1 809864494 JTIDVSPPWPOXPM-JKSUJKDBSA-N 437.566 1.556 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 813242428 PUGNBRVXEWHBJX-QGZVFWFLSA-N 428.537 1.297 30 10 IDEE COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916890213 GPOVIHKDROTYPP-MRXNPFEDSA-N 427.910 1.212 30 10 IDEE C#CCN(C(=O)CCNC(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 918755248 ZMJWMTLVGHEEJB-HNNXBMFYSA-N 427.320 1.218 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1084373799 XYDBCBBWLWNKPE-UHFFFAOYSA-N 427.490 1.561 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C#N)cn1CC 1130010748 NKIIEVWUMGZXAV-LRTDBIEQSA-N 429.477 1.996 30 10 IDEE O=C(NCc1cccc(Br)c1)NC1(C(=O)N[C@@H]2CCN(O)C2=O)CCCC1 1141380181 ILZNMBHXVKGHTN-CQSZACIVSA-N 439.310 1.667 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 1150368153 RORSVKGEHCBMJA-DYESRHJHSA-N 445.516 1.736 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)C1 1153859264 NGLTVBYNMNFNGR-YCRNBWNJSA-N 428.533 1.889 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O 1161379589 LDAKTXYLDYRQPQ-JGFGOQIWSA-N 435.527 1.676 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(CC(=O)NC)CCCCC2)s1 1167646234 XXBABYHNJIDJOC-UHFFFAOYSA-N 427.592 1.958 30 10 IDEE C#CCN(C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1)[C@@H]1CCS(=O)(=O)C1 1167959753 PQZKKJZJRQIJCP-QZTJIDSGSA-N 426.579 1.915 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1 1177755153 XVGKDJCMFFQRQV-IAGOWNOFSA-N 439.965 1.625 30 10 IDEE N#Cc1ccc([C@@H]2CN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CCO2)cc1 1198219469 OMUZGTOMSKDUBO-FQEVSTJZSA-N 426.498 1.168 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)NC 1286373541 HDGOQIDVTLOYNK-UHFFFAOYSA-N 440.570 1.011 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286473962 ZEIPTXXTIKHRCY-QTEQDKRBSA-N 431.581 1.625 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](OC)C2CC2)CC1 1286484415 KBUGGYQJQRGSRW-KRWDZBQOSA-N 428.562 1.450 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286511699 NNKGIHYAYZEVJH-FQEVSTJZSA-N 444.586 1.352 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286783006 KJFQXFNFEJIUAM-HNNXBMFYSA-N 447.503 1.526 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1287114091 QGLCJEYSTMKCJZ-HSZRJFAPSA-N 435.532 1.600 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1288233397 FEPLXDIGCJFDFW-UHFFFAOYSA-N 439.564 1.888 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1288505460 BRLNHESMQQJQDN-GJZGRUSLSA-N 431.522 1.489 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1288528647 APBLKKLSXBFFSF-UKRRQHHQSA-N 429.550 1.923 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)COc2ccc(C#N)cc2)C1 1288731526 XXHRGIILCCPQDK-QGZVFWFLSA-N 437.518 1.477 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1289000467 ZWCLBVISSSLPAX-YOEHRIQHSA-N 428.468 1.640 30 10 IDEE CC/C=C/Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1293658202 DLKWUNMJUXNRJI-AATRIKPKSA-N 437.552 1.721 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1300327373 AHIFZJBYNJEEMN-KKSFZXQISA-N 441.467 1.110 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300391575 QEDUWEQUJDAYQE-MRXNPFEDSA-N 429.502 1.403 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(Cn2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1300497948 FILHVHKVKHWKBT-HXUWFJFHSA-N 438.557 1.760 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1300509427 LHNBZIZVUUHOLC-HKUYNNGSSA-N 428.562 1.264 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](C)C1 1300579557 WZXWQJUBKORBQJ-OTWHNJEPSA-N 433.578 1.510 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(OC)CCOC1 1300625237 CZRYXJCEAHXRMD-JOCHJYFZSA-N 425.537 1.717 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1300695804 KFMQQCINQWVWTI-UHFFFAOYSA-N 439.564 1.906 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC2(COC)CCCC2)CC1 1300706472 NNCCXQGBNLTEIY-UHFFFAOYSA-N 428.581 1.753 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1300849538 QVDQECDTOZSMLQ-MAUKXSAKSA-N 426.359 1.992 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCN(C)C2)CC1 1301111869 IDSLFCYCGNDSED-QFIPXVFZSA-N 445.589 1.818 30 10 IDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301221440 KESFNNFOTAVBIW-QZTJIDSGSA-N 439.582 1.379 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccccc2)C1 1301479219 WNKILCNFHPERKY-GOSISDBHSA-N 447.499 1.806 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCOC2(CCOCC2)C1 1301578549 DHQQYPLWPWBGCU-UHFFFAOYSA-N 435.550 1.270 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1301965258 IFWIPHQCBCDYKH-KGLIPLIRSA-N 434.522 1.569 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)C1 1303940102 SIKGSOIGBJAGCM-GCKMJXCFSA-N 444.561 1.940 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2COC)c1 1308149399 QUYBVTQGYVCJIH-SFHVURJKSA-N 430.505 1.884 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)c1 1357761233 MIEUTNPCTZSPCP-SAGAUJLNSA-N 445.538 1.745 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358964737 GLJOEBWFYKDKMJ-QZTJIDSGSA-N 431.587 1.644 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1358994616 SDDAYLGWQDXJQS-SFHVURJKSA-N 447.586 1.492 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(C(N)=O)CCCC2)CC1 1359042990 BUWMVHMAMKMGRY-UHFFFAOYSA-N 437.548 1.295 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C)s1 1359048834 CCYBGPBGGXNLNG-LBPRGKRZSA-N 428.609 1.656 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1359281840 KTXCELLILMMCGK-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE 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C[C@@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(F)cc1 1654811649 LNGVYGPWJBITHJ-ZDUSSCGKSA-N 434.445 1.892 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@@H]2C2CC2)CC1 1655716786 OGEFBLRYGRUNHL-QZTJIDSGSA-N 436.603 1.356 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC[C@H]1C(=O)OCC 1656936873 WPXKTICMDPIMTG-KRWDZBQOSA-N 443.566 1.593 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1 1669554259 AKUMWNCRACJSCI-GFCCVEGCSA-N 429.470 1.229 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1681597692 CMTMLVKKSZXZJG-UHFFFAOYSA-N 432.999 1.763 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cs1 1684863190 JMNRFWUPDQABJR-KRWDZBQOSA-N 431.543 1.507 30 10 IDEE COc1ccc(N2CC[C@@H](CNC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)cc1 1686855246 ZXURPTNDUHECME-SFHVURJKSA-N 437.548 1.967 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 1687229194 UGJOFKCEVJJBHE-SFHVURJKSA-N 426.546 1.747 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1689892249 BEYZCJYUUOFEIC-MJGOQNOKSA-N 430.578 1.786 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1689980317 POAAJHUVOLEIGA-GVDBMIGSSA-N 442.607 1.524 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](OCC)C(C)C)[C@H]1CCS(=O)(=O)C1 1689987942 GEAIGEVZXSWZEC-OALUTQOASA-N 448.593 1.757 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1690013169 DLVSYHZMVDXGST-YLJYHZDGSA-N 446.511 1.316 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690057746 GIIIYYNMZRHARM-UHFFFAOYSA-N 429.525 1.131 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)c2cc[nH]n2)CC1 1690128896 LMZDAXTWOANJGP-UHFFFAOYSA-N 432.532 1.086 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1690316411 CYURDEUAUCJIOX-UHFFFAOYSA-N 434.566 1.522 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690471105 UMZMFCOLLUWTGP-MRXNPFEDSA-N 444.565 1.448 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C)CC1 1690659522 VPFTUQXLVFGBMN-UHFFFAOYSA-N 425.537 1.354 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 1690669662 LSQCTTJPVCNQJP-MOPGFXCFSA-N 437.548 1.637 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCC=C)C1 1690672341 PBEIHSUFRVDMJY-APWZRJJASA-N 425.489 1.874 30 10 IDEE CCCNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1695428298 ATPBCMRBERMACR-HNNXBMFYSA-N 436.520 1.847 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1695445126 URGYIODXWAISPR-QFIPXVFZSA-N 437.504 1.114 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)C1 1698483700 IHTBMTNPTPRVSG-JOYOIKCWSA-N 442.261 1.610 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1C 1705551432 NKEYJMAGHSXJAH-PKOBYXMFSA-N 447.561 1.456 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1705570440 NQQWPBCMZFWVJC-LJQANCHMSA-N 446.573 1.849 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC[C@H]2C)CC1 1705634828 JZWKPJUAMPSSTK-QTEQDKRBSA-N 431.581 1.747 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CN2CCOCC2)C1 1705762425 YFZMKWVABWUCAS-SQNIBIBYSA-N 425.961 1.913 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1705792362 RPYMXPUQHQBAOJ-BEFAXECRSA-N 440.545 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705896786 XZIXWCKZJCOJGD-QGZVFWFLSA-N 439.476 1.357 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705900335 ZBRRIPNALDYQEX-UHFFFAOYSA-N 437.464 1.589 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705904088 FITGQNXUUNKQJR-UHFFFAOYSA-N 428.585 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705934808 YCZHJDNACSGYTD-SJORKVTESA-N 437.566 1.083 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccncc1Cl 1706870340 AHXOCQQNDZGISN-BDJLRTHQSA-N 427.893 1.427 30 10 IDEE COCC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712271158 VGDUUFIZYZNYRV-OSCRUYLVSA-N 430.509 1.171 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccc(F)cc2)CCO1 1712885104 YWKZODCGTMWGOJ-MAUKXSAKSA-N 449.508 1.517 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722316967 PHAPHDPHDAEANG-NVXWUHKLSA-N 434.566 1.024 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC)C1 1722392589 IYFGJXGVJYEIER-LJQANCHMSA-N 429.532 1.726 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1722403351 YOSLUTLNQOYJFB-GOSISDBHSA-N 444.605 1.796 30 10 IDEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722483480 ALJKNFUWKJVQBP-CQSZACIVSA-N 431.294 1.001 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1722608429 DBZCSDGWGUNXKQ-INIZCTEOSA-N 437.570 1.473 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1722676662 HJLROJWFVJSLQY-LAUBAEHRSA-N 449.577 1.075 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1722699793 YQKQAXGKROUPEQ-BBWFWOEESA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCC(=O)N1 1722737047 RASYGKIXDCBHRO-INIZCTEOSA-N 433.538 1.570 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1723559836 GTZXRNIIXHSJMZ-GOSISDBHSA-N 444.561 1.892 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1723642058 DBQQEHYBFYZWKN-OAHLLOKOSA-N 433.310 1.961 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1727422805 GPWZDLYEEJNARN-KRWDZBQOSA-N 433.534 1.583 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1728672486 GIOGLYPJUAKKGB-LJQANCHMSA-N 439.520 1.474 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729308190 FFSTTXWRWXPXIZ-UHFFFAOYSA-N 434.479 1.766 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1729725076 YWYDSYLXISNVNB-UHFFFAOYSA-N 442.520 1.700 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@@H](C)O1 1730591665 DVSHLPJVKBBUTA-UZLBHIALSA-N 436.520 1.818 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H]1OC 1730993257 BUXBHAPWIJFKBE-HDICACEKSA-N 428.493 1.057 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740574944 MOUHQNJCRQWKII-SFHVURJKSA-N 426.546 1.943 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1740599180 SFRUCDOZQRGEDM-UHFFFAOYSA-N 440.895 1.142 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740619837 ADIXJNVLXYECEZ-QGZVFWFLSA-N 431.562 1.727 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1740621317 LNQCALVNJAKYPA-MRXNPFEDSA-N 445.545 1.059 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740624009 CAGMNUXIQJHLFC-VQTJNVASSA-N 442.589 1.231 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1740702393 NLTJSSHNHIYIMI-LJQANCHMSA-N 443.640 1.567 30 10 IDEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1741003913 IRTAUTMPEREYFN-UHFFFAOYSA-N 445.597 1.265 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1747971669 NKARTAQRGNUWSN-HXUWFJFHSA-N 426.521 1.391 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1748735372 QGJMCHSBKWJCRV-UHFFFAOYSA-N 441.355 1.531 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1748771966 QPWVSWLPFQYFDQ-VXKWHMMOSA-N 449.621 1.596 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748805913 YJHXQEMLJAKCPV-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1748818010 UOCMAEXLPQXPEN-ROUUACIJSA-N 436.578 1.616 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1748964630 LCWIDCACSIMDTD-GOSISDBHSA-N 434.518 1.311 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](F)COC)CC1 1748971666 YLXRWMZNYDXNMK-GOSISDBHSA-N 428.512 1.887 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2COc3ccccc3O2)CC1 1748979201 XQJQFWMAKPAWGG-OALUTQOASA-N 441.532 1.597 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC=C)CC1 1749006395 MNSVVRPTRULDDO-UHFFFAOYSA-N 441.923 1.262 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749034302 ZDPCWGGHICZACG-SFHVURJKSA-N 438.557 1.558 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749717092 GQPMOXCNQIPREV-VQIMIIECSA-N 438.575 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CC)C1 1749736712 NOMOHSHEXGEGOQ-GOSISDBHSA-N 444.561 1.733 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750044333 HHEFYPUGAWRPCG-OSCRUYLVSA-N 432.525 1.560 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1750212293 FDCXNBJHHRGXHV-CQSZACIVSA-N 429.506 1.552 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1760190337 ZVVVVGVHNUZIAE-CEXWTWQISA-N 437.610 1.385 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1760211630 KTVDGNQXJSMMKX-QPPBQGQZSA-N 443.592 1.750 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1760216642 VVNNOVVCPYKJMB-UHFFFAOYSA-N 438.532 1.580 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1760219672 KRWUXBKXZKIFFC-PMACEKPBSA-N 431.606 1.908 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1760440076 BGFTWWQGALGBSA-GOSISDBHSA-N 449.581 1.480 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)C)CC1 1760557245 FNGWNOACOQYVLS-UHFFFAOYSA-N 439.582 1.395 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760566054 KCSXENGXFPKGDO-HUUCEWRRSA-N 448.636 1.113 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1C 1761806480 PETRZLFDAXZEJA-IERDGZPVSA-N 425.468 1.868 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1764077202 BJKOWVIXLJBSCR-AWEZNQCLSA-N 434.522 1.333 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CC(=O)N1CCOCC1 1767063526 FEGQKCRQQPNWSA-UHFFFAOYSA-N 431.500 1.631 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCC[C@H]2CO)CCOC1 1767424875 KPQJMPVYTWWRAO-NZQKXSOJSA-N 446.596 1.907 30 10 IDEE CNC(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@](F)(C#N)C1 1767803951 GTESYEFAQSVKCQ-NRFANRHFSA-N 449.531 1.971 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC[C@@H]1C 1769089939 IBDKVPTTZRYKPS-JCGIZDLHSA-N 437.504 1.666 30 10 IDEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770744954 PMSRDWGNWCKAMC-KRWDZBQOSA-N 443.458 1.875 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1770962071 ZKCNUMCNUZMBHJ-WOJBJXKFSA-N 443.504 1.386 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1771273472 RWFOMJMAQZXJNY-UHFFFAOYSA-N 436.520 1.988 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1771367077 KVLUCPPYNCPCLH-INIZCTEOSA-N 443.533 1.018 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 1772790414 CEQSPCGGOZZPEG-MRXNPFEDSA-N 439.449 1.744 30 10 IDEE Cc1ccc(S(=O)(=O)Cc2nn3c(c2C(=O)N2CCO[C@@H](C#N)C2)CCCC3)cc1 1848501878 RDJYUZVKMBJYOY-INIZCTEOSA-N 428.514 1.866 30 10 IDEE C#CC[C@@H](F)C(=O)N(CCN1CCOCC1)c1nc2ccc(S(C)(=O)=O)cc2s1 1849091943 IMLOLBRRJPNTQD-OAHLLOKOSA-N 439.534 1.726 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc5c4CCCC5)C3)CC2)n1 1853388540 KPQXGYCXUKDLRO-SFHVURJKSA-N 430.512 1.929 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H](C)n2cncn2)CC1 1855573207 VQVVKFCRORDESW-HNNXBMFYSA-N 429.502 1.686 30 10 IDEE CC(C)(C)CC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855830637 ZTKBJMUHNMWPHN-KRWDZBQOSA-N 432.546 1.428 30 10 IDEE CC(C)n1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)cn1 1856278729 TWISUPWLKNENPQ-KRWDZBQOSA-N 426.546 1.956 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)CC1=O 1856805408 PKBJNZSNHFIGFV-QZTJIDSGSA-N 436.530 1.802 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2nccc(Cl)c2F)C1=O 1857147046 LZAAOZNDIFVXTB-AWEZNQCLSA-N 429.843 1.097 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCCCCCO 1870355915 GNPVATXIFBNQLT-UHFFFAOYSA-N 435.565 1.452 30 10 IDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1=O 1870563482 CUIJXFCZOZYQLQ-JXMROGBWSA-N 448.567 1.827 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN(CC)CCc1ccncc1 1870581748 AKHNBQFRNCIWJE-UHFFFAOYSA-N 440.544 1.732 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2cc(CO)oc2Br)CCN1Cc1ccccc1 2101587027 QWVKPASYKGHEIP-AWEZNQCLSA-N 440.319 1.933 30 10 IDEE CN(C(=O)OCc1ccccc1)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243384563 RULVQMSUWWKNGO-UHFFFAOYSA-N 440.309 1.802 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247905050 FGGVFNZEJXUAPJ-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)[C@H](O)C1 2247917679 DOCWSPWYCGPAIE-QWHCGFSZSA-N 439.343 1.152 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOCCN1C(=O)OC(C)(C)C 2255649357 SGYZNDZOFZERRY-UHFFFAOYSA-N 436.318 1.344 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)n1 2255655752 QMSIXHZBZHRTDQ-ZFWWWQNUSA-N 434.346 1.752 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2255823490 VJHXGQRWRMUQFN-UONOGXRCSA-N 434.346 1.610 30 10 IDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255830895 MIWYLIYXTLXSNJ-CHWSQXEVSA-N 432.330 1.646 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255838550 HUQWSVYBLLKJBK-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2267882674 WAFNTJOBYSVUJS-KKUMJFAQSA-N 444.341 1.904 30 10 IDEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1F 2296611974 CYLFXSRXESBYLJ-FQEVSTJZSA-N 441.459 1.983 30 10 IDEE COC(=O)c1ccc([C@@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN(C)C)cc1 2296612496 QJQRNPDASKSOER-GOSISDBHSA-N 426.473 1.796 30 10 IDEE CC1(C)OB(c2sncc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2315684773 OWJIUANFVJGLPS-UHFFFAOYSA-N 445.350 1.759 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2C1=O 2332198246 YRNMHBRJXCGHEM-UHFFFAOYSA-N 443.379 1.925 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)n1C 2337191177 WGFMXDXQDRDKPI-INIZCTEOSA-N 443.309 1.428 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2337205635 CJQHSUDOPGYKLC-ZNMIVQPWSA-N 446.357 1.847 30 10 IDEE C=CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 410072014 KKAHSJFGPKGWFW-LBPRGKRZSA-N 437.381 1.965 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CCC1 430986814 IDRQJJZXXCPMHN-UHFFFAOYSA-N 433.537 1.850 30 10 IDEE COC(=O)[C@@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccn(C)n1 470743187 BXFOOUSJEZSCRD-KRWDZBQOSA-N 438.444 1.787 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508953030 STCKDXCSPCBQKV-UHFFFAOYSA-N 438.579 1.438 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@@H]1CCCO1 516679003 JGHIEEQFSUOHRY-KRWDZBQOSA-N 443.544 1.956 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 554727057 YEMANXVWWRKFPJ-UHFFFAOYSA-N 443.525 1.868 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 588868969 JIBXGMLQCWOSDM-UHFFFAOYSA-N 433.452 1.824 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 603787698 DCSVQCVRZAAIPF-UHFFFAOYSA-N 433.533 1.945 30 10 IDEE C=CCOCCNC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 611548239 NGMIOIWIHRFDCV-UHFFFAOYSA-N 432.214 1.335 30 10 IDEE C#CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@H]1CCS(=O)(=O)C1 729331166 KDBQVXQMTBAGMP-INIZCTEOSA-N 429.464 1.966 30 10 IDEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)S/C2=N\CCc2ccccn2)no1 730144288 JFTBGRIJFVQGQR-YQMDHOPXSA-N 444.561 1.489 30 10 IDEE COc1cccc(OC)c1OC1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465099 CBJOOEXABVYNFH-XUTLUUPISA-N 444.488 1.783 30 10 IDEE C[C@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732665932 AVDWJMTTZJFBQF-VGOFRKELSA-N 425.489 1.288 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 733890424 FPSPFJUWMWRLHJ-SGRLSNSRSA-N 432.908 1.746 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 749529193 FNXABGLZZCTWKJ-UHFFFAOYSA-N 440.525 1.824 30 10 IDEE C[C@H](NCCN/C(O)=C1\N=CC=CC1=O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 753966088 GUUXMKROIMTLNU-FSERAHIGSA-N 428.489 1.529 30 10 IDEE C[C@@]12CCC(=O)N1[C@@H](C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)CS2 754772361 DEHGLOOEQDKUEM-IUODEOHRSA-N 444.332 1.580 30 10 IDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-n2ccnn2)cc1 756127729 RYCFMDKHBNSZPT-OAHLLOKOSA-N 438.513 1.963 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)COc1ccccc1Br 766158986 HBJBJKCVXOVKBV-GHXQLAGASA-N 438.278 1.222 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(C[C@H]3CCCO3)c2=O)cn1 772280034 UFFQTPZMJKGKEE-QGZVFWFLSA-N 438.484 1.347 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 783138384 WXPDSDZEBUWZOQ-UHFFFAOYSA-N 439.490 1.398 30 10 IDEE C=CC[C@]1(C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 784942334 IYGONZPBYDAZPT-QEEYODRMSA-N 444.550 1.567 30 10 IDEE COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 790354202 CLKFAOKKYRVYHZ-UHFFFAOYSA-N 436.537 1.860 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 794610050 WBWIMAVRTYINBB-OAHLLOKOSA-N 448.529 1.726 30 10 IDEE CC1(C#N)CN(C(=O)C[C@]2(C(=O)N3CC(C)(C#N)C3)CCN(C(=O)OC(C)(C)C)C2)C1 797761635 MWLDMEKVMVCITR-JOCHJYFZSA-N 429.521 1.748 30 10 IDEE C[C@@H](C(=O)OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 798741524 SCWYUGVFZGEILD-ZDUSSCGKSA-N 436.394 1.622 30 10 IDEE N#CCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 816291432 VYFHLIPKJCVXFU-RQZCQDPDSA-N 430.530 1.284 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3C#N)n[nH]2)cn1 1084515950 SSIOCRXSHWWBQK-UHFFFAOYSA-N 425.478 1.696 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(OC)c3)CC2)c1 1124602400 NEJBRFNBTFFKSL-UHFFFAOYSA-N 449.510 1.562 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)C1 1136517206 UMKSQQFJFNHTRY-AWEZNQCLSA-N 448.365 1.461 30 10 IDEE CC(C)C[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCCN(C)C 1137984943 WOPXRGANQYYAEI-IBGZPJMESA-N 436.597 1.846 30 10 IDEE C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157884568 IWSBBBNMHFAWCY-ZYKCCNLVSA-N 427.523 1.144 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCN(c2cccc(F)c2F)CC1)c1cc[nH]n1 1158545665 JVRLKDUAFBYTIZ-UHFFFAOYSA-N 435.431 1.711 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 1160050935 LBLIIWXKGJLRIY-FOCLMDBBSA-N 431.392 1.513 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1 1175252009 ZNAUUXBRCNHKNT-ZEQRLZLVSA-N 449.511 1.898 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@H]1CCCO1 1286282452 MUNNFNKTXOISKE-YLJYHZDGSA-N 436.520 1.964 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1286348878 PMOOJUMQUADJIP-UHFFFAOYSA-N 433.516 1.790 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286349940 RBEMTUHYHGFPHV-MRXNPFEDSA-N 432.550 1.843 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286398899 SRKYRAHTUVFGDI-BRWVUGGUSA-N 436.578 1.348 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286406376 XNDSVDQCYXJMLZ-KRWDZBQOSA-N 427.530 1.308 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cc[nH]n1 1286516041 VAZFLWUWFPGOCL-FGZHOGPDSA-N 441.536 1.464 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 1286601547 MDIMRJDDMYLNQM-UHFFFAOYSA-N 428.541 1.615 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1286726204 BNDJNBPNVYSVLW-INIZCTEOSA-N 438.575 1.449 30 10 IDEE CSC1([C@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 1288172898 FAMBCTOEYOKSSS-HNNXBMFYSA-N 426.564 1.938 30 10 IDEE Cc1nc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCC(=O)N(C)C)CCO2)no1 1290381776 DGDGIYYEDQEBPT-KRWDZBQOSA-N 436.476 1.564 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1296223772 ARUJPSCDOGMSEO-CQSZACIVSA-N 439.586 1.181 30 10 IDEE CN1C[C@](C)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1=O 1298873014 BQCQUXPEJVEHHS-HSZRJFAPSA-N 436.564 1.938 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1ncccc1F 1300287148 UZDHDHCKADCDRU-HNNXBMFYSA-N 433.451 1.992 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300447147 YVLVFOMIJHTICJ-OAHLLOKOSA-N 437.508 1.903 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1300528511 XHHGPUWHSRSSRP-UHFFFAOYSA-N 441.499 1.486 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1300556268 GMBPMLCNQZIMES-OALUTQOASA-N 442.589 1.876 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1300586612 GDHWGHVCLFKOIS-UHFFFAOYSA-N 436.535 1.635 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(C)(=O)=O 1300658114 WZZYHLNWCOLUAK-UHFFFAOYSA-N 442.545 1.437 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCN(CC)CC1 1300665122 IPIPBVNTYLIKSJ-FQEVSTJZSA-N 435.576 1.929 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1300885628 RHVDLMXYHTZMAL-IKGGRYGDSA-N 425.555 1.192 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301576892 BVRMMLKRJUBAAM-JKSUJKDBSA-N 438.525 1.925 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1301951548 AZNYOXDCYGTCRF-LSDHHAIUSA-N 444.565 1.993 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1301991041 UJNWPVHIRMDERA-VVWQDTPRSA-N 447.561 1.614 30 10 IDEE CN(C)CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1302295955 WMAXIWSSMJPVOB-OAHLLOKOSA-N 442.379 1.531 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCn3ncc(Br)c3C2)c1 1309683860 KBGMJUSTTNTTPA-UHFFFAOYSA-N 425.308 1.766 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 1312487115 VOFIOALTOPWCHF-DDPYSOHJSA-N 440.500 1.854 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1313925921 BXLHUZDRLRIMER-RBBKRZOGSA-N 437.592 1.818 30 10 IDEE CNC(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315051421 DREUNSXHIBTLIV-INIZCTEOSA-N 437.552 1.524 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1358871690 JBUJKSXBDVELBA-NEPJUHHUSA-N 428.465 1.391 30 10 IDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358931881 RFWWBUWCVSKHRO-SFHVURJKSA-N 431.562 1.809 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCCC2)cc1 1358938356 YWWAKYBPWJNGOA-GOSISDBHSA-N 444.605 1.992 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1358975930 JSGLTMASORIRFV-JOCHJYFZSA-N 429.528 1.366 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1359009914 BMPYKXLNLQLKDU-LJQANCHMSA-N 431.562 1.622 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359055922 SHTZUJGJULOMJF-UTKZUKDTSA-N 429.521 1.833 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1359230674 BJTCURQRXLETBS-ZDUSSCGKSA-N 430.575 1.814 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)N1CCCC1 1359240519 QDFKDQUUNOUCCD-DLBZAZTESA-N 426.587 1.108 30 10 IDEE C#CC[C@]1(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CCCN1C(=O)OC(C)(C)C 1453691103 OJPIVVZYHHHCHV-DHIUTWEWSA-N 449.548 1.256 30 10 IDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(C#N)cc1I 1462863129 LQPPBPQQFZEHPY-UHFFFAOYSA-N 442.238 1.917 30 10 IDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1470367063 TXVBLZOOXRAYOW-UHFFFAOYSA-N 436.530 1.091 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2nc(C#N)cs2)cc1 1472144780 RWJHTRJIGPROKZ-WBVHZDCISA-N 434.543 1.578 30 10 IDEE N#Cc1c2c(cn(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c1=O)CCCC2 1473037020 HNXXDINPHFQHIF-UHFFFAOYSA-N 440.525 1.132 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1505321900 FZQLIXPRAHXWDH-GJZGRUSLSA-N 436.925 1.690 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836248 CNYWYTZQZGTJCK-HSZRJFAPSA-N 446.596 1.641 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507850534 NFJDWLBYIXSAQS-OAHLLOKOSA-N 445.973 1.297 30 10 IDEE C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507950799 YZRFLJVWAUDVFU-CQSZACIVSA-N 430.459 1.260 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1508006925 YKVKHUARWGXKNI-NRFANRHFSA-N 430.578 1.835 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccn2)CC1 1508141132 LKVOJNTXDSCLDN-UHFFFAOYSA-N 431.566 1.653 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1509753350 AHZWFFNJKUALLS-UHFFFAOYSA-N 439.520 1.345 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1512552710 IADCXRRRKRKYPX-IAGOWNOFSA-N 446.577 1.407 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3cnccn3)CC2)n1Cc1ccc(C#N)o1 1513398808 ZJBCTPUQMGMBGE-UHFFFAOYSA-N 449.519 1.826 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)Cc1cccc(F)c1 1513871149 MWCLMUBOLACIKL-UHFFFAOYSA-N 449.490 1.873 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1OC 1536346559 OUDVTXNEPAKAMW-LSDHHAIUSA-N 432.477 1.462 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC2CC2)nc1 1538974030 QRSLLUPOVPEMFX-CABCVRRESA-N 432.550 1.578 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)CCOC 1539154576 QIKGRYAAGBQPAU-UHFFFAOYSA-N 433.582 1.194 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1539266407 QAXAIXHBAWSSEP-QHCPKHFHSA-N 435.532 1.330 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)C2CCCC2)CC1 1539428291 OXAXWSYVTVHGCM-UHFFFAOYSA-N 436.564 1.555 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCN1CCCS1(=O)=O 1539539342 SUOMCXIJWMMFEY-VQIMIIECSA-N 425.555 1.030 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1539865682 NUADSXORZYUPRI-GOSISDBHSA-N 438.569 1.239 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](COC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540876390 PRFGPLXRMSSZKC-YESZJQIVSA-N 448.568 1.824 30 10 IDEE C=CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1543487410 SDYKLDFORXEGJS-WBVHZDCISA-N 445.582 1.244 30 10 IDEE CN(C)C(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1552723972 BMXUKPDBMWWGQI-XHSDSOJGSA-N 447.540 1.256 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1555716560 ONDSZIMVWYSQLK-MOPGFXCFSA-N 440.504 1.805 30 10 IDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1557095508 PBNBYSXFSYAXNB-INIZCTEOSA-N 449.305 1.037 30 10 IDEE CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccc21 1558463864 AJCBMKFZVDOGMB-GOSISDBHSA-N 425.514 1.992 30 10 IDEE C#CCC1(NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1562081014 HJDDOBNHALJHSO-UHFFFAOYSA-N 437.518 1.410 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)C1CCOCC1 1565105941 NLWZLGZXZYAWEW-QGZVFWFLSA-N 427.473 1.409 30 10 IDEE COc1ccc(C(=O)NCC(=O)N2CCN(c3ccsc3C#N)CC2)cc1[N+](=O)[O-] 1584481982 IIKYYAFOQLJCJU-UHFFFAOYSA-N 429.458 1.615 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1584697917 YWUNYNPDUBVTTO-ZDUSSCGKSA-N 426.905 1.576 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1587561345 CYTCHGGIRWQEFC-LSDHHAIUSA-N 432.550 1.144 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 1588260915 BVGUEMSAXUNZLR-INIZCTEOSA-N 433.306 1.525 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(COC)CCCC2)CC1 1588733217 PHLCMKYKEYDNEZ-UHFFFAOYSA-N 428.581 1.866 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1588877319 ZNMOACRPKXIVNS-ANULTFPQSA-N 431.581 1.963 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589404096 HBBUHUTWRVRRQB-GJZGRUSLSA-N 428.331 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595496846 ISUYDKDSDVQEQP-IAGOWNOFSA-N 443.460 1.379 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595556552 XPKYKRNBKMNTGO-QZTJIDSGSA-N 426.496 1.558 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](C(=O)NC)C1 1595595034 QLIBTKCYPUOMNH-SFHVURJKSA-N 440.548 1.684 30 10 IDEE Cc1cc(C(=O)Nc2cccc(C#N)c2Br)nc2c1c(=O)n(C)c(=O)n2C 1598029137 FPWZCGUHIHTQTR-UHFFFAOYSA-N 428.246 1.827 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1610981986 UYCWMLSXLRIQOX-OZNQOIHVSA-N 446.552 1.732 30 10 IDEE C[C@@H]1COCCN1CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1613013264 VWBZDBXDQSOZLN-OAHLLOKOSA-N 425.537 1.831 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613281675 GUQXQYXNSWYFSF-AXPPELJESA-N 429.525 1.423 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2nsnc2c1 1613594238 DURSUJLDDFKWQL-OAHLLOKOSA-N 440.533 1.978 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1)[C@@H]1CCOC1 1617782410 UZDLIKXURNRHBY-LJQANCHMSA-N 426.521 1.676 30 10 IDEE COCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619846966 GKGAFCWJHCCLGA-IAGOWNOFSA-N 426.525 1.585 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C[C@H]1OC 1620145003 CAISFFDPQAKNRS-KDURUIRLSA-N 428.562 1.716 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)C1 1625522921 DGAZPEDWHSTTIL-KMFGOTIKSA-N 440.566 1.313 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)s1 1631304302 GHPUYAFYNQMHBN-UHFFFAOYSA-N 427.592 1.908 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCCCc2ccccc21 1636519169 BFIMZGNPNMLSAV-MRXNPFEDSA-N 440.525 1.711 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@H](C)C1 1637460966 PREHFCPMNYFYAB-GRJHGRLYSA-N 448.564 1.869 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331003 INZLHHLROVUEML-INIZCTEOSA-N 429.521 1.634 30 10 IDEE C#CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)C(=O)OC 1638826044 GYVQYFOCFCWHEQ-DLBZAZTESA-N 434.290 1.659 30 10 IDEE COC(=O)c1cccc2c1CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1642114245 PCQCZNCSANGLTJ-UHFFFAOYSA-N 441.509 1.877 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1642892993 NEDPMGBMNKGRDL-OAQYLSRUSA-N 441.553 1.537 30 10 IDEE COc1ccc(NC(=O)Cn2cc(C#N)c3ccccc3c2=O)cc1S(=O)(=O)N(C)C 1644100402 GAMQWPKMWVZRHY-UHFFFAOYSA-N 440.481 1.771 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC2CCN(C(=O)C(C)(C)C)CC2)c1=O 1644133542 BLBHDRAPFYGQLW-UHFFFAOYSA-N 432.521 1.508 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2CC(=O)Nc2cc(Cl)ccc2C#N)C1 1644382210 NTDDZXLCQJDSIP-UHFFFAOYSA-N 433.896 1.571 30 10 IDEE CCCCn1c(N)c(N(C(=O)CN2CCO[C@](C)(C#N)C2)C2CCCC2)c(O)nc1=O 1648463306 OVDQIMVPSGQWCV-OAQYLSRUSA-N 432.525 1.221 30 10 IDEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NS(=O)(=O)N(C)[C@H](C)CC#N)CC1 1655405241 FYMUYQKIWNWLEQ-CVEARBPZSA-N 442.607 1.684 30 10 IDEE CCOP(=O)(OCC)[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1657749408 DTBWSORRCOFSKN-KRWDZBQOSA-N 431.451 1.449 30 10 IDEE N#C[C@@]12CN([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1660309643 IJKVDKPICCKZCT-AXHNFQJDSA-N 425.457 1.654 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)c1ccccc1 1682352518 OFWBGACZSUMXRI-LJQANCHMSA-N 438.509 1.572 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689988549 RQOQZKOJWUJGIL-MOPGFXCFSA-N 445.593 1.180 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1690043762 MVTYMQPQOSKYBF-UHFFFAOYSA-N 438.532 1.316 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@]2(C)CN(C)C2=O)n1 1690109024 DACNANDHAGFWSP-QFIPXVFZSA-N 425.537 1.507 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690119875 WFFWKZZXVZNSSG-GOSISDBHSA-N 440.523 1.334 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1690174379 BVJCHZVJSFGOHS-KRWDZBQOSA-N 439.607 1.380 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCC(F)(F)F 1690216135 KLDOVBJIJUEWRF-DHSIGJKJSA-N 429.443 1.673 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690451399 FWFRLVMPEVKLDP-LSDHHAIUSA-N 433.600 1.258 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1692561498 GVLDWMNAYJVNMI-SFHVURJKSA-N 436.520 1.382 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1692584090 KTLQCBDBQSPCTK-MSOLQXFVSA-N 430.431 1.142 30 10 IDEE Cc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c1 1693169362 AZDTXWFZCWOZGM-UHFFFAOYSA-N 435.532 1.879 30 10 IDEE CN1C[C@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1696873378 DZHKOMXXOXWKRU-HSZRJFAPSA-N 444.499 1.912 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)c1 1697523449 XHMCMEMPWCOJJL-FPOVZHCZSA-N 440.548 1.919 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC(C)C 1705546525 KVKUQOBLUZLXGU-UHFFFAOYSA-N 431.566 1.531 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCc3nccn3C2)CC1 1705631899 DFKDUQPGJCFQOD-GOSISDBHSA-N 438.580 1.411 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(O)(CC)CC)CC1 1705645044 JTTRBNLEQGWXLT-HSZRJFAPSA-N 447.580 1.447 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705744699 MEQPWXYJPCPYHK-MAUKXSAKSA-N 449.987 1.255 30 10 IDEE C=C(Cl)Cn1c(N2CCN([C@H](C)C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1705760170 BUOYPXZTADNFLC-MRXNPFEDSA-N 426.993 1.991 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1)C1CC1 1705849175 FRKLYBRFVLMXBB-HNNXBMFYSA-N 442.549 1.672 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705902477 FTAKHOBIFMEHGE-AOMKIAJQSA-N 429.496 1.711 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705907063 YQTRWIVDICIABU-PBHICJAKSA-N 444.923 1.528 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1705948330 PGYOYIBYZSIKIP-UHFFFAOYSA-N 432.594 1.768 30 10 IDEE CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706436272 CDBYIWWHWOOIRY-NVHPEQRVSA-N 441.536 1.628 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1711028770 ZPSOHIMMZIULHQ-HOTGVXAUSA-N 437.472 1.864 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1711153133 JPJKMHOIACYOOY-MEUCICPISA-N 425.493 1.662 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1722324086 KJPVMYRBKXJBLJ-HUUCEWRRSA-N 440.570 1.405 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CCCCC1 1722371293 UPCFIEYXAYXYTP-UHFFFAOYSA-N 426.565 1.524 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)nn1C 1722379269 NKIIDXQWYKVFRU-UHFFFAOYSA-N 436.545 1.401 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722456983 LOURTYVIQXHRST-OAHLLOKOSA-N 434.543 1.664 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722626263 ASONJWATISNAFN-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722701652 YZKATKXNBIORDU-FDDCHVKYSA-N 425.533 1.750 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1728294243 QMMZMUNUXOGHBZ-UTKZUKDTSA-N 442.545 1.308 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)C1 1729637158 FAXMVEQCJQFQGS-DNVFCKCGSA-N 438.532 1.831 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1740624913 MUNOTNGDTGXEKB-QGZVFWFLSA-N 447.586 1.083 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCCNC(=O)OC(C)(C)C 1740642590 YEXNKNVOZHQZGT-UHFFFAOYSA-N 428.537 1.778 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1740655403 AVOGQTHWVWRQCC-HUUCEWRRSA-N 432.468 1.611 30 10 IDEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740658133 HCBHWUHOFMFSEO-QHCPKHFHSA-N 440.569 1.466 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCCCC2)CC1 1740698654 JFARFZKLXBENKU-UHFFFAOYSA-N 428.581 1.895 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740710051 PMASDGQCOIQKMK-FVJLSDCUSA-N 433.578 1.653 30 10 IDEE C=C(C)Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740786021 MTGFSBDVAVQPHZ-QFIPXVFZSA-N 441.536 1.327 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740791717 BBONFKTXUFWQGX-QGZVFWFLSA-N 444.536 1.903 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740793336 RDCHMPGMVKCLAW-DYESRHJHSA-N 429.525 1.307 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOCCS(C)(=O)=O)CC1 1740824633 PTVCKRWSYKNAFO-HXUWFJFHSA-N 442.582 1.536 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(OC)c2)CC1 1740955795 GUPGGUXHFAHTHQ-UHFFFAOYSA-N 433.516 1.978 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741268922 BCUSOYWGBMSXQD-ISLYRVAYSA-N 443.552 1.407 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1741802070 FKTLLAPIIYVPQF-HOTGVXAUSA-N 440.570 1.166 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1745711331 AGMXICHXBGUQRE-QKLQHJQFSA-N 438.573 1.887 30 10 IDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748483074 FMNLUQXSFAUMHK-CZIZESTLSA-N 433.472 1.568 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1ccnc1C 1748841304 XYGYORFGPLZHBG-UHFFFAOYSA-N 436.545 1.516 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1748971154 FMRKZZRKFMSTFL-UHFFFAOYSA-N 435.532 1.276 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1748998999 FGHNJQZEOVWHRU-IFMALSPDSA-N 439.560 1.972 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccco2)CC1 1749018823 GCMXOFRTAOIKHE-VGSWGCGISA-N 427.505 1.596 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749046556 BEEDFLPBPBTLGN-QGZVFWFLSA-N 437.529 1.309 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749676335 MRYVRZYZWZYTAP-IPMKNSEASA-N 425.533 1.898 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(OC)CCOC2)C1 1749697696 MQDIZQJRIMEPNN-COPCDDAFSA-N 436.553 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1749727484 VRFRKRBYLOIVTE-SFHVURJKSA-N 447.561 1.659 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749728600 QMGYYSARWFUVHZ-UHFFFAOYSA-N 428.493 1.060 30 10 IDEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749746465 FFQLIBYQSFKOEA-UHFFFAOYSA-N 442.998 1.994 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CC(=O)NC(C)C 1749806028 FBQWJXAEFSXBFW-IBGZPJMESA-N 426.521 1.831 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1749821566 DNUGGNOBXKECDO-UHFFFAOYSA-N 449.519 1.714 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1760160434 DDOSNQIMZPPJOD-XUTLUUPISA-N 447.499 1.743 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CCCO1 1760200352 FFBDSWINHGFWAP-OAQYLSRUSA-N 426.546 1.880 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1760211633 KTVDGNQXJSMMKX-XUZZJYLKSA-N 443.592 1.750 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760246308 OHWSAOPGFWNLCV-INIZCTEOSA-N 435.525 1.452 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCC1 1760248553 BLGMUHZJTHKCBH-UHFFFAOYSA-N 438.580 1.634 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760308060 XGVMQHWGTMUAPL-BZNIZROVSA-N 425.287 1.169 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1760557624 RNTFWSPRYBZRIF-MRXNPFEDSA-N 431.518 1.555 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)S(C)(=O)=O 1760700318 FSSVULBVNGVVGP-JKIFEVAISA-N 430.534 1.353 30 10 IDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)OC 1764230288 FFRVVPPMRFTAST-ROUUACIJSA-N 437.504 1.714 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1766993601 AYGGMRZZJUMDRR-DYESRHJHSA-N 445.545 1.921 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1768164187 YMEGOCLCXTUWNR-UHFFFAOYSA-N 426.477 1.844 30 10 IDEE COc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1O 1768688236 HQTKUGJLDVKVRQ-HTAPYJJXSA-N 443.504 1.810 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1768800496 AUXMGPIZDJIKFU-YLEKHRKWSA-N 430.509 1.519 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1770160161 SRLFKECYYXVVIF-UHFFFAOYSA-N 436.520 1.988 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1770317550 UXYUOAPDONQLCO-SFHVURJKSA-N 449.602 1.946 30 10 IDEE COc1ccccc1OCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O 1770511515 FMUCGYCVGNUVNZ-HXUWFJFHSA-N 448.549 1.545 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)cc1 1770738923 STLFLEDQLVQLAL-GHTZIAJQSA-N 426.452 1.976 30 10 IDEE COCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771052635 CGUQMSRIUXGLSA-QGZVFWFLSA-N 433.520 1.677 30 10 IDEE COCCN(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771076689 OQQFSWSRPHFUTE-ICSRJNTNSA-N 431.585 1.317 30 10 IDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)(F)F)CC2)o1 1771533681 VHDQABQJCVZIDG-UHFFFAOYSA-N 437.426 1.598 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C(=O)C2)C1 1853610753 ITSRUAODVNUTBO-SFHVURJKSA-N 437.537 1.311 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1=O 1854958720 FQFAWMOSXHLPJI-SFHVURJKSA-N 439.965 1.881 30 10 IDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@H]2COc3ccccc3C2)c2ccccc21 1856927888 PNQNSSKQSSIWGK-MRXNPFEDSA-N 425.466 1.861 30 10 IDEE CN(C(=O)CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1C#N 1858018650 IESISQOBTHQLME-UHFFFAOYSA-N 440.481 1.543 30 10 IDEE O=C([C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CC(O)C1 1869927771 AHWPAUZLJVBJCY-KRWDZBQOSA-N 431.539 1.230 30 10 IDEE C=C(C)CN(CC)C(=O)CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882515118 SXNMANRJBAGAGW-INIZCTEOSA-N 426.491 1.205 30 10 IDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCN2CCOCC2)c1C 1889801276 XDXMGVQLKMZYMM-OAQYLSRUSA-N 447.601 1.525 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)COC[C@H]1NC(=O)OC(C)(C)C 1904342726 ADYXSDGYOWLQFQ-VLIAUNLRSA-N 429.514 1.794 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987532720 MWOBJNLZHBFJDH-JYJNAYRXSA-N 425.526 1.780 30 10 IDEE Cc1cnc(O[C@@]2(C(N)=O)CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2232299265 GUMVJZQHAOQLNE-QFIPXVFZSA-N 447.341 1.933 30 10 IDEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248439500 AHXQCGWXRZFLJY-MNOVXSKESA-N 442.347 1.126 30 10 IDEE Cn1ncc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255545927 XVNBOJJDPJOZFP-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2255648320 BLMLUWVMTFMZPC-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2255657668 SIUOUULYBRAFPD-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255694648 RCUZJFXLKTXPER-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255694649 RCUZJFXLKTXPER-ZDUSSCGKSA-N 435.334 1.196 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2256062151 QRBHLEOPGLDZOT-ZIAGYGMSSA-N 430.314 1.610 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267119767 ZZYVTOREDDFHAK-WMZOPIPTSA-N 439.369 1.755 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2267288732 GJXGDJATPRIUGO-OAHLLOKOSA-N 449.357 1.860 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267520472 NDUGJGDACBIEEZ-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267588129 ICPLTYPOHKCOBI-DOTOQJQBSA-N 447.341 1.650 30 10 IDEE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267602358 LJUQIEMGQAYJIA-SJORKVTESA-N 439.369 1.849 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCC12OCCO2 2267704896 UJBHGBYRBUECDV-CQSZACIVSA-N 429.369 1.930 30 10 IDEE C=CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(S(C)(=O)=O)ccc21 44360604 GCNXVOUFYOYZBA-IAFNSTAXSA-N 443.572 1.144 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)cc3)n2N)cn1 59914015 TUEQNMSBQQFTAC-AWQFTUOYSA-N 430.494 1.264 30 10 IDEE COc1cccc(N2C[C@@H](C(=O)NCC#Cc3ccc(N4CCNC4=O)cc3)CC2=O)c1 96351098 ZCJOHEXCVOKAIR-SFHVURJKSA-N 432.480 1.746 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 109935165 VJWDBMNKXBIYQV-MRXNPFEDSA-N 441.513 1.653 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)cc1 219943941 HKTKMJANUXPCLB-MRXNPFEDSA-N 429.502 1.672 30 10 IDEE CCOC(=O)[C@](C)(NCC(=O)NCc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 430276522 CVZIDPGPRHRPBL-JOCHJYFZSA-N 443.525 1.646 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC2(CCOCC2)c2ccccc21 434544723 ZEVAYRIXVRWGEK-UHFFFAOYSA-N 442.479 2.481 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H]3COCC[C@@H]32)CC1 464852044 HSSNPMKEFGDCMX-WMZOPIPTSA-N 425.489 1.956 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3c3ncccn3)CC2)c1C#N 473008287 JLSAAIVDKDVBAV-SXLOBPIMSA-N 434.548 1.877 30 10 IDEE N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 502038940 YIXVITGDVQWLHW-PMACEKPBSA-N 442.516 1.716 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 508943939 AIHSCJMUVVZSET-QGZVFWFLSA-N 448.593 1.538 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCCO1 514329424 BLNCADKQNZAWEP-KRWDZBQOSA-N 427.526 1.127 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 534401811 SQIKUXCGOLCGPU-AWEZNQCLSA-N 447.919 1.663 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@H]1CCCO1 557726371 OQBNIZQAJOJAJL-CYBMUJFWSA-N 433.480 1.396 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)cc1F 588157658 NOXIWEJUZNOVBC-UHFFFAOYSA-N 438.484 1.652 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cc(Br)cn2)CCN1C1CC1 732705938 JIKUVFMTBKAXDZ-OAHLLOKOSA-N 443.305 1.772 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1)c1ccccc1 732795713 UVMKSRVZZBBLQU-SFHVURJKSA-N 435.505 1.848 30 10 IDEE C=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C(=O)OCC 734027208 UGAHYTZKOHXDOI-UHFFFAOYSA-N 439.486 1.536 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742175170 UKTKPRCCGBGQSA-UHFFFAOYSA-N 434.543 1.779 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)cc1C#N 747499187 XHLMVUUJWDNOHF-UHFFFAOYSA-N 442.497 1.571 30 10 IDEE N#C[C@H](C(=O)CN1CCN(Cc2nccn2C(F)F)CC1)c1nc(O)c2ccccc2n1 754862362 BCYKDRBLXAEFJV-OAHLLOKOSA-N 441.442 1.921 30 10 IDEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 758613596 XZCUERPVAZCIRR-VIFPVBQESA-N 425.244 1.293 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 767637637 OVDKPYLDXUHHLB-TZMCWYRMSA-N 447.435 1.569 30 10 IDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 773314827 QCKYFBSJNARBQD-AWEZNQCLSA-N 429.520 1.111 30 10 IDEE Cc1cc(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 780208917 FSZBYSFMUWAKJU-XLIONFOSSA-N 430.482 1.796 30 10 IDEE COc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)c1 784117940 KAVOQHIMCNLJCJ-QGZVFWFLSA-N 428.518 1.977 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC[C@H]2CCOC2)C1=O 784125172 NAHGGTXMMOUSFJ-QFBILLFUSA-N 443.573 1.984 30 10 IDEE CCOc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)c1 786688674 POQGGTXLKQZZRZ-MRXNPFEDSA-N 439.559 1.588 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 790627616 JYQXHEVKGJLOHI-KRWDZBQOSA-N 429.882 1.954 30 10 IDEE C#C[C@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 791066897 LSJUGRKRQKJQCF-MRXNPFEDSA-N 441.575 1.216 30 10 IDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cn1 793466606 AIDNTTIOLGEFFI-UHFFFAOYSA-N 449.536 1.188 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2CCCC3(CC3)S2(=O)=O)c(C#N)cn1CCOC 1125071598 YRGUYJLPAPXTQB-UHFFFAOYSA-N 438.506 1.080 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)c1 1154073039 NNLWDRKVBMBDMC-UHFFFAOYSA-N 441.509 1.674 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1 1194632690 DKVCDGJGTABEHS-KRWDZBQOSA-N 440.591 1.682 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1286395621 SGLMSXIPRAEHFW-SJORKVTESA-N 449.602 1.920 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1286399931 RJFXXJKCWZPCDX-IAGOWNOFSA-N 429.550 1.044 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1286410139 SHMORQJKXAUNPC-AZUAARDMSA-N 437.569 1.704 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1286411084 YPCTXQXTFICXBP-LJQANCHMSA-N 443.548 1.524 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(CC)nn(C)c2OC)CC1 1286474684 JVDZWFLPLMCYAA-UHFFFAOYSA-N 444.543 1.925 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286510204 LMHLJCJVSWENRY-INIZCTEOSA-N 426.550 1.558 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286516731 LEENENWXHXUPND-XAMWDVODSA-N 437.566 1.219 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286560157 CFEJQVGNQHFPEL-CUSZFKRNSA-N 436.582 1.918 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2cc[nH]n2)C1 1286802774 BMWYCEFTRSRBME-OAHLLOKOSA-N 442.911 1.928 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1286968173 OQUNOBBWAUQDPI-BFUOFWGJSA-N 439.488 1.293 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1292525258 QWXGOHYQYAVEAF-ZBKJMMEJSA-N 447.499 1.763 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3c[nH]c(C(=O)N4CCCC4)c3)C2=O)cc1 1296058330 LRHGIDASPBMWCA-QGZVFWFLSA-N 434.456 1.966 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300420035 ZNZICVSLWNYYGV-NRFANRHFSA-N 449.603 1.723 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1300500776 DBMLDQRLFYQQRP-INIZCTEOSA-N 447.586 1.445 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300501943 ONTCGZIWRAZEKW-PBHICJAKSA-N 436.607 1.211 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1303005144 YARVPIWPDCGHEI-ZIAGYGMSSA-N 437.426 1.952 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(NC(C)=O)nc1 1306242446 BXCYUYFEGNDIDZ-IBGZPJMESA-N 444.499 1.933 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 1313496694 QNZFGPOIOFENLZ-HOTGVXAUSA-N 449.556 1.851 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1316044862 DAZXDQBMOWWBLF-UHFFFAOYSA-N 426.477 1.844 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C(N)=O)nc2)cc1 1355381992 BAQDKDIVTAGTDD-NCELDCMTSA-N 443.529 1.955 30 10 IDEE COCCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1357714183 BRUIZJJJJODEFF-KRWDZBQOSA-N 430.534 1.172 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1359000539 YHXLCBZQUHRNCH-QWHCGFSZSA-N 426.568 1.560 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359058008 QADFYUYQQANFID-GOSISDBHSA-N 432.638 1.976 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1 1359090523 CEBUDYOVLGEKNO-OIISXLGYSA-N 427.571 1.078 30 10 IDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359152984 PGXKNFCVIJAVPE-KRWDZBQOSA-N 429.912 1.783 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1359240466 OWEAGSQHNZWEQN-ROUUACIJSA-N 435.550 1.621 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)nc2Sc2ccccc2)CC1 1455114200 BBSVOQWUEREJCS-UHFFFAOYSA-N 430.555 1.767 30 10 IDEE C#CCN(CC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC(C)(C)C 1465809836 ODMIUJVZFXTAFA-UHFFFAOYSA-N 427.445 1.287 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1470936798 USAXGFGKDNMQBT-QFIPXVFZSA-N 433.560 1.601 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1498107476 AJLQGNMCTMGLJU-MOPGFXCFSA-N 427.505 1.954 30 10 IDEE CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1501526833 DRUCJNLYNNCBNJ-LSDHHAIUSA-N 437.522 1.528 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H](C)N2CCCCC2)CCOC1 1502728101 GEWHYGREUWCIQE-WOIUINJBSA-N 432.569 1.923 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c(OC)c1 1504202235 FBMWFDRFYDFYMU-CRAIPNDOSA-N 440.504 1.606 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1504520618 FDTDVXIWCOWQQP-GBESFXJTSA-N 445.545 1.492 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1Cc1ccc(C#N)o1 1504963062 IMSUEBCAGDODKV-OAHLLOKOSA-N 430.509 1.962 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)F)CCN1C1CC1 1505321016 CWLLKDVXCQOPTK-HNNXBMFYSA-N 446.462 1.731 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1507535494 YYLYEUQJIJVWTJ-WAIKUNEKSA-N 436.516 1.938 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507627798 KVJBCYWCNUSCGV-WMZOPIPTSA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507631406 DGZAESFESFYZSP-IBGZPJMESA-N 435.594 1.285 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1507651613 RWKXTCGDAKMFFY-UHFFFAOYSA-N 434.525 1.227 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507670215 ZSLLQRLCACVAFQ-XZOQPEGZSA-N 433.556 1.860 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)n1 1507714518 QBFFECPEWZKLKW-VGOFRKELSA-N 430.553 1.598 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)NCc2ccccc2)CC1 1507724193 KDLZSELKOUOQCN-UHFFFAOYSA-N 443.555 1.726 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507724264 BCWBECKGQYRNRW-UHFFFAOYSA-N 438.557 1.643 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nnc(C)s2)CC1 1507738139 KLOLCBWVTGKUHO-UHFFFAOYSA-N 439.549 1.047 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507836458 LTEBHYKELCLAIN-WMZOPIPTSA-N 441.598 1.829 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507888535 NMUZAGOTIWHSQP-FQEVSTJZSA-N 436.509 1.702 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](C)C1 1508129992 FVCITYWPIABCGV-HUUCEWRRSA-N 433.600 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1508145202 KKOGRQBDECMYEN-OAHLLOKOSA-N 427.571 1.792 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(C1)OCCO2 1517349679 MNHBCLJIPKZFNX-KRWDZBQOSA-N 445.545 1.841 30 10 IDEE N#CC1CCN(c2nnc(COc3ccccc3F)n2CCCn2cc(CO)nn2)CC1 1521120827 AZUMEXCWPHHVGS-UHFFFAOYSA-N 440.483 1.910 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 1528264676 GAUSNMRLMSWIMW-UHFFFAOYSA-N 445.273 1.943 30 10 IDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 1533796929 FVCKFKVYCQBAOI-VQTJNVASSA-N 439.541 1.325 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c2C#N)C1 1533854152 YGJDVPBJMTULMK-UHFFFAOYSA-N 434.518 1.558 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1539012067 DZZCPNKXHWYZKE-HZPDHXFCSA-N 425.518 1.267 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1539116947 OJNRPTOBTQZTTB-NRFANRHFSA-N 435.576 1.901 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1539127855 QZPDINGVUCIYPO-UHFFFAOYSA-N 448.531 1.734 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1539239667 OALFLTZYOAQLOQ-ZWKOTPCHSA-N 428.562 1.486 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1539260322 OLPOBADXBUCNNN-IAGOWNOFSA-N 428.537 1.851 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1539370460 WJECLYNZAKTBKY-GOSISDBHSA-N 429.546 1.346 30 10 IDEE C=CCCOCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540027268 UPLWKESCRWPMSE-OAHLLOKOSA-N 444.923 1.338 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1540866007 ZPOVFHIULVSVSO-UHFFFAOYSA-N 431.504 1.627 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540916258 VBYVNIAPRZKZJJ-HOTGVXAUSA-N 434.566 1.912 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(S(N)(=O)=O)CC3)C2)C1 1542866806 SAEKGDCQZVCYPW-BIWSTMPVSA-N 426.539 1.053 30 10 IDEE Cc1nc(-c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CCO[C@@H](C#N)C3)cc2)n[nH]1 1542888000 DVYKJIFDBIPLKY-KRWDZBQOSA-N 435.492 1.287 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(CS(N)(=O)=O)c3)n[nH]2)c1C 1546229055 WHUMMOAUFDYWMK-UHFFFAOYSA-N 428.518 1.795 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(N(C)C)nc1 1548175082 LSHLTKGJHSWPDT-UHFFFAOYSA-N 447.547 1.917 30 10 IDEE CNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1554488072 YOOOLRBQDUTWOU-UHFFFAOYSA-N 436.545 1.660 30 10 IDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1555573091 LAXKDCMMUDCCHA-KGVIQGDOSA-N 430.553 1.797 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Br)n2)C1 1555985284 MBQYQUSAXMJDMJ-PXAZEXFGSA-N 434.273 1.877 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1557596793 SFQIBGILFCNDAL-UHFFFAOYSA-N 428.514 1.586 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)[C@]4(C#N)CCCOC4)C3)[C@@H]2C1 1558066334 QHGOAGDIZRQUAX-PTDBIEIZSA-N 434.493 1.348 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(=O)N(CCC(F)(F)F)C3)C2=O)cc1 1569215934 ZIOIYSUZWJHONA-AWEZNQCLSA-N 437.378 1.344 30 10 IDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1583308524 SAKFOXBYDQNSJV-UHFFFAOYSA-N 444.507 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1587555316 FEWXOKGIQNEIRG-KRWDZBQOSA-N 438.532 1.887 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C(=O)NC 1587754457 DYKPWBSQVOTZFI-INIZCTEOSA-N 445.593 1.860 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1587754458 DYKPWBSQVOTZFI-MRXNPFEDSA-N 445.593 1.860 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)CC1 1588051267 QQBZAODCOUEIOD-UHFFFAOYSA-N 434.537 1.233 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1588604661 NZJFRVGAEPPHJO-UHFFFAOYSA-N 432.912 1.362 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](SC)C(C)(C)C)CC1 1588811773 MUTAQCUOJXDXFN-DLBZAZTESA-N 439.651 1.713 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2conc2COC)CC1 1588913860 RPSQQCRMIBNXHT-UHFFFAOYSA-N 435.488 1.489 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCO[C@H]2CCOC2)CC1 1588930262 RDIQBSSLHDLRTC-VQTJNVASSA-N 445.564 1.681 30 10 IDEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1593764111 YBTUMLMWMXONJR-IBGZPJMESA-N 429.521 1.709 30 10 IDEE C=CCN(c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1595038319 SWRZJYSXTZQTCV-OAQYLSRUSA-N 448.545 1.667 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1 1595218338 IETMYBBSFVZFSO-QGZVFWFLSA-N 448.549 1.241 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1595251332 RFRGSTNOZVVITF-MRXNPFEDSA-N 430.534 1.941 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595405763 XBEUYNBVFLUZOA-BTYIYWSLSA-N 432.525 1.631 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595556557 XPKYKRNBKMNTGO-ZWKOTPCHSA-N 426.496 1.558 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCNC(=O)CC2)nnc1C1(c2ccccc2)CCC1 1595831044 JNGMVQOAXMVAGW-UHFFFAOYSA-N 443.573 1.675 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1611286084 CYUSNSHLPDUANQ-WBVHZDCISA-N 441.511 1.736 30 10 IDEE CCCN1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1=O 1614868538 JHMLRVIEFZDOSJ-UHFFFAOYSA-N 425.493 1.476 30 10 IDEE CO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C1CC1 1618968145 NVFDWAMTBJMQTN-QGZVFWFLSA-N 425.493 1.376 30 10 IDEE COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1619955122 NVHHCNAKNQJQLV-APWZRJJASA-N 438.532 1.709 30 10 IDEE COCCOC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C)(C#N)CC2)CCOCC1 1620035287 YSDYNYSNFOJXDW-UHFFFAOYSA-N 448.568 1.759 30 10 IDEE C=CCN(CC(=O)OCC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1621708831 VUCUSYSHPCZEDP-MSOLQXFVSA-N 440.518 1.403 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCS(=O)(=O)CCO1 1623604238 BONXSYUGLPBMIP-UHFFFAOYSA-N 433.280 1.287 30 10 IDEE Cn1c(=O)c2ccc(NC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2n(C)c1=O 1627565919 BYDZPWFCOAFSJR-UHFFFAOYSA-N 436.447 1.602 30 10 IDEE Cc1cc(C(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)ncc1C#N 1638977496 UNYJHPBPAOZOLF-QGZVFWFLSA-N 427.505 1.946 30 10 IDEE CCCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nnn1-c1cccc(Cl)c1 1648028868 QFXFQOMOXNKTOY-UHFFFAOYSA-N 439.863 1.704 30 10 IDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 1656956526 HOVQHSUWQGNDEM-LJQANCHMSA-N 446.960 1.875 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)cc1Br 1661889145 IBYLRNQIVBAVSV-ZDUSSCGKSA-N 432.315 1.945 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)OCC 1663611302 PLGWUPPBRDXMCJ-AWEZNQCLSA-N 433.866 1.612 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1666229740 JEHXVNWRJJAZFD-MOPGFXCFSA-N 438.546 1.755 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OCC 1671199115 MAEYXQKLDWSQOB-GFCCVEGCSA-N 447.307 1.956 30 10 IDEE N#Cc1ncn(CCNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1686407276 HHONREJAJRQVJU-OCAPTIKFSA-N 432.275 1.962 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1689929806 FDIQOJHZKJQJHR-QGZVFWFLSA-N 432.550 1.212 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689994018 PMJDVELZZAJUOD-QGZVFWFLSA-N 426.502 1.235 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690207809 MHVNWHWYUHEOBV-NHCUHLMSSA-N 432.521 1.550 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690319679 VHERFIZAXZMRGJ-HXUWFJFHSA-N 432.550 1.564 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC)C1CC1 1690535678 DLFSNBVGIQZDAY-UHFFFAOYSA-N 432.550 1.851 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690658964 FRAZFSYGZBQZKZ-CABCVRRESA-N 434.566 1.939 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1690676346 XDDPVSTZRJMWFJ-FQEVSTJZSA-N 432.912 1.514 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690719910 VOAUJHGBIQYNQE-INIZCTEOSA-N 433.534 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1690720341 GGBPWUCLDAAOGK-INIZCTEOSA-N 448.545 1.944 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CCO1 1690965393 BUIDGOFRUHZNCF-QXAKKESOSA-N 428.468 1.601 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1698495801 XHEYKADEGUFHTE-UFVMTTLYSA-N 439.520 1.829 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1705490539 MJVKMDGGNFWCAG-NSHDSACASA-N 433.394 1.730 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1705564645 BYDHEQKZCUPWGB-ZDUSSCGKSA-N 447.471 1.676 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1705570439 NQQWPBCMZFWVJC-IBGZPJMESA-N 446.573 1.849 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1705580169 FFFCDKZRVLWUGH-KNQAVFIVSA-N 446.555 1.571 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCC2)CC1 1705634764 IHQJLDVXJMQYAB-UHFFFAOYSA-N 433.354 1.716 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1705659213 OSVSVIWCYYYQQV-OAQYLSRUSA-N 437.529 1.662 30 10 IDEE C=CCCOCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1705832997 QLRHXAKJJBBBEY-QFIPXVFZSA-N 436.553 1.909 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCC)C1CC1 1705853440 ATKUTXIKBPIPKQ-LPHOPBHVSA-N 427.571 1.317 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1705879617 GICTZHKTWQOQIW-UHFFFAOYSA-N 436.516 1.951 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@@H]1CCS(=O)(=O)C1 1705880342 BXTFTIJTLMRAEI-INIZCTEOSA-N 428.518 1.998 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705891795 WTTVQPPMYALDQB-UHFFFAOYSA-N 429.550 1.563 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(C)o1 1705897132 GTVQYBJGDSRCPB-GJZGRUSLSA-N 436.538 1.433 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705904855 AHKMJLAZSCOCNS-LJQANCHMSA-N 437.548 1.520 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCNC(=O)c1cccc(O)c1 1706595371 VDEQJGZALRZSFB-UHFFFAOYSA-N 439.520 1.682 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC(C)(C)C 1706609497 ZFPQKRNBZOYIFK-UHFFFAOYSA-N 427.509 1.766 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1706749492 WKJYBHMNMMSPAG-KGLIPLIRSA-N 434.522 1.569 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1C 1707542649 HUULVDSRUOGTDW-FGZHOGPDSA-N 428.512 1.983 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1708248929 IXLIGCNSNKRSAP-LPHOPBHVSA-N 443.577 1.429 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712596791 XEZDXXJXGHQZQC-SLFFLAALSA-N 427.505 1.598 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1722360011 BZHLLYARDISZDT-KRWDZBQOSA-N 444.561 1.711 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722410917 SVJAPHIKNNFDHW-SFTDATJTSA-N 436.560 1.694 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1722411841 RAGGIQLXKYLPSF-IBGZPJMESA-N 449.621 1.675 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](F)COC)CC1 1722432126 SZMSYFYYVSVLSX-SFHVURJKSA-N 448.930 1.601 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(OC)CCOC1 1722446725 JVEIQXTWNGUIME-JOCHJYFZSA-N 438.488 1.485 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722735757 PCVNMYZJXCUVFQ-UHFFFAOYSA-N 443.577 1.834 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1723777395 DFICQVCRCLAPSJ-QGZVFWFLSA-N 444.561 1.754 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1729338868 HBDBGELWJZVDDX-UXHICEINSA-N 437.548 1.642 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1 1729544222 HRPGNLWZLKEQAE-UHFFFAOYSA-N 432.550 1.497 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1730999036 ODNGNHKQDMWDOI-QGZVFWFLSA-N 431.518 1.267 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1740627475 QREAEZALONJJOG-XHSDSOJGSA-N 444.504 1.571 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740659794 UDERKTBSFINWAW-JOCHJYFZSA-N 446.555 1.941 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@@H]2C)n1 1740689237 SLTSHICRBIABNQ-SLFFLAALSA-N 442.564 1.937 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740792474 IXQXPLFWNWORGM-INIZCTEOSA-N 428.493 1.377 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](COC)C1 1740985132 BVMIFKZKTJPFOA-KRWDZBQOSA-N 439.582 1.368 30 10 IDEE C=CCSCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1741004455 AVCLEZQYBSRWHF-FQEVSTJZSA-N 438.598 1.699 30 10 IDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)N(C)C 1748776336 FVGCFIBXXGOHLX-UHFFFAOYSA-N 444.330 1.808 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1748846715 KKGUOWIYYAMQKI-GOSISDBHSA-N 435.513 1.086 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1CCS(=O)(=O)NC 1748915584 YNYSUNQEEWNVHH-UHFFFAOYSA-N 444.330 1.855 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCC(=O)N(C)C)CC1 1749016316 ADCBPJIRERQOKX-UHFFFAOYSA-N 442.589 1.765 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749083068 BVLOWQZCYBONTN-DRZSPHRISA-N 436.376 1.658 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncc(CC)s2)C1 1749698135 QQFQDVDTGUTZSQ-KGLIPLIRSA-N 440.595 1.737 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1749707178 AZNCEXBRWIYNRB-GUDVDZBRSA-N 432.569 1.367 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1749730679 MPWWOPNJMRLSSR-MRXNPFEDSA-N 447.565 1.221 30 10 IDEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1750534893 NKNZIQQDSHUTRF-LSDHHAIUSA-N 436.513 1.086 30 10 IDEE CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1750538670 RNEIMABDGDQZIQ-UHFFFAOYSA-N 446.519 1.508 30 10 IDEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)cs1 1751426090 YRYFKPKRNMZHIZ-XJKSGUPXSA-N 438.579 1.625 30 10 IDEE Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)n[nH]1 1751785352 BDOZNVOREINIOV-UHFFFAOYSA-N 448.535 1.284 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1760186178 BJMSXHGYHNHNGE-HUUCEWRRSA-N 436.563 1.007 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1760191684 LRJKLLCCOSYQOL-AVRDEDQJSA-N 446.573 1.953 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1 1760209197 YPTUJXNBQWSTBB-FQEVSTJZSA-N 426.565 1.334 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCc2nccn2C1 1760251730 FPQDJSOGUXUZJS-BJLQDIEVSA-N 428.537 1.547 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1760259365 LEJOXOJWBBTWPL-HSALFYBXSA-N 448.637 1.056 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760346314 RTKXAVDYIGDUIL-STQMWFEESA-N 435.472 1.261 30 10 IDEE C=C(Cl)Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760366555 CITJEZVMCXBROJ-MGPQQGTHSA-N 431.946 1.466 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 1760421828 BOXLAVQNBHOCIT-INIZCTEOSA-N 436.586 1.305 30 10 IDEE C=CCCCn1c(CC2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1760443438 UHDYUDMYVMMEPJ-UHFFFAOYSA-N 442.568 1.444 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCN(CC)C1 1760495409 NHSBWPGOKNKDDD-MSOLQXFVSA-N 438.598 1.131 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1760504914 FYLVGTZRKYDGLR-SQGPQFPESA-N 430.505 1.969 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760522538 WCVPKBPGAKYRGY-INIZCTEOSA-N 442.568 1.567 30 10 IDEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1cccc(F)c1 1766886275 HWGFGAWDQPDFIV-MOPGFXCFSA-N 441.511 1.685 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1768700590 WNJDTBXNLQPXRV-UHFFFAOYSA-N 428.522 1.126 30 10 IDEE Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1769032174 SPLXVRSFEDNIIO-VZCXRCSSSA-N 434.504 1.940 30 10 IDEE COC[C@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769264424 FYIXTCKWBRTJDD-QGZVFWFLSA-N 442.499 1.092 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1770756507 HPJAPXVFORYXIA-MRXNPFEDSA-N 434.566 1.356 30 10 IDEE COCC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)CCC1 1770841462 CVCQLOJBXBWBHT-OAHLLOKOSA-N 430.534 1.815 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)ON1C(=O)c3ccccc3C1=O)N(C(=O)OC(C)(C)C)C2 1772791388 CPWVXQAHAJOTCP-CQSZACIVSA-N 427.417 1.460 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2CCN(C)CC2)cc1 1851736071 YZPWAUCUWOCQLE-NRFANRHFSA-N 442.541 1.230 30 10 IDEE C=CCn1cccc(C(=O)N2C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc32)c1=O 1851982861 PAGYAXAMFZYEFD-QGZVFWFLSA-N 427.482 1.765 30 10 IDEE CC(C)[C@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1853267233 WMZJEIZZKAWXNN-LJQANCHMSA-N 434.562 1.326 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3nccc4ccccc34)C2)CC1 1857042444 YIKVSDDIRHJWGQ-QGZVFWFLSA-N 426.498 1.789 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 1858965473 SRKNKUAZADRSJA-UHFFFAOYSA-N 440.433 1.771 30 10 IDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1870144244 UNDKNWHFRRLYHL-UHFFFAOYSA-N 443.423 1.722 30 10 IDEE CN(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nnnn1C 1870232897 OCHDNSZGXPGVOK-UHFFFAOYSA-N 425.518 1.676 30 10 IDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(O)CC2)cc1=O 1870385318 RTGHPATZPSDNJJ-UHFFFAOYSA-N 433.530 1.066 30 10 IDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N(CCOC)CCOC)ncnc21 1873562613 LFMVFPKAYDADGA-UHFFFAOYSA-N 444.580 1.883 30 10 IDEE CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](CNC(=O)C(F)(F)F)C1 2106600145 MECZCMLPANIQII-KRWDZBQOSA-N 441.303 1.780 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124533212 BOAAFZIVTZKGLF-DZGCQCFKSA-N 448.329 1.332 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243426896 NJKWJOJEOJMQAA-UONOGXRCSA-N 432.348 1.386 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247880745 KRSZUYWUXDBQCJ-CVEARBPZSA-N 438.355 1.930 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248445058 HMKYZXUAMLUTLA-KKUMJFAQSA-N 426.319 1.021 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255645274 GMIRROCFQJCBSS-HUUCEWRRSA-N 432.330 1.951 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2255697497 BOJLNLMNLZMWPT-UHFFFAOYSA-N 435.334 1.196 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829651 SLUXDSJSKSQRQY-UHFFFAOYSA-N 434.346 1.721 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2255840942 UPFCCYZATJHSJI-QWRGUYRKSA-N 447.288 1.971 30 10 IDEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267101182 HBJDIIVGLHPSFZ-KRWDZBQOSA-N 439.369 1.851 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@H]1NC(=O)C(F)(F)F 2267272494 ZZOOYTZAGGMTLG-GXTWGEPZSA-N 441.259 1.910 30 10 IDEE Cn1ncc(C(=O)Nc2nnc(CNC(=O)OC(C)(C)C)o2)c1B1OC(C)(C)C(C)(C)O1 2267492080 NHEGOTPEKOIRGE-UHFFFAOYSA-N 448.289 1.379 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CSC[C@H]3C(=O)O)cc2Cl)OC1(C)C 2284415806 ZWOMQAWVMAXMED-VIFPVBQESA-N 439.773 1.849 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2COC[C@H]1CC(=NO)C2 2296350780 RTDVQZJABSWPCI-PJIJBLCYSA-N 439.465 1.034 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]1C2 2312854935 GEOCEORNKAHBIP-VNHYZAJKSA-N 432.330 1.837 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[nH]1 2315387866 MYPZDFCSROOQEM-RDJZCZTQSA-N 433.358 1.751 30 10 IDEE COc1[nH]c(=NCCOCCNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317502255 YIWFZCMVBNBAOD-UHFFFAOYSA-N 437.346 1.765 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2334261954 NRLOTPINSVBUEU-ZJIFWQFVSA-N 449.357 1.805 30 10 IDEE Cn1cc(/C=C/C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c(=O)n(C)c1=O 10989044 PNDHKUFPBYYPTR-BQYQJAHWSA-N 430.848 1.241 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cn1 59830145 MDMZEQHYZDZVJF-UFWORHAWSA-N 442.465 1.459 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 109941303 VFIGFXWMXHIOQH-SFHVURJKSA-N 449.492 1.492 30 10 IDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 409486417 RMNCUZRMQOVWJB-INIZCTEOSA-N 428.580 1.428 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1C[C@@H]1CCOC1 461533966 IMKBOCVMYGAPEB-MSOLQXFVSA-N 445.531 1.677 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(S(=O)(=O)c1cc(Br)cc(C#N)c1)C2 481245004 DIMPVWAEUGYERZ-BLLLJJGKSA-N 429.292 1.521 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 481792886 FOAWYQAKCMGHAB-HOCLYGCPSA-N 428.518 1.558 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cn2)C[C@H](C)O1 499665947 DZFQSMSSIUCPBZ-ROUUACIJSA-N 435.532 1.994 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 508940225 XLJKHEYVNCXFDH-LPHOPBHVSA-N 447.561 1.800 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)COC3)CC1 524334109 HXHYSOLLLFINPC-UHFFFAOYSA-N 433.511 1.284 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 525178815 OAHPCQMEWXANFF-UHFFFAOYSA-N 429.546 1.921 30 10 IDEE C[C@@H]1C[C@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1C 532590308 PSQGMLWTJZYEES-IAGOWNOFSA-N 426.521 1.869 30 10 IDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 545509361 TZRFEVQUYUWAAS-UHFFFAOYSA-N 434.566 1.235 30 10 IDEE Cn1c(=O)nc(O)c2c(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc(C3CC3)nc21 546197735 FEQPXORIZWMXKI-UHFFFAOYSA-N 431.456 1.141 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCO2)CC1 549479346 LKRIJTULKUSWQO-UZLBHIALSA-N 442.495 1.882 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 584547676 MYRIFUTWZUOMHJ-FQEVSTJZSA-N 433.578 1.590 30 10 IDEE CON[N+](=O)CC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 585088967 QYYYIHRLCWKSAG-UZLBHIALSA-N 433.510 1.760 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)cc1 586003183 DEHRSWXBHQYMDS-LJQANCHMSA-N 440.525 1.843 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(CCOC(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1 586385512 SJSQCWVTLOHHLC-UHFFFAOYSA-N 446.463 1.155 30 10 IDEE CC(C)NC(=O)CN(CC(=O)Nc1sccc1C#N)CC(=O)Nc1sccc1C#N 602270213 YOWHNMCJWHACEB-UHFFFAOYSA-N 444.542 1.957 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610984583 FAWBBZHBSIRTNN-PSBWJHGTSA-N 441.488 1.057 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 618842821 QIKHOYYYOWVBRB-LJQANCHMSA-N 439.541 1.985 30 10 IDEE CCc1ccc(-n2c(=C(C#N)C(=O)NCCCOC)sc(=Cc3ccoc3)c2=O)cc1 727416001 CCXCCDXBTPURFB-UHFFFAOYSA-N 437.521 1.710 30 10 IDEE COc1ccc(OC)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c1 727417486 GKSMEUPACQDUNP-UHFFFAOYSA-N 437.477 1.291 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)[C@H]1CCS(=O)(=O)C1 733135773 LDWWZBBKXTXLOO-AWEZNQCLSA-N 446.978 1.631 30 10 IDEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc2c(c1)OCCCO2 741339827 BTUQRSBFGGESBS-OMEIHDDLSA-N 429.429 1.635 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741433704 YSUNBNMKAUQVBL-GOSISDBHSA-N 441.509 1.822 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC#Cc2ccccc2Cl)c1 747008239 WMXXDPPYKOJHKU-UHFFFAOYSA-N 434.901 1.915 30 10 IDEE C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 751731480 QEIUPYNSMQGGRV-CQSZACIVSA-N 446.485 1.102 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@H](O)c3ccco3)C2=O)cc1 753737085 DKALAFWYQJDZFR-AABGKKOBSA-N 438.484 1.786 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc2c1OCC2 758457868 SHQOJSTUJLAOGV-CYBMUJFWSA-N 434.333 1.195 30 10 IDEE CN(Cc1cnn(C)c1)C(=O)CON=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 769843073 VZUVPWXUGYTGIR-UHFFFAOYSA-N 430.509 1.740 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC1CCN(C(=O)c2ccccc2)CC1)c1cc[nH]n1 772280376 JDYZEKCFBJYSHC-UHFFFAOYSA-N 441.488 1.362 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 780180048 NRRCUPXVODKGEF-OAQYLSRUSA-N 449.529 1.837 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)[C@@H]1CCS(=O)(=O)C1 797448643 WTADONKHBOEHCT-CQSZACIVSA-N 427.519 1.805 30 10 IDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2CCCNS(=O)(=O)CC)c1 803197193 XGRHDEWBRMCZCS-UHFFFAOYSA-N 430.559 1.888 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 809894156 ZJFZVTNPJRVSRZ-RTBURBONSA-N 431.562 1.222 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCCNS(C)(=O)=O 914541348 QGOPYPFZHOWUIF-MRXNPFEDSA-N 438.575 1.535 30 10 IDEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1124649973 AYGUHJNJPPSOAJ-ZDUSSCGKSA-N 433.490 1.175 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1142139935 ZNDXRGQZOCRGDV-MRXNPFEDSA-N 428.555 1.600 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CC3CCOCC3)C(=O)OC)ccc2c1=O 1161759894 ONIPECZXQYVLSM-QGZVFWFLSA-N 431.514 1.959 30 10 IDEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CC1 1167535858 UOIWHIVDZFZULI-UHFFFAOYSA-N 442.493 1.494 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CC(=O)Nc1cc(Cl)ccc1C#N 1196185948 FUEUHZHPHRTSSW-HXUWFJFHSA-N 438.912 1.738 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@@H](Cc3ccccc3)c3ccccn3)C2)c(=O)nc1O 1251640475 PAJVPWAGFLTZAV-QGZVFWFLSA-N 430.468 1.808 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)CC2)cn1C 1251988115 GKHHCBFSSWHHLT-LJQANCHMSA-N 442.545 1.694 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286326418 CHWZJKMGTQLAKG-UHFFFAOYSA-N 437.548 1.642 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286358735 OXPJHGFSJMXVBR-FPOVZHCZSA-N 444.580 1.160 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCOC 1286443057 WWQCKBKGEFLGRO-FQEVSTJZSA-N 434.566 1.485 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)C(=O)NCC)CC1 1286480012 ZJFKAHZUWZWFSC-UHFFFAOYSA-N 426.540 1.926 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)CN2CCOCC2)CC1 1286486535 OAJFZCUYIZIAER-MOPGFXCFSA-N 430.597 1.726 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCNS(=O)(=O)Cc1ccon1 1286519892 NXWBFPQAGJDAQX-HXUWFJFHSA-N 441.517 1.440 30 10 IDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1)c1ccccc1 1286614655 AFUCOQGKWSCMTO-SFHVURJKSA-N 446.577 1.648 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286729548 UIGYWBGOPOUMIU-KRWDZBQOSA-N 425.537 1.691 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1286744344 HUJLPOTZTNICPA-AWEZNQCLSA-N 448.528 1.397 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286782233 OUOCQLDWOSSBAJ-UHFFFAOYSA-N 433.516 1.568 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286789053 NYRBJNNJQQFWKI-SFHVURJKSA-N 431.562 1.493 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CCc2ccccc2)CC1 1286789782 WRSIEZDNQSQJKC-UHFFFAOYSA-N 445.571 1.931 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1287130915 HMVFQIZNURMTHM-UHFFFAOYSA-N 449.515 1.935 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1289039159 VSOPJKKGUHKLGE-HFUDNHEJSA-N 432.550 1.640 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@H]1C 1295981011 QKUNCCBIQOBXRO-ILXRZTDVSA-N 435.554 1.320 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3c(Br)nc4n3CCOC4)C2=O)cc1 1296292084 BKLIRENKUFREEF-CQSZACIVSA-N 444.289 1.973 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1299564244 SUPRMDYNUUCFQL-OAGGEKHMSA-N 436.513 1.350 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1300479826 SQZXNNQYEHEXAO-KRWDZBQOSA-N 448.549 1.168 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1300482772 GYKGXGACANEQGF-ROUUACIJSA-N 437.610 1.265 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1300501347 KAPGDFICSSAQTR-UZLBHIALSA-N 434.587 1.827 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)OCCO3)CC1 1300683584 QTIPGWYLGVCIND-GOSISDBHSA-N 441.532 1.577 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300754715 FTCYFBZCBDPNHM-KRWDZBQOSA-N 444.609 1.082 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1300997240 RWBJRLYUBOVUOC-SFHVURJKSA-N 429.525 1.095 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301608888 AZRZXGWIZWQTCA-UZLBHIALSA-N 431.566 1.634 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1307057273 XVXSRHYEHYQIAT-FCEWJHQRSA-N 441.577 1.595 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1313499308 NHAHDWWXUXBDMA-HXUWFJFHSA-N 437.548 1.850 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCN2CCCO)CCOC1 1314119367 HCAYCDVCCAQKFG-UEVCKROQSA-N 446.596 1.907 30 10 IDEE COCC[C@](C)(O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1315977731 BNNOVXDINQXFHD-XUVXKRRUSA-N 425.505 1.548 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)COCC2 1316097407 AKWCLVOYIARJDG-UHFFFAOYSA-N 426.521 1.904 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCO2)CCN1C1CC1 1335739694 LCOWYMYMUXCZGI-QZTJIDSGSA-N 436.520 1.671 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCN(CC)CC1 1358900467 LJWHAKDDIZFVQW-ANULTFPQSA-N 432.613 1.734 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1358929738 HBUQIQOJJJIPFQ-MSOLQXFVSA-N 432.550 1.004 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1358962864 YFVWPRQNPPSSPA-RDGPPVDQSA-N 436.578 1.962 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1359027129 XBPNZUNISVCARX-SFHVURJKSA-N 432.546 1.686 30 10 IDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCS(=O)(=O)CC1 1359235651 IFUHKNWVQOHWRJ-UHFFFAOYSA-N 434.518 1.278 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cccc2OC)C1 1359291259 JTQNTFBSPAIUTB-UHFFFAOYSA-N 447.499 1.799 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359326986 PBJMIVLWAISQDO-MSOLQXFVSA-N 425.599 1.551 30 10 IDEE C=CC1(CC(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1451976148 XWGYYRPOMMEQOX-UHFFFAOYSA-N 436.553 1.832 30 10 IDEE C#C[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1452478665 YITRMCAKZPSXCR-YOEHRIQHSA-N 446.978 1.293 30 10 IDEE COc1ccc(CC(=O)Nc2cccc(CC#N)n2)cc1S(=O)(=O)N1CCOCC1 1462420573 HPYVKSYAPHPPQH-UHFFFAOYSA-N 430.486 1.358 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1464664550 CQZMTHICJJPQRA-HOTGVXAUSA-N 428.961 1.963 30 10 IDEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1503074813 GUENJCWIEANNLL-HXUWFJFHSA-N 432.550 1.923 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)c1 1504124004 IACYHSPGLPIPJA-LEWJYISDSA-N 430.484 1.471 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1507536866 FKCQDLSGWKTPTR-KXBFYZLASA-N 443.529 1.863 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1507544774 BZRYJHLIUBOFOK-INIZCTEOSA-N 448.545 1.263 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@]2(C)CN(C)C2=O)c1 1507549713 MCCJJVJSVLZJFN-DEOSSOPVSA-N 443.511 1.875 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507597132 VSDNRHHUPZIJBH-KSZLIROESA-N 444.536 1.182 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1507642487 KBHRBXLDQOSSMP-KRWDZBQOSA-N 439.491 1.912 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507789639 GSBURSIZWVEBRC-NEPJUHHUSA-N 426.271 1.423 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1507925186 APOJPUHDOFZDMW-OAHLLOKOSA-N 426.587 1.692 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1508037833 DPGQSOOADGCTJE-NRFANRHFSA-N 434.562 1.366 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1508061890 DVOGAEDMSRRDPQ-UHFFFAOYSA-N 444.561 1.239 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)CCC)CC1 1508086017 WTKIVKMSHOQBSB-UHFFFAOYSA-N 445.593 1.821 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1510253347 DEFAWBWWCNIJLX-QFBILLFUSA-N 432.500 1.864 30 10 IDEE CCCN1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1514944279 VTKAIRJFZQJJND-VHEBQXMUSA-N 443.552 1.551 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CCO1 1521128324 BCIBJLLUBIWXTD-FUHWJXTLSA-N 431.518 1.378 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1538970277 BSKUHCJWFZHMTP-CVEARBPZSA-N 432.550 1.602 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1538973518 OAYUJGIVXUFSFI-ZJUUUORDSA-N 433.431 1.951 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1539002855 IZMZKCGFMJUKAS-OAHLLOKOSA-N 442.545 1.568 30 10 IDEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539095445 CTMOZBVDOANKNS-FQEVSTJZSA-N 447.547 1.569 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](CC(N)=O)C1 1539117123 UBIBXDVMMGYAFG-MRXNPFEDSA-N 443.577 1.743 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1539241284 AGQALJUGTPYCSK-QHCPKHFHSA-N 437.500 1.522 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C(C)C 1539258539 XSLHEKQWBIQIKO-OAQYLSRUSA-N 428.562 1.718 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)C2CC2)CC1 1539435775 AEHZWQRYPJJJSW-HSZRJFAPSA-N 425.533 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)[C@H](C)CC)CC1 1539462849 MKJAIAZMWDQGEI-IEBWSBKVSA-N 444.580 1.541 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1539483141 ZPRLASNEIMEMSN-NOVUIFNWSA-N 435.594 1.295 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539504534 JFVBLBYLJWYSQZ-UHFFFAOYSA-N 430.578 1.860 30 10 IDEE C#CCSCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1539530763 MVWCMYCXZHQQOO-YADHBBJMSA-N 449.621 1.598 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540021034 ZQQDCUBXWPKRGF-BZSNNMDCSA-N 446.552 1.735 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540866047 BAINHDIGMKKPRD-LRDDRELGSA-N 432.887 1.755 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1540870660 STALPOUELBJLRI-HOTGVXAUSA-N 445.524 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1540899785 ZUASTJPKNVIFFC-OAQYLSRUSA-N 431.562 1.810 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1 1544575326 DPMWDLZIRGMLPO-MRXNPFEDSA-N 434.504 1.372 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1555742118 BYTJLZBQSWALBC-UVFQYZLESA-N 448.524 1.936 30 10 IDEE CS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555820162 YXYABCVAPUKUQH-UHFFFAOYSA-N 431.522 1.020 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C3CCCC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1555984711 ASALIUBSOAFIJX-SFHVURJKSA-N 437.501 1.485 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1556457497 HLWXUGCUBYCXKW-SJORKVTESA-N 445.582 1.192 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)S(=O)(=O)c1ccc(CC#N)cc1 1561644920 CDZSPAOUGRNEJN-UHFFFAOYSA-N 427.479 1.239 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)cc1 1565227255 CSDKWLIIRCEKJG-FPOVZHCZSA-N 449.559 1.778 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588053067 AREGZSNKKGNZHV-BZSNNMDCSA-N 449.577 1.205 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)F 1588173736 IKJRZNBEGXTHAR-UHFFFAOYSA-N 442.470 1.991 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(C(N)=O)nc2)CC1 1588761964 CTYRKBALGWXMPZ-UHFFFAOYSA-N 435.919 1.896 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C)CC1 1588836102 FLOVZLJNKOGJPE-IBGZPJMESA-N 443.573 1.323 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589036455 HZPOGUILWNHPSU-MRXNPFEDSA-N 448.570 1.706 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCCCC2=O)CC1 1594013044 BFYPDFDTQDCAFC-QGZVFWFLSA-N 438.598 1.837 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C(C)=O)CC2)C1 1595739346 ZTXPUVWKPIEZHO-NRFANRHFSA-N 439.564 1.209 30 10 IDEE COCCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1620038810 DAUAIKWJNYGVPA-QGZVFWFLSA-N 428.493 1.219 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c(Br)nc2n1CCOC2 1631744195 DEEPSQOHJJBBHI-LLVKDONJSA-N 432.282 1.188 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](c4cc(O)nc(O)n4)C3)CC2=O)cc1Cl 1631833224 VRULQAWTNOLCCF-OLZOCXBDSA-N 427.848 1.782 30 10 IDEE CS(=O)(=O)N1CCc2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)ccc21 1639049746 KEYWMXXKPRMXAT-UHFFFAOYSA-N 443.481 1.526 30 10 IDEE CCC(CC)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(OC)c(OC)c1 1648028860 QAUGKGGMKGELCJ-UHFFFAOYSA-N 426.473 1.979 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)C 1649538767 GXVIOBSLSGFQFF-HNNXBMFYSA-N 445.593 1.777 30 10 IDEE CC(C)(C)OC(=O)NC1CC2(CC(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)C1 1651270453 CWGDXXLUNSLYGA-UHFFFAOYSA-N 448.545 1.789 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CCO)CCOCC(F)(F)F)CC1 1652480859 TUVRXLZUWXJIJO-SFHVURJKSA-N 446.445 1.408 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 1654645874 JPRMKEPERKUHIL-IFMALSPDSA-N 448.608 1.548 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)C1 1656883331 AHHJMMGERFODMT-ZDUSSCGKSA-N 426.336 1.710 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1659142393 JFICQNKLDPYPQC-QGZVFWFLSA-N 434.518 1.163 30 10 IDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)CCN1CCOC1=O 1660259843 CCSMXMFBHXRYKZ-OAHLLOKOSA-N 443.319 1.990 30 10 IDEE CC#CC[C@@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1672100893 QPPYDCSWYLMXJI-LSDHHAIUSA-N 436.475 1.544 30 10 IDEE C=CCn1cc(CNC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)nn1 1680687230 NMNYHVMIDBJNLC-UHFFFAOYSA-N 433.412 1.636 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCc3nnc(S)n3C3CC3)C2=O)cc1 1682022378 ZCUHXDDKRKQXCI-INIZCTEOSA-N 425.518 1.416 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1689990736 RDHAVLWCUMPXPR-NMLBUPMWSA-N 448.589 1.780 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@H]1C 1690234562 IISGXCUZGROJFU-KBMXLJTQSA-N 442.358 1.968 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1690677946 FRVMIDNJDVRTCT-OAHLLOKOSA-N 447.927 1.923 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1692204834 HYZZHKIQEBEBFK-UHFFFAOYSA-N 425.537 1.734 30 10 IDEE CN(CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1696802306 CVJRICVGELGEFV-HNNXBMFYSA-N 448.515 1.804 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1696912942 ASBPVXDCWOGRBW-PBNKOMEISA-N 444.561 1.458 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1697198132 HZFPPYPWFANAOA-NRFANRHFSA-N 444.561 1.858 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)cc(OC)c1 1698255848 WEUGRKIXLYBLDU-SNRMKQJTSA-N 431.468 1.927 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCc1ccco1 1705491163 ZCORAUWGNFBIFS-OAHLLOKOSA-N 445.483 1.559 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(C)cccc2C)CC1 1705639012 DHAQWZMZODMZFJ-HXUWFJFHSA-N 441.601 1.795 30 10 IDEE C=C(C)Cn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1705728369 HYZUEZHBXANPIY-IBGZPJMESA-N 427.571 1.414 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908457 QCTOYSVDRRJVLA-LRAJWGHMSA-N 447.515 1.793 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(=O)(=O)CC)cc1 1708919731 UORLVSCJWDHNGN-GOSISDBHSA-N 432.550 1.566 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1709829946 HGOIRNBIVURFIL-APWZRJJASA-N 426.521 1.973 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1710015789 BOFOVFROPKQJAC-JKSUJKDBSA-N 431.566 1.729 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC2(F)F)CCO1 1712884074 FXWAKDGPAYPGBI-SOUVJXGZSA-N 429.493 1.734 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722308041 DUPROZFWCOIRTO-IAGOWNOFSA-N 436.582 1.283 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1722314457 NZFNLXIJLVGUJU-QZTJIDSGSA-N 427.553 1.850 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722317403 FQXQZBNLMYUTMN-FQEVSTJZSA-N 439.564 1.771 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(OC)CCOC2)CC1 1722434769 ZNDDSFNFLFBFKR-NRFANRHFSA-N 426.477 1.414 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C(=O)NCC)CC1 1722440175 FKVFQQNNSOWBSK-UHFFFAOYSA-N 438.576 1.817 30 10 IDEE C=C(C)COCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722537902 HQCSYUWAYXBHFF-HXUWFJFHSA-N 442.582 1.536 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722699770 YECWSNNTSMVPHA-GFCCVEGCSA-N 427.431 1.473 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722721550 UODJSHTYKZFPSQ-OALUTQOASA-N 430.553 1.440 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722736659 DQZCWRCAPGMIIV-UHFFFAOYSA-N 432.594 1.882 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723075835 LSDILELGSHKFLX-RBUKOAKNSA-N 429.569 1.859 30 10 IDEE C[C@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CCCS(C)(=O)=O)C2 1724049198 NVZIXBWGUKELAB-FQEVSTJZSA-N 444.517 1.282 30 10 IDEE CO[C@@]1(Cn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOC1 1729950780 ZIDSPSWNJCUMTA-JOCHJYFZSA-N 425.537 1.875 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1730812057 FRMUYIZRVCXLQF-UHFFFAOYSA-N 449.515 1.756 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)C1 1731181461 HNJNHLYQRWQSQD-JTDSTZFVSA-N 425.530 1.971 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1740617567 SYXLVVASGHNUDP-SFHVURJKSA-N 429.546 1.436 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1740628213 WHDIOMRWAJJCQU-ZACQAIPSSA-N 438.619 1.940 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740715706 DTVUJTCAGICLBC-JWRCQZCYSA-N 431.587 1.969 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740721128 XPQGNPIIRCEQME-QGZVFWFLSA-N 437.573 1.940 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1740868781 SKQKWKIIFQCQOG-IRXDYDNUSA-N 448.597 1.750 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1741410707 RVNVLMPLZMTPAR-FYPAYUBKSA-N 430.509 1.517 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)F 1747706462 DQAWFAVLJWYKQC-MRXNPFEDSA-N 439.488 1.970 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1748671886 NVLNJJNNBDVUHS-WBVHZDCISA-N 425.518 1.267 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1748678060 PRBAVEIJNVLSQS-VNRULFPQSA-N 434.500 1.862 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1748795050 VJMLLHKDYORCTE-RDPSFJRHSA-N 438.576 1.252 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1COCCO1 1748840981 OJULSMSXYUUVTD-KRWDZBQOSA-N 442.545 1.117 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NC(C)C)CC1 1748979354 ZCGYIHIRUPMCNM-QGZVFWFLSA-N 428.512 1.837 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)OCC)CC1 1748979872 QKYBCWGCXJZZAA-UHFFFAOYSA-N 445.589 1.919 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1749073549 UBVHJWDOOGTGKB-WIYYLYMNSA-N 445.593 1.556 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1749650073 ISEFNEYRHBUPGB-IBGZPJMESA-N 440.548 1.557 30 10 IDEE Cc1noc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)n1 1751970251 GVRFVVCISASGHD-UHFFFAOYSA-N 436.476 1.331 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn(CCOC)c1)[C@@H]1CCS(=O)(=O)C1 1760184464 XONHNLJSBYILJJ-SJLPKXTDSA-N 434.566 1.310 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1760189880 QUAILBCAHJDNJR-OALUTQOASA-N 444.605 1.785 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCc2cnn(C)n2)CC1 1760262159 ITKRDICVWHQOQV-UHFFFAOYSA-N 434.548 1.394 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1760280523 GJAAVYHAYPJFGJ-QGZVFWFLSA-N 438.619 1.942 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760294815 HBMDEUTVTPDSEO-VQQMMKBISA-N 449.621 1.672 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760354905 RBKOAAMKQRBXBU-OAQYLSRUSA-N 427.509 1.680 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760528368 ANXDZKZJMTVTRM-JOCHJYFZSA-N 433.553 1.629 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C 1760529219 ZUAHKFAPOKCZIV-OAHLLOKOSA-N 446.512 1.366 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)C1 1760541840 ANWXEOAOSRJERE-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766747909 VGICAQHQMOAKEV-ZQHDKMAOSA-N 430.534 1.823 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1771113462 VYSLVJHMEALDLU-DENIHFKCSA-N 443.552 1.844 30 10 IDEE C=CCN1C[C@@H](C(=O)N2N=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)CC1=O 1852763590 XAWRWPBQCUNDQE-HNNXBMFYSA-N 444.513 1.167 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3c(F)cccc3F)C2)CC1=O 1855859651 WMEXKZPQBHHXDI-CQSZACIVSA-N 427.473 1.365 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[C@H](N(C)CCC#N)C3=O)C2)cc1 1856496777 OFFQCXLKPCZILV-MJGOQNOKSA-N 432.546 1.369 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 1861579844 OYPWVTCHOWWLDY-RFMXEPQUSA-N 439.306 1.744 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCO)CCO)n2Cc1ccco1 1873563234 AIEPGJNISBUZQP-UHFFFAOYSA-N 425.489 1.678 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc3c(c2)OCCO3)CC1=O 1874341938 WKFCVJNLGUSYHH-FPQGOQEYSA-N 431.518 1.740 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1C(=O)O 1874429823 DMJCRTIZTMZBLU-UFFVCSGVSA-N 432.506 1.455 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1985006834 JCGPJSBFYZKRDE-JYJNAYRXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1COC1 2060624798 CHEKDSVQKAERFQ-CQSZACIVSA-N 434.302 1.254 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2085301170 FNJMRFYDWRZGJG-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE C#CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2116268344 JFSZEHYOKOZXLZ-WCQYABFASA-N 427.299 1.421 30 10 IDEE C#CCn1ncc(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)c(Br)c1=O 2162296781 NVLUTPZOMSMXEV-LLVKDONJSA-N 443.298 1.507 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]1CCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403982 HTFRBITUHKFSNA-GFCCVEGCSA-N 438.359 1.987 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248404629 LPDAXPLSSBYNPS-WFASDCNBSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255525856 KNAUDDHOLPSUFP-CQSZACIVSA-N 438.305 1.740 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632283 LBCIJROAZSKQCB-MNOVXSKESA-N 430.236 1.381 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255636632 XBKMMUONQAEKRQ-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2255649817 XIXIZBFLLCLFOO-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CC(NC(=O)OC(C)(C)C)C1 2255659518 SZQPGGLIMNIARI-UHFFFAOYSA-N 434.346 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 2255692355 BDLOEKKOWTZXIV-ZDUSSCGKSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255844235 SUZDGZCSOOWWDM-OTVXOJSOSA-N 432.330 1.809 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267184410 UVWALAGUYRNVCO-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267261409 UQHLWUYRSFELBB-UHFFFAOYSA-N 436.325 1.631 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 2267263715 JNFGMBUTNJXAMT-OAQYLSRUSA-N 447.345 1.340 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267267587 XXLFHTIHICDAQA-VNQPRFMTSA-N 444.341 1.904 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267274069 VHCUTCQBPBTOPP-IAGOWNOFSA-N 447.341 1.481 30 10 IDEE C[C@@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267543366 FIGIIZXBJQLSSE-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2268653536 OHNZQASUEQOJRM-GOSISDBHSA-N 446.353 1.756 30 10 IDEE COc1cc(/C=N/Nc2nnc(SCC(=O)OC(C)(C)C)n2N)cc(OC)c1OC 20919780 XRAQBOQGSSRIMC-AWQFTUOYSA-N 438.510 1.898 30 10 IDEE CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCC#N)OCCC#N)O[C@H]2COC(C)(C)O[C@H]21 44154876 YDWCHPGRHWOJBO-ZJIFWQFVSA-N 432.366 1.822 30 10 IDEE in-vitro C=C1C(=O)[C@@]23C[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@@]12CO[C@@]3(O)[C@H](O)[C@@H]1C(C)(C)CC[C@H]2OC(C)=O 257416182 FKKSXNLVJJDMAR-UVXWHLDPSA-N 448.512 1.517 30 10 IDEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 460966199 HFHWWMLNIOFZHO-CQSZACIVSA-N 444.351 1.463 30 10 IDEE CCOCc1nc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 461236180 HJVBQTXMMMJMRD-AWEZNQCLSA-N 447.517 1.756 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481564049 OASOGEGSZQRVBS-LJQANCHMSA-N 444.488 1.549 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 504714638 FHELSOJUKWXTND-AEFFLSMTSA-N 433.472 1.338 30 10 IDEE COc1cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([N+](=O)[O-])cc1OC 506805280 MLKCISRIAXPIKP-UHFFFAOYSA-N 446.485 1.990 30 10 IDEE CN1CCN([C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c2cccs2)CC1 546216504 JIVYMIKFLJKOCO-LJQANCHMSA-N 439.589 1.835 30 10 IDEE COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N(C)C)cc1OC 585685925 WPZIXIJYMHQVCX-GOSISDBHSA-N 428.464 1.750 30 10 IDEE CN(CCC#N)C(=O)C[S@](=O)CC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 586354292 XTKZNBBPVPSFNI-GDLZYMKVSA-N 432.527 1.573 30 10 IDEE Cc1c(I)cn(CC(=O)N2CCOC[C@@H]2C2CC2)c(=O)c1C#N 589257564 VRNAKJHSAKLPFG-CQSZACIVSA-N 427.242 1.270 30 10 IDEE Cc1c(C#N)c(NC(=O)CN(C)CCN2CCCS2(=O)=O)n(Cc2ccccc2)c1C 610614805 GBSCWEGMGHMXDS-UHFFFAOYSA-N 443.573 1.931 30 10 IDEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615456180 HPNUBMICUOJMMH-SFHVURJKSA-N 441.557 1.791 30 10 IDEE C#CCN(C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC)[C@@H]1CCS(=O)(=O)C1 729332816 YVNQBRVTJKXGNR-CQSZACIVSA-N 446.529 1.293 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1c(C)cccc1C 729672129 YLONZFFFMMCUBM-UHFFFAOYSA-N 429.505 1.413 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(Oc3cnccn3)cc2)c(=O)n1C[C@H]1CCCO1 743728035 FTZPFZMLNDTOIV-GOSISDBHSA-N 431.477 1.698 30 10 IDEE C[C@H](CC(=O)OCC(=O)Nc1ccc2c(c1)OCO2)/N=C1/NS(=O)(=O)c2ccccc21 745498529 XQKFJVMRDISFSQ-GFCCVEGCSA-N 445.453 1.414 30 10 IDEE CS(=O)(=O)CCOc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 750706008 FPJQTOCWOJARBK-UHFFFAOYSA-N 429.502 1.731 30 10 IDEE C#CCN(C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)[C@H]1CCS(=O)(=O)C1 751274487 VMKLSUGZHDODDM-ABSDTBQOSA-N 436.530 1.365 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccc(F)cc3)c2=O)c[nH]1 753356479 CYALQWJFIWXVLL-UHFFFAOYSA-N 439.468 1.881 30 10 IDEE CCN(CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 770801692 JJQCRYIYFVHTLF-CRAIPNDOSA-N 425.551 1.969 30 10 IDEE C#CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774194473 GIOLLBDSBQDLBD-MOPGFXCFSA-N 439.965 1.545 30 10 IDEE COc1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC)cc1Br 780778014 WLMPFPGOLDCHQY-GFCCVEGCSA-N 430.324 1.827 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 786977436 BVODVEGUUDUNMW-PFONDFGASA-N 425.264 1.125 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1cc[nH]n1 789995799 UIBAITJFQMAWNE-LPHOPBHVSA-N 435.431 1.533 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)n1 790104635 HPPZAHVZKQVLAH-PMERELPUSA-N 431.514 1.460 30 10 IDEE CCc1nc(C2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 791213652 RVYPTFCIRUSQAO-ZDUSSCGKSA-N 430.534 1.590 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC#Cc2ccccc2)c1OC 791330614 SASFJGXZPBWLIL-UHFFFAOYSA-N 445.493 1.933 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC(=O)N2C(C)(C)C)cn1 796426076 VWRDTJUVYADHAL-QFBILLFUSA-N 428.493 1.307 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)ccc1OC 806803861 AVCKCVSLQYWDLZ-DLBZAZTESA-N 438.550 1.989 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)CC1 812911693 CFMIYYHCQKJLBT-UHFFFAOYSA-N 446.556 1.313 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 816696928 MJWDGKIIGLAIRV-AWEZNQCLSA-N 427.841 2.000 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 818034618 PPMREOZKTCTNQS-GBESFXJTSA-N 448.589 1.606 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c(=O)n1C[C@@H]1CCCO1 837882626 WWYZYWCPSSVOIK-VQTJNVASSA-N 437.521 1.673 30 10 IDEE C[C@@H](NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2O)n1N)c1ccccc1 1084408328 VFDHVYCHZBCBQX-GFCCVEGCSA-N 427.490 1.819 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C1CCOCC1 1131257475 PTCCIGVDZQVVGO-SFTDATJTSA-N 432.542 1.977 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c1 1151140606 MMVIWMHIWRMMPT-KRWDZBQOSA-N 449.891 1.926 30 10 IDEE CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(N)c1 1154117160 RRCYGBBISGZLNX-LJQANCHMSA-N 426.498 1.859 30 10 IDEE C=CCCC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1177958661 KZEVIBVOGOZACG-CQSZACIVSA-N 433.324 1.742 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)[C@H](C)O)cc1 1179404508 FYBJZZWNNCJOTC-DQLDELGASA-N 443.525 1.495 30 10 IDEE C[S@](=N)(=O)N1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1197574010 PNOUUKOSXHDMND-AZYRPFHASA-N 448.593 1.565 30 10 IDEE Cn1cc(Br)c(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1273199059 PSGSYZGJVFMIOF-CQSZACIVSA-N 445.277 1.576 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCN2CC)CC1 1286472309 GJZNMIUVPMKQPN-REWPJTCUSA-N 430.597 1.560 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCS(C)(=O)=O)CC1 1286473395 LJOYZGPLMWDIEC-UHFFFAOYSA-N 447.561 1.152 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC)CC1 1286491069 DAZKDIBLLWATKT-UHFFFAOYSA-N 426.496 1.110 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286503170 ASVOJJCLOOOWJD-HXUWFJFHSA-N 426.550 1.531 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F 1286516314 FWGVKGJCYHOOHF-SJKOYZFVSA-N 427.481 1.520 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286782090 KAJYZQOSKGZDSK-QZTJIDSGSA-N 442.476 1.540 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1286788303 UJGMVYKWQJEMTM-YJBOKZPZSA-N 433.459 1.940 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286789572 FRNSVBCCXDNCKJ-UHFFFAOYSA-N 440.548 1.506 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCN(C)C2)C1 1286812999 VSSPNPBCPIBHHY-OFNKIYASSA-N 427.549 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1 1286816221 GNZCNTILGDGTLI-MRXNPFEDSA-N 428.522 1.374 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OC)C1 1286819444 KXFIHQYVUASXGL-CQSZACIVSA-N 437.522 1.222 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1286967771 GVNXVKZWOLZWQO-YHUYYLMFSA-N 428.534 1.345 30 10 IDEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)cn1 1295909107 JUTCRFUXXIALJZ-UHFFFAOYSA-N 442.549 1.609 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1297777721 BPNIDGXDBHWVSE-FQEVSTJZSA-N 443.508 1.875 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1300273311 PXVPWWPRVZLEIQ-GJZGRUSLSA-N 429.550 1.705 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300368160 OFXBWNGBWKENGU-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300404404 VVWVRWDVCJRZIU-WIYYLYMNSA-N 438.580 1.471 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC1CC1 1300437957 ATNGQGYVBJYJCL-UHFFFAOYSA-N 440.367 1.940 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1300559202 LTBGAMRQXNVGLZ-HSZRJFAPSA-N 429.565 1.504 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-n1cccn1 1300675504 SGQCVPIQZMJMTK-UHFFFAOYSA-N 433.516 1.721 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)CC)CC1 1300729388 XXAPXXMCUJRMIR-OAQYLSRUSA-N 430.578 1.761 30 10 IDEE COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1300974115 DRALPNIPJUGYDA-JTDSTZFVSA-N 440.570 1.024 30 10 IDEE COCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301448245 GDMUOCFLBKMETB-QRQCRPRQSA-N 442.520 1.495 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3nccs3)C2)nnc1[C@@]1(OCC)CCOC1 1301521067 ZCRVFFOWKFEYNC-MGPUTAFESA-N 448.549 1.267 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncnn2-c2ccccc2)C1 1301535944 PWAATLBXNVWAKK-SFHVURJKSA-N 436.520 1.827 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1301587864 AMGCVKRITXUARQ-MRXNPFEDSA-N 435.506 1.927 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1302250327 OJGWKAKJITVGKT-YDHSSHFGSA-N 438.532 1.988 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)c1 1303391495 UNPXKEAIPUUBOT-SFHVURJKSA-N 427.482 1.696 30 10 IDEE CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1306533761 CQWMMDNNBWJXOZ-JTSKRJEESA-N 438.536 1.374 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1307936232 BMBAMECEWAUHFA-NVXWUHKLSA-N 440.418 1.600 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCc3cnccn3)CC2)CC1 1308025898 YWHVKINGRUJICZ-FQEVSTJZSA-N 439.589 1.107 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1C#N 1309694924 BKMHCPNWJULPGS-CHWSQXEVSA-N 436.353 1.459 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCC(n2nncc2I)CC1 1313096667 CZFMWTJKUTUMGF-GFCCVEGCSA-N 431.278 1.658 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 1313403186 VAXBABBDLLAVGX-HXUWFJFHSA-N 441.557 1.686 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1314530728 KLGKAACOXYYHFL-DFNIBXOVSA-N 429.546 1.849 30 10 IDEE Cc1ccc(C(=O)N2CCC(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1338908694 HHLJKZFEPPRNCA-VXPUYCOJSA-N 425.489 1.425 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1358886037 WNGVPGBOWAXCIO-IAGOWNOFSA-N 436.516 1.938 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1358905090 RORWIJBZCNTLBL-MRXNPFEDSA-N 436.582 1.283 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358954885 ABLWKXLCHNHYMG-UFUQCMIWSA-N 441.557 1.756 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1359033050 NDJHWLBDDZUSFD-UHFFFAOYSA-N 427.512 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CC)CC1 1359041554 AMQNWJZFJZCUBZ-XZOQPEGZSA-N 447.580 1.446 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1359049542 RMWAHIILOJYZRW-HOCLYGCPSA-N 437.595 1.330 30 10 IDEE CCO[C@]12CCC[C@@]1(NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1439925492 IASIUWLCHRRKON-WTOYTKOKSA-N 426.473 1.955 30 10 IDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1464300121 INWFDPXUQAFISZ-UHFFFAOYSA-N 428.479 1.267 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)N3CCOCC3)n[nH]2)c1C 1464775215 QQJKULJDBSGKIJ-LJQANCHMSA-N 426.521 1.930 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1470356260 NCVYJIHHTCAALK-GOSISDBHSA-N 433.557 1.604 30 10 IDEE CN(C)CC#CCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1471035931 PBZHCFUJOPPOGZ-AEFFLSMTSA-N 441.391 1.724 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CCO2)cc1 1472149018 NVALYSPSPVOHFS-FQEVSTJZSA-N 434.500 1.377 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)ccc2c1=O 1472613258 ZDIDNJQKNDRPQY-UHFFFAOYSA-N 426.420 1.622 30 10 IDEE COCC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1504616279 AKWYINOWTQRKTR-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507511937 AWSCLAHAPMBIFH-WBVHZDCISA-N 426.496 1.455 30 10 IDEE C#CCCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1507575856 WMUBEQXAZAAMDW-GCJKJVERSA-N 430.553 1.774 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507630212 UTPPCPWMMNDXFL-MSOLQXFVSA-N 428.562 1.451 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507632882 BFMUSTAGTZVLJA-GOSISDBHSA-N 432.521 1.550 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1508076163 CXZQKGJVQPRIHF-LJQANCHMSA-N 432.488 1.430 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCN(C)C(C)C)CCOC1 1509819030 PTOTWUDPALJFAJ-NZQKXSOJSA-N 445.612 1.835 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C1 1517511458 BPIVACDOGXMXMW-GAJHUEQPSA-N 438.532 1.852 30 10 IDEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1CCC1(O)CCOCC1 1521148718 GCBQBVZDEQIVDE-UHFFFAOYSA-N 439.520 1.987 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(C#N)cs3)CC2)c1 1538517196 IQVNPWWFBLCQAG-UHFFFAOYSA-N 432.527 1.934 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539219433 CHNCKMUMAGNTCU-OALUTQOASA-N 446.577 1.513 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1539220100 PPAVKFKEIKGLNU-MSOLQXFVSA-N 430.578 1.877 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC 1539266078 LSXWWDKPWBYPPE-JTSKRJEESA-N 431.537 1.820 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1539512957 HFOGITFQNWFSEA-HZPDHXFCSA-N 448.593 1.947 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](COC)C1 1539521061 XBXDEJNBZADODX-SFHVURJKSA-N 426.546 1.735 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1541283643 GLGFLSIKMGCULH-RBUKOAKNSA-N 435.532 1.836 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1Cc1ccc(C#N)o1 1541924421 NLDLLYSBMMKTKD-UONOGXRCSA-N 430.490 1.988 30 10 IDEE Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543236148 NQAGVMSQKLJMEW-ZCXUNETKSA-N 445.524 1.606 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)c1 1544088149 SWVMAWIWSZPMOO-KRWDZBQOSA-N 427.544 1.149 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1547250733 KQXPLQKVCTWHFG-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1555270089 ONIIHIGLMOWCMX-INIZCTEOSA-N 436.513 1.319 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CCCO)C1 1555983826 DJSZBFAOHPQJJU-IERDGZPVSA-N 442.499 1.214 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555990300 MVQPGXUNFZXJFE-MRCUWXFGSA-N 432.488 1.530 30 10 IDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1560072516 NOSQWMLCVREBTF-GJZGRUSLSA-N 436.603 1.630 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1 1566140563 AJWZVOXFQLSJFL-MDZDMXLPSA-N 434.452 1.866 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CC[C@@](O)(CC#N)C3)ccc2NC1=O 1570695166 NNSRBVACEVUVDL-VGSWGCGISA-N 428.489 1.955 30 10 IDEE N#C[C@H](NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C1CCCC1 1583395866 SOJYJGRKZKOBQS-IBGZPJMESA-N 444.513 1.773 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(Cl)cc(S(=O)(=O)CC)c2)C1=O 1583578795 JQNDAUNDOXWOAD-UHFFFAOYSA-N 428.850 1.154 30 10 IDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1587635680 RHZXGVBUYQMNLB-LSDHHAIUSA-N 426.514 1.888 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC2([S@](C)=O)CC2)c1 1587697836 YVFVNTAVFHONKW-PMERELPUSA-N 429.546 1.782 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1587898235 LJYTUIZFMAUWMG-SFTDATJTSA-N 441.580 1.861 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1588198880 BDVMPCVESWZQEY-INIZCTEOSA-N 444.598 1.174 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1588646324 IVQHHPSCYFIGOY-NRFANRHFSA-N 449.511 1.932 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CC2)CC1 1588876992 QEKQEKLDLOGPMY-CALCHBBNSA-N 430.553 1.329 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1593763684 OMHPKZMMPJEKTK-LJQANCHMSA-N 446.596 1.683 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1595219754 XNKYPAWPBMBAQE-SJORKVTESA-N 441.598 1.851 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1595576968 DLRVBLKGELBDKD-LPHOPBHVSA-N 440.504 1.271 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595766356 PTZNOPSWYHEJRV-GOSISDBHSA-N 447.561 1.659 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CCCCCO 1612885466 SQBDNMQQRDQOLB-ROUUACIJSA-N 440.552 1.711 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCN(C)C 1613314231 HALGHTHVXVDVOH-GOSISDBHSA-N 426.569 1.963 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1618853025 IBRBIRBSFRNELS-QGZVFWFLSA-N 446.533 1.098 30 10 IDEE C[C@@H](CC(=O)N1CC(=O)N(CCC(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1627812043 HUGBSRYJZLAPSY-NSHDSACASA-N 432.424 1.084 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)ccc1OC 1627826575 GNTHUVBIHZNANQ-CQSZACIVSA-N 433.490 1.137 30 10 IDEE COc1ccccc1-c1ccnc(C2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)n1 1634264419 HQFKHDBXPUMWQL-UHFFFAOYSA-N 446.467 1.692 30 10 IDEE Cn1c(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)sc2n(C)c1=O 1635887636 DWCBENQCDRHVLP-UHFFFAOYSA-N 427.461 1.272 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN([S@@](C)(=N)=O)CC1 1637507345 ZLAIYCXIIVSFKY-OHZJNBGDSA-N 441.579 1.020 30 10 IDEE O=C([C@H]1CCS(=O)(=O)c2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1641858420 YTTAPXWYEPEQNN-KRWDZBQOSA-N 428.466 1.852 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](Cc3cccc(OC)c3)C2)cc1 1642747599 BHAWNAWUPOFOPL-IBGZPJMESA-N 429.542 1.816 30 10 IDEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1644570860 QEODGCCWIDJZHQ-UHFFFAOYSA-N 449.573 1.125 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 1648373539 QSXGQASDUZGEQQ-LJQANCHMSA-N 430.530 1.177 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CCO)C(F)(F)F)nnc12 1651221379 YVMJLSRPUWPAAX-CYBMUJFWSA-N 441.435 1.752 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(c2cc(C#N)c(Br)cn2)CC1 1651475291 HZZCRPBHKGUBDN-UHFFFAOYSA-N 436.335 1.950 30 10 IDEE C=CCN(Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 1658452562 AFOKSTRLYASAAB-MRXNPFEDSA-N 428.514 1.391 30 10 IDEE C#Cc1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1673628944 HHBJBPADAVYMTR-UHFFFAOYSA-N 442.541 1.950 30 10 IDEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1689938233 FFSZKESUGGQALA-UHFFFAOYSA-N 431.562 1.969 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cc(C)cn1 1689966653 YCDDHBQBRAGMFE-QGZVFWFLSA-N 429.525 1.861 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690003262 JAHGABSJQKPCRD-SKPFHBQLSA-N 443.592 1.891 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1690067682 GUWLVJXHTGUQIM-UHFFFAOYSA-N 439.541 1.893 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690117796 WCJMYORQNDYCQZ-QZTJIDSGSA-N 430.940 1.800 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690316120 XQPFVTTYRDXXKS-LJQANCHMSA-N 425.537 1.897 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1OC 1690526956 GYQBZSCALUGQOW-HNNXBMFYSA-N 436.534 1.877 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1cn(C2COC2)nn1 1690573812 FBKGQAYINXZMNT-UHFFFAOYSA-N 442.549 1.882 30 10 IDEE CC(C)N1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1692491080 ABTKCYJVWLWWMA-BWVDKLOVSA-N 443.552 1.577 30 10 IDEE CC(C)N1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1692491081 ABTKCYJVWLWWMA-IDYLYPCZSA-N 443.552 1.577 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C(N)=O)nc2)CCOC1 1692585472 LJJAQPKDTJMIDT-QVKFZJNVSA-N 427.509 1.599 30 10 IDEE CCc1cnc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)s1 1694557944 JAOROEZKXOGSOM-DAYGRLMNSA-N 432.550 1.992 30 10 IDEE CCCN1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)C1 1695362631 CSJBBWUNJZVYEM-DLBZAZTESA-N 443.577 1.730 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1696912943 ASBPVXDCWOGRBW-QLCIJSRNSA-N 444.561 1.458 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)CCO1 1697910112 FFBJVRPOYSYEPH-FQEVSTJZSA-N 428.537 1.921 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1698317228 DPORQQSBJZNDOA-WMZOPIPTSA-N 430.534 1.657 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539110 JMRIMFPVHKHRRW-XMSQKQJNSA-N 431.537 1.171 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 1705569487 DCGKIODGIMUGJE-MRXNPFEDSA-N 432.575 1.861 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705570620 PCIRYYSSIWUYML-SFHVURJKSA-N 446.573 1.665 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1705573757 NCYYZDFWWHKQJN-CQSZACIVSA-N 435.550 1.870 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1705598212 DQWAFRIVEBCFJG-ZWKOTPCHSA-N 426.546 1.417 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2ccnc2C)CC1 1705631830 APSGNRTVLCNCSA-UHFFFAOYSA-N 433.520 1.276 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1705637021 GNTUUZFBUXJXFZ-HXUWFJFHSA-N 436.560 1.504 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)N2CCCC2)CC1 1705644018 FOHSZGHFURIJDM-LJQANCHMSA-N 443.596 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)COCC)CC1 1705647485 HQGFUNGNIWLBAC-UHFFFAOYSA-N 425.537 1.764 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1705754704 DMIFDXGVSUEXJS-UONOGXRCSA-N 433.962 1.367 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2OC)CC1 1705900180 SIRDUTHWCQCTGH-UHFFFAOYSA-N 435.532 1.921 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1705900703 MROCUZKRWNHVPI-PBHICJAKSA-N 439.495 1.771 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1705903083 PMUPLPZUNLSNMD-SFHVURJKSA-N 436.520 1.415 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1705907511 OYUAOGGMVJJNSH-GOEBONIOSA-N 444.561 1.576 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1705932407 SVFKDXBQYISCKG-KRWDZBQOSA-N 443.533 1.332 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705933763 RAMQBQAGYWUGTE-INIZCTEOSA-N 448.549 1.488 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1706020945 BGQNFPGCIFXZPX-GOSISDBHSA-N 442.545 1.499 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706587731 OTSPQYIBHPESOV-IGGDJGDASA-N 441.536 1.735 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1708758367 ZJBFGYRYDMBFAF-DOTOQJQBSA-N 432.525 1.468 30 10 IDEE CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709645657 IAHIIVVLBWMSDU-YSRXLGAZSA-N 443.552 1.634 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1710976057 GFGBZAPPZFBIGE-KRWDZBQOSA-N 430.534 1.308 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1712875422 CBRHQIMQQIIVNH-CKFHNAJUSA-N 441.458 1.027 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1712883848 ATAQGDZQHFOEJL-MRXNPFEDSA-N 439.501 1.047 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1722307207 ZSNCUGRNHHBSPQ-KFWWJZLASA-N 440.570 1.056 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1 1722370430 KMWJFUMDWVXRAX-UHFFFAOYSA-N 446.433 1.971 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(CN(C)CC)c2)CC1 1722437597 HKTDWWFSSRJNLH-UHFFFAOYSA-N 430.560 1.990 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1722456115 ZCPFEUOZOLFFQJ-UHFFFAOYSA-N 435.575 1.398 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722534064 ICMOWGIZKLDCRZ-UHFFFAOYSA-N 448.593 1.717 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1Cc1ccc(C#N)o1 1723962395 YBQCDUQIIWLNAP-CXAGYDPISA-N 446.489 1.572 30 10 IDEE C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1726723188 VNXSMKRMMGTAEP-CYBMUJFWSA-N 439.501 1.449 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729918836 WQQRALMXUYEHLS-YKNSSVCLSA-N 439.520 1.815 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(CCCO)CC1 1731217510 GCRBKHZUERURCG-UFVMTTLYSA-N 444.536 1.297 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740532081 XRCGEMJZDUPWBV-GVDBMIGSSA-N 436.582 1.078 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1740618988 FGXDSVUKBIJXRV-MSOLQXFVSA-N 431.493 1.428 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1740638308 KBEIQJVVOGPWGH-KRWDZBQOSA-N 432.484 1.070 30 10 IDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(N)(=O)=O)cc1 1740776589 UJQIGCRIFRLGMY-UHFFFAOYSA-N 446.577 1.693 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1740941172 DHGVXRWXAPGHGU-QGZVFWFLSA-N 435.550 1.049 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1740963740 VYULDEUMQVTURE-UHFFFAOYSA-N 435.532 1.563 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCOC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740964456 CKWWVESECWHMNX-OWCLPIDISA-N 434.541 1.576 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(C)C)C1 1740995627 RXCRGAVPAJYXPX-KSZLIROESA-N 442.582 1.464 30 10 IDEE CC(C)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1741627255 WOWWAMNIXCPJHS-INIZCTEOSA-N 432.550 1.614 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 1748640309 SLWHFKCEVVIKRR-RCCFBDPRSA-N 444.605 1.793 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748811593 IULFGAAFZLDADM-OAHLLOKOSA-N 442.549 1.295 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1748875505 QLUQVGKXMBLUSA-UHFFFAOYSA-N 444.536 1.173 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1748948519 PXWFEONXELIONB-UHFFFAOYSA-N 438.532 1.259 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749207713 QHDCFOFSLHWJFE-HSZRJFAPSA-N 446.596 1.639 30 10 IDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1749627258 JHFGYXYAKAYDRM-PMACEKPBSA-N 427.549 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC1CC1 1749653239 ZGOGKIPMBBADIO-UHFFFAOYSA-N 431.566 1.695 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749663827 RQWJVXKCHIIWKA-UHFFFAOYSA-N 448.535 1.277 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nnn(C)n2)C1 1749697962 PAYPZFLRWZXTEO-LSDHHAIUSA-N 428.472 1.910 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCCC[C@H]2C1 1749738752 WNZADTOLVBXYAL-IBGZPJMESA-N 447.609 1.415 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H]1F 1750346290 SHXYIGTXVIMOJS-QAPCUYQASA-N 428.468 1.382 30 10 IDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)cnn1C 1751373896 GUAMCSJZIJCZCR-UHFFFAOYSA-N 443.533 1.300 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760358558 WPKSIUGTMNGNFW-DLBZAZTESA-N 432.525 1.141 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1760448197 XWPZDAWDWPMWKN-GOSISDBHSA-N 443.504 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC 1760554011 OMEMRGOQQIPCDR-UHFFFAOYSA-N 426.568 1.295 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1764365696 FZOUQIWSOOGWPS-FMZSFSCUSA-N 444.536 1.704 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)c1 1768809518 CHMHAXPGDJLRLO-SFHVURJKSA-N 433.534 1.897 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1772566602 KJEVQEDODYRTGW-ZACQAIPSSA-N 445.568 1.053 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Cn3nc(-c4ccc5c(c4)OCO5)ccc3=O)CC2)cc1 1849058326 NFWQVEMXEVDPGL-UHFFFAOYSA-N 443.463 1.859 30 10 IDEE O=C(NCC#CCN1CCOCC1)c1cccc(NS(=O)(=O)c2ccccc2F)c1 1850070311 XPDTXNPUAQVYMS-UHFFFAOYSA-N 431.489 1.692 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCCN2CCCS2(=O)=O)CC1 1850387626 CYWVZHDOWULVRD-UHFFFAOYSA-N 427.530 1.475 30 10 IDEE C[C@H]1CC(=NC(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)NN1c1ccc(Cl)cn1 1851177399 MVGCFCDGWPIGEV-XJKSGUPXSA-N 435.937 1.924 30 10 IDEE C=CCN(C(=O)[C@@H]1CS(=O)(=O)CN1C(C)=O)c1ncc(C(F)(F)F)cc1Cl 1851570712 DOOYWOPJRGARAF-LBPRGKRZSA-N 425.816 1.876 30 10 IDEE N#Cc1cc2c(cc1CC(=O)NC[C@@H](c1ccc3c(c1)OCO3)N1CCOCC1)OCO2 1853327797 NVODPJJZAPYRKG-SFHVURJKSA-N 437.452 1.748 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2)cc1 1858961871 UCYPRGHWQRCSMN-UHFFFAOYSA-N 432.454 1.682 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1869032491 QFHZRHHWWWREBX-QGZVFWFLSA-N 425.576 1.695 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3-c3ccc4c(c3)OCO4)CC2=O)cc1 1870159895 VGDXVSOBYAHMBC-ZDUSSCGKSA-N 446.423 1.868 30 10 IDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(NCCCN3CCOCC3)ncnc21 1875230061 NEVBKJCFUFFHGD-UHFFFAOYSA-N 441.580 1.529 30 10 IDEE C#CCNC(=O)CCNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2014934833 NVIAFNPZCXHCIG-QHCPKHFHSA-N 428.533 1.412 30 10 IDEE C=C(CS(=O)(=O)NCC1(OC)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247896580 ZVRFEJNUUPQDDL-UHFFFAOYSA-N 446.375 1.729 30 10 IDEE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248404014 JPEKZIOBVMEOKP-DGCLKSJQSA-N 441.359 1.505 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CCO)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255529478 LCANJEBFKJBHOC-UHFFFAOYSA-N 438.330 1.928 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256882233 HOLPBASRNICAEP-LSDHHAIUSA-N 437.321 1.984 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267116204 NCKWIKRCBBZLIL-FUHWJXTLSA-N 439.369 1.755 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1Cc1ccccc1 2267119393 VSJJHJWFSUWNLM-FUHWJXTLSA-N 439.369 1.897 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1COCCN1Cc1ccccc1 2267280340 OUJRPHDRMNGMEJ-FQEVSTJZSA-N 439.365 1.955 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2267606996 GPZTWTZOCTYIJX-IRXDYDNUSA-N 437.353 1.365 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303112997 XKNJJGSDRIKJSM-RBZFPXEDSA-N 425.335 1.840 30 10 IDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1cc(Br)c(OC)c(OC)c1 2323791122 OYPWVTCHOWWLDY-DZGCQCFKSA-N 439.306 1.744 30 10 IDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2367820291 QPYUFGDVFNVIHZ-LVIWNVNYSA-N 434.558 1.755 30 10 IDEE CS(=O)(=O)C1(C#CC(=O)[C@H](O)c2cc(Br)c(Br)o2)CC1 2367840744 AEYBXVCFLMWBKP-JTQLQIEISA-N 426.082 1.988 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc(OC)ccc3O)n2N)cc1 20527440 MVEDNTSRYVWODG-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE O=[N+]([O-])c1ccccc1/C=C/C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 254439291 LZUOZPUHUVLPIK-RRLFHQMWSA-N 440.464 1.564 30 10 IDEE CC(C)(C)OC(=O)N1CCN2/C(=N/CCCN3C(=O)COc4ccccc43)NC[C@H]2C1 305017491 MLWADRMZXABYKH-INIZCTEOSA-N 429.521 1.683 30 10 IDEE CC(=O)N[C@@](C)(C(=O)NCCOc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 430675984 GYVWFZCGYGYEPU-OAQYLSRUSA-N 429.498 1.508 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 435426898 KKJGBFQHPBNWFD-UHFFFAOYSA-N 426.545 1.039 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]([C@@H]3CCOC3)C2)CC1 441219296 WUSVGLBMAGDGEM-VQTJNVASSA-N 446.573 1.140 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1C#N 443947583 ONWPIWVLPLDNRR-UHFFFAOYSA-N 430.511 1.434 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCSC[C@H]3CCO)ccc21 471002419 ZDRIIDZJQPPBOG-QGZVFWFLSA-N 430.530 1.534 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 509680244 QRIBCOGFYALEGZ-UHFFFAOYSA-N 425.283 1.726 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2)nc1 517663921 NEAHVFYUNODHDK-UHFFFAOYSA-N 435.484 1.362 30 10 IDEE N#CC1(CS(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCCC1 546778206 VYHMVYBNMFXSHN-KRWDZBQOSA-N 434.566 1.285 30 10 IDEE CCNC(=O)C[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 556517463 CEYBSZQCBOOXQE-RTWAWAEBSA-N 429.540 1.915 30 10 IDEE C=CCN(CC=C)C(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 585955197 QHCKXVRASCQKKF-UHFFFAOYSA-N 434.562 1.925 30 10 IDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610134446 QNXOVUXWUWEYTJ-UHFFFAOYSA-N 430.511 1.434 30 10 IDEE CN(C)CCn1cc(NC(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 610870635 KMVPNIWKDRQWTD-UHFFFAOYSA-N 437.504 1.132 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 732152413 BATKHVMFPHZVJL-DPPKGPFUSA-N 426.473 1.820 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 743107653 ACKCDPMEJSWRDB-QXOCDPQASA-N 433.534 1.630 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 746264346 FMHAZEUEUSJOHS-MGPWXQLLSA-N 436.390 1.843 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1-c1ccccc1C#N 752191845 YRUOIHSFESXUMO-UHFFFAOYSA-N 449.561 1.819 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1 768512883 KBRYQFOGGYWHFW-QUCCMNQESA-N 445.928 1.953 30 10 IDEE Cn1nccc1CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 769332156 OHICTTOVHBZFPM-MRXNPFEDSA-N 425.489 1.875 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)C1 772339152 FULKRHDVEKMWOJ-HNNXBMFYSA-N 448.545 1.726 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccnc(C#N)c1 795972107 XXRDXRGEZGOUHI-GFCCVEGCSA-N 432.458 1.396 30 10 IDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800772852 SZYFTHOYVXRSGA-LJQANCHMSA-N 446.577 1.849 30 10 IDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 800780779 IFSKMTWMDKNYJC-OAHLLOKOSA-N 438.492 1.680 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 804446283 CKHZRAXIXIZPKA-TWMRLEJJSA-N 437.544 1.322 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(-c3ccc(F)cc3)c2=O)cn1 839203007 MAMGHNJITUTGNR-UHFFFAOYSA-N 449.467 1.184 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3ccc(CN(C)C4CC4)cc3s2)C1=O 1130800692 AOOAHBZGDJZSDA-UHFFFAOYSA-N 427.486 1.806 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 1137114996 WJOARUPUTOUSHA-KGLIPLIRSA-N 425.917 1.986 30 10 IDEE COc1ccc(CN2CCC(CNC(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1142662214 AGNUSIXTCQZPPW-UHFFFAOYSA-N 425.489 1.248 30 10 IDEE COc1cc(C(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc(OC)c1OC 1146214427 RBGOOSZVNZYBNL-KRWDZBQOSA-N 427.457 1.506 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(CO)(NCC4CC4)CC3)C2=O)cc1 1183868472 VTZIUPCZDNADMS-LJQANCHMSA-N 439.516 1.116 30 10 IDEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C#N)n1 1184766234 BDBYXXOWGRRLOU-UHFFFAOYSA-N 426.498 1.739 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)OC 1193574702 UBXRLZLZPZQHGW-LBPRGKRZSA-N 440.337 1.639 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cn(-c3ccccc3)nc2C(C)C)CC1 1223720444 HTXBDRTZHRVFNH-UHFFFAOYSA-N 444.561 1.291 30 10 IDEE C#C[C@H](NC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)C1CCOCC1 1223902536 SSSQQKWIRQPOHG-PMACEKPBSA-N 429.517 1.588 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286386953 KNLNANDLFRCFPQ-SFHVURJKSA-N 441.561 1.277 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1286467367 OVZGLFKEEISCDS-ROUUACIJSA-N 446.577 1.349 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286592500 ITZWUEFCFLGZPN-AWEZNQCLSA-N 435.510 1.703 30 10 IDEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1286620071 FYCGQTGLHWSNMA-UHFFFAOYSA-N 444.344 1.849 30 10 IDEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(C)(=O)=O 1286725358 RSVLLRJEXIEUSJ-UHFFFAOYSA-N 442.586 1.564 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@H]1C 1286741292 GALVQCKUIZVDCD-NVVBAYIOSA-N 436.516 1.833 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286789496 HHVMYEXRUVOJDN-OAHLLOKOSA-N 447.565 1.651 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286792542 BBRLAFBGWOHKEA-UHFFFAOYSA-N 429.481 1.352 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCO[C@H](C)C2)C1 1286808536 LVAHQFYKBIXMRR-QRVBRYPASA-N 432.569 1.511 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1286832540 VJRWHAHLOZXMCZ-HOTGVXAUSA-N 445.611 1.003 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(C)COC1 1288886562 ULXVYUPWPWUDHY-NXHRZFHOSA-N 444.561 1.668 30 10 IDEE C=CCn1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)nn1 1289462848 MAFDEEQQSZWVLK-CQSZACIVSA-N 437.241 1.382 30 10 IDEE C[C@@H]1CSCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1291314218 WWWDWYGXNBEMNY-MVZUJROASA-N 439.545 1.732 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1299151379 HNHRLZBKPCURRC-IBGZPJMESA-N 436.472 1.364 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N[C@H](C)CC 1300459463 DEAGZGJTRMAGNQ-OAHLLOKOSA-N 431.566 1.612 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1300491725 IHKAGYSLQQMMJA-OAHLLOKOSA-N 432.550 1.135 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1300578274 KETQZHXWSQEUKW-VQTJNVASSA-N 447.605 1.144 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCc1nnc2n1CCCCC2 1300673588 QVVGWZGPPVQATJ-UHFFFAOYSA-N 434.548 1.911 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300723051 PGKDFLOTFDOVET-UHFFFAOYSA-N 447.605 1.869 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1300904302 LUMUTEQEFLIHGG-FQEVSTJZSA-N 436.516 1.893 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301220286 TUMXTCJSBRVURE-QGZVFWFLSA-N 442.501 1.623 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)CC1=O 1301889833 DVQVYJMTLGLHCL-QGZVFWFLSA-N 426.546 1.865 30 10 IDEE CC(C)CC(=O)N1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1302721172 LMXSJAITKOJDNR-LJQANCHMSA-N 439.516 1.870 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1306044467 ACCHKIWIDWHCJU-GJZGRUSLSA-N 433.582 1.825 30 10 IDEE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893511 XCWOAOFGYRJMBJ-UHFFFAOYSA-N 427.369 1.884 30 10 IDEE COC[C@]1(C(=O)OC)CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1307958197 RZYQQDFKIPQQSD-UWJYYQICSA-N 434.562 1.501 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 1312093884 SDORDBQGUGJLEY-KRWDZBQOSA-N 438.619 1.862 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 1312626931 QOVMRVTZGGPPJO-JSXRDJHFSA-N 442.516 1.264 30 10 IDEE CN(C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1314671715 VIANOJSCELDDGT-UHFFFAOYSA-N 435.536 1.445 30 10 IDEE CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3C=C[C@H]2N(C(=O)OC)C3)c(C#N)cn1CCOC 1354104288 DHWVACZYERRLOT-VNQPRFMTSA-N 430.461 1.764 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358898400 RLYVVSLURUXCON-HZPDHXFCSA-N 435.525 1.736 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1358961225 UPTMCQSFNNILFX-LSDHHAIUSA-N 437.616 1.749 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1358963362 GPRAEVGGWQEHDF-INIZCTEOSA-N 448.593 1.456 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1358979122 CRFQSBIQYIBGCM-OAQYLSRUSA-N 435.528 1.974 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2F)C1 1359023178 CDZZZVIARDMGDS-PKOBYXMFSA-N 440.523 1.981 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCC(=O)NC2CC2)CC1 1359039345 FGPHDFAMSKQWOD-UHFFFAOYSA-N 440.523 1.810 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1359300227 WUXFGBQEZLJKPA-AWEZNQCLSA-N 448.465 1.844 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359493231 KSPXKMVMULEYFZ-AEFFLSMTSA-N 429.569 1.511 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1360476482 MVZSRXHOKZWPTC-DOMZBBRYSA-N 427.900 1.906 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OCC 1454708124 CMCAYVJJIYPTNI-UONOGXRCSA-N 430.288 1.504 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1464507669 SVQCIGBIYOQXNK-ULQDDVLXSA-N 428.551 1.488 30 10 IDEE CN(C)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1469772095 RPBIJSJVSHGWDX-JQHMZKTJSA-N 433.553 1.006 30 10 IDEE C=CCN1CC[C@@H](N2CCNC(=O)[C@H]2c2ccc(I)cc2)C1=O 1473853745 JOJVZAMRUFMDBR-HUUCEWRRSA-N 425.270 1.551 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1501566890 UBOBTQZAQKIPSK-UTKZUKDTSA-N 442.545 1.308 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CCO1 1503770276 DSSIQSBJVRTMHK-VGSWGCGISA-N 436.472 1.269 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1504814995 JEZCOERYJQQJOV-UHFFFAOYSA-N 432.550 1.020 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1507731257 DONUVXGZUOPQKO-MRXNPFEDSA-N 449.481 1.979 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1508092263 AURPRYZENRKTQM-UHFFFAOYSA-N 430.509 1.289 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCOC2)C1 1508112738 BXXRVTOENAYAST-KBXCAEBGSA-N 438.326 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1508148003 DZHALAFNLFFDRI-FCEWJHQRSA-N 444.623 1.861 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C 1508410167 DHWCDCBQBHZQOZ-OAHLLOKOSA-N 442.549 1.822 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1509944649 ATVINZZODNPFPH-HNNXBMFYSA-N 435.525 1.686 30 10 IDEE Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)c(=O)n1C 1510896821 DQWCNCKAKGJUSP-AWEZNQCLSA-N 439.545 1.921 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC(C)(C)O1 1512418314 DPXKGMJPVROWBO-MRXNPFEDSA-N 436.520 1.995 30 10 IDEE CCO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1516105968 HTPWGMQZDYETFY-HRCADAONSA-N 428.559 1.068 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1517702256 NJKZLWYMBJGUER-UHFFFAOYSA-N 439.520 1.867 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CCO1 1518942202 MAGNVOYPYOMJAP-VQTJNVASSA-N 425.489 1.925 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1519390340 UVGRIMHNPOULIA-UHFFFAOYSA-N 433.534 1.495 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@H]2CO)CCO1 1521137312 NTGZLGZLXBTGBI-PMACEKPBSA-N 425.537 1.230 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)C1=O 1536644582 QZNBERNMYBGFHL-UHFFFAOYSA-N 436.509 1.649 30 10 IDEE Cn1nc2c(c1C(=O)NC1CCC(Oc3ncccc3C#N)CC1)CS(=O)(=O)CC2 1537738071 XHWFCEJPDWWNGL-UHFFFAOYSA-N 429.502 1.278 30 10 IDEE N#C[C@]12CN(C(=O)c3ncc(Br)cc3Br)C[C@H]1CS(=O)(=O)C2 1538765024 DIGVOTDPADCWPF-ISVAXAHUSA-N 449.124 1.617 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1539124822 IDPGJSHLOHINOX-WMZOPIPTSA-N 437.566 1.030 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539318564 TXGRCFMWABHFGN-MSOLQXFVSA-N 447.547 1.193 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2)CC1 1539466850 IBWZDGPFKOLENK-MRXNPFEDSA-N 430.578 1.233 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN2CCCO)CC1 1539468956 KNFPLQSVUGLFPV-UYAOXDASSA-N 430.597 1.604 30 10 IDEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)CC1 1539960435 AGXBSEUMXVQMKC-UHFFFAOYSA-N 431.566 1.921 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCN(C)C(=O)C1 1540864558 DJYKWSOPOYMQHZ-CQSZACIVSA-N 428.562 1.712 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OCC)CC1 1540876200 KKYOMOQPWFJHTF-SJLPKXTDSA-N 448.568 1.777 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1540903121 YVPZNOPCPKGYLB-RBUKOAKNSA-N 443.573 1.899 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1540922718 WODOATGFZHBTPQ-OXQOHEQNSA-N 436.582 1.405 30 10 IDEE CC1=CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1542816022 JQQHMERFQBVKGB-VXPUYCOJSA-N 425.493 1.083 30 10 IDEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)CC1 1546144141 DVOKFJPFXZJPFO-KRWDZBQOSA-N 436.582 1.931 30 10 IDEE COC(=O)[C@@H]1CSCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1558387423 FRLJFCAAYUPAQC-HNNXBMFYSA-N 439.559 1.403 30 10 IDEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1558806025 BDNBXNWHTLDSSR-UHFFFAOYSA-N 439.472 1.585 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 1564300346 HPICCAVRCHEVCQ-KRWDZBQOSA-N 430.505 1.766 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1587567030 AIJZYMPMOLCTMK-MBSDFSHPSA-N 440.548 1.668 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnc1C 1588124625 OZGZJMMNWXFLTE-UHFFFAOYSA-N 440.511 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCSC1 1588200142 DVBLKINPVBFEGZ-NRFANRHFSA-N 434.529 1.252 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCS(=O)(=O)NC 1588481473 JYRBBJSRONVZAL-UHFFFAOYSA-N 428.493 1.668 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1593740839 GBQYFDHJQGBRFU-OALUTQOASA-N 432.569 1.371 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1595784907 MZRNYKDVIWGNJM-UHFFFAOYSA-N 448.593 1.579 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)OCc3cn(C[C@H]4CCOC4)nn3)CC2=O)cc1Cl 1597905297 HHNMLSLQFOJVMQ-HIFRSBDPSA-N 429.864 1.936 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1617028226 FCKPTSDJGBXGIX-SFHVURJKSA-N 444.561 1.715 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1618252526 SQMHWSVFDZUJEO-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1618595069 BUGAWNHJQYMPFF-QFIPXVFZSA-N 426.521 1.854 30 10 IDEE COCCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1619871684 XGKWOSPKDPOKMF-QURGRASLSA-N 449.515 1.959 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCOCC(F)F)cc1 1620350545 LHZZVTCNXPICGZ-INIZCTEOSA-N 431.447 1.702 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 1622855564 SXGZPJKXGIAHQI-UHFFFAOYSA-N 437.518 1.098 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N(CC=C)CC=C)cc2)CC1 1622964909 VTMPSKMNJUWXHB-UHFFFAOYSA-N 445.545 1.118 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)CCS2(=O)=O 1627429625 GGBOGILKRMXCOW-CXJKMVGQSA-N 436.505 1.990 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC1 1629952699 OIURHDNFWYDJSD-OAQYLSRUSA-N 447.605 1.254 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC 1631305031 IBENVIVZVZOXFJ-IHRRRGAJSA-N 432.901 1.976 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1632770159 WSWDMGGBYPWTLH-IEGUWTFLSA-N 442.516 1.930 30 10 IDEE Cc1ccc(C(=O)NCc2nn(C)cc2Br)cc1S(=O)(=O)NCC#N 1637018094 HZMPSDGXQFDZOZ-UHFFFAOYSA-N 426.296 1.223 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2nncn2C)C1 1637065948 GQRWSPSSOBGJDZ-HOCLYGCPSA-N 430.534 1.284 30 10 IDEE C#CC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1)C(=O)OC 1637696629 GYXQDKIMXNILBJ-HOCLYGCPSA-N 444.347 1.724 30 10 IDEE CN1C[C@@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1641930957 PFMMQWWWEFTKPN-SFHVURJKSA-N 427.505 1.737 30 10 IDEE C#CC1(O)CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1646157293 LSNKKUAXHXRIDX-JOCHJYFZSA-N 431.492 1.487 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1648714771 FNALAERVKUYMKF-JOCHJYFZSA-N 440.525 1.800 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCc4c(CC(N)=O)cccc4C3)C2=O)cc1 1682227988 XTQOQRHSMUGUPZ-NRFANRHFSA-N 431.496 1.455 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCN3Cc4ccccc4OCC3=O)C2)nc1 1687574524 LQRUKQXTSRUPSY-IBGZPJMESA-N 434.500 1.960 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1689853833 ZESQDUUMJBGWNS-HKUYNNGSSA-N 446.577 1.205 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1689987896 DZZXSTXMLRQIII-MRXNPFEDSA-N 432.550 1.425 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690181146 PKXKICNVBWUEHD-UHFFFAOYSA-N 430.622 1.732 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690465397 ZHDFKIOBXZAUCS-QFBILLFUSA-N 442.607 1.552 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc2c(c1)OCCO2 1690622190 JWZXJPMWRRZTQZ-QGZVFWFLSA-N 427.505 1.882 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690663391 VDWKCANAYPHDPL-KRWDZBQOSA-N 428.537 1.413 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]1c1nncn1C 1690674799 FYIZFBUDXCUBSP-GOSISDBHSA-N 436.520 1.672 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690677540 ZOLLOEAMRNNOKL-AQKKSAQBSA-N 441.532 1.765 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CCO1 1694930691 DWGKGPBLSFWUEZ-OAQYLSRUSA-N 437.548 1.596 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696591178 CTVILLXRBJJTIC-UHFFFAOYSA-N 435.463 1.631 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOCC1 1705489635 SRZHHUZSJMXUGG-QGZVFWFLSA-N 445.593 1.418 30 10 IDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705529728 MKHAKUAWEPRYSI-UHFFFAOYSA-N 443.533 1.337 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C(C)C)N1CCOCC1 1705555849 BWQQMPHCIFAEKR-QGZVFWFLSA-N 430.578 1.696 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705580509 LDXLWZSJSFWUGZ-IEBWSBKVSA-N 439.545 1.012 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1705603312 SHAPRIQHZAMFSX-MRXNPFEDSA-N 447.490 1.741 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1705623368 PIPREJYYRHRLTH-UHFFFAOYSA-N 439.483 1.927 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1C 1705628472 HYZJKHSUBPQIKS-GOSISDBHSA-N 434.537 1.956 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705869420 UWLYKZFQDQEYSB-UHFFFAOYSA-N 444.561 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705896922 BYJUZQRTBHKDPR-LHSJRXKWSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705899874 JMIMGHSQKXMVSP-HKUYNNGSSA-N 440.548 1.413 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)C1 1705924258 BLVAZAWNCZMISB-QZTJIDSGSA-N 439.582 1.583 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCOCCCO)o1 1707367499 VRPMJLMKVIFRIL-UHFFFAOYSA-N 437.504 1.839 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)OC 1712152404 BVKIHEFEUOSFAM-GTCCEBARSA-N 427.505 1.862 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H]2CCOC2)CC1=O 1712468443 DDBLSDBEUPTDGI-RBUKOAKNSA-N 438.532 1.784 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(F)F)C1 1712912661 CZECDYXOYHKHCP-LAVFMPCWSA-N 444.446 1.743 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722323615 GDEFWGDDOYHURQ-KRWDZBQOSA-N 441.923 1.489 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1722363816 VUDONDNRFRSAGM-FQEVSTJZSA-N 441.557 1.996 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ncnn1-c1ccccc1 1722428408 YTEUPDWVGCJJCW-UHFFFAOYSA-N 434.504 1.116 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(CCOC)CC2)CC1 1722431099 LXISHORRETZINO-QHCPKHFHSA-N 431.581 1.891 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COC)CC1 1722583978 XBGXWTVWPAWNTD-KRWDZBQOSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](COC)C1 1722698693 KMMVMYJDNCIYAD-LPHOPBHVSA-N 427.505 1.956 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723019184 TXPPUABEJCFZDO-UHFFFAOYSA-N 430.534 1.904 30 10 IDEE CC(C)=CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1723049484 SKSJIFFVDPFQHP-IAGOWNOFSA-N 435.536 1.962 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1729619402 HVDSJEAEQNSQNF-QGZVFWFLSA-N 439.564 1.746 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1730200801 DRAGDZDIVJIWGU-ZWKOTPCHSA-N 440.504 1.509 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1740616309 YNNULOCICWTHDC-INIZCTEOSA-N 433.559 1.251 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC1 1740663875 AUCLIHJBMHRYFX-UHFFFAOYSA-N 430.578 1.751 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCS(C)(=O)=O 1740752674 ZIAJGPOHUYSAPY-RDJZCZTQSA-N 448.549 1.387 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1740788266 QRYJPZMKHTUTCR-SFHVURJKSA-N 448.593 1.808 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740879258 IPYFZKUUKRJEIA-SFHVURJKSA-N 429.569 1.110 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)C)CC1 1740963237 FEKXGABGTFIQMH-UHFFFAOYSA-N 437.548 1.998 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](Oc2ccccn2)C1 1740965373 ICDRQUCKNQNVOK-ZWOKBUDYSA-N 442.520 1.357 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCNC(=O)C3)nnc2[C@@]2(OCC)CCOC2)cc1 1740969308 XFIYRPJXJMRSSS-JOCHJYFZSA-N 427.505 1.480 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ncccc2N(C)C)C1 1740970483 MKQHJBDJDCHOCU-KRWDZBQOSA-N 425.537 1.805 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N2CCOCC2)C1 1740983849 QWXMHMKURRFYIL-SFHVURJKSA-N 446.577 1.664 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(Nc2cccnn2)CC1 1740990345 RHYXMKIVBJFLRI-UHFFFAOYSA-N 442.549 1.745 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCCO1 1740992314 DLGUUXGUPWRPLL-GOSISDBHSA-N 444.561 1.733 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1741001962 FDVGTBXNGMZARO-HZPDHXFCSA-N 437.595 1.532 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cc1 1741063679 HJQFBOTXKASPCB-UZLBHIALSA-N 446.508 1.629 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1745343134 RASUZBHHDPYAKC-UDJKBAMHSA-N 425.493 1.805 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1745793653 APMDUENRATXEFA-MRXNPFEDSA-N 428.493 1.607 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1745888157 BPLHJDCWKYFMPS-LJQANCHMSA-N 433.516 1.873 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1748963063 XKFCNDWNZJQYPP-SIKLNZKXSA-N 449.621 1.466 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCN(CC)CC2)CC1 1748983711 ZQPWJIVBWRPLJB-UHFFFAOYSA-N 425.581 1.629 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1749591158 MNZQLUYVCWZCGU-IAGOWNOFSA-N 426.521 1.972 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749660375 OEFKTWHGCUGDEQ-RBUKOAKNSA-N 427.505 1.640 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccccc2OC)C1 1749678003 RUIUPCPHCMOBNJ-QGZVFWFLSA-N 438.532 1.705 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCCC2)C1 1749707384 VZXVGDJTQJNXSE-KRWDZBQOSA-N 434.566 1.817 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2)C1 1749731257 ABIFKRYJQZRNNK-MSOLQXFVSA-N 445.545 1.408 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760137205 GRFHMNPKKACEST-QGZVFWFLSA-N 429.525 1.437 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760157451 PLJGJZRQCHMGFM-UYAOXDASSA-N 441.580 1.921 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1760179094 MAOAACNKPVYMTL-QGZVFWFLSA-N 445.545 1.399 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1nncn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760182690 LEZYUBVMVNYMOQ-GOSISDBHSA-N 439.545 1.657 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1760201857 KZMBGHOBFKMVIS-UHFFFAOYSA-N 431.500 1.226 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1760210114 MRUIYSCFWIGFQO-QGZVFWFLSA-N 439.545 1.356 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760238895 OJRQVEUXMQVEKX-KZNAEPCWSA-N 437.610 1.938 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760272780 VQWMYYHHROVXGO-DLBZAZTESA-N 425.562 1.965 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760287630 ZFNBAVVDWUMVTP-YZGWKJHDSA-N 446.621 1.485 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC=C 1760294387 VIPVOEROOZUZBL-HXUWFJFHSA-N 431.518 1.599 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1760321643 ISNIMFAWFWXPNG-FHWLQOOXSA-N 437.610 1.692 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1760361539 MOPWQKRKRVKUON-LAUBAEHRSA-N 434.541 1.079 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1761282024 AOTODJAXHIOUMQ-YADHBBJMSA-N 430.553 1.927 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761898606 PGCRFXOYDKKRCW-QQMHEVNUSA-N 427.553 1.850 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1762700999 RQOCNDACGLYJJH-RHSMWYFYSA-N 446.458 1.820 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1766167695 WXQWSPSCCKGQIE-LJQANCHMSA-N 447.561 1.883 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1767894985 HKVASXBRWWIUFG-QGZVFWFLSA-N 438.532 1.927 30 10 IDEE COC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1767966955 ICZKHIIDOCXTPT-OAHLLOKOSA-N 441.540 1.218 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C[C@H]1O 1769449288 MAHIALNGHAOZOS-UTRMSSBJSA-N 425.489 1.602 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1771198532 JQNDRNWPBRTDDZ-UZLBHIALSA-N 439.582 1.957 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCn2cncn2)c1 1771343599 FDKGYQOPJJBCLU-UHFFFAOYSA-N 426.506 1.380 30 10 IDEE N#Cc1ccnc(OCC2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c1 1849810274 DVCDLPAGWNDWDW-GOSISDBHSA-N 432.546 1.775 30 10 IDEE C#CCOc1ccccc1C(=O)N1CCN(c2nccc(-c3noc(COC)n3)n2)CC1 1851697311 LFROFLULEJPQPD-UHFFFAOYSA-N 434.456 1.647 30 10 IDEE CN1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1851735539 NHFQDLGYLOADSJ-FQEVSTJZSA-N 446.960 1.875 30 10 IDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)C1CN(C(=O)COc2ccccc2F)C1 1853042568 GHPQQSOTOTVHQI-UHFFFAOYSA-N 425.342 1.932 30 10 IDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1)CC2 1857213125 CPNPMWOXEKQMOJ-HOCLYGCPSA-N 428.924 1.567 30 10 IDEE Cn1cccc(C(=O)Nc2ccc(C(=O)NCC(=O)Nc3ccc(C#N)cc3)cc2)c1=O 1860883411 KHUUJXYYGOQGSM-UHFFFAOYSA-N 429.436 1.878 30 10 IDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)c1 1870155409 LLMHPYWLHKUSJS-UHFFFAOYSA-N 445.395 1.899 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCC)cn1CCN1CCOCC1 1870516406 JCETTZFVNHEKPR-UHFFFAOYSA-N 446.592 1.650 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 1873724319 LGKRTZGNKQYAFY-UHFFFAOYSA-N 426.542 1.926 30 10 IDEE NC(=O)CSc1nncn1/N=C/c1cc(Br)cc(Br)c1O 1874537754 VBPAOBXOQGBXGI-HQYXKAPLSA-N 435.101 1.968 30 10 IDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232127 AOPZDJDVCPATJL-UHFFFAOYSA-N 443.533 1.112 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)CCCn3ccccc3=O)CC2)CC1 1890058697 AWMCJGKACFDXMZ-UHFFFAOYSA-N 428.577 1.277 30 10 IDEE COc1ccc(O[C@@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890229108 QXCMZQWXIMVQGT-FQEVSTJZSA-N 429.561 1.721 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247773626 MDRMWWPVBQINNZ-HUUCEWRRSA-N 438.355 1.757 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@H]3OCc3ccccc3)[nH]n2)OC1(C)C 2255626609 IATUUFIHEHPHQK-FUHWJXTLSA-N 427.310 1.813 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CC(OCc2ccccc2)C1 2255873821 OLBUVBDTSPISSY-UHFFFAOYSA-N 426.326 1.934 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256619447 YTWKWAFBCVITMO-KRWDZBQOSA-N 434.342 1.530 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2257590979 TYCABLCQKIVBEF-AWEZNQCLSA-N 438.330 1.927 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)n1 2267196743 GMRVPGHZBKKKHB-JOCHJYFZSA-N 446.357 1.945 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)n1 2267492748 VJGHUTDAPZUWRH-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267535919 DMKGDSIOOSEZTN-FVQBIDKESA-N 444.341 1.761 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 2267608272 VEIHTRWXUCXIDM-CQSZACIVSA-N 449.361 1.491 30 10 IDEE CCOc1ccc(/C=N/Nc2nnc(Sc3nc4c([nH]3)c(=O)n(C)c(=O)n4C)[nH]2)cc1 105377643 UNKQDWACUPMTQL-DJKKODMXSA-N 441.477 1.074 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1C(F)(F)F 409535154 HBYPEZOYUQMZAY-CYBMUJFWSA-N 431.436 1.837 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cc(C(N)=O)co3)nnc12 428680853 DQENRIYNFLRJMQ-UHFFFAOYSA-N 438.469 1.331 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 433224648 BQVLZWFAGIHZFV-PGRDOPGGSA-N 439.516 1.011 30 10 IDEE COCCCN(C(=O)c1cc(C#N)cn1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 433493412 KANWWRGXAWGVGT-UHFFFAOYSA-N 436.472 1.473 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc3cc(Br)ccc3n2CC)C1=O 483072014 VUNPKPJZBBXEIZ-UHFFFAOYSA-N 448.277 1.412 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@H]3CCCO3)c2=O)o1 484542236 MFGXBPUFKJSRJF-MRXNPFEDSA-N 445.566 1.069 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 507482256 FBKFQMVXKTZOLP-UHFFFAOYSA-N 447.542 1.762 30 10 IDEE C=CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508802511 RFDASHYZIRTLBD-UHFFFAOYSA-N 432.506 1.836 30 10 IDEE CCc1c(C(=O)NCCSCc2ccccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 513808377 RPVRMRLWLBKWQT-UHFFFAOYSA-N 437.525 1.729 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4ccc(S(=O)(=O)N(C)C)cc43)cc2C1=O 524547462 RMBNVFPOOLOCRP-UHFFFAOYSA-N 439.493 1.922 30 10 IDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 541414784 CXLGQRYYLYGVLH-UHFFFAOYSA-N 439.394 1.933 30 10 IDEE C=CCn1c(Cc2noc(-c3cccc(S(=O)(=O)CC)c3)n2)nnc1N1CCOCC1 545649733 ZZEGRULRJWXQEH-UHFFFAOYSA-N 444.517 1.735 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)n1 546884677 SUKQPLHDFOPFST-HXUWFJFHSA-N 439.541 1.710 30 10 IDEE C=C(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(F)(F)Oc1ccccc1 549300012 VFUXILOOKUJMOL-CQSZACIVSA-N 432.431 1.130 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 555253576 LYSDZIZYGHJVGZ-DLBZAZTESA-N 427.571 1.440 30 10 IDEE COc1cc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)ccc1C#N 568458419 DINHCZRCVQRBCN-UHFFFAOYSA-N 429.502 1.246 30 10 IDEE CN1C(=O)C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 576913066 FUNCPAPYLLGYCV-FXAWDEMLSA-N 446.916 1.578 30 10 IDEE COc1cc2nc(C(=O)N3CCN(c4ncccc4C#N)CC3)c(=O)n(C)c2cc1OC 590415075 MQSWUFOINQWTOD-UHFFFAOYSA-N 434.456 1.180 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2c(C)cc(C)nc2O)C1=O 726398930 APEFJCUICVVKOQ-MRXNPFEDSA-N 441.513 1.771 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccccc1C#N 743726199 ILBVXVDVKQRDEW-UHFFFAOYSA-N 435.534 1.565 30 10 IDEE C#CCOc1ccc(C(=O)NS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cc1 747319049 XHVGVUGAXCXAKC-UHFFFAOYSA-N 426.454 1.525 30 10 IDEE NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 758312489 AOHXWSLCZDHGFK-NVXWUHKLSA-N 434.562 1.836 30 10 IDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758646529 YVHUDSKJLHZCLK-BXYJRTLCSA-N 435.502 1.910 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1 780210745 TVLDVNLLDAKKLO-FQEVSTJZSA-N 439.493 1.963 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(=O)n(CC)c(S)nc3c2)n1 790104446 BBNFFAZSPMTHNJ-UHFFFAOYSA-N 425.514 1.824 30 10 IDEE C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 805756315 YCORUDMYUTTWED-MRXNPFEDSA-N 427.523 1.660 30 10 IDEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1)c1cccs1 807940134 DNMKBKPOKXUMPT-XZJRUDNNSA-N 449.606 1.506 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCC[C@@H](C(F)(F)F)N3)CC2)o1 808604885 MIEXRGWKZLXWKD-OCCSQVGLSA-N 429.399 1.120 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21)[C@H]1CCCO1 811185521 NKTYKGGFGDUXHP-GAQMSEJYSA-N 430.504 1.763 30 10 IDEE C[C@H](OC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)N1CCN(C(=O)c2ccco2)CC1 914595014 QALTYPMDVQSJEK-JKSUJKDBSA-N 425.441 1.835 30 10 IDEE CSc1nc(O)c(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 919754559 VLLYLTBZXSACTJ-UHFFFAOYSA-N 449.533 1.532 30 10 IDEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)c1C 1083946896 REPJOYJTPKCNMA-UHFFFAOYSA-N 439.549 1.846 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H](C)NC(=O)Cn3cnnn3)c2)c1 1141290720 HKYKSYVSNVOHLJ-OAHLLOKOSA-N 432.440 1.003 30 10 IDEE CN(C)CC#CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1151236404 IYLGEYXQAQUQCC-NRFANRHFSA-N 429.517 1.623 30 10 IDEE C#CCNC(=O)CN1CCN(Cc2cc(Cl)ccc2I)CC1 1170615369 ZCABIGUHUOIBJH-UHFFFAOYSA-N 431.705 1.812 30 10 IDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1ccco1 1188530067 FIRCMRNBEHISGX-UHFFFAOYSA-N 425.536 1.356 30 10 IDEE C#CCNC(=O)CN1CCN(Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 1194648039 DMQCLDCAEJSDQY-UHFFFAOYSA-N 426.561 1.847 30 10 IDEE NS(=O)(=O)CCCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1252424815 KHMNYUMOOFJREI-KNVOCYPGSA-N 433.321 1.477 30 10 IDEE CCO[C@@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1SC 1277168348 MUOBMKOKQSQCOP-QRVBRYPASA-N 437.587 1.984 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286390195 YLJSZHUWUYTUIW-ZWKOTPCHSA-N 429.546 1.702 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1286391825 DXXXHFQQJMULEK-MRXNPFEDSA-N 431.566 1.028 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)OC(C)(C)C)CC1 1286482427 RFRUEQPFAKHVQJ-UHFFFAOYSA-N 439.564 1.934 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1cccc(O)c1 1286515302 XJLLXQBQNKTHQA-HSZRJFAPSA-N 438.532 1.934 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1286607119 BIMLOKKHDFPYFK-GOSISDBHSA-N 449.581 1.281 30 10 IDEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNS(=O)(=O)CC)CC1 1286644947 ONTXUQMEKYWBCX-UHFFFAOYSA-N 443.533 1.690 30 10 IDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286652670 JBANEDVXCOJXTO-KRWDZBQOSA-N 436.582 1.198 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCC=C)C1 1286782299 QBRXJTLCBVMUMP-QGZVFWFLSA-N 445.545 1.432 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 1286793089 RDESFHJDDBIKCK-UHFFFAOYSA-N 426.521 1.972 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1286794056 VAVSDCKVOPTKKB-INIZCTEOSA-N 426.521 1.696 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1C(C)(C)C 1286824711 GYNAAOQKOKBFSQ-KRWDZBQOSA-N 436.582 1.971 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1286959375 GDGNZQBEJKVSBI-CVEARBPZSA-N 446.581 1.528 30 10 IDEE COC(=O)[C@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1289259665 DWYNOUGIFQDSKW-KRWDZBQOSA-N 427.482 1.871 30 10 IDEE CN1CCN(C)CC(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 1291832854 SLYZGEIIUMGOJQ-ATJXCDBQSA-N 435.594 1.712 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)c1 1292734288 YOMSDTCJCHXDEF-UHFFFAOYSA-N 427.482 1.341 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1292889537 DNXBSVZRDLEADM-IBGZPJMESA-N 434.581 1.697 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1cc(Cl)cn1 1297287535 DYKJXGRWKAJHEG-UHFFFAOYSA-N 441.927 1.958 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(CC(F)(F)CO)CC2)CC1 1300073281 NBFMXEZMRGSKRB-UHFFFAOYSA-N 449.458 1.794 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1conc1COC 1300455031 FFQVWMRXGFRVME-UHFFFAOYSA-N 433.472 1.927 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCC2)CC1 1300685075 FRLGSWHISFITNI-QHCPKHFHSA-N 430.597 1.558 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CC1 1300695675 FTDDGVOUAFGOFD-UHFFFAOYSA-N 432.532 1.689 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301505936 CNSCCCMJKXHTAS-VQTJNVASSA-N 425.533 1.864 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301514555 KNHJMUZQDZMVDP-PBHICJAKSA-N 428.468 1.013 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1301957017 RGKVLMKRSBVVAT-FZKQIMNGSA-N 436.358 1.709 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NOc3cccc(C#N)c3)CC2)o1 1302371888 RAJHLJGAMZOFBC-UHFFFAOYSA-N 447.469 1.839 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1303898585 FHSREQHDZIBRIE-GOSISDBHSA-N 443.529 1.283 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(-c3cnccn3)n2CCCOC(F)F)CC1 1316533182 GUCNCDDORYNCNC-UHFFFAOYSA-N 441.446 1.958 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1358880678 QPGHYKAHAYFEEF-BFUOFWGJSA-N 438.937 1.615 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1358929553 CIBREMGDHBJBEY-INIZCTEOSA-N 432.525 1.278 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)c1ccccc1 1358948735 JWOXDFNKTQAZRD-MJGOQNOKSA-N 446.577 1.205 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1359024188 GWWGVDCYQPDCHM-QGZVFWFLSA-N 442.545 1.157 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359131032 GEPAQHPCIUVLNH-UHFFFAOYSA-N 439.568 1.717 30 10 IDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359134029 IMKUQBCCZXZBFJ-UHFFFAOYSA-N 432.569 1.387 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1359258445 QROOYEXDGRTGAA-ZWKOTPCHSA-N 429.546 1.857 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1436660016 RRRBUAMZZAYNEP-IIAWOOMASA-N 426.922 1.612 30 10 IDEE CCc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)N1CCOCC1 1439727205 NNAYRZPLGLKKHB-UHFFFAOYSA-N 448.541 1.748 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1 1444985781 JHJNIDOWFMJKKJ-MRXNPFEDSA-N 436.534 1.832 30 10 IDEE CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)N2CCO[C@](C)(C#N)C2)cc1 1456479865 ZKJORTGTTFMROL-IEBWSBKVSA-N 441.575 1.626 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C[C@H]1[C@H]1CCCO1 1465872463 OBPXROYCKMQBFE-OKZBNKHCSA-N 434.537 1.766 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 1466132658 MYAKWBBIFSFHNQ-UTKZUKDTSA-N 445.516 1.736 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)cc1 1467807097 AUFSIFJSSXLULD-CMJOXMDJSA-N 447.451 1.418 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CCNC(=O)C3)c2)s1 1468414290 QLNVWVWIKZSIKG-UHFFFAOYSA-N 448.570 1.325 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2)cc1 1471387144 JQWVBYOUBHOHFI-UHFFFAOYSA-N 436.394 1.415 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1499302820 YNERIKDRHTYXLG-SYLQMPFCSA-N 439.476 1.088 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)CCO1 1504719936 BMSWVQLEUNSMEI-SFHVURJKSA-N 445.545 1.636 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C[C@H]1OC 1505113867 CLGJXDFGMZPDMV-KDURUIRLSA-N 436.472 1.690 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(C)(=O)=O 1507519645 IXPUXDCDGYZAKG-ZDUSSCGKSA-N 438.579 1.049 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507632225 YFZWCIGPSGAARU-ZWKOTPCHSA-N 432.550 1.265 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1507632792 ASKWDYHJFSKLNY-ADXZGYQBSA-N 448.614 1.573 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1507679157 HKZYMSHHISSLMC-LIRRHRJNSA-N 437.591 1.897 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1507984445 WXXQYUGRVJOHPJ-QAPCUYQASA-N 433.534 1.837 30 10 IDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1nn(CCC)c(=O)c2ccccc12 1508097307 HNCFAIFPVSFQKS-UHFFFAOYSA-N 447.503 1.844 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)N(C)C)C1 1508115499 KABPIJUXGNWGBU-OAHLLOKOSA-N 440.957 1.666 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1508416011 DAQFODZLWNHXIZ-PBHICJAKSA-N 425.493 1.351 30 10 IDEE COc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1518371074 CHXBWLAZPZGYFK-RTWAWAEBSA-N 445.545 1.633 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCN(C(C)=O)CC1 1519270573 JRTDYMVWKFKPML-GOSISDBHSA-N 447.584 1.296 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1CCOCC1 1519320290 PNKBFGYLOYZVMD-FXAWDEMLSA-N 432.569 1.995 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1539203431 PPZYXKCEFLZUJY-HOTGVXAUSA-N 447.527 1.912 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539218564 AOKRDRJOXARYEN-MRXNPFEDSA-N 433.582 1.498 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCC(O)CC2)CC1 1539475557 HCLBDRYUJVXHHO-UHFFFAOYSA-N 439.564 1.086 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 1540869701 UUZGIMWXIYYJSU-IAGOWNOFSA-N 444.923 1.763 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1540870053 DLTSAXRUFXKMLC-INIZCTEOSA-N 425.555 1.225 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(N)=O)c2)C1 1540881507 LCEJVBTWZBEMMA-IBGZPJMESA-N 438.532 1.637 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(c2ccnn2C)CC1 1540902899 TWJAKKSXRUISGL-QGZVFWFLSA-N 434.566 1.500 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1541115769 FEABHNXJJJVRJZ-NVXWUHKLSA-N 432.550 1.676 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1541728157 FVMMRLREXLCGCO-KKXYHZGYSA-N 433.553 1.989 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1547239301 HJXCOMAGNQZPTR-MRXNPFEDSA-N 428.493 1.607 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1547902651 YZJHQYNNJARLAZ-FGZHOGPDSA-N 442.520 1.970 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H](C)N(CC)CC)CCOC1 1547916358 WVWZICBJFSEGIF-XQFWAAQXSA-N 445.612 1.837 30 10 IDEE CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1552666753 DQCAQLSLZSTTBP-DEOSSOPVSA-N 449.559 1.990 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1552738411 CTLUOVHPXPMADI-GOSISDBHSA-N 427.484 1.555 30 10 IDEE CN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1552965206 WCZYMYRORMEAGK-AWEZNQCLSA-N 434.522 1.155 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1)OC 1555252351 ZFZBTBOLRAHHBI-IBGZPJMESA-N 434.504 1.595 30 10 IDEE C#CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1)C(=O)OC 1556971073 PYHROULUPLGTDD-INIZCTEOSA-N 432.523 1.790 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(c3ccc(Br)cc3)C2)cc1 1584768838 MIOOAZNCOHRXNZ-UHFFFAOYSA-N 449.326 1.704 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3cccc4c3OCCO4)C2=O)cc1 1585110701 BOJODLCVGHOWGK-SFHVURJKSA-N 434.452 1.893 30 10 IDEE N#C[C@]12CN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1585660067 CWSLJJFCTWIOMK-SUMWQHHRSA-N 430.935 1.291 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1C(=O)CCC1=O 1586280731 IPLBLZDUEAKDKL-IBGZPJMESA-N 426.473 1.658 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1587856581 NLMJAZFDXGLXIV-KKSFZXQISA-N 432.521 1.831 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1588050297 QNVKEBZBMAXUGZ-OAHLLOKOSA-N 431.547 1.119 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1588074180 KPAXWJZKLQZOQT-RTBURBONSA-N 443.573 1.956 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCN1CC 1588612252 CLUFPHHCHDHSDR-NRFANRHFSA-N 449.563 1.881 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)N(C)C)C1 1595689636 WBIGRXFHQMMBCJ-GOSISDBHSA-N 435.550 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1 1595761075 XGNQUOUMKDZICT-OAHLLOKOSA-N 448.549 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1595797988 KRYNMBYCMBDBSO-IRXDYDNUSA-N 433.534 1.436 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)nc1 1596978865 TYBZQRMJHOXGJU-OAHLLOKOSA-N 425.470 1.201 30 10 IDEE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1597108358 BMCDATRADBMWNV-SZMVWBNQSA-N 436.472 1.533 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCC[C@H]1C 1608453911 OIBQVXOZZNDOBC-PEBXRYMYSA-N 439.520 1.502 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H](N4C6)[C@]2(O)[C@H](O)[C@@H]1[C@@H](OC(C)=O)[C@H]73 1615811873 FWYGVCOTAAEFJY-JIXVJJPMSA-N 429.513 1.021 30 10 IDEE biogenic CCO[C@@]1(c2nnc(N3CCN(CC(C)C)C(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1616257342 HDJVRMGVNDUAEQ-QFIPXVFZSA-N 442.520 1.748 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(CNC(=O)C(F)(F)F)o3)C2=O)cc1 1618731200 MLJINJWFJZWWLF-HNNXBMFYSA-N 434.374 1.861 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2csc([C@H](C)NC(=O)OC(C)(C)C)n2)CC1 1626966387 BDUXSRXVCMPFOR-AWEZNQCLSA-N 435.550 1.236 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1627256439 XDGJRXGRZVOXDM-RUNBWSAHSA-N 433.461 1.460 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)s1 1628043810 RXLDBUDVOZKVOW-UHFFFAOYSA-N 438.575 1.704 30 10 IDEE CN(C)CCNC(=O)Cn1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1628211644 BMLGDRYIAULNKW-UHFFFAOYSA-N 446.552 1.150 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)CC3CC3)C2)C1 1629900508 JTTMRIYYGJLPIA-LFDOHDQPSA-N 425.551 1.714 30 10 IDEE C#CC1(O)CCN(C(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 1631450872 VLLFGKAJBQVYPL-UHFFFAOYSA-N 429.517 1.538 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)cc1 1635015464 DQLMTHQLECLIMX-GOSISDBHSA-N 433.530 1.825 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)C1 1635487447 KCYBQUWWXMGOBI-VGOFRKELSA-N 439.903 1.793 30 10 IDEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1636193536 KRTLCFHTRAZCJY-SFHVURJKSA-N 430.549 1.808 30 10 IDEE NC(=O)[C@]1(c2ccccc2)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1638066372 FMWFCTIAMOEDJO-JOCHJYFZSA-N 440.525 1.161 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)C1 1638075995 XIMRDJAGZTXNOD-FPOVZHCZSA-N 431.558 1.646 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)c1 1640034636 VJDMFMKTYRUINY-IBGZPJMESA-N 426.502 1.395 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1(C)C 1641854789 IVDNPJAAIGXJOS-INIZCTEOSA-N 436.534 1.598 30 10 IDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C2 1643166905 HENSKKKPNJSPKT-MRXNPFEDSA-N 431.539 1.662 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@H]2CO)CC1 1643826456 OWUVMJQFXYWLOZ-FCHUYYIVSA-N 444.551 1.788 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1646439798 SCJFLYGAFGHPPA-SGTLLEGYSA-N 440.547 1.107 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CCN1CCOCC1)[C@@H]1CCSC1 1646468474 FNEKBPAGROYUPN-HXUWFJFHSA-N 440.573 1.822 30 10 IDEE CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1648028594 GVYLSDZEEGDMTL-UHFFFAOYSA-N 431.493 1.631 30 10 IDEE C[C@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCO1 1654932704 NEZRFQYLUJRTLZ-QFIPXVFZSA-N 442.541 1.287 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@@H](C)O1 1655064190 IMKPODIHWRVPQS-QINHECLXSA-N 444.532 1.618 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1665080348 FHBCIQSUOSEROP-MFKMUULPSA-N 434.392 1.692 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)NCCC)c(Cl)c2)CC1 1667781573 DXNNXFYUCDLQGT-UHFFFAOYSA-N 441.941 1.097 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)CCO1 1671191744 GJJUOWKGSDZREX-JOCHJYFZSA-N 442.541 1.857 30 10 IDEE C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)C1 1673972588 AMZPCWHDDUSJII-CALCHBBNSA-N 438.532 1.798 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)CC1 1685289803 WMVXEHZELAIWBS-UHFFFAOYSA-N 442.423 1.476 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1689852861 LUAUUUJSKORPPX-DLBZAZTESA-N 439.582 1.276 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1689887242 UNQNEKAWVCQMOP-INIZCTEOSA-N 433.516 1.662 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1689943675 ZINLKXNDHQQRDO-UHFFFAOYSA-N 436.560 1.841 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 1689981748 AOUITMZBYKJDNT-LJQANCHMSA-N 427.530 1.388 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1690028315 RBUZNHVNHVSLGQ-UHFFFAOYSA-N 438.507 1.233 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690154023 HNDZQSQKVUXUBM-UHFFFAOYSA-N 447.609 1.511 30 10 IDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1690290413 GOFBCNWFHGZNLI-IBGZPJMESA-N 446.577 1.471 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690309923 NTYFQCRBGXBPCS-ZWKOTPCHSA-N 429.525 1.232 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690470770 KXNIIBRJXVRJSU-GJZGRUSLSA-N 433.600 1.258 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1690627713 VAHKRQVRQHISGV-GOEBONIOSA-N 436.582 1.207 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CC2)C1 1690699478 FTVHBFCVIAJNMP-DLBZAZTESA-N 439.582 1.583 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1690763173 IXLZJHAGUJMPLJ-UHFFFAOYSA-N 434.508 1.341 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccco1)N1CCCCC1 1692541953 CKQCCSWXNUSMGA-MSOLQXFVSA-N 441.536 1.965 30 10 IDEE CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1696602805 HKWDEWCOMSLDIA-VQTJNVASSA-N 444.540 1.805 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1697706051 JMSDAWKYMLQCMQ-QGZVFWFLSA-N 446.458 1.536 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCN(C)C1 1698062606 DRMONWLMOMNNGK-HMFYCAOWSA-N 434.585 1.630 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOC1=O 1705575730 VGAPHECMHFKLCP-UHFFFAOYSA-N 445.321 1.961 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1705630522 WEWLEZAWXOJHPV-KRWDZBQOSA-N 441.557 1.871 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC(N)=O 1705699403 GMMWUECIKYUKGN-LPMFXHHGSA-N 430.509 1.687 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705761818 BPZSDVWHBRXEBV-HTXNQAPBSA-N 425.493 1.197 30 10 IDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1705796357 DFHQGZVAAVEGLF-CEXWTWQISA-N 438.532 1.540 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1705812087 QULLGVUWXMCAGG-HNNXBMFYSA-N 439.611 1.946 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2CCCO2)CC1 1705895154 VXSMWDLXDDNBGX-SFHVURJKSA-N 432.569 1.894 30 10 IDEE CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706642823 XQCBRZMWXZZPHQ-MOPGFXCFSA-N 435.532 1.782 30 10 IDEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cnn1CC(C)C 1707028559 KOQNJKSHVLWVMW-UZLBHIALSA-N 449.556 1.831 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@@H]1CCOC1 1708149766 TXNLBUUGCUNLBW-HKUYNNGSSA-N 438.532 1.927 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1710866983 TVSLQHFRTUSWHN-GOSISDBHSA-N 433.534 1.493 30 10 IDEE COC(C)(C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1711492522 NFPIIYFXSWVORD-PGRDOPGGSA-N 432.569 1.920 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1712884766 RRESHNLGGZYZSZ-QZTJIDSGSA-N 447.490 1.349 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1722300273 BYHSWOFWBCRBEN-MRXNPFEDSA-N 425.624 1.847 30 10 IDEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1722308106 GFBZNHOJNYWCKB-UHFFFAOYSA-N 428.924 1.991 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1722391168 YAVQOCAHGUMIRM-WMZOPIPTSA-N 448.618 1.716 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722438132 MWQDZHAMIKBFRE-SFHVURJKSA-N 435.507 1.512 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(SC)CC2)CC1 1722443674 MCHRFJNETDZALX-JOCHJYFZSA-N 447.605 1.792 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722460062 BUJXPUMVCWNUFW-UHFFFAOYSA-N 432.638 1.978 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1722486652 BYZDPBFMIUTOQF-UHFFFAOYSA-N 439.358 1.614 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCNS(C)(=O)=O 1722657378 ZVVBGLAVPBGLIC-GOSISDBHSA-N 430.534 1.395 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 1722671787 CBPVQWROQQQUCH-GJZGRUSLSA-N 447.508 1.214 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1722674658 SBTVQUPNYVKHKZ-JOCHJYFZSA-N 428.537 1.295 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1722692573 RRFHERKRUOBJDE-KRWDZBQOSA-N 448.474 1.575 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1722782191 AJEXEOPWJDTUPJ-UHFFFAOYSA-N 433.472 1.395 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC[C@H]1CCOC1 1726406271 NVGADIVPYMHKGW-FUHWJXTLSA-N 426.525 1.407 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C[C@@H]1N1CCOCC1 1726725062 YQBQILWVTKWUPC-PXNSSMCTSA-N 440.548 1.657 30 10 IDEE CNC(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1729722651 WLOYIQWZZBYRLG-CABCVRRESA-N 435.529 1.318 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC#N 1729737278 ADMYZLJYLZEPDR-AWEZNQCLSA-N 428.522 1.623 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@](C)(C#N)C1 1729745558 BKCXQJPMUSGIBC-HXUWFJFHSA-N 432.550 1.845 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)N(C)C 1740663054 WYCQSBSWNBFSNO-UHFFFAOYSA-N 443.371 1.397 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(F)cn1 1740688402 PZDBJOXDMJXQLI-UHFFFAOYSA-N 428.493 1.938 30 10 IDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740746792 XHYKRHSOTKEWCP-UKRRQHHQSA-N 436.310 1.533 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740766431 HYEYDKKQQNQNHP-APWZRJJASA-N 441.598 1.656 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC)CC1 1740790531 TVPGYAWBXXDXLW-UHFFFAOYSA-N 442.520 1.770 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1740888015 ONXRJCNQAHZZRG-OALUTQOASA-N 437.610 1.838 30 10 IDEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CCOCC1 1744290582 BBDGQSASZXAYMG-LJQANCHMSA-N 438.532 1.975 30 10 IDEE CN(C)[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCSC1 1747580876 DKQNWJQFMCFUJA-VQIMIIECSA-N 438.623 1.357 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748817978 UGLKPODAFMCAKS-IBGZPJMESA-N 437.610 1.216 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1748984281 PHUHRRRLORKAAL-SFHVURJKSA-N 449.481 1.358 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nc(C)cs2)CC1 1748994769 QIDJOXCMDDDYPC-UHFFFAOYSA-N 441.586 1.838 30 10 IDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCCS(C)(=O)=O)CC1 1749348284 MDPYUOHJOZLPOY-UHFFFAOYSA-N 436.582 1.603 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749736688 NDCLTIWFIVGJLF-AEFFLSMTSA-N 435.550 1.105 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1750083702 GKIVGJZUQHVRKC-LJQANCHMSA-N 439.520 1.474 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1752278565 LMUCRIBAEPCMRU-APWZRJJASA-N 440.504 1.201 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1760116393 GYGVNYMMMBVPIK-XJKSGUPXSA-N 438.579 1.077 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1760183639 CJYQGFOXKYSJQG-HNNXBMFYSA-N 449.964 1.704 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)CC 1760200550 NBIWVKWUJIJZDE-UHFFFAOYSA-N 437.529 1.143 30 10 IDEE C#CCSCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1760286852 XCQSZWIOOFVHFR-NRFANRHFSA-N 435.594 1.744 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC 1760291731 AEPWPFWITKWYRU-HXUWFJFHSA-N 440.533 1.348 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1760322816 XXLSESJMQNNTNN-MKXGPGLRSA-N 437.610 1.692 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNS(=O)(=O)CC)CC1 1760381165 AZMMFNPPVGDQSU-UHFFFAOYSA-N 433.538 1.411 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC3(C2)OCCO3)CC1 1760396536 FREMCLDGDQJDMO-RDJZCZTQSA-N 439.582 1.834 30 10 IDEE CC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1762349142 AVNLHZQZFLOTGG-QGZVFWFLSA-N 437.552 1.949 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1763154012 WORJGMVTNUDXOI-BUNKOAGESA-N 437.504 1.404 30 10 IDEE CCN1CCN(c2ccc(Cn3c(CC(C)C)nnc3N3CCO[C@H](C#N)C3)cn2)CC1 1767110098 WDNGEEJQUNXEHT-HXUWFJFHSA-N 438.580 1.791 30 10 IDEE Cn1cc([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCNS(C)(=O)=O)C2)cn1 1767467237 CKTTXLKCIMWNSB-QGZVFWFLSA-N 440.533 1.093 30 10 IDEE CNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767553508 NICRQRZVXVNUDE-UHFFFAOYSA-N 446.515 1.571 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1767873219 PZWOBZIESCNZLB-ZIAGYGMSSA-N 433.490 1.083 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1769441164 DBYTYNOLZFNPDU-KRWDZBQOSA-N 438.488 1.254 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC[C@H]1C 1770634649 VIQYXPIYHJRLGZ-APWZRJJASA-N 438.532 1.960 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1770833575 VYHYCGGRJVVEFR-PEZBUJJGSA-N 440.426 1.576 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1771273220 INKYQPXNKQXZSS-NRFANRHFSA-N 440.548 1.781 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)ON3C(=O)c4ccccc4C3=O)c2)C[C@@H](C)O1 1772791327 RNJFNXQTZINYTB-OKILXGFUSA-N 444.465 1.853 30 10 IDEE Cn1cc(C#CCNC(=O)[C@H]2CC(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 1853117053 ZXOZIMFNRKMCCI-KRWDZBQOSA-N 429.521 1.136 30 10 IDEE CCOc1ccccc1C(=NOCCN(C)C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853601109 JNSIEQLFFKZMJL-UHFFFAOYSA-N 446.529 1.798 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCCO3)C(=O)C23CCCC3)cc1 1856291020 JASCHIXONBVQHJ-GOSISDBHSA-N 431.514 1.800 30 10 IDEE Cn1c([C@@H](C#N)C(=O)CN2CCN(c3nc(O)c4c(n3)CCCC4)CC2)nc2ccccc21 1859428414 ZCFDGRYZQIMLBZ-KRWDZBQOSA-N 445.527 1.946 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCc1cnc[nH]1 1870671082 UIAKDQFTEJYSOF-UHFFFAOYSA-N 444.532 1.947 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCCCCCCO)sc2c1CCC2 1872707440 ROMGQRYXTZIUNU-UHFFFAOYSA-N 433.490 1.791 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)cc1OC 1874432681 RNYDXNMEPHLJOH-LSHDLFTRSA-N 434.522 1.432 30 10 IDEE CC#CCN(CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1900624468 KHEXEUZBRNLQFO-JKSUJKDBSA-N 425.526 1.591 30 10 IDEE C=CCC1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CN(C(=O)OC(C)(C)C)C1 1985829608 VNSYAAFAZYJEQR-LSDHHAIUSA-N 425.526 1.896 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cc(C#CCN)cs1 2121175308 XPZFXLWHNMTZMZ-AWEZNQCLSA-N 431.539 1.725 30 10 IDEE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124538716 MMQBODNTVKCDIE-UHFFFAOYSA-N 444.301 1.829 30 10 IDEE C#CCn1ncc(NCCn2cnc(I)c2)c(Br)c1=O 2237131559 ZLOWFZVNEOVCGR-UHFFFAOYSA-N 448.062 1.552 30 10 IDEE C[C@H](CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2255604745 HVHBMSFLIYFEFW-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626461 GKMGTWVTFJQIPL-MNOVXSKESA-N 430.236 1.381 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2255627726 XQBMKKBFZVTWGL-UHFFFAOYSA-N 432.330 1.792 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164389 QWDIZCROHGQRQD-RCDICMHDSA-N 444.341 1.905 30 10 IDEE CO[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267225346 VGSATCXTRQZKAF-LSDHHAIUSA-N 448.329 1.140 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2267265302 DHBZSIUVKJMUAD-QGZVFWFLSA-N 439.369 1.897 30 10 IDEE Cn1cc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267522490 VONMGPBSGUUSJY-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)OC(C)(C)C)n1 2267549873 RAQHSMCXCDDHAW-KGLIPLIRSA-N 447.345 1.196 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2267607663 AMVRLUWFMMVPTR-KMFMINBZSA-N 444.341 1.904 30 10 IDEE C=CC1(N[C@@]2(C(=O)O)CCOC[C@@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2306608397 UTVMGFXYAVPTFJ-QKKBWIMNSA-N 441.525 1.889 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCON(C(=O)OC(C)(C)C)C1 2315529144 RBBYHCVUADRODT-ZDUSSCGKSA-N 436.318 1.390 30 10 IDEE C#CCOC[C@H](O)CN(CCN1CCOCC1)Cc1cccn1Cc1cccc(OC)c1 35840861 HQONHYFSBUFMDO-XMMPIXPASA-N 441.572 1.690 30 10 IDEE O=[N+]([O-])c1ccc(O)c(C=Nc2nnc3n(N=Cc4cc([N+](=O)[O-])ccc4O)cnn23)c1 254734335 CKXFMMACRDNSEU-UHFFFAOYSA-N 437.332 1.786 30 10 IDEE COC(=O)[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 428565896 JOEBTQJTLOVIDM-ZUOKHONESA-N 433.461 1.569 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 478844097 JLVJZZAUKXYGAY-MRXNPFEDSA-N 431.473 1.862 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)CC1 479007188 AKJULMXUURCKAS-UHFFFAOYSA-N 443.504 1.839 30 10 IDEE N#C[C@@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 499431753 PIKMDVBKMMWWDO-MSOLQXFVSA-N 449.349 1.843 30 10 IDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 500253960 HEWDXYNKGJMYRC-MRXNPFEDSA-N 434.562 1.891 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(c3cccnn3)CC1)CCCC2 507274358 OHKATFVHJUPZPU-GOSISDBHSA-N 449.559 1.968 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)c1nccs1 509010850 IGFATRKQYVFOIJ-KGLIPLIRSA-N 426.568 1.493 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CC1 524517569 MODRLDQBGBLBNO-FQEVSTJZSA-N 449.983 1.343 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cc(OC)cc(C)n2)c1=O 537393201 AQJWDCZBSWCMSF-UHFFFAOYSA-N 444.557 1.078 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cc(OC)cc(C)n2)c1=O 537395302 UAWPSVKLHOKGPE-UHFFFAOYSA-N 446.532 1.974 30 10 IDEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546904467 RZGJNLOSZZNNRN-UHFFFAOYSA-N 443.529 1.369 30 10 IDEE Cc1cc(C)nc(N2CCN(CC#CCN3CCN(c4nc(C)cc(C)n4)CC3)CC2)n1 556501431 BJFCACCEQAGXOY-UHFFFAOYSA-N 434.592 1.448 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 590914000 JTYCMIHUXADADQ-GOSISDBHSA-N 441.528 1.790 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(C(=O)N2CCOCC2)CC1 598702046 HLKZZUKKXRVWNX-GOSISDBHSA-N 428.533 1.901 30 10 IDEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(S(=O)(=O)N(C)C)c1 609001155 PTGMNGYJTIMSBS-INIZCTEOSA-N 442.545 1.796 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C(C)C)c1 729669926 WUOHHMBFJKPBCU-UHFFFAOYSA-N 443.532 1.919 30 10 IDEE COC(=O)[C@H](Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccc(C#N)cc1 740001299 RUXCJPZDWNRJRA-LJQANCHMSA-N 429.502 1.361 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 742249961 DSLCFFBPVHNSAI-QBEKEKFNSA-N 432.908 1.746 30 10 IDEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2ccc(N3CCCCC3)cc2)C1 749789720 AYTUDFOHEVHWTB-OAQYLSRUSA-N 431.581 1.787 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 750304270 YFFOHOOKJQCJLY-AWEZNQCLSA-N 425.482 1.721 30 10 IDEE COc1ccc(OC)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)c1 751922648 DRLFWSFYMKOMBD-OAHLLOKOSA-N 444.504 1.968 30 10 IDEE CCc1c(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 754342160 HATQGJKYPMILDR-ZDUSSCGKSA-N 441.488 1.083 30 10 IDEE C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1 755087421 RHBZBGYBYICJFS-UHFFFAOYSA-N 425.510 1.848 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 755921732 AYJZONVYIYVSHX-UHFFFAOYSA-N 433.921 1.620 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)C1 758769761 JNSLKEAPQADDKM-YQQAZPJKSA-N 433.484 1.528 30 10 IDEE CCNC(=O)C1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1 764072456 WLYKPOZHVJQWBG-PTGBLXJZSA-N 435.550 1.879 30 10 IDEE COc1cc(CN2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1OC 780960746 ODTWOWDGVDFALD-OAQYLSRUSA-N 425.485 1.962 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 788296915 MZZMUCYFQHMOIM-UHFFFAOYSA-N 430.505 1.946 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)n1 788370830 ZTGIRZXTUJZZMO-OAQYLSRUSA-N 440.460 1.298 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)n1 788693870 HGDCFRCSLBPNFP-UHFFFAOYSA-N 427.429 1.418 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)n1 789082982 RULHFVPTUDDONB-GOSISDBHSA-N 431.443 1.758 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 789718080 YUFAKXKPCKWGGB-HXUWFJFHSA-N 433.461 1.459 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 790109153 NMAVXYJMLFLEGE-UHFFFAOYSA-N 427.461 1.550 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(C(=O)N2CCN(C(=O)CC#N)CC2)=NN1c1ccccc1 807922740 KBFIDADOBGEVFN-GOSISDBHSA-N 425.489 1.547 30 10 IDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(F)cc1 812749126 DTYKXHQEXBQITM-IBGZPJMESA-N 432.473 1.960 30 10 IDEE CC(C)(C)OC(=O)N1CCC(SCC(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 813983334 QTZKHJPIDRNOPI-UHFFFAOYSA-N 440.547 1.891 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(F)F)cn1 814710292 PFDOLQLXSOVEHZ-CYBMUJFWSA-N 429.493 1.745 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@@H]1CCCO1 818222009 UWISHCLYQOBSSX-SFHVURJKSA-N 448.548 1.665 30 10 IDEE CCN(C)Cc1cc(O[C@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)ccn1 856585634 KRDLGQIJKUKGEP-XZOQPEGZSA-N 442.608 1.679 30 10 IDEE COC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1117349215 BJVUNWLFZCIOEP-HUUCEWRRSA-N 427.461 1.386 30 10 IDEE C=CCOC[C@H](NC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1155779218 IIJXDFJKJDUJOO-FGSXEWAUSA-N 434.489 1.663 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(-c3ccc(OC)cc3C)c2)CC1 1175515031 OQVCXQBLGZKOPF-UHFFFAOYSA-N 428.514 1.291 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1286432834 ZJPVLKLLIXQLHS-QURGRASLSA-N 446.515 1.129 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1286480406 VMITVJFXGMUHBY-YDHSSHFGSA-N 427.597 1.495 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286603758 KAUCNZRBRRCCBD-KRWDZBQOSA-N 448.545 1.932 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCNC(=O)C1CCC1 1286628291 DWGWOMXLXRGKOX-OAHLLOKOSA-N 429.974 1.675 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286791326 QWZJTYYDAQESCH-UHFFFAOYSA-N 426.587 1.029 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C1 1286909718 AFPHIWJSGLQJCA-GOSISDBHSA-N 426.521 1.995 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H](C2CC2)O1 1291224287 VLNOKFKMLMMBFN-DNVCBOLYSA-N 444.561 1.760 30 10 IDEE C[C@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCN(C)C)CCO2 1291325926 OQTQRLJZFIZLEL-JPYJTQIMSA-N 440.548 1.779 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1296429663 XIOUXYCPEHSIQF-HNNXBMFYSA-N 441.492 1.628 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1298690629 MOESFAXGFARMRH-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300358422 TYTKHXLUENIRAT-QGZVFWFLSA-N 431.566 1.646 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@H]1C 1300587709 TWSUEQCGFCKOJP-HXUWFJFHSA-N 431.544 1.700 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1300631822 WFUABVLXFLJUSO-LJQANCHMSA-N 442.589 1.951 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccc(C(F)F)n2)CC1 1300681711 ZJWDBPJENDXWMD-UHFFFAOYSA-N 430.463 1.045 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C)CCOCC2)CC1 1300707765 JCKHGMABSZXLJN-UHFFFAOYSA-N 442.589 1.842 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1300726378 OBHCIRNSHYMQJA-XXBNENTESA-N 429.565 1.781 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300874510 MYFMHTXXWMHXNH-MOPGFXCFSA-N 432.569 1.957 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NC)C1 1300990525 FRRMYZLQIVYGKT-OAHLLOKOSA-N 430.509 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(=O)OC)C1 1301492676 MUSNIUCOWASKAH-OAHLLOKOSA-N 427.461 1.018 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1301510069 SGGDKYBLBMBEBC-UHFFFAOYSA-N 436.520 1.177 30 10 IDEE CC(=O)N1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301699991 GZJMRWKYFOOLNT-VZCXRCSSSA-N 441.536 1.521 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCCCCCO)cc1 1302991361 GHJZZFHIOUZDME-AZUAARDMSA-N 438.532 1.996 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1303405487 VXDUWWNNWYAEPH-RBUKOAKNSA-N 445.568 1.179 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1314503156 JGXXKRNDPHDFPE-IBGZPJMESA-N 426.521 1.927 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1315033451 JKUKPEDODALAIH-LJQANCHMSA-N 447.547 1.792 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)C(C)C)CC1=O 1316127867 BZWWEKXMPFOPCQ-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1358960725 KMLZREVIPICNCD-LNLFQRSKSA-N 429.546 1.881 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1358960741 KVIYHAAEGONQNJ-QZTJIDSGSA-N 430.578 1.395 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC=CO1 1358971859 LEAAEVBMRWBDFR-LJQANCHMSA-N 439.541 1.961 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CCN(CC)CC2)CC1 1359045117 XLSNVAHODPYDSR-OAQYLSRUSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359056899 NMQMULBTRMIWEJ-HZPDHXFCSA-N 439.607 1.042 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1359104817 GFRNGFHGXXULRP-RQXXJAGISA-N 433.553 1.578 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COC)C1 1359311069 PEXHWJFSFVNMIW-IBGZPJMESA-N 441.532 1.865 30 10 IDEE COc1nc(N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)ncc1Br 1435388589 SKUMPWQKUWZJCT-UHFFFAOYSA-N 434.298 1.629 30 10 IDEE C[C@H]1COCCN1C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1450520713 DDIUZMLRXGINOI-OXJNMPFZSA-N 439.516 1.475 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](NS(C)(=O)=O)C(C)C)n1 1464712237 OYIPNWIHJWYJCS-GFCCVEGCSA-N 430.581 1.312 30 10 IDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCc2ccnc(C#N)c2)C1=O 1467726041 CBTFMDRTJQYEGE-LJQANCHMSA-N 442.273 1.799 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)C1 1471335623 FSCWUDTYRYSOIP-VQTJNVASSA-N 430.574 1.651 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1 1475384477 VEPYMGOIRWWOJG-QGZVFWFLSA-N 429.560 1.935 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4cnccc4C#N)CC3)C2)c1 1479134324 VAXUFQNLQZUFJF-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE CN(c1cccc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1)S(C)(=O)=O 1479542931 AGACWLSVFUZYMN-UHFFFAOYSA-N 427.530 1.986 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H](C)C2)C[C@H]1O 1503882083 RAKMGBBLEWKKQQ-MCYKXBRJSA-N 439.516 1.992 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCC(F)F)CCO1 1505321456 AVROTYJEJBRYCW-AWEZNQCLSA-N 427.415 1.603 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2)C1CC1 1507987553 GBYIOJLYFTWJCK-AWEZNQCLSA-N 444.561 1.377 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1508073415 JSAHWNNUZRQJTA-BQFCYCMXSA-N 446.577 1.573 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2F)CC1 1508073419 XMWSOGNSGCXXFL-UHFFFAOYSA-N 441.511 1.282 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1508420481 BMIKGSKDVYBCQF-WYIRRWHOSA-N 449.606 1.745 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(CC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1511641762 OWDANYRYAITMPI-MRCUWXFGSA-N 440.552 1.990 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCSCCCO)CC2)c1 1521110463 ONOVXGUAIVMKPC-UHFFFAOYSA-N 438.561 1.982 30 10 IDEE Cc1cccc(CNC(=O)c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)c1 1536179722 LXGDVVLJZAJASF-REWPJTCUSA-N 437.521 1.935 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(Br)ncc3Br)C[C@H]1CS(=O)(=O)C2 1537005318 CELDUPFGEOXSFL-ISVAXAHUSA-N 449.124 1.617 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)C[C@H]1CS(=O)(=O)C2 1538765198 GGVAINYOQFFSED-PWXKEOIMSA-N 440.319 1.318 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1539013798 JVRSXGAIQDRPBF-NVXWUHKLSA-N 430.530 1.652 30 10 IDEE O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@]2(F)CCS(=O)(=O)C2)C1)C(F)(F)F 1539144185 SXVJPYAGZLBWPX-DKCNOQQISA-N 428.326 1.114 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1539230515 NLGKFSBORDSVHH-INIZCTEOSA-N 447.586 1.696 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCNC(=O)C(C)C)CC1 1539462460 UXSHIUSNVLAEOZ-UHFFFAOYSA-N 440.548 1.393 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539527178 WDPIFFGPMUTFJQ-HNNXBMFYSA-N 438.550 1.986 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539977382 NMUKXCGBBXAEPA-UHFFFAOYSA-N 442.568 1.762 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1540875404 KVQUFFSZKQIALY-UHFFFAOYSA-N 438.536 1.087 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1543470367 ROJNNKLIVDBOBU-GFCCVEGCSA-N 435.329 1.782 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCC(=O)N1 1548170494 WSXKIGONPUEIIG-OAHLLOKOSA-N 427.484 1.431 30 10 IDEE CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1552408965 CZBWJYPZJCPQEC-ITYGUNAYSA-N 428.562 1.928 30 10 IDEE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1F 1552813314 IWNGMEICPAUSDY-MRXNPFEDSA-N 427.484 1.496 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCC1 1555665152 VBBZOARHYLXJFB-IEBWSBKVSA-N 431.585 1.663 30 10 IDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)nn1 1557105318 VOJOBIDKEVSFFT-UHFFFAOYSA-N 431.543 1.977 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 1558075549 XPNZXUQUTPVVCN-UHFFFAOYSA-N 443.312 1.874 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1564416986 IWNWVQXOWPZYSC-JKSUJKDBSA-N 441.554 1.023 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCCC#C[Si](C)(C)C)cc1C 1584150719 WDXSGNYOGDOPRD-GOSISDBHSA-N 437.638 1.603 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1587554926 AMXBUCWDJUNHQX-ROUUACIJSA-N 425.537 1.740 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1588055228 UDJHKOYYLNUGKX-VQTJNVASSA-N 444.557 1.603 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588070061 VPXIAQUZJTWACQ-RBUKOAKNSA-N 444.561 1.112 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2)c(F)c1 1588637773 KJXTWWVXBVYTKO-GOSISDBHSA-N 437.479 1.688 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(-n2cncn2)nc1 1588660444 WQCHGCUHXMOOIZ-UHFFFAOYSA-N 429.488 1.374 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CC1 1588790962 IOVVDMYSFRKQSF-UHFFFAOYSA-N 433.560 1.683 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1595467483 VZYQNULOEPZXSJ-SFHVURJKSA-N 446.474 1.248 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595517510 ZUQQOEUFEFNLTO-CTNGQTDRSA-N 449.559 1.666 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1595523507 WVYRAGPKTCUDHK-INIZCTEOSA-N 438.492 1.727 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@H]1c1nccn1C 1595885609 XRERIMPGWUIOCV-HOTGVXAUSA-N 432.278 1.981 30 10 IDEE CCN(C(=O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1597896189 XLHKMHDBAQCPMD-IBGZPJMESA-N 433.468 1.933 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccccc3CS(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1611165065 LAQUQCFFEZNGFN-UWJYYQICSA-N 444.534 1.671 30 10 IDEE Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1612462735 HZVFRXACUHQWKE-AUUYWEPGSA-N 434.570 1.417 30 10 IDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1618007631 MINCEFHRBRXPRV-FQEVSTJZSA-N 448.838 1.682 30 10 IDEE COc1cccc(-n2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)nn2)c1 1627620114 GJXCOEFZHKFYPV-CYBMUJFWSA-N 426.458 1.453 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 1629889388 RQSZHKPVEMIQAF-SZMVWBNQSA-N 426.922 1.009 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)s1 1630613148 JCRCLJLEYCYZAR-INIZCTEOSA-N 434.499 1.274 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)cc1 1635074076 HZNOLTFVSLUUOL-KRWDZBQOSA-N 426.498 1.406 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3cccc(Oc4ccc(F)cc4)n3)C2)c(=O)nc1O 1636707419 GXBUICPPGQWKSD-UHFFFAOYSA-N 436.403 1.913 30 10 IDEE CN(C)c1cc(C#N)cc(C(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c1 1644428527 HBMYWWHNMINKEF-UHFFFAOYSA-N 425.493 1.938 30 10 IDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790667 PZNIKBDXLXLCBQ-OAHLLOKOSA-N 433.509 1.779 30 10 IDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651223733 SBPBHCIKHRQUFT-QGZVFWFLSA-N 448.520 1.736 30 10 IDEE COc1ccc(OC)c(-c2csc(NC(=O)CN3CCN(C(=O)CC#N)CC3)n2)c1 1658692156 BIOSSULKGAYBSH-UHFFFAOYSA-N 429.502 1.824 30 10 IDEE CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 1673104062 FUOQAFWXYXIXNL-UHFFFAOYSA-N 440.529 1.808 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1689936835 GCFWIUOFRBMRPU-QGZVFWFLSA-N 440.552 1.643 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1689977782 CTIRXUPDGUDING-INIZCTEOSA-N 428.518 1.518 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1689980226 OJZWXGYGTWBSLC-CYBMUJFWSA-N 438.504 1.978 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1690113378 HXSJXZOLXRQTDK-PKTZIBPZSA-N 431.581 1.889 30 10 IDEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690297760 FXOORGJAUSPEBE-MBSDFSHPSA-N 446.596 1.684 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1690299134 GROAZICHKOHNRL-UHFFFAOYSA-N 443.527 1.968 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1690507054 BWWTZMPNVYTCEZ-HNNXBMFYSA-N 430.475 1.896 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1691334626 BEDCLGFSWDBBDV-UAFMIMERSA-N 446.596 1.772 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1695036669 BTKVUCBZKDKOKM-WIYYLYMNSA-N 446.577 1.886 30 10 IDEE CCC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1695101640 LZQASWMYZQUQGX-GOSISDBHSA-N 440.552 1.825 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC)c2ccccc2c1=O 1695404460 INQSYTGMEDQTMY-INIZCTEOSA-N 437.504 1.830 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1 1705588038 TWBXFXFDLFZUOE-QFIPXVFZSA-N 448.571 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1705694423 QRWWCWQLIDUXRL-GJYPPUQNSA-N 439.520 1.574 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNS(C)(=O)=O)CC1 1705778894 NSIQYEYNTIGRSZ-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705880906 ULOAQGBNJPTNAY-FQEVSTJZSA-N 446.533 1.056 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705927390 XTUBWHYXAJGOPD-OALUTQOASA-N 446.577 1.327 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@H]2CCOC2)C1 1712877267 GSJFUGZEWXIDBZ-YWZLYKJASA-N 448.524 1.907 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)CC 1722418222 JLFIIGJJFSLXOW-UHFFFAOYSA-N 445.524 1.397 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1722453016 MZHAGNAGMOECGB-OAHLLOKOSA-N 427.534 1.384 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1722517310 JHYDUWUPXBQXHD-DLBZAZTESA-N 439.582 1.078 30 10 IDEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722533328 OROCLZMYLDHLTD-OAHLLOKOSA-N 432.475 1.954 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722557353 WOZRTZRAPSTEBV-INIZCTEOSA-N 449.943 1.982 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1722692437 MBNVAWJSUXEXBA-MSOLQXFVSA-N 430.553 1.459 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(c2nccs2)CC1 1722700244 CAPJMNZFZLUXGI-UHFFFAOYSA-N 438.561 1.739 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1727801219 HZVUZLKZZVCYIZ-JTDSAVPOSA-N 437.504 1.870 30 10 IDEE CCN(C)C(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1728260232 BJPXBBMIMAGPPT-HNNXBMFYSA-N 436.520 1.892 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1729211221 FPSBJQIJYRFBNZ-HNNXBMFYSA-N 448.549 1.545 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(F)cccc2Cl)CCO1 1731188543 HQLJSHYGDDCCKK-OLZOCXBDSA-N 439.900 1.750 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)c1 1740564104 AUCUUYDDSFUISG-UHFFFAOYSA-N 445.527 1.798 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCCN(C)C)[C@H]1CCS(=O)(=O)C1 1740623920 AEDGYYWFXDPUSL-IBGZPJMESA-N 445.589 1.456 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1740690619 YKOSMZAZUVUUFA-UHFFFAOYSA-N 438.576 1.846 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740839684 LTIZBLRMTBZXJN-NRFANRHFSA-N 434.537 1.960 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741075815 XEAMDTPYINHGPY-ZDBRSUKYSA-N 429.525 1.207 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1 1741885362 FBYGOFBTFULGMW-INIZCTEOSA-N 427.534 1.973 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1745775293 FSLQLWNARSVPBB-ZZEZOPTASA-N 429.525 1.110 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1745796986 DMLKCLDJHYVUEK-IBGZPJMESA-N 437.548 1.897 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1748671062 GDKFBZVLRPSFIT-ZBFHGGJFSA-N 437.566 1.505 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)N1CCOCC1 1748707054 ZHUYJSZSYDDGKP-UHFFFAOYSA-N 449.519 1.019 30 10 IDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1748774173 VMHPUGFNGUQOMR-NRFANRHFSA-N 425.514 1.421 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1748811611 JBVQIBSKVGZWIF-HNNXBMFYSA-N 443.558 1.429 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1)C1CC1 1749519641 ONFIYUVQMHBELY-MSOLQXFVSA-N 439.582 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1749734218 GIFMVBZGRRLHNP-UHFFFAOYSA-N 435.550 1.614 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1750961332 WRJPPNLABGTHQG-MRXNPFEDSA-N 434.522 1.333 30 10 IDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760147963 JFFFHDQXJWTKBD-UHFFFAOYSA-N 438.532 1.540 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760182786 MCVVPJCKQWUVLH-QZXCRCNTSA-N 428.624 1.750 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760183640 CJYQGFOXKYSJQG-OAHLLOKOSA-N 449.964 1.704 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1760184207 GVCVNQQSAAZVRF-UWJYYQICSA-N 427.530 1.050 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1760322579 UUQOWCQXHPDTSF-BZSNNMDCSA-N 434.566 1.494 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1760347532 IFENDGHEUMQSDT-UHFFFAOYSA-N 443.596 1.548 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1760485275 XYBAJRCUBVBOLT-MRXNPFEDSA-N 445.524 1.689 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2F)C1 1760534385 XHXXJEIBPUHPSM-MRXNPFEDSA-N 430.484 1.909 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1761542443 HWLIEHHKGVPZRD-WZONZLPQSA-N 435.532 1.718 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCNC(C)=O)c2ccccc2c1=O 1767163264 VLHABECIGNAHFL-OAHLLOKOSA-N 436.520 1.797 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1769273948 YUQRPIQBJQUORK-PXNSSMCTSA-N 433.509 1.816 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1772567426 WZVKQIHHZQXYNS-OAQYLSRUSA-N 429.525 1.052 30 10 IDEE O=C(NCC#CCN1CCOCC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 1850254877 VULASDPTHZSZJQ-UHFFFAOYSA-N 425.558 1.873 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2c(F)cccc2Cl)C1=O 1857150908 RSEJLDZAQCJOKQ-INIZCTEOSA-N 428.855 1.702 30 10 IDEE N#Cc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)c1 1858298084 DYYLIBZUZCLGTA-GOSISDBHSA-N 438.509 1.878 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OC)cc2)cc1 1858969943 ZWGMYLSDKFPKNP-UHFFFAOYSA-N 431.514 1.771 30 10 IDEE COCCCn1c(C(=O)NCC#CCN2CCCCC2)cc2c(=O)n3ccccc3nc21 1889620589 KXFIGZUCOKHJJH-UHFFFAOYSA-N 435.528 1.905 30 10 IDEE C=C(CS(=O)(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)B1OC(C)(C)C(C)(C)O1 2243416755 MPEUNFXEVRFDSD-ZIAGYGMSSA-N 428.360 1.959 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255630630 MVSNMOALFZZJCX-KWUMSVIQSA-N 438.309 1.834 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255833189 YYMOJHNJYXPNOO-KGLIPLIRSA-N 432.330 1.790 30 10 IDEE Cn1cc(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267133819 HLLQKEHWJPZPKK-RCDICMHDSA-N 446.357 1.706 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267522557 WUGFFHQZUGZWGV-RTBURBONSA-N 438.337 1.434 30 10 IDEE Cn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2267537474 QHHYPJAFKVFGER-HNNXBMFYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267613191 UYRCQCHONANNCX-UHFFFAOYSA-N 445.325 1.190 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267882196 PACJFTXXSOCHKQ-GJZGRUSLSA-N 444.341 1.715 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)C(=O)C1 2268723789 AQCOSJOEXPNLRY-INIZCTEOSA-N 449.357 1.902 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2269071658 RPLNLGIRSMWNCI-UHFFFAOYSA-N 439.321 1.697 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(=O)O)cc1 2330717914 GATRQAJVWPEOCI-UHFFFAOYSA-N 432.506 1.455 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1CCS(=O)(=O)C1 83812527 VGLOEEOXAKIMDH-DOTOQJQBSA-N 442.459 1.703 30 10 IDEE CCOC(=O)N1CCN(C(=O)COC(=O)/C=C\c2ccc(OCC#N)c(OC)c2)CC1 97642943 OJXAQZXXUKONNO-ALCCZGGFSA-N 431.445 1.455 30 10 IDEE COc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OCC(=O)NC(C)C 107846161 AIEDHSIXTPLGOS-UHFFFAOYSA-N 437.500 1.828 30 10 IDEE N#Cc1cc(Cl)cc(Br)c1N1CCN(C(=O)CN2CCOCC2)CC1 429206443 UMHYSJNZGKRMPB-UHFFFAOYSA-N 427.730 1.955 30 10 IDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1F 442253641 BSSXSSYQFCWESS-QGZVFWFLSA-N 440.431 1.528 30 10 IDEE N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 443090742 RQEZSELPGRHLNS-UHFFFAOYSA-N 445.519 1.258 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 446636465 GESWUSSEFKWKIY-UHFFFAOYSA-N 440.548 1.593 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(C)c1=O 447274221 ZEWJFGMYRDJLNT-UHFFFAOYSA-N 447.289 1.468 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 461390233 QEABGEHGNFJNJJ-GOSISDBHSA-N 444.561 1.619 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)s1 477441581 FFALFGMFFWETHE-CYBMUJFWSA-N 433.555 1.187 30 10 IDEE CNC(=O)CN(CC(=O)N(C)C1(C#N)CCCCC1)CC(=O)N(C)C1(C#N)CCCCC1 507346780 NNPNXMIGXIVENF-UHFFFAOYSA-N 444.580 1.404 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(CC(=O)NC2CC2)CC1 508741143 VCUFPVZDLMQHNK-UHFFFAOYSA-N 435.576 1.818 30 10 IDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@H]2C1 508944866 HOYAZETUXGMZEA-QGZVFWFLSA-N 435.532 1.772 30 10 IDEE C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510295602 ASOIXRRZDWJWMI-CQSZACIVSA-N 433.921 1.940 30 10 IDEE C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)C(C)C 516669601 XKSGTOUHIWRDJB-NHCUHLMSSA-N 426.561 1.891 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1C[C@@H]1CCCO1 516830274 QPHQWPRCAKWEJP-AWEZNQCLSA-N 432.571 1.137 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)C[C@H](C)O1 546883352 LFBZALVFMNLSIR-ROUUACIJSA-N 435.532 1.994 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)C2)cc1 552135233 ZRVLYTOISGZVHP-UHFFFAOYSA-N 429.473 1.927 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 555237793 OIIOSITUABYREF-BBWFWOEESA-N 426.587 1.011 30 10 IDEE CN1C(=O)C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 578267819 BDCWYLAJGSACDQ-PXNSSMCTSA-N 446.916 1.578 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 579650408 HNXZEQWWPWPHNL-UHFFFAOYSA-N 440.525 1.566 30 10 IDEE N#Cc1cccc(C(=O)OCCN2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1 586394892 WXBUYRKNUGXJGC-UHFFFAOYSA-N 446.463 1.155 30 10 IDEE N#Cc1ccc(CNC(=O)Cn2ncc(Br)c(Br)c2=O)cc1 603614688 OKUQKDVOUYPTPQ-UHFFFAOYSA-N 426.068 1.956 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCCO1 603800680 XUNCRBIMQSUAAH-MRXNPFEDSA-N 431.945 1.770 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c(F)c1 609254158 CHPUYSBDKCRALU-UHFFFAOYSA-N 442.476 1.790 30 10 IDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(c2ncccc2C#N)CC1 619510046 GILWYVSAFBRLBL-INIZCTEOSA-N 442.545 1.353 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(C)C)cc1 729668508 KWCVBUHPBILYGR-UHFFFAOYSA-N 443.532 1.919 30 10 IDEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1 730143840 WUUNAPZVICXKQU-GOSISDBHSA-N 447.605 1.827 30 10 IDEE CCOc1ccc(C2(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCOCC2)cc1 732453347 CQHVPIQQNHUBNL-MRCUWXFGSA-N 442.516 1.959 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1)c1ccccc1 732795712 UVMKSRVZZBBLQU-GOSISDBHSA-N 435.505 1.848 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 735851613 BGJFGXNJJPUKKO-FKEVTRRJSA-N 427.379 1.478 30 10 IDEE C[C@H](c1ccccc1)N1CCN(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 741341496 QOGWGNTXMKMPOO-LBNMDVIHSA-N 440.500 1.352 30 10 IDEE O=C1c2ccccc2C(=O)N1CC=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1 755585880 BNIGQOOSINKIDD-UHFFFAOYSA-N 427.486 1.950 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](NC(N)=O)C2)cc1 762947578 NVMCRFKNTJSRMU-JRCVOMKHSA-N 436.538 1.554 30 10 IDEE COc1cccc(Cl)c1CC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 765577210 BCMQDXJJANQMOJ-UHFFFAOYSA-N 432.864 1.951 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)c1 782726678 QDBCUGQSFWGESY-UHFFFAOYSA-N 436.294 1.403 30 10 IDEE C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)NC1(C#N)CCC1 787599668 HVWQSYSMJUVMAW-HNNXBMFYSA-N 448.545 1.645 30 10 IDEE Cc1oc(C#N)cc1C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 797955023 BDZWYRHWAFOXFU-UHFFFAOYSA-N 431.470 1.831 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)NCC(=O)Nc2ccc(I)cc2)cc1 803490018 DXQDJBMWJNCENG-INIZCTEOSA-N 435.221 1.951 30 10 IDEE CN(C)c1cnn(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 816772650 HVZIYPTUHLNZMB-UHFFFAOYSA-N 430.534 1.241 30 10 IDEE COc1ccccc1NC(=O)COc1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1OC 820185901 RLBZUMHXAZBUTQ-OAHLLOKOSA-N 429.429 1.441 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 916892713 LVUJBLXJQYUDTM-IBGZPJMESA-N 433.530 1.787 30 10 IDEE Cn1cc(/C=C\C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 916948121 DPNCWTGSBOLYRM-QWUACUGRSA-N 441.513 1.955 30 10 IDEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 1131664181 PMACCPDOVXOWGM-SFHVURJKSA-N 447.557 1.030 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn1 1252076989 OYHKNZHAVGCILM-UHFFFAOYSA-N 430.943 1.395 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1274999784 VEGCQXORDAZLKN-JOCHJYFZSA-N 433.424 1.319 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286271334 SBVZWZORZLOITG-QGZVFWFLSA-N 440.523 1.996 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1286279524 VYINUBGCOIVIIP-OLZOCXBDSA-N 427.477 1.703 30 10 IDEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286314584 QUNKPAMEGISNGO-GOSISDBHSA-N 430.553 1.103 30 10 IDEE C#CCCCCn1c(C2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286322573 CCFQOMLAQCTHIK-UHFFFAOYSA-N 440.552 1.206 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1286361225 MHNKZZQRNASPQP-HOTGVXAUSA-N 446.577 1.534 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1286420050 KVGKUUQSZBXJRS-RTBURBONSA-N 434.610 1.616 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286475610 CPYOHBBVBDRMAI-IBGZPJMESA-N 438.557 1.397 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286551383 HNJUDYDQGCLYIU-BDXSIMOUSA-N 435.525 1.624 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286555519 YEWAVDGGLUKOEC-JAYZULETSA-N 433.553 1.698 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 1286786077 XCKUXYQQSZDRBE-UHFFFAOYSA-N 428.500 1.841 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccs2)CC1 1286820530 MVKKQTPCWHVRQN-MRXNPFEDSA-N 437.591 1.771 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286826928 XMEGWWMPAFKGFK-OAHLLOKOSA-N 435.575 1.579 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccncc2)n1CCCCCO 1291194574 ACIJKBVHTZWSQO-SFHVURJKSA-N 447.547 1.803 30 10 IDEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1294345416 GPQBWGBQOPMBFX-QQMHEVNUSA-N 443.552 1.500 30 10 IDEE CCS(=O)(=O)N1CCC(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1296190495 WCVFDUYBWWCUTK-UHFFFAOYSA-N 441.594 1.815 30 10 IDEE CCS(=O)(=O)NCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1297790121 DIMKCIAESAFTHF-UHFFFAOYSA-N 446.581 1.108 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1300421443 GVDMOJZDGDRGJL-SFHVURJKSA-N 442.589 1.842 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccc(F)cc1 1300466175 UXKOWXYCVWNEDM-SFHVURJKSA-N 449.552 1.797 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1300499596 VMSZCPPPDVDKGX-MSOLQXFVSA-N 448.520 1.050 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)CN(C)C)CC1 1300685635 RFTKKJDLHDGKER-HSZRJFAPSA-N 432.613 1.662 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC[C@@H]2C)CC1 1300685647 RITOIMPNGHUFLU-NZQKXSOJSA-N 430.597 1.558 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1300873240 IMNKMKGTMRJHOO-DOTOQJQBSA-N 439.582 1.411 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1300916027 RYDXWMKKWVDNED-HNNXBMFYSA-N 440.595 1.827 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1301252827 RDGNZBKSYBHADU-GOSISDBHSA-N 430.553 1.803 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1301261588 JWOCTZFSVSWPOT-INIZCTEOSA-N 434.541 1.879 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCO[C@@H]1C 1301426245 QJQJIQIEVSYYBG-VGOFRKELSA-N 426.521 1.695 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)OC 1301584464 APLLYLSPMNFRGJ-UHFFFAOYSA-N 446.533 1.663 30 10 IDEE C[C@@H]1CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1305048551 KBAODTVJEODNKA-UFOSLELVSA-N 436.476 1.441 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@H]1N1CCOCC1 1305149222 NSLFAGWNJNFOPT-RXVVDRJESA-N 440.548 1.373 30 10 IDEE Nc1nc(NCC2CCN(S(=O)(=O)C(F)F)CC2)nc(C(F)(F)C(F)(F)F)n1 1306966948 GCMWUPBPFBASQO-UHFFFAOYSA-N 440.345 1.784 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(OC)c(C#N)c2)cc1 1311119897 BGIOOIFZTGKXGG-UHFFFAOYSA-N 431.470 1.976 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)c1ccccc1 1312938812 ABOQSXMXZLRDMJ-KRWDZBQOSA-N 447.538 1.925 30 10 IDEE C=CCO[C@H]1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1337635541 FJLXEGXJFMOQSV-INIZCTEOSA-N 449.529 1.573 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCS(=O)(=O)[C@H]4CCCC[C@H]43)C2=O)cc1 1340125304 IFXKGWDBKQJMDK-KURKYZTESA-N 444.513 1.331 30 10 IDEE O=C(CC#Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1349661600 RNQMJZNLPQEJCP-UHFFFAOYSA-N 426.494 1.733 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1358889543 DFFMUFCGTBJALB-IEBWSBKVSA-N 443.573 1.523 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1358985283 UWWGPIKUTRRBGR-AVRDEDQJSA-N 443.573 1.649 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C 1359024225 IIEDFYSOISSDBS-GOSISDBHSA-N 432.546 1.654 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1359056325 COYHOYVUJITJLF-IAGOWNOFSA-N 448.618 1.664 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2)CC1 1359304358 WIWYNJFGNZBYLV-UHFFFAOYSA-N 429.569 1.157 30 10 IDEE C=CCSCCn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359342199 RKLVGBHHQOQCMY-QGZVFWFLSA-N 441.623 1.706 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3c(C#N)nnn3Cc3ccccc3)C2=O)cc1 1437523043 PHILBKWGYOTRAU-QHCPKHFHSA-N 443.467 1.912 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1447835399 ARHWNUHWWJSKLC-UHFFFAOYSA-N 425.463 1.729 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 1450213367 SPMYHJZFWBHDDU-UHFFFAOYSA-N 425.510 1.668 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)c1 1453987721 MOZGPWYUWHDDEK-KRWDZBQOSA-N 428.470 1.674 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C(=O)OC)CC[C@H]3C(=O)OC)ccc2c1=O 1457932253 DOCDCPQXULJFFZ-BBRMVZONSA-N 445.497 1.438 30 10 IDEE N#CCCN(CCC#N)C(=O)CN[C@@H](CO)c1ccccc1I 1460913302 HQSBAWWUYPDEMK-HNNXBMFYSA-N 426.258 1.570 30 10 IDEE O=C(N[C@@H](CO)C(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)n1 1464381003 MQKQGKSDNIEJNJ-NGZCFLSTSA-N 431.308 1.901 30 10 IDEE C#CCN(CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)C(=O)OC(C)(C)C 1467988842 IJOOHFNFSBRDAM-MRXNPFEDSA-N 425.526 1.999 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1470618429 NKAAPENVWNUVEW-UHFFFAOYSA-N 441.513 1.460 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@H]1COCCO1 1494135761 GXAGTBXXCXUXMB-SJORKVTESA-N 440.552 1.659 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1 1507593182 KEUVIPZJOKGKPI-UHFFFAOYSA-N 440.617 1.625 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1507633007 CGXPHVKFBQGSSY-KRWDZBQOSA-N 447.536 1.161 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507638558 GFEJFYMRWRQKRK-OALUTQOASA-N 445.589 1.742 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC(=O)N1 1507681482 VCLNZXPDPMNNQR-OAHLLOKOSA-N 429.550 1.285 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc([C@@H](C)O)cc2)CC1 1507720599 UXEBBSHBGDDKMG-RTBURBONSA-N 427.549 1.859 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC[C@@H]2CO)CC1 1507883875 BELFIFJDANCDRL-RBUKOAKNSA-N 437.610 1.574 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(C)(=O)=O 1507970010 CAZJJWOXTVPKQM-UHFFFAOYSA-N 426.568 1.213 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1508025022 OMSAVPYYPZFSPE-LJQANCHMSA-N 445.589 1.894 30 10 IDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1508040206 UKGQCWQQMXQEIJ-GOSISDBHSA-N 440.552 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1508138899 AHBODJLGBJHFPX-SFHVURJKSA-N 433.582 1.344 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508140169 GPUWGKYXSVRFFS-FOIQADDNSA-N 439.582 1.471 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1508169996 NZGOQMYUYPOESA-FUHWJXTLSA-N 434.610 1.838 30 10 IDEE Cc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1510788136 SYYPYKJHWMTOOJ-HGENEIFLSA-N 439.476 1.040 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)c1 1511217386 HPGNFVHAVXHOHL-GOSISDBHSA-N 440.504 1.176 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1512496385 DYINRPPYUUCMQS-OAHLLOKOSA-N 433.472 1.496 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514285569 HYQJSVONEZMLQU-NLWGTHIKSA-N 443.596 1.901 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1518636825 DINBEBPNHPTTDK-NHCUHLMSSA-N 438.532 1.927 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1519191801 GPVNIUAEWLNJLW-HOTGVXAUSA-N 444.923 1.822 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1519325393 FWKZAUJDUWLWMW-CBGDNZLLSA-N 433.509 1.848 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CCN1C1CC1 1521128541 DOISZXCAFPSVDS-UONOGXRCSA-N 443.499 1.701 30 10 IDEE C#Cc1ccc([C@H](OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C(F)(F)F)cc1 1525703818 FYWTYUDNKITOFK-PBHICJAKSA-N 442.415 1.980 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(Cn3ccnn3)c2)c1 1526859912 KBMDPKPEGVSVNU-UHFFFAOYSA-N 429.480 1.813 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1531588280 YCRIJQNOPJUZQL-IBGZPJMESA-N 442.493 1.940 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539221619 QRVIEGZPMNXFTP-FGTMMUONSA-N 447.561 1.305 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)nc2)CC1 1539428229 NYJONAAOTHDFJG-UHFFFAOYSA-N 425.537 1.404 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCSCCCO)CC1 1539480909 GHIFRKDGNQEMTK-SFHVURJKSA-N 435.594 1.601 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@H]2C)CC1 1539487836 ADROHQBLQIDBHD-IEBWSBKVSA-N 426.565 1.803 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539507723 ZWGUTCDUSFNDRN-HNNXBMFYSA-N 429.546 1.996 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539524692 NBLQPPWVDLCJKP-QGZVFWFLSA-N 425.624 1.895 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1 1539722968 VMQYROYXBXXABY-KRWDZBQOSA-N 437.508 1.951 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539870955 FASHOOSCDNBRGV-FQEVSTJZSA-N 439.582 1.149 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1539902614 LJJLUZLKXASICY-HZPDHXFCSA-N 426.587 1.011 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540033568 LPRRTAOLZIMUSC-ZWKOTPCHSA-N 440.552 1.717 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)CC1 1540909058 WDMBSLLJLAYIAU-UHFFFAOYSA-N 438.575 1.335 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CC#N 1542027739 DGRDSNLCTJLLRG-MRXNPFEDSA-N 427.509 1.860 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCN3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 1543001838 DYOAPDPEYKZGSC-CALCHBBNSA-N 441.584 1.326 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1544567047 CQBJUPZILUMEIE-IWHJNQCMSA-N 429.525 1.060 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCO[C@@H](C)C1 1546532554 PTLWONOBRFYYMA-IBGZPJMESA-N 438.580 1.935 30 10 IDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 1554328987 TXKBHRRJUUCNPI-QGZVFWFLSA-N 436.495 1.902 30 10 IDEE COCC1=CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555320411 HZJGPKZLZYTZQR-GRNWLOBZSA-N 442.520 1.829 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)C1=O 1561513559 KLZIHWJRLBTRET-GOSISDBHSA-N 433.534 1.499 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCC1 1565345169 FOXBOOSLPCXNOT-MRXNPFEDSA-N 435.550 1.757 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)NC1CC1 1587632085 IJZYZJRWNOFHRV-QGZVFWFLSA-N 436.564 1.969 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1588024992 QYOZRBDISYMLKU-MSOLQXFVSA-N 431.562 1.497 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1588049903 NBNJXHXBBXSBQM-WOJBJXKFSA-N 442.589 1.841 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1588646764 MXBGGRMBVUAAGR-KRWDZBQOSA-N 446.529 1.086 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1589109646 IGYYEDIPXJDVDG-KRWDZBQOSA-N 427.578 1.884 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1616144960 FIJCZOWCZGPZJQ-DHIUTWEWSA-N 438.532 1.917 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ncccc1C 1616922579 FCKCRRDRMVYTCS-KRWDZBQOSA-N 433.520 1.943 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2OCCC2(C)C)CC1 1619548215 KXSMMCOBSGTDLT-IBGZPJMESA-N 438.532 1.927 30 10 IDEE COCCOC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1620051748 VJAQLSGIAIOQDG-HNENSFHCSA-N 446.552 1.734 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CC(N)=O)C2)n(Cc2ccc(F)cc2)c1C 1620471134 HAUGWMDRTXNWAR-GOSISDBHSA-N 427.480 1.679 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)cc1 1622886676 PCCHODYQPRAMFX-GOSISDBHSA-N 441.575 1.924 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=C3CCCN=C3NN2)cc1 1626285114 CGHGQYNNSXHIAR-KOEQRZSOSA-N 430.534 1.772 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)n1 1626715361 YKUHQYMPRTZYAE-LJQANCHMSA-N 434.537 1.907 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1628547601 HKVMZBAPRJLERE-OAHLLOKOSA-N 439.877 1.956 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 1629539746 FUWGWWXXZVRSMB-QFIPXVFZSA-N 442.472 1.941 30 10 IDEE CO[C@@H](CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)[C@H]1CCOC1 1636834780 KQNMCQZQXHVGSK-JXFKEZNVSA-N 426.521 1.918 30 10 IDEE COC(=O)C[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1638509934 DPSQGVSYAINUBB-INMHGKMJSA-N 435.546 1.797 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1639636369 FNPDNVIUQSOJNE-QGZVFWFLSA-N 427.526 1.872 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 1640218810 KJTYUNHMTQXGMD-FQEVSTJZSA-N 440.525 1.604 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640503209 DXUJKDIKJPNTRX-ACJLOTCBSA-N 431.470 1.507 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@H](O)C1 1643023769 RQFAROQUWRPGHY-RYQLBKOJSA-N 428.489 1.398 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H]4OCCNC(=O)[C@H]43)C2)C1 1643301113 WNCVIFANXIETGD-HXSAITOGSA-N 432.521 1.279 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)ccc1F 1651995311 JMDUTNBFEKPAKL-QGZVFWFLSA-N 438.452 1.943 30 10 IDEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc21 1660071926 JJSKENNPLAUSCT-ZIPFOMIPSA-N 432.502 1.351 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 1664032209 LVBGLTSEPSEUED-OAHLLOKOSA-N 436.511 1.116 30 10 IDEE C#CCN(C(=O)Nc1nc(CS(C)(=O)=O)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1668321487 QCQWSAQYLOKBSO-UHFFFAOYSA-N 441.510 1.481 30 10 IDEE N#C[C@@]12CN(C(=O)NC[C@@H]3CSCCN3Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 1671605832 FURPYHOUZBNURQ-NSHGMRRFSA-N 434.587 1.184 30 10 IDEE C[C@@]1(C[C@@H]2CCCN2C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)NC(=O)NC1=O 1682384366 CNVOYKZMBTWPQZ-CVDCTZTESA-N 438.532 1.685 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1689866348 AMWSRIJBVUXZMS-HRCADAONSA-N 429.529 1.584 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1689980391 QWSIFFDEBGGCEN-WMZOPIPTSA-N 448.545 1.383 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1689980495 SRCIDSQUIPRXET-IEBWSBKVSA-N 447.561 1.381 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689980929 ZQUVSLOMGVRXPP-QZTJIDSGSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1689990534 PQGMXCIUEKYHQQ-MSOLQXFVSA-N 445.545 1.598 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1690057595 DFRWXRHKJRABQI-ZWKOTPCHSA-N 431.924 1.861 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1690093987 PIXGPFLXRLUOHV-INIZCTEOSA-N 427.571 1.060 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1=CCCOC1 1690101258 UTFZZBZNJJTQKA-UHFFFAOYSA-N 444.561 1.671 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(F)c2)CC1 1690130649 KKCLFTLYNGVQDP-UHFFFAOYSA-N 426.496 1.374 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690326635 AEEXMEGKDVSWDV-UHFFFAOYSA-N 434.932 1.602 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1690670530 DFCTYURRUKDARP-LJQANCHMSA-N 440.548 1.415 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1690679095 KKNOTGZZJOINDD-CRAIPNDOSA-N 446.533 1.230 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CO)CC2)cc1 1690679345 RAGNMWUWMSRRNH-INIZCTEOSA-N 449.577 1.710 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1690692491 ZJPHGILJOWOIHH-IBGZPJMESA-N 444.561 1.926 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCS(=O)(=O)CC1 1692162671 ISOQPWAQQOJXJA-UHFFFAOYSA-N 444.561 1.836 30 10 IDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CC1(O)CCS(=O)(=O)CC1 1693497017 XYEIYTBORWCPFD-HXUWFJFHSA-N 443.573 1.857 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693819171 XNQZZKOERZTGNG-MSVBSMQLSA-N 440.479 1.760 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1694352669 DLWQGZFRLTXGMZ-UZLBHIALSA-N 435.598 1.363 30 10 IDEE CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1695631768 CEZQFBIWYKLLPD-MRCUWXFGSA-N 434.504 1.889 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1698005491 SCBLNLHOBYQAAH-KRWDZBQOSA-N 443.552 1.578 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705536498 POBLLHGWWHWDFV-UHFFFAOYSA-N 448.575 1.577 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1705565195 TUXSEOJGJSPFDV-PGFLUOATSA-N 444.557 1.502 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1705585294 PWLRAHBSOCESLZ-NRFANRHFSA-N 445.445 1.923 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCNC(C)=O)CC1 1705648930 DKGNUMYRDSVCFW-UHFFFAOYSA-N 438.532 1.446 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1705693289 DWFKVMRKVCJMJU-NVXWUHKLSA-N 446.533 1.141 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1705694883 UFXJRMIABXIXIJ-YLJYHZDGSA-N 444.580 1.989 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)C)C1 1705844223 XYGPGUBCSYRYRY-QZTJIDSGSA-N 440.614 1.354 30 10 IDEE C=CCn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 1705893764 SKGZWBMSXRCQAH-JOCHJYFZSA-N 426.521 1.542 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1706222372 HQOPABYOHRCTPI-MRXNPFEDSA-N 439.520 1.654 30 10 IDEE CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1711394173 YAHMZQNWAQCSOB-FQEVSTJZSA-N 449.559 1.981 30 10 IDEE CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1711540536 PVFMFGPWUZUNKV-KRWDZBQOSA-N 427.509 1.622 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1711982823 SKNKYZUCGBVCIW-GOSISDBHSA-N 447.561 1.821 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1 1712102838 HNVJEJKEOUZSTR-IBGZPJMESA-N 438.532 1.927 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CCCO 1722284059 YTLAVOYHOFTTKU-PKOBYXMFSA-N 445.589 1.653 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722317258 ROVYYPAGYJQQGO-BZSNNMDCSA-N 439.582 1.418 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722333648 NIUCZZXYDRTEIC-NRSPTQNISA-N 428.581 1.574 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1722344075 LWQMITQICSFHGV-JOCHJYFZSA-N 446.573 1.981 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCN1CCCS1(=O)=O 1722357612 KPSJAXFGMGIKQO-UHFFFAOYSA-N 435.575 1.684 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1722367717 WYHVDDJMZWCDSK-SJORKVTESA-N 430.578 1.928 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722370510 NZPSWXQCFPLPEU-OALUTQOASA-N 437.610 1.563 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1722410914 SVJAPHIKNNFDHW-LEWJYISDSA-N 436.560 1.694 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc(Cl)cn2)CC1 1722433152 NBBRMJNUYPQCEK-NRFANRHFSA-N 447.971 1.624 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC(F)(F)C2)CC1 1722441181 NALKJFODVZHBCP-MRXNPFEDSA-N 448.518 1.915 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCNC(=O)C2CCC2)CC1 1722448602 VZVKWEHXTMKUDT-UHFFFAOYSA-N 426.565 1.818 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722453452 SZGQVDJTBMDDJZ-HNNXBMFYSA-N 427.596 1.186 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1722616693 BLDSHSUDXQYFTK-MSOLQXFVSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1722698743 LJEBKGKICVBJNT-IBGZPJMESA-N 445.612 1.079 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722728477 UWYKDCOKZZIFIN-KGLIPLIRSA-N 429.568 1.132 30 10 IDEE CC(C)(C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1722961437 HWGZCNLMONMGPO-DNVCBOLYSA-N 442.561 1.879 30 10 IDEE Cc1ccccc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1724574699 GCEKFUGARDHNHO-XAIYEJPOSA-N 435.488 1.092 30 10 IDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)C[C@@H](C)O2 1726666910 QSUMZBBXHSXBPS-STSQHVNTSA-N 441.532 1.988 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1726781021 JLQSBIBRFQTSGZ-FQEVSTJZSA-N 439.564 1.890 30 10 IDEE CN1C(=O)C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCCCO)CC[C@H]21 1729564393 HWQUGSJDVMXHFY-AZUAARDMSA-N 438.532 1.948 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740622292 WVPDPEOTKTUHMW-MRXNPFEDSA-N 428.518 1.563 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1740626266 WGVAENIDSKSMID-QYZOEREBSA-N 447.605 1.854 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CN(CC)CC)cc2)CC1 1740694383 IFKFUUUTALLDKR-QFIPXVFZSA-N 449.603 1.875 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2ccco2)CC1 1740705275 FGXAENDFINCHQZ-FDDCHVKYSA-N 441.532 1.639 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)CCC)CC1 1740825805 UQQBDPACVJMNKX-VQIMIIECSA-N 427.571 1.319 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1740863164 QJFUOMSKYGBJPP-HOTGVXAUSA-N 429.612 1.909 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Oc2ccccc2)C1 1740950788 HROMIDUGXFDAQH-SFHVURJKSA-N 426.521 1.766 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1741034036 OREBIIYTMGETKS-INIZCTEOSA-N 425.493 1.218 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1745341875 NVEGJUWUZCBTMV-UFVMTTLYSA-N 437.504 1.872 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1745954374 ULGYMFNQUDZFPO-SFHVURJKSA-N 449.602 1.946 30 10 IDEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 1748774975 AUUBRBLVKNQYHE-FQEVSTJZSA-N 434.587 1.895 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1748944860 HMHHPPIXMJSXPC-FUHWJXTLSA-N 445.520 1.238 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CCSC2)CC1 1749010265 JYEMMIQIFDLULC-OAQYLSRUSA-N 428.562 1.117 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749269043 MBVROSBCCACFQI-HZPDHXFCSA-N 429.974 1.929 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1749507106 SGCKEBHJXDBTBI-INIZCTEOSA-N 434.541 1.831 30 10 IDEE C[C@H](O)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1751245590 CPDVGUOEGUXZRG-TYILLQQXSA-N 436.513 1.432 30 10 IDEE CC1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1751291537 FJEOMTSNVFBLKJ-HNENSFHCSA-N 427.509 1.306 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760136238 FGEGLZNJOBWLOP-IAGOWNOFSA-N 433.520 1.409 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760189853 MHVNVDQNTPGWSW-RTBURBONSA-N 429.546 1.460 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1760225373 OLVWAHFFAOGMSW-INIZCTEOSA-N 427.534 1.582 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1760260423 ROFYRWFBCVJJLE-HNNXBMFYSA-N 433.438 1.447 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760276822 QASLXBLKJCZETQ-HNNXBMFYSA-N 431.953 1.916 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760359585 RWJCSMDFTCDREK-UHFFFAOYSA-N 425.537 1.644 30 10 IDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760438969 SOBVOZZOTTXDAV-SFHVURJKSA-N 425.537 1.959 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1760522218 OEHXTWWJVLMBLX-HOTGVXAUSA-N 447.540 1.485 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1760525740 PHHKDUJXZHSRGP-WJOKGBTCSA-N 438.557 1.940 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccs2)C1 1760534582 BRXHCDSKWKMVHL-KGLIPLIRSA-N 426.568 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1760553573 FMCGGXAZBULPHO-HNNXBMFYSA-N 449.581 1.585 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760772196 NTWFSBXLTSURIC-HSZRJFAPSA-N 435.532 1.838 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC(C)C)cc1OC 1764594131 CGBVKRHRNKWYEW-QGZVFWFLSA-N 442.520 1.996 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1764995069 DBHJSJNKOUAOHW-QGZVFWFLSA-N 442.545 1.499 30 10 IDEE CCOCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766450155 NRMMNYZIXAXQQB-OCWZUINPSA-N 442.442 1.976 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1768519327 UHQVXJZUBCLLQF-UHFFFAOYSA-N 448.531 1.051 30 10 IDEE Cn1ccc(CCn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)n1 1769022295 DAQRJQYDZHNQGU-HNNXBMFYSA-N 445.325 1.751 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2)CCO1 1769241437 BOWFTQLUSCCYDG-HXUWFJFHSA-N 437.548 1.644 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1770117387 XMKMZBJGXCZPAX-QHAWAJNXSA-N 441.532 1.988 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1770318209 VVBBJXYZXLXJQF-IBGZPJMESA-N 426.546 1.702 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCCn2cnnn2)CCO1 1770748322 YIEKFVUTYWFPLS-OAHLLOKOSA-N 444.297 1.513 30 10 IDEE COCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1771274036 LQONKEROQICLIZ-UHFFFAOYSA-N 437.504 1.595 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1771343996 ALORVZZJAOEEKO-SFHVURJKSA-N 440.533 1.512 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H]1CC 1772660248 MMRSHUMGHPNSGM-QGZVFWFLSA-N 442.549 1.900 30 10 IDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)OC[C@H](C#N)Cc1ccc(Br)cc1 1850657502 SAGNNNBSDXEBGA-DZGCQCFKSA-N 429.292 1.278 30 10 IDEE CC(=O)N1CCC(C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)CC1 1851720225 MYNWUBUJQCKRLQ-UHFFFAOYSA-N 425.942 1.592 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCN(C(=O)c4cnn5c4CCCC5)CC3)cnc2c1C#N 1852897918 PRDSMYNJXOQXPY-UHFFFAOYSA-N 432.488 1.349 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cc(F)ccc1F 1856263972 MYMNJTHJLJIPQN-GFCCVEGCSA-N 434.424 1.434 30 10 IDEE Cc1c(Cl)cncc1C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857154151 RRYCRGPJEFSICI-QGZVFWFLSA-N 425.880 1.267 30 10 IDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc3c(c2)OCCO3)c1 1862561805 UNPKALIJULIOJT-HXUWFJFHSA-N 437.452 1.754 30 10 IDEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCNC(C)=O)C2=O)c(OC)c1 1863416347 SMCXCEXSISCGMJ-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE N#CCc1[nH][nH]c(=NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1C#N 1866011864 IMNWAENRVFIMDD-UHFFFAOYSA-N 432.893 1.850 30 10 IDEE CCOC(=O)[C@H]1CCCN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C1 1868783460 RLPXDSUHBWSPAN-ROUUACIJSA-N 446.573 1.943 30 10 IDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCC(N(C)C)CC1 1870535135 IHJDTHUQZYVYEO-UHFFFAOYSA-N 447.624 1.397 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCCO 1870548670 ACZQELDJDRVMPX-FQEVSTJZSA-N 433.549 1.421 30 10 IDEE N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 1871287785 KRUJOFLJRXARPW-UHFFFAOYSA-N 432.483 1.382 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255594345 CBEVDZHMNMELCO-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2255598660 XYYIDJKWVHGEMW-QGZVFWFLSA-N 426.326 1.340 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](OCc3ccccc3)C2)n1 2255622380 YXTNSAUQKXVUGS-QGZVFWFLSA-N 426.326 1.936 30 10 IDEE C[C@@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255622995 HYUGKSUDSNIQDZ-AWEZNQCLSA-N 436.362 1.952 30 10 IDEE Cc1c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630698 NTJCGGVWBQIXFG-KBPBESRZSA-N 434.346 1.813 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)ns2)OC1(C)C 2255635938 NLWMSRRZCKMTJB-LLVKDONJSA-N 447.288 1.973 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)n1 2255653926 PNLAFIBKMCNBSD-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267137254 LPMIRHKGPATKEG-FOLVSLTJSA-N 446.357 1.797 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267167661 JKAWSYVFLYNCFI-YPMHNXCESA-N 442.247 1.447 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2267178096 XMMFFJAURCLADB-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267186041 DOQGLXQCZXVXAU-GJZGRUSLSA-N 446.357 1.801 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CC1CN(C(=O)OC(C)(C)C)C1 2267517432 SZVALEQBHLXRSK-UHFFFAOYSA-N 448.373 1.967 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO[C@H]1C2 2334263011 DTPYHYLQIBNJPC-DGCWBMGLSA-N 448.329 1.263 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1c[nH][nH]c1=NC(=O)OC(C)(C)C 2337203743 BSMHQMDHYRVJTE-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE CC(C)c1ccc(N2C(=NC(=O)COCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254520772 AMSOHEQSMXODTP-HUUCEWRRSA-N 426.516 1.513 30 10 IDEE C=C(CO)[C@@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@@]2(O)C3=O)O1 257489092 MYQAATJJIDGOMQ-GRWTVWFQSA-N 426.421 1.780 30 10 IDEE biogenic CCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CCC1 430972824 UOWMOZUBZUUCOM-UHFFFAOYSA-N 439.566 1.911 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@H](C)O1 436089602 CBDLLWPCMUVLSP-IRXDYDNUSA-N 432.546 1.088 30 10 IDEE COc1cnccc1[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 446092186 UNVISSUVHNOFOQ-HNNXBMFYSA-N 429.502 1.739 30 10 IDEE CC(C)(C)[C@@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 464712988 RTDCIYMSRGENIS-CYBMUJFWSA-N 430.324 1.857 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n(C)n1 470199968 IKDZRYPQWNDRRD-WBVHZDCISA-N 430.534 1.052 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3cc4c(s3)CCCC4)CC2)c1C#N 471698097 OIWMLXQHLXYEEN-UHFFFAOYSA-N 426.546 1.619 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 480092076 IJUVWSKAYDYWHN-INIZCTEOSA-N 433.493 1.021 30 10 IDEE COCc1nc([C@@H]2COCCN2C(=O)CCC(=O)N(CCC#N)c2ccccc2)no1 501926836 VYRWQZPEHRFCOC-KRWDZBQOSA-N 427.461 1.843 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCCC)CC1 515558843 HVFFPRFVWVFDSG-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 521002073 WLLCESTYNDMNHG-GUDVDZBRSA-N 447.557 1.651 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 524412465 IBVUHOVILCOLOU-ZDUSSCGKSA-N 449.454 1.288 30 10 IDEE Cn1c(=O)c2ccc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)nc2n(C)c1=O 542946643 RUUGUALSFOMRHG-UHFFFAOYSA-N 435.831 1.595 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)n1 544834040 TUJUECRPFHROBM-HXUWFJFHSA-N 439.541 1.845 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 549681888 RXCXABUQBJOUDB-IRXDYDNUSA-N 437.570 1.183 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCOC3)CC2)cc1 574697882 AZCCNZVVMDDJIJ-RTWAWAEBSA-N 438.532 1.596 30 10 IDEE C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1)N1C(=O)c2ccccc2C1=O 586017491 BSPWGSLKDZZFNM-YJBOKZPZSA-N 430.464 1.964 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(F)c1 586809395 FJJLXTUSSMZRRA-LJQANCHMSA-N 438.459 1.539 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 609045538 UKRCOBWFHXJSLD-UHFFFAOYSA-N 447.542 1.251 30 10 IDEE CC[S@](=O)CCNC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 735198180 DBUUOXJSSCBBFT-PMERELPUSA-N 426.494 1.696 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NN=C2CCC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])c1 741451211 MQAFQYGTRZUAOA-MRXNPFEDSA-N 432.524 1.990 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccccc1S(=O)(=O)N1CCCCC1 742175016 PJQCTXOWCMQCEQ-UHFFFAOYSA-N 434.543 1.992 30 10 IDEE CCC(=O)NCc1cc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)ccc1OC 752591528 CXBBTNGLQDNHBS-AWEZNQCLSA-N 445.497 1.865 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 757200292 MCYYFUDLCGSBCR-SILNSSARSA-N 442.563 1.540 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc3ccccc3cc2NS(C)(=O)=O)CC1 758662663 OUXLRGXNGMZNFA-UHFFFAOYSA-N 430.530 1.271 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cccnn1 766413254 BMZATGHXQUOOBE-SFHVURJKSA-N 442.545 1.685 30 10 IDEE CCS(=O)(=O)N1CCC[C@H](C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)C1 770861797 YIMMONFSFNSUCL-QFIPXVFZSA-N 448.585 1.865 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(-c3ccccc3C)c2=O)cn1 772279189 QBZWFCQVSUAYLM-UHFFFAOYSA-N 449.536 1.160 30 10 IDEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 775135277 WPPURAITWPSVJB-IRXDYDNUSA-N 427.567 1.902 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(S(=O)(=O)CC3(C#N)CCC3)C2)C(=O)C1 790051324 NXGQIDIJEZGMBU-INIZCTEOSA-N 440.566 1.554 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 790107532 DYTLFRDSUJDTAS-LJQANCHMSA-N 438.484 1.316 30 10 IDEE C[C@H](CC(=O)N1CCO[C@@H](COc2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 791149140 RWUDRQXDRWSMTK-SJLPKXTDSA-N 443.525 1.810 30 10 IDEE CCn1nccc1CN(CCO)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 797617237 QXZYBIPYNUCMST-NMWGTECJSA-N 448.549 1.742 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 803699199 VEIFJOZXLUKOFQ-SFQUDFHCSA-N 425.466 1.440 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)CC1 804346835 UCIIACHIARLUHI-UHFFFAOYSA-N 435.553 1.733 30 10 IDEE C#CCC(CC#C)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 806849790 PQQKGTQVWPZVCJ-UHFFFAOYSA-N 432.542 1.884 30 10 IDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1 808113542 IEVJOKPNQORBDH-GFCCVEGCSA-N 437.499 1.728 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 809889657 IPOMDGQBZGXMIA-QGZVFWFLSA-N 436.557 1.541 30 10 IDEE C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1cccc(NS(C)(=O)=O)c1 813594002 WQYIWNRQTDVHAA-HNNXBMFYSA-N 428.518 1.918 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC(C)(C)C)COCC3)C1=O 1135045180 MVPCJQFEKKJWJM-UHFFFAOYSA-N 449.485 1.691 30 10 IDEE Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1B1OC(C)(C)C(C)(C)O1 1135370408 PERQNFCFQGCCEM-UHFFFAOYSA-N 444.362 1.914 30 10 IDEE CN1CC[C@](Cc2ccccc2)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 1138108384 NDCUVKYYUBQNPR-BSRJHKFKSA-N 426.517 1.953 30 10 IDEE Cc1cc(I)cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1144428871 DYTOYWVUYACSPD-JQIJEIRASA-N 425.226 1.856 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)C1=O 1155857865 IOXJECJBGZJSJO-FQEVSTJZSA-N 444.557 1.660 30 10 IDEE COc1ccc(N(CCC(=O)N[C@H](C#N)CO)S(=O)(=O)c2ccc(C)cc2C)cc1 1157962329 APDPCOSFRZZJTJ-QGZVFWFLSA-N 431.514 1.898 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSc2ccc(Br)cc2)CC1 1175515006 NKEPOZYCDYGBMT-UHFFFAOYSA-N 446.392 1.543 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)C(F)(F)F)c1 1208431798 YSJVTBJVNMITQK-UHFFFAOYSA-N 426.438 1.193 30 10 IDEE COC(=O)[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H]1c1ccc(Br)cc1 1212244633 CWAYVXGWYRXYBT-LSDHHAIUSA-N 430.324 1.728 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)[C@@H](C)COC 1214205929 QXYUBPGVSYYZEV-HOCLYGCPSA-N 445.563 1.207 30 10 IDEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1227632820 QHUXEMCMCQKXHO-SJORKVTESA-N 439.545 1.666 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1N1CCOCC1 1286383293 WOUNPIATHSBICH-OALUTQOASA-N 426.521 1.351 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1286388406 OSIOLDPGRPPACU-GOSISDBHSA-N 440.529 1.546 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1286395837 SNQACULEMSYEIL-ZGGTZUKQSA-N 438.594 1.423 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)C(=O)OC(C)(C)C 1292150187 HCUQKGDWDPUBRS-UHFFFAOYSA-N 425.489 1.718 30 10 IDEE CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1293612309 LZWBQVJBJATQEG-UNEBPCJRSA-N 437.504 1.406 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1296471535 FYQRAKXKDOPSTB-OAQYLSRUSA-N 432.525 1.011 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC#N)CC1 1299300639 GQPSEWCZVHJSFO-UHFFFAOYSA-N 446.533 1.396 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(OCCOC)CCOCC1 1300266795 BIUVSJFRHZBOTL-KRWDZBQOSA-N 442.520 1.596 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC2(CCC2)C1 1300363804 GNXRKGXWNHKBQQ-KRWDZBQOSA-N 437.566 1.174 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1300380944 KMEBOIXNLIHGMZ-HOCLYGCPSA-N 435.554 1.452 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1300457394 CQDPINPLUVKPIT-ZHRRBRCNSA-N 430.553 1.940 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccc(C)cc1 1300464447 FJSCMKZEJLKTHO-IEBWSBKVSA-N 431.562 1.793 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1300482687 GPFXQDWROITMGQ-DLBZAZTESA-N 430.530 1.868 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCS(=O)(=O)CC1 1300631983 ZJTVBUXXZIUCOR-GOSISDBHSA-N 446.529 1.190 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C(F)(F)C12CCC2 1300671147 CQQZMJVGITZKGD-CABCVRRESA-N 428.505 1.702 30 10 IDEE C=CC1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)CC1 1301119141 XJSXALQGABSNFE-UHFFFAOYSA-N 431.566 1.777 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COc2ccccc2O1 1301413703 ZYRHFNSBAOWRIF-KRWDZBQOSA-N 427.505 1.993 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1301483244 LNTZUDQCDQOYEW-CQSZACIVSA-N 434.447 1.550 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C2(O)CCOCC2)CC1 1303815812 AVNGMLZMQQUNSM-KRWDZBQOSA-N 449.573 1.578 30 10 IDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1309648789 BOYSBGXYXHBECP-JTQLQIEISA-N 437.255 1.130 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1315020561 HHNJKYJVIRWRKJ-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1316296674 BCOHNSRGWPQLFK-ACRUOGEOSA-N 440.548 1.841 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1321164115 VQSKFLSFGSQCEW-GOSISDBHSA-N 428.489 1.664 30 10 IDEE C=CC[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1322586396 TUPSQWPHNRKBJS-IUODEOHRSA-N 447.351 1.035 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1358897139 UFURQOCGKRYWHM-SFHVURJKSA-N 446.573 1.872 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358900694 QRDBTJPJYVDIOT-WCIQWLHISA-N 446.596 1.403 30 10 IDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1358936435 NASAQSRVIZDDSU-MBSDFSHPSA-N 444.580 1.133 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1358998571 JYWYRAFMGYIOQM-RTBURBONSA-N 447.605 1.695 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1359030839 HRSOAAPVUWALBP-ZJSXRUAMSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)c2ccccc2)CC1 1359036554 ZNMRFTQGZBSQIP-IBGZPJMESA-N 442.589 1.072 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)nc2OC)CC1 1359047439 HDKHMCYYNLKAFV-UHFFFAOYSA-N 442.520 1.241 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1359097509 PYBIZKFLDDCBME-RXVVDRJESA-N 440.548 1.925 30 10 IDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359155152 NICOIQGRSTUSER-CHWSQXEVSA-N 439.925 1.382 30 10 IDEE CC(C)CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1359888612 GQVJLJHBBLCARC-HRAATJIYSA-N 427.509 1.841 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOCC(F)F 1360240764 PEBIDBWXYWPDCA-HNNXBMFYSA-N 425.484 1.265 30 10 IDEE C[C@@]1(C[C@H]2CCCN2C(=O)COc2cccc(Br)c2C#N)NC(=O)NC1=O 1449338471 DWFGHHHFPFQVOD-ZMZPIMSZSA-N 435.278 1.679 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CCc2cccc(C#N)c2)c1 1462298421 AOZIKKQXVGXHKU-UHFFFAOYSA-N 430.530 1.452 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)c1 1462859215 JKXLVQPRAHFLCY-UHFFFAOYSA-N 441.509 1.585 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)NCC(=O)NCC#N)C1 1470093126 FNXBECAMUGECCK-IAGOWNOFSA-N 433.484 1.858 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(CCN3CCOCC3)CC3CC3)C2=O)cc1 1470444515 MEXOCCXXTLMDIU-FQEVSTJZSA-N 439.516 1.334 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)CC2=O)cc1Cl 1472218912 AGFDTFWJCYRNQK-HVETUWLQSA-N 431.920 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)C1 1475782471 CKBSWRZSVLKIEN-UHFFFAOYSA-N 442.488 1.762 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1479364830 LRIFTNGDXVUEDM-CQSZACIVSA-N 425.367 1.258 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N1CCOCC1 1507617060 QMAXMCMWHHKJAL-ZWKOTPCHSA-N 448.568 1.377 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507650654 PPXSBVLOOJNFHF-PZJWPPBQSA-N 434.544 1.913 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2ncc(C)s2)CC1 1507731456 JCQHTQFZGIQAPK-DOTOQJQBSA-N 448.618 1.504 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nccn2C(F)F)CC1 1507737955 DOPCDZKALFKGJD-OAHLLOKOSA-N 433.463 1.388 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1507738361 OBMLKMANZBNQLY-NRFANRHFSA-N 442.608 1.868 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1507752644 AMWWTXPHMPXPKE-QGZVFWFLSA-N 435.500 1.465 30 10 IDEE C#CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507758646 RIHFIWFOMIJDJY-XGHQBKJUSA-N 433.578 1.400 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507951173 BHSHYSBMDVAPLJ-IBGZPJMESA-N 440.552 1.873 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCS(C)(=O)=O 1508059857 ZSGGPWSEMZKHDQ-OAHLLOKOSA-N 443.570 1.643 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1508096645 IJZVLDGGGSRELN-IAGOWNOFSA-N 432.569 1.811 30 10 IDEE Cc1cccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511127689 FGBIUXCMWFWPDV-XOMICKMZSA-N 437.504 1.790 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1515283513 FHBOLVXAJDYGGS-UHFFFAOYSA-N 433.520 1.803 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1518760030 ZEGRLWZEUCKSIO-INIZCTEOSA-N 441.467 1.322 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1518765351 NLHYITACQNJGRZ-NZSAHSFTSA-N 442.495 1.961 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(=O)OC 1535347825 YRUUXVUZKLSMPH-ZDUSSCGKSA-N 433.324 1.937 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539332568 VWBXMVZSKSZJTJ-LJQANCHMSA-N 426.546 1.151 30 10 IDEE CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540310635 YHHKTWTVDSEAOC-NSHGMRRFSA-N 445.541 1.902 30 10 IDEE C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1540856788 PYBTTYBDFNETFN-KBMXLJTQSA-N 448.549 1.586 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCOC1 1540904616 OCEHSOUHBCICCC-CRAIPNDOSA-N 434.518 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)noc1C 1540907217 PCHUYTGEFULFLQ-UHFFFAOYSA-N 436.538 1.243 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1541990333 DVAVGYYUXLNEAO-FOIQADDNSA-N 436.582 1.473 30 10 IDEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(=O)NC)n1 1548369645 YZXQIMDARLKLJZ-QGZVFWFLSA-N 434.422 1.870 30 10 IDEE CCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NCCOC 1548371017 ABNPLRGNMUQCLK-INIZCTEOSA-N 427.427 1.560 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1555055010 BMGXPDYYGUVXRK-HOTGVXAUSA-N 431.518 1.650 30 10 IDEE CS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555807793 FDIAYLWOEUEIST-UHFFFAOYSA-N 430.534 1.590 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)c1 1557182477 BXBJEKDMJVZNDZ-GOSISDBHSA-N 445.516 1.380 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1557249218 IYTAUOMDZYDUPW-CYBMUJFWSA-N 446.451 1.328 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1559032724 GFPMRRCKAVRFTG-INIZCTEOSA-N 433.461 1.526 30 10 IDEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1562143375 ZNNYMBSVHHVHPH-OAHLLOKOSA-N 426.539 1.222 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1567388519 ZBRZTZJOHMHSCY-ZLOLFTAESA-N 438.525 1.622 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H](C3CC3)C3(CO)CCOCC3)C2=O)cc1 1570873132 CBMGFPHSZIIKSJ-AZUAARDMSA-N 440.500 1.447 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@](C)(O)C2CC2)c1 1587690020 WYCSMYBJZDGLID-QHCPKHFHSA-N 431.500 1.952 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1587898662 UDEMYEVLZLXCGN-BZSNNMDCSA-N 439.582 1.181 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCCN(C)C)c1 1588074932 UQLLGXCPCWMIMN-UHFFFAOYSA-N 434.544 1.576 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1588433609 QPHQJDVZWBDWMT-RUZDIDTESA-N 449.603 1.581 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCOCC2)CC1 1588865639 ZGUPADITXAJLRG-UHFFFAOYSA-N 425.533 1.462 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(S(=O)(=O)Nc3nnn(C)n3)cc2)cc1 1593795519 XKCINMVIKIHWJK-QXMHVHEDSA-N 426.458 1.697 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1NC(=O)CC1(C)C 1594896334 WNODKDSVAIJXPG-KRWDZBQOSA-N 446.577 1.732 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnn(CC)c1 1595537042 MEVHEDWVDKWUAZ-UHFFFAOYSA-N 447.503 1.749 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCCN(CC)C(=O)C1 1595569917 QXUREVLHKOGROC-UHFFFAOYSA-N 435.532 1.642 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)CC1 1595577087 IOTVHURMQYVGSX-UHFFFAOYSA-N 440.548 1.783 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)s1 1596232307 UXRSZIQIQDMTKG-OAHLLOKOSA-N 425.576 1.520 30 10 IDEE CCOC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1616288677 ANJQQCOWVCKPBP-YJBOKZPZSA-N 425.530 1.971 30 10 IDEE CCOCc1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616803928 ZYACQCOGWYBIBI-UAFUQJIBSA-N 443.552 1.406 30 10 IDEE COC(=O)c1ccc2c(n1)CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 1617180722 ZBAAIQZCFRZGQW-UHFFFAOYSA-N 428.470 1.259 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1619520943 RLIMDAMQTKQWDB-LVOTYXHCSA-N 437.504 1.728 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1620354913 MSMGDOIJBCCDFQ-GJZGRUSLSA-N 429.868 1.315 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)Br)CCN1C1CC1 1620355072 GHMMDLPTSWPDFS-DGCLKSJQSA-N 431.285 1.946 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1625856095 VGEOXGYWUKRJDE-HNNXBMFYSA-N 445.488 1.666 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2ccc(OCC#N)cc2)C1 1627858366 AAKIYEMDHQSMEM-IIBYNOLFSA-N 449.529 1.487 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)c1 1631137827 WUZSHCPLAWUEQE-UHFFFAOYSA-N 444.893 1.980 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1631208678 OGLWAWKRWKHYRI-USXIJHARSA-N 446.935 1.954 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2ccc(C#N)cc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1642565224 FWWJLQZIFQEECS-INIZCTEOSA-N 437.525 1.724 30 10 IDEE COC(=O)[C@H](Cc1ccccc1)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1643596268 HRHKNFJPDMGGRP-FCHUYYIVSA-N 438.503 1.908 30 10 IDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H](O)CC1(C#N)CCOCC1 1644876093 GZCREOMGJQQBBM-NRFANRHFSA-N 430.549 1.855 30 10 IDEE C#CCNC(=O)CN1CCN([C@H](C(=O)OCC)c2nc(Br)sc2C)CC1 1645867120 IHUUPOGTPCNLCQ-HNNXBMFYSA-N 443.367 1.185 30 10 IDEE C#CC1(O)CCN(C(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)CC1 1646157408 QCQRIRNZMIKDHM-AWEZNQCLSA-N 435.318 1.903 30 10 IDEE C[C@@]1(C2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1652066138 KSUPYTCXSQXHLL-VGSWGCGISA-N 439.472 1.500 30 10 IDEE C#Cc1ccc(NC(=O)CCN(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1654008763 TYMVYJNQVGLOOQ-UHFFFAOYSA-N 430.486 1.815 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C3SCCS3)c2)CC1 1665115338 DYMGGDQVVTZSPM-UHFFFAOYSA-N 426.589 1.782 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1665728374 WSIHQEWQFARZSZ-OAQYLSRUSA-N 449.573 1.383 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 1671494563 AJKVGQIORKELAF-BSDSXHPESA-N 433.553 1.688 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1681330828 FRGFKAUGNCHNQM-UHFFFAOYSA-N 442.541 1.639 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)c1ccco1 1689851170 NARHUBKZXOUFBF-QGZVFWFLSA-N 448.531 1.933 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1689853769 YERLTWFWAOJCSQ-NEPJUHHUSA-N 441.501 1.322 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689985856 CWHHBEZXGHBEFX-MSOLQXFVSA-N 430.578 1.697 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689987762 BTUPOTSPSCWIFR-QZTJIDSGSA-N 443.577 1.094 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1689994249 VCQOYFWMKHEAAG-FXAWDEMLSA-N 438.619 1.506 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1690034946 XADHPYIHQCBWNZ-UHFFFAOYSA-N 427.310 1.686 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C 1690043018 LVDXQPMZAVYIJD-KRWDZBQOSA-N 427.578 1.651 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@@H](C)C1 1690056569 XZRXOKGTEDZRLH-FKBYEOEOSA-N 443.592 1.966 30 10 IDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690502679 CGPNUQLFZIKXSP-UHFFFAOYSA-N 449.515 1.930 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)CC)C1 1690692474 YUXHFUHFPWRZFZ-MRXNPFEDSA-N 434.518 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1690715342 JDWYHRUNIAIGER-UHFFFAOYSA-N 431.562 1.895 30 10 IDEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690974073 HECKOCSITNSKJW-UHFFFAOYSA-N 432.532 1.993 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCC(=O)N(C)C 1696328049 CPEFIWONFGADPK-UHFFFAOYSA-N 425.537 1.881 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1696950030 BYPBVLBPZAAWJI-FQEVSTJZSA-N 449.559 1.953 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCC(=O)N(C)C)c1 1705506596 BZEIPOJHTIGKNB-GOSISDBHSA-N 438.532 1.707 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2Br)CC1 1705638742 VTOHDDPRQTUKAF-QGZVFWFLSA-N 443.349 1.795 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)CC1 1705638790 WZODLZPMFMNLQY-NRFANRHFSA-N 436.560 1.634 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(CC)C2)CC1 1705647214 AOXIWZUCGFWKTB-AZUAARDMSA-N 428.581 1.480 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1705879759 KOUOYQIBMPVCJL-OAHLLOKOSA-N 442.563 1.053 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@H](COC)C1 1705899562 XMOQLAIKRXGYJK-RDJZCZTQSA-N 443.504 1.259 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1705907235 FJQFFHZXPADCQW-UHFFFAOYSA-N 437.548 1.360 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705939250 BODDCFWMXLGSMQ-INIZCTEOSA-N 441.623 1.837 30 10 IDEE C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1708232999 LYAGUISEPFBTSX-MOYODAKZSA-N 427.509 1.019 30 10 IDEE CCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(=O)NC)C2)cs1 1709002721 ZWYZVOOOSXYDST-QGZVFWFLSA-N 437.529 1.835 30 10 IDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712368620 LVNLGETVHNMYTL-GOSISDBHSA-N 441.511 1.993 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722308339 KYSVSCCAYXBCGY-DOTOQJQBSA-N 433.582 1.939 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722341592 JGWSBCFQGVPTDY-IBGZPJMESA-N 436.516 1.749 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1722372225 RXEMNQFYHWNLRF-SFHVURJKSA-N 447.605 1.854 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1722432169 UUSXJGZHFIAQGS-UHFFFAOYSA-N 430.578 1.221 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1722441795 MOEJWWFWDTZYDO-QFIPXVFZSA-N 438.576 1.961 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722492319 AYCFTPZZYUWUHX-SZMVWBNQSA-N 445.568 1.438 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)CNC(=O)C2 1722536108 RFXINWMEKXBWNF-UHFFFAOYSA-N 427.553 1.839 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722698717 KVPDCKYXZJOWGF-SJORKVTESA-N 448.568 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCC1CCOCC1 1722728062 SYHVWSIMYGNRBP-MRXNPFEDSA-N 425.555 1.083 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1722738574 LQSVAAUQPGPRMY-LSDHHAIUSA-N 447.652 1.472 30 10 IDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1722774855 FPDOWWIRBUKNEM-UHFFFAOYSA-N 435.492 1.079 30 10 IDEE CCCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1728121358 NLQYKHNBBIJLEP-CVEARBPZSA-N 425.603 1.606 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccnc1OC 1729069586 GVMUPUPMKCGPSH-UHFFFAOYSA-N 434.504 1.860 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1729715533 HTOYSAUCZCWMTR-OAHLLOKOSA-N 449.519 1.528 30 10 IDEE CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1731038219 HKRLJAOUVCMTRH-CJNGLKHVSA-N 443.581 1.221 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1740601513 WNZMCKALEYMGRM-OAHLLOKOSA-N 427.534 1.407 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1740620528 WYTCRACHYOZYDU-HXUWFJFHSA-N 449.540 1.708 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740621279 KRQICTYEEKDUGE-SQNIBIBYSA-N 429.546 1.639 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)C2CC2)CC1 1740691410 BYQLNVCYXYHASO-UHFFFAOYSA-N 442.951 1.889 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CCN(C)C)CC2)CC1 1740694928 XSKARRHSBHYFHR-QFIPXVFZSA-N 443.640 1.549 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1740699806 UURBJCQGPFXZEE-UHFFFAOYSA-N 449.515 1.326 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740716669 WMWMSIAFAGTROD-AWEZNQCLSA-N 446.606 1.336 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740750621 DQNTXODAYSERIE-ILOCAZANSA-N 441.598 1.731 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2F)CC1 1740824695 ABLYSPRUXRXSFB-SFHVURJKSA-N 435.525 1.955 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(F)F 1740959567 ZZVBQDLBPHGRGE-UHFFFAOYSA-N 431.447 1.586 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740962788 OUXLZOZNOLMDNR-UHFFFAOYSA-N 440.529 1.788 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CC[C@H](C(F)F)N1CCOCC1 1741635704 ZEUNDTCKQCAFGS-HUUCEWRRSA-N 427.500 1.511 30 10 IDEE CC(C)Oc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1741735919 AWKQWDGHFDMYLG-SJORKVTESA-N 446.533 1.139 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOCC2(C)C)cs1 1742591359 GYYFLLBFLZSJGR-KRWDZBQOSA-N 431.566 1.473 30 10 IDEE C[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 1742975224 ASQKUEHRSCJFKE-ZTFGCOKTSA-N 430.534 1.700 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1748879995 IZFVXOGQBZVUKP-LJQANCHMSA-N 435.528 1.912 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1748912790 IOWDVZYTIHSCDC-HSZRJFAPSA-N 440.548 1.670 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748937111 BOBZXZKOOAEYNJ-SFHVURJKSA-N 431.562 1.907 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CC(OCC)C2)CC1 1748994191 CJNYICFQGQMLEF-UHFFFAOYSA-N 439.560 1.585 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1749199757 BZNMECKSYGPXJN-DUPUNLONSA-N 437.504 1.728 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1749502577 YFVYNQFNVWRXNV-UHFFFAOYSA-N 436.534 1.428 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1749666110 HNROWWBJKKLLTP-OAHLLOKOSA-N 428.541 1.847 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1(O)CC1 1751202378 CJKJXEHBQMIBBW-CQSZACIVSA-N 430.534 1.454 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)SC 1760116432 HEUZTNDJYCKGOQ-HOTGVXAUSA-N 443.639 1.991 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)C(C)C)c1 1760128784 SHQHLEXFNMLVFN-RBUKOAKNSA-N 438.532 1.956 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760153004 FIRBUXNZASVNLG-QGZVFWFLSA-N 437.504 1.184 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCC1 1760172884 CFUYFSVIHQUEHG-UHFFFAOYSA-N 436.559 1.385 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1760190245 ZFQQIDNIKKQWEV-VQTJNVASSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CCC1 1760207389 HGJCKCNLZSIRBL-LJAQVGFWSA-N 429.571 1.644 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC)cc1 1760208544 VLLWKWZWFQKKEN-UHFFFAOYSA-N 432.528 1.775 30 10 IDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760221661 GAOUFEWDVYOGRQ-UHFFFAOYSA-N 446.555 1.737 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCCCC1 1760250806 MPTJKPKCUQIETB-UHFFFAOYSA-N 427.553 1.628 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2c(C)noc2C)CC1 1760252631 SKZHSLMEBFILIZ-UHFFFAOYSA-N 434.504 1.528 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2=CCCCC2)CC1 1760266421 YDXCMRQMHOWIOK-MRXNPFEDSA-N 448.593 1.355 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760321805 KKQROQONOOZSFG-ZJOUEHCJSA-N 446.596 1.364 30 10 IDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(N)=O)CCOCC2)CC1 1760381693 WSSUGMKKWBYSQY-UHFFFAOYSA-N 425.493 1.364 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760448658 LOGLODFTXSMEQG-UHFFFAOYSA-N 425.493 1.827 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760562523 MRPJHRPQUVCQKD-UHFFFAOYSA-N 427.534 1.780 30 10 IDEE CC(C)NC(=O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1761262178 HIQGACJOQGAONS-AVRDEDQJSA-N 445.568 1.020 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCO[C@H](C)C2)n1 1762458672 ICNGUCKPSSVYFQ-UXHICEINSA-N 442.568 1.369 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1763125272 NMSPQLXREMLQLK-NFSBEEMKSA-N 432.550 1.988 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1765376053 BODMXESSGLYPCG-RTBURBONSA-N 435.532 1.980 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1768982917 ZGDGXEFDWOPTRJ-QBEKEKFNSA-N 437.504 1.406 30 10 IDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1769658151 FRCGOVIVLOCXTA-UHFFFAOYSA-N 437.504 1.764 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)C1CC1 1771355482 OVOSXMZNFAQTAJ-LJQANCHMSA-N 445.545 1.636 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CC=CCC2)C1 1771362349 YVYOFPNJKCFEDC-TXPKVOOTSA-N 438.529 1.409 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1 1772660315 ZTIXHBRWMKIUIQ-UHFFFAOYSA-N 443.529 1.807 30 10 IDEE C=CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1850876047 IYRLRIVYAWYHEV-UHFFFAOYSA-N 425.860 1.967 30 10 IDEE Cc1nn2c(C)c(C(=O)Nc3nc(Cl)cc(N4CCN(C)CC4)n3)cnc2c1C#N 1852036274 BXWUFQLXWJUDPH-UHFFFAOYSA-N 425.884 1.665 30 10 IDEE Cc1cccc(N2C[C@@H](C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)CC2=O)c1 1852746675 ILLVDIRMMJWTRG-FQEVSTJZSA-N 433.512 1.980 30 10 IDEE N#CCCN(Cc1cccnc1)C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1852753285 ARNRQROYAWXICE-OAHLLOKOSA-N 433.456 1.433 30 10 IDEE Cc1cnc(C(F)(F)F)c(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854419195 WWPTZTBPWKFCIY-UHFFFAOYSA-N 444.435 1.859 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(F)cc2Br)CCN1S(=O)(=O)CC#N 1854872398 IXCCPAQLQPFGDH-JTQLQIEISA-N 432.271 1.043 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CCC[C@@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1855028549 AGAPNEBTKVYCBO-VQIMIIECSA-N 425.595 1.995 30 10 IDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1855423283 BEYHTFBBXPVEHD-PKOBYXMFSA-N 437.606 1.996 30 10 IDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(C(=O)O)cc2)cc1OC 1862573155 VTGBGEHLWRPUGV-SFHVURJKSA-N 427.409 1.973 30 10 IDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873560631 GVDLPDLPACZSFI-UHFFFAOYSA-N 448.527 1.769 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc([N+](=O)[O-])c1 1874431466 SUXGPGWCTOTFFI-KEBDBYFISA-N 433.494 1.665 30 10 IDEE CN(C)CC#CC1CCN(C(=O)CN(C)c2nc3c(S(C)(=O)=O)cccc3s2)CC1 1890876937 BZAZUXDUSDGOIC-UHFFFAOYSA-N 448.614 1.940 30 10 IDEE C=CC1(N[C@]2(C(=O)O)COC[C@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1904334326 FDGKZJZNQMALGE-ZUOKHONESA-N 427.498 1.498 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010523929 PNWWCLSACDUTKP-SLFFLAALSA-N 428.533 1.983 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013639279 XLIHKKLNZKBXMH-CVEARBPZSA-N 437.537 1.876 30 10 IDEE CN(Cc1sccc1C#CCO)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2100769980 GTKWQQBQAZYURS-UHFFFAOYSA-N 432.523 1.540 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(C(=O)N=c3nc(B4OC(C)(C)C(C)(C)O4)[nH]s3)[C@@H]2C1 2248404021 HVQJYSSIIVKZLU-GHMZBOCLSA-N 436.343 1.311 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2255607518 ZYFIRMLKVYXHNZ-UHFFFAOYSA-N 435.334 1.196 30 10 IDEE CC1(C)OB(c2ccc(CS(=O)(=O)N(CC(N)=O)Cc3ccccc3)cc2)OC1(C)C 2255796516 RYOCCZNMYQBJRW-UHFFFAOYSA-N 444.362 1.803 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255861181 AGQHXEZDJYXKST-AAEUAGOBSA-N 429.248 1.986 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CCC2)n1 2267107462 OGPQLGCNADEJIJ-AWEZNQCLSA-N 449.361 1.538 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2267154015 UOJHMNCMWCWQHX-RCDICMHDSA-N 446.357 1.767 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267506171 TXLGBOLJRQDRNK-RCDICMHDSA-N 446.357 1.706 30 10 IDEE Cc1nc(NC(=O)c2nn[nH]c2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268608789 VBRMLJIDWQBYPX-UHFFFAOYSA-N 445.289 1.802 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268651348 ALJKQFZAEYNFAF-SFHVURJKSA-N 446.353 1.756 30 10 IDEE COC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)c(C)n2)CN(C(=O)OC(C)(C)C)C1 2268672452 SHCHINZAKNUSIN-UHFFFAOYSA-N 448.329 1.659 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2352399062 AWFGWSNAYUZYTO-UHFFFAOYSA-N 443.313 1.803 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)c1 57677855 GNUNSNAICZWOPA-UHFFFAOYSA-N 443.573 1.618 30 10 IDEE N#CCCN(C(=O)CCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccccc1 110940487 XPZIQMGTFOIKEY-LJQANCHMSA-N 426.517 1.811 30 10 IDEE COc1ccccc1N1CCN(CC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)C1=O 238812006 ANLHKLWQXWDLRH-INIZCTEOSA-N 436.472 1.669 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 409478243 LROAQVLOEITJAA-DOTOQJQBSA-N 432.905 1.447 30 10 IDEE CCCc1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 426079411 PJLMMIFKNFXYOO-UHFFFAOYSA-N 447.542 1.439 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@H]1CCCO1 447268371 VIJZDAPSWVMXGY-CYBMUJFWSA-N 435.958 1.585 30 10 IDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465124052 VNKUVPVQVPBEOD-HNNXBMFYSA-N 444.499 1.472 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n(C)n1 470199967 IKDZRYPQWNDRRD-RDJZCZTQSA-N 430.534 1.052 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccon2)c1=O 478853504 XRFQSGJPWMKPOY-UHFFFAOYSA-N 440.500 1.675 30 10 IDEE COc1ccc(C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 481783039 SIVBTZYYPWSRIW-CABCVRRESA-N 431.514 1.990 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CN3CCN(Cc4ccccc4)CC3)C2=O)cc1 489194108 HOPGTWLAGVQOPG-QHCPKHFHSA-N 431.540 1.593 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)o1 522899417 LZOKCXKNLZUNJQ-AWEZNQCLSA-N 434.499 1.555 30 10 IDEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc(F)c(C#N)c3)C2=O)c(OC)c1 553914995 BYISSLQSLGULGG-GOSISDBHSA-N 433.461 1.794 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccccc3)c2=O)n1 573864198 ICJUCYHFSMDMBQ-UHFFFAOYSA-N 448.548 1.637 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@H]1CCCO1 584754986 BHZCSXMDZVHMKE-MRXNPFEDSA-N 445.491 1.832 30 10 IDEE N#CC1(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCCC1 603887829 UIADSVCXOUERPC-UHFFFAOYSA-N 428.308 1.755 30 10 IDEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 614563462 ZTVLEQVNXGOJCR-OAHLLOKOSA-N 425.316 1.545 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sccc2Cl)c1=O 683735424 WDQLPDUPIYNUSV-UHFFFAOYSA-N 435.958 1.585 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 729331095 MSLMDYJRHYWLDK-LJQANCHMSA-N 446.550 1.774 30 10 IDEE C#CCN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@@H]1CCS(=O)(=O)C1 729335291 LDZKWIJAIKSRGS-LLVKDONJSA-N 448.238 1.462 30 10 IDEE COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 732153010 IURURFJVPGALRL-KCVCYVDRSA-N 442.472 1.555 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CC(C)(C)C 733055941 SEAXUPUCOSVDIC-AWEZNQCLSA-N 429.564 1.632 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccnn1Cc1cccs1 741341481 CHCUJRHTABKIEI-VHEBQXMUSA-N 429.458 1.391 30 10 IDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C#N 746775316 JDGDHXRUCDEHAW-UHFFFAOYSA-N 439.497 1.655 30 10 IDEE COc1ccc(CNC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1C#N 747433437 WRSNXTUEXNHXMJ-UHFFFAOYSA-N 439.491 1.963 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(-c3ccccc3C#N)c2=O)cn1 772305194 YCQPCMKVWJBPRJ-UHFFFAOYSA-N 444.520 1.487 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)n1 788369465 HNUNPBYWPOHLQK-DEOSSOPVSA-N 435.528 1.878 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n1 790105688 ABSLNBOIJCYGTR-UHFFFAOYSA-N 442.497 1.112 30 10 IDEE COCC[C@](C)(C#N)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 795620395 OAWAVMBDYALRAM-CQSZACIVSA-N 427.451 1.257 30 10 IDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)n1cnc(C#N)n1 798400377 CPMIXHJUUDGFNA-OWBBVQPASA-N 429.506 1.942 30 10 IDEE COc1cc(C#N)ccc1OCCOC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 805401547 HLLYSKSAEDZNET-UHFFFAOYSA-N 438.433 1.527 30 10 IDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 807229572 BQOMOYYVPZZUJR-VOTSOKGWSA-N 436.534 1.702 30 10 IDEE C/N=C(/NCCN1CCOCC1)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 849068001 HBKQUHJARXIHKG-UHFFFAOYSA-N 433.560 1.991 30 10 IDEE CC(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 915372617 NASNSCDJOUFZNF-JXFKEZNVSA-N 442.516 1.910 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 916178325 ROZJXJCILOBWOO-UHFFFAOYSA-N 435.527 1.849 30 10 IDEE CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc1 918175590 HTBZIHLTIWKPBX-UHFFFAOYSA-N 425.466 1.468 30 10 IDEE CCOc1cc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)ccc1O 1084453966 SQDJMUSAGZGILZ-UHFFFAOYSA-N 434.507 1.730 30 10 IDEE C=CCCn1cc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)nn1 1124607574 YATKDVMPMXYDLH-UHFFFAOYSA-N 435.506 1.526 30 10 IDEE Cc1c(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cnn1CCC#N 1133631454 WSUZHJRXLBMPNQ-OAHLLOKOSA-N 439.538 1.259 30 10 IDEE N#Cc1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)ccn1 1139860794 HYTICODCCPMXRD-INIZCTEOSA-N 434.543 1.870 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)nnc1-c1ccco1 1147370349 MMRKCPJGOCJWMJ-CQSZACIVSA-N 439.563 1.699 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)C2)c1 1149469420 VIYOKQHSHIRERR-UHFFFAOYSA-N 442.497 1.321 30 10 IDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1154888772 GTTPDCBHPFQMGF-LPHOPBHVSA-N 441.513 1.033 30 10 IDEE C#C[C@H](CO)NC(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1197861638 SVNCAOGJDIZUSD-QGZVFWFLSA-N 433.468 1.852 30 10 IDEE C=CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 1221491024 VDPDMVYPFCUIGF-SFHVURJKSA-N 437.562 1.757 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1230269143 URSTUPFAVLFILP-JSGCOSHPSA-N 433.452 1.711 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1286398686 ZYVWTDUQYLMQPC-MGPUTAFESA-N 433.534 1.079 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1286401932 WBEURMCEKFOMLS-DEOSSOPVSA-N 435.528 1.741 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286713913 HGHAVWGHFLSCHY-MOPGFXCFSA-N 432.569 1.150 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](COC)C1 1286792441 XZWMCKUJNRTXIR-GOSISDBHSA-N 429.521 1.628 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC)C1 1286809724 VBXCNRJMSDHAEQ-HNNXBMFYSA-N 437.504 1.109 30 10 IDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286828833 BLJDCCQPOJJACS-UHFFFAOYSA-N 432.575 1.818 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1288737938 WFBIDRCXVXUFOZ-APWZRJJASA-N 445.545 1.943 30 10 IDEE C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1291175070 ZWTQACKNLJTCAN-IWUFKXHHSA-N 441.536 1.409 30 10 IDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1295968173 AFQVCWONBGXWLJ-QFIPXVFZSA-N 449.519 1.351 30 10 IDEE CCOCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1297598625 QTYQKCIEDUGJPM-ZZEZOPTASA-N 431.541 1.086 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1300521110 SOCRSAYQGGYAAR-UHFFFAOYSA-N 435.406 1.714 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC 1300672273 XJUBOHDAMBAGHX-DLBZAZTESA-N 437.541 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1300726370 OBHCIRNSHYMQJA-AUSIDOKSSA-N 429.565 1.781 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@H]1C 1300762292 HXRDUOSLAFKTPT-BBWFWOEESA-N 441.623 1.602 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1300989922 HIYPWNGWLFFPNL-MSOLQXFVSA-N 439.582 1.440 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1300997747 YLZRZMYGRONPFZ-JOCHJYFZSA-N 443.552 1.479 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301000528 SNLHRFDGAFUOMO-INIZCTEOSA-N 444.561 1.673 30 10 IDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1)c1ccccc1 1301009101 GVMHAIQDNSLOOM-FQEVSTJZSA-N 445.589 1.662 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1301018924 CUXSWAPZGBDYDF-UHFFFAOYSA-N 438.941 1.274 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301223129 NFZMTGAPYAQCNK-KURKYZTESA-N 440.614 1.496 30 10 IDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1301260192 XYCQRUNTVVGZRE-FQEVSTJZSA-N 438.532 1.842 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1301373292 UUBFWVLLGXNAKA-HNNXBMFYSA-N 434.570 1.433 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccc2C#N)CC1 1301492090 XHNXAXDALXELJM-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncn(C)n2)C1 1301566534 QFBQHCCMYICCIZ-CQSZACIVSA-N 428.522 1.228 30 10 IDEE CC1=C(C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1304028515 BTXVSDGBZMZDLA-ZZEZOPTASA-N 439.520 1.587 30 10 IDEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1313384794 DOHPNVAFWLZPJV-RZQQEMMASA-N 440.566 1.746 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314638201 BKJKEDMDDDRNHW-SFHVURJKSA-N 438.536 1.244 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1316534402 ALSRSAKWSMYVCQ-SFHVURJKSA-N 444.561 1.891 30 10 IDEE CCc1cc[n+](/C(C(=S)NCCNS(C)(=O)=O)=C(/O)c2ccc(C#N)cc2)cc1 1323929589 UOMZBXOTGMNNAI-UHFFFAOYSA-O 431.563 1.758 30 10 IDEE COc1ccc(NC(=O)C2(C#N)CCSCC2)cc1S(=O)(=O)N1CCOCC1 1354078598 DMBIPDWMKUQBQU-UHFFFAOYSA-N 425.532 1.692 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)c1 1354749790 MOEYTCAFJURUGX-PBUBXTSYSA-N 446.451 1.753 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccc2c(c1)OCCO2 1358948451 CQRLQFIZXQRBPL-INIZCTEOSA-N 444.557 1.999 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1358959800 PZQQVJDFHVGSNS-FQEVSTJZSA-N 437.525 1.790 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1359018918 GMIUZUGUOMDIOP-AWEZNQCLSA-N 438.554 1.308 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)COCCO1 1359025458 PDSQPHDISDSOJK-KNQAVFIVSA-N 428.489 1.682 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)c2ccccc2)CC1 1359034512 UBYAHYJHKADVLX-UHFFFAOYSA-N 439.545 1.007 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@H]21 1359133189 MVTMZZXHCMTWRQ-KSZLIROESA-N 439.582 1.583 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCS(=O)(=O)CC1 1359235586 FZOXNAZINYLALG-UHFFFAOYSA-N 428.522 1.368 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1359297839 DLBVGIWCZSOOOI-UHFFFAOYSA-N 434.548 1.611 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1359301303 WHQRAIGWSWSDSU-MSOLQXFVSA-N 438.532 1.574 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359456283 URRUYMXUQDADNU-LJQANCHMSA-N 435.532 1.838 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1360469356 BETMJZOANDVGJW-IFXJQAMLSA-N 435.575 1.955 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCC2CCN(CC#N)CC2)cc1 1443996241 CLPDEPZBXBSRHI-PZJWPPBQSA-N 448.589 1.286 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1452513518 AUDJKXQDHVOGTG-HZMBPMFUSA-N 435.399 1.795 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)NC1CC1 1454257200 DNGSGUVZGJYZGB-UHFFFAOYSA-N 440.525 1.970 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1454975282 JHHWLKHZRIXIJQ-HRCADAONSA-N 425.526 1.780 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCc3c(CC#N)cccc3C2)C1=O 1460564836 DOCKOGLDVNEMMJ-DEOSSOPVSA-N 431.496 1.999 30 10 IDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1n[nH]c(C)c1C(=O)OC 1463518143 JBONWNRTBUKRCX-MRXNPFEDSA-N 435.502 1.856 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1470268439 ZGCANKZUDHXMJA-FOIQADDNSA-N 445.944 1.499 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@@H]1Cc3ccc(C#N)cc3C1)CCS2(=O)=O 1471145090 QMJHKUYOSFVLPG-UISNHOIMSA-N 431.514 1.224 30 10 IDEE CCOC(=O)c1c(NC(=O)NCCN2CCC(N(C)C)CC2)c(C#N)cn1CCOC 1476378395 DLGHEBVEVRQCLW-UHFFFAOYSA-N 434.541 1.330 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1495702144 QUUCUMXYXRJNGI-OHTQGHCMSA-N 431.497 1.206 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CCO1 1503770274 DSSIQSBJVRTMHK-VGOFRKELSA-N 436.472 1.269 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1504974866 PIOHJTIVVZQLRG-DYESRHJHSA-N 434.541 1.381 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1507534081 QYQVBNNRTXQRQA-AWEZNQCLSA-N 432.488 1.838 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccc1F 1507616301 IHQUHMNQPXHMRE-SFHVURJKSA-N 449.552 1.797 30 10 IDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCC(OCC(N)=O)CC1 1507787736 HBMZHAMSIBFGTA-UHFFFAOYSA-N 435.326 1.643 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1508085303 SUWPTOCXWIHADH-UHFFFAOYSA-N 425.537 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1508136533 SPQMWLHKSCTQJO-QGZVFWFLSA-N 445.611 1.018 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1516005456 FSGQQFHJVUXMQS-UHFFFAOYSA-N 438.536 1.537 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1519447291 CVMBNMFWVDUPMF-HCXYKTFWSA-N 435.525 1.174 30 10 IDEE N#Cc1cccc(C2(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CCOCC2)c1 1529257836 AOFWBCMBKOPNJA-UHFFFAOYSA-N 444.491 1.752 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1538975730 CQXJZXJEEOLJLL-VGOFRKELSA-N 446.573 1.981 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(c2ccccc2F)C1 1539147531 BEKYYSMXDIIRON-HZPDHXFCSA-N 434.541 1.623 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCOC[C@H]1OC 1539153718 JDCOUWJKMFVPJS-IAGOWNOFSA-N 446.577 1.668 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(COC)CCOCC1 1539360090 YRMBFKFEVTXOSM-UHFFFAOYSA-N 436.520 1.824 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccn(Cc2ccccc2)n1 1539391870 JGGHQMWATUXWMY-UHFFFAOYSA-N 447.543 1.893 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539432301 ZTOYQXBURNDLQU-QGZVFWFLSA-N 428.503 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](COC)OC)CC1 1539473804 BODRLJSMSCDVKX-QGZVFWFLSA-N 446.939 1.621 30 10 IDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1539709524 ADKPDFVUIRJOJK-LJQANCHMSA-N 448.593 1.717 30 10 IDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539722638 IAUNOZAQNBEFNA-IAGOWNOFSA-N 425.555 1.337 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540869142 CVRDKCZPIUJZBE-CABCVRRESA-N 447.540 1.025 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1540873577 COBSVVCEGHKWPI-RTBURBONSA-N 429.613 1.528 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1541035417 XUPYOMJSDAGQAE-DPPKGPFUSA-N 441.536 1.567 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(C2COC2)nn1 1541513548 WSAVJMPXDHHNHF-KRWDZBQOSA-N 427.513 1.206 30 10 IDEE CC(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1541760883 DXCCQTLODYTLSU-SFHVURJKSA-N 441.511 1.992 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(N)=O)c1 1541806297 IADIOSBDKJUPQU-HNNXBMFYSA-N 425.493 1.051 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)CCCO2 1541928211 XWGODWCLHSUWRP-VLIAUNLRSA-N 448.524 1.704 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)s1 1543267531 FBZBFHRBMPLFRA-HNNXBMFYSA-N 437.518 1.816 30 10 IDEE CN(C)CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1545240424 VPEDBMDPKSMGQO-SFHVURJKSA-N 441.594 1.214 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 1545840181 WOBPRBKYKAOETK-FUHWJXTLSA-N 448.545 1.672 30 10 IDEE CCOC1CC(Cn2c([C@@H](C)CC)nnc2N2CCO[C@H](C#N)C2)(N2CCOCC2)C1 1548017183 FDDCVJNSSYFYCM-NHFHJCFSSA-N 432.569 1.790 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1548321653 BJQMWWQLZRVSDC-UHFFFAOYSA-N 445.545 1.946 30 10 IDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554151936 PYBRSTGCMXCXJT-QOCHGBHMSA-N 449.515 1.807 30 10 IDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1558714234 JLZOREUBBUWGGH-HLLBOEOZSA-N 435.546 1.988 30 10 IDEE C[C@@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561555147 ASOOEFLRFLCJJD-YPMHNXCESA-N 432.315 1.944 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1 1585365497 FCRSLBOFYGDNPD-INIZCTEOSA-N 438.347 1.935 30 10 IDEE CCN1C(=O)c2ccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)cc2S1(=O)=O 1585444353 ALKVGGPDENCBJY-SFHVURJKSA-N 425.466 1.936 30 10 IDEE C#C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)C1CCOCC1 1586731074 ZSPZYUOZRFTPHN-UZLBHIALSA-N 448.317 1.761 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1588387603 VPJDRUDXAWGRQJ-MRXNPFEDSA-N 439.582 1.897 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)SC)CC1 1588962123 VHQWHQPOOKRFCF-UHFFFAOYSA-N 432.594 1.508 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1589060226 PADKUYWROMZJLB-DYESRHJHSA-N 429.521 1.833 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1 1595550575 FWUVCYKAPSDZQW-INIZCTEOSA-N 447.565 1.032 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C1CCC1 1595758842 CJPNPMGMABCIFE-GOEBONIOSA-N 445.611 1.258 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C(C)C 1595759111 DBCDNFMBNQEFSA-LSDHHAIUSA-N 433.600 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1595789161 OFNFFXXRNWZXDY-UHFFFAOYSA-N 446.577 1.696 30 10 IDEE C[C@H](CC(=O)N[C@H](c1nccn1C)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1608096493 LXLXWLTWWYQRCW-QMTHXVAHSA-N 429.424 1.657 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1609506631 DSTWPGLVEVFOCL-INIZCTEOSA-N 446.533 1.009 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 1611788403 DRAMSHJSLFCGQT-CHWSQXEVSA-N 427.458 1.082 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1619982822 ICOVWMPRCKNTEQ-CVEARBPZSA-N 425.555 1.567 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1620166807 KACZMGWGVCOTAV-INIZCTEOSA-N 439.925 1.388 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3c(C)nn(CCCC)c3C)[nH]n2)CC1 1634876619 XCSSSBNPFFRSBP-UHFFFAOYSA-N 425.537 1.197 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1637388987 AFBAPMUOGHRKGU-NXOAAHMSSA-N 436.509 1.249 30 10 IDEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1639667219 DFENSSRTNUQHEF-LBPRGKRZSA-N 434.905 1.808 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1640683073 PMHMOPPNSRBOEP-INIZCTEOSA-N 432.424 1.019 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCS(C)(=O)=O 1643217638 RKNQDULAWDGOET-HNNXBMFYSA-N 429.564 1.081 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 1644281546 FUVUSTBRIVNUSA-UHFFFAOYSA-N 439.534 1.108 30 10 IDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 1645981660 INWOHGBYRKJDQV-HKUYNNGSSA-N 449.467 1.274 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1646091162 SUHVFWPCVDQNQB-QGZVFWFLSA-N 444.532 1.816 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(n3c(O)nc4cccnc43)CC2)CC1 1648327356 FJLQYYABWZCRKU-LJQANCHMSA-N 425.537 1.466 30 10 IDEE C[C@H](NC(=O)[C@H](C)N1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(S(N)(=O)=O)cc1 1654466026 LEIAEMULAKPASV-HOIFWPIMSA-N 441.557 1.852 30 10 IDEE C#CC[C@@H]1CCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1679492170 LWQBSBUXIATYLA-MRXNPFEDSA-N 435.546 1.912 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1682238823 ALQVYBKJPFZOFW-UHFFFAOYSA-N 427.530 1.840 30 10 IDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1CCCC1 1683688296 AGAZIWYOLZDWSB-UXHICEINSA-N 449.577 1.596 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1689861599 XQCZRXZZRLDUKP-SJORKVTESA-N 437.552 1.359 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689991288 ZJEBCNBIOSDPLQ-XUVXKRRUSA-N 449.621 1.529 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1690206561 UYEXZJJMXUDLHP-LAUBAEHRSA-N 429.546 1.664 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1690464443 BRTKMPHGCYAJEV-XLIONFOSSA-N 441.598 1.973 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)N(C)CC)C1 1690692101 RCNURNNVTAQQGQ-GOSISDBHSA-N 437.508 1.180 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1690718056 ZNPFNPXLKLJZQW-UHFFFAOYSA-N 437.529 1.886 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(C)(=O)=O)CCOC1 1692579035 FUENKUJHOZMKFF-RBUKOAKNSA-N 425.555 1.493 30 10 IDEE CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1695631769 CEZQFBIWYKLLPD-QZQOTICOSA-N 434.504 1.889 30 10 IDEE CNC(=O)c1cccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1696933725 BZFOXBCGVGPXSL-JOCHJYFZSA-N 439.495 1.445 30 10 IDEE COCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cs1 1697829367 HCECLLOJUHZBNY-RYUDHWBXSA-N 427.556 1.135 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1698172541 WXBODUJOGOUIJQ-MSOLQXFVSA-N 434.541 1.524 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(-c4cnccn4)n3CCCCCCO)CC2)nc1 1698488114 KCGQHLPGUUBXKQ-UHFFFAOYSA-N 433.520 1.881 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1705495777 VHRJZAWEXUUBAV-VQIMIIECSA-N 447.561 1.264 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705531652 RFZZHAZCTOFTDL-HNNXBMFYSA-N 440.529 1.229 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1705668242 HJBAQEGFGOODAH-GQIGUUNPSA-N 431.566 1.340 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@H]1C 1705877614 BOSULOAIUCJAJI-HTAPYJJXSA-N 429.521 1.882 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1706760095 XXLBRXTVQWNJFQ-FUHWJXTLSA-N 448.531 1.888 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1708241505 OLIIDTICDUYISF-UWXDHFKOSA-N 432.550 1.986 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1710839450 NUBLHXXLJZKTQP-NRFANRHFSA-N 440.548 1.781 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1710874363 DAGFETNAKKXOSL-INIZCTEOSA-N 430.534 1.343 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1711885019 IXULHXPPGWPRKS-UWJYYQICSA-N 426.477 1.073 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722366887 SPJRNCHPPPXHQE-OAQYLSRUSA-N 441.601 1.900 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@H]1C 1722417863 WVQAILLWSDIMIB-AOMKIAJQSA-N 429.496 1.735 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1722568105 AQRPWERNVODEAP-UHFFFAOYSA-N 430.534 1.777 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1722631406 MKHVMCJZDATMBQ-UHFFFAOYSA-N 435.488 1.986 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)CC1 1722697036 DRYFJSNTIUMILN-UHFFFAOYSA-N 425.518 1.002 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722697915 QZFARZYUXLYGSB-UHFFFAOYSA-N 429.525 1.500 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722701577 VTXPTBGDVLKHJL-UHFFFAOYSA-N 440.596 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(F)F)CC1 1722725281 ICNZUSYWUWEVCT-UHFFFAOYSA-N 428.509 1.272 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1723882932 GOPIQICNCFHCFW-AWEZNQCLSA-N 430.534 1.212 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCOC)c2ccccc2c1=O 1728643685 QEFDOLMTXYISOL-INIZCTEOSA-N 437.504 1.830 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1S(=O)(=O)N(C)C 1740556974 GWMZSJPXOCRMFI-MRXNPFEDSA-N 444.561 1.157 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1740621335 LUIXCBZHGPGKIC-YTQUADARSA-N 446.577 1.366 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740626569 BYIVCGYCOGOQKJ-CEXWTWQISA-N 437.610 1.562 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740652534 CUDWVBHEMMOKSF-QFIPXVFZSA-N 437.525 1.439 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1740656738 MHBYZHOTDDAFGJ-BZSNNMDCSA-N 437.541 1.212 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)[C@H](C)CCC)CC1 1740706325 VULKHTHXDUIHBC-IEBWSBKVSA-N 444.580 1.300 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740796075 NEULORJWSNBROM-HNNXBMFYSA-N 445.549 1.076 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740944117 UOAODRTXCAJPCE-DOTOQJQBSA-N 430.534 1.096 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@H](C2CCC2)C1 1740951763 NCIBYZNYPXPCOG-QGZVFWFLSA-N 439.520 1.481 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)CCS(C)(=O)=O 1740969178 LCQMRYVEFKKHKZ-UHFFFAOYSA-N 428.518 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(F)(F)C1 1740986256 UOGAQUKFQAMXRJ-UHFFFAOYSA-N 426.449 1.372 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740991411 VZMMWIMIDXDQQJ-UHFFFAOYSA-N 435.554 1.160 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1740995326 IDXVBKWDOSIZJI-QFBILLFUSA-N 444.623 1.861 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742699399 XHKVHEYSEIRWHE-QZQOTICOSA-N 438.536 1.902 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC(C)(C)O1 1743244229 HCUWHULNDMXRHC-YOEHRIQHSA-N 437.504 1.809 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743757486 QOSGHACQXGGQJX-JSJMYKNQSA-N 438.536 1.495 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CCC1 1748664752 JEBJWDFMZJAODG-FOGNVHKLSA-N 448.618 1.997 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1748730320 JKPNRIGAIFTFNE-HXUWFJFHSA-N 427.597 1.532 30 10 IDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1748789650 NYQXTEALWXMXBU-CRAIPNDOSA-N 431.518 1.284 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1748859043 BFRNTHHDJOBSLZ-QGZVFWFLSA-N 430.505 1.894 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1748923052 RLULHOLMEDLZLU-APWZRJJASA-N 436.516 1.703 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCC)CC2)CC1 1749015961 UNMMYIVYQZFXPN-UHFFFAOYSA-N 426.565 1.947 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749456965 CDTWYEVQOYKLDQ-SQGPQFPESA-N 440.566 1.157 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749457432 RJGYGFXUMBSUDT-LJQANCHMSA-N 442.568 1.268 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1749519745 RIHNPZPDBVYEMS-GJZGRUSLSA-N 428.580 1.160 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1749668890 FZVBRKFNZKBMFU-BZUAXINKSA-N 434.541 1.434 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1749685464 GGHMEMLLVUKNBW-KRWDZBQOSA-N 438.532 1.681 30 10 IDEE CC(C)CN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1750835764 MGFJYMUZHYHVPM-CZIZESTLSA-N 429.525 1.233 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCOCCCO)CC2)c1C#N 1751827722 JQUUJHRPNQULII-UHFFFAOYSA-N 430.557 1.116 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1760440047 AUZPAQRBFWNNAK-MRXNPFEDSA-N 436.607 1.925 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760451104 ZWSGBFNUAJCENZ-PMACEKPBSA-N 446.596 1.855 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCN1CCOCC1 1760454889 UICRSNYMWFPOSJ-UHFFFAOYSA-N 447.609 1.891 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCS(=O)(=O)CC1 1760729215 HYTLHWLBEHZDCK-UHFFFAOYSA-N 444.561 1.935 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1760832818 GUNJQCHWCIJTEK-HXUWFJFHSA-N 438.532 1.927 30 10 IDEE Cc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762629769 HDIDWHSRKSYEHJ-PXBNPBHZSA-N 426.452 1.830 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1766864840 HPLLEHUBYXAHOV-UHFFFAOYSA-N 433.520 1.355 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1770010934 CCKOZJWANMMZRH-QZFCYZPVSA-N 444.536 1.907 30 10 IDEE Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCCc3nc(C#N)cc(Br)c31)CC2 1850770532 NJUQFSWJBXOKGI-LLVKDONJSA-N 428.290 1.894 30 10 IDEE Cn1cc(C#CCNC(=O)CN2N=C(c3nc(-c4cccc(F)c4)no3)CCC2=O)cn1 1850796909 MSARJUXIJNMPJS-UHFFFAOYSA-N 435.419 1.104 30 10 IDEE N#Cc1cnc(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 1851410613 JAOCVJYCKFXEMO-UHFFFAOYSA-N 434.905 1.770 30 10 IDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@@H](C(F)(F)F)C3)ccc21 1854313931 PTJOFKJFHXSLKE-CQSZACIVSA-N 431.392 1.358 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2COc3ccccc32)CCN1S(=O)(=O)c1ccccc1C#N 1855717755 DMXZZHLGRPEVJI-RHSMWYFYSA-N 425.466 1.482 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@H]2COc3ccccc32)CCN1S(=O)(=O)c1ccccc1C#N 1855717757 DMXZZHLGRPEVJI-YOEHRIQHSA-N 425.466 1.482 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 1858334840 JWUGEVOZIMWGMS-SFHVURJKSA-N 431.539 1.788 30 10 IDEE Cn1cc(C(=O)Nc2ccc(C(=O)NCC(=O)Nc3ccc(C#N)cc3)cc2)ccc1=O 1860832323 KGHAGAHHDFALON-UHFFFAOYSA-N 429.436 1.878 30 10 IDEE O=C([C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(O)CC1 1869929513 IOVPKFOGKBUPGZ-GOSISDBHSA-N 431.489 1.459 30 10 IDEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562510 HEHAIVBMNONKQK-UHFFFAOYSA-N 433.516 1.811 30 10 IDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCN(CC)CC)ncnc21 1875228821 GGUONOVOPVKFEU-UHFFFAOYSA-N 429.569 1.121 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)C[C@H]3COc4ccccc4O3)CC2)CC1 1889464292 ANTUPCCQTWIOPB-QFIPXVFZSA-N 441.572 1.865 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1963877291 ONSXMZPHEHIYID-LSDHHAIUSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1985856748 HRBSBGJVTVFFRL-HUUCEWRRSA-N 428.530 1.965 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085661049 OLLLIEHHSCBXKP-OAHLLOKOSA-N 433.314 1.955 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)B1OC(C)(C)C(C)(C)O1 2247962556 PHJWEGRTFQRAAE-LSDHHAIUSA-N 446.375 1.464 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255822794 PRNSYWDCJAZEJX-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE CCc1nn(C)c(C(=O)NCCNOCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255823079 RSIPFQGEMPMCGH-UHFFFAOYSA-N 428.342 1.733 30 10 IDEE Cc1c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267142824 ZOQCUFGKEIVECA-JLCFBVMHSA-N 446.357 1.767 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 2267176963 HOBOWBQDHOYMDL-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)OC(C)(C)C 2267261306 SZLRNKIRSXVDHQ-PBWFPOADSA-N 447.345 1.100 30 10 IDEE CN1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)C(F)(F)F)C1 2267482943 KZMAJBRUALQFDZ-GFCCVEGCSA-N 445.247 1.014 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268631731 BVRUIIOQXMINTG-QAPCUYQASA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268717660 TYHCEQYMFJJEEB-KRWDZBQOSA-N 448.369 1.778 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2315614233 RCQPILQATJSMEE-BFHYXJOUSA-N 432.330 1.457 30 10 IDEE CCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1OC 2330743729 GGPVCUHRRGGESL-UHFFFAOYSA-N 434.522 1.561 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334261376 OIIIXFKLGIEMKI-DGCWBMGLSA-N 448.329 1.263 30 10 IDEE N#C[C@@]12CN(S(=O)(=O)CCCCCCN3C(=O)c4ccccc4C3=O)C[C@@H]1CCO2 2364300513 OEGYDTKAPZNABO-HRAATJIYSA-N 431.514 1.787 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 102742889 FQDJFNPQSFSDEN-GOBJLOIFSA-N 442.491 1.930 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1 195723572 KTCXVTYPPXZSBI-UHFFFAOYSA-N 437.472 1.409 30 10 IDEE N#CCC(=O)NCC1CCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 219543274 JYCQMRAYZQJQAN-UHFFFAOYSA-N 441.444 1.239 30 10 IDEE C/C(Cl)=C/Cn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 254605470 DEMNSCLTSPKAQX-KZUWMJRESA-N 431.840 1.931 30 10 IDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CCN1CCO 427401226 VAIWSNIVXHGWAH-INIZCTEOSA-N 440.475 1.740 30 10 IDEE Cc1cc(S(N)(=O)=O)cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1C 443562123 CMKJOJYQQFIQEQ-GOSISDBHSA-N 444.538 1.976 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)s1 478742808 DZXXHCQHRYPOBC-HOTGVXAUSA-N 444.578 1.958 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)cc1C#N 489489617 VRWOELXBESGAOR-UHFFFAOYSA-N 429.546 1.713 30 10 IDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508463295 FXMYPJIEIAQVAO-UHFFFAOYSA-N 430.940 1.765 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 511367699 SHVTYXLEGDIXJQ-GFCCVEGCSA-N 425.454 1.669 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)CC1 514223175 VEBVKTZOVKYUAT-GOSISDBHSA-N 439.472 1.135 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)c(C)c1 514523450 CGQRCJVLNKVERV-LJQANCHMSA-N 439.581 1.981 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc([S@@](=O)CC(=O)NCc2cccc(C#N)c2)nc1 521707567 CTWGFEOQSNBXHB-NDEPHWFRSA-N 434.543 1.408 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)CC(=O)Nc1ccc(Br)cn1 562029994 VVQRMVNNCHKZGV-ZDUSSCGKSA-N 437.298 1.784 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](CNS(=O)(=O)C4CC4)C3)CC2)nc1 588331623 IBROMAPYBXQQDZ-KRWDZBQOSA-N 446.577 1.425 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1=O 674477473 COOCCUULNGTKPT-OSPHWJPCSA-N 445.479 1.257 30 10 IDEE C[C@H](c1ccccc1)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727010151 OPTLWLUESNGQJY-GOSISDBHSA-N 434.496 1.737 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727415644 XFFUKAAXQSLSOZ-UHFFFAOYSA-N 445.447 1.426 30 10 IDEE C[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 732651497 BKEUHSNEBJFMDT-SMDDNHRTSA-N 431.290 1.632 30 10 IDEE Cn1cccc(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1=O 733502811 CPVKKWNVAKNTQT-HNNXBMFYSA-N 438.484 1.912 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 739001592 DKYDGEHLQGAJDA-HNENSFHCSA-N 431.880 1.220 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(S(=O)(=O)CCOC(C)C)CC1 747468325 CKGIGWWGNUFFSM-UHFFFAOYSA-N 432.550 1.455 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CCN(c2ccccc2C#N)CC1 749530976 QMVHKCJPIBNGIY-OAHLLOKOSA-N 444.561 1.361 30 10 IDEE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CCO 757470363 GZDJQNSEVNSZLN-OAQYLSRUSA-N 436.464 1.870 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758076994 KELRSDVOJKLHAT-UHFFFAOYSA-N 437.484 1.510 30 10 IDEE COc1ccc(CNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 767682399 VUVZXNUZVYWCDI-AWEZNQCLSA-N 431.470 1.093 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@@H]1CCCO1 767952794 MOYLCRTYCNFGOK-KRWDZBQOSA-N 429.542 1.718 30 10 IDEE N#Cc1ccc(C2(C(=O)NS(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 781530349 BQPJQONIHNKJDT-UHFFFAOYSA-N 437.477 1.722 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1C#N 788338118 GYARJVBHALLIFE-UHFFFAOYSA-N 435.532 1.878 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)n1 789044608 JYRUSRQXKCPFCR-YPAWHYETSA-N 435.528 1.831 30 10 IDEE COc1cc2c(cc1F)CCC2=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 799110331 WBDRHOIZULWVIC-UHFFFAOYSA-N 433.509 1.928 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ncc3n2CCCC3)C1 800104089 UCMHTZZCOKJLHB-OAHLLOKOSA-N 427.530 1.664 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)n1 806461115 PEDTYQKPYRROBX-MRXNPFEDSA-N 429.502 1.883 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)c(C(F)F)n1 812274000 QMWQSELIJVXJHJ-CQSZACIVSA-N 448.495 1.632 30 10 IDEE C[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 855708464 HIMNOKCMIPGSAV-LLVKDONJSA-N 430.486 1.843 30 10 IDEE CC(=O)N[C@H](CC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccccc1 915363852 KCMMSVOCANQOLN-GOSISDBHSA-N 439.472 1.314 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(I)cc1 917925396 FAHNBYJJKBCRIR-GFCCVEGCSA-N 439.296 1.102 30 10 IDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cn1 1083852026 QNBRNLUFDBVAGL-UHFFFAOYSA-N 431.501 1.763 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CSCc3ccc(Br)cc32)C1=O 1130865045 IDDUBBOQYYUPKU-ZDUSSCGKSA-N 438.303 1.830 30 10 IDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NC[C@]23COCCN2C(=O)COC3)cc1 1132364990 RUEPNJCDPCUTJE-JOCHJYFZSA-N 425.416 1.847 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1 1141055731 INMLOENMPCCAPU-HNNXBMFYSA-N 427.523 1.109 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1178757813 VQKAXBPVTVZUHA-MZKRTTBSSA-N 437.521 1.424 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)C2=O)cc1 1227632086 LDWRZOYVPQCPLJ-RBUKOAKNSA-N 430.530 1.268 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN([C@@H](C(=O)OC)c3cccc(Cl)c3)CC2)nn1 1252076986 OWEMMESXISROLW-GOSISDBHSA-N 432.912 1.859 30 10 IDEE C=CCCC1(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CCCC1 1252984058 NHODSEVAGDCXQW-UHFFFAOYSA-N 427.615 1.332 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N[C@H](CO)c2ccccc2I)C1 1255363662 MREWEAWNNIFHDT-CZUORRHYSA-N 427.286 1.721 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)nc3)c2C#N)C1 1280417402 ICTGAHBPPHYQRY-UHFFFAOYSA-N 433.515 1.422 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1286394226 OBEYKIRRWCUIRT-HZPDHXFCSA-N 449.508 1.022 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286415018 GEYKSPFSKSEHFG-UHFFFAOYSA-N 440.548 1.873 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1 1286415606 PQNRCKLEDPHHFT-NRFANRHFSA-N 439.608 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC2(O)CCOCC2)CC1 1286492523 HTOSKAKMUKKVNM-LJQANCHMSA-N 445.564 1.417 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC1CCOCC1 1286516456 GTVUPMKFDKZWDB-OXQOHEQNSA-N 439.582 1.466 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286692780 IMVNIZPGRBOMGG-IKGGRYGDSA-N 426.587 1.011 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286789497 FBLFELHUVRBSBV-GOSISDBHSA-N 438.532 1.587 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286822610 LONHTLKHLWHLHH-QGZVFWFLSA-N 437.610 1.963 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1286831221 BKQBLKLWBIOIOF-INIZCTEOSA-N 442.607 1.485 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC[C@H](C(F)F)N1CCOCC1 1286959499 GZKXZOJYZSMCKG-HUUCEWRRSA-N 427.500 1.368 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1288335513 IDZOILWYLVDQTI-UHFFFAOYSA-N 437.548 1.483 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1288991212 QJCASBOXWJLUFE-XKONBMNXSA-N 435.488 1.173 30 10 IDEE Cc1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1290867008 HOQVBTSLOPRKBX-IRXDYDNUSA-N 425.537 1.726 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC4(CCOCC4)CC3)C2=O)cc1 1296765802 UAPLNOIEZPWYAY-GOSISDBHSA-N 426.473 1.561 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1300512970 PAWKVEBEHPVXPF-NZQKXSOJSA-N 428.581 1.029 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1300556632 KLUQOJREJBNJCS-SFHVURJKSA-N 428.562 1.687 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300765937 NXQCPZFIZQPBNM-QGZVFWFLSA-N 428.537 1.930 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300991760 KLFDWPBAJLHWHW-SOLBZPMBSA-N 426.525 1.789 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CCO1 1301357957 AVJGRLOGWQKEGS-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1301362545 FUMHYSSWTRAGOC-HOCLYGCPSA-N 435.575 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CCOC2)C1 1301483938 YOLNDNKNLGHFIN-IBGZPJMESA-N 449.353 1.965 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1301499243 AMTLRHBIGHAXDP-LJQANCHMSA-N 426.521 1.854 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1301499691 DQNPBGMPWGMQJY-UHFFFAOYSA-N 435.536 1.494 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301503163 UWMAOOOBWUGZFE-QUCCMNQESA-N 445.612 1.158 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)C1 1301556206 GIISKNHFTRFNEZ-QZTJIDSGSA-N 445.545 1.109 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301587064 XGPLRIMFXJZVSJ-SFHVURJKSA-N 434.566 1.638 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1303361468 BLFZIBIHHYKJPO-IBGZPJMESA-N 431.585 1.903 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)NCCC1=CCCCC1 1304000088 CYSWYKRKCBQQRP-INIZCTEOSA-N 432.546 1.690 30 10 IDEE CC1=C(C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1304028513 BTXVSDGBZMZDLA-CZIZESTLSA-N 439.520 1.587 30 10 IDEE Cc1cc(C)n(CCCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1304773557 RXQYITHBZMYUHA-KNQAVFIVSA-N 443.552 1.951 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CSCCS1 1306192351 ATOQMGNZPGAHKY-OAHLLOKOSA-N 432.623 1.929 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1306284938 YOBAKOKPTYQECL-DXNFXHBHSA-N 429.525 1.568 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1307818410 FWIPSYUTYWHCHU-DOTOQJQBSA-N 431.541 1.891 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1313502681 CQJFIKFGYKVBFP-SJORKVTESA-N 440.504 1.750 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1314740910 FYPHZTNZLSAMQE-IBGZPJMESA-N 439.545 1.975 30 10 IDEE COC[C@@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315822698 RRHBAXFRCSVPNO-IBGZPJMESA-N 436.495 1.842 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316335629 DVAVFRHDZYWBMM-INIZCTEOSA-N 426.502 1.648 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1316500908 PRUXDFPZHNKXTC-WSQOEDGESA-N 430.509 1.312 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2cccnc2)nnc1N1CCSCC1 1316568759 YLYASLOBHQKTCJ-VHEBQXMUSA-N 425.518 1.344 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 1356377183 CKSSGXVOYKAPPZ-OAQYLSRUSA-N 449.529 1.990 30 10 IDEE C#CCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358935208 ATERQIMJORKKRS-QFIPXVFZSA-N 430.553 1.726 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358939766 FGTWMKDZURHXMN-CVDCTZTESA-N 446.596 1.331 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1358939960 LAROQZAIFHYGTJ-UWJYYQICSA-N 441.523 1.744 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358962516 RDESZOHHTSLCBT-HCXYKTFWSA-N 436.578 1.819 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1COCCO1 1358981750 WCGVFCOPJUEIRA-HSZRJFAPSA-N 448.571 1.131 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1359019965 NGLVFQDMHSVHBK-JOCHJYFZSA-N 438.488 1.950 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1359024616 QTVADVATIQBNNO-INIZCTEOSA-N 432.502 1.043 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCOCC2(C)C)CC1 1359032405 NDEJYJVZFKJIOY-UHFFFAOYSA-N 443.983 1.860 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359062706 QFYHOTPVWHFOFP-SJLPKXTDSA-N 443.577 1.894 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359089293 GENOXUCGNZVTLR-SUWCGCSTSA-N 433.553 1.782 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC 1359114141 ZBAJZJJMQNMEAV-BZSNNMDCSA-N 441.598 1.829 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359221493 DADZEGAAQAZYCO-INIZCTEOSA-N 425.493 1.329 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1359240681 VJMIRIPAPNRCFL-QZTJIDSGSA-N 440.614 1.498 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359332424 XDQCAPCDMDEHLA-GVDBMIGSSA-N 428.555 1.013 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](CC(N)=O)C1 1359334201 WXJMVFCESWTOMU-OAHLLOKOSA-N 437.591 1.623 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1359355046 HLGBYCQEBDRXPP-INIZCTEOSA-N 448.487 1.743 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359614070 RKNFCNLGBHUNPI-XMMPIXPASA-N 449.559 1.990 30 10 IDEE Cn1ccn2c(CNC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)nnc2c1=O 1438969030 ACUIFONRUDTAPW-UHFFFAOYSA-N 439.907 1.876 30 10 IDEE N#Cc1ccc(-n2ccc(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)n2)c(Cl)c1 1446682285 RRXDBYWWUYNMEY-AWEZNQCLSA-N 428.811 1.661 30 10 IDEE N#C[C@]1(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCc2ccccc2C1 1447862847 BRCMGBICSALTKB-QFIPXVFZSA-N 441.509 1.694 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3cc(F)cc(F)c3)c3c2CCC3)CC1 1449058200 GTIGITIMLBDSGX-UHFFFAOYSA-N 427.455 1.146 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1COCCC1(OC)OC 1453770717 SNWKLOKNQUFWJG-OAHLLOKOSA-N 443.294 1.992 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 1454454580 BLADJKGEZVYKFW-KRWDZBQOSA-N 439.534 1.857 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(CN3CCNC3=O)CC2)CC1 1460855721 HMOCRDPQRXTPFK-SFHVURJKSA-N 430.578 1.194 30 10 IDEE C#C[C@H](NS(=O)(=O)c1cnc2nc(O)nc(O)c2c1)c1ccc(Br)cc1 1463777187 SBYBWZKKCXLAOF-ZDUSSCGKSA-N 435.259 1.851 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(I)cc1O 1464922832 GSBTYXDZNZYENC-SQFISAMPSA-N 427.198 1.253 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1 1470033105 DLESZTYOUFECKK-UHFFFAOYSA-N 428.514 1.483 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1503708034 YZBSIXJFYKVEGE-INIZCTEOSA-N 437.548 1.941 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1507538606 NXFHTPKWJXIVIG-VDZJLULYSA-N 445.545 1.073 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507623659 VFPNFUIXHYSZSF-QGZVFWFLSA-N 438.594 1.788 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCN2CCC)CC1 1507732548 WJYPIRYBIKHIDB-WOJBJXKFSA-N 448.637 1.200 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507782366 CEKUZGFFNFAEEJ-UHFFFAOYSA-N 429.344 1.700 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C 1508036545 QFJWCPQXBTZKJP-UHFFFAOYSA-N 427.571 1.366 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1508096643 IJZVLDGGGSRELN-DLBZAZTESA-N 432.569 1.811 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCCC2=O)C1 1508132637 XQPPGCDJYSOQCK-IBGZPJMESA-N 444.580 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1508146247 VZMAQRFAKRIJBI-UHFFFAOYSA-N 435.550 1.742 30 10 IDEE CCN1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1515855524 DSWPMNXCLYLDBZ-GOSISDBHSA-N 444.561 1.448 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NCc2ccco2)CCOC1 1516169304 LIMSFUJJCMRQOF-JOCHJYFZSA-N 442.520 1.970 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1517025392 CXZBMIBNGCXPMD-IBGZPJMESA-N 446.577 1.266 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)C1=O 1521723485 CHKAUTRYEAGUFP-UHFFFAOYSA-N 428.445 1.853 30 10 IDEE C#C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1529522380 VMKQPXDLXTUHGX-MRXNPFEDSA-N 429.336 1.614 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1533654897 FAJNJHUNJSCOIZ-MSOLQXFVSA-N 439.509 1.142 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539213169 WQFNCXUVQXAPHA-INIZCTEOSA-N 445.545 1.519 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)COC1 1539238274 UVJYSRUMLLCNDU-UHFFFAOYSA-N 426.546 1.656 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)F 1539258408 WMNNEGUWFCFDGI-UHFFFAOYSA-N 436.488 1.940 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2)n1 1539423750 FKAXVBKOMLQGJD-HXUWFJFHSA-N 433.516 1.760 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2nnn(C)n2)CC1 1539438467 XQWFFRZCLKCYGG-UHFFFAOYSA-N 442.325 1.035 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2C(C)C)CC1 1539469972 WBZUFBLTRWLWMH-BHYGNILZSA-N 436.582 1.071 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)CCOC)CC1 1539480798 FESKUGSWICQSPY-XMSQKQJNSA-N 433.553 1.273 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539903429 ZIYZZZWFGCGQGL-WBVHZDCISA-N 435.598 1.667 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1540006730 WAKPYMMXTOPRKB-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(OC)C1 1540907303 RQNVVGFRSIZDHG-IBGZPJMESA-N 425.555 1.007 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540917002 LVBCUYVUVDATQQ-GOSISDBHSA-N 434.610 1.446 30 10 IDEE CCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547007564 XYBGMQMFYOYTKZ-GOSISDBHSA-N 438.536 1.496 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1555816544 PTLFOFMMTFHHCW-RBUKOAKNSA-N 444.561 1.619 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1555990970 VBKYPLTUUSZQBU-HOTGVXAUSA-N 437.495 1.325 30 10 IDEE Cn1cc(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 1556162728 BSWJQIWVAFMZRS-UHFFFAOYSA-N 425.489 1.947 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1556458025 XGHFAFWFKXQNFB-FDDCHVKYSA-N 442.516 1.537 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOc3ccccc3[C@H]2CO)CC1 1560171017 OITGRXNDKQPZCE-RTBURBONSA-N 426.542 1.885 30 10 IDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)NC1CCN(c2ccccc2C#N)CC1)C(F)(F)F 1562780479 DUJANBJELPROKK-MRXNPFEDSA-N 447.483 1.649 30 10 IDEE C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@H]1CC[C@@]2(O)C(=O)COP(=O)(O)O 1565504203 JDOZJEUDSLGTLU-WXXAPDNRSA-N 440.429 1.675 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3cc(Br)cnc3n2C)CC1 1565589880 CMSCHPVCARSAKZ-UHFFFAOYSA-N 432.322 1.233 30 10 IDEE CN1CCCN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1565611843 TVPZERYDOHWKNB-FVRICEFQSA-N 433.597 1.917 30 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CCOC(=O)CON=C(C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1)c1cc[nH]n1 1596017179 NXRSCHKXWDVRHE-QGZVFWFLSA-N 442.520 1.020 30 10 IDEE COCc1ccc([C@H]2COCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)o1 1610946543 VWCYSNNJNIORNZ-GOSISDBHSA-N 433.486 1.832 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1613429343 GVPQNPVDCNOPHB-GDBMZVCRSA-N 426.477 1.707 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1613429346 GVPQNPVDCNOPHB-ZBFHGGJFSA-N 426.477 1.707 30 10 IDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CCC1 1615985312 RWTIVPOVPPYSEJ-PMACEKPBSA-N 434.606 1.870 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1c(C)nn(C)c1C 1620019327 MGSVDTUHRXFYHH-PKOBYXMFSA-N 442.568 1.577 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2ccc(Br)cc2CC(=O)OC)CC1 1622584406 KPPJBYQKSQNOKX-UHFFFAOYSA-N 429.336 1.541 30 10 IDEE C#CC[C@H](NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2)C(=O)OC 1626187792 IUPOFRNDEAEOQG-SJORKVTESA-N 429.473 1.759 30 10 IDEE C#CC[C@@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1629617382 NVQHAJZEMYMJGR-SPLOXXLWSA-N 440.493 1.015 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1630608666 TYWLVTPMQGICQV-UHFFFAOYSA-N 448.527 1.663 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccc(CN3CCNC3=O)cc2)C1 1634107612 GCLNUAIORFFCGN-ZWKOTPCHSA-N 442.520 1.770 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1634782475 KUYCBQPNPUAJSU-DLBZAZTESA-N 427.567 1.015 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)c(C#N)c2N)cc1 1634946700 IAQOSGQLWGRBAF-INIZCTEOSA-N 444.561 1.355 30 10 IDEE C=CCOC[C@H](NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C(=O)OC 1635158737 JDHWSSAQWIGPTF-IRXDYDNUSA-N 436.509 1.929 30 10 IDEE CSc1ccc([C@@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)N(C)C)cc1 1635570060 DJEKXAIBVSNALW-QGZVFWFLSA-N 428.518 1.412 30 10 IDEE COc1ncc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C#N 1637830051 QXUPXQMUPHDNAF-UHFFFAOYSA-N 432.458 1.430 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C1CSC1 1641189232 XSYVTGHTFJBLRL-INIZCTEOSA-N 449.598 1.647 30 10 IDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cnn2c1 1642708954 AAPDGIINGIPTPX-QGZVFWFLSA-N 439.520 1.609 30 10 IDEE C=CC1(CC(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)CN(C(=O)OC(C)(C)C)C1 1643794159 VIOXJUZESLFABX-UHFFFAOYSA-N 427.509 1.834 30 10 IDEE CC(=O)N(C)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1645628569 AJWQIEIBQILLMD-UHFFFAOYSA-N 428.514 1.804 30 10 IDEE N#C[C@@]12CN(C(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1646440145 XMSCXJNFVGHSSO-JTSKRJEESA-N 439.493 1.605 30 10 IDEE C#CCC1(NCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCOCC1 1648364067 PFWWZMGHGHEIII-UHFFFAOYSA-N 433.574 1.640 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(O)(c3cccc(Br)c3)C2)c1 1648661143 QFPXJNAQGIECQD-UHFFFAOYSA-N 449.326 1.704 30 10 IDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1675451816 YVAJZEAKQQUENA-INIZCTEOSA-N 432.477 1.532 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1682987895 PYHVEYABCLYHKY-KRWDZBQOSA-N 430.509 1.421 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986372 OGPVFILIXBYUQD-MJGOQNOKSA-N 430.578 1.251 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689987941 GEAIGEVZXSWZEC-MOPGFXCFSA-N 448.593 1.757 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689993877 NAIVHVDPVFTISU-IBGZPJMESA-N 449.621 1.800 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690667278 XQCLXEQCFRCADA-ZBFHGGJFSA-N 428.924 1.863 30 10 IDEE CCc1nnc(N2CCN(C3CCC3)C[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694741706 WOIXWOPZCURIEV-BZROSYFNSA-N 427.553 1.678 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN(C)CCCOC 1694781275 PDJMSTAYZYMVQR-IBGZPJMESA-N 425.537 1.500 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1697988434 GXKOBCQOERRTMK-HSZRJFAPSA-N 437.548 1.644 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705566107 XTEGJMOCOVJICJ-GOSISDBHSA-N 433.578 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1705588498 GPMISOBFWZAWSD-HNNXBMFYSA-N 433.509 1.547 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1S(C)(=O)=O 1705588950 IAPVXGMOYGYTBP-GOSISDBHSA-N 448.593 1.083 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1705589148 NSJIZIUABISSST-IRXDYDNUSA-N 447.536 1.958 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCn1c(C)nc2ccccc21 1705630587 ZCRFPOIDTOMMIF-UHFFFAOYSA-N 435.532 1.845 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2OCCC2(C)C)CC1 1705635234 UPADXPFIWOMHDY-AUSIDOKSSA-N 431.581 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(F)(F)F)CC1 1705648396 VNIBMYYKAQGHOH-UHFFFAOYSA-N 438.410 1.534 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705659425 VYSHRFQHVQTJEJ-KRWDZBQOSA-N 429.571 1.642 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCO2)CC1 1705781775 HSCWIEHOJGLCNS-MSOLQXFVSA-N 437.566 1.359 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](COCc2ccccc2)C1 1705901820 XNKNBQDERQVZQE-MOPGFXCFSA-N 438.532 1.575 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)C1 1705925243 MWSWELMOXNGKHP-GDBMZVCRSA-N 440.957 1.512 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](SCC)C1 1705934766 WOOCRTXVBQZREO-HOTGVXAUSA-N 441.623 1.942 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)OC)C1 1705937167 KZJPSQHBAZLOKL-INIZCTEOSA-N 438.575 1.921 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1706073037 JVXVXTXTJDJHDN-XOBRGWDASA-N 444.565 1.312 30 10 IDEE COc1cc(F)cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1711684767 BHVVFKFCICXQAS-QGZVFWFLSA-N 437.435 1.850 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722426808 CDOKKFDNUBXZHK-GBESFXJTSA-N 445.543 1.562 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722533502 UWQMZZRCAMDRAR-UHFFFAOYSA-N 440.592 1.980 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C)C1 1722727238 GZUKWLQHWWLZBC-YJBOKZPZSA-N 434.518 1.617 30 10 IDEE CC(C)(Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1723029916 DYSYHWAABSQHDF-MRXNPFEDSA-N 446.502 1.987 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1724686951 XCJPJPRBOYLZPC-ZREAOVPFSA-N 447.499 1.433 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccnc(OCC(F)(F)F)c2)CCO1 1731188474 GKCPMVJXBVTVSB-CQSZACIVSA-N 446.393 1.848 30 10 IDEE C#CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740597776 YQPLVWBDNYGPNX-FQEVSTJZSA-N 439.582 1.204 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1740618250 FWUJMHSIQLAYCV-INIZCTEOSA-N 428.518 1.563 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740626581 BYIVCGYCOGOQKJ-GBESFXJTSA-N 437.610 1.562 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1nc(C)no1 1740629952 CCHNRTCPWQYPQC-UHFFFAOYSA-N 438.513 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1740705637 KFHHPXFMVDCUIK-UHFFFAOYSA-N 433.578 1.479 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(N)=O)CCOCC1 1740735805 FEEGJEGAEBKLHP-XGHQBKJUSA-N 431.537 1.276 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCc2ccco2)CC1 1740832840 JFRBOPJRVPYBIP-CQSZACIVSA-N 436.538 1.200 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1740898951 BCFRQWGUJGLEGU-KXBFYZLASA-N 427.571 1.174 30 10 IDEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1747931125 CIHRZGUHEJWNQO-INIZCTEOSA-N 447.540 1.386 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](CC)N2CCCC2)CC1 1748971556 VHHYHNBLGBNKTF-HXUWFJFHSA-N 429.613 1.826 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(OC)CCOC2)CC1 1749011028 YGEXJFGKLADVTN-GCJKJVERSA-N 431.537 1.291 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 1749126733 GHCAOBGHAQASLJ-DYESRHJHSA-N 442.564 1.996 30 10 IDEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1749246397 BJTWICKDRWPMBH-UFYCRDLUSA-N 441.532 1.667 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1749560224 JNCXJCQPMXDURL-SQGPQFPESA-N 439.582 1.795 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1749574956 ITPRPQYWFICPCM-IRXDYDNUSA-N 439.582 1.605 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1749613262 IADUIWPZFCPOSZ-QFIPXVFZSA-N 429.521 1.725 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(SC)CCN(C)CC1 1750008058 NFTHPXJMBGHOSI-IRXDYDNUSA-N 438.598 1.558 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1760116556 IIRDYUBNYRIQKA-HUUCEWRRSA-N 428.518 1.394 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760284055 FCSFJMNONPGNNR-IBGZPJMESA-N 446.621 1.316 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1760516376 LXZBMBAEFDWGNI-CVEARBPZSA-N 438.540 1.247 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)n2)C1 1760541909 BRFPJUSOICUIFQ-HKUYNNGSSA-N 431.562 1.908 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1760548550 JJOCUYRXOHNSKR-INIZCTEOSA-N 433.582 1.924 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCOC(C)C)CC2)c1C#N 1762403398 SIUCXVPDKKDTQB-GOSISDBHSA-N 442.568 1.837 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2ccco2)C1 1769157055 GYJLATIKXCLHSY-HSZRJFAPSA-N 447.499 1.802 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCCCS2(=O)=O)c1 1770735014 BCEXBQKJZPWFFZ-QGZVFWFLSA-N 428.518 1.110 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)CC1 1850075180 MKXLAQCSWFGRTH-UHFFFAOYSA-N 431.562 1.490 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CNC(=O)c3c(F)cccc3F)CC2)nc1 1853329497 NATAAFZVNKVYKD-UHFFFAOYSA-N 429.427 1.327 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCN1CCOCCC1=O 1854973809 KZPMMJVFBIVZHO-OAHLLOKOSA-N 432.908 1.328 30 10 IDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1 1855735139 FZNCIWMKBVPOBG-MRXNPFEDSA-N 427.482 1.694 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1F 1857412209 GKTQWHNDOLYPMR-QGZVFWFLSA-N 436.509 1.071 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)c1cc(C)cc(S(N)(=O)=O)c1 1869032490 QFHZRHHWWWREBX-KRWDZBQOSA-N 425.576 1.695 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2Cl)c(=O)cc1CN(CCO)CCO 1870644661 JTSRTOJLNWDBKR-UHFFFAOYSA-N 449.935 1.800 30 10 IDEE COc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 1874274708 OLYCQUBFZRAPPM-KHAGQWAKSA-N 430.534 1.861 30 10 IDEE COc1ccc(-c2ccc(=O)n(CC(=O)NCC#CCN3CCCCCC3)n2)cc1OC 1890050908 NFYWZPUVCCIWIL-UHFFFAOYSA-N 438.528 1.923 30 10 IDEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCC(C#CCN(C)C)CC3)n2)c1 1890289215 MVTXFNJEEPUOAN-UHFFFAOYSA-N 438.528 1.731 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 1988055599 QPBNAACDCYGZFU-KBPBESRZSA-N 425.482 1.483 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1993341234 CQFQDSAHPPWIFL-CABCVRRESA-N 426.514 1.624 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2006228766 UFFLFFJJBVXADD-GFCCVEGCSA-N 425.345 1.983 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2232253316 ZBOCHKXEPSBPLS-JOCHJYFZSA-N 449.357 1.473 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2247856836 CAYBVOQOWHZGCB-KGLIPLIRSA-N 438.355 1.757 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255609866 LEIZXXZGHFYUKO-ZIAGYGMSSA-N 434.346 1.610 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2255672861 MIBFFDZDNSOGLL-NVXWUHKLSA-N 425.342 1.507 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2255866551 SIJQAQCDWCCARO-HNNXBMFYSA-N 434.342 1.943 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)COC1 2256675926 KMKBTWLNSUNDNY-UHFFFAOYSA-N 437.277 1.752 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267551212 JQENPRANISXDDG-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881258 GAYHPABMJBAOLW-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2268989860 ISPYJPCMEGGDHY-INIZCTEOSA-N 443.309 1.428 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)c(F)c2)OC1(C)C 2282322479 MPHJLFCEQVNDQU-MRXNPFEDSA-N 427.303 1.699 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)C1CC(B2OC(C)(C)C(C)(C)O2)C1 2312853810 KOAOWJZUEMWUBB-NEADZQPHSA-N 440.346 1.316 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CN(C(=O)OC(C)(C)C)C1 2315533665 LRKPIYHXIJLGSB-ZDUSSCGKSA-N 434.346 1.705 30 10 IDEE COc1ccc(S(=O)(=O)NN=Cc2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1OC 2323404191 GXTSMJHMMAJPEO-UHFFFAOYSA-N 425.419 1.942 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(=O)OC)cc1 2330795142 JRSSUMGQNRQQNE-UHFFFAOYSA-N 433.490 1.628 30 10 IDEE CC1(C)OB(c2ccc(CN3C(=O)CCS3(=O)=O)cc2Br)OC1(C)C 2349898712 PAIASLVSBZARCG-UHFFFAOYSA-N 430.129 1.810 30 10 IDEE C=C1C(=O)[C@@]23C[C@@H]1C[C@@H](O)[C@@H]2[C@]1(COC3=O)[C@@H](COC(C)=O)C(C)(C)CC[C@H]1OC(C)=O 85970955 LUXJXSFHXOVGTA-QPTDJLEWSA-N 448.512 1.973 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 109937976 GLCHNPTYUDYMLP-GOSISDBHSA-N 444.538 1.962 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1CC 447265768 IHHILBDTENUUMP-UHFFFAOYSA-N 437.363 1.934 30 10 IDEE COc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)ncn1 460907286 FDFCVILNYROFFZ-UHFFFAOYSA-N 427.408 1.887 30 10 IDEE CN(C)C(=O)[C@H]1CN(C(=O)c2sccc2C#N)CCN1C(=O)c1sccc1C#N 468920128 IOHAFUBMMZMDFL-CQSZACIVSA-N 427.511 1.608 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 478756038 POGVTEKXNNWWSH-PBHICJAKSA-N 439.493 1.052 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 480929331 GSHXGZKKPWDLIE-CYBMUJFWSA-N 433.555 1.187 30 10 IDEE COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 481016099 AQEVGMASAUDNMY-HNNXBMFYSA-N 437.474 1.770 30 10 IDEE CSc1nc(O)c(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cc1C#N 501281467 WLHRMVYUHYSZIO-UHFFFAOYSA-N 431.562 1.835 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 505395743 NNAVBAZNAMREQX-QGZVFWFLSA-N 448.589 1.356 30 10 IDEE C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 508845885 DLAUPZHBXLNMNV-INIZCTEOSA-N 444.561 1.583 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 511328875 UFPSAPOKQJLNRU-UHFFFAOYSA-N 449.563 1.177 30 10 IDEE N#CC1(CS(=O)(=O)NCC(=O)Nc2ccc(I)cc2)CCC1 521318044 KIACRFBWCDDMBC-UHFFFAOYSA-N 433.271 1.843 30 10 IDEE N#Cc1ccc(Nc2cccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)c2)cc1 523134551 OQVXXQONIZUSEL-UHFFFAOYSA-N 433.512 1.918 30 10 IDEE N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 539097852 RCNMRQKHVJGGPP-PMACEKPBSA-N 437.521 1.877 30 10 IDEE O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 540574429 BXNAWNBISIQPPH-CYBMUJFWSA-N 433.280 1.825 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541801768 JVEOBYLUPBFEHY-UHFFFAOYSA-N 429.498 1.891 30 10 IDEE Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 544867481 CIQLWJANVVNANY-UHFFFAOYSA-N 425.514 1.665 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCO1 549472163 HRVYQFNHSPNFMU-RDJZCZTQSA-N 432.550 1.970 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 603800224 UNXNEYXNHQKVID-KRWDZBQOSA-N 427.526 1.125 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1OC)C1CC1 685534975 GVXGLZDSLBCGEX-LJQANCHMSA-N 447.561 1.975 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 728590263 ZFCBMVXUDRBUFQ-NTUHNPAUSA-N 426.336 1.117 30 10 IDEE C#CCN(C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 729330761 DNSDWFUIKMYBKT-SJORKVTESA-N 441.347 1.665 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c(C)c1 730142932 QNCQEXFZOBAXGK-SFHVURJKSA-N 447.605 1.827 30 10 IDEE COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2=O)cc1OC 732650522 VMMQOELENXJGJW-PKOBYXMFSA-N 426.517 1.294 30 10 IDEE Cc1noc2nc(-c3ccccc3)cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c12 732911073 XYXKBTWMVFPPGD-MRXNPFEDSA-N 438.465 1.778 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)c1 744600414 DPNBKMPKTBGAIB-QGZVFWFLSA-N 436.486 1.333 30 10 IDEE COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C#N 746876186 CDZKGDVHLJMMMI-UHFFFAOYSA-N 433.486 1.569 30 10 IDEE COc1cc(C)c(CN2CCN(C(=O)COC(=O)c3cc(C#N)cn3C)CC2)cc1OC 751731769 VFFIGRXHWJFBAZ-UHFFFAOYSA-N 440.500 1.724 30 10 IDEE COC(=O)[C@H](OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc(C#N)cc1 755188365 ZMDOZOFQIOIKQF-SJLPKXTDSA-N 445.472 1.831 30 10 IDEE C#CCN(C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C1CCCC1 757440002 WTNHYXGAOPYRBL-UHFFFAOYSA-N 443.525 1.979 30 10 IDEE CN1CCN(C(=O)C#CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)O 757473508 FVKDWINDLGFSOT-QFIPXVFZSA-N 447.491 1.756 30 10 IDEE Cc1cc(C)nc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)n1 758752847 CLYFXZXBAXKJQX-IAGOWNOFSA-N 429.525 1.684 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CNC(=O)c2cccnc2)n(Cc2ccco2)c1C 767605032 FQORBNGKKBGODO-UHFFFAOYSA-N 435.440 1.925 30 10 IDEE N#Cc1ccc(C2(C(=O)NS(=O)(=O)CCNC(=O)OCc3ccccc3)CC2)cc1 813978413 RITPBWTULYJBJI-UHFFFAOYSA-N 427.482 1.962 30 10 IDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)c1 1083864705 UXYJXZGIEZLRHY-UHFFFAOYSA-N 427.490 1.561 30 10 IDEE CCCC(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1141645883 UNBYBALWYGSBQH-SFHVURJKSA-N 425.489 1.671 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1147383496 BLHRBVRTNBFOPK-SFHVURJKSA-N 431.470 1.693 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CS1(=O)=O 1165525645 CVNJHDCCLFZWMR-PBHICJAKSA-N 439.559 1.041 30 10 IDEE N#Cc1cn(CCNC(=O)NCc2ccc(Br)cc2Cl)c(=O)nc1O 1221554576 BMBSUHINWXYIJS-UHFFFAOYSA-N 426.658 1.736 30 10 IDEE C=CCC1(O)CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1221821555 PGPUKMACTQTSBI-GOSISDBHSA-N 430.553 1.395 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1286388407 OSIOLDPGRPPACU-SFHVURJKSA-N 440.529 1.546 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C2OCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1286393290 JQAFYVODKSIQGZ-GOSISDBHSA-N 430.530 1.561 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1286486257 KAVVKHXXFYDESK-FDDCHVKYSA-N 429.565 1.880 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2scnc2C)CC1 1286490702 PKGLGPYRGBHZHE-MRXNPFEDSA-N 441.561 1.203 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286602366 XXDVIQFHALZYKY-FQEVSTJZSA-N 445.612 1.323 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286687363 IUNILJQLVAXDMX-IRXDYDNUSA-N 444.623 1.940 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286776372 WFFCFRHRPOQZGN-SJLPKXTDSA-N 438.598 1.108 30 10 IDEE C=CCn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286777813 MHUCJCOZMNHKIW-JOCHJYFZSA-N 441.536 1.325 30 10 IDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1287463737 LUUPDZYTKCYCPT-LJQANCHMSA-N 429.498 1.527 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CCO1 1291278739 BCZCIPMECKOJFX-UYAOXDASSA-N 440.548 1.801 30 10 IDEE CCOC1CC(Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C#N)(N2CCOCC2)C1 1296917704 GXQXWCLIZHULSW-PDDLGQBUSA-N 440.552 1.601 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1297716911 IDSKKXSXZUXINF-UHFFFAOYSA-N 446.577 1.694 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)C1=O 1299143401 DFEAYGAIGYUNKI-QLFBSQMISA-N 434.493 1.115 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1300380992 LGJAWDSDNDVXNW-OAHLLOKOSA-N 447.561 1.882 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccnc1)C(C)C 1300466581 YGNUDVMVNHWYOR-OALUTQOASA-N 446.577 1.515 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1300496734 UMGAKWAGEVZYEB-OTWHNJEPSA-N 435.594 1.141 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cc(F)ccc2OC)CC1 1300684058 WSNXAVVCXLLEAI-KRWDZBQOSA-N 431.512 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O 1300886342 XFQXTOBZSFGDDN-INMHGKMJSA-N 425.555 1.081 30 10 IDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1301433098 KEOPUNPHWLEKAF-HZPDHXFCSA-N 425.530 1.918 30 10 IDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1301433099 KEOPUNPHWLEKAF-JKSUJKDBSA-N 425.530 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301586252 JBUYIHQGHZKZGQ-OAQYLSRUSA-N 431.562 1.366 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1302095937 GHOKVEKIANSELW-OWCLPIDISA-N 446.474 1.615 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1302229415 DOGHIVRIYCLBME-MRXNPFEDSA-N 428.493 1.059 30 10 IDEE CS(=O)(=O)CC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CC1 1302448526 AHLVEWMFXKLWGR-UHFFFAOYSA-N 434.566 1.469 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1303638935 CMWXOXWUUPEXPV-JKSUJKDBSA-N 449.556 1.803 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC[C@](C)(C#N)C2)C1 1313273964 AJNBIADEOJYMRK-DNVCBOLYSA-N 428.555 1.746 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1313488456 HQDXIZDJXXMTLA-OAHLLOKOSA-N 447.565 1.460 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CC2(CC(=O)N3CCOCC3)CCCC2)n1 1326746114 XGCRFLMNZOVRLY-UHFFFAOYSA-N 430.549 1.691 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1358964903 JURDDWIDURBVDK-MRXNPFEDSA-N 445.574 1.217 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC(C)(C)C1 1359021059 ACFKPZPEMPQBAG-UHFFFAOYSA-N 441.532 1.871 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1359023225 DNVAORHUHAIWJW-DLBZAZTESA-N 448.568 1.818 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)N(C)C)CC1 1359036424 WKSCFMIBZADNGJ-LJQANCHMSA-N 437.596 1.157 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccco2)CC1 1359046223 JIFXPARIAUHIBW-DEOSSOPVSA-N 448.527 1.730 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCN2CC)CC1 1359047895 XQPKRUHFCQSCLP-VQTJNVASSA-N 428.581 1.970 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(c2ccnn2C)CC1 1359060430 VHOBBYFBAOMVAR-UHFFFAOYSA-N 427.578 1.884 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCOCC1 1359073556 VTGCKNUOERFABL-JOCHJYFZSA-N 425.537 1.381 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)C1 1359313664 PRDHQOUWDPJEOI-GDBMZVCRSA-N 436.538 1.122 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)c1 1457968104 AEABUFYOASOZBM-HXUWFJFHSA-N 442.541 1.162 30 10 IDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 1464605878 QOQUSYZJKHGDMA-UHFFFAOYSA-N 435.459 1.950 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)C1CCOCC1 1479007584 LMWWMJQENVADAK-HNNXBMFYSA-N 449.558 1.136 30 10 IDEE C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCC1 1505148173 FZJHULQAYGLQCX-WJOKGBTCSA-N 442.545 1.356 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(CN4CCCC4=O)n3CCCCCO)CC2)nc1 1505319017 PNDHGPCNNZNOCH-UHFFFAOYSA-N 438.536 1.156 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCO4)n3CC(=O)NCC(F)F)CC2)c1 1505319868 NJPUDTSKRJKRKL-OAHLLOKOSA-N 446.462 1.104 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507628967 JFKIDHIQZZYGOC-MRXNPFEDSA-N 426.502 1.620 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507630028 YLNNTLNZUPHHHV-INIZCTEOSA-N 435.937 1.313 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1507631347 OUDKJMUJLCSLLT-DYESRHJHSA-N 445.545 1.081 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1507653386 NXDLQNYRLPQUPH-LJQANCHMSA-N 439.541 1.051 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2COCCO2)CC1 1507727853 MZTDANDMHAIDGI-NRFANRHFSA-N 425.533 1.243 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507756672 PXWVECUFJSDOGP-JOCHJYFZSA-N 426.590 1.931 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1507798847 HVSMYVGJKOAPDH-ZOBUZTSGSA-N 442.486 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1508149446 VEDLEHFAINEIEU-UZLBHIALSA-N 442.582 1.535 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1508152310 KNEWACZOMKQPDC-CYBMUJFWSA-N 431.584 1.197 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1508421698 CBLUKFYZKDVVJB-ZIAGYGMSSA-N 436.563 1.268 30 10 IDEE CC(C)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508952836 MQNBAZUHWBPCHY-BSBNDGSWSA-N 438.536 1.730 30 10 IDEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)C 1515718663 CGZSSUSCJUEVED-OAQYLSRUSA-N 439.564 1.888 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C1 1517679428 CCOYESBFPZPADJ-QGZVFWFLSA-N 435.488 1.704 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1519529441 CILUKEGWWHUFEW-GOSISDBHSA-N 428.518 1.243 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1531936352 FSGCCHUBDXAVOV-MRXNPFEDSA-N 444.937 1.820 30 10 IDEE COC(=O)[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)[C@H](C(=O)OC)C1 1536538963 IATBGBAJZZSJMN-FZMZJTMJSA-N 439.262 1.653 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(OC)c1 1538970601 CVPIZZPWEBJFJW-ARFHVFGLSA-N 435.550 1.822 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1539002434 DCEZEEAZRXNFGL-OAHLLOKOSA-N 431.504 1.871 30 10 IDEE C#CCN(c1nnc(C)n1CCc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1539206638 SUUYJCFLHFQVCK-LBPRGKRZSA-N 433.481 1.931 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1539239066 GQUOBIPKZGQKRR-QZTJIDSGSA-N 440.573 1.412 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1539289470 MYMPDMQFUZBQQQ-UHFFFAOYSA-N 429.546 1.438 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539507492 XPJMCSYGISVPCJ-LJQANCHMSA-N 429.546 1.661 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539514330 PNQWPPAKFJYEQH-MRXNPFEDSA-N 441.623 1.399 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CC[C@@](C)(C#N)C3)CC2=O)cc1 1539935746 SGXSNFLNKBZXPI-IERDGZPVSA-N 432.546 1.832 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3N)CC2)cc1 1540728352 CZEQMBXYBBIWKN-UHFFFAOYSA-N 436.497 1.473 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540875274 GEBMHGJMEYMUBO-HNNXBMFYSA-N 446.895 1.454 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1541693417 AHHUWUSNPFDALU-UHFFFAOYSA-N 444.561 1.602 30 10 IDEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1542800233 DMSHCTIOUAAONG-GFCCVEGCSA-N 439.490 1.522 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C[S@](C)=O)c2ccccc2)s1 1543463486 JYZSBRDLPGRBNA-DXPJPUQTSA-N 426.585 1.991 30 10 IDEE CCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1546842087 GPBXSQBLMJORBY-HTAPYJJXSA-N 438.536 1.374 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCc2ccccc2)CCOC1 1547919426 NWZYADSGNDPQER-UGKGYDQZSA-N 427.505 1.876 30 10 IDEE CN(C)C(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1552723971 BMXUKPDBMWWGQI-OWCLPIDISA-N 447.540 1.256 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1554796992 RBXRPZMYGAAFSR-APWZRJJASA-N 429.477 1.497 30 10 IDEE C=C(CCC(=O)OC)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1566104919 OIUZZNSSYCUCNW-UHFFFAOYSA-N 431.461 1.809 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 1583820842 OAGNVSINSJGYEU-UHFFFAOYSA-N 434.436 1.787 30 10 IDEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585660340 KQIXWHUPSKLSHE-WTOJCKNJSA-N 432.527 1.354 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Oc3c(C)nn(CCC#N)c3C)C2=O)cc1 1586080351 QCHWWZMCKJDXAW-OAQYLSRUSA-N 425.445 1.795 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1588055033 RRWSDAGAKAOOGD-AEFFLSMTSA-N 435.594 1.725 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)CC1 1588199111 HJCNSUWLRMNMQP-UHFFFAOYSA-N 441.435 1.117 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1588386004 MJOKTHYRYRGEQX-MRXNPFEDSA-N 425.518 1.269 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCc2cnn(C)n2)CC1 1588871994 UPGICNAJXBRPEG-UHFFFAOYSA-N 438.511 1.513 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1589559355 QJWDHAJGZBVAQH-KNQAVFIVSA-N 440.548 1.540 30 10 IDEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1589731652 QRYRVIGCZYVOMK-UHFFFAOYSA-N 428.537 1.414 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1593729707 NQXPDIMSBQZXKZ-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 1594788727 RQKHHCHKWAFIRG-KRWDZBQOSA-N 448.545 1.941 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21)C1CC1 1595020814 OSTHJYGPYJEOSG-BTYIYWSLSA-N 431.562 1.877 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1595556712 ZQCVYCWLCCJYEN-UHFFFAOYSA-N 436.560 1.928 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 1595613340 CJMSSZOGDSGKJP-CRAIPNDOSA-N 447.561 1.712 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(N)=O)c2)C1 1595680095 GDEXGPSYTSZPGF-AUSIDOKSSA-N 441.532 1.859 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CC1COC(C)(C)OC1 1595798915 VKZFFLFRVAREGB-KRWDZBQOSA-N 442.582 1.956 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595811879 FKNXSYQOXNBFNX-LJQANCHMSA-N 435.575 1.248 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)OC)C[C@@H]12 1598329556 MXTRYUXHODORAM-ILMPWQCYSA-N 447.557 1.988 30 10 IDEE Cc1ccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1607600523 AOLKYDNBCDVSIZ-UHFFFAOYSA-N 449.378 1.714 30 10 IDEE Cn1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 1618422429 ASSQEZKEPCORNN-UAGQMJEPSA-N 442.524 1.559 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1620053525 OPVSRFDPZWPFST-RBUKOAKNSA-N 438.532 1.973 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCCC1=O 1620099838 PPDBLJNHXDPBDG-MDKPJZGXSA-N 434.516 1.847 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 1628751776 DEOUZJPAWQBXOU-PAXLWEDBSA-N 431.489 1.552 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1628849825 PFYUOIOZVLEHIR-USXIJHARSA-N 428.348 1.543 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)CC2)c1C#N 1633056415 WDGIHNYUHFVBTA-KRWDZBQOSA-N 434.541 1.567 30 10 IDEE N#Cc1cn(CCNC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c(=O)nc1O 1633550611 UWYKCVMXSHCKQO-LBPRGKRZSA-N 436.255 1.297 30 10 IDEE C=C(CN(C)C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1634741699 VRBJEGBRNVSBDM-OAHLLOKOSA-N 430.368 1.836 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)cc1 1635502925 AHGKRMHGXKMTNF-UHFFFAOYSA-N 441.513 1.695 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O 1638878439 HRBWLPGAJYVOJO-CYBMUJFWSA-N 429.351 1.102 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(COc3ccc(C)nc3)c2)CC1 1644285557 RGYNNHQEBOGJBB-UHFFFAOYSA-N 428.514 1.194 30 10 IDEE C=C(Cl)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1648780325 WXTSDDPGQPXSLN-OCCSQVGLSA-N 427.910 1.694 30 10 IDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1653831139 CXCVCDVDPIBONX-GOSISDBHSA-N 443.481 1.243 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1661512704 FQEYSNNXLRLFLE-LLVKDONJSA-N 435.296 1.271 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1677582868 ZTBBKIIPHBPNLJ-MRXNPFEDSA-N 442.582 1.455 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689862675 DWUCLIONWZNAEY-ROUUACIJSA-N 431.562 1.905 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1689948247 UEYOIORVMDAOKY-QFBILLFUSA-N 445.486 1.651 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1690052632 NHLNWBUQNILCHF-UHFFFAOYSA-N 445.570 1.310 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C)on2)CC1 1690152430 KQDMJSQUSLPMDK-UHFFFAOYSA-N 436.520 1.450 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690252554 GDEGPBYIKUIIOI-UWJYYQICSA-N 432.569 1.196 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690326891 GOQPDNVGFZPUIO-UHFFFAOYSA-N 443.943 1.507 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690674298 WCEMISPPGPRTHF-SJLPKXTDSA-N 439.520 1.059 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690677975 GPYCIJBAGJHWQI-IAGOWNOFSA-N 426.525 1.327 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1691435347 LRNZOQZTTFNRCG-GOSISDBHSA-N 433.520 1.735 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccco1)N1CCCCC1 1692541957 CKQCCSWXNUSMGA-QZTJIDSGSA-N 441.536 1.965 30 10 IDEE CC[C@](C)(O)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1693928315 UVPYGRUYKINZAL-YUXAGFNASA-N 432.569 1.656 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1698117973 NAALLDTUFLOJAQ-AOMKIAJQSA-N 426.521 1.988 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2=CCCOC2)CC1 1705645151 MIDAHHZKYCQYAU-QGZVFWFLSA-N 431.537 1.315 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccco2)N(C)C)CC1 1705647820 LWRIYOIJYMAABM-IBGZPJMESA-N 448.531 1.597 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1705647858 NLIFCLRDBPQPCY-IUKKYPGJSA-N 442.564 1.543 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[S@](=O)CC)CC1 1705649686 CZWFYNABUBQFIL-WJOKGBTCSA-N 441.601 1.798 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705650231 NKODWLKULXEQAI-IBGZPJMESA-N 442.608 1.697 30 10 IDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705890154 ACJOHHFRSKSFSV-SFHVURJKSA-N 430.553 1.298 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 1705935409 QJPJPUHYTFPOFY-UHFFFAOYSA-N 435.525 1.311 30 10 IDEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)N(C)C 1706798873 IBJUGPYFPXCDBD-NBYUQASBSA-N 442.589 1.874 30 10 IDEE C[C@H]1COCCN1c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1708259416 SELYRWZPECEPTG-IWKHNONTSA-N 440.479 1.760 30 10 IDEE COCCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1712609777 MPMXTSQGPNZYOD-KRWDZBQOSA-N 439.582 1.753 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722319793 PMBRSOYNZGIRJO-GOSISDBHSA-N 430.553 1.149 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1722358906 NLHSAUKGVWPQSI-OAHLLOKOSA-N 441.504 1.186 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722364017 WEFYGPRLGOJESN-VGSWGCGISA-N 444.557 1.741 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)CC1 1722433815 DYSMSGXMTFHOLG-UHFFFAOYSA-N 442.951 1.603 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)CCOC)CC1 1722439642 JUHKDRQTXBGNBS-HSZRJFAPSA-N 437.548 1.059 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCOC[C@@H]2C)CC1 1722445150 SNAPMXFQJOOTOZ-CMKODMSKSA-N 447.580 1.641 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722460770 LSKRDNOQGMVPKC-KRWDZBQOSA-N 439.545 1.103 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(NC(C)=O)nc2)CC1 1722560020 OIHFTPGEWUMYMT-CQSZACIVSA-N 433.538 1.446 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722705828 IKLRFFWTHXMFQZ-JKSUJKDBSA-N 431.424 1.413 30 10 IDEE CC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cn1 1722802882 AQSTUKATPPLTHH-HXUWFJFHSA-N 426.456 1.244 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723075816 LSDILELGSHKFLX-MOPGFXCFSA-N 429.569 1.859 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1723619676 AAODMYBWELLLDL-GFCCVEGCSA-N 438.414 1.197 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1723626590 BVKBAUOUBALQOC-MJGOQNOKSA-N 435.532 1.694 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1728550874 LKARVUJXAYBWDN-JYJNAYRXSA-N 432.550 1.612 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)C1 1729597336 CBTRJFMKCVDBOG-NZQKXSOJSA-N 440.548 1.801 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1740627177 FEHIYKLZBSPPGO-INIZCTEOSA-N 435.550 1.739 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1740653481 NUXAKRUQTJITIV-OAQYLSRUSA-N 427.512 1.985 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1740661776 JMMOYDPMISTDJF-KRWDZBQOSA-N 430.578 1.801 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1nncn1-c1ccccc1 1740686749 LPLAQZAPZZZXQE-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)CC1 1740695697 BIVSEQXUVLFZKH-IBGZPJMESA-N 449.621 1.675 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1740704787 XRGODOVZUWPFQU-UUOWRZLLSA-N 437.544 1.759 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1740721206 AVGBDGPXRAYAHH-UHFFFAOYSA-N 446.602 1.695 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N1CCSCC1 1740730844 JOLLYBXUFPZUCW-VQIMIIECSA-N 439.607 1.153 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740750156 MOJXVNWSPBGYCE-ULQDDVLXSA-N 445.524 1.667 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1740758968 DNGODKYTEKDQLF-XLIONFOSSA-N 425.537 1.707 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(C(C)=O)CC2)CC1 1740832665 FZMGLCRQHNKVOA-HNNXBMFYSA-N 438.598 1.549 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1)C1CC1 1740910647 HPPLIVZVSTUCIG-IBGZPJMESA-N 438.532 1.899 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1748825610 ATALJHXZTSHLPX-CYBMUJFWSA-N 440.451 1.423 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(=O)NCC)CCC1 1748829413 BJOOEVHDOLOGFS-QHCPKHFHSA-N 427.549 1.698 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1748892614 SUHWDTHYBSEYBW-JKSUJKDBSA-N 447.586 1.855 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1748990444 WTAMIUQNVQFSGW-IRLDBZIGSA-N 438.576 1.849 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(CC)C(C)C)CC1 1749017268 ZKXFRYGCXFMCGL-UHFFFAOYSA-N 437.592 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(N(C)C)CCOCC2)CC1 1749019128 LXVZTSGQGNFUSQ-LJQANCHMSA-N 444.580 1.206 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1749154142 MVAWVQIFAQMHLV-UHFFFAOYSA-N 437.504 1.855 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1749573578 PORXAQVUCLQJHF-NRFANRHFSA-N 443.577 1.895 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnccn1 1749652110 IHMNRVOOMKDCKK-UHFFFAOYSA-N 431.298 1.764 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749669465 HZGVPVZGEOSNAP-INIZCTEOSA-N 427.505 1.919 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1749830088 DLCNYVGINIHVFP-HUUCEWRRSA-N 435.529 1.509 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1750005618 CFFJOTUVQWFAIA-HZPDHXFCSA-N 438.529 1.646 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1750139009 HAPVJONDXRLNMG-BXWFABGCSA-N 441.529 1.269 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1751237351 YCSDDKWLUYBQJB-AWEZNQCLSA-N 435.554 1.322 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1760174576 MBNBBKFOYLIRAV-SFHVURJKSA-N 430.553 1.918 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760187737 FGJMMEXYHDPHQF-MRXNPFEDSA-N 428.543 1.780 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1760194902 SLJGIUBWNOEBQR-HNNXBMFYSA-N 431.518 1.027 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)c2ccccc2)CC1 1760259380 LNPSDRFHMJAMLY-FQEVSTJZSA-N 443.573 1.749 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ncccc2C)CC1 1760271544 BHQBOPLZKFKSBY-UHFFFAOYSA-N 429.528 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760553540 FESNUVVTDZYBPG-IBGZPJMESA-N 436.626 1.361 30 10 IDEE CC[C@@H]1CCCCN1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1763335917 FADUYHIJQXEDIN-YRPNKDGESA-N 432.569 1.995 30 10 IDEE CCN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCOCC1)S(C)(=O)=O 1766867151 CVACYRAQGWVFPM-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE COc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1768951032 AVBXOUNGIVGKJO-CRAIPNDOSA-N 448.549 1.406 30 10 IDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1)C1CC1 1771354516 AHSVXASPEKNWIN-FQEVSTJZSA-N 447.586 1.698 30 10 IDEE CC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1772849840 PYMYJZMVHKOGKJ-XPIZARPCSA-N 426.525 1.667 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)CC1 1849559819 PMDRQTVWEOVADC-UHFFFAOYSA-N 436.578 1.191 30 10 IDEE CN1CCN(c2nc(NC(=O)c3cccc(Br)n3)c(C#N)cc2C#N)CC1 1851778204 KIEOYZXKIMLBKP-UHFFFAOYSA-N 426.278 1.987 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)CC1=O 1856802369 HRJGJSPKSSZKGY-MSOLQXFVSA-N 434.514 1.448 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1858965225 QMCLWDFCUZIKDB-KPKJPENVSA-N 443.437 1.973 30 10 IDEE C=CCNC1=C(c2ccc(F)cc2F)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863655867 GHBIOJSGFYHZQY-UHFFFAOYSA-N 433.436 1.668 30 10 IDEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 1870143020 RUMFNHKJCVWQTO-NSHDSACASA-N 430.380 1.491 30 10 IDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551734 YFSNYFBRYIFCBU-UHFFFAOYSA-N 437.342 1.919 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CC(COc2cccnc2C#N)C1 1891982649 AKDGIFGEMCQSSQ-KRWDZBQOSA-N 445.501 1.249 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@]12CCOC2 2006234334 OMSLMQZJLPPXNY-WFASDCNBSA-N 425.345 1.983 30 10 IDEE C#CCC[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 2009911303 XTIFDXAFTKMNDP-IRXDYDNUSA-N 432.473 1.996 30 10 IDEE Cn1nc(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255625130 NBVIPUPMGSTLSR-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2255665389 FQSOLAAIVNEFAH-CABCVRRESA-N 436.314 1.679 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2255697612 CDPKUVXZMAORJV-HOCLYGCPSA-N 435.330 1.034 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255710573 MOZQZVDEIABACH-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255862078 GHXHMGNBEQDTCK-HNNXBMFYSA-N 435.330 1.680 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 2256601874 UZFVQXHTKDGVEQ-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE C#CC(CO)(CO)NC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2261434353 LECYANOAESOKHO-UHFFFAOYSA-N 445.560 1.409 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267008684 IKMICVXZJRRBCH-GDBMZVCRSA-N 446.357 1.801 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267143512 IWQWWYQIJIFSAZ-SFHVURJKSA-N 439.369 1.255 30 10 IDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267597170 ORZKVEGBJBXDGP-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NCCO)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642978 ADHLLVLYTWRLEA-SWGLQFOASA-N 447.572 1.762 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315602228 OFCAHULMPAXZRB-UHFFFAOYSA-N 427.310 1.925 30 10 IDEE C#Cc1cccc(C(=O)N2CCc3c(c(C(=O)N4CCNC(=O)C4)nn3CCC(C)C)C2)c1 19840859 NYVICPDKMXCXHO-UHFFFAOYSA-N 447.539 1.681 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 64598412 NFSPFBMNJAJOBD-UHFFFAOYSA-N 425.488 1.880 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(F)cc2)[C@@H](C#N)C(=O)N3)CC1 72444710 AMCMJJPBDQBIKZ-CVEARBPZSA-N 439.447 1.912 30 10 IDEE Cn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(c4ncccc4C#N)CC3)nc12 105324644 FIYBUFOYXGESRC-UHFFFAOYSA-N 432.513 1.764 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 253374174 LKBVACDIPRJLBY-SFHVURJKSA-N 427.530 1.893 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCCCNC(=O)CC3)CC2)cc1 257178147 FWDVCOQMBQLLJF-UHFFFAOYSA-N 446.573 1.868 30 10 IDEE COc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 441183686 SUWKOKABCGSUFQ-UHFFFAOYSA-N 446.485 1.860 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 481516995 GFFIRVJQXKGQJY-LBPRGKRZSA-N 446.451 1.285 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 483127740 XPJKSZASDAMOHF-PXNSSMCTSA-N 426.542 1.958 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1F 489664717 KOFIWFWHMSIARL-ZWKOTPCHSA-N 428.489 1.575 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)CN3CCN(Cc4ccccc4)CC3)C2=O)cc1 508137522 YKAKPCGMUBTLRZ-QHCPKHFHSA-N 431.540 1.988 30 10 IDEE N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 512767983 VYFBKAXNUUKWRU-UHFFFAOYSA-N 440.525 1.560 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 512974431 VDJCBUKMWHWRDO-LJQANCHMSA-N 441.509 1.269 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 513787312 WYZUYPZIDDVIOW-UHFFFAOYSA-N 449.554 1.347 30 10 IDEE CCc1c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513810984 KPUUBYLVUQLQDO-IBGZPJMESA-N 446.511 1.217 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCN2CCOCC2)c1=O 514474951 AXSVMLNZBMSKNC-UHFFFAOYSA-N 439.581 1.669 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CC2)o1 548923376 DMKQHHOAKDIXOV-SFHVURJKSA-N 437.500 1.867 30 10 IDEE N#Cc1ncn(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)n1 561339621 YXZHJIRGHVDUNH-UHFFFAOYSA-N 436.497 1.327 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c(F)c1 585722378 YCNQLWCFUVKSAK-UHFFFAOYSA-N 427.455 1.391 30 10 IDEE O=C(CC1CCCC1)NC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 731331098 WCIJUXZXJWIMPC-UHFFFAOYSA-N 432.546 1.413 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CCN1C1CC1 732669680 OGHVIXDJOHERIF-LBPRGKRZSA-N 428.308 1.581 30 10 IDEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N(CCC#N)c1ccc(F)cc1 741341423 BVEMXILSUITVIS-ATQAJOFPSA-N 428.420 1.921 30 10 IDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 742408633 NBMQCUIKFRZYHX-INIZCTEOSA-N 428.514 1.630 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)CC1 746912659 BZYJGEZRLRWLSW-LAMFTWINSA-N 427.461 1.510 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C2CCC(=O)CC2)CC1 751680037 YJWZCLLHTNVRGH-UHFFFAOYSA-N 426.429 1.757 30 10 IDEE CC[C@H](CO)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 754435443 CSVOFPPKXPDCTD-LLWUOSFCSA-N 437.566 1.420 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 758089849 OOFDNEFRTAVCAF-UHFFFAOYSA-N 435.549 1.607 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc(Cl)c1 771540614 GRHOUGBVNIZBPZ-AWEZNQCLSA-N 433.925 1.706 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)n1 788849099 JKVIKLXSHDCRJO-HXUWFJFHSA-N 444.605 1.725 30 10 IDEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cnnn2Cc2ccccc2)cc1 792866975 REZXKFSWDJMLGP-FLIBITNWSA-N 426.454 1.585 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CC3)c2=O)c(C)n1 794610102 YFRRPJBEKRSPOW-HNNXBMFYSA-N 439.537 1.764 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 794762821 QFRHGVAKVILFLT-CMPZQBNXSA-N 449.529 1.234 30 10 IDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)cc1C#N 797384388 NRUWCMOWZGKXBV-OAQYLSRUSA-N 430.461 1.862 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 802583290 SLWMBOSNMWQGFF-KRWDZBQOSA-N 428.493 1.232 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 812180059 SNAYHMHVANYXKH-IAGOWNOFSA-N 446.552 1.974 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N(CC#N)CCOC)CC2=O)cc1 1160823051 LVTYLRUKFKBXOU-INIZCTEOSA-N 436.534 1.069 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1167275689 QAHVWDXMVRKKKP-QFBILLFUSA-N 442.541 1.624 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3cccc(CN4CCSCC4)c3)C[C@H]1CS(=O)(=O)C2 1176432768 QNKZWLDUACZECL-PXNSSMCTSA-N 434.587 1.044 30 10 IDEE N#C[C@@]12CN(CC(=O)NCCOc3ccc(C(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1198084370 HEEURGVHEFCAQG-YOEHRIQHSA-N 431.436 1.071 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1 1213679567 FHOYOLPWEOBXCO-SLFFLAALSA-N 435.546 1.039 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](COC)OC 1286277352 YBQDEYNOKSEXSL-ZBFHGGJFSA-N 434.566 1.666 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN1c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286386231 WYIZVSXEUUBHJE-QZTJIDSGSA-N 445.593 1.431 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N(C)C 1286418474 JOPNUEYTYNXWMY-UHFFFAOYSA-N 431.338 1.987 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1286426424 VKZQHEODYOTIIF-UHFFFAOYSA-N 438.513 1.492 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1286666413 DGONMMJXOBEAOY-UHFFFAOYSA-N 446.577 1.734 30 10 IDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1286696402 CRAKTQSBLBWOTF-UHFFFAOYSA-N 433.534 1.764 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286716364 MBVJUZWQLRQIAZ-SESVDKBCSA-N 446.596 1.711 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1286767804 GSNXKDADQDOXIZ-SSEXGKCCSA-N 435.550 1.946 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1286788352 VFXGOQGQNKYAOL-IAGOWNOFSA-N 448.568 1.825 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286824388 XCYKHIHVCIBWLS-UHFFFAOYSA-N 440.577 1.929 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286829944 HKOVLEGMUCOUDO-INIZCTEOSA-N 446.581 1.552 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1287130594 INXXKURYACXHSY-IBGZPJMESA-N 437.504 1.620 30 10 IDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)COCCO1 1289053380 YXKYSLUKVFBROF-QFIPXVFZSA-N 440.504 1.093 30 10 IDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)cc1F 1289454207 IBZCRYSNOPDZFS-YOEHRIQHSA-N 427.484 1.845 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@H]1C 1296164730 BLCMVXOARUILQG-QGZVFWFLSA-N 425.537 1.784 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1OC 1297679902 HQVKUVVJLZYHOC-OALUTQOASA-N 447.561 1.739 30 10 IDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1Nc1ccn(C)n1 1298104390 BOPGWTSRIIVDOP-UHFFFAOYSA-N 430.494 1.097 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1-c1ccccc1 1300471787 OTMXIJCMWJWNHX-UHFFFAOYSA-N 432.513 1.968 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300506812 ZMXVFTRFCNNCOD-RBUKOAKNSA-N 435.594 1.632 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N2CCOCC2)CC1 1300719743 OJCXGAIKEYOGKV-SFHVURJKSA-N 437.548 1.027 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300732384 AYHONBDMDMHKEY-UONOGXRCSA-N 428.474 1.406 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301152164 VOUKBMXACFHJOT-IAGOWNOFSA-N 439.582 1.124 30 10 IDEE C=CCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301474037 RKXOVMMQDRURNU-OAQYLSRUSA-N 434.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301509715 MQYFAURKMQRLFQ-HSZRJFAPSA-N 438.532 1.635 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)C1 1301535129 IAONPXQPLSVRGP-LJQANCHMSA-N 433.553 1.881 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1CCC2(CCOCC2)CO1 1303504268 FKPOUROOYLCNBH-QGZVFWFLSA-N 449.573 1.987 30 10 IDEE CN1CCN(c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)c3cnccc23)CC1 1305733372 OPLVDVIPTHBXCA-FCQUAONHSA-N 434.500 1.842 30 10 IDEE CN(C)CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1314670398 DWDNPEBYDHLNOD-IBGZPJMESA-N 434.504 1.453 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314877967 QXUFKZHAKFFSAQ-MXLIYFDZSA-N 446.552 1.950 30 10 IDEE COc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1315495912 BIYJJFFBZUDGGF-CRAIPNDOSA-N 448.549 1.406 30 10 IDEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)n1 1315990511 XQARLSMOJHLLIZ-MRXNPFEDSA-N 436.476 1.304 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1316145117 ZLAFRZQZSDGJJZ-MRXNPFEDSA-N 426.521 1.831 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1316257612 PDLOYAZBNPTHCN-UHFFFAOYSA-N 428.493 1.758 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CNC(=O)c3ccccc32)cc1 1355744173 IZSAASPSGUGMQF-LNUHTHKGSA-N 426.498 1.965 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1358889545 DFFMUFCGTBJALB-PKOBYXMFSA-N 443.573 1.523 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC=C)C1 1358913007 CXDASVYYSUGPRZ-ROUUACIJSA-N 437.566 1.196 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCOCC2)CC1 1359036664 DOFNJSQKYQWKFZ-UHFFFAOYSA-N 431.487 1.444 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359038848 MWXDLXKFWTXJAF-LEWJYISDSA-N 441.532 1.161 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1359137127 GGRXALNVEVMMQM-GCJKJVERSA-N 435.569 1.968 30 10 IDEE CC(C)NC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1360289983 AVUFJADIXPFBFK-OAQYLSRUSA-N 438.467 1.159 30 10 IDEE CCNC(=O)CN1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1440778127 DDWHNNIWZDZGBH-UHFFFAOYSA-N 448.365 1.427 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CN([C@H]3CCOC3)C2)CC1 1443659679 AEMVIPGYZQLHOW-OALUTQOASA-N 433.350 1.879 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3ccc(Br)cc3=O)C2=O)cc1 1448841727 HYGPASXRVGIMCA-MRXNPFEDSA-N 429.274 1.400 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1 1452080899 NOWMKBVFLDWLFV-NRFANRHFSA-N 439.537 1.997 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)Nc3ccc(C#N)cc3OC)CC2)cc1 1466085098 CFOKKZAEMPTUOF-UHFFFAOYSA-N 429.502 1.829 30 10 IDEE C#CCN(CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C(=O)OC(C)(C)C 1467988841 IJOOHFNFSBRDAM-INIZCTEOSA-N 425.526 1.999 30 10 IDEE C#CCC1(O)CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 1471521203 FLOHGPAIPDWQEY-UHFFFAOYSA-N 432.546 1.133 30 10 IDEE CNC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503814496 FJFFVNSCSMMBGF-UHFFFAOYSA-N 431.504 1.065 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1507546700 HSEGKKIODDMEEF-NRFANRHFSA-N 445.545 1.007 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507627794 KVJBCYWCNUSCGV-SJLPKXTDSA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507637423 KDSFIEOTBOYJBX-IBGZPJMESA-N 431.562 1.556 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507638372 QAGJFKHJICBEFS-HZPDHXFCSA-N 435.575 1.824 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1507724962 NABHIHZNWCYXCI-UHFFFAOYSA-N 430.438 1.896 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507782094 SMGPCTORNYHXIE-MLGOLLRUSA-N 444.355 1.153 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507983606 QWCSHNOAKLHUIY-OKZBNKHCSA-N 441.598 1.684 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1508076561 VAFOBVSOMSPLDM-ZDUSSCGKSA-N 438.579 1.205 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C(N)=O)C1 1508142629 FFSPYIUXEZQFKQ-QGZVFWFLSA-N 442.545 1.194 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1508778290 GYEGAFVCTHSEJZ-KRWDZBQOSA-N 434.508 1.130 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@@H]1CCOC1 1510152471 BWDZZFVYPJIDMH-JKSUJKDBSA-N 432.550 1.823 30 10 IDEE CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1515334723 DWHNLKQJJWZJMA-ZZEZOPTASA-N 426.477 1.945 30 10 IDEE N#C[C@]1(C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)CCCOC1 1531137594 CUTGCXPVSYMSCC-GOSISDBHSA-N 428.461 1.620 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1539013272 IIPDWOKNYXWJEQ-VXGBXAGGSA-N 426.436 1.555 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1539211402 LHMBDPQFBPJSME-HUUCEWRRSA-N 437.472 1.391 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1540037333 ILJCFBYAJKFEEU-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1540864435 ZXPKMIYBSRTJMT-ROUUACIJSA-N 426.521 1.073 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C 1540869749 VOHWMPRNTKXNKD-SJCJKPOMSA-N 430.459 1.933 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1540872924 GAGJEPYZNMMARF-UHFFFAOYSA-N 430.578 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCSC1 1540897455 JOKOVQLECZZTDS-CQSZACIVSA-N 436.563 1.468 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540903826 IMKCMLORWWRIIN-UHFFFAOYSA-N 440.614 1.708 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1544567043 CQBJUPZILUMEIE-HLAUDOPJSA-N 429.525 1.060 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1554494364 RQYVSLNAZYOUNC-INIZCTEOSA-N 431.447 1.702 30 10 IDEE COC[C@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1555331672 GGTFUXFMVLAMGP-GJZGRUSLSA-N 436.538 1.654 30 10 IDEE COc1cc(/C=C/C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(Br)c1O 1558805880 XLTZNZWEIHFIBZ-NSCUHMNNSA-N 447.245 1.394 30 10 IDEE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1558806408 OFVSPGPMSYDTRS-UHFFFAOYSA-N 431.452 1.667 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CCCCC1 1558806444 PIMUHRLMUMIHGS-MRXNPFEDSA-N 431.493 1.677 30 10 IDEE Cn1c(N2CC3(CCOCC3)c3ccc(Br)cc32)c(C#N)c(=O)n(C)c1=O 1559252194 WQECQXKECNISFU-UHFFFAOYSA-N 431.290 1.918 30 10 IDEE N#Cc1cccc(OC2CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)c1 1565331935 YGJJEJJIGUAUFN-UHFFFAOYSA-N 449.511 1.544 30 10 IDEE C#CCN(C(=O)CN(C)S(=O)(=O)N(C)C)[C@H]1CCOc2ccc(Br)cc21 1565764506 PHLGTUULSJNUPA-HNNXBMFYSA-N 444.351 1.473 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1587765346 FGNUTJSICAWEAM-XLIONFOSSA-N 439.582 1.420 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1 1587861275 JAVQLLULGYLCNZ-LJQANCHMSA-N 447.561 1.540 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588040969 SZXPIOCHXPKVKW-UXHICEINSA-N 437.525 1.789 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1588074218 LASGHWKRLOXAGS-JOCHJYFZSA-N 448.571 1.494 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1594625559 GYAJURNWYWLTFM-MRXNPFEDSA-N 425.555 1.815 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1595799090 XDTGPZJXPUGZII-SJORKVTESA-N 435.554 1.554 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595812421 SNERTUFBZTUVGB-LAUBAEHRSA-N 447.561 1.249 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1595866488 MQPPDNNCJYAEDG-UHFFFAOYSA-N 430.582 1.936 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1596752565 XPZDDNDPXWLWQH-FQEVSTJZSA-N 448.531 1.432 30 10 IDEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598568150 QNQJJMSORKDPLO-XAUMDUMWSA-N 436.509 1.190 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)n1 1611648977 PUYPQDIJYDOWBI-UHFFFAOYSA-N 437.861 1.656 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)cc1C 1612108956 XUBWUVZKWRAXFL-GOSISDBHSA-N 428.493 1.275 30 10 IDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1612997238 IBWHQARKYDWIFH-QFBILLFUSA-N 428.562 1.924 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613098548 DQMQOENSBLMPSW-FPTDNZKUSA-N 441.536 1.748 30 10 IDEE CCO[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1616182022 SDWWTZGZSWMADR-FQELHTAISA-N 431.493 1.683 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1617461882 PYNLIDIQNFVGNF-MRXNPFEDSA-N 435.525 1.930 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(I)cc2NC)CC1 1617690053 VODFFGIFXSGZST-UHFFFAOYSA-N 425.270 1.935 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1618737193 BPSRJTWUJKQURP-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1622469439 COSSZFUATOMGPL-UHFFFAOYSA-N 437.518 1.753 30 10 IDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1)c1ccc(Br)cc1 1625078186 RNTYGUIFPBSUAP-OAHLLOKOSA-N 440.319 1.806 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 1627831255 OPRULAUWSAXUKU-HOLBHBGLSA-N 428.551 1.596 30 10 IDEE C#C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 1629889387 RQSZHKPVEMIQAF-NXHRZFHOSA-N 426.922 1.009 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 1631530599 RZNXZFDFOTZWAW-LJQANCHMSA-N 428.533 1.705 30 10 IDEE CN(CCc1ccccn1)C(=O)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1632327894 ONNUZCRSNJNSSO-UHFFFAOYSA-N 428.533 1.849 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[S@@](=O)C[C@H]3c3cnn(C)c3)n[nH]2)c1C 1632819039 IYUXXHWWZJMMTC-YVGXBJCXSA-N 427.534 1.755 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1635877018 BNLBYXUBKMKQLU-UHFFFAOYSA-N 449.330 1.872 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCC#C[C@H]3CCCCO3)CC2)c1 1637186277 PZUAZRVRVRJTPH-HXUWFJFHSA-N 432.542 1.979 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)c1 1640123514 TWXKLWAORCENGO-OAQYLSRUSA-N 442.537 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCn1cc(CO)nn1 1642103294 UGEXZVBGIIVEGA-LJQANCHMSA-N 440.504 1.683 30 10 IDEE C#CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1644947581 GLPFXYDJSMKGQX-GOSISDBHSA-N 439.965 1.087 30 10 IDEE Cc1ccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1C 1645267980 VWDUCGITJGVOHB-JXFKEZNVSA-N 430.555 1.978 30 10 IDEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OC 1645503936 ZEHULTBEGDSGBK-QGZVFWFLSA-N 440.518 1.344 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)s1 1645855385 JREJEHSTDTZKDH-GXTWGEPZSA-N 448.526 1.484 30 10 IDEE C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653072468 CKQVUNJPKIMYLG-PSVSLLHZSA-N 430.313 1.508 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1679625003 VDSSTKXNFLYFOO-UHFFFAOYSA-N 437.337 1.501 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)C2)c(=O)nc1O 1686325410 IPMMAIKJDWXPEK-SWLSCSKDSA-N 448.252 1.845 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689881237 KNWJRGVLZJCFHK-GOSISDBHSA-N 440.533 1.348 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOCC1 1690254572 CYZBUTCLQKLNEU-BURNTYAHSA-N 449.596 1.752 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690311972 YDQUDKBAOLHGFS-ICSRJNTNSA-N 446.596 1.902 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)S1 1693782884 FOWACSPEESEYLG-MDOVXXIYSA-N 447.586 1.697 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705558719 GQLNUDOHANAQTI-QGZVFWFLSA-N 445.545 1.100 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1705567148 VCHQEMMBVJGWJO-LAUBAEHRSA-N 429.546 1.844 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1C 1705623802 FFEAIGXNVJVKJS-PKOBYXMFSA-N 436.520 1.679 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1705647764 JZWIJBFCKAHWRH-TZIWHRDSSA-N 442.608 1.868 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705896699 VNOXXCUPRKSEFA-LJQANCHMSA-N 437.504 1.358 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705937344 QWFUBYKQCDHGSK-UHFFFAOYSA-N 445.593 1.565 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705940249 YYEBWQUOYPBZDD-INIZCTEOSA-N 432.594 1.928 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)CCOC1 1706068235 GWSVDAYMIAKHEM-BEFAXECRSA-N 425.555 1.492 30 10 IDEE CC(C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1706072654 GITHDGVPXJJPJJ-AEFFLSMTSA-N 443.552 1.958 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)C1=O 1711270511 KXPCNZDKSRQJKS-QHCPKHFHSA-N 435.532 1.777 30 10 IDEE COCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712617589 KLNXVZPYGVVNSJ-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1712647580 DCYQZGOINJKGOJ-ZENOOKHLSA-N 435.435 1.507 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)SC)CC1 1722443736 MYVAPNCJUWGCQZ-KKSFZXQISA-N 435.594 1.648 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 1722701053 DZBAOTFQIPDGLP-UHFFFAOYSA-N 425.537 1.217 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1Cc1ccc(C#N)o1 1723326902 QSQPLILYYYCLDY-UHFFFAOYSA-N 427.509 1.163 30 10 IDEE CC(C)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1723932761 CIMKDSUIXYAWDU-FRQCXROJSA-N 441.577 1.451 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1724010681 SJJYTKGRENABOS-HUUCEWRRSA-N 434.566 1.225 30 10 IDEE CCS(=O)(=O)NCCn1c(N2CCO[C@H](c3cccc(C#N)c3)C2)nnc1C(C)(C)C 1729227026 FKESEHUOYYIJAL-SFHVURJKSA-N 446.577 1.964 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1740686285 VHBVDLGQEBEITA-QFIPXVFZSA-N 439.560 1.749 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OC)c2OC)CC1 1740688845 KLTJYYQVUSAYRZ-UHFFFAOYSA-N 426.521 1.237 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1740700058 DQIYPAATLVVZIB-JOCHJYFZSA-N 438.576 1.185 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCC(C)CC2)CC1 1740703882 COUFLCDTBOHOSA-UHFFFAOYSA-N 437.592 1.981 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740720322 VABIUFJDPOAKMN-SFHVURJKSA-N 446.621 1.456 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740761861 ZHQCQZIWPJOTEI-LNLFQRSKSA-N 425.599 1.928 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1740786732 MWCCVSGYKOCNEN-UHFFFAOYSA-N 429.481 1.407 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1740843886 SBWMRBQXZVXHHR-OAHLLOKOSA-N 440.614 1.938 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCOC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740965703 RQIGXGHZZUHRRE-YESZJQIVSA-N 448.568 1.824 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(=O)OC(C)(C)C 1748790522 IPQRNEGLEVBOFX-HNNXBMFYSA-N 425.555 1.507 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)CC1 1748990526 YDSCXJRGVNUIEG-UHFFFAOYSA-N 438.580 1.368 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749037138 BFIYNHOZTZEVDG-IRXDYDNUSA-N 441.623 1.652 30 10 IDEE C=C(C)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1749207919 UWRYMRPRVREBLS-QFIPXVFZSA-N 433.553 1.582 30 10 IDEE C=C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749304792 HAGWMKLIBATDRQ-UHFFFAOYSA-N 445.527 1.684 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCN(C)C(C)(C)C1 1750117922 JAGNGSASDPAIGS-QYZOEREBSA-N 433.601 1.624 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760129563 RIYUDXKUOMNIFS-UHFFFAOYSA-N 440.552 1.587 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189193 GMLOJXCMWLRMEC-DFQSSKMNSA-N 443.573 1.706 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)=O)CC1 1760447825 RZTFOYUEQBFUIQ-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)=O)C1 1760503521 KZKGGBMLIAQRSI-QGZVFWFLSA-N 444.536 1.903 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760520629 UZFBDCVPZACYOS-PXNSSMCTSA-N 442.539 1.933 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760558209 JDDWUTWGWRHIMU-INIZCTEOSA-N 425.555 1.007 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760680720 PPTUWUIMJGOLHJ-KRWDZBQOSA-N 441.511 1.646 30 10 IDEE CCC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1763854171 OLCSCOADXBBIAT-MRXNPFEDSA-N 427.509 1.766 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766377601 JHBITFTZYXOMIN-KRWDZBQOSA-N 425.493 1.533 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1766742401 UYRQEOZNWYULGI-UVDDSOTQSA-N 442.589 1.886 30 10 IDEE COc1cc(F)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1768349414 FCBODQDTJZZZNC-SGTLLEGYSA-N 440.476 1.526 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1768456156 FLAFTVYXENVOBL-IBGZPJMESA-N 437.548 1.454 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1769284273 FURSCZQZCQNTEH-MRXNPFEDSA-N 430.534 1.214 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1769322244 CGHQBVPNLWKTLD-UHFFFAOYSA-N 447.503 1.078 30 10 IDEE COCC(=NOC[C@@H]1CCCO1)NS(=O)(=O)c1cc(OC)ccc1Br 1853480345 QPRCJQFIMLDBIM-LBPRGKRZSA-N 437.312 1.892 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)CC2=O)cc1 1853939655 FZFSDTBUSVDLCC-UHFFFAOYSA-N 429.473 1.831 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1=O 1856791711 HMYUXADZGYLXHQ-GOEBONIOSA-N 428.894 1.363 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)CCOc1ccccc1 1857139144 SVDCMSLUBVBSSY-MRXNPFEDSA-N 427.482 1.640 30 10 IDEE C[C@H]1CCN(C[C@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCS1(=O)=O 1857339412 LRRSLQCKMMEYKD-FXAWDEMLSA-N 431.558 1.765 30 10 IDEE COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862564364 YVWPDACFKZBPQO-IBGZPJMESA-N 437.452 1.770 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(F)c1 1865728199 CKHDRHWAYIZTNO-OAHLLOKOSA-N 426.448 1.118 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCN(C)C)c(C)cc2=O)nc1C 1870088580 YKXFBSVPSPXYKC-UHFFFAOYSA-N 434.518 1.844 30 10 IDEE COc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 1870151209 PFBAPZYHGZRMKI-AWEZNQCLSA-N 446.423 1.837 30 10 IDEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870478163 QWWFHLLHLFOIHZ-UHFFFAOYSA-N 427.505 1.477 30 10 IDEE CCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1OCC 1874432430 FPSKHLLQIZVDRA-LSHDLFTRSA-N 434.522 1.561 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)c(O)c1 1874433086 CNWHOQJYTRZFQP-IFRROFPPSA-N 447.502 1.395 30 10 IDEE CC(C)(C#CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)NC(=O)OC(C)(C)C 1993921760 UANZLCDMAALOMP-GJZGRUSLSA-N 425.526 1.637 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065456645 KJRPSHXXGMDQHE-PBHICJAKSA-N 434.342 1.876 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124519348 ITDCLNYUZWJJDA-LSDHHAIUSA-N 448.329 1.596 30 10 IDEE C#CCNC(=O)CCNC(=O)c1cc(Br)ccc1I 2132086891 MCKJVSAJFRKEIT-UHFFFAOYSA-N 435.059 1.923 30 10 IDEE CCOC1(C#N)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164487967 RQZAVAOFMSOMNO-IBGZPJMESA-N 437.493 1.735 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)COC1 2247917371 BZZLVWXFWONMAU-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404001 HVQJYSSIIVKZLU-GDNZZTSVSA-N 436.343 1.311 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255541432 BPOWFOQSHOJHDY-OKILXGFUSA-N 432.330 1.553 30 10 IDEE Cc1c(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630804 OVNCKVDTCSOABY-UHFFFAOYSA-N 434.346 1.767 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@H]3COCCN3Cc3ccccc3)c2)OC1(C)C 2255854269 ABFXOBZZZBTRBR-IBGZPJMESA-N 425.338 1.945 30 10 IDEE C[C@H]1CCN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267008876 INHKMVPCLPLIEX-WCQYABFASA-N 444.263 1.248 30 10 IDEE Cn1cc(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)nc1B1OC(C)(C)C(C)(C)O1 2267495062 XIYHUUACWDDJKZ-RCDICMHDSA-N 446.357 1.849 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2267523356 AEVJTSCANJQACZ-LSDHHAIUSA-N 446.357 1.862 30 10 IDEE Cc1cnc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267578751 YJTQVMGWQGRTLT-OAHLLOKOSA-N 449.357 1.647 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269045209 INSCNGKOCQBXSN-IBGZPJMESA-N 439.321 1.696 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)n1 2269069006 SUUGLRIFQSJAOC-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 2269708478 HKKGRRLGGZKKAI-IBGZPJMESA-N 441.259 1.972 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2315533741 ZHMMQXGVTGMXKN-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE Cn1nc(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2334270759 PPSLSIDWMXXPOY-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE COc1nc(N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786343 KDERMZMSRBYBBR-LSDHHAIUSA-N 449.357 1.854 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](CC(N)=O)C1 2343298908 AYSBFOCXTPYAGS-INIZCTEOSA-N 446.357 1.682 30 10 IDEE COc1cc(OC)nc(Oc2cccc(Cl)c2C(=O)NS(=O)(=O)CCC#N)n1 247898213 VNGNADQFQIREOH-UHFFFAOYSA-N 426.838 1.913 30 10 IDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254481872 QKSFSFXEPGTZJU-WFASDCNBSA-N 442.515 1.560 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 436418564 ABGKZNNCJWFFFQ-CQSZACIVSA-N 426.498 1.641 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)ccc2OCCOC)C1=O 479714172 UNCFAGCUHRSBHR-UHFFFAOYSA-N 440.250 1.390 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 482564312 VRXNIYPAUHQVLJ-LIRRHRJNSA-N 444.488 1.281 30 10 IDEE N#Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)ccc1Cl 498558538 FSZANPFDWKYNNT-UHFFFAOYSA-N 433.921 1.624 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN([C@H](C)C(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506641918 IGHLWDYFUCQGNI-NQIIRXRSSA-N 449.559 1.740 30 10 IDEE CS(=O)(=O)c1cccc(OCCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 524141137 FLCOXXPWKIYJTQ-UHFFFAOYSA-N 449.554 1.347 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC2CC2)C1 549685132 CIMHYTVEFOEBDO-ZWKOTPCHSA-N 439.582 1.583 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 568798850 MDRKTXOOGQCEMX-UHFFFAOYSA-N 447.561 1.125 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CCOCC 611917488 XKZBLEKFYMJPMI-UHFFFAOYSA-N 436.537 1.524 30 10 IDEE C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 670220123 TUUCBNWEFIVELZ-UHFFFAOYSA-N 438.576 1.620 30 10 IDEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)cc1F 727416367 MNGCVKYAGCJYMP-UHFFFAOYSA-N 439.468 1.301 30 10 IDEE Cn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn3ccccc23)c1=O 729669859 GNCUPERPANZMOA-UHFFFAOYSA-N 430.445 1.209 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465519 HAMJDRNQTUWZSF-YWMAMYRUSA-N 435.525 1.848 30 10 IDEE CCN1C(=O)c2ccc(C(=O)O[C@H](C(=O)OC)c3ccc(C#N)cc3)cc2S1(=O)=O 740224529 ALKGHLDBZMAJBR-KRWDZBQOSA-N 428.422 1.794 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 748065290 LCAPBMKLBUEGKK-INIZCTEOSA-N 426.542 1.311 30 10 IDEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc3c(c2)CCCN3C)c1=O 748095989 MMPPWVRSWDXCIO-UHFFFAOYSA-N 437.565 1.183 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2Cc2ccn(C)n2)cn1 765547072 IZSOXQVSDKUAOE-HNNXBMFYSA-N 439.505 1.587 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nnnn1C(C)(C)C 766174276 UXCCZEKYCGAGEX-CQSZACIVSA-N 434.522 1.769 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)C1=O 767533142 VFAGPKOKAIGJCN-SFHVURJKSA-N 427.527 1.249 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C 767880636 NZSOKUJKVBMVNV-UHFFFAOYSA-N 440.550 1.320 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(CC(C)C)s2)c1=O 772897616 JVVJJJCDEDUTLI-UHFFFAOYSA-N 434.587 1.240 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772904730 PBOXYLSRILZTDQ-UHFFFAOYSA-N 448.614 1.629 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774055134 XKHJRPGQSGIYSD-MRXNPFEDSA-N 425.532 1.029 30 10 IDEE C[C@H](CC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 777851605 QRZBKFAIUBVYRV-CQSZACIVSA-N 442.545 1.453 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)n1 789054253 YRBWMCNHRLIGMB-GOSISDBHSA-N 441.532 1.970 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 804716731 BBUNLKBFCSCTNB-GOSISDBHSA-N 430.523 1.217 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2cnn(C)n2)C1=O 807932050 OCFQUEHVOCNWGD-INIZCTEOSA-N 449.968 1.668 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(CCCC)cc3)C2)CC1 914445568 XXIVRCJIUAKTSZ-FQEVSTJZSA-N 426.561 1.829 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2nnc(C)c(C)c2C#N)CC1 917083166 KIODNFMMQYUFIL-UHFFFAOYSA-N 449.558 1.188 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1117651397 FMUBGAJXBPRWPN-CVEARBPZSA-N 431.566 1.678 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)n1 1128569483 ARYSBDNGCXDUFH-NRFANRHFSA-N 440.500 1.529 30 10 IDEE C[C@H](CC(=O)N1CCN(c2ccsc2C#N)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1147254568 GXXQIGZABGUAHO-CQSZACIVSA-N 443.554 1.786 30 10 IDEE C[C@H](CC(=O)NCc1nnc2ccc(Cl)cn12)/N=C1/NS(=O)(=O)c2ccccc21 1148320914 KXEBKGIILUWENT-LLVKDONJSA-N 432.893 1.516 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCO[C@](C)(C#N)C1 1176578409 NTOAGFYLAJXGNR-HXUWFJFHSA-N 436.534 1.423 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(S(=O)(=O)C4CCCC4)ccc3F)C[C@H]1CS(=O)(=O)C2 1179653025 UFHZCZLWWZYJDF-ORAYPTAESA-N 440.518 1.552 30 10 IDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 1186548235 DBTMPRJMKJOPHI-UHFFFAOYSA-N 434.440 1.424 30 10 IDEE C=CCN(C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)[C@@H]1CCS(=O)(=O)C1 1208549671 DFMRGUVNWYUDPK-LLVKDONJSA-N 444.307 1.987 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NCC2(C#N)CCOCC2)s1 1226924840 DOQCRTQMDAARCK-UHFFFAOYSA-N 428.580 1.941 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1286349770 NTRGGUCFVWPHCP-YLJYHZDGSA-N 437.566 1.031 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1COCCO1 1286461212 PKAQORDMFKRSIG-LJQANCHMSA-N 427.505 1.649 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1 1286462888 ZNDPRJKJXHRLEJ-UHFFFAOYSA-N 428.537 1.968 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCC2)CC1 1286491356 OGDUNTVXXHDSII-UHFFFAOYSA-N 425.508 1.889 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286786340 RAYKZQAAKUJPJK-ZWKOTPCHSA-N 440.552 1.717 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286791171 OIODOIQOGBORET-SFHVURJKSA-N 445.612 1.302 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCC(OC)CC2)C1 1286807931 HXFCNGMMWBGCHX-OALUTQOASA-N 446.596 1.900 30 10 IDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1289237628 CFAFKSLEUVHPGR-GFCCVEGCSA-N 431.547 1.894 30 10 IDEE CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293867404 BKKXFSKFMOMVPG-MXLIYFDZSA-N 443.552 1.913 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CNC(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296605650 IIPCHPZRAQSDOV-JOCHJYFZSA-N 442.520 1.796 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1COCCO1 1300299287 NLSILFQODOFWJE-CVEARBPZSA-N 432.550 1.502 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1300404218 TVBKCEYMNIKVQV-UHFFFAOYSA-N 445.574 1.962 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C(C)C)N1CCOCC1 1300455431 JCCKEXNBYCTNFA-HXUWFJFHSA-N 449.559 1.618 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300569814 BOJSDDDVISXXIV-UHFFFAOYSA-N 433.516 1.991 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1300578345 BQWIJRWVZRBMOU-UHFFFAOYSA-N 445.527 1.570 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1300603379 PYTLUNXXJWYTRO-FCHUYYIVSA-N 449.621 1.598 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN(C)C(=O)OC(C)(C)C 1300650697 VZLWRIFVZPHDPS-UHFFFAOYSA-N 448.568 1.857 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)OC 1300657847 SOVDGTCWAIRMAV-OAHLLOKOSA-N 434.566 1.668 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCS(=O)(=O)CC)CC1 1300706032 HCFIJWWRHVTDDS-UHFFFAOYSA-N 445.589 1.262 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301506752 RFDLGMOAVGYTBV-HDICACEKSA-N 427.553 1.112 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301578408 AAOXTNQCLVUMKJ-QGZVFWFLSA-N 428.522 1.411 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 1312354188 UUWYVJZDVZIKJH-OAHLLOKOSA-N 429.564 1.530 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1314520193 AMKBPAXNQQAIAX-QRWLVFNGSA-N 433.534 1.228 30 10 IDEE COCCOCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1316255704 ANVURTAWFVNQOZ-KRWDZBQOSA-N 429.477 1.498 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCC(=O)NC2CC2)c1 1316530339 HRLXZASGQGLJLM-UHFFFAOYSA-N 428.518 1.110 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1325205155 IVRSYLGILDXWAY-INIZCTEOSA-N 446.577 1.829 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cnn1CCC#N 1355790543 LOGMSBZCNGEVTE-UHFFFAOYSA-N 427.490 1.128 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358892737 GCBGHINKEUZPRC-YSIASYRMSA-N 442.589 1.926 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1358948686 IDRZMBQSAQFVAG-LSDHHAIUSA-N 425.555 1.553 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358954947 BDELBECNQSYWFR-INIZCTEOSA-N 448.549 1.168 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCC(F)F)CC1 1359028064 GESLQPIPPBTKDG-UHFFFAOYSA-N 447.490 1.259 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(N(C)C)CCOCC2)CC1 1359038063 JDAOOGCRBJAPAB-UHFFFAOYSA-N 436.604 1.929 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359104940 HSMRKCOZSGEALS-FPOVZHCZSA-N 447.580 1.871 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1359299264 AKABGHZXYBWCCY-GOSISDBHSA-N 448.568 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)[C@H](C)C1 1359332009 MLIIQTQLUSCZOP-MSOLQXFVSA-N 441.598 1.277 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1359336521 SIQJDAPVIFTHQK-UHFFFAOYSA-N 429.550 1.950 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1360475714 CVYQHPDHPZVSCB-RHSMWYFYSA-N 425.493 1.493 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1360793477 FIPBRCRGAARNSR-DYESRHJHSA-N 442.545 1.486 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(C2(C)OCCO2)cc1 1454614732 DWWIMFDPVIOHKC-OAHLLOKOSA-N 429.498 1.761 30 10 IDEE C[C@]1(C(F)F)CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 1460480207 OYCVMDAUCSSHLU-HXUWFJFHSA-N 435.431 1.811 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1cc(C#N)ccc1O 1466536780 IOUOCJYNRJWHCQ-JJRVBVJISA-N 435.502 1.873 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)CC1 1505136338 HMRBTBFHJDJAAE-UHFFFAOYSA-N 430.534 1.203 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1507536564 CRPLZCNWNKQNTL-JKSUJKDBSA-N 431.566 1.199 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507634478 KRZIKNCOBQFCJU-KBAYOESNSA-N 434.587 1.982 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)CC)C1 1508128298 XGTOUJHJQYSJMG-FGTMMUONSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508132044 ULFGFCDKFGTWKH-DLBZAZTESA-N 439.582 1.220 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508138080 VYJHMWCWAKQOSX-AWEZNQCLSA-N 442.538 1.308 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1508138233 YTRWQKALZLILEW-HUUCEWRRSA-N 441.579 1.199 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1508147914 NHUJCFKPGJQCFO-UHFFFAOYSA-N 443.533 1.923 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1508152794 REIZQAGFMRSYGS-UONOGXRCSA-N 431.584 1.197 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1508154571 BNNALLLFRFNEIA-INIZCTEOSA-N 444.609 1.387 30 10 IDEE CC(C)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1508952838 MQNBAZUHWBPCHY-XOMICKMZSA-N 438.536 1.730 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C1CC1 1511974467 DMQOCFIGMKWBFE-SJORKVTESA-N 437.548 1.878 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cnn(-c2ccc(Br)cc2)n1 1525465849 KSYJRWNZRRXBTO-UHFFFAOYSA-N 443.265 1.713 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(F)c(C#N)c3)CC2)cc1 1527891281 IIZTZHQMBYQSMW-UHFFFAOYSA-N 446.504 1.588 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(C[C@@H]3CCCO3)c3ccnnc3)C2=O)cc1 1530976039 QDLMGSXBWCIXAG-OALUTQOASA-N 434.456 1.765 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCN(C)C 1539016383 UCIBQJKUIJWPOQ-HKUYNNGSSA-N 445.589 1.627 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)c1 1539284476 OWHMWCLZLOQHQT-GMAHTHKFSA-N 449.555 1.960 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1539368651 ALIQXLHGGGBJSP-FQEVSTJZSA-N 438.557 1.933 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(CC)CC)CC1 1539431518 UXDHQFKHHGQBLR-OFNKIYASSA-N 432.613 1.804 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC(=O)N[C@@H](C)CC)CC1 1539476477 XVZOJZKPVIJMJR-KRWDZBQOSA-N 439.564 1.554 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539484177 FVVLEOPNBMTWII-NRFANRHFSA-N 442.608 1.553 30 10 IDEE C#CCSCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1539531802 ZXYWNTLRJOFZQL-HXUWFJFHSA-N 431.566 1.605 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCOCC1 1539538062 BDHOZLLEDACPCS-QFBILLFUSA-N 439.582 1.324 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1539557566 XEROLQRHEWBCHD-LVCYWYKZSA-N 433.578 1.959 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539736029 RRRYTEMSPYJOFT-INIZCTEOSA-N 437.508 1.180 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539962818 DIYILGOIGNVXFU-MSOLQXFVSA-N 429.569 1.328 30 10 IDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1540027223 SPBHLCCLQRHPKV-UHFFFAOYSA-N 430.528 1.887 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3CCN(c4ncccn4)CC3)n[nH]2)c1C 1540699515 FGLKNCNUVGSBGT-UHFFFAOYSA-N 449.563 1.808 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccs2)CC1 1540861899 KVLCCUPTEGEXIH-UHFFFAOYSA-N 431.566 1.102 30 10 IDEE CC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1545234611 MGYOLRSOMXOTRU-QFIPXVFZSA-N 438.536 1.155 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H]1C 1547643593 YOFALARYIKGRFL-SJORKVTESA-N 445.593 1.675 30 10 IDEE COc1ccc(CCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1554898469 CVOXXDUXRRRMGB-UHFFFAOYSA-N 441.513 1.820 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1555474791 UJGMWNQFBMAQDH-QGZVFWFLSA-N 426.477 1.796 30 10 IDEE CSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555930299 QLEONWMZKVBVML-UHFFFAOYSA-N 428.566 1.763 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1COC(=O)N(CC)CC)c1cc[nH]n1 1568707567 KQSAZNQYVORRCM-HNNXBMFYSA-N 437.497 1.553 30 10 IDEE COCCNC(=O)Cn1cc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cn1 1587180522 PUYXTDYVNBBVEF-UHFFFAOYSA-N 442.325 1.506 30 10 IDEE C#CC[C@H](COC)NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1587392955 XOORMXVQQPEHJE-MRXNPFEDSA-N 430.530 1.311 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1587878597 BNPBHLYAEGHOSW-IBGZPJMESA-N 438.580 1.342 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588053068 AREGZSNKKGNZHV-KSZLIROESA-N 449.577 1.205 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588054950 QKQYCXIVFLFIIZ-IRXDYDNUSA-N 437.566 1.061 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C(C)C 1588628883 PPZFESLJTMCULP-LJQANCHMSA-N 438.532 1.949 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1c1cnn(C)c1 1588660179 RLUDLCTULAKCEN-HXUWFJFHSA-N 434.548 1.752 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588954281 CVCXAGVDOAMKKN-SFHVURJKSA-N 444.486 1.654 30 10 IDEE C#CCSCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589124941 FNOQMPOUFKLDNU-NHCUHLMSSA-N 433.578 1.544 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1589567166 AYLMGKDKSZUXMU-BJLQDIEVSA-N 427.553 1.823 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H](C)C(=O)NC 1589569884 RQXPBMXEYWXCNV-CVAIRZPRSA-N 429.569 1.939 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC(N)=O)c2)CC1 1594097010 KZMRRTFRFPWJLY-QGZVFWFLSA-N 445.545 1.249 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595555657 GMTHBQKMNLBQGN-KSFYIVLOSA-N 429.496 1.694 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2cnc3c(Cl)cnn3c2)cc1 1595801665 CPSOBOCQNXRBQL-UHFFFAOYSA-N 432.893 1.547 30 10 IDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1607931839 GJNIPPYFYYCSGC-UHFFFAOYSA-N 425.537 1.628 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1620065953 GISZSEGVLFIWNZ-XXBNENTESA-N 440.548 1.373 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1620175576 SWOXDPHYYUZMOW-MRXNPFEDSA-N 441.517 1.161 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)c1 1624631876 QDEVBEAIRXXNRV-UHFFFAOYSA-N 446.550 1.906 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)s1 1624667083 MZVKWHQEKBGGHR-HOTGVXAUSA-N 429.633 1.793 30 10 IDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1626788540 AMDQLNHLHZFUNM-KUHUBIRLSA-N 449.554 1.717 30 10 IDEE CCOCCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H](C)C1 1629011476 WYTSBXFPOGAAMS-HNAYVOBHSA-N 425.526 1.990 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@H](Oc2cnccn2)CC1 1636559212 SNANXPCDYZEHDJ-WKILWMFISA-N 443.529 1.802 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1 1638075910 VTTHLKOIUNWVGB-HNNXBMFYSA-N 435.454 1.573 30 10 IDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)CCC1 1639507505 WGCIXLHJOFYOPU-OAQYLSRUSA-N 434.514 1.170 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN([C@@H]4CCOC4)CC3)C2=O)cc1 1640918322 CCXFNLALICZOHO-MOPGFXCFSA-N 425.489 1.133 30 10 IDEE C=CCC1(O)CN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1644589127 NGALCLJJAYSUEZ-INIZCTEOSA-N 444.557 1.694 30 10 IDEE Cc1ccc(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1648052233 PSNQJBFIKSYYEI-UHFFFAOYSA-N 429.326 1.745 30 10 IDEE CS(=O)(=O)c1ccc(N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(S(C)(=O)=O)c1 1651438347 HNTHXLKZQMUPOK-OAHLLOKOSA-N 434.543 1.841 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)C1=O 1653958098 BBFDYBAHBWVBMU-OYHNWAKOSA-N 448.520 1.507 30 10 IDEE Cc1sc(NC(=O)CN2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)c(C#N)c1C 1654415442 WNCWRWFSHFGSIG-UHFFFAOYSA-N 447.561 1.987 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1666007125 ZUENBYYOVFVZNY-GNZRSQJKSA-N 441.571 1.983 30 10 IDEE C=CCOCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1672849087 LJHLNMGIAWNXDL-INIZCTEOSA-N 439.534 1.975 30 10 IDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1684862768 DGKFIVAFZSQNLU-SFHVURJKSA-N 427.530 1.451 30 10 IDEE C#CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1685153130 LYKKDSRHCLHMKH-ZACQAIPSSA-N 427.567 1.711 30 10 IDEE C=CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)C1 1690453916 NFOPHVICPVZCOY-UHFFFAOYSA-N 431.566 1.839 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1690664150 KSFBINZBNXDKCB-UHFFFAOYSA-N 426.521 1.280 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1690731569 MGPQQRKVWDINOK-QGZVFWFLSA-N 443.573 1.661 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2c2cnn(C)c2)CCOC1 1696030691 RZDJWSMQHYHXQI-SVMVAKDDSA-N 442.568 1.929 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)cc1OC 1697361931 WNUZQGFWKOSDIQ-NRFANRHFSA-N 432.500 1.982 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697936515 LRTQZIKQQWEABI-GCJKJVERSA-N 441.536 1.510 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)Br 1698255490 SYOQLAICFMBTDB-TUAOUCFPSA-N 436.257 1.719 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)c1ccccc1 1705500061 FLSCIPHKLVWXOC-QGZVFWFLSA-N 441.561 1.576 30 10 IDEE C#CCCCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539054 IENBLPCCAYQMKG-VGOFRKELSA-N 443.552 1.918 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1705583185 RYMMMXRHWNMUBH-UYAOXDASSA-N 443.548 1.695 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705906241 XUPYZBWCDWIQEL-AEFFLSMTSA-N 438.532 1.893 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nncn2C)C1 1705917635 XBPAHVPXCJKLEP-INIZCTEOSA-N 425.493 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C 1705935645 YMGQACQKZNOUPZ-UHFFFAOYSA-N 449.968 1.888 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1705939487 FKJBWIIYCBVPLK-UHFFFAOYSA-N 441.561 1.951 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOCC2)CCOC1 1706671355 DMONCZIRXZPCRG-RTWAWAEBSA-N 436.532 1.483 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709837535 HGZJQVMFTLMRDW-QGZVFWFLSA-N 425.493 1.581 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1722282807 FAFXYRYYGJHGJS-RDJZCZTQSA-N 437.504 1.593 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722361370 MLSLXTOYIIMANK-GOSISDBHSA-N 440.529 1.254 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1722421162 GULDJONWOJRUBD-UHFFFAOYSA-N 448.502 1.902 30 10 IDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)NCC(F)F)CC1 1722566112 KATIPQFYSCHWRR-UHFFFAOYSA-N 446.506 1.990 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1729202372 IXPWDYOVUXOHNX-GOSISDBHSA-N 439.545 1.979 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1729618887 CEABQEXPPJUBIO-ICPLQIHGSA-N 438.532 1.973 30 10 IDEE COC1(C(F)(F)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1729906510 ASCKXTKWKYXKQZ-HNNXBMFYSA-N 434.447 1.900 30 10 IDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1730446933 HLFGWAVVQXRZTJ-INIZCTEOSA-N 446.577 1.959 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740583142 VNCITZBDEAYVMZ-SFHVURJKSA-N 426.546 1.996 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1740618022 AWCSMXSGCZUGQC-KRWDZBQOSA-N 449.964 1.704 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(C)=O)CC1 1740673832 IUIJGXLVUGIFTP-UHFFFAOYSA-N 428.562 1.988 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740678979 WPDGFQBLZCCMIG-GOSISDBHSA-N 438.532 1.555 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C(C)C 1740683293 AZZVGORTWNLWDT-NRFANRHFSA-N 448.593 1.731 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C)[C@@H](C)CC)CC1 1740707136 QKTWWWRJECJMJR-IBGZPJMESA-N 437.592 1.960 30 10 IDEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1740720613 FUBQLLZCEKVRNV-UHFFFAOYSA-N 429.571 1.951 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740759853 LZJCPIWXKJPYAD-JYLXEMOASA-N 441.532 1.605 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)(C)C)CC1 1740833761 XSXPLCIWZPLAMH-CQSZACIVSA-N 426.587 1.596 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1740986980 MJMVOIOXQIGIAO-UHFFFAOYSA-N 430.534 1.964 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCO[C@H](C)C1 1741710633 GFVKXRIBKMXTOF-MRXNPFEDSA-N 432.550 1.760 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1745953290 DUDBSUXAIZHFJI-LJQANCHMSA-N 439.545 1.806 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1746408011 DUIQICOWQAYIKD-RBUKOAKNSA-N 428.562 1.924 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CCOC)c2)C1 1748132998 FLAMEJJFUXBWBF-QHCPKHFHSA-N 448.531 1.670 30 10 IDEE C#CCCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1748729926 GCJMYVIIGAWAQK-FXAWDEMLSA-N 439.582 1.204 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)noc2C)CC1 1748976839 BFXGOMIJASLBBG-QFIPXVFZSA-N 428.537 1.727 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NC)c1 1749053349 HBPHRHXAJZIQTI-QVKFZJNVSA-N 444.561 1.288 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749268966 KJSDDFVOSQLCHA-OAHLLOKOSA-N 437.932 1.776 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C 1749558962 ZTHWYNJPSZXSLG-CEXWTWQISA-N 443.596 1.595 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1749664132 XLXRFDDNHYWUQM-UHFFFAOYSA-N 442.474 1.586 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CN2CCOCC2)CC1 1749676123 FIZYZOITKLIOJT-UHFFFAOYSA-N 439.564 1.115 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1750194100 DHWRKXQESFFIBI-GOSISDBHSA-N 426.502 1.790 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760147030 DYQWTNMTKUUDTD-HNNXBMFYSA-N 438.575 1.631 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760188563 BWEJQTMLFOIFKN-FQEVSTJZSA-N 442.589 1.377 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1760284048 FCFNAKCQOIDCFE-MRXNPFEDSA-N 446.602 1.157 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1760359066 BKHLIJINBAGLKG-OAHLLOKOSA-N 432.550 1.564 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760365558 BTFFXFMFYDJTFL-NSHDSACASA-N 437.913 1.176 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 1760553912 LTAKBDBWNJWINY-UHFFFAOYSA-N 430.456 1.978 30 10 IDEE Cc1nnc(N2CC[C@H](N(C)Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762561543 NJTCZFSARCYJQR-XQDODVJUSA-N 435.532 1.824 30 10 IDEE CCN1CCN(CCCCn2c(-c3ccc(C)o3)nnc2N2CCO[C@H](C#N)C2)CC1 1765560322 SAQSIJORHLGANL-LJQANCHMSA-N 427.553 1.993 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1768540240 QTAIJXYWSBTQDO-APFMSCDFSA-N 438.488 1.705 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCNC(=O)c1cc[nH]n1 1768659229 AGHVRCRXQLOCNY-UHFFFAOYSA-N 441.499 1.925 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1OC 1768663779 GMQOGRCNIFSJOK-GJZGRUSLSA-N 442.476 1.032 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)OC 1769237729 HJXAMHQCNJZKST-ROUUACIJSA-N 425.493 1.034 30 10 IDEE COCc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1769347707 FPZFAKLXSRCOOD-KUHUBIRLSA-N 436.513 1.525 30 10 IDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1770288117 BIIUFSHNOSEZEP-AEFFLSMTSA-N 431.518 1.389 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1770749407 XPSRVYHQCXPNGW-AOMYARPXSA-N 437.435 1.339 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC(C)C 1771195811 SXSXBNBCRXMEOX-HNNXBMFYSA-N 430.509 1.962 30 10 IDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cn2)CCO1 1771538507 DIFVGULMQPANGW-HNNXBMFYSA-N 431.884 1.257 30 10 IDEE C[S@](=O)C1(C(=O)ON2C(=O)c3ccccc3C2=O)CCN(C(=O)OC(C)(C)C)CC1 1772790500 DMHQZBAALNZQRO-PMERELPUSA-N 436.486 1.889 30 10 IDEE CN(CC(=O)N1CCOCC1)C(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 1848552044 TUCWJNMXMGHJLS-UHFFFAOYSA-N 439.491 1.779 30 10 IDEE C=CCOC(=O)N[C@H](C(=O)O[C@@H]1CNOC1)c1ccccc1I 1850430398 FTOKJBFETYGKMA-MFKMUULPSA-N 432.214 1.691 30 10 IDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CCOCC2)cc1 1851881171 UBESKPKJOLGCNT-SFHVURJKSA-N 435.452 1.585 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858963634 CRGIHPFEHGPTBT-UHFFFAOYSA-N 431.426 1.502 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 1861579845 OYPWVTCHOWWLDY-XPHWWTOTSA-N 439.306 1.744 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N(CCC#N)CC(=O)O 1866337883 IIBMUQRYWKEIRW-MRXNPFEDSA-N 433.461 1.840 30 10 IDEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN(C)CCO 1870375767 KYRQZYGFHGGDBV-UHFFFAOYSA-N 425.485 1.524 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN(CCO)CCO 1870399317 JFIZUUMEMKJLMA-UHFFFAOYSA-N 443.500 1.041 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1889353032 NWALKPAIAPRDQK-NRFANRHFSA-N 444.620 1.426 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1985010403 BMUHMRRMOPTCFX-OWCLPIDISA-N 425.526 1.637 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(I)cnn1C 2015736074 SAGWNVOCKSOLAC-LBPRGKRZSA-N 446.289 1.948 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](O)C1 2076823094 YPPXCHZVWRFAHY-XSSWVLNGSA-N 440.346 1.460 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1nc(C#CCO)ccc1Cl 2232369011 JRWMTBNYBWWDBW-UHFFFAOYSA-N 433.873 1.507 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)s1 2247811301 HRXLHSTUDYRNLS-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255641847 XBSSDGRXZSFEGG-CQSZACIVSA-N 434.346 1.706 30 10 IDEE Cn1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255666483 UVXMDDHFMBNSJE-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)n1 2255842505 SLBANIFBJMJQHE-FQEVSTJZSA-N 435.334 1.244 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 2267272056 WUXCHSHBWBXEAJ-ZDUSSCGKSA-N 443.275 1.855 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2267282793 HGYKLVCIHKKNGT-OAHLLOKOSA-N 449.357 1.860 30 10 IDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@H]3C3OCCO3)c2)OC1(C)C 2267372495 PIVPYPQIKLHLLQ-AWEZNQCLSA-N 429.369 1.963 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(F)c(C#N)c1)NC(=O)OCc1ccccc1 2286044242 JXNZQHKYANQLDJ-QGZVFWFLSA-N 435.433 1.907 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204812 PRECVYAZFFYUII-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1S(=O)(=O)N1CCOCC1 29006515 HGECHDBVJXAVRK-OAHLLOKOSA-N 445.497 1.994 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 29149741 ALUSTDZQELGBAX-CQSZACIVSA-N 435.527 1.724 30 10 IDEE COCCn1c(=O)c2c(ncn2Cc2cccc(C#N)c2)n(-c2cccc(OC)c2)c1=O 34694290 DFTULIWCVIXKJI-UHFFFAOYSA-N 431.452 1.924 30 10 IDEE COc1ccc(S(=O)(=O)N=C2NCN(Cc3ccc4c(c3)OCCO4)CN2)cc1OC 72471257 OXUXCNPZZFWNSL-UHFFFAOYSA-N 448.501 1.130 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(C3CC3)C(=O)C2)cc1[N+](=O)[O-] 410249806 PTEJISRSSFXSSE-UHFFFAOYSA-N 438.444 1.827 30 10 IDEE C[C@@]1(c2cccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)c2)NC(=O)NC1=O 426425323 AXTICBTVNCWEQI-VGSWGCGISA-N 449.492 1.767 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 439933390 NZAIZAAGMSZTHD-TVFCKZIOSA-N 448.497 1.329 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2c(Br)cnn2C)c1=O 447279913 JMAXHVKSCSUYLI-LLVKDONJSA-N 435.347 1.710 30 10 IDEE CN(CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)S(=O)(=O)c1cccs1 462079730 GWVXJTJMLSGYOQ-UHFFFAOYSA-N 431.503 1.643 30 10 IDEE C=CCc1cc(CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)cc(OC)c1OC 465811967 MPHJJUXMAKHTBQ-UHFFFAOYSA-N 427.505 1.558 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)c1 481059238 NIFQYFHITFNCRV-UHFFFAOYSA-N 435.452 1.889 30 10 IDEE CCN1CC[C@H]2OCCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)[C@H]2C1 502693593 IYICVKSPQDQAED-GBESFXJTSA-N 425.489 1.085 30 10 IDEE CC1(C#N)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 503742604 ZQCLKYLMFXJACM-UHFFFAOYSA-N 425.454 1.842 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)cc2C1=O 505362414 ORDRRVQRAPYAGJ-INIZCTEOSA-N 438.528 1.674 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)CC1 524465044 GBBVUMMSWYMRMD-UHFFFAOYSA-N 432.569 1.133 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCO[C@@H]4CCCC[C@H]43)CC2)cc1 532642485 MTWSUQOUQOZUNE-WOJBJXKFSA-N 432.546 1.035 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(Cc3ccon3)c2=O)c1 537394800 RRIMEACSQFUYMB-UHFFFAOYSA-N 438.509 1.776 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] 542684658 YUYQYFTUTWQKPF-MRXNPFEDSA-N 440.460 1.537 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)CC4(C#N)CCCC4)CC3)C2=O)n(C)n1 546777767 FTAUJJAWXWQXAT-SFHVURJKSA-N 448.593 1.255 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 549265730 IRLOACSYTBPZOE-MOPGFXCFSA-N 447.561 1.765 30 10 IDEE COc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 550125486 RIXMYORRRDPKPM-LIRRHRJNSA-N 438.459 1.800 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1-c1ccccc1C#N 551920301 FNYOMSKGNMUVCK-UHFFFAOYSA-N 426.457 1.766 30 10 IDEE COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)c1C 563479641 RTVPUNGGVJZAKS-UHFFFAOYSA-N 437.500 1.793 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)cc1 584561133 TWHHZHDNLUXCKB-LJQANCHMSA-N 444.557 1.478 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(F)c2F)c1=O 593991565 CYTMHUUQWAUZCB-UHFFFAOYSA-N 431.464 1.148 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3ccccn23)CC1 685534736 MYPNJAQJFVBQLU-CQSZACIVSA-N 430.538 1.501 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140081 UOWXDCUOJOPVIG-RHSMWYFYSA-N 444.561 1.082 30 10 IDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cscn2)C1=O 730145334 ZNVAYLMCKFJKTJ-LRWZUSMTSA-N 446.602 1.649 30 10 IDEE CS(=O)(=O)N(c1cccc(C(=O)/C=C\c2cnc3ccc(C#N)cn23)c1)S(C)(=O)=O 736433604 HFFWWOHYRFUICA-FPLPWBNLSA-N 444.494 1.828 30 10 IDEE COc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Br)c1 737305227 FVHXQWCUCUANTN-PFONDFGASA-N 437.250 1.039 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C[C@H](C)C(C)C)C1=O 739399970 CJEIWGDPFXCJLN-NTGQDFKTSA-N 440.591 1.562 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)Cn2cc(Br)c(O)nc2=O)CC1 749531450 VTHAQVOCDIXXNS-UHFFFAOYSA-N 432.278 1.368 30 10 IDEE CCCCCCn1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(O)nc1=O 769626286 FLCGSXNEYUAAHN-UHFFFAOYSA-N 446.533 1.307 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 778447053 NHHVMEBJTVQDGA-UHFFFAOYSA-N 436.537 1.886 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)c(C)n1 781661900 MVDDMTHXSYMGFH-UHFFFAOYSA-N 431.477 1.045 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)Cc2cnn(C)c2)n(Cc2ccco2)c1C 786868682 FMZGYOJXNOYULU-GOSISDBHSA-N 425.445 1.437 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccnc2N2CCN(C)CC2)n1 788912782 DSRNEEIKXGIPRA-UHFFFAOYSA-N 425.537 1.021 30 10 IDEE C#CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)[C@@H]1CCS(=O)(=O)C1 789903946 FHPXNCIXIKLNML-GFCCVEGCSA-N 427.404 1.859 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 791206857 ADMUHMSVGODZPB-LJQANCHMSA-N 429.473 1.268 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 796094628 DGVBZDVOCGMESA-AOMKIAJQSA-N 441.509 1.663 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)o1 796278692 JSQCFLPDWVNJOA-SFHVURJKSA-N 447.536 1.087 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812055178 WJSGYDRHXHFJSC-LJQANCHMSA-N 441.557 1.384 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3OC)n[nH]2)cn1 1084088914 DDVWZGQZOZIURH-UHFFFAOYSA-N 430.494 1.833 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCN4CCSC[C@@H]34)C2=O)cc1 1133494122 KOHFGGNNMOOCFM-KURKYZTESA-N 427.530 1.459 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(CCn4cncn4)CC3)C2)C1 1147842977 GKGCVFKPXKIPJP-WUZYXKQASA-N 443.552 1.209 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C)cc1 1162311630 PPVRBIBPWWGOQL-KRWDZBQOSA-N 439.534 1.809 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N2CC(C)(C#N)C2)c1 1214484698 HXWHSUFKPDYSJS-UHFFFAOYSA-N 435.550 1.931 30 10 IDEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1254501968 BLQBEFVEAXRPQH-UHFFFAOYSA-N 439.843 1.370 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1286398868 RRHMDQJKPSDPBJ-JYJNAYRXSA-N 428.942 1.381 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)c2occc2C)CC1 1286481360 UMYCCVSRDMVITE-LJQANCHMSA-N 440.548 1.996 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCCCCC2)CC1 1286493666 OUKQGNXHDHYYPK-LJQANCHMSA-N 429.565 1.833 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1286563473 QFSAZQPINFPCGU-SJLPKXTDSA-N 444.580 1.484 30 10 IDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1286645008 QJUJCFUCOXJBFF-IBGZPJMESA-N 426.569 1.778 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286651624 HNHBVCRRFWKOPY-GDBMZVCRSA-N 445.611 1.116 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286700523 IVCSTHGRYIRNPS-OALUTQOASA-N 443.596 1.718 30 10 IDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1286739730 MQCXPDXHDDEMKI-AWEZNQCLSA-N 435.575 1.859 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286787312 REXHTJSJEVOMFC-SFHVURJKSA-N 439.564 1.939 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCS(=O)(=O)C1 1286793778 LWBPEKYTJLTRQO-WCQYABFASA-N 441.464 1.003 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cncn2)C1 1286822050 GJTMZYLEPQKTRS-GOSISDBHSA-N 442.549 1.298 30 10 IDEE CCOCCOC[C@H](O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1297308945 CZEYTRDKWHGXEP-QUCCMNQESA-N 447.532 1.923 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1298926856 FCXAXXWUICOIOS-LSDHHAIUSA-N 446.577 1.847 30 10 IDEE C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCN1C(=O)c1cscn1 1298952625 DVBSNSQGFFAXGW-AWEZNQCLSA-N 432.527 1.303 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1300487018 DMLGMBBTUQIRGF-KRWDZBQOSA-N 425.518 1.232 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1300491293 GIOWZYTZYQVKPS-WMZOPIPTSA-N 445.520 1.352 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300539086 XUTXEGWWMOAMHT-CEXWTWQISA-N 447.605 1.141 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1300631030 KQZYCHRTVTWKBH-GOSISDBHSA-N 433.534 1.580 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301257762 DUQGQBNFEOBOMJ-RTBURBONSA-N 433.553 1.592 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC[C@H]1CC 1301295881 BRDSTAMGIHZUKJ-QZTJIDSGSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1301497709 BDFCVSOPLDMENO-SFHVURJKSA-N 432.569 1.905 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1302495540 QUXNJRGRXODLRE-UHFFFAOYSA-N 446.533 1.396 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCn2ccnc21 1303848473 ILBXQSGUAPYKKP-YRNRMSPPSA-N 446.581 1.792 30 10 IDEE COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1304002124 LOKAQHRKHKIZIR-WJPUGNRLSA-N 449.529 1.658 30 10 IDEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1304704088 BXCGTRMGRAYAIG-UHFFFAOYSA-N 425.518 1.647 30 10 IDEE COC(=O)[C@@H](NCCCNC(=O)COc1cccc(Br)c1C#N)C(C)C 1306844630 PXPJOKBKRMSWTB-KRWDZBQOSA-N 426.311 1.993 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(C)(C)C(=O)NCC)nnc12 1306854843 PUENGMAGDGSALQ-UHFFFAOYSA-N 428.518 1.353 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1358965093 NOPVRPFYWOVKAZ-LJQANCHMSA-N 444.605 1.478 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)nc1 1359010285 LNFMSBULHUIHQO-HNNXBMFYSA-N 438.941 1.167 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C(=O)NC)CC1 1359044726 MYUFPDVRHAVWDA-KRWDZBQOSA-N 430.553 1.258 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1359303258 IRLFCCVFUOFBKS-HKUYNNGSSA-N 438.532 1.669 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCCOC2)C1 1359334245 YAQZEOVDLZDAEB-NRFANRHFSA-N 431.562 1.872 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1360783707 QEHYRQKLSUKDCH-HXUWFJFHSA-N 427.534 1.886 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1442974553 SXESQCULLDCSOF-LJQANCHMSA-N 434.581 1.696 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1C(F)(F)F 1455881431 ZAKWQROEMJLYMZ-VXGBXAGGSA-N 445.398 1.125 30 10 IDEE COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1471888275 IEPJSTHCVYWQMH-MRXNPFEDSA-N 433.461 1.155 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cn1 1475477065 MHLDMYRSKFVXEE-UHFFFAOYSA-N 436.559 1.478 30 10 IDEE CCCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1501040245 GPOZRMNWCYWFDM-ABSDTBQOSA-N 437.614 1.893 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507559888 YIAVZGZKIYKYKI-NRFANRHFSA-N 446.559 1.831 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1507638214 WPUQKFGMWRKXEN-RBUKOAKNSA-N 441.919 1.474 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1507654099 VSZSGGZMOHUOQU-KRWDZBQOSA-N 426.498 1.073 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccco2)N(C)C)CC1 1507741438 SSQROYBVYSPCEY-AZUAARDMSA-N 440.548 1.991 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507756950 SFGCUJYHNUMJBE-CYBMUJFWSA-N 427.621 1.870 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1508076520 GCRPMQZYOZJQBK-SFHVURJKSA-N 425.493 1.943 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1517238614 CBXWPBDSRNDJFV-MEUCICPISA-N 425.493 1.283 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@]3(OCC)CCOC3)n2CCOC)c1 1539039721 FXDNGPZKKKHJPZ-QFIPXVFZSA-N 427.505 1.633 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 1539764917 BIOUIPYEWLMFMY-NVXWUHKLSA-N 432.550 1.303 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(N)=O)nc2)C1 1540896272 JLBWQUDTJOZDAT-LNLFQRSKSA-N 442.520 1.326 30 10 IDEE CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978550 RZVGNCZSCUJXNP-HMNTXPNISA-N 430.461 1.757 30 10 IDEE C=CCN(C(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1)[C@@H]1CCS(=O)(=O)C1 1543487109 GRUFOVXDVOURQO-OAHLLOKOSA-N 441.554 1.398 30 10 IDEE CCS(=O)(=O)NC1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1543927884 VSPXOVNMYVITAC-UHFFFAOYSA-N 427.567 1.567 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC(C)(C)O1 1544755872 OFSPBWSFCUVGLE-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1547475851 SQGZYUBNYZGQSJ-UHFFFAOYSA-N 449.519 1.238 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1555994435 WPBIASSURIEKHP-SJORKVTESA-N 433.463 1.425 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 1557719242 VGCSBTVNXLRHJE-UHFFFAOYSA-N 427.482 1.816 30 10 IDEE C=CCn1ncc2ccc(NC(=O)NC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)cc21 1563315339 JGCGSHQIDMKTQV-UHFFFAOYSA-N 443.533 1.931 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)c3snc(C)c3C#N)c2)CC1 1584665022 GZPRQGFMEQHMDB-UHFFFAOYSA-N 447.542 1.453 30 10 IDEE C=CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1585491270 LPEOQFQXASAXPY-SFHVURJKSA-N 449.573 1.733 30 10 IDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1587500849 JKMBFCFWWZHJLH-SFHVURJKSA-N 431.512 1.344 30 10 IDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1587501289 SUZXEAIXSRBPCS-HKUYNNGSSA-N 444.582 1.997 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCOCC1 1587638116 BTFJVQHKIPSASQ-FUHWJXTLSA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCc2ccccc2C1 1587909347 JGRUWFPACGCMHJ-XLIONFOSSA-N 444.605 1.795 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587975099 NKRMBBFFRMEXEG-INIZCTEOSA-N 440.529 1.951 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588075118 YBBHBRRTZVXCHK-RTBURBONSA-N 449.577 1.015 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588075121 YDMQWBAFEYKFSU-VQTJNVASSA-N 443.573 1.893 30 10 IDEE C#CCN(CC(=O)NCc1c(I)cnn1C)C(=O)OC(C)(C)C 1588105642 FFDHNVJJSDHPNM-UHFFFAOYSA-N 432.262 1.511 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1588167138 XNTFLJUVSQQLCM-KRWDZBQOSA-N 428.537 1.901 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589070947 ZNBLZWHBWBPSQR-IBGZPJMESA-N 448.637 1.529 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1595569482 HWRQBWQWHCLCNH-QFIPXVFZSA-N 427.505 1.198 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1595760919 UYAZUSRXVHAAGB-KRWDZBQOSA-N 438.598 1.082 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1597813142 PDFMBQCAMDNTFP-WMLDXEAASA-N 449.554 1.870 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1616735428 XCPBEXLHEDQYIT-HSZRJFAPSA-N 443.500 1.574 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1618636904 YRDALFOLFQANON-LLWUOSFCSA-N 449.515 1.434 30 10 IDEE COCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1620079515 XSXRUPABKMNVMM-LJQANCHMSA-N 441.536 1.428 30 10 IDEE C=CC1(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1624140592 NSCIPYKLVRTNJY-HNNXBMFYSA-N 425.526 1.620 30 10 IDEE C#CCN(C(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1626433991 BMDAEGLEKLHAKW-HUUCEWRRSA-N 436.534 1.505 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCc1ccc(C#N)s1 1626826974 SYVFESUEDRTJEM-APHBMKBZSA-N 439.559 1.906 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 1630379800 YOXHZUDQZJZPIB-KBAYOESNSA-N 428.489 1.542 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 1632219451 WLECDNXSAYYVTD-IBGZPJMESA-N 440.525 1.911 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)CCN3C(=O)COC)s1 1633507606 QSMIJCLHXUFBMX-UHFFFAOYSA-N 449.554 1.929 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(OCCO)CCC(F)(F)CC2)c1 1645739382 VXZGFAUHUZZHQE-UHFFFAOYSA-N 432.489 1.838 30 10 IDEE NS(=O)(=O)c1n[nH]cc1C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645936685 FUKJQNWSQMKRCP-PHDIDXHHSA-N 442.288 1.300 30 10 IDEE CCS(=O)(=O)N1CCC[C@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)C1 1648749968 HRXNCSCHOKPICK-LBPRGKRZSA-N 445.339 1.231 30 10 IDEE Cc1nc(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[nH]c1Cc1ccccc1 1649092273 CICOCSWNGDYVHT-OXJNMPFZSA-N 430.555 1.798 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1649573038 RTLDUNMNWOQEDH-UFOSLELVSA-N 425.518 1.808 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)CC1 1650846402 VNOWGPZJEFAXQL-UHFFFAOYSA-N 438.506 1.087 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1652521856 XUNHTPZCMFJGSY-VZJWBNGJSA-N 425.551 1.857 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCc4cc(C(=O)OC)ccc4NC3=O)cc2C1=O 1652783582 HNLCPKVJGHNSKE-IBGZPJMESA-N 447.447 1.939 30 10 IDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 1669704069 ACXCMCVJPSUUBK-UHFFFAOYSA-N 448.527 1.855 30 10 IDEE C#CCN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1675071369 YXDNRVYHLDVDSJ-RZFLPCETSA-N 439.578 1.995 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)n1 1683899024 WZQKPEZSRRBBRK-UHFFFAOYSA-N 449.552 1.748 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1689841649 LGPVEDJEHVDTGU-IRXDYDNUSA-N 441.532 1.915 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCn2ccnc2C)c1 1689870331 KQKWOQDEKHOMJQ-LJQANCHMSA-N 446.515 1.491 30 10 IDEE C#CCN(c1nnc(C)n1CC1(N2CCSCC2)CCCC1)[C@H]1CCS(=O)(=O)C1 1689980375 QMOOPGACDDJBJK-SFHVURJKSA-N 437.635 1.575 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1689996754 NQVOBAONCJZQHF-QGZVFWFLSA-N 430.530 1.317 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)CC1 1690146224 IPTNUXUCNBEDBC-UHFFFAOYSA-N 449.621 1.657 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690470632 HKAYXRMASROTJV-INIZCTEOSA-N 442.586 1.769 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 1690471984 AJBHUAILDLAWDO-HNNXBMFYSA-N 439.611 1.633 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1690543956 VFXYZYFMDOKUSW-QGZVFWFLSA-N 430.534 1.340 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1691004158 PEOVAPNOVLQHHO-IXDOHACOSA-N 425.555 1.219 30 10 IDEE CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695439487 HLLJPPQZWIJONP-MRXNPFEDSA-N 448.535 1.187 30 10 IDEE CCN1CCC(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CC1 1695821728 JKVQELINTWIQEP-ZCNNSNEGSA-N 432.569 1.853 30 10 IDEE COCCN(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1698026589 FRNQPGYMVJXWNA-AWEZNQCLSA-N 438.330 1.343 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1705542086 YFCXTJFCDQHJOH-GUYCJALGSA-N 445.467 1.408 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705572112 QZANXGOVHPKPLP-UHFFFAOYSA-N 441.845 1.943 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)Cc1ccccc1 1705584649 SMPGHNBSLZNDRK-UHFFFAOYSA-N 433.537 1.952 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cccc(Cl)c2n1C 1705628055 WQNBHTHGHZDSFN-INIZCTEOSA-N 441.923 1.904 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC(=O)N(CC)CC)CC1 1705642004 CIZKNFVQPLNAKH-UHFFFAOYSA-N 440.596 1.544 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705658615 VLCXZYHCKJKGRW-GOSISDBHSA-N 438.561 1.820 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1705939525 ZACPFUWSOWWGFG-FCEWJHQRSA-N 444.623 1.861 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706153489 PLPIFBKXQBEIKG-AWEZNQCLSA-N 439.520 1.622 30 10 IDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC1 1706574459 DCNSMWCABOTXIH-UHFFFAOYSA-N 433.520 1.500 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1711015922 SUNYSMOYLODILO-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1711338538 GSVDWEVJLXPLKG-KRWDZBQOSA-N 442.545 1.356 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N(C)C[C@@H](C)C#N)c1 1711417318 IEIFBUZEFWRYJR-INIZCTEOSA-N 439.545 1.816 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 1712559269 AMHLHIAKZJEPMR-QGZVFWFLSA-N 426.521 1.725 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1722330084 OUPNZPQHNGDVRN-KRWDZBQOSA-N 433.516 1.710 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1722362993 YBYLGEPHAXZBBM-ZDUSSCGKSA-N 437.323 1.270 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](SC)C(C)(C)C)CC1 1722431317 JHSMGSLCUCAGNW-JKSUJKDBSA-N 442.655 1.421 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(CC)C(C)C)CC1 1722446508 YMAJAOVAOCLRTN-UHFFFAOYSA-N 425.581 1.980 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnnn2C)C1 1722714533 KQOUHSUCCCLVSK-KRWDZBQOSA-N 425.493 1.920 30 10 IDEE CC(C)(C)OCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1723014018 GNBXLADJNNMAKY-GOSISDBHSA-N 440.552 1.996 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCCCO 1723964340 SFPYHVSPEQVFNM-QRQLOZEOSA-N 446.577 1.794 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1740553489 STQVRBWPQGBLNN-SJLPKXTDSA-N 429.546 1.297 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1740580972 MCSSGUFKGUNKIQ-HZPDHXFCSA-N 425.555 1.076 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)NC)CC1 1740699028 YTGAORKCFANWID-UHFFFAOYSA-N 437.367 1.660 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740809437 MIRGXANRYJRDHD-KSSFIOAISA-N 430.944 1.476 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740867619 QPRWCCYYYUSSIC-UHFFFAOYSA-N 444.540 1.332 30 10 IDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1740900550 RSYRXIKUKBLZEH-BWVDKLOVSA-N 436.472 1.939 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740999899 QZUAGNNJIWRJBS-INIZCTEOSA-N 439.549 1.791 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1Cc1ccc(C#N)o1 1741928599 SRUOBHNUCXXPOQ-UGSOOPFHSA-N 436.563 1.735 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)C(C)(C)C)CCOC1 1746698238 CAXNSKXGAGNIBQ-MOPGFXCFSA-N 443.545 1.585 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)CC1 1748988829 CGZNLVKODPJQFN-SFHVURJKSA-N 448.568 1.378 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN2CCOC[C@@H]2C)CC1 1749009311 HQYGBLNUIJKBNK-SFHVURJKSA-N 428.581 1.622 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCC(=O)NC 1749255650 GEUASILKZOMJIA-UHFFFAOYSA-N 440.957 1.520 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CO)c2)CC1 1749304397 ZJZVZWFKJKGPTQ-IBGZPJMESA-N 447.561 1.308 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1749457626 NQYCBKQLUUZWCK-QZTJIDSGSA-N 441.598 1.830 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC[C@H](C)C1 1749488957 PPWLSCMCUYVBFR-BZSNNMDCSA-N 440.614 1.354 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1749630595 SCIHMOUSRRGGTH-KRWDZBQOSA-N 433.582 1.164 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749672204 SRGYJPSPTLCMSO-HNNXBMFYSA-N 430.484 1.587 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1749738363 KNSKXNYHUHJXKW-UHFFFAOYSA-N 435.594 1.670 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1750034449 QIWFZTQCHYKJDX-UHFFFAOYSA-N 435.532 1.792 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1OC 1750154220 JFTYBOVBBXTEFJ-QRFRQXIXSA-N 443.504 1.796 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)Nc1ccccc1 1750154473 OSTCXHNVUFDQPO-QRFRQXIXSA-N 440.504 1.760 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CCO1 1750387882 DGTJKFRCVGNZJJ-ZWKOTPCHSA-N 436.582 1.175 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1760116387 GYGVNYMMMBVPIK-BBRMVZONSA-N 438.579 1.077 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760145354 NKONNIBRAGZMDD-ZIAGYGMSSA-N 436.504 1.375 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCCO1 1760196962 NWWNKIAAIIQVDB-JOCHJYFZSA-N 441.557 1.837 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760320717 ZCZSBJKJQLAENA-UFYCRDLUSA-N 436.516 1.749 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1760506553 DQLLOPIPIKEZKR-INIZCTEOSA-N 430.578 1.364 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760515220 RWESOYZDGDIOIJ-YJBOKZPZSA-N 429.481 1.818 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1760523154 NWGNXEMMYGDUGL-KRWDZBQOSA-N 449.515 1.822 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1760560333 SLHOBRJDQUOKFO-AWEZNQCLSA-N 444.627 1.255 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1760698904 RZDAWFXIOAQQJD-CQSZACIVSA-N 426.456 1.803 30 10 IDEE CC1(C)CN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCO1 1761567057 LHVQPNVOPRAOBV-MRXNPFEDSA-N 446.502 1.987 30 10 IDEE CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1764706494 AVIXPGRXWFGHMN-ZZEZOPTASA-N 426.477 1.945 30 10 IDEE CCOCc1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766369725 JHCLQFUDORDZAS-VXPUYCOJSA-N 444.536 1.738 30 10 IDEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1768466754 CEMQBKCREKHFKZ-OAQYLSRUSA-N 445.545 1.633 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CC1 1768637617 HSOKIRCNNIVCRZ-UHFFFAOYSA-N 442.545 1.486 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1769922771 VVZKFTVDYOJNQS-MSOLQXFVSA-N 440.504 1.606 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)Nc1ccccc1 1770050019 HSRFNMYHYKFRSA-WMZOPIPTSA-N 428.493 1.760 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770918472 BJLMIOYQBTWNKM-XGIGFIBQSA-N 447.499 1.816 30 10 IDEE COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771047878 WIZNYUTUDVCDIC-SFHVURJKSA-N 444.561 1.562 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)CCn2nc(-c3cccnc3)ccc2=O)CC1 1850142246 ZJTSAASJYMVHPF-UHFFFAOYSA-N 443.511 1.995 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3C[C@@H]3C(=O)N3CCc4ccccc43)CC2)nc1 1851221100 HJEVYXKRYQBOPY-LEWJYISDSA-N 445.523 1.844 30 10 IDEE Cc1ccc(N2C[C@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1851584799 BUPLLALBMDEERC-HXUWFJFHSA-N 433.512 1.980 30 10 IDEE N#C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CCO1 1852748139 BHMHXJBZJPCQKX-HKUYNNGSSA-N 433.917 1.981 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cnn(CC)c2C(F)(F)F)C1=O 1854194660 VEJWYKKHLLEJAF-ZIAGYGMSSA-N 427.427 1.382 30 10 IDEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1=O 1855738570 YOJNGHDYDZOQAM-AWEZNQCLSA-N 444.435 1.053 30 10 IDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)CC1 1855985338 VCSOUEHOXOGSFZ-LSDHHAIUSA-N 427.402 1.883 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c(O)c1 1862627061 JEEWBALPVXEEIU-LJQANCHMSA-N 440.408 1.541 30 10 IDEE COc1ccccc1OCC#CCNC(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 1889402850 GRDPJHVKWVSPIN-MRXNPFEDSA-N 443.525 1.552 30 10 IDEE CC#CCN(CC(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900622052 RICCORRFGSVHCA-HOTGVXAUSA-N 425.526 1.733 30 10 IDEE C[C@H](C#CC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 1901984708 YANGIFPARMBIRF-ZIAGYGMSSA-N 427.498 1.777 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCO1 2124532635 LBSFPPYSDNLJEO-LSDHHAIUSA-N 448.329 1.787 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 2246472416 DJPXAHUVUWBGDB-OAGGEKHMSA-N 438.525 1.718 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2247908688 YGQCEWPLHMQGFK-LJQANCHMSA-N 441.359 1.448 30 10 IDEE Cc1cnc(NC(CO)(CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2254560872 LZOPEMMAWVIAHW-UHFFFAOYSA-N 437.346 1.349 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2255629267 SWJAMSPXIOWIGO-ROUUACIJSA-N 427.310 1.813 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630070 FINMJSIHCOIJAM-KGLIPLIRSA-N 436.318 1.073 30 10 IDEE CC[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255799390 HVCIQFOIJPUPDH-KRWDZBQOSA-N 449.382 1.681 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC[C@H]1NC(=O)C(F)(F)F 2255826174 LWRICBALPHZLFR-WDEREUQCSA-N 430.236 1.238 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255840500 NKJXNMYSQVVJGR-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255852666 HFOYVUWDEARBAB-NRFANRHFSA-N 435.330 1.416 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2256067530 QBAVTUWBMMELAW-KBPBESRZSA-N 432.330 1.904 30 10 IDEE CN1C[C@H](C(=O)N[C@H]2CCC=C2B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2268643706 LEVBRDFVXBLRAT-JKSUJKDBSA-N 449.357 1.901 30 10 IDEE C=CC[C@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(F)F 2270529561 XBVSOZTWIXVRBJ-KDOFPFPSSA-N 434.461 1.974 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)n1 2272632081 CNOKVFJXZGTPGW-ZSEKCTLFSA-N 447.345 1.101 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](Oc3ccccc3)C[C@@H]2C(=O)N2CCOCC2)cc1 2297645813 WAMSSCGLCPAKMT-PZJWPPBQSA-N 441.509 1.628 30 10 IDEE C[C@H]1CN(c2oc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2C#N)C[C@H](C)O1 36627688 RNJYDDKYUINWPB-GJZGRUSLSA-N 432.502 1.848 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccnc2)c(C)n1 102745472 PHSFAVIHQGYIGZ-LCPUNJGISA-N 437.500 1.632 30 10 IDEE CN(CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1 109890442 SOHKANFTYAWNDG-KRWDZBQOSA-N 445.526 1.114 30 10 IDEE CC1(c2cc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)no2)CCCC1 435319266 KQIAXIRAXHVYKM-KRWDZBQOSA-N 435.484 2.234 30 10 IDEE COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 465041470 HPJOAJFSBMCGRL-QGZVFWFLSA-N 428.514 1.896 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)o1 478749808 XBJCPHRZCXOOSI-YJBOKZPZSA-N 442.537 1.743 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@H]2CCCO2)c1=O 478752052 CJCLWKFFPSVKQK-HZPDHXFCSA-N 444.578 1.958 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)CC1 505918332 ZTTBYMPVUICRQT-UHFFFAOYSA-N 437.338 1.693 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CC1 506954649 QDWBDJYBPNNEEC-UHFFFAOYSA-N 431.493 1.182 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 507087418 KEAUKVZOJKBUKO-UHFFFAOYSA-N 444.491 2.000 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 522674947 SPDOASFKZBTANJ-UHFFFAOYSA-N 441.528 1.253 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccnc2N2CCC(CO)CC2)cc1 524469137 HLOMYDMGZMVZJH-UHFFFAOYSA-N 428.514 1.715 30 10 IDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 533595767 AFOBWFHETARDSG-HNNXBMFYSA-N 435.506 1.052 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCc1cccs1 539595557 CHKWKRZZRFTXIH-UHFFFAOYSA-N 440.550 1.175 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)n2)c1=O 575058027 KZBINYJOFZDRJB-UHFFFAOYSA-N 441.509 1.139 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 580368695 BNYLHYBYOFRVJB-HXUWFJFHSA-N 428.470 1.511 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CNC(=O)c4cnn(C)c4)CC3)cc2C1=O 589846067 UMFPZQXWCKICOO-UHFFFAOYSA-N 435.484 1.484 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1-c1ccccc1C 610244869 JUQMWSAHAZXNOK-UHFFFAOYSA-N 430.489 1.337 30 10 IDEE CN1CCN([C@H]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)CC1 613078016 BTKIDXKONHDCCK-KDURUIRLSA-N 433.578 1.167 30 10 IDEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615456179 HPNUBMICUOJMMH-GOSISDBHSA-N 441.557 1.791 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1OC)C1CC1 685534974 GVXGLZDSLBCGEX-IBGZPJMESA-N 447.561 1.975 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCC(C)C)C1=O 726404306 VUIIWNJUVVULIU-UFIXSJTLSA-N 440.591 1.706 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2nccs2)cn1 730143759 DSAJYNBDZANUIM-HNNXBMFYSA-N 449.606 1.602 30 10 IDEE CCS(=O)(=O)N1CCC(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)(c2ccccc2)CC1 732650879 KZDFBDIZSDNQSQ-FQEVSTJZSA-N 430.574 1.569 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 758082066 APQUWFDETQDCRY-LPHOPBHVSA-N 445.548 1.389 30 10 IDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(F)cc2F)C1 760318801 STPYKEHRFPFWCF-SWLSCSKDSA-N 439.488 1.836 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1C[C@@H]1CCCO1 760377194 GYTMWXJOLIEJFS-HNNXBMFYSA-N 446.960 1.475 30 10 IDEE Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n[nH]1 768743925 CBGJWHRUAYNPTL-UBADJDBSSA-N 446.533 1.217 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1 769725568 DATXNHWVSWYMJT-LJQANCHMSA-N 427.482 1.574 30 10 IDEE C[C@H](c1ncn(C)n1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790727139 MBQFCFOBOOQXMZ-OCCSQVGLSA-N 435.579 1.637 30 10 IDEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 794646375 XKAVMAAZGUWZTQ-INIZCTEOSA-N 449.557 1.960 30 10 IDEE C[C@@H]1[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC(=O)N1Cc1ccccc1 799087859 PVVXHXVZEMLHRB-CRAIPNDOSA-N 440.525 1.421 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800607281 RLONVPFYJYNGEW-UHFFFAOYSA-N 444.532 1.939 30 10 IDEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2C[C@H]2CCCN2S(C)(=O)=O)n1 803180386 ICEYSXARVBNYDJ-OAHLLOKOSA-N 443.558 1.873 30 10 IDEE C#CCC(CC#C)C(=O)OCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 803700023 ZKHWTWBZNIJTOK-UHFFFAOYSA-N 443.525 1.783 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 809890114 UBWGZEBUELSXMF-JKSUJKDBSA-N 434.541 1.735 30 10 IDEE Cc1nsc(N2CCN(C(=O)CCOC3CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 810896723 PFAVUMUAZAWKQM-UHFFFAOYSA-N 435.550 1.998 30 10 IDEE COC(=O)C[C@](C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 1132504232 KAYZYGQKQXGRHU-NRFANRHFSA-N 433.530 1.807 30 10 IDEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 1141968106 HRSFCFJIUPKCSG-MSOLQXFVSA-N 435.351 1.322 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC(N2CCOCC2)C1 1144325227 VEFISQQVEAVIMV-HXUWFJFHSA-N 426.517 1.936 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(CO)CCc2ccccc21 1164471156 ATNIQMMLZJWYHB-QFIPXVFZSA-N 427.526 1.498 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)CC1 1202151938 WPMHRGJFUXHFCF-UHFFFAOYSA-N 441.941 1.696 30 10 IDEE CC(C)C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)CC(=O)OC(C)(C)C 1231368796 JDRQPDNCYIDWAU-TWOQFEAHSA-N 427.567 1.960 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286393621 LSYJPFRIOOQTPQ-SJORKVTESA-N 449.602 1.888 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1286418400 BQRFHOGSZBHOPT-UHFFFAOYSA-N 436.907 1.501 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1286437099 HPEPJBZZCDVTEL-JOCHJYFZSA-N 436.520 1.802 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1CCS(=O)(=O)CC1 1286464000 XVFDKJQBYUDQHX-UHFFFAOYSA-N 437.953 1.904 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccn(C)n2)CC1 1286473114 ILSJYJWIPSKPMD-UHFFFAOYSA-N 443.353 1.767 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](OC)C2CC2)CC1 1286484417 KBUGGYQJQRGSRW-QGZVFWFLSA-N 428.562 1.450 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@@H]1C 1286741288 GALVQCKUIZVDCD-BVZALQNUSA-N 436.516 1.833 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286786842 JRXUWECQRHLUDH-UHFFFAOYSA-N 425.415 1.329 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNC(=O)C(C)C 1286791525 VBMAREZTTGBOQR-SFHVURJKSA-N 442.520 1.301 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@@H]21 1286831418 DQHNIHQSLYOCSF-IKGGRYGDSA-N 441.623 1.909 30 10 IDEE COCC(=O)N1CCc2cc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)ccc21 1296753168 CCDXGPBYCDMCRY-UHFFFAOYSA-N 431.445 1.911 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1298096487 BPMKYIAJMBMXMQ-NRFANRHFSA-N 444.561 1.715 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1298925481 MQVMMMQQPMCEQC-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1OC 1300041631 SYUUHNXTZKIETP-SFTDATJTSA-N 428.468 1.883 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 1300409125 FXRUBQFXMXZAAA-FQEVSTJZSA-N 443.573 1.630 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1300486749 AJNQYKFDTVLFLY-OFJJUDJNSA-N 447.586 1.268 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1300488107 AUBXEEPMJUAMKC-RTBURBONSA-N 443.529 1.105 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1300537672 IEUGSDUJYBIIRX-DENIHFKCSA-N 435.528 1.832 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC(O)CC1 1300654807 HYAIATVINXGWIA-UHFFFAOYSA-N 432.956 1.926 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC 1300656335 DRJCFSWSXYDWQR-UHFFFAOYSA-N 433.578 1.878 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1300733709 MKCUZGWKTBMQDS-AWEZNQCLSA-N 445.611 1.090 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Nc2ccccc2)C1 1301475033 KFTMJTAEYSFBLA-SFHVURJKSA-N 425.537 1.799 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1301568198 DHYRGLBSVYYQFY-UHFFFAOYSA-N 432.594 1.446 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1301967380 CHFRNBQWNULVLX-WMZOPIPTSA-N 426.525 1.463 30 10 IDEE N#CC1(C[C@@H](O)CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CCOCC1 1307562372 AAMIJQNOVZYNAP-QZTJIDSGSA-N 425.526 1.640 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1358989148 RIOIZTUFAIPCNX-UHFFFAOYSA-N 439.951 1.621 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)N2CCOCC2)CC1 1359045803 UOLCDJCFTRJSJC-UHFFFAOYSA-N 444.624 1.943 30 10 IDEE C=C(C)COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)C1 1359127230 LQMXYVBEUSHQRT-UHFFFAOYSA-N 447.565 1.076 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1359140681 IYINHJXGPFWQMW-HOTGVXAUSA-N 438.960 1.634 30 10 IDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359199674 CYBKVQMMYZVVOF-GOSISDBHSA-N 437.508 1.228 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359305026 QYEONYOEGLPMRS-IEBWSBKVSA-N 429.521 1.708 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1scnc1C 1359326536 CGTHDPJPGMSENW-UHFFFAOYSA-N 438.579 1.516 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1360475803 DSYHLIRDQXZNRA-NWDGAFQWSA-N 441.451 1.836 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2F)C[C@@H](C)O1 1441783496 LJZPDMKPGZPFII-OKILXGFUSA-N 429.452 1.280 30 10 IDEE C#CC[C@@]1(C(=O)N[C@H](CO)C(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1447200989 CENYVLCDTUGFTG-JPYJTQIMSA-N 430.501 2.000 30 10 IDEE COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1455532620 RULMEBGGGSXHKG-BUXKBTBVSA-N 436.461 1.992 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CCN2CCOCC2)cc1)c1cc[nH]n1 1464386990 YBRMFOMSDUNLBO-UHFFFAOYSA-N 429.477 1.207 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 1468735938 AYDDEKVRSQFMJK-UHFFFAOYSA-N 429.458 1.125 30 10 IDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1469673683 BJRDSWNLHGXRGO-UHFFFAOYSA-N 442.541 1.909 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)sc(C(N)=O)c1C 1473841544 KRHDOCAQKMEGNJ-UHFFFAOYSA-N 435.502 1.608 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1502913806 CSYIGLNKOGKWBB-ZWKOTPCHSA-N 443.504 1.790 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503301593 VQXSLDPNZJQVQK-NGFNCXNUSA-N 430.534 1.476 30 10 IDEE CN(C)CCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1503398627 BBIRXHKOUKWAKM-PZJWPPBQSA-N 440.548 1.890 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(OC(F)F)c1 1505002159 WQRDXQVNMLNRQN-UKRRQHHQSA-N 438.435 1.776 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1507553274 CZWNGJTZNRLGAP-UHFFFAOYSA-N 433.520 1.789 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1507627242 RJMPAVLYSHGDPN-GOSISDBHSA-N 445.545 1.107 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCC 1507644267 DRIICPYAEHSPIB-QFIPXVFZSA-N 443.573 1.819 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(Cl)cn2)CC1 1507725296 SKJJQOIGZNFMCF-UHFFFAOYSA-N 426.912 1.561 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(C)COCCO2)CC1 1507732891 UUWQXRNGAHUWQD-QHCPKHFHSA-N 441.532 1.426 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1507790609 BDCUJQUIHRJCTF-MJGOQNOKSA-N 440.552 1.514 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)cc2)CC1 1507896079 GWXMLPIUAHTGIZ-CQSZACIVSA-N 432.550 1.438 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1507967422 GZZCHTGMXGFPIG-LBPRGKRZSA-N 441.941 1.983 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1507997618 CEQZFJJSNAGDQV-ZCNNSNEGSA-N 441.532 1.970 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)OC(C)(C)C1 1508075874 XWFWOCXNMCVMPF-HNNXBMFYSA-N 437.508 1.227 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1508081211 VQEYQEMUXGGYNE-UHFFFAOYSA-N 442.568 1.456 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(O)c2)CC1 1508086463 ZEWRGBNMHCLHKG-UHFFFAOYSA-N 433.516 1.598 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508137690 QDVIVYXEMBPMKI-QGZVFWFLSA-N 446.577 1.684 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1508138232 YTRWQKALZLILEW-GJZGRUSLSA-N 441.579 1.199 30 10 IDEE Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1510531186 CUNYRIXRCNOKPO-QZQOTICOSA-N 437.504 1.805 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1515122381 MZWGTWNPPFBIAO-SJORKVTESA-N 440.460 1.369 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1517445950 APGZRVMTJZKQBN-YCRPNKLZSA-N 430.509 1.650 30 10 IDEE Cc1cc(NC(=O)c2ccc(I)cc2-n2cnnn2)nn1CCC#N 1527510440 MOEJPXURZSWWRP-UHFFFAOYSA-N 448.228 1.938 30 10 IDEE CC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)nn1 1534268295 HAKZEHBROVUSJK-PYCFMQQDSA-N 432.506 1.712 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N(CCOC)Cc2ccc(C#N)cc2)[C@H]1c1ccnn1C 1537075482 KQKQPKMOXXXSQD-RTWAWAEBSA-N 425.489 1.255 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539154800 NQDBFEQYRPONDS-UTKZUKDTSA-N 430.530 1.756 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1539221531 PJZKWSGSUQSDFD-MSOLQXFVSA-N 432.550 1.352 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539632395 RGAXTZLUAAMUJG-YLJYHZDGSA-N 444.580 1.385 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 1539758516 OFYFTAPNCNZKQA-UHFFFAOYSA-N 432.569 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1CSC 1540897592 NGEOOQZXITZXKQ-OAHLLOKOSA-N 427.596 1.447 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1540909679 NCELXNCUAWVTBP-IJEWVQPXSA-N 429.612 1.811 30 10 IDEE Cc1ccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1542246310 FBIBYINPCURTRO-INIZCTEOSA-N 436.451 1.341 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1cnn(-c2ccc(Br)cc2)n1 1542438757 UUJGKZMMHINBOW-UHFFFAOYSA-N 433.310 1.718 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1 1544878214 RSPFWTDZDQXPHJ-INIZCTEOSA-N 439.534 1.869 30 10 IDEE C#CCN(CC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C(=O)OC(C)(C)C 1545318144 REEAWRLWMXUDCX-SFHVURJKSA-N 431.489 1.796 30 10 IDEE CNC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1554486753 CZVQFIWRTHYRIN-UHFFFAOYSA-N 430.516 1.598 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1555691364 PXVPSUZGQRCMQT-NFBKMPQASA-N 440.548 1.515 30 10 IDEE CS[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1555832436 HOQRQIMTNWMMFX-MRXNPFEDSA-N 440.577 1.859 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1558124406 OTYDDQPBVVFAHI-QGZVFWFLSA-N 441.557 1.293 30 10 IDEE Cc1nsc(N2CCN(CC(=O)NCc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1559876847 HFRFEXIYDVQYOR-UHFFFAOYSA-N 433.559 1.165 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c(=O)nc1O 1564745768 DYOITMCIXNOHFZ-CQSZACIVSA-N 433.266 1.429 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1585923580 APBCRYXNVRYJPK-QGZVFWFLSA-N 444.536 1.452 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1587808138 NMEHPEZJEICLLU-HNNXBMFYSA-N 427.596 1.404 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1588054690 PLBXXQUDJZCLFW-ZWKOTPCHSA-N 432.550 1.064 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1588058904 FHUMRJJHORVUPF-RBUKOAKNSA-N 449.621 1.752 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OC 1588126801 BKWFMKLRKCYZEJ-QGZVFWFLSA-N 430.473 1.990 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588149358 PBRUXVZEPPCGPF-SFHVURJKSA-N 432.450 1.600 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1588224375 XMCNLLNPPOZNTF-VXKWHMMOSA-N 446.555 1.593 30 10 IDEE C#CCSCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1589125612 MBTGHDXBOHQIBP-IBGZPJMESA-N 442.607 1.310 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCOC2)C1 1594783866 KLOPQTRTHDZIFM-OAQYLSRUSA-N 428.493 1.514 30 10 IDEE CC(C)Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1603589786 XYLOQDHEALFQLI-FZFLATATSA-N 429.525 1.095 30 10 IDEE CN(C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1616240053 ZAGHNOHFCHOBJP-QGZVFWFLSA-N 438.550 1.092 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1618107357 BSFFJGLAZZUIIV-KRWDZBQOSA-N 432.550 1.571 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[S@@](=O)C(C)(C)C 1618346866 CNJFHZWQNZTOQD-MUUNZHRXSA-N 437.591 1.845 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)c1 1619354079 CBGYBZUNQLDSEZ-QUCCMNQESA-N 426.521 1.529 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1619539043 FMGLMPGUNACWIL-ZWKOTPCHSA-N 433.534 1.349 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC([C@H](F)C(N)=O)CC1)CCCC2 1620501343 BTAQZFUUIUFGFL-KKSFZXQISA-N 445.539 1.891 30 10 IDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1622810545 OOSVDHUYZXDAIB-HXUWFJFHSA-N 436.516 1.264 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 1623075571 OLVXHBMQDAVWOC-UHFFFAOYSA-N 439.497 1.968 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 1626966636 JWACIUSKTHFYQL-UHFFFAOYSA-N 433.434 1.457 30 10 IDEE C#CCN(C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1627711472 RHYLGKAMMFZPEG-INIZCTEOSA-N 435.506 1.001 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1628662776 RNJWSJBVZQCGMI-ROUUACIJSA-N 430.505 1.566 30 10 IDEE CCOCCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H](C)C1 1629011474 WYTSBXFPOGAAMS-BEFAXECRSA-N 425.526 1.990 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CCN2C1=O 1630758381 QHCVBQHCYVDRLZ-YZEMWESSSA-N 445.520 1.268 30 10 IDEE C=CCC[C@H](CO)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1635342135 BPWPZNYUALMAEK-OAHLLOKOSA-N 437.518 1.212 30 10 IDEE C#CCN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1CCN(C(=O)OC(C)(C)C)CC1 1638330962 HJKFJFFNEYZENK-PSBWJHGTSA-N 445.516 1.010 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@](C)(CO)Cc1ccc(Cl)cc1 1643894085 XAPXWRYPOIZHGH-JLTOFOAXSA-N 435.933 1.988 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1644429548 WSZGOQHRCDINIZ-UHFFFAOYSA-N 448.541 1.235 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1644558760 YRPGBEFKMVPQRR-OAHLLOKOSA-N 428.489 1.762 30 10 IDEE C[C@@H]1CSCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1649573030 RTLDUNMNWOQEDH-RMYFCYLKSA-N 425.518 1.808 30 10 IDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nc3ncc(Br)cn3n2)C1=O 1651789509 IYUSDGYXCDDBNP-KRWDZBQOSA-N 426.234 1.726 30 10 IDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccncc1 1654407195 BXMZARWVVXMFIL-AVRDEDQJSA-N 441.557 1.920 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1654604203 PGUVEMLJSPZHMP-TVFCKZIOSA-N 449.552 1.509 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 1654975323 AUWUFRVUQLERNE-QGZVFWFLSA-N 431.537 1.297 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CO1 1672358924 VYGLKOUQMUIWMD-DLBZAZTESA-N 429.477 1.509 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)c1 1676741142 HGZDKWIAAIIDCT-UHFFFAOYSA-N 433.559 1.731 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 1680191234 GSEVZJGSQCJNTN-AWEZNQCLSA-N 432.468 1.604 30 10 IDEE N#Cc1cn(CCNC(=O)NCc2cc(F)c(F)cc2Br)c(=O)nc1O 1680946386 MGVALIATVWIYPT-UHFFFAOYSA-N 428.193 1.361 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCc4ccc(C)c(C#N)c4)CC3)C2=O)n(C)n1 1685107393 VSDABFMJSQCJHS-NRFANRHFSA-N 449.559 1.931 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1OC 1689847705 GMIQTHXQXMTXPI-ZDUSSCGKSA-N 425.493 1.817 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1689892887 PBWRGJMMBYHCNP-IBGZPJMESA-N 447.605 1.823 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1689993653 JAZLOSRWBKORKB-INIZCTEOSA-N 435.575 1.082 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690178650 DEUBESKWZVINSS-HXUWFJFHSA-N 426.590 1.789 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690235088 WPLYBKQFJLCFGJ-YRXWBPOGSA-N 433.553 1.735 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1690313440 UGBVJOZYYJNVIP-QGZVFWFLSA-N 425.599 1.740 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690717353 CSDXGMIPTFVRRE-KRWDZBQOSA-N 449.558 1.041 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1690749604 JNVWSOIMODQLHY-UHFFFAOYSA-N 432.594 1.768 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1690995727 MPNHITNNOLMZRK-GOEBONIOSA-N 445.549 1.070 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1693950107 DLCIKYKNUHJNRM-GDQOMYFMSA-N 446.596 1.976 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)CCO1 1694930663 DWGKGPBLSFWUEZ-NRFANRHFSA-N 437.548 1.596 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1694947982 KLQMEHVPVOHSGH-SAZZCXPWSA-N 430.509 1.661 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCNC(C)=O)CCOC1 1696024593 MZOCHUJFAWTHQV-QFIPXVFZSA-N 426.521 1.964 30 10 IDEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1696386299 LIDKEUOZAXBXGX-KBXCAEBGSA-N 428.534 1.537 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ncccc2F)CC1 1705532404 NFTQIJWOCSAFIL-QGZVFWFLSA-N 446.552 1.844 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705566754 PWJGCEFYVLTBPR-QZTJIDSGSA-N 430.530 1.466 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705567531 YMILSLOPOFBTIK-MRXNPFEDSA-N 449.602 1.812 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC2(C)C)CC1 1705645563 XVLQOXXPPYQJPA-JPYJTQIMSA-N 429.565 1.942 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2nccs2)CC1 1705647358 FWKJFYHXDAOMNI-UHFFFAOYSA-N 436.545 1.790 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705794750 SCTDXBMNPOLHBB-UHFFFAOYSA-N 440.552 1.590 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N(C)C 1705862238 CXULBHKDZUDRQD-UHFFFAOYSA-N 447.540 1.902 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC[C@H]1C 1712072376 OUUJUYWCZGCNCI-CRAIPNDOSA-N 432.550 1.569 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1712506192 GOPZWZDRGPYQGS-UHFFFAOYSA-N 441.536 1.333 30 10 IDEE COCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712618704 FDMDBFBLXSXLSK-HXUWFJFHSA-N 428.512 1.848 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 1722332041 CHQNHHSFJIQPJX-LJQANCHMSA-N 449.552 1.842 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1OC 1722393241 XMDHCZIXVSNDSE-CTNGQTDRSA-N 446.515 1.435 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722419950 DRDAEMIOBAXCQA-UWJYYQICSA-N 448.520 1.111 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722495288 WOEHIHQVIRGOBM-WDSOQIARSA-N 427.553 1.574 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1722506591 UACSWZITGXUMBW-UHFFFAOYSA-N 431.360 1.987 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1722688336 BVFRVZHFGJSYPG-KRWDZBQOSA-N 436.289 1.790 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722700207 AJRUTTYERMEFRX-HXOBKFHXSA-N 441.532 1.564 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1722706405 RAWYKGNQICAFAC-UHFFFAOYSA-N 442.568 1.665 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1722738386 IJYTYVRUABIBOO-INIZCTEOSA-N 429.612 1.911 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1722876744 WKVGAWIVENNOSP-JJRVBVJISA-N 430.534 1.353 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)C(C)C 1723596979 LGUBRLRALBSDFS-OAQYLSRUSA-N 427.509 1.358 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(C)(=O)=O)cc1OC 1728216423 BHLRDISFCZWNTB-MRXNPFEDSA-N 449.533 1.516 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1729181353 IMVKWLQDNOXAER-UHFFFAOYSA-N 444.561 1.746 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1729717208 ALUITAHBMQXFBA-QFIPXVFZSA-N 434.504 1.438 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1740553417 RYCFEVIERRQRJG-HKUYNNGSSA-N 447.561 1.456 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740676456 DAKNQNXMFMOWNW-ZWKOTPCHSA-N 432.521 1.996 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2CCCO)CC1 1740694006 VECVIJHEGYFQNN-HXUWFJFHSA-N 438.576 1.556 30 10 IDEE C#CCSCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723455 QCXOIADZYSJNKJ-SFTDATJTSA-N 433.578 1.402 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1740764416 FBPZZKWPEMTUBV-BCYZHJNNSA-N 433.553 1.685 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740794478 BPBLZAMMOBXOLW-ZACQAIPSSA-N 428.555 1.013 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740799348 JCCUVODTFVIVPE-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1748808854 HCAQMYUDWAGRSZ-QGZVFWFLSA-N 445.545 1.059 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1749038652 WAAQSUBPRJVOMA-HNNXBMFYSA-N 429.612 1.460 30 10 IDEE COc1ccccc1OCc1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc(C#N)o1 1749082405 NLYPFPGZLIBVHF-UHFFFAOYSA-N 445.501 1.859 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCNC(=O)C1CCC1 1749098262 ULYHKDVNISEPLR-CQSZACIVSA-N 439.358 1.880 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749268516 BZHFVIUJZRNCKC-JKSUJKDBSA-N 432.974 1.955 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1C 1749651554 XUMCBAYRRCDWTQ-CVEARBPZSA-N 434.566 1.696 30 10 IDEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749745586 ANARGUAZVNZBPU-INIZCTEOSA-N 446.964 1.665 30 10 IDEE COCCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1749917833 MMPLHNBFOIATAC-QGZVFWFLSA-N 442.520 1.664 30 10 IDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)C[C@@H](C)O2 1752321860 UGZWVTOCEFEXRR-IEGUWTFLSA-N 441.532 1.988 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760192429 ITAHCRLMGVDXRC-XUVXKRRUSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1760217904 QPERBOXFOBKCSF-QFIPXVFZSA-N 446.555 1.573 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2C[C@]2(O)CCOC2)n1 1760252887 SRTMWSQJHIZRJZ-JOCHJYFZSA-N 430.553 1.501 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1760288200 UVLHGISESQNAQR-IIBYNOLFSA-N 442.545 1.742 30 10 IDEE C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1760345154 LKYGHQWYBNPYFP-PMPSAXMXSA-N 437.566 1.858 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760524847 LERNPPUQKPZDAC-MRXNPFEDSA-N 441.486 1.626 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760525141 VVQGPXLTJIGITJ-CYBMUJFWSA-N 441.504 1.319 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760531847 BUGIPWFKJBCINV-RYRKJORJSA-N 449.577 1.709 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760553881 KTNLIBQSEXCURI-CYBMUJFWSA-N 435.472 1.261 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N1CCOCC1 1760734467 FURHJFYNBQQGLO-UHFFFAOYSA-N 438.536 1.028 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC(=O)N1 1761606030 PCJFITDLZSIYMP-UKRRQHHQSA-N 444.565 1.421 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC(C)(F)F 1763043558 FUAAEXNIFBGINC-KBPBESRZSA-N 445.478 1.651 30 10 IDEE CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1764809404 HUJFXJDMJZMXBX-INIZCTEOSA-N 426.502 1.790 30 10 IDEE CCSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766816923 LIHSCWJIILPYBA-HOCLYGCPSA-N 441.627 1.208 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1767796470 GGCFVIKDLHZXMA-OAHLLOKOSA-N 449.519 1.528 30 10 IDEE CN(C)[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCSC1 1768490867 IDBSWQKYYILHGZ-OAQYLSRUSA-N 441.561 1.102 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1769896050 GGCWZUFGOCXEDB-NRFANRHFSA-N 428.562 1.453 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(=O)N(C)C)c1 1770051926 QINLRDMKJIFKRM-APWZRJJASA-N 442.520 1.481 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)F)C1 1770730763 DWRGFUWQQFHLHO-KRWDZBQOSA-N 441.439 1.093 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1770745397 XLZUKJMURZJJAV-GOSISDBHSA-N 444.561 1.802 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](COC)C2)CC1=O 1771126484 FOVUUPSRLCDRFW-RBUKOAKNSA-N 438.532 1.784 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854518105 ZIIFKFNYAGWZNI-ZDUSSCGKSA-N 435.399 1.987 30 10 IDEE COc1cccc2sc(N3CC(C(=O)N4C[C@H](CN(C)CCC#N)CC4=O)C3)nc12 1855724698 IPQGHBKWPRKKRD-AWEZNQCLSA-N 427.530 1.962 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCc2ccco2)nc1C 1872706569 FIKOEJBNYGJBMH-UHFFFAOYSA-N 447.429 1.718 30 10 IDEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1cc(OC)c(OC)cc1OC 1874499502 SBRPVFVSSLPWTJ-UFFVCSGVSA-N 437.522 1.951 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(=O)n(C)[nH]c4c3)CC2)CC1 1889499435 UVUCPFMJXOHTLD-UHFFFAOYSA-N 439.560 1.129 30 10 IDEE Cc1cnc(NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2224095340 WDYUVGUGRMFCQR-UHFFFAOYSA-N 432.330 1.576 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC3CC(NC(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2243387520 VUGKXNPYUVYNDL-UHFFFAOYSA-N 440.309 1.896 30 10 IDEE C=C(CS(=O)(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2247901383 JSQPLBKUVAHINJ-OAHLLOKOSA-N 446.375 1.729 30 10 IDEE C=C(CS(=O)(=O)NC[C@]1(NC(=O)OC(C)(C)C)CCOC1)B1OC(C)(C)C(C)(C)O1 2247902670 WZMRCDOCDFSGHE-LJQANCHMSA-N 446.375 1.777 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626490 GQVVKHHAHMDCKO-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CC[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255799391 HVCIQFOIJPUPDH-QGZVFWFLSA-N 449.382 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2255831052 PJBGLLLSGPDRSS-VHDGCEQUSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255871215 SHGJYASISPCERK-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267215350 CPSKURJVNJORTF-OAHLLOKOSA-N 449.357 1.729 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267265939 MANCSLBZJWQDKC-JSGCOSHPSA-N 441.259 1.910 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267539071 YAVROGDSIWAWMK-AEFFLSMTSA-N 439.369 1.612 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267605133 KXPIMWDTOCMWBV-YCPHGPKFSA-N 444.341 1.761 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267607835 BOIPSVLHVIYZOP-WCQYABFASA-N 442.247 1.447 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2272632275 DUJIBCLRTPDGDS-PEBXRYMYSA-N 444.341 1.763 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1N(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2312860013 WIBSQAOBEPFDOQ-XPKDYRNWSA-N 432.330 1.837 30 10 IDEE Cc1cc(CNC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2343659570 SKRILEHXYJDBHI-UHFFFAOYSA-N 445.369 1.859 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CC)c3c(N)n(CCCC)c(=O)[nH]c3=O)cc2C1=O 24019633 GXUCETXEXUAHCH-UHFFFAOYSA-N 439.472 1.368 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1CCS(=O)(=O)C1 83812523 VGLOEEOXAKIMDH-NVXWUHKLSA-N 442.459 1.703 30 10 IDEE COc1cccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 441431110 CCRIXTGGHDVACS-UHFFFAOYSA-N 429.502 1.220 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cn1 462714363 FEYYUVKROMDASZ-FQEVSTJZSA-N 445.483 1.731 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1C[C@@H]1CCCO1 478744987 KEHJPPOLISCZMA-INIZCTEOSA-N 441.528 1.596 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(c4ccccc4)CC3)C2=O)cc1 479721469 RACNBUXDACYUOJ-QFIPXVFZSA-N 445.523 1.955 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCN(c3ccnc(C)n3)CC2)c(C#N)cn1CCOC 481455873 UCZCFJQKFBMGJD-UHFFFAOYSA-N 441.492 1.635 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 507610200 IKIRMYXILSKSOW-OAQYLSRUSA-N 433.530 1.851 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 514918164 SQLQXWWOMXNXEI-INIZCTEOSA-N 429.517 1.503 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccccc1 517065546 CNCRPEFUOANBPV-UHFFFAOYSA-N 432.505 1.167 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 523859963 PKZLSYNSFQIDES-UHFFFAOYSA-N 440.569 1.145 30 10 IDEE COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 525422275 QGPSDASNAKWYAD-UHFFFAOYSA-N 446.485 1.860 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C[C@@H]1CCCO1 532880576 JNDHZUNLOIVZAO-ZDUSSCGKSA-N 431.583 1.697 30 10 IDEE CN(C)C(=O)[C@H]1CN(C(=O)Cc2cccc(C#N)c2)CCN1C(=O)Cc1cccc(C#N)c1 532909409 BQPLAAVPNLXTJO-JOCHJYFZSA-N 443.507 1.343 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)CC2)n1 546874880 NDMFQZLEYFQOHN-UHFFFAOYSA-N 431.543 1.762 30 10 IDEE CN(C)C(=O)CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 549459506 IPGOBRGHCAEURE-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCC(=O)N(C)C)CC1 555263494 CPUBPVHFASEVQA-FQEVSTJZSA-N 440.548 1.967 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)s1 590914716 WWFPLBJSRLTXOS-OAHLLOKOSA-N 431.583 1.734 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@H]2C(F)(F)F)CC1 611179087 QYFTXPYMYHNFNA-HNNXBMFYSA-N 439.394 1.718 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(Cl)c2)c1=O 677302581 VTDBINXWEQTWKI-UHFFFAOYSA-N 447.919 1.663 30 10 IDEE C=CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 679494944 GFACKDVXZTZBBL-UHFFFAOYSA-N 437.562 1.235 30 10 IDEE CN1C(=O)N(CC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C(=O)C12CCCCC2 730403627 AOFKSELMDLDWOI-UHFFFAOYSA-N 438.893 1.613 30 10 IDEE CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 732706031 BWIYKFTZCPNBDU-INIZCTEOSA-N 431.924 1.863 30 10 IDEE C#CCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 744031014 HSPAGYMOLSDKJL-UHFFFAOYSA-N 446.437 1.847 30 10 IDEE C[C@H](CC(=O)N(C)Cc1cn(C)nc1C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 749921406 OAWMLQFOERUAMY-LLVKDONJSA-N 443.451 1.915 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C(=O)OC)sc2ccccc12 751022051 ZLQFEFUJSMJCPK-GFCCVEGCSA-N 427.525 1.499 30 10 IDEE COC[C@](C)(CO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 751542036 AKKWFKBHSYJCCN-WDUNQMNWSA-N 426.539 1.799 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NOCc2ccc(F)cc2)cc1 755561972 AZDBVVNNDAZKDE-MOHJPFBDSA-N 448.476 1.825 30 10 IDEE C#CCN(C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 757905076 PYIAGCOVSMOIRK-KGLIPLIRSA-N 429.325 1.995 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1C[C@H]1CCCO1 760378688 STNJTYHPZRNNIU-CYBMUJFWSA-N 430.555 1.062 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 760921727 RHRFKFQPOWZXMH-GOEBONIOSA-N 435.550 1.060 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCS(=O)(=O)CC2CC2)C1=O 764860538 NVVDVNAKFUHFAE-OAHLLOKOSA-N 427.523 1.718 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCN1CCN(c2cccc(Cl)c2)CC1 766982434 CODGEGNURUBLMZ-VXPUYCOJSA-N 446.939 1.288 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(-c3ccccc3C)c2=O)cn1 772286061 XRDLJOOYDASGNI-UHFFFAOYSA-N 433.537 1.924 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 777005903 SOBAIVZQBKZVRV-OAHLLOKOSA-N 438.525 1.984 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1C#N 785560399 NOBMCPLRDCVFAD-OAQYLSRUSA-N 436.512 1.681 30 10 IDEE Cn1cc(C#N)cc1C(=O)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 788056189 IQTBOPWVDKJWAS-UHFFFAOYSA-N 431.199 1.825 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)n1 788333408 ZDZJAFFZINUDLH-SFHVURJKSA-N 426.473 1.314 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1 788811477 VVOUOMYDWHGMJZ-UHFFFAOYSA-N 439.428 1.367 30 10 IDEE C[C@@]1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCN(C(=O)OCc2ccccc2)C1 794221076 DRXOALNGOWNERS-SHQVNNEXSA-N 426.473 1.820 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(CC#N)CC2)cn1 797426409 UDZVTNOISZFTFX-INIZCTEOSA-N 431.566 1.596 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(F)F)CC1 808759059 LDEYHOAQXIRRBY-DLBZAZTESA-N 443.539 1.865 30 10 IDEE COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 838230896 AGNXCPNPFGAPHQ-UHFFFAOYSA-N 437.525 1.255 30 10 IDEE Cc1cc(C)nc(-n2nc(C)c(CC(=O)NS(=O)(=O)Cc3ccccc3C#N)c2C)n1 916178254 PKYJUXVUHSTAEG-UHFFFAOYSA-N 438.513 1.956 30 10 IDEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O 916902518 HFGSUKLRDDUYTP-NSHDSACASA-N 428.836 1.448 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(OC)c3O)n2N)cc1 1084101139 KUYVGHCVDBEKMT-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134650067 YIJVYLSITILRFT-FABXCBLPSA-N 429.951 1.553 30 10 IDEE C#CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)CC1 1143054537 YHDVVKHLBMJHBF-JVCXIRSZSA-N 438.571 1.252 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](c3cc(O)nc(O)n3)C2)CC1 1171665803 HHIGZLTVCNXKLY-VQIMIIECSA-N 440.479 1.225 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOc4ccccc4[C@H]3CO)C2=O)cc1 1178769887 OYXJNGKVQMCAEK-RTBURBONSA-N 434.452 1.718 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1211915420 AUDLWIGZJIPFBA-YPMHNXCESA-N 426.463 1.671 30 10 IDEE CN(C)C[C@@](C)(C#N)NC(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 1271757536 JOOFQJHQQUSIKY-JOCHJYFZSA-N 440.573 1.921 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1286361122 LLMSJXNXWTUOKJ-KGLIPLIRSA-N 428.559 1.261 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286394047 MWRWXRJBFSDOJM-LJQANCHMSA-N 441.557 1.710 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCS(=O)(=O)Cc1ccccc1 1286409927 UATDEWQQYWIRDP-UHFFFAOYSA-N 434.525 1.813 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1286418230 DDIUYNGQZAJTAY-UHFFFAOYSA-N 443.454 1.868 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286480688 ZCPYFCNLKRRUOJ-KRWDZBQOSA-N 445.568 1.241 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 1286699976 JBBFMMWNEQAREV-QFBILLFUSA-N 427.571 1.583 30 10 IDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286756456 MWUZVVFUIHWIEY-OAHLLOKOSA-N 448.549 1.466 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1286785142 GECXLQYTUDUWPP-INIZCTEOSA-N 438.561 1.982 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286785995 LZEQHLHCHDVOHB-UHFFFAOYSA-N 429.569 1.966 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286790746 WHXMUBZWMLOAHV-FQEVSTJZSA-N 439.564 1.115 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CC2)cc1 1286795673 DAGKTIZTLYCJCO-IBGZPJMESA-N 447.561 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1286821357 IDPKVXNIYGVKOK-RBUKOAKNSA-N 431.562 1.728 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCCCCC1 1288839607 CGAPVBXUUMARHN-YLJYHZDGSA-N 437.614 1.894 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1290247288 LWIZLYASTBIIQR-INIZCTEOSA-N 426.336 1.195 30 10 IDEE CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1290644756 WHPAXBGLROOJQJ-OAHLLOKOSA-N 426.336 1.793 30 10 IDEE O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 1290954423 LJPANVHBEGZEMG-XCVCLJGOSA-N 438.415 1.927 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nnnn3CC2)c1 1291722601 RDNBIXRODFRPKR-GUYLDNPGSA-N 445.549 1.857 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1300491224 FFIKSWLMKUSFPG-WMZOPIPTSA-N 449.577 1.205 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301501305 UYCFHVQQWNTVFC-ROUUACIJSA-N 445.568 1.404 30 10 IDEE Cc1ccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c(=O)n1C 1304364235 NOSPXCXDOIALSC-VXKWHMMOSA-N 444.511 1.816 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCC2)n1CCOCCN(C)C 1305122194 MJOLCMOQTIEGSN-QGZVFWFLSA-N 439.568 1.501 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1305631497 IOZNFPHUWGGILY-HJPURHCSSA-N 435.532 1.980 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 1307991111 JDRLILUMLDDGQY-LSDHHAIUSA-N 439.559 1.539 30 10 IDEE C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C(=O)N1c1cnn(C)c1 1309249461 IAXRBSUHMAYIGT-HZMBPMFUSA-N 438.307 1.527 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1314938996 SYWSTIWSCUHCBE-UHFFFAOYSA-N 427.509 1.908 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1315903835 BZFALDPNTZKBQO-ZWKOTPCHSA-N 444.561 1.571 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1315982274 SWRWKELUFSOPDW-WVBUVRCRSA-N 429.521 1.723 30 10 IDEE COCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1349137665 SUUVAOWBAMTVAD-HZPDHXFCSA-N 431.555 1.626 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)[C@H]1c1nccn1C 1358035821 OUKXJXYLTQTSAG-XIRDDKMYSA-N 446.305 1.852 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N(C)C 1358876084 BWMDKTOFTHKBIB-HNNXBMFYSA-N 432.550 1.132 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1358890855 WIQCGHBCXUWUED-WBVHZDCISA-N 432.546 1.898 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1358949182 UTQLYIRXPUURHY-GOSISDBHSA-N 439.545 1.495 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1359018141 FUVOXRKBLDGJIX-UHFFFAOYSA-N 434.541 1.467 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359054528 YOLUTTYEYGVXEA-IBGZPJMESA-N 441.605 1.393 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1359070217 IGLOUJHEHWBCEW-VQIMIIECSA-N 439.557 1.885 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1359106944 XUHLQBMCKNYNGI-PJVZLEMVSA-N 433.553 1.650 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359126093 FTEJPKGWUKVALU-NJNPRVFISA-N 433.553 1.880 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359331031 KZRRGOMURSGVTL-UHFFFAOYSA-N 441.561 1.898 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1359601599 BNIXXBFDVIGXDM-UHFFFAOYSA-N 426.521 1.982 30 10 IDEE Cn1nc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1Cl 1441008296 HEOZEQPYLGETPQ-UHFFFAOYSA-N 428.301 1.745 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1453581903 KCKNMJFWQSAFDI-UHFFFAOYSA-N 441.509 1.861 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1455202395 ICWKZDBLLDLIKS-OAHLLOKOSA-N 429.970 1.723 30 10 IDEE Cc1c(C#N)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)nn1C 1461173212 KPJDYMJUNGGLOD-UHFFFAOYSA-N 426.296 1.865 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(O)(CN3CCOCC3)CC2)CC1 1466341942 JMXWIGNNAKKMAY-UHFFFAOYSA-N 435.565 1.323 30 10 IDEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1468165124 JTFSIWDAAPSCTB-UHFFFAOYSA-N 430.482 1.455 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 1477725316 ANEMNWUIWVWTFL-UHFFFAOYSA-N 432.528 1.739 30 10 IDEE CN(c1cccc(CNC(=O)N2CCN(c3ccccc3C#N)CC2)c1)S(C)(=O)=O 1479544443 JZAAYBKVIYXAMZ-UHFFFAOYSA-N 427.530 1.986 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1507533364 KCNJEHADRUZQCA-RYQLBKOJSA-N 426.521 1.662 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(C)noc2C)c1 1507549845 ACKHJNRQOONUMT-IBGZPJMESA-N 447.499 1.939 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1507588300 ITBLWUXBLYMGPQ-OAHLLOKOSA-N 431.509 1.506 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507624564 BNXXMCQOCGXVFY-AEFFLSMTSA-N 432.546 1.863 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N(C)C 1507657690 WYBMJJQJQDYDOJ-UHFFFAOYSA-N 447.587 1.194 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)[C@@H]1CC 1507746766 FQHFNSYTBCAKQC-INIZCTEOSA-N 427.530 1.798 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1507771845 DYZDVLTWHRVWTQ-DYESRHJHSA-N 442.545 1.574 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507847910 RTMRRJGCZDZKEA-WIYYLYMNSA-N 430.597 1.812 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCN1CCCO 1507980108 FCHSXTUDSSDJEZ-HXUWFJFHSA-N 440.596 1.921 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1)C1CC1 1507994107 WVNYCFXLIOWMGS-INIZCTEOSA-N 425.555 1.071 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1508389409 KFHNETUEVKVQQI-FQEVSTJZSA-N 437.548 1.501 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1512552712 IADCXRRRKRKYPX-SJORKVTESA-N 446.577 1.407 30 10 IDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1513458975 DLZXAUSYDOFXKE-ILXRZTDVSA-N 433.513 1.261 30 10 IDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1515718205 NPOOBNQRJIOKHK-SFHVURJKSA-N 438.598 1.974 30 10 IDEE COCCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1=O 1519217223 NRXYIUZULZLQCX-UHFFFAOYSA-N 441.517 1.442 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1519343173 CKVZQZSZFMBQKE-LAUBAEHRSA-N 446.552 1.571 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)n1 1524968239 MNJSSQUOESXTDY-UHFFFAOYSA-N 428.489 1.309 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O 1534938657 QTYZYWPJGFWRHD-AWEZNQCLSA-N 427.288 1.689 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3nccc(C(F)(F)F)n3)C2=O)cc1 1536322233 NNLVSXXERSEFJE-CYBMUJFWSA-N 432.362 1.888 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1cccc(C#N)c1Br 1537740854 NOMOTIPPHYJPPF-UHFFFAOYSA-N 443.301 1.825 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1539068379 UGLFHTZVMGWCNG-MRXNPFEDSA-N 433.516 1.662 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1539102294 WBYWLIKBQVUBRW-QGZVFWFLSA-N 445.545 1.608 30 10 IDEE CS(=O)(=O)c1ccc(OCCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1539118016 DIVVRZULBIHNOA-HNAYVOBHSA-N 440.543 1.036 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1539489850 PHZNCXWKKZGWII-UHFFFAOYSA-N 443.552 1.741 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539524564 INMVVGNKAXXANA-KRWDZBQOSA-N 434.587 1.889 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539615018 FBLWWBBCLBJDAF-YZIUBNRHSA-N 433.553 1.842 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1539744157 DGCVFJQNKLCXCY-ROUUACIJSA-N 429.525 1.616 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1539828111 FGXWQILHPBQWKR-OAHLLOKOSA-N 442.549 1.878 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540869152 CZLLFKKWCUKMNJ-GOSISDBHSA-N 439.564 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540900383 TWIARVRLPWWEDT-ICSRJNTNSA-N 445.589 1.703 30 10 IDEE CC(C)NC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1541116010 IDAZRTNJBZQJFK-INIZCTEOSA-N 425.541 1.573 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1541657243 FCBOZBGUPKBDRX-LIRRHRJNSA-N 443.474 1.214 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)CCOC1 1541733553 RTBWMDUTNOXRRT-XMSQKQJNSA-N 441.536 1.557 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541814031 FVZFKFFOMAAJOE-ATQAJOFPSA-N 429.525 1.237 30 10 IDEE C[C@@]1(N2CCOCC2)CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1542021336 XAGARIPIBUBMDG-OAQYLSRUSA-N 444.561 1.162 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1545684724 CMTJDBYUGXMSJC-KHYOSLBOSA-N 439.586 1.323 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1547795202 FIOYEOFKBSDQEB-UHFFFAOYSA-N 435.492 1.777 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)C1 1554356225 HBYVQWBFETXLND-HSZRJFAPSA-N 437.548 1.365 30 10 IDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1555573089 LAXKDCMMUDCCHA-HMFYCAOWSA-N 430.553 1.797 30 10 IDEE CS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555818703 DWYQOHRJCNLWRU-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1557095509 PBNBYSXFSYAXNB-MRXNPFEDSA-N 449.305 1.037 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCC#C[C@@H]1CCCCO1 1558750304 BZTWGLFLNVNEDZ-AWEZNQCLSA-N 434.436 1.942 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)CC1 1562258878 GXBMWLFSIDXWRO-UHFFFAOYSA-N 437.522 1.508 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(c2ncccc2C#N)CC1 1565458623 HNGISLDTQWWNQK-UHFFFAOYSA-N 433.509 1.160 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1584296425 HTYOTAYIZOYGGU-DENIHFKCSA-N 436.487 1.550 30 10 IDEE C#CC[C@]1(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1587724325 XCOIZYTXLBUMPJ-GAJHUEQPSA-N 432.565 1.591 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1588139627 QHQDRGSKDJZVOE-OAHLLOKOSA-N 435.600 1.892 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1588385617 IXRNRTXUDVWBBW-HXUWFJFHSA-N 438.557 1.933 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1589089719 WRAMYZZUDMMFFM-KRWDZBQOSA-N 437.573 1.975 30 10 IDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593747040 QCTOPUQDLDUFJQ-MRXNPFEDSA-N 430.557 1.991 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1593768483 FIUYLKWMJOQVSA-TZIWHRDSSA-N 448.612 1.786 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1595219750 XNKYPAWPBMBAQE-IAGOWNOFSA-N 441.598 1.851 30 10 IDEE CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598483884 QHMILRQEAUHBPN-BWZBUEFSSA-N 432.333 1.944 30 10 IDEE CC(C)CCN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1606925197 XPRVZJDQVRDROL-FMQUCBEESA-N 429.525 1.409 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCCC2)CCO1 1618692759 FZPPITYYTICYEV-HXUWFJFHSA-N 437.548 1.644 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1620099763 NEURZQNZOLORHA-DRMAHVMPSA-N 441.529 1.269 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C1 1627790096 KHFXDOLEABVVMK-HXUWFJFHSA-N 427.526 1.604 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)CC1 1631699886 POQMRAFEVGBXED-OAQYLSRUSA-N 441.557 1.469 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2CCC(S(C)(=O)=O)CC2)C1 1634108971 UAWLLGDCWPVMGP-KNIAUWFNSA-N 428.555 1.648 30 10 IDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1634515027 LIWIGACAPBPYQI-UZLBHIALSA-N 445.520 1.646 30 10 IDEE CON(C)C[C@H](O)Cn1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cn1 1636419888 WGNNLKYISSYIDY-SFHVURJKSA-N 430.484 1.603 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)n1 1638488623 AUNKGEWJMCPOER-PZJWPPBQSA-N 445.470 1.925 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(S(C)(=O)=O)CCC3)C2)C1 1640045391 JOKVMOHJVHJMIY-HVEKOLDVSA-N 425.551 1.857 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1643022950 BWMOKYPBLMJPOC-SJORKVTESA-N 439.534 1.251 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 1643372464 MTQBEYBWYPTNKM-AWEZNQCLSA-N 433.452 1.376 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@@H]2CO)CC1 1647757208 JIARFRLXWYUKCH-MOPGFXCFSA-N 432.590 1.710 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CCO2)cc1 1647999011 XAUYHUNZEFVMFP-KRWDZBQOSA-N 425.470 1.313 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1649584737 QRQMUEHGLAOAOL-IEBWSBKVSA-N 438.532 1.995 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)c(=O)c1C#N 1650978733 IGGLRGOVAZJISW-JSGCOSHPSA-N 440.294 1.870 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1658184219 SWBRDNNGZODKEC-WBVHZDCISA-N 425.507 1.571 30 10 IDEE C=CC[C@H](CO)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1661703375 ITZXORFHQPZLTG-SNVBAGLBSA-N 439.271 1.602 30 10 IDEE COCCc1noc(CN(C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)n1 1662816842 FQLQVMOWAIBHND-UHFFFAOYSA-N 433.259 1.852 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)nn1 1669875339 QWXZDKPWJFSVQU-UHFFFAOYSA-N 431.440 1.554 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1674054900 ADVOAEUMUXDOJS-UHFFFAOYSA-N 448.593 1.093 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2)cn1 1676125617 JOYZNBFSLCMPIQ-UHFFFAOYSA-N 447.543 1.687 30 10 IDEE C#CCN(C(=O)NCC1CCS(=O)(=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1681029851 XJQMVWUKAJNKKK-UHFFFAOYSA-N 427.567 1.856 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1681943767 SOAPSQNUCWUCTN-NCOADZHNSA-N 443.566 1.396 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)cc1 1687162337 BXDUCXHCHYKCSV-UHFFFAOYSA-N 431.493 1.372 30 10 IDEE C#CCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1689941955 YOEKIQJOOMVSLT-HSZRJFAPSA-N 435.532 1.937 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1689966631 XPAVAEWTIYVRJK-LDSGZGKSSA-N 434.456 1.386 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1689991220 YNZAIQNGEQJQCE-ROUUACIJSA-N 449.577 1.205 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)CCOC)CC1 1690150744 STQCZOKDHVRPLT-HSZRJFAPSA-N 431.581 1.764 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1690246991 YMLCLSQBCKIKHN-JZXOWHBKSA-N 432.550 1.588 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCOCC2)CC1 1690417165 HLLNYBABEOXWLC-ICSRJNTNSA-N 433.553 1.653 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(c2ncccc2F)CC1 1690668036 QIJQTDMHGSYOIF-UHFFFAOYSA-N 436.495 1.893 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/CC)C1 1690699555 GRBBYJBXTFHXAL-NGHLMZTLSA-N 425.555 1.359 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690723026 FKAFVRJCDNCEQQ-HXUWFJFHSA-N 446.533 1.280 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1693397998 QBYRWVKEHKOWLQ-CYBMUJFWSA-N 446.537 1.388 30 10 IDEE Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693473697 FBMBHYLCKYNQTO-VXPUYCOJSA-N 449.515 1.136 30 10 IDEE CCC(O)(CC)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1694418735 DENOTBWEAJWPQW-QGZVFWFLSA-N 442.568 1.573 30 10 IDEE CN(C(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1696570526 HUVKOEIOBDDBSD-NRFANRHFSA-N 431.516 1.634 30 10 IDEE COC[C@H](F)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1697789312 WJMBCIXILIKLTO-LVQVYYBASA-N 438.504 1.762 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2CCCO)CC1 1698494200 HNDPRWIDRIHTCS-LJQANCHMSA-N 429.569 1.377 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)NC1CC1 1705489439 PMPIXCZNHWMVCG-OAHLLOKOSA-N 443.577 1.755 30 10 IDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705532356 MMJMRNWFUJADAA-UXHICEINSA-N 428.581 1.718 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705736244 OVVANHPSSZQCBR-QGZVFWFLSA-N 440.552 1.117 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705904320 MCUIOCOZJQIYBS-KRWDZBQOSA-N 431.585 1.751 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1705922650 QHMFBAQBPZCOSU-NSHGMRRFSA-N 429.569 1.959 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1708241502 OLIIDTICDUYISF-MGTMEOADSA-N 432.550 1.986 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)C[C@H]1O 1711459932 MPIKIVATVRSSFK-MCYKXBRJSA-N 439.516 1.992 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1712303380 GPHRKLIOXCLHEF-DENIHFKCSA-N 427.505 1.741 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1 1722446566 DKOCOLUKQLCSIL-MRXNPFEDSA-N 436.438 1.972 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1722461422 OJYYPFQSQLBTRR-IAGOWNOFSA-N 441.623 1.460 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@H]1CC 1722500224 QSWLBCAYTLLMHH-LFDJNIOPSA-N 433.553 1.698 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722628691 YYWRQTANWRMXCV-RTBURBONSA-N 432.569 1.371 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C)C1CC1 1722650436 APURDKUNZSPYLT-LPHOPBHVSA-N 427.571 1.173 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1722679979 RSMQOSDLAUJOPG-UHFFFAOYSA-N 433.509 1.576 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCNC(=O)[C@H]1CC 1722696216 FOGRDIKNQNCYLA-OAHLLOKOSA-N 447.337 1.725 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@]2(CCOC2)C1 1722702037 JADARZIQRMCKAG-HSZRJFAPSA-N 441.532 1.772 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722703371 ZRHHCMHCCXSVSL-TVKQPGBESA-N 444.580 1.556 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(OC)nc1OC 1727652507 HYBLKHXFOVXFAM-SFHVURJKSA-N 447.499 1.992 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)OC 1730472967 HIUHOCOYELLHBL-MAUKXSAKSA-N 428.493 1.057 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCCS1(=O)=O 1730831675 QDYNHNSQCSVGRO-INIZCTEOSA-N 440.570 1.168 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(N2CCOCC2)CC1 1740614780 FCKKOBLSNCCBCG-HDICACEKSA-N 444.580 1.983 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N(C)C)CCSC1 1740641078 CKIYNAKRAQZYKL-NRFANRHFSA-N 442.614 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1740649649 ZDNFOKUMBVYZHJ-OAHLLOKOSA-N 435.500 1.872 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1740799027 FKWOZLLDYABICT-NRFANRHFSA-N 437.541 1.801 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1740951146 QIAPYMMDYJEMEU-IRXDYDNUSA-N 430.553 1.600 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1740986955 LQKSOHUXEROWQW-UHFFFAOYSA-N 433.534 1.646 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)CC1 1741006143 YUOZPAMBVYOVSY-UHFFFAOYSA-N 434.591 1.891 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746713224 HEBCSZUKYNBEJO-YCRPNKLZSA-N 428.493 1.535 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OCC)c1 1748641069 ZDEJQGDLYVPWJV-LSDHHAIUSA-N 435.550 1.802 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1748789656 NYQXTEALWXMXBU-QAPCUYQASA-N 431.518 1.284 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1748819997 WROKLLHDCGBMAK-LJQANCHMSA-N 445.589 1.953 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCC(F)(F)F)CC1 1749000849 BMIBZTJLHKYXSK-UHFFFAOYSA-N 428.459 1.725 30 10 IDEE C#CCSCCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(=O)NC)C1 1749047018 MQNOVBZNCOQACI-LJQANCHMSA-N 443.573 1.737 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749456712 KOKWRHKSQDAYPG-DLBZAZTESA-N 427.571 1.235 30 10 IDEE CC(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750046443 YQKNUQUUTKACOS-HXUWFJFHSA-N 437.548 1.602 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1F 1751141293 BTSIFRCVKORXAN-PMPSAXMXSA-N 449.508 1.516 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1760129740 XKMOFLOGYMWGBH-QGZVFWFLSA-N 448.568 1.950 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760186696 FLGBHKFZBONVLI-CVEARBPZSA-N 435.575 1.846 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS(=O)(=O)C1 1760195950 BWJOZBOKLDRJFV-INIZCTEOSA-N 427.486 1.751 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCCn1cc(CO)nn1 1760199917 MXPRRQSIVYZUMH-UHFFFAOYSA-N 426.484 1.740 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCCC2)CC1 1760272015 VVOKWZMFRYVIDC-UHFFFAOYSA-N 449.559 1.275 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760464143 AQCIBDRUHZHOIN-CVEARBPZSA-N 446.581 1.303 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 1760465130 XMCGDJPQVSSUSQ-KGLIPLIRSA-N 433.625 1.082 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760554652 JFCUYWXCBMVWFN-KRWDZBQOSA-N 425.599 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760555684 KNTULJNVUOUOPF-MSOLQXFVSA-N 439.582 1.473 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760693053 GIBFFMKZXTZNGH-RLLQIKCJSA-N 437.548 1.899 30 10 IDEE CCC[C@](C)(O)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1763754939 GWDOFEQHTZHANJ-KKSFZXQISA-N 428.541 1.742 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763805698 FMQFUBPAUOOBDG-FEOCEEMKSA-N 444.536 1.702 30 10 IDEE CCCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1766072920 CPQYIMUDDMTAAF-RVKKMQEKSA-N 427.550 1.062 30 10 IDEE CNC(=O)CCn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@@]1(OC(C)C)CCOC1 1769339320 JKOPRSNLZKZLTL-JOCHJYFZSA-N 426.521 1.963 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCC1 1769844703 CAJHBENBDBOWMJ-HNNXBMFYSA-N 427.596 1.832 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1769879017 FWBJJXICCSZLOV-VGSWGCGISA-N 437.479 1.754 30 10 IDEE COCCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1771040726 SXSDJGMXHHXURH-FQEVSTJZSA-N 433.488 1.416 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCCN2CCOC2=O)CCO1 1771538797 IBJSPBYSEVSOEI-OAHLLOKOSA-N 430.440 1.567 30 10 IDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)[C@H]1CCN(C)C1=O 1852959909 LUMDUTXEIXRKCI-DLBZAZTESA-N 427.954 1.888 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCCN2CCOCC2)c2ccc(C)n2C)c(C)c1 1853422328 AZPWGXSBLPPXTC-UHFFFAOYSA-N 434.562 1.939 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(F)c(F)c3F)C(=O)O2)CC1 1856652714 CYTYDDMNSATOGH-CYBMUJFWSA-N 431.392 1.630 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)CC1=O 1856802472 HRJGJSPKSSZKGY-ZWKOTPCHSA-N 434.514 1.448 30 10 IDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869929638 JXULZRZMOCTNQG-LJQANCHMSA-N 442.541 1.861 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1C(=O)O 1874337511 MDOAZRKDKNMDQR-SCDDIDHTSA-N 445.501 1.848 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[C@@H]3C#CCN(C)C)OCC(=O)N2C(C)C)cc1 1889997657 MVIOWGNLJNTAQS-PMOQBDJRSA-N 427.545 1.928 30 10 IDEE C#C[C@@H]1CC12CCN(C(=O)c1cc3c(=O)n(C)c(=O)n(C)c3n1Cc1ccccc1)CC2 1891083248 WFFRIBPCNNXICQ-GOSISDBHSA-N 430.508 1.963 30 10 IDEE COc1ccc2nc(N3CC(C(=O)N(C)C4CN(c5nccnc5C#N)C4)C3)sc2c1 1891449682 YMOYFWRPLQIABJ-UHFFFAOYSA-N 435.513 1.750 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060624274 WRKBTRNKPSRMGT-UONOGXRCSA-N 436.293 1.919 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2136170678 IVIFTKVOGMHTJA-IHRRRGAJSA-N 426.267 1.600 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2184059142 IVTTZJUPCSRYDS-KKUMJFAQSA-N 440.294 1.990 30 10 IDEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255623686 QLFAZLKAUJHXRS-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255810947 GWALXQRQDXNNLZ-HOTGVXAUSA-N 433.314 1.091 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255831105 QHJWMFKVBMJUGK-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256062123 QOLXQHPLMXQNAR-YEJXKQKISA-N 430.314 1.515 30 10 IDEE CN(Cc1ccccc1)[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2267118124 IDZRHAIACDTQHM-SFHVURJKSA-N 439.369 1.755 30 10 IDEE Cn1cc(C(=O)NCCc2nccn2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267186620 MDHRRXLERLWEBI-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)n1 2267187547 ZNXQJCFFRUQBHZ-OAHLLOKOSA-N 449.357 1.647 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 2267275348 MWKMJDSXVIHYAD-ZIAGYGMSSA-N 447.345 1.196 30 10 IDEE C[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267590342 NOGFNQUVQRMGOX-OCCSQVGLSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267870879 JEGANPYYPPCHJL-LSDHHAIUSA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267883367 DOBPZAGNTWSUAG-NRFANRHFSA-N 448.329 1.189 30 10 IDEE C=CCO[C@@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270539022 ABRFRNRRXIXKAT-IAGOWNOFSA-N 426.491 1.061 30 10 IDEE N#Cc1ccc2c(c1)N(S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)CC2 2286038109 HFNVGSURMXLQBZ-KRWDZBQOSA-N 429.454 1.630 30 10 IDEE COc1[nH]c(=N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339787929 IHAYGSYSGKFTOB-HZPDHXFCSA-N 449.357 1.594 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](CC(N)=O)C1 2343293153 PYVOKCQTFUAULM-HNNXBMFYSA-N 446.357 1.682 30 10 IDEE CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1 15756336 UTPDLXHEWMRQBW-UHFFFAOYSA-N 436.515 1.318 30 10 IDEE CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OS(=O)(=O)c1ccc(C)cc1 32107174 BBWKTKLCLZHSJW-RLLAOZKESA-N 436.482 1.915 30 10 IDEE COC(=O)[C@H](C)CN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)Cc1ccccc1 60333763 ZXNDRYAJEFKAKD-QGZVFWFLSA-N 439.516 1.815 30 10 IDEE COc1cnc(C#N)c2[nH]cc(C(=O)C(=O)N3CCN(c4nncc5ccccc45)CC3)c12 202251837 FZIDQXPKMBJLOO-UHFFFAOYSA-N 441.451 1.918 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cc(OC)ncn3)CC2)cc1 461975180 YUNFPECYWPBKAV-UHFFFAOYSA-N 446.533 1.646 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)CC1 471431486 NRNVLOMMCTZWQK-GOSISDBHSA-N 440.525 1.786 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1 473762102 KLMYYSJDBKEGLS-UHFFFAOYSA-N 437.566 1.121 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCC[C@@H]3CN3CCOCC3)C2=O)cc1 488246837 ISAJONBRCARVPS-NHCUHLMSSA-N 425.533 1.555 30 10 IDEE C=CCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)NC(=O)NCc1ccccc1 507325116 IPPBUAQXKMJRNP-UHFFFAOYSA-N 437.500 1.526 30 10 IDEE CC1CCC(NC(=O)CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 513787241 VSBNETJJAMPMEH-UHFFFAOYSA-N 432.590 1.644 30 10 IDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 520226873 WNFACKAYNQDMMT-LJQANCHMSA-N 428.514 1.308 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 542075581 SQFCVOXUJBLYFD-CYBMUJFWSA-N 429.868 1.256 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N 553544612 KEKBUHWIJRRQHO-ZJUUUORDSA-N 432.296 1.055 30 10 IDEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 583150384 LMSQEZUHXXOBFZ-AZUAARDMSA-N 434.468 1.676 30 10 IDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 584867345 UMEXHJLOMWKCAK-LJQANCHMSA-N 440.548 1.262 30 10 IDEE C[C@H](C(=O)N1CCC[C@H](NC(=O)c2cccc(C#N)c2)C1)N1C(=O)c2ccccc2C1=O 586053407 IECYPBGUGBELJG-QAPCUYQASA-N 430.464 1.964 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C 603799369 MVNIPLDIVPLZJE-UHFFFAOYSA-N 437.496 1.612 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 603799709 RXDDTYULFHXGFZ-OAHLLOKOSA-N 433.480 1.395 30 10 IDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCc1ccc(C#N)cc1F 611182690 AVWPYBHFUPOLJX-UHFFFAOYSA-N 427.479 1.946 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 612389098 CMPWBVNSVRELGR-QGZVFWFLSA-N 435.488 1.846 30 10 IDEE COc1ccc(C[C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 730227154 VNRYXSATEWGQLM-CQSZACIVSA-N 431.514 1.880 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)c3cccc(Cl)c3)C2=O)cc1 733853046 CTIJRMBSMIGTGL-INIZCTEOSA-N 446.872 1.922 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 737304925 DJBOENIAIXSQCA-VZCXRCSSSA-N 432.436 1.499 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(SC)cc1OC 741239322 PNUMHAVMVIPSSX-HNNXBMFYSA-N 443.550 1.855 30 10 IDEE Cc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC[C@@H]2CCOC2)c1 755449380 VEHCUKURQZLEMM-MRXNPFEDSA-N 443.525 1.765 30 10 IDEE C=CCn1c(CCN2CCCCC2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 760413131 AKFVXNDUQCZYQW-UHFFFAOYSA-N 449.669 1.682 30 10 IDEE CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760553031 UVDXXURQIXRYLL-QHCPKHFHSA-N 434.500 1.899 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 760572792 RBEJFMPMZCKUAD-KRWDZBQOSA-N 438.575 1.222 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 762610839 CNALVXYIOZVMSS-UKRRQHHQSA-N 436.534 1.487 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767746513 PNYPTLCAENSWPB-XYTVBORESA-N 435.521 2.000 30 10 IDEE Cc1cccc(C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771529398 GELGGHKCNUUKHU-OAHLLOKOSA-N 427.534 1.670 30 10 IDEE C#CCN(C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 774047981 HVKOBDJHMHGHHG-ROUUACIJSA-N 434.518 1.641 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)N(C)CC)c1 774302508 DRBVORBGIUHGSY-GOSISDBHSA-N 443.573 1.146 30 10 IDEE COC(=O)c1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1Br 775382274 HBXRKCBTOHLHDT-PFONDFGASA-N 437.250 1.884 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)[C@@H]1CCS(=O)(=O)C1 776183672 VFJMFUYSBXJMKR-UKRRQHHQSA-N 443.447 1.643 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1 777610129 RNOMXRCXWVUKFZ-UZYVYHOESA-N 437.547 1.907 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 780206017 ONFVAMAQHDNINJ-HXUWFJFHSA-N 445.497 1.804 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)COc4cccc(C#N)c4)CC3)C2=O)n(C)n1 780562295 XJASOSZCZKYUIU-HXUWFJFHSA-N 436.516 1.319 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCC2CS(=O)(=O)C2)C1=O 786690380 TZZCDMHOTGXHNC-VVHCWVASSA-N 429.589 1.680 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2ccc(Br)s2)n1 788810801 JPTDURCLFIRZGF-UHFFFAOYSA-N 439.335 1.745 30 10 IDEE N#C[C@@H]1CN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCN1C1CC1 789308512 DMIYUFCYORGVRN-WIYYLYMNSA-N 443.523 1.225 30 10 IDEE CCCn1c(COC(=O)[C@@H](C)n2cnc(C#N)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 798745622 UNOYDRPFUGEASI-CYBMUJFWSA-N 445.505 1.464 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc4cccnc34)n2CCOC)CC1 802445581 RTEGRXDWCMKESE-UHFFFAOYSA-N 435.532 1.564 30 10 IDEE C[C@H](OCC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1nccn1C 805894526 KRXSTPWKNUSZDJ-JTQLQIEISA-N 427.280 1.637 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCC[C@H]2n2cc(C(=O)OC)nn2)c1 816069936 BZHIQCQYHXRXPI-QZTJIDSGSA-N 448.501 1.870 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCN3CCc4ccccc43)cc2C1=O 918812069 CNZYVCUVMLQMSD-UHFFFAOYSA-N 433.464 1.804 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 1131256702 FFKHZLBABKGNPE-OALUTQOASA-N 435.502 1.683 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21 1142585967 GXMSEYRZXNYKNR-HNNXBMFYSA-N 435.322 1.949 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C1CCOCC1)C1(CO)CCC1 1143572899 BAKUBXYJMDCMNU-DNVCBOLYSA-N 435.546 1.299 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2ccc(Br)cc2C)CC1 1152967266 CSLLEYKPDOCAJF-UHFFFAOYSA-N 446.392 1.461 30 10 IDEE O=C(CSc1ncccc1C(=O)N[C@@H]1CCN(O)C1=O)Nc1ccc2c(c1)OCO2 1159324282 GSCSHSRKPZAYMQ-CYBMUJFWSA-N 430.442 1.261 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)s1 1163988420 RGIBODLSTAAICF-AUUYWEPGSA-N 426.560 1.947 30 10 IDEE CCOc1ccc(NC(=O)CN2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N(CC)CC 1176577921 HJDVAEHWBDMVLY-HXUWFJFHSA-N 438.550 1.669 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1177758458 ACTRVXAKAALGGF-QKNQBKEWSA-N 433.574 1.148 30 10 IDEE Cc1cc(N(CCC#N)C(=O)CN2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)ccc1Cl 1198573277 MQWPBNOKRUJQCF-SFHVURJKSA-N 443.939 1.768 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1219095703 MNCZEZVJTRMQLX-HNNXBMFYSA-N 429.564 1.970 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)nn1 1230271561 HOVWKCYJFNWOFX-KRWDZBQOSA-N 432.550 1.673 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1286377624 ZRTZWOXZTIRVGE-MRXNPFEDSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(CC)n1CCN1c2ccccc2C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286392856 HRHQLRWMKDPQSG-HKUYNNGSSA-N 427.574 1.918 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2COCCO2)n1 1286472459 YBDLRSBTWSDZIV-QUCCMNQESA-N 444.536 1.070 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)CC1 1286546001 FADXGKLZUDDCDU-WBVHZDCISA-N 439.582 1.413 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCO2)CC1 1286646030 LFAJSVINHZRKFG-VQIMIIECSA-N 425.555 1.337 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286683178 LEJQGQXUIAAUGX-GJYPPUQNSA-N 427.571 1.629 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286713915 HGHAVWGHFLSCHY-RBUKOAKNSA-N 432.569 1.150 30 10 IDEE C=CCn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286777603 IHJHIBCLFUGXED-XLIONFOSSA-N 441.598 1.613 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1286782732 DVRSOYNARUFIBM-UHFFFAOYSA-N 444.923 1.720 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1286816337 HOVPWWNMIPRMKF-SFHVURJKSA-N 431.562 1.959 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1Cc1ccc(C#N)o1 1288809074 QKFQZIOMRMBPIK-LSDHHAIUSA-N 448.549 1.533 30 10 IDEE CN(C)Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1288929417 HBIUULUAXVVYTB-UHFFFAOYSA-N 447.586 1.793 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN(C)S(=O)(=O)c2cccs2)c1 1295254924 YPRQMVARQQQXBP-UHFFFAOYSA-N 440.568 1.596 30 10 IDEE Cc1nc([C@@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c2cnn(C)c2)no1 1298588470 IWGZKFHGDFPSLH-SFHVURJKSA-N 428.493 1.968 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300505980 LGVPUGJOSITPHI-RTBURBONSA-N 446.577 1.660 30 10 IDEE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1300634215 PHEIZNLVPCASNM-DOTOQJQBSA-N 428.514 1.629 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN2CCCO)CC1 1300701256 MKDGOAMGQNWUAP-JOCHJYFZSA-N 440.567 1.610 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C)cc2OCCOC)CC1 1300716876 UEBDIUJFLCURNV-UHFFFAOYSA-N 425.533 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)SC)CC1 1300729091 MTJOARPCCMHVGU-QGZVFWFLSA-N 429.594 1.857 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1300989861 RQGDHPFSNFFBND-KRWDZBQOSA-N 442.582 1.608 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1300990234 CVZLPCAWIJKKOT-IAGOWNOFSA-N 429.525 1.972 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1301367519 POUNMVMOZBHLMS-GBESFXJTSA-N 443.596 1.595 30 10 IDEE COCCN(CCC#N)c1nnc(C2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301806887 WZZVFXSTAFYLKV-ROUUACIJSA-N 436.582 1.726 30 10 IDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1303026502 NDURMTCXWOJNLB-UHFFFAOYSA-N 426.922 1.351 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1305224220 QXRUNJNVSJGMIN-HKUYNNGSSA-N 437.548 1.880 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1312663121 XZCWEMYBWBBGPO-CYBMUJFWSA-N 434.356 1.662 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1314727139 PZBKMCWPVRKSPP-RTBURBONSA-N 444.561 1.919 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)C(=O)C2)CCOC1 1315268466 DBRXZGCBALCCOJ-HSZRJFAPSA-N 438.532 1.927 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)c2)NC(=O)NC1=O 1318201724 BUUWCTITAULMFN-JOCHJYFZSA-N 433.472 1.040 30 10 IDEE C#CCN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1358761715 VMKJPVOWFPOUJL-FUGAYHEQSA-N 426.557 1.925 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1358870599 PPDACESDSQZXCW-MRXNPFEDSA-N 432.550 1.497 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@@H]1C 1358948416 BZHJETZUYSYGEJ-KSZLIROESA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1358960195 ZFLCKXMNPSNQOG-NQIIRXRSSA-N 432.546 1.359 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358961320 WISUHFJKMVEJMH-LNLFQRSKSA-N 433.578 1.971 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1358994323 KGKAKGKKHMKLFY-ZVVDCOBXSA-N 430.574 1.584 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2csc(COC)n2)CC1 1359039920 AWUCOJDNMJZCAS-LPHOPBHVSA-N 446.577 1.409 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2CC(OCC)C2)CC1 1359043935 OIKFUAZFLQXWBK-UHFFFAOYSA-N 439.564 1.850 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1359044836 PROIPNWEPJEBDA-DYESRHJHSA-N 437.544 1.849 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359143039 SNUQOBOQVOIQAD-ZIAGYGMSSA-N 432.978 1.382 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1359227579 FMOONHDCQDNOLX-MSOLQXFVSA-N 447.561 1.826 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359301804 LNEUWXXYSFCYOL-UHFFFAOYSA-N 432.554 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359332012 MLIIQTQLUSCZOP-ZWKOTPCHSA-N 441.598 1.277 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1359639614 JRXWDEUPPQVTMT-UHFFFAOYSA-N 432.550 1.460 30 10 IDEE CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1445034114 GDGAYCMNMCWICO-MGPWXQLLSA-N 444.454 1.942 30 10 IDEE Cn1cc(Br)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1=O 1447487809 SGYDTCUGHMFQOF-ZWNOBZJWSA-N 425.283 1.637 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 1452026421 JCGUAWRJPDKVAG-KRWDZBQOSA-N 427.526 1.863 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1456222064 QBZQJECRQRCHRM-SOZUMNATSA-N 440.547 1.739 30 10 IDEE COC(=O)Nc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(C(F)(F)F)c1 1457201073 ONZJCQTUQHXHRV-UHFFFAOYSA-N 437.334 1.715 30 10 IDEE N#C[C@@]12CN(CC(=O)Nc3ccccc3I)C[C@H]1CS(=O)(=O)C2 1460824836 SFAYXZWOSBOMBN-NHYWBVRUSA-N 445.282 1.100 30 10 IDEE N#Cc1cn(CC(=O)NCc2ccc(I)cc2Cl)c(=O)nc1O 1467389922 OZKYMBGWSXWEFD-UHFFFAOYSA-N 444.616 1.395 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2cncc(Br)c2)cc1 1471072461 HHNMNCBFADYOTI-UHFFFAOYSA-N 436.287 1.368 30 10 IDEE C[C@@H](CC#N)N(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1473273989 VCDNXHDVQXGVNF-NWRYFCBHSA-N 446.554 1.967 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1499942521 CCILHTHHSDTOIV-HMFYCAOWSA-N 427.505 1.728 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1499949975 SKNQAPVGRRYXSX-JBYIUTFZSA-N 427.505 1.728 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1502122848 KDKXFDPIDDNRNC-QQMHEVNUSA-N 439.520 1.815 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1503367174 HISUTJPQIGYCKD-QGZVFWFLSA-N 430.534 1.167 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1503851541 YTWVZUPOZWFIRX-AMGRQBIBSA-N 444.536 1.783 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1505003053 YAAAPLCOBVELBN-HOTGVXAUSA-N 438.529 1.598 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1507630220 UWLUXCOUDHSAIB-KRWDZBQOSA-N 425.518 1.254 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507756513 VURGZIKMUODTRJ-YLJYHZDGSA-N 430.622 1.586 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)CN(C)C)CCO1 1508373347 AUBCJIDTJAVTHR-FQEVSTJZSA-N 439.564 1.746 30 10 IDEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)C(C)C 1515718572 BRDXHGQXZQKOSM-WOJBJXKFSA-N 440.548 1.907 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1516875930 AIYKDPWCZLIIGO-AAFFQKGLSA-N 445.501 1.611 30 10 IDEE CN(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1517018569 OEBOZSSRTZPXBP-LJQANCHMSA-N 435.529 1.290 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CC1 1521115448 VXVVOAMAOCUMBN-QGZVFWFLSA-N 437.566 1.506 30 10 IDEE C=CCn1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)nn1 1529543572 FRAAPUDHXAGOOX-GOSISDBHSA-N 447.293 1.310 30 10 IDEE COc1cccc(C[C@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)n2nnnc2C)c1 1534876346 BKOFUPYQODLVOV-JOCHJYFZSA-N 431.500 1.994 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@@H]1C 1539002567 UZZBQECMXZXKMS-IRXDYDNUSA-N 445.593 1.417 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1539125915 QDQKIPFWMJIOIK-HNNXBMFYSA-N 448.376 1.924 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539222314 VLPNYAJAGGGYQG-WOJBJXKFSA-N 444.557 1.626 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1539296819 UQUUDEDCADNUGU-AWEZNQCLSA-N 443.558 1.404 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)C(C)C)CC1 1539469635 SMSZSAZTNXCHDO-XXBNENTESA-N 447.580 1.567 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(COC)CCC2)CC1 1539848987 SHJBZBMIAKZQHN-KRWDZBQOSA-N 439.582 1.584 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1540070792 ACBASCMKOQBWJT-GOSISDBHSA-N 435.550 1.450 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540876048 GCVYEBADKAZFFD-ZMSDIMECSA-N 439.582 1.122 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(OC)CC2)C1 1540884113 KDAMJXYWAJFFKB-FCCDEINASA-N 441.598 1.875 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1541888770 JZZHWOXYQNMLKL-ZDUSSCGKSA-N 427.477 1.968 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 1543348819 YGJPPBWGPYWNGS-FUHWJXTLSA-N 448.545 1.543 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN(C[C@@H]4CCOC4)CC3)C2=O)cc1 1544028631 WBUDJEOROOTSPF-PXNSSMCTSA-N 439.516 1.380 30 10 IDEE C#CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1564764212 BBVUWQOXDFAWEY-KGLIPLIRSA-N 435.493 1.463 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)nn1 1564958355 PEKYOCAFPOJQEF-DLBZAZTESA-N 430.513 1.400 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1584305721 FYFJHRUMLRHVPZ-AWEZNQCLSA-N 437.497 1.457 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C)c(C)c3C#N)CC2)cc1 1584807887 RDJKVGBXSCLBAY-UHFFFAOYSA-N 429.502 1.842 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(N4CC[C@H](O)C4)CC3)C2)C1 1585071327 JWSMRCTVUUZCBB-WQASXFKFSA-N 432.565 1.831 30 10 IDEE CN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ncc(I)cn1 1586462742 AHOKIYOQKGUAIT-GFCCVEGCSA-N 447.236 1.969 30 10 IDEE C#CCN(c1nnc(C)n1CCNc1nccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1588034760 LNGBOHXVIPBXOY-CYBMUJFWSA-N 443.455 1.134 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588045821 RERGHQLLEDOKKZ-XMSQKQJNSA-N 444.557 1.686 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1 1588276689 VSSLIQJXLCIFCA-UHFFFAOYSA-N 426.550 1.788 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1588574363 FZQNKCPXAMGLQD-IAGOWNOFSA-N 440.614 1.095 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1588694607 AQNGYYZHGFTKRS-CALCHBBNSA-N 444.540 1.427 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1595115382 ICABJJRGCMHKDT-WIYYLYMNSA-N 432.546 1.524 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1595497246 UYVGHWATESPYFX-ZDUSSCGKSA-N 434.447 1.516 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1595569361 FWRVFDQMALMVSI-LJQANCHMSA-N 438.532 1.751 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCCCCC1 1595759508 FUTXMMOQVUGIEP-HNNXBMFYSA-N 433.600 1.260 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1606966001 CGYNWQLASNVRTR-UHFFFAOYSA-N 431.541 1.025 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1617180609 YAJNUASUHSXNPL-SFHVURJKSA-N 437.504 1.620 30 10 IDEE CCOCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1617235304 LYCOOCXTNBMGBM-UHFFFAOYSA-N 440.548 1.802 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC[C@@H]1C 1620111430 URBUGCBYMWKCJN-HAGHYFMRSA-N 432.569 1.995 30 10 IDEE CC(C)C[C@H](NC(=O)COc1cccc(Br)c1C#N)C(=O)NCCN(C)C 1624463289 LNARXGNRUJVQIG-INIZCTEOSA-N 439.354 1.908 30 10 IDEE C=CC[S@@](=O)(=NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 1640208900 YHRSXXOUNOSETC-LJAQVGFWSA-N 449.554 1.906 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(S(C)(=O)=O)CCCCC1 1640590587 IFPZJHJJFJIJMA-AWEZNQCLSA-N 427.548 1.089 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1645502638 GPQGELCVMLTGBI-TWMKSMIVSA-N 428.551 1.110 30 10 IDEE C[C@](O)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(F)c(Br)c1 1646440142 XLFINKUZFJUIIS-XZJROXQQSA-N 431.283 1.192 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@]3(O)CCN(Cc4ccccc4)C3)CC2)cc1 1652861382 ABIXYFVNBKHNIR-QHCPKHFHSA-N 440.569 1.502 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2csc(CC(=O)Nc3ccccc3C)n2)CC1 1653160169 MQDPENGZMZXLSR-UHFFFAOYSA-N 447.586 1.218 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OC 1661653234 KXQNIZYBKAVDQR-LLVKDONJSA-N 436.280 1.258 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(Br)cc2CC(=O)OC)nn1 1664907182 PSPADCPXWREGBH-UHFFFAOYSA-N 443.323 1.811 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1690046576 DMNGBHYUCLBKBK-WMZHIEFXSA-N 440.569 1.941 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1690077084 IHCJPWWAZBARNO-IRXDYDNUSA-N 432.550 1.040 30 10 IDEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690436858 ZZDVVZFRVZNBMJ-UHFFFAOYSA-N 430.597 1.814 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C)C(=O)C1 1690663178 OOMSKQJSQPWYCK-UHFFFAOYSA-N 439.339 1.350 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3CCC(=O)N[C@H]3C2)cc1 1690678460 WSYXDRKRRWAQBL-MJGOQNOKSA-N 438.532 1.744 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693399357 YJYJRVKZXXTUKB-QZQOTICOSA-N 438.536 1.744 30 10 IDEE CCOCc1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1696290532 SBWSPZYGAWLBSZ-QGZVFWFLSA-N 427.465 1.094 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1697780956 DHKUGMAIUTVRNJ-ROUUACIJSA-N 429.500 1.750 30 10 IDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1698030645 BIQZTQDVAOCXHU-OAQYLSRUSA-N 429.525 1.714 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCSCC2)CCO1 1698492222 CYMGYXNVPLBOKX-HNNXBMFYSA-N 447.590 1.047 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705479730 KZHANADQNGAKQC-VFNWGFHPSA-N 440.529 1.343 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705514052 IMRZDOLVUUEZAK-UHFFFAOYSA-N 431.566 1.789 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1705598512 KZJGNECNYVLCRH-IBGZPJMESA-N 445.520 1.261 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CC1 1705628754 OERYTWREGDGBRR-VPTFNQTCSA-N 430.530 1.788 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N(C)C)nc2)CC1 1705634565 BDYYJVYJAMTCIP-SFHVURJKSA-N 427.553 1.267 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705732641 GOCPWFSPTRAXLI-QGZVFWFLSA-N 434.566 1.698 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1 1705936479 RKFDWFLVQCHRBD-GOSISDBHSA-N 437.610 1.838 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CC=CCC1 1706888097 XASHQLTYZCHNHB-BQFCYCMXSA-N 433.582 1.421 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCC1(F)F 1706889103 CTVOBSRSQDMMCV-MELADBBJSA-N 432.497 1.443 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1709424063 RACUFDAFYHYVFW-XUTLUUPISA-N 441.536 1.567 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1709902658 VKJYSSLAIMZVAZ-ZDUSSCGKSA-N 433.310 1.915 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1722297388 ZPUDWSKLWIXQSI-MJGOQNOKSA-N 431.562 1.620 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722358362 AVNHJBQOLHWVDK-FUHWJXTLSA-N 430.530 1.617 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1722360402 GWJVUTMOVBUMDT-OAHLLOKOSA-N 430.490 1.083 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722362116 SHNZESUVKUZKKI-QZTJIDSGSA-N 430.578 1.632 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1722397150 NUNZACVDHDXPHE-SFHVURJKSA-N 442.541 1.709 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1722418967 JOUHOXKSIFXQEE-INIZCTEOSA-N 442.486 1.484 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1722461757 PXTOKNOESVIYNL-HZPDHXFCSA-N 427.596 1.214 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1723778544 GUDBXKZNJINJEZ-GRDNDAEWSA-N 439.476 1.517 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1724017626 CXUHHUIGRNOBIE-HRAATJIYSA-N 442.545 1.343 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726909760 RFYYXONWAAMWFQ-WKJNRGSKSA-N 432.525 1.558 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCS1(=O)=O 1729033333 HYPAEODKZOTRAZ-MRXNPFEDSA-N 446.533 1.317 30 10 IDEE CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729163811 YZKBQEFCJQPLDL-MRXNPFEDSA-N 429.550 1.483 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1729232181 BQPCSZBAYVYAKM-ACSYHNTCSA-N 447.586 1.600 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCN(CC)C1 1740610858 NJGAZGJGOWIGAH-MSOLQXFVSA-N 432.569 1.998 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740616873 ICXHQTVMQMZWTR-WIYYLYMNSA-N 438.594 1.992 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740621312 LLECDIBMNKICNB-GOSISDBHSA-N 439.541 1.989 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1740622533 ZEWKLVQLOTXFTG-CVEARBPZSA-N 434.493 1.126 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1740623662 YSLFEHUIRBXKBY-XPQZIERPSA-N 436.578 1.492 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1740628259 WUZIQYBMMGXSBN-RTBURBONSA-N 446.577 1.463 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1740709059 ISCQOFYEBMSUAJ-GDBMZVCRSA-N 439.563 1.426 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1740762677 VMHTWBPBDRAIAK-KSZLIROESA-N 441.598 1.827 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1740887579 DHTQREKEZMPTKH-VQIMIIECSA-N 427.571 1.488 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)C1 1740980799 MXQDDLHHJZDVBU-GKWFENNMSA-N 444.623 1.509 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)O)CC2)c1C#N 1742669637 OZVKJTBUBDGJGV-UHFFFAOYSA-N 440.577 1.942 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1747529632 NDWYLDYAGDUEJI-MJGOQNOKSA-N 435.532 1.648 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)CC1 1748229085 HBDRCJMIZHPFHX-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2cn(C3COC3)nn2)c1 1748694658 KRXICXGYDUCVGJ-UHFFFAOYSA-N 448.531 1.744 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1748791559 VTAOOSCADWVCNL-OALUTQOASA-N 437.610 1.387 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1748808926 JBCOKNMIKHHAFU-SLFFLAALSA-N 444.557 1.623 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1748926329 SXPUXXYBNWXHJT-AZUAARDMSA-N 445.589 1.951 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749209402 WXQLDXLJPOBFPT-HBFSDRIKSA-N 434.585 1.615 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C(C)C 1749574651 BIIAUIRDRMMBHS-APWZRJJASA-N 427.571 1.196 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749651189 PHKWHHRWZGTCED-GJZGRUSLSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)c2ccccc2)CC1 1749668964 BAXZWMUHUGVQBB-IBGZPJMESA-N 437.548 1.637 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749753872 BKJZYAKWBMCHPB-MSOLQXFVSA-N 434.610 1.697 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1750196130 XGJCCTHKQYCGKN-GOSISDBHSA-N 426.502 1.790 30 10 IDEE Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1751863966 JRKNSBHWYHCOCN-ZBEGNZNMSA-N 442.546 1.123 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760170356 ZCVRYNLAOUEEOZ-QGZVFWFLSA-N 439.545 1.482 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760189326 HPOCPDCXJJGAGL-INIZCTEOSA-N 447.527 1.742 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1760259251 JAJTZQFYRBQZME-WENCNXQZSA-N 427.574 1.464 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1760280792 JAOYOJZURUEJTQ-MRXNPFEDSA-N 439.607 1.358 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCCC1 1760337839 WQNARCTYBQRRSL-GOSISDBHSA-N 440.614 1.499 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760452522 FKOUSMWZYYZIIT-LJQANCHMSA-N 432.569 1.467 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1760488509 XKXAATBTEBWYDK-UHFFFAOYSA-N 444.561 1.513 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760564484 AMPYZHIRWPZWSF-HNNXBMFYSA-N 442.611 1.009 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760565825 FRIIESIRNWVJCA-HOCLYGCPSA-N 427.596 1.156 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1766742403 UYRQEOZNWYULGI-WKRVVKTRSA-N 442.589 1.886 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)C1 1767896091 VEUJERBCDWLPAK-FQEVSTJZSA-N 438.532 1.928 30 10 IDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1OC 1768663780 GMQOGRCNIFSJOK-HUUCEWRRSA-N 442.476 1.032 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H](C)O1 1769490521 DXOOTPCPXRQTPN-JWKLYUKHSA-N 427.505 1.597 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1770445426 HOXOOONZEQTILB-JOCHJYFZSA-N 435.463 1.862 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1OC 1771337272 DNHKMALZPNKAIO-KDURUIRLSA-N 445.545 1.492 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1772564647 QCCZOYQLITVOHG-PMACEKPBSA-N 445.589 1.876 30 10 IDEE CN(C[C@H]1CCC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 1853949295 XIHBKRYIGPNCIF-CVEARBPZSA-N 437.949 1.904 30 10 IDEE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)nn1C 1867104272 YYFNPNGTTSWKLC-GOSISDBHSA-N 437.431 1.836 30 10 IDEE CCCCN(CCO)C(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869927783 AQMGDBLDOQHALX-LJQANCHMSA-N 429.542 1.957 30 10 IDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2cc(OC)cc(OC)c2)cc1=O 1871004519 JOLAUERJHQHHFN-UHFFFAOYSA-N 427.501 1.822 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccc(O)c1 1874433658 RCOSELKGEXWIGU-DNTJNYDQSA-N 431.503 1.689 30 10 IDEE CN(Cc1csc(C#CCO)c1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2145937075 HQRGDGKWPHXENP-UHFFFAOYSA-N 446.550 1.930 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2245014490 NTTKNVWVDXZICP-UHFFFAOYSA-N 433.452 1.248 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)co2)OC1(C)C 2255534154 CSDHYACKNZKHIV-IBGZPJMESA-N 425.338 1.783 30 10 IDEE CC(C)(C)OC(=O)N1CCNC(=O)CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2255601025 DDHYBCFEKNQUCG-UHFFFAOYSA-N 435.330 1.207 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255827813 NEMMKGVFGPGWRK-LLVKDONJSA-N 430.236 1.240 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255840449 MTQKYVCBAASPDO-MRXNPFEDSA-N 425.342 1.461 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2255881244 SWFNUIPWAHMRBH-BETUJISGSA-N 435.334 1.147 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@@H]1OCc1ccccc1 2255941773 KDBXGROSHGMSDP-MSOLQXFVSA-N 447.366 1.745 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2258230757 BOWJBIOMOFZFHQ-UHFFFAOYSA-N 428.220 1.059 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2259345178 DIDYTTKDFPWLBG-DZGCQCFKSA-N 434.346 1.752 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527473 ICTQJETXYHWSHY-RCDICMHDSA-N 446.357 1.767 30 10 IDEE Cn1nc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1B1OC(C)(C)C(C)(C)O1 2267548421 RTAKRGAXOQFDKL-UHFFFAOYSA-N 444.263 1.250 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)COC1 2267602835 SEBRCQPTTFNRCD-UHFFFAOYSA-N 448.329 1.047 30 10 IDEE CON(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2267882361 RKFLNGZPFRCZQQ-CQSZACIVSA-N 448.329 1.789 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282545782 SQOSYNSMCWJWLA-GFCCVEGCSA-N 425.722 1.788 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C[C@H]1NC(=O)OC(C)(C)C 2315530936 BZLPIMNEXMZHOZ-UONOGXRCSA-N 434.346 1.705 30 10 IDEE C[C@@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2319291391 RERIDXKPCFTSBH-AWEZNQCLSA-N 449.338 1.383 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C2(NC(=O)OC(C)(C)C)CC2)C1 2337200462 IHBAKZMBEKLGJZ-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CCOC(=O)CNC(=O)CSc1nnc(/N=C(\O)c2ccc([N+](=O)[O-])cc2)s1 8823043 UWKDWPVBSBLWCB-UHFFFAOYSA-N 425.448 1.854 30 10 IDEE COc1cccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)c1OC 59310837 YHBBHDCZMSRQME-IFRROFPPSA-N 430.494 1.410 30 10 IDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(O)cc3O)n2CCc2ccccc2)n(C)c1=O 254837122 ZFBAYQJAENFHGF-UHFFFAOYSA-N 434.456 1.534 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN(C(C)=O)C[C@H]3C)c2)c1 440585703 UDZXCXRDRLLOOB-QGZVFWFLSA-N 447.491 1.891 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1 461374209 KQXCXUJVPFYKOO-GOSISDBHSA-N 426.538 1.963 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 472482713 XWCPMBYXFCZONL-CQSZACIVSA-N 427.465 1.442 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1C 491584803 XLEXSYWLIGQOKA-UHFFFAOYSA-N 428.539 1.021 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 492353262 GMQVTMFLTVVPSI-GOSISDBHSA-N 448.589 1.167 30 10 IDEE Cc1ccc(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)cc1S(=O)(=O)NCC#N 496244000 KIIOPOJOFHWIAK-OAHLLOKOSA-N 439.497 1.325 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C(=O)N(C)C)CC1 508474303 SQLCCUYSTFVKQU-UHFFFAOYSA-N 431.566 1.729 30 10 IDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508894503 LGEMQMGYJYVUQS-UHFFFAOYSA-N 433.516 1.906 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 535504464 UJRFHGWTHUBGAT-UHFFFAOYSA-N 447.469 1.311 30 10 IDEE C[C@H](C(=O)Nc1cc(Br)ccc1Sc1nnnn1C)n1cnc(C#N)n1 543988866 KGEBNEKRYYCONK-MRVPVSSYSA-N 434.283 1.787 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)CC2)n1 544866483 ZYRATHZPCLGGIY-UHFFFAOYSA-N 433.516 1.126 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 549678543 GEYPJZYVCWLKTL-UFYCRDLUSA-N 446.596 1.759 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)c2ccccc2C1 558457056 RATSUGMBIBZYSE-SFHVURJKSA-N 432.550 1.253 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 603654393 LGVLOSZUNSYJLD-UHFFFAOYSA-N 449.515 1.578 30 10 IDEE O=C(NCC#CCNC(=O)c1cnn(CC(F)(F)F)c1)c1cnn(CC(F)(F)F)c1 682536119 HHANJRGEOGXUGE-UHFFFAOYSA-N 436.316 1.367 30 10 IDEE Cc1cccc(C)c1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccoc2)c1=O 727415328 LVWBJOQPMXUZQR-UHFFFAOYSA-N 435.505 1.471 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 729332318 XNOFLZCQOOVMFI-WMZOPIPTSA-N 438.571 1.370 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 733150100 AKWHAECAWQDIAF-YFVAEKQCSA-N 439.556 1.796 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)cc2C1=O 749249509 BLYGKGRHGUJPGM-UHFFFAOYSA-N 430.438 1.352 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N 749550955 MFWPEUMOGOUDRJ-NESDPSEASA-N 434.452 1.649 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)s1 750395428 OVMQIAOCOUNVRT-JYRVWZFOSA-N 445.522 1.921 30 10 IDEE O=C(NCC#CC(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757487788 WHPVCRSWURASBW-IRXDYDNUSA-N 448.475 1.823 30 10 IDEE C#CC[C@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 757642191 PZYJBUDOMOBSIN-AWEZNQCLSA-N 442.321 1.975 30 10 IDEE C#CCN1CCC(C(=O)NCc2ccc(N(C)C(=O)C3CCN(CC#C)CC3)cc2)CC1 765480406 MEHOWGHUUPHNMR-UHFFFAOYSA-N 434.584 1.956 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 774345240 XADFDWBHROVGPY-QGZVFWFLSA-N 438.502 1.652 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 784125467 PLKCNITWXYXNEV-GOSISDBHSA-N 427.530 1.207 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)OC[C@H](C#N)Cc3ccccc3Br)cnc21 786640295 OZPMYZKQHJMFTC-LBPRGKRZSA-N 430.262 1.818 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCC2CS(=O)(=O)C2)C1=O 786689735 WWMXNLAOUYPFQL-AWEZNQCLSA-N 429.951 1.842 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 1130018336 DXUDUZAMZHBBJZ-INIZCTEOSA-N 448.522 1.729 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1 1136955323 FENVXFDLRJXOEM-LPHOPBHVSA-N 440.525 1.646 30 10 IDEE CN(CCCO)C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1137935111 FLROOPSEXGVBDC-IBGZPJMESA-N 427.505 1.068 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CN=S(C)(C)=O)CC2)s1 1156189362 UHAMMWHGHQDLNA-UHFFFAOYSA-N 433.621 1.721 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)[C@H](C)COC 1214205930 QXYUBPGVSYYZEV-ZBFHGGJFSA-N 445.563 1.207 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1286386936 KBLOVUPPHCEKSE-HNNXBMFYSA-N 428.543 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCc1cnn(C)n1 1286431501 XVKFHGJHHNMKAS-UHFFFAOYSA-N 427.516 1.741 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1286448492 WAXKRCAIKOOXAM-SFHVURJKSA-N 434.518 1.311 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1286671469 RXUCWXJCBXYOFF-KRWDZBQOSA-N 432.569 1.811 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286780737 HQBXWTPXEAZSMF-UHFFFAOYSA-N 447.584 1.193 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1286810958 YEJBDTRUOLJFOU-CVEARBPZSA-N 437.566 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1286816001 DNBDMAYDTWZAOZ-UHFFFAOYSA-N 440.533 1.058 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cn2ccsc2n1 1288803979 GDIVAHCHTCYJJL-GFCCVEGCSA-N 434.551 1.386 30 10 IDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)cc1C 1289358363 MHCYCYNVAKEOOZ-GOSISDBHSA-N 430.530 1.966 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](F)COC)CCN2C1=O 1295889128 CDOQWRRNSBHJSB-DLBZAZTESA-N 441.467 1.274 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2ccco2)C1 1298011023 FSHYPMBGFNTYDJ-LJQANCHMSA-N 436.472 1.988 30 10 IDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CCOCc1ccc(C#N)cc1 1298755741 FUXOQMWUIJMPHA-KDOFPFPSSA-N 437.543 1.323 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300581450 SIUUXAFXGPZUEG-HXUWFJFHSA-N 448.527 1.246 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@@H]1OC 1300650541 UAWHEINXOAQPBS-IRXDYDNUSA-N 428.493 1.063 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)NC(C)C)CC1 1300701520 WAXPIIAEMLYPSK-UHFFFAOYSA-N 430.503 1.817 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1 1301185128 IMLPDGOXRJARQO-UHFFFAOYSA-N 436.516 1.849 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@H](C)O1 1301358505 CHKMIQYKOYHGIP-RXVVDRJESA-N 440.548 1.779 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1)C(C)C 1301367917 VXZXHCSQEZMOBQ-IBGZPJMESA-N 448.637 1.781 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1C 1301477437 AOSIMGBMDNWKKB-SJLPKXTDSA-N 446.577 1.840 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301478083 HQEDLYLJVJFFEU-OAHLLOKOSA-N 428.497 1.724 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1302151252 LACSEGORVDPKMP-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE C[C@H](O)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1303889834 HXTFKVULKJKNPH-GJZGRUSLSA-N 432.550 1.730 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1312478789 AYTHQBWONJAOAI-QHCPKHFHSA-N 438.532 1.374 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@H]1CCOC1 1314388987 FPCROJZUBKBGPG-IBGZPJMESA-N 441.536 1.603 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCC(=O)N1 1314390947 QNJQWRYZFDMIQY-MRXNPFEDSA-N 427.484 1.431 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1315071397 FZSGOINHVLXNAI-UHFFFAOYSA-N 448.549 1.141 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N 1315971808 CMVRIKRXFNUBRD-JTSKRJEESA-N 442.568 1.978 30 10 IDEE CS(=O)(=O)CCCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1316344578 BLPNPYIGTGMWLL-UHFFFAOYSA-N 428.562 1.864 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1350012545 LFPJFUNHOWJFBM-OALUTQOASA-N 436.530 1.677 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)cc1 1350629033 QSLKWBGRXNMWFZ-UXHICEINSA-N 444.513 1.425 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1358919201 VOOYHZSXKBROPP-UHFFFAOYSA-N 431.504 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1358987599 MHKPMINGUNFWAK-UHFFFAOYSA-N 439.541 1.338 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@H]1C 1359006857 LKFWATBJIIVCBK-MGPUTAFESA-N 432.550 1.238 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CCC(C)C)CC2)CC1 1359028617 YBQFQBIDPCKFBA-UHFFFAOYSA-N 443.640 1.930 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1359037578 OPZUKIKJWKMQOH-UHFFFAOYSA-N 433.603 1.653 30 10 IDEE C=C(C)COCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1359137553 SNIBKTCONXAARV-JOCHJYFZSA-N 436.553 1.909 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359292108 IKRVXUSPFINTMF-ZMSDIMECSA-N 442.495 1.574 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359299867 OSESHCUKNZLGNJ-INIZCTEOSA-N 429.525 1.724 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)(C#N)CC1 1359326496 BJCKOBOPBOYUQX-UHFFFAOYSA-N 436.582 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](COC)C1 1359333950 PBPLSGXTVSKGAC-QGZVFWFLSA-N 438.525 1.460 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 1439177459 PPSLSMLRVPTVFJ-QFIPXVFZSA-N 430.505 1.139 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)c1 1452093975 SSECJVCPVCFARD-INIZCTEOSA-N 433.507 1.448 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 1466064753 RKMHKTGFSAJLRI-LLVKDONJSA-N 434.287 1.517 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)cc1 1469464137 RTCNMCCJXAFTSR-IBGZPJMESA-N 443.525 1.676 30 10 IDEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2 1473629259 IGHNTMIEOUYGAS-SBUREZEXSA-N 437.500 1.973 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@@H]2CCCO2)CCOC1 1502681359 HFJMLPSAOTVGAG-IOMROCGXSA-N 437.516 1.958 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2cnnn2C)c1 1507549791 OVQVQIYMABTMBJ-UHFFFAOYSA-N 427.472 1.573 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1507600895 LFGWBVCFWWWKAU-WMZOPIPTSA-N 447.561 1.482 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507783173 CPCUXKXGEVRHHN-KBPBESRZSA-N 448.387 1.551 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1507800381 VJEYWCZVJZOLID-GGPKGHCWSA-N 433.553 1.448 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1508018351 CVBOHNJFPBKVID-GOSISDBHSA-N 429.546 1.700 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1508093865 DJPSWSSTVFBGPQ-UHFFFAOYSA-N 439.520 1.075 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1508145782 PIAUWLNSKSXPPQ-HNNXBMFYSA-N 443.570 1.171 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1516069817 QNUVWBOJXAJAKN-UHHPSXQGSA-N 445.524 1.643 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(C#N)c(Br)c2)[C@H]1c1ccnn1C 1525724892 GPDJOJZJYWNUSJ-SJORKVTESA-N 432.278 1.981 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1539147569 CGIZUNXTVXJVOW-CYBMUJFWSA-N 425.942 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1539296082 KUZXOOXWMYISJK-GOSISDBHSA-N 434.610 1.616 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCCS2(=O)=O)CC1 1539444440 OHMTUQRYABTEOL-GOSISDBHSA-N 443.573 1.676 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1539611557 AWNIWKLOOZEMMT-YDHLFZDLSA-N 428.331 1.578 30 10 IDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539811395 ANRFEJOIFNCXJH-LBPRGKRZSA-N 431.971 1.891 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1540862851 KSPHTIDWBZGBLJ-KDURUIRLSA-N 445.612 1.330 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)CC2)nnc1[C@]1(OCC)CCOC1 1540881625 OGERTNCXUFWFKS-QHCPKHFHSA-N 441.532 1.870 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1541112028 DOZOVJSDYAEBGE-ILXRZTDVSA-N 425.484 1.181 30 10 IDEE CN1CCn2nc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cc2S1(=O)=O 1544194906 PFIFUPRKSABECC-UHFFFAOYSA-N 433.465 1.212 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N 1556540475 AVNUSEXRZYLCBP-SWLSCSKDSA-N 444.351 1.924 30 10 IDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1568425389 NBOVODBAQXXAMW-IEBWSBKVSA-N 433.354 1.780 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCn1ccnc1)C1CCSCC1 1568916974 BTERJZYWKKRAQA-MRXNPFEDSA-N 447.586 1.846 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1587562148 LUGAMGUCBIWKRB-NJSLBKSFSA-N 439.969 1.907 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1588229120 RDRASAJRDXTVSR-FQEVSTJZSA-N 426.542 1.838 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1588386488 PNHSQSMVKHSVIB-MRXNPFEDSA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2ccccc2F)CC1 1588806396 OZQJAUJYSWTIQT-UHFFFAOYSA-N 447.518 1.973 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2COC)CC1 1588924219 XPXAANWRCJJUCO-UHFFFAOYSA-N 447.543 1.839 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](COCCOC)C1 1589529961 QWLQKZKJJLZESE-XSYGEPLQSA-N 433.553 1.700 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 1594644107 CJSAYOXQQKTJNE-BLLLJJGKSA-N 431.474 1.086 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)c1 1595175740 SODMVMWRYZKKGE-CQSZACIVSA-N 445.472 1.972 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@H]1CC 1617221193 SLYDILVDLIVXNU-HXUWFJFHSA-N 449.563 1.931 30 10 IDEE Cc1ccc(N(C(=O)CN2CCN(C(=O)CC#N)CC2)[C@@H]2C=CS(=O)(=O)C2)cc1C 1618010383 DUOQEYJLCRBPFY-LJQANCHMSA-N 430.530 1.005 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1619465976 KUCWWENRALAWNE-BTYIYWSLSA-N 442.545 1.786 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 1621679491 YHZNTHDQFZXHHA-LLVKDONJSA-N 438.474 1.560 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1626982967 CMVWMIHJTSRQOS-UHFFFAOYSA-N 435.502 1.130 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1628510814 NPHGOMDKLBDGMU-HXUWFJFHSA-N 443.525 1.628 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CO2)C1 1632641948 SPHHFIFXRWWASK-QGZVFWFLSA-N 449.529 1.368 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)n1 1637557390 HYSNOQGHGYQSTD-SFHVURJKSA-N 435.525 1.310 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1OC 1640916017 HLNUGIRUWHPBBM-QGZVFWFLSA-N 433.486 1.046 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1653659253 NRVQFRAVMWMJMM-UXHICEINSA-N 435.546 1.045 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCCn3cnc(C#N)n3)C2)C1 1680972572 BBFZXSKHCAEERA-ZACQAIPSSA-N 447.540 1.644 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCC4(C#N)CCCC4)CC3)C2=O)n(C)n1 1682422747 VHLSEEONABNJRC-GOSISDBHSA-N 427.553 1.635 30 10 IDEE CN1CCC(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)(N2CCOCC2)CC1 1683147033 HAXQFUMKVJYNNP-UHFFFAOYSA-N 440.592 1.577 30 10 IDEE CN(C)CC#CCNC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1685832472 ZILVNEPJHWPUSI-BGYRXZFFSA-N 433.597 1.809 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)Cc1ccccc1 1689824492 QWGSMJSRZFOEAY-QGZVFWFLSA-N 429.546 1.587 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccccc1F 1689825665 AQRFQQJUWWFPTL-HNNXBMFYSA-N 435.463 1.952 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689842027 SBGXXMYURMYCPN-VFNWGFHPSA-N 448.545 1.360 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CCc2ccccc2)C1 1689946261 NWJKSYGFIQHBLI-QUCCMNQESA-N 444.605 1.522 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1689990842 SPKLURQPJDKBOT-KURKYZTESA-N 438.619 1.942 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1690013247 HNSSATNRSOPSFN-UHFFFAOYSA-N 443.511 1.324 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cc1 1690019482 JYJBPAULKZDRQI-INIZCTEOSA-N 432.933 1.985 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1690175471 XYCBFVYYFOIZPK-CVEARBPZSA-N 429.612 1.460 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690242785 CMQKGYINLSFUIB-LMMKCTJWSA-N 448.593 1.783 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](COC)C1 1690251049 ORKCGJVUFRKECC-DYXWJJEUSA-N 430.553 1.973 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690526661 BJTABZAYSFXHSF-AWEZNQCLSA-N 441.554 1.096 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690676840 GGXMCTUTYFAWKU-QFIPXVFZSA-N 434.585 1.588 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696229434 XWJXPVISXAQMHT-JLUOLNIDSA-N 437.504 1.872 30 10 IDEE CN(C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1696652075 QPDUAPSRPVJJDR-CQSZACIVSA-N 434.522 1.155 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705569349 CKCGHCXWJUHVIO-BZSNNMDCSA-N 438.594 1.545 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CC1 1705612524 IMJVSTCVNXDVAG-PMERELPUSA-N 427.578 1.823 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705729185 OGFKIOJUFVOEOE-AOIWGVFYSA-N 432.569 1.367 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1 1705895157 WAJPEOLYNASDGW-KRWDZBQOSA-N 446.939 1.950 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 1705903272 RZGKAOIFWMVLFW-QGZVFWFLSA-N 446.577 1.055 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)CC2)cc1 1705910839 OPUGNTPEYVLGAM-UHFFFAOYSA-N 429.546 1.582 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1705922652 QHMFBAQBPZCOSU-WSTZPKSXSA-N 429.569 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1705932479 DYPZLFCWBIOZPT-IBGZPJMESA-N 442.545 1.522 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705933132 VISZULHQVGWXOV-NRFANRHFSA-N 440.529 1.276 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CCC(C)(C)C)CC1 1705936175 LASPEQAUVQFJLJ-GOSISDBHSA-N 439.626 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(CC(F)F)CC1 1705936974 DHNGONAMUHSPCM-UHFFFAOYSA-N 431.553 1.999 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705937274 OTOIUAOUZWRVOM-DLBZAZTESA-N 449.602 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705938148 OJNXLCPOZKQDON-MJGOQNOKSA-N 434.562 1.973 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCS(=O)(=O)N(C)C 1706314662 GCUSKPXNIXFVKW-UHFFFAOYSA-N 449.556 1.630 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc2[nH]ccc12 1706889772 IRFHOUXLRSRBRD-GOEBONIOSA-N 443.533 1.341 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712175519 NBZCRUMNELRVAP-MSOLQXFVSA-N 429.500 1.750 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1722284508 YLBMBOFXACOPQE-INIZCTEOSA-N 433.520 1.637 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCN(CC)CC1 1722299889 UTWJKHMWJIROLI-QUCCMNQESA-N 426.613 1.871 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 1722434062 IJMQZAZLMHKJAG-UHFFFAOYSA-N 449.603 1.427 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCOCC2)CC1 1722436566 BPECNUUXXCKKCZ-GOSISDBHSA-N 435.594 1.142 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC[C@@H]2COCCO2)CC1 1722440242 GRPKCWYQDGQHNW-OAQYLSRUSA-N 425.533 1.460 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1 1722442645 XOQKZNVOGVWQFR-UHFFFAOYSA-N 443.511 1.936 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1722457772 NDXYPDRCCFOJKW-UHFFFAOYSA-N 429.594 1.594 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNS(C)(=O)=O 1722644694 LGOQNXQSNCLXGB-HNNXBMFYSA-N 442.586 1.912 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C 1722654389 NAQPVAQOKJVGHP-UHFFFAOYSA-N 431.504 1.755 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(C)cc1 1722692248 XWJALHGJWWIZFC-WMZOPIPTSA-N 446.577 1.840 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNC(C)=O)C1 1722716257 XPZUDYYDVUFPHX-INIZCTEOSA-N 437.504 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2cncn2)C1 1722749685 ITCTYSQJLRZOFL-MRXNPFEDSA-N 431.522 1.880 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)n2)CCOC1 1723677608 STTSKPNHZIZVIN-UXHICEINSA-N 432.504 1.522 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1727481448 HTSFUBAXDFOJSY-UHFFFAOYSA-N 434.504 1.496 30 10 IDEE CCOCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729139578 KUSCOJXJZIVJEJ-GOSISDBHSA-N 442.568 1.839 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1729311394 DENSOKZCFXSJLG-GOSISDBHSA-N 438.532 1.948 30 10 IDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1729807276 HGRRAEXQNUJRCF-UHFFFAOYSA-N 437.504 1.762 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1=O 1730777669 HOYQSLYUJRAQPD-FUHWJXTLSA-N 442.495 1.232 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C 1740676247 XCTFGBFWNDNWRC-UHFFFAOYSA-N 435.463 1.793 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)CC)CC1 1740702074 VOTBEYVBAIKNRZ-UHFFFAOYSA-N 433.516 1.261 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCC(C(N)=O)CC1 1740723770 VWQSZCUPEUXESL-UHFFFAOYSA-N 429.546 1.934 30 10 IDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)N(C)C)CC1 1740821981 FJBQWFZWECCHHB-UHFFFAOYSA-N 431.566 1.873 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1748698752 JKERATOBIGQZFR-INIZCTEOSA-N 445.593 1.787 30 10 IDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748773147 SNYVEYRCIMXJCB-RCCFBDPRSA-N 439.582 1.276 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1748791560 VTAOOSCADWVCNL-RBUKOAKNSA-N 437.610 1.387 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1748801762 FYZJFHLWSYBWRR-KRWDZBQOSA-N 431.562 1.432 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)C(C)(C)C 1748836524 YUHXBSJLHUCDHV-HKBQPEDESA-N 436.545 1.541 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1749127102 JRPKBHIEYXOXQB-MGPUTAFESA-N 444.536 1.948 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1749285390 ICXWLBWITPNAEV-IBGZPJMESA-N 443.596 1.613 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749364199 NSHBFAWEIXDVEW-CVEARBPZSA-N 439.499 1.645 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1749669083 HKCZMXSERSLPRJ-INIZCTEOSA-N 445.593 1.425 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C1 1749730739 OKDMHBCITNBFCH-HNNXBMFYSA-N 442.545 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C(C)C 1749735036 PETVXVZOLDCOGH-INIZCTEOSA-N 432.612 1.652 30 10 IDEE COCCCOc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1749741870 OHXBNGJEADRKGA-MOPGFXCFSA-N 440.504 1.422 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1749955160 SEECSYLHXFRZAW-ZWKOTPCHSA-N 444.536 1.674 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1752007701 SALVWYVIZFQLGK-GUDVDZBRSA-N 431.585 1.903 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)CC 1760226530 GLEFHERJCSUPIY-MUUNZHRXSA-N 437.591 1.424 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COCC)C1 1760316018 LFGNNWLQTGMMMX-XDNAFOTISA-N 441.598 1.732 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(CS(C)(=O)=O)CC1 1760457089 FXWHVOVXWBIXEM-UHFFFAOYSA-N 438.575 1.796 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 1760517100 CJMLRIRUBDPMDH-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(C(N)=O)CC1 1760556450 DTNMFJNQQJXRNL-UHFFFAOYSA-N 447.561 1.180 30 10 IDEE CC(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761038664 HEYPMYBTPSDNQI-HNENSFHCSA-N 437.495 1.390 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccccc1)N1CCCC1 1761237919 FBWFAKVVYUAUJM-VQTJNVASSA-N 437.548 1.982 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C2CC2)O1 1763065484 UKGAEPDNHHUCNN-XNJGSVPQSA-N 434.522 1.405 30 10 IDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)C1CC1 1766910478 GVXSCLUIGNHOFD-KRWDZBQOSA-N 437.548 1.880 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1767341793 KFYFQWIJPIGVQV-ZWKOTPCHSA-N 433.534 1.228 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1769415577 PTCPJOIDPDFCKE-KRWDZBQOSA-N 434.456 1.725 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1770315522 GDJAUHAOYLGGOW-MRXNPFEDSA-N 432.506 1.040 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(=O)(=O)c2ccccc2)C1 1771529494 OUZKWCFVJFTADL-OXQOHEQNSA-N 448.524 1.593 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCC2CCN(c3ncccc3C#N)CC2)C1 1851946352 QGCOPBULRRYGQV-SFHVURJKSA-N 429.521 1.922 30 10 IDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)[C@@H]1C 1854130096 OEXLUPFZCIUBLM-HNNXBMFYSA-N 429.473 1.997 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)CC 1857346365 AOHBFVOYKGJDHJ-KBXCAEBGSA-N 433.530 1.556 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCCCn2ccnc2)sc2c1CCC2 1872707352 NDZVHHNOVRHHQJ-UHFFFAOYSA-N 441.473 1.526 30 10 IDEE COc1cc(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc(OC)c1 1890307249 CEZMYBWSGPONLN-UHFFFAOYSA-N 443.588 1.895 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2065457422 WKSVPURVYBVJRK-WMLDXEAASA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2243392190 GJZQZIMLQPSSGE-LLVKDONJSA-N 425.316 1.723 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2243405387 FNZRXOQITCFQAC-ZDUSSCGKSA-N 426.344 1.663 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243697307 XYJHQDFWDSRYES-MNOVXSKESA-N 426.348 1.747 30 10 IDEE CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248414184 GBSCIMZDPJVRHR-LLVKDONJSA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251299050 HMKYZXUAMLUTLA-XACVDLTFSA-N 426.319 1.021 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255525329 BTYHPXYGPYXAQD-CQSZACIVSA-N 438.305 1.740 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)OC1(C)C 2255618328 HIOSOLXQYFPDGA-MSOLQXFVSA-N 427.310 1.813 30 10 IDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)CN(C)C(=O)OC(C)(C)C 2255622955 HNOKUHBFIRGCSD-AWEZNQCLSA-N 436.362 1.952 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCOC1 2255632267 KUZGAJUGSNDGEA-FQEVSTJZSA-N 436.318 1.123 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1)C(=O)OC(C)(C)C 2255701570 SYLVKWFNVSXPNT-CQSZACIVSA-N 438.330 1.927 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)OC1(C)C 2267197918 QFIHESWDJCGVOV-GOSISDBHSA-N 440.353 1.730 30 10 IDEE Cc1ccc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2268652755 WRJBEDWQJWAYPZ-UHFFFAOYSA-N 447.341 1.874 30 10 IDEE Cn1ncc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2268980065 QYDWECIOQXXUBZ-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CC(N)=O 2303499450 PPXUFERCAMMCMS-LLVKDONJSA-N 426.333 1.022 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2304807792 ANOCFVKLUGYAFJ-ZDUSSCGKSA-N 425.310 1.842 30 10 IDEE COc1[nH]c(=N[C@@H]2COCC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339788392 OJYSQWWUHQJVKR-JKSUJKDBSA-N 449.357 1.905 30 10 IDEE C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCC(N)=O)c(OCC)c1)CC(=O)N2 21784627 HEPZQBHVBHWLGQ-LBPRGKRZSA-N 430.486 1.785 30 10 IDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CCOC)CCOC)C2=O)cc1 96573431 HOYNBWYDFSDHGU-JOCHJYFZSA-N 433.505 1.530 30 10 IDEE CN1CCN(CC(=O)[C@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]32C)CC1 253532865 CZBOZZDZNVIXFC-LMAXWFSGSA-N 442.600 1.813 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ccc(I)cc2)CCO1 409500644 NNNXHMYHEHSFBR-GJZGRUSLSA-N 447.298 1.897 30 10 IDEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 441479246 QIIWRIMEPAOLTN-UHFFFAOYSA-N 429.424 1.903 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(F)c1 478165124 CLBNQWNHBHQUFD-UHFFFAOYSA-N 434.468 1.923 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C(C)(C)C)cn1 479815980 REUKJNZWRFUBJF-NQIIRXRSSA-N 435.532 1.724 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 480521778 GHMUDLLBYKQENK-HNAYVOBHSA-N 426.498 1.315 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)Oc2ccccc2Br)CC1 483984835 KMSMSTFUEVQSSD-HNNXBMFYSA-N 439.354 1.846 30 10 IDEE CC1(C)C[C@@]1(C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 484905111 FDGRAZWAHJCFFS-FQEVSTJZSA-N 430.486 1.383 30 10 IDEE CC1(C)C[C@@]1(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 484914064 UNAPHXWRCOOHEN-INIZCTEOSA-N 428.308 1.611 30 10 IDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508491385 SVEWUBVTYFLFSB-UHFFFAOYSA-N 432.506 1.482 30 10 IDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508910513 CXIUBDJHBFDUCI-HXUWFJFHSA-N 438.532 1.121 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(C3CC3)c2=O)c1 540696185 HUODBLFDTYAVIO-UHFFFAOYSA-N 448.552 1.826 30 10 IDEE CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541801281 JVHCWOUFOPBYHM-UHFFFAOYSA-N 444.538 1.271 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CCC 544075365 UNTJLKWCWDRXFP-UHFFFAOYSA-N 425.539 1.372 30 10 IDEE C=CCn1c(Cc2noc(C[C@@H](NC(C)=O)c3ccccc3)n2)nnc1N1CCOCC1 546356741 WYIKJJIQBHMHQY-GOSISDBHSA-N 437.504 1.694 30 10 IDEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 549291695 IDKUHCOSUZXDEN-KRWDZBQOSA-N 436.520 1.986 30 10 IDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 555290753 VNEWLDWDPGAONJ-UHFFFAOYSA-N 439.520 2.290 30 10 IDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c(OC)c1 582151122 IUNQGYZHOGKYDB-UHFFFAOYSA-N 439.515 1.816 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(C(N)=O)cc2)c1=O 608474599 WNKQTIJHSBYRCK-UHFFFAOYSA-N 433.489 1.772 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CC2)nc1 619757113 LQSWVFYNGFABAA-FQEVSTJZSA-N 448.527 1.901 30 10 IDEE CCN1CCN(C(=O)c2ccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 732428212 CDFQZLZCNLFNFM-VXPUYCOJSA-N 440.504 1.112 30 10 IDEE COC(=O)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(C#N)cc1 740178100 HRMYAKJYSOBQEJ-GOSISDBHSA-N 427.438 1.444 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 740846843 KRJFZZGPWUEVSV-HOCLYGCPSA-N 441.575 1.177 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCc2nc(-c3ccncc3)no2)c1 749505851 ZKXCIKUIDMGTMS-UHFFFAOYSA-N 445.479 1.938 30 10 IDEE C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 751725321 UUNZTKLCYIMSBI-LLVKDONJSA-N 438.893 1.984 30 10 IDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)c2cc(C#N)cn2C)CC1 751728685 QWJCNYROSGWEPA-UHFFFAOYSA-N 437.500 1.453 30 10 IDEE CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 754436798 LEJZKSFUSCVXQO-UBZKEQBWSA-N 437.566 1.420 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cnn3ccccc23)c1=O 772312351 UOQNPUXENJJYFW-UHFFFAOYSA-N 428.448 1.716 30 10 IDEE C=C(C)CN(CC)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 777291453 XBNZVFQNWYNKMU-LPHOPBHVSA-N 426.535 1.299 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)cc1C#N 778669896 BUJOCUGOYMGZNI-UHFFFAOYSA-N 440.431 1.433 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)n1 788333443 ZNRDPGOHIILNEF-SFHVURJKSA-N 430.892 1.959 30 10 IDEE C[C@@H]1CC[C@@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 795182435 FUVKRIVYQYRMDS-COXVUDFISA-N 431.562 1.583 30 10 IDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(C#N)cc1 795384968 HBLWXLFRXMWAIE-LJQANCHMSA-N 430.438 1.497 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)o1 796148730 OSLOORPWFUTPAJ-JYRVWZFOSA-N 429.454 1.453 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCO[C@]3(CCCOC3)C2)cc1 806219343 HPFYWTYWZIBXOT-FCKILEINSA-N 436.534 1.913 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(Cc3nc(C#N)cs3)C2)CC1 811466404 WABDEKPJLZFIQD-UHFFFAOYSA-N 427.552 1.081 30 10 IDEE CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)ccn1 856656222 MPFVDQHFDMRBOO-VCGVYRDQSA-N 441.532 1.818 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 913258324 HETFLWWOZQJZPJ-XSLVWNFUSA-N 439.516 1.969 30 10 IDEE CC(=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccccc1 1084482661 LOCFXQSXJOPAHL-UHFFFAOYSA-N 425.478 1.076 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@H]3C[C@@H]3CCCO3)CC2)cc1 1134533585 JSPBZZKNVVLPDR-PMACEKPBSA-N 447.557 1.755 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 1136335212 RVHHNVVYOPPZQT-AZUAARDMSA-N 425.460 1.885 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCCc3ccc(C#N)cc3)CS(=O)(=O)[C@@H]2C1 1147172300 OFUNJBYKGNSVOX-GUDVDZBRSA-N 447.557 1.887 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2cccc(Br)c2)CC1 1152967703 NXCPWNVUPOTKCH-UHFFFAOYSA-N 444.351 1.220 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)C1 1171943622 BZTZEYIYRXAFJB-PQURRYPASA-N 446.504 1.694 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)[C@@H](C#N)C1 1194203433 GLAIYFYEDHWXRX-INIZCTEOSA-N 436.534 1.151 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncccc2O[C@@H](C)c2ccccc2)CC1 1216791115 UKEXTDOZFCAFLR-KRWDZBQOSA-N 443.529 1.839 30 10 IDEE N#Cc1cn(CCNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)nc1O 1221126973 CRECOHKEXDYGFT-UHFFFAOYSA-N 430.896 1.438 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1286405048 ZWDXXHOXDLAMTI-LJQANCHMSA-N 436.896 1.360 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(N)=O)cc2)CC1 1286469198 BMEFUQLVFIYFOW-UHFFFAOYSA-N 437.548 1.099 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)C(C)C)CC1 1286488830 VJSLZWCKJOCBMY-XZOQPEGZSA-N 447.580 1.303 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnccn1 1286505196 WFGQSZHRFGFJFW-UHFFFAOYSA-N 446.540 1.985 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1286512441 UZOCGDVVARRXPS-KGLIPLIRSA-N 447.542 1.750 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1286560299 COZVDFAXMDPTCV-FUHWJXTLSA-N 428.541 1.511 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1286768980 LXFRKLGEYUYTET-SNVBAGLBSA-N 431.444 1.446 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286784935 YYZDGQGWFUZPNR-SFHVURJKSA-N 433.516 1.614 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287131277 PELGWDCDVDQWQV-GOSISDBHSA-N 439.520 1.827 30 10 IDEE CC(C)N1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1287992745 HQRILRYZRAPPAR-JLUOLNIDSA-N 443.552 1.229 30 10 IDEE Cc1nnsc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1289262834 GWJQGBFXYBTJOH-HNNXBMFYSA-N 438.517 1.639 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN([C@@H]3CCOC3)C2)cc1 1291833290 YAIHMHRLPQGRRI-HLNJFSBGSA-N 434.562 1.939 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)Cc2c(C)cc(C#N)cc2C)c1 1293034148 VIDIACNKKZTNFA-HNNXBMFYSA-N 428.514 1.769 30 10 IDEE COc1ccc2c(c1)CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1298279873 BEDJUQNMNHUOLI-CQSZACIVSA-N 429.498 1.934 30 10 IDEE COC1(OC)CC2(CN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C(C)C)C1 1300066602 XLAOLEJUOJFEBH-CRAIPNDOSA-N 435.546 1.861 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1300308358 BJNMFYPFDIAJFJ-XHSDSOJGSA-N 427.596 1.212 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1300619161 SNJMGIKYKDHLKN-UHFFFAOYSA-N 428.518 1.086 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN2CCSCC2)CC1 1300719150 PZHLMCQYPYZZNN-UHFFFAOYSA-N 438.601 1.960 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1301297585 QHABFNHZURQPIW-MRXNPFEDSA-N 434.541 1.735 30 10 IDEE C=CCn1c(N(C)CCNS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301472618 HVFMKHYJLMWFEU-OKILXGFUSA-N 428.559 1.220 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2cccs2)n1 1304762139 FGODDENEXODZGB-OXQOHEQNSA-N 427.534 1.838 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1305085065 MUEDUOLHYAAYEO-NSGUQTEZSA-N 427.509 1.238 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1305890628 GNIBQVVYYSDLHN-XQLMRJDBSA-N 430.509 1.314 30 10 IDEE COC(=O)[C@H]1CCc2sc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)nc2C1 1306857821 DNTGZPRBLSEFPY-LBPRGKRZSA-N 434.499 1.210 30 10 IDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1307028127 OBNIHKVHRZCGRF-LJQANCHMSA-N 437.504 1.905 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1307057276 XVXSRHYEHYQIAT-MDZRGWNJSA-N 441.577 1.595 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313492651 CMULIVYXXJUQKE-AWEZNQCLSA-N 425.493 1.233 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 1319390991 LEXNJIVKENYCAE-MRXNPFEDSA-N 436.537 1.712 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 1329246025 CXYRXZWBLAGUDG-KXEGMRRWSA-N 431.415 1.146 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)COC)CC1 1359041900 LTXCQHAUVJJSEY-WZONZLPQSA-N 447.580 1.567 30 10 IDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1359138865 GCASZQUOZBTQEF-ZWKOTPCHSA-N 429.546 1.956 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1359231138 OQINOKFDGAJKEQ-SUMWQHHRSA-N 447.483 1.961 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccnn1C)C1CC1 1359327209 VKXCPLXELHXEOB-UHFFFAOYSA-N 447.565 1.017 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1359480673 ATKNKBLQMNJODQ-ZIAGYGMSSA-N 428.522 1.251 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccnc1 1466244838 YDYBNUSGFCUEQR-AWEZNQCLSA-N 432.930 1.512 30 10 IDEE O=C1N[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC[C@H]2CO1 1469814179 JDAFRGJLVYSXFX-GOEBONIOSA-N 434.518 1.242 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)nn1 1475569084 XCPMBUMDJYQGKN-UHFFFAOYSA-N 442.501 1.989 30 10 IDEE C#C[C@H](NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1478896394 NHYUNAYMZVXAOZ-RDJZCZTQSA-N 427.320 1.723 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CC1 1502426609 HCAKCWCTTNPIBU-SFHVURJKSA-N 439.589 1.828 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCOCC2)cc1 1504305045 CXDNYKXWTKWODY-FQEVSTJZSA-N 431.468 1.849 30 10 IDEE COC[C@H](F)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1504607738 IXCKZNBAHNEYFB-PLMTUMEDSA-N 436.532 1.480 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)NC1CC1 1507607635 BEPUCSJFAKEHIP-UHFFFAOYSA-N 429.550 1.366 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(N(C)C)CCSC1 1507642413 UGLMDWFLARLLBG-FGZHOGPDSA-N 431.606 1.829 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1507688457 ATFITBSJRMRZTF-IEBWSBKVSA-N 431.562 1.874 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1c2ccccc2C[C@@H]1C 1507713350 HBVOKABRHBNQIM-IBGZPJMESA-N 436.560 1.938 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507751699 QWOZRECCBYXVEC-IBGZPJMESA-N 446.621 1.283 30 10 IDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(OCC(N)=O)CC1 1507831684 CSFIKSZNYQXNKJ-UHFFFAOYSA-N 440.552 1.499 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1507867641 APAZXSUUGQYPPW-OAHLLOKOSA-N 432.974 1.955 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507910439 RQANHFHMZMHAGR-HNNXBMFYSA-N 426.587 1.489 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N(C)C)c2)C1 1508121587 FMOVAKCGNOTJQE-RTBURBONSA-N 438.532 1.761 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1517106172 OIWBGOOPUAJFRU-KSZLIROESA-N 448.524 1.650 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1539149440 SWRFLPAZQLMKAX-NSHDSACASA-N 431.444 1.009 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1539212384 VQRKDUWKUBUJQE-YRVHBCJASA-N 446.598 1.873 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1539239808 RFOKEOUVSGBFOF-KRWDZBQOSA-N 429.546 1.521 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(C(N)=O)c2)CC1 1539459609 LQMQFFZCPFMGJC-UHFFFAOYSA-N 446.559 1.237 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540862280 XGRNSWIWIVUFIW-HNNXBMFYSA-N 449.556 1.164 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)Cc1cnn(C)c1 1540900729 FXXZGECMKOBYOM-UHFFFAOYSA-N 430.534 1.924 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1540916802 HEDYZCQTONAAMQ-BZUAXINKSA-N 439.607 1.347 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1541799941 QCJPOCINYKGKFG-JLTOFOAXSA-N 430.534 1.565 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C(=O)OC)CC1 1555752947 IIMKGBKPORQRFV-BZSNNMDCSA-N 448.524 1.209 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCC(=O)N3)n1CCCOC(F)F)C2 1555988345 XXZWPGABMTYQKZ-AWEZNQCLSA-N 433.419 1.393 30 10 IDEE CN1C(=O)N[C@@](C)(c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2)C1=O 1557234611 LRBBPCCSBBYPJQ-NRFANRHFSA-N 440.481 1.509 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](NC(=O)c4ccccc4)C3)CC2)o1 1559560557 NFBLGAOBJDSSMY-IBGZPJMESA-N 436.516 1.398 30 10 IDEE N#Cc1sccc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 1559995072 SAMMNQAWVNUWAO-UHFFFAOYSA-N 430.534 1.418 30 10 IDEE CNS(=O)(=O)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1569756534 RHTQFZSTJGPFFB-UHFFFAOYSA-N 441.351 1.297 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)C2)nc1 1569817869 FWEXIAHPKCZLKS-PBHICJAKSA-N 441.875 1.260 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1583811543 GSYMXFMETYNLIQ-WTGUMLROSA-N 447.557 1.160 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588046107 XECYDVMTHFDKMX-WOJBJXKFSA-N 439.541 1.868 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1589223559 OIBRKLBMLLBEOS-OAQYLSRUSA-N 446.548 1.940 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589515790 RZSYNPMMIJRRQU-QRVBRYPASA-N 446.577 1.839 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1593763980 SWKSFXWEFGIWNQ-OALUTQOASA-N 427.553 1.980 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595477694 XREVWYODHKZVIK-QRQCRPRQSA-N 442.495 1.576 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOCC2(CC2)C1 1595490696 XJMLTVBLJWAKAT-UHFFFAOYSA-N 449.353 1.965 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1 1595814423 KNDVEJKVYXMJFP-FLIBITNWSA-N 433.457 1.812 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCOc1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1596380163 VNVMMPUGRHIJHY-UHFFFAOYSA-N 428.367 1.908 30 10 IDEE COc1cc(OC)c2c(c1)C(=O)N(C[C@H](O)COc1ccc(CC#N)cc1)S2(=O)=O 1613771299 KQFCCRSMXVRJGP-AWEZNQCLSA-N 432.454 1.354 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@H](C)O1 1619733610 HSQODXMTTQUBFF-BPXKWBHBSA-N 427.505 1.862 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1620044915 JTSBOYJGPGABIV-WGGBDISSSA-N 441.532 1.988 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC[C@@H]2CCCO2)c1 1620349070 FHKXPPDWDNNHGV-IBGZPJMESA-N 445.545 1.637 30 10 IDEE CCOc1ccnc(N2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1622704042 VJTZFODQXORGDR-UHFFFAOYSA-N 447.492 1.664 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1627214634 MBHNETOODKXVAU-SFHVURJKSA-N 437.585 1.748 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1629513141 FYTUPBPPEOSSNC-UHFFFAOYSA-N 426.907 1.829 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 1630655925 RVCUYUGBVDMTRO-LPHOPBHVSA-N 442.560 1.948 30 10 IDEE CS(=O)(=O)CCN1CCC(NC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1631207167 AAKSZBBBGSFONE-UHFFFAOYSA-N 433.578 1.335 30 10 IDEE N#Cc1csc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)n1 1636259645 VDNUFRNGTACOHV-UHFFFAOYSA-N 426.545 1.399 30 10 IDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1636586019 FTSLWHSWUJPZHO-ICSRJNTNSA-N 429.521 1.271 30 10 IDEE C#CC[C@@H](CO)NC(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1637985408 ADLCTGUOJXNOJZ-LBPRGKRZSA-N 437.543 1.593 30 10 IDEE C=CCOC[C@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)C(=O)OC 1639555399 JMQKRJQYCGMISH-LBPRGKRZSA-N 437.543 1.979 30 10 IDEE C=CC[C@@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1640141334 IWIXLDUCNIFUSB-QGZVFWFLSA-N 435.546 1.485 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc[nH]n1 1640629903 OQGLCPVRBJYTRJ-CQSZACIVSA-N 435.481 1.209 30 10 IDEE CON=CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1641288044 CIKGEGSSIAZAAI-MSOLQXFVSA-N 430.461 1.451 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 1642029744 XKBMAXHUJBUWPG-UHFFFAOYSA-N 435.440 1.682 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1643808833 SOKLLVRSDUTEQB-GOSISDBHSA-N 444.507 1.926 30 10 IDEE CCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1644156030 DEQXAQMYOJHGCQ-ZBQZNYHESA-N 425.514 1.866 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1644583189 JSLRACPNYUPJBH-HXUWFJFHSA-N 429.498 1.621 30 10 IDEE C=CCN1CC[C@H](N(C)C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1=O 1645435380 YEVQPCDFQZTNSZ-ROUUACIJSA-N 428.489 1.117 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1646450948 XHJQJSFSEZDRPM-CRAIPNDOSA-N 429.498 1.516 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 1650846349 SSLRKTOOBFXPGG-QINSGFPZSA-N 435.855 1.898 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(OC)(c3nccn3C)CC2)ccc1F 1651272864 LPECISQTWUQAFJ-UHFFFAOYSA-N 436.509 1.801 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)C[C@H]1CS(=O)(=O)C2 1652520614 ABNSNMAEKBMFDI-JXFKEZNVSA-N 431.901 1.560 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1689848768 BGWKMYAEHCQYQM-AEFFLSMTSA-N 429.546 1.692 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1690056381 QIQKHANZCUVDSJ-QGZVFWFLSA-N 425.537 1.544 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690430305 HZCQQPOUKHYHQO-INIZCTEOSA-N 438.598 1.740 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690516726 QUTJTKQNTMBLRS-VQIMIIECSA-N 427.571 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC1 1690718032 YXYBHWWVZGKYGF-UHFFFAOYSA-N 438.575 1.796 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690760769 AIUOWLKLAAZTBA-ZZEZOPTASA-N 429.525 1.375 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1691204755 XCZJBSGPHNNBAQ-ZWKOTPCHSA-N 435.532 1.836 30 10 IDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1694735845 SGELGRHNDAAEGW-INIZCTEOSA-N 440.483 1.166 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCCC2)CCO1 1698492974 HVUCIOXJUSIURB-AWEZNQCLSA-N 430.459 1.922 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCN(CC)S(C)(=O)=O 1705576169 FUDUZGYHOJFKEN-UHFFFAOYSA-N 434.953 1.738 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NC)c1 1705603168 KFLLZZYCUHSTQS-SFTDATJTSA-N 435.528 1.873 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)n1 1705612715 NCJUNDBZVURXEI-UHFFFAOYSA-N 434.552 1.673 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1705612893 RTCCQZDPJUCXKF-LJQANCHMSA-N 447.561 1.922 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCCCC2)CC1 1705631700 NUVDTSNPIONARP-UHFFFAOYSA-N 427.597 1.534 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2c(C)noc2C)CC1 1705633725 XGXXVFCXMHHRDD-GDBMZVCRSA-N 449.581 1.052 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(OC)CCOC2)CC1 1705646642 LJPPHVPPCYEHSF-QFIPXVFZSA-N 427.505 1.618 30 10 IDEE C=C(C)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728450 LATMKWPITWADBI-APWZRJJASA-N 427.571 1.413 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCO2)CC1 1705781778 HSCWIEHOJGLCNS-ZWKOTPCHSA-N 437.566 1.359 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1705901488 NAVMEAACDJELES-KRWDZBQOSA-N 439.520 1.283 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(F)(F)C1 1705937405 SLLJGORLBDWBDP-UHFFFAOYSA-N 436.488 1.963 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706108057 OBSWZWXQWJOYNJ-IJYGLTAASA-N 441.536 1.303 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCn2ccnc2C1 1706864976 SZDIIHRJEIVMSJ-GDBMZVCRSA-N 432.554 1.087 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1706941952 FQLKIWLNDATUSV-WMZOPIPTSA-N 435.532 1.823 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1709142108 POTSPOFHLARFSF-UHFFFAOYSA-N 437.596 1.460 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H](C)C2)CCO1 1711362740 FEGOFYDQYNMGEZ-FXAWDEMLSA-N 437.548 1.500 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCCOC2)C1 1711419353 DBPHSHRPHLWBEF-HXUWFJFHSA-N 430.534 1.373 30 10 IDEE CS(=O)(=O)CCCCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712695764 FLMYJEHLKZAPQB-UHFFFAOYSA-N 430.534 1.905 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1722350397 YKIQTCJTBBKLQC-UHFFFAOYSA-N 442.483 1.287 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(OC)CCOC1 1722410193 VQLOHZSIBWMMDI-HXUWFJFHSA-N 432.550 1.503 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1722413903 SDTTUEHGSHHMLU-SFHVURJKSA-N 449.602 1.863 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2C[C@]2(O)CCO[C@@H]2C)n1 1722429305 JXZOBTNRMNPTDK-WZONZLPQSA-N 442.564 1.958 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722532625 RSDVAALPGJQWKF-SFHVURJKSA-N 443.552 1.749 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC)CC1 1722625588 XHRKOACPWQAUSB-UHFFFAOYSA-N 446.508 1.877 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1722732658 NJGVPWLBPCVURI-QAPCUYQASA-N 429.612 1.814 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722858150 OBLBTXWPUFHCHO-SFHVURJKSA-N 436.476 1.612 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1722870726 WDACJOAHZGYRCO-HZPDHXFCSA-N 449.556 1.707 30 10 IDEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727625197 HLFWIRIZAUZHRT-LURZSEBBSA-N 447.499 1.816 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1729219114 IMJCTSCAPNYHML-HXUWFJFHSA-N 431.566 1.723 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)c1 1731181112 NUSOIOYWZDPEMF-SFTDATJTSA-N 435.532 1.782 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1731184030 YTIWVUFCKIKSNN-BEFAXECRSA-N 433.513 1.519 30 10 IDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740592091 WOLOBXSKDJWBOE-UHFFFAOYSA-N 442.514 1.961 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccnc2OC)CC1 1740688196 BKYMJZILIMWBIO-UHFFFAOYSA-N 425.537 1.404 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 1740759633 DLUIYQWGVMMXQT-NUJGCVRESA-N 431.541 1.062 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1740863165 QJFUOMSKYGBJPP-HZPDHXFCSA-N 429.612 1.909 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1740951148 QIAPYMMDYJEMEU-SJORKVTESA-N 430.553 1.600 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740958766 UMVDLQJZFJMIAY-HZPDHXFCSA-N 425.555 1.225 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1740966652 VJAWYHXUVYKBSN-KZNAEPCWSA-N 432.569 1.953 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1Cc1ccc(C#N)o1 1741674933 YWWCLCXDPUVJIL-UHFFFAOYSA-N 435.488 1.961 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2N(C)CCCC2(C)C)n1 1742712531 FEAKPDJDRMIMTM-MOPGFXCFSA-N 426.569 1.989 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1745793837 HONRVANNJYFLJH-UHFFFAOYSA-N 435.532 1.792 30 10 IDEE CCN(CC)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1746158370 GOSFEVNNQYHRRH-GOSISDBHSA-N 446.577 1.809 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1748816332 ZCMAOGXSWGBNQZ-LJQANCHMSA-N 447.605 1.965 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 1748863767 GPKLFJWUGLMJDL-VRXWPRPYSA-N 437.569 1.937 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1 1748962868 SQSNJZTZAWTKIQ-GOSISDBHSA-N 432.546 1.732 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1748982772 CZGJOFKQIFDWMN-LJQANCHMSA-N 425.581 1.628 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 1749006070 HMFINCBCZJJXEY-IBGZPJMESA-N 443.935 1.980 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CCC)C(=O)C1 1749049416 KURUMHLCAIIXAJ-HKUYNNGSSA-N 435.594 1.817 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749116005 YHBHBWLHPRMPBC-NXHRZFHOSA-N 445.568 1.392 30 10 IDEE COC[C@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749364201 NSHBFAWEIXDVEW-HZPDHXFCSA-N 439.499 1.645 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1749663448 FUDVDUUGXDOYIN-UHFFFAOYSA-N 449.515 1.786 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749664252 IJPYXCWAVWNGQE-JOCHJYFZSA-N 428.512 1.687 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749667072 RXPDJUMIIXOJHC-UHFFFAOYSA-N 443.596 1.228 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1749669454 LASVZPMQPNDBIP-MRXNPFEDSA-N 444.511 1.559 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cncn2)CC1 1749761221 YDKOLCSCEBBURB-UHFFFAOYSA-N 430.582 1.828 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1ccnc1C 1750028760 PTZDYAGWYTTYCY-VQIMIIECSA-N 428.541 1.384 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C)CCOCC1 1750031590 XHOMICYPPTYMKI-PKOBYXMFSA-N 432.569 1.995 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760135791 JFPTWXWWLHZFAA-KRWDZBQOSA-N 433.582 1.590 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760180253 AXYCBEXGNCEWPB-GCJKJVERSA-N 444.557 1.741 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760185207 SBFGEVMJCKGGTJ-SFHVURJKSA-N 425.514 1.358 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1760253342 DMGABSSZSAMRNU-NRFANRHFSA-N 449.603 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCn2cncn2)CC1 1760267288 ISPCXXNHMIKVEP-UHFFFAOYSA-N 439.911 1.251 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N(C)CCNS(C)(=O)=O 1760320668 YSSNPZOAOXLMKO-PKOBYXMFSA-N 449.577 1.920 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1760361955 XCOPULJMUJFGSV-SFTDATJTSA-N 435.525 1.554 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CC)C1 1760517104 CMGJHEFNANQJAR-INIZCTEOSA-N 433.534 1.266 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCN(CCN(C)C)CC1 1763017038 FZQXLSSBDIRNEH-UHFFFAOYSA-N 438.580 1.649 30 10 IDEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1769707432 DZVIQYLNDPLTJG-VQIMIIECSA-N 447.561 1.882 30 10 IDEE COc1ccc(-n2nc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)nc2C)cc1 1852790940 ZBOZXCWLVUBLGZ-UHFFFAOYSA-N 447.499 1.830 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1F 1857100007 DPYNJFKHYXHHCD-OAHLLOKOSA-N 429.473 1.829 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 1866805415 HADVMIWQYVJEMA-AWEZNQCLSA-N 442.497 1.824 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN(CC)CCO 1870741731 ASKKEWLEUYMZOA-UHFFFAOYSA-N 443.500 1.653 30 10 IDEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870762414 YAWQAAOGQABYDV-UHFFFAOYSA-N 441.532 1.869 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1984816909 KVBZRLZEOKBLHP-FQEVSTJZSA-N 425.482 1.485 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634780 DMLKKFDSRUBNNU-KBPBESRZSA-N 434.302 1.397 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2124524808 WPTDUASGINAVEU-UHFFFAOYSA-N 447.345 1.267 30 10 IDEE CN1C[C@H](C(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 2132679506 XYKKQQOKHPHMCO-MRXNPFEDSA-N 449.357 1.854 30 10 IDEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2255680825 TZSWXDALNYTPSV-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2255831051 PJBGLLLSGPDRSS-SNPRPXQTSA-N 432.330 1.837 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267180377 CZRDGJFCOZFEDD-GJZGRUSLSA-N 446.357 1.801 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)n1 2267189811 GDOQBVWPZFRBFW-IRXDYDNUSA-N 442.325 1.218 30 10 IDEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267260465 OBGFRNVNFGYSNO-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 2267269106 CAZURCRVUBVIGE-HOTGVXAUSA-N 449.357 1.424 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@]2(NC(=O)OC(C)(C)C)C1 2267270425 LIPBGTUAJRPSSO-ASSNKEHSSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267588131 ICPLTYPOHKCOBI-RDJZCZTQSA-N 447.341 1.650 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1ccc(C#CCCO)c(F)c1 2285182982 RHAIWSRZBKGMEN-UHFFFAOYSA-N 430.457 1.275 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2312855575 AOXJVHKOMZQSSO-AEGPPILISA-N 432.330 1.457 30 10 IDEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CN(C(=O)OC(C)(C)C)C1 2315532948 KOHAQIXKWODJRJ-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)n1C 2337322946 CBJZQFCJIOOGKW-KBPBESRZSA-N 446.357 1.623 30 10 IDEE Cc1nc(Br)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1C 2337364071 YOMZRVUGGLMLIC-OLZOCXBDSA-N 427.347 1.936 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccccc2)n1N)c1ccc2c(c1)OCO2 21318245 DCIGEHUMJNSJHJ-YDZHTSKRSA-N 439.501 1.965 30 10 IDEE CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)o1 33559854 HUFQRNYOZKCNCH-LFIBNONCSA-N 434.474 1.359 30 10 IDEE CCN(CC)c1ccc(N2/C(=N\C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 229186557 JJEVRHORUMNGOE-BSMWSGRKSA-N 439.559 1.999 30 10 IDEE CCOC(=O)[C@](C)(NCC(=O)Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 430256173 ICMLASOREKIXMU-OAQYLSRUSA-N 429.498 1.968 30 10 IDEE COC(=O)CC1(NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCS(=O)(=O)CC1 439262838 VIGOKAVQFDPWLJ-UHFFFAOYSA-N 435.546 1.650 30 10 IDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 445693573 UYLIKXLVABDLRR-YGRLFVJLSA-N 426.296 1.230 30 10 IDEE COc1cc(C#N)cc(Br)c1OCC(=O)NCCCN(C)S(C)(=O)=O 479937662 GJLWKHRNNHEXGU-UHFFFAOYSA-N 434.312 1.106 30 10 IDEE COc1cc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CC2)ncn1 480972163 QITMFTBTRVAGCR-AWEZNQCLSA-N 430.490 1.525 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)C1=O 482845791 ICODLRIDLSPNHK-IBGZPJMESA-N 443.544 1.413 30 10 IDEE COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 488757234 FEPFMYGIERVEKY-UHFFFAOYSA-N 427.479 1.101 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 499341385 FMWANGMYLUJVNR-FQEVSTJZSA-N 430.524 1.681 30 10 IDEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 504015821 IJDOPKPEANXPKB-UHFFFAOYSA-N 447.538 1.875 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@H]2C)CC1 516388784 PIMVNKUTEDJDID-HZPDHXFCSA-N 444.532 1.358 30 10 IDEE COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)cc1C 522674806 JROYPXGNEKDTLV-UHFFFAOYSA-N 440.521 1.488 30 10 IDEE CCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544886503 ZDXIVHLXIOWLAV-UHFFFAOYSA-N 428.518 1.283 30 10 IDEE N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CCC1 561850702 WCPGKSAFBGHKQK-UHFFFAOYSA-N 430.452 1.574 30 10 IDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 568419260 AWVVZHPVJDTWSY-UHFFFAOYSA-N 440.548 1.939 30 10 IDEE CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 604022616 ZGMNRGOPHPDLDY-OAHLLOKOSA-N 433.983 1.731 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 608969754 KQZCYVBLOCVGOZ-UHFFFAOYSA-N 427.530 1.715 30 10 IDEE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN([C@H](C#N)C(C)C)CC1 609459052 OWUABRSMBIIBGF-LSDHHAIUSA-N 437.522 1.732 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 612836040 DJVWPOJBOUZSAT-QGZVFWFLSA-N 443.533 1.480 30 10 IDEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670199499 WSQHHCMJWIANLJ-SFHVURJKSA-N 432.550 1.459 30 10 IDEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732154998 WSXVSXOGIXIQIK-QTIQAUKSSA-N 431.468 1.292 30 10 IDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C1 732675087 WPUOGARAFMYXBN-FXAWDEMLSA-N 445.589 1.989 30 10 IDEE Cn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2cnn3ccccc23)c1=O 732795687 SNEFKSHMJVFULU-UHFFFAOYSA-N 447.442 1.151 30 10 IDEE N#C[C@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)N1CCS(=O)(=O)CC1 732908442 LGZJGAPXUHJLGB-CYBMUJFWSA-N 439.540 1.602 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)NS(=O)(=O)N2CCC[C@H]2C(=O)OCC)cc1OC 735772689 UPJMSGLOMAXASU-SLWQEBJJSA-N 438.502 1.662 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 737305421 HWTACGLWBFLQBG-CVTQAYBASA-N 442.472 1.216 30 10 IDEE C[C@@H](CC(=O)NCCc1csc(N2CCCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 742678820 WWGFNGOJWPFHFL-AWEZNQCLSA-N 447.586 1.919 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC2CCS(=O)(=O)CC2)C1=O 755542393 FUFGWCZBQFBZEI-OAHLLOKOSA-N 427.523 1.718 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 756164990 JBMULVMGCDBLJR-FKNXBIFSSA-N 449.577 1.828 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1 769725565 DATXNHWVSWYMJT-IBGZPJMESA-N 427.482 1.574 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774020411 BIQZVCUIYCGFRQ-MRXNPFEDSA-N 427.548 1.370 30 10 IDEE Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)c1 782620140 MFQYLEHXBWBDLM-UHFFFAOYSA-N 426.299 1.730 30 10 IDEE CN1C(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)C(=O)C12CCCCC2 786560362 RJQXQCNWGZZOJB-OAHLLOKOSA-N 432.427 1.887 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCCN(CCOC)C(=O)C3)nc12 787247348 UTBPTPWVMLCBJG-UHFFFAOYSA-N 442.545 1.504 30 10 IDEE COC(=O)CCN1CCC(=NNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 788700087 OKSNNEPRLSQXDE-UHFFFAOYSA-N 444.561 1.786 30 10 IDEE C=CC[C@@]1(C(=O)NCCS(=O)(=O)N2CCOCC2)CCCN1C(=O)OC(C)(C)C 790547201 AXUNAIMWGOZVJG-IBGZPJMESA-N 431.555 1.110 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 792074308 KCQCREAZQVFSEX-LJQANCHMSA-N 439.516 1.778 30 10 IDEE COc1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)ccc1C#N 793269456 AVYUBZLYZFRJHL-UHFFFAOYSA-N 430.417 1.993 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 803701349 QHIDTPASVBTVSP-ATVHPVEESA-N 428.510 1.337 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)cc1C#N 805327422 ZOKZARFMYYHTNV-NRFANRHFSA-N 436.512 1.243 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 809893997 WUNQLPYLFPVOTP-DLBZAZTESA-N 446.552 1.974 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 818823541 HWEWJCQTBFSIRD-HOTGVXAUSA-N 448.520 1.601 30 10 IDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)s1 917798378 BEKNDZWBWHSLJY-UHFFFAOYSA-N 435.534 1.563 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)cc2C1=O 919840016 NPWFQKUOLDTKEF-UHFFFAOYSA-N 439.493 1.956 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2coc(S(C)(=O)=O)c2)cc1 1125203522 YEMPQZIFCBROSZ-XDJHFCHBSA-N 425.488 1.748 30 10 IDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1129262460 APDOJXRZKMNBQY-MRXNPFEDSA-N 438.488 1.966 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(C(=O)CC#N)CC3)nn2)CC1 1137371027 FQBCSYZAWOZKKT-MRXNPFEDSA-N 445.524 1.438 30 10 IDEE C[C@H](CC(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)/N=C1/NS(=O)(=O)c2ccccc21 1159989990 GRNDERSIJMEYQP-TXPWEPMLSA-N 448.545 1.485 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)NCCC1=CCCCC1 1178739185 GQXIZPVWNFCKGN-MRXNPFEDSA-N 432.546 1.690 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)OC)cc1 1181192017 FDMPJABZQDXPFN-IBGZPJMESA-N 430.482 1.597 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1252843565 IHROKNBKEPCDCB-NRFANRHFSA-N 442.541 1.668 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)n1 1255069363 DAYZMHWXQZMPMA-OALUTQOASA-N 431.537 1.787 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1286324008 NHTNRKOWCMUBBL-ZWKOTPCHSA-N 439.582 1.277 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286346514 WNGPALVPKFKYDG-UHFFFAOYSA-N 426.546 1.996 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1286390149 XVPXMEUBRWABNF-CQSZACIVSA-N 439.339 1.214 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOCC)CC1 1286530016 DGDIVWAVRGYKGB-UHFFFAOYSA-N 429.363 1.483 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1286785374 KHVZYXRXVKIAFV-MRXNPFEDSA-N 435.532 1.701 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1288977049 IDQSRSWAOBFGBG-YKNSSVCLSA-N 432.488 1.997 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)cc1Cl 1293032766 OPCJARVFFPJWHK-UXRKVSLXSA-N 427.848 1.207 30 10 IDEE CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCN(O)C3=O)c2)cc1 1298425545 JMUVNFSVWLMQLG-GOSISDBHSA-N 433.486 1.914 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2C[C@@H]2C)C[C@H]1O 1299420847 MGGUQDQKEJNSQC-KNIMUDFMSA-N 425.489 1.745 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300411731 WJGHVLIMZXOMAB-LPHOPBHVSA-N 445.545 1.674 30 10 IDEE C#CCN(c1nnc(C)n1CCN(CCC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300483696 LDOQVDNTUVZXAX-KRWDZBQOSA-N 439.582 1.860 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300487003 DDFNYCZEGHEPGO-LJQANCHMSA-N 444.605 1.785 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1300710879 ORJNJPROQSVPQL-BURNTYAHSA-N 431.581 1.818 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1300813507 LFKYXSCVZBZEPU-AUSIDOKSSA-N 439.564 1.627 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)CC1 1300876011 RAKKKBPNDQLWON-NXHRZFHOSA-N 441.598 1.732 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)N(C)C 1300906327 NQOCSFVLZKSTGA-UHFFFAOYSA-N 445.553 1.215 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301508720 RQNPOHGSWQBCJY-FQEVSTJZSA-N 430.597 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1ccc(C)cc1 1301589621 UXLSJISXOLINKD-MRXNPFEDSA-N 438.575 1.857 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301593619 QZHJAIQYQBOORS-LJQANCHMSA-N 428.555 1.190 30 10 IDEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1301611109 GEUIYGMLWXHQBE-QGZVFWFLSA-N 436.559 1.945 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1301794478 GSFCVBWMVOLQQZ-OXJNMPFZSA-N 446.508 1.629 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1302426716 COCLRWWPFLTJBV-GOSISDBHSA-N 442.545 1.615 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302977623 BJMBALDCUIMNRQ-CNIJUAHPSA-N 429.456 1.140 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656010 ONIIWULHNQSMRW-UHFFFAOYSA-N 436.534 1.465 30 10 IDEE Cc1ccccc1Cc1nnc(N(C)[C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1304546205 DWRADLNZKRGUFW-VEGAHXMMSA-N 436.516 1.929 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 1308017750 NEFGPHWXOTVZKF-RBBKRZOGSA-N 427.524 1.510 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1314647669 CAZKVQXRLQCBQO-OALUTQOASA-N 428.562 1.780 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315818506 ZXRJUDAZBZGRID-HUUCEWRRSA-N 425.472 1.634 30 10 IDEE Cn1c(=O)c2cc(NC(=O)COc3cccc(Br)c3C#N)cnc2n(C)c1=O 1356172798 BQAPCPLEFHGGCQ-UHFFFAOYSA-N 444.245 1.284 30 10 IDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358909117 VBJOXCOSPGVJNX-UHFFFAOYSA-N 445.527 1.547 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1359017544 JJBIKITXWMTFIZ-FQEVSTJZSA-N 436.509 1.143 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359035584 YEBIJLGBRKENDJ-HBMCJLEFSA-N 430.597 1.427 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C[C@@H](C)C(=O)NC 1359295537 FTKYXIUOPXYEES-CYBMUJFWSA-N 434.928 1.728 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)C(C)(C)C)C1 1359320351 PHXPMOBUVNXVDG-LSDHHAIUSA-N 425.555 1.224 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359492130 BTTVDDUGBYPROP-QZTJIDSGSA-N 435.532 1.694 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1360475990 GIFZNBFZNVTRBE-RBSFLKMASA-N 443.474 1.621 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1450981807 ARZWYVXUZMGLLI-MRXNPFEDSA-N 429.477 1.746 30 10 IDEE N#Cc1ccccc1Oc1ccc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1Cl 1456176122 QZAKVETXXIHLKG-OAHLLOKOSA-N 432.889 1.978 30 10 IDEE N#C[C@]12CN(C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1463163202 MITYOVMUYCWASS-SXWKCWPCSA-N 437.521 1.945 30 10 IDEE C=CCn1c(SCC(=O)N2CC(NS(C)(=O)=O)C2)nnc1-c1ccc(Cl)cc1 1470208074 PVBGBDDERBQMDU-UHFFFAOYSA-N 441.966 1.637 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(CCCCN3C(=O)OC(C)(C)C)C2)C1=O 1472009558 GLHWVAORVSFLGP-NRFANRHFSA-N 434.493 1.355 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1472175102 IFLDWBDPMIQLAL-UHFFFAOYSA-N 428.466 1.681 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CCO1 1503770265 DSSIQSBJVRTMHK-HTAPYJJXSA-N 436.472 1.269 30 10 IDEE NC(=O)C[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505337076 UPFJNVDNGHMAOE-UMIVRTMYSA-N 449.515 1.563 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC(F)F 1507539327 UQFWUXDJYUZDCY-HIFRSBDPSA-N 439.488 1.725 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1507633396 DIDKFHNVRRXGPA-GCJKJVERSA-N 446.573 1.975 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1507636752 DAENIWCNHKOCSL-IAGOWNOFSA-N 432.550 1.215 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1507687228 LFCSHQSJWHYEPT-NRFANRHFSA-N 436.560 1.946 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cnn(C)c2)CC1 1507739574 RSLGNGAWDQETSZ-FQEVSTJZSA-N 439.564 1.504 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 1507752022 UDUMJSRUONCJBV-MRXNPFEDSA-N 427.596 1.214 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1)C1CC1 1507993089 NUNWPYNCHDMTGL-RDJZCZTQSA-N 441.623 1.909 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1508013077 KKWKUXGVASBDAZ-FQEVSTJZSA-N 432.502 1.402 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1508086927 PYQXBJBDONRIRF-MSOLQXFVSA-N 426.496 1.558 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC[C@@H]1C 1508088621 HIMSMTJAHNMFCS-INIZCTEOSA-N 448.568 1.920 30 10 IDEE C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1510074760 ANKIZHLIPPRSMF-MRXNPFEDSA-N 443.577 1.730 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC(C)C 1517465504 AOQHVVXXZCWMQO-OAHLLOKOSA-N 427.509 1.072 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCSCC1 1519320576 QOOAPQHPKVUVBN-HKUYNNGSSA-N 449.625 1.227 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539023567 VOVVNGKBTBEIGG-DLBZAZTESA-N 431.562 1.617 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1539224443 HFQHGDPPGTYKAU-IBGZPJMESA-N 442.589 1.375 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1539264051 VPKDHAUDQYSWBI-SFHVURJKSA-N 442.564 1.944 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCCC(=O)NC 1539613584 ZNNMKAFGCSOSMZ-ZFWWWQNUSA-N 430.347 1.873 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539629843 YNXABUMPZZPTJJ-SCTDSRPQSA-N 446.577 1.839 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1540088909 SGMMGLYXEPPLHQ-UHFFFAOYSA-N 428.537 1.652 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1540147114 NSNNOVCILFAYHE-HNNXBMFYSA-N 437.591 1.913 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1540873043 KSYTXMFBOAIKRU-UHFFFAOYSA-N 433.516 1.562 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1540876649 XNYVOAXPSKJPQH-QPAOKJHLSA-N 449.552 1.005 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(OC)cc2C1 1540902128 BCRYAFLFVWKJNP-SFHVURJKSA-N 445.545 1.401 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1540943409 QDGPMQJDZHPIKC-UAFUQJIBSA-N 443.552 1.308 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1547321758 XLUZEXKKNDUQFM-HKUYNNGSSA-N 437.548 1.880 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@H]1C 1547711065 CYFHMIOZJXAQFH-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](N4CCOCC4)CC3)C2=O)cc1 1556569071 NUYFXNTZGOMWRA-QUCCMNQESA-N 439.516 1.477 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1558329369 OLEVLBQDARDMQK-IRXDYDNUSA-N 434.518 1.209 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 1565718268 DEDOVCVOIPSISJ-FXAWDEMLSA-N 442.541 1.196 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(O)C1=O 1569561168 PBYNJNHMLKYALC-SJORKVTESA-N 437.543 1.346 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1583957264 CQBVSTYKSJEJGO-TZMCWYRMSA-N 436.427 1.876 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@@H]1C 1588550594 VKOROYYIKMXVRS-SNRMKQJTSA-N 447.536 1.971 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(F)c2)CC1 1588865387 WLOOPGNQLCZTLG-UHFFFAOYSA-N 426.496 1.352 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnc(C)s2)CC1 1588891136 LRIWLSZLOGTOTO-OAHLLOKOSA-N 446.577 1.781 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1589070673 WAMFBJIVMDTTGM-IAGOWNOFSA-N 441.623 1.256 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1595501385 RSVGTJDXRXHFRG-UHFFFAOYSA-N 446.577 1.281 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1595543841 AKMCMRYGZBZQLK-UHFFFAOYSA-N 437.552 1.478 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](OC)C2)cc1 1595607641 JTEGQEHPNRFTGI-QAPCUYQASA-N 435.550 1.727 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1596851721 XUVXFBUDYUAWRS-CQSZACIVSA-N 441.517 1.775 30 10 IDEE C#CCOCCN(C)C(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1608104464 MHOPPXLNGXPFRC-KRWDZBQOSA-N 444.557 1.653 30 10 IDEE CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1614471211 ZXBCZYZJQHTFND-GOSISDBHSA-N 443.577 1.964 30 10 IDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C 1617495060 OITHCLKHDHHFDB-UHFFFAOYSA-N 447.916 1.744 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COc2ccccc2O1 1619911870 JSUPIXIDTVZPAZ-CVEARBPZSA-N 426.477 1.436 30 10 IDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 1622162542 VMXGTKQGSYXKMN-UHFFFAOYSA-N 434.539 1.476 30 10 IDEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(Br)c1 1623138698 IGSBNTDKKBKTOR-CVEARBPZSA-N 447.264 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 1624819240 GJPGGQSEIRSCFA-ZWKOTPCHSA-N 428.489 1.648 30 10 IDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1)C(=O)OC(C)(C)C 1624902566 RKOVYUXLYFRBRB-UHFFFAOYSA-N 438.550 1.335 30 10 IDEE Cc1n[nH]cc1CCCNC(=O)CCNC(=O)COc1ccc(C#N)c(Br)c1 1627937832 KVYRTCQHTGJKET-UHFFFAOYSA-N 448.321 1.986 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 1632966522 PYGLZFMONOZBPV-UHFFFAOYSA-N 425.816 1.464 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@](C)(C#N)C2)c1 1636284293 LGGRUZSKOQTUOB-MRXNPFEDSA-N 446.323 1.128 30 10 IDEE C=CC[C@]1(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)CCCN1C(=O)OC(C)(C)C 1637641188 BVSPUQSNHKDRTR-JXXFODFXSA-N 428.551 1.747 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1638007641 FOXIRWSXCCVCRF-GOSISDBHSA-N 430.486 1.568 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cc[nH]n1 1638653636 XGJNDDQNHYEHRV-HNNXBMFYSA-N 429.477 1.345 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1638692481 VQNGKISQMZHENS-RHSMWYFYSA-N 434.541 1.113 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCNC(=O)OCc2ccccc2)C1 1639076769 CUIGCULGUUOFAX-SJORKVTESA-N 431.493 1.971 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@H](O)c3ccnn3C)CC2)ccc1F 1642082967 LDDHDHUNMIAYFD-IBGZPJMESA-N 436.509 1.609 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@H](c3cccc(OC)c3)C2)s1 1642104224 XMOKKPKUCDRXNS-SFHVURJKSA-N 435.571 1.937 30 10 IDEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OC 1644819630 NIEZMGHYXRTQGM-INIZCTEOSA-N 426.539 1.143 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)c(=O)c1C#N 1650978735 IGGLRGOVAZJISW-TZMCWYRMSA-N 440.294 1.870 30 10 IDEE CCC1(CC)NC(=O)N(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)C1=O 1650978923 LRAYGGGIAGTDHQ-UHFFFAOYSA-N 438.282 1.280 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3c(cccc3C(=O)OC)C2)c1 1652977975 MOGKAZBLXJBSHR-UHFFFAOYSA-N 428.466 1.420 30 10 IDEE Cn1ncc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1Br 1655204377 CCHDYPPAQSZBSX-ZDUSSCGKSA-N 438.307 1.134 30 10 IDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCN(CCC#N)CC3)c2)CC1 1674233782 HAADVVBHKQZYPP-UHFFFAOYSA-N 434.566 1.076 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCC(C)C)cc2F)CC1 1678900758 JQSMIKPDCCHEOS-UHFFFAOYSA-N 426.514 1.868 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](O)COc1ccc(I)cc1 1681197309 KKPSKYASWCAQBK-CFVMTHIKSA-N 432.258 1.674 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1689853771 YERLTWFWAOJCSQ-RYUDHWBXSA-N 441.501 1.322 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1689867459 SNJMUCBKKCFDKW-CAIZAGQASA-N 443.523 1.943 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1689986828 XSPFTMYPCBKDLN-HNNXBMFYSA-N 428.518 1.807 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689993529 GEZPEXOYTLBNRN-AEFFLSMTSA-N 449.602 1.687 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCC[C@@H]1NC(=O)NC1=O 1690089625 IJZOYKNJXDQADG-KRWDZBQOSA-N 448.462 1.502 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)NC)CC1 1690119577 KNVOMEVOWAESIT-UHFFFAOYSA-N 431.338 1.599 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCO[C@H](C)C1 1690723523 UPOVVNUTAUXNFE-CQSZACIVSA-N 437.522 1.222 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnn(CCOC)c1 1694325508 DLZDCLWUTSDXSK-FQEVSTJZSA-N 432.504 1.530 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC#N)CC1 1696622953 HMKZMEKRFUEDEY-UHFFFAOYSA-N 446.533 1.695 30 10 IDEE CN1C[C@@](C)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1696874034 BHLFNLWXTOBGGT-UTKZUKDTSA-N 442.545 1.167 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1705504822 FBXRWVBIAQCPPH-OSPHWJPCSA-N 446.511 1.936 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1705567369 XIERWLUWEOWJKS-KRWDZBQOSA-N 444.561 1.569 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1705587851 LTVLVHQEPJCNKE-SFHVURJKSA-N 438.507 1.363 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)nc1 1705595663 AYNSTVAIXONXKH-UHFFFAOYSA-N 445.483 1.870 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)c(F)c1 1705617577 ZTPXOWHMUMXXBW-UHFFFAOYSA-N 426.496 1.738 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCNC(=O)C1CC1 1705620804 GXRYLGBYXXGRAT-UHFFFAOYSA-N 438.507 1.706 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705725897 WZLIVBKQKJHJAC-HZPDHXFCSA-N 442.549 1.133 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705741328 MRDZLYQYWUFOCL-WOJBJXKFSA-N 446.596 1.855 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 1705754589 BTEOBGZRJGSSLS-KBPBESRZSA-N 436.003 1.695 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705819678 RMHIEHFSFPBCGK-JKSUJKDBSA-N 427.571 1.438 30 10 IDEE C=CCCOCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705833020 QYAOPNPPUCWUBK-ZACQAIPSSA-N 448.568 1.953 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705899946 LNZSSLYYXSMIKB-PKOBYXMFSA-N 425.537 1.189 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](SCC)C1 1705934768 WOOCRTXVBQZREO-JKSUJKDBSA-N 441.623 1.942 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)C1 1705973182 DFUKYVCWAWCSPK-LJQANCHMSA-N 427.553 1.789 30 10 IDEE CC(C)SCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1706713442 GJASSISELVXZTD-QGZVFWFLSA-N 439.545 1.105 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708152587 GFTZNMYNWZDDMV-HYFFOGBASA-N 440.552 1.566 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](F)COC)CCN2C1=O 1710172864 HWRTXUILKLYIGC-IAGOWNOFSA-N 441.467 1.274 30 10 IDEE CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1710280430 ILSBRUUSXAZDHI-NQDNANIMSA-N 443.552 1.577 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1712304721 RUTHWADQTIKENO-SUMDDJOVSA-N 440.504 1.247 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1712704413 CHCPUJPSGROJCF-KRWDZBQOSA-N 430.534 1.325 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1722391332 KPWPENNKVPMPKV-VWLOTQADSA-N 447.539 1.727 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722399334 BDMHSNFMZSLSLO-UHFFFAOYSA-N 432.528 1.662 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 1722671788 CBPVQWROQQQUCH-HUUCEWRRSA-N 447.508 1.214 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1722672162 LKAKZJDLHRXKFZ-SFHVURJKSA-N 439.545 1.988 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722699404 HONFVOHSGFFRKM-OAHLLOKOSA-N 446.502 1.944 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703573 BXAXDCNSJJWMGE-NPPFBWRTSA-N 433.553 1.626 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC)CC2)cc1 1722705644 GJBYVMRMSJYHIG-UHFFFAOYSA-N 434.504 1.810 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1727482119 CICVPDNIMACSET-KKSFZXQISA-N 426.525 1.712 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1731185285 WZGRMNANIKHHPJ-MRXNPFEDSA-N 437.472 1.722 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740576792 HHFVPRXKLHCWIL-UHFFFAOYSA-N 442.564 1.279 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1740601512 WNZMCKALEYMGRM-HNNXBMFYSA-N 427.534 1.407 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 1740625585 OOVJBVNUWYTOEO-CRAIPNDOSA-N 444.557 1.848 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCNC(=O)c1cc[nH]n1 1740642278 UOGZGMAMJVRROL-UHFFFAOYSA-N 431.500 1.700 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1740689129 PNDVEGIKYVWKJX-YKSBVNFPSA-N 441.624 1.780 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1740698020 MUEMAQSCBPKFRO-UHFFFAOYSA-N 439.564 1.886 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N[C@@H](C)CC)CC1 1740699027 SPHVQLHXZXWOKG-KRWDZBQOSA-N 426.569 1.200 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1740700335 OWHCPQPCTWHKFD-QGZVFWFLSA-N 447.536 1.186 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1740888849 JJJUIDVZNLIFAS-SJORKVTESA-N 426.587 1.156 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740978586 YIXQAVOUYJGUCM-GOSISDBHSA-N 432.546 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740990277 OPSGJVYPERVWLL-QZTJIDSGSA-N 446.577 1.979 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cnnn2)cc1C 1742249330 ARLAKXMYCJQXCP-HXUWFJFHSA-N 438.471 1.666 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748811751 KQNGLGVQFPXUIL-QGZVFWFLSA-N 445.936 1.517 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748819490 PFVZZGOVVQSXGD-RBUKOAKNSA-N 429.546 1.316 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1748986638 FGDWSWRPROPQCA-KRWDZBQOSA-N 440.552 1.794 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCO[C@H]2CCOC2)CC1 1749009448 JDOVFFJQURFGIB-PMACEKPBSA-N 445.564 1.334 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749450845 VPAWDRNJUHKSSH-QGZVFWFLSA-N 439.520 1.719 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749655287 GWAIGBVDBZGJPF-RBUKOAKNSA-N 427.505 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749729549 NCQQYPXKHGKDNS-DYESRHJHSA-N 447.561 1.715 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749736692 NDCLTIWFIVGJLF-SJLPKXTDSA-N 435.550 1.105 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1750030150 GYNCFPOTUDGSJU-FQEVSTJZSA-N 434.504 1.654 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@]2(CCO[C@@H]2C)O1 1752321861 UGZWVTOCEFEXRR-PMAPCBKXSA-N 441.532 1.988 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760148438 ABGZHTSLBBGFGB-UHFFFAOYSA-N 427.896 1.928 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(Cl)c1 1760162610 BPFHSUUNNOWOIM-LBPRGKRZSA-N 429.905 1.829 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760167803 CWAQJVUNPMTZJX-MRXNPFEDSA-N 447.561 1.703 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760189103 NMURXESDDSXLPQ-IEBWSBKVSA-N 431.562 1.946 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1760201448 BHJFVLXDZFCBIW-UHFFFAOYSA-N 446.511 1.195 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[S@@](C)=O)cc1 1760247500 DABKQGVOENPVAE-SSEXGKCCSA-N 426.546 1.691 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1760255526 CZLKXQIWSDKLPU-UHFFFAOYSA-N 435.919 1.896 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCn1cc(CO)nn1 1760296328 NNUKFBKWETZSII-HXUWFJFHSA-N 426.550 1.800 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760357073 DDNLXDAFNHJYHX-IEBWSBKVSA-N 448.593 1.575 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1N1CCOCC1 1760455291 MLMCNJYKAWTPOD-JOCHJYFZSA-N 428.537 1.832 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC[C@H]1C 1760553473 DDKRVIUVUVFZQM-CQSZACIVSA-N 444.517 1.420 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1763176672 BJTBYLFBEYMATG-HZPDHXFCSA-N 447.499 1.885 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766872432 XYRAOQOGAZIVKQ-HXUWFJFHSA-N 437.548 1.802 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1767115833 VJBWIGFTGSFCTR-INIZCTEOSA-N 431.566 1.286 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCO)C1 1770727670 JKHVWIVLCBSJDA-LJQANCHMSA-N 435.529 1.843 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)(F)F 1771293309 HWNVLTKSSRXOOK-HOCLYGCPSA-N 444.458 1.811 30 10 IDEE COc1cc(OC)c(-n2nnc(C(=O)NCC#CCN3CCOCC3)c2C)cc1Cl 1850691979 AZEVWTFNZFYWJN-UHFFFAOYSA-N 433.896 1.312 30 10 IDEE CC(C)(C)N1C[C@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1=O 1851234454 IGAYVWOSNNGUGN-UYAOXDASSA-N 429.517 1.828 30 10 IDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)ccn1 1853851352 MMIAHCLOJJETQY-LJQANCHMSA-N 430.530 1.516 30 10 IDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)COc3ccc(Cl)cc3)C2=O)C1 1857109533 MGKDHGXNKUUBQU-SFHVURJKSA-N 426.860 1.876 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3OC)CC2)CC1 1889658198 OFALCUKCPPPOEI-UHFFFAOYSA-N 435.590 1.506 30 10 IDEE CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2243435414 PZDFEKMBEKFRHZ-UHFFFAOYSA-N 444.384 1.945 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)C1 2247559189 OXSOSIDRFGKGOE-BXFSZVDSSA-N 437.537 1.733 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255533762 XVFBSXKGNJNENE-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)n1 2255653273 GSLPAVSTXFCQSE-CYBMUJFWSA-N 436.318 1.390 30 10 IDEE Cn1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)nc1B1OC(C)(C)C(C)(C)O1 2255655279 KDSNJXVAJMLGOI-CQSZACIVSA-N 434.346 1.752 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2255697543 BWERHTGMFSUHCP-IBGZPJMESA-N 428.338 1.974 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255825048 STPKXGRIRKRZLC-KGLIPLIRSA-N 434.346 1.813 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)n1 2255932049 VVNYXADLBXJIBV-UHFFFAOYSA-N 446.382 1.226 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2256679749 ZABHLMKTGGSAAL-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NCC[C@@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267141452 WWUOCCSKFUGMEG-GOSISDBHSA-N 440.353 1.730 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1 2267177504 OMDVHEDLRATTGA-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)o1 2267268602 WODBAEPMOWLEOM-UHFFFAOYSA-N 445.285 1.463 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267495044 XDIFCZBXAXDEDR-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267516920 LCQCXXCXVIZCQS-YOENINGUSA-N 448.329 1.119 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2267550210 WNCVTKLDOXGLLK-GJZGRUSLSA-N 444.341 1.715 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269047303 QMAGSNBTHBXXLO-RHSMWYFYSA-N 443.309 1.508 30 10 IDEE C=C[C@@]1(C)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270524997 CVBPRCOIUBTICM-APWZRJJASA-N 426.491 1.061 30 10 IDEE CON(CCN)S(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282416509 XBASSIXYDVTQKH-UHFFFAOYSA-N 425.143 1.803 30 10 IDEE CC#CCN(CC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1)C(=O)OC(C)(C)C 2300539943 SMAOIWXUKLYQFQ-IRXDYDNUSA-N 439.553 1.981 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2341157699 KICGUPPHWWJSLU-KKUMJFAQSA-N 446.357 1.847 30 10 IDEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2O)n1)Nc1ccc2c(c1)C(=O)NC2=O 21040621 ZMHXFZZZNLIPDC-DNTJNYDQSA-N 437.441 1.571 30 10 IDEE N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)cc1 257178195 FXUVLZJPPOVPFD-UHFFFAOYSA-N 426.542 1.961 30 10 IDEE C=CCNC(=O)CNC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 474458933 VVFCFDJYCYFGNX-WMZOPIPTSA-N 430.505 1.272 30 10 IDEE COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489110848 NZSZMWVITODLRZ-UHFFFAOYSA-N 430.486 1.426 30 10 IDEE CCn1c(=O)nc(O)c2c(C(=O)N3CCN(c4ncccc4C#N)CC3)cc(C(C)C)nc21 498468950 BIMBGBZLKNGQIJ-UHFFFAOYSA-N 447.499 1.869 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1C#N 512720944 QBVXSUUDJZSOJK-UHFFFAOYSA-N 432.509 1.016 30 10 IDEE Cn1cc([C@@H](CNC(=O)Cc2cccc(C#N)c2)NC(=O)Cc2cccc(C#N)c2)cn1 533560879 ZTDHEEMGLHIPBG-JOCHJYFZSA-N 426.480 1.922 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc2c(cc1Br)NC(=O)CO2 542984885 UIZJTGIOFSVTDF-UHFFFAOYSA-N 437.294 1.468 30 10 IDEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C#N)n2)CC1 544881262 AMXOROVPOMNJCZ-HNNXBMFYSA-N 436.472 1.583 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)CC2)n1 546218702 QVXXVWHEDDGACC-UHFFFAOYSA-N 444.492 1.887 30 10 IDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ncc(Br)cn1 552386128 XVLSRVSRFCFKHH-NSHDSACASA-N 438.307 1.922 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)CC1 604129046 HMKZVYWQHMOVJO-UHFFFAOYSA-N 429.502 1.729 30 10 IDEE COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)cc1 609526253 ALZMOHLHXITGIW-SFHVURJKSA-N 436.512 1.908 30 10 IDEE N#Cc1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(F)c1 609574089 NRNIGAYDVFLZCR-SFHVURJKSA-N 439.495 1.792 30 10 IDEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 735970170 WQSVSKHYTAWEBZ-CQSZACIVSA-N 425.942 1.842 30 10 IDEE O=C(/C=C\c1cnc(N2CCOCC2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739430373 BLZYWXAPNUCDTE-PLNGDYQASA-N 449.554 1.897 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(Cl)c(Br)c1 758099580 BSYAJDPMSFEUNC-BUHFOSPRSA-N 434.699 1.907 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)ccc2c1=O 760841256 SSKRWIXPUQFALM-SFHVURJKSA-N 445.589 1.694 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1noc(Cc2ccccc2)n1 767632284 VNTRWPRSIIMDTK-CQSZACIVSA-N 426.454 1.942 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)c(C)o1 767952785 MDCOTKMGFAHFKB-QGZVFWFLSA-N 427.526 1.424 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@@H]2CC(=O)OCC)ccc1F 774075027 SMPCPTIYDZBRHV-HUUCEWRRSA-N 428.482 1.473 30 10 IDEE C[C@@H](c1ncn(C)n1)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 780310066 BJDWIDXFHGKWBJ-BBRMVZONSA-N 447.540 1.715 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2=O)n1 788333234 XWHKLGHOTHPTRQ-SFHVURJKSA-N 430.892 1.959 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)n1 788665220 OWXCRMSVHQRCOV-UHFFFAOYSA-N 431.518 1.519 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)n1 789317666 PHLBPQSMSRHKQP-HXUWFJFHSA-N 440.573 1.435 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc4c(c3)CN(CC(N)=O)CC4)ccc2c1=O 790157804 LVNJNFUWGDCFDZ-UHFFFAOYSA-N 449.536 1.967 30 10 IDEE CCOC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCOCC1 795323244 FRHABZZSZKDOLI-XLNRJJMWSA-N 437.518 1.798 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 800776907 LJYRJQXKLOYDQT-IBGZPJMESA-N 445.520 1.904 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3cc(C#N)ccn3)ccc2F)CC1 800954678 GSHTYQJCVXHJLY-UHFFFAOYSA-N 431.449 1.197 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@]2(COC)OCCc3ccccc32)n1 811922650 PCRWWHYKUMRLBN-HSZRJFAPSA-N 426.517 1.789 30 10 IDEE CN1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@H](c2cnn(C)c2)C1 849498371 SPTQVQSRCQVZEN-FPOVZHCZSA-N 446.559 1.844 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 856532315 BMHCPPAGRIRSQQ-JKSUJKDBSA-N 449.330 1.860 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856615859 FFQJPDCARXQIDS-KSZLIROESA-N 429.521 1.951 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)n2)o1 1084508172 PNWILBWTFZTOKV-UHFFFAOYSA-N 431.438 1.513 30 10 IDEE CCN1CCC(N2CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)CC1 1142467845 DQZHWEAVEFCJJW-UHFFFAOYSA-N 447.605 1.429 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCC2(C#N)CCCC2)c1OC 1144669583 UQQVHCIYBYAOIS-UHFFFAOYSA-N 437.518 1.538 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 1151708955 KPSGDMVBGPOYJG-HNNXBMFYSA-N 445.944 1.940 30 10 IDEE CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1167521215 NGRJYZGSZAVBIA-ZCXUNETKSA-N 425.420 1.892 30 10 IDEE Cc1cc(I)cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1C 1167523731 QKRKXOZDPNJHSE-UHFFFAOYSA-N 438.225 1.472 30 10 IDEE C[C@@H](NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CN(C)CCN1C 1256466402 RQQBJGLTSFKIMZ-FOIQADDNSA-N 442.543 1.331 30 10 IDEE COCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 1264288942 BCTMFOXDIWHDLA-GDBMZVCRSA-N 439.921 1.227 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1286466936 MDRIFDFLGBWQFR-SFHVURJKSA-N 432.546 1.514 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOCC2)CC1 1286479550 VDMVOSYOZPKZPF-UHFFFAOYSA-N 444.530 1.625 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCOCC2)CC1 1286484432 NWJVLHPUXGPFQL-UHFFFAOYSA-N 442.539 1.474 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)CC1 1286566210 RDIVLFNWVMSFMB-LPHOPBHVSA-N 432.525 1.270 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C 1286672876 RHFREYAXQNUIBQ-INIZCTEOSA-N 425.599 1.991 30 10 IDEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286697834 HUFWKYNXDVRRDB-UHFFFAOYSA-N 425.537 1.788 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)C1 1286810398 QTDZJSWINQRCIL-DLBZAZTESA-N 441.623 1.010 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCS(C)(=O)=O)CCOC1 1288299437 AZPGLKJUSOJJKZ-HXUWFJFHSA-N 439.582 1.883 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1289350911 XEDIXARHJNBZPB-YKSBVNFPSA-N 448.479 1.934 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1291252424 TZMPYOFAYHXMEC-MCYOWCNASA-N 430.509 1.312 30 10 IDEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1300416911 LLRYMMZFYBBXDW-UHFFFAOYSA-N 426.546 1.845 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1300532336 RYKHBNIZPYPKMN-GOSISDBHSA-N 438.532 1.316 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1300537677 IEUGSDUJYBIIRX-SIKLNZKXSA-N 435.528 1.832 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300586440 CFDKNYGNNBOEGV-JOCHJYFZSA-N 447.587 1.670 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1300665506 KKZRDIJQMVXVQO-HXUWFJFHSA-N 437.548 1.627 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)CC1 1300700917 YPSQOSJCPSRNRC-KRWDZBQOSA-N 447.536 1.154 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1300848277 CEYZYRAEKIMSJI-ZIAGYGMSSA-N 448.387 1.756 30 10 IDEE C=C(Br)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1300863666 RCTXTIZXCYCXLB-KRWDZBQOSA-N 428.331 1.506 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1300916535 YIXUKGGGLYCRPC-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1N1CCOCC1 1301296052 DSODXMTUSREAMY-QGZVFWFLSA-N 432.550 1.082 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301585387 AICCCTGFYOBNHG-SFHVURJKSA-N 445.545 1.305 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1303531118 CNGJRBVPWIBKSQ-KBXCAEBGSA-N 430.486 1.383 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1306526851 BKXJNNZGPZNPOH-QHCPKHFHSA-N 448.531 1.955 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1309504697 AQONKCVBECRLEJ-OAHLLOKOSA-N 433.349 1.910 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(C(=O)OCC)CCCOC2)cc1 1310131465 MRUIIXFSYSOFOT-FQEVSTJZSA-N 439.534 1.975 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CCOCC1 1313044029 ZEVKRDDOXOPJQG-SFHVURJKSA-N 425.938 1.784 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H]1C 1315121611 WXJWSEQTSUGLAE-MAUKXSAKSA-N 426.477 1.509 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(=O)(=O)CC 1358900836 STDAWFOEUXFENS-BRWVUGGUSA-N 425.599 1.984 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCN(C(C)=O)CC1 1358946077 HIVBHNYLOZWVDY-UHFFFAOYSA-N 443.577 1.566 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358962651 UGHHEVAVMFZBSC-TXPKVOOTSA-N 440.591 1.014 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCC2 1358997412 RQYHHJLTKDEAFA-UHFFFAOYSA-N 434.529 1.319 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnn(C)c2C)CC1 1359044510 ICAIFXCBJCAKBG-GOSISDBHSA-N 425.537 1.228 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359059823 BHOIDEHGUFETPL-SFHVURJKSA-N 442.593 1.817 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1359132851 GWSNENGNZUGTKS-MRXNPFEDSA-N 426.539 1.162 30 10 IDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359199706 DYRPVEBNWZSQFE-GOSISDBHSA-N 442.549 1.900 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CC2(CCOCC2)C1 1360681478 QYFZJEZWJLMHDE-AUUYWEPGSA-N 440.545 1.537 30 10 IDEE C#CCC1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCC1 1439554406 GIUMTZRPUJFIEP-UHFFFAOYSA-N 429.498 1.637 30 10 IDEE C#CCN(C(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1456088168 UYIWUDAZRUODJJ-LSDHHAIUSA-N 436.534 1.285 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nn(C)cc2Br)ccc1F 1460195499 OBFKGHPWRDEHJN-UHFFFAOYSA-N 431.287 1.716 30 10 IDEE C=CCC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OCC 1468125456 MXGJYAWPAGOXGR-LJQANCHMSA-N 437.562 1.315 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 1471129942 SIFFFJGYDZGREL-UAPYVXQJSA-N 425.514 1.790 30 10 IDEE CC[C@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1497575519 NXIYCGAANCYAOE-YVHXKWHWSA-N 441.536 1.553 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1501192831 MMHFXBXIJQZHQJ-INIZCTEOSA-N 428.928 1.696 30 10 IDEE Cn1cccc1-c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(C)(=O)=O 1503672352 UCYULMGERDYTRD-MSOLQXFVSA-N 439.545 1.576 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)OC 1504578703 DIXMNYFCQBCJKV-RKVPGOIHSA-N 435.550 1.736 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCc1ccco1 1507525080 YCWKCXIAIQNFNY-OAHLLOKOSA-N 431.460 1.288 30 10 IDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507579413 WDEZXAOPUFMBJW-MOPGFXCFSA-N 432.569 1.158 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COc2ccccc2O1 1507703463 WCJIWGJZQXVIBD-QGZVFWFLSA-N 425.489 1.440 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1507813053 RUQSMOWJWFWWKT-RDJZCZTQSA-N 426.587 1.549 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C 1508094409 XSAKABVKXWNMNN-HOTGVXAUSA-N 434.541 1.877 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(=O)N(C)C)n1 1511125924 GEGJOYXZEFTLLP-INIZCTEOSA-N 446.519 1.114 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCOCCN(C)C 1512365608 ILIYETPZBGCUCN-QGZVFWFLSA-N 441.584 1.531 30 10 IDEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1514058586 IAHIAAJYMJZADV-KKSFZXQISA-N 429.546 1.993 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)c2ccccc2c1=O 1515945129 UKAYPFWLYSCPHL-IQMFZBJNSA-N 448.531 1.749 30 10 IDEE COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(S(C)(=O)=O)c1 1529540568 HHXTZBOWXKPZDY-OAHLLOKOSA-N 441.465 1.740 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OCC 1537003777 LXMPBQRGVXRGOV-MRXNPFEDSA-N 427.523 1.706 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1537005776 MCCRJQNTWXXBDL-FTLABTOESA-N 442.324 1.743 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(NC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1539204744 CQTOCLLTXJBTIB-SFHVURJKSA-N 430.534 1.355 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539423261 VEPSYRVSFSRTMM-LJQANCHMSA-N 432.546 1.809 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CC2)CC1 1539482736 OXNCMJFFBPMEAS-UHFFFAOYSA-N 429.471 1.638 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1539557522 WEVWGCSWHPTNPA-WIYYLYMNSA-N 435.594 1.285 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCCCO)C1CC1 1539803246 HNVOZTGZODUNPF-HNNXBMFYSA-N 433.962 1.105 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539977223 KPHULOZTOMADEK-KRWDZBQOSA-N 429.569 1.269 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCCC2)C1 1540862191 UXXIXVFBICKMJB-KRWDZBQOSA-N 438.536 1.292 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540873296 TZMQIGGODHURTD-INIZCTEOSA-N 430.578 1.926 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(O)(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1540876042 GBLJHCFFHFKVCE-KRWDZBQOSA-N 447.458 1.126 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C(=O)NC)C1 1540894990 ITTFTXZNFMJFLP-HNNXBMFYSA-N 446.577 1.823 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCSCC(F)(F)F 1541675808 YFPIMVDUPGUEMC-CQSZACIVSA-N 445.515 1.888 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(-n2cccn2)cc1 1541679248 VDFKHSADZUJMOB-IBGZPJMESA-N 434.504 1.573 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1COc2ccccc2O1 1541908537 PDUCCLJPBVMECW-QLFBSQMISA-N 434.522 1.467 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1541991825 LWRSVWBFWCYSOL-VCMOWOFXSA-N 425.493 1.786 30 10 IDEE Cc1nnc(N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543184358 JQLKLAUDCSKFRS-MDXPNVGLSA-N 445.524 1.462 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C 1545776289 BAYNBLKLZSRSTR-GUYCJALGSA-N 438.492 1.600 30 10 IDEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1555296371 FHVCCSQZFKUYON-HNAYVOBHSA-N 442.561 1.927 30 10 IDEE COCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555720089 YAJQLYOMBZPZON-LJQANCHMSA-N 442.520 1.529 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCOC2)c1 1555793947 DKOKFCVNHBPQES-NVXWUHKLSA-N 431.518 1.504 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)C1(CO)CCOCC1)c1cc[nH]n1 1557225770 SPWXYHZHJJNASW-HXUWFJFHSA-N 444.488 1.340 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CN1C(=O)OC(C)(C)C 1559022997 GVOKFOURJOBVCQ-GOEBONIOSA-N 436.534 1.741 30 10 IDEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCN(O)C1=O 1569564105 OIEXGZGUJJRZNV-GXTWGEPZSA-N 433.324 1.149 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1588053637 GLLQEGKCDYOGAG-ROUUACIJSA-N 445.545 1.251 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1588065111 UPQYIEPJSLZCKH-GOSISDBHSA-N 444.557 1.923 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(N2CCCC2)CCOCC1 1588659537 KUYLXXVEAPEGCD-UHFFFAOYSA-N 438.576 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCO[C@@H]2CCOC2)CC1 1588930263 RDIQBSSLHDLRTC-WOJBJXKFSA-N 445.564 1.681 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1589493482 HOLXDTDJSJDVFP-MLHJIOFPSA-N 441.598 1.731 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(S(C)(=O)=O)CC1 1594943845 ZKNKFVZYTSKXKR-UHFFFAOYSA-N 438.579 1.438 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1595556331 RSOBKZRUSOLCIT-IBGZPJMESA-N 440.523 1.901 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1595569605 KFYKEQUYVWQUII-SFHVURJKSA-N 427.553 1.573 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595745408 RRGOKSJQXYIMQF-SIKLNZKXSA-N 446.573 1.394 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1595785333 XGIHWGGZECMFKA-GOSISDBHSA-N 443.533 1.043 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1595866353 HRMJGMIXWXHMJY-UHFFFAOYSA-N 429.550 1.723 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CCO1 1618692882 GVPQBOQNOUBFTO-IRXDYDNUSA-N 444.586 1.617 30 10 IDEE COc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1619302036 GUHFAOJBKAHSBF-QAPCUYQASA-N 428.493 1.621 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1620324924 IJYXUOUTSHGMPD-XSAFGROZSA-N 444.536 1.702 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1620356553 BIKIKACXJXUPOQ-QGZVFWFLSA-N 428.468 1.771 30 10 IDEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@@H]1O 1620537864 GRJOWRWLVAZQJJ-JXFKEZNVSA-N 446.548 1.412 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCc1ccccc1OC(F)(F)F)c1cc[nH]n1 1622862475 LAQGZAXYJIFUPD-UHFFFAOYSA-N 428.367 1.951 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1O 1623733520 XXMURTQPUMREDU-GFCCVEGCSA-N 448.888 1.817 30 10 IDEE CC(C)(C)OC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[nH]n1 1624067294 MWVSXGDRTFFDGF-UHFFFAOYSA-N 445.501 1.383 30 10 IDEE CCS(=O)(=O)NC1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1625598978 GSEAFROLEIPVAH-UHFFFAOYSA-N 430.324 1.630 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CNC(=O)N2CCCC2)CC1 1628596608 CZSHFCPMNYUVQH-QGZVFWFLSA-N 434.338 1.963 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1633362982 RXECHQKAFZSQBI-DQPZFDDXSA-N 427.436 1.084 30 10 IDEE C[C@H](CC(=O)NCc1ncc(C(F)(F)F)cn1)/N=C1/NS(=O)(=O)c2ccccc21 1635949397 CUJQAHRCWDJSCJ-SNVBAGLBSA-N 427.408 1.629 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 1635994239 ZMZAISPDWTYVOK-SFHVURJKSA-N 432.565 1.307 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1638509120 RJEDBRCFOZFAOI-UHFFFAOYSA-N 428.536 1.168 30 10 IDEE C#CCn1cc(CNC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 1640012687 HHIUVIWYRGVUEP-UHFFFAOYSA-N 428.436 1.910 30 10 IDEE N#Cc1ccc(C2(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCOCC2)cc1 1642632776 MCYLXDXLQGRFNH-UHFFFAOYSA-N 425.466 1.525 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)c1cc[nH]n1 1644721133 MWAIQXNFRZVPLV-UHFFFAOYSA-N 434.302 1.778 30 10 IDEE COCc1ccc([C@H]2COCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)o1 1645042850 HFJUBNPBUGUGRG-MRXNPFEDSA-N 433.486 1.455 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCc3nc(C#N)cs3)CS(=O)(=O)[C@H]2C1 1647979578 FPFWILMWMGKZFA-YUTCNCBUSA-N 440.547 1.301 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1sccc1S(=O)(=O)N1CCOCC1)C2 1653211241 VKTPBDWWTZSPRB-UHFFFAOYSA-N 438.556 1.483 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3cc(C(=O)OCC)nn3C[C@@H]2C)c1 1666222085 SKNKAUHMBQGROB-AWEZNQCLSA-N 432.502 1.569 30 10 IDEE C#CCN(C(=O)Nc1scc(C(=O)OCC)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1672440468 PBRYIYUPBNWONV-GFCCVEGCSA-N 442.515 1.756 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)C1 1679944181 ILKFDJIMXZMRID-BFHYXJOUSA-N 425.486 1.596 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 1683425714 RCQIEVJDQQUEFS-LAUBAEHRSA-N 427.549 1.804 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2)cc1 1683484687 HHLLJUPMTOMIEN-HSZRJFAPSA-N 434.544 1.994 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCOCC1 1689840235 VZRQVVYSTTXTJJ-KRWDZBQOSA-N 435.536 1.490 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1689852801 KUCMXJXIMUBTRR-JXFKEZNVSA-N 443.573 1.995 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1689960863 BAJSRCXIJKSNAB-UHFFFAOYSA-N 449.559 1.855 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689989096 BDXFSSMZDNDNLE-VAMGGRTRSA-N 444.557 1.796 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1690013474 PXDQUCDNEYXBGW-HSZRJFAPSA-N 448.552 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cnnn1 1690035683 HILVDUAZQKFVSV-UHFFFAOYSA-N 426.488 1.875 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccn(CC)c2=O)CC1 1690125815 ODUGDDJXDIQLCN-UHFFFAOYSA-N 434.519 1.993 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(N)=O)C1 1690681105 GNTHZDYBPDTZCO-KRWDZBQOSA-N 447.499 1.850 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690742038 DZCHTTXCZPSVGV-CYBMUJFWSA-N 441.579 1.794 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690742653 XHANCMOSAKTXOH-HUUCEWRRSA-N 427.596 1.552 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1692637751 QGTLPLXBSSJFIZ-VFNWGFHPSA-N 428.493 1.499 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2c(c1)COCC2 1692777726 XVQGWWYDOPGYEC-OAHLLOKOSA-N 444.561 1.749 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1697617617 DNBINRTXTWYYAR-DHMKHTPVSA-N 431.518 1.506 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2cnn(C)c2)n1 1705631322 AESOPBNMXXFUGC-LJQANCHMSA-N 438.536 1.437 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1705865898 AIDNLZARYNPUFA-KXBFYZLASA-N 438.575 1.586 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOCC2(CC2)C1 1705906596 JWRQUIIAYAXAQB-UHFFFAOYSA-N 427.505 1.785 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCCCCC2)C1 1705917343 WERJJVZDNXLRJO-DLBZAZTESA-N 441.598 1.755 30 10 IDEE CC(C)CN(c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1706492611 XPWCTULSBUMYQW-UDJKBAMHSA-N 429.525 1.626 30 10 IDEE Cc1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1707918939 BTTZLKFSVYIQIC-ONNQFXDFSA-N 426.452 1.830 30 10 IDEE CCCN1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1709759331 XJELQKMTVIQTHK-SFHVURJKSA-N 438.536 1.776 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1710688824 JTRAYPAAQCUCNE-FCEWJHQRSA-N 440.545 1.461 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1722384192 URDRMYKWSKPFIC-IRXDYDNUSA-N 425.455 1.508 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1722400572 SZJDFMMAERUFGW-HXUWFJFHSA-N 435.532 1.330 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3ccccc3)CC2)CC1 1722431804 OBPNJDXQBVMQEQ-SFHVURJKSA-N 442.589 1.375 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1722458211 FZMAOSDMBGKLKF-IAGOWNOFSA-N 446.621 1.974 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1722492545 CASYSWLXOKKUIJ-LNLFQRSKSA-N 430.553 1.599 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ncccc2F)CC1 1722574637 OROBZSQSJROJQE-CQSZACIVSA-N 438.529 1.904 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1722618380 QIODYNXEHKGJKU-QGZVFWFLSA-N 439.582 1.584 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1722656887 LBMLIZHTWMGKPY-FDDCHVKYSA-N 433.516 1.772 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1722673489 UFTPSUSNQWZQOH-GOSISDBHSA-N 441.561 1.592 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(NC(N)=O)cc2)C1 1722713132 DJVDEQYTUUBEJP-SJORKVTESA-N 425.493 1.549 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1722732370 LBBMIOLZYCFUHF-DLBZAZTESA-N 442.655 1.872 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1722863141 HYQAZJUUUBNAJD-CHWSQXEVSA-N 437.501 1.262 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1724029864 DHWILSPLFHWWOP-UHFFFAOYSA-N 434.447 1.725 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1729566174 CCOPAMPVIWAATP-CHWSQXEVSA-N 434.298 1.053 30 10 IDEE CN1C[C@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)C1=O 1729595267 SFAZJAGMFFOUEJ-HXUWFJFHSA-N 427.534 1.488 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1730691224 OIXDKKFFGVSXSE-NRFANRHFSA-N 439.564 1.306 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CC(=O)NCC(F)F)c1 1731182291 XJTCBRLESSCUEA-HXUWFJFHSA-N 432.431 1.194 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1740548960 CNHSJDRDRPMTBA-XLIONFOSSA-N 438.557 1.931 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C(C)C 1740684016 INLKUYBDQLUVOV-QHCPKHFHSA-N 438.532 1.685 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1740696511 VZORMZQAYVDYCJ-UHFFFAOYSA-N 444.605 1.512 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCn2ccnn2)CC1 1740699720 QJNXRNVLICFEEG-UHFFFAOYSA-N 434.548 1.911 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740953519 IRDLRAAGWBALDE-MRXNPFEDSA-N 441.492 1.460 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCc1cccc(C(=O)N(C)C)c1 1741123527 FHONIKBRYXYQAG-MRXNPFEDSA-N 425.537 1.957 30 10 IDEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CC1 1741950481 AVFISAXISFUSMK-WIYYLYMNSA-N 429.546 1.991 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1748825611 ATALJHXZTSHLPX-ZDUSSCGKSA-N 440.451 1.423 30 10 IDEE CO[C@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749157429 CJNZCODFPLDTQR-MOPGFXCFSA-N 444.561 1.713 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1(C)C 1749220770 FRFQPHQSUQIGGK-XMSQKQJNSA-N 427.505 1.741 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749655089 COLSULOGBZKSDO-GOSISDBHSA-N 448.325 1.054 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749672049 OLQCKWAMYBTBDN-CABCVRRESA-N 437.541 1.568 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCOC2(CCOCC2)C1 1749676246 JUMGDYQKGBYMJU-UHFFFAOYSA-N 441.532 1.566 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(C)c1 1749677797 LDIHNJPLZYYFHZ-UHFFFAOYSA-N 426.521 1.656 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749700633 MCKYEEAGSUMNOR-CABCVRRESA-N 445.911 1.763 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1752429293 YCUJWQYVIJQHOX-QGZVFWFLSA-N 439.564 1.888 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760182948 KZZWOIZOZZXHGE-LJQANCHMSA-N 435.513 1.225 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1760184382 WPEYIONBJBVIDK-BRWVUGGUSA-N 442.607 1.243 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1760217719 KETMRIQVYGNBHR-MRXNPFEDSA-N 444.337 1.741 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760218203 AJJLKSSRMHMZEP-VQTJNVASSA-N 426.565 1.188 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNS(C)(=O)=O 1760290698 NHRIQJHWCYEEFP-WOJBJXKFSA-N 439.582 1.250 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760449802 VLJMJLNKHBAYBX-INIZCTEOSA-N 428.493 1.377 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](OC)C1 1760529088 WSBIKAXBEAMUAF-CVEARBPZSA-N 434.541 1.877 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760546286 MITFJGDFXHHLMD-ZREAOVPFSA-N 449.515 1.572 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1760552868 DIJPNDDPPHDCTF-UHFFFAOYSA-N 447.561 1.613 30 10 IDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1761524798 WCHUYSFGTMTNPA-XXHMAFKTSA-N 428.468 1.764 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)C1 1767251729 CEGKKMQEHRWANA-AYOQOUSVSA-N 444.561 1.760 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1767729759 ZVXSGCBZBXNACM-SFHVURJKSA-N 440.435 1.460 30 10 IDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(CCC#N)CC2CC2)C1 1769064345 GBTDVVFBKGJJOG-HSZRJFAPSA-N 435.532 1.925 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1770783537 ZXYXSRQEOFOZEA-SFHVURJKSA-N 441.511 1.697 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CCN1S(C)(=O)=O 1771500542 XEJSYXHGZSINGZ-LPHOPBHVSA-N 442.545 1.632 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2nnnn2-c2ccc(F)cc2)cc1 1851736177 AJPLIYAZUDTZEG-OAQYLSRUSA-N 438.463 1.969 30 10 IDEE Cn1cc(C#CCNC(=O)[C@@H]2CC(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 1853117054 ZXOZIMFNRKMCCI-QGZVFWFLSA-N 429.521 1.136 30 10 IDEE CC[C@@H](C)CC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854321754 PTJRAHVQMRWZTJ-SJLPKXTDSA-N 432.546 1.428 30 10 IDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1856848477 NTDUAZJSYCHFMW-LJQANCHMSA-N 433.574 1.562 30 10 IDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)C[C@H]2CCOC2)CC1 1857272160 SEKWNMHXZBIRNS-MRXNPFEDSA-N 431.514 1.843 30 10 IDEE Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)cc1S(=O)(=O)N(C)C 1858301868 ZMGZDHKBNRGIIT-IBGZPJMESA-N 440.525 1.762 30 10 IDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 1861579843 OYPWVTCHOWWLDY-FHTYSXSTSA-N 439.306 1.744 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871534933 FEPGJLUOAVWTGC-UHFFFAOYSA-N 427.509 1.017 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cn(C)c3ccccc23)CC1=O 1874338465 RJYJSOURLSMEQH-BEZFBIGFSA-N 439.545 1.954 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)CCc3ccccc3)CC2)CC1 1890480008 FVSRAZYTSQGFQV-UHFFFAOYSA-N 433.618 1.681 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 1987532718 MWOBJNLZHBFJDH-BZUAXINKSA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)(C(N)=O)CC1 2006228489 QAZQCOCGLMYXML-UHFFFAOYSA-N 426.333 1.069 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060623864 RNYRJCOPFZKMQK-KRWDZBQOSA-N 434.342 1.530 30 10 IDEE N#Cc1cc(F)c(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)cc1Br 2174810509 NHBIQVJMOMFVDV-BDAKNGLRSA-N 437.191 1.819 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC)B1OC(C)(C)C(C)(C)O1 2247905463 UHCKRHNWEGHUII-HUUCEWRRSA-N 446.375 1.728 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248404323 LSYDVRLZXMJGBI-DGCLKSJQSA-N 441.359 1.333 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2251732532 XZAGWFZOAPHJNH-JOCHJYFZSA-N 432.517 1.303 30 10 IDEE C=C(CNC(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1)B1OC(C)(C)C(C)(C)O1 2254014341 PRRLUWMBPYVSPB-OAGGEKHMSA-N 438.330 1.694 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)n1 2255635999 OFUZTAVJKWXXJT-CQSZACIVSA-N 434.346 1.941 30 10 IDEE CC1(C)OB(c2cccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2F)OC1(C)C 2255764328 AFLQDLJSXLBQON-UHFFFAOYSA-N 430.207 1.875 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2255877793 NAASDILIAREZLP-HNNXBMFYSA-N 437.346 1.423 30 10 IDEE Cc1nc(NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256675954 LBOWGBNLFNYWAZ-AWEZNQCLSA-N 436.318 1.298 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256678171 BEZDWFQQUPEVEE-CYBMUJFWSA-N 439.293 1.734 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]23)n1 2267176579 BTZICXRWRYYQFY-NUEKZKHPSA-N 446.357 1.847 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267479035 GUBJKZSBODHSMX-SJORKVTESA-N 447.341 1.745 30 10 IDEE Cn1ncc(C(=O)N2CC(C3CN(C(=O)OC(C)(C)C)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2267497384 LOMFDDSJMLTIFB-UHFFFAOYSA-N 446.357 1.658 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)n1 2312859761 GVSHUQQHYNRZPI-AEGPPILISA-N 432.330 1.457 30 10 IDEE COc1[nH]c(=NCC2(NC(=O)OC(C)(C)C)COC2)ccc1B1OC(C)(C)C(C)(C)O1 2317503195 KHZOGJBCKORGGV-UHFFFAOYSA-N 435.330 1.517 30 10 IDEE Cc1cc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320564616 OAQLPPFUOVUXHJ-QGZVFWFLSA-N 434.342 1.796 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2[nH]c(=N)ccc2Br)CCN1Cc1ccccc1 2342441941 SAVBJTXHBDYBTI-AWEZNQCLSA-N 436.335 1.655 30 10 IDEE CC1(C)Cc2c(C#N)c(SCC(=O)N3CCOCC3)nc(N3CCOCC3)c2CO1 21150618 NPYZKJZGTNOKKR-UHFFFAOYSA-N 432.546 1.592 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 108490692 UHRGMOXUVGYDTL-FQEVSTJZSA-N 439.541 1.764 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)NCc2ccccc2-c2ccc(Cn3cncn3)cc2)CCO1 409571138 TTYKPTACVURTAU-HXUWFJFHSA-N 438.513 1.552 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)ccc1Cl 433479126 VBWOPFNXATXKJI-AWEZNQCLSA-N 445.884 1.897 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(-n4cnc(N(C)C)n4)c3)CC2)c1C#N 441774584 DUDNFKBLPOILRW-UHFFFAOYSA-N 434.508 1.601 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C(C)(C)C)cn1 480939864 TVKXQXRSTQZBET-NQIIRXRSSA-N 435.532 1.724 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 483095701 BRFHRXMXTPGMTN-CRAIPNDOSA-N 432.546 1.522 30 10 IDEE Cn1c(N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c(C#N)c(=O)n(C)c1=O 488751629 WFPQZHRCHPMGLF-YLJYHZDGSA-N 436.443 1.958 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(Oc3cnccn3)CC2)CC1 488763896 KQONKXZPRXIPDW-SFHVURJKSA-N 426.546 1.790 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 503883926 JWPGPSZIQNNAHR-LJQANCHMSA-N 447.538 1.826 30 10 IDEE COc1ccc(C[C@]2(C)NC(=O)N(CCS(=O)(=O)c3cccc(C#N)c3)C2=O)cc1 513784059 KIENCCMENZGQME-NRFANRHFSA-N 427.482 1.894 30 10 IDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 532804863 HWRWVTIYKKTAOK-LLVKDONJSA-N 425.454 1.840 30 10 IDEE COc1ccc(NC(=O)CN(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 533595667 VQAUPFJANACATN-HNNXBMFYSA-N 436.534 1.279 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)CC2)n1 544864353 CDDPTOWKCCJNPG-OALUTQOASA-N 439.516 1.584 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)OCCOCCC)nc1C 586305255 UQBULFZPWGSGPI-NDEPHWFRSA-N 432.520 1.451 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1-c1ccccc1C#N 604002711 LDIOZJUTXHTPBI-UHFFFAOYSA-N 426.910 1.735 30 10 IDEE C#CCN(C(=O)CSc1nnc(C)n1-c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 729331447 NHVDQQKKFKZOKX-INIZCTEOSA-N 434.543 1.325 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730140352 JZPOGLBNUIZNKO-WMZOPIPTSA-N 447.605 1.827 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 731289611 JAVSOTDITNYBCC-GOSISDBHSA-N 425.507 1.014 30 10 IDEE COc1ccc(CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1F 732465179 DFMJMZOVJKLPRB-FMQUCBEESA-N 431.468 1.188 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn(CCC)c2)c1=O 735069265 QVHBKFVCXQRYTJ-VQIMIIECSA-N 439.585 1.900 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 742395287 NUSKSQILEGQHDI-UHFFFAOYSA-N 434.905 1.587 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@H]2C)CC1 747736298 DGRQIRKCFYPJLF-ZBFHGGJFSA-N 427.501 1.900 30 10 IDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)c2cc(C#N)cn2C)CC1 751724008 IXXKRCVZODIRBZ-UHFFFAOYSA-N 437.500 1.399 30 10 IDEE CC(C)CN(C(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)[C@@H]1CCS(=O)(=O)C1 757703797 JLXWLYCKJRLHBK-QGZVFWFLSA-N 435.502 1.367 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 758542040 LDIQYVZXKIIUMN-SFHVURJKSA-N 439.534 1.918 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC2CCS(=O)(=O)CC2)C1=O 768419106 YGTCTUYRYGMJNZ-KRWDZBQOSA-N 448.570 1.841 30 10 IDEE CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780177652 UXNNKYDIXWAGBK-QFIPXVFZSA-N 437.537 1.897 30 10 IDEE N#CCCN(CCC#N)C(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2 782402644 PLEXJYJMMLKGKE-UHFFFAOYSA-N 435.234 1.593 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn1ccccc1=O 790681350 BFHWNTQTJVUUMH-OPAMFIHVSA-N 427.457 1.486 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(Br)c2C#N)n1 805082993 HKVINBHHEWOKKW-UHFFFAOYSA-N 437.319 1.988 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 916777851 CQVTWFUIHQQRRR-FQEVSTJZSA-N 425.510 1.986 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cn1 1084298210 YASPCOSESCGSCF-AWEZNQCLSA-N 425.522 1.790 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCNS(=O)(=O)c3cccs3)n[nH]2)c1C 1137667250 WCEZAGYYIXETQD-UHFFFAOYSA-N 434.547 1.846 30 10 IDEE Cc1cc2c(N3CC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C3)nccn2n1 1159648351 SNMAQLTWUFIWFB-INIZCTEOSA-N 427.509 1.930 30 10 IDEE CCOc1ccc(NC(=O)CN2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)N(CC)CC 1176577912 HJDVAEHWBDMVLY-FQEVSTJZSA-N 438.550 1.669 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 1179745697 WWLYPMDCIKHWTK-XKQJLSEDSA-N 434.518 1.445 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCc3ccccc3)nc2)CC1 1198456988 MWPHDDNPODDGQF-UHFFFAOYSA-N 429.502 1.278 30 10 IDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286355598 UHXULRVIOWIXFN-UHFFFAOYSA-N 431.562 1.831 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1286421523 YMKFHWVAQNPVHN-QGZVFWFLSA-N 443.573 1.627 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)CCOC)CC1 1286473880 UINZFUNUILNXRM-OAQYLSRUSA-N 428.493 1.396 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1286485287 IITJTZSHCAUVPW-GOSISDBHSA-N 430.553 1.752 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C 1286518351 DYAFMLPEWZGVRM-PEQUMZMZSA-N 429.612 1.428 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1286768066 PDORSDKQNGRXFU-UHFFFAOYSA-N 434.504 1.797 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1286782413 TXWDQGJVMLSCOZ-WMZOPIPTSA-N 444.561 1.486 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286782885 CCKGBPIZNPSUFY-NVXWUHKLSA-N 445.520 1.505 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1288177307 DFVWISBOPWKTLQ-GOSISDBHSA-N 437.587 1.886 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1288550469 BXHJSCMACNVFRK-ILHIWHGASA-N 430.534 1.340 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1298046712 JWGXIWSQNADHFT-CABCVRRESA-N 433.324 1.447 30 10 IDEE C#CC[C@@]1(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1298093338 OOGPWRFIRZHNAZ-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE Cc1ccc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1299977840 IJBHCCGFJSZNFH-IBGZPJMESA-N 435.546 1.485 30 10 IDEE COc1ccc(OC)c(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1300259855 CBRBMNYQMMAGQU-QGZVFWFLSA-N 426.477 1.195 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300635291 IMTDWXQYYZOSNE-QGZVFWFLSA-N 439.486 1.862 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCCC)CC1 1300681333 NGENMIMBOHRXRN-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1300850036 VORXDFLOHDOVHG-FVQBIDKESA-N 426.359 1.848 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300880806 KVOTYKUAOGCKHA-PZJWPPBQSA-N 439.564 1.532 30 10 IDEE C=CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1301320546 HQXWLNGRIAYVGE-OAQYLSRUSA-N 448.545 1.667 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C(N)=O)CC2)cc1 1301529733 MSRHHGMBMLXUPX-UHFFFAOYSA-N 438.532 1.715 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CCc2ccccc2)nnc1N1CCCOCC1 1303096852 VQSBVSRTKFTKIN-QURGRASLSA-N 436.516 1.816 30 10 IDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OCC 1303111494 JQKDMFQHTJEDDT-INIZCTEOSA-N 426.539 1.441 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CCCCCCS(N)(=O)=O)c(=O)c1C#N 1306834296 PZBBLQHCXZKAOK-UHFFFAOYSA-N 433.328 1.408 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC[C@H]2COCCO2)cc1 1316533246 IWJUWBUJUNLNBJ-SFHVURJKSA-N 431.518 1.103 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2)NC(=O)NC1=O 1338277813 VBGNOHBGCDOIBU-DEOSSOPVSA-N 446.511 1.640 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1358885019 BDFHLGGOPHTFDH-MRXNPFEDSA-N 433.516 1.996 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1358890415 PAIVHYVINCRSPS-LPHOPBHVSA-N 447.561 1.320 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1358955173 GCQKLUDDHCDEHR-CYBMUJFWSA-N 440.463 1.945 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358965019 MGWFGQWALYHQHQ-SFHVURJKSA-N 432.546 1.541 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)c1 1358970256 JMUIDDUUVVIYAM-VWLOTQADSA-N 449.555 1.888 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCS(=O)(=O)CC1 1359004818 KUHVREIZPGGENH-UHFFFAOYSA-N 440.533 1.205 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCN1CCCS1(=O)=O 1359019706 DMLMTICDVOSKSD-UHFFFAOYSA-N 443.529 1.813 30 10 IDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1359050946 HVPOEMPZNHSYFM-SFHVURJKSA-N 445.545 1.280 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359303946 GIMVPJXDZHHIPD-MBSDFSHPSA-N 441.532 1.852 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1359605062 QPNVWHCBOIFTSD-HSZRJFAPSA-N 440.548 1.801 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CC2CC(F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1360176032 XEYBBDQZOLIUHE-VLGSPTGOSA-N 433.488 1.127 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N2CC[C@](C)(C#N)C2)c1 1437899027 KFWJDPAFLCVDDP-OAHLLOKOSA-N 447.298 1.917 30 10 IDEE COC(=O)c1ccc2c(n1)CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1463354682 DICDRSPCSBOEJD-QGZVFWFLSA-N 447.451 1.530 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C(=O)OC 1464259112 XTFGPXQGFYVAOG-NSHDSACASA-N 446.323 1.426 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)OCC 1475579097 OQCUBXFUKODHSL-LLVKDONJSA-N 425.290 1.557 30 10 IDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1475844839 MRMSORWXDGSMBL-INIZCTEOSA-N 425.507 1.002 30 10 IDEE Cn1nccc1[C@H](O)C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1478419871 GKBUTEYNBYYNHC-PZJWPPBQSA-N 436.516 1.942 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1502714686 PFEZUIQBKZCNHI-QVKFZJNVSA-N 428.493 1.500 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1507539548 WOCGVNANCJIGDB-ZWOKBUDYSA-N 439.516 1.743 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1507626266 FCSHDVRQYJMGPU-INIZCTEOSA-N 446.920 1.965 30 10 IDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507633321 FWJJWVUEYJVAKP-CRAIPNDOSA-N 446.529 1.188 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1507723699 RDCYUUUKZKFRJF-NRFANRHFSA-N 437.592 1.761 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1507984593 YTAUDEYXHHXJLL-UHFFFAOYSA-N 445.593 1.899 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508079486 XLIFXILVVDLXRM-GOSISDBHSA-N 449.515 1.137 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1508087084 NJPKJGJHQJVKJP-LSDHHAIUSA-N 429.525 1.227 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC[C@@H]2C)C1 1508126593 IFUQUZUFINKYIQ-MUGJNUQGSA-N 435.569 1.504 30 10 IDEE CC(C)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508924723 KSJHUVGNCNECGH-ZPHPHTNESA-N 432.525 1.763 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)O)c2ccccc2c1=O 1514992390 GZZFKILFALBXGR-OAHLLOKOSA-N 437.504 1.565 30 10 IDEE CCOCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(C#N)o1 1516533886 SVXGFPAXKWQXLW-SFHVURJKSA-N 427.553 1.932 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1518336128 NXGPGHJIWVDDOR-WOJBJXKFSA-N 443.504 1.790 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1(C)C 1518604871 MYZSWVKXEZKCMU-SFHVURJKSA-N 444.561 1.713 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1(C)C 1518605566 AKGDOPMKZFXXJP-DLBZAZTESA-N 437.504 1.666 30 10 IDEE CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1520014926 ABJKRYNOTKCRPN-KRWDZBQOSA-N 431.566 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(=O)NCC#N)c1cccc(Br)c1 1520737259 KLPMBLGWUGSTTG-CQSZACIVSA-N 425.283 1.771 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C(N)=O)c1ccccn1 1523059343 DXKLKGMSVKTSRV-INIZCTEOSA-N 433.262 1.836 30 10 IDEE C#C[C@H](NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccc(Br)cc1 1525055241 ZIJQGYFLJMHESE-ZZZWFLLUSA-N 431.286 1.791 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1539011504 CANOSWRGBIVENZ-YLJYHZDGSA-N 445.589 1.874 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(-c2ccccc2)c1C 1539149621 UZRIIHIBHWJWLC-INIZCTEOSA-N 441.561 1.809 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2Cl)CC1 1539459848 PWRFNXBXFNHCES-UHFFFAOYSA-N 442.951 1.888 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1539803353 HYQFUTREWJEJIF-AFIMGQEJSA-N 430.958 1.705 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1540139718 KOUZRPGGTQSHJL-UHFFFAOYSA-N 438.579 1.317 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 1544028636 WBUDJEOROOTSPF-YLJYHZDGSA-N 439.516 1.380 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1548215884 CEOVZAYABHNGCL-WMZOPIPTSA-N 437.504 1.668 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C1 1554542154 BGUWNVWIAJPBNP-KRWDZBQOSA-N 435.488 1.818 30 10 IDEE C#CCN(C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)[C@H]1CCS(=O)(=O)C1 1565076623 OGZZEHWCXCQDCE-ROUUACIJSA-N 425.938 1.377 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1568507708 GWWZCUWWQYECCS-IBGZPJMESA-N 440.456 1.526 30 10 IDEE CC1CCN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2[N+](=O)[O-])CC1 1585131766 FQEZTFFFDDATCY-JXFKEZNVSA-N 432.502 1.841 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCS(=O)(=O)N2CCCC2)CC1 1585322607 GRQHJTDAIPTWKN-UHFFFAOYSA-N 447.517 1.564 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1588068977 DHUQRZIJYJUAPL-MJGOQNOKSA-N 441.557 1.943 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1588806351 NZKLDBRTJPXOGI-OALUTQOASA-N 426.496 1.511 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCc2ccccc2)CC1 1588837460 VDEDKCBPRSVDLO-FQEVSTJZSA-N 443.573 1.152 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589042872 QDWVPGAZQBBTTO-NRFANRHFSA-N 439.545 1.521 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589530861 YVBZUCUSWJHGFM-WDSOQIARSA-N 429.525 1.001 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(Cc1nn[nH]n1)CC(C)C 1593753345 WJTXWAZCIMEOKK-HNNXBMFYSA-N 433.538 1.338 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1595755588 YYVGJTPLDVBKNO-UHFFFAOYSA-N 443.961 1.040 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595879007 UDXICAIIRYAELU-OAHLLOKOSA-N 429.612 1.561 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)c1 1606872162 JUIBJXFKPOMLHW-UHFFFAOYSA-N 427.482 1.182 30 10 IDEE C#CCOCCN(C)C(=O)c1cc(I)ccc1N1CCOCC1 1608104609 PAWVNGMXRRQYLK-UHFFFAOYSA-N 428.270 1.850 30 10 IDEE CCC(O)(CC)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1613670196 BCUDNZVDUDGWJC-GOSISDBHSA-N 440.552 1.732 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1614303594 LLCANLBULAGFTF-YOEHRIQHSA-N 425.493 1.627 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615880687 MWGHIOLFTMHLQU-JQVVWYNYSA-N 433.576 1.888 30 10 IDEE C=CCO[C@@H]1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1616569331 KQMMCFXVKJVIHK-HXUWFJFHSA-N 437.562 1.548 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1620062628 CAULIRSNKSGMFZ-DENIHFKCSA-N 443.504 1.122 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1620075798 OWIWSLOJMONQPP-LJQANCHMSA-N 439.520 1.520 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)C1 1626098724 RIOOOCSJMWTYAY-GOSISDBHSA-N 434.562 1.489 30 10 IDEE C#CCN(CC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)C(=O)OC(C)(C)C 1627643671 HYVHDCGXPWNYOG-UHFFFAOYSA-N 446.523 1.570 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 1627789884 FFCSEBDCVWGZBI-OAQYLSRUSA-N 447.543 1.514 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCCc2c1ccc(=O)n2C)/N=C1/NS(=O)(=O)c2ccccc21 1628308796 HHNGKRORYNVOIX-CJNGLKHVSA-N 428.514 1.396 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cccc(C#CCO)c4)CC3)C2=O)n(C)n1 1632751124 VNFDXEIKCVJFDW-OAQYLSRUSA-N 435.528 1.026 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 1632960426 GNOSOECRKCXUEQ-UHFFFAOYSA-N 444.469 1.613 30 10 IDEE C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635777091 JSCDMKBGDMUMMR-VCBZYWHSSA-N 428.555 1.650 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(c3ccc(OCC)cc3)CC2(Cl)Cl)CC1 1635992886 DKTOZLHYYLCHTA-HXUWFJFHSA-N 438.355 1.794 30 10 IDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1638001521 QNXKOJNTJGLCTL-GOSISDBHSA-N 430.486 1.650 30 10 IDEE C=CCn1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)nn1 1639561283 KFCSHVJKPGHZRZ-HNNXBMFYSA-N 439.563 1.381 30 10 IDEE C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1639932431 IXFVLPVROJDFEU-RDTXWAMCSA-N 443.529 1.824 30 10 IDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1640683074 PMHMOPPNSRBOEP-MRXNPFEDSA-N 432.424 1.019 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](n3ccnn3)CC2)CC1 1643996286 UCUUOPPUVDRTAF-NHCUHLMSSA-N 425.512 1.853 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C2 1646251191 USTLEIXYPUOBRA-KRZKXXONSA-N 449.536 1.890 30 10 IDEE C#CCCN(CCOC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1647851272 XTUQXNKPNVZXPV-UHFFFAOYSA-N 443.953 1.271 30 10 IDEE C#CCN1CCC[C@H]1C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1653253183 BPIPYJLIZXAQNK-FPOVZHCZSA-N 434.378 1.898 30 10 IDEE C#CCN1CCC[C@H]1C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1653253184 BPIPYJLIZXAQNK-PZJWPPBQSA-N 434.378 1.898 30 10 IDEE C=CCC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1660072268 IXQRKOFGHLQDQR-OAHLLOKOSA-N 426.539 1.222 30 10 IDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1F 1661085286 HTKYVPUMSQNDHN-UHFFFAOYSA-N 431.489 1.919 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)c1 1661922454 IJHZZFPGSTZBIX-UHFFFAOYSA-N 430.486 1.486 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1689851484 RLYQDYFTXXIPHH-YJBOKZPZSA-N 429.546 1.436 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690045485 KYKUEYCKXPXYPG-IBGZPJMESA-N 439.541 1.285 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1690117904 ZTAOJKVBFMJRJG-QHCPKHFHSA-N 438.532 1.196 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1690124264 IEZCNVURWNQMGN-KRWDZBQOSA-N 442.530 1.885 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCCn2ccnn2)CC1 1690150514 KXZYYQFWIHKWMD-UHFFFAOYSA-N 446.559 1.711 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1690292788 SDUJIYGEZSVPOQ-PMACEKPBSA-N 429.613 1.971 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)NC(C)C)CC1 1690417450 RWLYEIMYNUSGKT-ROUUACIJSA-N 441.598 1.732 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCCCC1 1690526991 HUAFAEDKJPACGS-KRWDZBQOSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)C[C@@H]1CCCO1 1690669619 KEPPCGQVJYIGKV-HNNXBMFYSA-N 437.504 1.901 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(N)=O)C1 1690685085 VDCFNJMGNOCRCV-HBFSDRIKSA-N 441.532 1.927 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1CC1 1692792110 CFJIDHAIOAIVCK-HNNXBMFYSA-N 444.565 1.282 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CC1 1695866920 BQRIWUDEKJVUAO-GOSISDBHSA-N 441.605 1.411 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCC1 1698156119 UUSZIQIRROBAMS-CQSZACIVSA-N 428.493 1.452 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705528925 XDLMWMPBUDPWDZ-UHFFFAOYSA-N 445.545 1.995 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705533398 XEWWZEPLZDHUQD-NHCUHLMSSA-N 430.597 1.427 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705559736 AWUJGWQTCZEBMU-GOSISDBHSA-N 425.514 1.358 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705567105 UCUSXTLKZWNVBF-ZWKOTPCHSA-N 443.577 1.236 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705647447 FDNIZOPLXPYHPI-ZCNNSNEGSA-N 445.564 1.189 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1705883061 UGWFNQJVMSBPLE-UHFFFAOYSA-N 441.410 1.991 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705898755 WPVYMKPRKNRJPS-QGZVFWFLSA-N 426.521 1.751 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705903236 RPYSMCOPJNGZHN-DLBZAZTESA-N 432.569 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCNC(=O)CC1 1705930383 LZJJVVXVSHVYNR-GOSISDBHSA-N 431.562 1.747 30 10 IDEE COCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712615365 IJRICZIHGFMOQW-LJQANCHMSA-N 426.521 1.793 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722358849 MOEKBVPZIZEXDB-IRXDYDNUSA-N 437.566 1.002 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1722428906 LMRWVTXJYKSYLJ-QTIQAUKSSA-N 428.493 1.132 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(C)C)nc1 1722446599 FGRKBTMPIMSTQQ-UHFFFAOYSA-N 437.504 1.601 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722523334 NTMCYUMBLBJHDC-MGPQQGTHSA-N 437.488 1.822 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](OC)C1 1722731568 NVLQPKUVXJVPJZ-GOSISDBHSA-N 431.518 1.555 30 10 IDEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1740579702 NGMPNMLZGBASEN-UHFFFAOYSA-N 435.525 1.881 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC 1740629628 UMKMVFFKXXXYNA-UHFFFAOYSA-N 427.530 1.655 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(=O)(=O)CC 1740631953 NNPJVXRBSQUFRF-UHFFFAOYSA-N 425.558 1.760 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)NCC(F)F)CC1 1740692349 IMAMTAJETHLPMA-UHFFFAOYSA-N 439.470 1.630 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](OC)[C@@H](C)CC)CC1 1740704746 SZQSCVUVZXQJAY-LPHOPBHVSA-N 425.537 1.762 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740757104 MZUHWMYAOOHPSA-NUJGCVRESA-N 434.566 1.772 30 10 IDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740900727 XIRBWFXCJCWUQX-MAUKXSAKSA-N 433.534 1.694 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740953184 YATGJQTVBGUWCQ-GJZGRUSLSA-N 444.467 1.500 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1740957128 CABYHBIHWVQMAU-GOSISDBHSA-N 425.468 1.698 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCC(C)CC2)C1 1740957781 AOMPHROEPZSIQW-RTBURBONSA-N 443.596 1.480 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(F)F)CCOC1 1741733564 XIPVZLIIIDUDAK-KXBFYZLASA-N 429.468 1.719 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1743384492 ONKUHECGNGCRJW-OYHNWAKOSA-N 426.521 1.708 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748757827 MAVRYEPRWKGMHV-UHFFFAOYSA-N 435.536 1.054 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1748902838 LOXAZGQDJSPNLF-UHFFFAOYSA-N 435.463 1.612 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CC1 1749010215 ILRBSTBTSODHBN-UHFFFAOYSA-N 446.540 1.991 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C1CC1 1749067431 TVLAYVVLAOJRHL-MBOZVWFJSA-N 437.566 1.028 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1749103511 AGAUESZOXXFWJO-CYBMUJFWSA-N 448.387 1.898 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749269042 MBVROSBCCACFQI-HOTGVXAUSA-N 429.974 1.929 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 1749428148 ZUEQJKAPWHDSCZ-JYJNAYRXSA-N 429.612 1.907 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1749666934 ROTHWUMHVVDTIU-OAHLLOKOSA-N 437.504 1.109 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749730342 AKKPLVUROIMDRY-MRXNPFEDSA-N 444.565 1.397 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1 1752277594 DUGDJVDGFOWAFO-MRXNPFEDSA-N 435.492 1.077 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1760209996 LKNYXRAFSOTOMI-SJORKVTESA-N 429.550 1.125 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2nnc3n2CCC3)n1 1760252475 OGDUEVKTRPHFGS-UHFFFAOYSA-N 437.552 1.644 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2nnc(C)s2)CC1 1760257550 ZBKQEIGKABNZLK-NRFANRHFSA-N 445.593 1.478 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760285002 WXXPLZBJYZPBRQ-HXUWFJFHSA-N 431.587 1.645 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCC(N)=O)CC1 1760534149 ZJEQMVJIROHDTO-GOSISDBHSA-N 441.532 1.866 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1765589993 VHFISQJMDHLJMG-ZWKOTPCHSA-N 435.532 1.694 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1770217478 NWZVNZAXEZRGGA-MUGJNUQGSA-N 448.568 1.088 30 10 IDEE CS[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771390482 PQMNXHYNYNLREJ-CHWSQXEVSA-N 448.574 1.467 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1772891654 GUAHFGCFNYKFBT-CRAIPNDOSA-N 433.534 1.635 30 10 IDEE N#CC1CCN(C2CCN(C(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)CC2)CC1 1849607493 OVFNFGHYWMKETE-GOSISDBHSA-N 445.589 1.572 30 10 IDEE N#Cc1ccc(N2C[C@H](OC(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CO2)nc1 1851302673 FHIUCSNMCLIJRH-INIZCTEOSA-N 434.456 1.395 30 10 IDEE C=CCN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)[C@@H]1CCN(C)C1=O 1852560253 WXZYQZIEGVHQSJ-CJNGLKHVSA-N 427.910 1.112 30 10 IDEE COCC(=NOCC1OCCO1)NS(=O)(=O)c1cc(OC)ccc1Br 1853495577 UXOOGRXMZSCGJO-UHFFFAOYSA-N 439.284 1.085 30 10 IDEE C[C@H]1C(=O)N(C(=O)CS(=O)(=O)c2ccc(F)cc2)CCN1Cc1ccc(C#N)cc1 1855645043 YNLWCOXSXBEZAH-HNNXBMFYSA-N 429.473 1.731 30 10 IDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1857327189 QOOBRVMJXSBJDX-QVKFZJNVSA-N 434.899 1.897 30 10 IDEE CCN(CCO)C(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869928100 QIUORSTWSHVQON-LJQANCHMSA-N 440.525 1.659 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(N3CCOCC3)ncnc21 1873561517 NZFFLRQPSYANAC-UHFFFAOYSA-N 428.493 1.368 30 10 IDEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 1874341521 MDEGNJWNUGUJDE-YVJZOELXSA-N 449.533 1.692 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1985786343 KIQYKHNSXIITBC-CABCVRRESA-N 428.530 1.965 30 10 IDEE N#Cc1ccc(I)c([C@@H](O)C(=O)O)c1I 2060282352 IZUDFNUIJZZIPJ-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)CC1 2082042157 VOSPDGKFHKBFIY-OAHLLOKOSA-N 437.346 1.935 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2224094675 NKKMHWHLFNITQC-UHFFFAOYSA-N 432.374 1.767 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248478952 ADZZKKXGNMCWBT-NEPJUHHUSA-N 438.359 1.891 30 10 IDEE Cc1c(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823066 RNOFTHSJONFVMM-UONOGXRCSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255826566 QOLJPYZQAVIOPW-UHFFFAOYSA-N 432.330 1.792 30 10 IDEE CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2255875637 BIPQFRYXJGYMJY-KRWDZBQOSA-N 425.342 1.461 30 10 IDEE CC(C)(C)OC(=O)NCC1(Oc2cc(Br)cnc2C#N)CS(=O)(=O)C1 2256036900 DSHXHTSGTKYNBD-UHFFFAOYSA-N 432.296 1.786 30 10 IDEE Cc1nc(NC(=O)C2(F)CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2256617740 LRVRDHPAQIFRQK-UHFFFAOYSA-N 436.293 1.982 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256621769 YWAHUEAJLXSVHJ-RISCZKNCSA-N 439.293 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2256673674 FMWWBOMHVGTFEB-NRFANRHFSA-N 433.314 1.691 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130342 NFOYISAFCMPOMZ-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCCS(C)(=O)=O)cc2Cl)OC1(C)C 2267352010 AFEFVEJQMUQWGV-UHFFFAOYSA-N 429.778 1.024 30 10 IDEE C[C@@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267476669 BJBRTDQGVVBBKX-CQSZACIVSA-N 447.341 1.481 30 10 IDEE O=C(N[C@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 12174458 WJHCKBGRAPMEIX-UYEDEIATSA-N 428.681 1.666 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 15445518 LNILDEYJKCOJFF-UHFFFAOYSA-N 443.916 1.955 30 10 IDEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)c([N+](=O)[O-])cc1O 59820575 QYKOZKDSOPXJGV-UBKPWBPPSA-N 448.421 1.900 30 10 IDEE CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)[C@H](C)n2cnc(C#N)n2)CC1 409860308 GNHZRAUQFRHJEB-INIZCTEOSA-N 430.534 1.589 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C[C@H]1CCCO1 447266969 MTYIXJVWGCAUQN-CQSZACIVSA-N 443.475 1.967 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447788861 XBXMKPFWLQVNFD-UHFFFAOYSA-N 433.537 1.677 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCN1CCOCC1 478742842 FHNRJJDTCMGXJJ-UHFFFAOYSA-N 443.569 1.652 30 10 IDEE CCOC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 481496520 WZWTVZYGGJLSEL-LPHOPBHVSA-N 443.525 1.763 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 482203669 AVXBXLKBTAEHPD-BEFAXECRSA-N 426.498 1.537 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(C[C@@H]2CCCO2)c1=O 501992700 DAPKZLIWJQOCGU-KRWDZBQOSA-N 438.484 1.347 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 508930537 FIFIAPMTGQOMEU-DLBZAZTESA-N 425.555 1.050 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 523253399 FPAMSKAXWXTOJB-MRXNPFEDSA-N 443.544 1.499 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3cc(C)ccn3)c2CCC)CC1 544891395 UYDGYCRBBHMICR-UHFFFAOYSA-N 425.537 1.980 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 549248090 JYJVXOGRCSEDDF-HKUYNNGSSA-N 432.569 1.511 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1-c1ccccc1C#N 562467042 RYFDVHSRTNDPIP-UHFFFAOYSA-N 434.908 1.982 30 10 IDEE N#Cc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccc4nc(O)oc4c3)CC2)c1 586084506 HOCVGXIRCRJYJR-UHFFFAOYSA-N 426.454 1.988 30 10 IDEE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ncccc2C#N)CC1 619510193 ABKZTMAACGPPMG-OAQYLSRUSA-N 446.511 1.457 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669811433 SSTIAMRFYCJXPN-SFHVURJKSA-N 430.578 1.935 30 10 IDEE C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 677951984 BJSYRHIWMRFDOS-KRWDZBQOSA-N 446.529 1.551 30 10 IDEE CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(I)c1 694969087 ZNJIGYPZRCGUFY-UHFFFAOYSA-N 437.108 1.889 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 726948357 MGKOTFUEHHRWIA-UHFFFAOYSA-N 431.436 1.271 30 10 IDEE C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 727012163 HDMFHFZROLOFRC-HNNXBMFYSA-N 437.452 1.350 30 10 IDEE N#C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CCN1C1CC1 732651922 JXXQSDYFWPVLOA-SZPZYZBQSA-N 432.528 1.311 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2cc(Br)cs2)C1 749789053 KQVQYYOHSWVIAE-ZDUSSCGKSA-N 433.372 1.621 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 750383765 BECACHSZJAIKEV-QGZVFWFLSA-N 441.465 1.538 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CCN3CCOCC3)c2=O)c1 763436679 KHVAMMHTKHOYLM-UHFFFAOYSA-N 442.585 1.089 30 10 IDEE COC(=O)C1=C(COC(=O)[C@H](O)c2ccc(C#N)cc2)N(C)C(=O)N[C@H]1c1ccccc1 780204452 HYLUYJKFYTVQDA-VQTJNVASSA-N 435.436 1.958 30 10 IDEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)c1 782859235 GCTKVHMXZKOPRW-MRXNPFEDSA-N 444.565 1.027 30 10 IDEE C#CCN1CCN(C(=O)CN[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 795193927 WLXRNJWYFQOZMC-URXFXBBRSA-N 437.515 1.944 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)c3ccnc(C#N)c3)CC2)cc1 795970772 SMUDYATZHYCSES-INIZCTEOSA-N 442.497 1.340 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(CCF)C1=O 797813901 ONLPVORFRVWRLK-CQSZACIVSA-N 446.451 1.977 30 10 IDEE C#CCCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 810783033 BVUHOLMREPSJTD-UHFFFAOYSA-N 432.523 1.517 30 10 IDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812307281 CVIDKLOIANRFGU-QZTJIDSGSA-N 445.501 1.659 30 10 IDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 813984778 AMJGBWJUAHVWMS-INIZCTEOSA-N 430.461 1.379 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]2CCCO2)c1=O 918729543 LAUBWVFASZPKTK-INIZCTEOSA-N 442.585 1.948 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cccs3)n2)cc1 1084656363 DCSONXYPIRYCEJ-UHFFFAOYSA-N 437.532 1.690 30 10 IDEE CN1CCC(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)(N2CCOCC2)CC1 1129848157 QKDPOSZYYQDAFQ-UHFFFAOYSA-N 448.589 1.290 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1C(F)(F)F 1134649700 KYXNWCLBBKPBMW-JVXZTZIISA-N 441.229 1.212 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc(OC)c1OC 1136475726 PWDLCQCPRXSIBZ-INIZCTEOSA-N 447.513 1.989 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1151859602 HSLZSCGBUKFRCC-HNNXBMFYSA-N 441.513 1.067 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C[C@@H](O)CC1(C#N)CCOCC1 1194132132 FKOJQGFWBMITCP-IRXDYDNUSA-N 425.526 1.542 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3ccc4scnc4c3s2)CC1 1210174400 SRAVEMDHSYOWEL-UHFFFAOYSA-N 436.544 1.523 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)c1 1213948051 QMVRPLXUZMGTKB-OAQYLSRUSA-N 428.514 1.682 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)C2=O)cc1 1227632088 LDWRZOYVPQCPLJ-RTBURBONSA-N 430.530 1.268 30 10 IDEE CN1CCC(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)(N2CCOCC2)CC1 1251871331 UMCCXIWHNMLTGM-FQEVSTJZSA-N 441.580 1.336 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(=O)NCC2CC2)c1 1286311987 SSXZUCRLSADLPE-GOSISDBHSA-N 436.516 1.364 30 10 IDEE C#CCCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286319593 NTZUZQTVGIYRLF-HNNXBMFYSA-N 426.908 1.549 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1286376101 FMSRGOONTHUZMQ-IBGZPJMESA-N 443.573 1.780 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1286390682 DUXPZCUOEPXZJW-HNNXBMFYSA-N 439.607 1.169 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1286521664 BOQZMYCGJANJAO-GHTZIAJQSA-N 447.536 1.791 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1286645816 HGCCJZUTZDWNCN-LJQANCHMSA-N 438.532 1.940 30 10 IDEE C=CCCCn1c(CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286699428 CNZBJDLOCZINBZ-PMPSAXMXSA-N 439.582 1.933 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC[C@@H](C(F)F)N1CCOCC1 1286959496 GZKXZOJYZSMCKG-GJZGRUSLSA-N 427.500 1.368 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1287116586 VBOJLWBLAGZNLV-IBGZPJMESA-N 448.535 1.635 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc(C)s1 1293241774 GEHKZCYADQOWJP-INIZCTEOSA-N 438.517 1.652 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1296299064 GRYZGWXPXAZHNT-SJORKVTESA-N 444.488 1.626 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1300465094 KURWAGXDTXAZJF-QGZVFWFLSA-N 449.602 1.759 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1300487636 KMOUNDWOIQUKSL-GOSISDBHSA-N 425.518 1.172 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1300501336 JVBBGWOMUMKEPH-DLBZAZTESA-N 436.607 1.518 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1300531918 JMGPROQXBJUFDF-MSOLQXFVSA-N 438.557 1.437 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1300537955 MBXNIFDQGJMELZ-GOSISDBHSA-N 449.483 1.010 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2ccccc2)CC1 1300723088 PNMFXPIDYRLHML-XLIONFOSSA-N 434.544 1.999 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1300848322 DDTVMQMZLHQBSI-UONOGXRCSA-N 446.371 1.194 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)CC1 1300895005 KUXJOTJGACPWPL-BURNTYAHSA-N 449.596 1.752 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1301151976 TULBOGSHCLZNDC-DLBZAZTESA-N 441.598 1.686 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1301206609 HDGLOIDBHRLSOS-KRWDZBQOSA-N 433.534 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2)CC1 1301589154 OFRPXWVQRTVVGU-GOSISDBHSA-N 431.562 1.709 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1302458498 IBBMXWTVJNNPNS-ZZEZOPTASA-N 445.568 1.602 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)CC1 1302475014 HXTYIYACQSGPLX-UHFFFAOYSA-N 444.561 1.594 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1304236679 KAZZYTUOHVJNCE-ZBFHGGJFSA-N 433.582 1.907 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)CC1 1314642721 DQYRBAUYKMNPIB-IBGZPJMESA-N 437.548 1.454 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1315243869 SYVXWDNNDQKECG-FQEVSTJZSA-N 432.550 1.761 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1316285248 NPYHTIYHOBRGDG-MDKPJZGXSA-N 429.500 1.953 30 10 IDEE N#Cc1sccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1353503269 HTAAMMZFYKGCGM-LBPRGKRZSA-N 425.513 1.337 30 10 IDEE COC(=O)c1ccn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)n1 1358084975 UCVDKKOFLFFPGB-PTGBLXJZSA-N 447.517 1.901 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1358885418 JSPLNLDPILPIOF-HNNXBMFYSA-N 433.516 1.709 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1358913660 UUYCWBCAJXNLHF-IAGOWNOFSA-N 441.623 1.746 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)CCOC)CC1 1359036365 VBITUUQSFQETDO-OAQYLSRUSA-N 440.548 1.124 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1359107707 SSVSJFVOEMDXGX-INIZCTEOSA-N 444.565 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1359296017 UOHUGEWRWYDSRF-KRWDZBQOSA-N 437.508 1.084 30 10 IDEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N[C@@H]3CCCN(O)C3=O)c2)c1 1450275012 XODLVTJLVMNBEK-QGZVFWFLSA-N 429.429 1.772 30 10 IDEE Cn1cc(I)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 1456278056 VKJVGFSAYTZJKI-AWEZNQCLSA-N 435.269 1.875 30 10 IDEE C#C[C@H]1COCCN1CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 1460224772 YEIHYVWXQXTPMT-AMRJIULGSA-N 443.525 1.572 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2SCC(F)(F)F)CC1 1464991262 MRMGRLBJLJMHCJ-UHFFFAOYSA-N 436.481 1.958 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C3CC3)cc2C1=O 1470678097 WKUWHUFQLJYYOH-QZTJIDSGSA-N 431.514 1.591 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1507588296 INGWIDKHGOPTHI-INIZCTEOSA-N 434.591 1.372 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NCC 1507608751 RIAUQDYBAAEZLV-UHFFFAOYSA-N 431.566 1.470 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508145131 XTHDYFDRBDBAHD-IBGZPJMESA-N 446.577 1.217 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1cnc2c(Cl)cnn2c1 1508406401 LUAFKSHBDLHFKJ-ZDUSSCGKSA-N 429.916 1.951 30 10 IDEE CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1514441651 AYORRCJEUWVEQS-NRFANRHFSA-N 439.564 1.890 30 10 IDEE CN(C)CC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1517013003 QGVRJJZGJRMKHQ-IBGZPJMESA-N 438.580 1.963 30 10 IDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1531016189 DLSISKJWLFNGHV-ZWKOTPCHSA-N 445.501 1.297 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(Br)cc1C#N 1535115736 CTWJAKLFXSXYFL-AWEZNQCLSA-N 429.292 1.052 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1539124963 JGZRIAANKXQQHN-CABCVRRESA-N 449.499 1.803 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1539400960 NYAMCMWKIRLIHV-AUSIDOKSSA-N 442.564 1.864 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1539416370 MVUAUBKRGCTVKQ-ZDUSSCGKSA-N 440.513 1.562 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OC)CCCC2)CC1 1539476593 BZODUUNZXQVIRY-QGZVFWFLSA-N 428.537 1.154 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOC)CC1 1539481264 JOLKRULIJHOZEG-FQEVSTJZSA-N 439.516 1.793 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1540868403 DKJGQOXXZOJKEU-KRWDZBQOSA-N 436.524 1.162 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540870222 HTGMTCWEXKHEHN-MRXNPFEDSA-N 434.541 1.531 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1540870508 PDFNWIIXQXVOCB-QGZVFWFLSA-N 426.521 1.507 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOC(C)(C)C2)C1 1540895022 JUWOJNIFXDXKKA-GOSISDBHSA-N 432.569 1.293 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CCc1nccs1 1540902340 HMGKRRYVAILBST-HNNXBMFYSA-N 425.580 1.908 30 10 IDEE N#Cc1ccc(OCC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1Br 1544462265 AHKUISACQOQOFR-UHFFFAOYSA-N 434.294 1.601 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1544975474 RZVMHVGIORTCDF-CVTQAYBASA-N 439.545 1.732 30 10 IDEE CCc1nnc(N2CCN(CC(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546537062 FYWFISRJVCSACX-FOCLMDBBSA-N 427.431 1.051 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1557540459 VKAOHJQHFKXDKI-INIZCTEOSA-N 438.509 1.919 30 10 IDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(CCC#N)CC1 1557980619 HBSMZGIKMHGXQR-CQSZACIVSA-N 428.352 1.917 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1584437884 WJLKEHASWFSFGF-ZHRRBRCNSA-N 428.489 1.664 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cc1 1586932046 LOBZHTOIJXYPQO-WCIBSUBMSA-N 432.473 1.950 30 10 IDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1587501292 SUZXEAIXSRBPCS-PKOBYXMFSA-N 444.582 1.997 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)C1=O 1587658927 RTPPASBIKKLOKD-ZDUSSCGKSA-N 443.410 1.236 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1588035574 VKZJWMOTGVVYJI-DLBZAZTESA-N 425.555 1.374 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1588050413 MAQLERMDWCWDSI-HNNXBMFYSA-N 430.933 1.619 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1588233955 XACRKWJQEOOXBS-HXUWFJFHSA-N 445.483 1.407 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1588752732 UARJVYUOEKKTHE-IIMAJNMQSA-N 437.610 1.233 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1588975242 FWFJLSNSBZWDBM-KRWDZBQOSA-N 431.566 1.577 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589559408 QZLOPRHAVUMGEP-QUCCMNQESA-N 444.580 1.385 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 1595884762 RYICSOPMNJRSPI-OAGGEKHMSA-N 445.611 1.144 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCc2ccccc2C1 1596788576 ANHSULHLOBUSOM-IRXDYDNUSA-N 445.593 1.542 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCCO1 1612918341 ZDMBLFDIXMEPLV-MRXNPFEDSA-N 433.534 1.493 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)c1 1619354076 CAWRBNBGKVDDEW-QGZVFWFLSA-N 433.534 1.896 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1619520941 RLIMDAMQTKQWDB-AJKFJFBCSA-N 437.504 1.728 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619627348 JUKUUQQKNDHNQK-MJGOQNOKSA-N 439.495 1.890 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 1626461444 BBMAKLDRYDLIDI-QFIPXVFZSA-N 439.493 1.468 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)CCC2)C1 1633929685 LJQGHGSXVUXQAC-UHFFFAOYSA-N 441.532 1.754 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(S(=O)(=O)CCO)cc3)n[nH]2)c1C 1634845729 WSJWGGFIDNUOQX-UHFFFAOYSA-N 443.529 1.772 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 1636107609 KWBTWBUXYFYCJL-OAHLLOKOSA-N 444.550 1.262 30 10 IDEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1636389687 GMBJAPVIZPPUGD-MRXNPFEDSA-N 434.440 1.112 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1637864436 GAXBKFBHCLNRBU-SFHVURJKSA-N 442.541 1.831 30 10 IDEE C#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1637986058 JIFHCXBTZOBYDL-LBPRGKRZSA-N 435.365 1.412 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC 1639515567 UVJXBQWFAJDYDC-HOTGVXAUSA-N 441.525 1.143 30 10 IDEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1 1641505980 CJOILTXORURIQH-ZFWWWQNUSA-N 432.468 1.710 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)OCC 1643589343 IYRKXHFSJMKISX-ZFWWWQNUSA-N 433.933 1.842 30 10 IDEE C=C[C@H](C)ONC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1644295977 LDOQUZWIKMKHMJ-SMDDNHRTSA-N 433.324 1.605 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1644467431 WMFZGFRWWZPAHC-FQEVSTJZSA-N 448.589 1.290 30 10 IDEE C#CCN(CC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1)C(=O)OC(C)(C)C 1653799511 XZPUFRROWVXSJX-DYVFJYSZSA-N 438.468 1.825 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656343470 LEXJUBGWMQOFJD-LLGFUMIMSA-N 427.530 1.686 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CCOCC1 1664579741 GNHXXXFGCXLGEF-HNNXBMFYSA-N 440.465 1.234 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)=O)CC1 1668807861 LKYLPTILCRAEPS-UHFFFAOYSA-N 431.558 1.871 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3C)c2CCC)CC1 1668811186 BJKASNBSQGOUIE-UHFFFAOYSA-N 444.561 1.750 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCc3c(CC#N)cccc3C1)CCS2(=O)=O 1687799231 IHQCKEUHMHZNRD-DKTYTTGXSA-N 445.541 1.719 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1689873351 FLCOXUMHDNBLDY-UHFFFAOYSA-N 438.536 1.040 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1689874795 BNUJOSNLFTUDTB-DLBZAZTESA-N 433.582 1.494 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1689991125 WFGLVMAGOOLRJW-YJBOKZPZSA-N 433.509 1.381 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1690300627 GYPULFJNRLXWJF-VDGAXYAQSA-N 439.582 1.488 30 10 IDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690507374 KQSFDSQVEYSGNK-UHFFFAOYSA-N 444.580 1.689 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1690508510 KGINXBLWRZPTMX-INIZCTEOSA-N 441.554 1.051 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1690523526 DNVVEUVPUQUTFK-UHFFFAOYSA-N 437.548 1.925 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCn2nc(C)nc2C1 1690666256 XVIGWZOBZZLBIR-UHFFFAOYSA-N 438.492 1.185 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1690669259 ZKWGJIWJIGNKGC-IRXDYDNUSA-N 444.536 1.948 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690670076 YGVGPHJCWXVUHX-FXAWDEMLSA-N 443.596 1.227 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(OC)C1 1690671352 UKSSUNITWZZVHF-MRXNPFEDSA-N 448.568 1.920 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1690675079 OYZLEIVZPRZYEA-LJQANCHMSA-N 440.548 1.297 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C(C)(C)C)C1 1690684840 PNHGMDXXNWYRIK-INIZCTEOSA-N 441.536 1.869 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C#N)c1 1690714169 GSIGXGMXLXJCKX-UHFFFAOYSA-N 430.534 1.525 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1690723795 BEEZNEXXOTZFNY-YLJYHZDGSA-N 447.492 1.833 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1692672819 GULHQPZFEHREIT-QVKFZJNVSA-N 428.493 1.234 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)c1=O 1695790454 FVSDRHYBGCZTPQ-UHFFFAOYSA-N 438.513 1.281 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1698317964 SALAUTVKDHWEMK-UHFFFAOYSA-N 430.534 1.515 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705522444 FREVYNMPJBEAIN-ZCNNSNEGSA-N 445.564 1.633 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(N(C)C)nc1 1705549714 FTGBELYDXWHOOB-UHFFFAOYSA-N 428.500 1.771 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1705628293 CDJDFDYPNOEDFG-CQSZACIVSA-N 434.547 1.024 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1705661539 DQCRAAMCRVKBHX-WOJBJXKFSA-N 432.638 1.753 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705897625 QATUSNOFZABERY-MOPGFXCFSA-N 437.548 1.678 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccc(C#N)o1 1706588994 DEIOYJOCPWRAAB-UHFFFAOYSA-N 429.525 1.476 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1722293494 CPYKGBCTGUUXTD-CRAIPNDOSA-N 429.546 1.240 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722306336 IYPDIYJPYTVCRR-SFHVURJKSA-N 448.593 1.322 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1722382649 JEKLVMLBSRUJAJ-KRWDZBQOSA-N 428.537 1.602 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(CCOC)CC2)CC1 1722431097 LXISHORRETZINO-HSZRJFAPSA-N 431.581 1.891 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CC(F)(F)CO2)CC1 1722447106 FAIXAODSZFZHLD-IAGOWNOFSA-N 437.491 1.910 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)C(C)C)CC1 1722452484 HCBVAGJTPKQBLP-PMACEKPBSA-N 446.596 1.308 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCCCC3)CC1 1722574302 JWQMXQCWZMIXSY-HNNXBMFYSA-N 448.597 1.657 30 10 IDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722628488 XJIBAUUJRLKITL-UHFFFAOYSA-N 425.537 1.959 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1722698264 XFGQIGPZDJOQCF-UHFFFAOYSA-N 442.524 1.531 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1722699564 WBRDQGRXICYLJS-DLBZAZTESA-N 447.536 1.615 30 10 IDEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1722763838 GTFQLGCPCAIXOC-ROUUACIJSA-N 434.566 1.179 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)F 1722987009 JFZVZOGDOKNQGH-CHWSQXEVSA-N 446.430 1.878 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1723042055 JBNCNACBTCUPCS-NRFANRHFSA-N 426.477 1.531 30 10 IDEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1729885661 DVCQTRFTPCSRPW-RYQLBKOJSA-N 449.508 1.436 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 1740573986 ILZRLHDZEZINKQ-IBGZPJMESA-N 447.561 1.757 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740605025 LNMRKYLXGKMQPE-ROUUACIJSA-N 435.536 1.490 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)NCCC)CC1 1740705631 JYAUBCZPARACMF-SFHVURJKSA-N 430.553 1.402 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1740717547 VOUNXPOWMRDQTQ-MSOLQXFVSA-N 437.635 1.611 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(=O)NCC)cc2)C1 1740970156 FUALKRWEOBZIRZ-LJQANCHMSA-N 440.548 1.996 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@@H]2C)C1 1740972049 CDQAWDDIZMZZEN-YIOZNXECSA-N 427.571 1.221 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1748815499 QUBYNRTUVSRANA-LSDHHAIUSA-N 436.563 1.355 30 10 IDEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1749384694 GAWAISXMNBPNOK-LJQANCHMSA-N 443.573 1.995 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749664390 MENIYAXOJSPPOH-UHFFFAOYSA-N 446.577 1.416 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1749731845 MFGAJACYYCOFHB-PMPSAXMXSA-N 441.623 1.940 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1750517725 AHIFITPTSPNYHB-UHFFFAOYSA-N 435.575 1.599 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1751094343 IDKJMBZOJOKGLE-SJORKVTESA-N 432.550 1.889 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760102237 GMLSBDBNWPPZNW-ORAYPTAESA-N 440.472 1.554 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1760191733 MMFLBRFGKHUKOH-QGZVFWFLSA-N 436.607 1.520 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCC1 1760242592 IVKLULLCPIMDBN-UHFFFAOYSA-N 431.924 1.863 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760281008 WNFZRQWHSWQBJW-KRWDZBQOSA-N 448.618 1.781 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760566275 QBRJYNDAVWDHFW-QGZVFWFLSA-N 436.582 1.275 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1761361127 AZGKCYUTGONVSJ-BFUOFWGJSA-N 439.488 1.435 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1766694458 GNEDQJAPPRSGOH-SFHVURJKSA-N 429.546 1.912 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1767438491 GJALRULECPHHPP-IEBWSBKVSA-N 441.529 1.339 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C[C@@H]1C 1767945049 GYUJCSBGKICMLE-ZDUSSCGKSA-N 447.446 1.475 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)OC 1770217515 UFVOVNSBZBMHFV-KPFFTGBYSA-N 441.536 1.630 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)C(=O)NC 1772660019 HPJRWMMBPPWPDF-CYBMUJFWSA-N 440.957 1.413 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1848935636 JSELVQOAHXPFDZ-IBGZPJMESA-N 443.529 1.665 30 10 IDEE COc1ccccc1N1C[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1851516771 DKZNYEOWSQKDPL-LJQANCHMSA-N 449.511 1.680 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2n[nH]cc2Br)cc1 1852509966 HDHWLQORONYMHN-OAHLLOKOSA-N 435.278 1.980 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)NCc3ccnc(C#N)c3)CC2=O)CC1 1852528476 PCJOSHQSIOXWGF-MRXNPFEDSA-N 427.505 1.817 30 10 IDEE COc1cccc(C#CCNC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c1 1853261292 BDUUIVGRFGZDRK-QFIPXVFZSA-N 426.538 1.505 30 10 IDEE Cn1ccnc(N2CCC[C@@H](N(Cc3cn(Cc4ccccc4)nn3)C(=O)CC#N)C2)c1=O 1853464445 ZUKAMCLOUBBEJK-HXUWFJFHSA-N 446.515 1.331 30 10 IDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)CCC(F)(F)F 1854790032 UJRJHSOBXADZNO-CYBMUJFWSA-N 431.436 1.832 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@H]2CCCO2)C(=O)C12CCCC2 1856258054 QKJQITRXOCPNGX-QGZVFWFLSA-N 431.514 1.800 30 10 IDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CCCO2)cc1 1870157089 MNDDPQHMJPUDJM-GOSISDBHSA-N 425.493 1.328 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)CC)cn1CCN1CCOCC1 1870525738 OYVNXLNRTJUOHR-FQEVSTJZSA-N 446.592 1.648 30 10 IDEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870630132 JPTDPCQTKIMMRO-UHFFFAOYSA-N 434.537 1.556 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCOCC)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871506033 HHZFRKKUDZGUMN-UHFFFAOYSA-N 447.565 1.701 30 10 IDEE O=C(NCC#CCN1CCOCC1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 1891343635 QKHKODINQQEYJC-UHFFFAOYSA-N 439.537 1.503 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2255653865 OYUXJOMQQUIZDS-UONOGXRCSA-N 434.346 1.895 30 10 IDEE C[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255698560 JEBWVJMEEYGTMW-CYBMUJFWSA-N 432.330 1.761 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255866966 WYDLBYMSDLUWAT-UHFFFAOYSA-N 432.330 1.857 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267138427 XJRBOEOMQKJLNL-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO[C@H]1C2 2267143177 DTPYHYLQIBNJPC-RXSFTSLZSA-N 448.329 1.263 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188688 PNGCGAFSSLYBNQ-DGCLKSJQSA-N 444.263 1.391 30 10 IDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC3(CC2)OCCO3)OC1(C)C 2267466877 IMYTYDRDBAQSGE-UHFFFAOYSA-N 429.369 1.716 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2267494029 BHQATKBVPRDNOH-IIAWOOMASA-N 446.357 1.705 30 10 IDEE Cc1nn(C)c(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267519930 KTHHDIAATZGDMT-UHFFFAOYSA-N 440.353 1.758 30 10 IDEE CO[C@@H]1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1NC(=O)OC(C)(C)C 2267589165 WMBSKCSTLBGWMX-DLBZAZTESA-N 447.341 1.745 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 2267606512 YRTDIYBFSRFXIZ-UONOGXRCSA-N 449.361 1.680 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCC1CN(C(=O)OC(C)(C)C)C1 2315539382 WDPNAAKDDQDGFN-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2334263144 NDUGJGDACBIEEZ-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2334531042 QFQVIJGAXGXAIE-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE C=CCNC(=O)CN1CCN([C@@H](C)c2nc3sc(C(=O)OCC)c(C)c3c(=O)[nH]2)CC1 27559487 SNSYRFWUFULZFT-AWEZNQCLSA-N 447.561 1.451 30 10 IDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 27902169 RWEFAQRJLUUQDK-SFHVURJKSA-N 429.565 1.415 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 433357629 YDMORSOBHOUBLL-ZJUUUORDSA-N 432.296 1.055 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 434840513 JFYUEYMTDHWGHZ-KRWDZBQOSA-N 445.570 1.455 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447776364 BMCZDUHGSWVAKE-UHFFFAOYSA-N 447.564 1.877 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 460883553 VSSSFDPHKHLBIW-HNNXBMFYSA-N 445.545 1.645 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 465284997 MJZMOEKDAINXJV-GOSISDBHSA-N 443.511 1.979 30 10 IDEE Cc1ccc(C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1S(=O)(=O)NCC#N 481519133 KKUGMTKGWKSHQI-LJQANCHMSA-N 429.498 1.717 30 10 IDEE COCCN(C)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 483154062 MHALVZIQWSFTTQ-UHFFFAOYSA-N 429.546 1.542 30 10 IDEE COC(=O)CCNC(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 515237372 PLGHKPSWSRICHJ-UHFFFAOYSA-N 436.472 1.600 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](c3ccnc(N)n3)C2)CC1 518400829 GXBXAPDSAXIELP-GHTZIAJQSA-N 437.523 1.786 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCOC1 533086292 PIPCWJFWLQVBBW-MRXNPFEDSA-N 436.533 1.753 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)n1 542076359 UCASCUUHYPNPBY-FQEVSTJZSA-N 426.864 1.465 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)CC2)n1 544831567 HHHVVCVZMNOMCF-GOSISDBHSA-N 433.468 1.635 30 10 IDEE N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(Cl)c1 549348672 LWRANRAMCBFFRH-OAHLLOKOSA-N 426.860 1.946 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 549675218 FKTDWOTVXDKYDN-GOSISDBHSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ncccc3C)n2C[C@@H]2CCCCO2)CC1 555486510 LKURIZRDNBIJDJ-IBGZPJMESA-N 439.564 1.642 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCO2)CC1 572545580 WVPQPRVTWAWIAE-GOSISDBHSA-N 425.537 1.252 30 10 IDEE N#Cc1cccc(Cn2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2=O)c1 586561410 XNDQMIXCJPXPGE-UHFFFAOYSA-N 436.493 1.388 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2nn(CC)c(=O)cc2C1 669815793 TZDIKNAZJUYYFV-UHFFFAOYSA-N 440.529 1.674 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)CC1 728532344 VULWINCAXBIMPF-VSKRKVRLSA-N 436.556 1.354 30 10 IDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729335993 YWYJLIBVBJPYAO-QZTJIDSGSA-N 438.571 1.045 30 10 IDEE CCCC(=O)NCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 729889238 RBWFXJYQSAKKFC-QGZVFWFLSA-N 434.518 1.425 30 10 IDEE CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730141025 LXWSWIMPFOQOEQ-MRXNPFEDSA-N 437.541 1.350 30 10 IDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(c2ccccc2)C1=O 732117744 WJMKVCNHQFGXHU-SFHVURJKSA-N 440.525 1.769 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707022 STJXDPYJKMDDDO-KRWDZBQOSA-N 447.561 1.161 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 742500308 GOYWFQCFSFNJBG-LJQANCHMSA-N 430.549 1.741 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 744007159 ZWHDYHCRMVBEGU-LBPRGKRZSA-N 449.510 1.211 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 747737812 KBAKYAFRQRDAPW-FQEVSTJZSA-N 433.574 1.676 30 10 IDEE C[C@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)NS(=O)(=O)c1cccnc1Cl 761036254 FODMHVFTEKABRQ-CQSZACIVSA-N 448.936 1.407 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)C1(C#N)CCOCC1 767405138 HMCKAIFUVQCYAN-ZDUSSCGKSA-N 439.490 1.136 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)CN1CCCCC1 771647728 CGIUPPBJJIMKCH-AEFFLSMTSA-N 436.578 1.103 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)ccc1F 777312402 BGLCLUMFPOSQCY-IRXDYDNUSA-N 427.567 1.942 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(OC)c1 778075012 SIRHHAMROOUYKP-TZMCWYRMSA-N 441.506 1.750 30 10 IDEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 781000894 KLCYRVAJTBIJCA-HNNXBMFYSA-N 429.498 1.706 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(-c3cccc(NC(C)=O)c3)c2=O)c(C)n1 781658697 TZPCDIPVGNPVLL-UHFFFAOYSA-N 445.504 1.905 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC[C@@H]2CCOC2)C1=O 784125167 NAHGGTXMMOUSFJ-APWZRJJASA-N 443.573 1.984 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)n1 789173726 BCRHWRORTLXWKY-QFIPXVFZSA-N 425.533 1.441 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 812180084 ZDOGGQNFAKBBIE-MRXNPFEDSA-N 449.556 1.624 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2C[C@@H]2CCOC2)CC1 812426970 PAHYKDOTFZOQCM-LAUBAEHRSA-N 435.528 1.957 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc2c1=O 916676023 SHBRCHHBFSFYFE-UHFFFAOYSA-N 430.511 1.449 30 10 IDEE COc1cccc(C[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)n2nnnc2C)c1 916775995 LYVSRMHLIPRCHO-IBGZPJMESA-N 440.485 1.292 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1116542228 PXFPZGWGMTYKCN-FQEVSTJZSA-N 433.574 1.285 30 10 IDEE CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CCN(C(=O)CC#N)CC3)cc(C3CC3)nc21 1149999446 BYRFYVPVIWCTRV-UHFFFAOYSA-N 438.488 1.229 30 10 IDEE Cn1cc(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c2cccnc21 1152094610 JSMLXECNLOJLBW-UHFFFAOYSA-N 425.514 1.751 30 10 IDEE C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156669773 HTDZVZINRZTBMX-VBHSOAQHSA-N 425.507 1.283 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC23CN(C(=O)OC(C)(C)C)C3)cc1 1159741838 UBDQSRLSFPHUMM-UHFFFAOYSA-N 435.502 1.018 30 10 IDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1165489187 JHHJUYYMMDLDSO-LJQANCHMSA-N 425.489 1.324 30 10 IDEE NC(=O)[C@@H]1CN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@@H]1C(N)=O 1168320190 XLUBJSFTUVYGCX-AOOOYVTPSA-N 429.292 1.635 30 10 IDEE COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1171306001 FAVXJHVPQUVSRZ-IBGZPJMESA-N 437.500 1.658 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(Cc4c(C#N)cccc4[N+](=O)[O-])CC3)C2=O)n(C)n1 1193308818 INFTWTBFODNFCY-FQEVSTJZSA-N 437.504 1.822 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](c3cc(O)nc(O)n3)C2)CC1 1195693808 ALQUUDVVFRIDHJ-GDBMZVCRSA-N 428.518 1.148 30 10 IDEE C=CCn1cc(CNC(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)nn1 1221901348 MMHMYZVMMRDSEK-UHFFFAOYSA-N 428.493 1.585 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Br)ccc2Cl)CC1 1251103324 KGAUJSNCYUOZDO-UHFFFAOYSA-N 449.758 1.397 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1251951991 WLBUYFXLIQSJSQ-ZTENYAIWSA-N 426.539 1.260 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1253778973 HESFQKVWJWDWSA-HOTGVXAUSA-N 431.555 1.138 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286312781 ZXXXSJNIRFIQKV-UHFFFAOYSA-N 436.516 1.952 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1286377623 ZRTZWOXZTIRVGE-INIZCTEOSA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1286410244 XTRXXDMUIWFSQZ-UHFFFAOYSA-N 440.511 1.724 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CC=CCO2)CC1 1286488862 WIFASROZVLNMPA-MJGOQNOKSA-N 431.537 1.313 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286511449 LFGKBTXNFUPKOF-QFIPXVFZSA-N 436.541 1.812 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286592976 FNPOKDAKIRTBGL-SFTDATJTSA-N 432.613 1.979 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1286614849 CVWRBZYKXQTWFA-HOTGVXAUSA-N 432.550 1.269 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1286784895 XMWCOWBFMXVXQV-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](F)COC)C1 1286807472 CBHLRFOMFKZSAW-HZPDHXFCSA-N 442.495 1.958 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(c2nc(C)no2)CC1 1286818867 QSMVQGYZNSIZNT-UHFFFAOYSA-N 445.549 1.960 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCS(C)(=O)=O)o1 1289597979 IBRDTYOVDVENRX-QGZVFWFLSA-N 448.549 1.084 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@H]1COc2ccccc2O1 1300381874 WQKHJTBFDBDFHN-SJORKVTESA-N 447.561 1.968 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1300411755 WSPYEBVOIPSWFM-IBGZPJMESA-N 447.536 1.726 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(CC)S(C)(=O)=O 1300456030 SQUCFOZEFJIVGZ-UHFFFAOYSA-N 443.533 1.335 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N(C)C)CC1 1300716529 NPNBITCKFJRIPH-UHFFFAOYSA-N 438.532 1.398 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2COCCO2)CC1 1300726548 NTSIMDUQNUTWIJ-NRFANRHFSA-N 437.544 1.559 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1301447508 ATNQVMXDMXNHEI-NYHFZMIOSA-N 439.520 1.718 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cnccn2)CC1 1301489846 DZJSDQSCMVHDKZ-UHFFFAOYSA-N 432.532 1.926 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1301497602 YQLFEENLNUPCMT-UHFFFAOYSA-N 446.515 1.390 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2n[nH]c(C)n2)C1 1301543406 LGLPMTSWUIEGDI-LAUBAEHRSA-N 431.541 1.769 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCN(C(C)=O)CC2)C1 1301553110 DXGGLBHZCMGISL-LJQANCHMSA-N 427.553 1.229 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NC)CC1 1301587867 AMMDYJVMOJFHSZ-INIZCTEOSA-N 425.555 1.083 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301596677 VRLSEWTVDNDAJO-LJQANCHMSA-N 439.607 1.448 30 10 IDEE CC(C)OCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303555495 QEPXKQYLAHKZGQ-UHFFFAOYSA-N 439.520 1.751 30 10 IDEE Cc1cc(C)n(CCCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1304773558 RXQYITHBZMYUHA-SIKLNZKXSA-N 443.552 1.951 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCN1CCC[C@@H]1CO 1304856601 OVRSNAGEOJSCGN-PKOBYXMFSA-N 439.568 1.200 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1C#N 1351250931 CQAJMHMDIWEBAN-UHFFFAOYSA-N 430.442 1.622 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(Br)cc1-n1cncn1 1351735029 DWYKFMWWTXJUCS-UHFFFAOYSA-N 443.265 1.713 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCS(=O)(=O)N1CCSCC1 1352970182 XCCHSVGJFKNUJK-HNNXBMFYSA-N 448.611 1.458 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1358872031 NQZWMZAEPPAPHV-LSDHHAIUSA-N 445.524 1.719 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Cc1cccs1 1358948768 LADNGXWHZQECDC-RDJZCZTQSA-N 437.591 1.621 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358958323 LOPAQTNVEHJFJF-MAUKXSAKSA-N 431.562 1.956 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1358959457 JFIUTNBUPIPWFA-SFHVURJKSA-N 429.546 1.440 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1359057188 UVTIPYVRYUXUSQ-KRWDZBQOSA-N 438.619 1.944 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359126393 OAMQPJRVYUDBEU-HNNXBMFYSA-N 434.522 1.141 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359134585 AJMHWQUHUNXTBK-KRWDZBQOSA-N 431.566 1.783 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)C(F)(F)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1359306087 VPTYJAWGONFWNO-KHYOSLBOSA-N 427.496 1.960 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2CCCCO2)C1 1359313094 GNMQOUDLYRPCAS-BRWVUGGUSA-N 427.571 1.629 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c1 1434896365 UOGCFDUPNGPAFB-XZOQPEGZSA-N 449.555 1.329 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1452487607 OHBLEZBHLPAVMH-UZLBHIALSA-N 442.541 1.568 30 10 IDEE CCOC(=O)C1(C(F)(F)F)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1456561355 VTCVZVGOXQIOFS-UHFFFAOYSA-N 447.435 1.571 30 10 IDEE N#Cc1cn(CC(=O)Nc2ccccc2SCC(N)=O)nc1I 1459141602 FXCDBVBROZWVPC-UHFFFAOYSA-N 441.254 1.575 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 1460634371 DZROUYRQKKBVRN-UHFFFAOYSA-N 427.524 1.680 30 10 IDEE CC(=O)c1cccc(OCc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)no2)c1 1462999182 QHKVYETZSLQLTO-YWZLYKJASA-N 429.454 1.467 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)CC1 1467784352 WNNVUOMZMFVMOD-MRXNPFEDSA-N 438.550 1.340 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 1468404587 SODVHNCNVZVGGO-HNNXBMFYSA-N 448.524 1.176 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1ccc(OC)c(C#N)c1)CCS2(=O)=O 1471190955 ICBGQHIYVPFBHQ-LFDOHDQPSA-N 435.502 1.265 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1494131676 ZQIQKWGAPHCFJK-SFHVURJKSA-N 435.532 1.658 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)Nc2ccccc2)CCOC1 1502728105 GFHKBKYSXHCHNA-PGRDOPGGSA-N 440.504 1.688 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)CC1 1505320797 VMDFQCILXJBHGA-KRWDZBQOSA-N 429.550 1.817 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507632125 XFFNCZNVLUVZCX-ZWKOTPCHSA-N 429.546 1.782 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1Cl 1507654152 WPONUXGYZZPMEP-MRXNPFEDSA-N 432.933 1.985 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507781751 HWTZUYDRFWDMOG-KDOFPFPSSA-N 439.358 1.439 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2nccc(OC)n2)CC1 1507808794 HUEBTAIVCJCHOE-XLIONFOSSA-N 443.552 1.921 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1507836946 FBTSHCKGANESMT-INIZCTEOSA-N 427.571 1.488 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1508058221 UOWQGJGHVYFFQF-KRWDZBQOSA-N 433.534 1.724 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1508071747 DIZBHZRFQXVSFU-ZDUSSCGKSA-N 447.337 1.677 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1 1508080409 NZKUMORNFGJUJQ-INIZCTEOSA-N 434.504 1.135 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508148062 FPDWPECSKYUXLD-RBUKOAKNSA-N 441.529 1.361 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1508312103 AOHGXYKWIONDCC-LJQANCHMSA-N 449.519 1.096 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1509712173 FWOLRIZIASXMOX-RBUKOAKNSA-N 435.532 1.979 30 10 IDEE Cc1ccccc1OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1511344784 LTNWONXSLVKUPN-DLBZAZTESA-N 448.549 1.395 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1cccs1 1513923150 GEQOHSINRUFJDM-UHFFFAOYSA-N 436.545 1.925 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCOCC1 1521422485 BGFLDWZSAOILFJ-ZPHPHTNESA-N 428.880 1.962 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1534678253 MUNMPBIJZWZUFV-HXUWFJFHSA-N 433.516 1.563 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNS(=O)(=O)c3cccnc3)CC2=O)cc1Cl 1537374056 GLBYVLVHPFIMDN-AWEZNQCLSA-N 447.904 1.054 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1539215980 MIVXOXXWOZTLBW-QGZVFWFLSA-N 446.483 1.632 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539219431 JUBKOWGNYDMXIZ-IBGZPJMESA-N 443.573 1.330 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCS(=O)(=O)CC 1539363464 PECOKMUAFZVBLK-UHFFFAOYSA-N 438.579 1.132 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSc2ccccc21 1539395866 JUCVZVMETIXYKN-CVEARBPZSA-N 449.602 1.864 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1COCCO1 1539400570 HODCFNVZNKIYGK-OAHLLOKOSA-N 438.326 1.927 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)cc2)CC1 1539477259 KTELDWYJLGKCAT-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1539714631 QYMDIDMYQYCRLX-UHFFFAOYSA-N 446.577 1.700 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540870028 DEICNDJPDUZBOD-GOSISDBHSA-N 436.520 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccco2)C1 1540902136 BJBUPYRZIOLREH-AEFFLSMTSA-N 436.534 1.944 30 10 IDEE COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1542949106 REBIUSIJDJCXRU-QGZVFWFLSA-N 446.935 1.956 30 10 IDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1543264234 KBAMRSCLYGRECR-PZJWPPBQSA-N 429.546 1.467 30 10 IDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1545120835 CLDJCFMNEZRPEH-GOSISDBHSA-N 426.521 1.676 30 10 IDEE CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1)OC 1545992330 HQINIDLRWBRGLX-JTDSTZFVSA-N 440.570 1.166 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CC1CCS(=O)(=O)CC1 1555557957 HVAZURXSCYKCCI-KRWDZBQOSA-N 425.555 1.711 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccc(C)c1 1555671020 XHXJCUPYOMPHIJ-PKOBYXMFSA-N 442.520 1.469 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC(=O)c1ccc(F)c2ccccc12)c1cc[nH]n1 1558037343 CYJXTOYQKWDYJM-UHFFFAOYSA-N 426.404 1.985 30 10 IDEE C#CCN(C(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC)[C@H]1CCS(=O)(=O)C1 1562784533 MKFPBFBHMBZBTA-ZDUSSCGKSA-N 427.910 1.705 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1565340084 YGHUBVUHYYCPBT-IHSNIMORSA-N 440.566 1.459 30 10 IDEE C=C(C)CONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1583435452 WLHWXFDEMNUVCE-UHFFFAOYSA-N 429.926 1.577 30 10 IDEE COc1ccc(I)c(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1583798905 ZTBUPUMSRXLOKS-UHFFFAOYSA-N 440.197 1.463 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCCN1CCN(c2ncccn2)CC1 1585418223 RSTDMLFIANILDO-LJQANCHMSA-N 444.580 1.802 30 10 IDEE C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@@H](C)COC 1587213790 DCGIFSAPBWAGAJ-HNNXBMFYSA-N 441.525 1.342 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588044988 FAMIEKZNBQMTAJ-SFHVURJKSA-N 430.578 1.395 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1588139141 MLAOJXRIZRCLDF-MSOLQXFVSA-N 442.541 1.729 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1588185061 ABMPZSLZYRYYFE-FGZHOGPDSA-N 431.606 1.830 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC2(C)C)n1 1588724293 WWPSVBNUEXNZEC-WMZOPIPTSA-N 425.537 1.758 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1588806244 KVDQZLZUAMUDAG-GCJKJVERSA-N 442.951 1.546 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1593747088 QREOEUKPGJDZLT-LJQANCHMSA-N 432.569 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(F)ccc2C1 1595785321 WYULOLZFIOXOAK-UHFFFAOYSA-N 430.509 1.981 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)cc2)nc1 1611493946 GFHMXBGZUSHFGE-UHFFFAOYSA-N 443.463 1.908 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)cc1OC 1615006179 GVDSRVLTBFTKNH-INIZCTEOSA-N 428.493 1.559 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1615101131 SYXDYVLQWAFOAS-GOSISDBHSA-N 438.536 1.244 30 10 IDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1=O 1615828250 SUWBWNYMMJBWSW-UHFFFAOYSA-N 428.562 1.991 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1619422642 BEXIQKDZBRXGOB-MRXNPFEDSA-N 431.518 1.183 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)c(OC)c1OC 1621875808 ARWMQFYBXPQSLD-UHFFFAOYSA-N 439.534 1.740 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1626182822 JVASSOGUWGFMII-CVEARBPZSA-N 430.571 1.894 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cc(F)c(C#N)c(F)c3)ncnc1-2 1627342790 BDCQJYMUNSLFAP-UHFFFAOYSA-N 436.220 1.491 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCc3c(OCC(N)=O)cccc32)s1 1628054286 BPDPDNJDLOGRPR-UHFFFAOYSA-N 449.554 1.598 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 1629869703 CLLTZIHBXKPRNO-ROUUACIJSA-N 435.546 1.904 30 10 IDEE COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1634283541 ZXLWRNAFXORFAA-SFHVURJKSA-N 441.465 1.483 30 10 IDEE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(N)=O 1634601106 JZPSALQRLFKJFS-NHCUHLMSSA-N 437.496 1.822 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1643022949 BWMOKYPBLMJPOC-IRXDYDNUSA-N 439.534 1.251 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cnccc4C#N)C3)[C@@H]2C1 1644245614 XYRXEXWXUDEOIB-OIISXLGYSA-N 427.461 1.608 30 10 IDEE CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCC[C@@H]1C#N 1654477659 IJGTZXOHMTUVIC-RHSMWYFYSA-N 440.953 1.923 30 10 IDEE COCCNC(=O)c1c(NC(=O)Cn2cc(C)cc(C#N)c2=O)sc2c1CCCC2 1656641633 SYXPXTOZRYVESH-UHFFFAOYSA-N 428.514 1.984 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)CC1 1661608615 HNAGNSFVQVUJPY-UHFFFAOYSA-N 429.445 1.346 30 10 IDEE C#CCN(C(=O)NCCNC(=O)c1cccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 1665737066 KSMZRXRLXJXKCC-UHFFFAOYSA-N 429.521 1.856 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1Br 1666710159 AGMCOUDTBNURCU-AWEZNQCLSA-N 426.267 1.835 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1670591001 RWHUDECZRSIXSG-MRXNPFEDSA-N 442.582 1.312 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)Nc3ccnc(C#N)c3)cc2)CC1 1672164082 HKHWSFRKQXILCY-UHFFFAOYSA-N 436.516 1.860 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)C2)nc1 1683545246 SQRCTQNTFCTORA-SFHVURJKSA-N 434.456 1.368 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 1689893101 UIEKAKITSWSOAB-QGZVFWFLSA-N 446.552 1.844 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689985965 GBLRBQOPHVKSRQ-QGZVFWFLSA-N 441.561 1.309 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689991771 CEDVYMLNDPXXCR-GCJKJVERSA-N 446.548 1.796 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(-n2cncn2)nc1 1690022685 OMPYHTPGOVKJIJ-UHFFFAOYSA-N 429.513 1.731 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1 1690087316 SGMTVKYBXUDMEN-JOCHJYFZSA-N 427.480 1.444 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690330188 CRJYGGOBNKGCNT-ZIAGYGMSSA-N 438.920 1.287 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690465396 ZHDFKIOBXZAUCS-LPHOPBHVSA-N 442.607 1.552 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1690533354 GBXLQIGQHZMXJS-QZQOTICOSA-N 433.472 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1690725618 WRUWTTIIGBDKMO-KDURUIRLSA-N 438.642 1.436 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690993101 FCGQLWGYZSHECR-YLJYHZDGSA-N 439.564 1.627 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCCC(=O)N(C)C 1693745560 FZWUYZJVAZNVAK-MRXNPFEDSA-N 448.535 1.518 30 10 IDEE CCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1695205942 HVAOLNBPNUKMDB-NRFANRHFSA-N 439.564 1.890 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1698489458 QWIHYNPIPOQSCH-HXUWFJFHSA-N 429.502 1.045 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1705563075 QLAMXYHVOLMVDS-JXFKEZNVSA-N 434.518 1.279 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1705570720 SZTYBVSTTFCLHD-MRXNPFEDSA-N 439.488 1.520 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705587596 BFAXMCDIBLAIDQ-MXBUBSDBSA-N 428.533 1.803 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1705612171 BCPGBNZJSBEPQL-QGZVFWFLSA-N 443.577 1.346 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)C 1705674530 KYPJQCUEAJRSFH-QFBILLFUSA-N 425.555 1.028 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705899558 XKLDWPYNMROKEB-HSZRJFAPSA-N 446.515 1.604 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(C)c1C 1705934865 ZFERPCDAEHLHRY-UHFFFAOYSA-N 429.550 1.928 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1706057360 GUZYSVUJPWBZBJ-MRXNPFEDSA-N 433.310 1.963 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1706159032 BWISXVLQPKZDFG-GVDBMIGSSA-N 432.525 1.910 30 10 IDEE Cc1csc([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)n1 1707717001 COQSOQXFYGCHOR-BNOWGMLFSA-N 439.567 1.186 30 10 IDEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CC(=O)NC(C)C)C2 1707842068 BIPZJIXVMLQLGK-UHFFFAOYSA-N 435.492 1.174 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1708617345 CUAOWVQYPWWYJP-LZQZEXGQSA-N 426.521 1.972 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(=O)(=O)CC)CCO1 1709329815 UIRSOJAWHCJBLC-GOSISDBHSA-N 432.550 1.761 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1712648666 ZNPMNUFEFBCCCM-RDGPPVDQSA-N 435.525 1.317 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1712841016 ZQKPWDGGVYLQAK-IPWSYGNPSA-N 425.468 1.585 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1722278470 QHTDQGVZPPHDKG-HNNXBMFYSA-N 427.534 1.732 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1722281360 YGDIHVWJASPJPK-GJZGRUSLSA-N 433.534 1.556 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1722355956 QMMBHJDSWSECMJ-UHFFFAOYSA-N 430.940 1.744 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722361931 KRBKWKQZRJJITB-IBGZPJMESA-N 439.541 1.749 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367876 YESGLXMUAURGGB-LJQANCHMSA-N 443.573 1.707 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 1722408876 WCQPVYCSVQXJMS-UHFFFAOYSA-N 431.518 1.211 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1722450857 SDFICTQZGVGRBG-XMSQKQJNSA-N 431.537 1.119 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)c(OC)c2)CC1 1722451048 WRMGNDKFSOCGCD-UHFFFAOYSA-N 441.532 1.846 30 10 IDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1722549135 DFJJDOPHHUUBIC-UHFFFAOYSA-N 437.913 1.666 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)C1 1722714752 PDVLSSRGKNEDSI-QAPCUYQASA-N 442.495 1.580 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)C1 1722717623 CQBLKRHVAVXXKU-GOEBONIOSA-N 437.522 1.144 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)NC)CC2)n1Cc1ccc(C#N)o1 1727221437 TUEYLVWVHOUHRF-UHFFFAOYSA-N 428.497 1.171 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1728756593 PWBAODZDMSOMLF-OGLOHFSISA-N 430.509 1.445 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CCO1 1729678642 FQROXSGTOBURFE-KRWDZBQOSA-N 440.895 1.318 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730490814 XNLJNRVYQBZMSV-HRCADAONSA-N 430.488 1.143 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730631522 IDQURAQOQQXODL-QFIPXVFZSA-N 425.537 1.926 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1COCCO1 1740560808 PXTQRBGYPMHLLH-IFMALSPDSA-N 438.576 1.516 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1740590601 IIUMHMREUZAXQE-AOMKIAJQSA-N 446.552 1.702 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1740596852 GDVNLQXWDHRGRM-UHFFFAOYSA-N 428.512 1.620 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1740622219 WFIZIDSQLWTOKZ-MRXNPFEDSA-N 430.530 1.617 30 10 IDEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(N)=O)C1 1740861466 NXRQBJPNFSAHHY-OAHLLOKOSA-N 431.566 1.906 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1740888845 WXESWGQVRFMVAG-MRXNPFEDSA-N 429.587 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)cc1 1740991318 TVGQHOUQZMDPBG-KRWDZBQOSA-N 433.534 1.475 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)C 1741849644 GZLJCPBLCOIGKK-AOIWGVFYSA-N 439.568 1.847 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1748750951 ABBWEERXROHZFE-UULLZXFKSA-N 434.587 1.967 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1748818453 ZVZCYAJXPIXTQH-HOTGVXAUSA-N 446.520 1.471 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1748891790 FZJCUWGDNAVWQA-GOSISDBHSA-N 447.586 1.378 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1748988696 KPQMQZRRMQPNJK-IBGZPJMESA-N 437.497 1.457 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2cnn(C)c2)CC1 1749009895 XDAVBWHAOZOJMV-UHFFFAOYSA-N 433.520 1.067 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ncn(C)n2)CC1 1749016922 QAVDYQGFUTXXPU-UHFFFAOYSA-N 448.531 1.020 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1749229892 QNBOFYALLDQCHW-ROUUACIJSA-N 441.598 1.686 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1749354143 JUKMJLDGUIOZJD-HNAYVOBHSA-N 427.571 1.486 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1749755478 HOJATGLFCMOBFW-HRCADAONSA-N 427.596 1.519 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760162712 FAQMAKMUQNLXNS-HZPDHXFCSA-N 430.534 1.011 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1760186558 DJSYPXYHGNVBCI-PMPSAXMXSA-N 437.591 1.142 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1760242907 RSELSMUFYVLIAE-OBZTUIKSSA-N 443.573 1.560 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760246943 JBLWQBPPWQHPBS-GOSISDBHSA-N 442.545 1.184 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1760257765 IQYBVZUVTXREEP-UHFFFAOYSA-N 448.527 1.523 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760326977 AORAUFCOPGZNMZ-QUCCMNQESA-N 448.568 1.370 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1760498402 QEVDYDFRMSZBRT-UHFFFAOYSA-N 447.561 1.919 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 1760529183 YTMAQTNEWONOSL-GOSISDBHSA-N 443.573 1.674 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCS(C)(=O)=O)cc1 1760529489 AAULCMUEYXAEQR-UHFFFAOYSA-N 447.561 1.608 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1760830165 LSFLEOYQFXGCOC-QGZVFWFLSA-N 425.493 1.437 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760947147 BFGBIEGPDPIYAK-WIYYLYMNSA-N 429.546 1.991 30 10 IDEE CCn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N(C)C)c2ccccc2c1=O 1765579757 HOBCZKLRBIGVOS-NRFANRHFSA-N 438.467 1.205 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccc(C(=O)NC)c2)CCOC1 1765817380 DNMKVJKRZKLABW-AOMKIAJQSA-N 426.521 1.934 30 10 IDEE CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)CC1 1766567237 FTLBRNQUYSKOCW-GOSISDBHSA-N 439.564 1.842 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1766862768 VNJLABZNMNXGHN-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCSC1 1767061661 BXZSXUGQFYLIIH-NRFANRHFSA-N 426.546 1.890 30 10 IDEE CCNC(=O)N1CCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1767233507 ZPUHTQIKTIQCDO-DXQAYGFFSA-N 444.540 1.170 30 10 IDEE CNC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767813228 PDIZNEWAJAUUAD-UHFFFAOYSA-N 447.499 1.549 30 10 IDEE COC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1767949980 PJFSNNOFZBBXNM-HMWBCQRISA-N 443.508 1.349 30 10 IDEE Cn1ccnc1CN1C[C@@H](F)C[C@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1C(C)(C)C 1769045550 AMOUCNADVUYBFK-YESZJQIVSA-N 430.532 1.650 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1769994457 JUXGBBGLFTURQR-RKVPGOIHSA-N 429.518 1.269 30 10 IDEE CON(C)c1nnc(COc2cc(C)ccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1770251658 VALJBMCYTMCDIF-VXPUYCOJSA-N 426.477 1.998 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1770980760 DVYMKJXHLILXDA-NHCUHLMSSA-N 430.509 1.923 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)C1 1771347489 ICAJXSNVTPAFNU-IBGZPJMESA-N 428.562 1.926 30 10 IDEE CSCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1771482477 NYXHJCXQXNHSEJ-QGZVFWFLSA-N 428.566 1.934 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1771536821 CGRRYBZUGZBSLC-SFHVURJKSA-N 438.513 1.684 30 10 IDEE N#Cc1cccnc1C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1848845909 SETSNQNPWDSLQG-UHFFFAOYSA-N 440.525 1.994 30 10 IDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)OC1=O 1855064700 ZGXSVPYTKWCGJL-INIZCTEOSA-N 427.429 1.768 30 10 IDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1856165292 UZFKZDQNLAFDNC-ZWKOTPCHSA-N 436.578 1.191 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN([C@@H](C)CCC#N)CC2=O)c1 1856438636 GDDOKKVDWXYORH-PKOBYXMFSA-N 432.546 1.511 30 10 IDEE N#Cc1c(I)cc(S(N)(=O)=O)cc1I 2055361583 ZKRSVTUDUMYWNX-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE Cc1csc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1C#CCO 2100787723 JHDQIKOAVSVMNN-UHFFFAOYSA-N 432.523 1.506 30 10 IDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NCc1occc1B1OC(C)(C)C(C)(C)O1 2126769844 NWBHDNFOWJOECZ-UHFFFAOYSA-N 447.345 1.809 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 2247581200 IWKRWHNDEUQMTI-XNROWMOSSA-N 437.537 1.637 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2255644403 IVFNLCUTOIGKJZ-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2255650388 ZGKBDPPCSFLNGL-UONOGXRCSA-N 432.330 1.553 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255672458 HVCBCQLBBJWPQC-CHWSQXEVSA-N 435.334 1.290 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255832741 QOXSIQVXQVDYTJ-IPYPFGDCSA-N 432.330 1.694 30 10 IDEE C[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255940392 AKPICTKPHHNKBB-INIZCTEOSA-N 448.398 1.518 30 10 IDEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2267265056 AADYJPSKGCIKHD-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267278545 DGZNTCCQTAAGHN-RCDICMHDSA-N 444.341 1.905 30 10 IDEE COC[C@](C)(CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312543 XVPJGZWWJXMXIH-HNNXBMFYSA-N 425.765 1.376 30 10 IDEE COC[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312582 YLTXSOQJIVMTNR-HNNXBMFYSA-N 425.765 1.376 30 10 IDEE NCC#Cc1cnc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c(F)c1 2283551510 DUIYJRCHKCQMDZ-UHFFFAOYSA-N 430.461 1.349 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303111971 OHPLQCNTYYGMOT-APIJFGDWSA-N 426.319 1.022 30 10 IDEE Cc1cc(N(CCC#N)C(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)ccc1Cl 10939083 HIKOJVOSNIGACZ-VMPITWQZSA-N 444.875 1.549 30 10 IDEE C[C@@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 28645359 RQJOXMRJADDWJY-AZWQULSGSA-N 428.420 1.115 30 10 IDEE CCOC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)OCC 59449572 DVFZCBGXAUNLSW-UHFFFAOYSA-N 426.476 1.838 30 10 IDEE COc1cc(Br)cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1O 169907674 JIEFAUUISKTBHI-REZTVBANSA-N 442.247 1.910 30 10 IDEE C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C[C@H](C)[C@@H]2O[C@@H]2C(=O)[C@](C)(O)[C@@H]1OC(=O)C(=C)C 256069133 BWAZUXQZSXFTJK-LDBYGLHXSA-N 448.468 1.187 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 410136905 LDGSCZHZNUJAQK-UHFFFAOYSA-N 428.942 1.134 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 436463238 XAYNGRQQYBFOKH-RTBURBONSA-N 426.498 1.832 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447264324 BCWXIZURQQWBMW-UHFFFAOYSA-N 446.479 1.125 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447784885 GGCYJCGQOKCGGN-OAHLLOKOSA-N 449.536 1.085 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 460547046 MBKYCDUSTGZKMT-CVEARBPZSA-N 429.612 1.909 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 470328168 NMJPKEHVXCVNML-GFCCVEGCSA-N 436.515 1.217 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)CC2)c1C#N 472075150 OWAQSMBRXFANMF-OAHLLOKOSA-N 428.928 1.759 30 10 IDEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)NCCOc2ccc(C#N)cc2)C1=O 472990418 OJQAOWCZGQQMDP-INIZCTEOSA-N 428.470 1.890 30 10 IDEE COc1cccc(N2C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 481276946 PVJNVMTVWSHILW-HOCLYGCPSA-N 442.497 1.155 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(CC(=O)NC4(C#N)CCCCC4)CC3)C2=O)n(C)n1 506599063 ZTBSFTNTZPVHNF-IBGZPJMESA-N 441.580 1.184 30 10 IDEE C[C@H]1Oc2c(cccc2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)NC1=O 520504082 APKUYSCYEYRMAT-CQSZACIVSA-N 440.481 1.424 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCN1CCOCC1 523253398 FPAMSKAXWXTOJB-INIZCTEOSA-N 443.544 1.499 30 10 IDEE CC(C)(C)OC(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 525473964 UMOZSHVMBGZNTH-UHFFFAOYSA-N 439.559 1.466 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 537541948 VLYDZVIEOVOPQO-QGZVFWFLSA-N 437.903 1.214 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCCCN3CCN(c4ncccn4)CC3)CC2)n1 544840954 AOXOIPWDKLMSIW-UHFFFAOYSA-N 449.563 1.177 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)CC2)n1 544864350 CDDPTOWKCCJNPG-MOPGFXCFSA-N 439.516 1.584 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)CC2)n1 546177164 VNCROKTWBSGICT-UHFFFAOYSA-N 447.587 1.993 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CCN1Cc1ccccc1 564477292 IQLJLNNZBKGOOI-MRXNPFEDSA-N 435.459 1.287 30 10 IDEE COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1 603990278 WPEDZDWVCZOKRT-QGZVFWFLSA-N 440.521 1.604 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C#N)c2=O)o1 604001300 JZDALCFABFBMJM-UHFFFAOYSA-N 430.489 1.798 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729669782 BEHCIAVYSCNUHK-LPHOPBHVSA-N 447.564 1.941 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCO2)C1=O 730138959 OZRZYLHQVCGVGY-AEFFLSMTSA-N 429.546 1.737 30 10 IDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1C#N 746768022 GRICLVHDPHJGLG-UHFFFAOYSA-N 449.577 1.903 30 10 IDEE C#CCN1CCN(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 749877456 YSUNVJKXJCJMQT-RUZDIDTESA-N 430.508 1.454 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 757459688 XPHJOQAJGRBXQX-NXCRSVRDSA-N 432.502 1.418 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(c2ccccc2C#N)CC1 765662777 XLJRYOGZXURHGL-MRXNPFEDSA-N 437.525 1.882 30 10 IDEE CCN(Cc1ccccc1)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767633062 VUEDXFSOFPIYBG-INIZCTEOSA-N 429.498 1.817 30 10 IDEE CC(C)CN(CC(F)(F)F)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767676518 BXBMIEARARQEIN-ZDUSSCGKSA-N 449.451 1.815 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 767871096 CGCKMKSHYCHQJO-KRWDZBQOSA-N 426.542 1.475 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 769612801 GDFPAINHBTYTGV-JGWKNBOWSA-N 425.407 1.889 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774170926 JGLAQNLSXBLKPH-NRFANRHFSA-N 432.590 1.026 30 10 IDEE C#CCN(C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 774187299 GXVNTYAHRSXNOZ-IKGGRYGDSA-N 427.567 1.854 30 10 IDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1cccc(Cl)c1 777254058 FZNKTUVKXFJSSZ-ISLYRVAYSA-N 442.863 1.415 30 10 IDEE N#Cc1ccc(C2(C(=O)OCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 781394758 ORNMMYPTHNCFMU-RTBURBONSA-N 446.525 1.328 30 10 IDEE N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 781995650 VOTGRYASBLBQSJ-LJQANCHMSA-N 442.497 1.960 30 10 IDEE C=CCOC(=O)N1CCC(OC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 790840991 GFORLPWSKDRNHV-HXUWFJFHSA-N 441.484 1.792 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCCN2S(C)(=O)=O)C1=O 795176621 JNUZAFMJKLONGA-HZPDHXFCSA-N 438.575 1.568 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 800775414 LOQWXQIDQVLPBV-KRWDZBQOSA-N 433.534 1.904 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812054594 KKJYUYHTZCHDNQ-GOSISDBHSA-N 429.546 1.286 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCc2cccnc2C#N)c1OC 813309101 SKZKFOJPEXGHIE-UHFFFAOYSA-N 447.469 1.348 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)sc2nc3n(c(=O)c12)CCC3 916179599 DSDGOLYUBFXWSV-UHFFFAOYSA-N 428.495 1.844 30 10 IDEE CN(C)C(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 916716826 ZZUWWDORUSUTJB-RELWKKBWSA-N 435.550 1.832 30 10 IDEE C[C@H](Sc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1)C(N)=O 1126877284 JHRQVHCTOBJENG-AAEUAGOBSA-N 439.563 1.623 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1134277361 AHPKCCQODAIQSO-CBNMVNINSA-N 429.517 1.796 30 10 IDEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)cn1 1134685136 OAXPQMULLHWLJH-HNNXBMFYSA-N 432.221 1.871 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N[C@H]3CCN(O)C3=O)c2C(F)F)CC1 1141380175 IIIICDOFVCJHQV-NSHDSACASA-N 444.439 1.508 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 1148406433 RFHXHWWHENBCNI-UHFFFAOYSA-N 427.320 1.490 30 10 IDEE N#Cc1ccc(N2CC[C@H](C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)C2)c(F)c1 1152221898 QRMIKSYHPOEUCS-SFHVURJKSA-N 435.459 1.892 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)Cc3cccc(OCC#N)c3)CC2=O)C1 1158425834 HXECFIHXBMGSDC-INIZCTEOSA-N 428.489 1.468 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1 1158946276 VNHIEWFHGSMGSW-UHFFFAOYSA-N 437.543 1.161 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(Cc4nc[nH]n4)CC3)C2)C1 1165249668 JOVMVSJUONFZRB-ZGOJQLDESA-N 429.525 1.236 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CSc3ccncc3C#N)CC2)c1 1166494424 JVKQXWFVIXUMNV-UHFFFAOYSA-N 444.538 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H](F)C1 1181756942 NQFXQWZRAVLXIT-HOTGVXAUSA-N 440.497 1.300 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)C1 1248682301 VZMNJJJTXJSHTD-SJORKVTESA-N 428.537 1.671 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c([N+](=O)[O-])c1 1264527259 ATFOWMLYSLPVOR-UHFFFAOYSA-N 432.433 1.971 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1286298025 ZOSNFHKSHVIIDK-QFBILLFUSA-N 447.561 1.320 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286320647 DWJAMCIMDLNEEQ-UHFFFAOYSA-N 433.520 1.303 30 10 IDEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286357661 YEGNASFHERZEOU-GOSISDBHSA-N 436.516 1.034 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1286409155 INMOCHPCEHCHAO-QGZVFWFLSA-N 431.537 1.820 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(C)=O)nc1 1286411514 WUNGHBYPUHPPMW-UHFFFAOYSA-N 438.495 1.991 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1286457123 GWGXJJUOWINCCL-HNNXBMFYSA-N 433.534 1.053 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1 1286546810 LQYWGWOYQZETMN-NXHRZFHOSA-N 439.582 1.652 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc2O1 1286727734 YLLFHCMSGMWOAJ-YJBOKZPZSA-N 449.533 1.073 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N1CCSCC1 1286755151 MIDHTCGFXSOEQZ-UHFFFAOYSA-N 435.579 1.292 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286780724 ZKDVMUOYQDCLCA-HNNXBMFYSA-N 434.504 1.304 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)C1 1286799269 UQXMUBQZACJBAI-GOSISDBHSA-N 444.580 1.944 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1287419707 MQIPFRMNDHFATC-LSDHHAIUSA-N 426.491 1.154 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1OC 1300077299 OARHHADVBAHJTN-ROUUACIJSA-N 443.504 1.887 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cn(C2COC2)nn1 1300276968 TZJQMQBMTTYBKB-LBPRGKRZSA-N 445.325 1.715 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1300365532 YNDAFSIWJFFYCC-SFHVURJKSA-N 446.577 1.602 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)cc1 1300466020 SSYROELCOGMFNY-QGZVFWFLSA-N 437.953 1.577 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1300630883 IPKZGRHCULWAMR-IBGZPJMESA-N 447.561 1.436 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCOCC1(C)C 1300674689 CKLPMNIROQPRJS-UHFFFAOYSA-N 429.569 1.337 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)(C)C)CC1 1301223282 QMCPQASQNDZYIX-KRWDZBQOSA-N 440.614 1.498 30 10 IDEE C#CCCN(CCOC)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1301378254 CWVLLFBBDJYYCN-QHCPKHFHSA-N 433.508 1.998 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CCC)C1 1301556018 FAXZORVZSQEANY-XMTFNYHQSA-N 439.582 1.753 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1301568881 YVNDNDHMARDAPC-QGZVFWFLSA-N 447.565 1.190 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1O 1302839333 RERFADFFTVFDRF-AYBZRNKSSA-N 429.546 1.849 30 10 IDEE COC1(OC)CCOC[C@@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1308046247 KBGGXPWLDRAWQF-JXFKEZNVSA-N 446.548 1.724 30 10 IDEE CCOCc1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1314329608 XQOHTBAOXZVVSC-JVMRMLDLSA-N 444.536 1.472 30 10 IDEE NC(=O)C[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316549664 JLDFSTIKHMTLLX-AOMYARPXSA-N 427.509 1.164 30 10 IDEE CC(C)c1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cs1 1317976412 JKEBLYWZMASRSI-OAHLLOKOSA-N 444.582 1.450 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1358893318 RWZFGDXCTVZSKX-INIZCTEOSA-N 434.591 1.100 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC)c1 1358903428 WOIHYXXGGSYOSY-UHFFFAOYSA-N 448.531 1.332 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1358904241 ZYHDBAOOMHNJAH-QGZVFWFLSA-N 440.552 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1359021170 FBAFBKMQXJGJTL-UHFFFAOYSA-N 449.519 1.053 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@@H]1OC 1359023385 IWEZDSQYJMFNLP-YJBOKZPZSA-N 431.493 1.143 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1359024250 IZZFSMQUDXQGRS-MOPGFXCFSA-N 437.610 1.531 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359207980 CABIDZZJFHSOFW-BEFAXECRSA-N 437.570 1.340 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)C(C)C)C1 1359319367 XWZXKPXRIIQWGC-OAHLLOKOSA-N 430.509 1.559 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359455273 LAZIKYPZVSSSPW-NRFANRHFSA-N 448.531 1.753 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1359471954 CNLCBMJGDHDOSM-CRAIPNDOSA-N 441.511 1.849 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1Cc1cnnn1C 1360222023 INAHPXCBNZPHPC-IBGZPJMESA-N 447.547 1.924 30 10 IDEE CN1C[C@@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)N(C(=O)OC(C)(C)C)CC1=O 1436539195 CTQOVQCHEJYHTC-CVEARBPZSA-N 429.477 1.011 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1442474611 QOIIBYVMSSUXMR-LSDHHAIUSA-N 427.592 1.770 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCc2nnnn2CC1 1451692382 LDYXSCZTSXHYEQ-LPHOPBHVSA-N 437.504 1.900 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)c1ncc[nH]1 1453517958 OMDHUUQYOLFIOP-FZKQIMNGSA-N 427.461 1.993 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3nc(O)c(C(N)=O)cc32)c1 1464030384 KHNFNHYGZWNROV-KRWDZBQOSA-N 427.482 1.491 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C(=O)OC)nc1 1464513819 BUJBEUIXYZPVPC-UHFFFAOYSA-N 437.518 1.892 30 10 IDEE CCn1c(CCC(=O)NCc2cncc(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 1471966269 OYALMTHDDTUBMX-UHFFFAOYSA-N 440.529 1.822 30 10 IDEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(c2ccsc2C#N)CC1 1475491327 DSCAEPGSCLWAKD-UHFFFAOYSA-N 434.543 1.775 30 10 IDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1507566649 GVROMKQVXBNGAF-QGZVFWFLSA-N 446.552 1.668 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507623683 VQPFLBIPGIZPKX-HOTGVXAUSA-N 444.623 1.632 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507636030 XMPLBZGIJSLVED-KRWDZBQOSA-N 442.570 1.704 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1n[nH]c(C)n1 1507652614 HUDUNARXWSSLNW-UHFFFAOYSA-N 430.520 1.194 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 1507724199 KKXWMHMGNFKNTC-IBGZPJMESA-N 426.540 1.484 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccsc2)CC1 1507738299 MEAHIZUGSCLXKG-KRWDZBQOSA-N 426.546 1.499 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1507917143 YULHSPXGWIVGOM-HNNXBMFYSA-N 444.623 1.796 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1507954946 SKVXVEUAMMDPLQ-QZTJIDSGSA-N 449.581 1.652 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1508057706 KSBJBUHMRQFGNH-HNNXBMFYSA-N 429.525 1.229 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508084277 LARXGHGRIOQDKZ-SFHVURJKSA-N 425.537 1.307 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1508089213 FDNXIOURCXQMKO-HTAPYJJXSA-N 445.951 1.922 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1508427808 RUSIPRBDIMUZIL-INIZCTEOSA-N 429.550 1.816 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)[C@H](C)C1=O 1509425294 ZWLSMUKNPUEJHQ-MZNJEOGPSA-N 449.559 1.988 30 10 IDEE CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1512662239 KPYUJBAJNKHFGZ-LEWJYISDSA-N 429.546 1.993 30 10 IDEE CCOc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1516356294 FRZCZGCXBHWKIR-UHFFFAOYSA-N 433.472 1.507 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnc(C)s2)C[C@H]1O 1517689618 LFAJSNKTSWSOHX-SJLPKXTDSA-N 438.513 1.990 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539144968 AAXZIMYQHOSZPY-OAHLLOKOSA-N 428.459 1.237 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)COCCO1 1539154139 HFVZEVVQPRWRIT-HXUWFJFHSA-N 433.534 1.070 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539230781 KERQGIYITVSOMV-HZPDHXFCSA-N 437.566 1.061 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1conc1COC 1539267376 YSCIZPCBUOYKQQ-UHFFFAOYSA-N 446.515 1.708 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)CC1 1539446558 GAQSQZCOHDOWET-IBGZPJMESA-N 435.594 1.142 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(CC)C(C)C)CC1 1539480510 AORIRXMFOWCJBA-HXUWFJFHSA-N 430.597 1.868 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1539512927 HFIQYVRDGZPGRO-DLBZAZTESA-N 432.594 1.728 30 10 IDEE CCn1c(=O)c2ccccc2n(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1=O 1539535431 IRYGWEWAPSDBGF-UHFFFAOYSA-N 432.480 1.877 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1539557718 YMNLWLFCIYRXPY-IIBYNOLFSA-N 430.530 1.935 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1540186599 FMNVEIVISTYMTH-HRAATJIYSA-N 447.561 1.487 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCOC1 1540197944 ABTQKXCWYNRXFV-OAQYLSRUSA-N 426.477 1.384 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1540862869 LGAPGUPLXGPPPA-HUUCEWRRSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1540871160 FXFLOJLYHFUTLF-IBGZPJMESA-N 440.548 1.557 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1541803509 IWXJMNWHBQDLJR-ILXRZTDVSA-N 440.570 1.832 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1541926993 CBZQGFAVWNPTHU-LZBRWLDZSA-N 440.545 1.535 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)c(CCO)c2=O)n1 1542889206 RSCQVYXIUJNHMT-INIZCTEOSA-N 426.864 1.755 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3cc(S(=O)(=O)NC4CC4)ccc3O)CC2=O)cc1 1546114442 NBNOTVHHBMVVEK-AWEZNQCLSA-N 440.481 1.696 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1548315283 OXCXZJFUWYYKBW-IBGZPJMESA-N 428.562 1.926 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1554184696 AHZDZLJDROQLBM-UHFFFAOYSA-N 444.446 1.480 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCOCC1 1554462511 GOVRXRPGIBSCTA-UHFFFAOYSA-N 426.521 1.711 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCCN2CCC[C@H]2CO)cc1 1555989666 OZKJPSBYNVEWGO-FQEVSTJZSA-N 442.589 1.622 30 10 IDEE O=C(CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N1CCOCC1 1564464358 LVQFIRFMJAODOP-IUCAKERBSA-N 439.303 1.658 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1585293040 ASHRLSUNFMUOJQ-GFCCVEGCSA-N 446.323 1.248 30 10 IDEE CN(c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1)S(C)(=O)=O 1586138096 WWTKONQOOBIMKA-QGZVFWFLSA-N 426.498 1.623 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587883710 JUWZIVPTGRCDJH-LJQANCHMSA-N 447.499 1.615 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(F)cc(F)c2)CC1 1588865305 SKXVQFAUOQLNAF-UHFFFAOYSA-N 428.487 1.677 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)C(=O)NC)CC1 1588946632 GNQUCYXNTHLMOG-UHFFFAOYSA-N 437.548 1.002 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCC[C@H](C)C2)CC1 1588954264 CJYQEKZEIOWEAD-FQEVSTJZSA-N 449.603 1.962 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C2CC2)CC1 1594241608 WBGOTOAHHWKSDZ-XLIONFOSSA-N 439.582 1.174 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594533433 CMGWELSRSTXIBH-QGZVFWFLSA-N 430.553 1.659 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1595171502 VRWAIAZBPQSLOF-MOPGFXCFSA-N 437.610 1.715 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1595218431 JYLNKRHPXKSHFI-GUDVDZBRSA-N 437.610 1.858 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C)c(C)s1 1595303544 UWGKOGPGBIVZGE-OAHLLOKOSA-N 425.580 1.941 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 1596680160 FXMOPAMXNKFZSI-UZUQRXQVSA-N 427.501 1.948 30 10 IDEE CN(CCc1cccc(C#N)c1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1597458420 PMHTWAZQSKPVFH-UHFFFAOYSA-N 429.278 1.465 30 10 IDEE Cc1c(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)cnn1C 1611872104 WJYLAIDGOFQQFQ-HSZRJFAPSA-N 448.531 1.885 30 10 IDEE C#CCn1cc(CNC(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)cn1 1618800769 RRZBCFUCGSBTNL-AZUAARDMSA-N 430.530 1.080 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619780672 FQEWASBQKCVTGD-GCJKJVERSA-N 441.536 1.510 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1619989975 LVMYSEDFTMBMBA-OPYAIIAOSA-N 438.548 1.801 30 10 IDEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCS2(=O)=O)CC1 1620357389 GLFRHNDHXWPECB-UHFFFAOYSA-N 429.550 1.429 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3cccc(Cl)c3F)c3c2CCC3)CC1 1626966559 HHPXOQIHXYHBTA-UHFFFAOYSA-N 443.910 1.661 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1640794094 IMUGFJNCKIQTLA-HZPDHXFCSA-N 430.530 1.481 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(=O)n1CCO 1641368380 DPEYYRZVLBCWDC-UHFFFAOYSA-N 428.779 1.076 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CCOC2=O)CC1 1642190217 FHMALSRWIQMFFM-QGZVFWFLSA-N 448.545 1.727 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1642543262 NTBUKIMZTNAZGK-QHCPKHFHSA-N 433.468 1.657 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)c1 1645229205 HPMDFXSUISTVHN-UHFFFAOYSA-N 431.518 1.354 30 10 IDEE COC(=O)[C@@](C)(CCF)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1645430283 MXFBQNVNIJFWJV-LJQANCHMSA-N 427.498 1.693 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2=O)cc1 1646202112 LBQVEONMBZLKNG-YSZBQJHXSA-N 440.500 1.137 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)s1 1646322380 ULGSZKPLFHKYRZ-LJQANCHMSA-N 438.575 1.461 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1649668924 IBDODKYFBPVLFV-VXAPJYQHSA-N 430.509 1.171 30 10 IDEE N#Cc1cn(CCC(=O)NCCN=[S@@](=O)(c2ccccc2)C(F)(F)F)c(=O)nc1O 1650892871 VZUYQAFFWCLVTG-SSEXGKCCSA-N 443.407 1.374 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2Cc3ccccc3OCC2=O)c1 1651694536 NRIOBYLOQXZHFI-UHFFFAOYSA-N 429.498 1.302 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1690124000 CBRNASYCQAHKFW-ZCNNSNEGSA-N 449.621 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2C[C@H]2CCC)CC1 1690136504 GCNXDXFZRMVHLP-USXIJHARSA-N 436.582 1.215 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2nccs2)CC1 1690148263 ARWSTWGMWOSYDA-UHFFFAOYSA-N 435.557 1.929 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)nc2)CC1 1690150387 FYARPIZDDMFWJO-UHFFFAOYSA-N 445.527 1.682 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1nncn1C 1690183293 SLBJRZXWQKQBBQ-KRWDZBQOSA-N 425.566 1.976 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3ccccc3)C2)nnc1[C@]1(OCC)CCOC1 1690678283 QPYKMOZACVHORW-CVDCTZTESA-N 441.532 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690731531 KTYWAUBAIMWZTO-SQGPQFPESA-N 440.566 1.505 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1696462024 NAEJEKVTQHJFQY-YCRPNKLZSA-N 444.561 1.554 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1697025184 CUYMCPOWXKXCTB-SFHVURJKSA-N 448.549 1.283 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(Cn4ccnn4)CC3)n2CCOCCCO)cc1 1698487392 JTCWNCDWUOXDPB-UHFFFAOYSA-N 436.520 1.724 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1705569036 CPHPDIHPRBJPRM-GOSISDBHSA-N 431.587 1.810 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1705675289 ZXHPDFLVQNGZII-GHTZIAJQSA-N 447.536 1.791 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)COC)CC1 1705700148 PGNNZNQPVSZXIT-APWZRJJASA-N 427.509 1.011 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705745188 BWUGFXFTMNEAGL-QGZVFWFLSA-N 440.976 1.499 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1706159030 BWISXVLQPKZDFG-BBWFWOEESA-N 432.525 1.910 30 10 IDEE CC(C)[C@@H]1C[C@H]1n1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706875194 IQZLCPYJRYCAJW-ISTRZQFTSA-N 445.549 1.640 30 10 IDEE CN(C)C(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1710987712 DEVLKXPOZFWXDF-INIZCTEOSA-N 447.540 1.210 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722353673 YXHVVMUXOHISOT-QGZVFWFLSA-N 425.518 1.391 30 10 IDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722355015 CVGRRTVNQDUTSI-QFIPXVFZSA-N 446.573 1.908 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1722359080 POUZKPHULBTLGO-LJQANCHMSA-N 443.573 1.826 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1722384109 UFTNJJAIUPBZEI-SFHVURJKSA-N 427.530 1.485 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722476331 QXPHQYPTADPOQK-SFYKDHMMSA-N 428.581 1.892 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1722688300 ASCQWQFOHSMIIY-RDJZCZTQSA-N 444.511 1.964 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722693686 XKTJOKIVTHWFMA-WMZOPIPTSA-N 440.548 1.937 30 10 IDEE CC[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1727769242 SZRLLHANMZQXIL-QBEKEKFNSA-N 438.536 1.902 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C[C@H]1O 1729782523 HAFHYZPFUBEFND-VTGBYBNISA-N 443.529 1.088 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1740589210 RMICFYWVSJXHHE-UHFFFAOYSA-N 429.528 1.844 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1740598468 RBTFBPPMDRGVOE-OAQYLSRUSA-N 436.560 1.965 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1740609274 IMZOWXHDNQPANG-SFHVURJKSA-N 428.562 1.561 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1740887086 BQWOSALWAHUNLT-IAGOWNOFSA-N 427.571 1.440 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1740919113 VGHQKTDWSGGSRN-SFHVURJKSA-N 434.504 1.859 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1740946691 BEBVSEYLAXFHDG-IAGOWNOFSA-N 427.571 1.235 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740953540 JGSXHQCLDPEJAW-AWEZNQCLSA-N 448.430 1.490 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccs2)C1 1740972746 MJVMQVQJSCSLGO-LSDHHAIUSA-N 425.580 1.974 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCCN1CCC[C@@H]1CO 1741653058 KWWICZIKZOEBCK-GOSISDBHSA-N 431.585 1.783 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)N(C)C1CCCCC1 1741903744 CLQAJWXHOBZNJW-HUUCEWRRSA-N 439.586 1.418 30 10 IDEE CN1C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCCCO)CCN2C1=O 1748053066 NVPOMFIRBBVDRT-GOSISDBHSA-N 439.520 1.447 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cnnn2C)c1 1748692375 GFBSUNVERSZBIB-QGZVFWFLSA-N 434.504 1.405 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1748717756 HRRADCPFUOJCLY-RBUKOAKNSA-N 425.489 1.545 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1748826292 QPRVGPMXMYOPDI-QRWLVFNGSA-N 449.964 1.522 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749450524 KBBXGFVTTQTTMK-LJQANCHMSA-N 432.569 1.265 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749651136 OFEYLCIULZMOSQ-GOEBONIOSA-N 443.483 1.073 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1760153026 FUOSFISTOOGHIR-HNNXBMFYSA-N 428.566 1.773 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760180361 CRMSFMUFSVNHLD-MRXNPFEDSA-N 435.937 1.313 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1760197255 YSDXYQBOYINPTA-XZOQPEGZSA-N 425.533 1.402 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3c(s2)C[C@@H](C)CC3)CC1 1760252242 OEQYGEFPGWHIHH-INIZCTEOSA-N 441.605 1.801 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)N2CCOCC2)CC1 1760258130 PWPPMQNDFUDEAC-UHFFFAOYSA-N 426.540 1.950 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760407257 YJKIPJMGCRPQJF-KFWWJZLASA-N 440.570 1.425 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760528073 RDEFSPNEECAJOH-JKSUJKDBSA-N 433.484 1.539 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1760686869 AMSIWBQGWRXRHT-SZNDQCEHSA-N 443.939 1.936 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1767634949 QNEFYIIEQRFSRR-ZHRRBRCNSA-N 440.504 1.463 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1771534433 AVBRQFRRVVQKRU-NVXWUHKLSA-N 446.458 1.855 30 10 IDEE Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N(C)C3CN(c4nccnc4C#N)C3)n2)cc1 1849829178 RFPGDBMUYCDMHQ-INIZCTEOSA-N 429.484 1.789 30 10 IDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2cccc(Cl)c2)CC1 1853427539 CWSHIKODNVLSSN-UHFFFAOYSA-N 441.937 1.905 30 10 IDEE O=C1Cc2cc(S(=O)(=O)NC(=NOCCN3CCCC3)c3ccccc3)ccc2N1 1853514569 ASXVQQOMZAARFI-UHFFFAOYSA-N 428.514 1.934 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2ccccn2)c(C)c1 1853557263 IOGYEKFBBXROHA-UHFFFAOYSA-N 432.502 1.214 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)COc3cc(F)ccc3F)cc2C1=O 1870157728 AWMRXNXJSXNBGF-UHFFFAOYSA-N 438.350 1.660 30 10 IDEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873594780 BKWPKPBPTGNEBO-UHFFFAOYSA-N 429.525 1.187 30 10 IDEE CC(C)(C#N)OCCS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882497304 HTXVIYSOFQYFAX-OAHLLOKOSA-N 426.491 1.878 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@@H](COc3cc(C(N)=O)ccn3)C2)cs1 1891431477 DNMOQCKITJWFJH-CYBMUJFWSA-N 429.502 1.484 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247919648 SJNTVNVYSMIXRU-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248400877 BXTJVHGBNIHTNV-WFASDCNBSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255539054 UHAQXMGWQLFTIW-CABCVRRESA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H](C#N)C1 2255630667 NHSTXYDUMZUCOD-CYBMUJFWSA-N 431.302 1.294 30 10 IDEE Cn1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2256881868 BZDGISDRUXTJJT-INIZCTEOSA-N 429.282 1.119 30 10 IDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2256920060 JQTNOUYVXJVENY-UHFFFAOYSA-N 428.298 1.320 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1 2267115791 LNSZEOAVMHHUAS-KBPBESRZSA-N 447.345 1.196 30 10 IDEE C[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267879681 KBHAESWHEUKAGS-RYUDHWBXSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646020 RPXGBTCXHRTUHN-FUHWJXTLSA-N 446.353 1.972 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 2271391114 YIBIOKOTQQFCBU-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE COCCN(CCO)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282832515 AGDDROIUVIXSTM-UHFFFAOYSA-N 425.765 1.330 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2312859744 DOSSLJGHVYKTGD-BPLDGKMQSA-N 432.330 1.457 30 10 IDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)cc1O 2330778236 GFRDNFPYOXAOOU-UHFFFAOYSA-N 448.549 1.948 30 10 IDEE CN(CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)S(=O)(=O)c1cccs1 29984697 WZFFPPOOOXIANH-UHFFFAOYSA-N 432.571 1.975 30 10 IDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)c(C)n1 102752931 PETGKDQTJIIEOH-GOBJLOIFSA-N 440.475 1.986 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 460939256 VPGCDUWNVQRPPW-CQSZACIVSA-N 435.506 1.827 30 10 IDEE COc1cc(N2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)ncn1 461963928 SVIRBNBTAKAZJE-SFHVURJKSA-N 435.488 1.384 30 10 IDEE N#Cc1ccc(OCCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 462903515 AWCFFDNVHNUKNR-UHFFFAOYSA-N 432.458 1.978 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)n1cnc(C#N)n1 466933037 FGTISOYBNJSWMM-LLVKDONJSA-N 426.861 1.036 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H](O)Cc2ccccc2Cl)CC1 475307595 DTIJLTRHJCBAIV-SFHVURJKSA-N 433.917 1.648 30 10 IDEE Cc1nc2[nH]c(S(=O)(=O)CC(=O)NCc3ccc(C#N)cc3)nc2cc1Br 479994145 SRUJFYHWYOIGCY-UHFFFAOYSA-N 448.302 1.991 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C[C@@H]1CCCO1 507080017 QBSIUMRPKMREIJ-SFHVURJKSA-N 443.544 1.956 30 10 IDEE COCCOc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 538499007 NAMMQXZHOMDUIH-UHFFFAOYSA-N 430.486 1.125 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)c(C)c1 585227211 RQSMKGBEYNEELQ-UHFFFAOYSA-N 428.518 1.810 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c(F)c1 586862028 HIHBDECDZGAEQJ-UHFFFAOYSA-N 426.423 1.827 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 610421385 UJYVPRVLSMMOTJ-LJQANCHMSA-N 433.509 1.863 30 10 IDEE N#CCCN(C(=O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1)c1ccccc1 615456478 DNHYRTZOXBZUFD-UHFFFAOYSA-N 427.530 1.403 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c(OC)c1 619106183 YECINKBIKJNPLJ-KRWDZBQOSA-N 435.484 1.672 30 10 IDEE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732669714 OQVHQXFAJKAGRK-RRGWEWPQSA-N 435.502 1.251 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 733150835 XDOMFTXGRDBRFS-SFHVURJKSA-N 441.532 1.728 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1OC 747580211 GAAWJBPMCVVAEK-ZWKOTPCHSA-N 430.505 1.955 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)COc1ccc(CC#N)cc1 747670559 XOFGRHXSJNLIST-IBGZPJMESA-N 446.548 1.503 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)C[C@H](C)O3)c1=O 758049598 IIKRBIVMLQJARL-AWEZNQCLSA-N 434.517 1.747 30 10 IDEE COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 768108954 SZEKMJIYMIVPKC-UHFFFAOYSA-N 445.497 1.632 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1)c1cc[nH]n1 770836409 WSJDXQUJHJKZIC-GASCZTMLSA-N 444.492 1.019 30 10 IDEE C#CCN(C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 774038290 HWGRRACPGFIQCM-SFHVURJKSA-N 435.571 1.459 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 779859664 XANCZCDGNZACQV-NRFANRHFSA-N 438.525 1.444 30 10 IDEE CSCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(S(C)(=O)=O)cc1 789991797 PCELTPPFQBVYPX-UHFFFAOYSA-N 436.588 1.895 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1(c2ccc(F)cc2F)CCOCC1)c1cc[nH]n1 789995007 JLAQKVLLDFZIGB-UHFFFAOYSA-N 436.415 1.794 30 10 IDEE Cc1cc(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccsc2)n(C)n1 790027028 QAANELMQQWNAIS-MRXNPFEDSA-N 434.591 1.990 30 10 IDEE C#C[C@H](NC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 810470127 COXGMGWVGLJXJO-HOTGVXAUSA-N 434.905 1.634 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N(C)C)CC1 842185313 FHZCWNRGCYBBES-QGZVFWFLSA-N 434.562 1.611 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856530995 IOHZJUHGJZUKDU-JKSUJKDBSA-N 449.330 1.860 30 10 IDEE C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1cccc(NS(C)(=O)=O)c1 918086660 HSEJOIIQTJRVEI-HNNXBMFYSA-N 428.518 1.918 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)c1 1084065055 ALRHZTOGWYTUIN-UHFFFAOYSA-N 439.505 1.912 30 10 IDEE N#Cc1ccc(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1 1130907153 CYUXRPJDMFMOLR-GOSISDBHSA-N 439.493 1.854 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1137094422 PJZNGTYHINCPGM-UHFFFAOYSA-N 440.474 1.158 30 10 IDEE Cc1cccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1NC(=O)c1ccccc1F 1161673378 FHHMXQPYFHUYHL-UHFFFAOYSA-N 435.415 1.950 30 10 IDEE C#CCN(C(=O)N[C@@H](CC)C(=O)N1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1222867068 DHBFTUSCJYBBQO-SFHVURJKSA-N 436.553 1.668 30 10 IDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1252923025 JQAWSCPZQSZQCH-KRWDZBQOSA-N 443.552 1.910 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1286380638 CFEKKRHVVRNENO-KXBFYZLASA-N 446.520 1.602 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)NC(C)C 1286418219 CQYPOZVNQMPFCX-UHFFFAOYSA-N 429.546 1.744 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286711549 MNATZTMHRFRIKV-INIZCTEOSA-N 427.571 1.283 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1286762317 DTIKPTTWUMHPLL-PMACEKPBSA-N 446.573 1.831 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286790188 JTRYEMIAIJVNCD-QFIPXVFZSA-N 443.573 1.381 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1286977333 HUDXFJXQVHBGJJ-HZPDHXFCSA-N 442.549 1.756 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1287776352 IWVGJCHYFYLVBU-UONOGXRCSA-N 431.917 1.645 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1287989590 ZXWJVDUKVMLBNU-UHFFFAOYSA-N 429.445 1.281 30 10 IDEE COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1288227831 ZVELHBFVGPFOKK-IERDGZPVSA-N 434.924 1.370 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1289361795 KMOUSAPMFSNBOA-QFIPXVFZSA-N 441.484 1.635 30 10 IDEE Cc1ccccc1Cc1nnc(N2CC[C@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290159133 SBUATDQJMDUMPP-XGIGFIBQSA-N 449.515 1.015 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)cc1 1292108043 NLULAGUBXTYZNS-UHFFFAOYSA-N 430.486 1.308 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)C[C@H]1O 1299412122 CDJJLVKMYGELDW-VAMGGRTRSA-N 438.532 1.517 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1299909800 CPNDYJFJUPLTDM-RCDCFZSISA-N 433.896 1.876 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCN2CCCC2)CC1 1300410472 NJIUPNIVSKJUPG-LJQANCHMSA-N 449.621 1.675 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1300449088 MMGOZVKDSOOKCT-VZCXRCSSSA-N 436.472 1.558 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1300496464 RNNYQFDPPWQKIG-SJORKVTESA-N 449.964 1.896 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1300700410 OQXAJUPHJNEVIW-VQTJNVASSA-N 448.637 1.056 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1300830568 HASYJJBHISGLHY-YIYPIFLZSA-N 448.387 1.658 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)Cc2ccccc2)C1 1301553916 ABIBMQBNTADBOJ-RBUKOAKNSA-N 438.532 1.669 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCO[C@@H](C)C1 1301577233 GGXDAGAOJNWQHA-HNNXBMFYSA-N 434.518 1.890 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1301617397 DXRWHTNNYQYFDN-MOPGFXCFSA-N 448.637 1.867 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301809273 ORZPHCVBHXPUDR-PGRDOPGGSA-N 446.552 1.495 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1302393038 BMCHVYQKKNWRPI-UHFFFAOYSA-N 433.520 1.803 30 10 IDEE Cc1cnn(CCn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)c1 1304602134 FWJFZNQKODMVAD-OAHLLOKOSA-N 445.325 1.980 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305680400 KQZOBMQCYFEMAK-SLNYWTKHSA-N 449.515 1.283 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)nn1 1311347530 CGEVHGGKHDJPGS-SFHVURJKSA-N 430.509 1.354 30 10 IDEE N#Cc1ccccc1N1CCCN(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 1313072449 TXHQIPQXBSNLFD-UHFFFAOYSA-N 431.493 1.767 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(S(C)(=O)=O)cc2)cn1 1314898093 FZWQSKYGDOFJBA-KRWDZBQOSA-N 441.517 1.054 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1316356381 MHHVFKGYPJJCPR-CYBMUJFWSA-N 442.904 1.406 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1316505794 YWQNYJDRPFXYPX-INIZCTEOSA-N 447.561 1.882 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1358874900 GBXLAVWVTNHLLO-FVJLSDCUSA-N 441.523 1.744 30 10 IDEE C#CCN(c1nnc(-c2cccc3cccnc23)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358959823 QMJREJCTYGGAQX-QGZVFWFLSA-N 439.541 1.891 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)Cc1ccccc1 1358981855 AIEZOOHRNYECAF-UHFFFAOYSA-N 429.528 1.871 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1359002488 BDDORWMQBKGUOP-HNNXBMFYSA-N 432.431 1.994 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC1 1359018989 HPPSOAAALBJKEA-KRWDZBQOSA-N 446.577 1.669 30 10 IDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359287279 VLQUQQIHNOCPLH-OAHLLOKOSA-N 438.579 1.634 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1359301270 VSVOTJIIQJXNCG-INIZCTEOSA-N 433.534 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C)C1 1359326488 BFTULVHXXVJULS-GJZGRUSLSA-N 434.522 1.140 30 10 IDEE CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359425538 FOWYJIXIILHQDD-ISLYRVAYSA-N 429.525 1.207 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC=CCO1 1360240351 GLGHRSZCDVHXNH-SFHVURJKSA-N 436.520 1.355 30 10 IDEE COC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc2ccccc12 1439291901 WOFKKDZWTCBLHA-FQEVSTJZSA-N 437.477 1.909 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CS1(=O)=O 1452966117 RZRVLQVJDKXNLR-NHYWBVRUSA-N 426.336 1.839 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1453838813 FDDLLKDRAPKXTR-UHFFFAOYSA-N 440.481 1.670 30 10 IDEE CON(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)C(=O)OC(C)(C)C 1454925526 VAAYVYNRIRGURF-STQMWFEESA-N 425.507 1.624 30 10 IDEE Cn1cc([C@@H]2CSCCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1456465930 HTKDDBHTJWPOSH-SFHVURJKSA-N 433.559 1.932 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3nc([C@H](C)OCC)no3)CC2)c1 1459599896 WKOALDBBRXWFLB-INIZCTEOSA-N 440.504 1.614 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 1475696786 APEMQQVZBQEEMC-UHFFFAOYSA-N 440.363 1.734 30 10 IDEE CC[C@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1496132762 DVYVDDAHTJRIML-SFHVURJKSA-N 439.564 1.842 30 10 IDEE CCOC1CC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1502955036 BHYAUPBLMZFSOR-QJVIICBYSA-N 439.520 1.985 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)O)CC1 1503272426 GQMFGTRIJLATGT-UHFFFAOYSA-N 446.577 1.886 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1507631826 GOZPEPJJOGSOGS-SLFFLAALSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1507653879 WJZDDZQEWPQKKU-SFHVURJKSA-N 438.532 1.869 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnnn2C)CC1 1507742079 AMPFNOPYTNZBLG-UHFFFAOYSA-N 448.531 1.020 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507791831 SORBSOJWLAKJFM-WQDJSCAQSA-N 444.580 1.893 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507965847 QRRAJAWTPXEZPG-OAQYLSRUSA-N 429.525 1.763 30 10 IDEE CN(C)C(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516978207 MLMABKCYNDIUFL-OAHLLOKOSA-N 429.475 1.412 30 10 IDEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCN(C)C)cc1 1518161086 GMCFDXSROOFILX-HXUWFJFHSA-N 439.564 1.708 30 10 IDEE COCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1518802515 AWOHTTOMWJMEDB-ROUUACIJSA-N 431.518 1.104 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2c2cccc(Br)c2)C1=O 1528931129 IKZMNMASQOTXLU-CQSZACIVSA-N 436.262 1.326 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)nc1 1531785861 IVYMTMZEDCQXBT-KGLIPLIRSA-N 426.395 1.947 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)C3(C#N)CCSCC3)cc2)CC1 1538134520 WGYSMZFXEDTHQI-UHFFFAOYSA-N 437.543 1.346 30 10 IDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCc2nc(C#N)cs2)C1=O 1538522239 LKIPVEZMFGJRLM-KRWDZBQOSA-N 448.302 1.861 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539212727 RWOFPBRBZZJBLX-DENIHFKCSA-N 441.557 1.850 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539963601 YONJXRQZVLSKHN-IBGZPJMESA-N 443.596 1.720 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)n(C)c2=O)C1 1540895687 XJFQAVUKAVOVAO-HXUWFJFHSA-N 437.548 1.976 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1541118620 DONZBMXXQHTKSF-AWEZNQCLSA-N 427.538 1.627 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cs1 1542909029 SAWZHPGRVHLXAS-INIZCTEOSA-N 449.606 1.655 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCn3ccnc3C)CC2)c1C#N 1543001809 DAHDRMWUKTXMSQ-UHFFFAOYSA-N 436.568 1.922 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 1552731449 GYRPJPZTFYXFRS-MRXNPFEDSA-N 447.540 1.415 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)CC1 1554434578 HBBITHBNYBFLSL-JOCHJYFZSA-N 426.521 1.567 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555818794 FXCOVHDWIJPHAF-MSOLQXFVSA-N 446.533 1.128 30 10 IDEE CS(=O)(=O)Nc1cccc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1559032708 FVCYRWKZHIWWNJ-UHFFFAOYSA-N 431.470 1.505 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c1 1568093336 NQSRIEZVIZMTNN-UHFFFAOYSA-N 434.380 1.571 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1569724823 GXWALCPACBAKES-FQEVSTJZSA-N 447.557 1.679 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587632986 QNVVKCDFWSDKDW-SJORKVTESA-N 428.537 1.885 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1588314375 CRPYXCRYAFYEFM-DLBZAZTESA-N 436.516 1.674 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)[C@H](C)CC)CC1 1588930528 YNXCCMVGJPKYAQ-BOCKYXSRSA-N 431.581 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](n2cncn2)C1 1595776490 ATYGWIOFZYSPKQ-SFHVURJKSA-N 427.534 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC=C(Br)C1 1595788654 FQELVJASLFKJAV-CYBMUJFWSA-N 444.355 1.319 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1595804953 JDJPNVVZZBGOTO-AWEZNQCLSA-N 437.472 1.477 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CCO1 1596665571 BCJDNKSKOUCELB-SFHVURJKSA-N 426.502 1.785 30 10 IDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)CCC1 1597950322 GHBMCDJJFIBBFV-OAQYLSRUSA-N 449.529 1.107 30 10 IDEE 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N#C[C@@H](C(=O)C[C@@H]1COC(=O)C1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 766254107 BKULNBCACWFXJR-YOEHRIQHSA-N 433.486 1.462 30 10 IDEE C#CCN(C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774194659 AGUXQQRBUXSFQT-INIZCTEOSA-N 441.575 1.095 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 783541542 HOMSXLDYQDMJLP-UHFFFAOYSA-N 434.967 1.458 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)n1 788613891 PCNNCPBUPLLPGE-UHFFFAOYSA-N 437.497 1.586 30 10 IDEE C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C1=O 790893165 XEELWJAPRBJQAT-AUSIDOKSSA-N 436.516 1.793 30 10 IDEE N#C[C@H]1C(CN2CCCN(S(=O)(=O)C3CC3)CC2)=CC(=O)n2c1nc1ccccc12 801979918 SKFQJRXKTFKLSC-KRWDZBQOSA-N 425.514 1.724 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1C#N 803130726 BSNHMNGGYCXEJZ-KRWDZBQOSA-N 436.512 1.720 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 813563260 SCXDLHUZHSQBLZ-WFASDCNBSA-N 439.969 1.474 30 10 IDEE COc1cccc(C[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)n2nnnc2C)c1 916777887 GJCPYVMKXKQDTK-IBGZPJMESA-N 440.485 1.292 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3n[nH]c(C)c3I)CC2)c1C#N 1141622905 YWCSOJXTTWNXJJ-UHFFFAOYSA-N 442.286 1.922 30 10 IDEE CS(C)(=O)=NCC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1156189128 HUSBEEZBWANXNF-GOSISDBHSA-N 445.545 1.729 30 10 IDEE C=CC1(CC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1175934603 XZYFEQGZJVSLSN-LJQANCHMSA-N 436.597 1.712 30 10 IDEE CCOC(=O)CCCNC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2 1189781168 ZXTUZYAKGWPPOY-UHFFFAOYSA-N 436.512 1.738 30 10 IDEE N#Cc1ccc(C(F)(F)F)n(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)c1=O 1189987032 DYYMWGLSEBTHDF-UHFFFAOYSA-N 434.783 1.678 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCO[C@@H](CC(N)=O)C2)cc1 1196638175 GVAIRLMKHNXBBX-SFHVURJKSA-N 425.489 1.489 30 10 IDEE C#CCCN(CCOC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1213223155 MTLILFRKULEDHW-UHFFFAOYSA-N 428.576 1.830 30 10 IDEE CCS(=O)(=O)N1CCC(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1230462598 DAIRFQHJLDPDBP-UHFFFAOYSA-N 433.578 1.636 30 10 IDEE C#C[C@H](NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1)C1CCOCC1 1253347755 IEKNIJFCTHXWOT-GBESFXJTSA-N 431.537 1.851 30 10 IDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N 1255196250 YMCGVFQZHDTHPZ-IAGOWNOFSA-N 435.550 1.048 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1286348910 QANHFJAVTBVOAJ-UHFFFAOYSA-N 433.534 1.823 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1286388231 ZHKLOGHZAVNIDV-KRWDZBQOSA-N 425.518 1.172 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2)C1 1286788044 OUSGDAFMLKSAFJ-ROUUACIJSA-N 445.545 1.060 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(NC(C)=O)CC1 1286792012 JVLWXWLOTZXKKV-UHFFFAOYSA-N 442.520 1.273 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H](C)C2)C1 1286801371 YCYTVSZYDVZZHA-FGTMMUONSA-N 440.614 1.402 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286834478 HVXIOBYJCWQZEN-OAQYLSRUSA-N 434.610 1.621 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1288249172 OAQWBMLNFDSAPC-OAQYLSRUSA-N 449.559 1.808 30 10 IDEE Cc1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290804130 OQWFLKVGNVHZKQ-IGCQWYOMSA-N 426.452 1.350 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCN(C)Cc1ccncc1 1298845485 CHGSRORVSCMZKX-QGZVFWFLSA-N 429.546 1.601 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 1299166072 FMWYBAYBHUDBJE-UHFFFAOYSA-N 429.296 1.664 30 10 IDEE CCOC(=O)C(C)(C)ONC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1300024773 ORJMYKNTBGMVJV-CQSZACIVSA-N 425.507 1.529 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCOCC1 1300459650 FWYQTVVAZRAPPU-UHFFFAOYSA-N 432.550 1.239 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1300490078 YXFMOPSBHPNVIG-FQEVSTJZSA-N 449.540 1.708 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCS2)CC1 1300689170 RAGIUOQYTBMJHW-GOSISDBHSA-N 445.614 1.999 30 10 IDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1301134899 CCTXLMYXSWSWNN-DYXWJJEUSA-N 447.580 1.899 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COc2ccccc2O1 1301413704 ZYRHFNSBAOWRIF-QGZVFWFLSA-N 427.505 1.993 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301507353 ZWVBHECDGJHYCW-QGZVFWFLSA-N 447.561 1.193 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1301609685 NHASZGINERSTNZ-INIZCTEOSA-N 433.607 1.927 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1303065490 DOKNETZAHAJITI-CYBMUJFWSA-N 429.447 1.674 30 10 IDEE CCCN1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1307034116 GMHFHYSFVNKUHL-INIZCTEOSA-N 437.614 1.750 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN([C@H](C(=O)OC)c3ccc(C#N)cc3)CC2)cc1 1308043543 KWVALIXEYYALOJ-FQEVSTJZSA-N 428.514 1.503 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1312899909 ONIUYEIUEBIFIX-LJQANCHMSA-N 440.525 1.620 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1314576038 FNPXWFFTFBQSQV-HKBQPEDESA-N 442.545 1.308 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1314938210 IJKLSPOIPKQKKR-UHFFFAOYSA-N 427.509 1.908 30 10 IDEE COc1ccc(O[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1315517782 HEZGTNQXUXYRSX-QFBILLFUSA-N 440.504 1.719 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1N1CCOCC1 1359024134 FZIDERRPMLQCQI-FQEVSTJZSA-N 425.533 1.753 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1359060333 RUBJGWFGNGTHCB-QFIPXVFZSA-N 443.621 1.807 30 10 IDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359226993 QNRIERYLRWKATG-UHFFFAOYSA-N 432.569 1.119 30 10 IDEE C=CCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290133 JUGLCPASVBCUFA-IERDGZPVSA-N 432.525 1.271 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1359296982 AKRSTADHGTXODB-SJORKVTESA-N 441.536 1.010 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359301606 DFXHNBNBCIAFDT-RBUKOAKNSA-N 447.486 1.834 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1360112311 CFBHVVLZOWRLLI-QGZVFWFLSA-N 425.537 1.736 30 10 IDEE Cn1cc(Br)c(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 1436309372 JJZCTQZFHLQHKW-UHFFFAOYSA-N 426.296 1.305 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 1441052648 XKSNNMYUZVFBCI-MRXNPFEDSA-N 433.287 1.980 30 10 IDEE C#CCN(CC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OC(C)(C)C 1441632614 RPHKTEJAYIJDNM-UHFFFAOYSA-N 446.529 1.150 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(I)ccc1Br 1450158959 RFJGJHYVCFQACL-SECBINFHSA-N 425.020 1.774 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2cccc(C)c2)s1 1453968001 GXEZMSRAVAJUOA-IBGZPJMESA-N 433.555 1.763 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)cc1 1456987387 BULUVUAJMKMLIM-UHFFFAOYSA-N 449.554 1.985 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC3(CO)CCC3)nnc12 1457904673 OGDHKRDACSQMIH-UHFFFAOYSA-N 427.530 1.991 30 10 IDEE CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1nnc2c(=O)n(C)ccn12 1460755427 BPZRWUWAIZJPBJ-UHFFFAOYSA-N 432.406 1.047 30 10 IDEE COC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C(=O)OC)C1 1466318230 SKPMPBHIXLELGQ-WMZOPIPTSA-N 445.321 1.861 30 10 IDEE COC(=O)c1cc(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)cc(C(=O)OC)c1 1473620080 XBPIOWWIZUEMGQ-IBGZPJMESA-N 425.441 1.735 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@@H]1CCC[C@@H]1C#N 1473707281 IRXMMDVCLMCQCM-TZIWHRDSSA-N 430.574 1.632 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1493168535 FQJLFXQYLBLJHL-HNNXBMFYSA-N 442.545 1.308 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCCCCC1 1507641926 MVDHAARQSOJQMN-QHCPKHFHSA-N 427.549 1.796 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1507647702 GKAVYNULYIMYMM-UHFFFAOYSA-N 431.500 1.133 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCOC)cc2)CC1 1507731562 LTOZQBHOAMOEHI-FQEVSTJZSA-N 425.533 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](SC)C1 1508131800 QEZBJINXOOLSBO-OAHLLOKOSA-N 429.612 1.739 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1508135701 NVPPBHJWPDRSKQ-UHFFFAOYSA-N 445.589 1.859 30 10 IDEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1525235631 JAZAXLMQCUTXIA-LJQANCHMSA-N 427.526 1.724 30 10 IDEE C#Cc1cccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1 1528521249 OQTKLSYLDVGLSM-UHFFFAOYSA-N 443.500 1.590 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C1CCN(C)CC1 1538519669 KELCERAQHFCLRZ-UHFFFAOYSA-N 442.379 1.869 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539044656 GPSQUVXCURAWSS-UHFFFAOYSA-N 437.548 1.645 30 10 IDEE C#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)nc1 1539199059 HLWNLPHKRKDHIU-INIZCTEOSA-N 431.233 1.981 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539221671 RBZNNQADRATCJF-MJGOQNOKSA-N 432.521 1.791 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)CC1 1539446037 OONYOKBLXXMKHI-IRXDYDNUSA-N 427.578 1.349 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C(F)F)N1CCOCC1 1540073576 RUFARWVIBUCIQU-HUUCEWRRSA-N 433.525 1.158 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1540872244 HVORRRPRJDTGMB-SFHVURJKSA-N 446.939 1.166 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1540897196 CTPUGLSFWYNKAO-IAGOWNOFSA-N 438.598 1.034 30 10 IDEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1542667002 MOIKEVOMFYZJMQ-RDJZCZTQSA-N 425.493 1.750 30 10 IDEE CCOC(=O)N1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1 1547794076 KLJBEKSUQYCFTQ-OAQYLSRUSA-N 444.492 1.722 30 10 IDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)CCOC 1548371034 CSDQCZJDSFFFKG-KRWDZBQOSA-N 442.438 1.393 30 10 IDEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1554907439 CHHCMYFNRPRUMV-HOTGVXAUSA-N 426.477 1.218 30 10 IDEE CS(=O)(=O)C1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCCC1 1557389316 DIFZCKXNPWMNHI-UHFFFAOYSA-N 427.530 1.954 30 10 IDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 1558102374 IIMCDELCEXYTDE-UHFFFAOYSA-N 449.529 1.681 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CSC1 1559985916 FHWGXGPKGBFEEG-UHFFFAOYSA-N 427.979 1.224 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)c(Cl)cc2C2CC2)CC1 1563017849 XJGOCWGDLAWDIU-UHFFFAOYSA-N 426.926 1.843 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1587561045 AHVXFHFTNAONRT-JKSUJKDBSA-N 432.550 1.085 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1587852106 QAPWYVPKWYHZKR-ROUUACIJSA-N 448.593 1.473 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 1588791250 PRLZXBBXAVXNOO-UHFFFAOYSA-N 431.544 1.975 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(C)C)CC1 1588885208 SFBFGFFCOALCOC-UHFFFAOYSA-N 444.580 1.543 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1589036903 PYZOYVFUPIABQV-OAHLLOKOSA-N 429.546 1.996 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1589047861 LNGJNJKXZWEAIT-KRWDZBQOSA-N 449.606 1.049 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1593690748 NYAQDYKIJHZSJH-UHFFFAOYSA-N 434.585 1.558 30 10 IDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCOCCS(C)(=O)=O)CC1 1594115491 SKIMAGWPHGRUAJ-UHFFFAOYSA-N 425.580 1.851 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1594962805 NLRQVRLDAJDORP-OAHLLOKOSA-N 438.579 1.615 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1595115377 ICABJJRGCMHKDT-NQIIRXRSSA-N 432.546 1.524 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)[C@H]1CC 1595477659 XDIWZGQKVCHLHL-WMLDXEAASA-N 430.484 1.574 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1595715267 UNSSTPOFIBJCEA-RTBURBONSA-N 438.532 1.717 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1596799445 PDBTZMHFHDKFCG-JLTOFOAXSA-N 430.534 1.423 30 10 IDEE CC(C)(C)c1nnc(N2CCOC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597168401 MCWJOBXEQQRRTI-ZCXUNETKSA-N 444.536 1.488 30 10 IDEE Cc1ccc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)NCC#N 1607724954 CXLLKHNYDKYGMZ-UHFFFAOYSA-N 434.518 1.632 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ncccc1F 1611677016 HMMWSAFISQWXNC-CYBMUJFWSA-N 437.501 1.241 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1616235534 ZOSXHMOMEWXRRM-HRAATJIYSA-N 428.493 1.548 30 10 IDEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)COc1cccc(Br)c1C#N 1617969975 CICXSEMXARQSCG-UHFFFAOYSA-N 438.303 1.972 30 10 IDEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1619708185 AKRYFUDUUKIWAZ-UHFFFAOYSA-N 434.504 1.833 30 10 IDEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCCC2)C1 1622820297 KSCAPHMDRXFXQE-UHFFFAOYSA-N 434.562 1.919 30 10 IDEE C#C[C@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 1627746102 JJKGPYJQHCPZMR-KRWDZBQOSA-N 444.557 1.399 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1629988387 HJJKSKHFVOAYEX-UHFFFAOYSA-N 428.514 1.060 30 10 IDEE CN(C)C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H]1CN(C)C 1632042893 BEDWDWXEJHZSGI-ONWVBSBLSA-N 447.624 1.971 30 10 IDEE Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)c1 1640637059 SKUKWAKGDHMYRL-HNNXBMFYSA-N 436.472 1.456 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@@H](O)C1 1643023770 RQFAROQUWRPGHY-SZMVWBNQSA-N 428.489 1.398 30 10 IDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCc2c(sc(N)c2C#N)C1 1648293835 XPELZXASNHVNPX-UHFFFAOYSA-N 427.530 1.704 30 10 IDEE C[C@@]1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CCO1 1654932784 PKESIZSXXWXDNA-IKXXZMEWSA-N 432.477 1.593 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1681200128 NNHBIGYQGLCPCZ-FTRWYGJKSA-N 440.566 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2OCC[C@H]2C)CC1 1690154694 WUJXWCKQMPLPDV-MDNKFWRPSA-N 445.564 1.393 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1690189937 GWFZZOUHFWLZBL-MGPUTAFESA-N 427.534 1.576 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690451624 LIZGEZPBLKRFIK-NVXWUHKLSA-N 437.570 1.556 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690512010 JVZHFWGOUGVKNB-QGZVFWFLSA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1690723045 FZEPYPIAOXVKRB-UHFFFAOYSA-N 427.534 1.973 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC(F)F 1692539237 YZTWRGMPFVYBCJ-UHFFFAOYSA-N 448.478 1.639 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCOCC1 1692693352 BKIPHDTWTQECKS-APWZRJJASA-N 444.561 1.161 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCCO)CC1 1698486297 JKMFVOIXDIIPQH-QGZVFWFLSA-N 444.511 1.518 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705556461 QOEUDJOSQCJNGS-IBGZPJMESA-N 426.569 1.152 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)c2ccccc2)CC1 1705632398 OQKFORNUKGSYKM-DEOSSOPVSA-N 445.527 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705647630 IZGBWRACOPLGSG-HBFSDRIKSA-N 442.564 1.256 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1705884442 OWGDWPOWOHQNOR-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)NC(C)(C)C 1705899133 IWTALLAJDXZWDF-UHFFFAOYSA-N 428.493 1.327 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccncc2)C[C@H]1O 1711460810 ULOYGUDIGNAADD-WOJBJXKFSA-N 432.484 1.815 30 10 IDEE CS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712700344 HKQBWZYGIDUOGE-UHFFFAOYSA-N 432.525 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1722362245 SIDOPPXHOPHNSS-HNNXBMFYSA-N 430.921 1.997 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1722372173 QQODYELQVVVYIN-SFHVURJKSA-N 431.566 1.319 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722393893 KBUFCACLNRZGPT-UHFFFAOYSA-N 443.511 1.713 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCC(C)C)CC1 1722437208 ANMGUEWJGQRHJZ-UHFFFAOYSA-N 428.537 1.824 30 10 IDEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722604641 HISKFKVVEABKJV-UHFFFAOYSA-N 432.569 1.340 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722702789 REVGYCXEEXEKRW-HZPDHXFCSA-N 443.577 1.245 30 10 IDEE CC(C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1723418555 KFAHPZMRVUWQLK-HTXNQAPBSA-N 438.492 1.544 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccoc2)n1CCN/C(O)=C1/N=CC=CC1=O 1723564419 DHKKNAVAFDZINR-VLGSPTGOSA-N 427.465 1.172 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nnc(CC)s1 1729034140 RMWFJKCGSGDADS-UHFFFAOYSA-N 426.506 1.812 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1729170218 YLTFKSZJKNPNNX-UHFFFAOYSA-N 434.548 1.951 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N(CCC#N)CC3CC3)n2CC2CCCC2)C1 1731012047 APHVPGHPULKBLU-SFHVURJKSA-N 436.582 1.931 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1740551367 TYFRFEIMEMUJQF-LPHOPBHVSA-N 425.489 1.497 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2OC)CC1 1740580684 GCIXDRQUHAJKBK-QGZVFWFLSA-N 446.577 1.637 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740616141 UFQZYSVZLSFKIW-GOEBONIOSA-N 441.623 1.575 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740626669 YGPAVBCCLAAMIB-GOSISDBHSA-N 444.557 1.441 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1740629146 CHDKYVNKRMGGQX-UHFFFAOYSA-N 440.529 1.356 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 1740689290 ABTGASBCDCFJRY-UHFFFAOYSA-N 436.607 1.505 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740865411 UCXPCVDOWBBFPV-NQIIRXRSSA-N 437.610 1.838 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1741727537 LBXOGMZDLNNTII-FGZHOGPDSA-N 430.553 1.975 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnccc2OC)CCO1 1748209464 FHXQMWJKPRWDCM-IBGZPJMESA-N 433.472 1.220 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1748648002 WJGCEKDGJSSGHQ-SPLOXXLWSA-N 443.577 1.483 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1748868051 QFOLYEMQYVVSQV-REWPJTCUSA-N 429.565 1.502 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1749065792 BKSSRRBGXHCQRK-MGPUTAFESA-N 433.509 1.785 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1749158343 HLJPMRNNKVXXTJ-SFHVURJKSA-N 434.566 1.651 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CC(N)=O)C1 1749227027 YAQSSNVCHXCRNK-HNNXBMFYSA-N 430.509 1.690 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1749655199 DYMCMJDZSFKAEG-UHFFFAOYSA-N 440.548 1.997 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1749729704 OTLOHDKUKPVJBO-QGZVFWFLSA-N 448.593 1.770 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(Cl)cn2)CCO1 1750386288 DUDCBXLKUWVRNV-AWEZNQCLSA-N 427.856 1.204 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1750389921 RJIKVQCKUCWDND-MSOLQXFVSA-N 437.566 1.506 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1750485055 IAIOJPWQANONDD-QGZVFWFLSA-N 444.561 1.745 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750517443 PJKPZPGYACMEIJ-UHFFFAOYSA-N 443.577 1.962 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CC1 1760101603 SWVPBVKFKPVNHN-NGFNCXNUSA-N 448.618 1.916 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1760153135 IMSFGXBFFDILIH-HXUWFJFHSA-N 434.544 1.842 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1760174000 CCNGHUKTPURNOH-SFTDATJTSA-N 441.601 1.814 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1760174013 CGDAMRKQUHGYLC-LSDHHAIUSA-N 431.509 1.506 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC=CCC1 1760174575 MBNBBKFOYLIRAV-GOSISDBHSA-N 430.553 1.918 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1760180821 LOVQDPABMQENTO-MRXNPFEDSA-N 434.518 1.287 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1760187679 LIDNWGFCLSBDJK-AEFFLSMTSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC 1760200405 GZHMOJROCNCQFR-UHFFFAOYSA-N 441.561 1.083 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760265296 VWUIIGBNRFZLNN-SFHVURJKSA-N 428.581 1.800 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760451107 ZWSGBFNUAJCENZ-WOJBJXKFSA-N 446.596 1.855 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCc1cccs1 1760522185 NHRDVNNCOWQMNY-OAHLLOKOSA-N 437.591 1.613 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2CCS(=O)(=O)CC2)C1 1760546695 UIZBOLHQQBRYIZ-IBGZPJMESA-N 431.562 1.870 30 10 IDEE CC(C)Cc1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761031025 DIMAZEVDVXFMMD-MRCUWXFGSA-N 429.569 1.924 30 10 IDEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1761312535 WUPDPCVBAPAZPP-UHFFFAOYSA-N 439.564 1.842 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnnn1C 1761363011 BBBISDKYIUWRKV-LJQANCHMSA-N 448.579 1.558 30 10 IDEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1762189036 YNVVBRQETWPTCL-UHFFFAOYSA-N 427.530 1.913 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1766878137 UEPDXQUSBFAIDU-QGZVFWFLSA-N 434.504 1.544 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2C)C[C@H]1O 1769451555 DYZPNPIYYGIHED-HUYLIWGRSA-N 439.516 1.850 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1769882204 QYVKOQOQHQWDAB-XOBRGWDASA-N 430.896 1.814 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC(F)F)CCO1 1770748813 RWJLPCOOAPHVGS-LBPRGKRZSA-N 431.403 1.952 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1772567030 TYLXJTZITPGYLK-ZHRRBRCNSA-N 429.496 1.711 30 10 IDEE N#CC1CCN(C(=O)C2CCN(CC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1848943513 LGVFUSODOZYTPC-UHFFFAOYSA-N 436.512 1.716 30 10 IDEE CN(C)C(=O)CCc1ccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1851772286 LXXUGRCKPXNPKU-UHFFFAOYSA-N 435.528 1.953 30 10 IDEE Cc1cccc(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1852528642 RBDGDRIKFBTTNH-FQEVSTJZSA-N 433.512 1.980 30 10 IDEE C=CCNCc1c(Cl)n[nH]c1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1853435462 RYVZNWYSPZRKQM-UHFFFAOYSA-N 441.916 1.625 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2OCCc3ccccc32)C(=O)C12CCCCC2 1854427162 KHOHPVPPPVAKCZ-SFHVURJKSA-N 431.514 1.527 30 10 IDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CCC2=O)ccn1 1855716131 XZFLUIBFIBVGGY-INIZCTEOSA-N 430.530 1.233 30 10 IDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@@H]2COc3ccccc3C2)c2ccccc21 1856927886 PNQNSSKQSSIWGK-INIZCTEOSA-N 425.466 1.861 30 10 IDEE CCOC(=O)CN(C)C(=O)C(C)(C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868794811 GQPUVRITOXHSLB-MRXNPFEDSA-N 434.562 1.941 30 10 IDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3CCN(CC)CC3)ncnc21 1873561832 AUCOENPAPHDYFY-UHFFFAOYSA-N 440.548 1.738 30 10 IDEE C=CCn1c(C(=O)NCCCOC)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873594408 SJXMTNYHJVAODW-UHFFFAOYSA-N 436.520 1.500 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC(=O)NCc2ccco2)[C@H]1c1ccc(C#N)cc1 1892262140 RXSQSMULHYFXCX-NHCUHLMSSA-N 440.525 1.977 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085656146 FTSXASHJDFBEBK-OAHLLOKOSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2136172794 PFERRGNOPRJFLD-BFHYXJOUSA-N 426.267 1.600 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1CC#N 2225637973 VANYVSOPXHABCH-PXAZEXFGSA-N 429.420 1.964 30 10 IDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2243412775 SNVIGUZQFYXRKW-UHFFFAOYSA-N 444.384 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248416020 KNLLVTGYFKQLQQ-NEPJUHHUSA-N 436.343 1.667 30 10 IDEE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248444432 AHXQCGWXRZFLJY-QWRGUYRKSA-N 442.347 1.126 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255539043 UDHFARQUGJBQFF-GOSISDBHSA-N 427.232 1.664 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@H]2COCCN2Cc2ccccc2)OC1(C)C 2255598659 XYYIDJKWVHGEMW-KRWDZBQOSA-N 426.326 1.340 30 10 IDEE CC1(C)OB(c2scnc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255645948 SIVBSVBQBYIQIK-QGZVFWFLSA-N 442.394 1.646 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)ns2)OC1(C)C 2255833969 CIDAAJYAMWIYRX-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE CN(CCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2255934171 YKGCSDVHMUNZBQ-UHFFFAOYSA-N 448.398 1.520 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256018455 ZBAZHFXSFQRRPJ-CQSZACIVSA-N 436.314 1.307 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256018914 SZKAMSNYONPARQ-KGLIPLIRSA-N 434.298 1.792 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256667104 YKBRJQBEPRPCOF-UGUYLWEFSA-N 438.330 1.164 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@H]3[C@H]2CCN3C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267182540 HKXIGNZANOPDEJ-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE CN([C@H](CC#N)C(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270537947 RZJRUGJXENLGHJ-CHWSQXEVSA-N 437.396 1.472 30 10 IDEE Cc1nc(N(C)C)sc1C=Nn1c(SCC(=O)NC2CCCC2)nnc(C)c1=O 2321655207 OVZUMROPPVWWOG-UHFFFAOYSA-N 435.579 1.811 30 10 IDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cn1 20827741 OYEMIJDQPHVCPE-FBCYGCLPSA-N 444.481 1.854 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)cn1 59914150 LRTJQLZYCYSZJX-YVJZOELXSA-N 443.537 1.250 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 61077788 QEJWZRBXYZTFGJ-UHFFFAOYSA-N 430.383 1.596 30 10 IDEE CN(C)c1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 96350491 VHRLMEYKQGKOKE-UHFFFAOYSA-N 427.526 1.555 30 10 IDEE Cc1ccsc1[C@@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N 101442912 FXZUNWZCVPSYBA-OLZOCXBDSA-N 427.486 1.707 30 10 IDEE COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 254843132 ACJVMERVPWWROC-KMFMINBZSA-N 440.543 1.480 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 462429904 SJMIRGXUTYWZIS-UHFFFAOYSA-N 439.537 1.667 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 466040864 JVRWPEPFLCJFBT-LJQANCHMSA-N 434.500 1.465 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)CC1 468879862 GDVCCTZZKCEWHX-HNNXBMFYSA-N 445.969 1.362 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN([C@H](C(=O)O)c4ccccc4)C3=O)cc2C1=O 473706417 PCZGEDWXXUZFEA-OALUTQOASA-N 447.447 1.625 30 10 IDEE CN(CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccnc1 479306161 JQNXXZSYQZYDJN-UHFFFAOYSA-N 427.530 1.377 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 485912817 JWABQUZKCFCIEH-QUCCMNQESA-N 437.562 1.861 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ccc1F 495256468 NBMLSHUQLFRFDG-INIZCTEOSA-N 446.508 1.271 30 10 IDEE COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(C(=O)CC#N)CC2)CC1 503624786 AMTIZXZEAOQWFT-UHFFFAOYSA-N 432.908 1.785 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)Cn2c(O)nc3ccccc3c2=O)CC1 513411778 YFAZCNCBQOFZBK-UHFFFAOYSA-N 440.463 1.871 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1C 513786543 IWQAPWXZOZLUGU-UHFFFAOYSA-N 447.582 1.955 30 10 IDEE CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 521468910 OYPMPEBAGTYZQQ-UHFFFAOYSA-N 437.548 1.454 30 10 IDEE CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 533297459 NOGNPEZPPCIDGV-INIZCTEOSA-N 441.557 1.790 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCn3c(nnc3-c3cccnc3)C2)CC1 537249132 NBELQSIGFPTBBE-SFHVURJKSA-N 448.556 1.626 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C 603799367 MSSDZFPJGMOJBG-UHFFFAOYSA-N 448.548 1.648 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 610596524 GWIOYZYLPAHILK-QKKBWIMNSA-N 428.468 1.249 30 10 IDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 679503358 NEAOTVFAIWATHI-UHFFFAOYSA-N 432.340 1.668 30 10 IDEE CCc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccoc2)c1=O 727416161 IENFTDOUGFUSJW-UHFFFAOYSA-N 435.505 1.416 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)OCC)c1 742395237 SCMOBKISZVGHTO-IBGZPJMESA-N 428.510 1.750 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)ccc2c1=O 747437426 RSNNIZJUHGDIEQ-INIZCTEOSA-N 428.514 1.381 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2ccc(N3CCCCC3)cc2)C1 749789719 AYTUDFOHEVHWTB-NRFANRHFSA-N 431.581 1.787 30 10 IDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755186289 QSSQOKLOTSJASR-GXZWQRSESA-N 438.525 1.488 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN4C(=O)OCC[C@@H]4C3)nc12 763315439 SXOJVWDCKQZTNF-CQSZACIVSA-N 426.502 1.850 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cc[nH]n1 772303807 RBYFCINTLHWQFL-LIRRHRJNSA-N 433.534 1.954 30 10 IDEE C#CCn1c(=C(C#N)C#N)sc(=Cc2nc3ccc(Br)cc3s2)c1=O 772328769 HKIUTGHTDOVWLN-UHFFFAOYSA-N 427.308 1.942 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCOC 794581288 GPHKOGDBKGUVSL-UHFFFAOYSA-N 431.533 1.677 30 10 IDEE COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)N(C)CCC#N 805144318 ZHKJYFMHOPEWQH-HOCLYGCPSA-N 448.467 1.969 30 10 IDEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cnn(C)n1)c1cccs1 807940133 DNMKBKPOKXUMPT-QRABNDKPSA-N 449.606 1.506 30 10 IDEE C=C(Br)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 921042416 BTKQGWNWPWMEME-CQSZACIVSA-N 433.324 1.741 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)cn1 1083942089 ZSJOHVXKSSIDQL-UHFFFAOYSA-N 442.465 1.459 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCS2(=O)=O)c1 1125175568 FWDAKOOKPGWOBG-BWGFTNSASA-N 427.548 1.795 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1144028530 STGDULGWFHVDNT-UHFFFAOYSA-N 430.512 1.463 30 10 IDEE CS(=O)(=O)c1ccc(OCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1144417903 MHGGDCDKANBRJK-UHFFFAOYSA-N 440.474 1.335 30 10 IDEE N#Cc1ccc(CCN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 1192031195 GEBQLXHLZPMEJH-UHFFFAOYSA-N 441.557 1.339 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1196971917 FAGGPBBIAAVWJC-OALUTQOASA-N 448.589 1.525 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(COCCO)CC2)n(Cc2ccco2)c1C 1197921457 UCGKMIMLSVIOLC-UHFFFAOYSA-N 430.505 1.392 30 10 IDEE COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198337523 UFOZAMJNEKIJNX-DYZYQPBXSA-N 446.312 1.589 30 10 IDEE C#CCN1CCC(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1213773408 OOEIMZYLRRODIF-VQTJNVASSA-N 435.546 1.039 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 1223423033 LQSZHTGFAJNWPF-ZDUSSCGKSA-N 429.340 1.305 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 1254331701 KDARKEUBWWPIJA-INIZCTEOSA-N 443.552 1.374 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286361912 UZJDOBJYLPYFBT-IERDGZPVSA-N 448.545 1.436 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286394918 XZYXYYQYGNMBAX-HXUWFJFHSA-N 438.557 1.472 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1286395607 SBBWBISLCQPCRF-MKXGPGLRSA-N 438.594 1.860 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1286395865 ORZRSDXLMHOUGE-MSOLQXFVSA-N 434.566 1.191 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1286446433 FZBFQMMFSSPLGZ-GOSISDBHSA-N 432.546 1.713 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1nnn(C)n1 1286461036 UPCRKWBMMLLJEI-UHFFFAOYSA-N 431.298 1.365 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286508930 YVAPFOBQMVHZRH-UHFFFAOYSA-N 441.605 1.277 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286567990 UESKRPZGYIVXGB-WOSNLTMFSA-N 433.553 1.613 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCNC(=O)C1CCC1 1286628290 DWGWOMXLXRGKOX-HNNXBMFYSA-N 429.974 1.675 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286792258 SCGACSZWJZRXJW-QGZVFWFLSA-N 442.520 1.273 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286817432 VGECNUXBLPQGEU-SFHVURJKSA-N 444.561 1.322 30 10 IDEE CC(C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1288202651 ZBRMQTMCOMGQMQ-OAHLLOKOSA-N 439.520 1.622 30 10 IDEE N#Cc1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)cn1 1289462707 IELNMXBWOUGEJR-KRWDZBQOSA-N 446.248 1.800 30 10 IDEE Cc1ccccc1-c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290114396 XYJJYUUGSWUTOU-LQAKIXKWSA-N 449.515 1.482 30 10 IDEE NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1290504714 KOYRQSDDYQQIKU-QGZVFWFLSA-N 435.377 1.986 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1290975772 FERGATWFBJJGEQ-MRXNPFEDSA-N 430.516 1.993 30 10 IDEE CC[C@H](C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291772249 MZMIOLBQHZEDMT-KSSFIOAISA-N 438.536 1.494 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)c2noc(CN(C)C)n2)s1 1292542836 ADVJPUSWFGORIN-UHFFFAOYSA-N 427.552 1.251 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300394872 YERPZAUQNQOVAG-GOSISDBHSA-N 433.520 1.639 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1=O 1300398565 GRAVIHUEFAERFD-MBSDFSHPSA-N 436.468 1.526 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1300487637 KMOUNDWOIQUKSL-SFHVURJKSA-N 425.518 1.172 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1300504930 WGUFPEMYDFNLQE-KRWDZBQOSA-N 430.530 1.902 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300755502 UUBYQTBYVOWOIO-KRWDZBQOSA-N 429.594 1.735 30 10 IDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1300756827 URIFGJBJPXYYRU-UHFFFAOYSA-N 439.545 1.131 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C(C)(C)C 1300898682 ZNXFAKSYYGIORS-AZUAARDMSA-N 448.612 1.441 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CCCOC1 1301509696 MDTJRKHVSYIISW-HNNXBMFYSA-N 432.550 1.435 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(OCC)CCOC1 1301534686 DKCVEAWNPZDGGP-JOCHJYFZSA-N 427.505 1.480 30 10 IDEE CC(C)CC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1303007875 AJAJVOLCBCLHJU-VFNWGFHPSA-N 430.509 1.922 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1)N1CCOCC1 1303697925 AVBJQBVVLWVBPA-LJQANCHMSA-N 439.564 1.306 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1303901587 WXLFUYMNMNZKAW-PBHICJAKSA-N 445.549 1.074 30 10 IDEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1303913359 BGCVTQHVJHEVNG-KLHJMIIUSA-N 446.939 1.867 30 10 IDEE C=CC[C@H](C(=O)OC)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1307841272 BCSPICQXMMQNFU-OKZBNKHCSA-N 436.553 1.972 30 10 IDEE COC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@@H]1C(=O)OC 1308154378 WCWFHKAPXCMWHI-ROUUACIJSA-N 430.505 1.924 30 10 IDEE C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)NC)CC1)c1ccc(Br)cc1 1312936466 IMZBEQCRAKIVBQ-HNNXBMFYSA-N 429.340 1.351 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)[C@H]2C1 1313251815 QLZUQHPIEYVZKA-NNZMDNLPSA-N 426.521 1.898 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1313292881 UYIDIVHQEGGRLJ-MOPGFXCFSA-N 447.580 1.337 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)COC 1316183398 DXXQVAYRZDYKLK-LSDHHAIUSA-N 430.509 1.820 30 10 IDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1320159130 DTECSKQUTQJOSQ-LLVKDONJSA-N 430.324 1.605 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1358879845 ZJGSNNAZJSISBS-MRXNPFEDSA-N 444.586 1.653 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358961175 SMWCBTQEVUTJME-ZWKOTPCHSA-N 432.594 1.641 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1359030836 HRSOAAPVUWALBP-QPPBQGQZSA-N 444.624 1.806 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359047985 ALAPXHONJLDFAP-SFHVURJKSA-N 446.621 1.570 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1359057154 UCEYOXSAWGCCSX-INIZCTEOSA-N 427.596 1.214 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1359240536 QUSSXRWCZMYZMW-SFHVURJKSA-N 433.534 1.312 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359291532 USSVUGAXBNETMN-HOTGVXAUSA-N 426.525 1.147 30 10 IDEE C=CCNC(=O)Cn1c(N2CC=C(C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 1359305443 CVIDNHIPNDZKDO-SFHVURJKSA-N 429.443 1.931 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC)C(=O)OC 1448491819 BMXLMWFDONBHQS-GQIGUUNPSA-N 429.473 1.819 30 10 IDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c1 1449500775 HIIUWMPIRPPDSX-IBGZPJMESA-N 428.514 1.925 30 10 IDEE CN(CCC#N)C(=O)CCN1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1473743506 GKADBKNDMGPVIA-ZACQAIPSSA-N 435.525 1.263 30 10 IDEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCOCCS(C)(=O)=O 1492815040 JERYDISKIGLZKJ-UHFFFAOYSA-N 433.534 1.567 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1503431501 GVANJTXIZBHHID-GOSISDBHSA-N 445.545 1.779 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1505041455 WJESKQHUWYKEGA-VQTJNVASSA-N 438.532 1.975 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C(C)C 1507522005 SVWZDGALAWEBKN-MRXNPFEDSA-N 431.562 1.969 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507628190 VMSLPOFLNWGKSU-FCEWJHQRSA-N 442.607 1.308 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1507662256 HHYOGIIGIMQKRW-UHFFFAOYSA-N 441.557 1.680 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507724378 OFMJYDHNFIACQF-NRFANRHFSA-N 436.608 1.045 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[C@H]2COCCO2)CC1 1507726623 JLKFUABINUQUME-NRFANRHFSA-N 425.533 1.726 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 1507728557 ZPQRZCVVAZWPAL-KNQAVFIVSA-N 442.608 1.997 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1507916509 RQXJWHGEKFSLKL-KRWDZBQOSA-N 425.599 1.551 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1508078199 WZOHPLBPBBNTQK-HXUWFJFHSA-N 446.515 1.529 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1508092561 RHDOVYOZVONDIY-SJLPKXTDSA-N 432.569 1.461 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2C[C@H]1CO2 1508135048 DJYHCCLLJYGNPM-RDJZCZTQSA-N 448.545 1.931 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(F)cc(C)c2C1 1508141022 KYFBMSKZFUFQJW-GOSISDBHSA-N 447.536 1.840 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1515917749 SSENQRBLBZHIMD-APFMSCDFSA-N 439.520 1.903 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(Cn3ccccc3=O)o2)c1 1518826729 NCYPVULUTLYVFA-UHFFFAOYSA-N 445.475 1.977 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1519508954 HXXWWMGIQIQVHQ-SFHVURJKSA-N 445.545 1.636 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 1523933036 IXZAJWRKIJAUAC-SJORKVTESA-N 428.489 1.513 30 10 IDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(CCC(F)(F)F)CC1 1528759440 CFHNOTNGIIVUPI-UHFFFAOYSA-N 432.468 1.600 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(Br)c(C#N)n2)[C@H]1c1ccnn1C 1529892747 NUAFSFQHSBPFGN-CVEARBPZSA-N 433.266 1.376 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(C(=O)OC(C)(C)C)ccc32)C1=O 1531555675 LUVNQHZLRKFLLO-UHFFFAOYSA-N 427.457 1.898 30 10 IDEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)C1 1533968368 PIJLHSHHMHFXKY-QGZVFWFLSA-N 445.564 1.972 30 10 IDEE C#CCN(C(=O)[C@H](NC(C)=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1537469385 QPSPYPDMPRIYFA-HZPDHXFCSA-N 427.320 1.275 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1539211640 MXVZNEKCQXVSPS-QGZVFWFLSA-N 433.578 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1539323905 LSLOQFVJEMNZIG-FQEVSTJZSA-N 426.542 1.838 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccc(F)cn2)n1 1539424893 XUDKHLBSVKNVSL-KRWDZBQOSA-N 439.495 1.847 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539434242 FCJFWQBQPXPAEU-RBUKOAKNSA-N 447.486 1.842 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cn4cc(F)ccc4n3)CC2)cc1 1540728855 YKPIZNHINRMYNZ-UHFFFAOYSA-N 427.461 1.421 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1541704690 DOVULKWIZJPICB-UHFFFAOYSA-N 434.504 1.500 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)CC1 1544859771 OWYWTNSWWBOJJZ-UHFFFAOYSA-N 442.516 1.722 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1547193118 IVYNOPIKSWEZFU-KZNAEPCWSA-N 436.582 1.173 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOCc2ccccc2)CCOC1 1547919423 NWZYADSGNDPQER-DENIHFKCSA-N 427.505 1.876 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1548335263 OZHYHEPOAOWAEB-HOTGVXAUSA-N 432.550 1.760 30 10 IDEE COC[C@H](F)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1555274715 HVLAEDMEVJOPTP-UZLBHIALSA-N 432.479 1.879 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCCCO)cc1 1555991645 YGNNOARZXUPMAE-QUCCMNQESA-N 438.532 1.854 30 10 IDEE CN(CCN(C)C(=O)c1ncc(C#N)cc1Cl)CCN1C(=O)c2ccccc2C1=O 1556855035 OFEQTWAXXWPPTN-UHFFFAOYSA-N 425.876 1.907 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1556977284 JEPANCBJPZUCIX-CQSZACIVSA-N 438.978 1.409 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1558124405 OTYDDQPBVVFAHI-KRWDZBQOSA-N 441.557 1.293 30 10 IDEE C#CCN(C(=O)CSc1nnc(CCC)n1N)C1CCN(C(=O)OC(C)(C)C)CC1 1558370763 SYABWCTTYOAALQ-UHFFFAOYSA-N 436.582 1.898 30 10 IDEE C#CCO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1584045020 FHTSYKWTMDMHIE-AWEZNQCLSA-N 425.507 1.466 30 10 IDEE C#CCN(CC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC(C)(C)C 1585942557 JCRLEDRPFUZYGT-UHFFFAOYSA-N 441.472 1.535 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1587656553 JMFZUTXDRPNBRP-KRWDZBQOSA-N 431.562 1.565 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2COCCO2)c1 1587692680 IFMCTZVOHDLSGK-UYAOXDASSA-N 439.516 1.644 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1587804039 RZWMCJIGKGDBAN-INIZCTEOSA-N 445.549 1.104 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC(N)=O 1587813187 HVUPACUOUUMLNN-CQSZACIVSA-N 431.566 1.660 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588024664 IVSZWSAPMNTRLR-FGTMMUONSA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588053917 IVPWMJHVMXUCDN-OAGGEKHMSA-N 435.575 1.669 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1588174591 XUTDXJTXBHIMEC-UHFFFAOYSA-N 447.948 1.369 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1588646665 LOJZBJLASDIFKZ-SFHVURJKSA-N 446.573 1.542 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccc(C)cc2)CC1 1588864959 NEZGHTMDVBLEMM-UHFFFAOYSA-N 436.560 1.933 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1594454924 JNFLHKSJTIEEEL-CVEARBPZSA-N 438.598 1.692 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1c1cnn(C)c1 1595998642 DTBDNPJZNRVOKD-YPAWHYETSA-N 445.479 2.000 30 10 IDEE CN(C)[C@H](CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1597436030 DYBBMUKAOXYVOI-HUUCEWRRSA-N 425.411 1.762 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC(C)C)CC1 1610043443 CRFCUTZODTYOOV-UHFFFAOYSA-N 439.564 1.888 30 10 IDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1615535697 LHIXWTKOBAJQSR-OAHLLOKOSA-N 427.489 1.346 30 10 IDEE CCOCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1616748569 IWEDGFYKOGOKTH-QZTJIDSGSA-N 436.582 1.759 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1618837850 DDUHHCGUJHRANE-OXJNMPFZSA-N 448.524 1.570 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@H](C)O1 1619753346 BOXAWEXOUAAKTC-QFBILLFUSA-N 442.520 1.493 30 10 IDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1619809728 OTBCLKFTKHLRSH-RTBURBONSA-N 427.505 1.994 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)CC1 1620578425 PVZYIAWXGGUTGX-WMZHIEFXSA-N 449.596 1.391 30 10 IDEE COCCN(CCOC)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1623601273 GOKFOZFIYVJWDV-UHFFFAOYSA-N 441.525 1.322 30 10 IDEE N#Cc1cn(CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(=O)nc1O 1630281061 VZKYVIFVNHHXIM-CQSZACIVSA-N 433.415 1.597 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)CC1 1633490357 SVFKONCJVQRUAM-HXUWFJFHSA-N 444.561 1.036 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1OC 1634782213 GFVHJYJTOKMDNO-GXVATQTDSA-N 434.558 1.995 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)nn1 1636330751 LEMRWAYXUYCCNA-MRXNPFEDSA-N 448.524 1.596 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C1CSC1 1641189233 XSYVTGHTFJBLRL-MRXNPFEDSA-N 449.598 1.647 30 10 IDEE N#Cc1cnn2c(O)cc(CN3CCN(Cc4ccc(Br)cc4)C(=O)C3)nc12 1654474908 MKWYKXVWPSFTCA-UHFFFAOYSA-N 441.289 1.913 30 10 IDEE CN(C)C[C@]1(O)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1659181367 LXGNDTFTCPDNOJ-HOYKHHGWSA-N 443.592 1.745 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)C)nn2Cc2ccccc2)CC1 1673201149 WCMCJDNEWFDUAS-UHFFFAOYSA-N 444.561 1.672 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)Cc2ccccc2C(F)(F)F)CC1 1679705558 CGIPJYPRFSBMSG-INIZCTEOSA-N 446.495 1.821 30 10 IDEE CS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 1682535182 FLGMUPXEQOWGDV-UHFFFAOYSA-N 429.502 1.859 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1689987730 BKHKBFPEHHWLLJ-OALUTQOASA-N 442.589 1.617 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1689992692 NVDNTEOMTKSRER-OALUTQOASA-N 435.594 1.362 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689994504 ZNBNYDUSALWPTF-QGZVFWFLSA-N 446.558 1.605 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1690013532 SIMPXIQLJPRROD-UHFFFAOYSA-N 444.586 1.100 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1690032725 HULZUFPRBJAEPD-OAHLLOKOSA-N 433.509 1.547 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC1CC1 1690072540 LIKXSGCKLGFEDV-UHFFFAOYSA-N 429.550 1.224 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1690077085 IHCJPWWAZBARNO-SJORKVTESA-N 432.550 1.040 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1690077888 YVFXPMVVGHPULM-LJQANCHMSA-N 447.561 1.436 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCNC(=O)c2cccc(O)c2)CC1 1690120107 GXFCMQIRMMBXNC-UHFFFAOYSA-N 447.543 1.565 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCSC2)CC1 1690154155 JKNFQJDEICPXJV-WDSOQIARSA-N 447.605 1.721 30 10 IDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1690340005 BZCUTOSECISMMA-OAHLLOKOSA-N 442.973 1.903 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1690597235 NCOUCWLVAAGMJJ-SFHVURJKSA-N 435.525 1.977 30 10 IDEE CNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697005667 CWVIJXKOPWWXDI-UHFFFAOYSA-N 436.545 1.660 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1698295695 MDLGVJXKXXBBEH-RBUKOAKNSA-N 445.545 1.636 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705565303 GQYZVFKXGAOWPG-GOSISDBHSA-N 433.582 1.036 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1705567088 UAHWFJNVBVFNHF-HNNXBMFYSA-N 428.543 1.780 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1705598747 PVMXOVNSSKYUKV-PGRDOPGGSA-N 444.557 1.761 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C)CCOCC2)CC1 1705634567 BOHYLLKZORYDCL-HSZRJFAPSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(NC(C)=O)c2)CC1 1705634643 FARNRZPXZBKFEL-SFHVURJKSA-N 440.548 1.764 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2CC)CC1 1705635269 VJCWOQZQYLEXMM-NFBKMPQASA-N 430.597 1.558 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C/C=C\c2ccccc2)CC1 1705639351 MEDFRNKDHROZJT-QKWWCAPFSA-N 425.558 1.649 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CCOCC2)CC1 1705769069 ICTDAWHSQWIZPB-GOSISDBHSA-N 439.582 1.584 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705791966 JLYUMXIZRAOHEV-CABCVRRESA-N 430.596 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705937048 GWZOMJHILJMMKU-SFHVURJKSA-N 446.577 1.217 30 10 IDEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1706488020 PMDBUEFYDZSCHF-KRWDZBQOSA-N 425.493 1.809 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@](C)(O)c1ccccc1 1706866792 ALURSBNSIJFBHM-IIBYNOLFSA-N 446.577 1.926 30 10 IDEE CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1710797334 XMYRPFRYSRNGOP-GOSISDBHSA-N 438.536 1.639 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1722366546 RTMYKWIJYQJRBI-HNNXBMFYSA-N 438.500 1.810 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722526288 UCGXUMPOPXCYJJ-JYJNAYRXSA-N 430.513 1.110 30 10 IDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722614255 HSBKRFWCNCGORC-HXUWFJFHSA-N 440.596 1.933 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nccs2)C1 1722727556 JIGXVBKBMWPBSK-CABCVRRESA-N 439.563 1.417 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)cc1 1724437562 FFKHTFPEVMLOBW-PZJWPPBQSA-N 440.548 1.863 30 10 IDEE CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1729825997 GPBAABBDEYZGQM-GOSISDBHSA-N 437.548 1.743 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1730401147 FMCFEPYULBNIKA-RTWAWAEBSA-N 438.532 1.927 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1730841860 OEFRFDITPUBVHO-LZQZEXGQSA-N 426.562 1.881 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)CC 1740602151 QHTOEFFDFIZMHO-UHFFFAOYSA-N 429.344 1.055 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740624554 IBXCVUHVKSGNRX-MOPGFXCFSA-N 429.546 1.316 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(C)=O 1740638512 LWBQUOKIVPMDMV-UHFFFAOYSA-N 445.527 1.664 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1740645060 DTWREIUDMLDHAC-INIZCTEOSA-N 435.550 1.468 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C(C)C)N1CCOCC1 1740659163 VGFBJTWDWFIPFS-QFIPXVFZSA-N 437.592 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOCC)CC2)CC1 1740705242 DZRFSXXUWSXQAH-GOSISDBHSA-N 442.564 1.402 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740720300 ZZOXWXNQAKSWLM-UHFFFAOYSA-N 444.580 1.585 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1740932148 IAFBSBJETNRVDQ-GOSISDBHSA-N 429.546 1.767 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740951485 GYHPPXBFEWXVIL-HOCLYGCPSA-N 444.467 1.500 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CCOc2ccccc2)CC1 1740958705 GFTPCXLHYDNSME-UHFFFAOYSA-N 448.531 1.238 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1741112817 BGPWYJMBWREGDU-NRFANRHFSA-N 437.548 1.644 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1744757366 UGSUCUUXSYPCJJ-QMWCZEAPSA-N 435.488 1.186 30 10 IDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1746464585 NOCVENWZRBNYFL-CVDCTZTESA-N 442.612 1.777 30 10 IDEE CN(C)[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCSC1 1747561448 ANMPFEGAYHZAEV-GCJKJVERSA-N 439.589 1.956 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1747595828 PQLOLNKJJWBIDE-QGZVFWFLSA-N 436.463 1.853 30 10 IDEE CN(Cc1cscn1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1747789937 FVHRXRPIMNCUBW-UHFFFAOYSA-N 432.531 1.866 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1748906565 WCUXHOHSSRISJS-HNNXBMFYSA-N 442.586 1.605 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1748929214 GTXUVNQBBPUNST-KRWDZBQOSA-N 430.530 1.733 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1748929950 TVOIVHVPKCRBIK-OAHLLOKOSA-N 435.550 1.991 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(F)(F)F)n2)CC1 1748987020 OTTPXECGSALROS-UHFFFAOYSA-N 428.422 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2C[C@H]2C)CC1 1749003307 FHPKBAYSIJDVEP-BOCKYXSRSA-N 429.565 1.941 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccnn2)CC1 1749044524 RJHBNTLOYKKWRP-UHFFFAOYSA-N 437.577 1.623 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC[C@H](C2CCC2)C1 1749650398 VPTDLQKQGUVDQB-QGZVFWFLSA-N 432.569 1.752 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nnn(C)n2)C1 1749697959 PAYPZFLRWZXTEO-CABCVRRESA-N 428.472 1.910 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)C1 1749711776 CEMIYLDFDVXULP-CVEARBPZSA-N 449.581 1.356 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1750524003 HBAUODSIHLSWKD-IAGOWNOFSA-N 433.534 1.944 30 10 IDEE C#CCCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159529 JLOLPPDCTDSEEM-HSZRJFAPSA-N 444.580 1.133 30 10 IDEE C#CCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760161485 HSOPALAZKQZWFL-NFBKMPQASA-N 431.581 1.891 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760189338 HYCYCENNNXYZLQ-RXVVDRJESA-N 431.562 1.442 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1760195141 XFAVQBHEOXUGHA-LPHOPBHVSA-N 443.598 1.992 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1760198539 DPQLPDWAWQVNAU-UHFFFAOYSA-N 431.504 1.298 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1760205507 CLRRTUOBCINPNQ-IRXDYDNUSA-N 426.498 1.093 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1760260298 ZABNCSZBTBHANC-UHFFFAOYSA-N 428.562 1.279 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2CCOC[C@@H]2C1 1760317002 ZQJYFXJRCNZUIO-ZRNYENFQSA-N 435.569 1.504 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1760478412 GVIRMBVEVSPUQA-QGZVFWFLSA-N 432.546 1.906 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)C1 1761544418 DFOMHARRJBDSCY-HXUWFJFHSA-N 429.550 1.429 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1767748706 LUNVTEHAMSTNGJ-ZZEZOPTASA-N 441.492 1.335 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1767917545 SECGVJWUBNYNBM-YTQUADARSA-N 441.488 1.268 30 10 IDEE CN(C(=O)c1cccc(CN2CCOCC2)c1)c1snc(N2CCOCC2)c1C#N 1852580139 PCRQGTHQXJJBHT-UHFFFAOYSA-N 427.530 1.960 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1854444107 RGXJVSLMWUXNNT-MSOLQXFVSA-N 438.594 1.866 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)C(=O)C1 1854599366 JULXSQWGGUPMSI-IBGZPJMESA-N 435.546 1.485 30 10 IDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)cc1 1855220062 CTIXHMWMBPOYDC-OAHLLOKOSA-N 426.498 1.968 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCc4ccccc4O3)C2)CC1 1857056164 KSXYBBJGHPDNCE-IEBWSBKVSA-N 431.514 1.321 30 10 IDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2csc(-n3cccc3)n2)C1)[C@H]1CCN(C)C1=O 1857252395 DHSDXNQTIFBXTL-RDJZCZTQSA-N 427.530 1.641 30 10 IDEE CCOC(=O)c1c(NC(=O)[C@H](O)C=O)sc(C(=O)OCCOc2ccccc2)c1C 1866089201 CHWXPKLTAFNAML-CQSZACIVSA-N 435.454 1.967 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN1CCOCC1 1870391135 AMKASLNVEKFYHS-UHFFFAOYSA-N 443.500 1.901 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCNC(C)=O 1870671802 JNSBQYVSBVXFOF-UHFFFAOYSA-N 435.521 1.117 30 10 IDEE CCc1ccc(-n2nnc(C(=O)NCC#CCN3CCOCC3)c2-c2ccncc2)cc1 1889760027 HTTKYIDKAVYMLN-UHFFFAOYSA-N 430.512 1.957 30 10 IDEE C[C@H](C#N)C(=O)Nc1c(I)ncnc1I 1974855578 VHSGUXGYJCUFTC-SCSAIBSYSA-N 427.971 1.784 30 10 IDEE C=CCN(CC(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1)C(=O)OC(C)(C)C 1984808329 LLGKCKUYDPFDTA-FQEVSTJZSA-N 427.498 1.990 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2085664168 QBNFIVAWSSEAKY-OAQYLSRUSA-N 433.314 1.691 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255635150 XBKMMUONQAEKRQ-CQSZACIVSA-N 434.346 1.767 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2255649268 IHRNAQRTSMKDBG-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C(NC(=O)OC(C)(C)C)[C@H]2C1 2255649269 IHRNAQRTSMKDBG-STQMWFEESA-N 432.330 1.314 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2255653075 DOSSLJGHVYKTGD-NWANDNLSSA-N 432.330 1.457 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 2255747126 FMBNMRHZGICJDG-UHFFFAOYSA-N 444.362 1.970 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255834281 MFDQTHOKAYBRMA-KBPBESRZSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256667102 YKBRJQBEPRPCOF-JONQDZQNSA-N 438.330 1.164 30 10 IDEE Cn1ncc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2256871732 KZWPAFZCQUFFQN-INIZCTEOSA-N 429.282 1.119 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267164388 QWDIZCROHGQRQD-PEBXRYMYSA-N 444.341 1.905 30 10 IDEE CN(CCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2267584963 OJGBAHDWNYSJKX-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE Cn1ncc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2268980963 WHEOUVLLJVJVCX-UHFFFAOYSA-N 442.325 1.036 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N[C@](C)(C#N)C(C)C 11399153 PTWSJVANQWTORY-HXUWFJFHSA-N 437.518 1.227 30 10 IDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 27902166 RWEFAQRJLUUQDK-GOSISDBHSA-N 429.565 1.415 30 10 IDEE CC(C)c1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443841 NXRLLWHLCCDIML-SJORKVTESA-N 434.500 1.819 30 10 IDEE CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 426454740 ABYUZFKMSXGYDK-UHFFFAOYSA-N 426.517 1.712 30 10 IDEE CSCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2)c1=O 443570913 CHHCZSACGSECOR-UHFFFAOYSA-N 431.608 1.351 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 460707261 DILKUGCEAGMKFI-UHFFFAOYSA-N 449.515 1.637 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 497576409 IKKTZOWDICQEHC-UHFFFAOYSA-N 439.581 1.750 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3c(C)nn(C)c3C)C(F)(F)F)CC2)o1 508913904 JNZNREJUHRJSRQ-KRWDZBQOSA-N 439.442 1.747 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)c1nccs1 509010852 IGFATRKQYVFOIJ-UONOGXRCSA-N 426.568 1.493 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1-c1ccc(F)cc1 514478743 MIPYTSOIQYEQLC-UHFFFAOYSA-N 430.464 1.835 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccccc3F)n2CC(=C)C)CC1 555220313 WWXCLRUPBVKNSO-UHFFFAOYSA-N 428.512 1.997 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc2c(c1)OCO2 559006140 FRQXTKLUMPMIQP-GOSISDBHSA-N 449.533 1.552 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670228041 QOGZCCYPYSGOCL-UHFFFAOYSA-N 426.525 1.524 30 10 IDEE C#CCN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@H]1CCS(=O)(=O)C1 729335000 YBPZHQQBUCQYQH-ZDUSSCGKSA-N 445.310 1.357 30 10 IDEE C[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 732651489 BKEUHSNEBJFMDT-BXUZGUMPSA-N 431.290 1.632 30 10 IDEE N#C[C@@H](C(=O)CN(CC(=O)N1CCCC1)C[C@@H]1CCCO1)c1nc(O)c2ccccc2n1 744424677 UHAJOQABJXYXNP-WMZOPIPTSA-N 437.500 1.615 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccc(F)n2)cn1 747794552 KXJSIEDXIKRNME-MRXNPFEDSA-N 447.540 1.637 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cn1 749856281 CZFLATXHECDVPW-OAHLLOKOSA-N 426.542 1.596 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 760848915 LSWWLSKAHXWGRS-HNNXBMFYSA-N 438.513 1.119 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1 767302371 NNNKBCJFMACLKW-INIZCTEOSA-N 437.518 1.051 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 774034873 CQDVHEFIPLTCLU-IRXDYDNUSA-N 440.543 1.294 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCS(=O)(=O)C1 774214604 XMARZOZYYPOUPI-LSDHHAIUSA-N 440.363 1.860 30 10 IDEE C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccco2)CC1 780180560 SRJLEMWVTTWIKH-QRQCRPRQSA-N 447.488 1.757 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)=NO1 798883221 ARWUWRFVVWMDLF-AWEZNQCLSA-N 444.492 1.742 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCc3cccnc3C#N)c2)CC1 813307895 DSVUUFYJHGKFMI-UHFFFAOYSA-N 428.470 1.163 30 10 IDEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813980272 YRBWKKIOQKQQAT-IBGZPJMESA-N 426.498 1.758 30 10 IDEE C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCSc2ccccc21 831242993 BCXXSARRWMLLCX-CYBMUJFWSA-N 445.522 1.796 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 916179613 GYNJSUZSZVIYGN-UHFFFAOYSA-N 448.526 1.000 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N(CCC#N)CCN3CCOCC3)=NO2)C1 1136458261 YULDOWGXRLKSHX-QFIPXVFZSA-N 449.552 1.607 30 10 IDEE C[C@](O)(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)c(Br)c1 1136672178 DLJYFMAYDKVRPK-NHRMXYMRSA-N 426.242 1.438 30 10 IDEE C#C[C@@H]1CCCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1143652103 IIBGJHCRYDIIEG-MRXNPFEDSA-N 431.514 1.641 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3cccc(C(F)(F)F)c3nc2O)CC1 1144025883 GLIVUMFRTVOIAR-UHFFFAOYSA-N 434.418 1.857 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)s1 1163270867 GZWWWQKPULJCGQ-DXCKQFNASA-N 441.575 1.879 30 10 IDEE C#CCn1ccc(CN(CCOC)CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1169918109 PDEHSKIDSYKRBB-UHFFFAOYSA-N 433.553 1.434 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 1192633995 CTXKPIOMGHBIHY-BXUZGUMPSA-N 434.392 1.692 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1286322972 IGOJYMUHRZNIAY-JKSUJKDBSA-N 427.596 1.356 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1286434449 ZOHNPANRMGUDEY-UHFFFAOYSA-N 428.500 1.953 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(C)O 1286467895 WIUNHWYOYFXVGM-UHFFFAOYSA-N 427.553 1.699 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC(C)CC2)CC1 1286470454 ZFWNKIVYOSGSDL-UHFFFAOYSA-N 429.613 1.684 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2ccco2)CC1 1286482294 PIVKLIJVCVUIIQ-UHFFFAOYSA-N 436.491 1.786 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)CN2CCOCC2)CC1 1286486000 FGABHZBQXNBAAR-GOSISDBHSA-N 430.597 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286794007 SFHAAKNVZYAWSV-FTEYMNFISA-N 447.580 1.883 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H](C)C2)C1 1286801374 YCYTVSZYDVZZHA-RCCFBDPRSA-N 440.614 1.402 30 10 IDEE CC(=O)N1CCC(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1286857483 WQBMVMGRYUPPOM-KNQAVFIVSA-N 446.552 1.306 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1288304229 CFYHHIOGGSOTPZ-SFTDATJTSA-N 446.483 1.784 30 10 IDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1288967070 VYLCHLPVVGVCJT-GXZWQRSESA-N 428.468 1.764 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)NCC2CC2)s1 1290393040 NHCFYFYUSQIJTD-AWEZNQCLSA-N 429.589 1.183 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nncn1-c1ccccc1 1292133187 GOBPHSDGZKYCCD-GOSISDBHSA-N 449.519 1.554 30 10 IDEE CCO[C@@]1(c2nnc(N3CCCC3(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1296630844 MAIIMQHFHOIKSV-ZDZITJCTSA-N 444.536 1.835 30 10 IDEE C#C[C@@H](CO)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1298583754 FGTAWXZPYWVTJN-RDJZCZTQSA-N 428.514 1.223 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCN2C(=O)c3ccccc3C2=O)c1 1299763716 MXYXGUSLLFOQKO-UHFFFAOYSA-N 441.509 1.909 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(CC)CC 1300528007 NWFOKRQNUSDWGX-SFHVURJKSA-N 431.544 1.995 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N(C)C 1300545874 XRLAFWYEVFZPOU-UHFFFAOYSA-N 429.546 1.438 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1300580587 DZLATFQAWZYIQD-KRWDZBQOSA-N 428.537 1.949 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N[C@@H](C)CC)CC1 1300711014 RNXCPAOECAUZHT-BJLQDIEVSA-N 432.569 1.062 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301000205 MRXHNLQESPTBAF-OAQYLSRUSA-N 443.596 1.891 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCOCC2)CC1 1301063967 LRANDSGGCHIDFM-INIZCTEOSA-N 426.587 1.156 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1301362845 KQMKYJKEOFCDAU-CQSZACIVSA-N 433.563 1.611 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1301484101 AMWGCOSEBBLHKZ-NRFANRHFSA-N 448.575 1.335 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1301506067 GLSYGYDUKIXBPU-UHFFFAOYSA-N 425.537 1.261 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(=O)N2)C1 1301543183 ISMNYYUGHZTVFV-IAGOWNOFSA-N 445.545 1.409 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCCS2(=O)=O)C1 1301553140 FHULFBTXWXVLII-QGZVFWFLSA-N 447.561 1.771 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)C1 1301555022 RCESFDNYRNAOAF-ZWKOTPCHSA-N 430.553 1.803 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCN(S(C)(=O)=O)C1 1302241149 GRDZDXOKDBCQJX-QZWWFDLISA-N 440.570 1.022 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1302361573 CUDZQNQZFDQSLY-GAJHUEQPSA-N 441.532 1.981 30 10 IDEE CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1306639986 MNVDHNHHDURQGX-INIZCTEOSA-N 425.541 1.983 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1358896072 WSBHBWJBTJAKRT-CABCVRRESA-N 428.459 1.122 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC=C 1358946027 FGSIIBZWXXEBJY-UHFFFAOYSA-N 440.529 1.345 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCS(C)(=O)=O 1359019857 JICHJUOMMHVXNO-UHFFFAOYSA-N 444.355 1.556 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCCCO)CC1 1359046169 HEEKEZLTOZNORS-UHFFFAOYSA-N 449.559 1.645 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1359059338 JZXKYXQKONBYNC-KRWDZBQOSA-N 449.627 1.627 30 10 IDEE C=C(C)Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359125097 PCCJAQVBGNXETP-IIBYNOLFSA-N 432.525 1.273 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1359257141 AGXHAYRSBJGZSE-KKSFZXQISA-N 446.577 1.559 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1359305264 XTKQMNMOSRBRIY-OAHLLOKOSA-N 446.939 1.905 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1359355047 HLGBYCQEBDRXPP-MRXNPFEDSA-N 448.487 1.743 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1359476438 DZFUAYXRAMEQFJ-AWEZNQCLSA-N 429.550 1.911 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1442474598 QOIIBYVMSSUXMR-CABCVRRESA-N 427.592 1.770 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 1444060700 GSAMMBSAVGMEBR-UHFFFAOYSA-N 445.520 1.331 30 10 IDEE C#CCOc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1444162295 ZXZVIKAEPDQGKY-UHFFFAOYSA-N 444.509 1.845 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)NCCN3CCCCC3)C2)C1 1449536337 XBOVKSRIGAWQCJ-FRIYVGAWSA-N 447.580 1.492 30 10 IDEE Cc1cc(C(=O)NC2(C#N)CCN(C)CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1464834020 CBUBIBRITNGAIW-UHFFFAOYSA-N 429.546 1.518 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1=O 1466694568 LWHPZILMDXOBGS-UHFFFAOYSA-N 444.488 1.517 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1470958374 BZSSPVYDPJEVKQ-SFHVURJKSA-N 430.530 1.597 30 10 IDEE Cc1cc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)on1 1493129962 DMCMLEHMGQXDAE-KRWDZBQOSA-N 441.879 1.935 30 10 IDEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1493777242 BQISWPCXMITGMM-HRAATJIYSA-N 445.545 1.515 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499723239 VNRSNJQROSTIAN-CRAIPNDOSA-N 427.509 1.289 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@@H]1CC 1503219960 HWHUPDLMQMUVJX-FQEVSTJZSA-N 449.563 1.931 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC[C@H]1C 1504500904 IRTOKSOOGZNEQQ-YLJYHZDGSA-N 438.532 1.927 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(N2CCOCC2)CC1 1504971403 BSYPFHQPSBKSDI-RXVVDRJESA-N 432.569 1.997 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1505073054 OUFUUNUDEAASBX-FPXQBCRKSA-N 441.529 1.411 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CC1 1505320251 HMTBTTHHUHDZQH-ROUUACIJSA-N 437.566 1.363 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1505322244 KTRKLUFBKPMRHA-SFHVURJKSA-N 433.472 1.595 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCOC2)c1 1507550815 PQTWDCKRTADEPN-XXBNENTESA-N 439.516 1.727 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507626440 NZUXCTLDJPURMV-QGZVFWFLSA-N 441.513 1.925 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 1507634555 ZATCPIAMVDPPFA-RTBURBONSA-N 441.557 1.467 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)CC 1507652052 DBQVBXRFNSUPNN-PMERELPUSA-N 425.562 1.294 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1507831945 IPSMDOYZQMKRHC-OALUTQOASA-N 434.585 1.411 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1507835570 FRMYYNAAOAUWBD-UHFFFAOYSA-N 432.569 1.990 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](OCC)C1 1508075559 YHRVLANTWRVCMV-KRWDZBQOSA-N 447.561 1.656 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)C1 1508111552 ZUPCOMSAUWBJED-ZFWWWQNUSA-N 438.554 1.577 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1529510792 HWSXUPGMPDBUAP-INIZCTEOSA-N 448.524 1.658 30 10 IDEE Cn1c(C#N)ccc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1531787354 SORMOWAUAYBOLN-GXTWGEPZSA-N 428.411 1.890 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539203887 VUKKOORGAHOIPB-OAHLLOKOSA-N 435.516 1.912 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539263886 QJZFBSSSGLNPPE-GOSISDBHSA-N 427.530 1.201 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1539324903 ZEHAEMOQEYVQLO-IBGZPJMESA-N 449.540 1.272 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1N1CCOCC1 1539340357 LCLTXIKVUSTUME-UHFFFAOYSA-N 439.564 1.936 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2F)CC1 1539477469 NSGPDTHIQSQIGI-UHFFFAOYSA-N 439.470 1.971 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540041571 AHCSFROOZMTVKW-XGHQBKJUSA-N 435.525 1.626 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1540869414 LTTHODPIDGVNFO-UHFFFAOYSA-N 426.496 1.949 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCOC2)nnc1[C@@]1(OC(C)C)CCOC1 1540908674 LIPHYJVVQAOBCS-QFBILLFUSA-N 428.555 1.145 30 10 IDEE CC(=O)N1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC12CCCCC2 1540977622 HZEVWWZGFKSKIZ-FMQUCBEESA-N 441.536 1.484 30 10 IDEE C=CC1(CC(=O)NCCNS(=O)(=O)Cc2ccon2)CN(C(=O)OC(C)(C)C)C1 1545185262 VRHYXPMIKWOAJE-UHFFFAOYSA-N 428.511 1.023 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1545706835 YZLUYWJSHLCYHB-ZYSHUDEJSA-N 440.504 1.595 30 10 IDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1548258276 JAERGHSXEKGQIX-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1554494255 BTRUFWRKYLSVAY-SFHVURJKSA-N 425.493 1.084 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1555331674 GGTFUXFMVLAMGP-LSDHHAIUSA-N 436.538 1.654 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc2c1OCCCO2 1555671278 PTYRSADWLVAKOV-AEFFLSMTSA-N 443.504 1.940 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(CNC(=O)Cn3cc(C#N)c(O)nc3=O)cccc2C1 1557865697 UNLCCHWZGMCMCM-UHFFFAOYSA-N 439.472 1.430 30 10 IDEE C[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1CCN(c2ccccc2)CC1 1563443453 BQUHNGXNSUVZOI-HXUWFJFHSA-N 433.560 1.996 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1564590115 PDOUYJWKBFJSFF-YGTYGHESSA-N 426.539 1.402 30 10 IDEE C#CCN(C(=O)N[C@H]1COc2cccc(Br)c2C1)[C@H]1CCS(=O)(=O)C1 1565259056 PWCYSZBLPRWDCL-OLZOCXBDSA-N 427.320 1.585 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 1565814754 HQROLCFPYAYVDZ-UHFFFAOYSA-N 448.545 1.471 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCO[C@H]3CNC(=O)OC(C)(C)C)CC2)c1C#N 1567645690 DMHOAACYKZZOCH-WBVHZDCISA-N 432.525 1.179 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(O)C1=O 1569561167 PBYNJNHMLKYALC-IRXDYDNUSA-N 437.543 1.346 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H]2CCCCN2C1=O 1570097429 UFVSWEQPGOWLBA-NVXWUHKLSA-N 432.546 1.555 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)C1 1585656408 SZNPYEFJCNHIAN-KYQKOBIMSA-N 438.571 1.252 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)cc1 1586914112 QPMZVVCCXMFAGT-UHFFFAOYSA-N 433.443 1.704 30 10 IDEE C#CC[C@@H](COC)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1587392693 RCVVMSRLSDJALI-IRXDYDNUSA-N 435.546 1.225 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCO[C@H](C)C1 1587598651 DOGUVVBDEPYNHP-RTBURBONSA-N 449.563 1.880 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(CS(C)(=O)=O)CC1 1588149101 FEESZDZVRRGFQH-UHFFFAOYSA-N 436.541 1.414 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCO[C@H]2CCOC2)CC1 1588779777 CIFZMKQVIIFAHJ-SFHVURJKSA-N 430.940 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2ccnc2C)CC1 1588929772 GGFKYQOGAOOZES-FQEVSTJZSA-N 439.564 1.733 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1589216597 SLTVJYMNPKUQLV-IIBYNOLFSA-N 428.562 1.682 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1589483229 NLNZTPJLAQJMBS-PMPSAXMXSA-N 427.571 1.267 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 1595489286 DZDZFWRQSMWEQJ-ZDUSSCGKSA-N 433.310 1.321 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ncc(C)s3)CC2)s1 1618410891 LVYFZAKQEOBNDS-UHFFFAOYSA-N 426.589 1.869 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1618678023 AHVBLFLMYUINJT-UHFFFAOYSA-N 438.532 1.996 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)C[C@@H](C)C#N)CC1=O 1619927207 BVXJIHGNSDQSGA-HOTGVXAUSA-N 440.504 1.765 30 10 IDEE C[C@]1(C(=O)N[C@H](C#N)CO)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1624090584 HZQDYBLIWLEOJK-DQIAKBPPSA-N 435.480 1.761 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 1625160878 OOMLMHNCGFBFJQ-OTSFNDEFSA-N 435.424 1.185 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl)C1CSC1 1629034321 WNBVCYFZIYAMQH-UHFFFAOYSA-N 442.006 1.857 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 1629068621 JKHCGZLXMJLHGE-QGZVFWFLSA-N 427.505 1.182 30 10 IDEE CN1CCN(CCCOc2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 1632045394 POUSVIFZQZTLTR-GHVJWSGMSA-N 441.532 1.558 30 10 IDEE CC1(C)CN([C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)CCO1 1633163891 AYQNYSHUXVRXMK-QGZVFWFLSA-N 445.907 1.442 30 10 IDEE C#CC1(F)CN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1633366073 WAGKTROTBVBCPB-INIZCTEOSA-N 428.489 1.906 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1Cc2cnccc2NC1=O 1633556966 ZYIDSDNPTCZWGC-QGZVFWFLSA-N 441.513 1.360 30 10 IDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1634053491 PDJBUBGGNQGHBW-IZCOPSDLSA-N 433.553 1.988 30 10 IDEE C#C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCC 1641574835 SDAUUMPTVVWBFK-MRXNPFEDSA-N 432.546 1.274 30 10 IDEE Cc1cc(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)nn1-c1cccc(C#N)c1 1642017662 ZVYNVHAMRWUMBC-IBGZPJMESA-N 427.530 1.387 30 10 IDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1cccs1 1643761685 XAZVONNHDPVYOX-UHFFFAOYSA-N 441.604 1.825 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 1643881397 ORSKYQCWQBAXPA-SAZUREKKSA-N 436.486 1.858 30 10 IDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)c1 1644101259 BCOLVSIZFHEZNG-OAQYLSRUSA-N 427.530 1.828 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H](CO)[C@H]1CO 1645092808 YTXMEDXKZVQHFU-DZGCQCFKSA-N 427.295 1.690 30 10 IDEE C[C@H]1COCCN1C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1645880456 DYYVSDRGWJNHSE-WMZHIEFXSA-N 443.567 1.720 30 10 IDEE O=C(NCC#C[C@H]1CCCCO1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1648587104 ZZMDWGIARKKPCH-NUJGCVRESA-N 426.922 1.153 30 10 IDEE COc1cc(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 1653913788 GCFDJNPAPSRIAL-CQSZACIVSA-N 431.514 1.880 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(=O)c1C#N 1654531288 SHQXDQXTAMIFEQ-VXGBXAGGSA-N 435.278 1.345 30 10 IDEE N#CCCN1CCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 1663728599 GPURLXGMVGSSQH-UXHICEINSA-N 434.562 1.943 30 10 IDEE C#CC1(O)CCN(C(=O)NCCCNC(=O)c2cc(OC)ccc2Br)CC1 1680115804 XZVVNNQYPSFQSU-UHFFFAOYSA-N 438.322 1.747 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1c1ccc(Br)cc1 1682196608 DNXUKXSQBBWXNH-LSDHHAIUSA-N 447.293 1.510 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1684245977 AKKHFTCSJZOAOX-JKSUJKDBSA-N 425.526 1.946 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1689826157 IVDUYBQUCAKFKH-AWEZNQCLSA-N 428.924 1.846 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCc2ccn(C)n2)c1 1689868541 JOGXMWAWAPNDAF-UHFFFAOYSA-N 448.531 1.449 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1689929805 FDIQOJHZKJQJHR-KRWDZBQOSA-N 432.550 1.212 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1689949501 GNGHHNJMKBKDLA-UHFFFAOYSA-N 434.518 1.618 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1689990735 RDHAVLWCUMPXPR-MTQWCTHYSA-N 448.589 1.780 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(OC)C2CC2)CC1 1690113379 HXSJXZOLXRQTDK-XZOQPEGZSA-N 431.581 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)[C@H](C)CC)CC1 1690143954 HOYDBFFIOMCFLK-BPQIPLTHSA-N 430.553 1.256 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690250514 ILALCXJEJVPIOR-SVMVAKDDSA-N 444.580 1.877 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690497538 SNVUNSYGXCLBDF-VGOFRKELSA-N 442.520 1.902 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690508736 OIOHSEGBGNOCLW-SFHVURJKSA-N 443.552 1.890 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1690574393 YPLMZMRXYVMFRP-LSDHHAIUSA-N 441.579 1.558 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1690609120 DSEUFWDOANNUGZ-INIZCTEOSA-N 445.549 1.668 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)C1 1690699721 IKWJEQDPHRIQDG-SJORKVTESA-N 439.582 1.124 30 10 IDEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1690746613 DZSQBOMCNWYVAF-ZWKOTPCHSA-N 445.545 1.661 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1690998995 ABMFUKZXPWWWNO-OAHLLOKOSA-N 427.534 1.770 30 10 IDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1691526043 BTPWWGLZHOBIHO-UHFFFAOYSA-N 439.520 1.203 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1694328163 WPNHYWBKNAOFMM-TYCQWZJGSA-N 434.516 1.977 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1COCCO1 1698048980 DZSYXTWHUNYXKJ-IBGZPJMESA-N 435.488 1.675 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1698297979 GGDGTRPRZQUJHG-UHFFFAOYSA-N 433.534 1.229 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705512553 HBRAXNTWFKUOJW-KRWDZBQOSA-N 445.545 1.995 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 1705634609 DARPAARINSJVCH-JXHRLWIKSA-N 431.581 1.963 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCOC 1705672058 JCLWOQPDLRAOQD-XMMPIXPASA-N 449.559 1.762 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(=O)(=O)CC 1705693668 JJFJIXMEAZRXPE-SJORKVTESA-N 439.582 1.366 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705706010 OILCYSCVLQIHTC-HBFSDRIKSA-N 426.521 1.196 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1705709640 CKODFUNYZDEHIK-UHFFFAOYSA-N 429.916 1.836 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1705725610 LCSFXCOTGOTCQF-SFHVURJKSA-N 435.594 1.985 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1705894943 OQNFTAWPPNLNFV-CYBMUJFWSA-N 432.447 1.266 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1705912317 GOZUKJPXIMIOQJ-DOTOQJQBSA-N 446.533 1.230 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCC)CC1 1705932590 WBJATHJQAWXTCO-UHFFFAOYSA-N 447.565 1.079 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1705946449 ICPHVNUZNOMQDD-INIZCTEOSA-N 441.623 1.548 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC(F)(F)CO1 1706870143 WNEWQPJZSIRTPR-TZMCWYRMSA-N 432.497 1.443 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1708036425 AEOQCBQYUMGQAZ-FPDPHYFHSA-N 429.546 1.991 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1710839594 XQUFJWQYLBULMM-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCNC(=O)OC(C)(C)C)cn1 1711251939 XOCGXPAFPOAPBZ-MRXNPFEDSA-N 430.513 1.712 30 10 IDEE 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C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740964212 LATAJJNLINFTDQ-QGZVFWFLSA-N 446.939 1.918 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1741801199 YIESXNNSBYHJMZ-SOLBZPMBSA-N 444.565 1.678 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1[C@@H]1C[C@H]1C 1741937277 AZHMFAPCGWIANN-QWQRMKEZSA-N 447.540 1.807 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)c(F)c2)CCOC1 1746737333 ZCOFMOFYVQNJRJ-VGOFRKELSA-N 444.511 1.912 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CCC1 1748664751 JEBJWDFMZJAODG-DHMKHTPVSA-N 448.618 1.997 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1748811100 BQKHMYFNCSAIIQ-MRXNPFEDSA-N 444.467 1.688 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 1748824035 HQCXMCXZVIBGNK-IBGZPJMESA-N 444.557 1.815 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1748892159 JWTWONNIPUGGCF-MFMCRYCZSA-N 441.576 1.515 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCn2ccnn2)CC1 1748978940 UNJFTIZMYBLWNH-SFHVURJKSA-N 438.511 1.994 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1748991416 WNDBPVAPVPKRPF-QZTJIDSGSA-N 445.568 1.145 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1749128476 WMVYDCXQQOMPJY-QKLQHJQFSA-N 430.553 1.515 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1749275412 AURTWLHJEMLEBI-HZPDHXFCSA-N 438.960 1.521 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749658162 HCTKZWCGANUWET-QHCPKHFHSA-N 446.515 1.604 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@](=O)CC)C1 1749701311 SNUWLNMBADHPKP-FZEVHQGJSA-N 442.549 1.471 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CN2CCOCC2)C1 1749717940 RJGZGSQZLYTPLQ-WIYYLYMNSA-N 443.596 1.889 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 1749731546 GZSJCXKCPKAOLN-HNNXBMFYSA-N 438.941 1.515 30 10 IDEE Cc1nnc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)s1 1751869103 GNBFFFCCWOWEBY-UHFFFAOYSA-N 438.517 1.458 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1760116554 IIRDYUBNYRIQKA-CABCVRRESA-N 428.518 1.394 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760185514 YONZPGSLURXNBI-CYBMUJFWSA-N 442.419 1.863 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1760206327 WRHKBQBROCETLD-SFHVURJKSA-N 427.530 1.485 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C(F)(F)C12CCC2 1760232553 APEMQEAEYWJNRN-LSDHHAIUSA-N 443.520 1.506 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760275827 KCNLGFAHJJIDKI-UHFFFAOYSA-N 435.575 1.402 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760306126 CFTCEEDMSHYARN-BNOWGMLFSA-N 433.372 1.950 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1760450838 UDYRTYSVHNBQBM-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)=O)CC1 1760517518 OSPMBMWQDCSVND-UHFFFAOYSA-N 434.447 1.517 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760523699 GDXWLHBUXWHZLJ-QRVBRYPASA-N 432.569 1.369 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1OC 1765993810 VCFORIYBHVZVEC-HTAPYJJXSA-N 443.504 1.887 30 10 IDEE COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1769244835 FLYHROIERDEINC-LJQANCHMSA-N 434.504 1.595 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1769559206 FCOLCVGFVSNZGI-VGSWGCGISA-N 442.568 1.835 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1769950030 DTDNNMOFXAETPP-UHFFFAOYSA-N 449.515 1.343 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1772791749 DLKWACGCXFPSAH-CYBMUJFWSA-N 432.429 1.981 30 10 IDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H](C(C)C)N2CCS(=O)(=O)CC2)c1C#N 1851783604 CWICTXVEXJJMJS-IBGZPJMESA-N 429.546 1.805 30 10 IDEE C#CCO[C@H]1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891387833 RZMOIYOPYPQWRH-IRXDYDNUSA-N 435.509 1.870 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1984940084 CJFICAXKVOYJQJ-JYJNAYRXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C(=O)C1 2124537520 ZAASAFGARRCACC-GJZGRUSLSA-N 449.357 1.616 30 10 IDEE Cc1csc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247832804 VSGCBBLWVYFIQX-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2247834680 ZOWUZULQTLZDAG-UHFFFAOYSA-N 438.359 1.640 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 2255526639 XFWIONLTEGCZKX-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCO1 2255646248 MLULZNPEQRPCPT-AWEZNQCLSA-N 434.302 1.447 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255802685 CKASQOKUTDWVGB-GJZGRUSLSA-N 429.326 1.976 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2255838959 NZXMSSKAJXSGPS-CABCVRRESA-N 432.330 1.553 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(CNC(=O)OC(C)(C)C)CCC2)n1 2267113311 RSWZYPPUWOTEOE-UHFFFAOYSA-N 449.361 1.539 30 10 IDEE Cn1nc(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1B1OC(C)(C)C(C)(C)O1 2267125514 GEQRTSDMKOYHFX-UHFFFAOYSA-N 447.305 1.114 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 2267263714 JNFGMBUTNJXAMT-NRFANRHFSA-N 447.345 1.340 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267502711 RXDCAQRPHXJDNE-MZBDJJRSSA-N 446.357 1.705 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267521705 SZCFKIYOMXOPEK-RCDICMHDSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@@H]21 2267591910 ABERMLCCUDPPAS-CVEARBPZSA-N 444.341 2.000 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2272632319 FNZOSEWPYCLMAG-FPTDNZKUSA-N 444.341 1.763 30 10 IDEE CSC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284411245 HXLLBGFBAGOTHV-VIFPVBQESA-N 441.789 1.795 30 10 IDEE COc1ccc(C=CC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1OC 2323157649 DBDIBLMCODXIFX-UHFFFAOYSA-N 426.429 1.938 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2329013444 RJCFRFFWECRLDZ-CYBMUJFWSA-N 431.478 1.370 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2337289658 LKXKCPBGPZJPCF-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2367820478 RFVXHKNGCFAULN-LVIWNVNYSA-N 434.558 1.755 30 10 IDEE CC(=O)OCC(=O)[C@]1(O)[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 136812720 IQFJTDLERMTRLJ-LNTSCZFRSA-N 436.476 1.191 30 10 IDEE C#CCn1c(=NC(=O)Cn2c(=O)oc3ccccc32)sc2cc(S(C)(=O)=O)ccc21 254765045 RWVRGUGFQCDOFM-UHFFFAOYSA-N 441.490 1.775 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 392322863 AKFALVNZKJSZGY-UHFFFAOYSA-N 436.759 1.711 30 10 IDEE COc1ccc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 447248538 LKKZXBYCUBINSV-UHFFFAOYSA-N 446.460 1.178 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1C[C@@H]1CCCO1 461150482 JKFXNIIBJUDFFX-IRXDYDNUSA-N 433.520 1.839 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478752867 BJPPNVKFVIALLY-MRXNPFEDSA-N 434.521 1.440 30 10 IDEE CN(C(=O)CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1)C1CCCCC1 481053774 FZMVXPABICTUHW-UHFFFAOYSA-N 436.553 1.936 30 10 IDEE CN(C)C(=O)CCN1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 520240515 AFNGSCLCNRYHQF-UHFFFAOYSA-N 434.562 1.437 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)c1 538497945 YSTWXGZHFSHFIR-UHFFFAOYSA-N 429.567 1.857 30 10 IDEE Cc1csc([C@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 544478092 SLJYREUUURLSJJ-HNNXBMFYSA-N 433.559 1.507 30 10 IDEE Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)nc1 585488219 AJRFOYHMBJTVIK-UHFFFAOYSA-N 435.513 2.306 30 10 IDEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 609729907 XSEMPOWTPCYYMO-MRXNPFEDSA-N 428.514 1.720 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C[C@@H]1CCCO1 619695223 YPGUBTPIKXGPCE-HNNXBMFYSA-N 445.516 1.266 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2coc3ccccc23)c1=O 676559480 GBOMRXOOTSWZSL-UHFFFAOYSA-N 435.505 1.616 30 10 IDEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1C 728557080 DDZDSTQIWOFYON-SFHVURJKSA-N 440.569 1.309 30 10 IDEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(c2ncccc2C#N)CC1 731600879 HGEFDTWFLXKHCL-UHFFFAOYSA-N 425.401 1.410 30 10 IDEE COC(=O)[C@H](NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(C#N)cc1 739990804 ODEUESDQNGKMNV-OAQYLSRUSA-N 443.525 1.724 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCCN(C)C)C(=O)N1CC(=O)NC1CC1 741452249 CEOMWVWRFGTJIV-SFHVURJKSA-N 445.589 1.663 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC#Cc2ccccc2Cl)s1 747068357 GQGHVCGFADIUEQ-UHFFFAOYSA-N 440.930 1.911 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c(F)cccc1I 760576393 WYUPDAYPQFDGJK-SQFISAMPSA-N 429.189 1.687 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 767674911 HEEJWNIAZNJDLJ-TZMCWYRMSA-N 447.435 1.569 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1noc(Cc2ccccc2)n1 767680716 NOWRUKJRPUDFRL-AWEZNQCLSA-N 426.454 1.942 30 10 IDEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 780309631 NFHXCUKDBWMAAF-DOADOZAASA-N 431.514 1.934 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800776665 NWCIMHBHVZUZOV-INIZCTEOSA-N 426.550 1.601 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)CCN1C1CC1 802222162 YLNZGXLKTHZNJC-HKUYNNGSSA-N 426.546 1.405 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)cc1 808437507 HFYOXXPKWGFOEN-AWEZNQCLSA-N 440.481 1.604 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 812185598 AGDBRYNLPNJCNG-KRWDZBQOSA-N 434.541 1.831 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 813564202 WVTWVYSFHWSHMQ-BBRMVZONSA-N 437.541 1.268 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)[C@@H]1CCNC(=O)CC1)CCCC2 815421158 HPHSJSIRWHOGMT-HOTGVXAUSA-N 442.516 1.816 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cccnc23)c(=O)n1C[C@H]1CCCO1 818220367 LQOHLHUFTNNQGA-GOSISDBHSA-N 446.532 1.442 30 10 IDEE CCOc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)cc1 916179174 QDNJLEQEABCTGD-KRWDZBQOSA-N 427.482 1.956 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)[C@]3(C#N)CCCOC3)C2)CC1 1136343773 JUVWOKSMXFMVIM-JTSKRJEESA-N 434.537 1.625 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1144409909 WUXLQXDTLCMHKY-QGZVFWFLSA-N 444.598 1.589 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc1OC 1167322345 ZCZCUMGHXSSNCY-RNPAOAGASA-N 430.501 1.750 30 10 IDEE CN(C)c1ccc2nnc(CNC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)n2n1 1178856714 MMPSYQCHEMAEOJ-UHFFFAOYSA-N 427.509 1.457 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)C1 1194691539 RCWNPIYKJBKYMC-LLVKDONJSA-N 433.299 1.751 30 10 IDEE N#CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1252309258 ZSIQMVMMUHHASO-UHFFFAOYSA-N 443.485 1.877 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 1252863166 SZSYMOWKGNWKNE-GOSISDBHSA-N 425.489 1.488 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286338150 HFAPNWYJHSKODL-UHFFFAOYSA-N 445.549 1.104 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286387104 NYRJAMMZKWFLLY-CQSZACIVSA-N 443.451 1.893 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCOC1 1286409003 NGJAWQXJMSAIEA-QGZVFWFLSA-N 426.546 1.738 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1286420996 VRDOKVOXXVEUCV-QGZVFWFLSA-N 436.541 1.948 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1286448119 POZIXVCYDNVTNX-IRXDYDNUSA-N 435.525 1.461 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(=O)OC(C)(C)C 1286448500 WKTQUUVRQSKSMV-MRXNPFEDSA-N 439.582 1.897 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(O)(CC)CC)CC1 1286492799 PYFQAFQQKMTHPZ-UHFFFAOYSA-N 441.580 1.657 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCCN2C2CC2)CC1 1286493705 WTZJNHXTMHZUBX-HXUWFJFHSA-N 428.581 1.797 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1286522415 JRVUXXTXURNIMX-LAUBAEHRSA-N 428.562 1.682 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)CC1 1286542575 BTWONLVNUYLWHP-UHFFFAOYSA-N 427.347 1.078 30 10 IDEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1286599225 QJSZGQIBUKGYFB-UONOGXRCSA-N 443.480 1.707 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1286645113 UYDOKDAVXQTCMB-SFHVURJKSA-N 429.546 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCCOC)CC1 1286784389 GFXCEQXIYCVLPC-UHFFFAOYSA-N 443.504 1.608 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286786411 RJUGEGSIKSQGPH-UHFFFAOYSA-N 443.596 1.372 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1286801889 JTCQPSNYIAFUCP-FQEVSTJZSA-N 436.516 1.847 30 10 IDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1287785825 NDHLUWYGRZYDFE-OALUTQOASA-N 431.452 1.706 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1288737939 WFBIDRCXVXUFOZ-LPHOPBHVSA-N 445.545 1.943 30 10 IDEE C[C@@H]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1291055393 GBNDJMXXWLJFKT-KBAYOESNSA-N 436.582 1.787 30 10 IDEE C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1291162372 PLFJFMGYBCFPHW-MYDZZUQKSA-N 441.536 1.628 30 10 IDEE C=C[C@@](C)(O)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1293607559 WEXKZNDHYVCWPA-QGZVFWFLSA-N 431.352 1.304 30 10 IDEE CCN(C)c1nnc(COc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1295123368 KRVHMFOFPKFYOL-VXPUYCOJSA-N 426.477 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)CC1 1295684520 FWDBLZVRJVSSBW-UHFFFAOYSA-N 431.493 1.460 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)C1 1299032335 GFYFJJFRTZNPBZ-JOCHJYFZSA-N 426.521 1.852 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1300303410 IVOYFBZWXKFOTA-MSOLQXFVSA-N 449.559 1.618 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1300495106 CTNPPBFLMIOLMU-MRXNPFEDSA-N 437.566 1.336 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1COCCO1 1300512435 JLXWJOZXJJCWPY-KRWDZBQOSA-N 442.545 1.035 30 10 IDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300638652 SWFDYOJJCARNJU-GOSISDBHSA-N 431.562 1.907 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300913114 QYWHCSLJVYDNLP-OAHLLOKOSA-N 434.541 1.925 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301041074 XOLZYNWBMAZSNN-IBGZPJMESA-N 443.527 1.595 30 10 IDEE C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301155552 PPDNFJGCZIKZQI-INIZCTEOSA-N 428.562 1.680 30 10 IDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1301223111 MVYFOTITNYTTCK-MRXNPFEDSA-N 434.541 1.831 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301923473 NPKMXSIKQNCUNM-OALUTQOASA-N 437.504 1.205 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CC=CCC1 1305786323 UQOGTXJVUXEJNZ-HXUWFJFHSA-N 440.596 1.635 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1307055072 OSCRYQINKLQMTG-MSOLQXFVSA-N 438.536 1.919 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]2CCO[C@H]2c2ccc(O)nc2)CC1 1307991292 GOUMPFAKWZPLAQ-QTEQDKRBSA-N 439.491 1.755 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCC[C@@H]1C#N 1307994791 WRERBSPSHQPILF-CRAIPNDOSA-N 435.506 1.052 30 10 IDEE N#CCc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1309655518 DEPMIENQRZRBBB-UHFFFAOYSA-N 434.543 1.094 30 10 IDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCC1 1312951603 BOKPEFKGSFAGOH-UHFFFAOYSA-N 447.517 1.117 30 10 IDEE CN1CCC(C#N)(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1358276080 WINDIKGBVFFAAH-UHFFFAOYSA-N 432.322 1.624 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1358929657 FINFWNRRQZDKSD-HOTGVXAUSA-N 434.541 1.700 30 10 IDEE C#CCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936345 LEOMBZDHRRGAAJ-JOCHJYFZSA-N 425.537 1.849 30 10 IDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358950564 PULVYLFKSLAOLK-RBUKOAKNSA-N 428.562 1.538 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1358970258 JPDNLVGDSZVCSY-DEOSSOPVSA-N 445.527 1.940 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1358994236 IFTTUNXGEVBDHG-IBGZPJMESA-N 442.589 1.996 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1359039366 FXMNAIOJJQBTIT-ZWKOTPCHSA-N 438.523 1.241 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)cc2F)CC1 1359040505 XEIJHCWMJZFMKV-RXVVDRJESA-N 443.523 1.953 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1359058954 VYYSBYRJKMQSTJ-UHFFFAOYSA-N 431.537 1.669 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359059877 DBPJHFOEGBNPHA-SFHVURJKSA-N 429.546 1.217 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](OCC=C)C1 1359296685 QQFSVWBLHJJGDM-KRWDZBQOSA-N 425.489 1.800 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1359305367 BHBGBXSYXXSSJS-JTSKRJEESA-N 449.552 1.007 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1359476428 DPWCEQJACDCBFP-HNNXBMFYSA-N 427.484 1.565 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1360372534 MCMAAGMQSVBGBR-UFVMTTLYSA-N 444.536 1.702 30 10 IDEE Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cnn1CC(C)C 1360953363 RKIVLISJJMTCRN-HUUCEWRRSA-N 436.586 1.693 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N(c3cc(C#N)cc(C)n3)C3CC3)cc2S1(=O)=O 1461456112 NVMDRRWKBFZTMN-UHFFFAOYSA-N 440.481 1.862 30 10 IDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCc3ccccc3)c(F)c2)CC1 1463919834 SJLRPQMEEWZQOO-UHFFFAOYSA-N 445.516 1.460 30 10 IDEE C#CCN(C(=O)NCCOCCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1468884558 NYVXARRKAQZPJR-UHFFFAOYSA-N 431.555 1.092 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)[C@@H]2C1 1471265166 OXXHBRPHUBZYSU-ROUUACIJSA-N 426.521 1.898 30 10 IDEE C#CCN(C(=O)CSCC(=O)N1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882961 ZDWFIGGIHBIYAS-UHFFFAOYSA-N 439.578 1.440 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1(C#N)CCOCC1 1472339138 UCTGHELBIJZEGY-QGZVFWFLSA-N 437.518 1.153 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCN(C(C)C)CC2)n1 1492734211 FWHSIURBHBTOIU-KRWDZBQOSA-N 428.585 1.971 30 10 IDEE C[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1493781243 VNBAPJSXWLIBGS-JHBCHSCWSA-N 441.536 1.553 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@H]1COCCO1 1494135760 GXAGTBXXCXUXMB-IRXDYDNUSA-N 440.552 1.659 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CC(=O)N(C)C 1504874570 UUFJZBCURVAKNE-IBGZPJMESA-N 426.521 1.785 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc2c(c1)C(=O)NCC2 1504940599 IBOAWPYKDVRLLJ-CVEARBPZSA-N 426.521 1.932 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1504962898 ARWSUDKPMUCDKP-YOEHRIQHSA-N 429.518 1.411 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1505029292 LETVXDHSPXITEM-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1505322044 HGZMPKUFBFTTOL-WMZOPIPTSA-N 446.533 1.227 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507593244 LQHBORZXVMNTCU-HXUWFJFHSA-N 428.518 1.714 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C2CC2)ccc1F 1507617086 QPUUBBDPHYYQCG-LJQANCHMSA-N 447.536 1.745 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1507622576 JUPLSKJBCTUCMM-CVEARBPZSA-N 442.545 1.598 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1508076890 WMVCZEHJJWPZLB-IRXDYDNUSA-N 444.511 1.380 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS[C@@H](C)C2)CC1 1508278287 HUCBWHGFQLRKAX-KRWDZBQOSA-N 439.589 1.923 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)C[C@H]21 1519453020 ITGUGSSCSQLISJ-IPMKNSEASA-N 429.546 1.970 30 10 IDEE COCCCS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1533376919 PQFVOOUBHKGCIB-UHFFFAOYSA-N 444.351 1.374 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)c1 1534302885 HIBCNIACSKRRJY-UHFFFAOYSA-N 440.504 1.885 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1538547628 NIEKTWWVTVUZDY-QHCPKHFHSA-N 428.533 1.964 30 10 IDEE Cn1nc(I)cc1C(=O)N1CCN(c2ccsc2C#N)CC1 1538933619 PTTAJYVFMPLOPX-UHFFFAOYSA-N 427.271 1.920 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1539402395 BJLVLMHUDUMZKO-UHFFFAOYSA-N 435.532 1.067 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)C2CC2)CC1 1539434605 PKEIHVNMJCKXBP-LJQANCHMSA-N 433.354 1.952 30 10 IDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1540006159 RDUZZGYKFOCEMP-MRXNPFEDSA-N 434.541 1.879 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)s1 1540769570 QPRNNSJPPRGZLB-UHFFFAOYSA-N 427.592 1.860 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](Cn2cccn2)C1 1540867684 DRGZUTSUUATOPW-INIZCTEOSA-N 425.468 1.488 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC)[C@@H](CC)C1 1540867796 IGBDYHTXAYFLQA-KRWDZBQOSA-N 430.528 1.933 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1540871101 DMPQINILUVSQLX-OAHLLOKOSA-N 430.534 1.108 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CN1C(=O)OC(C)(C)C 1559022996 GVOKFOURJOBVCQ-GDBMZVCRSA-N 436.534 1.741 30 10 IDEE Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2=O 1566231604 RCDWBJXVDBMKPD-CABCVRRESA-N 426.473 1.951 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CCN2C1=O 1566237563 GTHSNFNHSQSNFV-INIZCTEOSA-N 446.305 1.252 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 1566977416 JBUBIGQPRHNHAB-KGLIPLIRSA-N 433.933 1.842 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)CC1 1568911391 KOCDPQMCQQGDJW-KSFYIVLOSA-N 432.521 1.616 30 10 IDEE Cc1nc(CN2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)no1 1584990642 NACVWFRVLORSDY-UHFFFAOYSA-N 426.326 1.944 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1586810834 LQSFTYFGMUIMSC-HNNXBMFYSA-N 449.252 1.335 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1587847559 NLLAIGAMQCNDKP-OAHLLOKOSA-N 433.534 1.823 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588053252 BRTGDDSUMFFTAW-RTBURBONSA-N 446.577 1.394 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(CCc2cnccn2)CC1 1588071873 PPTPHFMAVTZWBP-UHFFFAOYSA-N 430.306 1.876 30 10 IDEE C#CCC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 1588765519 ISNBZVDNKJJPNE-INIZCTEOSA-N 440.949 1.788 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1589559917 VJKXKVURFDGQIL-XMSQKQJNSA-N 425.533 1.989 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1593625461 ZCQZWMSYPHIVSL-JKSUJKDBSA-N 444.540 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(CCOC)CC1 1595784561 IXEDEUAKQVODAR-UHFFFAOYSA-N 437.541 1.453 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCSC2)CCO1 1596632948 HHXVSUQTDIIPHR-MJGOQNOKSA-N 426.546 1.911 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc(I)ccc3F)C2)c(=O)nc1O 1607488061 FPXBSPPZSGDSFL-UHFFFAOYSA-N 440.172 1.261 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)COc2cccc(C#N)c2)C1 1611546234 LOQMMOASMNVALQ-QGZVFWFLSA-N 437.518 1.477 30 10 IDEE CC1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1611787889 HPKAVSRJPXLHMX-OAQYLSRUSA-N 429.546 1.993 30 10 IDEE CC1(C)CCO[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1611791152 XDHOWQLCRMEFHK-WMZOPIPTSA-N 445.545 1.892 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1613569336 GOVVEMKHYCMEJO-NRFANRHFSA-N 445.568 1.609 30 10 IDEE COCc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)cc1 1619660797 QZZUYWVFBWPMNZ-UFYCRDLUSA-N 427.505 1.926 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1620103986 JLHBLQBRFGXHGB-QGTPRVQTSA-N 449.533 1.528 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1620174897 WTHSWUXEPMYDJJ-MRXNPFEDSA-N 448.549 1.451 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1620178467 GVKHVSJKNMRKCG-GOSISDBHSA-N 430.534 1.719 30 10 IDEE CN1CCN(C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c2ccccc2)CC1 1627919793 VFBOQJJKHCYDTL-OAQYLSRUSA-N 444.532 1.841 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cn(C2CCC2)nn1 1628160525 UFEOZRMGJKEUDS-QGZVFWFLSA-N 430.534 1.917 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](CN3CCOCC3)C2)C1 1628942308 XKVDGAVJYVTEKB-OAHLLOKOSA-N 433.350 1.938 30 10 IDEE COc1cc(C(=O)NCC(=O)N2CCN(c3ccsc3C#N)CC2)cc(OC)c1OC 1629301409 HETCKGDUCZHQHH-UHFFFAOYSA-N 444.513 1.724 30 10 IDEE CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCN2C1=O 1629543290 OGJFUDBIWTYTFV-BBRMVZONSA-N 429.864 1.059 30 10 IDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C(=O)OC 1629617664 WODXNMQATNDUAR-QGZVFWFLSA-N 444.465 1.189 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1631315571 SNAPAOMRIMFKMP-HNNXBMFYSA-N 427.548 1.165 30 10 IDEE COC(=O)NC1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1633881164 GTWJEBPSXHFTGO-UHFFFAOYSA-N 436.534 1.633 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)CCn3cc(C#N)c(O)nc3=O)C(C)(C)[C@@H]21 1634836974 GUJJWDMXERVQJK-HYVNUMGLSA-N 445.520 1.751 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1636782443 JFTKLOJMZRLCTO-UHFFFAOYSA-N 438.507 1.799 30 10 IDEE COC(=O)[C@@H](Cc1ccccc1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1643596271 HRHKNFJPDMGGRP-YADHBBJMSA-N 438.503 1.908 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(=O)NC1CCN(CC#N)CC1)C(=O)OC(C)(C)C 1654304794 XZUPBHAXWBATNT-UHFFFAOYSA-N 439.557 1.852 30 10 IDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1657715486 IYQHWXDREDWPFL-HNNXBMFYSA-N 425.507 1.002 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCN(Cc3ccccc3)CCOCC2)CC1 1660343566 WXTKWTFSEVVTRB-DEOSSOPVSA-N 441.620 1.903 30 10 IDEE C#Cc1cccc(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1 1666431693 KTNVRPPJFWFYHV-SFHVURJKSA-N 447.538 1.455 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 1667313236 CRHZJYXNMATJFQ-UHFFFAOYSA-N 441.513 1.556 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)cc(Br)cc2C)CC1 1673387677 SLILICUGNKOSRC-UHFFFAOYSA-N 429.340 1.683 30 10 IDEE CN(C)S(=O)(=O)CCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1682841378 UPYXRWFCTVMJHE-OCAPTIKFSA-N 447.348 1.690 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(OC)CCOC2)c1 1689872142 PJLBUCLKEBAJBA-WZONZLPQSA-N 439.516 1.644 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1689999878 KMXAYQYCVJWVJD-HNNXBMFYSA-N 443.529 1.517 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690022390 CSHVYQWVUVLEIB-UHFFFAOYSA-N 436.516 1.630 30 10 IDEE C=CCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690652364 GGRMJIWWIOCUGA-QLFBSQMISA-N 425.555 1.858 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1691005214 YHUZKEDFMPDJHO-LSDHHAIUSA-N 428.559 1.022 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1 1692882120 ADJADCVLZOPFML-FQEVSTJZSA-N 426.456 1.842 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1694352634 CVMXCWNUFKDKQN-WMZOPIPTSA-N 431.541 1.184 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705569866 KSOCHXUYYGRYBC-OALUTQOASA-N 447.630 1.897 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](COC)OC 1705574893 RDPYORLDPYIFCY-KRWDZBQOSA-N 444.561 1.281 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1705588054 UEMBYNDONIXDDJ-HXUWFJFHSA-N 426.565 1.478 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1705598255 FNPZJIXFDMLBEK-AWEZNQCLSA-N 434.509 1.939 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705653889 RXZRISCBKWFJRO-NWDGAFQWSA-N 441.501 1.022 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1705658146 GGNJAJSCIYMVQW-UHFFFAOYSA-N 429.594 1.594 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705735124 JUAXGFQSLBTMHI-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705738483 ZFORHNPBDQPXGH-GOSISDBHSA-N 433.553 1.768 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1705786475 OWJXSTPFLAGDJY-GJZGRUSLSA-N 426.587 1.582 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705810089 NENUJYBRIQLHEL-UHFFFAOYSA-N 429.569 1.225 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1)C1CC1 1705853832 FXYGQZZZICYVRM-GOSISDBHSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 1705895076 SUYRZSMIVMQASY-UHFFFAOYSA-N 439.564 1.349 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705903034 OUXMPGIUILLBDO-INIZCTEOSA-N 444.496 1.768 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1Cc1cccs1 1705907721 VGHDNOMWCXBZNE-MRXNPFEDSA-N 428.562 1.976 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1705917887 YWECVHSIBLFYNY-MBSDFSHPSA-N 443.548 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705932444 DNARZKVBBSGGQL-FUHWJXTLSA-N 429.546 1.569 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705939269 BVLSLWHCLOXONH-LJQANCHMSA-N 448.637 1.982 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)CCO1 1708233968 FFGVVRLNKZNUNT-SFHVURJKSA-N 426.521 1.676 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1711218090 AQGQISJOBQKNMN-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1712648665 ZNPMNUFEFBCCCM-OKYOBFRVSA-N 435.525 1.317 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)cccc1C 1722295757 LUNPHYKDXVTMLZ-ICSRJNTNSA-N 445.589 1.928 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722371883 ZLJYZCIDKALBMP-RHSMWYFYSA-N 435.550 1.850 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OCC)c2)CC1 1722437527 UQSXILKLKSWQTD-GOSISDBHSA-N 438.532 1.440 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1722459640 OGOUZOPFLDKBOH-DLBZAZTESA-N 445.593 1.977 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1722618196 PXNWHLADPJUGFX-AWEZNQCLSA-N 426.568 1.670 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC(C)(C)C1 1722696500 ALOVXDFIOJYNBN-UHFFFAOYSA-N 447.565 1.156 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723585905 QQPWWTSSBZUFIA-PFANNTFUSA-N 429.525 1.425 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1723885983 GBESXHABCMCTDP-OAHLLOKOSA-N 446.533 1.528 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1727482117 CICVPDNIMACSET-IIBYNOLFSA-N 426.525 1.712 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1729100958 OSUNFGHQOJJNJN-HZPDHXFCSA-N 433.534 1.946 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)CC2)C1=O 1729564067 GANYFNQSJJPXKF-UHFFFAOYSA-N 425.493 1.900 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1731013199 CXYHYEKSZSJGJH-QGZVFWFLSA-N 444.561 1.761 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1731182577 YLEWWYHRQXVPMB-ZZEZOPTASA-N 435.513 1.896 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740588795 GUGXOIQAFSTPDT-IBGZPJMESA-N 438.507 1.673 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCNC(=O)OC(C)(C)C 1740601323 UTLOJHDOKREZSX-AWEZNQCLSA-N 428.559 1.263 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(OCCOC)CCOCC1 1740668963 GTQYQSZRNLUOJM-UHFFFAOYSA-N 445.520 1.678 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1740709061 ISCQOFYEBMSUAJ-HOCLYGCPSA-N 439.563 1.426 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(OCC)CCOC1 1740766172 GKERUUHXUOHUSA-KSSXRGRSSA-N 436.553 1.761 30 10 IDEE C=CCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740949622 NGLUDQJBGOQLSZ-XMSQKQJNSA-N 432.569 1.249 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CC(N)=O)CC1 1740963385 JJTVDSCMIXYRMP-UHFFFAOYSA-N 440.548 1.868 30 10 IDEE CC1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1741124498 FQFJRTVKAZJLKI-ZACQAIPSSA-N 425.603 1.605 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1741798004 CPFFYTNIALQVPQ-ACJLOTCBSA-N 436.358 1.851 30 10 IDEE Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n[nH]1 1742597744 RTBSDCUBBZWUHO-MSOLQXFVSA-N 433.520 1.829 30 10 IDEE CCN(CC)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1746158371 GOSFEVNNQYHRRH-SFHVURJKSA-N 446.577 1.809 30 10 IDEE CCOCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747309531 FOOYIKIHYCUEIA-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1)S(C)(=O)=O 1747845756 KEEXTQOMMDTBRF-QGZVFWFLSA-N 444.561 1.449 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(C)CN(C)C1=O 1748648000 WJGCEKDGJSSGHQ-LHSJRXKWSA-N 443.577 1.483 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](CC)C1 1748747080 CCJZOHZVRPBSFM-KRWDZBQOSA-N 428.537 1.966 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 1748751049 BEPVBIKIICGBDU-MRXNPFEDSA-N 438.579 1.426 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)c1ccsc1 1749489195 SBYGZSVSQJKLEB-YJBOKZPZSA-N 441.579 1.202 30 10 IDEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC1 1749592074 BGSFUQCRRPMWNR-UHFFFAOYSA-N 434.566 1.710 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749664007 VGRIAXKCKOILIO-HNNXBMFYSA-N 442.545 1.362 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N1CCOCC1 1749689552 GYZORVHNXOUCQM-UHFFFAOYSA-N 449.515 1.643 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1749736622 MLWJHKXJXOSRQW-QFIPXVFZSA-N 446.573 1.774 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(Cl)cn1 1750005250 ACAIGSWBCNCDGL-HOCLYGCPSA-N 436.900 1.858 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1750059507 AOARIPVJMNPKGZ-ZDUSSCGKSA-N 427.900 1.634 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 1760154927 MAUXIHMRIYYJSM-LJQANCHMSA-N 447.561 1.669 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1760247615 IKPQVDOFMPQUQU-UHFFFAOYSA-N 436.516 1.761 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760353042 FGZONPGFAOBBFA-MRXNPFEDSA-N 434.518 1.890 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760356435 NHDQHZHWMYLOKV-GOSISDBHSA-N 441.598 1.973 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1760660823 GWCHHCPCZKCDRT-LJQANCHMSA-N 449.519 1.373 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(F)(F)F 1761235894 OLWCTPRDNGOUPC-AWEZNQCLSA-N 429.447 1.519 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1761356166 ANVSRSFRGAGJOV-QGZVFWFLSA-N 439.568 1.690 30 10 IDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)COCCO1 1761569020 ARUWOIDPLFXPJH-NQIIRXRSSA-N 445.545 1.636 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC=C(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764141942 NPXRXFBBZJTPOU-CZIZESTLSA-N 441.536 1.879 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1767713307 QSLJIZSSKMEMCG-HOTGVXAUSA-N 432.431 1.192 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1769034186 BWFDXQQACGNGQM-UHFFFAOYSA-N 443.533 1.562 30 10 IDEE COc1ccccc1OCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O 1770511514 FMUCGYCVGNUVNZ-FQEVSTJZSA-N 448.549 1.545 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1770757291 VLEAEFYOLHOIII-GJZGRUSLSA-N 429.493 1.734 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1771081951 YPTIYJHZPMPKAB-HXUWFJFHSA-N 435.536 1.828 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1771268353 JQQXGBIHAHDRTO-MOPGFXCFSA-N 440.504 1.805 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)CCO1 1771536879 DGFOCKZGJYCDIR-FZMZJTMJSA-N 436.394 1.747 30 10 IDEE CC(C)[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NCC#CCN1CCOCC1 1851728457 LGMIOTWJYPXWRD-GOSISDBHSA-N 427.954 1.095 30 10 IDEE O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1853334284 MXPKUKZPDOIBPG-UHFFFAOYSA-N 437.337 1.999 30 10 IDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1854467908 JSWJPLMVZNLOHR-KRWDZBQOSA-N 425.938 1.740 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@H]2C)cc1 1854693096 UQBHGJMAYOJQHZ-OAHLLOKOSA-N 427.482 1.937 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(C)c(OC)cc3C)C2)CC1=O 1856788120 WMHWSHGEIHUUCB-JKSUJKDBSA-N 438.502 1.194 30 10 IDEE C=CCC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC3CCCC3)C2)CC1=O 1856842854 YRMSDBLNVKEELS-IEBWSBKVSA-N 425.595 1.854 30 10 IDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1F 1870155281 FMYNKXUQTGNEQV-UHFFFAOYSA-N 449.358 1.729 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN1CCN(CCO)CC1 1870708204 YPTNBOYDAJYTFH-UHFFFAOYSA-N 440.544 1.470 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1993341237 CQFQDSAHPPWIFL-LSDHHAIUSA-N 426.514 1.624 30 10 IDEE CC(C)(C#CC(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1993920948 JZJMGXKPZKPPPN-LSDHHAIUSA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2023958573 FPEIUMGAFDYMRI-UHFFFAOYSA-N 427.361 1.824 30 10 IDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060628666 ZUBYSIDJGRYYRK-CQSZACIVSA-N 436.318 1.644 30 10 IDEE C[C@@H](c1nscc1C#CCN)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130022069 PVAANKUUVNEFSK-ZDUSSCGKSA-N 432.527 1.072 30 10 IDEE C[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N1CC(NC(=O)OC(C)(C)C)C1 2131758836 XDYSLBNFXQVJSS-ZDUSSCGKSA-N 447.345 1.312 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2247914356 JUFNKBBRORKWRR-HZSPNIEDSA-N 426.319 1.070 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626282 DIAJPUKRAASPSP-ASSNKEHSSA-N 432.330 1.838 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255823356 UEDZVBTVOYWHQZ-KBPBESRZSA-N 434.346 1.847 30 10 IDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1 2256595962 RUEIDQRZZQJUHD-CQSZACIVSA-N 436.318 1.562 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256624497 NNJGXVXTHJZNQJ-OAHLLOKOSA-N 436.314 1.819 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 2267181858 YLHJPAGFDLGBIU-QFIPXVFZSA-N 446.357 1.945 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)n1 2267189406 ZWGKWLPFLLTWCT-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(CNC(=O)OC(C)(C)C)CCC1 2267271797 UJETZJMAPOTXKU-UHFFFAOYSA-N 449.361 1.539 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2267285538 JVFZPRZSIKNYTN-RKTXRCNFSA-N 447.341 1.724 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267590833 UGDMTPSTOVNNRB-HNNXBMFYSA-N 449.357 1.681 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 2267597166 ORHHDJLJZLCFEA-DEOSSOPVSA-N 439.365 1.691 30 10 IDEE C=CC[C@@]1(CO)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2287684899 AMGBQQADPANDFK-FXAWDEMLSA-N 440.518 1.346 30 10 IDEE COc1ccccc1[C@@H]1C(=C(O)c2c(C)n[nH]c2C)C(=O)C(=O)N1CCN1CCOCC1 2296625817 QDQNHQGJYTWSKU-HXUWFJFHSA-N 440.500 1.789 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2337194340 LBTPNEUDJWQERY-SOUVJXGZSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2352403142 JJLFOUSYTAVORZ-UHFFFAOYSA-N 444.301 1.198 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 27559632 JIINOVHNJZXHKJ-SFHVURJKSA-N 425.489 1.470 30 10 IDEE COc1ccccc1C1=C(N2CCN(CCO)CC2)C(=O)N(c2ccc(C#N)cc2)C1=O 170062885 WMDAEZIPFSNVRA-UHFFFAOYSA-N 432.480 1.461 30 10 IDEE NC(=S)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc2c(c1)OCO2 254834351 DVRNLHRMJVKRNN-INIZCTEOSA-N 442.413 1.243 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 429552939 ZVPKSXDWQPIASY-UHFFFAOYSA-N 430.896 2.498 30 10 IDEE CC1(c2cc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)no2)CCCC1 435319267 KQIAXIRAXHVYKM-QGZVFWFLSA-N 435.484 2.234 30 10 IDEE CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 442958103 QQGHLSNRGKAHQT-UHFFFAOYSA-N 435.527 1.698 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460566531 KXBGBJFXDFRASJ-UHFFFAOYSA-N 445.549 1.506 30 10 IDEE CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 478869524 MFQWQEJIIQVLNU-IBGZPJMESA-N 437.565 1.823 30 10 IDEE C[C@@]1(c2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 480865279 JSPVUBNWHVITCB-JTSKRJEESA-N 449.492 1.767 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 481744954 OOYGSYYTHBTRJW-HOCLYGCPSA-N 428.518 1.558 30 10 IDEE C=CCN1CC[C@H](N(C)c2cc(C)nc([C@@H](C)N(C)[C@H]3CCN(CC=C)C3=O)n2)C1=O 500008443 BITCXEJCLWCGPN-QYZOEREBSA-N 426.565 1.788 30 10 IDEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)c4ccc5nc(O)[nH]c5c4)CC3)n2c1 506128212 BEKJVWWZUPSHJA-UHFFFAOYSA-N 437.485 1.294 30 10 IDEE Cn1cc([C@H](CNC(=O)Cc2cccc(C#N)c2)NC(=O)Cc2cccc(C#N)c2)cn1 533560880 ZTDHEEMGLHIPBG-QFIPXVFZSA-N 426.480 1.922 30 10 IDEE C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 549683777 PDPAFAFPGVVLJT-VWLOTQADSA-N 449.603 1.935 30 10 IDEE COc1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 550125485 RIXMYORRRDPKPM-KUHUBIRLSA-N 438.459 1.800 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC2)CC1 555494580 LSLIHXKZIVNVDD-QGZVFWFLSA-N 436.520 1.144 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccccc2)c1=O 556785801 QHKLMRQEIGTDLZ-UHFFFAOYSA-N 433.537 1.126 30 10 IDEE N#Cc1cccc(C(=O)N2CCC[C@@H](NC(=O)CCN3C(=O)c4ccccc4C3=O)C2)c1 586025415 ZRLAQDSFPSFXQD-GOSISDBHSA-N 430.464 1.965 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 588172005 UFWHHNRHKPCJNO-QGZVFWFLSA-N 437.541 1.301 30 10 IDEE N#Cc1c(CCCNC(=O)NCCCN2CCCC2=O)nn(-c2ccc(F)cc2)c1N 603744862 YICIVJXEVPZOLT-UHFFFAOYSA-N 427.484 1.710 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 603798385 KVRXMJCQPOFYCI-QGZVFWFLSA-N 427.501 1.353 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 603990221 SXMGERCCMMDJSM-CYBMUJFWSA-N 448.526 1.088 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC(C)C 730137684 HACPJLUOISELEP-QGZVFWFLSA-N 449.577 1.219 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CS(=O)(=O)NC(C)(C)C)n1 731784485 VREDQFZNBNTGLK-UHFFFAOYSA-N 430.581 1.457 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(F)ccc1I 732153190 GFVUAOODCTXVLW-FYWRMAATSA-N 429.189 1.687 30 10 IDEE CN(C[C@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1)C(=O)OC(C)(C)C 732464784 AELKTGASAYTQKP-ZDBRSUKYSA-N 435.525 1.801 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccc(OCC#N)cc2)[C@@H](C)O)cc1C 733375831 JKXLFWSJBWQWOV-UZLBHIALSA-N 432.498 1.977 30 10 IDEE C[C@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 734601240 PXWSSMDWXWBCMQ-AWEZNQCLSA-N 444.469 1.158 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1CCN(c2ccccc2)C1 741339987 CLJHORDQSGLKNH-YIYXVTKBSA-N 426.473 1.089 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 744013762 BKJCKKSDQOGHIS-UHFFFAOYSA-N 431.558 1.899 30 10 IDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 763882089 AZTFQHKYYYPOSR-UHFFFAOYSA-N 430.486 1.966 30 10 IDEE C[C@@H](CC(=O)NCc1cccc(N2CCOCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 774019658 YZTMMDKDTLXTSA-HNNXBMFYSA-N 443.529 1.052 30 10 IDEE N#CC1(c2ccc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)CC1 777174934 WVCWEDMBOPNFHL-UHFFFAOYSA-N 427.482 1.405 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2ccccc2F)c1=O 782605841 UUKJNMILCGTVBW-UHFFFAOYSA-N 430.262 1.561 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)n1 788654179 LWUADYYNODKXRT-UHFFFAOYSA-N 449.508 1.777 30 10 IDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(CC(F)(F)F)CC1 792446175 XPRKKKYVQRAXHW-GFCCVEGCSA-N 432.468 1.504 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 799076442 VHINGRGZLCZITG-GOEBONIOSA-N 429.336 1.493 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)nn(C)c1C 802574047 BBOYBAKDPQZOCS-QGZVFWFLSA-N 437.570 1.174 30 10 IDEE C=CCC1(S(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 810984062 QLUVTZGIHIFARU-UHFFFAOYSA-N 428.532 1.184 30 10 IDEE N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 811251044 BNDJDMYNDRQFGK-NTEUORMPSA-N 440.481 1.255 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCOC1 812418940 ZLNLRPKDNADLFK-IXDOHACOSA-N 448.524 1.352 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)n(C)c1 916777454 CGNAQSSDGBTKAI-UHFFFAOYSA-N 438.531 1.187 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)C1=O 1128209690 XJTLJKANJDPUHU-LJQANCHMSA-N 449.463 1.607 30 10 IDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1132451696 IPMYUPIOQZJHPP-SFHVURJKSA-N 435.502 1.348 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3csc(C)n3)CC2)s1 1136134501 RTDBQSPENSVPLC-UHFFFAOYSA-N 440.616 1.864 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 1137647843 QQWSBJMMFFYQSG-CVEARBPZSA-N 427.509 1.468 30 10 IDEE N#Cc1cn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)nc1O 1157813222 BQFCDOMYZNQOJF-OCAPTIKFSA-N 446.254 1.450 30 10 IDEE COC(=O)CCN1CC[C@@H](N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1168940087 DLWYPHGWXUOZQQ-QZTJIDSGSA-N 449.349 1.795 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1171490926 QYVNALGZJXXOPH-LJQANCHMSA-N 431.558 1.457 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OC 1213735034 HTLJCTIEIRKOLR-VIFPVBQESA-N 427.264 1.201 30 10 IDEE N#Cc1nc(NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1Br 1219696696 HEFCFSSEZWBMSF-NSHDSACASA-N 428.312 1.748 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1227478341 AAUZVECQHRXDFE-PBHICJAKSA-N 426.495 1.496 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1286292343 HUWMBAXCFMEPMG-OCCSQVGLSA-N 436.563 1.036 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCc1ccccc1 1286375941 AVLNLVHRGSPJFC-IBGZPJMESA-N 431.562 1.703 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286391993 GTLKFESFIGSNTH-RTBURBONSA-N 429.546 1.437 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286468540 AHSZAOZFDJTTQG-QGZVFWFLSA-N 437.591 1.440 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)Nc3ccccn3)n2[C@H]2C[C@H]2C)n1 1286469644 KXNGQPBUUDBIKX-AEFFLSMTSA-N 434.504 1.989 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NCC)CC1 1286473841 YPDQFZWLBNNLIU-HSZRJFAPSA-N 446.596 1.236 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286560816 JCIJPYBFTWSZHO-SCTDSRPQSA-N 446.577 1.791 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(N)=O)C1 1286799614 XQYWEARAZZHCCZ-SFHVURJKSA-N 438.532 1.715 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2nnc(C)s2)C1 1286812913 PWNLHQBUCPDSAN-MRXNPFEDSA-N 431.566 1.975 30 10 IDEE CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 1286855087 CSVKQMVEQBCHSM-GOSISDBHSA-N 434.566 1.179 30 10 IDEE N#C[C@H](NC(=O)COc1nsnc1N1CCOCC1)c1ccc(Br)cc1 1290675584 LXTINIKTSUDKGH-ZDUSSCGKSA-N 438.307 1.897 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccncc2)n1CCCCCO 1291194573 ACIJKBVHTZWSQO-GOSISDBHSA-N 447.547 1.803 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C#CCO)c1 1294302242 CDVKOQYXPVLFRC-UHFFFAOYSA-N 444.509 1.702 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1297681403 XKFCCOCCOLYDGV-HXUWFJFHSA-N 433.534 1.493 30 10 IDEE CN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1298004940 GQJYPWATMZJMPA-HXUWFJFHSA-N 431.500 1.802 30 10 IDEE CN(c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1298144043 ZGJWTZIHGXVDDL-KIJUOZEOSA-N 425.518 1.808 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCS(=O)(=O)C1 1300441490 PSZBUECBPLNTSH-OAHLLOKOSA-N 445.364 1.388 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1300492980 PWYPGSQQOXRJHB-QGZVFWFLSA-N 426.477 1.549 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C(CC)CC)no2)CC1 1300698156 OTNDBFOIPPDKSP-SFHVURJKSA-N 425.537 1.924 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)CCOC)CC1 1300703716 QMOIDCFDYUEOHD-HSZRJFAPSA-N 427.549 1.420 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(=O)NCCc1ccccc1 1300779583 YBIUESHSPWRQHU-XMMPIXPASA-N 434.544 1.865 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301173032 BJHBFBPJDHVKDN-PXNSSMCTSA-N 440.614 1.546 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1301252828 RDGNZBKSYBHADU-SFHVURJKSA-N 430.553 1.803 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H](C)O1 1301358506 CHKMIQYKOYHGIP-WIYYLYMNSA-N 440.548 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1C(C)(C)C 1301596302 KSVLBXYJGQZZKT-INIZCTEOSA-N 426.583 1.951 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304911502 LLCDKNMKMFUODA-VVQLZHPYSA-N 429.525 1.425 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1306044468 ACCHKIWIDWHCJU-HUUCEWRRSA-N 433.582 1.825 30 10 IDEE CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1306468393 WGDZKHRCBLOKEP-KJPDOMRESA-N 444.565 1.448 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)ccc2OCCOC)cn1 1309664048 AEIMIRQELXXCPG-UHFFFAOYSA-N 428.308 1.783 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1316277721 ZGHJQWIEUZDZHI-JCXSCKIOSA-N 444.536 1.765 30 10 IDEE N#CC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1316534577 HIWPPHKDBKNXER-IBGZPJMESA-N 435.937 1.888 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1358939042 OTGUVAXVODDFTD-KRWDZBQOSA-N 441.561 1.809 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1358948071 SYNJXAIXMRDRKW-VGSWGCGISA-N 432.569 1.529 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358961834 FZAVXNYHJQIKKN-DLBZAZTESA-N 449.577 1.063 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1359010166 IRRBOKBSVBAHTB-HTAPYJJXSA-N 448.568 1.113 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359022931 REISQVJWSFLKOB-UHFFFAOYSA-N 430.509 1.653 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1359114163 ZYHBHODKOBSGCF-GOSISDBHSA-N 425.599 1.695 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)C(=O)C1 1359126768 YQEZWESKWRSMBB-UHFFFAOYSA-N 425.493 1.329 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)C1 1359313239 JBJBZQFABPXWDX-LSDHHAIUSA-N 429.612 1.955 30 10 IDEE CC(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1360401835 FLCRYUMVGYUFHG-SFHVURJKSA-N 441.511 1.992 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2cccc(C#N)c2Br)C1 1439001214 ROJYJXRLFIWKBU-UHFFFAOYSA-N 449.305 1.882 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)s1 1448075825 FARHTTUWQXSLQZ-NSHDSACASA-N 439.481 1.282 30 10 IDEE C[C@@H]1COCCN1C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1450520725 DDIUZMLRXGINOI-UZLBHIALSA-N 439.516 1.475 30 10 IDEE N#CCCn1cc(C(=O)N2CCN(CC(F)(F)CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1452572022 MWZPXBLKZOROEE-UHFFFAOYSA-N 448.430 1.757 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)CC1 1455115294 NOBNZPFVYNBBHM-QZTJIDSGSA-N 446.573 1.165 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N2C(=O)CCC2=O)cc1 1457210222 GRBYWZDBCSECRH-UHFFFAOYSA-N 426.454 1.407 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2ccnc(N3CCOCC3)n2)c(=O)c1C#N 1457781734 VLRABHRISJTZLA-UHFFFAOYSA-N 433.266 1.110 30 10 IDEE O=C(N[C@@H](CO)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccc(F)n1 1464380999 MQKQGKSDNIEJNJ-KKZNHRDASA-N 431.308 1.901 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OC 1468872954 MDRZEMADJKKVMZ-UKRRQHHQSA-N 428.894 1.092 30 10 IDEE C#CCN(C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1CCN(C)CC1 1470062608 SONKADZRGUJDKP-FQEVSTJZSA-N 444.551 1.582 30 10 IDEE C#CCC1(O)CCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1471525651 DZTJOQURUXQYPG-UHFFFAOYSA-N 428.551 1.178 30 10 IDEE C#CCNC(=O)CCN1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1473623283 NJQWEGIXOSBYEN-HOCLYGCPSA-N 429.414 1.810 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC[C@@H]12 1479611503 IYGDEJZGRCLKNJ-BWMZKYQQSA-N 438.550 1.498 30 10 IDEE CC[C@@]1(C)CCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1497575515 NXIYCGAANCYAOE-SQJPUDIVSA-N 441.536 1.553 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1504648084 WCMWHJMBVYOLOQ-SFHVURJKSA-N 435.488 1.588 30 10 IDEE COCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504760991 OZQAFNMNUKRNRC-QHCPKHFHSA-N 449.515 1.586 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1507631525 QJMBEEGHWCYTSX-SFHVURJKSA-N 449.621 1.672 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC(C)C 1507656829 KQOXHHWWSNPAKN-UHFFFAOYSA-N 438.557 1.682 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCC[C@H]2CC)CC1 1507725910 CUXUPXMSMDAJDA-HXUWFJFHSA-N 427.597 1.420 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507831584 ALXYUGUQVXDHLV-MOPGFXCFSA-N 436.626 1.361 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO[C@H]1C(C)C 1507983598 QWCSHNOAKLHUIY-BZSNNMDCSA-N 441.598 1.684 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)C1 1508107516 CZCVLAMQWXWJQW-VQTJNVASSA-N 445.612 1.321 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)C)cc1C 1510940999 HKIIIXPGRTWXHF-GOSISDBHSA-N 439.520 1.648 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1515794968 AHJGMAYKFBVSOD-INIZCTEOSA-N 426.506 1.100 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519053862 MEEJFEOQIVKFSP-QFIPXVFZSA-N 448.575 1.962 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1Cc1nnc2n1CCC2 1519166004 DMZOVNNBWHQVKD-UHFFFAOYSA-N 427.900 1.946 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1O 1520645497 LAVKUZQBVYFROO-FYINFDKHSA-N 429.546 1.804 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)C1 1521056959 SYTGBMQOWNSGRX-UWJYYQICSA-N 433.532 1.193 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1535344711 GUVDCEDDFJLMAQ-KUHUBIRLSA-N 425.844 1.783 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)C2=O)cc1 1536971246 DLXTYTODBYUMAF-OAQYLSRUSA-N 432.480 1.956 30 10 IDEE N#C[C@@]12CN(C(=O)c3cn(-c4ccc(Br)cc4)cn3)C[C@H]1CS(=O)(=O)C2 1538308745 RPLILAKSMFAKDT-SJCJKPOMSA-N 435.303 1.645 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCOCC1 1540064210 OAKPNNWBMRHORJ-UHFFFAOYSA-N 447.565 1.143 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1540169253 ARZSOPFJXGIQNG-VQIMIIECSA-N 425.555 1.359 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc2ccccc2s1 1540869432 MTVKGCOWXLCLNM-AWEZNQCLSA-N 425.518 1.778 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1540870804 XKSNYJNXTAQTTF-MRXNPFEDSA-N 429.569 1.027 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1540874680 OFNQWDBNKJHONS-QGZVFWFLSA-N 426.521 1.560 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1540886794 JRDLSKJUWGNLED-GHTZIAJQSA-N 448.545 1.285 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1542686101 HGPKIFZXECQYBL-HNNXBMFYSA-N 438.410 1.573 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1548281141 TZCYDPBBOIXQNE-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE COCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1555688086 SQVQCKOVSZORCQ-MSOLQXFVSA-N 428.493 1.369 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1555991991 CKRKSBJDIHRYQN-CABCVRRESA-N 431.294 1.715 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)[C@@H]1CCC[C@@H]1C#N 1560060310 KFBYRNGLXDVXNC-RDTXWAMCSA-N 442.944 1.936 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2=O)C1 1565246620 FXZKRUWLZWZGFD-QZTJIDSGSA-N 439.516 1.545 30 10 IDEE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCCN(O)C1=O 1569676169 OIXACIVHBHIZDT-OLZOCXBDSA-N 429.260 1.695 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)C2)nc1 1569817872 FWEXIAHPKCZLKS-YOEHRIQHSA-N 441.875 1.260 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCCC#C[Si](C)(C)C)cc1C 1584150720 WDXSGNYOGDOPRD-SFHVURJKSA-N 437.638 1.603 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1588068920 CEIOHFNSRPNAFO-SFHVURJKSA-N 430.578 1.957 30 10 IDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)COC)CC1 1593712147 TVDMHGKAMITMJE-UHFFFAOYSA-N 429.521 1.841 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)C1 1595664402 CYYVLEDBDWAIDP-RTBURBONSA-N 432.569 1.142 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC 1595778386 YZKGRIFOFWQXMQ-QGZVFWFLSA-N 433.534 1.269 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1595823855 TUEJQCGEBZVYSN-KRWDZBQOSA-N 435.481 1.326 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccccc3F)C2)nc1 1596976576 AAMPDMMJYTZTEI-INIZCTEOSA-N 431.493 1.864 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1noc2c1CCCC2 1611676998 HFPSQPFPRQJQAT-CYBMUJFWSA-N 433.538 1.543 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1612653922 ORNXUTQGSJADMT-OAHLLOKOSA-N 433.472 1.393 30 10 IDEE N#C[C@@]12CN(C(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)C[C@H]1CS(=O)(=O)C2 1617488000 VJOVUPMQCPXEPI-SJCJKPOMSA-N 440.312 1.644 30 10 IDEE COc1cccc(OCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1619377847 NTWNZMKRTPALAC-IBGZPJMESA-N 440.504 1.607 30 10 IDEE CO[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619501413 NOSHPXQTPAHZPU-QBEKEKFNSA-N 437.504 1.406 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(O)(c3ccc(Br)cc3)C2)cc1 1629540123 PSGACPKHDQQOFN-UHFFFAOYSA-N 449.326 1.966 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1632083931 VPKZIUIVQCDCRJ-MRXNPFEDSA-N 444.963 1.931 30 10 IDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cn(CCCC#N)c2ccccc12 1633996881 AFSWHPPGWOTZCQ-IBGZPJMESA-N 426.473 1.465 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCC(Nc2ccccc2C#N)CC1 1634240581 MVFPXVUXLOVLKM-UHFFFAOYSA-N 444.513 1.940 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)c1 1635785548 ATNNRXVJLDJZAZ-NDEPHWFRSA-N 439.555 1.400 30 10 IDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1636986723 GKUNOVFPFOJLNA-UHFFFAOYSA-N 431.942 1.957 30 10 IDEE Cc1cc(O)nc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1 1644865028 FHMWXAZYWBJXDF-UHFFFAOYSA-N 429.521 1.790 30 10 IDEE CCc1noc([C@@H]2CC[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1648264244 RAWQTKQDORJXDV-KGLIPLIRSA-N 431.518 1.903 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(cnn3Cc3ccccc3)c2=O)c1 1653141707 PADRYDNBWRVMCJ-UHFFFAOYSA-N 426.436 1.971 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccn(CCN3CCNC3=O)n2)ccc1OC 1664793845 IEAGUQIHTKJJFH-MRXNPFEDSA-N 441.492 1.920 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCC(C)C)c(F)c2)CC1 1673162838 BFSGTUQPZMMJEM-UHFFFAOYSA-N 426.514 1.868 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OCCC)c(OC)c2)CC1 1675795821 HEEGKVKEDCVHQF-MRXNPFEDSA-N 438.550 1.340 30 10 IDEE COCC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1682545768 GMNKRNSYKBFNLC-OAHLLOKOSA-N 439.394 1.916 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(SC)c(C#N)c2)C1 1687594616 DUACWCXACJOBBT-KRWDZBQOSA-N 440.591 1.862 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689983774 HCZJXSJXXDIQGQ-YLJYHZDGSA-N 432.571 1.440 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690007890 MYUNPXWEQDOPIQ-QHCPKHFHSA-N 440.569 1.865 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1690055624 YIZPCKGXTWDZMA-UHFFFAOYSA-N 433.509 1.351 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)CC1 1690133409 FSHVSMAGUDKZOX-UHFFFAOYSA-N 444.580 1.800 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1690171268 YOEBKUGQKLQXAA-IAGOWNOFSA-N 432.594 1.728 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690202708 BNGXNYXDZDUBIF-AUSIDOKSSA-N 438.580 1.613 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H](C(N)=O)C1 1690675640 AFYGPUGCSYBGDS-KRWDZBQOSA-N 426.521 1.423 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnc(C(C)C)nc1 1690723663 XXBLTXHMALXHGD-MRXNPFEDSA-N 447.565 1.380 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1695508702 LBKOOBBFGLLBLQ-HXUWFJFHSA-N 437.548 1.802 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698493193 PBNNTXJZGIFEGH-UYAOXDASSA-N 449.490 1.476 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1705516415 ASHDMCKDJAYIGV-FQEVSTJZSA-N 449.621 1.532 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1705551277 KPDNKVPMRFEFIN-QFBILLFUSA-N 443.573 1.826 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705571457 ZORRCLJVSUGDHW-JXFKEZNVSA-N 447.586 1.035 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)COCC3)CC1 1705634805 JPLIHBNFYGGSLA-LJQANCHMSA-N 439.560 1.878 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCN2CCOC[C@H]2C)CC1 1705641427 FITBOVIWYAYIIW-JOCHJYFZSA-N 436.604 1.929 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OCC)CC1 1705652350 WOOVKNKNMAQLDU-UHFFFAOYSA-N 436.582 1.841 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705824487 RERPQONCDIHDFQ-ZCNNSNEGSA-N 446.596 1.711 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1705834166 FMRNOJIVRVHVFE-CQSZACIVSA-N 433.513 1.884 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705899601 ZNWWLJXYQUHZCU-LSDHHAIUSA-N 430.534 1.377 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705927677 DHEHRPFDOCEZJW-GASCZTMLSA-N 445.536 1.842 30 10 IDEE CC[C@@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1708335061 POHWJWMMPVWXKC-KGWSRGFLSA-N 434.541 1.939 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N(C)C1CC1 1709191698 HBZZXMJEXSRZFL-OXJNMPFZSA-N 437.548 1.926 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1712094105 APBRKAWCTPLMMG-SFTDATJTSA-N 440.548 1.637 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@@H](C)CC 1722376750 BQDNIXPRCQBFBM-KRWDZBQOSA-N 431.504 1.298 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)n1 1722428577 YCSQDFWZXICYIT-SFHVURJKSA-N 441.580 1.973 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2csc(CC)n2)CC1 1722433046 JRNBRKMEWYUBQI-NRFANRHFSA-N 430.578 1.753 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)CC1 1722438834 DHYAFJBYNYJGNK-UHFFFAOYSA-N 434.519 1.819 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1722504791 PKLASWRCWDKBPT-NSHGMRRFSA-N 427.553 1.788 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1722527549 NCCBUAISWPPIID-UHFFFAOYSA-N 432.504 1.265 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCOC1 1722688851 MXQYGFNZXRIWIX-ZDUSSCGKSA-N 437.342 1.821 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(c3nccc(OCC)n3)CC2)nnc1C(C)(C)C 1722703466 AHUVYCPVTPSBJM-UHFFFAOYSA-N 442.568 1.783 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722725292 IJQOAJVEQZOYLZ-QGZVFWFLSA-N 444.561 1.436 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722738264 DSCYNTXTEFSFQZ-RLLQIKCJSA-N 448.637 1.690 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1722750181 LMDWKLXCLNDQKC-CQSZACIVSA-N 437.953 1.866 30 10 IDEE CC(C)NC(=O)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1723651294 FDYIYVGWKKVXSD-HNNXBMFYSA-N 425.541 1.477 30 10 IDEE CC(C)OCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1723715227 HVYMOZIPONULGN-CVEARBPZSA-N 428.559 1.164 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1726798684 FNQJGMTUWDTLBA-HTAPYJJXSA-N 443.552 1.756 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1728794072 DYKMMZJYWNXFBM-LEWJYISDSA-N 443.483 1.774 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[S@](=O)C(C)(C)C 1729069720 JQOFDBBDQACMIM-HKBQPEDESA-N 445.593 1.955 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1729764341 AYNAIKCGKKYBAM-UHFFFAOYSA-N 438.488 1.065 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1740550142 PHZJQWVNGIEWBW-QWHCGFSZSA-N 426.468 1.847 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740619852 AESGGDUGQILTDW-OAHLLOKOSA-N 445.574 1.693 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740620645 GCBCHGQPTQUMLW-ZWKOTPCHSA-N 428.562 1.451 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)CCC(C)C)CC1 1740692616 NDPYGKUJEKAGND-DHIUTWEWSA-N 433.597 1.873 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)NC2CC2)CC1 1740698842 XFGOHWYINRKZSW-UHFFFAOYSA-N 437.504 1.667 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2c(C)noc2C)CC1 1740709365 FTRSWNZPXWWPDC-LJQANCHMSA-N 426.521 1.943 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740712240 AQORRXFWVVERTI-UHFFFAOYSA-N 430.559 1.265 30 10 IDEE C#CCSCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740724255 ZOXRCODGBVPJOT-RXVVDRJESA-N 435.594 1.206 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740726945 UOJJTZJVGDDSIV-RTWAWAEBSA-N 425.514 1.358 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1740764418 FBPZZKWPEMTUBV-FKSLSLAPSA-N 433.553 1.685 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740786913 SNOOZPYNAULLNP-RDJZCZTQSA-N 427.571 1.438 30 10 IDEE C=CCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949942 ZNCGKVDSIJCQNA-OWCLPIDISA-N 431.541 1.791 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740992717 MLIMZOIXJBLQGA-CEXWTWQISA-N 431.562 1.726 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C 1740995398 KCUOWCKVTUTMSI-UHFFFAOYSA-N 425.599 1.477 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1748652094 WRQDGEUFVBTLIW-RHSMWYFYSA-N 432.506 1.735 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748815273 OBTNXTSDWZZFNE-UFYCRDLUSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1N1CCOCC1 1748824697 IBSGKFBNDIXZGB-UHFFFAOYSA-N 432.528 1.472 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC1 1748993459 YOWRCQHVIRAWCT-PZJWPPBQSA-N 427.524 1.815 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749033992 UFCBFEBXJUMMGY-INIZCTEOSA-N 444.561 1.677 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@@H]2CCCCO2)CC1 1749303281 HCOZBMNGWYHQQW-ZWKOTPCHSA-N 439.582 1.727 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCC[C@@H]1NC(=O)NC1=O 1749550989 OFORBZMHHGYKDR-HNNXBMFYSA-N 438.517 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 1749666481 MIEFZCCHGRGFPM-UHFFFAOYSA-N 446.515 1.624 30 10 IDEE NC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750392957 GJTQVLPLINRZQO-JIQGDJCJSA-N 435.488 1.173 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1751827508 DZZQTHFWESVGGD-AEFFLSMTSA-N 441.584 1.362 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1752269942 BTPJTMBFAOPADL-HNNXBMFYSA-N 433.520 1.878 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@](C)(O)CCOC)c1 1760126480 ZXUIAWXFYMKTFM-HSZRJFAPSA-N 449.515 1.579 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760189337 HYCYCENNNXYZLQ-NQIIRXRSSA-N 431.562 1.442 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1760194891 SDDTXAWAMAJQDI-QGZVFWFLSA-N 440.573 1.392 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1760233240 SJTJHLWOYAMTPY-UHFFFAOYSA-N 433.516 1.710 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1760233330 KWCKCRYZWIFHTG-HOTGVXAUSA-N 427.596 1.356 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1760252691 IQPVVZDFMORINC-MRXNPFEDSA-N 444.561 1.270 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1760269579 LWJONCNWDLGPBG-KRWDZBQOSA-N 446.552 1.273 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1760312680 CEBWPKBORRMVMN-AEFFLSMTSA-N 430.553 1.504 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1760494354 UYXIKWGVFFJLHB-DYESRHJHSA-N 432.594 1.616 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)c1nccs1 1760514486 HFDGPUHGILGPMF-CQSZACIVSA-N 440.533 1.924 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760569305 KMKRTAGVPZCQFR-UHFFFAOYSA-N 449.625 1.904 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1761550230 NEXKZKGTLONSNT-OXJNMPFZSA-N 446.458 1.855 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCS(C)(=O)=O 1769819715 OMZXVZGJZBWLKR-LJQANCHMSA-N 447.561 1.741 30 10 IDEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)cnc2OCC)cn1 1852081899 PBLPYVFIEURMCI-UHFFFAOYSA-N 443.529 1.435 30 10 IDEE COCCn1c(C(=O)N(c2ncccc2C#N)C2CCC2)cc2c(=O)n(C)c(=O)n(C)c21 1852659624 CGKSSYJYISGAPK-UHFFFAOYSA-N 436.472 1.151 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)n1 1852983725 RLQSOSORTUBOCJ-KRWDZBQOSA-N 440.529 1.098 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)[C@@H](C)C2=O)CC1=O 1854614735 KEJABPDZTOGKRB-UONOGXRCSA-N 439.921 1.123 30 10 IDEE N#Cc1cc(C(=O)N2C[C@@H](C3CCN(C[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)ccn1 1855075888 USTBVGKEQDYGFC-QAPCUYQASA-N 430.530 1.089 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc3O2)CCN1S(=O)(=O)c1ccccc1C#N 1855734835 YLRKECMZTHZKOQ-KDOFPFPSSA-N 425.466 1.310 30 10 IDEE CC(C)(C#N)OCCS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882485782 HTXVIYSOFQYFAX-OAHLLOKOSA-N 426.491 1.878 30 10 IDEE C#CCOCCOCC[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882549976 TWXZOQRPELNQQQ-SFNQZPIRSA-N 425.503 1.560 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1889423127 JHNWLLGWVXUYKO-UHFFFAOYSA-N 427.545 1.720 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cs1 1891200003 BJQBTVWYIKPVKT-LBPRGKRZSA-N 428.470 1.365 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 2247551184 CPGBNXOAISMMDR-JXORXQGFSA-N 439.553 1.979 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2247822072 BQHOOANPPXCDTL-GFCCVEGCSA-N 441.359 1.366 30 10 IDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248441091 KUQOHPMAQHWDRI-GFCCVEGCSA-N 440.375 1.836 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)C1 2255160859 TXKIDDJPSDFIAK-BIWSTMPVSA-N 446.470 1.114 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255633040 VQNHZZLBVZWEMK-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CC(C)[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2255653716 NCPNKJVQLDZKDQ-HNNXBMFYSA-N 436.362 1.998 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1NC(=O)OC(C)(C)C 2255694509 ONNQFCYUHUIKIT-STQMWFEESA-N 435.334 1.100 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2255816073 YQPXSOWBNWUWLH-NRFANRHFSA-N 434.346 1.849 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256059383 KESHIEIIIWKLJS-KGLIPLIRSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256067438 PAUXAPRCUCLNKS-CQSZACIVSA-N 432.330 1.763 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 2267269510 FJFHPZZHEKZVCI-YEJXKQKISA-N 447.345 1.244 30 10 IDEE CCn1cc(C(=O)N(CC(=O)N(C)C)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267496208 WFVKPGBSBBBJJD-UHFFFAOYSA-N 440.353 1.933 30 10 IDEE Cc1ccnc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267510591 NCTXLBWMOKXORC-GJZGRUSLSA-N 447.341 1.711 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2267518953 GYLSZYHKKOWAGX-FVQBIDKESA-N 446.357 1.847 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)nc2)OC1(C)C 2267546679 AERJYGGARNDTLL-UHFFFAOYSA-N 442.247 1.307 30 10 IDEE C[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)C(F)(F)F 2267546879 CNQVSHDZGKUTQJ-WCQYABFASA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)COC1 2267725998 IRAHVXAKUVEXLG-UHFFFAOYSA-N 448.325 1.715 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873492 PUYPEZHVBAGLSE-UONOGXRCSA-N 448.329 1.188 30 10 IDEE C[C@H](C#CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O)NC(=O)OC(C)(C)C 2302385099 JEYLENYHZPOCJM-ILXRZTDVSA-N 439.509 1.872 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CCNC(=O)OC(C)(C)C)C1 2315611127 KTNMLZAPRYNRNY-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE O=S(=O)(/N=C(\O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1 34827068 CVBCOTCSSYXTBE-UHFFFAOYSA-N 433.471 1.992 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1 45606618 SQWRJOYIGWWGDG-SFHVURJKSA-N 441.557 1.939 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 301415609 QRNABNXSPCXKBO-SFHVURJKSA-N 440.573 1.639 30 10 IDEE C=CC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 410063675 AQVDCUOBQSVEAX-RYUDHWBXSA-N 437.381 1.965 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)CC1 439934387 RHUNEHCOGFTCBN-IBGZPJMESA-N 429.521 1.056 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1c(C#N)cnn1-c1ccccc1 441194215 FBEROAHKELCRCE-PSBWJHGTSA-N 437.456 1.107 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488259666 FPSSXPCUOWBYFX-FGZHOGPDSA-N 438.576 1.471 30 10 IDEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)c(OC)c1 489878295 ILOSHTZNMLIYDF-GOSISDBHSA-N 430.486 1.358 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@H]1CCCO1 514522473 AAWVXLIHRWDEAU-HUUCEWRRSA-N 447.582 1.113 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 522390074 YDTABYHYUKDBEN-UHFFFAOYSA-N 449.492 1.896 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 530315844 WVBWGPQMAOOYQO-QGZVFWFLSA-N 445.500 1.922 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCOCC4(CC4)C3)nnc12 541159764 ATVWEYPYWGXCQQ-UHFFFAOYSA-N 425.514 1.961 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549276148 RVQGDFYJFOAGHT-INIZCTEOSA-N 427.534 1.350 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 549653972 GQPUWXZLJKJPDH-WMLDXEAASA-N 436.586 1.589 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCO2)CC1 549672020 MCAPHNNIPMIMFS-FQEVSTJZSA-N 439.564 1.257 30 10 IDEE Cc1nsc(N2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CC2)c1C#N 569514353 YWERGTBASOVQNN-UHFFFAOYSA-N 442.549 1.933 30 10 IDEE CCOC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 569629577 QRYFSKDHCOOGAA-SFHVURJKSA-N 429.498 1.375 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CCOCC2)C1 582075193 NBIBRUPYYMQEBE-ZWKOTPCHSA-N 439.582 1.440 30 10 IDEE COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)c1 586863334 LKADONBJAMKHRB-UHFFFAOYSA-N 438.459 1.236 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 610084486 KKMCVIGXFNQLLV-UHFFFAOYSA-N 438.506 1.116 30 10 IDEE C[C@H](c1cccc(F)c1)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 729251059 MINGQGFCRYZOQG-OAHLLOKOSA-N 430.505 1.770 30 10 IDEE C#CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 729334032 GUHPUKCQLHLMPO-MRXNPFEDSA-N 442.497 1.672 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1 730141472 KIMLLQTWBASXPB-KRWDZBQOSA-N 433.578 1.519 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CCCC2)C1=O 730144364 JWKBIZASSADXER-QGZVFWFLSA-N 431.562 1.728 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)cn1 735069691 ZGRMUMGOAVQIPL-UHFFFAOYSA-N 447.564 1.690 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnc(CC(C)C)s2)c1=O 758058225 KBHAWFXMHCHHEG-UHFFFAOYSA-N 428.583 1.617 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C 763438148 SZZKSDHTRAOZSB-MRXNPFEDSA-N 436.537 1.200 30 10 IDEE C#CCN(C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774194682 ZCWJZDBTBCXELC-RTBURBONSA-N 439.965 1.545 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCn1ccnn1 784125525 QPODRABWAWIJIY-KRWDZBQOSA-N 428.518 1.977 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(CN4CCCC4)c3)CC2)o1 785713773 KVFUGGLABVLRRY-UHFFFAOYSA-N 437.500 1.956 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1 789322227 DOHSEZIYYDZJLV-FQEVSTJZSA-N 443.592 1.462 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 802581103 OGLWCZLHFVCAET-SFHVURJKSA-N 428.493 1.484 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(Cl)n1C 802604133 JYCQOEBQROYIAE-ZDUSSCGKSA-N 443.961 1.210 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 812935150 XYFZTTLQXAHACB-BXWFABGCSA-N 438.525 1.181 30 10 IDEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@H]1CCNC(=O)CC1 815910267 TVDPGPVQZRUTQW-YJBOKZPZSA-N 446.529 1.425 30 10 IDEE C=CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1nc(C(=O)OCC)cs1 920242657 HZMIMAUOLKHPMY-INIZCTEOSA-N 427.486 1.959 30 10 IDEE C#CC[C@@H]1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1131460641 RRNYVTINWUOCDV-CQSZACIVSA-N 441.347 1.955 30 10 IDEE CS(=O)(=O)NC1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCCCC1 1136099511 YWGMBJNMRHPFQQ-UHFFFAOYSA-N 431.511 1.105 30 10 IDEE COCCN(CC(=O)OC(C)(C)C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1144927136 FGLQRJBATMHALZ-UHFFFAOYSA-N 439.534 1.322 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1149438875 VIHCJFZKGAYLQW-MRXNPFEDSA-N 442.541 1.934 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)C1CCN(c3ccc(C#N)cc3F)CC1)C2 1158987689 XYNSAUAGRAFHKH-IBGZPJMESA-N 439.495 1.313 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC(N3CCCC3=O)C2)cc1[N+](=O)[O-] 1179012802 NSYWZPXDOCEKQW-UHFFFAOYSA-N 438.444 1.827 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286338239 JKNSBOGPQFIVBR-IBGZPJMESA-N 436.564 1.555 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H](O)C1 1286400818 GXUGDEGEESFTIP-IEBWSBKVSA-N 426.542 1.973 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1286484340 MHQXLDAKGYIYNG-UHFFFAOYSA-N 449.490 1.294 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1286494956 WMIJCFDMWJGYPX-CMKODMSKSA-N 429.565 1.953 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286508554 UNYSXFFEHUEIPQ-KRWDZBQOSA-N 425.518 1.900 30 10 IDEE C=C(C)COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1286604341 IUOPGPJWKAGRLZ-UHFFFAOYSA-N 431.493 1.500 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1286781651 WIVUHXAWIVVHPA-HZPDHXFCSA-N 441.536 1.867 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1288981604 FYPZUHBVJUDTDI-WIYYLYMNSA-N 443.577 1.675 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 1294720446 AHBMAFMOTNGWEG-UHFFFAOYSA-N 442.335 1.587 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1297649346 GZMBAYUQXIYQBW-UHFFFAOYSA-N 445.545 1.657 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1297716989 DEKMSNKHHUQFEW-BXWFABGCSA-N 425.555 1.567 30 10 IDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1297798509 HHAONBYFNNNPDM-MRXNPFEDSA-N 426.535 1.548 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C(=O)NC 1300466320 VZXYHZRBUUXINI-HNNXBMFYSA-N 434.541 1.428 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1300479339 LXYBOHYXSLVYGV-QGZVFWFLSA-N 447.586 1.559 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 1300710099 SBXCGIIRFWMGAF-UHFFFAOYSA-N 443.523 1.683 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2([S@](C)=O)CCC2)CC1 1300725653 IYWVPOSJFAMMQU-DRKIFQHWSA-N 447.605 1.439 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1300891354 KHPLWYQSYHGTGX-RXVVDRJESA-N 444.580 1.686 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1300996232 BADBJRGTUYTSHJ-UHFFFAOYSA-N 443.552 1.612 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1301207013 NPAKCHJUSMAZCX-QGZVFWFLSA-N 446.577 1.863 30 10 IDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301221444 KESFNNFOTAVBIW-ZWKOTPCHSA-N 439.582 1.379 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)N(C)CC)C1 1301545276 DSSDDKAFVVLGKD-KRWDZBQOSA-N 427.505 1.976 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)C1 1301565793 GNTDNZNJRZUHNR-KRWDZBQOSA-N 444.561 1.681 30 10 IDEE C#CCN(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1312833168 GBQAOZHIBNMNPU-OAHLLOKOSA-N 427.473 1.133 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1313191163 QZRMLWNZUXSTTB-OAHLLOKOSA-N 436.509 1.198 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1313491116 CMUMPRFKFKRQGL-FQEVSTJZSA-N 448.531 1.753 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1315560667 DCOMVCUFUCUXAB-MOPGFXCFSA-N 440.504 1.687 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1315812758 NOOSSKCJZCPUID-NSISKUIASA-N 428.512 1.958 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1348986649 QXKVUTDBANUPJR-SFHVURJKSA-N 442.520 1.118 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)c2)c1 1351801800 IRQBSYANDXAIAW-IBGZPJMESA-N 445.435 1.825 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1358937572 AISZADLDGJXTJR-CQSZACIVSA-N 433.538 1.100 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC1 1359019696 CUFYNUVERYLSNU-QGZVFWFLSA-N 447.561 1.318 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1359028528 VONKXMYHTOCAAF-QFIPXVFZSA-N 428.512 1.218 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359291128 FPSLIUSRJBRJFR-UFYCRDLUSA-N 440.548 1.537 30 10 IDEE CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359643930 RJYWUPCAHMRPIQ-SFHVURJKSA-N 435.532 1.646 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1360471265 DZROSUYNDPADNT-CYBMUJFWSA-N 426.930 1.793 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1456477942 SBBAJFJKBGJNEL-RDTXWAMCSA-N 431.518 1.176 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 1465549022 FLACIWWHRRXGCT-UHFFFAOYSA-N 428.514 1.883 30 10 IDEE C=CCC1(O)CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 1471935900 MDBXJGJIZMIHED-UHFFFAOYSA-N 434.562 1.686 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC3(C2)CN(C(=O)OC(C)(C)C)C3)s1 1472407530 HOVGIEAMZFFWDV-UHFFFAOYSA-N 441.575 1.834 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1503373679 DEXVKZYSZCZVET-MOPGFXCFSA-N 435.532 1.648 30 10 IDEE COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504858247 XEQCQWYBGLSMKP-INIZCTEOSA-N 441.536 1.285 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507678033 PXFLUWZYTMOLCK-OAQYLSRUSA-N 438.576 1.881 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccc(C(F)(F)F)n1 1507691043 ZPIVVDRMTBECTH-CYBMUJFWSA-N 442.467 1.691 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@](C)(O)CC)CC1 1507723866 XKRDTSHEONPDGE-NRFANRHFSA-N 445.593 1.154 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1507738933 IMCXXTQJXOPKHD-WOJBJXKFSA-N 442.608 1.868 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)CC1 1507895861 DJMCNZJECQSOTN-HNNXBMFYSA-N 429.550 1.987 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC)CC2)cc1 1508100320 IREOSQWFIFUDLF-GOSISDBHSA-N 439.520 1.304 30 10 IDEE CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)cn1 1508285609 IDSXQNVVPOBZHV-UHFFFAOYSA-N 430.472 1.497 30 10 IDEE Cc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1510788153 SYYPYKJHWMTOOJ-MYXCPXAOSA-N 439.476 1.040 30 10 IDEE Cc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1511306887 WVFISRIVQYFGEX-HRAATJIYSA-N 425.468 1.608 30 10 IDEE COCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1519035323 KRALEUSVZJNZJV-ZWKOTPCHSA-N 440.552 1.975 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCOCC1 1519436279 PDEHOBOZLUWAEY-IPJJNNNSSA-N 432.569 1.854 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2c(C#N)c(C)c3ccccn23)c1 1532938939 SPNPMIHRDQKQGY-UHFFFAOYSA-N 441.513 1.950 30 10 IDEE N#C[C@]12CN(C(=O)C[C@H]3C(=O)Nc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1537005273 BEBJKDQBGXOKIJ-MNRXQERYSA-N 438.303 1.272 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1539216519 TXXMGUQHCZEHIT-OAHLLOKOSA-N 429.531 1.175 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539219435 CHNCKMUMAGNTCU-RBUKOAKNSA-N 446.577 1.513 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1539370595 XVUVCTSNNQXREF-OXQOHEQNSA-N 439.582 1.012 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2c[nH]nc2C)CC1 1539427394 DGCCFCJXCGPDOA-UHFFFAOYSA-N 433.520 1.345 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[S@](=O)CC)CC1 1539473980 GFSSSPRIYLXZJI-WJOKGBTCSA-N 443.573 1.688 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2snnc2C)CC1 1539477759 XXBJWCLBRSCDHH-UHFFFAOYSA-N 436.545 1.823 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)CC1 1540874287 AQUGUOYXUDYIBE-UHFFFAOYSA-N 442.520 1.665 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1540875331 IFTGTODRVMVGFN-UHFFFAOYSA-N 428.468 1.109 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(CC(N)=O)CC1 1540904714 PDRUUJODKUZXSL-UHFFFAOYSA-N 445.589 1.870 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCS1 1544755667 NFALSTGBSZGWHQ-CJNGLKHVSA-N 425.518 1.747 30 10 IDEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1546893966 DSSGICLTUSYCKQ-YSRXLGAZSA-N 443.552 1.634 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C2CC2)CC1 1559845905 BJJHFSGXIDWLSR-WOJBJXKFSA-N 434.537 1.044 30 10 IDEE C#CC[C@@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1 1560136197 NAXAUTAGVFBLIE-GOSISDBHSA-N 449.573 1.778 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1585387062 ZOQNVXZCZGZAOU-ACJLOTCBSA-N 433.511 1.011 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1586809210 XWPZTPATWZODLN-FQEVSTJZSA-N 430.486 1.337 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc(C4CCOCC4)n[nH]3)ccc2c1=O 1586955944 GZSJAHVFJKFQMA-UHFFFAOYSA-N 426.502 1.813 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COc2ccccc2)C1 1587808729 WGLUKVGKGIYIBT-HKUYNNGSSA-N 447.561 1.586 30 10 IDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1587915531 MSVNOOBNUBTTEG-IFXJQAMLSA-N 438.937 1.691 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1588050291 QLVLRZQEMFZUBE-YWZLYKJASA-N 445.570 1.869 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1588055277 URFNSNHDAYGEBL-RTBURBONSA-N 444.557 1.747 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588059746 UDMFUUPHRMLEHY-MJGOQNOKSA-N 427.574 1.918 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1588074089 ILRZNEQHBPZEAX-IBGZPJMESA-N 445.545 1.448 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588595524 VVAWZYATAMKNSN-QGZVFWFLSA-N 447.561 1.321 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1588646769 MYKNDRRRCNKKQE-IBGZPJMESA-N 447.561 1.054 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC(=O)N(C)C)CC1 1588791428 UGVVWMHISSYMSL-UHFFFAOYSA-N 440.548 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCC(=O)NC2CC2)CC1 1588955010 NXKTVFVCBCRYFJ-UHFFFAOYSA-N 449.559 1.289 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1589403461 AETUPLDHSYKBLM-CBBWQLFWSA-N 445.383 1.950 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1595530265 ZAFLRZWGOQVVNL-INIZCTEOSA-N 426.525 1.026 30 10 IDEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595659432 YFTHDFBPZSAART-OAQYLSRUSA-N 448.527 1.828 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)C1=O 1597522713 RAURFUJMZHOIPV-BZSNNMDCSA-N 439.468 1.476 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1610090925 BXNWDFCODYOXKA-QGZVFWFLSA-N 441.511 1.644 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)CC2=O)cc1Cl 1616200718 VBQLIAZVJGNUAN-CRAIPNDOSA-N 435.933 1.990 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1616222230 AUHQHCOYUHHNNT-XZOQPEGZSA-N 446.596 1.907 30 10 IDEE N#Cc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccn1 1618793457 LMAHBVZFMCPQLM-UHFFFAOYSA-N 428.392 1.837 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCS(=O)(=O)C1 1620083463 YZNQWBLUFGIIED-YVSFHVDLSA-N 425.555 1.565 30 10 IDEE CS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620176667 VALPMBWAAIYABT-GOSISDBHSA-N 435.598 1.127 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1620356552 BIKIKACXJXUPOQ-KRWDZBQOSA-N 428.468 1.771 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@]1(OCCO)CCOC1 1628967073 KYUAHDBMEQPLPG-AUSIDOKSSA-N 445.516 1.677 30 10 IDEE CC(C)(CCN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1630025796 KOFCDUODPBUCDK-UHFFFAOYSA-N 448.589 1.576 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)s1 1632189661 JFVJWYNTFAZYNK-BHYGNILZSA-N 427.592 1.465 30 10 IDEE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1633147158 ZZJRAJTYMJRPHT-WMZOPIPTSA-N 429.546 1.766 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CC[C@@H]([S@](C)=O)C3)nnc12 1639104737 IPEGJBNSBNCJIB-GKXFIBDASA-N 445.570 1.738 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 1640587799 ARUZTWJEFFYLHD-UHFFFAOYSA-N 434.449 1.874 30 10 IDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 1641858498 PTXAQHMIEBQBEX-MRXNPFEDSA-N 429.336 1.662 30 10 IDEE COc1cc(CN2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc(OC)c1OC 1644715707 CODIIVCPQANESN-IBGZPJMESA-N 433.549 1.901 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)C1CCN(C)CC1 1645259806 XZEQAEQDONRUFZ-UHFFFAOYSA-N 434.381 1.345 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(CN4CCOCC4)cn3)C2=O)cc1 1650923254 DWXWUNWDJYIQJO-LJQANCHMSA-N 448.483 1.629 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCC#N)CCN(C(=O)OC(C)(C)C)CC1 1656329473 YWMIKWKXHITSNM-UHFFFAOYSA-N 425.530 1.416 30 10 IDEE C=CCN(C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1663707721 UPCWAZNKPYSDSB-OLRZCDJHSA-N 442.563 1.608 30 10 IDEE C=CCN1CCC(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)CC1 1668511375 ZBKIIPLKJYQJJG-SJORKVTESA-N 442.582 1.065 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)c1 1671150954 WBKTXIDFZRNHIB-UHFFFAOYSA-N 440.518 1.498 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 1672015599 WJNPCRCAJMIBCM-UHFFFAOYSA-N 446.888 1.246 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 1683469037 KAPFGSLHWYEJIV-GOSISDBHSA-N 429.521 1.922 30 10 IDEE C#CCN(C(=O)NCc1nc(O)c2c(n1)CCOC2)C1CCN(C(=O)OC(C)(C)C)CC1 1684867688 ATVJSKFMCAFMNR-UHFFFAOYSA-N 445.520 1.799 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)NC(C)C)CC1 1689926291 MCRBAHARNOVDOX-UHFFFAOYSA-N 441.536 1.066 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689930780 ZEXURWHDIIGISY-SFHVURJKSA-N 443.577 1.489 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689981766 AVICNNKMFZYRHV-IIMDRIAPSA-N 436.578 1.774 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1690019359 GNPYQGGWFHHNTQ-FQEVSTJZSA-N 426.542 1.860 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1690077788 WQYCLJCJIHUSBW-GOSISDBHSA-N 432.546 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2CCN(C(=O)OC)CC2)CC1 1690136512 GMUGTKWPVASMRU-UHFFFAOYSA-N 430.553 1.846 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1)c1ccccc1 1690322144 WPSPMEAFNWBIAF-HRAATJIYSA-N 444.561 1.461 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCOCC2)CC1 1690411715 SHATXIJFIVKEJQ-MJGOQNOKSA-N 437.610 1.551 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690497435 QBUDTFZHHCJSRL-UHFFFAOYSA-N 448.568 1.084 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnnn1C 1690587126 ZNWCIAKMDIHKJZ-UHFFFAOYSA-N 442.549 1.551 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690674006 LSFFXBWFKWBOKD-OALUTQOASA-N 444.605 1.780 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1 1690725259 KDUNZWQNUNJIRB-OAHLLOKOSA-N 435.525 1.276 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1692586029 YPIFBCPXJVOXHU-VGOFRKELSA-N 430.553 1.973 30 10 IDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1692851400 FEEPGIOKVPAWEM-UZLBHIALSA-N 436.582 1.931 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCN2CCCC2)CCOC1 1696098830 WBQXIDDDFVLFFF-SIKLNZKXSA-N 432.569 1.925 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCO[C@H]1CCOC1 1696298132 CHDSFHSQAQYXBC-KRWDZBQOSA-N 428.493 1.545 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)C1 1696950244 DYAWIBOWEGYTHG-AEFFLSMTSA-N 426.521 1.974 30 10 IDEE COCC[C@](C)(O)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1697936139 DRNDZJZWCVTUNZ-AOMKIAJQSA-N 442.568 1.740 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C)COC1 1698164605 GQJQTJHQYJJCAO-KRWDZBQOSA-N 441.536 1.632 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC(C)C 1705489631 SPUIHUKOTPOXEP-QGZVFWFLSA-N 441.561 1.917 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1705549991 PJZMQTGUPJOYTR-UHFFFAOYSA-N 443.511 1.800 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705572065 PUWUSIICOYPESY-PKOBYXMFSA-N 430.530 1.835 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2sc(C)nc2C)CC1 1705648597 YWUYWYVFFCHFCB-MRXNPFEDSA-N 441.561 1.317 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705671226 BBGLHCMLILCRQU-NHCUHLMSSA-N 425.514 1.358 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1705687501 FRVFTIYSPBXMJG-CQSZACIVSA-N 446.371 1.676 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)NCCC)CC1 1705898513 OJAWWYQVFDFLMZ-UHFFFAOYSA-N 440.548 1.999 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1706348053 AMZVPGAHYDWHFP-BVFCJKAASA-N 446.577 1.886 30 10 IDEE CC1(C)CN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCO1 1706955499 CDTXTISFEAJLBA-UHFFFAOYSA-N 444.561 1.162 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708152588 GFTZNMYNWZDDMV-JLHGSKIFSA-N 440.552 1.566 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCCO)CC(=O)N1C 1708234578 PWXYXRYXKACCRF-QGZVFWFLSA-N 426.521 1.948 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)CCO1 1711364033 UELMFXONASEREF-HNNXBMFYSA-N 438.410 1.694 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCN2CCCS2(=O)=O)cc1 1712881520 WYYBWQHCULSETH-UHFFFAOYSA-N 428.518 1.531 30 10 IDEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1722340608 ZPTXYMUEAVFLJF-UHFFFAOYSA-N 431.562 1.969 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722359433 SUHYOXJSQYTVRG-CYBMUJFWSA-N 435.472 1.386 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1722366776 SLRCRPRIJKNIJI-UYAOXDASSA-N 446.573 1.986 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1722382041 DKQGIPFBQACAIW-FDDCHVKYSA-N 435.532 1.065 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1722416758 RQKTZSGOMPIHKA-IAGOWNOFSA-N 426.583 1.717 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCNc2ccccn2)CC1 1722432614 BMMGJVKHJBXPEC-QHCPKHFHSA-N 439.564 1.583 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCNC(C)=O)CC1 1722435769 OHAUCPPGBIISPO-UHFFFAOYSA-N 440.548 1.634 30 10 IDEE C=C(Br)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722483477 ALJKNFUWKJVQBP-AWEZNQCLSA-N 431.294 1.001 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@@H]1CC 1722500220 QSWLBCAYTLLMHH-BCYZHJNNSA-N 433.553 1.698 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722629432 KOHWRIXBJSMHAH-SQGPQFPESA-N 440.566 1.157 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1722673490 UFTPSUSNQWZQOH-SFHVURJKSA-N 441.561 1.592 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(OCC)n3)CC2)nnc1C(C)(C)C 1722704841 XPXPAMRFNRZCLL-UHFFFAOYSA-N 427.553 1.998 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@@H]1CC 1722723929 JIEPBJIOOUKHBL-ILXRZTDVSA-N 433.600 1.114 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CCO1 1722843763 QNHSUBXGXFNYLF-QZTJIDSGSA-N 446.458 1.582 30 10 IDEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1724134581 UMDLXFTXJVOGNV-SJLPKXTDSA-N 447.565 1.118 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1724437261 BMQDQXMIBDLSFC-GOSISDBHSA-N 448.549 1.222 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1729369214 GROYWXXNZSIBJW-MSOLQXFVSA-N 445.545 1.779 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1729672423 HLYGKXYIKLPHSR-NRFANRHFSA-N 426.546 1.647 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCN2CCCC2)cc1 1731184653 GRJCHUFOVBCXCR-UHFFFAOYSA-N 428.562 1.783 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)c1 1740563318 SGBDYSRBZWFLNK-UHFFFAOYSA-N 431.500 1.875 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740592916 MKJOELYQLTVDCB-HXUWFJFHSA-N 435.576 1.810 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1740718784 BDDGWBCEYPFCQG-UHFFFAOYSA-N 449.527 1.809 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740755995 DUFNROCPYROVAY-QXOCSCLMSA-N 427.505 1.682 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740784156 LZRXBXHGKPOIKP-HNNXBMFYSA-N 429.594 1.999 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740940827 UGSKJWGKMKEEPY-QGZVFWFLSA-N 434.566 1.569 30 10 IDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742325381 WZCMLFDGAMCMSR-YJCBXQLOSA-N 436.451 1.617 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)C#N 1747433205 MZCWQXWZYFKUGN-CQSZACIVSA-N 434.522 1.599 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1748805898 YBELHEOJVNAPRH-QZTJIDSGSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748819488 PFVZZGOVVQSXGD-MOPGFXCFSA-N 429.546 1.316 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1748825052 VTYVHFYBYVRYMH-IAGOWNOFSA-N 447.586 1.922 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@@H](C)CC 1748846955 NLMPBVFKYXZGSC-IBGZPJMESA-N 448.575 1.830 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)N(C)C 1748926432 SXPUXXYBNWXHJT-UYAOXDASSA-N 445.589 1.951 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1748944908 ITRDDBCNTBFVSD-MOPGFXCFSA-N 427.480 1.814 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1749020169 NIEJXZKKJROEDG-HNNXBMFYSA-N 447.565 1.867 30 10 IDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749235576 UTRQEFRXOBBJKI-UHFFFAOYSA-N 430.597 1.958 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1749599430 FEZUNQWYWXVXRL-LJQANCHMSA-N 446.573 1.997 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749650515 ABHHEZUYDUPPCF-HZPDHXFCSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1nncn1C 1749655741 QRBWPZHKBDBPAH-INIZCTEOSA-N 437.464 1.626 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750022166 AKSCEAWBRINPEX-GFMLWQLBSA-N 436.488 1.323 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccco2)n1CCN/C(O)=C1/N=CC=CC1=O 1750915011 ITSZYVSOLQZVOX-VLGSPTGOSA-N 427.465 1.172 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1760095741 XUKKUJKEBOUADX-MVBMGLOESA-N 444.580 1.242 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1760187950 MGIJZNFSCRBPRQ-IRXDYDNUSA-N 449.602 1.725 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CC=CCC1 1760206234 UKMUVAHJKMGJNH-UHFFFAOYSA-N 430.560 1.787 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(N)=O)c2)CC1 1760267861 DAWDZAUFTBWAPC-UHFFFAOYSA-N 431.500 1.386 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ncc(CC)s2)CC1 1760268449 JYVHDBIRWXIPRA-MRXNPFEDSA-N 441.561 1.262 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760280386 KCKZFKSMXVYGLQ-SJORKVTESA-N 446.577 1.653 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1760306390 GEGDNGTVLDXKDH-ZDUSSCGKSA-N 434.360 1.366 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760358222 SPMXDMWUQORAQM-IBGZPJMESA-N 448.568 1.339 30 10 IDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760452338 LKZGQCBURTWEKU-QGZVFWFLSA-N 431.566 1.783 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1760505174 NFYCDLVCABEYQM-ULQDDVLXSA-N 445.561 1.388 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760565172 POXJWUZJPIZRRC-HOTGVXAUSA-N 446.581 1.623 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760565897 HFHWFVLFFMGVAM-HZPDHXFCSA-N 436.607 1.827 30 10 IDEE CCN(CC1CCC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1766807138 RJHYSFXDQRBOEO-ZJYNUGOYSA-N 427.509 1.382 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1766993721 CEGKABUKRYWEGC-KRWDZBQOSA-N 441.517 1.134 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1)[C@@H]1CCOC1 1768577444 PHXVEPNLWDFHMB-GOSISDBHSA-N 427.505 1.885 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1768659586 FSGXTURYUBKOPQ-GHTZIAJQSA-N 445.545 1.577 30 10 IDEE CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769088566 BYIXCIGGNFLQKJ-MSOLQXFVSA-N 437.548 1.932 30 10 IDEE COCCOC1(Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1770075271 KQVVOEPFESBJGO-NRFANRHFSA-N 444.511 1.918 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(O)c1 1771219149 JASCNZOPWFFLDF-QFBILLFUSA-N 426.521 1.933 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1848957567 OIYBYLCQAQTPTB-UHFFFAOYSA-N 447.557 1.860 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCC#CCN1CCc2ccccc2C1 1850091795 KKAVVGHZVPZDOO-QGZVFWFLSA-N 429.517 1.670 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3c(F)cccc3Cl)C(=O)O2)CC1 1856660468 MRPZSYROUNCKQJ-INIZCTEOSA-N 443.884 1.934 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)CC1=O 1856806004 WEALNKPUIIRVHD-STQMWFEESA-N 444.893 1.231 30 10 IDEE C[C@@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)cc1C(=O)O 1857887398 WEDIXRDXTLITJY-LLVKDONJSA-N 431.470 1.757 30 10 IDEE C=CCOc1ccccc1OCc1nnc2sc(CNC(=O)C3=NNC(=O)CC3)nn12 1874773416 OCWFPKOVKIBWCY-UHFFFAOYSA-N 441.473 1.212 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC#CCN2CCOCC2)[C@H]1c1ccc(C#N)cc1 1889191023 KXZHDUBRMVLWKN-FGZHOGPDSA-N 440.569 1.404 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073756602 JUNNHGMXUMCKFN-ZMOMAAQPSA-N 437.346 1.840 30 10 IDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247812825 HMNJWLWPPIMEFN-SSEXGKCCSA-N 442.347 1.472 30 10 IDEE C=C(CS(=O)(=O)NCCN(CCOC)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903294 FWZZQXYMBMBABK-UHFFFAOYSA-N 448.391 1.977 30 10 IDEE C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247953511 UWRCTIGRKMUADU-HNNXBMFYSA-N 435.355 1.291 30 10 IDEE C[C@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255610119 YAXKSLPRVZITCQ-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626351 FOZXQYZYSXBVBN-ZSEKCTLFSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NC1CC(F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255659025 MIGSGSFZKNXMPB-UHFFFAOYSA-N 438.309 1.834 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)NCC(=O)NCc3ccccc3)ccc2F)OC1(C)C 2255802533 AFNNOCINOWMZCM-UHFFFAOYSA-N 448.325 1.720 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255827058 GKMMTHRUZAXZCT-LRTDBIEQSA-N 432.330 1.696 30 10 IDEE COc1ccc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2255856792 BJMXYXUYSLYGLI-UHFFFAOYSA-N 428.216 1.497 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256062146 QQTFIPQSCZVHKB-UHFFFAOYSA-N 432.330 1.857 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256928641 UZTCWFJOMOCJJG-MRXNPFEDSA-N 427.266 1.176 30 10 IDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2257591070 URLPTQSIYISTDB-AWEZNQCLSA-N 438.330 1.927 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)n1 2267503326 BRZPDNCUCCCNPS-JKSUJKDBSA-N 446.357 1.943 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267523454 BOAJGLAPOKCMMO-NUEKZKHPSA-N 446.357 1.940 30 10 IDEE N#Cc1cccc2c1N(S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)CC2 2286039812 GSNHUUFBRHQWEZ-KRWDZBQOSA-N 429.454 1.630 30 10 IDEE COc1ccc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2317456460 AMLYXXKAQAFAEP-HNNXBMFYSA-N 436.314 1.819 30 10 IDEE Cc1cnc(NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2333988035 HWYARCHVSKMLDY-YESZJQIVSA-N 449.357 1.442 30 10 IDEE C=C(CO)[C@@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@]2(O)C3=O)O1 14954357 MYQAATJJIDGOMQ-LERMDLETSA-N 426.421 1.780 30 10 IDEE biogenic C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 96503960 SKUQDUXSFDGHFB-UHFFFAOYSA-N 425.488 1.854 30 10 IDEE CC(C)CN1C[C@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@H]2C1 248065202 WALDAGKKZLBEOX-UXHICEINSA-N 430.574 1.758 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 410274147 VCTPBELRFDJBOD-PMACEKPBSA-N 433.578 1.493 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1CC=C 477460297 MAOILPUZNGQAPI-UHFFFAOYSA-N 448.317 1.803 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCO1 479388298 BLLLNNKDEFQKAB-GDBMZVCRSA-N 427.526 1.611 30 10 IDEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc1 507550687 LJPBHFPWAOAODL-UHFFFAOYSA-N 426.454 1.320 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c(=O)n1C[C@@H]1CCCO1 514330110 UUGOJLBRYLOTJD-HYVNUMGLSA-N 441.553 1.834 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 515313893 GSMXNJLUUODKEF-WMZOPIPTSA-N 449.581 1.305 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 517353073 HEUPUTIRNQZXMH-UHFFFAOYSA-N 440.481 1.138 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1-c1ccccc1C#N 520064896 NQELJKRIYLDMKY-UHFFFAOYSA-N 444.516 1.807 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 537472118 NUGKIUJGVTZTRE-CQSZACIVSA-N 426.498 1.907 30 10 IDEE C=C1[C@@H](n2cnc3c(O)nc(N)nc32)C[C@@H](O)[C@H]1COS(=O)(=O)c1ccc(C)cc1 575416880 HEFLKLFRVJOGQF-SOUVJXGZSA-N 431.474 1.306 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccccc1 609074551 DXUDDRNPALZVHV-UHFFFAOYSA-N 429.423 1.624 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 609459104 RXECHYQXBICLAO-SFHVURJKSA-N 436.582 1.120 30 10 IDEE C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccoc2)c1=O 727418720 WLXXJGBRZXAMSI-INIZCTEOSA-N 435.505 1.474 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CC1 734274714 BYYQYZOOQNRODE-UHFFFAOYSA-N 446.571 1.097 30 10 IDEE C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742655205 GZPGHXVLKZNAJI-CRAIPNDOSA-N 442.541 1.319 30 10 IDEE C#CC[C@@H](NC(=O)C[C@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757423903 FIWNUYPAYCAGRV-YCRPNKLZSA-N 436.464 1.869 30 10 IDEE C#CCN(C(=O)c1ccc(OC)c(I)c1)[C@@H]1CCS(=O)(=O)C1 763295523 USJCERODKSMFCF-GFCCVEGCSA-N 433.267 1.562 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 766320936 KVGGIMUUEPRDPK-YWZLYKJASA-N 441.509 1.962 30 10 IDEE CN1C(=O)C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(Cl)cc1 768943612 UCMTYBDOVFQFQB-IMIXSNCBSA-N 431.880 1.437 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)CCCC)cc1)[C@H]1CCS(=O)(=O)C1 774018064 PSQUVONCYQUZLN-KRWDZBQOSA-N 441.575 1.761 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 779399804 KKYBRZSCWDBSQW-CEWLAPEOSA-N 431.558 1.805 30 10 IDEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789402354 CNFBBEFPTHBUFC-INIZCTEOSA-N 435.484 1.662 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 797583308 SLIAPROQDHEAPO-QFIPXVFZSA-N 443.477 1.765 30 10 IDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 802404894 IYFIQQGCSYDKJW-FQEVSTJZSA-N 449.515 1.759 30 10 IDEE COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802450323 UMCRFAZXMNYMEA-QGZVFWFLSA-N 430.534 1.172 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 809572256 JRNKJDMZZVFOAT-JPYJTQIMSA-N 433.549 1.877 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 816758841 YTLWFQLQAQYHFB-UONOGXRCSA-N 446.323 1.099 30 10 IDEE COCCN1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 920743520 CNQLAQZRUIVZKZ-GOSISDBHSA-N 436.578 1.321 30 10 IDEE Cc1cc(I)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1134276064 RAXJOODHECOXJM-LRDDRELGSA-N 444.294 1.918 30 10 IDEE CNC(=O)CC1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCCC1 1148549373 JOWPWIRIJIQMJT-SFHVURJKSA-N 439.516 1.966 30 10 IDEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1152761469 OERZEUPVFGMKNS-KRWDZBQOSA-N 437.537 1.457 30 10 IDEE Nc1nc(N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)nc(C(F)(F)C(F)(F)F)n1 1163295284 ZPTSFCVBHXVHKV-RNFRBKRXSA-N 434.291 1.955 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN([C@H](C(N)=O)c1ccc(C#N)cc1)C2 1197759138 NGIKMLFWYJYLQF-SCYDXJQRSA-N 442.516 1.863 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCN(C)S(=O)(=O)CC)c1 1286307756 ALISFXDEXNPUCZ-UHFFFAOYSA-N 432.550 1.314 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286415427 NKKHFFCKSXYVRJ-GBESFXJTSA-N 431.562 1.407 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1286436464 JRXZWHFSWOFSGQ-UHFFFAOYSA-N 449.353 1.755 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@H]2C1 1286551390 HNJUDYDQGCLYIU-TVFCKZIOSA-N 435.525 1.624 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1286745093 BHPQFJPVVRORDK-SFHVURJKSA-N 431.562 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286817575 NYCSWXJNKJRKBU-YLJYHZDGSA-N 425.599 1.693 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCOc2ccccc21 1288868662 CLAJLBZJPPVVQO-XHSDSOJGSA-N 446.533 1.183 30 10 IDEE CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1292439199 BKQIJUUWTLVETM-UHFFFAOYSA-N 427.498 1.468 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@H]1CCOC1)C1CC1 1297776658 CVQUURIKWXYMCW-QGZVFWFLSA-N 444.561 1.761 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300268974 XRUAJHCYMKLRRU-DOTOQJQBSA-N 449.490 1.867 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1300340210 WQJUJIGZIWKZCQ-CVEARBPZSA-N 432.550 1.987 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1300410704 PWNXUALQVKNLMW-OALUTQOASA-N 446.577 1.312 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1nnc(C)s1 1300441168 FTQPBDIZWQYTCQ-UHFFFAOYSA-N 445.574 1.667 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300496314 PPXYFNXKOSZTFZ-OALUTQOASA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300498333 JFTJQCXKPRSDOA-OALUTQOASA-N 429.546 1.460 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1300570025 WUEAXLIBYFWZTJ-UHFFFAOYSA-N 445.531 1.689 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1301261074 AYWPSDVBQSSIGQ-UHFFFAOYSA-N 438.579 1.485 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@@H](C)O1 1301358756 DEBKNHHLUVFCIQ-GTCCEBARSA-N 427.505 1.862 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)N2CCOCC2)C1 1301542485 BKEWPFHQJLLJDX-CVDCTZTESA-N 449.596 1.822 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1301957016 RGKVLMKRSBVVAT-ACJLOTCBSA-N 436.358 1.709 30 10 IDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1)N1CCOCC1 1303684063 ICMKETTZYKATCZ-GOSISDBHSA-N 437.548 1.743 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC(C)(C)O1 1305155144 NRRLTCWHNWOWBS-PBHICJAKSA-N 437.504 1.809 30 10 IDEE COC(=O)C1(C2(O)CCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2)CCC1 1305356019 VQDWNXWNNUIZAU-UHFFFAOYSA-N 439.516 1.847 30 10 IDEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1313711814 HNZAJLAYTCWOMH-OAQYLSRUSA-N 439.564 1.890 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)CCO1 1315011974 CUFQXBCRXKLUOJ-WMZOPIPTSA-N 426.546 1.911 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)OC 1316206616 PAXZBASATKLUOB-IAGOWNOFSA-N 429.525 1.630 30 10 IDEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1 1316230178 UBLHSHZJTOXWIJ-FQEVSTJZSA-N 426.456 1.589 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358960303 BGPWXAWXQPIVRO-OAHLLOKOSA-N 428.543 1.666 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358999082 CMASNGCVIBSJJZ-HNNXBMFYSA-N 430.475 1.529 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN(C(C)=O)C1 1359026450 YLMRQTNVVASNMB-HXUWFJFHSA-N 449.559 1.861 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](CC(C)C)N(C)C)CC1 1359044159 XLXYQARXAIHGLL-FQEVSTJZSA-N 440.596 1.621 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359054449 WCKUYDQWOOKLNL-KRWDZBQOSA-N 441.605 1.439 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@@H]1C 1359300801 KJBNJBJGCWFOJW-RDJZCZTQSA-N 429.546 1.606 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1359320643 SXDHQJYCDMAPQO-IPMKNSEASA-N 433.553 1.448 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359426947 AZFGGRCBCSQCFH-KRWDZBQOSA-N 442.545 1.356 30 10 IDEE Cc1nn(C)c(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1C#N 1437520123 BBPXSMGAHXAWEM-CYBMUJFWSA-N 429.458 1.176 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1450156325 LBTFNIOHYXSBLW-ZDUSSCGKSA-N 443.275 1.736 30 10 IDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1455056385 NRXIDPIGHLHJHF-KRWDZBQOSA-N 433.310 1.719 30 10 IDEE COC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)nn1 1457711579 OEMGOXSDAVMBEP-UHFFFAOYSA-N 444.289 1.789 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(c2ccc(C#N)cn2)CC1 1460501592 LGDNKRWEIJDFES-OAHLLOKOSA-N 439.541 1.758 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)c1 1460857500 KQEQIWUUVZNSKJ-UHFFFAOYSA-N 435.546 1.993 30 10 IDEE CN(C)C(=O)[C@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1461455243 DVVFJKDZFRPBTJ-ACJLOTCBSA-N 439.394 1.289 30 10 IDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1461626772 BMOCUYDVMHQQQJ-RDJZCZTQSA-N 436.486 1.331 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCSCC1 1464955392 XIHHYQAEUVEXRZ-OAHLLOKOSA-N 435.612 1.731 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)CC1 1466785919 YMOIILKJSOZIQR-UHFFFAOYSA-N 445.467 1.182 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1503604186 XZKMBMXWQIGMAG-UHFFFAOYSA-N 440.533 1.274 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1504610528 CIAKTSRQEGYVON-JFIYKMOQSA-N 428.468 1.428 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CC1 1504989536 MCOAMBAKTIXRDK-MRXNPFEDSA-N 444.511 1.864 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1507534485 UBGIQXKEHPASBS-RHSMWYFYSA-N 433.516 1.565 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1507539262 TWSYCXCNNYABLL-FXAWDEMLSA-N 443.573 1.955 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1507634882 OFDUSXJEWJPVBG-KRWDZBQOSA-N 445.574 1.226 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2(C)COC2)n1 1507716397 KBDRCEZQDDINRV-SFHVURJKSA-N 428.537 1.691 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507732738 SCMZLHNFEPMALD-UHFFFAOYSA-N 440.548 1.085 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1507734868 AOLZKOFRYBRURG-UHFFFAOYSA-N 447.543 1.651 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1507750873 GWXNPGJQEIPINU-INIZCTEOSA-N 444.561 1.844 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OC)C1 1507752372 WAXPXRVFYVEOPT-HNNXBMFYSA-N 434.591 1.830 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1507847670 PLDFOUZOKYSTRH-HNNXBMFYSA-N 432.550 1.529 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507868910 QEDDVUZSWYOSKF-CPUCHLNUSA-N 434.880 1.903 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1Cc1nnn(C)n1 1507998244 DCJUTVYMSBDYJK-UHFFFAOYSA-N 426.488 1.900 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 1508092221 YFRJMZGLDPLYSF-SFHVURJKSA-N 429.525 1.441 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508143100 JDRSEBAHQWBUNJ-KRWDZBQOSA-N 437.610 1.521 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1510368025 BERZRYPZDLKQOM-UHFFFAOYSA-N 433.472 1.475 30 10 IDEE CO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1519494340 YSTIRONZVHUIMF-UNEBPCJRSA-N 440.479 1.760 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1539219239 HGROPUDHGDUPHB-QZTJIDSGSA-N 430.578 1.562 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1539422986 NZMYQYBQYVPAIT-CALCHBBNSA-N 448.568 1.613 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539636198 JTFJTTNJHQCGRQ-MJGOQNOKSA-N 430.553 1.093 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1539774780 DWGBTKGZFZUXBL-CHWSQXEVSA-N 448.977 1.744 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539803002 CUBFUSBLAFDQGA-YJBOKZPZSA-N 433.896 1.884 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539829319 WUPGMUJNTNZXIF-QZTJIDSGSA-N 440.614 1.402 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1539874816 KEINMFFPZQDCDJ-FQEVSTJZSA-N 441.598 1.660 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1cnnn1C 1540120677 UXWKXKCZEBIWTK-UHFFFAOYSA-N 436.520 1.892 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1540170265 MACBLJJVFBDDCF-RBUKOAKNSA-N 437.610 1.860 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1540865729 QDAZZHAIKIWERJ-SFHVURJKSA-N 437.548 1.759 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CC(F)(F)C1 1540866742 YTNGNOGCNXZSGJ-UHFFFAOYSA-N 443.462 1.705 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1540868019 PECYJPXPVSPYBD-NVXWUHKLSA-N 441.536 1.992 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540880754 PRJQJKGZOMSVKN-GUDVDZBRSA-N 442.516 1.755 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCOC1 1540907315 SBEURRCZYYHPMX-GOSISDBHSA-N 436.582 1.603 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1540937742 FTLGLKRRXOWJTN-LJQANCHMSA-N 433.520 1.803 30 10 IDEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1541272742 PCVLIRJRLAQDIF-MAUKXSAKSA-N 439.520 1.731 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCSCCCO)CCOC1 1541725807 OYBHNLSTVMMLBT-OALUTQOASA-N 427.546 1.876 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2Cc2ccc(C#N)o2)n1 1542631684 GMYYORWPYXMNGH-HNNXBMFYSA-N 441.517 1.632 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCOC4)n3CCCCCCO)CC2)c1C#N 1543001884 GXBLOERBAGLCDZ-SFHVURJKSA-N 442.568 1.575 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1543008587 LIPIGTIPTJVMIC-OAHLLOKOSA-N 431.522 1.522 30 10 IDEE C=CC1(CC(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)CN(C(=O)OC(C)(C)C)C1 1543028265 KMRIINIDWXNIHP-UHFFFAOYSA-N 430.505 1.331 30 10 IDEE C#CCN(CC(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1)C(=O)OC(C)(C)C 1544866374 WPQQNDNJNCLODH-UHFFFAOYSA-N 426.477 1.403 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)cc1 1554869767 DOVQAXWMRXMMRQ-GOSISDBHSA-N 433.534 1.897 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1=O 1555581639 GVKCIWYXQWGVQL-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)C2)nc1 1558464063 CQAMULSVYCKGBO-VQIMIIECSA-N 435.463 1.615 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(CC(N)=O)CC1 1566307636 WKJJLJLUYQIOJE-IBGZPJMESA-N 427.505 1.022 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1587852105 QAPWYVPKWYHZKR-QZTJIDSGSA-N 448.593 1.473 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1588046186 ZEWKLVQLOTXFTG-HZPDHXFCSA-N 434.493 1.126 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588064808 PILRAAUIGRNZAP-KNQAVFIVSA-N 428.558 1.765 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588075006 VMCIRBWVAJTSSO-BRWVUGGUSA-N 437.566 1.061 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588262520 GERNJFXMDUXDRU-DLBZAZTESA-N 436.582 1.080 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCC2)CC1 1588923550 DKMLGEHNORXWHU-IBGZPJMESA-N 441.580 1.071 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1595427966 BEWDIYNRPPMEPQ-UHFFFAOYSA-N 440.548 1.796 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2NC(=O)CC2(C)C)C1 1595665608 YBZJBNPPBWSFAM-SJORKVTESA-N 432.569 1.893 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)C1 1595674197 NTNPEDLOOAZJRO-XJKSGUPXSA-N 441.504 1.996 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1)c1cc[nH]n1 1596017177 NXRSCHKXWDVRHE-KRWDZBQOSA-N 442.520 1.020 30 10 IDEE N#Cc1ccc(OCc2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)cc1 1607489688 SBHOCKDEWJDENS-UHFFFAOYSA-N 427.420 1.968 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1610416597 QJXNPZATIVGWJJ-WUKBZCGHSA-N 442.520 1.611 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccncc2Cl)CCO1 1618692222 BCYCHVQTNLRJRO-SFHVURJKSA-N 437.891 1.865 30 10 IDEE COCCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C[C@H]1C 1619949928 HRROQOKQYDQIDB-GOSISDBHSA-N 438.536 1.810 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1619988983 UKXZTLGCRLQQIM-RDJZCZTQSA-N 425.555 1.567 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC1 1620384693 DUDPHJHENYEQDJ-HTXNQAPBSA-N 441.517 1.396 30 10 IDEE CCOC(=O)CC1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1623325620 MQVMOBCZRNWPLO-QGZVFWFLSA-N 442.472 1.382 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 1624283239 HVUXLSSTWJFGKM-HRCADAONSA-N 440.525 1.708 30 10 IDEE CC[C@@H](C#N)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1627342256 JUCXTDPDZOFXHO-HNNXBMFYSA-N 437.522 1.824 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(C2(C)OCCO2)cc1 1631764632 NTOBURIFPYFNJI-OAHLLOKOSA-N 429.498 1.761 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1636571849 VVIAYKUHFCENCX-RBUKOAKNSA-N 437.566 1.188 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)cc1 1639153327 CJADIIFLEVMUEC-INIZCTEOSA-N 427.404 1.705 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)CN1CCCCC1 1639640987 CGIUPPBJJIMKCH-SJLPKXTDSA-N 436.578 1.103 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 1640351291 UGFFREPSUQZVFG-MRXNPFEDSA-N 427.567 1.519 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)ccc1F 1640584156 KMEMLBUIGNEWAE-QZTJIDSGSA-N 425.526 1.519 30 10 IDEE N#Cc1cn(CCNC(=O)c2cnn(-c3ccccc3)c2Br)c(=O)nc1O 1641033541 CULRJRZKWBPJOF-UHFFFAOYSA-N 429.234 1.199 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCc2nnnn2CC1 1643033197 DXENRZJQGLRCRS-GFCCVEGCSA-N 435.282 1.606 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1 1643062897 SUCVVKXMZWSHSC-UHFFFAOYSA-N 431.470 1.291 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1 1644587596 OGISMJDACVQWGB-SFHVURJKSA-N 426.477 1.747 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)ccc1F 1645393372 LVSGSKWUVIUGCO-OAHLLOKOSA-N 428.482 1.473 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)C(=O)N(Cc3cccc(OC)c3)C2=O)c1 1652063680 PQMKGLNWXULQRK-UHFFFAOYSA-N 434.408 1.316 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 1653421993 YTNUDCWOVUCVIC-NRFANRHFSA-N 428.558 1.697 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1681590579 CIEQHZSLQMGDIQ-UHFFFAOYSA-N 447.388 1.964 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H](N4CCOCC4)CC3)C2=O)cc1 1682226017 AOFCMHARAKMSGZ-LEWJYISDSA-N 425.533 1.555 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1689853498 UNVUYBZIVCPSMS-JKSUJKDBSA-N 427.571 1.132 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689986776 WXOKUYQPVUWMTD-AWEZNQCLSA-N 430.559 1.967 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689988418 ONANLFNRVYYGRP-ZDUSSCGKSA-N 448.496 1.558 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1689994402 XLKKEXUMCCCRRO-WIYYLYMNSA-N 438.594 1.425 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1689996030 CNOYKWFASHVZNU-IXDOHACOSA-N 437.541 1.165 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689998266 HJWDIUCOWULSFR-QZTJIDSGSA-N 432.550 1.352 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCc2ccccc2C1 1690092719 SJBHVQRZWKFTDJ-IBGZPJMESA-N 438.576 1.949 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CCOCC)CC2)CC1 1690141801 CGHIMBPUKYPWSP-UHFFFAOYSA-N 439.564 1.851 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC)CC1 1690144446 ZYTQYMBBMOXMME-UHFFFAOYSA-N 433.516 1.568 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1690235920 GFVOJOWLYHCNIB-ZACQAIPSSA-N 441.598 1.657 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CC(=O)N(C)C)n1 1693196076 DJGRXZPQKFGLMT-UHFFFAOYSA-N 444.543 1.931 30 10 IDEE C[C@H]1[C@H](C)CCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693698048 AYZATNDHDODMEG-MCYOWCNASA-N 427.509 1.275 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@@](C)=O)CCC1 1696331764 JKYGEVPLOAJWSS-WJOKGBTCSA-N 443.577 1.709 30 10 IDEE CN(C)C(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1696573394 FEAFHTDTMLRYGH-OAQYLSRUSA-N 431.516 1.491 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1696838965 KCPAEHCBWNAIND-RXVVDRJESA-N 445.545 1.636 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@](F)(C#N)C2)c1 1697017669 FRVIQUCMKLKXFW-IBGZPJMESA-N 429.481 1.672 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H]1C 1697077376 YITWQZIVPJALBC-AWEZNQCLSA-N 432.506 1.138 30 10 IDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1697557668 DEMJFJKGKOODKG-IBGZPJMESA-N 436.513 1.723 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1698306259 CAMNVCFZJAGUQJ-SFHVURJKSA-N 429.546 1.993 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cc(CO)nn1 1705479809 LXNXDQASOQPIBU-CYBMUJFWSA-N 447.341 1.678 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1705573818 ONXAWAISHIBOOA-KRWDZBQOSA-N 445.520 1.666 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N1CCSCC1 1705672128 LPOHKRPEHHFVOS-LJQANCHMSA-N 449.606 1.049 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1705769288 OATFSINUWRQCRI-MRXNPFEDSA-N 427.596 1.317 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1705907421 MGWDSZVALCCMGJ-HOTGVXAUSA-N 444.561 1.720 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCCC2)CC1 1705908770 HBCWLJZTSPNKJH-PXNSSMCTSA-N 432.569 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)S[C@H](C)C1 1705939495 YLORREWZTSIOCS-NCOADZHNSA-N 444.623 1.933 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1706069796 HPKOPKXGXXSXOG-HUUCEWRRSA-N 434.566 1.760 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1706747981 FEIJWANCUJOPPS-OAHLLOKOSA-N 448.531 1.976 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1710362881 ZVCGSLYMSGZNRF-QFIPXVFZSA-N 437.504 1.574 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1711430670 ABKIVAPHPGAXDI-SJLPKXTDSA-N 443.529 1.641 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCO[C@@H]1C 1712453088 ALKWLIDEWDAHFZ-VFNWGFHPSA-N 429.477 1.580 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC(F)F)C1 1712876971 YGMYKLFYWXRHOR-SFHVURJKSA-N 433.398 1.644 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722359749 ANDMWNNLDHZNOF-KRWDZBQOSA-N 438.513 1.419 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCNc2ccccn2)CC1 1722432611 BMMGJVKHJBXPEC-HSZRJFAPSA-N 439.564 1.583 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCc2nc(C)no2)CC1 1722446162 POKWWFJXWPMOAN-UHFFFAOYSA-N 435.492 1.025 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722628051 RNIIJAJYQBCQQR-SFHVURJKSA-N 445.568 1.550 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722638558 FUXJFWRMVONVLR-OAHLLOKOSA-N 442.442 1.891 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1722685055 LZZKPNRYDGKCRU-INIZCTEOSA-N 430.534 1.235 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1722697976 RTRLYRRBOVGRTB-UHFFFAOYSA-N 447.543 1.775 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722700968 ASCFKKLKOYZYHM-MJGOQNOKSA-N 438.532 1.089 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722728476 UWYKDCOKZZIFIN-KBPBESRZSA-N 429.568 1.132 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722729626 RKFMVVKDSHDIKB-JOCHJYFZSA-N 443.573 1.495 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1722863145 HYQAZJUUUBNAJD-QWHCGFSZSA-N 437.501 1.262 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccncc2)CC1 1740546246 WIAJZLMKBUBBCI-LJQANCHMSA-N 433.564 1.744 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1740620563 DOEXAQLQEKIOBH-KRWDZBQOSA-N 440.529 1.362 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1c(C)nn(C)c1C 1740683991 IADNFQSUSQBWKZ-UHFFFAOYSA-N 425.493 1.490 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1740689022 NWZFLMMLNVVBBH-NRFANRHFSA-N 449.603 1.790 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740782256 JBEWTCIZNRDJDK-OAHLLOKOSA-N 445.611 1.007 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740883208 MJWOATAVSKASQJ-LJQANCHMSA-N 426.521 1.760 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCCCC2)C1 1740973171 RZAQTXRNVMKHCG-ROUUACIJSA-N 440.614 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccccc2F)CC1 1740994311 OWRWQCBUWVDSHQ-UHFFFAOYSA-N 437.541 1.881 30 10 IDEE Cc1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742854128 LDWKJKQPSOZJBR-XJUMHSELSA-N 436.516 1.951 30 10 IDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1748795146 ZBAGAJKOCAEXIL-QURGRASLSA-N 434.500 1.668 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1OC 1748825370 VLMLMWPLPFYQEB-UHFFFAOYSA-N 431.456 1.459 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1748855664 GKPYFFSXUONYRS-JTSKRJEESA-N 439.541 1.681 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1748891765 FSCAMGZBWPHZRQ-FXAWDEMLSA-N 440.525 1.688 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1748915628 ZRUFHUWGNIWZTR-LBPRGKRZSA-N 426.340 1.930 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)NCC=C)CC1 1748977727 APZUREJZAABYOM-UHFFFAOYSA-N 429.528 1.859 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOCC(F)F)CC1 1748979251 WOSRBXLQDWCHNC-FQEVSTJZSA-N 427.496 1.356 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1 1749065059 SLOHEEDZRJBHRB-YCRNBWNJSA-N 427.597 1.495 30 10 IDEE COCCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1749654956 BDMQFIBKBPAYHK-MSOLQXFVSA-N 440.552 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1749731331 BMFUFWGVKHMZNH-ROUUACIJSA-N 445.545 1.877 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(OC)nc1 1750027196 IGRKJHOPSHUDNW-VQIMIIECSA-N 441.536 1.631 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750196122 XADUYYZXPAXYSU-QFPXGYFVSA-N 448.549 1.085 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1760137372 RMYQGYWHWWZWKP-SFHVURJKSA-N 425.537 1.960 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760189360 IFVFVJINKCSDKU-FQEVSTJZSA-N 444.605 1.621 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760193436 ZRCVWJOGYDBLAA-LJQANCHMSA-N 431.562 1.578 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2c(C)nn(C)c2C)CC1 1760271976 UCXHOTWNVOXWJB-UHFFFAOYSA-N 446.559 1.628 30 10 IDEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760351536 GYIZOYZHPLNFMH-IBGZPJMESA-N 445.520 1.506 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1760550961 OVCIYVPLQPIWDV-SFHVURJKSA-N 447.561 1.075 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1760653750 GNPMDDHECKYIIW-LJQANCHMSA-N 426.521 1.568 30 10 IDEE Cc1nnc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762508399 ZOENIJCUEAYKHB-LURZSEBBSA-N 435.532 1.824 30 10 IDEE CN1C(=O)N[C@H](C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)C1=O 1767443031 BFCUTJWNYAOFBL-QGZVFWFLSA-N 437.504 1.354 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1767576265 QJRKOMYJNDSFOA-GOSISDBHSA-N 439.564 1.747 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1768526285 LXITVEYQLPJTEM-LJQANCHMSA-N 443.577 1.383 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1769267658 FLUSEHJYZYPBNK-HSZRJFAPSA-N 437.548 1.236 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1770216712 DXGWCKQEGHMXJB-KSZLIROESA-N 446.552 1.379 30 10 IDEE C=CCOC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1I 1850690278 LYUVYAWZSMSGOB-ABAIWWIYSA-N 442.253 1.656 30 10 IDEE C#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1851050316 ZXJSIXMVKGOMGJ-SFHVURJKSA-N 427.929 1.800 30 10 IDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CCCOCC2)cc1 1851612229 PIOMRWROAPQYGT-LJQANCHMSA-N 449.479 1.975 30 10 IDEE N#Cc1ccc(C2CC2)nc1C(=O)O[C@@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1852787026 RHYVZCPXSSTJEQ-QUCCMNQESA-N 430.464 1.999 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)N2CC[C@]3(C2)C(=O)N(C)C(=O)N3C)c2ccccc21 1853087195 LGLFVDXZIPHCKZ-QFIPXVFZSA-N 425.489 1.569 30 10 IDEE C=CCC[C@H](C)C(=O)N1CC[C@@H](N2CCCN(C3CCS(=O)(=O)CC3)CC2)C1=O 1854208112 AHWLTDBIYJPBNW-PKOBYXMFSA-N 425.595 1.301 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1F 1855037754 ICZJSMJJMCOUEK-RDTXWAMCSA-N 436.509 1.071 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)C3CC4(C3)CC(F)(F)C4)C2)CC1 1857033659 FEZBTROTXUZBHF-AWEZNQCLSA-N 429.489 1.752 30 10 IDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869927994 KVRANYVAUZIINH-IBGZPJMESA-N 426.542 1.501 30 10 IDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(OC)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870002419 MMKZDGGVIXCJRI-MRXNPFEDSA-N 431.518 1.499 30 10 IDEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870110907 NPDKZUSEFWDCBJ-UHFFFAOYSA-N 449.358 1.480 30 10 IDEE CC#CCN(CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](O)C1)C(=O)OC(C)(C)C 1900622054 RICCORRFGSVHCA-JKSUJKDBSA-N 425.526 1.733 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2009854307 PPXDVTHXOJNXCA-QKKBWIMNSA-N 439.509 1.874 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2060625748 NQXACVXXONSOHR-LXTVHRRPSA-N 438.330 1.993 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@](O)(Cn2cc(Br)cc(C#N)c2=O)C1 2100532775 ZWPIFOLDXZLURU-KRWDZBQOSA-N 428.283 1.481 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2247572365 VJQHZVDQTNSKFC-XXUFKVEXSA-N 437.537 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255595771 KFVOQSFCTGPUGM-NJDVURJYSA-N 438.309 1.834 30 10 IDEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2255819142 WTHDJUFMAJWMFW-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2255821832 HBMLDTVIVSSUEH-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830793 KSCCLSQXJNTYFZ-CQSZACIVSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256613533 JJKBTYWMFVBLLC-LBPRGKRZSA-N 434.302 1.088 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NCCN2CCN(Cc3ccccc3)CC2)OC1(C)C 2267141451 WWUBSWUDVGTKHW-UHFFFAOYSA-N 439.369 1.257 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267265833 LCOLAGKTCINDSB-DLBZAZTESA-N 447.341 1.745 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 2267272145 XPHSQEVUIGGQBT-HXUWFJFHSA-N 439.365 1.955 30 10 IDEE C[C@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1NC(=O)C(F)(F)F 2267491953 LKQDJIQBJGVHAH-WCQYABFASA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267598011 YSBKRSYXEPCAAF-JOCHJYFZSA-N 447.341 1.483 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880473 BAAYTSYEBPTLOT-ZIAGYGMSSA-N 448.329 1.045 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2272633464 LVZXCCQUUKELJU-RCDICMHDSA-N 444.341 1.763 30 10 IDEE C#CCn1ncc(N[C@@]23CO[C@@H](C2)[C@@H](NC(=O)OC(C)(C)C)C3)c(Br)c1=O 2281276652 MWJXVGVOTAHAIK-RRUGBERISA-N 439.310 1.876 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2315418971 RFLVKXXMHKDBOK-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE Cc1cc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 2320564471 MBHQCJXXGXWDJK-QGZVFWFLSA-N 434.342 1.796 30 10 IDEE COc1cc(OC)c([N+](=O)[O-])cc1C=NNS(=O)(=O)c1ccc(OC)c(OC)c1 2323409482 IHUUGDJYAZWHSD-UHFFFAOYSA-N 425.419 1.942 30 10 IDEE COc1cc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc(OC)c1 59310836 VTYDUCFASFVASN-DNTJNYDQSA-N 430.494 1.410 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 108553345 RFSUVIXIOUCGDL-UHFFFAOYSA-N 441.509 1.366 30 10 IDEE C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 109938607 SXGCNSYIHRGDCV-YWZLYKJASA-N 427.486 1.119 30 10 IDEE Cn1c(C(=O)/C=C\c2nc3c(c(=O)[nH]c(=O)n3C)n2C)nc2cc(C(F)(F)F)ccc21 222212588 XSUJVEFQIBWWBI-SREVYHEPSA-N 432.362 1.762 30 10 IDEE C[C@@]1(c2cccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)c2)NC(=O)NC1=O 426425321 AXTICBTVNCWEQI-JTSKRJEESA-N 449.492 1.767 30 10 IDEE CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 433673553 GXSUZWMAJRIZCJ-GOSISDBHSA-N 435.550 1.269 30 10 IDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCC[C@]3(C1)NC(=O)NC3=O)CCCC2 434784758 DMXUXELYDVDIOO-XMMPIXPASA-N 446.511 1.840 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)CC2)n1 436984338 MKBKZQKULJAZCJ-UHFFFAOYSA-N 441.513 1.406 30 10 IDEE N#Cc1cccc(-c2nnc(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)o2)c1 441166164 JGBIAVLZMQOPHG-UHFFFAOYSA-N 434.481 1.986 30 10 IDEE Cc1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)nc1C#N 468705449 CLIQKIHSXXFJSA-UHFFFAOYSA-N 447.904 1.757 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CCC(=O)N(C)C)CC1 473048874 RDCDYVHESUVNRN-UHFFFAOYSA-N 432.569 1.048 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(-c3ccccc3C#N)c2=O)nc1 474350335 IREACLBDHAVDAN-UHFFFAOYSA-N 443.532 1.749 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 477138951 WNVVWNKISUEBBO-UHFFFAOYSA-N 431.430 1.144 30 10 IDEE N#Cc1cccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC3CCCCC3)c2=O)c1 502473819 AGPBUVHIEXHUBV-UHFFFAOYSA-N 435.549 1.819 30 10 IDEE CN(CC(=O)Nc1cccc(F)c1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504584290 HDBPRHUUOREAQE-SFHVURJKSA-N 437.431 1.999 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)c1 506126748 VSNRTJKJKDZHPH-UHFFFAOYSA-N 445.526 1.561 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nccc(C(F)F)n3)CC2)cc1 513539196 DAWWEWCNNQVOOQ-UHFFFAOYSA-N 436.444 1.502 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C[C@H]1CCCO1 514474978 CPKUXJMSDJEDNJ-GOSISDBHSA-N 448.548 1.665 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 515661289 QPSRHMMRCVNYKS-UHFFFAOYSA-N 434.477 1.019 30 10 IDEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545489314 NPUHJFODPXHPOI-UHFFFAOYSA-N 443.529 1.831 30 10 IDEE C[C@@H](CCN1CCN(c2cccc(C#N)n2)CC1)N1CCN(c2cccc(C#N)n2)CC1 545504835 DRMQBESVGBREQJ-FQEVSTJZSA-N 430.560 1.943 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 558996926 XTPNUYIFTQUPHK-HSZRJFAPSA-N 433.516 1.875 30 10 IDEE Cc1c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cccc1S(=O)(=O)NC1CC1 610149097 QQBXICBOLNVYSW-UHFFFAOYSA-N 430.461 1.701 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 619851304 BEDKRXRWMGUTPU-IAGOWNOFSA-N 449.515 1.973 30 10 IDEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1C 728557075 DDZDSTQIWOFYON-GOSISDBHSA-N 440.569 1.309 30 10 IDEE N#C[C@@H](C(=O)CSCc1cc(-c2cccs2)on1)C(=O)N1CCS(=O)(=O)CC1 732908443 LGZJGAPXUHJLGB-ZDUSSCGKSA-N 439.540 1.602 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc1c(C)[nH]c2ccnn2c1=O 733544092 HAWSBGFTSIUCON-OAHLLOKOSA-N 437.456 1.761 30 10 IDEE COC(=O)[C@H](NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cc1 739988820 BESAYNRUSQJDHJ-HXUWFJFHSA-N 429.498 1.583 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1CCN(c2ccccc2)C1 741339973 CLJHORDQSGLKNH-VNRULFPQSA-N 426.473 1.089 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2C[C@@H]3CCC[C@H](C2)N3C)C1=O 742214383 XWDIXYKACOVLDS-UJJTZGENSA-N 443.573 1.868 30 10 IDEE O=C(Cc1ccc(I)cc1)NCCN/C(O)=C1\N=CC=CC1=O 754223108 GVOUJSKYSLIPEK-FOCLMDBBSA-N 425.226 1.476 30 10 IDEE COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772898306 DRIUOYRAMLDUEE-UHFFFAOYSA-N 448.614 1.486 30 10 IDEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 774997495 RUZVSZPWSSIFPX-FQEVSTJZSA-N 435.546 1.901 30 10 IDEE C#CCn1ccc(CN(CC)[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)n1 789331628 DZPIFVRAXPAJMH-MRXNPFEDSA-N 447.561 1.624 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@@H]3CCCO3)c2=O)cn1 794580524 XAVXLLDIMHPWAQ-INIZCTEOSA-N 426.542 1.894 30 10 IDEE CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 799833453 UPXONSBQKDTLFE-QGZVFWFLSA-N 447.561 1.211 30 10 IDEE N#C[C@]12CN(C(=O)C3CCN(C(=O)CCOc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1134429015 LDBYESJEZOMPJB-PGRDOPGGSA-N 445.541 1.091 30 10 IDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)C(=O)OC 1141994982 FBOMHUVFPYBCTI-AWEZNQCLSA-N 445.335 1.821 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](c2cc(O)n[nH]2)C1 1164322564 PQGSCVRLIJGHGK-CQSZACIVSA-N 431.518 1.730 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCOC[C@H]1CNS(C)(=O)=O 1175080125 TYHGUGWOANQKQG-HUUCEWRRSA-N 426.564 1.127 30 10 IDEE COc1ccc(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1195876632 LNQVNXCVXVNIKS-GOSISDBHSA-N 446.529 1.421 30 10 IDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3ccsc3C#N)CC1)C2=O 1196083258 KJPWDTRUDDCWMV-UHFFFAOYSA-N 430.534 1.274 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1248493234 RJCSWKOQXXOAEZ-QFIPXVFZSA-N 444.536 1.811 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)CN(C)C1=O 1286363512 UIIXTERLIQRWOS-FQEVSTJZSA-N 429.550 1.094 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1286438315 UONWGMLHUJNKAF-OAHLLOKOSA-N 436.559 1.243 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2OCCC2(C)C)CC1 1286485073 CBDMLSDXCCHEDR-KRWDZBQOSA-N 430.553 1.197 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCS(C)(=O)=O)CC1 1286640048 GGDBOXAXARJODZ-UHFFFAOYSA-N 438.575 1.940 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286683524 SWAKRDGCXFSDSK-DLBZAZTESA-N 438.598 1.836 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286703334 JYLVXLJCWZZIKQ-HXUWFJFHSA-N 440.596 1.849 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)=O)CC1 1286779276 GBGOCZWTTWOINH-UHFFFAOYSA-N 434.504 1.306 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286782781 GHGCEYGWVUZQPN-OAQYLSRUSA-N 444.923 1.626 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 1286784123 AATIYGRJBIPFNR-UHFFFAOYSA-N 435.525 1.790 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286824675 ZRTJOCWQBLUSGB-XHSDSOJGSA-N 429.612 1.955 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1299920633 ZWAULUZRBDTGBL-UHFFFAOYSA-N 447.517 1.682 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1301587329 NNYCBHXXGIMGEM-MOPGFXCFSA-N 431.562 1.870 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1 1301774773 IOQHFCHNNGPTTI-UHFFFAOYSA-N 439.537 1.941 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1302158658 CTBHMFFFKUSBEP-IBGZPJMESA-N 442.520 1.449 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1302225763 YKPBNIASOYFQKG-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1302685524 HJOSXDGSXKYLMX-QGZVFWFLSA-N 443.577 1.820 30 10 IDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)CCC1 1313975859 GHFJQBGZADNMIQ-INIZCTEOSA-N 435.532 1.790 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1314138042 HYCBYHDUQDIMQI-HTAPYJJXSA-N 444.536 1.600 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1316294225 UDORDZWYDPEFFG-UWVAXJGDSA-N 442.520 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(C)=O)CC1 1358982213 OCNMQBVQCZLVLL-UHFFFAOYSA-N 438.557 1.601 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1359030747 DOYQJSGHLMZXFY-WMZHIEFXSA-N 442.564 1.581 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359055697 MWTVDVYJZYGOSD-INIZCTEOSA-N 433.582 1.179 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359149443 ADYNQAGMVPSJAI-ZIAGYGMSSA-N 427.900 1.358 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1359266361 ZETBBTAIPKRECT-WNRNVDISSA-N 438.532 1.402 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccn(CC)c1=O 1359280786 DQHOPSYGBIJCFW-UHFFFAOYSA-N 440.504 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCO[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359335426 LITGDTWGPWHDNB-FXAWDEMLSA-N 442.582 1.535 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1450156835 MDTQOZRGCUFGCU-FZMZJTMJSA-N 428.258 1.547 30 10 IDEE COc1cc(I)c(C(=O)N2CCN(CCC#N)CC2)cc1OC 1454901689 AYYMCRYCSGWAHL-UHFFFAOYSA-N 429.258 1.980 30 10 IDEE O=C1C=COC2(CCN(C(=O)c3sccc3S(=O)(=O)N3CCC(O)CC3)CC2)C1 1456518738 YXMGHHFLUOPQKW-UHFFFAOYSA-N 440.543 1.371 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C(=O)OC(C)(C)C 1463888761 NNLGTHHXAVNPCV-UHFFFAOYSA-N 428.533 1.317 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)c1cc[nH]n1 1464708480 NKEOZZXQWLQSOY-HNNXBMFYSA-N 429.477 1.345 30 10 IDEE Cc1cc(Br)ccc1NC(=O)CCNC(=O)CCn1cc(C#N)c(O)nc1=O 1464722800 CSLLNQCOYDFBLB-UHFFFAOYSA-N 448.277 1.427 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)n1 1466958647 HSSVTBGREWMUFB-JOCHJYFZSA-N 438.488 1.594 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)s1 1471385952 LTVFJSLFLDYNDT-IAGOWNOFSA-N 427.592 1.249 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1471521162 DTGPDQXFZRGYSZ-FQEVSTJZSA-N 432.542 1.809 30 10 IDEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c1C 1473718756 OXCAQPAFQHDJCF-FQEVSTJZSA-N 432.590 1.745 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OCC 1475629152 MJIARYPRTXMLMT-VIFPVBQESA-N 427.264 1.201 30 10 IDEE C#C[C@@H](NC(=O)NCc1nc(CS(C)(=O)=O)n[nH]1)c1ccc(Br)cc1 1478895437 CKZUOAWDBQXDIN-GFCCVEGCSA-N 426.296 1.286 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507630820 IKGSMCJNJBAAAC-GOSISDBHSA-N 439.545 1.480 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507633268 FIYGTMPCIUKXDD-INIZCTEOSA-N 444.623 1.317 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1507680080 XBSOATJGLVGIQH-MRXNPFEDSA-N 431.566 1.391 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCNC(C)=O)CC1 1507719188 YYVYLPHXDQECBO-UHFFFAOYSA-N 432.532 1.617 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cn(C3COC3)nn2)CC1 1507739067 LUSQEZHAHFXYQX-UHFFFAOYSA-N 440.552 1.044 30 10 IDEE C=C(C)Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507835116 LRTBAFXZIOYOPE-FXAWDEMLSA-N 441.598 1.614 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1507849619 ZQRPIWNHHQWUSR-QFIPXVFZSA-N 435.569 1.828 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCOC2)C1 1508117291 MUKWZZFJNNXUDW-HTAPYJJXSA-N 430.505 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccco2)C1 1508130066 GNRHDMJRHOWREF-KRWDZBQOSA-N 449.533 1.286 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1508142948 HNYYNFAVURCKNS-IRXDYDNUSA-N 437.566 1.007 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1508147302 IIOFZSMDNKZRFA-HXUWFJFHSA-N 449.581 1.150 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1509524169 HOEPXZJYZWUQGQ-QUCCMNQESA-N 437.548 1.784 30 10 IDEE Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)c(=O)n1C 1510896824 DQWCNCKAKGJUSP-CQSZACIVSA-N 439.545 1.921 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1519277281 MZMXLSBCZSTIEN-IVZQSRNASA-N 442.495 1.778 30 10 IDEE COC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1531652296 ZSGAFZPDHVYWFW-IBGZPJMESA-N 427.482 1.932 30 10 IDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)[C@@H](C)COC 1531888179 ZOSHNVWQKGYHON-HNNXBMFYSA-N 442.534 1.388 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1539211443 LTBAPTYJNLEERX-KKSFZXQISA-N 448.520 1.516 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1539803354 HYQFUTREWJEJIF-BORJPKMPSA-N 430.958 1.705 30 10 IDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C)C1CC1 1540109030 NTICVNYQTBZSRX-KRWDZBQOSA-N 444.540 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540901167 VEQOLOGWPKYNFD-AWEZNQCLSA-N 435.481 1.326 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1540914876 DZDDICBCXUTDHW-HOTGVXAUSA-N 429.612 1.957 30 10 IDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)COCCO1 1542015627 PWOOTISTNMVDDR-XLIONFOSSA-N 431.518 1.246 30 10 IDEE Cc1nnc(N2C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543184357 JQLKLAUDCSKFRS-MAYDYTAKSA-N 445.524 1.462 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)OC 1545920878 BRJGWLNBGUOMIN-MRXNPFEDSA-N 440.552 1.825 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(C)(C)O)CCOC1 1547898317 ZLCJNTCCCMWVNE-QFIPXVFZSA-N 442.520 1.626 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cc1O 1554939638 BFVAGENOKLGOOQ-MRXNPFEDSA-N 431.518 1.683 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555424410 LRJRQNPGSXGRLF-OAQYLSRUSA-N 438.492 1.001 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1555685376 RBYMIEUEIYADCT-KKSFZXQISA-N 428.468 1.745 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1556132433 KSRRMNCYFYHAAA-PBHICJAKSA-N 436.534 1.734 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1556399649 UBCWPHMNAPISKQ-AXHMDWHKSA-N 428.551 1.366 30 10 IDEE CC(C)(C)OC(=O)NCCCN(CC1CCCC1)C(=O)Cn1cc(C#N)c(O)nc1=O 1556536944 ATIGAKQAUSEDAS-UHFFFAOYSA-N 433.509 1.754 30 10 IDEE N#C[C@@]12CN(C(=O)c3c(O)cnc4c(Br)cccc34)C[C@H]1CS(=O)(=O)C2 1558511204 ONIVESCWVHYWMK-BTDLBPIBSA-N 436.287 1.713 30 10 IDEE C=CC[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCN1C(=O)OC(C)(C)C 1558806229 IKWGWLKPMMMGHW-NRFANRHFSA-N 429.477 1.550 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1588025183 UWMGMYGORJXTCE-MRXNPFEDSA-N 439.582 1.106 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1588069152 IGAAQNLRJFHEPI-OAHLLOKOSA-N 441.504 1.073 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC[C@@H]2COCCO2)CC1 1588954315 FIBRLCAHOFMDSZ-HXUWFJFHSA-N 429.565 1.782 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1589207175 IOGCUPXRJUUOLB-WZONZLPQSA-N 436.516 1.660 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1589530523 WGZIXPDJVBPOSV-PXNSSMCTSA-N 427.553 1.964 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NC)c2)C1 1595744537 MDZMQBXXZOCJIZ-LJQANCHMSA-N 438.532 1.590 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595838762 ZXRVULLAFDMMDT-HNNXBMFYSA-N 442.549 1.401 30 10 IDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1595877856 BWGBUGHPUFHZFP-UHFFFAOYSA-N 442.593 1.698 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1596813925 QDJHJZPBLNZKDA-KBPBESRZSA-N 434.522 1.426 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N(CCC#N)CCN3CCOCC3)=NO2)C1 1598065257 BUTNCIULJLDZEE-OAQYLSRUSA-N 435.525 1.217 30 10 IDEE CC(C)Cc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1603474573 ZZQWVWBDACGXAQ-ZVDNPCSMSA-N 428.537 1.866 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CC=CCO1 1608571558 HLZPGHJCNFGWRW-LJQANCHMSA-N 435.532 1.960 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)C1 1611768043 YNVSUVHYRULLCO-LAUBAEHRSA-N 448.593 1.617 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)c1 1617251602 FBRHJLKHUJHMEF-NRFANRHFSA-N 430.468 1.445 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1617690129 XRCSTWTYEUCQEO-XMMPIXPASA-N 447.576 1.907 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 1617773439 DTWSBDWYBNSRQB-RTBURBONSA-N 428.489 1.686 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCn1cc(CO)nn1 1617869611 DMTYARAPWQNEJS-UHFFFAOYSA-N 449.519 1.083 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(Br)cc1 1622179983 FYFFYJZXHLVMLL-OAHLLOKOSA-N 429.317 1.749 30 10 IDEE CC[C@](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 1626332263 FYODMOZGAZURBB-OAQYLSRUSA-N 429.498 1.474 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)C2)c(=O)nc1O 1633658553 AFDRNCZAEPTYHD-GFCCVEGCSA-N 432.843 1.458 30 10 IDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)CC1 1634016569 ZWIVIYWTFJPMNB-UHFFFAOYSA-N 443.525 1.983 30 10 IDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1634515025 LIWIGACAPBPYQI-OXJNMPFZSA-N 445.520 1.646 30 10 IDEE COc1cccc([C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCN2)c1 1634879730 DPPRIORCCYBTIG-YWZLYKJASA-N 428.514 1.407 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)c1 1634993761 RYRZBTNLMZFLHW-YQQQUEKLSA-N 431.558 1.297 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1636709096 JLAOCWORTARBGL-ZWKOTPCHSA-N 445.004 1.935 30 10 IDEE N#Cc1cccc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1639245595 NZURVNLGJQZOHO-UHFFFAOYSA-N 427.442 1.472 30 10 IDEE CN(C)c1ccc([C@@H](CNc2[nH]c(=O)n(C)c(=O)c2C#N)NC(=O)OC(C)(C)C)cc1 1639876870 OKQWKBHSVPRSPH-MRXNPFEDSA-N 428.493 1.689 30 10 IDEE COC(=O)[C@@]1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1643878454 PAMMFCIHHFAUNU-WAIKUNEKSA-N 444.532 1.620 30 10 IDEE C=CC[C@H]1CCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1654348189 MNYOUXLYGOVQSC-KRWDZBQOSA-N 441.532 1.457 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 1656936263 MZVZDLMUJQVKMO-UHFFFAOYSA-N 438.550 1.408 30 10 IDEE C#CCN1CCN(C(=O)CN2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)CC1 1659495071 YLOUTPJZQWVIEV-RTBURBONSA-N 436.478 1.300 30 10 IDEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1666637351 UQWGPRQIJBLGHG-UHFFFAOYSA-N 439.412 1.888 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br)C(=O)OC 1669658302 WMCQVINDAXODME-NSHDSACASA-N 438.683 1.732 30 10 IDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1 1673381874 SQGVPKBMQJFXNA-HUUCEWRRSA-N 440.953 1.825 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)nn1 1673802845 YFJGKIWXISSRAB-CABCVRRESA-N 430.431 1.222 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3ccccc3)c(C)c2)CC1 1681834654 VUUPQEARLSBFEG-UHFFFAOYSA-N 426.542 1.957 30 10 IDEE CCO[C@@H](CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)CN(C)C 1685190829 RRYZRVDNGAEQAS-IBGZPJMESA-N 425.537 1.747 30 10 IDEE Cn1cc(CNC(=O)N2CCN(CCc3cnccn3)CC2)c(-c2ccc(C#N)cc2)n1 1686078921 OHYBCWMHCSKJHR-UHFFFAOYSA-N 430.516 1.819 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690675148 QDERSTYUKKJYQZ-LJQANCHMSA-N 436.560 1.861 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690729139 HKXGDIMUICPSOJ-MOPGFXCFSA-N 448.593 1.746 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCOCCS(C)(=O)=O 1694738246 JIAHDBWXBQIHON-UHFFFAOYSA-N 432.550 1.100 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1697022237 DXHKAZBPYAGJQC-UHFFFAOYSA-N 430.534 1.373 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC(C)(C)C1 1697025117 BQMHSUTYSUQNOA-UHFFFAOYSA-N 432.550 1.904 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1698191372 MXJQDZDDVDJCQY-NFBKMPQASA-N 440.548 1.515 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1OC 1705477384 NFZJQSOFIQLRQR-XHSDSOJGSA-N 435.550 1.822 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1705494723 DYNKTLYPVBPKPU-GJZGRUSLSA-N 430.513 1.221 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CN(C)C 1705580254 GGQXOEYLKMVEEI-UHFFFAOYSA-N 431.544 1.853 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCN(CC)CC1 1705608482 SYHFFLGDQFALHI-UHFFFAOYSA-N 448.579 1.408 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)N1CCOCC1 1705625126 XRZLOUZMYHDAIT-UHFFFAOYSA-N 441.532 1.871 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1705730598 LZZDETRDHRRJSU-ZWKOTPCHSA-N 440.614 1.546 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(O)cc2)CC1 1705781869 JMUIIGIJVYDSMZ-LJQANCHMSA-N 447.561 1.767 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1705792364 RPYMXPUQHQBAOJ-HNAYVOBHSA-N 440.545 1.655 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1)C1CC1 1705849176 FRKLYBRFVLMXBB-OAHLLOKOSA-N 442.549 1.672 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908592 DYFXOWXPDMCQJX-CVDCTZTESA-N 447.580 1.874 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705933850 TVVQCBHOVRZYST-HNNXBMFYSA-N 434.522 1.003 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705937275 OTOIUAOUZWRVOM-IAGOWNOFSA-N 449.602 1.779 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1707904029 HKSSMXZWSCZNCB-IBGZPJMESA-N 436.520 1.159 30 10 IDEE CCOCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1710670517 DNMFNWCFFMAESA-ROUUACIJSA-N 430.532 1.901 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1711015982 VTDKDOCZGOFFBV-LEWJYISDSA-N 440.548 1.779 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1711234672 QJTUZLWTHWZBTG-KRWDZBQOSA-N 439.545 1.757 30 10 IDEE Cn1cc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1711254917 HTBKAPCDFZIQKW-HSZRJFAPSA-N 448.531 1.797 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712584064 OPFOGXMPUPHFSD-RUNIHZNKSA-N 446.552 1.734 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(NC(N)=O)cc1 1712640124 WWKRHQQLDOFVHR-HZUJVAHNSA-N 443.483 1.983 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCCN2CCC[C@@H]2CO)c1 1712878558 HOCUDHYEEXUPEP-HXUWFJFHSA-N 442.589 1.622 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCC1 1722279445 TYUGXOUANMIOQU-INIZCTEOSA-N 431.562 1.958 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1722391162 YAVQOCAHGUMIRM-AEFFLSMTSA-N 448.618 1.716 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1722510700 WTABMMZASIFGFW-KSZLIROESA-N 441.598 1.684 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCOC1 1722652808 NWBYBPQSNFDPJJ-JOCHJYFZSA-N 429.521 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)NC)CC1 1722693537 RLLKTFXHJJLHNH-UHFFFAOYSA-N 427.465 1.118 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCSCCCO 1723941748 IOPKCPWGKSGRSU-PBHICJAKSA-N 430.600 1.134 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1740620051 SUVRSXNAQMQGGJ-OXJNMPFZSA-N 434.518 1.198 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCCN(C)C)c2)CC1 1740695398 PQTNCLDJUBRDAJ-UHFFFAOYSA-N 446.559 1.479 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccn(CC)c2=O)CC1 1740698573 INWXQIAVPHKWGG-UHFFFAOYSA-N 434.548 1.125 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1740763845 QQYOIUMFKLTQFJ-ICSRJNTNSA-N 427.553 1.823 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O 1740922057 RUPQEZSFYBTKNN-UHFFFAOYSA-N 447.590 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740988662 MDQXHQHOSMBLSO-GOSISDBHSA-N 431.562 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1740990095 IIXCBUVPEWJXRS-KRWDZBQOSA-N 446.577 1.617 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1747426120 XHCDAWLWQGDHBQ-OALUTQOASA-N 444.561 1.856 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1747542975 XLELCJMQCMWXCY-FQEVSTJZSA-N 437.548 1.454 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)N(C)C 1748651835 RRYLQGNAXDHSJC-INIZCTEOSA-N 446.577 1.522 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1748756791 WGSRGSQQBAPWQW-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1748811115 BUTCYGAFBGPSIG-GOSISDBHSA-N 437.529 1.308 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748811870 MUTXOZBDPYEDMM-MSOLQXFVSA-N 443.577 1.236 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1748905475 FGMMDISWJMNRCM-MRXNPFEDSA-N 441.561 1.797 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1CCNS(C)(=O)=O 1748944750 DBYLATIQMGNBAO-SFHVURJKSA-N 435.525 1.848 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCOCC1 1748962224 CJSHYWGNAFOMBX-UHFFFAOYSA-N 439.564 1.965 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1749053334 GTAIJIUKJLQRNU-RZQQEMMASA-N 431.566 1.655 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(CO)c2)CC1 1749304398 ZJZVZWFKJKGPTQ-LJQANCHMSA-N 447.561 1.308 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1749368201 DQKTZWIABIYYHA-KRWDZBQOSA-N 445.593 1.899 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1749403055 VXFQDGXJYIGUCR-KRWDZBQOSA-N 431.566 1.653 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N(C)C 1749550821 JOFINKNPIGOKFB-UHFFFAOYSA-N 435.579 1.824 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCO1 1749575762 CLPOUOQTMZLEFF-SIKLNZKXSA-N 443.504 1.386 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749641071 UBQNWZVDHHPXRH-IBGZPJMESA-N 435.488 1.681 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1749658848 WQAIYSROPXSDOP-ZDUSSCGKSA-N 432.912 1.576 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1749683501 VPCJDVHKOYISRR-VQIMIIECSA-N 432.569 1.558 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1750389424 ZTWLVBWZSHUZAF-KBPBESRZSA-N 437.472 1.311 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1750838033 YQVBGZMJNNKFGA-VQTJNVASSA-N 438.532 1.661 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@](C)(O)C(C)C 1750965068 CGSMEQKKPFLCOW-JOCHJYFZSA-N 440.552 1.417 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(Cl)nc1 1750966706 KOOKZYQKPWUSJX-MRXNPFEDSA-N 428.928 1.690 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1760170933 SGHLQRHYHXKZRO-UHFFFAOYSA-N 435.532 1.907 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760192444 IVQAWHKQMUQOIQ-RTBURBONSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1760209995 LKNYXRAFSOTOMI-IRXDYDNUSA-N 429.550 1.125 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1760210301 QBCSTXGSCMHRLO-APWZRJJASA-N 447.536 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1760212050 QRPXNZDJHIMWEA-NRFANRHFSA-N 434.562 1.218 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1760257761 IOIUDCDXUJYUPW-KRWDZBQOSA-N 433.482 1.980 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1760289732 SFGBRFLXWIRZFO-RIFZZMRRSA-N 436.582 1.139 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1(=O)=O 1760298918 ACGLMVIETSGJPU-RYLXDESZSA-N 436.578 1.962 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccnn1C)C1CC1 1760440077 BGFTWWQGALGBSA-SFHVURJKSA-N 449.581 1.480 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1760528684 JTKZDCUFTCFWTR-QFIPXVFZSA-N 443.552 1.350 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760556448 DTKYNHSGXXCUBM-KRWDZBQOSA-N 434.566 1.982 30 10 IDEE Cc1nccn1CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1762348457 RXEHAKHADMLMFO-KRWDZBQOSA-N 435.492 1.640 30 10 IDEE Cc1nnc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)s1 1762479882 DZFIHMVBPVZMSF-GFCCVEGCSA-N 438.583 1.421 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1764504006 BMSMUOLVSYNPLF-SFHVURJKSA-N 433.520 1.736 30 10 IDEE CC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1765145598 MSCAUOMOPUPPBV-NHWLHPCLSA-N 448.549 1.085 30 10 IDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC)CC1 1767242974 JAHOFNKXQUXWIH-UHFFFAOYSA-N 427.509 1.617 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)OC 1770782209 XDEUFAJVEDJWSX-SIKLNZKXSA-N 443.504 1.386 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C1 1771252264 MWVVYIIUTFHPRD-KNQAVFIVSA-N 427.505 1.864 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2OC(F)F)CCO1 1771536880 DGFOCKZGJYCDIR-RISCZKNCSA-N 436.394 1.747 30 10 IDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)CC2 1848693902 UQXJYRZOXVEIFK-KRWDZBQOSA-N 437.884 1.812 30 10 IDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)c1 1853952962 MSNNHONASRNJLK-INIZCTEOSA-N 427.482 1.694 30 10 IDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CC(Cn4cc(Cl)cn4)C3)CCC2=O)CC1=O 1857334755 IGIAOXWWLQYGAP-DOTOQJQBSA-N 433.940 1.268 30 10 IDEE COc1ccc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)cc1O 1862593137 CYYRZMFTNCKFQK-LJQANCHMSA-N 426.425 1.821 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870502600 MJGMHBFMCGDQDF-UHFFFAOYSA-N 431.518 1.172 30 10 IDEE CCCCCCCCn1cc(OCC(=O)NCC)c(=O)cc1CN(CCO)CCO 1870532144 RVNDBNIRIFAJBH-UHFFFAOYSA-N 425.570 1.510 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC(C)CC2)cc1=O 1870559926 CRZFUXLFAAQKAL-UHFFFAOYSA-N 429.542 1.788 30 10 IDEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871533509 JYOSZTIACKTFDG-UHFFFAOYSA-N 433.520 1.974 30 10 IDEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711847 LMNCETYIGVSPLR-UHFFFAOYSA-N 434.504 1.786 30 10 IDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873562728 QCUKGKYKHJZRRZ-UHFFFAOYSA-N 442.520 1.493 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)C[C@@H]3COc4ccccc4O3)CC2)CC1 1889464291 ANTUPCCQTWIOPB-JOCHJYFZSA-N 441.572 1.865 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1 1889680580 YQWXTQJANBURGL-UHFFFAOYSA-N 449.617 1.894 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)=C[C@@H]1O 1908930698 GRMOSMFMGMEMMJ-ZCNNSNEGSA-N 426.517 1.807 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1984992039 GESPQLOHFCASRR-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE CCO[C@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2164487533 NLCMZHRJZNNGKG-QFBILLFUSA-N 441.481 1.282 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255602525 UIJODFRYPMYHJN-ZIAGYGMSSA-N 434.346 1.942 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2255628219 FKOBZGWYAKYWOT-UKRRQHHQSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2255656223 XYNSUSYMPKDKCH-CQSZACIVSA-N 436.314 1.633 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255821902 HTWNYWSILUFWPM-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE CC1(C)OB(C#CC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](CN4C(=O)C(F)(F)F)[C@H]3C2)OC1(C)C 2255857001 DDLBDKOLCKGPIM-XGUBFFRZSA-N 426.244 1.879 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CC[C@H]2OCc2ccccc2)n1 2255934056 XCOWSYPIAVUDCU-ZWKOTPCHSA-N 447.366 1.745 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2256070356 XIPJTBQRDDOKKJ-KBPBESRZSA-N 430.314 1.610 30 10 IDEE Cc1nc(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)O2)ncc1B1OC(C)(C)C(C)(C)O1 2256740835 BKSZNNZAYGFSBY-CQSZACIVSA-N 434.302 1.964 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267130828 SUQAOPMVNWBRMU-GASCZTMLSA-N 446.357 1.658 30 10 IDEE Cc1nn(C)c(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267145901 JQWPECGLICGBTM-UHFFFAOYSA-N 446.357 1.863 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267176825 FZRWWLJWPUDYKI-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE C[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[S@@](C)=O 2267353674 MJTHBDQDJOVIBC-UZKFNYRNSA-N 427.806 1.746 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1(CO)CN(C(=O)OC(C)(C)C)C1 2267605366 NAPOCWVIXYTZCU-UHFFFAOYSA-N 449.357 1.519 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880311 ABOBRURWMPQUSX-RCDICMHDSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268699943 HUDOXMPFTJTIGN-SFHVURJKSA-N 448.369 1.920 30 10 IDEE C=CCO[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270539597 SLYRCFHNSWVVLT-SJORKVTESA-N 426.491 1.363 30 10 IDEE COc1ccc([C@@H]2C(=C(C)NNC(N)=S)C(=O)C(=O)N2c2ccccc2OC)cc1 2297710413 GHFTWMKWOGNTAS-GOSISDBHSA-N 426.498 1.973 30 10 IDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1cc(Br)c(OC)c(OC)c1 2323791124 OYPWVTCHOWWLDY-UKRRQHHQSA-N 439.306 1.744 30 10 IDEE C=CCOC[C@H](O)Cn1c(NN=Cc2ccc(C(C)C)cc2)nc2c1c(O)nc(=O)n2C 2328608944 BZOSXGOROQGIMB-QGZVFWFLSA-N 440.504 1.969 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1O 2329035335 PVTIZHAWUYMZMZ-CYBMUJFWSA-N 433.490 1.561 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204813 PRECVYAZFFYUII-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE C[C@@H](C(=O)NCCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14925050 VUDUQSBQYNWFEL-SFHVURJKSA-N 426.542 1.612 30 10 IDEE CC(=O)OCC[C@H]1S/C(=N/N=C2\C(=O)Nc3ccc(Br)cc32)NC1=O 39843810 RKUYSTLFESZZIU-LLVKDONJSA-N 425.264 1.646 30 10 IDEE CCOC(=O)CN[C@H](C(=O)N1CC[C@@H]1C(=O)NCc1ccc(C#N)cc1)C1CCCCC1 59980137 OBOJZPLHHDGCCL-IRLDBZIGSA-N 440.544 1.877 30 10 IDEE N#Cc1cccnc1N1CCN(CCOCCN2CCN(c3ncccc3C#N)CC2)CC1 484992925 MKGMGDSEIMKBGP-UHFFFAOYSA-N 446.559 1.181 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1C#N 489121202 GDNIUVPXYVEFMN-UHFFFAOYSA-N 425.514 1.157 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCc1nnc2n1CCC2 489169012 GMTVPMDCVGAQTM-UHFFFAOYSA-N 434.294 1.995 30 10 IDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)c2)CC1 505263579 FOWYFSHPFOVPHH-UHFFFAOYSA-N 447.561 1.104 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1cccc(C)c1 508493685 MLRHCJVQQVVLTI-GOSISDBHSA-N 435.550 1.621 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)ccc1F 517156017 GFRNSAAAZRKGIO-INIZCTEOSA-N 427.501 1.318 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3nccn3C)CC2)cc1 517325670 QVSVWNBLTMIPTB-UHFFFAOYSA-N 432.550 1.576 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(C)C)cc2)c(=O)n1C[C@@H]1CCCO1 517353600 RGOYETMMVAIRMQ-SFHVURJKSA-N 441.553 1.373 30 10 IDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)o1 518017287 BLHIBNYKNUHZBJ-UHFFFAOYSA-N 438.484 1.347 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1C[C@@H]1CCCO1 520625644 TWNRSQYQMFDKHO-INIZCTEOSA-N 439.537 1.051 30 10 IDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)cccc2c1 538592054 UTUGUWNNQRSERP-HNNXBMFYSA-N 439.501 1.101 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1[C@@H](C)c1cccs1 540695157 XWEQXWRMSRZQSR-ZDUSSCGKSA-N 440.550 1.542 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CC2)n1 545545567 JHMNDWHRSDVZDW-UHFFFAOYSA-N 425.514 1.604 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 549265731 IRLOACSYTBPZOE-OALUTQOASA-N 447.561 1.765 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@H]2CCOC2)n1 549693908 PKTGEDRNPAXNFO-LJQANCHMSA-N 447.547 1.770 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)(C)C)CC1 572613261 MHFVLLFJEGGART-QGZVFWFLSA-N 441.598 1.971 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2nc(Cc3cccc(Br)c3)no2)CC1 597068964 SUOOQIYQXQLTEH-UHFFFAOYSA-N 434.338 1.843 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 604387349 CPAFWAVCTOFVFW-MRXNPFEDSA-N 428.514 1.900 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669803937 AQFUCFDVWPLHLP-INIZCTEOSA-N 426.477 1.621 30 10 IDEE N#Cc1ccc(C(=O)CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 671184440 DHZJQXUEYDRZCL-UHFFFAOYSA-N 433.511 1.504 30 10 IDEE C#CCN(C(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)[C@@H]1CCS(=O)(=O)C1 729333835 ADXDWWFKUCEGBI-CQSZACIVSA-N 434.543 1.092 30 10 IDEE CS(=O)(=O)N(c1cccc(C(=O)/C=C/c2ccc(-n3cncn3)cc2)c1)S(C)(=O)=O 729823850 SAKQKAHRZWSKAP-DHZHZOJOSA-N 446.510 1.889 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)/C=C/c1ccccc1Br 731851185 LAGVJFXUOJVLGJ-RSIZYICOSA-N 426.292 1.866 30 10 IDEE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCN/C(O)=C1\N=CC=CC1=O 732152468 CDBXGNBUQHEVSE-FMQUCBEESA-N 449.492 1.768 30 10 IDEE N#C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)s2)CCN1C1CC1 732651616 DUHVUAPCLKVWHN-HDICACEKSA-N 438.557 1.373 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc(F)cc2)c1=O 743725247 KOHCHKGSBOMPJS-UHFFFAOYSA-N 440.525 1.929 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)c1 744553382 JIOAQFKCCUDYKY-CQSZACIVSA-N 432.502 1.536 30 10 IDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 748408505 XEPNEROJZOWTHB-NRFANRHFSA-N 449.463 1.534 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755191024 ZLCROADTPLKJNS-QGZVFWFLSA-N 428.489 1.504 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NCc2ccccc2)C1=O 771581979 ICRHOHUYEXEUCO-XDHUDOTRSA-N 448.479 1.796 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CC(C)C 772899173 TXVNXYMQFYCFJJ-UHFFFAOYSA-N 448.614 1.486 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 777284198 BUNPDGNVTCTQQL-QGZVFWFLSA-N 437.518 1.920 30 10 IDEE COC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 784948996 VLVLERCHPDIQRG-NSHDSACASA-N 433.280 1.165 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 788884163 QFNRQURLWNEMFW-UHFFFAOYSA-N 443.523 1.975 30 10 IDEE Cc1nn(-c2ccccn2)c(C)c1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 802721848 IUCQLTDSNJCYST-QGZVFWFLSA-N 432.509 1.313 30 10 IDEE N#CCCNC(=O)COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 811365098 WAOQZDJTOZBXBG-KPRAIHJYSA-N 433.464 1.039 30 10 IDEE Cc1nsc(N2CCN(CN3C(=O)N[C@@]4(CC(C)(C)OC4(C)C)C3=O)CC2)c1C#N 811785623 FCKTZFFMBYORTH-FQEVSTJZSA-N 432.550 1.671 30 10 IDEE C#CCONC(=O)c1cc(Br)c(C(=O)NOCC#C)cc1Br 812782419 YNFIMPSGRWUFFA-UHFFFAOYSA-N 430.052 1.801 30 10 IDEE Cn1c(N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 813628136 NVGCKQASDQKFJA-MJGOQNOKSA-N 437.500 1.487 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C)c3ccccc3Cl)CC2)c1=O 913062190 JOIPNIMGEIWNHZ-QGZVFWFLSA-N 445.951 1.533 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1 1084098899 YPISNNKSTMEWGJ-UHFFFAOYSA-N 443.489 1.266 30 10 IDEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1C 1084605682 WGDFXHSUEJXLEM-UHFFFAOYSA-N 446.566 1.933 30 10 IDEE N#CC(=NNc1ccccc1C(=O)O)[C@@H]1NC(=O)C(=NNc2ccccc2C(=O)O)S1 1088734498 FSMFPOCWDWCRFC-MRXNPFEDSA-N 438.425 1.989 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1132938466 YYFIYVTXYAFBNT-UHFFFAOYSA-N 432.550 1.517 30 10 IDEE CC(C)(C)OC(=O)N(CCO)C1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 1175210719 DTMJNDSDQKUXKX-UHFFFAOYSA-N 438.550 1.421 30 10 IDEE COC(=O)C1CC2(C1)CN([C@@H](C(N)=O)c1ccc(C#N)cc1)C[C@@H]2C(=O)OC(C)(C)C 1176052252 NCBDWQVEZZSNSO-SRXHXZOOSA-N 427.501 1.928 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)s1 1177114350 UQHFEWIJAXFXPW-UHFFFAOYSA-N 431.543 1.370 30 10 IDEE COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1179029067 IKQGIZWHGSVDKT-SWYKZNPTSA-N 431.493 1.397 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286416356 YQAUVIYYAIPKOD-JOCHJYFZSA-N 448.571 1.494 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1286430590 OZMBOOMZOYIUNV-NRFANRHFSA-N 434.544 1.681 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286504882 RRTLTIYKYJQAFI-UHFFFAOYSA-N 434.591 1.533 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1286509110 MQRLHRRXYLUHPP-KRWDZBQOSA-N 441.623 1.604 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1286607765 KAYVJWPOPOFQBB-FUHWJXTLSA-N 436.534 1.944 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286785880 SOVNMFMBADQIDG-INIZCTEOSA-N 449.519 1.040 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOC2(CCOCC2)C1 1286822976 PZAZWTQKNCZFPB-UHFFFAOYSA-N 447.561 1.251 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286833083 UXGFABDELRPRQE-HOTGVXAUSA-N 441.623 1.594 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1287776350 IWVGJCHYFYLVBU-KGLIPLIRSA-N 431.917 1.645 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1288550475 BXHJSCMACNVFRK-NGFNCXNUSA-N 430.534 1.340 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCO[C@@](C)(C#N)C3)CC2=O)cc1 1289338676 CEQNOGCLSIYKFA-IERDGZPVSA-N 448.545 1.211 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)NCCCC)C2)s1 1292430515 YJACEPPXLPNRDX-OAHLLOKOSA-N 427.592 1.910 30 10 IDEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CC1 1299657210 DFGVGVYRBIKIMT-LJQANCHMSA-N 444.561 1.713 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1300489627 QMEIEZHCNJBUPM-HXUWFJFHSA-N 449.540 1.649 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1300526631 LKDYCCBBZGPVCQ-UHFFFAOYSA-N 440.554 1.761 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCOCC2)c1 1300530123 ZEMRGOJOWMKKLE-UHFFFAOYSA-N 429.528 1.632 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1300578272 KETQZHXWSQEUKW-UXHICEINSA-N 447.605 1.144 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1300989930 HIYPWNGWLFFPNL-ROUUACIJSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(Cn2cncn2)CC1 1301507337 ZQQDZCOYBGYLPZ-UHFFFAOYSA-N 434.548 1.988 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2ncc(Cl)n2C)nnc1[C@]1(OCC)CCOC1 1301517762 BYTNMCRXXZSNOE-IBGZPJMESA-N 437.932 1.256 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NC)CC1 1301587869 AMMDYJVMOJFHSZ-MRXNPFEDSA-N 425.555 1.083 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCN(C)C1 1301808467 DPOZQWOYJOJKSM-NRFANRHFSA-N 434.491 1.580 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCCCCCO)cc1 1302991364 GHJZZFHIOUZDME-UYAOXDASSA-N 438.532 1.996 30 10 IDEE C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1307291604 VRZGTUJOZXIKBA-JOCHJYFZSA-N 432.392 1.661 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1313752224 CUOJTLCCWIQJGU-HNNXBMFYSA-N 429.506 1.453 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1316046127 ZNCJNWXCJATERQ-HXUWFJFHSA-N 437.504 1.867 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC=CCC3)n2CCNS(=O)(=O)Cc2ccon2)c1 1316528314 BZDDOFZBOJALQR-UHFFFAOYSA-N 439.501 1.691 30 10 IDEE C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 1317742757 ZOSDMWRVQBFXLO-LEBHLANCSA-N 435.484 1.942 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC(=O)N(CCOC)C1 1358877797 KQFLSHMJIHMKIO-HOTGVXAUSA-N 426.477 1.806 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1358919289 YOXXGBMCPWHMSI-UHFFFAOYSA-N 436.582 1.178 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[C@H](O)C1 1358941218 BKKUHEVCRRLIAC-WMZOPIPTSA-N 431.562 1.816 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1359028236 LVOZCCHJMHBXOW-LJQANCHMSA-N 429.613 1.682 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C2CC2)N(C)C)CC1 1359046588 XWJKDVQEXJYKCF-OAQYLSRUSA-N 435.576 1.570 30 10 IDEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1359062373 FTRYBIAONFHTQI-NRFANRHFSA-N 435.594 1.601 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(C)=O)C[C@H]1C 1359303522 RHUILMONKRFXGB-QGZVFWFLSA-N 435.532 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359330628 XSAODJJKUYNCOT-HNNXBMFYSA-N 434.522 1.218 30 10 IDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1359406382 CRTOITJKOXYCPE-WMLDXEAASA-N 430.534 1.783 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1359411939 CLTFIXXYVCASQX-UHFFFAOYSA-N 434.508 1.272 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1360169585 KXCKAXQLZBMLBY-UHFFFAOYSA-N 435.492 1.135 30 10 IDEE Cn1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(I)n1 1360313164 JFTSUTBNYHKEFC-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCO[C@H]1CCOC1 1360679325 UCHLIVAYOVKRFR-WBVHZDCISA-N 440.570 1.214 30 10 IDEE C#CCN(CC(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 1448340204 BQRXVOCARDEANJ-UHFFFAOYSA-N 437.509 1.374 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 1455928706 OJBXCPQFCUDZJG-NVXWUHKLSA-N 435.546 1.831 30 10 IDEE C#C[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC)C1CCOCC1 1457949925 MPYQASCLKPHEHW-INIZCTEOSA-N 427.505 1.501 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1464912792 ODKPOUDNFNIRAO-CNNODRBYSA-N 430.574 1.748 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)CNC(=O)N2C 1469278976 HUOGSUHABACGTI-MRXNPFEDSA-N 447.561 1.156 30 10 IDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CCCCC1 1478988240 JONCYPRQPUZIHO-UHFFFAOYSA-N 445.545 1.671 30 10 IDEE CCCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1500593716 PTIYCCCVLANYLC-SFHVURJKSA-N 439.520 1.865 30 10 IDEE COc1ccncc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1504458749 DTIYTISZZJIVLO-QRWLVFNGSA-N 430.534 1.762 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-n2cccn2)cc1 1505002715 XLNRPNKKOSOVPH-FXAWDEMLSA-N 437.504 1.965 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1505326092 NCSUNVRTZNISAZ-PMPSAXMXSA-N 443.458 1.354 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507630712 GFLKXRPZTBPDFM-INIZCTEOSA-N 428.518 1.747 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507632975 QZTJXIXPSLUBOW-CABCVRRESA-N 436.563 1.007 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1ccc(-n2cncn2)nc1 1507655958 ARNYANMCEBALFU-UHFFFAOYSA-N 438.495 1.996 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cnn(CCOC)c2)CC1 1507737586 CJQABTUBBAOYHV-UHFFFAOYSA-N 425.537 1.403 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1507820913 PNUMGNUDOCTVKG-JKSUJKDBSA-N 430.596 1.550 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1508018352 CVBOHNJFPBKVID-SFHVURJKSA-N 429.546 1.700 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508664590 OQBJMQKQXZYTRJ-WMZOPIPTSA-N 445.568 1.873 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1509953119 KQOCNUKPQZRFOS-BRWVUGGUSA-N 425.555 1.504 30 10 IDEE Cc1c(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1510500350 HRHWHOLBRXZIGO-HNNXBMFYSA-N 445.325 1.865 30 10 IDEE CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1515557212 BQOONITWCYDHAJ-SFHVURJKSA-N 439.564 1.842 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1517434613 FXMOLSOOKULQDA-KRWDZBQOSA-N 444.561 1.460 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1517631140 PPHTWLWQOXPILH-CEXWTWQISA-N 444.561 1.812 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(-n3ccnn3)ccc2F)c1 1526860962 UNLVGXVLMNNEGK-UHFFFAOYSA-N 433.443 1.893 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CC[C@H]2[C@H](CNC(=O)OC(C)(C)C)C3)C1=O 1532809326 AXWLFECNWKXBIA-KKUMJFAQSA-N 434.493 1.115 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1535553042 PEWBDBONKICYTE-HNNXBMFYSA-N 425.938 1.140 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1539430464 KFGJEWOIDLQTOH-HKBOAZHASA-N 432.613 1.878 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)c2ccccc2)CC1 1539431562 SPPHTVPZLVYJTI-GOSISDBHSA-N 428.562 1.357 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539633276 XVKPYHSQSQLKDX-ZRNYENFQSA-N 433.553 1.495 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1CC 1540037093 BASGWKUJUZEYNO-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540875199 DLSQCASMYCEGKK-UXHICEINSA-N 441.532 1.852 30 10 IDEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)CC1 1540919639 UHPZJASLQXDRAW-UHFFFAOYSA-N 427.621 1.931 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)c1 1542685888 AJUDRKLNMRZYKY-TZIWHRDSSA-N 440.548 1.863 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1542912658 URGGSSLSXOQIEA-INIZCTEOSA-N 442.549 1.752 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1544085773 HYYKSUGYNRJYPL-UHHPSXQGSA-N 429.525 1.569 30 10 IDEE CN(C)CCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1552866477 AQRCIBALMFKZKX-JOCHJYFZSA-N 446.575 1.116 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1555637117 PDJXOIJXRXKCNY-UEXGIBASSA-N 438.548 1.945 30 10 IDEE CS(=O)(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C#N)CC1 1555818247 TZYXUKNSFOUONF-UHFFFAOYSA-N 441.561 1.960 30 10 IDEE COC(=O)c1ccc2c(c1)OCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1558755823 CABXPJYUGZLVOM-UHFFFAOYSA-N 428.466 1.681 30 10 IDEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1563000881 QHFRVDZBBATBPV-NWDGAFQWSA-N 427.445 1.274 30 10 IDEE COc1ccc(CN2CC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2=O)cc1 1565746532 RIHOTBQCIVHMID-LJQANCHMSA-N 445.472 1.662 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588054629 OWSLCXRTGKPOGK-MOPGFXCFSA-N 429.546 1.784 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2ccnn2)CC1 1588791285 QVTJZVYYJGWEQB-UHFFFAOYSA-N 436.520 1.399 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1588801188 YOBYCVPOCWSCCL-UHFFFAOYSA-N 437.548 1.962 30 10 IDEE COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1595465657 NBWMLJGICUFDDN-MRXNPFEDSA-N 446.570 1.084 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595530174 VPHLGZDCUAGLEV-UHFFFAOYSA-N 436.476 1.810 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595601910 ADWIKWSYLWVKQS-QWFCFKBJSA-N 441.580 1.675 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(=O)N(C)C)CCCC2)C1 1595714436 NVDPPPFPEWUJHI-DLBZAZTESA-N 430.553 1.659 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(O)nc4c(Br)cccc34)C[C@H]1CS(=O)(=O)C2 1598568484 UVCBLBQYXIBIMA-DYZYQPBXSA-N 436.287 1.713 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1611292080 JGQRAKBFSAPVGG-WBVHZDCISA-N 433.534 1.892 30 10 IDEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1613605844 FJXKOOGYUFYPCW-JKSUJKDBSA-N 441.540 1.218 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1O 1620300156 WJYILOVZKCJOTN-BEFAXECRSA-N 429.546 1.849 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 1623729950 FRYTVQKSSLRUGJ-IBGZPJMESA-N 426.448 1.633 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1623951692 SSHOSMQDYISKBZ-GLJUWKHASA-N 436.958 1.875 30 10 IDEE C=CC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1626325634 WJNDGQBVDDOSMB-IBGZPJMESA-N 429.542 1.970 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 1628147167 YEBBXADIBHSDET-DEOSSOPVSA-N 427.545 1.685 30 10 IDEE C#CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1630857212 XUYJKBSQWYUZHL-QGZVFWFLSA-N 446.978 1.293 30 10 IDEE C=C1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1632674905 LIERIZBTRFYVNE-ZDUSSCGKSA-N 439.843 1.670 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1 1632961410 ZIQQGYWXVYXFES-UHFFFAOYSA-N 437.525 1.559 30 10 IDEE C=C(Cl)C[C@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OCC 1635606437 IDFGSZRKAUEXHF-ZETCQYMHSA-N 444.511 1.994 30 10 IDEE N#Cc1cn(CC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c(=O)nc1O 1638518963 ABTFVPOIJOICOG-UHFFFAOYSA-N 438.362 1.229 30 10 IDEE C#CC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O)C(=O)OC 1638826047 GYVQYFOCFCWHEQ-SJORKVTESA-N 434.290 1.659 30 10 IDEE N#Cc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ncc1Br 1639524060 QWNKWPDQRHMCPG-UHFFFAOYSA-N 430.310 1.669 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4ccccc4)c3Br)C2)c(=O)nc1O 1640636494 IUIJOZWCRIZHQX-UHFFFAOYSA-N 441.245 1.466 30 10 IDEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CCOCC1 1645986910 OLKURSCBRIDKHL-VSZNYVQBSA-N 440.562 1.201 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCCc2cc(OC)c(O)c(OC)c2)c1 1647745885 KXKQTORLFJRPIA-UHFFFAOYSA-N 432.498 1.684 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(Br)c(Br)[nH]3)C[C@H]1CS(=O)(=O)C2 1648155720 OIEUUMIFCHWXPG-JVXZTZIISA-N 437.113 1.550 30 10 IDEE C=CCN(C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)[C@@H]1CCS(=O)(=O)C1 1652734935 KLHPJTXEZLIUKI-QZTJIDSGSA-N 446.491 1.842 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)C1 1666053814 ZZHSDVJABQJMBP-LBPRGKRZSA-N 433.299 1.751 30 10 IDEE CC#CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1672407370 CYZUPVVEMGYLLA-UHFFFAOYSA-N 436.534 1.031 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1684835896 CITVNJGMKWLCOU-JOCHJYFZSA-N 429.565 1.513 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 1685643690 XSTFQNQMMRWGQY-UHFFFAOYSA-N 427.530 1.670 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1c(CC)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1 1689980117 LWMJALXTQZHJPN-OAHLLOKOSA-N 434.566 1.381 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 1689980874 YSNSTDLPTVJXDX-INIZCTEOSA-N 433.534 1.489 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1690043019 LVDXQPMZAVYIJD-QGZVFWFLSA-N 427.578 1.651 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)c(Cl)c2)CC1 1690131158 UUDOCUUWXQZEJP-UHFFFAOYSA-N 442.951 1.866 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)OC)CC1 1690140280 SYGRBZVIQYTLKO-MRXNPFEDSA-N 441.532 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@H](C)O)cc2)CC1 1690141810 CIWZGVRWBFECJZ-KRWDZBQOSA-N 447.543 1.746 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCOCC2)CC1 1690142759 TXWSQHQTOKROHD-UHFFFAOYSA-N 437.548 1.028 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1690154541 QRAGATTUMSVUEC-CQSZACIVSA-N 432.516 1.856 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)C1 1690700201 OTRJUKDGGZOMRV-LSDHHAIUSA-N 436.538 1.150 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1690729522 OVYLAFCGYVURES-MOPGFXCFSA-N 448.593 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1690731603 NOVUZSWKEPZYFN-GOSISDBHSA-N 434.566 1.848 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1692572497 KRISNMJZADQYRF-CYBMUJFWSA-N 437.526 1.072 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1692655097 CJOZHRBZTMFZEL-CQSZACIVSA-N 447.517 1.352 30 10 IDEE CC/C=C/Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1694992250 COSBWWCJKYFKTN-OAJJDEHYSA-N 441.561 1.740 30 10 IDEE CCCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1695265223 BIUKNBMCCFBSIY-DLBZAZTESA-N 425.493 1.580 30 10 IDEE CO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1697131368 CYKHTKUFIBJXPL-GYSYKLTISA-N 442.439 1.298 30 10 IDEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCOCC2)CC1 1698494004 DFDOYKKAGCCZIB-UHFFFAOYSA-N 444.561 1.941 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1705478097 WLPYKUXJBAFATE-IRXDYDNUSA-N 441.561 1.639 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCOCC1 1705629145 YGXUWCIMKRMSRG-LJQANCHMSA-N 428.489 1.418 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1 1705645438 ULTZCPORTIXGIW-INIZCTEOSA-N 440.504 1.481 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCn1cccn1 1705697597 MSCJZOCMQNPZFN-ULQDDVLXSA-N 437.570 1.202 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705828118 COSBGZDXJKNBQX-IBGZPJMESA-N 428.537 1.704 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705896680 USHUORQEALKZHS-GASCZTMLSA-N 434.294 1.571 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1706749641 ZRWBFVMQXMSZSK-QLFBSQMISA-N 425.484 1.324 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N1CCOCC1 1708526656 BWHZEWHEYLIVRK-GOSISDBHSA-N 437.548 1.849 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1708728610 ACVZENKIGBTMSZ-INIZCTEOSA-N 433.410 1.317 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)c1 1711703126 HUBPAYHKTPLFIV-WIYYLYMNSA-N 429.477 1.497 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1712182809 JTNYBESJFUEHRX-HKUYNNGSSA-N 446.483 1.055 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCOC(F)(F)F)c1 1712878153 HHVZCYLTTSMDPA-OAHLLOKOSA-N 435.410 1.957 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1722319315 YOQCPTMCXIKXPN-UHFFFAOYSA-N 438.536 1.329 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1C(C)(C)C 1722428383 VMXOHBKXEQEBMD-WMZOPIPTSA-N 431.541 1.483 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(=O)N(CCOC)C1 1722512680 KNWQXWZUEWNDCK-INIZCTEOSA-N 444.536 1.903 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722592847 ADBZHUMCYQIJNA-PGRDOPGGSA-N 435.569 1.874 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722698157 UUMQPYODFVDVDR-UHFFFAOYSA-N 426.525 1.303 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(OCC(N)=O)CC1 1722725071 DKWWONXUKZXNEI-UHFFFAOYSA-N 447.561 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722727803 RKIKGMZVDCPYAJ-MRXNPFEDSA-N 430.596 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722728341 UWERGXPSJVRQRY-ZWKOTPCHSA-N 448.593 1.890 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1722728808 YYNAOGQMDCJYRI-UHFFFAOYSA-N 449.625 1.836 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1726446429 OYZYXTYFFCGOAG-INIZCTEOSA-N 435.532 1.790 30 10 IDEE CN(CCn1cccn1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729540120 RXWHOSNLJWCJOS-MRCUWXFGSA-N 438.536 1.870 30 10 IDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 1731002196 CXQBAWCYEHODKW-KRWDZBQOSA-N 442.545 1.343 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCCC1 1740547038 NGYQHDWGVQBKHD-HNNXBMFYSA-N 443.577 1.742 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1740586670 JDDYBLLKDARDBE-UHFFFAOYSA-N 440.548 1.634 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1740610800 LQWPFSKGVWGMJM-LJQANCHMSA-N 443.529 1.783 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C(C)C)N1CCOCC1 1740659156 VGFBJTWDWFIPFS-JOCHJYFZSA-N 437.592 1.959 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1740709769 RDEZXEIYSAYNIW-CABCVRRESA-N 429.612 1.506 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740721383 HGLPIMCKDBBWKM-CRAIPNDOSA-N 448.520 1.723 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740791895 AZSIQUQAQBUUJI-KURKYZTESA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740951549 IHGZVUHBNNONOM-MRXNPFEDSA-N 426.521 1.762 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1740951775 NLUVBSYLQWELLL-GJZGRUSLSA-N 446.939 1.777 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740966802 XNMXWNRJVBBUCK-HSALFYBXSA-N 445.612 1.427 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741653316 SFYKOCHUHGTCJQ-VLGSPTGOSA-N 429.525 1.569 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCCO1 1743244039 FORIMWWJPKKKEX-WMZOPIPTSA-N 444.561 1.713 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)CC1 1746458665 DMTCLYSZLGPHPT-TZIWHRDSSA-N 438.580 1.266 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748635732 WQOCWMKKPQQTCW-LJQANCHMSA-N 449.559 1.321 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1748672090 QFEYFXYVNOONFX-HZPDHXFCSA-N 427.571 1.274 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C(F)(F)F)cs1 1748790761 LVGSYUDTENCYNT-NSHDSACASA-N 433.481 1.968 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1748802905 TWOOWQBHAACLEW-HNNXBMFYSA-N 435.575 1.347 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748815626 SFEZYQSUWNCBRC-LJQANCHMSA-N 441.557 1.489 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1749054181 PHOMXQUIZSZVGK-QVKFZJNVSA-N 444.561 1.887 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1749670939 XMMMGJVWDLXQFR-ZWKOTPCHSA-N 433.553 1.496 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1749700550 LAJQJKZNGVNFPS-IBGZPJMESA-N 442.545 1.634 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1749707179 AZNCEXBRWIYNRB-QRVBRYPASA-N 432.569 1.367 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749721650 QCVKBCWJYRBRRF-JKSUJKDBSA-N 425.555 1.022 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1749832648 PWZDTAYCYPBXGS-IYBDPMFKSA-N 434.541 1.940 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760156054 SNGGNMCLJAPBNF-IBGZPJMESA-N 436.541 1.557 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760190497 WZHCNFOREOOKLC-IBGZPJMESA-N 442.589 1.761 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)nc2OC)CC1 1760259826 HNGLPANSZOSPRV-UHFFFAOYSA-N 433.516 1.864 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760316727 WHXCRNHHDKHVGW-RBUKOAKNSA-N 441.598 1.445 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOCC1 1760564250 SXDSHZABUPVPAV-UHFFFAOYSA-N 434.566 1.693 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1760689529 ZCPKDXNXZFOYPQ-CABCVRRESA-N 448.549 1.578 30 10 IDEE CC(C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760935156 MXHGMDRIWMDLKX-BMRADRMJSA-N 441.458 1.612 30 10 IDEE CC1(C)CN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCO1 1761567056 LHVQPNVOPRAOBV-INIZCTEOSA-N 446.502 1.987 30 10 IDEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1767269292 UMJRFOHDWCILOY-UHFFFAOYSA-N 439.488 1.848 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1767384508 AOSYKODFECDOQI-VFNWGFHPSA-N 427.509 1.928 30 10 IDEE CN(C)[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCSC1 1768490864 IDBSWQKYYILHGZ-NRFANRHFSA-N 441.561 1.102 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1769271890 FNMBFFSITSZMHA-QGZVFWFLSA-N 427.484 1.795 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1769922782 VVZKFTVDYOJNQS-ZWKOTPCHSA-N 440.504 1.606 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCNC(=O)C2CCC2)cc1 1770740103 JCOLXYNTEYMIIY-UHFFFAOYSA-N 442.545 1.358 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)cc1 1771534589 HLIMKVBYJVIUNF-UHFFFAOYSA-N 435.488 1.328 30 10 IDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 1851774590 RGYKLWMIAPENBW-OLZOCXBDSA-N 425.942 1.825 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)C(=O)C1 1854556744 PQVFPCOAGBTKNQ-IBGZPJMESA-N 431.901 1.996 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCCO3)C2)CC1 1855451731 JBFHRDRKYUOUFP-ZWKOTPCHSA-N 431.514 1.513 30 10 IDEE CC1(C)C(=O)N(C(=O)COc2ccc(Cl)cc2Cl)CCN1S(=O)(=O)CC#N 1856112644 BWICOJFROODORM-UHFFFAOYSA-N 434.301 1.675 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)C1 1856438476 BOVUPATXSJGDPH-KRWDZBQOSA-N 432.546 1.838 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCC(C)C)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865720270 PDOLODRDNRDVBM-INIZCTEOSA-N 440.500 1.116 30 10 IDEE C#CCOC1CN(C(=O)C[C@H]2Cn3c(nc4c(cnn4-c4cccc(C)c4)c3=O)S2)C1 1891738692 OJKBGOBYWRROKZ-KRWDZBQOSA-N 435.509 1.616 30 10 IDEE Cc1nc(I)c(I)n1CC(=O)NCCC#N 1936389517 UYPHUJPFIJJLBA-UHFFFAOYSA-N 444.014 1.431 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987531098 MWOBJNLZHBFJDH-ARFHVFGLSA-N 425.526 1.780 30 10 IDEE C=CCn1ncc(NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106021666 IUHDRJRCAIGYJC-KRWDZBQOSA-N 429.315 1.976 30 10 IDEE C#CC(CC)(CC)NC(=O)C[S@@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2195298226 LQPHNTCTCDTISW-ZQHDKMAOSA-N 436.530 1.813 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247835228 IBOINWZPGWEHRC-MRXNPFEDSA-N 433.261 1.725 30 10 IDEE C[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247878975 QVJXORFHZPTXMN-MRXNPFEDSA-N 432.351 1.953 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)co2)OC1(C)C 2255542354 QIKNOOWFZVDPCY-HSZRJFAPSA-N 426.322 1.946 30 10 IDEE Cn1cc(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255609864 LEIZXXZGHFYUKO-KGLIPLIRSA-N 434.346 1.610 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2255626563 HMFAHOQLMPTQOI-KBPBESRZSA-N 432.330 1.648 30 10 IDEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255639568 PPUBLQFOBDXYLX-KRWDZBQOSA-N 442.394 1.646 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267137533 RFUJCEFKTVTYCF-SQWLQELKSA-N 446.357 1.765 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2267503940 LKZXFSLXFPWMOV-NEPJUHHUSA-N 444.263 1.248 30 10 IDEE CON(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267882360 RKFLNGZPFRCZQQ-AWEZNQCLSA-N 448.329 1.789 30 10 IDEE C[C@@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1nscc1B1OC(C)(C)C(C)(C)O1 2277960944 NTUSBKLYLRYIPP-LLVKDONJSA-N 430.357 1.328 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2298461712 HMKYZXUAMLUTLA-RBSFLKMASA-N 426.319 1.021 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2312855635 DOSSLJGHVYKTGD-AEGPPILISA-N 432.330 1.457 30 10 IDEE CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c1 20436941 HKUNWXCBYDVMSF-UHFFFAOYSA-N 449.558 1.810 30 10 IDEE C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23754066 JBRUBYRSUSZFBQ-OAHLLOKOSA-N 443.485 1.800 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CC1 32275080 SWKNNMGWAJYWHD-UHFFFAOYSA-N 430.530 1.887 30 10 IDEE COc1ccc([C@H]2NC(=O)N([C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)c(OC)c1 431598105 WWXCIPZUTDSSIL-AZUAARDMSA-N 434.452 1.969 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)s4)CC3)C2=O)n(C)n1 435422333 NUQMOOFMRGJSOA-INIZCTEOSA-N 448.574 1.164 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 436463235 XAYNGRQQYBFOKH-MOPGFXCFSA-N 426.498 1.832 30 10 IDEE Cc1nccc(Cn2c(=CC(=O)C3CC3)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)n1 479582496 CLEGDIBCTLLUJH-UHFFFAOYSA-N 438.459 1.795 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C#N)cn1CCOC 481344746 KZKLYOYNPHQTAK-HOCLYGCPSA-N 431.493 1.705 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482555975 JVJVBGRQYSLUIU-CQSZACIVSA-N 442.566 1.297 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 505395742 NNAVBAZNAMREQX-KRWDZBQOSA-N 448.589 1.356 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccc(OC)cc1 508924569 YGJLHFVERRDXCG-LJQANCHMSA-N 449.577 1.875 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1-c1ccccc1C#N 515663739 LBOYCZHKPMUTNS-UHFFFAOYSA-N 448.454 1.831 30 10 IDEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544889920 GUUNSDZHTNLIJB-HNNXBMFYSA-N 428.518 1.454 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 549706367 QXKISVWDIQMHTH-HZPDHXFCSA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@@H]1CCCO1 603798955 QBJHHEVCSNTVSW-ZDUSSCGKSA-N 447.919 1.687 30 10 IDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 679629099 RIWKEVYRTYAWHU-UHFFFAOYSA-N 438.369 1.729 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 679754933 GKPIVTHBPGURSS-UHFFFAOYSA-N 427.526 1.097 30 10 IDEE C=C(Br)CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Br 704541825 OSBKSQOBMSQAKQ-UHFFFAOYSA-N 434.131 1.747 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1c(C)cccc1C 727415151 JUCKPDXBRSQFII-UHFFFAOYSA-N 437.521 1.765 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H](C)c1cccs1 729672486 QFOHTYUFIMCKPN-CYBMUJFWSA-N 435.534 1.477 30 10 IDEE COc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c1 732978949 ZKLGFKOHQPANBS-HNNXBMFYSA-N 433.436 1.725 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 743902723 COATWAQKROCNLO-UHFFFAOYSA-N 429.370 1.836 30 10 IDEE CN(C)C(=O)C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccc(Cl)cc21 743909366 YPFCKWLMIYHHFD-YOEHRIQHSA-N 443.935 1.447 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCCCN3C(=O)CS/C3=C/C(=O)OC)cc2C1=O 748857734 OUKVUKOBTCVIIT-GZTJUZNOSA-N 444.465 1.605 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCCN2C(=O)COc3ccccc32)C1 758534189 CZPZVUOMISLBHR-JKSUJKDBSA-N 443.504 1.860 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C1=O 771436481 CWMQYQUTRGWSMH-YADHBBJMSA-N 442.472 1.122 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1Cl 771540868 IOJADJXKFSRBCC-CQSZACIVSA-N 433.925 1.706 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)n1 788333423 ZGXSNJWBIFHUAE-IBGZPJMESA-N 426.473 1.314 30 10 IDEE C[C@H]1C[C@@]2(CCO1)CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C[C@H](C)O2 797775709 JLSCYYCHGBSSRW-JXSLOMFPSA-N 435.546 1.689 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)NCc3ccc(C#N)c(OC)c3)cc2S1(=O)=O 812250108 ZOOWTROUODGRFN-UHFFFAOYSA-N 429.454 1.288 30 10 IDEE COC(=O)c1cc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)cc1F 813689287 IEFMIHDCDCFNEB-WFASDCNBSA-N 441.481 1.958 30 10 IDEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@H]1CCNC(=O)CC1 815910266 TVDPGPVQZRUTQW-QAPCUYQASA-N 446.529 1.425 30 10 IDEE CN(CC(=O)Nc1cccc(F)c1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 913066655 GOGVBBDHKKHFEY-UHFFFAOYSA-N 432.477 1.742 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)Cc1ccccc1 916807994 WELSRNIPGXVFBY-QGZVFWFLSA-N 449.554 1.786 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1132193444 ZIDXVHPJJAXREA-QRWLVFNGSA-N 437.880 1.653 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 1136206203 BDUYNTSBBSBXQQ-VTFYZGIISA-N 435.546 1.232 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(Cn3cccnc3=O)c2)s1 1141891560 YOASLCHESRATMN-UHFFFAOYSA-N 444.538 1.999 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)c1 1144418367 ZQHPWFNWFMTRKV-UHFFFAOYSA-N 435.523 1.696 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(O)nc(S)n1 1164338924 QPHNCWJSGOARAW-UHFFFAOYSA-N 435.531 1.386 30 10 IDEE N#Cc1ccccc1OC[C@@H](O)CN1CCN(CCNC(=O)c2ccccc2F)CC1 1167467193 GOOPIXAPYRTUFH-IBGZPJMESA-N 426.492 1.485 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@H]1CCOC1 1179422137 HKZVZAMXLBBZFV-MSOLQXFVSA-N 449.573 1.940 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H](COC2CCC2)C(=O)OC)ccc1F 1266147498 TWVKRLPOGCOQNE-MRXNPFEDSA-N 428.482 1.473 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](F)COC)c1 1286308684 BZUDESGOHPMCLV-NVXWUHKLSA-N 428.468 1.270 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1 1286419022 LRFYDLKNMWSZKF-UHFFFAOYSA-N 435.532 1.499 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1286419617 BJZOTAXBRBMGFK-KXBFYZLASA-N 435.575 1.320 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2c(C)noc2C)CC1 1286472569 JOUWEBFZBWHAKT-QFIPXVFZSA-N 428.537 1.533 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 1286478646 HXLWOTJKGHKUQK-UHFFFAOYSA-N 449.603 1.581 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1286495225 UCTGTVGMUQHJFH-UHFFFAOYSA-N 432.594 1.623 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286821980 XJBVDSIWVQMEGS-CALCHBBNSA-N 438.937 1.685 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccncc3)nnc2N(CCC#N)CC2CC2)CC1 1286889082 CPCSDZIKAQLPHR-UHFFFAOYSA-N 436.564 1.558 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1[C@@H]1C[C@H]1CF 1288860044 OACXIOSMRMLWHC-CWRNSKLLSA-N 448.528 1.012 30 10 IDEE N#CCc1ccsc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1290255463 UGLNTUSHFUCEMT-UHFFFAOYSA-N 432.527 1.952 30 10 IDEE C=C(CCC(=O)OC)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1290778337 PSFFUWIHGHCDFP-UHFFFAOYSA-N 437.500 1.816 30 10 IDEE C[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291093059 SKDBMOVFAZLPPI-PLGXQAJASA-N 427.509 1.382 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1297606294 POJJNYVZZDAESS-QFIPXVFZSA-N 426.521 1.127 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1300362927 BFUHRSPOJRHKIS-RTBURBONSA-N 449.621 1.972 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](c1cccs1)N1CCOCC1 1300529354 JKLZNNCFISXPLV-LJQANCHMSA-N 433.541 1.943 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1300603380 PYTLUNXXJWYTRO-FGZHOGPDSA-N 449.621 1.598 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(OC)CCOC1 1300671977 RYYXJUXFLZFPLT-KNQAVFIVSA-N 428.489 1.682 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 1300769260 CXUOAOPHQJNMMG-AWEZNQCLSA-N 432.575 1.338 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1300848323 DDTVMQMZLHQBSI-ZIAGYGMSSA-N 446.371 1.194 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300936897 RJPJRTJNCXCNAU-QAPCUYQASA-N 429.546 1.887 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301196500 CNWGFEZSGIBBFA-WBVHZDCISA-N 437.570 1.649 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1301403242 WSPGTHSXHHDGBR-XMMPIXPASA-N 438.576 1.702 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCCC)C1 1301547372 YZLLMYNIEZFMHM-SFHVURJKSA-N 437.508 1.228 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301578533 CXTKDXVYKCEPRZ-FUHWJXTLSA-N 444.561 1.497 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C(=O)OCC)C4(COC4)C3)ccc2c1=O 1303334716 JGRHCAXLYMUBCQ-HNNXBMFYSA-N 429.498 1.523 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(CC)C1CC1 1314393193 AMNQQYWRWIIGDT-KRWDZBQOSA-N 439.568 1.676 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1315429846 TZXYKARRYFTLEF-RWNPKEDZSA-N 438.488 1.705 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1316226375 ZQINKHHBVJYVNY-QZTJIDSGSA-N 435.525 1.113 30 10 IDEE C[S@@](=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)CC1 1316365274 FIPXLUIUEBNPQN-SFNQZPIRSA-N 436.538 1.623 30 10 IDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)COC)CC1 1358922161 VTFSPYNQDXSOBB-UHFFFAOYSA-N 449.353 1.755 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358965522 WUDPVYMAJJKOMC-FQEVSTJZSA-N 442.589 1.377 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1358970648 UMBIOOOIAWUQRM-DEOSSOPVSA-N 435.528 1.662 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359106067 XGFLSVFNHHOKAE-SIKLNZKXSA-N 446.596 1.540 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359334904 ULDMZHVALZMZKQ-MJGOQNOKSA-N 434.562 1.973 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359456310 VFULKBVITWJUFX-LSDHHAIUSA-N 432.550 1.601 30 10 IDEE Cc1ccn2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCC(C#N)CC3)nc2c1 1361115190 AKVMDVFHYLUHER-HNNXBMFYSA-N 442.549 1.633 30 10 IDEE C[C@@H](CC(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1471052607 AXKXULBDDAZFDC-HGQUKEQDSA-N 430.486 1.251 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@@H]2C(=O)NCC23CCOCC3)n(Cc2ccco2)c1C 1473831875 RFNKUQZPYBGEQF-LJQANCHMSA-N 425.489 1.441 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1503229201 UOYWWCDDQBUVRC-SFHVURJKSA-N 433.534 1.493 30 10 IDEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)n1 1504259950 FEHHCTADUUEKCJ-HXUWFJFHSA-N 429.456 1.417 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)C[C@H]1C 1504913072 GDTHDKCDIYIYTI-YLJYHZDGSA-N 428.537 1.635 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1505318623 OMTMTHABKRJECE-CPUCHLNUSA-N 432.422 1.835 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H]2COCCO2)CCO1 1505321676 DMEPWZRRDKEWQX-KBPBESRZSA-N 434.294 1.852 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1507525527 HILVGZVUSHIOMY-CVEARBPZSA-N 430.530 1.999 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1507527451 IBDKKHMUWBCNIS-INIZCTEOSA-N 441.557 1.834 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)c(OC)c1 1507711659 XVSULWAATRSIIY-LJQANCHMSA-N 446.573 1.826 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@H]2C[C@H]2C)n1 1507713995 FUGMFLLMSKERGU-QZTJIDSGSA-N 425.537 1.653 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1508003412 YFHWJYWUORXHCX-GOSISDBHSA-N 427.534 1.665 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1509717718 WEVMIIPBYKTJSX-JOCHJYFZSA-N 437.504 1.762 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1509803522 CCCNDLHVKPMCKX-LEWJYISDSA-N 436.532 1.923 30 10 IDEE Cc1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1511781285 YIDIBPRFVJALLQ-QURGRASLSA-N 446.515 1.994 30 10 IDEE Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511817056 BKPLUSDDBUGBDH-JQIJEIRASA-N 426.399 1.461 30 10 IDEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cs1 1513752290 UJGYOVVSGSHSSA-MEDUHNTESA-N 427.531 1.397 30 10 IDEE CCNC(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)CCC1 1515970622 BABRVCQNEIMXAG-UHFFFAOYSA-N 427.553 1.951 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1517021123 IUWNJJSJMXTSEC-LJQANCHMSA-N 435.536 1.865 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C2CC2)C[C@H]1O 1517688988 DUUCJFSMSJVSCG-XFQXTVEOSA-N 438.532 1.660 30 10 IDEE C#CC1CCN(C(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)CC1 1530079881 OQXFTFBHUMCBBB-UHFFFAOYSA-N 445.564 1.972 30 10 IDEE C=CCn1cc(C(=O)NC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)nn1 1530100498 YHARVRGMQHIWGT-CQSZACIVSA-N 432.447 1.678 30 10 IDEE Cn1ncc(I)c1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 1536458481 KYVUKQJDYOVXTC-OAHLLOKOSA-N 432.262 1.903 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1539461999 QDPXKJHGVQZGLX-HSZRJFAPSA-N 438.532 1.099 30 10 IDEE C=C1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)N2CCSCC2)CC1 1539842626 XDJKFPXBJQXJHF-UHFFFAOYSA-N 436.607 1.819 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1540728638 OMPLBXXXUGHBFL-UHFFFAOYSA-N 433.530 1.903 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN2CCCC[C@H]2C1 1540904347 MHZWCDHHFVQBHF-IBGZPJMESA-N 430.578 1.539 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1541105208 GJGDKIRCAMGVSR-RYRKJORJSA-N 433.582 1.787 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1541908482 OGUZSZKZFCPXHD-OLMMMNRUSA-N 440.570 1.355 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)cc1C 1542424233 KGAFCZKOWREPBA-OAQYLSRUSA-N 430.484 1.988 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c([N+](=O)[O-])c1 1543880077 WQAGDZWDXUBHHT-AUSJPIAWSA-N 432.502 1.977 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1554373235 DLMBYXCBXBFJKB-AWEZNQCLSA-N 436.520 1.560 30 10 IDEE N#C[C@]12CN(C(=O)NCc3cccc(COC[C@H]4CCCO4)c3)C[C@H]1CS(=O)(=O)C2 1565107385 BZIBHZXKSWCGOH-QKNQBKEWSA-N 433.530 1.462 30 10 IDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 1565718270 DEDOVCVOIPSISJ-XLIONFOSSA-N 442.541 1.196 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1570238825 FJLZYIQMLZCDOC-HXUWFJFHSA-N 442.582 1.166 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1588049250 CXZVAIFWUMFSSI-INIZCTEOSA-N 445.574 1.313 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1588399307 OJKRIOJJYRIDSY-ABDBUPHLSA-N 448.483 1.777 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCCO)CC1 1588763470 YEGOMDPPGKOJRI-UHFFFAOYSA-N 435.532 1.489 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCc2n[nH]c(C)n2)CC1 1588864246 AXSODCBODBXMRV-UHFFFAOYSA-N 434.548 1.898 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1589664222 VZSNCPYGGZAKHM-GOSISDBHSA-N 443.573 1.917 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccsc2)CC1 1595466568 KXAOMXNJJZZVHK-UHFFFAOYSA-N 443.577 1.200 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=C)Br)C1 1595722528 KSHNPNSDMLMDRS-KBPBESRZSA-N 431.356 1.870 30 10 IDEE N#C[C@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1cccc(Br)c1 1596286515 QGTDEEICHVPIET-LBPRGKRZSA-N 434.275 1.739 30 10 IDEE CC(C)Cc1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1606608028 IXAHZRNMBQHYQA-UAFUQJIBSA-N 427.553 1.678 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](C2CC2)O1 1612916619 CUZFYWULENFBKJ-KDOFPFPSSA-N 430.534 1.370 30 10 IDEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1614847363 CLZPDPYKQCDHRC-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 1628907147 BMWTYIHLXJIIFD-BQYQJAHWSA-N 425.514 1.853 30 10 IDEE COc1nc(N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)ncc1Br 1629296618 UWQDEYSGISHIAY-UHFFFAOYSA-N 433.266 1.491 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)Cn2cc(C#N)c(O)nc2=O)(c2ccccc2)C1 1633013288 ZILAMNOVZXDHFB-UHFFFAOYSA-N 425.445 1.083 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1 1638075911 VTTHLKOIUNWVGB-OAHLLOKOSA-N 435.454 1.573 30 10 IDEE Cc1nsc(N2CCN(C(=O)C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1641802073 RWEAUECJHBNIKA-HXUWFJFHSA-N 435.550 1.734 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@H](Cc3cccc(OC)c3)C2)ccc1F 1641825482 LTMLJVUGNRVTMK-GOSISDBHSA-N 447.532 1.955 30 10 IDEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1645267312 CGTOZPDCJZSEFD-ZWOKBUDYSA-N 435.571 1.243 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnn(C)c1C(F)F 1653287105 INEUKXONHQFZHI-LLVKDONJSA-N 426.449 1.989 30 10 IDEE N#C[C@]12CN(CC(=O)NCCOc3ccc(C(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1655770494 HEEURGVHEFCAQG-WMLDXEAASA-N 431.436 1.071 30 10 IDEE CCOC(=O)N1CCN(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1664772618 AJCLPXFVLZRJLT-UHFFFAOYSA-N 435.550 1.131 30 10 IDEE C#CCN(C)CCCNC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1672100830 PFFFCZREUNZZSQ-INIZCTEOSA-N 449.518 1.724 30 10 IDEE CN(CCOCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C 1683993789 JTEDARRPRIPNAL-UHFFFAOYSA-N 432.525 1.668 30 10 IDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCCC1 1684076311 ROOHATROZOTPFA-UHFFFAOYSA-N 448.545 1.948 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1689989645 HPNMURAAYCBSAU-WJFTUGDTSA-N 434.562 1.390 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690184906 QTHUEDSFJCZLEL-QGZVFWFLSA-N 438.550 1.986 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1690643486 CEVVBZNKTZJSDW-QFBILLFUSA-N 449.577 1.960 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCn2nc(C)nc2C1 1690662004 OAGMBWKVJBQOOT-UHFFFAOYSA-N 438.492 1.185 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1690689478 FBDRGHYNRLOLCE-GHTZIAJQSA-N 443.529 1.148 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690718865 BBSASYJONNOTML-LJQANCHMSA-N 443.573 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](C)C1 1690732290 YQQNXIVWQXFYTF-NCOADZHNSA-N 428.555 1.217 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1691006872 REYYZZSTDDSYDS-CYBMUJFWSA-N 426.493 1.682 30 10 IDEE CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1Cc1ccc(C#N)o1 1694743754 HGAZCOHXVYJDLM-KRWDZBQOSA-N 425.537 1.876 30 10 IDEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CC1 1697068549 DOVSJAULSCHRMT-UHFFFAOYSA-N 437.504 1.621 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1698488659 HAEWTKCMDIKSTM-JXFKEZNVSA-N 444.492 1.605 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 1705478214 XZUBMDVPCSUTCV-SJORKVTESA-N 446.577 1.231 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(CC)CC 1705550280 FHFCUGREAYALJL-UHFFFAOYSA-N 445.593 1.956 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705569405 CKCGHCXWJUHVIO-RCCFBDPRSA-N 438.594 1.545 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1705599243 WSMXQYWGYNYVAR-FQEVSTJZSA-N 431.606 1.765 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCCO)CC1 1705634256 PDXFRLXVJHFCFF-UHFFFAOYSA-N 435.370 1.964 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705937607 YTEUCYCPMHYZEP-ZWKOTPCHSA-N 432.594 1.784 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1706747940 DKXYANOUZOSLNN-WBVHZDCISA-N 430.534 1.832 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CCC1 1712685408 FSLQZPFQWRNJOS-INIZCTEOSA-N 428.518 1.096 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCC[C@@H]1CO 1722282317 CFCMWDYLQLCZHG-QZTJIDSGSA-N 425.537 1.620 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722397854 VRZRRSMWCZPVMT-OALUTQOASA-N 434.548 1.746 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722693645 VSSQIEXHNZEAHZ-GOSISDBHSA-N 440.548 1.999 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1722982010 VIWAPFDGTKNSEU-INIZCTEOSA-N 441.492 1.799 30 10 IDEE CCc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1727590060 LYANVTZWELMCIR-HNENSFHCSA-N 429.525 1.062 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCn2ccnc2C)CCO1 1729678593 FGBLDENNCDMIHA-HXUWFJFHSA-N 448.531 1.753 30 10 IDEE COCCN1C[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1=O 1730779750 YODNTRBNBVSVOV-RBUKOAKNSA-N 430.553 1.797 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCSC1 1740545887 DGWBWAWVRMZBPV-AUUYWEPGSA-N 434.591 1.564 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1740640167 IUWDONARVGATHM-GOSISDBHSA-N 447.536 1.322 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC=CCC2)CC1 1740702072 HSWOVHIHPYROEN-IAGOWNOFSA-N 448.593 1.210 30 10 IDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740793477 SZIRQDGYFWOGEX-UHFFFAOYSA-N 437.541 1.682 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCN(C)C1 1740915839 UUVVVJBOANEYRC-QHCPKHFHSA-N 442.564 1.684 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1740972664 KYCDWARJQCQXDF-MBOZVWFJSA-N 440.566 1.146 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740987400 GARMFWJCHVFPNO-OAHLLOKOSA-N 433.534 1.221 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1741129470 NIZXOOBQWQWDJA-INIZCTEOSA-N 442.549 1.666 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1741129983 IZRBIUFVZVERJK-KMFMINBZSA-N 427.484 1.308 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1741274979 VUHKFFTYTQYKIL-QGZVFWFLSA-N 434.508 1.130 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1743472300 BNODBDQBIKOTKB-DYESRHJHSA-N 428.541 1.531 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 1744691873 AKFUKWOHQVSKDW-LJQANCHMSA-N 437.596 1.460 30 10 IDEE CCNC(=O)c1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1 1746499601 LKTHPBHIAWZKNY-UHFFFAOYSA-N 430.516 1.978 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748820747 IHVBMMVVMHEJSQ-RTBURBONSA-N 446.577 1.193 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748824242 MEONRKWTGSESSY-IEBWSBKVSA-N 448.520 1.952 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCSc2nccs2)CC1 1748990315 GTWYRSXLZXKZIF-OAHLLOKOSA-N 431.591 1.623 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)C(C)C)CC1 1749001435 RBRVTZXTFCDEBZ-UHFFFAOYSA-N 431.585 1.112 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N(CC)CC)CC1 1749010558 SKKOHSMYLSKALM-QUCCMNQESA-N 430.597 1.868 30 10 IDEE C=C(C)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749207265 HGFDTCMKFCABTF-OAQYLSRUSA-N 429.525 1.482 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749241333 JOQFWSBHMOYGKU-JXFKEZNVSA-N 444.536 1.251 30 10 IDEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749294949 IEHFZCJKHSRROT-HNNXBMFYSA-N 432.550 1.617 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1749667242 VRXAGFVYBCMSLP-CQSZACIVSA-N 444.492 1.325 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1749668757 DRJBFXOEBTUTMY-INIZCTEOSA-N 444.561 1.498 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1749738519 OHSZVCMNCVLYHG-IBGZPJMESA-N 445.545 1.401 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC(=O)NCC(F)(F)F)cc1 1750382553 IBFUTBNBJCSSIK-CQSZACIVSA-N 435.410 1.197 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccn(C)n2)c1 1760125648 KCYJPSCEMGMCMC-UHFFFAOYSA-N 429.488 1.517 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCN(C(C)=O)CC1 1760170211 UKUNQPKSPPCPNO-UHFFFAOYSA-N 432.532 1.364 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760200762 BYSFZYXYQXWCAQ-SFHVURJKSA-N 429.532 1.857 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760449743 SVXFEFVCTWDHNC-HXUWFJFHSA-N 440.596 1.933 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760452267 JUXQGSPQTPRIAL-NRFANRHFSA-N 431.562 1.872 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760566276 QBWYQVCVJQBEEX-CHWSQXEVSA-N 440.513 1.867 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)C1 1761541843 CCGBMEJLOGRZLU-QFIPXVFZSA-N 429.569 1.757 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)n1 1762458441 HRANNURMJXBRCW-XLIONFOSSA-N 426.569 1.991 30 10 IDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1762719111 LJAXBZXDBPTMNB-DAYGRLMNSA-N 448.549 1.606 30 10 IDEE CC[C@H]1CCCCN1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1763335914 FADUYHIJQXEDIN-MUGJNUQGSA-N 432.569 1.995 30 10 IDEE CCOCc1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766334499 RCMFXBQRUPSTLG-XDSRXIPYSA-N 430.509 1.348 30 10 IDEE COC[C@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1770783520 ZSXYOHCPTOUNMY-HZPDHXFCSA-N 436.875 1.575 30 10 IDEE COCC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1770841461 CVCQLOJBXBWBHT-HNNXBMFYSA-N 430.534 1.815 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772792206 IHRSEJQJVDGWEH-UHFFFAOYSA-N 431.426 1.020 30 10 IDEE Cn1c(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc(=O)n(C)c1=O 1850671449 UNWWDMZETRZFAS-UHFFFAOYSA-N 436.447 1.498 30 10 IDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1C 1854487314 HXRXDDIFDPZPPP-KRWDZBQOSA-N 433.530 1.908 30 10 IDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1 1855711860 IVPJXFBPODMALS-MAUKXSAKSA-N 436.509 1.199 30 10 IDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)CN2CCC(F)(F)CC2)c2ccccc21 1856904241 AYFIXGFUBFIKGH-UHFFFAOYSA-N 426.445 1.341 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)C(=O)O)C3=O)cc1 1867484427 JMSLGAYMOHRZTQ-UGSOOPFHSA-N 448.435 1.175 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(OC)c(OC)c1 1869932219 XNTGEOSKLULDOG-INIZCTEOSA-N 431.514 1.880 30 10 IDEE CC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)cc1 1870102599 BCRQMZCPXKFKQG-UHFFFAOYSA-N 427.424 1.749 30 10 IDEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4cccc([N+](=O)[O-])c4)cnc32)cc1 1870102845 OIMAJBWBKQXJRL-UHFFFAOYSA-N 430.384 1.455 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874273559 DBFGMVWRQCDGGK-UWPAOYMWSA-N 445.505 1.760 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3nn(C)c4c3CCC4)CC2)CC1 1889281746 ULVBMHPHNIUQSS-UHFFFAOYSA-N 427.593 1.559 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)=C[C@@H]1O 1910967360 OHJHMIKZKNOJMB-OAGGEKHMSA-N 436.509 1.542 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C 2243386733 GWCIUDAQFCZXGR-UHFFFAOYSA-N 440.309 1.804 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 2247546832 SJKYIKYJFPGGHW-XNROWMOSSA-N 437.537 1.780 30 10 IDEE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404145 IQJPNIAAHMLYHH-LLVKDONJSA-N 442.347 1.128 30 10 IDEE Cc1csc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2248406165 WBDDEDFGWYGUOZ-CYBMUJFWSA-N 440.371 1.858 30 10 IDEE CCN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255612109 MECDTCYVLYOUCA-UHFFFAOYSA-N 435.334 1.196 30 10 IDEE Cn1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)nc1B1OC(C)(C)C(C)(C)O1 2255822753 PFDARIQMJSLJBO-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267013760 OVFPKVDZFYHOLX-INIZCTEOSA-N 449.357 1.738 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2267115386 IHOAERMZOMMQFJ-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C(NC(=O)OC(C)(C)C)[C@@H]3C2)n1 2267145550 FAFAXAOAYGDHCS-ZIAGYGMSSA-N 446.357 1.797 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@H]1CCCN1C(=O)OC(C)(C)C 2267263727 JVCPPLMNIHCZRW-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE Cn1ncc(C(=O)NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267512278 FGLXWEBMTPRJPN-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F 2267527259 DSDVYYHHMWOFNJ-NWDGAFQWSA-N 442.247 1.190 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527456 HVOPPUPRCRFDRE-NWDGAFQWSA-N 442.247 1.015 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267541643 GWVOAYAABVXAPX-ZSEKCTLFSA-N 447.345 1.101 30 10 IDEE C[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267590341 NOGFNQUVQRMGOX-JSGCOSHPSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267881101 XNILFOBARJTFDZ-CQSZACIVSA-N 448.329 1.142 30 10 IDEE C[C@H](F)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284411120 GKIJTWJCBOCKMA-OIBJUYFYSA-N 427.712 1.790 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(CC#N)cc1)NC(=O)OCc1ccccc1 2286031609 RFLWKJLLKYYYES-GOSISDBHSA-N 431.470 1.962 30 10 IDEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2315646281 RERTYVPPBUNSQE-QGZVFWFLSA-N 442.394 1.646 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2332922207 XOLUQANKRRPFCY-IXDOHACOSA-N 448.325 1.265 30 10 IDEE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)NCCO)[nH]1 253567430 KAQLYIAKNJYDGX-SRZZPIQSSA-N 443.537 1.011 30 10 IDEE CS(=O)(=O)CC[C@@H]1CCCCN1CC#CCN1CCCC[C@H]1CCS(C)(=O)=O 428869951 DCTPNUVVIMYJLD-PMACEKPBSA-N 432.652 1.568 30 10 IDEE N#CC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 440997742 KZMFEIIHFFLOAC-UHFFFAOYSA-N 448.545 1.804 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 460549142 FEURZUACXMKCRC-CVEARBPZSA-N 434.570 1.360 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C 467830653 CUZNQLDDFDPIPC-FTRWYGJKSA-N 440.525 1.531 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 480322104 XOGYUUXAAWMGMH-CYBMUJFWSA-N 435.485 1.275 30 10 IDEE C=C(C)Cn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccncc1 481360856 QPZRGGOWTRWWPE-UHFFFAOYSA-N 430.534 1.326 30 10 IDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(C(F)(F)F)n1 487572737 OPWJCHYUFPCSTF-UHFFFAOYSA-N 439.419 1.822 30 10 IDEE C=CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 522387219 CSGWXRJXUOIKKK-UHFFFAOYSA-N 440.521 1.994 30 10 IDEE CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCC3)c2=O)cc1 559337483 OTURXBWIMGCCQZ-UHFFFAOYSA-N 442.562 1.911 30 10 IDEE O=c1ccc(-n2cncn2)nn1C1CCC(/N=C2/NS(=O)(=O)c3ccccc32)CC1 585622666 JPCOUGLFJHSBAD-UHFFFAOYSA-N 425.474 1.046 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(F)c1 586860884 SOXQQPAPXKXAGT-QGZVFWFLSA-N 427.411 1.875 30 10 IDEE CC#CC[C@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br 717763473 XHUSNQJFPBPPFL-SECBINFHSA-N 426.130 1.846 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727815083 WDNLZRKBKSOAPL-UHFFFAOYSA-N 425.535 1.932 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)cc1 732790367 SDXCLRGIPLGXEZ-IBGZPJMESA-N 429.473 1.615 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 734972999 VNXJHGJPKHDRNB-GOSISDBHSA-N 436.511 1.870 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C#N)c1=O 743726275 LDXZZLYVNWUNPK-UHFFFAOYSA-N 435.534 1.563 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnc(O)n(C)c2=O)c1 751565834 IRHUSNXWSWJWNV-CJLVFECKSA-N 433.490 1.331 30 10 IDEE C#CCN(C(=O)NCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCS(=O)(=O)C1 760144204 NMWQDOXXKGSGML-OAHLLOKOSA-N 439.335 1.737 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C[C@@H]1CCCO1 782919403 ODFYZNBGPVXOPU-SFHVURJKSA-N 446.532 1.442 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 784128236 NHFDLHGXBMFVQO-QGZVFWFLSA-N 436.965 1.989 30 10 IDEE Cc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1C(=O)N1CCOCC1 786122023 YBVGVYIHUBSDAB-HNENSFHCSA-N 427.461 1.115 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 789243933 ISVMBAIIZZLUDL-OAQYLSRUSA-N 434.500 1.347 30 10 IDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C(=O)NCc1ccc(C#N)cc1F 804162951 XRECDABLNMRIAC-UHFFFAOYSA-N 447.511 1.325 30 10 IDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(Cl)cc1 810473193 GRWWREIMNFJMLL-SFHVURJKSA-N 449.916 1.694 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C1CC1 839378274 ZVKREAVFUCLNGM-UHFFFAOYSA-N 434.521 1.990 30 10 IDEE CC(CC(C)C)=NNc1nc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n[nH]1 1084227979 RCCUIIYMGNKFML-UHFFFAOYSA-N 438.602 1.400 30 10 IDEE CN(C[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1)S(C)(=O)=O 1128799316 SJEQUXGMVMVWMT-CYBMUJFWSA-N 428.352 1.993 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC(c2nccn2C)c2nccn2C)ccc1F 1131383889 DNORFINMMJPUFI-UHFFFAOYSA-N 432.481 1.276 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccn(CCN4CCNC4=O)n3)CC2=O)cc1Cl 1134186808 DRAIZBGUDNXNDM-AWEZNQCLSA-N 441.879 1.425 30 10 IDEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)C1CCOCC1 1148194128 ILDVXSICAVQDAX-ZWKOTPCHSA-N 440.949 1.418 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)CC1 1152967503 JLPWDTVUIVTKCM-KRWDZBQOSA-N 442.541 1.456 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C1 1159377949 DIVJLPXFOVKBKI-UHFFFAOYSA-N 427.505 1.052 30 10 IDEE C=C(C)C[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1176173001 MTLJJDDSAJUDAF-JKSUJKDBSA-N 425.526 1.906 30 10 IDEE N#Cc1cn(C2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)C2)c(=O)nc1O 1180989110 JAPLXPVTTINEQH-UHFFFAOYSA-N 429.230 1.442 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)CC1 1225319617 RMLYLCBINYJDQJ-CYBMUJFWSA-N 433.361 1.719 30 10 IDEE Cn1c(S)nnc1[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1227632811 QHUXEMCMCQKXHO-DLBZAZTESA-N 439.545 1.666 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1229422694 AQJWBMDXSPWYPO-BXTJHSDWSA-N 438.550 1.356 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389507 LEEVTBBXMLOEOW-LJQANCHMSA-N 445.593 1.180 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286438314 UONWGMLHUJNKAF-HNNXBMFYSA-N 436.559 1.243 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286439301 NYUIFGZOOCDGJC-IBGZPJMESA-N 444.543 1.810 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCn2cc(CO)nn2)CC1 1286473634 VMOAVGIDGULFBH-QFIPXVFZSA-N 448.575 1.749 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCOC2=O)CC1 1286482177 NBYJZRLXKOEXGR-UHFFFAOYSA-N 426.496 1.606 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](F)COC)CC1 1286489492 VCHLMAZQMYYWAQ-MRXNPFEDSA-N 434.903 1.944 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1286509546 SUWMRRGBXQPPJR-WBVHZDCISA-N 434.591 1.622 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286515304 XKHJUORZJJHQAT-WDSOQIARSA-N 446.577 1.680 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286606197 JCTXSVGDCQHVBW-MSOLQXFVSA-N 430.553 1.565 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)(F)F 1286719299 ZWDWIWQCSRYWAW-UHFFFAOYSA-N 431.440 1.649 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286822719 NZQNQNBNMXIEJJ-IYBDPMFKSA-N 426.564 1.381 30 10 IDEE CC(C)CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1287853686 WJERPFAACDOCRW-CVEARBPZSA-N 427.596 1.688 30 10 IDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C(C)C 1289143256 XFENEDTZOZJYFK-UHFFFAOYSA-N 433.574 1.787 30 10 IDEE CCC[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1293931211 CPTIBVZBPHUCEX-FZFLATATSA-N 429.525 1.552 30 10 IDEE N#Cc1cc(NC(=O)Cc2csc(N3CCOCC3)n2)ccc1N1CCC(O)CC1 1294975648 AZRURDXQXNFDFB-UHFFFAOYSA-N 427.530 1.994 30 10 IDEE CO[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C 1299676721 HVHRONOYMPQPDW-MSOLQXFVSA-N 438.536 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1300272430 MIVFVIDYCDUFTP-DLBZAZTESA-N 441.561 1.775 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1ncccc1F 1300287149 UZDHDHCKADCDRU-OAHLLOKOSA-N 433.451 1.992 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2ccnc2)c1 1300506390 RYGVHVAZSUNRIJ-UHFFFAOYSA-N 427.512 1.880 30 10 IDEE C#CCSCCn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1300777807 DEUOIDMDUKUGAT-IYBDPMFKSA-N 448.593 1.742 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H](C)CC(N)=O 1301483283 NFJGVLJIQJVSMB-GFCCVEGCSA-N 435.326 1.710 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 1301502759 OWYCOARJFDARKK-IBGZPJMESA-N 440.504 1.151 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1301525000 FKARUFGAOMRBQQ-PKOBYXMFSA-N 427.505 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301592869 FPYAIZTVYIQBOJ-QGZVFWFLSA-N 441.598 1.105 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1303010046 RAWBCVXXNISADK-QZTJIDSGSA-N 431.518 1.473 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCCS(C)(=O)=O 1306195788 IVVDKIABAOXDQP-UHFFFAOYSA-N 431.566 1.649 30 10 IDEE CN(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1314670900 FFLSTLFGERVNCX-UHFFFAOYSA-N 431.566 1.588 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C/c2ccc(S(C)(=O)=O)o2)c1 1355983636 FXBRSIFOSDSLAA-VQHVLOKHSA-N 442.493 1.570 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)c1ccccc1 1358948733 JWOXDFNKTQAZRD-HKUYNNGSSA-N 446.577 1.205 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1358958614 RTEHMLCWRFLDSJ-INIZCTEOSA-N 447.517 1.316 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1358963701 MQKHESUGLDWGMM-QZTJIDSGSA-N 436.578 1.494 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1359023715 TZAIHHUTUSGTRW-UHFFFAOYSA-N 446.515 1.727 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)NC(C)C)CC1 1359033559 GUTOSOWAZLLJNL-UHFFFAOYSA-N 434.541 1.167 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359221494 DADZEGAAQAZYCO-MRXNPFEDSA-N 425.493 1.329 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359295593 HPKCATHSYJPQHO-FQEVSTJZSA-N 435.532 1.912 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)c3c2CCC3)CC1 1443358305 NMZOHRRQKHIRGN-UHFFFAOYSA-N 441.482 1.537 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1444065581 KHLMAONUEIKKDO-AWEZNQCLSA-N 441.916 1.716 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1461603737 QSAVQJRJMJHLJH-GFCCVEGCSA-N 442.277 1.532 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(OCC(=O)N(C)C)c(Cl)c2)C1 1464493504 DPXXHTYMKUTPMH-ZDUSSCGKSA-N 448.372 1.836 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 1466690676 RVLIPPJUUNODCY-CHWSQXEVSA-N 427.889 1.874 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2OCc2ccccc2)CC1 1467841877 AAIYUINRNFKBFH-UHFFFAOYSA-N 442.541 1.560 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(CN3CCNC3=O)cc2)c1 1475587118 MARHUUIUJGUAHL-UHFFFAOYSA-N 428.514 1.606 30 10 IDEE CCOC(=O)CS[C@@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 1479165442 JTFVUGGDDJXXKG-JKJHPVACSA-N 438.428 1.039 30 10 IDEE CCOC(=O)N1CCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1502491621 ATTIRFROOCWYPD-DXQAYGFFSA-N 445.524 1.597 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CCO1 1503783055 OGIZBBSKAZUSEQ-PKOBYXMFSA-N 440.504 1.107 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1nnc2n1CCCCC2 1503799364 CLTZHHXXDCVNQU-UHFFFAOYSA-N 447.547 1.950 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1504888128 ISNSPDNXPZPDAK-QGZVFWFLSA-N 425.555 1.363 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccn(CC)c1=O 1507524655 VYWXKLFZMYWOKT-MRXNPFEDSA-N 429.488 1.609 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)CC1 1507723880 XRSCXJDUIPPLQD-INIZCTEOSA-N 448.449 1.931 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1507757134 PEXKHUDPOISGJS-GOSISDBHSA-N 443.573 1.753 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1507836875 CAWBLOLQXAXYCY-IRXDYDNUSA-N 426.587 1.156 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1509712159 FWOLRIZIASXMOX-MOPGFXCFSA-N 435.532 1.979 30 10 IDEE CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516849758 DIQIJXDCOKFQCP-MOPGFXCFSA-N 428.562 1.913 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1518966083 VAYFYDQKZWWBOR-FGZHOGPDSA-N 440.504 1.635 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCN2CC=CCC2)cc1 1521102266 SAXUHSNEAQCJCL-UHFFFAOYSA-N 435.532 1.692 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)CC1 1521309317 HGBUOYVPSCZXID-UHFFFAOYSA-N 445.520 1.993 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1525427445 OVADYLFLJQGIQY-UHFFFAOYSA-N 430.549 1.639 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(=O)(=O)CC 1539003607 DIPKEXZHJFFIDW-AWEZNQCLSA-N 443.533 1.381 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(C)(=O)=O 1539016610 ZEWWCVDSKCMFMB-OAHLLOKOSA-N 439.582 1.895 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539206982 YNAZLGYLFMJBMZ-NVXWUHKLSA-N 448.545 1.624 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1539226525 ZUOZQRCWAUKQKZ-IBGZPJMESA-N 443.573 1.586 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539341044 XJQXMAKTGCRIJT-ROUUACIJSA-N 442.543 1.320 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1539491007 KDAATKFMVGZRKC-INIZCTEOSA-N 447.565 1.832 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCC(C)CC1 1540070957 BQHZPRFOXDHGSD-GOSISDBHSA-N 440.614 1.355 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1540871511 NFOPGWLTCKMVIX-INIZCTEOSA-N 437.552 1.546 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1541729002 RJNXPUUWQOQWTL-FCHUYYIVSA-N 446.552 1.308 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCC3)C2)n1Cc1ccc(C#N)o1 1541949375 NQPINRDBZYDOFS-CQSZACIVSA-N 434.522 1.551 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542756295 ADXQRUTUJYINJD-SIUCFOQUSA-N 436.516 1.929 30 10 IDEE CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 1548375649 UDOGRUKDOZJIAJ-INIZCTEOSA-N 444.479 1.801 30 10 IDEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)n1 1554350995 BUGMFAGIWIEGIU-UHFFFAOYSA-N 432.410 1.887 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1554371037 FIQKYDKPPCNPKZ-ZWKOTPCHSA-N 435.532 1.836 30 10 IDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1555771038 ZCBUNEDYWNDYMF-INIZCTEOSA-N 440.426 1.989 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555793913 CWUFYCGAKUZLML-KIJUOZEOSA-N 448.549 1.085 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1557503944 OYIYOEKYJLUXHE-ZIAGYGMSSA-N 435.916 1.855 30 10 IDEE Cc1cc(Cl)ccc1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1559449058 YVDAUMIQYSKFBT-UHFFFAOYSA-N 432.864 1.824 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2C2CC2)CC1 1559845898 BJJHFSGXIDWLSR-PMACEKPBSA-N 434.537 1.044 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(OC)cccc1OC(F)(F)F 1561155258 YLLQSOBVNDBKGN-NSHDSACASA-N 429.438 1.958 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)C1=O 1561513560 KLZIHWJRLBTRET-SFHVURJKSA-N 433.534 1.499 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)c(Br)c(C)n2)CC1 1562648016 ADVXUDPCEUMYGG-UHFFFAOYSA-N 430.328 1.078 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588050230 POXLPGLTMPMXQJ-WMZOPIPTSA-N 433.582 1.036 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSc2ccccc21 1588084731 VWQZXRSVVGCIOW-CVEARBPZSA-N 429.571 1.851 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1588864492 DXDJOFAZCHYDMS-UHFFFAOYSA-N 444.543 1.850 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589514201 DUDJOKCELWVCOF-JZXOWHBKSA-N 436.582 1.919 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1594812729 JGJFNSNPYGYIMN-WMZOPIPTSA-N 431.541 1.949 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncn(C)n2)C1 1595680070 FTGZMADMZXQQSV-ZDUSSCGKSA-N 433.314 1.994 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)C1 1595730038 SIYRDTGEEICUSQ-ZWKOTPCHSA-N 441.598 1.829 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1596830864 FZFAGQYSWHSICA-DOTOQJQBSA-N 436.582 1.787 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1618857030 DYLSTBKAMHVLLP-MJWGMMHASA-N 430.509 1.392 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1620357983 XANHPHQNJOXYKD-HUUCEWRRSA-N 429.493 1.734 30 10 IDEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCC1 1620423235 AQVKIZWUVWUZBA-UHFFFAOYSA-N 449.573 1.769 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1620656775 XVYNYHYCACLVQU-SIRSKZSMSA-N 440.566 1.313 30 10 IDEE N#Cc1cn(CC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(=O)nc1O 1624657200 GTEAHLVLRDUJAU-UHFFFAOYSA-N 435.406 1.574 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 1627266081 YBSSPPYIFXOMJC-UDEQFELHSA-N 435.278 1.564 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c1 1630819284 ADNHBXZMMWQFEA-SFHVURJKSA-N 443.447 1.787 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(CC(=O)OCC)cs2)ccc1F 1637966820 OPNVWHMGGKUAFO-UHFFFAOYSA-N 441.506 1.782 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCN1CC(F)F 1640549255 ASFDXJAESBRPNN-HOCLYGCPSA-N 442.532 1.986 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 1644151710 JCLWYXUZZQZLRD-WUKNDPDISA-N 442.438 1.839 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H]3CCC[C@H]3C#N)CC2)c1 1654477389 DHAZRQZWDFWHKG-ICSRJNTNSA-N 432.546 1.346 30 10 IDEE C=CCC1(O)CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)CC1 1655634464 SEHRNPBCUZJZKW-UHFFFAOYSA-N 448.589 1.980 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3C[C@H](S(=O)(=O)c4ccccc4)C3)CC2)nc1 1684697801 GHHNLNJTENIOCP-UAPYVXQJSA-N 425.514 1.790 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1689858196 JDJBFXNHSRGPFP-INIZCTEOSA-N 429.546 1.869 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(OCCN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1689979578 DDVRDIWEGZZJDC-IBGZPJMESA-N 431.562 1.202 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1689989244 CINMZJWDUNEPDN-RTBURBONSA-N 446.577 1.165 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1690003553 QIWYCQXUTIEBGN-AUSIDOKSSA-N 438.532 1.404 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1690019480 JXRBNMKFWVBXEA-IBGZPJMESA-N 445.520 1.066 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1690119970 ZXTNYXQARNOBTH-JOCHJYFZSA-N 449.603 1.643 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690470494 CQXZZWXKTYVLCU-UHFFFAOYSA-N 440.552 1.538 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1690663392 VDWKCANAYPHDPL-QGZVFWFLSA-N 428.537 1.413 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1690993303 HZUMHRVLXXSMDF-JFIYKMOQSA-N 439.630 1.995 30 10 IDEE C[C@@H]1COCCN1CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1693860580 SCDDXBAXWUOACL-GOSISDBHSA-N 438.580 1.890 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCOCC2CC2)cc1 1698488264 FPRDWAOHRSBBHU-UHFFFAOYSA-N 445.545 1.780 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705571475 ZVCJIBCIKJYTPH-LJQANCHMSA-N 428.558 1.605 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1705647216 AOXIWZUCGFWKTB-QUCCMNQESA-N 428.581 1.480 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC(C)C)CC1 1705647999 OUJGUPIEZLXRSZ-SFHVURJKSA-N 430.553 1.258 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705661032 OYSAJXLUDSVOSU-IBGZPJMESA-N 431.537 1.716 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@H](C)C1 1705695797 ZMAKLCHEPRVIQE-QYZOEREBSA-N 434.585 1.554 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCn1cccn1 1705697593 MSCJZOCMQNPZFN-BBWFWOEESA-N 437.570 1.202 30 10 IDEE C=CCn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705893312 BVOXGSWUEFOLFO-XLIONFOSSA-N 439.582 1.509 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1711086227 FRRNJFBBTPSZEI-GOSISDBHSA-N 445.545 1.577 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1722281357 YGDIHVWJASPJPK-CABCVRRESA-N 433.534 1.556 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1722303533 OVYMOPRCSXAZNF-MSVBSMQLSA-N 438.463 1.981 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1722309298 WTZQBKXABCAQDF-CABCVRRESA-N 438.579 1.726 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722334367 FPHOWZQXTASBBI-IBGZPJMESA-N 428.562 1.682 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)c1cc[nH]n1 1730942117 MWSMQZDBVZYAQL-RDJZCZTQSA-N 442.524 1.285 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(NC(N)=O)cc2)C1 1731177943 ABBMRBSMHUMKBP-HXUWFJFHSA-N 426.456 1.495 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N1CCSCC1 1740546777 XQAQFOUAPUGXAN-INIZCTEOSA-N 449.602 1.790 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740588796 GUGXOIQAFSTPDT-LJQANCHMSA-N 438.507 1.673 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)CC1 1740696334 RHICFZAEGVDNFQ-HZPDHXFCSA-N 427.521 1.371 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCN(CC)CC 1740731648 FEAWKLPUKYQAGF-WIYYLYMNSA-N 437.610 1.531 30 10 IDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740878089 QMPUYAJQAVTEBR-UHFFFAOYSA-N 439.564 1.211 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC)C1CC1 1740908055 IYDSPBUPCROCFX-UHFFFAOYSA-N 438.575 1.938 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)NC[C@@H]3C2)cc1 1740965215 FMAVWUSFHMDPPF-QGZVFWFLSA-N 439.520 1.243 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F 1741113012 GKMKQNMVPOBIJD-UHFFFAOYSA-N 443.462 1.836 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1741802999 NHDFTAXAELKLNC-CVEARBPZSA-N 425.555 1.504 30 10 IDEE Cc1c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)cnn1C 1742057250 CNNPOTDNCPLHTL-LBPRGKRZSA-N 432.510 1.080 30 10 IDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1747339395 VNMRVIAMAPRRCA-QGZVFWFLSA-N 432.550 1.571 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1748752406 WKQZMCJZJAYOBA-KRWDZBQOSA-N 427.509 1.253 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1748888433 WKNGFWOMXRIUQF-SFHVURJKSA-N 437.500 1.120 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(F)c1 1748951468 VUAFZPRSFFRNTG-ZDUSSCGKSA-N 427.477 1.301 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cnn(CCOC)c2)CC1 1748994397 ZXCKROBRTNMQTB-UHFFFAOYSA-N 425.562 1.577 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCCCC2=O)CC1 1749014692 LYEMRZJCZSSWNA-UHFFFAOYSA-N 428.581 1.845 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749311058 BHZGVIBPYHMLBD-FQEVSTJZSA-N 436.509 1.702 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)OC 1749326513 BCMQPDBRVHOSOO-MOPGFXCFSA-N 439.520 1.518 30 10 IDEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749413456 VTBOTFZGGIOYEU-KRWDZBQOSA-N 446.939 1.779 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749732209 SLIYHSZMBGICAP-QGZVFWFLSA-N 437.610 1.836 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2COCCO2)C1 1751272966 AYPMTNZFIHEDDY-DYESRHJHSA-N 445.545 1.894 30 10 IDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1760169825 DOFOQBHYXAUMFY-RYQLBKOJSA-N 441.536 1.772 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760185178 RFQQZWBUOSURGA-INIZCTEOSA-N 428.493 1.493 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760205899 MHUOQWOYTOAAPM-NNMXDRDESA-N 431.606 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1760222628 SEFZRSLQCJJIRA-CALCHBBNSA-N 449.577 1.556 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1760317836 BBYCHPNJJJPNOU-PXNSSMCTSA-N 426.521 1.616 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1760502257 SWFVZBRZBQMOAZ-UHFFFAOYSA-N 437.548 1.620 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1760552861 DCTHRZADYGHYJE-NRFANRHFSA-N 448.545 1.550 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1=O 1761121180 LVOBIDVHTDHLQT-UHFFFAOYSA-N 426.521 1.520 30 10 IDEE COc1cccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1768773480 BHOPJISFLNLSBT-XOMICKMZSA-N 438.488 1.705 30 10 IDEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1769729002 VURUZTFRWRWLJQ-QGZVFWFLSA-N 427.484 1.603 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1771532415 ZQSQGDZYZYPIJV-VQTJNVASSA-N 437.548 1.365 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(c4ccc5nnc(C6CC6)n5n4)CC3)cnc21 1852719923 HTHQGCVIIVQTNU-UHFFFAOYSA-N 427.472 1.722 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C)C1=O 1852959783 ILQYQDSERXEBMV-IAGOWNOFSA-N 425.938 1.738 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)Nc3ccccc3C#N)C2)cc1 1858375861 FYTSNKRXHQPBFM-QGZVFWFLSA-N 426.498 1.909 30 10 IDEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CNC(=O)CCC(=O)O)cc1 1858674612 HLQDKTXBEQSNFI-UHFFFAOYSA-N 430.442 1.550 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1 1869930360 YKDQPYFZABTZED-IBGZPJMESA-N 426.542 1.848 30 10 IDEE C=CCN(CC=C)c1nc(=NC(=O)c2cccc(Cl)n2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870004763 KJIQBXCNKHESKF-CYBMUJFWSA-N 436.925 1.539 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870537678 LDLSOKOPUXDQGD-UHFFFAOYSA-N 443.500 1.661 30 10 IDEE C=CCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N2CCN(C(=O)OCC)CC2)n1 1871693357 AOKDCSDNILRDJE-UHFFFAOYSA-N 426.525 1.980 30 10 IDEE CC1(C)OB(c2cc(I)cc(CN3CCNCC3)c2)OC1(C)C 1887515547 JMFGQBKCTHIEIF-UHFFFAOYSA-N 428.123 1.996 30 10 IDEE C#CCOC1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)OC)cc2)C1 1892176186 JKDARCIJNJPFRH-GOSISDBHSA-N 435.502 1.269 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 1985006342 BWERORUJQGRJQC-JYJNAYRXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 2020787858 ZUDQBPBIHNOMJE-YCRPNKLZSA-N 438.525 1.720 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(=NC(=O)NCCS(=O)(=O)NC2CCCCC2)[nH]1 2079493822 OOEZCRIMJWMURS-UHFFFAOYSA-N 434.497 1.679 30 10 IDEE CC1(C)OB(C#CC(=O)N2CCO[C@]3(CCCN(C(=O)C(F)(F)F)C3)C2)OC1(C)C 2255602598 UWWOIFRZLPDVSG-GOSISDBHSA-N 430.232 1.404 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2CC[C@H]21 2255658285 BACWEIIHODKYQB-HUUCEWRRSA-N 432.330 1.933 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2255694081 LMBFSLZHTIVNBL-CHWSQXEVSA-N 435.334 1.242 30 10 IDEE CC[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255750992 SMNULLABOCBELS-KRWDZBQOSA-N 449.382 1.681 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)n1 2255823484 WACQCIWJLGHLHX-CQSZACIVSA-N 435.330 1.305 30 10 IDEE Cn1ncc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255824583 KFBNESGRNMBZGJ-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255862826 JRICPQFNVFBVAW-UHFFFAOYSA-N 437.346 1.975 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c(F)c2)OC1(C)C 2267189147 WHVWODYRFRFKAA-UHFFFAOYSA-N 441.312 1.497 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@@H]2NC(=O)OC(C)(C)C 2267489670 LXGHFAJEFLSKCL-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267536889 FQWXMNJSDMUUIP-IEBWSBKVSA-N 441.337 1.823 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](O)C1 2268664428 VHUIEGLPHRLOGT-GOEBONIOSA-N 447.341 1.937 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N(C)CC(=O)NC3CC3)nnc12 21396592 DBJVEQPIECJVPD-CYBMUJFWSA-N 440.529 1.448 30 10 IDEE C=CCOC(=O)N1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 169907201 JHWPWDIPDGOKCA-UHFFFAOYSA-N 436.262 1.512 30 10 IDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(-c2ccccc2)cc1 248226157 JFWMFOFGSRCNIP-PDFGSZSQSA-N 446.459 1.921 30 10 IDEE CC(C)c1ccc(N2C(=NC(=O)COCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254520762 AMSOHEQSMXODTP-CABCVRRESA-N 426.516 1.513 30 10 IDEE N#Cc1nc(-n2cnc(I)c2I)ccc1N 304396570 MBMIYONUWGLJMR-UHFFFAOYSA-N 436.982 1.930 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCO1 409595378 MFXRJNBHJMMJBX-QGZVFWFLSA-N 432.468 1.729 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CCC3)c2=O)c1 430993917 QLZRZRKIVWRGBY-OAHLLOKOSA-N 439.537 1.846 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CC(=O)N(Cc4ccccc4)[C@H]3C)CC2)c1C#N 466840788 JQQOSAKGHCKZAC-FXAWDEMLSA-N 435.532 1.621 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nnc3ccccn23)CC1 479967837 UTDNQSRNZSHQCQ-HNNXBMFYSA-N 438.513 1.674 30 10 IDEE CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1 480370597 GTROTKACJKUSBP-UHFFFAOYSA-N 436.515 1.420 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)cc1C#N 489575260 XHOUEPWXBXKYKX-UHFFFAOYSA-N 432.527 1.798 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)cc1C#N 489681836 PRLFBVWNVABXFB-MRXNPFEDSA-N 435.303 1.886 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 504907839 IEPYIVMFXRSXDR-MOPGFXCFSA-N 431.452 1.685 30 10 IDEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1cnc(N(C)C)nc1 506012447 KOCZBUXVBCLBFP-HXUWFJFHSA-N 425.512 1.523 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1OC 509013399 UCKOTBONVQMEDH-GOSISDBHSA-N 435.550 1.485 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(=O)c4ccccc43)CC2)cc1 516332313 PNOMQXMCCMWJMQ-UHFFFAOYSA-N 436.493 1.406 30 10 IDEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549780150 YIKIGGDSMGJSQK-SFHVURJKSA-N 427.509 1.386 30 10 IDEE C=CCOc1ccc(NCC(=O)Nc2nc(CC(=O)OCC)cs2)cc1-n1cnnn1 586269899 YOUIITCXNRATFS-UHFFFAOYSA-N 443.489 1.840 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 588152388 QWYFOMQQQDKCOY-INIZCTEOSA-N 443.544 1.499 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@@H]1CCCO1 609431456 YBCQRTPSMGABEL-KRWDZBQOSA-N 448.548 1.666 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)ccc2c1=O 726376207 FGADQDAHWJSFHQ-GOSISDBHSA-N 443.573 1.544 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730142383 RCWDPJWGEHOQON-LJQANCHMSA-N 447.605 1.829 30 10 IDEE Cc1cc(CN2C(=O)[C@H](CC(=O)NCCN(C)C)S/C2=N/CCc2ccccn2)no1 730144287 JFTBGRIJFVQGQR-QAYQYMSWSA-N 444.561 1.489 30 10 IDEE Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732663782 GKNUBUNFONHIPF-QGZVFWFLSA-N 428.514 1.879 30 10 IDEE N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCN1C1CC1 732665237 WPINZYNVODETJV-OAHLLOKOSA-N 441.351 1.316 30 10 IDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)c1 733679935 INCOCENVLCMFBT-FQEVSTJZSA-N 434.477 1.799 30 10 IDEE COC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc2c1CCCCC2 746039254 UYFSNARASXFAIL-CQSZACIVSA-N 430.530 1.941 30 10 IDEE CN1C(=O)C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(Cl)c(F)c1 755061008 VUGGPVPEEUXMBH-IMIXSNCBSA-N 449.870 1.577 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccon1 763459153 WEXANXQHGWJXGC-UHFFFAOYSA-N 446.488 1.679 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(CN2CCc3ccccc32)CC1)c1cc[nH]n1 772266930 KYXZYJKIWOSEIR-UHFFFAOYSA-N 439.516 1.995 30 10 IDEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)cc(Br)c2)c1=O 772275349 KDQWIWAHGLHMMC-UHFFFAOYSA-N 432.343 1.782 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@H]1CCCO1 782589125 OUYSSYUFYJSJCJ-LJQANCHMSA-N 446.532 1.442 30 10 IDEE Cc1nn(-c2ccncc2)cc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 783811083 FEZBKNZQYYPACY-UHFFFAOYSA-N 440.533 1.353 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)n1 788815153 VBTRYFAGIOQWPS-UHFFFAOYSA-N 434.518 1.064 30 10 IDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)OCC(F)(F)F 788905749 VKQXCAXGDXANKA-GOSISDBHSA-N 426.347 1.800 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccs2)CCN1C1CC1 802700746 BDKVYSWMSOFNCC-GOEBONIOSA-N 432.575 1.467 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2=CCCOC2)cn1 807941729 UHFYASHMIXAPCJ-QGZVFWFLSA-N 447.561 1.436 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)ccc1F 820175288 WVKKJNMPCXZIHR-SFHVURJKSA-N 436.509 1.657 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCn2cc(C(=O)NCC3CC3)nn2)cc1 826779329 XUQUINDBIWQFQL-SFHVURJKSA-N 442.545 1.923 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCC1 1133490540 DRBUZHTZUKNCSL-INIZCTEOSA-N 432.546 1.668 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CC2)cc1 1135331866 BTNOQVRXMFVCFU-UHFFFAOYSA-N 427.526 1.211 30 10 IDEE Cn1nc(I)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1135508788 ADYZWWBAEYYZHI-UHFFFAOYSA-N 435.269 1.854 30 10 IDEE C#CC[C@@H](NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC 1141997855 CIBKEURFOWTCFX-NHCUHLMSSA-N 436.464 1.567 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1167023752 FESRMEIJEBUKDO-GOSISDBHSA-N 444.410 1.700 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 1171268981 ALUAESNLTNFZRA-KKOXVAKLSA-N 437.587 1.796 30 10 IDEE COCCN(CCC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1180239721 WPADNBBXJLVHBH-UHFFFAOYSA-N 428.482 1.943 30 10 IDEE C#CCNC(=O)C1CCN(Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CC1 1205509118 DENTYSHLZWVZHB-AWEZNQCLSA-N 436.350 1.924 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1228700922 BLCPHFYDYPUEBY-OAGGEKHMSA-N 431.555 1.443 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(N)=O)C1 1286321526 RCZDGJZXSYEWBU-OAHLLOKOSA-N 429.550 1.353 30 10 IDEE C#CCN(c1nnc(C)n1CCOc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1286384528 RGNWLCPQQJWZIW-CQSZACIVSA-N 443.451 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCOCC1 1286410091 WHHZLCFUMQJJDY-UHFFFAOYSA-N 427.512 1.688 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@H]1CC 1286613313 XFJFPEKVXITCDU-OAHLLOKOSA-N 432.550 1.577 30 10 IDEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1286673695 FARREVKNIPSBSP-UHFFFAOYSA-N 444.580 1.340 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1COCCO1 1286741381 LNZXCLOASRTYIZ-HXUWFJFHSA-N 436.516 1.880 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1286787035 BCCUYLXCCCHGSN-DLBZAZTESA-N 445.593 1.814 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286792211 QVQIKFXBAGOOCA-QGZVFWFLSA-N 444.511 1.793 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCS(=O)(=O)CC1 1286816444 LEHAORLZUKWMTI-UHFFFAOYSA-N 438.575 1.343 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCO[C@](C)(C#N)C2)CC1 1289339617 VCUCMVPFTGDBHW-LJQANCHMSA-N 436.490 1.445 30 10 IDEE CN(CCn1cccn1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1298725158 OPNBBQWUAKVMIU-VHEBQXMUSA-N 426.525 1.726 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@H](C)C1 1300267741 JHMGKZPSQSSNMK-ZWKOTPCHSA-N 425.537 1.884 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300491899 JMFKXUVTSGAYAK-XYJFISCASA-N 444.561 1.565 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1300671353 IAGCSPNWBQYYSB-GOSISDBHSA-N 431.562 1.381 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=C)Br)CC1 1300684892 CCBRUULSPDRNOI-LJQANCHMSA-N 438.370 1.983 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1301194581 MDSZXNAYVFPYRW-FQEVSTJZSA-N 429.613 1.973 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1301207012 NPAKCHJUSMAZCX-KRWDZBQOSA-N 446.577 1.863 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)C1 1301555019 RCESFDNYRNAOAF-MSOLQXFVSA-N 430.553 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301575975 OAHDHURFOCJKDR-ROUUACIJSA-N 440.529 1.132 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301587231 SLJBXCBZWPUATD-QGZVFWFLSA-N 447.561 1.167 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2ccc(OC)cc2C1 1301589660 VZVJPKJVMWZPJO-QGZVFWFLSA-N 432.546 1.954 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301713965 PGUJPOVEGDOUCQ-RBUKOAKNSA-N 440.504 1.899 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)OC(C)(C)C 1301799473 FKKCEZWLVGYHOV-UHFFFAOYSA-N 435.529 1.405 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1301952749 NLLQCDYMIHRHBB-JKSUJKDBSA-N 445.593 1.915 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1314543625 HRERTQIJKKOPSP-IBGZPJMESA-N 435.529 1.377 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ncccc2S(C)(=O)=O)c1 1357485194 ZEBPASDQJAMIKL-PGMHBOJBSA-N 436.515 1.550 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC2)c1 1358901712 UPLZXAIDPCGVBI-CQSZACIVSA-N 430.534 1.355 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1358927906 NDLXTIRJNUKSFO-AWEZNQCLSA-N 428.522 1.349 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(OCC)CCCC2)CC1 1359045005 TZWDWZGPEIRODM-SFHVURJKSA-N 442.564 1.544 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1359089431 IWKJSFXTGVCNAJ-ZWKOTPCHSA-N 445.568 1.347 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359110909 HIQVFJGNJRPDQM-UHFFFAOYSA-N 436.520 1.344 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359137129 GGRXALNVEVMMQM-XMSQKQJNSA-N 435.569 1.968 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OC)C(F)(F)F 1359239979 CIGKCCNAOZHEPP-CHWSQXEVSA-N 441.476 1.201 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359296276 DBMYYTYFUYNGAI-UHFFFAOYSA-N 448.531 1.763 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)CN1CCN(S(C)(=O)=O)CC1 1451182472 QNFAPDXHCHMIAV-UHFFFAOYSA-N 432.340 1.530 30 10 IDEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@H]1CCCN(O)C1=O 1468451617 BLQGUFXQAUGCAE-JKSUJKDBSA-N 437.294 1.474 30 10 IDEE C#CCSCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1469000921 AJADTFUGMWIWSA-SJORKVTESA-N 436.578 1.747 30 10 IDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(N2CCCOC2=O)cc1 1470323812 WBBLLZKRNBJOTJ-UVFQYZLESA-N 432.502 1.674 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1471420736 HVBLJLUPMPAONF-MEDUHNTESA-N 443.451 1.995 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1479158479 IEQWMLIMPOHJBE-MOPGFXCFSA-N 444.532 1.956 30 10 IDEE CCN1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1502324576 QWJNOPKWQGRMTQ-QQMHEVNUSA-N 436.520 1.397 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1503258739 DJAXWRORZYUEGU-SFHVURJKSA-N 449.533 1.015 30 10 IDEE COc1cccc(Cl)c1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1504360002 AVAQJLJTFJVFQA-CQSZACIVSA-N 430.896 1.840 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H](C)O1 1504736329 TUGHVUSLEIGDKT-JXFKEZNVSA-N 442.520 1.495 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507626348 NQLSQLCDCVHFTO-GOSISDBHSA-N 444.557 1.886 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1507636119 ZDRPZTXHJUGBFD-UXHICEINSA-N 442.589 1.232 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCCn1cnnn1 1507701898 CMAWPWXBVQEWOE-UHFFFAOYSA-N 448.510 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC=CCO2)CC1 1507741030 SZDYZWZRDLXFMG-FQEVSTJZSA-N 437.548 1.451 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507966611 AJFZXCYPLBXXHS-MSOLQXFVSA-N 439.582 1.379 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508158947 ODSLELLESHFYAP-KRWDZBQOSA-N 445.545 1.934 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCCC1 1510189508 HDJWNKUWBNGOBC-PBHICJAKSA-N 427.550 1.205 30 10 IDEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1513514035 BMHXFHSMNIZLNH-UHFFFAOYSA-N 426.521 1.663 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 1516220747 FNJIYNQHLBVDRT-WOIUINJBSA-N 448.568 1.016 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cn2ccccc2n1 1519327591 PYIMTLOZDBXUHT-SJLPKXTDSA-N 425.493 1.621 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)COc2ccccc2C#N)C1 1534577641 SEACCEXNEYOMKR-INIZCTEOSA-N 437.518 1.477 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(C)c(C#N)cn1 1537727461 XTFFZFWIRUHXNC-UHFFFAOYSA-N 443.529 1.849 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)COCCO1 1539258137 QQWUFOQQRMXENC-OAQYLSRUSA-N 442.545 1.117 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1539423148 STIIDIXNYPZZJO-NQIIRXRSSA-N 435.594 1.424 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC)cc2)CC1 1539428493 RYHWJQXXBHJCGQ-UHFFFAOYSA-N 431.500 1.738 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(=O)C2CCC2)CC1 1539454648 WPYCTSGGTLUMMP-UHFFFAOYSA-N 441.605 1.695 30 10 IDEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C(N)=O)C1 1539982553 YELKVFGPMBHNNM-HNNXBMFYSA-N 431.566 1.824 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540864896 OKGVPGZWNOTBJG-ZDUSSCGKSA-N 434.447 1.516 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1[C@H]2CCC[C@H]12 1540897172 CHWYGSGTNPGOCT-GJZGRUSLSA-N 430.534 1.761 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540897979 XLQWWIZEBVGBGQ-UHFFFAOYSA-N 426.587 1.586 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1541803511 IWXJMNWHBQDLJR-QLFBSQMISA-N 440.570 1.832 30 10 IDEE C[C@]1(N2CCOCC2)CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1542021335 XAGARIPIBUBMDG-NRFANRHFSA-N 444.561 1.162 30 10 IDEE C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CN1CCN(C)CC1 1542935610 GIDGSQHADOFSRV-QTSFNNJRSA-N 433.597 1.773 30 10 IDEE CCOc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1547940667 BYHOFJXQKIUSAE-HZPDHXFCSA-N 426.477 1.414 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1552656108 AQNXVQBKCSFXIF-IBGZPJMESA-N 435.532 1.914 30 10 IDEE COC(=O)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1554535764 OWFWKSYDFDGHLP-ZPHPHTNESA-N 428.493 1.461 30 10 IDEE C=CCN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@H](Cc1ccccc1)C(=O)OCC 1556205153 RTEAUTSSPRUXTG-GOSISDBHSA-N 446.529 1.320 30 10 IDEE C[C@H](CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)/N=C1/NS(=O)(=O)c2ccccc21 1559011053 XDOIMNAQTVDGDR-KDOFPFPSSA-N 426.498 1.567 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OCC 1561828768 YHGDURDXEFNENO-MRXNPFEDSA-N 430.910 1.512 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCN(c2ccsc2C#N)CC1 1565459782 UGEMQDBOHJNKKC-UHFFFAOYSA-N 438.550 1.826 30 10 IDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCOCCO)C[C@@H]1C)C2=O 1565538912 FOZIFTCRZSCRAH-PRWKNARSSA-N 425.865 1.762 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1587878547 ACBHVHFCJSTFGF-MRXNPFEDSA-N 427.509 1.898 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588035697 XFXYKQSVCQXTSP-MAUKXSAKSA-N 447.517 1.763 30 10 IDEE C#CCN(c1nnc(CC)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588059615 QYFZPUWNWYEZLV-MRXNPFEDSA-N 425.624 1.295 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1588385409 HODVLHZJYMFPRQ-INIZCTEOSA-N 438.941 1.167 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNc2ccccn2)CC1 1588864927 MCIVIWCHZNRAOE-UHFFFAOYSA-N 433.564 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)[C@@H](C)CC)CC1 1588930507 YAEYEYXKJMSPTC-ICSRJNTNSA-N 430.597 1.868 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC1CC1 1589406655 YTLLHOKVZLFDSD-AWEZNQCLSA-N 433.372 1.952 30 10 IDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1589427150 BQJOKWUFTRRTPF-UHFFFAOYSA-N 435.326 1.468 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1593799975 HWABBMIUFVIBOA-AWEZNQCLSA-N 444.931 1.322 30 10 IDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1595065621 UVZVLDMYFGDFKL-UHFFFAOYSA-N 444.561 1.445 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1595461434 UZBXIKVKMMSKFR-ZJOUEHCJSA-N 446.596 1.711 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595577095 ISMRKJOXJWACCG-QHCPKHFHSA-N 438.532 1.493 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1595577623 YVTUFNZGSONNPR-QFIPXVFZSA-N 427.505 1.463 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)c2ccccc2C1 1595788917 KPVLDKPAINRAPR-KRWDZBQOSA-N 444.561 1.286 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(C)(OC)C1 1595789139 NPICQZBDPYYDNR-UHFFFAOYSA-N 444.517 1.420 30 10 IDEE CC(C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1/N=CC=CC1=O 1598431934 ZFNACSHUVNISBQ-VLGSPTGOSA-N 432.916 1.951 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1617363331 VMANALYGUXNCMT-SFHVURJKSA-N 448.549 1.941 30 10 IDEE CO[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1618946439 HRLIZDKMXVZCLK-GOSISDBHSA-N 435.536 1.768 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1623751154 YCBNOXCKNCWJCE-RBUKOAKNSA-N 428.533 1.664 30 10 IDEE C[C@H](CC(=O)NC1CCC(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1624913266 CMXYEEBCJOQUNG-WLYUNCDWSA-N 441.575 1.223 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)c1 1625118869 HBTUWLMEYVZHKM-KRWDZBQOSA-N 426.560 1.418 30 10 IDEE CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1627308746 LFKCNLINSAQHCW-QGZVFWFLSA-N 437.541 1.161 30 10 IDEE C#CCN(CC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1632177406 QMUCZMOFOPDXQA-UHFFFAOYSA-N 428.533 1.317 30 10 IDEE CSCC[C@@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)NC(=O)OC(C)(C)C 1632880538 SCSXJASXFWTRTM-CMTMBAJVSA-N 426.539 1.666 30 10 IDEE C=CCOC[C@@H](NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)C(=O)OC 1635159207 VHJANJOLGHXZER-CYBMUJFWSA-N 429.399 1.553 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1nc2ccc(Br)cn2c1F 1635378101 DHUDEEDVOLHVMM-UHFFFAOYSA-N 434.229 1.920 30 10 IDEE CCCCCCn1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc2c1=O 1637506698 YNQFDAJZUOZPEA-UHFFFAOYSA-N 448.483 1.808 30 10 IDEE C[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1C(=O)c1cscn1 1638511327 LJMVEZKSEVEWCT-LBPRGKRZSA-N 436.490 1.566 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1640552899 JQLIBDPCDPKZMO-GOSISDBHSA-N 448.932 1.512 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3ncc(Br)n3C2)c1 1653639684 COYMVZVDROCSAN-ZDUSSCGKSA-N 439.335 1.855 30 10 IDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 1660567178 DFGBWQZSHQDNHE-QGZVFWFLSA-N 448.449 1.046 30 10 IDEE COC(=O)c1ccc(OC)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1660692708 DAMSSAQIXUUIIT-ZDUSSCGKSA-N 439.490 1.615 30 10 IDEE CCN(CCC#N)S(=O)(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1670186664 GDSDKCNTOLAQPH-OAHLLOKOSA-N 428.555 1.121 30 10 IDEE COCCO[C@]12CCC[C@@]1(NC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 1686341858 RSXLHVGMXVENTR-WWPVKYPJSA-N 442.516 1.661 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1689907563 CTGHDRKQUYFCQD-UHFFFAOYSA-N 442.549 1.634 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1690015727 WEZPVEKORXBQHU-FXAWDEMLSA-N 432.528 1.879 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1690026766 LAYYKYIUUBKBGH-NRFANRHFSA-N 445.571 1.828 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690098374 GDBOMTIMXOQVBN-QGZVFWFLSA-N 447.561 1.321 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690218664 OAZOIEBXOWQQTN-NEPJUHHUSA-N 449.265 1.948 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1690668193 WHYRVCVQMSDIJF-QKKBWIMNSA-N 427.509 1.679 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1693496836 IEYHUROZGKEITR-OAQYLSRUSA-N 442.589 1.995 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNS(C)(=O)=O 1694258250 HJNVPIJNLCQYIY-ROUUACIJSA-N 432.550 1.488 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@](C)(O)CC)CCN2C1=O 1695776804 HNIIUXFKWRRSEE-VGOFRKELSA-N 437.504 1.450 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC(N)=O 1705513826 ACKXHLFDPIDZEP-HNNXBMFYSA-N 431.566 1.742 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCN1CCCO)[C@H]1CCS(=O)(=O)C1 1705564249 BJHIPYSYOWHWQV-UXHICEINSA-N 449.621 1.409 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705565367 ICHGRVBRZCIPGJ-HKUYNNGSSA-N 430.530 1.900 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1705572261 VPNNEBXXBNNQAG-UHFFFAOYSA-N 440.548 1.937 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CC1 1705582361 ZSXOJZDXVPZPNZ-WJOKGBTCSA-N 437.573 1.436 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1705605476 LYKMKYKOWXGAJC-ZSVKVYQISA-N 442.520 1.305 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1cccc(C(=O)NC)c1 1705628533 KAGRLAOQNJVVMO-FQEVSTJZSA-N 425.533 1.860 30 10 IDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1705736855 DWGOTAGOTWTADQ-LJQANCHMSA-N 442.520 1.845 30 10 IDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 1705742675 BWKLVEREHVITLX-VQIMIIECSA-N 444.561 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC1 1705934455 NGJFBYIACAXZKB-UHFFFAOYSA-N 438.579 1.439 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1711885017 IXULHXPPGWPRKS-LAUBAEHRSA-N 426.477 1.073 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Br)n2)CCO1 1712883341 OLOKRZDEUAQTQY-CQSZACIVSA-N 446.309 1.449 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722318234 XQCJYLMFQLKYQS-SFHVURJKSA-N 433.520 1.599 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722332408 KLBNHIGHYYORKH-MRXNPFEDSA-N 436.582 1.224 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1722364522 HUPLLCCCUDGLTP-ICSRJNTNSA-N 442.589 1.232 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[S@@](=O)CC)CC1 1722441315 LHFSDZKLDURRIZ-PMERELPUSA-N 431.562 1.390 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCc2c[nH]nc2C)CC1 1722448709 GDLIFQRUNOCODM-UHFFFAOYSA-N 446.559 1.894 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1722476272 ZPGPZETXILRKBH-OXQOHEQNSA-N 439.582 1.418 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCC(Cn2ccnn2)CC1 1722486902 GVGAWEBGOKKOFE-UHFFFAOYSA-N 449.357 1.817 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722522180 CDASNFDUWJFTTM-AEFFLSMTSA-N 429.569 1.375 30 10 IDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722533751 AAFJJFBJGLSWOS-GOSISDBHSA-N 434.566 1.568 30 10 IDEE C=C(C)Cn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1722553404 QTEIYLGYEYDJDU-QFIPXVFZSA-N 441.536 1.327 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1722649420 QBJAPXHSIRLZEF-KRWDZBQOSA-N 430.534 1.363 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1722732033 SYLBBJVERBCZHK-MRXNPFEDSA-N 433.534 1.078 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1722869918 RJPYOHFZGXRYSZ-BRWVUGGUSA-N 446.581 1.179 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1724017229 FCVAHDNTCYZSIM-HOTGVXAUSA-N 434.566 1.225 30 10 IDEE CN(CCn1cccn1)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729540121 RXWHOSNLJWCJOS-QZQOTICOSA-N 438.536 1.870 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN1CCCO 1730949813 RVXGDDPUZDPDJH-SRYPRDQNSA-N 446.596 1.979 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1740539041 MRAFVJUFFHBWEH-INIZCTEOSA-N 425.493 1.475 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740623511 VQKFMLRIKDDOAN-INIZCTEOSA-N 441.517 1.209 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(-n2cncn2)c1 1740629543 QWDDLJFYZFAQGK-UHFFFAOYSA-N 437.467 1.627 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740634975 JOASEAATVIZHOJ-MRXNPFEDSA-N 426.908 1.561 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCC[C@@H]2CO)CC1 1740696005 IZNUOBVFHUXFKU-NHCUHLMSSA-N 430.597 1.164 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1740708975 HDHLVAJUKSJXQC-UHFFFAOYSA-N 449.544 1.408 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CCO1 1741104258 GVXUWNYLYCQPDZ-LJQANCHMSA-N 439.520 1.073 30 10 IDEE Cc1nn(C)c(C)c1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1742660852 BOMOZSMVNYJRRM-UWJYYQICSA-N 429.525 1.446 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1743406822 ONHMYFHRKVMNNO-LJQANCHMSA-N 426.521 1.711 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)CC#N 1747443358 BUPNYULETFUNRY-INIZCTEOSA-N 442.549 1.808 30 10 IDEE CN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1747543116 BDYRRQZHHVUMAS-UHFFFAOYSA-N 448.506 1.689 30 10 IDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1747648351 VURNTQYDVAFTTB-ZBBYCGENSA-N 439.545 1.732 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748812380 UQIVSHNUQSQWIP-HNNXBMFYSA-N 443.558 1.483 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1748847137 OXZVEDBFWGQMRU-GOSISDBHSA-N 447.605 1.142 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCC(=O)N2CCCCC2)CC1 1748978708 RMJJLXCCEDXWFR-IBGZPJMESA-N 432.569 1.160 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCC(=O)N2CCCCC2)CC1 1748978710 RMJJLXCCEDXWFR-LJQANCHMSA-N 432.569 1.160 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1748989192 HVUMFCRTNMQNCL-NRFANRHFSA-N 436.560 1.482 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1748989525 MXBKMJSPHACTFB-LJQANCHMSA-N 437.548 1.679 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749126519 DETKZTUPWBAFHS-CRAIPNDOSA-N 449.581 1.178 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749659689 HTBKZZYLPKLZJF-OAHLLOKOSA-N 430.534 1.378 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749676150 GTSYRTLYIMHIKM-JOCHJYFZSA-N 436.520 1.052 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749741218 UDDLZHKRDPEMFZ-HDICACEKSA-N 436.626 1.979 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](F)COC 1749967177 PSOYRJOLSSFXTE-BBRMVZONSA-N 434.472 1.522 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)CCO1 1750389263 XSSMWSULEQKKKB-INIZCTEOSA-N 427.534 1.260 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)n1 1751844768 BINCRIIBMKHNFS-GOSISDBHSA-N 435.529 1.549 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1760117100 MIULSSUZDSRCCU-ZBFHGGJFSA-N 445.536 1.894 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1760135073 HYSIFCVQMNMJAI-KDURUIRLSA-N 436.516 1.846 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1760165540 VVJMWLMKBSZWNJ-QFIPXVFZSA-N 429.496 1.498 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@H]1CCOC1 1760176049 YHFXWDCLTKSPCZ-IBGZPJMESA-N 425.537 1.717 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1760187801 GWULSYNPDWOQSC-MRXNPFEDSA-N 432.550 1.567 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1760232851 DWDGDTAJUGQQPL-CYBMUJFWSA-N 438.351 1.846 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCC2)CC1 1760264898 HQHDZQCJCDQJSP-UHFFFAOYSA-N 430.553 1.077 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OCC)CCOC1 1760349659 VIOMAFNTYSDUCZ-MGPUTAFESA-N 430.513 1.038 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760373961 FXJJCKDHYIZYRL-STQMWFEESA-N 428.902 1.202 30 10 IDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1760512004 VYRMHXNEPIXWSR-UHFFFAOYSA-N 434.566 1.327 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](CN3CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1760528577 HABJHTDAJVQGMY-AUSIDOKSSA-N 446.596 1.545 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760677210 DHHHLSYFVMQLQX-UHFFFAOYSA-N 449.494 1.599 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1763197373 DVGIOWJEXSYPPP-GVDBMIGSSA-N 441.602 1.128 30 10 IDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)cc1OC 1766281992 WSMFHRKMSFMYOY-SFHVURJKSA-N 442.520 1.997 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1766427892 FFESGRFVRMLLEA-SFTDATJTSA-N 440.548 1.834 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H]1C 1766988246 QPOCVGMVRGAWED-IAGOWNOFSA-N 445.593 1.675 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768032120 FURCAYQPCZGIBK-QQMHEVNUSA-N 437.504 1.729 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCOC1 1768576748 MAZBJBNWYIDHKJ-QZTJIDSGSA-N 445.545 1.779 30 10 IDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)ccc1OCCO 1769853518 DGAHLBMEAJPMNQ-GDBMZVCRSA-N 428.493 1.253 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770923954 MYWHFZFKHUTFTO-UDJKBAMHSA-N 425.493 1.283 30 10 IDEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1771535858 BCKJTTFFZSXLSB-UHFFFAOYSA-N 438.467 1.889 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)cc1OC 1849815682 MAKVEXQTLKDIFZ-AWEZNQCLSA-N 436.472 1.066 30 10 IDEE Cc1nc(C(=O)OC[C@H](C)N2CCS(=O)(=O)CC2)c(C#N)c(C)c1Br 1851799386 KWSPTVVQPUYVEG-JTQLQIEISA-N 430.324 1.608 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1854466493 KWRJSCKRZPZNMR-QZTJIDSGSA-N 435.521 1.780 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CCN1CCC#N 1855882169 DNDJADYDURMQAE-QGZVFWFLSA-N 436.509 1.342 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1868595225 HJMMHAPWGPUOPF-FQEVSTJZSA-N 448.589 1.332 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N(CC)CCc3ccncc3)ncnc21 1873561949 GVCFMNDFUSKECN-UHFFFAOYSA-N 438.532 1.508 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3CCN(CC)CC3)ncnc21 1873562030 KGGNUCAHEYJYBJ-UHFFFAOYSA-N 425.537 1.064 30 10 IDEE C#CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1993266010 AMUCGYGBPDZLAZ-MRXNPFEDSA-N 425.526 1.733 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CO 2006231413 NHHRYOHCMIAIEK-STQMWFEESA-N 427.361 1.822 30 10 IDEE C=C(CS(=O)(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243417803 WSGUKVPYOOYCPS-GOSISDBHSA-N 434.364 1.369 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248412579 LSYDVRLZXMJGBI-AAEUAGOBSA-N 441.359 1.333 30 10 IDEE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248444431 AHXQCGWXRZFLJY-MNOVXSKESA-N 442.347 1.126 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2255605392 LVFRKUZSZVULOG-OLZOCXBDSA-N 435.334 1.005 30 10 IDEE COCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2255626807 KTIZTOFLDCTXNZ-UHFFFAOYSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255631908 GFXLBLZCGFCGMM-ZSOGYDGISA-N 432.330 1.552 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255651070 GUMXYTWPTXSIGW-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255657132 KOAOWJZUEMWUBB-XFIYOXNOSA-N 440.346 1.316 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)n(C3CC3)c2)OC1(C)C 2255820848 WBMLUXKKNJCYGR-UHFFFAOYSA-N 427.232 1.625 30 10 IDEE CC(C)(C)OC(=O)NC1CC(F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255826093 KFVOQSFCTGPUGM-UHFFFAOYSA-N 438.309 1.834 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255873074 AXQXZVFLHGJTKT-CQSZACIVSA-N 432.330 1.763 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267278540 DGZNTCCQTAAGHN-JLCFBVMHSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267282779 HDPLLHGZERNNMD-XZDPQHSOSA-N 448.325 1.989 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267477660 OKBJTCAEYSFZEP-HUUCEWRRSA-N 447.341 1.481 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267526609 VBZCESZMCFXKQZ-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC2(C1)OCCO2 2267702854 MNOOYXADWSXHNF-UHFFFAOYSA-N 429.369 1.883 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)=C[C@H]1O 2268716239 UGIRTLXQAQONMB-HZPDHXFCSA-N 445.325 1.904 30 10 IDEE CC(C)(C)CN(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270535862 NJZLSHXATGXNGI-MRXNPFEDSA-N 425.507 1.958 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)n1 2270600238 QUMBQMSGWLDVCP-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282319054 OBPMVLVTTLQCBX-GHMZBOCLSA-N 438.833 1.682 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)ccc2F)OC1(C)C 2282419080 MOAOYQWUYAEUDU-ZDUSSCGKSA-N 427.303 1.508 30 10 IDEE COc1cc(C#N)ccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286033001 NENMMLUVMZZTQA-MRXNPFEDSA-N 433.442 1.688 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(C)c1ccc(C#N)cc1)NC(=O)OCc1ccccc1 2286044858 MCGQYQMLDQLMCV-GOSISDBHSA-N 431.470 1.792 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)n1C 2315634985 FBDCKYZQYYCNRF-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@@H]4[C@H](C3)CS4(=O)=O)c(Br)c2)OC1(C)C 2336396359 BECHZKGFSXSGNA-ZWNOBZJWSA-N 429.145 1.377 30 10 IDEE COc1nc(O[C@H]2CN(C)C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339824588 NSPULNPRXONLJG-CVEARBPZSA-N 449.357 1.976 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1OC 20806432 NKHNOSNAIAPBBR-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE Cc1ccc(C(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)cc1 59914573 LJBBSCCAVXHWGM-UFFVCSGVSA-N 428.522 1.527 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1 238944430 WHUPLTLFJPBWHB-ZIAGYGMSSA-N 438.513 1.501 30 10 IDEE COc1ccc(C)cc1N1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@H]21 254410640 XBLGMKQQHJMQNP-UKRRQHHQSA-N 426.516 1.860 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(c2cc(OC)ncn2)CC1 461362043 OUTOQEZDULOAFV-UHFFFAOYSA-N 441.536 1.572 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 462598091 ZWFSNCDDIWDPTG-GOSISDBHSA-N 435.546 1.395 30 10 IDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)ccn1 474201181 WXDMNQIMAWIIAC-UHFFFAOYSA-N 441.332 1.924 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)cc1 474520871 SLEQRVCOIOKXEG-USNOLKROSA-N 434.496 1.918 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 488587627 ZOXHKYYQQQHNLC-NWDGAFQWSA-N 432.868 1.975 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 490279737 QXGHETPIHBMMHR-QGZVFWFLSA-N 429.502 1.104 30 10 IDEE CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1OC 507904034 SRHYGHSBYAAPGL-UHFFFAOYSA-N 446.876 1.961 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCOC2)CC1 549673554 VECBGNQJERLRSX-HXUWFJFHSA-N 438.576 1.638 30 10 IDEE COCCN(C(=O)c1cc2ccccc2n1CC#N)c1c(O)nc(=O)n(CC(C)C)c1N 609215485 KBQHFTSTJSJEKL-UHFFFAOYSA-N 438.488 1.959 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 730139053 PKHUVDWVSBJNCI-WMLDXEAASA-N 449.577 1.219 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)c1 753875098 WQFGDYMATXFESN-LJQANCHMSA-N 437.481 1.431 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@](C)(O)C(=O)O 757330137 OOXCNIHWLINGMB-HYBUGGRVSA-N 436.464 1.869 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1 767633457 BUEYIWRHLFDMQM-KBPBESRZSA-N 433.461 1.785 30 10 IDEE C#CCN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 769681313 AKKGNVLPZNZOOY-XLIONFOSSA-N 429.542 1.500 30 10 IDEE C#CCN(C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1CCS(=O)(=O)C1 774156735 PFUXUBZRZMICQO-LLVKDONJSA-N 449.842 1.733 30 10 IDEE C#CCN(C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 774188195 QJLDRSUWEPUMHO-OAHLLOKOSA-N 442.335 1.011 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC2(O)CCC2)c1 790022531 UXFAFHAFDZGCFF-IBGZPJMESA-N 442.585 1.972 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790749337 VEKZNYAAMGZIKZ-CQSZACIVSA-N 425.580 1.226 30 10 IDEE CC(C)CN(C(=O)COC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 795822680 FDKKFQNQGZUOPC-RTBURBONSA-N 431.514 1.455 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 796094629 DGVBZDVOCGMESA-KSFYIVLOSA-N 441.509 1.663 30 10 IDEE Cc1ccc(C)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807928965 KTOIEMZZQPXTFA-GOSISDBHSA-N 443.577 1.632 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 809889389 AOVVHILGDHQSGX-HZPDHXFCSA-N 434.541 1.864 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 813562709 KYXXVHIHFJKAKG-SWLSCSKDSA-N 439.969 1.474 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 813562885 NAEMBAUILINOCE-SWLSCSKDSA-N 439.969 1.474 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 814613382 ANFJGMDTYCCNAZ-SFHVURJKSA-N 441.465 1.287 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCCc2cnn(C)n2)C1=O 814703591 FLTVCLBWQSBINO-GOSISDBHSA-N 443.577 1.447 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCC 837508430 KOQDDYMWZBVCDR-UHFFFAOYSA-N 436.541 1.320 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1C[C@@H]1CCCO1 837857424 WVRQWAWBZMHSPE-HNNXBMFYSA-N 443.912 1.930 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 917925770 NCYJGVIVSFVHTH-JTQLQIEISA-N 437.293 1.168 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCCc3nc(C#N)ccc32)C1 1130600795 IMNKXDZFXZHOLE-SPLOXXLWSA-N 446.529 1.514 30 10 IDEE CN(C)[C@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C12CCC2 1149194112 IKOWHYWOOUAMAR-UXHICEINSA-N 430.574 1.948 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1OC 1158216544 YKVUWSPQFYAYAU-UHFFFAOYSA-N 436.515 1.082 30 10 IDEE C#CC1(O)CN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C(F)F)C1 1158398812 XWJHBHZHGASJAV-UHFFFAOYSA-N 425.436 1.608 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)c1 1161635772 GLBIAYJUOKDJMZ-UHFFFAOYSA-N 448.526 1.011 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCO2 1248651946 VPOUPLNXPOJQNP-DEXSKKNNSA-N 436.509 1.545 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](CC)OC)c1 1286307848 BHDWIDMZMDYGCS-SFHVURJKSA-N 426.521 1.898 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286348453 XEHNMQXGDIASME-UHFFFAOYSA-N 442.549 1.239 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1NC(=O)CC1(C)C 1286369835 BWDGJQZWUQWNEQ-OAHLLOKOSA-N 429.550 1.222 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286387713 UOUDZTFYFTYRQY-SFHVURJKSA-N 429.546 1.784 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC(=O)N1 1286450055 MOTMAYBFOZXPJL-HXUWFJFHSA-N 435.576 1.381 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)CC1 1286472886 WOQARYGJAVYIEN-VGSWGCGISA-N 429.496 1.464 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286511372 JZZYDZQZAPQNJE-IAGOWNOFSA-N 438.623 1.764 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286789672 JBNRJPCGTDLJKF-ZDUSSCGKSA-N 433.538 1.213 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286809916 MKHCNVKDHGCFNL-SQNIBIBYSA-N 439.582 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2CCCC[C@@H]2C1 1286819757 VAUVLWBAFINQDE-GOSISDBHSA-N 430.578 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCOC1 1286824937 KJRXXUSNNBCUBU-TZMCWYRMSA-N 428.465 1.903 30 10 IDEE CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 1286953451 ZSAHPEQEHOYOPD-UHFFFAOYSA-N 437.552 1.718 30 10 IDEE CC[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1291359986 OIEIXYXTWCFFLI-JTSKRJEESA-N 443.552 1.756 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](COCCOC)C1 1295067645 XQZYMELKYLQHPI-GOSISDBHSA-N 426.521 1.784 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 1299673962 DGCCJWVMGISXCM-MZPVMMEZSA-N 449.435 1.554 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1300495378 GQGDXYKJPIKUGU-ICSRJNTNSA-N 447.605 1.821 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1300496104 OCGCFEYZRFOLLM-HOTGVXAUSA-N 446.520 1.818 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300499629 VRIBJKBHKRDBAC-UGKGYDQZSA-N 443.573 1.706 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@H]2CCS(=O)(=O)C2)n1 1300681125 KQAKGRDPSBJXCG-QGZVFWFLSA-N 446.577 1.463 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1300756577 QFZUQZIKSBBSEA-QGZVFWFLSA-N 440.577 1.329 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301248644 IEYQERQNCYXFPB-UHFFFAOYSA-N 427.509 1.397 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1301584439 ABIYFWJDOZMYDY-HNNXBMFYSA-N 436.538 1.841 30 10 IDEE COc1n[nH]c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1Br 1302793000 DZNJPXQFZDFUKG-MRVPVSSYSA-N 428.268 1.358 30 10 IDEE C[C@@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1305111355 BOQPMSAMVXVPRN-YVHKJVDXSA-N 447.559 1.730 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1307053658 JDJPDYJDDWEWEK-BRWVUGGUSA-N 425.603 1.891 30 10 IDEE Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O 1307372505 UEDGWKHVMZQKNG-UHFFFAOYSA-N 426.517 1.147 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1314641591 CPTHZCBMWPZULF-UHFFFAOYSA-N 449.519 1.325 30 10 IDEE COCCOC1(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1316225784 UOMVGAXUFZVTKX-SFHVURJKSA-N 428.493 1.281 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)cc1 1316335635 DVAVFRHDZYWBMM-MRXNPFEDSA-N 426.502 1.648 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1316531657 QEUHJTYIKFSDAH-VZCXRCSSSA-N 433.472 1.570 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CC1)CNC(=O)C2 1358933979 KZHSESPBBXNQJF-UHFFFAOYSA-N 426.546 1.790 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358965368 TXKYOMLSGPWCGG-GHTZIAJQSA-N 429.546 1.052 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1358976543 IBXABIYPYKUYBP-UHFFFAOYSA-N 443.529 1.436 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(N)=O)c1 1359064446 SOYVAFNDRSEWSZ-VBKZILBWSA-N 430.534 1.028 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359077726 JQDRTDLQWCKWFG-DYVFJYSZSA-N 428.331 1.770 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359301737 JOBAPIMINIMFDP-UHFFFAOYSA-N 428.541 1.294 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)C1 1359313666 PRDHQOUWDPJEOI-HOCLYGCPSA-N 436.538 1.122 30 10 IDEE CC(C)N1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1360138377 FOTDKTUAYKVNBZ-ROUUACIJSA-N 438.536 1.775 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCN(C2CC2)CC1 1360671045 BQWQIRAWYMUJRQ-HNNXBMFYSA-N 435.598 1.503 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1360834693 IRNJHFNMVMQHMI-WOJBJXKFSA-N 449.508 1.596 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCCC[C@H]3NS(C)(=O)=O)n[nH]2)c1C 1449250655 QJMDWWFHSWMXQQ-HZPDHXFCSA-N 434.566 1.914 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@@H]2C)cc1 1455915530 KJTSROVZSDBSFX-AWEZNQCLSA-N 430.486 1.016 30 10 IDEE Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2=O)n(C)n1 1457162754 BTQWVJOCSKQIDN-PBHICJAKSA-N 440.891 1.528 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1466064701 QUQJXPNXJRFSBT-HPFXQQBRSA-N 426.521 1.888 30 10 IDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1=O 1466737713 RTYUUTIBBMGCIZ-GDBMZVCRSA-N 446.504 1.679 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(Cc3ccncc3)CC2)s1 1467672704 UPLOLHRMODBMNU-UHFFFAOYSA-N 435.571 1.746 30 10 IDEE C=CCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1468107775 ZJRQOEUVDFWODX-UHFFFAOYSA-N 445.925 1.196 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1468543276 FECRGPSPOOGODD-HXUWFJFHSA-N 433.516 1.764 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2CCN(C3CCOCC3)CC2)ccc1F 1470015538 VCCFISMSTZXREY-UHFFFAOYSA-N 439.553 1.911 30 10 IDEE CS(=O)(=O)c1ccc(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1472618850 LEAGNJRUGYZMHT-UHFFFAOYSA-N 430.482 1.927 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](CNS(C)(=O)=O)C2)n(-c2ccccc2)c1C 1473776128 ARBABAYGDSWJHT-KRWDZBQOSA-N 429.546 1.775 30 10 IDEE CCOC[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1503159218 KVOCZTJPSNXUND-JXPGLKHUSA-N 430.509 1.519 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1503405153 GNQPKPUEESVEMX-UZLBHIALSA-N 448.524 1.523 30 10 IDEE CN(CCCc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1503588323 LEWFABBCXFOUNJ-UHFFFAOYSA-N 439.545 1.830 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1504896078 NIHUKRGSRXRUMG-FQEVSTJZSA-N 431.518 1.390 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507631408 DGZAESFESFYZSP-LJQANCHMSA-N 435.594 1.285 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2nccs2)CC1 1507716910 WHIYRICIYSJEKR-UHFFFAOYSA-N 436.545 1.770 30 10 IDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)CC=C)CC1 1507723349 FGEXISASSSFNPU-UHFFFAOYSA-N 438.557 1.782 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C)CC1 1507734464 XJLTUFPFIKVJIS-UHFFFAOYSA-N 434.544 1.837 30 10 IDEE C#CCSCCn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507756075 YCAWBOOINARKBO-PXNSSMCTSA-N 430.622 1.901 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507833085 VUFPCNXUFRVVRT-UHFFFAOYSA-N 429.550 1.137 30 10 IDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(N2CCNC2=O)CC1 1507846491 NJTAEWPRSSYVFC-UHFFFAOYSA-N 425.537 1.851 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCO)Cc2ccccc2)n1Cc1ccc(C#N)o1 1510179185 WKSXJRXAJIAYPW-OAHLLOKOSA-N 444.517 1.400 30 10 IDEE COCC1=CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1518822508 SNYIFTOUSRTNST-RWNPKEDZSA-N 442.520 1.481 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1519071227 HNIQXLNIKXEQEO-UHFFFAOYSA-N 434.504 1.978 30 10 IDEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1532472392 PSUMOHWTVOQIGG-KAECEXQPSA-N 448.497 1.903 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2n[nH]c(C)n2)c1 1539039428 CNKIKVHYEVOPLU-UHFFFAOYSA-N 444.503 1.404 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539211351 HZGAQSSZWMPVQT-WBVHZDCISA-N 448.545 1.624 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1nc2cc(OC)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 1539218826 DVBIOTRNUUCSJR-OAHLLOKOSA-N 442.545 1.411 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539441109 KZVKOWGIWHHBLT-HXOBKFHXSA-N 441.532 1.257 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H](C#N)c2ccc(F)cc2)C1 1540577349 RJHBPHYMDWIZQK-HZPDHXFCSA-N 425.482 1.931 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1544055169 VWXUCRMRNOJCRH-CQSZACIVSA-N 425.532 1.159 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1 1546286973 XHYDIANSFBNYOU-INIZCTEOSA-N 427.567 1.215 30 10 IDEE CN(Cc1ccco1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1554181837 MRHCDQIYISVKCE-VXPUYCOJSA-N 439.476 1.156 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)c1 1554500114 SBAMHPLJIZUXOZ-NVXWUHKLSA-N 432.550 1.724 30 10 IDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1555462026 KLXLWCJMJOTBSS-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C(=O)/C=C\c1ccc(F)cc1 1557176599 HFOSUVWAJGQSLB-FLIBITNWSA-N 435.433 1.753 30 10 IDEE O=C(NCC#C[C@@H]1CCCCO1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1558751588 VTMGNSJTBFEWPX-SFHVURJKSA-N 448.541 1.547 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cn1 1569043280 CDIFWQBETKVIDF-GOSISDBHSA-N 443.529 1.532 30 10 IDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1569227612 FDSFYGUTRKUTHD-BEIWTESXSA-N 435.521 1.826 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1583062186 ZUDOVCOWFRQJID-SFHVURJKSA-N 441.509 1.485 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1584123960 LURNLZNDAREEPA-QHCPKHFHSA-N 436.512 1.853 30 10 IDEE C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1586824597 SNIUCPVUPTWTEB-HNNXBMFYSA-N 437.743 1.872 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1588045029 FTPAOYPRJMBQDM-MSOLQXFVSA-N 432.546 1.542 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1588083419 GXQHUZQHSSZRJR-LPHOPBHVSA-N 446.552 1.403 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(C)=O)CC1 1588627772 ACHCVZAKKZWNQC-UHFFFAOYSA-N 442.520 1.350 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CC1 1588780679 VFOUMQHWEZUWTG-UHFFFAOYSA-N 428.924 1.213 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1594568203 UULVUOQVSDORMD-OAHLLOKOSA-N 428.559 1.523 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@H](CO)O1 1594868190 TXMVPIRHDZQKHI-JKSUJKDBSA-N 434.566 1.709 30 10 IDEE C=CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC)C1CC1 1595051106 SXDIGODNAGEAOL-UHFFFAOYSA-N 427.534 1.835 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1595302952 IKGVLKNYFJMCFR-MRXNPFEDSA-N 448.549 1.358 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1595569618 KTDGRUNLDMCALB-UHFFFAOYSA-N 438.532 1.308 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2c(ccnc2O)C1 1595784946 OHXKNFHSDSEWRB-UHFFFAOYSA-N 428.518 1.548 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1595805691 SLYFWTZOJACDHB-UHFFFAOYSA-N 431.562 1.840 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1596850478 OWEJFIBMFWOAFA-FSTVOOFJSA-N 447.584 1.711 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1597814518 AQQXPMJHYMNZIC-UHFFFAOYSA-N 438.532 1.996 30 10 IDEE CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCNS(C)(=O)=O 1602766619 NGSAPFVEMGBQCR-UHFFFAOYSA-N 445.593 1.929 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCCN(C)C 1602849047 FKYXSQLPNSNSLL-KRWDZBQOSA-N 427.557 1.356 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCC[C@@H]1C 1608453909 OIBQVXOZZNDOBC-FPTDNZKUSA-N 439.520 1.502 30 10 IDEE COC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccnc1 1616290396 ALSHSBAWNPVGLW-LJQANCHMSA-N 442.497 1.384 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)CCO1 1618710050 OVZWDRVIVBQXML-SFHVURJKSA-N 428.493 1.107 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@@H](C)O1 1619733611 HSQODXMTTQUBFF-GTCCEBARSA-N 427.505 1.862 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)COCCO1 1619913443 CTVLJWDFKMFMFH-QFIPXVFZSA-N 439.520 1.689 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CNC2(c3ncccn3)CCOCC2)CC1 1620606799 BKVBUSZFTCQDRB-KRWDZBQOSA-N 426.546 1.542 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)c1 1622338008 KYMNALUWNRDOOW-KKSFZXQISA-N 436.530 1.581 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC1 1624003485 MIKLSRCYJYGBDN-UHFFFAOYSA-N 440.938 1.476 30 10 IDEE C#CCN(CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12)C(=O)OC(C)(C)C 1626532465 GFYIRAJFLDNWOK-UHFFFAOYSA-N 428.449 1.936 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1 1626718864 MQIKZULITFGIRK-UHFFFAOYSA-N 439.534 1.253 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)C1 1628332010 DXGQAPDITNUDHG-UXHICEINSA-N 430.549 1.474 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)nc1 1629976730 UKRZWJLPUQLVAE-UHFFFAOYSA-N 440.525 1.994 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1630287633 IHRMHPPAFDYYAY-INIZCTEOSA-N 442.541 1.503 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)cc1 1633364995 XQRZGYGYQFXGMJ-UHFFFAOYSA-N 446.529 1.842 30 10 IDEE CN(C)CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1635120829 YWFIHYYCFATUIZ-HOTGVXAUSA-N 430.571 1.151 30 10 IDEE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)CO)ccc1Cl 1636696594 SVFJTWFUKODLAX-MRXNPFEDSA-N 442.896 1.943 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(O)(CN4CCOCC4)CC3)CC2=O)cc1Cl 1637086998 FTVDHYSBMPGPPX-QGZVFWFLSA-N 446.935 1.250 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC#C[C@H]2CCCCO2)CC1 1637186852 ZVXMFIJNPFQJTJ-GOSISDBHSA-N 448.541 1.563 30 10 IDEE CS(=O)(=O)c1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Cl)cc1Cl 1637513185 KZJMSZPYMCXASN-UHFFFAOYSA-N 443.268 1.228 30 10 IDEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OC 1638394866 ISJQHOMRRILGFG-MRXNPFEDSA-N 426.539 1.441 30 10 IDEE COC(=O)c1ccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)s1 1639515819 CQKWOUNVPWBWTO-OAHLLOKOSA-N 426.454 1.928 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C1CC1 1640458336 DKZRBCBERAECDF-RCCFBDPRSA-N 447.557 1.797 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c1 1642903937 KGZJLTKVIDNAMN-UHFFFAOYSA-N 441.553 1.355 30 10 IDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1Cc1ccc(F)cc1 1644183825 OXNAWYBEGSHCSR-UHFFFAOYSA-N 438.459 1.671 30 10 IDEE C=CCC1(O)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1651763933 LWNJYFCPYHBVRA-UHFFFAOYSA-N 428.470 1.832 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)s1 1652987330 DVLJJOZNZHTOCS-AWEZNQCLSA-N 448.526 1.670 30 10 IDEE C=CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1654211658 UPHJFYWFHFAYPI-OAHLLOKOSA-N 445.969 1.822 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCC3(N4CCOCC4)CCOCC3)C2)nc1 1686731639 YTQOFUJIJVRCQJ-IBGZPJMESA-N 428.537 1.421 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1689851850 WJBWTLJGLWJIFI-WBVHZDCISA-N 444.561 1.780 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1690313240 OJRHNXGYUIBTGO-SFHVURJKSA-N 443.552 1.890 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690506063 BPGMFBFRAZLAIP-UHFFFAOYSA-N 431.504 1.921 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1690533353 GBXLQIGQHZMXJS-MRCUWXFGSA-N 433.472 1.877 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1690665847 RIMQWXWEBKXIPQ-CRAIPNDOSA-N 437.508 1.227 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1690997636 NNEGSOMTEKDEDC-INIZCTEOSA-N 436.524 1.679 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1691003994 NKXSFJYVUPFGLU-WBVHZDCISA-N 432.550 1.658 30 10 IDEE CN(CCC1CCOCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696791670 AITNYIRVNVPNRJ-UFVMTTLYSA-N 444.536 1.561 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(S(N)(=O)=O)cc1 1705476258 UTXMDGLRPLIJIY-OAHLLOKOSA-N 446.577 1.545 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705570530 OCFDMIQQJWGTQW-GOSISDBHSA-N 431.562 1.442 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccccc2F)CC1 1705637868 OZMFNZILWQNKHM-UHFFFAOYSA-N 435.507 1.608 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1705663672 BRKRXMQGGOMLGB-AWEZNQCLSA-N 432.575 1.351 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(CC)CCS(C)(=O)=O 1705694070 NQVJSQPLKYIQOF-CVEARBPZSA-N 427.571 1.268 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705702310 GSYAOAIROQHFEV-JRBPQWBISA-N 427.505 1.682 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCCC2)CC1 1705762512 BDFRBCJJRSAKNX-KRWDZBQOSA-N 438.598 1.837 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1705828931 CFOVLABQIZBFFE-KRWDZBQOSA-N 431.566 1.601 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@H]1C 1705835253 FGVPPCBIACNUCJ-MGPUTAFESA-N 434.566 1.709 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705896380 KLSFIYHMUWNNRD-OAHLLOKOSA-N 428.449 1.545 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(CC)cc2)C1 1705901672 SPHOLKQRXXAJHM-RBUKOAKNSA-N 438.532 1.672 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCCC2)C1 1705907352 JOWVCFAAUPHSPV-UHFFFAOYSA-N 444.561 1.721 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705932773 KHHDLGGNBNSKDZ-KRWDZBQOSA-N 444.517 1.815 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@H]1C 1705935909 GLTAGONRRYXYLG-QLFBSQMISA-N 448.636 1.111 30 10 IDEE C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1706082062 XHYSZFYYSAHUNV-OAHLLOKOSA-N 425.537 1.878 30 10 IDEE CC(C)SCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1706714835 BAXZLKIBUIEVBH-PBHICJAKSA-N 446.574 1.195 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1706937883 XPLAHNCYDMGRLM-MXLIYFDZSA-N 439.520 1.829 30 10 IDEE COC[C@@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1712164905 RIXSUXIFLGZJFQ-ROUUACIJSA-N 430.484 1.850 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722372010 ZXINMVUOJRLZRA-RTBURBONSA-N 435.594 1.632 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C1CC1 1722375271 MEMLJFKPNKZUQD-HXUWFJFHSA-N 441.557 1.693 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1722384408 VTJPMYJEWUBFHP-SFHVURJKSA-N 431.562 1.046 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1722389755 LONAPTOZYZCEJI-QFIPXVFZSA-N 442.541 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1722396219 GZHRVCGOIXYDKU-CQSZACIVSA-N 434.472 1.419 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(C)COCCO1 1722405150 JNAOQMGVZKXMHP-OAQYLSRUSA-N 446.577 1.812 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722453039 NKBCZIFFEIVUPI-HNNXBMFYSA-N 431.522 1.150 30 10 IDEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)N(C)C)CC1 1722565647 AXIOKOJPNHHSKA-GOSISDBHSA-N 433.534 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1722736718 FXFWPZKZJQDZRU-YJBOKZPZSA-N 430.596 1.473 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1723057585 KKJDDDNJBZBQSS-UHFFFAOYSA-N 439.564 1.700 30 10 IDEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)cc1 1724420679 FYQFMDSBANNKRD-UHFFFAOYSA-N 444.561 1.941 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCSCCCO)CC2)c1C#N 1725863276 OMTZYXGKTQQROS-UHFFFAOYSA-N 446.625 1.931 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1nccn1C(F)F 1729556254 BFEXUDHIIZGPCE-UHFFFAOYSA-N 435.460 1.937 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1730872966 FAWMHXDGAVLYSE-MAUKXSAKSA-N 428.493 1.072 30 10 IDEE CSC[C@@H]1CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1731096883 QGUGQGSQNHQLPA-MCYOWCNASA-N 432.550 1.640 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)CCOC)c1 1740564415 MHDRLANAWJZNGK-WZONZLPQSA-N 441.532 1.626 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1740621793 PFJGMVDAVHXTMR-XUVXKRRUSA-N 441.557 1.948 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1740628167 OEFSVQZKKXQMQK-MRXNPFEDSA-N 437.591 1.757 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)c(OC)c2)CC1 1740689442 WSRKSVVKSOZUMH-UHFFFAOYSA-N 442.951 1.980 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740742752 AMLUPNPLEBNFJU-ZDUSSCGKSA-N 437.342 1.587 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740786449 DFMZJQLDEZGNMP-UHFFFAOYSA-N 442.520 1.662 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1)C1CC1 1740911384 ZZDKNTCOLSKXAQ-PKOBYXMFSA-N 437.610 1.692 30 10 IDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1740912409 CFWNIRCBGZZLEC-UHFFFAOYSA-N 434.566 1.234 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCN(C)C2)C1 1740971940 AMTRSBQBPCKQPS-COPCDDAFSA-N 435.569 1.167 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@H]2C)C1 1740972050 CDQAWDDIZMZZEN-YYAJDYIMSA-N 427.571 1.221 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1741001243 OUHXRZFHQWKDNO-IAGOWNOFSA-N 447.609 1.731 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1741806957 WLAMTWSPUMZMBG-HUUCEWRRSA-N 428.584 1.247 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](C)N(C)C)n1 1742708066 FLLXRYIUIXPIAF-LJQANCHMSA-N 448.579 1.683 30 10 IDEE CN(Cc1ccccn1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747755832 XIIVAIXWLLTINJ-BSBNDGSWSA-N 437.504 1.730 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1748789450 KCSCUSJPNRHYSG-BBWFWOEESA-N 435.525 1.196 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1748816018 VQXRTABXPISZCZ-IAGOWNOFSA-N 437.566 1.063 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1748824716 RZEGMBMCEBLNLA-OAHLLOKOSA-N 439.563 1.093 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748907556 WOVGPZREBDGGTK-SFHVURJKSA-N 428.537 1.851 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1748991206 SOSSLDDCJYQKSM-UHFFFAOYSA-N 427.574 1.894 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCCS(C)(=O)=O 1749054764 YMPUROFHDWIGFA-MAUKXSAKSA-N 445.611 1.095 30 10 IDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749629828 ADHJJRVRAYUYSP-UHFFFAOYSA-N 446.502 1.314 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749676053 CCKGYAVYZFDBHO-UHFFFAOYSA-N 449.563 1.012 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749771868 AIVBGFFQTFNLPE-JPYJTQIMSA-N 440.548 1.779 30 10 IDEE COCCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1749801997 GPTIMWFPHXYZHM-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE CC1=C(C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1751330442 IUMYDCUMESGABA-UDJKBAMHSA-N 425.493 1.302 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1760183314 OLKHDWWOFSACPB-OAHLLOKOSA-N 446.558 1.876 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1760187631 KSDJPQOHKVPLPU-MSOLQXFVSA-N 444.561 1.140 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)NC 1760241277 VCAHPGMUBWVCQN-UHFFFAOYSA-N 430.509 1.612 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCCC)CC1 1760267564 QUUVKGOOQPLSAS-UHFFFAOYSA-N 443.939 1.486 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760279545 FZZGGQKLHWDWQW-SFHVURJKSA-N 426.594 1.318 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760296623 UOPGPMRBQMAHAN-WIYYLYMNSA-N 428.562 1.680 30 10 IDEE C=C(Br)Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1760313642 CMDMNXWDZQYEPV-GOSISDBHSA-N 442.358 1.801 30 10 IDEE C=C(Br)Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760313919 HLEANKUWZLWXJE-MRXNPFEDSA-N 433.372 1.796 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1760355575 OQQWLLPKCXHBQI-AWEZNQCLSA-N 425.493 1.887 30 10 IDEE C=C(Cl)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OCC)CCOC1 1760387312 OBCVTJHFLRHBCN-IBGZPJMESA-N 438.916 1.203 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760440219 DXKIYDAJOPROGY-XMTFNYHQSA-N 439.582 1.438 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1760514953 PHFCWORYRYRKQJ-UHFFFAOYSA-N 441.923 1.904 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760519316 AFCKLALANGYQPR-UHFFFAOYSA-N 435.532 1.814 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1760520927 DRYAYKFSDNPCIQ-OALUTQOASA-N 437.548 1.242 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1760523414 XIYZDTUFWCFIOP-SFHVURJKSA-N 441.442 1.893 30 10 IDEE Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCNS(=O)(=O)Cc1ccon1 1762528758 BJAHSSXYUGWJTC-UHFFFAOYSA-N 441.517 1.735 30 10 IDEE CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1764736932 OFDGVFDITTWCFM-HTXNQAPBSA-N 438.492 1.687 30 10 IDEE CCn1nc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)N(C)C)c2ccccc2c1=O 1765579573 BWHOWCNSXLLKLT-UHFFFAOYSA-N 434.504 1.503 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCCC2)C[C@H]1O 1769452601 ZIBGVJQFGSRQIY-WOJBJXKFSA-N 438.532 1.663 30 10 IDEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770607114 RLDHBVAJBWBICS-INIZCTEOSA-N 426.550 1.576 30 10 IDEE COCCCN(C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1771042652 QTLBXHCMJJDFOD-HXUWFJFHSA-N 437.548 1.978 30 10 IDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873560924 BXPUBKHYVZWZCB-GJZGRUSLSA-N 426.521 1.568 30 10 IDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCOCCO)n2Cc1ccco1 1873599326 ZGGGDEFPEBDTEM-UHFFFAOYSA-N 425.489 1.990 30 10 IDEE O=C(N[C@H](C[S@@](=O)CC#CCO)C(=O)O)OCC1c2ccccc2-c2ccccc21 1883403623 XQKVTYYYBALETK-KEEVHDRGSA-N 427.478 1.723 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnn4c3OCCC4)CC2)CC1 1889324909 JFDYFNLSBAGPTA-UHFFFAOYSA-N 429.565 1.316 30 10 IDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC(C#CCN(C)C)CC3)ccc2n(CC)c1=O 1890773626 YCEQYCQSCAQLFO-UHFFFAOYSA-N 446.573 1.169 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cs1 1891272654 GCTQBDYARHTTAS-LBPRGKRZSA-N 430.486 1.611 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCO[C@]2(CCCN(C(=O)C(F)(F)F)C2)C1 2054335223 RDBOLTDXWBLRPC-LBPRGKRZSA-N 435.262 1.481 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cccc(C#CCO)c1F 2145935720 BUDGAUDNSNIIAO-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](C(=O)O)C1 2224098179 SATRJBWVAMDBGM-OAHLLOKOSA-N 433.314 1.891 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2243677318 UTYAMMUEBLFDAI-ZDUSSCGKSA-N 426.344 1.549 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCN(CC(=O)O)Cc2ccccc2)C1 2247551645 WUFWNERDBQILIO-UHFFFAOYSA-N 429.517 1.996 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2255612715 UZIKFQWSLBAAOL-HDJSIYSDSA-N 437.346 1.792 30 10 IDEE C[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255697101 DFLOIHWHEJRTPC-CQSZACIVSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255816152 ZRQZXOBORVFSEF-OAQYLSRUSA-N 436.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2255869162 XRYJMHSPNLMGEI-HNNXBMFYSA-N 430.314 1.753 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2267177192 KMCAGPFNPVWXNW-OAHLLOKOSA-N 446.357 1.991 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267268263 RUWXIAOHRKGQGZ-HZPDHXFCSA-N 447.341 1.481 30 10 IDEE Cn1ncc(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@@H]2C3)c1B1OC(C)(C)C(C)(C)O1 2267496548 BIMNNDSCIFGYBY-FPTDNZKUSA-N 446.357 1.849 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267588492 MNCWZWCFNKTHOH-CHWSQXEVSA-N 441.259 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268721156 HOTXBWNFJQGYIV-IXDOHACOSA-N 445.325 1.954 30 10 IDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 2271396518 YIBIOKOTQQFCBU-KBPBESRZSA-N 449.361 1.632 30 10 IDEE C=C(CNC(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2306862031 CNSRMSSOOVIPNU-UHFFFAOYSA-N 444.359 1.324 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(C)(NC(=O)OC(C)(C)C)C1 2315537454 VGGAASODUVHRRG-UHFFFAOYSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C(=O)C1 2319723798 GUBIECPNSWDUBF-HNNXBMFYSA-N 437.346 1.760 30 10 IDEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NCc2ccco2)n1 14157389 BZIAAVXWOYPPMA-UHFFFAOYSA-N 431.566 1.841 30 10 IDEE Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)o1 20834986 DFGRLACKOVRLEU-QGMBQPNBSA-N 435.491 1.530 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 29703239 KJTJKQHXMINZLO-OAQYLSRUSA-N 448.011 1.513 30 10 IDEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 33268721 PUPOXCWMJGHXOC-UHFFFAOYSA-N 434.496 1.707 30 10 IDEE CCOC(=O)/C=c1/s/c(=C/c2ccc(C#N)cc2)c(=O)n1CC(=O)N1CCCC[C@@H]1C 105499786 YRPGJWIBXGTEJV-UFHKABAQSA-N 439.537 1.355 30 10 IDEE C[C@H]1CN([C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)c2c(F)cccc2F)C[C@@H](C)O1 301309289 XLOJLSFJLOBDDJ-IIYDPXPESA-N 433.459 1.496 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1Cl 316047023 HMVBNXKCWHSIQA-NSHDSACASA-N 426.741 1.914 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Br)c1 320030944 HNDKFCGEENYMTB-SNVBAGLBSA-N 426.741 1.914 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 443344763 PYEHYAYCKTVJLF-UHFFFAOYSA-N 434.518 1.092 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cn(-c3ccc(OC)cc3)nn2)c1 447128388 NGYOVEIMHBEKNC-UHFFFAOYSA-N 427.486 1.670 30 10 IDEE COc1cc(OC)c(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c1 480514686 MZEIEKVZJBONPG-CYBMUJFWSA-N 433.486 1.567 30 10 IDEE N#CC1(NC(=O)CCNS(=O)(=O)c2cccnc2)CCN(Cc2ccccc2)CC1 482572363 DZVYQLUKHOKRIB-UHFFFAOYSA-N 427.530 1.425 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@@H](O)COc2ccccc2Br)cc1C#N 489703227 YNXZDXNVXCOVLD-CYBMUJFWSA-N 426.292 1.742 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)CC2)n1 514966932 SPLKCBLWTSRGRZ-UHFFFAOYSA-N 440.525 1.625 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CC2)o1 527241104 IQQYAVZVYGHFDF-UHFFFAOYSA-N 425.493 1.965 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCOC1 532755966 PEDCDRVMNIHBGC-CYBMUJFWSA-N 425.535 1.752 30 10 IDEE CCOc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCCC1 538404097 RYQATWRQGRDDJU-AWEZNQCLSA-N 432.506 1.923 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCn2nnc(Cc3cccc(Br)c3)n2)nc1 572680717 XOCSQZKITCSVCO-UHFFFAOYSA-N 433.291 1.767 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cn1 609641119 UKSYXUYSBAFJJA-UHFFFAOYSA-N 441.332 1.924 30 10 IDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 610423876 GIJDTQJJJJBXBI-UHFFFAOYSA-N 432.506 1.401 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669804662 WZELHDUDSFDFDV-LAUBAEHRSA-N 440.596 1.705 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1ccccc1 729669505 PZPLOPXZHUJUMF-HNNXBMFYSA-N 429.505 1.416 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CCCCC1 760400203 HZPNOAHBYAIEAD-UHFFFAOYSA-N 425.532 1.760 30 10 IDEE N#CCCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 776115893 XMTGGUZJXMVGQJ-UHFFFAOYSA-N 433.939 1.490 30 10 IDEE N#CC1(c2ccc(C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 777173951 XJFADIHQYAZQPN-MOPGFXCFSA-N 446.525 1.593 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 780827515 HJCPBUGQUNAFJO-ZJYNUGOYSA-N 439.451 1.225 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)c1cccc(F)c1C#N)CC2 781602366 STINVPROVZLLFX-UHFFFAOYSA-N 433.461 1.578 30 10 IDEE CN1C(=C2C(=N)N([C@@H]3CCCN(Cc4nccn4C)C3=O)CC2=O)N(C)c2ccccc21 782887976 QYIJFONKGQJAEL-QGZVFWFLSA-N 433.516 1.571 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)n1 788567414 BPXOZCUBSPYNRJ-UHFFFAOYSA-N 444.923 1.786 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 788816115 ZSCJWLJVKOOROJ-UHFFFAOYSA-N 444.557 1.980 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CN3c4cccc5cccc(c45)S3(=O)=O)CC2)cn1 801286664 MOUXANNQSLYNLX-UHFFFAOYSA-N 433.493 1.964 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)n2)csc1=Nc1ccccc1C#N 803182045 SSEMZKYNEUQTJI-UHFFFAOYSA-N 431.547 1.779 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 809890113 UBWGZEBUELSXMF-HZPDHXFCSA-N 434.541 1.735 30 10 IDEE C#CCONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 812780992 DERYADBXANECNR-UHFFFAOYSA-N 434.518 1.081 30 10 IDEE C#C[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 1131256700 FFKHZLBABKGNPE-MOPGFXCFSA-N 435.502 1.683 30 10 IDEE CS(=O)(=O)c1ccc(NCCNC(=O)C(=O)/C=C\c2ccc(F)cc2)c([N+](=O)[O-])c1 1136035740 CPXBFPQANIZUHI-WTKPLQERSA-N 435.433 1.948 30 10 IDEE CC(C)(C)OC(=O)NCCCSCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156675218 DNHQGRWQBVUQMN-KSSFIOAISA-N 431.580 1.421 30 10 IDEE N#Cc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CCC2)cc1 1163512446 ODLSPUZNHGGABG-MRXNPFEDSA-N 438.509 1.754 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H](CO)c3ccc(F)cc3F)C2=O)cc1 1167611453 QXIMWTWRXDPYTH-ZWKOTPCHSA-N 428.395 1.891 30 10 IDEE N#Cc1cn(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(=O)c2sccc12 1189929850 IXWCQIXCMAFQEU-UHFFFAOYSA-N 436.493 1.723 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(S(=O)(=O)CC(C)(C)C#N)CC2)cc1 1190966524 GAAAPKNMSHZRLP-UHFFFAOYSA-N 433.577 1.347 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1286281380 FXGNFSYLTZRKKI-DLBZAZTESA-N 441.532 1.915 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286337054 VHNFNIYDUTXCHQ-NRFANRHFSA-N 430.578 1.958 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1286397774 URUZWEOQVBWHDM-IBGZPJMESA-N 448.593 1.651 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnnn1C 1286408741 KQLUNWPZUZOYNG-UHFFFAOYSA-N 441.499 1.315 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1286409565 RIJRZJDXEAMXPN-GOSISDBHSA-N 446.511 1.553 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1286422626 NFVQAZHMTOEHHT-DENIHFKCSA-N 448.589 1.606 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286438470 ZJHCQYDNRNLGEI-YLJYHZDGSA-N 439.582 1.202 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286503140 AKZHSHZNVPXXGX-GOSISDBHSA-N 426.546 1.534 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286544496 XHCWLPCPWFYXBT-GOSISDBHSA-N 437.342 1.954 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COC)cc1 1286727636 VZIYOYKKCSXJRM-SFHVURJKSA-N 435.550 1.428 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1286764868 CSNRAAZGADEQDR-CQSZACIVSA-N 437.342 1.964 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1286788360 VHTRBDIQYJODAJ-SFHVURJKSA-N 440.548 1.810 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286791176 OSVRSBOVAROEBX-OAQYLSRUSA-N 430.940 1.787 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286832327 JYQGHBCFMJPISH-VLIAUNLRSA-N 434.566 1.516 30 10 IDEE C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1288608099 VJJKKQMYMKJQQO-YJBOKZPZSA-N 427.465 1.303 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(C(=O)N(C)C)CCCC1 1288772995 HABOKHDEKSSYIR-GJZGRUSLSA-N 439.586 1.275 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCc2nccn2C1 1288819541 VNXYQCQSYQTAHP-WBVHZDCISA-N 446.581 1.477 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cn(C2COC2)nn1 1300479395 NMTLNHBVKGYBMW-GASCZTMLSA-N 442.524 1.329 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1300481823 BPCPTCLQBYQLNA-HNNXBMFYSA-N 435.525 1.815 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1300578927 QDOGCTWDSXIBQW-LJQANCHMSA-N 440.569 1.919 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCOCC2)c1 1300631240 OIAVTYONLXPZLV-IBGZPJMESA-N 443.573 1.525 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C)n2)CC1 1300721923 DFIRXYMGCRWJOL-LJQANCHMSA-N 435.532 1.141 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1301095364 FQMZOPUGHAYSEW-UHFFFAOYSA-N 445.545 1.946 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1301819272 UENICQQTKSMSTG-FQEVSTJZSA-N 425.537 1.500 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1302055796 WQAYCRLUNLVPST-QVKFZJNVSA-N 427.509 1.674 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)c2ccc(Br)cc2)CC1 1302923936 FWTSCAIBXIGEIB-MRXNPFEDSA-N 428.352 1.555 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c1 1303385352 CMRQSMUFLUNCOJ-AQNXPRMDSA-N 446.569 1.756 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1303474488 BETHBDUXLZRLIK-UZLBHIALSA-N 439.582 1.882 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1303557481 SFOIHGXJMVCMHV-KRWDZBQOSA-N 435.546 1.120 30 10 IDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1309403615 WTAULNRGHRSMJO-OALUTQOASA-N 443.587 1.803 30 10 IDEE CC(C)n1c(S)nnc1CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1312627665 XFCCFNHFLJZIEM-INIZCTEOSA-N 427.534 1.662 30 10 IDEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)N1CCSCC1 1314338405 GQENDTZLYIKKSB-UHFFFAOYSA-N 442.611 1.323 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1314944038 IALMVMXHBMVBPD-KRWDZBQOSA-N 426.521 1.974 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1 1354819613 XQRBSKRYRJWENQ-HKOYGPOVSA-N 444.517 1.378 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358873660 MBCJQGLFSWTOSL-MBSDFSHPSA-N 440.548 1.668 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358939768 FGTWMKDZURHXMN-XXBNENTESA-N 446.596 1.331 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1359044014 RJZJHQQAFXHWMN-IAGOWNOFSA-N 437.548 1.905 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1359202832 CNDLYCBGJYFZCG-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@]2(CC=CCC2)C1 1359300990 OGFAGVAKQCGFPB-UWJYYQICSA-N 433.578 1.809 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CCOC)[C@H](C)C1 1359301938 QHMLDHRVVOUPEB-QGZVFWFLSA-N 430.528 1.467 30 10 IDEE N#Cc1cn(CC(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c(=O)nc1O 1444161137 BZRQAWVKWMQESY-UHFFFAOYSA-N 433.827 1.490 30 10 IDEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1463199726 RGBBXBNYMOJPSE-IBGZPJMESA-N 443.481 1.627 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)n[nH]2)c1C 1464550227 ZYIMXAWYXVDPDP-UHFFFAOYSA-N 434.504 1.532 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CC1 1466318872 UKGVOSQIWXRBTI-UHFFFAOYSA-N 438.403 1.384 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1466509313 IAXSYJWAHFPNNL-KBPBESRZSA-N 437.497 1.455 30 10 IDEE C=CC[C@H](NC(=O)c1ccc(I)cc1-n1cnnn1)C(=O)OCC 1466783004 DQAWYOGCXIMKTE-LBPRGKRZSA-N 441.229 1.505 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)C2)nc1 1471984150 PXMQVSYBKFOPAY-INIZCTEOSA-N 429.502 1.473 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1503577323 DZEIGVMTVXQPIJ-UHFFFAOYSA-N 432.488 1.144 30 10 IDEE COCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505050785 DIKZTBFIXHSBNN-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)c(OC)c(OC)c1 1507600621 IAJRMOQJCLAUMN-ZDUSSCGKSA-N 437.522 1.032 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCN(CC)CC1 1507636692 CJKOXAOLKNSOIG-UHFFFAOYSA-N 425.581 1.005 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCOCC1 1507643936 WRQHYFINKGGYHS-UHFFFAOYSA-N 431.338 1.831 30 10 IDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507755003 IUEHTLRTVXFRNG-UHFFFAOYSA-N 433.603 1.511 30 10 IDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCNS(C)(=O)=O)CC1 1507879703 VITRDEJQHAWCCI-UHFFFAOYSA-N 433.534 1.812 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](OC)C2)nnc1[C@]1(OCC)CCOC1 1508149414 UNWYADQLFPTQNL-LPHOPBHVSA-N 428.555 1.146 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC(=O)N1 1513020427 OYMAKDXPTKTOPS-GOEBONIOSA-N 425.541 1.310 30 10 IDEE CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)O1 1513547593 LPGOVBKNGUVGKE-FUHIMQAGSA-N 439.582 1.894 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539213446 ZNXGJUPZNTVZNI-IBGZPJMESA-N 427.530 1.868 30 10 IDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539752567 RTGBIXMBVFRECY-UHFFFAOYSA-N 434.566 1.375 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1540041844 FMPQAVKQCKRHPP-UWJYYQICSA-N 434.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1540873243 RZKABVKDXQFUCS-UHFFFAOYSA-N 443.515 1.159 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCN(C(C)C)CC2)C1 1540881932 XKLBKCLDSNFYIO-LJQANCHMSA-N 446.596 1.531 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C)CC1 1541088236 BPGUEHKQJOGYQZ-UHFFFAOYSA-N 445.531 1.768 30 10 IDEE CC(=O)NCCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1541088289 CPFULADTGQPLET-AWEZNQCLSA-N 433.310 1.963 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1541104748 BAQNJTHOPMBOTA-HUUCEWRRSA-N 448.549 1.578 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C 1544338262 DCACAWIVAAPNJN-XFQAVAEZSA-N 429.546 1.849 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1548293748 PMGMFWFBWMZDQF-UHFFFAOYSA-N 447.561 1.619 30 10 IDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)Cn1nc(C)cc1C 1548369171 HEQBCKFGYOWJFA-SFHVURJKSA-N 448.449 1.854 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1554689047 CEJCOFTYMZWKBN-FMZSFSCUSA-N 444.536 1.704 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](C3CCOCC3)C3(CO)CCC3)C2=O)cc1 1564690797 YDHIZFJLEXPDDO-RTWAWAEBSA-N 440.544 1.916 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1583488630 FWWFJYAFLWWKKZ-NVXWUHKLSA-N 427.320 1.716 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587773812 VRRDDEXIDPZXBR-UHFFFAOYSA-N 437.548 1.241 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1588051139 ZWEFESQORDEYHC-FIKGOQFSSA-N 444.561 1.710 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1588065388 XWTAMJCSJVFKHM-UXHICEINSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C(C)C 1588200535 UIVHWZOXQZQLOD-UHFFFAOYSA-N 445.531 1.546 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1588385922 MJOKTHYRYRGEQX-INIZCTEOSA-N 425.518 1.269 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588595523 VVAWZYATAMKNSN-KRWDZBQOSA-N 447.561 1.321 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2=CCCOC2)n1 1588724273 WLXDNJDPAHYEFH-LJQANCHMSA-N 426.521 1.611 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC(=O)N2)CC1 1588913803 QVCUMAALZGDFQE-MRXNPFEDSA-N 440.935 1.843 30 10 IDEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCNS(C)(=O)=O 1589347239 KMGKIVXGOWGYKU-UHFFFAOYSA-N 449.762 1.888 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1589483230 NLNZTPJLAQJMBS-XHSDSOJGSA-N 427.571 1.267 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1593695009 BIALNFWCLXNCGU-INIZCTEOSA-N 428.493 1.908 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595556160 PPSXSIBGKBUSSY-NVXWUHKLSA-N 428.924 1.539 30 10 IDEE C[C@H](C(=O)Nc1ncc2c(c1C#N)COCC2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1598021064 SUMZYMWEXAXLKL-CYBMUJFWSA-N 429.477 1.432 30 10 IDEE Cn1nc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C(F)(F)F 1616988471 ZESBFZGTCMHBBF-CQSZACIVSA-N 434.378 1.832 30 10 IDEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1619267931 CDTOOUSIQNLDTE-KRWDZBQOSA-N 426.477 1.308 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCC[C@H]1C 1620018254 BRHDVOXLAAEFEL-QWFCFKBJSA-N 431.585 1.663 30 10 IDEE CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1622426682 GJAKTMHVPHUEOU-UHFFFAOYSA-N 448.570 1.804 30 10 IDEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)nc2n1CCOC2 1623343660 GFPNFLSYRMDAKY-JYRVWZFOSA-N 441.513 1.936 30 10 IDEE CN(C)C(=O)C1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCCC1 1627913101 PEWUPVXQVZZBGF-KRWDZBQOSA-N 425.489 1.671 30 10 IDEE C#CCN1CCN(C(=O)CN2Cc3cccc(Br)c3C[C@H]2C(=O)OC)CC1 1643224618 MMQJOTHIOSKUNI-SFHVURJKSA-N 434.334 1.126 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC1 1644281521 DMMMBVMFEKNJJT-UHFFFAOYSA-N 425.938 1.000 30 10 IDEE O=C(CN1C(=O)NC2(CCCCC2)C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221381 YZANAVUDLKKNII-UHFFFAOYSA-N 428.445 1.145 30 10 IDEE CC(=O)N1CCc2cc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)c(Cl)cc21 1667040769 CZGJPEYMPMWKJZ-UHFFFAOYSA-N 440.953 1.486 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1676929698 CJXCGEZCYUQODS-UHFFFAOYSA-N 433.361 1.574 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1689852097 ADGFYGVZAGAHGB-QAPCUYQASA-N 431.518 1.284 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1689947420 GKOYDDGUWUOEMB-NRFANRHFSA-N 447.561 1.278 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689984885 XMHMEKKIBWPHIJ-ZBFHGGJFSA-N 437.953 1.903 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1690363996 GVTAZHHFSPXOGI-CABCVRRESA-N 442.586 1.958 30 10 IDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1690678980 HEBYJDNYBIHKGY-UHFFFAOYSA-N 440.548 1.180 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)C(=O)C1 1690719283 KAVFSPYLMGNWKI-UHFFFAOYSA-N 435.550 1.752 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CCO1 1690957952 MYHJECJJESMAJU-KRWDZBQOSA-N 434.447 1.787 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O)S(C)(=O)=O 1691017096 YQGDPXQJCBRFIT-WIEQDCTASA-N 444.561 1.553 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 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441.517 1.155 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703716 FPPHLVLDPUIPBC-VXKWHMMOSA-N 433.553 1.628 30 10 IDEE C=CCNC(=O)Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 1722704126 OIZLJHXEOZCFFP-QGZVFWFLSA-N 445.589 1.920 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1728664517 HSITYZJBUUEWHN-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CNC(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1729722654 WLOYIQWZZBYRLG-LSDHHAIUSA-N 435.529 1.318 30 10 IDEE COC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729806243 AOFFIOBVZFAJGE-KRWDZBQOSA-N 441.511 1.992 30 10 IDEE C#CCN(c1nnc(C)n1CC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740617209 NWNIQDZNVJWMBN-SFHVURJKSA-N 449.577 1.780 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740620965 ITEVCSLXKVOFSA-HIFRSBDPSA-N 445.467 1.867 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740628669 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IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)CCOC)CC1 1749008506 ABAIKFGFWBHNBJ-UHFFFAOYSA-N 425.537 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)F)CC1 1749009491 JOSYVGIONVRAMV-MRXNPFEDSA-N 425.480 1.420 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1749209350 UYEQJXCCDSZYLX-VJANTYMQSA-N 435.569 1.946 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCOC[C@H]1C 1749466884 AZXUIAVTKNCWBX-MRXNPFEDSA-N 447.609 1.890 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCCC[C@@H]2C1 1749655743 QTHCYMPUWLZWPH-GOSISDBHSA-N 425.493 1.830 30 10 IDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749670277 JFLGIGAILJJBHJ-GOSISDBHSA-N 441.511 1.993 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749677016 KVWMMZDOZXXUSJ-WOJBJXKFSA-N 430.597 1.860 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1749719607 YAIUZBFXZBKQIW-FDDCHVKYSA-N 443.548 1.714 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760180911 MZBSOSBEMMOFAC-CJNGLKHVSA-N 436.456 1.119 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760186153 AZKBXJOMYUFUKX-IAGOWNOFSA-N 449.577 1.063 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC(C)C 1760239117 XDEXLYRMPAMBPK-IAGOWNOFSA-N 425.599 1.984 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1760260107 VZVSSICIVYENIM-JCOAXYOVSA-N 441.601 1.854 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCCCO)CC1 1760260412 RDKIRWFWHKJHIT-UHFFFAOYSA-N 436.516 1.754 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760553710 YPMBBKQENMSXGS-IBGZPJMESA-N 445.589 1.704 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1762033600 BDEIYDZZPJBIGG-WAIKUNEKSA-N 435.532 1.980 30 10 IDEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCOCC(F)F)C2 1762479496 QHFKJQLZSQOISS-UHFFFAOYSA-N 444.446 1.931 30 10 IDEE CCCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766258272 WWQWMNKRGMCLDN-MRXNPFEDSA-N 443.502 1.850 30 10 IDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1=O 1767082297 AILQXEXITWALRZ-UHFFFAOYSA-N 447.499 1.785 30 10 IDEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CCOC1 1769782313 MYUDJELBXBBIMI-GTCCEBARSA-N 427.505 1.741 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1 1770359656 VMLFOXHCKPCWON-GOSISDBHSA-N 440.932 1.904 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1770643293 GWDFXYDKRSXGBC-RJNPEMNYSA-N 425.468 1.585 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(-c3cccs3)n(C)n2)C1=O 1854192567 AOXMLZJIGGBSES-HOTGVXAUSA-N 427.530 1.608 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N[C@H]3CCN(C(=O)c4cccc(C#N)c4)C3)ccc21 1858298230 IQBVXMMPFWIZEO-HNNXBMFYSA-N 426.454 1.196 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 1889619471 RABVCPSYWQXXSX-UHFFFAOYSA-N 445.629 1.986 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243685056 MNPQZEDAJZUBSD-NSHDSACASA-N 426.348 1.749 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](C)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 2247572064 QZJYVTQKTZFSRJ-VEBLATHCSA-N 437.537 1.780 30 10 IDEE Cc1csc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2248406233 ZZBVPQHVASTUOX-CYBMUJFWSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2255631938 GNTCSGQILJZQGY-OKILXGFUSA-N 432.330 1.648 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632476 NLBNHWVBYKKPKE-UHFFFAOYSA-N 438.334 1.370 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255826683 RCRVKHNWKFIBFM-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256601802 UCSXBZGFJLPURS-OAHLLOKOSA-N 433.314 1.955 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2257591071 URLPTQSIYISTDB-CQSZACIVSA-N 438.330 1.927 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2267113327 RXMPDISCTZGNNK-CYBMUJFWSA-N 447.345 1.244 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H](C2)C3NC(=O)OC(C)(C)C)n1 2267113740 YLJKJKDRHRSCPN-PBWFPOADSA-N 447.345 1.100 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)NCc1ccc(C#N)cc1)NC(=O)OCc1ccccc1 2286031375 NZGJVQBPRVHIPF-GOSISDBHSA-N 431.470 1.446 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)nn1 2319675614 WRWYOMKWZOJPQV-CQSZACIVSA-N 435.334 1.998 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(C(=O)O)cc1 2330784310 MRKMPMRBGLXHFT-UHFFFAOYSA-N 433.490 1.786 30 10 IDEE Cn1cc(C(=O)N=c2[nH][nH]cc2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2352398695 WQTAYTHAEOHNQW-UHFFFAOYSA-N 446.317 1.141 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 21936348 ZWKRPEVCSIOADO-UHFFFAOYSA-N 429.542 1.913 30 10 IDEE O=C1CCCC(=O)N1CCS(=O)(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1 96352614 BXDUHKNRHSZFIG-UHFFFAOYSA-N 431.514 1.014 30 10 IDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CCC(=O)OCC)C2=O)cc1 96573477 UJFYYJKTALHSGU-QFIPXVFZSA-N 431.489 1.820 30 10 IDEE CNC(=O)CCOC1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433878371 PWNRFSOINKQDLO-UHFFFAOYSA-N 430.324 1.627 30 10 IDEE N#Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccn1 475450640 WRYWGEIHDJMFNZ-UHFFFAOYSA-N 428.470 1.261 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCOc3ccc(S(N)(=O)=O)cc3)cc2C1=O 481231188 QSCVKJHTDQJSJW-UHFFFAOYSA-N 443.481 1.267 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 508797564 ZZPLJNPGYCOPBT-OAQYLSRUSA-N 437.592 1.934 30 10 IDEE CS(=O)(=O)c1ccc(OCCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 520696882 UXFOHKAUISLOLA-UHFFFAOYSA-N 429.502 1.267 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 521423577 QZWCRBQBAUJNST-UHFFFAOYSA-N 449.330 1.838 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(C)cc3)c2=O)c1 540696463 OFLVMDBCKIEWHN-UHFFFAOYSA-N 448.548 1.947 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542220034 KRWSRTSPPDORMI-UHFFFAOYSA-N 439.566 1.762 30 10 IDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c1C 546672568 DLZRBRUJEKOCCR-QGZVFWFLSA-N 430.534 1.478 30 10 IDEE CCOC(=O)c1sc([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc1C 564504737 LJVNUIWNRNUFSB-LBPRGKRZSA-N 436.515 1.656 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c(C)c1 603801176 ZFILSMOUIUDLMZ-SFHVURJKSA-N 425.554 1.733 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1 608889862 LQOPKFBCRBUOPT-UHFFFAOYSA-N 428.290 1.794 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1cccs1 729670486 TXZKRXAVBVVLHR-UHFFFAOYSA-N 449.561 1.695 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccccn2)cn1 730144840 RWYZNGLBYZFXTG-QGZVFWFLSA-N 442.545 1.685 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@@H]1CN1CCOCC1 732127367 INISSFCYEJRBHM-QGZVFWFLSA-N 434.562 1.219 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CCN1C1CC1 732673784 FNFMRIJSHCRIMZ-PMACEKPBSA-N 441.532 1.242 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 734078253 VGRMAAQSEIEMEC-JOCHJYFZSA-N 433.512 1.698 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3CC)c2=O)cn1 735069373 SVHKBXBZEDPODC-UHFFFAOYSA-N 447.564 1.850 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1 741972553 XOUDHNQTTSFRLY-HEEFDWFXSA-N 432.480 1.857 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cc(I)ccc1O 759711051 YMAOBJIQAOXZSF-PFONDFGASA-N 427.198 1.852 30 10 IDEE COc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCC(=O)Nc1ccccc1Cl 765596286 VIORKXBRUWULTO-UHFFFAOYSA-N 429.820 1.302 30 10 IDEE C#CCN(C(=O)N[C@H](c1cc(OC)cc(OC)c1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774151776 CHGQOQPVGNVCFI-VQIMIIECSA-N 446.529 1.359 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1C#N 774866648 XJBXTPKGGPDSKZ-FQEVSTJZSA-N 440.475 1.512 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 790487397 UGEFIKRSHDCNBZ-RYQLBKOJSA-N 445.495 1.985 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)Cn3ncc4ccccc43)CC2)o1 792852896 NOGLGLUBLBDYKP-OAHLLOKOSA-N 436.472 1.733 30 10 IDEE C#CCN(CC(=O)NC(=O)NCc1cccs1)CC(=O)NC(=O)NCc1cccs1 914865869 BFYDMHJCWAOPFE-UHFFFAOYSA-N 447.542 1.097 30 10 IDEE COc1cc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)ccc1C#N 1133631196 SZZYUYVGJLKDRF-MRXNPFEDSA-N 437.518 1.721 30 10 IDEE C#C[C@@H](CO)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1141495853 JMGUQIVLFHTOSY-ALFJJAPYSA-N 425.329 1.761 30 10 IDEE Cn1nccc1[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C 1144749687 QMUWPCVPAXQGPK-GOSISDBHSA-N 432.502 1.406 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1S(=O)(=O)NCC#N 1158288071 JPLOZOMVCPANRI-AOIWGVFYSA-N 445.545 1.921 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F 1185754727 XGCBUTZICQZZIS-NSHDSACASA-N 426.438 1.551 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)NCCn1cnc(C#N)n1)Cc1ccccc1 1248553197 PUBMNIIYVOWNKG-KRWDZBQOSA-N 427.509 1.975 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1286396666 WZEMHIWEVQVWDA-SFHVURJKSA-N 443.529 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CC1 1286432694 UJPKLGXPPZTBRN-LJAQVGFWSA-N 429.571 1.644 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286435433 APFHZTXSAMDGJN-ROUUACIJSA-N 425.537 1.884 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1noc2c1CCCC2 1286461157 NTXGWGNLASBRAY-UHFFFAOYSA-N 435.488 1.927 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1286485165 WPUXBTBTLNYSSA-UHFFFAOYSA-N 443.573 1.498 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1286773736 QXJZTMWFQAFNNA-GOSISDBHSA-N 433.578 1.933 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1286777852 NJMLCTFJYFLJIY-FDDCHVKYSA-N 446.596 1.686 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCOCC2)C1 1286811724 FDTAMJGAZRLLSV-IBGZPJMESA-N 443.552 1.170 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CCOC)[C@H](CC)C2)nnc1C(C)(C)C 1286825214 NZAOKYCCECKHMP-QGZVFWFLSA-N 427.615 1.723 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccc(C(F)F)n2)CCOC1 1288321981 NJXOSQDVPUOSTD-JLTOFOAXSA-N 449.462 1.823 30 10 IDEE Cc1c(NC(=O)CSCC(=O)N2CCO[C@@](C)(C#N)C2)c(=O)n(-c2ccccc2)n1C 1289339254 MVNHSNBHDBSEHS-NRFANRHFSA-N 443.529 1.297 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@@H](COC(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1291666716 BXUTYBODQZVGJZ-OOADYSHXSA-N 446.552 1.948 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCN(C)C)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1294386552 DGAXXJHTULZFDF-MRXNPFEDSA-N 434.566 1.267 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1296615549 XFKACLIRWKZMAK-APWZRJJASA-N 435.506 1.066 30 10 IDEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1=O 1300155153 GQIGXMHADQGZFI-GMAHTHKFSA-N 437.588 1.972 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1300491909 JOVRVIXBICVMGK-HRAATJIYSA-N 444.561 1.303 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1300573707 LNPCIIIJIZVOPM-GOSISDBHSA-N 436.472 1.516 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccccc2)CC1 1300682621 PQPQHHWCYLLHAQ-UHFFFAOYSA-N 431.500 1.760 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CCOCC2)CC1 1300719458 BTEAFWKMZRHMTP-GOSISDBHSA-N 437.548 1.027 30 10 IDEE C=C(Br)Cn1c(C)nnc1N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1300830062 CVWONQJWZRWHER-UHFFFAOYSA-N 449.419 1.984 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1301050664 DAOMTCAPVULFLO-AWEZNQCLSA-N 434.932 1.728 30 10 IDEE C=CCn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1301452840 WNWXERQQRRBJTR-OAGGEKHMSA-N 437.566 1.858 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1301492801 ODJYZJNLGJBNHB-DLBZAZTESA-N 440.548 1.937 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301588761 IYPJDIJTNDIKBG-KZNAEPCWSA-N 440.566 1.157 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301612672 OUHWEWQRSLTFRT-RTBURBONSA-N 448.637 1.834 30 10 IDEE C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1302505113 GDNYDQDJRIGMFP-HZAQMHFWSA-N 427.534 1.967 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)S1 1305174668 JZLYNQJJMYNANB-IKIUHSPNSA-N 445.549 1.086 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@H]3CCN(c4ccccc4Cl)C3)C2)c(=O)nc1O 1312993136 SWKGKWXGLKELJT-CYBMUJFWSA-N 428.880 1.567 30 10 IDEE CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1316361188 FSXWOQFIDQENGL-UHFFFAOYSA-N 447.540 1.117 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1358885902 TYOWCURVFMYEOD-QMHKHESXSA-N 436.516 1.938 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1358949169 UNRYLOFGJKQZKI-CYBMUJFWSA-N 447.508 1.410 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1359001891 GQDKHJDYAJZQCB-PGRDOPGGSA-N 428.537 1.790 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCOC[C@H]1C 1359007198 ZJXBFIHIQLJUMB-QGZVFWFLSA-N 445.593 1.418 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1359010100 GPTWXCWJPURUIH-LSDHHAIUSA-N 431.509 1.506 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)C(=O)NC)C1 1359312096 NNBFUBUELGAINK-HNNXBMFYSA-N 427.509 1.479 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1359368165 DCOOXVSCONSFAL-GOSISDBHSA-N 442.545 1.310 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C2[C@@H]3CCC[C@@H]23)n1CCN/C(O)=C1/N=CC=CC1=O 1360163639 LGKQTBGHAREWFY-YVHOPFRJSA-N 427.509 1.177 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3(CS(C)(=O)=O)COC3)c2)c1 1440873060 WLNVAKTVHDIFJP-UHFFFAOYSA-N 427.478 1.873 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CC)CC1CCN(c2ccccn2)CC1)c1cc[nH]n1 1444797320 CUIPYBZZRXJZFV-UHFFFAOYSA-N 442.520 1.854 30 10 IDEE 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CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@H]1CCSC1 1503411969 CYYKEYKRDNZPQU-KRWDZBQOSA-N 432.575 1.794 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1504613244 KSYFGNPMJGBOOK-JENIJYKNSA-N 442.495 1.770 30 10 IDEE COCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1504919139 YNWFWHKZJXSQBE-QQMHEVNUSA-N 443.552 1.229 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1507642119 GURIXVZCHACESQ-YWZLYKJASA-N 447.586 1.511 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1507690643 UQJQRTUCBGHMCZ-KWMCUTETSA-N 434.587 1.567 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2COCCO2)CC1 1507731872 DLZWIPFFKJEIDE-SFHVURJKSA-N 427.505 1.036 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507752848 AJXMFVCLGXILRD-DLBZAZTESA-N 430.578 1.338 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1507760756 GIDXNHRBTHLJRY-PKTZIBPZSA-N 445.564 1.560 30 10 IDEE 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433.578 1.707 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1588054977 QVQKOAIVTRQJAU-IAGOWNOFSA-N 448.549 1.471 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)nc2)CC1 1588876994 QHMYVXOCOLDNLA-FPOVZHCZSA-N 439.564 1.267 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CC)OC)CC1 1588890656 CXAFCQXCFOJFCN-AUSIDOKSSA-N 447.580 1.710 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593747243 SHIBOZHKYSRJGV-RTBURBONSA-N 432.569 1.118 30 10 IDEE C=CCCC[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)C(=O)OC 1596245519 ZMBXKJVCCCKACX-CYBMUJFWSA-N 426.520 1.910 30 10 IDEE CC(C)CSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1607824856 RBMRICRQROPUDN-CVEARBPZSA-N 444.627 1.596 30 10 IDEE C[C@H]1COCCN1CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1613013261 VWBZDBXDQSOZLN-HNNXBMFYSA-N 425.537 1.831 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1617696948 JGLYAUSSNILAQV-UHFFFAOYSA-N 433.507 1.782 30 10 IDEE 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1.878 30 10 IDEE CC(=O)N[C@@](C)(C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1639961752 HDYBCHQCTJPFRA-RBBKRZOGSA-N 443.525 1.505 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ncccn2)CC1 1640968714 FVULIEZTIVIPEU-SFHVURJKSA-N 432.569 1.964 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCC1 1643011534 HLTQRDMSRYBLCK-HNNXBMFYSA-N 447.966 1.232 30 10 IDEE C=CCn1ncc2ccc(NC(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc21 1648046427 YFTHGGMWPLXLJV-UHFFFAOYSA-N 448.526 1.543 30 10 IDEE CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648499451 AGOHIYNOEFMCFA-FHSNZYRGSA-N 425.532 1.430 30 10 IDEE CC(C)[C@@H](CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)NC(=O)OC(C)(C)C 1648934188 RFICXICWEAFFPM-QGZVFWFLSA-N 438.550 1.892 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1=O 1652960472 UUOIAXNRPOVRMY-NRFANRHFSA-N 430.464 1.048 30 10 IDEE CNC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1654098171 YDHZHCFXEVQLAP-KSSFIOAISA-N 443.495 1.457 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 1654882536 YURPAYHEUZMCBN-UHFFFAOYSA-N 425.576 1.612 30 10 IDEE C[C@H](NC(=O)CNC(=O)CN1CCN(c2ccc(F)cc2C#N)CC1)c1ccc(F)cc1 1655357570 HIFDROMFQHBTJW-INIZCTEOSA-N 441.482 1.952 30 10 IDEE Cn1ncc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1Br 1661242478 HZQNSTUCUAEUES-UHFFFAOYSA-N 428.287 1.704 30 10 IDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)ccc1Cl 1669479195 DMEQPQCCPSQOQZ-UHFFFAOYSA-N 440.934 1.521 30 10 IDEE C[C@@H]1C[C@H](CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN1Cc1ccccc1 1680697977 VQYKHKDRPFELDX-IWLVTHKOSA-N 430.574 1.867 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1689873276 CPSWSWHLGLUAGK-LJQANCHMSA-N 441.580 1.900 30 10 IDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689876938 MVKPYFWDZSKSHX-INIZCTEOSA-N 432.525 1.326 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1689980390 QWSIFFDEBGGCEN-SJLPKXTDSA-N 448.545 1.383 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689989094 BDXFSSMZDNDNLE-AQNXPRMDSA-N 444.557 1.796 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1690019583 MNNQKZOVICFVFA-UXHICEINSA-N 431.606 1.621 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCN1CCN(C(C)=O)CC1 1690193809 SIPPVDJBBAVNBK-PGRDOPGGSA-N 432.569 1.158 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccnn2)CC1 1690228056 MJXPBDBROKPSNH-ZDUSSCGKSA-N 433.314 1.254 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)CN1CCOCC1 1690485046 KFFCYWQVGSNOMQ-SFHVURJKSA-N 439.626 1.941 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690673004 KOSBUTMDPDOSHP-KRWDZBQOSA-N 425.537 1.259 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CC2)C1 1690699479 FTVHBFCVIAJNMP-IAGOWNOFSA-N 439.582 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(C)(OC)C1 1690722447 JRNVTKJVEQISHO-UHFFFAOYSA-N 442.545 1.957 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1693886163 ZIQVNGYLKJPZIR-VFIVLBOOSA-N 427.505 1.476 30 10 IDEE CCc1nnc(N(C)Cc2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1694634706 CVIJUCIPFWQRIM-UHFFFAOYSA-N 434.591 1.727 30 10 IDEE CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC#N)CC1 1695872821 DVMNAEABLUEABK-UYAOXDASSA-N 427.601 1.904 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CC3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1696042083 QFVDELKAHOFAEX-OEAGWNGGSA-N 444.536 1.693 30 10 IDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCCCC1 1697224612 HBAFWSPEQFOHGQ-RHSMWYFYSA-N 428.534 1.680 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1cccc(S(=O)(=O)NC)c1 1705600110 MGGCCOBJLYGUTE-UHFFFAOYSA-N 448.552 1.683 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn(CCCCC)nc2C)CC1 1705632247 KQJFRYLDYGITRV-UHFFFAOYSA-N 440.596 1.915 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)NCCC)CC1 1705633983 DWGQZFQVUKZHLQ-UHFFFAOYSA-N 434.342 1.317 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(CC)CC)CC1 1705648462 SXPDSPVMGIUGKR-HXUWFJFHSA-N 430.597 1.870 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705693124 BTDYUVRPVUUILZ-ZCNNSNEGSA-N 446.596 1.556 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1 1705876131 PRCCIFFJRJZRRW-KURKYZTESA-N 439.582 1.605 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNS(C)(=O)=O)C1 1705920842 FXBHWBFWZMVDCT-OAHLLOKOSA-N 440.957 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1705930247 JNDJFZHCDWPASY-UHFFFAOYSA-N 449.625 1.675 30 10 IDEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1706464871 PFNCIKQVOHIMBG-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1706751200 HWHVYDLBPFZGIO-CQSZACIVSA-N 426.456 1.888 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCCO 1711085334 CXYJHSCXMVJYEW-GOSISDBHSA-N 433.534 1.087 30 10 IDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 1712713673 GIHQAYJLZIVTKY-SFNQZPIRSA-N 447.586 1.741 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC2(O)CC2)c1 1712877663 RLBWDTBSCTXPTQ-OAHLLOKOSA-N 434.422 1.846 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712882950 PDVXCAABKRAKOK-DMEQXSTQSA-N 425.493 1.786 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712884738 RGUZSXMQZZIZNF-WBVHZDCISA-N 433.463 1.425 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722359777 AXYVHCLJPSTTAV-AWEZNQCLSA-N 445.467 1.837 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722360431 HKCRVGJZGKNZMQ-LNLFQRSKSA-N 445.545 1.018 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1722450854 SDFICTQZGVGRBG-AVRDEDQJSA-N 431.537 1.119 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1722458852 VGCCGXCPYUVUOU-HNNXBMFYSA-N 431.591 1.769 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722495098 UXYYGDGOTGEYPE-OTWHNJEPSA-N 430.553 1.600 30 10 IDEE C=CCCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1[C@@]1(OCC)CCOC1 1722622601 LEDAYKVPVLJWCS-IIBYNOLFSA-N 444.540 1.428 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722629359 KEMLDLJMKONZFI-MSOLQXFVSA-N 438.536 1.751 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1723081440 DHTASUBYVPSMGT-JOCHJYFZSA-N 425.537 1.092 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C(C)C)N1CCOCC1 1726403580 HSEZMEYNJGGVNU-FXAWDEMLSA-N 439.568 1.320 30 10 IDEE CN(C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729340282 BXDYRVNXYMRQMJ-INIZCTEOSA-N 441.536 1.285 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1731185284 WZGRMNANIKHHPJ-INIZCTEOSA-N 437.472 1.722 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740621487 MBMFWUWLYFKAOB-KRWDZBQOSA-N 427.534 1.115 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1740624112 FVAFJZGGRLOOFR-KRWDZBQOSA-N 445.574 1.239 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740624311 FICKHFLIECTZFZ-UYAOXDASSA-N 444.605 1.621 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCOC2)CC1 1740699520 JYBZNUAETHVIHF-HSZRJFAPSA-N 425.533 1.381 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)CCC(C)C)CC1 1740705213 CQIBEICGRUUVPK-WZONZLPQSA-N 444.580 1.382 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1740774604 WAWHJGKVOVAQIY-MRXNPFEDSA-N 429.587 1.829 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](COC)C1 1740953465 HAFYNYIIVARNFJ-INIZCTEOSA-N 447.561 1.514 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1740991043 MWAKUDWAEJDZKN-UHFFFAOYSA-N 440.573 1.950 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1741131762 HMDRGELFOXFLRR-HOTGVXAUSA-N 436.582 1.567 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1741693606 RNNYSVUHIXGVSC-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)s1 1742734551 FFTIAGDQGZUFNE-MRXNPFEDSA-N 443.558 1.843 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1745196137 MKJSUWNEWWRIGS-LSDHHAIUSA-N 443.508 1.287 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1749112149 CLVGPTKIKSQRNX-MSOLQXFVSA-N 440.342 1.555 30 10 IDEE C=C(Br)Cn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1749112942 SDBRWMYGNOGDRY-QZTJIDSGSA-N 443.342 1.835 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C 1749557909 ODXOJDWTOSIBKY-CEXWTWQISA-N 443.596 1.595 30 10 IDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O)N1CCOCC1 1750587282 HCEDMAXRFOUVFQ-FXAWDEMLSA-N 439.564 1.874 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750992637 GIIGUUIRFHWZCJ-UHFFFAOYSA-N 431.504 1.458 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC(F)(F)F)C1 1760201672 HSOIGIZMVUOIML-HNNXBMFYSA-N 448.449 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1760216464 OMALGUYTBDJMBG-UHFFFAOYSA-N 426.484 1.437 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)N(C)C)CC1 1760256724 JKEXWXCOBSQEAH-INIZCTEOSA-N 430.940 1.915 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(C(N)=O)CCOCC2)CC1 1760270032 SAUPQGACDLMDNQ-UHFFFAOYSA-N 442.564 1.184 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1760288438 CICUVDAKNUFVMV-QVKFZJNVSA-N 441.561 1.999 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1760313190 KLSZLVUEYPLSKW-PKOBYXMFSA-N 440.552 1.514 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CC1 1760396987 MHYZOVIYRWZHNF-HNNXBMFYSA-N 433.582 1.800 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(F)cn2)CC1 1760552690 XYRBPMSATYFIPM-UHFFFAOYSA-N 445.524 1.735 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@H]1CO 1761360115 GJSIKWJRQKVWBR-IRXDYDNUSA-N 443.552 1.981 30 10 IDEE N#C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)CCO1 1851199471 BGGRWUQLGHIHIJ-LLVKDONJSA-N 425.228 1.035 30 10 IDEE CN1C(=O)C[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1cccs1 1851835798 AJBYHFQGFNXQKG-UWJYYQICSA-N 439.541 1.900 30 10 IDEE N#Cc1ccc(F)c(C(=O)N2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)c1F 1852454178 OEZJDUSKMHKQAJ-UHFFFAOYSA-N 426.367 1.381 30 10 IDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C2)CC1 1855841651 OQZQIAHGGVINRR-QGZVFWFLSA-N 435.521 1.990 30 10 IDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1856165290 UZFKZDQNLAFDNC-QZTJIDSGSA-N 436.578 1.191 30 10 IDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C1=O)CC2 1856524646 IFWFZSBUSNJYOW-WMLDXEAASA-N 435.933 1.867 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)CN3CCCS3(=O)=O)C(=O)C23CCCC3)cc1 1856597570 MERXMLCJTNGUKQ-UHFFFAOYSA-N 430.530 1.077 30 10 IDEE Cc1c(Cl)cncc1C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857154150 RRYCRGPJEFSICI-KRWDZBQOSA-N 425.880 1.267 30 10 IDEE COc1ccc(CNC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1OC 1858422273 PZZQCZJHKZCFCI-KRWDZBQOSA-N 429.498 1.902 30 10 IDEE COc1ccc(C(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)cc1N1CCN(C)CC1 1867224396 PGCBKMQRWSGUEG-LJQANCHMSA-N 437.500 1.048 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2010545884 AXOFJIZYVGPFLW-AUSIDOKSSA-N 428.533 1.985 30 10 IDEE C=C(Br)CS(=O)(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2014680965 PFMXLDVOWSKHNE-UHFFFAOYSA-N 427.361 1.824 30 10 IDEE C=C(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2020861926 JQMDWQAJUKQSEG-CQSZACIVSA-N 444.359 1.228 30 10 IDEE C#CCOCCONS(=O)(=O)c1c(Br)cc(N)cc1Br 2150750409 IBBFAJVOMOEPKL-UHFFFAOYSA-N 428.102 1.654 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844245 TVRNIBPOESSUNF-GOSISDBHSA-N 427.310 1.426 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2267134673 SPKNZFGYHLKVSX-UHFFFAOYSA-N 448.329 1.265 30 10 IDEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267544043 OKGMBZMEZVEWJU-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267550534 AUCDVCXLHDGOPF-CVEARBPZSA-N 444.341 2.000 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267596022 HQRDQYGCXZJZGX-STQMWFEESA-N 447.345 1.052 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267876828 PTVUMBIAOBOUCC-QKDCVEJESA-N 444.341 1.619 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268642572 TWCLQBVSDVYEQV-GOSISDBHSA-N 446.353 1.756 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2272637299 UJMCDBAWBWRDSU-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 2315530957 CHFVHXSUKKWBFG-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2315534481 SMNFBWZMULIJFN-KBPBESRZSA-N 432.330 1.553 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2367834678 UEXBHYHQGVFIRY-KNKQGSTJSA-N 434.558 1.755 30 10 IDEE Cc1cc(C)nc(N/C(=N/C(=S)NC2CC2)N2CCN(C(=O)c3ccco3)CC2)n1 14160919 JMFSGWTVAHNAJE-UHFFFAOYSA-N 427.534 1.949 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 24709760 ZBKBPCMUFCSBRZ-UHFFFAOYSA-N 432.340 1.066 30 10 IDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4c[nH]c5ccccc45)[nH]3)nc2n(C)c1=O 105377395 PWEXIJRSHQGRPD-DNTJNYDQSA-N 436.461 1.157 30 10 IDEE N#CCC(=O)N1CCC(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 169871591 PDGUVRDSURIMDP-UHFFFAOYSA-N 433.262 1.066 30 10 IDEE Oc1ccc2ccccc2c1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 254571489 AMIUSBMWGRYUEF-UHFFFAOYSA-N 435.488 1.850 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 441853842 IFNLSGRFXPMTPG-LLVKDONJSA-N 429.424 1.636 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 446114918 XPEXOHBUYQEZFF-KRWDZBQOSA-N 441.553 1.435 30 10 IDEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C 447262463 DPDBLSJBUBKQRO-UHFFFAOYSA-N 449.355 1.699 30 10 IDEE Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472098961 ZKIPWWCABHIREG-UHFFFAOYSA-N 428.470 1.851 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2csc(-c3cnccn3)n2)CC1 476615456 XNNCCNJUXLDSGK-UHFFFAOYSA-N 440.510 1.618 30 10 IDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481219250 CUZDPBGYZQUSOE-HZPDHXFCSA-N 434.562 1.624 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCC#Cc4ccccc4)CC3)C2=O)n(C)n1 508050191 LGEDOHGXXTZOOD-OAQYLSRUSA-N 434.544 1.603 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCCCN3C(=O)COc4ccccc43)CC2)c1C#N 517063405 HLFQMWFRRGVCTF-UHFFFAOYSA-N 440.529 1.971 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(-c3ccccc3)cs2)c(=O)n1CC(N)=O 524282063 OKKZBGQJANEANM-UHFFFAOYSA-N 449.557 1.996 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCc3cc(F)c(F)cc32)CC1 533490830 CZWUJFLPFNZXAT-UHFFFAOYSA-N 446.479 1.732 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 549668228 RGFNMVTZTGYEMZ-GOSISDBHSA-N 435.550 1.665 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1 550014071 LPQHQPZSICIWPF-IBGZPJMESA-N 435.532 1.277 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCO2)CC1 559202639 BHIQERRUISUEDJ-ROUUACIJSA-N 439.582 1.583 30 10 IDEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 569870417 BXEPCSANYISJDC-SFHVURJKSA-N 427.509 1.386 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C#N)cc3F)CC2)cc1 609229390 KRZWIOOAEHHALH-UHFFFAOYSA-N 430.505 1.629 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(OC)ccc2nc(Cl)ccc12 725825416 BPSPJJZMOYXXIK-LBPRGKRZSA-N 428.919 1.708 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1C 730143194 RUBCPXKZJLVRLF-SFHVURJKSA-N 447.605 1.827 30 10 IDEE C#CCN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 731839832 PRDQETCESQIIPM-SNVBAGLBSA-N 429.281 1.238 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 747736998 TXWKWCSVAVRZBQ-UHFFFAOYSA-N 448.317 1.553 30 10 IDEE CN1CCN(c2ncc(C=NN=c3cc(C(F)(F)F)[nH]c(-c4ccncc4)n3)cn2)CC1 755731988 ADUWYQDZMHQWLM-UHFFFAOYSA-N 443.437 1.967 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CCCCC1 760405099 KFNPMISTIDWCBV-DZKIICNBSA-N 428.580 1.632 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 764988145 FLYKTLKHMGRBAN-ZBFHGGJFSA-N 436.534 1.741 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1cc[nH]n1 772281405 OQFXLXHGBGCHIV-HZPDHXFCSA-N 443.504 1.941 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1cnn(C)c1 776322707 DNBOYQQLIKYIDM-SFHVURJKSA-N 439.520 1.944 30 10 IDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2C1 782668378 NTJDAAJSGJIYLL-UHFFFAOYSA-N 437.504 1.932 30 10 IDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 805909635 FLYGHPMAIPISOB-HNNXBMFYSA-N 430.461 1.388 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)CC1 810049646 YIHXFHBHQPYWMK-GHTZIAJQSA-N 434.378 1.972 30 10 IDEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc1 1084236134 UUFLDNDILJQTMY-UHFFFAOYSA-N 428.522 1.752 30 10 IDEE COC(=O)CN(CCC(F)(F)F)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1126955975 WNJMLBCHMCZOCE-CQSZACIVSA-N 440.378 1.717 30 10 IDEE C#CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CCN(C)CC1 1134262755 POXSKUIYRDGNNY-UHFFFAOYSA-N 428.558 1.404 30 10 IDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)COc2ccc(C#N)cc2OC)CC1 1141655205 AZLGWCYGPIHWQR-UHFFFAOYSA-N 446.504 1.579 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1142655620 NJPGKQXUKHIJNA-ICSRJNTNSA-N 449.573 1.315 30 10 IDEE CNC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1ccc(F)cc1C 1143180232 ICTMLGYZVNSYGK-OAHLLOKOSA-N 449.479 1.905 30 10 IDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)C(=O)OC 1161365678 WPHHWSVLGKMPHB-KRWDZBQOSA-N 432.523 1.790 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)cc1 1168716073 DJXQLMKYDMKWQZ-IRLDBZIGSA-N 436.487 1.550 30 10 IDEE COc1ccc(CNC(=O)CCN2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 1169384150 YCAVGMQABLJPFE-UHFFFAOYSA-N 426.521 1.446 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 1187324839 BTGKXLUCSOGKPS-INIZCTEOSA-N 433.461 1.609 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)cc1 1198252604 YNRSPUZNUIRCFK-LJQANCHMSA-N 436.490 1.419 30 10 IDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)nn1CCC#N 1216322979 GAIOVJJKSAVJQU-UHFFFAOYSA-N 431.522 1.289 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)CC1 1255586669 FWGZHHJGQYDLHK-UHFFFAOYSA-N 436.394 1.673 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1286442878 PSJXWTVYTBNPAQ-UHFFFAOYSA-N 433.516 1.998 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1286451666 MVHRYFSLITZMHP-INIZCTEOSA-N 440.614 1.237 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cccs2)CC1 1286479963 JHPREKBYPHOCCU-QGZVFWFLSA-N 428.562 1.766 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC(=O)NC(C)C)CC1 1286484666 UOKSBVJVUZJRMF-UHFFFAOYSA-N 440.548 1.536 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)CC1 1286546989 MATUSAQVXXTUMX-YJBOKZPZSA-N 425.493 1.233 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccc(O)c1 1286781030 MYDPTNFQFTXQRF-KGLIPLIRSA-N 436.538 1.094 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286782599 ZNNLZPODWUDQRT-INIZCTEOSA-N 436.476 1.883 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286792308 UIOTZKYBVNMVKY-MRXNPFEDSA-N 428.468 1.109 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1286805165 PVLADQVBSKXAKU-SFHVURJKSA-N 449.515 1.318 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCO[C@](C)(C#N)C3)CC2=O)cc1 1289338677 CEQNOGCLSIYKFA-IIBYNOLFSA-N 448.545 1.211 30 10 IDEE CCOCCCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1297495172 MAXJCRXTLHHGQC-UHFFFAOYSA-N 449.563 1.931 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1300483279 KGQHXAOQNNWBCH-CQSZACIVSA-N 432.531 1.681 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1300499557 URLMPMPTRFLWJT-LJQANCHMSA-N 437.525 1.645 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1300539037 WWVBQQKTXFCKFG-INIZCTEOSA-N 435.550 1.168 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1300548658 NWALLKJJZHXMCW-UHFFFAOYSA-N 442.541 1.763 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1300710786 LHHJBOAXBDJGBF-FSSWDIPSSA-N 444.624 1.878 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1300820690 DSUKVLUZWCIKOT-CYBMUJFWSA-N 448.387 1.682 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1300830566 HASYJJBHISGLHY-RFQIPJPRSA-N 448.387 1.658 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301510450 XYZMMUJOZXQGKQ-IAGOWNOFSA-N 427.461 1.316 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cc[nH]n2)C1 1301567618 XLCQCRDUINTHKP-MRXNPFEDSA-N 427.534 1.865 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301575483 HEKLWVCTSGVWQI-QGZVFWFLSA-N 447.561 1.517 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCS(=O)CC1 1301578335 XTCMVUNCBBIXOR-UHFFFAOYSA-N 445.570 1.663 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1301587013 LEZNJVFFOXRBBP-UHFFFAOYSA-N 437.591 1.855 30 10 IDEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1303555882 WFRVFSZODOVTAC-GOSISDBHSA-N 439.520 1.758 30 10 IDEE C=C(C)CN1CCC(NC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1311891768 OHODMEKBERQDPF-UHFFFAOYSA-N 433.557 1.910 30 10 IDEE COc1ccc(O[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1315517780 HEZGTNQXUXYRSX-APWZRJJASA-N 440.504 1.719 30 10 IDEE C[C@@H](OC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)Nc1sc2c(c1C#N)CCC2 1317824489 HUPLFIKFRHPTCH-GFCCVEGCSA-N 429.502 1.763 30 10 IDEE O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCCN/C(O)=C1\N=CC=CC1=O 1318433090 CWLSTPAGXCRBMS-ISLYRVAYSA-N 445.526 1.571 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358888303 KQRHISRLFRPLAP-WOJBJXKFSA-N 436.560 1.979 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1358929554 CIBREMGDHBJBEY-MRXNPFEDSA-N 432.525 1.278 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCCN(C)C)c1 1358937543 ZQFMWGUDQSXDMW-UHFFFAOYSA-N 433.516 1.984 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1358976766 PVHYWHJWJXSHEP-IBGZPJMESA-N 443.555 1.997 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CCC)OC)CC1 1359164999 DVOGSJHPPSBCRZ-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(NC(C)=O)CC1 1359294287 PMHWOCUCNMBULY-UHFFFAOYSA-N 448.474 1.954 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2nccs2)CC1 1359299920 PRUJMPZRRFEQPF-INIZCTEOSA-N 431.566 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1359333495 ZMARJRZWYKYVAR-UHFFFAOYSA-N 432.612 1.481 30 10 IDEE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cnn1CCC#N 1464250649 CRDLYORPVKIIDR-KRWDZBQOSA-N 431.518 1.493 30 10 IDEE N#Cc1cc(NC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)ccc1N1CCC(O)CC1 1466018560 YQNBYYJUWRLMQL-GJZGRUSLSA-N 431.436 1.681 30 10 IDEE CSc1ccc(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1C#N 1472617208 WKMIMYHAZPLPHA-UHFFFAOYSA-N 438.513 1.901 30 10 IDEE CN(CCc1cccc(C#N)c1)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1473732746 WGMDZSCBMXGHLU-UHFFFAOYSA-N 440.569 1.707 30 10 IDEE C[C@@]12CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@]1(C)CS(=O)(=O)C2 1478568740 RBXOLVAAYFEGHM-DZFGPLHGSA-N 430.530 1.125 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)CC2)cn1 1479546416 XEAGPSMIKZRXMS-UHFFFAOYSA-N 440.529 1.889 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)n1 1492745919 BCZREEYFTZPVCH-INIZCTEOSA-N 428.394 1.260 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1495808015 DMQMYCLIUZZLBP-STGLLQLASA-N 437.495 1.705 30 10 IDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cn1 1502227758 MZGMJNDTJDGEIS-RTBURBONSA-N 435.488 1.442 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503623841 YECPRCZQQXRGLD-ZZEZOPTASA-N 443.552 1.229 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1507597114 VDOAXZQAEWPWER-UFYCRDLUSA-N 428.537 1.826 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CCOCC1 1507602224 YYFJIYVBDNOFPT-KRWDZBQOSA-N 431.562 1.706 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1507713461 KQZHRYVGVQOTTH-NFBKMPQASA-N 442.564 1.954 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1507768788 WYFZRTFMVINIAZ-DYESRHJHSA-N 427.530 1.695 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1508088173 FOIWAKQJBLTFMT-UHFFFAOYSA-N 439.520 1.390 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1508132540 VWGXCMDTYLHDMH-VQTJNVASSA-N 425.489 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCC(=O)N1 1508149188 PXPBFKIPBIYXJM-CHWSQXEVSA-N 441.464 1.350 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1509803526 CCCNDLHVKPMCKX-RTWAWAEBSA-N 436.532 1.923 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C1CCC1 1519450295 OQWSZNHTRRMDKX-BZSNNMDCSA-N 432.525 1.037 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1521129843 OROCWXCDZWUMTC-OAGGEKHMSA-N 444.458 1.164 30 10 IDEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1525878388 NIJSTQWFLSPCTQ-WDYCEAGBSA-N 436.472 1.533 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1538970158 AHJYWIKFPGHGGE-IRXDYDNUSA-N 441.561 1.775 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCS(C)(=O)=O 1539176501 PCXVTKIVSRDPQE-UHFFFAOYSA-N 439.582 1.897 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNc1nccc(C(F)(F)F)n1 1539200781 OKLJFNURLGHZAU-ZFWWWQNUSA-N 439.442 1.992 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1540865449 HEZOMOJQJOMUDK-UHFFFAOYSA-N 428.518 1.132 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540907089 LEWYRVVLALJSHW-MSOLQXFVSA-N 435.594 1.574 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1544375190 DOZVTXTYTGCZHU-UHFFFAOYSA-N 434.487 1.727 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1554301503 QLDLCFMXTRLFFI-VQTJNVASSA-N 426.521 1.125 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1554432958 AFBZRBAZVLBOAY-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@@H]1C 1554558978 RWUPINMWLKRGTH-HNNXBMFYSA-N 425.493 1.620 30 10 IDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1555462027 KLXLWCJMJOTBSS-HXUWFJFHSA-N 426.521 1.975 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1555799918 ZWXQHXLNEIKHFT-ZWKOTPCHSA-N 445.545 1.370 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOCC(F)F)CCN1C1CC1 1555996410 ZLVZFZKTEUUHBW-MRXNPFEDSA-N 437.495 1.249 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2[C@H]2CCCO2)cc1 1558481646 SFKYFSXJLGHJSA-YTQUADARSA-N 436.530 1.724 30 10 IDEE Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)cc1 1565227259 CSDKWLIIRCEKJG-TZIWHRDSSA-N 449.559 1.778 30 10 IDEE CC(C)(C)n1cc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(O)nc1=O 1565333016 RCTUCIXMKXFSIX-UHFFFAOYSA-N 438.532 1.993 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CC[C@](O)(CC#N)C3)ccc2NC1=O 1570695165 NNSRBVACEVUVDL-VGOFRKELSA-N 428.489 1.955 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1 1584112965 KFIPBSJEBUYKEI-NRFANRHFSA-N 426.538 1.980 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(N2CCOCC2)n1 1587683689 MSHVLUFNNQUXAQ-LQWHRVPQSA-N 440.548 1.740 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cn2)c1 1587692797 LTCJZPZWBJFIAT-LJQANCHMSA-N 447.474 1.868 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1587754968 PPBFNJMPCGFQIB-UHFFFAOYSA-N 431.504 1.359 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O 1587813186 HVUPACUOUUMLNN-AWEZNQCLSA-N 431.566 1.660 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587830980 GBMMOZLEQXWRKP-HNNXBMFYSA-N 427.896 1.880 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588069717 SSUJJMIJRZOZIF-MRXNPFEDSA-N 436.509 1.659 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1588128981 WGGMJDSETZTNPI-DEOSSOPVSA-N 446.511 1.289 30 10 IDEE C#CCC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1588766115 QZQCBFODWAIGCE-IXDOHACOSA-N 440.562 1.033 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)NCC2CC2)CC1 1588780491 RANUGHUREUQTMQ-UHFFFAOYSA-N 442.951 1.889 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccccc2F)CC1 1588805972 DRCQPLDQCFDFOB-UHFFFAOYSA-N 434.479 1.059 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1588890492 AGZWEMMNRKRPLN-UHFFFAOYSA-N 429.546 1.145 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)CN2CCCCC2)CC1 1588967986 DFHQQZZKVRWKLA-LJQANCHMSA-N 430.597 1.902 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1589110013 NMCYMIQFYGXGGN-HNNXBMFYSA-N 444.527 1.840 30 10 IDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(=O)NC)C1 1589110754 ZCIOVBAXYOEELR-IBGZPJMESA-N 438.557 1.599 30 10 IDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1594824517 KFHXCXFGHLYYNH-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O 1595178141 GMECKJOMVTXUCT-LSDHHAIUSA-N 431.584 1.034 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595496847 ISUYDKDSDVQEQP-IRXDYDNUSA-N 443.460 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCOC1 1595777256 KRKZLWBDNJFHAJ-INIZCTEOSA-N 436.534 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)C)CC1 1595788837 KJAOMQGPXUYGRV-UHFFFAOYSA-N 446.577 1.554 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 1595814422 KNDVEJKVYXMJFP-DHZHZOJOSA-N 433.457 1.812 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1ccc2c(c1)OCCO2 1595831453 QORKKQSXIFXTQL-UHFFFAOYSA-N 430.490 1.794 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OCC 1596777999 NFELPOZCMRNSNW-CQSZACIVSA-N 444.893 1.282 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N=c2nc(C)[nH]n2-c2ccc(F)cc2C)cc1 1598094105 KGHPHIGBDNVPQR-UHFFFAOYSA-N 427.461 1.609 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1618456438 TWZZVKIRPQMERJ-DLBZAZTESA-N 436.289 1.956 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1620154839 IBUDFGGWGDXAAZ-KRWDZBQOSA-N 426.506 1.122 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)OC)C1 1622564863 QBONJRYTDSQZBO-WBVHZDCISA-N 428.551 1.993 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1Br 1623542865 FBWGWJVBYHMHFU-UHFFFAOYSA-N 449.349 1.856 30 10 IDEE C#CC[C@H](NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O)C(=O)OC 1629617349 NBBIBBLNZGLCKH-SFHVURJKSA-N 426.425 1.956 30 10 IDEE C#CC[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C(=O)OC 1629617810 ZKHGVMZNXVBDQE-FPOVZHCZSA-N 433.464 1.181 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)C1 1633212222 ABCHNNWDVPNENB-SIKLNZKXSA-N 441.557 1.995 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 1633614244 YJGXUBXTNUXUIW-UHFFFAOYSA-N 428.499 1.846 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C3(n4cc(Br)cn4)CC3)C2=O)cc1 1634589048 SYIVBKTXKNCPPP-MRXNPFEDSA-N 428.290 1.924 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CC12CCC2 1636504960 GXFPRWKWEFHZFT-OAHLLOKOSA-N 431.493 1.649 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)CC2)c1 1636586112 ICFQMZPZVUAZKD-NRFANRHFSA-N 445.589 1.732 30 10 IDEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OC 1645502366 BUBMFBPMNXUXMR-INIZCTEOSA-N 427.523 1.706 30 10 IDEE C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1651765685 PSXQZNKSWKGOHL-OAQYLSRUSA-N 425.466 1.541 30 10 IDEE C[C@]1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CCO1 1654932786 PKESIZSXXWXDNA-PDANQNNMSA-N 432.477 1.593 30 10 IDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1S(=O)(=O)CC1(CC#N)CC1 1661556863 AHHGROYNZDAKSO-MRXNPFEDSA-N 442.582 1.896 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1665426706 PURHVGNCQCGBCH-WBVHZDCISA-N 439.534 1.709 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 1666340023 KCSZFSURIQASFK-UHFFFAOYSA-N 431.555 1.696 30 10 IDEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)nn1 1667773228 KMBGJPKUBOUOCD-UHFFFAOYSA-N 434.522 1.969 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)C1 1670283868 VHCAYAHRCHWUSJ-OAHLLOKOSA-N 434.443 1.907 30 10 IDEE CC(C)Oc1ccc([C@@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)N(C)C)cc1 1673323347 YDUXAGSXJSBSFI-LJQANCHMSA-N 440.504 1.477 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1673799119 GPRWNBUSZZBNOX-KSSFIOAISA-N 438.506 1.421 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N(C[C@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)C1 1676031224 VQLNLZWTGXQQKP-SFTDATJTSA-N 430.549 1.902 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)C1 1677538820 BPLLDACYXDURRF-LJQANCHMSA-N 432.590 1.846 30 10 IDEE C[C@@H]1C[C@@H](CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CN1Cc1ccccc1 1680697971 VOGBLQCNNARTOX-SJLPKXTDSA-N 436.516 1.688 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1683683890 FFMHTNBIUTXVPS-WGSAOQKQSA-N 448.589 1.638 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CCO2)cc1 1684841834 SMHLWZHXOYJECV-VXKWHMMOSA-N 427.549 1.438 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cc(Cl)cn1 1689951043 KKPOZBAJFOJHNJ-UHFFFAOYSA-N 447.952 1.815 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1689990629 QSTMAXOPBIWZID-HOTGVXAUSA-N 435.575 1.612 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1690019693 PHCVRYGFKUWNDU-IBGZPJMESA-N 443.529 1.191 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1690146347 LSIFQFDEUUDEQS-SJORKVTESA-N 437.491 1.562 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1690236339 LLDWKILPRATUPP-AZUAARDMSA-N 444.580 1.800 30 10 IDEE C=C(Cl)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1690358803 LDYGSJQZRPEWMZ-LJQANCHMSA-N 427.933 1.366 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1690464922 NFTVDNLATPOTBN-JKSUJKDBSA-N 436.538 1.806 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cnc2c(Cl)cnn2c1 1690515416 MEQNTELHVJZFNF-LBPRGKRZSA-N 438.945 1.449 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690661204 WTNAACBEPKLUFM-HOTGVXAUSA-N 444.511 1.951 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690672813 FAUPTNDUEKVNKH-INIZCTEOSA-N 430.896 1.465 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C(C)(C)C1 1690715002 AQBCQYFUVKQLAA-LSDHHAIUSA-N 447.627 1.362 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1690797602 JELKRTLAKJMTJN-IBGZPJMESA-N 439.476 1.841 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1691001109 CLMUMXWOPXBOJQ-FUHWJXTLSA-N 425.541 1.274 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1691003612 JLSDTSMPHWXMOR-VXGBXAGGSA-N 441.451 1.693 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1692549099 IDCAMZYUUVSSPS-HXUWFJFHSA-N 438.471 1.277 30 10 IDEE CC(C)OCCN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1692675410 VVCIHIRXAKFSDW-VZCXRCSSSA-N 443.552 1.229 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)N(C)C1CC1 1692696402 FNFWAULLJBKRPA-INIZCTEOSA-N 443.577 1.381 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1694789755 XSUAYHREFCMZBW-LJQANCHMSA-N 435.532 1.838 30 10 IDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1695393640 MLAVXZCZVQIYPQ-JOCHJYFZSA-N 437.504 1.953 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(F)c1 1697452762 DBPBKCSQLKZCPV-HOCLYGCPSA-N 435.481 1.105 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC(OCC)C1 1705495794 VNAWVVLWMPRDHR-CPFNUKBASA-N 439.582 1.274 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)c1ccccc1 1705542826 OYFVWSYCYJUHHH-NRFANRHFSA-N 447.561 1.367 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCCO)CC1 1705634523 ZOLUWIOBBUYJQM-UHFFFAOYSA-N 437.342 1.190 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN(C)C(C)C)CC1 1705642912 MCACVMHCOKVYMB-UHFFFAOYSA-N 426.565 1.961 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705660297 RNQFGGBFFXAZOL-HNNXBMFYSA-N 428.518 1.151 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCn1cccn1 1705697596 MSCJZOCMQNPZFN-IKGGRYGDSA-N 437.570 1.202 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705798990 ICYVRJHRJFCHAK-FXAWDEMLSA-N 426.583 1.904 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705843395 DMOCPYPZVZDLGI-PMACEKPBSA-N 445.589 1.417 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705891049 WILUTMXWJHTMQW-PMPSAXMXSA-N 432.525 1.487 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](N2CCCC2)C1 1705908786 HNDKFVUDDNMGFW-BJLQDIEVSA-N 432.569 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncc(Cl)n1C 1705932409 SXNKXAXOZWLFQV-UHFFFAOYSA-N 438.945 1.303 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705938463 ZHGJGDNIXSYEAY-QGZVFWFLSA-N 425.599 1.726 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cs1 1707755177 GMWCXHYYOATBQF-YLJYHZDGSA-N 433.557 1.923 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCO[C@H]1C 1712453086 ALKWLIDEWDAHFZ-BTYIYWSLSA-N 429.477 1.580 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1cccc(C)n1 1722640466 NRGUANRIOXOXJP-GOSISDBHSA-N 434.566 1.569 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722683435 OQKNCQLNRZUBTG-IBGZPJMESA-N 436.559 1.550 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1722692440 MBNVAWJSUXEXBA-ZWKOTPCHSA-N 430.553 1.459 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1722699565 WBRDQGRXICYLJS-IAGOWNOFSA-N 447.536 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1722728927 ZWDHBHJALSXJSY-SJLPKXTDSA-N 447.536 1.963 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1722751760 UEVUPGQGDUFMEC-MRXNPFEDSA-N 447.561 1.646 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1Cc1ccc(C#N)o1 1723945116 SDTQQURSMJFMPF-CPUCHLNUSA-N 434.522 1.407 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1730998180 DVHSXSJEBJARKB-RBUKOAKNSA-N 445.545 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCN(CC)CC1 1740559209 YRVWHYCQJZLIKT-ZWKOTPCHSA-N 443.621 1.754 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cccs1 1740604904 JEDBLICHIOGGSO-UHFFFAOYSA-N 433.501 1.482 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCCCC)CC1 1740692036 GAHMRCJBXQMINR-UHFFFAOYSA-N 435.536 1.493 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1740868087 DHJTXAGMHSEXQX-KGLIPLIRSA-N 426.568 1.889 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OCC)CCOC1 1740994771 WOEDWUPADKUKQU-FQEVSTJZSA-N 437.566 1.661 30 10 IDEE CC(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1741410706 RVNVLMPLZMTPAR-FMVUODCNSA-N 430.509 1.517 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H]3CC[C@H](CO)O3)CC2)c1C#N 1742668887 GQJZKAWJFRCFCJ-DLBZAZTESA-N 428.541 1.182 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)CC 1748650160 YFARCSZTQNGITE-NSHDSACASA-N 429.344 1.433 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1748840918 MXUZGJGSIOQQLR-UHFFFAOYSA-N 441.542 1.156 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1748923180 XLDUINUOFGWGQS-UHFFFAOYSA-N 440.529 1.229 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1749034213 XTUDBUZNQKUJBJ-KRWDZBQOSA-N 439.607 1.153 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749085635 CGWIHGKLXCXTLQ-MGPQQGTHSA-N 447.330 1.271 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NC2CCCCC2)CC1 1749286951 VURGVGLPXWPNFF-MRXNPFEDSA-N 438.598 1.884 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749427877 VXZJUFXQCWDHCA-IAGOWNOFSA-N 441.598 1.829 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnccc2OC)C1 1749711858 DACPOKYDAWHEPN-RDJZCZTQSA-N 433.534 1.413 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1760098072 NYJOPHJIJBNUCC-GJZGRUSLSA-N 442.586 1.603 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760183085 LYRIXBABMJTATK-NSISKUIASA-N 439.541 1.868 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O 1760197630 CTCYLBMHIQBAKQ-UHFFFAOYSA-N 436.335 1.330 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C1CC1 1760215345 XDCLZCUUWPPSEI-UHFFFAOYSA-N 429.532 1.868 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1760233486 AWMOCQSBFVKEKE-OAQYLSRUSA-N 436.560 1.694 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1760247974 WRAVGLIMVQAWHB-UHFFFAOYSA-N 440.529 1.467 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 1760249707 QYFPJYDCLAIKOK-QZTJIDSGSA-N 449.552 1.709 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCc2cccnc21 1761500983 DGACUOHSDQOWDK-XIRDDKMYSA-N 445.549 1.132 30 10 IDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1766550744 URBPGJJRMBYOFK-UHFFFAOYSA-N 425.537 1.454 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1769503925 VTDQBOCJMCQJMY-PMFSDDQESA-N 444.536 1.702 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2c[nH]nc2c1 1770049550 CYTFLGDFEXZHLE-CRAIPNDOSA-N 425.493 1.850 30 10 IDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1770268008 GMMDNHKDAZITEF-HXUWFJFHSA-N 426.521 1.676 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)C1 1770728349 OOKZTPWUNSFLSG-QGZVFWFLSA-N 439.904 1.471 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)n[nH]2)c1C 1849188626 FRUHKRYOEDCMIK-LJQANCHMSA-N 426.521 1.930 30 10 IDEE CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1850807442 NUEMKAVWOUWEOO-GOSISDBHSA-N 441.557 1.863 30 10 IDEE N#C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc(Cl)c2)CCO1 1851076836 SLKMSJVUAFFHCU-HKUYNNGSSA-N 433.917 1.981 30 10 IDEE N#CCCN(Cc1cccnc1)C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1852752724 VDECUGQMUFFGJD-UHFFFAOYSA-N 433.456 1.433 30 10 IDEE C[C@@H]1C(=O)N(C(=O)C2CC3(CCOCC3)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854640341 JCBSMHFHJWDJSX-OAHLLOKOSA-N 431.514 1.513 30 10 IDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC(COc2nccnc2C#N)CC1 1891551597 KMGHWPDWVYRBLJ-UHFFFAOYSA-N 446.467 1.834 30 10 IDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)c1 1892066777 RKQVTJWCEHOLTQ-UHFFFAOYSA-N 431.470 1.981 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1896046850 HWPSLWJLAPTWGI-BZUAXINKSA-N 425.526 1.780 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](C(=O)O)C(C)(C)S 2074742545 SMUOZPWGKJHWPZ-CYBMUJFWSA-N 428.532 1.390 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124513566 CBVQLDODMMSNRT-HUUCEWRRSA-N 448.329 1.644 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2127789991 QGKAZEOFBHFCDG-GOSISDBHSA-N 448.369 1.920 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243386628 DSRFEAHOAXDCEA-NSHDSACASA-N 427.332 1.058 30 10 IDEE CON(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)OC(C)(C)C 2243387706 ZESMTPMDFQAEJR-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE CON(CCNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243393824 YYANYLLOFLALMR-UHFFFAOYSA-N 427.332 1.971 30 10 IDEE CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243678032 DBHLAMLEQWPZCH-SNVBAGLBSA-N 444.388 1.454 30 10 IDEE C[C@H](COCc1ccccc1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2247953397 SWKAAJHEBOXKCJ-OAHLLOKOSA-N 435.355 1.603 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248401226 GSFJJEMNLCWGDF-IUODEOHRSA-N 440.371 1.938 30 10 IDEE COCC[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255595079 GVCCFRAWAJOEEH-CYBMUJFWSA-N 438.334 1.369 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255650384 CEALNAMLFJYXJU-UKRRQHHQSA-N 432.330 1.904 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2255694870 VHBWTQHSBSDXCD-QGZVFWFLSA-N 426.326 1.936 30 10 IDEE COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255753990 UWMFGJKGPGFXBS-UHFFFAOYSA-N 449.338 1.083 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2255843343 GCCHMLXKAVBPCP-QDMKHBRRSA-N 430.314 1.371 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255861184 AGQHXEZDJYXKST-YPMHNXCESA-N 429.248 1.986 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CC[C@H]3[C@H](NC(=O)C(F)(F)F)C4)[nH]n2)OC1(C)C 2267145874 JEPHSQXYLPNGPF-LOWVWBTDSA-N 442.247 1.381 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2267193975 AKFPBMAKSKMMCT-UHFFFAOYSA-N 449.357 1.861 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1 2334269804 BTZICXRWRYYQFY-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2367809209 LAOJEIVLVXCHMD-DENIHFKCSA-N 434.558 1.709 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1 30993720 CJEFHYUPAQFVIB-KRWDZBQOSA-N 442.497 1.414 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccccc2C(=O)NC)cc1 96348664 DSUJQMIYUAOCJT-UHFFFAOYSA-N 427.526 1.858 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 478737656 MCESFZITNJYUQM-OAHLLOKOSA-N 427.526 1.531 30 10 IDEE Cc1ncc(S(=O)(=O)NC[C@H](O)COc2ccccc2Br)cc1C#N 489703231 YNXZDXNVXCOVLD-ZDUSSCGKSA-N 426.292 1.742 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(NCC3CC3)nc2)CC1 506108337 TZGIYRZZKFKAAA-UHFFFAOYSA-N 425.514 1.922 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 508290452 GRNUGAFTTGNZBZ-RTBURBONSA-N 425.489 1.133 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCc1ccccc1 508491826 HWWWPIKQHLZWPY-SFHVURJKSA-N 435.550 1.450 30 10 IDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 508911266 HUVXTLDFLFSPFW-IBGZPJMESA-N 431.500 1.961 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 523580140 SGUTUROQPPDBST-UHFFFAOYSA-N 445.610 1.812 30 10 IDEE C=CCc1ccc(OC[C@H](O)CN2CCN(c3ccnc(N(C)C)n3)CC2)c(OC)c1 532731533 RUFXRIJWFWHEKH-LJQANCHMSA-N 427.549 1.842 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@H](C)C#N)C3CC3)CC2)cc1 532817349 BBNWUJKBDUJPRV-QGZVFWFLSA-N 434.562 1.542 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 539504192 MJZVXGICRSZABF-HNNXBMFYSA-N 445.549 1.980 30 10 IDEE CCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598342 KPCPYTRDCXVAKC-UHFFFAOYSA-N 426.542 1.547 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 541074796 ISOXNLGAMUDUHE-LBPRGKRZSA-N 448.526 1.088 30 10 IDEE CCSc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@H]3CCCO3)c2=O)c1 547434541 WSQZSUITLIKGPV-OAHLLOKOSA-N 429.567 1.450 30 10 IDEE COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(F)c1 571964054 LYDLFXPCVZNFEH-INIZCTEOSA-N 433.461 1.124 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 577654665 GTUSLLAVWJVBQO-NRFANRHFSA-N 427.593 1.917 30 10 IDEE CN1CCN(CCOc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 610377367 HWDLMNAFYNELTE-UHFFFAOYSA-N 439.491 1.578 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 680307519 DJCXDAZUUMEBOV-XPWALMASSA-N 439.604 1.917 30 10 IDEE C=CCOc1ccc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1OC 682386794 CPLJGHFRDCQLJJ-UHFFFAOYSA-N 431.514 1.870 30 10 IDEE N#C[C@H]1CN(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1C1CC1 732674781 MBCJXXFNRGACKG-IBGZPJMESA-N 431.562 1.469 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cn1 735069689 ZFVQMELKUVGPSF-UHFFFAOYSA-N 433.537 1.596 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)Cc2ccccc2C1 737985709 XEZVLLQYEFTIHE-IBGZPJMESA-N 441.553 1.786 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 751921671 HRFLIQZBRIOTKW-NVXWUHKLSA-N 433.578 1.437 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC1)C2 755782520 NLEZZSAFWBFXRX-SKPFHBQLSA-N 436.560 1.526 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O 757377496 SDGPMUXWXUSQHT-NRFANRHFSA-N 436.464 1.823 30 10 IDEE C[C@H](CC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 765704144 GYTKEADGMPLEFB-BFQNTYOBSA-N 433.452 1.666 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 766981686 ZIQRFDNUPVTVGG-UHFFFAOYSA-N 446.510 1.850 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780982322 FVHCXFCVUSTLID-FQEVSTJZSA-N 429.498 1.523 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 781660453 JIGGSXCXJARUGY-UHFFFAOYSA-N 429.505 1.386 30 10 IDEE CC(=O)N1CCN(c2cccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2)CC1 782081283 HVOUSJWDZNOXSA-VXPUYCOJSA-N 426.477 1.003 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 789322258 FNDZNGYPQCTXNR-UHFFFAOYSA-N 429.952 1.967 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN(C)C(=O)c2ccc(Br)o2)n1 790109317 VSTQYQLHGXQHIT-UHFFFAOYSA-N 437.294 1.619 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccs1 802702438 IKVCUDIRFXCTBS-DZGCQCFKSA-N 435.579 1.175 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H](C)F)cn1 814710572 UBHHEBYONOWGIB-DZGCQCFKSA-N 425.530 1.838 30 10 IDEE COc1cccc(/C=C(\C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)n2nnnc2C)c1 916777772 SXYXQGZNKZWCJL-YBFXNURJSA-N 438.469 1.506 30 10 IDEE C=CCn1cc(C=NNc2nc(SCC(=O)N(CC)Cc3nnc(CC)o3)n[nH]2)cn1 1083865894 IKKYDGPCEVMQCP-UHFFFAOYSA-N 444.525 1.719 30 10 IDEE N#C[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 1124062115 NRWYSMLTXQAZQE-DGCLKSJQSA-N 433.408 1.747 30 10 IDEE COc1ccc(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1144862418 OPPTVMKMRNRYFD-UHFFFAOYSA-N 428.514 1.925 30 10 IDEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CCN(CCC#N)CC1 1152067840 GZRRXWSFAWLCDU-VZZQTLFRSA-N 436.603 1.756 30 10 IDEE CC1(C)NC(=O)N(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1=O 1159559829 UZUDIVXPDAYVEA-UHFFFAOYSA-N 448.321 1.594 30 10 IDEE CC(C)NS(=O)(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 1194289924 CBSATBJGARJQKC-MRXNPFEDSA-N 425.530 1.321 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)C1 1194690423 HGZCHQBGVXMKOS-NSHDSACASA-N 433.299 1.751 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)n(Cc2ccccc2)c1C 1197203060 QWUQORIRUUAJSD-RBBKRZOGSA-N 435.528 1.943 30 10 IDEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 1264633904 FFFKWHZLTZYPCC-VUSLFOADSA-N 444.517 1.673 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286382978 URFOCBBWCALXQM-SFHVURJKSA-N 447.536 1.425 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286395306 ZNTGFJRTPHEUTI-FQEVSTJZSA-N 433.622 1.979 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CSC)c1 1286396028 CHPHGRYNVZPPPY-INIZCTEOSA-N 431.587 1.872 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCCC1 1286405051 ZZLXHAPXGLPCKM-IBGZPJMESA-N 429.532 1.726 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@](=O)CC 1286445680 AJKWCAGQHGXWMZ-BEIWTESXSA-N 439.582 1.815 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1286447594 MTCHQPVKDYXFDR-SFHVURJKSA-N 432.550 1.017 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286475326 WYHFNNAJWBBCPY-XUTLUUPISA-N 435.488 1.128 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1286483488 NDROCXVYKGPNGC-PMACEKPBSA-N 428.581 1.751 30 10 IDEE C#CCSCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1286513201 RKZVIKMIHUGQFD-RXVVDRJESA-N 446.577 1.399 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1 1286537691 HWJMNZQQDVIGAW-CABCVRRESA-N 441.374 1.685 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1286562778 SJNJQYMBVNTNDG-AEFFLSMTSA-N 434.566 1.346 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1286726566 GBKJMVHBHAVDBR-GOSISDBHSA-N 435.550 1.599 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCCOC2)C1 1286824020 UCVPJAPXDFAWBZ-FQEVSTJZSA-N 437.566 1.008 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1288321742 ZYLJLAGGLAZARZ-QVKFZJNVSA-N 428.493 1.499 30 10 IDEE C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1291146097 WUYRYSWTMJSOLO-FTFAEBDGSA-N 441.536 1.523 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(CC(F)(F)F)CC2)s1 1292150214 AKVJXNWXIFUODR-UHFFFAOYSA-N 425.498 1.852 30 10 IDEE CCN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1295077298 YSEGRXRTMFHXIB-CQSZACIVSA-N 425.493 1.185 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1296429664 XIOUXYCPEHSIQF-OAHLLOKOSA-N 441.492 1.628 30 10 IDEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](F)(C#N)C1 1297557996 QJQBPOKJIDRDPL-IBGZPJMESA-N 436.513 1.674 30 10 IDEE CCN1CCC[C@H]1CN1C[C@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1=O 1300155152 GQIGXMHADQGZFI-GGAORHGYSA-N 437.588 1.972 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1300327371 AHIFZJBYNJEEMN-IERDGZPVSA-N 441.467 1.110 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSc1ccccc1 1300466557 YBVRJLSWKHQOAV-GOSISDBHSA-N 449.602 1.863 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300492584 NRQMOHGFSPOVOR-MSOLQXFVSA-N 445.593 1.338 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1300580777 ILMCAMQRBSARBZ-MOPGFXCFSA-N 435.519 1.991 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCCN(C)C)CC1 1300691398 XFQJCMVLHOYPAA-UHFFFAOYSA-N 433.560 1.827 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1300882518 VKIPGQSRAHYHIN-ZWKOTPCHSA-N 432.550 1.403 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300893135 XUHYIRXQHGSHDF-ZWOKBUDYSA-N 446.552 1.659 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1301253062 VNAFFOFESCWXMZ-MOPGFXCFSA-N 443.552 1.541 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 1301492926 RQGQFOVMEVZSIT-UHFFFAOYSA-N 438.941 1.309 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1301553582 OOUONUPYTOILPL-ZWKOTPCHSA-N 428.537 1.560 30 10 IDEE C#CCN1CCN(C(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 1302089066 SVOGCARMJZQWSL-CQSZACIVSA-N 438.479 1.789 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N(C)C)c(F)c1 1303823277 LWDRBLSIAOVSCQ-AWEZNQCLSA-N 449.556 1.882 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 1309799693 JGUZDWVSERQGHR-UHFFFAOYSA-N 441.347 1.897 30 10 IDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c(OC)n1 1315497356 GDMTUJCEOXDYQU-QVKFZJNVSA-N 425.493 1.820 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1316250887 FZIUYVWUFQCWFU-SFHVURJKSA-N 426.521 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1358897241 VVTIJTLYCIKHCM-GJZGRUSLSA-N 435.575 1.695 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N1CCOCC1 1358937704 FIUDWGOUHQPOFV-MRXNPFEDSA-N 430.940 1.652 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358960285 AVMPVHOBEIOCSI-LJQANCHMSA-N 446.577 1.512 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(C)(=O)=O 1358972781 SKNIFHBSKRKUOH-UHFFFAOYSA-N 431.587 1.898 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nnc(C)s2)CC1 1359044977 SYONSNHEYJMJHG-INIZCTEOSA-N 429.550 1.346 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1359129834 ORGQRFMZDBFVOI-GOSISDBHSA-N 443.504 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCOCC2(CCC2)C1 1359326777 JLBHCLVPNNEJCR-UHFFFAOYSA-N 437.566 1.122 30 10 IDEE CC(C)COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360071058 SEAMFRWPDAWFDC-SFHVURJKSA-N 439.520 1.827 30 10 IDEE C#CC[C@]1(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)CCCN1C(=O)OC(C)(C)C 1450606619 DDBJIGYQRNJPTQ-JOCHJYFZSA-N 429.521 1.924 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1(C)C 1451938037 FIGUXQAFPBIDQD-HUUCEWRRSA-N 436.534 1.533 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(I)cc2-n2cnnn2)C1 1455705944 QNAISUTYIJXURG-CYBMUJFWSA-N 436.257 1.094 30 10 IDEE C#CCOc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)cc1 1468164717 DCZSYGBWSHHMAJ-UHFFFAOYSA-N 434.539 1.836 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC(=O)OC)CC1 1470480732 HDTZUQNQHBSMPU-INIZCTEOSA-N 436.534 1.631 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1470981977 AGUGJTPPLQNYGB-GOSISDBHSA-N 426.565 1.769 30 10 IDEE C#CC1(F)CN(C(=O)CNS(=O)(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)C1 1471606919 JUTAOSGHVQWGKL-UHFFFAOYSA-N 429.495 1.805 30 10 IDEE C#C[C@@H](NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1478896392 NHYUNAYMZVXAOZ-NVXWUHKLSA-N 427.320 1.723 30 10 IDEE CCN1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1502298833 AFKREZOWHHBQGE-DLBZAZTESA-N 443.577 1.873 30 10 IDEE CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1502986766 AXBORQPKQREUCH-GOSISDBHSA-N 426.521 1.831 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1503720813 UPKARKLVXBNCTK-RMYFCYLKSA-N 431.541 1.211 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1507539263 TWSYCXCNNYABLL-PXNSSMCTSA-N 443.573 1.955 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507629248 LRWSAHKWSMYJIY-SFHVURJKSA-N 441.557 1.618 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1507671292 IEVWZTJBIPJIQK-OAQYLSRUSA-N 449.511 1.502 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507811298 PODYIXNJBULCNY-QLDGJZPUSA-N 433.553 1.612 30 10 IDEE C=C(Cn1c(Cc2ccccn2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1507850821 BRFICFIOMMJHLZ-UHFFFAOYSA-N 426.546 1.963 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508074328 RYAMKGZNFRDNMI-OAHLLOKOSA-N 448.474 1.811 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513068515 URBFFSGDWONPQT-XJUSKDBGSA-N 443.508 1.349 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1517249286 BLQJWACVHRKPMT-XUTLUUPISA-N 437.504 1.729 30 10 IDEE CN1C[C@](C)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1517408108 IEWMERXNFBODTF-OXQOHEQNSA-N 430.896 1.718 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C 1520270115 GMCIGPCSUCMHFF-KRWDZBQOSA-N 426.535 1.848 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1524477508 QQDLGEYALVZPGF-RDPSFJRHSA-N 441.528 1.791 30 10 IDEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1525878386 NIJSTQWFLSPCTQ-IEZWGBDMSA-N 436.472 1.533 30 10 IDEE N#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 1530820542 SOZVPTYVHPTQIO-OAHLLOKOSA-N 429.458 1.947 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(C(=O)OCC)s2)c1 1535253114 MRTIWKXEJBBJRB-UHFFFAOYSA-N 427.482 1.807 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539045047 PDZCTAXJDBVWCM-INIZCTEOSA-N 438.598 1.470 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539225625 PSTSSRADUVIGOZ-HKUYNNGSSA-N 429.546 1.317 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1539306141 DDGCFMFOZIWKBY-YTTGMZPUSA-N 448.556 1.685 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1539315656 RBSNLCIRJPTDAD-QHCPKHFHSA-N 431.500 1.123 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1539453714 CLNQGETYCWTERM-UHFFFAOYSA-N 442.633 1.921 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539491034 KTMZAUHLAOQJSV-FQEVSTJZSA-N 425.518 1.008 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539758750 TUPSGYCCUUBPAH-JOCHJYFZSA-N 432.569 1.294 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539903426 ZIYZZZWFGCGQGL-DOTOQJQBSA-N 435.598 1.667 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(ccnc2O)C1 1540007206 ZEVWOIAQDVCCCN-KRWDZBQOSA-N 448.549 1.241 30 10 IDEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1542582262 GEPXJCXVKUUHCU-NRFANRHFSA-N 446.577 1.964 30 10 IDEE CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1546018805 IXTBBBPGNLVYSO-FUHWJXTLSA-N 428.541 1.795 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCCC1 1546490414 WPSMNBZFJNFIDJ-UHFFFAOYSA-N 430.534 1.733 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1548275799 MIQPOPJICYNXOW-UHFFFAOYSA-N 439.520 1.759 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)cn1 1548368015 HGACTKPGLRRXCT-MRXNPFEDSA-N 433.390 1.797 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@](C)(C#N)C1 1552378275 BRXCNCVSSADTMD-FQEVSTJZSA-N 427.534 1.886 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C[S@@](C)=O)cc2)s1 1556535407 SYZFJMWVXOCPRZ-AREMUKBSSA-N 426.585 1.950 30 10 IDEE C#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCCC1 1558106371 YLZJOIIWRMMKNL-UHFFFAOYSA-N 431.558 1.670 30 10 IDEE Cn1c(NCC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1559258008 NTSKOEHSTKTFFB-MRXNPFEDSA-N 427.505 1.894 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 1559347685 IPHGVQOKRLIOQZ-ZDUSSCGKSA-N 434.499 1.469 30 10 IDEE COc1ccc(N2CCN(C[C@H](O)CN3CCN(c4ccc(C#N)cc4)CC3)CC2)cc1 1560077538 PDGMXLOPDJMEPB-XMMPIXPASA-N 435.572 1.872 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)NCC(=O)NCC#N)c3ccccc3O2)C1 1564721227 PVQINYLBFZCGCR-KSFYIVLOSA-N 443.504 1.829 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnn(-c2ccc(Br)cc2)n1 1566443251 FCXWBBGMEXGNMM-UHFFFAOYSA-N 429.282 1.912 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 1584107781 GUPLGDASZIHKKB-OXJNMPFZSA-N 442.541 1.108 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCCOC3=O)CC2)ccc1F 1585446678 WXZFVYFGHJQBHK-UHFFFAOYSA-N 425.482 1.737 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1587869458 NCZBLGAHFZNVNJ-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4cccc(F)n4)CC3)C2=O)cc1 1587895996 FXZZIEZLFFCJHX-QGZVFWFLSA-N 436.447 1.646 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588003347 WBFLKASOZZEGAZ-WMZOPIPTSA-N 448.618 1.907 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588035699 XFXYKQSVCQXTSP-YJBOKZPZSA-N 447.517 1.763 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1588233237 DXSSFQQIHNPOPI-MOPGFXCFSA-N 431.562 1.430 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1589047647 DMCFONDAKLINBI-QGZVFWFLSA-N 425.562 1.844 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)OC 1589216744 WKMCMGPWRYRROT-TXPKVOOTSA-N 425.555 1.028 30 10 IDEE C#CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nnn(C)n3)cc2)cc1 1593795547 YFMVOHXZMVQIAE-UHFFFAOYSA-N 426.458 1.665 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCSC1 1595506693 JPBHOMYSJLOSSC-INIZCTEOSA-N 425.522 1.165 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595556169 PWJQVIKZCVBYQR-HOTGVXAUSA-N 431.880 1.939 30 10 IDEE CC(C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 1597846684 CTRJXVAYOYUGAH-FQEVSTJZSA-N 439.564 1.142 30 10 IDEE COc1ccc(CC[C@H]2CCCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)cc1OC 1611093741 DXELVQZKGWZQGY-QGZVFWFLSA-N 426.473 1.852 30 10 IDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1619171308 DPLSSYFUCQVPIN-NJYVYQBISA-N 448.608 1.691 30 10 IDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1623969211 GHVGFCBOHKEBGL-MRXNPFEDSA-N 425.507 1.747 30 10 IDEE C[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCS1(=O)=O 1625105034 AVPQKLSDIPJVAP-JQCXZVQFSA-N 425.551 1.809 30 10 IDEE C=CCC[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1636822879 VNPZFFRSWUIHEN-HZPDHXFCSA-N 425.526 1.906 30 10 IDEE CCC1(N2CCOCC2)CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1642107135 BMTKKEVONBYULC-KRWDZBQOSA-N 434.562 1.328 30 10 IDEE NS(=O)(=O)c1n[nH]cc1C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645936682 FUKJQNWSQMKRCP-OLQVQODUSA-N 442.288 1.300 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OCC 1654769598 GRZUWOSXKPZGEQ-LBPRGKRZSA-N 437.884 1.181 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1655158294 WPYBWSLIESOELF-UFYCRDLUSA-N 438.546 1.925 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)cc1 1663403112 AGJPFXAPCHBNNP-UHFFFAOYSA-N 429.420 1.808 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)c(C)cc2OC)CC1 1668572825 GAUNLQYYPVGPGS-UHFFFAOYSA-N 445.339 1.383 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(C#N)cn1CC 1672913217 BNACVNPQBTYTQW-SWLSCSKDSA-N 427.465 1.605 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1682987453 GRCROORQFIFDGD-KRWDZBQOSA-N 430.509 1.421 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)O1 1686056019 QBLLOLWOWIOYFT-IECFSIQFSA-N 438.525 1.350 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCC(N)=O)CC1 1689937280 UZLVSMZHGZCFFT-UHFFFAOYSA-N 430.534 1.154 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1689996849 PVQBLBOPKZOEBH-INIZCTEOSA-N 446.529 1.017 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccn(C)n2)CC1 1690113611 ORXJDQOHCBUABA-UHFFFAOYSA-N 443.353 1.583 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690236020 HHWRPGXLNVPAOC-ZWKOTPCHSA-N 432.569 1.556 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690308435 NUQRZAJVAMPOFC-NRFANRHFSA-N 426.525 1.757 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690326909 HMDVQSVTNGQNOE-LJQANCHMSA-N 435.916 1.081 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690350995 DUTVDOAKJCWCDC-UHFFFAOYSA-N 430.944 1.886 30 10 IDEE C=CCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(=O)NC)C1 1690510821 GCKAEDLOZPAVJY-FQEVSTJZSA-N 438.532 1.825 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1690615511 IGDXTXKNSOZYOK-UHFFFAOYSA-N 430.534 1.491 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690723935 DVCASFZISCPKBZ-FUHIMQAGSA-N 440.566 1.505 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1ccco1)N(C)C 1692781585 HWIWIAOCSTVJKA-PMUMKWKESA-N 439.517 1.226 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1=O 1696885687 OIMAWTXYUGEYNO-LAUBAEHRSA-N 442.545 1.308 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(OC)CCOC2)cc1 1697492778 CTTAUAMQGWVSRL-NQIIRXRSSA-N 429.477 1.400 30 10 IDEE COCCOCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1698216548 OHUYJGCKQSKVLE-FXAWDEMLSA-N 443.504 1.963 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1705566669 QDJLFETZKYSJKS-ZBFHGGJFSA-N 433.559 1.160 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705571368 YYNHWZOOQMOYJW-QFBILLFUSA-N 437.591 1.422 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1705626735 HKTYRVFSOGSKRY-UHFFFAOYSA-N 432.550 1.141 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC2(C)C)CC1 1705645565 XVLQOXXPPYQJPA-WZONZLPQSA-N 429.565 1.942 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@@](=O)CC)CC1 1705645838 HHRHTZGKLWDVPR-PMERELPUSA-N 448.980 1.728 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCn2nc(C)cc2C)CC1 1705648063 QKEKUSNRVADLPF-UHFFFAOYSA-N 449.563 1.548 30 10 IDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1705764920 SDZNBCKRFNXEJE-UHFFFAOYSA-N 447.517 1.949 30 10 IDEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)N(C)C 1706798871 IBJUGPYFPXCDBD-FFGOWVMKSA-N 442.589 1.874 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1708718815 BQYKWCRWTCWJGM-KRWDZBQOSA-N 431.585 1.905 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1Cc1cnnn1C 1712443188 UXUMVJHYNQILQH-IBGZPJMESA-N 436.520 1.874 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCc1ccco1 1722293619 DHIHOALZTMJCNF-QGZVFWFLSA-N 448.531 1.819 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1722382359 HHWRKSVWUZYGJT-INIZCTEOSA-N 435.550 1.120 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1722383332 HDTLDJQXUSWBAS-DENIHFKCSA-N 435.528 1.710 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCc2ccco2)CC1 1722434002 JVUXJHZQSPBRBL-UHFFFAOYSA-N 434.500 1.618 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1722436092 WLISRKOERBYFDA-UHFFFAOYSA-N 429.546 1.286 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 1722450260 BEKRPOYUGWZESU-UHFFFAOYSA-N 442.495 1.050 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722453003 MYYCQTAUXBRTDC-KRWDZBQOSA-N 430.582 1.833 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722457606 HEOMPJLPSWTTNT-UHFFFAOYSA-N 448.618 1.781 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722462127 YKYOLGGXGQAWNL-UHFFFAOYSA-N 436.545 1.217 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1722503290 CCWOSQNKXPTMDF-BJLQDIEVSA-N 438.532 1.946 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1722509381 XDQMCLRIIGGGEC-QUCCMNQESA-N 426.521 1.616 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722626424 DECBALMDPATRIW-FGZHOGPDSA-N 449.552 1.942 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1722676969 PXEDKQDEHSUKBN-MRXNPFEDSA-N 445.549 1.678 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)CC 1722680034 ULKIBMYHQUIGPK-UHFFFAOYSA-N 425.493 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722696677 SOXUTCDGUXPQKQ-INIZCTEOSA-N 439.520 1.296 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722726883 GLRWGDINSJYFPQ-KRWDZBQOSA-N 445.549 1.284 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1723041877 FWOLAOMTKACVAR-UHFFFAOYSA-N 434.504 1.616 30 10 IDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n[nH]1 1725452874 GGXDKPQYSWWRFE-KGLIPLIRSA-N 442.549 1.744 30 10 IDEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCOCC1 1730510052 BIYAPRPTMOCRKX-OAHLLOKOSA-N 440.570 1.071 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1 1740540154 YEDQLBZKWOAEIL-AWEZNQCLSA-N 426.550 1.786 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740580519 AMNOTWSWAWVOGN-KRWDZBQOSA-N 444.561 1.264 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740634844 GNOXWUCJPXRYQQ-OALUTQOASA-N 434.523 1.703 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1740850618 ICVOQMZHRBGITI-CVEARBPZSA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740961667 HFESEFUUUAPAQG-LJQANCHMSA-N 435.536 1.616 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1743254100 HEEYTAPTTHMNNC-HXOBKFHXSA-N 438.532 1.973 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1743887624 RENBHHATIYOFIS-ZYSHUDEJSA-N 435.532 1.836 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1OC 1748669709 HTSQCSGDLIXTKF-KKSFZXQISA-N 429.477 1.497 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1748808018 GCMQKNMYDGGUKU-QGZVFWFLSA-N 430.530 1.617 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748815440 QMCYOTXTPFODQO-JENIJYKNSA-N 435.594 1.282 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749266736 KVPAZRNWJRRLKM-UONOGXRCSA-N 431.946 1.012 30 10 IDEE COC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1749565327 GTSIDLSZDYCRTR-IJYGLTAASA-N 432.525 1.245 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(CC)S(C)(=O)=O 1760107271 MKEZFXKAUKGWBS-HNNXBMFYSA-N 433.534 1.803 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760127762 LOTIAOUGFLYQNA-UXHICEINSA-N 428.581 1.865 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1760205384 AEOXJISCGABNDS-MRXNPFEDSA-N 442.497 1.061 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(N)=O)c2)CC1 1760261302 NNNFHOLKNRCHTB-UHFFFAOYSA-N 432.532 1.042 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760449610 OOWZNMKQGMDLAW-INIZCTEOSA-N 446.581 1.699 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760519907 UFAXOMMOYWGXLK-INIZCTEOSA-N 440.529 1.419 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760523037 KOCKYDKBPOFAHZ-UHFFFAOYSA-N 441.521 1.282 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1761359791 ADRWPLNLBIPMJH-IVZQSRNASA-N 437.504 1.736 30 10 IDEE COCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769735604 WYETUHHXVQYSTP-UHFFFAOYSA-N 435.536 1.770 30 10 IDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1770445427 HOXOOONZEQTILB-QFIPXVFZSA-N 435.463 1.862 30 10 IDEE COCCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1771039961 IZXIQTLUQKXAPP-UHFFFAOYSA-N 449.563 1.835 30 10 IDEE CS(=O)(=O)N1CC(C(=O)N2CCN(c3nc(-c4ccccc4)ccc3C#N)CC2)C1 1852267695 OVLFEHFKKFZWHC-UHFFFAOYSA-N 425.514 1.160 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1 1858076686 FXXUXOYDVMARPD-FQEVSTJZSA-N 438.509 1.788 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 1861512540 FNXMAYFBMYFCGQ-UWJYYQICSA-N 447.491 1.982 30 10 IDEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1C 1870155193 APDMTXHAEOXEMO-UHFFFAOYSA-N 445.395 1.899 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CCOC 1870534369 AIGZBBVFDWKZAJ-UHFFFAOYSA-N 434.581 1.506 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874273452 FWWUVKYQRVVUIH-CGYLCNSDSA-N 432.506 1.263 30 10 IDEE CC(C)(C#N)OCCS(=O)(=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882485781 HTXVIYSOFQYFAX-HNNXBMFYSA-N 426.491 1.878 30 10 IDEE N#Cc1cccnc1OC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 1891281971 MDZSXOLKJMUUKJ-UHFFFAOYSA-N 426.454 1.168 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1 2017408498 PAEAAKGSSFOVKA-CYBMUJFWSA-N 426.377 1.756 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCN)cn1 2158595210 NVKBZYSYVMBZPY-UHFFFAOYSA-N 426.498 1.456 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(N)=O)C1 2255346785 MAOMFQQKWIILPT-NRFANRHFSA-N 433.314 1.625 30 10 IDEE Cn1cc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255623493 NVETYIMSUFXJND-QGZVFWFLSA-N 430.236 1.002 30 10 IDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644780 KWELPILKWXIJHL-UKRRQHHQSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)CC1 2255816624 IOINCTQYZONGDT-UHFFFAOYSA-N 437.346 1.984 30 10 IDEE COC1(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255848350 ALZHCOSAXAXTRS-UHFFFAOYSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2256887927 AMMQPVPOZAWLCZ-UHFFFAOYSA-N 436.293 1.089 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256917312 SWMGGPIZKNSVMB-XJKSGUPXSA-N 429.282 1.497 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)[nH]n2)OC1(C)C 2256924945 PPHUJKIHTAOEHN-HNNXBMFYSA-N 429.282 1.499 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCO1 2266989239 AWJCELODQQSJRQ-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2267099370 KCKCMNQBFQUQFH-RBSFLKMASA-N 448.329 1.073 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267266936 GZFYOOUCWQGUJJ-CABCVRRESA-N 447.341 1.481 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2267589970 ILLBIWFCTUBNJX-RDJZCZTQSA-N 449.357 1.517 30 10 IDEE O=C(O)[C@@H](CCS)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824174 JOOPMJATQWOCRG-OAHLLOKOSA-N 428.532 1.536 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2337197585 YNBQKUOJGGVFKV-QKDCVEJESA-N 446.357 1.562 30 10 IDEE CC(C)(C#C[C@@H](NN)c1ncc(Br)cc1Br)S(C)(=O)=O 2365172232 WCVKHQKYKPCSTB-SNVBAGLBSA-N 425.146 1.938 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 22700845 DSYYRWDZHAEEBW-UHFFFAOYSA-N 431.514 1.465 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)n(C)c1 105288425 PBZXKZAQVVIPRT-UHFFFAOYSA-N 430.534 1.285 30 10 IDEE CCN(CC)c1ccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254491364 JJEVRHORUMNGOE-HZPDHXFCSA-N 439.559 1.999 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 460549143 FEURZUACXMKCRC-HOTGVXAUSA-N 434.570 1.360 30 10 IDEE N#C[C@H](NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 463307147 HKYYMNDYKQHHDU-BBOXDSQKSA-N 432.274 1.682 30 10 IDEE C[C@@H]1[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1 466797516 WMNBJTQIPULWAC-OXQOHEQNSA-N 425.510 1.779 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 476759857 WZFLIEACAXGAJO-SPLOXXLWSA-N 447.488 1.959 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 482839871 VDFIUOSHILQXAR-DZGCQCFKSA-N 434.468 1.898 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCCN2CCOCC2)CC1 502863723 QLYLYNIINXPCQB-UHFFFAOYSA-N 428.493 1.750 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 508497876 NYECFSGISOZALP-PKOBYXMFSA-N 447.561 1.800 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2nnc(C(F)(F)F)s2)CC1 508864247 NGPBICRUEOWABO-NSHDSACASA-N 431.444 1.749 30 10 IDEE C=CCn1c(CCCc2cccs2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 509014493 XLBOUTOOPVSHNN-UHFFFAOYSA-N 444.605 1.682 30 10 IDEE CCc1c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cnc2c1c(=O)n(C)c(=O)n2C 511691369 LPRLNVJJJJFWAX-UHFFFAOYSA-N 447.430 1.643 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C 513046272 JZJBMBLFHDBWMJ-UHFFFAOYSA-N 429.542 1.118 30 10 IDEE CCc1oc2ccccc2c1C=c1sc(=C(C#N)C(=O)NC)n(C[C@H]2CCCO2)c1=O 514685014 HCJNSXFQILDUJE-CQSZACIVSA-N 437.521 1.646 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)cc1F 518791496 YABYXUHPCHVYDS-QGZVFWFLSA-N 443.544 1.812 30 10 IDEE O=C(Nc1ccnc(OCC(F)(F)C(F)F)c1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 540574430 BXNAWNBISIQPPH-ZDUSSCGKSA-N 433.280 1.825 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)n1 542030260 SEGNRCQNKPJWIL-UHFFFAOYSA-N 427.896 1.825 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 543203664 DCGMBUCOBUXSIQ-RTBURBONSA-N 446.467 1.470 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccccc1 558794334 RSDUBNSTESXBCY-UHFFFAOYSA-N 432.530 1.673 30 10 IDEE Cn1cnc2c1c(=O)n(CC(=O)N(Cc1ccccc1)c1ccccc1C#N)c(=O)n2C 567135413 VMZHQKONZWJPSP-UHFFFAOYSA-N 428.452 1.539 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(c2ccccc2)CC1 583409201 DQNGUFFYRJIKFV-LJQANCHMSA-N 446.577 1.514 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)cs1 590915133 GVKONHMYPATRNR-INIZCTEOSA-N 444.582 1.416 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccccc2)C1 619819041 BSJCVEQHSYLXQA-APWZRJJASA-N 434.497 1.101 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2cccc(OCC#N)c2)CC1 727933592 ARSOSVSTOVZHLP-UHFFFAOYSA-N 429.502 1.851 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCS(C)(=O)=O)c1=O 729673101 DTZOKBZAQFYUAZ-UHFFFAOYSA-N 436.580 1.197 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3C)c2=O)cn1 732561623 RQVGBWPSDIXMFJ-UHFFFAOYSA-N 433.537 1.549 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)cc1 733675943 OXCNCCZNJWCUGQ-FQEVSTJZSA-N 434.477 1.799 30 10 IDEE Cc1cccc(S(=O)(=O)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 733853168 GTDZTABUIWDMBM-KRWDZBQOSA-N 426.454 1.577 30 10 IDEE CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224623 UJFOPSALMZMJDQ-QGZVFWFLSA-N 436.534 1.451 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCCN(c2ncccn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742552480 SYRQCQWALXUKLO-CABCVRRESA-N 428.518 1.079 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 753166351 BMUPTVLVASPZGT-PQORCFSTSA-N 435.525 1.849 30 10 IDEE CCOc1c(Cl)cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Cl 768164293 FGVBDZNZHCZZEW-PEZBUJJGSA-N 441.271 1.973 30 10 IDEE Cn1nccc1CCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 773978083 QYWLOKZKGMLHOF-LJQANCHMSA-N 443.529 1.875 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cc(C3CC3)[nH]n2)CC1 777852316 BUNHPKVQVZCPAS-UHFFFAOYSA-N 428.518 1.065 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br 780776370 JJKITQYZZDDZJS-ZDUSSCGKSA-N 427.324 1.768 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134800 UHCXYPHBGKILME-UHFFFAOYSA-N 446.536 1.075 30 10 IDEE C#C[C@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)c1ccc(Cl)cc1 810472072 CBSIKYACGYUKAI-KRWDZBQOSA-N 431.901 1.628 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2cccnc2C#N)c1 813309133 SPAAURABFPCMAE-UHFFFAOYSA-N 430.486 1.397 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 839377235 BNFJAGNHOOLSCN-UHFFFAOYSA-N 434.525 1.245 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 916775426 SJEYVYYDUVMGRB-UHFFFAOYSA-N 447.538 1.993 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1116562946 SGIFMLKLBWRXGF-QGZVFWFLSA-N 436.530 1.677 30 10 IDEE C#CC[C@@]1(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CCCN1C(=O)OC(C)(C)C 1126465077 UWYFJZQGECFWEP-AOMKIAJQSA-N 429.521 1.825 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[C@H]1c1nccn1C 1128605690 ZVZBFJQLBRDUCO-SFTDATJTSA-N 437.500 1.650 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](CO)Cc2ccncc2Cl)c1 1139726879 HLCHBNITDAQVPS-LBPRGKRZSA-N 425.869 1.752 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN([C@@H]3CCOC3)C2)c1 1141878181 PFQBBDLOIKABPM-HLNJFSBGSA-N 434.562 1.939 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 1150368159 RORSVKGEHCBMJA-UWJYYQICSA-N 445.516 1.736 30 10 IDEE C=CCC1(O)CN(C(=O)[C@@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1154873336 INXKINNQRBCXMB-OAQYLSRUSA-N 449.507 1.919 30 10 IDEE CS(=O)(=O)CC1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1159345652 PAMPNGVLDIZBDD-UHFFFAOYSA-N 441.575 1.225 30 10 IDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)C(=O)OC 1161364463 CUGLMAXACHYGNR-INIZCTEOSA-N 430.438 1.511 30 10 IDEE Cc1ccc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)cc1S(=O)(=O)NCC#N 1161868648 IXZUTIWPHSLAQD-OAQYLSRUSA-N 426.498 1.066 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1177758460 ACTRVXAKAALGGF-ZVDOUQERSA-N 433.574 1.148 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1179657046 ZVVSYLRHLIXTCK-CMPZQBNXSA-N 431.514 1.922 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CS1(=O)=O 1252736107 HJUKMNBMVZLTEO-KGLIPLIRSA-N 433.490 1.604 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1253401403 HYFHCQHFECWVSO-RDTXWAMCSA-N 426.502 1.238 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1286396883 WYZBISBPQDHTSD-KRWDZBQOSA-N 425.599 1.072 30 10 IDEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1286635029 HYKJZGHAJRNZTO-UZLBHIALSA-N 439.944 1.510 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1)C1CC1 1286732628 WSBCXQSALDPLJS-OAHLLOKOSA-N 442.549 1.672 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825093 LMZQYLBKPILYLD-FUHIMQAGSA-N 442.582 1.533 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1288553332 KRJAXKSLHQGUCO-ONQFOCNCSA-N 444.513 1.235 30 10 IDEE CCCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CC(=O)N(C)C1=O 1296901622 OPGJNQPBEKGUOF-YZEMWESSSA-N 432.521 1.769 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1300402687 CXMGEPWTMQSRBR-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(C)nc(N2CCCC2)c1 1300545883 YBBZRUMCTVCZBV-UHFFFAOYSA-N 431.544 1.825 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1300706344 KPNHVFWDHSOKBX-HXUWFJFHSA-N 440.523 1.683 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1300883558 CUNJAQZUPAJBFM-GGPKGHCWSA-N 433.553 1.448 30 10 IDEE C=C(C)Cn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1300965689 VZFUWDZDMLVPME-FQEVSTJZSA-N 441.598 1.757 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301259924 TZZIZUZVXOBNBU-MOPGFXCFSA-N 427.553 1.980 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCS1(=O)=O 1301278561 NPRWFDSXMHAEPQ-UHFFFAOYSA-N 439.563 1.006 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCNS(C)(=O)=O 1301351089 JADZRBSRPTWLJC-UHFFFAOYSA-N 431.497 1.616 30 10 IDEE C=CCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301474036 RKXOVMMQDRURNU-NRFANRHFSA-N 434.541 1.079 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1302458497 IBBMXWTVJNNPNS-CZIZESTLSA-N 445.568 1.602 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1302844996 HXWUWQZWGLILOI-DNVCBOLYSA-N 444.561 1.760 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(=O)N(C)C)n1 1304479444 YCZJEZNWZJNBMV-UHFFFAOYSA-N 431.504 1.330 30 10 IDEE C[C@@H](CC#N)NCC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1307886726 UFYAOBBTBZUWDW-PFSWGADMSA-N 432.527 1.624 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1 1310132000 XGQDCSVVJHXZAX-IRXDYDNUSA-N 427.548 1.677 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3CC)CC2)C1 1313280960 BXCTWXNTHNWSGB-PZJWPPBQSA-N 426.561 1.968 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1313993405 GPPCENKSXBSXIU-JOCHJYFZSA-N 436.520 1.147 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1314710994 UYHOCTFBAJJOAU-HNENSFHCSA-N 445.568 1.744 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1315827017 WBOWPEQBDNVOMX-SFHVURJKSA-N 430.484 1.772 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H](C)CN2CCN(CC)CC2)c1 1358901310 GRURZAAHWJCJFK-IBGZPJMESA-N 437.592 1.916 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1358929530 BVQAMNIGCCKKTG-IAGOWNOFSA-N 432.550 1.744 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358962519 RDESZOHHTSLCBT-XWSJACJDSA-N 436.578 1.819 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)C(=O)NCC2 1358984514 ZGGCXGQUYNEVSQ-FPOVZHCZSA-N 433.512 1.409 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1358986247 REUJBUKRHKNVFN-JOCHJYFZSA-N 448.589 1.749 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359081618 IEBIHFFGBJXEGK-HNNXBMFYSA-N 436.358 1.746 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ccccn2)CC1 1359297436 QCOLZXDIBNHYOU-UHFFFAOYSA-N 433.516 1.978 30 10 IDEE N#Cc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)ccn1 1467722623 MDVWGHXUSPQUBN-INIZCTEOSA-N 434.905 1.994 30 10 IDEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1469278720 CQEZOWXCAIMNGS-HNNXBMFYSA-N 445.520 1.849 30 10 IDEE N#CCNC(=O)CNC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 1478603164 WTKGRUQELNDLJD-UHFFFAOYSA-N 437.298 1.384 30 10 IDEE CCCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1501040113 FBNHATSXCTWEFW-RVKKMQEKSA-N 427.550 1.205 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1502694964 GWKCGQFKGSAMIT-YLJYHZDGSA-N 449.533 1.457 30 10 IDEE COC[C@@H](Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C)OC 1504593232 GYALSWGXBKUIFE-MRXNPFEDSA-N 430.557 1.477 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCC(F)F)CC1 1507723995 CMLGIMQQLVKTRC-UHFFFAOYSA-N 432.475 1.014 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC=CCO2)CC1 1507741034 SZDYZWZRDLXFMG-HXUWFJFHSA-N 437.548 1.451 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507755670 GSXKGHTVHSHQDS-KRWDZBQOSA-N 434.587 1.867 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1507758981 WVAYRAURHHFMFL-YYWHXJBOSA-N 436.578 1.681 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1507843166 JELXWNILXJDKAO-MRXNPFEDSA-N 430.488 1.078 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507957204 MCCLCGPUBRMWJB-UHFFFAOYSA-N 443.552 1.725 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1508081308 WVRPNAJNDWBASS-AOMKIAJQSA-N 439.520 1.746 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1509767717 JDYHKMJNOMTCEG-LJQANCHMSA-N 441.536 1.679 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C)O1 1512422650 VMCWZCAMJSRDFY-HOTGVXAUSA-N 445.545 1.370 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1516856964 CPJQDFBALCXHRS-RHWQADNGSA-N 442.589 1.742 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1519048316 CGXMGGLOCYWQMO-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE COCCN1C[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1519219591 GSRZUZQEHATLPU-VQTJNVASSA-N 438.532 1.287 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(=O)(=O)CC 1538973450 MQCDYYDWWAECCL-GFCCVEGCSA-N 443.371 1.443 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1539200634 MROCKHPTGWWOBL-JKSUJKDBSA-N 437.591 1.036 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539204146 ZERBPKFGTZEERS-QGZVFWFLSA-N 444.561 1.988 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539206984 YNAZLGYLFMJBMZ-WBVHZDCISA-N 448.545 1.624 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539318805 YLVDBKJDJXIILP-QUCCMNQESA-N 447.543 1.361 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1539326530 WSOFONHITFCQAZ-KRWDZBQOSA-N 429.427 1.635 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCOC1 1539377145 LZCMTVPNLKNGCG-DEOSSOPVSA-N 438.576 1.254 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539429629 BSLJSLOLSNLUAN-DLBZAZTESA-N 428.503 1.810 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(F)cc2)CC1 1539429649 BXIIINAKGAICJS-INIZCTEOSA-N 434.541 1.025 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](F)COC)CC1 1539469597 DBHSIVNSNNFMSD-GOSISDBHSA-N 429.496 1.904 30 10 IDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1540853533 WHMIFOODYKHGTA-UHFFFAOYSA-N 432.550 1.422 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1540873576 COBSVVCEGHKWPI-OALUTQOASA-N 429.613 1.528 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2OC)C1 1540881890 VVQBQZPSOMIVMN-HNNXBMFYSA-N 431.541 1.550 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1541106598 ZGVCOMYGHBULSC-LAUBAEHRSA-N 443.573 1.894 30 10 IDEE CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1541272741 PCVLIRJRLAQDIF-CRAIPNDOSA-N 439.520 1.731 30 10 IDEE C#CCN1CCC[C@H](NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1 1558328570 AVTQQMUOVLDGHY-KRWDZBQOSA-N 445.589 1.453 30 10 IDEE Cc1cc(O)nc(N2CCC(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n1 1558500542 AEGKGWNZKQQKOF-UHFFFAOYSA-N 443.529 1.967 30 10 IDEE C[C@@H](C(=O)Nc1ccc(I)cc1)N1CCN(C(=O)CC#N)CC1 1559847008 NFQAYQXCDCEHPC-LBPRGKRZSA-N 426.258 1.676 30 10 IDEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cnn(C)c1I 1561197145 QDSMLABAXLKRQA-UHFFFAOYSA-N 433.246 1.988 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC1 1565296223 LNBFRJTVBQXCBO-RZDIXWSQSA-N 432.546 1.886 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1583759145 NZUCCCCTLPCQEQ-SAABIXHNSA-N 435.521 1.600 30 10 IDEE C#C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C1CCOCC1 1586731073 ZSPZYUOZRFTPHN-OXQOHEQNSA-N 448.317 1.761 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1587638081 BHPNMPUYUQHURP-CRAIPNDOSA-N 433.534 1.576 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1587639155 KPUSDHIWIOYRCM-DNVCBOLYSA-N 445.545 1.147 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1588574504 KHYBWEWQLOKRHN-CYBMUJFWSA-N 449.562 1.027 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCCC1 1588595158 NMHBDBNHKKLGIB-UHFFFAOYSA-N 445.589 1.921 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@@H]1COCCO1 1588613374 YQSBDGVFMKZEAA-GOSISDBHSA-N 428.489 1.608 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccco2)CC1 1588779726 AOWSSFYDAMNUFK-UHFFFAOYSA-N 439.907 1.772 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](F)COC)CC1 1588955055 OXAVYJRJBKUMOU-MRXNPFEDSA-N 434.541 1.584 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC=C(COC)CC1 1595551982 ZBAKHCWHXMXRDL-LJQANCHMSA-N 425.489 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C(C)C 1595759101 DBCDNFMBNQEFSA-GJZGRUSLSA-N 433.600 1.114 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1595884912 WRNDQAKGWFCTOX-MRXNPFEDSA-N 445.611 1.841 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)C2 1595972713 RYZWPEPGJAPHMX-KRWDZBQOSA-N 429.473 1.615 30 10 IDEE CC(C)CCN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1606925198 XPRVZJDQVRDROL-VXPUYCOJSA-N 429.525 1.409 30 10 IDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648795 JNQSARPRWWZSBD-QGZVFWFLSA-N 437.518 1.485 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2c(c1)COC2 1611676825 DMGVQZLQCMZHFQ-CQSZACIVSA-N 430.534 1.707 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(N3CCCC3)CCOCC2)s1 1616653933 BQHVZLSYMFBGJY-UHFFFAOYSA-N 427.592 1.516 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)n1 1622097001 JHAZWZSKPXQGCQ-KRWDZBQOSA-N 426.539 1.016 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1622325124 KVIZSIUEBTXIOV-UHFFFAOYSA-N 449.298 1.653 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2CS(C)(=O)=O)cc1 1622886592 LSEYIXSWOUSPQO-INIZCTEOSA-N 429.564 1.924 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc[nH]n1 1627157210 MGCKALYNOSVDKR-SFHVURJKSA-N 447.467 1.022 30 10 IDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 1627845554 WQTLHAOOFWXZIF-UHFFFAOYSA-N 425.466 1.146 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)c2cccc(C#N)c2)s1 1629203137 AFNVBTFKJSIVQM-UHFFFAOYSA-N 434.543 1.586 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 1629977316 IFAYOURQGHCOOP-DLBZAZTESA-N 431.961 1.972 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1630789494 ZJJJZVOIIABDEL-UHFFFAOYSA-N 428.514 1.445 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1637388989 AFBAPMUOGHRKGU-VQHPVUNQSA-N 436.509 1.249 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)CC1 1643372743 ZNSLAAJHCDMAIC-UHFFFAOYSA-N 448.545 1.210 30 10 IDEE C=CCN(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@@H]1CCS(=O)(=O)C1 1644813433 MLOUMPPLUXNRRC-CYBMUJFWSA-N 425.576 1.730 30 10 IDEE C[C@](CO)(c1ccc(Br)cc1)N1CCN(CC(=O)NC2(C#N)CCC2)CC1 1648530670 JJFFABMGGBCDSR-IBGZPJMESA-N 435.366 1.837 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 1650846274 PQRCHCOOKFSIEO-UHFFFAOYSA-N 425.938 1.000 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3cc(Br)no3)CC2)cc1 1657749113 AXFZDDKQVAGPQS-CQSZACIVSA-N 441.307 1.349 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 1683534792 XBAFUFKFJUFGSU-UAPYVXQJSA-N 425.514 1.790 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1689893068 SWUQPHCHVQWQPJ-SFHVURJKSA-N 435.594 1.678 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690309737 JBMMPZSMYSWQCF-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1690480733 OQXYEYYYIULCPL-HXUWFJFHSA-N 434.548 1.993 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690668693 FISOXZDWXZOYQZ-UHFFFAOYSA-N 435.488 1.506 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690669453 FWBVJGQXTRAUCK-MRXNPFEDSA-N 438.598 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690725592 VORSFOLCNDTJGB-IAGOWNOFSA-N 426.583 1.852 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1Cc1ccc(C#N)o1 1694116119 VFMIKGIGXHZDND-HNNXBMFYSA-N 427.509 1.478 30 10 IDEE CCO[C@]1(c2nnc(N(C)CC3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1696042084 QFVDELKAHOFAEX-QIEZACGCSA-N 444.536 1.693 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1697007146 DJRMQMSHVWWXDJ-UHFFFAOYSA-N 439.520 1.169 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1698306926 PDSOPUQKUUCIOC-SFHVURJKSA-N 429.546 1.993 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1705492823 XQPVMMXEYWROJC-IHPCNDPISA-N 439.564 1.962 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705531653 RFZZHAZCTOFTDL-OAHLLOKOSA-N 440.529 1.229 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705565398 UNAZQIJEFCHMNF-QGZVFWFLSA-N 431.537 1.807 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1705567781 ZLZCKJKUHODMNQ-SJLPKXTDSA-N 449.602 1.806 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1705576786 QBHCZXMJQKFTKB-FQEVSTJZSA-N 446.324 1.986 30 10 IDEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1705665285 PTBHLRCTHNUEMX-IOMROCGXSA-N 436.578 1.681 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1705747181 HJHGEBHDGVCOOU-KGLIPLIRSA-N 441.941 1.917 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705896127 CAHOKRMEGLLLPV-HDICACEKSA-N 437.548 1.664 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705906265 YHFDXIATNRGDSQ-KRWDZBQOSA-N 426.550 1.113 30 10 IDEE COC1CCN(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1712059645 FASDLSFXGVQHAG-OAQYLSRUSA-N 435.548 1.748 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1712346990 DFKGNKQRKHVKJO-INIZCTEOSA-N 432.550 1.571 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1722276914 JOTPOVROUJEJLR-NSHDSACASA-N 429.344 1.433 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1722292801 ASQHARNSVIGFBG-XLIONFOSSA-N 438.557 1.931 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1722362867 WRZRWGPKADEBOQ-MRXNPFEDSA-N 432.550 1.425 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722382998 MBQNLSSRHREAHU-DLBZAZTESA-N 449.577 1.508 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2CC)CC1 1722447519 IYOOZTUMULGAKC-VQTJNVASSA-N 428.581 1.622 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722453512 VVMOATNGDNXVOH-GOSISDBHSA-N 445.593 1.874 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1724010683 SJJYTKGRENABOS-LSDHHAIUSA-N 434.566 1.225 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1727650782 ABFIWMVQWIDPLH-QGSQVHNNSA-N 449.515 1.495 30 10 IDEE CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C(=O)OC(C)(C)C 1729518402 ACKJZVLDRYXQEW-VLIAUNLRSA-N 435.504 1.928 30 10 IDEE COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730492424 JNZUNLWAENMISW-LJQANCHMSA-N 436.495 1.842 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1740657093 PGQHRFPJGVNUOP-FQEVSTJZSA-N 435.484 1.112 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@@H]1C 1740676545 GQKPSIRRSPPHFB-FXCLAUTBSA-N 427.480 1.548 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](OC)C(C)(C)C)CC1 1740693360 ZIJCUKPWSQKTAT-HXUWFJFHSA-N 449.563 1.737 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740867485 LVNZSBILDFGDIE-SFHVURJKSA-N 432.569 1.990 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740885262 CAJJDIZFJXMMQC-QGZVFWFLSA-N 444.561 1.846 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(C1)OCCO2 1740926057 QPLZWZACMVBSAI-CVEARBPZSA-N 425.555 1.610 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)n1 1740940302 ACEOWQFWZZFNFV-UHFFFAOYSA-N 436.520 1.654 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc(O)cc2C1 1740952152 WBWFCYKNJQPSOK-UHFFFAOYSA-N 433.472 1.496 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(C)(=O)=O)C1 1740979496 JIBFEFOZMLNIIJ-AWEZNQCLSA-N 444.517 1.420 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1741082893 FNYQQENSXNEQKP-IBGZPJMESA-N 449.519 1.515 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)C1 1741990566 FHVIUOULBWLQBV-OAQYLSRUSA-N 444.561 1.733 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCOCC(F)F 1743241462 ZYCMTVCSTBJWJE-CABCVRRESA-N 448.478 1.440 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747596713 LIIHKHAULAVENT-OAQYLSRUSA-N 434.548 1.572 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748811045 ANUFHJRFOKIWLV-MOPGFXCFSA-N 444.605 1.785 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748825235 WRYNKHMSDDZZQM-QZWWFDLISA-N 442.607 1.380 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748921230 YTAABHYTWKMGEH-NRFANRHFSA-N 440.529 1.140 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1748922864 OOZUHRVFDHRGIF-QGZVFWFLSA-N 436.516 1.940 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C)n2)CC1 1749015945 TZYJIJXTOQIWNB-UHFFFAOYSA-N 449.559 1.312 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccn2)CC1 1749459748 RDBXWLNUTZRFGJ-UHFFFAOYSA-N 425.537 1.715 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1749682954 DTHKMYWTLCUOTM-QGZVFWFLSA-N 444.561 1.846 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1760195140 XFAVQBHEOXUGHA-APWZRJJASA-N 443.598 1.992 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(=O)Nc1ccc(F)cc1 1760201502 FEUODVSUJPURJI-UHFFFAOYSA-N 434.431 1.856 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCSC2)n1 1760251900 GZROTRMYWJROTL-OAQYLSRUSA-N 441.561 1.624 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1760261576 UBUHLDHBWFYLNJ-RDPSFJRHSA-N 441.624 1.666 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1760280562 KPJHCCLGTAUZJN-GOSISDBHSA-N 432.594 1.144 30 10 IDEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1760405144 MVKQEDVEWMYYHZ-UHFFFAOYSA-N 430.534 1.680 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1)C1CC1 1760476644 BBEGDJLUBCEYPY-JZXOWHBKSA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760525402 DUMQNOGYPQCLOY-MRXNPFEDSA-N 437.591 1.636 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760843917 MJNIBJKGHYKXQZ-GOSISDBHSA-N 436.520 1.193 30 10 IDEE CC1=CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762154305 PKOXHJGIHVZKHJ-ZPHPHTNESA-N 425.493 1.197 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1767278220 CXULUTGFXCPSID-KSFYIVLOSA-N 440.504 1.635 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)c1 1768809516 CHMHAXPGDJLRLO-GOSISDBHSA-N 433.534 1.897 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769393282 TYODUTXDWSYOQI-UHHPSXQGSA-N 428.493 1.461 30 10 IDEE COCCN(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1771078152 HQQCBUXLPWCULW-QFIPXVFZSA-N 440.527 1.927 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCOC2)c1 1771343689 HPEBHMOPCOXGAO-QGZVFWFLSA-N 429.502 1.424 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC=CCC2)C1 1771362346 YVYOFPNJKCFEDC-BXWFABGCSA-N 438.529 1.409 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772789310 DGYFROPCJKQICL-INIZCTEOSA-N 434.495 1.841 30 10 IDEE CCc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCO[C@H](C#N)C4)CC3)CC2=O)cc1 1848477047 IPRPUYNROLRYRW-TZIWHRDSSA-N 438.528 1.591 30 10 IDEE Cn1c(=O)ccn(CC2CCN(C(=O)C3CCN(c4ccc(C#N)cc4)CC3)CC2)c1=O 1851691763 FBVXSFMCKKSMKB-UHFFFAOYSA-N 435.528 1.574 30 10 IDEE CCC(=O)N1CC[C@H](C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)C1 1852793831 SSPIADQRJZGCCT-ZDUSSCGKSA-N 425.942 1.592 30 10 IDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@H]1Cc2cc(F)cc(Br)c2O1 1853196872 PJNSLNGPPPPJMC-LLVKDONJSA-N 438.209 1.578 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1(C#N)CCOCC1 1853385174 BFLJVVLYBVUUOJ-LBPRGKRZSA-N 430.324 1.552 30 10 IDEE CC(C)N(C[C@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1854067824 AVJUWUQMTJSHFK-UXHICEINSA-N 431.558 1.763 30 10 IDEE COc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)CC#N)C2 1854249839 RIEPLCRIGZYHSF-UHFFFAOYSA-N 425.466 1.772 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)COCc1ccccc1 1856130523 VAPWSVALKWKXML-UHFFFAOYSA-N 427.482 1.853 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)CC1=O 1856806362 ZSTJJPFEWLZWPO-WBVHZDCISA-N 436.530 1.866 30 10 IDEE CC(=O)Nc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCNC=O)C2=O)cc1 1863188079 REUVLIZVGCVEFY-UHFFFAOYSA-N 431.452 1.845 30 10 IDEE CN(C)CCCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3ccccc3C#N)cc2C1=O 1868130259 GPIMONOLOLAATD-UHFFFAOYSA-N 433.468 1.474 30 10 IDEE C=CCNC(=O)c1cc2c(N3CCN(C(=O)OCC)CC3)ncnc2n1CCCOC 1873586851 OUWSCUDNBSIDBR-UHFFFAOYSA-N 430.509 1.662 30 10 IDEE C=CCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593322 ATOCOZYTUMFPEW-INIZCTEOSA-N 427.505 1.869 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c([N+](=O)[O-])c2)CC1=O 1874279344 ABDRRUZXLYFJBF-NPNVKNKFSA-N 448.505 1.973 30 10 IDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 1874337953 MCOSCEPWGHESSP-OOMAIKSQSA-N 432.506 1.176 30 10 IDEE COC(=O)N1CCC(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)CC1 1891157821 PLWOTRMLBDICEJ-UHFFFAOYSA-N 448.608 1.502 30 10 IDEE O=C(O)[C@H](CS)NS(=O)(=O)c1cc(Br)sc1Br 1995663733 CJWWLNKIYPMMFK-VKHMYHEASA-N 425.145 1.934 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2006227829 HRDDZQUQSHQONX-DOMZBBRYSA-N 425.345 1.983 30 10 IDEE CCN1CCN(c2c(C=C3SC(=S)N(CC)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2053511425 SNFIDELOEBEPAF-UHFFFAOYSA-N 431.587 1.928 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)OC1(C)C 2243387305 RKJJLQPRVOBDEJ-IAGOWNOFSA-N 440.309 1.896 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(F)F)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255597782 SRMIFQBTLICJFR-UHFFFAOYSA-N 444.288 1.941 30 10 IDEE Cn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255622975 HULPPYNQGNNJAK-HNNXBMFYSA-N 434.346 1.752 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)n1 2255636084 PMBOIFRKDFXYAM-ZDUSSCGKSA-N 436.318 1.483 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 2255701278 OWPFZVXEUXVBCA-QFIPXVFZSA-N 425.342 1.509 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c21 2256620804 NAGPJFDFEMHZGD-MRXNPFEDSA-N 432.326 1.761 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2257643524 UPTOKHSHSXKCAS-CQSZACIVSA-N 438.330 1.927 30 10 IDEE Cn1nc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267130788 SEHQPVNTBLNSIY-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267479033 GUBJKZSBODHSMX-IAGOWNOFSA-N 447.341 1.745 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@]1(C)CNC(=O)OC(C)(C)C 2267581563 SONQZMXASILQAH-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 2268629841 BXLXVLLBQBBLAE-SFHVURJKSA-N 446.353 1.756 30 10 IDEE C=CCN1C(=O)C(=Cc2cc(I)c(O)c(OC)c2)C(=O)NC1=S 2297329219 MSZBKRAPNJJVFX-UHFFFAOYSA-N 444.250 1.818 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)n1 2315406373 DRSXKGMAXGGGLV-UHFFFAOYSA-N 433.314 1.543 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2352402887 VFFZZWHGMOUUMJ-UHFFFAOYSA-N 443.313 1.803 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2367834680 UEXBHYHQGVFIRY-XQBPLPMBSA-N 434.558 1.755 30 10 IDEE COC(=O)CN1C(N)=C(C(=O)OC)[C@]2(C(=O)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 20568327 BRODFPXRBFPEOU-QHCPKHFHSA-N 440.452 1.461 30 10 IDEE COc1cccc(N/C(=N\C(=O)c2ccc3c(c2)OCO3)NCCN2CCOCC2)c1 46133751 YSCSPYFYZRYLJS-UHFFFAOYSA-N 426.473 1.954 30 10 IDEE C=CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 72389200 SGTKDDRCBLYDGM-SQJMNOBHSA-N 448.523 1.470 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(N3CCC(C(N)=O)CC3)=NC(O)=C2[C@H]1c1c[nH]c2ccccc12 72443877 LGXLTPUOFKPVSP-CZUORRHYSA-N 431.456 1.256 30 10 IDEE N#C[C@H]1C(=O)N=C2NC(N3CCC4(CC3)OCCO4)=NC(O)=C2[C@H]1/C=C/c1ccccc1 72444394 AQWSVHHQRRDSFH-YMPXZSTISA-N 433.468 1.962 30 10 IDEE COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H](C)n1cnc(C#N)n1 409782976 DTZIFIJHYFGJMQ-BONVTDFDSA-N 445.277 1.855 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccccc3O)C2=O)cc1 436728555 AXPLTRUHOPNOGW-WOJBJXKFSA-N 432.480 1.786 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 437935018 QXOZXMWBZAUELH-DYXWJJEUSA-N 444.580 1.532 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@H]4CC[C@H]3[C@H](C(=O)OC)[C@@H]4C(=O)OC)cc2C1=O 439816298 XGTIWIQJEYAMSR-LUKYLMHMSA-N 426.425 1.034 30 10 IDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)n1 443325981 ZNHUBDKOURMFDO-UHFFFAOYSA-N 438.366 1.431 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCCOc2ccc(C#N)cc2)CC1 461144742 FHHVVEVAIGWQQO-UHFFFAOYSA-N 431.518 1.494 30 10 IDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN(c2ncccc2C#N)CC1 468251902 QTQJZXKMBFZXMP-UHFFFAOYSA-N 436.516 1.219 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n(C)n1 470224082 QLHKIMJMRBSMBI-NVXWUHKLSA-N 430.534 1.052 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 490265495 AGHLASOWZAYRDB-MOPGFXCFSA-N 426.542 1.867 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1cc(C)ccc1C 537395217 XTRRRRXPHBZGRG-UHFFFAOYSA-N 434.521 1.477 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(C)c2=O)c1 538497041 WBWXZMFIHWUATM-UHFFFAOYSA-N 435.461 1.274 30 10 IDEE Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 561011875 TZEFJBUXSFGOTH-UHFFFAOYSA-N 426.477 1.771 30 10 IDEE CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 603798872 OZALMTKLCPALAS-LJQANCHMSA-N 437.565 1.994 30 10 IDEE C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)N1C(=O)NC2(CCCC2)C1=O 608813585 FWLNIJOJKDDLSZ-CJNGLKHVSA-N 441.513 1.651 30 10 IDEE COc1ccccc1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 616172834 AUOZEAALXCNNEI-UHFFFAOYSA-N 428.514 1.825 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCOC 726574187 BLIRNIVGOKYIOK-OAHLLOKOSA-N 437.525 1.255 30 10 IDEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669427 PJPZAZKJKFVIPQ-UHFFFAOYSA-N 431.477 1.305 30 10 IDEE N#C[C@H]1CN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CCN1C1CC1 732700549 IYSTZLHXEMZHML-KRWDZBQOSA-N 434.338 1.951 30 10 IDEE COC(=O)CCSCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732707117 VYKSELWRYDMRGV-GOSISDBHSA-N 430.530 1.620 30 10 IDEE Cc1cc(Br)cc(C)c1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 735080472 HMJGPZWNHVLKTJ-PEZBUJJGSA-N 428.308 1.871 30 10 IDEE CC(C)(CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 749387735 LIVPXKINKJQFKA-WOJBJXKFSA-N 426.565 1.190 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 753914129 LYLFKMMJAJBUOL-UHFFFAOYSA-N 444.538 1.099 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 756889443 DWIOKTZZHXLZNG-CGTJXYLNSA-N 448.545 1.715 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 758151612 MWKGCWOAHQKMEF-UHFFFAOYSA-N 437.521 1.835 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc2c1OCC2 758457871 SHQOJSTUJLAOGV-ZDUSSCGKSA-N 434.333 1.195 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C[C@H]1CCCO1 758556042 FHUNBYQOAHIJQC-CQSZACIVSA-N 446.598 1.696 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 765737760 ZEEQFWIPOOVQDI-MOHJPFBDSA-N 444.517 1.538 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 779618881 HKTIUBGHSALLOU-LJQANCHMSA-N 426.565 1.495 30 10 IDEE COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3cnccc23)c1=O 782919824 UBZMDRKRZZWLFC-UHFFFAOYSA-N 436.537 1.380 30 10 IDEE COc1c(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cnc2c1cnn2C 784818558 UCSMOARKFVAXIN-UHFFFAOYSA-N 439.375 1.986 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)n1 790107559 FJIPBOFCZLBPIQ-UHFFFAOYSA-N 429.521 1.382 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 812180056 SNAYHMHVANYXKH-DLBZAZTESA-N 446.552 1.974 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1F 919075934 ZBHLXWXNKMHMJU-IAGOWNOFSA-N 440.493 1.617 30 10 IDEE COC1(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CS(=O)(=O)C1 1125176205 RCETYZBUKWRICV-SILNSSARSA-N 443.547 1.032 30 10 IDEE COc1cc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)ccc1C#N 1136273642 AWLGBXPDRBOCQD-SFHVURJKSA-N 429.498 1.954 30 10 IDEE N#Cc1cn(CCC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c(=O)nc1O 1143409466 HKOQBAIKZOQTOM-HNNXBMFYSA-N 433.262 1.573 30 10 IDEE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1154570907 LZLKZDLOLDQEPU-ZBFHGGJFSA-N 437.518 1.122 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)c1 1175979955 LBUZGXWPWOLOHT-CALCHBBNSA-N 429.502 1.561 30 10 IDEE CO[C@@H]1COCC[C@H]1CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1228753272 ISDANJRCKZIOEA-OXJNMPFZSA-N 426.521 1.918 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1286387955 JEVRTILSLGVRBH-SJORKVTESA-N 446.529 1.726 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1286600048 IFCZBHWNAWWZDJ-HNNXBMFYSA-N 429.587 1.875 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@H]2c2nncn2C)nnc1[C@@]1(OCC)CCOC1 1286613834 GOSCCADCWPNCTK-LAUBAEHRSA-N 431.541 1.993 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286711957 VCXRFIXFCONMEA-UHFFFAOYSA-N 437.552 1.774 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1)C1CC1 1286732049 IOPHOYZPSDWTCR-VPWXQRGCSA-N 439.582 1.771 30 10 IDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1286760849 SCKROTQUVQASGB-OAHLLOKOSA-N 435.575 1.883 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286781371 RBTPUPODAPBBSN-RBUKOAKNSA-N 445.612 1.521 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNc1ccccn1 1288825454 FGZOXVZXRAUNRS-KBXCAEBGSA-N 436.517 1.227 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(OCC(F)(F)F)cc1)c1cc[nH]n1 1290491009 KXDTTYSJEVJPKJ-UHFFFAOYSA-N 428.367 1.951 30 10 IDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1294506061 GYRNTMINIWCVAL-OAQYLSRUSA-N 439.564 1.890 30 10 IDEE CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1297813188 JHLXBDOZLCZBLF-KIWSCRHPSA-N 426.546 1.741 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C)c1cc[nH]n1 1298012307 VKCSKIJPHBLPNY-UONOGXRCSA-N 427.461 1.176 30 10 IDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)C1CC1 1298037036 FUNUTJVVFCRVGL-UYAOXDASSA-N 437.548 1.771 30 10 IDEE CC(C)NC1(CO)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1298203254 FAXOWOVGDKVEDD-UHFFFAOYSA-N 448.589 1.310 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)C(C)C)c1 1300332786 OATOTHATNZZQAH-MBSDFSHPSA-N 438.532 1.692 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300428901 SLOYRAASPGBVDS-UHFFFAOYSA-N 436.564 1.169 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300449773 XUJLBCGUTZYPLM-SFHVURJKSA-N 438.532 1.686 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1300486778 AZUWTZWHUPYLTP-RBUKOAKNSA-N 444.605 1.642 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300487463 JSRUWEDFFYAAHX-QGZVFWFLSA-N 425.514 1.957 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300492050 LHQJZLNEHLTHKA-IBGZPJMESA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1300496106 OCGCFEYZRFOLLM-JKSUJKDBSA-N 446.520 1.818 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1300690929 LKSURYLOKWVDFR-UHFFFAOYSA-N 431.500 1.251 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCCC2)CC1 1300731927 ISWLYIVTMQWZGL-AZUAARDMSA-N 428.581 1.827 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](OCC(C)C)C1 1301496496 BOJFOTRDABBPMH-HNNXBMFYSA-N 430.509 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301589126 NZNIVPLVJSRPTN-DLBZAZTESA-N 440.566 1.157 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 1302925114 XHUGGOBEZVYSEL-CYBMUJFWSA-N 446.342 1.694 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1303003307 FESFMDFPVRMBAK-AEFFLSMTSA-N 426.477 1.036 30 10 IDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2 1306892138 AFFDZHPVZDNPRF-UHFFFAOYSA-N 425.397 1.049 30 10 IDEE COc1ccccc1Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1315625687 BEGOVFFDRFXVQJ-NRFANRHFSA-N 446.577 1.947 30 10 IDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(O)(C(F)(F)F)CC2)o1 1316533797 DVLMUYWWRUOLOB-UHFFFAOYSA-N 438.410 1.807 30 10 IDEE CSc1cccc(N2C[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)c1 1351734936 DJXIJOCQLNTECP-CYBMUJFWSA-N 426.502 1.831 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358958631 SFOFWOHJZMJUMC-YJBOKZPZSA-N 446.533 1.430 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1359010139 HMGVFRNQDWDIRF-MAUKXSAKSA-N 427.596 1.356 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1359010281 LMVAEEDGESGTHP-FQEVSTJZSA-N 445.589 1.930 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCSCCCO)CC1 1359043211 LTOJQIWCFJFFSC-UHFFFAOYSA-N 430.578 1.365 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCCC2)CC1 1359044319 BZHFAWOYRQYUNA-HXUWFJFHSA-N 428.581 1.624 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1359203149 JHZVIPGNAJDDJD-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359291049 CKEADARMUOLJSZ-FPOVZHCZSA-N 446.596 1.713 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)CCO1 1359447116 OSZZHPFULDEUKA-OAQYLSRUSA-N 438.532 1.975 30 10 IDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1445127118 IMVIIMFRAQARMP-UHFFFAOYSA-N 444.351 1.833 30 10 IDEE COCCN(CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OC(C)(C)C 1447230157 WMSNRPKCHSBXKE-UHFFFAOYSA-N 443.497 1.736 30 10 IDEE C[C@@H](Sc1nc(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1)C(N)=O 1448832737 BBNSAOWGWQUCRE-WBMJQRKESA-N 443.554 1.440 30 10 IDEE CN(C)CCN(CC(=O)N(C)C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1453118434 AVRCCVDRWGXJLC-UHFFFAOYSA-N 436.354 1.235 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1456937008 UHZYQUPDBLYRMI-IIBYNOLFSA-N 443.573 1.710 30 10 IDEE Cc1ccccc1C[C@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1459208482 FGYHANXZWSHUAV-INIZCTEOSA-N 440.500 1.279 30 10 IDEE COc1cc([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1S(C)(=O)=O 1479583007 HOAQPMDWCFPSKV-OAHLLOKOSA-N 443.529 1.958 30 10 IDEE CO[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503936931 BCRROQXBLWIMLJ-JFIYKMOQSA-N 426.525 1.931 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCCN2CCOCC2)cc1 1505316426 YYGGUIHTXFAPOZ-FQEVSTJZSA-N 437.548 1.631 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(S(=O)(=O)NC)c1 1507512254 DBNHCBBXLOARSG-OAHLLOKOSA-N 446.577 1.611 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@]2(O)CCO[C@@H]2C)c1 1507550232 VKXDVYWQNFIAPO-WAIKUNEKSA-N 447.499 1.331 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1507659848 GQHZYHVEOUZZCN-CQSZACIVSA-N 435.579 1.144 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1507660711 YHPNMDZWHGPKBG-MOPGFXCFSA-N 434.610 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)N2CCOCC2)CC1 1507733828 MGUBIOGDZILSJV-UHFFFAOYSA-N 430.597 1.652 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507790927 FRWHYLLRJONBRF-AABGKKOBSA-N 448.612 1.945 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CCC)CC1 1507852716 CPNGDRNKVXJDKB-CYBMUJFWSA-N 432.978 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2cccn2)CC1 1508139836 DVTRADRBDYUELF-LJQANCHMSA-N 448.593 1.886 30 10 IDEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1509090770 ACJWUPUTHOUBQT-OFNKIYASSA-N 440.548 1.657 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCN/C(O)=C1\N=CC=CC1=O 1518455056 GXIKFHIAAYUSNB-YWBAYFEHSA-N 449.515 2.000 30 10 IDEE COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 1519185421 JXIAUVMFPBGTBQ-ROUUACIJSA-N 427.509 1.242 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1519372702 HIYZOAFMVNPPQE-UHFFFAOYSA-N 448.474 1.830 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1O 1520625371 YKXHBRPGOMNCJT-QAPCUYQASA-N 429.546 1.991 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)c1 1535253488 VNLRHQOYJJJVRO-IBGZPJMESA-N 449.511 1.036 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539213450 ZNXGJUPZNTVZNI-LJQANCHMSA-N 427.530 1.868 30 10 IDEE C#CCN(c1nnc(CC)n1CCNC(=O)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1539220886 VYCQLHPHBXDTOJ-QGZVFWFLSA-N 447.536 1.345 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(N2CCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1539220944 XHPPQEFJUQYSSR-LJQANCHMSA-N 442.589 1.901 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1539239724 PXTAZCJOOVSNRV-HZPDHXFCSA-N 433.509 1.568 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N1CCOCC1 1539307533 UYBSZVOVTKZBFP-UHFFFAOYSA-N 441.919 1.929 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1COCCO1 1539414654 XVPBCASICKCMRZ-MRXNPFEDSA-N 438.488 1.485 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)OC)CC1 1539476763 DSHRAMKYLLFTHI-UHFFFAOYSA-N 442.520 1.397 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(F)cn2)CC1 1539484320 LAGIIZQZCGOGBN-UHFFFAOYSA-N 433.491 1.812 30 10 IDEE C=C(Br)Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539609778 RRXALNCTYFOCPU-SFHVURJKSA-N 442.358 1.929 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539643958 YJWAHMFGTLUGQY-JZXOWHBKSA-N 427.571 1.266 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1540872919 FWJOJKBYAKZEMA-QGZVFWFLSA-N 439.545 1.909 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540875620 RSWFADNGXXZACB-HNNXBMFYSA-N 444.561 1.548 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1541057207 PDVYTGRVVFFDEE-BSBNDGSWSA-N 441.536 1.425 30 10 IDEE Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543274499 YOFDYPKGDSCTPS-IJYGLTAASA-N 441.467 1.695 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1545061816 WLEGGCZQGFVZDI-IRXDYDNUSA-N 440.504 1.201 30 10 IDEE CCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(=O)NCCOC)C1 1548368135 WZOKOIBJFOIGRN-QGZVFWFLSA-N 442.438 1.393 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1554297114 HKEQZRQJRPWLHC-UHFFFAOYSA-N 439.545 1.974 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C[C@@H]1C 1554559328 XXOTTXHIHCPDPB-AOMKIAJQSA-N 440.504 1.899 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1554689048 CEJCOFTYMZWKBN-KMAZBDISSA-N 444.536 1.704 30 10 IDEE COC(=O)[C@H]1C[C@H](O)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1559969532 IDGWQNOAQSPDJH-YJBOKZPZSA-N 428.464 1.899 30 10 IDEE Cn1cnc(-c2nnc3n2CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C3)c1 1560077259 GCERMQOQCUGHPG-UHFFFAOYSA-N 443.433 1.681 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)CC1 1563326315 VNWHHKOQZDAESD-UHFFFAOYSA-N 449.411 1.539 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 1563557237 UMYJDTKLNAHKBO-FQEVSTJZSA-N 430.505 1.710 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1564964337 AVRLTGYFKBWNAC-HOTGVXAUSA-N 428.470 1.351 30 10 IDEE C#CCN(CC(=O)NCc1cccc(S(=O)(=O)NCCOC)c1)C(=O)OC(C)(C)C 1565851294 UOPBSEFQEWRDSS-UHFFFAOYSA-N 439.534 1.098 30 10 IDEE N#Cc1c(F)cc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1F 1567951935 RZPNLCJPYSDEEB-UHFFFAOYSA-N 439.415 1.926 30 10 IDEE C#CC[C@@H](NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)OC 1570221295 JXMXBJVZXRUDTP-OAQYLSRUSA-N 448.475 1.663 30 10 IDEE COCCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C(C)(C)C1 1585241126 VNKHEDZCXBNTAN-SFHVURJKSA-N 427.505 1.332 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1587028014 ZDSXWAJQRNQQIP-AWEZNQCLSA-N 437.497 1.551 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1587562113 LKKZLYVIKMOTTI-CABCVRRESA-N 433.534 1.556 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@H](C)C1 1588083779 JUXLKGJURVPOFK-FHWLQOOXSA-N 434.610 1.329 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)Oc2cccc(F)c2)CC1 1588806181 ITGPWFPYGHZEFG-ICSRJNTNSA-N 440.523 1.981 30 10 IDEE C=C(Br)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 1589303892 ABHJCJGTTISLHQ-UHFFFAOYSA-N 430.104 1.881 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589528038 CJJZDKAFLBVCDW-RYRKJORJSA-N 432.550 1.730 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCn2ccnc2C)CC1 1594241384 OQWRSIPYUJFXHJ-GOSISDBHSA-N 449.581 1.219 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1595523573 ZBRDOKPFXFIIGJ-UHFFFAOYSA-N 446.515 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC)C1 1595824067 WGDDINHEMJJVLY-LJQANCHMSA-N 445.545 1.945 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1596832730 YHTJACODAHMEFI-CQSZACIVSA-N 430.463 1.917 30 10 IDEE CC(C)(C)c1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)on1 1597174582 CLSNSBVPPMLQEV-YJYMSZOUSA-N 436.513 1.956 30 10 IDEE CN(C)S(=O)(=O)CCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598482324 ATXLMENJESCCAX-HTQZYQBOSA-N 432.333 1.897 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1632083930 VPKZIUIVQCDCRJ-INIZCTEOSA-N 444.963 1.931 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CC[C@H](O)C2)CC1 1633356192 RRWZVTUXLOMQBU-HKUYNNGSSA-N 448.589 1.197 30 10 IDEE Cn1c(NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1640432091 UIMANOGCUSEZLF-QGZVFWFLSA-N 431.415 1.700 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCc2c(F)ccc(C(=O)OC)c2C1)c1cc[nH]n1 1641495949 RWVZBUORTNAJSC-UHFFFAOYSA-N 432.408 1.204 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1641843820 WGIBWUJNBOBRJE-ZWKOTPCHSA-N 442.541 1.877 30 10 IDEE C[C@H](CC(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1642586721 KEMWNHLQPXWXEJ-BLVKFPJESA-N 428.470 1.367 30 10 IDEE C[C@@H]1CS(=O)(=O)CCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1648399398 HDSWCALQGNMNFT-SJORKVTESA-N 448.589 1.865 30 10 IDEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790605 NTLYNHBRLWEGFI-UHFFFAOYSA-N 439.472 1.585 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1648878286 UOGSRXXARGWANP-HNNXBMFYSA-N 441.513 1.067 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 1683312025 GNLGNHDUTIGSLG-UKRRQHHQSA-N 427.885 1.416 30 10 IDEE O=C1C=COC2(CCN(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)CC2)C1 1683734644 MRFNTSQJTWOUOI-UHFFFAOYSA-N 433.530 1.469 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1689993957 OFXDKBLXTCPXRO-VQTJNVASSA-N 442.589 1.232 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690099928 QRNDHOHOZCIZRK-UHFFFAOYSA-N 439.520 1.614 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(Br)cn2)CC1 1690135184 QPVIXMQHLCWXAB-QGZVFWFLSA-N 448.369 1.934 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690182701 DQRBEKIMAWEKEL-FQEVSTJZSA-N 443.621 1.665 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1690254906 KWWKFIFCUVLYDS-RFWXGWTQSA-N 447.580 1.970 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)cc1 1690669655 LIFFSHUUOVXREA-HNNXBMFYSA-N 447.337 1.930 30 10 IDEE CCOC1CC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)C1 1696203690 FRMBRKSXNJQLQB-UHFFFAOYSA-N 439.520 1.985 30 10 IDEE Cn1cc(C[C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C2)cn1 1696856157 CNCFVENCECWKAT-KRWDZBQOSA-N 439.545 1.664 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCSC1 1705556377 GXVGYIVAIMQMKX-QHCPKHFHSA-N 440.617 1.580 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1 1705618253 ZDDYDMMTBQEYFA-OAQYLSRUSA-N 432.546 1.429 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1705628370 DYCKGAUXSLENOE-LAUBAEHRSA-N 438.594 1.598 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C(C)(C)C)CC1 1705636035 VSSHKJIWMNMYJC-UHFFFAOYSA-N 439.520 1.771 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705658597 UQWYWKVMEXRTQN-UHFFFAOYSA-N 427.578 1.884 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1705889636 PFBWQTCFQQPMEQ-CQSZACIVSA-N 437.522 1.222 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705894923 OFDOTJCXQAWMQQ-MRXNPFEDSA-N 449.519 1.030 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)NC)CC1 1705904586 SRTPCNCYTFVWAG-GOSISDBHSA-N 440.504 1.055 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(CS(C)(=O)=O)CC2)C1 1705927387 XTTCIJMLWBTENE-GOSISDBHSA-N 431.562 1.870 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1709938550 QIZBTTQHDPCELF-SFHVURJKSA-N 430.534 1.356 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1712620521 NQAOOSZTCBIUBM-SFHVURJKSA-N 440.504 1.203 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCC(=O)N2)c1 1722304742 FKKZQHVFYOTRNM-LJQANCHMSA-N 429.484 1.675 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722366619 JFCKMWDAUVUDGX-RBUKOAKNSA-N 444.557 1.660 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722366863 SATCBBVLMLBQAZ-LJQANCHMSA-N 429.546 1.317 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)CCCN3C)CC1 1722430112 XIPJEZQKCFMMNA-UHFFFAOYSA-N 435.576 1.602 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722433580 AQRXXELQWBXCDU-ICSRJNTNSA-N 440.504 1.660 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)[C@H](C)CC)CC1 1722440129 CYDAMTKYQVMULM-GOSISDBHSA-N 443.621 1.755 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCOC[C@H]2C)CC1 1722445152 SNAPMXFQJOOTOZ-WSTZPKSXSA-N 447.580 1.641 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722538203 VIMJDNRXBIGRLP-SQNIBIBYSA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(C)C)CC1 1722695330 ZYNUWEZQVBNQQE-UHFFFAOYSA-N 440.504 1.281 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722701561 UWPBLJJCJMFNDH-VSOVRNOCSA-N 425.533 1.799 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@@H]1COc2ccccc2O1 1722737060 RLEMYDCXPADCNL-KRWDZBQOSA-N 430.490 1.869 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1723941082 FACWDFXKCKGAKO-TWOQFEAHSA-N 449.581 1.914 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1724278650 AFSQLZSHILHBEO-OTWHNJEPSA-N 427.505 1.743 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1729022723 FSJNBNIXSKLRLV-IERDGZPVSA-N 429.500 1.925 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1740532333 DMBBIZBISRDCKL-GJZGRUSLSA-N 433.534 1.360 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2(C)CN(C)C2=O)c1 1740564858 ABVJDKPACBVFOA-JPYJTQIMSA-N 436.516 1.664 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740623201 PURWZPPUYJKABU-ROUUACIJSA-N 429.546 1.702 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1740651133 ZREAZHWZIALJMX-KRWDZBQOSA-N 440.525 1.614 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccs1 1740661001 MFOSHYUKABCGMF-HKUYNNGSSA-N 441.557 1.957 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740668300 JPVINCJDEAUETK-QGZVFWFLSA-N 431.518 1.171 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740693866 PIDLAKOMGZQAMM-UHFFFAOYSA-N 437.592 1.985 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740743722 CBYVKPGTZFXUIL-KBPBESRZSA-N 448.387 1.898 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(CCOC)no1 1740743767 DQURMDHDZCBNHK-GFCCVEGCSA-N 427.303 1.899 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1740939079 QHWJMMOLBKUKQZ-UHFFFAOYSA-N 443.504 1.562 30 10 IDEE C=CCOc1ccc(Cn2c(Nc3ccn(C)n3)nnc2[C@@H](C)NS(C)(=O)=O)cc1 1740968846 PUOUTTOZWVHTRB-CQSZACIVSA-N 431.522 1.979 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)CCOCC2)C1 1740972604 KJDQKLCVKMJQSG-HOTGVXAUSA-N 427.571 1.486 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740991468 XFAGJQFYXYXCAG-SFHVURJKSA-N 447.561 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740991582 ZWTLYNXNPGARFI-UHFFFAOYSA-N 449.499 1.651 30 10 IDEE CC(C)(C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741165745 AVNVNXFUXAGXDF-DNZUHHBVSA-N 429.525 1.194 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C(N)=O)nc1 1748803264 QBYUDMSWRGMGFV-IYBDPMFKSA-N 439.520 1.660 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748817845 RKDFOYJVRIIEKF-OALUTQOASA-N 444.557 1.856 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749375768 HUUVSTYVYNEMOZ-IERDGZPVSA-N 444.467 1.744 30 10 IDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749406110 AADZTXBIZIGNJJ-GOSISDBHSA-N 440.552 1.969 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1749488104 ISWVJRPXQSFQKU-ABSDTBQOSA-N 439.582 1.438 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(C)C)N1CCOCC1 1760110770 GXMDWQNPZDHQMC-WMZOPIPTSA-N 428.537 1.821 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1760185621 ACLCPVHWRQZKQN-SFHVURJKSA-N 429.546 1.217 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccnc2OC)CC1 1760255814 APYCHONNMLYDQR-QFIPXVFZSA-N 426.521 1.137 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760524879 MEYZCDYFPCJKGQ-PXNSSMCTSA-N 442.539 1.467 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1760553088 LDLCIVBWUGASJZ-OAHLLOKOSA-N 428.518 1.084 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1765031127 CTPYSJHUGTZEDT-MMDITIQOSA-N 427.509 1.380 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[S@](=O)C(C)(C)C 1767422823 CWQXWMKUQFLSDP-NDEPHWFRSA-N 437.591 1.845 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1767571038 AIGOEIGKHFRFPI-NPMXOYFQSA-N 435.532 1.646 30 10 IDEE CCOCc1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767908317 QIYYAEQKCUMMJT-FMQUCBEESA-N 445.568 1.652 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1769273950 YUQRPIQBJQUORK-YLJYHZDGSA-N 433.509 1.816 30 10 IDEE CC(C)(C)[C@@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)N1CCS(=O)(=O)CC1 1852940631 ISHJYWAXBZXFSV-HXUWFJFHSA-N 448.589 1.716 30 10 IDEE COc1cccc(C#N)c1OCC(=O)O[C@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1853071140 UAHCLKNOBPDWLK-RBUKOAKNSA-N 449.463 1.501 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN(C[C@H]4CCS(=O)(=O)C4)CC3)CC2=O)c1 1855070838 SMPWWWKPMQXIKG-XLIONFOSSA-N 429.542 1.694 30 10 IDEE N#Cc1ccc(CCC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1 1855471163 PIKYEGRFVQMNHL-SFHVURJKSA-N 428.466 1.974 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)[C@H]4CCCS4)C3)CC2)CC1 1857127595 SSJROGJSUBZXSR-PKOBYXMFSA-N 432.590 1.731 30 10 IDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@H]2CCOC2)CC1 1857373780 QVAPKKUJVKBGJR-MRXNPFEDSA-N 431.514 1.843 30 10 IDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(O)c(O)c1 1862607425 OANFVRMMTGLJGG-NSPYISDASA-N 427.409 1.828 30 10 IDEE CCCS(=O)(=O)Nc1c(C#N)nnn1-c1ccc(C(=O)NCCN(CC)CC)cc1 1870098225 SZKITMFPNQZHLI-UHFFFAOYSA-N 433.538 1.362 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NC[C@H]2CCCO2)sc2c1CCC2 1872649954 VQJIAXYSWQZWSW-LLVKDONJSA-N 431.474 1.347 30 10 IDEE C=CCN(CC=C)C(=O)c1cc2c(N3CCC(C(N)=O)CC3)ncnc2n1CCOC 1873560101 NGAOZSHRNZKFDZ-UHFFFAOYSA-N 426.521 1.594 30 10 IDEE CC1(C)OB([C@@H]2CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)C2)OC1(C)C 1891607731 ZRXSNCJYQWDNPK-CQSZACIVSA-N 434.323 1.781 30 10 IDEE N#Cc1nccnc1OCC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 1892216088 PYTQDDXBWUEVKZ-UHFFFAOYSA-N 426.454 1.934 30 10 IDEE Cn1cc(I)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1902299698 UOULDUUSMBBROY-LLVKDONJSA-N 431.278 1.970 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 2054376671 KBUHEAVVRINWOO-QCNOEVLYSA-N 431.274 1.956 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124516506 STHIMWPMQFJXOO-HUUCEWRRSA-N 448.329 1.475 30 10 IDEE C=CCn1ncc(NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2137068784 XVSJYBJSHJBCTA-UHFFFAOYSA-N 429.315 1.833 30 10 IDEE C#CCn1ncc(NCc2c(I)cnn2C)c(Br)c1=O 2189870624 QNHGFOYFFQIUPY-UHFFFAOYSA-N 448.062 1.589 30 10 IDEE CC1(C)OB(c2ncc(CNC(=O)CNC(=O)OCc3ccccc3)s2)OC1(C)C 2241556658 ZOFKYGOONZCLAX-UHFFFAOYSA-N 431.323 1.985 30 10 IDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2244988533 PLJSTSZZCIFRAV-LBPRGKRZSA-N 435.468 1.799 30 10 IDEE Cc1sc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247921821 WCKONMYLBXHCTQ-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2248441330 LHZCQNCJNKWVRS-UHFFFAOYSA-N 439.343 1.799 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(N)=O)C1 2254792575 WNEHOVZAEPBFAN-UHFFFAOYSA-N 432.330 1.515 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12CC[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255626681 IZLMBXGFWAPSPY-YEJXKQKISA-N 432.330 1.838 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)[nH]n2)OC1(C)C 2255627564 VDXWRQNQQOWVPU-QGZVFWFLSA-N 426.326 1.340 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2255696533 VKGMDBZEDBEBMM-BJWYYQGGSA-N 429.326 1.976 30 10 IDEE Cc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2255739266 HMTOAFMWLSDQIL-UHFFFAOYSA-N 444.362 1.970 30 10 IDEE C[C@H](CCOCc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255950380 MKUCXDIVOVMXIN-MRXNPFEDSA-N 449.382 1.993 30 10 IDEE Cn1nc(C(=O)NC[C@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267134635 SCYMWALMMNUKSV-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2267143871 OCIVNONGIKKFKH-MOPGFXCFSA-N 438.337 1.434 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1CCO 2267278187 ZHZNIPXOAPFYJH-MRXNPFEDSA-N 449.357 1.758 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2267597202 OZEGKAJPDCBBCS-MJBXVCDLSA-N 447.345 1.242 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 2267604922 JMMZXDUZLZKBGP-KGLIPLIRSA-N 449.361 1.680 30 10 IDEE C[C@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)S(C)(=O)=O 2282305045 SMWHGXFNYPRBDR-SECBINFHSA-N 443.805 1.412 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@@H]2CCCC23OCCO3)OC1(C)C 2282500990 QRPKBDXESFBQER-MRXNPFEDSA-N 427.303 1.699 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)n1C 2315524556 SGWCMFSVIPODER-ZDUSSCGKSA-N 436.318 1.308 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C 2315533789 NTDMNRFMEPQQKD-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2315612021 UPMGCTOWIJALPK-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE C[C@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2319291392 RERIDXKPCFTSBH-CQSZACIVSA-N 449.338 1.383 30 10 IDEE CC1(C)OB(c2cc(F)c(F)cc2NS(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2379821109 JFEQLCXCWJRKPT-UHFFFAOYSA-N 431.266 1.911 30 10 IDEE CC(C)C(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 26380757 BKLFKMZMIXTKQE-UHFFFAOYSA-N 447.561 1.221 30 10 IDEE O=C(O)c1cccc(N/C(=N\C[C@H]2CCCO2)N2CCN(CC(=O)N3CCCC3)CC2)c1 46022168 SSRVXMCPAOULQM-HXUWFJFHSA-N 443.548 1.572 30 10 IDEE CC(C)N1C(=O)C[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409515329 TTYVFFPWXIFDAO-OWQGQXMQSA-N 444.916 1.588 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)CC1 429516259 IBEWWPNPPWZQFW-UHFFFAOYSA-N 442.520 1.400 30 10 IDEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)c2)c1 442259096 BGZTZCAYYIFGPJ-HXUWFJFHSA-N 436.468 1.175 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccccc3Cn3ccnc3)C2=O)cc1 443198617 CIVVZJWHLIYSMB-HXUWFJFHSA-N 435.509 1.882 30 10 IDEE CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)c2)CC1 443314049 ATQGHSYWDJSVAG-UHFFFAOYSA-N 425.533 1.735 30 10 IDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462093085 OFQGUWNPEHTXJH-MRXNPFEDSA-N 436.520 1.736 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)cc1 474566686 JFQIOZNYSBCICZ-UHFFFAOYSA-N 429.502 1.485 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@H]1CCCO1 477433033 GEYSNJLEPVXOJB-CYBMUJFWSA-N 433.555 1.188 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 478759340 XICZCCPBNPTFNN-AEFFLSMTSA-N 442.512 1.727 30 10 IDEE COC(=O)CC1(NC(=O)Nc2ccc(C#N)c(Br)c2)CCS(=O)(=O)CC1 487936518 RVPGEYHXMBVNPE-UHFFFAOYSA-N 444.307 1.953 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)s2)c1=O 530653532 BJDOIZGAOIGDII-UHFFFAOYSA-N 441.534 1.668 30 10 IDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542070320 QHDSMZFHEXAAIZ-NSHDSACASA-N 433.881 1.436 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1Cc1ccccc1 544081534 YBFSWMQZKXQSTJ-UHFFFAOYSA-N 447.545 1.454 30 10 IDEE CC(=O)N1CCCc2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc21 545477808 AWKPTGLFHWQLJP-UHFFFAOYSA-N 425.514 1.763 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)CC2)n1 546918951 VJGIQDALOLISCN-UHFFFAOYSA-N 434.500 1.709 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCN(CC(F)(F)F)C(=O)C1 561544278 HCSHFEPNCJEJKA-UHFFFAOYSA-N 426.214 1.716 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1cc(OC)cc(OC)c1 573528070 RDTJMXUHKMDPKO-QGZVFWFLSA-N 437.522 1.582 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(OC)cc1 578265208 CNYYYPXTBMCRFJ-SFHVURJKSA-N 435.550 1.832 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1 588869697 QNPIEIZPVPVLJU-UHFFFAOYSA-N 433.452 1.824 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1C[C@H]1CCCO1 609431457 YBCQRTPSMGABEL-QGZVFWFLSA-N 448.548 1.666 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2C2CC2)c1=O 674333732 GRVVTSDISBHWMW-UHFFFAOYSA-N 435.549 1.748 30 10 IDEE CC(C)CN(C(=O)COC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 728345082 AOTBFSKRAKUBRX-WOJBJXKFSA-N 447.557 1.742 30 10 IDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC1CC1 730137098 CXGLXVFYIBFMNY-SFHVURJKSA-N 445.589 1.527 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 734271132 DNAIMFPMURTKNV-ROUUACIJSA-N 437.585 1.651 30 10 IDEE CCN(CC)C(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 746856447 NVRXQVDEIWAVOJ-UHFFFAOYSA-N 434.562 1.612 30 10 IDEE C#CCN(C(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@H]1CCS(=O)(=O)C1 751275739 XEFZTLVLZSIJKS-NSHDSACASA-N 434.333 1.115 30 10 IDEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 756911036 IIWUSZYGWUMENN-UHFFFAOYSA-N 435.546 1.532 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(c3nnc4n3CCC4)CC2)[C@H](C#N)C1 758765986 DDFOOUHHRUWURV-HZPDHXFCSA-N 429.525 1.872 30 10 IDEE Cc1c(I)cccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 760571856 BNYVCSDBPPFWIZ-JQIJEIRASA-N 425.226 1.856 30 10 IDEE C[C@H](CC(=O)N1CC[C@H](OCCN2CCCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 769278503 ZUHMTIKINBIBJX-MSOLQXFVSA-N 448.589 1.607 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)C1=O 771440161 OPBPYUQACDJFAD-FGZHOGPDSA-N 444.488 1.368 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(CCc2nnnn2C)C1=O 771545539 WRYNSBGLKBYVTN-OAHLLOKOSA-N 431.522 1.308 30 10 IDEE COC(=O)c1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1Br 775382272 HBXRKCBTOHLHDT-CCEZHUSRSA-N 437.250 1.884 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN3c3nccs3)CC2)o1 782317708 XBTMGQAJRTXLBE-OAHLLOKOSA-N 430.490 1.172 30 10 IDEE COCCN(Cc1scnc1C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 787684486 NCSXBFOJAXGCKW-CYBMUJFWSA-N 436.559 1.944 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCC2(C)OCCO2)C1=O 790754608 IQCIAJBGWKWLPO-OAHLLOKOSA-N 440.591 1.901 30 10 IDEE CCOC(=O)C1(COC)CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 796566705 FJWDOLQONFGDTJ-MRXNPFEDSA-N 426.473 1.803 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2C[C@@H]2CCCO2)cc1C 808130672 FRRWABOREYOQPT-IBGZPJMESA-N 448.548 1.825 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCOC1(C#N)CCOCC1 809081952 UXMOMGIFAORPHT-UHFFFAOYSA-N 438.502 1.262 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1c(C)nn(C)c1C 914767903 TVVDBBQPHZEBFW-SFHVURJKSA-N 431.562 1.993 30 10 IDEE CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OCC)C(=Nc2ccc(C(=O)OCC)cc2)S1 1084355475 BUGDWTJNKBORSI-HNNXBMFYSA-N 435.502 1.884 30 10 IDEE C=CCN(C(=O)[C@@H]1CSCC(=O)N1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1124608729 QFJOWFDKUQXADQ-HNNXBMFYSA-N 437.568 1.964 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)cn1 1130701276 PPSXDCSOGYVZTL-OCCSQVGLSA-N 426.395 1.947 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1135819925 KTKBPTRKLFBKFF-SJORKVTESA-N 429.583 1.567 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)s1 1142363473 HULRPWGKDFGTPX-MRXNPFEDSA-N 427.592 1.468 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2cccc(OC)c2OC)cc1OC 1144585150 JPGQJTDRAQKQFX-HNNXBMFYSA-N 449.485 1.380 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC)C(=O)OC 1161726997 GECZXPGEAOUNND-CQSZACIVSA-N 431.493 1.581 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)COc1cccc(Br)c1C#N 1167216478 WSMQKISNYRXKDS-LJQANCHMSA-N 438.322 1.432 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C)c1cc[nH]n1 1180074585 YDRKNCDMVMFIKI-QKKBWIMNSA-N 449.508 1.599 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2COC3(CCOCC3)O2)cc1Br 1188600648 IBQVELDYXJTXDO-LLVKDONJSA-N 435.271 1.660 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)C1=O 1276036338 PNYALGXIQVTXND-UHFFFAOYSA-N 435.849 1.686 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnnn1C 1286291093 VSLFQGPCODHMSK-OAHLLOKOSA-N 431.504 1.700 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)COCCO1 1286459204 JJAIQSNVKPHHBK-GOSISDBHSA-N 438.326 1.927 30 10 IDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCS(C)(=O)=O)CC1 1286473445 SSGMARKIUIKWQQ-UHFFFAOYSA-N 427.574 1.548 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1286483491 NDROCXVYKGPNGC-WOJBJXKFSA-N 428.581 1.751 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1286683708 XYQLJWHBIJKQNF-INIZCTEOSA-N 427.571 1.630 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286709996 KAGURDXOFDHYHH-GJZGRUSLSA-N 430.475 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1286822256 BQWZPLFKJKDCQJ-IBGZPJMESA-N 445.545 1.804 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1293241506 DBZKJVNUUGWDJM-FQEVSTJZSA-N 448.531 1.810 30 10 IDEE COCCCn1nc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccc1=O 1297323041 PTJUKQSLQDUGCQ-IBGZPJMESA-N 429.908 1.956 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1297364735 WMINMMGVKQNFTJ-LSDHHAIUSA-N 436.538 1.654 30 10 IDEE CN(c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1298181836 DJFMRCCMKJVABO-VEGAHXMMSA-N 436.516 1.815 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[C@H]2OC)C[C@H]1O 1299413766 RDPFXSZJXINLBL-UAFMIMERSA-N 439.516 1.992 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1299484418 SDDLHGFIBJKIMF-PMACEKPBSA-N 430.464 1.982 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1300531921 JMGPROQXBJUFDF-ZWKOTPCHSA-N 438.557 1.437 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300948856 DZDNAYZCPSKJTB-MSOLQXFVSA-N 439.582 1.727 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1302139828 KJMCMUMKBOLDBV-QGZVFWFLSA-N 439.520 1.828 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)S1 1305174672 JZLYNQJJMYNANB-XLNHPTAMSA-N 445.549 1.086 30 10 IDEE C=CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 1309662532 YMZRUKIOVLLAFX-UHFFFAOYSA-N 430.548 1.111 30 10 IDEE CCN1CCN(c2ccc(Cn3c(-c4cnccn4)nnc3N(C)C[C@H](C)C#N)cn2)CC1 1313932133 GGBWVCMAOYBUFF-GOSISDBHSA-N 446.563 1.916 30 10 IDEE CS(=O)(=O)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1316335999 IDNFRRDHLPPKKD-MRXNPFEDSA-N 435.937 1.828 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2cccc(CC#N)n2)CC1 1320359884 VZDNKKTYFMADFE-UHFFFAOYSA-N 434.543 1.371 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1358992070 YPXLPZLJAGIIJJ-UHFFFAOYSA-N 435.513 1.154 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCOCC1 1358992147 BEYYLJCLCYDMNX-UHFFFAOYSA-N 432.484 1.598 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1358999049 BCGLHRGCTCIMSK-UHFFFAOYSA-N 428.512 1.900 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccoc1 1359019859 JLBFSCWDMQEFII-UHFFFAOYSA-N 443.529 1.923 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@H]1C 1359259285 QYGAQWBLNHVVOW-LRXVAGHRSA-N 446.573 1.913 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1359286545 AHPDNVFHKKCCEB-IBGZPJMESA-N 426.521 1.625 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359302733 RMQUTTAETCZJDK-JOCHJYFZSA-N 426.521 1.340 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1359321110 AFRAXXAOAGBALN-ROUUACIJSA-N 447.561 1.520 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCO[C@@H]1CCOC1 1360679322 UCHLIVAYOVKRFR-DOTOQJQBSA-N 440.570 1.214 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1450330840 WEDFBKHDXYKVHN-KRWDZBQOSA-N 436.530 1.856 30 10 IDEE Cc1cnc(OC2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)nc1 1452652718 FYHLVKKAZFAEQK-LJQANCHMSA-N 448.483 1.932 30 10 IDEE C=CC1(CC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)CN(C(=O)OC(C)(C)C)C1 1456471226 FXZTUMMWBNGWGG-UHFFFAOYSA-N 443.552 1.793 30 10 IDEE N#C[C@]12CN(C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1463163201 MITYOVMUYCWASS-MIZPHKNDSA-N 437.521 1.945 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)C2=O)cc1 1467707996 SVHDBBCADHZRMC-DHLKQENFSA-N 432.524 1.802 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1CCN(O)C1=O 1468373565 DTMRIAQYHQSIHX-MSOLQXFVSA-N 443.504 1.474 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1496474232 AQUHVTDUVHDYRO-QZTJIDSGSA-N 432.550 1.440 30 10 IDEE CCCN1CCCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1501008159 CDKSKDIAHNZOTN-BSBNDGSWSA-N 443.552 1.767 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1505318627 OMTMTHABKRJECE-KEYYUXOJSA-N 432.422 1.835 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507566514 JTQCYSPYRDQDRN-UHFFFAOYSA-N 441.605 1.838 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507638556 GFEJFYMRWRQKRK-MOPGFXCFSA-N 445.589 1.742 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1507676980 SMJVOGUKFDYQAH-UHFFFAOYSA-N 434.479 1.904 30 10 IDEE C#CCN(CC)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507690473 YZIVMXBXIMMGTP-QZTJIDSGSA-N 430.578 1.947 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)CC1 1507731806 POIRJJYZXPKMSZ-INIZCTEOSA-N 435.500 1.262 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1507759517 ITSZRHPZWMLHJS-RYLXDESZSA-N 436.578 1.753 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]1c1nncn1C 1508085152 DJXBPBUNLATRHW-QGZVFWFLSA-N 436.520 1.650 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1516400479 DTETXHTZIPPMFC-TZQQIIETSA-N 431.468 1.655 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2c2cccc(Br)c2)C1=O 1528931128 IKZMNMASQOTXLU-AWEZNQCLSA-N 436.262 1.326 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C)c(C)c3C#N)CC2)c1 1529919370 BKHHSXIWWOZURM-UHFFFAOYSA-N 429.502 1.842 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3cc(Br)ccc3OC)CC2)C1=O 1529939530 KRQVGICXKIPCCG-UHFFFAOYSA-N 436.262 1.540 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1534147234 ZAHFMHLQBOQZGM-OAHLLOKOSA-N 427.954 1.434 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1538962362 IIFQCPOKQCEBIK-SFHVURJKSA-N 438.576 1.879 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539015357 PHTAAJYPZKPWRA-WNRNVDISSA-N 437.610 1.526 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1539016104 SXAIZHKVKJFWKN-HOCLYGCPSA-N 444.540 1.714 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(S(C)(=O)=O)CC1 1539145997 VQASCSAVVYLIQA-UHFFFAOYSA-N 435.937 1.508 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)CC 1539391259 AIQAISOLMNMRQL-UHFFFAOYSA-N 447.536 1.614 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2c(C)noc2C)CC1 1539484282 JVEQYYZBYWCLDO-UHFFFAOYSA-N 433.516 1.883 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539511240 VLHDAMQCBNFPKR-QGZVFWFLSA-N 439.545 1.488 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1540069843 YNWXHJLZODKQLF-CQSZACIVSA-N 443.533 1.640 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3COc4ccccc4O3)CC2)cc1 1540647548 AFMIOMNTSQTIMM-QGZVFWFLSA-N 427.482 1.621 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540874058 UGRHKADFZPLFPK-SFHVURJKSA-N 431.562 1.379 30 10 IDEE CSc1nc(O)c(C(=O)NCc2nn(C)cc2I)cc1C#N 1543617948 QHHJQYXQECMMGQ-UHFFFAOYSA-N 429.243 1.649 30 10 IDEE CC/C=C/Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1546794220 UIESKQCZHFVYFT-WHLIDYPQSA-N 441.561 1.740 30 10 IDEE COc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1555020233 FYHFTCAQNDBOQE-OXJNMPFZSA-N 433.509 1.873 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1555961606 TUWJITFGEJOPNO-DAYGRLMNSA-N 427.509 1.288 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(CC(=O)OCC)n1 1557274456 BIGJCQSSTROJSZ-HNNXBMFYSA-N 447.517 1.682 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1570731192 BCVRDPGCIGQZRN-UHFFFAOYSA-N 433.490 1.292 30 10 IDEE C#CCOCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2cccc(F)c2)C1 1572870810 FWXDDLNOGJJLFN-FIQGOXITSA-N 426.488 1.700 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(CN2CCOCC2)c1 1588024834 NLALWJQGZHUUFM-VXKWHMMOSA-N 439.560 1.952 30 10 IDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1594824969 SZXWITNXJADFJA-SFHVURJKSA-N 438.488 1.962 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)COC(=O)N2 1595490299 PBBAAGMEGQKWHT-UHFFFAOYSA-N 430.896 1.980 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNS(C)(=O)=O)C1 1595682200 YNTVFHHGGONBRZ-MRXNPFEDSA-N 425.942 1.929 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1595738667 SGMLYQORBURIEE-WMZOPIPTSA-N 442.495 1.778 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1595845539 VQMPLDVERWTESW-CYBMUJFWSA-N 438.579 1.471 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3cn4ccccc4n3)nnc2N(C)[C@H](C)CC#N)CC1 1596296529 GPPLOUOOWGZYCC-GOSISDBHSA-N 449.563 1.419 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1597705671 CWBSGCPKMFVZBB-JWRCQZCYSA-N 449.602 1.987 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1610131131 SULIUTWOHQNHCK-NRFANRHFSA-N 449.559 1.808 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2)C[C@@H](C)O1 1611531904 IXMMQHVKZBKMCJ-IAGOWNOFSA-N 448.541 1.962 30 10 IDEE CCc1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)s1 1613848370 COPZEENQLGMVLT-CQSZACIVSA-N 438.579 1.614 30 10 IDEE N#Cc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2nnnc2Oc2ccccc2)c1 1614587364 JECISGJVUAPUME-YRXWBPOGSA-N 433.428 1.866 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3c(C)nn([C@H](C)CC)c3C)[nH]n2)CC1 1615209398 PLPXNNOORKBASZ-MRXNPFEDSA-N 439.564 1.758 30 10 IDEE COc1ccc(CN2/C(=N/c3ccccc3)S[C@@H]3[C@H](C(N)=O)C[C@H](O)[C@H](O)[C@@H]32)cc1 1616175233 SBOHTMZECCKYNI-OHEBPWOBSA-N 427.526 1.896 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1618762560 SAOSHYOYOCCJBV-ZZEZOPTASA-N 441.467 1.183 30 10 IDEE NC(=O)C[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620365446 BJDPAGWTJAXIBK-AYAKEVCGSA-N 441.536 1.554 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 1620637785 FEYRMCALMXBHAY-AQNXPRMDSA-N 433.597 1.868 30 10 IDEE CS(=O)(=O)C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccccc1 1623627275 ICJYTPNSMMDFDW-KRWDZBQOSA-N 428.514 1.901 30 10 IDEE COCCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1631259872 DDSXVIGJOKGHAB-HOTGVXAUSA-N 431.555 1.626 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OCC 1633296872 IVRPJQOZOHDHNC-CQSZACIVSA-N 433.324 1.985 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1noc2c1COCC2 1635602610 UFAFSVRAQNHGPJ-OAHLLOKOSA-N 432.502 1.517 30 10 IDEE C=CC1(CC(=O)NCC(=O)NCC(=O)NCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 1637722830 LKRGKCNWPICPCP-UHFFFAOYSA-N 444.532 1.348 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1637937336 GDJKRXGEXFEECL-VBKZILBWSA-N 430.486 1.215 30 10 IDEE C#CCN(CC(=O)NN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC(C)(C)C 1643791541 BGTAVWFFJTVDDC-UHFFFAOYSA-N 436.262 1.947 30 10 IDEE C=CCC1(O)CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1644943200 SOYZBGVLWMMMSW-UHFFFAOYSA-N 438.546 1.188 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(CS(N)(=O)=O)CC3)C2)C1 1648531099 OFAZARIKHNNIAG-LFDOHDQPSA-N 440.566 1.300 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCC(c3ccc(C#N)cn3)CC2)ccc1C 1655169794 DHILLVOAUYLXDZ-UHFFFAOYSA-N 427.530 1.988 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 1657625882 PJTJKYTUHHUVLW-UHFFFAOYSA-N 443.529 1.871 30 10 IDEE CO[C@@H]1C[C@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)Cc3cccnc3N2C1 1659769025 VTIJHVIYXLHUHP-PWRODBHTSA-N 426.565 1.183 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CO1 1672358925 VYGLKOUQMUIWMD-IRXDYDNUSA-N 429.477 1.509 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccc(Cl)cc1F 1674036667 SCXWLVVXGXTUIO-OAHLLOKOSA-N 425.873 1.593 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 1684363090 LIDRKKFFHBTTCM-CTNGQTDRSA-N 448.575 1.385 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCN(CC)CC1 1689954231 QAQXVXGXMAXSPI-UHFFFAOYSA-N 448.579 1.408 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689988955 ZJGPTABLUZNNAB-MJGOQNOKSA-N 445.593 1.037 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCOCC2)c1 1690011936 JSTNPAFXXISJAY-UHFFFAOYSA-N 427.512 1.688 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1690104635 CAAMRNIOLPXMRB-HNNXBMFYSA-N 438.500 1.668 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690170203 BRAOJLLGIRXVLI-CVEARBPZSA-N 429.550 1.746 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)CC1 1690396538 FNNOGCLPVGBDES-DOTOQJQBSA-N 433.582 1.750 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 1690663553 ZWRSXUAHWOHVAS-HNNXBMFYSA-N 431.294 1.739 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690669452 FWBVJGQXTRAUCK-INIZCTEOSA-N 438.598 1.346 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2nccs2)C1 1690672725 AYQFSEQXJJPSRG-INIZCTEOSA-N 425.518 1.601 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1 1691015776 GAXBHVBPIUYEIM-ZIAGYGMSSA-N 428.522 1.251 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1CCC[C@@H]1NC(=O)NC1=O 1696676015 FOCFMMVFCFTKGZ-IBGZPJMESA-N 444.499 1.760 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCC1(O)CCOCC1 1696689067 DVQWPDAWNOPYAW-UHFFFAOYSA-N 438.532 1.840 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N 1697021450 SLDZNPXBWOVDLF-LLVKDONJSA-N 444.359 1.334 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1698215398 NKUVLVXNXDTBHV-PMACEKPBSA-N 438.532 1.975 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CC2)c1 1705506054 YZIRMZCDGOCKLG-YTTGMZPUSA-N 449.540 1.702 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCc2ccccc21 1705612148 AMHLPZNUPKSKBO-AZUAARDMSA-N 443.573 1.801 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCNc1nccc(C(F)(F)F)n1 1705626984 PXURPLVMTTUAON-UHFFFAOYSA-N 447.425 1.742 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1705699719 KVOWHBPQPUOWDL-ZCNNSNEGSA-N 447.580 1.742 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705868845 DBLGYONUOSRIMV-INIZCTEOSA-N 445.549 1.385 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705929987 CMJHHCPSVKSAEY-UHFFFAOYSA-N 449.537 1.632 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1706462084 BETIUGUSOFRTOS-OXJNMPFZSA-N 436.582 1.425 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS1 1706608165 HTWFRUXUVKALPE-HNNXBMFYSA-N 427.534 1.847 30 10 IDEE CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1709619845 GHEPMMVHUHPUQA-QGZVFWFLSA-N 445.593 1.882 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)C[C@H]1O 1711459648 CIJOPKQBTYQKQV-HMFYCAOWSA-N 427.505 1.584 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1)OC 1712151133 FUJQBFJHQCAXHK-IBGZPJMESA-N 427.505 1.864 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1722276215 GIGHYKUVJQQJDR-MGPUTAFESA-N 449.602 1.521 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1722299963 VHOJQCSWOGUFKH-CQSZACIVSA-N 426.912 1.797 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1722369494 AAWAQEGZBBNGDR-QZTJIDSGSA-N 445.545 1.598 30 10 IDEE C=CCCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722606221 IACNUIQDFDHAPK-GOSISDBHSA-N 438.532 1.669 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1722740884 VACFKLDZOKZGCQ-KRWDZBQOSA-N 438.561 1.742 30 10 IDEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1724134579 UMDLXFTXJVOGNV-FUHWJXTLSA-N 447.565 1.118 30 10 IDEE C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1726723189 VNXSMKRMMGTAEP-ZDUSSCGKSA-N 439.501 1.449 30 10 IDEE CCN(C)C(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1728267653 DPEAZKSNVFYVGR-ZSDSOXJFSA-N 449.531 1.969 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1729433171 QOZBZSICKMBMBK-HXUWFJFHSA-N 437.504 1.904 30 10 IDEE C#CCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740571047 WHVODAVUKHOJMZ-OAHLLOKOSA-N 444.898 1.688 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1740636431 ZHEPICNOVCBWCF-QGZVFWFLSA-N 442.541 1.860 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1740645464 NNQUKRUTGAJFFQ-MBSDFSHPSA-N 442.564 1.490 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(S(C)(=O)=O)CCC2)CC1 1740694089 YCBUNAPDRUHMBT-UHFFFAOYSA-N 427.574 1.976 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCOC(C)C)CC1 1740705414 GVJSHGFBXOKKIT-UHFFFAOYSA-N 442.520 1.397 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCn3cc(C)nc32)CC1 1740707866 SYYDPJPJZDKBSJ-LJQANCHMSA-N 439.564 1.863 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1740721188 ZWPDXPQHOBKLMK-UHFFFAOYSA-N 434.591 1.295 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(N(C)C)CCSC2)CC1 1740833422 PHQZYMNJFJWMBE-DNVCBOLYSA-N 442.655 1.728 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1740924071 FSJAHSUKRIAJLP-IBGZPJMESA-N 443.596 1.491 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccs1)C(C)C 1740960640 WVFVFQNKOCTQRS-OAHLLOKOSA-N 437.591 1.959 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cscn2)CC1 1740961553 FDAWTBVIFACPBP-UHFFFAOYSA-N 438.561 1.345 30 10 IDEE CC[C@H](C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1743848500 CGLGUSPRTIAAKG-PVHMMBIOSA-N 429.525 1.628 30 10 IDEE CN(C)CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C#N)CC1 1747598723 CEMBSCMCCAGFFE-UHFFFAOYSA-N 445.593 1.978 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748002314 UGVGHUIIUOAWBH-SKOAFDGASA-N 430.509 1.314 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CCO1 1748205858 AHVOVXMXJBBNCW-AZUAARDMSA-N 449.515 1.664 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CCO1 1748213248 ZEKXBWKVWJBQHG-LJQANCHMSA-N 446.515 1.665 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CC1(O)CCS(=O)(=O)CC1 1748686504 QMOHCHJXOVBCJG-KRWDZBQOSA-N 446.573 1.817 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](COC)OC)CC1 1748984895 VIJDPPHTFXBAIV-SFHVURJKSA-N 429.521 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)N(C)CC)CC1 1749011148 WHXWLEJXEMUQAA-UHFFFAOYSA-N 426.496 1.528 30 10 IDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749042929 BICYBTMWSAPOGJ-LJQANCHMSA-N 443.573 1.390 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749119234 PCOFRRITHYKDRM-TVFCKZIOSA-N 442.582 1.607 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749401600 AMVOXDBKDMODCV-RBUKOAKNSA-N 437.610 1.695 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1749413700 XLFKOKRYWFOFJC-HNNXBMFYSA-N 426.587 1.549 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749459328 GGOYMPILIHPWGO-UHFFFAOYSA-N 444.580 1.975 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1749653108 WEINWJYTLYYZQP-GJZGRUSLSA-N 443.483 1.073 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCSC2(CCOCC2)C1 1749676044 BVSLDIUOJJCQSI-UHFFFAOYSA-N 428.562 1.669 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1749730613 KREAGYKKSIRKLL-SFHVURJKSA-N 433.582 1.344 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CCC(N)=O)CC1 1749731477 FETWSTRXEKWDGC-QGZVFWFLSA-N 439.582 1.602 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749739575 GTNRDKKJSLTSSB-INIZCTEOSA-N 428.555 1.190 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1C(C)(C)C 1749739890 MIPSLVIPHSYXLS-UHFFFAOYSA-N 440.614 1.760 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)CC1=O 1749861368 VEPNLYNJWYOKHH-AZUAARDMSA-N 438.532 1.927 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2C)CCO1 1750012571 BGZTZRZAAVVDMI-FQEVSTJZSA-N 431.500 1.910 30 10 IDEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)C1CC1 1751247906 GASHPEBDHFQDMO-HXOBKFHXSA-N 438.532 1.982 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1760190071 OBTJOLXOWWRCCJ-IBGZPJMESA-N 439.545 1.096 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC(=O)N1CCOCC1 1760223096 KJUGMWOGMHNFQN-UHFFFAOYSA-N 425.464 1.318 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C(F)F)N1CCOCC1 1760237375 HQGQTKTXZRQLAK-GOSISDBHSA-N 435.523 1.955 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1760258355 UBUQCTLZJBVSAV-IBGZPJMESA-N 445.518 1.451 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1760286734 SXBOYMZGSYHHOT-RXVVDRJESA-N 435.594 1.649 30 10 IDEE C#CCSCCn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760286872 XVZFDPBKIXDRFT-GASCZTMLSA-N 434.566 1.351 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(N)=O)C1 1760327243 FBPZZKWPEMTUBV-GFEQUFNTSA-N 433.553 1.685 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1760361954 XCOPULJMUJFGSV-RTWAWAEBSA-N 435.525 1.554 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)N(C)C)CC1 1760398280 RPPZRQLRKNXKCI-FQEVSTJZSA-N 441.598 1.613 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1)C1CC1 1760477079 OUKRDYIAXFHZKX-FGTMMUONSA-N 437.610 1.834 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)C)CC1 1760515495 VQGNGHOQBYKRMO-UHFFFAOYSA-N 427.509 1.621 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760517496 OAEIEABIHTXFRN-CABCVRRESA-N 449.414 1.963 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760555422 FQWHWXHXWXHRBE-ZWOKBUDYSA-N 440.566 1.505 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H](C)CN3CCCCC3)CC2)c1C#N 1762399741 ANNKCBPVYJMHSI-QGZVFWFLSA-N 425.585 1.949 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 1762399926 GXYPYIPTLXAPII-MRXNPFEDSA-N 446.581 1.076 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1767149728 GPOKUKZSHMEINX-GCJKJVERSA-N 446.575 1.116 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1769049980 GIJRTWQPHHAVGQ-GOSISDBHSA-N 445.545 1.372 30 10 IDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1770360984 CEIGUNVVSGTKHD-UHFFFAOYSA-N 440.476 1.513 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1770960648 NDFNIYADOWZXJH-XUVXKRRUSA-N 443.504 1.120 30 10 IDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)ON2C(=O)c3ccccc3C2=O)cn1 1772791521 ACCDCXQTILFKID-UHFFFAOYSA-N 432.439 1.650 30 10 IDEE N#CC1(CNC(=O)N2CCN(c3ncc(I)cn3)CC2)CCC1 1774158506 GMSBWZREIZAKCU-UHFFFAOYSA-N 426.262 1.607 30 10 IDEE COc1nc(I)ccc1OCC(=O)NCC1(C#N)CCOCC1 1850363760 KEORVYNIDIQDNW-UHFFFAOYSA-N 431.230 1.510 30 10 IDEE Cn1nncc1CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCCN(c2nccn(C)c2=O)C1 1853501227 ANJCEQSQCCVUBG-SFHVURJKSA-N 432.488 1.092 30 10 IDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccccc3S(C)(=O)=O)C(=O)C2)C1 1855007070 NRPFUGGKVQWCAF-IRXDYDNUSA-N 432.546 1.141 30 10 IDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3sc(-c4ncccn4)nc3C)C(=O)C2)C1 1856868432 NBOGJSWRGLSZCE-MRXNPFEDSA-N 426.546 1.843 30 10 IDEE C#CCN(CC(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 2023959456 VYEUCSJEEOSCNS-UHFFFAOYSA-N 439.553 1.983 30 10 IDEE CC1(C)OB(c2ccc(NS(=O)(=O)N3CC(OCc4ccccc4)C3)nc2)OC1(C)C 2043687962 WNRACXUNRCEFPF-UHFFFAOYSA-N 445.350 1.939 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124520294 TUZGMOMCVMKPGH-MAUKXSAKSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247917680 DOCWSPWYCGPAIE-STQMWFEESA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)C(N)=O 2248578659 ONPIWHHCLXITGV-CYBMUJFWSA-N 425.266 1.277 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2255525662 HSZXJRFTTWIXRM-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE Cn1ncc(C(=O)NCC2(C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255541643 FKYKWJXYGPLGHS-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE C[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255541809 IJERMZCDHIXRTE-CYBMUJFWSA-N 434.346 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2255679878 JXLRPBPUHHMAFN-UHFFFAOYSA-N 435.330 1.036 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC12CC(NC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255827679 ZTDUOIKTVDGWMX-BJJGWYPJSA-N 432.330 1.885 30 10 IDEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829276 MATLXLXYFWIANQ-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864531 WYJLWCMBVVUSPP-HUUCEWRRSA-N 435.330 1.414 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)CO1 2255934348 JTCIRBGAUYILJG-AWEZNQCLSA-N 434.298 1.972 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267183414 GDJXGNUJSNLRCV-CABCVRRESA-N 448.373 1.952 30 10 IDEE C[C@@H]1C[C@H](N(C)C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267553153 XWSKTNNRKQAHLL-AEFFLSMTSA-N 439.369 1.849 30 10 IDEE Cc1cnc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267574162 RRJUGOUTGODNGQ-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C(=O)O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2306547156 UAKISCXPORFYOS-SVMVAKDDSA-N 430.505 1.443 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CO[C@H]1C2 2334263012 DTPYHYLQIBNJPC-HKZYLEAXSA-N 448.329 1.263 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2334312038 RSHQUMTUQRZIIV-ZNMIVQPWSA-N 444.341 1.761 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337203065 SFMHOXRSHFPFSM-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)cc3OC)C2)c1=O 101764761 SHLYJDIJMYQJLC-OAHLLOKOSA-N 428.445 1.533 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 111001529 BMDUAWYAMGPDDP-BBWFWOEESA-N 426.498 1.573 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 438130748 MXHGOXSFBCANLL-KURKYZTESA-N 425.537 1.750 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC2CCC(C#N)CC2)cc1 441691526 QWHNNXUENLXTSP-UHFFFAOYSA-N 434.562 1.893 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 460810264 QKMKVXPOWHIAOK-IRXDYDNUSA-N 435.554 1.262 30 10 IDEE N#Cc1ccc(OCCNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 465578029 OKGRBOATNZIEHP-UHFFFAOYSA-N 444.513 1.457 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 467291639 OKBQVBGWOXXDRD-RYTRXMBJSA-N 428.508 1.808 30 10 IDEE N#Cc1c(CCCNS(=O)(=O)c2cnc3n2CCC3)nn(-c2ccc(F)cc2)c1N 475541363 PGVKRVWCULOJLQ-UHFFFAOYSA-N 429.481 1.519 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1-c1ccc(F)cc1 480951689 JNSMWWXXMZJFEP-UHFFFAOYSA-N 441.484 1.807 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CC(F)F)C3CCS(=O)(=O)CC3)cc2C1=O 487055787 BVJUZJGQYDQPFB-UHFFFAOYSA-N 426.441 1.753 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1F 488938135 KFQIKEWOHYOHRL-UHFFFAOYSA-N 429.520 1.890 30 10 IDEE Cc1nc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(Br)cc2)cn1C 499418280 XJQJIAPJALKUSH-CYBMUJFWSA-N 426.296 1.150 30 10 IDEE CCOC(=O)c1cnc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 502214622 WYRZZBIEDDSCKS-UHFFFAOYSA-N 442.497 1.585 30 10 IDEE COCCS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 503179789 ZMOUZUOABZMRCD-UHFFFAOYSA-N 429.502 1.727 30 10 IDEE COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ncccc3C#N)CC2)c(OC)c1 514749046 KLJNQEMVOBVAJL-GOSISDBHSA-N 426.473 1.310 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 525372262 ZGKMHZZBFWVTJM-UHFFFAOYSA-N 444.513 1.483 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 548737584 FPZNREGKOIJWIO-UHFFFAOYSA-N 439.310 1.687 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 583294691 VNKMXEOWIKADSB-QGZVFWFLSA-N 427.530 1.776 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1=O 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428.470 1.499 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCn2cc(CO)nn2)c1 1286308609 KZLYKVVMPAVSBT-UHFFFAOYSA-N 436.520 1.632 30 10 IDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286324916 QWTPALDTLKWQGC-FQEVSTJZSA-N 444.580 1.304 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)n1 1286414889 FHNNVXRYDMGGGO-UHFFFAOYSA-N 447.543 1.257 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1286431627 WHXGYJKZRVVLRQ-KRWDZBQOSA-N 437.500 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccco2)CC1 1286490470 WATHTUICNUBPFZ-QFIPXVFZSA-N 437.504 1.145 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1286501025 KDDKIUADAITAKV-SFHVURJKSA-N 443.573 1.850 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O 1286520969 XQPTWEDGNGQQKA-HXUWFJFHSA-N 431.518 1.605 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NC)CC1 1286563381 JQMURIRUMUZUDW-XLIONFOSSA-N 430.553 1.344 30 10 IDEE 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CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)C1=O 1531926023 XCRPBFXBNXQRFN-INIZCTEOSA-N 438.488 1.717 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N[C@](C)(C#N)CN(C)C)c12 1531927785 AMBVZRFBZMPVRC-QVKFZJNVSA-N 444.561 1.550 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@@H]2C1 1537629645 RWQVSPNGAUPEMB-ROUUACIJSA-N 448.545 1.721 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1539012377 FVMIHUOGQZXTNM-YJBOKZPZSA-N 433.534 1.017 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)NC(C)C)c1 1539043605 RXFMIOUKPDDCSJ-GOSISDBHSA-N 438.532 1.753 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1539053617 WKAFYLOVNGWRBP-AWEZNQCLSA-N 436.504 1.376 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1539185441 GXQKYXLBWZJMEJ-UHFFFAOYSA-N 430.559 1.682 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539318567 TXGRCFMWABHFGN-ZWKOTPCHSA-N 447.547 1.193 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539635999 IQVMMAYDQFHWBG-ZJOUEHCJSA-N 430.597 1.955 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)c(F)c1 1540048357 UNOSZULEEAGRMZ-CQSZACIVSA-N 438.529 1.388 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1540862240 WFDUZCIFERRQSF-IKGGRYGDSA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCN1CCOCC1 1540872814 BDLLTKQINCZVCM-UHFFFAOYSA-N 437.548 1.421 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540900941 NXRYHBJYMDIUEH-UHFFFAOYSA-N 434.566 1.569 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(C(C)=O)CC1 1540907150 MUMIFEZLPDQVEA-UHFFFAOYSA-N 445.589 1.723 30 10 IDEE CCO[C@@]1(c2nnc(N(CC)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1547873385 ICDYWQPMQTZMRA-OGLOHFSISA-N 430.509 1.445 30 10 IDEE CC[S@@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1552416908 OUFUZNRENPQVAX-ZBSNKRKSSA-N 441.355 1.543 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1554498947 DLOJYGPRTWODEW-UHFFFAOYSA-N 439.451 1.971 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1555686683 RORANLKSFYFEKS-FUHWJXTLSA-N 447.561 1.992 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1555816459 MIXZKXYVKKATBR-KRWDZBQOSA-N 426.905 1.980 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCOCC1 1558512320 XIHLZZUXSJEPGY-DOXZYTNZSA-N 441.550 1.093 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C[C@H]1C2 1559030270 LTXDBMGFQKXCRI-YESZJQIVSA-N 448.545 1.741 30 10 IDEE C[C@H](NC(=O)[C@H](C)N(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1559976196 MPNOYSURJFRTPK-AUSJPIAWSA-N 430.530 1.437 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NCCSCc2ccccc2C#N)cc1 1587321008 LYULYUWIKMJXIP-HNNXBMFYSA-N 433.555 1.881 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1587639083 KFYCZEJIAPCZSN-WMZOPIPTSA-N 432.546 1.864 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1588065381 XUVDPHWDSKFQAK-GOSISDBHSA-N 446.577 1.962 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1588835548 AXSHYXIKOCQHFV-QFIPXVFZSA-N 428.968 1.344 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1594454925 JNFLHKSJTIEEEL-HOTGVXAUSA-N 438.598 1.692 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595555659 GMTHBQKMNLBQGN-ZHRRBRCNSA-N 429.496 1.694 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1595577580 XKODWLZNISVRKJ-SFHVURJKSA-N 447.503 1.501 30 10 IDEE C=CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1595854869 PTSYUOYSPWHCHC-SFHVURJKSA-N 440.573 1.574 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCCO)CC1 1596251094 ZVULJLGLPUWVHA-UHFFFAOYSA-N 426.521 1.950 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1597985050 DYGJELUFMDVFRJ-RHSMWYFYSA-N 425.493 1.483 30 10 IDEE CCc1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613976772 PHAPYISWEKOXPF-MRCUWXFGSA-N 441.536 1.348 30 10 IDEE CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617319833 KOORQPFLZWFAAJ-CQSZACIVSA-N 446.533 1.142 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1617431299 CNVWBJHERWONID-NOVUIFNWSA-N 429.550 1.144 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)cc1 1619210691 GPSNCJJRQZPVKN-FQEVSTJZSA-N 426.521 1.795 30 10 IDEE COCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619823081 VBUNGQDTXVHTLU-UHFFFAOYSA-N 449.563 1.931 30 10 IDEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1620356557 BNNMWSLAJMBCLC-DVSFIDLUSA-N 425.493 1.266 30 10 IDEE CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCC#CCO)ccc1Br 1626173576 DUERJFNPGPUEOG-UHFFFAOYSA-N 437.315 2.000 30 10 IDEE C=CC1(CC(=O)N[C@H](C(=O)OCC)[C@@H](O)c2cccnc2)CN(C(=O)OC(C)(C)C)C1 1635488170 QITFSASDVSFPAR-ROUUACIJSA-N 433.505 1.976 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 1636475275 BALXFCSKWCWAMZ-UHFFFAOYSA-N 434.345 1.764 30 10 IDEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3cnn(CCC#N)c3-c3ccccc3)C2)cc1=O 1639531371 CXTAWXSQSCNYNF-INIZCTEOSA-N 433.472 1.272 30 10 IDEE C#C[C@@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1640968695 PFGDPYJUTBTMJD-QFIPXVFZSA-N 433.574 1.835 30 10 IDEE N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1652834669 DTPUYEONLYNRQN-RBUKOAKNSA-N 433.505 1.880 30 10 IDEE Cn1nccc1C1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1654685433 AEPYIJIWPKOVSW-QGZVFWFLSA-N 428.562 1.174 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OC 1656973830 MZNHANMDYAVREY-LBPRGKRZSA-N 437.287 1.863 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)COc1ccc(CC#N)cc1 1657454049 FYEMZCKTOODUCM-UYAOXDASSA-N 447.532 1.977 30 10 IDEE C=CCC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OCC 1669268178 VWCRRHAOFPEDIX-QGZVFWFLSA-N 430.548 1.647 30 10 IDEE C#CCN(C(=O)NCCCS(=O)(=O)NC)[C@@H]1CCOc2ccc(Br)cc21 1675079423 PFYVLQFYYBMQGL-OAHLLOKOSA-N 444.351 1.857 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCN3Cc4ccccc4OCC3=O)C2)nc1 1687574525 LQRUKQXTSRUPSY-LJQANCHMSA-N 434.500 1.960 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1689986299 MVXNCJROQHPLPL-UWJYYQICSA-N 430.530 1.032 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1689989518 GJEVACREQVBICS-RBUKOAKNSA-N 444.557 1.856 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1690015516 OZJDOGIYINPHMV-OXQOHEQNSA-N 431.418 1.752 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690154731 XYQGZCAVDXPZGY-OAHLLOKOSA-N 446.581 1.357 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690154763 YTHZYZCJNSNWDK-ROUUACIJSA-N 432.594 1.037 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690236018 HHWRPGXLNVPAOC-QZTJIDSGSA-N 432.569 1.556 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690254785 ISVQAAVVSXSMOQ-LIRWSHPHSA-N 447.580 1.946 30 10 IDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)NCCC)CC1 1690372260 GYZQBKQVOJVSLF-UHFFFAOYSA-N 431.566 1.921 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1690624168 IJESJQQYRJNMAL-MRXNPFEDSA-N 425.555 1.007 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1696823862 AGMAAAMXNVYCII-UHFFFAOYSA-N 441.605 1.634 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@](C)(O)C(C)C 1698256078 WZNYGCZWARGDII-YNFBMLRVSA-N 432.569 1.586 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)cc1 1698489652 YSDHKLWCLBXOAO-HXUWFJFHSA-N 449.515 1.764 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1705494729 FAHPJGCUHGAWTB-SJORKVTESA-N 448.568 1.961 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705517296 SKSRXHFUNPTCOS-MSOLQXFVSA-N 435.594 1.677 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@]2(O)CCN(C)C2)n1 1705631792 QEJYKRSTHLTNON-XMMPIXPASA-N 449.559 1.494 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705660474 WKCYBBIYTMKVRV-IBGZPJMESA-N 448.637 1.529 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCOCC1 1705710978 WALWKUSCWPTFIE-INIZCTEOSA-N 428.603 1.402 30 10 IDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705819576 OUNVZGWRTYLZDQ-LEWJYISDSA-N 432.613 1.979 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705925699 SRFMZYVRBNONFT-KZNAEPCWSA-N 439.582 1.583 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1712458989 DXOMYVZTYSQKES-IBGZPJMESA-N 425.537 1.889 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1712608091 CGRPCHQQKAUODJ-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722339070 QVTBVOJZGPKYAD-SFHVURJKSA-N 427.553 1.396 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722343870 KOVIYIJGNLXPKL-QPPBQGQZSA-N 439.560 1.615 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722343875 KOVIYIJGNLXPKL-ZJSXRUAMSA-N 439.560 1.615 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1722367956 NSCAXKOEDJQLEO-GOSISDBHSA-N 429.546 1.402 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1722370606 PCVSWQUQCLPHGO-GOSISDBHSA-N 432.546 1.807 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(CC)CC1 1722401417 XBMUYUYNLCKEKK-UHFFFAOYSA-N 436.608 1.630 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CSCCS2)CC1 1722447689 LZFIZFUFWGHZOQ-HZPDHXFCSA-N 448.618 1.044 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3n2)CC1 1722560278 UPLBNCFSKZSRND-MRXNPFEDSA-N 429.550 1.935 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](COC)C1 1722695690 MKPRIOWQQUJGDO-OAHLLOKOSA-N 435.912 1.761 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)C1 1722709600 TYCZVRBWDACUQI-LJQANCHMSA-N 445.612 1.321 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1729669239 FXYKHZXASSWUEX-SSEXGKCCSA-N 426.546 1.690 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CCCCS2(=O)=O)c1 1740564251 GLEYTMDGIJYFQI-SFHVURJKSA-N 429.546 1.864 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC(F)F 1740599877 GUNRAHAYOPBTJH-CYBMUJFWSA-N 427.477 1.802 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1740602730 SGFVPMOJTBSDIX-HNNXBMFYSA-N 448.545 1.865 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1740631368 QUOGJPCTYCYBGA-SFHVURJKSA-N 439.491 1.879 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1740671224 BGXKZGBCMMQROX-LJQANCHMSA-N 443.529 1.865 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CC(=O)N1CCOCC1 1740677862 TUSNVFDUXWKLAX-UHFFFAOYSA-N 434.475 1.978 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1740695141 GOKGSXCLMRGLSI-OAQYLSRUSA-N 436.539 1.876 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](CC(N)=O)C1 1740953429 FYWXFVGZUCPCRT-MRXNPFEDSA-N 448.531 1.729 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O 1740968955 IBISIGABAKLXGS-DOTOQJQBSA-N 447.561 1.493 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1740979734 KYAZEICANFFNSE-DLBZAZTESA-N 440.566 1.241 30 10 IDEE CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1746310216 CVVGBVXGRZDMRC-MRXNPFEDSA-N 437.570 1.031 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)N2CCOCC2)CCOC1 1746710145 BDYRNGIRSUPYCL-YUXAGFNASA-N 432.569 1.781 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C[C@H]1O 1748334032 TWRPVOBBTMKJNB-CEXWTWQISA-N 425.489 1.746 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749019655 CKELGBKRTXLRQR-DYESRHJHSA-N 433.578 1.655 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1749022776 MNGXUPIGAUCMHH-MRXNPFEDSA-N 440.639 1.319 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(N)=O)C1 1749750206 YIWMKERTVKSGMF-HNNXBMFYSA-N 425.522 1.152 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749771947 DDSMHMJPFUOIGI-LEWJYISDSA-N 440.548 1.779 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCS(=O)(=O)C1 1749827765 KHUZFCROKFGFRU-AWEZNQCLSA-N 438.941 1.795 30 10 IDEE COCCN1C[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)CC1=O 1749857984 FCTSDIMXOJTABZ-CVEARBPZSA-N 440.508 1.016 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)C1 1750379774 HNHOBTYFBGGIFG-PIGZYNQJSA-N 438.389 1.723 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCN(C)CC2)CC1 1760251581 COQBMRVVDZIURF-UHFFFAOYSA-N 445.637 1.097 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1760257536 YSBNWKRDTVLASS-DVECYGJZSA-N 439.560 1.787 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOCC2CCOCC2)CC1 1760262720 XUJMANDRLAUWFQ-UHFFFAOYSA-N 438.576 1.852 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCC2)CC1 1760265342 YCAUYWCPLHJWBK-UHFFFAOYSA-N 443.596 1.258 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760453124 OSPBCYHXWCMFFA-GCJKJVERSA-N 433.553 1.722 30 10 IDEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1760933646 MZZVJZUUTGRKCZ-ZWKOTPCHSA-N 437.539 1.934 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)C1 1761132484 BCVVCZODYMYFLC-PXNSSMCTSA-N 439.564 1.874 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(=O)N2)C1 1761542189 DTYCFGYMRDYEAX-IIBYNOLFSA-N 442.545 1.757 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765248531 PVBGQZQIPVXDNT-HYHOCUEZSA-N 447.499 1.958 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)CCOC1 1767481075 AAOZCJABBMAMJT-WOIUINJBSA-N 432.569 1.781 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1769133896 IAJSTNAMJRDSJX-WOJBJXKFSA-N 438.532 1.960 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1769776949 UKPVFSSHAJKYCY-QHCPKHFHSA-N 437.548 1.644 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N(C)C 1770010781 ZSYNOHCEYAEKRI-GJZGRUSLSA-N 429.525 1.487 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770979620 PLMKMSNGGNYZAF-QFIPXVFZSA-N 435.488 1.663 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCO)CC1 1771367934 CJLFTKHOQRGTKS-UHFFFAOYSA-N 432.550 1.355 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1771538059 CNXUJNWJNSHFMH-KDDVOAFDSA-N 425.493 1.786 30 10 IDEE CN1CCN(C(=O)CCC(=O)NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)CC1 1850324814 XCCBFFAIGRQZEQ-UHFFFAOYSA-N 442.541 1.493 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)cc1 1851243367 QVKMDNKUXOKTKC-UHFFFAOYSA-N 427.482 1.582 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)OCCN3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1851580622 RCCQXGFGMDFMAY-IBGZPJMESA-N 449.511 1.680 30 10 IDEE COc1cc(OC)nc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1852032975 ACFQQWXZAAEULL-QGZVFWFLSA-N 428.445 1.302 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2=O)cc1 1854020615 ITTWFNIOZBDWPH-UHFFFAOYSA-N 433.436 1.829 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccccc3C2)C(=O)C12CCCCC2 1854432020 NIKCFVPJVOVCPZ-QGZVFWFLSA-N 431.514 1.465 30 10 IDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccccc3S(C)(=O)=O)C(=O)C2)C1 1855007071 NRPFUGGKVQWCAF-SJORKVTESA-N 432.546 1.141 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855426716 HLANPYNWMGKAOA-HZPDHXFCSA-N 433.530 1.775 30 10 IDEE N#CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1856043304 BPTXEUXQKZSUST-KRWDZBQOSA-N 438.937 1.468 30 10 IDEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)C1 1856043850 RGVPGSVLOCFXFQ-UHFFFAOYSA-N 438.937 1.325 30 10 IDEE COc1ccc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)cn1 1856347938 TXPYXZCGLODFRY-INIZCTEOSA-N 425.514 1.582 30 10 IDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 1860730618 DPGFYVHRFWXBHH-KRXBUXKQSA-N 430.438 1.504 30 10 IDEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870491933 AUCQHVDADVYMEJ-UHFFFAOYSA-N 430.549 1.526 30 10 IDEE O=C(NCC#CCN1CCc2ccccc2C1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 1891248251 SJGTUVBFWWJCAC-UHFFFAOYSA-N 431.492 1.665 30 10 IDEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1891384378 IEZZDHXMXWMQBK-UHFFFAOYSA-N 431.500 1.820 30 10 IDEE N#Cc1cccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)c1 1891515704 WNTSXZIOVUPMCF-UHFFFAOYSA-N 427.465 1.180 30 10 IDEE C=C(CNC(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2020853261 NFEWTJOCGDOQOK-ILXRZTDVSA-N 426.319 1.021 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2124539022 PQIWFHYQMKIGHO-UHFFFAOYSA-N 446.353 1.974 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2247849037 UIRCNEYZHBTMET-CHWSQXEVSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247881042 QDXMLDSSNXFRGC-LSDHHAIUSA-N 438.355 1.930 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2247919001 OFHFWLKKBLRHLF-KGLIPLIRSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248444508 ZHOCMRDAZCPXHV-ZDUSSCGKSA-N 440.371 1.797 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255606199 RDFMQLRTLABJHZ-STQMWFEESA-N 435.334 1.242 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2255611936 YKRSBWGFXDONJA-AGGWBTHJSA-N 432.330 1.314 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CN1C(=O)OC(C)(C)C 2255653175 FPWYYTCVVWWYHF-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255697468 HZFOPUMOAVTADD-UHFFFAOYSA-N 432.330 1.578 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818086 GIVPZHRNCMKMDT-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CC1(C)OB(c2cc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)[nH]n2)OC1(C)C 2256923888 QTWJZMHQQUICHZ-UHFFFAOYSA-N 428.298 1.026 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]21 2267144850 BSMRAYRMEGNCRX-HUUCEWRRSA-N 448.329 1.169 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2267183523 GVXDJNFCAABYAK-VXGBXAGGSA-N 444.263 1.248 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267542579 UBOWZZOSIJFSHO-HZSPNIEDSA-N 447.345 1.100 30 10 IDEE CN1CCN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](CNC(=O)C(F)(F)F)C1 2267823357 SSJCOZCFMKZDLO-AWEZNQCLSA-N 442.291 1.367 30 10 IDEE CC(C)(C)OC(=O)NC1CC2(C1)CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2267875750 IPYBJQLFNYSDTD-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE Cn1c2c(c(=O)n(C)c1=O)C(=O)C(=CNc1ccc([N+](=O)[O-])cc1)C(=O)N2c1ccccc1 2297564845 OZKXNCVRUKBWSF-UHFFFAOYSA-N 447.407 1.849 30 10 IDEE Cc1c(C(=O)N[C@H](CCO)COCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2343486028 JFLKMEKLUZCSPY-GOSISDBHSA-N 443.353 1.725 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2371194791 BGRDIMITOVVMFR-GHTZIAJQSA-N 434.514 1.365 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@H]1CCCO1 447270295 GRICGAFPMQFQJB-CYBMUJFWSA-N 449.985 1.929 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460941728 YILMJTGUBIVMJL-UHFFFAOYSA-N 433.538 1.267 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 481599131 WFRLHVQAEWNGES-LJQANCHMSA-N 431.489 1.821 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O 482143865 PFKCZFJTZGJVFL-DNVCBOLYSA-N 426.498 1.489 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 482564310 VRXNIYPAUHQVLJ-KUHUBIRLSA-N 444.488 1.281 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1F 489664714 KOFIWFWHMSIARL-ROUUACIJSA-N 428.489 1.575 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C 503801593 VPDZNFIESPIDIR-QGZVFWFLSA-N 429.502 1.072 30 10 IDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505515981 PWCXMIJUXJTYDK-ZWKOTPCHSA-N 425.489 1.623 30 10 IDEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 507420472 ATGJHFFQZNGKAG-ZWKOTPCHSA-N 445.545 1.860 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C[C@@H]1CCCO1 512725710 POGDSNNYAFMVKH-HNNXBMFYSA-N 449.935 1.911 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 539007259 MDKNQQQVTOGXTK-UHFFFAOYSA-N 447.517 1.850 30 10 IDEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 544837921 GJYMREPCSNKPQU-LJQANCHMSA-N 434.548 1.391 30 10 IDEE C[C@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1(S(C)(=O)=O)CC1 558147932 MMQKACULFPJQPG-ZDUSSCGKSA-N 433.490 1.604 30 10 IDEE CSC[C@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 574842525 IDHQPYKAELVDRT-HNNXBMFYSA-N 448.364 1.564 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CCN1Cc1ccccc1 577882474 YJDPIDDGNIBIJG-SFTDATJTSA-N 431.496 1.145 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCN(CCOC)C(=O)C1 578920489 JHCWRRMHFZCEHG-UHFFFAOYSA-N 446.939 1.733 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 603989833 KBAHVRLHZCHVGD-ZDUSSCGKSA-N 433.511 1.787 30 10 IDEE C#CCN(C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)C1CCCCC1 729625515 WMDOJUQOFUQRFE-UHFFFAOYSA-N 434.342 1.889 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 730141491 KLTSXPWTIRXABW-NVXWUHKLSA-N 433.578 1.519 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3cc(C)cc(C)c3)n(CC(N)=O)c2=O)cn1 735068967 NQQDPJCNOYPAKG-UHFFFAOYSA-N 449.536 1.004 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 760087475 WHGUHOYMCXXSPT-HNNXBMFYSA-N 430.496 1.325 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 760776073 GRGFOGNZHRXXAZ-UHFFFAOYSA-N 429.477 1.519 30 10 IDEE O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 761218593 AUEQGZVVXLTQKQ-UHFFFAOYSA-N 434.448 1.731 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)C1=O 771578862 RDOZCXNMNRPSPJ-QRQCRPRQSA-N 426.473 1.538 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774215361 FESHKOUCIUJDNF-HZPDHXFCSA-N 443.447 1.643 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCc4ccc(C#N)cn4)CC3)C2=O)n(C)n1 780652432 NJSDHFZTTWJVPG-LJQANCHMSA-N 436.520 1.018 30 10 IDEE C[C@@H](c1ncn(C)n1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790727135 MBQFCFOBOOQXMZ-GXTWGEPZSA-N 435.579 1.637 30 10 IDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(CC(F)(F)F)CC1 792444297 KFNHQNOBDIYJMB-ZDUSSCGKSA-N 446.495 1.894 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@H]2CCCN(C(C)=O)C2)C1=O 794441754 VLZMYDJMEJNBDX-QAPCUYQASA-N 427.530 1.884 30 10 IDEE COC[C@@]1(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 804787379 HPIPKYJRPCVSQT-OGLOHFSISA-N 436.509 1.435 30 10 IDEE C[C@@H](OCC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)c1nccn1C 805861631 UXKDKNRULOTKKB-AEFFLSMTSA-N 435.488 1.791 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCCN1C(=O)OC(C)(C)C 809702890 APUSUDSNTNVUSS-QFIPXVFZSA-N 429.521 1.222 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 812190328 WBPNEVLESRWAPB-YCRPNKLZSA-N 434.541 1.864 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1cnc(C)c(C#N)c1 813705123 DGYSCAYVDLVEPG-INIZCTEOSA-N 438.506 1.435 30 10 IDEE O=C(CSc1n[nH]c(NN=Cc2ccccc2O)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084539499 ZMHXFZZZNLIPDC-UHFFFAOYSA-N 437.441 1.571 30 10 IDEE C=CC[C@@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 1131361520 OCAWGUJFCKQAAE-QGZVFWFLSA-N 446.573 1.951 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 1138085218 WPDSZLMQJISTFU-WOJBJXKFSA-N 443.544 1.879 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)CC1 1152967393 GYEDXIYTNXNPBZ-UHFFFAOYSA-N 429.464 1.739 30 10 IDEE Cc1ccc(C(=O)N2CCn3nc(C(F)(F)F)cc3C2)cc1S(=O)(=O)NCC#N 1179687847 BEWIWFFJQJZTPE-UHFFFAOYSA-N 427.408 1.668 30 10 IDEE C#CC[C@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CCCN1C(=O)OC(C)(C)C 1184101809 BPPIIRAJABFFOA-XCGNWRKASA-N 437.537 1.876 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCCc3cnc(SC4CCCC4)nc3)C2)c(=O)nc1O 1229190528 CFQRKURURXKJCG-UHFFFAOYSA-N 441.517 1.454 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3nc(C(F)(F)F)n4c3CCCC4)C2)c(=O)nc1O 1235165100 CKQPKSJTJAMKNR-UHFFFAOYSA-N 437.382 1.139 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CN1C(=O)OC(C)(C)C 1253920111 HYXWBKROKGZEBF-ZTENYAIWSA-N 426.539 1.354 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CC1 1286402253 DRHVTOUONPZAAC-UHFFFAOYSA-N 428.514 1.612 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1286466193 DZBUPRJOOMWDAF-QFBILLFUSA-N 432.546 1.368 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N(C)C2CC2)CC1 1286493320 NNKIGEWEPYSEPI-PKOBYXMFSA-N 428.581 1.621 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)CCCOC)CC1 1286663205 IHTZYDPDJZFOJD-GOSISDBHSA-N 425.599 1.551 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1286807464 PDEVVHKEPRZDRF-SIKLNZKXSA-N 446.573 1.508 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)c1 1292750524 KFDBLVCWFGAMQX-HNNXBMFYSA-N 434.539 1.883 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(S(C)(=O)=O)CC3)C2)C1 1294505849 ZFCJVDYRZZSLNG-CHWWFWEZSA-N 425.551 1.809 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1Cc2cccc(C#N)c2C1 1300167950 GDHFPAMIBZLGSD-LJQANCHMSA-N 441.509 1.642 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1300305308 UDPCBPMQHHWUED-CYBMUJFWSA-N 426.502 1.629 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1300409790 JYEBCLDPHMZZDY-IAGOWNOFSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300492245 MCZALPQYEFTTCB-MRXNPFEDSA-N 430.534 1.321 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1300501618 MLDQURMVCBIWJQ-GOSISDBHSA-N 446.573 1.951 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2)CC1 1300706481 NZLJWZFLOWNWBL-UHFFFAOYSA-N 428.487 1.677 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)CC1 1301207073 PQGPLPQKBRRPJB-UHFFFAOYSA-N 446.577 1.830 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1303900157 MWUFJIDWBNODGN-QZTJIDSGSA-N 428.537 1.907 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1312478787 AYTHQBWONJAOAI-HSZRJFAPSA-N 438.532 1.374 30 10 IDEE COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1315796862 CPGJFBVEWCGNPH-GOSISDBHSA-N 436.520 1.538 30 10 IDEE C#CCN(c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1343388102 XYEPRHSOWHDHGC-QGZVFWFLSA-N 448.570 1.551 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCN(CC)CC1 1358880189 GRSTXOYXLVBYSH-LJQANCHMSA-N 448.579 1.406 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1359021486 QMLLAZLMGQKWSI-UHFFFAOYSA-N 432.546 1.865 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCOC2)CC1 1359179174 NUHFPWUEDVXOBJ-ZWKOTPCHSA-N 439.582 1.440 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCC2=O)CC1 1359302495 JIPCQKFFCHUTEO-UHFFFAOYSA-N 443.577 1.527 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2nncn2C)nnc1[C@]1(OC(C)C)CCOC1 1359306107 WALMDZXWWJIXBX-IERDGZPVSA-N 444.540 1.091 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359330891 GPOSNQRSFWOAHX-UHFFFAOYSA-N 444.517 1.429 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1359473784 HWUBUXYIBYDDEF-HZPDHXFCSA-N 440.533 1.405 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccoc1 1359560817 IPGBUJJWICSFLI-IRXDYDNUSA-N 444.492 1.957 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)C1 1360784520 GNIKMCVNZLVYHQ-QFBILLFUSA-N 434.522 1.382 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1435086907 HDNAHRCNRSNRME-MRXNPFEDSA-N 427.530 1.852 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1cnn(C)c1I)C(=O)OCC 1463730349 PJHYTKQPFCQYTL-VIFPVBQESA-N 427.264 1.201 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc([C@@H](CC)c3ccccc3)s2)CC1 1465245451 FFNSVZBRLKTISS-INIZCTEOSA-N 448.574 1.697 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 1466132660 MYAKWBBIFSFHNQ-UWJYYQICSA-N 445.516 1.736 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)C2=O)cc1 1467708000 SVHDBBCADHZRMC-RDGATRHJSA-N 432.524 1.802 30 10 IDEE C=CCn1c(SCC(=O)NC[C@@H](O)C(N)=O)nnc1-c1ccc(Cl)cc1Cl 1467711469 OQHLXXQKDDMMAZ-GFCCVEGCSA-N 430.317 1.492 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC)CN1CCOCC1 1471937248 GUIDGXHIXCOIIV-WMZOPIPTSA-N 436.578 1.511 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC([C@H]3COC(=O)N3)CC2)CC1 1473846798 QLSIYUGERZADIA-UXHICEINSA-N 429.496 1.355 30 10 IDEE CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1502841020 DRHXYSRCJXQYMR-YOEHRIQHSA-N 434.522 1.064 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1507534059 QNBPNSCBCIBYEY-WAIKUNEKSA-N 436.516 1.845 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCCN1S(C)(=O)=O 1507619553 QKAPFKGEIZGWDE-QGZVFWFLSA-N 447.561 1.749 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507629338 SIZLAVVWBXORCB-KRWDZBQOSA-N 441.513 1.925 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2CC2CCN(C(=O)OC)CC2)n1 1507717607 WTQJPGIDPLFMIW-UHFFFAOYSA-N 443.552 1.802 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2csc(CC)n2)CC1 1507719556 OQGRWMLIPXOMGL-QFIPXVFZSA-N 444.605 1.947 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507726106 FFDZFWAEHPQGCX-JTSKRJEESA-N 442.589 1.576 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCN(CC)CC2)CC1 1507732740 XHTMXUYYELSHHR-NRFANRHFSA-N 429.613 1.303 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1508132510 ZALMBBUEDZLWGH-CVEARBPZSA-N 425.555 1.022 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509625796 UGMHAGNWIMNQTG-ZZEZOPTASA-N 443.552 1.815 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1512857730 NTUGYCOZHBTLAG-MNYCATERSA-N 444.536 1.702 30 10 IDEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1513686372 POLUKQNAPKVFRH-FQEVSTJZSA-N 425.472 1.938 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCN(C(C)C)CC1 1513871638 PVTOSWQKZZOSOO-UHFFFAOYSA-N 425.537 1.611 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1514151555 OLIXBROSGAKGLR-BSBNDGSWSA-N 437.504 1.790 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1516965076 KDHRSBDSQHDMSH-GOSISDBHSA-N 448.531 1.934 30 10 IDEE CN(C)S(=O)(=O)CCn1c(N2CCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1517028799 GYWIEFFOYPOHCN-UHFFFAOYSA-N 445.593 1.665 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)[C@@H](C#N)C1 1525126786 GWNFWHLXOYZERC-LBPRGKRZSA-N 443.426 1.946 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c([N+](=O)[O-])c1 1527691482 ONOUDQDLFBVABD-UHFFFAOYSA-N 432.433 1.971 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539058650 HHWBDWOLLJJWSL-INIZCTEOSA-N 445.545 1.947 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1539117122 UBIBXDVMMGYAFG-INIZCTEOSA-N 443.577 1.743 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539211348 HZGAQSSZWMPVQT-DOTOQJQBSA-N 448.545 1.624 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OCCOC)CC1 1539446866 KYCUYYVPUUGZNC-FQEVSTJZSA-N 425.533 1.611 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1539513915 SNAHKTYRUUHTCO-UHFFFAOYSA-N 438.561 1.775 30 10 IDEE C#CCSCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539530904 PCVFSQWCCMDZOB-GCJKJVERSA-N 447.605 1.886 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1540034269 ZBNBQWIBWIFAKG-OAHLLOKOSA-N 437.504 1.854 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540867596 ASYPNDYKFLURAQ-HXUWFJFHSA-N 430.896 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CC(N)=O 1540900144 MHFNFWBSNCBKKM-LBPRGKRZSA-N 426.930 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1540905618 ULAODUWYYLGZFL-PMACEKPBSA-N 446.573 1.831 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1541057213 PDVYTGRVVFFDEE-XOMICKMZSA-N 441.536 1.425 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545868583 SSUJQQOEZVHUNN-UFOSLELVSA-N 429.525 1.569 30 10 IDEE CNC(=O)c1cccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)c1 1554410965 AFRCLLBNGHWCPR-UHFFFAOYSA-N 435.532 1.856 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1C 1555584214 CSPAHDHAYMOKGA-HXOBKFHXSA-N 437.548 1.452 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555819058 JJWLXSYKSCKQEP-KSZLIROESA-N 430.534 1.075 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1555996429 SOXTUKKVQYGGEF-XUTLUUPISA-N 432.488 1.997 30 10 IDEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1560135756 BAASUFATMMGTKM-OAHLLOKOSA-N 427.929 1.657 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 1565166978 GMNBQWUQSRDWDP-IBGZPJMESA-N 431.562 1.737 30 10 IDEE Cc1nc2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)ccc2n1[C@@H](C)CO 1569043481 HDAIDJAYVOOFPT-LBPRGKRZSA-N 427.486 1.575 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1587514004 MILXBNAXXXHEBT-JOCHJYFZSA-N 428.577 1.945 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1587662554 OUZIMTSAKAOOCX-MRXNPFEDSA-N 429.546 1.451 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)CC1 1587822896 FCXIJOZOYJXVNS-UHFFFAOYSA-N 431.518 1.650 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588064352 GQSAOMIJJCBUGF-ZWKOTPCHSA-N 432.571 1.902 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCOCCCO)CC1 1588913783 QMLAVCJGROEYGH-UHFFFAOYSA-N 425.533 1.618 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1595569256 CVDTZOIQXOUEID-HSZRJFAPSA-N 441.532 1.370 30 10 IDEE CCC1(Cn2cc(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)nn2)COC1 1596420331 OQVHHDMDQQORQP-NKFKGCMQSA-N 446.533 1.770 30 10 IDEE COC(=O)c1ccc(Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)c(C#N)n1 1611983139 CVISWRFDUDYOED-UHFFFAOYSA-N 444.469 1.250 30 10 IDEE Cc1ccc(C(=O)/C=C/C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1 1615448164 NAIRCMQNMSZPFV-CMDGGOBGSA-N 426.561 1.431 30 10 IDEE COC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1619602180 DAFTXKWTNGAFJW-RTBURBONSA-N 441.536 1.774 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C[C@H](C)O1 1619736521 DISOOVRABZMSAO-UQASEVPWSA-N 429.546 1.925 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)(F)F 1620097116 SEEFYUWNQHNITD-ZFWWWQNUSA-N 444.458 1.811 30 10 IDEE CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCn1cc(C#N)c(O)nc1=O 1623972206 AUKVRKRGBFUZCR-UHFFFAOYSA-N 437.378 1.505 30 10 IDEE COC(=O)c1cccc2c1CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1625830611 CSHFDMVMIMQORF-UHFFFAOYSA-N 427.482 1.487 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)C2)C1 1626346377 UYFDJHCANZVNQX-UBUCZLFOSA-N 432.565 1.831 30 10 IDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1C 1635665214 ATBILTASGIEXGJ-KRWDZBQOSA-N 428.518 1.055 30 10 IDEE CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(S(C)(=O)=O)CC1 1636094109 AXQWNUZBTRNCQO-UHFFFAOYSA-N 427.567 1.519 30 10 IDEE C=CCC1(O)CN(C(=O)[C@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1638023649 INXKINNQRBCXMB-NRFANRHFSA-N 449.507 1.919 30 10 IDEE CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C[C@@H](O)c1cccc(C#N)c1 1643725750 LMZCUIRCGQBPHO-YKSBVNFPSA-N 449.511 1.498 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1C(F)(F)F 1644081328 MCBVEKZJJGOKCX-CHWSQXEVSA-N 436.383 1.937 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)s1 1648450838 VXFUAFBMHMXFAT-OAHLLOKOSA-N 425.576 1.758 30 10 IDEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)Cc2cncnc21 1650869035 IMXBSRLCZKDYEH-OAHLLOKOSA-N 425.514 1.895 30 10 IDEE N#Cc1cn(C2CN(C(=O)Cc3c[nH]c4cccc(Br)c34)C2)c(=O)nc1O 1653759580 CWTVZULJQSOBNU-UHFFFAOYSA-N 428.246 1.690 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)c2ccccc2OC(F)F)CC1 1675796432 OWQAAWFEMWNBPK-HNNXBMFYSA-N 430.477 1.534 30 10 IDEE C#C[C@@H](NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1CCOCC1 1682293406 NGLUPURDXRCQQV-PZJWPPBQSA-N 431.508 1.571 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 1685843975 FGCIVCIXRCGYKL-OAHLLOKOSA-N 433.368 1.809 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1689851849 WJBWTLJGLWJIFI-RDJZCZTQSA-N 444.561 1.780 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1689980335 PWUDIOOTZVMNCG-QGZVFWFLSA-N 435.594 1.605 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689980928 ZQUVSLOMGVRXPP-MSOLQXFVSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1689986046 HOWJVBUHQLUPQO-MSOLQXFVSA-N 430.530 1.296 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690252627 HCGHSOXPJFQNRW-DOTOQJQBSA-N 432.525 1.316 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](COC)C1 1690254981 MNYXHOACURYIHO-KNJMJIDISA-N 436.553 1.835 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1)c1ccccc1 1690322146 WPSPMEAFNWBIAF-IIBYNOLFSA-N 444.561 1.461 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NC)c2)CC1 1690375927 XVKHWRQXSJSHMQ-SFHVURJKSA-N 429.546 1.745 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690507105 DCBBLPYDTDJMOL-HXUWFJFHSA-N 446.596 1.857 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1690668111 SNBWHPUVIHCLOD-UHFFFAOYSA-N 425.493 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690718042 ZIAXAGPUZCRKQA-NRFANRHFSA-N 445.545 1.271 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690726570 DXJWVBHYBJGOIM-KDURUIRLSA-N 432.546 1.616 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692565384 KSZPZRQGZDZPEJ-QGZVFWFLSA-N 425.493 1.579 30 10 IDEE Cc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693509373 HKSDLFFSDRXBSP-FMQUCBEESA-N 439.451 1.105 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696830470 PDMGKNGOEPFTMV-KIJUOZEOSA-N 432.525 1.560 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1698214145 CLDMEMJPZVZRMS-QGZVFWFLSA-N 426.521 1.927 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705532503 OMEMWFZBUJTFAE-KBPBESRZSA-N 447.483 1.098 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1F 1705621610 IQMHUGYAZDLFMU-CYBMUJFWSA-N 427.477 1.301 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1705634726 HHDCKUYZYFHONG-QPPBQGQZSA-N 444.624 1.806 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2csc(C)n2)CC1 1705900717 NDQSAJQHPJRTNI-UHFFFAOYSA-N 441.565 1.068 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C)C2)cc1 1705910320 YXNQBNPBWJARSF-HZPDHXFCSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)COC(=O)N2 1705934759 WHBGDKLYWKEQFA-UHFFFAOYSA-N 446.533 1.328 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1 1706229308 FAOUCVNQDJIQGV-UHFFFAOYSA-N 448.535 1.823 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712055375 FUVFTGXJQCLTIO-BSBNDGSWSA-N 437.504 1.790 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN1S(C)(=O)=O 1712625137 PZAGAVDIZYTKSI-NXOAAHMSSA-N 440.570 1.022 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(COC)CCOCC1 1712647724 IFKOFRMEXNMAAO-KSZLIROESA-N 435.525 1.174 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722292231 GLOYZUFSLMJOFI-FUHWJXTLSA-N 431.562 1.929 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722360538 UZOKFRZYNIJDNJ-IBGZPJMESA-N 435.513 1.225 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1722417866 WVQAILLWSDIMIB-ZHRRBRCNSA-N 429.496 1.735 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1722432645 BTXUPAPNPCEKRT-MZKRTTBSSA-N 431.581 1.891 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722462360 MNRYYZCIOJDXRT-ROUUACIJSA-N 427.578 1.754 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(OC)c2)CC1 1722697314 JNGKRBNOQKITEX-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722727431 ILVRMNINFNCTJD-INIZCTEOSA-N 432.612 1.481 30 10 IDEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1723035232 JEKUGXOTDOSDAJ-NRFANRHFSA-N 429.546 1.993 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1728760412 FMVLLEBYIRPSNK-UZLBHIALSA-N 439.582 1.883 30 10 IDEE COCCCN(C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1730691104 OIOUVUFMMZNYFB-LJQANCHMSA-N 438.536 1.214 30 10 IDEE COCCCOC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1730714467 JXLVGWYNWPIXGV-GOSISDBHSA-N 428.493 1.764 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1740555304 FPUDOXGIJQXFRU-INIZCTEOSA-N 426.546 1.844 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCN(CC)CC1 1740608794 IJPALQAXICFDDP-UHFFFAOYSA-N 427.553 1.493 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1740620969 IWWOJWCALCQXKF-HXUWFJFHSA-N 437.525 1.507 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1740646921 LWNRAWKMLCQTHH-XMMPIXPASA-N 443.592 1.628 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1740955070 LIDAPNSGHGDZGD-UHFFFAOYSA-N 433.534 1.269 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740955735 DUXMZDYADDLLBE-GASCZTMLSA-N 434.294 1.571 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1conc1COC 1746335026 NJVSWRZJOXTZQN-UHFFFAOYSA-N 444.517 1.870 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2COCCO2)c2ccccc2c1=O 1746469280 BMHLRLCFAFOYKV-JKSUJKDBSA-N 437.504 1.829 30 10 IDEE CCSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1747515613 VMQWNJJSRAICTB-HUUCEWRRSA-N 430.600 1.350 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1747998046 BODQYQPYXBUJKV-UHFFFAOYSA-N 431.518 1.556 30 10 IDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1748757776 KRLVHODRVSSOED-RUZDIDTESA-N 449.603 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1748848468 FZGPBDAPWSAZGR-UHFFFAOYSA-N 428.496 1.775 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCS(C)(=O)=O 1748912860 JQCBUZVKDAIEER-UHFFFAOYSA-N 438.579 1.051 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(-c3nc[nH]n3)cc2)n1 1748971002 ZSSXLNVCFVZPMF-UHFFFAOYSA-N 431.504 1.903 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749019618 AXOOTPHDQHIWKL-INIZCTEOSA-N 433.582 1.119 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749037835 GQXPVAOXAPVSKF-QWHCGFSZSA-N 438.497 1.314 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1749157928 AVHPNBYJQRILQX-GOSISDBHSA-N 434.566 1.765 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(OC)CCOC2)C1 1749692873 CJELKMZGJCQVLV-IERDGZPVSA-N 428.493 1.512 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(Cl)c1 1760175741 QELBBOYPJRMZQZ-MRXNPFEDSA-N 441.916 1.521 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@]1(N2CCOCC2)CCSC1 1760238375 TXNYTIUBBDDKCN-NRFANRHFSA-N 432.594 1.068 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760263054 MAGDUNZGRJFGSH-HXUWFJFHSA-N 427.574 1.253 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1760306153 CPZOEPQSOSRPKI-OLZOCXBDSA-N 447.359 1.258 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1760306154 CPZOEPQSOSRPKI-QWHCGFSZSA-N 447.359 1.258 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(N(C)C)CCC1 1760337005 LPWZZKNMIOHJEQ-QGZVFWFLSA-N 440.614 1.498 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1760495645 TUKSOQJIYQCKOU-IAGOWNOFSA-N 425.555 1.216 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1760689809 DQCKSZQCOSEQRW-INIZCTEOSA-N 447.561 1.876 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1762268553 WKBHTZQDAXQPNP-INIZCTEOSA-N 427.509 1.814 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCCN(C)C 1763742325 QURRQJVLSUCEKT-QGZVFWFLSA-N 443.600 1.610 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@H]1N1CCOCC1 1765249523 SSPCUNZRBCCOIG-UYAOXDASSA-N 437.548 1.452 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1770981492 BIOVFQGNKWIXOG-AVRDEDQJSA-N 441.536 1.163 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1771198529 JQNDRNWPBRTDDZ-JXFKEZNVSA-N 439.582 1.957 30 10 IDEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCN(c4cccc(C#N)c4)CC3)cnc21 1848891350 YUWMPCROSFTOIE-UHFFFAOYSA-N 433.516 1.959 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CCc2nc3ccccc3[nH]c2=O)CC1 1851199032 WEUUIHBISWRLHP-UHFFFAOYSA-N 432.484 1.488 30 10 IDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1 1852054625 AEFHLVORAFYSNN-UONOGXRCSA-N 429.912 1.631 30 10 IDEE CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)NC1=CC(=O)CCC1 1852238977 YZKVVTGCYODURH-UHFFFAOYSA-N 436.534 1.173 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)CC1 1852327821 HKFXOMCAAGIRMR-OAQYLSRUSA-N 449.486 1.909 30 10 IDEE COc1ccc(Cn2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)nn2)cc1 1852669079 NSGLYANZRPKMMJ-UHFFFAOYSA-N 447.499 1.581 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)N=C(NOC[C@@H]1CCCO1)c1cccn1C 1853526139 VIWYFNUIDZNMAN-HNNXBMFYSA-N 435.502 1.956 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 1854339633 ZFPRXFYBSVXSOW-IBGZPJMESA-N 432.546 1.838 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(Oc4ccsn4)CC3)C2=O)CC1=O 1854851053 PAMVWPOQFAPYRC-NVXWUHKLSA-N 432.546 1.538 30 10 IDEE Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)cc1S(=O)(=O)N(C)C 1858301869 ZMGZDHKBNRGIIT-LJQANCHMSA-N 440.525 1.762 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1862758872 FZTDCTNRSCTJGX-MRXNPFEDSA-N 429.341 1.779 30 10 IDEE CCCCCCCCN1C[C@@H](C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1=O 1873016565 SSIUFPFLJBINIX-FQEVSTJZSA-N 436.597 1.198 30 10 IDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccn1C 1874336833 DTNKVICVYFGINW-URMYYVDKSA-N 431.566 1.841 30 10 IDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc(O)c(O)c2)o1 1874433145 KIDQWVZBEWCUQV-ODCIPOBUSA-N 445.457 1.880 30 10 IDEE C#CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)C(=O)OC(C)(C)C 1985010655 FEPZFXFUZUGSLZ-HOTGVXAUSA-N 425.526 1.591 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124537533 ZDDNCRSPKYVLRV-HNNXBMFYSA-N 447.345 1.313 30 10 IDEE COc1ccc(C#N)cc1CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2195272554 YKBZUKPPHLQVDS-KRWDZBQOSA-N 432.454 1.861 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2213510019 XKFPNSVIPXSUFH-FZKCQIBNSA-N 443.541 1.303 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248587074 LJVNMFQCPUXAAH-OAHLLOKOSA-N 432.307 1.842 30 10 IDEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2255749684 AEDAADSBTWDNNU-UHFFFAOYSA-N 446.382 1.224 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(C)CN(C(=O)OC(C)(C)C)C1 2255815095 IQMDOODFQSTJDS-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2255819333 ZGEGUIFFDCZLID-UHFFFAOYSA-N 434.346 1.895 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2255840692 QFVYEMURLBCUFO-KRWDZBQOSA-N 425.342 1.461 30 10 IDEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)[nH][nH]1 2256613650 JVNOAJRXKKCRIO-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256619457 YWAHUEAJLXSVHJ-FZMZJTMJSA-N 439.293 1.733 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267147849 UMNWTSHKTYEVDI-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CCC1 2267278345 BGUGFSTVHDFNSC-AWEZNQCLSA-N 449.361 1.538 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2267548371 RETWCDRJMMZZST-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2C1=O 16281199 VQTFGARVWHCCLL-UHFFFAOYSA-N 447.491 1.970 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CCO1 409488472 VKERTCBJHFFVHF-OAHLLOKOSA-N 433.361 1.623 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1 443334923 NYIOMDWPPWGEAE-UHFFFAOYSA-N 432.484 1.929 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCCC)CC1 460557049 UTGWOJWGJUFRIP-QZTJIDSGSA-N 441.598 1.973 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CC(=O)N1CCCC1)C[C@H]1CCCO1 464801141 ZNDPNUPGMKDVPD-HXUWFJFHSA-N 436.516 1.786 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 478750569 ZKIRNVWAIFYTLF-MRXNPFEDSA-N 435.480 1.932 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 482550877 CDVNUYADHLOICM-AUUYWEPGSA-N 444.488 1.281 30 10 IDEE Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1C 489051670 JSIMTRSCQIBSEX-UHFFFAOYSA-N 427.530 1.824 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2C)nn1 489185678 QMSDTVNOJAVPHJ-LJQANCHMSA-N 445.483 1.772 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)cc1 502229114 PMOOFEUJDUGOET-UHFFFAOYSA-N 438.575 1.490 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)COc4ccccc4C#N)CC3)C2=O)n(C)n1 505885444 RHFMLDDFARFLLH-IBGZPJMESA-N 436.516 1.319 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C)(C#N)CC3)CC2)cc1 506012833 OCDUCSORDKOGEU-UHFFFAOYSA-N 432.546 1.348 30 10 IDEE Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc1S(=O)(=O)NCC#N 517561289 KWJYKCCSTXJUEK-GOSISDBHSA-N 428.514 1.226 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCCN(C)C)[C@H]3CCS(=O)(=O)C3)cc2C1=O 531824827 BHZKYWDJJJFYFT-INIZCTEOSA-N 433.530 1.050 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 537934292 HPEWBRXMFKBGEI-GOSISDBHSA-N 431.518 1.443 30 10 IDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 546565315 DSWHCPIUZZHPPO-QGZVFWFLSA-N 432.502 1.915 30 10 IDEE CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2 560730244 DTPOQTBONGUSGS-OYHNWAKOSA-N 431.537 1.962 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604001419 OYSZAPQNTUNYIZ-UHFFFAOYSA-N 444.516 1.426 30 10 IDEE C=CCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 679517015 XGXONMDBHAMHGJ-UHFFFAOYSA-N 437.562 1.630 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1C[C@H]1CCCO1 728557704 PPERTOOZXDKECH-GOSISDBHSA-N 440.569 1.332 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732706041 CKNYFAHFAIGLOP-GQIGUUNPSA-N 439.516 1.073 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCN1C1CC1 737199975 YFXXMKREOFPDIE-OALUTQOASA-N 440.504 1.124 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 749863025 VJHUWAKXNBEKGU-JKSUJKDBSA-N 436.537 1.712 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 750303179 QULNPWHEJKWWLV-UONOGXRCSA-N 425.482 1.767 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 753882184 WVIHSDUMDXMVTL-UHFFFAOYSA-N 425.466 1.971 30 10 IDEE C#C[C@H](CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757475490 GVOKSIQWZCNFMF-QVKFZJNVSA-N 436.464 1.869 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C(C)C)c2)c1=O 758049748 KMCJMHSVIXQYAI-UHFFFAOYSA-N 432.505 1.715 30 10 IDEE C#CCCCCNC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 758879470 DEXBNPFBKZKRHT-UHFFFAOYSA-N 441.575 1.218 30 10 IDEE CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 767752986 YDRLLCUZSTTWJT-QGZVFWFLSA-N 425.507 1.738 30 10 IDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 773966003 CWABEJKWKGVDLW-ILXRZTDVSA-N 436.534 1.487 30 10 IDEE C#CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774194479 GIOLLBDSBQDLBD-RTBURBONSA-N 439.965 1.545 30 10 IDEE N#CC1(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CCC1 784188137 UVVQYJYNRMNSPF-IBGZPJMESA-N 431.448 2.000 30 10 IDEE C=C[C@](C)(CC)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 785534722 SHEBCUKQEDIDHF-LJQANCHMSA-N 428.576 1.834 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCC2CS(=O)(=O)C2)C1=O 786690209 TZZCDMHOTGXHNC-HZFOHNAASA-N 429.589 1.680 30 10 IDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)n1 788368018 XWSBGIXAHASRCZ-FQEVSTJZSA-N 449.433 1.932 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(c2nnc3ccccn23)CC1)c1cc[nH]n1 789946663 JEOLKXZTHWAYHP-UHFFFAOYSA-N 425.449 1.142 30 10 IDEE CCOC(=O)C1=C(CN2CCN(c3ncccc3C#N)CC2)NC(=O)N[C@@H]1c1ccccc1 796249714 AEZHOIHRCXGRGP-OAQYLSRUSA-N 446.511 1.947 30 10 IDEE C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 798228496 LNQSIEBMCPWBDO-NRFANRHFSA-N 435.444 1.408 30 10 IDEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)CC1 799753366 ZDUUDXGUCKVJBM-UHFFFAOYSA-N 435.550 1.805 30 10 IDEE COc1ccc(OC)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807937499 FKPRXXVBKGOHHX-QGZVFWFLSA-N 444.517 1.633 30 10 IDEE Cc1ccc(N(CCC(=O)N[C@H]2CCN(O)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1 820174980 PXHBMAWGZARWOW-IBGZPJMESA-N 431.514 1.995 30 10 IDEE CC(C)[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 916775379 UGPBDIPQGYXUNE-GOSISDBHSA-N 425.466 1.825 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2=O)cc1Cl 1128693327 GDIURUUQLLQNDP-BBRMVZONSA-N 444.841 1.944 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1CCOCC1 1131257009 JZOHOPOERKQNCG-OAQYLSRUSA-N 432.542 1.835 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1=O 1132315259 GCFVXEDVMWNKBC-LJQANCHMSA-N 426.517 1.787 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1135522739 DBDZYXMUWOHJMB-YFHOEESVSA-N 447.444 1.849 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cn2cc(Br)c(O)nc2=O)C1 1143720168 OOOHDYLPAVYUPK-AWEZNQCLSA-N 432.278 1.320 30 10 IDEE N#Cc1c(F)cc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)cc1F 1155210165 OXEVMCIKNVFRHV-UHFFFAOYSA-N 441.481 1.973 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)OCC 1171439105 LNJJBEDFVJOYPW-STQMWFEESA-N 440.946 1.505 30 10 IDEE COC(=O)[C@@H](Cc1cncs1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1175926579 RUAKOKPYIOYVST-MOPGFXCFSA-N 445.520 1.365 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3ncc(Br)cn3)CC2)o1 1176165949 BNJILMKUOZIMHQ-UHFFFAOYSA-N 434.298 1.188 30 10 IDEE C#CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1206409868 FZKPQDFSOMEEHM-OLZOCXBDSA-N 441.472 1.664 30 10 IDEE Cc1cc(C[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n(-c2ccccc2)n1 1224443786 ZILZOHOJYLVTQN-KUDFPVQQSA-N 427.530 1.692 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1286348919 BFCDCWQPOOWSAE-RTBURBONSA-N 428.581 1.765 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CC1 1286365778 JDFWIFYGHGKOAX-MUUNZHRXSA-N 435.575 1.176 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286432127 YANAGLDJMYULMG-IBGZPJMESA-N 441.557 1.544 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(C)C)C2)CC1 1286483238 DFMQKEBVFLFTJL-FQEVSTJZSA-N 427.597 1.276 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCn2ccnc2C)CC1 1286494537 VBWREBQRKOKCMH-LJQANCHMSA-N 425.537 1.343 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286651628 HNHBVCRRFWKOPY-ZBFHGGJFSA-N 445.611 1.116 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1286806321 WTRRPWRRPYCSSZ-JTSKRJEESA-N 442.520 1.254 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1286818530 XOFUWQNRLMJOGP-UHFFFAOYSA-N 449.552 1.990 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1288099422 AVEDLGWIFKPNPG-HXUWFJFHSA-N 448.524 1.504 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC 1292614197 DLXSBQUGSYZCQS-QGZVFWFLSA-N 433.534 1.583 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1295347291 HNGCCHGQPFXRTN-UHFFFAOYSA-N 438.536 1.537 30 10 IDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1299779212 DOJMYQVFJPMRAH-INIZCTEOSA-N 430.534 1.323 30 10 IDEE C#CCCCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1300411369 HLJWKYAPKXXTOI-OWCLPIDISA-N 437.566 1.380 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 1300495438 HPOHRKQHVLCRIR-SFHVURJKSA-N 426.546 1.799 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1300558954 GNGMVYJFPIIXTI-HSZRJFAPSA-N 443.548 1.064 30 10 IDEE C#CCSCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300778547 YZVSEQHTXYBOGL-SFTDATJTSA-N 436.578 1.681 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300983877 RJDPNCLAGXBVFT-UHFFFAOYSA-N 428.537 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301490842 GGZFQOKVVDLUHM-UHFFFAOYSA-N 437.548 1.871 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)C1 1301545945 OECZAVQAKVFUGD-GOSISDBHSA-N 430.534 1.537 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301577945 VDAKHGCCIBLJAS-AWEZNQCLSA-N 437.522 1.724 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1301967754 GIUNLWIRVAAFTO-SJORKVTESA-N 436.582 1.569 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1302398663 RMSCRIMYVVBKKH-UHFFFAOYSA-N 438.532 1.948 30 10 IDEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](C(N)=O)C2)o1 1302992323 XGHZVAPNTHADDH-SNVBAGLBSA-N 430.266 1.860 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 1303315274 XFMDGKPZZMWYAN-LRDDRELGSA-N 431.474 1.086 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCNC(=O)[C@@H]3CC)nnc12 1306900237 UAYMKZTVIXRNEY-HNNXBMFYSA-N 440.529 1.449 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1313493363 XPWSVCXNHCWFEP-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 1322942690 DWXGLEJMWRGRFA-FBMGVBCBSA-N 436.921 1.896 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1358959775 PLVOWLOSYHUKPD-OAHLLOKOSA-N 446.529 1.114 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358961390 XRRFEUXZCXDWLC-MJGOQNOKSA-N 428.562 1.307 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358962300 NMWVKRDPDMRFCR-CHWSQXEVSA-N 447.483 1.444 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@H]2CC=CCO2)n1 1359028318 OARPMIBERCRRHB-AZUAARDMSA-N 426.521 1.610 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 1359040535 ZAGVNQBMQUWEDE-CEXWTWQISA-N 444.580 1.983 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](CCOC)C1 1359300366 AHEVVNBAKNLCOE-APWZRJJASA-N 427.505 1.956 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359304504 ZLEVEWDSXKMEOX-HSZRJFAPSA-N 440.548 1.739 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(=O)NC)C1 1359341296 RTRLFNJGNZBFDL-FQEVSTJZSA-N 432.550 1.887 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)c1 1441886602 OLNNJYQHHVUKRK-UHFFFAOYSA-N 427.501 1.875 30 10 IDEE C#CCN1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1444337956 MEZXSCJCSGOFCP-QGZVFWFLSA-N 439.603 1.455 30 10 IDEE C[C@]1(C[C@H]2CCCN2C(=O)COc2cccc(Br)c2C#N)NC(=O)NC1=O 1449338427 DWFGHHHFPFQVOD-ADLMAVQZSA-N 435.278 1.679 30 10 IDEE CN1C[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H](c2ccccc2)C1 1452177096 OFZQFLAFLBKPMM-CTNGQTDRSA-N 426.542 1.954 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1463837331 RUFSHRVHVPHJKB-UHFFFAOYSA-N 443.529 1.945 30 10 IDEE Cn1cc(N2CC[C@@H](NC(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2=O)cn1 1465313917 DFSZLAYEBFNHNE-MRXNPFEDSA-N 443.305 1.412 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1469873081 ZIXBZZSGWSWUQT-HXUWFJFHSA-N 444.513 1.329 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 1469876159 CLMGQAPSXOMLSN-UHFFFAOYSA-N 444.937 1.682 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2)cc1 1477919221 AURQFTDYMSDUSS-FQEVSTJZSA-N 434.562 1.936 30 10 IDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507590814 GVEQLVIGXKAEHB-SFHVURJKSA-N 436.495 1.953 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1507629457 MMXGMXUNNFIZSE-MOPGFXCFSA-N 442.589 1.699 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1507660014 KPOXGVMKWKACOX-MRXNPFEDSA-N 445.545 1.417 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nnc(C)s2)CC1 1507721012 XVFKCAQXQBZNGU-HXUWFJFHSA-N 431.566 1.088 30 10 IDEE C=C(Cl)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507874337 RQJFJKZKNYCHFO-MAUKXSAKSA-N 447.989 1.541 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCS1 1514136092 AXTWMVKXAVRDRC-PXNSSMCTSA-N 447.586 1.698 30 10 IDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CCOCC1 1516616532 AIVVRMKCNFSDHY-IBGZPJMESA-N 427.505 1.806 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)C[C@H]1C 1519222284 FPAQTAOCBPRLTH-MSOLQXFVSA-N 428.537 1.921 30 10 IDEE COC(=O)c1c(F)ccc(Cl)c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1526763348 DVJQNNMMRNMDOS-UHFFFAOYSA-N 425.825 1.943 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539212378 VQRKDUWKUBUJQE-LBEKAKSKSA-N 446.598 1.873 30 10 IDEE C#CCN(c1nnc(CC)n1CC1(N2CCCC2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539219700 LYLRNVBFOVPDIP-GOSISDBHSA-N 435.594 1.112 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](COC)C1 1539521060 XBXDEJNBZADODX-GOSISDBHSA-N 426.546 1.735 30 10 IDEE C#CCSCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1539530956 QBVHNRUFPUYIPK-AAEUAGOBSA-N 445.521 1.775 30 10 IDEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNS(=O)(=O)CC)CC1 1539891781 KUJJMGITUPFANK-UHFFFAOYSA-N 443.577 1.858 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1540862015 OIZKSZYNRVSTQD-WBVHZDCISA-N 444.561 1.844 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540867446 WOWGNQKOMSYXTL-INIZCTEOSA-N 440.529 1.419 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2F)C1 1540882799 OMYBBKJKMVCMLV-CJNGLKHVSA-N 441.504 1.996 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1545695667 AVBVLEYZWVZNID-UONOGXRCSA-N 429.481 1.039 30 10 IDEE COC1(C(F)(F)Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)CCOCC1 1554676948 NZBIDOPEHBLXTD-CQSZACIVSA-N 428.484 1.843 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCS1(=O)=O 1555557782 CKXRPHLSQKBUJL-IAGOWNOFSA-N 425.555 1.853 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2NC(=O)Cn1cc(C#N)c(O)nc1=O 1557815960 RLELJPVZXBKZTK-BMFZPTHFSA-N 431.493 1.361 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)CC1 1558643096 MKDMXSXVSXORFA-OXJNMPFZSA-N 437.562 1.810 30 10 IDEE C[C@H](NC(=O)[C@@H](C)N(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1559976198 MPNOYSURJFRTPK-BXTJHSDWSA-N 430.530 1.437 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1)C(=O)OC 1561512031 LBQGDHLQTITLDY-ZDUSSCGKSA-N 425.381 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CCC(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1565005238 OGWIWTAWILRTJG-OXJNMPFZSA-N 440.566 1.603 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CCO2 1565340682 NOSGXYSJUIOBNU-SDMXJPDVSA-N 428.493 1.069 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCc3cc(C#N)ccc32)C1 1583645317 MBKBXTCWZLSJIF-IIBYNOLFSA-N 431.514 1.729 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 1587691424 VREHSWGJSNGCEW-UHFFFAOYSA-N 439.277 1.654 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588058809 CWIFMWAKLFKUDT-SJORKVTESA-N 438.500 1.619 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589547247 TUTGEQZWVXXQJR-LNLFQRSKSA-N 425.599 1.976 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1593736276 YWOSOBZCZRQVHE-QUCCMNQESA-N 427.553 1.875 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1595496770 GRXJXXBBNGCBQS-RCCFBDPRSA-N 426.477 1.874 30 10 IDEE C#CCN(C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)C1CCN(C)CC1 1611145338 LEFYHBTVDVDHPH-UHFFFAOYSA-N 426.517 1.750 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCCC[C@H]1C 1611676739 BZJOETRJXZAOBJ-SJORKVTESA-N 437.614 1.893 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)CCCn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)cc1 1614827109 DRANILRQOBTXMP-UHFFFAOYSA-N 430.486 1.347 30 10 IDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C 1615637740 FZWKIRIPPCJKKC-UHFFFAOYSA-N 445.593 1.629 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 1620485172 XXBGAXBHKUSWIW-RYUDHWBXSA-N 425.532 1.098 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CC#N)CC1 1622396103 SHPZVPIOKDLJCE-LJQANCHMSA-N 443.548 1.596 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1632241673 FQVVTCOOIMHCTC-QGZVFWFLSA-N 426.498 1.178 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1632770160 WSWDMGGBYPWTLH-PMAPCBKXSA-N 442.516 1.930 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1636287942 AYIZWJYRWRMMLY-LJQANCHMSA-N 438.509 1.977 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)CC1 1636475591 OQDURBCEXUDOAJ-KRWDZBQOSA-N 428.514 1.447 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)C1=O 1640741051 KYMVFUWSUYCOJF-UHFFFAOYSA-N 444.488 1.647 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1(C#N)CCC1 1643011535 HLTQRDMSRYBLCK-OAHLLOKOSA-N 447.966 1.232 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1649190938 UGMJYYOWJMCMNQ-QZTJIDSGSA-N 448.545 1.837 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC)cc2C(F)(F)F)CC1 1658676429 KMPFMMIXBCJJNT-UHFFFAOYSA-N 434.440 1.721 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCCOC3=O)CC2)CC1 1660381529 HZFBRECUUVYXRA-GOSISDBHSA-N 431.562 1.764 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 1667791230 ZHZVNEFVJJEDCB-LJQANCHMSA-N 426.517 1.996 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)CC1 1670355732 CHQPBFVEMLOIFZ-UHFFFAOYSA-N 433.530 1.633 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 1679365259 FHAKQMZKIGJSER-UHFFFAOYSA-N 445.582 1.835 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1681326068 SDVBYQASKCORNR-UHFFFAOYSA-N 432.502 1.520 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCc2cnc3c(Cl)cnn3c2)[C@H](C#N)C1 1681435494 WUXXKGKJNNTXOZ-UKRRQHHQSA-N 433.900 1.983 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1682200989 WFNIXOXNXXNYTA-CQSZACIVSA-N 432.527 1.686 30 10 IDEE Cn1c(S)nnc1CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1683661125 LMDDWDKFWUIYSL-UHFFFAOYSA-N 437.533 1.440 30 10 IDEE Cn1ncc(C2CCC2)c1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1683976563 BBIHLOSJGFXJQB-UHFFFAOYSA-N 442.545 1.775 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(=O)NCC)CCC1 1689960071 XKLUNBXMQKIVIK-UHFFFAOYSA-N 443.577 1.614 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1689990420 OCDSTQIHEYHHMV-SJORKVTESA-N 440.591 1.163 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOC[C@@H]2C)CC1 1690132228 LRRFKHCLNBNXPU-NRFANRHFSA-N 438.576 1.641 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)CCC(C)C)CC1 1690135573 ZKJKRNUHUBHXEW-SXWKCWPCSA-N 433.597 1.945 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690170028 WYVUPLKWUBPTID-UHFFFAOYSA-N 425.562 1.940 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1690313036 JXEKBOHBKLKBAW-MRXNPFEDSA-N 433.534 1.436 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1690514975 BPUXBNPSGDVLGY-PWFNWSNSSA-N 425.580 1.437 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1690673489 WSDQQAHGGGFLPJ-UHFFFAOYSA-N 438.532 1.286 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1690677224 RJVBSLTUQKOCPP-UHFFFAOYSA-N 440.573 1.992 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3CCC(=O)N[C@H]3C2)cc1 1690678458 WSYXDRKRRWAQBL-HKUYNNGSSA-N 438.532 1.744 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690681369 OGZOOUZRGPFGSD-HSZRJFAPSA-N 438.532 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC(N)=O 1690724667 UBUFBIWBTLXZBI-WMLDXEAASA-N 449.533 1.092 30 10 IDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1690751282 YKGASUMXQZWZIN-UHFFFAOYSA-N 433.559 1.883 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCC1 1691237473 SMBYPYDHYVCVAR-HZPDHXFCSA-N 448.524 1.230 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CCO1 1692605455 KLVLJXJJKZXFHW-XXBNENTESA-N 438.532 1.925 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1705780568 RQPWVYFSAZQOSA-AZUAARDMSA-N 429.613 1.905 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1705830160 KGIBMVKEHLYGEB-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]1c1nncn1C 1705936648 VPUWTZZOBSJBIV-JKSUJKDBSA-N 435.554 1.243 30 10 IDEE CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1710871021 CKXKCNMQODVCHO-UHFFFAOYSA-N 444.561 1.892 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1711028769 ZPSOHIMMZIULHQ-CVEARBPZSA-N 437.472 1.864 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CCOC1 1711624261 LPFLPXQXXRYWEF-QFIPXVFZSA-N 426.521 1.973 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(-c4cnccn4)n3CCCOC(F)F)CC2)nc1 1712880823 HOXAVLKHFUUNCB-UHFFFAOYSA-N 441.446 1.958 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O 1722278977 NTBFDWJURNDQHW-CQSZACIVSA-N 431.566 1.531 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1Cl)N(C)C 1722341892 FOROBMCCMFWQHU-WMLDXEAASA-N 438.985 1.914 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1722360256 FSJNRXAYUZWBSZ-MSOLQXFVSA-N 428.562 1.309 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OCCC)CC1 1722442037 WDKABYOEKVYJDE-UHFFFAOYSA-N 437.548 1.388 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1722449641 NFGFGTJVGNDVPR-ZWKOTPCHSA-N 442.564 1.181 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1722504783 PKLASWRCWDKBPT-BJLQDIEVSA-N 427.553 1.788 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722580432 JUXJTHYZHRHRSF-UHFFFAOYSA-N 445.612 1.763 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1722676464 AWTKDFNPEDWLFS-KRWDZBQOSA-N 442.520 1.339 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722704120 OFONRMUXZFOYFA-QFIPXVFZSA-N 433.553 1.628 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722705842 ISSJMIWBRZSNQU-INIZCTEOSA-N 426.521 1.389 30 10 IDEE CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1728704896 CHIBSVMOIPJCQX-IRXDYDNUSA-N 430.513 1.568 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1740617989 ZXENCXFASHIJBI-UWJYYQICSA-N 448.545 1.507 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1740640133 ZGMCBMIWNAQVGW-OALUTQOASA-N 443.573 1.929 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCOCC1 1740641324 HMALBQDXWJGRBW-UHFFFAOYSA-N 440.573 1.453 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1740660273 MDTNVOODBOSGCP-UHFFFAOYSA-N 428.924 1.847 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCn2cc(Br)cn2)CC1 1740695992 IVIUROGTUZVPPD-MRXNPFEDSA-N 448.369 1.587 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCOCC2)CC1 1740696916 KTVLMNGSHHHDSZ-UHFFFAOYSA-N 425.533 1.174 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740791904 SMVQHGKMLIVMJH-UHFFFAOYSA-N 433.520 1.865 30 10 IDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 1740847927 YCFVYIJQJYRCSG-MRXNPFEDSA-N 430.509 1.559 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1740953405 FKLJMHVGNBMYSL-UHFFFAOYSA-N 433.534 1.269 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740960304 PCKXAYQLVFFIBP-KRWDZBQOSA-N 439.495 1.422 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1740991622 AQXPNNQDAMDPKT-INIZCTEOSA-N 425.599 1.820 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1741129540 FBDBUTAUNVPGNE-IUODEOHRSA-N 427.900 1.764 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2o1 1748790527 ISPKKCQLBGFYCU-IBGZPJMESA-N 443.529 1.669 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748823959 GHGUDEOKMBNUCA-CEXWTWQISA-N 435.594 1.631 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1748926136 AKXFPBNPFNXKGH-GOSISDBHSA-N 426.496 1.713 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(F)(F)F)CC1 1749009327 HZIZCIQFOBBQPA-CQSZACIVSA-N 426.443 1.538 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCn2cncn2)CC1 1749017215 XGGHSYDZXSXRJO-UHFFFAOYSA-N 436.495 1.266 30 10 IDEE C#CCSCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OCC)CCOC1 1749048609 RXHWEZQAYDHALN-HXUWFJFHSA-N 435.550 1.375 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749126651 FLSUWNYYSHGEHF-WDSOQIARSA-N 446.577 1.791 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749223731 YZVZEEKQEBPDMG-UHFFFAOYSA-N 449.515 1.996 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1749234881 BFWBTVZQEVTJQI-OWCLPIDISA-N 446.533 1.050 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749241476 OWHYAGNTUZEHAP-GCJKJVERSA-N 448.568 1.467 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCNS(C)(=O)=O 1749257832 CBTGXSQQLWAJKS-UHFFFAOYSA-N 429.930 1.700 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749402092 JAULRHUXAAGCMJ-JKSUJKDBSA-N 430.596 1.550 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1749485331 QTOKEGBGMWBNSC-UHFFFAOYSA-N 431.522 1.544 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2OC)C1 1749707483 FUNHSMNEIULHED-CVEARBPZSA-N 428.493 1.471 30 10 IDEE CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1750706976 HAISVSWKIDAGIA-VHEBQXMUSA-N 431.541 1.354 30 10 IDEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CC(=O)N2CCOCC2)cs1 1751770820 PORKKSQVCOLZFI-UHFFFAOYSA-N 429.550 1.623 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OC 1760117314 NXBFUNBYYFNIAU-LPHOPBHVSA-N 447.561 1.434 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760201747 ZJJPCSTXLXYZQA-PMACEKPBSA-N 438.557 1.617 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760358920 BWFXNEGYKWOPGO-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NCc2ccccc2)CC1 1760381865 CISNPLPBXDFXJT-QGZVFWFLSA-N 446.577 1.751 30 10 IDEE CC(C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760935157 MXHGMDRIWMDLKX-ICFOKQHNSA-N 441.458 1.612 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCCCS2(=O)=O)c1 1770735013 BCEXBQKJZPWFFZ-KRWDZBQOSA-N 428.518 1.110 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)CC1 1771361091 PXEMSDLGXNPBEX-UHFFFAOYSA-N 444.561 1.715 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@H]2CO)C1 1771529245 JXJMEGOLJMLHLV-UGKGYDQZSA-N 427.528 1.943 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CCOCCCO)c1 1771531321 KKWXCOIHSWDAQS-LJQANCHMSA-N 438.532 1.711 30 10 IDEE C=CCC1(S(=O)(=O)N2CCN(Cc3cnnn3-c3ccc(OC)c(F)c3)CC2)CC1 1848483969 AJQBHKCSGZIXGH-UHFFFAOYSA-N 435.525 1.971 30 10 IDEE COc1ccccc1CN1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851529538 CTDMLNHORWLHGJ-CYBMUJFWSA-N 447.435 1.914 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2CCOCC2)cc1 1852837213 BVUBYJNUZUMPKM-FQEVSTJZSA-N 429.498 1.315 30 10 IDEE CC(C)[C@H](C(=O)N1CCC(COc2cccc(C#N)n2)CC1)N1CCS(=O)(=O)CC1 1853267220 VYRXQCPBELXPLB-HXUWFJFHSA-N 434.562 1.326 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCOC2)C(=O)C12CCCC2 1856258805 XEUWUUCGJAFUQM-QGZVFWFLSA-N 431.514 1.657 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cnc4ccccc4c3)C2)CC1 1857062747 PADTWUKDRGNFNO-GOSISDBHSA-N 426.498 1.789 30 10 IDEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1O 1874435074 LPHCJDNAMCPTIX-ODCIPOBUSA-N 435.506 1.802 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)CC1 1889612226 ONJBJBPUFSFLDU-UHFFFAOYSA-N 437.581 1.945 30 10 IDEE COc1ccc(O[C@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890229109 QXCMZQWXIMVQGT-HXUWFJFHSA-N 429.561 1.721 30 10 IDEE COCCCn1c(C(=O)N2CCC[C@H]2C#CCN(C)C)cc2c(=O)n3ccccc3nc21 1890353986 WOMDUBPGGMPXGM-GOSISDBHSA-N 435.528 1.855 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CC2)CC1 1891084685 IIDQASXXDQJHIT-OAQYLSRUSA-N 440.588 1.453 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1F 1891257498 GHKFJGMOPVJZCJ-UHFFFAOYSA-N 427.390 1.909 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1988631142 AXCQUDOJDHZJCI-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2184060614 ZLXVXKIDLLTNOF-KKUMJFAQSA-N 440.294 1.990 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2243399072 JTCCHNLYSCIFQN-GFCCVEGCSA-N 426.344 1.663 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2255539044 UDHFARQUGJBQFF-SFHVURJKSA-N 427.232 1.664 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255646175 UIKQYUXYKRZYBJ-CTYIDZIISA-N 432.330 1.809 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC(C)(C)COCc1ccccc1 2255753964 UPRNENQZRNHKTD-UHFFFAOYSA-N 449.382 1.993 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C 2255833722 HOYVTTZXAGIBQE-CYBMUJFWSA-N 436.362 1.918 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2257492916 ZETZVDHTBDTPOC-UHFFFAOYSA-N 433.314 1.970 30 10 IDEE Cc1cnc(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267115229 HLLXCZMJMUJVBT-UHFFFAOYSA-N 447.341 1.401 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)n1 2267186581 LOWGDGHQRYWUNM-QWHCGFSZSA-N 439.243 1.677 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21 2267217692 KLEUBTCKWUULFF-MJBXVCDLSA-N 447.345 1.242 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)n1 2267542767 WYKADPIIFLTMME-OKILXGFUSA-N 447.345 1.338 30 10 IDEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)ccc3C2=O)cc1 2297475407 KUCDSPHBCLBMJW-INIZCTEOSA-N 441.392 1.734 30 10 IDEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)c2ccccc21 33272721 NLBLARSSFUEWEU-UHFFFAOYSA-N 446.507 1.735 30 10 IDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC3=O)[C@H](OC(C)=O)CCC(C)(C)[C@H]1COC(C)=O 257477911 LUXJXSFHXOVGTA-KSOFIWRXSA-N 448.512 1.973 30 10 IDEE biogenic CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 409837480 TYXFQOJNWCNYRV-BXUZGUMPSA-N 425.454 1.573 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 426854519 AGEPJAGZGMBSSJ-UHFFFAOYSA-N 441.513 1.917 30 10 IDEE CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(c2cnccn2)CC1 434421900 OBTMMNCANWPYPH-HXUWFJFHSA-N 433.516 1.760 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)c1 479590444 DBFBOZOTFHUDGM-OAHLLOKOSA-N 426.498 1.679 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@H]1CCCO1 480941091 XMIKTJJMIRWNFE-MRXNPFEDSA-N 445.541 1.248 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481983891 SVHFZRSZTDWBDK-AWEZNQCLSA-N 428.539 1.050 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 483984838 KMSMSTFUEVQSSD-OAHLLOKOSA-N 439.354 1.846 30 10 IDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 500697658 MWTJUUMHOOBZSP-GOSISDBHSA-N 425.576 1.989 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 503641217 DEYCMHFKHUOVCM-VWLOTQADSA-N 426.336 1.921 30 10 IDEE C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 503673261 UKFGVCQTOOIBKL-ABAIWWIYSA-N 429.531 1.900 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 538138072 BSPHYTAZNPHZNH-UHFFFAOYSA-N 440.547 1.334 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCCO1 549471694 FCDNFCWWJOXPCC-MJGOQNOKSA-N 441.536 1.774 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 553854049 QVBVOJBFONBNIN-NRFANRHFSA-N 431.496 1.124 30 10 IDEE CC(=O)N[C@](C)(C(=O)NCc1cc(F)c(C#N)c(F)c1)c1ccc(S(C)(=O)=O)cc1 561938108 GPXVQZWRRGILRO-FQEVSTJZSA-N 435.452 1.908 30 10 IDEE CN(Cc1cccc(C#CCO)c1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703981690 UGJAZZZWXCRFQN-UHFFFAOYSA-N 426.494 1.478 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2cocn2)C1=O 730725447 UQYCAIDAVCLGPS-QGZVFWFLSA-N 426.502 1.746 30 10 IDEE N#C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCN1C1CC1 732650013 XIVSTBJYZLMYNO-MRXNPFEDSA-N 438.937 1.173 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CCN1C1CC1 732705757 GWSAZHPJPJIDTP-JOCHJYFZSA-N 436.560 1.356 30 10 IDEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 741249776 YHPZOOWFHTVWDQ-UZLBHIALSA-N 444.532 1.620 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 743107655 ACKCDPMEJSWRDB-URMWMRNBSA-N 433.534 1.630 30 10 IDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)OCc1ccnc(C#N)c1 747008512 VADOGMZKBHFBHU-QGZVFWFLSA-N 431.470 1.238 30 10 IDEE Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 753144931 XMODXWPXRUHWOG-ZRZAMGCNSA-N 446.555 1.620 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758069756 XDDYKFYOYKXQQD-UHFFFAOYSA-N 444.900 1.380 30 10 IDEE CNC(=O)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 758488802 UZBCNDLZHAWLSM-CLCOLTQESA-N 444.513 1.877 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 761959900 FKUZZSKASCRWAU-FMQUCBEESA-N 434.456 1.331 30 10 IDEE CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780174373 BXFVFDKKSOAOTR-XOBRGWDASA-N 425.482 1.480 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c(OC)c1OC 780962994 NLLYMFTWKNZMHK-IBGZPJMESA-N 439.468 1.602 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781662267 WRUHDYOUSUMSOG-UHFFFAOYSA-N 429.501 1.949 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 784544971 DLMKCZBGHBVSBB-ULQDDVLXSA-N 441.513 1.999 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N=c3cc[nH]n3[C@@H](C)C3CC3)CC2)o1 796278112 ATRQAYDOKPOVPY-ZDUSSCGKSA-N 426.477 1.842 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 797769445 CRYFRQXICPURNJ-WIYYLYMNSA-N 430.482 1.590 30 10 IDEE CO[C@H]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 815386570 NSVGRSXWNJYWIN-ROUUACIJSA-N 449.529 1.140 30 10 IDEE Cc1ccc(N(CCC(=O)N[C@@H]2CCN(O)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1 820174981 PXHBMAWGZARWOW-LJQANCHMSA-N 431.514 1.995 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCOCC1 920290404 VNPPNJCJVAXZMN-SFHVURJKSA-N 436.578 1.368 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 1152974906 XNIZZTONHCCVIS-UHFFFAOYSA-N 442.419 1.586 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(N4CCOCC4)CCN(C)CC3)n[nH]2)c1C 1161810312 NMAJTWKUOSHWKY-UHFFFAOYSA-N 441.580 1.602 30 10 IDEE C=CCc1cc(CNC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc(OC)c1OC 1225350809 PCWQEMYZTYIKMH-UHFFFAOYSA-N 438.546 1.922 30 10 IDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC2=O)cc1 1266190660 FPJDPXCENFNZJM-RDJZCZTQSA-N 447.499 1.397 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1286274782 PAVGKMWQTIYXBM-JKSUJKDBSA-N 441.561 1.795 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286337055 VHNFNIYDUTXCHQ-OAQYLSRUSA-N 430.578 1.958 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1286386757 HBIIJKZAOGIXDV-HOTGVXAUSA-N 436.509 1.372 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286393105 KBYFYDIQDMARIM-RBUKOAKNSA-N 444.557 1.796 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1286395980 UUHZYPAAZRIHPE-QUCCMNQESA-N 444.605 1.621 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1286484984 STETWOPHXYEPOF-QZTJIDSGSA-N 442.589 1.576 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC=C)C1 1286700620 PQHQWUMAPJMGRS-SJORKVTESA-N 425.555 1.359 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](C)C1 1286819282 GDRHGHBELBNGLI-KBPBESRZSA-N 437.522 1.220 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCCC2=O)CC1 1286824625 FZDCYQSBAUVPCH-QGZVFWFLSA-N 437.566 1.322 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286832171 IMGBSLNNRJJZIK-INIZCTEOSA-N 429.612 1.563 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)N2CCOCC2)CCOC1 1288282876 WDSNEPIADKGYEF-UWJYYQICSA-N 434.541 1.306 30 10 IDEE Cc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1290193747 BXMOVGNVZPDRHS-WMZOPIPTSA-N 432.550 1.706 30 10 IDEE CCOCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1297461203 CUGZPSKUDMOVTD-IBGZPJMESA-N 440.552 1.998 30 10 IDEE CO[C@H](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1299612195 POYWHJANZVMKDQ-FVQBIDKESA-N 428.459 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)S(=O)(=O)CC 1300291825 UWWUVRFSPKHWDW-HNNXBMFYSA-N 433.534 1.803 30 10 IDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1300300860 LPAJIHGICQJVQT-MRXNPFEDSA-N 432.464 1.997 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300622437 YTEKSTILDNEHAV-IRXDYDNUSA-N 428.537 1.965 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2OC)CC1 1301084855 ATISVVZOUDKDRK-MRXNPFEDSA-N 433.534 1.797 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1301086945 PYLNQBJGDXUWEZ-BZSNNMDCSA-N 439.582 1.583 30 10 IDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301435644 ILUWCOGCUBVGIL-LJQANCHMSA-N 447.561 1.771 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1301527298 XKNZUYDRJRXLCH-HKUYNNGSSA-N 438.532 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1F 1301568926 ZGPFZOCBHQKNDY-UHFFFAOYSA-N 449.552 1.933 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1301579870 ZRUPBFRMTVQQOL-HNNXBMFYSA-N 426.502 1.756 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1Cc1ccc(C#N)o1 1302024074 KCOCQICIMCWXSG-OAHLLOKOSA-N 443.508 1.509 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)cc1C 1304382652 FVKMKHLDJGPAOP-UHFFFAOYSA-N 433.472 1.939 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1313916187 XILFVMYFESNRHU-DXIQSLLYSA-N 432.569 1.922 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1314893401 QCFQVCYXVLBEBS-FQEVSTJZSA-N 449.533 1.015 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CCO1 1315950007 CZDYORMGDLQFNW-IBGZPJMESA-N 427.505 1.885 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1316102667 ZNOIHBQCYJDXSM-AWEZNQCLSA-N 448.325 1.801 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CCO1 1316540996 QBUVGNFUOLKNAQ-RYUDHWBXSA-N 439.485 1.204 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1358949597 IFHPAHXOBNUQJI-KKSFZXQISA-N 437.541 1.443 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1 1358971632 CKTHROWGHLEIMU-UHFFFAOYSA-N 448.552 1.906 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1359060120 KZICTTOPYNBADO-GOSISDBHSA-N 425.566 1.939 30 10 IDEE C#CCSCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359062858 WCOKTBKZEPTBLZ-FGSXEWAUSA-N 447.605 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)Cc1cnccn1 1359330121 HUQJXJOKLXOFPD-UHFFFAOYSA-N 428.518 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359331403 XNFDTXWPDIQUCL-SFHVURJKSA-N 434.566 1.532 30 10 IDEE CC(C)NC(=O)c1nnc(N2C3CCC2(C)CC3)n1CCN/C(O)=C1/N=CC=CC1=O 1360184242 FJBKBSLGZHCBJX-VLGSPTGOSA-N 427.509 1.464 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1446992971 YSUHIWYNPUXMDB-SIRSKZSMSA-N 440.566 1.313 30 10 IDEE C=CCC[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OCC 1449694434 KXSGUZNJAJAKHX-KRWDZBQOSA-N 432.477 1.891 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1452868234 ZQIQFLQVRKVUGC-KSFYIVLOSA-N 449.507 1.660 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1453391329 ZJODOMOXZNTJIS-UHFFFAOYSA-N 449.514 1.545 30 10 IDEE C=CC[C@]1(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1456437801 ZUWZLYQXDVZPAX-OYHNWAKOSA-N 447.536 1.527 30 10 IDEE N#Cc1cnccc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1459174195 QDNBEIZIOHIKCS-UHFFFAOYSA-N 432.527 1.383 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)C1=O 1460602119 FKKBGCUPNPGTQG-DNQXCXABSA-N 446.511 1.827 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1469535008 NIWXWKHZQWPSDX-LJQANCHMSA-N 441.532 1.675 30 10 IDEE COc1ccccc1-c1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)on1 1470501323 SOZGUFNNKKRPPC-UHFFFAOYSA-N 426.454 1.817 30 10 IDEE COc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1471192466 RXVYAAOCQCUVFZ-INIZCTEOSA-N 443.504 1.586 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1472439559 ZYSVGOMSLKCSDH-GASCZTMLSA-N 428.938 1.860 30 10 IDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507580693 JYQAMFMBVUUIAP-GOSISDBHSA-N 427.505 1.717 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507635182 QCSMFAFKAWPJGA-WOJBJXKFSA-N 442.589 1.375 30 10 IDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(=O)(=O)CC)CC1 1507725724 ZUTVHUTWFKRYHM-UHFFFAOYSA-N 440.573 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(COC)CCC2)CC1 1507738726 WRTTUJMFUDWZRP-KRWDZBQOSA-N 428.537 1.012 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCc1cnccn1 1507804616 HEHLZHATMCSEME-LAUBAEHRSA-N 425.537 1.851 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)cc2)CC1 1507896076 GWXMLPIUAHTGIZ-AWEZNQCLSA-N 432.550 1.438 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507936308 AWPSCYJVGTYGCG-UHFFFAOYSA-N 447.565 1.657 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508075576 XIGHXKOHFMODNY-CQSZACIVSA-N 444.883 1.565 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 1508144156 QYFORBCBMGEJLQ-SFHVURJKSA-N 431.562 1.366 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508412681 DGXWXUFIZPHHJP-RDJZCZTQSA-N 427.534 1.694 30 10 IDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)cnn1C 1510515005 FGPCAGPOEPNPAT-UHFFFAOYSA-N 448.531 1.911 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)CC(=O)N1C 1512419245 IUVFSRCYXSZCSW-INIZCTEOSA-N 444.561 1.699 30 10 IDEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1513752291 UJGYOVVSGSHSSA-ZBEGNZNMSA-N 427.531 1.397 30 10 IDEE COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1515130676 KMUMLIGAIKYGAS-GOEBONIOSA-N 444.488 1.858 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@@H](C)O1 1518911209 BXOAKKJIIIBTMO-OPYAIIAOSA-N 440.548 1.778 30 10 IDEE COCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1519035321 KRALEUSVZJNZJV-ROUUACIJSA-N 440.552 1.975 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](n4ccnn4)C3)CC2)cc1 1529270738 BPPPXJOWDJGNCW-GOSISDBHSA-N 428.518 1.414 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCNC(=O)c1cccc(OC)c1 1539271900 NFIOWNXMHQNDPZ-UHFFFAOYSA-N 428.496 1.775 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1539323773 LDEIWFKGUVBBHQ-RTBURBONSA-N 431.606 1.764 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCn2cc(Br)cn2)CC1 1539446814 JSNBVJMGPFNBDX-INIZCTEOSA-N 448.369 1.587 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540869462 OAXBXNSLHQZSMH-UHFFFAOYSA-N 449.519 1.076 30 10 IDEE CC(C)CCN1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1541521531 HAUKIBLVGOXCCB-IBGZPJMESA-N 431.585 1.903 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCSC2)C1 1541987725 DOQBWNJGOXAOGC-PMACEKPBSA-N 427.534 1.923 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cs1 1542926352 XIFKVOPLKXCPIO-OAHLLOKOSA-N 438.579 1.576 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C1 1555601191 KMSBSABWDVCWTK-VQIMIIECSA-N 440.548 1.955 30 10 IDEE C[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1555943045 WNLPMOHALPJILX-YBTPXPDKSA-N 428.537 1.744 30 10 IDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1556132575 ONRCTEGOJYOBGI-UKRRQHHQSA-N 448.524 1.934 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCS(=O)(=O)CC 1557027124 ADSKKHVXCXPGCB-HNNXBMFYSA-N 429.564 1.225 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)C1=O 1557914166 CHENQXLRPXKFTB-ZEQRLZLVSA-N 447.495 1.941 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](c4cnccn4)C3)CC2)cc1 1558526647 NXKVBRUEPCQWSP-SFHVURJKSA-N 425.514 1.765 30 10 IDEE CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643254 QBXNWMMXHPZTPA-GQWAEJPESA-N 435.502 1.511 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CN1C(=O)OC(C)(C)C 1559022999 GVOKFOURJOBVCQ-ZBFHGGJFSA-N 436.534 1.741 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)C1=O 1585501904 WBGROCILXXHNBI-ILXRZTDVSA-N 436.509 1.361 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1588128409 KENMOWPLCUFIPB-UHFFFAOYSA-N 444.495 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC 1588194703 ZDYZSRLGMRJVEL-UHFFFAOYSA-N 429.546 1.695 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588780459 QREMPMULSHWNHW-UZUQRXQVSA-N 441.532 1.257 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1595218845 PCXBWEDMJZWTPC-HNNXBMFYSA-N 430.596 1.572 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)[C@H]1CC 1595475830 GQNIFYMOPMJEEI-GDBMZVCRSA-N 430.484 1.574 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1595570190 ZRUFRACZFDLXMP-MRXNPFEDSA-N 426.521 1.909 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCOCC2)C1 1595744098 JVFQIZJZQAUPQZ-GOSISDBHSA-N 432.569 1.293 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(C(=O)NCCOC)CC2)nnc1C(C)(C)C 1595830455 CMYHEHILXDDBJF-UHFFFAOYSA-N 441.598 1.155 30 10 IDEE C#CC1(O)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1603205430 OYVDLGUIOPJIEW-ZDUSSCGKSA-N 427.320 1.056 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1610292456 DAJZQECKKXVDHJ-UHFFFAOYSA-N 431.522 1.018 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@H](C)O1 1612909147 HRUFUHFWVFUKOS-HOTGVXAUSA-N 445.545 1.370 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)CC(F)(F)F 1620110838 CJCBMELJNHKMQH-KKUMJFAQSA-N 432.447 1.225 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 1623908873 PPHBDCYMQGAJRQ-KRWDZBQOSA-N 439.534 1.860 30 10 IDEE N#Cc1c(CCCNC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)nn(-c2ccc(F)cc2)c1N 1624380571 LZDFZQGUGCQZKB-XMMPIXPASA-N 446.486 1.972 30 10 IDEE CC(=O)N1CCC(N(Cc2cncs2)C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1624896312 ROGRVVPGIRJMHL-VXPUYCOJSA-N 431.518 1.399 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)C1 1627794892 BESYFKKKEULFLV-NRFANRHFSA-N 434.496 1.979 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1628547600 HKVMZBAPRJLERE-HNNXBMFYSA-N 439.877 1.956 30 10 IDEE CC[C@@H]1[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1637060688 JOBWGKDLKLNIKS-XTDOFWJNSA-N 426.539 1.354 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cn3cc(Br)c(O)nc3=O)C2)nc1 1638905994 IGTZYUNMCNDWMX-GFCCVEGCSA-N 433.266 1.081 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1640636785 COXDUUVBXRHKGM-JKSUJKDBSA-N 443.447 1.342 30 10 IDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)C[C@@H](O)c1cccc(C#N)c1 1643725690 JSNKFQZYIRRMDN-MGPUTAFESA-N 430.530 1.801 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCNS(=O)(=O)c2ccc(C)cc2)c1 1644713176 DBIUYMMYVIGNHZ-UHFFFAOYSA-N 428.514 1.535 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)CNc2ccc(C#N)cn2)CC1 1648312504 DWPKEOPCWJGJID-KRWDZBQOSA-N 442.520 1.435 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NC[C@H]1CCCN(CC#N)C1)N2C(=O)OC(C)(C)C 1648595357 JWUXLUOHABOAOR-RSJGLCBASA-N 434.537 1.525 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CCO2)O1 1651405182 MXEAVZGXDFWIBC-BZSNNMDCSA-N 442.472 1.142 30 10 IDEE N#CCSc1ccccc1NC(=O)Cn1cc(I)c(O)nc1=O 1651986793 YQHCBECHWLDYJS-UHFFFAOYSA-N 442.238 1.808 30 10 IDEE C[C@@H]1CN(c2ccncc2)CCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1652167929 WXWUPJCLZNYWOY-UZLBHIALSA-N 432.484 1.896 30 10 IDEE COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1684753010 LUUAMNJURLEVMR-FQEVSTJZSA-N 433.512 2.000 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1689966608 WULQNOIYWQDHMC-SJORKVTESA-N 427.530 1.303 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1689980703 WHXXBBFPVXBTDI-QGZVFWFLSA-N 445.593 1.589 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689992360 JZTJVUMBSXPHCB-FQEVSTJZSA-N 442.589 1.377 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCCN2CCN(CC)CC2)CC1 1690144033 JYZVXTQDQGMFBO-UHFFFAOYSA-N 441.624 1.539 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690244235 VFFUGGYENKAUJP-LPHOPBHVSA-N 446.577 1.839 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1690622485 QLVCIHCVYBMBNP-DLBZAZTESA-N 434.566 1.593 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1690720828 SUUAKIXXRWBOSM-UHFFFAOYSA-N 448.549 1.016 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1690725499 SBVLCWIUOQHSQS-IBGZPJMESA-N 445.589 1.996 30 10 IDEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1697777666 FMNJDMLCATVWHE-HXUWFJFHSA-N 438.511 1.857 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1697997219 NGIQDMPNDCONQS-SFHVURJKSA-N 437.504 1.620 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1705477245 LGGWOMOKWZHYCE-DLBZAZTESA-N 441.561 1.639 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)C2CC2)c1 1705504133 NXULWHXSZZFWIT-HSZRJFAPSA-N 438.532 1.634 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1705534764 QYTHWUJVXLQZOE-HZPDHXFCSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1705570544 RFUMEKPPZXQLFP-FQEVSTJZSA-N 431.606 1.899 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1705583406 XMJYNESGSORJCO-LPHOPBHVSA-N 426.498 1.298 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](COC)OC)CC1 1705646490 ZJGCXYNBHTULQO-HXUWFJFHSA-N 441.532 1.581 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705659895 IWQZRIZRYBOLHG-CVEARBPZSA-N 427.596 1.404 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1705668849 VLAFGFQQHWSKSL-YCRPNKLZSA-N 447.561 1.946 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1705674291 FBHKGHWYQSINGH-FRQCXROJSA-N 439.607 1.499 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 1705754734 FAQKDLOXSNCNFT-LSDHHAIUSA-N 433.962 1.369 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705811474 YENJYMCJAIRDKF-HXUWFJFHSA-N 447.628 1.614 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1705843347 CSQNMWOWNQVTBI-GJZGRUSLSA-N 427.571 1.963 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1705912320 GOZUKJPXIMIOQJ-WBVHZDCISA-N 446.533 1.230 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(C)(C)O 1706896670 WGBMYHNVHMYALR-OIISXLGYSA-N 432.550 1.403 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC=CCO2)c1 1722305073 CNCNHEFQLOUZFU-FQEVSTJZSA-N 448.527 1.915 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722315384 ZIGLXTJDQKRSAS-OAQYLSRUSA-N 444.543 1.887 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C2CC2)cs1 1722353180 SPZQAFAEKWLRJI-HNNXBMFYSA-N 436.563 1.063 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1722362545 PZSICLJKWSDBDO-UHFFFAOYSA-N 429.546 1.931 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722364966 JSJGJOGSKVBRCH-GOSISDBHSA-N 446.548 1.940 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 1722473431 DAKQYJKEXWHCED-VQIMIIECSA-N 435.575 1.713 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)C(=O)C1 1722508619 SWTFQQDULUBUFC-PXNSSMCTSA-N 428.537 1.560 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CCC1 1722632005 DDDZLRZYCSOPRU-UHFFFAOYSA-N 438.575 1.938 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1722694917 MCGVGFAAXPHDSQ-UHFFFAOYSA-N 436.520 1.764 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722700382 GWXVOSQSJRCNDD-PMACEKPBSA-N 439.564 1.113 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1722863144 HYQAZJUUUBNAJD-OLZOCXBDSA-N 437.501 1.262 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1723946430 XTBDZAAPMULIRD-KPOBHBOGSA-N 449.581 1.029 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1740552919 YLMSDPNYEIYQRZ-SJORKVTESA-N 435.532 1.371 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1740553487 STQVRBWPQGBLNN-AEFFLSMTSA-N 429.546 1.297 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740573930 DJMMWXNYUSBBNL-OAQYLSRUSA-N 435.576 1.810 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 1740616446 BFUQGEIWNAGWIS-LEWJYISDSA-N 443.573 1.114 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1740685246 CRPWQPAFUZKQKE-IBGZPJMESA-N 437.610 1.388 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CCOC)CCC2)CC1 1740701169 WYOTTWWJNVOEOJ-PMACEKPBSA-N 431.581 1.964 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NC(C)C)CC1 1740701603 MVYLDWDRQAYHOZ-UHFFFAOYSA-N 438.532 1.444 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1740702934 ZJBQWTGVNVVVBX-UHFFFAOYSA-N 438.532 1.280 30 10 IDEE C=C(C)Cn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1740784894 BQGCALRBMZMLEV-JXHRLWIKSA-N 446.596 1.495 30 10 IDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1740822751 ONSCDTLPMDDVNM-CYBMUJFWSA-N 426.905 1.275 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1740875599 GPFOPYQOPKULNQ-INIZCTEOSA-N 436.582 1.531 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740953666 NEYYKSHGPFKPTF-CQSZACIVSA-N 448.474 1.906 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCc1nccs1 1740959308 RKEMIHNFJBHIRN-UHFFFAOYSA-N 429.506 1.443 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CC1COC(C)(C)OC1 1740991651 AVYZGFFWKPUPMN-MRXNPFEDSA-N 428.555 1.218 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1741133919 VFRDJDVEPZCWLR-AWEZNQCLSA-N 438.504 1.778 30 10 IDEE Cc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1742204722 IUMKKKHYFIQDFM-HTXNQAPBSA-N 426.477 1.988 30 10 IDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1744697183 PTQXXYWEESNEER-LPHOPBHVSA-N 425.512 1.500 30 10 IDEE CCn1cc(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1746353620 PTBMTBIHUHJMLU-QFBILLFUSA-N 428.541 1.443 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1748757491 DOOAZTHOMYHOKO-LJQANCHMSA-N 438.536 1.320 30 10 IDEE COc1cccc(C(=O)NCCn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)c1 1748891106 BDMIDVXDESQSPI-GOSISDBHSA-N 435.488 1.451 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749024546 URGGWAWCUAFWAB-NVXWUHKLSA-N 445.501 1.580 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749126650 FLSUWNYYSHGEHF-UHOSZYNNSA-N 446.577 1.791 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1749507191 UHTSHWYKQIIEEJ-OKILXGFUSA-N 428.559 1.220 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOCC1 1749730693 NCGSWLAFSHZNBR-UHFFFAOYSA-N 430.490 1.031 30 10 IDEE CC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)COC1 1751309105 XXFKLLDEFZAXQX-OWCLPIDISA-N 432.525 1.814 30 10 IDEE Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1751585727 ICIFKHDVQALRRG-GOSISDBHSA-N 438.554 1.870 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760189285 TXQDZTNXLIYFIM-GDBMZVCRSA-N 437.566 1.695 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760189364 OQUQTVGHSNQEHY-GOSISDBHSA-N 446.577 1.512 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C(N)=O)CCCC2)CC1 1760268455 KBSVZENRMXBYNB-UHFFFAOYSA-N 449.559 1.660 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760281272 PSZQSFUAXLRAPS-GOSISDBHSA-N 442.593 1.041 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1760282168 XCAHTLCCPLYNOR-OAGGEKHMSA-N 439.607 1.212 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCN1CCOCC1 1760461344 PQQLOJPXRCAMTA-UHFFFAOYSA-N 447.609 1.973 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)(C)C)CC1 1760514407 DXAIYBYOSXWRFI-UHFFFAOYSA-N 440.552 1.538 30 10 IDEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1761425950 FFAJWQIBDMMAPG-JFIYKMOQSA-N 425.541 1.456 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)[C@@H]1C 1763007111 WJFZFLWDZHEBPJ-RKVPGOIHSA-N 437.504 1.952 30 10 IDEE CCCN1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1766140924 FGKSSNAHFIVJQF-XUTLUUPISA-N 441.536 1.521 30 10 IDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1766859369 DLGMQNVBKWRFHS-UHFFFAOYSA-N 430.534 1.166 30 10 IDEE CCN1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1767123417 PCXKVCPCLKNQSF-BSBNDGSWSA-N 436.520 1.397 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1768659541 DTIKWTIBHQFPGR-AWEZNQCLSA-N 435.410 1.416 30 10 IDEE CNC(=O)CCn1c(CCc2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769340979 YVFQQJMONUEYNK-UHFFFAOYSA-N 431.500 1.734 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC=C(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1769979334 VCILVMPBBLBTPL-OSCRUYLVSA-N 430.509 1.685 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1770056223 YIHJKHAOEHLHFU-QFBILLFUSA-N 427.505 1.977 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1770110411 RUDLYEJMPPTZQT-KNQAVFIVSA-N 427.505 1.864 30 10 IDEE COCCOC1(Cn2c(CC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1771232539 WTBHNLDRHUAKKL-FQEVSTJZSA-N 446.596 1.865 30 10 IDEE O=C(NCC#CCN1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1850069304 MSSSKEZAMBMSAO-GOSISDBHSA-N 443.928 1.084 30 10 IDEE O=C(NCC#CCN1CCCCCC1)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1850099949 MJOHGPBQQXTXFC-UHFFFAOYSA-N 438.516 1.091 30 10 IDEE Cc1nc(=NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)c(C#N)c[nH]1 1852073373 KDWTWTSNZCUCPR-RTWAWAEBSA-N 430.512 1.948 30 10 IDEE COc1cccc(C#CCNC(=O)[C@H]2C[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1852592958 QFDXSKTVQRYTBP-VQTJNVASSA-N 441.528 1.878 30 10 IDEE C=CCN1C[C@H](C(=O)N2N=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)CC1=O 1852763591 XAWRWPBQCUNDQE-OAHLLOKOSA-N 444.513 1.167 30 10 IDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCN(C)C1=O 1852959276 BTEUVJBNSLQHPT-SWLSCSKDSA-N 444.351 1.361 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C(=O)C2)C1 1853632678 MURJMIGGKUCJFG-AWEZNQCLSA-N 427.473 1.228 30 10 IDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(Br)cs2)C1=O 1854174149 BPGHZCYAQJDNOF-CHWSQXEVSA-N 426.336 1.970 30 10 IDEE Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)[C@H]1C 1854919740 JKLDDQZDRCTHQI-CYBMUJFWSA-N 432.889 1.977 30 10 IDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1855507535 QAKXWVYWULGWKC-QGZVFWFLSA-N 425.938 1.740 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc(Cl)c3C)C2)CC1=O 1856803882 VWQQNLKNLLMTLZ-UONOGXRCSA-N 428.894 1.531 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1857069962 DYEFTDMGMYXCIW-HNNXBMFYSA-N 429.473 1.829 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1 1858645478 GQPOAQXVONGDBR-UHFFFAOYSA-N 441.465 1.897 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862179640 PDQCSEGRAGQCLE-WMZOPIPTSA-N 427.501 1.922 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCC(CO)CC1 1870547714 KZLPAOATQFMCLV-FQEVSTJZSA-N 433.549 1.255 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873591830 SLFCLMSUHQRDGG-IAGOWNOFSA-N 440.548 1.973 30 10 IDEE N#Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 1891311278 KWRDBGNMKFOTHR-UHFFFAOYSA-N 440.481 1.415 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 1984989144 CKXCYGAEUTZAPJ-FAGJFJLWSA-N 425.526 1.828 30 10 IDEE C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br)C(=O)OC(C)(C)C 2124711139 YGRLGGHWWGLAHP-UHFFFAOYSA-N 446.323 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255706943 PSXUAJWCQVYFBR-UHFFFAOYSA-N 436.314 1.681 30 10 IDEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)COCc1ccccc1 2255748448 CPEQIOBYXSEEQZ-MRXNPFEDSA-N 449.382 1.851 30 10 IDEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267159117 HCCHGEXLTULXIO-ZSHCYNCHSA-N 444.341 1.713 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C(CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267270991 OUGPYNMPUVBMIX-GJZGRUSLSA-N 444.341 1.619 30 10 IDEE Cn1cc(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2267504456 SDHSURXGGPAQEC-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2267535958 FBPSVRSGNONTJW-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267545685 MKVXTYAGHFSGOY-CQSZACIVSA-N 449.361 1.443 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC(CO)C1 2268712151 VDLCQFUNUGGDGG-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE CCOC(=O)C1=C(N)N(CC(=O)OC)c2ccccc2[C@]12C(=O)OC1=C2C(=O)CCC1 20609279 BWZOMZRPJZSAPM-JOCHJYFZSA-N 426.425 1.215 30 10 IDEE Cc1ccc(C)c(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(CO)c2)c1 22694592 LGYHDTOZACIMCP-UHFFFAOYSA-O 428.578 1.944 30 10 IDEE O=[N+]([O-])c1ccc(NN=Cc2ccc(O)c(O)c2O)c(S(=O)(=O)N2CCOCC2)c1 254848373 JRMDUMGVCKYACZ-UHFFFAOYSA-N 438.418 1.179 30 10 IDEE CCN(CCC#N)S(=O)(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 409497506 CEIXUEMEIQRRMK-QGZVFWFLSA-N 428.942 1.652 30 10 IDEE C[C@H](C(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)n1cnc(C#N)n1 409829765 FTMSCSINVGLXHB-CYBMUJFWSA-N 428.449 1.967 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccccc2I)CCO1 410144390 WIGJNKGXGJUUNH-IUODEOHRSA-N 447.298 1.897 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 461317576 OXTHVCAWLWDEHF-UHFFFAOYSA-N 438.469 1.412 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 484543355 PPQJIZPKBRXEJN-OAHLLOKOSA-N 447.607 1.229 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1C#N 489359129 QQDJLOAVOHBXAG-HXUWFJFHSA-N 425.514 1.374 30 10 IDEE COc1cc([C@H](C#N)NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc(OC)c1OC 505482484 ZGRLLEUSTCTDHZ-NXNIQBKKSA-N 444.488 1.894 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCNC(=O)c2ccccc2F)CC1 508829151 XYCKLWUHFZQNKI-IBGZPJMESA-N 444.511 1.243 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](S(=O)(=O)N(C)C)C1 511063340 HFANBPHQMDNYIV-QGZVFWFLSA-N 439.582 1.307 30 10 IDEE C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513789582 KUEIYVWSMNRGIB-NRFANRHFSA-N 441.465 1.614 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccncc2)c1=O 522283700 HZBCMMGVLZXDCB-UHFFFAOYSA-N 435.505 1.736 30 10 IDEE CCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 523306127 MMUYDHRTHYIZGN-UHFFFAOYSA-N 444.578 1.986 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccccc1 530315773 CAKDFMGTVHSQEI-INIZCTEOSA-N 437.546 1.913 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 539250563 DTHUAOVERCPYPK-ZWKOTPCHSA-N 445.530 1.802 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(C)c1=O 542730377 VQAHWHDDTFLOGQ-UHFFFAOYSA-N 434.477 1.830 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cscn2)cn1 730145355 ZVIUAPKHGQWNNU-HNNXBMFYSA-N 448.574 1.746 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732650223 JIBRZKZSGWNBGN-LJQANCHMSA-N 446.573 1.685 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732696477 GMKRQPMBZWHPCJ-QGZVFWFLSA-N 448.593 1.987 30 10 IDEE CC(C)(C)CS(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 733058372 KVEYAUACIUEIRT-UHFFFAOYSA-N 429.564 1.778 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2csc(Nc3ccc(OC)cc3)n2)CC1 741140994 YADSRGXGFZWPEV-UHFFFAOYSA-N 427.530 1.793 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(Br)cc1F 741339140 BNYQNNIBYWZCEN-WUKNDPDISA-N 440.225 1.986 30 10 IDEE N#Cc1ccc(OCCNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 743608324 ZKXIVQOWAQIWJE-UHFFFAOYSA-N 434.440 1.798 30 10 IDEE N#CC1(c2ccc(C(=O)OCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 777173959 XJFADIHQYAZQPN-OALUTQOASA-N 446.525 1.593 30 10 IDEE COC1(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CCN(C(=O)OC(C)(C)C)CC1 777286549 UFPBZHOGVZPDLG-UHFFFAOYSA-N 437.518 1.920 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-n3cc(Br)cn3)nn2)n1 788810517 VOETXYOPXDHAOB-UHFFFAOYSA-N 444.293 1.543 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@](C)(C#N)CC(C)C)ccc2F)CC1 800916658 HFPVSEHSELZDFG-FQEVSTJZSA-N 438.525 1.737 30 10 IDEE C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCSc2ccccc21 853721552 GLOTXBDSLRZSMG-CQSZACIVSA-N 445.522 1.907 30 10 IDEE COc1cccc(C(C)=NNc2nc(Sc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)n[nH]2)c1 1084355578 UDNWKBNNAUQHAW-UHFFFAOYSA-N 441.477 1.074 30 10 IDEE CC(CC(C)C)=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1 1084529816 BMVBPRYPBUTDDT-UHFFFAOYSA-N 443.584 1.798 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 1124723866 DGSIDXZVZHNBEA-OAHLLOKOSA-N 446.920 1.925 30 10 IDEE Cn1ccnc1C(NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1nccn1C 1131383975 HWLDQMURJOZZHM-UHFFFAOYSA-N 426.502 1.750 30 10 IDEE COc1ccc([C@@H]2[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC(=O)N2C)cc1 1134428886 FMNUGWWESMQYKW-ICSUOEFDSA-N 431.514 1.001 30 10 IDEE N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)nc2n1CCOC2 1135006290 RLVUBGXQCHOLQS-UHFFFAOYSA-N 435.893 1.975 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1175916642 CGSAJHMELKBPDW-OAHLLOKOSA-N 428.507 1.300 30 10 IDEE CCOC(=O)c1c(NC(=O)NCC2(N3CCOCC3)CCOCC2)c(C#N)cn1CC 1206508200 AHJAEVJUUVGASV-UHFFFAOYSA-N 433.509 1.559 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 1286322019 CCKAOOWEBFCTIG-IAGOWNOFSA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1286390747 BWEDFIUHRQSEIE-LJQANCHMSA-N 447.605 1.869 30 10 IDEE C#CCN(c1nnc(CC)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286394578 PBYJDUUOZNTJNH-HXUWFJFHSA-N 429.590 1.989 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1286410716 VQSPLKQZPJBYMT-IBGZPJMESA-N 440.525 1.831 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)nn1C 1286437988 QCUIVXIENFYQPN-UHFFFAOYSA-N 441.561 1.745 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCCC[C@@H]2C)CC1 1286478594 DRZOUQIRRRUPJA-VQTJNVASSA-N 427.597 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@H]2C)CC1 1286489101 FRGNUMKGQDVDES-LJQANCHMSA-N 436.560 1.632 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(N(C)C)CCC2)CC1 1286646088 MSGWUABFFFRJKC-QGZVFWFLSA-N 438.598 1.252 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286821851 VYHUEEOGWJIBHN-QFBILLFUSA-N 431.562 1.868 30 10 IDEE N#Cc1ccc2nc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2c1 1287394356 DQYPDLJKIKTGRM-UHFFFAOYSA-N 429.433 1.847 30 10 IDEE Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290769232 ILHKSDFMBBWLAJ-WXWBBQJKSA-N 442.442 1.643 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@]2(CCCOC2)O1 1291225532 SGYXONGJSJROGU-MBSDFSHPSA-N 441.532 1.990 30 10 IDEE CCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1296058899 DYYUTSVXXKGTJS-APWZRJJASA-N 445.593 1.881 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1300304603 UANBANCSNCIQSD-YOEHRIQHSA-N 427.505 1.956 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCCCO)c1 1300331346 JOZDGZSKZPMHFO-UHFFFAOYSA-N 438.532 1.733 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300482773 GYKGXGACANEQGF-ZWKOTPCHSA-N 437.610 1.265 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300505457 AJFDVNHXJLLZFD-JKSUJKDBSA-N 447.565 1.151 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1300538836 VNRDPDGJWDQXFC-QHCPKHFHSA-N 432.572 1.673 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(C)CN(C2CC2)C1=O 1300547452 MMEMXWVREWXSNJ-XMMPIXPASA-N 433.512 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)cc1 1300553710 PXERATLRDSBAKS-UHFFFAOYSA-N 432.528 1.715 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1300556481 IEHYUYZUDWFTOR-KRWDZBQOSA-N 433.578 1.558 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCO)c(OC)c1 1300596638 UROYWQNNIXGTOB-UHFFFAOYSA-N 427.505 1.402 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)CC1 1300699298 AXUOVCPLFSFZEY-PMACEKPBSA-N 448.637 1.057 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1301595804 BAEWWOXKCXNPFA-FXAWDEMLSA-N 441.598 1.061 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@]2(CCOC2)O1 1305153755 FQIPZAXCHNNFRV-JTSKRJEESA-N 427.505 1.600 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1313191365 UBNGUXBQSGTANR-LJQANCHMSA-N 439.541 1.465 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)C1 1314008282 FUGIQOHGTNBMLL-CRAIPNDOSA-N 448.549 1.282 30 10 IDEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1314824045 WECUEQRCVZHTHQ-GOSISDBHSA-N 425.461 1.458 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 1315425705 APNAZNDUDZHQMQ-HXUWFJFHSA-N 439.564 1.708 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1F 1316492591 UGSRUJTXYQBLHD-LIVBEALHSA-N 449.508 1.073 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCOCCCO)CCO1 1316535441 OQMDCLBJVPLOLG-INIZCTEOSA-N 436.310 1.835 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(OC)CCOC1 1358889575 DKPCFXVWOCONPK-HOIFWPIMSA-N 449.552 1.850 30 10 IDEE C=C(Br)Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359088720 RLFJLYOBJHGUMT-RDTXWAMCSA-N 442.358 1.894 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359221626 IGHNMXZKLDGEGS-SFHVURJKSA-N 433.553 1.881 30 10 IDEE CCOC(=O)N1[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[C@@H]1c1ccc(C)o1 1439798147 SBFXIICBMFQZBR-QCBUCWTNSA-N 435.502 1.647 30 10 IDEE CCNS(=O)(=O)c1cccc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 1451131621 XGKANADQIWNCLM-UHFFFAOYSA-N 449.554 1.992 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3C[C@@H](C(N)=O)C3)nnc12 1457969372 HBKHVXBCYRZLBP-BETUJISGSA-N 426.502 1.045 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 1461384642 CQKVFMUREGUAHG-UHFFFAOYSA-N 436.530 1.897 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC(=O)NC)cc2C)s1 1467497240 GQDHWJUWYYHROK-UHFFFAOYSA-N 437.543 1.827 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1C 1492391443 DUZNLXBXWZHAIX-SFHVURJKSA-N 445.545 1.780 30 10 IDEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCCC1 1503389329 BTCZWYHTGHBTNF-GOSISDBHSA-N 437.548 1.915 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1504957253 JZCBJNMCPUYFGZ-INIZCTEOSA-N 439.582 1.957 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCOC1 1504977346 ZFJPSUZDIBNOKL-LSDHHAIUSA-N 428.493 1.574 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(F)F)CCN1C1CC1 1505321931 ZAGCBENICLVQEM-MRXNPFEDSA-N 437.495 1.362 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507560658 MHTCHLWCJIWCQF-KRWDZBQOSA-N 428.504 1.915 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO 1507678032 PXFLUWZYTMOLCK-NRFANRHFSA-N 438.576 1.881 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(C)nn(C)c1C 1507703951 KGGUZHRQWSQFNA-QFIPXVFZSA-N 430.553 1.803 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2C[C@@H]2C)n1 1507713996 FUGMFLLMSKERGU-ROUUACIJSA-N 425.537 1.653 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)N(C)C)CC1 1507715647 FZRGLODJDMENEW-LJQANCHMSA-N 438.580 1.657 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nccnc2C)CC1 1507719315 NBUHJFVMHOZXHR-HSZRJFAPSA-N 439.564 1.415 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1507746915 VBYZLGLOPQYFEZ-JKSUJKDBSA-N 441.623 1.386 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1507803813 HCGYVEIPLCLCJB-NNXHMXCWSA-N 427.571 1.483 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1508074456 NBPOVOKVZWDQAH-LSDHHAIUSA-N 431.468 1.859 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(CC(C)C)C(=O)C1 1508095482 PTLJZGKAWSHXSG-UHFFFAOYSA-N 449.559 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C2CCOCC2)C1 1508141813 OSZCCNTUWRYNRQ-IAGOWNOFSA-N 437.566 1.083 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508183009 KPPJCEASEQDVGV-VRTBNJGNSA-N 443.552 1.407 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1508793167 JBCDCOCSNGGUFK-HNNXBMFYSA-N 439.586 1.181 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)CCOC1 1509817013 OJJXILNPUWUONN-CNNODRBYSA-N 449.552 1.491 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC2CCOCC2)CCO1 1517534886 DVIZDOWKNOKCEU-FQEVSTJZSA-N 438.532 1.975 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1518637806 FJFNCJPETPFKDY-FPOVZHCZSA-N 438.532 1.973 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1519277285 MZMXLSBCZSTIEN-QRQCRPRQSA-N 442.495 1.778 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CC1 1521115011 MOKLGKMJBHYXOS-SFHVURJKSA-N 436.582 1.033 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC2CS(=O)(=O)C2)cc1 1527665064 FEIYCQPMWIYYJY-LVZFUZTISA-N 427.548 1.653 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539218616 BNBGTVUARZNPGH-SFHVURJKSA-N 435.594 1.552 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1539350570 QHUNOXNBXDAQPR-UHFFFAOYSA-N 427.534 1.437 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN(C(C)=O)C1 1539421001 MWQPJPDTSHHIOD-FQEVSTJZSA-N 427.553 1.484 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CCC)CC2)CC1 1539446750 IFBAOTWWIMQGDK-FQEVSTJZSA-N 448.637 1.057 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1540006728 WAKPYMMXTOPRKB-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1540170263 MACBLJJVFBDDCF-MOPGFXCFSA-N 437.610 1.860 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1540871512 NFOPGWLTCKMVIX-MRXNPFEDSA-N 437.552 1.546 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540901083 RXTRDQYHSLUNJT-INIZCTEOSA-N 432.550 1.436 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)OC 1540902225 DDRPDUGXXLLZHR-UHFFFAOYSA-N 443.570 1.991 30 10 IDEE CC(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541518972 FYIHYWKSNNILCZ-AWEZNQCLSA-N 430.534 1.761 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)c1cc[nH]n1 1542487039 ALNLOSZHJPXCHM-LJQANCHMSA-N 427.505 1.955 30 10 IDEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCS(C)(=O)=O)n1 1542618657 JWSQIEWMCZDVNW-UHFFFAOYSA-N 439.501 1.228 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnccc1OC 1554393641 AXZHLMVMDCUHRK-INIZCTEOSA-N 449.515 1.999 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1555500310 WBNZEEHITHYFNC-NQIIRXRSSA-N 440.548 1.922 30 10 IDEE COCCOc1ncccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1555688089 SQVQCKOVSZORCQ-ZWKOTPCHSA-N 428.493 1.369 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1584957200 HHPIPJBFFGFEOD-IBGZPJMESA-N 442.541 1.810 30 10 IDEE COc1cc2cc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)[nH]c2c(OC)c1OC 1587067961 DJDZUYUFULGYQK-UHFFFAOYSA-N 426.433 1.877 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1587765344 FGNUTJSICAWEAM-PXNSSMCTSA-N 439.582 1.420 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1587879549 VTEZABRIWPUJHZ-KRWDZBQOSA-N 446.552 1.544 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1588045752 QCQFOTDGCKWTRH-KRWDZBQOSA-N 431.562 1.727 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589042620 IGBOGJWHWRUAKU-OAQYLSRUSA-N 441.561 1.465 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1589234783 XQYIFLYEYWPXGK-YADHBBJMSA-N 444.557 1.441 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1593884042 AXQDDMQHRMIUKF-WMLDXEAASA-N 428.946 1.494 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1595127365 NHLBNOIJBJMNHZ-OAHLLOKOSA-N 436.438 1.942 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CN(C)C2=O)C1 1595673505 HUHJUMLZWIAXIJ-YCRPNKLZSA-N 425.493 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1595812088 MUVVQXVEJBGUIE-MRXNPFEDSA-N 449.552 1.701 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cccc(C(=O)OCC)c3[nH]2)c1 1606608852 OUBNBZFZXIJFQH-UHFFFAOYSA-N 426.454 1.903 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1Cc1ccc(C#N)o1 1613545102 AXVASMVSPRPBJI-GUYCJALGSA-N 425.493 1.424 30 10 IDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1614577195 MHYJNAZYEHRAMT-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1616910542 FTVIHYWINWBZAK-KSFYIVLOSA-N 444.511 1.692 30 10 IDEE COc1cc(N2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)cc(OC)c1OC 1617947726 RDRKFWJNOVODNU-HNNXBMFYSA-N 444.484 1.930 30 10 IDEE N#C[C@]12CN(Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]1CS(=O)(=O)C2 1620635065 BMPGRHZZTQJVKZ-SUMWQHHRSA-N 437.319 1.793 30 10 IDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H](O)CN(C)C(=O)OC(C)(C)C 1621715478 RUHLOEBWUJNFDP-ARFHVFGLSA-N 440.541 1.822 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(N2CCCNC2=O)CC1 1621945837 AGYAWOVTVWVBIM-UHFFFAOYSA-N 427.324 1.889 30 10 IDEE N#Cc1c(F)cc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1F 1624250311 ACMHIVIKYPMWAG-UHFFFAOYSA-N 435.408 1.411 30 10 IDEE CN1C(=O)CC[C@@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1627041366 QUQLFFWMRJTNDP-SJLPKXTDSA-N 426.473 1.656 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1628786439 FBWHQXVQADXPCF-UHFFFAOYSA-N 439.541 1.775 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2oc(CNC(=O)OC(C)(C)C)cc2C)CC1 1632623848 JJOXSPXUUIXXFI-UHFFFAOYSA-N 432.521 1.510 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1636512585 LNZMNIJJPUWTRX-RRUGBERISA-N 442.324 1.743 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CC)c1ccc(N2CCOCC2)cc1)c1cc[nH]n1 1641566571 FFGWZHUVGTWXLI-UHFFFAOYSA-N 429.477 1.583 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)[C@@H](O)c1ccc(C#N)cc1)C2 1645432190 CKWYLTIOZBNQOC-SCYDXJQRSA-N 443.500 1.897 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028770 NCNAFXYNQBXFRP-JKSUJKDBSA-N 431.493 1.677 30 10 IDEE CCOC(=O)[C@H](NS(=O)(=O)N(C)CCC#N)c1c(C)nn(Cc2ccccc2)c1C 1663256169 DJFCFKALVNNTPY-LJQANCHMSA-N 433.534 1.832 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1666230130 ZAPFDYBSHOBCPW-UHFFFAOYSA-N 428.576 1.953 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 1670200879 UKWDSVVOFYTMIV-UHFFFAOYSA-N 441.449 1.946 30 10 IDEE C#CCN(C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1)C1CCN(C)CC1 1676960277 UUDVGAVJZPKOQU-UHFFFAOYSA-N 441.576 1.586 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1684150855 NZUHLCPSVSJMNR-MJGOQNOKSA-N 435.532 1.851 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1685773593 ZUEGJIPXOIUUPJ-UHFFFAOYSA-N 433.361 1.574 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689998544 OZTVFYTWGYAPLS-HZPDHXFCSA-N 434.522 1.081 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCCC2(C)C)CC1 1690134807 GUCLCTJYFFFDKQ-SFYKDHMMSA-N 431.581 1.699 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690139422 LRGJSCVTLBVRBU-SFHVURJKSA-N 438.532 1.727 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1690622341 NFQJGGNNZKMNRA-OXQOHEQNSA-N 426.583 1.760 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690672337 OYPAADXFEXXFLY-HNNXBMFYSA-N 430.557 1.744 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1690694951 YGAXKSOKOXFDLY-IRXDYDNUSA-N 434.566 1.346 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)C1 1690699540 GKHAGFFPIXDDNO-RBUKOAKNSA-N 432.546 1.502 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)C1 1690700789 XXBWGUAHBJCXTA-IAGOWNOFSA-N 425.599 1.549 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1CC(C)(C)O 1693745928 HLBNETRIYXFWHZ-MRXNPFEDSA-N 433.520 1.412 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(COC)CCOCC2)CCOC1 1696052282 FQDVDZCFXPNCMI-SFTDATJTSA-N 437.516 1.815 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 1705534765 QYTHWUJVXLQZOE-JKSUJKDBSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705565468 IKNMFPBCYCNFSC-IPMKNSEASA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1705568203 JFRZOGYRLPDNQQ-GOSISDBHSA-N 434.566 1.193 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1705570249 MFUGPMKASHOAJY-BBTUJRGHSA-N 436.578 1.441 30 10 IDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705656759 IEXAJHBGJMDNFT-KRWDZBQOSA-N 436.545 1.843 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1705709009 JXIUVBMUKFLLHW-KKSFZXQISA-N 427.505 1.783 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705818870 YBCQIRIQILDGKO-MSOLQXFVSA-N 429.569 1.328 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1705894677 HEOQIHBOGHDXRO-UHFFFAOYSA-N 441.536 1.410 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)C1 1705917091 UJWJDNHABBMXSF-CRAIPNDOSA-N 435.550 1.210 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]2CCC[C@@H]21 1705930174 HMMPXPRPCCQZLP-XHSDSOJGSA-N 445.611 1.258 30 10 IDEE CC(C)Cc1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1\N=CC=CC1=O 1706403337 CXGLDQMCZJNKNJ-FMQUCBEESA-N 441.536 1.110 30 10 IDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)OC 1708808372 HARCVECWCMVJQN-SFHVURJKSA-N 442.520 1.449 30 10 IDEE CN(C)C(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1710981763 FVMSONQIJMYGGI-UHFFFAOYSA-N 448.531 1.800 30 10 IDEE CNC(=O)c1cccc(CCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1711331109 UNMLHOWQSZRIPT-UHFFFAOYSA-N 430.516 1.782 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712249033 XNOQBQCZXUNWSQ-XOMICKMZSA-N 437.504 1.729 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1722320603 DFGJZPOACLTQCC-QGZVFWFLSA-N 428.562 1.594 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1722367500 WJFPYRJCTPBOHY-HXUWFJFHSA-N 442.589 1.893 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H](C)C1 1722381933 BQGIQZFMSMETSV-VQTJNVASSA-N 431.606 1.765 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1722388396 WGKFTSKOHUTQJX-CALCHBBNSA-N 428.537 1.600 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1722500642 CNFLBKXTIURAPC-BPXKWBHBSA-N 430.553 1.344 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)CC2)cc1 1722704784 ORKRISLHUFQEOW-UHFFFAOYSA-N 438.532 1.682 30 10 IDEE CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1723431316 LIIOQEGVSAYOGU-ZZEZOPTASA-N 443.552 1.911 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740532083 XRCGEMJZDUPWBV-YESZJQIVSA-N 436.582 1.078 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1740703856 CECAIHXBMZNNIF-ZWKOTPCHSA-N 439.564 1.850 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)c2cc[nH]n2)CC1 1740827698 HHYQKMUQBQXCJB-UHFFFAOYSA-N 440.533 1.579 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1740906427 OEZDWSIXAAVISV-INIZCTEOSA-N 440.614 1.278 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1740964762 UKOQTDCHJAAOKT-MRXNPFEDSA-N 436.557 1.858 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(C3CC3)C2)C1 1740972470 JAKZPVAFPLZTTK-LZLYRXPVSA-N 438.598 1.154 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1741076414 HUFGUICPXYQYQB-MJGOQNOKSA-N 442.545 1.356 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1741714241 PYSIGFDVFWHTIS-JTDSTZFVSA-N 425.555 1.492 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1748684940 REHUOTUENYPTPI-SZNDQCEHSA-N 426.546 1.738 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(c2ccccc2F)C1 1748790268 HUVFLOKJCXLIQN-DLBZAZTESA-N 431.537 1.915 30 10 IDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCCn1cc(CO)nn1 1748830523 XXXMFTJYUPCEGG-UHFFFAOYSA-N 429.528 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1748863960 LWKBBQYDNLAIHV-ROUUACIJSA-N 434.610 1.472 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCOCC1 1749467514 RKYZREXQPJURAE-UHFFFAOYSA-N 437.342 1.950 30 10 IDEE C=CCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749643652 YYPZAJUDKUNHAY-QFIPXVFZSA-N 433.553 1.580 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(=O)NCC)CC1 1749660499 RHJGWFFAMOIROO-UHFFFAOYSA-N 448.531 1.647 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)c1 1750191915 HKEASYKFRUPOMK-MRXNPFEDSA-N 428.518 1.367 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCCN2CCC[C@@H]2CO)CCO1 1750389048 VTMCXXQJWJHUBR-WOJBJXKFSA-N 442.539 1.974 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760137877 YSWATUNEWFUDPO-NVXWUHKLSA-N 426.525 1.607 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)N1CCOCC1 1760140834 AWQWCSGLXFBTOH-UHFFFAOYSA-N 444.561 1.368 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1760195216 YZLUVYVLTHYABD-INIZCTEOSA-N 443.529 1.055 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1760232313 ADJSEKZCLJPMIX-QHCPKHFHSA-N 436.516 1.847 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccn2)CCC1 1760249093 HOVQPSLWSNGQDC-SFHVURJKSA-N 443.573 1.783 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)CC1 1760261948 SWXNWRCDLDERTC-OAHLLOKOSA-N 435.500 1.262 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([S@@](C)=O)CC2)CC1 1760264082 AUTDZSMPMZENJT-SSEXGKCCSA-N 427.574 1.832 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)c2ccccc2)CC1 1760269439 ILSVEZQNWMTTDO-FQEVSTJZSA-N 436.560 1.884 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1760279168 TUEXTWBRLXXZGY-GOSISDBHSA-N 442.593 1.627 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1760280053 CKMAGYZYKZTOQP-FQEVSTJZSA-N 443.573 1.925 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1760322215 PNBGCNHXBNQNSW-BDXSIMOUSA-N 439.582 1.581 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760359058 BHVXMXPDGMIYCT-IBGZPJMESA-N 440.504 1.273 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1760440302 HALCYFIZHAWREQ-DLBZAZTESA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(CC)C(=O)C1 1760523418 XNKWUNLUJQHHHC-UHFFFAOYSA-N 448.531 1.492 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncn(C)n1 1766081264 DEKHUUMCDQVSNS-FQEVSTJZSA-N 426.456 1.875 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1767278222 CXULUTGFXCPSID-ZHRRBRCNSA-N 440.504 1.635 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1769415026 BDBCOIRSGORUIZ-GOSISDBHSA-N 426.546 1.865 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)C1 1771251615 UARBGZCYKYZQQB-RXVVDRJESA-N 440.548 1.779 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 1771534061 LVZCBUMUNGSNOJ-INIZCTEOSA-N 445.474 1.709 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2COCCO2)CCO1 1771535956 DRONDLHNCWYROU-KBPBESRZSA-N 437.298 1.570 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1771536888 DLSHCYUDXHPORJ-PMACEKPBSA-N 428.512 1.584 30 10 IDEE N#Cc1cccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1F 1852444677 VWXBAXVCCIUORM-UHFFFAOYSA-N 435.452 2.000 30 10 IDEE COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCO[C@@H](C#N)C3)Oc3ccccc32)cc1 1852444713 WZJOHRKTKONPAQ-JXFKEZNVSA-N 443.481 1.402 30 10 IDEE COc1ccc(C(N)=NOCCC(=O)N2CCC[C@@H]2C(=O)N2CCN(C(C)C)CC2)cc1 1853552546 MAKDIYBIESNSSB-HXUWFJFHSA-N 445.564 1.266 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccccc2Cl)C(=O)C12CCCCC2 1854488184 RSKVBELOEVOQJY-UHFFFAOYSA-N 439.921 1.946 30 10 IDEE CS(=O)(=O)c1ccc(-c2nn(-c3cccc(C(=O)O)c3)cc2/C=N\NC(N)=S)cc1 1857806544 DESDLDAEAIDIPM-FBHDLOMBSA-N 443.510 1.808 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc3c(c2)C(=O)N([C@H](C)C(=O)O)C3=O)cc1 1867484424 JMSLGAYMOHRZTQ-ACJLOTCBSA-N 448.435 1.175 30 10 IDEE COC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O 1870100400 CYYBNMIGHYWNDW-UHFFFAOYSA-N 443.423 1.333 30 10 IDEE CC(C)c1cc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ncn1 1890123194 KOJFNOJCWUBHIW-UHFFFAOYSA-N 429.565 1.237 30 10 IDEE C[C@H](C#CC(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902013587 IFZXWMGFNDEUHG-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)O 1914796096 XTOPOBDEKKNHRX-VXKWHMMOSA-N 435.528 1.991 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 2060399417 BXYFBWLPXKPRBS-AWEZNQCLSA-N 447.454 1.277 30 10 IDEE CN1C[C@H](C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)N(C(=O)OC(C)(C)C)CC1=O 2124533683 QHBAZTQTMWQDHU-MRXNPFEDSA-N 449.357 1.854 30 10 IDEE C=CCn1ncc(NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162290374 XBWLBTWSAFPCLO-UHFFFAOYSA-N 442.314 1.326 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](O)C1 2197488292 KJJIRTITKWTYDW-KBXCAEBGSA-N 440.294 1.992 30 10 IDEE C=C(Br)CS(=O)(=O)NCCOCCOCCNC(=O)OC(C)(C)C 2213462485 JPWYHYIFZJZVGY-UHFFFAOYSA-N 431.349 1.372 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)OC(C)(C)C)C1 2247540205 VJQHZVDQTNSKFC-YZEMWESSSA-N 437.537 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(C)(C)F 2248401692 MMUNUFKNFRMMFE-JTQLQIEISA-N 444.338 1.839 30 10 IDEE C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255533995 ASXCXVUDRXBTDI-CMPLNLGQSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626350 FOZXQYZYSXBVBN-YEJXKQKISA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255651363 IOSOACSXONZNPG-HNNXBMFYSA-N 432.330 1.905 30 10 IDEE Cn1cc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255827474 XHMPAUOBCJCIFQ-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@](C)(NC(=O)OC(C)(C)C)C2)n1 2255842506 SLBANIFBJMJQHE-HXUWFJFHSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255844012 PDOBJHHOKJWGOS-KGLIPLIRSA-N 432.330 1.666 30 10 IDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256670689 IANMGAIGHBDBRJ-UHFFFAOYSA-N 434.346 1.776 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267477659 OKBJTCAEYSFZEP-GJZGRUSLSA-N 447.341 1.481 30 10 IDEE CCc1nn(C)c(C(=O)N(OCc2ccccc2)C2CNC2)c1B1OC(C)(C)C(C)(C)O1 2267508871 LSTKMKXAZCJYGK-UHFFFAOYSA-N 440.353 1.828 30 10 IDEE C=C1CC(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)(C(F)(F)F)C1 2342707089 SKSLUDQAOSFMDA-ZDUSSCGKSA-N 436.408 1.937 30 10 IDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1O 21319069 ZJJUQJFXRZTFOC-NGYBGAFCSA-N 434.507 1.648 30 10 IDEE CCOc1cccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72443910 XNGMGHIFJILEBZ-HZPDHXFCSA-N 436.472 1.094 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCN(C)S(=O)(=O)c3ccc(F)cc3)cc2C1=O 437510200 YQXCZFYQCSNPQO-UHFFFAOYSA-N 445.472 1.658 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1ccccc1OC 441222121 AWBWZOXAOMFXKW-JECYIRHJSA-N 443.500 1.755 30 10 IDEE COc1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)ccc1S(=O)(=O)N1CCCC1 443335750 SZOIRDJNSUXNCO-UHFFFAOYSA-N 448.545 1.864 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1C[C@H]1CCCO1 461159069 LQNFFDPSBOBRLS-FUHWJXTLSA-N 431.504 1.896 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN([C@H](C(=O)O)c4ccccc4)C3=O)cc2C1=O 473706414 PCZGEDWXXUZFEA-MOPGFXCFSA-N 447.447 1.625 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2c(F)cccc2CC)c1=O 478741476 BSEQRKMUXUFXRI-UHFFFAOYSA-N 443.544 1.843 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O 482143867 PFKCZFJTZGJVFL-KXBFYZLASA-N 426.498 1.489 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1C#N 489284556 BYIKTSLUKIYUHA-GOSISDBHSA-N 427.530 1.438 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 501184280 XZTMEMPHXRVCOQ-MSOLQXFVSA-N 433.534 1.119 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 503624890 LMGNYUUMKSNLHD-UHFFFAOYSA-N 425.258 1.293 30 10 IDEE CC[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 512633086 KGCOUWMGSLXCRT-GOSISDBHSA-N 428.518 1.584 30 10 IDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 512696238 ZQYOJKCPWLUCBE-GOSISDBHSA-N 426.587 1.823 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 555252108 HQVULLFBBNNBSU-QZTJIDSGSA-N 434.566 1.475 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c(F)c1 586860043 QFIPKEYNZSOPDQ-UHFFFAOYSA-N 429.496 1.936 30 10 IDEE O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 727369483 GEYDFRQKXMEERF-HNNXBMFYSA-N 430.511 1.265 30 10 IDEE Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706180 HWTCDOHKSJXBLJ-SFHVURJKSA-N 441.557 1.321 30 10 IDEE CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741342746 IRAQSXHCXQLSKJ-VHEBQXMUSA-N 426.429 1.210 30 10 IDEE COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)cc1C#N 746872146 HLRUWROEFXALMU-QHCPKHFHSA-N 436.468 1.967 30 10 IDEE COc1ccc(Cn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 748065089 HRUZWRAUHSKCML-UHFFFAOYSA-N 434.521 1.572 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 748065291 LCAPBMKLBUEGKK-MRXNPFEDSA-N 426.542 1.311 30 10 IDEE COC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1Br 756094132 DSNWGRWZBWECHO-GFCCVEGCSA-N 435.278 1.373 30 10 IDEE C[C@H](CC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 763764230 AIGSPWSNXJKBRI-HLLBOEOZSA-N 447.513 1.448 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCC2CCS(=O)(=O)CC2)c1 768416923 JRHBQICXDHEZIS-SFHVURJKSA-N 447.582 1.950 30 10 IDEE Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n[nH]1 768746172 JUADMUNMXOAPEJ-PSNMVERHSA-N 446.533 1.217 30 10 IDEE COC(=O)c1ccc([C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C(F)(F)F)cc1 776021211 YKUMDUFEJDUPOO-IDTYTIONSA-N 440.378 1.902 30 10 IDEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(Cc2ccon2)c1=O 781659851 DYNHZDJFMOBDHW-UHFFFAOYSA-N 443.282 1.744 30 10 IDEE C[C@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCC1 787656216 VZFTWHFSWZAVFP-KBPBESRZSA-N 425.532 1.785 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(C(=O)c3cccs3)CC2)n1 789320859 JBDIFURGNFRGHV-UHFFFAOYSA-N 429.546 1.011 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 792074307 KCQCREAZQVFSEX-IBGZPJMESA-N 439.516 1.778 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(O)(c2scnc2Br)CC1 797438415 QYWSCSYTDQCVJC-UHFFFAOYSA-N 443.348 1.913 30 10 IDEE O=C(OCc1nnn(CC(F)(F)F)n1)c1c(C(F)(F)F)nn(CCO)c1C(F)F 799500133 SRNCMDVWFVKAOV-UHFFFAOYSA-N 438.235 1.738 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 809919168 VDUMUHQADZSSGZ-ZDUSSCGKSA-N 432.344 1.286 30 10 IDEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812310439 XLJLLPQBETZFGM-GGPKGHCWSA-N 442.541 1.760 30 10 IDEE CO[C@H]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 815386568 NSVGRSXWNJYWIN-MSOLQXFVSA-N 449.529 1.140 30 10 IDEE CCc1noc(C[C@]2(O)CCCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)n1 856703499 JSLAMEBSJRTKHW-OAQYLSRUSA-N 446.529 1.919 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 915143031 NRHXHYNQUBWYLV-UHFFFAOYSA-N 447.586 1.375 30 10 IDEE CC(C)[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)c2ccccc2C1=O 916775778 PQOFWWZYXCFJGY-GOSISDBHSA-N 425.466 1.825 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCS2(=O)=O 1134650659 QADRDZABGNQFQS-YFXGLOOTSA-N 442.534 1.263 30 10 IDEE CS(=O)(=O)c1ccc(NCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1135853743 GONMXQPHBUFEHT-UHFFFAOYSA-N 429.502 1.588 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H]1C 1137886355 NHDXADSHABINDX-ZRSCRABMSA-N 448.564 1.869 30 10 IDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1147283733 QPYGGNREMGIJSP-UHFFFAOYSA-N 427.526 1.652 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@@H]1CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1160017615 SFVPBKWKXKHJPK-ZHRRBRCNSA-N 445.520 1.754 30 10 IDEE C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1162140673 DFASVPUCYYCVGP-CABCVRRESA-N 435.546 1.942 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](CN4CCCC4=O)C3)CC2)cc1 1167345157 FTJXVXUHLPXGMF-GOSISDBHSA-N 444.557 1.430 30 10 IDEE N#CCc1ccc(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1252308697 UWKGTMNWWFVXCU-UHFFFAOYSA-N 433.456 1.413 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1286290122 PJQPODONPVRGOR-INIZCTEOSA-N 436.516 1.674 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1286443119 ZCOVYTRFBSNUDK-KRWDZBQOSA-N 433.516 1.566 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286538031 LITDNMSCHSJDBO-AEGPPILISA-N 439.358 1.295 30 10 IDEE C=CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1286777618 IZMHCRVVWDKDOQ-CHWSQXEVSA-N 429.453 1.317 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286786824 JDUSLUVSUPQTPZ-HNNXBMFYSA-N 430.513 1.084 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCO[C@@H](C)C1 1286822423 JTXLDHZHJARGGE-KRWDZBQOSA-N 444.561 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286823577 WJKCEWVHOSOEAB-INIZCTEOSA-N 430.596 1.235 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1288524578 FTILJJFXWYRFQJ-OAHLLOKOSA-N 435.525 1.686 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1290562670 YIZGLWCNSHIDNN-UHFFFAOYSA-N 428.470 1.317 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1291294195 GHZMVMCCSPPECD-APWZRJJASA-N 443.577 1.381 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1300395704 BWLUUMXMHFJGCV-CLWVCHIJSA-N 442.434 1.776 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300481848 BYVLAKPLGBBFFD-LAUBAEHRSA-N 436.578 1.747 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1300553527 JZVJOYGFRCCTQY-MFEFFIJZSA-N 440.548 1.600 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1300654746 FTSWOYDERSWVOA-UHFFFAOYSA-N 438.941 1.115 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2)CC1 1300695563 DJZCJDBATVRFDT-UHFFFAOYSA-N 433.516 1.750 30 10 IDEE C=C(C)Cn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300965691 VZFUWDZDMLVPME-HXUWFJFHSA-N 441.598 1.757 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1300989383 APMHQTYCJPJKIK-KRWDZBQOSA-N 439.538 1.433 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1OC 1301501394 WARCZWXGKYEBPE-MRXNPFEDSA-N 433.534 1.127 30 10 IDEE COCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301581202 UJLDQHSGFZBMIO-GOSISDBHSA-N 428.541 1.796 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1301586789 JKZMFBJZMBRHDK-QGZVFWFLSA-N 431.518 1.207 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOC[C@H]2CCCO2)cc1 1302994351 LQJHRYVNEASDOO-LJQANCHMSA-N 440.504 1.251 30 10 IDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1309403617 WTAULNRGHRSMJO-RTBURBONSA-N 443.587 1.803 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1314484277 UECREWMJMBNCSP-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315818507 ZXRJUDAZBZGRID-LSDHHAIUSA-N 425.472 1.634 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@@H](C)O1 1315929128 BPMPFGJNACSADO-VQIMIIECSA-N 426.521 1.972 30 10 IDEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1316535796 ASYWPCQXHVIQFS-UHFFFAOYSA-N 444.561 1.334 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN(C)CC(F)(F)F 1358970680 UZICSHCSWJQIGI-LJQANCHMSA-N 427.471 1.886 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1358978350 KJLXKVATVMENOB-IERDGZPVSA-N 444.582 1.803 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1CCOCC1 1358980656 FFMVFVNUKIBVKR-UHFFFAOYSA-N 431.544 1.700 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1358994906 YVAPHUPTNTXDIL-GOSISDBHSA-N 442.541 1.731 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)C(C)C)CC1 1359032907 IHJWLUOSBPJUIW-HSZRJFAPSA-N 425.533 1.879 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@@H]21 1359227573 FKOKYGNIPWBNGJ-SQNIBIBYSA-N 439.582 1.583 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1)C1CC1 1359251568 ORFWVPKDMIFUIC-FUHWJXTLSA-N 438.598 1.108 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1360263074 NDDWGINDLQGALF-JOCHJYFZSA-N 437.504 1.762 30 10 IDEE Cc1ccc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1360373883 HCHRWTKWWLEAEO-UHFFFAOYSA-N 440.481 1.344 30 10 IDEE C#CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCOCC1 1439370401 LGUWNNPHYRANBM-MRXNPFEDSA-N 432.498 1.312 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(I)cc2F)CC1 1443351352 BBTWUQWHVAJCFB-UHFFFAOYSA-N 443.260 1.328 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)OCC 1454716943 YTBPUPBEKWEOJE-NVXWUHKLSA-N 444.937 1.948 30 10 IDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1472283522 TXKNCFSREWJAMS-OWSCLCTJSA-N 445.520 1.718 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1472553094 WIKMZQAFDTXSOI-RISCZKNCSA-N 438.424 1.233 30 10 IDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1497422129 BTRRSVXOKPBYPA-UHFFFAOYSA-N 446.577 1.840 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1502637885 AOFDTXATBMTDND-PKTZIBPZSA-N 438.532 1.917 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccc2OC)CCOC1 1502727698 BVNXWWLRHPKGAV-XMSQKQJNSA-N 427.505 1.910 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1503160472 WJMFRBLKSYVYPX-SJTPKYKMSA-N 430.509 1.171 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507636606 BHOSUUGFVKPFRA-QZTJIDSGSA-N 436.578 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)C(C)C)CC1 1507733234 QKOHKAUXJAHLMK-SFHVURJKSA-N 430.553 1.151 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)CC)CC1 1507733521 BKMGFMSFIOOBGI-JOCHJYFZSA-N 432.569 1.323 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1507750693 BZJWITXQAVHFRX-IRXDYDNUSA-N 438.619 1.678 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507967339 JLRFHDVHDHJFDD-MOPGFXCFSA-N 432.569 1.957 30 10 IDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508062443 AYBNJFKTGZSESD-UHFFFAOYSA-N 426.521 1.660 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nncn2C)C1 1508115743 GNUMEVBNEZIRMG-INIZCTEOSA-N 443.533 1.307 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1508139000 BQCXHOMORHORPK-CVEARBPZSA-N 447.565 1.077 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1510368646 DVJMDMDJNLXEJR-SJORKVTESA-N 428.493 1.622 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1512700837 OEFRZWKWWOKUIG-LEWJJULVSA-N 441.532 1.974 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1516173283 UEVUTXZTQLYIDQ-ZHRRBRCNSA-N 430.553 1.975 30 10 IDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539063072 KNTKDOPWOPDSHU-UHFFFAOYSA-N 439.564 1.068 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN(CC(=O)NCCOC)CC2)s1 1539211489 SGIUHELMWHESCP-UHFFFAOYSA-N 447.026 1.745 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)C(=O)C1 1539615523 JQCBFAMMYKWKBT-OXJNMPFZSA-N 444.580 1.989 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1540073423 QBRPVKRDIKAHJF-INIZCTEOSA-N 425.599 1.692 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1540200961 LZMKZKIBMVEAQC-IBGZPJMESA-N 428.537 1.701 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CCO1 1555385523 GAOFLDLEWVOHJT-PXNSSMCTSA-N 426.521 1.389 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1556660314 LDGFMKXGNMGOOS-MISYRCLQSA-N 432.542 1.425 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc23)CC1 1558073009 IGZQBGMCAJJVAP-UHFFFAOYSA-N 429.527 1.517 30 10 IDEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)N1CC(F)(F)F 1558696493 JSANYKJJKONVMJ-HZSPNIEDSA-N 432.468 1.709 30 10 IDEE CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585660655 TTZGMZDXJYGOBE-HRAATJIYSA-N 428.514 1.917 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(O)CCO[C@H]2C)c1 1587697065 JASMZZOZTQYHDB-AOMKIAJQSA-N 427.505 1.411 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1587974982 IKFSNDZMVVAVNK-UHFFFAOYSA-N 442.545 1.740 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1588024308 AEPGPSIPOBFRAD-BEFAXECRSA-N 439.607 1.329 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc([C@H](C)OC)n2)CC1 1588806311 MNTQYCDRPNRCQY-GOEBONIOSA-N 429.550 1.197 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588877239 XXXYLSGNUPRKHC-IPMKNSEASA-N 449.621 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588899181 MCPJFLBTPZITFG-OPAMFIHVSA-N 427.505 1.352 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC 1589198667 ZINDJMNEYYISBL-PRAQEBQASA-N 448.618 1.999 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1593696476 QZPJKSOMXVQOHP-UHFFFAOYSA-N 427.509 1.623 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1593747408 VTLIDJIRDYTWQD-CVEARBPZSA-N 435.554 1.243 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594236979 LDQLRJDANCLKHC-MRXNPFEDSA-N 436.538 1.292 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1595267512 XUNSGKRRHPCAQN-UHFFFAOYSA-N 447.561 1.605 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1595766339 PHONGCNNBZXQJZ-UHFFFAOYSA-N 426.489 1.954 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](CC#N)C(F)(F)F 1596783758 RALKAQCYLZVGBQ-JSGCOSHPSA-N 435.424 1.189 30 10 IDEE N#C[C@]12CN(C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1598567216 GYQATBGROFISDY-OXJNMPFZSA-N 445.522 1.498 30 10 IDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1611803772 DFYCIXUGLGRSOF-HNAYVOBHSA-N 440.545 1.633 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1615775372 JNKUARHBQXKXHD-RLISPUPPSA-N 443.552 1.575 30 10 IDEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NC(=O)N3CCOCC3)n2)c1 1616132264 LRIHDQKTFJAFSC-YSTOQKLRSA-N 436.472 1.004 30 10 IDEE CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617088999 BXEZRKMHIBNZQH-UHFFFAOYSA-N 425.493 1.476 30 10 IDEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@@H]1O 1620537867 GRJOWRWLVAZQJJ-UZLBHIALSA-N 446.548 1.412 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@H]2CCO)n(-c2ccccc2)c1C 1620598456 BBJKOCUHFDHBSX-GOSISDBHSA-N 430.530 1.386 30 10 IDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1626722417 VPFLCNLZETZALQ-ZDUSSCGKSA-N 439.863 1.921 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)CC1 1627014772 DLRCBABYWMJVDI-UHFFFAOYSA-N 436.556 1.812 30 10 IDEE COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)cc1 1627154106 INDDPMMKTVGDEH-SJLPKXTDSA-N 442.541 1.876 30 10 IDEE C#C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(Br)cc1 1628543797 ZLGKYAAZZXOXST-ABAIWWIYSA-N 425.308 1.340 30 10 IDEE CCN1C(=O)[C@H]2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CCN2C1=O 1630758379 QHCVBQHCYVDRLZ-XNROWMOSSA-N 445.520 1.268 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 1633411416 UYHAMHMTJKJJMW-UHFFFAOYSA-N 425.561 1.491 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C[C@H]3CCOC3)CC2)s1 1633977101 SDDNNGAFGSDCGM-OAHLLOKOSA-N 427.592 1.372 30 10 IDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccc(Br)cc1 1636512794 RIYJQTQYZYGBTF-SCLBCKFNSA-N 449.330 1.954 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)cc1OC 1640375244 RELLPVSXAUTDLN-VMSUTVGLSA-N 425.489 1.672 30 10 IDEE CC(C)(C[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1)C(N)=O 1641018141 JCSOPAVGWVAOMO-SJLPKXTDSA-N 439.516 1.903 30 10 IDEE N#Cc1cccc([C@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C(F)(F)F)c1 1643304175 DVZXRGHFQMMDHE-MJGOQNOKSA-N 438.450 1.991 30 10 IDEE C#CCC1(O)CCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 1644429288 SQLTXFQGHPEGTC-UHFFFAOYSA-N 437.241 1.257 30 10 IDEE N#C[C@]12CN(C(=O)COc3ccc(C=O)cc3Br)C[C@H]1CS(=O)(=O)C2 1648155931 SBSDNTRNFRLLQA-BLLLJJGKSA-N 427.276 1.037 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCS(=O)(=O)C[C@H]2C2CC2)CC1 1660356825 AVGJVAKCJGUCBS-SFTDATJTSA-N 448.564 1.434 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@](C)(CO)c2cccc(Br)c2)CC1 1660530790 JSWDYONXCDRFCS-QUCCMNQESA-N 437.382 1.939 30 10 IDEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)N(C)C[C@@H](C)C#N)cc1Br 1663387769 ABIVVFCUUMXOCF-GXTWGEPZSA-N 434.356 1.535 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)C2 1675444188 LOJYOVVYQHUEBQ-IBGZPJMESA-N 428.489 1.881 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Br)cc2Cl)CC1 1677645443 QNXZXBHHVVWITF-UHFFFAOYSA-N 449.758 1.397 30 10 IDEE CN(C)c1ccnc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1687617978 AFPJAENROQEHFA-UHFFFAOYSA-N 428.518 1.235 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1689980798 XSOIXGYDGUKLHY-FUHIMQAGSA-N 439.651 1.856 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689987944 GEAIGEVZXSWZEC-RTBURBONSA-N 448.593 1.757 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1690000347 ZIUOGJLRBJBMSE-AWEZNQCLSA-N 435.550 1.870 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1690006040 HSDRCQKDTZPDAR-FQEVSTJZSA-N 428.334 1.847 30 10 IDEE C=CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690459175 OSFQMXXAPCOHBD-UHFFFAOYSA-N 427.553 1.813 30 10 IDEE CC(C)NC(=O)c1nnc(N(CC2CC2)C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692506472 RNGSYHVSOCMJGQ-CZIZESTLSA-N 441.536 1.712 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1692741068 ICANPXIBSQZOOG-ARGWCVDVSA-N 435.504 1.832 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1696913566 GSAWAFMPGZSQIG-QRQCRPRQSA-N 439.520 1.025 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1 1705572203 UIPKWAXYQXJHGH-UHFFFAOYSA-N 434.500 1.026 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCN(C3CC3)CC2)CC1 1705635291 VTHSZOSFRZHFNY-LJQANCHMSA-N 430.597 1.632 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705661767 IRXPXLMUVXVXQN-HNNXBMFYSA-N 427.596 1.009 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705665222 NJYZOKUQDBLEHK-UGKGYDQZSA-N 444.605 1.862 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705792521 VFXCXWJZMCLYHT-IAGOWNOFSA-N 435.594 1.984 30 10 IDEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705832121 NOZGJNCDFXAQJP-QGZVFWFLSA-N 430.484 1.803 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)[C@@H](C)C1 1705895534 JZFLIFLYYKVCKM-GJZGRUSLSA-N 445.593 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1705899735 FKGSYRDJKKPKBV-UHFFFAOYSA-N 441.565 1.706 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705910827 OEMVUULBHZYGJN-SJLPKXTDSA-N 438.532 1.744 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCN(C(C)=O)CC2)C1 1705920197 SMGPUAXCFTZTNP-IBGZPJMESA-N 428.537 1.792 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC)[C@H](C)C1 1705930381 LWXPRUVYGOJFRK-MRXNPFEDSA-N 447.565 1.057 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(O)CCOCC2)C1 1706932343 HKFTYXDIAHRYNQ-NRFANRHFSA-N 439.520 1.987 30 10 IDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)CC1 1706937631 OULCIHSTHRVUDR-OAHLLOKOSA-N 446.533 1.220 30 10 IDEE COCCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1712403260 DTZJYNHLWDQGBR-OALUTQOASA-N 440.504 1.422 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 1712454456 GXQVQPRRRJGNAQ-UHFFFAOYSA-N 435.554 1.402 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1712854385 QTQDEOIBUZLVJR-INIZCTEOSA-N 447.561 1.882 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722316076 AUKIBAKUSJRNDP-OALUTQOASA-N 435.594 1.142 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1722366253 HSCCFYVEHLVOSV-SFHVURJKSA-N 443.573 1.641 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@@H](C)C1 1722386909 AQAULFVCQVWHCS-ACRUOGEOSA-N 429.565 1.576 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1C[C@@H](C)O[C@H](C)C1 1722421594 MQOKSSUWKSUJHR-OAGGEKHMSA-N 427.571 1.178 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCC=C)CC1 1722430887 JXQQVXJOBWAARE-QGZVFWFLSA-N 426.496 1.615 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCN(CC)CC2)CC1 1722439382 ZVNVHJZERPGQBM-UHFFFAOYSA-N 449.647 1.960 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C2CC2)CC1 1722442345 YPJJDWTXFHSRCY-OAQYLSRUSA-N 428.562 1.186 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2ccncc2)CC1 1722449804 ZTZMUCBMALEALN-UHFFFAOYSA-N 429.528 1.867 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722538075 JKGGQTUOESGDJD-BZSNNMDCSA-N 434.541 1.151 30 10 IDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1722635524 YWVFIEILZBYUML-OGLOHFSISA-N 430.509 1.467 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccn(CC)c2=O)C1 1722708812 DMCHIKDHVUEANM-SFHVURJKSA-N 449.515 1.937 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)C1 1722709369 OQJRAGCKNFFHRC-INIZCTEOSA-N 425.493 1.233 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722728778 BAKVFLRZSYPCIW-ROUUACIJSA-N 432.594 1.784 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1722729162 XILAHLBDTAXMAV-IAGOWNOFSA-N 448.545 1.659 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722732294 JBQAKEBZNIKJDQ-HUUCEWRRSA-N 446.533 1.205 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1722862982 GDYDNHGMRCDYFY-ZACQAIPSSA-N 445.593 1.935 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1727008820 OQVHIEXWUFLJLM-YTQUADARSA-N 425.537 1.925 30 10 IDEE COC[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730456333 GJOVVYRQIIWAFB-QGZVFWFLSA-N 438.536 1.276 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccnc1OC 1740637113 QRRYXWJIYSKVCN-UHFFFAOYSA-N 449.540 1.763 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740638011 FYLDTISSJSSZQJ-UHFFFAOYSA-N 445.527 1.520 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1740668958 GMWHSZXABDLERG-GOSISDBHSA-N 449.559 1.855 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1740671574 KCPYNLWHOCEKSA-KRWDZBQOSA-N 433.603 1.760 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccnc(-n2cccn2)c1 1740686804 NINJSYPLPKBSAE-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)nc2OC)CC1 1740696239 OVZMRSSKEBBXSY-GOSISDBHSA-N 426.521 1.388 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN2CCC(C)CC2)C1 1740957064 AFRCULUQJLRTGJ-IBGZPJMESA-N 440.596 1.929 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(C)=O)CC1 1740963323 HREAGVZDWNSBDX-UHFFFAOYSA-N 426.521 1.445 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1741813264 SUJMDRILULDGQE-AEFFLSMTSA-N 448.531 1.888 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1748666998 LLLNLWJOKWDVPS-PZJWPPBQSA-N 435.576 1.505 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2Cc2ccc(C(N)=O)nc2)c1 1748691392 CWLQLIRMBHWZDZ-UHFFFAOYSA-N 431.500 2.000 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1748851253 APGIXSHXCZDRSO-LJQANCHMSA-N 430.512 1.526 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3F)n2Cc2cnnn2C)n1 1748970790 SKBOXRNLTWLOHI-UHFFFAOYSA-N 449.494 1.744 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCn3ccnc3C2)CC1 1748971089 CKHWLVBGGDSWJC-GOSISDBHSA-N 438.580 1.411 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2ccn(C)n2)CC1 1748979978 VKRFAEWCXGMGJF-UHFFFAOYSA-N 435.532 1.694 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1749199408 PGCZVYLIWHGMFW-UHFFFAOYSA-N 440.552 1.882 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1749411665 CPMCZXYRKRPGGC-HNNXBMFYSA-N 426.587 1.596 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1749658253 LZPVWAWAGWZOKV-UHFFFAOYSA-N 437.953 1.914 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750677691 JJWXXMITUPRPCX-IDYLYPCZSA-N 437.504 1.728 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750955485 YCFKPXFAUFNNOI-VZCXRCSSSA-N 449.515 1.505 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760183507 BRBYATQIXCNFHT-SFHVURJKSA-N 443.573 1.734 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1760187552 KBRNQGQATKKIDI-RBUKOAKNSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1760221172 MKQRVDZJJBDFDA-UHFFFAOYSA-N 438.557 1.705 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760397190 OKAHJPWGEQKGGA-HOCLYGCPSA-N 445.611 1.258 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CCC)OC)CC1 1760402317 JYXZVSOQWKZEQH-ZWKOTPCHSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(C)C)C1 1760521900 HDFLASBAIRKEMJ-OALUTQOASA-N 427.505 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760553714 YPMBBKQENMSXGS-LJQANCHMSA-N 445.589 1.704 30 10 IDEE CN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1766951404 IUYVSSJUCIRAAB-HTXNQAPBSA-N 436.476 1.441 30 10 IDEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC1=O 1767094617 CGJYFBWRZNOPOI-UHFFFAOYSA-N 439.520 1.314 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1C(C)C 1767855860 DRLKRYJHKJHBHW-GOSISDBHSA-N 432.550 1.903 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1769268288 MTZJEDMBDHWCBP-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770357892 HIAYHIRVZCDUDZ-UHFFFAOYSA-N 445.549 1.410 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccs2)CC1 1771360427 GZWNMAIBCKVOKJ-UHFFFAOYSA-N 443.558 1.598 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771366324 LYLVXIVMLCYTEZ-MRXNPFEDSA-N 447.540 1.200 30 10 IDEE Cc1ccc(N(C(=O)[C@H]2COCCO2)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 1850598764 ULLUIWYXXPHTHN-QGZVFWFLSA-N 432.502 1.749 30 10 IDEE Cc1nc(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)c(C#N)c(C)c1Br 1852989130 AHKNQVKHHPQUEB-UHFFFAOYSA-N 433.241 1.751 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(C[C@@H]4CCOC4)C3)CC2=O)c1 1853611501 SPBPLSPYVZMADA-ZWKOTPCHSA-N 430.936 1.801 30 10 IDEE COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855734915 ZQYVLGSQPBNELV-OAHLLOKOSA-N 427.482 1.558 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1Cc2ccccc2O1 1855986926 IOERRDCSJYWBFR-IBGZPJMESA-N 425.466 1.640 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891344 IGKIDHBBGYQLCY-KRWDZBQOSA-N 441.444 1.888 30 10 IDEE N#CCCN(CC(=O)O)C(=O)c1cc(=O)c2cc(I)ccc2[nH]1 1866530301 QRSQKKRCLCWLEQ-UHFFFAOYSA-N 425.182 1.573 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2cccc(C#N)c2)cc1OC 1868136867 MEMNPIQUDLBOPN-UHFFFAOYSA-N 431.470 1.494 30 10 IDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1F 1870155572 UCMUPCYVOSBJHZ-UHFFFAOYSA-N 449.358 1.729 30 10 IDEE C=CCn1c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(N3CC(O)C3)ncnc21 1873591225 FKBMYYQYRCJFLB-UHFFFAOYSA-N 437.500 1.788 30 10 IDEE COC(=O)C1(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2224117924 MVJVBRHIJITJDE-UHFFFAOYSA-N 434.298 1.922 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243438051 GOUCYGFOTCLTDF-CHWSQXEVSA-N 444.384 1.991 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247907963 LJPZUCKMUVCNOP-CHWSQXEVSA-N 439.343 1.464 30 10 IDEE CC(C)(C)OC(=O)N1CC(c2nc(=NC(=O)C#CB3OC(C)(C)C(C)(C)O3)s[nH]2)C1 2253360081 ULGLSTWYHBPUOA-UHFFFAOYSA-N 434.327 1.868 30 10 IDEE CCN(CCN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255606897 VJZFAMJQRRVVEJ-UHFFFAOYSA-N 437.350 1.443 30 10 IDEE COCC[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255626181 BZAJQKPIAOVKMI-ZDUSSCGKSA-N 438.334 1.369 30 10 IDEE Cc1nn(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255631627 BQQWVXJIQJRCPD-CQSZACIVSA-N 434.346 1.767 30 10 IDEE C[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)CN(C)C(=O)OC(C)(C)C 2255655113 IAZBOQUMVKWKSR-CQSZACIVSA-N 436.362 1.952 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255659826 YACHOOXEJWDBEV-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255671788 WUYACCKBOWPTEO-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255698234 HAFQKXNXBWJIIU-QGZVFWFLSA-N 434.342 1.943 30 10 IDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CC(NC(=O)OC(C)(C)C)C1 2255829473 PMUZVLPKJSRAQL-UHFFFAOYSA-N 434.346 1.847 30 10 IDEE CC1(C)OB(C#CC(=O)N2C[C@H]3[C@H]4CC[C@@H]([C@H]3C2)N(C(=O)C(F)(F)F)C4)OC1(C)C 2255857000 DDLBDKOLCKGPIM-AJNGGQMLSA-N 426.244 1.879 30 10 IDEE Cc1nc(NC(=O)CN(CCO)C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256625181 SOJYOBUYOOTAJC-UHFFFAOYSA-N 436.318 1.252 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2259355735 OLLKHJNYNGRFEQ-UONOGXRCSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267109342 OIWZLDWVKWZJFK-UHFFFAOYSA-N 446.353 1.945 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267179656 SUEMRLYDNODHQF-RBSFLKMASA-N 446.357 1.705 30 10 IDEE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267275951 VISBCPCHHGOHDE-WMZOPIPTSA-N 439.369 1.755 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267278680 DYXPVHSGADUZAQ-DLBZAZTESA-N 447.341 1.793 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267282777 HDPLLHGZERNNMD-LCGIIJARSA-N 448.325 1.989 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267293959 XVYRSKJAPWHNSN-JOCHJYFZSA-N 449.357 1.806 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2267496672 ZPTJOKGQBKLFLI-GJZGRUSLSA-N 446.357 1.943 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCSC[C@H]3CO)cc2Cl)OC1(C)C 2282311302 GTWIMLPSUXRBFG-SNVBAGLBSA-N 439.817 1.799 30 10 IDEE C=CC1(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCOCC1 2286031425 ONSPIZGMIGEKRC-QGZVFWFLSA-N 440.518 1.357 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2312974581 YKBRJQBEPRPCOF-KLHDSHLOSA-N 438.330 1.164 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CCN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2322310763 JUZMVMMVIQPNSV-UHFFFAOYSA-N 437.321 1.726 30 10 IDEE Cn1ncc(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334270088 APYBEAQXWHSPTO-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2334530529 APYBEAQXWHSPTO-IMJJTQAJSA-N 446.357 1.847 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2341163298 RKQCMESWOKUKLP-SOUVJXGZSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2356120311 IVTTZJUPCSRYDS-QLFBSQMISA-N 440.294 1.990 30 10 IDEE CN(C)c1ccccc1C#CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96350788 QZJIERZMPJGTEY-UHFFFAOYSA-N 427.526 1.555 30 10 IDEE CN1C(=O)N(C)[C@@]2(O)/C(=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc3[C@@]12O 138021262 FBLGRDBPYWFAER-JMZFCABKSA-N 428.361 1.164 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(=O)NCCN(C)C 409493402 JEXDPJOUAKVKNB-INIZCTEOSA-N 434.484 1.948 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 438195916 BWFOPTQBFKMVIF-UHFFFAOYSA-N 431.562 1.327 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 444338235 DBBIODGELQPKTG-UHFFFAOYSA-N 427.461 1.568 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 460792726 JEMOEERBOYCDTF-LJQANCHMSA-N 447.561 1.843 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471057739 RQVWVORAAXSMEM-KRWDZBQOSA-N 440.504 1.128 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 477441582 FFALFGMFFWETHE-ZDUSSCGKSA-N 433.555 1.187 30 10 IDEE CCOC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)nc1 478824444 IQMDFLWEBQYWDD-UHFFFAOYSA-N 432.477 1.921 30 10 IDEE N#Cc1ccc(Br)c(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 492352871 BJXUBXFPFDZRBA-UHFFFAOYSA-N 429.340 1.015 30 10 IDEE COc1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccc1C#N 516610204 ICLORDOTENIORB-UHFFFAOYSA-N 437.504 1.225 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C#N)cs2)c1=O 531131855 HLJTWTGRYYDWBJ-UHFFFAOYSA-N 441.534 1.668 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)CC1 547448863 RWOFVXRTRYNLNP-UHFFFAOYSA-N 436.512 1.655 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 561756917 ZJYLDWDGMQINSZ-UHFFFAOYSA-N 443.525 1.868 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 586863848 BSHUQHFELRLDEO-UHFFFAOYSA-N 444.488 1.237 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 604000890 GBHAIVBXWBVDQI-UHFFFAOYSA-N 441.516 1.728 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 604184362 NXDOETOQSFELFS-FQEVSTJZSA-N 449.983 1.343 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC1 611672774 JWBJGKHYBPYQOC-LEWJYISDSA-N 447.605 1.585 30 10 IDEE CC1(C)OB(c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2)OC1(C)C 725393619 OMLDPGOCPZDCOP-UHFFFAOYSA-N 432.145 1.769 30 10 IDEE CC(=O)N1CCC(N2C(=O)[C@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)CC1 730143796 VPLOVUZZXOIZIR-IBGZPJMESA-N 445.589 1.697 30 10 IDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 731475716 LRPMALHGODGBNK-SFHVURJKSA-N 442.541 1.321 30 10 IDEE COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 732153011 IURURFJVPGALRL-SVBVBMMNSA-N 442.472 1.555 30 10 IDEE Cc1c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 732651705 FWKTTWLHVRBXNV-SFHVURJKSA-N 443.552 1.971 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 733154380 DTLLSQRXOZMWIB-DVHJTTOGSA-N 431.452 1.495 30 10 IDEE N#C[C@H](C(=O)c1cccc(-n2cncn2)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 734706738 UMLAHHLZSOMDBW-HXUWFJFHSA-N 445.439 1.847 30 10 IDEE C#CCNC(=O)C1CCN(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 747816735 SYMPPKGEIUIBAU-UHFFFAOYSA-N 426.565 1.018 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758050156 OJEZWSRHVHGDDG-UHFFFAOYSA-N 445.456 1.846 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c(F)cccc1I 760576389 WYUPDAYPQFDGJK-FYWRMAATSA-N 429.189 1.687 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC2CCC2)cc1 765441258 VDXCRGDNOQAKDL-PTGBLXJZSA-N 436.534 1.371 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767747185 WBRIWGCWILTSNC-FFHGMXDLSA-N 437.493 1.392 30 10 IDEE Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n[nH]1 768743924 CBGJWHRUAYNPTL-PSNMVERHSA-N 446.533 1.217 30 10 IDEE C#CCN(C(=O)N[C@H](c1ccc(C(=O)OC)cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 776018747 DHGRHLFAPJFTTR-HUUCEWRRSA-N 432.420 1.909 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 781648390 GIWWZKLVJLKOGK-SFHVURJKSA-N 440.569 1.958 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cn1 784126788 SPBXBBXTARCARE-OAHLLOKOSA-N 429.506 1.372 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1C#N 787093189 IBVUXYLCLCWZQZ-UHFFFAOYSA-N 438.459 1.743 30 10 IDEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789402356 CNFBBEFPTHBUFC-MRXNPFEDSA-N 435.484 1.662 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)n1 790104816 XPVAUDUNUAAWOY-UHFFFAOYSA-N 438.937 1.709 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOC)CC1 802424507 OKJJMSSYIJJAMY-UHFFFAOYSA-N 437.548 1.421 30 10 IDEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 803181551 HUOFGTMQWOINRU-CQSZACIVSA-N 443.558 1.731 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2C[C@@H]2C(F)F)cn1 807936007 JTBCQHSJWQUDHG-IHRRRGAJSA-N 428.509 1.556 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 809893728 SSBAGWCPUCFAHT-WBVHZDCISA-N 434.541 1.830 30 10 IDEE C#CCN(c1nnc(CNC(=O)OCc2ccccc2)n1CC)[C@H]1CCS(=O)(=O)C1 812038439 OTIDCUWKIYMFMJ-KRWDZBQOSA-N 431.518 1.351 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC[C@@H](C)F)C1=O 814708147 CVOZUJKQJCTWRL-UBVFPVEUSA-N 430.527 1.018 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 820180141 WEBSFVBXVINRMT-HNNXBMFYSA-N 427.841 2.000 30 10 IDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)c1 1083976567 VIIYYSXJBIZPBL-UHFFFAOYSA-N 445.480 1.700 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N)c1ccncc1 1084401781 MRGHIQKCMDJFNC-UHFFFAOYSA-N 427.450 1.862 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cn1 1084492872 BSBPEFHALUFQIL-UHFFFAOYSA-N 442.465 1.459 30 10 IDEE C#CCOCCNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1137796209 ZPKSMHHYHUEMRL-OAQYLSRUSA-N 435.480 1.535 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)C1 1154958121 AGXKNCLYAGKFAH-SJORKVTESA-N 439.603 1.501 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CN2CCOCC2)C1 1286335824 MNHVJRYSLHBSHS-HKBOAZHASA-N 431.581 1.964 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1286389371 ITTHKAFAOGUKKR-LJQANCHMSA-N 441.557 1.385 30 10 IDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1286390784 CKWQYQURKHISFM-APWZRJJASA-N 446.529 1.454 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1286411147 ZLXIIQYFAZYFGM-NRFANRHFSA-N 435.528 1.974 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1286448491 WAXKRCAIKOOXAM-GOSISDBHSA-N 434.518 1.311 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N(C)C 1286455493 FFHOBSCVBFWLLJ-UHFFFAOYSA-N 430.509 1.944 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286716883 NTFQWJISYINALV-NRFANRHFSA-N 449.577 1.851 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@H](C(N)=O)C1 1286782136 LPCAJOZQYOSYSI-HNNXBMFYSA-N 428.562 1.889 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1286816786 LWLFAWWQXBUJCS-UHFFFAOYSA-N 432.550 1.246 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccc(C(F)F)n2)CCOC1 1288321984 NJXOSQDVPUOSTD-VBKZILBWSA-N 449.462 1.823 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1291268337 UTADIZUFLIIPEI-MVZUJROASA-N 439.545 1.732 30 10 IDEE CN1C(=O)N[C@](C)(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc2)C1=O 1299999569 PDMDNOVLPBIJTG-HXUWFJFHSA-N 444.444 1.772 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300494979 AVTHGZKKNPUPLW-MOPGFXCFSA-N 437.610 1.072 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1300494992 AYKOEWYQAIVERY-UXHICEINSA-N 428.558 1.960 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300506372 RGUGSAACWHWPOC-KDURUIRLSA-N 449.559 1.886 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)CC(F)(F)F 1300509393 KOWHISYXPNTLKN-UHFFFAOYSA-N 433.438 1.882 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1300537420 GWQHETSEBQZIBM-IBGZPJMESA-N 434.525 1.487 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300622287 UQMPSPXMDZKNRC-ULQDDVLXSA-N 428.516 1.035 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1300683941 UJSHDMXDQJSAGP-QTDGGUCWSA-N 431.581 1.699 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C2CC2)CC1 1301086481 JMJAUNPDQUESGU-SJORKVTESA-N 425.555 1.192 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1301120301 NAEGWBJNBVJYIF-IAGOWNOFSA-N 438.523 1.988 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301514280 IJAJZWSNNOZQOG-ZWKOTPCHSA-N 438.532 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301577564 LNEGAQMQQOHIAT-QGZVFWFLSA-N 442.501 1.058 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ncc(Cl)n1C 1301588905 LMVUNQWLSGGECH-CQSZACIVSA-N 442.973 1.796 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1301967753 GIUNLWIRVAAFTO-IRXDYDNUSA-N 436.582 1.569 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1301968639 NWVJMENCFNCGTM-HZPDHXFCSA-N 429.525 1.633 30 10 IDEE Cc1nc(C)c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)s1 1304638097 CMGHLCWQPBWPMI-CYBMUJFWSA-N 437.595 1.944 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1314480564 GMUVHYUZDSSCMZ-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1358955756 SSCBMAONECPUIC-FHWLQOOXSA-N 447.605 1.967 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1358961562 BHAROPBGJJPCNI-RBUKOAKNSA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1358967557 MYPTVGZOEOAGIJ-IBGZPJMESA-N 435.594 1.316 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(=O)NCC(F)(F)F 1359026035 HWBRITBFCLKXBV-UHFFFAOYSA-N 430.456 1.398 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1359036857 LRSXBWMMRQJJST-JOCHJYFZSA-N 437.592 1.376 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1359092256 YPNWFYNGQSRJCA-JZXOWHBKSA-N 439.520 1.621 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1359301724 JBWMNJVKUCKGLQ-UHFFFAOYSA-N 431.928 1.286 30 10 IDEE N#Cc1cn(CCC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c(=O)nc1O 1444124481 AKHCLQTZVQPOQD-INIZCTEOSA-N 435.406 1.620 30 10 IDEE C#CCN(CC(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1)C(=O)OC(C)(C)C 1450725116 WQAVDUSJOMRJTA-MRXNPFEDSA-N 429.583 1.765 30 10 IDEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1456206448 DTATXLYRDTZDMM-GTNSWQLSSA-N 426.520 1.178 30 10 IDEE Cn1ccnc1[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1457390293 SRVYJIPZLXMRIT-CQSZACIVSA-N 429.424 1.659 30 10 IDEE N#C[C@]12CN(C(=O)NC[C@@H]3CSCCN3Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 1469772838 FURPYHOUZBNURQ-NLWGTHIKSA-N 434.587 1.184 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccc(F)cc1)c1ncc[nH]1 1470161394 GWFWTXHWQDOUSB-SCLBCKFNSA-N 427.461 1.993 30 10 IDEE C#CCC1(O)CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 1473747382 NUUIQXREGVLSQH-UHFFFAOYSA-N 445.585 1.601 30 10 IDEE CCOC(=O)c1csc(N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)n1 1475792140 AAXRWEVQUGKQJM-UHFFFAOYSA-N 438.506 1.983 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H](C)N2CCCCC2)CCOC1 1502728099 GEWHYGREUWCIQE-CNNODRBYSA-N 432.569 1.923 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1503862438 HRWIENRATDXJMF-QGZVFWFLSA-N 443.529 1.783 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1505028429 YRBVZAKYSSKSMT-PERKRYKHSA-N 427.505 1.598 30 10 IDEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCNS(C)(=O)=O 1507604150 GOXMHIRTUFJMHW-UHFFFAOYSA-N 426.546 1.971 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1507605112 PEQAJAYYJNZVKK-QFIPXVFZSA-N 427.505 1.438 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507631600 FPCLDQUBGCZENU-HOCLYGCPSA-N 435.575 1.476 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1507634072 KUYQXMVXUDYEKT-MRXNPFEDSA-N 437.610 1.656 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507934705 GFZBQWAMAVYNIN-SJLPKXTDSA-N 429.569 1.375 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@H]2C)C1 1508111452 YIXFTVFWJYXOBG-MSOLQXFVSA-N 441.536 1.427 30 10 IDEE COCCOC1(Cn2c(C)nnc2N2CCN(c3ccccc3C#N)CC2)CCOCC1 1519339041 ADSPYHATDOUBON-UHFFFAOYSA-N 440.548 1.997 30 10 IDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1519523628 MHTTXSMOPOUDJD-AEFFLSMTSA-N 442.545 1.214 30 10 IDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OC 1535097288 BQUPCXSNRIVDFH-CQSZACIVSA-N 429.926 1.760 30 10 IDEE C[C@H](C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1538861501 GWYRXUXSFPJVEZ-APWZRJJASA-N 442.516 1.926 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCC(F)(F)CC1 1539395689 HBZXXAQIIUASNM-AWEZNQCLSA-N 433.525 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1539445922 KMULZIANGOIPMP-IRXDYDNUSA-N 445.568 1.240 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1539499019 BIAMVYWCYRCCOA-UHFFFAOYSA-N 438.600 1.284 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN1S(C)(=O)=O 1539538662 LBIHEQMEJVHYHT-MBOZVWFJSA-N 439.582 1.418 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](CC)C1 1540866139 DDXHLQBVGYRBEQ-KRWDZBQOSA-N 439.549 1.555 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1540868404 DKJGQOXXZOJKEU-QGZVFWFLSA-N 436.524 1.162 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1540870370 LTFLZEAUFPUHBR-UHFFFAOYSA-N 440.552 1.228 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1540872049 APJPFMNTMZTSKH-FQEVSTJZSA-N 426.565 1.634 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1(C)C 1555173385 SQKLJVIUNPLNCL-GOSISDBHSA-N 438.532 1.960 30 10 IDEE COCc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555308420 HFOAFFHHKRRTDO-SFHVURJKSA-N 433.472 1.849 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(O)CN(C(=O)OC(C)(C)C)C3)n[nH]2)c1C 1556321744 OVFAPFMCVRJBQU-UHFFFAOYSA-N 430.509 1.788 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1557965525 HEJZIGJOBVRKHR-KRWDZBQOSA-N 446.614 1.967 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3CCC(O)CC3)nnc12 1559019668 YQTNXFGIXNNYQX-UHFFFAOYSA-N 427.530 1.990 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 1565590211 RIKTXPHHIKYBRK-LJQANCHMSA-N 440.313 1.079 30 10 IDEE O=C1NCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1CC1CCCCC1 1570431290 YQRCDYOMOZFEFM-SFHVURJKSA-N 446.573 1.803 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C)cc(C#N)c3)c2)CC1 1584925439 DIKDIHBSOQIFSG-UHFFFAOYSA-N 426.498 1.972 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1587868987 HAHHUESTFBSAQC-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1588040560 OKKLKTAVDYELCY-DNVCBOLYSA-N 436.559 1.341 30 10 IDEE C#CCN(c1nnc(CC)n1CCNC(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1588058823 CZXMDJFUHCLTKX-OAHLLOKOSA-N 433.509 1.036 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1588074459 MXPKMIFVJZXTBV-OALUTQOASA-N 426.565 1.475 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CSCCS1 1588695123 DOTRKNAXLMHXNM-ULQDDVLXSA-N 426.608 1.937 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cn3ccccc3n2)CC1 1588749850 AKFOHZZVYHPSHT-LJQANCHMSA-N 437.548 1.648 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC(F)F)CC1 1588857449 NKXDDYUGRJKBPC-UHFFFAOYSA-N 446.502 1.208 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1589150988 OVSYTAHCQPRGSH-VBKZILBWSA-N 431.518 1.657 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1595577385 RFBJSOWYYMFRGQ-QGZVFWFLSA-N 426.521 1.478 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1595799316 YUCYUSFPBJZEFX-UHFFFAOYSA-N 425.599 1.693 30 10 IDEE CC(=O)Nc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1596321664 GVHOXOGYBLZBOA-IBGZPJMESA-N 428.456 1.947 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597349798 ACEUDLHMVFFZMV-QIEZACGCSA-N 444.536 1.389 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)CC2)cc1 1603335710 IQXWUMWXOOZPIZ-RTWAWAEBSA-N 446.573 1.017 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)C 1612273067 IBCAWMGNAVQGBX-UHFFFAOYSA-N 430.516 1.935 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1614909583 DCXFLHGMAXNAFU-KRWDZBQOSA-N 434.508 1.131 30 10 IDEE C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(OC(F)(F)F)cc3)[C@H]12 1616175050 LMUZJRPDJNZAAZ-JKJDWNRSSA-N 445.463 1.403 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1619465978 KUCWWENRALAWNE-VFNWGFHPSA-N 442.545 1.786 30 10 IDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(I)ccc1N 1627068088 QKWAZQCUNRLOIN-UHFFFAOYSA-N 428.274 1.561 30 10 IDEE CCc1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1S(=O)(=O)N1CCOCC1 1627628268 RMAJJAMVUGRIRV-UHFFFAOYSA-N 445.501 1.121 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1628174020 CSYNUIVRCJZCJB-CYBMUJFWSA-N 425.486 1.313 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 1629169020 VXWKGNIBNJUDLB-UHFFFAOYSA-N 429.564 1.834 30 10 IDEE Cc1cc(NCCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)n2ncnc2n1 1629195225 ODPXDCNMOHCZRE-UHFFFAOYSA-N 436.325 1.882 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1O)C(=O)OC 1629617348 NBBIBBLNZGLCKH-GOSISDBHSA-N 426.425 1.956 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)s1 1634307697 YMCDLARMPXMZOV-QGZVFWFLSA-N 437.562 1.937 30 10 IDEE CN(C)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1634520769 QRQSMUCGPIEAPU-JZXOWHBKSA-N 444.479 1.888 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1643151126 TZJZXLRUZRWGMG-MSOLQXFVSA-N 445.944 1.635 30 10 IDEE C#CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1644947582 GLPFXYDJSMKGQX-SFHVURJKSA-N 439.965 1.087 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)CC1 1659780240 WUGVZVFEEOEALW-UHFFFAOYSA-N 435.731 1.720 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1663918778 IODKQJCGXINPIJ-GJZGRUSLSA-N 445.463 1.634 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccn(CCN3CCNC3=O)n2)ccc1OC 1664793844 IEAGUQIHTKJJFH-INIZCTEOSA-N 441.492 1.920 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3cccc(OC)c3)s2)CC1 1672912996 OMAYMIVAOCUTBV-UHFFFAOYSA-N 449.558 1.360 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)N1CCOCC1 1673887402 LIDALORLPQIQKD-ULQDDVLXSA-N 437.541 1.318 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N(CCC)CCC)CC2)cc1 1686549260 AJJZRPKSOGBBIW-UHFFFAOYSA-N 436.578 1.893 30 10 IDEE C#CCN(C(=O)NCCCCS(N)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1686612980 NGCUUVDZWQQLIR-HNNXBMFYSA-N 444.351 1.986 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 1686848736 GRXKZOVZNOWMJV-KRWDZBQOSA-N 447.540 1.217 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccn(C)n1 1689836029 XIYCNURMRKHICE-INIZCTEOSA-N 441.561 1.630 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689855584 YKIJVTIXGPYXAO-LSDHHAIUSA-N 437.516 1.887 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1689961476 ZHRLMASNRHXBDH-UHFFFAOYSA-N 449.559 1.855 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1689981835 CEGUWWZWHOMVDS-VXKWHMMOSA-N 441.601 1.778 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689986578 SRENVEIWGWIXKY-MOPGFXCFSA-N 444.605 1.642 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2CCOC2=O)CC1 1690142973 YYHFHUFFFGFGJE-UHFFFAOYSA-N 439.520 1.092 30 10 IDEE C=CCn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653646 ZSSFBITYXJTTKJ-IIBYNOLFSA-N 431.541 1.945 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1690668997 PUIPNJGJCXKGBX-IWAYBZMOSA-N 439.545 1.972 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1690731900 SPTVTJLNFGRNSZ-HXUWFJFHSA-N 437.566 1.661 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1Cc1ccc(C#N)o1 1694356962 IRMOWZPUALSLHO-AWEZNQCLSA-N 427.465 1.350 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1695019511 WDIUBFDPKOWJNK-YGCDDZCOSA-N 443.552 1.813 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1)OC 1697756770 GTKMPJHDXZDNOA-QUCCMNQESA-N 426.521 1.831 30 10 IDEE COC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1697765506 NVLQRECYYJTPRL-QZTJIDSGSA-N 431.566 1.472 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1697926059 GMPLJWHSSZOKCJ-AUSIDOKSSA-N 440.548 1.909 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1698443521 PARKRYZZGDSGGR-UWWQBHOKSA-N 431.518 1.502 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1705491071 XKWPGMTUDLQECF-QGZVFWFLSA-N 435.532 1.372 30 10 IDEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705512753 NAWVEWJUXVNFCX-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CC1 1705628753 OERYTWREGDGBRR-PBYQXAPXSA-N 430.530 1.788 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1705631091 RMCFNNGDTRHJDB-IYBDPMFKSA-N 444.540 1.312 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C(N)=O)CCCC2)CC1 1705642708 FHLOBOKWWAEPSG-UHFFFAOYSA-N 436.560 1.966 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1705768271 ZXIYUFILAVABLF-KRWDZBQOSA-N 430.534 1.342 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)COC)CC1 1705782430 WYNZFHNPWSUNSP-NVXWUHKLSA-N 427.571 1.296 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(OCCN2CCCC2)CC1 1705899675 CILLZENIVGYLKQ-UHFFFAOYSA-N 441.580 1.667 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705903540 XRHRCMRJWFFGDA-QGZVFWFLSA-N 430.553 1.456 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2occc2C)C1 1705922768 RXRLNNQHVCJHRA-IAGOWNOFSA-N 442.520 1.732 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705932618 XATDDVJAHBLDRM-GOSISDBHSA-N 448.593 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(C)=O)CC1 1705935754 CMGSLJFQENGYCV-QGZVFWFLSA-N 425.555 1.225 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CCC1 1709185719 CBXDTUFIMFBJOV-BJLXPSRBSA-N 426.546 1.833 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1709829948 HGOIRNBIVURFIL-QFBILLFUSA-N 426.521 1.973 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1710874365 DAGFETNAKKXOSL-MRXNPFEDSA-N 430.534 1.343 30 10 IDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)C1 1711274940 GTZVRJRHBKDGDE-NRFANRHFSA-N 439.545 1.888 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H]1O 1711459931 MPIKIVATVRSSFK-JQERWDHBSA-N 439.516 1.992 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1722330729 WPZCOOHVTZQVIE-UHFFFAOYSA-N 431.518 1.211 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1722367413 NGTQRQPOWAUGTB-CRAIPNDOSA-N 448.520 1.605 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1722430163 ZJGROECTGLWFQP-GOSISDBHSA-N 440.523 1.876 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)cc2OC)CC1 1722438652 WRQJQZFMMXVCDW-UHFFFAOYSA-N 433.516 1.750 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722464544 JITVMDGALKSCQF-GOSISDBHSA-N 434.610 1.486 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722469639 DEDNSLPWUUHMEJ-VQIMIIECSA-N 437.470 1.934 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722501374 XVSVWYXRHBNJEG-FJIDUMEYSA-N 439.582 1.581 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722527665 QNPJTWLRSKWTFW-GOSISDBHSA-N 430.553 1.698 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722606636 RSVDHFAEELLZNT-INIZCTEOSA-N 441.540 1.289 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722629876 ZPQQRERJZLTVKI-SPEDKVCISA-N 433.553 1.766 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1722640024 BLYGYDPFGZCHPX-OAHLLOKOSA-N 442.586 1.564 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1723559837 GTZXRNIIXHSJMZ-SFHVURJKSA-N 444.561 1.892 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1728664112 CEQXNDNUVFBOJZ-UHFFFAOYSA-N 447.547 1.280 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(F)c1 1730955725 MCBVNOGQUJHBQB-SNRMKQJTSA-N 431.468 1.949 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(Cl)cc2)CCO1 1731185637 ATJZKYHBCHPAJF-KRWDZBQOSA-N 430.896 1.975 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1nc(C)cc1C 1740635521 PPRJPLMGOJHDHD-UHFFFAOYSA-N 440.515 1.897 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740694141 ZVOBWTQGQWFYGG-LJQANCHMSA-N 442.589 1.433 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H]2OC)CC1 1740701196 XRTDPVJIJUBDGP-ZWKOTPCHSA-N 430.553 1.197 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1740703645 ZRLWJRHBPTYFMO-UHFFFAOYSA-N 426.496 1.050 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740884200 SPUSAGREGYLYEQ-MRXNPFEDSA-N 447.561 1.608 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1740897772 SZFPSFOLDCVBNR-CQSZACIVSA-N 428.518 1.249 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1740958506 BUIQJKBRYMILGH-MRXNPFEDSA-N 436.495 1.892 30 10 IDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1740967499 IJQUXIIFYSCRCN-UHFFFAOYSA-N 440.548 1.627 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCOCC2)C1 1740971005 SMWIMQGLVAUZKB-MSOLQXFVSA-N 441.536 1.427 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1741798756 DZPWCZMHVQDKHY-ZDUSSCGKSA-N 441.517 1.909 30 10 IDEE Cc1nccn1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1742636765 CFRHOYHQGHCOOG-UHFFFAOYSA-N 434.504 1.493 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1747798948 SZLMOADKRFLXOU-UHFFFAOYSA-N 431.547 1.849 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1748081564 CWUVZVLVAJKEBT-AWEZNQCLSA-N 436.520 1.703 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)OC(C)(C)C)CC1 1748971112 DAAIAGPKBVCIMK-UHFFFAOYSA-N 447.584 1.476 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCSC2)CC1 1748999798 GBZCEHWSIMFZNF-JBYIUTFZSA-N 433.622 1.820 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749241477 OWHYAGNTUZEHAP-PGRDOPGGSA-N 448.568 1.467 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749456385 DEXAJBMLRNAQMC-IAGOWNOFSA-N 432.525 1.141 30 10 IDEE NC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750394799 CFVCNIOUYIAQPM-LVZFUZTISA-N 427.509 1.164 30 10 IDEE CC1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1752257660 CCPGOLOSHCOSIO-GOSISDBHSA-N 438.536 1.776 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760137655 LUVSWZRULMCJGI-HXUWFJFHSA-N 428.581 1.720 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1760173998 CCNGHUKTPURNOH-NHCUHLMSSA-N 441.601 1.814 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 1760185091 PKHGGNHODKYOED-SFHVURJKSA-N 432.546 1.279 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1760191212 CYQYCFWXEVTMFY-MOPGFXCFSA-N 448.593 1.582 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1760192656 WNFNZKLLWXXZFE-INIZCTEOSA-N 439.607 1.170 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760262778 AEAWFGHGJGKUQP-QGZVFWFLSA-N 448.618 1.214 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1760286764 UYXIPQQXHWBFAE-FQEVSTJZSA-N 437.566 1.575 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1 1760329700 HWTWNSFLINXSNK-INIZCTEOSA-N 428.603 1.402 30 10 IDEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760428058 ODWXVBDJDWYAOG-HXUWFJFHSA-N 446.596 1.509 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCC[C@H]1C)C1CC1 1760476894 JOVNDIZYLAOEKG-DJIMGWMZSA-N 425.555 1.191 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760517583 QZEXGWAMRKGLMQ-AWEZNQCLSA-N 431.518 1.863 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760528072 RDEFSPNEECAJOH-HZPDHXFCSA-N 433.484 1.539 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1760528718 KRHUKAHSDMNBMM-DYESRHJHSA-N 429.525 1.307 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760554835 ODLLKQIPBILNNN-HUUCEWRRSA-N 434.628 1.725 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1760695332 FYECPJHLZFDJBE-KFWWJZLASA-N 446.524 1.642 30 10 IDEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1760769870 HIWUGGYTUUEBLI-QGZVFWFLSA-N 433.520 1.913 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)COCCO1 1761037151 VEISMZDFXGKFKY-QFIPXVFZSA-N 425.537 1.875 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[C@H]2C)CC1 1761192508 ISRMZEQKIXYKTF-APWZRJJASA-N 435.532 1.646 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1763102212 HKULZTORIJRWJV-ZJYNUGOYSA-N 437.504 1.870 30 10 IDEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1765326730 ARNTWOPNDOOAAM-ONEGZZNKSA-N 432.492 1.118 30 10 IDEE CN(OC1CCCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1767438059 CVLYAORDGQTVBL-RMYFCYLKSA-N 429.481 1.066 30 10 IDEE CN(C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1768519998 CSRISUIMKASQKI-AABGKKOBSA-N 437.548 1.551 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1768633786 IAIAOFOHPZVWEM-GOSISDBHSA-N 445.545 1.230 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cscn2)CC1 1772567111 NCUUGYMFGKFTGR-QGZVFWFLSA-N 431.566 1.601 30 10 IDEE Cn1ncc(N2CCC[C@H](C(=O)N3CCC(COc4ncccc4C#N)CC3)C2)cc1=O 1849882228 QIQUMEAISLRBCM-IBGZPJMESA-N 436.516 1.581 30 10 IDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 1853344452 XZDXNQFSUVHMKC-UHFFFAOYSA-N 427.958 1.660 30 10 IDEE Cc1ccc(S(=O)(=O)N=C(NOCC(=O)N2CCOCC2)c2ccc(F)cc2)c(C)c1 1853412711 UFGWSUIUNBGTRU-UHFFFAOYSA-N 449.504 1.958 30 10 IDEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 1853545117 LUFARGLPGWGQPB-UHFFFAOYSA-N 443.939 1.698 30 10 IDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccn(-c4ccc(Cl)cc4)n3)C(=O)C2)C1 1855004011 ZKUHTOOXOYZRKP-GOSISDBHSA-N 426.908 1.798 30 10 IDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CC[C@@H](N2CCC(C#N)CC2)C1=O 1857294280 OTPLXYSKHONEEH-CABCVRRESA-N 426.464 1.994 30 10 IDEE N#Cc1cccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 1866576861 AHPSRRVNZJTUAW-PXNSSMCTSA-N 441.509 1.755 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCOCCO 1870501823 ZBFHPOVIRZENHY-UHFFFAOYSA-N 442.516 1.444 30 10 IDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535452 BAWNZVDXLBBMIB-UHFFFAOYSA-N 427.465 1.064 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579637 GPHLLTWOYQICFX-UHFFFAOYSA-N 427.528 1.829 30 10 IDEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891307751 XNCXVUPEOLJDJB-CABCVRRESA-N 426.502 1.574 30 10 IDEE C[C@@H](C#CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O)NC(=O)OC(C)(C)C 1901977032 UEVOEIWHCIXOCY-KBPBESRZSA-N 425.482 1.436 30 10 IDEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](N)C#CC1(S(C)(=O)=O)CC1 1902431221 NOGJLHKEEQCXLN-LJQANCHMSA-N 435.590 1.921 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634782 DMLKKFDSRUBNNU-UONOGXRCSA-N 434.302 1.397 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2109535154 RUPDFBNRWFZMIE-UHFFFAOYSA-N 445.369 1.892 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCN 2130084665 CWYNBVAJYFNHAO-AWEZNQCLSA-N 431.539 1.725 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCc2sc(C#CCO)cc2C1 2141433837 JQJXTBVXERSXEY-UHFFFAOYSA-N 430.507 1.076 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243673981 CXEAVSZXAQVTCR-LLVKDONJSA-N 427.332 1.657 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248412061 FUEYBJADMDYXID-SWLSCSKDSA-N 440.371 1.938 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CCNC(=O)OC(C)(C)C)C1 2255640859 MKEIJEZKYCNCPT-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256675509 HAQXBXVIJFPUSA-AWEZNQCLSA-N 439.293 1.734 30 10 IDEE Cn1cc(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267514785 FBAZMPZFBCPJIV-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2267606290 VRMKOEQUQRWDDC-CYBMUJFWSA-N 447.345 1.244 30 10 IDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2329013190 UELPLHMBODLGOX-AWEZNQCLSA-N 430.490 1.160 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)cc1OC 2330796649 VJJXRJHVPRBRMN-UHFFFAOYSA-N 435.506 1.859 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 2352398908 ZCVLTAGJXAAYDK-ZDUSSCGKSA-N 449.361 1.632 30 10 IDEE C=CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 20240476 CLMPYHSZOAUPPX-UHFFFAOYSA-N 446.573 1.606 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 32706394 IXBNWXLQSSSLNA-KRWDZBQOSA-N 443.525 1.804 30 10 IDEE C=CCn1c(=O)c2c(ncn2Cc2nc(C(=O)OC)co2)n(-c2cccc(OC)c2)c1=O 34694638 ABAQSEWHQLMDBG-UHFFFAOYSA-N 437.412 1.366 30 10 IDEE CCS(=O)(=O)N1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1 109891624 IIPJMVJDXDLNLP-KRWDZBQOSA-N 436.559 1.460 30 10 IDEE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccccn2)cc1 170353392 XABKUAKLUZHQOU-GOSISDBHSA-N 436.449 1.907 30 10 IDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(CCO)[C@H](C)C2)cc1[N+](=O)[O-] 428161953 FSKDOQCVEZUYRG-OAHLLOKOSA-N 442.476 1.519 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)NC4CCCC4)nn3)CC2)cc1 432123100 SQPJOKHVPAGTAL-UHFFFAOYSA-N 440.529 1.532 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ncc(Br)cn1 432527111 PDCNFRBAAIJMFE-VXGBXAGGSA-N 431.298 1.882 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 465118223 DKELBVFGACVONC-KGLIPLIRSA-N 426.427 1.717 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)c1 476214540 BTKMRQFNBUATKG-HXUWFJFHSA-N 439.516 1.698 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C[C@H]1CCCO1 517557874 VJIXRIOVQZAFSW-MRXNPFEDSA-N 427.501 1.342 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CCN1CCOCC1 535891987 IPDDHPZXQWHGQO-UHFFFAOYSA-N 447.507 1.248 30 10 IDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 543529209 IAVFQHWNWXISTJ-FQEVSTJZSA-N 434.496 1.927 30 10 IDEE Cc1cc(C)cc(-n2ncc3c(=O)n(CCS(=O)(=O)c4ccc(C#N)cn4)cnc32)c1 558272429 BNRHKJSZAPOETN-UHFFFAOYSA-N 434.481 1.940 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 558964490 DACFXWHRXJXJCX-SFHVURJKSA-N 449.581 1.305 30 10 IDEE N#Cc1cc2c(nc1NC[C@@H]1CCCCN1CCn1nc3c(cc1=O)CCC3)CCOC2 585623013 WICVZLIQAFPYPF-FQEVSTJZSA-N 434.544 2.038 30 10 IDEE CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 619840631 ZBMBDSPMMQGUOQ-VQIMIIECSA-N 440.570 1.168 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCO)CCc1ccccc1 642710782 OIRQCYJRGDTSGG-IBGZPJMESA-N 449.577 1.229 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(C(F)(F)F)c2)CC1 725390253 KGJZVHMSJWLDHI-UHFFFAOYSA-N 434.289 1.941 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732651125 WUQOFVOAYKHNHQ-QGZVFWFLSA-N 431.562 1.349 30 10 IDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(Br)cc1F 741339139 BNYQNNIBYWZCEN-MSUUIHNZSA-N 440.225 1.986 30 10 IDEE CC(=O)NCc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)s1 743144623 HBEFZWVESNGEKC-UHFFFAOYSA-N 431.474 1.058 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccc(F)cc3)c2=O)cn1 743725070 BYFGNFDPKVHFOG-UHFFFAOYSA-N 440.500 1.609 30 10 IDEE C#CCN(CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 749284120 NXHVIJXTJWCVIU-IRLDBZIGSA-N 447.601 1.461 30 10 IDEE CN1CCC(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)(N2CCCCC2)CC1 758541067 WQFZVAMNWPLCTG-OALUTQOASA-N 448.612 1.995 30 10 IDEE C[C@H](CC(=O)N1CCO[C@@H](c2cccc(O)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 766787198 IDMUPYFNAOFKFF-RDTXWAMCSA-N 429.498 1.809 30 10 IDEE Cc1cc(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 780208919 FSZBYSFMUWAKJU-YLJYHZDGSA-N 430.482 1.796 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 781598704 BDUZLZVZACBFPY-CYBMUJFWSA-N 443.503 1.417 30 10 IDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 785527111 GNYZTDPWQVGSCP-UHFFFAOYSA-N 440.934 1.370 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)n1 789044603 JYRUSRQXKCPFCR-VSKRKVRLSA-N 435.528 1.831 30 10 IDEE Cn1cc(/C=C\C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 792589463 UCYLIOQSSLOLQC-HPFMTEOYSA-N 427.892 1.160 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)c1cccnc1 807849166 KHGDGSMPXCNFMA-WMZOPIPTSA-N 430.530 1.571 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCOC4(CN(C(=O)OC(C)(C)C)C4)C3)CC2)o1 817537133 ZPXHSVCKGMAZTN-UHFFFAOYSA-N 445.520 1.919 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 916774267 LUDCOQHNOBSBEQ-QGZVFWFLSA-N 429.473 1.984 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1131128287 DHCPRCJTSSISKN-UHFFFAOYSA-N 447.538 1.904 30 10 IDEE COc1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1S(=O)(=O)NC(C)(C)C 1134817636 DKLISHKJPADUEL-UHFFFAOYSA-N 433.490 1.623 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc3c2CN(C(=O)OC(C)(C)C)C3)CC1 1136633061 YUNUHSTZBOKKIB-UHFFFAOYSA-N 440.544 1.835 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)s1 1139773324 QANTYSIBIAMSSQ-SFHVURJKSA-N 447.582 1.981 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(CC#N)n1 1153246263 VBQUHAXEXXICKY-INIZCTEOSA-N 434.905 1.973 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1153262806 QROQXWJJNYPLNV-UYAOXDASSA-N 434.558 1.311 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@H](CC#N)C3)CS(=O)(=O)[C@H]2C1 1166384506 HUXSIEYIXDWQBD-VQHPVUNQSA-N 425.551 1.809 30 10 IDEE CCOC(=O)CNC(=O)C1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 1168301933 GKEVBTVJDYDZBK-QGZVFWFLSA-N 444.532 1.722 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1177759233 MNHKIERNEJSYQJ-QZTJIDSGSA-N 439.965 1.087 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4CN(C(=O)C(F)(F)F)C[C@@H]4C3)cc2C1=O 1272586308 JJQSVGBGGFNBEU-KBPBESRZSA-N 435.402 1.951 30 10 IDEE C#CCCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286336460 YEWHZFJSRPCHHW-JBYIUTFZSA-N 434.537 1.482 30 10 IDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1286391069 CKWQYQURKHISFM-VQIMIIECSA-N 446.529 1.454 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccco2)CC1 1286487297 FOOQHKLEHFCURO-QHCPKHFHSA-N 441.532 1.926 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286541216 YJMGYTJPLYKWBH-OAHLLOKOSA-N 443.390 1.412 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1286600572 BSMVPEBCQNFBFU-UHFFFAOYSA-N 447.561 1.975 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286681354 UXIGMMYZKBTDEM-UHFFFAOYSA-N 440.552 1.996 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286711927 REFVAGRUZISRCY-RTBURBONSA-N 432.569 1.118 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2oc(CC)nc2C)C1 1286809543 JNWOZVSCLHKDTB-HOTGVXAUSA-N 435.550 1.869 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(CCC(=O)OC)cs2)s1 1294882973 MBRAPBRNIIYTGM-UHFFFAOYSA-N 429.545 1.956 30 10 IDEE COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCC[C@H](OC)C1 1300215072 MTWNUYZFJJYNGA-IIYDPXPESA-N 426.466 1.600 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)nn2C)c1 1300332777 NUVASKZJYIQKCG-IBGZPJMESA-N 446.515 1.376 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300485803 YUJWVZDCRIIGGX-GUDVDZBRSA-N 437.610 1.387 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1300490664 AXBYFIPQMRMHHY-AWEZNQCLSA-N 434.591 1.980 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1300491511 HWYFMGYGHAAAMN-NVXWUHKLSA-N 449.483 1.182 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1300579673 YFXTZYQXDVOATQ-GOSISDBHSA-N 449.577 1.033 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2C[C@@]2(C)CN(C)C2=O)n1 1300680777 DUMGGAMQEBDRSP-HSZRJFAPSA-N 448.531 1.301 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1300972761 PRHKHMCZQWNZML-SJLPKXTDSA-N 441.598 1.734 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1301085789 AHALFDAPQLWIIU-KURKYZTESA-N 439.582 1.319 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cnnn1 1301350927 DKDVTXWZPPPOMR-KRWDZBQOSA-N 425.472 1.638 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301509895 PFTRXSDVAQXIPY-HXUWFJFHSA-N 436.560 1.957 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)NC(C)C)C1 1301557027 LSHYFLAGHGKEBF-SJORKVTESA-N 427.571 1.281 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCCS1(=O)=O 1302241714 AYTWRGWYQMUHRS-QZWWFDLISA-N 425.555 1.565 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)OC(C)(C)C)C2)c1cc[nH]n1 1302898868 ZUCFJMNKHHSMQB-IMJJTQAJSA-N 449.508 1.598 30 10 IDEE CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1303182419 KTHFEFYMRJAEIC-OAHLLOKOSA-N 435.554 1.179 30 10 IDEE Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1304350316 SQVSWSVFTIGGHM-MRXNPFEDSA-N 425.880 1.778 30 10 IDEE N#CC1(CNC(=O)c2cc(I)ccc2-n2cnnn2)CCOCC1 1305274053 DJWBKXZMGOZJHR-UHFFFAOYSA-N 438.229 1.317 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CC=CCC1 1305786322 UQOGTXJVUXEJNZ-FQEVSTJZSA-N 440.596 1.635 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 1312570582 RLFHRJMNGWEEIG-UHFFFAOYSA-N 446.888 1.246 30 10 IDEE CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1313223378 OLMHOPSHRDOEBI-HNAYVOBHSA-N 440.566 1.746 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1316101296 HBUQCCKXCREART-KRWDZBQOSA-N 432.550 1.455 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316358696 GEBJBXQJRGAJKD-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358873661 MBCJQGLFSWTOSL-WZONZLPQSA-N 440.548 1.668 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1358918044 JLLLCIYSHSZUAD-FHWLQOOXSA-N 434.562 1.432 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1ncc(Cl)cc1Cl 1358939279 UCUQVACBTBFNMO-LLVKDONJSA-N 446.364 1.772 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn2ccccc12 1358941480 LSLFDBCHRSUJPE-UHFFFAOYSA-N 449.540 1.961 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1358979807 YGVSCDDXLYPDDN-RTBURBONSA-N 449.577 1.033 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(O)CC(OCC)C2)CC1 1359043257 NRBNYDOMEQEEES-UHFFFAOYSA-N 440.548 1.179 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1359058745 OLLKNDVAWFZWQA-UHFFFAOYSA-N 431.537 1.669 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1359097025 KGWKOLRGLJIYGY-GHTZIAJQSA-N 440.548 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359336434 PVUUNLCOMWXKDR-SJLPKXTDSA-N 434.566 1.978 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1359471956 CNLCBMJGDHDOSM-QAPCUYQASA-N 441.511 1.849 30 10 IDEE C#CCN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1435068157 FCJBUZUZOKXSRP-IHPCNDPISA-N 434.558 1.178 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cncc2nc(C(F)(F)F)n(C)c12 1435553581 UWOQBNBJOJLNOF-NSHDSACASA-N 430.394 2.000 30 10 IDEE C=CCNC(=O)CNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1446850672 ZCNYNXGDZRVJLE-GDBMZVCRSA-N 443.363 1.461 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 1454294369 HPEOLFPFQDCUPT-AOMKIAJQSA-N 440.537 1.879 30 10 IDEE C=CC[C@@]1(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 1461156590 AWZQSVNYWCEWEA-PMACEKPBSA-N 428.551 1.748 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)CC1 1464844415 IAVGYEXWLBEIMV-UHFFFAOYSA-N 449.433 1.873 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NCCCC)CC2)s1 1464985961 GRQMOHFANQFORB-UHFFFAOYSA-N 427.592 1.910 30 10 IDEE CCOC(=O)C1([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCOCC1 1472167786 CZLRFVNBTUAEJK-CYBMUJFWSA-N 426.466 1.601 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1495486249 FCQRUOTZLABLGO-AOMYARPXSA-N 429.525 1.423 30 10 IDEE CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1502237644 CVZMTCSYVFNYCO-AWEZNQCLSA-N 443.537 1.056 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccccc2F)n1Cc1ccc(C#N)o1 1503638642 LAZVQZNVUAXJPY-UHFFFAOYSA-N 433.465 1.990 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507627644 KVJBCYWCNUSCGV-AEFFLSMTSA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1507633280 FLSMNLDMTKBOEF-GOSISDBHSA-N 444.557 1.923 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1507638385 DYSHFALDDSBMOA-IBGZPJMESA-N 441.557 1.944 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507701878 BZZUILDNCGCQLT-GOSISDBHSA-N 449.552 1.875 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC)C1 1507791582 NLOADUJGEQWBRS-ILXRZTDVSA-N 442.358 1.873 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1508070773 CNXFRSZKWBRKPH-HBMCJLEFSA-N 448.612 1.419 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(F)(F)F)CC1 1508132096 UVAJQNRLVIJBSE-UHFFFAOYSA-N 449.499 1.894 30 10 IDEE CCOCc1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516490603 LTUPENBYFSWTIB-VVHMEEEESA-N 430.509 1.345 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1516827412 UASLHGGNSCARGH-APWZRJJASA-N 446.577 1.695 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1517648271 JAZVXBWQPMCWLW-DLBZAZTESA-N 438.488 1.397 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)C1=O 1527209482 FARDYFJHRCODMG-HZPDHXFCSA-N 427.457 1.650 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539212828 TUZPMYKLEGRLPR-SFHVURJKSA-N 431.562 1.959 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1539224881 JPPVIDWVZMDIMW-GOSISDBHSA-N 447.561 1.820 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1539291474 QRMAXIISRHZNPS-HXUWFJFHSA-N 427.597 1.153 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2C2CCCCC2)CC1 1539427967 KVIAGELUHDEHEJ-NRFANRHFSA-N 441.624 1.969 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCCCCC2)CC1 1539430019 FSDFPUWEMYXNKS-QHCPKHFHSA-N 431.581 1.771 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1540064419 SCAGUOCHCCLGCY-OAHLLOKOSA-N 442.545 1.639 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1540868796 RTXLBPRXPVGKMD-INIZCTEOSA-N 442.568 1.360 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1540872851 CKNDIEVWDDMFIY-UHFFFAOYSA-N 432.532 1.590 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1541115608 BSAJBAQTPPZJQU-HZPDHXFCSA-N 446.581 1.337 30 10 IDEE CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1541386438 OIYAXNNREKHFHY-NQIIRXRSSA-N 429.546 1.849 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2CCCO)CCOC1 1541723968 KZYCPHFYMWKJKE-NFBKMPQASA-N 446.596 1.905 30 10 IDEE Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543236147 NQAGVMSQKLJMEW-ISLYRVAYSA-N 445.524 1.606 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)C2=O)cc1 1543518404 SRKAUXDXYBYOPJ-DYESRHJHSA-N 444.513 1.191 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](CN4CCOCC4)C3)C2)C1 1544873179 LXOJUOYFHABYMG-NUXKCHKQSA-N 432.565 1.954 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2C[C@H](F)C2)C1 1555813332 MVPJAAKPPZAMGV-ATNYBXOESA-N 444.508 1.191 30 10 IDEE Cc1cnc(OC2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)nc1 1557290060 AOTAHYCYGXPKOV-UHFFFAOYSA-N 429.502 1.661 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 1558253114 DYTMQNWSAUCCKF-GOSISDBHSA-N 427.482 1.696 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1564547067 GHGHLKJMEFQEGD-KRWDZBQOSA-N 447.561 1.603 30 10 IDEE N#C[C@@H]1COCCN1C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1565731283 AQZLUBDGGFZKTI-VFNWGFHPSA-N 448.479 1.520 30 10 IDEE C#CCN(CC(=O)N[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C)C(=O)OC(C)(C)C 1568492636 SRDUZGLRWXRJOK-IBGZPJMESA-N 446.552 1.194 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)c1OC 1585387238 GNIIBLXUOMJBOJ-DYVFJYSZSA-N 433.486 1.358 30 10 IDEE C#CC[C@@H](COC)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1586385755 IQLDOWLYDMEGFW-IRXDYDNUSA-N 444.557 1.699 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1587782917 DIGUAKVIWFDVPS-UHFFFAOYSA-N 425.537 1.823 30 10 IDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1594824516 KFHXCXFGHLYYNH-GOSISDBHSA-N 444.561 1.733 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn[nH]c1 1595259677 BCDCGFLDILTLRH-QGZVFWFLSA-N 430.534 1.974 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1595517424 YEJYLUYNNXLNPZ-LJQANCHMSA-N 437.548 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1595530266 ZAFLRZWGOQVVNL-MRXNPFEDSA-N 426.525 1.026 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1595722883 OMJKSEJKMJZMRR-QRVBRYPASA-N 433.553 1.796 30 10 IDEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1596709503 JVXBKGXQTOVXGK-OAHLLOKOSA-N 434.508 1.176 30 10 IDEE O=C([C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@H]12)N1CCOCC1 1614389079 SOZXAFBBXYMNSJ-DGADGQDISA-N 445.463 1.367 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1615838056 JBSLXBZGZPSZPT-FUHWJXTLSA-N 444.971 1.748 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCN(C)C[C@@H]3c3cnn(C)c3)c2C#N)C1 1618706350 VNANTMLGZBITLJ-FUHWJXTLSA-N 426.546 1.932 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618731555 NHAIKSNSHKTJCO-MRXNPFEDSA-N 446.554 1.328 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccccn2)CC1 1620164162 GDSLOLUTYBLTDS-UHFFFAOYSA-N 437.529 1.583 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCOC4(CCOCC4)C3)n2CCOCCCO)cc1 1620351032 QIURMFJMJBAWIP-UHFFFAOYSA-N 427.505 1.602 30 10 IDEE Cc1ccc(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)cc1S(=O)(=O)NCC#N 1623932947 XVVXAZAKCWECLL-UHFFFAOYSA-N 431.522 1.001 30 10 IDEE C#CCN(CC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)C(=O)OC(C)(C)C 1627130243 YKAQVGQHNQGKCD-UHFFFAOYSA-N 431.489 1.976 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C[C@H]1CS(=O)(=O)C2 1627136508 KIITVCXYDJTGKL-OAVHHTNSSA-N 425.869 1.229 30 10 IDEE CN1CCN(CCCN(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1628127492 JEZHGRDGMAQYGW-KPRXVCGWSA-N 433.597 1.869 30 10 IDEE COCCN(C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCS(=O)(=O)C1 1628597154 OPTFNUBWDVTSFC-QGZVFWFLSA-N 437.367 1.570 30 10 IDEE CC(C)(C)OC(=O)[C@@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 1628701733 GEOHCQDCZQGLQX-HXUWFJFHSA-N 437.518 1.122 30 10 IDEE CCN1CCN([C@@H](C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1632797192 OGNYHVFDVXZXSL-NUXKCHKQSA-N 433.597 1.915 30 10 IDEE Cc1c(C(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cnn1CCC#N 1633335153 AFLPWULUATXCCH-KRWDZBQOSA-N 444.536 1.789 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CC[C@@H](O)C2)CC1 1633356193 RRWZVTUXLOMQBU-MJGOQNOKSA-N 448.589 1.197 30 10 IDEE O=C(Cn1nc(Br)c(Br)n1)NCc1ccc(C(=O)NO)cc1 1634104674 FZSQHHXKTOADOI-UHFFFAOYSA-N 433.060 1.239 30 10 IDEE COC(=O)CC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OC 1635849695 FELJAGQVKQXXME-IYOTWJRTSA-N 437.493 1.384 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cccnc1=O 1635986273 PTHSYRGXYZQVPZ-MRXNPFEDSA-N 431.518 1.047 30 10 IDEE C=CC[S@@](=O)(=NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccc1 1636975138 AGGMKXLSLFBLQZ-SUMNFNSASA-N 435.527 1.692 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 1637909779 WHHWXLIRLAZJOJ-KRWDZBQOSA-N 427.505 1.182 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)Cc2ccc(Br)cc2C#N)(C(N)=O)C1 1638568885 LLNKZTUOXMXHJS-UHFFFAOYSA-N 437.294 1.454 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(=O)N(CCC(F)(F)F)C2)s1 1640912238 IAYXBMHCDDUSEY-UHFFFAOYSA-N 425.454 1.336 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 1645433009 CQULNWUYKIJWMC-QGZVFWFLSA-N 448.545 1.885 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)ccc1F 1652394362 OYDFLEVCPDKSFR-CQSZACIVSA-N 430.523 1.520 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1689942850 FAALKDNLHKYFHK-NRFANRHFSA-N 436.560 1.965 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689984822 VZPDOISGSMCRHB-AVRDEDQJSA-N 446.573 1.987 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1689994399 XLKKEXUMCCCRRO-GHTZIAJQSA-N 438.594 1.425 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(-n2cccn2)cc1 1690102137 DFWQDCCHBBCQKF-FQEVSTJZSA-N 433.516 1.744 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690155657 MFGZZGMFBAZMOT-MRXNPFEDSA-N 447.565 1.832 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690532710 SHZDNCKCKYLADD-AWEZNQCLSA-N 438.579 1.173 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1690565444 JYOKUDVMINTEQT-KNQAVFIVSA-N 445.589 1.439 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1OC 1690596960 FQMUPPFJQZBUGX-KURKYZTESA-N 439.582 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)COC)CC1 1690666761 FXVXGTSRJJTFPY-UHFFFAOYSA-N 449.515 1.091 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3CCC(=O)N[C@@H]3C2)cc1 1690678461 WSYXDRKRRWAQBL-PKOBYXMFSA-N 438.532 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1690725620 WRUWTTIIGBDKMO-RTBURBONSA-N 438.642 1.436 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C[C@@H]1O 1693886161 ZIQVNGYLKJPZIR-GDVTWYKTSA-N 427.505 1.476 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCN(C)C(C)(C)C1 1698227284 BVCXKPOAMDCACC-QYZOEREBSA-N 433.601 1.766 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705515598 IGJRAPLMTOURIS-MOPGFXCFSA-N 441.580 1.166 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1705561136 QFHANYJTQJTZBK-WKRCXCSHSA-N 436.578 1.756 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705562805 KPNUSCSEKZAHIL-RZQQEMMASA-N 434.518 1.013 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705615176 KBBFXNQKJXELIL-QGZVFWFLSA-N 431.562 1.619 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCN2CC)CC1 1705635271 VJCWOQZQYLEXMM-OFNKIYASSA-N 430.597 1.558 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@H]2OC)CC1 1705648073 QWBGOJBPLRUKSO-OKZBNKHCSA-N 428.537 1.010 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705708255 ZZXJGCJCKGAIPY-KQZHTCIUSA-N 447.580 1.967 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 1705932887 MYRHTJYUJDPYED-IBGZPJMESA-N 437.953 1.901 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2)CCOC1 1706680529 RGHVZWUHJMNWBC-KNQAVFIVSA-N 432.569 1.923 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(N(C)C)CCSC1 1710697753 JYQYCKBZRMACFK-OAQYLSRUSA-N 443.577 1.787 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722358814 LYDZTOWPVBXQAC-HNNXBMFYSA-N 444.623 1.416 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722366954 JXXRGTIXQHGROK-IEBWSBKVSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722370903 RRTMVBLPOQYQDT-ZWKOTPCHSA-N 449.577 1.159 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1722402256 JYBSUGJIUZVHQQ-INIZCTEOSA-N 432.550 1.603 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)N2CCOCC2)CC1 1722440151 DMUGSSTXZLSCGU-OAQYLSRUSA-N 438.576 1.641 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1722507703 IVIVJHHEOHKONY-HBFSDRIKSA-N 433.553 1.796 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 1722696976 VYCMGLOQVPOPAD-UHFFFAOYSA-N 427.553 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722726344 CMSYIXGTDRPMDQ-CABCVRRESA-N 432.612 1.794 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1730628834 AYIHZEVQURAZPE-QRWLVFNGSA-N 435.550 1.474 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740645613 JONKIXDVICXOSN-BGYRXZFFSA-N 449.559 1.888 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2([S@](C)=O)CC2)CC1 1740697144 SZROYJLXERVZLT-PMERELPUSA-N 427.574 1.544 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(O)c2)CC1 1740710250 UCGFJBGANOWUFL-UHFFFAOYSA-N 440.573 1.913 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740718661 TUWAZSHSTFLJPE-GOSISDBHSA-N 448.593 1.460 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740765717 BXLXLSKNCHZOSR-LVCYWYKZSA-N 438.594 1.869 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1740964167 JPTHNXXIBGACPQ-KRWDZBQOSA-N 427.505 1.775 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740989653 UGUAIRUYUWPDMJ-NRFANRHFSA-N 429.546 1.571 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1743384358 DITXVEQUAIDQLA-IWMITWMQSA-N 426.452 1.711 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCOCCS(C)(=O)=O 1748784840 IBXMUZOAPBQZQW-UHFFFAOYSA-N 429.502 1.731 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1748817053 DAKNBVRFPJFJQZ-GUDVDZBRSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1748822147 YXXFIFFYHMEULI-PXNSSMCTSA-N 434.587 1.827 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC 1748882047 KGWIKODOTVCSEU-UHFFFAOYSA-N 448.570 1.246 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)nc1 1749157932 AVHPNBYJQRILQX-SFHVURJKSA-N 434.566 1.765 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1749457317 JHCKNTPRGYCMLK-GOSISDBHSA-N 449.581 1.281 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 1749684062 OUTJKFHDLRSJIP-IEBWSBKVSA-N 438.532 1.934 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)C1 1749686937 HKLZXSHCNHNCKC-UHFFFAOYSA-N 433.472 1.475 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CN2CCOCC2)C1 1749717939 RJGZGSQZLYTPLQ-RXVVDRJESA-N 443.596 1.889 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760157073 CKPOKIPSXDCFPK-UHFFFAOYSA-N 440.552 1.127 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190621 XXXNTWAQTCYBOE-IERDGZPVSA-N 431.562 1.841 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760193187 WGQNOBAAJQXMIG-DLBZAZTESA-N 448.545 1.527 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](CC)C1 1760522964 IEXOMYHYDPXCFV-HNNXBMFYSA-N 431.566 1.777 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3csc(C)n3)nnc2N(C)C[C@H](C)C#N)CC1 1760624522 PNNSJIFLDPRVOM-OAHLLOKOSA-N 430.582 1.394 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1763244398 DZSPBMZNTXHPMH-HMWBCQRISA-N 425.518 1.808 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1766378329 HROKBWPYZALYLE-IBGZPJMESA-N 426.521 1.785 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1769097019 ZAUHODKNDJUPQQ-FMVUODCNSA-N 444.536 1.907 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1769271889 FNMBFFSITSZMHA-KRWDZBQOSA-N 427.484 1.795 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1770158596 ASBJKYKVFORKNN-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCN2CCCO)CCO1 1770748075 WLADAPWDPQHAKB-RTBURBONSA-N 441.492 1.429 30 10 IDEE COCCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1771270255 SERDGQISOWZHQV-QFBILLFUSA-N 425.555 1.363 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CCO1 1771537244 KLUQSJRWLUWQEE-HZPDHXFCSA-N 434.447 1.988 30 10 IDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)Cn1nnc2ccccc2c1=O 1848872335 BLKUYEZQGOOLIA-UHFFFAOYSA-N 425.246 1.800 30 10 IDEE C#CC[C@@H](F)C(=O)N(c1ccccc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 1850540992 DZROGMUMWLFTRH-GOSISDBHSA-N 440.479 1.571 30 10 IDEE COCc1c(C(=O)NCC#CCN2CCOCC2)nnn1-c1cc(Cl)ccc1OC 1850691941 AFCMECDETIKFQC-UHFFFAOYSA-N 433.896 1.141 30 10 IDEE N#Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1NC(=O)[C@@H]1CN2CCN1CC2 1852102217 TXVIMLDJEJXQGT-ZDUSSCGKSA-N 425.802 1.749 30 10 IDEE CCC(=NOCCN1CCN(C)CC1)NS(=O)(=O)c1cccc(C)c1C(=O)OC 1853437919 BHVOKPFFGVVZME-UHFFFAOYSA-N 426.539 1.047 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@H]2COc3ccccc32)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854627803 VDXUUZCHWOXQGY-KSSFIOAISA-N 425.466 1.482 30 10 IDEE Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)c(C)cc1Cl 1855003158 NBZUYKZAYKUNRJ-OAHLLOKOSA-N 438.937 1.304 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@@H]2C)cc1C 1857223758 OYEWFYBEPNMEQK-HNNXBMFYSA-N 427.482 1.937 30 10 IDEE COc1cc(C(=O)N[C@H](CO)C(=O)N[C@@H](C#N)c2ccc(C)cc2)cc(OC)c1OC 1867338330 ZACQZUQZFNQEQL-DLBZAZTESA-N 427.457 1.493 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCCOC 1870544266 ZOOACXJHJHMKIH-FQEVSTJZSA-N 433.549 1.733 30 10 IDEE C=CCN=c1nc(Nc2ccc(I)cc2)[nH]c(N(C)CCO)n1 1871703808 HKLZKUKMESOVPT-UHFFFAOYSA-N 426.262 1.668 30 10 IDEE CN(CC#CCNC(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)Cc1ccccc1 1889322966 GTCONECDZUZXPE-IBGZPJMESA-N 440.569 1.597 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2023499668 VKHUBTVUOQQENG-IUODEOHRSA-N 425.345 1.983 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c(N)c1 2162580758 OYUBWWVOJCRIOV-QGZVFWFLSA-N 430.486 1.456 30 10 IDEE N#CCc1cccc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2195345903 NALWXGFHGXCJRG-GOSISDBHSA-N 431.470 1.832 30 10 IDEE Cn1ncc(C(=O)N2CC(NC(=O)OCc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2243370818 SNDQGVASNWHLST-UHFFFAOYSA-N 440.309 1.470 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n1 2255654436 WWFKNMUXLOMDIF-UHFFFAOYSA-N 434.346 1.802 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267007625 YZRZDPFEDNFGRF-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2267264911 XZMWOIJJGFRIIQ-HDICACEKSA-N 437.353 1.603 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2267479991 SWAPEZHIQONYTM-CABCVRRESA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2C(=O)C#CB1OC(C)(C)C(C)(C)O1 2267563974 DOFITXMNSWBLEK-QFIPXVFZSA-N 447.341 1.349 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267601412 VHJMVYUYODRGJE-NVXWUHKLSA-N 449.357 1.688 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2267602063 GIWSTUZSGGEPEN-IMJJTQAJSA-N 444.341 1.904 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282545790 SQOSYNSMCWJWLA-LBPRGKRZSA-N 425.722 1.788 30 10 IDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 2322310449 FVGJKHOYYMMVRW-UHFFFAOYSA-N 441.309 1.180 30 10 IDEE COc1[nH]c(=N[C@@H]2COCC[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339786632 OJYSQWWUHQJVKR-HZPDHXFCSA-N 449.357 1.905 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 195618315 HVUVBYILRAQAPC-UHFFFAOYSA-N 433.560 1.603 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 438056214 QPSIZEIECWYLGL-YJBOKZPZSA-N 438.506 1.592 30 10 IDEE N#Cc1ccc(CS(=O)(=O)c2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1F 447497602 AMLSERDAJJUDIG-INIZCTEOSA-N 435.481 1.278 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1CC 477020570 KHRRYLMCEZTZPB-UHFFFAOYSA-N 436.306 1.637 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 480962299 MKLFEDRNAQDAEH-UHFFFAOYSA-N 444.472 1.736 30 10 IDEE COc1cc2c(cc1OC)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 481116266 HNZOZSHWLPQPSS-OAHLLOKOSA-N 443.525 1.870 30 10 IDEE Cc1ccc([C@H](C)[C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 493001749 BCVIQBUDOPTRQS-UWJYYQICSA-N 427.526 1.864 30 10 IDEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1 501995773 VKNYOFXKEPQYKE-KRWDZBQOSA-N 449.536 1.273 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 504859354 RYYPISBISBSBIH-UHFFFAOYSA-N 441.557 1.859 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 505700578 QBYWKKLHRMDPEW-HNNXBMFYSA-N 428.558 1.639 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508651096 FJWFWAAZNBWUDB-YADHBBJMSA-N 438.576 1.865 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 508798630 VOARGTIAYUAKGL-SFHVURJKSA-N 449.581 1.219 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 513095851 MASAHSBEFFHWSL-OAHLLOKOSA-N 426.452 1.986 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc2c(c1)OCO2 516687960 JOTOVDRNPRTFCD-SFHVURJKSA-N 449.533 1.552 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 540121940 DDFTXXTXLSZXRW-RDTXWAMCSA-N 431.518 1.176 30 10 IDEE CN1CCC(C#N)(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC1 570731699 RIDYOJAIKFOQSA-SOXBMFEASA-N 444.535 1.570 30 10 IDEE O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 673891052 YBEFZDBWVQEKKJ-HXUWFJFHSA-N 437.521 1.983 30 10 IDEE Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O 735338751 WNAAFLAKVOYRHD-QGZVFWFLSA-N 445.472 1.911 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 745814474 ZVBCBDWPPQOKJS-ZGTROFRASA-N 445.442 1.345 30 10 IDEE C#CC[C@H](O)CNC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757485848 NRBJYCUQAWYKDC-BTYIYWSLSA-N 436.464 1.869 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757487640 UTUZDXNPJFZTOR-YCRPNKLZSA-N 436.464 1.869 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)c1 771734113 MHBVZFXEOYQAGE-UHFFFAOYSA-N 446.481 1.731 30 10 IDEE C#CCN(C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774163218 DSWHLFULXJJYOR-APWZRJJASA-N 439.965 1.545 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)ccc1F 784386778 AKYAHGGJJAKEKT-KRWDZBQOSA-N 432.477 1.610 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c(C)c1 807930203 RDCHYNCJSVCIEY-SFHVURJKSA-N 443.577 1.632 30 10 IDEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 837841529 CAVHFUBTILHLMI-QGZVFWFLSA-N 449.536 1.273 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)nn(C)c2C)c1=O 917355792 CHFVFEAABOTJMU-UHFFFAOYSA-N 435.553 1.585 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCC2(C#N)CCCCC2)C1 1131330030 HUPTUMFVPPRIHH-FOIQADDNSA-N 425.551 1.858 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)[C@H]1c1nccn1C 1136604160 WJQJPHLFLGZEDP-SFTDATJTSA-N 436.516 1.319 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)n[nH]2)c1C 1136743292 NPYLPFINAXUJGI-GOSISDBHSA-N 427.553 1.212 30 10 IDEE C#CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)cn1 1161272097 HLJAOSVDEDPTOB-UHFFFAOYSA-N 439.497 1.328 30 10 IDEE N#Cc1cn(CCNC(=O)COc2ccc(Br)cc2Cl)c(=O)nc1O 1167523451 DVOJNKJTDGDAMP-UHFFFAOYSA-N 427.642 1.432 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)cc1 1198250346 BGCSPRYNUUSCPP-QZTJIDSGSA-N 437.610 1.696 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)C1 1248682300 VZMNJJJTXJSHTD-IRXDYDNUSA-N 428.537 1.671 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)CC2=O)cn1 1268932213 GMGBVEDAIFSYAT-GOSISDBHSA-N 447.499 1.471 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@H]1OC 1286280057 SOALSMOSUCVZRY-VDZJLULYSA-N 432.546 1.858 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(C)(C)O)CC1 1286488950 ZHRCOBMSHCPRRM-QFIPXVFZSA-N 433.553 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(CC)CC)CC1 1286493553 HHYHADKBHANXLV-GOSISDBHSA-N 443.596 1.097 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(CCOC)CCC2)CC1 1286494713 WDVAGVWMFDOYAL-IBGZPJMESA-N 429.565 1.955 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1286553324 DDQYLXAYBXCYNZ-KSZLIROESA-N 439.582 1.583 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)COC)CC1 1286686519 AAYQHWCMUFCSMQ-MRXNPFEDSA-N 439.582 1.268 30 10 IDEE C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1286777856 NJMLCTFJYFLJIY-MBSDFSHPSA-N 446.596 1.686 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2nc(C)no2)CC1 1286793941 QIVSHRLVRUDVOR-WMZOPIPTSA-N 445.524 1.380 30 10 IDEE CCCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1294897162 HGZZVBLRCWYYKH-OAQYLSRUSA-N 438.467 1.160 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(OC)c2)CC1 1297520515 YUXFHZTZHIXAGK-FQEVSTJZSA-N 444.532 1.155 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1297664438 VHVPNJJUENXUAD-GHTZIAJQSA-N 448.571 1.700 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1297981555 ATZAALBUSFRQST-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300503789 FOYYRIPKKBWEQP-WMZOPIPTSA-N 449.552 1.573 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1300557733 WSXGGYYAXPJYGH-KRWDZBQOSA-N 429.546 1.798 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccnc(SC)c2)CC1 1300685440 NUFXXGFINIYZDP-QFIPXVFZSA-N 442.589 1.851 30 10 IDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCNS(C)(=O)=O)CC1 1300686203 YGSWGFDHFDUKLZ-UHFFFAOYSA-N 442.589 1.053 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300897145 OKNVKKAPSXGKDW-SXWKCWPCSA-N 447.580 1.970 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301185618 IKTVHXVRGSVVDQ-QGZVFWFLSA-N 438.598 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOCC1 1301568851 KZCZEUOCMACHDN-UHFFFAOYSA-N 444.355 1.484 30 10 IDEE CC(C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302628104 JGPDIIUCDYHWIE-ZJYNUGOYSA-N 427.509 1.129 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1304964081 IKIQMVQLQMZTNO-DHJNYMNESA-N 427.509 1.380 30 10 IDEE N#C[C@]12CN(C(=O)NC[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)C[C@H]1CS(=O)(=O)C2 1312491686 KKUUSSMZZPGTLS-XIGKFDRGSA-N 435.521 1.479 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 1319566771 NNKMIMMLMPHJIW-ZDUSSCGKSA-N 427.529 1.484 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2=CCCOC2)c1 1358900149 CDMZQDYGORWOGV-UHFFFAOYSA-N 436.516 1.819 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCc2cn[nH]c2)c1 1358902153 GIFWJQYIKKQCAN-UHFFFAOYSA-N 429.488 1.701 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1358959854 QXITVLRNDJCYJC-AWEZNQCLSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1358963055 BAPZICOUJDKYDQ-SFHVURJKSA-N 429.546 1.265 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1358965958 FJIXFMPUUASMJT-OXQOHEQNSA-N 428.558 1.959 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1359024879 XUFCUPHMIFPMCT-INIZCTEOSA-N 438.500 1.787 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2(O)CCC2)n1 1359028196 KITXJIWOQMRJQH-IBGZPJMESA-N 428.537 1.917 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)c2ccccc2)CC1 1359033424 BLQUWSSNKQNJGK-UHFFFAOYSA-N 438.557 1.513 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359035698 BQNWLVLIKOWYMV-QGZVFWFLSA-N 439.507 1.368 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359048645 XTVIMNRTHCVSAS-GOSISDBHSA-N 447.605 1.902 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1359070286 JOXQGOHEUBECCM-WMLDXEAASA-N 433.500 1.666 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C 1359133353 QGAKTNPFHJMCST-SQNIBIBYSA-N 441.598 1.829 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359183560 NWKYQLCLCAUKON-KGLIPLIRSA-N 433.600 1.114 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1359291510 SWYYVOKIAOOWQC-UHFFFAOYSA-N 446.943 1.508 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(N)=O)CC1 1359295992 SYLILNOETSBMLP-UHFFFAOYSA-N 432.912 1.611 30 10 IDEE CC(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359964559 YQFYLEMJWFTKNP-UHFFFAOYSA-N 446.577 1.961 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CNC(=O)CCC)C2)s1 1442869678 PIXKAFBCWNHNBJ-HNNXBMFYSA-N 427.592 1.910 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC[C@H]1C(=O)Nc2ccc(CC)cc21)c1cc[nH]n1 1444199555 MLNVLBMCTLWMSW-CQSZACIVSA-N 427.461 1.498 30 10 IDEE N#Cc1c(CCCNC(=O)NCCOC2CCOCC2)nn(-c2ccc(F)cc2)c1N 1471428835 AZKREYFYAAVDMK-UHFFFAOYSA-N 430.484 1.893 30 10 IDEE Cc1cc(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)nn1-c1cccc(C#N)c1 1471933153 NUHJQINPIDJRBL-UHFFFAOYSA-N 432.362 1.807 30 10 IDEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2C1 1474804024 YFCZVLUKEXIGOT-UHFFFAOYSA-N 431.543 1.430 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1504613250 KSYFGNPMJGBOOK-YQVWRLOYSA-N 442.495 1.770 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1507514461 CULIXYWHJHBTJK-IRXDYDNUSA-N 441.561 1.639 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507574055 LJXDNWMSYFMMIT-ROUUACIJSA-N 439.582 1.420 30 10 IDEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507585807 NKXUIRJIPHEZTP-UHFFFAOYSA-N 440.935 1.939 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1507634641 ZZYJTIHGFHPDDJ-UYAOXDASSA-N 443.573 1.523 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1507650880 WLCHVSVPWPEWHT-DENIHFKCSA-N 429.590 1.453 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CSCCS2)CC1 1507716684 SUACLMIKHOITME-MRXNPFEDSA-N 443.602 1.529 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)CC=C)CC1 1507732677 JHTCINTYKNBNDC-RTBURBONSA-N 449.621 1.553 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1507953180 DJRLKRFFOVMEJO-NJAFHUGGSA-N 439.582 1.581 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507969993 ILSDSKKJSVLIJG-NPPFBWRTSA-N 447.559 1.899 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1507998379 PNEGBPVQJHICKX-MOPGFXCFSA-N 427.505 1.846 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCO[C@@H](C)C2)C1 1508111130 WNBULVWWJYTZRJ-RBUKOAKNSA-N 434.585 1.699 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCOCC1 1508134193 BZBYUHLKYIVVIZ-UHFFFAOYSA-N 428.518 1.773 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1515971773 HHASWLINHRUPMU-LEWJYISDSA-N 436.532 1.923 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1518478867 FNDPZKMVYMPDRK-PKOBYXMFSA-N 426.521 1.327 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@@H]2CO)CCO1 1521136090 BMGPCHMITRQEHT-WOJBJXKFSA-N 425.537 1.230 30 10 IDEE C#CCN(C(=O)c1nn(C)c(C(F)(F)F)c1Br)[C@H]1CCS(=O)(=O)C1 1530298039 RIHUHSWXCDSWQI-QMMMGPOBSA-N 428.230 1.464 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1539024518 VTTINBLKOWPDMY-CQSZACIVSA-N 444.586 1.982 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OCC)CC1 1539116063 KEOJPECEKWGCLU-UHFFFAOYSA-N 449.515 1.884 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@@H]1OC 1539153719 JDCOUWJKMFVPJS-IRXDYDNUSA-N 446.577 1.668 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1539290370 GOXRGMZLQDHJBQ-UHFFFAOYSA-N 435.532 1.159 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1539296907 VSODGPBPRTWWPF-VQTJNVASSA-N 448.637 1.719 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc(Br)cn2)CC1 1539447791 WBZONHAALBZUFC-HNNXBMFYSA-N 434.342 1.196 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 1539474339 PCJSPEZPAHIULV-UHFFFAOYSA-N 428.924 1.653 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1 1539534229 OLFRYGHIHSZXTM-LJQANCHMSA-N 428.518 1.495 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539760048 SFXFOFNZIINLOE-XGHQBKJUSA-N 435.525 1.626 30 10 IDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540033527 KUNNNICHFPQPNQ-APWZRJJASA-N 438.532 1.992 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](COc2ccccc2)C1 1540868532 IQWUISURZYJIPC-SFHVURJKSA-N 435.488 1.322 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C1CCC2(CC1)OCCO2 1540873352 VYZBVGDMZVYAQU-UHFFFAOYSA-N 426.521 1.688 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1541513717 DAJZDHHVOKZWDR-QGZVFWFLSA-N 436.582 1.601 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)CCOC1 1541726350 YASZYHFSLFBUMW-DLBZAZTESA-N 448.421 1.439 30 10 IDEE CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1544403247 XOIAAJLEENRVDK-OOJJEUIESA-N 427.552 1.228 30 10 IDEE C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1544534939 NNCMSWWNQXJYPD-NCXUSEDFSA-N 432.569 1.789 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCC(C#N)CC1 1554510781 HQVXXJZNWXCSBH-UHFFFAOYSA-N 434.522 1.155 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1555690526 RSOWHTCAALQJKQ-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cn2)c1 1555793911 CSPOBPMUYNFYJD-QGZVFWFLSA-N 442.476 1.660 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1 1555811321 XYSLYKGJGXZIBI-QAPCUYQASA-N 438.554 1.796 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CCC4)[C@@H](F)C3)CC2)cc1 1556464466 UAWUVUZJFRIZOR-VQTJNVASSA-N 434.537 1.604 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)c2coc(CS(C)(=O)=O)n2)c(=O)c1C#N 1558973304 LTJXNXWIYNMTHV-UHFFFAOYSA-N 429.252 1.016 30 10 IDEE COC(=O)CCN(CC#N)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1560080430 ZVYVAOGMNLLJSH-MRXNPFEDSA-N 436.534 1.577 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1584296432 HTYOTAYIZOYGGU-KNQAVFIVSA-N 436.487 1.550 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCS(=O)(=O)CC1 1587600280 WUSOBYHHWRISMR-HNNXBMFYSA-N 440.533 1.204 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1588045934 UEWSKOAOMMBFRJ-INIZCTEOSA-N 437.591 1.026 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1588764609 AVIHRLNLRIJESZ-SFHVURJKSA-N 435.502 1.515 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1589530270 UKAQMZJYJPDWKX-HQRMLTQVSA-N 444.580 1.951 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1593689679 CZERQEXXHQFLOY-HZPDHXFCSA-N 427.571 1.365 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1594824557 LDQHSRZSNQOOQV-NRFANRHFSA-N 444.561 1.579 30 10 IDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1594923111 HZSFJDVKUBIUKS-INIZCTEOSA-N 427.505 1.833 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595522421 DGLZCGJPBDVIIA-UHFFFAOYSA-N 448.487 1.877 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1595745411 RRGOKSJQXYIMQF-UGKGYDQZSA-N 446.573 1.394 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1611308326 OATSYJMIWVLERS-OAGGEKHMSA-N 431.518 1.759 30 10 IDEE C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1611498312 AYLBIVYBRZHUEU-QAPCUYQASA-N 448.474 1.996 30 10 IDEE CN1C[C@@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)C1=O 1618463876 QTUXZJNXRKZRHW-SFTDATJTSA-N 441.561 1.878 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(Cl)cn2)C1 1620154328 BOVUDJCIPUDMER-KRWDZBQOSA-N 445.936 1.990 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N(CCO)CCOCC(F)(F)F)CC2=O)cc1Cl 1623373174 DVQJVLCLGMFEFV-CYBMUJFWSA-N 433.814 1.964 30 10 IDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CSCCSC1 1624061882 GMVKQKMDNAWXPU-OAHLLOKOSA-N 440.616 1.477 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)C1=O 1626972196 AEIFVJFWCBVZNT-OAHLLOKOSA-N 432.864 1.038 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 1627753177 XLPZMJQCFCWEKH-QYZOEREBSA-N 430.530 1.722 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)C1=O 1630642408 MKMLMHULMVLASF-HNNXBMFYSA-N 427.457 1.825 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1632199141 DFCLDKJPKOQWMY-KRWDZBQOSA-N 428.514 1.504 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nn[nH]c2C(=O)OCC)c1 1634383454 SWWBFTBZWZNIIF-MRXNPFEDSA-N 430.486 1.756 30 10 IDEE C[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1639961812 IFXOFRJOVDZUCG-CRAIPNDOSA-N 430.505 1.518 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)s1 1644919824 APLIILINELMHBE-XMDUPGNXSA-N 428.576 1.844 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)c1 1645427382 OREVDUMIBUMXHN-QGZVFWFLSA-N 435.546 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc21 1653072426 BZFRBPOGKKLHQW-HTAPYJJXSA-N 445.541 1.923 30 10 IDEE C[C@@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1655140939 FKEIGBREVXXTIW-QFIPXVFZSA-N 430.574 1.634 30 10 IDEE C#C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1659178375 RSHOWFZZGXPLGN-OAHLLOKOSA-N 425.938 1.645 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660309892 LEXJUBGWMQOFJD-FIKGOQFSSA-N 427.530 1.686 30 10 IDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1669662410 FYJTUXRQOHGDMH-BRWVUGGUSA-N 426.560 1.376 30 10 IDEE C#CCN(C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1677582867 ZTBBKIIPHBPNLJ-INIZCTEOSA-N 442.582 1.455 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1689831665 PBSACPFOPSGMEJ-IERDGZPVSA-N 432.546 1.840 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1689914046 ZFWSDVRYVWGOQN-QRWLVFNGSA-N 435.525 1.539 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(COC)CCC2)CC1 1690113520 LVZIFHHLKAZZRV-HSZRJFAPSA-N 431.581 1.891 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 1690543512 HAGFVMFYAFXLHP-LSDHHAIUSA-N 428.459 1.647 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690722402 HYHPOGRZQQSBGV-MRXNPFEDSA-N 442.549 1.138 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1692845491 GJDHUSQZNTWVBH-JRWGXLCNSA-N 446.515 1.920 30 10 IDEE CN(Cc1ncc(Cl)n1C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696722939 CGKNCEOBSQSZLS-VLGSPTGOSA-N 430.900 1.705 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705523843 ABUCGNQDCTVPHL-ROUUACIJSA-N 438.536 1.792 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)c1ccccc1 1705583479 ZBJNIKHUKFPAAY-MOPGFXCFSA-N 425.558 1.778 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCN(CC)CC2)CC1 1705639539 QMGUUKNTPWOGCJ-QFIPXVFZSA-N 443.640 1.345 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N2CCOCC2)CC1 1705643974 WNCZGMGZXDZZGJ-PWRODBHTSA-N 444.624 1.673 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2cccc(C(=O)NC)c2)CC1 1705644258 KGFZEJRGEDXERP-UHFFFAOYSA-N 436.560 1.970 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](COC)OC)CC1 1705649041 IEJHBIJYOWOFSC-GOSISDBHSA-N 441.532 1.581 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1705653406 GUFKBVYKYBTUDX-OAHLLOKOSA-N 427.596 1.262 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccco2)CCOC1 1706679573 KQBZQEUFFIWPTL-ORYQWCPZSA-N 431.493 1.548 30 10 IDEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 1706902758 DVUZWYVTHUUPHF-JOCHJYFZSA-N 436.472 1.556 30 10 IDEE C[C@@H]1CCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1708039930 AMBKOFWDDZWNFT-IERDGZPVSA-N 429.546 1.849 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CCOC1 1711622372 HNXPQGMRZUJSBK-FOIQADDNSA-N 433.534 1.492 30 10 IDEE COCCOc1ncccc1Cn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712583201 YCIVQNDVXKZLNT-UHFFFAOYSA-N 434.504 1.648 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCN2CCCO)CCO1 1712884132 HEHJBPIPIJOAJY-SJORKVTESA-N 446.502 1.723 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722353671 YXHVVMUXOHISOT-KRWDZBQOSA-N 425.518 1.391 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722367911 PBRSTLMLBCPALR-DLBZAZTESA-N 433.534 1.256 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722447283 HFFOSDOHQCNXFQ-AZUAARDMSA-N 442.564 1.006 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722452684 JFPIMVPNRYXCMC-HNNXBMFYSA-N 436.582 1.840 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(OCC(N)=O)CC1 1722461345 NUFYBXZKPANLBT-UHFFFAOYSA-N 449.527 1.984 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)c1cc[nH]n1 1722632859 KMSNUOQSXDMQIO-UHFFFAOYSA-N 433.314 1.821 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1722688627 HSEAIFUVJGZFOC-IBGZPJMESA-N 433.516 1.819 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722727419 IKXKKGYYDJVQFF-HZPDHXFCSA-N 436.538 1.458 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1723882632 DMZRDKDHBZNJDL-HNNXBMFYSA-N 428.522 1.368 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1727703260 JTFGREJMGCCJPJ-VTNFTYBJSA-N 441.536 1.552 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1729369217 GROYWXXNZSIBJW-ZWKOTPCHSA-N 445.545 1.779 30 10 IDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1729935535 AYZONXUHBDJDGO-UHFFFAOYSA-N 427.505 1.885 30 10 IDEE COC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1730586482 UPSKMDVYPWWSEY-RHSMWYFYSA-N 437.460 1.678 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCCS1(=O)=O 1730928749 AHJOBYAXKQOMJS-TWMKSMIVSA-N 425.555 1.708 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740622622 FFMIEPSBAGWNQI-CQSZACIVSA-N 447.483 1.241 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740626852 NPKKOYRBQQVRTO-RTBURBONSA-N 435.594 1.631 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1740729242 CTLUAKBCFXLJJP-OAQYLSRUSA-N 445.545 1.600 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740944120 UOAODRTXCAJPCE-WBVHZDCISA-N 430.534 1.096 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCOCC2)C1 1740962416 CMXXAACZGNRTHJ-UHFFFAOYSA-N 432.550 1.322 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1740962836 PZTDIQOULOIVSV-UHFFFAOYSA-N 448.575 1.816 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](COC(C)C)C1 1740991600 ADSKSYFQGBLYCN-IAGOWNOFSA-N 428.555 1.013 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740995415 LBPBVLFQNKBLDQ-IBGZPJMESA-N 447.653 1.650 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCCNS(C)(=O)=O 1747731527 VXIRTZWYMLXKTO-SFHVURJKSA-N 432.550 1.619 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1748672689 WTBWTYHMBSNMFB-KKUMJFAQSA-N 433.500 1.522 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)CN2CCOCC2)CC1 1748992942 KVRMQZFGSPQSCL-OAQYLSRUSA-N 436.604 1.901 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccccc2C)CC1 1748994855 UIRXPXOIFSXEDZ-UHFFFAOYSA-N 436.560 1.933 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)COC)CC1 1749003298 DVZVBZSRAYLRKG-VGOFRKELSA-N 433.553 1.179 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)NC)c2)C1 1749693685 LVYCGJJFCXLRQU-GOSISDBHSA-N 426.521 1.606 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)c1 1750193177 NCDVHHUTTASPHN-GOSISDBHSA-N 442.545 1.339 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1760250245 XPNJOFUVJYFUGL-RBUKOAKNSA-N 427.553 1.661 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nccs2)C1 1760272385 IOTLZNHJRXPUAD-OAHLLOKOSA-N 432.575 1.915 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1760339502 KRIOZHGMZVWWBC-GOSISDBHSA-N 425.580 1.586 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1760445839 XCMNZNBHNDUKIN-UHFFFAOYSA-N 431.516 1.870 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(CCC)C(=O)C1 1760526388 MRPPWVCBUYFNBF-UHFFFAOYSA-N 440.548 1.916 30 10 IDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1767287528 GMIYIDYCIYEDSU-UHFFFAOYSA-N 439.483 1.828 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1767558285 HIOIHDSSOLQVNC-JOCHJYFZSA-N 439.520 1.203 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1770340006 NYCLDEVQNZXSJY-MJGOQNOKSA-N 445.545 1.779 30 10 IDEE CS(=O)(=O)CCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771354121 GPZRULMCONCVIQ-KRWDZBQOSA-N 434.591 1.542 30 10 IDEE CN1CC[C@]2(C(=O)ON3C(=O)c4ccccc4C3=O)CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1772792014 JEQXSXUGWABEKH-FPTDNZKUSA-N 429.473 1.930 30 10 IDEE C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)[C@@]2(O)COP(=O)(O)O 1848440130 VDOLADXQHJJIQS-BULBTXNYSA-N 440.429 1.675 30 10 IDEE C#CC[C@@H](C)C(=O)N(c1ccccc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 1850378641 QYLKDLOVKVFLTQ-GOSISDBHSA-N 436.516 1.869 30 10 IDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)c(C)c1C 1855738171 RLNHNICTSPQLFY-MRXNPFEDSA-N 426.498 1.940 30 10 IDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN([C@H](C)CCC#N)CC2=O)c1 1856438634 GDDOKKVDWXYORH-IEBWSBKVSA-N 432.546 1.511 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1=O 1857148813 GBEZBUOFJAZYMJ-QGZVFWFLSA-N 428.855 1.702 30 10 IDEE C=CCNC(=O)[C@@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861612096 WKVFNQPDZYJHSM-GOEBONIOSA-N 433.530 1.366 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(NC(C)=O)cc2)[nH]1 1871481002 YCANWOLXQXLXAY-UHFFFAOYSA-N 427.509 1.595 30 10 IDEE C=C(CS(=O)(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)B1OC(C)(C)C(C)(C)O1 2247901355 JKFCBAMYBHYQID-NRFANRHFSA-N 436.383 1.730 30 10 IDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247916659 BUWCMSKBUUJNMN-UHFFFAOYSA-N 430.261 1.599 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248402900 CAICGGQQOSCRGT-UHFFFAOYSA-N 441.359 1.288 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251301724 ITDQVURVBNZLPK-CFRMROPGSA-N 446.375 1.618 30 10 IDEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255707543 XLFOVIDCUIBPCZ-CYBMUJFWSA-N 435.330 1.414 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2255832989 VNFCQOVJSCDTOJ-CABCVRRESA-N 434.346 1.988 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2255933790 SGPNAXORBPCEJJ-UHFFFAOYSA-N 444.362 1.889 30 10 IDEE COCCN(CCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267000000 RGKSBBZPNXSKPI-UHFFFAOYSA-N 449.357 1.994 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267163164 UTAXXQBFQFPYQI-OAHLLOKOSA-N 448.329 1.142 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267264312 PXBIWGBQTVHACG-FUHWJXTLSA-N 439.369 1.755 30 10 IDEE C=CC[C@]1(CO)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287710757 WSOHZWXKMRVIPV-SFTDATJTSA-N 438.521 1.991 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 2315536732 KWLNGTWSOACNQO-CQSZACIVSA-N 432.330 1.625 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2317606243 SYVDTNDFMUGXTE-ZDUSSCGKSA-N 436.318 1.045 30 10 IDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cn1 59913965 MXXSDBWQZNBAAX-AWQFTUOYSA-N 429.510 1.320 30 10 IDEE CC(=O)O[C@@H]1[C@H](COP(=O)(OCCC#N)OCCC#N)O[C@H]2COC(C)(C)O[C@H]21 306147375 YDWCHPGRHWOJBO-CAOSSQGBSA-N 432.366 1.822 30 10 IDEE in-vitro Cc1c(C#N)c(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)n(-c2ccc(F)cc2)c1C 434776223 MLUPFHMTYYCHLZ-JOCHJYFZSA-N 438.463 1.717 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 438056209 QPSIZEIECWYLGL-MAUKXSAKSA-N 438.506 1.592 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@@H]1CCCO1 447270168 GEBBOIRFVFWZMP-LBPRGKRZSA-N 437.974 1.833 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 517511138 RMDNTSWXTZOOKZ-UHFFFAOYSA-N 448.589 1.167 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CC1 524517570 MODRLDQBGBLBNO-HXUWFJFHSA-N 449.983 1.343 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 542409230 UCFSUNOFXFSIMF-WOJBJXKFSA-N 432.484 1.943 30 10 IDEE C=CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 558419989 ZLDPACQLRYQYEK-GOEBONIOSA-N 425.507 1.319 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1 603786765 MKDFYVGWMJCQJW-UHFFFAOYSA-N 441.459 1.443 30 10 IDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OC(F)(F)O2 730138365 LQOPTTJCKATUSC-HNNXBMFYSA-N 438.456 1.641 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c(C)c1 730142926 QNCQEXFZOBAXGK-GOSISDBHSA-N 447.605 1.827 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3cccc(Br)c3C2)c1=O 735665739 GWLDMPCNMFPIBF-UHFFFAOYSA-N 433.306 1.322 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C1C[C@H]2COC[C@@H](C1)C2=O 740401682 YQRFMDPKBVBRBK-ALOPSCKCSA-N 431.489 1.737 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(CC(C)(C)CN(C)C)c1=O 758067607 GZORHYPSCWBXSD-UHFFFAOYSA-N 425.514 1.741 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc3c(c2)OCO3)C1 760323812 QYWZNFCUUDPJBQ-CZUORRHYSA-N 447.517 1.287 30 10 IDEE COC(=O)c1ccc([C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C(F)(F)F)cc1 776021210 YKUMDUFEJDUPOO-DPEHCCBOSA-N 440.378 1.902 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)ccc1F 787692492 MDSUNXFGNOAZLT-LFJOCZFFSA-N 432.517 1.529 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](O)c2ccccc2)cc1Br 788443107 SQPHXGROHMKMIN-GJZGRUSLSA-N 425.260 1.786 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)n1 788819841 MGRKLQHTRCZYIF-UHFFFAOYSA-N 436.509 1.631 30 10 IDEE COC(=O)[C@@H](OC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(C#N)cc1 795839843 MIUSLMMNKBORQK-QFBILLFUSA-N 438.358 1.947 30 10 IDEE CC[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 797815374 PUOVXLUQXJICHV-XYPHTWIQSA-N 431.562 1.583 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCC3CCC(C#N)CC3)ncnc1-2 799580047 GCWVLRXPZRVFGB-UHFFFAOYSA-N 435.330 1.540 30 10 IDEE COc1ccc(CN2CC[C@H](Nc3ccc(S(N)(=O)=O)cc3C#N)C2=O)c(OC)c1 804855292 PQRYDBYALQHXJT-SFHVURJKSA-N 430.486 1.436 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 809915614 ZKPPTTBIYVEVBD-LJQANCHMSA-N 433.516 1.967 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(F)F)cn1 814710294 PFDOLQLXSOVEHZ-ZDUSSCGKSA-N 429.493 1.745 30 10 IDEE Cc1ccc(O[C@H]2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 858064085 KPCBVNUFMGBLRF-INIZCTEOSA-N 428.514 1.889 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C(C)C)CC1 913410980 WEVFLVXYBIDESS-QGZVFWFLSA-N 434.562 1.467 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)Cc1ccccc1 916807981 VXXHZMVCRANQDM-KRWDZBQOSA-N 449.554 1.930 30 10 IDEE Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 917750760 VJSDMOBEQRLFFP-ZHZULCJRSA-N 445.954 1.996 30 10 IDEE C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 919675521 KDKOXAMGUTYCNV-ZSOIEALJSA-N 434.547 1.096 30 10 IDEE COc1cc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc(OC)c1 1083936150 WSFWNVWWLGHCQS-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE COc1ccccc1CNC(=O)CCSc1nnc(NN=Cc2cccc(O)c2)n1N 1084279301 BFKSKKDKGRESFL-UHFFFAOYSA-N 441.517 1.951 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2=O)cc1Cl 1180028424 QOXYMEJDVIBWEM-KBPBESRZSA-N 426.864 1.455 30 10 IDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1213917152 DINDZXUWWDRMDR-MRXNPFEDSA-N 430.571 1.815 30 10 IDEE COCCOCCN1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1226084288 ZQWVMGPVTCRGDB-UHFFFAOYSA-N 426.521 1.449 30 10 IDEE Cn1cc(I)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 1264895262 QBLWQAMNIBDESV-UHFFFAOYSA-N 439.232 1.998 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286353103 QVZRVNFJMRWRGU-DLBZAZTESA-N 446.552 1.667 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389486 KXRFHOCLNUEXAX-RBUKOAKNSA-N 441.557 1.489 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1286425898 BIPUTMUTTDBEMX-UHFFFAOYSA-N 444.524 1.863 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCCN(C)C 1286517069 OMGBHPSNQYCJLW-JOCHJYFZSA-N 435.536 1.491 30 10 IDEE C=C(C)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286598914 GUQDOCNVNFUYMY-OAQYLSRUSA-N 429.525 1.632 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1286599842 DJSTYNAMINOLRK-MRXNPFEDSA-N 428.603 1.402 30 10 IDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C(C)=O)CC1)C1CC1 1286739643 JOPNHQHBNVPXJF-UHFFFAOYSA-N 426.569 1.459 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 1286889832 MWGFTJDXPVZKKS-ROUUACIJSA-N 437.548 1.594 30 10 IDEE CC(C)(C)[C@@H]1OCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1287018909 GIBWABPQOXRVAZ-SQGPQFPESA-N 430.553 1.971 30 10 IDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 1293713366 VKDJSPWTCPLZJW-UHFFFAOYSA-N 425.938 1.142 30 10 IDEE C=CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1299259904 PHPFZPFOOASAIW-KRWDZBQOSA-N 436.555 1.672 30 10 IDEE CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1299314302 CLVYEIBCQDEBTO-UHFFFAOYSA-N 445.593 1.614 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC1(C#N)CCCC1 1300230105 XLDMRCSLGWFREZ-UHFFFAOYSA-N 434.562 1.835 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300408812 CJLWZLCNCSILSA-RTWAWAEBSA-N 436.560 1.934 30 10 IDEE C#CCN(c1nnc(C)n1CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300483738 LMKMCJZVEMKZEE-OAHLLOKOSA-N 425.555 1.517 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1300486739 AAVOQONJJOYONN-QGZVFWFLSA-N 427.534 1.197 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccsc1)N(C)C 1300651043 ZRAPIJDHLGDYMX-GOSISDBHSA-N 430.578 1.965 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1300671675 MFPIPCZREZWVBX-GOSISDBHSA-N 443.573 1.588 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2n[nH]c(C)n2)CC1 1300710094 RTXCDCINFGWMAF-UHFFFAOYSA-N 436.520 1.290 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1300725655 IYWVPOSJFAMMQU-FZEVHQGJSA-N 447.605 1.439 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300763347 USWNDHNMDJTPIC-KRWDZBQOSA-N 448.593 1.059 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301041260 JSHKOLQLBHJUBM-NUEKZKHPSA-N 429.974 1.090 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1301135076 GIWLXDLGHPWYJC-UHFFFAOYSA-N 431.585 1.375 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)CCO1 1303003359 GPKHGAPFVPQYIX-CABCVRRESA-N 437.472 1.430 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1303483448 JHARCDJEXAQSPK-ZSVKVYQISA-N 444.536 1.691 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1303639957 HJQPNWQGBZEKMU-FEDOZNFBSA-N 449.602 1.845 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(C(C)(C)C)no2)CCOC1 1314139641 IXJFBPMIIWCRCB-IERDGZPVSA-N 430.509 1.993 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 1316227727 RFZVRIOIQWGPAA-AEFFLSMTSA-N 447.561 1.992 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1316357467 TWENSEKHSUWZTE-UHFFFAOYSA-N 432.550 1.497 30 10 IDEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1316474367 HGDDPQHZHBDZNI-UHFFFAOYSA-N 427.578 1.780 30 10 IDEE C=CCn1cc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)nn1 1353107690 OAFOCFNTEJAFTF-UHFFFAOYSA-N 432.488 1.398 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358977390 LGXYRTGDHVEWBN-DLBZAZTESA-N 428.537 1.805 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1358993932 ADAZAHWXPWGZAI-GFCCVEGCSA-N 435.294 1.631 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCN(C)C1 1359019711 DTXWAMNAXNFGCD-HSZRJFAPSA-N 435.532 1.488 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)CCOC)CC1 1359039098 WXYAYGNRKGGRLB-JOCHJYFZSA-N 431.512 1.539 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)C(C)C)CC1 1359039325 DRPXDUTWHCCXAI-UHFFFAOYSA-N 428.512 1.524 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1359228952 UJPFJOLBFLJWJO-UHFFFAOYSA-N 430.557 1.584 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359331389 XBIPPYONKXZDET-DLBZAZTESA-N 435.550 1.489 30 10 IDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1360149621 WRLPRWFVWBYXSS-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)CCc2cccc(C#N)c2)cc1 1438642615 KJLGIASNRHTGLK-UHFFFAOYSA-N 428.514 1.838 30 10 IDEE COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1438824042 WDANBQZHMYHEIO-DYESRHJHSA-N 426.558 1.769 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1441243600 XMXGGLWSUHIMOG-QGZVFWFLSA-N 438.569 1.962 30 10 IDEE C=CCN(C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1442029829 BUQFAORUCRHINC-OAHLLOKOSA-N 426.539 1.613 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NOc1cccc(C#N)c1 1454684623 YZCYHHWCNFJYMK-UHFFFAOYSA-N 444.513 1.617 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@@]3(CO)C2)n(-c2ccc(F)cc2)c1C 1460849754 NWWQJDFRCMPQIL-QHCPKHFHSA-N 441.507 1.422 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)cc1 1469404137 YWURMLNHEHWPIB-GOSISDBHSA-N 447.532 1.933 30 10 IDEE CN1C[C@@]2(C)CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@]2(C)C1 1470676260 WYNCCEGZIBAKPZ-VXKWHMMOSA-N 430.574 1.759 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1nc(C#N)cs1 1472147043 WELPOUWJWLMOLI-CQSZACIVSA-N 440.934 1.518 30 10 IDEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)c2ccc(C#N)nc2)cc1Br 1475306639 BCPMYICWAWKUQM-CYBMUJFWSA-N 440.319 1.854 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1494721809 MNOJDDDLBNPIKZ-MODMUFLJSA-N 441.536 1.252 30 10 IDEE CCN1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1502298834 AFKREZOWHHBQGE-IAGOWNOFSA-N 443.577 1.873 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1503254420 IEBBKNAZHCFUBV-GOSISDBHSA-N 444.561 1.556 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1503364380 FCFBIXWLQRSELS-UHFFFAOYSA-N 445.531 1.802 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1505058650 QDQGIMZLZBQDLH-JTAQYXEDSA-N 440.548 1.577 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1507544775 BZRYJHLIUBOFOK-MRXNPFEDSA-N 448.545 1.263 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCOC2)c1 1507550281 WITDHSFVTOCLAL-XMMPIXPASA-N 446.511 1.856 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2CCN(C(C)=O)CC2)CC1 1507719736 BAUJNQOZXUEDRU-UHFFFAOYSA-N 436.560 1.967 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1507720709 FMJJGWRCACFLME-MOPGFXCFSA-N 434.610 1.361 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1507729109 DVVXMROAEWKGIP-SFHVURJKSA-N 438.567 1.978 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1507737660 BKYSFRWBRRDOEO-UHFFFAOYSA-N 441.624 1.537 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507758590 PXPVLDUPQNZQJP-DYESRHJHSA-N 433.578 1.496 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507831753 DHQDHGZSDMDRPA-ZBFHGGJFSA-N 435.554 1.331 30 10 IDEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507879059 PVUOLSPBLKIRBT-NRFANRHFSA-N 448.545 1.668 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507954431 NOZCXTUVFMSGGW-GOSISDBHSA-N 441.561 1.740 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)O[C@@]3(CCOC3)C2)nnc1C(C)(C)C 1508148027 FDJHYTYQSLFIGD-FQEVSTJZSA-N 426.583 1.951 30 10 IDEE CC1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1510318537 JWNRERSFZKRBMO-ZFDMEJTGSA-N 448.549 1.085 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1517397169 GCOLDPQZAGXWBX-MRXNPFEDSA-N 426.502 1.464 30 10 IDEE COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1518847061 FZZWQQVOMRTRQH-IBGZPJMESA-N 438.532 1.928 30 10 IDEE C#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)cc1 1526405017 UDSPYQAFZNJLSG-UHFFFAOYSA-N 444.509 1.636 30 10 IDEE C=CCOCCCNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1529056461 XUJKUDAMLGFHJL-UHFFFAOYSA-N 447.351 1.793 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1539030316 QCAMCVZJOTVFNR-GOSISDBHSA-N 431.562 1.967 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539215966 MDHSGLKLETYGGO-MRXNPFEDSA-N 428.543 1.666 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539271468 BROSDVZIKNXFCA-FPOVZHCZSA-N 446.534 1.683 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)c1ccccc1 1539765937 LCENEPZMGSTTDG-RYQLBKOJSA-N 444.561 1.317 30 10 IDEE CN(C)S(=O)(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(F)(F)F 1539839162 PEQFZDICMCGLBN-LBPRGKRZSA-N 442.257 1.802 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nnn(C)n2)CC1 1539877945 LRYYKLZUGMLYDP-UHFFFAOYSA-N 428.522 1.323 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)F)CC1 1540866760 ZBWLEFDKZPLGRM-UHFFFAOYSA-N 425.871 1.683 30 10 IDEE C[C@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1541954255 FXLYSYSMZLUOJT-XOBRGWDASA-N 439.501 1.623 30 10 IDEE COc1ccc(-c2nc(CCNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)co2)cc1 1542652866 RCVIZHGCBDFQBV-UHFFFAOYSA-N 440.481 1.748 30 10 IDEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 1545289981 RPWYWUKJSBZECY-INIZCTEOSA-N 442.520 1.889 30 10 IDEE CC(C)OCCOC[C@@H](O)CN(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1545327438 NOCHVADMQQKVHA-IBGZPJMESA-N 426.554 1.898 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)s1 1545857709 BZRQIANKFJJPPA-LBPRGKRZSA-N 433.552 1.716 30 10 IDEE COCCOCc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555708613 DSOYDTYCABPRDF-RBUKOAKNSA-N 440.504 1.169 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOCC1CCOCC1 1555753912 YEWCWHBAZVYZRL-UFYCRDLUSA-N 449.552 1.564 30 10 IDEE Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558644076 UIFOMNRWJFCNNE-KPZWWZAWSA-N 440.547 1.487 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H]2[C@H]1CCCN2CCO 1558701909 IDTAHCQIVSEDOV-RTBURBONSA-N 448.589 1.343 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1565156034 AEDVEXITKRPEJP-KRWDZBQOSA-N 437.338 1.753 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1587620748 JIHQGTRWBLGSFO-HNNXBMFYSA-N 431.504 1.411 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588055144 SJJCGTFFDSUTQY-MKXGPGLRSA-N 436.578 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCS(=O)(=O)CC1 1588099757 YBYCYGXVKBPKLK-UHFFFAOYSA-N 442.541 1.860 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1588134114 SHMZYTJUSZQYNV-GOSISDBHSA-N 442.564 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@@H]1OC 1588218814 DEOWFNKPSZQNQD-LPHOPBHVSA-N 425.489 1.520 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@@H]1C 1588459346 TTZMAMRWHXTXJO-HXOBKFHXSA-N 441.507 1.833 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCNS(=O)(=O)CC)CC1 1588791182 OQWQFJPPHHMMLB-UHFFFAOYSA-N 430.578 1.338 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1594732267 BCEJWTYPCHVNFA-LJQANCHMSA-N 437.610 1.695 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC)C1 1595722982 PNWOSGACHSUCLQ-MSOLQXFVSA-N 447.561 1.804 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)CC1 1596184894 XHCVJICMQLYIBM-UHFFFAOYSA-N 444.561 1.700 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCN1C(=O)CNC1=O 1616918890 VQDSTLHXTKBJJI-GOSISDBHSA-N 441.488 1.451 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)n1 1618759541 QOBVMOZKKPLFSL-UHFFFAOYSA-N 430.509 1.563 30 10 IDEE COCCCN(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1619836703 LMPGTRHROMPEKC-XLIONFOSSA-N 442.520 1.488 30 10 IDEE COCCN(C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1619864547 UOZRVLRPMZNFMN-ZZEZOPTASA-N 426.477 1.563 30 10 IDEE COc1cccc([C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2cc(F)ccc2OC)c1 1621776939 CPATXBIBOGPEIQ-HXUWFJFHSA-N 438.415 1.883 30 10 IDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 1622395671 GOEAXVIRSZWZTG-CYBMUJFWSA-N 442.335 1.443 30 10 IDEE C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)N1C(=O)Cn1cc(C#N)c(O)nc1=O 1625533745 YBTFVBYYWGXTNF-BETUJISGSA-N 435.406 1.965 30 10 IDEE N#CC[C@@H](NC(=O)c1cc(I)ccc1-n1cnnn1)C(F)(F)F 1626359419 KSUSOJMEVNSUCI-SNVBAGLBSA-N 436.135 1.841 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1628385737 CGDQOZUBLHZEBU-IBOXJLQUSA-N 434.493 1.045 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCn2cc(Br)ccc2=O)c1 1628665240 SHNRNBGMWYPYDU-UHFFFAOYSA-N 437.315 1.838 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1630034806 WETBRCMVRDUYAD-UHFFFAOYSA-N 442.335 1.587 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)cc(Br)c2N)CC1 1632623607 GHAIVUWEFLSAGD-UHFFFAOYSA-N 427.730 1.582 30 10 IDEE CCCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CC(=O)N(C)C1=O 1633775005 LWNORBIGFJEVKL-MRXNPFEDSA-N 433.306 1.753 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634584736 SXQTXGIJMMAAMU-KURKYZTESA-N 428.489 1.458 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1636860698 HUBDBGIQGDPXHW-GOSISDBHSA-N 429.498 1.701 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)C1 1638397510 JNVTXGXTFZCGHA-IEBWSBKVSA-N 445.568 1.747 30 10 IDEE C[C@@H](CC(=O)Nc1ccc2c(c1)CCN(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 1640959199 ITDRRIPOWYBENE-ZDUSSCGKSA-N 426.498 1.771 30 10 IDEE Cc1ccc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)cc1S(=O)(=O)NCC#N 1641537910 VDJIBWWFCSYXEF-UHFFFAOYSA-N 427.548 1.274 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2OC)CC1 1643372249 CMJPGGSVYSKCKL-UHFFFAOYSA-N 428.514 1.664 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c1 1648259556 PUVGSYGZEWHAQE-YZGWKJHDSA-N 426.517 1.448 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1648937221 ABFYWHNCDJYUBX-UHFFFAOYSA-N 441.488 1.475 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(F)(F)F 1651372792 YTVZAKNGFSKONF-CHWSQXEVSA-N 447.435 1.315 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC[C@H](C#N)C3)CC2)cc1 1651576834 DRNWKSWJRGMSMY-QGZVFWFLSA-N 448.545 1.070 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1654604202 PGUVEMLJSPZHMP-MLHJIOFPSA-N 449.552 1.509 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1665159795 PNXRFUVAXVQDPS-UHFFFAOYSA-N 426.560 1.400 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 1673398756 QSTRWWGFVGBAQB-IBGZPJMESA-N 441.575 1.926 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1677974050 JMVMYEFTAHSXNQ-UHFFFAOYSA-N 429.521 1.107 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1684226782 PGODDLGSKBTTGV-JOCHJYFZSA-N 433.560 1.601 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1690021327 QGXMVZDGSBYAJA-DQRAZIAOSA-N 432.459 1.607 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1690053813 IZLSZDNLMIJAEE-INIZCTEOSA-N 445.570 1.167 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(=O)NC2CC2)CC1 1690117315 CSRUKCFCMMERNO-UHFFFAOYSA-N 427.940 1.808 30 10 IDEE CC1(C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1692873183 OZUJUHILAPKRFN-VXPUYCOJSA-N 437.504 1.406 30 10 IDEE CO[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697661073 VMVCOVNICXZCSQ-YLEKHRKWSA-N 430.509 1.661 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CCO1 1698492470 CPRBDPVLZNYDSM-XJKSGUPXSA-N 434.859 1.829 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1705559709 AUFMUSDERRGBRX-UWJYYQICSA-N 436.578 1.747 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1705571191 WOGLXMBYVUIFCY-GOSISDBHSA-N 432.546 1.541 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1705582517 CNSRJOWYTWJXQO-HXUWFJFHSA-N 441.557 1.235 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705658683 XLNUWQJRRDBIMT-ZDUSSCGKSA-N 439.467 1.606 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)CC1 1705700710 XNIVMOXSSKTVCE-BJLQDIEVSA-N 432.569 1.369 30 10 IDEE CC(C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1706634923 BPXIAMZKPUMCQF-LJQANCHMSA-N 437.548 1.895 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710915933 OXPNSJDNIBMJCQ-FZEVHQGJSA-N 443.577 1.534 30 10 IDEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCOC4)n3CCOCCCO)CCO2)c1 1712879392 YRUSKWXBWGJHGA-WOJBJXKFSA-N 427.505 1.631 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1722345143 WYQBLVKJPMZYIK-LEWJYISDSA-N 435.594 1.208 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)N1CCOCC1 1722349743 ZEFSOXNYYOMJHD-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1722363615 ASHUBIWZWUKLBQ-VQTJNVASSA-N 442.589 1.375 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1722368509 RLBIFSGBHZLDSD-QGZVFWFLSA-N 440.529 1.928 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@H]1C 1722374720 CKNGVCKUWNJSNH-VGSWGCGISA-N 426.542 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1OC 1722393259 XMDHCZIXVSNDSE-TZIWHRDSSA-N 446.515 1.435 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)OCC)CC1 1722435896 QSOWSKBTGOXSDS-UHFFFAOYSA-N 435.536 1.491 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722559203 NWKNQNASQBJKDA-ZNMIVQPWSA-N 438.916 1.227 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@H]1COc2ccccc2O1 1722737061 RLEMYDCXPADCNL-QGZVFWFLSA-N 430.490 1.869 30 10 IDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1)OC 1727251951 CQAIPIDAJLRJMN-LJQANCHMSA-N 426.521 1.973 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H]1C 1728550877 LKARVUJXAYBWDN-OWCLPIDISA-N 432.550 1.612 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCNC(=O)Cc2cccc(F)c2)CCO1 1731188005 AUFUPYFIVLLJIE-IBGZPJMESA-N 435.463 1.567 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1740542766 BQUVIPUSMQNYBH-BQHWHHKNSA-N 448.483 1.701 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1740548916 CFRGRDDVXJOKDH-CRAIPNDOSA-N 430.530 1.732 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc2ccccc2c1C 1740610799 LQWPFSKGVWGMJM-IBGZPJMESA-N 443.529 1.783 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740623764 AJSSMIVGMUKLLD-WOJBJXKFSA-N 433.622 1.979 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1740644384 DHVWCUBZPOMEIR-IXFSTUDKSA-N 443.548 1.927 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1740645724 KVKMFFQTXRUJJV-AWEZNQCLSA-N 431.547 1.109 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1CCNS(C)(=O)=O 1740677861 TUJJIULBZVQVGB-UHFFFAOYSA-N 428.493 1.668 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(=C)Cl)CC1 1740697435 DTVZJGANGRWAMK-UHFFFAOYSA-N 448.980 1.703 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(C(C)=O)CC2)CC1 1740697951 JVMJOJJZIKCWCK-UHFFFAOYSA-N 426.590 1.944 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1740783771 VSQYKTFMIODTSL-UHFFFAOYSA-N 429.613 1.971 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740958438 PBJGYPHKJBUULT-SFHVURJKSA-N 445.568 1.550 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)[C@H]1C 1740968778 OOCAPTGHZLLWHF-QGZVFWFLSA-N 438.532 1.794 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C)CC1 1740990313 QGXQFLFHIOIHIL-UHFFFAOYSA-N 442.549 1.299 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1741391461 IJOLVQIMFZWBPS-MMYRVIJDSA-N 427.509 1.380 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1741729099 MTJIFDWYEJVXJN-ZHRRBRCNSA-N 442.520 1.923 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1743362992 KZEMOLMSAVQWMZ-YJBOKZPZSA-N 427.465 1.303 30 10 IDEE CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1745852595 NXLGXTRDDIUKCH-UHFFFAOYSA-N 444.561 1.640 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@H]1O 1748333977 QSILQXLAODYQOL-QZTJIDSGSA-N 440.504 1.045 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCC 1748646700 BWPJNPAPEDLITG-AWEZNQCLSA-N 431.566 1.531 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1748697022 ADRVUZLZPRGXAY-UHFFFAOYSA-N 425.537 1.936 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1748847153 OZCUANPIXDOZAO-HNNXBMFYSA-N 436.459 1.913 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)[C@H](C)CC)CC1 1748972080 BTDQHMIDESAORK-VGSWGCGISA-N 425.537 1.478 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cnnn2C)CC1 1748983044 HHFOAOKOXRKBEN-UHFFFAOYSA-N 426.912 1.539 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1748984461 RRKUJQCRFDRKDN-UHFFFAOYSA-N 438.557 1.491 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1749126533 DGLHCMBMIDGGKF-UWVAXJGDSA-N 430.553 1.659 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749454475 HRUBMOHVJBBXER-KRWDZBQOSA-N 442.524 1.038 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1749599713 JEYYMNPQVGFRMY-IBGZPJMESA-N 443.504 1.288 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](COC)C1 1749660015 MBRVCWSQPIOXHJ-MRXNPFEDSA-N 431.493 1.116 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749671880 MGEJFFCKZOEAIG-JKSUJKDBSA-N 433.415 1.563 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1749683923 KHDHZDKINLWFDW-QGZVFWFLSA-N 440.529 1.972 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC(F)F 1760103106 YIVNYHBTLMXAHM-CQSZACIVSA-N 441.504 1.935 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1760180451 FRLGHJHGAALWFI-IEBWSBKVSA-N 427.530 1.266 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760372583 ONMJZSWDKHQHJE-HNAYVOBHSA-N 444.971 1.867 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760526624 QUVNPUAUCWLSGT-QFIPXVFZSA-N 426.521 1.430 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(O)CCOCC2)C1 1760534610 CHLDFJIIFQTNTO-QGZVFWFLSA-N 442.520 1.638 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCC)CC1 1760554001 ODDAQEXIWUPCEE-QGZVFWFLSA-N 438.598 1.141 30 10 IDEE Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1762249926 COVQOQSAZNRNBF-BZNIZROVSA-N 427.531 1.452 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1765319914 UONQPAPQHPSWJX-NQSVHTAZSA-N 430.509 1.660 30 10 IDEE CCN1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)CC1 1765509161 YKTMKZMFOINWFG-OZIGNCPNSA-N 449.575 1.470 30 10 IDEE CCN1CCN(CCCCn2c(C(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1767149582 BASUULCAUGNQDU-NRFANRHFSA-N 428.629 1.996 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1cccc(C#N)c1 1767853489 CEWNHYWYRVCJQS-UHFFFAOYSA-N 445.574 1.691 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(N)=O)cc1 1769993810 CUFIDQZDLOUDHQ-XOBRGWDASA-N 431.472 1.983 30 10 IDEE C[C@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)n1nc(-c2ccc(F)cc2)ccc1=O 1849829378 YQOFYHSSRNFDRN-CQSZACIVSA-N 433.447 1.619 30 10 IDEE Cn1c(N2CCN(C(=O)c3cccc(-c4ccc(C#N)cc4)c3)CC2)cc(=O)n(C)c1=O 1851789382 LRMWDEKOQFHMQQ-UHFFFAOYSA-N 429.480 1.585 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1852890167 ODYDFFRVRVYTQB-CQSZACIVSA-N 434.946 1.965 30 10 IDEE NC(=NOCCC(=O)N1CCN(Cc2nncn2C2CCCC2)CC1)c1ccncc1 1853559478 QESZTOKHRVUBGX-UHFFFAOYSA-N 426.525 1.160 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2C[C@H](C)O)cc(OC)c1O 1862565360 VSZVKHHNJOHDBU-VOJFVSQTSA-N 428.441 1.951 30 10 IDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(C(=O)OCC)CC2)nn1C 1870072823 PLXBLTBLWYTECB-UHFFFAOYSA-N 444.492 1.676 30 10 IDEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870515362 ULFLRGVFBWOUGY-UHFFFAOYSA-N 448.564 1.946 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870559835 AXEAGUXNRBLBRA-IRXDYDNUSA-N 445.541 1.165 30 10 IDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711149 CHMDKOIXNZSYQO-UHFFFAOYSA-N 426.477 1.171 30 10 IDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21 1875231301 IHHFQTAWVOPLJQ-HXUWFJFHSA-N 436.516 1.854 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 2006264627 CJEFAOKQFIUOCG-UHFFFAOYSA-N 427.361 1.919 30 10 IDEE CC(C)(C#CC(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1)NC(=O)OC(C)(C)C 2023912076 CSMWQNJTGAPDHW-OAQYLSRUSA-N 439.509 1.874 30 10 IDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243020267 HCOQKEXGCMFCLQ-CQSZACIVSA-N 431.530 1.210 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390531 XGIVGRJWIMWZPX-LLVKDONJSA-N 427.332 1.058 30 10 IDEE Cn1ncc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)c1B1OC(C)(C)C(C)(C)O1 2255544641 CHTMZMDYIQLXKV-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCCNC(=O)OC(C)(C)C 2255615200 PMAMXFFSZRHHBE-UHFFFAOYSA-N 438.334 1.778 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255670267 WODARPMELOYJQR-QLPKVWCKSA-N 431.342 1.919 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255830402 FQPIPNAFFUZMAF-NSHDSACASA-N 430.236 1.240 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2256067532 QBAVTUWBMMELAW-UONOGXRCSA-N 432.330 1.904 30 10 IDEE COC[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2256626975 QAWFTZHAZJJVIC-OAQYLSRUSA-N 438.330 1.390 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2[C@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130259 MEWXSDCOECMTKN-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@H]1CNC(=O)OC(C)(C)C 2267459718 FLKQIFSWKZIZID-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(B2OC(C)(C)C(C)(C)O2)n1 2267526158 NNZCJEVQTQWTOC-SFHVURJKSA-N 440.353 1.350 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2267543072 BFMBDSGWHBJLBE-IIAWOOMASA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2267597392 PWSGXVUGLPLLQR-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE C=CCN(CC(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270533861 LCKWLTBPBDGRTE-CQSZACIVSA-N 438.424 1.835 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2337184493 QTPYYFLYDBHLFE-ZNMIVQPWSA-N 446.357 1.847 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCC[C@H](C(=O)OCC)C3)cc2C1=O 16281196 HXVZXYPFELJHES-HNNXBMFYSA-N 428.441 1.427 30 10 IDEE C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 96966339 UQMXODNAHGWSNG-AWEZNQCLSA-N 432.468 1.772 30 10 IDEE CN[C@@](C#N)(Cn1cnc(I)c1I)C1CC1 304278515 FBYYPPAOFGWAKQ-JTQLQIEISA-N 442.042 1.984 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)C2=O)cc1 428486657 XHAUNKVIUDGJEQ-SFHVURJKSA-N 447.499 1.713 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1Cc1ccon1 447787032 IPSBHJAETAZWOT-UHFFFAOYSA-N 445.504 1.860 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 461841162 VSJQBOUATOSUJH-DLBZAZTESA-N 425.555 1.359 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1S(=O)(=O)NCC#N 467750651 AMNLSFGLLSSPEP-HNNXBMFYSA-N 433.921 1.854 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC1 469828685 DLMIYMNITGFROL-QMTMVMCOSA-N 438.488 1.041 30 10 IDEE C=CCn1c(O)nnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 470830867 KCMHCGDIENSILS-UHFFFAOYSA-N 442.501 1.119 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 480970528 LFWAJFKWYQYJRE-ZDUSSCGKSA-N 440.547 1.450 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C2CCCCC2)cc1 484380690 FMARRAHVOYIJQI-NRFANRHFSA-N 437.562 1.879 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CSCC(=O)Nc2cccc(Br)c2)CC1 503616924 WELRHMLRBAQKJQ-UHFFFAOYSA-N 439.335 1.705 30 10 IDEE Cc1cc(N2C[C@@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC2=O)ccc1Br 503626605 HOBSNVQDTJTXQQ-AWEZNQCLSA-N 433.306 1.695 30 10 IDEE Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 507077172 GKAYZNVMYNMMJA-SFHVURJKSA-N 441.528 1.662 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 508679627 HONPDNLHBZVRQC-UHFFFAOYSA-N 442.476 1.935 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2n(c1C#N)CCS2 522817486 BMRALDWQJNJKSO-UHFFFAOYSA-N 433.515 1.442 30 10 IDEE Cc1noc(CN2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCOC3)CC2)n1 550015915 WLGNAKSPOQSFRD-SFHVURJKSA-N 434.504 1.867 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCOC2)CC1 576414201 IYQGHKZAFKYLKY-IBGZPJMESA-N 442.539 1.469 30 10 IDEE CSc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 603799713 SANXDRHAAFOLES-MRXNPFEDSA-N 443.594 1.838 30 10 IDEE CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 604022472 BJXLNHMUZWYREZ-UHFFFAOYSA-N 425.557 1.877 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccnn3)CC2)cc1 726074330 QZQOTPKAFZKPNM-LYBHJNIJSA-N 443.533 1.644 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCc2c(C)nn(C)c2C)C1=O 726115472 QBAIWEZJRGPACK-QAYQYMSWSA-N 428.562 1.653 30 10 IDEE C=CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn3ccccc23)c1=O 729671772 XMBCMDNPMFKXSE-UHFFFAOYSA-N 443.536 1.613 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664494 PTCFHOLPHZWALN-NVXWUHKLSA-N 440.566 1.424 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)c1 744553129 BIRYBLIBDJCIBD-KRWDZBQOSA-N 438.502 1.886 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 754977506 PDWKZQHXSJNRTD-UHFFFAOYSA-N 429.246 1.556 30 10 IDEE CN1CCC(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)(N2CCCCC2)CC1 758541063 WQFZVAMNWPLCTG-MOPGFXCFSA-N 448.612 1.995 30 10 IDEE CCc1c(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cnc2c1c(=O)n(C)c(=O)n2C 762311687 DLKFJSRDWWAZRS-SFHVURJKSA-N 433.468 1.280 30 10 IDEE N#C[C@H]1CN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CCN1C1CC1 763388274 YDLZBQXSKRBNLT-INIZCTEOSA-N 428.880 1.635 30 10 IDEE C#CCN(C(=O)CSc1nc2ccccc2nc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 765012788 MQWMSGURBLOXFD-INIZCTEOSA-N 444.582 1.971 30 10 IDEE COc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OS(=O)(=O)c1cc(C)ccc1C 765594203 SUVUJYUMSGQQDT-UHFFFAOYSA-N 430.442 1.016 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774576619 MBBDSVDGAGLIAZ-XIRDDKMYSA-N 432.546 1.698 30 10 IDEE CN1CCC(n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)CC1 794611582 ONGDQTTXEFVRRR-INIZCTEOSA-N 427.526 1.268 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 801712601 LXXRZUXZFBRVFS-LJQANCHMSA-N 430.571 1.816 30 10 IDEE C#C[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1 812526151 DELQFZZQSAJZDQ-JXFKEZNVSA-N 431.445 1.542 30 10 IDEE COc1cc(OC)c(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 918106341 XBNPONPFUIOLAZ-UHFFFAOYSA-N 433.486 1.457 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)C1=O 1131542882 QRPCWBAGAVAXRR-UHFFFAOYSA-N 426.517 1.865 30 10 IDEE CCOC(=O)C1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)Cc2ccccc2C1 1136537310 CYEWSUPITIPEOY-UHFFFAOYSA-N 430.457 1.953 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CS1(=O)=O 1165525665 CVNJHDCCLFZWMR-RHSMWYFYSA-N 439.559 1.041 30 10 IDEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nnn1-c1ccc(F)c(Cl)c1 1180990300 QAUVVDXAOSKCIJ-UHFFFAOYSA-N 429.799 1.199 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1197929804 PYJHOYWZAADPME-YOEHRIQHSA-N 425.507 1.429 30 10 IDEE CC(C)(C)OC(=O)NCC1(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1230655679 VWFPCIYDCRAQBI-LIRRHRJNSA-N 426.539 1.261 30 10 IDEE COc1ccc(C2=NO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1C 1235499011 VPXNLVIPFWQWSC-YRNRMSPPSA-N 432.502 1.076 30 10 IDEE N#Cc1c(CCCNC(=O)NC2CCN([C@H]3CCOC3)CC2)nn(-c2ccccc2)c1N 1253333058 YAVBJTNLAPFUNK-IBGZPJMESA-N 437.548 1.811 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnnn1CC1CC1 1286276292 XCDMQMRETZPIEO-GFCCVEGCSA-N 444.341 1.949 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286353939 CZEZITBABNZAJV-UHFFFAOYSA-N 441.561 1.448 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCS(=O)(=O)CC2)CC1 1286482781 YYYZXCZVSIUHHR-UHFFFAOYSA-N 448.618 1.214 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286786825 JDUSLUVSUPQTPZ-OAHLLOKOSA-N 430.513 1.084 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286930904 SACADJLHROJGBK-QBEKEKFNSA-N 443.552 1.356 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1291621459 UQUMPDLNKWWRER-IAGOWNOFSA-N 443.577 1.820 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[C@@H]1COCCO1 1297275145 QPPRTYFQYCTUDQ-GOSISDBHSA-N 444.511 1.957 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300358221 NCDJPXSHBJVRCH-QGZVFWFLSA-N 429.550 1.543 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300495036 BWCWYLFIBGFFPQ-WOJBJXKFSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1300499455 RZVDCOHESMIBJJ-QGZVFWFLSA-N 430.530 1.481 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1300556847 NELRKADSCCJYCD-LSDHHAIUSA-N 427.621 1.200 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301576716 AKGRVKJAFACLDW-NRFANRHFSA-N 445.545 1.885 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@H]2CCCO2)c1 1303941777 LRIDOUQTUGXFTH-QXAKKESOSA-N 434.514 1.171 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)c1 1304181082 ACHGPHGZHOPCJH-SFHVURJKSA-N 433.534 1.637 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1314670734 MNWRJKNNUUKEFL-QFIPXVFZSA-N 439.520 1.426 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1358889574 DKPCFXVWOCONPK-GSHUGGBRSA-N 449.552 1.850 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359057000 PURPFZXOLHGKAN-MRXNPFEDSA-N 431.541 1.794 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1359076801 MTHWLWWOJBDTPA-KGLIPLIRSA-N 447.403 1.471 30 10 IDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359218806 VYDQNGYPQUMZKG-UHFFFAOYSA-N 443.577 1.527 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1359241648 XNFLWIQIUMEUNS-INIZCTEOSA-N 434.541 1.735 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359303881 DIJZZRWYASCNCM-PKOBYXMFSA-N 438.532 1.525 30 10 IDEE C=CCNC(=O)Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@@]1(OC(C)C)CCOC1 1359305516 FKHKYSRIEIBEPD-OAQYLSRUSA-N 431.541 1.299 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCS(C)(=O)=O 1359508158 PKVOEDSWZSDGBU-UHFFFAOYSA-N 448.549 1.172 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359630923 JICSBIMEYHTOHQ-MOPGFXCFSA-N 435.532 1.694 30 10 IDEE C#CCOc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 1436300360 DPZPSMKGBOYEEF-UHFFFAOYSA-N 434.539 1.640 30 10 IDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1451312180 YWNDOGIGZZDCFR-RDJZCZTQSA-N 426.477 1.025 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1464615248 AROQECRGJLEWLR-UHFFFAOYSA-N 442.335 1.498 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)n1 1466958649 HSSVTBGREWMUFB-QFIPXVFZSA-N 438.488 1.594 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1469519988 XTEIUODTMIIJJX-CWFSZBLJSA-N 440.566 1.603 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3nc(O)c4c(C)c(C)sc4n3)CC2)C1 1471335201 DTOIVKFJRBVYPI-KRWDZBQOSA-N 442.589 1.939 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)c1 1477345390 HVAGHJWHUWCRJQ-UHFFFAOYSA-N 427.530 1.669 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1503219618 DNZJPXPCSTYLLS-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1(=O)=O 1504888443 QYDZICLKWNSYDP-SJORKVTESA-N 425.555 1.506 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1505137858 HQLDSPMUTQMDBX-GOSISDBHSA-N 429.550 1.428 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@@]2(C)CN(C)C2=O)c1 1507549247 FWYCNFFEOATYKZ-XMMPIXPASA-N 445.527 1.818 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(OCCOC)CC1 1507580501 GPVSLBSPOHCWIL-UHFFFAOYSA-N 436.520 1.966 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1507597115 VDOAXZQAEWPWER-ZCNNSNEGSA-N 428.537 1.826 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)CC 1507643798 RVUABUCYMDWQLO-UHFFFAOYSA-N 436.541 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCC)CC1 1507734304 UNTIFXQBDYYGER-IBGZPJMESA-N 443.596 1.257 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1507964426 FRRPYTAXYVYDKX-YLJYHZDGSA-N 441.598 1.830 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CC(OCC)C2)C1 1508108046 DINCKRHYOFVMSQ-YPHUNTSASA-N 442.520 1.637 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CC)C1 1508147963 OIMUYRWYEVOEJP-ULQDDVLXSA-N 428.555 1.218 30 10 IDEE CC(C)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508952837 MQNBAZUHWBPCHY-QQMHEVNUSA-N 438.536 1.730 30 10 IDEE CC[C@@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513089826 GOVAEMKCZCIUPL-GFMLWQLBSA-N 443.508 1.253 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1516946265 FZZFUKJWHZWIKQ-FGSXEWAUSA-N 447.559 1.557 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1517352345 WONSRCQUGOKZOQ-GOSISDBHSA-N 430.534 1.467 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CCN1C1CC1 1521128534 DOISZXCAFPSVDS-KBPBESRZSA-N 443.499 1.701 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@H](C)COC 1538864391 HBCUJQJKCDPJLV-MRXNPFEDSA-N 438.546 1.908 30 10 IDEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1539206367 OFQXPPKFMJMYCM-KRWDZBQOSA-N 448.545 1.482 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539219403 CEVNIPCVISPUAJ-LLGFUMIMSA-N 448.545 1.647 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC(F)(F)C2)CC1 1539477184 JVGOTCHNSRKZHV-GDBMZVCRSA-N 434.491 1.630 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1539670309 ZZTLJBOJUFZARD-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540873770 JFDXIYZXBDSYLG-OALUTQOASA-N 438.532 1.449 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCOC2)C1 1540885768 OYDQVWHZQXWAEU-UTKZUKDTSA-N 448.545 1.281 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1540897890 UZNGCHWXFAZHBH-UHFFFAOYSA-N 435.525 1.995 30 10 IDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1540912746 BRUAHJSLQPFWMY-ZDUSSCGKSA-N 425.518 1.825 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1546043535 VMHPIGQUFCFBQD-UHOSZYNNSA-N 432.569 1.730 30 10 IDEE CC[C@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)O1 1546046107 WUPHXIGACJSYCP-NPPFBWRTSA-N 429.569 1.941 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1554353387 XCJZDRGWWFCWNO-MGPUTAFESA-N 432.431 1.754 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1555674146 RRNXKEFGWYEDMZ-WHSLLNHNSA-N 431.493 1.899 30 10 IDEE C#CC[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C)C(=O)OC 1556971137 QWXAVAWHFGXGNH-CABCVRRESA-N 445.335 1.433 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)CC1 1558073178 NFJWOARYZYTIKU-UHFFFAOYSA-N 439.387 1.115 30 10 IDEE CON(C)C[C@H](O)Cn1cc(NC(=O)COc2ccc(C#N)c(Br)c2)cn1 1566433824 YCXLHVHKXSEUGT-AWEZNQCLSA-N 438.282 1.389 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(CC#N)CC1 1586491268 NVWBALISZYPEOA-FQEVSTJZSA-N 446.598 1.908 30 10 IDEE COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1587942163 GNUKJCLAFDLYNE-DYESRHJHSA-N 449.529 1.138 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1588054220 LYABJIWRCMKZJV-QGZVFWFLSA-N 426.608 1.678 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 1588198824 ABEKHPXFEQSJJI-MRXNPFEDSA-N 448.372 1.665 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1 1588276932 DFZPCQDHXJTWKL-LJQANCHMSA-N 445.585 1.642 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC1 1588749859 AKNXAFQWQPBWQQ-ZWKOTPCHSA-N 429.496 1.728 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](OC)C(C)C)CC1 1588806195 JAXXFTJEWOBSSV-HXUWFJFHSA-N 449.559 1.618 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2([S@](C)=O)CC2)CC1 1588858209 ZTTXAKOJYWEKQF-HKBQPEDESA-N 441.601 1.738 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1595705651 CQRNFJNRXAZSQR-RWNPKEDZSA-N 435.488 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C)CC1 1595760755 RVYHPKFULAGZFV-GJZGRUSLSA-N 433.600 1.116 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cc(=O)n4ccccc4n3)C2=O)cc1 1614585007 ZKCSSDIDOFSDBG-KRWDZBQOSA-N 430.424 1.088 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)C1 1615972481 DWSURCYGUOWSIQ-NQIIRXRSSA-N 444.561 1.496 30 10 IDEE CCOC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1616288676 ANJQQCOWVCKPBP-QAPCUYQASA-N 425.530 1.971 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1617696966 HROCOUZXBVBEGW-LEWJYISDSA-N 440.548 1.779 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1619959321 QHTVGKPQIQFESA-ZACQAIPSSA-N 442.520 1.662 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C2OCCO2)c1 1620025691 RHZQJHMVUHTENJ-LPHOPBHVSA-N 443.504 1.825 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n[nH]2)c1C 1623817396 FHBPSCBBSLXLKO-MRXNPFEDSA-N 434.566 1.820 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(O)cc3C(F)(F)F)CC2)cc1 1629485381 MNPDEFDWDKLHTP-UHFFFAOYSA-N 440.403 1.824 30 10 IDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)NCC(F)(F)F 1630742594 HWAKWGPRATYPMG-HYONLYSNSA-N 432.443 1.956 30 10 IDEE Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1633550220 MFPJFVNLNOJLBN-AWEZNQCLSA-N 445.277 1.233 30 10 IDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1634053505 PDJBUBGGNQGHBW-QNOZYLDQSA-N 433.553 1.988 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1 1637773451 FJKBVNPQDHXEBW-SFHVURJKSA-N 442.497 1.072 30 10 IDEE C#CCN1CCC(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1638706303 RLYZPABCVIYLAK-GOSISDBHSA-N 433.549 1.781 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1641386852 DFFVFEHDVIQJAF-GOSISDBHSA-N 444.532 1.669 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)s1 1642045888 BZDONEKULAEKCN-INIZCTEOSA-N 440.568 1.541 30 10 IDEE Cc1c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 1642528465 XLHQVYIKAVAUCS-UHFFFAOYSA-N 432.484 1.529 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1645726945 LYOWCIZKASPSEG-OWQGQXMQSA-N 435.527 1.248 30 10 IDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCc2c(sc(N)c2C#N)C1 1648291694 QJBCHUWISDMTLV-UHFFFAOYSA-N 429.527 1.681 30 10 IDEE CN1CC[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)[C@H](c2cnn(C)c2)C1 1651223771 UOELBHSRHVMEPM-MOPGFXCFSA-N 425.489 1.360 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C2CC2)C1=O 1651829065 BUVBGZLFYVVMIH-IBGZPJMESA-N 427.457 1.516 30 10 IDEE COc1ccc(NC(=O)Cn2ccc(C#N)cc2=O)cc1S(=O)(=O)N1CCCCC1 1652961840 BXUQCGDJBAHXKX-UHFFFAOYSA-N 430.486 1.542 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)OC)oc1Br 1664295399 LTQTUFDQEXCODK-UHFFFAOYSA-N 436.280 1.794 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 1664415038 XCSKJOICEXYMTO-UHFFFAOYSA-N 427.954 1.769 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 1664881304 ARGLLLCLAIGBTE-MRXNPFEDSA-N 439.534 1.517 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)OCC 1664952117 TUQHKBQHPKBOJS-AWEZNQCLSA-N 430.910 1.724 30 10 IDEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C(C)(C)C 1666432496 VLHGPRILWRXJLZ-HOCLYGCPSA-N 427.548 1.321 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)CC1 1673243294 UIQDLIJRNPSGOT-UHFFFAOYSA-N 438.460 1.076 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)Cc2cn(C)c3ccccc23)CC1 1684428152 BRRINNODOKQNTB-GOSISDBHSA-N 431.562 1.294 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1689979770 GWQQUFORPOUCTG-IRXDYDNUSA-N 436.534 1.579 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1690019201 CSINFEUMWRTEIS-QFIPXVFZSA-N 448.527 1.028 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1690160020 UPXZCAMIVNVTFN-SFHVURJKSA-N 444.582 1.947 30 10 IDEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690316259 BJTQFVNOYBANKU-IBGZPJMESA-N 440.548 1.878 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690351120 IMYZKFGHIRNHPD-MAUKXSAKSA-N 449.987 1.142 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CC(F)C1 1690665829 QZFXSMMUNHMZRY-UHFFFAOYSA-N 425.472 1.407 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690666775 GFCUFZVOILJYJR-QGZVFWFLSA-N 435.532 1.812 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1 1690683488 MCONSPHIFSUKBN-DLBZAZTESA-N 445.545 1.105 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1692584096 KTLQCBDBQSPCTK-ZWKOTPCHSA-N 430.431 1.142 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)(F)F 1696298460 IADKGDUAMDQROM-UHFFFAOYSA-N 439.398 1.028 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1 1697407620 IMOQKAUAELYHBO-UXHICEINSA-N 427.505 1.606 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705522443 FREVYNMPJBEAIN-UFYCRDLUSA-N 445.564 1.633 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(S(C)(=O)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705559435 AOUMEOYTTFEDEG-HNNXBMFYSA-N 442.607 1.170 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1705562050 XKUHNCJFDSBRTR-GHTZIAJQSA-N 436.578 1.912 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705564178 MFRMBRGNRGHAQL-INIZCTEOSA-N 428.543 1.780 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1705580674 NZBDGGMMVNVKRF-UHFFFAOYSA-N 445.527 1.427 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705936026 IGNLVONPISCJBH-INIZCTEOSA-N 436.538 1.806 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709833099 DYWURAXMGZEWBD-AWEZNQCLSA-N 425.493 1.233 30 10 IDEE CC[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710915934 OXPNSJDNIBMJCQ-OKXSDPAFSA-N 443.577 1.534 30 10 IDEE CCSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1710964493 WLYMVTZXBZCTHL-RDJZCZTQSA-N 438.623 1.500 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1711085437 HMKXSYCOHCTKHY-UHFFFAOYSA-N 431.500 1.631 30 10 IDEE C#CCSCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1722463586 GVJPEJLYFLGJBG-NRFANRHFSA-N 435.594 1.601 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1 1722470678 UFCQZJUIJRIAOR-OAQYLSRUSA-N 439.545 1.627 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1722530452 FPBQSMALHMATMJ-UHFFFAOYSA-N 433.534 1.268 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)nc(N2CCCC2)c1 1722631522 PHDXRFPJEBLERN-INIZCTEOSA-N 433.582 1.862 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1722699000 QHDOCAPMZOIWRZ-RBUKOAKNSA-N 432.569 1.023 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 1722712839 AIGMSCOXTZMARU-XUVXKRRUSA-N 445.612 1.284 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN2CCOC[C@@H]2C1 1722725263 HPVZYQWXONRPKL-SFHVURJKSA-N 431.562 1.375 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722772363 VGDFCBBXYRGDBU-QZQOTICOSA-N 441.536 1.204 30 10 IDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1723107552 BDLUCYHTMDBEQM-HTAPYJJXSA-N 440.504 1.777 30 10 IDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C1 1730370817 BVRUIYBGMABAPH-GOSISDBHSA-N 445.545 1.921 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1730763560 HRRMMJDUZOTRRP-QGZVFWFLSA-N 433.534 1.495 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@](C)(O)c1ccco1 1730871669 VPGFHLQKNWZAOG-CDMIOBSGSA-N 444.536 1.679 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CCOc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1731182502 NJBZYWRGXQOHHU-HRAATJIYSA-N 441.467 1.330 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1740554130 WRCKWVDOJOEGCO-DOTOQJQBSA-N 426.546 1.996 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740588810 ZIRDQTNJUKLEIM-HNNXBMFYSA-N 431.518 1.557 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OCC)CC1 1740690595 XVNJIIQDRKBGKH-UHFFFAOYSA-N 446.515 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cnn(CCOC)c2)CC1 1740702991 ZRWOKAQHCMGCHW-KRWDZBQOSA-N 427.553 1.649 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1741170346 HOUSJMQIZRJSHH-QGZVFWFLSA-N 443.577 1.604 30 10 IDEE CC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1744904852 IOSCEUSAMNDJEJ-KIJUOZEOSA-N 427.509 1.419 30 10 IDEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1747142765 FUUQVPNWGSONLW-PGRDOPGGSA-N 431.585 1.887 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@H]1C 1747187509 CWDFAEUGPKPNIY-GOSISDBHSA-N 440.552 1.129 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CCO1 1748221848 BPPZZYRYWHSWPF-MRXNPFEDSA-N 439.501 1.185 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1748563968 ANPKTAXTLKRPKQ-VBKZILBWSA-N 449.533 1.108 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1748672092 QFEYFXYVNOONFX-JKSUJKDBSA-N 427.571 1.274 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1748672628 VVXOMPVSCHQZRK-SUMWQHHRSA-N 439.488 1.395 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1748699164 LNTLATWKHOYRAB-MRXNPFEDSA-N 439.582 1.814 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1748804049 CMCAZUKGJODIIT-FXAWDEMLSA-N 434.518 1.198 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748811414 GPRZNFGLQGCRLR-MSOLQXFVSA-N 443.577 1.094 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1748882430 ROXFSZDLWCHFRW-UHFFFAOYSA-N 442.501 1.352 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)O)CC1 1749003927 ZHXCPZFLHAGRCQ-JOCHJYFZSA-N 433.553 1.055 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1749043707 JBWYTFYNDGJRCW-OAQYLSRUSA-N 446.665 1.828 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1749086079 DJUOTFMDAVUJNP-GQWLDOHISA-N 431.468 1.848 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1749116027 YQHUXAYTHLAPMW-RTBURBONSA-N 432.569 1.750 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)OC 1749326532 BJJZOCAEYOIUFJ-FPOVZHCZSA-N 440.548 1.637 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 1749401874 DZFDUFWZMJUCDT-ZWKOTPCHSA-N 441.598 1.973 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1749426767 HFRASSTUUYPUHB-KRWDZBQOSA-N 425.555 1.360 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749452350 WVYXCWDQZQMXRZ-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC=C(Br)C1 1749652666 QQXWSNGYLOBHLX-ZDUSSCGKSA-N 428.331 1.793 30 10 IDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1750527524 CXJLOPYONDDOKJ-KBPBESRZSA-N 425.459 1.994 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1750949784 ZGPGTJOTJDYDFD-KSFYIVLOSA-N 439.495 1.911 30 10 IDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760138388 XMEQXOJBGGZHGU-LJQANCHMSA-N 442.564 1.247 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](COC)C1 1760152034 CTJPTHNOSCUFMG-MRXNPFEDSA-N 432.550 1.503 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCN1CCCS1(=O)=O 1760168631 JOZZQQLYIXJGAG-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1760211922 OMWSLJCCKHUYCB-DEOSSOPVSA-N 443.592 1.892 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCC(O)CC2)CC1 1760265775 JBCIKOYSATWDFX-SFHVURJKSA-N 430.597 1.604 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1760358192 SFLRWCPGGXXDGS-OAHLLOKOSA-N 427.571 1.124 30 10 IDEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760438221 BFGVQVMOYNMBHO-LJQANCHMSA-N 432.569 1.467 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@H]2CCOC2)CC1 1760514927 ORNPEVPTULIAKS-QGZVFWFLSA-N 439.520 1.481 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)C1 1760537525 PAQCLBJFULLKGH-KRWDZBQOSA-N 444.927 1.949 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCCC2)C1 1760547075 CTOVEGMDGRGKMO-BZSNNMDCSA-N 433.553 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(F)(F)CC1 1760553954 NBBHKFJBRBFFEB-UHFFFAOYSA-N 443.476 1.842 30 10 IDEE C=CCSCCn1c(C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1760559960 MNKBXOZYUARFBP-UHFFFAOYSA-N 431.591 1.897 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760693051 GIBFFMKZXTZNGH-HOJAQTOUSA-N 437.548 1.899 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1760695334 FYECPJHLZFDJBE-RBSFLKMASA-N 446.524 1.642 30 10 IDEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1764274733 HVNFKJVSWQSSSX-GOSISDBHSA-N 438.536 1.419 30 10 IDEE CCOCc1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766369724 JHCLQFUDORDZAS-FMQUCBEESA-N 444.536 1.738 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1766610888 QZOLDHHIZCTBPU-MBSDFSHPSA-N 440.548 1.515 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(C2CCCC2)nnc1N1CCO[C@H](C#N)C1 1768522306 GWHVFAKJYOQPJP-GOSISDBHSA-N 444.561 1.963 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC[C@H]1C 1769086140 ONFNRNJZPDPHMW-VQIMIIECSA-N 444.561 1.713 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)CC2CC2)CCO1 1770747254 HKEAFMFSVUHWOW-SFHVURJKSA-N 433.509 1.562 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)ON1C(=O)c2ccccc2C1=O 1772788996 LJAGRNQDKFQLJW-OAHLLOKOSA-N 431.445 1.647 30 10 IDEE CCCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1772868978 FRIYXMCROGMQLP-SJLPKXTDSA-N 436.582 1.173 30 10 IDEE C=CCN(C(=O)CCn1nc(-c2cc(OC)ccc2OC)ccc1=O)[C@H]1CCN(C)C1=O 1850862055 HFBRMIGGFXMJNF-IBGZPJMESA-N 440.500 1.563 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1 1853275877 PKVGWGYGEQMEMP-CQSZACIVSA-N 439.582 1.568 30 10 IDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)c1 1866887320 KZZCWLRVDVVALT-KRWDZBQOSA-N 435.889 1.491 30 10 IDEE N#Cc1ccc(Cn2nnc3c(=O)n(Cc4cc([N+](=O)[O-])cc5c4OCOC5)cnc32)cc1 1870105026 WNKOGMBZNATIRE-UHFFFAOYSA-N 445.395 1.731 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC(C)C)cn1CCN1CCOCC1 1870509954 PGJOXXWVEQGNDY-UHFFFAOYSA-N 432.565 1.258 30 10 IDEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871656600 FZDFCDRNDQPNSH-SFHVURJKSA-N 438.580 1.760 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986132527 RUMCJYAJDXOHKA-PMPSAXMXSA-N 425.526 1.780 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ncc(C#CCCO)s1 2089698275 JDPMYKOEYMOOMP-UHFFFAOYSA-N 433.511 1.695 30 10 IDEE Cn1nc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255624178 CSYYHMPLJBFRDE-OKILXGFUSA-N 434.346 1.752 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255697619 JRKSQMYOUZOLNQ-AWEZNQCLSA-N 432.330 1.857 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCC(=O)O)Cc1ccccc1 2256902634 ADUKWKVVHMVZAD-UHFFFAOYSA-N 449.338 1.385 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2259355097 KFKFCDXMCIQHCH-CHWSQXEVSA-N 435.334 1.147 30 10 IDEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267127108 GUHZJATWKCENQT-DGCLKSJQSA-N 444.263 1.248 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NCCc3cnn(Cc4ccccc4)c3)nc2)OC1(C)C 2267161172 XQMCSOGUYZOOKA-UHFFFAOYSA-N 433.321 1.993 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267270089 JLZJBYUSUUVOKS-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267503736 IKEUQLGYMGPEHY-YPMHNXCESA-N 444.263 1.248 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CC[C@H]32)n1 2267549535 MXAZCUVGSCNRKU-KGLIPLIRSA-N 447.345 1.338 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)CN1Cc1ccccc1 2267602355 LJUQIEMGQAYJIA-DLBZAZTESA-N 439.369 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268651588 PIAFJCCAPBGULZ-ZDUSSCGKSA-N 446.313 1.055 30 10 IDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CC[C@H](C3OCCO3)C2)OC1(C)C 2282832799 RKVDVWLTYCXHBW-ZDUSSCGKSA-N 427.303 1.508 30 10 IDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)O)[nH]c3cc(OC)ccc23)c1=O 2321656235 NCLAUCZDADQZDR-UHFFFAOYSA-N 431.430 1.103 30 10 IDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(CC=Cc2ccccc2)CC1 2329001577 PGMIPXPMNXTEJF-UHFFFAOYSA-N 436.556 1.990 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CC2 2337206742 RVAYGKGFYCAQEL-AWEZNQCLSA-N 446.357 1.991 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)c1 20827660 RWCMAWYNDVRJOV-DNTJNYDQSA-N 429.510 1.955 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105285476 CUYSAVKANZFOJD-UHFFFAOYSA-N 427.530 1.946 30 10 IDEE COc1ccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254346386 GKSYOPDGVJHWHC-FZMZJTMJSA-N 428.488 1.170 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 410112239 ASEYKDXXEIWFSE-GOSISDBHSA-N 439.965 1.986 30 10 IDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 438743851 KAZFFCLFQGFWIP-RBUKOAKNSA-N 444.557 1.999 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447282246 XRHVOVROWZUODP-UHFFFAOYSA-N 426.448 1.371 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OC)cc2I)CC1 471475320 HZJUSEYZCZSXDI-UHFFFAOYSA-N 443.285 1.360 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)CC1 471622778 ULCFSMYMYJXIPF-UHFFFAOYSA-N 448.467 1.137 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1-c1ccccc1C 480961834 UOCPSOVBIAISMU-UHFFFAOYSA-N 435.505 1.752 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 481532095 ICWCPTKRILQKAL-QFBILLFUSA-N 429.498 1.531 30 10 IDEE CN(C)[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCSC1 481789906 XZYMERTYXSCZAV-IBGZPJMESA-N 437.591 1.011 30 10 IDEE COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 482815282 MYEXTMNYBGARRW-NVXWUHKLSA-N 428.514 1.629 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)C2=O)cc1 488275184 WFPNMRICRHWEOZ-ICSRJNTNSA-N 437.475 1.442 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)n2)cc1 491097733 BXBHEAPXOTXDAA-UFYCRDLUSA-N 433.516 1.469 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3nc(C)no3)nnc12 492212243 YQCATMIRRJZDNC-UHFFFAOYSA-N 425.474 1.373 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 506957046 ZVYXHTVOBMXIKP-UHFFFAOYSA-N 446.555 1.355 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CCN1Cc1ccccc1 511805459 GDZMMPVSDLDUIY-WERVVEIQSA-N 427.574 1.949 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1ccccn1 525266113 VSYLJUKSECONTK-UHFFFAOYSA-N 430.489 1.884 30 10 IDEE N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 559039709 QAZIUXZBDACXMX-HNNXBMFYSA-N 426.860 1.946 30 10 IDEE Cc1ccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccccc3)c2=O)cc1 603791993 HFBAFVYHSFBYDI-UHFFFAOYSA-N 431.517 1.569 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 610596427 BKSRJFRFWWAUPN-KSFYIVLOSA-N 425.489 1.832 30 10 IDEE C#Cc1ccc(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)cn1 729030514 UDERZROTPONALD-UHFFFAOYSA-N 432.436 1.076 30 10 IDEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730140746 XUMVWKJLDWLLHC-QGZVFWFLSA-N 449.552 1.412 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 741389501 HYRQYGFGJFWCSJ-SEPJKUCUSA-N 438.506 1.295 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)OCc3ccc(OC)c(C#N)c3)cc2S1(=O)=O 747034354 ANHCKKKUKHGYCV-UHFFFAOYSA-N 430.438 1.715 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1C#N 747499102 WCEUQLIBFCBZLL-UHFFFAOYSA-N 430.486 1.381 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C)[C@@H]1CCS(=O)(=O)C1 751273920 NEZWSERAKDOXEE-OAHLLOKOSA-N 426.560 1.334 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 774262623 UQGOZSUXYZASIE-SFHVURJKSA-N 447.605 1.781 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 781647977 BPNYJTHFWZCADR-KRWDZBQOSA-N 426.542 1.568 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 781652783 AKASVSONKZXBMN-UHFFFAOYSA-N 427.526 1.097 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)OCC(F)(F)F)CC2)cc1 788895510 JPMWFKLGQOUCIP-UHFFFAOYSA-N 434.392 1.608 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)n1 790104521 DZETVERQDGFEJE-UHFFFAOYSA-N 447.543 1.682 30 10 IDEE C=CC[C@@]1(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 790299106 IQGCJHDTUDRLIT-QRWLVFNGSA-N 443.566 1.094 30 10 IDEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 792743919 CXBFXOQLBKSJJF-IAGOWNOFSA-N 429.546 1.197 30 10 IDEE COCC1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)CC1 793479278 FAAJMHZLTPBUBH-WUKNDPDISA-N 436.509 1.293 30 10 IDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 793507134 BNFNVWUJHKUTGI-IERDGZPVSA-N 428.489 1.599 30 10 IDEE CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)[C@H](C)n1cnc(C#N)n1 798811392 BOKWBLODUHPQQY-VIFPVBQESA-N 428.268 1.377 30 10 IDEE C#C[C@@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1 812936869 WKHFFRMAIOOQQE-SCLBCKFNSA-N 432.477 1.735 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(Cc4ccco4)CC3)cc2C1=O 918812645 SAGUPDCARZEOMR-UHFFFAOYSA-N 437.452 1.563 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(Br)cc3-n3cncn3)C[C@H]1CS(=O)(=O)C2 1134649967 SZLQORLFRVBQGJ-MEDUHNTESA-N 436.291 1.040 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)s1 1136693225 ZEPFCERZITUVNI-MRXNPFEDSA-N 449.602 1.893 30 10 IDEE N#CCCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1171874415 DBUCPKSHMOZUII-UHFFFAOYSA-N 434.440 1.311 30 10 IDEE C#CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1178207254 GYARLGIKSLWABI-QGZVFWFLSA-N 439.603 1.501 30 10 IDEE C#CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C1CCN(C)CC1 1178739862 UDHOZSPHGLQKKH-UHFFFAOYSA-N 448.589 1.003 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn(C)nc2-c2ccccc2)CC1 1286470050 RHEUYHUOPBQTQU-UHFFFAOYSA-N 446.559 1.620 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCCC[C@H]2C)CC1 1286478591 DRZOUQIRRRUPJA-UXHICEINSA-N 427.597 1.639 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C 1286565581 BMRSGHCTZAPIHQ-MRXNPFEDSA-N 428.603 1.402 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286656666 PMWHTDZNOPFXIZ-CVDCTZTESA-N 447.580 1.828 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1286766112 NVYPHYOXQFHGPV-QGZVFWFLSA-N 447.561 1.663 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)C1 1286810048 XTHWZLLBSWMGQM-WOJBJXKFSA-N 445.612 1.284 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 1293214346 JSYDEGSGVFDFJC-KRWDZBQOSA-N 425.510 1.591 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1300309046 RZTGUFXCBQZGCM-CABCVRRESA-N 435.516 1.912 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1300409638 IZJHCAVKOAIFKF-LSDHHAIUSA-N 433.500 1.666 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300411546 SVXMPHVQBUWUKP-SFHVURJKSA-N 425.537 1.575 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1300465026 JKUZAKLBZGZLLM-JGVYIQDASA-N 437.566 1.567 30 10 IDEE C#CCN(c1nnc(C)n1CCCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300485645 XWXQOIZGLZJDGU-GOSISDBHSA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300501324 JQRQFCYNZMUWTP-FQEVSTJZSA-N 442.589 1.377 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1300511982 DSMWBALUTORMSH-ZWKOTPCHSA-N 426.521 1.651 30 10 IDEE COc1ccccc1OCc1nnc(N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1300651224 UMGWROBSIYHKGU-QZQOTICOSA-N 438.488 1.992 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCS(C)(=O)=O 1300895659 UJKLKCYLISNIPL-XSLAGTTESA-N 442.582 1.464 30 10 IDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCO[C@H]1C 1301426244 QJQJIQIEVSYYBG-JTSKRJEESA-N 426.521 1.695 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)C(C)(C)C)C1 1301543668 OLTKVMLDCHNUPS-HTAPYJJXSA-N 435.569 1.874 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301637042 JHQODHAMORJNIT-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1302100269 XVQYYZDDGVUNSZ-OTWHNJEPSA-N 436.557 1.232 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1 1306011983 CBDBXFJFPWUZQA-IRXDYDNUSA-N 439.509 1.675 30 10 IDEE COC(=O)c1cn(C)nc1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1311306382 DIATVVSQTVWHEA-UHFFFAOYSA-N 434.460 1.823 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358959700 NZIGQKGHLRZBGR-GOSISDBHSA-N 444.557 1.422 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1358962751 WBMFIGVJAKFGDN-OTWHNJEPSA-N 435.594 1.487 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1358984954 LGNPGJSEVBDBAS-HNAYVOBHSA-N 435.575 1.320 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2(O)CCOC2)CC1 1359039874 ZNLJUUSRMPDTNB-QFIPXVFZSA-N 443.573 1.486 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2cc(C)cn2)CC1 1359047201 WDKWSVFDBVCLDA-UHFFFAOYSA-N 449.563 1.311 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359331034 LEQYLIWJRPCPAQ-UHFFFAOYSA-N 447.565 1.031 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCS[C@@H](C)[C@@H]1C 1359334957 VWGLHXSYWOOAAE-GJZGRUSLSA-N 427.596 1.332 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359335841 WPJJTNFRECQPAY-HNNXBMFYSA-N 443.570 1.519 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1359357242 BJWVGXXOQFSHKD-SESVDKBCSA-N 438.532 1.661 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4cc(F)ncn4)CC3)C2=O)cc1 1449976770 HWKGGOSIIACWQW-MRXNPFEDSA-N 437.435 1.041 30 10 IDEE C#CC[C@]1(C(=O)NCc2cn(CCOC)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1455141088 URVDJNSNTGGXIT-OAQYLSRUSA-N 434.493 1.005 30 10 IDEE CC(C)(C)c1nnc2n1CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1470386323 CUUYXDXKMLSJAB-MRXNPFEDSA-N 435.488 1.695 30 10 IDEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1472191404 DTATXLYRDTZDMM-APPDUMDISA-N 426.520 1.178 30 10 IDEE CCOC(=O)C1(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)CCOCC1 1472554768 VYJDCOXQORGTJD-UHFFFAOYSA-N 440.294 1.919 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@@H]1CCC[C@H]1C#N 1473707279 IRXMMDVCLMCQCM-PZJWPPBQSA-N 430.574 1.632 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1479312619 IZGNHKYJJSDPQL-IRXDYDNUSA-N 434.537 1.136 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1495808011 DMQMYCLIUZZLBP-HMWBCQRISA-N 437.495 1.705 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1501566430 FCCXQODVGPGZPZ-SFHVURJKSA-N 425.518 1.612 30 10 IDEE CCOCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1503199338 MHROJUMKZKHURD-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)n1 1503671436 HDRLAYSYLREMRZ-UHFFFAOYSA-N 426.506 1.007 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C(C)C)C[C@H]1O 1503881555 OBEYABZXYNNWSW-QRVBRYPASA-N 427.505 1.848 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1507537708 IZWKBRXHZPPICV-HDMKZQKVSA-N 427.596 1.355 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1507632359 ZMBFRTHVLBSWPA-RTBURBONSA-N 428.562 1.451 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2oc(CCC)nc2C)CC1 1507731811 PPUAJCSZKDZQHJ-QGZVFWFLSA-N 446.577 1.233 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nncn2CC)CC1 1507732760 SIHUCNYPSSNBAH-UHFFFAOYSA-N 434.548 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCCC2)CC1 1507737895 CSZZUEBBZYMSOE-HXUWFJFHSA-N 428.581 1.971 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507936276 AARFDFDISLDLGO-SFHVURJKSA-N 429.569 1.223 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 1507952967 CGPIAQLNOYWWJB-QGZVFWFLSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1508091634 VYJDLYRTFSFFAV-GOSISDBHSA-N 443.596 1.371 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508664580 OQBJMQKQXZYTRJ-FUHWJXTLSA-N 445.568 1.873 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1514987882 FLLZFEPMWYBYDK-HNNXBMFYSA-N 426.498 1.496 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518958518 FTVFSVPUJRQTSH-JOCHJYFZSA-N 435.488 1.663 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2cccc(OC)c2OC)[C@H]1c1nccn1C 1536346415 NAHLMOINVNRTJM-LJHODMEESA-N 427.461 1.107 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1538973228 NPTLRLPCJODUDE-RLFYNMQTSA-N 436.557 1.788 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1539133246 WOELJMPBKAWQAC-UHFFFAOYSA-N 428.566 1.554 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1539145785 RNKBGRVKSGQRGR-OAQYLSRUSA-N 438.576 1.881 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539185143 AWFGNVDRJJMMJM-UHFFFAOYSA-N 429.528 1.682 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1539212794 SWUZEQRKKOFPLD-MRXNPFEDSA-N 448.545 1.626 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1539220103 PPAVKFKEIKGLNU-QZTJIDSGSA-N 430.578 1.877 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)C(C)(C)C 1539284784 BLDAAAQJSHQQJX-UHFFFAOYSA-N 438.557 1.803 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1539296323 OIIAUKHIOKFFAR-SFHVURJKSA-N 429.546 1.739 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1=CCCOC1 1539399067 ANCRCPZBISFIHA-UHFFFAOYSA-N 430.530 1.781 30 10 IDEE C=CCCOCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540042805 RNFVPPUXEDGHKR-SIKLNZKXSA-N 435.569 1.432 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1540701209 WFDPELSTQSEZFD-CVEARBPZSA-N 445.582 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1540900350 SGTBSCKDRXJMOB-UHFFFAOYSA-N 429.546 1.652 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1540901841 QXCJZZSTAHWITI-GOSISDBHSA-N 447.609 1.592 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(S(C)(=O)=O)cc2)n1 1542633296 GQBSPDPYECLIIF-KRWDZBQOSA-N 438.513 1.829 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1543379353 ZFLOXXBOVWWWIZ-DNVFCKCGSA-N 428.533 1.983 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(OC[C@@H]4CCOC4)CC3)C2=O)cc1 1546078262 JECAAZLMHIUIME-XLIONFOSSA-N 440.500 1.807 30 10 IDEE C#CCN(CC(=O)Nc1c[nH]cc(I)c1=O)C(=O)OC(C)(C)C 1558394557 IHUTUOMFGQLHSV-UHFFFAOYSA-N 431.230 1.788 30 10 IDEE O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O 1559817613 GXVVCUYHMDASFS-ZWKOTPCHSA-N 425.485 1.656 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCN(O)C1=O 1569561166 PBYNJNHMLKYALC-IAGOWNOFSA-N 437.543 1.346 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)c1OC 1585387237 GNIIBLXUOMJBOJ-CXAGYDPISA-N 433.486 1.358 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCS(=O)(=O)C1 1587661491 CLTMLWGSBFFNFR-HRAATJIYSA-N 427.530 1.289 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)on1 1588099761 YFOOKAUYMMKQEW-UHFFFAOYSA-N 438.513 1.613 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)nc1 1588218694 AOVFBNBFTWHREK-UHFFFAOYSA-N 431.456 1.011 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1588387455 UJHZQAGMAXKKRS-IBGZPJMESA-N 447.561 1.436 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2Cc2ccccc2)CC1 1588733662 XVDYJGYXSGKVLK-JOCHJYFZSA-N 449.603 1.836 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)COC)CC1 1588811637 LGXQRTQUEHPARO-IBGZPJMESA-N 438.580 1.490 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(C)C)CC1 1588835521 AEODLIFRSRQQSF-KRWDZBQOSA-N 425.624 1.325 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1589207204 ITASJBWTMCMURM-XMSQKQJNSA-N 441.557 1.814 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589530860 YVBZUCUSWJHGFM-UHOSZYNNSA-N 429.525 1.001 30 10 IDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(=O)N(C)C)c1 1594992483 JHDXXDCDVRYLKQ-UHFFFAOYSA-N 426.521 1.538 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1595501017 JJGDPDDBGWZVMV-UHFFFAOYSA-N 447.478 1.375 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CCOCC3)n[nH]2)c1 1596358949 LVHHHAQWNHVLCW-XIEYBQDHSA-N 446.533 1.693 30 10 IDEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1597705672 CWBSGCPKMFVZBB-SFNQZPIRSA-N 449.602 1.987 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C2OCCO2)c1 1620025693 RHZQJHMVUHTENJ-QFBILLFUSA-N 443.504 1.825 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1620354926 DSGRQANHVLYLSW-QGZVFWFLSA-N 437.891 1.793 30 10 IDEE COC(=O)c1cccn(CC(=O)Nc2ccc(C#N)cc2I)c1=O 1626254536 OCEBOZZYVCBENI-UHFFFAOYSA-N 437.193 1.750 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 1627789883 FFCSEBDCVWGZBI-NRFANRHFSA-N 447.543 1.514 30 10 IDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1629279511 FWNBOYYXQQEOBX-NWDGAFQWSA-N 447.435 1.315 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(I)cc1O 1632757383 BSCOQIVMMQXOBQ-PFONDFGASA-N 427.198 1.852 30 10 IDEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1633949488 HBPKVRGUYOFGBI-BXTBWTEWSA-N 445.932 1.630 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(F)ccc2CS(C)(=O)=O)c1 1635010653 LCMPOLFMCWOONJ-UHFFFAOYSA-N 440.518 1.765 30 10 IDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccc(C(=O)NO)cc1 1635200763 NQEZUYOWHNCAME-YOEHRIQHSA-N 434.537 1.648 30 10 IDEE N#Cc1cc(NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)ccc1N1CCC(O)CC1 1636142519 PFWNBNSNARRELW-HXUWFJFHSA-N 438.484 1.745 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1637389713 KVURUUJWABQUGV-MSOLQXFVSA-N 436.553 1.526 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1637753033 PPUSTDYIBGUJDD-UHFFFAOYSA-N 428.537 1.591 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 1639611702 GMSUQYGUCPXTEQ-CVEARBPZSA-N 436.534 1.645 30 10 IDEE Cn1c(=O)[nH]c(NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(C#N)c1=O 1642430933 GHZSMCMTJKFRKR-UHFFFAOYSA-N 429.433 1.497 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](Cc3cccc(OC)c3)C2)cc1 1642747601 BHAWNAWUPOFOPL-LJQANCHMSA-N 429.542 1.816 30 10 IDEE C#CC1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1643525531 KXPDNONYGPJVME-UHFFFAOYSA-N 431.558 1.480 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 1644858597 MOOGBBPZRIPEEG-UHFFFAOYSA-N 425.533 1.192 30 10 IDEE Cc1cc(O)nc(N2CCC[C@@H](NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1645357108 GHNJJQDLKJFXNP-MRXNPFEDSA-N 425.493 1.660 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)n(-c2cccc(F)c2)c1C 1646595023 FPFLHZIQZAVLEP-UHFFFAOYSA-N 440.523 1.749 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@H]2CCOC2)CC1 1648474072 YJZWVEBPOKIJMR-STZQEDGTSA-N 430.524 1.662 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)C2)c(=O)nc1O 1653760064 QFCZOQJWUZSBRL-GOSISDBHSA-N 437.456 1.395 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C 1658953083 UWZKGJBWEGNOLL-QGZVFWFLSA-N 437.562 1.777 30 10 IDEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)NCC#CCO)C2=O)cc1OC 1675461123 LWVNJFOHCDQYRL-LGMDPLHJSA-N 433.486 1.425 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC(Oc3ccc(C#N)cc3)C1)CCS2(=O)=O 1676624597 BUTYFBNYUPFTJM-ZGOJQLDESA-N 447.513 1.230 30 10 IDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1687366640 UMZZILQRBZYCGM-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1690048711 NBNNDSPBEPENDF-JOCHJYFZSA-N 435.528 1.976 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1690109154 IKIVTYSKRNBYGO-UXHICEINSA-N 428.581 1.865 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)cc2)CC1 1690131269 WYHALGGVEGLJDV-UHFFFAOYSA-N 435.532 1.162 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1690190105 LIDHZXWRMYKZNZ-QVKFZJNVSA-N 445.545 1.700 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690351119 IMYZKFGHIRNHPD-CRAIPNDOSA-N 449.987 1.142 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694116762 XFAPHIIUXLGGLC-IUTYPILCSA-N 445.524 1.595 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1694352632 CVMXCWNUFKDKQN-FUHWJXTLSA-N 431.541 1.184 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(CN4CCCC4=O)n3CCCCCO)CC2)c1 1698488078 CBTVCCCMVPELMG-UHFFFAOYSA-N 438.536 1.156 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1705524345 KBYUNBWHVUGDNC-AWEZNQCLSA-N 432.506 1.773 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705568239 JQRUBWKFWAKTNK-DLBZAZTESA-N 435.550 1.337 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=C)Cl)CC1 1705651109 JVVKKXBZEAKQMO-UHFFFAOYSA-N 446.964 1.988 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705665756 CRPYWBIQJDXMNZ-AZUAARDMSA-N 448.637 1.560 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1705739421 FXMPZJRAHKWTTD-UHFFFAOYSA-N 445.568 1.377 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705806760 LTBRWWKVRBOBDJ-QVKFZJNVSA-N 429.525 1.400 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1705810594 BRHORMNVHQVVBQ-UHFFFAOYSA-N 438.540 1.455 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCS(=O)CC1 1705899575 YEWDYUNTGQCXGK-UHFFFAOYSA-N 438.351 1.579 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1705900242 VUHUHVBGBUSPHV-UHFFFAOYSA-N 444.561 1.610 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCc2nccs2)n1Cc1ccc(C#N)o1 1706857478 AJEXFEXKUNPXLD-GFCCVEGCSA-N 435.535 1.537 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1711203938 SGIPIFLWKNTKQN-UHFFFAOYSA-N 448.618 1.736 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)N(C)C 1722421558 RJVJPXYBZRTOOH-UHFFFAOYSA-N 431.518 1.669 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1NC(=O)CC1(C)C 1722423478 DLJKRCTWGDHOPT-IBGZPJMESA-N 441.532 1.963 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)c2ccccc2F)CC1 1722430059 VUYSEAWNRZUIFS-UHFFFAOYSA-N 441.555 1.837 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N2CCOCC2)C1 1722711132 APTVVSMTHZPDJN-SFHVURJKSA-N 426.521 1.679 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722737201 WWQDWDVMPGWBCV-BRWVUGGUSA-N 426.539 1.115 30 10 IDEE CN(C)CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1729339507 WXQUGGBZULJFJS-VQTJNVASSA-N 440.548 1.890 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)C[C@H]1O 1729782746 LUCJASXPUGEFLL-WOJBJXKFSA-N 449.515 1.543 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCOCC1 1730323053 FVQDQUHNKUYNEG-HXUWFJFHSA-N 431.468 1.849 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1730996262 FZTTXUMTIHZHNQ-XLIONFOSSA-N 447.586 1.698 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1740550704 JKFHMKNQLCGOMD-OCCSQVGLSA-N 443.982 1.832 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1740555333 GOHWEDJWLMHHIN-LTFJSZEESA-N 425.518 1.618 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740670214 NJNVOUQKNKENFR-QGZVFWFLSA-N 428.537 1.886 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740880563 IMXFLSHTGGKBNC-LJQANCHMSA-N 446.596 1.796 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1743409939 LHDPNZQAXSJYIX-FQEVSTJZSA-N 439.564 1.890 30 10 IDEE CCN(C)C(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1 1745885492 FRIPUKPDJUMYOY-UHFFFAOYSA-N 444.565 1.456 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1747193143 QIJCLZGOILFVAW-LJQANCHMSA-N 437.548 1.928 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1748750651 LXMNBCYVPZVTRI-LJQANCHMSA-N 436.564 1.828 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748812643 YOLUZMBOVTYDLW-JZXOWHBKSA-N 432.550 1.423 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1748891751 FHUOJJGUMZILEZ-QGZVFWFLSA-N 431.587 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCc2cnn(C)c2)CC1 1749010626 OFQMWFUUJDTGKV-UHFFFAOYSA-N 434.548 1.616 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1749039895 DYESTWHVHYNDAE-SFHVURJKSA-N 429.571 1.257 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1749116076 ZNHRZGOTZFBCBD-IEBWSBKVSA-N 430.553 1.600 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1749213325 IXIIVMPKTUFRIX-ULQDDVLXSA-N 428.603 1.400 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749218835 ZCLAQTWPLLPXKE-MRXNPFEDSA-N 428.493 1.912 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 1749268823 HQGRQEFXXBNXSF-OAHLLOKOSA-N 447.989 1.616 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1)C1CC1 1749519644 ONFIYUVQMHBELY-ZWKOTPCHSA-N 439.582 1.725 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1749658316 NMAMGIJOUPWLEK-FQEVSTJZSA-N 432.912 1.611 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(COC)CC1 1749665994 DKUNOWVSGCMNRS-UHFFFAOYSA-N 449.515 1.277 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749729786 SBKKEDJPWZBZPY-LAUBAEHRSA-N 447.561 1.715 30 10 IDEE COCCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1750039207 POLPIDWBYJMXIW-QFIPXVFZSA-N 442.495 1.916 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)CCOC1 1751025283 APJKDXOAEQATFC-LVCYWYKZSA-N 435.525 1.243 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1751094666 MQMAAJHIQUVLKG-XDNAFOTISA-N 436.582 1.725 30 10 IDEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1751131302 DPSVIFJRQCUCKM-KFWWJZLASA-N 433.513 1.213 30 10 IDEE Cc1coc(C)c1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1751736474 DQYHPOBVUIGWRZ-GOSISDBHSA-N 448.549 1.609 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3(O)CCO[C@H]3C)CC2)c1C#N 1751827170 CLEUYEMWQAXEAA-KSFYIVLOSA-N 442.568 1.356 30 10 IDEE Cc1nnc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)s1 1751864381 QEAHFJDUBVFZNY-RYUDHWBXSA-N 426.572 1.277 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1760135129 JQGNUBPGINDNBQ-UHFFFAOYSA-N 433.534 1.823 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760188279 OHEVPIFAHYZVAH-GUDVDZBRSA-N 437.610 1.877 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1760190710 USSYDKPLAUZSHM-KRWDZBQOSA-N 444.605 1.764 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CC(OCC)C1 1760202291 YXAXXCOUCMBSOW-UHFFFAOYSA-N 432.484 1.597 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1760204596 WGIIARVEQJZPMM-GHVJWSGMSA-N 444.495 1.477 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760219547 HNQQJYUNLZOYAL-IAGOWNOFSA-N 449.577 1.556 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCCNC(C)=O)CC1 1760268764 XSZMZVMBHOIMSY-UHFFFAOYSA-N 426.496 1.576 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nccs2)C1 1760272384 IOTLZNHJRXPUAD-HNNXBMFYSA-N 432.575 1.915 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760284237 JKRXFTFOJXPXBH-UHFFFAOYSA-N 439.589 1.031 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760315557 GMXKVBVFZBVUKB-BDTNDASRSA-N 432.613 1.799 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760326975 AORAUFCOPGZNMZ-AZUAARDMSA-N 448.568 1.370 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760358202 SIXFZQSYZBBAMJ-HMXCVIKNSA-N 446.596 1.364 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1760450164 FKQIZHWCKLRFKR-GOSISDBHSA-N 440.552 1.615 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760520117 YVXQQUHZIZMKIY-SFHVURJKSA-N 434.504 1.159 30 10 IDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760533199 CHOMEPHIYSBYDG-SFHVURJKSA-N 426.521 1.984 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760556931 UMDRYHFSDZBVHJ-OAQYLSRUSA-N 447.536 1.468 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760565826 FRIIESIRNWVJCA-ZBFHGGJFSA-N 427.596 1.156 30 10 IDEE Cc1nccn1CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1762348458 RXEHAKHADMLMFO-QGZVFWFLSA-N 435.492 1.640 30 10 IDEE CCC1(CC)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762497372 YCJHTEDDSYIUIS-UDJKBAMHSA-N 441.536 1.772 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@]2(CCCOC2)O1 1763081390 GQKINFXDHBPHSS-KKSFZXQISA-N 445.545 1.636 30 10 IDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1765031124 CTPYSJHUGTZEDT-IDTVMJBPSA-N 427.509 1.380 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765254038 LBLIKBZZLJPTEP-ZJYNUGOYSA-N 425.493 1.425 30 10 IDEE CCC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1765552964 HWBAOPVSWAXLDR-GOSISDBHSA-N 440.552 1.825 30 10 IDEE COC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1767929823 GQVBMODDYSDFDZ-HNNXBMFYSA-N 439.520 1.995 30 10 IDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768107243 IOKGGKYKJJTAMN-XUTLUUPISA-N 435.488 1.816 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC[C@@H]2CCCO2)C1 1770727433 MGXLHCSFSLQFJW-KKSFZXQISA-N 443.483 1.953 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1771368880 LGXBIQXDONKXQX-SFHVURJKSA-N 429.550 1.040 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1771530239 FUNLJRTUDLCNAL-AUUYWEPGSA-N 437.472 1.873 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1771564818 WHGDLFBCIWROOK-VUAZUDAXSA-N 440.426 1.525 30 10 IDEE O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)ON1C(=O)c2ccccc2C1=O 1772789997 ILCITHQSNZZJSS-UHFFFAOYSA-N 446.437 1.271 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCO[C@H](C#N)C1 1850781089 ZIUAFRMQFMKOCB-NXEZZACHSA-N 425.816 1.777 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1853715700 CZCNXQPODNAALH-MRXNPFEDSA-N 425.938 1.045 30 10 IDEE CC1(C)C(=O)N(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1854457345 QSSUXSLTCWCSDO-UHFFFAOYSA-N 427.482 1.775 30 10 IDEE COc1ccc2ccccc2c1CCC(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854722018 DVRMKRYDXFINAB-OAHLLOKOSA-N 429.498 1.694 30 10 IDEE C=CCN1CCN(C(=O)CCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C(=O)C1(C)C 1856359285 MVQNSTYUQYPYJB-QGZVFWFLSA-N 436.578 1.428 30 10 IDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1857235354 IXBFSJDLVJBGMT-ROUUACIJSA-N 430.574 1.937 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCCNC=O)ccc1O 1862594503 UUNVYHLOINSXSQ-LJQANCHMSA-N 426.425 1.821 30 10 IDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870558399 BXCFVKXLXUNHJN-UHFFFAOYSA-N 444.532 1.147 30 10 IDEE C=CCn1nc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(I)c1C 1871329412 ARDXMUILEGCLKM-UHFFFAOYSA-N 446.270 1.882 30 10 IDEE C=CCn1c(C(=O)NCc2ccccc2F)cc2c(N3CCN(CCO)CC3)ncnc21 1873595432 CEOPOCDNCLBMQZ-UHFFFAOYSA-N 438.507 1.801 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN3CCOCC3)SCC(=O)N2C2CC2)cc1 1889236265 SOZKDBHDZZORIX-FGZHOGPDSA-N 443.569 1.295 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1914904062 VTQWFPSKNXBNJC-GOSISDBHSA-N 438.509 1.322 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1984997281 YSTLXPZZRKLFPF-HUUCEWRRSA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)N=[S@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2006228190 LXXIRHMTTYVBGK-QHCPKHFHSA-N 446.389 1.790 30 10 IDEE C=C(CNC(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1)B1OC(C)(C)C(C)(C)O1 2254014340 PRRLUWMBPYVSPB-JYJNAYRXSA-N 438.330 1.694 30 10 IDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254752711 SSLOQTUYWHWHQW-ZDUSSCGKSA-N 440.277 1.965 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255655819 RMOUVPMDVMPVAD-CQSZACIVSA-N 434.346 1.706 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255697620 JRKSQMYOUZOLNQ-CQSZACIVSA-N 432.330 1.857 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCC1 2255844335 VFYVOQRXGKKBRQ-UHFFFAOYSA-N 432.330 1.953 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)nc1B1OC(C)(C)C(C)(C)O1 2267184368 UPFHXRHIRUYEPO-CQSZACIVSA-N 445.329 1.304 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 2267263125 AXLNMSCIQYMCLZ-KGLIPLIRSA-N 449.361 1.538 30 10 IDEE CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267489384 XLYYNBHRBVTKIA-FOLVSLTJSA-N 446.357 1.797 30 10 IDEE COc1ccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2267579386 RLPVOIJFAVIGRR-UHFFFAOYSA-N 442.243 1.745 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268631729 BVRUIIOQXMINTG-CRAIPNDOSA-N 448.369 1.919 30 10 IDEE CC#CCN(CC(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2300538622 HEDKZTGPPWKCNG-SJORKVTESA-N 439.553 1.981 30 10 IDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccn1C 2329012556 DTNKVICVYFGINW-HNNXBMFYSA-N 431.566 1.841 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cn(C)c2ccccc12 2330742785 UDKHFEFITAWZFL-UHFFFAOYSA-N 427.534 1.906 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CNC(=O)OC(C)(C)C 2337199209 SJOHHVPCIUXVKG-KKUMJFAQSA-N 446.357 1.705 30 10 IDEE Cc1cc(C)nc(N/C(=N\C(=S)NCc2ccco2)NCCCN2CCOCC2)n1 14158379 HIHSDMYGHZPDLX-UHFFFAOYSA-N 431.566 1.841 30 10 IDEE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccc3c(c2)OCO3)CC1 254721664 HBHYYUSKFJITMM-UHFFFAOYSA-N 447.473 1.706 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CCC1 430964444 FBMKWWAPPMSSMS-UHFFFAOYSA-N 445.548 1.946 30 10 IDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1 473375036 RRKJKUIYIYWUCB-LJQANCHMSA-N 435.484 1.996 30 10 IDEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)c(OC)c1OC 507577555 JODGICKJMVIFAL-UHFFFAOYSA-N 432.502 1.486 30 10 IDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508914014 RGBRRIZGYZOYDS-RCDICMHDSA-N 436.472 1.796 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 514645414 LMPKQKYWPOVQBK-INIZCTEOSA-N 429.929 1.547 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)c(F)c1 523235267 RHCDJTUDYCCZBG-UHFFFAOYSA-N 437.475 1.821 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 523919144 AEDOKGPLRNRPBS-OAQYLSRUSA-N 426.565 1.328 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2)n1 545504857 GNEQNFCEBLBAEQ-UHFFFAOYSA-N 426.502 1.847 30 10 IDEE C[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 557747384 OZSLIQBOTRJRKK-MRXNPFEDSA-N 427.530 1.656 30 10 IDEE COCCNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(C#N)c(OC)c2)c1 562241531 YFQMNCUIZMWOCR-UHFFFAOYSA-N 432.502 1.491 30 10 IDEE C=CCOc1ccc(NCC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1-n1cnnn1 586322622 LTCPISDMIREEPT-HNNXBMFYSA-N 428.478 1.981 30 10 IDEE COc1cc2c(c(OC)c1OC)CCN(C(=O)C(=O)NCc1ccc(C#N)cc1F)CC2 586864087 KFZOQBFGCJNPQD-UHFFFAOYSA-N 441.459 1.967 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C 603799362 MNHXZXDTBBXZHG-UHFFFAOYSA-N 434.521 1.258 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 604545552 BUXNNSRPLQQHNT-QGZVFWFLSA-N 435.465 1.915 30 10 IDEE N#Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOC[C@@H]2C2CC2)C[C@H]2CCCO2)cc1 611220345 WFYWEONTECPICL-UYAOXDASSA-N 433.530 1.365 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 670222207 NQXBKOPVTQFGDA-AZUAARDMSA-N 443.596 1.469 30 10 IDEE COc1cccc(N2CC[C@@H](CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 726563539 BVAKHCYUZFGOLX-INIZCTEOSA-N 442.541 1.767 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1 729668247 CXVPREXRQCGADQ-UHFFFAOYSA-N 429.505 1.576 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(CC)c1 730137695 HJHCPXZQQRGESB-CRAIPNDOSA-N 447.605 1.773 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@H]2CCCO2)C1=O 730144714 RFOFBJHYRQCTQQ-OKMZTDLNSA-N 433.578 1.171 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C#N)cc1F 739948574 APLIJLOLABSXEI-UHFFFAOYSA-N 440.497 1.397 30 10 IDEE COc1ccc(CNC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1C#N 747331308 SJGWPZLJTHLWTE-GJZGRUSLSA-N 426.477 1.721 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)c[nH]1 753359394 QUOZFECJBHMGOQ-CQSZACIVSA-N 443.525 1.322 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C1CCCC1 756911456 JQDCALROXZOYID-UHFFFAOYSA-N 433.574 1.796 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 758075163 DSNQETCVEVOCIV-UHFFFAOYSA-N 426.501 1.872 30 10 IDEE CN(C)C(=O)COc1ccc(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 761888909 TVDVNKXMALAILX-UHFFFAOYSA-N 441.469 1.442 30 10 IDEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCC(=O)N2CCC3(CC2)OCCO3)cc1 769842262 LFPCWOPVFOAGBP-UHFFFAOYSA-N 448.520 1.714 30 10 IDEE C#CCN(C(=O)NCCCc1cc2c(OC)cc(OC)cc2[nH]1)[C@H]1CCS(=O)(=O)C1 774245497 OROUWIMDGGTEHJ-INIZCTEOSA-N 433.530 1.950 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774261659 JHPCTJUTSRAXHI-QBIMZIAESA-N 441.912 1.583 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1 780210746 TVLDVNLLDAKKLO-HXUWFJFHSA-N 439.493 1.963 30 10 IDEE C[C@@H]1CC[C@H]1N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 795183875 MRQWKFNZTSOZJS-ZTFGCOKTSA-N 445.589 1.974 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC)S/C2=N/CCc2ccccn2)C1 797814593 GYRZTSCGTKMDBE-AXXBYZCTSA-N 432.546 1.792 30 10 IDEE N#Cc1cnc2c(Br)cccc2c1NCCS(=O)(=O)N1CCOCC1 799320036 WUHRZDNXZIIZHR-UHFFFAOYSA-N 425.308 1.943 30 10 IDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2CC2CN(S(C)(=O)=O)C2)c1 803196704 LJZQONQYMHWTLH-UHFFFAOYSA-N 428.543 1.450 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3ccc4c(c3)OCCO4)CC2)o1 915383224 SPROUHMBPVSGJD-UHFFFAOYSA-N 440.456 1.451 30 10 IDEE Nn1c(NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)Nc1nccs1 1084299615 HGWJXNAFOBLHFH-UHFFFAOYSA-N 435.451 1.239 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C3CCOCC3)C[C@H]2C)s1 1139339470 LHPYPBATTJZSFY-OAHLLOKOSA-N 427.592 1.467 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)cc1 1140994839 WGNWXLZOPGZISY-MUUNZHRXSA-N 442.559 1.067 30 10 IDEE CN(C)c1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1Cl 1141411529 APQNVICSMKSVMZ-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1154959390 RYYMNXSRJNZXRQ-NRFANRHFSA-N 429.586 1.790 30 10 IDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)cn1 1156661868 MMOLJTYYJUSELX-UHFFFAOYSA-N 440.481 1.961 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OCC 1176173344 OTMXCLXWDJDXHQ-AWEZNQCLSA-N 425.438 1.810 30 10 IDEE C=CCn1cc(CNS(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)nn1 1212241359 IEZZETAZYKBPLR-MSOLQXFVSA-N 433.534 1.979 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1286273265 DHMBJBSHUYJONJ-JTSKRJEESA-N 427.553 1.949 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1286337138 XGRSLZKKXRAMIR-UHFFFAOYSA-N 427.553 1.588 30 10 IDEE C#CCCCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286355238 IDKXYINGIFIXLJ-UHFFFAOYSA-N 426.565 1.584 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCN(CC)CC1 1286369477 RPRUIQSERPQOLX-GOSISDBHSA-N 448.575 1.287 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H](C)c2ccccc2)CC1 1286471345 JEJMKWUFJNOSJY-MOPGFXCFSA-N 444.605 1.837 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCOC[C@H]1OC 1286718476 KXNJTAGENQYGMI-PKOBYXMFSA-N 449.577 1.869 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1286818023 AVBBPHLRKAJSTG-UHFFFAOYSA-N 438.554 1.115 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1287113847 OSFLNJBXPUCIIU-HTXNQAPBSA-N 429.525 1.233 30 10 IDEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1295019151 CJLSECIPXBUUGA-INIZCTEOSA-N 437.518 1.074 30 10 IDEE COC(=O)[C@H](CC(F)(F)F)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1296114248 WBEDIJKDPHOVMK-ZDUSSCGKSA-N 449.451 1.896 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC(F)F)CCOC1 1296651306 OMBKIGYMNLJNIT-JXFKEZNVSA-N 440.495 1.736 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](OC)C2)C1 1296964381 FDCYZQQTVYZPLZ-FLPIEVNYSA-N 427.505 1.884 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1297695495 HAUSMAJFDFDINO-SFHVURJKSA-N 444.561 1.604 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1298690671 SKGRRDSBFCOYDS-YCRPNKLZSA-N 435.480 1.270 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)n[nH]2)c1C 1300293903 XCNJCERJAYSEOC-UHFFFAOYSA-N 432.481 1.793 30 10 IDEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424858 NNKUGMIRLBOMBJ-JTAQYXEDSA-N 431.581 1.889 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1300475060 CSXODMLYIJSQGN-MRXNPFEDSA-N 433.534 1.359 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300484116 RGOXOYPUDTVODV-FXAWDEMLSA-N 447.517 1.641 30 10 IDEE COC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1301026386 LWQDRXCPRLEONX-SJORKVTESA-N 446.502 1.985 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301236973 LSXPYNHCUPXQKB-LJQANCHMSA-N 432.569 1.408 30 10 IDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1301344043 WGVYKGLWWDSWPS-YSIASYRMSA-N 427.505 1.741 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(C)c2)C1 1301477680 CVNSJJJSKFGKRB-WMZOPIPTSA-N 446.577 1.493 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1[C@H]1C[C@H](c2ccccc2F)C1 1303865695 CRSNBLGRCNOENC-KLHDSHLOSA-N 448.524 1.875 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1305629538 UHVXZWNJFZOLLP-WAIKUNEKSA-N 435.532 1.838 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1307818416 FWIPSYUTYWHCHU-WBVHZDCISA-N 431.541 1.891 30 10 IDEE Cc1ccc(S(=O)(=O)C2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 1308049189 CMKWVDJNIXCLGY-UHFFFAOYSA-N 433.555 1.974 30 10 IDEE CN(C)C1(C)CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1313179496 JPNXUUBFFFVULX-UHFFFAOYSA-N 433.578 1.837 30 10 IDEE CS(=O)(=O)C1CCC(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1313302109 QMOGWODHCGEPEU-UHFFFAOYSA-N 435.550 1.859 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1315002653 FKUDBIBAONWIEU-LJQANCHMSA-N 440.504 1.107 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1315054871 SDVVZAXBLDWHBV-NRFANRHFSA-N 425.493 1.084 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315096013 GYRKKJJMAHRHIH-DXQAYGFFSA-N 428.493 1.461 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)NC(=O)NC1=O 1318203308 QRYURIVTTWFRMG-JOCHJYFZSA-N 433.472 1.040 30 10 IDEE C=CCO[C@H]1CCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1323771230 JAFFKLRXJLCSRX-QHCPKHFHSA-N 444.576 1.759 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCS1(=O)=O 1358896794 MGUVMZWHXZWEMY-GOSISDBHSA-N 431.562 1.967 30 10 IDEE C#CCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1358936848 ZMDMVEIYWAGBHV-CEXWTWQISA-N 444.580 1.983 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1358962807 XPIJYKIOEVBSNY-SFHVURJKSA-N 429.546 1.868 30 10 IDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1359076923 PFSKZVRXWWHJPH-UHFFFAOYSA-N 429.363 1.195 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1359281945 NNGSTPCACBYTBQ-GJZGRUSLSA-N 432.637 1.668 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1359286830 VJQOMNBFGOQKRI-SFHVURJKSA-N 429.569 1.234 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359305263 XTKQMNMOSRBRIY-HNNXBMFYSA-N 446.939 1.905 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2conc2COC)C1 1359312361 SXQKRBXDHWTFLT-MRXNPFEDSA-N 439.476 1.889 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1359554626 QPDACWSWYWNDDX-IRXDYDNUSA-N 432.525 1.768 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1360038157 BXGHQTMFCCFFKK-SQNIBIBYSA-N 438.598 1.133 30 10 IDEE CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1439654043 HWBPKVGOYRLIOY-SFHVURJKSA-N 432.546 1.332 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](Cn3ccnn3)C2)n(Cc2ccccc2)c1C 1460468205 RFUDDNHSVIUWBF-FQEVSTJZSA-N 433.516 1.956 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 1464113898 RUXMSNFWFQJSHD-IAGOWNOFSA-N 440.587 1.502 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1464928429 XSWUGMJARZVNMN-KMRQPCFGSA-N 438.484 1.678 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)CC1 1466307745 ALHLHSBERZAAQN-UHFFFAOYSA-N 431.493 1.813 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1503799453 DCZMLGXXEWUJPJ-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507517070 FUDMNIPLPUCVRI-UTKZUKDTSA-N 428.558 1.756 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1507633153 BVCCITLRFIMNOY-MRXNPFEDSA-N 437.591 1.686 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507644403 GUMKKFACKNTMHV-JOCHJYFZSA-N 448.571 1.969 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1507653901 SQIDMCFVYHPKSV-OAQYLSRUSA-N 433.560 1.462 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCC1 1507654686 PHLUKRDKELEPMW-UHFFFAOYSA-N 438.557 1.745 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OC(F)F)c2)CC1 1507715491 BTTLRRWETSHBTL-UHFFFAOYSA-N 445.474 1.314 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@]2(C)COCCO2)n1 1507716126 GZIQQOKXQAWFCJ-XMSQKQJNSA-N 444.536 1.070 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1507743065 YEVIGZQFGMNRER-FQEVSTJZSA-N 443.640 1.468 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)N(C)C)C1 1508113467 YMXLZXBFIIHZAA-MRXNPFEDSA-N 435.550 1.626 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCOCC2)C1 1508132446 UQAMCKUPFIPCRK-HXUWFJFHSA-N 429.569 1.643 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1508160934 JQWVAMCBYPAXAD-AWEZNQCLSA-N 448.636 1.113 30 10 IDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 1532869770 QONYKYVPMMRXNY-UHFFFAOYSA-N 433.490 1.785 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn(-c3cccnc3)nn2)c1 1534105633 BLEVVSIXBGGXDF-PTGBLXJZSA-N 425.474 1.727 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1539223215 ZMVBHNDVTRPAKS-QUCCMNQESA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOCC1 1539306916 MOGBMAVIKWYHSF-UHFFFAOYSA-N 445.531 1.106 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCc1ccco1 1539405760 KWWQAKQODZUXIJ-UHFFFAOYSA-N 437.456 1.669 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2nccs2)CC1 1539446263 AMXFKKNCQWTIKI-JKSUJKDBSA-N 434.591 1.196 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1539514159 WIJQLZIWUHVKLA-UHFFFAOYSA-N 428.562 1.686 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539592567 HAJPKROQRXKTPH-CYBMUJFWSA-N 447.297 1.116 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1540200942 LPVGLKGFTPIIGU-ZWKOTPCHSA-N 448.593 1.902 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540873638 FHAUXUKRBCZKTH-KRWDZBQOSA-N 442.520 1.479 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2F)C1 1540882800 OMYBBKJKMVCMLV-CZUORRHYSA-N 441.504 1.996 30 10 IDEE CC(F)(F)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1541896471 DRSYICLFTGCDCS-AWEZNQCLSA-N 432.497 1.396 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-n3ccnc3C)nc2)s1 1544831279 IHGYTDXCILRJRL-UHFFFAOYSA-N 431.543 1.960 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1554420401 FQVNRTIYDFBSIZ-SFHVURJKSA-N 447.499 1.689 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1555671996 TVCRJHOOPPUWAP-FPDPHYFHSA-N 433.484 1.778 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1555995273 CUPKXMSAWSNLOC-RJCBAWPRSA-N 425.493 1.438 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccno4)CC3)CC2)cc1 1558079008 OISUISHBSYLFTB-UHFFFAOYSA-N 443.529 1.291 30 10 IDEE COC(=O)[C@H]1CN(CC(=O)Nc2sccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1560175104 GUOYVFRULOFHNC-CQSZACIVSA-N 434.518 1.900 30 10 IDEE CC(=O)N1C[C@H]2CN(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)C[C@H]2C1 1562230093 KJEFXTBQPOLWTM-YIVFIKFXSA-N 433.534 1.441 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1566231725 WOTYUZZLHDYBMP-QVKFZJNVSA-N 438.525 1.720 30 10 IDEE C[C@@H]1CN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)CO1 1584189166 BDQUBIXPUSBRPJ-IAGOWNOFSA-N 434.562 1.184 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCCS(=O)(=O)C2)c1 1587692677 IBCFDKOUVFCBGU-QGZVFWFLSA-N 429.546 1.722 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1587754526 HOZUQYFIGQSXMI-QGZVFWFLSA-N 435.488 1.349 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1=O 1587956128 LCQQPVJIDOWSBN-HSZRJFAPSA-N 435.459 1.813 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588205968 YNLDRWXAPZOVBG-IBGZPJMESA-N 425.558 1.998 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588779724 AJNIXZUJRQEVGN-OPAMFIHVSA-N 445.951 1.902 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1588813686 ZJNKJCWKEDEPCC-IBGZPJMESA-N 440.523 1.415 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2([S@@](C)=O)CC2)CC1 1588865594 YAWWDIVYSMPOHD-SSEXGKCCSA-N 427.574 1.832 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2C[C@@]2(O)CCOC2)CC1 1588872024 VVMKBBMBCYJYPD-QHCPKHFHSA-N 441.532 1.162 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1589493478 HOLXDTDJSJDVFP-BDXSIMOUSA-N 441.598 1.731 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1594569146 ZQYGSBALQXKPFR-KFWWJZLASA-N 426.543 1.179 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C(C)=O)CC2)C1 1595722163 JGDJVRCIPRCCBI-VQTJNVASSA-N 432.569 1.465 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1595838729 YYCAGDGORMTHPR-UHFFFAOYSA-N 443.577 1.693 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1598062993 OBPHJHLNFALVFS-SFHVURJKSA-N 444.561 1.602 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)ccc1F 1603411650 UMGBXKZAJBVBQL-CQSZACIVSA-N 436.465 1.538 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)C1 1611769175 LPSMVAHYXMGKFT-CVDCTZTESA-N 443.596 1.767 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)c1 1613398975 OVWAIUXBSSHJET-ZDUSSCGKSA-N 433.515 1.139 30 10 IDEE CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C1CC1 1618968144 NVFDWAMTBJMQTN-KRWDZBQOSA-N 425.493 1.376 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)c1 1619353991 AAHNVRUPSAVYGE-KRWDZBQOSA-N 431.518 1.507 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=NN3CCCN=C3N2)c1 1625037096 SPDMGRKFROCSBN-LFVJCYFKSA-N 431.522 1.197 30 10 IDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1626676774 GGWCSQDUZIWBCP-SFHVURJKSA-N 433.921 1.714 30 10 IDEE C=CCC[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)C(=O)OCC 1627752666 SIAMKUMPNHAFJU-ZDUSSCGKSA-N 426.520 1.910 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1628907842 XTANFJRQQROLLR-BBRMVZONSA-N 437.566 1.836 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)c1 1630546778 OSIVFTONMDBMKK-QHCPKHFHSA-N 445.516 1.717 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)N4CCN(C)CC4)CC3)n[nH]2)c1C 1632820454 QKGBRZUGKMKZAG-UHFFFAOYSA-N 440.552 1.201 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1633555418 XTEIUODTMIIJJX-YSSFQJQWSA-N 440.566 1.603 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(c3ncc(Br)c(OC)n3)CC2)nn1 1636330745 LBYNMGFNJPIDNM-UHFFFAOYSA-N 437.302 1.057 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1637032980 FLRKXEICMNQILJ-HNNXBMFYSA-N 441.554 1.571 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)C1=O 1639967413 DGSJXWOGZVUZHO-DLBZAZTESA-N 441.484 1.547 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 1640924617 PSRWMLIUZIZURQ-UHFFFAOYSA-N 438.531 1.700 30 10 IDEE N#CC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 1645935534 ZZALUKNLLQJBHO-KGYLQXTDSA-N 425.816 1.425 30 10 IDEE C[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1(Br)Br 1648028844 PQEAAMDSVPSVMC-GFCCVEGCSA-N 432.072 1.100 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCC2(CCOCC2)O1 1648093839 KCJGRTNJOVUWIS-WMZOPIPTSA-N 449.573 1.984 30 10 IDEE Cc1cccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C 1648155862 PVMJKLNRVZHTBX-OXJNMPFZSA-N 430.555 1.978 30 10 IDEE CCOC(=O)[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[C@@H](O)c1ccncc1 1648266224 GVKVFOXBQZPGTM-DBVUQKKJSA-N 426.448 1.700 30 10 IDEE O=C(CN1CCOC2(CCS(=O)(=O)CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 1648631763 PKARUMATIZOJMF-UHFFFAOYSA-N 444.475 1.453 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(CC)c2-c2ccc3c(c2)OCO3)C1=O 1649432370 ZDEKAVDQLQAELI-UHFFFAOYSA-N 425.401 1.283 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC(O)(c3ccc(Br)cc3)C2)CC1 1659578580 NHSQEQYYJJTGGR-SFHVURJKSA-N 435.366 1.645 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1660460168 WIBAYSBMSGBRLB-UHFFFAOYSA-N 433.452 1.160 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CC1 1667162432 YFMKNSSWKNDYRX-UHFFFAOYSA-N 438.403 1.384 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br)C(=O)OC 1669658301 WMCQVINDAXODME-LLVKDONJSA-N 438.683 1.732 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1671495608 USYQISMIOAQQCJ-WOYTXXSLSA-N 435.525 1.912 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(COc3ccccc3)cs2)CC1 1673431182 OXYGXKYVSJLPFI-UHFFFAOYSA-N 435.531 1.339 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O 1680685605 MFYRLPMTCVPPSV-CQSZACIVSA-N 430.324 1.602 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1)C1CCOCC1 1684188735 VYHXYVQTJBWCCA-PMACEKPBSA-N 431.558 1.981 30 10 IDEE C#CCN(C(=O)NCc1cn(CC)c(=O)nc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1685759971 YPIUXSYTBBNMMM-UHFFFAOYSA-N 433.509 1.513 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689827382 DIDPLBXJAWDDLT-AVYPCKFXSA-N 436.509 1.565 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O 1689841698 MJWVZCKPKHDRGU-OAHLLOKOSA-N 433.534 1.456 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1689852163 BKPOKJNAIOVGKU-HZPDHXFCSA-N 433.534 1.360 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O 1689861317 SSRBQTFOIIXKQN-CPJSRVTESA-N 449.603 1.579 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1689937170 QWTGJVAGSFEBRA-INIZCTEOSA-N 444.561 1.659 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1689984904 XVCNHCSRYMOHTL-KRWDZBQOSA-N 441.513 1.925 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689991280 ZDVFDGAXEYFTOC-PMACEKPBSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCOCC1 1690012170 SWDHOCQFXIAFOZ-UHFFFAOYSA-N 443.511 1.486 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1690124998 YKMSODSYLNYDEG-UXHICEINSA-N 448.637 1.056 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H]2CCOC2)CC1 1690137733 HOWAWASYVUMVFO-WZONZLPQSA-N 445.564 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2nnc(C)s2)CC1 1690143743 AIVDUWLNTXMABO-UHFFFAOYSA-N 437.533 1.104 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCSC2)CC1 1690152746 WREPOUXUFOZIDH-SFHVURJKSA-N 441.605 1.859 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690169583 HJDSQSLVKWWSOR-HXUWFJFHSA-N 442.637 1.650 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690230067 PYZKMLMGODKNGD-UHFFFAOYSA-N 425.331 1.020 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cncn3)nc2)CC1 1690364177 LGGULVLKEBSPBQ-HNNXBMFYSA-N 443.537 1.069 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)nnc1C(C)(C)C 1690678402 VHGNOZYICMIFEZ-CABCVRRESA-N 428.541 1.382 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690714783 UZEGOOYZYCXZGM-IXDOHACOSA-N 425.555 1.335 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1690995988 SEEHSMUAJITLLP-PBHICJAKSA-N 444.561 1.859 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCn2ccnc21 1692781193 CEBCWIJHHLDTCY-WBVHZDCISA-N 446.581 1.792 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(C)CN(C)C2=O)c2ccccc2c1=O 1695902630 QCBPIQUEKJXIAR-NPMXOYFQSA-N 448.531 1.892 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1=O 1698253941 GJPRXNIHQDYFFJ-SCTDSRPQSA-N 432.525 1.133 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CC(=O)NCC(F)F)cc1 1698487699 XAWNLPSQAWKKBP-ZIAGYGMSSA-N 432.387 1.312 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1705491269 AJHIUJNKQXUSEK-KKSFZXQISA-N 427.578 1.778 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705516078 TZPVWZGVUWHNRM-QGZVFWFLSA-N 426.481 1.979 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1705551278 KPDNKVPMRFEFIN-VQIMIIECSA-N 443.573 1.826 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705580064 CJUHEQINCSWFTB-ROUUACIJSA-N 433.495 1.154 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1705632673 YEZXOSOEAJMAHR-MRXNPFEDSA-N 441.502 1.056 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CC1 1705637096 JECXDIAAJXKMHX-UHFFFAOYSA-N 431.422 1.250 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1705638141 AGMNLLMNWHVTCC-VQTJNVASSA-N 427.597 1.352 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN2CC)CC1 1705649574 BAHFCZBBKMCUQS-NRFANRHFSA-N 435.576 1.714 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCSC)CC1 1705651014 GMIQKURGNABCLQ-UHFFFAOYSA-N 432.594 1.510 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705662789 LMVUOXVBKVIFKY-JOCHJYFZSA-N 426.590 1.931 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@]1(OCC)CCOC1 1705893513 LHDDQRJUMVEIFH-KPLVRAHFSA-N 432.569 1.105 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705904850 AHGKWIWABRVFOQ-MSOLQXFVSA-N 438.532 1.427 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccco1 1706162224 UTWRINBVWJMJBK-IAGOWNOFSA-N 444.492 1.957 30 10 IDEE CC[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1708335063 POHWJWMMPVWXKC-YJXLLHPSSA-N 434.541 1.939 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CCOCC2)CCOC1 1710484883 WNKQLGYZVCUAKX-UGKGYDQZSA-N 449.552 1.492 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1712593671 FGITVVBVMOALBH-GOSISDBHSA-N 433.534 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN(C)S(=O)(=O)CC 1722297658 LZXRACSSIDLKQF-KRWDZBQOSA-N 443.577 1.646 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722366404 IQBFZOXIZJEISF-VQTJNVASSA-N 449.621 1.675 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1722367570 MNIUXUAMPYFKPE-KRWDZBQOSA-N 440.591 1.163 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722367792 XUJCXPPVYNTLHU-NZSAHSFTSA-N 429.546 1.316 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)OC(C)(C)C 1722386941 CDUXYZBJJDAYBG-UHFFFAOYSA-N 428.537 1.892 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1 1722532890 ZNCNULRCVLVIQA-INIZCTEOSA-N 431.566 1.995 30 10 IDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1722618681 LVCZRXJDCXTUGP-UHFFFAOYSA-N 436.564 1.741 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1722676661 HJLROJWFVJSLQY-DYESRHJHSA-N 449.577 1.075 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)NC)CC1 1722690513 JVVCTPQPWXABJA-HNNXBMFYSA-N 444.511 1.822 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](COC)OC 1727008619 AQAVTELWWKKSPN-YESZJQIVSA-N 428.541 1.830 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCO[C@H](C)C2)CCO1 1729680750 HNFQLDWGQDCCRV-UWVAXJGDSA-N 438.532 1.973 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@@H](C)O1 1730591672 DXUCVUHBCDAYDS-VQIMIIECSA-N 426.521 1.925 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1740543384 OAERUUSMLUEHCY-INIZCTEOSA-N 427.505 1.669 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCn1cccn1 1740601400 AZKVPNBXRYIBMB-UHFFFAOYSA-N 426.550 1.903 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1740610418 ZVTLUMGBTGCMJY-HZPDHXFCSA-N 425.555 1.410 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1740683922 HBPSXXVJVNAGMX-UHFFFAOYSA-N 446.515 1.543 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ncccc2N(C)C)CC1 1740704154 IUFAYMLSQMWTDS-UHFFFAOYSA-N 444.543 1.815 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740751643 NFIOLFKNWUMLKA-NJAFHUGGSA-N 446.552 1.819 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C(N)=O)c2)CC1 1740818853 WWXFINRUFXAHAW-OAHLLOKOSA-N 432.550 1.386 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)s1 1740951795 NWFNKUMWNHGFFH-CYBMUJFWSA-N 426.568 1.197 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)C)C1 1740981190 VFDFRYOLVBLWIX-OAHLLOKOSA-N 430.509 1.702 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1748466831 VQNNXIZOHXBVNO-NRFANRHFSA-N 447.561 1.883 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C(C)C 1748651762 PYCTXDZRANWFSS-QGZVFWFLSA-N 432.594 1.994 30 10 IDEE C#CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1748702973 SNCZFZCKTPCWSG-KRWDZBQOSA-N 426.908 1.549 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748717898 LENDNAODRTYLST-WIYYLYMNSA-N 439.516 1.935 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1748771322 KGIHQQPUOROIPN-JXFKEZNVSA-N 427.496 1.356 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1c(C)nc2ccccc21 1748772364 NBZUJSFWWGZWES-OAHLLOKOSA-N 429.550 1.706 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2([S@](C)=O)CCC2)CC1 1748971350 MOYPRGAGXLMVKK-PMERELPUSA-N 434.610 1.253 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC(C)(C)C)CC1 1748978588 NRYHVPSWNWFEGL-QHCPKHFHSA-N 446.596 1.379 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)OC)CC1 1748986924 MJPYZXJUJATVHP-INIZCTEOSA-N 431.566 1.028 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749677444 ZKRKFHZASOAZDB-GOSISDBHSA-N 437.504 1.635 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 1749684064 OUTJKFHDLRSJIP-PKOBYXMFSA-N 438.532 1.934 30 10 IDEE C=CCSCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1749763562 BUIPXCFJXNNMIL-NRFANRHFSA-N 447.609 1.910 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCOCC2)c1 1760192810 OIYNHOGYAKSQQU-UHFFFAOYSA-N 448.527 1.588 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)OC(C)(C)C 1760196531 PADRAGDKERYWMJ-JOCHJYFZSA-N 431.537 1.916 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1ccnc1 1760243377 HYCMFWQYPLJZDE-UHFFFAOYSA-N 433.516 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2nnc(CC)s2)CC1 1760269274 CZQYFFZHEAUFOD-HNNXBMFYSA-N 429.550 1.210 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cncn2)CC1 1760284124 GFPLSEHZLPZSPS-UHFFFAOYSA-N 428.566 1.275 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760421437 OSUWGZNCBBNFLU-GOSISDBHSA-N 443.596 1.660 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(c2ncccn2)CC1 1760526313 KPEVDEVTLJWICU-UHFFFAOYSA-N 448.531 1.584 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760528736 LAAPPKMKUGHFGM-CQSZACIVSA-N 444.458 1.327 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760533181 NDSVKTHGDUCFAM-IBGZPJMESA-N 449.515 1.690 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760556926 UJWIBFNITURLDO-WMZOPIPTSA-N 435.550 1.105 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1760558441 PADYMHJPTOZPSV-UHFFFAOYSA-N 438.598 1.514 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760559213 KOAVVCDTYOKHGK-INIZCTEOSA-N 436.582 1.163 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760713136 KFELHKXUSURGOJ-HSZRJFAPSA-N 435.532 1.838 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1763296904 YFESHDWZIIGFGG-OAHLLOKOSA-N 425.493 1.522 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2)S(C)(=O)=O 1766867996 USWVUYJNMMQBMN-OALUTQOASA-N 444.561 1.856 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2(O)CC2)c1 1766941600 MIABTFMIFSLONQ-UHFFFAOYSA-N 430.534 1.460 30 10 IDEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1768047297 MVVHCURJOIRKDQ-CVEARBPZSA-N 440.570 1.214 30 10 IDEE CN(C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1)S(C)(=O)=O 1768789048 HAZGKHNWLJSLGU-KRWDZBQOSA-N 444.561 1.449 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)F)C1 1770727161 CHZRIAUTJVXRDB-IBGZPJMESA-N 436.394 1.540 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccccc2F)CCO1 1771536908 DRCNFEKGYMKNQS-CRAIPNDOSA-N 428.468 1.818 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CS(=O)(=O)c2ncc(Cl)cc2Cl)CC1 1851726217 OYFKOTVVRZHRSY-UHFFFAOYSA-N 440.312 1.778 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CCn3cc(Br)cn3)CC2)nc1 1851840624 IVKFMUZWIHTLDQ-UHFFFAOYSA-N 433.310 1.668 30 10 IDEE C=CCN(C(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C)C1CC[N+](C)(CC)CC1 1853486135 XHYSFOSTTDGJSZ-UHFFFAOYSA-N 426.607 1.394 30 10 IDEE C=CCC[C@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)CC1=O 1855753805 MLWLXBJCKDNCLU-ZWKOTPCHSA-N 425.595 1.996 30 10 IDEE CCC(CC)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855829936 KQLSHPRHGFKXQK-SFHVURJKSA-N 432.546 1.428 30 10 IDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4nc(C)cc(C#N)n4)CC3)ccc21 1857969298 HSLLQVQDATYTIA-UHFFFAOYSA-N 440.529 1.467 30 10 IDEE COCCN(CCOC)C(=O)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869929719 LGBRPMQDQUOEFD-LJQANCHMSA-N 431.514 1.588 30 10 IDEE Cc1ccccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155507 QHNWCFDVEOZGQB-UHFFFAOYSA-N 431.368 1.590 30 10 IDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1cccc(NC(C)=O)c1 1870962669 ZLPOABHCPUWACA-UHFFFAOYSA-N 428.489 1.746 30 10 IDEE C[C@H](C(=O)Nc1c(C#N)cnn1-c1ccccn1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873681909 WJWAPEVJFZHPKP-LLVKDONJSA-N 430.380 1.460 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)cc2C1=O 1874177024 ZGNWVVQLPYAQMK-UHFFFAOYSA-N 427.438 1.546 30 10 IDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1874273334 FMABEUJUZCFIMI-GGPGUOJZSA-N 430.534 1.861 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@@H]3C#CCN(C)C)OCC(=O)N2C(C)C)cc1 1889997660 MVIOWGNLJNTAQS-WWPVKYPJSA-N 427.545 1.928 30 10 IDEE C#CCn1ncc(NC[C@@]23C[C@@H](CO2)N(C(=O)OC(C)(C)C)C3)c(Br)c1=O 2162320704 NRXGAZCXNOZRMN-KPZWWZAWSA-N 439.310 1.829 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255378778 DIQNDASXULIMTL-OAHLLOKOSA-N 431.342 1.941 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255538542 MCGXBABOFCAFFW-UONOGXRCSA-N 434.346 1.671 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2255692931 DKEUVKMTSSTZAN-CYBMUJFWSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2255819289 YSAVTJVPYBEEQL-HNNXBMFYSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2255826692 CJYOPWFRFIOQSJ-SNPRPXQTSA-N 432.330 1.837 30 10 IDEE C[C@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2255932631 DEMKPQYWZSVGKI-MRXNPFEDSA-N 448.398 1.518 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2259345124 CTXPTHUBUAZCNU-QWHCGFSZSA-N 435.334 1.147 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 2267188668 PFYOBTQBKJKXMC-RTBURBONSA-N 436.365 1.923 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@@H]1OCc1ccccc1 2267602702 QHEVAMDUDGKBSD-SJORKVTESA-N 442.325 1.218 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268641019 KYRXDGIMZHRYJP-HNNXBMFYSA-N 446.357 1.918 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286038775 KPBFIKSHCDHDOW-QGZVFWFLSA-N 440.518 1.187 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)[C@H](CC(N)=O)C1 2320262104 XUBNHYFTHBEGBX-CQSZACIVSA-N 437.346 1.936 30 10 IDEE Cn1nc(C(=O)N[C@H](CCO)COCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2320444569 DGIQNISXNMXEAH-QGZVFWFLSA-N 429.326 1.417 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)/C=C\c3ccc(OCC#N)cc3)C2)cc1 222002367 BSMPSPUWHAXGAK-WCIBSUBMSA-N 427.482 1.800 30 10 IDEE COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 254843134 ACJVMERVPWWROC-UKPHBRMFSA-N 440.543 1.480 30 10 IDEE CS(=O)(=O)CC[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 428868069 OMTNNXDQBGFCHR-QZTJIDSGSA-N 438.619 1.746 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cn1 461745477 LFOUSGJATIGCRM-UHFFFAOYSA-N 428.449 1.975 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)C2 483094161 XEDBYTNITMPXHD-JXHRLWIKSA-N 444.507 1.046 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)C3CN(C(=O)c4ccccc4)C3)C2=O)cc1 486619706 IHWDQCWTIXQANB-HXUWFJFHSA-N 438.509 1.103 30 10 IDEE C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CCC(=O)[C@@]2(O)COP(=O)(O)O 504398640 VDOLADXQHJJIQS-LXYRKZDWSA-N 440.429 1.675 30 10 IDEE C=C(C)COc1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1OC 506584989 PAUNACPLBWWJDL-UHFFFAOYSA-N 425.551 1.345 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 506696077 NRVIEDHHOROFOT-DOTOQJQBSA-N 427.548 1.212 30 10 IDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508816536 JOJBRSKRNSALII-UHFFFAOYSA-N 431.566 1.652 30 10 IDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 521637031 PIYUQZLJTPHTCK-CYBMUJFWSA-N 432.468 1.616 30 10 IDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCC1 531384395 PQEPNVYBKJOCAA-UHFFFAOYSA-N 435.532 1.695 30 10 IDEE N#Cc1ccnc(C(=O)NCCN(CCN2CCCCC2)C(=O)c2cc(C#N)ccn2)c1 553513441 VVTHCBKMVKKFDZ-UHFFFAOYSA-N 431.500 1.578 30 10 IDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 558983905 FHNIIXUOBGDHFB-UHFFFAOYSA-N 425.493 1.830 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1 603797245 AVWVXPDNWHSKHS-QGZVFWFLSA-N 427.526 1.125 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn3ccccc23)c1=O 729669779 BEHCIAVYSCNUHK-APWZRJJASA-N 447.564 1.941 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 730138864 OEWHEOTZOACZPO-KRWDZBQOSA-N 437.541 1.270 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccc(OCC#N)cc2)[C@H](C)O)cc1C 733375828 JKXLFWSJBWQWOV-JXFKEZNVSA-N 432.498 1.977 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C 742278079 CDVJTCGEZJUKRD-MRXNPFEDSA-N 427.935 1.645 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC2)c1 749340242 NMLJROPNRGKHNI-UHFFFAOYSA-N 439.277 1.654 30 10 IDEE COc1cc(OC)cc(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c1 752158448 YKTRNBMPBRPXIC-MRXNPFEDSA-N 443.481 1.575 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)NCc1cccc(C#N)c1 755184086 GGVQSIKGIOPPPZ-KRWDZBQOSA-N 444.488 1.233 30 10 IDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3OC)CC(=O)N2C)cc1 766980926 BTVZWPPGKSHJOL-UZLBHIALSA-N 443.481 1.600 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 767637635 OVDKPYLDXUHHLB-OCCSQVGLSA-N 447.435 1.569 30 10 IDEE C[C@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)C(=O)N(C)CCC#N 768665824 QRTYHOMWPSDQOT-QMMMGPOBSA-N 430.305 1.830 30 10 IDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)NC1(C#N)CCC1 784232328 CJCRSFFJCWSDIO-LBPRGKRZSA-N 443.319 1.965 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(CCF)C1=O 797813900 ONLPVORFRVWRLK-AWEZNQCLSA-N 446.451 1.977 30 10 IDEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 798747580 KIZSYKDKDXZPCF-NXEZZACHSA-N 436.350 1.647 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 806610531 ROZMIQYGFSSCCQ-UHFFFAOYSA-N 442.537 1.754 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)c1cccnc1 807849852 CEOIANVYWLGGKG-KRWDZBQOSA-N 430.530 1.573 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 812183110 YEGGIYMKBZCTOH-OAHLLOKOSA-N 425.555 1.731 30 10 IDEE CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)ccn1 856656224 MPFVDQHFDMRBOO-ZABCRHKISA-N 441.532 1.818 30 10 IDEE CCc1nnc(CN(C)C(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)o1 1084223458 VRJQEXKPAGGTGY-UHFFFAOYSA-N 429.510 1.442 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1126002848 KLTLILGTZHQVLB-UHFFFAOYSA-N 427.530 1.833 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1132315345 IUUPFKQXTPIKEU-UHFFFAOYSA-N 446.554 1.937 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N=[S@@](C)(=O)c2ccccc2Br)C1=O 1134024940 ZJBFMWNOEGJSQD-VWLOTQADSA-N 428.264 1.409 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccn(CCN3CCNC3=O)n2)cc1 1134183125 HVBFANWBKFYKKE-UHFFFAOYSA-N 430.490 1.238 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ncc(Br)cn3)C2=O)cc1 1134576531 BDOIRQCTUGSNOS-AWEZNQCLSA-N 443.261 1.632 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3cccc(Br)c3)C2)c1 1149469440 WFZYMJQSSBJTRU-UHFFFAOYSA-N 449.330 1.922 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1 1152973484 LICIXUWIDWQJDV-UHFFFAOYSA-N 434.743 1.257 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2C2CC2)CC1 1152973751 NPWVDDONFRJTAX-UHFFFAOYSA-N 426.336 1.552 30 10 IDEE Cc1cc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)nn1-c1cccc(C#N)c1 1154897027 ZXRIYRNSFMQQPN-FQEVSTJZSA-N 438.513 1.788 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 1159475445 AGMDEXFSIFUVLM-WMLDXEAASA-N 448.545 1.741 30 10 IDEE CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccs1 1163188216 BMAKQOSOYSMDBD-DYVFJYSZSA-N 434.543 1.498 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)s1 1180971229 LGHQHCSRKFYMID-BETUJISGSA-N 429.564 1.927 30 10 IDEE N#Cc1sc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1Cl 1184750139 HJVPJQULMYERRS-UHFFFAOYSA-N 426.907 1.950 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)CC1 1202254210 YGKQNEBSYBARJA-UHFFFAOYSA-N 440.497 1.398 30 10 IDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cc1 1235528683 HBOIOQXGFZEOPE-HXUWFJFHSA-N 439.541 1.929 30 10 IDEE COCCCN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 1252507261 KCBYUJAZFSZDCI-NRFANRHFSA-N 448.589 1.758 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1286396976 ZMKXJBPJJBQNAC-HXUWFJFHSA-N 433.622 1.978 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1286467396 PFEUNSKGKBKJIM-KRWDZBQOSA-N 448.545 1.332 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(SC)CCC2)CC1 1286470341 XPNBMSJOMVILSI-UHFFFAOYSA-N 425.562 1.966 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286506098 QADGTPSMIBKLHL-SFHVURJKSA-N 428.537 1.930 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286607247 NENBSHGQESXJQP-UHFFFAOYSA-N 437.570 1.132 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286788544 YFCCUICRYOJPJG-KRWDZBQOSA-N 426.521 1.835 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286788651 AUCKANVMGLFDKX-IRXDYDNUSA-N 427.461 1.294 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)F)CC1 1286790549 UHDAPMLRJPTZRV-UHFFFAOYSA-N 444.490 1.206 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C(C)C 1286820448 LQSWFTNNANFQTL-HZPDHXFCSA-N 430.596 1.406 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1292177017 WUIXUJCKISHZQP-IRXDYDNUSA-N 447.561 1.884 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1293031627 DWSFJBCRHSUQEK-HTXNQAPBSA-N 439.440 1.405 30 10 IDEE Cn1nnc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@@H](C#N)C2)n1 1298905338 CHXQVUYNZVSNQS-NSHDSACASA-N 448.260 1.147 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CCC2)c1 1299950502 AYRZYTUMWMSUMC-DRKIFQHWSA-N 445.545 1.992 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@H]2CCOC2)cn1 1300328297 JJCADXNBOXNCIF-LXZJYRNTSA-N 428.537 1.861 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300487020 DMRMJHWXXANHFC-MOPGFXCFSA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300491421 HOFKHMSXMTVDGK-QUCCMNQESA-N 448.637 1.198 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC(C)C)NC(=O)OCC 1300505939 KYPDJZSIVDTKNE-GOSISDBHSA-N 428.537 1.748 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)[C@H](C)CC)CC1 1300719615 IXUPXJYXYPOVLE-APWZRJJASA-N 427.553 1.706 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OCC)CCOC1 1300894510 DIEULAXDHOVFEP-ZWOKBUDYSA-N 440.566 1.146 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300989445 OMRAKYBKMIDKGK-IRXDYDNUSA-N 432.525 1.238 30 10 IDEE C=CCn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1301474010 QRBWYGUDHGKJFJ-QFBILLFUSA-N 427.571 1.224 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)N2CCSCC2)C1 1301556791 MBSGNESJQGTGBR-KRWDZBQOSA-N 443.639 1.637 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1301952164 HUBYSVQSHDOYMB-IKGGRYGDSA-N 445.593 1.935 30 10 IDEE Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1302721553 FBWMFEMPNMBLBR-XLIONFOSSA-N 426.542 1.924 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1303754281 HPODEDMULZFDOE-QGZVFWFLSA-N 437.548 1.487 30 10 IDEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1307057274 XVXSRHYEHYQIAT-FRQCXROJSA-N 441.577 1.595 30 10 IDEE CN(C)S(=O)(=O)c1ccc(OCCn2cc(C#N)c(I)n2)cc1 1307362659 VEFXYOHJKNFMKF-UHFFFAOYSA-N 446.270 1.689 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1309855649 XHBXKPXCRDFGNN-UHFFFAOYSA-N 446.529 1.947 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1313314876 JDQXKRATKNODGG-BFYDXBDKSA-N 429.525 1.824 30 10 IDEE CN(CC(F)(F)F)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1314720973 YHBDRLAXFRFSDD-ZDUSSCGKSA-N 448.427 1.122 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)CC1 1315748084 DSFLWFIYBAPWRX-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C1 1316146803 ODUVEKHLITWZOE-QFBILLFUSA-N 440.548 1.955 30 10 IDEE C=CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1323963164 VPSOAZZEXAKPHA-AWEZNQCLSA-N 426.495 1.497 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccn(CC(F)(F)F)c2=O)c1 1356458018 ODVYHOOMGPJIMR-UHFFFAOYSA-N 447.413 1.898 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1358955671 QVHKYLXHRQGFGC-ROUUACIJSA-N 435.594 1.461 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(CC)n2)CC1 1359035832 FSUGGNGBTHDQPG-HNNXBMFYSA-N 434.591 1.003 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359225310 UEWZCIFBHARKGU-UHFFFAOYSA-N 441.580 1.621 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359271110 LGRFXSNQLACDOO-BZSNNMDCSA-N 442.543 1.754 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1359304805 KDGXUUJWWWETRO-KRWDZBQOSA-N 446.939 1.334 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@@H]2OC)C1 1359327006 PEIDFTOOCBKDOH-KNJMJIDISA-N 436.553 1.835 30 10 IDEE C=CCN(C(=O)c1nc(S(C)(=O)=O)ncc1C)[C@H](Cc1ccccc1)C(=O)OCC 1435902208 YYVYAGFWYBZQMZ-QGZVFWFLSA-N 431.514 1.991 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC#N)C(F)(F)F 1455983825 LJPBIQFJRNYZPD-ZIAGYGMSSA-N 435.424 1.677 30 10 IDEE C=C[C@H](O)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 1463617491 IEPXLEJFHUTZFD-SFHVURJKSA-N 447.513 1.818 30 10 IDEE CN1CCN(CCNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1463838389 ZSSBXFRRZOWZEI-FQEVSTJZSA-N 427.549 1.756 30 10 IDEE CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1465365589 KLWKEUWZRXLGON-UHFFFAOYSA-N 430.310 1.142 30 10 IDEE C=CCN(C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)[C@H]1CCS(=O)(=O)C1 1466039949 BFTCYRAPXNCPGJ-GJZGRUSLSA-N 430.552 1.067 30 10 IDEE O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc(C(=O)NO)cc1 1467528521 XJDCAEZKKKJXFC-UHFFFAOYSA-N 448.320 1.224 30 10 IDEE COc1ccccc1[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccn1 1469661313 YVUDRBBBNWQCEV-DLVCFXQMSA-N 426.498 1.759 30 10 IDEE N#C[C@]12CN(C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)C[C@H]1CS(=O)(=O)C2 1478574547 KUHZTOCTBIGPJM-PBMMVSLJSA-N 434.484 1.371 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1507514130 BWMDIRVOOABEAO-HOTGVXAUSA-N 432.550 1.085 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1507677860 MZALUSLLXQZISY-MRXNPFEDSA-N 449.964 1.756 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)OC)CC1 1507734932 DFZIGPGRACNQRR-OAHLLOKOSA-N 425.489 1.675 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCSCC)CC1 1507741192 WZJLJVWXPLOOMU-UHFFFAOYSA-N 432.594 1.510 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1507913744 AVOSQKOSJSQPAR-GJZGRUSLSA-N 427.571 1.880 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccccc2CO)CC1 1508073575 YPEYTPQZAFAAHZ-UHFFFAOYSA-N 440.548 1.595 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1508080308 NLDBZIGOGASAJA-UHFFFAOYSA-N 449.475 1.272 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1cccc(O)c1 1508140969 RLTVVJJSSCYQEB-RHSMWYFYSA-N 433.534 1.733 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1508148470 IAWOPBBBUDYGDS-IBGZPJMESA-N 428.555 1.146 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508158009 CWJOQDVCAIDQPJ-MRXNPFEDSA-N 429.612 1.957 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1508163220 VMTVCKMAPPCOSR-HZPDHXFCSA-N 429.612 1.467 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cn3ccc4ccccc43)n2CCNS(C)(=O)=O)C1 1510290424 HERSXNXDYQHPGE-OAQYLSRUSA-N 441.561 1.960 30 10 IDEE CNC(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1517595469 QNEPSQOUPYLOSB-HUUCEWRRSA-N 435.529 1.461 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1ccccc1 1526565418 LUBYNXJTNSLKAZ-HXUWFJFHSA-N 443.500 1.783 30 10 IDEE Cn1c(=O)c2cc(C(=O)N(Cc3ccccc3)c3ccc(C#N)cn3)cnc2n(C)c1=O 1529014224 CHWNLXBSAXODSE-UHFFFAOYSA-N 426.436 1.746 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)n(C)c1=O 1538726771 MDDWYRGWNNEBPR-HTQZYQBOSA-N 435.271 1.327 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCc1ccco1 1539002389 CLLQUSMZXMHZCU-CQSZACIVSA-N 431.456 1.961 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1539210211 BRJMGSMASUFTTJ-QGZVFWFLSA-N 427.534 1.175 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1539226260 WMBDNINRZQETGL-MRXNPFEDSA-N 439.488 1.520 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1539230840 LRFTZRYUFORNGO-QFIPXVFZSA-N 446.555 1.660 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539318565 TXGRCFMWABHFGN-QZTJIDSGSA-N 447.547 1.193 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOCC1 1539333638 IRWZJBBLKVDHCQ-UHFFFAOYSA-N 440.573 1.455 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCN(C)C)CC1 1539441447 PGTVRWUPHDNMJS-UHFFFAOYSA-N 426.521 1.007 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1540867203 ODRDICJLNFVFCB-HSZRJFAPSA-N 436.516 1.893 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCc2ccccc2)CC1 1540869378 KUOKZVASQSXYOS-IBGZPJMESA-N 438.532 1.717 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1540875464 NBQFYHITMBPNRY-UHFFFAOYSA-N 443.939 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540900396 UEXXSJXTPVYGDJ-OKILXGFUSA-N 425.898 1.156 30 10 IDEE CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1541566328 UFRJDFMUIBORMA-INIZCTEOSA-N 439.520 1.607 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)cn1 1543799282 BORJEZCVDMKBLT-GOSISDBHSA-N 437.500 1.824 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC(=O)NCc2cccnc2)C1 1546218537 ISMCXNAQWHVALE-UHFFFAOYSA-N 442.317 1.975 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1548289347 NIMROXYOQVUXDL-PMACEKPBSA-N 427.505 1.864 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCNS(C)(=O)=O 1554149841 ARVXTLFDUCXUGQ-UHFFFAOYSA-N 425.518 1.321 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1554510810 ITALXIYLXLGUKQ-KRWDZBQOSA-N 448.549 1.139 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCOc3ccccc3[C@H]2CO)CC1 1560171015 OITGRXNDKQPZCE-RBUKOAKNSA-N 426.542 1.885 30 10 IDEE C=CCn1cc(CNC(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)nn1 1562102465 MHDVTTQHNJSBCF-UHFFFAOYSA-N 434.522 1.969 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1=O 1585564873 PQPWOCGEYOMGNY-UHFFFAOYSA-N 443.504 1.875 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1587633287 UAPJWQBCMBUFEE-CVEARBPZSA-N 427.596 1.009 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1587878651 DGPNULQGDMTFJN-HNNXBMFYSA-N 435.575 1.696 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1587988630 AEWNADQTPCSGBJ-MRXNPFEDSA-N 434.541 1.428 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCCO1 1589495235 PVXPEBHKTQBJCA-MHORFTMASA-N 441.598 1.875 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1594003474 AWDKTBWZHLEBSJ-HOCLYGCPSA-N 447.989 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)cc1 1595789596 XIRFVJSVQKIGHQ-UHFFFAOYSA-N 428.518 1.981 30 10 IDEE COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1602800269 XVFVCUSWCMZWML-MESBPSPMSA-N 426.473 1.789 30 10 IDEE Cc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612596177 OJPYNTXPAAAGAK-ISLYRVAYSA-N 431.497 1.028 30 10 IDEE CC(C)Oc1ccc(CCNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1613804183 HECXXJHITRTELW-UHFFFAOYSA-N 438.528 1.698 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)no1 1613870877 ATSSJETVPPMCNR-MRXNPFEDSA-N 441.517 1.628 30 10 IDEE C#CCN1CCN(C(=O)Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)CC1 1614740075 NAXZFLBQJWSAJR-UHFFFAOYSA-N 429.524 1.056 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 1615209065 LMONJYIUYVMRDU-UHFFFAOYSA-N 430.306 1.290 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCCC1=O 1620099837 PPDBLJNHXDPBDG-DJPFJPOOSA-N 434.516 1.847 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCO)CCOCC(F)(F)F)o1 1620351266 UJNFUDRWQYSJPO-CQSZACIVSA-N 442.398 1.120 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN2C(=O)NC[C@@H]2C1 1621179232 GARQKZDGFCOWEG-AEFFLSMTSA-N 425.489 1.629 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1622017992 IDGZVAPDPRLHNR-FQEVSTJZSA-N 441.557 1.212 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)nn1 1622264991 XPKWKHJYWPWHEF-UHFFFAOYSA-N 433.259 1.631 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 1622325594 ZOJYEHRRYAEQPW-UHFFFAOYSA-N 444.575 1.683 30 10 IDEE C#CC[C@H](COC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1623659022 IOJNGYBTFZVXHL-OFQRWUPVSA-N 428.938 1.906 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(C#N)CCCC3)CS(=O)(=O)[C@@H]2C1 1628342098 SRRUJFASCGJFFQ-BZUAXINKSA-N 425.551 1.857 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CCS(C)(=O)=O)C3CC3)C2)C1 1631916528 UAILQWVQSBEKEQ-RDYUPDBUSA-N 425.551 1.809 30 10 IDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C1CSC1 1632572010 XRIADXRAUFAGKK-HNNXBMFYSA-N 428.963 1.988 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636692238 WEYKCSRZPYFRLD-WJWCEJSTSA-N 433.530 1.289 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1644041491 FDQPQQDEELIGBR-WGSAOQKQSA-N 431.558 1.608 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1650791864 HOESASQPPKINFX-KDOFPFPSSA-N 438.406 1.893 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)CC1 1650848775 IHCGHYSLBVFPTJ-UHFFFAOYSA-N 427.567 1.281 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 1666545544 ICCBRIKZCHUMFC-UHFFFAOYSA-N 431.396 1.464 30 10 IDEE N#CC1(CNC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCC1 1683569814 GAIDZXAGFFEZJT-UHFFFAOYSA-N 448.545 1.948 30 10 IDEE C#CCN(C(=O)NCCCCS(N)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1686612981 NGCUUVDZWQQLIR-OAHLLOKOSA-N 444.351 1.986 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCn1cccn1 1689835583 PFMNCQSFMRWBMY-KRWDZBQOSA-N 441.561 1.940 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O 1689841697 MJWVZCKPKHDRGU-HNNXBMFYSA-N 433.534 1.456 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690661203 WTNAACBEPKLUFM-CVEARBPZSA-N 444.511 1.951 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690669411 DURDQNDBFXEDNG-IBGZPJMESA-N 437.548 1.162 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690676319 WPBKCBFRHKMHTO-CALCHBBNSA-N 435.912 1.663 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690677012 KTFJNIXURFZAHL-VGSWGCGISA-N 448.568 1.116 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1690681119 GWLTYPJXBATYEO-KRWDZBQOSA-N 426.521 1.744 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)C1 1690700354 QXWALHMBWYEYDY-HZPDHXFCSA-N 439.582 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(Cn2ccnn2)CC1 1690722884 ZCCVYISNKBTLGF-UHFFFAOYSA-N 444.565 1.393 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC(=O)N2)CCO1 1698492511 CVYIRZTYZIPTNW-CHWSQXEVSA-N 431.294 1.715 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2(COC)CCC2)CC1 1705647285 CDGUJTCIKUEEEI-LJQANCHMSA-N 429.565 1.955 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705663590 MVVWQFGZHYKIRJ-HDICACEKSA-N 434.610 1.312 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1705708111 XXVBHUQXRWVREC-MUGJNUQGSA-N 433.553 1.652 30 10 IDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705751139 AZMJQQMWPNTXHE-UHFFFAOYSA-N 429.912 1.364 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1)C1CC1 1705849705 UELGRSLUJPMSFX-HNNXBMFYSA-N 442.549 1.672 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](COC)C1 1705895145 VPSKXHWNGOQXMI-KRWDZBQOSA-N 426.521 1.922 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705896290 HYKQLUZKWJYIKP-HDICACEKSA-N 431.493 1.115 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](CNC(C)=O)C1 1705898980 DUHCCHZJYAZRLX-GOSISDBHSA-N 449.515 1.137 30 10 IDEE CNC(=O)c1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)cc1 1711326132 AIQQLHDCOVBBMW-UHFFFAOYSA-N 435.488 1.925 30 10 IDEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCCO)cc1 1711773835 XQEQUGHRZNSDDK-LJQANCHMSA-N 426.521 1.529 30 10 IDEE CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1712810436 CHLNQDNIAOBBNB-KRWDZBQOSA-N 439.545 1.107 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC4(CC3)COC(=O)N4)n2CCOCCCO)c1 1712878094 FFTLVGMMUIDHGV-UHFFFAOYSA-N 426.477 1.295 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722306809 OHDRIQFETOZQNR-HXUWFJFHSA-N 427.597 1.534 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCCC2=O)c1 1722371058 RZOJZCXNPBINSY-UHFFFAOYSA-N 430.512 1.762 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCO[C@@H]2CCOC2)CC1 1722433431 VDFOOYRFFDOGDE-NFBKMPQASA-N 447.580 1.270 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)O)CC1 1722446000 IQNUWSLBDKHBCZ-UHFFFAOYSA-N 447.543 1.868 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722513470 XCEWVMOOLYBRIJ-LSDHHAIUSA-N 430.475 1.895 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1722654795 VTFOFGIZCRPWGY-AUSIDOKSSA-N 440.548 1.497 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1729611298 VHRJSTBPHFZSLP-UHFFFAOYSA-N 433.520 1.639 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1731179484 CLYKTRWZKSXMIB-BEFAXECRSA-N 436.442 1.533 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1740551594 LLYVMKKYGQBAJC-DOTOQJQBSA-N 430.530 1.848 30 10 IDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1740577438 DQAZILIYQZOPES-UHFFFAOYSA-N 436.516 1.827 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1740627365 GUPMHADHVBIVAC-KRWDZBQOSA-N 446.529 1.261 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1740654863 SAAMJELJAOSEHW-DQRAZIAOSA-N 429.484 1.253 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCC(OC)CC2)CC1 1740701040 SCPHMSLCUUPXEZ-UHFFFAOYSA-N 444.580 1.587 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1740799748 VDTBPIZTQXIMED-AVRDEDQJSA-N 433.553 1.724 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1740817651 OGBBBCHZKIGNIH-INIZCTEOSA-N 442.486 1.934 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCN1CCOCC1 1740953157 XJGALTHLKIZPBF-UHFFFAOYSA-N 449.559 1.872 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740961148 NDPWOKUAWREBMF-JPYJTQIMSA-N 425.533 1.864 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740964018 FCBQOCDXJHRRHT-KRWDZBQOSA-N 440.504 1.417 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740990627 XVNLBZCMPGJADR-FQEVSTJZSA-N 435.550 1.648 30 10 IDEE CC(C)Oc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1741735917 AWKQWDGHFDMYLG-IRXDYDNUSA-N 446.533 1.139 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C#N)C1 1748291573 AOSKWIICWXSNTC-GFCCVEGCSA-N 445.332 1.530 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(C(C)=O)CC1 1748968933 OOBPLYXBTLFLNE-UHFFFAOYSA-N 427.553 1.484 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749122443 VYTDAIJLYMIZLD-AEFFLSMTSA-N 436.538 1.208 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1749264799 DZGZWLYPURIQOH-AWEZNQCLSA-N 430.896 1.796 30 10 IDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1749506973 OZGSDBIBOUKROR-OKILXGFUSA-N 428.559 1.220 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)COC3)C1 1749696937 FQPOXEVHNOBFAA-HNAYVOBHSA-N 447.561 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@](C)(OC)C2)nnc1[C@]1(OCC)CCOC1 1749739520 FBODBFZWVMYDAU-PMACEKPBSA-N 442.582 1.536 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1Cc1ccc(C#N)o1 1749932701 UJMLUCDDIFIRQB-RDJZCZTQSA-N 430.509 1.820 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1750077314 UGGXIZHOSYXLMR-FGTMMUONSA-N 438.598 1.013 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN2CCOC(C)(C)C2)CC1 1760262975 ITIROLSPVMLEOT-UHFFFAOYSA-N 428.606 1.796 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)CC1 1760359651 JSVVTJYVYVNNPN-UHFFFAOYSA-N 428.541 1.053 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760376941 KCSXQGQWILCEAL-KRWDZBQOSA-N 429.912 1.783 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1760505172 NFYCDLVCABEYQM-BBWFWOEESA-N 445.561 1.388 30 10 IDEE C=CCSCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568241 CIFQEUXZASCJSH-OXQOHEQNSA-N 439.582 1.189 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1765319916 UONQPAPQHPSWJX-WPGVHLAOSA-N 430.509 1.660 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCOCC1 1770413141 TTXWLWYCCAOXMS-GOSISDBHSA-N 426.521 1.795 30 10 IDEE COCCN(CCC#N)c1nnc(C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1771109364 NLLVVPJZVKHYCA-SQNIBIBYSA-N 434.541 1.977 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1771538241 IZSMHUFSAYLCSJ-XUTLUUPISA-N 432.488 1.997 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1772887423 SSCDFIMILAAHJT-QGZVFWFLSA-N 447.565 1.353 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C(=O)C2)C1 1853610752 ITSRUAODVNUTBO-GOSISDBHSA-N 437.537 1.311 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)[C@H]4CCCS4)C3=O)CC2)CC1 1854370287 FKIBCYAZSZHTSZ-RTBURBONSA-N 432.590 1.874 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1854444109 RGXJVSLMWUXNNT-ROUUACIJSA-N 438.594 1.866 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)[C@@H](C)C2=O)CC1=O 1857468572 FYHVDFRCODQIOL-LSDHHAIUSA-N 429.908 1.582 30 10 IDEE COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1 1862631208 MCHHTEBAJROGND-GOSISDBHSA-N 425.393 1.773 30 10 IDEE COc1ccccc1[C@@H]1[C@@H](C(=O)NCC#CCN(C)C)OCC(=O)N1C1CCCCC1 1889291443 DQRULSWJSOUDOD-PKTZIBPZSA-N 427.545 1.978 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(COc3ncccc3C#N)CC2)cc1 1891970667 LPWUILCBDOOUTR-UHFFFAOYSA-N 428.514 1.858 30 10 IDEE C[C@H](c1nnnn1C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1 2069568611 NGGDZZKMHDGUQN-ZBFHGGJFSA-N 444.565 1.361 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243386872 JEMKIYUIWMZUAY-LLVKDONJSA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1COC1 2248419525 BZYRRURZHDOWKP-CYBMUJFWSA-N 439.343 1.921 30 10 IDEE COCC[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255595081 GVCCFRAWAJOEEH-ZDUSSCGKSA-N 438.334 1.369 30 10 IDEE CCCN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2267112902 NMQHSCRIGZKOCC-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267118227 XQZMYBVCIZSIRO-NHAGDIPZSA-N 447.345 1.052 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)n1 2267503074 XNRMAMOOHNJHPE-OALUTQOASA-N 441.337 1.823 30 10 IDEE C=CC1(C=C)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2286038167 AYTYJGCSZYIBLC-KRWDZBQOSA-N 438.502 1.227 30 10 IDEE C=CCO[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2286051916 RHTDLBCBXZSJRK-QZTJIDSGSA-N 440.518 1.451 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCc2scc(C#CCO)c2C1 2336500713 DGIHYIYFEPLZLF-UHFFFAOYSA-N 430.507 1.076 30 10 IDEE C=C[C@@]1(CN)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364185279 XTFQBBCMWQAVIW-OAQYLSRUSA-N 435.546 1.389 30 10 IDEE C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N)c1ccccn1 21324790 QAFLWXRGTHKWLY-SRZZPIQSSA-N 427.450 1.862 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCC[C@@H](C(=O)OCC)C3)cc2C1=O 22067483 MPISOPUXUWMKMK-GOEBONIOSA-N 442.468 1.816 30 10 IDEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1 102752099 QEFFXRFALPEOCO-LCPUNJGISA-N 441.459 1.983 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 437608652 YGNYESGHVCIRST-UHFFFAOYSA-N 435.481 1.844 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 460549103 DZJMXVDGNZLLCL-BBWFWOEESA-N 425.555 1.335 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2COCCO2)n1C[C@@H]1CCOC1 461589104 PSCPBYFDZBIEOI-PMACEKPBSA-N 427.505 1.927 30 10 IDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466103427 CMALMYMCXFGOJW-UHFFFAOYSA-N 449.577 1.774 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3cccnc3C#N)cc2)C[C@@H](C)O1 477056678 LDQPZFMKUNCNEK-GASCZTMLSA-N 430.486 1.769 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c(OC)c1 488819722 FERMKMFRBMEMHI-UHFFFAOYSA-N 433.461 1.861 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 502378588 VNOBQOBJWZWQBO-UHFFFAOYSA-N 447.587 1.993 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CCOC)[C@H]1CCOC1 514892646 HKHVEBYFORQCCT-KRWDZBQOSA-N 435.550 1.623 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2)c1=O 522116450 GITVQEJOFWWTBC-UHFFFAOYSA-N 429.567 1.025 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn2cc(Br)cnc12 539884014 QEDDOVDSSVSGHZ-LLVKDONJSA-N 427.266 1.504 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)oc3C)n2C[C@@H]2CCCO2)CC1 555397496 HPKVIVPXESAMDC-SFHVURJKSA-N 428.537 1.758 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cc1 580013512 TYBLPQOOWIPJHR-UHFFFAOYSA-N 432.546 1.524 30 10 IDEE C=CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586152707 ZEJHBSLONHTQTK-UHFFFAOYSA-N 437.562 1.721 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3cccnc3)[C@H]3CCS(=O)(=O)C3)cc2C1=O 603553151 FGKSDJGXPPBJLO-KRWDZBQOSA-N 439.493 1.693 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 609522199 ZOSDTIYESLEKMU-IEBWSBKVSA-N 435.546 1.064 30 10 IDEE CC(C)C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 619104069 ITTUEFRLSWSQRY-HSALFYBXSA-N 435.528 1.968 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)ccc1Cl 679468990 ZJPSCIUHXFWWJF-UHFFFAOYSA-N 443.956 1.832 30 10 IDEE CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2c(Br)cnn2C)c1=O 683734216 NEHOCINMUWSAJR-UHFFFAOYSA-N 435.347 1.688 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)cc1 726316882 XZRHYNFYAULIMV-UHFFFAOYSA-N 436.375 1.813 30 10 IDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(=O)NC(C)C 730139541 RERNSMHGROMLBU-SFHVURJKSA-N 447.605 1.773 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCN1C1CC1 732674320 MHIBMMHWTCOSPX-NRFANRHFSA-N 440.548 1.229 30 10 IDEE C[C@H](CC(=O)NCCS(=O)(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742582290 GBHQBEKHNFRNND-CQSZACIVSA-N 435.527 1.094 30 10 IDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NCc2ccc(OC)c(C#N)c2)CC1 746767856 CNFHPQRFFIVPKY-UHFFFAOYSA-N 445.520 1.883 30 10 IDEE COC[C@@](C)(CO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 751542038 AKKWFKBHSYJCCN-YQPBSLOJSA-N 426.539 1.799 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1-c1ccccc1C#N 760382558 QGYRTPUDSOPLCR-UHFFFAOYSA-N 435.896 1.377 30 10 IDEE Cn1cc(/C=C/C(=O)Nc2cccc(C#Cc3cccc(C(=O)O)c3)c2)c(=O)n(C)c1=O 767097146 UVVJUUVICCENDQ-VAWYXSNFSA-N 429.432 1.834 30 10 IDEE COC(=O)N1CCC[C@H]([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 775811875 NAZUYBRCRPIGOB-LMNJBCLMSA-N 445.539 1.991 30 10 IDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NS(=O)(=O)CC(C)(C)C#N)cc1 776141910 CFRYBVFUKFSFDV-UHFFFAOYSA-N 431.536 1.092 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 779851912 AQHAYRLHHHXYJU-NRFANRHFSA-N 446.529 1.541 30 10 IDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 786730968 SAIHHUCOLPSVGB-UHFFFAOYSA-N 431.522 1.247 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 789889233 JXLKZGZJMCINJS-HSZRJFAPSA-N 448.483 1.078 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cc(F)cc(Br)c1)c1cc[nH]n1 789958063 MNEXDWJYLGRSGG-UHFFFAOYSA-N 427.230 1.912 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CC1 795025595 ADRHNBBQRSJKME-GOTSBHOMSA-N 438.572 1.791 30 10 IDEE COCCn1c([C@H]2COCCO2)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 802404895 IYFIQQGCSYDKJW-HXUWFJFHSA-N 449.515 1.759 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 803524043 MWZOSSPIOLKKQZ-HXUWFJFHSA-N 428.558 1.880 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 809890112 UBWGZEBUELSXMF-HOTGVXAUSA-N 434.541 1.735 30 10 IDEE N#Cc1ccc(NC(=O)COC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)cc1 915447758 NDNPTOVOLLPZEB-UHFFFAOYSA-N 438.259 1.764 30 10 IDEE Cn1cc(/C=C\C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 916948119 DPNCWTGSBOLYRM-OLHLWXQYSA-N 441.513 1.955 30 10 IDEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 1083852041 VSKXSKOPMSANRE-UHFFFAOYSA-N 442.505 1.738 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1136208885 SJFCINDTJQFEFS-UHFFFAOYSA-N 431.514 1.886 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 1152967902 VBCGQNMQJIKRLT-UHFFFAOYSA-N 434.949 1.973 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)c1 1154988577 SYUYVKUGRUKVQE-UHFFFAOYSA-N 443.591 1.521 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC(F)F)C[C@@H](C)O)nnc12 1161324212 ACIFQWSOJOYQSX-GFCCVEGCSA-N 437.472 1.797 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)nn1 1191582532 CTHOGIRHKIDMKK-UHFFFAOYSA-N 435.325 1.109 30 10 IDEE CC[C@](COC)(NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(=O)OC 1194913911 HGCINJDRKYZRFG-WAIKUNEKSA-N 446.548 1.914 30 10 IDEE NS(=O)(=O)CCCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1252424814 KHMNYUMOOFJREI-BQBZGAKWSA-N 433.321 1.477 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286380852 JOSNKVUACYZTFR-MRXNPFEDSA-N 441.623 1.432 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286392641 MLDZWPXEVGMUJY-GOSISDBHSA-N 444.557 1.923 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2snnc2C)C1 1286798964 PXLBMBWARRTYGU-CQSZACIVSA-N 426.506 1.915 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC1 1286819134 BGPJIPHWQULYSI-UHFFFAOYSA-N 428.518 1.393 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1289201332 LUEBLZFUWBKPLN-UEXGIBASSA-N 431.514 1.574 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCc1ccn(-c2ccc(F)cc2)n1)c1cc[nH]n1 1294009533 LFSMAZQYYZJAQC-UHFFFAOYSA-N 428.424 1.377 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(COC)CCOCC2)CCOC1 1296662445 CTIOXKGNDNQJQZ-DYESRHJHSA-N 435.525 1.102 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1298582668 BPFZSSYBGRVRQB-ZCXUNETKSA-N 446.552 1.937 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 1300289946 KROGPOBLONHDPF-OAHLLOKOSA-N 431.518 1.210 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300502866 YWEDTDFUEDMTGR-FQEVSTJZSA-N 444.605 1.621 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cnccn1 1300863181 KDABUTHMTPBWET-IEBWSBKVSA-N 425.537 1.964 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCNC(=O)C1 1301481738 ONNGZOMINFJOJS-HNNXBMFYSA-N 446.939 1.927 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(C)o1 1301499761 FQERYQIOZUKYHV-HZPDHXFCSA-N 433.534 1.725 30 10 IDEE CC(=O)Nc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)cn1 1301790522 WJDKTISEHLUCSJ-KRWDZBQOSA-N 438.517 1.764 30 10 IDEE CC1(C)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCS(C)(=O)=O)C[C@H]21 1303950829 JINNSQFWOQZWCC-QZTJIDSGSA-N 429.546 1.970 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)cc1 1312972313 UGNVXCDFBDAPLI-UHFFFAOYSA-N 432.468 1.753 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1314706465 CCWGXWKGCJVVTG-UHFFFAOYSA-N 433.520 1.754 30 10 IDEE CN(CC(F)(F)F)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1314717629 AUJYMSXONTUEHQ-WUKNDPDISA-N 435.410 1.789 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1314870308 PCAHMILYEWTWQA-NRFANRHFSA-N 440.548 1.781 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@@H]1C[C@H]1CF 1316203783 HBZFQYHGIOAOCE-SOLBZPMBSA-N 446.531 1.773 30 10 IDEE C=CC[C@@]1(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1320699695 NOISYFIBNKGZRE-LIRRHRJNSA-N 430.523 1.179 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1358930057 NIVCDTJPMYGITN-ZWKOTPCHSA-N 435.594 1.726 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](OC)C(F)(F)F 1359063986 INXBWGQERHGYDJ-WOSRLPQWSA-N 437.488 1.848 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1359227540 DLYHTRFODYDRAL-QGZVFWFLSA-N 425.599 1.740 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 1359278445 UZJQIBHESDVOQK-UHFFFAOYSA-N 439.582 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359299757 MVCWUAVJIUVXES-QGZVFWFLSA-N 429.525 1.093 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359307002 XRUDPDLBVBYGDL-QRFRQXIXSA-N 443.552 1.107 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)c1 1443148089 MTFLDJRXHKKQMA-UHFFFAOYSA-N 441.553 1.705 30 10 IDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC2=O)cc1 1450463625 BOYKCJCGHOZIDP-GOSISDBHSA-N 432.484 1.613 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)cc1 1455008534 KUSAUYZEDDNSOC-WGSAOQKQSA-N 426.494 1.850 30 10 IDEE C[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C(=O)N1c1cnn(C)c1 1469101890 GEQQDUBVHVIXJI-HRAATJIYSA-N 435.532 1.749 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1469547508 XRHOPVDCFZYMDM-POZUXBRTSA-N 448.570 1.385 30 10 IDEE COC(=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1OC 1469766992 LMWREQLJWAXQMU-UHFFFAOYSA-N 431.470 1.939 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1470188156 KUXFTQCBPHOWBC-GDZNZVCISA-N 448.492 1.211 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]cc2I)cc1 1470332993 QJNOMVDGCQGXRP-UHFFFAOYSA-N 445.242 1.459 30 10 IDEE C#CCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CC1 1470909301 WYIIIPQDLXGJNF-MRXNPFEDSA-N 425.576 1.065 30 10 IDEE C#CCN1CCC(NC(=O)c2cc(I)ccc2-n2cnnn2)CC1 1471938475 NYQGYYWJGAACQU-UHFFFAOYSA-N 436.257 1.094 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]12COCCN1C(=O)COC2 1476728713 BHABZFQGCIBZOG-SFHVURJKSA-N 440.294 1.763 30 10 IDEE CS(=O)(=O)CCN1CCC(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1477798428 GVEFXRCEYFDSIR-UHFFFAOYSA-N 447.605 1.331 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOc1ncccc1F 1503068308 OWXQMBSKBJKCOX-UHFFFAOYSA-N 439.451 1.963 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1504955293 QTOGSDOLKQUEKR-RDJZCZTQSA-N 425.555 1.709 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC 1507679487 WMZQQOPZEHYYQE-UHFFFAOYSA-N 431.566 1.484 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1507687673 RNIMKOHLNQCWEM-UHFFFAOYSA-N 435.488 1.494 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1507698947 VXPNHVXRZHGOMA-UHFFFAOYSA-N 440.548 1.489 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507708142 FLMBZHQOIDIASX-QGZVFWFLSA-N 438.454 1.689 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)c1ccccc1 1507710384 OPABZWWKZZYUOW-UHFFFAOYSA-N 428.518 1.239 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCn1nc(C)cc1C 1507712153 CTLHPLXTTYAUFC-UHFFFAOYSA-N 439.520 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCC(=O)N(CC)CC)CC1 1507736132 FEUQHOTUHHDGQZ-UHFFFAOYSA-N 439.564 1.888 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507965590 OPUQYLXDZHURHE-SFHVURJKSA-N 439.520 1.329 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507965843 QRRAJAWTPXEZPG-NRFANRHFSA-N 429.525 1.763 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507969996 ILSDSKKJSVLIJG-SPEDKVCISA-N 447.559 1.899 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1)C1CC1 1507994155 XSOZWDFMTSNTDU-AWEZNQCLSA-N 435.575 1.827 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCO[C@H]1C 1508039670 PGGKBVLFVQOLDT-BPXKWBHBSA-N 430.505 1.969 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1508062197 WQSKYLLKMSGQTG-UHFFFAOYSA-N 443.596 1.403 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508080895 FRVZXKJOQXDHLZ-ZDUSSCGKSA-N 439.442 1.091 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccccn2)CC1 1508136812 HUEHRIWJABDXKU-UHFFFAOYSA-N 439.545 1.663 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C2CCOCC2)C1 1508141808 OSZCCNTUWRYNRQ-DLBZAZTESA-N 437.566 1.083 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1508786112 ZQFVTECWHHJRLC-WMZHIEFXSA-N 438.532 1.709 30 10 IDEE CC(C)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1509582448 SHEQNUYEGKIPQR-QTIQAUKSSA-N 429.525 1.186 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(C1)OCCO2 1517349681 MNHBCLJIPKZFNX-QGZVFWFLSA-N 445.545 1.841 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)O 1519332236 WTXFDTNNSQVAFY-GOSISDBHSA-N 442.564 1.967 30 10 IDEE CS(=O)(=O)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1519517385 MRHFTKXJLNPDTM-ZWKOTPCHSA-N 431.518 1.451 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CC1 1539013026 HQVZVMBCCCCOTD-MJGOQNOKSA-N 443.573 1.801 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1539324108 PUTUMVFUVANKMF-PMACEKPBSA-N 431.606 1.764 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1539370585 XVUVCTSNNQXREF-JXFKEZNVSA-N 439.582 1.012 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnn(C)n1 1539384478 IYSYIHCDHQJPNT-UHFFFAOYSA-N 446.450 1.276 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccn(C)n1 1539400111 ZRGNWHYOZLSFET-UHFFFAOYSA-N 442.545 1.411 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)C(C)C)CC1 1539469632 SMSZSAZTNXCHDO-AUSIDOKSSA-N 447.580 1.567 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)CC2CC2)CC1 1539481467 AFWOPTZBQZRWNZ-UHFFFAOYSA-N 449.621 1.657 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539627219 IHHWRQFJGDPSIE-BJLQDIEVSA-N 427.553 1.873 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540865543 KDSDJBXGQQGUFF-SFHVURJKSA-N 433.516 1.614 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1540922716 WODOATGFZHBTPQ-JXFKEZNVSA-N 436.582 1.405 30 10 IDEE Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543184359 JQLKLAUDCSKFRS-VWJITQGSSA-N 445.524 1.462 30 10 IDEE C[C@@H]1CSCCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1545131164 IIPCIGXFYNTHMG-GFBZJKCLSA-N 432.550 1.988 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1554381227 AORJTHZROQVLJI-HNNXBMFYSA-N 425.537 1.797 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CCO1 1554441555 HABOFDAUQILZPB-IBGZPJMESA-N 434.504 1.167 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1555494682 YHMNNAFEVNGLRK-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE N#Cc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C(F)(F)F)c1 1558063536 QGJLXXJQOUQSBD-YCPHGPKFSA-N 429.420 1.313 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc2c(c1)CNC2=O 1558761645 MVGYEHZLGCTEFW-HNNXBMFYSA-N 427.486 1.417 30 10 IDEE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1570808251 CXENDMFLCGPQRW-OGHNNQOOSA-N 425.482 1.253 30 10 IDEE N#Cc1cn(CCC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(=O)nc1O 1584356345 JBVRIVAPPVZLMW-UHFFFAOYSA-N 433.415 1.597 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1588612423 FNVMAXJGCZTFIU-UHFFFAOYSA-N 431.298 1.365 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588899180 MCPJFLBTPZITFG-KSFYIVLOSA-N 427.505 1.352 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589513777 BRBIDWHBRAHROJ-QFBILLFUSA-N 448.593 1.783 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1589664340 YICKWMDGBSRGSZ-LJQANCHMSA-N 449.577 1.962 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595442536 QWYKXGIDOAGVPD-UHFFFAOYSA-N 442.495 1.453 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCSC2)C1 1595674131 MWZMYJDGPHKSLH-MGPUTAFESA-N 430.534 1.575 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)CC)C1 1595714616 OQHBHKTUPVTORQ-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1595837776 DDBULRADWBNJKI-UHFFFAOYSA-N 429.550 1.903 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC1CCOCC1 1608579508 OJDYIZXWGOWTMC-GOSISDBHSA-N 445.568 1.179 30 10 IDEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1611608676 FDAXAOSXSYBKFA-KRWDZBQOSA-N 445.593 1.534 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1613588486 KNZHCICGSGDFBZ-XMSQKQJNSA-N 445.568 1.179 30 10 IDEE C=CC1(CC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CN(C(=O)OC(C)(C)C)C1 1622089080 ILXRCROQZOZSFW-CWLKWCNXSA-N 429.517 1.723 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC)cc2)c1 1622460135 DBPSJXHXTHFVAX-UHFFFAOYSA-N 437.543 1.032 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)s1 1623582507 UWXRHRKCQMYMLF-CQSZACIVSA-N 429.589 1.277 30 10 IDEE CCS(=O)(=O)CCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1626515623 TUNVQFRWFBYEDP-HNNXBMFYSA-N 429.564 1.081 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1632532799 HXEYCENETTWRJI-AEFFLSMTSA-N 431.514 1.972 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C1CCOCC1 1633417093 AKRMCPHJMGPYAX-SJLPKXTDSA-N 440.949 1.956 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCC#CCO 1634027406 XZKLFTPNMBMLAJ-AWEZNQCLSA-N 425.359 1.505 30 10 IDEE C[C@H]1C[C@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1c1cnn(C)c1 1634749206 ACEWFNZAZGLJCY-YJBOKZPZSA-N 429.521 1.681 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C(=O)OC 1638825884 FEIGXUJUBDMGMU-MRXNPFEDSA-N 432.454 1.496 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1639049935 NSXBGZRTROFJPU-UHFFFAOYSA-N 441.465 1.116 30 10 IDEE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1639373818 WNYCZAYUOCNXAC-OWCLPIDISA-N 434.562 1.752 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)cc1 1639561902 SEEYNZNVYMHWNY-CALCHBBNSA-N 449.435 1.821 30 10 IDEE C#C[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(Cl)ccc1Cl 1641573977 CBPSHENGNUTCGF-DGCLKSJQSA-N 425.359 1.504 30 10 IDEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)[C@@H](C)COC 1647738578 ZBRFXCYKUVSVJP-OKZBNKHCSA-N 439.578 1.946 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@@H]1C(=O)OC 1655079871 PIGPTFCJOYMHCS-KDURUIRLSA-N 438.484 1.798 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1673648737 JLJNKILESNFAIE-FIWNRLKKSA-N 449.529 1.623 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCO[C@H]3c3ccc(Cl)cc3)C2)c(=O)nc1O 1684890315 WDCAWYOXPDAAAC-SJORKVTESA-N 429.864 1.961 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1689873663 RDHBEIAIPPHLKE-UHFFFAOYSA-N 440.552 1.653 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1689989260 CMLHLWWKYMGKIM-IBGZPJMESA-N 449.621 1.409 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1690066385 FNJBJXKAFJNKFA-IBGZPJMESA-N 438.937 1.616 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1690082915 SWDOGTUMHWONRE-NRFANRHFSA-N 436.560 1.761 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCN(CC)CC2)CC1 1690119668 NTPCBTREDLHRAZ-UHFFFAOYSA-N 446.603 1.600 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCNC(=O)C(C)C)CC1 1690133417 GILWBNOOYQHSGB-UHFFFAOYSA-N 438.576 1.947 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cnnn1 1690559571 HDNUUORVGXFPHM-GOSISDBHSA-N 432.492 1.370 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1690596992 GPWMTWNWGDHLFH-BRWVUGGUSA-N 427.546 1.928 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](N3CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1690677430 WSORLXUEFFBVGS-PGRDOPGGSA-N 432.569 1.297 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)CC1 1690723819 BMOUDTPPKDPKNZ-SFHVURJKSA-N 425.599 1.551 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C1CCC2(CC1)OCCO2 1690724902 YOIQRVKNLFCVGH-INIZCTEOSA-N 440.566 1.505 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1692567320 VLBQBYWODHQACT-QFIPXVFZSA-N 437.504 1.112 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1695931653 GRDIAASURSCEKP-UHFFFAOYSA-N 433.520 1.759 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCOC[C@H]1OC 1696298473 IKTLSCHBBZHVOD-KBXCAEBGSA-N 428.493 1.401 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CCO1 1698492467 CPRBDPVLZNYDSM-CJNGLKHVSA-N 434.859 1.829 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)(F)F 1705540978 VEPCMPPXVSBIOT-UHFFFAOYSA-N 442.829 1.609 30 10 IDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(=O)(=O)Cc1ccon1 1705554426 BQHJPDKCFWCKCC-UHFFFAOYSA-N 448.936 1.699 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1705563673 CEQTUCIXNMNEIV-KRWDZBQOSA-N 444.557 1.886 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705571682 FPDBSPFODSOIBK-PWIZWCRZSA-N 444.557 1.858 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1705578014 CBTYTRPJMXVCGQ-QFIPXVFZSA-N 435.509 1.116 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705714033 BNTGWRPMJSNQEX-UHFFFAOYSA-N 434.504 1.401 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1705905063 IGFHTKORNXBJGG-UHFFFAOYSA-N 434.548 1.988 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)C1 1705919326 BRPWHGXOYZUGFN-SFHVURJKSA-N 442.476 1.493 30 10 IDEE CCCN1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1709783124 IKNSLAQAMGPWMN-WMZOPIPTSA-N 437.614 1.893 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C#N)o2)CCO1 1711369333 WDWXKLOMJGFRJH-IBGZPJMESA-N 436.472 1.630 30 10 IDEE COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712179447 NSHLZIALFSTWJH-IBGZPJMESA-N 436.495 1.842 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1712608082 BZNDCTLOJLVLJP-IBGZPJMESA-N 440.504 1.901 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1722294570 HKNNGEIUYVRURQ-RBUKOAKNSA-N 436.626 1.056 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C1CC(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1722369085 VLPJOXPVILGDHE-MYBQVCMBSA-N 433.578 1.853 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3ccccc32)CC1 1722431545 MMPVLNZHRQETRU-PKOBYXMFSA-N 442.589 1.374 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(N3CCOCC3)c2)CC1 1722447021 GVSHEUHQIINQRZ-UHFFFAOYSA-N 436.560 1.691 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](C)C1 1722688342 CBKDNOWHYKFPAD-AWEZNQCLSA-N 431.566 1.695 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCOC1 1722697833 QWLUWKTVWQUHRV-HNNXBMFYSA-N 447.565 1.013 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCSC[C@@H]1C 1722724941 JLAFQHMBXAGCAC-AWEZNQCLSA-N 429.612 1.739 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1723773367 FDCOQNYBPNXYAD-BTYIYWSLSA-N 440.529 1.781 30 10 IDEE C[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1726739365 GHLDJDBHBBKYCL-YJBOKZPZSA-N 432.550 1.475 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1729186696 FKAYTKJUYSRYME-OAHLLOKOSA-N 444.561 1.602 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1729214440 VROHPYBROHITCF-HDICACEKSA-N 446.533 1.050 30 10 IDEE CN(C)CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1729339501 WXQUGGBZULJFJS-PMACEKPBSA-N 440.548 1.890 30 10 IDEE CN(C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1729340656 GYWAVQQUZCJNNY-OAQYLSRUSA-N 426.500 1.537 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1729369136 DTMFVLVUADVMMB-INIZCTEOSA-N 430.534 1.609 30 10 IDEE C#CCCCn1c(CC(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1740591350 PAIKFTIFWSCZKE-UHFFFAOYSA-N 438.580 1.843 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1740630109 FMPUHPHHZNFUQO-GOSISDBHSA-N 439.541 1.336 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1740640172 IUWDONARVGATHM-SFHVURJKSA-N 447.536 1.322 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CC1 1740677051 DFQGSIMNZBEHIE-BTYIYWSLSA-N 449.552 1.828 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OCC3CC3)c2)CC1 1740688773 JEZWLIGKMCWLKI-UHFFFAOYSA-N 437.548 1.404 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc([C@@H](C)O)cc2)CC1 1740707451 CFTDXTHVFRQVRN-QGZVFWFLSA-N 425.533 1.882 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740715428 JCSNPRXNDGYVIX-UHFFFAOYSA-N 439.545 1.536 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740900225 WMGZGHXPDNXBHD-DLBZAZTESA-N 429.546 1.856 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC#N 1740952914 QSIICZJPQVZGRL-AWEZNQCLSA-N 444.565 1.587 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740957919 DKJOVMPBKINSDL-UHFFFAOYSA-N 431.585 1.228 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740963837 YMUKOXSOXPGYJF-QFIPXVFZSA-N 440.504 1.499 30 10 IDEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1741259611 OMXVYMOKNBXOLH-JLTOFOAXSA-N 438.504 1.799 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1741795737 BGQMANLRMSZBLW-GJZGRUSLSA-N 443.474 1.516 30 10 IDEE CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1745969300 QGYPDCFVMZBMIJ-ZJYNUGOYSA-N 427.509 1.525 30 10 IDEE CCOCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1747317658 OMKIDOPIVCZDQD-ZWKOTPCHSA-N 440.552 1.975 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC1 1748829241 YQVFYDOMXKPXIP-UHFFFAOYSA-N 443.349 1.973 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCS(=O)(=O)c2ccccc2)CC1 1748986892 KZPCXYTZOSABMY-UHFFFAOYSA-N 438.557 1.892 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2C[C@H]2C)CC1 1749003308 FHPKBAYSIJDVEP-FHJLPGHOSA-N 429.565 1.941 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CSCCS2)CC1 1749009421 IOVCQOXXGFYXMG-MSOLQXFVSA-N 449.646 1.987 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1749234876 BFWBTVZQEVTJQI-BZUAXINKSA-N 446.533 1.050 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O 1749539053 RSADFWBVCYLIJE-UHFFFAOYSA-N 441.561 1.907 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749671187 ZTJVFWONYKQMIX-KRWDZBQOSA-N 433.557 1.406 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681417 AMIFGIQWQKQWFJ-KCXPTXFHSA-N 433.553 1.340 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnccc2OC)C1 1749711856 DACPOKYDAWHEPN-NVXWUHKLSA-N 433.534 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)c(F)c1 1749721381 ILLZRAXZUOTFCE-UHFFFAOYSA-N 441.504 1.932 30 10 IDEE Cc1nccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1751805151 NPZMDGUVIJAWEJ-KDOFPFPSSA-N 438.533 1.316 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)(C)C 1760102058 DQWHGYJZMGVUKQ-HNNXBMFYSA-N 431.562 1.969 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(F)(F)CC1 1760117097 MIULSSUZDSRCCU-GDBMZVCRSA-N 445.536 1.894 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760129548 RAODXRWYZXVCSF-QUCCMNQESA-N 443.596 1.209 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCCC2=O)c1 1760163314 RPWNUDRHZIQPOP-HNNXBMFYSA-N 430.534 1.133 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1760235163 DNKKHWBTDSWAHW-GFCCVEGCSA-N 441.501 1.324 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@]2(C)COCCO2)n1 1760251445 AJPKTZPIZHHIRD-DENIHFKCSA-N 444.536 1.418 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2Cc2ncn(C)n2)CC1 1760258047 FOYMRWFRCUGZEZ-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1760260260 YGQPIQQOTKTDQE-LJQANCHMSA-N 438.532 1.063 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760264500 QHRPKTRUJIEVLR-MBSDFSHPSA-N 441.532 1.161 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCSC2)CC1 1760271058 KFSCIHAVJMAZNJ-MRXNPFEDSA-N 430.578 1.119 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2=CCCOC2)CC1 1760271815 NBZGJYBMYRBQBK-UHFFFAOYSA-N 440.573 1.946 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nnc(C(C)(C)C)s2)CC1 1760273275 NJRVPSIYUWKHMB-UHFFFAOYSA-N 445.593 1.978 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760345238 OVBPICFFBIRIPT-SJORKVTESA-N 436.582 1.636 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1760690874 GTWSCKRZFPANHW-CQSZACIVSA-N 434.504 1.314 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1760698395 IDQOLASPQOKRRX-CABCVRRESA-N 443.474 1.259 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCC[C@H](O)C1 1761466100 HEBKUGMWMKSAGV-IPELMVKDSA-N 446.577 1.947 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1762809712 FHUDPTOIDSDLQK-OAQYLSRUSA-N 428.541 1.899 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1766993609 AYGGMRZZJUMDRR-UWJYYQICSA-N 445.545 1.921 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@H]1O 1767919576 BAPZYDHASFIQAJ-BRWVUGGUSA-N 447.442 1.601 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1770685076 CUKZZBPLKNLUAL-QHCPKHFHSA-N 438.532 1.709 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)C1 1771529352 MIMKWJUQWGPCQH-RISCZKNCSA-N 441.476 1.918 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1771536890 DLSHCYUDXHPORJ-VQTJNVASSA-N 428.512 1.584 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)CC1 1849561442 YFJDVGDCVSGRJQ-SFHVURJKSA-N 436.578 1.191 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)C[C@H](c1ccc(OC)cc1)N1Cc2ccccc2C1=O 1853274301 KGTYNIHFFLLYEB-OAQYLSRUSA-N 440.521 1.947 30 10 IDEE C=CCN(Cc1cccc(S(=O)(=O)CC)c1)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1853414167 JYKLUVWAQIOOQY-KRWDZBQOSA-N 430.530 1.781 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCN1CCC#N 1856203592 JLQHSQKCSAIYSX-QGZVFWFLSA-N 432.546 1.838 30 10 IDEE CCOCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC4(CC3)C[C@H]4C#N)ccc21 1856528212 NFKDAECOHFTVHL-INIZCTEOSA-N 431.514 1.843 30 10 IDEE COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCC#CCN3CCOCC3)C2)nn1 1889384710 MPTDCGSPGGYFTO-FQEVSTJZSA-N 449.555 1.820 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2184059155 IXVUVNABDDAFLX-RRFJBIMHSA-N 440.294 1.990 30 10 IDEE COc1ccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1C#N 2195273012 JQWVZXVKWMDAQV-QGZVFWFLSA-N 432.454 1.861 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2CC[C@H]21 2255630523 LJARTBMXMWZZPS-HUUCEWRRSA-N 432.330 1.933 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)[C@H]1C[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2255657129 KOAOWJZUEMWUBB-DGADGQDISA-N 440.346 1.316 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H](O)C1 2255703694 WQOOVYZMLROUST-KGLIPLIRSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255705992 CCUHQWQCDSVLKY-HZPDHXFCSA-N 435.330 1.414 30 10 IDEE Cn1ncc(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2255824115 BODOHQHUTFGWTF-KBPBESRZSA-N 432.330 1.314 30 10 IDEE CN1CCN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@@H](CNC(=O)C(F)(F)F)C1 2255870162 FFTXFGPZPZSDBM-RUXDESIVSA-N 433.280 1.680 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2267170696 YZWCIYDFBMGDCW-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 2267188667 PFYOBTQBKJKXMC-OALUTQOASA-N 436.365 1.923 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2267221636 WVLJWSYOKRPITO-QFIPXVFZSA-N 447.341 1.483 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267279939 LAKLTSFULHPAIZ-QFIPXVFZSA-N 449.357 1.806 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2267477879 QQMIDXLJHUGZAL-UHFFFAOYSA-N 441.259 1.912 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267507944 XDQISNTUVHTGIQ-MIFYACCESA-N 446.357 1.623 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3C[C@]3(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2272634574 SPVPAYHCRVSMTD-PEBXRYMYSA-N 446.357 1.706 30 10 IDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1OC 2329012633 XYEKLTHEYWMFSU-AWEZNQCLSA-N 446.533 1.479 30 10 IDEE Cn1cc(C#N)cc1C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 433868472 HYFVNMPCCSHKFJ-UHFFFAOYSA-N 429.484 1.830 30 10 IDEE COCCOc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 435032003 DVIASIUVDMNXMP-UHFFFAOYSA-N 443.525 1.659 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCn2cccn2)CC1 460583434 KTASOQKRABFJKB-GOSISDBHSA-N 447.609 1.554 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 460929342 DSQSVSJMSXOVNV-BBWFWOEESA-N 441.598 1.827 30 10 IDEE COc1cc(OC)c(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 480509954 GABLPYDRPXAUBT-CYBMUJFWSA-N 433.486 1.567 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(F)c1 481045647 GLUPREZPHXIZPG-UHFFFAOYSA-N 438.462 1.955 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](COc2ccccc2)C1 481532081 ICWCPTKRILQKAL-APWZRJJASA-N 429.498 1.531 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 483127742 XPJKSZASDAMOHF-YLJYHZDGSA-N 426.542 1.958 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 502568420 HKNGQVOZQYRQOT-HXUWFJFHSA-N 437.518 1.908 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508940627 YYVMVYIJOHIQEJ-KRWDZBQOSA-N 449.519 1.865 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 509003132 VDOPRXZHBOVPSP-LJQANCHMSA-N 427.505 1.913 30 10 IDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 512708815 WCXFKSBJBRSSBJ-MRXNPFEDSA-N 425.511 1.563 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1C[C@H]1CCCO1 515652614 QPLPKEUZWBEKDP-GOSISDBHSA-N 441.553 1.517 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 519067177 XJRJWPDFHGSPCF-KDOFPFPSSA-N 426.525 1.376 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1 520977432 POBYFRHMJXBAPO-QGZVFWFLSA-N 430.511 1.288 30 10 IDEE N#Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)ccc1Cl 555305219 WIXXLGJVQARNFU-INIZCTEOSA-N 426.860 1.946 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 565393896 RDOKKUGJCGTNGG-FQEVSTJZSA-N 429.484 1.852 30 10 IDEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 578888482 ZXBMTKDLLJQTKG-UHFFFAOYSA-N 446.983 1.983 30 10 IDEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 581638129 FPBJFMIWXIRMMS-UHFFFAOYSA-N 443.403 1.930 30 10 IDEE C=C(C)COCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 582204286 OUBLJPILTLWBKJ-UHFFFAOYSA-N 425.551 1.344 30 10 IDEE N#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc(O)n(Cc2ccc3c(c2)OCO3)c1=O 585155015 WDRGYFRBAHWICK-UHFFFAOYSA-N 435.352 1.758 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3cccnc3-n3cccn3)CC2)cc1 604167585 HRPVTYXOIYDHHT-UHFFFAOYSA-N 429.484 1.812 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2cccc(Br)c2)CC1 604178723 BVYOHEKHPLQBJR-UHFFFAOYSA-N 425.327 1.457 30 10 IDEE COc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1[C@]1(C)NC(=O)NC1=O 609233777 XZWCYQQQWQCJGY-IBGZPJMESA-N 432.433 1.239 30 10 IDEE N#Cc1ccc(CSCC(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615486750 ONJWWVYGPWYMLG-UHFFFAOYSA-N 430.555 1.788 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 644637763 JTMRZQJGEWPVBQ-UHFFFAOYSA-N 433.534 1.391 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C)cc1C 727415089 HZLIABDDFMFUPP-UHFFFAOYSA-N 437.521 1.765 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 749531130 SRJSAFIPUUQZAZ-UHFFFAOYSA-N 431.504 1.393 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@H]1C(=O)O 757274018 GKQNLYVLLDKJKI-RTOPAQNCSA-N 448.475 1.963 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccco2)cn1 763465398 YQAVKAHCKHONCQ-KRWDZBQOSA-N 445.545 1.925 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 768307876 IFJAEBOMBWQZEG-NRFANRHFSA-N 448.545 1.727 30 10 IDEE C#CCN(C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)[C@H]1CCS(=O)(=O)C1 774188042 RQNSMHOBFFZMFN-IBGZPJMESA-N 447.557 1.061 30 10 IDEE CCc1c(C(=O)O[C@H](C#N)Cc2ccc(F)cc2F)cnc2c1c(=O)n(C)c(=O)n2C 774335150 POBSRZUITCQSAW-ZDUSSCGKSA-N 428.395 1.764 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3ccc(N4CCCC4=O)cc3)CC2)o1 775275332 KHDVDNJKJGPSBH-MRXNPFEDSA-N 436.516 1.981 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 777742405 GECMDUGYXMMYIZ-UPTRSRDDSA-N 435.843 1.410 30 10 IDEE C[C@]1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCN1Cc1ccccc1 777896701 CTSZBVMVMGWNLW-JOCHJYFZSA-N 426.542 1.896 30 10 IDEE C#CCN(C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 778561160 DAWSQOQNIPIITD-HNNXBMFYSA-N 430.592 1.768 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C1 799258040 YOBGSGBTRWWUGN-XJKSGUPXSA-N 427.461 1.237 30 10 IDEE Cn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800762654 DQVULSISIKIHOO-GOSISDBHSA-N 441.561 1.443 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(O)(c4ccc(F)cc4)C3)CC2)cc1 802622514 DIZKZIDPBMCJIW-UHFFFAOYSA-N 443.500 1.828 30 10 IDEE C[C@H](OC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N(C)CC(=O)NC1CC1 803866118 RIBCNSPYSJJNQY-AWEZNQCLSA-N 430.480 1.582 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 805129963 UNKQGMJZYYZDTP-IBGZPJMESA-N 430.571 1.816 30 10 IDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 805916068 QJLRXKOHYZVWIY-NSHDSACASA-N 438.462 1.272 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 812185599 AGDBRYNLPNJCNG-QGZVFWFLSA-N 434.541 1.831 30 10 IDEE CCOc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)cc1 813562915 NIGWQHMXPYMQSJ-YOEHRIQHSA-N 449.577 1.219 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ncc(Br)cn3)CCC2)c1 1156428638 TYWLFYKCJIUFGP-UHFFFAOYSA-N 449.330 1.960 30 10 IDEE C#C[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1 1159761697 HWACAGGZPRVKIT-AWEZNQCLSA-N 434.470 1.237 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1161393262 NDAVNZORNBMBRD-QGZVFWFLSA-N 428.466 1.733 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncc2c(n1)CCOC2 1165261775 QZYQVKWEPYKUBJ-QGZVFWFLSA-N 443.529 1.463 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1167275690 QAHVWDXMVRKKKP-VQIMIIECSA-N 442.541 1.624 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)OC)s1 1171270700 KBYWPHYILSZSNF-ZFWWWQNUSA-N 430.548 1.229 30 10 IDEE C#CCCN(CCOC)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1216039030 RTMRUPGPCQQBEG-UHFFFAOYSA-N 438.550 1.277 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1286298027 ZOSNFHKSHVIIDK-VQIMIIECSA-N 447.561 1.320 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2n[nH]c(C)n2)CC1 1286474657 OMLFOKFSHCVCST-UHFFFAOYSA-N 436.520 1.387 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCCCCC2)CC1 1286490675 OQVKQBJLTSQQBT-GOSISDBHSA-N 442.564 1.280 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1 1286546808 LQYWGWOYQZETMN-NJAFHUGGSA-N 439.582 1.652 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1286563470 QFSAZQPINFPCGU-FUHWJXTLSA-N 444.580 1.484 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1286700584 PBELTOHSZIKTGB-MSOLQXFVSA-N 441.598 1.830 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1286766636 TZMIPZKPVPLMKB-UHFFFAOYSA-N 434.541 1.631 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286786310 BEZUWPZFMDYNTQ-OAHLLOKOSA-N 442.545 1.742 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286825222 OFYVPMFYATWLOI-KRWDZBQOSA-N 431.566 1.745 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@](C)(C#N)C1 1297785550 KARGDSMZIDSFMP-SFHVURJKSA-N 437.595 1.703 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1300479913 VCNGPLVENPTOMX-HNNXBMFYSA-N 439.607 1.282 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300502685 VXZVQOHYIINFRB-QZTJIDSGSA-N 449.602 1.830 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300503812 FXUPBLBETKOAHC-OAHLLOKOSA-N 447.586 1.696 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F 1300605884 BHLCORSITMTWTE-UHFFFAOYSA-N 425.461 1.189 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1300664012 MUZLYVVVELZNJO-SFHVURJKSA-N 446.621 1.677 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@@H](C)N(C)C)CC1 1300698457 SQZQQAKZEBJAMA-GOSISDBHSA-N 448.575 1.380 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCC[C@@H]2CO)CC1 1300703653 NZGKBDOOCRYMPN-JOCHJYFZSA-N 437.592 1.256 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(C)(F)F)CC1 1300716844 SPCMCAWQHJUNPI-OAQYLSRUSA-N 439.507 1.941 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300843382 AQLNUVDNKQDIKD-AWEZNQCLSA-N 439.358 1.879 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1300972021 FJFPJAVAOXNARR-UHFFFAOYSA-N 428.541 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOCC2(CC2)C1 1301492774 NNYOLKFNBFRJEZ-UHFFFAOYSA-N 427.505 1.881 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1301808585 GEINHZXRPPKIPH-HBIPHATFSA-N 445.611 1.094 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1cc(C)oc1C 1302310719 CQHIOLIQDMJQIG-YZIUBNRHSA-N 445.520 1.848 30 10 IDEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302813333 GMUNWAYXXGUZNK-INIZCTEOSA-N 426.550 1.576 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3cccnc3C#N)CC2)cc1 1307342402 GJABSPCLODHJHN-UHFFFAOYSA-N 444.538 1.781 30 10 IDEE CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C[C@H](O)c1cccc(C#N)c1 1307910169 UQVMQPPBRFBPIK-QFIPXVFZSA-N 436.512 1.312 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCOC1 1314701530 OQLKIBSYFCUXQL-MRXNPFEDSA-N 436.476 1.107 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)c(OC)c1 1315424237 RGGZEQAINAMSPM-IIBYNOLFSA-N 429.477 1.497 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1359033978 XQXCMGGWURMPPO-UHFFFAOYSA-N 449.534 1.537 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1359133761 YYDZLNYHMDGTTH-KRWDZBQOSA-N 439.582 1.078 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)C1 1359313635 PFYQLWQIQKTXMR-ZBFHGGJFSA-N 437.570 1.068 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3c(F)cc(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1460880674 INIXWHDXRXFOKX-BJOHPYRUSA-N 434.262 1.536 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)C1 1473824403 IASPBBJSNUOQOE-JSJNYSNDSA-N 425.551 1.273 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCCC(=O)N(C)C)CC2)c1C#N 1492727000 DUCYAEJMIJMFIO-UHFFFAOYSA-N 441.584 1.684 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cnccn2)n1CC(F)(F)F 1494135776 HBWHZXULNAZBDL-LBPRGKRZSA-N 430.398 1.674 30 10 IDEE Cn1cc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 1503656012 HXRRVJLOUXUHHT-LJQANCHMSA-N 439.545 1.806 30 10 IDEE CN1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1503685044 MPOLXVREMLATST-KRWDZBQOSA-N 444.971 1.748 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H](C)C2)C[C@H]1O 1503882085 RAKMGBBLEWKKQQ-SMMRIJLZSA-N 439.516 1.992 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1504123531 ACRHWCDWMXEOGT-NRFANRHFSA-N 444.467 1.263 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1504691642 AKSXTDUNRIGPIK-KRWDZBQOSA-N 430.534 1.325 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507523831 QEVYFOVBODPKNF-JPWUFHEYSA-N 425.880 1.978 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1507588169 GTTFREUFYYGFNT-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507589989 UACMTXOHYQUQJE-UHFFFAOYSA-N 429.532 1.918 30 10 IDEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507591140 KMZCUHBLGMTOFA-UHFFFAOYSA-N 436.560 1.764 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1507638164 DTWLIUWPSHNKFZ-KRWDZBQOSA-N 434.566 1.191 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](CC)OC)CC1 1507723647 PONNWQNQGZEMEC-KRWDZBQOSA-N 445.593 1.418 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1507723700 RDCYUUUKZKFRJF-OAQYLSRUSA-N 437.592 1.761 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(C(N)=O)c2)CC1 1507724000 COGPVNGTKQSVAY-UHFFFAOYSA-N 429.528 1.361 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)C(C)(C)C)CC1 1507738117 KBUXLLMNIHJUJR-IAGOWNOFSA-N 430.553 1.256 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(OCC)CCCC2)CC1 1507738716 WNRHLTIQDNCNMT-UHFFFAOYSA-N 439.564 1.994 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507842917 FLCPEOFXVYZBPL-MSOLQXFVSA-N 445.568 1.404 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(S(C)(=O)=O)CC2)CCOC1 1509793999 XAVKACFRRPLZDD-HNAYVOBHSA-N 425.555 1.634 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1519392632 JPLHDVMRGLLOFO-QFIPXVFZSA-N 440.504 1.901 30 10 IDEE Cc1c(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)ccc(Br)c1C#N 1529588034 GFFCSWPDIJMMSM-UHFFFAOYSA-N 430.262 1.771 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1539013197 IDLOSOINLBPRNI-YQVWRLOYSA-N 447.561 1.536 30 10 IDEE C#CCN(c1nnc(C)n1CC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1539206235 NPBVJKXCJMFDNY-HXUWFJFHSA-N 427.574 1.312 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(C)CC2)CC1 1539468944 KJSHIMFEPPGVNO-OAHLLOKOSA-N 436.582 1.044 30 10 IDEE Cc1cc(N2CC[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)n(C)n1 1539746648 DEUSCOLCUZABOP-CVEARBPZSA-N 432.525 1.927 30 10 IDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(OCCOC)CCOCC1 1540068850 CYTYPQQJYUAVHG-UHFFFAOYSA-N 433.509 1.840 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1540873497 ZTCVGQSMQQMXAL-UHFFFAOYSA-N 437.548 1.405 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540874152 WXNRJQJPCYKZIQ-QHCPKHFHSA-N 440.548 1.337 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1540886795 JRDLSKJUWGNLED-NQIIRXRSSA-N 448.545 1.285 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(O)CCOCC2)C1 1540895285 OSYSGCBPBSUUGP-LJQANCHMSA-N 430.553 1.853 30 10 IDEE CC(C)(C)OC(=O)NC1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)COC1 1541207449 LRWVEOJRPSOLIA-HUUCEWRRSA-N 434.497 1.152 30 10 IDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1541968644 FNHBDXDDEUQVAZ-ZWQIFLOQSA-N 431.468 1.826 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC(=O)N1C 1545059312 JHBJPATYNHRNOG-QFBILLFUSA-N 440.504 1.201 30 10 IDEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(=O)NC)n1 1548369644 YZXQIMDARLKLJZ-KRWDZBQOSA-N 434.422 1.870 30 10 IDEE N#Cc1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCC(OCC(N)=O)CC2)o1 1555989672 PCQIZXFRJWRLAC-UHFFFAOYSA-N 438.463 1.992 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1556375494 KUTSKDHDFFKSPT-LJQANCHMSA-N 449.529 1.275 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1557977403 DUYOOFVWOVANLH-UHFFFAOYSA-N 426.473 1.833 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 1558075542 XOAOWJKIMHVCFI-UHFFFAOYSA-N 425.554 1.700 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1586900042 ZSXFFFBOKQZHTR-ORAYPTAESA-N 428.917 1.859 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1587639080 KFYCZEJIAPCZSN-AEFFLSMTSA-N 432.546 1.864 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1588229572 YMHBJRMFLXBVQT-FQEVSTJZSA-N 430.549 1.847 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CC1 1588310051 NHLDORXZARNWNO-GDLZYMKVSA-N 434.591 1.609 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncn(C)n1 1588473519 OHNITAYXCNAUEK-JOCHJYFZSA-N 439.495 1.886 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588871682 NADNPSFSLMKLER-RDPSFJRHSA-N 439.560 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[S@](=O)C(C)(C)C)CC1 1588913331 HJSPJUKGNXMWJH-PMERELPUSA-N 430.578 1.786 30 10 IDEE C=C(Cl)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593932090 DZYHKYBVFXVGTL-HXUWFJFHSA-N 440.976 1.281 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1594668910 MMSGZAJNTIJMFT-GOSISDBHSA-N 431.585 1.515 30 10 IDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1594896571 ZEGDKGZNSGTAHB-HNNXBMFYSA-N 435.550 1.866 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595544821 MGPCZZUUNXDPAE-LAUBAEHRSA-N 429.525 1.307 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1595776842 GJRLLLRDLKBNKG-UHFFFAOYSA-N 447.536 1.792 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(Cc1ccccc1)[C@@H](CO)C1CC1 1597703804 DKWDVUNQQHXRGP-IBGZPJMESA-N 427.526 1.915 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1598157875 DEPCTXOTAPBDMG-UHFFFAOYSA-N 447.538 1.455 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1607506848 GEVCTTVFPGELMG-VZCXRCSSSA-N 438.536 1.578 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1610444723 CZANATXPDKVIMA-LEWJYISDSA-N 446.483 1.670 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1619990405 SHEYOMHVNAFWQR-KDOFPFPSSA-N 429.518 1.269 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cncc(C(=O)OC)c1 1622563501 VDPVPRBHOSYFPW-UHFFFAOYSA-N 437.518 1.892 30 10 IDEE C=CCC[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C)C(=O)OCC 1624303825 NLZZEISXQSCGHH-UXXRCYHCSA-N 430.423 1.986 30 10 IDEE C=CCN(C(=O)c1cc(S(N)(=O)=O)ccc1O)[C@@H](Cc1ccccc1)C(=O)OCC 1632980888 GGQCDBYUKNGJOZ-SFHVURJKSA-N 432.498 1.842 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(C)ccc2Br)CC1 1636250014 NKUQVBBFMODGKY-UHFFFAOYSA-N 429.340 1.052 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1637389714 KVURUUJWABQUGV-QZTJIDSGSA-N 436.553 1.526 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC 1639515566 UVJXBQWFAJDYDC-CVEARBPZSA-N 441.525 1.143 30 10 IDEE C[C@]1(C(=O)NCC#CCO)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1639534195 OIQYUURXVJBXDW-SSOJOUAXSA-N 434.492 1.873 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCC(=O)NCCN3CCCCC3)ccc2c1=O 1640694439 DAHLUBITCXVCHG-UHFFFAOYSA-N 429.546 1.203 30 10 IDEE C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 1642915644 GUJYLQLJBRHCOQ-AWEZNQCLSA-N 435.527 1.160 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1644596794 MNXIZEZRIABXBS-INIZCTEOSA-N 437.537 1.553 30 10 IDEE N#C[C@@]12CN(C(=O)COc3ccc(C=O)cc3Br)C[C@H]1CS(=O)(=O)C2 1645270446 SBSDNTRNFRLLQA-LRDDRELGSA-N 427.276 1.037 30 10 IDEE C#CCNC(=O)CN1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1 1645867431 KUMIKJYGRJHNGP-FPOVZHCZSA-N 428.533 1.211 30 10 IDEE N#C[C@]12CN(Cc3cc4c(cc3Br)OCCCO4)C[C@H]1CS(=O)(=O)C2 1654975997 ZONLNMYIFRUMHJ-SUMWQHHRSA-N 427.320 1.981 30 10 IDEE CC(C)N(CCCNC(=O)CN[C@@H](c1cccc(C#N)c1)C(F)(F)F)S(C)(=O)=O 1655409393 FTYKNWGWLACLEQ-KRWDZBQOSA-N 434.484 1.928 30 10 IDEE C=CCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1655643381 XNKUBTMLVLKAQG-DLBZAZTESA-N 442.582 1.760 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1 1656542627 SGBKMJSGFCFXAA-UHFFFAOYSA-N 442.497 1.133 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1 1662679329 SXSZDMFNTJQLFC-NRFANRHFSA-N 439.537 1.997 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1689842655 GFUYZEHVBQTJMO-DIGCTUSJSA-N 434.456 1.658 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689992768 OLWOTUVGESTVSA-LJQANCHMSA-N 444.532 1.981 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOC[C@H]2C)CC1 1690132229 LRRFKHCLNBNXPU-OAQYLSRUSA-N 438.576 1.641 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690172357 CYHOZNIKPBFZCC-HZPDHXFCSA-N 444.565 1.418 30 10 IDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690530168 IJSSKCUSZVTCQP-MRXNPFEDSA-N 429.550 1.420 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1690648176 LPNSWAGPMAPTGA-LJQANCHMSA-N 440.548 1.148 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCC=CO1 1692535308 BALXFRPSAIAKAB-SFHVURJKSA-N 436.520 1.702 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1693564627 ZTADGYGNVOWVML-DNZUHHBVSA-N 429.525 1.060 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCOCC(F)F 1693750587 WEMRRSYCXRDRDY-AWEZNQCLSA-N 434.447 1.677 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1694211553 DIEVTDRCCUNPCK-INIZCTEOSA-N 435.532 1.933 30 10 IDEE CO[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1697131381 CYKHTKUFIBJXPL-MISXGVKJSA-N 442.439 1.298 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705534830 STJCDFPXMBWULI-FXAWDEMLSA-N 425.489 1.545 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705598693 OYUBVOOIVYTMMD-XUVXKRRUSA-N 445.589 1.449 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N1CCOCC1 1705836384 QSJSZSSEWDMOFW-UHFFFAOYSA-N 437.342 1.917 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705894868 NHDXOBZEPZQAAV-QGZVFWFLSA-N 449.519 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705935837 FAULYMQGBFISOU-QGZVFWFLSA-N 446.577 1.407 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1722332213 GKZTWBQTVSZBHX-APWZRJJASA-N 439.607 1.358 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC=CO2)CC1 1722443362 HSBUASQGQGPEMC-XXBNENTESA-N 443.548 1.589 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(N(C)C)CCC2)CC1 1722447746 NAVUTGCPSXNJRI-IBGZPJMESA-N 428.581 1.622 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722691177 OUVCGNVRIWKYMF-ZYSHUDEJSA-N 443.504 1.681 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(C)(C)O)n1 1724512094 HWHFQAFHZKJDMC-UHFFFAOYSA-N 435.536 1.660 30 10 IDEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1730490632 BVLCGCQSNQSKKN-RBUKOAKNSA-N 442.495 1.835 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740630509 IYONPMMXDDZMHK-LVCYWYKZSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740656906 RMXANXVQGXXILN-KRWDZBQOSA-N 446.602 1.378 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)N[C@H](C)CC)CC1 1740697246 WZTFELQFHBHZFN-LJQANCHMSA-N 438.576 1.938 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccco2)CC1 1740705280 FGXAENDFINCHQZ-MBSDFSHPSA-N 441.532 1.639 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](C)(C(=O)NC)C1 1740752504 XKKGAPCKELUKKJ-QLDGJZPUSA-N 435.569 1.946 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCN(C)C1 1740773213 WNWPQBQSTPWLOG-OAQYLSRUSA-N 447.609 1.707 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1)C1CC1 1740910924 ULBRHYSTZLFIQI-UXLLHSPISA-N 427.546 1.904 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1740957315 JOKXADKEHJHAMP-UHFFFAOYSA-N 429.488 1.236 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CC2)C1 1740970162 FWSJEQIEDALMSN-OAHLLOKOSA-N 446.533 1.284 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1740973014 QADPEJJOBJYCAE-REWPJTCUSA-N 447.580 1.970 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2cccnc2N2CCOCC2)C1 1740985098 NSIHZVALWMBJNU-LJQANCHMSA-N 428.537 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2)C1 1740985339 FTLDNMVAGLBMLE-GOSISDBHSA-N 447.561 1.595 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740993346 YFVNQTSYZQVFOR-LJQANCHMSA-N 441.561 1.041 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1741124057 CSMVIRNJTQBKJJ-CABCVRRESA-N 432.550 1.605 30 10 IDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1741295416 YQVSKKXFCXJVIC-NRFANRHFSA-N 427.509 1.908 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCCCN1CCCC1 1741917907 JZRVZIXLTPURLN-QGZVFWFLSA-N 437.614 1.894 30 10 IDEE Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742820903 VNLUOGWZYDTBGF-UWZWCOGJSA-N 428.415 1.661 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCS1 1743246106 VJFYYBGNCGUJJM-OAHLLOKOSA-N 435.575 1.820 30 10 IDEE CC/C=C\Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1745076541 IEGFEZFGJJVHKJ-KEGWNNHHSA-N 430.534 1.890 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1748661928 OFOFFSAPTWZRLX-ZDUSSCGKSA-N 433.563 1.485 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748810522 XMKGQPOMFQYHMR-KRWDZBQOSA-N 430.530 1.495 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1748858038 KMDJTNXBOZXVHQ-SFHVURJKSA-N 447.948 1.386 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1748901256 VEPPXYMKYAIJLJ-KRWDZBQOSA-N 436.482 1.748 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2COC)CC1 1748978868 QZGQSJLKRFZDNO-DEOSSOPVSA-N 439.560 1.880 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1748999090 HZNJCVBJKWNZRG-CVDCTZTESA-N 425.533 1.461 30 10 IDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749084696 UBNRRFKGWVVILM-QWHCGFSZSA-N 446.309 1.549 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(=O)(=O)CC 1749126285 ANEMUNQTCAFSLU-VYDXJSESSA-N 425.555 1.081 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749242004 YUTDYNPYINJWOL-YADHBBJMSA-N 449.552 1.942 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749450550 LIDYYNHURKWVFH-INIZCTEOSA-N 425.555 1.120 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749450740 RJILDTGYZANBQZ-SFHVURJKSA-N 432.569 1.848 30 10 IDEE C=CCCOCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1749460603 CXSJRWMBGAJGSI-VLCRHTCISA-N 436.553 1.907 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1749465220 QJCBYQDREGVINI-MRXNPFEDSA-N 446.577 1.681 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnn(C)n1 1749544125 AEBXFALKWPICGZ-LPHOPBHVSA-N 442.499 1.906 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750049312 HILHHZBBUXKGPB-IGGDJGDASA-N 430.509 1.314 30 10 IDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)NCc1ccccc1 1751929858 YASKDQRUXPTFSQ-UHFFFAOYSA-N 430.516 1.886 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1760218456 HAKLYLIESJYCNL-AVRDEDQJSA-N 432.590 1.974 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N(C)C 1760245844 MQRUZIRSFBJFPY-UHFFFAOYSA-N 442.545 1.471 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccccc2OCCOC)CC1 1760270275 NSLPSHWJRDFJSV-UHFFFAOYSA-N 425.533 1.880 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1760317837 BBYCHPNJJJPNOU-XLIONFOSSA-N 426.521 1.616 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1760464497 INOKRRIIVMHWAH-SFHVURJKSA-N 431.562 1.747 30 10 IDEE CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1760984576 CPDWKGKEMQYJAO-SJORKVTESA-N 445.593 1.975 30 10 IDEE Cc1n[nH]cc1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1761607208 BXXOGJBUKCZPBF-HNAYVOBHSA-N 434.570 1.683 30 10 IDEE Cc1ccc(OCc2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1761822029 CKDQFDMFWBLYCL-UHFFFAOYSA-N 444.517 1.664 30 10 IDEE CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1765319917 UONQPAPQHPSWJX-XUSASHMSSA-N 430.509 1.660 30 10 IDEE CCN1CCN(c2ccc(Cn3c(N4CCO[C@H](C#N)C4)nnc3C(C)(C)C)cn2)CC1 1765508867 TZBBFDIFUJLEOO-LJQANCHMSA-N 438.580 1.890 30 10 IDEE CCSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766816922 LIHSCWJIILPYBA-GOEBONIOSA-N 441.627 1.208 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1768293036 RGSOBWQMAUZBDQ-KRWDZBQOSA-N 432.550 1.617 30 10 IDEE COc1ccccc1OCc1nnc(N(C)[C@H](C)CC#N)n1CCN1CCCS1(=O)=O 1770495428 GHIOJEDXNRSLPT-MRXNPFEDSA-N 448.549 1.640 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1770754562 YCDYATMFDNDOGU-MXLIYFDZSA-N 425.493 1.438 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1770785871 IMWSCSJIYSEOFV-GOEBONIOSA-N 438.529 1.776 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1771223369 VRVILIPAMRGEHM-BEFAXECRSA-N 428.493 1.738 30 10 IDEE C=CCN1CCN(C(=O)CN2N=C(c3nc(-c4cccc(F)c4)no3)CCC2=O)CC1 1848511416 FISFUUSRRPCSBR-UHFFFAOYSA-N 426.452 1.532 30 10 IDEE N#Cc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c(F)cc1F 1849993223 ZTCUAZRCUQJBBB-JTQLQIEISA-N 440.394 1.561 30 10 IDEE Cc1ccc(-n2c(C)nn([C@@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)c2=O)cc1 1851703530 UNOCGXAGPOMDPG-KRWDZBQOSA-N 431.500 1.827 30 10 IDEE CN1CCN(c2nc(NC(=O)c3cc(Br)cn3C)c(C#N)cc2C#N)CC1 1852038074 ONUIIAPCBQPGQG-UHFFFAOYSA-N 428.294 1.930 30 10 IDEE CCc1nc(N2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)c2c(n1)c(C)nn2C 1852394073 DWAZTHRVKFUSDS-UHFFFAOYSA-N 447.499 1.726 30 10 IDEE CN1C[C@H]2C[C@H]1CN2C(=O)CCON=C(N)c1nnn(-c2ccccc2)c1-c1ccncc1 1853443148 GILULNKPPXUYFO-RBUKOAKNSA-N 446.515 1.271 30 10 IDEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(Cc2nncn2C2CCCC2)CC1 1853545541 RJUHOAOZRZJBSW-UHFFFAOYSA-N 428.541 1.103 30 10 IDEE C[C@H]1C(=O)N(C(=O)C2CC3(CCOCC3)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854640340 JCBSMHFHJWDJSX-HNNXBMFYSA-N 431.514 1.513 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2nccc(Cl)c2F)CCN1S(=O)(=O)c1ccccc1C#N 1855718236 OLBMYWNGMWOPOY-LLVKDONJSA-N 436.852 1.808 30 10 IDEE C[C@@H](Oc1ccccc1F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857063887 LMOZMQNKKXLVDG-ZBFHGGJFSA-N 437.493 1.533 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 1858334802 IPXHSOAWPXSHTD-HNNXBMFYSA-N 425.919 1.953 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCn2ccnc2)c(C(=O)OCC)c1C 1860760970 KEWAUBWTZGFEEB-UHFFFAOYSA-N 448.501 1.918 30 10 IDEE CC(C)(C)OC(=O)N(CCN)C(=O)CNC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868782555 KGZNTAFQWVJXKB-INIZCTEOSA-N 449.577 1.863 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873591829 SLFCLMSUHQRDGG-CALCHBBNSA-N 440.548 1.973 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1 2013201300 VWRBNBWJUPSWKG-GFCCVEGCSA-N 425.345 1.983 30 10 IDEE C=C(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2020861925 JQMDWQAJUKQSEG-AWEZNQCLSA-N 444.359 1.228 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2184061591 KMALWUOFDFAFCZ-RRFJBIMHSA-N 440.294 1.990 30 10 IDEE Cc1cc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247831634 BEVUWYDUWFWNEF-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE Cc1c(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823540 WJMLQVSNEJNBQR-AWEZNQCLSA-N 434.346 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H](F)C1 2255827767 MOMYYZUDVJPDQV-ZIAGYGMSSA-N 438.309 1.786 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067572 QMDHYOSSISNCKW-KBPBESRZSA-N 432.330 1.666 30 10 IDEE COC[C@@]1(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2256624368 WBODFXOGGWWWRF-OAQYLSRUSA-N 440.346 1.943 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266994126 QIPIERNTFWWJCP-KBPBESRZSA-N 446.357 1.623 30 10 IDEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267112087 BLBVTJKEBIBLLT-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267128394 QFQVIJGAXGXAIE-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2267178525 DGKPJKVFYDUHAN-LZWOXQAQSA-N 446.357 1.847 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1ccc(C#N)cc1 11400468 QBBRVFPOXDWJCO-UHFFFAOYSA-N 443.481 1.683 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1 27165616 MZDCWNGCUOZDHY-UHFFFAOYSA-N 446.507 1.543 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 28998295 AFVFQJDUXSJIJM-OAHLLOKOSA-N 444.469 1.767 30 10 IDEE CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2cccc(C#N)c2)CC3)n1C 33141842 JCDPVMQRTDWTKD-UHFFFAOYSA-N 443.558 1.946 30 10 IDEE COCCCN/C(=N\c1cccc(C(=O)O)c1)N1CCN(CC(=O)NC(C)(C)C)CC1 46021919 WSNHCRBVJSWJIW-UHFFFAOYSA-N 433.553 1.531 30 10 IDEE CCn1c(=O)[nH]c2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)ccc2c1=O 109890435 PBGKPVSFLPSTGO-SFHVURJKSA-N 449.492 1.735 30 10 IDEE CS(=O)(=O)[C@H]1CCN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)NO)cc23)C1 136865004 CMRRBALXYBZUJR-KRWDZBQOSA-N 446.504 1.962 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 427686131 PSACAMVHCVWKFQ-ZJUUUORDSA-N 428.367 1.088 30 10 IDEE COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)c1 433758486 LHLNUKGRWMSVLZ-UHFFFAOYSA-N 432.437 1.511 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@H]1CCCO1 447264269 AZHJQTJCUSWTBT-GFCCVEGCSA-N 437.974 1.831 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1C#N 489288786 IKUZNMUUTUEQGB-UHFFFAOYSA-N 440.469 1.239 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)COc2cccc(I)c2)CC1 492870979 IDMCLSPTJNWZMJ-UHFFFAOYSA-N 443.285 1.116 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@]2(CCOC2)C1 508462847 ASODEOVOZBKHRU-HXUWFJFHSA-N 432.550 1.728 30 10 IDEE C=CCN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@H]1CCS(=O)(=O)C1 542950045 NTFWCVMQYJKNIZ-JTQLQIEISA-N 429.292 1.595 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1=O 543047509 UJOIHUUOBCNBJO-AWEZNQCLSA-N 441.435 1.780 30 10 IDEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)s1 545509971 KBXGBKDSJOFXMQ-UHFFFAOYSA-N 448.574 1.442 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 546168615 KYAJZHPRWKVNBQ-QGZVFWFLSA-N 445.570 1.825 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 549522353 YXNHXIVWGLDCDA-UHFFFAOYSA-N 430.534 1.177 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(CCn2cccn2)CC1 558454974 QVLRZHGHCSURAU-UHFFFAOYSA-N 435.536 1.909 30 10 IDEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 559005817 YQALFOPNMRYOJD-HNNXBMFYSA-N 445.321 1.431 30 10 IDEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@H]2CCCO2)c1C 590052181 WBTJQAMAZJZRAJ-GOSISDBHSA-N 448.548 1.825 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 655120011 OMFHRPTYLBUAES-QGZVFWFLSA-N 447.516 1.878 30 10 IDEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O 732468154 DWESLQHIPFUUAA-BQASMSSTSA-N 431.880 1.613 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(I)c1 739945047 LASGGKOFQGSHJA-GFCCVEGCSA-N 439.296 1.102 30 10 IDEE Cc1cccc(C2(O)CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1C 742101531 QGWMHLDOLRNGPP-UHFFFAOYSA-N 427.526 1.852 30 10 IDEE O=C(NCC#CC(=O)N1C[C@H](O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 757471579 SGNDAEYCXJHXNO-VFNWGFHPSA-N 434.448 1.575 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cnn3ccccc23)c1=O 758053502 IBKZCHYZLGZLKY-UHFFFAOYSA-N 440.484 1.585 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CCOC 769874450 USLKHMVFQHKNRD-UHFFFAOYSA-N 433.599 1.944 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 774050973 VAZXKFGGXMHQJV-INIZCTEOSA-N 430.486 1.622 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 791028824 KJJUVYCWOPFZTO-UHFFFAOYSA-N 438.513 1.121 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C#N)cn1CC 1130010749 NKIIEVWUMGZXAV-YEJXKQKISA-N 429.477 1.996 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 1149109277 TVZCSXJSZGWBMU-SFHVURJKSA-N 440.587 1.065 30 10 IDEE COc1cc([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1OCCO 1150728344 YCNVEXWMYXTNCW-ZDUSSCGKSA-N 436.461 1.994 30 10 IDEE C=CC1(CC(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 1155539352 STDQPQOHIXHUNJ-UHFFFAOYSA-N 430.523 1.036 30 10 IDEE COC(=O)Cc1ccccc1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1157588878 PMFKECNMKRYEED-UHFFFAOYSA-N 429.498 1.537 30 10 IDEE COC(=O)C[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1160198335 WIBCBOKYODHMAF-VLIAUNLRSA-N 430.486 1.215 30 10 IDEE C#CCN(CC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C(=O)OC(C)(C)C 1175037626 IZFUTGRFHLBZBR-INIZCTEOSA-N 437.537 1.696 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1248519021 WEEKMZDKXAAGIM-UHFFFAOYSA-N 448.524 1.556 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 1286360427 GPQDQNXCKVUNNN-HOTGVXAUSA-N 436.607 1.856 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393538 LKWDGMGLJJHDQJ-FCGDIQPGSA-N 436.578 1.471 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286497031 YZFDSWGPUPICTJ-HRCADAONSA-N 427.596 1.260 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286537693 HWJMNZQQDVIGAW-GJZGRUSLSA-N 441.374 1.685 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1 1286546730 LKROTCRPVLQUSU-UAGQMJEPSA-N 437.570 1.239 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1286806320 WTRRPWRRPYCSSZ-HTAPYJJXSA-N 442.520 1.254 30 10 IDEE CC(C)=CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1287106148 NAUUOYKQYQNBLQ-GOSISDBHSA-N 437.552 1.826 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1291840859 ONCPMYQQTQLBKT-DLBZAZTESA-N 441.536 1.332 30 10 IDEE COCc1nc2n(n1)C[C@@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2 1294664526 GJVRQUKELKYSDJ-XXUFKVEXSA-N 444.536 1.642 30 10 IDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1295542932 FKIUBQSYDUPJQJ-SFHVURJKSA-N 439.564 1.842 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C#N)C1 1297768431 IHGQBTPRNCAKOZ-GOSISDBHSA-N 432.550 1.236 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1300321818 OAUHQDWQZCNPDF-MRXNPFEDSA-N 430.534 1.514 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1300499556 URLMPMPTRFLWJT-IBGZPJMESA-N 437.525 1.645 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1300650725 XILMVDCUQFZTEX-SJLPKXTDSA-N 433.553 1.909 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300862809 FZJMWUFPVAFYOZ-CQSZACIVSA-N 448.387 1.946 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301617285 BJTUQZDOSSMQME-KRWDZBQOSA-N 431.566 1.631 30 10 IDEE C#CCC1(NC(=O)CNC(=O)c2ccccc2I)CCOCC1 1303778375 WMBNEKAUQYGXKU-UHFFFAOYSA-N 426.254 1.710 30 10 IDEE Cc1ccccc1-c1nnc(N2CCNC(=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1304537825 DYPXADOCSGBZOV-XUTLUUPISA-N 435.488 1.106 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)C1=O 1305877793 JPVOQENLZOVWKG-ZNMIVQPWSA-N 434.493 1.258 30 10 IDEE CCCN1CCC(N(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1307051541 ITWGQWFCNBECND-VZCXRCSSSA-N 427.553 1.993 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)OC 1316205404 OMAMDHJIAXKZNE-IRXDYDNUSA-N 429.525 1.630 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCOCC2)CCO1 1316539714 FTOJTDFBYONRBR-LJQANCHMSA-N 430.484 1.447 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316540356 UONWPTWKZIDXJV-BHIYHBOVSA-N 442.495 1.732 30 10 IDEE C=CC[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1322586397 TUPSQWPHNRKBJS-SWLSCSKDSA-N 447.351 1.035 30 10 IDEE N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c(F)c1 1352214588 ALGBLNVUARCYMD-CQSZACIVSA-N 437.474 1.415 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2cncn2)nc1 1358997213 JRROOZAGIUSJMQ-UHFFFAOYSA-N 440.515 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1359045896 XODBBJJSDTXGPD-SSEXGKCCSA-N 427.574 1.733 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359054450 WCKUYDQWOOKLNL-QGZVFWFLSA-N 441.605 1.439 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359056502 GNCWIXUCEFCRIJ-VQTJNVASSA-N 432.638 1.755 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCS(=O)(=O)NC 1359073993 MHINJTZWIBJYGD-OAQYLSRUSA-N 431.562 1.961 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1)C1CC1 1359246880 NUSMVJXPXWPWID-HNNXBMFYSA-N 442.549 1.672 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1359256102 UXTMYNHNKCMCAE-HNNXBMFYSA-N 430.534 1.477 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)noc1C 1359334499 IDGMUVSDEZRPLH-UHFFFAOYSA-N 447.565 1.982 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3cc(C#N)cs3)cc2)CC1 1439705473 HYEXPKXXNFVJTH-UHFFFAOYSA-N 446.554 1.745 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)s1 1451616449 KBCGBOQZSOYEAU-OAHLLOKOSA-N 432.589 1.181 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)s1 1452726145 LEYOEVALWAXMMS-HZPDHXFCSA-N 427.592 1.370 30 10 IDEE CCOC(=O)[C@@]1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1460665788 SGWNEXLHFKBZTE-SIKLNZKXSA-N 432.496 1.189 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)s1 1469484371 MCJSXQLKZGGNFT-YJBOKZPZSA-N 428.576 1.581 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N3CCC[C@@H](C#N)C3)CC2)cc1 1470729400 KFBLDLUWPMTIPQ-KRWDZBQOSA-N 435.550 1.092 30 10 IDEE C[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1494563104 FTAXAXGSJGTRNY-WMZOPIPTSA-N 445.545 1.636 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)S(=O)(=O)CC)cc1 1497971663 HZQGVEANWVAVCZ-IBGZPJMESA-N 446.577 1.908 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1505047585 NZMQVENVZXZJRD-LJQANCHMSA-N 447.561 1.883 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1507538547 NGLLWZFFANGVAT-HKUYNNGSSA-N 447.561 1.538 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507632531 MWQCDSLXBHOELL-QZTJIDSGSA-N 436.578 1.616 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)c1ccccc1 1507657416 YAECVVYYMOLBTC-UHFFFAOYSA-N 439.566 1.982 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1507664057 GELKVWCSHOVSCJ-UHFFFAOYSA-N 426.431 1.665 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507753321 DYYFAIQYRFMSBP-MRXNPFEDSA-N 444.586 1.620 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507801628 WOPKZXOCQAVBRL-LHHMISFZSA-N 439.582 1.470 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 1507868028 DGECAPBDBKVEPU-ZNMIVQPWSA-N 433.962 1.367 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508070794 CWRUOULWWWFLGN-MRXNPFEDSA-N 448.568 1.273 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC(N)=O)cc1 1508100442 KNRBRPFNZQMTLE-DOTOQJQBSA-N 447.561 1.493 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1508113413 XWGZPEYMFFSOHB-GOSISDBHSA-N 430.534 1.489 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cs1 1511545262 HOPLJDKSWOFUPF-RTBURBONSA-N 445.593 1.719 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1512617286 MLMGMXVJJYEYLB-XOMICKMZSA-N 441.536 1.567 30 10 IDEE Cn1cc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CCO2)cn1 1517375468 HFTINJIKINQMRC-FQEVSTJZSA-N 437.504 1.527 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C1CCOCC1 1529522171 QGYDQMREMSBYTB-OAHLLOKOSA-N 429.336 1.858 30 10 IDEE C#C[C@H]1COCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1535553054 PNIYIOXOICGYKS-HOCLYGCPSA-N 441.347 1.710 30 10 IDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CCOCC1 1538243555 FPAPDRRZFVCDEN-UHFFFAOYSA-N 432.542 1.979 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539065570 ILNSQLCNSMBXJA-INIZCTEOSA-N 426.481 1.979 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N(C)C 1539333425 DRVMIJKGOLKMBR-UHFFFAOYSA-N 443.573 1.828 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539375815 IRSLJCSPTDVQFK-UXHICEINSA-N 442.589 1.928 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCO[C@H](C)C2)CC1 1539446487 DJAIEVDCHKKFOX-RTWAWAEBSA-N 430.597 1.428 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N(CC)CC)CC1 1539460139 XUNGLCSMHXCASN-SFHVURJKSA-N 443.621 1.755 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1539642950 KEOZHPHLSDUGRX-BNDYYXHWSA-N 430.553 1.971 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCCS(C)(=O)=O 1540866533 QNAZBILSTRLKLJ-UHFFFAOYSA-N 425.942 1.772 30 10 IDEE CC(C)(C)N1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541195119 CCNZWJCVFBQLAI-QTIQAUKSSA-N 443.552 1.577 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC(=O)N1C 1545061591 UKGOBXRYAKBFKG-PBHICJAKSA-N 446.458 1.820 30 10 IDEE C#CCN(CC(=O)Nc1ccccc1OCC(=O)N1CCOCC1)C(=O)OC(C)(C)C 1545176546 MHHGRVNGOJJWBZ-UHFFFAOYSA-N 431.489 1.733 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1548315839 AKNGYMCSLATQJU-LPHOPBHVSA-N 428.562 1.924 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1554432959 AFBZRBAZVLBOAY-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(F)(F)Br)CCN1C1CC1 1555993529 PUJFHAYGZPVONK-GFCCVEGCSA-N 439.268 1.899 30 10 IDEE C=CCCC[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OC 1558381109 GSHYNHGIBVQIEY-QGZVFWFLSA-N 433.530 1.862 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)C2)nc1 1558464967 SJSRGPKNWJPVEQ-INIZCTEOSA-N 433.921 1.988 30 10 IDEE CN(C)C[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1586903788 IZNLINOHCVCFFK-ROUUACIJSA-N 436.310 1.176 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1587568882 SJIDVBNTYLKWHW-IERDGZPVSA-N 447.561 1.345 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1588857517 PBBWKVZYCUWUOU-FQEVSTJZSA-N 441.649 1.712 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1616215718 RMIINRWWHRWYNW-LEWJYISDSA-N 434.516 1.679 30 10 IDEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)n1 1618494235 LLHMVMNVZRRQTD-NSHDSACASA-N 430.270 1.008 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1618540639 SQPTYIYBQXDWTM-ITEXZYEPSA-N 441.492 1.191 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1618948510 WZCRJPHGLKSKKM-YCRPNKLZSA-N 426.477 1.795 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1624818962 BLSFYSQYBWBQIK-HOTGVXAUSA-N 437.541 1.414 30 10 IDEE CC(C)(C)OC(=O)[C@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 1628701732 GEOHCQDCZQGLQX-FQEVSTJZSA-N 437.518 1.122 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C2CCOCC2)CC1 1632551608 WLYFXOXXWMPIKZ-UHFFFAOYSA-N 434.562 1.265 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3nc(C)cc(O)n3)CC2)cc1 1635636965 JSFAZWJLYYAHTJ-UHFFFAOYSA-N 431.518 1.354 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)cc1 1637770210 UZMNRGSQBWXZIV-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE C#CCOCCN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1637865240 RYMSBBNNFRESBI-UHFFFAOYSA-N 430.482 1.980 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1639088519 FNHWFUZABKEQKP-QILLFSRXSA-N 448.545 1.693 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1640924062 FZBOXSJFHSVLSY-SSEXGKCCSA-N 442.578 1.938 30 10 IDEE CCCNC(=O)Cc1csc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1644020949 HZBTVQGLQPSMFK-GFCCVEGCSA-N 449.558 1.668 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3CCCS3(=O)=O)C2)C1 1648417128 GWMSCBDEYPQVQR-LFDOHDQPSA-N 440.566 1.315 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H]3CCC[C@@H]3C#N)CC2)c1 1654477390 DHAZRQZWDFWHKG-QUCCMNQESA-N 432.546 1.346 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C 1661545062 PQAPGZPYQKSUPA-HOCLYGCPSA-N 426.560 1.911 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c3ccccc23)CC1 1671154399 KPYAECCSLYZFQF-UHFFFAOYSA-N 437.543 1.012 30 10 IDEE C=CCc1cc(CNC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)cc(OC)c1OC 1677641830 UUBHCKJGKAZFME-UHFFFAOYSA-N 432.521 1.312 30 10 IDEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1682742904 QZUNKKMVCCDSGT-BQIYRTECSA-N 434.514 1.397 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CCO2)cc1 1684841835 SMHLWZHXOYJECV-YADHBBJMSA-N 427.549 1.438 30 10 IDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(SC)c(C#N)c2)C1 1687594617 DUACWCXACJOBBT-QGZVFWFLSA-N 440.591 1.862 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(OC)CCOC1 1689835624 PUVBUYHFXCFRID-IERDGZPVSA-N 447.561 1.459 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC(F)F 1689976366 HKPKZGXGSKUOFL-ZDUSSCGKSA-N 426.468 1.801 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2cnn(CCOC)c2)CC1 1690129510 ZLCOHRWRNWEPSU-UHFFFAOYSA-N 437.523 1.654 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1690175125 QGQNWSUVBATZCX-OAHLLOKOSA-N 433.559 1.210 30 10 IDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1)c1ccccc1 1690323986 FORNUYQJTNCWLN-IEBWSBKVSA-N 447.561 1.550 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CCN1CCOC 1694921868 CNOMYKLAMJQGHV-OAQYLSRUSA-N 439.564 1.890 30 10 IDEE CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1695163727 WJOCTLNFBXOZCW-OVGZCAFISA-N 444.536 1.704 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C[C@H]1O 1697068154 LSNVMGHZKAHHAQ-KVSKMBFKSA-N 442.520 1.039 30 10 IDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1697665631 HXYWUIJDAWXRBZ-INIZCTEOSA-N 434.447 1.725 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 1705532662 PWJNNPUSQPZNQU-SFHVURJKSA-N 435.525 1.800 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCn2c(O)nc3ccccc32)n1 1705632147 WIGMJGMCNHMHOY-UHFFFAOYSA-N 434.504 1.825 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCCO[C@@H](C)C2)CC1 1705639157 HPXWNIQIMAUTEI-SFTDATJTSA-N 430.597 1.776 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(C)COCCO2)CC1 1705647698 IJUHKSZBADSLFP-PGRDOPGGSA-N 431.537 1.291 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCC[C@@H]2C)CC1 1705648737 XKBNIMYPBKBHER-ICSRJNTNSA-N 428.581 1.970 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705791228 QMPSCZNRMIKDBX-RDJZCZTQSA-N 443.552 1.598 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705791463 WPTXLPGWDRGCPK-MRXNPFEDSA-N 438.598 1.692 30 10 IDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1705796359 DFHQGZVAAVEGLF-QRVBRYPASA-N 438.532 1.540 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705912935 YZYVBRYIEZSRJX-YTQUADARSA-N 427.505 1.692 30 10 IDEE CC[C@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708846233 XMMYPNWBILHJRP-DDPVOYOXSA-N 427.509 1.382 30 10 IDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1712167181 GIUKPDUNIWNNEZ-KRWDZBQOSA-N 438.467 1.388 30 10 IDEE N#Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)o1 1712880488 AMZOFDJHICCQBY-UHFFFAOYSA-N 431.449 1.744 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCOCC(F)F)cc1 1712880727 GGXIANYFQSMAQJ-RDJZCZTQSA-N 446.458 1.725 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722366306 QWGCCIKVTBPIGM-JKSUJKDBSA-N 425.555 1.517 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722439585 ICUOSDUOQMPAIW-UHFFFAOYSA-N 437.592 1.254 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1722447829 QVWRFUQPRPCDKJ-XMMPIXPASA-N 440.592 1.843 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722493373 HOFUNRALHMWLRN-JYJNAYRXSA-N 425.555 1.021 30 10 IDEE C[C@@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1726733472 BCRMTADYSSUUBV-QWFCFKBJSA-N 425.537 1.492 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)CC1 1728665055 NDCFAPPHSWWJTJ-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1729584007 HMUSRIDOHDVPJM-UHFFFAOYSA-N 432.550 1.353 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1Cl 1730957570 ZBZCCEWAHDTYOB-UXLLHSPISA-N 448.911 1.858 30 10 IDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740588328 PVVFHRGHIOXIFT-HXUWFJFHSA-N 443.573 1.989 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(c2ccncc2)CC1 1740609273 IMZOWXHDNQPANG-GOSISDBHSA-N 428.562 1.561 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1740625761 SMBJOPRWGJXARP-SFHVURJKSA-N 433.578 1.164 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740629265 HRAOHNRAPZFJSB-UHFFFAOYSA-N 442.527 1.833 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740662916 YUOYHNIGADKQQN-CABCVRRESA-N 442.586 1.509 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2OC)CC1 1740705960 OWODJPQIVUZYFM-HXUWFJFHSA-N 437.544 1.999 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1740801515 BGKZEWPPMSPTON-TZMCWYRMSA-N 427.962 1.888 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740874235 PXRAOTGIIZBTTB-CVEARBPZSA-N 434.541 1.925 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740885519 IUEFWLSCBNOLKE-INIZCTEOSA-N 427.571 1.235 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1740891049 PJMRFDSAAZIEBZ-CQSZACIVSA-N 442.586 1.910 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOC(C)(C)C1 1740953351 CNVFQBNYORVBQV-UHFFFAOYSA-N 445.520 1.888 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740960110 LIYHCXHRMVFQHQ-MDZRGWNJSA-N 443.504 1.333 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740961787 JDLUGRUVSUEAKX-UHFFFAOYSA-N 435.488 1.122 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)[C@H](C)C1 1741055169 FPHRBMXURACAMH-QGZVFWFLSA-N 426.521 1.948 30 10 IDEE CCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1745676270 IOBIBBQKLFDFCF-QFIPXVFZSA-N 442.568 1.969 30 10 IDEE CCCNC(=O)Cn1c(COCC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1745801042 BGMCIDYMDNZTFM-UHFFFAOYSA-N 442.524 1.404 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1748700050 VPULTBQRIJRNDL-OXJNMPFZSA-N 439.582 1.466 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748818087 VKKBBPYYRLDUET-QZTJIDSGSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748819983 WGDQSHPRKPXITB-ICSRJNTNSA-N 444.605 1.621 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(OC)ccc2OC)CC1 1748971123 DPNBDLJERSZCLF-UHFFFAOYSA-N 426.521 1.237 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749044219 PEQXLXTZUSRGAT-UHFFFAOYSA-N 447.609 1.397 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OCC=C)C1 1749667346 YNVXYNFYWXWRBZ-INIZCTEOSA-N 449.515 1.276 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1749669189 CWGLBAPDSWGYQA-ROUUACIJSA-N 440.552 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749734925 NZJJFBIWLVPPJT-MGPQQGTHSA-N 438.472 1.539 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)Cc1ccccc1 1750005287 ALEMRLJBOFUYOK-HKUYNNGSSA-N 442.520 1.389 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)no2)CC1 1750034274 OOYNKFNJVUFAKA-UHFFFAOYSA-N 448.531 1.962 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@H]1C 1760173452 VXSPVINCOWBDTH-SJLPKXTDSA-N 431.562 1.937 30 10 IDEE C#CCN(c1nnc(C)n1CC(F)(F)C1(OC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760180937 NFMWXURHBAPQCH-OAHLLOKOSA-N 432.493 1.044 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCOCC2)CC1 1760261016 IVDZBPXNOCBVBD-UHFFFAOYSA-N 440.596 1.006 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](SC)C(C)(C)C)CC1 1760268601 MHFGAZMBQSIAFD-SJORKVTESA-N 446.621 1.973 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1760296190 YZPQIYDEYXAFEO-PGRDOPGGSA-N 448.637 1.198 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760356248 IZGKFJVSDRLPQI-JTSKRJEESA-N 446.552 1.927 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760451017 YCQPYWSTKCTWON-HTAPYJJXSA-N 446.552 1.927 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1760478180 YOQFFDQCCMQQCV-SFHVURJKSA-N 426.521 1.909 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1760556849 RQKZMNZKNHFONP-INIZCTEOSA-N 433.534 1.254 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1760566638 ZEHKHJCBUFEIHH-GJZGRUSLSA-N 447.652 1.472 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1761362644 FUANAINUBDEZFT-ZIAGYGMSSA-N 426.543 1.443 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(C2OCCO2)c1 1761463715 LLXHLNYMPWJBLN-GJZGRUSLSA-N 448.549 1.720 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1763721587 BFOKBUZTGWCELX-UXHICEINSA-N 425.472 1.914 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN(C(C)C)C(C)C)CCO1 1767711946 CYNPJAVTWSSFSA-HXUWFJFHSA-N 439.564 1.887 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CCOC1 1768212803 CWYZWYSNGMVQNG-ZOCZFRKYSA-N 447.561 1.880 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1770728624 RTBQJSDVOWQAMS-IIDMSEBBSA-N 446.449 1.877 30 10 IDEE N#Cc1ccc(CC(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1852537287 HMWSGUOCXALXBO-UHFFFAOYSA-N 431.489 1.790 30 10 IDEE CO[C@@H](C)C(=NOCCCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C)cc1C 1853443512 OIRFIRFZRDLDQU-SFHVURJKSA-N 426.583 1.584 30 10 IDEE CO[C@H](C)C(=NOCC[C@H]1CCCCN1C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853518753 DUZFUYRBZZRQKS-GDBMZVCRSA-N 438.550 1.699 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C1=O 1854555340 RPGKNCRUEMPITG-DLBZAZTESA-N 436.534 1.246 30 10 IDEE Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)c1 1855717835 GFFVROROEUZNRI-MRXNPFEDSA-N 427.482 1.694 30 10 IDEE N#Cc1ccc(OCCN2CC[C@@H](N3CCN(C(=O)c4cscn4)C(=O)C3)C2)cc1 1856641966 AFWXCXXTFSQKBD-QGZVFWFLSA-N 425.514 1.452 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1870155347 IOFFAHWPGAXTTF-UHFFFAOYSA-N 447.367 1.290 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874338363 RJCFRFFWECRLDZ-GNZXAGPDSA-N 431.478 1.370 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c(OCC)c1 1874435479 JEGQTINLAMOADR-UFFVCSGVSA-N 435.506 1.946 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1984992185 HWPSLWJLAPTWGI-ARFHVFGLSA-N 425.526 1.780 30 10 IDEE C=C(Br)CN(C)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2010359052 BDVRHOMBTYEKIR-LBPRGKRZSA-N 425.345 1.778 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 2073746528 JUNNHGMXUMCKFN-DGCWBMGLSA-N 437.346 1.840 30 10 IDEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124531728 GCNFRNGOJMKBJQ-UHFFFAOYSA-N 444.301 1.531 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2224119670 GNYXOCZZCHCTEJ-NRFANRHFSA-N 433.314 1.625 30 10 IDEE CCc1nn(C)c(C(=O)NCC(=O)NCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255628654 KTHJTTQIKRDRLY-UHFFFAOYSA-N 426.326 1.328 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 2255876680 OWBMMBPHZLMQOC-CYBMUJFWSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256614735 PHQRVIRYGUMTKS-QGZVFWFLSA-N 434.342 1.530 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]21 2267097897 TZEGXNWPSOCFFF-HUUCEWRRSA-N 448.329 1.169 30 10 IDEE CCc1nn(C)c(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267144846 BRUUBWSDPCRANH-ZFWWWQNUSA-N 448.373 1.925 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2267498270 TVHIVOKXEHCILG-RCDICMHDSA-N 446.357 1.849 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)n1 2267503858 KGZOJGUMIXBZOG-IBGZPJMESA-N 441.259 1.972 30 10 IDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 2327840261 FMABEUJUZCFIMI-CQSZACIVSA-N 430.534 1.861 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 2337196456 LDYTUPWVSPTSJH-GOSISDBHSA-N 435.337 1.569 30 10 IDEE CN(C)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20915013 HUQBBBZJWMZELS-SRZZPIQSSA-N 426.506 1.940 30 10 IDEE COc1ccc(C)cc1N1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21 254410637 XBLGMKQQHJMQNP-HIFRSBDPSA-N 426.516 1.860 30 10 IDEE CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccc(CN4CCOCC4)cc3)NC[C@@H]2C1 305043423 WRLSFASWSYHOQK-HXUWFJFHSA-N 429.565 1.899 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCCC1 427299407 MPOWJCDXVHOWJW-UHFFFAOYSA-N 434.518 1.570 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCCOc1ccc(C#N)cc1OC 439923800 SEJRRUDXWQOXSZ-IPZZXCBHSA-N 430.457 1.677 30 10 IDEE COc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1OCC(=O)NC1CC1 443336109 PUCKPTKINQQOLJ-UHFFFAOYSA-N 428.489 1.737 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1-c1ccccc1C 477638950 WOPDZNDACDYMIA-UHFFFAOYSA-N 446.532 1.806 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCCCN2CCN(c3ncccn3)CC2)c(F)c1 481046583 HXDWAEJFTYESMH-UHFFFAOYSA-N 432.525 1.509 30 10 IDEE Cn1cc(-c2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)s2)cn1 481943271 LQIUSYFHHQTCPD-UHFFFAOYSA-N 442.526 1.562 30 10 IDEE CNS(=O)(=O)c1csc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 482523345 MWFBNLHXGTVQAN-AWEZNQCLSA-N 436.540 1.682 30 10 IDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508504900 AUWDVNRARFBWCA-FQEVSTJZSA-N 438.532 1.121 30 10 IDEE C[C@H](C#N)CN(C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C1CC1 513919302 XBSAKPQXISJOHO-UKRRQHHQSA-N 440.547 1.308 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@](C)(C#N)CSC 515403489 LEWXSPBMRAYVSB-LJQANCHMSA-N 440.591 1.396 30 10 IDEE C=CCNC(=O)CNC(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 538630296 HJQYWYHQIRVADW-UHFFFAOYSA-N 432.502 1.597 30 10 IDEE N#CC1(CS(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCCC1 546778217 VYHMVYBNMFXSHN-QGZVFWFLSA-N 434.566 1.285 30 10 IDEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 558145551 AHZDYJNJNIGPLU-ZIAGYGMSSA-N 442.549 1.862 30 10 IDEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)c1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 585831871 ZDPCUCUPLMMFTP-VOBQZIQPSA-N 430.464 1.520 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C[C@@H]1CCCO1 603990141 NCJHJWSTYMMPAC-INIZCTEOSA-N 427.482 1.725 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@H]1CCCO1 610928983 CYWVMJLJCNMTSX-CQSZACIVSA-N 449.985 1.929 30 10 IDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730142992 QYHQLLNQSOYMDC-KRWDZBQOSA-N 431.562 1.273 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 734294093 CDICVZFDBVJBDF-ASSNKEHSSA-N 446.529 1.808 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCN1C1CC1 737199337 UMECPVHJGYEMQU-SFHVURJKSA-N 436.472 1.739 30 10 IDEE Cc1csc(-c2ccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)n1 737305117 FDAUQPANKQIJLU-WUKNDPDISA-N 425.470 1.700 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)c[nH]1 753360782 WXFYDCLCEQERCR-HNNXBMFYSA-N 443.525 1.322 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C[C@@H]1CCCO1 772897425 HAKOGOQPOQBACA-SFHVURJKSA-N 446.532 1.442 30 10 IDEE C#CCN(C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 774253858 QIJVTOWTLBBTDU-LJQANCHMSA-N 438.981 1.294 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2[C@@H]3CCCO[C@@H]32)CC1 780123749 QZZUWPAFSOQUNE-VHSSKADRSA-N 426.429 1.423 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 789242769 UEXJSRLWRPEMLQ-HXUWFJFHSA-N 427.480 1.615 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1 801617193 JXQWBNCOVNAKLB-XTHYMMCNSA-N 436.534 1.911 30 10 IDEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807931326 PYSRRKAEQMJLLH-GOSISDBHSA-N 443.577 1.632 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 917626596 KKWNVAGUPXMSFR-QGZVFWFLSA-N 425.316 1.933 30 10 IDEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1131501193 BOXWRNSXAYVIRF-VGOFRKELSA-N 442.472 1.334 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 1136668955 KEQQIVYUTJYLLN-UHFFFAOYSA-N 441.594 1.262 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1148871235 JBSVPDSRSFNNPG-RHSMWYFYSA-N 446.978 1.293 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2ncnc3sc(C)c(C)c23)CC1 1175514960 LHVFRQBWULQSFN-UHFFFAOYSA-N 439.588 1.012 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)C1CCOCC1 1253347970 KGETYIGIYBBBRU-HNNXBMFYSA-N 445.463 1.548 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC 1286411054 YDYUQTMEABFUTO-HNNXBMFYSA-N 432.933 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CC1 1286425933 CUKYISPHGJMEGJ-HKBQPEDESA-N 434.525 1.968 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCN1CCCS1(=O)=O 1286433538 GXMKRCZSASNQCL-UHFFFAOYSA-N 441.557 1.664 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286505973 CWZKXWWDLVWDCW-IBGZPJMESA-N 446.621 1.283 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1286562780 SJNJQYMBVNTNDG-SJLPKXTDSA-N 434.566 1.346 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286670472 GSZGHVYWOKMUJD-SFHVURJKSA-N 443.596 1.576 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286693583 VGLAJWOPCIGORF-HNNXBMFYSA-N 433.538 1.410 30 10 IDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1286700861 OAKKIIXAOURVEK-UHFFFAOYSA-N 431.522 1.546 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286786840 JONVVAURNBHOHP-UHFFFAOYSA-N 448.531 1.333 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1286984002 ZJJKKVRVGAEFRV-WHSLLNHNSA-N 447.561 1.880 30 10 IDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1295811761 YYTKSMYGCUVRTK-FXAWDEMLSA-N 438.598 1.974 30 10 IDEE CCOC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1297364734 WMINMMGVKQNFTJ-HUUCEWRRSA-N 436.538 1.654 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300495035 BWCWYLFIBGFFPQ-VQTJNVASSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300505976 LGVPUGJOSITPHI-RBUKOAKNSA-N 446.577 1.660 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1300512947 OPEGJVVZMJXKNZ-NFBKMPQASA-N 429.565 1.360 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C(F)(F)C12CCC2 1300671148 CQQZMJVGITZKGD-GJZGRUSLSA-N 428.505 1.702 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1301596347 MEZUNFHHILUBNR-CRAIPNDOSA-N 430.596 1.473 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3c(Br)cccc23)CC1 1302923672 CSSIXJYBHGRINM-UHFFFAOYSA-N 436.331 1.828 30 10 IDEE COc1cc(OC)c(C[C@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(OC)c1 1312721119 MFFSLQYJEMRRED-LBPRGKRZSA-N 443.460 1.044 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 1313371219 MTELOPUUIFDUIC-QUCCMNQESA-N 432.546 1.779 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1358960301 BFYXDIVRIAVDKR-OAHLLOKOSA-N 441.517 1.269 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(OCCOC)CCOCC2)CC1 1359045410 GGDIGLKBMYJBOV-UHFFFAOYSA-N 433.553 1.019 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCO[C@H](C)C2)CC1 1359159417 VUNROLMGRSOLEA-QZTJIDSGSA-N 440.614 1.546 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(F)(F)F 1359240699 VQDHTWZSOUGINY-NSHDSACASA-N 429.490 1.486 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC)C1 1359321894 NHHCPXIILYFEGM-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)N2CCOCC2)C1 1359323775 WQFLSOKZWXMPCA-LJQANCHMSA-N 441.532 1.518 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359471447 SILBSDFGIGHOPL-SOLBZPMBSA-N 444.565 1.535 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1359473783 HWUBUXYIBYDDEF-HOTGVXAUSA-N 440.533 1.405 30 10 IDEE C[C@](O)(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1360723478 AJGHICYFDABPKG-TYCQWZJGSA-N 447.536 1.920 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](F)[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1435909822 BRNHTYJUGVCTKA-DOTOQJQBSA-N 434.516 1.844 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1438102218 ZGKKVTWZZSZJBK-FQEVSTJZSA-N 449.916 1.669 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(OC)c(C(=O)OC)c2)s1 1440910494 KWEOHYNZRQLKHX-UHFFFAOYSA-N 438.527 1.867 30 10 IDEE C=CCN(C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1442029824 BUQFAORUCRHINC-HNNXBMFYSA-N 426.539 1.613 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1452946902 IGFJQGPRGPWEKP-GOSISDBHSA-N 426.498 1.569 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCc1nnc2n1CCOC2 1467684832 JUTKBGRMQDNDMR-IBGZPJMESA-N 438.488 1.831 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 1470362203 NNBZZZKNKRYARM-UHFFFAOYSA-N 425.938 1.675 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1471420734 HVBLJLUPMPAONF-BDJLRTHQSA-N 443.451 1.995 30 10 IDEE CS(=O)(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1474350069 DVMFCVWAGYRVKQ-UHFFFAOYSA-N 425.557 1.530 30 10 IDEE CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1501881459 LNVWSNVNYKJPHS-HTXNQAPBSA-N 443.533 1.642 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1507535491 YYLYEUQJIJVWTJ-MWTRTKDXSA-N 436.516 1.938 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)OC)CC1 1507734984 GMPBDARFVBDIHP-INIZCTEOSA-N 439.516 1.717 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1C1CC1 1507764263 KWZUQRHHCSRKIL-PLMTUMEDSA-N 434.610 1.897 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(C)CCCC)CC1 1507884708 KYXMAPCGJIIHPW-SFHVURJKSA-N 440.614 1.499 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)COC)c2ccccc2c1=O 1515948965 BFCTYDAZPJQMJH-CVEARBPZSA-N 437.504 1.686 30 10 IDEE COCCCOc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1519087921 ALLJUQSUGGIWKM-FQEVSTJZSA-N 437.504 1.871 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cnn(C)c1 1539072706 UMZSINKLOKUTOS-SFHVURJKSA-N 449.581 1.175 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 1539125585 OLBJLJDKBSMUOM-WMZOPIPTSA-N 433.534 1.959 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1539343051 CLCIBOOENFKPAV-AWEZNQCLSA-N 431.522 1.103 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC(=O)N[C@H](C)CC)CC1 1539476478 XVZOJZKPVIJMJR-QGZVFWFLSA-N 439.564 1.554 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 1539721757 GETBBYMHAWZCKV-QGZVFWFLSA-N 427.509 1.039 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1539751027 FXRGTEWQEVAPBC-SJLPKXTDSA-N 434.566 1.848 30 10 IDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)Cc1ccc(C#N)nc1 1539786246 YTLNMSZHHYDCLA-UHFFFAOYSA-N 425.493 1.799 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540028467 NWNAPGBEJIYPQF-INIZCTEOSA-N 437.508 1.180 30 10 IDEE N#Cc1c(CCCNC(=O)C2CN(C3CCOCC3)C2)nn(-c2ccc(F)cc2)c1N 1540832227 JCWCZXPXEOPINN-UHFFFAOYSA-N 426.496 1.625 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1540869428 MPQFRDKBSFUKAR-OAHLLOKOSA-N 437.504 1.202 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1548267142 QPANXLQZDPKNEV-UHFFFAOYSA-N 434.504 1.978 30 10 IDEE COC(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)(OC)c1ccccn1 1558028479 IOPUGHQMRNDZAK-KRWDZBQOSA-N 437.456 1.420 30 10 IDEE Cn1c(SC[C@@H](O)COc2ccc(CC#N)cc2)nc2cc(S(N)(=O)=O)ccc21 1559330263 SNCHLVFJRCFVNY-AWEZNQCLSA-N 432.527 1.819 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC)C(=O)OC 1561828847 BDKBUIBOVOLEPN-HSBSLETESA-N 427.475 1.676 30 10 IDEE COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1568425390 NBOVODBAQXXAMW-MJGOQNOKSA-N 433.354 1.780 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCC3(C#N)CCCC3)CC2)cc1 1583462841 LOLOXCPURHRFKA-UHFFFAOYSA-N 446.573 1.808 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1586444441 ZHJBEYPIVIJIRY-SJORKVTESA-N 442.582 1.990 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1587870220 XBCWGCOPLUAZQP-SFHVURJKSA-N 426.546 1.943 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1587909531 MWXFGEMRSWCFRS-INIZCTEOSA-N 427.534 1.251 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C2COC2)nn1 1588604484 KCOWGZPRTXNJRM-UHFFFAOYSA-N 428.884 1.291 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1595570152 YWCXWHWHCOQWBE-MOPGFXCFSA-N 433.516 1.446 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F 1596092454 BTBNTKAYIWKWNS-GZBFAFLISA-N 436.463 1.791 30 10 IDEE CCC(O)(CC)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1613670197 BCUDNZVDUDGWJC-SFHVURJKSA-N 440.552 1.732 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613947057 QEPRRWYSABLTBQ-ADZRIMHTSA-N 428.415 1.523 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1614987659 FYIUJGGLJKNSJM-UHFFFAOYSA-N 425.537 1.785 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C#N)C2)C1=O 1618460189 ZCPJNIHBDPZJJL-DJJJIMSYSA-N 445.321 1.915 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2CCCO)c1 1619354080 CBGYBZUNQLDSEZ-UYAOXDASSA-N 426.521 1.529 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1619969087 MIJVAMBUHQQQMA-QFBILLFUSA-N 447.561 1.945 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1C[C@@H]1C 1620016322 CXGKZGGACSKYJF-CGTJXYLNSA-N 442.568 1.898 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 1621679492 YHZNTHDQFZXHHA-NSHDSACASA-N 438.474 1.560 30 10 IDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 1622130541 HQNLRZPEYHUXHA-UHFFFAOYSA-N 441.575 1.920 30 10 IDEE C#C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(Br)cc1 1622179982 FYFFYJZXHLVMLL-HNNXBMFYSA-N 429.317 1.749 30 10 IDEE C=CCC[C@@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1627752458 PJYPZPSZBPCHOP-LSDHHAIUSA-N 432.539 1.425 30 10 IDEE C#CCN(CC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)C(=O)OC(C)(C)C 1630687275 OBMGRXSXCHASQL-UHFFFAOYSA-N 429.517 1.873 30 10 IDEE N#Cc1ccc(C2=CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)cc1 1633236409 GEHLFDAOHLIDPJ-OAQYLSRUSA-N 434.471 1.916 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)s1 1633278467 JPWVVUUGMIXJJQ-NSHDSACASA-N 425.454 1.034 30 10 IDEE Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1633850236 BQMUPKLZKXPKFX-UHFFFAOYSA-N 431.449 1.657 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)nn2)C1 1635638675 YKUVIRGUAQKTKR-DLBZAZTESA-N 429.525 1.662 30 10 IDEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1639660805 ILKJDHHDLHBCEY-NSHDSACASA-N 442.419 1.815 30 10 IDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C2 1640059051 MWUYUJYKIUXHAZ-MJGOQNOKSA-N 431.901 1.878 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](CO)C1 1640800624 CIBIUPXOOHNMDH-DLBZAZTESA-N 432.496 1.964 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)C2=O)cc1 1644583622 QIPXJOXHHWGZSH-AUSIDOKSSA-N 436.468 1.526 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)cc1 1648915870 NWJCLRYIGNDZIU-UHFFFAOYSA-N 437.562 1.687 30 10 IDEE C=CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1654211657 UPHJFYWFHFAYPI-HNNXBMFYSA-N 445.969 1.822 30 10 IDEE C[C@@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCO1 1654932703 NEZRFQYLUJRTLZ-JOCHJYFZSA-N 442.541 1.287 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OCC 1670886537 OWULDWLLULDRGT-LLVKDONJSA-N 445.847 1.670 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CC1 1687502444 CKZWGWIPPADRRD-CYBMUJFWSA-N 434.440 1.441 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689881238 KNWJRGVLZJCFHK-SFHVURJKSA-N 440.533 1.348 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689986813 XOODBIMXIXCYRO-QZTJIDSGSA-N 432.594 1.876 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1689998067 ARHZICAXHGNXCB-VQIMIIECSA-N 448.520 1.952 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccn2)CC1 1690135153 PLBSWSGUZYPDEN-UHFFFAOYSA-N 435.532 1.118 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690278428 AKJPETAFSWIULI-WMZOPIPTSA-N 444.561 1.486 30 10 IDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690316662 IVQNYZLALKOLKQ-INIZCTEOSA-N 439.607 1.993 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)CC1 1690396471 CRAKHPGSMVQNSI-ASHKIFAZSA-N 431.628 1.838 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C 1690580547 AYZMUVNBJCBGNB-MOPGFXCFSA-N 441.580 1.001 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1690670821 JVPWYFDEMNNEKE-IBGZPJMESA-N 438.532 1.355 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Nc2cccnn2)CC1 1690670929 MCQHBRBZQBCEJA-MRXNPFEDSA-N 426.525 1.345 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1691530704 VETRVVQGLWWARY-GOSISDBHSA-N 438.536 1.495 30 10 IDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)Oc1cccc(F)c1 1694396986 HFBRJTUIYFHFHF-KBAYOESNSA-N 428.468 1.955 30 10 IDEE COC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1697758139 WNLILLDSZOLQGM-IRXDYDNUSA-N 431.928 1.831 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1705490138 CWHRNRHDQPWXBS-BXKMTCNYSA-N 449.559 1.760 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705515283 ZCKKWTOMWOTHHL-GDBMZVCRSA-N 429.477 1.170 30 10 IDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705540262 RZKKSCWALRISKK-CEWLAPEOSA-N 428.581 1.922 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1705561722 SSLNDSWOOPPSJX-SIKLNZKXSA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1705569194 DLSGFWSOICJDMG-LJQANCHMSA-N 439.545 1.155 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1705569967 IZABEVKMRIBJTE-PMACEKPBSA-N 444.532 1.980 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCN(C)C1 1705591713 IGIQWZJKEYBIIU-XMMPIXPASA-N 429.528 1.865 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1705599002 TXYMARUWGBUVKM-IBGZPJMESA-N 445.589 1.654 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC 1705607567 ISBWRHLJFGRBEJ-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728698 SKOJAAVOXPUTNJ-AVRDEDQJSA-N 433.553 1.722 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705739347 CXJMMBXRRPCEJH-HNNXBMFYSA-N 432.550 1.529 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCS2(=O)=O)CC1 1705776641 LHRFOJIPGYBFJH-FQEVSTJZSA-N 439.582 1.368 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)N(C)C1CC1 1708151348 DNUWTWOTNAFSCT-DLBZAZTESA-N 437.548 1.878 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2CCOC2)CC1 1711419399 FHGOZHFTJHFAAN-IBGZPJMESA-N 444.561 1.619 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1711968275 XNPJOGHZIHRNHZ-HOCLYGCPSA-N 425.493 1.462 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC[C@H]1C 1712073234 VGJFCHYZZYECFT-BEFAXECRSA-N 434.504 1.831 30 10 IDEE COCc1nocc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1712228212 WDYJBXXSYAPOJU-ACJLOTCBSA-N 437.526 1.201 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC=CCO1 1712537831 XBJZQGNQDNBFCX-CRAIPNDOSA-N 440.504 1.882 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)C1 1712875790 HUHXCDLYOJBQRF-LIRRHRJNSA-N 437.472 1.840 30 10 IDEE C#CCN(c1nnc(CC)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722364924 BRTURPOLBYTPEI-GOSISDBHSA-N 432.546 1.693 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CCC(C)C)CC1 1722437268 BSVPKARAJJDBNE-QHCPKHFHSA-N 442.564 1.948 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1722458212 FZMAOSDMBGKLKF-IRXDYDNUSA-N 446.621 1.974 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC[C@H]1CCCO1 1722467236 OZXUMLVULOURBN-MBOZVWFJSA-N 439.582 1.466 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc3n2CCCCC3)CC1 1722574303 JWQMXQCWZMIXSY-OAHLLOKOSA-N 448.597 1.657 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2C)C1 1722720899 OPLRHLNDXZGHQH-AWEZNQCLSA-N 428.522 1.228 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1726814610 OULGAPBVBUTVTD-PGRDOPGGSA-N 425.537 1.926 30 10 IDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1729022724 FSJNBNIXSKLRLV-IIBYNOLFSA-N 429.500 1.925 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(NC(C)=O)nc1 1730947338 UJBBNIFTMHIKIY-MDKPJZGXSA-N 443.483 1.846 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@]2(O)CCSC2)cc1 1731181464 BTSFUVDHWRXVED-OAQYLSRUSA-N 429.546 1.805 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1740617780 XGADKGMMPCFJNP-IBGZPJMESA-N 432.546 1.595 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740624390 GEBNWXFYRSLUAN-QGZVFWFLSA-N 432.546 1.275 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740671186 ATSZKMSRNZAIGN-GJZGRUSLSA-N 433.500 1.524 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCSCC2)CC1 1740697089 QXMURWFVMCOCRA-UHFFFAOYSA-N 440.617 1.682 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1740795809 FBDBPIIEGAWDFL-UHFFFAOYSA-N 443.552 1.612 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740882841 ZULRAOFPPCEVSH-OAQYLSRUSA-N 437.508 1.215 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1740957338 KKMTZZQQPHLMGS-IBGZPJMESA-N 432.532 1.748 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740989939 CHXRUSGRWNVMHE-INIZCTEOSA-N 430.534 1.060 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCC)CC1 1740993062 XVTDPTSPXMDYJL-QGZVFWFLSA-N 439.582 1.125 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1741672055 ZZQBQEPFSSMXQE-QGZVFWFLSA-N 441.536 1.478 30 10 IDEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1742627714 BJHCNCIYAMAARJ-LPHOPBHVSA-N 435.529 1.608 30 10 IDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1742636734 BAISXJMQPUKALZ-UHFFFAOYSA-N 434.504 1.493 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1748663862 ARIDOZCDOHZMOA-FOGNVHKLSA-N 426.546 1.901 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1748745278 NEWVEPDPVUYSKZ-UHFFFAOYSA-N 433.520 1.528 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1748929876 RKPUGUKTMUROFI-QGZVFWFLSA-N 447.536 1.517 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCc2ccccc21 1748970951 YCNYNRSZTPHPRZ-ZCVJKFOLSA-N 440.544 1.922 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)cc2OCCOC)CC1 1748990475 XOMGKFKJVOMKKZ-NRFANRHFSA-N 439.560 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(C)(C)O)CC1 1749020466 UKZYBJVJCZLPJH-ROUUACIJSA-N 433.553 1.129 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749119232 PCOFRRITHYKDRM-MHORFTMASA-N 442.582 1.607 30 10 IDEE C=C1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749297075 ZUKYGWCIPASFPB-UHFFFAOYSA-N 429.506 1.604 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1749467676 XKYWOTYXDHMJOS-UHFFFAOYSA-N 429.344 1.693 30 10 IDEE C#CCCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1760143722 PMHHHKRGKBZJFH-OFNKIYASSA-N 431.581 1.892 30 10 IDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1760173526 AHNDKTIGQCWCNK-FMQUCBEESA-N 426.427 1.743 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760273252 MSMSTPKXCJPEBL-OAQYLSRUSA-N 433.578 1.655 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1)C1CC1 1760477245 UVKQBWOBURZIBR-MRXNPFEDSA-N 438.579 1.579 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760552596 UNHHHMAUWLMLFI-JXFKEZNVSA-N 433.534 1.325 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1760931274 YSFYMKSVOPPPSY-KRWDZBQOSA-N 436.520 1.588 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@H]1COCCO1 1761037163 VNGCAQSMLLYSBZ-ROUUACIJSA-N 440.552 1.659 30 10 IDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1766566325 CIJHKFVZBNUUKB-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CC2)CC1 1848720171 UCNHMDVAUMHCFA-UHFFFAOYSA-N 436.509 1.105 30 10 IDEE C=CCOC(=O)[C@@H](NC(=O)CN1CCCC1=O)c1ccccc1I 1850983231 QUWCTWANGALGOE-INIZCTEOSA-N 442.253 1.800 30 10 IDEE N#Cc1ccc(N2C[C@@H](OC(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CO2)nc1 1851302677 FHIUCSNMCLIJRH-MRXNPFEDSA-N 434.456 1.395 30 10 IDEE N#Cc1cccc(C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)c1 1854449462 QINBBPRBXHQLKU-SFHVURJKSA-N 429.542 1.980 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2=O)c1 1854459837 MNGFAYWPLXKRPA-HNNXBMFYSA-N 442.825 1.854 30 10 IDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)CCCS(=O)(=O)Cc3ccccc3)C2)CC1 1855870909 YAUFIGDOFVGQAP-FQEVSTJZSA-N 431.558 1.992 30 10 IDEE Cn1cc(CCC(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)cn1 1856381281 WILZNQHCWFNDAA-KRWDZBQOSA-N 426.546 1.231 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 1858334803 IPXHSOAWPXSHTD-OAHLLOKOSA-N 425.919 1.953 30 10 IDEE CCC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868795679 MVBHKALCVOIGOT-ZWKOTPCHSA-N 433.578 1.643 30 10 IDEE C[C@H]1CCCN(c2nc(NC(=O)c3cccc(C#N)c3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 1869993054 BIDPAANYCNCUER-WMLDXEAASA-N 428.518 1.998 30 10 IDEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CSc2nnnn2C)cc1=O 1870299198 ZQGURBKVJFHYQK-UHFFFAOYSA-N 441.513 1.936 30 10 IDEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870562442 GQRHTOUGONGAJD-UHFFFAOYSA-N 439.512 1.645 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1984850616 LTYPAHCYVOWBDG-UONOGXRCSA-N 427.498 1.777 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2136345979 XOLUQANKRRPFCY-GVDBMIGSSA-N 448.325 1.265 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C 2243418829 LWPHMTWNAOJWFV-UHFFFAOYSA-N 440.309 1.804 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2255625634 UTWMKXZJGJDYAO-UHFFFAOYSA-N 434.346 1.799 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255701867 XTDNVQJGGMLLAJ-UHFFFAOYSA-N 431.302 1.736 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COCCN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255707860 BUBCBDJZOGKMDD-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE CN(C(=O)OC(C)(C)C)C(C)(C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255842691 WGEFHNIEVIQAHB-UHFFFAOYSA-N 437.350 1.490 30 10 IDEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CN(C(=O)OC(C)(C)C)C1 2255843953 OGSIXCMOBGLMAQ-ZDUSSCGKSA-N 434.346 1.705 30 10 IDEE CN1CCN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)[C@H](CNC(=O)C(F)(F)F)C1 2255852481 FFTXFGPZPZSDBM-HZSPNIEDSA-N 433.280 1.680 30 10 IDEE COCCN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2255862121 GKFQGFJSWZYKQF-UHFFFAOYSA-N 437.346 1.927 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256613907 KLRYFKRUQJRQQQ-PBHICJAKSA-N 434.342 1.876 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CC3)n1 2267181555 UDPUDUIQNPDFEO-HNNXBMFYSA-N 446.357 1.991 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267539361 ZXDXSHRGSVCBMH-KBMXLJTQSA-N 444.341 1.761 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267882094 NZOGJIKEXRSKNP-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE C#CCN(CC(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270529853 XYFGERVQBOPZQQ-AWEZNQCLSA-N 436.408 1.282 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2301662380 OHQNXANKJMBLKO-LBPRGKRZSA-N 441.359 1.712 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1C 2315589797 SGEWBNUNHMDXNO-UHFFFAOYSA-N 434.346 1.721 30 10 IDEE CN1C[C@H](C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)N(C(=O)OC(C)(C)C)CC1=O 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Cc1nn(C)c(C)c1[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 434010140 BNZQUJXLWUJAHI-ZBEGNZNMSA-N 443.451 1.995 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 447291637 YDFRBXTXRJMRKN-GOSISDBHSA-N 446.479 1.948 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)OC)C1=O 461293422 RKEKBVIKWQBGON-RDJZCZTQSA-N 427.457 1.131 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCCC[C@H]3C(N)=O)CC2)cc1 467701129 RFFPXHXFFDPOSF-MOPGFXCFSA-N 432.546 1.509 30 10 IDEE N#Cc1cc(N2CCO[C@]3(CCOC3)C2)cc(N2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] 469559285 WLWMHNJRBFWFHM-NHCUHLMSSA-N 430.461 1.458 30 10 IDEE COC(=O)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(OC)cc1OC 471533199 QNQOSYWGAAUKDJ-HXUWFJFHSA-N 446.481 1.521 30 10 IDEE COc1cc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1C#N 517444855 ACSUEDNVDRCJMV-UHFFFAOYSA-N 445.497 1.713 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 524138791 FNFCWULWTRZQNV-UHFFFAOYSA-N 440.592 1.576 30 10 IDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 533436810 MEFDJCSDRNZNPB-UHFFFAOYSA-N 425.551 1.435 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1=O 543047795 BZPYQGZCEAJTAQ-OAHLLOKOSA-N 441.435 1.780 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccccc2)C1 619819045 BSJCVEQHSYLXQA-QFBILLFUSA-N 434.497 1.101 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCO)n1 707388968 ODKNZPGKPBJCAJ-UHFFFAOYSA-N 427.482 1.490 30 10 IDEE C#CCN(C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC)[C@H]1CCS(=O)(=O)C1 729332815 YVNQBRVTJKXGNR-AWEZNQCLSA-N 446.529 1.293 30 10 IDEE COc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)c(OC)c1 734292421 NDLANVXYDAROPZ-OAHLLOKOSA-N 443.481 1.742 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 742659321 GUPSLJSMCZMGAR-ZIAGYGMSSA-N 436.534 1.629 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1C[C@H]1CCCO1 752192901 BNCJDXAIHGGYKZ-CQSZACIVSA-N 446.598 1.527 30 10 IDEE C[C@H](C(=O)OCC(=O)NCc1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 752615766 PULSXKYBIZHILQ-HNNXBMFYSA-N 429.498 1.772 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(CCOC)c1=O 753789660 UMGSLSAAICPHLW-UHFFFAOYSA-N 438.509 1.167 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757475495 GVOKSIQWZCNFMF-YCRPNKLZSA-N 436.464 1.869 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)C1=O 771581987 IDERLFZMAJJMCC-WAIKUNEKSA-N 440.500 1.928 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)n1 788695577 VNQYVRSDFPNURP-UHFFFAOYSA-N 431.493 1.987 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC 812160104 XZJYARJXOMOWMQ-GOSISDBHSA-N 435.550 1.450 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(c2ccccn2)CC1 917154286 GLFOYADHNBTMPR-UHFFFAOYSA-N 427.530 1.686 30 10 IDEE COc1cc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)ccc1C#N 1133631195 SZZYUYVGJLKDRF-INIZCTEOSA-N 437.518 1.721 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)C2)nc1 1178460814 SJSCDGGLQWCRAH-KRWDZBQOSA-N 425.514 1.806 30 10 IDEE CC[C@@](COC)(NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(=O)OC 1194913904 HGCINJDRKYZRFG-MWTRTKDXSA-N 446.548 1.914 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1286339122 IXGXQHXWNSVFNN-QGZVFWFLSA-N 428.518 1.338 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cccnc1OC 1286366029 QRPIRHYMOUUDGL-UHFFFAOYSA-N 440.529 1.717 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1286386758 HBIIJKZAOGIXDV-HZPDHXFCSA-N 436.509 1.372 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1286394976 QJCJPMCGCXWTSM-RBUKOAKNSA-N 444.557 1.856 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1286430592 OZMBOOMZOYIUNV-OAQYLSRUSA-N 434.544 1.681 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1286445892 PPJABFRGXWHPIR-KRWDZBQOSA-N 443.556 1.929 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1286448315 RWEFJLSQVSOKEK-GOSISDBHSA-N 435.525 1.566 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H](C)c2ccccc2)CC1 1286471348 JEJMKWUFJNOSJY-RBUKOAKNSA-N 444.605 1.837 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2Cc2ncn(C)n2)n1 1286472102 VCQBDNBUYILNDP-UHFFFAOYSA-N 425.541 1.526 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1286480276 UTKJGJXLCPOQAD-UXHICEINSA-N 427.597 1.495 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1286495999 KPBIJXUWTDFLAM-WMZOPIPTSA-N 449.602 1.833 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCn1cc([C@@H]2CCOC2)cn1 1288089415 SWVGAUDJOAMXHC-QGZVFWFLSA-N 440.552 1.947 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N3CCOCC3)s1)C2 1288144817 INYQQFZAYALOBF-KRWDZBQOSA-N 431.539 1.467 30 10 IDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)c2)CC1 1292020395 OXYNRECYCQWZTB-JXMROGBWSA-N 431.489 1.983 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1298537226 YEVUNQXPYGVVHK-LJQANCHMSA-N 447.561 1.883 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1300410494 NVIPUXRHFQRBMU-IBGZPJMESA-N 447.605 1.823 30 10 IDEE C#CCCCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1300425751 WUMLQRCHMANLRT-JOCHJYFZSA-N 425.537 1.769 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300487193 HUGSPMCLYUHFAP-MRXNPFEDSA-N 445.520 1.237 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1301100421 OVVTWLBXSKYNCQ-TZMCWYRMSA-N 441.460 1.157 30 10 IDEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301206984 MPJLWOYOOWTIOZ-MRXNPFEDSA-N 440.504 1.076 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301222680 COGDATOACBLFQE-HNNXBMFYSA-N 445.611 1.055 30 10 IDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1301333932 DEFOBSWRUNNQGK-RDJZCZTQSA-N 440.566 1.097 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1301592595 ALCVVAXUOIAMQF-UHFFFAOYSA-N 445.545 1.538 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1303643946 DTCGZZYIRKEJIA-RHSMWYFYSA-N 430.534 1.484 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)CCOC1 1303763986 QIHSFADKHWULMM-WOIUINJBSA-N 448.568 1.016 30 10 IDEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1307041683 CSEJFTLICCFJNV-XLIONFOSSA-N 438.573 1.744 30 10 IDEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1307062271 PZUGAOWSWSPGPU-VQTJNVASSA-N 438.532 1.805 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1313971699 UKWCNHPZPWVRJX-HXUWFJFHSA-N 431.472 1.610 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1315610580 ZXVVPFTWWBFNSE-RTBURBONSA-N 440.548 1.919 30 10 IDEE COCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316006969 XAQPCRULDIAOOT-SFHVURJKSA-N 438.536 1.639 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1316226159 CJIHXDDZLKVERP-AZUAARDMSA-N 427.505 1.974 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)O1 1351075613 HHPHNGKCBCMPEF-UVMAJNDESA-N 437.518 1.939 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1358976767 PVHYWHJWJXSHEP-LJQANCHMSA-N 443.555 1.997 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1359019122 KQENNURFZZGYGP-ZEQRLZLVSA-N 440.544 1.850 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCn3ccnc3C2)CC1 1359029768 HMEVMQTVWBMZPE-MOPGFXCFSA-N 427.553 1.216 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1359034911 GIBDUHZOYQSXDK-OAQYLSRUSA-N 436.560 1.666 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359301005 OUIBKWWDWWWAOC-SFHVURJKSA-N 428.512 1.546 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 1359305201 WAHBGOQRRNLVNP-UHFFFAOYSA-N 446.939 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2cncn2)CC1 1359332060 NUUUKIYCLUSTRZ-SFHVURJKSA-N 449.581 1.629 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359333466 YSMOYSCYAFVFFP-UHFFFAOYSA-N 431.562 1.333 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359336234 IWNMJQCVSXHMIV-GOSISDBHSA-N 434.610 1.592 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@](C)(O)C(C)C)CCOC1 1360348008 QZCVCKUNKSBNPZ-AJSBUHFISA-N 446.596 1.902 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2c(Br)cnn2C)ccc1F 1438358104 UGYZZFWBGRNVQJ-UHFFFAOYSA-N 431.287 1.716 30 10 IDEE N#Cc1cn(CCC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c(=O)nc1O 1444124488 AKHCLQTZVQPOQD-MRXNPFEDSA-N 435.406 1.620 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CC1 1455115322 OEHSGUAZZWZPEB-IAGOWNOFSA-N 444.582 1.958 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)CC(=O)OC(C)(C)C 1460356480 QFWYSWUGMXHKTB-QFIPXVFZSA-N 428.489 1.152 30 10 IDEE COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1C 1462206340 DHMNHWWDQBEAAS-UHFFFAOYSA-N 431.474 1.118 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)ccc1F 1462928581 ZRYNHUNBSCRVFL-UHFFFAOYSA-N 446.460 1.093 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCN3CCOCC3)[C@H]3CCSC3)cc2C1=O 1468561093 MBVQUFVVMFUXDY-KRWDZBQOSA-N 429.542 1.749 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCN(CC(F)(F)CO)CC2)nnc1-c1ccco1 1469595048 FWGCNKXQNSRPKN-UHFFFAOYSA-N 441.504 1.978 30 10 IDEE CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1473505583 DWZUCMQCWBVOIC-YADHBBJMSA-N 435.503 1.712 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)CC1 1476442902 YQNUNAFCYLOKGV-HNNXBMFYSA-N 434.440 1.093 30 10 IDEE Cc1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492821813 WOWOOLRUCMCYST-DVSFIDLUSA-N 430.509 1.135 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1501190436 BMASVYYAWFXKLH-UHFFFAOYSA-N 449.494 1.599 30 10 IDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1505036197 WRWNZGNNDQMDHR-PMACEKPBSA-N 443.504 1.386 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1507615831 BULZVZZAEZIMDV-KRWDZBQOSA-N 442.520 1.931 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCc2nc(C)cs2)CC1 1507723549 MGCIERLPVIVFDP-KRWDZBQOSA-N 427.578 1.772 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(N(C)C)CCC2)CC1 1507739904 LQTSXKLHWYIXJU-UHFFFAOYSA-N 435.576 1.714 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1508162127 PFOPKOFVMOHWCN-HOTGVXAUSA-N 445.611 1.145 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1508661700 IKJINZCZXLOHPA-GJZGRUSLSA-N 433.513 1.263 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C)C2)C1 1516399982 BVDKPMLPRIWANV-IDMYKUQPSA-N 427.505 1.884 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCSC)CCO1 1517548961 ZMFCNENBHZFLIM-KRWDZBQOSA-N 430.534 1.433 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3nccc(C(F)(F)F)n3)C2=O)cc1 1536322234 NNLVSXXERSEFJE-ZDUSSCGKSA-N 432.362 1.888 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC#N)c1ccccn1 1537821407 QLOVKNHUSADNCC-UHFFFAOYSA-N 443.529 1.587 30 10 IDEE C#CCO[C@H](C)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1538797912 DTJPPZKHUSTPLV-CYBMUJFWSA-N 432.336 1.869 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539212088 QZFQGUHFDBBNEL-FQEVSTJZSA-N 438.557 1.938 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1COCCO1 1539306386 HKGBWXHLYLSCSX-FQEVSTJZSA-N 432.488 1.189 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1539468735 HYWPXDDFESUDQW-UHFFFAOYSA-N 447.442 1.931 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1539538391 GWPCJDUPFLDQQO-MAODMQOUSA-N 431.562 1.788 30 10 IDEE C=CCCOCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1540042801 RNFVPPUXEDGHKR-DENIHFKCSA-N 435.569 1.432 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)CC(=O)Nc1ccccc1SC)c1cc[nH]n1 1540686946 SFKICKTXFLPYKI-UHFFFAOYSA-N 433.490 1.513 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(N)=O)CC1 1540900061 KBYFOGRXFILLIJ-UHFFFAOYSA-N 447.561 1.646 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C(=O)OC)C1 1540900167 MVNYXXLOOPDBDW-HNNXBMFYSA-N 448.501 1.274 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1541111176 GMEOIBCWGOKNQT-HNNXBMFYSA-N 442.545 1.962 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1541470026 ASTNDTJSKPIBFA-VGSWGCGISA-N 425.537 1.610 30 10 IDEE Cc1cccc(-c2nnc(N(CCC#N)CCC(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1542582263 GEPXJCXVKUUHCU-OAQYLSRUSA-N 446.577 1.964 30 10 IDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1545236897 IJWVSXIQELEVTD-FCHUYYIVSA-N 440.504 1.921 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1554164942 CHBDYWSTSMGQMA-MSOLQXFVSA-N 442.545 1.562 30 10 IDEE COC1(C)CN(c2nnc(Cc3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554704962 YMARICOCWKQELZ-VXPUYCOJSA-N 440.479 1.760 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CO)c1 1555557259 QGOLQIJAQFTGLJ-UHFFFAOYSA-N 438.488 1.913 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2C[C@H](F)C2)C1 1555813334 MVPJAAKPPZAMGV-YRBFXIGRSA-N 444.508 1.191 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCn2cc(Br)cn2)s1 1556904804 ZRFLUBZIIKIMAJ-UHFFFAOYSA-N 447.380 1.873 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OCC 1561876326 QTVFBHKPTXFDAE-QGZVFWFLSA-N 430.548 1.647 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1565156367 IEZPJYQLPUEDHC-MRXNPFEDSA-N 433.505 1.608 30 10 IDEE N#Cc1cccc(N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C2CCC2)c1 1587314071 HYPJYTORUYJGRX-UHFFFAOYSA-N 438.509 1.878 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1587798352 HZUOTZCSJADLGE-ACRUOGEOSA-N 431.581 1.964 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1588975204 FGQDLTSOEZZJCJ-MRXNPFEDSA-N 439.545 1.493 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnn(C)c1 1595489404 GCYYWHBSHOJJAL-UHFFFAOYSA-N 433.314 1.708 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1598136222 AOYCNKOUCFDACW-HXUWFJFHSA-N 446.515 1.957 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)CC1 1611771791 AQZBIXGJMRYJLO-UHFFFAOYSA-N 435.435 1.517 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1620077553 ULCKFOMTQQQXLJ-NQIIRXRSSA-N 440.548 1.637 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1O 1620300140 VWWGPJQXPAKSLJ-SUMDDJOVSA-N 429.546 1.849 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)c1 1624754328 XCKPYMGBDIFNEM-UHFFFAOYSA-N 434.539 1.333 30 10 IDEE COC(=O)C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCOCC1 1624905192 PFCDWGVPTHLCRO-UHFFFAOYSA-N 436.306 1.843 30 10 IDEE C=C(C)CN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1628372258 BQGSFMRWRUKKFG-UHFFFAOYSA-N 441.619 1.911 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)c1 1631442583 CMXHTYISVDFFLX-OAHLLOKOSA-N 443.547 1.213 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 1632066686 AFGFRVPYYQQYGL-IAGOWNOFSA-N 448.907 1.727 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)c1 1632108893 DBJJSVFSMJRVFE-UHFFFAOYSA-N 444.488 1.800 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1633445475 BURFEPHGKRJBCA-MSOLQXFVSA-N 430.505 1.679 30 10 IDEE C=CCOC[C@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1)C(=O)OC 1634058909 SGIDXCUJTJWMDL-HNNXBMFYSA-N 433.486 1.812 30 10 IDEE C#C[C@H](NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1)[C@@H]1CCCO1 1634470416 SPIZFVWWTSABJQ-KBPBESRZSA-N 425.436 1.920 30 10 IDEE CN(C)CC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1635353449 MEUIVAFNFQPHKE-SFHVURJKSA-N 429.546 1.710 30 10 IDEE 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445.531 1.706 30 10 IDEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1709509204 GQJSYTIZIOCVCV-HXUWFJFHSA-N 439.564 1.842 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1710896416 QVICRWJPBYGHPY-GOSISDBHSA-N 432.550 1.967 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1711355437 BNXGFDZCRXJJCY-MRXNPFEDSA-N 425.537 1.641 30 10 IDEE CO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1711559209 ABZCSXUVEKTTBF-IAGOWNOFSA-N 425.493 1.435 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712266440 LKGRBSZFNVNFJR-QQMHEVNUSA-N 437.504 1.648 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N1CCOCC1 1722300237 BRTLJRILBBAHOC-MSOLQXFVSA-N 442.589 1.993 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCC1 1722394070 MYHONLPUSJNOQO-UHFFFAOYSA-N 430.512 1.960 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2nccs2)CC1 1722566694 XAPCKLLUHUJCPL-OAHLLOKOSA-N 438.579 1.467 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722694097 LCKJPADRYBPCSC-QGZVFWFLSA-N 435.532 1.812 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722702617 NNYILZPQSYAFJU-GOSISDBHSA-N 442.520 1.732 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCOCC2)C1 1722709446 QNAWMDOWCMTZRY-SFHVURJKSA-N 432.569 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722729141 WYYDXHQXKOVHOE-MSOLQXFVSA-N 425.599 1.234 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC[C@@H]1COCCO1 1723626184 ACVHKNMTJHLOEJ-AQNXPRMDSA-N 438.532 1.965 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1727659037 QHVRSSDCXPTYAI-LJQANCHMSA-N 431.456 1.957 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730628667 GKGAKJSNQLDVIQ-HSZRJFAPSA-N 449.515 1.971 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nncn2C)CC1 1740697337 ASHLEIZUAUMQJF-UHFFFAOYSA-N 447.366 1.701 30 10 IDEE 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C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1740960532 UJXOVIAUHBKYJX-BRWVUGGUSA-N 448.568 1.824 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1741802050 FFNUGFKPDGTSBU-HUUCEWRRSA-N 447.517 1.726 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1748196196 BLJWWQSOQPIAKW-VQTJNVASSA-N 438.532 1.831 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1748638032 IEOSZYUSGVPTQE-BZSNNMDCSA-N 425.537 1.883 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1748672086 QFEYFXYVNOONFX-CVEARBPZSA-N 427.571 1.274 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1748847211 PIBNUKUFVKBFKO-ADXZGYQBSA-N 444.582 1.180 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC 1748891064 SHQVFYPLOYSARR-UHFFFAOYSA-N 430.530 1.860 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)C(C)(C)C)CC1 1749342597 JCDJBBFSKBTJRA-INIZCTEOSA-N 444.623 1.796 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)N2CCOCC2)C1 1749692904 CSNHWSMLLKRUCJ-RBUKOAKNSA-N 434.585 1.554 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1749756299 WHBSFFWAVOZHMH-CVEARBPZSA-N 445.611 1.003 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1750077316 UGGXIZHOSYXLMR-KURKYZTESA-N 438.598 1.013 30 10 IDEE Cc1cnc([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1751729643 BYQBGYHYWAEOGL-BNOWGMLFSA-N 439.567 1.186 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760184541 JKSIRROWQSHUJE-GJZGRUSLSA-N 439.488 1.335 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@H](C)C2)CC1 1760269109 YKOLOFPFSTWNFN-RYRKJORJSA-N 428.537 1.010 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1760269828 PVZFWQKRJHOUTD-FPOVZHCZSA-N 442.608 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(C)c2C)CC1 1760271319 UFWYUUHMIZZKBZ-UHFFFAOYSA-N 449.563 1.196 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1760355883 ZKSBGDDLXITAJY-UHFFFAOYSA-N 442.545 1.353 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1760383673 WHROEJMFNAKTMV-HRAATJIYSA-N 432.525 1.463 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760449359 HTGFZDAMJFLBHJ-QGZVFWFLSA-N 444.540 1.226 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760452268 JUXQGSPQTPRIAL-OAQYLSRUSA-N 431.562 1.872 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760527870 KUBCJOJARNLSBA-JKSUJKDBSA-N 447.879 1.927 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1760528683 JTKZDCUFTCFWTR-JOCHJYFZSA-N 443.552 1.350 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1760540582 LFEFLBIRIOSEKX-PKOBYXMFSA-N 426.521 1.616 30 10 IDEE CCC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1763854170 OLCSCOADXBBIAT-INIZCTEOSA-N 427.509 1.766 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1765497089 GUDQBUMAVGNESD-MSOLQXFVSA-N 438.580 1.543 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1766375576 GGILGNFWOFDVEN-IBGZPJMESA-N 434.504 1.606 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1 1766722573 DPZYKMZFCHUSCC-UHFFFAOYSA-N 444.561 1.905 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1766739757 MCTMKWNSBGXWLB-JPZYQRIQSA-N 442.589 1.886 30 10 IDEE CN(C)C(=O)CCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766858660 QQRSQWRBSSAVQW-UHFFFAOYSA-N 446.515 1.667 30 10 IDEE CN(Cc1ccoc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1767152119 RHYBEJYJMZVKDI-KRWDZBQOSA-N 446.489 1.353 30 10 IDEE CN(Cc1cscn1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1767160794 WRYSCPLFDBMFTN-UHFFFAOYSA-N 446.558 1.971 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1767576267 QJRKOMYJNDSFOA-SFHVURJKSA-N 439.564 1.747 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1767748874 CGFBAGZBTAPOCG-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCOCCCO)CC2)c1 1770741036 TWIOVYIAIDRSMH-IBGZPJMESA-N 441.536 1.512 30 10 IDEE COCCN1C[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)CC1=O 1771124349 HPFWAYFFDMJOOL-HZPDHXFCSA-N 440.508 1.159 30 10 IDEE COc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)ccc1Cl 1772888842 ACUZSKGXOLJRKU-HNNXBMFYSA-N 430.896 1.953 30 10 IDEE N#CCCN1CCN(CCCC(=O)Nc2ccc(I)cn2)CC1 1852650113 WWMUENXFYQEXMG-UHFFFAOYSA-N 427.290 1.936 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)CC2)n1 1852983056 CWFWLFOQTFTEEL-LJQANCHMSA-N 440.529 1.240 30 10 IDEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(Cc2nncn2C2CCCCC2)CC1 1853545421 OQDQWQNIOLLOEQ-UHFFFAOYSA-N 442.568 1.493 30 10 IDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1854090068 SUXUWTWEVANWGP-LJQANCHMSA-N 429.542 1.519 30 10 IDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1855312196 NVVRFMJORYMWPU-WBVHZDCISA-N 431.514 1.411 30 10 IDEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN(CCO)Cc1ccccc1 1870476267 JSSWDXIQQXYKSK-UHFFFAOYSA-N 430.501 1.597 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1892226665 JHHLDCUQVHEITB-KRWDZBQOSA-N 444.517 1.060 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060628548 YMCLBFYHVPWCDB-PBHICJAKSA-N 434.342 1.876 30 10 IDEE C#CCn1ncc(NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106078757 BEDGBRSHHKXJNX-UHFFFAOYSA-N 427.299 1.423 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2124539635 XSHQBKZSKUBWQM-MSOLQXFVSA-N 446.353 1.972 30 10 IDEE Cn1ncc(Br)c1S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2158583308 UKMIICPFSKGMNB-UHFFFAOYSA-N 444.120 1.073 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCCO 2186656621 FIXCNSXMJGKKQT-CQSZACIVSA-N 447.538 1.544 30 10 IDEE Cc1cc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247850919 BGCMCOXYJCAKDS-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H](CNC(=O)C(F)(F)F)C1 2254789506 CEVRBVAYOCVKGY-CQSZACIVSA-N 428.264 1.180 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255630238 HKZQXYJSRYVQSR-ZIAGYGMSSA-N 434.346 1.671 30 10 IDEE CC1(C)OB(c2cc(F)c(C(=O)N3CC(NC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2255880984 OIFFQEYIQJVTMS-UHFFFAOYSA-N 434.170 1.767 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](O)C1 2256668502 BFUQDSTUWCJJMX-QCKZDCLWSA-N 433.314 1.738 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2258973782 NTXHQQWXLJLVSU-UHFFFAOYSA-N 444.284 1.745 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267001590 MZFAVLUJCHKQRS-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE Cn1nc(C(=O)N[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267134449 PTHKFMIAINAICA-ZNMIVQPWSA-N 446.357 1.847 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 2267263124 AXLNMSCIQYMCLZ-KBPBESRZSA-N 449.361 1.538 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)n1 2267504589 VBIPILLSYZYHHI-CVEARBPZSA-N 447.341 1.711 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@H]2C1 2267536976 NSTXUDLBTXWCKB-FPTDNZKUSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267551154 JCAJWTVAFPSRGY-VNQPRFMTSA-N 444.341 1.904 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1 2267575886 KIGNRECVLNXIHN-ASSNKEHSSA-N 447.345 1.244 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 2267604755 PNANLDOUDNWFKD-UHFFFAOYSA-N 447.345 1.411 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268651587 PIAFJCCAPBGULZ-CYBMUJFWSA-N 446.313 1.055 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268664430 VHUIEGLPHRLOGT-ZBFHGGJFSA-N 447.341 1.937 30 10 IDEE COC(=O)c1ccc([C@H]2C(=C(O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc1 2296615734 MYYFUHLVUHFLJT-IBGZPJMESA-N 438.484 1.863 30 10 IDEE CON(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2315610437 DNWXEDDNEWRLIU-UHFFFAOYSA-N 438.334 1.638 30 10 IDEE Nn1c(N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1SCC(=O)NCc1ccco1 20527410 JFOLEJFZGSFZER-FBCYGCLPSA-N 432.422 1.053 30 10 IDEE Cc1ccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)o1 20835009 GYOXTZNNZDHVIF-VXLYETTFSA-N 449.518 1.920 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 24693546 PEASWXMARABQSE-UHFFFAOYSA-N 428.470 1.932 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cccc(C#N)c2)CC1 56936038 KGAMGESVQKPHHE-LJQANCHMSA-N 427.530 1.694 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@H]1CCCO1 447271393 OCAVNGIDIDRDFP-CQSZACIVSA-N 449.985 1.929 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)c(OC)c2)cc1 460595699 IHDMAOQFUVWABK-UHFFFAOYSA-N 431.470 1.338 30 10 IDEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 460810932 JRYJKIAGPSRSAE-VQTJNVASSA-N 427.549 1.920 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1 462410501 AVVMRHLBWZXPSZ-UHFFFAOYSA-N 437.543 1.946 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cs1 466106426 ITEUNUDSQWXYAP-UHFFFAOYSA-N 435.531 1.418 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@](C)(O)Cn3ccccc3=O)c(C#N)c2N)cc1 468275921 FQWQAPMJXGBKJC-QHCPKHFHSA-N 434.500 1.296 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccc(F)cc1 481978889 FSZRLOYJJNUUDV-UHFFFAOYSA-N 436.493 1.753 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)cc1C#N 489096475 DNFCGYFPPIRPMH-OAHLLOKOSA-N 431.493 1.734 30 10 IDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@]2(CCOC2)C1 508788926 FOEXYKSGOYVGSR-XMMPIXPASA-N 438.576 1.825 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 543203659 DCGMBUCOBUXSIQ-RBUKOAKNSA-N 446.467 1.470 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(F)c1 553575914 QOOVSKXRDHWLSK-ZDUSSCGKSA-N 427.454 1.578 30 10 IDEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 571301802 GUAXCTJEOJZUJE-QGZVFWFLSA-N 437.500 1.849 30 10 IDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 572803565 UEMXIQQPMKWCIN-UHFFFAOYSA-N 445.549 1.395 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c(F)c1 586858736 FPDFWQSJMKAMQN-FQEVSTJZSA-N 444.894 1.845 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1C[C@@H]1CCCO1 603797287 CNZGNMAOAGDXMR-INIZCTEOSA-N 441.578 1.616 30 10 IDEE Cc1ccccc1S(=O)(=O)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733853067 DGQUZHCDRFRFGZ-MRXNPFEDSA-N 426.454 1.577 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C[C@H]1CCCO1 736586832 IHMMYHFIBJFEQQ-CQSZACIVSA-N 432.571 1.191 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 746264347 FMHAZEUEUSJOHS-YWMAMYRUSA-N 436.390 1.843 30 10 IDEE Cc1nc(SCC(=O)OCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(C#N)c(C)c1C 748834500 KTSSMFBRNJUDJU-GOSISDBHSA-N 448.589 1.987 30 10 IDEE Cc1cc(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1 780208913 FSZBYSFMUWAKJU-FXAWDEMLSA-N 430.482 1.796 30 10 IDEE C#CCN(C(=O)Nc1cc(Br)cnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 782064117 BBHZPIBJJBUYAS-CYBMUJFWSA-N 438.307 1.684 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H]2CCCO2)CC1 812254601 KLGCCPREHLLNHB-GOSISDBHSA-N 437.500 1.819 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1 916777742 REFBGGIXMPBPLL-UHFFFAOYSA-N 441.509 1.822 30 10 IDEE C[C@@H]1CN(C(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)C[C@@H](C)O1 918022345 ABPQTJHMENNVOW-NXEZZACHSA-N 433.408 1.949 30 10 IDEE CC(=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1cccnc1 1084653919 SPLPESWXRSRRKR-UHFFFAOYSA-N 446.518 1.414 30 10 IDEE C[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1sc2c(c1C#N)CCC2 1115826105 HLKDSBGSBKLDQV-LLVKDONJSA-N 425.532 1.650 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 1125641972 UXTGUZQQXWMVCC-KRWDZBQOSA-N 444.507 1.926 30 10 IDEE CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1133254378 APIVGAHMJNQSCQ-GOSISDBHSA-N 442.497 1.976 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H](Oc1ccccc1C#N)C(C)C)CCS2(=O)=O 1134859599 URRFRGMNKPRVIQ-GYPPFNJCSA-N 448.541 1.977 30 10 IDEE C#CCN(CC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1147337413 LCGSHNPPDMIJGA-UHFFFAOYSA-N 449.573 1.967 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2sc(SCC(C)C)nc2C)CC1 1152974204 PMRKUBCWAPEYCK-UHFFFAOYSA-N 430.621 1.354 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)Nc1ccccc1C#N 1161585472 BRMFVPCWBZEMQL-QGZVFWFLSA-N 449.529 1.634 30 10 IDEE CC(C)(C)[C@H]1CNC(=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1176473886 BQKRJMWHIPIJEK-QGZVFWFLSA-N 440.504 1.301 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286356203 LKKSNGPZTWJKQV-INIZCTEOSA-N 427.509 1.898 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286363906 USFMYDNGWVUNGJ-QAPCUYQASA-N 431.459 1.263 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC(C)(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286379811 CIRJEKQLVWANHG-SFHVURJKSA-N 447.605 1.967 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286438098 AGBDJAWKLXUJMS-LJQANCHMSA-N 444.547 1.642 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CC(=O)N(CCOC)C1 1286448166 QOGCFKAZAWJWIH-FXAWDEMLSA-N 439.516 1.745 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1286467384 PCYWZVALNVAKPC-GOSISDBHSA-N 436.578 1.473 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286481419 VLAJMNMAYNKSGJ-QZTJIDSGSA-N 440.514 1.812 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)[C@@H](C)CC)CC1 1286493107 DTKWFDSEKUFWOM-HKUYNNGSSA-N 444.580 1.427 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C(C)C)C1 1286781640 WBRJKNOJBKWHSK-OAHLLOKOSA-N 429.550 1.805 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@]2(CCCOC2)O1 1291225531 SGYXONGJSJROGU-JPYJTQIMSA-N 441.532 1.990 30 10 IDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1297515290 BNNXREJEHFVJDZ-XUTLUUPISA-N 435.488 1.816 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCC2)C[C@H]1O 1299412617 AVBPWCZWMBKQSP-QZTJIDSGSA-N 425.489 1.482 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300268976 XRUAJHCYMKLRRU-RDJZCZTQSA-N 449.490 1.867 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCCOC 1300302565 BWOBTRZASZMMCV-QGZVFWFLSA-N 437.548 1.618 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1300494032 XUZKFBXYBLLPKE-INIZCTEOSA-N 435.575 1.824 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1300763039 MOPJCIDBVSYEKZ-INIZCTEOSA-N 425.624 1.513 30 10 IDEE C#CCSCCn1c(N2CCN(c3ccc(C(N)=O)cn3)CC2)nnc1C(C)(C)C 1300778014 JPCJEVNZZIOCDL-UHFFFAOYSA-N 427.578 1.763 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300990840 YZGDDRIVOYSHRF-KSFYIVLOSA-N 446.552 1.579 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301496629 DQFJYUAERNGELZ-VGSWGCGISA-N 426.521 1.725 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)C1 1301555798 DKUZXMKBWIMFJX-ROUUACIJSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1301586380 SBMMMMVDKQXELH-GOSISDBHSA-N 436.469 1.049 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(CC3CC3)n2CC(=O)NCC(F)(F)F)CC1 1303000855 UOKHTGBYKJFULW-UHFFFAOYSA-N 448.453 1.502 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1305233438 BPTRKQBTDMILAD-LPHOPBHVSA-N 444.561 1.161 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1314816665 MUPNAKGVRKOZFQ-VZCXRCSSSA-N 437.504 1.729 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1316285708 SCDVOOKDHPFIDK-RYLXDESZSA-N 434.516 1.703 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 1321470701 NTXWHAGAVYDYTE-MSUUIHNZSA-N 429.443 1.617 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cncc(Br)c3)CC2=O)cc1 1337967447 NSLAUJHAAMNWSM-GFCCVEGCSA-N 449.286 1.574 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358888518 NVRSOBLCCHLVLT-INDMIFKZSA-N 435.594 1.834 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCS(C)(=O)=O)c1 1358901267 FLYMVABHEXNASZ-UHFFFAOYSA-N 440.529 1.384 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCCCC1 1359023707 SXFKKIZLVJTDLV-UHFFFAOYSA-N 428.537 1.968 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)COCCO1 1359025457 PDSQPHDISDSOJK-DENIHFKCSA-N 428.489 1.682 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCc2nc(C)cs2)CC1 1359028108 HMQMPMGDQHJZSE-UHFFFAOYSA-N 429.594 1.959 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1359033568 HCJXWJKPDHJQST-FQEVSTJZSA-N 436.560 1.967 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(=O)NCC)c2)CC1 1359036738 HFNAZNYBPMYGTL-UHFFFAOYSA-N 443.555 1.817 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC(C)(C)O)CC1 1359046349 OBNCQWBBTZTYOD-UHFFFAOYSA-N 430.578 1.761 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359059281 HZZBNWDFQGKKBT-UHFFFAOYSA-N 441.605 1.277 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1359104815 GFRNGFHGXXULRP-QLDGJZPUSA-N 433.553 1.578 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359106065 XGFLSVFNHHOKAE-DENIHFKCSA-N 446.596 1.540 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359137170 HFPYVKPQBQUBQX-FGSXEWAUSA-N 449.552 1.846 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359291129 FPSLIUSRJBRJFR-ZCNNSNEGSA-N 440.548 1.537 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1359291308 LPAZCLVUFHLIQS-MRXNPFEDSA-N 439.520 1.116 30 10 IDEE CC(C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359685626 YZOLMPZNQYZUJA-CZIZESTLSA-N 445.568 1.475 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O)N1CCOCC1 1360542270 STZJOEKBHOTNCF-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)c2ccccc2F)cc1 1361116247 SYJYOQKKLCPOMC-UHFFFAOYSA-N 432.477 1.568 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)c1 1434896362 UOGCFDUPNGPAFB-PKTZIBPZSA-N 449.555 1.329 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1455909753 VYTJEHCOQNUNBO-UKRRQHHQSA-N 436.534 1.487 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCS1(=O)=O 1456190784 OYCXOCJLLCFVTN-QKHJZNESSA-N 425.551 1.855 30 10 IDEE C#C[C@H](CO)NS(=O)(=O)c1[nH]c(C(=O)C(Cl)(Cl)Cl)cc1Br 1463780444 FJYLKMWKFSWNJU-RXMQYKEDSA-N 438.514 1.603 30 10 IDEE COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466413695 PSEICVBPGDCROU-HXSAITOGSA-N 435.521 1.952 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1469544481 HKUYINWKKJWWAO-HXUWFJFHSA-N 440.525 1.776 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1471306496 XVDSZXUYXSIDEM-NRFANRHFSA-N 449.511 1.416 30 10 IDEE C[C@@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1473663787 SZXSWYAQSMZIGH-SFHVURJKSA-N 428.917 1.548 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H]1CCC[C@H]1C#N 1473707277 IRXMMDVCLMCQCM-FPOVZHCZSA-N 430.574 1.632 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 1475584471 AGUOOQJWDLOWLF-MRXNPFEDSA-N 441.550 1.451 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1504815034 KFVPWYKXRCKXPW-VQTJNVASSA-N 437.548 1.500 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1504888434 QWBGVVIMYGZOIC-DLBZAZTESA-N 447.565 1.006 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 1504888700 YZHXRWQWLPXYMT-MRXNPFEDSA-N 438.529 1.599 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC(=O)NCC(F)F)c1 1505317217 JUHXANBMNALQNB-ZBFHGGJFSA-N 443.458 1.160 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1507538050 KFYMKMCUGNJGEZ-OAGGEKHMSA-N 432.525 1.323 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1507628732 IBQOVNNQFKJINY-KRWDZBQOSA-N 441.513 1.925 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507633091 AUUVOZWJKOMAQI-LRXVAGHRSA-N 443.573 1.442 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(O)CCOCC2)CC1 1507897544 RQPCHOMJTMXIGV-HNNXBMFYSA-N 427.571 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)NCC)CC1 1508134281 RJXKJALUGQBQLN-UHFFFAOYSA-N 436.538 1.299 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCC1 1509184739 BAKZWSZXJRAYGK-UHFFFAOYSA-N 444.561 1.979 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1CC1 1510206062 BOPDVCUGGYNRIO-MRXNPFEDSA-N 443.577 1.887 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1512496383 DYINRPPYUUCMQS-HNNXBMFYSA-N 433.472 1.496 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1516194807 HLYQHHAWNVRRTI-RTBURBONSA-N 426.468 1.442 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1517877266 FLAUYLAEHIVFNE-NHCUHLMSSA-N 445.545 1.372 30 10 IDEE N#Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1523212172 PPYZJEMXGCOHDB-ZDUSSCGKSA-N 425.513 1.337 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1524922611 IXNBQWFAWGDLML-CYBMUJFWSA-N 432.889 1.679 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H]3C[C@@H](F)CN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1536179745 MKZLBIXOTWRXLA-XLSPSMHOSA-N 435.477 1.132 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)COc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1539205009 DXDHYUWLPYNZJM-SJLPKXTDSA-N 432.546 1.937 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)COCCO2)CC1 1539438178 QNDDPKJMDRMFRB-OAQYLSRUSA-N 426.477 1.414 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](COC)OC)CC1 1539441081 KFZKGFGZHNMQAE-SFHVURJKSA-N 427.505 1.133 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539506941 OIZCVLHUPRDPCU-GOSISDBHSA-N 449.540 1.656 30 10 IDEE CCOC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1547796153 UTOOJPJABXUOBW-VLGSPTGOSA-N 431.497 1.206 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1 1548328297 HXWRSMDKAVXSLB-LJQANCHMSA-N 435.529 1.377 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC)nc1OC 1555637135 PKICGZQJUAXHSJ-VLIAUNLRSA-N 434.472 1.905 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C)COC1 1555638843 KCYWAZBNHOUQLY-CQSZACIVSA-N 428.493 1.574 30 10 IDEE CS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1555818488 BFCVBLZGYNJYKT-UHFFFAOYSA-N 447.540 1.432 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1=O 1562412592 YUQKGLBNEKIVJY-CQSZACIVSA-N 430.914 1.773 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 1562550267 YJMGSOYXNONRBH-UHFFFAOYSA-N 430.534 1.415 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 1562740159 DMRRIGCSKKANFC-UHFFFAOYSA-N 441.517 1.487 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1OC 1584308812 XIXPZVISNORONY-HOTGVXAUSA-N 431.489 1.965 30 10 IDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1588008757 MQEIOQUFXVXJNF-IYOTWJRTSA-N 437.493 1.194 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)CN2CCCCC2)CC1 1588967985 DFHQQZZKVRWKLA-IBGZPJMESA-N 430.597 1.902 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1598071467 CRVTURRHGKUDGW-UHFFFAOYSA-N 441.509 1.678 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)COCCO2)C1 1611765913 WIPGLLRKENBZQV-LEWJYISDSA-N 425.493 1.861 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1612200778 OPRDIHOZLUCHIY-XUTLUUPISA-N 437.504 1.384 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613339167 VYILDUJYEJHZJM-NMQZXRHPSA-N 445.568 1.475 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1618867503 ZXSARKFCYREWII-UHFFFAOYSA-N 446.533 1.145 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1620099845 PWARTKIVUKDVIT-ZQIUZPCESA-N 427.502 1.021 30 10 IDEE COCCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1cccc(Br)c1C#N 1622293499 GQZJCVZLVVYVLG-GFCCVEGCSA-N 431.230 1.881 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 1626419190 DJMBOLOHRBTYSM-DOTOQJQBSA-N 434.518 1.304 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1629506212 HKCCXGBODDISEE-CVEARBPZSA-N 437.541 1.509 30 10 IDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)[C@H]1CCCO1 1633396698 CGNFJQPWRKHQLK-OWCLPIDISA-N 426.560 1.584 30 10 IDEE COC(=O)CC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OC 1635849694 FELJAGQVKQXXME-DMTCDCDWSA-N 437.493 1.384 30 10 IDEE O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)N[C@H]1CCCN(O)C1=O 1636546877 ZTKAIKIWXIBUIG-CVEARBPZSA-N 449.508 1.852 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1648308652 HXPZDOGDMGAERM-UZLBHIALSA-N 427.567 1.567 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CCc2cccc(C#N)c2)cc1 1648321483 RTZCSZOSYGQLGG-UHFFFAOYSA-N 429.498 1.714 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1Cc2ccccc2NC1=O 1648602824 FVXMTJLYJCHLIS-ZWKOTPCHSA-N 440.525 1.964 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCC(C)CC2)C1 1649116661 YRKIMBHQOMVDBM-UHFFFAOYSA-N 433.574 1.774 30 10 IDEE O=C(CN1CCN(S(=O)(=O)C2CC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1654264759 YORBUIFTRDDVOD-UHFFFAOYSA-N 429.464 1.283 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656343472 LEXJUBGWMQOFJD-XGHQBKJUSA-N 427.530 1.686 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCN(Cc3ccccc3)CCOCC2)CC1 1660343567 WXTKWTFSEVVTRB-XMMPIXPASA-N 441.620 1.903 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OC 1671556790 AYXDKZNQZRSXMC-KRWDZBQOSA-N 430.548 1.647 30 10 IDEE C#C[C@H](NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1)c1ccc(Br)cc1 1686921443 KRYOPGNKUOFBKN-KRWDZBQOSA-N 435.322 1.503 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC1CC1 1689833820 QUOYPUXDDHKCGT-CQSZACIVSA-N 427.505 1.955 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCN(C(C)C)CC1 1689840075 RXJWYROPRSINTM-GOSISDBHSA-N 449.563 1.614 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689996792 OHNMFEBHBVRZFP-MRXNPFEDSA-N 433.559 1.137 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1690095508 SFFXGIMDWVNRII-UHFFFAOYSA-N 449.515 1.280 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1690480732 OQXYEYYYIULCPL-FQEVSTJZSA-N 434.548 1.993 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1690597201 MJUDRHWNMDMZHF-INIZCTEOSA-N 434.541 1.901 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCOC1 1690658958 FMWKXVSQFKZPGX-MRXNPFEDSA-N 446.939 1.636 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690667771 HQBPHZJZGYWTMO-UHFFFAOYSA-N 437.508 1.046 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC(C)(C)C2)C1 1690688715 ZOTZECZYFWTPEY-WMZHIEFXSA-N 449.596 1.822 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1Cc1ccc(C#N)o1 1692508036 WFMCIVIXMVLZMJ-INIZCTEOSA-N 449.519 1.824 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1692661145 CLYPWCLMNPSTOK-SJORKVTESA-N 436.582 1.711 30 10 IDEE CN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1696695259 AZCCOBOQHFVMFO-VZCXRCSSSA-N 430.472 1.898 30 10 IDEE Cn1nncc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(C#N)C1 1696886306 FBXIUYVNPCSIQG-HXUWFJFHSA-N 440.533 1.655 30 10 IDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)c(OC)c1 1697354309 CNVZYNLPLCTCED-UHFFFAOYSA-N 448.549 1.642 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1705525804 VQGFDMXRVLUNGD-OAHLLOKOSA-N 445.593 1.778 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1705564454 OMAKTQRVOVCVAL-QGZVFWFLSA-N 449.552 1.289 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)CC=C)CC1 1705641066 OWRPHRHLMMGOBU-UHFFFAOYSA-N 427.574 1.533 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1705673611 GHFQMHNLBUSYEV-NHCUHLMSSA-N 430.530 1.495 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(C(C)=O)CC2)CC1 1705781578 CSDUZKXLUFOYPE-IBGZPJMESA-N 435.594 1.841 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCNC(=O)CC1 1705930384 LZJJVVXVSHVYNR-SFHVURJKSA-N 431.562 1.747 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cnc2c(Cl)cnn2c1 1706625526 NYMNSHYMGLKUPF-AWEZNQCLSA-N 443.899 1.084 30 10 IDEE CCOCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1710627335 FRZNEGTUIIDHMB-JKSUJKDBSA-N 442.586 1.270 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1722363262 ZRVPWDCRWOPYPL-LVCYWYKZSA-N 446.577 1.653 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(Cc1ccnn1C)C1CC1 1722725084 FAADCUAVHNWWSH-UHFFFAOYSA-N 429.550 1.787 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722729255 HAVGFAKMWROOCW-LAUBAEHRSA-N 447.561 1.249 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCOC)CCOC1 1728814114 CSZYOWNRTCGBFC-JOCHJYFZSA-N 426.521 1.775 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCn2cnnn2)c1 1731180009 DCUSHASGWXVBQW-HNNXBMFYSA-N 433.398 1.661 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCCC(=O)NC2CC2)CCO1 1731186732 GIAAZBOWXCOINI-INIZCTEOSA-N 428.468 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)N(C)C)c1 1740550247 IGJJCDPQIAZBTJ-QFBILLFUSA-N 443.573 1.583 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1740618929 LOCCVKNDELEIPS-IEBWSBKVSA-N 448.545 1.242 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740622878 KFGNSQZLSARWMK-LAUBAEHRSA-N 447.561 1.063 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)CC1 1740695975 IIOYIAVXBCEHSJ-LJQANCHMSA-N 443.573 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC=CO2)CC1 1740708559 UCPGJDKIRPWWCE-GOSISDBHSA-N 426.521 1.059 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOC(C)(C)C1 1740720195 RVKITMSSTYGUFK-UHFFFAOYSA-N 434.610 1.314 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccccc1)N(C)C 1740899434 MKGYJQGAMCQRHK-RBUKOAKNSA-N 448.593 1.536 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1740955554 XQEHCNNWHHXYGN-UHFFFAOYSA-N 438.532 1.847 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C#N 1741131099 DEAVTCNCTCCMEQ-CRAIPNDOSA-N 448.549 1.714 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1741306552 VAUFPRFXFIZBHF-VGSWGCGISA-N 438.536 1.229 30 10 IDEE CC(C)NC(=O)c1nnc(N2Cc3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741651257 JXHHWOIARRPNSU-CZIZESTLSA-N 435.488 1.463 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1741922197 OMQHYMQCFIZLLA-XOBRGWDASA-N 449.581 1.029 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC(=O)N(C)C 1743231397 CEHJLPKBQMOAOP-OAHLLOKOSA-N 425.541 1.332 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1747862538 DFGNRLNAZZKJDF-KRWDZBQOSA-N 430.534 1.325 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2F)CC1 1748731458 DDUAJRNWIDTLGZ-MRXNPFEDSA-N 434.541 1.767 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1748860045 SAUQTRAFROLHPQ-UHFFFAOYSA-N 441.557 1.582 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N2CCOCC2)c1 1748905967 NAOFHOMCKGNHSP-KRWDZBQOSA-N 446.577 1.233 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2ccnn2)CC1 1749043592 JLTOFZRXCIWJEC-UHFFFAOYSA-N 428.566 1.275 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749335922 VCJWTCBKMNOIFD-OAQYLSRUSA-N 427.530 1.769 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749634860 LMKZVTVKVNBLNT-MRXNPFEDSA-N 429.550 1.468 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749745301 YMLJQCSOXJVANY-XHSDSOJGSA-N 429.612 1.813 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC2CCCCC2)CCOC1 1751025858 JLWRLFAEGRVCBU-GCJKJVERSA-N 446.552 1.496 30 10 IDEE C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1752384741 QKJAHXFBMVYIMD-BFQBXFRASA-N 436.516 1.815 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCCN(C)C)c1 1760175500 KWYZOLDPYSBPQT-GOSISDBHSA-N 431.562 1.238 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1760187230 CEGFFMALMSVIEH-MRXNPFEDSA-N 444.586 1.918 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760205681 HKMLKZINGNFEPM-QRVBRYPASA-N 431.562 1.059 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cc(C)cn2)CC1 1760255181 VOSPRVNZWMYSLM-UHFFFAOYSA-N 443.353 1.996 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1760272648 QTKXANWGXIMQNX-UHFFFAOYSA-N 446.577 1.784 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760285369 DHWBOWOTGXWERE-NVXWUHKLSA-N 448.520 1.723 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760456160 IHGGVWDCFNUIKX-CABCVRRESA-N 449.585 1.011 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760527568 ATUZPMOBMKMJTO-CVEARBPZSA-N 431.424 1.413 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC)C(=O)C1 1760532691 BRMCJIYLZYWNQC-GOSISDBHSA-N 438.532 1.901 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)C 1766089465 BWSAXJKIJCQAGD-KRWDZBQOSA-N 442.520 1.899 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1766861243 DUCLPSLXQITUQY-GOSISDBHSA-N 435.532 1.790 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1769721397 DNTIWORXGJCUJO-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)CC1 1770753287 FRSVMOYJPSCJKG-UHFFFAOYSA-N 429.912 1.982 30 10 IDEE COc1ccc(-c2cc(=O)n(CC(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)cn2)cc1 1852486996 KCTPVBNSQVJJPK-GOSISDBHSA-N 433.424 1.549 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@@H](C)NC3CCN(c4nccn(C)c4=O)CC3)C2)CC1 1853447163 XKRDGQLRAXAPGA-QZTJIDSGSA-N 449.621 1.488 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)[C@@H]1C 1854259168 WIBQGQGTMFMCKD-WMLDXEAASA-N 425.938 1.738 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1854444108 RGXJVSLMWUXNNT-QZTJIDSGSA-N 438.594 1.866 30 10 IDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)cc1 1854654973 DUFQLYCXXDEDSN-MRXNPFEDSA-N 427.482 1.694 30 10 IDEE CCN1CCN(C(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1872637085 OPJJUNRTQPUYPO-UHFFFAOYSA-N 444.517 1.216 30 10 IDEE Cc1ccc2c(c1)nc(C1=C(N)N(CCc3ccc(S(N)(=O)=O)cc3)CC1=O)n2C 1872730837 RBFJMUGBIQSDCL-UHFFFAOYSA-N 425.514 1.284 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)CC1 1889565121 KKZSEWMEJNJAAL-UHFFFAOYSA-N 437.610 1.275 30 10 IDEE COCCCn1c(C(=O)NCCN2CCC(C#N)CC2)cc2c(=O)n3ccccc3nc21 1890354484 SIGWIMDPOKDQOD-UHFFFAOYSA-N 436.516 1.651 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCOCC3)c(OC(F)(F)F)c2)OC1(C)C 2060015223 QHWHCSAHGVFTRK-UHFFFAOYSA-N 437.245 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2232271403 RJNBIBUGTAQHEM-UHFFFAOYSA-N 446.357 1.872 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2255629541 XFXDBHBNRZDMQX-VNHYZAJKSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255646548 WBYYHWYOTCECCA-HNNXBMFYSA-N 432.330 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 2255701277 OWPFZVXEUXVBCA-JOCHJYFZSA-N 425.342 1.509 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 2255818467 LNIJNKOGSRQCCE-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)CNC(=O)OC(C)(C)C 2255841008 VODXGZPWPWBZBK-UHFFFAOYSA-N 437.350 1.490 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2COCCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267013858 QCBKPICAURNEJE-SFHVURJKSA-N 440.353 1.350 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NCC[C@H]2CN(Cc3ccccc3)CCO2)OC1(C)C 2267098772 CXEQAGJPIPWIMF-SFHVURJKSA-N 440.353 1.730 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267160452 PUMMIUYNPZEGRW-PHZGNYQRSA-N 444.341 1.619 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 2267219430 DGVVLYPOEAUVMQ-CQSZACIVSA-N 449.361 1.634 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2CNC(=O)OC(C)(C)C)n1 2267496055 UGSBNPYFBSVGIX-DZKIICNBSA-N 446.357 1.705 30 10 IDEE Cc1nn(C)c(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267513733 XOHHBXZUCCOJRF-RCDICMHDSA-N 446.357 1.767 30 10 IDEE CCc1nnc(SCCCO)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2321034503 IGCRBPSONUPAOQ-UHFFFAOYSA-N 449.577 1.917 30 10 IDEE CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)cn1 59311895 BIZJVLDFPCSKDW-ZVBGSRNCSA-N 444.521 1.893 30 10 IDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 445717641 GYKNEXJADQHPAZ-UHFFFAOYSA-N 443.529 1.570 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)CC2)c1C#N 472075144 OWAQSMBRXFANMF-HNNXBMFYSA-N 428.928 1.759 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)C1=O 474876948 IWJUKYFJPFSILQ-CQSZACIVSA-N 425.363 1.582 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 477796067 WRQKRWLJDLJCOZ-GOSISDBHSA-N 435.546 1.395 30 10 IDEE CN1CCN(C(=O)c2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cc2)CC1 481061276 QCVWQILDMBUIID-UHFFFAOYSA-N 430.505 1.705 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 500884750 GBSUTCZGVSXQNU-ADKAHSJRSA-N 435.550 1.757 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(c3cccnn3)CC1)CCCC2 507274359 OHKATFVHJUPZPU-SFHVURJKSA-N 449.559 1.968 30 10 IDEE CN(C)CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 512594218 VXJDTBLOUJHEEW-UHFFFAOYSA-N 443.529 1.040 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1 515878435 BYPRZPRNDBZKSC-UHFFFAOYSA-N 443.573 1.553 30 10 IDEE Cc1csc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(=O)n12 539548948 YAKBOMKBVBCPSM-UHFFFAOYSA-N 443.510 1.083 30 10 IDEE CCN1CCN(c2ccc(CNC(=O)C3CCN(c4oc(C)nc4C#N)CC3)cn2)CC1 549239681 FAIBYIQSBCBAOO-UHFFFAOYSA-N 437.548 1.924 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2CCOC2)CC1 549672733 QJTYRWUBYNCPAN-HXUWFJFHSA-N 438.576 1.968 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncsc3Br)CC2)cc1 557490205 PIZCOUPWFAVUCZ-UHFFFAOYSA-N 441.332 1.924 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1F 729671304 FUPMTSUXVQXGMS-UHFFFAOYSA-N 447.495 1.715 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730144104 XLOXGEGJLNHFLT-IBGZPJMESA-N 447.605 1.829 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C[C@@H]2CCCO2)C1=O 730144713 RFOFBJHYRQCTQQ-JLELSEFFSA-N 433.578 1.171 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 731862588 HXUPAWOMCVLTPM-LSDHQDQOSA-N 439.493 1.917 30 10 IDEE CC(=O)N1CCN(c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2[N+](=O)[O-])CC1 732652014 MQYKOOFGPUJBLA-SFHVURJKSA-N 426.477 1.076 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(-c4cccnc4)n[nH]3)nc2)CC1 743428112 KYYLHFMSZWQICD-UHFFFAOYSA-N 426.506 1.249 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cc(-c3cccnc3)n[nH]2)CC1 743440576 SFSIHLOZVXPGNR-UHFFFAOYSA-N 426.506 1.249 30 10 IDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 757371338 BDTVOISMZNLBFW-SBJJXXPASA-N 427.486 1.434 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(Cc3ccccc3)c2=O)cn1 772281409 XPVIOOYNBAVNAN-UHFFFAOYSA-N 445.548 1.817 30 10 IDEE COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781652833 BBQHTMSKIPIGQS-UHFFFAOYSA-N 429.542 1.695 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC[C@H](OC)C(F)(F)F)C1=O 786690201 TZYZSQCFXXCCMG-OLZOCXBDSA-N 446.451 1.821 30 10 IDEE COC(=O)NCCc1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)s1 788093622 CCELSWJZZLRSDG-UHFFFAOYSA-N 446.514 1.630 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@H]3CCCO3)c2=O)cn1 794579453 KLWXSOKSCWBMNV-MRXNPFEDSA-N 428.558 1.814 30 10 IDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1Cl 807922230 NQQNHYJOUSBHLV-UHFFFAOYSA-N 426.926 1.615 30 10 IDEE CS(=O)(=O)c1ccccc1COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 810940880 LFXOPUZJHPJALY-KRWDZBQOSA-N 441.465 1.910 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 812177342 DCEIFQIQGMGZDH-CVEARBPZSA-N 447.540 1.376 30 10 IDEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812310441 XLJLLPQBETZFGM-NSHGMRRFSA-N 442.541 1.760 30 10 IDEE N#Cc1ncccc1COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 813166879 NFDNSNNEJJATIK-UHFFFAOYSA-N 443.481 1.869 30 10 IDEE C[C@H](OC(=O)c1cscc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 814611841 DGWRSWCUKKDFQF-ZDUSSCGKSA-N 449.510 1.825 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 816696929 MJWDGKIIGLAIRV-CQSZACIVSA-N 427.841 2.000 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1 1171716939 FZIPGJZFKIKIQA-QGZVFWFLSA-N 430.505 1.791 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)N[C@H]4CCC[C@@H](O)C4)C3)CC2=O)cc1 1177265285 INRHGGQNVJXVJP-WERVVEIQSA-N 438.528 1.569 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC2(O)CCC2)c1 1286310751 YWVVJNHKGRUIIL-SFHVURJKSA-N 436.516 1.591 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286346332 RNJLVUYHYUDHEY-KRWDZBQOSA-N 445.545 1.648 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286400646 DDCMOHNWEZEHCL-GOSISDBHSA-N 442.501 1.350 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1286401028 MYQMNZRTERTZSJ-JOCHJYFZSA-N 441.557 1.883 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NC)c2)CC1 1286663932 ROVNLAPSZYRNRW-IBGZPJMESA-N 443.573 1.991 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286786392 DIJNGXRDRHNAEZ-INIZCTEOSA-N 427.509 1.059 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286793693 JTKAVKIUAUUCDJ-JOCHJYFZSA-N 434.585 1.399 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1300363020 BSVBVYKQDHBSSV-DLBZAZTESA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1300479338 LXYBOHYXSLVYGV-KRWDZBQOSA-N 447.586 1.559 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300486829 CAQVQUJWDPQEJZ-HXUWFJFHSA-N 442.589 1.843 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1300556083 BPOCNKLDZNVPHR-INIZCTEOSA-N 430.534 1.193 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1300556410 HNMFVHUPQHVDRI-KRWDZBQOSA-N 447.536 1.912 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1300671083 BODJAYMOMHWKGF-IBGZPJMESA-N 432.546 1.461 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1300696252 WHNJQVFCPBJHLS-MRXNPFEDSA-N 428.541 1.347 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@](C)(C#N)C3)CC2)cc1 1301266450 WDGCWHUUXXUGPK-OAQYLSRUSA-N 432.546 1.370 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301482883 FFESQWFEBTZQMZ-RISCZKNCSA-N 448.325 1.053 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCOC(C)(C)[C@@H]1C 1301567622 KNWKOUKJJOOWEX-HNNXBMFYSA-N 425.555 1.119 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CCS(=O)(=O)CC1 1302685474 FTYFUBZNQNOEMK-UHFFFAOYSA-N 443.577 1.820 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCc3csc(C)n3)c2)CC1 1302921589 LIRKVAGKNGPBKL-UHFFFAOYSA-N 434.543 1.256 30 10 IDEE C=C(CCN(C)C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1304363529 DTGVSIIZAGOPTR-HNNXBMFYSA-N 427.286 1.799 30 10 IDEE CCCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1306658340 PKKSIGJYJWYAMV-MSOLQXFVSA-N 426.525 1.701 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 1310863739 PSZVUHKZPOKEGR-GFCCVEGCSA-N 431.312 1.380 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1314965601 VQWMPYZWBOPZMO-VQIMIIECSA-N 442.520 1.353 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 1315742972 CMIVNNACONECIK-UHFFFAOYSA-N 436.472 1.762 30 10 IDEE N#Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCS(=O)(=O)CC2)o1 1316533841 GDOJJLOGFRPPTB-UHFFFAOYSA-N 431.449 1.744 30 10 IDEE CON=Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1317702705 SLLQLLBCGWLKPB-UHFFFAOYSA-N 432.458 1.722 30 10 IDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)O1 1354819673 YDKODKPFMSAZGM-WLCURSBZSA-N 437.518 1.939 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358996163 UOWRFVBMACJOOO-LJQANCHMSA-N 426.546 1.151 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1359001889 GQDKHJDYAJZQCB-AVRDEDQJSA-N 428.537 1.790 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sc(C)nc1C 1359010754 YMLJWTHSSBEGGW-HNNXBMFYSA-N 438.579 1.192 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1359048186 IDYNMVFMLVBMSM-UHFFFAOYSA-N 448.622 1.523 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCOCCS(C)(=O)=O 1359072156 RCRIMRVWJDPYTF-JOCHJYFZSA-N 446.573 1.931 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1359227883 OLRFOKSKOGEJCR-HNNXBMFYSA-N 427.571 1.124 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1448197819 SCXYSKXPQGCWDX-AEFFLSMTSA-N 436.383 1.742 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](O)c2cc(OC)ccc2OC)cc1 1455537870 SMNVEMVCMJARJY-XOBRGWDASA-N 432.498 1.467 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1)c1cc[nH]n1 1465328282 FMCBCOZVCLZHFK-QGZVFWFLSA-N 442.520 1.020 30 10 IDEE CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)CCn1cc(C#N)c(O)nc1=O 1465723668 GJUJCAQHQKGLBX-ZDUSSCGKSA-N 440.378 1.128 30 10 IDEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNS(=O)(=O)CC 1499218820 FYFZDVMNVAXQKV-GOSISDBHSA-N 432.550 1.619 30 10 IDEE CCO[C@]1(c2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(C#N)o2)CCOC1 1502654916 JHOXFKLUAXKOCO-OAQYLSRUSA-N 430.509 1.212 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCC[C@@H]1C 1503108374 FOVWINDGJPDVLZ-HOIFWPIMSA-N 440.552 1.742 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCC(=O)N3)n1CCOCC(F)F)C2 1505316832 HDMXTIIWIFTHCL-CQSZACIVSA-N 433.419 1.046 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1505322469 OMQUSEGGRQFHKY-HOCLYGCPSA-N 439.442 1.655 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507623971 ZWARNIZZFILYIS-LPHOPBHVSA-N 435.594 1.677 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCN(CC)C2)CC1 1507719036 KJHVOBBPEXMKOR-NZQKXSOJSA-N 430.597 1.416 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2COCCO2)CC1 1507728324 QISQXIDKQBJDAJ-QFIPXVFZSA-N 439.560 1.633 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C(=O)NC 1507751235 LRZZHZQANOSNMN-CRAIPNDOSA-N 429.546 1.975 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507961160 ZHSAIDUTXGZVKU-FQEVSTJZSA-N 439.564 1.676 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507971645 PGZYMZWMHWINFW-SJORKVTESA-N 436.582 1.341 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 1508167143 HZSQFYUFVQQOGU-LJQANCHMSA-N 434.591 1.891 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@@H](C)C2)CCOC1 1512237514 GOVPVOZHHDIIOW-KNKQGSTJSA-N 432.569 1.779 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCCS(C)(=O)=O)CCOC1 1516160941 IHVSSBOLSHURQK-FQEVSTJZSA-N 439.582 1.885 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1533746074 IZOONPZFWDWXKE-GOSISDBHSA-N 438.546 1.898 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCN(CC)C1 1539155551 XJFDXNJURGURGN-QGZVFWFLSA-N 429.594 1.958 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1539155566 XPEPKBHTLCZZLI-XMMPIXPASA-N 439.560 1.880 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 1539194234 TZPGAMNQXVVKGI-UHFFFAOYSA-N 429.594 1.365 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539202736 KNBIYLLIJGFRLO-ZWKOTPCHSA-N 437.610 1.529 30 10 IDEE C#CCN(CC)c1nnc(CSc2ccccc2OC)n1CC(=O)N1CCOCC1 1539382707 OQXKDWTZYNUCQH-UHFFFAOYSA-N 429.546 1.897 30 10 IDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539490914 JQEISPYMCSRIOD-GOSISDBHSA-N 434.610 1.139 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)C3(C#N)CCSCC3)cc2)CC1 1546289619 OLHGEKIODBEYAM-UHFFFAOYSA-N 444.601 1.925 30 10 IDEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C1 1555601185 KMSBSABWDVCWTK-LPHOPBHVSA-N 440.548 1.955 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)C1 1556619789 UFYMBVZFSMJCBY-IAGOWNOFSA-N 438.347 1.935 30 10 IDEE Cc1nc(=NC(=O)c2cnc(I)c(O)c2)n(-c2ccc(C#N)cc2)[nH]1 1558937541 MSIPOASPCNUFAX-UHFFFAOYSA-N 446.208 1.827 30 10 IDEE CC(=O)N1C[C@H]2CN(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)C[C@H]2C1 1562230092 KJEFXTBQPOLWTM-NTCCNNMASA-N 433.534 1.441 30 10 IDEE C[C@H](CC(=O)NCc1ccc(-c2nnco2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1568613825 DSRPGTFBJVPOEA-CYBMUJFWSA-N 425.470 1.870 30 10 IDEE O=C(CSc1ccccc1C(=O)N[C@H]1CCN(O)C1=O)Nc1ccc2c(c1)OCO2 1569560956 NOVSYOGCLKLIRN-AWEZNQCLSA-N 429.454 1.866 30 10 IDEE COCCOc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1584686270 QNPXEABJZWTDJX-UHFFFAOYSA-N 445.501 1.413 30 10 IDEE N#C[C@@]12CN(C(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)C[C@H]1CS(=O)(=O)C2 1585132802 VIMWHUHIXLZICD-YJBOKZPZSA-N 442.463 1.714 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)Cc1ccccc1 1587561742 HYQDASMZWUPZNY-BZSNNMDCSA-N 432.594 1.867 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2COCCO2)c1 1587696813 BFWVSAMKNZIMAH-RBUKOAKNSA-N 425.489 1.601 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](C)C1 1587754363 BIOIIWJCFRCQFK-QGZVFWFLSA-N 428.537 1.966 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1587765737 JIHGVRICYNJECG-GOSISDBHSA-N 435.594 1.726 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCN1CC 1588612253 CLUFPHHCHDHSDR-OAQYLSRUSA-N 449.563 1.881 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCNC(=O)C(C)C)CC1 1588806404 PHCKUPNUNAVXKY-UHFFFAOYSA-N 448.531 1.121 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3nsnc3c2)CC1 1588967975 CVRGULZCXLAIAJ-UHFFFAOYSA-N 439.545 1.833 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C 1589216577 RUTPBOASKPEPTE-MBOZVWFJSA-N 439.582 1.274 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(N)=O)CC1 1589482190 HGFWLFPPTZAUCI-AEFFLSMTSA-N 432.569 1.879 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccccn3)CC2)s1 1597731647 BKIGEVSVSMBAIF-UHFFFAOYSA-N 434.543 1.135 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1613588483 KNZHCICGSGDFBZ-AVRDEDQJSA-N 445.568 1.179 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1616196925 VMROOBXKZWDCMF-IKYFQTQHSA-N 444.536 1.691 30 10 IDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1617442748 IKEDDDIZYASBLY-ROTAYESASA-N 442.545 1.356 30 10 IDEE C[C@H]1[C@@H](C)N(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS1(=O)=O 1618071735 RRGLNNYUNRATBN-NEPJUHHUSA-N 426.336 1.791 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1619495845 FKZATAZYWCQYEL-MOPGFXCFSA-N 444.561 1.856 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(F)(F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1619990187 PFSWLYLYMVWUBW-WKSPDDFDSA-N 440.451 1.374 30 10 IDEE CN1CCN(C(C)(C)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1627124349 QQFCMENTVHUBSB-FRIYVGAWSA-N 433.597 1.915 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 1629485832 QOPCYXYDRSBCNW-GOEBONIOSA-N 431.436 1.891 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCN(C(=O)CC#N)CC1)Cc1ccccc1 1630034126 GZYWFJBGYAAYAO-UHFFFAOYSA-N 443.548 1.598 30 10 IDEE C#CCN(CC(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1642260844 HKWDZQRPXKQGCO-INIZCTEOSA-N 425.526 1.999 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1643854117 AJNPXWDMKJHBJV-UHFFFAOYSA-N 438.687 1.279 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 1644284661 BEHWDJJTXGYIPA-UHFFFAOYSA-N 442.360 1.889 30 10 IDEE Cc1ccc(C(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1S(=O)(=O)NCC#N 1645261266 GOQZCVSLEMYPMB-UHFFFAOYSA-N 432.546 1.876 30 10 IDEE N#Cc1ccc([C@@H](C(N)=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1655255365 BWICKKHBXJKKNZ-HNNXBMFYSA-N 448.268 1.301 30 10 IDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F)[C@@H]1CCS(=O)(=O)C1 1672004763 UENCMUFWYKFOEO-CQSZACIVSA-N 431.511 1.632 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689842025 SBGXXMYURMYCPN-BTYIYWSLSA-N 448.545 1.360 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCC(OC)CC2)CC1 1690108986 BUTNAKGVNUHRKN-UHFFFAOYSA-N 445.612 1.061 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1690124025 CXJMNNROSFDKHT-LJQANCHMSA-N 443.573 1.183 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccn1 1690236723 QHESIHNEQRZITJ-NUJGCVRESA-N 434.566 1.901 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690470772 KXNIIBRJXVRJSU-LSDHHAIUSA-N 433.600 1.258 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1690596946 FICBJHRHSUNFCI-DLBZAZTESA-N 441.623 1.933 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1690604073 OCTBPGWADUFAQK-GOSISDBHSA-N 441.561 1.592 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCN(Cc2ccccc2)C1 1690668177 WDQWBSKGPDFAHB-HXUWFJFHSA-N 448.575 1.939 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1690669503 HLVNWAPAMLBTEI-DLBZAZTESA-N 428.468 1.248 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1693847346 FXEHHRDRYHBAKD-DSGGYQJVSA-N 433.472 1.568 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CC#N 1695910917 FVRWPDAZEHEGRN-OAHLLOKOSA-N 436.524 1.821 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1696656528 KMPCZKSAWJXDTJ-UHFFFAOYSA-N 432.550 1.602 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697695314 DNXMAUGGJWFJFB-IEBWSBKVSA-N 442.568 1.693 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1698193398 ZKCRSGCBOVREPM-IBGZPJMESA-N 426.521 1.927 30 10 IDEE C#CCN(c1nnc(C)n1CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705561788 UDPQIPSRKUTBBS-MRXNPFEDSA-N 425.555 1.518 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(=O)NCC)cc1 1705572753 MZERITPADCOGJG-UHFFFAOYSA-N 441.495 1.796 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)N1CCOCC1 1705588037 TWBXFXFDLFZUOE-JOCHJYFZSA-N 448.571 1.953 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1705626643 DLDUVYPKPJTWFF-OAQYLSRUSA-N 446.577 1.485 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCCCS(C)(=O)=O)CC1 1705638397 JOHKNDNYSGMALI-UHFFFAOYSA-N 430.578 1.619 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](COC)OC)CC1 1705649042 IEJHBIJYOWOFSC-SFHVURJKSA-N 441.532 1.581 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCC2=O)CC1 1705667899 YHIGWXTXCIDVII-PXNSSMCTSA-N 447.605 1.960 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)COC)CC1 1705782429 WYNZFHNPWSUNSP-DOTOQJQBSA-N 427.571 1.296 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1705894451 ZPMNOBJSZFFRTH-YJBOKZPZSA-N 430.509 1.883 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1706054235 QBMWZIFUFYYXRF-LJQANCHMSA-N 438.463 1.862 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1706073863 RPUWIXLZEWNABQ-PEBXRYMYSA-N 434.504 1.266 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1706426021 FCCONHUDFJYFFM-QGZVFWFLSA-N 432.550 1.504 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1706746572 CBSSCKUGGCFMSQ-OWCLPIDISA-N 442.611 1.635 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO 1706753588 GQVCTYRRSAANGD-VQIMIIECSA-N 425.537 1.364 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1710838860 OEYCEVZUKPTVPB-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1711317642 DGVKICBNNJWGSX-RTWAWAEBSA-N 426.546 1.647 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1712875768 HIQBXQMFLJTRIN-QGZVFWFLSA-N 439.538 1.312 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1722395126 RDKJTOJQJFTNAB-VWLOTQADSA-N 449.555 1.995 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722405792 QLRCOXWQIBSAGZ-INIZCTEOSA-N 442.339 1.045 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1722406182 WAEHUEHXWHZJDT-ZZEZOPTASA-N 435.444 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)O)CC1 1722450069 WCQQASDNRWNOTO-UHFFFAOYSA-N 439.560 1.809 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@H]1C 1722494624 QVYARMBPHBSSKD-GJYPPUQNSA-N 432.569 1.845 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(C)O)CC1 1722581215 IEKZSBOTJYBATP-INIZCTEOSA-N 427.571 1.174 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](C(N)=O)C1 1722698277 XYUFVOJKTDNADS-INIZCTEOSA-N 435.488 1.604 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)noc2C)C1 1722719275 SEVIFNUQLVSCTO-HZPDHXFCSA-N 435.550 1.869 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC(C)(C)C2)C1 1722724809 GNIKNVJXRWMAJE-UFYCRDLUSA-N 449.596 1.894 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722726022 XCIDWZFCJJKJGU-KRWDZBQOSA-N 432.550 1.246 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722738265 DSCYNTXTEFSFQZ-SXLOBPIMSA-N 448.637 1.690 30 10 IDEE CC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722856981 VCSTUOIJPKPJGQ-FQEVSTJZSA-N 425.512 1.711 30 10 IDEE COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1730586486 UPSKMDVYPWWSEY-YOEHRIQHSA-N 437.460 1.678 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(C)S(=O)(=O)CC 1740547952 CEFPLUFFJMXIOF-QFBILLFUSA-N 447.561 1.920 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740573024 GQJYWWFXQLWYTP-HSZRJFAPSA-N 435.532 1.882 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CCN1CCN(C(C)=O)CC1 1740678683 PRSLSQBZRBZCBF-UHFFFAOYSA-N 442.539 1.758 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cnnn2C)CC1 1740700514 VDDUTYBBINBIOZ-UHFFFAOYSA-N 436.520 1.188 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1740701247 ZMRAIEBENRQYOA-QCFAMHMHSA-N 431.581 1.961 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(C)nn2C)CC1 1740705642 KGXOYWOIEIKSDC-IBGZPJMESA-N 425.537 1.576 30 10 IDEE C#CCSCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1740709617 PQYLFSLHPRVMAW-UHFFFAOYSA-N 446.964 1.506 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1740782489 RJLQNMWMSPWYDH-GJZGRUSLSA-N 436.538 1.841 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740960012 IXSKMNXONRMFQN-SJORKVTESA-N 429.525 1.625 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(Cn2ccnn2)CC1 1740962645 KIXRRLVICXJPHL-UHFFFAOYSA-N 434.548 1.874 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1C(C)(C)C 1740966484 YXISWEHYDWCGPW-UHFFFAOYSA-N 431.585 1.012 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCNC(=O)CC1 1740994844 VEDQHCGPOWNBAN-UHFFFAOYSA-N 447.561 1.401 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccsc1 1741941995 ZGPVHTKVBROSDZ-RHSMWYFYSA-N 449.606 1.369 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1746972749 FUUSKJDTTNTORC-XOMICKMZSA-N 439.520 1.815 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCN(CC)S(C)(=O)=O)c1 1748692280 UQXVNZKDOJRLFO-UHFFFAOYSA-N 432.550 1.314 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1748920843 SMBSKMFVEZGGLH-UHFFFAOYSA-N 431.547 1.543 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(N)=O)nc2)CC1 1749011034 YMQLIUAKSVQZGC-UHFFFAOYSA-N 435.532 1.444 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749702553 ODQVHHDTXGKIGP-PMACEKPBSA-N 431.585 1.665 30 10 IDEE CC(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750792874 BGWBDTDLWKYNCM-ZDUSSCGKSA-N 433.538 1.469 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1760209612 FQLHKBPSRXWJRU-INIZCTEOSA-N 445.545 1.417 30 10 IDEE C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760379715 DPTHBXBXNWKJBF-HUUCEWRRSA-N 436.896 1.978 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)c(OC)c1 1760464767 OLQCPLDSSSKYFX-GOSISDBHSA-N 435.550 1.599 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C)C1 1760531855 CCCVQKHIIIWIPD-JKSUJKDBSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760556552 HXWLSPJYSCGCRT-LJQANCHMSA-N 441.561 1.041 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1761211627 WIPCYTFHZAUSML-UHFFFAOYSA-N 439.520 1.768 30 10 IDEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1769715038 ZWHXJFRZSCRIMS-QAPCUYQASA-N 448.549 1.374 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCOCC1 1770221362 ZDZLOWOBIFQEFL-UHOSZYNNSA-N 435.525 1.317 30 10 IDEE COc1cccc2c1SC[C@@H](C(=O)N1CCN([C@@H]3CCN(CCC#N)C3)CC1=O)C2 1855028967 JNLHBHFYGRPOOZ-ZWKOTPCHSA-N 428.558 1.618 30 10 IDEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862607236 JOCKKYMGXPQXCK-IBGZPJMESA-N 427.409 1.830 30 10 IDEE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)cc2C1=O 1866618714 NMJPMGNIIGMSTE-FQEVSTJZSA-N 448.479 1.930 30 10 IDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110629 ALTOVWGEPIOSTF-UHFFFAOYSA-N 431.368 1.341 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(NC(C)=O)cc2)cc2c(N(CCO)CCO)ncnc21 1873645864 BIYMOEBKOMCYII-UHFFFAOYSA-N 438.488 1.619 30 10 IDEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)ccc1F 1874432382 BYEVPZFBHFAOQL-PTXOJBNSSA-N 429.275 1.275 30 10 IDEE O=C(NCC#CCN1CCOCC1)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 1890427730 BGFFKRPKJHUMHS-UHFFFAOYSA-N 445.516 1.370 30 10 IDEE C=CCCS(=O)(=O)Nc1cc(C)c(S(N)(=O)=O)cc1I 2240655051 YBJWSHAYHRIAHK-UHFFFAOYSA-N 430.289 1.565 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CCN)Cc2ccccc2)OC1(C)C 2243439345 RJZVCKIJMAEOAB-UHFFFAOYSA-N 437.396 1.733 30 10 IDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2248404914 PWXVHVDYHYJRTK-AWEZNQCLSA-N 440.371 1.891 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248420007 LTDPRNMZXBYCDB-RYUDHWBXSA-N 438.359 1.843 30 10 IDEE Cc1c(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255540314 LNRGYVSEQHBYRL-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255623678 QHJWMFKVBMJUGK-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCN1Cc1ccccc1 2255875973 HUXIHXLGUNJTQG-QGZVFWFLSA-N 425.342 1.509 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2257488815 YEOXPARMPMIARY-OAHLLOKOSA-N 433.314 1.970 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267133492 CNMHCDDEZFFPPB-MDZLAQPJSA-N 444.263 1.627 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)n1 2267541517 FDDVYFJKRYOPEE-BFHYXJOUSA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268702724 XRCQNCVMMTXCQU-ZDUSSCGKSA-N 448.329 1.478 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268725166 SECCMTDUJGIAMS-QGZVFWFLSA-N 448.369 1.920 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 2296623788 KVPVXWZOOIFLJI-GOSISDBHSA-N 430.530 1.852 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC2(O)CC(NC(=O)OC(C)(C)C)C2)[nH]1 2315390031 JRZMSPXGXOGRCW-UHFFFAOYSA-N 433.358 1.941 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCN1C(=O)OC(C)(C)C 2315533420 YBQZEAGLQNJJGJ-KBPBESRZSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2315563363 FRFMLUIEKYGGMD-UHFFFAOYSA-N 436.318 1.075 30 10 IDEE CCOc1cc(C=NNC(=S)NCCN2CCOCC2)cc([N+](=O)[O-])c1OCC 2323044393 CQNGHGNDDDOFFE-UHFFFAOYSA-N 425.511 1.522 30 10 IDEE COc1ccc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OC 2325513869 NFAPDMMQYGUYOH-UHFFFAOYSA-N 432.454 1.750 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1O 2329018063 XJVKWNCKYCJPKC-CYBMUJFWSA-N 432.506 1.176 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334263858 PMDDJLJCHTWBSN-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE COc1[nH]c(=NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2339785616 ZCUOLOOQUZJLQA-UHFFFAOYSA-N 445.329 1.915 30 10 IDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)cn1 20827715 QNBRNLUFDBVAGL-GZIVZEMBSA-N 431.501 1.763 30 10 IDEE CCn1c(=O)c(C(=O)CNc2cc(C#N)ccc2OC)c(N)n(Cc2ccccc2)c1=O 64554341 IIKOOTQDOSRTIF-UHFFFAOYSA-N 433.468 1.835 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)n(-c2ccc(F)cc2)c1C 434776226 MLUPFHMTYYCHLZ-QFIPXVFZSA-N 438.463 1.717 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)n1 479361077 BGLGAEVSIQZUPK-UHFFFAOYSA-N 432.505 1.393 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 482224470 ZFVCWKBQFIUHAG-DNVCBOLYSA-N 426.498 1.537 30 10 IDEE CNC(=O)CCOC1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508673485 COPDBTOXBQMBLF-IBGZPJMESA-N 427.505 1.380 30 10 IDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 508818723 UUCXDECMGRHWJX-LJQANCHMSA-N 438.532 1.421 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)c1 514475511 ZDDOGBPDECBYRC-UHFFFAOYSA-N 439.581 1.669 30 10 IDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)c1 514646340 WAKDMDVOBDVCKE-LJQANCHMSA-N 437.565 1.831 30 10 IDEE C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533272973 VRZUEQVDHZAJIZ-HUUCEWRRSA-N 426.477 1.041 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 541074794 ISOXNLGAMUDUHE-GFCCVEGCSA-N 448.526 1.088 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2F)CC1 549280772 TWNJWRYESWDJJO-IBGZPJMESA-N 444.511 1.842 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1 555247174 GRDWEDMXAWAEPL-SFHVURJKSA-N 435.550 1.702 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C)C3CCN(S(=O)(=O)CC)CC3)cc2C1=O 574479491 PBYATHGRVZYAAW-HNNXBMFYSA-N 447.557 1.991 30 10 IDEE Cc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1S(=O)(=O)NCC#N 582306396 NZCSFEZGHXLQIA-UHFFFAOYSA-N 438.513 1.859 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@@H]1CCCO1 590914682 PQYFUCCVKQUDSI-SFHVURJKSA-N 425.554 1.735 30 10 IDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 603787643 YUZCEXPTBIYJGN-UHFFFAOYSA-N 435.480 1.828 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccccc1C#N 604001477 GZKHMEHDNHVSMY-UHFFFAOYSA-N 444.516 1.809 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 604184363 NXDOETOQSFELFS-HXUWFJFHSA-N 449.983 1.343 30 10 IDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CCOCC1 609449489 OYPGCNLKSDBUMC-UHFFFAOYSA-N 431.436 1.859 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCN2C(=O)COc3ccccc32)cc1 610187767 HAMQCVBLKNDEIM-UHFFFAOYSA-N 427.482 1.405 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 615025044 DBUPVOUCXMEUMN-UHFFFAOYSA-N 431.456 1.979 30 10 IDEE C#CCN(C(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)[C@@H]1CCS(=O)(=O)C1 729334535 SIZUHOJMOWUTLJ-CTNGQTDRSA-N 438.505 1.891 30 10 IDEE C#CCN1CCC(C(=O)N2CCC(N(C(=O)C3CCN(CC#C)CC3)C(C)C)CC2)CC1 729357227 SQWBNWFCBWTLSR-UHFFFAOYSA-N 440.632 1.905 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729671098 DLNCMSSCAZGHFB-UHFFFAOYSA-N 443.532 1.883 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1CCC2(CC1)NC(=O)NC2=O 732345556 FOADQVWMPFIEAF-CLRXMSQOSA-N 442.472 1.642 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746281817 GSLXHMUMTKDZDM-HZSHHLKBSA-N 426.473 1.850 30 10 IDEE N#Cc1cccc(CNC(=O)COC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1 747966289 XKBJZFUWTHLLCB-UHFFFAOYSA-N 427.360 1.720 30 10 IDEE COC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1Br 756094133 DSNWGRWZBWECHO-LBPRGKRZSA-N 435.278 1.373 30 10 IDEE C#CCNC(=O)c1cccc(-c2noc(-c3cnc4c(c3CC)c(=O)n(C)c(=O)n4C)n2)c1 761796952 DZDJNHQPXWNEIC-UHFFFAOYSA-N 444.451 1.275 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)C1=O 771446668 MTMFDNJZHQOUAB-SPLOXXLWSA-N 430.461 1.074 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 773341132 RWSOGZZJTKFRDR-JOCHJYFZSA-N 438.572 1.582 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 779189378 NCDAWRYFROMHSJ-IBGZPJMESA-N 445.497 1.836 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 780905048 LBXYJTDVFPKQHA-SFHVURJKSA-N 425.470 1.001 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C 788600064 RJHIHGWKWUMDOZ-SNVBAGLBSA-N 425.937 1.308 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)n1cnc(C#N)n1 798354471 XDAVDYBBFBVAGZ-LBPRGKRZSA-N 442.423 1.263 30 10 IDEE C#CCN=c1nc(N2CCC[C@H]([C@@H]3CCOC3)C2)[nH]c(N2CCC[C@H]([C@H]3CCOC3)C2)n1 804565751 RWJFBTVYJPUGDD-XSDIEEQYSA-N 440.592 1.844 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 812361029 YXPYUDCBXNUFJF-KRWDZBQOSA-N 433.559 1.184 30 10 IDEE C=CCC(F)(F)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 815313336 CTIPTEPBRNGZEX-RIYZIHGNSA-N 428.457 1.886 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCCCC2=O)cc1 919766391 YLQADKNZJRLGAB-UHFFFAOYSA-N 426.498 1.558 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCC(=O)NC(C)C)C(=O)[C@]12C 1075950182 QNHNAUJPPVXKMR-UUFSLDAJSA-N 442.468 1.683 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NC3CCCCC3)n2N)cc1 1084315618 VQZSANMAEKRUAZ-UHFFFAOYSA-N 431.522 1.766 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1151859603 HSLZSCGBUKFRCC-OAHLLOKOSA-N 441.513 1.067 30 10 IDEE CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccs1 1163188218 BMAKQOSOYSMDBD-SUMWQHHRSA-N 434.543 1.498 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC1 1229136930 SSIACZZDKHPPCW-JOCHJYFZSA-N 440.569 1.808 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCCC 1286409048 NWBWDYNXGHJGJW-UHFFFAOYSA-N 445.527 1.835 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CCC1 1286410733 VWCIYICBUANTFN-SFHVURJKSA-N 433.578 1.654 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1286420251 BEFAUKWEXLPZIN-JOCHJYFZSA-N 438.509 1.704 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)CC 1286432979 FOLWYOZZFMTUNT-QZTJIDSGSA-N 435.594 1.599 30 10 IDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286631970 CCCVCFSSWBWJLO-HNNXBMFYSA-N 449.968 1.739 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286666296 BBUKFUMMWSFJGO-GJZGRUSLSA-N 439.586 1.047 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286688619 RQNVSUOLUPNVAD-IAGOWNOFSA-N 441.598 1.829 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1noc2c1CCCC2 1286726080 ATDFJRVHWCZOHH-QGZVFWFLSA-N 436.538 1.148 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@@H]1C 1286758028 BCCWVDOOBBUXSQ-KSZLIROESA-N 439.582 1.462 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCN(C)C2)C1 1286813539 XDRCUACIYNWOQI-IERDGZPVSA-N 446.577 1.118 30 10 IDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1288248922 GRMPOLRBIZJQNX-NVXWUHKLSA-N 439.524 1.031 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1288985767 CCSBAAJJYCNFGL-ZZEZOPTASA-N 432.488 1.997 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCOCC1 1300271992 KAYFDABPEUAIOT-HNNXBMFYSA-N 431.924 1.861 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1300492055 LJORJFWQZRRLBZ-KRWDZBQOSA-N 433.578 1.479 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1300493496 VOXRVVCBTIHAQW-XLIONFOSSA-N 437.635 1.610 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)CC 1300647193 BUCQSSIGHJYFAI-GOSISDBHSA-N 449.552 1.890 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@H]1C 1300663625 BWSSISBZCVOSBA-MBSDFSHPSA-N 436.516 1.757 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OC)CC1 1300726454 LNTMBICXIDSHEL-UHFFFAOYSA-N 445.527 1.682 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1301586215 QXWQEBSGYHGGRN-AWEZNQCLSA-N 441.517 1.933 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1301613405 XSOWEACHDGGIDK-INIZCTEOSA-N 440.595 1.270 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1302311248 KCJMPLIESLUFEP-WCIQWLHISA-N 448.568 1.232 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCS(C)(=O)=O 1302954163 GXHVEKVRUCXZOA-MRXNPFEDSA-N 446.581 1.288 30 10 IDEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1309820813 NFBPBXBZUPKFFC-QAQDUYKDSA-N 426.560 1.486 30 10 IDEE CN(C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1314658589 DQBDZOCUTJCJNU-WBAXXEDZSA-N 442.586 1.059 30 10 IDEE COc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1315526385 ZRUPDYOQJOKIMQ-UHFFFAOYSA-N 445.501 1.859 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1316242698 XGXZBGDLFRZKFZ-UHFFFAOYSA-N 438.532 1.975 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358958529 QGURHKHBMALSNK-LSDHHAIUSA-N 440.472 1.897 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OCC(F)(F)F)c1 1358977731 UZDDQTCLLYFZMT-OAHLLOKOSA-N 432.406 1.686 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)c2ccccc2)CC1 1359036555 ZNMRFTQGZBSQIP-LJQANCHMSA-N 442.589 1.072 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359122062 VYYQYHBMENOLQO-INIZCTEOSA-N 436.538 1.388 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359154188 GYUFFESJWFKNJD-UHFFFAOYSA-N 426.912 1.746 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359197075 BWAFAXJCRQLTTN-QGZVFWFLSA-N 438.598 1.636 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359207167 BHWUXAKPCDJLIU-IEBWSBKVSA-N 431.585 1.371 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359213972 NWFHMLAHSAGOOP-OAHLLOKOSA-N 442.545 1.782 30 10 IDEE C=CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290777 PBFOLBHKCDYZSB-CALCHBBNSA-N 447.584 1.493 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1359300373 AMNWGYDNDLCNBL-LJQANCHMSA-N 445.612 1.079 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCN(C(C)C)CC2)C1 1359319381 YCDYQNQTVPIAMR-LJQANCHMSA-N 429.569 1.695 30 10 IDEE Cc1ccc(C2=NO[C@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)cc1 1441006179 DLANROGYASGVKT-NRFANRHFSA-N 438.509 1.893 30 10 IDEE COCCO[C@H]1C[C@H](CO)CN(C(=O)COc2cccc(Br)c2C#N)C1 1448760406 SUMHLOSRDKDSQB-KBPBESRZSA-N 427.295 1.572 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(c2ccc(C#N)cc2Cl)CC1 1473429177 ALCJNFSJFLSPEC-UHFFFAOYSA-N 445.873 1.813 30 10 IDEE Cn1[nH]c(C2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)nc1=N 1475564868 HEDPZWDCJIRERY-UHFFFAOYSA-N 425.312 1.430 30 10 IDEE CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503207860 CNCJPYHNPAKSFK-AEFFLSMTSA-N 426.525 1.933 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CC1 1503827418 AQIWEDIUAHOXKV-QGZVFWFLSA-N 441.561 1.943 30 10 IDEE CO[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503936934 BCRROQXBLWIMLJ-JZXOWHBKSA-N 426.525 1.931 30 10 IDEE COc1ccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1504314780 XCGWUMFUUSEKEN-LJQANCHMSA-N 440.504 1.721 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504680436 PGILFPAXVBZALK-ZJYNUGOYSA-N 425.493 1.662 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1504887391 VOBSODHHOMGERT-UHFFFAOYSA-N 445.524 1.677 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1505027360 OYHBAIHNOJOHCE-YVGXBJCXSA-N 429.546 1.970 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1507632256 KGQIDMFOUAYQDC-ROUUACIJSA-N 430.530 1.553 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1507666401 BRTAOMIYCGXAMF-UHFFFAOYSA-N 433.516 1.635 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOc2ccc(F)cc2)CC1 1507723392 GUILIUWWLUXECV-FQEVSTJZSA-N 440.523 1.983 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C(C)C)CC1 1507727522 PVWYFYQJQKXSGO-OAQYLSRUSA-N 430.578 1.432 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(OC)C2CC2)CC1 1507738422 OPXWKPZMPJLGEA-VGSWGCGISA-N 428.537 1.010 30 10 IDEE C=C(C)COCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1507847581 AKZQXPJHMNUWHX-BWAGFHJFSA-N 436.553 1.907 30 10 IDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1507848843 OZWAVIWTLLOMAL-RTBURBONSA-N 439.516 1.588 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507894650 IWJFVYUVGHVCCT-HTXNQAPBSA-N 427.509 1.345 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1508100434 KGHJILUNZSNDDO-LJQANCHMSA-N 435.488 1.299 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1508518512 SKDLAOFYHNOIBL-MRXNPFEDSA-N 443.577 1.604 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1515743270 KXMAIEDMQHYGFY-ZWKOTPCHSA-N 433.534 1.228 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)COC)c2ccccc2c1=O 1515948992 BFCTYDAZPJQMJH-JKSUJKDBSA-N 437.504 1.686 30 10 IDEE CN(c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1517055435 BEXYZYLKWLJOBA-BZROSYFNSA-N 440.479 1.760 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517125689 UASYGVGQLZJNFO-ZBKJMMEJSA-N 447.499 1.816 30 10 IDEE CO[C@]1(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)CCOC1 1517940989 LIZIOPRKKMUORD-QFIPXVFZSA-N 425.537 1.974 30 10 IDEE COCC[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1518970548 XYVSLYKIORSVIR-RXVVDRJESA-N 430.578 1.894 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)OC)c1 1539045684 HNCKKVOMGRIAAG-UHFFFAOYSA-N 438.532 1.882 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1539213309 XSWSANPZIJDIJI-QGZVFWFLSA-N 442.545 1.872 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539264954 ALYQHADQWJUCSW-JOCHJYFZSA-N 433.556 1.860 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540036542 OPRPIJWWVOSDON-ROUUACIJSA-N 446.552 1.879 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1540187137 LQRAQMWJGJIZRM-UHFFFAOYSA-N 429.521 1.770 30 10 IDEE CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1540488153 GLIWXUSNOHEFTN-UHFFFAOYSA-N 443.397 1.920 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCSCC2)C1 1540894947 HTLKBTDLPWDFOS-LJQANCHMSA-N 431.610 1.970 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1541121268 GGTZJEGZXNMQQG-BRSBDYLESA-N 436.582 1.930 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 1542895069 YQIKOLVEOAYSLJ-UHFFFAOYSA-N 436.306 1.118 30 10 IDEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1542983858 HLJOXXAHTTVYEM-UHFFFAOYSA-N 440.533 1.143 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)N(C)C)n1 1543049381 BAEHRQWEAWYKEA-UHFFFAOYSA-N 449.519 1.153 30 10 IDEE COCCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369547 RWKRVUNEAIINSD-QGZVFWFLSA-N 439.438 1.702 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c1 1556446465 IMWYHJIWXMEECX-CYBMUJFWSA-N 426.416 1.982 30 10 IDEE Cn1c(SCCS(=O)(=O)c2cccc(C#N)c2)nc2cc(S(N)(=O)=O)ccc21 1559330242 RTZTVYLPMQXFOH-UHFFFAOYSA-N 436.540 1.658 30 10 IDEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)nn1 1563691497 KGBYVPBQIZWNRQ-MRXNPFEDSA-N 432.550 1.884 30 10 IDEE CC(C)OCCOC[C@H](O)CN(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1564531175 OPEWBUDARKBDPO-BRWVUGGUSA-N 428.530 1.189 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)O1 1585534048 HJIQIAGNOFRQMI-BBWFWOEESA-N 436.306 1.879 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1587615103 QOOXUISZKWYIRV-OAHLLOKOSA-N 445.593 1.858 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1588040524 NZTVDALEODIDPY-LJQANCHMSA-N 427.530 1.870 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)C1CC1 1588646309 ISNJTIKRTPLCRZ-HSZRJFAPSA-N 439.564 1.699 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2ccccn2)CC1 1588813401 XMKMGGVYYPYRJM-GOSISDBHSA-N 442.589 1.308 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2nc(C)no2)CC1 1588930038 LVAZKXQKOYCKGE-SFHVURJKSA-N 441.536 1.462 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1589528162 CYADBLXCZGBEPD-SCTDSRPQSA-N 430.553 1.515 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1595500657 ASAWMIFKJHGWEY-FQEVSTJZSA-N 437.548 1.666 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCC(=O)Nc1ccccc1 1611658422 CUWCJRZIPAPNJZ-HUUCEWRRSA-N 433.538 1.655 30 10 IDEE N#Cc1cccc(NC(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2nnnc2Oc2ccccc2)c1 1614587363 JECISGJVUAPUME-MKXGPGLRSA-N 433.428 1.866 30 10 IDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)C(=O)OC(C)(C)C 1617356618 GSFAIOUAXIOKMX-UHFFFAOYSA-N 447.916 1.744 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1619969086 MIJVAMBUHQQQMA-LPHOPBHVSA-N 447.561 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CCCc2cc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)ccc21 1622181886 HQHUMMKZUMPHSW-KRWDZBQOSA-N 436.534 1.933 30 10 IDEE C#C[C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1I 1625165460 NEXKJDADJNNZRA-SMDDNHRTSA-N 444.269 1.967 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2C(=O)COc3ccccc32)s1 1629143519 YCDALANGXNCNIA-UHFFFAOYSA-N 449.554 1.687 30 10 IDEE C#CCCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1629897819 ULUMNBSACOEHQC-UHFFFAOYSA-N 439.603 1.359 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 1632966780 YGXSTMAGKNEINF-UHFFFAOYSA-N 438.706 1.467 30 10 IDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1633766138 ATAZGOQCEJYXBF-FOIQADDNSA-N 440.525 1.512 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919238 WCISTBWHALMJTJ-IAGOWNOFSA-N 436.472 1.477 30 10 IDEE COCc1ncc2c(n1)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1635527166 ICRUZMQPTXYQGQ-UHFFFAOYSA-N 429.502 1.027 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1635737439 NVZFACRIGMTEMU-LBPRGKRZSA-N 430.939 1.139 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 1640630481 YGOQYKXELCSRDV-WMLDXEAASA-N 448.545 1.741 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640916138 LIMCTQHCWHJSHO-PMACEKPBSA-N 431.452 1.827 30 10 IDEE N#Cc1ccn(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c(=O)c1 1641286379 SKGZMRUDVKFQAO-UHFFFAOYSA-N 427.486 1.609 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)cc1 1642832322 WBRNTWNMIBNWFQ-OAQYLSRUSA-N 426.498 1.148 30 10 IDEE N#C[C@@]12CN(C[C@H](O)COc3cc(F)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1648416358 YKHQDCHIJRMXTK-PJODQICGSA-N 433.299 1.198 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)CCOC1 1659497983 HIZZFSHVSGWFIY-SPLOXXLWSA-N 432.546 1.385 30 10 IDEE C#CC[C@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccccc1 1670716513 NQVLAWPCACAJKT-INIZCTEOSA-N 432.468 1.911 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)NC1CCN(S(N)(=O)=O)CC1 1678356446 VZKSRZXEMFWUQL-UHFFFAOYSA-N 433.328 1.803 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CCN1Cc1ccccc1 1684303099 KLCHOJJHVBXADJ-KRWDZBQOSA-N 431.493 1.393 30 10 IDEE C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccc(S(N)(=O)=O)cc1 1684426971 UUJVGZIDEHKYKW-QFBILLFUSA-N 427.530 1.815 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@H]4CC[C@@H]3N4C(=O)OC(C)(C)C)CC2)c1C#N 1684539028 VJZNMXZBEBEWLI-NJAFHUGGSA-N 443.552 1.972 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1685266450 AWZCCYOCJGPURN-MSOLQXFVSA-N 448.564 1.716 30 10 IDEE CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1686424141 OYHCDKRZYXWYDV-YEWWUXTCSA-N 425.532 1.121 30 10 IDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689913213 JRYQESZZIAQETH-DYXWJJEUSA-N 446.596 1.404 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)COCCO1 1689971998 DRWOTPROQNUJCH-XMMPIXPASA-N 438.576 1.518 30 10 IDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689982483 OLGDZIURZCKTSE-INIZCTEOSA-N 441.513 1.406 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689993214 XXTSXJALYFZCSL-ZWCUEREDSA-N 443.573 1.442 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1690019694 PHCVRYGFKUWNDU-LJQANCHMSA-N 443.529 1.191 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(N2CCOCC2)n1 1690104059 LNWQMUQCDGXUJC-SFHVURJKSA-N 426.521 1.148 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)NCCC)CC1 1690113402 IOZUCVLJVBOROF-UHFFFAOYSA-N 448.369 1.328 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690472753 VCEBDPFTANKSQR-CVEARBPZSA-N 426.587 1.548 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCO[C@@H](C)C1 1690659558 WOLKQMZNIKLXFZ-HNNXBMFYSA-N 446.939 1.779 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690662787 DHUAOILIIPLATN-GOSISDBHSA-N 440.548 1.414 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1690665659 LIVLTQXGQVRTNA-OAHLLOKOSA-N 442.520 1.322 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)no2)CC1 1690670578 FKJAQCQYIBIVPC-SFHVURJKSA-N 429.525 1.441 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1691006780 PPQIFDVRIZOWFC-CYBMUJFWSA-N 428.447 1.954 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1696426217 MRCJNSBITJTBQX-QGZVFWFLSA-N 437.548 1.642 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1705550143 SIFIPQVJQPPOIV-QGZVFWFLSA-N 435.532 1.108 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1705567070 SYTHRCSNBLFVQL-IAGOWNOFSA-N 449.964 1.896 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2cnnn2C)CC1 1705632858 CWCRHQANDKPQEM-LJQANCHMSA-N 434.548 1.967 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705658334 MFCDCDWIABRBST-UHFFFAOYSA-N 435.561 1.835 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1705725546 HLBIEWZELDELJR-LPHOPBHVSA-N 447.561 1.975 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1705873286 CVIQMJHPHQQWBS-UHFFFAOYSA-N 443.533 1.664 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705896255 GYEBIZJLIHSASD-QGZVFWFLSA-N 426.521 1.751 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705898508 ODLUKPTUVDQSNO-CQSZACIVSA-N 438.941 1.309 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCOCC2)CC1 1705900469 DZKOOYWSXUDRNG-UHFFFAOYSA-N 425.537 1.252 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705906266 YHFDXIATNRGDSQ-QGZVFWFLSA-N 426.550 1.113 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705912509 MCRBEDXIKNLXSM-SJORKVTESA-N 445.545 1.466 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCOC1 1705931260 KLUAFDUVNZLSAE-MRXNPFEDSA-N 436.534 1.788 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1706069354 AUPVMMZWGIEXLQ-QZTJIDSGSA-N 444.584 1.053 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1706747499 NJLHSYPWHYRPCN-GDBMZVCRSA-N 438.579 1.654 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1706936776 ALCLYENGIKCREL-SJORKVTESA-N 436.582 1.584 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](F)COC)CCN2C1=O 1710172863 HWRTXUILKLYIGC-DLBZAZTESA-N 441.467 1.274 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1711595299 BSZTWJDFGQXPCF-GNDBUYPCSA-N 437.504 1.872 30 10 IDEE C#CCCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722339826 YIDWKECGJKRUBN-RXVVDRJESA-N 434.562 1.359 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1722389688 LRHDXXHXNXZTRZ-INIZCTEOSA-N 445.593 1.258 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2sc(C)nc2C)CC1 1722430136 YGLZFRKVUHCFRS-UHFFFAOYSA-N 427.578 1.585 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1722671990 HJOGPLMRXHFEMG-SFHVURJKSA-N 441.557 1.693 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722687913 TZUITOLPIOJGOI-OALUTQOASA-N 443.596 1.213 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1726666203 HEOVHKOSPPGUGM-WBVHZDCISA-N 430.534 1.323 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1729556844 NQSHBNANOAZOEJ-SFHVURJKSA-N 433.534 1.493 30 10 IDEE COC(OC)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1729906455 QVWPAVQMJSMGLL-SJORKVTESA-N 426.477 1.298 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCOCC2)C1 1731009972 GOABNAHEGJVCAP-QGZVFWFLSA-N 430.534 1.325 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740616001 PMPSNGTUIXMYHE-FHWLQOOXSA-N 432.569 1.014 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740623945 AIPBMISBXOAYDA-CABCVRRESA-N 438.500 1.809 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1740647363 MXXMULDZSBSLJN-LJQANCHMSA-N 442.541 1.617 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1740686458 UFXUZOXHOKDKFW-SFHVURJKSA-N 445.545 1.273 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCOC2)CC1 1740704582 TWNQSXOZOBFYKB-JOCHJYFZSA-N 427.480 1.201 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740722616 KONRTWVKNSTWEN-APWZRJJASA-N 441.557 1.947 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1740745402 TXOOPQPPKHUJSE-AWEZNQCLSA-N 446.371 1.676 30 10 IDEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C)C1CC1 1740908890 PNWGSHDYDRSNGP-UHFFFAOYSA-N 433.534 1.763 30 10 IDEE CCN(c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1745968846 KDJDOGZGUVUFDK-DXQAYGFFSA-N 448.549 1.085 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(N)=O)c1 1748666438 APUSAVKOIGQIMB-AWEZNQCLSA-N 436.472 1.376 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748819657 RBUCBGKDAXVRCT-HXUWFJFHSA-N 442.589 1.375 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1748824233 LWOTVPWMPNYYIN-SFHVURJKSA-N 443.529 1.392 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1748929729 OPLKJVVGWMGZCT-SFHVURJKSA-N 429.546 1.841 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1748944668 AXJNMRPGJDVWNY-KRWDZBQOSA-N 432.521 1.874 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2ccco2)CC1 1749009668 VFCKHSAWPQHNRS-UHFFFAOYSA-N 447.499 1.329 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)O)CC1 1749015521 XWOAQTCKJXOLMZ-UHFFFAOYSA-N 431.487 1.884 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749207560 MYXLRNUDKOJJCJ-XXBNENTESA-N 446.596 1.638 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749225956 MAJIYNBVUGSMOE-CVEARBPZSA-N 445.524 1.906 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1749487415 CYQQCIUWPOBGOQ-MRXNPFEDSA-N 427.477 1.560 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C1CC1 1749519518 MAESJBGKZRGTBE-QGZVFWFLSA-N 432.506 1.279 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)C1 1749717554 MFQWMUAJIHDMTN-DLBZAZTESA-N 437.566 1.149 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1749721703 RIBPVUNZVJPRQO-HXUWFJFHSA-N 443.533 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC(C)C)C1 1749734413 IWBWHVUYAGLHOQ-DLBZAZTESA-N 444.623 1.653 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CC1 1749827688 IHKRAAOMPOHWFW-UHFFFAOYSA-N 438.941 1.937 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN1CCCO 1750441464 GDVGFBWOLNSLEN-SFHVURJKSA-N 439.564 1.957 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1760190274 ZHTTWVSSYJXXHM-OALUTQOASA-N 444.557 1.774 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1760206411 YSGTUBCYUWFLSN-KRWDZBQOSA-N 428.514 1.319 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1760232551 APEMQEAEYWJNRN-GJZGRUSLSA-N 443.520 1.506 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ncnn1-c1ccccc1 1760250054 BPLBTWHTEOVYFZ-UHFFFAOYSA-N 445.531 1.855 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCO2)n1 1760253493 ZWLHUCQWCUKNBH-RTBURBONSA-N 441.536 1.281 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCOCC2)CC1 1760271309 TYYUYPYDDOPJMV-UHFFFAOYSA-N 439.564 1.532 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1760695337 FZHYHKBRAOXJPQ-WMLDXEAASA-N 430.534 1.118 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763805699 FMQFUBPAUOOBDG-JXIKTEDXSA-N 444.536 1.702 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1766944097 GFGGTLOKMITZEQ-MRXNPFEDSA-N 427.893 1.327 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CCO1 1767713308 QSLJIZSSKMEMCG-HZPDHXFCSA-N 432.431 1.192 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1768293257 YLXUDXZGOYAOLD-UHFFFAOYSA-N 430.534 1.539 30 10 IDEE COc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1768466753 CEMQBKCREKHFKZ-NRFANRHFSA-N 445.545 1.633 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1768659543 DTIKWTIBHQFPGR-CQSZACIVSA-N 435.410 1.416 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2C)C[C@H]1O 1769451557 DYZPNPIYYGIHED-KCUHQSDYSA-N 439.516 1.850 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(CC#N)CC2)C1 1770342709 GBHLNWYWHDHWIC-SFHVURJKSA-N 443.577 1.675 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCn1ccnc1C 1771305063 RKIVRACQGFTHJO-OTWHNJEPSA-N 429.525 1.716 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCNc2ccccn2)cc1 1771533507 NOSNBMGDMMZMHK-UHFFFAOYSA-N 437.529 1.949 30 10 IDEE C=CCN(C(=O)COc1ccc(I)nc1OC)[C@@H]1CCN(C)C1=O 1849212282 BFCPKUQPLKFFRL-LLVKDONJSA-N 445.257 1.319 30 10 IDEE COCC(=NOC[C@H]1CCCO1)NS(=O)(=O)c1cc(OC)ccc1Br 1853480344 QPRCJQFIMLDBIM-GFCCVEGCSA-N 437.312 1.892 30 10 IDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1856161138 YAXZRMVHDIFBSG-GOSISDBHSA-N 436.578 1.191 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858334853 KEQMPSKYFFOOML-KRWDZBQOSA-N 433.511 1.502 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1858647204 ZAGQQIOHFTVYGQ-UHFFFAOYSA-N 432.458 1.628 30 10 IDEE C=CCN(CC=C)c1cc(N2CCN(C(=O)CCN3CCOCC3)CC2)nc(CC)n1 1869134010 WLMMYIJQHJCZQB-UHFFFAOYSA-N 428.581 1.588 30 10 IDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870560166 JXFSSUJEDVAIQL-QGZVFWFLSA-N 429.542 1.788 30 10 IDEE COC(=O)C1(C(=O)ON2C(=O)c3ccccc3C2=O)CCN(C(=O)OC(C)(C)C)CC1 1886244762 XQMXCNVKIDJBEC-UHFFFAOYSA-N 432.429 1.931 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 1889306106 RNARWEDMPSFPOJ-HXUWFJFHSA-N 432.609 1.282 30 10 IDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1891737355 SZAQIOHFZAZCRP-FXAWDEMLSA-N 448.545 1.694 30 10 IDEE CC1(C)OB(c2cnc(NS(=O)(=O)N3CC(OCc4ccccc4)C3)nc2)OC1(C)C 2043681567 ZZULMPOFVZUTOD-UHFFFAOYSA-N 446.338 1.334 30 10 IDEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243679342 WRUTVVAKBAYRHM-LLVKDONJSA-N 427.332 1.903 30 10 IDEE C=C(CN(C)C(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248445236 JWRGWQRKIBNJDK-CQSZACIVSA-N 425.335 1.791 30 10 IDEE CC1(C)OB(c2cnsc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255642559 HVNZQGKCIYCWBP-QWRGUYRKSA-N 445.272 1.820 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2255653394 IHRNAQRTSMKDBG-NHAGDIPZSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCC1 2255697602 JJFSXWOMKFKGJR-UHFFFAOYSA-N 432.330 1.953 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255839746 CSTGYCYFTMUKSS-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2256882398 JVXBUAHMKYFCRR-KRWDZBQOSA-N 426.278 1.781 30 10 IDEE COC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2261073184 XMVYNENXCKVVPW-OAHLLOKOSA-N 438.330 1.974 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2267269055 BMAFEJXTOMOJLU-UHFFFAOYSA-N 441.259 1.912 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)n1 2267548242 QQYGSBWODACKBS-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 2267597501 QUXPSZCCHCSGHW-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 2267597829 URNGQQVMLJHYDO-CQSZACIVSA-N 443.275 1.998 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCOC[C@H]1CNC(=O)OC(C)(C)C 2267600545 IBWWVRGTGPGXSA-MRXNPFEDSA-N 449.357 1.690 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267874060 WCKIEAUIFTZDEL-AWEZNQCLSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2267882675 WAFNTJOBYSVUJS-QLFBSQMISA-N 444.341 1.904 30 10 IDEE Cc1nc(NC(=O)[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268697511 OEJZMLWJNSNNTJ-HIFRSBDPSA-N 448.329 1.562 30 10 IDEE CCCS(=O)(=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269038848 QALQJQDBQLXAJN-UHFFFAOYSA-N 429.778 1.719 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2269707021 HWDGYKRKUOZJSA-HOTGVXAUSA-N 447.341 1.711 30 10 IDEE C=CCOC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270520659 DQVPNNQSTJYTCX-KRWDZBQOSA-N 426.491 1.363 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)C(=O)O 2315601547 FXSDJRWCLKLCBV-OAHLLOKOSA-N 429.282 1.119 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC[C@H]1[C@H]2NC(=O)OC(C)(C)C 2337201350 UHETYIQBWVLNGU-ILXRZTDVSA-N 446.357 1.847 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 27558844 GIRXOCQEPAWUHM-UHFFFAOYSA-N 446.507 1.320 30 10 IDEE C=CCOC[C@H](O)CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)C1 34691713 NHTIPIFFDSEXPY-UXHICEINSA-N 432.517 1.532 30 10 IDEE NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 90743811 XOEDFECQXIKTOH-UHFFFAOYSA-N 441.509 1.382 30 10 IDEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 103936593 ZQXARYHLORSUIF-OBOGJDLMSA-N 434.474 1.751 30 10 IDEE C[C@H](C(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)n1cnc(C#N)n1 409973872 KWJOVNUANABRLP-HFTRVMKXSA-N 438.488 1.511 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 466101750 JDKVQEOXLIENMM-UHFFFAOYSA-N 444.513 1.662 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)CC1 467749380 MTBDBLXOHAAANX-CQSZACIVSA-N 425.455 1.355 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C4(c5ccc(C#N)cc5)CC4)CC3)C2=O)n(C)n1 474197121 VCRNPQOIJAWLJY-NRFANRHFSA-N 446.555 1.972 30 10 IDEE O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476809999 UZJBBLJMUWLCHX-OAQYLSRUSA-N 432.480 1.316 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 483126173 UFJJJXGAHCIFJD-YLJYHZDGSA-N 426.542 1.958 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cscn2)c1=O 497562179 VXLMAMNJZBSLIP-UHFFFAOYSA-N 438.534 1.026 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(c4c(C#N)nnc5ccccc45)CC3)C2=O)n(C)n1 505828549 ZSXMQGKHEZZTJB-FQEVSTJZSA-N 430.516 1.861 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 509173676 XTQOOEYKXLNUAA-CYBMUJFWSA-N 425.454 1.622 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 511550705 ACPRRCGMAZSXCQ-PXNSSMCTSA-N 433.940 1.241 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 516425181 YBYQXVCRPQLIBB-JLSDUUJJSA-N 427.530 1.896 30 10 IDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 549025103 XYWYABCTKLKGAM-QGZVFWFLSA-N 442.545 1.542 30 10 IDEE N#CC1(CS(=O)(=O)N2CCCC3(CCCN(S(=O)(=O)CC4(C#N)CC4)C3)C2)CC1 570609266 UZYYCTQAAXHRBE-UHFFFAOYSA-N 440.591 1.432 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1-c1ccccc1C#N 580986877 SXCWYQGPXGKKSL-UHFFFAOYSA-N 426.910 1.735 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCN1CCOCC1 588152264 MBHYMHIQQZOGFM-GOSISDBHSA-N 439.581 1.669 30 10 IDEE CCCCCCCC[C@H](C)N[C@H](CCC(=O)N[C@H](CS)C(=O)NCC(=O)O)C(=O)O 604938632 AHTCGADZHAQXKX-ARFHVFGLSA-N 447.598 1.564 30 10 IDEE CSc1nc(O)c(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1C#N 609421637 SWKNENVKAILJMM-UHFFFAOYSA-N 443.504 1.708 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)c(F)c1 619518744 GAINZVFVKNLBRM-UHFFFAOYSA-N 431.449 1.132 30 10 IDEE C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671666019 STFSVUXPGOLMGT-GOSISDBHSA-N 430.530 1.851 30 10 IDEE C[C@H](NC1(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCOCC1)c1ccccc1 733649885 FFFPTZSNMVRJCT-UNEBPCJRSA-N 441.532 1.712 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(OC)nc3)c2=O)cn1 735069382 SZLMKYXGYMVKTL-UHFFFAOYSA-N 449.536 1.781 30 10 IDEE C=CCc1ccc(OCC(=O)NS(=O)(=O)N2CCC[C@@H]2C(=O)OCC)c(OC)c1 735774565 YQAWBBNAZVMQCM-OAHLLOKOSA-N 426.491 1.191 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 742676489 IZLKSNMFQXEJGF-CRAIPNDOSA-N 440.525 1.816 30 10 IDEE C#CCN(C(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)[C@@H]1CCS(=O)(=O)C1 751274491 VMKLSUGZHDODDM-UWVAXJGDSA-N 436.530 1.365 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 751926386 UVBLGVBJKSUPCV-KDOFPFPSSA-N 445.589 1.309 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756883861 LMUDXMVFTMGAIZ-KCQAQPDRSA-N 440.497 1.368 30 10 IDEE COCC#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 762755422 PLIBODSCDLRTJY-UHFFFAOYSA-N 432.292 1.277 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CCC1 771076102 DRWFTUGERNNWFG-GOSISDBHSA-N 426.498 1.563 30 10 IDEE COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 772900011 KLIGZZVAEBRMRZ-UHFFFAOYSA-N 448.548 1.666 30 10 IDEE C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781136194 JKYLJFUMZKKVDG-UHFFFAOYSA-N 445.548 1.859 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C[C@H]1CCCO1 802691313 FHOWGRKVKYOOEE-GOSISDBHSA-N 429.546 1.978 30 10 IDEE C/C(C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)=C\c1cccc(C(F)(F)F)c1 807978901 HIXRZZKHKNDVDW-MPNBXRLOSA-N 430.408 1.470 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 809808085 YWDVGEUNWUAHAH-UHFFFAOYSA-N 437.305 1.510 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C[C@@H]1CCCO1 812274018 RFULSNVVABQBBA-ZDUSSCGKSA-N 436.484 1.488 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc(OC)c1OC 916196728 GISRQQVUASJTDO-HNNXBMFYSA-N 427.482 1.141 30 10 IDEE C=CCN(C(=O)c1cc(Br)c2ncc(C=O)n2c1)[C@@H]1CCS(=O)(=O)C1 1136358115 FFJJYGJLUYYOKM-GFCCVEGCSA-N 426.292 1.725 30 10 IDEE C/C=C/C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 1138132136 UDYMETUUZYFXRW-JUGMSXHOSA-N 433.530 1.973 30 10 IDEE CCCc1c(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)cnn1-c1cccc(C#N)c1 1138334811 WHXBJIFHRZGHPY-UHFFFAOYSA-N 439.501 1.779 30 10 IDEE COC(=O)Cc1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1142471212 HLQVARICQYHKPI-GFCCVEGCSA-N 433.461 1.997 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1154270885 DQXGFSCEVLHTEW-OAQYLSRUSA-N 448.545 1.839 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1154702783 SWNXDFAXVDPBHY-SREVYHEPSA-N 433.452 1.711 30 10 IDEE C#CCN(Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C1CSC1 1171867622 JBPBAXIJIZHBBA-UHFFFAOYSA-N 434.587 1.628 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC[C@H]1N1CCN(C)CC1 1210977805 HWCDQDVESVRXRI-RDTXWAMCSA-N 441.395 1.967 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 1259413503 MAUCAICRUBFMPN-MRXNPFEDSA-N 441.481 1.870 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCN(C)C)cc1 1286377218 ULXDRYIVVWJYLC-GOSISDBHSA-N 431.562 1.238 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1286390198 YMYJVQYUTIDIBR-KRWDZBQOSA-N 440.504 1.858 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2([S@@](C)=O)CC2)CC1 1286493138 LSKVJBIUFHALJT-NOVUIFNWSA-N 433.578 1.049 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1286522432 KBFMTTAUEPIFRW-PWIZWCRZSA-N 437.635 1.610 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286608176 ZFHMJUJHANIPFW-UHFFFAOYSA-N 427.553 1.610 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)N2CCOCC2)CC1 1286651864 NPJLCYLRPZXNDG-INIZCTEOSA-N 440.614 1.402 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC)[C@@H](C)C1 1286782248 PBPMQTDTGSHRTE-INIZCTEOSA-N 446.577 1.181 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncc(Cl)n1C 1286786372 CUBZVNXHHKTXEP-UHFFFAOYSA-N 446.899 1.331 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1286822788 HOCAYNSOKFBRBO-IBGZPJMESA-N 445.545 1.865 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCc3c(CC#N)cccc3C2)c1 1287461185 MVAQPKLWCJJPGH-UHFFFAOYSA-N 442.541 1.530 30 10 IDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1298064865 BHWHFAXGJOJWPK-DFYVNMARSA-N 431.514 1.214 30 10 IDEE C#C[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1298583752 FGTAWXZPYWVTJN-NVXWUHKLSA-N 428.514 1.223 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1300553528 JZVJOYGFRCCTQY-SAHWJRBASA-N 440.548 1.600 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300752319 ZMFFYOYREMBSAK-UHFFFAOYSA-N 449.584 1.584 30 10 IDEE C#CCSCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1300778401 VILGLLBRSHEGTF-SIKLNZKXSA-N 449.621 1.455 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NC)CC1 1300863232 LQNFEQHEZALTEZ-GJZGRUSLSA-N 442.358 1.873 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOCC)CC1 1300882747 XGLRKOUFHVOQAV-QUCCMNQESA-N 427.553 1.875 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301040953 ILXSVYDJBLMEEE-LZQZEXGQSA-N 436.988 1.913 30 10 IDEE CC#CCCNC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1312524766 DAQRHLGDLMBJJX-ZWKOTPCHSA-N 433.553 1.977 30 10 IDEE C=C(C)CCNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1312727459 VBWDKWUNHSVEGG-UHFFFAOYSA-N 442.925 1.653 30 10 IDEE CCOCc1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1314329609 XQOHTBAOXZVVSC-QBNCKDSPSA-N 444.536 1.472 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315044212 BWSFWBGCRVJIAT-UHFFFAOYSA-N 437.508 1.223 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 1357995013 DSNIOUFMRDAQFW-SFHVURJKSA-N 426.517 1.787 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@H]1C 1358930146 PGQYIYMCAGILTL-PMPSAXMXSA-N 427.596 1.355 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCOCC2)CC1 1359031693 LVILPXWNXMZQOO-UHFFFAOYSA-N 443.573 1.530 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCC(C)CC2)CC1 1359047367 DHWNJTPGKYEFDK-HXUWFJFHSA-N 428.581 1.827 30 10 IDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359085268 HWCRCKBWRDWJAX-AWEZNQCLSA-N 426.340 1.796 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1359231265 RRDOMARSXIOWAT-AWEZNQCLSA-N 430.575 1.768 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1359240683 VJMIRIPAPNRCFL-ZWKOTPCHSA-N 440.614 1.498 30 10 IDEE C=CCSCCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1359337233 MJYLRWUXKRLWGT-QGZVFWFLSA-N 443.639 1.952 30 10 IDEE CCO[C@H]1C[C@@](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)(C(=O)OC)C1(C)C 1447830122 HILFUSMXVFPVRI-HNAYVOBHSA-N 426.466 1.600 30 10 IDEE C#CCN(C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 1456088035 SQKHXQWORYAAET-JSGCOSHPSA-N 425.304 1.524 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)C2)C1 1456862969 SKUKIRXRWJYORA-VJSAIMCRSA-N 432.565 1.831 30 10 IDEE CNC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(F)cc1C 1457881642 RMWJQLJXYKFSEI-KRWDZBQOSA-N 446.504 1.005 30 10 IDEE CC(C)C[C@@H](C(N)=O)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1460683450 LRCWNAPICCNKCP-INIZCTEOSA-N 428.493 1.287 30 10 IDEE CCc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1\N=CC=CC1=O 1498715320 RTIQTCIZTCSEBQ-FMQUCBEESA-N 439.476 1.954 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504680434 PGILFPAXVBZALK-MEUCICPISA-N 425.493 1.662 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncn(C)n1 1507539671 AILJMPCFLXXDKL-LJQANCHMSA-N 433.564 1.278 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1507632254 KGQIDMFOUAYQDC-MSOLQXFVSA-N 430.530 1.553 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCn2ccnc21 1507704136 QLECGPQIKRZSHA-GCJKJVERSA-N 428.537 1.790 30 10 IDEE CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1508821643 BSWPRWJBBJGRPR-GOSISDBHSA-N 438.536 1.147 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1517631889 FBNGDZCAUQODCZ-LBTNJELSSA-N 428.534 1.188 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C[C@@H]1C 1519206155 IBVAWANDPWRFEU-SFHVURJKSA-N 434.548 1.950 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1519432643 SGSJRSJLHSAKDY-BZSNNMDCSA-N 437.566 1.709 30 10 IDEE C#CC[C@@]1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCCN1C(=O)OC(C)(C)C 1523980053 LKLSMGKEZXTZIF-NRFANRHFSA-N 428.493 1.849 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2nnnc2-c2ccsc2)c1 1534106056 NGESHTIUWWCUOH-PGMHBOJBSA-N 445.530 1.853 30 10 IDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539221036 XYUUMVSOCLAIOT-GJYPPUQNSA-N 446.529 1.452 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(=O)NC)CC1 1539440814 BJDBSANXUZJUEC-UHFFFAOYSA-N 438.532 1.244 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539453573 MMTWMYVHIZBMNE-GOSISDBHSA-N 439.564 1.932 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2C[C@H]2CF)CC1 1539467196 OMLIMICOKUJTMP-JKSUJKDBSA-N 425.468 1.422 30 10 IDEE C#CCSCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539531041 RBQRXMGZAGGGBJ-NRFANRHFSA-N 435.594 1.744 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539531312 VYZMFDUADLBQLL-VQIMIIECSA-N 442.607 1.310 30 10 IDEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539596782 PXHMBSLNLIECSD-UHFFFAOYSA-N 437.342 1.381 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540006056 QAZLPKRENXJFMB-GOSISDBHSA-N 441.561 1.740 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)C1 1540883126 UPYOFBDCFKAECY-MJGOQNOKSA-N 443.552 1.598 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1541111249 HTRXWICTIXWHMZ-NYHFZMIOSA-N 437.504 1.593 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1541263959 AFNHQIJWTNTYNG-INIZCTEOSA-N 439.520 1.768 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1545846243 HKEWDDKFACMGIZ-GOSISDBHSA-N 426.477 1.292 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1548281090 WCFNWBAZJMPPGE-FQEVSTJZSA-N 426.521 1.391 30 10 IDEE COCCOCc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1 1555709445 LTLCMVGVHJDWFD-HXUWFJFHSA-N 437.504 1.619 30 10 IDEE C[S@](=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CC1 1555820309 BTSGMMMTSJJUTP-RXAIFQJESA-N 425.580 1.221 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCN2CCOCC2)CCO1 1555992094 GMZPUAKYEVKSMC-IBGZPJMESA-N 441.492 1.694 30 10 IDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCS(=O)(=O)C1 1556197947 POVUQKAPZBVVHS-JQCXZVQFSA-N 425.551 1.666 30 10 IDEE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1559031129 STELGVQATKECPK-OFNKIYASSA-N 438.553 1.817 30 10 IDEE CCO[C@H](C)c1noc(CN2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)n1 1559576693 JANYVZKRJKOZDQ-QGZVFWFLSA-N 437.500 1.584 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cnc(Br)cn3)C2=O)cc1 1568986171 VQZLFADQQIIWHZ-AWEZNQCLSA-N 443.261 1.632 30 10 IDEE C=CCn1cc(CNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nn1 1570505705 PWJMZSGZNXQVAR-UHFFFAOYSA-N 437.831 1.731 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587921859 LGIMBLRWMWYSHG-FDDCHVKYSA-N 440.548 1.668 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1588068870 BEODKYJNXCPJPK-SFHVURJKSA-N 428.518 1.408 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1589530271 UKAQMZJYJPDWKX-KPFFTGBYSA-N 444.580 1.951 30 10 IDEE C=C(C)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593677854 OHQDQKMKYQQLLO-FQEVSTJZSA-N 441.598 1.755 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 1595411249 YLQOXUOADVCITK-LBPRGKRZSA-N 436.417 1.021 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595577652 ZSDQRPNTPCYWSA-QGZVFWFLSA-N 426.521 1.443 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)CC1 1595664301 AUEKZTALLOQKNC-UHFFFAOYSA-N 438.532 1.715 30 10 IDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1610925409 FOYUNKJEMYEKSG-UHFFFAOYSA-N 440.525 1.430 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCOC2)n1CC(C)(C)O 1612884896 IAEXKNLAXRWEAZ-CVEARBPZSA-N 426.525 1.320 30 10 IDEE COc1cccc([C@@H]2C[C@@H]2NC(=O)C[C@H]2CN(C(=O)C#CC3CC3)CCS2(=O)=O)c1 1615854034 DWYIRQQBQQPHIH-UFYCRDLUSA-N 430.526 1.096 30 10 IDEE N#CC[C@@H](NC(=O)c1ccc(I)cc1-n1cnnn1)C(F)(F)F 1616999287 ZEOKXRPPGNBGEW-SNVBAGLBSA-N 436.135 1.841 30 10 IDEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)cn1 1617665032 CJUKUDSRTBCDMX-SFHVURJKSA-N 443.577 1.820 30 10 IDEE COC[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619721732 MLVAAIAERZIYME-BZROSYFNSA-N 437.504 1.263 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2C[C@@H]3CCCCN3C2=O)cc1 1622886714 QMSLJPSDQNUGRH-KRWDZBQOSA-N 435.550 1.905 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(Cc2ccccn2)CC1 1632651099 JPYBTBTYNPDXSK-UHFFFAOYSA-N 442.541 1.497 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C(=O)OC 1635158735 JDHWSSAQWIGPTF-DLBZAZTESA-N 436.509 1.929 30 10 IDEE C[C@@]1(C(=O)NCC#CCO)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1639534194 OIQYUURXVJBXDW-NSYGIPOTSA-N 434.492 1.873 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)c1cc[nH]n1 1640629902 OQGLCPVRBJYTRJ-AWEZNQCLSA-N 435.481 1.209 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)CCOc2ccc(Br)cc2)c(=O)n1C 1641325288 FLWKZYLRHWLEGR-UHFFFAOYSA-N 435.278 1.027 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1 1644673244 FFGFILMYUYFROH-INIZCTEOSA-N 430.386 1.924 30 10 IDEE COC(=O)[C@](C)(CCF)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1645430281 MXFBQNVNIJFWJV-IBGZPJMESA-N 427.498 1.693 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)N3CC(Nc4cccc(C#N)c4)C3)cnc21 1647932383 AAZRAPFGKNSENO-UHFFFAOYSA-N 442.277 1.087 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)OC)cc1 1648092246 HBIKQABQLDIKTM-IBGZPJMESA-N 428.466 1.044 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)C1 1648312075 PZFGLTAKPQNTAZ-HXUWFJFHSA-N 436.534 1.439 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Br)ccc(OC)c1F 1653703340 FQLGOOILNDDGGJ-JTQLQIEISA-N 440.312 1.408 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1654037136 WRUAGZJYXSGNCG-GJZGRUSLSA-N 435.491 1.724 30 10 IDEE C[C@]1(C#N)CN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCO1 1672737392 KVMIELBELGGKDP-QFIPXVFZSA-N 427.549 1.682 30 10 IDEE C=CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1678808532 XUTBAOVLJRAYTL-NEPJUHHUSA-N 429.461 1.827 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)C1 1685176793 CVXCZVVJXGXMJU-LJQANCHMSA-N 430.549 1.637 30 10 IDEE CO[C@@]1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CCS(=O)(=O)C1 1685394771 MGJQIFHRXCZAJL-LJQANCHMSA-N 425.482 1.454 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1689964105 GDTFSWIRDFSQOJ-UHFFFAOYSA-N 445.593 1.735 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ncc(C)s1)[C@H]1CCS(=O)(=O)C1 1689989209 BYYPHNYRVLRYLC-UAGQMJEPSA-N 449.602 1.977 30 10 IDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1690071407 UTAZFTNQKLVCLR-NRFANRHFSA-N 427.530 1.446 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C3CC3)c2)CC1 1690112328 VJRFWXWLFFTRCF-QGZVFWFLSA-N 442.589 1.569 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOCC1 1690717457 GRIMPMNFYIGDKE-UHFFFAOYSA-N 428.461 1.984 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690720025 YFEHRLKIORALIY-CABCVRRESA-N 435.506 1.382 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690723950 FBPOUKGPTHDRGO-MSOLQXFVSA-N 439.626 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1690725619 WRUWTTIIGBDKMO-OALUTQOASA-N 438.642 1.436 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1690782938 HNSLHXLOOKHPEI-MBSDFSHPSA-N 435.532 1.600 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1696807928 SDHMNAVUXBHGOF-LJAQVGFWSA-N 449.602 1.989 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(=O)(=O)N(C)C)C[C@@H]21 1698278829 IIZRLAREWXKENT-CEXWTWQISA-N 444.561 1.569 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1698483948 MBUNFKABLNYOBF-HRAATJIYSA-N 428.468 1.526 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2CCS(=O)(=O)CC2)CCO1 1698492332 DWSVFQNBTJSYKR-MRXNPFEDSA-N 449.508 1.550 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705508256 SBAZVDNLKLPREQ-OAHLLOKOSA-N 440.470 1.822 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1705566359 MZODFTFLNDJRKY-AHRSYUTCSA-N 444.557 1.510 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1705624454 BQTDECDIESEYRS-OPAMFIHVSA-N 430.505 1.588 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1705695410 WIWCMZXUNLBMAB-MJGOQNOKSA-N 432.569 1.845 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1705824061 FITJRJQAUBVJSA-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705894481 AHEBRJJUOSNJKR-PONJGIIJSA-N 448.568 1.271 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705895807 SSERVBWYCQFKFG-GASCZTMLSA-N 434.294 1.571 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](N2CCCC2)C1 1705908787 HNDKFVUDDNMGFW-NSHGMRRFSA-N 432.569 1.369 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705925703 SRHCPTRUAVUJHU-OOADYSHXSA-N 442.520 1.480 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC(C)(C)C1 1705930213 IHVHNURPPXUPQA-CQSZACIVSA-N 433.600 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705933066 SRSFQMLSFUIYFO-KRWDZBQOSA-N 438.575 1.559 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@H]1COc2ccccc2O1 1705938971 OFGYFTJYSLWSNN-MRXNPFEDSA-N 430.490 1.869 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1706674895 PFDKADSSHUSKCV-PMACEKPBSA-N 439.582 1.883 30 10 IDEE CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1708694143 HNIVHZYBCXKXCU-AABGKKOBSA-N 432.569 1.648 30 10 IDEE CCN1CCN(CCCCn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 1710296768 JWEDJUDPRAFFQX-UHFFFAOYSA-N 437.596 1.598 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1711085622 NEDXKNRSDYETAR-MSOLQXFVSA-N 437.504 1.668 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722320034 ROYPAYLPXCAIMO-PMACEKPBSA-N 428.581 1.718 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722323933 XZONKZBLQWWOJP-WFXMLNOXSA-N 436.578 1.821 30 10 IDEE C#CCCCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1722339871 ZXNJOBFZGGGMAM-QFIPXVFZSA-N 430.553 1.728 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722367621 NABCLLGDLONHAV-ICSRJNTNSA-N 449.621 1.531 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1722369492 AAUBOOUASADZLD-GOSISDBHSA-N 432.546 1.888 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N(C)C 1722405695 FRZFISPTSMNVJQ-UHFFFAOYSA-N 427.477 1.897 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCc2sccc2C1 1722447435 NHGQMDXSASTJHD-KRWDZBQOSA-N 428.562 1.435 30 10 IDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722463273 WXCYNSRCYAPWSQ-KRWDZBQOSA-N 427.578 1.995 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722534760 RBEFSAABABHQMB-UHFFFAOYSA-N 427.488 1.527 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1722581569 DWGUMZKWFZKZJD-DOTOQJQBSA-N 440.614 1.843 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1722725117 FURQEZZVYHSAOT-UHFFFAOYSA-N 433.534 1.223 30 10 IDEE CC(C)(C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1722961439 HWGZCNLMONMGPO-HNAYVOBHSA-N 442.561 1.879 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1723772127 JUGVIKSMGDJALU-OAHLLOKOSA-N 429.525 1.855 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1724437262 BMQDQXMIBDLSFC-SFHVURJKSA-N 448.549 1.222 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726937710 QNWAOXWOCAXTES-RLBWVDARSA-N 443.552 1.671 30 10 IDEE CCOCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(C#N)o1 1728997271 RXNYNZBVLYUHOQ-JKSUJKDBSA-N 430.509 1.695 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1729566857 LMYVVYCLPSULKI-KBXCAEBGSA-N 435.326 1.936 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)CC1 1731187753 XSSSGERXEQVSOT-UHFFFAOYSA-N 427.553 1.951 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1740542769 BQUVIPUSMQNYBH-OOHXQLJPSA-N 448.483 1.701 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1740574924 OTKNYMPQLRRFDY-KRWDZBQOSA-N 429.550 1.100 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1740628571 RPPXFPNZGCLSCL-GOSISDBHSA-N 432.546 1.888 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1740647144 OMJDBSOHBGPGJQ-QHCPKHFHSA-N 439.516 1.805 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740664145 GERROAQKTKDLLW-QGZVFWFLSA-N 432.506 1.737 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1740967913 UJGCHGXHCWPOEV-QHCPKHFHSA-N 438.532 1.715 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1741112950 DIXIJFNHXOSYNC-HXUWFJFHSA-N 426.521 1.973 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1741287846 NFNWBSPNOUGGSV-MRXNPFEDSA-N 436.582 1.473 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1748672695 WTUBQVXXXSNFJX-YEGXZQIXSA-N 434.587 1.565 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(O)CCS(=O)(=O)CC1 1748779292 DSLMMYXOTPBOJW-UHFFFAOYSA-N 438.937 1.616 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1748801706 DUBRXAUYZGZJKT-LJQANCHMSA-N 443.573 1.778 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 1748987378 VZZLOWLXYHKZDF-QFIPXVFZSA-N 439.951 1.995 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1749020122 MEBHZTSSMLNJNS-UHFFFAOYSA-N 428.566 1.208 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749401601 AMVOXDBKDMODCV-RTBURBONSA-N 437.610 1.695 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749454476 HRUBMOHVJBBXER-QGZVFWFLSA-N 442.524 1.038 30 10 IDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749666164 SOPNGBSWEMLHQR-UHFFFAOYSA-N 434.504 1.830 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCCS2(=O)=O)C1 1749704172 XFTACEUZUROBTR-LJQANCHMSA-N 447.561 1.771 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749731026 ZEODDLJYPDRHEO-OXQOHEQNSA-N 448.549 1.110 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749732423 WLBYDYIUZCWNJF-JKSUJKDBSA-N 441.554 1.050 30 10 IDEE CON(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1750169060 PGYNTFFOOPRFAA-FMQUCBEESA-N 426.477 1.998 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)n1 1751623160 GCLCAPKUWKDZKW-AEFFLSMTSA-N 447.490 1.733 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCOC1 1760121368 VBQRNACKCQBTPO-YKSBVNFPSA-N 438.576 1.252 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1760170508 FVYZIHBMBBGHBJ-UHFFFAOYSA-N 435.488 1.587 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760203184 XTGDBWIIRHCRFB-ZCNNSNEGSA-N 445.589 1.797 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2cccc(Cl)c2)CC1 1760252601 SEJMDZSORCOSSY-UHFFFAOYSA-N 430.940 1.904 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1760284580 OLQLAIXWFYLVKK-UHFFFAOYSA-N 426.546 1.502 30 10 IDEE C#CCSCCn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760286732 SXBOYMZGSYHHOT-GHTZIAJQSA-N 435.594 1.649 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1760306191 DHPALXWTRIXEQP-OLZOCXBDSA-N 434.360 1.508 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760449737 STLLWUNFQVHKCA-MSOLQXFVSA-N 428.541 1.872 30 10 IDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1760455611 UELPLMZVTSDPRQ-NRFANRHFSA-N 449.577 1.831 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)C(C)C 1760488273 QFUXCTHQUUKLDF-HXUWFJFHSA-N 445.612 1.458 30 10 IDEE CC[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1CCOC 1763465089 AIMLJEFPSNASKU-UFVMTTLYSA-N 445.568 1.475 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CC1 1765636119 XYXPOUJACJMTAX-YLJYHZDGSA-N 437.548 1.500 30 10 IDEE CCN(CC)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766561467 SKQOJMVVAFVOIX-AZUAARDMSA-N 443.596 1.997 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1769845704 RYUUPTFZHMOXAK-DLBZAZTESA-N 425.555 1.363 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ncccc1C 1771220313 WENMDZFPYYTFAC-PKOBYXMFSA-N 425.537 1.930 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1772791752 DLKWACGCXFPSAH-ZDUSSCGKSA-N 432.429 1.981 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1772887024 ORHVWGAZHJFXRC-IBGZPJMESA-N 436.513 1.725 30 10 IDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)C1CN(S(=O)(=O)C2CC2)C1 1849433838 MMPJHYMHOYLUBX-UHFFFAOYSA-N 425.308 1.419 30 10 IDEE C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCN(c2cccc(C#N)c2)CC1 1849854523 VOWRTAONHLBPCQ-AWEZNQCLSA-N 434.468 1.852 30 10 IDEE N#Cc1n[nH]c2c1CN(C(=O)C1CCN(Cc3cnnn3-c3ccccc3F)CC1)CC2 1850418814 ALHJMOIKCQPXAO-UHFFFAOYSA-N 434.479 1.798 30 10 IDEE CCNC(=O)N1CCN(CCOC(=O)c2nc(C)c(Br)c(C)c2C#N)CC1 1852137312 OTYFWSNTXDCFKR-UHFFFAOYSA-N 438.326 1.837 30 10 IDEE C=CCN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)[C@H]1CCN(C)C1=O 1852560252 WXZYQZIEGVHQSJ-BBRMVZONSA-N 427.910 1.112 30 10 IDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1854288017 ZRIPALKIZPDNGK-MJGOQNOKSA-N 432.546 1.450 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC(Oc4ccsn4)CC3)C2=O)CC1=O 1854851055 PAMVWPOQFAPYRC-WBVHZDCISA-N 432.546 1.538 30 10 IDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)cc1 1855735138 FZNCIWMKBVPOBG-INIZCTEOSA-N 427.482 1.694 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1856412286 QJIFIOYAYLIRTJ-MJGOQNOKSA-N 432.546 1.593 30 10 IDEE CNC(=O)COc1cn(CCCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870304454 ROPVKXREPDXQSF-UHFFFAOYSA-N 430.530 1.840 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1C[C@@H]1CCCO1 1870543902 WUEMCDXSPAOEAZ-RTWAWAEBSA-N 445.560 1.875 30 10 IDEE COc1ccccc1OCC#CCNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC 1890949383 ITQZNPJABVFWIL-UHFFFAOYSA-N 434.470 1.172 30 10 IDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)c1 1891317258 KWLHHUKNUPXYBI-MRXNPFEDSA-N 440.481 1.415 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2060635364 LEKJLZRRQGPJJF-CBBWQLFWSA-N 440.321 1.857 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#CCN)n1 2164487608 OCBHHQSNUYAWOU-HXUWFJFHSA-N 430.461 1.158 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212241025 VWPZXZJIROZYCX-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N(Cc3ccccc3)C3COC3)c2)OC1(C)C 2247879490 SUUSKDGYTKMSFW-UHFFFAOYSA-N 430.335 1.971 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2255821817 GVSHUQQHYNRZPI-CFVMTHIKSA-N 432.330 1.457 30 10 IDEE CON(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255827396 JIWMVYHSIKOLRM-ZDUSSCGKSA-N 436.318 1.722 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]21 2255828976 HZEFZAQRVNQIKZ-DZGCQCFKSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H](F)C1 2255830189 BJVYZPVCVXHDDC-UONOGXRCSA-N 438.309 1.786 30 10 IDEE Cc1nc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2256902915 CHGGQBHFRTYKKY-UHFFFAOYSA-N 449.338 1.303 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2259345180 DIDYTTKDFPWLBG-UKRRQHHQSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C1CC1 2267013597 MPWRSVDNSIQYFO-HNNXBMFYSA-N 449.357 1.738 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2267097415 OIIIXFKLGIEMKI-YPENRWOSSA-N 448.329 1.263 30 10 IDEE Cn1nc(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267134634 SCYMWALMMNUKSV-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](O)COCc2ccccc2)n1 2267148394 ZDSZXQLTLBDRCN-GOSISDBHSA-N 443.353 1.852 30 10 IDEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)c1cnn(Cc2ccccc2)c1 2267189760 FMEYOEXMQWILRI-OAHLLOKOSA-N 436.325 1.850 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267514032 SNEXCHREPSONRN-GASCZTMLSA-N 446.357 1.943 30 10 IDEE Cn1cc(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267518952 DVEVPOUKMWWCOV-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2334269924 NJIVEKBAEBKGOZ-CWRNSKLLSA-N 446.357 1.940 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C[C@@H](O)COCc2ccccc2)n1C 2337283737 RXXSDEILDPWQNC-GOSISDBHSA-N 443.353 1.677 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)c1 20806264 KILFUDXFEFALLO-UFFVCSGVSA-N 440.489 1.833 30 10 IDEE C/C=C/Cn1c(N/N=C\c2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C 83295344 MXSCJHPJNRHCDG-PQFQENBPSA-N 433.266 1.914 30 10 IDEE C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COP(=O)(O)O 257385509 BGSOJVFOEQLVMH-UZSPEORTSA-N 442.445 1.899 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc21 427003892 BJCWZPQDXUWOTO-UHFFFAOYSA-N 433.443 1.837 30 10 IDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 438743853 KAZFFCLFQGFWIP-RTBURBONSA-N 444.557 1.999 30 10 IDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CCN2CCOCC2)c1=O 440378734 WXWWLVFBPXRMQZ-UHFFFAOYSA-N 449.532 1.529 30 10 IDEE COc1cc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)ccc1C#N 460214033 JYSHFRKVYMIHSS-UHFFFAOYSA-N 432.502 1.179 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 460559127 YXDKBTQBDDVCTM-WBVHZDCISA-N 425.555 1.192 30 10 IDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1OC 460919328 BJVUMVYNEAFHGV-UHFFFAOYSA-N 432.454 1.814 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2ccccn2)n1C[C@H]1CCCO1 461089597 QRRCAZRFTSXXEU-PKOBYXMFSA-N 445.531 1.820 30 10 IDEE CN1CCN(C(=O)CC2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)CC1 462100592 IHIKQLFYIHFFQY-UHFFFAOYSA-N 436.520 1.547 30 10 IDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472211647 TWZRNIGFOKXVOI-UHFFFAOYSA-N 435.481 1.345 30 10 IDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)[C@@H]4CCCOC4)n(C)c3=O)cc2s1 478857687 QAPGVRJVNKJZPJ-CQSZACIVSA-N 425.535 1.864 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 480116612 ZHQSYYDDHLCLQB-IUODEOHRSA-N 433.515 1.311 30 10 IDEE N#CCN1CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CC1 486377780 STMYAGGVLOODBT-CJJLBDBPSA-N 430.508 1.134 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 501241553 BUDQHGDAWUOGAD-KRWDZBQOSA-N 448.951 1.014 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1CS(N)(=O)=O 511100437 IKIBFOWRVGEQII-GFCCVEGCSA-N 446.323 1.378 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CC1 542219819 XCKWTWXOBHXBGR-UHFFFAOYSA-N 439.566 1.767 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)CC2)n1 545466171 ANCUVSXUIGJDGQ-OAQYLSRUSA-N 438.507 1.997 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 566021654 DPEIOCXWVXEMLL-HXUWFJFHSA-N 427.505 1.645 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@@H]1CCCO1 603800428 VUYRAZCNTCPGIN-SFHVURJKSA-N 441.553 1.053 30 10 IDEE CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@@H]3CCCO3)c2=O)c1 603989899 MRSCTMYXFJTLMC-KRWDZBQOSA-N 427.526 1.127 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 609391526 WNNPQKBROBRCJK-UHFFFAOYSA-N 428.836 1.593 30 10 IDEE Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)ccc1S(N)(=O)=O 609911451 IXXMSHAWNBXZSM-MRXNPFEDSA-N 430.511 1.668 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCN1C1CC1 737199330 UMECPVHJGYEMQU-GOSISDBHSA-N 436.472 1.739 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(OC)c(C#N)c2)cc1 747419129 IQCHXUHAOHWTFH-UHFFFAOYSA-N 445.497 1.654 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 761012415 RLZDNJJIUUFXKU-WBVHZDCISA-N 425.493 1.544 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](NC(N)=O)C2)cc1 762947579 NVMCRFKNTJSRMU-UBJVEFMGSA-N 436.538 1.554 30 10 IDEE CN(C)C(=O)CN1C(=O)C(=NNc2ccc(C(=O)O)cn2)c2cc(Br)ccc21 763370214 NRROVPDRNDTNHA-UHFFFAOYSA-N 446.261 1.793 30 10 IDEE CC(C)(C)OC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)cc1 765002474 JEDMPVPOTGORLO-INIZCTEOSA-N 437.521 1.928 30 10 IDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3OC)CC(=O)N2C)cc1 766980921 BTVZWPPGKSHJOL-JXFKEZNVSA-N 443.481 1.600 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(CC)CC)n(C[C@H]3CCCO3)c2=O)cn1 772280038 UFMQBMHCFXLKGF-QGZVFWFLSA-N 426.542 1.894 30 10 IDEE CS(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C(F)(F)F 772432374 VKXQGWPQYXZWCP-CQSZACIVSA-N 430.452 1.991 30 10 IDEE COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 781538136 RYNMBBJLTNCKER-UHFFFAOYSA-N 427.413 1.626 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)c(C)o1 794578447 CAZZHEORSKUZBA-AEFFLSMTSA-N 442.537 1.797 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cnn(C)n2)C1=O 807929671 LWEJVOLIHLVMTI-MRXNPFEDSA-N 433.513 1.154 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 809926903 VQWBHOVLZMPMMQ-GOSISDBHSA-N 433.509 1.576 30 10 IDEE C=CCN1CC[C@H](OC(=O)[C@@H]2[C@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]32)C1=O 811362726 FORSBYNFXGBBNI-VSEBHHSRSA-N 446.503 1.796 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(OC)ccc3O)n2)o1 1084403723 UGQUYGQNSZITLG-UHFFFAOYSA-N 432.466 1.319 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1130625822 FDUXPONRMPWAEI-UHFFFAOYSA-N 436.468 1.633 30 10 IDEE Cc1ccc(S(=O)(=O)C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCCC2)cc1 1134428753 AEKDVABVTHDDJA-QFBILLFUSA-N 436.555 1.478 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(C#N)c3N)c2)CC1 1149986220 RWPKWYIMKDZMLK-UHFFFAOYSA-N 445.476 1.385 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159489303 AACFBPIESKLNRO-VFNWGFHPSA-N 431.493 1.677 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286357650 XSHUICWDCYNBCT-SFHVURJKSA-N 435.525 1.928 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1286362914 HDNHUTJNQPKEQJ-HSZRJFAPSA-N 443.523 1.886 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286390559 AVQYSCUSQTYHDV-QZTJIDSGSA-N 436.578 1.758 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1286415750 LLKNDGZSAVWOEC-INIZCTEOSA-N 445.570 1.310 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)nc2)CC1 1286489754 AUWXELJNPFZNJJ-MRXNPFEDSA-N 441.923 1.292 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC)CC1 1286490499 MFHRGAZUGNLDFU-UHFFFAOYSA-N 443.577 1.614 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1286507521 ACRGYSYRWPOCPJ-MRXNPFEDSA-N 439.541 1.881 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286511704 NPOZTDBHZBWORK-SFHVURJKSA-N 446.602 1.133 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(S(=O)(=O)NC)c1 1286523196 WRWRINKIUSCMDX-LAUBAEHRSA-N 442.545 1.178 30 10 IDEE C=C(C)COCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286613914 ILMXMRNPVRLVAD-QFBILLFUSA-N 428.555 1.146 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286709646 AHPYKYRHBOVQJB-SFHVURJKSA-N 432.569 1.905 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286791740 BACXXRKUMOICCD-UHFFFAOYSA-N 444.511 1.603 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1nccs1 1286819522 NDMKFDIEZZJMJO-KBPBESRZSA-N 438.579 1.526 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCCOCC1 1286821734 TZKMOKJUORKWPM-UHFFFAOYSA-N 426.489 1.975 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1286958999 CLRWQAMFKMCCQL-CVEARBPZSA-N 444.565 1.924 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1288524330 BTQYWLVRXSNBTP-UONOGXRCSA-N 436.563 1.410 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)[C@H](C#N)C1 1296165458 ANFXPABVVVHCTK-ZYHUDNBSSA-N 430.383 1.947 30 10 IDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1298266099 DGTXHMPIHXSSHL-UHFFFAOYSA-N 439.490 1.303 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1300273778 RWFOHPPHPQRLGW-JKSUJKDBSA-N 430.578 1.777 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1300482813 HHOQAPOUAYWYJK-HOTGVXAUSA-N 433.534 1.441 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(CC)cc1 1300631837 WSWYQIHTQCGITD-FQEVSTJZSA-N 445.589 1.876 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300729122 NOIJJTINRPVTEZ-UHFFFAOYSA-N 447.605 1.554 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1300768456 RNQLOKSGRPCSQR-OAHLLOKOSA-N 431.522 1.036 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1301019141 HJJUCESLZYMBBN-CQSZACIVSA-N 438.941 1.260 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301448887 GSJLMBYCZSVLRB-QVKFZJNVSA-N 426.525 1.320 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1301479132 UNTRDDXPWNYYJK-MRXNPFEDSA-N 440.504 1.449 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C2(CC2)C1 1305569132 CVEHJLQVOPEPEI-KRWDZBQOSA-N 433.530 1.989 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ncc(C#N)cc2F)CC1 1306938222 KGYOOLUNCKIBJV-UHFFFAOYSA-N 438.506 1.315 30 10 IDEE COc1ccc(-c2nc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)sc2C)cc1 1308099651 IZQPEFHAFUGMCH-YWZLYKJASA-N 446.554 1.936 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3ccc(N4CCNC4=O)cc3)CC2)c1C#N 1312905278 GGWXRZQXBATADP-HNNXBMFYSA-N 436.520 1.723 30 10 IDEE CCN1CCN([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1313925919 BXLHUZDRLRIMER-IRLDBZIGSA-N 437.592 1.818 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1314388312 ITXLNVJTMJJCCD-JOCHJYFZSA-N 441.511 1.630 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1314540411 GSAWPTNOSVESNT-HNNXBMFYSA-N 436.513 1.485 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 1314922609 FYDAJFRTFCAAOO-QFBILLFUSA-N 436.438 1.651 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cnccc1OC 1316205846 IPLBDBNWNMZLER-VQIMIIECSA-N 441.536 1.631 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(=O)(=O)CC 1358891723 LJCFRDVGOBBKSN-CQSZACIVSA-N 425.505 1.934 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1358913233 JATYUPNPGACLQM-INIZCTEOSA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(F)(F)CO1 1358976217 VLUYJLGDOYNUOD-OAHLLOKOSA-N 448.499 1.735 30 10 IDEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359026278 QOPCJRUQGRVCJX-RTBURBONSA-N 435.594 1.521 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCOCC2)CC1 1359032329 KNIYCRMLFCWADN-UHFFFAOYSA-N 445.951 1.904 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)C(C)C)CC1 1359165806 XHRGFVMWHWPEQY-SFHVURJKSA-N 440.614 1.498 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CCC 1359240680 VJMIRIPAPNRCFL-MSOLQXFVSA-N 440.614 1.498 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cc[nH]n1 1359262870 HZTXLMPVNDDTIZ-HNNXBMFYSA-N 440.533 1.636 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1359854475 VBABAKPQMFCUEX-HTAPYJJXSA-N 425.537 1.610 30 10 IDEE COc1cc(C(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)ccc1C#N 1435163541 XTPUZVZPYOTVNV-UHFFFAOYSA-N 443.481 1.503 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(CNC(=O)c4cccs4)cc3)C2)c(=O)nc1O 1457200772 XMLVUGOSQRNXNI-UHFFFAOYSA-N 435.465 1.509 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@H]32)n(Cc2ccco2)c1C 1460674218 KCSPGDDWDQOCPC-QUCCMNQESA-N 425.489 1.536 30 10 IDEE C#CCN(C(=O)Nc1ccn(CC(=O)N(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1465484980 CVHFSJSYMRAJDU-UHFFFAOYSA-N 432.525 1.838 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC4=C(CCC(=O)N4)C3)CC2)cc1 1470067235 SADZTZAMBKJPMC-UHFFFAOYSA-N 428.514 1.355 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1478488969 PSYXGRJGOCEOOS-UHFFFAOYSA-N 439.509 1.852 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN(C)CC(F)(F)F)CC2)c1C#N 1492727611 AASLFIPXKKAQNY-UHFFFAOYSA-N 425.463 1.321 30 10 IDEE CCOCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1503029627 HIBGNQRUNCLXBL-VHJGWARJSA-N 431.541 1.260 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1503807041 MUOLBUFDNGYGPM-SFHVURJKSA-N 428.493 1.107 30 10 IDEE COCCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1504919136 YNWFWHKZJXSQBE-BSBNDGSWSA-N 443.552 1.229 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1507525531 HILVGZVUSHIOMY-HZPDHXFCSA-N 430.530 1.999 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC[S@](=O)CC 1507544295 ZWOAAALPASBAKQ-PKHCJMHPSA-N 442.633 1.869 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507564603 TUHJQSSYWNDVTQ-AWEZNQCLSA-N 434.484 1.877 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1507610612 GRWBVTOSPHLKLX-UHFFFAOYSA-N 449.515 1.977 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507635386 SDYXFTNTEJSCHC-SFHVURJKSA-N 431.562 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1507655760 OISUXPWCVIKHBW-DEOSSOPVSA-N 433.512 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(S(C)(=O)=O)cc1 1507658561 MIGNATSJOOAWSB-UHFFFAOYSA-N 427.530 1.331 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1507755133 ROEZGEGDJBLYGG-HNNXBMFYSA-N 434.566 1.653 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1508062493 GHWHAMCGSANBEG-LAUBAEHRSA-N 426.569 1.839 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1cccc(C)c1 1508073916 ZHTQARNVKIROOP-UHFFFAOYSA-N 426.521 1.640 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508079611 AKNLSMAJROLGLV-KRWDZBQOSA-N 425.537 1.773 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098766 RLRGENIMVFFXKZ-JTSKRJEESA-N 435.569 1.872 30 10 IDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)COCCO1 1510358619 XNZIFRXDSUEVDS-QFIPXVFZSA-N 440.504 1.236 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1512403815 GLRPHMRTILCVHS-GAJHUEQPSA-N 438.532 1.973 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1515998450 FMLXSAFNBQQGNS-UHFFFAOYSA-N 434.504 1.035 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1517437463 ZVTHXAYOWGFORZ-AEFFLSMTSA-N 435.532 1.551 30 10 IDEE COCCCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1519055240 YDFLNPVVTDMYBF-GOSISDBHSA-N 445.545 1.372 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3(C(=O)NCC4CC4)CCCC3)C2=O)cc1 1531432743 RVWNMDCNOJANAF-GOSISDBHSA-N 437.500 1.718 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1 1532427446 FGKLXLJZYVSYTE-UHFFFAOYSA-N 429.502 1.455 30 10 IDEE CN(C)c1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)N(C)C)cc1 1539236558 VELSOLHERCRFBS-NRFANRHFSA-N 443.573 1.977 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1539239723 PXTAZCJOOVSNRV-HOTGVXAUSA-N 433.509 1.568 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1539396094 KOFQYZSLTHGECI-UHFFFAOYSA-N 442.911 1.124 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)c2ccccc2)CC1 1539431564 SPPHTVPZLVYJTI-SFHVURJKSA-N 428.562 1.357 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCN(CC)CC1 1539541151 AXCXEQQTJIIFSL-RPWUZVMVSA-N 444.624 1.950 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCNS(C)(=O)=O 1539632593 SKUZATKYBZCEJA-IKGGRYGDSA-N 427.571 1.486 30 10 IDEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C(N)=O)C1 1539982555 YELKVFGPMBHNNM-OAHLLOKOSA-N 431.566 1.824 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540865228 YOQMESIMMAYBOW-OAQYLSRUSA-N 448.474 1.811 30 10 IDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)[C@H](C)C1=O 1541565938 ICGARUISSDDIHX-QGZVFWFLSA-N 438.532 1.947 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(=O)(=O)CC)CCOC1 1547888003 DMSCPKHMTRVGNM-IBGZPJMESA-N 425.555 1.495 30 10 IDEE CC[S@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1552416904 OUFUZNRENPQVAX-SRGMZFCMSA-N 441.355 1.543 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1552724511 DXZSMJRXKKEOBO-LJQANCHMSA-N 441.511 1.945 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1554165033 GIKGYGZLLRMRDK-SFHVURJKSA-N 442.545 1.214 30 10 IDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC2COC(C)(C)OC2)C1 1554355948 CUTGSKQNXLRMIH-HSZRJFAPSA-N 440.548 1.719 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@@H]2CO)CC1=O 1554361428 KVFIVWYHTDAFFG-HXUWFJFHSA-N 437.548 1.332 30 10 IDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)C1 1558328852 GLIVSNXKQDVBQE-LVVKNKJBSA-N 435.615 1.912 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)c1 1565223244 LKVKFNZUZMNONM-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c(CCO)c2=O)n1 1567154183 BVJAMGJQEJUVRC-UHFFFAOYSA-N 444.495 1.908 30 10 IDEE C=CCC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(=O)OCC 1569186383 APPIPVNQODGNBK-HNNXBMFYSA-N 444.575 1.769 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588024994 QYOZRBDISYMLKU-QZTJIDSGSA-N 431.562 1.497 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588035323 RNPDRKUHTRAQKA-FVJLSDCUSA-N 436.578 1.603 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1588128374 JGQMNSZHZNBBGB-IBGZPJMESA-N 434.500 1.303 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCc3nccn3C2)CC1 1588750745 FEXIQNSRWWIZJF-MOPGFXCFSA-N 427.553 1.216 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2c(OC)cc(OC)cc2OC)CC1 1588890719 FDFHUFAXKUENOS-UHFFFAOYSA-N 441.532 1.821 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1594013599 ITLYSNFBSHPCRV-MSOLQXFVSA-N 439.630 1.071 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1595823273 MRIBEKYRFZASHT-MRXNPFEDSA-N 433.534 1.078 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1595831501 RAWPSVMVWUOOND-IAGOWNOFSA-N 425.555 1.083 30 10 IDEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C 1611535892 HPPJLHUPKFZJTB-GOSISDBHSA-N 433.564 1.823 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)COCCO1 1616937408 WISRIHZYYMCGBD-HSZRJFAPSA-N 440.548 1.814 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1617174273 JLIXXJSRJBZHGU-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE CN(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1617698730 RZZVZHFYSDBHLT-UHFFFAOYSA-N 425.537 1.600 30 10 IDEE CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2)CC1)C(F)(F)F 1624644460 AYAFKLLASQBROI-HNNXBMFYSA-N 433.456 1.212 30 10 IDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)c1ccccc1 1636556560 DDPJNAYGXNJWDA-FQEVSTJZSA-N 425.510 1.932 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 1637297440 BDNIWLUSSIRJHZ-OAQYLSRUSA-N 426.538 1.633 30 10 IDEE CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1639961751 HDYBCHQCTJPFRA-IRLDBZIGSA-N 443.525 1.505 30 10 IDEE Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1B1OC(C)(C)C(C)(C)O1 1641669570 FKDDSYYJDRTYMR-XMMPIXPASA-N 444.381 1.640 30 10 IDEE N#Cc1cn(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2Br)c(=O)nc1O 1641970244 DHOPPQGYAHEEKR-UHFFFAOYSA-N 447.224 1.338 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](Nc2ncccn2)C1 1643608829 CCJJYLUKMYMAIG-RDJZCZTQSA-N 442.545 1.643 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 1644205961 OQPPGIGISKQHAC-UHFFFAOYSA-N 436.534 1.497 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)cc1 1645030892 BISMTYCJACMLHP-INIZCTEOSA-N 442.497 1.072 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1645679186 IDNMAXHYSDUZAN-LLVKDONJSA-N 431.964 1.196 30 10 IDEE CCOC(=O)C1([C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 1648075113 SWWUYYGYZQVYBM-HUUCEWRRSA-N 437.518 1.090 30 10 IDEE COc1cc(/C=C/C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(Br)c1O 1653068881 GVJHLQVWWMBAKW-ITRZJLQHSA-N 441.303 1.573 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3ncns3)CC2)CC1 1654490863 FQLWUXCVPJIANG-SFHVURJKSA-N 429.525 1.208 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNC(=O)CCCc1ccccc1 1682171006 WIYFRXROCRVNJO-GOSISDBHSA-N 435.532 1.707 30 10 IDEE C#CCN(C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1684108209 YORKDJWBNGEEAR-LSDHHAIUSA-N 449.520 1.711 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)C1 1686054798 DJFFVBKOSKDJSR-WNRNVDISSA-N 442.520 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3Cc4ccc(C#N)cc4C3)CC2=O)C1 1687781893 DMUKPHAIIHYITO-KRWDZBQOSA-N 425.489 1.804 30 10 IDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689924817 UXDIRXZJJXSAKK-NRFANRHFSA-N 433.516 1.886 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1690060900 LVSIIYUILQFCHS-FQEVSTJZSA-N 426.583 1.992 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690676366 XUUVCFHVHALWNG-QFIPXVFZSA-N 440.504 1.027 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1694419624 GZZIOZHNSDDFOQ-SJORKVTESA-N 440.552 1.710 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(NC(C)=O)c2)CCOC1 1696085041 CLUONYYSPQFXLL-KNQAVFIVSA-N 440.504 1.666 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705558559 BDONKXXWJKLUMW-QGZVFWFLSA-N 433.578 1.721 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705568303 KKNFZIZASOHKKP-KRWDZBQOSA-N 443.529 1.126 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1705580431 JBHDVQWUTMJEEQ-QFIPXVFZSA-N 434.525 1.133 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1C 1705628473 HYZJKHSUBPQIKS-SFHVURJKSA-N 434.537 1.956 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705717114 COQHLTSFWFEUAO-GOSISDBHSA-N 426.521 1.448 30 10 IDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC(C)C)C1CC1 1705852718 BWSHHPJYHHGFPM-UHFFFAOYSA-N 436.538 1.488 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1 1705857198 BIVRHXVOTCISCH-HSZRJFAPSA-N 436.516 1.730 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(OC)c(OC)cc1C 1705900586 JAJCKCWQKPEMPH-UHFFFAOYSA-N 439.520 1.943 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C(C)(C)C 1706878768 GTDDCCYVCGTDKO-KUHUBIRLSA-N 439.586 1.181 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(F)c1F 1706889273 FEEBBQXCJRLZCV-GXTWGEPZSA-N 440.476 1.138 30 10 IDEE CC[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708846234 XMMYPNWBILHJRP-HUOLPKJOSA-N 427.509 1.382 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1710002182 JLBFNWNGFYIZHC-UHFFFAOYSA-N 442.524 1.513 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@@H]1C 1711472792 UYDGDNLJBULETF-HNNXBMFYSA-N 446.533 1.528 30 10 IDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCOC1 1711624082 GXOBFAQAAHSVBI-XLIONFOSSA-N 431.518 1.246 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1OC 1711756317 CUMVEMJJASVYOS-GCKMJXCFSA-N 431.468 1.944 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1712319497 RQONJQJTLCICMQ-WWMYMODYSA-N 427.461 1.718 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(=O)NCCC)c1 1722309242 LXQQUDVFDCXESI-UHFFFAOYSA-N 432.488 1.318 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1722324288 ONJJBBQGWSJCQI-QFBILLFUSA-N 447.561 1.888 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1nc(C)cs1 1722352732 PKWVESIXYZUZGO-ZFWWWQNUSA-N 438.579 1.249 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1722360702 IVBPOXGNBMECJA-MRXNPFEDSA-N 430.534 1.179 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1722364767 AINHGRUCPBDMPJ-SJLPKXTDSA-N 449.533 1.329 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722367174 VHFVLLQQYHUSCA-RSJDLPBQSA-N 428.624 1.966 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(CC)CC1 1722388121 VOSAFIJGMKJVKJ-FQEVSTJZSA-N 425.581 1.003 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1722390613 SQIVAVUSYBSPEG-KRWDZBQOSA-N 429.546 1.603 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722390890 WVVCZHDGTNQTBU-SFHVURJKSA-N 441.557 1.698 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1722423221 YAGPRBCZMBGCGB-GOSISDBHSA-N 427.480 1.550 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCC(O)CC2)CC1 1722434599 WIBVOFAXBQISTM-UHFFFAOYSA-N 438.576 1.556 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1722448146 NPDXFIDNRFRGLG-IRXDYDNUSA-N 446.552 1.715 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2cccn2)CC1 1722448693 XJZXPVXJUKBVLB-LJQANCHMSA-N 425.537 1.772 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722452795 KWHKBLSVXHZRKV-SFHVURJKSA-N 432.594 1.182 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)CC1 1722504708 OROWFJIVNKRTFA-RXVVDRJESA-N 432.569 1.150 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722697336 HZJCQQGACGBBJZ-UHFFFAOYSA-N 438.536 1.370 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722702415 JORYZBOPDJYHCV-WBTNSWJXSA-N 433.509 1.613 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H]2CCSC2)nnc1[C@@]1(OC(C)C)CCOC1 1722731533 NAZWNYSHXVKXML-QFBILLFUSA-N 444.623 1.861 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722735765 PEVHPNFMQZNKOL-UHFFFAOYSA-N 441.561 1.187 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722736965 OIZDVUFAFDQUBA-LPHOPBHVSA-N 428.555 1.145 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722867547 GWVQLNIVPYFFGB-GJZGRUSLSA-N 432.554 1.142 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1740620773 RIMWCLKDWPTHNT-INIZCTEOSA-N 445.936 1.402 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1740622385 CGMWSDGROOAYGO-IBGZPJMESA-N 441.557 1.580 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1740660237 KTFHVFQPLJFYMQ-UHFFFAOYSA-N 438.532 1.856 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740960109 LIYHCXHRMVFQHQ-GJYPPUQNSA-N 443.504 1.333 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1C(C)(C)C 1740995769 WZWYQPZTBKWXBG-UHFFFAOYSA-N 447.609 1.910 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H](C)OC)CCOC1 1746728973 QCLXMLUTDNHBSK-VGSWGCGISA-N 441.536 1.558 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnc2c(Cl)cnn2c1 1748671664 MEKSYPLIFDUBJR-ZFWWWQNUSA-N 447.952 1.577 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1748756398 LFFHRRYPGHPTGA-UHFFFAOYSA-N 435.576 1.812 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1748929477 KBXPKLFTRBSVJV-ABHNRTSZSA-N 439.582 1.276 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1748999092 HZNJCVBJKWNZRG-XXBNENTESA-N 425.533 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N(CC)CC)CC1 1749010556 SKKOHSMYLSKALM-ICSRJNTNSA-N 430.597 1.868 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1749023023 OXKIZXLJCNUADW-DOTOQJQBSA-N 441.623 1.508 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749268514 BZHFVIUJZRNCKC-HOTGVXAUSA-N 432.974 1.955 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1749368903 SZYMAIMMVLOAAZ-CVEARBPZSA-N 427.571 1.438 30 10 IDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1749424800 OUASSCJYACRYLY-UHFFFAOYSA-N 428.518 1.393 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749456708 KNJYZTBGGLGDNY-MSOLQXFVSA-N 446.552 1.531 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749456963 CDTWYEVQOYKLDQ-MBOZVWFJSA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](OCC(C)C)C1 1749651439 VMQXETLNEJEDSY-INIZCTEOSA-N 427.509 1.479 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749773043 MMYIIYMOVYIKTM-QZTJIDSGSA-N 426.477 1.509 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2C)CCO1 1750012572 BGZTZRZAAVVDMI-HXUWFJFHSA-N 431.500 1.910 30 10 IDEE CS[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1750238842 GLXDRCAPOOSGKX-VKJFTORMSA-N 442.611 1.493 30 10 IDEE C[C@H]1N(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1752437800 LBBGSRSOCRKMBB-UDJKBAMHSA-N 439.520 1.814 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCOC2)c1 1760128415 HPDWYSDUULOGBI-MBSDFSHPSA-N 439.516 1.380 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1760136913 DACFOULFLHKDED-MSOLQXFVSA-N 439.582 1.277 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 1760155500 ZTVPKPJGTGKQFJ-IBGZPJMESA-N 431.562 1.969 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1760188816 QIRSBJMFIRQKHG-QZTJIDSGSA-N 436.578 1.963 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCN1CCOC[C@@H]1C 1760239938 BGUQZFGQRAZOMO-SFHVURJKSA-N 442.539 1.916 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)CC 1760243137 CSLZYTUZVOGWDB-UHFFFAOYSA-N 426.496 1.658 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC[C@H]2COCCO2)n1 1760253483 ZLJIOJGRYLOXPR-IBGZPJMESA-N 430.553 1.864 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760345460 BWIWIKWYUVPKAM-ZWKOTPCHSA-N 439.582 1.379 30 10 IDEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760428057 ODWXVBDJDWYAOG-FQEVSTJZSA-N 446.596 1.509 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1760516379 LXZBMBAEFDWGNI-JKSUJKDBSA-N 438.540 1.247 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760519703 MOGAMMPOOVPYJC-NRFANRHFSA-N 440.529 1.134 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760525100 UEWNEMVAGDUDOX-GOSISDBHSA-N 426.496 1.511 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1760692655 BYFAGRNKAIHQOQ-LPHOPBHVSA-N 425.537 1.814 30 10 IDEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1763007112 WJFZFLWDZHEBPJ-VKJFTORMSA-N 437.504 1.952 30 10 IDEE COC1(C(F)(F)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1768149863 FMHDWAJWUVHVHK-KRWDZBQOSA-N 448.474 1.824 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769096204 FJCCDCDEDAYLIJ-UHFFFAOYSA-N 434.504 1.591 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1769160784 VNTMUOYAGNCXKZ-HSZRJFAPSA-N 447.499 1.689 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1769547753 AYZYMYFPFRGBHX-HSZRJFAPSA-N 440.548 1.957 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1770756506 HPJAPXVFORYXIA-INIZCTEOSA-N 434.566 1.356 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 1852830023 BIZAHUWTTHYCED-SIKLNZKXSA-N 441.528 1.972 30 10 IDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)c1 1855724019 SGQPXIGZGVVHTA-OAHLLOKOSA-N 427.482 1.558 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@H](N3CCCN(C4COC4)CC3)C2=O)c1 1855830723 BSUYNQHWQRUPJI-FQEVSTJZSA-N 430.936 1.944 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855869945 KFSXHTWBBHUKTH-KRWDZBQOSA-N 433.530 1.470 30 10 IDEE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccccc1C#N 1866608258 FKYLDIHEALPTFH-HNNXBMFYSA-N 447.495 1.863 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC)cn1CCCN1CCOCC1 1870694547 IDHWJRKCFSAMGT-UHFFFAOYSA-N 433.549 1.687 30 10 IDEE C#CCOc1cn(CCCN(CC)CC)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871006025 LQUYWCAEQIKACP-UHFFFAOYSA-N 446.573 1.852 30 10 IDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873562705 PARAMJKDJOWJJY-UHFFFAOYSA-N 436.491 1.900 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1891854814 HLBIANZAVMNMGU-UHFFFAOYSA-N 426.498 1.889 30 10 IDEE C[C@@H](C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1)N(c1ccccc1)S(C)(=O)=O 1892191665 HZOOWWUVQLLKHJ-DOTOQJQBSA-N 429.502 1.573 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(Br)c(C#N)c2)[C@H](O)C1 2197483105 TZXLRPIJZKJNAJ-RDTXWAMCSA-N 440.294 1.992 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248441584 GVBPBLMUSPGVFJ-UHFFFAOYSA-N 436.343 1.811 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2255528751 DRJOOTAUUXQYNL-UHFFFAOYSA-N 430.207 1.875 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1 2255541701 GNOVAIWBBAIYKP-UHFFFAOYSA-N 428.216 1.497 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CC[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255624995 LAAZRHMAQNXOFZ-UONOGXRCSA-N 434.346 1.752 30 10 IDEE Cc1nc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2255641835 WZRZVWHFHJECDG-WDEREUQCSA-N 445.272 1.738 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255646243 UYWDAIUPEUDLEN-NRFANRHFSA-N 432.330 1.905 30 10 IDEE CO[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@H]1NC(=O)OC(C)(C)C 2255703559 ULEJSKNSTDCOJH-HZPDHXFCSA-N 435.330 1.678 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255825679 DEIPNAOZGHRHJS-ZSEKCTLFSA-N 432.330 1.459 30 10 IDEE C[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255826553 BLKVXVMXXFLMTB-CMPLNLGQSA-N 430.236 1.238 30 10 IDEE Cc1c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832419 LTMCUDVBOZLOFT-CQSZACIVSA-N 434.346 1.767 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1 2255838285 CYSGSODXLICVQY-CYBMUJFWSA-N 433.318 1.020 30 10 IDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2O)C1 2255957199 MNWZVBXRPAJQAI-UHFFFAOYSA-N 434.298 1.972 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256936852 BRYNSWIWXSNOOP-MRXNPFEDSA-N 445.350 1.757 30 10 IDEE Cc1c(C(=O)N(C)CC2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2266990079 NAYNTOBXJCEVLB-UHFFFAOYSA-N 448.373 1.967 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267265316 DLJKSENWELDJFD-UONOGXRCSA-N 449.361 1.584 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)n1 2267503076 XNRMAMOOHNJHPE-RTBURBONSA-N 441.337 1.823 30 10 IDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)C1CC2(C1)OCCO2 2277953677 AJZWTIDJVKNACH-UHFFFAOYSA-N 429.369 1.714 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2312974583 YKBRJQBEPRPCOF-XUWVNRHRSA-N 438.330 1.164 30 10 IDEE CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)S1(=O)=O 2349787805 RWQCSINFSHWRCL-UHFFFAOYSA-N 431.161 1.741 30 10 IDEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc1OC 21317229 LPNLRMMAUKKBOG-WSDLNYQXSA-N 445.505 1.847 30 10 IDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1cccc([N+](=O)[O-])c1)n2C[C@@H](O)c1ccccc1 33615169 XTCWTEIHHIPWMK-CNPYVQQSSA-N 449.427 1.511 30 10 IDEE CCCC[C@@H]1Nc2ncnc(N3CCN(CCO)CC3)c2N(Cc2cccc(C#N)c2)C1=O 248294508 VZOZQKMAQOOSKV-FQEVSTJZSA-N 449.559 1.980 30 10 IDEE O=S(=O)(c1ccc(NC(=S)NN=Cc2ccc(O)c(O)c2)cc1)N1CCOCC1 254480696 FLKYYFFVVLRAKH-UHFFFAOYSA-N 436.515 1.439 30 10 IDEE CCCC(=O)O[C@]12[C@H](O)[C@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(CO)=C[C@@H]3[C@@H]1C2(C)C 256078470 FZXHDWWEDNRATG-JXLCJZASSA-N 434.529 1.281 30 10 IDEE C[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)sc2C1 435319533 MASUDSSGDPUPMO-CXAGYDPISA-N 437.525 1.995 30 10 IDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462110768 VZHQXBSDVWHCOF-UHFFFAOYSA-N 447.521 1.043 30 10 IDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473446488 CJMREYJXCZTSEJ-NVXWUHKLSA-N 433.873 1.917 30 10 IDEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476801843 GPFJAMVGHTUDFI-WMLDXEAASA-N 430.530 1.773 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)CC1 498513558 IYFZFTZVISYMAE-GGAORHGYSA-N 441.576 1.602 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(-c2ccc(F)cc2)c1=O 502055881 HKJFWEIJHWMICO-UHFFFAOYSA-N 449.467 1.184 30 10 IDEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 503330283 GANUNIDOSAYFOV-HDICACEKSA-N 448.527 1.854 30 10 IDEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1cnc(N(C)C)nc1 506012446 KOCZBUXVBCLBFP-FQEVSTJZSA-N 425.512 1.523 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ncc(CC)s1 508823746 FLZHFZMVBYTBKX-CQSZACIVSA-N 426.568 1.452 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 517521491 AHRLSMFCIMKJNB-UHFFFAOYSA-N 428.581 1.749 30 10 IDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 543869557 YLSYCUAIUZKXGU-UHFFFAOYSA-N 426.494 1.354 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)CC1 544328135 FVMKKLOTHINGLQ-UHFFFAOYSA-N 430.484 1.438 30 10 IDEE Cc1nn(CC(F)F)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 544833003 AISRZUGNBMWZCF-UHFFFAOYSA-N 437.472 1.783 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4COCCO4)n3Cc3ccccc3)CC2)c1C#N 549505120 DOUOACNBTRSQHN-FQEVSTJZSA-N 448.531 1.655 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2)CC1 549545425 SWJFSKRPFWLEFB-UHFFFAOYSA-N 431.544 1.736 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCOC2)CC1 555518926 OJKJQDUEVZKDKP-GOSISDBHSA-N 442.539 1.469 30 10 IDEE CN(C)C[C@]1(O)CCCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 618924581 ZQBIBIHALAZHJB-JOCHJYFZSA-N 427.505 1.938 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 726574168 BEFMJGRFNBVFDA-CJNGLKHVSA-N 428.558 1.557 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729671502 JINJENSDABXYFX-UHFFFAOYSA-N 448.479 1.729 30 10 IDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 731862358 DUQFEESWHVHOTA-AFUCRDJGSA-N 432.864 1.344 30 10 IDEE CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 731974656 BYMIQUXFTVVTAI-UQNOGROGSA-N 441.513 1.906 30 10 IDEE CCN1CCN(Cc2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 732445705 CHLJLWGVRIKQRV-DQRAZIAOSA-N 440.548 1.150 30 10 IDEE COC(=O)[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)c1ccc(C#N)cc1 740235928 FSKZUYKZBZHWDI-GBESFXJTSA-N 426.400 1.730 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Br)c1 742295828 PZEIOHYHHGRTDP-CYBMUJFWSA-N 428.308 1.597 30 10 IDEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742393975 XPNJFWUGJGKBSC-AWEZNQCLSA-N 431.493 1.494 30 10 IDEE COc1ccc(CNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1C#N 747301223 OAKQBYIYPPZFPM-UHFFFAOYSA-N 444.517 1.365 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 749312836 GPLUSQGDYHUJOL-AWEZNQCLSA-N 443.547 1.614 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)OCC)ccc1F 759483146 FNEFTIHBZJOZSU-KRWDZBQOSA-N 435.477 1.589 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccccc3S(=O)(=O)C(F)F)CC2)n1 760913843 WHWAZVYWRGQXSW-UHFFFAOYSA-N 435.456 1.710 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ccn(C)n1 765543797 KBDHGUKBYGMJDD-GOSISDBHSA-N 428.562 1.928 30 10 IDEE Cn1cnc2c1c(=O)n(CCCOC(=O)C(C)(C)Oc1ccc(C#N)cc1)c(=O)n2C 767634824 TWSVQDZTIBUSBN-UHFFFAOYSA-N 425.445 1.096 30 10 IDEE Cn1cc(-c2noc(CCCCC/N=C3/NS(=O)(=O)c4ccccc43)n2)ccc1=O 771463645 OTPCKDBEKLMJJY-UHFFFAOYSA-N 427.486 1.887 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(SC)CC2)cn1 788411152 XLZBHCSBUKGQLK-HNNXBMFYSA-N 438.623 1.798 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 820184748 DDJMKMRFRSZCGK-SECBINFHSA-N 434.172 1.769 30 10 IDEE N#CCOc1cccc(CC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1146192604 DYHOVRVEVFNMCG-UHFFFAOYSA-N 428.514 1.310 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1157759688 CTFNIDRUUVESQW-SYQHCUMBSA-N 441.406 1.277 30 10 IDEE C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1227458566 DCFAVKCBFGXGQB-XLPNERPQSA-N 426.539 1.354 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1286296896 SJKPLPRLIYXNFB-DLBZAZTESA-N 448.568 1.913 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1286321793 BBZOTCNHNHFLCS-SFHVURJKSA-N 429.546 1.719 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1286334783 BAOJQWJSBSQVTK-UHFFFAOYSA-N 436.582 1.226 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1286380285 GPHANACJXCMVPG-GOSISDBHSA-N 429.546 1.400 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 1286384411 QMQPLNRIXCCKKF-QGZVFWFLSA-N 447.948 1.527 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286393112 KBYFYDIQDMARIM-RTBURBONSA-N 444.557 1.796 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286396364 PNGMHNGEMCRALD-CRAIPNDOSA-N 434.566 1.049 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 1286415137 KRZBRKRRPZXXEA-PMACEKPBSA-N 428.581 1.101 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1286456545 RXEOFQALWJVQPM-YLJYHZDGSA-N 440.523 1.729 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2(C)CCC2)n1 1286471347 LIZPNKGQVASIQX-SFHVURJKSA-N 425.537 1.902 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](COC)OC)CC1 1286474562 MQQLQCKDVPOGJC-GOSISDBHSA-N 429.521 1.379 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286511371 JZZYDZQZAPQNJE-DLBZAZTESA-N 438.623 1.764 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1286549610 YGAAKRYJLQJHFZ-ZWKOTPCHSA-N 444.580 1.846 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)C2CC2)CC1 1286645590 GARXDQHJMASPAH-GOSISDBHSA-N 438.598 1.252 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H](C)C2)C1 1286801372 YCYTVSZYDVZZHA-KZNAEPCWSA-N 440.614 1.402 30 10 IDEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)O1 1289168007 UQGDFBAVCKTSEN-SXLOBPIMSA-N 436.530 1.799 30 10 IDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N1CCSCC1 1300459867 JSGMEQQRFVFZHH-UHFFFAOYSA-N 444.586 1.874 30 10 IDEE CN(C)CCN(CC(=O)N(C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1300586054 ZUIYEBAQLVBHHB-PSCUFVCCSA-N 435.569 1.252 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1300686230 YKDSBAZCYUNAEX-REWPJTCUSA-N 430.597 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOC[C@@H]2CCOC2)CC1 1300720000 YOMAFOYMLSVXRX-SFHVURJKSA-N 440.548 1.682 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2COCCO2)CC1 1300729234 RMYWVYZMLLXAOE-NRFANRHFSA-N 437.544 1.445 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301260314 ZGQVSNGTJITLNX-HNNXBMFYSA-N 432.550 1.529 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1301535044 HGQPMTLMYOVCQP-MOPGFXCFSA-N 434.585 1.554 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)CC1 1302921897 YCRFCUPXNVVSGR-UHFFFAOYSA-N 446.529 1.025 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 1302924850 UMIVBJBXMZAQCM-UHFFFAOYSA-N 426.292 1.421 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1303460345 LDIMRLONCDWKFY-KRWDZBQOSA-N 441.536 1.332 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cn(C2COC2)nn1 1305766003 BBCSIEVDJVFUQQ-OAQYLSRUSA-N 441.540 1.538 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1)OC 1315792045 CVBOENIEWANFCQ-HXUWFJFHSA-N 436.520 1.986 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1F 1316492333 NKRODNYQZHDIDH-COXVUDFISA-N 441.467 1.511 30 10 IDEE CC(=O)N1CCN(Cc2cccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)CC1 1320506799 FLYPJIXVFPTWMZ-QURGRASLSA-N 425.489 1.206 30 10 IDEE C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCCCC2 1321818185 KXYGFRURJIOORQ-PBHICJAKSA-N 435.488 1.959 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC2(n3cnnn3)CCOCC2)c1 1354285981 MOIODPAMFFSTHW-OQKWZONESA-N 447.521 1.020 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCS2(=O)=O)cc1 1354942302 JRFOQZMLSBJFCX-HNOLQLOCSA-N 427.548 1.795 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1358889618 DYZHKQZIJBUSFW-HZPDHXFCSA-N 434.541 1.571 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358965299 RVDCHBFYSXDODE-WIYYLYMNSA-N 431.562 1.298 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1359016995 QWMPGNVYCDCQDS-OTWHNJEPSA-N 427.480 1.548 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359182426 GGZHMWCKVPTCHR-SFHVURJKSA-N 445.612 1.761 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2ccc(Cl)nc2C1 1359293295 MJXCKTMYVULPHF-AWEZNQCLSA-N 434.928 1.915 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(C(=O)OC)C[C@@H]1S(C)(=O)=O 1455388683 YGSUGXDNJRXLTB-CKFHNAJUSA-N 432.539 1.329 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1469536004 WNMQZVJRTHZEEY-JXFKEZNVSA-N 442.541 1.568 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1475678872 VWXDSMIAEUKZIO-INIZCTEOSA-N 448.607 1.476 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1507540358 ZHFLGXLWVWVYDH-HOTGVXAUSA-N 439.582 1.943 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 1507573465 HRUXECNEBRBRFQ-HNNXBMFYSA-N 435.529 1.162 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 1507576332 WQOXFKIFORDCFP-CQSZACIVSA-N 439.973 1.993 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1507640763 VPIWHAFDQQWAKN-GOSISDBHSA-N 444.557 1.829 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1507643208 RZHDOCVJSZBLQA-INIZCTEOSA-N 429.546 1.237 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1507714569 RKLWUGNZMQKRAA-KRWDZBQOSA-N 448.568 1.962 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CCS(=O)(=O)Cc2ccccc2)CC1 1507732197 DBMJGTQLDRJWDS-UHFFFAOYSA-N 431.562 1.185 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1508075148 UMSMDKDDCBOKRI-UHFFFAOYSA-N 448.531 1.565 30 10 IDEE CC(C)N1CCC(O)(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CC1 1509553875 MKDMFQQSRMTBRM-MRXNPFEDSA-N 443.552 1.979 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)N(C)C 1510017508 DOVBSQCVQBRJPQ-OAHLLOKOSA-N 436.520 1.287 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1516793443 GZEOXHIHADOQJQ-QGZVFWFLSA-N 444.561 1.602 30 10 IDEE Cn1nnc(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCO[C@H](C#N)C2)n1 1517425368 CLYKWIMJXDDPAE-LLVKDONJSA-N 448.260 1.147 30 10 IDEE COCCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1519385124 XHOQAFYFKFWKAR-SFHVURJKSA-N 425.493 1.894 30 10 IDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539524372 ARNHOZJNXHVIRU-UHFFFAOYSA-N 430.622 1.778 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1540128349 LFRGJRDTTZSFNF-SFHVURJKSA-N 442.545 1.381 30 10 IDEE CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1541386439 OIYAXNNREKHFHY-RXVVDRJESA-N 429.546 1.849 30 10 IDEE CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1547029025 ZMOZRKJRZCUHKX-KRWDZBQOSA-N 429.550 1.574 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1555422742 ORBYGSHHKKPCLJ-QHCPKHFHSA-N 448.531 1.721 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1=O 1555597823 VSWDOXOQJQXRLV-FUHWJXTLSA-N 428.468 1.554 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)F)CCN1C1CC1 1555994245 GRTZHLDYJIEZCR-HNNXBMFYSA-N 435.504 1.488 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1556192743 WVXYFZFAVGQLFQ-UHFFFAOYSA-N 438.307 1.119 30 10 IDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)OCc2ccccc2)C1 1558643542 YQSFLGAFQAMEHS-DZFGPLHGSA-N 431.514 1.432 30 10 IDEE COC(=O)[C@@]1(N2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)CCOC1 1560012769 YFGARIVJJPQWBS-VGOFRKELSA-N 446.573 1.969 30 10 IDEE C#CCN(CC(=O)N[C@H](C(=O)NC)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1560142759 BOHBZRJATYWLJM-NRFANRHFSA-N 442.560 1.925 30 10 IDEE N#Cc1cn(CC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c(=O)nc1O 1568679872 FITAIVSVARDNLO-ZDUSSCGKSA-N 436.255 1.439 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 1584107780 GUPLGDASZIHKKB-JXFKEZNVSA-N 442.541 1.108 30 10 IDEE Cc1nc(O)c2c(n1)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1586218573 HNDYWMHFSXEMKC-UHFFFAOYSA-N 427.486 1.305 30 10 IDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1587798683 QVWFXYVKKFDXKH-GOSISDBHSA-N 428.537 1.204 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588040971 SZXPIOCHXPKVKW-WOJBJXKFSA-N 437.525 1.789 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1588050865 WLZLFOVVVRQUNZ-QZTJIDSGSA-N 444.561 1.158 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)[C@@H](C)CC)CC1 1588733718 YTSBWUGWAGMKAR-ROUUACIJSA-N 425.537 1.742 30 10 IDEE C#CCC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 1588765521 ISNBZVDNKJJPNE-MRXNPFEDSA-N 440.949 1.788 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@@H](C)CCC 1589216652 UIIOKPAAVCTOBB-XGHQBKJUSA-N 435.594 1.725 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1593763509 MNMNKNJPQHECGQ-MOPGFXCFSA-N 432.569 1.150 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1594455559 RNYHRIXELGTJTJ-SFHVURJKSA-N 446.596 1.901 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1594566286 DKUOVSFYYHVFLZ-AWEZNQCLSA-N 438.520 1.929 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1595156127 GMQBLDQFVOEJCY-MRXNPFEDSA-N 444.561 1.765 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1595594783 PFHCDQPCXKQMOM-QGZVFWFLSA-N 428.512 1.973 30 10 IDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595659433 YIEDUEHEKAYIPO-KRWDZBQOSA-N 436.520 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595797430 GKEIDCPANUZNPA-UHFFFAOYSA-N 445.611 1.055 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1596830873 FZFAGQYSWHSICA-WBVHZDCISA-N 436.582 1.787 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1606664033 NQEZXHUGMJYONC-LKVPFJPGSA-N 444.536 1.387 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1613429103 FJLVCSIBLFRDCX-YJBOKZPZSA-N 437.504 1.762 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCOC1 1613565436 UABJCJKDBXCVGE-AWEZNQCLSA-N 439.520 1.768 30 10 IDEE CCOC(=O)N1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[C@@H]1c1ccc(C)o1 1617487935 SBFXIICBMFQZBR-QOIOWGMHSA-N 435.502 1.647 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1617534375 PHJPFLJCOIHRDB-UHFFFAOYSA-N 425.426 1.473 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619602843 LMUVAYKNIFBAHB-FUHWJXTLSA-N 428.493 1.716 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 1620001683 JHSOQSRVPOHQTO-XMSQKQJNSA-N 447.584 1.296 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)F)c2)CCO1 1620356132 SNJRAZQVHLUODW-JKSUJKDBSA-N 437.472 1.895 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 1624442730 LMRGQUAOAHKTOG-WGLILOHCSA-N 426.473 1.386 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)nc1 1626707389 AHOVIIGOYYGARQ-UHFFFAOYSA-N 429.502 1.155 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 1627831256 OPRULAUWSAXUKU-MHTXLSKPSA-N 428.551 1.596 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3(c4ncon4)CCOCC3)C2)C1 1631483603 YCVWKBDEJOXKJI-RDYUPDBUSA-N 431.493 1.978 30 10 IDEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H](C(N)=O)c1cccc(Br)c1 1632917415 SVWBQKURFQTALS-UKJPIOLTSA-N 435.278 1.350 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)NCC2CC2)CCCC1 1634711213 GOXBUCHYULLJNY-UHFFFAOYSA-N 432.546 1.461 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)ccc1OC 1635513665 IDJGWUFMIFQDLJ-UHFFFAOYSA-N 429.498 1.911 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(I)ccc1N1CCOCC1)C(=O)OC 1637696999 KZFZLKVUAQWMGO-CQSZACIVSA-N 442.253 1.423 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)cc1 1640178429 GMDTVTJIKCZVJU-NRFANRHFSA-N 440.481 1.247 30 10 IDEE CS(=O)(=O)c1cccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1640736726 SRVCMCGZCXDABW-UHFFFAOYSA-N 435.527 1.225 30 10 IDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)NCCOC)c1)C(=O)OC(C)(C)C 1642981055 WFGVBJYAJMWSQA-UHFFFAOYSA-N 425.507 1.420 30 10 IDEE CC1(C)OB(C2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)OC1(C)C 1644720944 HXAOFEWGSTTXCW-UHFFFAOYSA-N 434.327 1.680 30 10 IDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1648937460 DTAMDJMKPXGTTG-UHFFFAOYSA-N 432.477 1.842 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)[C@](C)(CO)C3)nnc12 1651154121 AENUMSMGJPLKAH-SZNDQCEHSA-N 427.530 1.799 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1653704138 VULLVLCLJRKTBI-NSHDSACASA-N 426.394 1.425 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n(C2CCCC2)c1C 1655684081 WOKXSEFPAUFKIC-KKSFZXQISA-N 429.546 1.900 30 10 IDEE C#C[C@H](NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1)C1CCOCC1 1675454812 QGYWZRJUELXTAV-NRFANRHFSA-N 428.533 1.575 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3cccc(F)c3)c2CCC)CC1 1675713798 SCCOKZUMBDMOHQ-UHFFFAOYSA-N 448.524 1.581 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 1679365467 IEJHYFLHHYGWKL-UHFFFAOYSA-N 426.539 1.529 30 10 IDEE C#CC[C@H](COC)NC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1684305147 XVNDDJHYNNIIMP-ZWKOTPCHSA-N 438.569 1.914 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(S(=O)(=O)NC)c1 1689860920 LCPZFVCJGGIHLT-INIZCTEOSA-N 441.561 1.554 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689886705 DANZJXFSWGWMMF-KRWDZBQOSA-N 449.515 1.739 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689988882 XWVMAAPBEYBILK-PKOBYXMFSA-N 445.593 1.037 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1689997236 YEPIWPOVBVBXOW-SFHVURJKSA-N 448.593 1.318 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[S@](=O)C(C)(C)C)CC1 1690113279 FLQPHQSLHHEMDG-ADKRDUOOSA-N 425.599 1.305 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(OC)C2CC2)CC1 1690113377 HXSJXZOLXRQTDK-GOTSBHOMSA-N 431.581 1.889 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCOCCOC)CC1 1690119650 MYHPDSUINCKGCH-UHFFFAOYSA-N 427.505 1.482 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C)c2)CC1 1690143851 DSLHOWVUAJALIV-FQEVSTJZSA-N 434.544 1.746 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1690298492 ZPTATDPOAACDEC-APWZRJJASA-N 427.571 1.272 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1690358825 LOCUWEATRZVPBR-MSOLQXFVSA-N 430.958 1.698 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1690497398 OZNHJKCAMYWVCU-UHFFFAOYSA-N 447.561 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690722930 BBVLHJKYFWTMQI-HOTGVXAUSA-N 433.490 1.363 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690728956 BTVUKKPCJFYKHX-KRWDZBQOSA-N 447.561 1.433 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690770852 UIWSGZTXDDGZTE-VZCXRCSSSA-N 441.536 1.519 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1691334625 BEDCLGFSWDBBDV-MTQWCTHYSA-N 446.596 1.772 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNS(C)(=O)=O 1694258242 HJNVPIJNLCQYIY-MSOLQXFVSA-N 432.550 1.488 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1695894114 CMTKFNLNVFKBSY-VQTJNVASSA-N 431.585 1.319 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)[C@@H]1CCOC1 1696647058 KZGWUGODMZAXFJ-GOSISDBHSA-N 440.504 1.203 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(CCOC)c1 1705501501 ZVXRKMGFSVGBCD-HNNXBMFYSA-N 427.534 1.619 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)CC 1705619482 RUWRMISDTJSZGW-FOIQADDNSA-N 437.541 1.828 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(=O)N(C)C)cc1 1705626248 OELCCCLKYPVSPV-UHFFFAOYSA-N 436.520 1.906 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(N(C)C)c2)CC1 1705639246 JNOPZMMNYLVJNG-LJQANCHMSA-N 442.589 1.050 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705659561 ACCBYTYUXNDHSN-LJQANCHMSA-N 447.605 1.961 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705706009 OILCYSCVLQIHTC-GGPKGHCWSA-N 426.521 1.196 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1705843315 BVIPFZXBHUDGPI-QGZVFWFLSA-N 438.573 1.787 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705894637 GGUYCXMYAXSQJZ-IEBWSBKVSA-N 431.585 1.083 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C1 1705904592 SUXDYLFRJUEHSA-HZPDHXFCSA-N 434.541 1.735 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1705905318 RCFDZIRROFIYRG-UHFFFAOYSA-N 434.548 1.540 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705905651 CCWJHALQABABLV-UHFFFAOYSA-N 444.499 1.851 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1706632633 DFPLBFFSEDVCPS-FQEVSTJZSA-N 448.531 1.833 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C 1710273327 GXLPTDHIFVJVCX-MRXNPFEDSA-N 428.562 1.924 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710326965 HLRXOCDBSLHHMG-HRAATJIYSA-N 425.468 1.469 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1722318516 DSEUOPSILOUDMK-GOSISDBHSA-N 437.610 1.531 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1722346400 XENXCBYQIXLRPF-QGZVFWFLSA-N 446.577 1.151 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)cc(C)cc1C 1722353202 UFFWVVCQHNTHBD-LJQANCHMSA-N 431.562 1.654 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOCC1(C)C 1722405064 JIXKXPHFNAWBTQ-UHFFFAOYSA-N 445.589 1.919 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)nc2)CC1 1722445906 FASWAIZSGKFVHY-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[C@H]2C[C@H](F)C2)CC1 1722566781 YWPAZVOYBDYHBS-ULQDDVLXSA-N 427.546 1.906 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNS(=O)(=O)CC)CC1 1722572610 YTBDCLGYEHNWDW-IRXDYDNUSA-N 427.571 1.488 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722706595 UNOUQTWMVSOYMF-ZHRRBRCNSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722728158 UVRXRGQEHYBQTJ-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](C)N1CCOCC1 1723562097 FGEOSQZFMMXPQG-QGZVFWFLSA-N 425.537 1.645 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1729741322 HDYPXFPGCZJOGU-ROUUACIJSA-N 430.534 1.229 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1730629401 FOACGBXQOACMAJ-RXVVDRJESA-N 447.561 1.618 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1730852191 QOOWOPFYVMQULA-QEEYODRMSA-N 433.513 1.120 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccc(F)cc2)CCO1 1731185864 GMAAYANUYOMYSV-SFHVURJKSA-N 428.468 1.851 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCC[C@@H]1CO 1740542056 NEWDPOFFOKYJMP-GHTZIAJQSA-N 449.563 1.616 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(-n2cccn2)cc1 1740641797 NHYUAQDAZSNUKL-UHFFFAOYSA-N 427.512 1.902 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccccc1F 1740684938 GHUMROROMDAIEF-QGZVFWFLSA-N 429.496 1.827 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2cn[nH]c2)CC1 1740690320 RCACSGCCXWPUAE-UHFFFAOYSA-N 432.532 1.868 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)c2nccs2)CC1 1740692577 MEUQAVIUCADVHZ-LAUBAEHRSA-N 430.578 1.946 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1740703104 GKXPDCAQUKWFND-FQEVSTJZSA-N 440.548 1.527 30 10 IDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)C)CC1 1740713493 MSHJEYIKAKZKQR-UHFFFAOYSA-N 437.577 1.818 30 10 IDEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1740931357 KGXAMSNMPHFHBE-OAQYLSRUSA-N 432.546 1.606 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(NC(C)=O)CC1 1740954648 DAIBXRKVGUDJBE-UHFFFAOYSA-N 433.516 1.900 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOC1=O 1741476724 OWRFFCIAYIRTAH-UHFFFAOYSA-N 438.536 1.912 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1748731734 KLCBIEPAEGJWKZ-RDJZCZTQSA-N 435.554 1.096 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1748812409 VFQYSAYBTCEKEJ-SFHVURJKSA-N 443.577 1.236 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1748843617 HJAJHJOXVVPPJD-SIKLNZKXSA-N 429.590 1.800 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@H]2CC)CC1 1748990570 YQBYKTMCAFVHAW-WOJBJXKFSA-N 448.637 1.200 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1749009878 MHVSNTSVTZSZRG-PMACEKPBSA-N 430.597 1.724 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)N(C)C)CC1 1749010536 MTSPFZBYTIMWGU-UHFFFAOYSA-N 438.532 1.398 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ncn(C)n2)C1 1749696684 WJGNANDHKMNHQK-MRXNPFEDSA-N 425.493 1.920 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1751094667 MQMAAJHIQUVLKG-XMTFNYHQSA-N 436.582 1.725 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760182583 GSDUACWECVRBNW-BEFAXECRSA-N 437.953 1.781 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1760191849 OFEPDMUULUWDOK-IBGZPJMESA-N 443.573 1.216 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN2CCOC[C@H]2C)CC1 1760272124 ZOIIBBUQAZSYLL-LJQANCHMSA-N 442.608 1.697 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](COC)C1 1760516937 YNFIQWBIWPZIPV-HOTGVXAUSA-N 433.484 1.711 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760517866 AVGFPBPGUWRUKF-UHFFFAOYSA-N 438.532 1.705 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1760772313 ZFERVWYERCNXNL-FQEVSTJZSA-N 431.472 1.753 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCCC2)n1 1762458442 HRANNURMJXBRCW-YLJYHZDGSA-N 426.569 1.991 30 10 IDEE CC1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1763015503 ASIYCHMAGRRPEV-IRXDYDNUSA-N 425.603 1.749 30 10 IDEE CN(C)CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766932377 LNFVHMOBEULCQO-UHFFFAOYSA-N 449.563 1.455 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCSC1 1767063554 FYBJAILENVBNHW-OAQYLSRUSA-N 426.546 1.777 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1767634947 QNEFYIIEQRFSRR-KSFYIVLOSA-N 440.504 1.463 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CC1 1769156964 SFDNYFDFDLNIBY-UHFFFAOYSA-N 435.488 1.893 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1770664016 DCDRJIWGXZWRES-VNTMZGSJSA-N 427.505 1.718 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1772566365 GCMGPOIVPYJNKG-ULQDDVLXSA-N 445.568 1.053 30 10 IDEE C=CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccccc1F)[C@H]1CCN(C)C1=O 1848787901 OSDYGWIKYLXTAV-IRXDYDNUSA-N 425.526 1.764 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3C[C@H]3C(=O)NCc3ccccc3)CC2)nc1 1851503437 SDHLVYCROHDHAT-NHCUHLMSSA-N 433.512 1.571 30 10 IDEE CN(C)S(=O)(=O)CCC(=O)N1CCN(c2nc(-c3ccccc3)ccc2C#N)CC1 1851874032 SUTSCLYALPIRSW-UHFFFAOYSA-N 427.530 1.550 30 10 IDEE Cc1cc(C)n2nc(C(=O)O[C@@H](COc3ccc(C#N)cc3)CN3CCOCC3)nc2n1 1852213119 RAMHJNYJQYJHLZ-LJQANCHMSA-N 436.472 1.549 30 10 IDEE N#Cc1cccc(C(=O)N2CCCC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)c1 1854898542 FCYUXVWNVOZUIW-IBGZPJMESA-N 429.542 1.980 30 10 IDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(CCC)c1 1861241009 IBYVRSBXJUAYTE-FQEVSTJZSA-N 425.485 1.827 30 10 IDEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1870097118 BLDVNACTXBIFEN-UHFFFAOYSA-N 429.374 1.815 30 10 IDEE C=CCn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CN(CCO)CCO 1870374328 VLTWTFKXIYBCEI-UHFFFAOYSA-N 426.473 1.049 30 10 IDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(N(C)CCO)ncnc21 1873663818 NYTIAKCGHZNEDN-UHFFFAOYSA-N 434.456 1.524 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(C(=O)OC)cc1 1874436050 JRSSUMGQNRQQNE-UFFVCSGVSA-N 433.490 1.628 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(=O)n(C(C)C)n3)CC2)CC1 1889351004 MJZRYOFNUXPYHT-UHFFFAOYSA-N 429.565 1.086 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 2136167158 UIRUESZPWXJEMB-MELADBBJSA-N 426.267 1.600 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C[C@@H]1O 2224103390 URRYTVXJQSXURT-OIISXLGYSA-N 433.358 1.879 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2232272492 CHEBUKHUFVNGPO-QFIPXVFZSA-N 449.357 1.473 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248401612 LQRUMDKQUJZHPG-LJQANCHMSA-N 438.359 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255642489 GSBCPSWIWKADOI-UHFFFAOYSA-N 434.302 1.400 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C1 2255942237 MYBKOZQDUMHVHZ-QGZVFWFLSA-N 446.382 1.272 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCc2cnn(Cc3ccccc3)c2)n1 2267121798 CHUYYNVEZBPZIS-UHFFFAOYSA-N 436.325 1.332 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130343 NFOYISAFCMPOMZ-SQWLQELKSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2267135507 DFXRDMKBBNBTEK-YUELXQCFSA-N 448.329 1.073 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1 2267148970 GVIKWVATXISMHR-PEBXRYMYSA-N 446.357 1.941 30 10 IDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC(C3OCCO3)CC2)OC1(C)C 2267370342 KPWPNVKEZUTLFR-UHFFFAOYSA-N 429.369 1.821 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](O)C1 2267596038 LGFCBWGAJMPLNH-NVXWUHKLSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268655021 GZJNFBUWNXGIJP-CAJLXGCNSA-N 447.341 1.985 30 10 IDEE C=CC[C@]1(CO)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2287691323 AMGBQQADPANDFK-XLIONFOSSA-N 440.518 1.346 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1CC2=NO 2381957611 KMZPNISRSSUQQY-MHWYNOHBSA-N 437.493 1.949 30 10 IDEE CN(C)CCCN(CCC#N)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 58227174 WCGQXSZFYKIEEQ-UHFFFAOYSA-N 438.550 1.162 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cn1 59886681 KVDQTGATOINQRR-QGMBQPNBSA-N 445.465 1.733 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 303540678 HUBQODIPEPANRW-FUHWJXTLSA-N 430.505 1.729 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCO1 409512772 JTVFGXDCOVBYDJ-JKSUJKDBSA-N 436.538 1.187 30 10 IDEE Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 446968234 YMNAPWRBVGPZEX-UHFFFAOYSA-N 439.501 1.172 30 10 IDEE COc1cc2c(cc1OC)CN(C(=O)CCCNS(=O)(=O)CC1(C#N)CCC1)CC2 477501398 SLDJMVLQKNZZBY-UHFFFAOYSA-N 435.546 1.982 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 506094712 WBEMTONSMZCIFG-MRXNPFEDSA-N 429.498 1.695 30 10 IDEE N#CCCN(C(=O)CCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)c1ccccc1 513561115 UAZCMUNZBHBVTH-UHFFFAOYSA-N 432.546 1.786 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C[C@@H]1CCCO1 514835880 UUQNHJSRSQNFEK-ZDUSSCGKSA-N 433.480 1.395 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 515664907 RFRKKVXOISQTKP-UHFFFAOYSA-N 432.530 1.958 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 517639761 PAVQMVHENIPHPP-QGZVFWFLSA-N 442.545 1.068 30 10 IDEE CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 543940444 TWHAOTCPWXZIAE-UHFFFAOYSA-N 428.880 1.663 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](c3ccnc(N)n3)C2)CC1 548931245 RIGMMHUDTABKQO-AEFFLSMTSA-N 425.562 1.709 30 10 IDEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 549354633 LZXYYNQWPMLFBF-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE CN1C(=O)C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 578267818 BDCWYLAJGSACDQ-FXAWDEMLSA-N 446.916 1.578 30 10 IDEE CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 590400566 WHDSWKOIBXGZPC-RTWAWAEBSA-N 446.573 1.281 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c3c(c2)OCCO3)c(=O)n1CCC 590909181 DVQWTJJZKLMQMK-UHFFFAOYSA-N 443.525 1.129 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(C#N)cc1F 609231242 PEPFBSGFAGWGIZ-ZDUSSCGKSA-N 433.461 1.842 30 10 IDEE CC[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730141279 IVASGYBFKVWFJF-LZLYRXPVSA-N 447.605 1.989 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1 732663019 JIZFGGGAKHHSTM-UHFFFAOYSA-N 441.509 1.710 30 10 IDEE C[C@]1(c2ccc(Br)s2)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732672830 NURJTGFUTDHZNG-SJKOYZFVSA-N 438.351 1.907 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cccc(I)c1 739957453 DHHZFFCBEZZTRM-YPKPFQOOSA-N 447.254 1.096 30 10 IDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OCC1CCOCC1 741428516 YFTIZZSAVOURBA-HXUWFJFHSA-N 426.517 1.938 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 757200287 MCYYFUDLCGSBCR-CAPFRKAQSA-N 442.563 1.540 30 10 IDEE C=CCCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 757230697 GOMRKWVJOXQBDN-UHFFFAOYSA-N 447.351 1.793 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(=NOCc3nsc(N(C)C)n3)CC2)cc1 760345178 BWXAGXSSQRAQJV-UHFFFAOYSA-N 425.536 1.970 30 10 IDEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 765004477 VEXXWTBAFZXDKV-UHFFFAOYSA-N 425.510 1.928 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1C[C@@H]1CCCO1 767872093 MCFKLISCIZSTKB-AWEZNQCLSA-N 444.582 1.452 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)cc1 770893514 SGWAIAGAIYPNNJ-FQEVSTJZSA-N 443.569 1.853 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 786814839 YNKLFGYKGUQLBU-STQMWFEESA-N 437.522 1.921 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1F 801155269 HEZXCRKDESYZMN-HTXNQAPBSA-N 438.481 1.112 30 10 IDEE COc1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc2c1OCCO2 916333002 LYUVMGCIGCBLHY-UHFFFAOYSA-N 447.517 1.244 30 10 IDEE C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 916563853 IXKYUDQBKOQZEF-OAHLLOKOSA-N 427.530 1.504 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCOCC1 916659251 PNBWWSYACGLLAR-SFHVURJKSA-N 436.578 1.513 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)CC1 1138972236 KCISMSRATIFSAE-UHFFFAOYSA-N 426.517 1.976 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2CCNC(=O)OC(C)(C)C)CC1 1144026153 JKBKPLCLLZADKJ-UHFFFAOYSA-N 442.560 1.651 30 10 IDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1158009961 RUJRLZLUJILAAE-IPELMVKDSA-N 447.557 1.982 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2ccno2)CC1 1175561040 CCCUIDLSRKLEKM-UHFFFAOYSA-N 445.545 1.618 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)[C@@H](C)COC 1214205928 QXYUBPGVSYYZEV-GOEBONIOSA-N 445.563 1.207 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCN(CC)CC1 1286369119 DABAPKJUEAIOQX-GOSISDBHSA-N 448.575 1.937 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@H]1CCOC1 1286412964 FYWVRANHVWADED-NRFANRHFSA-N 449.559 1.721 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O 1286437790 RDADEFDANXGHFB-UHFFFAOYSA-N 431.566 1.532 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C 1286454203 HRGMMJDKTQAMFR-HZPDHXFCSA-N 436.557 1.617 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCS(C)(=O)=O)CC1 1286483711 VNWYCIPQUFTSLD-UHFFFAOYSA-N 431.562 1.090 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1286484476 OWHJSVLPVKFKPP-JPYJTQIMSA-N 441.532 1.161 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOC[C@@H]2CCCO2)CC1 1286489955 IMVCESSBMMIPJB-IBGZPJMESA-N 440.548 1.825 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCCCCC2)CC1 1286490676 OQVKQBJLTSQQBT-SFHVURJKSA-N 442.564 1.280 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CC(N)=O 1286546368 IUNXUUJCJAZIKZ-DAYGRLMNSA-N 427.509 1.607 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC(F)F)CC1 1286663563 NNEIXNWSUHKOFI-HNNXBMFYSA-N 449.524 1.295 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286673652 ZZVDGEJPNKTEMU-HNNXBMFYSA-N 446.577 1.439 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(F)(F)F 1286788170 RFFGIHBKJZRWAJ-UHFFFAOYSA-N 438.458 1.753 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1286788911 JXGRBUZPOPGWRK-QFIPXVFZSA-N 427.505 1.175 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286821613 QNFXGXQTCAJJSA-OAHLLOKOSA-N 427.571 1.935 30 10 IDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1286833928 URPSMDNPNGDALG-KRWDZBQOSA-N 441.561 1.387 30 10 IDEE CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1295613271 GIRWUNUBQFRUIV-XGIGFIBQSA-N 449.515 1.782 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H](CC#N)c2ccccc2)CC3)CC1 1297662294 IJWDRTWXSILAGQ-ICSRJNTNSA-N 434.544 1.647 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300492837 OWWCYNXKVYCJAN-UYAOXDASSA-N 448.637 1.056 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1300571356 CQMIYQVWZGOYBH-GOSISDBHSA-N 449.511 1.632 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1300580779 ILMCAMQRBSARBZ-RBUKOAKNSA-N 435.519 1.991 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1300650294 SFXSXBFBJQWLBO-UHFFFAOYSA-N 445.545 1.074 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCn1ccnn1 1300657497 MJQFCJCMWFQXAW-UHFFFAOYSA-N 447.341 1.814 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2C[C@@H]2COCCO2)n1 1300681030 KCOJJGQIJHEIKW-LJQANCHMSA-N 437.504 1.238 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 1300889596 CVGQBLZYKCPCDC-QUCCMNQESA-N 442.568 1.582 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1301044232 IDLHSVUUZUKGMK-CABCVRRESA-N 447.989 1.615 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1[C@]1(OCC)CCOC1 1301521068 ZCRVFFOWKFEYNC-QRWLVFNGSA-N 448.549 1.267 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(CC(C)C)CCO2)C1 1301535051 HGQPMTLMYOVCQP-RTBURBONSA-N 434.585 1.554 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1301557977 SCORDUYWTXZZRN-KSZLIROESA-N 439.582 1.377 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301578610 GDJDXNNCWTXSGG-HNNXBMFYSA-N 436.538 1.161 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1301585813 BOELRJPWYSVTOM-QGZVFWFLSA-N 442.549 1.335 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCOCCCO)o1 1304326718 XYDMBKRGDVBHSV-UHFFFAOYSA-N 437.504 1.839 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1315744775 CLFLYLUSTGDTMX-FPOVZHCZSA-N 441.532 1.989 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1316140809 QQXITWHVYLJZRL-WIYYLYMNSA-N 440.548 1.922 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1358984952 LGNPGJSEVBDBAS-BEFAXECRSA-N 435.575 1.320 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1359039803 WSLLHHHKLLLHMO-UHFFFAOYSA-N 443.523 1.681 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCCC 1359065931 HZLHXBKTZCMEMG-OAQYLSRUSA-N 429.546 1.867 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1c(C)noc1C 1359240914 ZVJDTQVMXFWWPQ-CJNGLKHVSA-N 438.554 1.642 30 10 IDEE C=CCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290134 JUGLCPASVBCUFA-IIBYNOLFSA-N 432.525 1.271 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359297017 BMRHZTUREFGSGO-LJQANCHMSA-N 435.532 1.966 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1359303259 IRLFCCVFUOFBKS-IEBWSBKVSA-N 438.532 1.669 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1C(C)(C)C 1359335635 QIIKVBOHHQTGOR-GOSISDBHSA-N 430.596 1.191 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(N2C(=O)CCC2=O)cc1 1457211531 IPOJFNARSKEIRT-ZDUSSCGKSA-N 426.454 1.517 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CCC[C@@H]1C#N 1460603774 CTVUVHUTGDQEBU-RHSMWYFYSA-N 426.489 1.422 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1 1463921893 GZELXMMKYLESTL-AWEZNQCLSA-N 432.502 1.906 30 10 IDEE C#CCN(CC#N)C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1467390346 XUKOKCGTMJQDEF-NRFANRHFSA-N 430.464 1.754 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1468372608 GYTFITMVSDKFQN-VIFPVBQESA-N 434.172 1.769 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@H](CO)[C@@H](CCO)C1 1472393049 FSKINHZXCCLIGV-NLWGTHIKSA-N 429.517 1.842 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CS(C)(=O)=O)C2)n(-c2ccccc2)c1C 1473842225 VQOMTQYEGJBODS-SFHVURJKSA-N 430.530 1.650 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OC 1475578998 ODMGBWUANYXHAS-LLVKDONJSA-N 433.280 1.566 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(CC)cc3)CC2)C1 1479313074 LURILYVITSHBKQ-FPOVZHCZSA-N 426.561 1.968 30 10 IDEE CN(C)c1cccnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1503391008 BDDBJQDFXHZGNF-QGZVFWFLSA-N 443.577 1.820 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1503806606 FPFAZEKIIIFKKJ-MRXNPFEDSA-N 434.447 1.725 30 10 IDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1505034809 GXZLYLDEXWQXKP-SFHVURJKSA-N 428.493 1.059 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCC(=O)N1CCOCC1 1505069703 HTDKLVNHZJSYHI-HKUYNNGSSA-N 446.552 1.381 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2Cc2ncn(C)n2)c1 1507549637 JMXZBSCCEIOBHC-UHFFFAOYSA-N 427.472 1.573 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1507631353 OUDKJMUJLCSLLT-UWJYYQICSA-N 445.545 1.081 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)C 1507659695 CTXONHHQVBZBCW-GBESFXJTSA-N 435.594 1.802 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)CC1 1507723881 XRSCXJDUIPPLQD-MRXNPFEDSA-N 448.449 1.931 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1507819646 UPCUISQFZYOLDR-GOSISDBHSA-N 425.537 1.912 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2OC)CC1 1507885315 WXFQFYNIUKSJMJ-IBGZPJMESA-N 447.561 1.824 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507913516 SPDYRXMPKBELER-HNNXBMFYSA-N 436.524 1.869 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507927126 XRRHWOGZCINTNJ-QAPCUYQASA-N 445.611 1.260 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507961592 CPPBEKWNUBBCAM-GOSISDBHSA-N 429.525 1.099 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1508058970 JPFDINSDPXRYOX-KRWDZBQOSA-N 433.582 1.039 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1508080490 PDLNSOLUNWZADW-UHFFFAOYSA-N 435.532 1.701 30 10 IDEE CC(C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1508997771 XWXACQLGCAWHPO-HTXNQAPBSA-N 443.552 1.623 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1539265490 GYXQWRYLFZBNQJ-PMACEKPBSA-N 425.558 1.556 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ncn(C)n1 1539265726 KACPZHACYBXARE-UHFFFAOYSA-N 438.536 1.642 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1539271494 DFGHNRKRSKUWJL-UHFFFAOYSA-N 427.512 1.617 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](COC)OC)CC1 1539434932 YALYODJJBNNQJP-SFHVURJKSA-N 435.475 1.963 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1540036684 RLXFDOZZVVEJFS-MSOLQXFVSA-N 438.594 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCS(=O)CC1 1540899340 KTAMEADEGWEHMA-UHFFFAOYSA-N 434.543 1.861 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540901806 PVLDAPDGYSKLOL-KRWDZBQOSA-N 430.538 1.354 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)(F)F)CCOC1 1541733496 QVLODAONXONBIW-PBHICJAKSA-N 433.431 1.974 30 10 IDEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)N1CCOCC1 1541993862 GANWUMFOPXBDIX-HSZRJFAPSA-N 437.548 1.629 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 1542729440 CQNJFCFZSGYMPN-UHFFFAOYSA-N 435.546 1.742 30 10 IDEE CCc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cs1 1546371843 AZKACGRCSGMYIZ-ZFWWWQNUSA-N 436.563 1.171 30 10 IDEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1548045703 DORAKNZACXEJBA-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CCCS(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)N(C)C 1548372679 UFYJUPXRDVOAKK-INIZCTEOSA-N 432.468 1.896 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cncn1 1554327422 GGZYQAAOFYEVSR-CYBMUJFWSA-N 432.286 1.067 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555348866 JWCKBPOGNGWCCF-YGCDDZCOSA-N 437.504 1.729 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H](C)O1 1555385312 FCJVZIOGFCNWNM-JWKLYUKHSA-N 427.505 1.597 30 10 IDEE COCCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1555476459 XFFKRUIBRLWCTQ-SIKLNZKXSA-N 432.569 1.922 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1555520332 QFFGQQKZFFDOBB-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1555993470 OVFSNTJFIUTWNS-GFCCVEGCSA-N 431.382 1.515 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CC(c4ccc(Cl)cc4Cl)=NO3)C[C@H]1CS(=O)(=O)C2 1558642922 HQPSDVZUSOPYFH-GLZQIGESSA-N 428.297 1.883 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cccc(S(=O)(=O)NC[C@@H]3CCCO3)c1)C2 1558676075 YICJFHOZADVYFH-AWEZNQCLSA-N 446.554 1.858 30 10 IDEE N#Cc1ccc(F)c(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 1587324530 FKOVRJZFCLTRPW-UHFFFAOYSA-N 430.461 1.836 30 10 IDEE C#CCN(C)c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1588006036 AZLWYVPRZYLGQA-UHFFFAOYSA-N 447.630 1.901 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1588083244 CSFGJXLVVZVBQE-HOTGVXAUSA-N 433.509 1.568 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)Cc2ccccc2Br)CC1 1588199696 VYAVSRYQSLMFMK-OAHLLOKOSA-N 442.379 1.630 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O 1588612214 BVPQQYWNZBIALD-UHFFFAOYSA-N 441.351 1.838 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1588645834 DBIYWLCPLHKVAR-HUUCEWRRSA-N 430.621 1.115 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)c(F)c2)CC1 1588732445 ARMZOHBCJDBRHH-UHFFFAOYSA-N 428.487 1.790 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)CC)CC1 1588872201 YOAVSAJZXORENI-UHFFFAOYSA-N 447.561 1.056 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC[C@H]2CCCO2)CC1 1588930091 NIOOOHGAMHNONX-VQTJNVASSA-N 445.564 1.334 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1593729873 PVLSPRZDRGRCAB-SFHVURJKSA-N 441.580 1.665 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595405766 XBEUYNBVFLUZOA-YCRPNKLZSA-N 432.525 1.631 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1595490512 UOGCXIJZKSUVEP-MRXNPFEDSA-N 433.516 1.806 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CCO1 1596633649 NSRMLRPKCUUVSE-HXUWFJFHSA-N 431.456 1.671 30 10 IDEE C[C@H]1CN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 1612988916 AJQVMHNEWTVFQK-ROUUACIJSA-N 437.548 1.642 30 10 IDEE CN(C)c1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1617672444 ICZGCBFVYCXQDU-UHFFFAOYSA-N 432.488 1.174 30 10 IDEE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1618071737 RRGLNNYUNRATBN-RYUDHWBXSA-N 426.336 1.791 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C(C)C)N1CCOCC1 1619989973 LVMYSEDFTMBMBA-LQWHRVPQSA-N 438.548 1.801 30 10 IDEE C=CCCn1cc(CNCCNS(=O)(=O)c2cc(C)ccc2Br)nn1 1620929077 QESGASUESARWEI-UHFFFAOYSA-N 428.356 1.993 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1624249092 KYYXYDTXGCWSAM-UHFFFAOYSA-N 438.502 1.206 30 10 IDEE COc1ccc(Br)c(C(=O)NCCCNC(=O)N2CC[C@@](O)(CC#N)C2)c1 1634267589 CERPZJSRPCJHRI-SFHVURJKSA-N 439.310 1.638 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCNC3=O)cc2)s1 1636728226 DOHCIMDHFSGNIQ-UHFFFAOYSA-N 434.543 1.601 30 10 IDEE C#CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638330963 HJKFJFFNEYZENK-RWQQGDIJSA-N 445.516 1.010 30 10 IDEE CC(=O)N[C@](C)(C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1639961753 HDYBCHQCTJPFRA-UNMCSNQZSA-N 443.525 1.505 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)c1 1643480144 WGOUNVCWINUAAG-INIZCTEOSA-N 429.473 1.901 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@H](C(F)F)CC2)CC1 1644109616 UKWFFEVBMFXYNY-HNNXBMFYSA-N 435.431 1.811 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1645772282 XKJZUWBJJPRSNT-QGZVFWFLSA-N 442.965 1.803 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC2(CCOCC2)CC[C@H]1CO 1646102143 HPRITUXMEJHBRD-INIZCTEOSA-N 435.546 1.285 30 10 IDEE CCOC(=O)C1([C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 1648075112 SWWUYYGYZQVYBM-GJZGRUSLSA-N 437.518 1.090 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1650846200 NFHAFPHICUBWQX-UHFFFAOYSA-N 442.582 1.026 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689986433 PVOUHHOFCZCVMH-QGZVFWFLSA-N 429.546 1.406 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1689993825 MFHITPRYZJVHET-INIZCTEOSA-N 443.558 1.099 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690038207 HLLSNJHEGPYBHW-QFIPXVFZSA-N 426.542 1.520 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC(C)C)CC1 1690115069 QFJRNFIPQHUULG-UHFFFAOYSA-N 440.548 1.632 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690242786 CMQKGYINLSFUIB-LNLFQRSKSA-N 448.593 1.783 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 1690668999 PUIPNJGJCXKGBX-PBNKOMEISA-N 439.545 1.972 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690675977 LNKPZSUTGXCPEZ-QGZVFWFLSA-N 447.561 1.481 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1690993168 GLSZBYJHOXUMAN-OAHLLOKOSA-N 427.484 1.679 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1691001111 CLMUMXWOPXBOJQ-WMZOPIPTSA-N 425.541 1.274 30 10 IDEE CC(C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1691891546 DEVLICXICSBGNO-XUVDNFPMSA-N 428.415 1.695 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCC2)CC1 1692848424 RMGUDZYDHUCPBN-MRXNPFEDSA-N 436.582 1.931 30 10 IDEE Cc1ccccc1-c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693251344 QKMIHYBGRQYNMW-HOWSWSOSSA-N 436.516 1.987 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695460820 BDXRTMDFVDUROE-SFHVURJKSA-N 438.536 1.292 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1705583407 XMJYNESGSORJCO-QFBILLFUSA-N 426.498 1.298 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705598760 QDHFYYOJCGAFHQ-RTWAWAEBSA-N 440.592 1.578 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1)C1CC1 1705853347 XEIBLSVSKWHACT-SFHVURJKSA-N 429.546 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705896372 KICQJHOXPXMHSN-QGZVFWFLSA-N 440.548 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705899619 AHMOOYXJVCEPJE-INIZCTEOSA-N 425.518 1.985 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705903498 XAPKPQAJDWPTKN-MRXNPFEDSA-N 433.557 1.452 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705931585 UOQUJRGYTQCDJL-KRWDZBQOSA-N 449.558 1.041 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705932676 ICYDCFZGTZHNCI-QGZVFWFLSA-N 444.536 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1705935115 HOOZVBRBSIRPBT-NRFANRHFSA-N 431.562 1.480 30 10 IDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)N1CCOCC1 1706256714 FJJZOBMIUAQVRJ-VQTJNVASSA-N 437.548 1.485 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1709829076 DJZKBAPLZXEJHW-UHFFFAOYSA-N 439.520 1.204 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)C(C)(C)C)CC1 1722439028 LGWZJOUBOAETQD-UHFFFAOYSA-N 438.576 1.795 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722484713 WOKVNVKDKOABSW-CQSZACIVSA-N 448.387 1.552 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722608249 ZQHZWNVDXCPPRB-LJQANCHMSA-N 439.564 1.731 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1722656889 LBMLIZHTWMGKPY-MBSDFSHPSA-N 433.516 1.772 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1729422771 FZMLLGULLWBEOA-UHFFFAOYSA-N 437.529 1.884 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1731012254 DAEURTDXJGHONO-UHFFFAOYSA-N 444.492 1.603 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1740546815 LICCELJGNIITLM-GFCCVEGCSA-N 447.421 1.328 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1740554380 YQIHISUDQIPZCI-FXAWDEMLSA-N 427.574 1.696 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1740647060 IRRNLZZZMRKBFV-UHFFFAOYSA-N 427.530 1.183 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1740679584 DIQOQYRPKLTVSG-SIKLNZKXSA-N 433.553 1.275 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)NC 1740682657 FDWBRQBLDNRWHD-UHFFFAOYSA-N 428.518 1.129 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)coc2C)CC1 1740701201 XXEWAKYWGZXYKT-UHFFFAOYSA-N 426.521 1.640 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1740705581 JNMJWFNLMPUVFB-JTSKRJEESA-N 443.573 1.717 30 10 IDEE C#CCSCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740724253 ZOXRCODGBVPJOT-NQIIRXRSSA-N 435.594 1.206 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740965391 IKLYMLOMDOJZOD-PTZHDYIFSA-N 449.552 1.077 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nncn2C)C1 1740977016 BQGXICKQAFCQMV-INIZCTEOSA-N 425.493 1.920 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC(OCC)C1 1748650768 DMMWLZWWBDKWGC-FPPRHVDESA-N 432.546 1.737 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CC1 1748685305 XTRAQBUHOWUOAR-INIZCTEOSA-N 428.562 1.592 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1748752001 PYELPDZKOLWMDS-QGZVFWFLSA-N 429.546 1.977 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1748752123 SEBSPDRDGJQFFY-QGZVFWFLSA-N 448.618 1.681 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCNS(C)(=O)=O 1748779678 SVDKCDKPAHYKEG-UHFFFAOYSA-N 430.303 1.465 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748819757 SXWANGBFKUXURR-WOJBJXKFSA-N 442.589 1.231 30 10 IDEE COc1cccc(-c2nnc(N3CC(C)(OC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1748909119 OIPSWIVCUXIHSG-CZIZESTLSA-N 438.488 1.705 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)c2nccs2)CC1 1748972361 GUAWTSUZJYKFSO-MRXNPFEDSA-N 436.545 1.941 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)OCC)CC1 1749000891 CWFXHLRAOBEZCV-UHFFFAOYSA-N 430.553 1.295 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1 1749053371 HOAXWXSLZIRAOL-MGPUTAFESA-N 431.566 1.390 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1749115085 LBHMKJXMNVRONJ-RBUKOAKNSA-N 442.568 1.906 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1749142363 YONNSDCAPRIODC-UHFFFAOYSA-N 448.549 1.268 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(N)=O)CC1 1749226401 PQOCAQFMGMFPTR-UHFFFAOYSA-N 430.509 1.690 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C1CC1)C1CC1 1749519016 CRKQEVXJJWHDAL-MAUKXSAKSA-N 438.598 1.249 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749667022 RSXDTVWTMIFPPU-QGZVFWFLSA-N 425.537 1.693 30 10 IDEE COCCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)cn1 1749856281 HIONBBKLJPULJZ-HXUWFJFHSA-N 427.488 1.473 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1750104734 PDEROFFEGKOZLW-FQEVSTJZSA-N 440.548 1.638 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCC(O)CC1 1750139723 GFLFBKBDXVTEPT-ICSRJNTNSA-N 446.596 1.979 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1751017744 IMIMMBMQSYJBQB-LEWJYISDSA-N 443.483 1.303 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1760114785 SVWORPNDUZTTBD-CEWLAPEOSA-N 436.560 1.978 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760114860 VAJHWSDIKOBCHA-PKOBYXMFSA-N 435.532 1.036 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1760117789 UAYHHDPTRYMRFV-GTAWCEEGSA-N 443.573 1.873 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1760182676 IELQSJKTGNZTOM-PGRDOPGGSA-N 444.557 1.741 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1760186203 LAVSUHKCHCTACQ-GOSISDBHSA-N 432.546 1.807 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1760192384 IHOJOKMRLQQMLB-JWHDQAAXSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1760210683 VMGGGAQZPINVOR-KRWDZBQOSA-N 428.562 1.466 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760234933 XYLJNGGXNRIGAA-CABCVRRESA-N 428.459 1.342 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1760458667 PNZFSLPHNGXOOW-HXUWFJFHSA-N 437.552 1.900 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(O)c2sccc2n1 1760514292 AMQJTQXCPOOMIU-UHFFFAOYSA-N 444.521 1.065 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H]1C 1760531935 FOQBEQMHDGPSRF-JKSUJKDBSA-N 435.550 1.727 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1761463719 LLXHLNYMPWJBLN-LSDHHAIUSA-N 448.549 1.720 30 10 IDEE CCCNC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1764584773 VNJBXBHEOAUEAR-GCJKJVERSA-N 445.568 1.021 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1768293342 BFUKQSMVOOJIAR-UHFFFAOYSA-N 427.490 1.307 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1772516782 QXJGEPJUVLCAMQ-UHFFFAOYSA-N 439.491 1.741 30 10 IDEE CN(C)C(=O)[C@H]1C[C@H](OC(=O)Cc2cc3c(cc2C#N)OCO3)CN1C(=O)OC(C)(C)C 1851243224 LZKRNUJGUGJPLR-JKSUJKDBSA-N 445.472 1.839 30 10 IDEE COc1ccc(-n2cc(CN3CCN(C(=O)c4ccc(CC#N)cn4)CC3)nn2)cc1F 1851593722 RODVVDLZTVDLHU-UHFFFAOYSA-N 435.463 1.834 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 1851654971 OJYZDQVPPBXYRD-UHFFFAOYSA-N 433.921 1.904 30 10 IDEE C=CCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O 1857784042 KGJIVLVRKRBNOW-OUUBHVDSSA-N 429.466 1.015 30 10 IDEE CCOC(=O)N1CCN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868784789 YYPFFBGJINKWPN-KRWDZBQOSA-N 447.561 1.442 30 10 IDEE CCCCCCCCN1C[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)CC1=O 1872989720 SFQAHQRWUXSMBN-GOSISDBHSA-N 427.553 1.982 30 10 IDEE CSc1ncc(Cl)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)n1 1889333809 XTPPCKYSGBLOJM-UHFFFAOYSA-N 437.997 1.724 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NC[C@H]2CN3CCN2CC3)CC1 1891253392 IBFBZURRZVXHIS-INIZCTEOSA-N 426.546 1.607 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248403182 BXTJVHGBNIHTNV-IUODEOHRSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC1 2255697801 KXVPRXVLMNEDMP-UHFFFAOYSA-N 432.330 1.578 30 10 IDEE Cn1cc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2267131927 JBUKBEFFTISLPB-GJZGRUSLSA-N 446.357 1.562 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C2OCCO2)C1 2267362024 LNDCSYDETKGYEF-ZDUSSCGKSA-N 429.369 1.739 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NS(=O)(=O)C3CC3)cc2Cl)OC1(C)C 2269034220 UNXJIUCHIVXRCO-UHFFFAOYSA-N 427.762 1.471 30 10 IDEE CC(C)(C)OC(=O)NCCN(CC(=O)N1C[C@@H](C#N)N2CC[C@H]1C2)Cc1ccccc1 2303307259 NGPIOLNIWXERRO-VQTJNVASSA-N 427.549 1.822 30 10 IDEE COc1cccc(C=CC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1OC 2323202194 QBIRIXVVMYFOIC-UHFFFAOYSA-N 426.429 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H](CC(N)=O)C1 2343293154 PYVOKCQTFUAULM-OAHLLOKOSA-N 446.357 1.682 30 10 IDEE Cn1nc(Br)c(Br)c1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367735921 GQIMSEYTWBGSND-MRVPVSSYSA-N 425.146 1.916 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(c2ncnc3c2cnn3C)CC1 28178548 CNMHNKDUJKXSAI-QGZVFWFLSA-N 448.531 1.829 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)cn1 59830147 YASPCOSESCGSCF-MNUWJXFPSA-N 425.522 1.790 30 10 IDEE CCCC/C(C)=N/Nc1nc(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)n[nH]1 59891301 ZAVHXODWVDPSES-DEDYPNTBSA-N 435.558 1.911 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ccc(I)cc2)CCO1 409500643 NNNXHMYHEHSFBR-CABCVRRESA-N 447.298 1.897 30 10 IDEE Cc1nn(C)c(N2CCN(CC(=O)N3CCC(OCc4ccccc4)CC3)CC2)c1C#N 472152365 IFPYPTSRXQCRQO-UHFFFAOYSA-N 436.560 1.930 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C(C)(C)C)cn1 479346663 JQNAMYLCWJTHIT-UYAOXDASSA-N 435.532 1.724 30 10 IDEE CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 486835305 QXZWMICXRJRCMU-UHFFFAOYSA-N 430.305 1.598 30 10 IDEE C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 495052711 YJFXTIUFXBSOOJ-BRWVUGGUSA-N 427.549 1.942 30 10 IDEE CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CC1 503268118 DCRXWRUTFIUVCS-IBGZPJMESA-N 434.382 1.795 30 10 IDEE C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CCC(=O)[C@]2(O)COP(=O)(O)O 504398637 VDOLADXQHJJIQS-HDMXUNIBSA-N 440.429 1.675 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 504562515 CXUBTUZQUOCBBJ-LJQANCHMSA-N 425.507 1.815 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4c(F)cc(C#N)cc4F)CC3)C2=O)n(C)n1 506844153 MBIVAQDPRVDTBP-SFHVURJKSA-N 442.470 1.832 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(F)cc1 514331504 UBVHTRIDMDPXBS-CYBMUJFWSA-N 443.525 1.754 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 533883216 DFUQYVDBAJUAPQ-SFHVURJKSA-N 425.554 1.898 30 10 IDEE CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 539632738 TVVQOIGIGYUEGB-CVEARBPZSA-N 430.534 1.757 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCN(CC(F)F)CC2)CC1 554455195 ZRCOAIJDTSMJDS-UHFFFAOYSA-N 426.489 1.368 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 588961520 IDXPOGPOKDEOOJ-HNNXBMFYSA-N 432.468 1.850 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@H]1CCCO1 590915834 XCOCPKGCWPNUFK-GFCCVEGCSA-N 437.974 1.831 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 604001345 BAYMCCYVUNQDIP-UHFFFAOYSA-N 430.464 1.691 30 10 IDEE CN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cc(C(F)(F)F)c2)CC1 725390130 KRFSCBHBIVTRCD-UHFFFAOYSA-N 434.289 1.941 30 10 IDEE C#CCN(C(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1)[C@@H]1CCS(=O)(=O)C1 729332248 LRDMGHUSSIOVGP-QGZVFWFLSA-N 437.477 1.354 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(CCC)CCC)cc1)[C@H]1CCS(=O)(=O)C1 729333126 NBGVOFBCLMLXCI-SFHVURJKSA-N 440.587 1.760 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccccn2)C1=O 730143359 AJRVSXHDNQAQTO-HMWBEYIWSA-N 440.573 1.587 30 10 IDEE C=C(COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C)C(=O)OCC 734027431 UYDZKMCRQFQOJK-SFHVURJKSA-N 441.502 1.813 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3OC)c2=O)cn1 735069028 KRUYSSJOXOVVNY-UHFFFAOYSA-N 449.536 1.296 30 10 IDEE COCCNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(OC)c(C#N)c2)c1 746729435 UKRMBMFPAQLNDC-UHFFFAOYSA-N 432.502 1.491 30 10 IDEE C[C@H](CC(=O)NCc1cn(C)nc1C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 748146363 ASXYYNKRUUTSDV-SNVBAGLBSA-N 429.424 1.572 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cccnn2)c1 766420347 QHFVBACKHASRNQ-GOSISDBHSA-N 426.546 1.985 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2cccc(O)c2)C1 766793952 JKSXSWFDCOPMHA-SFHVURJKSA-N 429.498 1.811 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)c(C)o1 767959207 QOHBEHCGLRUUGR-UHFFFAOYSA-N 430.489 1.762 30 10 IDEE C#CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 774014794 GLTCDPQTUMGHRD-KRWDZBQOSA-N 441.575 1.680 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)n1 788558085 ANTVJTXGRNGOEN-UHFFFAOYSA-N 431.518 1.737 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(-c3ccc(F)cc3)c2=O)c1 794593886 ZZHCWYQLTLOIBH-MRXNPFEDSA-N 437.496 1.875 30 10 IDEE CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 914578562 CNXYTZRJYFAAAO-UHFFFAOYSA-N 440.934 1.521 30 10 IDEE C=CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1nc(C(=O)OCC)cs1 920242659 HZMIMAUOLKHPMY-MRXNPFEDSA-N 427.486 1.959 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1131219914 DOTZGLMUSPRXID-ROUUACIJSA-N 436.553 1.785 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CCc1c(C)nc3c(C#N)cnn3c1C)CCO2 1133446083 QTTOOWCEVMPFQJ-WIVVBHTDSA-N 425.489 1.767 30 10 IDEE CC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(Br)c1 1134278736 JFMRYQIAGYCAEM-QRTARXTBSA-N 440.319 1.023 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 1135348833 ZLZQHLDYSYARAX-UHFFFAOYSA-N 439.509 1.529 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2)c1cc[nH]n1 1141318933 KZVYEGCAWVLRAI-UHFFFAOYSA-N 449.508 1.553 30 10 IDEE C#CC[C@@]1(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 1175780391 VFIRGHLDQGONFR-MBSDFSHPSA-N 430.501 2.000 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1179522176 SSBHDJNLIDEJDL-CQSZACIVSA-N 443.481 1.433 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CC1 1187353345 IDHDHZFISOPKDE-UHFFFAOYSA-N 446.504 1.459 30 10 IDEE C#CCN(C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)[C@H]1CCS(=O)(=O)C1 1229856885 RUPGYIMTVLAALB-TVFCKZIOSA-N 439.578 1.854 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1286387953 JEVRTILSLGVRBH-IRXDYDNUSA-N 446.529 1.726 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCSC)CC1 1286490021 GBQCCTDJJYSOQI-UHFFFAOYSA-N 444.561 1.725 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNC(C)=O)CC1 1286490725 QGPUAKCWSSASJH-UHFFFAOYSA-N 447.543 1.918 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286490814 SWYZNQMVCPUGJH-HDICACEKSA-N 428.581 1.621 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1286818485 JGSJKBPIGOVOJB-UHFFFAOYSA-N 442.545 1.696 30 10 IDEE CCc1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)n1Cc1ccc(C#N)o1 1293117194 XLWCZYNGLSLCBK-HDICACEKSA-N 439.564 1.980 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1297749211 ITWXHXLCJGPUBO-OAHLLOKOSA-N 448.549 1.593 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1300287240 WMEZHGHGJSDXML-HZPDHXFCSA-N 440.533 1.204 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300394887 YFGUIMNGVLBZOB-INIZCTEOSA-N 435.492 1.611 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496316 PPXYFNXKOSZTFZ-RTBURBONSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1300513627 YAYOOJSHGFUDSY-NFBKMPQASA-N 429.565 1.360 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCN(C)CC1 1300553291 BXEWGNURQPGNBN-UHFFFAOYSA-N 428.606 1.804 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1300557833 YRYUDDGZXNJFOZ-GOSISDBHSA-N 434.610 1.473 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@@H]1C 1300663627 BWSSISBZCVOSBA-WZONZLPQSA-N 436.516 1.757 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1300664010 MUZLYVVVELZNJO-GOSISDBHSA-N 446.621 1.677 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CC=CCC1 1300665052 WYTMEMHFJKLSHN-UHFFFAOYSA-N 433.516 1.942 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCOCC3)CC2)CC1 1300712930 YNIOAISPZMQEOH-UHFFFAOYSA-N 428.581 1.406 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301040949 ILXSVYDJBLMEEE-ATZDWAIDSA-N 436.988 1.913 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(S(C)(=O)=O)CCC2)CC1 1301105354 HSEVBGKJWGQGMF-CQSZACIVSA-N 445.611 1.258 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301612671 OUHWEWQRSLTFRT-RBUKOAKNSA-N 448.637 1.834 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1=O 1301861491 VVXWRGNXUUUGAT-UYAOXDASSA-N 438.532 1.927 30 10 IDEE CN(C)CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1302295952 WMAXIWSSMJPVOB-HNNXBMFYSA-N 442.379 1.531 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)[C@@H]3CCC[C@H]3C#N)CC2)cc1 1302317897 FLRGQODJOVPDBG-AZUAARDMSA-N 446.573 1.759 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCOC2)CC1 1303014300 VGQDIJGHAFMVPA-IBGZPJMESA-N 430.553 1.974 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1303410893 BDBYQDXFHOMRDB-JKSUJKDBSA-N 447.540 1.545 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1314805833 FCYRECYCBWEOES-AEFFLSMTSA-N 437.504 1.668 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2)NC(=O)NC1=O 1324060292 NASQDWABTLDHNO-JTSKRJEESA-N 434.456 1.371 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1358958513 PWASGMAKIHAPDG-LJQANCHMSA-N 449.540 1.534 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1359024331 KULHXAASXACVBM-SJORKVTESA-N 445.486 1.869 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1359044644 LCZLGINKERFGQK-PMACEKPBSA-N 428.581 1.478 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNS(C)(=O)=O 1359066657 JNWYSAKEODSLJE-LJQANCHMSA-N 432.506 1.785 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359144260 CROCVBYDFFLYKJ-IYBDPMFKSA-N 439.925 1.509 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359270922 GIVWIIYBZUOGIZ-BZSNNMDCSA-N 448.593 1.612 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)CC(N)=O 1359296455 JZHXWCWZCCGDIO-LBPRGKRZSA-N 435.326 1.710 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359297293 LRAQRUSSQWKBCS-KRWDZBQOSA-N 426.521 1.561 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@@H](C)C2)C1 1359313134 HKWDLJKODBJGIK-MWDXBVQZSA-N 427.571 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC[C@@H]1C 1359328295 ZEIBZNXRUPPDFX-HNNXBMFYSA-N 436.534 1.788 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1360169328 AMQMGJSPEMXJOW-UHFFFAOYSA-N 439.564 1.771 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)c1 1464098495 TVXMGJWAHLMNHM-UHFFFAOYSA-N 449.573 1.766 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCCCO)CC3)CC2=O)cc1Cl 1465978882 QUQULJGIXOYWSE-MRXNPFEDSA-N 432.908 1.302 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NC2CCN(C(=O)Cc3ccccc3OC)CC2)CC1 1468536272 FXBFKEHTEJBBIU-UHFFFAOYSA-N 442.516 1.717 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)CC1 1471450941 LSFDSGCACRHBIE-KRWDZBQOSA-N 442.582 1.072 30 10 IDEE CC(=O)N[C@H]1CCCN(C(=O)Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)C1 1473062107 GTXZNMJCBVFWQO-QFIPXVFZSA-N 447.539 1.405 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(CS(C)(=O)=O)CCC2)cc1 1475973706 MZDLFNUELMEGGQ-UHFFFAOYSA-N 429.564 1.830 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507589997 UJDCYBSHNHVNBL-UHFFFAOYSA-N 436.607 1.907 30 10 IDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507591847 UBHQKSFXAOVMMK-KRWDZBQOSA-N 436.495 1.953 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2ccnc2C)CC1 1507718092 BACOYADMIMQJDC-HSZRJFAPSA-N 441.580 1.669 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507731184 CLHQGXNUUUKSEK-GOSISDBHSA-N 430.553 1.404 30 10 IDEE C=C(Br)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1507790699 BXQKQQVWBYVZIH-PBHICJAKSA-N 426.315 1.956 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508091637 WBZRDLAXTWYWEB-UHFFFAOYSA-N 438.536 1.058 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1516194804 HLYQHHAWNVRRTI-MOPGFXCFSA-N 426.468 1.442 30 10 IDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1518895053 DVNRYLZJDQWIDY-GCJKJVERSA-N 426.521 1.268 30 10 IDEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519025994 JCHKSPXVGBDFOX-UHFFFAOYSA-N 426.525 1.436 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H]1COCCO1 1519167542 UZPIOJAHMWIZHA-QGZVFWFLSA-N 429.477 1.846 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CCO[C@@](C)(C#N)C2)C1 1536618799 KQECTDOALLVNCH-LEWJYISDSA-N 439.509 1.475 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CCO2)cc1 1538861907 MOPOLHPKHFSIFF-NRFANRHFSA-N 440.525 1.954 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(F)c1 1539013057 HVWPEVIIEOZORI-SUMWQHHRSA-N 439.488 1.395 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1c1ccccc1 1539370727 ZHIBJBPJKWVARO-UFYCRDLUSA-N 443.573 1.874 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2nnc(C)s2)CC1 1539475632 KOZONMSWAHDERY-UHFFFAOYSA-N 436.545 1.709 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1539562629 BXORYWJICNWVKQ-MGPUTAFESA-N 427.534 1.614 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1540906892 GAMOOZAWZSPTDJ-UHFFFAOYSA-N 434.541 1.692 30 10 IDEE CC(=O)NCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1541097295 DWBWQESHYJHGCU-UHFFFAOYSA-N 427.557 1.342 30 10 IDEE Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543274498 YOFDYPKGDSCTPS-AMGRQBIBSA-N 441.467 1.695 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC3(CC2)COC(=O)N3)n1CCN/C(O)=C1\N=CC=CC1=O 1545454538 WLYPMBMMSBDIOT-ZFDMEJTGSA-N 443.508 1.397 30 10 IDEE N#CCC(=O)N1CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1545534564 LPWRLCOQJPIYJU-UHFFFAOYSA-N 428.308 1.197 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@H]1CCOC1 1555742569 IDPANXLDEMEWNF-WKRCXCSHSA-N 437.516 1.887 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1555794156 JILKQYWRJPHGFU-HOTGVXAUSA-N 432.506 1.146 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(N3CC[C@H](O)C3)CC2)C1 1557567790 LYCNFUXLWJRSSL-SFHVURJKSA-N 433.350 1.815 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC2(C#N)CCOCC2)C1 1565335514 AFAMRJQWTBKNTI-OAHLLOKOSA-N 444.554 1.030 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1566231307 FMTQYZAFRJWTPN-INIZCTEOSA-N 437.541 1.511 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 1568994944 HWALNPUCDKVGRW-UHFFFAOYSA-N 430.280 1.015 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)CC1 1570205578 SRYLYMQOVRHFSW-DLBZAZTESA-N 426.535 1.051 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(C#N)nc1 1585725395 IJCUAHINOWUBGC-GDBMZVCRSA-N 440.422 1.876 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(OC)CCOC1 1587568954 TZIONXIHZCGWMR-YCRPNKLZSA-N 446.577 1.810 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1588181630 YQOZZQKWNLOZTC-KRWDZBQOSA-N 441.557 1.472 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588629085 XCQUROZTTHGLQZ-UHFFFAOYSA-N 429.525 1.632 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1588646010 FSMABONRYPGZIZ-SFHVURJKSA-N 434.566 1.170 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CCC(=O)NC)CC1 1588961674 ICQCIAHKMQAHLY-UHFFFAOYSA-N 436.560 1.555 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1588974835 CUXANYFSYNXLMS-UHFFFAOYSA-N 444.609 1.623 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC(N)=O 1589007715 OWLNMSYDSVAHBR-AWEZNQCLSA-N 435.575 1.415 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1589110229 RGEFBJUUGTUFGI-DYESRHJHSA-N 433.578 1.541 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1589216816 YAQWZPXKJRABGT-PGRDOPGGSA-N 447.605 1.965 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1595467280 QXJFNLDZDOVNTH-OAHLLOKOSA-N 449.556 1.212 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1598207440 BQXYBHSCMLVSCX-QGZVFWFLSA-N 435.521 1.757 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCOC1CCOCC1 1618762546 RTFXOTFJCCQMGQ-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE N#C[C@@]12CN(CC(=O)NCc3cccc(OCC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1620611405 RSQHNJLXYHQMCO-YOEHRIQHSA-N 431.436 1.114 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1625996011 BPZKNMXJOZOAPL-HXUWFJFHSA-N 439.491 1.262 30 10 IDEE C#CCN(C(=O)Nc1ccc(-n2ccc(C(=O)OCC)n2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1626851907 KQNQIPNEXRUECV-OAHLLOKOSA-N 448.476 1.842 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)s1 1628926928 ZAEABKIYODLYNA-UHFFFAOYSA-N 443.934 1.906 30 10 IDEE C=CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 1635151568 JHSAMJBIPXVGKI-UHFFFAOYSA-N 435.546 1.083 30 10 IDEE COc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)cc1C#N 1636068409 DAMURCFUPSVTFX-QGZVFWFLSA-N 445.497 1.747 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 1640588341 IWPCLXQJAULUKU-HXUWFJFHSA-N 425.457 1.267 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 1648188316 CLEVLGVYWORFMQ-NRFANRHFSA-N 439.541 1.394 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ncc(Br)cn2)s1 1651786378 OBDYULVZRSDIBO-UHFFFAOYSA-N 445.364 1.966 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 1653549974 OKEGXHKWMCBFPM-YJBOKZPZSA-N 430.505 1.930 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(OCc3cccc(OC)c3)cc2)CC1 1660574708 LCKWJWPPCHPEKD-UHFFFAOYSA-N 429.542 1.859 30 10 IDEE C=CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1664099078 XOKVHSYGGNXLTR-HNNXBMFYSA-N 426.491 1.705 30 10 IDEE COC(=O)c1ccc2[nH]cc(C3CCN(S(=O)(=O)N4CCO[C@H](C#N)C4)CC3)c2c1 1664334231 BIZKZOHGTRRPKZ-MRXNPFEDSA-N 432.502 1.603 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc(O)c3c(n2)CCOC3)cc1 1667321905 IYHHDRXGQFYONO-UHFFFAOYSA-N 433.490 1.383 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC1 1668136891 GWUDLHDOJRBVIJ-UHFFFAOYSA-N 431.474 1.149 30 10 IDEE C[C@H](COc1ccccc1C(F)(F)F)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1677747507 HFIFGMQCEUCCQW-LLVKDONJSA-N 425.367 1.606 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1678717325 CAMHONBJHRKOIJ-UHFFFAOYSA-N 441.472 1.535 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(CNC(=O)NCCn3cnc(C#N)n3)cccc2C1 1682389411 MFYBDKPZVJXNLH-UHFFFAOYSA-N 425.493 1.942 30 10 IDEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1685295111 BPADPGCIAZVOGY-KDOFPFPSSA-N 428.518 1.213 30 10 IDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1685349382 DVTVQIJUEOTQBK-UHFFFAOYSA-N 446.526 1.308 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1689829354 XMUYAYDUYPYOLR-OLZOCXBDSA-N 426.930 1.474 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 1689852862 LUAUUUJSKORPPX-IAGOWNOFSA-N 439.582 1.276 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1690003831 ZILMFKTVKJTZEA-OIBXWCBGSA-N 428.533 1.731 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1690020035 XLWAXDWWZDCMNU-QGZVFWFLSA-N 439.607 1.073 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1690237290 XIHWVJJAIOSSFD-DNVCBOLYSA-N 441.536 1.054 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690512057 KZNSYQIYRJHFAH-UTKZUKDTSA-N 435.525 1.552 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690667741 GFGQMXZOZAEPIM-HNNXBMFYSA-N 437.508 1.217 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690731537 LBHHGHPUNZJSQY-FUHIMQAGSA-N 442.582 1.127 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCO[C@H]1CCOC1 1691871685 XYFMXXRUZVKXCI-MSOLQXFVSA-N 440.552 1.974 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693791065 KSRYOXMTSGTRHE-JPWUFHEYSA-N 443.895 1.745 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N(C)C 1694329315 KLQVRGDNMBIIBN-AWEZNQCLSA-N 440.552 1.682 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1694352631 CVMXCWNUFKDKQN-AEFFLSMTSA-N 431.541 1.184 30 10 IDEE CCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C#N)o1 1694747937 VXWRPBVLCZMNOJ-FQEVSTJZSA-N 427.553 1.585 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1694783509 FWACASBKMZCMIT-UXHICEINSA-N 437.548 1.378 30 10 IDEE CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1696997379 GDKPDTWIERCUIN-MSOLQXFVSA-N 444.499 1.805 30 10 IDEE C=CCOCC(=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]1c1ccc(OC)cc1 1702756702 PRPJXFPTAMPSGS-FIQGOXITSA-N 426.513 1.732 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@H]1C 1705516832 JQOYKDKFIXTLET-IKGGRYGDSA-N 441.623 1.745 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1705563807 FZFKNWQLADYVLQ-KRWDZBQOSA-N 444.586 1.918 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1705573939 QWAVYIWWLMYSJZ-CQSZACIVSA-N 437.472 1.611 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1705595649 ANHZXZZTZGSMTO-UHFFFAOYSA-N 440.511 1.631 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705700044 OBXSUESCXBQARU-BJLQDIEVSA-N 444.580 1.905 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)N(C)C)C1 1705924240 VCJHWTUVZHOCAE-SFHVURJKSA-N 437.541 1.681 30 10 IDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1706201872 BVOWEYSSKLVLAD-UHFFFAOYSA-N 446.515 1.408 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1706603481 UIBNQZWQGVEYPW-FOIQADDNSA-N 429.504 1.261 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1710887978 ZVYWQANCMPRALE-MRXNPFEDSA-N 438.579 1.331 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1711317776 FAEWWSCKYRFCDN-AUSIDOKSSA-N 438.532 1.975 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1722275158 CERJTDGPCHQYCH-CVEARBPZSA-N 429.550 1.786 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1722316950 OXMGJTJFBHALRK-QGZVFWFLSA-N 433.578 1.575 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1722353053 RNQJOMTZGJXCII-LSDHHAIUSA-N 425.555 1.505 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)CCCOC)[C@@H]1CCS(=O)(=O)C1 1722358384 GOMWCFWOPFPRBA-QGZVFWFLSA-N 425.599 1.171 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1722359653 VLPGWWTULCGDSJ-XLAORIBOSA-N 433.578 1.479 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1722391331 KPWPENNKVPMPKV-RUZDIDTESA-N 447.539 1.727 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1ccnn1 1722400744 YGGWSFUYOSLZCF-UHFFFAOYSA-N 444.547 1.597 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1722418841 FLKBUYDIQGJQSL-KRWDZBQOSA-N 434.504 1.471 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc(Cl)cn2)CC1 1722433153 NBBRMJNUYPQCEK-OAQYLSRUSA-N 447.971 1.624 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](F)COC)CC1 1722449114 MNHGTASEQHOKOS-LJQANCHMSA-N 443.523 1.828 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722527588 OOMJDCPERQKDEM-JTSKRJEESA-N 442.520 1.902 30 10 IDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722533167 JULPTEUXXGYROU-UHFFFAOYSA-N 427.553 1.890 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722535149 ADEVIHVRWQRYFS-HXUWFJFHSA-N 446.596 1.542 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722535195 BFUMCCAEOGHERG-GJZGRUSLSA-N 447.517 1.976 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722727068 LDKMHAPOLBRZEZ-UHFFFAOYSA-N 446.577 1.877 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722738263 DSCYNTXTEFSFQZ-MISYRCLQSA-N 448.637 1.690 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 1730417669 BFLMHBYIYUWZFI-UHFFFAOYSA-N 435.463 1.694 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1730900238 JIUNIBYSASPKTP-VQTJNVASSA-N 427.505 1.864 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1740628249 WUVCFIOYPGHZFY-HNAYVOBHSA-N 426.608 1.361 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1740629276 IAEVGUCMNMKIHW-APAFKAMOSA-N 436.578 1.846 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1740638383 LEJANPDMQOXCQX-SFHVURJKSA-N 446.511 1.460 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1740709502 IBTIBSDLEHUPHY-UHFFFAOYSA-N 440.573 1.877 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1740794938 KXMQKVPLYRSWFJ-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740884774 MLUQWWLKXXMWMA-AWEZNQCLSA-N 439.442 1.833 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1740932149 IAFBSBJETNRVDQ-SFHVURJKSA-N 429.546 1.767 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCCS(C)(=O)=O 1740956362 KNYCVTCNGNKSFQ-UHFFFAOYSA-N 443.932 1.911 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740962610 JHOWOHRRZGGTMC-UHFFFAOYSA-N 430.582 1.663 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)NC)CC2)cc1 1740965841 FKEVEMVGNTYUHS-UHFFFAOYSA-N 436.520 1.753 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741114726 ZEPJHTWJFVTNIV-UHFFFAOYSA-N 434.504 1.966 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1741994232 NWFUJWQUUHIJDK-YFHUEUNASA-N 430.553 1.840 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@](C)(O)c1ccco1 1747187837 GHEPBMCQDIWAFP-JOCHJYFZSA-N 437.504 1.909 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1748665953 YAROEBXKPSSPLH-INIZCTEOSA-N 435.532 1.905 30 10 IDEE C#CCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1748703541 SISGZVXGOLGWDK-KRWDZBQOSA-N 426.908 1.549 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1748891686 DCSGDPZXWDBZSO-LJQANCHMSA-N 430.574 1.850 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1748892917 XYVIFBFZXXOBRG-FQEVSTJZSA-N 448.552 1.877 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749039528 WEIBIELFGKWKPG-SFHVURJKSA-N 433.578 1.224 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749126591 FADJXDSXGNSDFC-HBFSDRIKSA-N 438.532 1.946 30 10 IDEE CO[C@H]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749157430 CJNZCODFPLDTQR-OALUTQOASA-N 444.561 1.713 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)N(C)C)C1CC1 1749519647 ONWCFTWCRWODIQ-ROUUACIJSA-N 438.598 1.106 30 10 IDEE C=CCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 1749685242 BUYIWUNZPMFTSX-GOSISDBHSA-N 438.532 1.237 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@@H](C)CC#N)CC1=O 1749861741 FTEMELSZYZWRJL-HOTGVXAUSA-N 440.504 1.907 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1750215135 POKJKDAHSZKRHY-OALUTQOASA-N 444.561 1.761 30 10 IDEE Cc1ccccc1-c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1751665006 VCJWYJBXIQMYMS-UMIVRTMYSA-N 449.515 1.447 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CC=CCO2)c1 1760128659 OROBAMOZHTWWQN-RTBURBONSA-N 434.500 1.631 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760136239 FGEGLZNJOBWLOP-IRXDYDNUSA-N 433.520 1.409 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1760211366 GJVNBJPPPVLTAR-WIYYLYMNSA-N 434.562 1.216 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1NC(=O)CC1(C)C 1760244813 HYNVLIYCOALMBK-QGZVFWFLSA-N 426.477 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2F)CC1 1760265166 QCXJFBDPPMSKPS-UHFFFAOYSA-N 440.523 1.764 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)O)CC1 1760271212 PYVAZZGXXKHIAP-UHFFFAOYSA-N 425.533 1.636 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCn2cncn2)CC1 1760271443 YBFYQSMHLPRSCR-UHFFFAOYSA-N 432.532 1.321 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760407568 HNQBNFQUCRRULC-UHFFFAOYSA-N 431.585 1.419 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760527421 WMJCJZVHECSIOI-UHFFFAOYSA-N 429.613 1.528 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1760558573 SVHHKZCDPOCIOD-BFYDXBDKSA-N 441.598 1.498 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ncn(-c2ccccc2)n1 1761462809 ASAXQEUYOHZRQB-HUUCEWRRSA-N 443.537 1.256 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)COCCO1 1761569019 ARUWOIDPLFXPJH-GHTZIAJQSA-N 445.545 1.636 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1OC 1765993812 VCFORIYBHVZVEC-VGOFRKELSA-N 443.504 1.887 30 10 IDEE COc1ccccc1CN1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CC1=O 1851529539 CTDMLNHORWLHGJ-ZDUSSCGKSA-N 447.435 1.914 30 10 IDEE N#Cc1ccc(N2C[C@@H](OC(=O)C3CN(C(=O)COc4ccccc4F)C3)CO2)nc1 1852841960 SBBOVVZXIFHVKP-MRXNPFEDSA-N 426.404 1.293 30 10 IDEE Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854642583 SJLQDOLHIHVYRJ-INIZCTEOSA-N 427.482 1.694 30 10 IDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1855492661 SMQWQVCBHNSDOL-KRWDZBQOSA-N 432.546 1.695 30 10 IDEE N#Cc1cccc(C(=O)Nc2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccn2)c1 1860530031 ZONXKBCDNGJXSL-UHFFFAOYSA-N 435.465 1.783 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)CC1 1889404205 QISUARYXMBBMNU-NRFANRHFSA-N 438.572 1.298 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCN3C[C@@H](O)C[C@H]3C2)CC1 1890970963 SMAXGQDIAPQJGQ-HOTGVXAUSA-N 427.530 1.769 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1985786345 KIQYKHNSXIITBC-HUUCEWRRSA-N 428.530 1.965 30 10 IDEE CC1(C)OB(c2nc(=NC(=O)Cc3cnn(Cc4ccccc4)c3)s[nH]2)OC1(C)C 2001618637 REWXZKGTDOIIIH-UHFFFAOYSA-N 425.323 1.685 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c1 2040470084 CTCHMVMGMDXOJI-QFIPXVFZSA-N 428.510 1.849 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073753785 FUDDYTWOGDUEPA-QKKBWIMNSA-N 437.346 1.712 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H]1CCCO1 2124532628 LBSFPPYSDNLJEO-GJZGRUSLSA-N 448.329 1.787 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243384519 RHJZGAHVDGLUBV-CYBMUJFWSA-N 426.344 1.663 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2247581199 IWKRWHNDEUQMTI-OJLPUSQMSA-N 437.537 1.637 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248402894 BXTJVHGBNIHTNV-WFASDCNBSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2255598436 WQGPQRJVUFIAPV-NWANDNLSSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255791081 IIQVIVQXAYGWFK-CQSZACIVSA-N 438.305 1.740 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2255873400 KVXDSNJTXMXEKQ-LSDHHAIUSA-N 435.330 1.346 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267267507 KRNDTEUAMYVTGG-GFCCVEGCSA-N 442.247 1.307 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2267269507 FJFHPZZHEKZVCI-ASSNKEHSSA-N 447.345 1.244 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2269068946 SBYWKYYABFQCMJ-INIZCTEOSA-N 443.309 1.509 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=[S@]3(=O)CC[C@H](N)C3)cc2Cl)OC1(C)C 2282316787 HZDQAISIFLWDGB-USOBGDSLSA-N 440.805 1.588 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2317605965 QIOAULXFRZOUAW-CQSZACIVSA-N 435.330 1.650 30 10 IDEE CS(=O)(=O)C1(C#C[C@]2(OCC(=O)O)CCN(C(=O)OCc3ccccc3)C2)CCC1 2367784630 BVSROEIXNQKCQX-FQEVSTJZSA-N 435.498 1.840 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)cc1 33021226 RNFUNFJEJLXJHR-HNNXBMFYSA-N 440.481 1.929 30 10 IDEE C=CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O 35969020 KNDRSHOMWOGGGD-JOCHJYFZSA-N 449.486 1.928 30 10 IDEE C[C@H](C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)n1cnc(C#N)n1 409475307 NDQOHBDYIZQYJE-VXGBXAGGSA-N 432.282 1.746 30 10 IDEE Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1S(=O)(=O)NCC#N 436237330 HRDIMFLILMQLJS-MSOLQXFVSA-N 432.546 1.708 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 441473213 DEPJPGZCGOSOCV-LLVKDONJSA-N 429.424 1.636 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cn1 461747746 IJAQWIVHYLEVAJ-UHFFFAOYSA-N 430.472 1.601 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1C 465118757 FWWFIMOQVKKZRO-QGZVFWFLSA-N 442.545 1.323 30 10 IDEE CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nnc2ccccn12 481524232 ZIDZKQZJEDWMAZ-KSSFIOAISA-N 426.502 1.781 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC[C@@H]1CS(N)(=O)=O)CCCC2 495057970 HKVKCZKAHVJESJ-HZPDHXFCSA-N 449.577 1.109 30 10 IDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 506476584 IEKSWJHKVKZELM-UHFFFAOYSA-N 431.445 1.819 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCO2)CC1 514878650 VETFXCOKBKIXHF-IAGOWNOFSA-N 425.555 1.337 30 10 IDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 544748689 KRDRLNSXSDPVRP-UHFFFAOYSA-N 432.612 1.527 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2C[C@@H]2CCCO2)cc1 561019649 COLACPGSXDNXLA-SIKLNZKXSA-N 425.489 1.903 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3C[C@H]3CCCO3)CC2)c1C#N 571421264 LXEOPXIGOCAIRP-GOSISDBHSA-N 433.520 1.759 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 576535462 RATRPBAOSVRBDS-UHFFFAOYSA-N 433.578 1.402 30 10 IDEE COc1cccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 585824435 REUGIICBCMNVOH-ANJADALCSA-N 447.491 1.811 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCN1CCOCC1 588152570 ZOOPXVAZSLNGAQ-AWEZNQCLSA-N 446.598 1.125 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)c2cccc(Br)c2)c1 589483346 CTMPZNOWOPIDBH-INIZCTEOSA-N 438.303 1.449 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 603989831 KBAHVRLHZCHVGD-CYBMUJFWSA-N 433.511 1.787 30 10 IDEE C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(S(N)(=O)=O)cc1 608782644 MNABWZUFQKCLND-AWEZNQCLSA-N 431.493 1.938 30 10 IDEE COC(=O)c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 609453177 AQRSPPIQEGTJKD-UHFFFAOYSA-N 441.509 1.811 30 10 IDEE O=C(CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)NCC#Cc1ccccc1 612173741 FNEFMUUTVIZQJI-UHFFFAOYSA-N 449.326 1.970 30 10 IDEE COc1cccc([C@@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N2CCCC2)c1 732441826 HQWHJMHHFCKVAV-PNBGARPFSA-N 427.505 1.658 30 10 IDEE N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CCN1C1CC1 732664546 LHJZOIKEROMTNR-ZDUSSCGKSA-N 431.345 1.861 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 739835516 AERJLSAEKUWAFQ-UHFFFAOYSA-N 437.529 1.552 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc([N+](=O)[O-])cc3C)c2=O)c1 758072207 SJVAOYRBVFNPKZ-UHFFFAOYSA-N 444.472 1.346 30 10 IDEE C#CCN(C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 774033568 BMPMMUNXTIYVHA-ZDUSSCGKSA-N 427.408 1.940 30 10 IDEE COc1cc(C)nc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 776758508 SBDCKUOUCUKDBU-UHFFFAOYSA-N 435.462 1.774 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1cc[nH]n1 789995802 UIBAITJFQMAWNE-QFBILLFUSA-N 435.431 1.533 30 10 IDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(CCSC)c2=O)cn1 793469523 RBQYOJGEWPACOK-UHFFFAOYSA-N 435.534 1.765 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1 797320663 GIESTIUTSRAQOJ-HNNXBMFYSA-N 429.539 1.932 30 10 IDEE CC(C)Cn1c(CCC(N)=O)nn(CN2CCN(c3ncccc3C#N)CC2)c1=S 798229342 XCHLHKPIZXBNFX-UHFFFAOYSA-N 428.566 1.534 30 10 IDEE Cc1ccncc1N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 799057732 TUWNXTGNRCQIEG-INIZCTEOSA-N 427.530 1.556 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1F 801155271 HEZXCRKDESYZMN-ZPHPHTNESA-N 438.481 1.112 30 10 IDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1ccc(F)cc1 812750350 SRSVCFLUPXEYID-NRFANRHFSA-N 443.500 1.783 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 813563903 PYUGUTJWJKKANC-NHYWBVRUSA-N 441.504 1.099 30 10 IDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 814613902 WPQNZEPNSSYHAW-UHFFFAOYSA-N 437.474 1.449 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCN(C(C)C)C[C@@H]3c3cnn(C)c3)CC2)c1C#N 849580589 BPADNPHLFJADLK-TZIWHRDSSA-N 438.580 1.496 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)n1 849590083 WPHZKPJQGRCXPD-FCHUYYIVSA-N 426.565 1.739 30 10 IDEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 917768157 YUXSVMUXFMYREN-UHFFFAOYSA-N 444.509 1.064 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@]3(C#N)CCCOC3)C2)CC1 1136343774 JUVWOKSMXFMVIM-VGOFRKELSA-N 434.537 1.625 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 1136449601 NKPSBCBXNZQGET-UHFFFAOYSA-N 441.532 1.480 30 10 IDEE CCOC(=O)CON=C(C(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1)c1cc[nH]n1 1136514372 DIUXVPTVCLZDHU-UHFFFAOYSA-N 427.461 1.244 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccccc1 1141817661 ANGKRHOFEPOPOR-CWFSZBLJSA-N 441.509 1.640 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1146247195 IXHXDUSUBLZEEU-UHFFFAOYSA-N 436.530 1.249 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CC1 1150000766 PHFMHNSTAZRVIV-QGZVFWFLSA-N 429.546 1.523 30 10 IDEE CC(C)(C)OC(=O)NCCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1156669421 BFZFKNRJQOXNBR-SGTLLEGYSA-N 440.547 1.221 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1176172999 MTLJJDDSAJUDAF-HZPDHXFCSA-N 425.526 1.906 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(Cc4c(C#N)cccc4[N+](=O)[O-])CC3)C2=O)n(C)n1 1193308819 INFTWTBFODNFCY-HXUWFJFHSA-N 437.504 1.822 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCC(n2nncc2I)CC1 1196125974 VEXYHLDFPIPYBD-GFCCVEGCSA-N 430.294 1.528 30 10 IDEE N#C[C@]12CN(CC(=O)NCc3ccccc3COc3ccccc3)C[C@H]1CS(=O)(=O)C2 1198336326 HVWFGQFSMHRXJI-NZQKXSOJSA-N 439.537 1.752 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)CC1 1204982244 RAQHDUDOSNIZEB-MRXNPFEDSA-N 430.505 1.214 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCCN(CC)CC)c2)CC1 1220390677 KWQMVYOTSQBAAX-UHFFFAOYSA-N 437.566 1.024 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)CC2)c1C#N 1251501201 ODMXXKCWSYECIC-OAQYLSRUSA-N 438.580 1.801 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)C1CCOCC1 1253347971 KGETYIGIYBBBRU-OAHLLOKOSA-N 445.463 1.548 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C1CC1 1286278102 ADXHDYZZZLRYGW-HNNXBMFYSA-N 444.561 1.180 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286323703 LXSRBWCHSPLBKX-IRXDYDNUSA-N 437.566 1.699 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1286389388 JDLAUGSKYNOSRP-DOTOQJQBSA-N 431.518 1.114 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(C)(=O)=O)CC1 1286491000 AEUZSTZUKAICFD-UHFFFAOYSA-N 447.536 1.018 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCOC2)CC1 1286492396 JXUMSPPZCOOSRS-IBGZPJMESA-N 439.564 1.532 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1286512001 QBORVSDYLMURMU-UHFFFAOYSA-N 443.573 1.827 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1286516671 KIPLAVGPIANRFY-FOIQADDNSA-N 446.581 1.247 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)NC 1286521002 YSEURHZDWGHVLC-OAQYLSRUSA-N 447.561 1.894 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1286705821 FWCRFZVBPOTAGV-UHFFFAOYSA-N 439.520 1.625 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1286742980 SWWNBXDKNJWQNX-MRXNPFEDSA-N 444.561 1.868 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCOCC1 1286743943 YPONCCCIFZBYQH-KRWDZBQOSA-N 449.577 1.622 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC(N)=O 1286780235 RTDJWRFAPLPADS-NSHDSACASA-N 438.330 1.048 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1 1286784324 DSJCTNUEKHXQCO-IBGZPJMESA-N 447.337 1.712 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1286791478 TZDKLZLYKKBUQQ-OAQYLSRUSA-N 433.459 1.445 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCSC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286792733 GNZZBASLQCLZCH-SFTDATJTSA-N 435.594 1.954 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1291802322 BGLQJXLVJDEBCP-CVEARBPZSA-N 436.524 1.821 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)COCCc2ccc(Br)cc2)CC1 1292889602 HPBTXUCEHKYTGU-UHFFFAOYSA-N 436.350 1.292 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300356209 AFYOSAOSLFJVEE-OAHLLOKOSA-N 448.549 1.327 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300485190 YDKRDRKZJYATOU-WOJBJXKFSA-N 439.541 1.868 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)CC1 1300699302 AXUOVCPLFSFZEY-WOJBJXKFSA-N 448.637 1.057 30 10 IDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCN(C(C)=O)CC2)CC1 1301097179 QUTGCTCNXJDROJ-PMACEKPBSA-N 432.569 1.323 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301447310 BJVBASJEMCTYLE-KSFYIVLOSA-N 440.552 1.710 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(F)F)c1 1301497706 BBWAVRVSCNLBSA-HNNXBMFYSA-N 434.447 1.769 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N2CCOCC2)C1 1301543690 OTACKXOCFICFFQ-MZKRTTBSSA-N 449.596 1.821 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)cc1 1303420085 BTRKNLVXHYZJJQ-GOSISDBHSA-N 441.509 1.709 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1303974322 ICNANIUFRXTWFO-KIJUOZEOSA-N 430.509 1.314 30 10 IDEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccc(Cl)cc1 1307379229 VVLCKQXVZADPJZ-CYBMUJFWSA-N 446.891 1.754 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1313479715 YSRXMSAVYHTUNP-QZTJIDSGSA-N 440.504 1.093 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1316265311 XTLNWUAJKNTODE-WOJBJXKFSA-N 427.505 1.864 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358963125 CDXDPXSGEPWKNJ-WOJBJXKFSA-N 428.558 1.960 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC1 1359024155 GKVHENKIHXVGEF-SFHVURJKSA-N 425.537 1.575 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1359031358 ZELATQDJLOOFHJ-VQIMIIECSA-N 445.486 1.653 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1359032729 AVVAASOTIMKAFT-WJOKGBTCSA-N 443.573 1.629 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCCC)CC1 1359035274 PPIXALJFYYZJPD-VQTJNVASSA-N 427.597 1.639 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359136364 HKBHANBRIPQRHG-FGZHOGPDSA-N 433.553 1.628 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359149441 ADYNQAGMVPSJAI-KGLIPLIRSA-N 427.900 1.358 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1359165617 SOSWGEVDPZHUTH-KRWDZBQOSA-N 432.506 1.280 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359208813 UYSLKCDFLMSDFM-HUUCEWRRSA-N 442.586 1.958 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)nc2)C1 1359311237 VSTCFZOWSRYWDH-GOSISDBHSA-N 425.537 1.805 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359624523 BSAGRQSAEJWXHF-DYTRJAOYSA-N 441.536 1.423 30 10 IDEE CC(C)NC(=O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1360298473 YQJYCCDCJKBWSB-OWCLPIDISA-N 447.540 1.302 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1450276233 ZKDNKWUQUFOFIX-INIZCTEOSA-N 447.469 1.004 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)C(CC)CC)CC2)s1 1453879229 XWMZNBBJHRJMSU-UHFFFAOYSA-N 427.592 1.862 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N(C)CCc3nc(O)c(C)c(O)n3)ccc2c1=O 1456241570 QZRTYUBYPMYQQG-UHFFFAOYSA-N 427.486 1.696 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)cc(C)cc2Br)CC1 1465873375 UVRQAKXVZOVXJM-UHFFFAOYSA-N 429.340 1.683 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)C1 1471833349 VYTUKPRJIGVSMQ-QGZVFWFLSA-N 431.514 1.793 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)nc1 1479153758 VICCVHLIPHQCPV-UHFFFAOYSA-N 433.472 1.037 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1503830005 HHTLPYACWCIHPL-INIZCTEOSA-N 430.534 1.371 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CCN1CCCS1(=O)=O 1504886354 ICDSPVHRULXABZ-UHFFFAOYSA-N 433.538 1.051 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1507667484 NEPHIURUQQOHLA-DLBZAZTESA-N 432.484 1.597 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1507935649 SVTWAJSSGOGEKK-OWCLPIDISA-N 432.612 1.794 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507956532 AVEYQONXWYTXKI-OTWHNJEPSA-N 433.553 1.796 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NCCC)C1 1508118992 TVAJEXJNMTVWKW-HNNXBMFYSA-N 430.509 1.703 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1508147300 IIOFZSMDNKZRFA-FQEVSTJZSA-N 449.581 1.150 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1516587827 AOCGPIMBHQPKOR-QGZVFWFLSA-N 444.561 1.448 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C(C)C 1517449401 BQGVEYVTGFMWQE-MRXNPFEDSA-N 425.537 1.797 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1517575557 BIGQHTVIWOLFGT-LJQANCHMSA-N 425.537 1.236 30 10 IDEE C=CC[C@]1(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1519798639 FWLOYQCWUIYTEC-PDSXEYIOSA-N 425.526 1.905 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1521095010 HXJKSHVKNCFEGX-ZZEZOPTASA-N 435.513 1.896 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1521143262 HZANFGNHGFOADD-HXUWFJFHSA-N 433.509 1.764 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1ccc(C#N)cc1)n2C 1528527150 HBVBNSXLDJRAPM-UHFFFAOYSA-N 439.541 1.987 30 10 IDEE C#C[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccc(F)cc1 1535460248 VRKMYCIPHMUTCB-LDBYXDLTSA-N 436.505 1.898 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)O1 1538456926 NCVRCXPGFLRZCZ-SMMRIJLZSA-N 447.919 1.986 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539053389 QVMQHTIFCUWJPB-QAPCUYQASA-N 448.597 1.742 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1539206560 RHYAIHSETNTIGM-SJORKVTESA-N 447.948 1.504 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=C)Cl)CC1 1539467543 URUMDCFAXODJJY-UHFFFAOYSA-N 427.896 1.644 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539699774 FXVWNUYSUREZMZ-AWEZNQCLSA-N 436.538 1.348 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1539774904 GRNMKUNYFISTRW-CYBMUJFWSA-N 446.002 1.732 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC(N)=O 1539793258 AXYJHJMPLTZWIJ-GFCCVEGCSA-N 425.946 1.691 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1540035396 BKGCIDIKONMCSD-SFTDATJTSA-N 432.613 1.979 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1540201407 SPQLLEVWGFRKKC-IAGOWNOFSA-N 448.545 1.659 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540874168 XGTJBQGIDDPUIF-NRFANRHFSA-N 438.576 1.524 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1541803936 OEAMTTAZKBLEKL-ZHRRBRCNSA-N 437.552 1.669 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1547795716 MSEYOVLZBFRDCP-JOCHJYFZSA-N 440.504 1.901 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1(C)C 1557043539 HRAKIKIVESFBSM-UHFFFAOYSA-N 436.534 1.583 30 10 IDEE COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1557133603 QTWBKQLOHFTFOU-WMZOPIPTSA-N 442.541 1.876 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1558111029 XUCXQLZWFBYUGM-ZDUSSCGKSA-N 438.440 1.487 30 10 IDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1561641240 GZHYUAIOTLWNGM-SNVBAGLBSA-N 435.239 1.101 30 10 IDEE C#CC[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OC 1561641653 VBAUFWLGMNXNBC-MRXNPFEDSA-N 428.532 1.013 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1587975051 KWZGVJMTYCJCNO-VQIMIIECSA-N 436.516 1.796 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1588214501 UQURRUIKHJQUBE-QFIPXVFZSA-N 437.573 1.406 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCO2 1588574417 HHWICWPQGFEXLJ-UHFFFAOYSA-N 434.456 1.788 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOc2ccccc2)CC1 1588924345 ZUQFVVFVJVVKCU-UHFFFAOYSA-N 431.500 1.780 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1588929757 GANMOMHCOZKUOH-ABSDTBQOSA-N 429.565 1.951 30 10 IDEE CSC1([C@H](C#N)N(C)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 1597813194 QRPXREZVDLTBSQ-VIFPVBQESA-N 425.312 1.139 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCCCC3)c(C(=O)OC)c2)C1=O 1597993660 QVPGZCHXCUNUHE-UHFFFAOYSA-N 428.445 1.379 30 10 IDEE COCC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1611164149 CIJSSKGRFNVTIO-YWZLYKJASA-N 441.550 1.047 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1611817246 ZTXKRNKCZXDXOV-JKSUJKDBSA-N 448.549 1.640 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CC2)c1 1617706629 LGPQWZZGRUUEIW-UHFFFAOYSA-N 444.561 1.850 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COc2ccccc2O1 1619911873 JSUPIXIDTVZPAZ-JKSUJKDBSA-N 426.477 1.436 30 10 IDEE CS(=O)(=O)CCCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1620161783 WOHGXODMKYHXIM-KRWDZBQOSA-N 435.525 1.952 30 10 IDEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1F 1621753178 HNCMVCCZXTVRBP-UHFFFAOYSA-N 433.889 1.502 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 1623730780 ZCAGRGFYBVKIBX-INIZCTEOSA-N 444.507 1.926 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)C(=O)OCC 1624303824 NLZZEISXQSCGHH-QMIVOQANSA-N 430.423 1.986 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)CC1 1627790470 OTOHSTYREPFECB-AOMIVXANSA-N 442.560 1.933 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)Cc1ccc(F)cc1 1638422745 HGBDSUALJFIPKJ-MJGOQNOKSA-N 447.532 1.999 30 10 IDEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1640585524 UIWYJRYRWKFYLW-INIZCTEOSA-N 425.551 1.078 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1643543347 OPPHXUKIBLIANI-QVKFZJNVSA-N 428.526 1.778 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOc3ccccc3[C@@H]2C(=O)OC)c1 1664596054 MVNCOTUABQEHRJ-LJQANCHMSA-N 430.482 1.900 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1673802659 KDXOERVEJDQJHN-JYJNAYRXSA-N 431.555 1.301 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)C1CCN(C)CC1 1682389657 NUVDFNXNEJVEES-HXUWFJFHSA-N 428.533 1.544 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)s1 1683288579 WVVHWOJHRPLJHW-UHFFFAOYSA-N 430.515 1.712 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1684245955 AKKHFTCSJZOAOX-CVEARBPZSA-N 425.526 1.946 30 10 IDEE CC(C)C[C@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C(=O)NCCN(C)C 1686929575 MOMXPPIUDTVXPS-QFIPXVFZSA-N 442.608 1.914 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1689908028 UPMUSVJVIMPSGQ-INIZCTEOSA-N 428.541 1.658 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1689986454 QJWWIIGQWDXUPJ-INIZCTEOSA-N 441.517 1.291 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1690026568 FBYPAJKXLXUZEG-UHFFFAOYSA-N 445.571 1.828 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(=O)NC)c2)CC1 1690375348 HZKIYCUNMXXHPG-LJQANCHMSA-N 443.573 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690668127 UCRMEGWTNYVOJK-UHFFFAOYSA-N 425.537 1.425 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690673802 FGVPQGZUPRSREK-QHCPKHFHSA-N 436.491 1.803 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)C1 1690699789 JAVVOVOEOWPNHH-SJORKVTESA-N 434.566 1.360 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690752391 GVJMHHFIZXIHKV-MRXNPFEDSA-N 429.612 1.909 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCO[C@@H]1CCOC1 1691871686 XYFMXXRUZVKXCI-QZTJIDSGSA-N 440.552 1.974 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1692889039 MFMIEDQYZOXVHK-NRFANRHFSA-N 443.483 1.678 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C 1693831151 GYTAQQHCNBUEMX-IYBDPMFKSA-N 432.550 1.712 30 10 IDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1693854529 GCYLKDSJVAECDP-ICSRJNTNSA-N 440.548 1.801 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694038742 RDNNKHKADQQLDD-JMOCTVHBSA-N 429.525 1.280 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)[C@H]1CCOC1 1696647059 KZGWUGODMZAXFJ-SFHVURJKSA-N 440.504 1.203 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C[C@@H]1C 1697076432 DJEKARMFDJYYES-BTYIYWSLSA-N 426.477 1.245 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705475542 MOQRJIYEDJKWGV-IEBWSBKVSA-N 440.548 1.947 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1705526565 MMEZOXOELNCHRU-QGZVFWFLSA-N 444.561 1.311 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705533664 QHDOVWRSVICMDN-MOPGFXCFSA-N 441.580 1.166 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(C)cc1 1705573886 PUEUWTYEYNRNKQ-ROUUACIJSA-N 429.546 1.737 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2C)CC1 1705639358 MGRXNEZSGQUMCP-GOSISDBHSA-N 447.992 1.946 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1705639845 XQDSXZMVYAZASG-PZJWPPBQSA-N 426.540 1.979 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1705695412 WIWCMZXUNLBMAB-PKOBYXMFSA-N 432.569 1.845 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1705707189 GOJIDKZNOGHNBC-MSYCTHLASA-N 447.580 1.874 30 10 IDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705808775 BZHBWEYBABNLQE-HNNXBMFYSA-N 429.550 1.840 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1705878422 OVJPCKIDHGNPRP-SIKLNZKXSA-N 446.573 1.567 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCSC2)C1 1705928451 FFOSKAXJKIMUFG-YWZLYKJASA-N 449.602 1.919 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1711085771 RONQVMMKRHMANY-IBGZPJMESA-N 444.561 1.716 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](n4cncn4)C3)n2CC(=O)NCC(F)F)c1 1712878646 PKXXXQAZRZSYAV-INIZCTEOSA-N 441.446 1.631 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722362487 UXXXBZHPJPKCGM-SQNIBIBYSA-N 431.562 1.461 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1722382921 KLBUFQVJGNKHFZ-QZTJIDSGSA-N 440.548 1.744 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)nc1 1722386244 YLEOGIAEQMBNGC-UHFFFAOYSA-N 428.500 1.411 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722386943 CEOBXDFPLDFGCX-GOSISDBHSA-N 449.563 1.380 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1722402757 PUWRMYPAFOSSJP-LBPRGKRZSA-N 428.465 1.393 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1722426150 AFDRXAMDGXOYII-KRWDZBQOSA-N 439.582 1.133 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1722456796 GBYUDHRXDAVUAD-UHFFFAOYSA-N 429.546 1.615 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(CC)nn(C)c2OC)CC1 1722560424 ZFUMQZFIDFSJJJ-AWEZNQCLSA-N 437.570 1.398 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1722681813 SXRMWXSHLUHQSO-INIZCTEOSA-N 439.557 1.996 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](COC)C1 1722698695 KMMVMYJDNCIYAD-VQIMIIECSA-N 427.505 1.956 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722727523 MJZQMKVSEVTEHN-KRWDZBQOSA-N 444.565 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCSC[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1722736716 FXFWPZKZJQDZRU-MAUKXSAKSA-N 430.596 1.473 30 10 IDEE CC(C)Cc1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1723282988 QYFBOIALWPEMMU-WIWAJNDWSA-N 427.553 1.676 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1729311402 DENSOKZCFXSJLG-SFHVURJKSA-N 438.532 1.948 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCCO)CCN1C1CC1 1731188443 FSKOPLZDNXKPOX-KRWDZBQOSA-N 431.928 1.569 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740616002 PMPSNGTUIXMYHE-OTWHNJEPSA-N 432.569 1.014 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621238 UZKBCKGTTHPGDF-GOSISDBHSA-N 443.573 1.749 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1740623523 WBGWQSIMSUUJIU-PMACEKPBSA-N 449.621 1.409 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1740639765 FPZIRWAITSTSKX-CADBVGFASA-N 431.562 1.120 30 10 IDEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740669983 FWFLWLZGUOGSKG-UHFFFAOYSA-N 436.965 1.922 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1740671696 MMKDPMMZAKPECG-CVEARBPZSA-N 427.571 1.132 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)Cc2ccccc2)CC1 1740695389 PINYSVHEMHGGGN-HXUWFJFHSA-N 432.576 1.954 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1740706453 YLJVMANQMNLXMK-HXUWFJFHSA-N 442.608 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N(C)C)nc2)CC1 1740707830 RRFXGANAXOAPLB-UHFFFAOYSA-N 425.537 1.290 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740955381 SKUMNRIZLVZYAG-LJQANCHMSA-N 435.532 1.860 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1743886756 DJBFPZMFSMMYJB-MAUKXSAKSA-N 444.561 1.745 30 10 IDEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1745082064 PXTVFKWRHYYTTO-SNAWJCMRSA-N 437.548 1.668 30 10 IDEE CCC[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1745216417 ILPGLGUFBPJGCM-FKQWUUPDSA-N 429.525 1.628 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1748196194 BLJWWQSOQPIAKW-PMACEKPBSA-N 438.532 1.831 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748756308 JEDYCWMOVUBHRZ-UGKGYDQZSA-N 435.576 1.666 30 10 IDEE C#CCN(c1nnc(CC)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1748817006 CEVUMKZBYOZIDA-GFCCVEGCSA-N 426.436 1.384 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749064433 VUJNOSJHSCVGOG-WMZHIEFXSA-N 436.564 1.670 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1749574957 ITPRPQYWFICPCM-SJORKVTESA-N 439.582 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749663409 DDDGVELBHOWNFZ-HNNXBMFYSA-N 444.561 1.608 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1750209046 NSBXWCREVURGEN-SFHVURJKSA-N 444.561 1.715 30 10 IDEE C[C@@H]1C[C@@H](C)CN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1752010693 PXKGXGNBMAHXDC-AQNXPRMDSA-N 443.596 1.887 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCOC1 1760101764 VJPAKOTZTBMCSP-JLTOFOAXSA-N 432.550 1.156 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760129547 RAODXRWYZXVCSF-ICSRJNTNSA-N 443.596 1.209 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(OC)CCOC1 1760246425 YCYCQENOSMJPPP-QFIPXVFZSA-N 428.489 1.608 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccc(C)cc1 1760249536 NKOFFRABHDDXCH-FQEVSTJZSA-N 425.533 1.997 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@H](C)C2)CC1 1760264904 HSFMNWRGJPCMDA-IAGOWNOFSA-N 430.553 1.197 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCN(CC)CC1 1760457237 KIOAUPRPMYJAMP-GOSISDBHSA-N 446.621 1.997 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1760514907 OFIDLTWVJDJPMT-SZPZYZBQSA-N 430.553 1.506 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760519956 VTYWWUOUWXJBDD-UHFFFAOYSA-N 432.532 1.981 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(c2ccncc2)CC1 1761237963 FQXWDBQHGGOKNO-IBGZPJMESA-N 438.536 1.457 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)C1 1769156461 CLXGQRGYXNSSPW-JOCHJYFZSA-N 426.521 1.832 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1 1770740381 FLLRHAQMEUXQQG-ZWKOTPCHSA-N 429.546 1.849 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc(Cc3ccccn3)n2CCOCCCO)CC1 1770740986 QWTTZSUZTAMQRM-UHFFFAOYSA-N 447.543 1.861 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCN2CCOCC2)CCO1 1770747408 JAEJSUHKMUOVFR-KRWDZBQOSA-N 446.502 1.988 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(=O)NCc2ccco2)CCO1 1770751014 CCGVQEVKPFGOKD-LJQANCHMSA-N 436.472 1.538 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1771111259 DQJVLQLCYIGIPD-QGZVFWFLSA-N 441.492 1.822 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N(CCC#N)CC2CC2)C1 1771359176 CXOVKNOBGZKEGG-LJQANCHMSA-N 443.577 1.675 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCCN2CCC[C@@H]2CO)cc1 1771532416 ZQSQGDZYZYPIJV-WOJBJXKFSA-N 437.548 1.365 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCOC3)n2CCOCCCO)CC1 1771534308 WAPYCJHFBYZYJX-IBGZPJMESA-N 441.536 1.164 30 10 IDEE CC(C)C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NCC#CCN1CCOCC1 1851728977 TWHWIKWBTSJMOM-GOSISDBHSA-N 441.981 1.485 30 10 IDEE CC(C)(C)N1C[C@H](C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)CC1=O 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438.334 1.604 30 10 IDEE Cn1ncc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2255542375 QPRLVZFAIBPUAL-UHFFFAOYSA-N 434.346 1.802 30 10 IDEE C[C@H](CCCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255608894 PZVWIHJFFPGOAC-CYBMUJFWSA-N 437.350 1.538 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255609646 VJYOSKHMDZXYKY-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255658100 YRKGTSURMZYWCU-KBPBESRZSA-N 434.346 1.610 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2255671645 UZIKFQWSLBAAOL-UHFFFAOYSA-N 437.346 1.792 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255832742 QOXSIQVXQVDYTJ-NFAWXSAZSA-N 432.330 1.694 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255846230 OWDDCMCBTHWMJZ-AWEZNQCLSA-N 438.330 1.879 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2255874839 YUCOPVQXNGNWHY-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2256620604 KJXMPIUHKGIZCE-UHFFFAOYSA-N 432.330 1.528 30 10 IDEE CO[C@H]1[C@@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2260809443 RUHGPZFRWXBKHE-OZTXGSJTSA-N 440.346 1.940 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2266996780 QPZTWXRLCZDYNC-UHFFFAOYSA-N 447.297 1.185 30 10 IDEE CN(C[C@@H](O)CN(C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267001847 QKDVIIBXYXXOCE-HNNXBMFYSA-N 449.357 1.681 30 10 IDEE Cn1nc(C(=O)N2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267125298 DNMBTWVALJSQHY-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2267186391 JACYKHAIJMJPDY-OAHLLOKOSA-N 449.357 1.860 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2267267811 ZMGDFWFFCWELOY-IRXDYDNUSA-N 447.341 1.481 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2267500449 JDJRXRUEMQFLJR-GJZGRUSLSA-N 446.357 1.658 30 10 IDEE O=C(O)CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 16741003 JYZYYGUCDGBFJQ-NFVGTTHASA-N 440.499 1.314 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3OCC)n2N)cn1 59830095 KTRMAECWOAHALY-UFFVCSGVSA-N 441.521 1.950 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)Cc2ccccn2)CC1 110330577 SUPLWHYXLPVBKD-UHFFFAOYSA-N 431.500 1.459 30 10 IDEE C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)n1cnc(C#N)n1 409475383 NNOINEQNZMSOMR-LLVKDONJSA-N 432.282 1.746 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C[C@@H]1CCCO1 445593259 VGMNFFQWYODNGF-HNNXBMFYSA-N 447.919 1.687 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 446622435 DMAFQRLZCZXHQE-HDYDNRTBSA-N 441.532 1.924 30 10 IDEE C[C@@H](CCc1cccn1C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466125895 VVCHULWFOGRKCJ-KRWDZBQOSA-N 429.546 1.934 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 467291637 OKBQVBGWOXXDRD-PBVWOCPUSA-N 428.508 1.808 30 10 IDEE CC(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H](C)C1 477650948 LFESYRLACBJZFE-HNNXBMFYSA-N 426.477 1.007 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 503628012 XABKLQRSVHNQHY-HNNXBMFYSA-N 434.443 1.725 30 10 IDEE C[C@@](O)(CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512910108 LLCPIFCDVOBXMY-JOCHJYFZSA-N 427.526 1.775 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 523576797 FEPHAZAVUDUQAE-UHFFFAOYSA-N 425.554 1.360 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCN3CCN(c4ccc(F)cc4)CC3)CC2)n1 545513661 UXAVBRPFUCNRBZ-UHFFFAOYSA-N 437.523 1.746 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H]3CCCO3)CC2)cc1 555400947 QHLVEBPOZQSSPJ-OAQYLSRUSA-N 449.559 1.887 30 10 IDEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 561041309 ASSIAFNBUXAVFW-INIZCTEOSA-N 440.997 1.975 30 10 IDEE N#C[C@@H]1CSCCN1C(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 577330442 RMKYQRHHTHBKJX-QZBQPBHFSA-N 433.533 1.933 30 10 IDEE N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 603785895 ASEXQUCWQYFMBR-UHFFFAOYSA-N 446.463 1.846 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)CC1 620004005 GVMSDJROWSCQPZ-UHFFFAOYSA-N 446.511 1.875 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CCN(C(=O)C(C)C)CC2)C1=O 726111840 DXXQIAPZZSLHDB-IWZUTMLHSA-N 445.589 1.707 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccccc2Br)C1 732468099 BSCLXHGLERYNKB-OYLHUBKDSA-N 448.321 1.853 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)cc1 733675857 NDFITNUWVNDWQB-OAQYLSRUSA-N 448.504 1.941 30 10 IDEE C[C@@H](CC(=O)NCc1nccn1CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 742628663 SRLUYWQNVFIHHX-NSHDSACASA-N 429.424 1.579 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 746191563 WAEFXWFONVVTMT-ZJYNUGOYSA-N 425.470 1.315 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 748065302 LLACGKRWEZJJOQ-UHFFFAOYSA-N 435.509 1.009 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCOC3)c2=O)cn1 749856272 CXTMBIBEAQBVEA-QGZVFWFLSA-N 448.548 1.939 30 10 IDEE CCOc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)cc1 751670600 DOYCDCLAEFFRFU-WMZOPIPTSA-N 434.562 1.874 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754634337 BTLROESILXANPT-SQFISAMPSA-N 427.186 1.753 30 10 IDEE CC1(C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 757102464 LAXCLXNRHVNUFJ-UHFFFAOYSA-N 441.575 1.321 30 10 IDEE CC(C)(C)n1nnnc1COC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 766173622 JAYLBDPWCOEZHB-UHFFFAOYSA-N 434.522 1.770 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 768721348 MBEUXHSGPFXDBU-UHFFFAOYSA-N 447.417 1.818 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2)c1cc[nH]n1 772655268 HLOGMYPAZMCXBY-OAQYLSRUSA-N 449.508 1.696 30 10 IDEE C#CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)[C@H]1CCS(=O)(=O)C1 774044012 PELPZGZITYHNAW-INIZCTEOSA-N 439.559 1.398 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCS(=O)(=O)C1 774210821 LEEOPHJGAFYJAR-CVEARBPZSA-N 425.501 1.761 30 10 IDEE COc1cc(OC)c(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(OC)c1 778075005 SIRHHAMROOUYKP-GXTWGEPZSA-N 441.506 1.750 30 10 IDEE CC(C)[C@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 780436937 FPONKWAUGMJYNS-ZDBRSUKYSA-N 435.525 1.800 30 10 IDEE C#CCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(C(N)=O)cc1 783016806 ZGTWUFGFDXYQOJ-CYBMUJFWSA-N 426.420 1.809 30 10 IDEE COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2cccc(C#N)n2)CC1 802484155 FGAIGSWLDLDTBZ-UHFFFAOYSA-N 447.499 1.956 30 10 IDEE Cn1ncc(-c2csc(=Nc3ccc(C#N)c(Cl)c3)n2CCN2CCNC(=O)C2)n1 803194518 VXCOQCHKAWCHMY-UHFFFAOYSA-N 442.936 1.534 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCCN(C)S(C)(=O)=O)C1=O 915111128 JFIPXAKBGHTWFO-CQSZACIVSA-N 430.527 1.175 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 916777753 RSXAMEIWQGXEIZ-SFHVURJKSA-N 447.538 1.605 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCCO1 1116388444 MKMNNQOYKPEXQE-QGZVFWFLSA-N 436.537 1.855 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1 1129690867 YCKMLCPGCAPDID-UHFFFAOYSA-N 439.559 1.404 30 10 IDEE N#Cc1ccc2c(n1)CCCN2C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1130382528 CYNAQGRNUXLEDW-UHFFFAOYSA-N 430.461 1.706 30 10 IDEE COC(=O)CCN(CC(OC)OC)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1138150595 KMGAPJDSILDHAJ-AWEZNQCLSA-N 437.880 1.575 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)no1 1142733927 AYFSRMAPFTXZRA-VIFPVBQESA-N 431.396 1.785 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)s1 1160459272 QOEGDJJVTQPHFW-GFCCVEGCSA-N 425.498 1.898 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)NCCCOC(C)C)CC2)c1 1190347675 FENZKFULLSWHOP-UHFFFAOYSA-N 428.533 1.959 30 10 IDEE C=CCOCCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1279540818 MLUUYNKKDBPFCI-UHFFFAOYSA-N 427.498 1.001 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286276431 RFHRAUPUIRZTQC-QKLQHJQFSA-N 439.582 1.201 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286277459 YQTMRYCXKVSZCA-ZWOKBUDYSA-N 439.582 1.058 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1286422029 IMJHSDAAKHPZGZ-HXJXPZHGSA-N 430.549 1.712 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)nc1 1286463473 OQJGXXRAEXKQFF-UHFFFAOYSA-N 429.488 1.759 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1286474498 KVRSMRPJGQFHEI-OAQYLSRUSA-N 430.915 1.971 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286790934 ZPYCCVQOLPXAGJ-IBGZPJMESA-N 443.596 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1286818944 UMAYZUPZPGPCSK-SJORKVTESA-N 434.566 1.976 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1286823546 WBOINXXPIZSAEJ-HNNXBMFYSA-N 449.581 1.406 30 10 IDEE CC(=O)N1CCN(CCn2c(COc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 1286888861 ATYYLQYDJAYJFF-KRWDZBQOSA-N 443.527 1.899 30 10 IDEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1)N(C)C1CC1 1288780673 HIAIXVPHRZXWOX-JKSUJKDBSA-N 445.593 1.879 30 10 IDEE CN1CCC(C#N)(NC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 1292881269 PYSAKDGBNWHWOL-UHFFFAOYSA-N 427.509 1.514 30 10 IDEE COc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1300307470 KTWYDNVDOQQWBT-ZWKOTPCHSA-N 426.477 1.436 30 10 IDEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300353944 RXLYYXNDNXYFOA-UHFFFAOYSA-N 438.507 1.815 30 10 IDEE COc1cccc([C@@H]2CN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CCO2)c1 1300408100 PZDIKQLXHWPMCR-WCZGFUKNSA-N 438.488 1.699 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1300432958 SVVWESBBLKYNNX-QGZVFWFLSA-N 439.564 1.934 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1300629877 HTBNXUUXAKHUNL-SFHVURJKSA-N 435.532 1.471 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1300701257 MKDGOAMGQNWUAP-QFIPXVFZSA-N 440.567 1.610 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCNC(=O)C(C)C)CC1 1300703268 DUTLZRNTFCGSFA-UHFFFAOYSA-N 448.575 1.434 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 1300889594 CVGQBLZYKCPCDC-ICSRJNTNSA-N 442.568 1.582 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1301040604 GVYUJUMKZOYZQX-OAHLLOKOSA-N 429.974 1.627 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1303005142 YARVPIWPDCGHEI-KGLIPLIRSA-N 437.426 1.952 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCC2)nnc1N1CCN(CC(F)F)CC1 1303096182 PACJIAMRPDEYLS-HTXNQAPBSA-N 435.479 1.459 30 10 IDEE CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1303182412 KTHFEFYMRJAEIC-HNNXBMFYSA-N 435.554 1.179 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1303470937 ZKAXZBJLQXYHOX-GOSISDBHSA-N 432.550 1.760 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)C1CCN(C)CC1 1303996890 PWMOERRNFUAPPL-UHFFFAOYSA-N 428.352 1.283 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1304200936 RQOOTPSMVYBYCC-GOSISDBHSA-N 438.571 1.951 30 10 IDEE CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1306765971 AHNOMUMCYBDLED-UHFFFAOYSA-N 429.506 1.771 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)cn1 1309664364 KXCVBZLWMXZCTI-UHFFFAOYSA-N 432.321 1.161 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)OCC 1309760437 GOBSSNFKIAFPTE-HNNXBMFYSA-N 436.939 1.579 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1314645370 SNEWEWQUPIJUCZ-KURKYZTESA-N 442.545 1.012 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1315734340 CVCAPGQFGTVAQV-PMACEKPBSA-N 438.532 1.960 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1320061551 KJMUDOWOLUXVBF-MRXNPFEDSA-N 425.507 1.525 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Br)n1 1358939564 ZASFTXDFJMRMLA-NSHDSACASA-N 427.328 1.164 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1358977228 HPUAVOSTZZVGQC-ZWKOTPCHSA-N 440.548 1.949 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1358979804 YGVSCDDXLYPDDN-MOPGFXCFSA-N 449.577 1.033 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1358993248 IWGHMKGLPHONOV-UHFFFAOYSA-N 442.564 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C)n(C)c2=O)CC1 1359044237 AHWKORSIPXBWDP-UHFFFAOYSA-N 436.560 1.957 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)(C)C)CC1 1359122040 URVKVOCFOZDCEI-KRWDZBQOSA-N 440.614 1.498 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CCC)OC)CC1 1359165000 DVOGSJHPPSBCRZ-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H]1CCOC1 1359334095 SIMVCTDHQVUNFJ-KRWDZBQOSA-N 444.561 1.590 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)n1 1448864041 ZCLLXXNPOQAVIR-SFHVURJKSA-N 428.493 1.706 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCCC[C@@H]3NS(C)(=O)=O)n[nH]2)c1C 1449250643 QJMDWWFHSWMXQQ-CVEARBPZSA-N 434.566 1.914 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1460224093 VXZBYUDNTZDNKK-QGZVFWFLSA-N 435.546 1.532 30 10 IDEE COc1ccc(-c2nc(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)cc1OC 1463162393 BFDRHPXILAMXIC-VBKZILBWSA-N 447.538 1.767 30 10 IDEE N#Cc1cccc(ONC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1471085894 LOGXPCJKTHNWHG-UHFFFAOYSA-N 443.481 1.840 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)cc1 1471531375 WMYZYYWMLDITQA-UHFFFAOYSA-N 440.518 1.498 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1474863108 MRJVQSZDRMRODB-GFCCVEGCSA-N 449.352 1.164 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNC(=O)C(C)C)n1 1492517812 GXIFCCMOHRODBV-LJQANCHMSA-N 436.564 1.987 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCOC)CCOC1 1502717077 AWVHTRROYPUXBF-NRFANRHFSA-N 427.509 1.170 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1503273777 LYNZXPRDJUVVRH-QAPCUYQASA-N 432.550 1.353 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503370428 IZEXKHXRWCWQHD-LJQANCHMSA-N 441.511 1.945 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1504537982 KPGJTEFTMSFFQR-UHFFFAOYSA-N 436.516 1.895 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507544611 YVZJNHVAVWNEIB-UWJYYQICSA-N 432.546 1.481 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1507641975 GFQHVBJNXRQNFQ-INIZCTEOSA-N 429.546 1.237 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1507679152 HKZYMSHHISSLMC-AUUYWEPGSA-N 437.591 1.897 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCCCC2)CC1 1507718957 INFVWMXWLMALDY-HSZRJFAPSA-N 430.597 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](COC)C1 1508079494 XMZQCVJCXFOWFG-MRXNPFEDSA-N 427.505 1.881 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1508084077 HITZFPDIHIFFDA-IBGZPJMESA-N 436.520 1.360 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC[C@@H]1C 1508131980 SUOYWTLSFDLROT-KRWDZBQOSA-N 447.561 1.973 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508302411 SSQSQWYAEWARGZ-XUTLUUPISA-N 443.552 1.811 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1519384466 ROXGVQILNXWEDS-SFHVURJKSA-N 426.521 1.831 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C(=O)N3CCCC3)n1CCCCCO)C2 1521083137 SLNRWSWEESOKMW-UHFFFAOYSA-N 425.493 1.212 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1N1CCOCC1 1538966472 ZRIPQWQZUKINLR-KRWDZBQOSA-N 446.515 1.663 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1539015275 OSFNVFWWYCZGNW-IEBWSBKVSA-N 431.562 1.702 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1539124582 GZZPVWUBBAGBQJ-APWZRJJASA-N 447.561 1.927 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1539203433 PPZYXKCEFLZUJY-JKSUJKDBSA-N 447.527 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1539296999 XFDBXQIQULOVDF-QGZVFWFLSA-N 428.562 1.724 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1539454142 XSDNULKMGSIPNV-LJQANCHMSA-N 426.540 1.484 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539506945 OIZCVLHUPRDPCU-SFHVURJKSA-N 449.540 1.656 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1540070793 ACBASCMKOQBWJT-SFHVURJKSA-N 435.550 1.450 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540872120 DEHULWJBIKWFMX-QGZVFWFLSA-N 449.552 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1540899798 AHGPMJZXASEBAV-NRFANRHFSA-N 432.546 1.850 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCN1CCCO 1541363790 MGZHJUGKJHAYGW-FQEVSTJZSA-N 438.580 1.842 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1Cc1ccc(C#N)o1 1541924420 NLDLLYSBMMKTKD-KGLIPLIRSA-N 430.490 1.988 30 10 IDEE CCC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1546921345 MWFKNOCTNQPISP-LEAZDLGRSA-N 432.569 1.994 30 10 IDEE COc1ccccc1O[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1555092971 BKNQBENDNDFUGL-PMPSAXMXSA-N 426.477 1.434 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C[C@@H](C)O1 1555384984 AGZNVZYFTSKUKZ-OPYAIIAOSA-N 440.548 1.778 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1555699277 CKQDURKVVOIMES-HSZRJFAPSA-N 440.548 1.515 30 10 IDEE COC[C@@]1(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CN(C(=O)OC(C)(C)C)CCO1 1556824412 GAXBHZONYVJGJA-HTAPYJJXSA-N 446.504 1.585 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)c1cc[nH]n1 1557445461 XHDRCONGDOFBQA-CQSZACIVSA-N 433.896 1.990 30 10 IDEE CCc1c(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1557917911 RKUXQDZFBSQWCQ-HSZRJFAPSA-N 432.484 1.287 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c1 1558600625 HPKUGARETDEGTE-UHFFFAOYSA-N 440.529 1.091 30 10 IDEE COC[C@@]1(C(=O)OC)CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1560025069 DJWBIIFMIOYXFT-NFBKMPQASA-N 446.523 1.579 30 10 IDEE C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1561730933 LSLFODUSBTVGTE-KRWDZBQOSA-N 428.576 1.993 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1565691494 HDDWSLBVUCOIPJ-CYBMUJFWSA-N 425.486 1.455 30 10 IDEE C=CCOC[C@@H](NC(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1)C(=O)OC 1568154383 HQNNUSGWGBUJNK-MRXNPFEDSA-N 440.537 1.779 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)c(F)c1 1568752325 FEKSSMHOTIIWGC-UHFFFAOYSA-N 443.460 1.676 30 10 IDEE C#CC[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 1570662404 YNAOPHKXXYCIJN-FUHWJXTLSA-N 426.560 1.030 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@]3(C#N)CCSC3)CS(=O)(=O)[C@@H]2C1 1584460008 FYMMPRITVYYEGY-UHQDVWGKSA-N 429.564 1.172 30 10 IDEE C[C@H]1[C@H](C(N)=O)CC[C@@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1587024842 ORLCFJAGPOHHFP-ZRGWGRIASA-N 432.546 1.460 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@]34COCCN3C(=O)OC4)C2)C1 1587636210 KDGLHGFZUJWJPM-HOBGOZEFSA-N 434.493 1.111 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CC(F)(F)F 1587932359 QCKVKKORTDGAQB-UHFFFAOYSA-N 429.468 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1588224376 XMCNLLNPPOZNTF-YADHBBJMSA-N 446.555 1.593 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCOC[C@@H]1OC 1588673671 WTDRKKLDXMITFW-QUCCMNQESA-N 438.532 1.654 30 10 IDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1593621704 XLPVRQIXIUBKHB-UHFFFAOYSA-N 432.532 1.750 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1593775967 FMKSAYCLELRMKL-INIZCTEOSA-N 434.541 1.879 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCCc2ccccc2)CC1 1594096934 KFTPZOQGBJWSMY-LJQANCHMSA-N 443.573 1.696 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1594625277 GBUWRHXJKGQNHI-ZWKOTPCHSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnccn2)CC1 1595497220 UEHYADKCEXLTDI-UHFFFAOYSA-N 434.504 1.373 30 10 IDEE N#C[C@]12CN(C(=O)c3ccccc3SCC(=O)N3CCCC3)C[C@H]1CS(=O)(=O)C2 1598568487 UVFDBJCPKYLZLH-MGPUTAFESA-N 433.555 1.411 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1619422799 GGGULRCZKRLIIH-GOSISDBHSA-N 445.545 1.431 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOCCCO)CCN1C1CC1 1620355078 GKYZUUAXJWIEJE-QGZVFWFLSA-N 446.502 1.723 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2)C(=O)OC 1626187790 IUPOFRNDEAEOQG-IAGOWNOFSA-N 429.473 1.759 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 1636512652 NYGSBAKLJCNMNQ-MAUKXSAKSA-N 448.545 1.530 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)c1 1640534533 OHMUKHZQLMDWGM-UHFFFAOYSA-N 433.526 1.794 30 10 IDEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)C#Cc2ccc3c(c2)OCO3)n1 1641866347 DPPSFWHIJIMCGK-UHFFFAOYSA-N 426.429 1.604 30 10 IDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nnc1-c1ccccc1 1643353649 RMLDWFQNWKJCNI-UHFFFAOYSA-N 435.575 1.763 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC[C@@H](C#N)C3)CC2)cc1 1651576833 DRNWKSWJRGMSMY-KRWDZBQOSA-N 448.545 1.070 30 10 IDEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CCOCC1 1656099297 BKXZSDFKLZKVOB-LBPRGKRZSA-N 429.292 1.487 30 10 IDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)cc1 1663403205 BKSDOBIZGRLBBH-OAQYLSRUSA-N 443.481 1.240 30 10 IDEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1666425447 BMVAGFHUMXNWPZ-WBVHZDCISA-N 441.575 1.972 30 10 IDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)C1 1670283867 VHCAYAHRCHWUSJ-HNNXBMFYSA-N 434.443 1.907 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)C1 1673010791 VLOKQZFGFZXVLG-MRXNPFEDSA-N 448.365 1.947 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)NC1CC1 1690072397 GZRSDQBSHRWSHD-UHFFFAOYSA-N 443.577 1.757 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690155100 FTXPHRSXGUYCJH-INIZCTEOSA-N 441.561 1.787 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCCNS(C)(=O)=O 1690211288 XZDNVVPYWJUDAR-OAQYLSRUSA-N 431.562 1.831 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690299601 YVLXSEDYBSNVTO-WJMWBRGCSA-N 446.596 1.567 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690497338 NNSYKWLVDPVSKT-UHFFFAOYSA-N 433.557 1.347 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1690993320 IEVNOSPYIMTZHQ-OAHLLOKOSA-N 445.549 1.000 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCS(C)(=O)=O 1705487419 XXMPDIKUMALGNS-OAHLLOKOSA-N 434.518 1.235 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705526202 HBGNSSKXKATYEE-INIZCTEOSA-N 444.561 1.276 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705540057 LZCRLYLOEGYGNU-ANULTFPQSA-N 431.581 1.963 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccc(OC)cc1 1705552187 WGZAIMLBQDXLCO-IBGZPJMESA-N 447.561 1.322 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705565978 LDBSGXVPHUSTNJ-KRWDZBQOSA-N 432.550 1.122 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705575292 FRTDHLGWJCANOP-INIZCTEOSA-N 442.426 1.608 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1705614645 POZIXVCYDNVTNX-SJORKVTESA-N 435.525 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCC)CC2)CC1 1705648473 TUBBGHPCHMYEKB-GOSISDBHSA-N 447.605 1.726 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1705907425 MJIKMGNCKMRQND-DLBZAZTESA-N 430.553 1.487 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705935880 FUPBRUIJFLDZHL-JKSUJKDBSA-N 441.554 1.098 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C)C(=O)C1 1705938354 WDKIXPAXSVGCGB-UHFFFAOYSA-N 433.534 1.045 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706129784 UVWQKTVQFNLVIP-LVWMNBHTSA-N 429.525 1.095 30 10 IDEE CC(C)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1706242357 SRKHYDIUUKQLSY-SFHVURJKSA-N 435.532 1.646 30 10 IDEE COCC[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712352452 OHYAONCBAJOYAA-SKOAFDGASA-N 430.509 1.171 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCSCCCO)CCO1 1712884996 XGNQJDCYNVXMCL-LJQANCHMSA-N 439.545 1.975 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1722361980 QPHWBSAUIFUNMZ-QGZVFWFLSA-N 442.545 1.026 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CC=CCC2)CC1 1722448487 VPRXBEDXQHQSNM-FQEVSTJZSA-N 426.565 1.400 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC[C@H]2C)CC1 1722448705 XQXMAAJOYWKQBV-MISYRCLQSA-N 429.565 1.811 30 10 IDEE Cc1c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)cnn1C 1724112731 MWRNYTVHULGEBV-UHFFFAOYSA-N 442.549 1.434 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1729543002 QEQCFWSULKKJKK-KRWDZBQOSA-N 427.509 1.289 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ncc(Cl)n2C)C1 1729595586 GBDVTXVWYQVYEG-NRFANRHFSA-N 440.939 1.907 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc(C4CCCC4)n3CCOCCCO)CC2)nc1 1731183615 TVPWJIJTOVLXEW-UHFFFAOYSA-N 425.537 1.928 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1740621622 XTPXFRBNZLAVEV-IAGOWNOFSA-N 436.484 1.996 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1740646369 XDELETRHCOFCNE-INIZCTEOSA-N 439.607 1.263 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cn3ccc(C)cc3n2)CC1 1740690291 IHWZTHCFVWMXPT-IBGZPJMESA-N 437.548 1.762 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1740810892 IKFPSJLREBAXAN-OAHLLOKOSA-N 429.930 1.901 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1740838781 YHJCDZVRZGYJNO-SFHVURJKSA-N 444.561 1.522 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1740950786 HQIIVAXGIPMSAM-UHFFFAOYSA-N 438.492 1.004 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740966768 WMDJQJLJOAJIAV-XLMAVXFVSA-N 446.552 1.434 30 10 IDEE Cc1occc1CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1742065035 XQMJZVQGIFXRHY-UDJKBAMHSA-N 439.476 1.293 30 10 IDEE Cc1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742854127 LDWKJKQPSOZJBR-LURZSEBBSA-N 436.516 1.951 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1747421493 NIPRVOLVEQAGQX-UHFFFAOYSA-N 431.566 1.604 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CC2)C1 1747447354 AUSRDDQIIBIJDZ-SFHVURJKSA-N 444.561 1.904 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)COC1 1747943565 ACVRZONMQLIVQE-UHFFFAOYSA-N 433.534 1.636 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 1748745292 NPFIYKNIGRWPIB-INIZCTEOSA-N 434.500 1.995 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCOCC)CC1 1748979786 MXCASCACLMCNIJ-UHFFFAOYSA-N 445.589 1.921 30 10 IDEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1751046136 MUWKXTJZOUETMN-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)c1 1751723378 ADLDZJMQZJHXTB-UHFFFAOYSA-N 447.547 1.820 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1760121470 SZLVGYHRUYVBKD-MRXNPFEDSA-N 426.546 1.799 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1760194903 SLJGIUBWNOEBQR-OAHLLOKOSA-N 431.518 1.027 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(F)(F)CO1 1760197113 QITPTIPOHCMWDS-MRXNPFEDSA-N 434.468 1.846 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1760225555 SSCCRNLBSHJOOX-CQSZACIVSA-N 428.559 1.263 30 10 IDEE C#CCSCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1760278779 GZMIAKNEYZILQM-IBGZPJMESA-N 438.557 1.754 30 10 IDEE C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1760345153 LKYGHQWYBNPYFP-OWCLPIDISA-N 437.566 1.858 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760357074 DDNLXDAFNHJYHX-MJGOQNOKSA-N 448.593 1.575 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760389852 VPGODEATZIBLAK-UWVAXJGDSA-N 441.598 1.565 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1760504740 ACWZVSKUNJIVOP-HNNXBMFYSA-N 425.942 1.916 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760528254 XEQPXLRRDUXFFD-MRXNPFEDSA-N 449.602 1.804 30 10 IDEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1760533434 GTWZJHIITVSRAA-UHFFFAOYSA-N 431.562 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760548978 UHDMMFIMKWOSSS-KRWDZBQOSA-N 440.614 1.976 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC[C@@H]1C 1760552884 DVLOKNIFVGZOAX-HNNXBMFYSA-N 436.534 1.788 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCO1 1763512510 DMKJMMCOSYWLIF-HKUYNNGSSA-N 444.561 1.713 30 10 IDEE COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1769399042 HGXYQJIWGKAPRP-SFHVURJKSA-N 446.577 1.961 30 10 IDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C[C@@H]1C 1769499933 JVGKPAIATIWFKZ-IRXDYDNUSA-N 441.536 1.956 30 10 IDEE CS(=O)(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1770359657 VMLFOXHCKPCWON-SFHVURJKSA-N 440.932 1.904 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCOCC2)CCO1 1770746977 DRFFIMXOTZKXPE-FQEVSTJZSA-N 428.512 1.849 30 10 IDEE N#Cc1ccc2[nH][nH]c(=NC(=O)c3ccc(N4CCC(N5CCOCC5)CC4)nc3)c2c1 1851825166 RTJIZHYWOQFDMD-UHFFFAOYSA-N 431.500 1.805 30 10 IDEE CS(=O)(=O)N1C[C@@H](C(=O)NCCN2CCC(C#N)CC2)Oc2ccc(Cl)cc21 1852807837 VLPRGQIJCXUKQK-KRWDZBQOSA-N 426.926 1.219 30 10 IDEE C=CCC1(S(=O)(=O)N=C(NOCC(=O)N2CCOCC2)c2ccc(Cl)cc2)CC1 1853603838 JBKHSKGWWXBJDM-UHFFFAOYSA-N 441.937 1.905 30 10 IDEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc(Cl)cc3Cl)C(=O)C2)C1 1856838963 WPUWSYMIFRYFHF-CYBMUJFWSA-N 445.328 1.205 30 10 IDEE C#CCOc1cn(CCOCCO)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870563897 SNJNRMVTPFGWLJ-UHFFFAOYSA-N 445.947 1.845 30 10 IDEE C=C(Br)CS(=O)(=O)NC1CCN(CCNC(=O)OC(C)(C)C)CC1 2006227678 FUBIDWJGQYSISP-UHFFFAOYSA-N 426.377 1.804 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1 2013201301 VWRBNBWJUPSWKG-LBPRGKRZSA-N 425.345 1.983 30 10 IDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nn1 2060785848 MEEDRVDLJMQGTQ-MJGOQNOKSA-N 439.520 1.617 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2247829172 KLVHSOVFFPAEHW-UONOGXRCSA-N 444.359 1.878 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(N)=O)C1 2254643360 FNQYTAOEUYVPSY-OAQYLSRUSA-N 433.314 1.625 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255610645 PHHSSAHGQOYFRU-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255818233 IFCYCKSBRANBFD-LSDHHAIUSA-N 436.314 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2256629323 SKXHKQYGGSTKLG-UHFFFAOYSA-N 433.314 1.691 30 10 IDEE COc1ccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2267010349 SSGCCBSUNGASOF-UHFFFAOYSA-N 442.243 1.745 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2267279566 KHPJHESKSVIGPP-UHFFFAOYSA-N 447.341 1.652 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC12CN(C(=O)OC(C)(C)C)C2 2315534603 TWQANMDDMZHSKL-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2337194338 LBTPNEUDJWQERY-RBSFLKMASA-N 446.357 1.847 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1C 2337320361 YFSOGEUFFZVGGK-HNNXBMFYSA-N 446.357 1.933 30 10 IDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc3c(cc21)OCCO3 13792039 QDRSRCSZKTYUIW-YSGBTYPNSA-N 435.527 1.206 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(N1CCCCC1)n2CC=N/N=C1/C(=O)Nc2ccccc21 254292082 GXOKBILPSUKTBD-UHFFFAOYSA-N 434.460 1.253 30 10 IDEE CCCc1csc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 434777183 RHJWZFHUJOIZKX-UHFFFAOYSA-N 447.542 1.439 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 464732949 GYHKBZHEWNMURM-GNZRSQJKSA-N 437.566 1.441 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)ccc21 471002418 ZDRIIDZJQPPBOG-KRWDZBQOSA-N 430.530 1.534 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)C(=O)OC 481762264 AEBVSSUFMCMAEF-CQSZACIVSA-N 434.308 1.635 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 504907842 IEPYIVMFXRSXDR-RTBURBONSA-N 431.452 1.685 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C(=O)OCC)cn2)CC1 508482606 YZXNHIFTOGHQAQ-KRWDZBQOSA-N 428.493 1.450 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(S(=O)(=O)CC)CC1 508800450 GDWCWBUBBADLTK-UHFFFAOYSA-N 430.578 1.889 30 10 IDEE C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1)C(C)C 516669603 XKSGTOUHIWRDJB-SFTDATJTSA-N 426.561 1.891 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC1 524154655 WNMQEOOXQBWWKW-UHFFFAOYSA-N 446.602 1.880 30 10 IDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 537550569 VAQVQLDXXDXHLJ-UHFFFAOYSA-N 434.566 1.235 30 10 IDEE CN1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)CC2(C#N)CCCC2)CC1 544749692 DSJUSZJXASSBEA-HXUWFJFHSA-N 430.574 1.996 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)CC2)n1 544864355 CDDPTOWKCCJNPG-RTBURBONSA-N 439.516 1.584 30 10 IDEE CN(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1ccc(Cl)cc1 545462657 MUXYFKHBVVGJTI-UHFFFAOYSA-N 433.921 1.576 30 10 IDEE COc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1OC(F)F 578805358 KFWJFPPRJPVSNV-UHFFFAOYSA-N 425.413 1.763 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccc(OCC)cc3)CCOCC2)CC1 604181295 DJSPIALOQBGCSG-UHFFFAOYSA-N 444.576 1.763 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc3c(c2)OCO3)c1=O 604995016 WPACEFPYVHWSAH-UHFFFAOYSA-N 434.477 1.233 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCC(=O)N(C)C3)nnc12 606409072 VXLZJLBOSDTGSD-ZDUSSCGKSA-N 426.502 1.059 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1C[C@@H]1CCCO1 618638092 RYRLLWJEJAMAJK-IBGZPJMESA-N 446.532 1.419 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC4(CCCOC4)C3)nnc12 673400828 ZYCBMCFFZXKNBJ-UHFFFAOYSA-N 425.514 1.961 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCN(C)CC1 729669396 OITIYJXYALEYSY-MRXNPFEDSA-N 449.580 1.942 30 10 IDEE N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCN1C1CC1 743163824 NQMYSCOUCQGALE-CQSZACIVSA-N 431.440 1.731 30 10 IDEE CCOc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccoc3)c2=O)c1 743730756 FHSCCVHOVJMDSC-UHFFFAOYSA-N 439.493 1.156 30 10 IDEE Cc1cc(C)n2c(C=NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cnc2n1 755553813 QBBFKVDFVOBMFF-UHFFFAOYSA-N 428.522 1.123 30 10 IDEE C[C@@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)NS(=O)(=O)c1cccnc1Cl 760318612 OGEBSESZCDHMNE-AWEZNQCLSA-N 448.936 1.407 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 768724127 GPEHABGTHSDKMA-WUKNDPDISA-N 428.836 1.107 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CCOC 769874432 UDSXOFFAZPTXFH-UHFFFAOYSA-N 449.598 1.181 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C)cc1 800763156 KXKIBRLIURVVOV-KRWDZBQOSA-N 429.550 1.121 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(Cn2ccccc2=O)cc1 919830095 BLYIIFDNMSZIQE-UHFFFAOYSA-N 436.493 1.252 30 10 IDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1137575925 HMYPOCGZPCICMZ-RHSMWYFYSA-N 446.895 1.254 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 1141896746 QJQJHBQRUZOEKQ-UHFFFAOYSA-N 443.305 1.871 30 10 IDEE C=CCn1cc(CNC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)nn1 1142659702 VKIZMNWCWNEPKH-UHFFFAOYSA-N 443.533 1.163 30 10 IDEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156670244 RCSIIBZALYPCNC-MDOVXXIYSA-N 425.551 1.809 30 10 IDEE Cc1oc(S(C)(=O)=O)cc1C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1161251135 TXWNCGNQXCESSL-UHFFFAOYSA-N 428.264 1.788 30 10 IDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCc2c(CC#N)cccc2C1 1175061431 GIFCXYGBLAYYJN-MRXNPFEDSA-N 426.542 1.506 30 10 IDEE COC(=O)[C@@H]1C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]2C[C@H]21 1178581017 MIANEKRAMWMPNB-TWMKSMIVSA-N 433.530 1.599 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1=O 1188422745 CYULYIAJQVCIJJ-UHFFFAOYSA-N 438.459 1.973 30 10 IDEE COc1nn(C)cc1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1256289359 CHKFSACMRMTUGM-UHFFFAOYSA-N 426.456 1.639 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286394428 OLQURLHWGRYKLJ-SFHVURJKSA-N 447.536 1.113 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)nc2ccccc12 1286410795 WTBUXMXLPTWIEP-QGZVFWFLSA-N 449.536 1.858 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286439990 ZZMHURVNZWIZHW-QFIPXVFZSA-N 441.539 1.813 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286481424 VLAJMNMAYNKSGJ-ZWKOTPCHSA-N 440.514 1.812 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(N2CCOCC2)n1 1286716618 ISHKVPQIPZBQEK-QFIPXVFZSA-N 428.537 1.832 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286782089 KAJYZQOSKGZDSK-MSOLQXFVSA-N 442.476 1.540 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 1286790456 FJVQTJUODTZHKI-INIZCTEOSA-N 432.525 1.655 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286815557 AZFSQRPUIGUQLS-GOSISDBHSA-N 446.533 1.759 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCc1ccccc1 1288825558 HMTGIFNQHVUWPJ-BEFAXECRSA-N 436.513 1.547 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(CNC(=O)c4cccs4)cc3)C[C@H]1CS(=O)(=O)C2 1289201579 PLXOSJIYAVFJBG-JXFKEZNVSA-N 429.523 1.688 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1297562492 BBUABPJWQLGAGK-QGZVFWFLSA-N 437.548 1.642 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCn2ccnc2C)CCO1 1299137609 JYTKJHSVNUDUQX-FQEVSTJZSA-N 448.531 1.753 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300482274 DKQUYNPYOQEDKE-FHWLQOOXSA-N 436.578 1.985 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1300493202 SLEVOXNBHFFAPG-INIZCTEOSA-N 444.561 1.047 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)OC(C)(C)C)CC1 1300695913 PGNNJPZPJWDEPB-UHFFFAOYSA-N 428.541 1.349 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCS(C)(=O)=O)CC1 1300708146 OZNBZFPGCZJEKY-UHFFFAOYSA-N 431.562 1.274 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(=O)NCC(F)(F)F)CC1 1300726106 LXRBUGVHOFXOJT-UHFFFAOYSA-N 428.459 1.121 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300843970 LVUVURFDEBYKIE-LSDHHAIUSA-N 428.331 1.422 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)OC 1301028957 CGVTUOCSEFAGFT-SFHVURJKSA-N 428.493 1.092 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1301093924 KHCUFZXZEVLHOW-UHFFFAOYSA-N 444.542 1.444 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1301424373 JXCLTNNXJLZIRP-IRXDYDNUSA-N 440.566 1.362 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1301808598 GJFDMHMQKAOAKQ-DENIHFKCSA-N 426.521 1.968 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301921127 RTRIWSURRXCBKL-UHFFFAOYSA-N 435.532 1.792 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1301972841 ZCSJXBXUVGFOJT-UKRRQHHQSA-N 429.550 1.780 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)C2)nc1 1303899727 KWYQPGRPQBYQEZ-AEFFLSMTSA-N 435.488 1.547 30 10 IDEE O=C(CCCN1C(=O)CNC1=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304253008 UKIQSOWMQXFZQW-YUMQZZPRSA-N 437.287 1.948 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1315962828 GOTDPFJQUWZGNE-AOMKIAJQSA-N 442.520 1.881 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)ccc1F 1320167468 WCEWVWZLNRLWEK-UHFFFAOYSA-N 439.468 1.966 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358955819 UPQDZUMVTDXIDY-ZWOKBUDYSA-N 440.552 1.572 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358964862 IUJHEYYLQKWZTK-LQBOVUBWSA-N 443.573 1.442 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1359048333 MSDGBROEOWDZHZ-UHFFFAOYSA-N 434.610 1.331 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 1359216400 VWHMIJRUBDBOPA-DLBZAZTESA-N 427.571 1.440 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1359467456 SHBKJJRPPZZZGO-JTDSTZFVSA-N 425.555 1.349 30 10 IDEE C[C@@]1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1360835704 VULYLCAHYOHQLD-SUMWQHHRSA-N 437.298 1.570 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3ccc4c(c3)B(O)OCC4)C2)C1 1454447519 BYBPOFWUHXUUEV-JXORXQGFSA-N 425.294 1.672 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](C(=O)OCC)c2cccnc2)s1 1455675053 KQWAFLWGRKZKTB-SFHVURJKSA-N 437.543 1.913 30 10 IDEE C=CCn1cc2ccc(NC(=O)c3[nH]n(-c4nc(C)cc(C)n4)c(=O)c3CCO)cc2n1 1456183166 DBMLTQUTOFFOIG-UHFFFAOYSA-N 433.472 1.895 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)CC1 1503782140 BJCSYLPTTBAEOL-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1503871699 APHUUIWAEIPDAC-HRAATJIYSA-N 443.529 1.596 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC[C@H](CO)O1 1507704365 YZSUXXUMWHAQQA-RBUKOAKNSA-N 436.516 1.961 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ccc(C)cc2)CC1 1507722342 UVZGGWYARGVRRZ-RBUKOAKNSA-N 444.605 1.756 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(OC)C2CC2)CC1 1507738420 OPXWKPZMPJLGEA-VGOFRKELSA-N 428.537 1.010 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507752304 YEUSAVRNZPURTJ-MOPGFXCFSA-N 446.621 1.281 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1508074035 NMMHZMZJVRNJJV-OAHLLOKOSA-N 443.462 1.705 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508080899 FTKIEYADSTXLAK-HOTGVXAUSA-N 443.552 1.935 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(CS(C)(=O)=O)c1 1511853169 FTSBWKDFFFXBPK-UHFFFAOYSA-N 438.513 1.714 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCO3)n2CCOCCCO)CC1 1521111598 ZWZIEOLMBWNMEU-GOSISDBHSA-N 427.509 1.122 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CC1 1533088070 ZDEBAOPGPJKKQW-GOSISDBHSA-N 436.603 1.693 30 10 IDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1538861104 BNPPAXPAYKCXOO-YKSBVNFPSA-N 448.479 1.934 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539132806 RDIKJFJZULALJP-UHFFFAOYSA-N 443.596 1.194 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539220336 ITKOSDRIBKPIFE-QRVBRYPASA-N 435.594 1.141 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1539240153 YIFABZRSYBOWRX-QGZVFWFLSA-N 439.545 1.401 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1539399185 FSQYNGQNGSHSRO-UHFFFAOYSA-N 447.561 1.196 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539434713 UIRLKFZUHFVXGA-MRXNPFEDSA-N 433.965 1.788 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2=CCCOC2)CC1 1539468030 AAHXOHIFIWJMOG-HSZRJFAPSA-N 443.548 1.243 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(N)=O)CCCC2)CC1 1539481703 NBLQKSWCIQYIRZ-GOSISDBHSA-N 442.564 1.531 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCN(C(C)=O)CC2)CC1 1539873973 ICONASMWJSOMSY-GOSISDBHSA-N 434.585 1.569 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C2CCOCC2)C1 1540877066 JRNZQTPDILQRES-HBFSDRIKSA-N 433.553 1.557 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1540888071 JIIIZJKBDVXSJL-QFIPXVFZSA-N 449.559 1.762 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1540899604 USOTTWGRNKSJPT-UHFFFAOYSA-N 446.982 1.680 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(F)(F)CC1 1540907504 YUONQPJNTCYWRN-UHFFFAOYSA-N 428.509 1.976 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1541991823 LWRSVWBFWCYSOL-KAGJPUAJSA-N 425.493 1.786 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1545122986 FTHZWXIFMJAQGS-LPHOPBHVSA-N 444.561 1.161 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1554373236 DLMBYXCBXBFJKB-CQSZACIVSA-N 436.520 1.560 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1554482490 ACTNNQXAFKFHIA-UHFFFAOYSA-N 445.531 1.686 30 10 IDEE O=C1CC[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC[C@@H]2N1 1557401613 LDSLBTIZOOVXFM-WBVHZDCISA-N 432.546 1.413 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)s1 1565666904 ISMUNVINMJKVBZ-UHFFFAOYSA-N 447.542 1.865 30 10 IDEE CN(C[C@@H]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1)S(C)(=O)=O 1568888829 WQJPIKJNJDPCAE-SFHVURJKSA-N 441.594 1.767 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1587555317 FEWXOKGIQNEIRG-QGZVFWFLSA-N 438.532 1.887 30 10 IDEE CC(=O)N1CCN(c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2)CC1 1587859532 NVHIUCRMEIOZFL-UHFFFAOYSA-N 440.525 1.780 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1588128471 LSAZGAAMGOWWNC-WJOKGBTCSA-N 436.541 1.516 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1588158986 NWXLHULQEUNXSE-HXUWFJFHSA-N 425.558 1.560 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(OC)cc2)CC1 1588733508 VWNQEFNMTPEXNN-UHFFFAOYSA-N 426.521 1.259 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCS(=O)(=O)CC 1589482981 MUMJEQBJSMBMON-HOTGVXAUSA-N 427.571 1.268 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1589484134 RIRVSPOQDWZDHM-ROUUACIJSA-N 430.553 1.458 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1593696668 UZFBKLOPSSOJMW-VGOFRKELSA-N 442.520 1.902 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1594625110 DQJBZMNGCLMWPD-BBWFWOEESA-N 427.571 1.581 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1594906068 CBNRZOJFDSFLNV-UHFFFAOYSA-N 432.575 1.818 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 1595536738 GISOQMHQFBCFRK-WBVHZDCISA-N 444.561 1.779 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1595722127 JBFRFBPMFXKPSD-QHAWAJNXSA-N 432.613 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1C(C)(C)C 1595831536 RSNLOKDCHRAGHY-RZQQEMMASA-N 426.583 1.949 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1595901105 PNXGCFKTDVWIGC-UHFFFAOYSA-N 425.605 1.758 30 10 IDEE C#CCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CCN(C(=O)OC(C)(C)C)CC1 1596141818 KXKUHEYIPJIAJM-UHFFFAOYSA-N 426.473 1.691 30 10 IDEE CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598483885 QHMILRQEAUHBPN-CSMHCCOUSA-N 432.333 1.944 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCc2c(nnn2C)C1 1611255045 FOWCULXREWWPKM-LBPRGKRZSA-N 434.294 1.900 30 10 IDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cs1 1611947425 IWRDTMIPSRJMED-RHSMWYFYSA-N 449.606 1.483 30 10 IDEE C#CCN(CC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)C(=O)OC(C)(C)C 1623361335 MTVMDEBYYKOEKD-MRXNPFEDSA-N 441.484 1.380 30 10 IDEE N#Cc1cn(CC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)nc1O 1625423817 CPCJWWPOJZGQGV-AWEZNQCLSA-N 436.255 1.757 30 10 IDEE CC(C)[C@@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)N(C)Cc1nnc2n1CCC2 1626682088 XAWUYABPQQJYNL-OJLWIZQOSA-N 427.480 1.745 30 10 IDEE CC(C)(CO)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1627638145 HUTZUSYCMMGXBX-IBGZPJMESA-N 430.530 1.776 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1627800438 UIGZZEJERGUBDI-ROUUACIJSA-N 435.569 1.442 30 10 IDEE C=CC1(CC(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)CN(C(=O)OC(C)(C)C)C1 1629140453 BLETVBBZFPDWMD-KRWDZBQOSA-N 438.569 1.095 30 10 IDEE CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1631137528 FZHUXERXLKKODA-WMZOPIPTSA-N 448.545 1.543 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)COc1ccc(I)cc1 1631344481 OLRXMKDSYLRVAN-GDBMZVCRSA-N 446.285 1.618 30 10 IDEE C#CCN(C(=O)NC[C@H]1COC2(CCOCC2)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1633609365 IBKIBMDKUDLHGU-SFHVURJKSA-N 437.537 1.953 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)n(CCC)c3ccc(OC)cc23)CC1 1636475430 HZGCNKSMTKJEIC-UHFFFAOYSA-N 432.546 1.594 30 10 IDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1637262099 HBZZJPQPEXMKNO-PVAVHDDUSA-N 434.518 1.493 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C(C)(C)O)C3)nnc12 1639026700 QAFXFMIWMZJCPD-CQSZACIVSA-N 427.530 1.942 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3NC(=O)C[C@@H]3c3ccccc3)CC2)cc1 1641029376 ZTDKPGPYGFFWCE-HXUWFJFHSA-N 438.509 1.964 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 1642410136 UHYUFZIOLYMEEO-MRXNPFEDSA-N 439.534 1.517 30 10 IDEE N[C@](C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O)(c1cccc(F)c1)C(F)(F)F 1651235148 FWDGIVXAQAHRRA-HNNXBMFYSA-N 442.291 1.683 30 10 IDEE CC(C)CN(C(=O)CN(C1CC1)[C@@H](C)C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1654164378 AQTUGPUSDWUNOB-INIZCTEOSA-N 438.532 1.945 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1658516751 YKBZRISRIFBPOW-UHFFFAOYSA-N 441.532 1.570 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3Cc4ccccc4CO3)CC2)cc1 1684346089 IBBFZUQRGIGODQ-FQEVSTJZSA-N 440.525 1.716 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1689848319 SMPFOEAWKLRLLX-MRXNPFEDSA-N 447.543 1.956 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1689892909 PRQWMFGMABKGSU-SFHVURJKSA-N 435.594 1.678 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1689990541 PQGMXCIUEKYHQQ-ROUUACIJSA-N 445.545 1.598 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1690093476 AGZQRTUWDASLMR-MRXNPFEDSA-N 446.577 1.296 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCc1nnc2n1CCCCC2 1690104862 KWHPOKXZAVYYIZ-UHFFFAOYSA-N 434.548 1.911 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCNS(=O)(=O)CC 1690212463 MNEAEYNPQHGQMM-OAQYLSRUSA-N 447.561 1.797 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1690218454 HJELAVGDRVFKBW-UHFFFAOYSA-N 442.362 1.567 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690662974 IBKNYMGHIAWAPF-MCPYQZEQSA-N 426.477 1.753 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC 1690674781 FIDXMSJNKJVWCE-GOSISDBHSA-N 426.521 1.089 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)C1 1690686268 LEBQBVFLHBIRPN-GOEBONIOSA-N 449.533 1.447 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690733608 JEHFIDHYDHAWEE-LJQANCHMSA-N 449.669 1.940 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1691452451 PYONHHADZNTWBW-UHFFFAOYSA-N 440.548 1.957 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N2CCOCC2)c1 1692541182 AOPLEEHSXGRLJL-IBGZPJMESA-N 439.520 1.030 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CN2CCOCC2)CC1 1696588174 GHRDNXFXCSTSCO-UHFFFAOYSA-N 437.548 1.454 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC(F)F)CC2)c1 1698488203 DWFNERSNCBAMEL-MRXNPFEDSA-N 433.463 1.657 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1705568507 OTDOVKNJXRAROI-ROUUACIJSA-N 446.577 1.524 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705653106 ZEMCHARWCIWWTC-SFHVURJKSA-N 432.594 1.039 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705704976 BESJCHMLVVSWEF-ONTIZHBOSA-N 440.548 1.586 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1705893515 LHDDQRJUMVEIFH-LRXVAGHRSA-N 432.569 1.105 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)(C)C)CC1 1705899054 GZCYQGSWKWXLAH-UHFFFAOYSA-N 440.548 1.939 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1706219180 FVTHLUDLLGANKK-GOSISDBHSA-N 433.520 1.735 30 10 IDEE CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1709915691 JGQKMCKWRVIVCF-CZIZESTLSA-N 426.477 1.945 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1711378026 FYWWRHVKYLMQIJ-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1711378849 ZMXIRXZROGWFHJ-QHCPKHFHSA-N 435.532 1.790 30 10 IDEE CNC(=O)CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1711393492 KXXPXOOJJJJNJI-UHFFFAOYSA-N 427.490 1.355 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)c1 1711692538 BJHZQPLHZUTOQN-OAHLLOKOSA-N 448.549 1.594 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722360185 DSMIFKKCSPAJEJ-RTBURBONSA-N 442.589 1.699 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1722413130 IOPFPMSWVOZLSL-KRWDZBQOSA-N 426.546 1.998 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722464964 VLODLFDBZJYDFG-HZPDHXFCSA-N 427.596 1.262 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722469638 DEDNSLPWUUHMEJ-QFBILLFUSA-N 437.470 1.934 30 10 IDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722642401 BGMMKEAXKGMLDG-MRXNPFEDSA-N 435.550 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1722696843 BSBFQFHOLNRFII-UHFFFAOYSA-N 434.504 1.729 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)C(C)(C)C1 1722702876 SPLRXQRXKDPJTE-HNNXBMFYSA-N 432.550 1.433 30 10 IDEE C=CCSCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1722738952 CTLLSOYXHQKFPF-NRFANRHFSA-N 445.593 1.966 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CC1 1726957536 NSQUEWOWHYEEKQ-ZDUSSCGKSA-N 430.534 1.904 30 10 IDEE CN(C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CCCCC1 1729290552 AQQKERBLOYKOCQ-GOSISDBHSA-N 435.532 1.919 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740575183 QVCWOWCKBGXZJS-JKSUJKDBSA-N 434.522 1.253 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncnn1C(C)(C)C 1740609924 VVUUGINYSQRMBU-UHFFFAOYSA-N 431.504 1.656 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740625470 FVOLSGFCEGTPIX-AQNXPRMDSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1740645463 GFULPKPTAYOFHW-ZDUSSCGKSA-N 437.476 1.127 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1740719937 VIBWUPODBZLLKC-UHFFFAOYSA-N 431.537 1.669 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1740722559 CHXKRZJXGOUVPA-GOSISDBHSA-N 435.410 1.596 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCNC(C)=O)CC1 1740820026 NYZZYNGKEOQDHG-UHFFFAOYSA-N 446.577 1.878 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCCC1(C)C 1740898949 BCFRQWGUJGLEGU-DNVCBOLYSA-N 427.571 1.174 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CC(=O)N(C)[C@H](C)C1 1740964126 IPBUGYONBFHXIA-MRXNPFEDSA-N 442.520 1.225 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740965681 RCWRWUHGHQCMJW-WMZHIEFXSA-N 446.596 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740988163 VNPKDGDCEOJCIX-WMZOPIPTSA-N 436.534 1.832 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1740993805 JHGJIGBPJHQXQB-VQTJNVASSA-N 437.566 1.661 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1740994245 LMBZUPIEUFZOQS-RDJZCZTQSA-N 437.566 1.005 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740999769 GRHVKSWFKVNIOZ-SFHVURJKSA-N 442.593 1.397 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCCCS(C)(=O)=O 1742905163 AMGOYABKRIZCIP-INIZCTEOSA-N 444.561 1.699 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1747388201 OXISMGDWFWMLPG-UHFFFAOYSA-N 447.561 1.619 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1(C)C 1748791197 QDDQXUCJGMUMOG-GJZGRUSLSA-N 427.596 1.212 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1748864117 QHECMKAIQFJCCV-GDBMZVCRSA-N 434.591 1.920 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nccn2C(F)F)CC1 1749008549 CDDCLHAPGQAALV-UHFFFAOYSA-N 428.447 1.879 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749659534 GNYLQJHPJSMYNY-IBGZPJMESA-N 435.532 1.862 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1749676386 OMHUDSXOPICJJY-HKBQPEDESA-N 438.557 1.940 30 10 IDEE CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1751049428 HENYYDLWYNPNLU-UHFFFAOYSA-N 438.536 1.532 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]1c1ccccc1 1751230927 FKTAOZFNHWZRTB-SPUZQDLCSA-N 430.534 1.421 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1760184543 JKSIRROWQSHUJE-LSDHHAIUSA-N 439.488 1.335 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1760186269 LNZPXXMUZWOIPW-SFHVURJKSA-N 431.562 1.333 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1760189967 MSAVOSVYFKTSHW-HXUWFJFHSA-N 441.557 1.864 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(C(=O)NCC)CCC2)CC1 1760270560 ZFBGQHQBBKXTDW-GOSISDBHSA-N 442.564 1.054 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCOCC1 1760297424 SIVHJCBRTIHZCA-OAQYLSRUSA-N 425.537 1.414 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760332734 ALIZUFQFRQJAHW-RYRKJORJSA-N 432.550 1.730 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760449590 OJMQYJKRYYMONR-PMACEKPBSA-N 445.612 1.427 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760451019 YCQPYWSTKCTWON-VGOFRKELSA-N 446.552 1.927 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760453125 OSPBCYHXWCMFFA-PGRDOPGGSA-N 433.553 1.722 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1760505185 NONZUEKKNDUUSF-SFHVURJKSA-N 447.561 1.826 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760533183 NDSVKTHGDUCFAM-LJQANCHMSA-N 449.515 1.690 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CCO1 1760667792 GABKYDUDJZHZSK-HXUWFJFHSA-N 431.456 1.671 30 10 IDEE C[C@@H]1COCCN1c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1763222147 GRRZPAXCEUCPIX-KTVWJZFRSA-N 436.516 1.815 30 10 IDEE CC[C@@H]1[C@@H](C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1765033632 FUJPMQAIFXAMHA-BMGDILEWSA-N 448.549 1.749 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1765816033 WMFNYGRJPSYTTF-ZJIOXEHGSA-N 446.552 1.939 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768265720 FAXIXSWKKXOPBX-UHFFFAOYSA-N 447.565 1.608 30 10 IDEE COCCOC[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1770163684 XZPLTEXQNXGVPF-JKSUJKDBSA-N 449.533 1.182 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)c1 1770312105 GRJQGJONECKMED-UHFFFAOYSA-N 445.526 1.430 30 10 IDEE COCCOCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1771266623 NGFJQZCZBDRTFM-QGZVFWFLSA-N 429.477 1.846 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CC1 1771361151 RLBOXMHJOPQXKF-UHFFFAOYSA-N 432.550 1.451 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CC=CCO2)cc1 1771533954 HHBIRLZZVUVXHO-GOSISDBHSA-N 429.502 1.309 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1771564714 RNAXZBYTQDWYKU-YXNALHSASA-N 426.399 1.449 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCc1cccc(F)c1)C1CC1 1772566411 YUJRNLZXDVJAIS-GOSISDBHSA-N 426.496 1.882 30 10 IDEE N#Cc1cc2c(cc1CC(=O)Nc1nc(N3CCN(Cc4ccccc4)CC3)n[nH]1)OCO2 1851200760 MRIQDVHZHMJRBB-UHFFFAOYSA-N 445.483 1.908 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cn2cnc(C3CC3)cc2=O)cc1 1852104691 OHBWPIMKYPQMLF-FQEVSTJZSA-N 438.484 1.315 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)C2CN(c3ncc(F)cn3)C2)cc1 1852767818 CDKQQCCFVQGBHN-HXUWFJFHSA-N 441.463 1.247 30 10 IDEE C=C(C)CN1CCN(C(=O)CCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C(=O)[C@H]1C 1854648829 QJEFUVLJVMFLNP-QZTJIDSGSA-N 436.578 1.428 30 10 IDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1)CC2 1857213126 CPNPMWOXEKQMOJ-ZBFHGGJFSA-N 428.924 1.567 30 10 IDEE COc1ccc(OCCNC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858422002 JQEODBBVVDRHQV-QGZVFWFLSA-N 429.498 1.773 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862595888 JKLLSMLCPVHEFG-SFHVURJKSA-N 441.396 1.720 30 10 IDEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C(C)=O)CC1 1868794746 FZYIVQHWWHOSAS-MOPGFXCFSA-N 445.589 1.610 30 10 IDEE COc1cc(Br)cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)c1O 1874436410 ZPVPIWBQNMABFM-CNHKJKLMSA-N 444.311 1.358 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 1889328020 LBWZRHSIKMGTHN-NRFANRHFSA-N 446.636 1.670 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(O[C@H]4CCOC4)nc3)CC2)CC1 1889403852 KDGLCLKXRXGQQP-QFIPXVFZSA-N 442.560 1.121 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1984924258 DKGXBAGEPIOUGM-CQSZACIVSA-N 426.514 1.672 30 10 IDEE Cn1nc(Br)cc1S(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206622866 QZFYGOZICMZTGR-UHFFFAOYSA-N 443.132 1.678 30 10 IDEE C[C@H](CNC(=O)C#CCNC(=O)OC(C)(C)C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212226263 OAXCWYXVDSVOSM-QVKFZJNVSA-N 425.526 1.639 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 2243273729 FHCKGERHQZZQPS-DBWCEAHUSA-N 425.526 1.637 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248437964 RZOOGYHLWPHZJT-NEPJUHHUSA-N 438.359 1.701 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]21 2255632232 KMVAQRQTLKKVOL-INWMFGNUSA-N 432.330 1.837 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2255647845 DWXIYZTXNMBTAZ-UHFFFAOYSA-N 446.744 1.761 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2255665391 FQSOLAAIVNEFAH-LSDHHAIUSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2255699423 PQDCJWLXWJCZQS-UHFFFAOYSA-N 433.314 1.404 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](CO)C1 2255712626 PQAMKSJAFVFXNV-HNNXBMFYSA-N 435.330 1.368 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 2255822554 NWCGHGVYZGSKAA-UHFFFAOYSA-N 436.314 1.599 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CC[C@@H]2OCc2ccccc2)n1 2255934053 XCOWSYPIAVUDCU-ROUUACIJSA-N 447.366 1.745 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)n1 2267112871 MVLLMXNWWLWTPA-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)C1 2267116203 NCKWIKRCBBZLIL-AEFFLSMTSA-N 439.369 1.755 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267526495 SUQAOPMVNWBRMU-GJZGRUSLSA-N 446.357 1.658 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC[C@@]2(C)CCN2C(=O)OC(C)(C)C)n1 2267573969 PGTCUBUBANMGPW-NRFANRHFSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 2268652887 JGIMGQJUXRIHHV-SFHVURJKSA-N 446.353 1.756 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](F)[C@@H](CO)C3)cc2Cl)OC1(C)C 2282304388 JYLUNWMNLODTMX-KOLCDFICSA-N 425.740 1.652 30 10 IDEE COc1ccc(C(C)=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)COC(C)C)cc1 2297709154 BTRUFUWAVZSJBQ-OAHLLOKOSA-N 444.492 1.466 30 10 IDEE Cn1nc(Br)c(Br)c1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367735922 GQIMSEYTWBGSND-QMMMGPOBSA-N 425.146 1.916 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)c3ccccc3)CC2)cc1 31031098 HYTXXSLHIJAZSV-UHFFFAOYSA-N 440.525 1.505 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cc(F)cc(F)c1 72444418 SIDULFZZZFBCKI-CABCVRRESA-N 443.410 1.615 30 10 IDEE C[C@@H]1CN(CCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCO1 433452458 GXVLJILGSISLJN-GOSISDBHSA-N 449.577 1.075 30 10 IDEE CC(=O)Nc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 435622132 PYGOWOAGFSIIDT-UHFFFAOYSA-N 426.498 1.592 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 460773386 JZROHMYJCDULGL-NVXWUHKLSA-N 446.577 1.862 30 10 IDEE CCOC(=O)CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CCC1 467188877 ZYOYNPMEXJVBOI-UHFFFAOYSA-N 441.488 1.872 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 482203677 AVXBXLKBTAEHPD-HNAYVOBHSA-N 426.498 1.537 30 10 IDEE Cn1cc([C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C(F)(F)F)cn1 487750225 MGKNVRSPQWSGHR-GDBMZVCRSA-N 434.378 1.917 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 499716803 BNQGOCWVMIEEFV-ILZDJORESA-N 427.545 1.959 30 10 IDEE Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 508690041 URSIGSQNAJZHPV-UHFFFAOYSA-N 436.907 1.992 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 508824994 JCLDLDGVLPOMEX-INIZCTEOSA-N 444.561 1.583 30 10 IDEE COc1ccc(CC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 511733325 FECJZQOCVUXPCQ-GOSISDBHSA-N 447.488 1.779 30 10 IDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1 520064782 FKBMQPRNGBHXNR-GOSISDBHSA-N 425.554 1.733 30 10 IDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 542800107 OKCXYKBOVKALQF-IBGZPJMESA-N 427.482 1.748 30 10 IDEE C=C(C)CN(CCN1CCOCC1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586152594 UBPCGLJSBAMEQP-UHFFFAOYSA-N 437.562 1.721 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@@H](CC)C(=O)OCCOCC)nc1C 586301974 GDFZATMVRLKRTM-CAMPQQCRSA-N 446.547 1.840 30 10 IDEE C=CCOc1cc(NCC(=O)Nc2nnc([C@@H]3CCCO3)s2)ccc1-n1cnnn1 586323166 WWSYDNVFOGSWDX-AWEZNQCLSA-N 428.478 1.981 30 10 IDEE CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)nc1 586861939 DVULETPOZPADBL-UHFFFAOYSA-N 439.447 1.234 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)[C@@]2(O)COP(=O)(O)O 605694565 VDOLADXQHJJIQS-VWUMJDOOSA-N 440.429 1.675 30 10 IDEE in-vitro N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 609686688 UCWDYWFAEOZJPB-HXUWFJFHSA-N 427.549 1.518 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cccnn2)CC1 725738280 VQWFUPIALPWBTO-UHFFFAOYSA-N 442.545 1.424 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)CCc3ccc(C#N)cc3)ncnc1-2 729458579 FCKVXHXTKQIPDW-UHFFFAOYSA-N 428.294 1.532 30 10 IDEE Cc1cccc(C(=O)N2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1 732464950 ANFYURRMFHWRBD-FMQUCBEESA-N 425.489 1.379 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(c2ccc(Br)cn2)CC1 733893490 ZFCUDWKPZQCOEH-ZCXUNETKSA-N 434.294 1.409 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)c1 744600410 DPNBKMPKTBGAIB-KRWDZBQOSA-N 436.486 1.333 30 10 IDEE C[C@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)Nc1sc2c(c1C#N)CCC2 744772362 HEPFEXAXUKQVSS-SMDDNHRTSA-N 425.532 1.793 30 10 IDEE C=CCS(=O)(=O)CCN1C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C1=O 762297867 SHJIZTZBZLIMGK-CQSZACIVSA-N 440.319 1.994 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)[C@H](C#N)C1 763323027 MKIXBCXYQRXOJD-CQSZACIVSA-N 441.531 1.150 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1noc(Cc2ccccc2)n1 767680718 NOWRUKJRPUDFRL-CQSZACIVSA-N 426.454 1.942 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CCCn2ccnn2)C1=O 784125158 MXSCGZHKXTZLLR-OAHLLOKOSA-N 431.909 1.961 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccsc1 790436869 FBLBPQRGOJPFMI-UHFFFAOYSA-N 427.555 1.596 30 10 IDEE C=CC[C@]1(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CCCN1C(=O)OC(C)(C)C 791719754 LDKXCRXRXAABOS-PONJGIIJSA-N 437.537 1.988 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)NCc3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796422976 XELWPGDJRLBCEK-RXVVDRJESA-N 437.500 1.839 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 800773978 ORSRQOWLKSKRDA-RBSFLKMASA-N 425.555 1.716 30 10 IDEE Cc1ccc(NC(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1S(N)(=O)=O 803921986 KQBNJYUBCFVQCW-UHFFFAOYSA-N 431.445 1.867 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(Br)ccc1O 804735747 ILVJDRSQYYVOGY-UHFFFAOYSA-N 438.303 1.900 30 10 IDEE C#CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC)[C@@H]1CCS(=O)(=O)C1 812042507 FCDALAJNTKIIEI-OAHLLOKOSA-N 440.529 1.322 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1-c1ccccc1C#N 917800039 VNWITIZZGJFOBA-UHFFFAOYSA-N 426.457 1.959 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 919317976 GZLOPUBDMIMRRP-UHFFFAOYSA-N 425.466 1.653 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)COc2cccc(Br)c2C#N)C1=O 1126808900 LHFCYFHAULUXSN-BBATYDOGSA-N 435.278 1.536 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)ccc1F 1130631055 IZNKNJWKXBKAGF-SIIHOXLZSA-N 442.509 1.767 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1=O 1130987138 PUHCQDUSJRWPMM-LJQANCHMSA-N 446.463 1.477 30 10 IDEE N#Cc1c(NC(=O)CCNC(=O)c2cc(F)ccc2Br)nc2n1CCOC2 1134818437 ZCGMTJDJMHFRDD-UHFFFAOYSA-N 436.241 1.945 30 10 IDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cn1 1137576260 NTVGWEIQEZNDON-GOSISDBHSA-N 444.341 1.597 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)CC1 1144027056 NFFKNOOSVJEKIB-UHFFFAOYSA-N 441.532 1.277 30 10 IDEE Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)CNC(=O)c2ccc(C#N)cc2)nn1C 1163530899 GUFWWUAGNDTRAN-UHFFFAOYSA-N 426.477 1.993 30 10 IDEE O=C(c1c(Br)nc2n1CCOC2)N(O)CCCN1C(=O)c2ccccc2C1=O 1184283848 SMTORCDPLMVVRS-UHFFFAOYSA-N 449.261 1.694 30 10 IDEE C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1191624685 GTKPUJYZYYUEPN-INIZCTEOSA-N 449.554 1.961 30 10 IDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nn1 1214355224 WLCLTUKNBQCPJL-GASCZTMLSA-N 434.522 1.584 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1227478346 AAUZVECQHRXDFE-YOEHRIQHSA-N 426.495 1.496 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1286431281 NPPDOVCUIMWPNJ-LJQANCHMSA-N 437.569 1.965 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1286464451 BAQJIOWCDDNKHV-MOPGFXCFSA-N 428.537 1.659 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCNC(=O)OC(C)(C)C)CC1 1286481575 GFJOPSGXDVNPAV-UHFFFAOYSA-N 439.564 1.934 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC2)CC1 1286495565 ZTZGMYLDWPDAHT-NEWSRXKRSA-N 431.537 1.004 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286606165 IJHPYMZCYWDPSD-JKSUJKDBSA-N 425.555 1.225 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@H](C)C1 1286776136 FRVMPEYSUUAAOV-CRAIPNDOSA-N 433.534 1.585 30 10 IDEE CC(C)N1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1287992473 BZLHYOQTMSXPAL-VZCXRCSSSA-N 427.553 1.993 30 10 IDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3nc4n(c3C#N)CCOC4)n(C)c2)C1 1289682648 CWFLJOFMDGLJOO-ZDUSSCGKSA-N 432.506 1.296 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1291205799 OABHKSUCGOKZFC-OSCRUYLVSA-N 444.536 1.702 30 10 IDEE CCO[C@@]1(c2nnc(N3CCCC3(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1296630846 MAIIMQHFHOIKSV-ZJIOXEHGSA-N 444.536 1.835 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2COCCO2)c1 1300334063 HPPRMAOOMKWKCH-MJGOQNOKSA-N 425.489 1.254 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1300422621 USBVJIWOLRJSKZ-UHFFFAOYSA-N 428.512 1.668 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300483507 KNSFKMVLMGSTOC-QZTJIDSGSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1300579396 UVGUCZHPTRVUTQ-MRXNPFEDSA-N 441.504 1.119 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1301152189 WCMXBLFNMMVHEU-HNNXBMFYSA-N 429.612 1.767 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301236782 JURGLVOZLPFPJK-ULQDDVLXSA-N 432.525 1.441 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1301337729 LSWMGQYLEADYAE-GOSISDBHSA-N 438.532 1.880 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301507075 VXQTYPHGYLGGQX-WBVHZDCISA-N 426.496 1.273 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)N(C)CC)C1 1301545277 DSSDDKAFVVLGKD-QGZVFWFLSA-N 427.505 1.976 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)C1 1301554564 IIKSWRFRGHNRIU-RTBURBONSA-N 431.585 1.038 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1 1301589481 SZYQKPCQXGDVHO-HNNXBMFYSA-N 433.525 1.160 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1301806264 ALDUKFFAIDAQNC-HNNXBMFYSA-N 449.556 1.899 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1303507663 WSJLLEXEKICXNP-DYESRHJHSA-N 434.541 1.210 30 10 IDEE Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304813844 PSERUVVDRFLIOI-UNEBPCJRSA-N 449.515 1.602 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)C[C@H](C)O1 1315822822 COVHXTYQWJUDIF-WDYCEAGBSA-N 433.484 1.953 30 10 IDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1323726722 COKNQEUHPWICBG-NRFANRHFSA-N 443.569 1.950 30 10 IDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCCCC)nn1 1348921209 XGDGWCWLWIIVAU-UHFFFAOYSA-N 448.549 1.949 30 10 IDEE CCOC(=O)CCN(CC1CC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1357796199 ZXLURVNDBBMTBO-SFHVURJKSA-N 426.473 1.955 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1358889420 BQVXFWPNHDBYEF-AEFFLSMTSA-N 449.602 1.861 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1358938466 BFDMVGFSAQHYCA-CQSZACIVSA-N 428.559 1.215 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358963881 PJYPCAHBJKDNOX-ZWKOTPCHSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358965369 TXKYOMLSGPWCGG-NQIIRXRSSA-N 429.546 1.052 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(N(C)C)CCSC2)CC1 1359030080 NUEYOIBIGWGPEJ-WIYYLYMNSA-N 436.626 1.195 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359059856 CGTYYVITDBAZHH-HXUWFJFHSA-N 448.618 1.521 30 10 IDEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359062112 WIAUBCRFOKOLLJ-DYESRHJHSA-N 435.594 1.742 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359131151 JJPSTOGMCFOKFZ-GOSISDBHSA-N 429.569 1.961 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1359164796 ZVHVESOUTQOISK-QGZVFWFLSA-N 436.538 1.784 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359183175 FBRFFBKVTJKTBG-GJZGRUSLSA-N 447.627 1.504 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@]2(CC=CCC2)C1 1359300987 OGFAGVAKQCGFPB-DYESRHJHSA-N 433.578 1.809 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)CCS(C)(=O)=O 1359327956 OZAIEZUPAMMCAS-UHFFFAOYSA-N 446.982 1.680 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359342284 UFNXLJMKPGGCRY-KDOFPFPSSA-N 425.580 1.163 30 10 IDEE NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1439746280 VGBAUVFENOTEBW-FQEVSTJZSA-N 441.528 1.624 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CCCN1C(=O)OC(C)(C)C 1453691108 OJPIVVZYHHHCHV-GOTSBHOMSA-N 449.548 1.256 30 10 IDEE COc1cc(/C=C\C(=O)NCCn2cc(C#N)c(O)nc2=O)cc(Br)c1O 1453841111 HQTHFDBIQHOGJH-IHWYPQMZSA-N 435.234 1.127 30 10 IDEE C#CCN(C(=O)c1coc(CS(C)(=O)=O)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1455808684 AMZWPBZVMIJQPD-UHFFFAOYSA-N 425.507 1.694 30 10 IDEE C=CCCC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)OC 1455833645 GHTDYMVJRGNMBS-CQSZACIVSA-N 430.548 1.521 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@H](C)O1 1464416751 DVEMIZBRCDINTN-KBPBESRZSA-N 425.445 1.099 30 10 IDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1464788154 HOBJQZCXQSVKLO-UHFFFAOYSA-N 429.502 1.546 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1502426489 BVNJZLMFHKZVHM-GOSISDBHSA-N 437.548 1.501 30 10 IDEE CSCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1505231986 MHFOJZKGVFULJZ-OTSFIGDKSA-N 447.565 1.333 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1507538911 PYTFKPXZYUDDHT-PKOBYXMFSA-N 443.573 1.523 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1507626479 GAEGDQDUXVDZSG-SFHVURJKSA-N 445.545 1.107 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(OC)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 1507627787 UAMYTIWWBAPFIO-KRWDZBQOSA-N 425.514 1.818 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2sccc2C)CC1 1507733577 DFOOSOWTNLBDEQ-UHFFFAOYSA-N 428.562 1.800 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(C)(=O)=O 1507752723 CSBSHRUGKGEAJZ-UHFFFAOYSA-N 428.530 1.994 30 10 IDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNS(C)(=O)=O 1507914394 JFCUDFIUSRPFDH-UHFFFAOYSA-N 438.554 1.594 30 10 IDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1(=O)=O 1508041440 BLHJAKUNDDRPFH-SFHVURJKSA-N 436.582 1.746 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1508091559 VGHWKTNPVKQXOQ-GVDBMIGSSA-N 448.568 1.824 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099492 ZIHWLBZPDIGHOL-HRAATJIYSA-N 435.525 1.010 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1519355189 JOPVPTPUNAIQTC-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE CSCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1520394357 BPBDSNUBXKWKPJ-ZBFHGGJFSA-N 441.627 1.208 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1536504963 DKRLIUHABYMEHS-CGTJXYLNSA-N 428.489 1.662 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1539221628 QTYJVXBDUQJVDQ-MSOLQXFVSA-N 433.509 1.729 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1539386447 NJPBOOXZKMTURR-SFHVURJKSA-N 432.496 1.630 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1539421002 MWQPJPDTSHHIOD-HXUWFJFHSA-N 427.553 1.484 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Oc2ccccc2)CC1 1539430094 HBBBVDQIBYINRE-ROUUACIJSA-N 446.577 1.111 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1539646173 RYSQCWQHUPVCDJ-NSHGMRRFSA-N 443.552 1.072 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1539978204 YMYDMNQFXCMHPV-UHFFFAOYSA-N 428.541 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@]2(CCOC2)C1 1540902333 HFVYQHMGGADEJM-QFBILLFUSA-N 426.539 1.116 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C 1545776287 BAYNBLKLZSRSTR-CXAGYDPISA-N 438.492 1.600 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1547253126 AHMHSCGBKLPEBL-QHCPKHFHSA-N 448.531 1.828 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC(C)C)CCO1 1554443995 KMGGGJJQKYQAOV-IBGZPJMESA-N 426.521 1.973 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)CC1 1562061777 RUGYYWRFYWJAPZ-UHFFFAOYSA-N 447.439 1.281 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1588385254 GYDQEOOEBRQJQW-MSOLQXFVSA-N 439.582 1.420 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C 1588550592 VKOROYYIKMXVRS-LZQZEXGQSA-N 447.536 1.971 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593747329 UPILFXDNRCMHKR-BTYIYWSLSA-N 432.525 1.189 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1595218618 LTWLJWJZTUUSQS-QGZVFWFLSA-N 430.534 1.760 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1595496796 HRYWGZVDJHBLQB-OAHLLOKOSA-N 442.476 1.002 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1597732944 GGCLDLJJXXKSEG-CDMIOBSGSA-N 448.543 1.888 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nc(C#N)cs1 1598155767 RSXHFQSGAFLXBX-ZDUSSCGKSA-N 428.536 1.870 30 10 IDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1612836806 GFYNDJJVDVZUHQ-CVEARBPZSA-N 429.546 1.991 30 10 IDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)OC 1613656185 CPABFEZUBJDDIV-ZWKOTPCHSA-N 439.520 1.710 30 10 IDEE CN1CCN(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)CC1(C)C 1618487941 FFMQSWSIYLSORJ-HSZRJFAPSA-N 442.612 1.557 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1619834425 IXLWLQXVHUXGFQ-OAQYLSRUSA-N 439.564 1.890 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1=O 1619937167 BPGALCVPHVJRIX-FQEVSTJZSA-N 437.548 1.452 30 10 IDEE C=CCN(CC(=O)OCC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1621708834 VUCUSYSHPCZEDP-ZWKOTPCHSA-N 440.518 1.403 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCN(CCC#N)CC3)ccn2)CC1 1632349321 VRTHGYGGXCNPLH-UHFFFAOYSA-N 428.537 1.810 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)C2=O)cc1 1635702002 YMFHJKNVKBLHKS-MRXNPFEDSA-N 447.417 1.764 30 10 IDEE COc1ncc(Br)cc1CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1637012537 REJDDMVMRQGPSM-LBPRGKRZSA-N 446.309 1.935 30 10 IDEE CSc1nc(O)c(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 1640085349 YGDIANFIOIOQSS-LBPRGKRZSA-N 447.517 1.331 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C2)c(=O)nc1O 1640636693 LKNAZAXYIIMSKF-CQSZACIVSA-N 431.861 1.360 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 1640846018 XRNAIKOPUTYHOW-JKSUJKDBSA-N 425.510 1.694 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)cc2C1=O 1643531813 PEPXKHSEYJNWTH-UHFFFAOYSA-N 430.457 1.816 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 1645163992 SXWIFEDWHMLCPF-OXQOHEQNSA-N 442.541 1.108 30 10 IDEE C[C@H](CC(=O)N1CC(Nc2cccc(C#N)c2)C1)NS(=O)(=O)c1cccnc1Cl 1647932395 AHHRMMZLGBDQDM-CYBMUJFWSA-N 433.921 1.986 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](Cc3cccc(OC)c3)C2)c1 1648114162 JIZOEJBCTBIDCN-LJQANCHMSA-N 427.526 1.263 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)c(=O)c1C#N 1650978734 IGGLRGOVAZJISW-OCCSQVGLSA-N 440.294 1.870 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H]1C(=O)OC 1653675323 GSTZGMKRYYNPFO-MRIWQRHASA-N 449.504 1.194 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1660647845 VBNCIMYBAWJXRI-ZBFHGGJFSA-N 436.477 1.773 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CC1 1666119095 MEVVBTFRZOMKGG-UHFFFAOYSA-N 447.561 1.320 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1670200014 GFPNPRAJUBMMHB-UHFFFAOYSA-N 448.541 1.916 30 10 IDEE C[C@]1(C2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)COC(=O)N1 1686084088 HNJNBMMDELELOV-PGRDOPGGSA-N 425.489 1.974 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1687563821 ODAIOMMZXCRFCR-UHFFFAOYSA-N 448.527 1.165 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1689914047 ZFWSDVRYVWGOQN-YWZLYKJASA-N 435.525 1.539 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1689924885 XQGZKRMPFAICET-OAQYLSRUSA-N 449.559 1.654 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1690092477 JZSYAIQFPYURQK-UHFFFAOYSA-N 430.553 1.393 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc3c2OCCCO3)CC1 1690110578 RINFBYKWFZJPGM-UHFFFAOYSA-N 438.532 1.381 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSCC(C)C)CC1 1690137271 RXMXBPJHEOYDOI-UHFFFAOYSA-N 434.610 1.771 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(CC)C2CC2)CC1 1690146637 SNVQGLDXJMVFIH-IBGZPJMESA-N 428.581 1.622 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690165936 OMNGOSUIXVKSEP-CQSZACIVSA-N 436.559 1.910 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690299599 YVLXSEDYBSNVTO-PMXSJFBMSA-N 446.596 1.567 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690674004 LRDMXEBVNHOEIP-UHFFFAOYSA-N 440.552 1.150 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)NC(C)C)C1 1690697352 TWIRRXISNGSIEI-QGZVFWFLSA-N 434.566 1.758 30 10 IDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690744346 NCODNVMLXDXCMA-JKSUJKDBSA-N 429.612 1.561 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1697061334 AAYSRRMUWUNNMM-QGZVFWFLSA-N 441.488 1.270 30 10 IDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1705526404 JQWAZBOOGFMXKP-UHFFFAOYSA-N 435.326 1.744 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1705541859 TWMANCLXORUONL-IRXDYDNUSA-N 430.578 1.405 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705566066 LRQWDGYISKMEIR-GJZGRUSLSA-N 432.493 1.081 30 10 IDEE C=C(Cl)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705760995 XTIOFRIRZSAGOX-IBGZPJMESA-N 427.933 1.542 30 10 IDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705826450 WFYUGMFTAWXLOZ-HZPDHXFCSA-N 435.912 1.946 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2)CCOC1 1706680528 RGHVZWUHJMNWBC-DENIHFKCSA-N 432.569 1.923 30 10 IDEE C[C@@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCO1 1707983623 BIEFWNPHLXKDLX-SJLPKXTDSA-N 444.561 1.713 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708473507 BGQIOFIZPHDGGL-DDPVOYOXSA-N 427.509 1.177 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(=O)NC)c1 1708756417 COVKTFNQRPNILH-GOSISDBHSA-N 439.520 1.333 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1711968276 XNPJOGHZIHRNHZ-ZBFHGGJFSA-N 425.493 1.462 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCCCC2)CC1 1712104051 BVBVPVPMYJDYQQ-UHFFFAOYSA-N 438.532 1.807 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(O)CCOCC1 1712563545 ZCYLFOWPIJYCFB-MJGOQNOKSA-N 448.568 1.110 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1722293128 BPVAWCUMNDQVMC-GJZGRUSLSA-N 438.579 1.158 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccc(-n2cncn2)c1)[C@@H]1CCS(=O)(=O)C1 1722368991 XOQHGAHLVUHJET-GOSISDBHSA-N 425.518 1.096 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1722369176 ZHDSQYWICRLIPP-ROUUACIJSA-N 445.545 1.251 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1722369522 AKLLMEGQLLGAQX-MLHJIOFPSA-N 436.578 1.675 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1722398363 WTMPBPJBKYYELC-JOCHJYFZSA-N 440.573 1.906 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1722403352 YOSLUTLNQOYJFB-SFHVURJKSA-N 444.605 1.796 30 10 IDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1722455477 ULIBOEGWJCZFTC-QGZVFWFLSA-N 437.533 1.002 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CC1 1722461275 NAOWLAJHLDVSKS-INIZCTEOSA-N 427.596 1.214 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(N)=O)CC1 1722465171 FLALJQZQNVEZHP-UHFFFAOYSA-N 429.546 1.934 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1722517965 QQMTXVNVBYHNGL-QGZVFWFLSA-N 425.555 1.360 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1722542951 BZZOCUITNZZPNT-UHFFFAOYSA-N 447.927 1.657 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1722725875 SKUVGAJRLMMKDP-HOCLYGCPSA-N 425.555 1.021 30 10 IDEE CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1724020635 DDFXRKSGXCFENH-ZMYBRWDISA-N 425.530 1.563 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2(O)CC2)cc1 1731181015 KIPMFEQSZUAXDR-HNNXBMFYSA-N 434.422 1.846 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N2CCSCC2)CC1 1731189313 FZSPDPDJYPDCFJ-UHFFFAOYSA-N 449.606 1.782 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740577533 HXFCPTCYHKLNKX-UHFFFAOYSA-N 447.609 1.851 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1nncn1-c1ccccc1 1740629506 QBUDCNWRJCMFDD-UHFFFAOYSA-N 430.516 1.898 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740683977 SUBLCZVQPDSEFL-INIZCTEOSA-N 441.458 1.028 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCn2cc(Br)cn2)CC1 1740695200 ITZIATMADUUJPU-UHFFFAOYSA-N 444.341 1.093 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(C(=O)NCC)CCC2)CC1 1740704243 KMEFSIDOJZSRJA-UHFFFAOYSA-N 437.548 1.545 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)[C@H](C)CCC)CC1 1740706327 VULKHTHXDUIHBC-MJGOQNOKSA-N 444.580 1.300 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 1740759631 DLUIYQWGVMMXQT-JZXOWHBKSA-N 431.541 1.062 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740796803 HPJUQDHXEDQPJD-GOSISDBHSA-N 437.504 1.535 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1740799749 VDTBPIZTQXIMED-GCJKJVERSA-N 433.553 1.724 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCOC2)C1 1740866168 YQIWMZNBPJVYGY-PXNSSMCTSA-N 439.582 1.584 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1740935836 YEMRUQQJHJJHMF-IBGZPJMESA-N 438.532 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740991841 GKXGJVYLCNSVJE-OALUTQOASA-N 439.626 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CNC(C)=O)CC1 1740992363 GABPYGDJUQWWPZ-UHFFFAOYSA-N 446.577 1.217 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1740996902 SLUAKEMXECUBCZ-JKSUJKDBSA-N 428.628 1.482 30 10 IDEE CN(c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1747659888 DUWZVBAEXMDSQR-HTXNQAPBSA-N 441.517 1.395 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)C1 1748170571 AFTKBPDSNYRVLZ-LJQANCHMSA-N 445.527 1.835 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748808597 LXLIBZLXAJESAR-QUCCMNQESA-N 442.541 1.926 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1748817110 FFXSCEYGMHWEIZ-DLBZAZTESA-N 446.529 1.171 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1748901257 VEPPXYMKYAIJLJ-QGZVFWFLSA-N 436.482 1.748 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1749005285 URAGSYPGQLDFMN-VQTJNVASSA-N 443.640 1.783 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749241313 IZGPRURLJGZUEB-SESVDKBCSA-N 446.596 1.711 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)OC 1749326516 BCMQPDBRVHOSOO-RTBURBONSA-N 439.520 1.518 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749354634 VPUVWFXXIPNFPC-ZIAGYGMSSA-N 433.600 1.114 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1749555300 GOEZAUIPORXHSJ-JLUOLNIDSA-N 438.488 1.323 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749736429 ITXNKDFNXPJQAL-HKUYNNGSSA-N 430.578 1.538 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)C(C)C 1749967866 TVXHBMQXTZJZPH-QRQCRPRQSA-N 444.536 1.944 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1750060652 IEDLGXUAOQFCKC-HUUCEWRRSA-N 443.537 1.113 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1750991760 WVZPDNCOARFDFI-ZDUSSCGKSA-N 436.314 1.299 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1751296647 NAWCLTNBIXIVRK-DOXHGZAWSA-N 445.549 1.087 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1760136851 CLEVDBMDFFLZAS-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nnn(C)n1 1760195643 FWPJFDYXISKBQO-UHFFFAOYSA-N 425.500 1.997 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC2(CCC2)C1 1760346078 HIUIQRJWFYTGKW-INIZCTEOSA-N 425.555 1.194 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1761269933 GLTSXUKMDPXGEQ-HOTGVXAUSA-N 432.550 1.758 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COc2ccccc2O1 1762301321 CPCJQQITLSGTSE-IRXDYDNUSA-N 440.504 1.765 30 10 IDEE CN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1)S(C)(=O)=O 1767000822 FAWBTGUTLQHWRK-UHFFFAOYSA-N 430.534 1.202 30 10 IDEE CO[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1768208700 FKYQYQWJNMRFJM-SFTDATJTSA-N 425.493 1.861 30 10 IDEE COc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1768445410 PCJLABRKWUZGHA-BSBNDGSWSA-N 438.488 1.705 30 10 IDEE 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N#Cc1ccc(C(=O)N2CCCC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1854906330 RMISTHGLRBAPQN-IBGZPJMESA-N 429.542 1.980 30 10 IDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)c1C 1855931887 JKKNYZFPPJOVTF-GOSISDBHSA-N 432.546 1.268 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CCCC)C3(CCCC3)C2=O)CC1=O 1856446817 LPLAKLIHNRBMRS-MRXNPFEDSA-N 425.551 1.134 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3c(F)cccc3Cl)C2)CC1 1857041951 OWENNUDSUZRGAJ-CQSZACIVSA-N 441.912 1.962 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nc(C)cc(O)n3)CC2)nc1C 1859431192 RQCUXWQQJPXUNG-UHFFFAOYSA-N 432.506 1.359 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cc(OC)ccc2OC)c(=O)cc1CN1CC(O)C1 1870736657 LMYIRPWNTDVYQX-UHFFFAOYSA-N 429.473 1.246 30 10 IDEE N#CC1(c2ccc(C(=O)NCc3nc(N4CCCC4)nc(N4CCOCC4)n3)cc2)CC1 1890145918 DHMRJDGHPOEYQV-UHFFFAOYSA-N 433.516 1.794 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)C1 1891234742 FZZVECOXLPNTLC-SFTDATJTSA-N 435.509 1.786 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013635379 COKCTADJWCEPOL-CVEARBPZSA-N 437.537 1.876 30 10 IDEE C#CCn1ncc(NC[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2162288232 PAWZTUCRFNNWQY-ZDUSSCGKSA-N 441.326 1.934 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1C#CCN 2164485802 CDJMTIAYEQZOOW-OAQYLSRUSA-N 429.473 1.763 30 10 IDEE C=CCN(CC=C)S(=O)(=O)NCc1nn(C)c(Cl)c1I 2174383801 KLKDCUJIHDFCAD-UHFFFAOYSA-N 430.699 1.687 30 10 IDEE CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](CNC(=O)C(F)(F)F)C1 2224077849 BDVXQVGIKVWBSS-AWEZNQCLSA-N 428.264 1.180 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2255615625 LCQGUIYYBQGAGM-NWANDNLSSA-N 432.330 1.837 30 10 IDEE Cn1cc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2255823877 ZCNAIBFATUZUFQ-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255838176 BJDUIXZNZJOXIO-QWHCGFSZSA-N 435.334 1.242 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267504243 PPBNFLXNFFSROD-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2267574104 QXHGTCQJEHCMPZ-FQEVSTJZSA-N 438.381 1.528 30 10 IDEE C[C@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)CC1(C)OCCO1 2282040568 KTVXIBYETVHETC-LBPRGKRZSA-N 427.738 1.892 30 10 IDEE C[S@@](=O)CCNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282509963 RZEMCGIESYRTEC-RUZDIDTESA-N 442.195 1.949 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2330266000 QMCLWDFCUZIKDB-UHFFFAOYSA-N 443.437 1.973 30 10 IDEE C=CCn1c(COc2ccccc2)nnc1S[C@H]1N=C2[C@H](N1)C(=O)N(C)C(=O)N2C 20220057 ULNSBGAHVYGIEF-WMLDXEAASA-N 427.490 1.313 30 10 IDEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(O)cc2O)n1N 20292324 YKIDIAXUWDEWMY-UFFVCSGVSA-N 443.489 1.979 30 10 IDEE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccc([N+](=O)[O-])cc2)CC1 59500184 SKBKDKUYNQCEDU-CPNJWEJPSA-N 448.461 1.885 30 10 IDEE C=CCN1C(=O)C(=O)N(Cc2nc(-c3cc(Br)c(O)c(OC)c3)no2)C1=O 445398508 VTFUPZXONWSERG-UHFFFAOYSA-N 437.206 1.690 30 10 IDEE CN(C)C(=O)CCN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446628762 OWDORFXXRMKJIJ-UHFFFAOYSA-N 428.537 1.449 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)CC1 474467136 JQHBJHFLILOFNK-INIZCTEOSA-N 426.521 1.989 30 10 IDEE C=C(C)COc1cccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 497657434 NJURZDLWALLAQY-UHFFFAOYSA-N 428.533 1.641 30 10 IDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505515978 PWCXMIJUXJTYDK-MSOLQXFVSA-N 425.489 1.623 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 537172677 SNTHXMBGEQWCJD-RBUKOAKNSA-N 445.589 1.028 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 545702304 GAJSRPRDWDCFHP-UHFFFAOYSA-N 440.485 1.827 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 546171065 DLIWRYJTPPIVHR-UHFFFAOYSA-N 442.497 1.237 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)O)ccc1Cl 548225195 UDVCLHJBTHEXDZ-KRWDZBQOSA-N 431.861 1.767 30 10 IDEE CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)CC#N)CC1 558013086 OFQVNOZZAVFCLM-UHFFFAOYSA-N 426.498 1.710 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1Cc1ccccc1 566713399 PFTQPKUJYXLNTJ-UHFFFAOYSA-N 448.548 1.781 30 10 IDEE C=CCN(CCC#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 583647851 KLSXSIDXKCLMKY-UHFFFAOYSA-N 428.308 1.731 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCO[C@@H](COc4ccccc4)C3)CC2)nc1 587655099 ZMPUGMURPSVVFY-OAQYLSRUSA-N 449.511 1.345 30 10 IDEE COCCN(CCC#N)C(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 589431497 DWOVHRPYEKIXPE-SOXBMFEASA-N 433.508 1.854 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H]3CN(C)C)nnc12 590001681 AWAHXOGSURJQPY-OAHLLOKOSA-N 426.546 1.875 30 10 IDEE CN(C)CCn1cc(NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cn1 615911907 DIJHLXIWARNJGD-UHFFFAOYSA-N 437.504 1.605 30 10 IDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105928 QGNKDAXMLRHXDO-MWTRTKDXSA-N 438.532 1.739 30 10 IDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(C)C)cc1 730143726 DDXKNKRKPPNDKL-QGZVFWFLSA-N 449.577 1.219 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 746141574 LOJFCGDHDBRRKH-XQNSMLJCSA-N 449.533 1.549 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1 753799360 OLDRRSDNQYMQOM-JZRFMTABSA-N 440.522 1.324 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCc2cnc(C3CC3)nc2)C1=O 755562914 OKENNVPKGFBMIA-IWZUTMLHSA-N 438.557 1.970 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCS2)cn1 757369794 FPFRTJYOCDLDMG-CVEARBPZSA-N 438.623 1.798 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1C1CC1 761158919 KJOYLTHAICFUMU-GXRSIYKFSA-N 438.576 1.190 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)OCO4)c2=O)cn1 772312844 YHLIRKVHPNBQKC-UHFFFAOYSA-N 446.488 1.797 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)n1 788578350 SRGCAXKONHSTAU-UHFFFAOYSA-N 438.937 1.802 30 10 IDEE C=CC[C@]1(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 790608751 ZGPMVPKNUANACL-JOCHJYFZSA-N 436.553 1.529 30 10 IDEE CCOC(=O)C1(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCOCC1 796727495 KKLXYGWACYUUBB-UHFFFAOYSA-N 434.392 1.742 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 800777733 UMGQNRABAWVXEL-UHFFFAOYSA-N 426.477 1.969 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 801150040 ZNNCHJWTPORKOY-GOSISDBHSA-N 441.509 1.008 30 10 IDEE COc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1OC 918586731 FFXMZNWCQSKBRW-UHFFFAOYSA-N 432.454 1.935 30 10 IDEE C#CC1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CC1 1130299373 HDNONANETTUUJL-UHFFFAOYSA-N 445.585 1.788 30 10 IDEE CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1133256583 VCMUEUGAORSKJC-HNNXBMFYSA-N 428.470 1.209 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(C(=O)CC#N)CC3)nn2)C1 1137370756 AADADWNJTYZFFH-OAHLLOKOSA-N 431.497 1.048 30 10 IDEE COc1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)ccc1C#N 1140137516 IEJIKOYDKKNNFC-UHFFFAOYSA-N 449.554 1.951 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 1157759482 ABCRONDXHRYMAA-QZTJIDSGSA-N 436.468 1.884 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 1188508585 XQSFZYHQTPALNC-KRWDZBQOSA-N 430.548 1.165 30 10 IDEE CCN(CCC#N)C(=O)CN1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1196275326 LZXNXSYNKRCOEO-UHFFFAOYSA-N 436.557 1.039 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cccc(Br)c2C)CC1 1248595074 HVKGGVKEJSHITB-UHFFFAOYSA-N 443.367 1.095 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)C(C)C)c1 1286307865 BUSIOAIBOYJEAB-QHCPKHFHSA-N 440.548 1.880 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286389375 IUVPKAZUTPOEHG-QGZVFWFLSA-N 431.562 1.826 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1286392458 MFCTURKEIGVZFA-RBUKOAKNSA-N 431.562 1.562 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1286476797 GABLGHXWJRNUSG-KRWDZBQOSA-N 442.568 1.689 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)NC 1286574098 UEOHDBVKCWYTOF-UHFFFAOYSA-N 445.549 1.144 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1286629765 NPGWLFTWTORTQR-BBWFWOEESA-N 444.001 1.480 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1286743278 YDLBAQIGRGIJBA-UHFFFAOYSA-N 442.545 1.623 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286784332 FAQPFWTUAUCJNR-CVEARBPZSA-N 426.521 1.895 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccsc2)C1 1286800831 RMAMWLFVCSEIHG-HOCLYGCPSA-N 425.580 1.974 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286815889 GKQMTSPCGIYZMB-INIZCTEOSA-N 437.566 1.604 30 10 IDEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1297914321 WFSUEDMZXKBAHA-QGZVFWFLSA-N 439.545 1.107 30 10 IDEE CN1C[C@@](C)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1=O 1298873015 BQCQUXPEJVEHHS-QHCPKHFHSA-N 436.564 1.938 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300407584 BBFAERUUYVEKFV-MJGOQNOKSA-N 441.580 1.212 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccco1 1300569525 NNVURUBFMVCETP-HSZRJFAPSA-N 442.483 1.884 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NC 1301410368 CXWUQYQSDCXWLZ-INIZCTEOSA-N 449.577 1.781 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@H](c2ccccc2)C1 1301509911 PQKOCUUDGOGGIU-IBGZPJMESA-N 438.532 1.671 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCCC2)C1 1301588241 DRMVWEQAGWCBRS-MRXNPFEDSA-N 442.607 1.552 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CC1 1301695852 GPACDPONRDWRMS-UHFFFAOYSA-N 447.503 1.028 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1301849788 FEUTVIZTGCTBTR-JOCHJYFZSA-N 434.504 1.410 30 10 IDEE C[C@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1305111353 BOQPMSAMVXVPRN-HYFFOGBASA-N 447.559 1.730 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1 1313828159 FRZLCNYTDSHBQQ-YOEHRIQHSA-N 437.522 1.386 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)c1 1315348004 DRYHIARCILFFLF-WVFSVQOHSA-N 431.468 1.944 30 10 IDEE Cc1cc(C(=O)NC2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c(C)o1 1321741879 CCMNGVSBRSYARL-CZIZESTLSA-N 429.477 1.327 30 10 IDEE CN1CCN(Cc2cccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)c2)CC1 1322422701 FVOHEQJKHLWSGC-UHFFFAOYSA-N 433.560 1.732 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCOC1 1355820871 HEFAWKMLWVHPMB-QFIPXVFZSA-N 429.521 1.923 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1358896013 VTXVAHNTRQWHEO-TZIWHRDSSA-N 436.560 1.759 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@H](O)C1 1358975931 JSGLTMASORIRFV-QFIPXVFZSA-N 429.528 1.366 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1358984299 PLJNFSJAAAKIBE-UHFFFAOYSA-N 442.545 1.159 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1359056658 JDZKIGWCVUNMRV-QGZVFWFLSA-N 425.624 1.325 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359091025 INYPDDOBCIDURG-AZUAARDMSA-N 427.553 1.948 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCS(=O)(=O)CC2)CC1 1359179415 VBAVEMWJKQIYAZ-KRWDZBQOSA-N 442.607 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C1CCC(NC(C)=O)CC1 1359330562 WJOQYBCYMLIPDY-UHFFFAOYSA-N 434.566 1.758 30 10 IDEE CCN(CC)C(=O)CN1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1449147880 BNBQXLRBSMZUCX-UHFFFAOYSA-N 448.589 1.827 30 10 IDEE C#C[C@H]1COCCN1C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1451200206 XMGNOBUNCJYFJB-KSFYIVLOSA-N 447.491 1.630 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(-n3cccc3)cc2OC)CC1 1455114596 FXUNHQNTBCFHIQ-UHFFFAOYSA-N 436.921 1.365 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1455201324 CKNLVPHUWHGQKR-SJORKVTESA-N 446.573 1.988 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)c1 1457131299 CQOHRMMENZWTRJ-OAQYLSRUSA-N 428.514 1.682 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3ccccc3)CCN(C(=O)C=C)CC2)CC1 1464845684 FXDKQPXQMWCIAJ-UHFFFAOYSA-N 436.556 1.017 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)s1 1471385950 LTVFJSLFLDYNDT-DLBZAZTESA-N 427.592 1.249 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3c(O)cnc4c(Br)cccc34)C2)c(=O)nc1O 1472370028 APBLXLJWABMCIK-UHFFFAOYSA-N 442.229 1.534 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C2)c(=O)nc1O 1472370946 MOFYPLMHMCUTNZ-CYBMUJFWSA-N 431.246 1.533 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC 1475469683 DXTKWAUCQYCCLH-UHFFFAOYSA-N 446.547 1.422 30 10 IDEE CCS(=O)(=O)C1(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1479009678 BXFKXOKHMBUZME-UHFFFAOYSA-N 442.545 1.747 30 10 IDEE C[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493639357 SXISGUIKEYDTQW-MODMUFLJSA-N 441.536 1.553 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1505039786 JDCVTPIRMWOITG-KRWDZBQOSA-N 426.521 1.927 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1507667039 JVGUKNDCHHJAHE-IRXDYDNUSA-N 428.537 1.853 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507670212 ZSLLQRLCACVAFQ-DHIUTWEWSA-N 433.556 1.860 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1507687469 OOZUHRVFDHRGIF-KRWDZBQOSA-N 436.516 1.940 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCNS(C)(=O)=O 1507699600 GUNOWAGQAHRMQC-UHFFFAOYSA-N 445.524 1.397 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CSCCS2)CC1 1507719003 JQHZXVRMTJQYND-FXAWDEMLSA-N 437.635 1.534 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1507750698 BZYBKTDRHQIJDL-XHSDSOJGSA-N 427.596 1.070 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507936884 KQKXNYPTOHTQBX-QGZVFWFLSA-N 439.520 1.719 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508079371 SLBSRMIYGJMPOP-SFHVURJKSA-N 449.559 1.808 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1508085772 WHXMUBZWMLOAHV-HXUWFJFHSA-N 439.564 1.115 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCOC2)C1 1508112744 BXXRVTOENAYAST-RDTXWAMCSA-N 438.326 1.968 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CC=CCC1 1509658000 QFRUPZZJSKLPIJ-UHFFFAOYSA-N 436.520 1.213 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(N(C)C)CCSC1 1512357289 ATIBZJWVPCGMRV-AOMKIAJQSA-N 439.589 1.921 30 10 IDEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1516669169 OPSHHQKCDUJMOA-HNAYVOBHSA-N 425.530 1.829 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1=O 1519192783 JLIPKWBVNIHIAM-ZHALLVOQSA-N 438.532 1.925 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCSCC1 1519320577 QOOAPQHPKVUVBN-IEBWSBKVSA-N 449.625 1.227 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 1519401964 NQWDRSKRFHMHLR-UHFFFAOYSA-N 448.531 1.905 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C[C@H]1OC 1519500634 HRMAZMVLVIDCTN-AQNXPRMDSA-N 425.489 1.924 30 10 IDEE C#C[C@@H](NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)c1ccc(Br)cc1 1528079570 BWGSDESSJPIECO-CQSZACIVSA-N 441.285 1.807 30 10 IDEE C#CCCN(CCOC)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1533858928 GWMCFDYPLKLFCA-UHFFFAOYSA-N 449.529 1.267 30 10 IDEE CON(C)S(=O)(=O)c1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)ccc1Cl 1536708143 HUVZDQYOGLSSDE-UHFFFAOYSA-N 428.894 2.000 30 10 IDEE CC(C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)c1ccc(Cl)cc1 1539118334 LULFNLGCMLUSCU-YVEFUNNKSA-N 430.935 1.289 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1539220091 PMXVQUJMECEQCF-HXUWFJFHSA-N 438.557 1.770 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1539259539 FTHVWOFGADGCCZ-JOCHJYFZSA-N 446.555 1.307 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2cccc(OC)c2)CC1 1539427330 AXTHNLUTVOWVQZ-UHFFFAOYSA-N 440.548 1.649 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1539459555 JPROTKKXWZQDKE-UHFFFAOYSA-N 436.516 1.025 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCSC(F)(F)F)CC1 1539477697 VYZWXCSJCPONCY-UHFFFAOYSA-N 439.467 1.954 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540035649 FXMXIFOQKFHUPN-MRXNPFEDSA-N 427.571 1.235 30 10 IDEE CN1CCN(C(=O)C2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1540799586 MHGKWFAUPXLJBU-UHFFFAOYSA-N 446.592 1.650 30 10 IDEE C=CCn1c(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1540860945 VHQICYFDXNZBEN-IERDGZPVSA-N 429.525 1.514 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](CC)C1 1540866140 DDXHLQBVGYRBEQ-QGZVFWFLSA-N 439.549 1.555 30 10 IDEE CC(C)N(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1541606110 DLLSNWFFKKFZSF-JOCHJYFZSA-N 438.511 1.974 30 10 IDEE CCOC(=O)CON=C(C(=O)N(CC)CC(=O)Nc1c(F)cccc1F)c1cc[nH]n1 1542554867 BCPIVBFCHVHPKA-UHFFFAOYSA-N 437.403 1.459 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)cn1 1543799283 BORJEZCVDMKBLT-SFHVURJKSA-N 437.500 1.824 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1545689300 ACRMUCQWZIEDSC-MAUKXSAKSA-N 439.520 1.073 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1548316008 HDNTWSWDCIDWLQ-MOPGFXCFSA-N 445.545 1.636 30 10 IDEE CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1552813310 IWNGMEICPAUSDY-INIZCTEOSA-N 427.484 1.496 30 10 IDEE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1F 1552832093 MNWMOXIYZBJMPJ-INIZCTEOSA-N 427.484 1.383 30 10 IDEE O=C(NCC#CCO)c1ccc(I)c(I)c1 1556370269 MQOYTULDLISZBO-UHFFFAOYSA-N 441.006 1.621 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806024 BCAIQAGZVOXGHT-OAHLLOKOSA-N 429.477 1.241 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(O)(C3(C(=O)OC)CCC3)CC2)c1 1561992636 CZYNMUFZINIRCS-UHFFFAOYSA-N 436.530 1.461 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1564416962 IBPYMCIXVCRWQM-PBHICJAKSA-N 425.555 1.008 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2=O)cc1 1585465589 YFLSSUVPNVRPMV-QZTJIDSGSA-N 438.488 1.170 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)s1 1587102645 HKBWCOYNGCKRSX-LBPRGKRZSA-N 425.498 1.850 30 10 IDEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCCOC)CC1 1587838039 NUSOZVRTHZGIDF-UHFFFAOYSA-N 444.967 1.897 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1587869046 JAGIRVWEXAZSTK-UHFFFAOYSA-N 430.578 1.976 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1588046120 XWLIPONAKSBIGE-GOSISDBHSA-N 446.492 1.956 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1588574505 KHYBWEWQLOKRHN-ZDUSSCGKSA-N 449.562 1.027 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1589069824 OKYONRIIWSMQEU-MRXNPFEDSA-N 432.571 1.815 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2ccc(O)cc2C1 1595789202 OZVDOITYASXEOO-UHFFFAOYSA-N 426.502 1.604 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1596830487 BMCKXEHPTDDMHV-UYAOXDASSA-N 438.580 1.802 30 10 IDEE C#CCOCCNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1597464631 ZPKSMHHYHUEMRL-NRFANRHFSA-N 435.480 1.535 30 10 IDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)O1 1611085242 HQDKQSNVTUFFGY-XWTMOSNGSA-N 425.526 1.995 30 10 IDEE Cn1cc(N2C[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CCC2=O)cn1 1611650515 AGYGZNIJANIIMO-CQSZACIVSA-N 425.445 1.067 30 10 IDEE COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1619598959 CDGIUIUFHDPEME-HOTGVXAUSA-N 437.508 1.311 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 1621678890 HEVHARMUXZUECO-AWEZNQCLSA-N 430.523 1.426 30 10 IDEE C[C@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626655464 FTRDUQLQEKWXAJ-MMPTUQATSA-N 431.283 1.752 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1COC(=O)NC1CCCC1)c1cc[nH]n1 1629245748 PNTFVHMBELYDMN-MRXNPFEDSA-N 449.508 1.743 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)s1 1636024555 SFHKGMQCEWTRJF-ZDUSSCGKSA-N 441.497 1.134 30 10 IDEE C#C[C@H](NC(=O)N1CCN(C(=O)N2CCOCC2)CC1)c1ccc(Br)cc1 1636562036 HYFTZXQWBDVXCI-KRWDZBQOSA-N 435.322 1.903 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@@H](C(F)F)CC2)CC1 1644109617 UKWFFEVBMFXYNY-OAHLLOKOSA-N 435.431 1.811 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1649568183 VBXLMDSEBXSBPM-FTFAEBDGSA-N 443.552 1.958 30 10 IDEE C=CCN(C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1663707720 UPCWAZNKPYSDSB-HJWYETAXSA-N 442.563 1.608 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2)C(=O)OCC 1664948127 YTZMLUGLUJSLAS-ZBFHGGJFSA-N 431.894 1.906 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)CC1 1678929408 BBCNGHFGJIOJMV-GOSISDBHSA-N 440.541 1.414 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3COc4cccc(Br)c4C3)C[C@H]1CS(=O)(=O)C2 1683643702 KEUAXIBKMMYFDR-PRXAMGSTSA-N 440.319 1.332 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1684806991 QCNIDSFLCMZTRG-JOCHJYFZSA-N 434.544 1.994 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCc2nc(C#N)cs2)C1 1685441791 ZZHDXBZMWIAZLA-ZDUSSCGKSA-N 436.538 1.577 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1689966600 WRBWTPTZEFPIOZ-GOSISDBHSA-N 429.502 1.475 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689991765 CBLDFFZNJLIXOO-LJQANCHMSA-N 443.504 1.979 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1690666022 WMCLBXMTDZXDBW-OAHLLOKOSA-N 429.477 1.264 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690673773 CXLCEHWTHQUWGY-JOCHJYFZSA-N 426.521 1.076 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1692657076 CYPBQPLLQQYZKE-UZLBHIALSA-N 428.566 1.681 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1693853128 OTLUCCATRCAELU-VQIMIIECSA-N 428.562 1.924 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@@H]1C 1697074822 GQISIIGOAHHHDU-INIZCTEOSA-N 440.504 1.635 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1698218219 OGCQRIGVXGRODB-SFHVURJKSA-N 433.534 1.493 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705510211 OJVIKPRIKRJVDF-HZPDHXFCSA-N 436.582 1.187 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705547405 GBRGNVGIVLWJFU-OAQYLSRUSA-N 448.545 1.360 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1705551020 FBBFGELYLCKHLC-OAHLLOKOSA-N 430.513 1.325 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1705564820 CXCAPUZHQSXILC-MXTNKPTQSA-N 449.577 1.204 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1705591352 BJFRTLKWRRLFMP-UHFFFAOYSA-N 445.321 1.357 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705745187 BWUGFXFTMNEAGL-KRWDZBQOSA-N 440.976 1.499 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1c(C)nn(C)c1C 1705909043 KSJTXCBWMDXOAB-LPHOPBHVSA-N 431.541 1.291 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCN(C(C)=O)CC2)C1 1705920198 SMGPUAXCFTZTNP-LJQANCHMSA-N 428.537 1.792 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705937634 ZRSKRUYYKHAHIM-GOSISDBHSA-N 434.566 1.626 30 10 IDEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1706399266 BFBLJMBIIGASFB-QGZVFWFLSA-N 430.575 1.297 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1711203776 MDIPXHLHWCQAPK-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE COCc1nocc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1712228213 WDYJBXXSYAPOJU-FZKQIMNGSA-N 437.526 1.201 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722360669 BWCCIZWHWDLBTG-HNNXBMFYSA-N 448.545 1.360 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C)CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1722367620 NABCLLGDLONHAV-AZUAARDMSA-N 449.621 1.531 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1722377071 NUQKNFGPIVGVEX-WJOKGBTCSA-N 434.529 1.295 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@H]2OC)CC1 1722440576 KGQORBIZTRCIHE-ZWKOTPCHSA-N 442.589 1.840 30 10 IDEE C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1722459160 DRDYSTVXYCVPQJ-UHFFFAOYSA-N 448.593 1.695 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722482497 AYDGMEQXLKXLPY-GLJUWKHASA-N 440.342 1.912 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1722573335 VCOXXHJKTUFMSM-UHFFFAOYSA-N 426.521 1.731 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 1722696397 LMUXSTRKMHFZKI-UHFFFAOYSA-N 428.512 1.687 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1722706069 MHKDOMMJJKJUOC-INIZCTEOSA-N 430.484 1.403 30 10 IDEE CC(C)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1723660742 NQDFINNTJZXZKS-LJQANCHMSA-N 437.548 1.974 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOC(F)(F)F 1723934478 XTIOFFNUCAZPDM-GFCCVEGCSA-N 438.476 1.945 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1728708477 BTZDVCXJRHAAJO-MOPGFXCFSA-N 440.504 1.947 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1729907518 HDUFYLCXYRTUMQ-KBPBESRZSA-N 426.468 1.656 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c(OC)c1 1730091821 YJYKYGBJHKPJNG-QVKFZJNVSA-N 426.477 1.169 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cn1cccn1 1740533166 PSSSHWSDRKDMLH-DLBZAZTESA-N 441.561 1.639 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1740618999 FGXDSVUKBIJXRV-ZWKOTPCHSA-N 431.493 1.428 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C(=O)NCC)CC1 1740705998 OOYICIDAFMZJCY-SFHVURJKSA-N 444.580 1.300 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740716751 YKMYPIBURRHMPM-ROUUACIJSA-N 442.593 1.721 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740720350 VTIHYYVKINKFHC-MOPGFXCFSA-N 446.621 1.314 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740721544 MAZKVHYDTUDFJB-QGZVFWFLSA-N 438.513 1.736 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740803646 LSVMQSGIIOFDKZ-OAHLLOKOSA-N 449.943 1.575 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 1740890758 IEFQBVXICMEVSH-LLVKDONJSA-N 448.475 1.431 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740964257 MKUWGJZXBSUGEF-SFHVURJKSA-N 447.561 1.481 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCOCC2)C1 1740971010 SMWIMQGLVAUZKB-ZWKOTPCHSA-N 441.536 1.427 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740995455 MMOWMDUFGZKEQV-VQIMIIECSA-N 428.555 1.145 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CCO1 1741104256 GVXUWNYLYCQPDZ-IBGZPJMESA-N 439.520 1.073 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1742906345 HHKBHGAWHQXUGG-QGZVFWFLSA-N 437.548 1.594 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1746408013 DUIQICOWQAYIKD-RTBURBONSA-N 428.562 1.924 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1747372289 LORNHJIZCRPUEV-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748717895 LENDNAODRTYLST-GHTZIAJQSA-N 439.516 1.935 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCn1cccn1 1748745346 OYZPYQGYIBRWBT-UHFFFAOYSA-N 426.550 1.985 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(C(C)=O)CC1 1748776788 QBQXCMVXPZKJCB-UHFFFAOYSA-N 429.546 1.677 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748801809 HEXAPGXGIBKAPB-INIZCTEOSA-N 437.566 1.002 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1748894915 KLUYDPNNBNVOMP-JOCHJYFZSA-N 426.542 1.190 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748948438 MWBTXKOFQNVTGH-UHFFFAOYSA-N 430.553 1.916 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(O)CCN(C(C)C)CC1 1748959451 UHNKNZYILPZAHN-UHFFFAOYSA-N 426.565 1.970 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1748987259 QRUNXFAQGWHEOE-UHFFFAOYSA-N 444.543 1.435 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C2CCCC2)CC1 1749010203 PFZXSMGAAPXBII-LJQANCHMSA-N 441.580 1.069 30 10 IDEE C#CCSCCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749048498 OLBNKTRUMJXHKV-DENIHFKCSA-N 449.621 1.990 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749401599 AMVOXDBKDMODCV-OALUTQOASA-N 437.610 1.695 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760155366 WMDUUYQZSQCYPB-SFHVURJKSA-N 443.577 1.327 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC(C)C)cc1 1760175400 IXPSCMJXJRWDOR-IBGZPJMESA-N 447.561 1.516 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1760190021 XICRVZHWGPWHIC-MSOLQXFVSA-N 438.594 1.740 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ncccc2C)n1 1760252250 LOVJHZPKJXZKAB-UHFFFAOYSA-N 445.531 1.913 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1760294368 UWCYZKIAZIVWGO-VWKPWSFCSA-N 436.507 1.577 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(OCC(N)=O)CC1 1760344712 AQLIUBBVTWIDCO-UHFFFAOYSA-N 447.565 1.285 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760350193 YSBUBHRIEMBJOS-UHFFFAOYSA-N 445.593 1.191 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1760504932 GMQMWBFBNQMCDS-LPHOPBHVSA-N 434.562 1.921 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNS(C)(=O)=O)C1 1760538533 ZRHFHHJTDIAIPT-MRXNPFEDSA-N 425.942 1.929 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760565823 FRIIESIRNWVJCA-GDBMZVCRSA-N 427.596 1.156 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 1766408624 HXFAUJVZBZJEIA-HUUCEWRRSA-N 448.478 1.616 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1766441502 FXIJICXMVAOSSC-IAGOWNOFSA-N 428.518 1.109 30 10 IDEE CCOCc1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1767919322 QGXFCQGPUKYFOP-RSBDWGPQSA-N 430.509 1.489 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(C)(C)COC 1767930734 GFNCJIHPWLUDFO-UHFFFAOYSA-N 430.557 1.727 30 10 IDEE COCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1770081574 JUMLJQZCAHDWNA-UHFFFAOYSA-N 447.499 1.612 30 10 IDEE COCCOCCCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770145211 JSICZXHBILVPEF-UHFFFAOYSA-N 437.504 1.872 30 10 IDEE COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)c1 1770300344 GWIBYIKQFWCGPE-HNNXBMFYSA-N 427.509 1.451 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1771198531 JQNDRNWPBRTDDZ-OXQOHEQNSA-N 439.582 1.957 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CCC(=O)N2)CCO1 1771537566 QLHAAUCCOXYEJY-CHWSQXEVSA-N 449.284 1.854 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NC[C@H]2C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772788878 ILMSUYQESDMQOQ-AWEZNQCLSA-N 429.429 1.114 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)C(F)(F)c3ccccc3C#N)CC2=O)C1 1774180595 XKKHYVZORNZPJH-CQSZACIVSA-N 434.443 1.986 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2cccc(Cl)n2)C1=O 1854289789 CGBKFEURYUGQQB-INIZCTEOSA-N 425.880 1.348 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)C1 1855278898 KWMJWBPZMCWDEW-MRXNPFEDSA-N 429.901 1.489 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(Oc4ccsn4)CC3)CC2=O)CC1=O 1856796724 VLGHOQMPBJOKSS-CVEARBPZSA-N 432.546 1.396 30 10 IDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C1)CC2 1857211955 DOPSQGJSJUNJRK-ROUUACIJSA-N 429.542 1.851 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1CN(C)CCO 1870705609 JYTOGQVHKXPEDH-UHFFFAOYSA-N 443.500 1.653 30 10 IDEE C=CCn1c(C(=O)Nc2cc(OC)cc(OC)c2)cc2c(N(CCO)CCO)ncnc21 1873646163 GSQJKURLOWQFCX-UHFFFAOYSA-N 441.488 1.678 30 10 IDEE CCn1nnc(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1881502050 VCJGKUMWAMYDNP-NEPJUHHUSA-N 428.335 1.505 30 10 IDEE CC1(C)OB([C@H]2[C@@H]3CN(S(=O)(=O)CCN4C(=O)c5ccccc5C4=O)C[C@@H]32)OC1(C)C 1959801153 KIXAPHHWSPDVAL-FVQHAEBGSA-N 446.334 1.636 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@H]1[C@H]2OCCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C 2006263280 OVBPNPVDMSJFLX-LPWJVIDDSA-N 425.345 1.885 30 10 IDEE C=C[C@@]1(CO)COCCN1C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2022245089 BGTPRVGRYIRYFP-WMZHIEFXSA-N 433.549 1.788 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2023499669 VKHUBTVUOQQENG-SWLSCSKDSA-N 425.345 1.983 30 10 IDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCCO 2130103046 CXLNRYYYVWMQDI-AWEZNQCLSA-N 432.523 1.759 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545223 MMZFPIHPXIEVSC-KBPBESRZSA-N 434.346 1.847 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(C)(C)NC(=O)OC(C)(C)C 2255596070 BQCAFUWHPQIXIQ-LBPRGKRZSA-N 437.350 1.536 30 10 IDEE C[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2255650297 YULCSQVKJNCCOC-DZGCQCFKSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255807851 YWDZNRRZUFWVIN-UHFFFAOYSA-N 436.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255881814 DGJFZMGZHWJZGJ-UHFFFAOYSA-N 436.293 1.465 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256018149 KNYACTJMSJFXFS-CQSZACIVSA-N 436.314 1.307 30 10 IDEE COc1ccc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256612932 GPNZADBVOVPRPF-INIZCTEOSA-N 436.314 1.819 30 10 IDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256678352 CLSBXDYYULDLKV-AWEZNQCLSA-N 434.346 1.774 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2267188751 QHWJOATYDSBMDN-AAEUAGOBSA-N 444.263 1.248 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267266961 SXDNKTBYZGQNCH-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267271235 QWNAYTLHKYHWDK-KRWDZBQOSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2267274965 HVVJDFPXODIUPY-HNNXBMFYSA-N 444.341 1.905 30 10 IDEE CCn1cc(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2267494647 UIJZZGHRIUCAAD-NWDGAFQWSA-N 442.247 1.190 30 10 IDEE Cn1ncc(C(=O)N[C@H]2[C@@H]3[C@@H]2CCCN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267506223 UVUQSECMFKUHAJ-BMFZPTHFSA-N 446.357 1.847 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C=CCN1C(=O)OC(C)(C)C 2267517491 UPOILIATAMYQSI-HNNXBMFYSA-N 446.357 1.933 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ncc(C#CCCO)cc1F 2283640152 YVCUBAIIKLCZCZ-UHFFFAOYSA-N 431.445 1.383 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 2296624969 UEVDJUWWDZUGPY-LJQANCHMSA-N 425.489 1.186 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@]2(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)CC[C@H]1C2 2320551617 NFXYTPXUMSNRBW-YEJXKQKISA-N 432.330 1.981 30 10 IDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3N=Cc3ccc[nH]3)CC2=O)cc1 2325880621 UZMVKAPCVIVYBK-CYBMUJFWSA-N 439.501 1.595 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@H]1CCN[C@H](C(=O)C=Cc2ccc([N+](=O)[O-])s2)C1 2328106896 TZINLOBDXRRKCC-RDJZCZTQSA-N 442.497 1.905 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2332920542 AZQZKXKSODLNQF-IXDOHACOSA-N 448.325 1.265 30 10 IDEE CN(C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)P(=O)(N1CCOCC1)N1CCOCC1 6878613 SPGSBBOOHPLLPI-ZPHPHTNESA-N 426.414 1.697 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)cc1 20527320 RXSARDUZMAUJIH-SSDVNMTOSA-N 427.490 1.561 30 10 IDEE Cc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 439000203 WQPQCSPPJPJDFO-UHFFFAOYSA-N 440.481 1.344 30 10 IDEE N#CC1CCC(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 442970169 FGHYBMMIFIOVJE-WINAAZSOSA-N 425.938 1.910 30 10 IDEE COc1cc(N2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)ncn1 460909682 PIYGJPZWZMNVCF-UHFFFAOYSA-N 438.307 1.630 30 10 IDEE COc1cc(CNC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)ccc1C#N 464701888 VMVSIXFGJWQBTR-OAQYLSRUSA-N 429.498 1.638 30 10 IDEE N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N=c3cc([C@H]4CCCO4)[nH][nH]3)[nH]2)c(Cl)c1 472983663 DNSCPKZSGIKOCM-OAHLLOKOSA-N 425.836 1.393 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)cs1 478752715 GVYKSCVUWAWOMT-HOCLYGCPSA-N 445.566 1.353 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 479838814 UFYAXZGOWFDXKT-MRXNPFEDSA-N 432.546 1.476 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 503491302 ZSDRBARFCATZHH-UHFFFAOYSA-N 427.530 1.623 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 549248091 JYJVXOGRCSEDDF-IEBWSBKVSA-N 432.569 1.511 30 10 IDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1 549891267 WXHLPUNGVCYWSG-HKUYNNGSSA-N 445.545 1.779 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCCN1C(=O)c2ccccc2C1=O 552073231 VLZVKKRECHHGBV-INIZCTEOSA-N 432.484 1.852 30 10 IDEE C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 555290594 PAUFAYWHDQTNNA-UHFFFAOYSA-N 435.532 1.991 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CC1 604178158 VLTPDEKTHYYUHH-UHFFFAOYSA-N 435.519 1.559 30 10 IDEE N#Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c(F)c1 729832876 QUJNINWVKWBZID-INIZCTEOSA-N 443.456 1.951 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730141420 JXOOBLATCBWRFA-XJKSGUPXSA-N 437.541 1.350 30 10 IDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 730143600 UUXMHIVVIJHHOH-GOSISDBHSA-N 433.578 1.521 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732650285 MOVUPHDYXBMIJV-GPMSIDNRSA-N 432.546 1.297 30 10 IDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 739837325 ISVLNMVRKNYMID-UHFFFAOYSA-N 447.524 1.961 30 10 IDEE COC(=O)[C@H](OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1ccc(C#N)cc1 740201012 PQXRRYDIRMKTFT-GOSISDBHSA-N 427.438 1.396 30 10 IDEE C[C@@H](CC(=O)N1CCN(C(=O)C2CCCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742588216 XCTQQRXJZHJHIJ-INIZCTEOSA-N 446.573 1.755 30 10 IDEE CCOC(=O)[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742708027 FCXWANURCDEFOQ-CRAIPNDOSA-N 443.525 1.967 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 743726794 UYHZIERPRBWNQP-UHFFFAOYSA-N 428.583 1.814 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760772673 KGBYEIJHSKXTLV-HSZRJFAPSA-N 448.483 1.078 30 10 IDEE Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 786538697 BFNMUUYLYFFTGD-RBBKRZOGSA-N 444.491 1.796 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)n1 788555506 RSOKUUQJRYIWGV-QGZVFWFLSA-N 434.522 1.061 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)n1 788964528 HLPBSYQOACBPEM-QGZVFWFLSA-N 447.561 1.686 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 809896143 FPHFWSVOLCWPGI-CABCVRRESA-N 441.554 1.396 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 914595006 QALTYPMDVQSJEK-CVEARBPZSA-N 425.441 1.835 30 10 IDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)Cc3ccccc3C#N)C2=O)cc1 916775168 MIOSJCVHEJKNBZ-NRFANRHFSA-N 440.481 1.280 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3CCNC3=O)cc2)cc1 1132340906 BSOBDAOHHVHRGX-UHFFFAOYSA-N 441.513 1.334 30 10 IDEE CN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 1134057053 ZHTDDAXFUBRYRW-BZDUDZIASA-N 439.896 1.395 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)cc1 1152007173 IWTNMZCADUPKTC-NRFANRHFSA-N 441.553 1.537 30 10 IDEE C=CCOC[C@H](NC(=O)CCOc1ccccc1I)C(=O)OC 1155779975 VZGCGOAWUMGVGJ-ZDUSSCGKSA-N 433.242 1.921 30 10 IDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F 1175873996 SQWMSHJXRMXSLT-LDYMZIIASA-N 426.260 1.293 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1286397876 QSVUOVYFSJPLSA-OAHLLOKOSA-N 447.511 1.971 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286399056 XQYIMKCKMGCBTM-JOCHJYFZSA-N 446.555 1.202 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1N1CCOCC1 1286432832 ZJNZVDSOKRCSBU-UHFFFAOYSA-N 446.555 1.748 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)NC 1286456121 NNMRYFAQDSHEAJ-UHFFFAOYSA-N 431.497 1.007 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCCCO2 1286461413 SGACOFYNMFTYRD-UHFFFAOYSA-N 439.516 1.810 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCCO)CC1 1286473484 MOPOLDKAHNPYSJ-UHFFFAOYSA-N 445.589 1.657 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286504400 MMJNUFTVBPQEQF-IAGOWNOFSA-N 429.550 1.390 30 10 IDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286697055 AEVUOJDRFHDOJP-UHFFFAOYSA-N 427.553 1.231 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2F)CC1 1286786743 YSLIZGGWEXNJLW-HNNXBMFYSA-N 445.474 1.136 30 10 IDEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)cn1 1298840242 GFCPDGLGZVRTGP-HNNXBMFYSA-N 427.490 1.641 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1300497293 YCAYUOYKWOOTMH-QZTJIDSGSA-N 430.530 1.357 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1300509530 OHFUJKQVSUEGCT-HNNXBMFYSA-N 449.964 1.866 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCCN(C)S(=O)(=O)CC 1300575555 YQCJSDMACRAVPX-UHFFFAOYSA-N 428.562 1.783 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(O)cc2)CC1 1300710455 BLZIBTKGWDSXPG-UHFFFAOYSA-N 438.532 1.330 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300863185 KHRJAFZLMODBEU-YEWWUXTCSA-N 440.342 1.627 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1301972179 SGLNINFOOGUUGG-CVEARBPZSA-N 439.511 1.352 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cnc(C)s1 1302096273 YQEXBMYLJAUSHQ-WMLDXEAASA-N 431.566 1.992 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCCn2cnnn2)cc1 1302989814 UBQNXELHAGGMAV-UHFFFAOYSA-N 447.425 1.787 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2)nnc1N1CCS(=O)CC1 1303095407 DJSQBHMZXSDODG-ZPHPHTNESA-N 426.502 1.040 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@H]1C 1315121491 RZGQKLDRQOJCSG-INIZCTEOSA-N 428.493 1.493 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cccc(F)c2F)N(CCC2CS(=O)(=O)C2)C1=O 1320750180 KURNTYJNSAJDMY-CYBMUJFWSA-N 431.486 1.467 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCC1 1359023284 GIOIDAYJFNWPSR-UHFFFAOYSA-N 436.516 1.583 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1359057498 AQDWODZGJIHUIV-UHFFFAOYSA-N 439.593 1.997 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359298894 OVHAOAKVXLZASK-GDBMZVCRSA-N 444.923 1.843 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359310239 QZFNCHHUFVKCCY-KRWDZBQOSA-N 440.529 1.972 30 10 IDEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1360143217 BMOKJOLEJIJEPR-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE CCCN(C[C@@H]1COc2ccccc2O1)C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 1441413849 CSIOHCMWOFDLIM-OAHLLOKOSA-N 430.461 1.772 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1446927096 OOMAVPWUMRMCSR-UHFFFAOYSA-N 440.363 1.585 30 10 IDEE C=CCn1c(SCC(=O)NC[C@@]2(CO)COCCN2)nnc1-c1ccc(Cl)cc1 1454780404 NRFFJTUBBNYKGL-LJQANCHMSA-N 437.953 1.344 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 1465769520 SILLUPJXJKBMEN-ILRDRHFLSA-N 426.494 1.021 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1Cc1ccc(C#N)o1 1496881175 PCLOEIAHLWHGNL-UHFFFAOYSA-N 439.520 1.816 30 10 IDEE CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)o1 1498259644 AYOAUOJRLIKBQA-SJKOYZFVSA-N 425.490 1.237 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1504995177 LXVDFCMPKSRQHN-HKUYNNGSSA-N 444.536 1.816 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCNS(C)(=O)=O)C[C@@H]21 1505108638 YBNAUHYVWDRYFT-FGTMMUONSA-N 430.534 1.227 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1507653203 PDWDHUMTFCAGPB-XMMPIXPASA-N 430.512 1.909 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1507668899 FHBCELVQFCQITD-RTWAWAEBSA-N 440.569 1.901 30 10 IDEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1516669167 OPSHHQKCDUJMOA-DNVCBOLYSA-N 425.530 1.829 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3ccc(C#N)nc3)CC2)cc1OC 1530271077 HGLDSPVNDNGSQO-UHFFFAOYSA-N 444.513 1.482 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1539120397 UPIIKAVEXMBMSA-LJQANCHMSA-N 447.605 1.823 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(N2CCCCC2)c1 1539178874 LGTWTKRHXKIDSJ-GOSISDBHSA-N 428.562 1.683 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1539265988 LEXJEQJEASAKEN-PZJWPPBQSA-N 439.585 1.774 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2)cc1 1539414081 RRJGFGYNVFLLFE-OAQYLSRUSA-N 436.560 1.959 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCOC2=O)CC1 1539476517 ZJWWWVLXZCOZHT-UHFFFAOYSA-N 437.504 1.148 30 10 IDEE COC[C@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CN(C(=O)OC(C)(C)C)CCO1 1539675269 ONVAOXJUPJHDCA-QFIPXVFZSA-N 445.520 1.254 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1540073696 SIKRBCFPPRFWHD-CQSZACIVSA-N 426.568 1.355 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 1540440324 CVDZISVMZQYVAD-HNNXBMFYSA-N 434.539 1.964 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1540871161 FXFLOJLYHFUTLF-LJQANCHMSA-N 440.548 1.557 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1541275914 KIHVXZDANHDCIE-HXUWFJFHSA-N 437.548 1.500 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](n3cccn3)C(F)(F)F)C2=O)cc1 1542561252 COYVPDWGEOPXRQ-HUUCEWRRSA-N 434.378 1.880 30 10 IDEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 1559899438 HWCMKOGCTOGVKY-GOSISDBHSA-N 449.573 1.921 30 10 IDEE C#CCCN(CCOC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1562081654 CFNKLSCNCACEGR-UHFFFAOYSA-N 439.534 1.610 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c1C#N 1567645841 JGRKWTYHYWXMHQ-APWZRJJASA-N 437.422 1.060 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C(COC)COC)CC3)ccc2c1=O 1570317249 LKTWWITVWFHAHL-UHFFFAOYSA-N 432.546 1.290 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCN(C)C 1587615092 QMAPZVOHJCSHOK-INIZCTEOSA-N 433.582 1.274 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(OC)CCOC1 1587632966 QIHXBNITSYYSEK-VGSWGCGISA-N 425.537 1.716 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1588045774 QIKIBRBJNCEQCP-IBGZPJMESA-N 439.541 1.451 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588055504 WQZUARKDOOXLMM-FGTMMUONSA-N 438.594 1.860 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1 1588574555 LUMOMEVHHVYPQQ-UHFFFAOYSA-N 441.536 1.122 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@H](O)C1 1588673005 KJHODBZLLKUWFU-DLBZAZTESA-N 431.562 1.907 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSCC)CC1 1588884580 FWSNGIDZPGKCOT-UHFFFAOYSA-N 432.594 1.623 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1588975643 ILDSORWXELHCMV-INIZCTEOSA-N 441.623 1.576 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1589215983 ILOCVJHOUCLIBA-DNVCBOLYSA-N 441.623 1.745 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1595466691 LQMBEJOYEFBANF-QGZVFWFLSA-N 432.569 1.630 30 10 IDEE C=CCn1c(SCC(=O)N2CCC(=O)NCC23COC3)nnc1-c1ccc(Cl)cc1 1596440099 PBHRVTPUMQCRAJ-UHFFFAOYSA-N 447.948 1.994 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CC=CCO1 1611665410 XIAVYNSBGNHWGF-QAPCUYQASA-N 430.534 1.741 30 10 IDEE C[C@H]1CCCCN1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1611676736 BZJOETRJXZAOBJ-DLBZAZTESA-N 437.614 1.893 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1611765705 RHHWSGJDDRQDEY-FQEVSTJZSA-N 427.534 1.886 30 10 IDEE CC(C)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612895540 PPFQDGWLOBINMK-KWEZKLGQSA-N 430.509 1.312 30 10 IDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OCC)ccc21 1614154429 WVXKGXLBIKMBNG-WGLILOHCSA-N 449.554 1.612 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)NC(C)C 1616922602 GJNQIOODGSZOJZ-UHFFFAOYSA-N 426.525 1.323 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1618242520 DUMXIQZIYPTFHR-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE COCCN(C)CCn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619880781 DLOPEGXJHMHGTA-GOSISDBHSA-N 441.584 1.432 30 10 IDEE C#CC1(O)CCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)CC1 1620450759 DVGCZKKSBBWKSS-UHFFFAOYSA-N 431.537 1.067 30 10 IDEE C[C@H](NC(=O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(=O)N(C)C 1620633157 JHJZQYVCHLVELV-DJLDLDEBSA-N 425.320 1.682 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc(-c3ccccn3)n[nH]2)cc1 1622886808 UILBBRRRUXZWSH-UHFFFAOYSA-N 427.490 1.995 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1624103961 HKLPKEGZFWEEOM-IAGOWNOFSA-N 428.493 1.247 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1627601385 LAGHYURALSNFGH-ZHRRBRCNSA-N 428.489 1.664 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)CC1 1628146361 GUINYFYUNXQRSH-UHFFFAOYSA-N 428.533 1.955 30 10 IDEE C#CCN1CCC(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1638706304 RLYZPABCVIYLAK-SFHVURJKSA-N 433.549 1.781 30 10 IDEE Cc1c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(=O)n(C2CCCCC2)n1C 1641705819 CONZNURPORNBPI-UHFFFAOYSA-N 431.518 1.789 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)s1 1641894404 DRLVBTPRIBJWLN-CYBMUJFWSA-N 434.499 1.096 30 10 IDEE C#CCN(CC(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1642260845 HKWDZQRPXKQGCO-MRXNPFEDSA-N 425.526 1.999 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)C2)c1 1642540530 ULPUQIGOPZKAEC-UHFFFAOYSA-N 435.303 1.905 30 10 IDEE N#Cc1ccc([C@@H](O)CN2CCN(c3ncc(I)cn3)CC2)cc1 1644070170 RNKUCLVSNOEQNK-INIZCTEOSA-N 435.269 1.808 30 10 IDEE C#CCN(C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789665 KMMATLCCXOTWGJ-OALUTQOASA-N 442.516 1.819 30 10 IDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CC1(CC#N)CC1 1661556862 AHHGROYNZDAKSO-INIZCTEOSA-N 442.582 1.896 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)c(C(F)(F)F)c1 1663837124 CFIHQXYVJFWHHX-UHFFFAOYSA-N 437.465 1.766 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2c(Br)cccc2OC)CC1 1668807697 JDAHGXVJXPWUIG-UHFFFAOYSA-N 429.336 1.749 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)cn1 1670257276 LGLVPRDUQBXJEA-UHFFFAOYSA-N 425.470 1.651 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)n1 1671103189 DMYNUZTUEPZUDD-AWEZNQCLSA-N 431.518 1.931 30 10 IDEE C#C[C@@H](NC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 1674026356 XPFDNIYOASYHHV-HZPDHXFCSA-N 429.336 1.969 30 10 IDEE C#CCN(C(=O)NCCCCn1cc(C(N)=O)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1681937834 YVJPJOZGTOMFKM-UHFFFAOYSA-N 447.540 1.202 30 10 IDEE C=CC[C@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1682859572 TYAVSEWNXHBFDL-QGZVFWFLSA-N 426.558 1.861 30 10 IDEE N#C[C@@H]1CN(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CCN1Cc1ccccc1 1684303100 KLCHOJJHVBXADJ-QGZVFWFLSA-N 431.493 1.393 30 10 IDEE N#Cc1csc(CNC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1 1685522143 YAKGBGVORHGTHQ-UHFFFAOYSA-N 427.458 1.509 30 10 IDEE NC(=O)C1CCN(c2ccc(CNC(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2)CC1 1687633065 YLIIJMNCNILGFC-UHFFFAOYSA-N 426.517 1.936 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1689986022 HEACVEAHQRYAOD-KRWDZBQOSA-N 439.545 1.409 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689993188 XKBOSDONUAXQER-IHPCNDPISA-N 445.589 1.952 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1689996028 CNOYKWFASHVZNU-BRWVUGGUSA-N 437.541 1.165 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCc1ccc(S(C)(=O)=O)cc1 1690022408 DMSMSTWAWRIMDA-UHFFFAOYSA-N 433.537 1.983 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1690620303 WWSZOXRCTBCHAI-NYHFZMIOSA-N 440.504 1.773 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1690729518 OTLWNTDJWLELHF-SFHVURJKSA-N 431.518 1.495 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)CN2CCOCC2)CCOC1 1690996280 YVAMBQYSUXLKKY-WOIUINJBSA-N 434.585 1.883 30 10 IDEE CC[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1696519198 JUQFPAPUWISPSP-DRKIFQHWSA-N 443.577 1.882 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCN(C(C)C)CC1 1696990391 CVHNFUPEMXYDFK-UHFFFAOYSA-N 439.564 1.624 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1697758138 WNLILLDSZOLQGM-IAGOWNOFSA-N 431.928 1.831 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705562552 FHXBFNYFCUKAEN-NVXWUHKLSA-N 445.545 1.388 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1705571343 YTVAVPKYXWVWTH-GOSISDBHSA-N 444.557 1.923 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1705572380 ZHVKHAFNMIVELQ-SIRPWMCASA-N 426.514 1.159 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1705648417 VZGYWWKQDQDHHZ-UHFFFAOYSA-N 435.532 1.913 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1705669498 OBPLUZFYOIUBCF-QGZVFWFLSA-N 430.314 1.610 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1705699674 KEPQBFGWAHWSNK-POAQFYNOSA-N 433.553 1.972 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CC1 1705710524 NLWWDSUCZGEUQK-INIZCTEOSA-N 426.587 1.156 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1705782281 SVHJTDYGTARVOS-KRWDZBQOSA-N 441.623 1.563 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705895188 XBPJSYLSXUAIFO-UHFFFAOYSA-N 445.612 1.617 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](OC)C1 1705902428 DZRAEVGDECDNRX-DLBZAZTESA-N 448.568 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705937604 YTEUCYCPMHYZEP-MSOLQXFVSA-N 432.594 1.784 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)n2)cc1C 1707521891 GOAYVJQNSHDGCP-IBGZPJMESA-N 449.519 1.637 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CCN(C)C(C)C)CC2)c1C#N 1707807788 MLNBWGQHNUWLSI-LJQANCHMSA-N 441.584 1.710 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(O)CCS(=O)(=O)CC1 1722352195 GBPNKISBZFEWDP-UHFFFAOYSA-N 441.513 1.609 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1722368111 ZDVKAVPIGTXUQW-GOSISDBHSA-N 446.573 1.929 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1722381103 HSFAJYVMANWDHR-ZWKOTPCHSA-N 440.548 1.949 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1722410840 QSSGVPOAOKKJQS-HXUWFJFHSA-N 436.564 1.296 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1722629067 MFOGMFYEJAJVJZ-UHFFFAOYSA-N 445.568 1.377 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1)C1CC1 1722651609 VXONPMLZGVNQAW-KRWDZBQOSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2oncc2C1 1722689678 WHUONNJCSVWMJH-UHFFFAOYSA-N 446.309 1.899 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722695483 FDBZUIKOWDNHAO-UHFFFAOYSA-N 445.955 1.159 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCCc2ccccc2)C1 1722711299 BXRGLJUBMHLJDJ-FQEVSTJZSA-N 435.532 1.819 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1722713330 AQXQOZVNCVYFJQ-FDDCHVKYSA-N 443.548 1.810 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1726639671 SFCSCPXFFQHCFL-DSGGYQJVSA-N 435.488 1.138 30 10 IDEE CCCNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1728190074 BQZJOHUMMHRJOT-HNNXBMFYSA-N 436.520 1.704 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O 1729396217 AOLBXETUGNEISG-UHFFFAOYSA-N 440.533 1.222 30 10 IDEE COCc1nocc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1730536298 DEIAETCKNJUMJY-CYBMUJFWSA-N 437.526 1.201 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1730691070 NEONVIPVSYZMLI-GOSISDBHSA-N 439.564 1.842 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N(CCC#N)CC3CC3)n2CC2CCCC2)C1 1731012046 APHVPGHPULKBLU-GOSISDBHSA-N 436.582 1.931 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCn2cnnn2)c1 1731180010 DCUSHASGWXVBQW-OAHLLOKOSA-N 433.398 1.661 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOCC2CCOCC2)cc1 1731184790 TWDDGKCEBDQVMG-UHFFFAOYSA-N 438.532 1.976 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1740555335 GOHWEDJWLMHHIN-UNQMGURYSA-N 425.518 1.618 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCCN1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 1740623524 WBGWQSIMSUUJIU-UXHICEINSA-N 449.621 1.409 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1740628977 XWXDKOWMPFSPFO-KRWDZBQOSA-N 430.530 1.902 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740632775 WQTDGUZVXXJTSO-RXVVDRJESA-N 434.562 1.216 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCn1cc(Br)cn1 1740684049 VDDNLVIPLXZZCK-UHFFFAOYSA-N 433.314 1.424 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(C)(C)O 1740684488 SOEBLHLAVYTBQC-UHFFFAOYSA-N 438.532 1.922 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2nncn2-c2ccccc2)n1 1740687364 AUDGBPHASZJHPN-UHFFFAOYSA-N 431.504 1.698 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740721101 WXFOHWNRARAMNR-QFIPXVFZSA-N 437.573 1.845 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1740883826 HKLYEZVCPXRFSU-INIZCTEOSA-N 433.534 1.253 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1740949610 MSVNOGYRGJVVGL-INIZCTEOSA-N 434.541 1.831 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740969894 XJZMGGKOQRKOTA-VQIMIIECSA-N 438.532 1.899 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1741016627 IZKYLHWDHFNOLW-CTNGQTDRSA-N 438.532 1.927 30 10 IDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1741762422 BGKHOQMQLIWTHB-UHFFFAOYSA-N 442.520 1.449 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCCC2)CC1 1748979389 YPYCLBDQMHCBKM-DEOSSOPVSA-N 444.624 1.950 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749032917 UUBYQTBYVOWOIO-QGZVFWFLSA-N 429.594 1.735 30 10 IDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749336512 MYNINKVRIUBTLS-UHFFFAOYSA-N 448.531 1.344 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749354794 ZPRZLJPURXNSEH-HZPDHXFCSA-N 442.520 1.888 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749375769 HUUVSTYVYNEMOZ-IIBYNOLFSA-N 444.467 1.744 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1750056705 HILCEUWLVJIKFV-HXUWFJFHSA-N 436.520 1.820 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1750087991 CHUZGYZERKSMQJ-HOTGVXAUSA-N 442.549 1.756 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CCO1 1750387881 DGTJKFRCVGNZJJ-ROUUACIJSA-N 436.582 1.175 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1750885345 KDGNKAJEHJNBQV-UHFFFAOYSA-N 437.548 1.880 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CCOC(C)(C)C 1752280506 DQDXACHBUUXLAW-SJORKVTESA-N 440.552 1.974 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1760163124 MKQDWVGBQALLIE-HNNXBMFYSA-N 434.541 1.745 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1760194491 JPPSOGZSDIMLJM-OAHLLOKOSA-N 448.618 1.958 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1760245037 OWUQAMVSBRSTIE-KSFYIVLOSA-N 430.505 1.588 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760281159 OXMXYDXWITZLFT-HNNXBMFYSA-N 433.582 1.226 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccs2)C1 1760534581 BRXHCDSKWKMVHL-KBPBESRZSA-N 426.568 1.369 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1763580654 FQBJFPSVHUNCGI-YSIASYRMSA-N 427.505 1.884 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764572982 OVZSVJZEVCQELK-QGZVFWFLSA-N 425.493 1.581 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 1765497091 GUDQBUMAVGNESD-ROUUACIJSA-N 438.580 1.543 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1768931507 FTVKPRJSUQZNIE-SFHVURJKSA-N 439.545 1.974 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C[C@H]1O 1769457388 JGTUBHXREHSCAZ-YQVWRLOYSA-N 441.488 1.125 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCS(C)(=O)=O)CCO1 1769490964 HPXLMKVVIZNOBO-IBGZPJMESA-N 447.561 1.883 30 10 IDEE COCCN(C)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1771079441 BOQFIQYNVOSCJH-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCNS(C)(=O)=O)C[C@H]21 1771309031 KFWRUBSWFPAXDV-IPMKNSEASA-N 444.561 1.475 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1772567080 LCAJWUJRGZQZTC-INIZCTEOSA-N 431.566 1.913 30 10 IDEE CN(C)C=NC(=S)N(C(=O)CN1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 1853217116 ZHSXDCFTJVRVHR-UHFFFAOYSA-N 436.481 1.949 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)n1C 1853407437 MHOJOPGJHYMGFX-UHFFFAOYSA-N 429.496 1.874 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1854590172 MJBMQIQLYMSRFY-UYAOXDASSA-N 431.558 1.889 30 10 IDEE C=CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)C12CCCC2 1856281882 MWIJUDQNRFHNEQ-OAHLLOKOSA-N 428.558 1.939 30 10 IDEE N#Cc1cccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CCCOCC4)ccc32)c1 1857177716 HWCPKRDPNWVNOV-UHFFFAOYSA-N 425.466 1.699 30 10 IDEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 1870143019 RUMFNHKJCVWQTO-LLVKDONJSA-N 430.380 1.491 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1CN1CC(O)C1 1870390902 CYGMNMZDODLORQ-UHFFFAOYSA-N 441.484 1.405 30 10 IDEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1870847311 JKZJPYPJGWZIFY-UHFFFAOYSA-N 449.529 1.872 30 10 IDEE C[C@H]1CC(=NO)[C@H](C)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108229500 UJOFLURNLGZBQP-NQCMUKECSA-N 425.482 1.901 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2251732533 XZAGWFZOAPHJNH-QFIPXVFZSA-N 432.517 1.303 30 10 IDEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255639569 PPUBLQFOBDXYLX-QGZVFWFLSA-N 442.394 1.646 30 10 IDEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255646010 SUZDGZCSOOWWDM-UHFFFAOYSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255665310 DSMMLZLAOMLYGM-LSDHHAIUSA-N 436.314 1.991 30 10 IDEE Cn1nc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255843831 MLGADDUEZIPZDA-CQSZACIVSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256671231 PIMZCGIQKKIUFD-AWEZNQCLSA-N 439.293 1.734 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)O 2256912393 RRYYXDZTBJQEDP-GOSISDBHSA-N 427.310 1.629 30 10 IDEE Cn1nc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2267127116 GUIGBNYGEGOVBC-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267195027 IEHYANXHOHXDBG-KDURUIRLSA-N 436.365 1.923 30 10 IDEE CO[C@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2267225344 VGSATCXTRQZKAF-GJZGRUSLSA-N 448.329 1.140 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 2267575604 HSDSEFJFRHFHEH-KBPBESRZSA-N 447.345 1.196 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 2267603329 APOUJBLGPDUIER-UHFFFAOYSA-N 439.369 1.851 30 10 IDEE C=CC1(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCOCC1 2286036641 ONSPIZGMIGEKRC-KRWDZBQOSA-N 440.518 1.357 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303949384 DCMIOGXMXSQFQT-IBGZPJMESA-N 428.335 1.319 30 10 IDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N2CCC(C(=O)OC)CC2)cc1 2323178203 WPGYVYVHVLJMAU-UHFFFAOYSA-N 430.501 1.928 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2332305915 ZCZZJVMDADZUQZ-GTQRCTGISA-N 449.357 1.807 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 2343640660 MHYBRFPUUHOISC-FPTDNZKUSA-N 446.357 1.991 30 10 IDEE COc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 31295047 FEFCGEWZOXWUKP-INIZCTEOSA-N 428.514 1.900 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@H](CC(=O)N2CCOCC2)CCO3)cc1 169784756 VDXWFDBPNGJVBI-LJQANCHMSA-N 447.557 1.757 30 10 IDEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)[C@H](C)n1cnc(C#N)n1)CC2 409674699 DXZSXMWODRFHGL-AWEZNQCLSA-N 426.477 1.209 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cscc3C#N)CC2)cc1 432055744 UIAXKXPOKDEDNT-UHFFFAOYSA-N 433.511 1.943 30 10 IDEE CN(C)CC1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 441521655 YNZBBGUGDOFGJE-UHFFFAOYSA-N 433.578 1.695 30 10 IDEE CC(=O)N1CCN(c2cccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)c2)CC1 444997881 PXDPTIZZBKQYPP-UHFFFAOYSA-N 433.516 1.976 30 10 IDEE N#Cc1cc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1F 488724919 LRAZHZJIVWKDRQ-UHFFFAOYSA-N 436.896 1.978 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 514475049 IDUZLXOGCJQXIZ-SFHVURJKSA-N 441.553 1.135 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C(F)(F)F)s2)c(=O)n1CC(N)=O 516841014 QQXZZRNHFPYJTC-UHFFFAOYSA-N 441.456 1.348 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)cc1 549964845 QIZREXVZEQQXAZ-QGZVFWFLSA-N 435.465 1.394 30 10 IDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@H]1CCOC1 549982289 GIBVPWCXABRURT-MRXNPFEDSA-N 430.534 1.260 30 10 IDEE Cc1cc(N2CCN(C(=O)CN3CCN([C@@H](C#N)C(C)C)CC3)CC2)nc(C(C)C)n1 609538534 UJBICZIXZNRGQJ-FQEVSTJZSA-N 427.597 1.723 30 10 IDEE Cc1nn(C)c(C)c1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 726315895 PTCVJAPGOZAUHA-KQWNVCNZSA-N 432.506 1.427 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 732465562 HPWMRRXTNQHCOD-CZIZESTLSA-N 429.452 1.256 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccccc1 732795327 BQXOQACSYMQYMZ-UHFFFAOYSA-N 435.553 1.763 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 734293804 NYPXYJDRKJOCCL-CQSZACIVSA-N 439.540 1.586 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739829964 MZKOXPWDJFEDEM-UHFFFAOYSA-N 447.900 1.990 30 10 IDEE Cc1nnc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1C 742245553 OFEDLFOMYSRKHI-HAVVHWLPSA-N 433.538 1.007 30 10 IDEE CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cn1 749856061 AAKUIUQLRXQOQQ-OAHLLOKOSA-N 440.569 1.770 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749856388 HEQUVSBVVRYSKN-MRXNPFEDSA-N 428.558 1.671 30 10 IDEE N#Cc1cccnc1NCCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 755061293 BTGASGROYWFKNU-UHFFFAOYSA-N 442.545 1.790 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 757579848 HAULWKZMDGHZJV-NVXWUHKLSA-N 436.534 1.539 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C#Cc1ccc2c(c1)OCO2 762025501 LGUJCXPLOIUXHA-UHFFFAOYSA-N 429.473 1.305 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 765905141 NHTJETBNBBCSFD-ZVZYQTTQSA-N 433.486 1.169 30 10 IDEE O=C1C[C@H](c2cccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2)CN1 772584290 WQLUSYCCMLSWJW-HNNXBMFYSA-N 426.498 1.748 30 10 IDEE C#CCN(C(=O)NCCCC(=O)N[C@H](C)c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 774249658 JQXJRRHODSPPKV-MJGOQNOKSA-N 449.573 1.875 30 10 IDEE COc1ccc(N2CCN(C[C@@H](O)CN3CCN(c4ncccc4C#N)CC3)CC2)cc1 779214571 BNCJMBBMACFNGO-JOCHJYFZSA-N 436.560 1.267 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1 782859464 XOLOLTGYTSMZAK-KCQAQPDRSA-N 434.518 1.211 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)OCC(=O)NC3(C#N)CCCCC3)CC(=O)N2C(C)(C)C)cn1 796418269 ONUHKRITZGYCBA-APWZRJJASA-N 429.521 1.994 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc2cccnc12 804960858 ZMFXGWDLFWKOGE-AWEZNQCLSA-N 443.344 1.808 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCN3CC(F)(F)F)CC2)o1 812686796 ADOSKLGEIXSUNQ-CQSZACIVSA-N 429.399 1.073 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc1 919848326 RAVQTKVYTCMXJO-SFHVURJKSA-N 440.525 1.792 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)C1=O 1134232936 LMEDDQCSVFLMPP-SPLOXXLWSA-N 434.493 1.259 30 10 IDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1151573891 MQVPOKFJHOZOLH-AWEZNQCLSA-N 446.909 1.317 30 10 IDEE CN1CCN(C2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)CC1 1152060804 MKADGALUAVJPHN-UHFFFAOYSA-N 446.393 1.995 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 1152967282 DQBKBDOHWXDUPA-UHFFFAOYSA-N 436.921 1.539 30 10 IDEE COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Oc1ccc(F)cc1 1153158294 VRNZPXGVNQDTMK-KRWDZBQOSA-N 438.408 1.612 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)c2ccc(OCC(=O)OC)cc2)s1 1154085054 PVDDJEYIGNVXHX-UHFFFAOYSA-N 438.527 1.970 30 10 IDEE N#C[C@]12CN(C(=O)c3n[nH]c(-c4ccccc4)c3Br)C[C@H]1CS(=O)(=O)C2 1157885686 TWDBKEGXUIDQOQ-YVEFUNNKSA-N 435.303 1.850 30 10 IDEE CNS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3sc(C)c(C)c3C#N)CC2)cc1 1175781160 FUNGWMYUIPPPAX-UHFFFAOYSA-N 447.586 1.905 30 10 IDEE CCc1ccc(O[C@H](C)C(=O)N2CCN(Cc3cc(O)n4ncc(C#N)c4n3)CC2)cc1 1190993802 CXNZGROHYPGRSC-MRXNPFEDSA-N 434.500 1.981 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1286297163 VAHXRLXZFQPPLN-HOCLYGCPSA-N 430.513 1.221 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286414282 UUEGCULSTDATDF-WOJBJXKFSA-N 426.565 1.535 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2nccc(C(F)(F)F)n2)CC1 1286485648 SMTDODILUVAGPS-OAHLLOKOSA-N 435.454 1.936 30 10 IDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286510122 JOKRQXXGVWYMEF-KRWDZBQOSA-N 433.509 1.314 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1286620484 MSNKVCLKTLOIGU-ZDUSSCGKSA-N 439.973 1.665 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286712120 ZFEPEDNLHBHGOU-FQEVSTJZSA-N 440.552 1.990 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)OC)CC1 1286783637 XNNJPLPNOVSOFZ-UHFFFAOYSA-N 436.875 1.928 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1 1286787968 NOFZTIWUHGFDRY-MRXNPFEDSA-N 433.534 1.127 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286794008 SFHAAKNVZYAWSV-SOAMZJECSA-N 447.580 1.883 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@H]2CCOC2)cn1 1286970646 PXQHVTQSXJWDIB-IRXDYDNUSA-N 426.525 1.397 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)C1=O 1288133540 DLPJRHHZTDYNEW-HUUCEWRRSA-N 434.493 1.211 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O 1288505760 CLYTUABHAVEPFX-CQSZACIVSA-N 439.563 1.522 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1288999219 KQMFVQZQIIAWSH-MSOLQXFVSA-N 435.488 1.372 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1291194960 HTISERPWWAPATM-XCGNWRKASA-N 440.552 1.492 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN([C@@H]3CCOC3)C2)cc1 1291833289 YAIHMHRLPQGRRI-HBWVRPOVSA-N 434.562 1.939 30 10 IDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1299540990 DMMSCQWVMLFXCY-AEFFLSMTSA-N 446.577 1.959 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1300308355 BJNMFYPFDIAJFJ-ARFHVFGLSA-N 427.596 1.212 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1300380946 KMEBOIXNLIHGMZ-ZBFHGGJFSA-N 435.554 1.452 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496315 PPXYFNXKOSZTFZ-RBUKOAKNSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300497372 YLTFILMHSKQDPM-IRXDYDNUSA-N 448.520 1.605 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1300716545 NRXJSSSRDIFEBR-JOCHJYFZSA-N 436.560 1.167 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1300761673 DNFLCQWTJHYTLK-INIZCTEOSA-N 427.596 1.358 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1300828240 FSQIHRMZQPZROA-UGSOOPFHSA-N 431.470 1.507 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCS(=O)CC1 1301492626 LRYDYGOKDGLNNH-UHFFFAOYSA-N 447.561 1.613 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccccc2C#N)CC1 1301592685 CBNHBASMTBLUBN-UHFFFAOYSA-N 444.561 1.614 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1302361574 CUDZQNQZFDQSLY-HXOBKFHXSA-N 441.532 1.981 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NCc2ccccc2)C1 1302982060 FERFZSZTVHMHGD-JOCHJYFZSA-N 439.495 1.549 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1306557786 WSHYLKMBALJKCJ-IAGYGMIVSA-N 436.532 1.996 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1313955722 HXJDWDIJDVVYRF-WMZHIEFXSA-N 440.571 1.979 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1316275334 YUHULMLOHJJUDB-YDHSSHFGSA-N 438.532 1.988 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1354672847 ABUHYFPTDBVQIR-JOCHJYFZSA-N 447.430 1.743 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CC2(n3cnnn3)CCOCC2)cc1 1355746332 SHTRPEJBPUWCDX-XLNRJJMWSA-N 447.521 1.020 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1358998758 RLPSPWHPBIVJDS-FDDCHVKYSA-N 443.548 1.964 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359030719 CTIHJMXEWXFQEY-JKSUJKDBSA-N 449.353 1.331 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C(C)C)C(C)C)CC1 1359043742 GVSDRTVXLPNGSG-UHFFFAOYSA-N 440.596 1.763 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1359277052 ASOVMESUNYZQFF-SFHVURJKSA-N 442.520 1.306 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1359456037 LFTOKPRHBZNHNU-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1360339332 SJJISNOADAXOQT-ONGXBYRLSA-N 434.516 1.675 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)C1=O 1460602131 FKKBGCUPNPGTQG-ZEQRLZLVSA-N 446.511 1.827 30 10 IDEE N#Cc1ccc(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1461535611 ZJRVVQNPANCZDX-IBGZPJMESA-N 428.470 1.978 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 1464031178 YQHPKRSNUMVZLK-UHFFFAOYSA-N 448.538 1.053 30 10 IDEE C#C[C@H]1CCCN(C(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)C1 1469520698 VMIOWBWOJXJLNT-KRWDZBQOSA-N 445.564 1.972 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1S(=O)(=O)NCC#N 1472370142 APYNPWONDUWPJY-QGZVFWFLSA-N 448.545 1.926 30 10 IDEE CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503365209 GNDKFQLTHIHWNB-GOSISDBHSA-N 438.536 1.591 30 10 IDEE COc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1504093176 BJGICIWPAXBODE-SJORKVTESA-N 431.518 1.274 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1507634637 ZZYJTIHGFHPDDJ-ICSRJNTNSA-N 443.573 1.523 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(C)(C)O)c1 1507703116 QNKTZBDJOLKPHV-UHFFFAOYSA-N 425.533 1.876 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCSC(C)C)CC1 1507721813 TVPIHNJLLHRAEE-UHFFFAOYSA-N 437.577 1.818 30 10 IDEE CC(C)OCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1509875956 KSFLCBGPQJWGNB-QZTJIDSGSA-N 440.552 1.974 30 10 IDEE C[C@H]1CCCCN1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1512169854 HBOOSQZHWUBNIJ-SFHVURJKSA-N 437.548 1.929 30 10 IDEE C[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)C(=O)N1c1cnn(C)c1 1514697559 BUPTXCHXTCLFTR-XHDPSFHLSA-N 432.278 1.743 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 1515801569 NALSNLMFFMMRIR-UHFFFAOYSA-N 429.274 1.395 30 10 IDEE CN1C(=O)NC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CC2)C1=O 1517367692 HUHRJBWMDULQFG-UHFFFAOYSA-N 437.504 1.500 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)C[C@H]1O 1517692709 CQTPTTQHZPPLTE-IEBWSBKVSA-N 425.489 1.889 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C 1517702199 LCIGEAJHHFAHNT-WJONJSRFSA-N 440.504 1.634 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1517709202 HJCNIEKXWCHCIP-OAQYLSRUSA-N 426.477 1.511 30 10 IDEE COCCOCCCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519391851 DPZLRBSKBUNZME-MRXNPFEDSA-N 442.520 1.760 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539147853 DEOMDWKWHNUTFW-ZIAGYGMSSA-N 428.559 1.119 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1539210585 WJRZDWFZDFGQCH-OAHLLOKOSA-N 426.278 1.696 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1539279241 ZHIFQFQNHHPFNC-GOSISDBHSA-N 442.541 1.906 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1 1539392716 VJNYIPNSZBZSQJ-LJQANCHMSA-N 427.480 1.767 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)[C@H]1c1ccnn1C 1540471181 RKVNPAMJZBXYAU-FCEUIQTBSA-N 436.516 1.118 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)cn1 1555568820 DTHXPGLISPRWOS-MRXNPFEDSA-N 434.504 1.375 30 10 IDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(CC(F)(F)F)CC1 1557018138 CHMLKTIXERLCQC-UHFFFAOYSA-N 446.495 1.990 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1561956872 GCUIACNXEHNOEZ-UHFFFAOYSA-N 431.558 1.668 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1565156308 HJEHMPZITZAQGJ-OAHLLOKOSA-N 444.351 1.503 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1587766096 OBTBMKQKJKCTDU-WMZOPIPTSA-N 432.550 1.295 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC1CC1 1587978790 AOGYPTYZANIUPN-UHFFFAOYSA-N 426.502 1.488 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588049141 ASHYMKUBDKJVNV-SFHVURJKSA-N 434.566 1.511 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN(CC(F)F)C1 1588296927 UZSIHEARYPWWAO-HOCLYGCPSA-N 442.532 1.843 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCc3nccn3C2)CC1 1588750749 FEXIQNSRWWIZJF-OALUTQOASA-N 427.553 1.216 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(F)c2)CC1 1588865207 QMASHEJPQZTUEY-UHFFFAOYSA-N 440.523 1.546 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1588976407 XEMOGWULGIRQCV-MSOLQXFVSA-N 435.594 1.947 30 10 IDEE C#CCSCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1589125385 KAESYBUJKBWQGV-WIYYLYMNSA-N 446.577 1.608 30 10 IDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNS(C)(=O)=O)CC1 1594430016 GLOUXIVFQGOYFD-UHFFFAOYSA-N 438.579 1.221 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1594455151 MSQSPAFSOWUFBJ-AWEZNQCLSA-N 426.587 1.453 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1595838128 LSOPWBCYCDCXPE-UHFFFAOYSA-N 434.610 1.734 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2CN(S(=O)(=O)N(C)C)C2)s1 1595920228 WDWNIYGMLGQJQO-UHFFFAOYSA-N 425.001 1.445 30 10 IDEE CCOCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1617110128 UHBYYBAZNFHXCX-QZTJIDSGSA-N 440.552 1.975 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1617696973 HROCOUZXBVBEGW-NHCUHLMSSA-N 440.548 1.779 30 10 IDEE CNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1618672153 NDRWTJNQJYCWLJ-UZYVYHOESA-N 441.536 1.425 30 10 IDEE COC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CCC1 1619045516 BOAYHSVIISNCIR-JKSUJKDBSA-N 440.570 1.309 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C1CCN(C)CC1 1626637786 VCQNWIOVIMVIGZ-UHFFFAOYSA-N 439.528 1.922 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 1631845119 LPGZZUOYHBJFLR-IAGOWNOFSA-N 437.537 1.553 30 10 IDEE COC(=O)c1nc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1Cl 1632471158 NGJJGJFQDCXGGE-UHFFFAOYSA-N 425.825 1.888 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCN3C(=O)COC)c1 1638214947 CTUSGNTWVWKXMX-UHFFFAOYSA-N 427.482 1.386 30 10 IDEE C=CCOC[C@@H](NC(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC 1639559042 SKVUCGVMBXDBRS-QRWLVFNGSA-N 425.482 1.393 30 10 IDEE Cn1c(N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)c(C#N)c(=O)n(C)c1=O 1639997725 AOVYRHFWBNJVQH-UHFFFAOYSA-N 442.951 1.400 30 10 IDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1640214470 FSOXIBBWWPCEEL-UHFFFAOYSA-N 442.516 1.833 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCN(C(=O)OC(C)(C)C)C2)C1 1640564578 BJYJNGXIUNGHLC-HNNXBMFYSA-N 448.545 1.694 30 10 IDEE CCOC(=O)[C@@]1(F)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC12CCC2 1641276071 AUMXEOSMCKTLLJ-FQEVSTJZSA-N 437.493 1.776 30 10 IDEE C[C@@H](CC(=O)N1CCc2c(cccc2C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1642230482 JBCOYLGYVFIWBV-ZDUSSCGKSA-N 426.498 1.188 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(c3cc(C#N)nc(C4CC4)n3)C2)CC1 1642364618 CWMLQTSGJDOQFM-UHFFFAOYSA-N 448.549 1.297 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1644471603 CQNPODGFIQOQIQ-CWRNSKLLSA-N 434.518 1.241 30 10 IDEE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1644959494 PJQODCQJRXPIDG-OFNKIYASSA-N 438.553 1.817 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C)c2I)cc1 1646429728 PJLXUZUXNSYIJZ-UHFFFAOYSA-N 444.254 1.189 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C2 1648293868 ZETMGVYYMKKVMQ-PBHICJAKSA-N 426.498 1.859 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 1653332126 CJHWGHRXCFRVMK-MOPGFXCFSA-N 433.350 1.815 30 10 IDEE CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1682209843 VKOIRPCFOBCJKW-UWJYYQICSA-N 448.545 1.791 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 1682748878 OQKFNEVXQWPHON-INIZCTEOSA-N 431.928 1.996 30 10 IDEE CN(C)S(=O)(=O)CCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1682841379 UPYXRWFCTVMJHE-YUMQZZPRSA-N 447.348 1.690 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1689867327 ROCOYJWMGMHOSS-OAGGEKHMSA-N 439.582 1.941 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCNS(=O)(=O)Cc1ccon1 1689949737 PVILJCXIKMLLPA-UHFFFAOYSA-N 430.490 1.131 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)(C)C 1689965672 AQJYMPJZMSJSFN-MRXNPFEDSA-N 448.568 1.818 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1690032407 ARWHBOHGJMOUFH-GOSISDBHSA-N 431.537 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1690053458 BKWUBRJFTCCGDB-QGZVFWFLSA-N 427.530 1.538 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1690091099 JEDJTLTZPHPDNH-IBGZPJMESA-N 441.507 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)C(C)(C)C)CC1 1690136651 HYYABKNECSRGDD-INIZCTEOSA-N 437.610 1.971 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)C1 1690697332 STOVEKSUTGGFNP-ZWKOTPCHSA-N 430.553 1.850 30 10 IDEE CC1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692862100 YAXGZFNYWORRBS-FBMGVBCBSA-N 427.509 1.419 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705559615 DHDMCOKVEHILEI-HOTGVXAUSA-N 439.582 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)CC 1705593638 GXYMOWBIRYEIFA-UHFFFAOYSA-N 443.529 1.119 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CC1 1705638918 BEVMCIHAPOBVNZ-SFHVURJKSA-N 435.594 1.285 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCS(C)(=O)=O)CC1 1705643213 WPFVQCMTYMDQAD-UHFFFAOYSA-N 435.525 1.186 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1705693558 HYLWSWXDTBDYGT-FUHWJXTLSA-N 447.584 1.639 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 1705834429 KPZJIBUUEUODGA-DLBZAZTESA-N 432.594 1.957 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)Cc1ccccc1 1705843426 FCIWAHXLNFYFLT-KRWDZBQOSA-N 438.575 1.417 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](C2CCOCC2)C1 1705932091 KUNLJNONUMEQND-KRWDZBQOSA-N 432.550 1.589 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1708219587 DIGZMODSXORDKD-BZROSYFNSA-N 437.504 1.406 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@@H]1CC 1710838768 NCCBZJIFSANMFT-FQEVSTJZSA-N 449.563 1.931 30 10 IDEE CN(C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1711015012 LTCOBVGXOBKKCU-OAQYLSRUSA-N 426.525 1.634 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C1 1711339065 AJXAZCROZMXTLG-SFHVURJKSA-N 435.532 1.838 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC2(O)CCOCC2)CCO1 1712885870 AZZZKLPDSAGUGX-SFHVURJKSA-N 431.468 1.657 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1722365784 FJZWHQNHNHDYER-BBTUJRGHSA-N 436.578 1.962 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1 1722466666 CCFZILZHPRSXFG-NYZZKBNTSA-N 427.596 1.182 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722696710 DERRYQFKXFUNBQ-GJZGRUSLSA-N 444.561 1.986 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722727009 DNYXZMRHFSVXDQ-XHSDSOJGSA-N 430.596 1.263 30 10 IDEE CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1723650554 DWKXZWLHZRBUGG-UHFFFAOYSA-N 435.532 1.966 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1728697850 KVTBRTPLETZVKD-LJQANCHMSA-N 440.504 1.901 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1729692114 FONNOHPYDSGBHB-WAIKUNEKSA-N 438.532 1.709 30 10 IDEE COCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1730577597 YYSHZGLBNSVBSG-GRNWLOBZSA-N 444.536 1.909 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCN2CCOC2=O)c1 1731178631 DDRBXFBMTRAZBZ-QGZVFWFLSA-N 437.504 1.751 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1740552918 YLMSDPNYEIYQRZ-IRXDYDNUSA-N 435.532 1.371 30 10 IDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1740589338 VVVRCQCUIUFFHQ-SFHVURJKSA-N 449.515 1.040 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)COC)CC1 1740593659 LUVOMUHMPFFXAS-UHFFFAOYSA-N 435.532 1.661 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CCN(C)C)CC1 1740608378 DUCWZJQNUJRJQA-UHFFFAOYSA-N 427.553 1.349 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(-n2cncn2)c1)[C@@H]1CCS(=O)(=O)C1 1740616625 DHRKIJZQSVBZNI-LJQANCHMSA-N 439.545 1.657 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1740626670 YGPAVBCCLAAMIB-SFHVURJKSA-N 444.557 1.441 30 10 IDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740639579 WYRGHCLNSKITOU-QGZVFWFLSA-N 436.541 1.781 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740791486 IOUZXAZQGZIXOQ-UHFFFAOYSA-N 428.541 1.609 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1740793255 QDNXPIPAKDWIKI-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCSC1 1740953602 LSBDLRDSNDLKJP-HNNXBMFYSA-N 435.575 1.593 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC=C)Cc1ccccc1F 1740960164 MEVKSZGXXNUJGZ-KRWDZBQOSA-N 447.536 1.814 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740962739 MXJSURUPOOPUCO-SFHVURJKSA-N 431.562 1.379 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C)C(=O)[C@H]1C 1740965084 ZCIZOAPQXLUCOS-MRXNPFEDSA-N 426.521 1.389 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1740994982 ZGPOGZYXXSYEDI-GBESFXJTSA-N 437.610 1.726 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC[C@@H]1CCCO1 1742835096 CEKMJQRVNWXMPX-AEFFLSMTSA-N 426.525 1.549 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748819766 TVUKPQDTQYQQIK-MOPGFXCFSA-N 427.530 1.236 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748860431 YXJPQWVUUFZIOS-LJQANCHMSA-N 441.557 1.662 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1748892557 RAHJEDWFRAJPGA-RTBURBONSA-N 447.605 1.900 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(c1)COC2 1748929428 JEQIPRIHEYMGAZ-IBGZPJMESA-N 445.545 1.149 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)NC(C)C)CC1 1748984827 SMRFVPMEZIFJNL-UHFFFAOYSA-N 440.548 1.632 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749031810 JUEZTAJOCGETTH-IEBWSBKVSA-N 429.594 1.592 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1749599714 JEYYMNPQVGFRMY-LJQANCHMSA-N 443.504 1.288 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)c1ccccc1 1750005662 CQABKBAGXLSPBW-SJORKVTESA-N 449.533 1.205 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(OC)c1 1750006922 JKMPTQVQZMBUCL-DOTOQJQBSA-N 431.493 1.796 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1750101880 XNBRMXULXNIPCJ-UHFFFAOYSA-N 433.534 1.493 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760132077 CJUIJVYSWRQXSU-QFIPXVFZSA-N 441.557 1.869 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1760216344 KBNLQOYBDUNKAT-UHFFFAOYSA-N 439.589 1.797 30 10 IDEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760428725 DXCZSRGXSRKVQC-UHFFFAOYSA-N 437.548 1.547 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1760498994 LHRNLENZDFUESV-SFHVURJKSA-N 431.562 1.551 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1 1760689682 BLNBTMXDEQPLFJ-OAHLLOKOSA-N 442.549 1.706 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cc1C 1761828407 HFCDFAXOIGBVSC-QFIPXVFZSA-N 442.495 1.775 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765389000 SCYSUGCITZWZFC-XOMICKMZSA-N 441.536 1.567 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769393273 TYODUTXDWSYOQI-DXQAYGFFSA-N 428.493 1.461 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@@H]1O 1770627853 SSVSVULAEYFDNR-GTCCEBARSA-N 427.505 1.741 30 10 IDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1771023444 BHJLRAYQXZKHQO-UHFFFAOYSA-N 432.550 1.761 30 10 IDEE COCCOCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1771266622 NGFJQZCZBDRTFM-KRWDZBQOSA-N 429.477 1.846 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOCC(F)F)CCO1 1771536931 FAPCXSDFCLEZIV-ZDUSSCGKSA-N 445.430 1.994 30 10 IDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCN(C)C1=O 1848892282 GALGIPGFGARQHK-WFASDCNBSA-N 433.452 1.618 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1848935637 JSELVQOAHXPFDZ-LJQANCHMSA-N 443.529 1.665 30 10 IDEE COc1ccc(N(C(=O)c2nccc(N3CCOCC3)n2)C(=S)N=CN(C)C)cc1 1851202508 UOYRJRDKHUIPTA-UHFFFAOYSA-N 428.518 1.843 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3c(F)cccc3Cl)C(=O)O2)CC1 1856660469 MRPZSYROUNCKQJ-MRXNPFEDSA-N 443.884 1.934 30 10 IDEE COCCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651225 KBYLQUXPAJNQIL-UHFFFAOYSA-N 430.486 1.513 30 10 IDEE COCCN(CCOC)C(=O)[C@H](C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868783505 SCEFDOVDMZATNR-WMZOPIPTSA-N 436.578 1.651 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O 1870098123 NXOWRMANOFOMBC-UHFFFAOYSA-N 442.844 1.819 30 10 IDEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)o2)cc1 1871288318 IGFWOYUDAASTRF-UHFFFAOYSA-N 432.483 1.648 30 10 IDEE CN(C(=O)Cc1ccc(Br)cc1[N+](=O)[O-])C1CN(c2nccnc2C#N)C1 1891740341 RJXOVQGUFAEZFK-UHFFFAOYSA-N 431.250 1.909 30 10 IDEE C[C@H](C#CC(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1)NC(=O)OC(C)(C)C 1902015392 YPHSNQMJDDBMNB-FXUDXRNXSA-N 425.526 1.683 30 10 IDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124538599 LHTJMFQHOHTUHE-HNNXBMFYSA-N 449.361 1.559 30 10 IDEE C#CCn1ncc(N[C@@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(Br)c1=O 2178148779 WJHQKQSBQCTDML-MRVWCRGKSA-N 439.310 1.685 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247908206 PEWXLRAOMASACP-STQMWFEESA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2247920774 CUADPOXCFKWBSW-LJQANCHMSA-N 441.359 1.448 30 10 IDEE C#CCN(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2247952850 QIGMRDKHYBLMRU-UHFFFAOYSA-N 429.351 1.852 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405959 XQBPOYHQINHAAC-NWDGAFQWSA-N 439.343 1.751 30 10 IDEE CC1(C)OB(c2csnc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255532389 LTYMOWJQUAAJQH-QFIPXVFZSA-N 443.378 1.809 30 10 IDEE C[C@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255624288 XQHCLNSFGKAMDO-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632953 USMBIGGTSPARRG-JSGCOSHPSA-N 436.318 1.121 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2255653869 OZSSCYBMZYBYQQ-YEJXKQKISA-N 432.330 1.459 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255654182 SVDWRMCSNBXXAQ-KBPBESRZSA-N 434.346 1.610 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2255658073 YJHKZHYEAPDWTJ-GJZGRUSLSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255782168 AHSMFGMBZBBCIF-CQSZACIVSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 2256617399 JKXKQXQUSSHTHU-QGZVFWFLSA-N 432.326 1.761 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCC#CBr)S(=O)(=O)C(C)(C)C1 2258960234 CMRPXFWJNTZNPX-GFCCVEGCSA-N 437.356 1.661 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2267138330 UFDRELQHTGKKDI-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2COC[C@H]21 2267139709 KAHYIKBRKFFHCK-LSDHHAIUSA-N 448.329 1.169 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267521644 SWCLFPJTGVHGOB-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2267603994 CFYXVQIFCLCCAW-GOSISDBHSA-N 439.369 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2268635134 NYFCYMVPLFOLBS-INIZCTEOSA-N 445.325 1.660 30 10 IDEE C=CCO[C@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270539023 ABRFRNRRXIXKAT-IRXDYDNUSA-N 426.491 1.061 30 10 IDEE N#Cc1ccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2286029765 RKKHUJRYUCGPKV-QGZVFWFLSA-N 435.433 1.496 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCc3ncn(C)n3)C(=O)[C@@]12C 2297591108 AZFPNDZDKGERPK-QFIPXVFZSA-N 438.440 1.487 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)COC1 2300340554 BNEJYFJVZMVUBX-UHFFFAOYSA-N 439.343 1.466 30 10 IDEE CC1(C)OB(c2sncc2C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)OC1(C)C 2315694060 ULTTVTBGCFAQEV-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2317677461 VQTLXVHVOSBTLI-MRXNPFEDSA-N 435.330 1.650 30 10 IDEE CN(C)c1ncc(C=NN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)cn1 2328801196 YPXMHHHKPIRGBL-SFHVURJKSA-N 431.500 1.889 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccc(Br)cc2)CC1 301415623 QSDXEXRKBGKDMO-UHFFFAOYSA-N 449.330 1.931 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 431221172 CXLDQCXNRPAYHZ-NRFANRHFSA-N 430.482 1.935 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440379271 HMVUASDQAVSILW-QGZVFWFLSA-N 438.509 1.115 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)C1=O 446634057 BXNRQDKLWKEBLB-LJQANCHMSA-N 448.479 1.537 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3cnn4cc(Br)cnc34)CC2)c1C#N 472300178 RILVSSUMRMDEPD-UHFFFAOYSA-N 429.282 1.368 30 10 IDEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473442643 QRMKGOZUVHYGMA-WBVHZDCISA-N 433.873 1.917 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 478755983 ORYTXPMXOURVLE-MRXNPFEDSA-N 439.493 1.811 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3CCN(c4ccccc4)CC3)CC2)c1C#N 484148460 ZCYJUYPHFJJQAY-UHFFFAOYSA-N 449.559 1.282 30 10 IDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488258471 DSIPHOPDIGVVJK-RTWAWAEBSA-N 433.512 1.658 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(O)(CN2CCOCC2)CC1 501113364 CFCJOGYQCWDAMX-LJQANCHMSA-N 430.549 1.489 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cnc(N(C)C)nc3)nnc12 503599133 GCKRERKPVLPVLV-UHFFFAOYSA-N 436.501 1.817 30 10 IDEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)C1 503624238 BDRFJGRCVUUBDN-IRXDYDNUSA-N 432.546 1.551 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)c(C)c1 508827180 QIFGLYPWPYUDQE-GOSISDBHSA-N 435.550 1.750 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)CC2)n1 546169610 CTFSSJZKGFSWPG-UHFFFAOYSA-N 439.541 1.146 30 10 IDEE COc1ccnc(N2CCN(CC#CCN3CCN(c4cc(OC)ccn4)CC3)CC2)c1 551386810 DTVVVHIGKSOLGM-UHFFFAOYSA-N 436.560 1.441 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)OCCOCCC)cc21 586357410 JYOLPBHJTHIMPD-JGVYIQDASA-N 437.514 1.888 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 592728771 ZISPLVOOHVMABM-UHFFFAOYSA-N 432.322 1.695 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2c(C)nn(C)c2C)C1=O 726401383 PBKQKPKWXPFMSP-KRWDZBQOSA-N 442.545 1.446 30 10 IDEE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732152774 AOOCSMOIGUMCTD-WSACUHGTSA-N 442.560 1.986 30 10 IDEE CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1C 737197602 GNXSIJDRVKFGGE-MRXNPFEDSA-N 433.534 1.284 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 759913514 BCJUYHPMHOSCCM-HBWVRPOVSA-N 449.577 1.828 30 10 IDEE COc1cc(OC)cc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)c1 760401338 UBCZTVUHCBCLMG-OAHLLOKOSA-N 449.529 1.977 30 10 IDEE Cn1nc(Br)cc1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 782695612 FGPUFFRUAVWCGP-UHFFFAOYSA-N 437.282 1.293 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)nc1C 790518748 UDDPJCIUPCREIW-SFHVURJKSA-N 432.531 1.736 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)C1 806782347 XWOHBFQZOYMNDM-ZDZITJCTSA-N 447.536 1.945 30 10 IDEE Cc1cc(C)cc(OCc2nnc(S)n2N=Cc2nccn2S(=O)(=O)N(C)C)c1 814780721 GWQSWQXEZHCSDW-UHFFFAOYSA-N 435.535 1.496 30 10 IDEE COCCOc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(CC(C)C)c1=O)OCO2 920773291 MNVGRGNVFSLOSR-UHFFFAOYSA-N 427.482 1.346 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)n1 1128569485 ARYSBDNGCXDUFH-OAQYLSRUSA-N 440.500 1.529 30 10 IDEE CCOC(=O)[C@H]1Cc2cccc(F)c2N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1130585256 KOOBWCCOSCLTQP-AWEZNQCLSA-N 445.472 1.633 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c1 1152326914 CDLMGADXQQDUQH-FQEVSTJZSA-N 425.510 1.800 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1152871657 YBZCAYAUSUVMNT-UHFFFAOYSA-N 429.498 1.958 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1171785168 AKUCERKHVLQYPC-UHFFFAOYSA-N 426.542 1.649 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)c1 1180287484 XEBQDKPLTGUGCC-CYBMUJFWSA-N 437.909 1.309 30 10 IDEE CC(C)(CCS(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)S(C)(=O)=O 1191951909 GLBAVMSPAPQXAN-UHFFFAOYSA-N 427.592 1.655 30 10 IDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)CC1 1192715234 LYWLTGMEEHOXQO-UHFFFAOYSA-N 433.280 1.823 30 10 IDEE CCS(=O)(=O)N1CCC(CNC(=O)Nc2ccc(Br)c(C#N)n2)CC1 1219696659 GQGPIXIUHLFRNN-UHFFFAOYSA-N 430.328 1.899 30 10 IDEE CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1227016679 GRJFESJYDOQELA-CNNODRBYSA-N 430.574 1.867 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1270241908 CQRRBFATUIIXDA-DLBZAZTESA-N 432.502 1.189 30 10 IDEE N#Cc1c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)ncc2c1COCC2 1276480864 FVHOZINHIGDOKZ-UHFFFAOYSA-N 443.481 1.990 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1286336889 ZBCFPXCZYVHSOM-UHFFFAOYSA-N 443.596 1.401 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1286409621 OBFVNYLHIVFCOO-LJQANCHMSA-N 439.541 1.051 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1286467386 PCYWZVALNVAKPC-SFHVURJKSA-N 436.578 1.473 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1286476764 FOKJHHQWIZOUSZ-GOSISDBHSA-N 447.534 1.395 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCCC[C@@H]2C)CC1 1286483201 BKCLWOKLERDNMN-NRFANRHFSA-N 441.624 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2COCCO2)CC1 1286489135 HETSCMKAZFABQZ-KRWDZBQOSA-N 443.935 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnnn2C)CC1 1286490020 JSYMFSTYKJTAIQ-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286504506 MVRBPDFHPHQYCF-INIZCTEOSA-N 434.566 1.510 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOCC)CC1 1286625698 JNPQQJGNXBZHAJ-UHFFFAOYSA-N 443.943 1.832 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(CC)CCS(C)(=O)=O 1286781952 FXTTYIKEWABYJV-UHFFFAOYSA-N 431.518 1.864 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1ccccc1 1286788187 RTBZJDTUSOPHQA-FUHWJXTLSA-N 431.562 1.722 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1286822459 DSIWUPIXDASREY-OAHLLOKOSA-N 435.481 1.326 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1287130599 INXXKURYACXHSY-LJQANCHMSA-N 437.504 1.620 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2CCCNS(C)(=O)=O)cc1C 1289721697 OYCYQSORURIOJM-INIZCTEOSA-N 447.565 1.825 30 10 IDEE Cn1cc(N2CC[C@H](NC(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)cn1 1293766108 FIOCCVIFFIXWLB-IZCOPSDLSA-N 428.537 1.902 30 10 IDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCOC1 1296535256 DQHICRGYGBGIKE-XZOQPEGZSA-N 440.548 1.505 30 10 IDEE CCOC1CC(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)(N2CCOCC2)C1 1296917315 AHWZEPWARAHXDU-LYGNXSNRSA-N 447.584 1.282 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1298098766 GQQLESNVVVKZQJ-INIZCTEOSA-N 430.509 1.494 30 10 IDEE CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CCN2C1=O 1298876304 FWBAPYPMMKPTAD-MRXNPFEDSA-N 431.447 1.654 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1300497054 XDFXNYQAGHHAQF-MOPGFXCFSA-N 433.578 1.061 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1300501391 LKEFUTTYFDPGBD-ZWKOTPCHSA-N 447.586 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[S@](=O)C(C)(C)C 1300545417 OZXRXUDOSWXYEG-LJAQVGFWSA-N 431.587 1.890 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)N1CCOCC1 1300590916 IPZSUSGHDIPRGR-FQEVSTJZSA-N 426.565 1.220 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1N1CCOCC1 1301272242 DPHSQJUVJMHDMO-QGZVFWFLSA-N 448.593 1.704 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301577454 JRBLZSBKRCWIKR-HOTGVXAUSA-N 436.465 1.799 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1301607506 NEKNOFPSEXLPHE-UHFFFAOYSA-N 441.536 1.673 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCc3ccc(S(=O)(=O)NC)cc3)cc2C1=O 1302528479 VLAFUCQGMUHSGV-UHFFFAOYSA-N 427.482 1.349 30 10 IDEE C[C@](O)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl 1303886495 DBCVATGQOVPVNO-RISOHXOYSA-N 430.896 1.519 30 10 IDEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1303913365 BGCVTQHVJHEVNG-XERREHJYSA-N 446.939 1.867 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1303974321 ICNANIUFRXTWFO-DXQAYGFFSA-N 430.509 1.314 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1305631502 IOZNFPHUWGGILY-QMHKHESXSA-N 435.532 1.980 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)c1 1309505428 FJXHZXGBEPVDTC-MUUNZHRXSA-N 442.559 1.067 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 1309711901 IJXIQANUIXFOQS-UHFFFAOYSA-N 446.504 1.351 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1313038927 OMMCSQPCWIWIGO-XKGFGPFHSA-N 430.530 1.307 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1315560676 DCOMVCUFUCUXAB-OALUTQOASA-N 440.504 1.687 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c1 1315561344 FENPMPGRLABAEM-PBHICJAKSA-N 425.493 1.406 30 10 IDEE Cn1c(SCCS(=O)(=O)c2cccc(C#N)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1319676440 UNTXKMBALLGXQO-CYBMUJFWSA-N 426.545 1.155 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1342263340 OYDBFLCZXQQVSG-WMLDXEAASA-N 428.938 1.677 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncccc1N(C)C 1358880690 QUJULMDCYSTUGA-INIZCTEOSA-N 428.504 1.888 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1359024058 DNYGIQLGSGDGRY-ZWKOTPCHSA-N 437.610 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2cccc(OC)c2)CC1 1359035391 SCHZUNVVYDAYRP-HXUWFJFHSA-N 438.532 1.462 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1359076803 MTHWLWWOJBDTPA-ZIAGYGMSSA-N 447.403 1.471 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COC(C)C)C1 1359303873 DEFBSLVBZYOOJV-GOSISDBHSA-N 431.541 1.072 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)[C@H]1CC 1359334237 XVHXMGNBKRZXMR-QGZVFWFLSA-N 447.561 1.193 30 10 IDEE C[C@]1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1360834692 IRNJHFNMVMQHMI-VQTJNVASSA-N 449.508 1.596 30 10 IDEE C#CCN(CC(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1445465159 OYRMRBDZLCATPX-HOTGVXAUSA-N 425.526 1.997 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1448353092 UIVSWRBAGVIKAU-AOMKIAJQSA-N 449.507 1.660 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1449511991 XARAIUDVTBBGEY-SFHVURJKSA-N 425.489 1.880 30 10 IDEE CC(C)(C)c1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n(-c2ccccc2)n1 1460833836 OFECJQLQZMPAGS-AOMKIAJQSA-N 441.557 1.978 30 10 IDEE Cc1cc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc(C)c1C#N 1464937921 QIUFOBJGMBWGDF-UHFFFAOYSA-N 428.294 1.830 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 1465666515 ZOPNCAFJSMGGCH-GJZGRUSLSA-N 437.990 1.600 30 10 IDEE C=C[C@H](CO)NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1 1470410476 ITWBRDYCOMYFLL-WBVHZDCISA-N 430.530 1.776 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)cc1 1472273609 KKJOCQUCEJXIQB-LFDOHDQPSA-N 436.555 1.545 30 10 IDEE O=C(c1cc(N2CCNC2=O)ccc1F)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618919 ONSSGWKYBDGUSS-UHFFFAOYSA-N 426.404 1.873 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1475439774 XBJJMGZSVLMLBF-ZDUSSCGKSA-N 433.452 1.682 30 10 IDEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1499942522 CCILHTHHSDTOIV-JBYIUTFZSA-N 427.505 1.728 30 10 IDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1500625375 BKDICXVRSVJDIS-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1502545380 XTTOLJZKNCFNKU-QZTJIDSGSA-N 427.505 1.992 30 10 IDEE CN(C)C(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1503365724 MAKZKDOTEZFPPC-CYBMUJFWSA-N 436.314 1.253 30 10 IDEE CN(C)CCOCCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503402749 GWEQXASTAGVGRJ-UHFFFAOYSA-N 436.520 1.397 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1503669549 BAYDUPINZZNWFP-HOTGVXAUSA-N 435.479 1.368 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 1507573311 GJICYVRJJIQKFK-IIBYNOLFSA-N 429.546 1.938 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCS(=O)(=O)CC1 1507688281 YTSZUZAVBHEUFC-UHFFFAOYSA-N 440.529 1.878 30 10 IDEE C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507779624 DLCFHOGHKMKVPT-LBPRGKRZSA-N 441.717 1.853 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NCC)CC1 1507791566 NFDLPUSSYTXOBB-IRXDYDNUSA-N 433.557 1.249 30 10 IDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1507831943 IPSMDOYZQMKRHC-MOPGFXCFSA-N 434.585 1.411 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS(=O)(=O)C1 1508018369 CZNDATIASKSXSN-HZPDHXFCSA-N 428.580 1.183 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N1CCOCC1 1508037135 FYGDSMDTVXBFME-UHFFFAOYSA-N 436.516 1.991 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCCCO1 1508085893 IKCIEFQVQKECPJ-HNNXBMFYSA-N 437.504 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508087942 QYWSVFGHCQEDDJ-HNNXBMFYSA-N 435.488 1.569 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](OC)C1 1508099416 WSBIKAXBEAMUAF-HOTGVXAUSA-N 434.541 1.877 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@@H]2C)C1 1508111455 YIXFTVFWJYXOBG-ROUUACIJSA-N 441.536 1.427 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C 1517701453 GVPVUAATODIGBN-AWEZNQCLSA-N 435.492 1.763 30 10 IDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1518637822 FJFNCJPETPFKDY-TZIWHRDSSA-N 438.532 1.973 30 10 IDEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1nccs1 1524723563 AJLQUOWBUHWFKN-UHFFFAOYSA-N 431.543 1.879 30 10 IDEE C[C@H](C(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1)n1cnc(C#N)n1 1538035085 BLADAEASMFGUOH-NXHRZFHOSA-N 443.552 1.785 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1539260324 OLPOBADXBUCNNN-SJORKVTESA-N 428.537 1.851 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCSC)CC1 1539476673 CVPGGDSSOJNBJV-KRWDZBQOSA-N 432.594 1.728 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)C(=O)NC)CC1 1539484555 TZAWJDREEZOCPH-UHFFFAOYSA-N 437.548 1.002 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1539632210 QCXCIOULVBUDON-JZXOWHBKSA-N 439.582 1.122 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@@H]1C)C1CC1 1540109034 NUIQNVCIKOAVSC-BQFCYCMXSA-N 439.582 1.438 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1540874760 RFBJSOWYYMFRGQ-KRWDZBQOSA-N 426.521 1.478 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 1540896686 RJHKFHXGTUFVFC-INIZCTEOSA-N 430.900 1.864 30 10 IDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542724788 FNUFDGLDAPWJJD-QQMHEVNUSA-N 433.472 1.509 30 10 IDEE COCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555526831 GXZQNXDOGYQZIV-MRXNPFEDSA-N 425.541 1.110 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1(c2ccc(C#N)cc2)CC1 1557176566 FZYCQHUEFBPXTO-UHFFFAOYSA-N 428.470 1.935 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)N1CCO[C@](C)(C#N)C1)OC2=O 1565378343 MJYRCINQRYZLDH-FOIQADDNSA-N 436.509 1.643 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1588181631 YQOZZQKWNLOZTC-QGZVFWFLSA-N 441.557 1.472 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1C 1588280212 JBHFNAPZYDPPHP-UHFFFAOYSA-N 441.561 1.745 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1588575169 ZJLXUVIRSIOGGF-VGOFRKELSA-N 431.512 1.710 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1588612434 GIKVERHAXSGEFH-OAQYLSRUSA-N 432.546 1.916 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588871517 GFFZXZCCWANORE-JTSKRJEESA-N 429.496 1.291 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)CC1 1588899160 LNNGGYXQXRMTGL-FQEVSTJZSA-N 436.516 1.444 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1589495412 QTOKSNCRVPDWQJ-RLLQIKCJSA-N 434.585 1.231 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1595529790 IBVCDUWBPKEHQL-UHFFFAOYSA-N 427.900 1.729 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595778056 VDCXCZILAIBYDC-QGZVFWFLSA-N 449.552 1.990 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(C)=O)C1 1595797808 IREQXTQZTCCKDJ-DLBZAZTESA-N 425.555 1.225 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1595799352 ZAZHQRZATXIFSU-NVXWUHKLSA-N 425.555 1.178 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595823211 LVOPUKHHOJZLBZ-JOCHJYFZSA-N 443.573 1.381 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1611302317 GPUTXUKGGGIXNV-ZDUSSCGKSA-N 425.449 1.767 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1611313581 DLXVVZUTIALMKM-INIZCTEOSA-N 439.545 1.892 30 10 IDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)n(C)n1 1612467113 KXCKOOAIQBTEJA-UHFFFAOYSA-N 427.534 1.778 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@](C)(C#N)C1 1618846991 FLJXDNCDCZTQHY-LJQANCHMSA-N 436.513 1.675 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@H](C)O1 1619753345 BOXAWEXOUAAKTC-LPHOPBHVSA-N 442.520 1.493 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCSCCCO)c1 1620348625 AFJKTHVLIYCNMN-SFHVURJKSA-N 426.546 1.743 30 10 IDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(C(=O)CC#N)CC2)C1 1622396141 UGEPPRFDKLSKPD-GCJKJVERSA-N 428.489 1.387 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 1623498970 LHKCAYOKJBQIRO-FQEVSTJZSA-N 434.581 1.744 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1626607144 ZUFRCPNQDOZYPK-UHFFFAOYSA-N 434.468 1.907 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)C2)C1 1628072411 RFIPNIGDTPXNNQ-NHUHVJRWSA-N 437.562 1.809 30 10 IDEE C#CCN(CC(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C 1631223461 LINYROUTGMORBQ-IBGZPJMESA-N 448.951 1.881 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)c1C#N 1633055683 HKPKBFFLRYRBDV-QGZVFWFLSA-N 429.525 1.836 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 1633522343 GWKBXDMKGCERHO-CQSZACIVSA-N 425.334 1.975 30 10 IDEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC1 1634011926 ZCJCLBFSXSLKDJ-UHFFFAOYSA-N 441.509 1.997 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1 1637737773 YZBIQCIMFURWGP-QGZVFWFLSA-N 436.530 1.537 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](C(C)(C)O)C3)nnc12 1639026699 QAFXFMIWMZJCPD-AWEZNQCLSA-N 427.530 1.942 30 10 IDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1639839961 HLYDDIHHXXXVOH-GOSISDBHSA-N 436.530 1.155 30 10 IDEE C#CCN1CCN(C(=O)CN2C(=O)[C@@H](c3ccccc3)N(Cc3ccccc3)C2=O)CC1 1640834573 MXVGCLVKIYDBET-HSZRJFAPSA-N 430.508 1.970 30 10 IDEE Cc1cccc(-n2ncc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c2C(F)(F)F)c1 1641967520 CNRSPYLCANOVLP-UHFFFAOYSA-N 432.362 1.764 30 10 IDEE COc1cc(CN2CCC(NS(N)(=O)=O)CC2)ccc1OCc1cccc(C#N)c1 1644105441 OLOSFIVPNYMARS-UHFFFAOYSA-N 430.530 1.903 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)CC[C@H](O)c3ccccc3)CC2)cc1 1644910891 XURNRJCDXBRKKX-IRLDBZIGSA-N 429.542 1.739 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1 1647854034 PGCDJOFRWIRVOE-NJAFHUGGSA-N 433.530 1.868 30 10 IDEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155914 RCSIIBZALYPCNC-BXTJHSDWSA-N 425.551 1.809 30 10 IDEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1675939288 YYVLGWCKHMJRID-LEWJYISDSA-N 433.512 1.900 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 1684363098 LIDRKKFFHBTTCM-TZIWHRDSSA-N 448.575 1.385 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689986222 LDZCFJIPEAAPJG-NLWGTHIKSA-N 445.589 1.971 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689986580 SRENVEIWGWIXKY-RBUKOAKNSA-N 444.605 1.642 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)OC(C)(C)C 1690067205 UWJMGVVSDVJNST-UHFFFAOYSA-N 437.508 1.905 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1690313549 WVNBXWVEJNZTTR-ZWKOTPCHSA-N 448.593 1.890 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1)c1ccccc1 1690321973 PXMGMIKWXBADBK-DYESRHJHSA-N 447.561 1.597 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690463329 ZQJBDHNNNRAVOA-GOSISDBHSA-N 437.552 1.826 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1 1690670072 YEKBIJHPQGNAIL-MAUKXSAKSA-N 426.521 1.695 30 10 IDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690748899 LDKSFOQRRYDYEH-UHFFFAOYSA-N 436.607 1.701 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1691005213 YHUZKEDFMPDJHO-HUUCEWRRSA-N 428.559 1.022 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1692661969 GHPPPGQDKPSXGW-FUHWJXTLSA-N 439.582 1.752 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)n1 1693430204 LMFLVDHZFRBSFT-SFHVURJKSA-N 426.525 1.175 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705497622 FCRRQVVOHISGCA-IRXDYDNUSA-N 441.561 1.256 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1n[nH]c(C)n1 1705557382 TULMHJFIYZNRMO-UHFFFAOYSA-N 433.564 1.381 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cccs1 1705608287 LQGLPBGCICKYNW-UHFFFAOYSA-N 447.528 1.872 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CCC)CC1 1705635441 YWFRVWNBUVOEGQ-URXFXBBRSA-N 444.624 1.948 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2(OC)CCC2)CC1 1705651320 RVMXEGOAQIASDE-UHFFFAOYSA-N 442.564 1.326 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705741366 NSIMVNASCJVKBW-KSZLIROESA-N 442.582 1.608 30 10 IDEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 1705743561 AUAGSMNSHKKFIF-QGZVFWFLSA-N 431.562 1.983 30 10 IDEE C=CCCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705823457 MCCBCXWMOCNZAR-FCHUYYIVSA-N 446.552 1.711 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705832982 PZDQUAJGGYNHTB-INIZCTEOSA-N 425.541 1.637 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705895458 HNUIYKKGLWUHAW-ZBFHGGJFSA-N 446.458 1.564 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)S[C@H](C)C1 1705939497 YLORREWZTSIOCS-YVSFHVDLSA-N 444.623 1.933 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)COC)CC1 1710329655 DGLFIEFDYGXNRR-QGZVFWFLSA-N 425.537 1.357 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1710330325 QMTSHNCESJTRMZ-UHFFFAOYSA-N 444.499 1.588 30 10 IDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1710689234 WOGOLLJSPOSHAK-LJQANCHMSA-N 433.488 1.511 30 10 IDEE COc1cccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1711918718 SPWIKBDOUSFHGW-DSGGYQJVSA-N 438.488 1.705 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712055377 FUVFTGXJQCLTIO-XOMICKMZSA-N 437.504 1.790 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCCO)C1 1712876492 YJHUOVKDCJRYAO-INIZCTEOSA-N 427.278 1.877 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1722363507 GDEQVBYJTXLIIH-QAPCUYQASA-N 431.562 1.474 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)F 1722418706 ZMQRRIJJPVWOQF-UHFFFAOYSA-N 429.406 1.895 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCN(C)CCOC)CC1 1722445476 RJADASXBHSBACZ-UHFFFAOYSA-N 438.576 1.798 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ncccc2N(C)C)CC1 1722450954 UOFNPRDXVDAARV-UHFFFAOYSA-N 425.537 1.290 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1722459641 OGOUZOPFLDKBOH-IAGOWNOFSA-N 445.593 1.977 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1722504786 PKLASWRCWDKBPT-GGPKGHCWSA-N 427.553 1.788 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722688292 AQSLOMSBMZCHLG-DLBZAZTESA-N 437.541 1.079 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722695132 ULFJUDIIZKIVHA-GOSISDBHSA-N 440.548 1.999 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1cccs1 1722696001 XHOYRAKMOOXOKG-UHFFFAOYSA-N 435.517 1.921 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722701873 GXTQFDIMHCKBRL-KRWDZBQOSA-N 426.521 1.525 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)C(=O)C1 1722739715 GXOYPKCVTHMXOE-UHFFFAOYSA-N 448.549 1.220 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1728201404 DYTDUYAERMPYMU-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1 1729220332 ZZTKMVAGQXXNDX-FQEVSTJZSA-N 431.566 1.723 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1729397575 XHLMOXCLULQAPP-GHTZIAJQSA-N 445.545 1.494 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1730955394 JBELDMSYODJAMK-HQRMLTQVSA-N 446.552 1.570 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 1730992378 BXYLGHUMUCNIFD-UHFFFAOYSA-N 442.545 1.486 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@@H]2COCCO2)cc1 1731185132 RLBNXCQCFKZOEP-PKOBYXMFSA-N 440.504 1.236 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1740672089 WLOPLSNKUBFBSF-IBGZPJMESA-N 446.577 1.185 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCC[C@H]2CO)CC1 1740696006 IZNUOBVFHUXFKU-RTWAWAEBSA-N 430.597 1.164 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1740773691 BCCYMBLRUMONET-RBUKOAKNSA-N 438.642 1.609 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740900228 WMGZGHXPDNXBHD-IRXDYDNUSA-N 429.546 1.856 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCNS(C)(=O)=O 1748656690 WBFJYQYFARPCHP-LLVKDONJSA-N 444.330 1.854 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1748710039 DSGVQZKMECYMBF-HXUWFJFHSA-N 438.580 1.705 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OCC)c1ccccc1 1748790618 JVXLXZOTIVYDSE-MOPGFXCFSA-N 447.561 1.458 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OCC)c1ccccc1 1748790624 JVXLXZOTIVYDSE-RTBURBONSA-N 447.561 1.458 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn[nH]c1 1748940425 KRHHUUMOXSEVBB-OAHLLOKOSA-N 445.524 1.633 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2COCCO2)CC1 1749016615 HLHSJISOKJXNKW-SFHVURJKSA-N 444.561 1.015 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1749736857 QSSYCCOGWDMAIG-UHFFFAOYSA-N 439.545 1.857 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1749756186 UKRUICOYPLRRED-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1CN1CCOCC1 1750058390 BHCFNKBMSNUTAL-SFHVURJKSA-N 439.564 1.893 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1751036798 DOFNBTIMYIONJH-IBGZPJMESA-N 447.561 1.882 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1751169438 AHOLLQHFUKKXFG-INIZCTEOSA-N 447.561 1.618 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760144369 NCYKZTDCGDHRGG-UHFFFAOYSA-N 430.534 1.742 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1760190432 WIOYIZVOSBQJPF-SFHVURJKSA-N 442.570 1.974 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1760248637 PDFGBIYZQKMUAG-IRXDYDNUSA-N 448.568 1.865 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2[C@H]2C[C@H]2C)n1 1760251481 BDQQKXMPMXBXGO-NUJGCVRESA-N 432.550 1.244 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760255033 TURWHXFWDHWQAC-UZUQRXQVSA-N 441.532 1.257 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2cccs2)CC1 1760262924 GXDOQKBCGLZNJQ-UHFFFAOYSA-N 435.557 1.511 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1760263445 BNEMEYMQDCBSBF-FQEVSTJZSA-N 442.564 1.545 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)CC)CC1 1760271569 CKTPEORRVZJMJH-DEOSSOPVSA-N 449.559 1.643 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1760314405 WFBSERHAVVWBSB-FUHWJXTLSA-N 438.523 1.882 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760357536 KPVWCEAKZXIFAV-SFTDATJTSA-N 432.613 1.979 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760438236 BZCPKCCASIQIHW-OAHLLOKOSA-N 430.513 1.047 30 10 IDEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)s1 1762487392 MZOJFCJCWIOQPG-GUYCJALGSA-N 439.542 1.415 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)NCC(F)(F)F 1764909929 GXENITQCJZGDEY-UHFFFAOYSA-N 439.417 1.856 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1767213775 CPNYUPKBAUOVCI-HSZRJFAPSA-N 437.548 1.236 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1conc1COC 1767864589 TYMGJLGCHHGDJT-UHFFFAOYSA-N 425.449 1.532 30 10 IDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1 1770862373 YGJYLWQHSZAXTR-UHFFFAOYSA-N 434.504 1.774 30 10 IDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1854047107 AGWMYTLGNIJJSD-WOJBJXKFSA-N 431.558 1.906 30 10 IDEE C[C@@H]1C(=O)N(C(=O)CCS(=O)(=O)c2ccccc2)CCN1Cc1ccc(C#N)cc1 1855643673 HWPAOTARLNTNBP-QGZVFWFLSA-N 425.510 1.982 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)c2ccccc2N(C(=O)CN(C)C)C1=O 1856376435 RQTAJMRBDIYIMY-HNNXBMFYSA-N 426.498 1.824 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(Oc4ccsn4)CC3)CC2=O)CC1=O 1856796737 VLGHOQMPBJOKSS-HOTGVXAUSA-N 432.546 1.396 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cc4ccccc4cn3)C2)CC1 1857042367 WWUVERNYXWVJIR-GOSISDBHSA-N 426.498 1.789 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)[C@H](C)C2=O)CC1=O 1857468571 FYHVDFRCODQIOL-HUUCEWRRSA-N 429.908 1.582 30 10 IDEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc(OC)c1O 1862633641 DPCUJKVKDRSUOR-SFHVURJKSA-N 443.408 1.709 30 10 IDEE N#Cc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866590381 YXFBULJJIYRXKS-XLIONFOSSA-N 441.509 1.755 30 10 IDEE C=CCOc1cn(CCOCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870386952 KGLCMCSPDMTYGZ-UHFFFAOYSA-N 443.544 1.753 30 10 IDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870535123 HWOANXBSCFRLTR-KDURUIRLSA-N 434.581 1.480 30 10 IDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596977 MOBHJWZZWLRXGC-UHFFFAOYSA-N 441.536 1.523 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)=C[C@@H]1O 2131476113 LALUBWDTJNGURK-GJZGRUSLSA-N 446.313 1.299 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCOCc1ccccc1 2247880850 MPSNMYJXFBUDCG-UHFFFAOYSA-N 435.355 1.605 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H](O)C[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247986078 QJOKHYPKQNNOLI-CABCVRRESA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2254801703 KNOWZBYINPPKLV-NRFANRHFSA-N 433.314 1.939 30 10 IDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255624475 ZAKFGNPMFZDJBV-HIFRSBDPSA-N 434.346 1.847 30 10 IDEE Cc1ccnc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255634578 ACVSXPCADRJFKP-AWEZNQCLSA-N 433.314 1.970 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255654939 FZXCUUMUMJACRH-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255699341 OVHMTAQAWQKQOC-ZSEKCTLFSA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C(=O)C1 2258956154 WHCUXZDJPWGRQF-UHFFFAOYSA-N 435.330 1.207 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)n1 2267108186 FSEQILZAUUWBIU-MGPQQGTHSA-N 447.345 1.100 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2267135504 DFXRDMKBBNBTEK-BPLDGKMQSA-N 448.329 1.073 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267156272 HKVAZRXFVMTZBD-RCDICMHDSA-N 446.357 1.767 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CC(OCc3ccccc3)C2)C1 2267273571 OPNQFVMSXDQOFJ-UHFFFAOYSA-N 438.337 1.936 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](COCc1ccccc1)CC(=O)O 2269058302 SBYWKYYABFQCMJ-INIZCTEOSA-N 443.309 1.509 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2312860780 XPZDRZWVDYWCJK-NFAWXSAZSA-N 432.330 1.694 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337204810 PRECVYAZFFYUII-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)cn1 59886884 PTTDGPXYWWKSPT-QGMBQPNBSA-N 445.465 1.733 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN(CC(F)F)CC2)CC1 60906545 WOEDWAZPHPLPAN-UHFFFAOYSA-N 434.447 1.338 30 10 IDEE CN1CCN(CC(=O)[C@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]32C)CC1 253532867 CZBOZZDZNVIXFC-WZOMXDSUSA-N 442.600 1.813 30 10 IDEE O=[N+]([O-])c1cccc(/C=C\C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 254308487 JJPSKWJUDGAJFR-JQUSQWRTSA-N 440.464 1.564 30 10 IDEE C[C@@H]1CN([C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)c2c(F)cccc2F)C[C@@H](C)O1 301309290 XLOJLSFJLOBDDJ-PBFPGSCMSA-N 433.459 1.496 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)c1ncc(Br)cn1 432527109 PDCNFRBAAIJMFE-NWDGAFQWSA-N 431.298 1.882 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 433357626 YDMORSOBHOUBLL-NXEZZACHSA-N 432.296 1.055 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 441518112 XLYVZZYRYBQMHG-UHFFFAOYSA-N 438.513 1.839 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C#N)cn1CCOC 481344732 KZKLYOYNPHQTAK-GDBMZVCRSA-N 431.493 1.705 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)CS(=O)(=O)c3cccs3)cc2C1=O 502098959 KLGIHMFQTKGXMP-ZDUSSCGKSA-N 434.495 1.095 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CC(F)(F)F)C(=O)C1 512779684 SWNUPHBRYWGCFJ-UHFFFAOYSA-N 429.443 1.658 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)nnc12 518752963 BKZWIURUKQDGCY-UONOGXRCSA-N 440.529 1.435 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 519233677 PCXCDNDBDHTZEL-HNNXBMFYSA-N 445.549 1.851 30 10 IDEE N#Cc1cccc(CC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1 531390177 ICKJMLONGJVUPF-QGZVFWFLSA-N 433.511 1.205 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN3CCOC[C@H]3C1)CCCC2 544521468 WHDHHSFSEATVHG-MSOLQXFVSA-N 427.549 1.372 30 10 IDEE C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 546223428 KFHWOPAAJFQXDF-INIZCTEOSA-N 442.545 1.796 30 10 IDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ncc(Br)cn1 552386127 XVLSRVSRFCFKHH-LLVKDONJSA-N 438.307 1.922 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 555239974 CTCSOXMCYVLPDW-IUVQAAGXSA-N 427.571 1.627 30 10 IDEE COc1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)ccc1C#N 557536310 TZGGUTRZEKFDPG-UHFFFAOYSA-N 435.527 1.830 30 10 IDEE CCOC(=O)c1sc2ncn(CCS(=O)(=O)c3ccc(C#N)cn3)c(=O)c2c1C 576740702 ZKQNHPWZNXHFMG-UHFFFAOYSA-N 432.483 1.684 30 10 IDEE COc1ccc(CC[C@@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1 582690477 HOPKWZIAGFLQKM-OAQYLSRUSA-N 442.497 1.679 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587647210 HAZFCHNRNNBKKO-IBGZPJMESA-N 446.555 1.771 30 10 IDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(OC)c(OC)c(OC)c3)N2N1 588225504 PIFRNVISMFFRIZ-FQEVSTJZSA-N 438.509 1.775 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611916234 WNVHZKBVQULPRH-UHFFFAOYSA-N 434.521 1.449 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C)[C@@H]1CCS(=O)(=O)C1 729330609 BPBHKDTWJWWBHY-MRXNPFEDSA-N 426.560 1.288 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)CSc3ccc(C#N)cc3)ncnc1-2 729462260 IOUFJYALDSXMDY-UHFFFAOYSA-N 446.334 1.691 30 10 IDEE CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc(C3CC3)nc21 732664608 RRBPIELQCSZLOJ-INIZCTEOSA-N 436.516 1.843 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2c(Cl)nc3sccn23)CC1 734750733 FGFDDJDJFOCIQU-UHFFFAOYSA-N 439.954 1.826 30 10 IDEE COC(=O)[C@@H](OC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(C#N)cc1 740199421 OWHIKYLZAKJUIM-CVDCTZTESA-N 433.420 1.709 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(CC(F)F)CC2)c1 747294456 MKYTVHOTAQNMAH-XLNRJJMWSA-N 429.493 1.914 30 10 IDEE CCc1c(C(=O)NCc2cccc(O[C@H](C#N)CC)c2)cnc2c1c(=O)n(C)c(=O)n2C 754029595 NSEBTXHSCCOODY-HNNXBMFYSA-N 435.484 1.806 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)cn2)c1=O 761834669 DQYRAGUJKJQMSS-UHFFFAOYSA-N 435.505 1.654 30 10 IDEE C#CCN(C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774170928 JGLAQNLSXBLKPH-OAQYLSRUSA-N 432.590 1.026 30 10 IDEE Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](O)c2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C 780211295 WKUXCFISAROMDL-YWZLYKJASA-N 434.452 1.960 30 10 IDEE C=CCn1c(C)nn(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)c1=S 780765562 MXIZSJNVVCFPHO-SFHVURJKSA-N 444.609 1.721 30 10 IDEE CCOc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 780856555 OBJXKRYQUUFUSP-FQEVSTJZSA-N 445.497 1.650 30 10 IDEE C[C@H](OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)NC1(C#N)CCC1 787586955 XGRARPRAEZWFIM-NSHDSACASA-N 448.273 1.929 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H]2CCSC2)C1=O 794440714 IBZWVZYAKPSJPP-QGPLXKMCSA-N 435.619 1.498 30 10 IDEE CNS(=O)(=O)N1CCC(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC1 797192811 LLGBXHLTSHMSMC-UHFFFAOYSA-N 436.321 1.877 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C1 799258029 YOBGSGBTRWWUGN-BBRMVZONSA-N 427.461 1.237 30 10 IDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 806544698 BFCDQFFEALBIKE-INIZCTEOSA-N 431.493 1.448 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 812190327 WBPNEVLESRWAPB-VFNWGFHPSA-N 434.541 1.864 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 917930221 GUWUKFQGZGKBST-LBPRGKRZSA-N 426.438 1.551 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 919318058 BHUXGOCQEIDSPM-OAHLLOKOSA-N 432.420 1.817 30 10 IDEE C=CCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 921164676 FWGKICKSKBJEET-MRXNPFEDSA-N 444.575 1.213 30 10 IDEE Nn1c(NN=Cc2ccccc2O)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084070131 DWPBAVRTJNIDHI-UHFFFAOYSA-N 428.434 1.783 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(C[C@H]3CCOC3)nn2)c1 1125189325 SQVUMCPRHHLCAM-FSXJBPCSSA-N 432.506 1.380 30 10 IDEE Cc1nc2cc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc2n1[C@@H](C)CO 1140722776 AADCEWRYMMCQLH-ZDUSSCGKSA-N 427.486 1.687 30 10 IDEE C#CC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OC 1161357235 MLHMRVCQAGPYMR-OALUTQOASA-N 448.566 1.921 30 10 IDEE N#C[C@@]12CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1164206460 YCAQEJWDIMJSHN-ZANVPECISA-N 439.393 1.263 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)CCc2cccc(C#N)c2)cc1 1169895231 QWFXBYBAUBZCDU-UHFFFAOYSA-N 428.514 1.886 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F 1208473034 CXOARJRRVCHULN-GWQKEKGPSA-N 446.494 1.953 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)C2)cc1 1248532162 WGYSIUNCHCKXNF-HXUWFJFHSA-N 444.513 1.315 30 10 IDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C#N)c(C)n1 1248621075 AWHCYZYMOORNGV-CYBMUJFWSA-N 446.485 1.705 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@@H](CO)Cc2ccc(OC)c(Br)c2)nn1 1252076290 CRUYCZMZVUXRQH-AWEZNQCLSA-N 438.326 1.886 30 10 IDEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1269094695 PYMJDLQSIKNFPD-RBUKOAKNSA-N 433.468 1.237 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286349522 ZMRKTVVNRCETPK-INIZCTEOSA-N 435.488 1.349 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)c2occc2C)CC1 1286481359 UMYCCVSRDMVITE-IBGZPJMESA-N 440.548 1.996 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)[C@H](C)CC)CC1 1286493110 DTKWFDSEKUFWOM-IEBWSBKVSA-N 444.580 1.427 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1286561974 DJJNESCHXOFOKV-UZLBHIALSA-N 432.569 1.733 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286610718 AAKFMBYHSIGXJI-RTBURBONSA-N 433.553 1.940 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1286787504 VLVXAAAZOICKGT-KRWDZBQOSA-N 448.531 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)C1 1286817919 ZPNZMDMZBKIDNR-UHFFFAOYSA-N 431.562 1.851 30 10 IDEE COC(=O)Cc1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1287256837 UDPVMBJOENGAME-IBGZPJMESA-N 434.452 1.795 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N(CCC#N)Cc2ccccn2)C1 1293066043 VKENYOKAPSTPBV-KRWDZBQOSA-N 436.534 1.748 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1296368487 PVBIMIWGRLQEBW-CYBMUJFWSA-N 447.945 1.279 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(N2CCOCC2)n1 1300266718 ABPLJQHHMYIWTH-QGZVFWFLSA-N 439.564 1.934 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300299543 RDYOFHMDOPYFSS-HNNXBMFYSA-N 426.502 1.676 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300357034 HHPQUXTZOGSYIH-OAHLLOKOSA-N 440.470 1.928 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1300496394 QUUXPRJYJXEKKS-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)(C)O 1300574755 JCMPZLSUYQIGQK-UHFFFAOYSA-N 428.562 1.862 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(=O)NC)C1 1300743547 USETYEQGARBYHT-INIZCTEOSA-N 430.490 1.171 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(=O)NC)C1 1300874015 LBKMGIBERLNYMO-JQHSSLGASA-N 448.568 1.129 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1300885630 RHVDLMXYHTZMAL-ZACQAIPSSA-N 425.555 1.192 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300888594 LBGRFLSKJZWASB-GGPKGHCWSA-N 431.562 1.868 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCN(C)C1 1301422215 COKLPNPRQKAFSG-QHCPKHFHSA-N 437.548 1.836 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(C)=O)C1 1301528591 CIPOMOPNGHZWOW-OALUTQOASA-N 438.532 1.947 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cc[nH]n2)C1 1301567617 XLCQCRDUINTHKP-INIZCTEOSA-N 427.534 1.865 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1301611928 INVZZZMENOIFQH-OAHLLOKOSA-N 427.596 1.191 30 10 IDEE CC(C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302628096 JGPDIIUCDYHWIE-LZICOFPGSA-N 427.509 1.129 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2c(cnc2C(F)(F)F)C1 1304280227 DJZCRQQKWYXPIA-UHFFFAOYSA-N 441.435 1.763 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1305629536 UHVXZWNJFZOLLP-MWTRTKDXSA-N 435.532 1.838 30 10 IDEE CN(CCC#N)C(=O)CCN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1307913557 LUIBQUVXTQGHNO-DZGCQCFKSA-N 434.459 1.602 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)CC1 1310847936 XBGJVKWEYQVMPK-ZDUSSCGKSA-N 434.440 1.633 30 10 IDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1312481932 RNKBPNOKPJZRAU-MRXNPFEDSA-N 430.534 1.430 30 10 IDEE C=CCNC(=O)CNC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1313277240 NWULQWLYCPBEKD-UHFFFAOYSA-N 445.564 1.841 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1314544717 CVYDISGPKKHEFV-MRXNPFEDSA-N 445.593 1.675 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)n(C)c2=O)C1 1315087529 FLHKZNHMBTZAKF-LJQANCHMSA-N 432.484 1.872 30 10 IDEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1316096150 DFYXQFRBCPCVCA-OAQYLSRUSA-N 445.545 1.229 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1316145116 ZLAFRZQZSDGJJZ-INIZCTEOSA-N 426.521 1.831 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)cn1 1329359270 JBGDKHSHTXUQHS-SFHVURJKSA-N 430.486 1.299 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(Br)cn(C2CC2)c1=O 1353197462 BCMJIUWZPBKBPE-UHFFFAOYSA-N 433.266 1.629 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1358930265 QZSUBVKSFBCWGH-SJORKVTESA-N 446.552 1.702 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358962293 NJKCQEMCGAHMJR-QZTJIDSGSA-N 430.530 1.553 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358963561 KEEQESYKPSFOLD-PKOBYXMFSA-N 435.594 1.283 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1359007705 SHOXYIGMKXFMHP-UHFFFAOYSA-N 432.488 1.840 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[S@@](=O)CC)CC1 1359043620 BATMOECHEVJNAT-PMERELPUSA-N 428.562 1.383 30 10 IDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359153458 GKMCGWZEYBHXSX-UHFFFAOYSA-N 442.955 1.479 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1360475741 DDMGQWSTMOYNEG-SJLPKXTDSA-N 425.537 1.956 30 10 IDEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)cc1F 1361117327 FDOGBDHKGPQOEA-HNNXBMFYSA-N 441.511 1.988 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1436660019 RRRBUAMZZAYNEP-LZWOXQAQSA-N 426.922 1.612 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2nc(S(C)(=O)=O)ncc2C)C1=O 1448757552 STIVDUGIUMZTAM-SFHVURJKSA-N 425.511 1.504 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 1466690680 RVLIPPJUUNODCY-QWHCGFSZSA-N 427.889 1.874 30 10 IDEE C#CCOc1ccccc1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1468849065 VKRKHCRONHYFHK-UHFFFAOYSA-N 427.526 1.933 30 10 IDEE N#Cc1cn(CCNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c(=O)nc1O 1470359573 BWSFWTLPSCDKLS-UHFFFAOYSA-N 428.452 1.577 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1470401228 QEEKFMIZZOBRII-FZKQIMNGSA-N 433.511 1.011 30 10 IDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 1471128713 TWZFVJSESNCEMH-GOSISDBHSA-N 425.537 1.647 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNC(=O)c2cnccn2)C1 1471361893 YWNPUTPRNZOIFF-UHFFFAOYSA-N 429.278 1.093 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1 1475439772 XBJJMGZSVLMLBF-CYBMUJFWSA-N 433.452 1.682 30 10 IDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)C1CCCC1 1478899846 PABXGHAKBDBMCS-WOJBJXKFSA-N 449.577 1.596 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1507537712 IZWKBRXHZPPICV-RLFYNMQTSA-N 427.596 1.355 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1507589606 XXBJBGWOHFAVRM-QZTJIDSGSA-N 449.621 1.972 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1507600424 GEELPTMVDXJJLK-CQSZACIVSA-N 428.559 1.215 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1507632629 OMTKVADLBXLUGT-IAGOWNOFSA-N 449.602 1.725 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1507650881 WLCHVSVPWPEWHT-KNQAVFIVSA-N 429.590 1.453 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCCC1=O 1507657132 ROCDSZKJICMKJL-UHFFFAOYSA-N 429.528 1.992 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1507711497 VTFWFIUHHIPSST-DBXWQHBBSA-N 436.578 1.471 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCS(C)(=O)=O)CC1 1507733992 DYTCBUQEOCQKHE-UHFFFAOYSA-N 433.534 1.247 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCN(CC)C2)CC1 1507738694 VXGDAYKCINHKHP-IBGZPJMESA-N 435.576 1.956 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508092560 RHDOVYOZVONDIY-FUHWJXTLSA-N 432.569 1.461 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(CC)s1 1508139068 CZFBOOWDPLXJLA-CQSZACIVSA-N 438.579 1.485 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1509946316 QYLLHINAZKMBIN-INIZCTEOSA-N 448.535 1.966 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1512494597 YSELBDICUXYVFJ-SKRHAUIRSA-N 437.504 1.404 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)C1 1516023406 GLDHZZCOMLDPNK-SFHVURJKSA-N 430.534 1.657 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517899365 XSSFUQASCAMVBU-KWEZKLGQSA-N 430.509 1.314 30 10 IDEE C#C[C@@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)c1ccc(Br)cc1 1528497963 QRHPLUYEWTXURQ-CQSZACIVSA-N 429.274 1.443 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1538539476 HOVLOIZVUPEMJA-RXVVDRJESA-N 444.534 1.671 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1538973225 NPTLRLPCJODUDE-HDMKZQKVSA-N 436.557 1.788 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1539225094 LTBSHRSBCAUPSR-IBGZPJMESA-N 443.573 1.707 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1539257349 IGADUCHIPOUDRI-ROUUACIJSA-N 430.512 1.937 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1539315605 PHLAGSWTSRPLAY-QHCPKHFHSA-N 429.484 1.535 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cncn1 1539377469 QTIKMNKLPJREDE-UHFFFAOYSA-N 433.564 1.394 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)CCOC)CC1 1539428394 QWETUYONSPVLIJ-UHFFFAOYSA-N 425.537 1.743 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNS(=O)(=O)CC)CC1 1539434159 AXTWUKBKBQSBFF-UHFFFAOYSA-N 436.969 1.293 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1539802935 CESSRRAVWRIZBL-HNNXBMFYSA-N 429.974 1.234 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1539803751 MWPLUWUXXITQAS-QEJZJMRPSA-N 433.962 1.225 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C)C1CC1 1540109386 PGDXNXVRHYGXHX-KRWDZBQOSA-N 436.538 1.419 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540867357 SLBSRMIYGJMPOP-GOSISDBHSA-N 449.559 1.808 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCCS2(=O)=O)C1 1540893970 NWNOKLLLLQEKPB-GOSISDBHSA-N 449.552 1.825 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)s1 1543197646 SZFMVLFJROWWFR-UHFFFAOYSA-N 437.543 1.861 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)s1 1543267532 FBZBFHRBMPLFRA-OAHLLOKOSA-N 437.518 1.816 30 10 IDEE CCCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1547079089 XCEXQQTXAHIUFN-QGZVFWFLSA-N 440.570 1.168 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1555280292 FUZGDNKJIPHSSW-QZTJIDSGSA-N 442.495 1.914 30 10 IDEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=CCC2)CC1=O 1555575975 WDXNTCKPYRZDNN-LJQANCHMSA-N 436.516 1.990 30 10 IDEE N#Cc1c(F)cc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F 1556317939 RWYSIFXANZKWBA-ZNMIVQPWSA-N 439.484 1.562 30 10 IDEE N#Cc1nc(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)[nH]c1C#N 1557256040 XLLUHIQLASOZPZ-UHFFFAOYSA-N 426.234 1.625 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)CC1CC1 1559658300 FTGRIGNUSVSYDT-UHFFFAOYSA-N 429.586 1.744 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H](N4CCOCC4)CC3)C2=O)cc1 1564547150 HQSAATCSLXVGNJ-TZIWHRDSSA-N 425.533 1.950 30 10 IDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1567508707 WPIAOTHHJSVRTG-GOSISDBHSA-N 430.461 1.579 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)cc1 1568917811 NHRKWXTXQNVBMB-MRXNPFEDSA-N 431.518 1.789 30 10 IDEE CN1C[C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](c2ccccc2)C1 1570659164 BSELUKWSBNNLFT-MJGOQNOKSA-N 426.542 1.577 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C1CCCCC1 1588139088 LLFGVIQFFNXIEE-LJQANCHMSA-N 431.606 1.908 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(C)C 1588140354 VUQPSQSLCXKGEV-ROUUACIJSA-N 431.587 1.617 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1588884697 KOUJKJLQHBAPRC-ZWKOTPCHSA-N 442.564 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)CN2CCOCC2)CC1 1588955218 RRCNKVJZIFSNMJ-SFHVURJKSA-N 428.581 1.165 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC(N)=O 1589569612 POAYGONAORJNRR-VCBZYWHSSA-N 446.577 1.951 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1589664339 YICKWMDGBSRGSZ-IBGZPJMESA-N 449.577 1.962 30 10 IDEE C=C(C)COCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1593768482 FIUYLKWMJOQVSA-PZJWPPBQSA-N 448.612 1.786 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccccc1 1594962972 OIMNWJHDPSEBOL-YLJYHZDGSA-N 435.550 1.141 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1612486752 PSSZPANXQMJGFA-DPMQENLTSA-N 438.536 1.758 30 10 IDEE CN1C[C@](C)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)C1=O 1618463873 QTUXZJNXRKZRHW-LEWJYISDSA-N 441.561 1.878 30 10 IDEE COCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1619821864 JTTHGMGLQHJVFZ-LPHOPBHVSA-N 440.570 1.168 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1620172432 FBXLJMPCFCYFIS-MAUKXSAKSA-N 448.524 1.777 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)nn1 1622441453 MIEDYIBOEMNUQJ-RTBURBONSA-N 449.533 1.310 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 1622605604 KETXMEBSJVQYJO-UHFFFAOYSA-N 429.336 1.954 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 1629431159 SLHXWQCJTOGISF-CYBMUJFWSA-N 445.472 1.736 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nscc3Br)CC2)cc1 1629486027 UZJBSNHREOIFRH-UHFFFAOYSA-N 441.332 1.924 30 10 IDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nn1 1629545912 FKHXJQUXSXHRDF-UHFFFAOYSA-N 430.317 1.918 30 10 IDEE Cn1cnnc1N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1631677077 BDDHUKPRBQYYQA-UHFFFAOYSA-N 430.310 1.234 30 10 IDEE CS(=O)(=O)CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CC1 1631916676 XJHPRMLCTYEDLW-UHFFFAOYSA-N 426.336 1.793 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 1632837888 RXTIDBVCSJHKGU-UHFFFAOYSA-N 440.587 1.806 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2c[nH]c3cccc(C#N)c23)CC1 1633385374 SWNDJYGMPLLOMV-UHFFFAOYSA-N 437.525 1.906 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1635361300 GWPYMUGJOHFSQE-XLIONFOSSA-N 426.542 1.721 30 10 IDEE N=C(O)OC[C@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1638062022 VVIAZTAOECNCAR-INIZCTEOSA-N 444.513 1.742 30 10 IDEE CCOCCOC[C@H](O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639941288 ILQOHSGUEULUDK-MRXNPFEDSA-N 426.311 1.287 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)s1 1641894405 DRLVBTPRIBJWLN-ZDUSSCGKSA-N 434.499 1.096 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 1645415876 SRUQXSIEVMLONY-PKTISDMASA-N 448.317 1.702 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1654906544 PZFATAZYLOGHET-KRWDZBQOSA-N 428.489 1.839 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC[C@@H]1C(=O)OCC 1656936874 WPXKTICMDPIMTG-QGZVFWFLSA-N 443.566 1.593 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1689824295 MJGIHVQICOHIRA-HNNXBMFYSA-N 433.472 1.296 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1689842028 SBGXXMYURMYCPN-YCRPNKLZSA-N 448.545 1.360 30 10 IDEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1689879938 MBEWMZZFWGEXSE-UHFFFAOYSA-N 440.548 1.631 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OCCOC)C1 1689924372 FHDVKZPIJKXMLS-QGZVFWFLSA-N 446.577 1.893 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1689930075 KHROKHCPJBRYRQ-ZWKOTPCHSA-N 443.552 1.998 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689972489 QRKMYMYZGULHQX-RBUKOAKNSA-N 445.593 1.413 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689991841 DITAUWXXCRENFI-SFHVURJKSA-N 437.610 1.214 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1690034478 JHPJFXZRQDVIRB-HSZRJFAPSA-N 429.565 1.504 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1690076848 CBDHMCCYKZFKBU-LJQANCHMSA-N 431.562 1.703 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOC2CCCC2)CC1 1690137126 OABIQMJTUZIVTF-UHFFFAOYSA-N 444.580 1.731 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1690668597 BFMLAFFPMANWCW-HNNXBMFYSA-N 437.504 1.202 30 10 IDEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OC 1698060589 HNUZCRGNXPQEPV-UHFFFAOYSA-N 439.520 1.983 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1698493439 LWXCMRMBJFXYCN-FQEVSTJZSA-N 447.499 1.518 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1705495878 XCSBATNOPBISKK-AZUAARDMSA-N 445.589 1.928 30 10 IDEE C#CCCCCn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705517655 ACUUDIXJFXPLSQ-LJQANCHMSA-N 437.610 1.911 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705560534 HVRYDMHZBTWOAM-INIZCTEOSA-N 448.545 1.360 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705564322 BRJYSQYNNKSQJV-MOPGFXCFSA-N 435.594 1.141 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1705596979 SKTIRZAEYGKGEZ-FCHUYYIVSA-N 446.555 1.766 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1705649768 GNSKPBFGQMHHLW-UUOWRZLLSA-N 436.560 1.781 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705907065 YQTRWIVDICIABU-WMLDXEAASA-N 444.923 1.528 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705908648 SVPVCWKWYAOZQO-MSOLQXFVSA-N 441.488 1.836 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C3CC3)C2=O)CCOC1 1706068639 NUQPATIVMGLISF-HVETUWLQSA-N 430.553 1.925 30 10 IDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1709372796 CLTJNJSEJRRWPT-KRWDZBQOSA-N 448.549 1.235 30 10 IDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1712426845 ZSOBNSQIWOPSHS-ICSRJNTNSA-N 426.521 1.675 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1712616629 CMNGNOLEOURZCF-FQEVSTJZSA-N 440.548 1.638 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712710451 GTSBXSHBUIPLTP-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE CS(=O)(=O)NCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1ccc(C#N)cc1 1712713487 BNFSMUQKVRUKGS-OAHLLOKOSA-N 448.459 1.886 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1722381739 AZWCZOKNGHLTCX-IBGZPJMESA-N 434.525 1.487 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCO[C@@H]1C 1722427164 QDRZBEOUCYTNRY-WVBUVRCRSA-N 428.489 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOC2CCOCC2)CC1 1722450736 PGEVOTJYALPSEU-HXUWFJFHSA-N 445.564 1.681 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722456439 UDULLLFJPMZNNO-MRXNPFEDSA-N 444.948 1.112 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)NC(C)C 1722478322 OURLLIBDKMGIOI-ABSDTBQOSA-N 439.582 1.322 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCCO)CC1 1722584104 XWXHAMABJPPEPD-SFHVURJKSA-N 441.598 1.566 30 10 IDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1722607689 YORSIHGGPGSSNE-MRXNPFEDSA-N 432.550 1.473 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccccc1)C1CC1 1722698500 GGBWFRSTISUADE-QGZVFWFLSA-N 429.546 1.651 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722699027 AHPSVSUPJZZLBU-UHFFFAOYSA-N 428.512 1.767 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(OC)cc2C1 1722727197 JFJAVKQOMLRPMD-UHFFFAOYSA-N 442.545 1.851 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc(N(C)C)cc1 1723916103 TYDVDXPJCINIMZ-CVEARBPZSA-N 433.582 1.935 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1729295596 CDLFBGVPHLCHEY-NRFANRHFSA-N 445.527 1.937 30 10 IDEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CC2)cn1 1729576108 RTWOJYWNALYXOS-UHFFFAOYSA-N 436.520 1.276 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccn(C)n1 1740537097 AQZUEMBVBAONGZ-AWEZNQCLSA-N 426.550 1.786 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1740618194 DSYMTMNWDDREGY-GHTZIAJQSA-N 427.530 1.604 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1740631279 SKYNVBLOQCBZGK-OAQYLSRUSA-N 428.514 1.227 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2COCCO2)CC1 1740691995 PXMOJLPWWXPTJO-QGZVFWFLSA-N 431.924 1.778 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCCCC2)CC1 1740692201 FUCARKLJSLAELK-XMMPIXPASA-N 444.624 1.950 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740786514 GJQURNIMNPWVJE-IBGZPJMESA-N 432.569 1.265 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1740793011 OFWCATYSJXXBKP-UHFFFAOYSA-N 444.517 1.421 30 10 IDEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1740886728 QNUKTIPRNQHENA-FQEVSTJZSA-N 427.549 1.991 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1740887087 BQWOSALWAHUNLT-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740994978 XDWFTFVCEULKCW-MRXNPFEDSA-N 439.582 1.253 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1741274543 OSBZWQVGUMVVNS-CVDCTZTESA-N 438.532 1.709 30 10 IDEE CCC[C@@H](C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1745196136 MKJSUWNEWWRIGS-HUUCEWRRSA-N 443.508 1.287 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCC#C)CC1 1748697733 MDDJXHLUECYJQM-UHFFFAOYSA-N 433.516 1.695 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1748735864 ULRRUBDTJDBDHY-QGZVFWFLSA-N 436.559 1.385 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1748802169 MQGKDBWSNDWOPG-INIZCTEOSA-N 442.545 1.742 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1748817111 FFXSCEYGMHWEIZ-IAGOWNOFSA-N 446.529 1.171 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1748922451 AGXGJPQANJYDCX-SFHVURJKSA-N 449.559 1.855 30 10 IDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cnn(C)c1 1748940417 KETQHSOMTCZEOD-NSHGMRRFSA-N 427.553 1.864 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)C(C)C)CC1 1749015957 UJKGMZTXMBPWCQ-UHFFFAOYSA-N 440.596 1.446 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749420620 HVLNECYZEPURDC-HNNXBMFYSA-N 430.538 1.756 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1749426857 JCGHBAJFLJINNS-YLJYHZDGSA-N 439.582 1.584 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc(CC)nc2C)C1 1749697732 MZYNSFSWJBRUAY-GJZGRUSLSA-N 438.554 1.577 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)O[C@H](C)C1 1749721674 QSGXFWYLFFXSIP-CVEARBPZSA-N 448.549 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1749736057 ZBGXHWPAOMEQIF-UHFFFAOYSA-N 425.599 1.961 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1750214306 AJXYLRBCSINMCX-MRXNPFEDSA-N 441.517 1.161 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCSC2)cc1 1750384628 HUMICYSTBPSYIT-MRXNPFEDSA-N 433.559 1.717 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760146932 ASJNEWGYBPQFEZ-SJLPKXTDSA-N 446.529 1.122 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCCN1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 1760184926 ZYCQKGSEJISBRC-RTBURBONSA-N 437.610 1.265 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760187221 UHQKQASLAKIRDB-OAHLLOKOSA-N 434.566 1.682 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1760206674 IGFRZBFMCUQVGP-UHFFFAOYSA-N 439.541 1.066 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1760306193 DHPALXWTRIXEQP-STQMWFEESA-N 434.360 1.508 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1CCOCC1 1760370784 FBPYMFRCTOTOOR-UHFFFAOYSA-N 429.916 1.442 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1760418891 AXQAARUZRUZZEJ-FXAWDEMLSA-N 425.599 1.429 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H](C)C1 1760555019 UQMIVBGESUZOKW-BZUAXINKSA-N 430.596 1.263 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C 1765537815 HCINUUNXCOGSBA-SBUREZEXSA-N 437.548 1.737 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1851445916 QUVSHDGMSRJZJM-UHFFFAOYSA-N 428.514 1.401 30 10 IDEE N#CCCn1nc2c(c1NC(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)CCC2 1852004742 MZOHJBBDUBTTSQ-HXUWFJFHSA-N 441.557 1.566 30 10 IDEE CN(C)C=NC(=S)N(C(=O)CCCN1CCS(=O)(=O)CC1)c1ccccc1F 1852336655 KUTFASDWNXDQSX-UHFFFAOYSA-N 428.555 1.544 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2C[C@H]2C(=O)NCc2ccccc2)CC1 1852445751 YKKRDNBRCUUFOP-NHCUHLMSSA-N 433.512 1.571 30 10 IDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)c(C)c1C 1855738170 RLNHNICTSPQLFY-INIZCTEOSA-N 426.498 1.940 30 10 IDEE CC(C)n1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)cn1 1856278730 TWISUPWLKNENPQ-QGZVFWFLSA-N 426.546 1.956 30 10 IDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)[C@@H]2Cc3ccccc3O2)C1=O 1857084992 YDXKCLWHOFJXSY-KUHUBIRLSA-N 425.466 1.859 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(C)c1=O 1862023172 QXKVPVOJWCMRRR-NRFANRHFSA-N 437.496 1.852 30 10 IDEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2cc(OC)ccc2OC)C1=O 1863373173 HNKOCTFHMRQICP-UHFFFAOYSA-N 443.481 1.729 30 10 IDEE N#Cc1cccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 1866576862 AHPSRRVNZJTUAW-XLIONFOSSA-N 441.509 1.755 30 10 IDEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)CC1 1868146125 SEGQTOCPBGRHBV-QGZVFWFLSA-N 425.514 1.879 30 10 IDEE O=C(NCCCN1CCOCC1)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933701 MRYLQNPQPKIJRN-HXUWFJFHSA-N 442.541 1.305 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)cc1CN1CCOCC1 1870584879 IHCLKVBLPMAOHD-UHFFFAOYSA-N 446.529 1.852 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@H]2CN3CCN2CC3)[C@@H]1c1ccc(C#N)cc1 1889363063 ALBBPMOZMPDXOX-JBACZVJFSA-N 427.574 1.068 30 10 IDEE CN(C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)C1CN(c2nccnc2C#N)C1 1891904644 BCKRZLJBKAJSKH-UHFFFAOYSA-N 445.439 1.427 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124519347 ITDCLNYUZWJJDA-HUUCEWRRSA-N 448.329 1.596 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2124523979 MVEWGRXYQVLUQY-INIZCTEOSA-N 449.357 1.902 30 10 IDEE CC[C@@H](C#N)N1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164488834 YSFOGOQLMGVLRE-YWZLYKJASA-N 436.509 1.260 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@H]1COCC2(CN(C(=O)OC(C)(C)C)C2)O1 2253632221 CVGLLHQUUBBKSX-LBPRGKRZSA-N 441.344 1.219 30 10 IDEE Cc1nn(C)c(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255627276 QJPKCPWKOVODJL-UHFFFAOYSA-N 434.346 1.767 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255653507 JQMREHKYZABDKC-ZIAGYGMSSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NC1CN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2256620982 PACOEPPHQZGDLA-UHFFFAOYSA-N 432.330 1.528 30 10 IDEE Cc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2258089401 CPTICELOTQZUHH-UHFFFAOYSA-N 430.207 1.936 30 10 IDEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2258230241 VVISYABKXPIQED-ZDUSSCGKSA-N 429.248 1.987 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 2267177098 JGONOCRHOLCFKK-AWEZNQCLSA-N 445.329 1.304 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2267267586 XXLFHTIHICDAQA-KBMXLJTQSA-N 444.341 1.904 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 2267496944 GPOLGNSOROVGRS-SQWLQELKSA-N 446.357 1.705 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269073985 OHASDSBCNAWHMI-WMLDXEAASA-N 443.309 1.508 30 10 IDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2269900155 JAPRERXHEMVXJN-OAHLLOKOSA-N 449.357 1.729 30 10 IDEE O=C(O)CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 16741002 JYZYYGUCDGBFJQ-KFTHWLFJSA-N 440.499 1.314 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 24803901 WKRAOXRMVPJHAO-UHFFFAOYSA-N 443.916 1.726 30 10 IDEE CCOc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1 96297912 KKHIBYJRFPWCEZ-IAMBOQNYSA-N 444.509 1.630 30 10 IDEE Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Cc3c(C)[nH]c(=O)n(C)c3=O)o2)n1 108257581 HYQVAJNKNBECPP-NSHDSACASA-N 432.487 1.089 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ncnn3C(C)C)nnc12 438670190 KLZQDAOYAQNDHT-UHFFFAOYSA-N 438.517 1.811 30 10 IDEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O 442270299 ZWSKFHHFMHYAJW-HXUWFJFHSA-N 436.468 1.697 30 10 IDEE C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)Nc3c(CC)cccc3CC)no2)C1=O 445326891 YZJURSNRUMFVDP-UHFFFAOYSA-N 425.445 1.852 30 10 IDEE COc1cc(N2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)CC2)ncn1 461927398 UXLIONMEPUXONG-UHFFFAOYSA-N 438.879 2.550 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)n1 479360710 FCQFQKPMSGNDMK-UHFFFAOYSA-N 434.521 1.639 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481979172 GWRYKBLEAQAIAF-CQSZACIVSA-N 428.539 1.051 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1C(=O)COc2ccccc21 482358183 CVGBSHXKIBATPW-OAHLLOKOSA-N 442.497 1.157 30 10 IDEE C=CCOc1c(Br)cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)cc1OC 483350565 ZGHODMNVMXZLMR-CQSZACIVSA-N 448.335 1.795 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[S@@](=O)C[C@@H]3c3cnn(CC)c3)cc2C1=O 489367601 LRHHMJQGIMWQGV-VPTFNQTCSA-N 426.498 1.631 30 10 IDEE N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 502038943 YIXVITGDVQWLHW-VQTJNVASSA-N 442.516 1.716 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1 502409503 XIHSWEDEKJLGOW-UHFFFAOYSA-N 433.560 1.997 30 10 IDEE COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505019675 VYPWJHCBKQWGHR-GOSISDBHSA-N 440.500 1.945 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1F 505028767 BALYSGKKHYQVNW-CYBMUJFWSA-N 432.452 1.598 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 508054159 SRHAXUPYNOTDON-FQEVSTJZSA-N 435.532 1.623 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN(C)c1ccccc1 508938312 ITVYJNBSVIWVJU-GOSISDBHSA-N 434.566 1.370 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 541289090 XPSOHWKDOIONHX-UHFFFAOYSA-N 441.582 1.985 30 10 IDEE C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 544832547 VJMMLIFPLNBTLW-INIZCTEOSA-N 427.530 1.656 30 10 IDEE CCSc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@@H]3CCCO3)c2=O)c1 547434540 WSQZSUITLIKGPV-HNNXBMFYSA-N 429.567 1.450 30 10 IDEE CN(CCN(CCN1CCCC1)C(=O)c1ccc(C#N)nc1)C(=O)c1ccc(C#N)nc1 588165221 ICOAXJRPWSJLAD-UHFFFAOYSA-N 431.500 1.530 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OC)c1=O 604523585 QYCTWPBIYKOXCJ-UHFFFAOYSA-N 440.521 1.744 30 10 IDEE CCNS(=O)(=O)c1c(I)cccc1B1OC(C)(C)C(C)(C)O1 694985912 RDXIOAIDQKRZOU-UHFFFAOYSA-N 437.108 1.889 30 10 IDEE CN1/C(=C\C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)C(C)(C)c2ccccc21 743273072 MVRVLDJWZNTFNQ-JWGURIENSA-N 426.561 1.343 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)O[C@H]2CCN(c3cc(C)nn3C)C2=O)ccc1F 744687678 GJOIAZNAQMHKGK-HNNXBMFYSA-N 436.465 1.294 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)CC1 746912658 BZYJGEZRLRWLSW-BXWNDJAQSA-N 427.461 1.510 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C)[C@H]1CCS(=O)(=O)C1 751273919 NEZWSERAKDOXEE-HNNXBMFYSA-N 426.560 1.334 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCO)C(=O)O 757240021 AVZVMANQYDCABA-RTWAWAEBSA-N 436.464 1.869 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1 758563010 UJTNTUVPMNQCST-KDOFPFPSSA-N 439.493 1.056 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@H](NC(N)=O)C2)c1 762944931 CWXBAFZNUUGGQU-WSRQSJKRSA-N 436.538 1.554 30 10 IDEE N#C[C@@H](C(=O)CN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 766651575 QGKRJCOCHFBAKV-NRFANRHFSA-N 439.537 1.655 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CCc2nnnn2C)C1=O 771539604 QBCOBLDAOPGSDI-ZDUSSCGKSA-N 435.941 1.791 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(I)cn2)cc1C#N 773429208 JOFVLZQPWSZVRP-UHFFFAOYSA-N 436.209 1.821 30 10 IDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774195385 HXFHTQWPLJHOAT-QGZVFWFLSA-N 441.575 1.047 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)CCN1C1CC1 776040003 CQRLGTDXRXPHDS-ZDUSSCGKSA-N 429.374 1.498 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n1 782523824 GVXPXHUJYXPQSW-UHFFFAOYSA-N 428.861 1.833 30 10 IDEE Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 788077982 RTLNPXWDJOJIFO-UHFFFAOYSA-N 438.897 1.981 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)n1 789323922 CWAJPCXOWORVGT-UHFFFAOYSA-N 441.488 1.474 30 10 IDEE COc1cccc([C@]2(C)NC(=O)N(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)C2=O)c1 808330197 NIJOCVWDEMRCAJ-SFHVURJKSA-N 434.861 1.881 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4nccc(OC)n4)CC3)ccc2c1=O 918333229 ABPDBPOBXNJLLG-UHFFFAOYSA-N 438.513 1.632 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 1146248403 ZXISMNDHOZEMME-UHFFFAOYSA-N 429.498 1.721 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCCOC)cc1 1286298702 NUEYTINGSTXPRU-FXAWDEMLSA-N 446.573 1.849 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ncn(C)n2)c1 1286310949 IGZYROIWMCRKMH-KRWDZBQOSA-N 434.504 1.405 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1286387046 NCOKNDNGOXUMQT-AEFFLSMTSA-N 430.578 1.393 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1286391959 KCYKMNYZFXOCIY-FQEVSTJZSA-N 438.557 1.472 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1286397163 XXRYVAWVWGJBJX-RBUKOAKNSA-N 429.546 1.898 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1286430964 LMHGCCYGDGIAPC-MRXNPFEDSA-N 429.546 1.977 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1286469762 YVVMFSMTOPMIDN-NRFANRHFSA-N 433.940 1.663 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@@H]1C 1286539006 SVAPMKLEWRUIEE-NSHDSACASA-N 437.298 1.581 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286563976 WVTUZTMMMLAOAU-QAPCUYQASA-N 447.565 1.234 30 10 IDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1286677702 IEASCIGTHPOSKA-BHIYHBOVSA-N 444.561 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](COC)C1 1286778970 CEUPUJZQLRTOPY-MRXNPFEDSA-N 437.447 1.700 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1287010360 ITPORESNLVLZOK-CABCVRRESA-N 430.475 1.958 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)CCc3cccc(C#N)c3)CC2)cn1C 1288042074 FORLUBNSKWYPPT-UHFFFAOYSA-N 429.546 1.702 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(Cc3ccncc3)CC2)s1 1291777610 JONXZEVTCYWUKV-UHFFFAOYSA-N 434.587 1.931 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1295383495 CMGMFXADBYFORL-HOTGVXAUSA-N 428.961 1.787 30 10 IDEE CCOCCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1297598624 QTYQKCIEDUGJPM-CZIZESTLSA-N 431.541 1.086 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1297786761 AXHSTRMKVJSNCS-IBGZPJMESA-N 447.496 1.110 30 10 IDEE CN1C(=O)N[C@@H](C2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)CC2)C1=O 1298795450 BYZHTUIVAHMIFT-INIZCTEOSA-N 425.493 1.855 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 1300411539 SUSSMNTYZHDIML-APWZRJJASA-N 425.555 1.030 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc(C)s1 1300648596 HKKLBGOXBMYWMR-UHFFFAOYSA-N 426.506 1.414 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1300664476 RBISQJHBYIWJEU-UHFFFAOYSA-N 442.520 1.494 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC(=O)N(C)C 1300666198 YEMWNGQHFFFNMH-UHFFFAOYSA-N 427.505 1.671 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@H]2CO)CC1 1300703617 MTXHDKZFHIQVJM-QFIPXVFZSA-N 437.592 1.256 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@@H]1C 1300762296 HXRDUOSLAFKTPT-ULQDDVLXSA-N 441.623 1.602 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1301268424 KNGDVLDCSPNOJH-UHFFFAOYSA-N 426.502 1.999 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N3CCC(Nc4ccccc4C#N)CC3)CC2=O)cn1 1301625494 OHRVWPOSUPGEJR-GOSISDBHSA-N 436.516 1.857 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1301805189 FZXSYZVUPKXRKZ-UHFFFAOYSA-N 447.561 1.560 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1302210707 BTVIZKRFHVHISL-UHFFFAOYSA-N 438.532 1.976 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)OC)c1 1303080384 UNLRAVZPLUVCFU-OAQYLSRUSA-N 432.473 1.641 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1306518047 YTQGAAQRSPEMQK-UHFFFAOYSA-N 439.520 1.799 30 10 IDEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1307041686 CSEJFTLICCFJNV-YLJYHZDGSA-N 438.573 1.744 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1312954403 UJCCWVBUHJDLAO-HNNXBMFYSA-N 428.555 1.065 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c1 1315561346 FENPMPGRLABAEM-WMLDXEAASA-N 425.493 1.406 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1c(C)noc1C 1316207240 UZAHXWYUWGKQEA-WMZOPIPTSA-N 429.525 1.832 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1358967444 KMXNXYBMRSWCJF-ZWKOTPCHSA-N 436.578 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1358985468 ZJANEFYNXLBZDB-ZCNNSNEGSA-N 448.637 1.719 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1359019953 NDCBEDBHDMNWPJ-UHFFFAOYSA-N 443.533 1.094 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359077725 JQDRTDLQWCKWFG-CXAGYDPISA-N 428.331 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359297485 SFBYHWBRAVVIQI-UHFFFAOYSA-N 437.548 1.871 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1360112310 CFBHVVLZOWRLLI-KRWDZBQOSA-N 425.537 1.736 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H](C#N)C3CCCC3)ccc2F)CC1 1438858626 HFTYYFICASMHSP-GOSISDBHSA-N 436.509 1.491 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)CCS2(=O)=O 1439954777 WEOXXWXCTWELGR-GNZRSQJKSA-N 436.555 1.807 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1460855191 CASPDVNBQKKYEI-HYBUGGRVSA-N 447.495 1.820 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)cc1 1468732880 BIBZGXAOJGCGGW-WOJBJXKFSA-N 426.494 1.627 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1469336327 WLHYBLMLFKLGHA-QGPMSJSTSA-N 428.514 1.935 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1nc(C#N)cs1 1472147077 WRGWSJJVJKUTJP-OAHLLOKOSA-N 436.515 1.361 30 10 IDEE CC1=CCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1492619233 NSEKEPQDTDMJKW-MRCUWXFGSA-N 436.520 1.823 30 10 IDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1502526096 GJMZUEWSPZATFU-QZTJIDSGSA-N 437.504 1.810 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1CCNS(C)(=O)=O 1507520359 BZHGXCLFYJVOAP-NSHDSACASA-N 444.330 1.854 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1507688858 FBJOYWMQEFQCPG-ZDUSSCGKSA-N 441.355 1.299 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCNC(C)=O 1507704362 YVULIVJLZFCMSK-UHFFFAOYSA-N 437.342 1.658 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2oc(CCC)nc2C)CC1 1507731810 PPUAJCSZKDZQHJ-KRWDZBQOSA-N 446.577 1.233 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1507772393 JWRLVIOFIRPCTJ-WOCWXWTJSA-N 439.557 1.741 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(OC)cc1 1508072991 UQXDHYBYDCTECR-UHFFFAOYSA-N 435.488 1.873 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](OC)C1 1508144250 OMVCQFBNXMTCPE-QGZVFWFLSA-N 430.534 1.343 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508146271 WGBDXAFBQCRGDO-INIZCTEOSA-N 439.582 1.078 30 10 IDEE C=CCSCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1508167281 HFFVIUPASBPAKR-OAQYLSRUSA-N 446.577 1.506 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1515282977 CUYXACDVRKLAME-UHFFFAOYSA-N 430.534 1.308 30 10 IDEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N(C)CCNS(C)(=O)=O 1539497201 ICWSQSPFVZWUPK-UHFFFAOYSA-N 427.983 1.950 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COCCOC)C1 1539612994 SCDCFSRLGSHJRA-UFYCRDLUSA-N 447.580 1.985 30 10 IDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCN(C(C)=O)CC2)CC1 1539855307 RYYSJSMZDVZHPT-UHFFFAOYSA-N 429.594 1.954 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1540186906 IDVKJWVJDOFRGL-MRXNPFEDSA-N 431.522 1.300 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 1540896687 RJHKFHXGTUFVFC-MRXNPFEDSA-N 430.900 1.864 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCCO 1541184176 IMSSLMAKMKPANR-UHFFFAOYSA-N 427.553 1.859 30 10 IDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)COCCO1 1542020199 NJCKDAULVAOCEO-HXUWFJFHSA-N 431.518 1.103 30 10 IDEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1542348372 DWGCKWNZEOJMLJ-KBPBESRZSA-N 425.482 1.126 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H](C)O1 1545060249 NGKAGQOWROUILT-CPLUKWAASA-N 427.505 1.882 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1545740574 AFMVXJJBWNFLIO-JRGCBEDISA-N 447.536 1.812 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1546841018 ABEFRFMJKPQFTE-QFIPXVFZSA-N 433.520 1.879 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1547725574 HYJRZTJEMYFCBF-CVDCTZTESA-N 444.628 1.820 30 10 IDEE C=CCOC[C@@H](NC(=O)CCNC(=O)c1cc(F)ccc1Br)C(=O)OC 1556375591 NJGGRMAXPZQXMX-CQSZACIVSA-N 431.258 1.569 30 10 IDEE Cc1ccc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1B1OC(C)(C)C(C)(C)O1 1556532380 TXVYTKBPULBRBS-UHFFFAOYSA-N 427.310 1.545 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cc1ccccc1F 1558385889 PWMCVEMOUROEOQ-LPHOPBHVSA-N 447.532 1.999 30 10 IDEE C=CCCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1558957613 NJDDERVQOCAYOV-HNNXBMFYSA-N 443.591 1.596 30 10 IDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1nnc2n1CCNC2=O 1565278449 VZAAOUTUTLMSSJ-UHFFFAOYSA-N 437.273 1.821 30 10 IDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1568508136 KDUCPPCELAWIFB-QZTJIDSGSA-N 430.505 1.705 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 1568994847 FUBVUPBDJALILK-OTIVFRFGSA-N 438.484 1.095 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)nn1 1586901213 TXXNOEYNNLDKDM-DGCLKSJQSA-N 431.415 1.458 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1588064515 JPJDTNKEHSFKKD-IBGZPJMESA-N 445.589 1.953 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1588083245 CSFGJXLVVZVBQE-HZPDHXFCSA-N 433.509 1.568 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1588219031 IYSFCQAMAOQNEQ-OAQYLSRUSA-N 443.555 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1588228858 MTHVWNPXWNWWSW-IBGZPJMESA-N 436.541 1.762 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCS(C)(=O)=O 1588293263 UDDVXFRZXXGULE-UHFFFAOYSA-N 434.518 1.237 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588733505 VUPXLOUSWIYHHE-MJGOQNOKSA-N 432.569 1.003 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C/C=C\c2ccccc2)CC1 1588923751 LGDXAQZGBYLYDK-NSDNCLLMSA-N 432.528 1.908 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1593887356 YTGUSBRFRDOHGK-LSDHHAIUSA-N 429.974 1.674 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1594713685 JSRGLMLTXIZWCQ-HXUWFJFHSA-N 431.566 1.906 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1595302731 DAOXEIVSWIJXMH-HNNXBMFYSA-N 437.570 1.214 30 10 IDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595335098 MYZJEKSTZJESRP-MRXNPFEDSA-N 425.449 1.806 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1595569356 FUYXURRBVCGBHH-QGZVFWFLSA-N 427.505 1.373 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1595866638 SBVDINMWXDDSAA-KRWDZBQOSA-N 431.566 1.425 30 10 IDEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1596235690 ZZIQAVPJYIBIDZ-LJQANCHMSA-N 433.530 1.973 30 10 IDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)cc1 1596392115 DKVOXLPFXXIHCG-UHFFFAOYSA-N 446.550 1.527 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cncc(C#N)c1 1596856085 NTUKGGGYLNCMCW-KRWDZBQOSA-N 434.905 1.456 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1610904785 VYKRSTOVDUBOBH-IIBYNOLFSA-N 432.525 1.093 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2nccc(Br)c2C1 1611466674 HAYKUFDEWSGQSU-GFCCVEGCSA-N 449.330 1.967 30 10 IDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cc(CO)nn1 1612596755 FTVZJEAIQWFFKC-UHFFFAOYSA-N 425.472 1.098 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1614071375 KQXKLZZKVUWFDA-FQEVSTJZSA-N 437.548 1.644 30 10 IDEE CCN(CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1615447103 GOSXAJFMJCIULH-UHFFFAOYSA-N 425.537 1.787 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](C)[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1616196924 VMROOBXKZWDCMF-DKRZPYDCSA-N 444.536 1.691 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1cc[nH]n1 1618336259 OKFSWNDCLNCFEH-QFBILLFUSA-N 443.504 1.099 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@@H]1C 1618897626 XAOJOTGPQWYFDZ-HNNXBMFYSA-N 425.493 1.572 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(=O)NCC12COC2 1625083984 HSCKEVPRAIWMBQ-UHFFFAOYSA-N 438.278 1.216 30 10 IDEE C#CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCS(=O)(=O)C1 1626435036 RZGRKKXGWZRBGU-INIZCTEOSA-N 436.331 1.406 30 10 IDEE CC(C)[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)N(C)Cc1nnc2n1CCC2 1626682089 XAWUYABPQQJYNL-WUQYLLKWSA-N 427.480 1.745 30 10 IDEE C=C1CCC(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1628795470 MOXMNIUFGUFGAZ-UHFFFAOYSA-N 427.567 1.826 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCCNC3=O)CC2)s1 1631095068 NIPIAYLXQBKZJR-UHFFFAOYSA-N 426.564 1.161 30 10 IDEE CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636257597 MYQOWCIVJAJWAI-XAPVIXHLSA-N 446.573 1.103 30 10 IDEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)CC1 1639075955 ZQUFOENLECUWGR-UHFFFAOYSA-N 442.541 1.396 30 10 IDEE CCOC(=O)[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@@H](O)c1ccc(Cl)cc1 1641013733 QRHGTBADSLBJIU-MNSPPERESA-N 435.864 1.338 30 10 IDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O 1641148193 DBHHNHGGSRAKNB-UHFFFAOYSA-N 439.491 1.040 30 10 IDEE CNC(=O)COc1cccc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1641858131 QJLYXPXJCQDYMI-UHFFFAOYSA-N 425.441 1.258 30 10 IDEE COC(=O)CC1(NCCC(=O)Nc2ccc(C#N)c(Cl)c2)CCS(=O)(=O)CC1 1642785567 AMQFUEAVCSIPAR-UHFFFAOYSA-N 427.910 1.640 30 10 IDEE COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1642786536 URQRPNVSYMZLDD-HNNXBMFYSA-N 434.440 1.223 30 10 IDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1642903176 CHZVHDIJXUNTTN-MRXNPFEDSA-N 428.555 1.407 30 10 IDEE Cc1nc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)ccc1C#N 1643334704 DJMZIAYMFCOBRU-NXHRZFHOSA-N 441.488 1.916 30 10 IDEE COC(=O)[C@H](Cc1ccccc1)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1643596270 HRHKNFJPDMGGRP-VXKWHMMOSA-N 438.503 1.908 30 10 IDEE Cn1cnnc1[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1643830283 ICYNSXAZVZXXSH-OAHLLOKOSA-N 430.534 1.430 30 10 IDEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1651052529 QJWASSFJCDVRQS-INIZCTEOSA-N 440.518 1.530 30 10 IDEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(CC)CC)C1 1657712340 UDRJHTBDFMALDC-UHFFFAOYSA-N 434.562 1.919 30 10 IDEE N#Cc1cccc2c1CCCN2CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1659288497 NZQUKJWZUUMRMX-UHFFFAOYSA-N 442.516 1.983 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)n(C2CCCCC2)c1C 1660260350 NKARUFAIVZNGCX-SFHVURJKSA-N 436.578 1.902 30 10 IDEE CN1CCN(c2ccc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2)CC1 1671495497 RYGPTDOBDNDQIQ-AZUAARDMSA-N 442.564 1.997 30 10 IDEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1676627676 ZGUTZNCNHLKAPK-NCYVPVAZSA-N 436.505 1.870 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1681598012 LTJNRNBRYVZQOS-UHFFFAOYSA-N 434.606 1.891 30 10 IDEE COc1ccc(CN2CC[C@H]2CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1684150847 NZUHLCPSVSJMNR-HKUYNNGSSA-N 435.532 1.851 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1689828826 RSIISZBRLRNOAH-IHRRRGAJSA-N 436.504 1.230 30 10 IDEE C#CCN(c1nnc(COc2ccccc2CC)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1689997136 WMCNHNWESRUXLV-SFHVURJKSA-N 444.557 1.571 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1690015515 OZJDOGIYINPHMV-OXJNMPFZSA-N 431.418 1.752 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](OC)[C@@H](C)CC)CC1 1690122527 UQEIOCSKOXHDJY-LPHOPBHVSA-N 428.537 1.822 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 1690170634 OGVOXFMQZLSUFO-CQSZACIVSA-N 430.500 1.670 30 10 IDEE C#CCSCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1690185784 GYZHRDBRBVSSJS-KNQAVFIVSA-N 449.621 1.455 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(N3CCOCC3)CC2)CCOC1 1692585811 MVNKSKQYEZDZIJ-GCJKJVERSA-N 432.569 1.922 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)N(C)C 1692720827 FYCAZRPDRONTCY-INIZCTEOSA-N 425.537 1.771 30 10 IDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1693854571 GTFYZSKIOBXDHR-OAHLLOKOSA-N 433.472 1.496 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CCO1 1696962540 KOROZSFATBGVKG-LJQANCHMSA-N 446.515 1.665 30 10 IDEE COC[C@H](F)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1697789313 WJMBCIXILIKLTO-WCVJEAGWSA-N 438.504 1.762 30 10 IDEE COCCN1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CC1=O 1698077515 BVPUBMNDSYNHIF-GOSISDBHSA-N 443.552 1.025 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(N)=O)c2)CC1 1705647742 JLZJHQGNPIMDGV-UHFFFAOYSA-N 436.560 1.980 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN(C)C(C)C)CC1 1705649049 IJUHVMUEAGKPTB-UHFFFAOYSA-N 425.581 1.980 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705735637 BYQIFGYOWYWKIZ-SFHVURJKSA-N 426.521 1.818 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1706038496 FAQJSZYTKBGNOF-CVEARBPZSA-N 446.533 1.046 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1706632774 IUDUOXRYMVTPMJ-UHFFFAOYSA-N 445.531 1.848 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(N(C)C)CCSC1 1710697752 JYQYCKBZRMACFK-NRFANRHFSA-N 443.577 1.787 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CN(CC(C)C)CCO1 1712567497 VCIWJAFPFCXBNK-CEXWTWQISA-N 436.557 1.088 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1712647708 HNWFJTSVSNKTEN-XQLPTFJDSA-N 433.431 1.698 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1722333360 VXFXLEHKBJGDRZ-GOSISDBHSA-N 435.525 1.800 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722378275 CJFGUEHKJBWKER-SFHVURJKSA-N 428.500 1.476 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1722395796 BSXZWWFAGNICRY-MRXNPFEDSA-N 443.504 1.421 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(S(C)(=O)=O)cc1 1722424085 ACTKSCWRLRNFJH-UHFFFAOYSA-N 425.514 1.878 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1722429991 YFFCLVSNOAYOFZ-HNNXBMFYSA-N 438.579 1.059 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722453532 WMMKSOZOWQVTPT-LJQANCHMSA-N 446.621 1.429 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1722475658 WRISOBDNPJQMES-FUHIMQAGSA-N 437.566 1.172 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1722501688 GSNDLMXTGWESMG-MAUKXSAKSA-N 449.602 1.820 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCCc2ccccc2)C1 1722711300 BXRGLJUBMHLJDJ-HXUWFJFHSA-N 435.532 1.819 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C#N 1722729203 YBVSWVPMUAJTIP-CRAIPNDOSA-N 431.518 1.987 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1723910837 GEWKNGPQGHAZFS-QWHCGFSZSA-N 442.492 1.984 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1724018259 PZGZWBTYXXCIRT-HZPDHXFCSA-N 434.566 1.225 30 10 IDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1726528800 HXWOSHGEHOVPMC-FQELHTAISA-N 429.546 1.991 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1740575533 TUUKFMJBSROBIA-QGZVFWFLSA-N 434.566 1.545 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CSC)cc1 1740631087 PCRAWBBTAQFKIR-INIZCTEOSA-N 431.587 1.872 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1740684229 LLUKVQUAFLMDPX-MRXNPFEDSA-N 434.541 1.572 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740685574 OFFFOEIYIFSYJR-IRXDYDNUSA-N 445.486 1.521 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740843196 ASFUFGXGXVSXCA-HRCADAONSA-N 438.598 1.738 30 10 IDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1)C1CC1 1740912398 BYUBDNXDLMIYCS-UHFFFAOYSA-N 444.561 1.673 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740954621 PUABERSLYDUDRQ-CQSZACIVSA-N 447.337 1.630 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CC1 1741190933 QDAUZCQRNHOIRP-UHFFFAOYSA-N 444.561 1.979 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C2CC2)C1 1741233650 YUPNVQSFEJPOSL-PUXBEBEGSA-N 446.552 1.939 30 10 IDEE Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)C2)n1 1742672616 TYXAJWRTSVNHKV-MRXNPFEDSA-N 437.508 1.979 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1743254102 HEEYTAPTTHMNNC-SBUREZEXSA-N 438.532 1.973 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1748748151 SYEUPWYMKXUKJA-HZPDHXFCSA-N 425.489 1.713 30 10 IDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCS(C)(=O)=O 1748750802 PHUYLLGJBUEFSW-UHFFFAOYSA-N 445.593 1.736 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)N(CC)CC)cc1 1748772441 OHUTYKOIKDKIMQ-MRXNPFEDSA-N 446.577 1.488 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1748791666 ZLBUKBOZCWABAI-AWEZNQCLSA-N 443.982 1.638 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC(OC)CC1 1748824461 CARNPMOUNGIASK-UHFFFAOYSA-N 449.559 1.888 30 10 IDEE COc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(C#N)o2)c1 1748896941 FRIWRHLJCHRRSD-UHFFFAOYSA-N 436.472 1.762 30 10 IDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C(N)=O)nc2)CC1 1749312716 RZNNMYZPCPBAIW-UHFFFAOYSA-N 437.529 1.968 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749630670 XJUGMRQNCBWEBS-MRXNPFEDSA-N 434.541 1.530 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749652606 QDXPOISXWPDWOU-XGHQBKJUSA-N 437.541 1.079 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2nccs2)C1 1749697676 MFMDQYGEOBVCTM-RBSFLKMASA-N 440.595 1.930 30 10 IDEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749761755 GHUFXBDNCBRFRZ-UHFFFAOYSA-N 446.621 1.857 30 10 IDEE Cc1cccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1751415501 YDWWTLHRRJKYNQ-MBOBHEEDSA-N 449.515 1.700 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(O)CCS(=O)(=O)CC1 1760107822 SQBYECIOZQKPHS-INIZCTEOSA-N 439.541 1.891 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760277472 LUIRFKQLOTYYJG-UHFFFAOYSA-N 446.540 1.770 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760334419 JZGGEIHGMFWBNZ-WMZOPIPTSA-N 434.566 1.726 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1760434689 JNVKVBKVZNUWCW-UHFFFAOYSA-N 442.549 1.900 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760445907 ZEGYWBHKTUUWME-OAQYLSRUSA-N 441.492 1.549 30 10 IDEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1760494153 IZDCNXHGQPDNAL-UHFFFAOYSA-N 425.518 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(O)c1 1760553604 FPPAJFWXCZVFII-OAHLLOKOSA-N 449.533 1.181 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760678120 SHGOHLLBKFRXMP-GOSISDBHSA-N 436.476 1.612 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1Cc1ccc(C#N)o1 1761495559 WIBWFYBWOYLMRD-VXGBXAGGSA-N 428.465 1.883 30 10 IDEE Cc1c(Cl)cccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1761642287 GHDQSBWHZYDCIA-UKRRQHHQSA-N 438.941 1.627 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1763038033 BAJUJPCNQYUZOY-MRXNPFEDSA-N 439.520 1.264 30 10 IDEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 1770235269 GDLUAOVHCGALQF-INIZCTEOSA-N 447.499 1.848 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccn2)nnc1N1CCSCC1 1770832990 KRMHOHDBKYGLNG-HNENSFHCSA-N 425.518 1.344 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1771079991 AIXPJYGGIMPORY-UHFFFAOYSA-N 449.563 1.455 30 10 IDEE C#CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)CC1 1851100222 YKKQEWVRGZBQRK-OAHLLOKOSA-N 429.995 1.970 30 10 IDEE CC(C)(CN1CCN(S(=O)(=O)NCC(F)(F)F)CC1)C(=O)Nc1ccc(C#N)cc1 1853070505 TVMWGLNTCZVQDM-UHFFFAOYSA-N 447.483 1.537 30 10 IDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)CC1=O 1853872589 RBGJYTVXNTUGLQ-OAHLLOKOSA-N 425.457 1.795 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C(=O)C1 1853947911 GQHZKHUHHAZYJE-UHFFFAOYSA-N 438.387 1.645 30 10 IDEE CC(C)N(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1856648821 OJVAGDPTHHGBFT-VQTJNVASSA-N 431.558 1.763 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2OC)CC1 1869930356 YGKKCPBMMKLYDQ-KRWDZBQOSA-N 442.541 1.861 30 10 IDEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870144045 LUPXYTUQBKEQEF-UHFFFAOYSA-N 426.396 1.640 30 10 IDEE N#Cc1ccc(CN2CCC(NC(=O)CN3C(=O)c4ccc(C(=O)O)cc4C3=O)CC2)cc1 1873723978 BPAVWZMUDNKIRD-UHFFFAOYSA-N 446.463 1.633 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 1889621315 VBYIJTNLUSAKDJ-UHFFFAOYSA-N 437.581 1.777 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1889621438 XYUDAOFHRKBMHF-UHFFFAOYSA-N 430.574 1.369 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)cs1 1890094050 RUISAKYPURLWSP-UHFFFAOYSA-N 438.517 1.335 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2064341351 GYNSETDUKHPKKD-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(C#CCCO)cn1 2158594065 DGNZIOHOLWENRQ-UHFFFAOYSA-N 427.482 1.634 30 10 IDEE Cc1csc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247832854 WQXUTYWCBADBOY-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2248401893 PHCUPUOQSMNQQF-OAHLLOKOSA-N 440.371 1.891 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(COCc3ccccc3)C2)n1 2255609065 RDBOTNCXVRZKCP-UHFFFAOYSA-N 426.326 1.840 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255652323 SIFMEOIFJCBGDY-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C)CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256063852 PSWGUDSORABGDK-OAQYLSRUSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256654826 VDIFGQPIJJTUCQ-HNNXBMFYSA-N 435.330 1.984 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1CNC(=O)OC(C)(C)C 2267182402 GEMZUCOIUCQRIP-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE Cn1cc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267185143 ZUMNTCWQMYHQBB-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1C(=O)OC(C)(C)C 2267221418 VITOSCJYVXXXMV-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)n1 2267543972 NIUIETGXNUCOBT-KGLIPLIRSA-N 449.361 1.680 30 10 IDEE CC(C)(C)OC(=O)NCc1nnc(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)o1 2267883027 ZPWJFRKDNHESQY-UHFFFAOYSA-N 446.273 1.436 30 10 IDEE C=C[C@@]1(C)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270533314 CVBPRCOIUBTICM-APWZRJJASA-N 426.491 1.061 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)CC1 2270596577 CKQKPRFRAKCHCK-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2301725168 LOISKGWWNNEGHA-GFCCVEGCSA-N 441.359 1.712 30 10 IDEE CCN(CC)C(=O)CN1C(=O)/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccccc21 59156052 JAIATQQJXGTHRI-XDOYNYLZSA-N 428.514 1.893 30 10 IDEE CCOC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(=O)OCC 59449570 UBFWOUOHZMHDLX-UHFFFAOYSA-N 449.489 1.788 30 10 IDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 111047695 XABQFVDSALFERQ-IBGZPJMESA-N 439.537 1.677 30 10 IDEE N#CCCn1cc(/C=C\C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc21 213248338 ZKTOQUOGRIUTHH-LIXSYLKWSA-N 426.542 1.899 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1C(F)(F)F 409535155 HBYPEZOYUQMZAY-ZDUSSCGKSA-N 431.436 1.837 30 10 IDEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O 442270298 ZWSKFHHFMHYAJW-FQEVSTJZSA-N 436.468 1.697 30 10 IDEE C=CCOc1ccccc1CN(C(=O)CN1C[C@H](O)C[C@H]1CO)c1ccc2c(c1)OCO2 462338884 HEMHHTBMBIOBAF-VQTJNVASSA-N 440.496 1.941 30 10 IDEE C[C@@H](C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)n1cnc(C#N)n1 466944569 XAFGSHXPNHFCGL-ZDUSSCGKSA-N 435.410 1.512 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@@H]1CCCO1 470448958 WLXQBZXNOIUORC-AWEZNQCLSA-N 449.935 1.911 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C[C@H]1CCCO1 480941579 YHDSXGZSWCFQCC-GOEBONIOSA-N 430.526 1.946 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](c2ccccc2)C1 508496416 DKBKZRIRQVNRPH-MSOLQXFVSA-N 433.534 1.375 30 10 IDEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508788067 BDMSUUKKWYJEFL-UHFFFAOYSA-N 434.548 1.917 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1C[C@@H]2CC[C@H](C1)O2 508842698 ZAEXLFNTLSZGEX-HDICACEKSA-N 445.545 1.520 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508929489 HUDRQCKLGCKKKP-HNNXBMFYSA-N 435.492 1.509 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1c[nH]cc(Br)c1=O 535564086 MKQPNIYTWRTASM-VIFPVBQESA-N 425.264 1.315 30 10 IDEE CCOC(=O)c1c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c(C#N)cn1CCOC 537436154 UTNWUOUINLMLFV-UHFFFAOYSA-N 437.456 1.611 30 10 IDEE CN1CCCC[C@H]1CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540548700 GBXYLOMTZXARJK-SFTDATJTSA-N 444.649 1.559 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 541820745 JRIKFCGGERNJPG-UHFFFAOYSA-N 437.525 1.690 30 10 IDEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@H]1C(=O)NCCn1cnc(C#N)n1 553165988 ICFHKFQHUKLSEA-HNNXBMFYSA-N 448.936 1.678 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@H]1CCN[C@@H](C(=O)/C=C/c2ccc([N+](=O)[O-])s2)C1 585828412 TZINLOBDXRRKCC-FJVHFBRSSA-N 442.497 1.905 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 603557452 GQVAMHOJHOMDNT-AWEZNQCLSA-N 435.527 1.724 30 10 IDEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cn1 610869708 ZMXUOCBGQKQDEN-UHFFFAOYSA-N 441.444 1.541 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)cc1Cl 727417393 KAQUEEGZIMNTLM-UHFFFAOYSA-N 441.896 1.936 30 10 IDEE COc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 730250732 BMLIHJSHKVSNHR-UHFFFAOYSA-N 434.433 1.851 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1NC(=O)c1ccccn1 732670693 UMEJQANUFOMUIU-INIZCTEOSA-N 441.513 1.703 30 10 IDEE COc1cccc(/C=C(\C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)n2nnnc2C)c1 734291145 HMGKCYKPURXJGK-VCHYOVAHSA-N 438.469 1.673 30 10 IDEE N#Cc1cccnc1N1CCN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CC1 735496097 KKMOURPDLROCFH-UHFFFAOYSA-N 441.513 1.426 30 10 IDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)[C@@H](O)C1CCOCC1)CCCC2 740972095 LGUHNWLBRQJEBV-IERDGZPVSA-N 445.516 1.687 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 758062257 QNLUOJBOVFXHAG-UHFFFAOYSA-N 427.869 1.977 30 10 IDEE C#CCN(C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774163219 DSWHLFULXJJYOR-LPHOPBHVSA-N 439.965 1.545 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCO1 775326517 FXJYWDGXGMPCHY-GVDBMIGSSA-N 441.347 1.899 30 10 IDEE Cc1nc([C@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)sc1C(=O)O 779442995 DSNGZJKXOAZBIL-NSHDSACASA-N 436.515 1.846 30 10 IDEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 780029414 GKXNDNRSJIJUPT-UHFFFAOYSA-N 431.898 1.968 30 10 IDEE O=S(=O)(c1ccccc1NN=Cc1cnnn1Cc1ccccc1)N1CCOCC1 793027580 QMVAZSFFUYHXAV-UHFFFAOYSA-N 426.502 1.793 30 10 IDEE C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC(=O)N1C 800527249 MWLAZPRCBKGSGT-YUCJCZDXSA-N 435.550 1.974 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 804708859 FRFKZPAWIDFHQA-HNNXBMFYSA-N 430.509 1.245 30 10 IDEE N#Cc1ccc(NCCNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)nc1 804948211 NMSXJVYDBSSFRO-UHFFFAOYSA-N 434.421 1.637 30 10 IDEE N#Cc1ccncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 805717849 ZJOZMEZZDBZHHO-QPEQYQDCSA-N 440.481 1.255 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 811471862 LXQMZEYITMGDCX-UHFFFAOYSA-N 446.573 1.703 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)n1 813750686 CFPLEUBISDWHLC-OALUTQOASA-N 437.504 1.886 30 10 IDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)n1 856700696 STJMCFORGWMSPT-QFIPXVFZSA-N 437.504 1.692 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 915874072 ZSMWHQIHTZPIBV-LYBHJNIJSA-N 439.497 1.848 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cn1 1084229815 ZDEVLTRXXDUKFQ-UHFFFAOYSA-N 429.510 1.320 30 10 IDEE COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1=O 1160604538 KFRVBOJVGMOXFE-FQEVSTJZSA-N 437.544 1.875 30 10 IDEE C#CCNC(=O)CN1CCCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 1162438240 UVHBDURCQGXNFH-UHFFFAOYSA-N 448.369 1.605 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cn1 1192327916 RJNYLHZBLKURRE-UHFFFAOYSA-N 436.559 1.478 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286393542 LKWDGMGLJJHDQJ-HCXYKTFWSA-N 436.578 1.471 30 10 IDEE C#CCN(c1nnc(CC)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286393921 MAXFGZQAOGDBNZ-LJQANCHMSA-N 433.553 1.738 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1286409556 NSYVWJJAYUNHDO-SFHVURJKSA-N 436.541 1.693 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1286466950 OTNUPTDNCNOMQE-UHFFFAOYSA-N 428.500 1.979 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2CC2(O)CCOCC2)n1 1286470914 FLUCHOVVYHLHPL-UHFFFAOYSA-N 439.520 1.297 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ncccc2N(C)C)CC1 1286470974 DYPVFUUAMQJZFR-SFHVURJKSA-N 427.553 1.267 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)CC1 1286472439 SZTTYVBBVIYPIQ-QGZVFWFLSA-N 448.568 1.415 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncc(CC)s2)CC1 1286481411 VJQIFZGXWHEOKZ-HNNXBMFYSA-N 434.591 1.003 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCN2CC)CC1 1286489736 ALLGNGVOKPYKIL-IBGZPJMESA-N 436.564 1.575 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)nc2)CC1 1286490376 SFWQBSVYQDUEBZ-UHFFFAOYSA-N 447.547 1.154 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286608607 SFOVRMJIDCKGFW-KGLIPLIRSA-N 438.472 1.540 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 1286687971 OGHAHWKALYPGET-QZTJIDSGSA-N 441.598 1.973 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccccc2F)C1 1286798713 NKUHAXVIKWEAIR-INIZCTEOSA-N 444.511 1.767 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286950093 BOTAHYKDAJAVIH-LJQANCHMSA-N 444.561 1.746 30 10 IDEE Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cs1 1289395266 MSYPIHIOUQMNGB-CJNGLKHVSA-N 438.579 1.768 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1291359988 OIEIXYXTWCFFLI-VGSWGCGISA-N 443.552 1.756 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1)c1cc[nH]n1 1291846681 KOYTYGMSHSFBPT-LJQANCHMSA-N 443.504 1.192 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1299277565 DWDBZXFEFYYNQU-UHFFFAOYSA-N 438.536 1.000 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1300402753 BSVHZKZDDVRPKS-HNNXBMFYSA-N 427.534 1.937 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1300496884 VUAUXWNSCPIDEK-OALUTQOASA-N 446.577 1.312 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)CCOC)CC1 1300690412 ACUMDDBJBJTOQB-HSZRJFAPSA-N 443.548 1.505 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@@H]1CCCCO1 1301297396 PUJFRFAVKGRBSX-DLBZAZTESA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)c1nccs1 1301499651 CXVXICQJPJQUKE-UONOGXRCSA-N 438.579 1.179 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)C(C)(C)C)C1 1301566066 JPLDTEIFKUEOLN-INIZCTEOSA-N 439.582 1.395 30 10 IDEE CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1301768190 TVZCOTDBXQGEEX-OXJNMPFZSA-N 425.537 1.903 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1301816611 UXVDLDJNCWSENJ-JTSKRJEESA-N 442.520 1.937 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CCO1 1301897909 ADTBTZSOHRXVRZ-HXUWFJFHSA-N 434.504 1.363 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1302334514 GYZPWQSYSTYTLI-BRWVUGGUSA-N 446.552 1.208 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)ccc1F 1303638513 KVJKDDZGJOOZKO-JIPZTSHUSA-N 448.520 1.678 30 10 IDEE CCCC(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1306513053 SSOBXBHIASXYQG-QGZVFWFLSA-N 425.493 1.627 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1314805862 RYFYOAIVNWZGDX-YGKKUGEXSA-N 430.509 1.661 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1(C)C 1315715654 GHTWMVBRXUYHDY-IRXDYDNUSA-N 437.504 1.666 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccs1 1316209601 LFNAVMGOMCQKRI-HUUCEWRRSA-N 434.522 1.222 30 10 IDEE CSCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1316462105 WWSFGWKKEKYTQM-GJZGRUSLSA-N 430.600 1.350 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCC[C@H]2CO)CCO1 1316537713 DWKNTPZWPILDSI-ZWKOTPCHSA-N 445.955 1.959 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccn(Cc2ccccc2)n1 1358939018 OFQHZORFUJGELQ-INIZCTEOSA-N 427.534 1.251 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)nc1 1358949156 UGRWVAIPEHIPMA-IBGZPJMESA-N 442.589 1.929 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1359028122 HYYSJWBUYAGWHI-GOSISDBHSA-N 447.584 1.332 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359058773 PDOHCXPQLHSIMB-IBGZPJMESA-N 426.590 1.789 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359059140 BQJDRBGBLDSUEW-UHFFFAOYSA-N 448.618 1.491 30 10 IDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1)c1ccccc1 1359138670 AFYMIBRFDRKZIN-RBUKOAKNSA-N 432.546 1.745 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CN(C)C1=O 1359279814 UCVZRXHBMBYQMI-NRFANRHFSA-N 437.508 1.038 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359301907 PAGNLNQRNBBDAB-WZONZLPQSA-N 425.533 1.864 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cncc2nc(C(F)(F)F)n(C)c12 1435553580 UWOQBNBJOJLNOF-LLVKDONJSA-N 430.394 2.000 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OCC 1454708126 CMCAYVJJIYPTNI-ZIAGYGMSSA-N 430.288 1.504 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)CC1 1455096195 CRMDXOKFYWDARY-UHFFFAOYSA-N 447.557 1.869 30 10 IDEE C#CCN(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1464656494 PIIHBOVNFKSLGN-UHFFFAOYSA-N 438.502 1.170 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1470610955 QNTLTLLQGLKXPL-JOCHJYFZSA-N 439.560 1.674 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc3c(cc2OC)CCCNC3=O)c1 1474855794 BFJXQFJWNBBBLG-UHFFFAOYSA-N 427.482 1.270 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1503732058 GJRFUEUOZFTKOK-JOCHJYFZSA-N 449.519 1.373 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1504887402 BXBDXHCDSQRATO-SJORKVTESA-N 425.555 1.711 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1507660004 KLLPCFQISNICAB-QGZVFWFLSA-N 448.593 1.190 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1507720333 JPXSCDOHGUTBAX-UHFFFAOYSA-N 427.574 1.840 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1)C1CC1 1507988863 WUEPENFWVCCLRK-OAHLLOKOSA-N 446.577 1.793 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)C(C)C 1508011022 JZFGXTXHHDYHDS-MOPGFXCFSA-N 429.569 1.758 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1508033971 RJCYBRGGDBMCNC-GOSISDBHSA-N 447.561 1.882 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1508075045 VMESHZCZCLRJOU-JOCHJYFZSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508094712 JQLDPOCNSRGOQR-UHFFFAOYSA-N 438.598 1.173 30 10 IDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)CC1=O 1515880580 NPDCUQQXBHZVDW-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCCCCO)cn1 1517376083 NOQJRFGEGDJWSA-UHFFFAOYSA-N 435.536 1.825 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOC[C@@H]3CC3CCOCC3)C2=O)cc1 1537360556 XFMSHBJNMVEHOC-PMACEKPBSA-N 440.500 1.807 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 1539125575 OLBJLJDKBSMUOM-AEFFLSMTSA-N 433.534 1.959 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1539221587 QFSVVMKNAXVHKQ-JKSUJKDBSA-N 429.502 1.312 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 1539278131 OKZSLLKKGIKXME-KRWDZBQOSA-N 431.489 1.754 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539416689 RWLCLBMGNJHUEX-IBGZPJMESA-N 432.546 1.461 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2C[C@@H](C)C[C@H](C)C2)CC1 1539446347 WZKKJEULEPDNPN-ACRUOGEOSA-N 441.624 1.743 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)O[C@H](C)C1 1539614553 AHBVDKJOFNXLDU-WKULXVSPSA-N 441.598 1.873 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540872821 BGPKGDBQICZBPO-OAQYLSRUSA-N 441.561 1.718 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](N2CCCC2)C1 1540874859 UJRVEIFYFLBTHL-LJQANCHMSA-N 426.569 1.507 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1540876635 XBEVUQOQMSODNN-WMLDXEAASA-N 448.549 1.277 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C1CCCCC1 1540905639 UUGFQNDMEMVHFY-MRXNPFEDSA-N 444.623 1.940 30 10 IDEE 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C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCn2ccnc2C)CC1 1722445904 DZNOOCXFEIBZMP-UHFFFAOYSA-N 432.532 1.901 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1722501685 GSNDLMXTGWESMG-CRAIPNDOSA-N 449.602 1.820 30 10 IDEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722536636 PYUSTWDWTQDLGN-NPPFBWRTSA-N 433.553 1.626 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722604182 VKXAUIVZRNEQEU-MOPGFXCFSA-N 448.593 1.947 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1722699567 WBRDQGRXICYLJS-SJORKVTESA-N 447.536 1.615 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2C)C1 1722710084 CYXOKTTYOZMBEA-LUKYLMHMSA-N 427.571 1.342 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1722729822 YBCQBBTYBRYQOX-QFIPXVFZSA-N 445.589 1.741 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1722732372 LBBMIOLZYCFUHF-IRXDYDNUSA-N 442.655 1.872 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1722874272 DYMDKWQNTQSFMH-KBPBESRZSA-N 428.522 1.251 30 10 IDEE CO[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1729881483 ZWLIVMGJLBFDHZ-LJQANCHMSA-N 433.520 1.999 30 10 IDEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1730568752 BSIJPTVINGCDIV-UHFFFAOYSA-N 432.550 1.619 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740619599 POEUBRUKSWNMGI-KRWDZBQOSA-N 447.517 1.641 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740623618 XVJBMGONGOTZMD-MRXNPFEDSA-N 430.534 1.057 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1OC 1740668995 IGVIKTXPVAFBBW-WMZOPIPTSA-N 446.577 1.749 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC(F)(F)C1(OC)CCOCC1 1740674112 UTVLQCOUGCDTLW-UHFFFAOYSA-N 425.480 1.691 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)N(C)C)CC1 1740693774 MDDZUIWXVXJWOG-UHFFFAOYSA-N 436.969 1.245 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CCC2)CC1 1740709862 MUBOAUCHEJFSOL-QGZVFWFLSA-N 449.577 1.063 30 10 IDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740885123 YOGJFIMRIIMYQD-UHFFFAOYSA-N 434.566 1.759 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1740959802 FEWAOIMWLDUHRM-OAHLLOKOSA-N 446.581 1.215 30 10 IDEE Cc1ccc(C(=O)NCCn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)cc1F 1742149977 ARSALLNAFOMNEB-QGZVFWFLSA-N 437.479 1.890 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1743173720 AHYFXXBYCMATIS-QRWLVFNGSA-N 431.518 1.125 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@@H]1CCOC1 1744751246 NCTYXZJYKNJATP-ICSRJNTNSA-N 438.532 1.975 30 10 IDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1748697809 OBYCTQKGUBFPKD-QGZVFWFLSA-N 443.552 1.473 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1(C)C 1748791198 QDDQXUCJGMUMOG-HUUCEWRRSA-N 427.596 1.212 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1748863775 GYOBICOYPIFWQR-HNNXBMFYSA-N 432.575 1.516 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1748864164 RVRARESXAYQADL-HNNXBMFYSA-N 435.500 1.872 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748896459 BFDPGIUBDLXLDS-LJQANCHMSA-N 446.477 1.990 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1749066411 JPJLQRVBPAWQNR-OGNFBWPZSA-N 439.557 1.741 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1749303729 OAKYBWVWWIFWJK-CVEARBPZSA-N 428.580 1.161 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749368072 AINBMMWCNOJCHI-CVEARBPZSA-N 436.582 1.339 30 10 IDEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749690295 VJOCQHVSWFCPCU-OAQYLSRUSA-N 448.527 1.828 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1749932330 DKZHRIZKPSECRI-HXUWFJFHSA-N 425.537 1.500 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(SC)CCN(C)CC1 1750008055 NFTHPXJMBGHOSI-DLBZAZTESA-N 438.598 1.558 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1750083701 GKIVGJZUQHVRKC-IBGZPJMESA-N 439.520 1.474 30 10 IDEE CO[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1OC 1750189905 BSECVOFQCPRTGP-XRJYFWPXSA-N 444.536 1.387 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1750212292 FDCXNBJHHRGXHV-AWEZNQCLSA-N 429.506 1.552 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)NC4CC4)C3)n2CCOCCCO)cc1 1750382964 MLNVGWKLMMQELM-IBGZPJMESA-N 439.520 1.256 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCS(C)(=O)=O)c1 1760129116 YIMQFSYEBCDUOQ-KRWDZBQOSA-N 445.545 1.273 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2OC)CC1 1760260110 LTFWVXGWBFOLJA-KRWDZBQOSA-N 428.924 1.695 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760346312 RTKXAVDYIGDUIL-OLZOCXBDSA-N 435.472 1.261 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760351041 AGKQHCPVOCQILX-VVLHAWIVSA-N 427.571 1.342 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1760419601 WYWIYHJTWBCJCZ-MRXNPFEDSA-N 433.582 1.949 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@H]2OC)C1 1760536130 CZKBBBPNCJSJLP-JYLXEMOASA-N 436.553 1.763 30 10 IDEE CCOCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1766278219 MCFHCWOXEMIHTQ-IBGZPJMESA-N 449.515 1.968 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1766943877 DAAUWFANVYOVET-UHFFFAOYSA-N 443.577 1.240 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1769585826 CFAAFIAEJVJBSC-UEXGIBASSA-N 440.548 1.921 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1770983660 CDWQNSVJXQHVHC-KLHJMIIUSA-N 429.477 1.307 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](COCC(=O)N3Cc3ccccc3)C2)cc1 1849676368 ZPETXMFLBWZWPY-PZJWPPBQSA-N 425.510 1.996 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)C1 1849825868 CIDXJZHODOJIJH-UHFFFAOYSA-N 431.408 1.195 30 10 IDEE C=CCOC(=O)N[C@H](C(=O)O[C@H]1CNOC1)c1ccccc1I 1850430396 FTOKJBFETYGKMA-GWCFXTLKSA-N 432.214 1.691 30 10 IDEE C[C@@H]1CC(=NC(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)NN1c1ccc(Cl)cn1 1852055720 ZNRSAVHDJYCZOL-KGLIPLIRSA-N 429.912 1.774 30 10 IDEE Cc1cc(C)n(CCC(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(=O)n1 1852633259 VAUOQEACKLBIGW-OAQYLSRUSA-N 440.500 1.445 30 10 IDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C(=O)C2)C1 1853667012 PGVIHDMOEKBPSB-LPHOPBHVSA-N 430.936 1.624 30 10 IDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1853744408 DEMDHJIMVLPOLA-WOJBJXKFSA-N 431.558 1.906 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2cccc(CC)c2)cc1 1858963700 SKKGVYTUITUDDC-UHFFFAOYSA-N 430.482 1.992 30 10 IDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N(CC)CCc3ccncc3)ncnc21 1873595294 WUPJTGKIXKMYGH-UHFFFAOYSA-N 438.532 1.820 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1O 1874433452 LODFQTDTJUMYBH-LSFURLLWSA-N 428.474 1.504 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2255644398 IVFNLCUTOIGKJZ-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1 2255694778 SZJYRVNSJNIYMN-JOCQHMNTSA-N 435.334 1.147 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255697009 BXSRWEHTLSEALV-CQSZACIVSA-N 432.330 1.905 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2255699295 WODARPMELOYJQR-GJZGRUSLSA-N 431.342 1.919 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCN1C(=O)OC(C)(C)C 2255821637 FSBYJZAXHBKUOT-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256612057 BMSOBWPLRWOXRX-AWEZNQCLSA-N 431.302 1.148 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267263131 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CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2334262404 NRLOTPINSVBUEU-XUWVNRHRSA-N 449.357 1.805 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334263849 PDYYXTKCYWQTBG-VNQPRFMTSA-N 446.357 1.847 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 2337303701 KNQVUIDQFOQHOZ-GOSISDBHSA-N 440.353 1.350 30 10 IDEE CC(=O)O[C@@H]1[C@H](COP(=O)(OCCC#N)OCCC#N)O[C@H]2COC(C)(C)O[C@@H]21 35636190 YDWCHPGRHWOJBO-JONQDZQNSA-N 432.366 1.822 30 10 IDEE in-vitro COc1ccc(OCc2ccc(/C=N/Nc3nc(SCC(=O)NCCO)n[nH]3)o2)cc1 59817971 ZJELIURBVJRGSX-UFFVCSGVSA-N 446.489 1.632 30 10 IDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H](C(=O)O)C3)C2=O)cc1 96573409 ICOZQOSDDYIBAW-IVZQSRNASA-N 429.473 1.732 30 10 IDEE CCN/C(=N\CCO)S[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 105615125 JCNCTWRHKJZBAP-GFCCVEGCSA-N 447.298 1.614 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 109894419 UDJMEWGJERUSJR-GOSISDBHSA-N 444.538 1.962 30 10 IDEE C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(C)=O)C[C@@]5(C)CN4[C@H]6[C@@]2(O)[C@H](O)[C@H]1[C@@H](OC(C)=O)[C@@H]73 263615909 FWYGVCOTAAEFJY-NBABUBRGSA-N 429.513 1.021 30 10 IDEE C[C@@H]1CN(C(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCN1CCO 427393927 DIUBKKQPLUMOCY-GOSISDBHSA-N 436.512 1.795 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 441414136 YOTUNVKBLXBFPR-SFHVURJKSA-N 431.461 1.621 30 10 IDEE CC(C)CN1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 448474534 WJQKCPCZSUWRTA-LJQANCHMSA-N 447.605 1.942 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)CC2)n1 463020461 MJJDTKPOJDUTMR-UHFFFAOYSA-N 440.529 1.525 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n(C)n1 470199965 IKDZRYPQWNDRRD-DOTOQJQBSA-N 430.534 1.052 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CCN3CCOCC3)c2=O)o1 471195090 GZFQKSXWGFPODR-INIZCTEOSA-N 443.569 1.516 30 10 IDEE N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 472442170 JAYQXFSMOWTCPI-VJBWXMMDSA-N 427.508 1.956 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)ccc1F 517923305 FDPGFSCWYMHZSU-KRWDZBQOSA-N 441.528 1.662 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(F)cc2F)c1=O 523305866 OXNJTNAVUZERGT-UHFFFAOYSA-N 426.448 1.783 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccccc1 527277646 YGKHYMNNNCVOSQ-SFHVURJKSA-N 431.517 1.852 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549320162 MAWSMPFBVHBCLW-FHWLQOOXSA-N 436.516 1.246 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 549327111 XCAREBUBTWEHGS-MOPGFXCFSA-N 426.521 1.291 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)c2cccc(Br)c2)cc1 574562945 JCUBBPPGUQNJJA-MRXNPFEDSA-N 438.303 1.449 30 10 IDEE N#Cc1ncn(CCNC(=O)NCc2ccccc2-c2ccc(Cn3cncn3)cc2)n1 582173240 RBQSIKQAHXOTSN-UHFFFAOYSA-N 427.472 1.956 30 10 IDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1[N+](=O)[O-] 582697339 FRCYIDICFWWTJA-UHFFFAOYSA-N 427.442 1.472 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)/C=C/c2cccc(F)c2)C1 585824775 ZCYQMPTWRUDKLW-UMURBWECSA-N 435.455 1.941 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1 589887645 BEZXELJVDIKIGC-UHFFFAOYSA-N 436.759 1.711 30 10 IDEE CCn1nc2c(cc1=O)CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)CC2 611429942 HYVDYPNPMKXBHN-NRFANRHFSA-N 438.507 1.169 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)C2)n(C)n1 618613963 KOMGUFLNXOAMFF-QGZVFWFLSA-N 438.536 1.966 30 10 IDEE CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 619840630 ZBMBDSPMMQGUOQ-QFBILLFUSA-N 440.570 1.168 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 669808697 XKCCUMOTIGXUFZ-KSZLIROESA-N 439.582 1.440 30 10 IDEE C#CCN(C(=O)CS(=O)(=O)Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 729333959 DMHGWNVYXSNVIX-HNNXBMFYSA-N 448.360 1.013 30 10 IDEE Cc1ccc(C)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730144303 ZGQQWKFBAPQNQE-SFHVURJKSA-N 445.589 1.581 30 10 IDEE C[C@@H](CS(C)(=O)=O)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 733201482 KUSNLCMKWKPTIO-HOCLYGCPSA-N 440.591 1.119 30 10 IDEE N#CCOc1ccc(Cl)cc1COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 735340101 CDTKIPSQMHFZDL-IUODEOHRSA-N 426.878 1.321 30 10 IDEE COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 735579197 BDYOVWSLRBBNLZ-QQMHEVNUSA-N 441.488 1.643 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)/C=C/c2ccccc2Br)CC1 735921290 FCIKWUKPIXZXRH-RIYZIHGNSA-N 440.363 1.507 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1 741972597 XOUDHNQTTSFRLY-SQEWALACSA-N 432.480 1.857 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 742176774 OBUPULRXLCEDFE-UHFFFAOYSA-N 438.506 1.292 30 10 IDEE COCCOc1cccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 742550790 JTAQKBBHHBDTTQ-HNNXBMFYSA-N 431.514 1.845 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)c(O)cn1C 750014031 SQSPVTDZDXQILR-OAHLLOKOSA-N 432.502 1.005 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@H](C)c1cccs1 751922364 DCMIRXWIWRKRJU-ZVZXGVJRSA-N 439.607 1.312 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)[C@H](C#N)C1 758646344 WMXBIXDPVANANM-CHWSQXEVSA-N 429.520 1.127 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(Br)cc1OC)c1cc[nH]n1 772593538 ZHRUDDXCQJDUBZ-UHFFFAOYSA-N 439.266 1.781 30 10 IDEE Cc1nn(-c2ccncc2)cc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 783847934 XJHRGCWLKAFXGO-UHFFFAOYSA-N 439.545 1.958 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cccc(Br)c1Cl 790195876 PHQQEIKUHXOXLE-YPKPFQOOSA-N 434.699 1.907 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790763280 WUKSLKOKHZXZES-HNNXBMFYSA-N 425.580 1.274 30 10 IDEE C#CCN(C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[C@@H]1CCS(=O)(=O)C1 793153147 FNNYKHLRTZFFGL-GUDVDZBRSA-N 441.509 1.227 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794578403 BNWUJIKSMSGNMK-MRXNPFEDSA-N 436.537 1.712 30 10 IDEE C#CCC(CC#C)C(=O)OCC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 803699198 VEIFJOZXLUKOFQ-ATVHPVEESA-N 425.466 1.440 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC)Cc2c(CO)cnc(C)c2O)ccc1F 1161767732 UBPNWDGIOVDGNY-UHFFFAOYSA-N 437.493 1.854 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C)[C@H]3CCC[C@H]3C#N)ccc2F)CC1 1171050631 GQNGGHMQQBUWQW-WMZOPIPTSA-N 436.509 1.443 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C(=O)N(CCC)CCC)c2)CC1 1175515360 YPNCCOYLZMUXKK-UHFFFAOYSA-N 434.562 1.174 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NCC2(OCCO)CCOCC2)cc1Br 1189550305 FQAUUXIOFXKLHI-UHFFFAOYSA-N 437.287 1.296 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@H]32)n(Cc2ccccc2)c1C 1197203061 QWUQORIRUUAJSD-UNMCSNQZSA-N 435.528 1.943 30 10 IDEE N#Cc1ccc([C@@H]2CN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CCO2)cc1 1198219671 RBGBNKDBOLWSJX-SFHVURJKSA-N 425.489 1.608 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2cccc(OCC#N)c2)C1=O 1253295445 MSTNNGWTECLFLG-HSZRJFAPSA-N 436.468 1.989 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(C)c1 1286432670 SPIRWVLFUYPIOQ-UHFFFAOYSA-N 432.528 1.602 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCN2CCCO)CC1 1286475914 KZODAQGHDHORFH-IBGZPJMESA-N 426.540 1.686 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 1286682964 GECVMIDBZNLTKR-MRXNPFEDSA-N 434.570 1.361 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286818908 SIHADRMPKJQCFK-KRWDZBQOSA-N 443.577 1.687 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C(C)C 1286820449 LQSWFTNNANFQTL-JKSUJKDBSA-N 430.596 1.406 30 10 IDEE C[C@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1291136975 HYZATGHIEZLIKN-LPHOPBHVSA-N 428.562 1.924 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C 1296145561 FKOFJVOTTJAXCR-YJBOKZPZSA-N 436.520 1.335 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2c(F)cccc2F)CC1 1299871010 DHIRFFXRANKQLK-AWEZNQCLSA-N 434.468 1.852 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)cc1 1300273479 QNWKKEUHOKYNMT-IAGOWNOFSA-N 446.577 1.231 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)C(C)C)c1 1300332784 OATOTHATNZZQAH-FDDCHVKYSA-N 438.532 1.692 30 10 IDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300416292 DCSPQUWNWCOOSX-UHFFFAOYSA-N 436.607 1.955 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC1(F)F 1300654340 WYNWKYXFDXEUSF-CABCVRRESA-N 433.525 1.800 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1300767581 AAISRQCUIQTDJK-FXAWDEMLSA-N 443.621 1.663 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1300882576 VSHZQPUAIMKXBL-YJBOKZPZSA-N 432.550 1.730 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS[C@@H](C)C1 1301497713 BFWJMLKEPGUIKW-ZDUSSCGKSA-N 425.518 1.838 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1301972183 SGLNINFOOGUUGG-HZPDHXFCSA-N 439.511 1.352 30 10 IDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 1302361685 FZIXEMNCRLLWOU-HSZRJFAPSA-N 433.516 1.384 30 10 IDEE CS(=O)(=O)C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1304195158 JOZWQYUSHLSDDG-HNNXBMFYSA-N 442.335 1.029 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1314511701 BVNHPRMMNKIYJR-ZYSHUDEJSA-N 447.561 1.616 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1316233910 KHMMOYKJKRTLAE-HXUWFJFHSA-N 438.532 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1358891782 MJLSAFCUJKZRKO-JDWNHOKZSA-N 439.582 1.813 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(=O)OC)CC1 1358952732 VWBKRGCUUCAOOC-UHFFFAOYSA-N 430.534 1.817 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358960645 IVJICBFEBBYHHQ-LAUBAEHRSA-N 429.546 1.436 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1358965115 OGBMFCOYZBUDOD-NQIIRXRSSA-N 429.546 1.460 30 10 IDEE C#CCSCCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1359061575 GQULTGPKSIAUJN-JOCHJYFZSA-N 449.621 1.991 30 10 IDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1359222503 KCEQHVRJSYYFNA-OAHLLOKOSA-N 429.587 1.875 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1359281094 OJXCRFQZTYJNGO-MRXNPFEDSA-N 428.555 1.098 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1359299176 XRASRLRYVSWPCH-ROUUACIJSA-N 446.552 1.086 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(COC)CC1 1359304233 QYLWWZSMLNCSOL-UHFFFAOYSA-N 430.534 1.355 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2c(C)cccc2C1 1359334407 DQFSXQVQPCWULJ-UHFFFAOYSA-N 443.573 1.872 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359462518 IHLTZQDQKDFYDU-XUVXKRRUSA-N 443.596 1.899 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)Cc1ccccc1 1360247517 ATLFGZCIUQOQAF-PKOBYXMFSA-N 425.537 1.666 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1360482818 LJWJSOBJLRXNLB-RHSMWYFYSA-N 425.493 1.131 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1360618331 CBODAWSGUYRKCG-HNNXBMFYSA-N 444.561 1.732 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1CCCS1(=O)=O 1442502111 LUNYLEZHMQJZME-GOSISDBHSA-N 448.545 1.544 30 10 IDEE CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1445034110 GDGAYCMNMCWICO-IAFNSTAXSA-N 444.454 1.942 30 10 IDEE CC(=O)N1CCC(N(Cc2cncs2)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1468616195 ZDGNYEJTZKKSGI-HNENSFHCSA-N 446.533 1.192 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1Cc2cccc(C#N)c2C1 1469689909 NNQVESGAPSCNIR-LJQANCHMSA-N 447.538 1.182 30 10 IDEE C=CCn1cc(CNC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)nn1 1470175695 NAYHNBDNCZSDOM-UHFFFAOYSA-N 439.564 1.635 30 10 IDEE C=CCC1(O)CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)CC1 1473810113 UNWRMKQTOLQXRI-UHFFFAOYSA-N 426.517 1.246 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1478375529 CVGGTSJLHSLWHC-POHZPAGDSA-N 440.884 1.164 30 10 IDEE CCOCc1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1503131670 JALVRNZRZLRNMW-KBKYXYHHSA-N 430.509 1.060 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1503634387 DQYLVHRONZGABS-UHFFFAOYSA-N 442.501 1.207 30 10 IDEE COc1ccncc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1504458745 DTIYTISZZJIVLO-FOIQADDNSA-N 430.534 1.762 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1505027775 SYDXOAJOUFZIIP-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1507515749 IIYXYOMSAMLHKE-HZPDHXFCSA-N 440.614 1.236 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(OC)c1 1507605111 PEQAJAYYJNZVKK-JOCHJYFZSA-N 427.505 1.438 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507633346 FZHLGZQIURXPCV-AWEZNQCLSA-N 438.500 1.545 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1nc2cc(OC)ccc2n1C 1507710189 LEZNLFVMLAXABC-UHFFFAOYSA-N 432.488 1.765 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(COC)c2)CC1 1507723431 ILHHFVDXBGYTKO-IBGZPJMESA-N 426.496 1.318 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOCC(C)C)CC1 1507738715 WNAYAAORJNUWFE-UHFFFAOYSA-N 427.553 1.707 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1507844609 MIEPGTUYZXSFMU-MSOLQXFVSA-N 441.598 1.530 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1508018413 DUCAKSFLFYXLFE-SFHVURJKSA-N 432.550 1.427 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508079612 AKNLSMAJROLGLV-QGZVFWFLSA-N 425.537 1.773 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC23CCOCC3)C1 1508116423 RTBJYQTXBMEUIO-YESZJQIVSA-N 439.582 1.486 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1COc2ccccc2O1 1510172982 FXJNFMJXAUCBON-ZBFHGGJFSA-N 446.533 1.468 30 10 IDEE CC1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1512338585 SDZFGHHXJWNXIV-LJQANCHMSA-N 429.569 1.641 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1 1515993359 BGESGDGQNUOHSF-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1517402126 BKKWZFUITPXTFU-UHFFFAOYSA-N 448.535 1.624 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1519451941 ZFXSVDUVUBJPFI-SCTDSRPQSA-N 427.509 1.240 30 10 IDEE C#CCN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@@H]1CCS(=O)(=O)C1 1530298240 WVQQZIZMTDJORH-CQSZACIVSA-N 427.313 1.896 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1534728812 MDIMSJWTLIZFAQ-IBGZPJMESA-N 442.493 1.940 30 10 IDEE C[C@@H](C(=O)Nc1nc2n(c1C#N)CCOC2)N1C(=O)c2ccc(Br)cc2C1=O 1537672236 HSGRHCKJAXBWAO-VIFPVBQESA-N 444.245 1.671 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1539021540 CTWNQJVNHKKQOC-GOSISDBHSA-N 425.533 1.779 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1539265985 LEXJEQJEASAKEN-FPOVZHCZSA-N 439.585 1.774 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539824506 VOVFPGQDHSTVIS-RRFJBIMHSA-N 436.944 1.096 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(CC)n2)C1 1540884005 ISCKHYZOMPMVQY-ZFWWWQNUSA-N 440.595 1.737 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(N)=O)nc2)C1 1540896273 JLBWQUDTJOZDAT-SCTDSRPQSA-N 442.520 1.326 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540907785 IKINYJIMGLVCJM-MRXNPFEDSA-N 449.533 1.286 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1540909380 GGQUOTFHGHTQTC-IAGOWNOFSA-N 442.655 1.872 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 1540976333 BSHIEMUAPMLJNS-NRFANRHFSA-N 425.466 1.791 30 10 IDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCNS(C)(=O)=O 1541362961 GGIFFQGEIXHGQZ-UHFFFAOYSA-N 449.556 1.678 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCOC)c2cccc(C(F)(F)F)c2)C1=O 1542606925 DHYFEJNQRZQUBL-CQSZACIVSA-N 427.379 1.876 30 10 IDEE CCCOc1ccnc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1543122029 PAUFAXHJOBIUNP-UHFFFAOYSA-N 429.502 1.213 30 10 IDEE CCS(=O)(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1543195139 CSQWBJMAPFPIIT-GICLCMKGSA-N 444.579 1.546 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1547731447 LEKQCNMRYFLCDV-AZUAARDMSA-N 443.621 1.933 30 10 IDEE CO[C@H](CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1554621891 ZUASSAJDPQZHTP-BXUZGUMPSA-N 442.398 1.702 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(C)c1 1555544331 BBJRSHYOBFRYBA-UHFFFAOYSA-N 448.531 1.821 30 10 IDEE C#CC[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C)C(=O)OC 1556971138 QWXAVAWHFGXGNH-GJZGRUSLSA-N 445.335 1.433 30 10 IDEE Cc1cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)nc2c1c(=O)n(C)c(=O)n2C 1558163538 DOZXQKOMTXVXTG-UHFFFAOYSA-N 442.325 1.639 30 10 IDEE C#CC[C@H]1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1 1560136198 NAXAUTAGVFBLIE-SFHVURJKSA-N 449.573 1.778 30 10 IDEE C#CC[C@@H](NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)OC 1570219073 RKXVWLBAPWOZCS-OAHLLOKOSA-N 441.465 1.836 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)[C@H]1c1nccn1C 1586862171 BVRIZTRWEMEKDU-XIRDDKMYSA-N 446.305 1.852 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1587898300 NHXGLRNPBXJELK-WDSOQIARSA-N 443.552 1.990 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1588046121 XWLIPONAKSBIGE-SFHVURJKSA-N 446.492 1.956 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1588069110 HMLLHRRZZKTDRG-QGZVFWFLSA-N 447.586 1.445 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1588800207 ATKBVFSAPIKGEX-INIZCTEOSA-N 436.486 1.318 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1594783464 CCHYQYNGEZDRBE-UHFFFAOYSA-N 428.493 1.908 30 10 IDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595330177 NSDVBQIHWUYMIN-HNNXBMFYSA-N 428.493 1.713 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1595562382 XAKPMWHWQGBVHW-UHFFFAOYSA-N 433.516 1.949 30 10 IDEE CCC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)OC 1614411007 CXPCYGZZLGPYIP-PKOBYXMFSA-N 439.520 1.758 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1)C(=O)OC(C)(C)C 1618796505 ZVIUBAYDXWKQQZ-UHFFFAOYSA-N 445.516 1.859 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1618895396 NTQSNPYJFNLNBI-GOSISDBHSA-N 426.477 1.511 30 10 IDEE COC1(C(F)(F)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)CCOCC1 1619014857 LAUPFOVCBCDPIR-CQSZACIVSA-N 428.484 1.986 30 10 IDEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC(C)CC1 1619049063 DSYBICMDPSDLPN-IOSXPMGOSA-N 440.570 1.212 30 10 IDEE CSC1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CCN(C)CC1 1620216597 FDBIYOHKJKWKPE-LJQANCHMSA-N 435.573 1.783 30 10 IDEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1624906132 BATLCCJWPDOFOT-PXAZEXFGSA-N 433.461 1.686 30 10 IDEE C#C[C@@H](CO)NC(=O)CCCc1nnc(-c2ccccc2I)o1 1625165756 VOGAZQSITGOBQB-NSHDSACASA-N 425.226 1.774 30 10 IDEE C#C[C@](C)(CC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1627870329 CKHMUZRKAJDOIZ-OAQYLSRUSA-N 432.546 1.445 30 10 IDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1631627421 CLFDRRUDKOTTGF-CABCVRRESA-N 442.394 1.161 30 10 IDEE CN1C[C@@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)N(C(=O)OC(C)(C)C)CC1=O 1631965015 VYHUSXFSWRLEAK-AOMKIAJQSA-N 427.505 1.543 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)ccc1OC 1633486565 PYWSGPLXQWKDHL-HOCLYGCPSA-N 430.436 1.317 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCCN1CCO 1637250286 WLCRVZVEUAVVLH-QGZVFWFLSA-N 436.578 1.249 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(C)c(C#N)c2)CC1 1638299205 OPRFSRYRXYGNLG-UHFFFAOYSA-N 427.530 1.807 30 10 IDEE CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1638877275 YQHZKCJKFUIUTC-UHFFFAOYSA-N 429.502 1.746 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN([C@@H]4CCOC4)CC3)C2=O)cc1 1640918325 CCXFNLALICZOHO-RTBURBONSA-N 425.489 1.133 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2cnc(C#N)c(C#N)n2)C1 1651655015 ZKKIGGOBPQAIRW-QAPCUYQASA-N 439.520 1.952 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCOCCNC(=O)OC(C)(C)C)CC1 1655284420 XGXFOVNRGVLQNA-SFHVURJKSA-N 425.574 1.152 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C2)c1 1664427757 PDSCPCUXATYMBJ-UONOGXRCSA-N 434.436 1.965 30 10 IDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1674098834 FTRATAUZPHMZFH-OALUTQOASA-N 435.594 1.968 30 10 IDEE C#CCSCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1677865935 OBQYKTRHNPMADK-AWEZNQCLSA-N 443.310 1.840 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 1680909827 OUIDDOZVBGQIGF-QGZVFWFLSA-N 425.526 1.854 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1689988215 LDDQMXABMOEVLM-KRWDZBQOSA-N 449.602 1.391 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1690004898 KDPFZYNNMRFVQK-MRXNPFEDSA-N 428.514 1.470 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)N2CCOCC2)CC1 1690128346 BESWKZMJYYIUJJ-IBGZPJMESA-N 426.540 1.484 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1690152603 RBFPQPHAOKKETR-HSZRJFAPSA-N 443.523 1.827 30 10 IDEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690157614 KRULNTQTQLBWJB-YJBOKZPZSA-N 447.536 1.875 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690308442 NXYRUSUZTGJBNS-QGZVFWFLSA-N 440.508 1.094 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690309869 MNAFDYWTPNQBCA-SFHVURJKSA-N 430.553 1.803 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1690361335 OYDYLLFUAWZQGA-GOSISDBHSA-N 431.585 1.515 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690674393 ZEYSTUOSZRTVLX-HNNXBMFYSA-N 426.550 1.663 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1CSC 1690675073 OURBBYSOVJGVAO-CQSZACIVSA-N 434.591 1.904 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccco2)N(C)C)C1 1690700775 XOWRWPWCHVRFER-RCCFBDPRSA-N 449.577 1.857 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1696928786 NCZIXMJHBXHCBX-LFRPXUGBSA-N 428.493 1.477 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCCC1 1698172558 WXBODUJOGOUIJQ-ZWKOTPCHSA-N 434.541 1.524 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(=O)NC(C)C)c1 1705507004 OOGPFLQEOIFRJU-SFHVURJKSA-N 438.532 1.753 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705587752 HSXNZXWYGNYCDA-TUFLPTIASA-N 443.592 1.963 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1705589877 WVJADTBILJJMMV-QUCCMNQESA-N 442.589 1.654 30 10 IDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705611001 MLGSVWSCWBFRIF-AEFFLSMTSA-N 429.550 1.399 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)CC 1705619485 RUWRMISDTJSZGW-YWZLYKJASA-N 437.541 1.828 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1705650500 SNPPCCVKVYUDLG-UHFFFAOYSA-N 437.548 1.948 30 10 IDEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705829190 JZPZQKHIKHWARA-UHFFFAOYSA-N 444.580 1.799 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1705844259 YQYIVDARCLHFDK-SFHVURJKSA-N 437.541 1.923 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705949738 HOFUUPMXBUYOHX-TWOQFEAHSA-N 437.566 1.952 30 10 IDEE CC1(C)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706945793 FIYFVYCSTMIMRW-UFOSLELVSA-N 427.509 1.382 30 10 IDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1709755169 BAXJRWSEKCIXHP-UHFFFAOYSA-N 437.548 1.883 30 10 IDEE CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1710543734 OYCPZDXLOXVURK-MDZRGWNJSA-N 440.504 1.824 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1710688825 JTRAYPAAQCUCNE-GJYPPUQNSA-N 440.545 1.461 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@H]1CC 1710838770 NCCBZJIFSANMFT-HXUWFJFHSA-N 449.563 1.931 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1710990371 QUHKJGIPERRCOX-SFHVURJKSA-N 427.509 1.243 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1712614999 BYUBTXIHONSIKD-IBGZPJMESA-N 426.521 1.832 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1722345146 WYQBLVKJPMZYIK-SFTDATJTSA-N 435.594 1.208 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1722391846 WLSHAVNBFLLJFK-DENIHFKCSA-N 448.589 1.749 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1722452465 GWOCALRJBDXMJB-QGZVFWFLSA-N 442.593 1.678 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1722508399 SDJAAMDZMYHRPU-AZUAARDMSA-N 426.521 1.616 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1722538007 SLZDYGAPPFUHBZ-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722706640 WHHHYXIBULCLGO-GWTOYCKXSA-N 429.496 1.896 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1722728094 NXZXPPNIHZUWRQ-UHFFFAOYSA-N 438.623 1.856 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)C)CC1 1722729115 FQWJIBACUADOLQ-UHFFFAOYSA-N 438.623 1.765 30 10 IDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722734788 CZDULJDMBWLHKE-UHFFFAOYSA-N 429.594 1.906 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1723620239 HURDUBQWWCKWJY-HNNXBMFYSA-N 435.529 1.450 30 10 IDEE CCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1728182288 OWVPBRZYFWSIDT-QGZVFWFLSA-N 425.493 1.485 30 10 IDEE CN1C(=O)C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCS(C)(=O)=O)CC[C@H]21 1729564063 FWEHMKYRUQYCPP-ZWKOTPCHSA-N 442.545 1.308 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCC(=O)NCc2ccccc2)CCO1 1731186328 CFOSWNNGIVDWNV-HXUWFJFHSA-N 431.500 1.699 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)F 1740532970 NKZYEUURGYLPAI-QWHCGFSZSA-N 442.492 1.433 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1740616623 DHPPQFIBCCBFMW-JKSUJKDBSA-N 447.517 1.142 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740626710 YOBQWEAOWKEFLK-SFHVURJKSA-N 448.593 1.582 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1740638971 QSHHKKUVGQDRLG-MRXNPFEDSA-N 439.524 1.037 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC(C)C 1740646791 BWUMLQJLGNSQEL-UHFFFAOYSA-N 439.516 1.958 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740665495 DXWYHNFQLMHBHX-QGZVFWFLSA-N 447.561 1.846 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1740672019 UXOKOXNFCAHTLL-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1740680157 SOQWJCJRUNAFCC-XMSQKQJNSA-N 428.537 1.475 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740714772 KHHXHGTZILSEQF-UHFFFAOYSA-N 441.561 1.281 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cn(C2COC2)nn1 1740769145 RSWWCXWILAVIAS-OAQYLSRUSA-N 431.541 1.932 30 10 IDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1740885435 GZBHCULDLPWKFE-SFHVURJKSA-N 440.552 1.356 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1740956730 PFHQVVCXUCGRAO-CYBMUJFWSA-N 434.859 1.681 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1740962276 XUMKOCJTDFQQOG-UHFFFAOYSA-N 439.564 1.649 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1741033073 MHOBYKVYOWESGQ-IBGZPJMESA-N 435.532 1.790 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCC1 1743206743 HGFSKACDZOKTAS-KRWDZBQOSA-N 437.548 1.880 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744066398 WFHANLUQEUDMMF-LZICOFPGSA-N 443.552 1.959 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746713206 HEBCSZUKYNBEJO-BTYIYWSLSA-N 428.493 1.535 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1748811383 FRHSNOCLFZCAMM-CQSZACIVSA-N 427.477 1.192 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748811465 HLFXMQGZMLJEGR-IAGOWNOFSA-N 444.561 1.272 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCC1 1748960742 NMDANSQJFDQSPQ-UHFFFAOYSA-N 449.559 1.762 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCN1CCCS1(=O)=O 1749073341 LZFJLLXPELNJNB-JOCHJYFZSA-N 443.573 1.927 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1(C)C 1749196590 PURDOTREOSDOTB-UWJYYQICSA-N 445.545 1.228 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749391949 VZCWQHAOYIXCMF-CQSZACIVSA-N 445.549 1.780 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749456783 AOOVDHRYVSFNQV-KURKYZTESA-N 440.566 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](CC)C1 1749741094 PBAKKSOOODHJCC-ULQDDVLXSA-N 444.623 1.935 30 10 IDEE CS(=O)(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1750191162 ANGLWJWLWCRFNO-LJQANCHMSA-N 444.492 1.748 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)CC1 1751279624 IFGKZYDJXBHBJT-UHFFFAOYSA-N 434.522 1.571 30 10 IDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760158623 ORWNMSGGDLCIHS-INIZCTEOSA-N 435.525 1.880 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1760185817 DYCRUYCUZBIJKI-OALUTQOASA-N 433.553 1.909 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760186155 AZKBXJOMYUFUKX-SJORKVTESA-N 449.577 1.063 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1760250202 XJAHJPPSUPSARZ-HXUWFJFHSA-N 440.548 1.538 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)c2cccc(C)c2)CC1 1760268117 CQHPWTAIKJMLKE-UHFFFAOYSA-N 434.544 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCC(=O)N2CCCCCC2)CC1 1760268925 RDUFOZKBIINOIX-UHFFFAOYSA-N 426.565 1.914 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760286370 JQKIWVSTSZLHIU-UHFFFAOYSA-N 448.637 1.706 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1CCS(=O)(=O)NC 1760483121 FLTJPFGPJNEGLD-UHFFFAOYSA-N 431.497 1.616 30 10 IDEE C=CCN(CC=C)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760497175 USWMBVPZQHCSBX-OAQYLSRUSA-N 432.546 1.894 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC[C@H](COC)C1 1760514378 CWFSSGZLGIGDJK-INIZCTEOSA-N 427.509 1.481 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(F)(F)F)C1 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CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2268699267 FFPHVDUWDHRESQ-AWEZNQCLSA-N 448.329 1.478 30 10 IDEE COCCc1nnc(SC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331236693 VGRKNFROJHUNSK-UHFFFAOYSA-N 435.550 1.791 30 10 IDEE CCOC(=O)/C=c1\s/c(=C\c2ccc(C#N)cc2)c(=O)n1CC(=O)N1CCCC[C@H]1C 3438527 YRPGJWIBXGTEJV-UKTUSPRJSA-N 439.537 1.355 30 10 IDEE C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc3c(cc21)OCCO3 13792041 QDRSRCSZKTYUIW-UUPHZHHOSA-N 435.527 1.206 30 10 IDEE O=C1CS/C(=N/N=C2\NC(=O)[C@@H](CC(=O)c3ccc(Br)cc3)S2)N1 39886358 UFTCTWOSBHYKPW-SNVBAGLBSA-N 427.305 1.744 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)NCc3ccccc3)n[nH]2)cn1 59887276 MAXIDKFIZMFKBO-CIAFOILYSA-N 428.522 1.892 30 10 IDEE N#C[C@@H]1C(=O)N=C2NC(N3CCC4(CC3)OCCO4)=NC(O)=C2[C@H]1c1c[nH]c2ccccc12 72444392 WEJFWHOOZJUFAS-WMLDXEAASA-N 446.467 1.898 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCN1CCOCC1 440372809 DLBJDDXUBILVCG-UHFFFAOYSA-N 443.569 1.652 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCC4CCC(C#N)CC4)CC3)C2=O)n(C)n1 442730298 QQLBRTDKKUWFCY-MHJFOBGBSA-N 441.580 1.881 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1Cc1ccon1 447273411 VPEOWYZTDUICMH-UHFFFAOYSA-N 440.431 1.824 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 480110444 NFZGVSPLMPARHO-DOMZBBRYSA-N 433.515 1.311 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)cc1 482073279 XNAAIIIFGIOMEX-OAHLLOKOSA-N 426.498 1.679 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482555019 IVQZHUCTJHZJJF-CQSZACIVSA-N 440.550 1.147 30 10 IDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 500794581 UMTPYXONIZPARD-UHFFFAOYSA-N 448.501 1.405 30 10 IDEE C[C@H](C(=O)N(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)n1cccn1 503680324 NJNNUSFTBIFUGS-PBHICJAKSA-N 426.502 1.314 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 510307670 NGOBNAKRSNXKPR-SFHVURJKSA-N 440.529 1.248 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2)c1 512234085 KGYYBNKMUACHOB-LJQANCHMSA-N 434.500 1.465 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)s1 532756259 MPEFOIAIYFUSTB-ZDUSSCGKSA-N 430.551 1.889 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cc(OC)cc(C)n2)c1=O 540695433 QTZZNEPRFBXFQH-UHFFFAOYSA-N 438.509 1.444 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)CC1 544440781 MQVVNZLXWCRXEO-SFHVURJKSA-N 426.502 1.818 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=C)C)CC1 549327849 UVRAWOGCEHQHKS-UHFFFAOYSA-N 440.548 1.963 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 603797967 PGWIZAARXCOEKR-UHFFFAOYSA-N 449.507 1.708 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C[C@H]1CCCO1 614904047 IEZKUVYBXSXOHW-OAHLLOKOSA-N 426.494 1.546 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccc(C#CCCO)cc1 703981984 WVDHQZZAERVCCH-UHFFFAOYSA-N 426.494 1.526 30 10 IDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)cc1F 726582966 YCHDDOYOYRRWQC-UHFFFAOYSA-N 444.451 1.654 30 10 IDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)[C@@H]1CCS(=O)(=O)C1 729330848 GEMVVOQTNLAGPW-GOSISDBHSA-N 436.489 1.745 30 10 IDEE C#CCN(C(=O)CSc1nnc(C)n1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 729332382 YDNBRHFORAVMJH-INIZCTEOSA-N 434.543 1.325 30 10 IDEE Cc1ccc(-c2nnc(S)n2CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731862231 ASIIKGJEXRHLAQ-ZPHPHTNESA-N 426.502 1.575 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795339 CDMYHIRCGKKKTR-QGZVFWFLSA-N 428.558 1.984 30 10 IDEE C[C@@H]1NC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)=NN(c2ccccc2)C1=O 749377845 LQXGQFPSIFVFTQ-KSSFIOAISA-N 448.508 1.737 30 10 IDEE COC[C@@H](C1CC1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 749806693 PJHKGKJXDIBCAZ-RBUKOAKNSA-N 443.573 1.983 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc(CNS(C)(=O)=O)o1 754132423 ACOSZVCACLINGD-AWEZNQCLSA-N 449.485 1.830 30 10 IDEE CCc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 754351171 PJTFROAPSVNKFH-GFCCVEGCSA-N 435.440 1.250 30 10 IDEE COC(=O)c1ccc(NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)c(OC)c1 756902853 YLYJEYQWBBYPEI-UHFFFAOYSA-N 437.456 1.772 30 10 IDEE Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 757579850 HAULWKZMDGHZJV-WBVHZDCISA-N 436.534 1.539 30 10 IDEE CS(=O)(=O)c1csc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 767461129 AQPLUKCETLNZMP-UHFFFAOYSA-N 449.329 1.904 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCSC[C@H]2CCO)c1 768972377 LVRDWNMZAGZNOI-XZOUCZQKSA-N 426.564 1.831 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1cc[nH]n1 770824547 VOUFYDKTHXZANP-UHFFFAOYSA-N 441.488 1.249 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CCS(=O)(=O)C1 774210833 LEEOPHJGAFYJAR-HZPDHXFCSA-N 425.501 1.761 30 10 IDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 793507136 BNFNVWUJHKUTGI-IIBYNOLFSA-N 428.489 1.599 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccccc3)c2=O)cn1 794595743 ITRTYJZUGRXXBE-IBGZPJMESA-N 446.532 1.754 30 10 IDEE CNC(=O)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 797767007 SZRKOCGUMQGACY-QGZVFWFLSA-N 428.514 1.499 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)c1ccnc(C(F)(F)F)c1 808485553 VMDGFMXNWIRFSP-UHFFFAOYSA-N 441.387 1.955 30 10 IDEE Cc1cc(C)c(N2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)c(C)c1 811415959 YLARVGZBSVFWOR-IBGZPJMESA-N 440.525 1.684 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)cc1 1083962513 ZVJFFSKFUCJXGJ-UHFFFAOYSA-N 432.491 1.412 30 10 IDEE C[C@@H](Sc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1)C(N)=O 1126877285 JHRQVHCTOBJENG-DGCLKSJQSA-N 439.563 1.623 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1162475480 YHEYDKNPNISFSW-HKUYNNGSSA-N 435.546 1.007 30 10 IDEE Cc1c(O)nc(CCN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1O 1178893301 IJIZLINRBQNUAV-CYBMUJFWSA-N 429.864 1.775 30 10 IDEE Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 1189537438 DKPZWPFSLQSNRP-UHFFFAOYSA-N 428.514 1.178 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286507094 UZCBWKXFDDZVJI-ROUUACIJSA-N 433.578 1.714 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286612543 VOYUFAIXUMWLQU-PMACEKPBSA-N 446.596 1.508 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)cc(OC)c1 1286726572 GBKJMVHBHAVDBR-SFHVURJKSA-N 435.550 1.599 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC 1286758063 BVSRUCGQCNDTSL-ROUUACIJSA-N 438.598 1.274 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCc2sccc2C1 1286773156 IXGVYDDYQMMRRD-KRWDZBQOSA-N 430.578 1.988 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286782092 KAJYZQOSKGZDSK-ZWKOTPCHSA-N 442.476 1.540 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1286815426 URTPZVIFDSZCBD-GOSISDBHSA-N 434.453 1.896 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cncn2)C1 1286822686 NDBPJVORKQGFRI-KRWDZBQOSA-N 447.590 1.964 30 10 IDEE CC(C)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287207502 RDGLUXXPJQLRKU-BAOKRACBSA-N 441.536 1.423 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1296299061 GRYZGWXPXAZHNT-IRXDYDNUSA-N 444.488 1.626 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(C(=O)NCC(=O)NC)c3)n[nH]2)c1C 1296990898 XQRDFVCQSSKNBQ-UHFFFAOYSA-N 435.488 1.804 30 10 IDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300418861 BAOYVTBVCRBXTE-SFHVURJKSA-N 445.589 1.955 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1300479939 VTIFOSXNAIUEJQ-SQNIBIBYSA-N 435.594 1.869 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C1CC1)N(C)C 1300569202 GDOZHGIKNIQJCS-NRFANRHFSA-N 429.532 1.724 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(C(=O)OC)CC2)CC1 1300703705 QCOAGKYAPXLTFE-UHFFFAOYSA-N 437.548 1.498 30 10 IDEE COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1301025209 SPSSXXLHIHBSHL-FQEVSTJZSA-N 448.531 1.519 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1301253027 VBZXRBFHZYOYRA-LJQANCHMSA-N 432.569 1.371 30 10 IDEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1302505114 GDNYDQDJRIGMFP-QTEAWJPNSA-N 427.534 1.967 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC(=O)N2CCCCCC2)cc1 1302988972 FTYAVKWPKHYCBB-IBGZPJMESA-N 435.532 1.921 30 10 IDEE C#CCN1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1303792768 PWPFEVBPGFDPFH-UHFFFAOYSA-N 434.743 1.577 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1[C@@H]1C[C@H]1CF 1303863272 PDNXTCSNQDYCSF-CWRNSKLLSA-N 448.528 1.012 30 10 IDEE C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1303913364 BGCVTQHVJHEVNG-UQASEVPWSA-N 446.939 1.867 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1304902440 AZYVAQCKAZPVOX-JGVYIQDASA-N 426.546 1.785 30 10 IDEE CS(=O)(=O)N1CC(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 1307653710 ITPLKXZLZVAXSD-KRWDZBQOSA-N 427.368 1.523 30 10 IDEE C#CCN(C(=O)c1cnn(Cc2ccccc2)c1Br)[C@H]1CCS(=O)(=O)C1 1352905197 NNCZWBSSQWNBAQ-HNNXBMFYSA-N 436.331 1.956 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358909022 RLCLGJZSQOKOFE-IAGOWNOFSA-N 426.473 1.838 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCO[C@@H]1CCCC[C@H]1C 1358948417 BZHJETZUYSYGEJ-KURKYZTESA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358961608 BWQRPXKWTBIDCS-IBGZPJMESA-N 436.578 1.616 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN(C(C)=O)C1 1359026449 YLMRQTNVVASNMB-FQEVSTJZSA-N 449.559 1.861 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)SC)CC1 1359031647 KEYPERMAMHONDM-MRXNPFEDSA-N 433.603 1.855 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1359058056 RMPJFEFEJCOHTB-KRWDZBQOSA-N 436.559 1.638 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359126303 LVYOPRFUBRTMQQ-UHFFFAOYSA-N 435.573 1.593 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)CC)C1 1359314730 HCFYGNZTRHYWJC-KRWDZBQOSA-N 447.561 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1359335613 QACYMNJCUOICSE-KRWDZBQOSA-N 448.545 1.766 30 10 IDEE CC(=O)N[C@](C)(C(=O)N1CCC2(CC1)CC(=O)C=CO2)c1ccc(S(C)(=O)=O)cc1 1439727550 QTVUIERIJJJCNN-FQEVSTJZSA-N 434.514 1.306 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](N4CCNC4=O)C3)C2)C1 1442732437 POGTXBZQNDNEFS-QNOZYLDQSA-N 431.537 1.789 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2cccc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1460888318 QHPGZAYYIZAQGC-MSOLQXFVSA-N 448.545 1.605 30 10 IDEE C#C[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccccc2F)C3)c1C 1468477846 JYRQDPSFHQNWQJ-LJQANCHMSA-N 433.487 1.997 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)c1 1468661783 TUHOWLUDYCKLEP-UHFFFAOYSA-N 436.511 1.070 30 10 IDEE CC1=CCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1492619234 NSEKEPQDTDMJKW-QZQOTICOSA-N 436.520 1.823 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1496839950 FMVKGFZJXQLOBS-NRFANRHFSA-N 433.532 1.945 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nccs1 1503281395 CWOOMSSDPSJFOL-UHFFFAOYSA-N 431.547 1.849 30 10 IDEE CN(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1503401943 HCBRXMKQKGEJEO-UHFFFAOYSA-N 425.537 1.600 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1503838222 FDNUAVHVNSPJBL-HOTGVXAUSA-N 432.550 1.760 30 10 IDEE COC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)OC 1504578271 HPHUUJJWENKEEF-OLZOCXBDSA-N 425.287 1.426 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1=O 1504910117 FOUXASCFZDWSQZ-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1507568043 QCYDPMXXDLPDBL-IRXDYDNUSA-N 446.552 1.702 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507667777 WJXMWOSHPGOZSV-GOSISDBHSA-N 441.557 1.698 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1NC(=O)CC1(C)C 1507713820 YBVMYEZSXMQELK-GOSISDBHSA-N 435.532 1.517 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccn(CC)c2=O)CC1 1507728801 VFQJZLSWESPDIR-UHFFFAOYSA-N 437.573 1.619 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NCCC)CC1 1507730500 RAUKKZZATYYLNG-HXUWFJFHSA-N 438.532 1.462 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1507964423 FRRPYTAXYVYDKX-FXAWDEMLSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508095449 PAVPFRRPNKMCCY-LJQANCHMSA-N 449.515 1.152 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 1508129192 AOAQCNUECFWLDH-UHFFFAOYSA-N 438.598 1.035 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)OC(C)(C)C1 1508131879 RSOOVRLHMRULFS-UHFFFAOYSA-N 439.582 1.509 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@@H](C)C2)CCOC1 1512237507 GOVPVOZHHDIIOW-DXIQSLLYSA-N 432.569 1.779 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCS(C)(=O)=O)CCOC1 1516185007 RDOYJWSHIAMNIA-RTBURBONSA-N 443.545 1.587 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1516766062 VYWWOXCTDPWJCT-IBGZPJMESA-N 426.521 1.973 30 10 IDEE COc1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(F)cc1C#N 1534037312 FECPYWRWDIUZNE-UHFFFAOYSA-N 449.460 1.988 30 10 IDEE CN(CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1538862928 WLQSZNPPECELMO-IBGZPJMESA-N 444.469 1.687 30 10 IDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1539386446 NJPBOOXZKMTURR-GOSISDBHSA-N 432.496 1.630 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)c(OC)c2)CC1 1539445575 AJVUHYURXTWQSF-SFHVURJKSA-N 438.532 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)CCC(C)C)CC1 1539481583 MMVDSZBEGGVDJK-AUSIDOKSSA-N 431.581 1.935 30 10 IDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539750697 UGSBJGOWFLDTCO-UHFFFAOYSA-N 434.585 1.050 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1540037335 ILJCFBYAJKFEEU-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540040034 MINYNFIHASILIE-FQEVSTJZSA-N 440.548 1.684 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)C)CC1 1540871367 KEOXOWGGTJGFDG-IBGZPJMESA-N 426.521 1.623 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540903180 AAWNHIIHBBPGNZ-LJQANCHMSA-N 425.555 1.498 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1540909838 QMSNGVJOVKCIGS-OAHLLOKOSA-N 429.612 1.814 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(N)=O)c1 1541798266 FZMWABBBSBNESR-OAHLLOKOSA-N 425.493 1.165 30 10 IDEE CC1(C)CN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1542012749 FNTXJRNFTLZQDR-INIZCTEOSA-N 431.928 1.833 30 10 IDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C#Cc3cccs3)C2)CC1 1544681598 YPLVWUNQNIKZKW-UHFFFAOYSA-N 439.559 1.193 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 1544693097 BXFSJVYFSKQCPF-QGZVFWFLSA-N 449.554 1.909 30 10 IDEE CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1547002536 FGGFWQUJSYTDJH-SFHVURJKSA-N 446.577 1.809 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C 1547710820 BAEFFNRYDWYYLP-WMZOPIPTSA-N 428.562 1.782 30 10 IDEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnnn2C)cc1OC 1547949722 HZRYYHPGHLVIBH-FQEVSTJZSA-N 426.456 1.971 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)cc1 1549161884 PJQQAMDPVXXZEY-SFHVURJKSA-N 444.513 1.155 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1554975102 RHPPJCRRIKZPRF-UEXGIBASSA-N 431.468 1.848 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1555990972 VBKYPLTUUSZQBU-HZPDHXFCSA-N 437.495 1.325 30 10 IDEE C#C[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1 1556781484 HPLVWHFDVPHSCZ-KXBFYZLASA-N 448.317 1.855 30 10 IDEE Cc1onc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)c1C#N 1557420403 OPXZWSDKICLDEP-WFASDCNBSA-N 444.410 1.777 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1557560135 HHFLASWMEOAUCV-UHFFFAOYSA-N 426.517 1.855 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1565622176 BTNQHGLEOPWYDM-UHFFFAOYSA-N 434.562 1.128 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)cc1 1569676575 VLMJWWHHKMMCDF-GOSISDBHSA-N 431.470 1.800 30 10 IDEE CN1CCC(N(CCO)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1570862707 CVSWEOGRPVURIJ-UHFFFAOYSA-N 427.505 1.938 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncc2c(n1)CCOC2 1583693704 QZTPQBLFBBFJCR-KRWDZBQOSA-N 443.529 1.319 30 10 IDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2)C1 1586254294 LSYQEXPCVGJWKO-CQSZACIVSA-N 429.502 1.958 30 10 IDEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 1587262851 PIDBPBWJFXTDLB-UHFFFAOYSA-N 432.496 1.779 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1588088966 DORFQUOQKGKBPX-XMMPIXPASA-N 435.528 1.741 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1CC 1588128315 HVCSWXDTULYMRE-UHFFFAOYSA-N 433.516 1.985 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1588228698 KDHJKBHNPYNASS-LJQANCHMSA-N 425.558 1.757 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588871518 GFFZXZCCWANORE-VGOFRKELSA-N 429.496 1.291 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589109485 BXLRASAICWOGRV-IEBWSBKVSA-N 444.557 1.892 30 10 IDEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OCC 1589371961 SXRIFKJDSDHONP-HOTGVXAUSA-N 426.539 1.441 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1594812887 MDESVNNZYUNTKG-KRWDZBQOSA-N 439.582 1.220 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1595517118 PYAFZFKKMBWPST-HDICACEKSA-N 437.548 1.664 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1595529820 JCHCTRTUBZZPOJ-UHFFFAOYSA-N 449.475 1.272 30 10 IDEE N#C[C@@]12CN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)C[C@H]1CS(=O)(=O)C2 1611164427 FPYTUESWDAGJKN-QFYYESIMSA-N 426.285 1.584 30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1611620162 CYALHKDXSCBUNI-FXAWDEMLSA-N 426.542 1.721 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCN1C(=O)CNC1=O 1616918891 VQDSTLHXTKBJJI-SFHVURJKSA-N 441.488 1.451 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1617443942 OYTLAGIKGKRERS-MCGGYZEXSA-N 442.545 1.212 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3ccn(CCC#N)n3)CS(=O)(=O)[C@H]2C1 1618206372 XSNSVGJUISCMIX-KFWWJZLASA-N 437.522 1.405 30 10 IDEE C#CCCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1622332883 ZNVIBXNCAHORAZ-CHWSQXEVSA-N 426.457 1.583 30 10 IDEE C#Cc1ccc(CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 1624428520 OMHPAYNSMAOUJK-UHFFFAOYSA-N 427.526 1.745 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](OC)c2ccc(Br)s2)CC1 1627014774 DLTXMEPZVVNEIE-MRXNPFEDSA-N 428.352 1.482 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C(=O)COc3ccccc32)s1 1627282069 TXJKZPKFLDWESW-UHFFFAOYSA-N 435.527 1.297 30 10 IDEE C=CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)[C@@H]1CCS(=O)(=O)C1 1627334676 KAANRDAIJIONDY-CHWSQXEVSA-N 425.498 1.920 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1627790755 SJNVMIWNQGCYAS-MRXNPFEDSA-N 444.513 1.574 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C[C@H](C)OC[C@@H]1C 1629041120 CXXBBRAQJODALP-BQFCYCMXSA-N 436.578 1.365 30 10 IDEE C#C[C@@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CCOCC1 1629888859 DSASYNOIJPCGJK-OAQYLSRUSA-N 444.557 1.614 30 10 IDEE Cn1cc(-c2ccnc(C3CCN(C(=O)CNC(=O)c4ccc(C#N)cc4)CC3)n2)cn1 1630622189 MJDZZKGBRNQVHK-UHFFFAOYSA-N 429.484 1.885 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 1632966709 WCXCWEORBPGBAR-FUHWJXTLSA-N 440.363 1.339 30 10 IDEE C[C@@H]1C(=O)N(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C(=O)N1C 1633414829 UKBGVDMTJMRJQL-MLGOLLRUSA-N 427.461 1.706 30 10 IDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1 1636011660 ZQIMEAFWKCKULU-CALCHBBNSA-N 434.477 1.634 30 10 IDEE C[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN(C(=O)OCc2ccccc2)C1 1640636891 OTXNCDZDNAJHEN-JOCHJYFZSA-N 437.456 1.253 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CC[C@@H](COC)O3)ccc2c1=O 1646251515 UJLRPYYVNDGVTA-IPELMVKDSA-N 445.541 1.906 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1666460366 CQMQNAVZAUQQJU-INIZCTEOSA-N 439.534 1.656 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)CC1 1680273145 NZNYIAARHVFZEB-RHSMWYFYSA-N 428.942 1.211 30 10 IDEE C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689982484 OLGDZIURZCKTSE-MRXNPFEDSA-N 441.513 1.406 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1690000259 XHNBEOQWDGUPQB-HNNXBMFYSA-N 441.513 1.764 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CCC)C1 1690008542 IYZLJLUUEWPNEO-IBGZPJMESA-N 429.532 1.726 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1690077214 KUKJHUHVYAGBGF-DLBZAZTESA-N 439.582 1.801 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1690113393 IEMMYTFQQNGFDB-ZJSXRUAMSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)C2CC2)CC1 1690117800 WERCSAGJGKVDHW-UHFFFAOYSA-N 438.532 1.244 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690172810 OWZFEEIODUBWCZ-MSOLQXFVSA-N 446.621 1.328 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1690465064 QUFBYNIVOJVUKC-DLBZAZTESA-N 441.598 1.971 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690470479 CMDFPFCIXMDAIF-UHFFFAOYSA-N 447.565 1.800 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690470769 KXNIIBRJXVRJSU-CABCVRRESA-N 433.600 1.258 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690517302 ARIMADMCGXZPHY-GFCCVEGCSA-N 443.371 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690668760 IEDKYMXTPHOEPH-INIZCTEOSA-N 434.504 1.100 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(CC)C[C@H]1CCCO1 1690669620 KEPPCGQVJYIGKV-OAHLLOKOSA-N 437.504 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690724726 VJXFLEVZNVFBOJ-SFHVURJKSA-N 437.610 1.695 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C)C1 1690728982 CJMGNZYTFKEQAG-CQSZACIVSA-N 439.563 1.096 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1C1OCCO1 1692545926 WLKFLZGSGDOWKK-INIZCTEOSA-N 426.477 1.239 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)C1 1692842587 CRTVHXUPJZCULA-OAQYLSRUSA-N 439.476 1.842 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC2(CS(C)(=O)=O)CC2)n1 1693419630 CQTORRWVBBMTJW-UHFFFAOYSA-N 431.566 1.705 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1ccc(C#N)o1 1696330773 AYEACTKZEZDKDO-UHFFFAOYSA-N 436.476 1.148 30 10 IDEE CCS(=O)(=O)NCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1696508901 VGHABQRTJGXGGR-IRXDYDNUSA-N 440.570 1.071 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1696709052 WDNDQMQFCJRNJQ-UHFFFAOYSA-N 428.522 1.126 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1696942626 MDRZUOLLDKFBRI-PMACEKPBSA-N 438.532 1.975 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697695316 DNXMAUGGJWFJFB-PKOBYXMFSA-N 442.568 1.693 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1698128879 HXKJWHOWNBABTF-HNNXBMFYSA-N 425.555 1.709 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@H]1OC 1698289140 BUMXAVMMIZVYQO-HDICACEKSA-N 447.561 1.880 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1705566752 PWJGCEFYVLTBPR-MSOLQXFVSA-N 430.530 1.466 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(Cl)c1 1705582695 HOBOGOPDORQORG-INIZCTEOSA-N 432.933 1.985 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(N)=O)c1 1705585041 IUDYEDMBODJQFT-UHFFFAOYSA-N 431.500 1.125 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)NC)c1 1705630113 HJWPHSIVQNWOER-UHFFFAOYSA-N 435.532 1.634 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1705646541 HLJLPERBMLONBO-UHFFFAOYSA-N 433.516 1.261 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](SC)C1 1705651656 FBFWBRAMDYVUFN-LSDHHAIUSA-N 431.653 1.977 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1705707191 GOJIDKZNOGHNBC-SFYKDHMMSA-N 447.580 1.874 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1705932801 KQOQTTBOZMXCAS-MRXNPFEDSA-N 435.525 1.790 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705934358 JUUOBXNNBYQBCI-QGZVFWFLSA-N 432.550 1.354 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1708149141 HBGNMFZCYOPYHV-QGZVFWFLSA-N 437.548 1.594 30 10 IDEE CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1709832818 YJUMPDREICBRIT-QYZOEREBSA-N 435.532 1.889 30 10 IDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1712329005 FYZZPCPCAJKSEH-NHCUHLMSSA-N 428.468 1.958 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(=O)NCC(F)F)c1 1712878124 GGRCCHMXDRQMRB-AWEZNQCLSA-N 431.447 1.290 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1712886064 HHYXUSIJICAFIX-MRXNPFEDSA-N 443.533 1.490 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722340479 ACXBBBJTRDZHCH-WMZHIEFXSA-N 445.564 1.560 30 10 IDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1722366551 RTMYKWIJYQJRBI-OAHLLOKOSA-N 438.500 1.810 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1noc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1722370928 SCHUJHMIXPZCAS-HNNXBMFYSA-N 433.534 1.356 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1722396530 JLOJFKJMRLREDJ-SFHVURJKSA-N 431.562 1.046 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722438310 VKXGPPZGYKMHKH-RBUKOAKNSA-N 440.523 1.021 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722463715 KUNQJORFAJFEHD-UHFFFAOYSA-N 429.550 1.002 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1722485746 QWDWOMXVMQTTFO-CQSZACIVSA-N 431.356 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)C)CC1 1722737197 WTURDKSLFHAUPE-ROUUACIJSA-N 441.598 1.133 30 10 IDEE CCCNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1728190075 BQZJOHUMMHRJOT-OAHLLOKOSA-N 436.520 1.704 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1729250827 YHLYDKSRCXOAES-ZQHDKMAOSA-N 429.550 1.491 30 10 IDEE COCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1730677471 KJIGRIVXSSEPFN-GOSISDBHSA-N 426.525 1.607 30 10 IDEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1740576657 CKNMEBUIRMWCDG-NRFANRHFSA-N 449.603 1.758 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740627202 OSVSQFAHYAIEEX-MOPGFXCFSA-N 436.578 1.963 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740627326 POTODLUBPJVWJN-HSALFYBXSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCCC1 1740630959 OCWKQDWQBOLYRI-UHFFFAOYSA-N 439.541 1.467 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C2CC2)CC1 1740705223 DEDQHQIZKCEFBX-SFHVURJKSA-N 428.537 1.012 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1740722017 AYWMZIIDYQASJD-UHFFFAOYSA-N 428.562 1.607 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(CC)c2)CC1 1740825674 RDOQXLHKQYOPGV-QGZVFWFLSA-N 435.554 1.032 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)CC1 1740839710 NPVDMHIBDPAVMI-MRXNPFEDSA-N 430.534 1.125 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740846256 SPMCJDFIPYWQCJ-MRXNPFEDSA-N 426.525 1.754 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1740959796 FDRKWGODJDWJAQ-ZBFHGGJFSA-N 443.504 1.155 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1746581169 SHKVWTOWBDTAIR-IBGZPJMESA-N 442.520 1.931 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCCO2)CCOC1 1746734900 OHSZPHCDRHCNFS-DBXWQHBBSA-N 435.525 1.245 30 10 IDEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1747931127 CIHRZGUHEJWNQO-MRXNPFEDSA-N 447.540 1.386 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C 1748103923 ASJLICUDQITJMU-IRXDYDNUSA-N 425.537 1.356 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)COCCO1 1748664887 KPYFALFSHJPLMU-FOIQADDNSA-N 432.550 1.502 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1748816347 ZHWNLVBCPCFBGA-ROUUACIJSA-N 427.530 1.968 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccco2)CC1 1749008793 GBKVGRHCLJTQOO-QFIPXVFZSA-N 435.488 1.202 30 10 IDEE C=C(C)COCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1749239374 IMXGMDNAFDGXCI-JBYIUTFZSA-N 433.553 1.770 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CC1 1749441730 RCNYWCBVLWPPCP-UHFFFAOYSA-N 442.545 1.635 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1749669883 LRUAXHCFMBVJPN-INIZCTEOSA-N 430.488 1.078 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F 1749671005 XSDPNTDJAYCVSR-HNNXBMFYSA-N 435.525 1.566 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCC2)C1 1749730612 KREAGYKKSIRKLL-GOSISDBHSA-N 433.582 1.344 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1noc(CC)n1 1760172998 GESUIDWULIFWGK-UHFFFAOYSA-N 443.533 1.453 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1760206257 UWPYWGXUDAWTQZ-UTKZUKDTSA-N 430.530 1.371 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1760220830 UNGRDHPIPWAZIO-NRFANRHFSA-N 430.505 1.021 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC2(N3CCOCC3)CC(OCC)C2)CC1 1760253191 BXITUBMAZDZLTR-MFMCRYCZSA-N 444.624 1.817 30 10 IDEE C#CCSCCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760286620 PMZREZYGHAXADS-WIYYLYMNSA-N 435.594 1.601 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COC)CC1 1760323529 DEWRMIBWRADKBA-SIKLNZKXSA-N 440.548 1.540 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760434517 DKOLNXUFLYTSPF-KRWDZBQOSA-N 428.522 1.510 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760519057 QFZIQJLMWIDVKK-UHFFFAOYSA-N 436.538 1.057 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](CN2CCOCC2)C1 1760520622 UOMMFBMBFUTHLP-GOSISDBHSA-N 440.548 1.414 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760556551 HXWLSPJYSCGCRT-IBGZPJMESA-N 441.561 1.041 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1760789728 JJIOICRYUDUAMS-HXUWFJFHSA-N 435.504 1.871 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1Cc1ccc(C#N)o1 1764094612 PEGZVFKXRBEENJ-ZWKOTPCHSA-N 439.520 1.957 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1766944087 GFGGTLOKMITZEQ-INIZCTEOSA-N 427.893 1.327 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1768750312 UVLREXCQAFNHAL-LAGYLCCXSA-N 433.509 1.551 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1769049892 FILRJPMLAXQRPE-PKOBYXMFSA-N 444.561 1.713 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CCO1 1771538452 CLPJIIYHZHNCKQ-SFHVURJKSA-N 440.435 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC=C(C)C1 1772660153 FDICKCNDUDEJQR-UHFFFAOYSA-N 440.533 1.678 30 10 IDEE Cn1ncc(N2CCC[C@H](C(=O)NCC3CCN(c4ncccc4C#N)CC3)C2)cc1=O 1850166023 UIAPOOLWGAAUIM-IBGZPJMESA-N 435.532 1.296 30 10 IDEE CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCO[C@@H](C#N)C1 1851144201 AHHGPRCCKKTOEW-KRWDZBQOSA-N 429.498 1.928 30 10 IDEE COc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)cc1 1857373818 SAOVJAVROOPEIW-LJQANCHMSA-N 433.530 1.612 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)c(OC)c2)cc1 1859010056 NSHXRSUHJGJKQW-UHFFFAOYSA-N 446.481 1.724 30 10 IDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866887520 PTHFWXUHSJRKBZ-KRWDZBQOSA-N 435.889 1.491 30 10 IDEE COC(=O)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OCC(C)C)cc1 1874435148 PQZVECYHTAHRIZ-LSFURLLWSA-N 447.517 1.874 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)O 1914796097 XTOPOBDEKKNHRX-YADHBBJMSA-N 435.528 1.991 30 10 IDEE C#CCn1ncc(NCC2(CNC(=O)OC(C)(C)C)COC2)c(Br)c1=O 2120310577 NIXKUXKIOMXGDV-UHFFFAOYSA-N 427.299 1.592 30 10 IDEE CC1(C)OB(c2cnc(N3CC[C@@H](S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2123306073 PGXNEXQPHSKRHP-GFCCVEGCSA-N 431.161 1.767 30 10 IDEE Cc1cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247831626 BCUZICDZXCRYMC-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC1(C)OB(c2nscc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247834640 ZAKHFSUZVYZTMQ-INIZCTEOSA-N 433.261 1.725 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255528106 WVJJNXNFBUVXBU-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE CC1(C)OB(c2cc(F)c(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2255543846 PJIONLAOFPJTOE-UHFFFAOYSA-N 434.170 1.767 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 2255604952 OEQARPRTULGVNN-KBPBESRZSA-N 437.346 1.840 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626285 DIAJPUKRAASPSP-ZSEKCTLFSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628318 GLKQZUYUKUXMCS-HXUWFJFHSA-N 438.309 1.788 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H](F)C1 2255633073 VYSMBUCYMPCUFM-OLZOCXBDSA-N 438.309 1.786 30 10 IDEE C[C@@H](O)CN(CCNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255653831 OMJXHWJPDVANDH-CQSZACIVSA-N 438.330 1.927 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2255826937 FMTAZDBFQCXYPQ-AEGPPILISA-N 432.330 1.837 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256912759 XVLONVNSVDHKNQ-MRXNPFEDSA-N 428.298 1.024 30 10 IDEE Cn1nc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)cc1B1OC(C)(C)C(C)(C)O1 2267132593 RKDQYJNVTSFXFT-GJZGRUSLSA-N 446.357 1.562 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)O 2269069059 UNULORUTJGNGIZ-RHSMWYFYSA-N 443.309 1.508 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(NC(=O)C(F)(F)F)CC1 2270601747 VVOYSERKKLUWBN-UHFFFAOYSA-N 444.263 1.311 30 10 IDEE CCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cnc(N(C)C)nc1 2321876713 UEQXAWBVMWWRJI-UHFFFAOYSA-N 428.522 1.970 30 10 IDEE Cc1ccccc1OC[C@@H](O)Cn1c(NN=Cc2cccnc2)nc2c1c(O)nc(=O)n2C 2327753869 JTVPXXWZJMPXNN-INIZCTEOSA-N 449.471 1.425 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCOC1CN(C(=O)OC(C)(C)C)C1 2337062584 PYJKRWOPTXMCBS-UHFFFAOYSA-N 449.357 1.690 30 10 IDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1C(=O)OCC 10063380 UPFMGXXSILFVAW-UHFFFAOYSA-N 432.502 1.585 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#CCOc2ccccc2C(N)=O)cc1 90743810 RTOLUCUCSFNPAA-UHFFFAOYSA-N 443.525 1.628 30 10 IDEE CCOc1ccc(C2=C(N3CCN(CCO)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 169996433 BKYDTXXKHMWXEL-UHFFFAOYSA-N 446.507 1.851 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 254614971 JYZYYGUCDGBFJQ-SWLSCSKDSA-N 440.499 1.314 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 426765464 OMCDFEORXAVYIP-LJQANCHMSA-N 439.589 1.880 30 10 IDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 441648442 PRLGIIUUPWNTLN-HNNXBMFYSA-N 432.546 1.973 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(c2cnccn2)CC1 460787115 OPBMKPKJNXAFJD-INIZCTEOSA-N 431.566 1.652 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H]3CCC[C@H]3[C@H]1C(N)=O)CCCC2 469835796 GJGZRQFVJSLJKY-FSTVOOFJSA-N 439.560 1.942 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C[C@H]1CCCO1 477443502 MXJBGDCZMSCGTJ-CQSZACIVSA-N 447.582 1.578 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501529503 SCFVFAQXYAOPDJ-PMACEKPBSA-N 447.539 1.923 30 10 IDEE Cn1c(O)ncc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1=O 503270017 QHHXSWSKXUXJMA-OAHLLOKOSA-N 432.278 1.271 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)cc1 503628122 XPYHBPZIXAQXMQ-UHFFFAOYSA-N 448.545 1.070 30 10 IDEE C=CCOc1cccnc1C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506841245 IAGCOXJTJPARAD-GOSISDBHSA-N 438.532 1.642 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(Br)cc3)n2C)CC1 507930861 NMYKKAXMACGDMQ-UHFFFAOYSA-N 449.353 1.581 30 10 IDEE CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 508951302 QSYBDGLNGCJKOF-UHFFFAOYSA-N 430.486 1.649 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 514307471 VTOKYVFXCOEJIP-SFHVURJKSA-N 441.553 1.515 30 10 IDEE C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCCC1=O 527258145 XMUWOHWOPFPTTB-MRXNPFEDSA-N 432.546 1.476 30 10 IDEE C[C@@H](CCO)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 540686888 DYXXBTWQCJHIHW-KRWDZBQOSA-N 434.562 1.763 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)N3CCC[C@H](C(=O)O)C3)CC2)c(F)c1 548549549 IUBYJXPEUBOAME-ZDUSSCGKSA-N 442.444 1.059 30 10 IDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 549025099 XYWYABCTKLKGAM-KRWDZBQOSA-N 442.545 1.542 30 10 IDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 555257311 OACWZQXNCXOYIY-UHFFFAOYSA-N 436.476 1.850 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N 604000153 SDQJWASORSGLCT-UHFFFAOYSA-N 448.479 1.175 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)NCCCN3CCCS3(=O)=O)ccc21 615858323 HHMDVEARMWMAGM-UHFFFAOYSA-N 433.534 1.817 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCC(C)C)C1=O 726404305 VUIIWNJUVVULIU-QKDOTCOFSA-N 440.591 1.706 30 10 IDEE N#Cc1cnn(CCOC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c1N 731772087 RQJYCKANPHBIBP-UHFFFAOYSA-N 432.234 1.329 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 732788856 GWTGCSIBWLTZSR-LJQANCHMSA-N 429.473 1.615 30 10 IDEE COC(=O)[C@H](OC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)c1ccc(C#N)cc1 740199449 PTFVWUFBSUCXKQ-GOSISDBHSA-N 432.454 1.888 30 10 IDEE C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 744546768 SOUKWGLBQZLWHN-IUODEOHRSA-N 443.319 1.283 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 746108252 KXLJQEJSYAWDKY-QURGRASLSA-N 440.544 1.790 30 10 IDEE N#Cc1cccc(NC(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 746750342 PFHVCWPKEIZBSN-OAQYLSRUSA-N 432.436 1.516 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)c[nH]1 753359402 RJURMWZKTCDWKL-HNNXBMFYSA-N 441.509 1.076 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)c3cc(Br)ccc3oc2=O)CC1 755087776 YFQDWZBVIQRTMA-UHFFFAOYSA-N 448.317 1.924 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccnc1S(=O)(=O)C(F)(F)F 757439959 VSLIEXWSUGFDEN-NSHDSACASA-N 440.407 1.388 30 10 IDEE C#CCN(C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 774196314 ZSEOZKAFJPQULI-FQEVSTJZSA-N 433.574 1.739 30 10 IDEE N#CC1(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CCN(Cc2ccccc2)CC1 778109775 AHORONHGAYGMBH-OAQYLSRUSA-N 430.512 1.781 30 10 IDEE N#CC1(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CC1 797780560 QEGWWOWLOLIIIH-UHFFFAOYSA-N 428.308 1.504 30 10 IDEE C#CC[C@@]1(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 804692268 JEYVLZCFTGLFSZ-JXFKEZNVSA-N 427.567 1.710 30 10 IDEE COC[C@@]1(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCN(C(=O)OC(C)(C)C)C1 811061668 YYJRKTGTNCGJSN-JOCHJYFZSA-N 429.521 1.875 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 812179419 NMDJIXKVQNKPRK-JKSUJKDBSA-N 434.541 1.830 30 10 IDEE COC(=O)C1=C(CN2CCN(c3ncccc3C#N)CC2)N(C)C(=O)N[C@@H]1c1ccccc1 914583649 SPACRDZFYIPKOE-OAQYLSRUSA-N 446.511 1.899 30 10 IDEE COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1125700352 BAOLSJKXZKYGIL-GOSISDBHSA-N 435.484 1.167 30 10 IDEE Cn1cc(C(=O)N[C@H]2CCN(O)C2=O)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1141380114 GSRBAVCFBAFELH-AEFFLSMTSA-N 441.488 1.656 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F 1142612287 KXIMTTKCJGXTNS-OYLHUBKDSA-N 436.390 1.539 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2cnn(-c3ccccc3)n2)s1 1147667381 KHKKVCQVGDFAEQ-UHFFFAOYSA-N 431.543 1.994 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C\c2ccc(OC)cc2)c2cccs2)CC1 1152967562 LJYGLPGDQNKAPY-MNDPQUGUSA-N 445.566 1.909 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1 1157113326 IZUWFOUTAVLHIV-HXUWFJFHSA-N 439.534 1.253 30 10 IDEE Cn1c(N2CCOc3c(Cl)cc(Br)cc3C2)c(C#N)c(=O)n(C)c1=O 1187833516 URCFEYAQSJABSC-UHFFFAOYSA-N 425.670 1.771 30 10 IDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 1190828177 FZUQLKVCHPHIIM-UHFFFAOYSA-N 430.486 1.188 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(N(C)C)CCSC1 1286281869 JKRKOWCDIXBETF-IERDGZPVSA-N 437.577 1.816 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(CC(F)(F)F)C1 1286414911 FVVVRFNHLFMMOY-BZSNNMDCSA-N 439.482 1.959 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286509129 VTHDNIBPVBSORB-FIKGOQFSSA-N 433.578 1.540 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1286787369 UDIQDOQJIXNHCD-UHFFFAOYSA-N 447.543 1.859 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 1286788275 TUUNDAILZCUGRQ-INIZCTEOSA-N 445.545 1.054 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286814963 JBCAARAHYKMEPP-SJLPKXTDSA-N 445.545 1.269 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286833307 ZDBTVRFFBANENS-QGZVFWFLSA-N 442.593 1.941 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1288999221 KQMFVQZQIIAWSH-ROUUACIJSA-N 435.488 1.372 30 10 IDEE Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290809432 SGAOBXFEOWSFGZ-HNENSFHCSA-N 441.467 1.695 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)C[C@@H](C)O1 1290836934 IAASDBHCTJGNQC-WSTZPKSXSA-N 434.562 1.257 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1300310721 YZTGCCQVKNKRHP-PKOBYXMFSA-N 431.562 1.734 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300486746 AJNQYKFDTVLFLY-BCOMRZATSA-N 447.586 1.268 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300495855 KDBOLILQQVDUNZ-PMACEKPBSA-N 449.621 1.878 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1300496025 MXXWKEVCEHETQX-MSOLQXFVSA-N 438.594 1.862 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1300686226 YKDSBAZCYUNAEX-NZQKXSOJSA-N 430.597 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1300725643 IVXLKPASJKMNBH-PZJWPPBQSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cs2)CC1 1300767753 FQOOUZPTZJWZAI-UHFFFAOYSA-N 445.618 1.858 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1300872658 GSBWUZRCCFWSOO-ZWKOTPCHSA-N 432.569 1.702 30 10 IDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301049631 CADSWLOGMVHJFK-MRXNPFEDSA-N 429.974 1.614 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(N)=O)C1 1301576389 DBOYSJXBLWNFEH-AWEZNQCLSA-N 438.941 1.296 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1301596182 JXNPUOWMYRABHT-MPGHIAIKSA-N 427.502 1.045 30 10 IDEE CC(=O)Nc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1301777958 GJCFGZDCXQNZOW-GOSISDBHSA-N 446.471 1.661 30 10 IDEE C=CCCC[C@@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1303686024 MHLKZLHFXUHMBU-LSDHHAIUSA-N 432.539 1.425 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1313557323 FWKSSESMXYSCLX-IBGZPJMESA-N 437.548 1.882 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1316140702 PGSLSFHWCBKYRU-FQEVSTJZSA-N 440.548 1.924 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 1358956844 LKUZMLWYWAEJGR-GOSISDBHSA-N 425.518 1.355 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1358963461 ILCLEEDTTHNNNP-ZWKOTPCHSA-N 432.521 1.905 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C(N)=O)nc1 1358974245 WQNKUNNIZZYQQA-UHFFFAOYSA-N 430.468 1.577 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1359000402 UQRMIRQNGYRKOL-ZACQAIPSSA-N 440.614 1.236 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)N(C)C 1359023142 AURALYRPZRTATF-UHFFFAOYSA-N 437.504 1.548 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1359032027 YPSSRSUXSKESLB-UHFFFAOYSA-N 438.557 1.539 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCCC2)CC1 1359046172 HHHMPSKOAXBAFG-UHFFFAOYSA-N 435.576 1.716 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](n2cncn2)C1 1359048700 ZRAAAYLPEMVMDB-KRWDZBQOSA-N 430.582 1.996 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359102064 VVTUWJHFNOBPTG-LAUBAEHRSA-N 443.552 1.879 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cs2)CC1 1359226986 QJZQDDUCUNFIGY-MRXNPFEDSA-N 431.566 1.913 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H]1C(C)C 1359240462 OVTSFBQWHOQVHV-ULQDDVLXSA-N 427.571 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C)C1 1359326489 BFTULVHXXVJULS-HUUCEWRRSA-N 434.522 1.140 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCC)CC1 1359330280 MWVSGNMQKIJISW-UHFFFAOYSA-N 434.566 1.617 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1360339331 SJJISNOADAXOQT-IWMITWMQSA-N 434.516 1.675 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1435459764 KQGMCYSNZYLPIW-IECFSIQFSA-N 444.532 1.887 30 10 IDEE C=CC(C)(C)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1449454270 MKECIIIMSKMOKA-CYBMUJFWSA-N 435.468 1.946 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1=O 1456272371 DCISYLIJJOWORD-WOJBJXKFSA-N 440.544 1.803 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](N3CCCC3=O)CC2)CC1 1460238426 FKJAYTHCCFSKDE-OALUTQOASA-N 429.590 1.934 30 10 IDEE CCOC(=O)[C@]1(C)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1460665787 SGWNEXLHFKBZTE-KNQAVFIVSA-N 432.496 1.189 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@@H]2CCCO2)CC1 1460858191 GLNVVXYJJRFNAP-FDFHNCONSA-N 430.524 1.804 30 10 IDEE C=CC[C@]1(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 1461156598 AWZQSVNYWCEWEA-VQTJNVASSA-N 428.551 1.748 30 10 IDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3ccc(OCc4ccccc4C#N)cc3)C2)cc1=O 1472120145 AZKBBDQBLHXMKO-LJQANCHMSA-N 445.479 1.945 30 10 IDEE C=CCCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCCC1 1478966172 MEQOXZZMIOHYPJ-UHFFFAOYSA-N 438.550 1.921 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCCC2)n1CCOCCCO 1494138351 XJADZFLUYRKESL-QGZVFWFLSA-N 440.552 1.711 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1501194469 MLMIIHQHNLVDPR-YLJYHZDGSA-N 437.548 1.500 30 10 IDEE CCn1cc(CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1502223703 GZAQWSRVEUOACE-VXPUYCOJSA-N 426.525 1.856 30 10 IDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1504600131 WQTJANBEFRLURG-UYAOXDASSA-N 428.512 1.960 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1505034808 GXZLYLDEXWQXKP-GOSISDBHSA-N 428.493 1.059 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2CCOCCCO)c1 1505317258 KMUXKICCDOJCOK-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)(F)F 1507712456 YVAUNOYDZPAIOZ-UHFFFAOYSA-N 445.392 1.912 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1507719037 KJHVOBBPEXMKOR-OFNKIYASSA-N 430.597 1.416 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507727220 OXSZIDKLDUBLJT-LEWJYISDSA-N 439.560 1.769 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1507916202 LVWUWQNGUKTBQM-SJLPKXTDSA-N 432.594 1.959 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1512603602 NLTDUGVNHANQKP-SFHVURJKSA-N 434.508 1.389 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1515676075 LDEATDRDJWXPIE-JLUOLNIDSA-N 437.504 1.872 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1517614158 CFUUZQBWPKADEK-UHFFFAOYSA-N 449.462 1.819 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1539216454 SFSFNSFLRZGROH-BXWFABGCSA-N 446.577 1.509 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1C 1539370350 VWWIBBCDAQNYMK-LJQANCHMSA-N 449.552 1.761 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)C(C)(C)C 1539420761 KPHDHLMUNPSTFL-UHFFFAOYSA-N 436.582 1.439 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1539526145 KGAQTRYFKZPMET-UHFFFAOYSA-N 442.545 1.322 30 10 IDEE C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2nnn(C)n2)CC1 1539830160 PCXUOCKMEIZPFZ-UHFFFAOYSA-N 427.900 1.590 30 10 IDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)C(=O)C1 1539990436 JZTABFXZSFLVTD-UHFFFAOYSA-N 437.508 1.182 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539998717 OAVZIKSUYBSCAD-IEBWSBKVSA-N 443.596 1.765 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1540868782 RLBALTKAISSRLO-UHFFFAOYSA-N 443.515 1.231 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1540870454 NSASNHUHPZTQLE-QGZVFWFLSA-N 427.505 1.882 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1541123021 JNEAFZXZKWUCPT-MDZRGWNJSA-N 447.561 1.880 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nnc(O)n3C2)cc1 1542161975 ZDIISLCABROTPL-OWBBVQPASA-N 446.533 1.778 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCCNc1ccc(C#N)cn1 1543449534 IERMTDATRVRKNP-JMGFVUJMSA-N 435.406 1.467 30 10 IDEE CCc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cs1 1546371841 AZKACGRCSGMYIZ-HIFRSBDPSA-N 436.563 1.171 30 10 IDEE CCn1cccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1=O 1547627508 XQHIXSCJXGZFFX-FCHUYYIVSA-N 444.511 1.991 30 10 IDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1547631956 DQPWCQKDWMUKRH-UHFFFAOYSA-N 435.492 1.057 30 10 IDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1548236164 ZWCCFXXDIALGQM-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1[C@@H]1C[C@H]1CF 1555664550 OMQYCHSYJDLSDM-XLMAVXFVSA-N 444.515 1.909 30 10 IDEE COCCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1555686313 MUHTWOPPBJMWAU-OALUTQOASA-N 427.505 1.974 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1555741150 LLYLUAMWAKCKNN-WMZOPIPTSA-N 439.520 1.674 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555802353 GNJUAYSZDZVCSL-KRWDZBQOSA-N 431.566 1.665 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1557387310 TYPKHBXHWBNLBJ-QHSLDKKCSA-N 439.512 1.593 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1557520583 AYEXRZAQLDDFSD-JOCHJYFZSA-N 449.552 1.461 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)c1 1557998480 LNAGIFWPVLZPOT-UHFFFAOYSA-N 425.510 1.778 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccnc21 1558510919 HLPJQWYPBKIOME-RBZFPXEDSA-N 432.502 1.390 30 10 IDEE N#Cc1cn(CCNC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)c(=O)nc1O 1563819077 GUZHVYKAOBMPMO-UHFFFAOYSA-N 429.440 1.659 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccn3nnnc3c2)CC1 1565661481 DZVJJECGWWBLQF-MRXNPFEDSA-N 426.278 1.909 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1 1585196436 CGUKDUSIZFULPA-UHFFFAOYSA-N 425.507 1.174 30 10 IDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NC(C)C 1588433712 SBCUZUBTXFIRNN-UHFFFAOYSA-N 437.592 1.627 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOc2ncccc2F)CC1 1588913819 RDKWDOIWZPDUSU-UHFFFAOYSA-N 449.490 1.919 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCC 1589216495 QFRFAQAKLQJDFV-PWIZWCRZSA-N 439.582 1.154 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1589482102 GFMZKXGCNIIJQL-WCXIOVBPSA-N 432.525 1.332 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1595500658 ASAWMIFKJHGWEY-HXUWFJFHSA-N 437.548 1.666 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595556684 YYGNEBMERZFJEB-GUYCJALGSA-N 430.459 1.164 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1616910545 FTVIHYWINWBZAK-ZHRRBRCNSA-N 444.511 1.692 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)c2c[nH]nc2I)CC1 1624793427 DGIDMBUKNHUSPS-UHFFFAOYSA-N 425.205 1.987 30 10 IDEE CCS(=O)(=O)CCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1626515624 TUNVQFRWFBYEDP-OAHLLOKOSA-N 429.564 1.081 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(CN(C)C)CC1 1630938592 AHOWFJLMWIILIH-KRWDZBQOSA-N 436.578 1.055 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)CC1 1632623609 GJQJVCQVZJCDHW-UHFFFAOYSA-N 446.552 1.249 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1634790519 XJFHAYAYEUNHSF-UHFFFAOYSA-N 440.474 1.158 30 10 IDEE C=CCn1c(SCC(=O)NC[C@@H](O)CS(C)(=O)=O)nnc1-c1ccc(Cl)cc1 1639792839 CHYPWRPDMHMIPV-CQSZACIVSA-N 444.966 1.398 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1640084659 DJSSLOASSMTFSX-ZBFHGGJFSA-N 428.489 1.662 30 10 IDEE CNC(=O)c1cc(O[C@@H]2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)ccn1 1643647237 HRMZIOXVMNOZSI-GOSISDBHSA-N 432.480 1.584 30 10 IDEE C#CC[C@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1675618740 WPNYEJSMTLKBOQ-MRXNPFEDSA-N 438.550 1.323 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)CC1 1676211655 ZMMOQXAEFNNLTC-CYBMUJFWSA-N 440.476 1.287 30 10 IDEE N#C[C@@]12CN(C(=O)NCCc3cnc(SC4CCCC4)nc3)C[C@H]1CS(=O)(=O)C2 1682747874 JSBWCRNBMMVWHL-KXBFYZLASA-N 435.575 1.634 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCS(=O)(=O)N(C)C)c1 1689868481 HZMAJCNGNJFZFR-MRXNPFEDSA-N 446.577 1.739 30 10 IDEE C#CCCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1689940697 AQRZNWKOQYQVTO-XUZZJYLKSA-N 444.624 1.948 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1690042994 LBOKGBGDKZXTAD-UHFFFAOYSA-N 436.541 1.788 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)c2ccco2)CC1 1690130143 AQWNOYITFMPRME-UHFFFAOYSA-N 448.527 1.678 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690219771 KSQBVWMKCSXYMQ-ZNMIVQPWSA-N 442.358 1.873 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1690432841 MVDIMTAXROEXDU-SJORKVTESA-N 441.598 1.829 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1690464539 DRIVWSHUPNPBRD-HOTGVXAUSA-N 429.612 1.909 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690658966 FRAZFSYGZBQZKZ-HUUCEWRRSA-N 434.566 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnn(C)c1C 1690665418 CLALKDVYBSGXEV-UHFFFAOYSA-N 437.504 1.697 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1690670363 AFBDQLZLVDSQNP-OAHLLOKOSA-N 446.581 1.215 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCNS(C)(=O)=O 1693512631 RFXLJQOVBXEZIM-UHFFFAOYSA-N 437.957 1.378 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@H]1CCOC1 1694735516 RWCHNTBZOCWLLQ-LJQANCHMSA-N 425.537 1.877 30 10 IDEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1OC 1696116330 FJHMIADVUWPFAI-VXKWHMMOSA-N 444.511 1.861 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c(OC)c1 1697381006 BILRUFUQVFKGMQ-GVDBMIGSSA-N 429.477 1.231 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCCn2cnnn2)c1 1705507398 ZYCQYPYANSUANK-LJQANCHMSA-N 449.519 1.653 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705581187 VEHROMMBCOWOEP-OALUTQOASA-N 436.516 1.277 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1Cc1nncn1C 1705623182 IYIQRORNIYCGQQ-UHFFFAOYSA-N 430.310 1.970 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](C)OC)CC1 1705634035 GYIOHBZCFVGETQ-MRXNPFEDSA-N 429.521 1.761 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2ccc(OC)cc2)CC1 1705638835 YLDKORXQHBAGOF-FQEVSTJZSA-N 436.560 1.971 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)CC(F)(F)F)CC1 1705640875 JMVCTIIAEKHFRN-UHFFFAOYSA-N 435.498 1.903 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)CC1 1705739999 YQDTYGNRWKQELB-UHFFFAOYSA-N 432.550 1.564 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1705786296 KVAAZKFPRHEMIS-KUHUBIRLSA-N 426.587 1.453 30 10 IDEE C=CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705824421 PPEIXBBYPVUARW-HRAATJIYSA-N 432.525 1.369 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705898553 PHQDNSRHFIFMMM-CQSZACIVSA-N 445.911 1.123 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](CN(C)CCC)C1 1705901888 ZEZZDWHRWVGPHB-MRXNPFEDSA-N 443.552 1.476 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(F)c1F 1706889275 FEEBBQXCJRLZCV-OCCSQVGLSA-N 440.476 1.138 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)CC(=O)N1C 1708182836 QUBFRZMPBFQALN-IEBWSBKVSA-N 438.532 1.927 30 10 IDEE CCOCCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710791903 NOPJKEGBWXQQEY-UHFFFAOYSA-N 439.520 1.866 30 10 IDEE COC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1711448558 SQEKAGPAEDNXFS-HTXNQAPBSA-N 439.476 1.189 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCS(=O)(=O)C1 1722294534 XHJUDJOYHFOLGC-YCRPNKLZSA-N 441.513 1.608 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 1722316895 NYQASUJWYWCYRL-MSOLQXFVSA-N 439.582 1.277 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CCCCC1 1722350495 BIYOPKOELOVCAB-XLIONFOSSA-N 439.582 1.012 30 10 IDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722412856 PTEKSKXDHIXZNP-WOJBJXKFSA-N 442.589 1.928 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1722425101 MQXDCDZMIYZNHW-UHFFFAOYSA-N 431.504 1.906 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC(=O)NC)CC1 1722444792 NVCAMGKFMSSCKS-FQEVSTJZSA-N 436.560 1.922 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1722522416 OMBGZWMJDXISOG-KRWDZBQOSA-N 448.524 1.455 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2=O)cc1 1722631099 CUCMPXYXPSFJJT-MRXNPFEDSA-N 446.577 1.681 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1722669526 VFTRTHOWOJIBHP-UHFFFAOYSA-N 442.545 1.805 30 10 IDEE C=CCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722690254 CLAIJCQTUSHLRW-VQIMIIECSA-N 427.571 1.270 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722693189 GHKAPXAMCVVLOA-INIZCTEOSA-N 443.508 1.312 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C)C1 1722693324 KCGCTVPVVVEMJF-INIZCTEOSA-N 446.577 1.734 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@]2(CCO[C@@H]2C)O1 1726666906 QSUMZBBXHSXBPS-PMAPCBKXSA-N 441.532 1.988 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1Cc1ccc(C#N)o1 1727226932 DXGDKDXIEBKKKN-MRXNPFEDSA-N 427.509 1.230 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1729227317 HBWRKOXQMZBRBJ-GOSISDBHSA-N 440.476 1.377 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCCO)c2ccccc2c1=O 1729604627 WUOOEDPNMFNLIU-MRXNPFEDSA-N 437.504 1.473 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCN2CCSCC2)c1 1731178556 AMQUTPZHTNTRDU-GOSISDBHSA-N 439.589 1.957 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740580522 AMWDHYJGHUNIIV-LAUBAEHRSA-N 431.562 1.708 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740625664 OUVFFTRXRJOZQA-RTBURBONSA-N 427.530 1.236 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740636408 YWLVCSCGRBBICV-OALUTQOASA-N 440.573 1.561 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1740698030 PVBVXSBNOWZYAI-QHCPKHFHSA-N 438.532 1.196 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(N)=O)C1 1740750325 BHFAVNLAYBLRRW-NUJGCVRESA-N 432.569 1.879 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1741129982 IZRBIUFVZVERJK-FRFSOERESA-N 427.484 1.308 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1748816331 ZCMAOGXSWGBNQZ-IBGZPJMESA-N 447.605 1.965 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749031986 QBLPNSXOEIEYQW-INIZCTEOSA-N 434.591 1.472 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1749115084 LBHMKJXMNVRONJ-OALUTQOASA-N 442.568 1.906 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749143930 OVTRIRNQNWDMSD-UXHICEINSA-N 442.582 1.271 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC[C@@H]1C 1749220092 AYIINSVMBJYRTA-MAUKXSAKSA-N 448.549 1.139 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749670934 XKDULCZZXOVDEO-ROUUACIJSA-N 430.553 1.217 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1749772219 CPWYBDBOCWZCHH-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCCNC(=O)C(C)C)C2 1751863131 YRWDMFRDSYCMAH-UHFFFAOYSA-N 433.520 1.899 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1760217718 KETMRIQVYGNBHR-INIZCTEOSA-N 444.337 1.741 30 10 IDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1760510832 QKUJTBCSZGYIAW-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760557012 XGTLUYFTDCGOKO-NZSAHSFTSA-N 431.562 1.726 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760557433 LODIUJLIHKHTMF-KRWDZBQOSA-N 447.561 1.167 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)COCCO1 1761037150 VEISMZDFXGKFKY-JOCHJYFZSA-N 425.537 1.875 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1761544520 GACBQJJZEJNDQA-BDIWWCJBSA-N 446.515 1.920 30 10 IDEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1765618894 YRXHLUWSDYMLEK-CKJXQJPGSA-N 434.516 1.750 30 10 IDEE CCOCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1766520176 VVABVEUYMRURTN-INIZCTEOSA-N 437.504 1.737 30 10 IDEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C#N)CC2)n1 1769046007 KOTDHORXXNXKIG-UHFFFAOYSA-N 430.314 1.963 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1769094046 BCJQOBOQNGHTNP-LJQANCHMSA-N 448.531 1.691 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CC(=O)NCC(F)(F)F 1769843353 HKOAMLNIOKXJAS-UHFFFAOYSA-N 425.415 1.694 30 10 IDEE COc1nc(=NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c(C#N)c(C)[nH]1 1851204364 SAYMWBNUJJQIEY-NSHDSACASA-N 430.262 1.841 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3nncn3-c3ccccc3F)CC1)OCO2 1852383217 KRATWQNJUZNSPR-UHFFFAOYSA-N 448.458 1.894 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3O2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854644698 LPIVLFJERSPDEJ-IFXJQAMLSA-N 425.466 1.310 30 10 IDEE COc1cccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)cc2)c1 1854721992 DCZAZKWCHSJFPR-OAHLLOKOSA-N 427.482 1.888 30 10 IDEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870523811 GCFRQRJNFVNDNU-KRWDZBQOSA-N 434.537 1.602 30 10 IDEE CN(C(=O)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1)C1CN(c2nccnc2C#N)C1 1891246116 ZXGOQSVZMGTYAK-UXHICEINSA-N 449.540 1.238 30 10 IDEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CC(COc2cccnc2C#N)C1 1891422106 HABXEPVEPHVDGA-UHFFFAOYSA-N 435.415 1.798 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 1993665481 GLKIBLXJRVWAJT-HNNXBMFYSA-N 425.526 1.639 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 2023459211 ATWQSJPYSSHAMF-HNNXBMFYSA-N 440.541 1.919 30 10 IDEE CCCn1nnc(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2194930920 SLPZFIVHSJMNJT-STQMWFEESA-N 442.362 1.895 30 10 IDEE Cc1c(C(=O)NCCNC(=O)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2243387379 SRLVHKDDFGBRGV-UHFFFAOYSA-N 442.325 1.684 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405794 WYFVKUUXCASYKO-RISCZKNCSA-N 441.359 1.333 30 10 IDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248416277 PRFHTTKFPUWLON-LBPRGKRZSA-N 441.359 1.598 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255539055 UHAQXMGWQLFTIW-GJZGRUSLSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CC(C2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C2)C1 2255827061 UXOLZSAOITYDOR-UHFFFAOYSA-N 432.330 1.648 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256616803 DVENYDFGJSHKAB-RHSMWYFYSA-N 434.342 1.876 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C1COC1 2256640433 SKOIOKUCOMKQRG-MRXNPFEDSA-N 433.314 1.859 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267113695 XQZMYBVCIZSIRO-CHWSQXEVSA-N 447.345 1.052 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267159160 HKVAZRXFVMTZBD-PEBXRYMYSA-N 446.357 1.767 30 10 IDEE CO[C@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2267266435 PMJUNGCNZBJATO-IRXDYDNUSA-N 447.341 1.745 30 10 IDEE CCn1cc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2267491970 LXIARZQSZSNLGA-JLCFBVMHSA-N 446.357 1.941 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CC3)n1 2267503195 ZGXBDPISVNYLCX-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2267813303 OJCMJQRTZALHIM-UHFFFAOYSA-N 440.305 1.785 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267874939 BXLAECIAJZNVHC-KKUMJFAQSA-N 444.341 1.761 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880472 BAAYTSYEBPTLOT-UONOGXRCSA-N 448.329 1.045 30 10 IDEE N#CCOc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2286049541 PTSMBRADNHZDBW-QGZVFWFLSA-N 433.442 1.710 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2298460702 MGPGKIIHZLNRIH-SDDRHHMPSA-N 436.343 1.453 30 10 IDEE COc1[nH]c(=NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2339787659 DBMJKCHJXICJPB-DEOSSOPVSA-N 439.365 1.860 30 10 IDEE COc1[nH]c(=NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339788322 NBAPAKXOQNOSSC-HOCLYGCPSA-N 449.357 1.451 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccccc1Cl 72443774 QTGZPMPNWXVWKK-GXTWGEPZSA-N 426.864 1.349 30 10 IDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1 254350555 OJIJMSMYZDCBJK-DZGCQCFKSA-N 442.515 1.560 30 10 IDEE CCOC(=O)c1c(NC(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)c(C#N)cn1CCOC 432416840 IVYHEOPXMVVJJZ-KKSFZXQISA-N 434.493 1.985 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)c1ccc(C#N)c(Br)c1 433095646 FDIBIIYRZBSBKL-MRXNPFEDSA-N 443.367 1.542 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)CNc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 435970107 IADPUDXYUOYSGP-OAQYLSRUSA-N 429.498 1.968 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 461475328 XXCOITZMXMNJGY-GOSISDBHSA-N 428.533 1.403 30 10 IDEE C=CCCCNC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 468391215 BZIKIKHLXKIHSC-LJQANCHMSA-N 437.562 1.544 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478759983 ZIQSDKYLVLSVOR-KRWDZBQOSA-N 443.573 1.141 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482553945 GYPPDFSZJYXDPY-ZDUSSCGKSA-N 428.539 1.051 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 508834388 UIECMNLXCUMVOX-ICSRJNTNSA-N 441.532 1.977 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 508835433 ZYIICZNNEHPKTR-FQEVSTJZSA-N 440.548 1.930 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccc(F)cc1 514917992 OGDYHLGWJWIUCY-UHFFFAOYSA-N 427.432 1.435 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC1 531043052 AMMWWHRFPHZLIM-SSEXGKCCSA-N 426.498 1.571 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)Nc3ccccc3F)CC2)c1 535216061 NQBKQFFHHBGMOQ-UHFFFAOYSA-N 430.505 1.727 30 10 IDEE CO[C@@H](C)c1noc(CN(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 537250292 BCBMYJPFQNNZIR-YJBOKZPZSA-N 430.484 1.757 30 10 IDEE CCOC(=O)c1cnn(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1C#N 541835377 LGKCNSZQMDEYFO-UHFFFAOYSA-N 425.493 1.502 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](S(=O)(=O)NC4CCCC4)C3)cc2C1=O 541937048 GEADMNMUSSGHRI-KRWDZBQOSA-N 445.541 1.935 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCC(=O)N(C)C)CC1 549693896 VRNXPGBOWPHENH-UHFFFAOYSA-N 445.593 1.446 30 10 IDEE CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 549817109 APJXEDHQCBAORD-GOSISDBHSA-N 432.550 1.775 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1Cc1ccon1 611917496 ZCVWAVMEWSXRJS-UHFFFAOYSA-N 445.504 1.522 30 10 IDEE C=CCOCCNC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 679630993 ZTJUZUKHTSYDSV-UHFFFAOYSA-N 425.327 1.917 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H](C)CN2CCN(C)CC2)C1=O 730137088 CRILUUGIRLBCTA-YJBOKZPZSA-N 428.562 1.262 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 731901718 JVZIFQLLYLCHCV-UHFFFAOYSA-N 428.470 1.789 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)CCN1C1CC1 732647928 MOZUNEACEFSJFZ-YHBROIRLSA-N 438.576 1.190 30 10 IDEE C#CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 733246930 WBGHBMCHPMACHY-UHFFFAOYSA-N 448.282 1.065 30 10 IDEE COc1ccc(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1C#N 746876603 CIAPZCVNRSIGIH-UHFFFAOYSA-N 431.250 1.089 30 10 IDEE COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N 747613730 FBYGCMCSUJVYQW-UHFFFAOYSA-N 431.470 1.323 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)ccc1F 752520878 XKVRLZIBVNQOKV-INIZCTEOSA-N 448.501 1.759 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 755093231 RZEKGOOBTAJLFS-KRWDZBQOSA-N 428.489 1.238 30 10 IDEE CN(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757471479 RFTPVBCHISMXKM-NRFANRHFSA-N 435.480 1.660 30 10 IDEE N#CC1(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCN(Cc2ccccc2)CC1 778110491 JQQIVIVJLNUAKJ-UHFFFAOYSA-N 425.514 1.159 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 782574825 SZKCUVUGRSNWAO-UHFFFAOYSA-N 425.388 1.953 30 10 IDEE C#CCN(C(=O)c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 783354279 BRYDEJVFRBXVFK-MRXNPFEDSA-N 440.447 1.916 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)Cc2cnn(C)c2)n(-c2ccc(F)cc2)c1C 786865752 VGTWNLKFTZHYCF-IBGZPJMESA-N 439.447 1.924 30 10 IDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@](C)(O)Cn2ccccc2=O)n1 790526050 SXUMOMGGIMWKOV-GOSISDBHSA-N 432.531 1.352 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 804452129 CZGQSGNKUIUPLO-MHTWAQMVSA-N 430.570 1.847 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@H](CO)c2cccnc2)cc1 806220201 VIJCHSICDZZZBE-PWEHGMCJSA-N 431.518 1.792 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 812180198 SZONLSTXHBFPOD-UHFFFAOYSA-N 442.520 1.576 30 10 IDEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 837841523 CAVHFUBTILHLMI-KRWDZBQOSA-N 449.536 1.273 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)ccc1F 1128964788 SZWWIWVETMGTCZ-GOSISDBHSA-N 430.523 1.331 30 10 IDEE Cc1cc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc(C)c1C#N 1140384010 JYOZVSYJOGHANG-SFHVURJKSA-N 434.544 1.752 30 10 IDEE COc1cc([C@@H](C#N)NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)cc(OC)c1OC 1142684910 CUQVBDOWZZBYHL-HZPDHXFCSA-N 448.520 1.944 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(OC(C)C)CCOC1 1156353169 QFWGGLZZGRESQF-UWJYYQICSA-N 437.562 1.984 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1 1213679572 FHOYOLPWEOBXCO-ZCNNSNEGSA-N 435.546 1.039 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1255256251 QDHDSUHZTXLXQN-HXUWFJFHSA-N 430.530 1.825 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](COC)OC 1286277339 YBQDEYNOKSEXSL-GOEBONIOSA-N 434.566 1.666 30 10 IDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1286324917 QWTPALDTLKWQGC-HXUWFJFHSA-N 444.580 1.304 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1286393122 JONWXSNPURHQML-RBUKOAKNSA-N 429.546 1.316 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286789416 GKMJMLBUICRMQU-SFHVURJKSA-N 443.596 1.056 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1286825181 MUTGKOSNGGJWCJ-UZLBHIALSA-N 442.582 1.535 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)n1 1290646219 GWWTWPOJLCZXSQ-WOJBJXKFSA-N 442.568 1.225 30 10 IDEE COc1cc(I)ccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1293033544 YZPNMTNJIQGDJS-PEZBUJJGSA-N 441.225 1.556 30 10 IDEE Cn1cc(I)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1297335890 SLVUBFQUBZDGNX-AWEZNQCLSA-N 449.252 1.427 30 10 IDEE COc1cccc([C@H]2CN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CCO2)c1 1300408081 PZDIKQLXHWPMCR-DCDYOYONSA-N 438.488 1.699 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300488020 OCOBJOHCGVKTCM-INIZCTEOSA-N 448.520 1.252 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1300488075 ONEIQASFVYXQNR-MRXNPFEDSA-N 427.534 1.299 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1300496393 QUUXPRJYJXEKKS-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(F)(F)CO1 1300675395 QKTVXRSJBIBVQP-CQSZACIVSA-N 439.488 1.780 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCO2)CC1 1300731665 GIRGRRJJYVDCMX-FHWLQOOXSA-N 431.537 1.147 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301509024 ZKYTUPYXRYJEPA-HOTGVXAUSA-N 429.550 1.183 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 1301527309 XKNZUYDRJRXLCH-PKOBYXMFSA-N 438.532 1.805 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1301528704 GAXUVSYEOLPZKX-SFHVURJKSA-N 440.548 1.992 30 10 IDEE CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1301768192 TVZCOTDBXQGEEX-UZLBHIALSA-N 425.537 1.903 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1302448370 PCRCBNPRLHHERZ-MRXNPFEDSA-N 447.517 1.617 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2Cc2ccc(C(N)=O)nc2)cc1 1302993301 BWDHHBVANGHUET-UHFFFAOYSA-N 433.472 1.498 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1316532712 UJEMYFWXRSRSON-XOBRGWDASA-N 445.430 1.426 30 10 IDEE C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 1343377891 NYSYWPTUWGQKGR-UHFFFAOYSA-N 446.577 1.529 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2nnnc2-c2ccccc2)cc1 1355745957 OWHHLCZQSLDTMW-PTGBLXJZSA-N 439.501 1.792 30 10 IDEE CCOC(=O)c1c(NC(=O)CCNC(=O)OCC(F)(F)F)c(C#N)cn1CCOC 1356400405 ICJZUWYJRRLDPB-UHFFFAOYSA-N 434.371 1.800 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358961080 RHOPFIPHIWNECN-KSZLIROESA-N 429.546 1.782 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1358992581 PVPQKCVCXWKWHV-OAQYLSRUSA-N 432.528 1.577 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2CCN(CCN(C)C)CC2)CC1 1359039329 DTVLQMHJBURKMR-OAQYLSRUSA-N 429.613 1.158 30 10 IDEE C#CCSCCn1c(N2CCC(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1359061576 GQULTGPKSIAUJN-QFIPXVFZSA-N 449.621 1.991 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359335399 KQPJBRYXLCNMEN-CALCHBBNSA-N 438.481 1.159 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)CC1 1443356963 LTUPRVYERHNGCL-OAHLLOKOSA-N 426.439 1.617 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)nc1C 1443507998 JNVBJJXBNDOSIK-NSHDSACASA-N 442.592 1.795 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)OCC 1449702565 XMBCALXHBSPSAV-XVGLWEHYSA-N 427.501 1.804 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CSC1 1453166959 ZDSHATUAGQJAOX-UHFFFAOYSA-N 436.555 1.436 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 1456101825 ZTFREBHWGMKVHR-AWEZNQCLSA-N 439.559 1.121 30 10 IDEE CN(Cc1ncnn1CC(F)F)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1459743639 QNTLWRIHQBYKAO-AWEZNQCLSA-N 431.403 1.278 30 10 IDEE Cc1cc(O)nc(N2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)n1 1460785988 AZTVEQYOKPWWFO-UHFFFAOYSA-N 433.434 1.799 30 10 IDEE C#C[C@H]1COCCN1C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1460817356 HCNZIRQFDMOCPC-INIZCTEOSA-N 428.514 1.017 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1463162768 GAIKDLOCQVEKRK-PLQHRBFRSA-N 425.304 1.712 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCCCC2)cc1)c1cc[nH]n1 1463773032 RRAUXTSATOFTJC-UHFFFAOYSA-N 427.505 1.996 30 10 IDEE C=CC1(CC(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1469698916 LLOQOSNAEVRJBF-UHFFFAOYSA-N 437.537 1.812 30 10 IDEE C#CCN(C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1CCN(C)CC1 1470062611 SONKADZRGUJDKP-HXUWFJFHSA-N 444.551 1.582 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)C1 1473824400 IASPBBJSNUOQOE-FEHORTKBSA-N 425.551 1.273 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)CC1 1476442903 YQNUNAFCYLOKGV-OAHLLOKOSA-N 434.440 1.093 30 10 IDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)NCC#CCN(C)C)CC3)cccc2c1 1479622111 BNCQZVCVFFCNDN-UHFFFAOYSA-N 429.546 1.124 30 10 IDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1479623953 UWIXGTBCPVOZFO-UHFFFAOYSA-N 443.367 1.030 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1503219293 AJMDHLMALISIFT-QHCPKHFHSA-N 440.548 1.781 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1503405151 GNQPKPUEESVEMX-OXJNMPFZSA-N 448.524 1.523 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1504605622 QDWVEUXTWGEIHK-KZNAEPCWSA-N 428.468 1.663 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1504955291 QTOGSDOLKQUEKR-DOTOQJQBSA-N 425.555 1.709 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCOCCCO)CC2)c(F)c1 1505317897 DGQVYBYQRYAVTI-GOSISDBHSA-N 444.511 1.518 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)NCC)CC1 1508075988 YXTSEDCRZRTWCT-UHFFFAOYSA-N 449.918 1.891 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1508162735 RYICSOPMNJRSPI-OWCLPIDISA-N 445.611 1.144 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1508788981 FGWSFSHZBIFCJI-QGZVFWFLSA-N 425.493 1.483 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCN(C)C 1509215116 GHWPDLRUBZZIOQ-GOSISDBHSA-N 441.584 1.432 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1509746451 HMJFYLCCGWJCRE-UHFFFAOYSA-N 433.520 1.849 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)CCOC1 1509808647 KOHCWEHKUHUANA-JOCHJYFZSA-N 442.520 1.625 30 10 IDEE C[C@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1512222049 PCWDWBSGIKUEAW-WMLDXEAASA-N 434.522 1.360 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513089839 GOVAEMKCZCIUPL-YFBFJXKUSA-N 443.508 1.253 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N(C)C 1517127105 CROXPKVORAIEBD-UHFFFAOYSA-N 427.534 1.683 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1517302316 KFBCNIWNGUOIHR-HXUWFJFHSA-N 433.534 1.493 30 10 IDEE CNS(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1C1(c2ccccc2)CCC1 1517632726 JJHQXFWFUZPBOH-LJQANCHMSA-N 432.525 1.739 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1)OC 1518727503 MEFSUKVYLRXLDH-IBGZPJMESA-N 434.504 1.595 30 10 IDEE COCCCOC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1519088810 KKXLRIRCBCPMGZ-UHFFFAOYSA-N 442.520 1.935 30 10 IDEE NC(=O)[C@H]1CCCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1521263314 SQQCPYHQXDWRFA-YGCDDZCOSA-N 441.536 1.239 30 10 IDEE C=CCN(C(=O)c1cnn(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 1528606327 RRYPDEIQVFQJHK-AWEZNQCLSA-N 425.308 1.845 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(C#N)n1 1531381192 UMEOWSMIKZRNCG-TZMCWYRMSA-N 426.395 1.947 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C(CC)CC)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539206780 VYEJABYAYYPQIE-PMACEKPBSA-N 437.610 1.350 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCSCC1 1539397006 WSKOTRKLODUSMY-UHFFFAOYSA-N 429.550 1.060 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(O)c1 1539408995 LCFGEZVVPRNGMQ-UHFFFAOYSA-N 439.472 1.854 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3cccc(OC)c3)CC2)CC1 1539427817 JAVCBNKXCVPBIV-UHFFFAOYSA-N 436.560 1.912 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)(F)F)n2)CC1 1539445901 JWZUGTFRXOVTHB-OAHLLOKOSA-N 433.438 1.447 30 10 IDEE C#CCSCCn1c(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)nnc1C(C)(C)C 1539531259 TZIXESCKXSYKMJ-MRXNPFEDSA-N 428.624 1.972 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1539538399 HDAUWMDPYCBFCX-HRAATJIYSA-N 441.561 1.930 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539627719 LBJIBUSOOLIWBP-VXNCWWDNSA-N 446.552 1.925 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 1540869702 UUZGIMWXIYYJSU-IRXDYDNUSA-N 444.923 1.763 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1540870961 ARSXKYSTBBOSEW-QWHCGFSZSA-N 435.472 1.261 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1541115900 GSGMGIZAFHMCMD-CABCVRRESA-N 443.595 1.133 30 10 IDEE C#Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 1544038999 SYWOLDHXXURTIC-UHFFFAOYSA-N 425.510 1.451 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1544644647 CTCXFPWCXPWYMD-KRWDZBQOSA-N 426.517 1.833 30 10 IDEE CCCCCNC(=O)C1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1546983575 BIUFLJDJOALPIE-VZCXRCSSSA-N 443.552 1.636 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554346442 DDZNVPRYWUQMIW-VZCXRCSSSA-N 434.504 1.940 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC)nc1OC 1555637137 PKICGZQJUAXHSJ-XOBRGWDASA-N 434.472 1.905 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC[S@](=O)C(C)(C)C 1555742996 OPWYKVAWNWMNPR-NBPORJGKSA-N 427.546 1.991 30 10 IDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1560072515 NOSQWMLCVREBTF-CABCVRRESA-N 436.603 1.630 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Br)cc2F)CC1 1564859099 BGGZCPNWZCKPKG-LBPRGKRZSA-N 447.330 1.444 30 10 IDEE O=C(N[C@H]1CCCN(O)C1=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1569675805 JURYREQQMCMEOY-RBUKOAKNSA-N 447.488 1.438 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1587620749 JIHQGTRWBLGSFO-OAHLLOKOSA-N 431.504 1.411 30 10 IDEE COc1cc(C(=O)NCC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)ccc1OC(F)F 1588774503 BBPQNRQHUJXHCY-SNVBAGLBSA-N 436.280 1.701 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)[C@@H]1CC 1589069617 MSKGFLRIJHTPRX-MAUKXSAKSA-N 427.530 1.872 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1CCCO 1589164123 QNANTXHFSVAQTC-PTUXOGIPSA-N 431.581 1.769 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nncn1C)C1CC1 1595033290 DVTIBTRSQYYPBD-UHFFFAOYSA-N 442.549 1.527 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1595466791 NCLVRYZFYQOIGD-JOCHJYFZSA-N 442.495 1.053 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1595522604 GZJSZKNEIIZKMG-UHFFFAOYSA-N 449.475 1.272 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccs2)C1 1595715306 VCELHOYRHIOQCW-INIZCTEOSA-N 427.534 1.951 30 10 IDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1596977244 GFYBYQKOLUKLMZ-IBGZPJMESA-N 427.530 1.762 30 10 IDEE N#Cc1cccc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)c1Br 1597509894 RNYFOITWAWQQTH-UHFFFAOYSA-N 429.274 1.483 30 10 IDEE C#CCN(CC(=O)N[C@@H]1CCc2cc(C(=O)OC)ccc2NC1=O)C(=O)OC(C)(C)C 1597907353 AOZKBUKBQDJJIO-QGZVFWFLSA-N 429.473 1.713 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)N(C)C1CC1 1611600774 FWEVCNHRAYBCDO-WAIKUNEKSA-N 437.548 1.913 30 10 IDEE N#Cc1ncccc1SCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1613782101 HDASLXKDACQBLE-UHFFFAOYSA-N 432.527 1.383 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)[C@H]1c1ccnn1C 1618519738 MIOFHLVKXXFIEH-QGTPRVQTSA-N 446.305 1.852 30 10 IDEE N#Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)s1 1626823112 RUCNXQSTBVYMMQ-LRDDRELGSA-N 425.919 1.713 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)CC1 1627015356 PYORJCDZBBWGBI-HXUWFJFHSA-N 434.544 1.100 30 10 IDEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1629760859 WBBNILRIMVSNFQ-ROUUACIJSA-N 427.526 1.991 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)nc1 1629976641 RCKIHKIQNWZLNK-IBGZPJMESA-N 439.903 1.987 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 1631271873 DEKTYYDFMFKHJU-HNNXBMFYSA-N 441.552 1.110 30 10 IDEE C#CCN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1634813936 GOUDEYYVVVCIFI-CPLUKWAASA-N 441.528 1.655 30 10 IDEE C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1 1637374511 FFYPRFYYIPYWHU-HZPDHXFCSA-N 428.514 1.089 30 10 IDEE COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1637374546 GFFZGEJRLROVCW-HNNXBMFYSA-N 433.534 1.251 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2SC(F)(F)F)CC1 1638939388 GCWNZOVUEZZELE-UHFFFAOYSA-N 436.481 1.593 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1cc2ccccc2n1CC#N 1640631080 OXCMIFAQFSZULV-JOCHJYFZSA-N 428.489 1.893 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@H]2CO)CC1 1643826458 OWUVMJQFXYWLOZ-VXKWHMMOSA-N 444.551 1.788 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@](O)(C4(C(=O)OC)CCC4)C3)cc2C1=O 1645551699 HRZREFLGQGVNKU-HSZRJFAPSA-N 426.469 1.779 30 10 IDEE CCc1ccccc1NC(=O)CNC(=O)Cn1cc(C#N)c(I)n1 1656672048 IPRQTTAORSDSIT-UHFFFAOYSA-N 437.241 1.677 30 10 IDEE C#CC[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1666758899 LCTJPUIWTMCLAM-RDJZCZTQSA-N 437.518 1.420 30 10 IDEE C=CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1678808533 XUTBAOVLJRAYTL-NWDGAFQWSA-N 429.461 1.827 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)[C@@H]1CCCO1 1686184481 JLIZMCXQYRHPNQ-YADHBBJMSA-N 426.561 1.837 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccn(C)n2)c1 1689870414 NCLWGPIHPKHUNC-SFHVURJKSA-N 432.488 1.067 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CCc2ccccc2)C1 1689946260 NWJKSYGFIQHBLI-ICSRJNTNSA-N 444.605 1.522 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1689991755 BZOPOEYMGIMZQM-HOTGVXAUSA-N 428.649 1.952 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1689999795 IKWZTGVLJMMRMP-UHFFFAOYSA-N 436.907 1.616 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690015506 OPFYBLHZEQCOAY-QGZVFWFLSA-N 426.521 1.702 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1690047712 XJSGZDSFLHZCLE-VNTMZGSJSA-N 445.589 1.510 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)F 1690095750 BPPQGZOYCZNFFH-UHFFFAOYSA-N 445.467 1.844 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn(C)c2C)CC1 1690137922 LVWGSQJFTUMUPH-QGZVFWFLSA-N 443.552 1.058 30 10 IDEE C=C(Br)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1690235220 ZPMMPRHALDXJJL-MSOLQXFVSA-N 440.342 1.698 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1690675363 YGIFVUBHJUGEFW-IBGZPJMESA-N 440.548 1.881 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690745172 ZJIQPSFZVOPCSH-RBUKOAKNSA-N 448.637 1.834 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CCO1 1690957459 HFGYCPJZRRXEQU-WIYYLYMNSA-N 442.545 1.026 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CCC1 1692742240 HPMCPLVERVEONP-HOLBHBGLSA-N 449.602 1.987 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCOCC2)C[C@H]1O 1697065726 OOANQEUDEUZFHX-RTBURBONSA-N 439.516 1.994 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1C 1705517277 RZONQMONUKTRRU-SFHVURJKSA-N 449.581 1.093 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1705522805 MPADEUUHUBDUNX-BGYRXZFFSA-N 429.613 1.825 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1705538716 YCEQXTDGRXTCHI-UHFFFAOYSA-N 434.544 1.837 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC1(C(N)=O)CCOCC1 1705557904 BWKQMKJOTKTXLT-UHFFFAOYSA-N 427.505 1.607 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705568647 SKSZFOUVUZTALZ-SJLPKXTDSA-N 448.520 1.659 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1705573310 DOSDTAVJAKHOKY-AZUAARDMSA-N 442.589 1.572 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705587594 BFAXMCDIBLAIDQ-FAKFISEUSA-N 428.533 1.803 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)N(C)C2CC2)CC1 1705642520 WOIPONFKLZCMEL-KRWDZBQOSA-N 441.605 1.508 30 10 IDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705733606 RQNFLXUYRAUCQW-QGZVFWFLSA-N 448.545 1.932 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705780975 MPUJAKPCZPQUIY-QAPCUYQASA-N 438.598 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1705933955 XATPFIUOBKACSI-INIZCTEOSA-N 447.517 1.292 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1706234107 DPTCCAUTJTYRFZ-UHFFFAOYSA-N 435.536 1.786 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCCN(C(C)=O)C1 1709141651 ADGHARDEYUCLLP-FUHWJXTLSA-N 437.552 1.476 30 10 IDEE CCC[C@@H]1C[C@H]1n1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709889236 WGINLSPFWPGOAM-PBFPGSCMSA-N 445.549 1.784 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1710900662 WPMZYYZOJPUZQW-UHFFFAOYSA-N 449.537 1.075 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)C)C[C@H]1O 1711459951 NOCRJCCFIFDWPN-GUDVDZBRSA-N 427.505 1.848 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)C 1712011933 BRACAPVXRUSVOM-INIZCTEOSA-N 428.493 1.509 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=C(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1712633405 RGXSLRMGNVDGGM-YYVVQBKYSA-N 442.520 1.685 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722366862 SATCBBVLMLBQAZ-IBGZPJMESA-N 429.546 1.317 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1722445658 VOHJGCYFEZYBCU-MWTRTKDXSA-N 441.507 1.590 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC)nc2OC)CC1 1722446918 BMUUBLFLQZRULJ-UHFFFAOYSA-N 438.532 1.972 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1722631787 WUHGUQBHFPZHID-GFCCVEGCSA-N 448.471 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722702425 KCCRNFQQLKMHAN-GOSISDBHSA-N 441.492 1.667 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)C1 1722719026 PQSKNHXGBVDVBR-SJORKVTESA-N 432.550 1.303 30 10 IDEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729225460 OCKKDLSKUIIPLJ-UHFFFAOYSA-N 431.522 1.020 30 10 IDEE COC[C@H](C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1730463314 QWMOQACVIWZBCN-SFGWALBWSA-N 432.569 1.778 30 10 IDEE COC[C@H](C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1730463315 QWMOQACVIWZBCN-ZWCUEREDSA-N 432.569 1.778 30 10 IDEE COC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1730592038 IJQFWSWNWYIFHC-NHYXNVPJSA-N 432.525 1.342 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1740547885 BVNDRJOVIAIHBK-XDNAFOTISA-N 449.552 1.584 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1740615833 MAJPRIBCNCJUNR-INIZCTEOSA-N 439.582 1.248 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1740625773 PKCNUYNJDNQMPE-OALUTQOASA-N 431.562 1.706 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740709902 NTMLXWYVHJKPGM-ZWKOTPCHSA-N 434.610 1.330 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)N(C)C)CC1 1740835124 NANBHOXCFBKYHH-UHFFFAOYSA-N 433.534 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740992836 OKECPSXHHZLSIO-UTKZUKDTSA-N 447.561 1.249 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741115669 BLFSBRVURXVQRJ-LJQANCHMSA-N 438.536 1.292 30 10 IDEE CCN(CCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)C1CC1 1746312573 ALQARKLRKGKYJB-UHFFFAOYSA-N 438.536 1.436 30 10 IDEE CCSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747514748 VBHJAZRSNHCULL-QGZVFWFLSA-N 440.577 1.966 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1748719440 XZKZUXOGDGDBQR-OOSNJVJTSA-N 436.578 1.756 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCCC1=O 1748784684 RHEZLIWKGXEDPH-UHFFFAOYSA-N 433.516 1.664 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748812062 PBVLNFXEEIAIGM-RBUKOAKNSA-N 428.562 1.307 30 10 IDEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1749022585 KPWUUHOJYLKTFL-QAPCUYQASA-N 447.536 1.875 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1749053161 BUPWGTSSBDXYDN-GRDNDAEWSA-N 429.637 1.729 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1749078936 UKVSEOBVIJEOIP-OAQYLSRUSA-N 447.561 1.749 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749128463 WLGPHWVRFYKCQY-LXZJYRNTSA-N 444.580 1.953 30 10 IDEE C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749411715 DQTYTGFYKFWDIT-JKSUJKDBSA-N 442.495 1.670 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCS(C)(=O)=O)C1 1749703085 BYZVDVBHMJNUHN-KRWDZBQOSA-N 448.545 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749730932 WDCCSKIEFYDMMS-GOSISDBHSA-N 448.593 1.423 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749731749 JOAXHDZKWADWAJ-UHFFFAOYSA-N 445.611 1.007 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749761146 VTJCEVNCCCYSHQ-GOSISDBHSA-N 445.593 1.730 30 10 IDEE CON(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1750169061 PGYNTFFOOPRFAA-VXPUYCOJSA-N 426.477 1.998 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(=O)N(C)C)cs1 1751781674 JAOGZKDLMBDCHQ-QGZVFWFLSA-N 428.566 1.289 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccccc12 1760249135 HYSDAZNDKINTLK-GOSISDBHSA-N 441.557 1.990 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)CCOC)CC1 1760271603 DFTXVGFKZSFXEB-HSZRJFAPSA-N 440.548 1.017 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760440617 NKVSMENHKMVNTD-HNNXBMFYSA-N 435.529 1.402 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1OC 1760515237 SVDQVBJPOJXLKK-UHFFFAOYSA-N 426.521 1.504 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760517536 PKDBEZFKHLGNKU-UHFFFAOYSA-N 438.532 1.705 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760712757 FAZCRKUMUZRTAJ-KRWDZBQOSA-N 444.561 1.602 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC[C@H](O)C1 1761466102 HEBKUGMWMKSAGV-SNRMKQJTSA-N 446.577 1.947 30 10 IDEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1765204294 IGXBYMWYQLPNPD-OHTQGHCMSA-N 447.565 1.275 30 10 IDEE CCOCc1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766334496 RCMFXBQRUPSTLG-KCQYIYACSA-N 430.509 1.348 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766877561 YITXOPZOVIGBLW-INIZCTEOSA-N 441.511 1.598 30 10 IDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H](C(F)F)N2CCOCC2)cn1 1769003375 LHQWPABLRNUJON-DNVCBOLYSA-N 438.458 1.477 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CCCC2)nnc1N1CCC(CO)CC1 1770833715 YWCUTWLSVAFJMP-QZQOTICOSA-N 428.537 1.746 30 10 IDEE CC(C)(C)OC(=O)NCC[C@]1(CC(=O)ON2C(=O)c3ccccc3C2=O)COCCO1 1772794469 MDAIUIJZWSBREV-NRFANRHFSA-N 434.445 1.831 30 10 IDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](N1CCS(=O)(=O)CC1)C(C)(C)C 1851722926 PIIGRJSEDICCLU-XJKSGUPXSA-N 441.985 1.766 30 10 IDEE Cc1cc(C)n(CCC(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(=O)n1 1852633258 VAUOQEACKLBIGW-NRFANRHFSA-N 440.500 1.445 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(Br)s2)C1=O 1854282057 ABCPZRTWAUQOAT-NWDGAFQWSA-N 426.336 1.970 30 10 IDEE C[C@@H]1C(=O)N(C(=O)COc2cncc(Cl)n2)CCN1CC(=O)c1ccc(C#N)cc1 1855122538 RZELJMUDHOIFJA-CYBMUJFWSA-N 427.848 1.323 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)[C@@H](C)C2=O)CC1=O 1856358855 KDJYPVBXUCHEEL-DOTOQJQBSA-N 433.530 1.032 30 10 IDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)CCCOc3ccccc3)CC2)CC1=O 1857492662 UDUDVAXZXXKVSJ-GOSISDBHSA-N 433.530 1.786 30 10 IDEE N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)[C@@H]3CCCO3)cc2)c1 1858991918 LBWATWODSRBVML-IBGZPJMESA-N 442.497 1.906 30 10 IDEE C=CCNC(=O)[C@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1861747662 DXJDJHOCDXVGBG-INIZCTEOSA-N 429.926 1.172 30 10 IDEE COCCNC(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931710 FPUCWGRBLCXDLP-QGZVFWFLSA-N 433.555 1.790 30 10 IDEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870349051 XOGPODTWIRSOIW-UHFFFAOYSA-N 438.528 2.000 30 10 IDEE N#Cc1ccc(COc2cn(CCc3cnc[nH]3)c(CN(CCO)CCO)cc2=O)cc1 1870349549 ROTUINOMNREUSS-UHFFFAOYSA-N 437.500 1.051 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870395122 FZPPXDRDESATNX-UHFFFAOYSA-N 438.528 1.427 30 10 IDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(CCO)CC2)nc1C(F)(F)F 1872799622 JJRUJTYHEDTFEA-NSHDSACASA-N 434.440 1.125 30 10 IDEE C#CCOCCOCC[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882551304 TWXZOQRPELNQQQ-SFNQZPIRSA-N 425.503 1.560 30 10 IDEE CN(CC(=O)NCCN1CCC(C#N)CC1)c1nc2c(S(C)(=O)=O)cccc2s1 1890821111 WVBIAKBJOYPBEW-UHFFFAOYSA-N 435.575 1.488 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)CC1 1890944069 SRROXRYOYOMRFB-STQMWFEESA-N 425.470 1.222 30 10 IDEE N#Cc1cc(I)c(I)cc1S(N)(=O)=O 2055358614 KJAFRNQFWIBNFW-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE C#CCC(=O)NCC1CCC(C(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)CC1 2060423397 SVYJVLCHJLGZJK-UHFFFAOYSA-N 433.505 1.216 30 10 IDEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2O)c(Br)c1=O 2126911425 PIRXHCZSPXEIDG-OLZOCXBDSA-N 427.299 1.421 30 10 IDEE CN(Cc1ccc(C#CCN)s1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2156987622 BHZMNDPCVSVHJY-UHFFFAOYSA-N 445.566 1.896 30 10 IDEE Cc1csc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247832855 WQXUTYWCBADBOY-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC1(C)OB(c2ccccc2S(=O)(=O)N(CC(N)=O)Cc2ccccc2)OC1(C)C 2247882978 XRVBKUXHPBQYMN-UHFFFAOYSA-N 430.335 1.662 30 10 IDEE C=C(CS(=O)(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903265 FOTYSPIGRNMQBG-HNNXBMFYSA-N 446.375 1.729 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248420332 RXACDOGIEHRIQX-GHMZBOCLSA-N 442.322 1.403 30 10 IDEE CN1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](CNC(=O)C(F)(F)F)C1 2255371802 AUSOQUXVHYXSLV-ZDUSSCGKSA-N 428.264 1.180 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2255694866 VEJQPVXAVVXLNV-OAQYLSRUSA-N 435.330 1.386 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)n1 2255840508 NNHXIWMCTJNAHD-UHFFFAOYSA-N 435.334 1.292 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2256938914 ZMIWVVACQQNRCM-QGZVFWFLSA-N 428.294 1.894 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2C[C@H]21 2267166257 PPNZDIBFUHQJOA-HRCADAONSA-N 444.341 1.904 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267266607 QRFNBUUESWWUAE-LRTDBIEQSA-N 447.345 1.101 30 10 IDEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 2267283969 WCUJZRWBBKOQEZ-INIZCTEOSA-N 448.373 1.595 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267514306 XHTHKPPGBKMJCD-HUUCEWRRSA-N 446.357 1.658 30 10 IDEE CCC1(CNC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267544211 QXDZGUCQUWNXSN-UHFFFAOYSA-N 449.361 1.491 30 10 IDEE Cc1nc(NC(=O)C2(O)CC(NC(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2268788213 ZGKSLUCOVHROQR-UHFFFAOYSA-N 448.329 1.441 30 10 IDEE N#Cc1ccc(Cl)nc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270530500 LVELQVHURWGYPU-ZDUSSCGKSA-N 438.849 1.728 30 10 IDEE C=CC[C@]1(CO)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2287710756 WSOHZWXKMRVIPV-RTWAWAEBSA-N 438.521 1.991 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccccc3)n[nH]2)cn1 59886827 WERAFKPPMMKRPD-SRZZPIQSSA-N 428.522 1.545 30 10 IDEE C=CCS(=O)(=O)CC(=O)Nc1sc(C(=O)OCCOC)c(C)c1C(=O)OCC 71555121 GZOMDUJWJGRZOI-UHFFFAOYSA-N 433.504 1.576 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)CC1 110002801 LFRZLSKZNPOCCL-NRFANRHFSA-N 426.561 1.432 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCO1 409502853 PGZIVNQEZHJBSI-SJORKVTESA-N 444.517 1.311 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)n(-c2cccc(F)c2)c1C 434796939 RYHYVMRFMFDHDP-QFIPXVFZSA-N 438.463 1.717 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1C[C@H]1CCCO1 460936581 QQRMGBCZTBDSGH-IAGOWNOFSA-N 431.504 1.896 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cn1 461296359 SJOUNRVJUCNHEX-OAHLLOKOSA-N 430.424 1.902 30 10 IDEE N#Cc1cc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)ccn1 474777007 UZOWTGAFZUSJMP-UHFFFAOYSA-N 427.468 1.887 30 10 IDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478752050 CJCLWKFFPSVKQK-CVEARBPZSA-N 444.578 1.958 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 480110447 NFZGVSPLMPARHO-SWLSCSKDSA-N 433.515 1.311 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 504032930 CCJKRZYJMRLUTL-UHFFFAOYSA-N 425.489 1.823 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@H]1CCCO1 505104491 WNRJXZNTBZKAHB-GFCCVEGCSA-N 435.958 1.609 30 10 IDEE COC(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1C1CC1 507760002 ZZVAZTQNEZOYLH-ZDUSSCGKSA-N 442.497 1.600 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 508948194 ZHSPHODGTLYJFQ-SFHVURJKSA-N 449.533 1.072 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 512927213 KTETXDSEGJMHDO-NRFANRHFSA-N 431.581 1.706 30 10 IDEE COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)cc1 531561306 MEBOSZTXIVIBTM-ZDUSSCGKSA-N 426.494 1.259 30 10 IDEE C[C@@]1(C(N)=O)CCCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 541704056 WRSDWCWYWLATRA-NRFANRHFSA-N 426.477 1.185 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 549530717 XILPOVZEBYXPPI-HNNXBMFYSA-N 431.583 1.422 30 10 IDEE COC(=O)[C@H](CNS(=O)(=O)CC1(C#N)CCC1)Oc1ccc(Br)cc1 562006389 ZBCPBRUFLIZQLM-AWEZNQCLSA-N 431.308 1.983 30 10 IDEE COc1cc(CNS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)ccc1C#N 563653874 APUVXMJHBQAJMI-UHFFFAOYSA-N 441.506 1.446 30 10 IDEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2nccn(C)c2=O)CC1 569022377 GJTJJILAZCXTHP-UHFFFAOYSA-N 435.488 1.670 30 10 IDEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 576976378 YGNUKBUUEMVWBV-CQSZACIVSA-N 431.555 1.909 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 582982343 SUBZXULFXBLPFX-QFIPXVFZSA-N 444.495 1.078 30 10 IDEE O=C(NC[C@H]1CCCO1)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673747 RDNJQCFJEHPYCN-COWHLIFESA-N 434.452 1.930 30 10 IDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256631 BHMZJZOPPOBFKU-UHFFFAOYSA-N 447.492 1.269 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@@H]1CCCO1 751138733 OIQPDIGEPNNAIA-SFHVURJKSA-N 435.549 1.771 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)ccc2c1=O 752721777 FTOUPGZPCIWMBR-LRTDBIEQSA-N 441.513 1.322 30 10 IDEE C[C@@H]1COCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 769250543 BZGRCFSCTCVINC-HUUCEWRRSA-N 428.445 1.671 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cc(C3CC3)[nH]n2)CC1 779190668 BZKKCEVGOANTSG-UHFFFAOYSA-N 442.545 1.455 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 786977428 BVODVEGUUDUNMW-CCEZHUSRSA-N 425.264 1.125 30 10 IDEE C=CC[C@@]1(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)CCCN1C(=O)OC(C)(C)C 790342405 OYIFHPDGDMQVKS-QHCPKHFHSA-N 444.532 1.864 30 10 IDEE N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 795815233 AKIOOBVTPFQZCK-GOSISDBHSA-N 436.493 1.830 30 10 IDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(OC)nc2)C1 797816914 WZEIPZFOTAGZNM-SNPRPXQTSA-N 434.518 1.890 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)NC(C)(C)C)c1 919846169 IQPKTDMUPVWZTF-CYVLTUHYSA-N 430.552 1.156 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1 1119009500 UJVSSZZOUWICNH-IBGZPJMESA-N 432.454 1.693 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 1138893824 OBIPGMLJXKADIU-UHFFFAOYSA-N 431.294 1.605 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1155779220 IIJXDFJKJDUJOO-NPPFBWRTSA-N 434.489 1.663 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1161393664 QYQPNUVCBCLXIZ-CYBMUJFWSA-N 429.336 1.858 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1168613695 PVJIUVJNOMLRNW-UHFFFAOYSA-N 442.541 1.888 30 10 IDEE CCOC(=O)[C@@]1(F)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@@H]1CC 1177607514 KEKQRJMCAYCWIL-HNAYVOBHSA-N 425.482 1.550 30 10 IDEE O=C(CNS(=O)(=O)c1ccccc1F)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272709 KUBYPWNDBUCVDD-UHFFFAOYSA-N 435.433 1.008 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1270241910 CQRRBFATUIIXDA-IRXDYDNUSA-N 432.502 1.189 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286314877 SOONMONXYHTUSY-IIBYNOLFSA-N 449.552 1.929 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1286390726 BMFVTUIOSJVVPH-ROUUACIJSA-N 444.605 1.953 30 10 IDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286593535 OIZRGIQUVRZJKX-UHFFFAOYSA-N 443.462 1.059 30 10 IDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1286677921 MJMBYUARSNRCOZ-KBAYOESNSA-N 446.577 1.560 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286709404 SQJRYYLYVLRKSK-JOCHJYFZSA-N 439.520 1.747 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 1286779510 UQZFWLYEOGBHMP-IBGZPJMESA-N 439.564 1.824 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCO[C@H](C)C2)C1 1286799764 AANLUTYXGPUIMX-XMTFNYHQSA-N 441.598 1.875 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C2CC2)O1 1291224286 VLNOKFKMLMMBFN-BEFAXECRSA-N 444.561 1.760 30 10 IDEE Cc1cc(C#N)cc(C)c1CC(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1293011553 JTNVTZFPUHFXGZ-HXUWFJFHSA-N 433.574 1.456 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(N(C)C)c2)CC1 1300719789 QBUOGRNPAMGTBI-UHFFFAOYSA-N 446.559 1.759 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CC2)CC1 1300731690 SOUKZSOXUVPUDE-UHFFFAOYSA-N 426.546 1.645 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 1300732652 CAQKTMIDIWAQTH-CQSZACIVSA-N 437.566 1.957 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1301169700 GCGHVZSFECWZSR-UHFFFAOYSA-N 438.598 1.636 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301491363 QHIWKSBOSOPXAD-UHFFFAOYSA-N 429.422 1.598 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301502907 SKNWUYDFTBBYNX-KBXCAEBGSA-N 444.486 1.506 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301587102 XOWNFXNBMUNYBZ-OALUTQOASA-N 447.561 1.634 30 10 IDEE N#C[C@]12CN(C(=O)NC[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)C[C@H]1CS(=O)(=O)C2 1312491684 KKUUSSMZZPGTLS-BVPXEZJJSA-N 435.521 1.479 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)OC)CCOC1 1314133325 AEECFVNBNALTLP-JTSKRJEESA-N 441.536 1.558 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1316296939 DUCAOQKSKMZOOH-BCSOYYNPSA-N 445.495 1.778 30 10 IDEE C=CC[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1322586395 TUPSQWPHNRKBJS-DOMZBBRYSA-N 447.351 1.035 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1337651505 ZYXNVRMOUJLULT-GOSISDBHSA-N 441.532 1.599 30 10 IDEE C#CCCCn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1358935485 KDEJSOXMFBJDRC-UWVAXJGDSA-N 426.583 1.990 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1358959448 JCQRZXLWGXTBDU-INIZCTEOSA-N 442.520 1.801 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1358960886 NMCFRXFRPSZQTE-KRWDZBQOSA-N 440.529 1.874 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 1358962893 YTISFMGJBSTOPQ-SFHVURJKSA-N 435.594 1.019 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358964930 KGJDGDPCAVRGKB-PMACEKPBSA-N 444.557 1.219 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1358976468 FRBAPYFFBBBGKK-QGZVFWFLSA-N 432.484 1.163 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1359033913 VYNRYRSWFMQBJM-UHFFFAOYSA-N 434.491 1.859 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359051034 KGEBFWISKHZAHL-GOSISDBHSA-N 444.517 1.561 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1359056343 CVFDJASQPVERRK-GOSISDBHSA-N 438.561 1.547 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC)[C@@H](C)C1 1359300501 DBWVDVOLXUYJEI-QFBILLFUSA-N 426.521 1.623 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1359322131 QBRCQRBNKGMBNX-ZACQAIPSSA-N 445.486 1.826 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359336297 LAKZOWOQSKSDCN-TVKQPGBESA-N 440.566 1.503 30 10 IDEE CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1359749727 XVWIHAYXQFCIOT-QTIQAUKSSA-N 425.493 1.661 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC=CCO1 1360240349 GLGHRSZCDVHXNH-GOSISDBHSA-N 436.520 1.355 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCCC[C@H]3NS(C)(=O)=O)n[nH]2)c1C 1449250658 QJMDWWFHSWMXQQ-JKSUJKDBSA-N 434.566 1.914 30 10 IDEE CS(=O)(=O)c1ccc(CNC(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 1460614446 AHCXPPFZXUBUOI-UHFFFAOYSA-N 427.526 1.873 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)n(Cc2ccco2)c1C 1460674209 KCSPGDDWDQOCPC-AZUAARDMSA-N 425.489 1.536 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNC(=O)c1ccccc1F 1465563004 DWVOPRLSIPDIDW-AWEZNQCLSA-N 432.477 1.300 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)CC(=O)OC(C)(C)C 1473620443 IPUGRZMICOOZFS-HSZRJFAPSA-N 442.516 1.238 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 1473620562 LRDQPZKSOTXSDO-INIZCTEOSA-N 437.562 1.977 30 10 IDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1502282943 HVFGRELKNASHPP-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE CCOC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1502535861 KOILTJITUIRPDJ-UHFFFAOYSA-N 440.552 1.825 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505144303 LBNIMEFXBRNCBR-SFHVURJKSA-N 429.550 1.061 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1507539973 YCXHXJLLJXBJDO-DOTOQJQBSA-N 432.546 1.898 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507632332 ZEKSJBYIJDPWPW-KRWDZBQOSA-N 444.561 1.303 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507707908 DYKOGSOPRQQJLC-SFHVURJKSA-N 427.530 1.728 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21)C1CC1 1507987969 NKNCCHNOFXESPF-AWEZNQCLSA-N 445.549 1.799 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(=O)NC(C)C 1507997997 AQVYKMRCOJVSGT-UHFFFAOYSA-N 435.532 1.989 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1508071660 DPCFXCHCEQWRTO-OAHLLOKOSA-N 445.520 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1508140923 KLQAXGCVJFQWNZ-MSOLQXFVSA-N 447.561 1.826 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1509953802 NVUQNGJCFMSBAQ-JFIYKMOQSA-N 446.581 1.621 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1[C@@H]1C[C@H]1CF 1510225447 CWYAVRVFDVONRE-BVPBIZIASA-N 448.524 1.868 30 10 IDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)N(C)C1CC1 1511974451 DMQOCFIGMKWBFE-DLBZAZTESA-N 437.548 1.878 30 10 IDEE CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1514246912 STJQJTHSKPLRDI-JOCHJYFZSA-N 439.520 1.600 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)[C@]2(C#N)CCCOC2)C(F)(F)F)CC1 1523876981 DERZWUHAOBLDTR-KSSFIOAISA-N 434.459 1.907 30 10 IDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cnn1CCC#N 1524606828 JNPVJJJDFOQPDG-UHFFFAOYSA-N 427.530 1.741 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1539212085 QWXXYUMTESASAD-OAHLLOKOSA-N 443.533 1.098 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1539219902 OHXGGASHHQTZES-JTSKRJEESA-N 447.605 1.504 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539220695 UWPNDDRCXGBMFP-LJQANCHMSA-N 429.546 1.668 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1539290652 JGSBKNLUENKOLI-UHFFFAOYSA-N 435.532 1.499 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)no2)n1 1539423624 ASRQTGCHEOHIQU-SFHVURJKSA-N 438.492 1.057 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)CC2)nnc1[C@@]1(OCC)CCOC1 1539643526 WSPRBWWQSJGFAN-ZRCGQRJVSA-N 449.596 1.680 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1539804430 VPKDNQVZJOFQHD-HOTGVXAUSA-N 439.973 1.983 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1539916205 ICVOQMZHRBGITI-JKSUJKDBSA-N 427.571 1.438 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539962819 DIYILGOIGNVXFU-QZTJIDSGSA-N 429.569 1.328 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NC2CCCCC2)C1 1540881210 BEZKFPNXYMNFIL-SFHVURJKSA-N 430.553 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540902084 ABKQIYLPHSILNI-IRXDYDNUSA-N 437.566 1.322 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1541137287 OJKMUCZQACVGAD-HSZRJFAPSA-N 435.532 1.838 30 10 IDEE Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)c1 1542688228 RPDVTIACLQOWOM-UHFFFAOYSA-N 427.486 1.913 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CC(F)(F)F 1544582108 GDZLKKMGSKUPJL-CYBMUJFWSA-N 449.441 1.453 30 10 IDEE CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1547255478 LJLBKAVHIUUFCM-SFHVURJKSA-N 438.536 1.292 30 10 IDEE CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554602003 LIVLFWJOBVRYNJ-KANFNMMFSA-N 429.546 1.959 30 10 IDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1556132576 ONRCTEGOJYOBGI-ZFWWWQNUSA-N 448.524 1.934 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2=O)cc1 1556172436 ZUBJMIUCCPMYSF-UEXGIBASSA-N 447.413 1.981 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1557592203 AQBCDCRDYRWZCZ-GOSISDBHSA-N 442.541 1.448 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cc(Cl)ccc2Br)CC1 1558072833 FSQMEUAGORWEON-UHFFFAOYSA-N 448.770 1.647 30 10 IDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCN(Cc3ccsc3)CC2)C1=O 1559308659 RQBUOUATZJTBJL-QFIPXVFZSA-N 437.525 1.731 30 10 IDEE C=CCN1CCC(NC(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)CC1 1562774143 KOJYQOTXPLSVGI-MRXNPFEDSA-N 432.521 1.766 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)s1 1568573199 UAHFFJXPFNLHME-UHFFFAOYSA-N 448.526 1.758 30 10 IDEE CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CCn3cc(C#N)c(O)nc3=O)ccc21 1583817449 DKXXDMCHEJERDK-UHFFFAOYSA-N 436.472 1.672 30 10 IDEE C#CC[C@H]1CCCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1584653874 RKJUWAXPXQNHRH-INIZCTEOSA-N 443.525 1.837 30 10 IDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1 1585555147 AXPXISXCYCTASX-UHFFFAOYSA-N 441.916 1.974 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccc(Cl)c1 1587562146 LUGAMGUCBIWKRB-IQUTYRLHSA-N 439.969 1.907 30 10 IDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1587635678 RHZXGVBUYQMNLB-GJZGRUSLSA-N 426.514 1.888 30 10 IDEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1587706238 NRPVZRUMKUSYEQ-MRXNPFEDSA-N 428.541 1.062 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1588058905 FHUMRJJHORVUPF-RTBURBONSA-N 449.621 1.752 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)c(C)s1 1588385775 KCHOPYOISMWXFR-OAHLLOKOSA-N 438.579 1.192 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOCC2(C)C)CC1 1588856862 DIKLRSKQSSQPAL-UHFFFAOYSA-N 443.621 1.500 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1593729679 MWVBCPWOYJRPMZ-QGZVFWFLSA-N 436.582 1.974 30 10 IDEE COC(=O)CCN(CC#N)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 1595585390 VVGZFLQZTXNFFQ-GFCCVEGCSA-N 431.308 1.774 30 10 IDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCCCC2=O)C1 1611774488 FCMXJPDUNMWVIZ-HSZRJFAPSA-N 435.532 1.921 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H]3CN(CC(C)C)CCO3)CC2)c1C#N 1612469718 DUFOCNHVPSUUQY-IBGZPJMESA-N 441.584 1.184 30 10 IDEE CCOC1CC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1616578132 DYHRCGFBYYXSQU-LVIWNVNYSA-N 438.488 1.388 30 10 IDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1619171306 DPLSSYFUCQVPIN-HBMCJLEFSA-N 448.608 1.691 30 10 IDEE CNS(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ccc1O 1623733521 XXMURTQPUMREDU-LBPRGKRZSA-N 448.888 1.817 30 10 IDEE CC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccs1 1627482709 BLRMCFPJJLBRGB-BBRMVZONSA-N 448.570 1.776 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[nH]nc2I)[C@H](C#N)C1 1638203676 UONBOMAYTOKYRA-PSASIEDQSA-N 431.234 1.503 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3nc4ncc(Br)cn4n3)C2)nc1 1638905661 ACSNAVGQDXLPLO-CYBMUJFWSA-N 427.266 1.870 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)c1 1640353851 MWULGXRTDLUZPQ-UHFFFAOYSA-N 436.511 1.274 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@]4(C(=O)OC)CCOC4)CC3)n[nH]2)c1C 1641761020 UMRKXRJDMQRAOT-QFIPXVFZSA-N 442.520 1.166 30 10 IDEE O=C([C@H]1CCCN(C(=O)c2ccncc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854531 GPUBIKYJBCQLMQ-KRWDZBQOSA-N 436.468 1.838 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCCCCNC(=O)CC2)CC1 1644105585 UXAFYMXBKADCRE-OAQYLSRUSA-N 429.540 1.917 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1644986875 BBEAPGNTGQVMJT-YOWGUQMCSA-N 427.295 1.879 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(N4CCOC4=O)CC3)C2=O)cc1 1646490644 FALGSVKASQWUHR-KRWDZBQOSA-N 425.445 1.206 30 10 IDEE C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155465 HTDZVZINRZTBMX-ZJNRKIDTSA-N 425.507 1.283 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CO1 1648224244 RHGDXECCUITDKY-ZDUSSCGKSA-N 438.506 1.172 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1648291824 XLYBCXQIBZCWMK-UHFFFAOYSA-N 432.527 1.658 30 10 IDEE COc1ccc(NC(=O)Cn2cc(C#N)ccc2=O)cc1S(=O)(=O)N1CCCCC1 1652881289 HRTIAEQZBLQKIF-UHFFFAOYSA-N 430.486 1.542 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1655141999 ZRJSCHSADHRNFI-HDICACEKSA-N 449.573 1.720 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(COc3ccccc3)c2)CC1 1667121096 QYCCQPGBZJWZJG-UHFFFAOYSA-N 442.541 1.560 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)CC1 1668758415 VLRZUQFHVJANOH-UHFFFAOYSA-N 442.925 1.522 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 1672951643 CJUROCJSOPRVGS-UHFFFAOYSA-N 425.510 1.985 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 1677639299 ZYRHTIHPLYPHJA-INIZCTEOSA-N 447.586 1.974 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1689860621 DPIZKWHZSRWTGO-QZTJIDSGSA-N 437.548 1.527 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1689860623 DPIZKWHZSRWTGO-ZWKOTPCHSA-N 437.548 1.527 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CC[C@H](CO)O2)c1 1689873315 DTXKDQRZSNAJRN-RBUKOAKNSA-N 427.505 1.411 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689994011 PHAWNYAXITYINA-VQTJNVASSA-N 442.589 1.375 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690667274 XNRYJXJWWOOPCQ-KRWDZBQOSA-N 446.577 1.321 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CSC 1690724880 YBFVAIJZIZNQQJ-GJZGRUSLSA-N 448.636 1.113 30 10 IDEE CCc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1694635599 NRHMDGSMOJDDGA-BYMYJHOESA-N 442.545 1.741 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)C[C@H]1OC 1698288041 CDVHSZOUBNISGX-FFZOFVMBSA-N 426.521 1.387 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1698489962 FMKLOFXSMYWYLD-QGZVFWFLSA-N 434.566 1.227 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C(F)(F)C12CCC2 1705495185 LRLBHENIAPDWKL-ZNMIVQPWSA-N 443.520 1.504 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCC[C@H]1C 1705544697 AXDYIANKLMJGNJ-QGZVFWFLSA-N 430.578 1.749 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1705559323 XWKGZFHVXHTVDZ-QGZVFWFLSA-N 447.561 1.773 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1705565000 DZGOSWWQMLDZCY-IAGOWNOFSA-N 449.577 1.063 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C)C(C)(C)C1 1705578545 WYVBMYNVFHQRQE-UHFFFAOYSA-N 434.544 1.773 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1705604505 NQDJHYTXKNSUAX-FOIQADDNSA-N 436.509 1.566 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1705647299 DDJOTYJIWFRJBH-UHFFFAOYSA-N 434.544 1.860 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCC1(F)F 1706889100 CTVOBSRSQDMMCV-BFHYXJOUSA-N 432.497 1.443 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1709905230 BLSKQWSBMGWIPY-FQEVSTJZSA-N 437.548 1.454 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1711235431 VZHKVTHKPIMHGD-KRWDZBQOSA-N 439.545 1.757 30 10 IDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1712368621 LVNLGETVHNMYTL-SFHVURJKSA-N 441.511 1.993 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 1722317261 ROVYYPAGYJQQGO-SQNIBIBYSA-N 439.582 1.418 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722344206 NFKCLTGLGPWIIP-QFIPXVFZSA-N 449.552 1.682 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722358848 MOEKBVPZIZEXDB-IAGOWNOFSA-N 437.566 1.002 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1cnn(C)c1 1722392388 FGXIMCVUPLTING-UHFFFAOYSA-N 440.515 1.750 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1722428908 LMRWVTXJYKSYLJ-VGVBMJIYSA-N 428.493 1.132 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCC2)CC1 1722446462 XCFBOWYEWRQPHN-UHFFFAOYSA-N 444.561 1.206 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(N3CCOCC3)CC2)CC1 1722447007 GQTOQOXBZSLSOE-UHFFFAOYSA-N 428.581 1.307 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1722506260 CEADVCKRWHZOTL-IEZWGBDMSA-N 446.577 1.566 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1722635525 YWVFIEILZBYUML-RPBSFSNWSA-N 430.509 1.467 30 10 IDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1)C1CC1 1722645666 VINRSSWMHXXAPJ-OAQYLSRUSA-N 431.562 1.570 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1722672161 LKAKZJDLHRXKFZ-GOSISDBHSA-N 439.545 1.988 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCN(C)C2)C1 1722713336 AQXQOZVNCVYFJQ-MBSDFSHPSA-N 443.548 1.810 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1724012792 ZRGZZQRODQYLMJ-AUSJPIAWSA-N 434.566 1.225 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(CC(C)C)c2C)CCOC1 1728817597 MFQKVWPEJANELW-UGKGYDQZSA-N 443.552 1.868 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1729706414 AEAKUHPGFHZNAW-QZTJIDSGSA-N 439.564 1.888 30 10 IDEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1729885657 DVCQTRFTPCSRPW-CGTJXYLNSA-N 449.508 1.436 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730551001 IDHVXTBEEURMNN-WPCFFEEUSA-N 444.536 1.909 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](C(F)F)N2CCOCC2)C1 1731179467 CGBNLVNFVXCDFQ-JXXFODFXSA-N 442.486 1.970 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740622296 BNDOGBQSYZLYPH-ADXZGYQBSA-N 446.598 1.709 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740627854 SWAHJQYIJXFSBZ-ZWKOTPCHSA-N 447.561 1.646 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1 1740660784 CRJIVAYWTVXFBI-UHFFFAOYSA-N 426.496 1.851 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1740676453 DAKNQNXMFMOWNW-MSOLQXFVSA-N 432.521 1.996 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740786533 HENWVAFSXAHEKO-SJORKVTESA-N 439.520 1.766 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCN(C(C)=O)CC1 1740994050 IAZWZUGHFGJDFA-UHFFFAOYSA-N 431.562 1.333 30 10 IDEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1741849523 FPWZDAXODXGCFJ-KURKYZTESA-N 439.568 1.499 30 10 IDEE C[C@H]1N(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1743379245 ZEYNEIUZGLURBL-UDJKBAMHSA-N 437.504 1.870 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1743912012 XSPSCRUKOAEYPL-MRXNPFEDSA-N 425.537 1.780 30 10 IDEE CN(CCOC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1747979714 HCEGIDSLZQHKQN-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1748639315 FOLGFQFRWWSUEL-GJZGRUSLSA-N 432.550 1.547 30 10 IDEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1748735439 UBXDPQASJJLDAE-HNNXBMFYSA-N 444.442 1.107 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1748826293 QPRVGPMXMYOPDI-YWZLYKJASA-N 449.964 1.522 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(C)CN(C)C1=O 1748959550 WMEFLYNAEAXYPL-QHCPKHFHSA-N 433.516 1.695 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749049629 MLRJQRVSFQYING-BMFAXAFESA-N 433.578 1.616 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C 1749457996 USQJDYFYCAEVPU-ULQDDVLXSA-N 427.571 1.438 30 10 IDEE C[C@H]1C[C@@H](C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1751995040 RARRFSMCKLUCDL-VFCVWQGGSA-N 441.536 1.523 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H](OCC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760190059 XTNZYLFUMHDSSN-QRVBRYPASA-N 438.594 1.860 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760280192 DKCQSRGFRHCYQZ-MOPGFXCFSA-N 430.578 1.867 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1 1760284161 HJSNYJQJBXGACH-UHFFFAOYSA-N 442.593 1.500 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1760289733 SFGBRFLXWIRZFO-WRWLIDTKSA-N 436.582 1.139 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760338451 KYPZGTGSGRPCLE-NRFANRHFSA-N 434.562 1.830 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)OC)C1 1760355772 VUNKKLFNNAYDQE-HNNXBMFYSA-N 431.493 1.988 30 10 IDEE CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@@H]1CC 1766616746 DSFNFUJXZXYNDU-QFBILLFUSA-N 441.536 1.679 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C1 1766721697 DPUQOMLVPWPDFT-MRXNPFEDSA-N 432.550 1.904 30 10 IDEE CN(C[C@@H]1CC=CCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1768762464 JEDNZZNYGCOWSR-LHUAGQQPSA-N 439.520 1.548 30 10 IDEE C=CCN1C[C@H](C(=O)NCCOc2ccc3nnc(-c4cccc(OC)c4)n3n2)CC1=O 1850208213 MAYICANKFHZXKS-MRXNPFEDSA-N 436.472 1.329 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)c1cn(C)c2cc(N3CCOCC3)c(F)cc2c1=O 1853094939 KTVPWSQFLCDHBJ-UHFFFAOYSA-N 433.509 1.461 30 10 IDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C(=O)C12CCCCC2 1854502902 LWLGPDWFYOBDKC-KRWDZBQOSA-N 438.594 1.724 30 10 IDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CCN1CCC#N 1856186644 KGKGRCVPURVWJV-RHSMWYFYSA-N 438.937 1.466 30 10 IDEE N#Cc1ccc(F)c(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)c1 1891282507 RXYWJIBRUUDXHH-UHFFFAOYSA-N 427.390 1.909 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1891865492 PZPZQTALIOBYAF-UHFFFAOYSA-N 440.525 1.891 30 10 IDEE COC(=O)[C@H](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)NC(=O)OC(C)(C)C 2010509993 SWAQQIWGWKUACH-MSOLQXFVSA-N 430.505 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060634781 DMLKKFDSRUBNNU-KGLIPLIRSA-N 434.302 1.397 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2247773501 KQCKMMWQKNJNFW-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835643 ODTMRVBKXHXUGN-OLZOCXBDSA-N 439.343 1.464 30 10 IDEE C[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CN(C(=O)OC(C)(C)C)C1 2248430093 UVPYCRFVYWVIME-LLVKDONJSA-N 438.359 1.701 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545421 PYHFWUPFXZGPCZ-HNNXBMFYSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255826188 MEGKODUZEFMWNW-HZSPNIEDSA-N 432.330 1.837 30 10 IDEE C[C@@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2260821437 LNHDNQFJGVSJFJ-FEAKQIBJSA-N 437.346 1.758 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266998316 YNFBBCJYKZLVNT-UHFFFAOYSA-N 447.341 1.529 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267882185 OWMKWCOPRGCHJQ-NWDGAFQWSA-N 442.247 1.447 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](CO)[C@@H](F)C3)cc2Cl)OC1(C)C 2282304390 JYLUNWMNLODTMX-ONGXEEELSA-N 425.740 1.652 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2290348266 QHQKYPXIQJSZAT-OAHLLOKOSA-N 441.322 1.358 30 10 IDEE Cn1cnnc1SCC(=O)Nc1ccc(NC(=O)CSc2nncn2C)c(C#N)c1 35148239 XGPIRZJUNZOURC-UHFFFAOYSA-N 443.518 1.277 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CCC1 430974990 HEWXMQABRAOUQE-UHFFFAOYSA-N 426.498 1.881 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)NCCCN2CCN(c3ccncc3)CC2)cn1 462079522 FJDLAHXWOXOVNW-UHFFFAOYSA-N 431.504 1.868 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cnn4cc(Br)cnc34)C2=O)cc1 489180193 QPWRJSUGBZIPNJ-MRXNPFEDSA-N 439.273 1.894 30 10 IDEE CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503608874 HVDPFUNDVWTNHV-UHFFFAOYSA-N 426.498 1.710 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2N2CCOCC2)CC1 506807453 VBGKBWGJHNQZAG-UHFFFAOYSA-N 426.542 1.901 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)cc1 515663771 NMBGMQXDGPZBRI-UHFFFAOYSA-N 444.516 1.807 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 532546357 JAORFVFCLHDCSS-UHFFFAOYSA-N 427.530 1.617 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1=O 541195646 FSVZLJRXVWLJQC-LJQANCHMSA-N 435.532 1.705 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(Br)cc3)CC2)n1 547777649 WIDOFEYCLBGOQD-UHFFFAOYSA-N 428.290 1.794 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccncc2OC)CC1 549698245 HGQAATCMFDDDER-HNNXBMFYSA-N 435.554 1.195 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCCO2)CC1 568003381 IIGZQBYJBRHYBY-IBGZPJMESA-N 425.537 1.333 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 604002754 XKWWIJLPYXEHRI-UHFFFAOYSA-N 432.530 1.958 30 10 IDEE COc1cc2c(cc1OC)CN(S(=O)(=O)NC(=O)[C@@H](C)Oc1ccccc1C#N)CC2 729909145 KGMDWJRCUVDNEA-CQSZACIVSA-N 445.497 1.762 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 732152640 FKLXCZKGFLAIQT-DTQAZKPQSA-N 438.341 1.681 30 10 IDEE N#C[C@@H]1CN(Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)CCN1C1CC1 732665921 ANCJEIKJZSURIU-CQSZACIVSA-N 431.488 1.443 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CC(C)C)c2=O)cn1 735069223 PBOOSMYGANEVJE-UHFFFAOYSA-N 436.541 1.709 30 10 IDEE Cc1ccc(F)c(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 744122106 UYRTYFYTUJXIMT-UHFFFAOYSA-N 428.452 1.954 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 762599849 XXHZITOBZQOJNH-QAPCUYQASA-N 435.546 1.973 30 10 IDEE CCOc1ccc(NC(=O)COc2ccc(C=NNC3=NC(=O)C(=O)N3)cc2OC)cc1 765594604 XGMZGCZESBGJDF-UHFFFAOYSA-N 439.428 1.047 30 10 IDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cc1 767229000 DVINDKQBDQCXJL-UHFFFAOYSA-N 443.529 1.840 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(Cc2cc(C#N)cs2)CC1 768903163 NXWFIRLGERPERW-UHFFFAOYSA-N 439.584 1.838 30 10 IDEE C#CCN(C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774233528 BVZHTFJPWQQCBR-HXUWFJFHSA-N 431.558 1.300 30 10 IDEE CCOC(=O)N1CCN(S(=O)(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 782261472 MCJJTZPPMYQZFV-UHFFFAOYSA-N 438.897 1.828 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C 783703116 SGAHBFQBLOEBOH-AUSJPIAWSA-N 430.567 1.802 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCCn1ccnn1 784125527 QPODRABWAWIJIY-QGZVFWFLSA-N 428.518 1.977 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H]4COCC[C@@]4(C(=O)OC)C3)ccc2c1=O 794251285 MEKSKKXCOBBCQM-LHSJRXKWSA-N 429.498 1.523 30 10 IDEE CNC(=O)c1cc(S(=O)(=O)Oc2ccc(C#N)cc2I)cn1C 798470747 LKDIIFLRXMVNQD-UHFFFAOYSA-N 445.238 1.629 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCN1C1CC1 802433737 YNWFINHLBQLXDU-CQSZACIVSA-N 429.905 1.139 30 10 IDEE COc1cc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1C#N 811936516 FYQCVQASHKTSAZ-UHFFFAOYSA-N 439.497 1.543 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cc(OC)ccc3O)n2N)cc1 1083897980 MVEDNTSRYVWODG-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)CC1 1141805831 CMEFUIDEOUKNFL-LJQANCHMSA-N 430.553 1.812 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2=O)cc1Cl 1142898889 SHMWTJSDQDLMHM-HZPDHXFCSA-N 431.924 1.268 30 10 IDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1147823700 UVYWRXJZHJFSEC-NRFANRHFSA-N 435.546 1.110 30 10 IDEE N#CC1(C[C@@H](O)CN[C@@H](CO)c2ccccc2I)CCOCC1 1176842556 VJSZWSPEVFKDOL-CJNGLKHVSA-N 430.286 1.986 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 1185675389 OSWBMZHXSIVCIK-SECBINFHSA-N 427.287 1.713 30 10 IDEE Cn1ccn2c(CCNC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)nnc2c1=O 1251106250 WDMKWGAZOODQCS-UHFFFAOYSA-N 440.895 1.027 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1COCCO1 1286275126 MZAAVZYUKFMEJU-NVXWUHKLSA-N 446.577 1.810 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1OC 1286298021 ZOSNFHKSHVIIDK-APWZRJJASA-N 447.561 1.320 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286386404 ZMZHLMBAFFCYJZ-CEXWTWQISA-N 437.610 1.528 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286386710 GIAPHGQLHBLLSJ-ROUUACIJSA-N 430.578 1.252 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1286457035 DEUXRMYHDIPQEM-CYBMUJFWSA-N 426.930 1.071 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCS(=O)(=O)NC)CC1 1286474448 FKRZVDKNNXVZLI-UHFFFAOYSA-N 444.605 1.547 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccnc(SC)c2)CC1 1286489973 FKFRGDOHPLFKGI-UHFFFAOYSA-N 448.556 1.866 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(C(C)=O)CC1 1286786358 CJTGRFGAFMEHJP-UHFFFAOYSA-N 448.531 1.492 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286787987 NYXLDHQSFUTQOT-PKOBYXMFSA-N 446.596 1.851 30 10 IDEE CC(C)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1288003548 BYSDJUBISCYAMJ-XUTLUUPISA-N 427.553 1.993 30 10 IDEE N#C[C@H]1CC[C@@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1299756170 GXZPELDBWRFYSQ-DOTOQJQBSA-N 436.509 1.247 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1300308610 CZYRRHPIUDJTLX-ZFWWWQNUSA-N 438.579 1.136 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1300490638 AFHNDMJQZGBBOP-IRXDYDNUSA-N 440.591 1.140 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1300556530 IOAISTCNJMZQQS-JTSKRJEESA-N 441.557 1.185 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nc(N2CCCC2)c1 1300630301 AKYWXVSRKCLLLI-IBGZPJMESA-N 442.589 1.992 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2snnc2C)CC1 1300722500 KHDKQLHRGAMAPA-MRXNPFEDSA-N 429.550 1.694 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(COC)CCC2)CC1 1300725631 IRICMMCBCULDAY-LJQANCHMSA-N 429.565 1.955 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)c1 1301019889 FIWGKUOMLAQHNM-UHFFFAOYSA-N 439.534 1.211 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)SC)CC1 1301085857 CAAHSNGJTLCUCX-HNNXBMFYSA-N 429.612 1.909 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1301251276 ASNKOISSDRITBA-OAHLLOKOSA-N 437.504 1.854 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1301425902 ZTDPYWFQCKEUAM-HNNXBMFYSA-N 448.611 1.032 30 10 IDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301470143 PQYPHKLQBDRWHR-IBGZPJMESA-N 440.504 1.818 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1301475032 KFTMJTAEYSFBLA-GOSISDBHSA-N 425.537 1.799 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(NC(C)=O)CC1 1301514916 OAKRYOUDDBSZBA-UHFFFAOYSA-N 440.548 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1301593945 YLHGWBBSVYTDOS-QGZVFWFLSA-N 447.561 1.468 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1301613112 TUCDDJGZZYIEFR-MRXNPFEDSA-N 429.612 1.767 30 10 IDEE CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1301910182 BDVSADVJVHRTRV-UHFFFAOYSA-N 432.488 1.960 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1301951619 BXMPIPYIWQAXDJ-CABCVRRESA-N 427.475 1.994 30 10 IDEE CC(C)[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1302762559 SZLJTJJYOCTSKD-YJBOKZPZSA-N 448.549 1.606 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCC(=O)N2)cc1 1302994659 PLZIMDKBKMZLLS-LJQANCHMSA-N 438.532 1.996 30 10 IDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1303531119 CNGJRBVPWIBKSQ-KDOFPFPSSA-N 430.486 1.383 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCC(=O)NC 1305520031 AUBCWLLDFAHHIK-CQSZACIVSA-N 426.525 1.991 30 10 IDEE N#Cc1cn(CC(=O)NCc2ccccc2Cn2cccn2)nc1I 1307362883 FTJXRFNIRJSEJV-UHFFFAOYSA-N 446.252 1.921 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCC2)CCOC1 1314110831 AVZKIFGQSHSODX-SFTDATJTSA-N 434.516 1.775 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)F)CC2)C1=O 1314921316 TYGPGQRSHXRJLP-NRFANRHFSA-N 429.475 1.682 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1Cc1ccc(C#N)o1 1316294226 UDORDZWYDPEFFG-ZWOKBUDYSA-N 442.520 1.868 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1350467842 LXVOPKACHXGHAG-MRXNPFEDSA-N 429.926 1.770 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1352160538 CVUPAIAUBOPVGW-QGZVFWFLSA-N 438.506 1.207 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358964800 HOUPEFPWVVERKB-GOSISDBHSA-N 431.562 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC1(C(N)=O)CCOCC1 1358981638 RBWRSWXKDJEHEF-UHFFFAOYSA-N 430.512 1.636 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ncn(C)n2)CC1 1359042480 IEAOSZCNHBPRKV-UHFFFAOYSA-N 439.911 1.136 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1359198289 MXKXMKQEMDLZBT-KRWDZBQOSA-N 433.582 1.966 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CCOCC1 1359240261 JXQSLDBJFAXLPH-HXUWFJFHSA-N 445.589 1.683 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1359243624 XVERQNRJMNNIFW-XMMPIXPASA-N 437.592 1.743 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359298206 QSFTXMLQUOBHST-UHFFFAOYSA-N 425.497 1.230 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359330060 FHYDNKWMVVLWQN-CQSZACIVSA-N 431.440 1.708 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1360302233 XHDOGSZUQOZGRM-UHFFFAOYSA-N 448.531 1.423 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)Nc3nc(Cl)c(C#N)s3)cc2S1(=O)=O 1436220229 FFOLSAZXHWRSPX-UHFFFAOYSA-N 426.863 1.711 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1 1463876206 OOGDLDQRJKHWFZ-UHFFFAOYSA-N 434.539 1.664 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3n2Cc2ccncc2)CC1 1471450528 CUPSUJIFTWTOAX-UHFFFAOYSA-N 437.525 1.310 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1cc[nH]n1 1471518734 DEDAXDNFCIKSGF-KRWDZBQOSA-N 442.472 1.883 30 10 IDEE CC(=O)N[C@@H]1CCCN(C(=O)Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)C1 1473062106 GTXZNMJCBVFWQO-JOCHJYFZSA-N 447.539 1.405 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCOc2ncccc2F)cs1 1492681556 AHRQTLBKAKFEEN-OAHLLOKOSA-N 429.481 1.976 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1494915378 DTJIFRYRQFLHEQ-YYAJDYIMSA-N 442.586 1.004 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1499969259 FICMBINOYIRWDH-GOTSBHOMSA-N 438.532 1.996 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503640625 OTRNCJBSZFMMBT-SGRLSNSRSA-N 437.504 1.406 30 10 IDEE CNS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](F)(C#N)C1 1503838367 GPORJWJEUHUBNF-GOSISDBHSA-N 438.554 1.870 30 10 IDEE CO[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1503968284 BIIFFLUEPBKFLR-WMZOPIPTSA-N 431.518 1.502 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1504994085 IXENRKTUCPKSRQ-SJLPKXTDSA-N 447.584 1.483 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1504999032 MFBBDQRSZFYQAT-HZPDHXFCSA-N 441.554 1.088 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCO1 1507520705 GDPXHPQZWDWYDT-WMZOPIPTSA-N 429.546 1.998 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 1507575485 GWWWUILDGDFVMF-OAQYLSRUSA-N 430.530 1.758 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507631776 UEJKWNUMABJOHJ-AVRDEDQJSA-N 439.541 1.808 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1507688855 FBJOYWMQEFQCPG-CYBMUJFWSA-N 441.355 1.299 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507720008 CVUIACNMZXQDRF-MRXNPFEDSA-N 427.940 1.663 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCC[C@H]2CO)CC1 1507721149 OYVDAZFUHJACBQ-QHCPKHFHSA-N 447.587 1.809 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNC(=O)C2CCC2)CC1 1507733117 OYCJIEPGZDTGDO-PMACEKPBSA-N 444.580 1.064 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1507879901 GMKYCUVSJPOBFO-IAGOWNOFSA-N 448.597 1.447 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@@H]1C 1507998840 UCGSCMDWJNIPSR-BVZALQNUSA-N 441.532 1.970 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(C)noc2C)C1 1508114286 KGNFEUDCWOXYAL-HOCLYGCPSA-N 438.554 1.517 30 10 IDEE CC(C)C(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1508803370 SWRPCHNQPPDNHG-UHFFFAOYSA-N 436.564 1.986 30 10 IDEE C[C@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1512222053 PCWDWBSGIKUEAW-YOEHRIQHSA-N 434.522 1.360 30 10 IDEE CCc1nnc(N2CCN(Cc3ccccc3C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513932820 PTSANUFXUDILNJ-FCQUAONHSA-N 449.559 1.998 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1517881970 SITXLQRNOBWAOZ-FQEVSTJZSA-N 432.550 1.761 30 10 IDEE N#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccccn1 1530820541 SOZVPTYVHPTQIO-HNNXBMFYSA-N 429.458 1.947 30 10 IDEE Cn1ccnc1C(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nccn1C 1532609431 IVASYYKBDQEZNQ-INIZCTEOSA-N 446.471 1.136 30 10 IDEE C#CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 1538266983 FQPRPDHLYVBNBQ-UHFFFAOYSA-N 429.336 1.954 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(OCCOC)CCOCC2)CC1 1539467122 NGHUPTNKYCZDBT-UHFFFAOYSA-N 447.580 1.580 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCCCCC2)CC1 1539476588 BYUNXSKKKVGROC-UHFFFAOYSA-N 437.548 1.786 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1540868509 IBRHOYRESLYDDP-UHFFFAOYSA-N 447.478 1.375 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC 1540880308 CVVYSABWVRBVQQ-QGZVFWFLSA-N 437.522 1.222 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1540908226 DEVRUYCODKOYGJ-HXUWFJFHSA-N 449.508 1.908 30 10 IDEE CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1541386437 OIYAXNNREKHFHY-GHTZIAJQSA-N 429.546 1.849 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1541997666 JTONCJDOAXRSMD-IRXDYDNUSA-N 442.545 1.355 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1545909339 BZWJNQZHBHHZAF-UHFFFAOYSA-N 427.509 1.768 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1cc[nH]n1 1546253373 SVMVDOZFYVPVTL-UHFFFAOYSA-N 442.520 1.254 30 10 IDEE CCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NCCOC 1548371108 SXXXAGQOQZKIFF-QGZVFWFLSA-N 442.438 1.393 30 10 IDEE CN(CC(F)(F)F)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554140719 LHTNOVISDUEASP-ZLUHGAPXSA-N 428.415 1.697 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643520 XUNHTPZCMFJGSY-IQGAEYHTSA-N 425.551 1.857 30 10 IDEE N#Cc1ccc(N2CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 1560077694 UPPYAOCYJZUPFS-UHFFFAOYSA-N 437.519 1.972 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCCOCc3ccc(Cl)cc3Cl)C2)c(=O)nc1O 1564472310 DZFRMVJDHHWJTL-UHFFFAOYSA-N 438.271 1.910 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1587651580 NTMFKGPJTLCVEN-QZTJIDSGSA-N 435.532 1.469 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCN(C)CCOC 1588094180 UBFNCFRUNCDALR-UHFFFAOYSA-N 433.354 1.697 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCN2CCCO)CC1 1588780073 GQLKVVHHBQFFRS-NRFANRHFSA-N 438.576 1.556 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)CN2CCOCC2)CC1 1588955217 RRCNKVJZIFSNMJ-GOSISDBHSA-N 428.581 1.165 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593747330 UPILFXDNRCMHKR-QVKFZJNVSA-N 432.525 1.189 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595405764 XBEUYNBVFLUZOA-QVKFZJNVSA-N 432.525 1.631 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 1595550641 GGZAMMSIZCVDDS-INIZCTEOSA-N 433.534 1.127 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)Br)C1 1595674586 QYDOLZUMAFCPTC-OLZOCXBDSA-N 434.360 1.578 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCSC2)C1 1595682088 WKNNNLPLGBYTJH-JRGCBEDISA-N 438.594 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1595772571 CSFSUCVLRWHCPN-MRXNPFEDSA-N 447.561 1.942 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1595805350 NOQVILVXZXWSBJ-UHFFFAOYSA-N 427.534 1.720 30 10 IDEE CC(C)Cc1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1606608027 IXAHZRNMBQHYQA-SGRLSNSRSA-N 427.553 1.678 30 10 IDEE Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1612462737 HZVFRXACUHQWKE-KUHUBIRLSA-N 434.570 1.417 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c1 1617781290 VUFHSYDKFXOQOB-UHFFFAOYSA-N 439.472 1.961 30 10 IDEE C[S@](=O)CCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1618238862 CMWOBESWMPTQNE-SANMLTNESA-N 439.379 1.280 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619774459 BRHDWODELUBDJG-QKKBWIMNSA-N 428.493 1.104 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1620354654 BJFWSUUKPXQROC-RTBURBONSA-N 445.545 1.516 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CCCC1 1620384694 DUDPHJHENYEQDJ-ZPHPHTNESA-N 441.517 1.396 30 10 IDEE C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OCC 1624304686 YLPICHSRLFCNCS-TWMKSMIVSA-N 428.551 1.110 30 10 IDEE CC#CC[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1628511444 ZQIQFLQVRKVUGC-AOMKIAJQSA-N 449.507 1.660 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncc2c(n1)CCC2 1629662243 FELPSWBKCSCECT-QGZVFWFLSA-N 427.530 1.879 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(C2CCOCC2)CC1 1632597586 YILUHKCAIICFNC-UHFFFAOYSA-N 434.562 1.122 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CC)(N3CCOCC3)CC2)s1 1634888615 FAGCJZOYCCLIHV-UHFFFAOYSA-N 441.619 1.858 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)C1=O 1635154115 MFYCZQYEZINPMJ-AWEZNQCLSA-N 436.509 1.505 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H](O)CN1CCCC1=O 1635997918 OKZHIYYQJGZMIU-XLIONFOSSA-N 442.516 1.492 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)c1C#N 1638117247 PBHLCQLOWISFKD-GOSISDBHSA-N 426.477 1.409 30 10 IDEE Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1cccc(C(F)(F)F)c1 1641033788 IBMUABLEVWUICO-UHFFFAOYSA-N 432.362 1.764 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOC(F)(F)C(F)(F)F 1644887605 SAUXXUVBNWMEAR-UHFFFAOYSA-N 429.367 1.793 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1OC 1647932518 DQONACURQDIYTQ-UHFFFAOYSA-N 430.486 1.177 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)ccc1F 1648903441 MOCZMMIOYNCSSI-UHFFFAOYSA-N 439.509 1.983 30 10 IDEE N#CCC1(O)CN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 1654251115 BKXLUXRFZGXICH-UHFFFAOYSA-N 426.926 1.413 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC3(CC2)C[C@H](O)CNC3=O)n(C2CCCC2)c1C 1654980902 CDXLEFFPKRSPTF-SFHVURJKSA-N 427.549 1.993 30 10 IDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCN(c2cnccc2C#N)CC1 1675061358 UMGABTKCYDJNFY-UHFFFAOYSA-N 432.525 1.716 30 10 IDEE Cn1ccnc1[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(F)cc1F 1676638263 ZCWPYGCJXIPWND-MOFZMDFASA-N 435.456 1.367 30 10 IDEE C#CCN(C(=O)NCCS(=O)(=O)CC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1678753501 KUEYEXBFBWAGEF-UHFFFAOYSA-N 427.567 1.856 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N1CCOCC1 1689966116 LBZIIJXIIXEGQD-SJORKVTESA-N 449.602 1.385 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689986156 JVVZRUOMYJBFJV-DLBZAZTESA-N 446.577 1.215 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689988526 QZDHGSNUVHUCGA-NSHDSACASA-N 445.423 1.195 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1689999632 FIHQOCYOWXLWQD-HOTGVXAUSA-N 434.591 1.326 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1690037245 RLSWMLGYXQQJFS-JTSKRJEESA-N 442.541 1.351 30 10 IDEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690474230 XHFHWGDOMNCTLC-UHFFFAOYSA-N 438.532 1.847 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1690622738 WVHRHGGMLAPVRY-UWJYYQICSA-N 434.562 1.727 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690674157 QXTBWLWVOSDDIA-UHFFFAOYSA-N 445.593 1.820 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)C)CC1 1690675991 LZKSLZGQHRVHAW-UHFFFAOYSA-N 437.548 1.951 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1695537949 KXOMCSBCWQRVGX-LJQANCHMSA-N 446.577 1.408 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1695764951 FMDVBKCLFCUQEH-LJQANCHMSA-N 435.575 1.556 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnc2C)C[C@H]1O 1697064186 GJLHZKAISYRMCN-WOJBJXKFSA-N 449.515 1.772 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@@H]2CCOC2)cn1 1705587667 DRYFKPKXLYWXCH-DYXWJJEUSA-N 438.532 1.476 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705655649 IGJRANOATVQHLF-INIZCTEOSA-N 449.989 1.987 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccc(C(F)F)n2)CC1 1705762892 LAJUDNKWAYLEHS-GFCCVEGCSA-N 427.481 1.821 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1705849853 YKQZMAGBOVVNPE-AWEZNQCLSA-N 445.611 1.401 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705894344 VUKBNQFVFFHPQQ-MDNKFWRPSA-N 432.569 1.177 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1705900693 MGHWGYQNBOVNSO-UHFFFAOYSA-N 443.515 1.544 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(CC)cc2)C1 1705901670 SPHOLKQRXXAJHM-MOPGFXCFSA-N 438.532 1.672 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705939384 DDWXQUFPTZMPEX-HNNXBMFYSA-N 433.538 1.703 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 1705992997 WCNYMLUHAYMSGG-NXHAUGRDSA-N 427.509 1.129 30 10 IDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)N(C)C 1706798870 IBJUGPYFPXCDBD-AFYVEPGGSA-N 442.589 1.874 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(O)CCC1 1706895205 HZGWYGKWYDDSDI-NXHRZFHOSA-N 444.561 1.547 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCOCC2)CCOC1 1710448656 PNEBFKJMDDQITL-JOCHJYFZSA-N 432.569 1.783 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1712510120 BZHYKNMTXCVFMJ-LPHOPBHVSA-N 447.561 1.945 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722299612 JEHWTUPGRWCKQR-QGZVFWFLSA-N 435.532 1.977 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1722507483 PIZJYJKXUFAFCH-TZIWHRDSSA-N 439.564 1.579 30 10 IDEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1722654171 RJUYDNFJWJBDBU-CBGDNZLLSA-N 438.594 1.901 30 10 IDEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1726754169 IFJWFGOUALMGPJ-HNNXBMFYSA-N 435.575 1.820 30 10 IDEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)cs1 1730532083 FYKASSYUFHVHEU-UHFFFAOYSA-N 446.558 1.949 30 10 IDEE COCCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1730724255 OTMNWGWWAJUSAZ-DQRAZIAOSA-N 449.515 1.890 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1731013740 KCWGSOWWGWXFCP-UHFFFAOYSA-N 432.550 1.497 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccccn3)n2CCOCCCO)CC1 1731184973 NDPHORJZUXTYNJ-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1740627198 OPMRTAZWXGIXIF-WMLDXEAASA-N 436.484 1.735 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1740700764 HBBWWJZPEXGOSB-QGZVFWFLSA-N 439.507 1.716 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@H]2OC)CC1 1740701194 XRTDPVJIJUBDGP-QZTJIDSGSA-N 430.553 1.197 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1740711165 IXEIWYKDGKGJNM-MRXNPFEDSA-N 447.586 1.417 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)CC1 1740833560 SQSXDAPNIYHTOV-LBPRGKRZSA-N 425.584 1.753 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740968259 GKJMKJOYHPLSIX-AEFFLSMTSA-N 438.532 1.552 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(O)cc2)CC1 1740990295 PQTQLNGLVMKKEP-UHFFFAOYSA-N 442.545 1.906 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1748751031 AYEJBXVUIHNVJS-QGZVFWFLSA-N 437.566 1.508 30 10 IDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748783773 SHQYJDBKIRPPCA-INIZCTEOSA-N 426.546 1.788 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1748802179 MUQXQTMXZOMSON-KRWDZBQOSA-N 433.578 1.577 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748809184 KIFOWUIQKJCWDC-LJQANCHMSA-N 435.513 1.225 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCS(C)(=O)=O)CC1 1748977179 DGIPROWFXYUJMU-MRXNPFEDSA-N 435.525 1.357 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1749034100 WCAWHJVUNRYSNR-JKSUJKDBSA-N 432.594 1.727 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749261867 BJWVTVIVIBZQSN-RDTXWAMCSA-N 432.960 1.420 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749266738 KVPAZRNWJRRLKM-ZIAGYGMSSA-N 431.946 1.012 30 10 IDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)C1 1749454989 OQCMQDSACAMMEG-UHFFFAOYSA-N 447.565 1.109 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 1749658642 SNKUURNJLBZFTE-CYBMUJFWSA-N 449.284 1.878 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1751091057 DYYJWOSLYLHAAU-NSHDSACASA-N 429.344 1.829 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1751316123 PMCULLUBBFWPPK-GOSISDBHSA-N 435.488 1.714 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1760160249 CALJXTSFEXFCGH-SFHVURJKSA-N 439.541 1.650 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760193190 WGQNOBAAJQXMIG-SJORKVTESA-N 448.545 1.527 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC=CCO2)n1 1760252173 KBVHTJAEQRFSBK-TZIWHRDSSA-N 440.548 2.000 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2nc(C)cc2C)CC1 1760261090 KGNCBUFSZNRBJB-UHFFFAOYSA-N 435.580 1.799 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nncn2CC)CC1 1760267244 XCGKRTZNILBXHU-UHFFFAOYSA-N 448.531 1.579 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760305504 HYMMSCHYAPIYCW-GOSISDBHSA-N 436.358 1.888 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760537613 PTVRTCACZSMSIX-IRXDYDNUSA-N 435.550 1.909 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(C2OCCO2)c1 1760689530 ZCPKDXNXZFOYPQ-GJZGRUSLSA-N 448.549 1.578 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOCC(F)F 1761479472 PESDKEAPWUNHFE-CYBMUJFWSA-N 434.513 1.690 30 10 IDEE CC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCN1CCOC 1763465086 AIMLJEFPSNASKU-DPPKGPFUSA-N 445.568 1.475 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC 1764177766 TXYUWIKPNGFWIJ-UHFFFAOYSA-N 440.552 1.826 30 10 IDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1764580740 IBDWKXHECPONPL-GOSISDBHSA-N 448.531 1.982 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1767229931 YXJKZKZZNCRANB-QFIPXVFZSA-N 439.520 1.474 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2CC(C)C)CCOC1 1767472176 CTNUBIJFGLJZAX-QFIPXVFZSA-N 442.568 1.826 30 10 IDEE CNC(=O)CCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1769293961 OYAPAKHUAFYBNY-IGGDJGDASA-N 445.524 1.009 30 10 IDEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)C(F)(F)F 1769600343 JPPNFWYOSCWDCK-HOTGVXAUSA-N 449.437 1.998 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1770019546 YHVJRUWAFBUARL-GJYPPUQNSA-N 425.555 1.567 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1771006830 HPCXAHAQFBPDSW-QAPCUYQASA-N 437.504 1.668 30 10 IDEE CC(C)(C)N1C[C@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1=O 1851234453 IGAYVWOSNNGUGN-QUCCMNQESA-N 429.517 1.828 30 10 IDEE COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCO[C@H](C#N)C3)Oc3ccccc32)cc1 1852444715 WZJOHRKTKONPAQ-OXQOHEQNSA-N 443.481 1.402 30 10 IDEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 1852669855 ZIQXWZVMTAOADD-UHFFFAOYSA-N 433.472 1.610 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858336025 RLKMGXOGCZOKOP-KRWDZBQOSA-N 448.526 1.258 30 10 IDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 1861579846 OYPWVTCHOWWLDY-XPKDBEDXSA-N 439.306 1.744 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c(O)c1 1862750646 AJAIDGKIPFKJHM-GOSISDBHSA-N 441.396 1.720 30 10 IDEE COc1cccc(Cn2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 1870107103 SFBPYZIDQXOZIG-CYBMUJFWSA-N 430.424 1.830 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCOC 1870569992 LKCNFBRBMUEHAU-UHFFFAOYSA-N 433.534 1.846 30 10 IDEE CCOC(=O)c1sc(C2=C(N)N(CCN3CCOCC3)CC2=O)nc1C(F)(F)F 1873528257 NZDFBXORKVEJJC-UHFFFAOYSA-N 434.440 1.183 30 10 IDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1cccnc1 1874209848 HVCNLWLEJZPNCB-SCWWFSKWSA-N 435.513 1.649 30 10 IDEE N#Cc1ccnc(O[C@H]2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)c1 1889759969 FSJRALYEIXFOKD-INIZCTEOSA-N 426.454 1.449 30 10 IDEE COc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1[N+](=O)[O-] 1890243163 YQCBYRXREANIBA-UHFFFAOYSA-N 430.505 1.475 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@]1(F)COCCN(C(=O)OC(C)(C)C)C1 2011324372 HWASTDQOFJAEDS-CQSZACIVSA-N 431.324 1.790 30 10 IDEE Cc1cc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)sc1C#CCN 2137576946 DGVNMYPMQDZNFI-UHFFFAOYSA-N 431.539 1.472 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2141670119 KTEIVEUOBNENRR-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248413265 URRUUGAKEDPZLB-GOSISDBHSA-N 442.347 1.128 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CCOC[C@H]2OCc2ccccc2)OC1(C)C 2255618331 HIOSOLXQYFPDGA-ZWKOTPCHSA-N 427.310 1.813 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(N)=O)Cc1ccccc1 2255640030 ISBQXHITBAEHKL-UHFFFAOYSA-N 426.326 1.720 30 10 IDEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CN(C(=O)OC(C)(C)C)C1 2255694568 PRHDFVAPVOTYFC-GFCCVEGCSA-N 435.334 1.100 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2256624168 KMFAYRNNLJBSSE-INIZCTEOSA-N 438.305 1.627 30 10 IDEE Cn1cc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1 2256929380 PWLXEWGMPGYCJJ-INIZCTEOSA-N 429.282 1.119 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2267107119 JHXOPJCDHXRKAZ-MRXNPFEDSA-N 449.357 1.501 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267184882 YEDSCTYTHXUTJQ-GJZGRUSLSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](CO)C1 2267270672 MWWKFMWBEKLPEM-MRXNPFEDSA-N 447.341 1.435 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NCCc2cnn(Cc3ccccc3)c2)OC1(C)C 2267280070 NFKCPWIFGZWUFY-UHFFFAOYSA-N 433.321 1.993 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC2(CN)CCN(Cc3ccccc3)CC2)OC1(C)C 2267514695 CUEPQYRMXBCYTQ-UHFFFAOYSA-N 439.369 1.432 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c(F)c2)OC1(C)C 2270590855 IWBXGKUAGHUFQT-UHFFFAOYSA-N 445.222 1.803 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=[S@@]3(=O)CC[C@H](N)C3)cc2Cl)OC1(C)C 2282316786 HZDQAISIFLWDGB-OLUQVHSISA-N 440.805 1.588 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CC4(C3)OCCO4)c(F)c2)OC1(C)C 2282831997 HSIYUQBLCQEHTP-UHFFFAOYSA-N 427.303 1.556 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CSC[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2284415800 ZWOMQAWVMAXMED-SECBINFHSA-N 439.773 1.849 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(C)c1cccc(C#N)c1)NC(=O)OCc1ccccc1 2286046747 YXUTWKOBJWHHAV-GOSISDBHSA-N 431.470 1.792 30 10 IDEE NC(=O)CC[C@H](NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)O 2297471147 HIXCLYZMFJEMTD-AWEZNQCLSA-N 430.438 1.578 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)CCN(Cc2ccccc2)C1 2319991948 XZXYVOXVFFYMDG-ROKPMTFOSA-N 439.560 1.964 30 10 IDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(O)c(O)c1 2328471515 YBIVXJMBADKFNW-UHFFFAOYSA-N 428.430 1.648 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C=CCN2C(=O)OC(C)(C)C)n1C 2337398279 NMHQKUYCSIOOJV-HNNXBMFYSA-N 446.357 1.933 30 10 IDEE CCOC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2C#N)C1 44357431 LHFMGLRYZZBXHC-ZDUSSCGKSA-N 426.520 1.497 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 109886752 IVXUQKJTFJPPEE-RTBURBONSA-N 448.508 1.518 30 10 IDEE N#Cc1ccc2ncc(CNCc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)n2c1 238051418 BSOUKEJJCVUVIU-IBGZPJMESA-N 425.514 1.953 30 10 IDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CO)(C(=O)O)N[C@H]2c1cc(Cl)cc(Cl)c1Cl 248229979 KNWFXAJGXWTUID-JPVZDGGYSA-N 445.686 1.731 30 10 IDEE CCOC(=O)[C@](C)(NC(=O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 431221174 CXLDQCXNRPAYHZ-OAQYLSRUSA-N 430.482 1.935 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)c(C#N)cn1CCOC 432424946 RUXPUFLHUUKTEP-OAQYLSRUSA-N 434.493 1.985 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)CC)n(C[C@H]2CCCO2)c1=O 478755815 UBLYHWCCDWYVFN-MRXNPFEDSA-N 428.558 1.814 30 10 IDEE CN(C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1)c1ccccc1 488120736 QWHJMAAPUGNVSH-GOSISDBHSA-N 435.505 1.848 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CCNC(=O)c2ccccc2F)CC1 508829154 XYCKLWUHFZQNKI-LJQANCHMSA-N 444.511 1.243 30 10 IDEE Cc1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1S(=O)(=O)NCC#N 520352961 OFKFLDIYTUUJRX-MRXNPFEDSA-N 428.518 1.743 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(OC)c(OC(F)F)c2)CC1 522310587 AYNRVJBXRYPBCQ-UHFFFAOYSA-N 426.464 1.469 30 10 IDEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 541138119 IQQYJQBBJVGCOV-AWEZNQCLSA-N 428.880 1.853 30 10 IDEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1C#N 564138122 AZTCLCKKXCSFGO-UHFFFAOYSA-N 433.490 1.388 30 10 IDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@H]2CCCO2)cc1C 574309971 CUBGTNNGNZXOHJ-LJQANCHMSA-N 448.548 1.825 30 10 IDEE Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C[C@@H]2CCCO2)c1C 590052184 WBTJQAMAZJZRAJ-SFHVURJKSA-N 448.548 1.825 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C[C@H]1CCCO1 590915712 LAUPXBBJULRZES-QGZVFWFLSA-N 441.553 1.435 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 604545551 BUXNNSRPLQQHNT-KRWDZBQOSA-N 435.465 1.915 30 10 IDEE COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609257071 RCOVBQZGIDKYNB-ZDUSSCGKSA-N 448.476 1.265 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2nccc3ccccc23)c(=O)n1C[C@H]1CCCO1 610128554 XSJNDDJUGYRNDV-QGZVFWFLSA-N 446.532 1.419 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCOC[C@@H]2CCOC2)CC1 610139006 CMGKXOQWKUHDNH-KRWDZBQOSA-N 436.534 1.017 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 679755516 UNYWIQUAQRZASP-UHFFFAOYSA-N 443.594 1.566 30 10 IDEE COc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(C(=O)N(C)C)cc1OC 729883837 BMDHCKMOVUGLHO-UHFFFAOYSA-N 428.420 1.671 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(CC)c1 730137696 HJHCPXZQQRGESB-MAUKXSAKSA-N 447.605 1.773 30 10 IDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 731213396 AZZWHOGBDDWRRG-MOPGFXCFSA-N 432.542 1.634 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 732152944 CQVWWMWKMKKQIU-KQWMAYLNSA-N 444.488 1.359 30 10 IDEE C#CCN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 735040873 XNUXLUZBWFDVIP-MYYSRTQBSA-N 446.388 1.986 30 10 IDEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 736548825 AUKMSAKPDQNTJQ-AWEZNQCLSA-N 437.461 1.214 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C1 754419655 HSQHZQZPHQEUAX-INIZCTEOSA-N 434.518 1.763 30 10 IDEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760781853 XSGYRRRNCDTTDN-UHFFFAOYSA-N 431.493 1.741 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](NC(N)=O)C2)cc1 762947580 NVMCRFKNTJSRMU-WSRQSJKRSA-N 436.538 1.554 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 763433844 FQAZTYWCBRMEGW-QGZVFWFLSA-N 449.532 1.822 30 10 IDEE COc1cc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)ncn1 764741247 RZXPRZRDUOQKCK-CABCVRRESA-N 431.497 1.076 30 10 IDEE C#CCn1c(=C(C#N)C#N)sc(=Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)c1=O 766395712 UTQZNPZINJELMX-UHFFFAOYSA-N 429.505 1.440 30 10 IDEE CC(C)CN(CC(F)(F)F)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767631728 SCESDXFPBCXGBM-CYBMUJFWSA-N 449.451 1.815 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 777742406 GECMDUGYXMMYIZ-UVTIVQHFSA-N 435.843 1.410 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 778046344 HTEZNCQGUWSGCV-CRAIPNDOSA-N 435.546 1.973 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 780857044 TYPCLDKBPGUAQH-NRFANRHFSA-N 425.510 1.613 30 10 IDEE COC(=O)[C@](C)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 794712215 QVTGTJIFUFEBQF-OAQYLSRUSA-N 447.488 1.849 30 10 IDEE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 810351271 ODBFSCPNIPTZED-IBGZPJMESA-N 442.497 1.475 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 818516384 LQAQVKOWZRBILF-QFIPXVFZSA-N 436.447 1.208 30 10 IDEE Cn1c(=O)ccn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1=O 1134620286 DQKVQFMMMMIUQI-HTQZYQBOSA-N 435.271 1.176 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 1146248016 SPABHVJAOCWORL-CYBMUJFWSA-N 439.490 1.843 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 1157009651 QWWGUARRVFSPOO-UHFFFAOYSA-N 446.551 1.566 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2O)c1 1193729815 JADXMGCDXYOHEE-ZIAGYGMSSA-N 432.502 1.645 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)cc(Br)cc2OC)CC1 1198784141 UNEGBNCOXARCDX-UHFFFAOYSA-N 445.339 1.383 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccncc1Cl 1286294220 CDOBWHBUPAVRHL-XJKSGUPXSA-N 438.941 1.166 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCC(=O)N2)c1 1286312229 VMONUTAJKIUTRM-HXUWFJFHSA-N 443.511 1.599 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1286387050 NFQOJCFXARFHHW-GOSISDBHSA-N 438.513 1.419 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286393123 JONWXSNPURHQML-RTBURBONSA-N 429.546 1.316 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286397470 ZQAICCCMULKSMK-OALUTQOASA-N 437.610 1.529 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1286451373 IRIWYZJVBDWLEJ-OAHLLOKOSA-N 446.533 1.353 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)C1 1286782009 HLEYFVADLKCDKU-UHFFFAOYSA-N 425.461 1.496 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)CCO1 1291278738 BCZCIPMECKOJFX-QUCCMNQESA-N 440.548 1.801 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)C1 1296165457 ANFXPABVVVHCTK-PWSUYJOCSA-N 430.383 1.947 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1298198637 MHDLUFZSZGGGQR-QGZVFWFLSA-N 446.458 1.536 30 10 IDEE Cn1nnc(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCO[C@H](C#N)C2)n1 1298905337 CHXQVUYNZVSNQS-LLVKDONJSA-N 448.260 1.147 30 10 IDEE CO[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1299564246 SUPRMDYNUUCFQL-OWCLPIDISA-N 436.513 1.350 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1CC 1300317686 SVIRTHNEZIUGNB-HXUWFJFHSA-N 447.591 1.760 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300432545 LFTUQKQMFPSPHH-CQSZACIVSA-N 437.426 1.258 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1300496028 MXXWKEVCEHETQX-ZWKOTPCHSA-N 438.594 1.862 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1300603638 VHETURIWPAEOOY-NRFANRHFSA-N 432.546 1.842 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1300769395 GDZTZQRIVIQYAK-RXVVDRJESA-N 430.578 1.890 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCS(=O)(=O)C1 1300907230 XHCMKOXXSGQWES-MRXNPFEDSA-N 442.549 1.758 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1301496766 GOQRCBZIODOGMU-MRXNPFEDSA-N 426.525 1.170 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)CC)C1 1301565057 CNDBVWUIXSTFCC-HNNXBMFYSA-N 432.550 1.529 30 10 IDEE COCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302224049 YSQNRTYMXXAAKX-QGZVFWFLSA-N 431.928 1.833 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1303626993 BHHYTOBMNUQFIF-QGZVFWFLSA-N 446.577 1.809 30 10 IDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1307872050 KDRSAFLSRIKYEM-LJQANCHMSA-N 429.586 1.744 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1314550694 FQKTZTFOEYHORS-QGZVFWFLSA-N 441.558 1.405 30 10 IDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)nn1 1348111680 CNECBEGGSVHHTL-UHFFFAOYSA-N 435.506 1.526 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)c1 1355123257 GTLQMNYRSOIPLV-HNNXBMFYSA-N 431.539 1.666 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358958462 OOTJCUBFPSXBEM-KRWDZBQOSA-N 433.490 1.517 30 10 IDEE C#CCN(c1nnc(CC)n1CCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1358963333 GKLMCMVETIWJSU-HXUWFJFHSA-N 427.574 1.526 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358964933 KGJDGDPCAVRGKB-WOJBJXKFSA-N 444.557 1.219 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@]2(C)COCCO2)n1 1359028156 IXYVVQIOBNKKPS-QFIPXVFZSA-N 428.537 1.834 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2([S@@](C)=O)CC2)CC1 1359046181 HPYCLYBRLBOTEG-WJOKGBTCSA-N 440.573 1.141 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1359103121 KHHFWKCMFKSQCI-UTKZUKDTSA-N 430.553 1.487 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359145764 BPSCKTYATXRQCH-MRXNPFEDSA-N 448.940 1.687 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1359183764 TVYSPOPYDUKPED-HNNXBMFYSA-N 427.509 1.479 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@@H]1C 1359215982 NBRJTJUPAKWPPP-XHSDSOJGSA-N 429.612 1.907 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N(C)C 1359262677 AWHYWTBREKTBRR-UHFFFAOYSA-N 433.563 1.881 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1359272000 IOAFOGHNPRQCLC-INIZCTEOSA-N 430.534 1.898 30 10 IDEE C=CCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290448 BJDVCWJDUAEVEV-OAQYLSRUSA-N 431.541 1.908 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359299175 XRASRLRYVSWPCH-QZTJIDSGSA-N 446.552 1.086 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1440437241 PJAJYHXOSMSSEB-RMKNXTFCSA-N 447.444 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1443587589 XFFWHKHBIDOTJY-UHFFFAOYSA-N 445.607 1.132 30 10 IDEE C[C@@]1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCO1 1460853801 AZTGEMXCNYRDKW-JOCHJYFZSA-N 446.573 1.013 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)s1 1478848820 JJJYKPDGWHPZLR-UHFFFAOYSA-N 448.555 1.841 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C(C)C)C[C@H]1O 1503881552 OBEYABZXYNNWSW-GUDVDZBRSA-N 427.505 1.848 30 10 IDEE COCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCC1 1504632583 BVXIRJIURIHWID-UHFFFAOYSA-N 445.545 1.780 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507592693 DKEPZBNXUYAYNR-UHFFFAOYSA-N 438.580 1.486 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1C[C@H](C)O[C@@H](C)C1 1507690846 YBWFMORMHRDQBM-BQFCYCMXSA-N 439.582 1.274 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@]2(O)CCN(C)C2)n1 1507717818 ZEDORFVITYMKAM-QFIPXVFZSA-N 427.553 1.095 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CC=CCC2)CC1 1507718316 OCRVBFYMBLZRSA-UHFFFAOYSA-N 436.560 1.979 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1507739437 PXXBKBDDKHAWID-WMZOPIPTSA-N 430.553 1.053 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507972480 WPCLTKBPWCPZEO-UHFFFAOYSA-N 438.580 1.722 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508075135 VCIMTZJRFUGIJE-MRXNPFEDSA-N 437.953 1.914 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)C1 1508108115 DSKZMFKOPIFVTE-OAHLLOKOSA-N 434.522 1.141 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1512525569 AHOSPQMUCAGLTR-RGEMVIMISA-N 427.553 1.775 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(SC)CCOCC1 1513406497 BNWNLXVJPCFCJX-MRXNPFEDSA-N 436.582 1.837 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C(C)C)C(C)C)CCO1 1517534243 DKYIHQZLTCOMDQ-HXUWFJFHSA-N 439.564 1.887 30 10 IDEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1519509902 OUPYZKMAALDTAM-DLBZAZTESA-N 431.518 1.353 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3Cc4ccc(C#N)cc4C3)cc2)CC1 1526772644 CWNLEKZUPWFTSZ-UHFFFAOYSA-N 438.509 1.567 30 10 IDEE Cc1nc(=NC(=O)c2nn(C)cc2I)n(-c2ccc(C#N)cc2)[nH]1 1539010822 MCTVIGNECFQUMW-UHFFFAOYSA-N 433.213 1.460 30 10 IDEE C#CCCCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1539140906 RPWMDAGMCALWDY-HSZRJFAPSA-N 431.581 1.892 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1539221664 RBZNNQADRATCJF-HKUYNNGSSA-N 432.521 1.791 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539327669 COCWGPBPXPLGEP-SFHVURJKSA-N 443.548 1.752 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C(=O)NC 1539617570 XIJAAFHMGDTQQP-NUJGCVRESA-N 441.536 1.725 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1539872065 XQIRZISIQBSVMN-INIZCTEOSA-N 431.541 1.587 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1c(C)nn(Cc2ccccc2)c1C)c1cc[nH]n1 1540444466 PSUCPKHPHPQHAT-UHFFFAOYSA-N 438.488 1.872 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1540886797 JRDLSKJUWGNLED-WIYYLYMNSA-N 448.545 1.285 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1540898380 IWXLXWCKIHILAW-INIZCTEOSA-N 427.571 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCCC2)C1 1540902244 DZKYAJVKLUZYPA-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1548280014 DXMXORXDUFLJTO-UHFFFAOYSA-N 432.550 1.020 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1552709053 IHEDTUXZLFFXQQ-QHCPKHFHSA-N 437.548 1.596 30 10 IDEE CS(=O)(=O)C[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556808190 BNZVGHHBXHSIJA-NVXWUHKLSA-N 432.502 1.046 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CCO2 1565340491 GJKVIRZSDPMZOF-YTCBPCPPSA-N 426.517 1.907 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1583662384 ZNFKCDMBSHEKTC-STQMWFEESA-N 427.452 1.902 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1588035779 XTMUSJRUXNRMBN-GVDBMIGSSA-N 442.607 1.382 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588075010 VMCIRBWVAJTSSO-YESZJQIVSA-N 437.566 1.061 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1C1CC1 1588180124 BLGULYWSDBPZII-HKUYNNGSSA-N 432.594 1.368 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(Cc3cccc(OC)c3)CCCCC2)CC1 1588199034 GOMFJDXNWRBPDH-UHFFFAOYSA-N 433.574 1.800 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1588314694 NJQRCRVGDSTHQG-HNNXBMFYSA-N 440.529 1.878 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccn(C)n2)CC1 1588733479 UTZQBHYRJHKBEU-UHFFFAOYSA-N 446.559 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(OCCN(C)C)cc2)CC1 1588892168 YKPUVLWGYBDNML-UHFFFAOYSA-N 438.576 1.735 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1588975901 MSJGXTXMJADMKM-UHFFFAOYSA-N 441.561 1.596 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1589495410 QTOKSNCRVPDWQJ-IHPCNDPISA-N 434.585 1.231 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCNC(=O)C1 1589567170 AZJKEQVXFHJDDN-HRAATJIYSA-N 427.505 1.783 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCCN(CC)C(=O)C1 1595556135 OUYJEXWLPNTINU-UHFFFAOYSA-N 432.475 1.508 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(c2ncc(C)s2)CC1 1595570091 XABSEERUIUJDNP-UHFFFAOYSA-N 443.577 1.852 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(NC(C)=O)CC1 1595593580 GNBCIIYNPDIRJT-UHFFFAOYSA-N 440.548 1.827 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C[C@H]3CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1595602491 LHRWYBQHDYDSIV-PWHSHALESA-N 447.580 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1595776631 CEWTZVFNCDMKOC-FQEVSTJZSA-N 435.525 1.647 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1610055742 IBANTGJYNQGTNU-UHFFFAOYSA-N 449.494 1.597 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1612942931 GYHILOPFDANADM-HYLQGWQCSA-N 444.536 1.702 30 10 IDEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1619479619 BHQWVPDASJQPSM-SEVFCGSRSA-N 428.534 1.535 30 10 IDEE COCCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619837151 VLVFRIMDCDZTBK-ICSRJNTNSA-N 431.585 1.317 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O 1626200525 IVFJHRSZOZTWGY-JGFGOQIWSA-N 435.527 1.676 30 10 IDEE N#Cc1cn(CCC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c(=O)nc1O 1626547939 HZKQWWBWDWSOFK-OAHLLOKOSA-N 433.262 1.573 30 10 IDEE O=C(C[C@@H]1C(=O)Nc2c(Br)cccc21)NCCN/C(O)=C1\N=CC=CC1=O 1632879898 ACUVTINSJSAZSQ-YFUPBZDXSA-N 433.262 1.518 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1 1636475798 XRWZAXWXNCPLRZ-UHFFFAOYSA-N 425.510 1.451 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cccc(F)c2C#N)C1 1637803674 WLZGFFHMQREZPQ-CYBMUJFWSA-N 425.482 1.851 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1638699540 LZJOXANNEPUWKC-UHFFFAOYSA-N 435.531 1.630 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)CC1 1645718620 BCANHNWJQIOUOG-MRXNPFEDSA-N 429.525 1.208 30 10 IDEE C[C@@]1(C(F)F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1646123197 GFDPHOVFTIFAOG-IBGZPJMESA-N 427.473 1.842 30 10 IDEE C[C@H](CC(=O)NCC[C@@H](NC1CC1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1649120775 LHJPORLHDIIFCM-IAQYHMDHSA-N 432.468 1.693 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)ccc1F 1650739890 SLPAJJPDQAWHMG-QZTJIDSGSA-N 425.526 1.398 30 10 IDEE C#CC1(F)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1651092266 KJBVKUZHNGCBLZ-UHFFFAOYSA-N 448.520 1.193 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1654577825 QATNOWRIMWWJGC-AEFFLSMTSA-N 429.458 1.543 30 10 IDEE N#Cc1cccc2c1CCN2CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1654793166 DJZMEDGRHHMCPL-UHFFFAOYSA-N 440.525 1.258 30 10 IDEE C#CC1(O)CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 1659571420 UYQVXDACWCIWFB-UHFFFAOYSA-N 431.558 1.210 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)C(=O)OC 1664950600 CMRRGNMVCYUWSU-OKZBNKHCSA-N 440.518 1.450 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)CC1 1677401639 FPNIOPRTCCPQKM-MRXNPFEDSA-N 433.505 1.929 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC#CCO)CCN(C(=O)OC(C)(C)C)CC1 1684765313 NDNKWRBJLHRSRY-UHFFFAOYSA-N 440.541 1.482 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1F 1689852469 FRJTVZYBNKQTMP-APWZRJJASA-N 449.552 1.841 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689992614 MXXYREHXGOGYNY-IBGZPJMESA-N 443.573 1.850 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOCC2CCOCC2)CC1 1690124012 CHIIROSSAQOYSI-NRFANRHFSA-N 431.581 1.761 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690463330 ZQJBDHNNNRAVOA-SFHVURJKSA-N 437.552 1.826 30 10 IDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)N(C)C1CC1 1692696405 FNFWAULLJBKRPA-MRXNPFEDSA-N 443.577 1.381 30 10 IDEE CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1695630470 WLUJDBTYWKFGNH-APOCOGJHSA-N 432.525 1.691 30 10 IDEE CN(CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)CC(F)(F)F 1696802307 CVJRICVGELGEFV-OAHLLOKOSA-N 448.515 1.804 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1705617869 KEMAFUXEGALIHI-UHFFFAOYSA-N 427.505 1.607 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SCC)c1 1705628384 FGLWMXAMKRVGOR-QGZVFWFLSA-N 449.602 1.822 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CC(=O)N(C)C)CC1 1705633037 HXUVAONCLUPOJQ-SFHVURJKSA-N 440.548 1.660 30 10 IDEE C#CCSCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1705665287 PTBHLRCTHNUEMX-WMQCIHAUSA-N 436.578 1.681 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705708256 ZZXJGCJCKGAIPY-KSPYYYPUSA-N 447.580 1.967 30 10 IDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1705767596 OJTKEBARDDADMD-UHFFFAOYSA-N 434.504 1.098 30 10 IDEE CCCCNC(=O)[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1709657800 UYYMPYIGJGNNTM-MAUKXSAKSA-N 439.520 1.875 30 10 IDEE CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1711044773 JMFDZWSTNVXAOE-MRCUWXFGSA-N 441.536 1.696 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2scnc2C)CCO1 1711360136 CGHGRFFNJNDPGN-KRWDZBQOSA-N 437.529 1.776 30 10 IDEE COCCN1C[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1712467522 GBNZNWUSZGSCSG-KKSFZXQISA-N 431.541 1.041 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1712593781 TXXISKILFKHFIO-INIZCTEOSA-N 434.447 1.440 30 10 IDEE N#Cc1ccc(OCc2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCOCC(F)F)cc1 1712880726 GGXIANYFQSMAQJ-NVXWUHKLSA-N 446.458 1.725 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1722360332 SXMKGXQFPPBYIU-INIZCTEOSA-N 433.534 1.342 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1722370604 PBUWTHDUNQJEPH-RCCFBDPRSA-N 438.594 1.860 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1722375961 VRIFOMGUJIGPSP-UHFFFAOYSA-N 430.468 1.577 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722439347 YSKGNLPKFSFYRL-UHFFFAOYSA-N 430.578 1.232 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1722609113 SHTVJCLJTCTKEA-ZIAGYGMSSA-N 438.520 1.927 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCc2cccnc21 1722641278 ZKIYDTSNBAXRQX-QZTJIDSGSA-N 446.577 1.748 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1)C1CC1 1722651216 ROMBXDALFMRQIE-IBGZPJMESA-N 447.561 1.714 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)C1 1722719167 RFZWZJCJOPGXIH-RTBURBONSA-N 437.610 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(F)(F)CC1 1722725986 VYMAZOIIPXRCEZ-UHFFFAOYSA-N 440.476 1.762 30 10 IDEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1729158326 ZTCWYISNCSJMPL-FQEVSTJZSA-N 437.548 1.850 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729639616 SASVPNHVZBRFAK-KBDAKURLSA-N 449.515 1.434 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1729778942 POVWCXGQZGDGLI-VGOFRKELSA-N 441.488 1.534 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1729791251 FGUABFNHWKSDRY-RBUKOAKNSA-N 440.504 1.757 30 10 IDEE COc1ccc(OC)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1730184860 ACHZQIMLVARCNE-UONOGXRCSA-N 436.538 1.550 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CC=CCC1 1730870722 QSKAPHCGZQKETL-AZUAARDMSA-N 429.569 1.441 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740579348 NEWFGCMTZLLGDG-FQEVSTJZSA-N 449.559 1.276 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740627319 POTODLUBPJVWJN-AABGKKOBSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1740632481 KCRCNPBOLRQSDJ-XMMPIXPASA-N 448.527 1.947 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H](OC)C(F)(F)F)CC1 1740700958 OSHXWJBZGOGAQH-BBWFWOEESA-N 445.486 1.725 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCN(C(C)C)CC2)CC1 1740826033 WXUONCFFWGUNMX-GOSISDBHSA-N 437.610 1.572 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740858085 IEINODVEIFPJCC-HOTGVXAUSA-N 447.627 1.648 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740990653 YKBKIUMHHVMXDJ-HNNXBMFYSA-N 449.537 1.051 30 10 IDEE CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1743878666 DPBOUWKOXYXRJZ-UZLBHIALSA-N 448.531 1.984 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1748750249 BGZPWRWJYYGOFW-FGZHOGPDSA-N 444.624 1.817 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCS(=O)(=O)c1ccccc1 1748956182 LTZKGYJKNJXOSQ-UHFFFAOYSA-N 427.530 1.844 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749020073 KIKBBXDRVJOPEQ-LSDHHAIUSA-N 427.596 1.138 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749223719 YOEJXPFTCJZNMS-KRWDZBQOSA-N 427.553 1.655 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1749236336 GQHINPVUFYQJDY-DFQSSKMNSA-N 427.505 1.946 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749720279 NOGPSUOPRBFOCE-UHFFFAOYSA-N 439.520 1.026 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1750005613 CFFJOTUVQWFAIA-CVEARBPZSA-N 438.529 1.646 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C1CCCCC1 1760168020 LBJPOJHYCHLTSH-UHFFFAOYSA-N 433.520 1.781 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(OC2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1760180187 AAGAZAZXRZEQPI-SFHVURJKSA-N 429.546 1.978 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1760251382 ZANVQGBXHQALJU-UHFFFAOYSA-N 446.552 1.353 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1760317989 BXCQSCBMRKXYCN-XLIONFOSSA-N 426.521 1.616 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1760382613 UUXHWOKKGFRHCH-OAHLLOKOSA-N 444.561 1.379 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760521938 IBKZKKRBBVRWFV-QGZVFWFLSA-N 433.601 1.206 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760527386 VBGPDKGSXKXAJK-XMSQKQJNSA-N 443.552 1.216 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1761356423 HEHALWDCLZMIBB-LLVKDONJSA-N 446.313 1.985 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1763721588 BFOKBUZTGWCELX-VQTJNVASSA-N 425.472 1.914 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1765589992 VHFISQJMDHLJMG-ROUUACIJSA-N 435.532 1.694 30 10 IDEE CN(C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1766925669 DGOSFGIEGLWBQP-OALUTQOASA-N 444.561 1.019 30 10 IDEE Cn1nncc1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1 1769086965 GDODENKZSIRUTP-IBGZPJMESA-N 443.874 1.480 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1769284270 FURSCZQZCQNTEH-INIZCTEOSA-N 430.534 1.214 30 10 IDEE COc1cccc(C#N)c1OCC(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 1851143052 LOXZOQDIXGSRGM-SFHVURJKSA-N 439.468 1.864 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCC[C@H]1C(=O)N1CCN(c3ccccn3)CC1)OCO2 1852855690 QUHQDENFRFQDMJ-IBGZPJMESA-N 447.495 1.564 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@H](CN3CCN(C(=O)C4CC4)CC3)CC2=O)c1 1856197825 ZINYTZNZHSNAFJ-INIZCTEOSA-N 428.920 1.949 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CC(C)C)C3(CCCCC3)C2=O)CC1=O 1856446240 HDYFQKPTVSQXBA-QGZVFWFLSA-N 439.578 1.380 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)ccc1F 1857487954 FXNGHHLACSCBSN-OAHLLOKOSA-N 429.473 1.997 30 10 IDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1864891878 VGZMOADBPAPSRC-INIZCTEOSA-N 427.417 1.405 30 10 IDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1F 1870107789 YNHAPBANIKCXEK-UHFFFAOYSA-N 444.448 1.970 30 10 IDEE CC#CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)C(=O)OC(C)(C)C 1900622564 UCBHRTOEWNCNDA-JKSUJKDBSA-N 425.526 1.733 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC2(C1)CS(=O)(=NC(=O)OC(C)(C)C)C2 1985897905 KXPZRNXCAWCJMS-UHFFFAOYSA-N 429.358 1.944 30 10 IDEE COC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2060635427 LVOKIVILFHBQOX-UHFFFAOYSA-N 434.302 1.350 30 10 IDEE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nscc1C#CCN 2130086255 DKKNXDLIKJEZMX-CYBMUJFWSA-N 432.527 1.120 30 10 IDEE N#CC1CN(S(=O)(=O)NC2CC3(C2)[C@@H](NC(=O)OCc2ccccc2)C3(F)F)C1 2142144183 FZHQMQSTLMGSSQ-ISXOHVOVSA-N 426.445 1.369 30 10 IDEE CCO[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2146777283 IMNMTTVPMVYGOI-GOSISDBHSA-N 437.518 1.724 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2206624477 UEWREYDWFMONOU-UHFFFAOYSA-N 444.120 1.073 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2243027292 HCOQKEXGCMFCLQ-AWEZNQCLSA-N 431.530 1.210 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255601658 HMLQMGBHHXGXJK-JQWIXIFHSA-N 430.236 1.381 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255619300 ODWHSBTVGMDIFY-CQSZACIVSA-N 438.309 1.644 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256620108 FBVXFADIVURRBN-KGLIPLIRSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)COC1 2256679099 ULEBQPVDADNSKQ-UHFFFAOYSA-N 433.314 1.861 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)c1B1OC(C)(C)C(C)(C)O1 2267002743 FEEKVDBWFKBDMD-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2267098122 WEVBJYAWLJXPOY-PMOUVXMZSA-N 448.329 1.119 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2267106870 GFSSPOTZLMERCF-CQSZACIVSA-N 449.361 1.491 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267272752 CQRCSJBVJZXUEF-AEFFLSMTSA-N 439.369 1.612 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267278311 AXWIKWJIFIMVBV-CVEARBPZSA-N 447.341 1.793 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267518727 CXISEATZQOZABA-FVQBIDKESA-N 446.357 1.847 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)n1 2267545702 MOALDKGYZQUNST-MCIONIFRSA-N 447.345 1.242 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268635931 XITBKPALMIVKKE-QAPCUYQASA-N 448.369 1.919 30 10 IDEE Cc1c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2269067624 TTWJZSSRVAHGMY-INIZCTEOSA-N 443.309 1.428 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCCCOCCO)cc2Cl)OC1(C)C 2282836751 OOMKLGPPHZRDOF-UHFFFAOYSA-N 425.765 1.378 30 10 IDEE C#Cc1ccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)cc1 2286016895 VXYVVXPMSOETJK-IBGZPJMESA-N 430.482 1.555 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2334278110 UTCYVAILOTYURN-KURKYZTESA-N 449.357 1.321 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2337191256 XBXJJCAMWOYFOX-RCDICMHDSA-N 446.357 1.849 30 10 IDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2365210071 XZKBXOVCRLHRTR-SIKLNZKXSA-N 436.574 1.955 30 10 IDEE Cc1cc(C(=O)/C(=C(\S)NCCN2CCOCC2)[n+]2ccc(N(C)C)cc2)c(C)n1C 22694525 IXMJFTOQIFJQIP-UHFFFAOYSA-O 444.625 1.856 30 10 IDEE COC(=O)c1cnn(-c2ccccn2)c1S(=O)(=O)/N=C(\O)Nc1nc(C)cc(C)n1 31502086 KABSXJFKDZOTFH-UHFFFAOYSA-N 431.434 1.176 30 10 IDEE COc1ccc(C(C)=N/N=c2\[nH]c3c(c(=O)n(C)c(=O)n3C)n2C/C=C(\C)Cl)cc1 254447988 BIIXGMLDTPXDBP-CRWDDAJGSA-N 430.896 1.843 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CCC(=O)Nc1sc2c(c1C#N)CCC2 441190907 CQDRGXHGEQXLIN-DTTOXWODSA-N 431.514 1.862 30 10 IDEE CCS(=O)(=O)N1CCC(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446573571 AJTQYMAXGFXCAF-UHFFFAOYSA-N 435.550 1.757 30 10 IDEE COC(=O)c1cc(C(C)(C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 460679549 TUHMWEHGOTVNAM-OAHLLOKOSA-N 425.445 1.668 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 464204825 MFEDXMUDUUUSIZ-OALUTQOASA-N 440.525 1.444 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)o1 478749805 XBJCPHRZCXOOSI-QAPCUYQASA-N 442.537 1.743 30 10 IDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 501184283 XZTMEMPHXRVCOQ-ZWKOTPCHSA-N 433.534 1.119 30 10 IDEE C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508796301 VSXKRZCCTJTJQI-KRWDZBQOSA-N 428.518 1.351 30 10 IDEE C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508938722 MIBADWZMIWHEEF-UHFFFAOYSA-N 435.532 1.593 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1 541214002 ZUTZQYCPCHGTHB-UHFFFAOYSA-N 436.759 1.711 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 554340676 MBLXBFUHPLLQFB-QGZVFWFLSA-N 435.550 1.382 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(F)cc1 603785922 BDSHYSDHFCZJPU-UHFFFAOYSA-N 427.457 1.287 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604001370 MSDCBZXEILKLPV-UHFFFAOYSA-N 429.505 1.585 30 10 IDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 612197073 YCSAJDPKMKLXCA-UHFFFAOYSA-N 431.583 1.422 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(-c2ccccc2C#N)c1=O 614995231 TUNVOODKMCCINX-UHFFFAOYSA-N 437.484 1.890 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)cn1 732563020 PVIAWPZHHIEMJH-UHFFFAOYSA-N 425.558 1.265 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccccc1 732663515 VXMXZCNWZKQUDE-UHFFFAOYSA-N 437.546 1.630 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 734292631 SUGQRCWALLKLAJ-INIZCTEOSA-N 441.465 1.705 30 10 IDEE COC(=O)[C@@H](N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccc(C#N)cc1 740001383 SOKXAXBPHVBGLM-KNQAVFIVSA-N 436.516 1.658 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)c1 740211883 DNAJATHGOVUYST-SFHVURJKSA-N 432.454 1.554 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CCCCC1 760401545 YBWJNRYVFZUDPK-INIZCTEOSA-N 447.513 1.940 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(C)(C)S(C)(=O)=O 765274190 GFMNQKPJZZAZSE-HNNXBMFYSA-N 443.591 1.421 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1Cc1ccon1 772921365 DPQNTBKTZXLFCG-UHFFFAOYSA-N 445.504 1.522 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCc2c(C)nn(C)c2C)cn1 774581351 HJRLVJYOBYKDMX-QGZVFWFLSA-N 431.566 1.954 30 10 IDEE C=C(C)CN(CC)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 777291457 XBNZVFQNWYNKMU-VQIMIIECSA-N 426.535 1.299 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 780899804 XISZNSUJZNHVGY-UHFFFAOYSA-N 426.494 1.994 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)ccc1F 781106487 XNECMPWXXXAMSH-UHFFFAOYSA-N 447.467 1.999 30 10 IDEE Cc1cc(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 781394548 LFKATDUPVHBLHL-KRWDZBQOSA-N 442.497 1.636 30 10 IDEE N#Cc1ccc(COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1F 791281960 OADYNSREWVTMQE-UHFFFAOYSA-N 431.445 1.846 30 10 IDEE CCc1ccc(C#CC(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 816601541 HEDAOUGWUUVNIC-NRFANRHFSA-N 433.556 1.563 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 914678878 CIVJGYVBBGWWKN-HNNXBMFYSA-N 427.482 1.915 30 10 IDEE N#Cc1cn(CC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)c(=O)nc1O 1162733726 CABZTVIPNVFYTM-UHFFFAOYSA-N 435.131 1.456 30 10 IDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1163652645 WACKKQZROPEBCS-SFTDATJTSA-N 430.516 1.884 30 10 IDEE COc1cc(OC)c(C2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c(OC)c1 1167738466 HRRGGAKZDJBNKS-UHFFFAOYSA-N 428.445 1.253 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1214454819 DPHBROFRKAVJAJ-HXUWFJFHSA-N 438.532 1.817 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1nccn1C 1264353784 UYOLQPRTQJDBRD-ROUUACIJSA-N 434.418 1.895 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N[C@@H](C#N)c3cccc(OC)c3OC)CC2=O)cn1 1267506750 OVSCIHIGQUOUNR-PBHICJAKSA-N 427.461 1.281 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1286391286 CHLPBPNJWKJNAW-IEBWSBKVSA-N 441.557 1.520 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286475325 WYHFNNAJWBBCPY-VZCXRCSSSA-N 435.488 1.128 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(CC)CC)CC1 1286493557 HHYHADKBHANXLV-SFHVURJKSA-N 443.596 1.097 30 10 IDEE CN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1289424603 LPXBZYHXLPHXAK-PHDIDXHHSA-N 437.243 1.036 30 10 IDEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1295505389 DBJYDTVACXAQAB-SFHVURJKSA-N 445.593 1.534 30 10 IDEE C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(Br)cc1 1298540011 WIPAUBMCFLVWFQ-SJLPKXTDSA-N 434.334 1.420 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1300402263 XNWYBQOCEFUYEY-GOSISDBHSA-N 426.477 1.747 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1300485427 WDZTXRJPUDHIHR-OAHLLOKOSA-N 440.472 1.872 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300485805 YUJWVZDCRIIGGX-OTWHNJEPSA-N 437.610 1.387 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1300501299 IZUAICMDDUUAPM-QGZVFWFLSA-N 443.533 1.111 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCC(OC)CC2)CC1 1300686182 YCPVEIPTDXYKQS-XPJNUEMQSA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOCC)CCC2)CC1 1300699775 HROFPBLFBBBPIK-IBGZPJMESA-N 449.621 1.532 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 1301223355 STICIYJOFIZMOX-PXNSSMCTSA-N 441.598 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1301593867 WFZZYKJQXGKDAU-GJZGRUSLSA-N 449.602 1.963 30 10 IDEE C#CCN(C(=O)c1cc(S(=O)(=O)NC)ccc1Br)C1CCN(C)CC1 1303996888 PTAZNICARSMKMQ-UHFFFAOYSA-N 428.352 1.527 30 10 IDEE CN(Cc1ccccc1S(N)(=O)=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1312485122 HUYNVDIJMJJSIC-GOSISDBHSA-N 441.513 1.543 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358898398 RLYVVSLURUXCON-CVEARBPZSA-N 435.525 1.736 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359055920 SHTZUJGJULOMJF-DYESRHJHSA-N 429.521 1.833 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC)C(=O)C1 1359089273 FZPVIJJKICCOPD-HOCLYGCPSA-N 442.358 1.969 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1359100980 ITNCKHQUPWCEQO-QRFRQXIXSA-N 426.521 1.196 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1359150695 DPPUQZWFLCNPGZ-QGZVFWFLSA-N 444.001 1.481 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359230858 HTCVMFBWBMNGHH-MRXNPFEDSA-N 444.565 1.756 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359303621 VNWJUZVDVGLTFX-HSZRJFAPSA-N 438.532 1.233 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359303944 GIMVPJXDZHHIPD-FDDCHVKYSA-N 441.532 1.852 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)C1 1359321711 KNOYUEAWQXNNCL-JKSUJKDBSA-N 425.555 1.192 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359331397 XGXBTYXHZJZZOA-HNNXBMFYSA-N 436.538 1.589 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359630965 KJSBUOSCCJOPAN-GOSISDBHSA-N 444.561 1.602 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1436660020 RRRBUAMZZAYNEP-OFQRWUPVSA-N 426.922 1.612 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1440834485 ZBUPUVUFLAGGCY-HXUWFJFHSA-N 442.560 1.754 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1444776779 ITAVJAJQBDRKLP-GOSISDBHSA-N 438.337 1.953 30 10 IDEE CN1CCO[C@H]([C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1447133845 APXOFYYNGANQDU-WMZOPIPTSA-N 431.880 1.052 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1448303841 SWBDVZYWFQWXJZ-HXUWFJFHSA-N 437.497 1.457 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCc2cc(Br)ccc2NC1=O 1455189213 DWZAVTBDMGWCAC-STGLLQLASA-N 447.289 1.735 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1462502901 PQTOHOOQTBWQAQ-INIZCTEOSA-N 428.482 1.474 30 10 IDEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(OCC(F)(F)F)cc1 1468224376 GZYMDODENZRINS-LLVKDONJSA-N 425.367 1.822 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1471334878 CQUSAXMMPYFITA-LJQANCHMSA-N 432.546 1.003 30 10 IDEE CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1497379741 TZRSBQQJIOIENX-GOSISDBHSA-N 438.536 1.419 30 10 IDEE COCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1504896747 UPIXYJBRUJMOBQ-QFIPXVFZSA-N 441.536 1.558 30 10 IDEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)OC(C)(C)C 1505279913 HAGGAYGZCOIPAC-JFIYKMOQSA-N 445.568 1.872 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCOCCCO)cc1 1505318060 ZBDLEFGMHSDLTD-OAQYLSRUSA-N 440.548 1.517 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1507536561 CRPLZCNWNKQNTL-HZPDHXFCSA-N 431.566 1.199 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cn2cccn2)cc1 1507600377 GAGPNWXSDVUAIS-INIZCTEOSA-N 427.534 1.251 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1507632630 OMTKVADLBXLUGT-IRXDYDNUSA-N 449.602 1.725 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1507710273 DZLBPPRCHBNEHH-VQTJNVASSA-N 445.589 1.569 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOCc2ccc(OC)cc2)CC1 1507731800 PINVICFEOFCOBY-HXUWFJFHSA-N 425.533 1.763 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@](=O)CC)CC1 1507734008 FILRORYGZBUIEO-WJOKGBTCSA-N 443.573 1.688 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507791533 MWSUYNABIXYVCV-QYZOEREBSA-N 432.569 1.702 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)C1 1508126137 RDBJRYTWTBCPMB-IAGOWNOFSA-N 449.552 1.893 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1517023095 QUPGAEGWECFIJP-UHFFFAOYSA-N 448.531 1.051 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C1 1517667747 GEUGVYVQTDASPG-GOSISDBHSA-N 425.489 1.748 30 10 IDEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1519343170 CKVZQZSZFMBQKE-DYESRHJHSA-N 446.552 1.571 30 10 IDEE C=CCN(C(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1537469172 LGMKVJCEWXBRJD-OTWHNJEPSA-N 436.530 1.614 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539204984 DHCDEOCYINJPLA-UYAOXDASSA-N 446.573 1.986 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539215582 GBWUFYYITUJVIU-CYBMUJFWSA-N 431.547 1.362 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539219221 BOJUCLCHWUUSCZ-SFHVURJKSA-N 433.578 1.621 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(Cl)cn2)CC1 1539431608 WAVRTASIJVDQRB-FQEVSTJZSA-N 433.944 1.236 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539434846 VQQNDEOYEQQEJH-SFHVURJKSA-N 443.573 1.534 30 10 IDEE CCOc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C(=O)OC)c1F 1539473212 UQMOEJIPDKFAKN-UHFFFAOYSA-N 435.433 1.688 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)NCCC)CC1 1539475297 AYZUQLBOXZWZRX-UHFFFAOYSA-N 440.523 1.966 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1539624180 QSKVKOIODAXRSA-HOJAQTOUSA-N 441.532 1.886 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 1540869272 HTLKFEBTFXTKHX-OALUTQOASA-N 438.532 1.369 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCNC(=O)c3cccnc3)C2)C1 1541060821 AJZKOPNGXXWKLW-JQHMZKTJSA-N 427.505 1.714 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCC1CC1 1545545960 HUSVESDQEZQPOQ-CVEARBPZSA-N 437.552 1.695 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1555669881 LFGIMBBKOXAXFK-MAUKXSAKSA-N 440.504 1.065 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1555800950 ASGGUOKYUVWQTH-UHFFFAOYSA-N 444.561 1.733 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1 1557249225 JBZYONXZLNZKSZ-ZDUSSCGKSA-N 433.452 1.682 30 10 IDEE N#Cc1csc(C(=O)N2CCN(c3ncc(I)cn3)CC2)c1 1557850432 DDLNMAFZEFUMBV-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE Cn1c(=O)c2ccc(NC(=O)N3CCCN(c4ccccc4C#N)CC3)cc2n(C)c1=O 1563284483 HHKGCXXIKMVZDQ-UHFFFAOYSA-N 432.484 1.853 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)C[C@H]2c3ccccc3CN2C(=O)OC(C)(C)C)CC1 1568701042 CLJPOLSAYLWLCN-FQEVSTJZSA-N 440.544 1.762 30 10 IDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1587898572 SFOVBDZKLXUOBN-UYAOXDASSA-N 430.597 1.868 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1588139212 NPBTVMPZEHTKDQ-AWEZNQCLSA-N 448.346 1.459 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@H](O)C1 1588200311 LERFQNPYKZOGIZ-RXVVDRJESA-N 430.516 1.935 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2([S@](C)=O)CC2)CC1 1588865590 YAWWDIVYSMPOHD-PMERELPUSA-N 427.574 1.832 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1588954256 BWOVZAWBRVNRIW-UHFFFAOYSA-N 429.484 1.743 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@H]2C1 1589494595 NBDMHTIPVQDIJX-MHORFTMASA-N 434.541 1.197 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1593735397 FMWGQLSPKKXNEJ-CQSZACIVSA-N 439.442 1.833 30 10 IDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593900816 UCABMDAWEGJPKW-AWEZNQCLSA-N 447.956 1.918 30 10 IDEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1594788047 FFTGRUAIFNXABA-UHFFFAOYSA-N 437.342 1.917 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1594812083 BWOGXQQMWIOYQK-WMZOPIPTSA-N 434.566 1.848 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)C1 1595320091 OLGVNTFBIROUGT-MFCZKXCZSA-N 425.551 1.857 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1595523125 QFGYRCYHAGLVHJ-SFHVURJKSA-N 435.536 1.767 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1595556365 SOKQLLYJBILGHN-LJQANCHMSA-N 431.512 1.940 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1595871197 JITVUEPFOAEWAW-RBUKOAKNSA-N 447.653 1.753 30 10 IDEE C[C@@]1(C#N)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CCO1 1598178455 LWFFATSJQPHNAA-RDTXWAMCSA-N 427.910 1.552 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC[C@@H]3COCCO3)CC2)c1C#N 1612470888 WNRHVWULLMSHRM-QGZVFWFLSA-N 442.568 1.621 30 10 IDEE CN(C)C(=O)CN1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1615448146 MPPNIKRAFNZNOT-UHFFFAOYSA-N 448.365 1.426 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C[C@H]1C 1615759663 AKIXAWACWNXEMH-CVEARBPZSA-N 431.566 1.285 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2cccc(OCC#N)c2)C1=O 1617233188 SAMRMLZQGCMZOO-GOSISDBHSA-N 430.505 1.968 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1619770546 IAUNEXZMEJHDIL-VGOFRKELSA-N 426.521 1.696 30 10 IDEE C#CCNC(=O)c1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)c1I 1623978722 BQORZTGXSMTOQY-UHFFFAOYSA-N 430.246 1.712 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCc1cccc(C#N)c1 1625327167 GKFRKJVFCGEATA-RCCFBDPRSA-N 433.530 1.845 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 1630537846 QLRZMJCWDUQFAU-RDJZCZTQSA-N 449.577 1.498 30 10 IDEE CS(=O)(=O)N1CCc2c(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cccc21 1632555322 JWVRSWZWEFQIKW-UHFFFAOYSA-N 437.474 1.697 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3cncc(C#N)c3)CS(=O)(=O)[C@@H]2C1 1635329224 QFXWNFZOMBVEBG-BRWVUGGUSA-N 434.518 1.240 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)C1=O 1635567952 FZIDTXKKUYIZPI-IBGZPJMESA-N 439.538 1.207 30 10 IDEE C=CC[C@]1(C(=O)NCc2cn(CCOC)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1636518254 RGZJXWUHMJAPKH-OAQYLSRUSA-N 436.509 1.557 30 10 IDEE C[C@@]1(C(=O)NCC#CCO)C[C@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1639534193 OIQYUURXVJBXDW-GKVSMKOHSA-N 434.492 1.873 30 10 IDEE Cc1ccc(C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)cc1S(=O)(=O)NCC#N 1640774964 FBKYUEHIKKMKFW-FQEVSTJZSA-N 426.542 1.796 30 10 IDEE C#CCN(CC(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1)C(=O)OC(C)(C)C 1642178525 JTDGKJRWDMAVBR-GOSISDBHSA-N 436.530 1.860 30 10 IDEE C=CCCONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1647929008 KXFAYZXBTDFLJW-UHFFFAOYSA-N 436.534 1.634 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1666052985 CNQCOAUZUDOUBH-PMACEKPBSA-N 435.546 1.041 30 10 IDEE CC[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)N1CCOCC1 1667735053 AUPQIVLHSVPRKY-ZDUSSCGKSA-N 434.287 1.376 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccn(CCN3CCNC3=O)n2)cc1 1667956494 OLKHTIKDFSGLEC-UHFFFAOYSA-N 447.521 1.359 30 10 IDEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1686737854 BDOQRIRXTZWGAN-UHFFFAOYSA-N 442.545 1.672 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CCC1 1689840346 XWVGBYMBCYFJLE-OAHLLOKOSA-N 440.533 1.346 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1689908047 VAWFABOBRMDHTM-LJQANCHMSA-N 441.580 1.060 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1689999970 OECHBHOOOFXVHF-UHFFFAOYSA-N 439.479 1.332 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1690092863 ZIMKMCQWEOTSGM-UHFFFAOYSA-N 444.927 1.441 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC[C@H](C)C1 1690106061 IZBZPJHNLBCGSY-IBGZPJMESA-N 430.597 1.997 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1692657793 IAYNOXXUKDQILH-HNNXBMFYSA-N 425.518 1.969 30 10 IDEE Cc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693475381 OSLARZQJNWMHKJ-RLBWVDARSA-N 443.552 1.490 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCN(CC)CC1 1694738116 HZNQCPRYSWKSRY-UHFFFAOYSA-N 437.596 1.461 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1695437929 DAUDDVYNOSDBND-LJQANCHMSA-N 437.548 1.501 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1696476245 CXRUDIXAKFDQOB-SFHVURJKSA-N 439.545 1.979 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1705595824 HWJHUKJMECEFBE-OSPHWJPCSA-N 446.511 1.195 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1705637739 KBXSBQUZXYFSHW-QGZVFWFLSA-N 435.498 1.923 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705705057 CHBDJUWZHBGCJZ-UYAOXDASSA-N 437.610 1.977 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705838469 QFXWMAWILPSGST-MRXNPFEDSA-N 437.508 1.038 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705898261 GWVPQZGNYOISHQ-GJZGRUSLSA-N 429.912 1.543 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@@H](O)C2)cc1 1705909597 BDXMNHMDOSNQKC-MDZRGWNJSA-N 449.577 1.709 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1705938783 JEHSERPXSCXDGT-LJQANCHMSA-N 428.555 1.146 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705945772 RMSLCWRKDMTABS-DLBZAZTESA-N 441.623 1.706 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCOCC1 1722357725 OLFPSWFCJZRWEU-HDICACEKSA-N 432.569 1.841 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722366401 IQBFZOXIZJEISF-PMACEKPBSA-N 449.621 1.675 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1722370602 PBUWTHDUNQJEPH-KZNAEPCWSA-N 438.594 1.860 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1722371072 SVMILWOKAWRFFI-MRXNPFEDSA-N 432.502 1.218 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722406613 SRCVLSIRHGRNDD-LJQANCHMSA-N 440.472 1.556 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(N)=O)C1 1722493721 ZHOUGEATKFKKPD-INMHGKMJSA-N 425.493 1.218 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOC2=O)CCOC1 1723675865 JFHGJLNSANSVSM-VQTJNVASSA-N 436.488 1.603 30 10 IDEE COc1cccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)N(C)C)c1 1730211858 HDMDOENMSKATBN-SXLOBPIMSA-N 426.521 1.822 30 10 IDEE CSCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1731117702 HXKUPMAXMPKDRJ-INIZCTEOSA-N 427.534 1.907 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CCOc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1731182504 NJBZYWRGXQOHHU-KKSFZXQISA-N 441.467 1.330 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740620811 RRJJVUYZELULSA-FQEVSTJZSA-N 449.540 1.420 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOc2ccccc2)CC1 1740695862 GESPYUHLTYPTBF-IBGZPJMESA-N 443.573 1.405 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740696749 FEUMBSDMOMSKPI-IBGZPJMESA-N 442.514 1.817 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740883029 GKKPIDQMHUMVHB-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740884428 AOSMSBFSFDLJNX-GHTZIAJQSA-N 441.580 1.855 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CC=CCC2)C1 1740951936 QOJKMKKFANJOKV-UZLBHIALSA-N 436.582 1.517 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740955365 RXCLIUGLXLBQCC-GWTOYCKXSA-N 441.532 1.862 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)C1 1740979547 KHWSPRRLPGZJKW-YOEHRIQHSA-N 429.525 1.363 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2c(ccnc2O)C1 1740989566 QZDSEPWJHZJFFX-UHFFFAOYSA-N 426.502 1.604 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)C1 1741211218 HBORWBSTNPSHAE-GOSISDBHSA-N 439.520 1.860 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748815274 OBTNXTSDWZZFNE-ZCNNSNEGSA-N 449.621 1.878 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1748913306 QYKWVTGUXAQXHQ-XMSQKQJNSA-N 427.553 1.792 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)COCCO2)CC1 1748978989 SMDPEEPRKJPPPZ-IBGZPJMESA-N 449.353 1.596 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)NC(C)C)CC1 1748979071 UUVPTMYJFZHKFF-UHFFFAOYSA-N 432.532 1.615 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1749039547 WKHHEFQWTHHAMN-KRWDZBQOSA-N 439.651 1.857 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1749159092 ONMOFNOUQLJHMJ-QZTJIDSGSA-N 425.599 1.551 30 10 IDEE C=C(C)COCCn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749241989 YKMXDYKEDJKDKH-CALCHBBNSA-N 448.568 1.968 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1)C1CC1 1749507893 CVOUIPHUBJDTDJ-AWEZNQCLSA-N 442.549 1.877 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1749884162 GLDRSIAUUAYJPD-QFIPXVFZSA-N 436.495 1.423 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(C#N)o1 1749970513 UKSJTUKEHNRFCP-MGPUTAFESA-N 449.533 1.530 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1750209257 FHIURJABPPTXJY-UHFFFAOYSA-N 432.531 1.525 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1750379610 GJSPYYKGRYZBNR-JXFKEZNVSA-N 448.524 1.504 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(F)(F)CC1 1750417349 DHYZGAZDGCUYJO-ZFDMEJTGSA-N 436.463 1.934 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1760114786 SVWORPNDUZTTBD-JBACZVJFSA-N 436.560 1.978 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1760190342 VYAPAQBFWDSJDJ-FQEVSTJZSA-N 438.557 1.856 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CCOC)c1 1760233693 OLQHTQIMSAPOMI-UHFFFAOYSA-N 449.563 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2cccnc2)CC1 1760271526 ARMFETAMDCSQAQ-UHFFFAOYSA-N 429.528 1.867 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760279536 FZZGGQKLHWDWQW-GOSISDBHSA-N 426.594 1.318 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760360404 ASBJHAHYUCKVTI-YCRNBWNJSA-N 447.580 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760556925 UJWIBFNITURLDO-SJLPKXTDSA-N 435.550 1.105 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760559841 UKWHWVQXAHASKK-YLJYHZDGSA-N 439.582 1.031 30 10 IDEE CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1763683211 IUHOWRQLBKRTBS-UHFFFAOYSA-N 448.535 1.779 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)CC1 1765509159 YKTMKZMFOINWFG-GHDARCQNSA-N 449.575 1.470 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1766819812 PMCIQNKRFPQDFE-MEUCICPISA-N 425.493 1.805 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1768983917 VUYQVTAIBWDRLF-UDJKBAMHSA-N 425.493 1.425 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)CCO1 1770747279 HNULXWVHCFEENC-GOSISDBHSA-N 433.509 1.562 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCc2ccccc21 1772564687 SCLODPLLCHYXPB-IEBWSBKVSA-N 431.562 1.963 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1772566639 OYATZUUQXYVFGO-QWHCGFSZSA-N 430.431 1.079 30 10 IDEE N#Cc1cccc(OCC2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)n1 1849829103 OYRWDJBBQJZTMR-UHFFFAOYSA-N 432.546 1.775 30 10 IDEE N#Cc1ccc(C2CC2)nc1C(=O)O[C@@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1852787027 RHYVZCPXSSTJEQ-UYAOXDASSA-N 430.464 1.999 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N(C)[C@@H]2CCOC2)cc1 1853033140 ZCSDERAYSPZZDR-NQIIRXRSSA-N 443.525 1.704 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(F)c(F)cc2F)C(=O)C12CCCCC2 1854395246 LJMBHUISVFKRFW-UHFFFAOYSA-N 429.420 1.945 30 10 IDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C1=O)CC2 1855105537 RLODZQKDVYGVGE-IEBWSBKVSA-N 429.542 1.994 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3nccc(Cl)c3F)C2)CC1 1857066208 IKLNVVABYXQSJO-GFCCVEGCSA-N 428.873 1.428 30 10 IDEE CN(C)C(=O)[C@]1(F)CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1857327190 QOOBRVMJXSBJDX-VFNWGFHPSA-N 434.899 1.897 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCO)cc(OC)c1OC 1862567289 OTEZANNHADZYAS-SFHVURJKSA-N 428.441 1.865 30 10 IDEE CCOC(=O)[C@@H]1CCCN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C1 1868783459 RLPXDSUHBWSPAN-QZTJIDSGSA-N 446.573 1.943 30 10 IDEE C=CCN=c1nc(N2C[C@@H](C)O[C@H](C)C2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871563728 GYWKIFBDKAKLCH-ZIAGYGMSSA-N 430.509 1.696 30 10 IDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1873710666 PINDORGOTALGJP-UHFFFAOYSA-N 447.429 1.898 30 10 IDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CC(COc4cccnc4C#N)C3)ccc21 1891839357 WXOJJCWADOUWJV-UHFFFAOYSA-N 426.498 1.952 30 10 IDEE C[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247901055 DLQRNIVHIGNYDC-HNNXBMFYSA-N 435.355 1.291 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903908 KPXHSPXHBQADSE-LSDHHAIUSA-N 446.375 1.776 30 10 IDEE Cc1sc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247921820 WCKONMYLBXHCTQ-CYBMUJFWSA-N 440.371 1.971 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248486382 JYXOTHDGHKEZIM-AWEZNQCLSA-N 440.371 1.939 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2255598664 YAALARBAVGMQAW-QEJZJMRPSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255656113 WFULODJSJPDYTB-ZFWWWQNUSA-N 436.314 1.848 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255700227 ZSUZLDGFPISQTE-HIFRSBDPSA-N 432.330 1.904 30 10 IDEE CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2255875638 BIPQFRYXJGYMJY-QGZVFWFLSA-N 425.342 1.461 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2267112308 DWZVGGRKRSGHRK-CQSZACIVSA-N 449.361 1.491 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1COCCN1Cc1ccccc1 2267181422 SAKHEAQNIIKZJH-SFHVURJKSA-N 440.353 1.350 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267479834 QTEQZLNYIZGIEC-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(=O)O)C1 2267597092 TUKHIUYQEBNWJR-UHFFFAOYSA-N 447.297 1.185 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@H]2C1 2267603335 ARQKNXAZQCILOX-RCDICMHDSA-N 444.341 1.905 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 2267604192 DQDQXNMGMSKOCR-UHFFFAOYSA-N 449.361 1.634 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2267881582 ITXQORHUWPKPAI-AWEZNQCLSA-N 444.341 1.905 30 10 IDEE Cn1nc(C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)cc1B1OC(C)(C)C(C)(C)O1 2269066717 HJKLGZNQKOVQET-MRXNPFEDSA-N 443.309 1.509 30 10 IDEE C=CCO[C@@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270539024 ABRFRNRRXIXKAT-SJORKVTESA-N 426.491 1.061 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 2296610767 SCQJULVQQSIOJD-IBGZPJMESA-N 428.464 1.920 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2298736323 HMKYZXUAMLUTLA-ICFHNOQGSA-N 426.319 1.021 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccn1C 2330794218 BZBUPFUASULPFL-UHFFFAOYSA-N 425.518 1.543 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2337204856 QOCCMWXLXIITQX-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE CC1(C)OB(c2cc(O)c(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2339402970 PJNVPBNKDFPOHM-UHFFFAOYSA-N 446.206 1.581 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 2339450922 ZSLSJOHKZBKOAB-UHFFFAOYSA-N 442.325 1.426 30 10 IDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2367807816 XFNGMACQVVLXBJ-IBGZPJMESA-N 434.558 1.709 30 10 IDEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccccn2)n1N 20805278 PZXPJNIXTMKSSV-ZVBGSRNCSA-N 428.526 1.958 30 10 IDEE N#Cc1c(NC(=O)CCN2CCN(CC(=O)N3CCOCC3)CC2)sc2c1CCCC2 22845751 UYXXWJPQOHFGAM-UHFFFAOYSA-N 445.589 1.304 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 31401305 HAMDEBLOVVHQQE-AWEZNQCLSA-N 434.468 1.852 30 10 IDEE CC(C)c1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443842 NXRLLWHLCCDIML-IAGOWNOFSA-N 434.500 1.819 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 72443861 LDZAYCVMTMGMIQ-KGLIPLIRSA-N 426.864 1.349 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 72443862 LDZAYCVMTMGMIQ-ZIAGYGMSSA-N 426.864 1.349 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCc3ccnc(O)c3C2)cc1 426559424 MISKCFSPAGDUFN-UHFFFAOYSA-N 430.486 1.117 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447781746 VFANFCKGQAGNAN-UHFFFAOYSA-N 433.537 1.533 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 460756605 OTSQOAYCLAHFDE-UHFFFAOYSA-N 429.483 1.578 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 479910280 MAUMYZTYUSGKEU-MRXNPFEDSA-N 440.525 1.646 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 480526092 MZFNZLCHKMOXAD-HNAYVOBHSA-N 426.498 1.315 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 482808943 MCOFDJRTUCUZRD-HIFRSBDPSA-N 433.921 1.669 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 505758876 RYCGDLNGVXKNME-QHCPKHFHSA-N 428.533 1.709 30 10 IDEE COc1cc(OC)c(CNC(=O)CN2CCN(c3ncccc3C#N)CC2)c(OC)c1 506902435 CCUDLUMHNGQZKO-UHFFFAOYSA-N 425.489 1.417 30 10 IDEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C#N)nc3)CC2)c(OC)c1 507458012 SIWGIWFSIUATHN-UHFFFAOYSA-N 430.486 1.554 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2noc(C)n2)C1 508803775 YVVXZSLYWLTLCR-INIZCTEOSA-N 430.490 1.804 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccc(OCC)cc3)no2)CC1 512705644 NNLRBTWPPMVKGC-UHFFFAOYSA-N 427.505 1.514 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(OC)cc1 514492182 GCLDCMAEVYADEZ-UHFFFAOYSA-N 433.533 1.996 30 10 IDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)N1CCCC[C@@H]1C 522611256 KBOCRBZIJHJHMO-IRXDYDNUSA-N 447.561 1.364 30 10 IDEE C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCN(c2ncccc2C#N)CC1 532758269 CUGNQCMOEYPYKI-FQEVSTJZSA-N 448.571 1.612 30 10 IDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 544835595 URUWTNNQQDBBQR-WAIKUNEKSA-N 438.532 1.739 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 551730617 CVHDOMDYSSPPFF-VIFPVBQESA-N 425.396 1.499 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 558981694 IZJHUCFVPNFMIW-QZTJIDSGSA-N 439.582 1.583 30 10 IDEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)ccc1C#N 578408681 IVSRZGWFVFQBRT-UHFFFAOYSA-N 449.577 1.903 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 670228110 BMKFHMSPEMWODX-HNNXBMFYSA-N 439.586 1.191 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(C)=O)C1 670232729 HDXVWZAMBIPEIG-INIZCTEOSA-N 431.566 1.919 30 10 IDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 729331701 GAKHWJAVPJOROB-SFHVURJKSA-N 438.571 1.053 30 10 IDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C#N)c(Cl)c1 730144620 OXQNIGBZJZUXTJ-MRXNPFEDSA-N 437.953 1.857 30 10 IDEE C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465456 FMBVDYLZZOZIGO-YISVQYQQSA-N 433.459 1.879 30 10 IDEE C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2F)C[C@@H](C)O1 732708926 WTLVTXFCMIDAJK-DAYGRLMNSA-N 429.496 1.577 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1OC 744531094 ITCIRPKKLJKPJV-MRXNPFEDSA-N 427.523 1.504 30 10 IDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)s1 752195480 XVXGVGKFZAFBMC-CQSZACIVSA-N 429.567 1.980 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC1CCC(C#N)CC1 755963588 HRASAJPAZNPBKY-LEOMRAHMSA-N 442.559 1.641 30 10 IDEE C[C@H](CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 760986475 AOVAKIFBPNNRDJ-HUUCEWRRSA-N 438.513 1.962 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766792487 GYFQGJXSRQXXOF-PVAXWEITSA-N 435.843 1.410 30 10 IDEE COc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCOCC2)cc1OC 770447980 RNBSBBMDMITARM-LJQANCHMSA-N 446.529 1.708 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 771243420 POJOEUGZMJGZNU-QHCPKHFHSA-N 448.483 1.078 30 10 IDEE C#CCN(C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 774168771 NPNYWFIAUQDXSF-QFIPXVFZSA-N 446.617 1.729 30 10 IDEE CN1C(=C2C(=N)N([C@H]3CCCN(Cc4nccn4C)C3=O)CC2=O)N(C)c2ccccc21 782887974 QYIJFONKGQJAEL-KRWDZBQOSA-N 433.516 1.571 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)n1 788695313 IRPNDYKKRYNKCT-UHFFFAOYSA-N 427.429 1.418 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COCCOC)cc2)c1=O 808132235 ILTSKMKTYMVXIR-UHFFFAOYSA-N 436.533 1.578 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1c(F)cc(C#N)cc1F)CCO2 814399041 QCROOJMPEDWPQG-UHFFFAOYSA-N 429.445 1.847 30 10 IDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C#N)c1=O 917795093 DQEJABUOYLQHQN-UHFFFAOYSA-N 446.536 1.149 30 10 IDEE CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)c1 1084152649 IHOVWELLEUHFOV-UHFFFAOYSA-N 427.494 1.982 30 10 IDEE CN(CCc1cccc(C#N)c1)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1132732353 ABNRJPPQWQXCMY-XMSQKQJNSA-N 447.557 1.841 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 1136632567 CAHSXXOZBVQFBC-UHFFFAOYSA-N 431.899 1.871 30 10 IDEE CCOC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[nH]c1C 1141411682 IDSOAUDJGRFNPE-UHFFFAOYSA-N 430.486 1.518 30 10 IDEE C#CCN1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 1147283446 KBAGPTQUODTPOE-KRWDZBQOSA-N 439.965 1.578 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC1 1152974465 UFOOMCZIPYMZBO-UHFFFAOYSA-N 434.905 1.753 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)OC 1193574682 UBXRLZLZPZQHGW-GFCCVEGCSA-N 440.337 1.639 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1 1199058712 HTJYCIVEGAVRSW-LAUBAEHRSA-N 449.529 1.599 30 10 IDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)N2CCCC2)CC1 1208248217 HKBHOXJGLXEBQU-UHFFFAOYSA-N 427.324 1.843 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C(=O)OC)CCC1 1213711943 TZDUKFWVVYSUHI-UHFFFAOYSA-N 428.551 1.994 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CC1 1219247042 NFKJUFPYOGHIFM-UHFFFAOYSA-N 440.938 1.476 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CCOCC1 1231331329 JOPHYVYVJMAESY-ROUUACIJSA-N 436.553 1.477 30 10 IDEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 1251768594 GTIDAHPAQDBJOA-UHFFFAOYSA-N 428.518 1.283 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1286361111 LJRVWVXOZYYRLS-CQSZACIVSA-N 440.570 1.357 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286382129 RLWOYMTUQCYZRJ-OAHLLOKOSA-N 437.953 1.861 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286394143 HCNVZYBFOWFQIK-MRXNPFEDSA-N 436.509 1.637 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1286412279 GCSZLFCHVWFHDB-FMQUCBEESA-N 435.513 1.233 30 10 IDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1286446844 JRQZGXRAZPZLMN-JOCHJYFZSA-N 426.590 1.931 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1286467197 NNEUKBSBGMQDEO-LAUBAEHRSA-N 432.546 1.174 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286504172 IYRGVYWFJNRHSL-STQMWFEESA-N 444.483 1.100 30 10 IDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286544460 IABCSMZFHVUSHB-AWEZNQCLSA-N 426.340 1.796 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286606416 PDLDJDZJEJBDFJ-UHFFFAOYSA-N 434.566 1.713 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1286645456 CPBRZVIXJGQMAI-RTBURBONSA-N 437.610 1.693 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286780290 DLICGOHCSRMPOR-GOSISDBHSA-N 426.521 1.166 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286831870 FVSUPHVBULKKGI-IBGZPJMESA-N 448.637 1.836 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1286967768 GVNXVKZWOLZWQO-FPCVCCKLSA-N 428.534 1.345 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1286969348 PAUMZIKMRQQAEE-YJBOKZPZSA-N 445.545 1.870 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1288524486 DAQJYOZPKSYBRK-JKSUJKDBSA-N 430.534 1.947 30 10 IDEE Cc1nc(Cc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1290442207 VQZDEQPJEAYPNP-CGRFMXQNSA-N 445.524 1.954 30 10 IDEE CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NCC2(C#N)CCC2)c1 1299492854 HROQUJMPYUNMLZ-UHFFFAOYSA-N 447.298 1.965 30 10 IDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1299540992 DMMSCQWVMLFXCY-SJLPKXTDSA-N 446.577 1.959 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)cc1 1299977685 BSKBIRZBMZQPBR-IBGZPJMESA-N 435.546 1.566 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 1300363755 GASHOIGJMPPUQM-ULQDDVLXSA-N 425.555 1.028 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1300700740 VIJTZPYBXSFWSP-HXUWFJFHSA-N 444.624 1.817 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300754538 CBFYLBXABYQUMY-GOSISDBHSA-N 426.550 1.455 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300769196 BLGNBSPLOOVTOF-ZWKOTPCHSA-N 427.578 1.563 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](C)C1 1300883853 FUSQPISBTQPZLB-XSYGEPLQSA-N 432.569 1.367 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1300972743 PLRSWWKNRHTPDF-WBVHZDCISA-N 439.538 1.652 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301197892 QZMIIOJYBGTIJC-QGZVFWFLSA-N 445.568 1.929 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnnn1C 1301401509 DKLGZEYHPKTASI-UHFFFAOYSA-N 433.476 1.930 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)CCCC(=O)NC 1301491174 FMKMWXYKKYQHPN-UHFFFAOYSA-N 449.353 1.972 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)[C@@H]3CCC[C@@H]3C#N)CC2)cc1 1302317900 FLRGQODJOVPDBG-UYAOXDASSA-N 446.573 1.759 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1304399281 XODDRLSIZDPCOB-RDJZCZTQSA-N 425.493 1.892 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 1312592849 UWJACHVHJBBPOI-JKSUJKDBSA-N 441.351 1.100 30 10 IDEE CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1315155124 GIIGWUXTPXSGQR-MRXNPFEDSA-N 441.511 1.886 30 10 IDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)[C@]4(C#N)CCCOC4)CC3)cccc2c1 1353390793 BRCZSBFEXXFVCH-NRFANRHFSA-N 428.514 1.697 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358898401 RLYVVSLURUXCON-JKSUJKDBSA-N 435.525 1.736 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N1CCOCC1 1358900729 RCUSLQQGZFBGIQ-ZACQAIPSSA-N 446.552 1.366 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCO2)c1 1358901974 BTBIOHFTSVAINR-RTBURBONSA-N 436.516 1.855 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1359028123 HYYSJWBUYAGWHI-SFHVURJKSA-N 447.584 1.332 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)NC(C)C)CC1 1359034191 HCDAUDVRTJIXFU-UHFFFAOYSA-N 446.559 1.801 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(F)(F)F)CC1 1359041769 HXMVCRAXAYUUHR-LJQANCHMSA-N 443.470 1.847 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C(=O)NC)cc1 1359306998 XOTIQYNUNVDAEC-KRWDZBQOSA-N 440.548 1.946 30 10 IDEE CC(C)(C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359516182 SJBJPRFGUZDBRN-VRTBNJGNSA-N 427.553 1.777 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1455696829 BCADMNYCIKCBAL-SFHVURJKSA-N 446.529 1.848 30 10 IDEE COC(=O)[C@H]1c2ccccc2OCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1456673270 KVVKYUOQXHPPQY-HXUWFJFHSA-N 428.466 1.608 30 10 IDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)O1 1460819809 MHMWLUSSHROUMS-VNTMZGSJSA-N 448.589 1.352 30 10 IDEE CCNS(=O)(=O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1464846227 QDEKFSNJNWSUFP-QGZVFWFLSA-N 436.534 1.448 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1470618488 PSSDIYWLSPZMTR-XMMPIXPASA-N 447.495 1.965 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1471119091 STBFYPZOLACTFM-CYBMUJFWSA-N 427.889 1.874 30 10 IDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 1472490509 KNZCXKCGZGCCHK-FQEVSTJZSA-N 439.534 1.489 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507534521 QGFDCTPPEFFYQR-IOMROCGXSA-N 436.560 1.692 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1sccc1C)[C@H]1CCS(=O)(=O)C1 1507632973 QYQBYYGNYHPNPT-JKSUJKDBSA-N 447.586 1.469 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)COC 1507641807 KSCBWFQBUDYLRT-INIZCTEOSA-N 428.562 1.902 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1507711491 VPRALMVOYRXQKW-FQEVSTJZSA-N 431.581 1.903 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507731473 JKARMAOPYUCPJZ-UWJYYQICSA-N 449.477 1.987 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507753481 GGQYLIOZCGVKBG-LSDHHAIUSA-N 434.566 1.699 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC)C1 1507777708 AQXSHZUROSKGSK-CHWSQXEVSA-N 436.376 1.802 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1507831749 DHQDHGZSDMDRPA-HOCLYGCPSA-N 435.554 1.331 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1 1508093738 JMLBOWJCRPECAW-GOSISDBHSA-N 442.589 1.702 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508125147 HQNZRCKPQFLIEP-KHOFPDMRSA-N 449.515 1.572 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1517497789 CLEYNAMPLWSQJG-HNNXBMFYSA-N 431.447 1.160 30 10 IDEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CCOC1 1517947459 GJLMKIJUOQUIMF-HTAPYJJXSA-N 440.504 1.236 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)c1 1528783881 KSGLCIJFDYZHHA-OAHLLOKOSA-N 431.539 1.348 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1538964302 IWNZHAUKCHKNPK-INIZCTEOSA-N 432.550 1.544 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539203486 QTXXQIBURKNSCB-AEFFLSMTSA-N 435.594 1.867 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539222190 UHOBVDZWZYWMMG-HJYXSIQESA-N 439.541 1.569 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1539391709 HQTOYGHLHKLKOC-QGZVFWFLSA-N 437.479 1.714 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2conc2COC)CC1 1539437692 GZRXSQJXOYLLRM-UHFFFAOYSA-N 437.460 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(C)(C)O)CC1 1539474048 IGEUHYHNXHSWKR-UHFFFAOYSA-N 439.516 1.801 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)C2CC2)CC1 1539475336 CBFAQICYYZLPMJ-UHFFFAOYSA-N 438.507 1.576 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539517477 ONVBETJEEILBKL-MAUKXSAKSA-N 448.570 1.780 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540035442 CNFPOLDDVRPDIS-QGZVFWFLSA-N 441.598 1.625 30 10 IDEE CCc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546492578 SHZFJAIYIMUFGG-VXPUYCOJSA-N 437.460 1.838 30 10 IDEE CCCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547257814 SLAHMOYMYWEDJL-UHFFFAOYSA-N 432.488 1.325 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1554150974 DCWDTTWPQJIDSO-GOSISDBHSA-N 430.534 1.673 30 10 IDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1554468312 NIBOVBZWRRYZBC-JOCHJYFZSA-N 439.520 1.169 30 10 IDEE COCC1=CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555320413 HZJGPKZLZYTZQR-LDSGZGKSSA-N 442.520 1.829 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1569560511 JPLBSSUDNWYVBW-MRXNPFEDSA-N 447.469 1.369 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)OC)ccc1F 1587213721 WUFGUNOTFWBXOZ-CZUORRHYSA-N 428.482 1.378 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1588034402 FMSBWPZZUVVBJY-TVKQPGBESA-N 440.541 1.476 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588045640 NREKVSIYLIOXCE-INIZCTEOSA-N 446.577 1.073 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1588064720 NYKNLNBVPQYILL-ICSRJNTNSA-N 433.622 1.978 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1588385859 LAFXIHIDCAYKDX-IBGZPJMESA-N 447.561 1.265 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1588806350 NZKLDBRTJPXOGI-MOPGFXCFSA-N 426.496 1.511 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC[C@@H]2COCCO2)CC1 1588871497 FQRSYPGOXNCMER-LJQANCHMSA-N 441.532 1.426 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(C)CCCO2)CC1 1588968336 INEMADLCMZDALR-YDHSSHFGSA-N 445.564 1.537 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1595659005 QHPKIOUAQJUOTG-VQTJNVASSA-N 441.532 1.736 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(OC)c1 1595789230 PTVFFODEZRQBGC-UHFFFAOYSA-N 428.518 1.981 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1610337865 UPIHJINKHSYGSF-OEAGWNGGSA-N 444.536 1.834 30 10 IDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC(C)CC1 1619049062 DSYBICMDPSDLPN-BWRBCVJASA-N 440.570 1.212 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C3CC3)[C@H](CO)C3CC3)CC2)cc1 1628155335 HYGJJFLOGZHIOE-NHCUHLMSSA-N 431.558 1.872 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 1634569040 JUEPNWBBBHXAIH-SFHVURJKSA-N 429.912 1.631 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](c1ccccc1)c1nc[nH]n1 1640624684 QMBDSWDCDXKSHE-KRWDZBQOSA-N 438.513 1.572 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640916141 LIMCTQHCWHJSHO-WOJBJXKFSA-N 431.452 1.827 30 10 IDEE CCOC(=O)C1(C(F)(F)F)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1641894695 JJVAHCCOPMCAHG-UHFFFAOYSA-N 447.435 1.571 30 10 IDEE C#CC[C@@H](NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1)C(=O)OC 1642410393 CHCWWNLXCQQHDR-IUODEOHRSA-N 437.290 1.598 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)CCCc2ccccc2)c1 1643236058 WPEBJJRSFXIGSU-UHFFFAOYSA-N 431.489 1.992 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)s1 1644919822 APLIILINELMHBE-MMMWYMCRSA-N 428.576 1.844 30 10 IDEE C#CC1(O)CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1646157294 LSNKKUAXHXRIDX-QFIPXVFZSA-N 431.492 1.487 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1653760392 WEGSUPSWODHUTI-QGZVFWFLSA-N 439.472 1.512 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cn1 1655956949 XENINCYKFOYODU-UHFFFAOYSA-N 425.264 1.088 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)C1 1679944182 ILKFDJIMXZMRID-MCIONIFRSA-N 425.486 1.596 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689991147 WWDGHJJVKCNYCB-SFHVURJKSA-N 435.594 1.725 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690000766 BFRWQASQQVLMDP-DENIHFKCSA-N 426.542 1.442 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1690058791 BEPURTSASMGZQH-CQSZACIVSA-N 433.534 1.903 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690185110 USTPEZXEZJHCKL-INIZCTEOSA-N 429.546 1.899 30 10 IDEE CN(CCC1CCOCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696791667 AITNYIRVNVPNRJ-DPPKGPFUSA-N 444.536 1.561 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1697030654 FNUKRVHPIIDEQJ-SFHVURJKSA-N 434.504 1.967 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)COCCO1 1698058858 OIBXFGDDYPCICI-HXUWFJFHSA-N 429.481 1.097 30 10 IDEE COCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698183673 BWAKTRPWWJYXLB-IBGZPJMESA-N 440.504 1.316 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCS(=O)(=O)C1 1705474117 CMQZMHQZYSCJPA-GOEBONIOSA-N 449.964 1.754 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1C 1705623800 FFEAIGXNVJVKJS-IEBWSBKVSA-N 436.520 1.679 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOC1=O 1705628477 IBPPNOBHLFEXMK-IBGZPJMESA-N 441.488 1.719 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ncccc2Cl)CC1 1705632101 HYFOBRROANABPH-UHFFFAOYSA-N 431.928 1.299 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1705649452 YEHOGFVLLWAOMN-ICSRJNTNSA-N 437.548 1.626 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1705655149 FOAFHGIZUBYGBM-INIZCTEOSA-N 449.602 1.787 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1705737740 ATFOKAWGMJHMPY-SFHVURJKSA-N 439.520 1.061 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 1705754592 BTEOBGZRJGSSLS-ZIAGYGMSSA-N 436.003 1.695 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705899972 LWNTWNLSSMZPIZ-ZBFHGGJFSA-N 429.525 1.925 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@@H](C3CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908593 DYFXOWXPDMCQJX-WMZHIEFXSA-N 447.580 1.874 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705908817 IAQMHEIDYLHMNB-CQSZACIVSA-N 432.554 1.172 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705935058 FQMOPGVESBHPHX-CALCHBBNSA-N 440.472 1.309 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@H]1C 1705935910 GLTAGONRRYXYLG-RBSFLKMASA-N 448.636 1.111 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705937635 ZRSKRUYYKHAHIM-SFHVURJKSA-N 434.566 1.626 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1706013548 BWROLHFFZHGDAV-UHFFFAOYSA-N 444.561 1.745 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706587734 OTSPQYIBHPESOV-RJCBAWPRSA-N 441.536 1.735 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCCO1 1708233734 ABXCYYLNNSKBLL-MRXNPFEDSA-N 445.545 1.921 30 10 IDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)OC 1708778601 SYJQKVLTSFDYIH-QGZVFWFLSA-N 437.504 1.762 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1711416665 ZXLJRRUNASPSRL-UHFFFAOYSA-N 439.501 1.078 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCSC1 1712454079 HODPLSDPPYWYFC-CVEARBPZSA-N 427.596 1.690 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CCOCCCO)CCO2)c1 1712879389 YRUSKWXBWGJHGA-PMACEKPBSA-N 427.505 1.631 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1722283798 JPXQSQDKCKUBMO-QKKBWIMNSA-N 428.924 1.798 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1722287662 PEPAHJLOIANKTF-HNNXBMFYSA-N 437.566 1.921 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1722319260 LQUAODILJABKLW-QHCPKHFHSA-N 436.564 1.957 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccc(C)cc1 1722352819 PZYFOTHNZZPLHQ-GOSISDBHSA-N 449.602 1.781 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1722372172 QQODYELQVVVYIN-GOSISDBHSA-N 431.566 1.319 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1722375277 MEZRSNCNQUEBCH-GOSISDBHSA-N 441.557 1.142 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 1722444906 IIHQVEDMNFCAJI-QHCPKHFHSA-N 441.507 1.856 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1722676443 ALEPOXYYCICGCO-KRWDZBQOSA-N 430.534 1.790 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(N)=O)C1 1722730827 DQOUJBMSXDVZRS-QHCPKHFHSA-N 438.532 1.829 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726493695 CAVAAQYPYYQURP-FTFAEBDGSA-N 441.536 1.665 30 10 IDEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730926478 GOGONFKEBIBPCO-GOSISDBHSA-N 427.509 1.038 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1740590865 KJHRGKZMRBQKTB-INIZCTEOSA-N 427.571 1.276 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCC(N)=O)CC1 1740750710 TXQQBLKVRSNFEK-ICSRJNTNSA-N 444.580 1.977 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740762174 RVSDZALNNNTPAX-RYRKJORJSA-N 439.582 1.281 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNS(C)(=O)=O)CC1 1740834477 YROPNYXNUNLSOR-UHFFFAOYSA-N 433.538 1.267 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740862057 IUWGHPNMEBPPPJ-QGZVFWFLSA-N 428.541 1.989 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1747418621 BOZAZRXIFAJZNW-CQSZACIVSA-N 439.563 1.121 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748817979 UGLKPODAFMCAKS-LJQANCHMSA-N 437.610 1.216 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1748847735 WPBJPPSDHJTYFF-GFCCVEGCSA-N 443.476 1.777 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749044520 RHWLJSLSKDRMHA-ZIAGYGMSSA-N 431.484 1.923 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(=O)(=O)CC 1749126283 ANEMUNQTCAFSLU-INMHGKMJSA-N 425.555 1.081 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749213950 SMTAMXSSKBVZDQ-BBWFWOEESA-N 427.571 1.486 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1749448226 VVXOEVRVZDGADL-UHFFFAOYSA-N 433.534 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1749721702 RIBPVUNZVJPRQO-FQEVSTJZSA-N 443.533 1.656 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CC(C)C)C1 1749734416 IWBWHVUYAGLHOQ-SJORKVTESA-N 444.623 1.653 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCCOC(F)F)cc1 1750384905 USEGNPMYRUWCSW-HNNXBMFYSA-N 448.430 1.999 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1750991759 WVZPDNCOARFDFI-CYBMUJFWSA-N 436.314 1.299 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2nsnc2c1 1751208177 DHADOTFRYGXDTQ-GFCCVEGCSA-N 446.562 1.681 30 10 IDEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)C[C@H](C)O1 1752394656 ATDZGICJCKZIBC-ROUUACIJSA-N 429.569 1.753 30 10 IDEE C#CCN1CCN(c2nnc(C)n2C[C@@H]2C[C@@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1760256475 HGOKUXKNOWYAHH-QYZOEREBSA-N 430.553 1.366 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(O)(CC)CC)CC1 1760260610 ZGPSBTRAXSTRDY-UHFFFAOYSA-N 435.532 1.900 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760306284 ATZXAYQUUZTZPK-VXGBXAGGSA-N 438.286 1.407 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1760525850 UPMGOESAPSWDSE-INIZCTEOSA-N 435.532 1.615 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2ccccc2)C1 1760530086 KOQPVEMJMIDFSV-ZVDOUQERSA-N 441.532 1.882 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760552692 YAKQDFQPFMDPEY-IAGOWNOFSA-N 448.501 1.669 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1766819531 LZRCDYFMRVRYHH-XOMICKMZSA-N 437.504 1.872 30 10 IDEE CO[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769062573 RTAHIIBQNZZWEG-UAFUQJIBSA-N 437.504 1.406 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1770681789 LWJAQEBDDCHXMB-YOEHRIQHSA-N 437.504 1.809 30 10 IDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCCN2CCOCC2)CCO1 1771539034 LRIMPRKMKYAGLR-FQEVSTJZSA-N 444.511 1.837 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)nc1 1852788587 LFHYSCUROKNYRS-UHFFFAOYSA-N 444.495 1.542 30 10 IDEE C[C@H]1CC(=O)N(C(=O)CN2CCC(F)(F)CC2)c2ccccc2N1S(=O)(=O)CC#N 1857459588 RYIYMEQYVYBBDB-AWEZNQCLSA-N 440.472 1.729 30 10 IDEE N#Cc1cccc(NC(=O)CNC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)c1 1868144341 AHHPMDNPZHDIJK-UHFFFAOYSA-N 431.496 1.985 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CSc1nnnn1C 1870207418 VTRGSPDZFZJZDT-UHFFFAOYSA-N 442.501 1.876 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)c(O)c1 1874433117 FEEBZCPNHOXJCZ-GZIVZEMBSA-N 444.473 1.209 30 10 IDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(F)c3)C2)c1 1890096143 LDPOGAREPLJJLF-HKUYNNGSSA-N 444.488 1.925 30 10 IDEE CC[C@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2108228345 OWGOXIARJUQQFP-DJJJIMSYSA-N 425.482 1.903 30 10 IDEE CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](CNC(=O)C(F)(F)F)C1 2224077855 BDVXQVGIKVWBSS-CQSZACIVSA-N 428.264 1.180 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255622705 DBTPZONRNKUJPV-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CC[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255626797 KQQCZARBSDJFFN-ASSNKEHSSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644387 IUCCFPUFXHOUEV-DZGCQCFKSA-N 432.330 1.809 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCN1C(=O)OC(C)(C)C 2255654913 FTZLHOKOARUCSY-CQSZACIVSA-N 434.346 1.801 30 10 IDEE Cc1nc(NC(=O)C2(NC(=O)OC(C)(C)C)COC2)ncc1B1OC(C)(C)C(C)(C)O1 2256674676 BSVCWGJMGRBYGF-UHFFFAOYSA-N 434.302 1.316 30 10 IDEE C[C@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 2260821436 LNHDNQFJGVSJFJ-BOLDSZDNSA-N 437.346 1.758 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1 2267113121 PLMWLCRWIZKALE-OKILXGFUSA-N 447.345 1.053 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267516990 MBTISXRQFAZSMT-UHFFFAOYSA-N 448.329 1.171 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267597084 SYDNCWJXYWSILF-INIZCTEOSA-N 447.341 1.747 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C2 2272649881 LVZXCCQUUKELJU-JLCFBVMHSA-N 444.341 1.763 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CN1C(=O)OC(C)(C)C 2315535870 YQYKSTQXBPCVTC-UONOGXRCSA-N 434.346 1.847 30 10 IDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(N(C)C)cc1 2330718414 YHXYEQDIDSOXDJ-UHFFFAOYSA-N 431.566 1.823 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC(C)C)c(OC)c1 2330772728 ITQMRZDLIRAHGE-UHFFFAOYSA-N 435.506 1.857 30 10 IDEE COc1cc([N+](=O)[O-])cc(C=NN(C)C2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1O 263626528 YLTITADVZXTJAB-UHFFFAOYSA-N 435.374 1.632 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409816654 DWPHDDJWVRBDAC-HZMBPMFUSA-N 425.454 1.573 30 10 IDEE N#CC1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN(Cc2ccccc2)CC1 479311267 REKAGJUDANSOLN-UHFFFAOYSA-N 449.467 1.995 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CSCN3C(=O)c3ccccc3)C2=O)cc1 489245948 CLZQBEGPEVPEHH-PMACEKPBSA-N 434.521 1.991 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)C1=O 504493810 BGQXCACBLCCJKF-IVMMDQJWSA-N 427.457 1.358 30 10 IDEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510612496 FOEZHWOTUUXFKB-KRWDZBQOSA-N 431.884 1.045 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1 512710535 UWSLEGOYACPUEI-SFHVURJKSA-N 448.951 1.400 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 538390295 PSVYWXUAIQFERH-MOPGFXCFSA-N 442.589 1.881 30 10 IDEE CCC(=O)NCc1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1OC 546175541 HFQNQMIIGQPNGP-UHFFFAOYSA-N 443.529 1.499 30 10 IDEE N#Cc1ccc(N2CCN(CC#CCN3CCN(c4ccc(C#N)cn4)CC3)CC2)nc1 551695880 NBNVCKLTYSASCC-UHFFFAOYSA-N 426.528 1.168 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1C[C@@H]1CCCO1 568585418 AYHWWFDIUZSMAQ-LBPRGKRZSA-N 446.891 1.002 30 10 IDEE C[C@@H](O)Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(O)nc(=O)n2C 606630063 JGJNMLZZGHFALN-NCYOTZSRSA-N 437.254 1.131 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCc3cc(OC)cc(OC)c3)CC2)C1=O 664852362 LOHZWXYANIMZGV-UHFFFAOYSA-N 443.500 1.852 30 10 IDEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)c1 730138374 LRLNNJFNTWLPGT-GOSISDBHSA-N 445.589 1.527 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CCN1C1CC1 732707910 INNMUJBJTKHRGL-FQEVSTJZSA-N 447.495 1.841 30 10 IDEE COc1ccc(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1C#N 746768685 RANXJKWFOOUERQ-UHFFFAOYSA-N 438.513 1.664 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC[C@H](O)C(=O)O 757271216 HLSAKVRDPUEDDM-RTWAWAEBSA-N 436.464 1.869 30 10 IDEE Cc1c(CN2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)cnn1C 758061485 FPCKEAACUIHECC-GOSISDBHSA-N 428.562 1.928 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 774014900 GPGYOEIKZSOGKT-QGZVFWFLSA-N 439.559 1.515 30 10 IDEE C#CCN(C(=O)Nc1cc(OC)ccc1I)[C@H]1CCS(=O)(=O)C1 774037737 FVYDECSUGTWJCM-NSHDSACASA-N 448.282 1.954 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1 788814328 NESIYXOYRWDLIU-UHFFFAOYSA-N 432.546 1.882 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(F)cc1 794911051 QGDJIWOBYHTBQJ-WOJBJXKFSA-N 445.516 1.846 30 10 IDEE C#CCN(C(=O)NCc1cc(Cl)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 798490946 FLYWCYYLIWQPRG-KRWDZBQOSA-N 425.938 1.509 30 10 IDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO2)CCN1C1CC1 802692714 KMBBIARHSFJQLY-IRXDYDNUSA-N 441.561 1.625 30 10 IDEE COc1cc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)ccc1C#N 812250720 QDIQFIWMQVUZIC-OEMHODTASA-N 432.480 1.986 30 10 IDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812432629 DFLJANBRNBUIGH-IEBWSBKVSA-N 432.546 1.852 30 10 IDEE Nc1ccc(I)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1144428721 ALXLIDJHOJXVQY-FYWRMAATSA-N 426.214 1.130 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CN=S(C)(C)=O)CC1 1178424950 IFMHEGBQCCAFKL-AWEZNQCLSA-N 426.564 1.191 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCOC 1286278863 HQBYGYLEFSGWFS-IIBYNOLFSA-N 449.577 1.441 30 10 IDEE C#CCSCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1286513199 RKZVIKMIHUGQFD-NQIIRXRSSA-N 446.577 1.399 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1286548238 SBWWQPPIRXGPSU-HKUYNNGSSA-N 444.580 1.893 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccco2)C1 1286800403 KOJHVAUVNZTGDQ-CLCXKQKWSA-N 439.538 1.170 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)C1 1286810659 UNFPKQCMELLNRN-ZIAGYGMSSA-N 442.492 1.601 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC2CC2)C1 1286819619 PZURNWADRWSQKK-IAGOWNOFSA-N 437.566 1.225 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1288078416 MRDZZUOTAWRUHX-HJUNTIBCSA-N 447.565 1.273 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCCCS(C)(=O)=O)C1 1288975506 OCDNTAKKOPHNEJ-HXUWFJFHSA-N 436.582 1.859 30 10 IDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1295811763 YYTKSMYGCUVRTK-XLIONFOSSA-N 438.598 1.974 30 10 IDEE CC[S@](=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297812751 FXXWJHZVABUOKG-ADKRDUOOSA-N 433.607 1.579 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1298283312 CDOXCUTZZKVXAK-MOPGFXCFSA-N 444.561 1.572 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(OCCOC)CCOCC1 1300266796 BIUVSJFRHZBOTL-QGZVFWFLSA-N 442.520 1.596 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2ccnc2C)nc1 1300432077 BFQHEIPQXYSPTE-UHFFFAOYSA-N 427.472 1.932 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1300487045 DXUDWWQBKIWJLE-NSHGMRRFSA-N 441.557 1.948 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300492834 OWWCYNXKVYCJAN-AZUAARDMSA-N 448.637 1.056 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1300506077 MCTVPKGTOHNAKB-PKOBYXMFSA-N 430.530 1.705 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)C 1300536375 WLYCXLMMIMSBPY-UHFFFAOYSA-N 434.548 1.440 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1C 1300578905 KDGVUEWHYBRUAG-UHFFFAOYSA-N 441.499 1.315 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1300672041 UFPOLSCIXVWRHR-MSOLQXFVSA-N 430.530 1.270 30 10 IDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300751707 OOQIHPINPFPCNV-UHFFFAOYSA-N 440.573 1.485 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3nccs3)C2)nnc1[C@@]1(OCC)CCOC1 1301521066 ZCRVFFOWKFEYNC-FOIQADDNSA-N 448.549 1.267 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1301613327 WAKUFRIQTOPRCA-HUUCEWRRSA-N 428.584 1.269 30 10 IDEE COCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1301846861 BGFGPQRSEBJNRN-UHFFFAOYSA-N 448.531 1.913 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(CS(C)(=O)=O)CC1 1302643427 BFQGRAKMAOYCET-UHFFFAOYSA-N 430.534 1.761 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3cccc(Br)c23)CC1 1302923942 GBKKJRPIWWFSCP-UHFFFAOYSA-N 436.331 1.828 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1OCC[C@H]1C 1303812522 ZLBKPDNIFOZDGV-IIDMSEBBSA-N 432.550 1.821 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)[C@@H](C)O)cc1 1304490689 RJLRQVADVBLELT-SJKOYZFVSA-N 434.543 1.123 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@]2(CCOC2)O1 1305153754 FQIPZAXCHNNFRV-HTAPYJJXSA-N 427.505 1.600 30 10 IDEE COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1309141036 BQQVAUVJDXYNLZ-UHFFFAOYSA-N 426.458 1.127 30 10 IDEE COC(=O)C1CC2(C1)CN(C(=O)NCC1(C#N)CCOCC1)C[C@@H]2C(=O)OC(C)(C)C 1313405520 NTZGDCZNJNORBS-JXORXQGFSA-N 435.521 1.859 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1314852662 JOZQRYZDMPKJTH-LJQANCHMSA-N 435.575 1.556 30 10 IDEE N#CCOc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1322809153 VLICSDSXEMOVJY-BHIYHBOVSA-N 433.530 1.315 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 1354429296 QAXFMMHEHTYBAH-CQSZACIVSA-N 446.261 1.601 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)C(C)(C)C 1358896679 JRYLKBNRRNUGEM-CQSZACIVSA-N 437.591 1.941 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1358916061 YUODQDCVDJBKBE-UHFFFAOYSA-N 432.532 1.797 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1359018205 HWQARUHUALHMEG-GCJKJVERSA-N 431.537 1.328 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)CCC)CC1 1359041791 IRYFPKVFWDAYDF-GOTSBHOMSA-N 447.580 1.447 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359208615 PTBRIMKPGNNJQT-QZTJIDSGSA-N 439.630 1.071 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359302700 QSJJYJGNWBKSCT-SFHVURJKSA-N 439.564 1.555 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359336361 NDFKNTOLWRXBAA-IAGOWNOFSA-N 425.555 1.035 30 10 IDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359345037 QQVLDMOBKZSRAR-UHFFFAOYSA-N 436.607 1.701 30 10 IDEE CCOC(=O)[C@@H](COC)N(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1435926108 FIJDHTQCHNRLAS-ZWKOTPCHSA-N 442.472 1.332 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c(=O)c1C#N 1457781748 VWDGLYINTNARBF-HIFRSBDPSA-N 439.310 1.049 30 10 IDEE COc1ccc(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)N(C)C 1460855180 DSEZYKXRFZHEET-UHFFFAOYSA-N 437.518 1.222 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(C)c(C#N)c3)cc2)CC1 1462684752 ARPCGPKJHPDKSA-UHFFFAOYSA-N 440.525 1.650 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1469547506 XRHOPVDCFZYMDM-FNHZYXHNSA-N 448.570 1.385 30 10 IDEE COC(=O)C[C@H](CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1470119882 OICFSEUIDIGFBP-WBVHZDCISA-N 435.546 1.845 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1471983736 GWKMGCVSNAUUJT-GOEBONIOSA-N 431.493 1.862 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1472439561 ZYSVGOMSLKCSDH-HUUCEWRRSA-N 428.938 1.860 30 10 IDEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)C1 1500930154 HANJSFAKZVFLRV-GOSISDBHSA-N 428.562 1.783 30 10 IDEE CCn1cccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1=O 1502236680 CINFNPSMPIKLFL-PGRDOPGGSA-N 442.520 1.277 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1503202073 KMUCJRCZUPMBHQ-UHFFFAOYSA-N 446.515 1.674 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCCn1cc(CO)nn1 1503476000 BTCZBAFKFDOYPV-UHFFFAOYSA-N 443.515 1.946 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507525960 KACXHIUVFSXNJS-HOTGVXAUSA-N 445.545 1.456 30 10 IDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 1507556736 DKPDPPAHDWAAGH-SFHVURJKSA-N 442.545 1.728 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507665629 ZUWDULVOMOYNNS-SFHVURJKSA-N 441.557 1.698 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC=CO2)n1 1507717680 XWIKTJRRZJOMRB-MOPGFXCFSA-N 439.520 1.405 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1507752116 SJSHVALJEJGKLD-UHFFFAOYSA-N 439.563 1.243 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1508040101 SQXOHRWSHJHYTF-PGRDOPGGSA-N 446.573 1.653 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1508093107 APFUWNSNKULAHV-WJOKGBTCSA-N 444.561 1.077 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1508138234 YTRWQKALZLILEW-LSDHHAIUSA-N 441.579 1.199 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1F 1508142482 CXFOGNXVPLPGFJ-UHFFFAOYSA-N 435.525 1.777 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1509302264 HSWHRIONAMHUAH-QGZVFWFLSA-N 439.582 1.835 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCO 1513369584 XEIGIGWIYJYEEZ-UHFFFAOYSA-N 441.536 1.894 30 10 IDEE Cc1cc(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)ncc1C#N 1525262692 FXFHIXFOAFUFKL-UHFFFAOYSA-N 429.458 1.536 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1525837691 DBJVKMSPXSABCC-QZTJIDSGSA-N 429.473 1.718 30 10 IDEE CC(C)(C)N1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 1529802540 AJYJSOVSCHATIV-GOSISDBHSA-N 432.546 1.475 30 10 IDEE C=CCN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1530618260 APWGBLFDVNMVGA-AWEZNQCLSA-N 436.471 1.151 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)c1 1535904312 CNZBTVDCNQQGPU-MRXNPFEDSA-N 430.555 1.802 30 10 IDEE Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1C#N 1537721678 JBUVBHPPIARRDU-UHFFFAOYSA-N 442.541 1.884 30 10 IDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C#N)nnn2Cc2ccccc2)C1=O 1538609956 FJNAAPOPOPYENX-QFIPXVFZSA-N 429.440 1.604 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CCOCC1 1539178902 MADUQXCGAATUHH-SFHVURJKSA-N 428.558 1.998 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539213027 ZUQWYHVXVCZHEW-GOSISDBHSA-N 428.562 1.453 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539215892 LEIMONGOXRWKTI-INIZCTEOSA-N 432.550 1.062 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2Cc2ccco2)n1 1539423316 WXHJKVWIIMSUQP-UHFFFAOYSA-N 437.504 1.638 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539829316 WUPGMUJNTNZXIF-MSOLQXFVSA-N 440.614 1.402 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540866456 NWHLWGMFYLHOAO-CVEARBPZSA-N 432.912 1.680 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1540875191 DFHLITXQVHBHFS-OAHLLOKOSA-N 430.484 1.355 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1540898374 ITCIBDBVDNGGHX-CQSZACIVSA-N 437.953 1.866 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CCO1 1554451334 FDQCUEOHMAOHCL-WMZOPIPTSA-N 442.545 1.433 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C 1555584215 CSPAHDHAYMOKGA-SBUREZEXSA-N 437.548 1.452 30 10 IDEE 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C=C(CN(C)C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 1565711366 BUSCICHUJUBHGX-UHFFFAOYSA-N 437.610 1.525 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c1 1570666655 JCMWBSCCCOTJMC-CQSZACIVSA-N 431.436 1.271 30 10 IDEE N#C[C@@]12CN(C(=O)COc3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1585132001 HTJLEKJXTFKJLH-NHYWBVRUSA-N 446.266 1.067 30 10 IDEE C#CCCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1587893903 KCOCVNGBERVNIC-HTAPYJJXSA-N 444.536 1.110 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Sc1ccccc1 1587988700 AXZFKRSQSFAMDD-FUHWJXTLSA-N 449.602 1.861 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588029990 NOSCGRGHLDBFPQ-SFHVURJKSA-N 435.594 1.867 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1593740774 FFOBMUKKVVIJLT-LJQANCHMSA-N 432.569 1.371 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CC 1594961865 GIVDFCPSBGZLQQ-IRXDYDNUSA-N 426.587 1.108 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N(C)C2CCCCC2)C1 1595744316 LHMBIRAXLWZBQT-LJQANCHMSA-N 444.580 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595772815 HIQLOPHUIBOVBY-OXJNMPFZSA-N 436.534 1.832 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 1595896397 ZLGYXGQBUOIORX-UHFFFAOYSA-N 434.610 1.621 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCCC2(C)C)CCO1 1596642673 ZGTNOXMNHBBRAE-VQTJNVASSA-N 438.532 1.973 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccsc3)CC2)s1 1596916522 ZQDXJPWAKSEBHD-UHFFFAOYSA-N 439.584 1.801 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615880686 MWGHIOLFTMHLQU-IPJJNNNSSA-N 433.576 1.888 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cnnn1 1618378503 MEIZNPIKSYWTSB-MRXNPFEDSA-N 449.292 1.565 30 10 IDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1618822599 PMPJPDBTGZIYQL-FPOVZHCZSA-N 437.606 1.900 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCC[C@H]1C 1620018247 BRHDVOXLAAEFEL-GGPKGHCWSA-N 431.585 1.663 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2Cc2cccc(Br)n2)c1 1620348737 FAGMYMYIDJMRBO-UHFFFAOYSA-N 438.289 1.959 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(O[C@@H]2CC(=O)N2)c1 1626368261 GCIDHNGLALRRGS-LJQANCHMSA-N 428.470 1.369 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4ccnc4)cc3)CC2)cc1 1629484634 BQYFRYJHELURFB-UHFFFAOYSA-N 435.509 1.820 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)s1 1632434498 NPKZVNNBAUQGCF-HOTGVXAUSA-N 426.560 1.742 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)C1 1638203599 SEHAJDNFAYYVMA-JQZVDIJISA-N 443.422 1.673 30 10 IDEE N#CC1(CNC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCC1 1641647595 ARWXQNFOQOQBEP-UHFFFAOYSA-N 430.486 1.385 30 10 IDEE C#CCN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789669 KMMATLCCXOTWGJ-RTBURBONSA-N 442.516 1.819 30 10 IDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1645168431 CAPBMRNEVCILMQ-RCCFBDPRSA-N 449.529 1.321 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1645402422 ZTHFBCMOLCVVHR-UHFFFAOYSA-N 434.518 1.352 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)ccc1F 1645689076 SCZZGRWSFIWQHB-LIRRHRJNSA-N 425.482 1.641 30 10 IDEE COC(=O)[C@]1(N2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)CCOC1 1645840470 BSHYTRWDEROEGX-QHCPKHFHSA-N 439.468 1.820 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)COC1 1646043831 CGWBCNRIMCEUBS-CQSZACIVSA-N 426.514 1.983 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 1661491072 YGWFTIIAWVTJHD-UHFFFAOYSA-N 440.930 1.984 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3COc4cccc(Br)c4C3)C2)c(=O)nc1O 1684911026 HGXVBMODLQSNDO-NSHDSACASA-N 446.261 1.153 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1689978088 LSQYBWSOXYVQRQ-INIZCTEOSA-N 444.561 1.988 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1ncc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689989210 BYYPHNYRVLRYLC-USXIJHARSA-N 449.602 1.977 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1F 1690093470 AEAOJOKJZQYSLY-ZDUSSCGKSA-N 443.932 1.815 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690161838 RWARQUHFLYSHNY-UHFFFAOYSA-N 449.540 1.704 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690675969 LJHWGRVSIOMCKH-KRWDZBQOSA-N 426.521 1.443 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1690719905 VJGXXZRENSEWQS-HNNXBMFYSA-N 437.953 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690729554 QFUXQEFCTLOKIN-HXUWFJFHSA-N 438.525 1.652 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1691003991 NKXSFJYVUPFGLU-DOTOQJQBSA-N 432.550 1.658 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1693550182 BJVDHJQKMGQBSI-XLIONFOSSA-N 437.548 1.330 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](OC)C1CC1 1698150302 FYMPYEPIYGOTFQ-IFXJQAMLSA-N 442.520 1.962 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705567327 WQVUFCXAFOXMHW-MSOLQXFVSA-N 427.530 1.213 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705593655 SZXUSWJQHGXHJS-QGZVFWFLSA-N 440.935 1.951 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1705598305 GSMUIMUYABNHAP-MSOLQXFVSA-N 426.546 1.102 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCC2)CC1 1705644896 FMGWSXRYVZHTAO-HSZRJFAPSA-N 445.564 1.200 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705661033 OYSAJXLUDSVOSU-LJQANCHMSA-N 431.537 1.716 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2)C1 1705924993 IXQCQNWLFIUIDF-DLBZAZTESA-N 433.534 1.413 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1706064075 NANUNKJUGJLVML-QFIPXVFZSA-N 440.504 1.251 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1706219255 QZGAFIIIOUXLMK-GOSISDBHSA-N 433.520 1.735 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(=O)OC)C2)cn1 1712465117 HHCGEFKFDGHJRU-IBGZPJMESA-N 435.488 1.707 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1Cc1ccc(C#N)o1 1712643711 NTGCNBDAEMIWTQ-DOXZYTNZSA-N 428.493 1.607 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722319794 PMBRSOYNZGIRJO-SFHVURJKSA-N 430.553 1.149 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC1CCCC1 1722343378 BOLOBJROZYROMB-HNNXBMFYSA-N 432.550 1.722 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722359756 AQFZKTTVRGHDFG-CQSZACIVSA-N 429.531 1.061 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722398515 BBDIMMGHFZQQKS-SFHVURJKSA-N 431.587 1.675 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722455893 RLCPSIYBQYETSW-UHFFFAOYSA-N 427.578 1.353 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722527589 OOMJDCPERQKDEM-VGOFRKELSA-N 442.520 1.902 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722532339 JGSWBBOSFWKGJV-KRWDZBQOSA-N 444.561 1.846 30 10 IDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C 1722598481 IPOQKBCXRHUHFU-MBOZVWFJSA-N 426.583 1.903 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 1722616698 BLDSHSUDXQYFTK-ZWKOTPCHSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1722703584 CFDPNWRECJFYCI-HNNXBMFYSA-N 428.518 1.610 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1722726755 CEUBFAMKMDIKDC-UHFFFAOYSA-N 437.610 1.916 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 1722843769 QPLFXXRPNGILCD-UXHICEINSA-N 438.532 1.973 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1729618888 CEABQEXPPJUBIO-ZDWFVDTJSA-N 438.532 1.973 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1740693432 YEQSBLDFSPRCDK-NFBKMPQASA-N 432.613 1.662 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740705914 OLYTWLVXJNQARY-IBGZPJMESA-N 428.581 1.701 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1740728413 BIUQJVZJIQXVHN-HXUWFJFHSA-N 448.618 1.654 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc(CCOC)no1 1740742185 GDONFVYFGDZIHD-UHFFFAOYSA-N 437.302 1.796 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCS(=O)CC1 1740952475 FPUWNUPTMWFZKC-QGZVFWFLSA-N 431.562 1.906 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C(=O)NC 1740969595 SOVWLOMAIJJQGM-NVXWUHKLSA-N 426.521 1.661 30 10 IDEE CCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1745194591 RZHJJRNUMGAMJC-FUOQNJDISA-N 432.569 1.730 30 10 IDEE CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1745370037 ISMXIHFOWDGKRS-INIZCTEOSA-N 446.581 1.672 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@@H]1C 1747194114 VZFNZSCNFLFGLE-SFHVURJKSA-N 440.552 1.129 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)C1 1748315652 FGOZTMDRLWIIHQ-QZTJIDSGSA-N 443.529 1.783 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1748868069 QUOZLJVXOSBORG-QFIPXVFZSA-N 425.537 1.788 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2C[C@H]2C)CC1 1749015733 LMFZPOQJTCTSMY-WBVHZDCISA-N 440.573 1.891 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749083069 BVLOWQZCYBONTN-KGYLQXTDSA-N 436.376 1.658 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749210240 FCZRRUKTFZUZQM-KRWDZBQOSA-N 434.541 1.822 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749412675 PCAWSFVWEHGIQI-HNNXBMFYSA-N 442.586 1.912 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1749590964 KDMLKPUQTQTELH-WMZOPIPTSA-N 447.561 1.882 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1749680823 SEQDPAODBXKEGX-HNNXBMFYSA-N 431.493 1.188 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(OC)CCOC2)C1 1749692875 CJELKMZGJCQVLV-KKSFZXQISA-N 428.493 1.512 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749756160 UAKQTCILFSUUPM-HOTGVXAUSA-N 434.566 1.564 30 10 IDEE Cc1cccc(-c2nnc(N3CCOC(C)(C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1751624584 HKVAZDMZBJLZCS-ZZEZOPTASA-N 437.504 1.790 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1751980264 AOULSOLXTOVHNQ-KRWDZBQOSA-N 437.548 1.594 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CCC1 1760117753 SUUQNXIARQIBHJ-IRXDYDNUSA-N 439.582 1.276 30 10 IDEE C#CCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760159715 NKSUKFAPNNMQQL-JOCHJYFZSA-N 426.521 1.389 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1760183796 TWEZHAMVKXTTCZ-HNNXBMFYSA-N 445.536 1.869 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760193167 VQUWRHGJOWOTML-BRSBDYLESA-N 438.594 1.858 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760193169 VQUWRHGJOWOTML-WNRNVDISSA-N 438.594 1.858 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760205679 HKMLKZINGNFEPM-IPMKNSEASA-N 431.562 1.059 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760282176 XEXPIOHBYMKAOJ-KRWDZBQOSA-N 431.566 1.552 30 10 IDEE C=C(C)Cn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760349196 CXFRQJGLYPMXQI-LEWJYISDSA-N 432.525 1.321 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1760355587 OYURSHYMWLVGQT-UHFFFAOYSA-N 441.536 1.403 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760449592 OJMQYJKRYYMONR-VQTJNVASSA-N 445.612 1.427 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)CCC(=O)NC 1760519767 OPYVTMYXJSRTIO-UHFFFAOYSA-N 435.326 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(OC)c2)CC1 1760520096 CKDAUOVBVSMMFZ-UHFFFAOYSA-N 433.516 1.978 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@H](C)O[C@H](C)C2)C1 1760533901 PBAHUBQEGIFINR-HSALFYBXSA-N 446.596 1.795 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C1 1760655025 BGTXFXZFTANMJT-IBGZPJMESA-N 447.547 1.931 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1761360527 OKHUZRVZICLESQ-CABCVRRESA-N 442.524 1.222 30 10 IDEE CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1764331600 CXBLQBDKXQCKJK-LZICOFPGSA-N 427.509 1.382 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1769264524 ZDHYTXMJKPIYJB-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1cc(Cl)cn1 1771218474 CTHQXKWFBJBAIE-YJBOKZPZSA-N 448.959 1.729 30 10 IDEE COCCN1CCN(Cc2ccc(C(=O)N=C3NS(=O)(=O)c4ccccc43)cc2)CC1 1850916287 WPZKYSUEQQNTOG-UHFFFAOYSA-N 442.541 1.330 30 10 IDEE CCc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4nccc(C#N)n4)CC3)n2)cc1 1853385161 AWURIHXASGTPDF-UHFFFAOYSA-N 443.511 1.873 30 10 IDEE Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1F 1853952998 NOSDWRQXBVZYTI-UHFFFAOYSA-N 429.473 1.998 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nnc(C(F)(F)F)o3)C(C)(C)C2=O)CC1=O 1854377481 BXCLQZOKHCWUEJ-LLVKDONJSA-N 429.399 1.072 30 10 IDEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855093596 BKXNMXATPZSOSN-GOSISDBHSA-N 432.546 1.141 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2=O)CC1=O 1855955833 PSUXKHVUDYMRJX-KGLIPLIRSA-N 439.921 1.123 30 10 IDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)cc2)C1=O 1863507321 JWLRYAINIGVKMK-UHFFFAOYSA-N 429.473 1.571 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870504879 FLDVOCOOBIKIIN-UHFFFAOYSA-N 444.576 1.902 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705530 NOVCNTYZDDVMNE-UHFFFAOYSA-N 442.524 1.918 30 10 IDEE C[C@@H](C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1)N(c1ccccc1)S(C)(=O)=O 1892191667 HZOOWWUVQLLKHJ-RDJZCZTQSA-N 429.502 1.573 30 10 IDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2077115252 HETLSEISGZYDHS-ZDUSSCGKSA-N 437.356 1.944 30 10 IDEE CN(C)C[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCO1 2172778110 LEFAMPJJKTWWLY-AWEZNQCLSA-N 426.164 1.910 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2247824211 VNGFZUVRWQADNB-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247835070 FSVWDZHCWBEWQF-LBPRGKRZSA-N 441.359 1.400 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@H](NC(=O)C(F)(F)F)[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 2247963656 YSMLSVSFHKJIQI-YPMHNXCESA-N 440.293 1.893 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248405832 TXIMHBFGAPQGAD-WYRIXSBYSA-N 436.343 1.455 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2255601015 DBWHTJUWOSYSHJ-QGZVFWFLSA-N 433.358 1.775 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](O)C1 2255699225 OIRKSXKXLBYJAA-JKSUJKDBSA-N 433.314 1.091 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2255843631 JOUHZZDQSDJSJA-WDEREUQCSA-N 447.288 1.971 30 10 IDEE CC1(C)OB(c2occc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255855625 QTELDHLEUKZQEQ-GOSISDBHSA-N 425.338 1.783 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2256067294 NHCHKIUHQMOBET-BTTYYORXSA-N 430.314 1.371 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267113319 RVYVZOZQEJLBDC-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 2267263931 LKXPPVHJUUYGCE-KBPBESRZSA-N 447.345 1.338 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 2267266396 PGGWHJFBEIULDD-INIZCTEOSA-N 449.357 1.690 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]1C2 2267269508 FJFHPZZHEKZVCI-LRTDBIEQSA-N 447.345 1.244 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2267589041 UUENZAKCRREHBL-XMMPIXPASA-N 437.349 1.748 30 10 IDEE C[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267873450 YOYCYSYHIGZNMO-NEPJUHHUSA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267876692 OPIOZCWJNUVAKX-JLCFBVMHSA-N 444.341 1.905 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)CC1 2270602015 WFEWKBTZQFIRKU-AWEZNQCLSA-N 443.275 1.998 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2301661800 KXHRPCLGCSQTJO-LBPRGKRZSA-N 441.359 1.712 30 10 IDEE C=CCC1(N[C@]2(C(=O)O)COC[C@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2306170330 IXLJEIQBSFIKTD-SPLOXXLWSA-N 441.525 1.889 30 10 IDEE C#CC(CO)(CO)N[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2379594912 BJOIKTMOPRZGJF-LLVKDONJSA-N 427.114 1.519 30 10 IDEE N#Cc1ccc(-n2c(=O)n(-c3ccc(C#N)cc3)c(=O)n(-c3ccc(C#N)cc3)c2=O)cc1 169428396 FOZXGODOEWNWIJ-UHFFFAOYSA-N 432.399 1.754 30 10 IDEE CCc1nc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 426663272 KBIMTWUAEFMKFG-UHFFFAOYSA-N 447.542 1.357 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)c(Cl)c1 445125211 ZVGNNNCGLLXSAD-SFHVURJKSA-N 431.924 1.823 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 466459611 AOTKUKFQDABBCV-OAHLLOKOSA-N 428.493 1.436 30 10 IDEE CC(C)OCCS(=O)(=O)N1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 474155097 BBHPGBRXWLGFBH-UHFFFAOYSA-N 433.490 1.891 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 477012775 QQEDOKNMRHAFQC-UHFFFAOYSA-N 433.555 1.641 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOc4ccc(S(C)(=O)=O)cc43)cc2C1=O 478423911 YXGKPLHUNRFJEL-UHFFFAOYSA-N 426.450 1.911 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 480996980 GWEFYUDZNFIIIN-CVEARBPZSA-N 434.518 1.475 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 481744949 OOYGSYYTHBTRJW-GDBMZVCRSA-N 428.518 1.558 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 482785733 DQEFFHNJEWNHLP-INIZCTEOSA-N 444.517 1.330 30 10 IDEE COCc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)no1 502004901 QQCZWSUMRWVWSG-GFCCVEGCSA-N 432.380 1.869 30 10 IDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508842346 XEOYQVZUJPTCLR-UHFFFAOYSA-N 437.504 1.472 30 10 IDEE COc1ccc(CCn2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)cc1 522110243 AHGILJHAPORIEV-UHFFFAOYSA-N 448.548 1.767 30 10 IDEE CCS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 534248985 NXBYJJQQQQECHP-UHFFFAOYSA-N 447.538 1.499 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)COc4ccccc4)CC3)CC2)n1 546168360 CSSSOUJWDXGQKB-UHFFFAOYSA-N 433.512 1.919 30 10 IDEE CN(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 555382930 JGLBILKYKGHMCX-LJQANCHMSA-N 439.520 1.711 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCNC2=O)CC1 580454896 HYQRKOGJPJPELG-UHFFFAOYSA-N 429.550 1.840 30 10 IDEE COCCOc1ccc(Br)cc1S(=O)(=O)NC1CCN(CC#N)CC1 611510789 FEZOSPWFUFGXEH-UHFFFAOYSA-N 432.340 1.741 30 10 IDEE C#CCN(C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)[C@H]1CCS(=O)(=O)C1 729332611 RBKKWJHTGBPKML-AWEZNQCLSA-N 444.513 1.047 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 746141573 LOJFCGDHDBRRKH-KQWNVCNZSA-N 449.533 1.549 30 10 IDEE COCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1Cl 747494723 DHXNLCPDJMFISJ-UHFFFAOYSA-N 444.875 1.851 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccn(C)n2)C1=O 765546429 WUEXQINPRJZYFK-KRWDZBQOSA-N 432.525 1.759 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)c(Br)cc1OC 779877245 HZCNEIYWKBNJPU-JTQLQIEISA-N 440.312 1.408 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCOCC)c2=O)cn1 781660472 DSDSGUYUDKIIPQ-UHFFFAOYSA-N 428.558 1.815 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 797653818 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IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1286609284 ZPDFJGPMSLWFKW-IAGOWNOFSA-N 435.554 1.206 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](COC)C1 1286780293 SPEIJHSENNWBIF-ZDUSSCGKSA-N 437.342 1.821 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1286858685 DJINPAINDUUARI-XMSQKQJNSA-N 427.553 1.789 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1288724615 BKTQMVPYNSWPRS-HNNXBMFYSA-N 442.549 1.447 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300368576 YHTSXWPGLWNMHR-GOSISDBHSA-N 433.520 1.599 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1300431789 LDHWWSZRTBJIIN-QHCPKHFHSA-N 441.532 1.914 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1300512711 LSTRHOQIUJFCKD-HSZRJFAPSA-N 429.565 1.502 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)CC 1300569736 SIMQUYWQZRHBQI-UHFFFAOYSA-N 436.541 1.896 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC1CC1 1300630195 OYMKMIBRJQCHKO-UHFFFAOYSA-N 426.546 1.801 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1300892432 SLFZRIQXOHZUSG-OPYAIIAOSA-N 430.553 1.487 30 10 IDEE C=CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1301166376 VCAMYYCUGRNOAR-OALUTQOASA-N 443.573 1.819 30 10 IDEE C=CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1301474071 SMITWPFXARTZJG-JTSKRJEESA-N 438.536 1.881 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1301485414 WCRLZYYERUBXQH-OAHLLOKOSA-N 445.549 1.236 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1301879067 ABGSQWFEYTXDIG-NRFANRHFSA-N 438.532 1.975 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1Cc1ccc(C#N)o1 1303372232 HLXXFMNTVJPRKD-UHFFFAOYSA-N 440.508 1.313 30 10 IDEE N#CCc1ccc(OC[C@@H](O)CN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1308143927 ZHXTZMKZVLQMMF-CGTJXYLNSA-N 432.464 1.934 30 10 IDEE C#CC[C@H](CO)NC(=O)NCc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1313281019 SZHGIIJJUGZDKX-HXUWFJFHSA-N 430.549 1.923 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)C1 1313293305 YRWZZXVGIJDBCN-CEXWTWQISA-N 430.553 1.520 30 10 IDEE CCOC(=O)N1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1314025378 QLUZNKGLSWJJNO-HNENSFHCSA-N 445.524 1.282 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1COCCO1 1316085713 DZSYXTWHUNYXKJ-LJQANCHMSA-N 435.488 1.675 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1316098734 JXCLHYXCGKXOHZ-UHFFFAOYSA-N 433.900 1.219 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(C)=O)CC1 1358897046 RXPUMDARQPAAGD-HNNXBMFYSA-N 428.562 1.986 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(CC)CC 1358946131 JWEQHBILKHSTNO-UHFFFAOYSA-N 435.532 1.910 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=C)c2ccccc2)CC1 1359044823 PJYRPRQWPWWMJD-FQEVSTJZSA-N 432.528 1.908 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1359151249 PWDRIDVEETXXCM-OAHLLOKOSA-N 431.946 1.146 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359297208 ISTPEVMDZCAJBX-QGZVFWFLSA-N 440.548 1.997 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359334231 XTDBWKGLGWRXTN-MSOLQXFVSA-N 431.562 1.728 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)CC2=O)cn1 1456159485 AIXPSQYQPVLMNZ-GOSISDBHSA-N 437.500 1.824 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1462073871 HBXAFQSFQUSERQ-LJQANCHMSA-N 442.493 1.940 30 10 IDEE O=C([C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1465184772 RRAWKLFUCXECCY-WBMJQRKESA-N 432.336 1.842 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1468372332 CXHXTAUFQUIWKB-KGLIPLIRSA-N 428.258 1.689 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 1471236294 XERFWNMTZMXVGP-OAHLLOKOSA-N 434.539 1.535 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1478861628 SGJYHNXAIJTJGY-INIZCTEOSA-N 427.486 1.020 30 10 IDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCNS(=O)(=O)CC 1499098397 IFBSBHOROKWMDK-UHFFFAOYSA-N 445.593 1.758 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C[C@@H]1C 1503888823 GMLYPGSDSGAERG-AOMKIAJQSA-N 440.504 1.899 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507539547 WOCGVNANCJIGDB-SQGPQFPESA-N 439.516 1.743 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCn1c(O)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1507621822 CXHILTOYCGKISG-INIZCTEOSA-N 442.545 1.784 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1507622951 PEAXVSNIWYYOOG-QGZVFWFLSA-N 447.586 1.445 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507626744 BOTJWDVBSASESK-GOEBONIOSA-N 432.502 1.335 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1507659597 ZUUSIGFAUMAWLL-KSZLIROESA-N 429.521 1.537 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1507669440 MIGXOYQMCCEVEE-HTAPYJJXSA-N 444.532 1.690 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507698273 KNLZNDLRXUHZIG-IBGZPJMESA-N 438.937 1.520 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C(C)C)CC1 1507719970 GIHJFNXMYLIQTQ-UHFFFAOYSA-N 425.493 1.381 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CC2)CC1 1507734892 BUHCLXZDLUTLHS-UHFFFAOYSA-N 439.516 1.453 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507952089 LNXGHLOYHGHAJT-GOSISDBHSA-N 429.525 1.133 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1508088590 HGGHSAWKSFTSTP-RTBURBONSA-N 429.613 1.843 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1508786088 ZQFVTECWHHJRLC-AUSIDOKSSA-N 438.532 1.709 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1519285149 ZVYXOQNFZBFRRA-OSCRUYLVSA-N 432.525 1.765 30 10 IDEE COc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)ccc1C#N 1519883882 IMXMJZHYRLWMIH-UHFFFAOYSA-N 444.513 1.906 30 10 IDEE COCCOC1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1526051504 DCSKIFCJSGALOA-INIZCTEOSA-N 435.908 1.893 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C1CCOCC1 1529521874 LHVUZVLRBJJFTJ-OAHLLOKOSA-N 436.438 1.904 30 10 IDEE N#Cc1ccccc1Sc1ccc(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)cc1 1535524824 YGBLXWZQKUDEPX-UHFFFAOYSA-N 429.523 1.872 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CCO2)cc1 1538861908 MOPOLHPKHFSIFF-OAQYLSRUSA-N 440.525 1.954 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1539231372 RSWBBNBBEIUUKH-RBUKOAKNSA-N 429.546 1.702 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H]1C 1539258438 XCXGSDHWQYIMDY-GOSISDBHSA-N 439.589 1.795 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1csc(C)n1 1539369340 JYUGANFNIGFOPT-MRXNPFEDSA-N 438.579 1.078 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2Cc2nncn2C)CC1 1539483454 ZFIKXOPBFGLOFH-UHFFFAOYSA-N 432.532 1.320 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1539775079 IFOXNDYNUVAYPJ-JKIFEVAISA-N 433.962 1.415 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539981819 JHJVWEKFEVMULZ-OCCSQVGLSA-N 425.515 1.124 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1540119106 GWNGNWBXNJGWKG-WZONZLPQSA-N 438.532 1.909 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1540859782 HMGOHHAITWJDEV-RBUKOAKNSA-N 443.596 1.403 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1540864021 MWQFOUPGYZHABX-INIZCTEOSA-N 433.516 1.771 30 10 IDEE Cn1cc(C(=O)NCC2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cn1 1544721036 HLRRRODDMVUBDB-UHFFFAOYSA-N 447.492 1.139 30 10 IDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)cc1 1547980605 PLCWOCHCYZAGFJ-VDGAXYAQSA-N 443.504 1.961 30 10 IDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCCNC(=O)C2CCC2)CCO1 1555996420 ZXQNPZQDTUUPEZ-FQEVSTJZSA-N 438.532 1.935 30 10 IDEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)CN1CCOCC1 1556992591 DGYDZHOMGZDKIB-SFHVURJKSA-N 427.505 1.332 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1557697588 QPLCKRWAPMQGKX-QFIPXVFZSA-N 441.576 1.539 30 10 IDEE C=CCCn1cc(C(=O)N2CCC(n3nncc3I)CC2)nn1 1584600093 GDTWOFHOURNWDN-UHFFFAOYSA-N 427.250 1.528 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1587813268 KNDSVSCIPYZXEL-OAHLLOKOSA-N 443.577 1.627 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588054949 QKQYCXIVFLFIIZ-IAGOWNOFSA-N 437.566 1.061 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588064571 KSHWOUWSSNDURO-KRWDZBQOSA-N 447.586 1.083 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1588185870 OXKVAGDMPCPPQH-HSZRJFAPSA-N 443.548 1.872 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1589530524 WGZIXPDJVBPOSV-XLIONFOSSA-N 427.553 1.964 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1593741074 IYXAAWREBQIUEC-GOSISDBHSA-N 429.525 1.441 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1595543882 AWNCIJKGWXFVAZ-HNNXBMFYSA-N 447.486 1.850 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1 1595692645 PVMZDJROYIRUGQ-RUCARUNLSA-N 447.538 1.613 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCn1cccn1 1595778236 XJIAAYMNEWOLBA-UHFFFAOYSA-N 444.517 1.608 30 10 IDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1607665972 NEYSUAHZXGZHFT-YJYMSZOUSA-N 443.481 1.057 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1610403800 UIDIHYLLWIPBGF-YADHBBJMSA-N 430.553 1.927 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCCC2)n1 1612502149 CXHMKOJWHXRHAE-LJQANCHMSA-N 440.552 1.661 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H]1N1CCOCC1 1612910453 FEJGCASNHZHDNF-YLJYHZDGSA-N 437.548 1.452 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1 1617299480 BGRJOHOSMZRQTG-UHFFFAOYSA-N 431.522 1.524 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c1 1624304088 QVMWQNKIZHLSKZ-CEXWTWQISA-N 430.530 1.722 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)N(C)CCC)s1 1626398991 NTYBAJDVOPVQBL-CQSZACIVSA-N 431.605 1.525 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cn2ncnc12 1631745571 UXLADBCRVCPYHI-LLVKDONJSA-N 427.266 1.504 30 10 IDEE Cn1ccnc1C1(O)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1633630437 ZDSBAZLQUVCPBQ-KRWDZBQOSA-N 436.472 1.007 30 10 IDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1634515024 LIWIGACAPBPYQI-JXFKEZNVSA-N 445.520 1.646 30 10 IDEE C#CC1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1 1638866121 NTKQXBONRIZJCI-HNNXBMFYSA-N 445.463 1.490 30 10 IDEE COc1ccc(Cl)c(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1639790962 VUYJPCQOIDFBCE-UHFFFAOYSA-N 448.932 1.847 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)ccc1F 1641896942 USYDZEQTQKGJPI-UHFFFAOYSA-N 443.497 1.314 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1645087843 KZQYCFSNHULBKC-RDJZCZTQSA-N 431.493 1.813 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)c1 1683744259 NGSUYJUDZSDQJK-UHFFFAOYSA-N 440.547 1.635 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1689852620 IBVVWFUYIJIDJY-FUHWJXTLSA-N 439.582 1.418 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCOCC1 1690003564 QNPRAGRPZSVYMX-UHFFFAOYSA-N 432.322 1.660 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690188723 NXUKTAKRZPHYKN-WCIQWLHISA-N 449.621 1.525 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCOC1 1690611621 SNLWIOIUNISTLP-QGZVFWFLSA-N 426.315 1.826 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H]1C(C)C 1690622380 OBIFAFOSFIZPOS-KSZLIROESA-N 426.583 1.880 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)[C@H]1CC 1690668797 JPWZHUOZALDACD-GOSISDBHSA-N 434.504 1.148 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690745171 ZJIQPSFZVOPCSH-OALUTQOASA-N 448.637 1.834 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690970488 GOZSBYWMWJHKRB-HSZRJFAPSA-N 437.548 1.644 30 10 IDEE CC(=O)NCCCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690979600 MWGVBYZMAAIDGT-UHFFFAOYSA-N 427.557 1.243 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1692583722 OJZVPXBMUYHFNA-BHIFYINESA-N 430.553 1.927 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)NC(C)C 1692910135 FMQCDAHPAIWGAP-CQSZACIVSA-N 446.581 1.810 30 10 IDEE Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1693391612 DSQQAPHQARSJQP-QGZVFWFLSA-N 432.488 1.382 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)n1 1693425473 BBGRGIQWYBKYMM-KNQAVFIVSA-N 444.559 1.819 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@@H]1CCOC1 1694735497 RWCHNTBZOCWLLQ-IBGZPJMESA-N 425.537 1.877 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@](C)(O)C(C)C 1698256071 WZNYGCZWARGDII-FUOQNJDISA-N 432.569 1.586 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1705580538 MDBZZJWBRIHVRO-JGCGQSQUSA-N 448.552 1.659 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1705643485 HSLXCTOGZVJAQI-HXUWFJFHSA-N 430.597 1.774 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705898459 MMZLSMCRTQCKLF-KRWDZBQOSA-N 433.534 1.269 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1705900943 VDDMRRXVPBZKSR-UHFFFAOYSA-N 434.504 1.789 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705904852 AHGKWIWABRVFOQ-ROUUACIJSA-N 438.532 1.427 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705927391 XTUBWHYXAJGOPD-RBUKOAKNSA-N 446.577 1.327 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705937797 FHCJFVDJBGUNHI-MOPGFXCFSA-N 449.625 1.659 30 10 IDEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1cccnc1 1706260382 GDPHSSLTTPGSCJ-OTWHNJEPSA-N 444.561 1.744 30 10 IDEE COCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712372594 OHASQHVAILVGGK-KXBFYZLASA-N 442.520 1.964 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@H]1OC 1722353382 VJFIKOCMYBUXDD-RBUKOAKNSA-N 425.537 1.573 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1722426911 OLEDHRJEOHIHLG-MSOLQXFVSA-N 437.566 1.053 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCOC2)n1 1722429555 NKQOYOAKUKTHDM-MOPGFXCFSA-N 428.537 1.691 30 10 IDEE C=CCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722688963 CZNSGSZQZDHWCD-RTWAWAEBSA-N 432.525 1.319 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1722702039 JAFKYJXJJCUQEV-HNNXBMFYSA-N 431.451 1.962 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCS(C)(=O)=O 1722952073 LXNZWZALTLIPNQ-UHFFFAOYSA-N 445.593 1.895 30 10 IDEE Cn1nc2c(cc1=O)CN(c1nnc(COc3ccc(C#N)cc3)n1CC(C)(C)O)CC2 1729603386 HGRZFBPDHHBKDK-UHFFFAOYSA-N 435.488 1.156 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(CO)c1 1730869365 NKNQIWOHFCHLBB-UTKZUKDTSA-N 440.548 1.719 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCOC[C@@H]1OC 1740602616 POYISGYUOSYPLI-MJGOQNOKSA-N 447.561 1.316 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740624116 COBWFBQBNJIFAW-BJLQDIEVSA-N 443.573 1.563 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1740629277 IAEVGUCMNMKIHW-FKSLSLAPSA-N 436.578 1.846 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(F)cn1 1740651061 XTZIONHVSXOKFL-UHFFFAOYSA-N 427.447 1.966 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1740685483 GTPFIGOCHWMXFF-MRXNPFEDSA-N 448.593 1.173 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCC(=O)NC2CC2)CC1 1740697108 RTJUTUIJJGHFAY-UHFFFAOYSA-N 436.560 1.692 30 10 IDEE C=CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740871374 XYWXNHASLLTTHN-SFHVURJKSA-N 448.568 1.239 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1740959644 BIUAGZLTADYHKT-RDJZCZTQSA-N 445.545 1.270 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1741130444 LYTNACLMOGYEGA-OWCLPIDISA-N 437.504 1.328 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1741560999 RTLSYLQSLKQEEY-UHFFFAOYSA-N 445.593 1.534 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1741795738 BGQMANLRMSZBLW-HUUCEWRRSA-N 443.474 1.516 30 10 IDEE Cc1occc1CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1742065033 XQMJZVQGIFXRHY-MEUCICPISA-N 439.476 1.293 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N)CCC2 1742499719 FNVPGQPDYDLUIH-BPUTZDHNSA-N 434.570 1.567 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCC[C@@H]1CO 1748799488 UKNNIYGSHZKZQN-OAQYLSRUSA-N 436.560 1.475 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748814166 ADVWUQVIDHUZME-OAHLLOKOSA-N 433.500 1.666 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1748828809 MLUPTLDCIFSHBP-QHCPKHFHSA-N 449.536 1.424 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OC2CCOCC2)c1 1748841285 XIXZURMLKCYRQB-UHFFFAOYSA-N 431.500 1.753 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1749008758 BHBSKBAQMAYYRY-AABGKKOBSA-N 445.564 1.537 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2nnc(C)s2)CC1 1749016623 HWKTYDXXVPRGME-UHFFFAOYSA-N 436.545 1.438 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1749126534 DGLHCMBMIDGGKF-ZWOKBUDYSA-N 430.553 1.659 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2CCC[C@H]21 1749721927 WRVAMXHQZWJKBS-JKSUJKDBSA-N 430.534 1.905 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)F 1750141907 VAMSUUBRISSAMI-YOEHRIQHSA-N 426.468 1.513 30 10 IDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1750533667 GXQUFFHCJFNCID-SFHVURJKSA-N 444.561 1.592 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1760218073 WWUCKHSGIBILCV-HXUWFJFHSA-N 432.528 1.880 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760263393 ZJRKATYIMLQISQ-GOSISDBHSA-N 440.514 1.639 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760441162 ZIESSTGLZMNPRK-QGZVFWFLSA-N 438.598 1.730 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1n[nH]c(C)n1 1760463433 CADUIWDZIKNGOL-HNNXBMFYSA-N 432.529 1.878 30 10 IDEE C=CCN(Cc1cccs1)c1nnc(COCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760488099 LWXHIOWIGLLSMQ-SFHVURJKSA-N 426.564 1.618 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC([C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1760528749 LHJQIHQQYNIAPB-AVRDEDQJSA-N 433.553 1.628 30 10 IDEE CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1767097001 HEBXKSDEUKPSAI-GCJKJVERSA-N 430.601 1.572 30 10 IDEE CCOC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1767276278 NCRKQZUQYDLOBO-UHFFFAOYSA-N 427.465 1.306 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1768034194 BNQKHDRYNRFKEH-OAHLLOKOSA-N 426.477 1.842 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(=O)(=O)N(C)C 1769982744 KLNDYNIPGCQOIT-HNNXBMFYSA-N 428.559 1.024 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1)OC 1770763103 QTLZDTQNIUTBKS-JRGCBEDISA-N 440.548 1.635 30 10 IDEE COCCn1cc(Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1771124323 GWJNKMPCTFVZJR-FQEVSTJZSA-N 437.504 1.786 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCCN2CCC[C@H]2CO)cc1 1771532413 ZQSQGDZYZYPIJV-PMACEKPBSA-N 437.548 1.365 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCO[C@@H](C#N)C1 1850781090 ZIUAFRMQFMKOCB-UWVGGRQHSA-N 425.816 1.777 30 10 IDEE N#Cc1c[nH]c(=NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)c2ncccc12 1851056346 PHBYXUNOMVNSDC-UHFFFAOYSA-N 443.511 1.872 30 10 IDEE CS(=O)(=O)CCCN1CCN(C(=O)c2cccc([C@@H](C#N)c3ccccc3)n2)CC1 1851524378 XAWNANTWDVCAHS-IBGZPJMESA-N 426.542 1.930 30 10 IDEE CC(=O)N1CCC2(CC1)NS(=O)(=O)c1ccccc1N2C(=O)c1ccc(C#N)c(F)c1 1853087773 XARBNODADHDMJV-UHFFFAOYSA-N 442.472 1.975 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)[C@H]4CCOC4)C3)CC2)cc1 1855640731 XENGUOWPQRHBGN-ZWKOTPCHSA-N 431.514 1.371 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 1862610239 GIGJYDJJGXGCSR-HXUWFJFHSA-N 439.420 1.800 30 10 IDEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc2nc[nH]c2c1)N1C(=O)c2ccccc2C1=O 1870143097 WMVCRVMEZLPWFN-NSHDSACASA-N 426.396 1.638 30 10 IDEE C=CCNC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(C)C 1873841088 LHZXTWSFKSHFDA-YJBOKZPZSA-N 425.526 1.669 30 10 IDEE COc1ccc(N2C[C@H](c3nnc(SCC(N)=O)n3/N=C/c3ccco3)CC2=O)cc1 1874199580 RGYULNVMGWYRGY-HKXVIOCSSA-N 440.485 1.860 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@H](Oc3ncc(Br)cn3)C2)cs1 1891449549 SMGBKIDNIQDXOV-NSHDSACASA-N 438.307 1.905 30 10 IDEE COC(=O)[C@H](CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1)NC(=O)OC(C)(C)C 2060639252 FYOYKCBYNIVHCI-KNCOVGOOSA-N 438.330 1.993 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ncc(C#CCO)s1 2089707376 NFFABFORELRHGO-UHFFFAOYSA-N 433.511 1.695 30 10 IDEE Cc1nc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247906795 QIKPFBIFNKYDSB-GFCCVEGCSA-N 441.359 1.366 30 10 IDEE C[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)NC(=O)OC(C)(C)C 2247950811 GOQBSRFGSMPSCZ-CYBMUJFWSA-N 441.359 1.572 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609164 DZPJCAXMSUJABJ-CYBMUJFWSA-N 436.318 1.390 30 10 IDEE C[C@@H](CCNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255610120 YAXKSLPRVZITCQ-ZDUSSCGKSA-N 437.350 1.490 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255623972 BKFIUHNAHSOPGB-OKILXGFUSA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C2(CC2)C1 2255629745 AHGXKYAGMOOPON-CQSZACIVSA-N 432.330 1.838 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C 2255633779 HOYVTTZXAGIBQE-ZDUSSCGKSA-N 436.362 1.918 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255839131 QTKXVHGKBIEVTP-OLZOCXBDSA-N 435.334 1.100 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCOC1 2255933989 WOUHPELVSVPDAG-INIZCTEOSA-N 448.354 1.094 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2259926182 LRKOIDFOBRJRBB-LRTDBIEQSA-N 432.330 1.696 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3coc(B4OC(C)(C)C(C)(C)O4)c3)CO[C@H]2C1 2267009765 OJFTUHASHQRHDY-JYJNAYRXSA-N 448.325 1.943 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2267131963 JQPDSHWJDYQOIN-PEBXRYMYSA-N 446.357 1.941 30 10 IDEE Cc1ccnc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2267149717 AUYNAVVAJVNYPG-IBGZPJMESA-N 441.259 1.972 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](CO)C1 2267287837 YEDYBZFOJDFZCI-ZBFHGGJFSA-N 449.357 1.662 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2267495331 LEALVLBBIKXOBQ-FVQBIDKESA-N 448.325 1.943 30 10 IDEE CCn1cc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)nc1B1OC(C)(C)C(C)(C)O1 2267497844 PWJYQKGHSVVZNH-UHFFFAOYSA-N 440.353 1.179 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267598416 ZPBDDIHTVUNDQN-OCCSQVGLSA-N 443.275 1.996 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(CNC(=O)OC(C)(C)C)C1 2272635695 DLEWBVCKEMPPHO-LRTDBIEQSA-N 447.345 1.101 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)CC1CCC1)NC(=O)OCc1ccccc1 2286013297 WTWOLVCDIISZRA-SFHVURJKSA-N 437.518 1.800 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2312856245 YVUQEACIZVHZAM-AEGPPILISA-N 432.330 1.457 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)n1C 2315684511 OYULIVNAFXYUOB-ZIAGYGMSSA-N 434.346 1.671 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 2337184490 QTPYYFLYDBHLFE-RBSFLKMASA-N 446.357 1.847 30 10 IDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ncnc3c2cnn3C)CC1 28178373 BHWHLGUZAVPMFL-ZDUSSCGKSA-N 436.545 1.934 30 10 IDEE C=CCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC)cc1Br 66056924 QTFZBTKYGINJOG-AWEZNQCLSA-N 425.279 1.908 30 10 IDEE COc1cc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C#N 427230836 RVACPFZLNOSJHQ-KSZLIROESA-N 433.530 1.293 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 460558756 YGRAUSZGWQGUQA-DLBZAZTESA-N 427.571 1.440 30 10 IDEE CCn1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 462444642 LAGGOAXAZBMQAK-UHFFFAOYSA-N 437.547 1.087 30 10 IDEE CNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cn1C 468352633 MXXILFGPARIUTQ-UHFFFAOYSA-N 429.502 1.768 30 10 IDEE C=CCOC[C@H](NC(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12)C(=O)OC 481752388 DBTIHKMRMSMMRR-AWEZNQCLSA-N 427.413 1.467 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 502517139 GCAAOEHGVPGSOS-OAQYLSRUSA-N 445.545 1.662 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 505698928 DWNSVHIVCYLZCQ-MRXNPFEDSA-N 428.558 1.639 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N(C)CCCOc1ccc(S(C)(=O)=O)cc1 508823037 AXVUDXYPMZQBJY-GOSISDBHSA-N 436.534 1.861 30 10 IDEE CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 522297769 ATTPYNJELUCLEU-WMZOPIPTSA-N 447.561 1.221 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC1)C2 535986392 NRGYYMHIGGKKQB-OALUTQOASA-N 445.589 1.262 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 549327366 KQKDSBKOLNAAQU-ZWKOTPCHSA-N 425.599 1.693 30 10 IDEE C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1)N1C(=O)c2ccccc2C1=O 586017487 BSPWGSLKDZZFNM-CRAIPNDOSA-N 430.464 1.964 30 10 IDEE Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1cccc2c1CCN(C)C2 609447094 RALHHHQIDVHNMH-UHFFFAOYSA-N 442.527 1.793 30 10 IDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(NS(C)(=O)=O)CC1 669811418 QPCWBNDXEURIBI-UHFFFAOYSA-N 430.578 1.935 30 10 IDEE CCNS(=O)(=O)c1cccc(I)c1B1OC(C)(C)C(C)(C)O1 694959273 KIVYIWPZPQWYCD-UHFFFAOYSA-N 437.108 1.889 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2cocn2)C1=O 735224704 UZYWCRYOVIEJHJ-KRWDZBQOSA-N 445.501 1.603 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 743677525 MCQCHYUOLNXHJC-UHFFFAOYSA-N 431.493 1.637 30 10 IDEE C[C@@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)Nc1sc2c(c1C#N)CCC2 744772359 HEPFEXAXUKQVSS-RISCZKNCSA-N 425.532 1.793 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 746639435 YMUMQCMYIQQQJJ-LLVKDONJSA-N 426.394 1.425 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 748066737 UQLYXWILJONXRT-UHFFFAOYSA-N 442.493 1.166 30 10 IDEE Cc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1S(=O)(=O)NC1CCCC1 752625518 DSRDGDXBWKLELZ-VZCXRCSSSA-N 446.529 1.472 30 10 IDEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 755025868 GRIBKZFODHKDHR-LJQANCHMSA-N 448.932 1.895 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCCC1 756910897 DTDMCBDKBUKBNP-UHFFFAOYSA-N 447.557 1.169 30 10 IDEE COC[C@@H](ONC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757479367 KTZAKIDFAUFZPA-HXUWFJFHSA-N 438.436 1.676 30 10 IDEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(C(F)(F)F)cc1C#N)c(=O)n2C 758125848 IPWQYUUKIUINFB-UHFFFAOYSA-N 435.362 1.571 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)nc1I 761136147 BHVMVPZPBNIPLD-UHFFFAOYSA-N 449.252 1.924 30 10 IDEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1 768422876 VLHPESCNJYAYDK-QGZVFWFLSA-N 443.577 1.577 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCCOc2ccc(C#N)cc2)C1=O 771271455 WJDQJADPVCXUSX-QHCPKHFHSA-N 436.468 1.838 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2Cl)N(CCc2nnnn2C)C1=O 771553898 UMSWRIHBIIWVSZ-CYBMUJFWSA-N 437.913 1.182 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772899826 ZWHZZZLZJFIEAG-UHFFFAOYSA-N 428.583 1.876 30 10 IDEE C=C(C)CN(CC)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 777291455 XBNZVFQNWYNKMU-QFBILLFUSA-N 426.535 1.299 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)=NO1 789979733 UYSWAXSLYLNEGS-ROUUACIJSA-N 427.505 1.893 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2nnnn2C2CC2)C1=O 790726093 HVBLQBWTOIXHKI-CQSZACIVSA-N 448.578 1.269 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(c2ccc(F)c(F)c2)CC1 791078263 HMORPKNHLSNUHA-UHFFFAOYSA-N 434.468 1.742 30 10 IDEE CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793470537 ZRKLITLEKOUWOW-UHFFFAOYSA-N 449.536 1.423 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C)[C@@H]1CCS(=O)(=O)C1 809881202 ZSONAOUAIUVZJN-CYBMUJFWSA-N 439.335 1.880 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811230686 VEPDWXXRYIJWSR-YOEHRIQHSA-N 436.534 1.598 30 10 IDEE CCN1CC[C@H]2OCCN(C(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 818033452 HOLKCJDJQFSCSD-GBESFXJTSA-N 448.589 1.461 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c(Cl)n2)CC1 1124791138 YGJZJJWOIVMUOD-UHFFFAOYSA-N 449.876 1.970 30 10 IDEE CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136731713 FLHJJWJROIXEBU-BLLLJJGKSA-N 427.523 1.799 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1F 1140750592 RVZGIPTZZDNUSF-HUUCEWRRSA-N 443.497 1.000 30 10 IDEE N#Cc1cc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(Cl)c1 1158182661 QTCPTGTZKOTQLF-GCULGPDHSA-N 430.313 1.806 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](Cc3cncs3)C(=O)OC)ccc2c1=O 1161774850 FEDKEYXXXJXPOG-OAHLLOKOSA-N 430.511 1.842 30 10 IDEE C#Cc1ccc(S(=O)(=O)N(C[C@@H](O)COc2ccc(CC(N)=O)cc2)C(C)C)cc1 1188823991 PTIBFNSQKKJWSB-LJQANCHMSA-N 430.526 1.535 30 10 IDEE COC[C@@](C)(CC(=O)OC)NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1191799797 GXMLFPKJCNMQGH-QMHKHESXSA-N 446.548 1.914 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2F)CC1 1229453271 BGGZCPNWZCKPKG-GFCCVEGCSA-N 447.330 1.444 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1286386894 JBKNUAKGFOWVBG-GOSISDBHSA-N 438.513 1.419 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286390193 YLJSZHUWUYTUIW-QZTJIDSGSA-N 429.546 1.702 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286392227 LEGNMAVIBZRNGK-UXHICEINSA-N 433.622 1.978 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1286467403 PGJYHMLWXVGDIK-QGZVFWFLSA-N 431.562 1.639 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ncn(C)n2)CC1 1286474682 JNEBREFSNOPVFG-UHFFFAOYSA-N 447.366 1.701 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2ccnc2C)CC1 1286646687 URVNUTQKKIEEGR-SFHVURJKSA-N 449.581 1.363 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C)c1ccccc1 1288559692 CESUHLUHMXSUBZ-RYRKJORJSA-N 432.550 1.811 30 10 IDEE CCN(CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1295527216 GULRBJZQPHJNSR-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCOC[C@@H]3C)CC2)s1 1298699631 LJQKJULWMCULRH-HNNXBMFYSA-N 427.592 1.467 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1 1299386775 FPYREKKMQWWRQQ-UHFFFAOYSA-N 433.512 1.302 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1300412379 XFNBJLHWKTYYJW-IRXDYDNUSA-N 446.552 1.667 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1300579028 LZGPIRLQPVLMEV-UHFFFAOYSA-N 444.495 1.922 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1300656219 BQTGJSWGEHNMDT-GOSISDBHSA-N 427.530 1.728 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1300671084 BODJAYMOMHWKGF-LJQANCHMSA-N 432.546 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NC(C)(C)C)CC1 1300725078 FWQQGKCWNVHDCE-SFHVURJKSA-N 444.580 1.443 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1300780773 WPOFYBIRIXBGKS-CBGDNZLLSA-N 445.593 1.963 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300885974 UOVJZAJKIDZCHI-ZVDOUQERSA-N 446.596 1.711 30 10 IDEE C=C(C)Cn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1300970253 MVTKWZJKTHBQSU-QHCPKHFHSA-N 448.612 1.887 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1301050905 HSBKJEVVZYJUMS-UHFFFAOYSA-N 427.962 1.410 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1301296082 FFDQTJRKNYMLQQ-KRWDZBQOSA-N 438.573 1.787 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](OC)C1 1301588048 BPJUZWBTXIOIED-MAUKXSAKSA-N 434.518 1.617 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1301806405 GETNNDBHEHSBPQ-WJOKGBTCSA-N 448.549 1.673 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1302211505 APQPSPVVBJQPMN-UHFFFAOYSA-N 435.532 1.933 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1303443662 XAGKRUBEFZMCIN-IBGZPJMESA-N 442.520 1.495 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H]1COCCO1 1314393796 PYCQNAJVHHOBQG-GOSISDBHSA-N 427.509 1.213 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1314633001 AHMYOVYXAFPRSQ-IBGZPJMESA-N 434.497 1.269 30 10 IDEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)cc1 1315448281 YXSIKYXQXBCPQE-UHFFFAOYSA-N 446.577 1.751 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCN(C)[C@H]3c3ccc(F)cc3)CC2)o1 1324155822 AIKSXXGDXUSUGR-NQIIRXRSSA-N 426.496 1.677 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2c(Br)cnn2C)c1 1356458273 RYFQYCUHWHUJBZ-UHFFFAOYSA-N 431.290 1.670 30 10 IDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358937053 GVFHBLGGAKEGAG-QGZVFWFLSA-N 439.568 1.767 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)[C@@H](C)CC 1358941730 VWDHHNWBOWGSJS-KRWDZBQOSA-N 432.594 1.995 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358960925 OIARCRQELKDQJK-RTBURBONSA-N 429.546 1.926 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358972254 YZNBGQUPTWCEIE-INIZCTEOSA-N 431.949 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C1CC1 1358975849 GWACGYSRDJMJIG-UHFFFAOYSA-N 439.589 1.795 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N(C)C)CC1 1359043025 DGPHYSNRLFSTSA-UHFFFAOYSA-N 426.496 1.528 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359047685 PHWNPUUXCOHUAS-FQEVSTJZSA-N 446.596 1.137 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C 1359106943 XUHLQBMCKNYNGI-GFEQUFNTSA-N 433.553 1.650 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(N4CCCC4=O)cc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1439793546 DVIZFHJLAINMCR-KBXCAEBGSA-N 441.431 1.843 30 10 IDEE CC(=O)c1cccc(OCc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)no2)c1 1439797354 QHKVYETZSLQLTO-MGPUTAFESA-N 429.454 1.467 30 10 IDEE CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)NCCN(C)C 1447190549 AOKUXYZNWGEWEC-LPHOPBHVSA-N 447.967 1.773 30 10 IDEE CC[C@H](CN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1455940001 FOIJMNVMLUHXSC-LJQANCHMSA-N 434.562 1.186 30 10 IDEE C=CC[C@H]1CCN1C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1456852618 KTQKYWRLBZLWKN-HOCLYGCPSA-N 434.967 1.599 30 10 IDEE CS(=O)(=O)C1(C(=O)Nc2ccc(C#N)cc2I)CCOCC1 1462864339 OSRAFYOSMIRKCZ-UHFFFAOYSA-N 434.255 1.695 30 10 IDEE Cn1ccc(N2CCC[C@@H](NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2=O)n1 1469025062 DTCXIFBNFQUMHT-HXUWFJFHSA-N 435.532 1.751 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 1469876741 JLNSLDLJFWSVSQ-UHFFFAOYSA-N 439.534 1.686 30 10 IDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(C#N)CCOCC1 1472339137 UCTGHELBIJZEGY-KRWDZBQOSA-N 437.518 1.153 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@H]1C 1502330657 AAZHOXFNUYUIMF-GOSISDBHSA-N 435.536 1.941 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC[C@H](CO)O1 1503104209 PGJHGTNNAMROHI-ZWKOTPCHSA-N 444.511 1.692 30 10 IDEE COC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1504587311 CGOATGKSAPWCGF-FQEVSTJZSA-N 448.531 1.519 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CC)c2)c1 1507551341 WRHYCQZYQXNYCT-IBGZPJMESA-N 446.515 1.550 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1507617471 UPZUQMKHTBZQTR-YOEHRIQHSA-N 437.516 1.831 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1507622946 PBYPNZRDUHAQEZ-QGZVFWFLSA-N 445.520 1.328 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507630964 KEYLUVUYNQAFCK-IEBWSBKVSA-N 445.593 1.037 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507636109 YWITWGBYYSPYII-NZSAHSFTSA-N 429.546 1.316 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCc2ccccc2C1 1507703220 SOPLBAXBDUCQIL-UHFFFAOYSA-N 436.560 1.658 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 1507732845 UPWUPRHCXKFZOP-UHFFFAOYSA-N 445.527 1.463 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccccc1 1507853948 HPOZXCQTZBRGEY-SJORKVTESA-N 446.577 1.694 30 10 IDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1516875947 AIYKDPWCZLIIGO-KEGLGMRESA-N 445.501 1.611 30 10 IDEE CS(=O)(=O)CC1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1523336101 ZWAHCSDBOYBDNL-HTWSVDAQSA-N 446.529 1.483 30 10 IDEE N#C[C@]12CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]1CS(=O)(=O)C2 1539118441 MPLWQURLAUFPQZ-XHDPSFHLSA-N 428.264 1.297 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539225327 MWGDKBMETUYSTJ-SFHVURJKSA-N 433.578 1.260 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1539225817 QFFDOEQBRAFEQO-KRWDZBQOSA-N 435.500 1.936 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539230724 PRFIFAWRMBOMQC-QGZVFWFLSA-N 433.578 1.463 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(CC)C2)CC1 1539484286 JYRXJOTYDZLGJO-HXUWFJFHSA-N 435.576 1.572 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1539631106 IWXBFCIRZVOLIR-NXHRZFHOSA-N 439.582 1.581 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](OC)[C@H](OC)C1 1539644646 HIXVOBUSSYVLCX-OROIIQQLSA-N 436.553 1.833 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539900709 RHLNKNCECVDLQF-UHFFFAOYSA-N 431.585 1.327 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1540064232 ORAGJCOZGGMYQC-OAHLLOKOSA-N 442.545 1.782 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C)C1CC1 1540107770 CQPVMKTWCQEGEN-OXFYSEKESA-N 439.582 1.317 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1540880048 VUEQMLHGLXDIPS-UHFFFAOYSA-N 438.532 1.840 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1540902268 FLGASOHCFSQMEO-JKSUJKDBSA-N 426.539 1.510 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1540926616 HBANWJNGGCXKBQ-UHFFFAOYSA-N 425.493 1.474 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCc2cccnc21 1541927879 RHWIXMOOLBGXRT-DKICVRJWSA-N 447.540 1.845 30 10 IDEE C#CCOc1ccc(CNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1 1543709291 XNUYLEZJLSLIFX-UHFFFAOYSA-N 435.523 1.447 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1554301361 KCPVVEYFBQDOJL-IBGZPJMESA-N 437.548 1.500 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)c1 1558783661 JQXCPQWFKFSGGM-OAQYLSRUSA-N 426.498 1.129 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3C(=O)NC(C)(C)C3=O)C2)C1 1558813332 YBNMFSDVVRHMBK-HVPFBLEYSA-N 447.536 1.610 30 10 IDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1568551822 UPEMCDIIISALRP-QGZVFWFLSA-N 438.550 1.962 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1584747701 IRSYMMFTIGKEKH-AEFFLSMTSA-N 445.321 1.861 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1Br 1584941232 GYDPPUXAENIMEB-UHFFFAOYSA-N 442.335 1.726 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 1587295807 GFOHIMJOBYYZOK-UHFFFAOYSA-N 429.882 1.441 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Br)cs1 1587909493 MCXDEOLNJSHXNY-SNVBAGLBSA-N 432.369 1.830 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588054630 OWSLCXRTGKPOGK-OALUTQOASA-N 429.546 1.784 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1588128470 LSAZGAAMGOWWNC-HKBQPEDESA-N 436.541 1.516 30 10 IDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1589421089 DGRLBGPJQAYLTN-CYBMUJFWSA-N 437.346 1.917 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@]1(OCC)CCOC1 1593683268 KBMHGMVQPLYPJR-AVRDEDQJSA-N 434.585 1.543 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COc2ccccc2)C1 1595467752 YSRZSFTZFXAWQB-SFHVURJKSA-N 442.520 1.003 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C(C)=O)CC2)C1 1595722160 JGDJVRCIPRCCBI-PMACEKPBSA-N 432.569 1.465 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595811878 FKNXSYQOXNBFNX-IBGZPJMESA-N 435.575 1.248 30 10 IDEE CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614473813 AMMXLYAIOZBBJP-UHFFFAOYSA-N 439.568 1.831 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(CC(=O)OC)c2ccncc2)s1 1617290205 IPFZPYUUJYDIDG-LJQANCHMSA-N 437.543 1.745 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)CC1 1617909818 DFJHADQIOOJOEU-ZCNNSNEGSA-N 434.537 1.186 30 10 IDEE COc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)c1 1619330547 GOWNOJROTVILHO-MRXNPFEDSA-N 439.520 1.435 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)CC1 1619546856 GFNMOVJPBQXWFF-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cn3cc(Br)ncc3n2)cc1 1625737903 FYNHYLBVXVRBKJ-UHFFFAOYSA-N 435.263 1.280 30 10 IDEE C=CCOC[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)C(=O)OC 1626204758 LUBAJAAOANKVAZ-CVEARBPZSA-N 427.295 1.877 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)cc1 1626947756 BDEVFMFDSIGDCB-NRFANRHFSA-N 449.529 1.405 30 10 IDEE N#C[C@]12CN(C(=O)c3cnn(Cc4ccccc4)c3Br)C[C@H]1CS(=O)(=O)C2 1627136385 GTNRCVSGINWDNI-KBXCAEBGSA-N 449.330 1.704 30 10 IDEE COCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1627564867 DIEKHYGJNOCETL-UHFFFAOYSA-N 425.507 1.309 30 10 IDEE N#Cc1cn(CCC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c(=O)nc1O 1628658195 HIYQAQRKSINXRW-UHFFFAOYSA-N 445.907 1.524 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCC3CCN(CC#N)CC3)nn2)C1 1629083283 YPHBQPRSIZXUHG-KRWDZBQOSA-N 431.541 1.815 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 1630614129 HYLIXTPBZMKHSU-UHFFFAOYSA-N 429.926 1.605 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 1631330954 OGDBXDDPMHVSEX-SFHVURJKSA-N 435.440 1.929 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1638323846 LTPQWBQGQNRMPO-SFHVURJKSA-N 425.532 1.314 30 10 IDEE Cc1cc(CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C2CC2)cc(S(N)(=O)=O)c1C 1639774085 SCFUWGZLHVNXFF-UHFFFAOYSA-N 440.525 1.744 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](Nc2ncccn2)C1 1639943003 LGOZDSMGTATGFJ-WBVHZDCISA-N 442.545 1.787 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1642899755 BCAAOPHOECHSHJ-UHFFFAOYSA-N 444.488 1.527 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)CC1 1644285089 HKURHXNQLFYCGP-UHFFFAOYSA-N 449.964 1.875 30 10 IDEE CCC(=O)NC1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1654791596 SXFYDLFXJAEROX-UHFFFAOYSA-N 440.504 1.445 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1 1665969462 NRCQUCXLPZDGAM-INIZCTEOSA-N 442.563 1.744 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[C@H]1N1CCN(C)CC1 1668051447 BUDDLRWSFAOZIU-RHSMWYFYSA-N 441.395 1.967 30 10 IDEE CC(C)Oc1ccc([C@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)N(C)C)cc1 1673323346 YDUXAGSXJSBSFI-IBGZPJMESA-N 440.504 1.477 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC3SCCS3)CC2)cc1 1674771628 JRRCMDMZDNHJBH-UHFFFAOYSA-N 426.589 1.770 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3snc(C)c3C#N)CC1)CCO2 1676004386 JGRYDWCCOJWABB-RDYUPDBUSA-N 433.534 1.656 30 10 IDEE C#CCOc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1679101111 LHDZTIISLAAKLU-UHFFFAOYSA-N 435.546 1.471 30 10 IDEE C#CCOCCNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1685864543 DZGDEBKCZKFCGG-UHFFFAOYSA-N 428.493 1.741 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689860971 MBBKHBPLDQWHPF-QZTJIDSGSA-N 431.562 1.639 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1689990168 MFHITRSGOJQSOO-RDJZCZTQSA-N 449.602 1.866 30 10 IDEE C#CCN(c1nnc(COc2cc(C)ccc2C)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689996401 IFPZSCWOXBBMEK-GOSISDBHSA-N 446.573 1.872 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1690024250 YBFBHFOTIAUANO-GHVJWSGMSA-N 428.496 1.663 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(C)C)N1CCOCC1 1690073853 IUCFYBVETFYHLI-GOSISDBHSA-N 428.537 1.822 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2C[C@H]2C)CC1 1690115142 UKDOFBYGNCLNDI-IEBWSBKVSA-N 442.589 1.607 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1690245864 NVSDCWIWTVCBRE-BBWFWOEESA-N 427.571 1.438 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1690328244 HWIROUILXWIFRE-OLZOCXBDSA-N 446.986 1.984 30 10 IDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1690350266 DDXRPYRUGLTSLH-UHFFFAOYSA-N 431.990 1.860 30 10 IDEE C=CCCOCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690512196 PJYRGYWVXKHWMY-YADHBBJMSA-N 436.553 1.907 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1690670870 LCXRGRJELDFESZ-CEXWTWQISA-N 446.596 1.996 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1690677002 KOSDQBLPKFNJMM-HTAPYJJXSA-N 443.552 1.035 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ncccc2F)CC1 1690729259 KHBFCLOXBWVVHR-UHFFFAOYSA-N 438.529 1.276 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](OC)C(C)(C)C1 1690732287 YQFFKHMRWQOZKD-BBWFWOEESA-N 442.582 1.464 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1690994990 BAORRBKKOFWUJT-IRXDYDNUSA-N 446.577 1.665 30 10 IDEE CC(C)CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1692339405 NKMLGUFLLDVFQY-BSBNDGSWSA-N 441.536 1.771 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1692522691 INNLVTDSMOSLJY-VFNWGFHPSA-N 445.474 1.342 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1692586027 YPIFBCPXJVOXHU-JTSKRJEESA-N 430.553 1.973 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)cs1 1693352083 MPUOYOXLUGEXET-UHFFFAOYSA-N 438.579 1.435 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCOCC1 1694778038 BUDOWSOVUWLTLL-XLIONFOSSA-N 437.548 1.500 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)c1 1697308652 RKZDCGKECIZSAI-UHFFFAOYSA-N 443.485 1.710 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705530665 QKICEYMHHDOZPJ-KRWDZBQOSA-N 432.550 1.317 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)N1CCN(CC)CC1 1705556735 FQCVKFCWCARWOL-IBGZPJMESA-N 426.565 1.961 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2nncn2CC)n1 1705630710 DJMKVADSVQMXOW-UHFFFAOYSA-N 425.541 1.718 30 10 IDEE C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705758602 ANFCMJBONZZHJT-OAHLLOKOSA-N 430.896 1.065 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CC1 1705769148 KJAOXFZSBOFUFB-SFHVURJKSA-N 436.626 1.363 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C(=O)OC)C1 1705908699 UFXXEMGUKUCOJS-KRWDZBQOSA-N 427.505 1.721 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1706941576 WJCUBLIAQOICKI-JSGCOSHPSA-N 448.325 1.679 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CCCO1 1708233733 ABXCYYLNNSKBLL-INIZCTEOSA-N 445.545 1.921 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1712401174 SWYFYNSLONRVGT-MRXNPFEDSA-N 441.536 1.332 30 10 IDEE COCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cn1 1712465851 DEYLCNLKEOTGQX-UHFFFAOYSA-N 449.563 1.961 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)F)C[C@H]1c1ccccc1 1712887922 XLQUSJOYZZFGOX-BBWFWOEESA-N 430.459 1.907 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722358713 LEVJEEQJKLXFNU-CVEARBPZSA-N 439.582 1.104 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722368817 SZKDOPBQLRAXFH-IBGZPJMESA-N 441.557 1.141 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC 1722376955 JNAGTYJRPFBGBH-UHFFFAOYSA-N 431.504 1.156 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1722398175 YOJAGGKOWHKONP-LJQANCHMSA-N 445.545 1.332 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OCC)c1 1722412643 CMYGFRBNBRVANB-IBGZPJMESA-N 447.561 1.518 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(=O)(=O)N(C)C)CC1 1722434685 XOXIBKDHXSTREX-UHFFFAOYSA-N 442.545 1.338 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cnn(CCOC)c2)CC1 1722446111 NBLRQEZZACKSCB-UHFFFAOYSA-N 448.531 1.197 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1722482573 BKWHLCFBVICGDD-LBPRGKRZSA-N 432.344 1.151 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1722538240 WCZLNMSGFWJHRV-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722701587 WDXGQJBPIQPLSU-QGZVFWFLSA-N 438.598 1.079 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1722725447 LVMJJWNOTZUFIG-QGZVFWFLSA-N 431.562 1.911 30 10 IDEE CCC(CC)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)SC 1727136989 DKLBYRQHWHOTLG-KGLIPLIRSA-N 430.600 1.539 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCOC1 1730750816 ROCTVTWLODJTOE-REWPJTCUSA-N 441.532 1.848 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1740632018 ZSYOLJGIQMLCSK-UHFFFAOYSA-N 448.552 1.931 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCCCC2)CC1 1740698719 MHYBFJOECJAHBS-FQEVSTJZSA-N 427.597 1.278 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1740731626 DZEZSAULHICQDQ-FUHIMQAGSA-N 435.550 1.296 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1740744413 ARHJVQUDWGDYFP-CABCVRRESA-N 444.399 1.763 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1740786922 SSYMCDNJSZPAIE-KRWDZBQOSA-N 442.568 1.931 30 10 IDEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740788139 OYVDTVLUERGJRP-KRWDZBQOSA-N 442.520 1.769 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741487097 RBEIGZCUHFYGQA-SGRLSNSRSA-N 446.552 1.633 30 10 IDEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1747330352 NNYOBCOKOBFCSP-JKSUJKDBSA-N 439.524 1.033 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1747422276 XSKYICBNIIYNSG-HOTGVXAUSA-N 425.555 1.567 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N2CCOCC2)CCSC1 1748689547 CUWXONYPOOQTIJ-MDPIYQRISA-N 449.621 1.668 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccnc(C(C)(C)C)n1 1748790799 MOMROQHEZODWNZ-INIZCTEOSA-N 430.578 1.970 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1748978817 PJZZTJSSUJJJGX-OFNKIYASSA-N 430.597 1.417 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCN2CCN(C)C(C)(C)C2)CC1 1749004519 LADWMXASISNZSC-IBGZPJMESA-N 443.640 1.783 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCc2ccco2)CC1 1749010769 PRSXZGORXGATEH-UHFFFAOYSA-N 449.515 1.159 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749019619 AXOOTPHDQHIWKL-MRXNPFEDSA-N 433.582 1.119 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749122444 VYTDAIJLYMIZLD-FUHWJXTLSA-N 436.538 1.208 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1749458080 XQSLLKGPAXDUSM-QGZVFWFLSA-N 431.541 1.206 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(CC)CC2)C1 1749692896 CSEPDERMPHMBLI-MOPGFXCFSA-N 433.601 1.224 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750022170 AKSCEAWBRINPEX-UBENKILGSA-N 436.488 1.323 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760154119 ANCHJVCMAMWOMR-GUDVDZBRSA-N 435.594 1.141 30 10 IDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760176416 KFKQWCGWESOPQH-QGZVFWFLSA-N 426.546 1.632 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1760190639 SRPLKMKUWLNTCD-LJQANCHMSA-N 439.545 1.096 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1760191213 CYQYCFWXEVTMFY-OALUTQOASA-N 448.593 1.582 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1cnn(C)n1 1760214504 RCHZBKAJHYDJAZ-UHFFFAOYSA-N 431.500 1.941 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760278706 DQIYXJKPEAVCFD-IBGZPJMESA-N 440.577 1.764 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760352557 RQRMAQSMAMDFFS-INIZCTEOSA-N 448.549 1.532 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CCOC)c1 1760464242 COQJRYWCXIKBKC-UHFFFAOYSA-N 437.552 1.966 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CS(C)(=O)=O)CC1)C1CC1 1760474322 SMXDVQZVDRUASR-CQSZACIVSA-N 428.580 1.160 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1760548551 JJOCUYRXOHNSKR-MRXNPFEDSA-N 433.582 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OC)C1 1760550600 CKIPXZZHFZQTQG-CYBMUJFWSA-N 444.355 1.862 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760552085 BNLVSJIPCJRBBL-NRFANRHFSA-N 445.545 1.271 30 10 IDEE CC(C)(C)c1nccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)n1 1760721516 MVAGXKIEZOKHAF-SJORKVTESA-N 438.536 1.678 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1csc(COC)n1 1764187015 BDBDARMAHYLWIN-OAHLLOKOSA-N 433.538 1.576 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)CC1 1765497090 GUDQBUMAVGNESD-QZTJIDSGSA-N 438.580 1.543 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1769096558 AVNPHDGJHWYGRW-HNNXBMFYSA-N 428.493 1.463 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1770976560 CLIPHZRKBVBQCC-CVDCTZTESA-N 438.532 1.805 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCS(=O)(=O)CC1 1771295141 GNVDSBVQSXNJMC-BXWFABGCSA-N 441.529 1.269 30 10 IDEE C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1849854274 QGCSZWJIRPAJBI-CQSZACIVSA-N 434.468 1.852 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)NCc3ccnc(C#N)c3)CC2=O)CC1 1852528475 PCJOSHQSIOXWGF-INIZCTEOSA-N 427.505 1.817 30 10 IDEE COc1ccc(Cn2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)nn2)cc1 1852685005 BMRBJIOTOXYBAS-UHFFFAOYSA-N 447.499 1.581 30 10 IDEE C[C@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853953443 ZSZVFQZRAZHDJD-AWEZNQCLSA-N 431.445 1.524 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCN1CCOCCC1=O 1854973808 KZPMMJVFBIVZHO-HNNXBMFYSA-N 432.908 1.328 30 10 IDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)ccc1F 1857487953 FXNGHHLACSCBSN-HNNXBMFYSA-N 429.473 1.997 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858336027 RLKMGXOGCZOKOP-QGZVFWFLSA-N 448.526 1.258 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H](N)CC(=O)OC)sc2c1 1865965603 DWWCRCXEOMALLD-CYBMUJFWSA-N 438.531 1.488 30 10 IDEE C=CCOc1ccccc1OCC(=O)NC[C@@H](O)CN(C)S(=O)(=O)c1cccs1 1868038009 IVHNNSRKIBBOCW-OAHLLOKOSA-N 440.543 1.490 30 10 IDEE CCOC(=O)CCN(C)C(=O)[C@H](C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868782822 LDOAHGZMGZCYHQ-RDJZCZTQSA-N 434.562 1.941 30 10 IDEE NC(=O)C1CCN(C(=O)[C@@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)CC1 1869929486 ICWHNCSAJFGXPC-SFHVURJKSA-N 426.498 1.190 30 10 IDEE CCCCCCCOc1cn(CCNC(C)=O)c(CN2CCN(CCO)CC2)cc1=O 1870414677 VVOOLBRAQQATSV-UHFFFAOYSA-N 436.597 1.444 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CO1 1900475435 UQTLIUPHQSZKHJ-LLVKDONJSA-N 425.316 1.723 30 10 IDEE C=CCN(CCC(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2213498301 KWXSXWZRZQZZQX-VYDXJSESSA-N 443.541 1.257 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2243387519 VUGKXNPYUVYNDL-IYBDPMFKSA-N 440.309 1.896 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)O1 2243715642 BLDIUMHLSPHJCE-SNVBAGLBSA-N 426.304 1.139 30 10 IDEE Cc1nc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2247835566 MNRPCVOPGJLTHP-GFCCVEGCSA-N 441.359 1.366 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247894071 BZPFVMHFWWHBBI-HOTGVXAUSA-N 438.355 1.930 30 10 IDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2255609152 DSZPBXQCESXRLB-UHFFFAOYSA-N 434.346 1.801 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2255611226 RXMJMAJFQDURDP-DZGCQCFKSA-N 434.346 1.845 30 10 IDEE C[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1NC(=O)C(F)(F)F 2255639550 GDPATLBRVCSJIU-PWSUYJOCSA-N 447.288 1.971 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2255651249 VLQGEBXUQJBFRH-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE COCCCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255766583 FQHIWNQXDPDNEJ-UHFFFAOYSA-N 449.382 1.947 30 10 IDEE CON(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C)C(=O)OC(C)(C)C 2255823945 YSAKWMHZOWDZSR-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2267158950 GCIKVGLUMLVLOL-UHFFFAOYSA-N 448.329 1.047 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267268892 AOWGAEOJACNIQK-IRXDYDNUSA-N 447.341 1.481 30 10 IDEE CN1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H](CNC(=O)C(F)(F)F)C1 2267286942 RZMDYOPTDHWKHF-LBPRGKRZSA-N 445.247 1.014 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267498723 LUDJNICJAPHJKD-SQWLQELKSA-N 446.357 1.705 30 10 IDEE C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267578997 MAFAZWCMSDZFQD-KBPBESRZSA-N 449.361 1.632 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267596919 MPZVNXPRYBSLGH-GXTWGEPZSA-N 443.275 1.996 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2312855070 STQNIAUZMCMEPN-AEGPPILISA-N 430.314 1.513 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2322316099 ZUJYVLUMULHXJS-UONOGXRCSA-N 437.321 1.984 30 10 IDEE COc1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1OC 2329054560 SZMKHXRHMAWRRS-OAHLLOKOSA-N 433.534 1.986 30 10 IDEE CC(=CC(=O)NCC(=O)Nc1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 2332115099 QYWPFHPUBURNBN-UHFFFAOYSA-N 426.498 1.967 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@H]2CN1C(=O)OC(C)(C)C 2337299721 VQPXONWJVDBUQP-RRFJBIMHSA-N 446.357 1.705 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 32490073 RSFKXGHEMPFDAI-HXUWFJFHSA-N 442.560 1.431 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cn2)C[C@H](C)O1 107863839 YQHKXLGKKORQBS-IRXDYDNUSA-N 442.541 1.798 30 10 IDEE COc1ccc(C)cc1N1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@@H]21 254410634 XBLGMKQQHJMQNP-DZGCQCFKSA-N 426.516 1.860 30 10 IDEE CCC[C@H](C)C(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 432512272 WBVDVUKWKOTOKZ-INIZCTEOSA-N 435.550 1.127 30 10 IDEE CCC(CC)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCOCC1 460755907 GBLZZEGTHFKYKL-OAQYLSRUSA-N 448.589 1.528 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 482564308 VRXNIYPAUHQVLJ-IFXJQAMLSA-N 444.488 1.281 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 532880396 HKHNXYHVHLZJOF-UHFFFAOYSA-N 446.598 1.173 30 10 IDEE C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C)n1cnc(C#N)n1 539710940 RAQXSCLUOAUOIZ-AWEZNQCLSA-N 431.522 1.590 30 10 IDEE C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 541776196 PFMKQMXQWXXPCA-CABCVRRESA-N 446.367 1.838 30 10 IDEE CC(C)C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 544831871 KWLSXOIMJDZQOJ-VAMGGRTRSA-N 435.528 1.968 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 549288583 XWZNFLRIOPWUGX-DLBZAZTESA-N 431.541 1.976 30 10 IDEE COc1cc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)ccc1C#N 572213363 SUDGPJKGGUZGSX-KRWDZBQOSA-N 434.452 1.773 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccc(OC)cc1)C1CC1 572410656 KGZSMVGEMNINNL-LJQANCHMSA-N 447.561 1.975 30 10 IDEE CCN(CC)S(=O)(=O)c1c(C)nn(CCS(=O)(=O)c2ccc(C#N)cn2)c1C 575477260 YBPWIRAPPKEGEI-UHFFFAOYSA-N 425.536 1.271 30 10 IDEE O=C(NC[C@@H]1CCCO1)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673750 RDNJQCFJEHPYCN-WHJHFZOHSA-N 434.452 1.930 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1C 589758744 HINIVPAADDHQSG-KRWDZBQOSA-N 439.537 1.188 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C#N)c2=O)o1 604002213 YWJKNWBFRIPRFD-UHFFFAOYSA-N 446.488 1.034 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nnc3n2CCC3)CC1 610799387 YUCJMZFCPXOIME-AWEZNQCLSA-N 428.518 1.169 30 10 IDEE COc1ccccc1CC(=O)N1CCC(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732699486 AEWKJNBQKZPCAP-FQEVSTJZSA-N 425.533 1.610 30 10 IDEE CCOc1ccc(F)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1N 741040643 IIERGZRIJFMALB-UHFFFAOYSA-N 431.424 1.480 30 10 IDEE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1F 749928755 GGIWJAXJBZVPHG-AWEZNQCLSA-N 430.527 1.337 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCN(c2ncccc2C#N)CC1 754919618 QRXSVFKTWHYPIQ-QGZVFWFLSA-N 442.520 1.118 30 10 IDEE C#C[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757475493 GVOKSIQWZCNFMF-VFNWGFHPSA-N 436.464 1.869 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C#N 763461270 WEPQVBRWFXEGTL-UHFFFAOYSA-N 431.521 1.384 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C)[C@@H]1CCS(=O)(=O)C1 774025011 YGVYNVJWCYIRJO-CQSZACIVSA-N 431.436 1.941 30 10 IDEE COc1cc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)ccc1C#N 812249811 TXPPGBXVPARPNV-HNNXBMFYSA-N 425.507 1.511 30 10 IDEE N#Cc1cccc(NC(=O)COC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)c1 915447291 CWFPQIAYRYSCEA-UHFFFAOYSA-N 438.259 1.764 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 916179717 SBIHIJAPCMDRHV-UHFFFAOYSA-N 435.527 1.849 30 10 IDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NCCc1ccc(F)cc1 1084370058 NGOPIMNQWJUUBF-UHFFFAOYSA-N 429.481 1.734 30 10 IDEE C=CCO[C@H]1CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1116557210 ZYVINQFPBFFJGX-KRWDZBQOSA-N 434.562 1.854 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Oc2c(C)nn(CCC#N)c2C)cc1 1134899248 IWJKFJRQFGKNQB-UHFFFAOYSA-N 433.490 1.598 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccnc2-n2ccnc2C)s1 1136358214 JNTYQFOIADXQII-UHFFFAOYSA-N 431.543 1.960 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 1137536849 APMRAVLIXKZJEY-SJORKVTESA-N 427.567 1.471 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cn(CC(=O)OC(C)(C)C)nn2)C1=O 1139684820 SLQNTYUCJOGPFG-FQEVSTJZSA-N 436.513 1.936 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c1 1152326915 CDLMGADXQQDUQH-HXUWFJFHSA-N 425.510 1.800 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCN(c4cnnc(O)c4Cl)C3)CC2)o1 1158889978 RMGOWACFGWDXFF-ZDUSSCGKSA-N 431.884 1.615 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4cccc(OCC(N)=O)c4)CC3)n[nH]2)cc1 1165558294 FIAONBOUVAETIB-UHFFFAOYSA-N 430.468 1.775 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2cncc(C#N)c2)CC1 1178373612 LWVWAKBZUMZTDQ-UHFFFAOYSA-N 442.497 1.457 30 10 IDEE Cc1nsc(N2CCN(S(=O)(=O)c3cccnc3OCC(F)F)CC2)c1C#N 1190877039 GWDOJAPZEIDMAS-UHFFFAOYSA-N 429.474 1.873 30 10 IDEE C=CCN([C@H](C)COC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1212477591 HNDAOXWTBJHAOO-MRXNPFEDSA-N 432.564 1.228 30 10 IDEE C#CCN(C)CCCNC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1251528319 JUXHIVBMTYWQAD-UHFFFAOYSA-N 426.521 1.528 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1286287564 FVMBTQNSXBXKQP-VFNWGFHPSA-N 425.514 1.501 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286349939 RBEMTUHYHGFPHV-INIZCTEOSA-N 432.550 1.843 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1286359906 MUWPFJZLIPCCAP-QFIPXVFZSA-N 432.569 1.927 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1noc(CC)n1 1286438262 SQVLIIQENITALT-UHFFFAOYSA-N 428.518 1.996 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286466072 WBCXAUBIEWUPAP-OALUTQOASA-N 429.544 1.978 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2OC)CC1 1286470733 BRFUSCOIWFIEEJ-UHFFFAOYSA-N 438.532 1.335 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286511706 NWBSDSIBZUGAOP-AWEZNQCLSA-N 446.558 1.277 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1286517779 VTDUWCOIJARTMJ-KYNGSXCRSA-N 437.591 1.850 30 10 IDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1)C1CC1 1286739542 HBZBFNMCCKTVLF-UHFFFAOYSA-N 430.534 1.283 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCOC2)cc1 1286794495 IPOLUVIYFSHGIL-WBVHZDCISA-N 435.550 1.727 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC(F)(F)F)C1 1286811593 CXSOLABURZZHMK-HNNXBMFYSA-N 441.458 1.600 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1288249219 PPACTUXTAADFRQ-UHFFFAOYSA-N 449.559 1.810 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1298926854 FCXAXXWUICOIOS-HUUCEWRRSA-N 446.577 1.847 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C 1299433842 QJSZSPXVCQTPCP-NYHFZMIOSA-N 437.504 1.572 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1C 1300471832 QUARFBVEJRBTAY-UHFFFAOYSA-N 432.576 1.802 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300515841 BLBASEXMYIFLSL-XUTLUUPISA-N 445.439 1.453 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300643033 GFHJWNAWYVCGPH-NRFANRHFSA-N 448.545 1.265 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(C=C)cc2)CC1 1300681804 BGMMLPDSNOJACJ-SFHVURJKSA-N 442.589 1.529 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300873195 IGRADGRBQUDIIQ-YESZJQIVSA-N 434.541 1.674 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1301565454 HPRWPSWXSMPQFZ-SFHVURJKSA-N 431.518 1.555 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1301609852 PIVLTGIXCPHDJA-QZTJIDSGSA-N 433.626 1.365 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1 1358876921 SZJJADBXPSZPRT-FUHWJXTLSA-N 447.561 1.459 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCC(=O)N1CCOCC1 1358899328 LGTGRWKZJPJJNP-KRWDZBQOSA-N 427.505 1.573 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358959142 CPRMEJJDPXNIJV-ADKRDUOOSA-N 446.598 1.791 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358960957 PEFIONOCQZCRII-LJQANCHMSA-N 439.545 1.562 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358963659 LWXISVAPVJTKHS-IEBWSBKVSA-N 429.546 1.437 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCNS(=O)(=O)CC)CC1 1359032555 SGAYQLCWDNAYHB-UHFFFAOYSA-N 444.605 1.592 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1359044275 AYYKUOIHUTYBNR-DFQSSKMNSA-N 429.565 1.689 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1359053558 QZBZZSYRVJRUCY-UHFFFAOYSA-N 429.546 1.615 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1359070021 CYKAAEVLUWKPAO-BBTUJRGHSA-N 433.578 1.431 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1359113121 AGANNAFLECJFQB-OAHLLOKOSA-N 436.582 1.935 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1359230820 GZVTYVSUTCCQTI-CYBMUJFWSA-N 430.538 1.652 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359331933 KSNNAWGPNDWGIV-UPJWGTAASA-N 435.472 1.465 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359333377 VYTGWTNDXTWIPD-SFHVURJKSA-N 439.626 1.769 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359493232 KSPXKMVMULEYFZ-FUHWJXTLSA-N 429.569 1.511 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1360481378 PSUIANNELKXPCA-HZPDHXFCSA-N 439.511 1.495 30 10 IDEE N#Cc1cn(CCC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)c(=O)nc1O 1452030436 NNSOFOAYCBBWGI-UHFFFAOYSA-N 449.158 1.846 30 10 IDEE N#C[C@@]12CN(C(=O)Cn3c(S)nnc3-c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1456227024 YTSZGSRMVMKGHM-SJCJKPOMSA-N 437.934 1.284 30 10 IDEE CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1472191757 LCWSTWBZJVDTEZ-ZGPJWRFFSA-N 437.562 1.666 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)COC1(C)C 1472191949 NWVZWXWZMUESSW-BXTJHSDWSA-N 441.550 1.535 30 10 IDEE C#CCOCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1475803879 XDIWQGYLIYRXQX-CALCHBBNSA-N 428.576 1.624 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1507519428 ZZLHNPMLYZTJEG-KGLIPLIRSA-N 433.534 1.902 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCO[C@H]2C)c1 1507549974 RMFXEHOWVCLEAJ-QMHKHESXSA-N 434.500 1.869 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507589655 YEIJOUWCVBNEOI-VQIMIIECSA-N 445.545 1.722 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507633743 VFQYELHDZWUGDX-CBGDNZLLSA-N 436.578 1.350 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)c(F)c2)CC1 1507723660 PQZXTYLBXBKQRG-MRXNPFEDSA-N 448.449 1.773 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(C)=O)CC1 1507734956 FMIVTIZVWUEVDH-UHFFFAOYSA-N 443.939 1.486 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCn2nc(C)nc2C1 1507791685 PYCQZSYUUJGQSR-ZFWWWQNUSA-N 438.330 1.831 30 10 IDEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507956022 YRCQJELCAAFXHS-UHFFFAOYSA-N 444.605 1.877 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCCC2)C1 1508097878 WHVKJQOSYNHLPU-BJLQDIEVSA-N 432.569 1.369 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508104746 NJZTWKKGKDIIEY-IRXDYDNUSA-N 445.545 1.466 30 10 IDEE C=CCSCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1508152224 JYVFVRFQZDVRHX-UHFFFAOYSA-N 440.595 1.961 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1513248058 XTKVIDZSAGIMEU-MOPGFXCFSA-N 447.561 1.610 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)cc1 1518333652 CQSPSIRODAMDDZ-SFHVURJKSA-N 426.477 1.121 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCSCC1 1519320581 QOOAPQHPKVUVBN-PKOBYXMFSA-N 449.625 1.227 30 10 IDEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2n1CCOC2 1537672408 KULPAOZZGYSLQH-UHFFFAOYSA-N 433.465 1.463 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1539251679 NCKOUUWGILPZRS-GOSISDBHSA-N 440.525 1.756 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)cc1 1539267430 ZVCVYNOFUQWGRR-LJQANCHMSA-N 426.542 1.894 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1539296638 SBYJVMTVGIDJNF-OALUTQOASA-N 434.610 1.616 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1539750794 CLRKLXKRNBYOAM-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540872533 RUWBHPRHAIQXFM-UHFFFAOYSA-N 440.523 1.805 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1540872749 ZNDOKSZAEZJAPX-AOMKIAJQSA-N 429.496 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1540900158 MPHHEGMOJDIDTI-OAHLLOKOSA-N 428.518 1.084 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1541803468 IOCSIYYSMBZOIM-MAUKXSAKSA-N 449.533 1.590 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 1542978071 GLKCUWLFWFIEOW-VZCXRCSSSA-N 427.411 1.895 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc[nH]c(=O)c4s3)CC2)cc1 1543120643 BVTPSFIZOHRCPQ-UHFFFAOYSA-N 428.495 1.608 30 10 IDEE Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543274501 YOFDYPKGDSCTPS-RAJOGRCSSA-N 441.467 1.695 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1547814579 QUDJVEHVHKNWPL-DXQAYGFFSA-N 443.508 1.397 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1547883772 KAGXFKVFUDOTAK-OAQYLSRUSA-N 428.493 1.406 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnccc1OC 1554393644 AXZHLMVMDCUHRK-MRXNPFEDSA-N 449.515 1.999 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1555650850 VURKMLBVZHAWLM-DYVFJYSZSA-N 432.447 1.811 30 10 IDEE CCOC(=O)C1=C(CN(CC#N)CCC(=O)OC)NC(=O)N[C@H]1c1ccc(Cl)cc1 1560080168 RUFTYEAXJAXKBE-SFHVURJKSA-N 434.880 1.900 30 10 IDEE C=CCOC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)C(=O)OC 1568154563 LSBGYNKQILPHCI-MSOLQXFVSA-N 431.489 1.823 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588049833 LSPGUXYXTBKELD-QGZVFWFLSA-N 432.550 1.001 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588074058 IAVLAGXOLAVDDC-IPMKNSEASA-N 449.621 1.877 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cnn2ccccc12)[C@@H]1CCS(=O)(=O)C1 1588075046 WBLILHGNNRVEMI-QGZVFWFLSA-N 428.518 1.137 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1588088965 DORFQUOQKGKBPX-DEOSSOPVSA-N 435.528 1.741 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1588229343 UQDMBHULVRTFJI-QGZVFWFLSA-N 426.498 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC(=O)N2)CC1 1588907275 AKELCGKNNDTEDP-GOSISDBHSA-N 436.516 1.198 30 10 IDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1589135119 SZEGSMAOBFJEEE-IEBWSBKVSA-N 449.621 1.858 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccc(OC)n2)CC1 1593817656 ICRBZOYLVLJNAO-HNNXBMFYSA-N 437.932 1.880 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1594753179 ZJKPPWDBLQNJHA-QGZVFWFLSA-N 436.582 1.371 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nnn(C)n2)C1 1595672747 CXKHCXPBUCIVHW-KRWDZBQOSA-N 437.508 1.500 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(CC)C1 1595838531 WBSLXVRCPFAMIU-ZWOKBUDYSA-N 442.582 1.608 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1597053941 WJNAXZNTOVYXQD-CYBMUJFWSA-N 429.336 1.954 30 10 IDEE COc1cc(C(C)=O)ccc1OCCCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607489007 NBWLIGOFPKILQS-UHFFFAOYSA-N 426.429 1.274 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1611620795 AAJYAZSYBQEIEW-IEBWSBKVSA-N 428.512 1.705 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 1617773436 DTWSBDWYBNSRQB-MOPGFXCFSA-N 428.489 1.686 30 10 IDEE NC(=O)C[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620365445 BJDPAGWTJAXIBK-APFMSCDFSA-N 441.536 1.554 30 10 IDEE N#Cc1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)nc2n1CCOC2 1623340093 FBEZDSHCPVDTHG-UHFFFAOYSA-N 433.465 1.851 30 10 IDEE CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C#N)CO 1624090839 MJWQHPNFIRAJJQ-TVQRCGJNSA-N 426.347 1.394 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 1633144036 KWQCGEAHNZWQTF-LJQANCHMSA-N 447.948 1.619 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1 1637600800 BEJQDBUKSXSXPL-QYZOEREBSA-N 449.573 1.423 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N3CC[C@@](O)(CC#N)C3)c2C(F)F)C1 1639946777 RSBMUHJYWIMBOA-BLVKFPJESA-N 440.451 1.888 30 10 IDEE C[C@H](CC(=O)N1CCc2c(cccc2C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1642230479 JBCOYLGYVFIWBV-CYBMUJFWSA-N 426.498 1.188 30 10 IDEE CON(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](C)C(=O)OC(C)(C)C 1643866388 BNTGVKDYZKILBA-BBRMVZONSA-N 430.461 1.883 30 10 IDEE C#CC[C@@]1(C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)CCCN1C(=O)OC(C)(C)C 1644709475 OBVCFLCELMCCMC-NRFANRHFSA-N 428.493 1.179 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1645087844 KZQYCFSNHULBKC-WBVHZDCISA-N 431.493 1.813 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)C1 1645270493 KOKOVRBBVGJRAI-LJQANCHMSA-N 433.574 1.700 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NOc1cccc(C#N)c1)n2C 1648727269 VCXHMPCUKCBTEV-UHFFFAOYSA-N 427.486 1.738 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(CCc3cnccn3)CC2)CCCN1C(=O)OC(C)(C)C 1650771158 UWJGTASEYDBKFI-HSZRJFAPSA-N 427.549 1.956 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811587 JKPNTUUWQRWNBO-SJORKVTESA-N 447.488 1.820 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)c1 1664596052 MVNCOTUABQEHRJ-IBGZPJMESA-N 430.482 1.900 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nn1 1682167032 LWAUPQFJMJRGOZ-UHFFFAOYSA-N 430.534 1.169 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689860601 DIBSCFUDYQYXAW-JKSUJKDBSA-N 444.561 1.222 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1689986818 XOYGNHUMGGUFQD-RBUKOAKNSA-N 430.530 1.377 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1690046169 ZJUNNMUVCWGCGP-ICSRJNTNSA-N 430.512 1.745 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(OC)CCOC1 1690077439 OODJCSYOBVJCNI-HTAPYJJXSA-N 449.552 1.852 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1690109217 KSUHGRTWQSPKET-UHFFFAOYSA-N 436.560 1.545 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690246418 UHOMDHOVVGMTOU-QXUSFIETSA-N 439.582 1.468 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690510288 ZCONBVCQUNXEOY-UHFFFAOYSA-N 436.520 1.443 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690668139 UPBSJWZEJCZDDB-UHFFFAOYSA-N 431.504 1.179 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690718861 BBSASYJONNOTML-IBGZPJMESA-N 443.573 1.919 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690726491 BVNKBRYFXQYFMH-INIZCTEOSA-N 435.575 1.342 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690971534 SJSBZSSUNAHCII-GOSISDBHSA-N 436.476 1.612 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1691204753 XCZJBSGPHNNBAQ-QZTJIDSGSA-N 435.532 1.836 30 10 IDEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1696561690 KFMPVEXPCJOLPL-KRWDZBQOSA-N 439.545 1.107 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1696915232 XQMIRCHAPJZJID-PBHICJAKSA-N 448.474 1.971 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)C[C@H]1O 1697064818 YMGBFZYMCNCPLQ-RTBURBONSA-N 426.521 1.517 30 10 IDEE COC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1697758140 WNLILLDSZOLQGM-SJORKVTESA-N 431.928 1.831 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1697929139 HUZLPXKQHNJMLS-OFNKIYASSA-N 449.515 1.972 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1698167746 JBGXEHQWROQOJR-WMZOPIPTSA-N 445.568 1.224 30 10 IDEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1698229972 ZBVPELNZZSAQOF-HXUWFJFHSA-N 426.521 1.991 30 10 IDEE O=C1CC[C@H](c2nnc(N3CCCCCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)N1 1698523954 YFFSCZQNZJYTNM-UDJKBAMHSA-N 427.509 1.526 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)ccc1OC 1705620951 LWELZINFZPQLPL-UHFFFAOYSA-N 427.505 1.666 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)c2cccc(O)c2)CC1 1705637944 RWQOCJUCCMICNG-UHFFFAOYSA-N 445.527 1.621 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn3ccccc23)CC1 1705644514 SUACBHWBBYBXDB-UHFFFAOYSA-N 448.531 1.078 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2nncn2CC)CC1 1705649093 KBWRRMHMKFYTIL-UHFFFAOYSA-N 436.495 1.710 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1705675931 GQRBBFOCGOYCSE-LJQANCHMSA-N 449.602 1.566 30 10 IDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705690186 NJJFZRDHUVZLIR-UHFFFAOYSA-N 437.342 1.066 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705704978 BESJCHMLVVSWEF-URVUXULASA-N 440.548 1.586 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705739704 NZDBCVUKUFLHPX-HZPDHXFCSA-N 444.561 1.577 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705794288 BQPNVFRAUJRJTR-INIZCTEOSA-N 438.598 1.521 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705898351 JCKFRHZBEUFBAK-IBGZPJMESA-N 437.504 1.358 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1705907937 CHMLEGBUBDRFEE-JOCHJYFZSA-N 427.505 1.785 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1705930489 OJYSJLMPXJGWTF-HNNXBMFYSA-N 437.570 1.577 30 10 IDEE CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)SC 1708677742 AGWDHHSSTBIUNS-HUUCEWRRSA-N 427.596 1.831 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC[C@H]1C 1712071194 IYQVHNCJPBEOFP-QAPCUYQASA-N 432.550 1.617 30 10 IDEE COCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712616617 CERACSUKPVVVAW-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1712884376 KRBRVCCZSWTWBF-VXGBXAGGSA-N 436.398 1.009 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1722316947 OWEKNEBNUJMYMK-SFHVURJKSA-N 433.534 1.580 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1722455366 SSUUCYPSRUATAN-UHFFFAOYSA-N 436.559 1.564 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1722492876 FBECXEKFEWMJHD-OALUTQOASA-N 430.553 1.554 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722558887 BXSWNUBRBIZGEL-OWLYRPNTSA-N 425.961 1.912 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1722624418 CQRQLODVQGUELR-UHFFFAOYSA-N 428.541 1.655 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccco2)C1 1722690132 FYZABWUZEGLJQB-MRXNPFEDSA-N 437.460 1.399 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1740689091 ZNNHHOHFJGLWKW-LJQANCHMSA-N 446.573 1.995 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1740693434 YEQSBLDFSPRCDK-OFNKIYASSA-N 432.613 1.662 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nncn2CC)CC1 1740704720 SFMCNRFINPTKKL-UHFFFAOYSA-N 433.520 1.274 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1740953186 YATGJQTVBGUWCQ-LSDHHAIUSA-N 444.467 1.500 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740960077 KQYDNNPYDRQQRT-IEBWSBKVSA-N 427.505 1.671 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1740966268 QZHNOKYDULFJFP-CDMIOBSGSA-N 433.553 1.495 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC2(C)C)C1 1740981912 RDIYXKXLSLXPHL-BRWVUGGUSA-N 439.582 1.438 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCN1CCOCC1 1748106498 OQYPUMVBPCZIGL-SFHVURJKSA-N 439.564 1.747 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1748672522 UTXMUSSTKVYRAG-HUUCEWRRSA-N 439.582 1.941 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1748756694 RTOQJLASRSFMCD-SIKLNZKXSA-N 435.576 1.666 30 10 IDEE C#CCN(c1nnc(C)n1CC1(c2ccccc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748804626 JNYAZMTUJYVHDS-FQEVSTJZSA-N 428.558 1.962 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748819656 RBUCBGKDAXVRCT-FQEVSTJZSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1748824897 LZKSYNMREDIHFB-LJQANCHMSA-N 435.532 1.355 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccncc2Cl)CC1 1748972718 OXQQTHWNNKHSCS-UHFFFAOYSA-N 436.907 1.777 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1 1749073142 IIAZDJUDLOIHFF-AUSIDOKSSA-N 428.581 1.894 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC 1749344170 GTYLEVLOVDCBDF-AEFFLSMTSA-N 449.533 1.013 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1749599282 AFZBHZJBMRCDNG-KRWDZBQOSA-N 444.561 1.869 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(C)C)C1 1749655235 FNWFCZRHVCDWJC-GOSISDBHSA-N 447.561 1.512 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC2(CCOCC2)C1 1749678166 YBGYFLONSHSHAH-UHFFFAOYSA-N 427.553 1.839 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1749680710 ORAZFMBWGHYGBF-JOCHJYFZSA-N 443.504 1.164 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nnn(C)n2)C1 1749697688 MMKCSLGVQQHRBK-YOEHRIQHSA-N 428.472 1.910 30 10 IDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Oc1ccccc1F 1751141290 BTSIFRCVKORXAN-OWCLPIDISA-N 449.508 1.516 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1760182217 CFCGCBHIWMJSRB-KKSFZXQISA-N 444.513 1.974 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1760248607 OGYOUQWXFDGFFZ-SFHVURJKSA-N 434.504 1.457 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC(OCC)C1 1760461129 KUYFRWYUAUQAOT-UHFFFAOYSA-N 434.566 1.790 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760520382 LRNHEVOJVOVDDM-MRXNPFEDSA-N 443.552 1.937 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760527047 XKDHMMVBJKFSHV-PKOBYXMFSA-N 435.532 1.704 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)CCOC1 1761273384 BFFSBBHPXSMJGH-APWZRJJASA-N 440.570 1.093 30 10 IDEE CC(C)(C)n1ncnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1761548133 GQTKJGAUCMOSMB-QFIPXVFZSA-N 433.520 1.913 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1761565521 ABEWNVZKQWIHGW-UHFFFAOYSA-N 448.549 1.283 30 10 IDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1)OC 1764281489 DVYMTVVBJZAWMS-IAGOWNOFSA-N 426.477 1.795 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1768903353 KOOQAVATWCGPBV-GOSISDBHSA-N 433.534 1.493 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 1849645763 ZQWIYLNWSPQUFN-AWEZNQCLSA-N 433.921 1.622 30 10 IDEE C=CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1 1851462862 AWJILHCPZVYWNS-UHFFFAOYSA-N 448.372 1.958 30 10 IDEE N#Cc1ccc(F)c(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)c1F 1851770979 PXBCNCNZZLEEKX-UHFFFAOYSA-N 435.452 2.000 30 10 IDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1853000011 HWZUOXRDHJZLOC-ZWKOTPCHSA-N 442.516 1.919 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)COc2cncc(Cl)n2)C1=O 1854083064 YSGPUWPGIDWSLF-GJZGRUSLSA-N 435.912 1.135 30 10 IDEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1857016900 NGDPPRQQABGZKC-HOTGVXAUSA-N 431.514 1.247 30 10 IDEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110876 MLPDNZLCNIUFCX-UHFFFAOYSA-N 449.358 1.480 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1cccc(NC(C)=O)c1 1871034323 JJKMVUSHRFWPIF-UHFFFAOYSA-N 440.500 1.842 30 10 IDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873561588 RATBWIUXNRKWLO-IYBDPMFKSA-N 426.521 1.535 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124513568 CBVQLDODMMSNRT-LSDHHAIUSA-N 448.329 1.644 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 2247963655 YSMLSVSFHKJIQI-WCQYABFASA-N 440.293 1.893 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CC(OCc2ccccc2)C1 2255842874 YNXUBXUJKPAWER-UHFFFAOYSA-N 426.326 1.934 30 10 IDEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256067048 KJDCBMJNFICSML-UHFFFAOYSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2259345787 LNLMEYCEGADACJ-DZGCQCFKSA-N 432.330 1.809 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267188536 NTICHCLYEOVQRG-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@H]2C=CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267193073 ZLSUEZDCOQZBGE-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 2267460662 MIFGTHYMYQKPPT-IIAWOOMASA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267479989 SUSCRUCJGXLJTR-WMLDXEAASA-N 447.341 1.338 30 10 IDEE C=C[C@@]1(C)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270533315 CVBPRCOIUBTICM-LPHOPBHVSA-N 426.491 1.061 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)nc1B1OC(C)(C)C(C)(C)O1 2270592923 UVRRJEYYLZUAFV-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE CON(CCC(=O)O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2284409496 JWRLLJWJIGIHNF-UHFFFAOYSA-N 425.721 1.728 30 10 IDEE C[C@@H](C#CC(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 2302374721 KECHMNUWZTZVPE-LHSJRXKWSA-N 439.509 1.874 30 10 IDEE COc1nc(O[C@@H](CNC(=O)OC(C)(C)C)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 2317548417 BMEOKTXNRBWRRQ-ZDUSSCGKSA-N 438.286 1.746 30 10 IDEE C#Cc1cnn(C2CN(S(=O)(=O)C[C@](C)(F)CN3C(=O)c4ccccc4C3=O)C2)c1 2364984477 ABWVWOCRRFDVGQ-HXUWFJFHSA-N 430.461 1.075 30 10 IDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(N)nnc1SCC#N 40173330 YMXGFVFUNCYHHS-ZDUSSCGKSA-N 449.562 1.850 30 10 IDEE C=CCOc1ccccc1OCC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 170523689 HHHMUICIGVIJTP-UHFFFAOYSA-N 434.514 1.871 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)CC1 436911010 TUWLUSNZKBPVFH-SJLPKXTDSA-N 438.536 1.681 30 10 IDEE Cc1nsc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)c1C#N 461188012 CSEYRURVUKCANY-VYDXJSESSA-N 434.591 1.698 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cn1 461748237 UCCOKAATYXMYOM-HXUWFJFHSA-N 441.451 1.553 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1S(=O)(=O)NCC#N 467820197 CXPFIWUGANRYDA-QFBILLFUSA-N 440.525 1.716 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C 467830654 CUZNQLDDFDPIPC-RZQQEMMASA-N 440.525 1.531 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C(C)(C)C)cn1 479815983 REUKJNZWRFUBJF-RXVVDRJESA-N 435.532 1.724 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3CCN(Cc4ccccc4)CC3)C2=O)cc1 489194101 HOPGTWLAGVQOPG-HSZRJFAPSA-N 431.540 1.593 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 499666347 HJQAZAXYWANRJK-SFHVURJKSA-N 433.468 1.426 30 10 IDEE N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 539097855 RCNMRQKHVJGGPP-WOJBJXKFSA-N 437.521 1.877 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1[C@@H](C)c1ccccc1 539598823 UCLVFFXUVAJYPT-HNNXBMFYSA-N 434.521 1.480 30 10 IDEE CNC(=O)CCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 555496196 ZJFRLVNYZNYULP-GOSISDBHSA-N 438.532 1.975 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCN(CC)CC1 579531214 WOWLSIAVFCJNTP-UHFFFAOYSA-N 446.577 1.294 30 10 IDEE CC(C)C[C@@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 608825239 JUAZODBZVKKWJG-AWEZNQCLSA-N 430.324 1.857 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1 609488699 KTRSNXYIALKCPE-INIZCTEOSA-N 428.518 1.825 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CCS(=O)(=O)C1 729331328 BNWUYKFJIRHZST-ZIAGYGMSSA-N 439.331 1.451 30 10 IDEE C#CCN(C(=O)COc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 729332202 VVLNBSKXWOZXLA-CYBMUJFWSA-N 433.267 1.319 30 10 IDEE C#CCN(C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCS(=O)(=O)C1 729334026 GPEVXMOUYUJFFW-JKSUJKDBSA-N 439.331 1.451 30 10 IDEE C=CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn3ccccc23)c1=O 729669809 BPCNMRYPQCTHFL-UHFFFAOYSA-N 428.477 1.280 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732698357 YAQUMNQOULDQRA-BUVGWWEQSA-N 430.534 1.703 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3OC)CC2)c1 734452285 IKTNYXBUGBHDKM-UHFFFAOYSA-N 431.489 1.708 30 10 IDEE C[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 734607092 JXKCGARGTDXVDE-CQSZACIVSA-N 444.469 1.158 30 10 IDEE Cn1cc(N2CCC[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 741724292 TWLLKOMGBKFCRI-HNNXBMFYSA-N 430.534 1.024 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 751925098 PYUGUTJWJKKANC-IAQYHMDHSA-N 441.504 1.099 30 10 IDEE COC(=O)c1cccc(CN(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C#N 756570325 BHVXCRJULITPNV-UHFFFAOYSA-N 430.505 1.856 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758952153 UFKHUSZOFQANKD-UHFFFAOYSA-N 442.493 1.166 30 10 IDEE O=C(NC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1 782720145 ADDRPPKSJCHQBH-SKQREZPOSA-N 440.504 1.899 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C#N 782980486 MOLZIHDYNWQZSY-AWEZNQCLSA-N 441.435 1.694 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 786364708 GOLOTZHWYCVCQM-OGMZMROGSA-N 445.516 1.401 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)n1 790108663 AGIRZXFIIWOWEU-HXUWFJFHSA-N 425.468 1.409 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)ccc1OC 800706902 JJVJCGGMHGOLIJ-GVDBMIGSSA-N 438.550 1.893 30 10 IDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC)[C@@H]1CCS(=O)(=O)C1 812026828 XLRKWPMEVHNQGZ-MRXNPFEDSA-N 435.937 1.508 30 10 IDEE C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCSc2ccccc21 853665363 JABMZURZDIURPQ-AWEZNQCLSA-N 445.522 1.907 30 10 IDEE CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cn1 1084516170 BJYZUQZHYMHRKM-UHFFFAOYSA-N 428.478 1.969 30 10 IDEE C#CCC[C@H](O)CNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1138991493 ORBWVSJIEPKTMC-NJAFHUGGSA-N 442.375 1.933 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)CC1 1152967278 DFRBXMRATCXQOM-UHFFFAOYSA-N 440.525 1.473 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 1160002441 UKODCFOAAUHCMM-DLVCFXQMSA-N 431.489 1.552 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2nnc3c(=O)[nH]ccn23)CC1 1193032412 CLHYGFWBEOWOLJ-OAHLLOKOSA-N 428.294 1.563 30 10 IDEE COc1ccc(NC(=O)CN2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCCCC1 1198210079 CZFAKPNZJAJWCT-FQEVSTJZSA-N 436.534 1.423 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1286436356 FOVHZCRAJQPPTL-UHFFFAOYSA-N 429.344 1.435 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286505424 ZLKWYMCYNVKVTI-PMPSAXMXSA-N 448.593 1.945 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1286510636 YWYWKDWRAZCDGE-HNNXBMFYSA-N 430.509 1.576 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1286609283 ZPDFJGPMSLWFKW-DLBZAZTESA-N 435.554 1.206 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 1286700587 PBELTOHSZIKTGB-ZWKOTPCHSA-N 441.598 1.830 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC)C1CC1 1286738172 RKOZUGLSHWQJFN-MRXNPFEDSA-N 427.571 1.317 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286789068 OJZGLQYGTSCHSW-FQEVSTJZSA-N 442.539 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286819126 AXLZSEIVEUKAIW-UHFFFAOYSA-N 441.561 1.740 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)s1 1293852682 JKLQCJVBCZUWOR-HOTGVXAUSA-N 428.576 1.533 30 10 IDEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1298714805 QFSDHJHXYQPMTE-UZLBHIALSA-N 438.573 1.887 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCN(C)Cc1ccncc1 1298845484 CHGSRORVSCMZKX-KRWDZBQOSA-N 429.546 1.601 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1300488096 ATQQKINCIKGCCS-KRWDZBQOSA-N 443.573 1.652 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1300496463 RNNYQFDPPWQKIG-IRXDYDNUSA-N 449.964 1.896 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300622288 UQMPSPXMDZKNRC-YESZJQIVSA-N 428.516 1.035 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1300650260 RYRAWDDIVMLRCY-UHFFFAOYSA-N 448.549 1.225 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1300671676 MFPIPCZREZWVBX-SFHVURJKSA-N 443.573 1.588 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cccn2)CC1 1300767674 DNANUKKCUGVNFK-UHFFFAOYSA-N 427.578 1.880 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301505980 DEABIXISIDDTMQ-UHFFFAOYSA-N 430.472 1.101 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1 1301589164 OHETYDCSZUNTOE-UHFFFAOYSA-N 425.599 1.949 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1302426717 COCLRWWPFLTJBV-SFHVURJKSA-N 442.545 1.615 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1302487329 POWPLXUOBRKSCY-INIZCTEOSA-N 430.534 1.107 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CCO1 1303530561 FJOORMABHZWBFK-WOJBJXKFSA-N 427.505 1.862 30 10 IDEE Cc1ccc(C(=O)N2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1304256779 YSTDCNIXRZWUOJ-QZQOTICOSA-N 449.515 1.384 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1350467838 LXVOPKACHXGHAG-INIZCTEOSA-N 429.926 1.770 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1358889617 DYZHKQZIJBUSFW-HOTGVXAUSA-N 434.541 1.571 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358941175 AIHOFHNHRQIQOS-OAQYLSRUSA-N 427.530 1.429 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1358953709 GTSAJQATYGJJLZ-UHFFFAOYSA-N 425.518 1.860 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358961423 YVDKJPNKDMHYGT-QGZVFWFLSA-N 443.533 1.153 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1358976641 MASVOKPRJVGYGP-UHFFFAOYSA-N 443.511 1.274 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCCC 1359015314 PJTVRDIWAPNYMP-UHFFFAOYSA-N 426.496 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)C(C)C)CC1 1359047290 ZRGCGOWLXCOWMS-SFHVURJKSA-N 430.553 1.037 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1359097026 KGWKOLRGLJIYGY-NQIIRXRSSA-N 440.548 1.925 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359141451 HLNHVOSVHMWQJL-STQMWFEESA-N 426.930 1.936 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359208617 PTBRIMKPGNNJQT-ZWKOTPCHSA-N 439.630 1.071 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1359213011 GFXLIAZFUAXFIW-UHFFFAOYSA-N 446.537 1.285 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCN1CCC 1359240682 VJMIRIPAPNRCFL-ROUUACIJSA-N 440.614 1.498 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1359306153 XVHUSLGLKUBXHV-HOTGVXAUSA-N 445.524 1.381 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359334588 KRCBEXDAXFOWAS-RTBURBONSA-N 443.573 1.379 30 10 IDEE CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359657201 CZOOHXGWLBJGGP-LAUBAEHRSA-N 433.532 1.313 30 10 IDEE C#CC[C@]1(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCCN1C(=O)OC(C)(C)C 1437083528 NSQFYOGODLPWAM-VQTJNVASSA-N 426.535 1.196 30 10 IDEE CCO/C=C/[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1450336766 FBBFBRKPPIJULO-YCABEKBOSA-N 435.424 1.452 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)cc1 1454116319 KEAKELVYUGRPCW-NRFANRHFSA-N 440.569 1.144 30 10 IDEE COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1455819005 UNCTYGPOSGFZOD-GOSISDBHSA-N 433.461 1.532 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1469589581 BSRSNSHVHGUULY-BKGUAONASA-N 440.884 1.164 30 10 IDEE COc1ccc(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Cl)c1OC 1470293349 WRUCRYJNDDTDOT-UHFFFAOYSA-N 433.852 1.300 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1471521165 DTGPDQXFZRGYSZ-HXUWFJFHSA-N 432.542 1.809 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCO[C@](C)(C#N)C3)cc2)C[C@@H](C)O1 1473838003 QFWULKLXSGTAIR-GQIGUUNPSA-N 436.534 1.037 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1502208263 KWHSRLUBRJIMLE-UHFFFAOYSA-N 428.562 1.950 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1503828166 GBTWVQGQEOIFRG-FQEVSTJZSA-N 441.492 1.738 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1504850361 DPNNTMWAQKKJIU-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1507533367 KCNJEHADRUZQCA-SZMVWBNQSA-N 426.521 1.662 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507589249 VLEXGSNRSOCZSM-NVXWUHKLSA-N 447.565 1.168 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1507627029 HYXVLFFBLVZFOH-SFHVURJKSA-N 444.557 1.886 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2cncn2)nc1 1507659374 SWQJLZQZTNPUHP-UHFFFAOYSA-N 429.488 1.001 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1507675426 DKBBINCBHSYGET-UHFFFAOYSA-N 441.919 1.832 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2([S@@](C)=O)CC2)CC1 1507736675 POWFQTQWAGCQIN-WJOKGBTCSA-N 443.548 1.961 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1507752610 CRDKLNFVZGODKV-RXVVDRJESA-N 430.578 1.890 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1507801159 RNJITOARWWQLCR-RXVVDRJESA-N 440.548 1.925 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507846870 AJHCLHVRWUEVTD-QGZVFWFLSA-N 439.582 1.397 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1507852722 CSVYKFGWCCDGIG-DZGCQCFKSA-N 443.961 1.435 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1508092562 RHDOVYOZVONDIY-WMZOPIPTSA-N 432.569 1.461 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1508421609 BWYCTHHGZGLKOK-IIDMSEBBSA-N 442.611 1.493 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1519373980 LOBACOPVHYHXGE-GHTZIAJQSA-N 429.546 1.926 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCS1(=O)=O 1539021452 IYAYSRDNLGPBBF-INIZCTEOSA-N 427.534 1.010 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1539317671 FMPMLVHBAAPNAX-NRFANRHFSA-N 434.544 1.681 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539524565 INMVVGNKAXXANA-QGZVFWFLSA-N 434.587 1.889 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCN(C(C)=O)CC2)CC1 1539873974 ICONASMWJSOMSY-SFHVURJKSA-N 434.585 1.569 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1540870458 NVSUSMOLMOUQSS-SQNIBIBYSA-N 448.568 1.189 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1540898935 YXBZPFTWOCCUJQ-UHFFFAOYSA-N 437.953 1.803 30 10 IDEE Cc1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1c(Cl)cccc1Cl 1558805009 BLPVSRMRORQQKP-UHFFFAOYSA-N 446.254 1.714 30 10 IDEE N#Cc1cc(S(=O)(=O)NCC2(N3CCOCC3)CCOCC2)ccc1Br 1561635596 BLMVNLREVZLADA-UHFFFAOYSA-N 444.351 1.480 30 10 IDEE CS(=O)(=O)NCc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1565864759 CYCJHDVXRVHIJV-UHFFFAOYSA-N 425.463 1.424 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1587524202 DLNIVDQJOSWRTP-BZUAXINKSA-N 439.509 1.917 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1587702247 RCVQUTVWZNVZPQ-UHFFFAOYSA-N 449.494 1.985 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1587765469 GYEIMQNAAVDPKW-VXKWHMMOSA-N 444.624 1.817 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588050622 UAKNSRPGGOXAEX-KRWDZBQOSA-N 444.561 1.192 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1588054412 NPWBGEQKEIWOCV-MJGOQNOKSA-N 430.530 1.900 30 10 IDEE C#CCN(c1nnc(CCCc2ccccc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1588069134 HSJKCGKCDGRJKN-LJQANCHMSA-N 443.573 1.216 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2COCCO2)CC1 1588791328 SLGCJOLGEYILQT-IBGZPJMESA-N 441.532 1.523 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCc2nccnc2C)CC1 1588848695 LQJSTCFGRYJUPU-UHFFFAOYSA-N 431.544 1.974 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1588876709 GGUJSGQPOXAJLP-JOCHJYFZSA-N 438.576 1.471 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OCC 1589370523 AFDVUHWVHVQCRZ-MRVPVSSYSA-N 425.326 1.786 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(F)c1 1595550653 GPUFHQUAAGUQFZ-SJLPKXTDSA-N 447.536 1.963 30 10 IDEE CN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1617749990 KVBWVOZKGZMKOM-SFHVURJKSA-N 448.549 1.893 30 10 IDEE CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1617954591 VXUVEGDIOPEYNS-SFHVURJKSA-N 434.562 1.594 30 10 IDEE N#C[C@]12CN(C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1618171783 MENAAGAHAFKICR-GHTZIAJQSA-N 444.534 1.671 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C(C)C)N1CCOCC1 1620110991 HOAIVNJXQZEMCX-NMLBUPMWSA-N 448.568 1.088 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCN(c4ccccc4C#N)CC3)=NO2)C1 1626423033 WSOWCTLQRLLEIQ-UHFFFAOYSA-N 425.489 1.973 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)CC1 1632966154 JIHAQMRRALZFQI-FQEVSTJZSA-N 444.598 1.175 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C 1633903826 HQFNLAVVALGFAU-WMZOPIPTSA-N 434.562 1.327 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1636007980 DAUIMOOINBXBDU-OPAMFIHVSA-N 428.489 1.399 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3O)C[C@H]1CS(=O)(=O)C2 1636512923 WEBUJPIJHUVEDC-MGPLVRAMSA-N 447.391 1.513 30 10 IDEE C=CCCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 1638395084 MMYTWKSBTXMWLC-HOTGVXAUSA-N 426.539 1.441 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)n(Cc2ccco2)c1C 1644597477 YBOSRPSAXCULER-INIZCTEOSA-N 434.518 1.038 30 10 IDEE COCc1ccc([C@@H]2COCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)o1 1645042849 HFJUBNPBUGUGRG-INIZCTEOSA-N 433.486 1.455 30 10 IDEE COc1nc(N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)ncc1Br 1657479025 HGGNEXFMKUBXKB-OAHLLOKOSA-N 448.321 1.681 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)n1 1668983196 LDJFZESUZYBFAY-UHFFFAOYSA-N 436.559 1.320 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 1682748879 OQKFNEVXQWPHON-MRXNPFEDSA-N 431.928 1.996 30 10 IDEE N#Cc1ccc(C2=CCN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)cc1 1684009836 XWYWILGNOUYVEN-UHFFFAOYSA-N 431.496 1.790 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1689851847 WJBWTLJGLWJIFI-DOTOQJQBSA-N 444.561 1.780 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)=O)CC1 1689881099 GFSMDFWVBIIZMF-UHFFFAOYSA-N 433.520 1.829 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689987837 DADAVAFBXPBULM-GOSISDBHSA-N 439.545 1.365 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1690055618 YISPGMKOLUTLGK-NRFANRHFSA-N 446.504 1.009 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1690132432 QELXQBHLTHYDAJ-UHFFFAOYSA-N 430.516 1.574 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCSC2)CC1 1690137854 KLZAULWINHQEIS-DLBZAZTESA-N 435.594 1.721 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(OC)nc2)CC1 1690375447 LGRSXBDBPTWBQH-QGZVFWFLSA-N 448.549 1.219 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNS(=O)(=O)CC 1690524076 ZCFUDSCBQFTAFJ-UHFFFAOYSA-N 445.549 1.144 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)NC)CC1 1690674046 MYZBCXXLSVNJEO-UHFFFAOYSA-N 440.548 1.337 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](N3CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1690677428 WSORLXUEFFBVGS-AVRDEDQJSA-N 432.569 1.297 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690715279 HIAJEJKHYXFHIR-CRAIPNDOSA-N 430.596 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC2CCOCC2)CC1 1690722935 BIEQTTXXVBLOLK-UHFFFAOYSA-N 437.610 1.695 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1692501667 KVVUDLNWJVUKCU-GDBMZVCRSA-N 429.500 1.638 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1692734145 ATOZZCMBFWOMSF-SFHVURJKSA-N 429.569 1.499 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1694608326 ACBSGOBCJMKNIR-CQSZACIVSA-N 437.508 1.874 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1696913565 GSAWAFMPGZSQIG-OYHNWAKOSA-N 439.520 1.025 30 10 IDEE CS(=O)(=O)CCCCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698302488 LEPBRMNZKKEQKK-UHFFFAOYSA-N 443.577 1.964 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1705595771 FYPFIDVZWBVGRT-QHCPKHFHSA-N 432.484 1.862 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1705627200 YOECZEHUMZJMGT-JOCHJYFZSA-N 447.543 1.895 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN(C)S(=O)(=O)CC)CC1 1705641356 BYRDRJSUJYEBCG-UHFFFAOYSA-N 436.626 1.438 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCC(C)CC2)CC1 1705648723 XEAYJFNSYIMYHU-OAQYLSRUSA-N 442.608 1.870 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705657037 QNEZYQUPRBANFP-SFHVURJKSA-N 445.545 1.280 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](OC)C1 1705932405 SRMPQHYDRREBBJ-IBGZPJMESA-N 442.545 1.957 30 10 IDEE COc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)c1 1711911251 SDHALTLQZCAOIK-UHFFFAOYSA-N 433.472 1.577 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C[C@H]1OC 1712681648 DFOISGRRWJVIJD-OYRHEFFESA-N 440.548 1.514 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1712702931 KCKMNOSTIJGSSD-UHFFFAOYSA-N 432.550 1.451 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1722296665 TYERUDYRIRTLEP-SCLHNIASSA-N 429.546 1.782 30 10 IDEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722325629 AYFAAGOQDJTERI-CVEARBPZSA-N 440.479 1.118 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722368352 QFXNXXFVGAHEKW-QRVBRYPASA-N 437.610 1.877 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722427405 JAKGOXOVPGJUBZ-AZUAARDMSA-N 440.548 1.884 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC(=O)NC(C)C)CC1 1722442186 ULCXIXUMFOGIIC-UHFFFAOYSA-N 442.589 1.859 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1722706622 VKFBUKXEGAFNJN-QGZVFWFLSA-N 432.569 1.592 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1722723447 YSXYOSJDLZWCDD-OALUTQOASA-N 438.532 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722728170 UWERGXPSJVRQRY-ROUUACIJSA-N 448.593 1.890 30 10 IDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC#N 1723666502 DBHLGUNNRASXNR-YJBOKZPZSA-N 448.549 1.857 30 10 IDEE CCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1728454322 JWDXOKWSDDATHZ-HTXNQAPBSA-N 427.509 1.277 30 10 IDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)cc1 1728877989 PLCWOCHCYZAGFJ-PWIZWCRZSA-N 443.504 1.961 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1730121790 CICLCITXFFTWLU-NQIIRXRSSA-N 440.548 1.521 30 10 IDEE COCCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1730913344 FVTZTCVRVPHKHB-YJBOKZPZSA-N 429.518 1.065 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2CCC(=O)N2)c1 1740563552 UXZHQRVMBXJYEY-LJQANCHMSA-N 443.511 1.983 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC[C@@H]2COCCO2)c1 1740564097 ANROQELCOLGAPR-UYAOXDASSA-N 439.516 1.644 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1740626460 KSGAEBBECKIFAP-OALUTQOASA-N 436.578 1.616 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1740704657 VTVMIJXFKRUFTK-UHFFFAOYSA-N 428.500 1.564 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740722181 FGANLAVTVARQFU-OAHLLOKOSA-N 438.550 1.986 30 10 IDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCS1(=O)=O 1740776010 NNYZBLRNXRAWIG-UHFFFAOYSA-N 443.577 1.955 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740791535 KDJABLDSXGKPLK-UHFFFAOYSA-N 441.536 1.507 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740991842 GKXGJVYLCNSVJE-RBUKOAKNSA-N 439.626 1.624 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1741657655 BHQPUSVOGVXRGQ-KRWDZBQOSA-N 440.405 1.910 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)cs1 1742590678 ASFHOWWLVJCCFR-OALUTQOASA-N 445.593 1.719 30 10 IDEE CN(C)CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747597471 ZALATGHHXWIBSK-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 1748765786 UHUZIVVKYJSGHT-UHFFFAOYSA-N 433.415 1.962 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1748805488 SHXVSKRGYBHEEC-WMZOPIPTSA-N 448.545 1.383 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1748891768 FSCAMGZBWPHZRQ-YLJYHZDGSA-N 440.525 1.688 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749131784 VORWPPRYSGUJOS-SQNIBIBYSA-N 439.582 1.235 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749664294 JNRGZYZVTGXPLF-QGZVFWFLSA-N 425.537 1.328 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1749727483 VRFRKRBYLOIVTE-GOSISDBHSA-N 447.561 1.659 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749729985 WGLJHADHGVNEAL-KRWDZBQOSA-N 441.561 1.743 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1760188658 PZZUVQZASNBYOS-IKJBURDNSA-N 449.577 1.061 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1760199131 PWZOHLIQTRNYRP-INIZCTEOSA-N 428.514 1.470 30 10 IDEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760239449 JGNCYSZGIAIOSI-HXUWFJFHSA-N 434.587 1.888 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1760261815 CTJPFYSSMMVOBU-FDDCHVKYSA-N 425.533 1.173 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1760262702 XDIQIPGEQIZDLQ-LJQANCHMSA-N 447.509 1.903 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCCCC2)CC1 1760268833 QGISBGMISLSFAO-LJQANCHMSA-N 441.580 1.071 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1760270446 XRXCFWSCKVOHMV-IEBWSBKVSA-N 444.580 1.443 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760356974 AWPCAXADIIJOBP-IBGZPJMESA-N 434.585 1.411 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1760422067 IBFFCNGUECKFTJ-ULQDDVLXSA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1760521747 BYBBUJUMMDFEGR-IRXDYDNUSA-N 447.536 1.615 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1760523249 RBAQAYJISHBBGI-GDBMZVCRSA-N 442.524 1.387 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)C)CC1 1760549143 XHMKNNAUUUFVDM-UHFFFAOYSA-N 438.598 1.035 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 1760557324 HUETZRVIABKMGD-UHFFFAOYSA-N 445.589 1.723 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)CCOC1 1761291659 MRDSSJXMPLTUFR-UGKGYDQZSA-N 449.552 1.633 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1762700621 PVCDWUNRLYTPQL-OPAMFIHVSA-N 440.504 1.201 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccn2C)n1CCC(=O)N(C)C 1763043623 HAPLLCQTMUDFQE-INIZCTEOSA-N 448.535 1.139 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(CC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1765113441 RCINHQMYEPGYMH-FMQUCBEESA-N 426.525 1.763 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1771079787 AEGGWAWMKKOLAD-JOCHJYFZSA-N 426.521 1.391 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CCCCN3C(=O)c3cccnc3)CC2)nc1 1851772085 FFXAGHLFFOEPNZ-OAQYLSRUSA-N 448.527 1.708 30 10 IDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)cc1 1852803511 YVZAOFGLOISTRE-HNNXBMFYSA-N 433.472 1.701 30 10 IDEE C=CCC1(S(=O)(=O)N(Cc2cnnn2C)[C@H]2CCN(Cc3c(C)noc3C)C2)CC1 1853408735 HOHFABUTKYGTJW-KRWDZBQOSA-N 434.566 1.935 30 10 IDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1C 1853961509 VTAQOCNFZDWORY-UHFFFAOYSA-N 427.482 1.478 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CC(Cn4cc(Cl)cn4)C3)CCC2=O)CC1=O 1857334757 IGIAOXWWLQYGAP-RDJZCZTQSA-N 433.940 1.268 30 10 IDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(NC(C)=O)cc1 1870961864 JHOOWGNUANJAKI-UHFFFAOYSA-N 428.489 1.746 30 10 IDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)ccc21 1889365458 NREHOEZOAFFGJA-INIZCTEOSA-N 428.533 1.973 30 10 IDEE COc1ccccc1OCC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)noc1C 1890049278 BRQNCVOOIYRYDX-QGZVFWFLSA-N 447.513 1.652 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)CC2)CC1 1891202058 DXFZHDCIQXRWNC-UHFFFAOYSA-N 436.459 1.745 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1984993555 YSTLXPZZRKLFPF-GJZGRUSLSA-N 425.526 1.780 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)[C@@H]2CNC(=O)CN2C(=O)OC(C)(C)C)CC1 2137177337 LKHCJIZHGDBOJR-INIZCTEOSA-N 449.357 1.902 30 10 IDEE Cc1ncc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1C#N 2174778762 AUDWSHKNUCXPKX-GOSISDBHSA-N 430.486 1.578 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243371741 INQSYBGEQORIHR-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248485100 GEDQMJIHBHRIEC-QJPTWQEYSA-N 436.343 1.453 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1CNC(=O)OC(C)(C)C 2255627142 OIYNJIGMAHWDBJ-UONOGXRCSA-N 434.346 1.942 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256622074 BWLNBSHGRLGXGL-CABCVRRESA-N 433.314 1.859 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1C(=O)OC(C)(C)C 2267221420 VITOSCJYVXXXMV-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@@]2(NC(=O)OC(C)(C)C)C1 2267270427 LIPBGTUAJRPSSO-YEJXKQKISA-N 447.345 1.244 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2267498823 WOMJEEONSGWTQT-GASCZTMLSA-N 446.357 1.943 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267503800 JMFRMDDGJWTVPF-FVQBIDKESA-N 446.357 1.847 30 10 IDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)O 2269088742 VANSBBRYUAOYSZ-KDOFPFPSSA-N 443.309 1.508 30 10 IDEE C#CCCN(C1CCOCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286025918 JXTKJGUFBPZITO-GOSISDBHSA-N 438.502 1.200 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1nnc(CNC(=O)OC(C)(C)C)o1 2337295925 FSDFCCZPKHOMAR-UHFFFAOYSA-N 448.289 1.379 30 10 IDEE Cc1nc(Br)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1C 2337364072 YOMZRVUGGLMLIC-QWHCGFSZSA-N 427.347 1.936 30 10 IDEE C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nnc1[C@H]1CCS(=O)(=O)C1 12785357 VZIBPJLTESCTLI-JSGCOSHPSA-N 449.558 1.584 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 26733198 DEDIBEOVQSOWSR-INIZCTEOSA-N 434.456 1.935 30 10 IDEE CC1(C)O[C@@H]2O[C@H](COS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 34720926 UKCMSQOXSADUBO-JKJDWNRSSA-N 445.446 1.697 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 446632293 AOAQGWQCJCNRNO-ACBHZAAOSA-N 427.505 1.676 30 10 IDEE Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OC(F)F 464543885 MGQRDMVIQZCLMQ-UHFFFAOYSA-N 425.417 1.040 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 477313541 GTFOMBQFBKUWJH-KRWDZBQOSA-N 427.501 1.318 30 10 IDEE COc1cnccc1N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 478459750 NYUOPDWIWBVNMU-SFHVURJKSA-N 448.483 1.516 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 480996984 GWEFYUDZNFIIIN-HZPDHXFCSA-N 434.518 1.475 30 10 IDEE C[C@H](C(=O)NC1CCCC1)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 507723760 IKQVCCSDZWWHJB-GOSISDBHSA-N 449.559 1.747 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C)CC1 508702916 ZYVADKPONJSMPJ-UHFFFAOYSA-N 449.353 1.677 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OCCC(=O)NC)CC1 508885487 QCJYDJKJIYNKFQ-UHFFFAOYSA-N 447.561 1.656 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](Cc2ccccc2)C1 508965564 WQINEVQIHLADLH-OALUTQOASA-N 431.562 1.866 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C[C@H]1CCCO1 512725337 MFWYOIHDJBQRNO-OAHLLOKOSA-N 447.919 1.663 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1C#N 514428968 VTAXTEOFJONKSM-KDOFPFPSSA-N 426.525 1.494 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)O)c1 547881582 LSNQISYHAKZMTH-UHFFFAOYSA-N 431.470 1.560 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)CC2)c1C#N 574790695 FVZLJJCOFRMCOE-INIZCTEOSA-N 446.515 1.312 30 10 IDEE CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 585715086 CHDXLKPUQHGXHP-UHFFFAOYSA-N 437.519 1.767 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(F)c1 610025417 OYYHOTNNOGTCQH-UHFFFAOYSA-N 425.468 1.356 30 10 IDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 619780039 ALHCTGNJJZKTQY-BRWVUGGUSA-N 437.949 1.938 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br 732651101 VPJPWRXORIAPRV-CQSZACIVSA-N 441.351 1.512 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCN1C1CC1 732673605 AOUCDXXUKJJGEB-OALUTQOASA-N 447.561 1.026 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CCN1C1CC1 734843526 NALZVTQCUBVICF-CYBMUJFWSA-N 439.335 1.695 30 10 IDEE COC(=O)[C@]1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCN(Cc2ccccc2)C1 755776037 FFBMGFWPKGJACW-AINLKENTSA-N 440.500 1.227 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)CCC2 771547775 KCHYUIHVJOJSES-KRWDZBQOSA-N 439.545 1.542 30 10 IDEE COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 774666072 TYGMZJXEPXCICE-LEWJYISDSA-N 427.549 1.790 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 782558426 NEFOSRFTZMGINN-BXDHAIISSA-N 435.506 1.206 30 10 IDEE Cc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)cc1F 782671866 DYQBETSSHPLYDX-UHFFFAOYSA-N 444.289 1.869 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1 788815193 MRJOAKCRUODHDU-INIZCTEOSA-N 430.530 1.516 30 10 IDEE C[C@@H](C(=O)OCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)n1cnc(C#N)n1 798741796 CYZPCFUUDJSSDD-ZDUSSCGKSA-N 434.859 1.391 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@](C)(C#N)CC(C)C)ccc2F)CC1 800916663 HFPVSEHSELZDFG-HXUWFJFHSA-N 438.525 1.737 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OC 805085516 KMDHFJQFKFZOJG-JTQLQIEISA-N 431.410 1.003 30 10 IDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc3c(c2)OCO3)n1 807939852 SBLIMWPXGKDGKI-MRXNPFEDSA-N 428.474 1.344 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 809893724 SSBAGWCPUCFAHT-DOTOQJQBSA-N 434.541 1.830 30 10 IDEE C#CCCN1CCN(C(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC1 810203260 YPQPNIHHUQOGKN-GNWGRXFHSA-N 443.547 1.633 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 857837773 PJQNZHOXRWHIBY-SJORKVTESA-N 439.534 1.824 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(-c3ccncc3)nn2C)c1 1125489709 XIIFGVXSYRRIOE-UHFFFAOYSA-N 429.480 1.969 30 10 IDEE COC(=O)C1(O)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1137586628 XUDHKVRZPOVPEF-SFHVURJKSA-N 443.500 1.919 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)c1 1141530611 XPCSQNMHDAGVIB-UHFFFAOYSA-N 427.482 1.341 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1 1151412165 ULCSQGLSQNCORX-UUOWRZLLSA-N 445.479 1.396 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1153313575 ORYPSLBQJMXBHZ-MRXNPFEDSA-N 425.507 1.747 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C)C[C@@H](NC(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1154386183 BEHVAIBKULHYRQ-AOMKIAJQSA-N 446.552 1.711 30 10 IDEE N#Cc1ccccc1OC[C@H](O)CN1CCN(CCNC(=O)c2ccccc2F)CC1 1167467194 GOOPIXAPYRTUFH-LJQANCHMSA-N 426.492 1.485 30 10 IDEE N#Cc1ccc(OC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c(I)c1 1270724443 SDUBSUBCKMAZHB-NFFDBFGFSA-N 425.178 1.789 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4ccc(C#N)cn4)CC3)[C@@H]2C1 1279756616 KQEGKIAUXBSDDX-MSOLQXFVSA-N 441.488 1.998 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1286276354 WVFSHTOMSPDQLV-UONOGXRCSA-N 434.522 1.573 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1cnn(-c2ccccc2)c1 1286414681 CMSREBRHGVVXAM-UHFFFAOYSA-N 427.512 1.902 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)CCOC)CC1 1286473878 UINZFUNUILNXRM-NRFANRHFSA-N 428.493 1.396 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC)CC1 1286494326 LYKMFUVQLNIUCS-IEBWSBKVSA-N 444.580 1.299 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286608034 XEQUHOXRWQZCNF-FQEVSTJZSA-N 441.580 1.619 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1 1286760580 OTCMTVPJCJJEHU-HSZRJFAPSA-N 425.533 1.901 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1286792257 SCGACSZWJZRXJW-KRWDZBQOSA-N 442.520 1.273 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1C[C@H](F)C1 1288861877 FPYGNMOCBQYXBT-KCYZZUKISA-N 439.561 1.203 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCCCO)C1 1288976573 AWNRYCULTUXQGA-CRAIPNDOSA-N 427.596 1.426 30 10 IDEE CC1(C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1289039164 VSOPJKKGUHKLGE-ZFDMEJTGSA-N 432.550 1.640 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C 1291278983 GBADZPLMMBSUDO-WHSLLNHNSA-N 445.545 1.371 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2Cc2nncn2CC)c1 1300333111 VVXPGLHBEOKKGV-UHFFFAOYSA-N 443.515 2.000 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCOCC1 1300606484 MFMCADZMDAWDPT-UHFFFAOYSA-N 447.561 1.196 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CCO1 1301360912 MSPWYPWCLBXBBE-IBGZPJMESA-N 436.472 1.578 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)CC1 1302924609 PVOVJYRNLMDGLO-UHFFFAOYSA-N 433.452 1.475 30 10 IDEE COC[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1315796871 CPGJFBVEWCGNPH-SFHVURJKSA-N 436.520 1.538 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1316350061 YIXNVAWJFIOQHL-KRWDZBQOSA-N 426.506 1.294 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCOCCCO)c1 1316529738 CXBKTDDYDFCFMW-HXUWFJFHSA-N 440.548 1.374 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nc1Cl 1348988138 UADFFRUOODYGJM-UHFFFAOYSA-N 448.917 1.758 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1358966941 ABNHPYGVYWMKNS-ZWKOTPCHSA-N 435.594 1.631 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CCCO 1358984404 SYJWMMVATZNDQG-LJQANCHMSA-N 435.532 1.235 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1358985896 JQKJZXCMHCVXTC-HSZRJFAPSA-N 436.516 1.932 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCN(C)C1 1359073750 CTWXPRIMTDJJHV-PKTZIBPZSA-N 425.533 1.924 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)OC)CC1 1359294176 MYCZWRNUERFSLM-UHFFFAOYSA-N 428.449 1.545 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1359301528 AWWYBWXJCJKEPM-UHFFFAOYSA-N 446.939 1.120 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359302224 ZUIVNCFDHFOPQC-FQEVSTJZSA-N 438.576 1.638 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359335436 LMZQYLBKPILYLD-ZWOKBUDYSA-N 442.582 1.533 30 10 IDEE O=C(NCC#CCO)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1448438671 OQNHYQFSQGXBRC-UHFFFAOYSA-N 448.491 1.799 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 1449065502 YRWKTPBBRNCVJD-UHFFFAOYSA-N 435.550 1.316 30 10 IDEE Cn1nc(I)cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1456277194 SASICORLZIMTHN-AWEZNQCLSA-N 435.269 1.875 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 1461389096 OPJKSNDLODOPFB-JOCHJYFZSA-N 429.473 1.266 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 1461389102 OPJKSNDLODOPFB-QFIPXVFZSA-N 429.473 1.266 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1478685834 LYXGDXMZSJYYLM-UHFFFAOYSA-N 436.516 1.357 30 10 IDEE N#CC1(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCCCC1 1478781920 YTHOJKOHDNJMOA-UHFFFAOYSA-N 434.518 1.604 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1479059486 BNAONDXUGYTWRH-SFHVURJKSA-N 430.530 1.679 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1503403095 LHKRUCHTXXTCHW-HXUWFJFHSA-N 435.536 1.828 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CC[C@@H]1C 1504500886 IRTOKSOOGZNEQQ-PXNSSMCTSA-N 438.532 1.927 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1507538549 NGLLWZFFANGVAT-IEBWSBKVSA-N 447.561 1.538 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOc1ccccc1 1507538554 NGLLWZFFANGVAT-PKOBYXMFSA-N 447.561 1.538 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507564800 WYIXTEJRFVUCBT-IPMKNSEASA-N 435.594 1.141 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1507571956 SFTINALNHZMHML-UHFFFAOYSA-N 426.546 1.951 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCCC2)nc1 1507702471 LDPAXGAXFDBXRZ-UHFFFAOYSA-N 439.564 1.936 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CN2CCCC2)CC1 1507716243 OYHKKFXEVGFAPO-UHFFFAOYSA-N 427.597 1.391 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 1507716997 XOVOMZZSWZJVFV-WOJBJXKFSA-N 443.640 1.928 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccccc2F)CC1 1507726123 FKVBRDOTEGHXGA-SFHVURJKSA-N 440.523 1.762 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1507803805 HCGYVEIPLCLCJB-ALYAQQCSSA-N 427.571 1.483 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507868224 FVUDMBTYTCJLBN-MRXNPFEDSA-N 447.952 1.526 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1507884380 HOMKRTDLTWXJSX-MOPGFXCFSA-N 436.626 1.363 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1507915471 VTPZCAHRMBPMKS-OAHLLOKOSA-N 426.587 1.549 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1507925185 APOJPUHDOFZDMW-HNNXBMFYSA-N 426.587 1.692 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1508152795 REIZQAGFMRSYGS-ZIAGYGMSSA-N 431.584 1.197 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1508420767 CITPSCLGMLIBNQ-GDBMZVCRSA-N 438.458 1.984 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1510815626 OWGQHAADDNAIRE-XUTLUUPISA-N 439.520 1.903 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1515917760 SSENQRBLBZHIMD-RLBWVDARSA-N 439.520 1.903 30 10 IDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cs1 1531108996 HQNOALQDDFBZNX-UHFFFAOYSA-N 432.483 1.097 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1539015418 PYZULJYJRYFYLM-WMZOPIPTSA-N 428.562 1.682 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@@H]1C 1539242235 QHWFFITWGOSHLS-KUHUBIRLSA-N 432.322 1.659 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCOCC1 1539350115 ATYHYUHTNYICMV-UHFFFAOYSA-N 445.545 1.090 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 1539462401 FWGNSTLIRLDZPR-PNCHPQGNSA-N 428.581 1.430 30 10 IDEE C=C(Br)Cn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539599299 CTAMONJGMCARCG-UHFFFAOYSA-N 425.375 1.884 30 10 IDEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1539931915 SJSPMQREFFMTDF-JOCHJYFZSA-N 435.569 1.828 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1540169301 CADDKVMREIHCJQ-QGZVFWFLSA-N 436.538 1.443 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1540170420 NVFDDNLHHKQNHZ-JKSUJKDBSA-N 427.596 1.685 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1540871393 KUAFOZOMQDGXNB-HOTGVXAUSA-N 431.566 1.424 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1541804845 DQYUMIFUROKKDL-KRWDZBQOSA-N 436.520 1.504 30 10 IDEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N(CCC#N)CCN2CCOCC2)n1 1544337232 PHRQTOUCKRWOOV-UHFFFAOYSA-N 434.541 1.486 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)C[C@H]1O 1554546328 YWZFISYGNOJVGJ-RTBURBONSA-N 435.488 1.464 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CCOCCCO)cc1 1555989177 BDUKPCHGXHRMDZ-VQTJNVASSA-N 427.505 1.600 30 10 IDEE COC[C@@]1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)OCCc2ccccc21 1556849960 KKEGNCUFNTVTTR-OAQYLSRUSA-N 432.473 1.967 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N(C)C 1587620647 IWRJPIKNNJQNQT-OAHLLOKOSA-N 428.518 1.949 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1587631999 HPQRODDLUBJVGX-DLBZAZTESA-N 443.556 1.927 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCNC(=O)C2CC2)c1 1587697356 OQLZCRZOJGQYTN-LJQANCHMSA-N 436.516 1.712 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1588065382 XUVDPHWDSKFQAK-SFHVURJKSA-N 446.577 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)noc1C 1588124230 HEYBNNHCKNMMOH-UHFFFAOYSA-N 427.468 1.918 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1589047965 OVESZUBAKKBGBN-UHFFFAOYSA-N 436.607 1.890 30 10 IDEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2CCS(=O)(=O)NC)CC1 1594133709 CEMNOIRLMKYHFE-UHFFFAOYSA-N 435.550 1.961 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc2c1OCO2 1594963859 YLKZMHWVCYQXMD-INIZCTEOSA-N 435.506 1.010 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1595778067 VLSJUCAJNLVOLW-HZPDHXFCSA-N 442.549 1.614 30 10 IDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595850449 NQVRMAVRNYOXPP-OAHLLOKOSA-N 449.602 1.935 30 10 IDEE Cn1cc(N2C[C@@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CCC2=O)cn1 1611650514 AGYGZNIJANIIMO-AWEZNQCLSA-N 425.445 1.067 30 10 IDEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)c1 1612239669 FYOFSRLZTXLZBY-UHFFFAOYSA-N 447.561 1.967 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1612997237 IBWHQARKYDWIFH-LPHOPBHVSA-N 428.562 1.924 30 10 IDEE CCOCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1616757911 FFGNTNHDGXWMPC-UHFFFAOYSA-N 428.493 1.403 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)n1 1618758796 JURWAHXFUGKLNU-UHFFFAOYSA-N 434.537 1.643 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1(C)C 1619517269 LLPYXGHEIFUUKJ-LAUBAEHRSA-N 445.545 1.228 30 10 IDEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1620356560 BNNMWSLAJMBCLC-ZBBYCGENSA-N 425.493 1.266 30 10 IDEE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)Cn1cc(C#N)c(O)nc1=O 1624711178 CHFSXIVAAXYMEY-UHFFFAOYSA-N 427.461 1.374 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1627102908 QZPMMVKROVGYBX-UHFFFAOYSA-N 435.322 1.896 30 10 IDEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1627605160 PHSSMNPIEXMFAK-GOSISDBHSA-N 444.513 1.301 30 10 IDEE COc1cccc(-n2cc(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)nn2)c1 1627620115 GJXCOEFZHKFYPV-ZDUSSCGKSA-N 426.458 1.453 30 10 IDEE N#Cc1cccc(C2(NC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CCOCC2)c1 1633173378 VYFWSMQHRGCIJU-LJQANCHMSA-N 438.459 1.493 30 10 IDEE C[C@@H](CC(=O)NCc1ncc(C(F)(F)F)cn1)/N=C1/NS(=O)(=O)c2ccccc21 1635949396 CUJQAHRCWDJSCJ-JTQLQIEISA-N 427.408 1.629 30 10 IDEE C#CC[C@@H](NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1)C(=O)OC 1637697556 VXZFDTUBAWPQFK-QGZVFWFLSA-N 440.313 1.387 30 10 IDEE O=C1N[C@@H]2CS[C@H](CCCCC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)[C@H]2N1 1639054173 ABJVZWIHYIWHIB-NUJGCVRESA-N 446.529 1.616 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3cccc(F)c3F)c3c2CCC3)CC1 1640201985 UBEXOFJVTRQZJG-UHFFFAOYSA-N 427.455 1.146 30 10 IDEE Cc1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1S(=O)(=O)NCC#N 1642003637 JOIYOZAFQNUTPW-UHFFFAOYSA-N 429.546 1.786 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2CC)CC1 1644285389 OAHGKWJATHJBTO-UHFFFAOYSA-N 436.921 1.783 30 10 IDEE C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1656779053 QLRDKAPQOAOUFI-AWEZNQCLSA-N 444.463 1.582 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)CC1 1661621130 FPBUDOQDUXALJR-INIZCTEOSA-N 431.489 1.377 30 10 IDEE C#CCOc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 1668519506 LRYHZQZTQKRPPP-MSOLQXFVSA-N 449.529 1.949 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCCNc2nccc(C(F)(F)F)n2)n1 1677838899 SGCAJFRCHNERCR-UHFFFAOYSA-N 425.415 1.595 30 10 IDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1689923102 LAVQTELMAIIKFS-SFHVURJKSA-N 446.577 1.328 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1689986321 NGYMQXYVFYSCFH-YESZJQIVSA-N 448.520 1.251 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689986437 PZQISVHQUAWGMQ-LJQANCHMSA-N 442.589 1.841 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1690142625 RNMHIEGPOJVUNX-QGZVFWFLSA-N 445.527 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC)nc2OC)CC1 1690146023 DDXBGYUDJDZALY-UHFFFAOYSA-N 440.548 1.903 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690179203 QKSWCAIRUCFBPX-HXUWFJFHSA-N 426.590 1.789 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2c(ccnc2N(C)C)C1 1690728932 BKXVMTFNZBUMSV-UHFFFAOYSA-N 434.566 1.439 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCS(=O)(=O)C2)CCOC1 1692586651 NHMDPJHGBKVJFY-ABSDTBQOSA-N 439.582 1.882 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694038751 RDNNKHKADQQLDD-KKEDAOPRSA-N 429.525 1.280 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1697788421 YGICVLCXDYQUGY-RDJZCZTQSA-N 446.483 1.990 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(C)COCCO2)CC1 1705634354 SHRIHILUWUYUBO-HSZRJFAPSA-N 441.532 1.523 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705663884 GLDUCBJDKWCUMR-GOSISDBHSA-N 442.593 1.546 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705699195 DIUUBGATCQJRDW-WCIQWLHISA-N 433.553 1.842 30 10 IDEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705723223 GGHWDXBRPNDUNJ-UHFFFAOYSA-N 428.537 1.414 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705735165 KQALAPPYORSEAE-ROUUACIJSA-N 446.552 1.531 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705763522 XGAIFFVULDJZGA-CABCVRRESA-N 431.584 1.012 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](COC(C)C)C1 1705896312 IOGOCNIIWPJRAJ-SFHVURJKSA-N 444.492 1.786 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCOC2(CCOCC2)C1 1705904841 ABGCXSMVRXXEGN-UHFFFAOYSA-N 429.496 1.696 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1705939321 CTNGWMXCKYASBM-UHFFFAOYSA-N 440.577 1.929 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1705940002 SGNSFNGPWBNQKG-HNNXBMFYSA-N 428.628 1.482 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1706229602 OENKPDXVXLHPBG-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712055378 FUVFTGXJQCLTIO-YGCDDZCOSA-N 437.504 1.790 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1712391085 ZQVQWIIWTRGKNK-QFIPXVFZSA-N 437.504 1.668 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1722343919 QGSIDIWVLLQTTA-ICFOKQHNSA-N 444.293 1.632 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722369723 FJZOKHIZOYUQOL-RBUKOAKNSA-N 446.577 1.742 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1722402111 HEGJOUOQXQWCDB-KBPBESRZSA-N 436.607 1.977 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)CC1 1722431536 MLKMBKOITXFOND-INIZCTEOSA-N 434.541 1.139 30 10 IDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCS(=O)(=O)CC1 1722516097 TVYLNFHPHLIHAD-UHFFFAOYSA-N 436.582 1.482 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722517313 JHYDUWUPXBQXHD-SJORKVTESA-N 439.582 1.078 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722628008 QNHKIBJQVHZPJU-HZPDHXFCSA-N 445.524 1.906 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1722862978 GDYDNHGMRCDYFY-IKGGRYGDSA-N 445.593 1.935 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1723650551 DVBWHOBFJUIISL-QFIPXVFZSA-N 440.504 1.249 30 10 IDEE CCCNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1728196260 NPEMEMWHZOUKAB-HQRMLTQVSA-N 445.568 1.095 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1OCCC1(C)C 1729543195 XQYVZHLUUCVEKP-KRWDZBQOSA-N 432.550 1.617 30 10 IDEE COCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730638944 RLGSNOYEHXZCEX-UTKZUKDTSA-N 428.493 1.452 30 10 IDEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)n1 1730650829 VEYSIVVMARKRAZ-MRXNPFEDSA-N 436.476 1.304 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1730805171 OFSCSVUQIYBIQQ-LJQANCHMSA-N 444.511 1.780 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740627355 GQIDLODDYMSNSA-RDJZCZTQSA-N 436.509 1.658 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1740700334 OWHCPQPCTWHKFD-KRWDZBQOSA-N 447.536 1.186 30 10 IDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNS(C)(=O)=O 1740773784 DJSGCXQZGYUMRV-UHFFFAOYSA-N 448.597 1.404 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740847309 DUZUUYCJADRUMA-MRXNPFEDSA-N 438.598 1.597 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740951514 HRWQGNVJWXIQRA-QGZVFWFLSA-N 439.520 1.481 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740964866 WYCUAKSVRQWZRF-OAQYLSRUSA-N 444.923 1.672 30 10 IDEE CN(Cc1ncnn1CC(F)F)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1747805098 MIEBNYIHKAEYDA-UHFFFAOYSA-N 445.434 1.406 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748002316 UGVGHUIIUOAWBH-YUMLTWSLSA-N 430.509 1.314 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CN(CC(C)C)CCO1 1748656001 JPHCABVSTVOVFL-WIYYLYMNSA-N 449.563 1.736 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc2ccccc2s1 1748791498 UGAJIANMBRZNSF-QGZVFWFLSA-N 445.570 1.943 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748812644 YOLUZMBOVTYDLW-NUJGCVRESA-N 432.550 1.423 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1748816233 YAVFTLBDHZHCMX-GOSISDBHSA-N 440.504 1.858 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCn1c(O)nc2ccccc21 1748968805 LXTUDHDAVHGHQH-UHFFFAOYSA-N 448.531 1.981 30 10 IDEE COC1CCN(C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1749185584 DAOWZHHDTGMJDT-HXUWFJFHSA-N 439.564 1.882 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)CC1 1749342073 VEPJLYKXYVBBHI-HXUWFJFHSA-N 429.613 1.905 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749420829 FBKNKFMFFNCHCU-GOSISDBHSA-N 426.569 1.778 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1749493694 JWRKWAIBFCSOFQ-MRXNPFEDSA-N 425.530 1.872 30 10 IDEE COCCN(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1749759943 QJHFEONIUAIUME-VXPUYCOJSA-N 428.468 1.617 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1O 1750335258 AMTIGZOPRZWRTA-SUMDDJOVSA-N 444.561 1.305 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCN2CCCO)c1 1750380871 ACVOJCQZJQLIRX-UXHICEINSA-N 437.548 1.365 30 10 IDEE Cc1c(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1751362190 ZRWPNNNOXHNNCC-SFHVURJKSA-N 449.519 1.863 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760144681 YJCPLTATJYBLDG-UHFFFAOYSA-N 439.520 1.371 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760145817 VXEHBTXCUANXMS-HOTGVXAUSA-N 438.598 1.433 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCOCC2)CC1 1760262868 FMFPPJDDBVMFCA-KRWDZBQOSA-N 429.594 1.110 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2OCCC2(C)C)CC1 1760265050 MDGUWUIJUKAYBY-GOSISDBHSA-N 442.564 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)c(F)c2)CC1 1760273444 UVLJLZLNTFIVTQ-UHFFFAOYSA-N 429.496 1.976 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760518132 JSMKGZMWJLUMKQ-OAHLLOKOSA-N 431.928 1.791 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760527406 VSTRQHPRFJXJME-HNNXBMFYSA-N 442.486 1.818 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1760556220 XBNSECZGOFIOJE-AVRDEDQJSA-N 446.573 1.789 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760556656 LHRBGROZNQKTES-LJQANCHMSA-N 436.626 1.048 30 10 IDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@H]1CCOC1 1767932225 KJMDUTDEVHLGAY-IBGZPJMESA-N 441.536 1.603 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1767959453 HIOUDFPVYSIPPE-PMACEKPBSA-N 426.521 1.444 30 10 IDEE CO[C@@H](CCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(F)(F)F 1768052064 FERUWYKXPZGESO-HNNXBMFYSA-N 426.447 1.794 30 10 IDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1768107861 UZZVYKVMIGJBIE-GOSISDBHSA-N 432.550 1.713 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1769419162 FIENWTZTHDSHFU-ROUUACIJSA-N 443.529 1.783 30 10 IDEE COCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1769735350 VMOWNIRTORVDGV-UHFFFAOYSA-N 435.536 1.770 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1769774748 AESMEYJKRMBZBB-KRWDZBQOSA-N 425.537 1.452 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCS(C)(=O)=O 1770204207 FLFOUKFEZNRGCS-TXPKVOOTSA-N 425.555 1.567 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2ccco2)C1 1770360286 AAMMOLKPIMCOJL-KRWDZBQOSA-N 426.502 1.953 30 10 IDEE N#Cc1cccc([C@H]2CN(c3nnc(-c4cnccn4)n3CCOCCCO)CCO2)c1 1770735925 SAPWTEPQTZUQBO-HXUWFJFHSA-N 435.488 1.584 30 10 IDEE CC(C)[C@H](C(=O)N=C1C[C@H](C)N(c2ccc(Cl)cn2)N1)N1CCS(=O)(=O)CC1 1851738899 BHRAMWRNRUIPLW-SUMWQHHRSA-N 427.958 1.518 30 10 IDEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ncc(Br)cc1C#N 1853135089 MFQAMVBANSWHGB-UHFFFAOYSA-N 433.266 1.741 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3c4c(nn3CCC#N)CCC4)cc2)CC1 1853293972 FQGMUBDTAAEUID-UHFFFAOYSA-N 434.500 1.842 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C(=O)C2)c(F)c1 1854302251 ROPWWPACPJVTCI-UHFFFAOYSA-N 449.891 1.995 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)cc1 1854660202 RSCFUZGEEDNPMB-OAHLLOKOSA-N 427.482 1.558 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@H]2c2ccc(OC)cc2)C(=O)C1 1855296049 OXYRDRQVKIKGAL-LEWJYISDSA-N 429.542 1.700 30 10 IDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2cn3ccsc3n2)C1)[C@@H]1CCN(C)C1=O 1857042758 DZTWOTVDWGVZGJ-NVXWUHKLSA-N 429.546 1.422 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@H]2C)cc1C 1857223759 OYEWFYBEPNMEQK-OAHLLOKOSA-N 427.482 1.937 30 10 IDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1F 1870106640 CZUUDDNVHIESRA-GFCCVEGCSA-N 448.414 1.969 30 10 IDEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc2nc[nH]c2c1)N1C(=O)c2ccccc2C1=O 1870143096 WMVCRVMEZLPWFN-LLVKDONJSA-N 426.396 1.638 30 10 IDEE COc1cc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)cc(OC)c1OC 1870152511 WKPSLFVFEYNVOD-UHFFFAOYSA-N 436.428 1.533 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1OC 1874432823 ZFJGAHFLAKPLRI-LSHDLFTRSA-N 434.522 1.432 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1984993556 YSTLXPZZRKLFPF-HUUCEWRRSA-N 425.526 1.780 30 10 IDEE CN(Cc1sccc1C#CCCO)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2100766460 CNMOEOZHRLSPQT-UHFFFAOYSA-N 432.523 1.540 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c(N)c1 2162567812 KEMWXIXHGOSSKL-ZWKOTPCHSA-N 430.486 1.503 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCN1C1CC1 2171817394 KRGJVFLHAHUGBQ-QGZVFWFLSA-N 430.530 1.455 30 10 IDEE C#CCN(Cc1ccccc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2241758474 UZZYXWXIOYJGNB-IBGZPJMESA-N 430.482 1.831 30 10 IDEE Cn1cc(C(=O)NCC2(F)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255655290 KITFYUULEBIDMH-UHFFFAOYSA-N 438.309 1.408 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C 2255695908 MLZXQFGNCBQCCR-UHFFFAOYSA-N 437.350 1.538 30 10 IDEE Cn1cc(C(=O)N2CC(C3(NC(=O)OC(C)(C)C)CC3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267134092 KVEIODDYPBEKFG-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]2C1 2267137607 SABCEICHOZUTIO-CABCVRRESA-N 448.329 1.169 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2267219668 HSTNFQDUXUTJMA-CYBMUJFWSA-N 441.259 1.912 30 10 IDEE CO[C@@H]1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267878859 CGPFMXZQPCPVDG-ZIAGYGMSSA-N 448.329 1.140 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC(COCc3ccccc3)(C(=O)O)C2)OC1(C)C 2269019896 CCBKWEDNRXCUIN-UHFFFAOYSA-N 441.293 1.453 30 10 IDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2327829857 NVIIFIWNJOTSQV-ZDUSSCGKSA-N 445.505 1.760 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2334263964 XMMFFJAURCLADB-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 16235809 BBNSYEYGJFZURK-UHFFFAOYSA-N 439.537 1.767 30 10 IDEE CCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 33474218 AHMPEOFJTNLYDU-WJDWOHSUSA-N 448.570 1.733 30 10 IDEE C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)CC1 34677209 WGIUWAHFYUGAHW-GOSISDBHSA-N 442.516 1.778 30 10 IDEE O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)N/N=C/c2ccc3c(c2)OCO3)c1 59500555 YTBXMGRYTVATKK-YBFXNURJSA-N 434.430 1.473 30 10 IDEE C[C@H]1Cc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc2N1S(C)(=O)=O 105286720 NWRHNNBXXIANDY-HNNXBMFYSA-N 425.514 1.626 30 10 IDEE CCOc1cc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC 254310159 UMKFDYIKSSSRRR-UHFFFAOYSA-N 443.508 1.398 30 10 IDEE C#CCn1c(=NC(=O)c2cccc(S(C)(=O)=O)c2)sc2cc(S(C)(=O)=O)ccc21 254827188 KFSQPQFNVFCKOZ-UHFFFAOYSA-N 448.547 1.884 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1=O 410141328 MCLIIJXYBFCCFQ-HNNXBMFYSA-N 434.290 1.681 30 10 IDEE NC(=O)c1ccc(S(=O)(=O)N2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)o1 426415814 FHFOALGMRQKOGY-UHFFFAOYSA-N 441.431 1.755 30 10 IDEE Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 437129452 VKOZQWVXVVKTRQ-UHFFFAOYSA-N 440.485 1.402 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 446113494 MSOCBWUVAXHXQY-KRWDZBQOSA-N 439.537 1.211 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461749062 LYRBXQSPNLYNSW-ZDUSSCGKSA-N 426.458 1.453 30 10 IDEE N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 472442168 JAYQXFSMOWTCPI-RJGXRXQPSA-N 427.508 1.956 30 10 IDEE N#C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 499388091 KJIJNNSEQULTCH-SNPRPXQTSA-N 440.319 1.166 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 509014165 RTOPARFDBRQEMD-SFHVURJKSA-N 438.598 1.252 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 514329421 BIGUYPFIHWSAAW-MRXNPFEDSA-N 442.497 1.026 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCS(=O)(=O)NCc3ccccc3)cc2C1=O 515240633 INYHKCRMSQLZOA-UHFFFAOYSA-N 427.482 1.318 30 10 IDEE CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518718517 YVDQIZAELKCWNP-MRXNPFEDSA-N 443.569 1.599 30 10 IDEE C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cn2)C[C@H](C)O1 542824554 PZXKMMAECLZNRK-GJZGRUSLSA-N 426.525 1.646 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC2)CC1 550055688 DRBTYGMICTWMTH-IRXDYDNUSA-N 425.555 1.050 30 10 IDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 558986437 HFRHPXZEXZUABP-UHFFFAOYSA-N 428.537 1.213 30 10 IDEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H]1c1cncn1C 561429032 IJBBMNNRJPJAMI-XMSQKQJNSA-N 435.532 1.725 30 10 IDEE COc1cc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 564760456 NXWCEUAGUCFEOP-UHFFFAOYSA-N 430.486 1.909 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C 603800040 QDELORVAGPJOGE-UHFFFAOYSA-N 433.533 1.863 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc(Cl)c2)c(=O)n1C[C@H]1CCCO1 603990199 RLICOYRVBOUEGQ-CQSZACIVSA-N 438.336 1.645 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccccc1C#N 604002341 OIYOUQLLVKIEPX-UHFFFAOYSA-N 448.454 1.831 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(OCC#N)cc2)CC1 727678701 ZWPBWJPHTLHVGZ-UHFFFAOYSA-N 431.518 1.646 30 10 IDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748775051 PCRXFLFBPGVCRT-INIZCTEOSA-N 448.589 1.905 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)NC2CCN(c3ccccc3C#N)CC2)cn1C 749532848 FGFIJZPTOUZOKL-UHFFFAOYSA-N 430.534 1.054 30 10 IDEE COc1cc(Br)c(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)cc1OC 751824139 ZBULPKVLFFVYII-UHFFFAOYSA-N 428.264 1.795 30 10 IDEE CCc1c(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754350610 KSRZECPFUQQODR-GFCCVEGCSA-N 435.440 1.250 30 10 IDEE Cc1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1S(C)(=O)=O 759787786 QTJHUFAUBMCUGR-CYBMUJFWSA-N 435.527 1.854 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccn(C)n2)C1=O 765545755 VRTGJNXXVJQYDT-QGZVFWFLSA-N 432.525 1.759 30 10 IDEE CC(=O)N[C@@H]1CCCN(C(=O)CON=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)C1 769841610 IDFCFTMQTPPLNB-GOSISDBHSA-N 447.536 1.475 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c(C)n1 781649026 MMMMYMTUZLZDTI-MRXNPFEDSA-N 441.553 1.837 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cccc(C)c1 782832824 LDNIKDHPBNNEFE-SQWLQELKSA-N 448.545 1.519 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1C#N 785646544 LBZPPEIXLFDMQU-GOSISDBHSA-N 426.473 1.274 30 10 IDEE CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 787070389 VZMPHQRXHGJIFP-RBBKRZOGSA-N 444.491 1.830 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCCN1CCN(S(=O)(=O)C2CC2)CC1 788038795 DZOPFACYHMFVGZ-FQEVSTJZSA-N 435.546 1.615 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCc1cccc(OCC(F)(F)F)c1 793003260 GDAWRQMHHFSZQE-MSUUIHNZSA-N 426.395 1.996 30 10 IDEE CCOC(=O)C1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCOCC1 796878552 IHQPRKDHOPNEHH-UHFFFAOYSA-N 434.392 1.742 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 800773977 ORSRQOWLKSKRDA-KFWWJZLASA-N 425.555 1.716 30 10 IDEE C#C[C@H](N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1)C(C)(C)C 807934903 BLQOLUGFEYZPBE-IRXDYDNUSA-N 432.594 1.950 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2ccc3ccccc3c2)n1 811472059 TZVGDLPKBSLOMA-UHFFFAOYSA-N 440.525 1.623 30 10 IDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 812182281 GJZSENRROBICSM-JKSUJKDBSA-N 434.541 1.877 30 10 IDEE CCc1ccc(C#CC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 815443005 FYKBHKYNLYPQMA-UHFFFAOYSA-N 427.306 1.642 30 10 IDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)CC3(C#N)CC3)c(Br)cc21 815960881 WMQGJGPBYOFEGM-UHFFFAOYSA-N 427.280 1.138 30 10 IDEE COc1ccccc1[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 915094949 MXLAAEUHAQEFOJ-FQEVSTJZSA-N 443.525 1.817 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084578926 RSUBQWBUWYRCKD-UHFFFAOYSA-N 444.433 1.488 30 10 IDEE C=CCC1(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CCOCC1 1130902655 ZFZVJHSFLOSPKP-UHFFFAOYSA-N 434.562 1.998 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(CS(N)(=O)=O)cc3)CC2=O)cc1Cl 1135962160 HYXDOFIPTZJQMK-AWEZNQCLSA-N 432.889 1.992 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C)C1=O 1162713565 YGEHBSVQHITWAX-OAHLLOKOSA-N 448.520 1.601 30 10 IDEE O=C(CN1CCS(=O)(=O)[C@H]2COCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1170997126 GMJTUQJMXKSORK-IRXDYDNUSA-N 430.448 1.061 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2)NC(=O)NC1=O 1251866716 REAGIEIPDKPAQO-YKSBVNFPSA-N 446.511 1.661 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1251951988 WLBUYFXLIQSJSQ-QZNHQWIBSA-N 426.539 1.260 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C[C@H]1C2 1255023349 IGCFORCCCBXPBY-WLBVRSFFSA-N 438.550 1.354 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1286411420 STNAWIQMTMJGIV-UHFFFAOYSA-N 438.495 1.974 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ncccc2N(C)C)CC1 1286470973 DYPVFUUAMQJZFR-GOSISDBHSA-N 427.553 1.267 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CCOC2)CC1 1286472628 UYGWTYXPZPLALS-JTSKRJEESA-N 445.951 1.978 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286716514 NOEKPGDGKRGUKR-ZWKOTPCHSA-N 439.582 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286822140 ZLGLIZCBZAEFSR-INIZCTEOSA-N 448.549 1.142 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 1290995230 VOXAGMWUJSXDHO-UHFFFAOYSA-N 449.573 1.873 30 10 IDEE CCCN1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1294675794 QDNJWNIIDMVWPX-OAHLLOKOSA-N 449.581 1.712 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1297801006 FXUPCSXPUKESNX-LAUBAEHRSA-N 429.473 1.454 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1298969401 JPSFPRLSIAUKCS-WNSKOXEYSA-N 435.532 1.646 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1299300051 AQSNPPDCIHXDKR-IBGZPJMESA-N 429.481 1.484 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[C@@H]1NC(=O)NC1=O 1300276992 UHMHTBGMPSVVEO-YPMHNXCESA-N 448.325 1.492 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)Cc1cccc(F)c1 1300321377 LKXMWHAWTATDFF-INIZCTEOSA-N 426.496 1.356 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1300512796 TUUSQZWODVTFKV-XMMPIXPASA-N 443.592 1.627 30 10 IDEE O=C(c1cn(C(F)(F)CO)nn1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1300828951 MXXWUXXKNNEZAH-XPUUQOCRSA-N 439.263 1.034 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301084357 UTBPKURVTLPYEY-DLBZAZTESA-N 428.468 1.524 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCOC)CC1 1301216126 CEOJXVDYXSGXGP-UHFFFAOYSA-N 444.536 1.951 30 10 IDEE C#CC1(O)CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1 1301219429 KXKDUWBVONLDFL-NRFANRHFSA-N 442.512 1.928 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cnnn1 1301350928 DKDVTXWZPPPOMR-QGZVFWFLSA-N 425.472 1.638 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301507130 XLUFJULJAYBNAF-JKSBSHDWSA-N 426.521 1.339 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1301554712 LMLLBPFIVUZOGI-SJORKVTESA-N 446.552 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301578491 CCGBTVXLOXGWDD-MRXNPFEDSA-N 434.566 1.379 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cnc2ccccc21 1302100034 WOMWHJQKJVPQGY-SJORKVTESA-N 425.493 1.781 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1304739980 DFGQVLAPZMBDHF-FMQUCBEESA-N 426.525 1.758 30 10 IDEE C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCOCCN(C)C)CCO2 1305248268 BRUHUIBTYMZWBJ-JPYJTQIMSA-N 440.548 1.779 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(S(C)(=O)=O)CCC1 1316272285 JVRIOHGJTHGFIC-PMPSAXMXSA-N 425.555 1.708 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)COCCO1 1358877169 YJGROEPDKCYITM-IERDGZPVSA-N 447.561 1.459 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(=O)NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358956000 YHDIBBQCTXKFAE-JKSUJKDBSA-N 433.534 1.328 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1358965348 SSWHDEQRZZJGIB-HOJAQTOUSA-N 443.573 1.442 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC[C@H]2C)CC1 1359038011 HJCXFJHFDXNURY-HXUWFJFHSA-N 427.597 1.420 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@]2(O)CCO[C@H]2C)CC1 1359039054 VNKXUICVNMJKNM-YADARESESA-N 439.560 1.715 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CC=CCO2)CC1 1359046137 GICZDIPZZUNNPL-LJQANCHMSA-N 440.573 1.945 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359048472 RLRWJBANOBGJJL-MRXNPFEDSA-N 448.593 1.984 30 10 IDEE C=CCN(CC=C)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359273707 KWUZOEOZFDGWML-NRFANRHFSA-N 432.546 1.894 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359332589 BJVIHEBEGSRCSS-MDZRGWNJSA-N 442.607 1.550 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359437225 AYSMHCMBSMJUTM-SGRLSNSRSA-N 441.536 1.110 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CN([C@@H]3CCOC3)C2)CC1 1443659693 AEMVIPGYZQLHOW-RTBURBONSA-N 433.350 1.879 30 10 IDEE O=C(NCC#CCO)c1cc(S(=O)(=O)NCc2ccccn2)c(Cl)cc1Cl 1448431615 BPGZTFNFMKFKQJ-UHFFFAOYSA-N 428.297 1.592 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)n1 1448860600 RGPYXQLKLGVGAK-MJGOQNOKSA-N 425.407 1.302 30 10 IDEE CC(C)(C)OC(=O)N1CCc2c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccnc21 1456611519 HLPJQWYPBKIOME-RNODOKPDSA-N 432.502 1.390 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(S(C)(=O)=O)c3ccccc3C2)c1 1459900625 MKUIFSMLGYZKGW-UHFFFAOYSA-N 426.498 1.598 30 10 IDEE C#CC[C@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 1461812892 JRQYEYFVOSGENO-KRWDZBQOSA-N 444.557 1.399 30 10 IDEE CC(=O)N1CCC(N(Cc2cncs2)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1468616196 ZDGNYEJTZKKSGI-VHEBQXMUSA-N 446.533 1.192 30 10 IDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1472283523 TXKNCFSREWJAMS-ZRQRYBTBSA-N 445.520 1.718 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(CC(F)F)(C(=O)OCC)CC1)c1cc[nH]n1 1472347107 KFVWRELGIAVFAY-UHFFFAOYSA-N 444.435 1.521 30 10 IDEE CN(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1503404258 HUVKVSSBWRBQDR-NRFANRHFSA-N 429.525 1.714 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CC1 1503888512 CNDJMQDLBRAZNA-UHFFFAOYSA-N 447.499 1.761 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1505049402 ZIQIAGNZOZQKLD-GOSISDBHSA-N 425.493 1.036 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H]2COCCO2)CCO1 1505321680 DMEPWZRRDKEWQX-KGLIPLIRSA-N 434.294 1.852 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507572371 HSVCBOCESCRJNW-QGZVFWFLSA-N 437.504 1.166 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507630810 IBVZGHSJPLZYGF-RBUKOAKNSA-N 435.594 1.139 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507631037 AZZVECLCWFCPGW-RBUKOAKNSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1507639771 MBEPRZILUUUKKJ-VQTJNVASSA-N 444.557 1.105 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507739753 KGZUXQFQNKEKET-QGZVFWFLSA-N 433.578 1.021 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1507843742 SMPNFRNEXKWZBC-KRWDZBQOSA-N 426.525 1.693 30 10 IDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507865466 CSKJZXPRHSFAHD-UHFFFAOYSA-N 432.960 1.566 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508118468 RFRGCKUPFYPARY-SJORKVTESA-N 427.509 1.011 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508847166 CLQORJVWTDRWCD-HTAPYJJXSA-N 438.536 1.229 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1512574364 BRWXJRNTNZHTBA-YCRPNKLZSA-N 445.545 1.370 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCNS(=O)(=O)CC 1513913203 FGPLDRDFONPTPG-UHFFFAOYSA-N 449.556 1.507 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1517777170 FBUYGNWKMORWKT-OAHLLOKOSA-N 448.549 1.282 30 10 IDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CCOCC1 1521071835 RQVRCOQBHQDJGG-UHFFFAOYSA-N 435.531 1.235 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@H](C#N)C2CCCC2)c1OC 1536799046 VNZQHPWSGBETOP-QGZVFWFLSA-N 437.518 1.537 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NCCC 1538982516 FRDZAKDATJMQNL-INIZCTEOSA-N 446.577 1.570 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1538984917 SLKFBWHEXRMGRI-OAHLLOKOSA-N 439.501 1.382 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539023570 VOVVNGKBTBEIGG-IRXDYDNUSA-N 431.562 1.617 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539223076 ZCEOJTWSWSSLNE-QYZOEREBSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1539296909 VSODGPBPRTWWPF-WOJBJXKFSA-N 448.637 1.719 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@H]1C 1539296925 WBZSWMYRQXZXAZ-CEXWTWQISA-N 435.594 1.947 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCCOC2)C1 1540862160 TUFBDBCICVCDGH-OAQYLSRUSA-N 425.493 1.235 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1540862870 LGAPGUPLXGPPPA-LSDHHAIUSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1540871384 KLTKVWKTRZCIEB-HOCLYGCPSA-N 447.536 1.745 30 10 IDEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1C 1545024294 MFKLTCJSUQYTNN-ANNUQZOISA-N 441.536 1.204 30 10 IDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1547727187 AACQIMSFBUCMCY-GOSISDBHSA-N 436.564 1.027 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)Cc2ccncc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367664 DGXJHNCGGIEXOG-GOSISDBHSA-N 431.418 1.978 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COCCO1 1554327909 OHCOJKIJRAICGG-KGLIPLIRSA-N 437.298 1.190 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1554369364 GOCHKOANFQGPNI-AWEZNQCLSA-N 432.550 1.859 30 10 IDEE CN1C[C@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1557243597 VOIPUCVHUOZRIO-RTBURBONSA-N 441.532 1.673 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1557503941 OYIYOEKYJLUXHE-KBPBESRZSA-N 435.916 1.855 30 10 IDEE N#Cc1cn(CCC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(=O)nc1O 1557988744 KJIAEZNRLJBFHP-GFCCVEGCSA-N 449.389 1.410 30 10 IDEE C#CCOc1ccccc1OS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1561236712 KAISRCFQMWGSNG-UHFFFAOYSA-N 429.450 1.720 30 10 IDEE COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1583832083 MSIZOOZPCBBAIZ-BLLLJJGKSA-N 432.889 1.922 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1587857056 VDWCZOGKGWMCRX-HNNXBMFYSA-N 447.521 1.540 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588045906 TUFUZOVDGOKJPB-KZNAEPCWSA-N 429.546 1.518 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CCCCC1 1588174618 XWOWHIWKICHNOM-UHFFFAOYSA-N 440.592 1.914 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1595967602 BZZRZDSVIREIGZ-AVRDEDQJSA-N 440.573 1.989 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CC=CCC1 1608571946 OSDISHBRCZDQDX-UHFFFAOYSA-N 448.575 1.876 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H](NC1CC1)C(F)(F)F 1611688027 MVGJFWNULDLUIQ-OAHLLOKOSA-N 432.468 1.695 30 10 IDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1620148669 AAWNJAZAFPQECD-YJBOKZPZSA-N 425.530 1.971 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 1623730781 ZCAGRGFYBVKIBX-MRXNPFEDSA-N 444.507 1.926 30 10 IDEE CC[C@H](C#N)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1627342257 JUCXTDPDZOFXHO-OAHLLOKOSA-N 437.522 1.824 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1 1630133066 PFTWGZLLGAHJQA-UHFFFAOYSA-N 426.542 1.560 30 10 IDEE C#CCN(C(=O)N[C@H]1CCc2nc(COC)nn2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1632969220 DFLPRAGONRRMPJ-INIZCTEOSA-N 446.552 1.784 30 10 IDEE C=CC1(CC(=O)N(CCN2CCN(C)CC2)CC(=O)OC)CN(C(=O)OC(C)(C)C)C1 1635142331 BEZKLXGVTIXMLC-UHFFFAOYSA-N 438.569 1.049 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1636149181 PJTNUGVLNHMNOX-OAHLLOKOSA-N 436.472 1.245 30 10 IDEE N#C[C@]12CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C[C@H]1CS(=O)(=O)C2 1637674033 LBOQEICHMYXPRK-OBZJAWTPSA-N 427.885 1.889 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(F)cc(I)c3N)C[C@H]1CS(=O)(=O)C2 1639178763 HMCFLDNGYOLEKM-RTHLEPHNSA-N 449.245 1.023 30 10 IDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1643599210 ICOPHNYCQFIZEY-QKKBWIMNSA-N 447.488 1.655 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCc4c(CC#N)cccc4C3)C2=O)cc1 1647927333 VBPQPQITCHMHMW-XMMPIXPASA-N 447.495 1.618 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811586 JKPNTUUWQRWNBO-IRXDYDNUSA-N 447.488 1.820 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](O)(Cc3nc(CC)no3)C2)c1 1659965250 FHTGGFKGUPIILT-OAQYLSRUSA-N 431.514 1.639 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)CC1 1661173796 JBQQDFVMIZSWKS-CQSZACIVSA-N 439.607 1.911 30 10 IDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1669662411 FYJTUXRQOHGDMH-IXDOHACOSA-N 426.560 1.376 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N3CCN(CCC#N)CC3)c3nccn32)C1 1676430003 VPHKIOHARAVTLB-MRXNPFEDSA-N 429.525 1.515 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)C[C@@H](C)O1 1679884926 FGUQLTSHLIQENY-OKILXGFUSA-N 425.486 1.201 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1689989643 HPNMURAAYCBSAU-MANSERQUSA-N 434.562 1.390 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689992361 JZTJVUMBSXPHCB-HXUWFJFHSA-N 442.589 1.377 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC1 1690035024 ZEIRNPJTVSDWOI-UHFFFAOYSA-N 426.546 1.534 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1CC 1690047604 VDMSAIABLDNOQK-UHFFFAOYSA-N 444.547 1.575 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1occc1C 1690052876 SUJSCLUSJQQUNL-UHFFFAOYSA-N 436.516 1.585 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(=O)(=O)CC 1690062469 PYSDEXRSDPLZBB-UHFFFAOYSA-N 427.534 1.734 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1690103238 BFQAQRYLISRKAX-OALUTQOASA-N 437.610 1.531 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(=O)(=O)CC)CC1 1690404360 AQJTUOPUXYHHHN-UHFFFAOYSA-N 442.549 1.758 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1692839459 FHVWRABNHHTKHE-KBPBESRZSA-N 444.521 1.129 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1695537751 JCXQIVCFQGSUQV-SJORKVTESA-N 428.518 1.109 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cc1OC 1696125332 DHKWPLSOAXAPAO-ZDPZECHZSA-N 443.504 1.621 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1696477449 WWUWNZPBOUVSMZ-GOSISDBHSA-N 440.533 1.684 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCSC1 1696629439 CNEYEWZXCDMKBO-CVEARBPZSA-N 425.518 1.747 30 10 IDEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCN(C)C2)cc(OC)c1OC 1697243834 DYZQLOOHRJMHIC-NYHFZMIOSA-N 444.536 1.776 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C[C@@H](C)O1 1697910154 GALDZRXAMCNYKV-APWZRJJASA-N 427.505 1.884 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1705566758 PWJGCEFYVLTBPR-ZWKOTPCHSA-N 430.530 1.466 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1705582440 BDKZNIPWVCLIKI-HXUWFJFHSA-N 441.557 1.235 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 1705716618 PZVVMYCVNHKSEH-KRWDZBQOSA-N 437.570 1.300 30 10 IDEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705806717 KPXJLCMTUHCWNH-FQEVSTJZSA-N 446.596 1.857 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705899598 ZNWWLJXYQUHZCU-CABCVRRESA-N 430.534 1.377 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1705902312 BIDHFKBJVZAFRA-GOSISDBHSA-N 443.552 1.749 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1705903494 XACCXZHXWXZAGZ-WBVHZDCISA-N 447.561 1.685 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705905846 JAOXCTBXFGGSBT-UHFFFAOYSA-N 435.488 1.122 30 10 IDEE CC(=O)NCC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1706045138 IQOVFKCYHMBHOR-VZCXRCSSSA-N 441.536 1.425 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1706057359 GUZYSVUJPWBZBJ-INIZCTEOSA-N 433.310 1.963 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1706074736 CXTFNFCQPCEZNY-ZACQAIPSSA-N 447.565 1.177 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CCOCC2)n1 1707833547 XIXFNSNHPZZTMC-HXUWFJFHSA-N 443.552 1.702 30 10 IDEE Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707913988 XOVCTSWSETZNOQ-VHEBQXMUSA-N 427.534 1.497 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2cccnc2)n1CCCCCO 1708153519 QNBNWRDQSMYNMP-QGZVFWFLSA-N 433.520 1.879 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@H](C)O1 1709336092 WOEGHCALGDWMLF-LPHOPBHVSA-N 447.561 1.882 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1710905445 GEPDXKCBSSFBEO-LHQHVEIWSA-N 426.546 1.642 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1711147849 NQYRTQAVXLFZJP-ZJYNUGOYSA-N 425.493 1.805 30 10 IDEE C#CCCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1722323834 XOOJOZIJJGIGJE-QFIPXVFZSA-N 441.536 1.320 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1722359299 LDOGODXZCRTPDI-GOSISDBHSA-N 447.517 1.907 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722364969 JSJGJOGSKVBRCH-SFHVURJKSA-N 446.548 1.940 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722427191 RFSYLVHOTWBTGN-MOPGFXCFSA-N 437.610 1.767 30 10 IDEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722456438 UDULLLFJPMZNNO-INIZCTEOSA-N 444.948 1.112 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722538076 JKGGQTUOESGDJD-KSZLIROESA-N 434.541 1.151 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2OCC[C@H]2C)CC1 1722565807 BXYWDLGRGHOCPD-BRWVUGGUSA-N 425.555 1.192 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCOCC2)C1 1722630472 GJQSJOGSRLZWKH-OALUTQOASA-N 436.553 1.981 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](OCCOC)C1 1722695962 WNJQFMQBINQZFL-INIZCTEOSA-N 434.928 1.928 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722697769 OWLQZVPNVWDFEQ-UHFFFAOYSA-N 426.550 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1722732424 YZDUHPASWRARRV-QGZVFWFLSA-N 447.561 1.433 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)C1 1723470183 CTYPSJNONTWOTQ-LJQANCHMSA-N 429.569 1.611 30 10 IDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(F)cc1 1723809695 HJSCTFSPHCAKQL-QAPCUYQASA-N 428.468 1.849 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1727659036 QHVRSSDCXPTYAI-IBGZPJMESA-N 431.456 1.957 30 10 IDEE COC1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCCC1 1729940530 PCUCPJPIBSHRTR-UHFFFAOYSA-N 439.520 1.910 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1740628418 XKOIKVUEMYXJAE-CVEARBPZSA-N 435.575 1.498 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1740637724 BVZNDHYUDBURJD-UHFFFAOYSA-N 443.511 1.311 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1740638559 NXFPRVNRHRQTAI-IERDGZPVSA-N 430.505 1.300 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1740661146 SBMPBYDQLKITDU-QGZVFWFLSA-N 447.586 1.941 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2nccs2)CC1 1740704385 NIJNOXPEXYHMTA-UHFFFAOYSA-N 438.561 1.734 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(CC)CCOCC2)CC1 1740704805 UNPREHUPOHUBBT-UHFFFAOYSA-N 437.548 1.908 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740711117 HNCVYOYMKDZBHT-GOSISDBHSA-N 449.602 1.838 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740718877 CZVSGNBWDGJGRY-MSOLQXFVSA-N 425.558 1.959 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(CCOC)c2)CC1 1740840363 WTBZRCPIADUVIP-SFHVURJKSA-N 434.566 1.474 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740880194 DUCKHXWGRCZPTK-MSOLQXFVSA-N 442.520 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1740954586 BOSPCQHCWZSVOP-HNNXBMFYSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740958567 QPYIWDAFVGZZNR-OAHLLOKOSA-N 428.541 1.813 30 10 IDEE CCN(C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1746009042 IUNHTABEBZOVQL-HNNXBMFYSA-N 448.549 1.545 30 10 IDEE Cn1cc([C@@H]2CCCN2c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)cn1 1748012463 BJHOBJWASPLPDA-SFHVURJKSA-N 440.533 1.441 30 10 IDEE COC1(C)CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748483904 CRDNXAOJOHGKDT-ZCXUNETKSA-N 428.518 1.682 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C1CC1)N(C)C 1748649384 OBLNGSWJJABWFD-OXQOHEQNSA-N 444.605 1.994 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1748820474 CJRLLTLQWKLLPV-INIZCTEOSA-N 447.586 1.349 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@H](C)C2)CC1 1748978818 PJZZTJSSUJJJGX-REWPJTCUSA-N 430.597 1.417 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2CCC[C@H]2CO)CC1 1748987426 XOTFPXGPPBMRNK-NRFANRHFSA-N 437.592 1.641 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C 1749457994 USQJDYFYCAEVPU-BBWFWOEESA-N 427.571 1.438 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(OC)CCCC2)C1 1749696731 DEUJUNIOIFTAPF-CVEARBPZSA-N 427.571 1.629 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760102236 GMLSBDBNWPPZNW-DJJJIMSYSA-N 440.472 1.554 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760187324 CTVCNQOBQXFZSW-QFBILLFUSA-N 428.562 1.450 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1760189945 SJNPBCFSNTUARX-MRXNPFEDSA-N 445.545 1.989 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1760224895 CJFPOOJSLNCHRH-AWEZNQCLSA-N 435.506 1.156 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1760257703 FOAVMLIRZGYUGW-WOJBJXKFSA-N 437.592 1.983 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)CC)CC1 1760267809 BJUMMSVYDFVHIG-UHFFFAOYSA-N 443.573 1.654 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(C(=O)NCC)CCC2)CC1 1760269181 AXVYCRFSOKXKNK-UHFFFAOYSA-N 426.565 1.818 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCOC(C)(C)C)CC1 1760271092 LLZUGZJWQYTHGJ-UHFFFAOYSA-N 430.553 1.181 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1COc2ccccc2O1 1760524726 HHPVKJYRYHHUAT-SFHVURJKSA-N 434.500 1.842 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760555351 DGRLCMIHEKUDCF-FGTMMUONSA-N 425.599 1.692 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1760845331 HVVQMNHLAAVWHX-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC(C)(F)F 1763043559 FUAAEXNIFBGINC-KGLIPLIRSA-N 445.478 1.651 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1767686581 BPADBVDOMVDMSX-UHFFFAOYSA-N 442.545 1.356 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1768808029 PUJCZJOYGIEBTJ-MBOBHEEDSA-N 447.499 1.816 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1769994276 IKJSZSODCYPIII-LZJOCLMNSA-N 446.531 1.847 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1770159038 FGHDGDSRMUPWFM-IBGZPJMESA-N 426.521 1.832 30 10 IDEE C=CCN(C(=O)[C@@H](Oc1nc(OC)cc(OC)n1)c1ccccc1)[C@@H]1CCN(C)C1=O 1851342340 BWKCPDJHHJKFKG-APWZRJJASA-N 426.473 1.859 30 10 IDEE CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#CCN1CCc2ccccc2C1 1852570118 AIEYDSBWJJCSQH-QFIPXVFZSA-N 425.554 1.325 30 10 IDEE CS(=O)(=O)N1C[C@@H](C(=O)N2C(=O)Cc3ccc(C#N)cc32)Oc2ccc(Cl)cc21 1852605091 SYUUXTNWWHUICF-KRWDZBQOSA-N 431.857 1.855 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 1852748881 NXPKONDRGFKGOB-QFIPXVFZSA-N 449.532 1.899 30 10 IDEE CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1snc(N2CCOCC2)c1C#N 1853048672 VQNDHQDOYRBVJS-INIZCTEOSA-N 425.514 1.863 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N(C)C)c2ccc3c(c2)OCCO3)c(C)c1 1853547348 GZRIJFQYWQHALO-UHFFFAOYSA-N 447.513 1.820 30 10 IDEE CC(C)C(=NOCCCN1CCN(C)CC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853552362 JEJYNAFHXJDTND-UHFFFAOYSA-N 437.566 1.083 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)c1 1854974623 FNZDINIPFDSNNH-XLIONFOSSA-N 430.936 1.944 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCN(S(=O)(=O)C(C)C)CC3)CC2=O)cc1C#N 1856791775 IJGPCSBDCKDJMF-QGZVFWFLSA-N 432.546 1.211 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858336753 YCJMENSTOZICMR-AWEZNQCLSA-N 436.471 1.208 30 10 IDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(CCC)c1=O 1861281640 VQAJMDVDFGFUAT-FQEVSTJZSA-N 425.485 1.827 30 10 IDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c(O)c1 1862741078 LAFXLCQVRUKHNM-GOSISDBHSA-N 441.396 1.720 30 10 IDEE C=CCOc1ccccc1[C@H]1C(C(=O)N[C@@H](C)CC)=C(N)Oc2c1c(=O)n(C)c(=O)n2C 1865725500 DQXGYXYXYRDMLK-BBRMVZONSA-N 440.500 1.258 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN2CCCC2)cc1 1889869723 DJDJMODFFGGDGF-NRFANRHFSA-N 446.573 1.404 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890426663 IQEOTPIQNMTHPH-UHFFFAOYSA-N 433.574 1.310 30 10 IDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)c1 1891738907 XRGLKBHQFLIZBV-QZTJIDSGSA-N 432.546 1.775 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCB2OC(C)(C)C(C)(C)O2)C1 1985103886 BRNSTIPJKAROJO-CYBMUJFWSA-N 432.348 1.158 30 10 IDEE C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)C=CC(=O)[C@](C)(O)[C@@H]1OC(=O)C(=C)C 2112287008 TXWWBAZJPNQNMZ-AYLLHOLTSA-N 432.469 1.976 30 10 IDEE Cc1cc(CN(C)S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)sc1C#CCO 2202308358 JLKIFGVBVHKTJS-UHFFFAOYSA-N 446.550 1.848 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248442119 JDCINEIGHLAHQI-HNNXBMFYSA-N 440.371 1.939 30 10 IDEE C=C(Br)CS(=O)(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2250797004 LVLQJPNIMNHWHX-UHFFFAOYSA-N 435.287 1.432 30 10 IDEE Cc1cc(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255614977 NQDNTOFVQLWMSK-NRFANRHFSA-N 438.330 1.893 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255879273 MOZFLWYQYHLWKR-AWEZNQCLSA-N 432.330 1.905 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267270079 JKPMFFCMIUGGCP-HUUCEWRRSA-N 447.341 1.481 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cccc([N+](=O)[O-])c1)n2C[C@@H](O)c1ccccc1 2327754038 XTCWTEIHHIPWMK-MRXNPFEDSA-N 449.427 1.923 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)c(OC)c1 2329035000 URICUOQJSHLKMU-AWEZNQCLSA-N 447.517 1.864 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2334270292 WHVPLZQAWQKTCS-IJEWVQPXSA-N 446.357 1.847 30 10 IDEE CC1(C)CC(=O)C(=CN2CCNC(=O)[C@H]2CC(=O)OCCOc2ccccc2)C(=O)C1 10120767 IUNNHPHRPKHGMA-GOSISDBHSA-N 428.485 1.641 30 10 IDEE Cc1cccn2c(=O)c(C=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(NCCO)nc12 254738763 KLDGJEIKGRUIQL-UHFFFAOYSA-N 427.377 1.670 30 10 IDEE COc1ccc(CN2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c(OC)c1OC 409537251 QZMMWJMNHSGFIS-OAHLLOKOSA-N 426.539 1.166 30 10 IDEE COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 427303945 FPENTYNYDOIRMW-UHFFFAOYSA-N 427.442 1.873 30 10 IDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@@H](C)O1 436089601 CBDLLWPCMUVLSP-IAGOWNOFSA-N 432.546 1.088 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nnc3ccccn23)CC1 460775746 TZDAYWNKVFQZGU-HNNXBMFYSA-N 444.565 1.891 30 10 IDEE CCC1(CC)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@]1=O 470609679 XDRLFQPWOHBAFP-NOVUIFNWSA-N 430.530 1.913 30 10 IDEE O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476809926 UZJBBLJMUWLCHX-NRFANRHFSA-N 432.480 1.316 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)c(C#N)cn1CCOC 481396851 BJBSSLVZPHJXEL-UHFFFAOYSA-N 426.495 1.224 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c2)CC1 515000430 PREUCTNDZLEPDE-FQEVSTJZSA-N 444.488 1.673 30 10 IDEE Cc1ccc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1S(=O)(=O)NCC#N 519494075 HEBQASXQDDNAAM-UHFFFAOYSA-N 446.451 1.470 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cc1C#N 525173412 XFARCODJWSUIKR-SFHVURJKSA-N 449.532 1.841 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 533351857 UCCHPWMHVSYWAH-CQSZACIVSA-N 436.497 1.781 30 10 IDEE Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 542733390 ICNROUMQNMVNGB-UHFFFAOYSA-N 430.472 1.900 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(C)CCC)C1 555285134 IATQQDHBQHEXAD-QZTJIDSGSA-N 440.614 1.355 30 10 IDEE CCOCCOCCOC(=O)C[S@](=O)CC(=O)Nc1sc2c(c1C#N)CCCC2 586349810 OPJGGLKZOPVYDD-GDLZYMKVSA-N 442.559 1.782 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1=O 590233232 AUNOTOWHORJZCW-VOJFVSQTSA-N 448.277 1.096 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CCS(C)(=O)=O 590410242 GQGIYJAXCKYJIX-GOEBONIOSA-N 427.548 1.041 30 10 IDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@H]1CCCO1 590914706 VAHBRTUJTSQPGQ-UKRRQHHQSA-N 447.582 1.113 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1cc(C#CCCO)ccc1F 703973168 KMFLBLJASLCIQG-UHFFFAOYSA-N 430.457 1.275 30 10 IDEE CN(CC=O)C(=O)c1cc(I)cc(I)c1O 714647776 MRKMFINRMCKQPP-UHFFFAOYSA-N 444.994 1.872 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CN2CCOCC2)ccc1F 732127379 IPPUFAXKKOSHJV-KRWDZBQOSA-N 425.526 1.617 30 10 IDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c1 732648693 SVJOZKYUILXWIT-IBGZPJMESA-N 426.517 1.755 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)c1 761269820 FRKNPVDKHYPWNR-UHFFFAOYSA-N 441.509 1.966 30 10 IDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 762613101 QSVLIRMCKOUMIF-XJKSGUPXSA-N 446.529 1.926 30 10 IDEE C#CCN(C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 774033567 BMPMMUNXTIYVHA-CYBMUJFWSA-N 427.408 1.940 30 10 IDEE Cn1ccnc1[C@@](O)(CCNC(=O)C(=O)NCc1ccc(C#N)cc1F)C(F)(F)F 787075012 WIMKZNJMGQGLTQ-KRWDZBQOSA-N 427.358 1.003 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1Cl 790163238 QGQGDBBOEKYFRJ-JTQLQIEISA-N 426.741 1.914 30 10 IDEE COc1ccc(N2CCN(CCNS(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cc1 790842256 DWDBMXWSLDTYPU-UHFFFAOYSA-N 432.521 1.948 30 10 IDEE COC(=O)[C@@H]1[C@H]2CN(CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)C[C@H]21 794990449 FQGRCZCKUDSQIP-XXLATIFVSA-N 426.517 1.707 30 10 IDEE C[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc(I)c1)n1cnc(C#N)n1 798748635 ZKFYQUSZXQCMIR-VHSXEESVSA-N 439.213 1.886 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(-c2cnn(C)c2)c1 802722214 SXPGMXJBGPYOFO-LJQANCHMSA-N 431.521 1.824 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807931462 GGJJXEBHUNJWGR-DOMZBBRYSA-N 427.523 1.718 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 916770693 SASCLEMBSJVLGJ-UHFFFAOYSA-N 437.481 1.223 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C2(C#N)CCCC2)CC1 918612156 DVZOHHSFNMVCAN-UHFFFAOYSA-N 439.559 1.315 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 919755503 XQCKWVJTSGSGEE-INIZCTEOSA-N 430.505 1.863 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cn1 1084092109 XTRUBYWKFYTGIO-UHFFFAOYSA-N 449.928 1.665 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)C1=O 1131390756 FBDMCYOECOWPSC-CQSZACIVSA-N 442.255 1.643 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@](O)(C(=O)OC)C1 1153268772 DGWQWUOLILVSTF-KRWDZBQOSA-N 427.251 1.235 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(N)=O)c2ccc(Cl)cc2)s1 1159475789 DOQNAUUUJNETRR-MRXNPFEDSA-N 427.935 1.751 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1160113370 JQZIVFAUEUHUMX-INIZCTEOSA-N 448.545 1.742 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2ncc(-c3ccccc3Br)o2)c(=O)n1CCO 1166714650 VUHBLQVTTXMVIC-UHFFFAOYSA-N 431.246 1.648 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)nn1 1191583254 SSXSAPBDSAUJQZ-UHFFFAOYSA-N 447.970 1.627 30 10 IDEE C=CCn1cc2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)cc2n1 1220160562 VWRKMWAKKLQMKQ-FXUPRZHBSA-N 431.518 1.555 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCCCCN(Cc4ccccc4)C3)C2)c(=O)nc1O 1234395720 HAZLGBSQUFJALS-IBGZPJMESA-N 436.516 1.832 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cc1 1264216424 DJWLDDWIGPPVHA-UHFFFAOYSA-N 442.497 1.585 30 10 IDEE CCOC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1264645168 LNXFASBMCZGNMJ-OQCHKFKFSA-N 440.547 1.969 30 10 IDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286352259 ZHEYFPXFRIWSGU-UHFFFAOYSA-N 440.523 1.996 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286390692 FACSVFUITXTTEB-QGZVFWFLSA-N 435.500 1.936 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCc2nnc(C)s2)CC1 1286494767 QXEWYGOYVZMEFA-UHFFFAOYSA-N 427.578 1.989 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1286494957 WMIJCFDMWJGYPX-NLWGTHIKSA-N 429.565 1.953 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1286715558 ZXUPZTRSBOHTJO-LPHOPBHVSA-N 448.593 1.125 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286785291 INDTVVVNHCAGIM-UHFFFAOYSA-N 449.490 1.744 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286788879 JMEZDSUJHSFGQE-GSHUGGBRSA-N 426.521 1.339 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@@H]1COCCO1 1300438002 COBKDNUGAKDJKY-MRXNPFEDSA-N 432.550 1.422 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1300487004 DDWSWHMTEPDPEO-KRWDZBQOSA-N 440.529 1.362 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CC)c1 1300535274 JGQBMSSMLVOOMB-UHFFFAOYSA-N 429.532 1.790 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC2CC2)CC1 1300681873 DPMFUFAKBQFXAV-UHFFFAOYSA-N 449.559 1.429 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(C(=O)OC)CC2)CC1 1300703935 WKXULLATLRFFJK-UHFFFAOYSA-N 437.548 1.498 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1300768754 XVFDOJOKYRFFFD-QGZVFWFLSA-N 433.578 1.541 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301223608 ZMEATPRCSPTNFO-WMZOPIPTSA-N 449.581 1.305 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1cccs1 1301298191 ZTTYMTIMGCATRU-RDTXWAMCSA-N 441.579 1.202 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301474951 IYZPBAAYEBNWIT-SFHVURJKSA-N 429.569 1.129 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(C(N)=O)CCOCC1 1302271151 MAVYONZCNAKCBJ-IRXDYDNUSA-N 432.525 1.024 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)N1CCOCC1 1302273575 ZZJDWHPHFOZBRX-OALUTQOASA-N 432.569 1.853 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCC2(O)CCC2)cc1 1302999665 BZHMPWVGJWADGW-UHFFFAOYSA-N 431.518 1.269 30 10 IDEE NC(=O)c1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nn1-c1ccccc1 1306892389 DQFBYCXWOYGXOF-UHFFFAOYSA-N 433.424 1.489 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)c1 1309822003 IYRRXLDSSWMKBV-HUUCEWRRSA-N 434.436 1.965 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(c3ncc(OC)c(O)n3)CCCC2)c1 1309897297 DTVQNSYYXGLJHD-UHFFFAOYSA-N 432.502 1.854 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCc4c(CC(N)=O)cccc4C3)C2=O)cc1 1312485278 JGPJNWFLVLTDNC-OAQYLSRUSA-N 431.496 1.849 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)nn1 1312898405 NHQNNYLARGFIAB-UHFFFAOYSA-N 432.550 1.804 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCc2cccnc2)cc1 1316529409 DNPUXDZMTYJOBJ-UHFFFAOYSA-N 431.500 1.925 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1352234489 FHOFTUSNXMZRIK-UHFFFAOYSA-N 444.517 1.545 30 10 IDEE CCN(CCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)S(C)(=O)=O 1358258734 HBDNKXIIRMXTHD-AWEZNQCLSA-N 426.926 1.352 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1359009485 QYDORQLJXTZOEM-QGZVFWFLSA-N 430.530 1.849 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCN(C)C1 1359022959 SJOADHMNFBQWHO-HSZRJFAPSA-N 435.532 1.283 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359088274 GSGKFDCGNUKLPI-UHFFFAOYSA-N 441.374 1.468 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1359203148 JHZVIPGNAJDDJD-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)CC1 1436235891 WGFMLRUTBLNMTB-NRFANRHFSA-N 442.472 1.076 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1464752905 URCNWGLNPYZSOY-HXUWFJFHSA-N 434.500 1.522 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)cc21 1467381313 HBVJDOAULNEPGL-CZDRUDQFSA-N 431.518 1.555 30 10 IDEE COc1ccc(CNC(=O)NCc2nn(C)cc2I)cc1C#N 1470145999 ADEPHIPVSFNDNN-UHFFFAOYSA-N 425.230 1.904 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1502677271 WWHZGIALFUZODA-KKSFZXQISA-N 445.524 1.048 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1cnnn1C 1505006135 GJFFTDXQCXRPDK-HQRMLTQVSA-N 436.520 1.922 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1505136482 AXESLTXODBLFPQ-GOSISDBHSA-N 444.561 1.715 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507572471 KOXSSVZILSOGDE-KRWDZBQOSA-N 442.907 1.916 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507622931 MXZJPCYXZOYXBK-MAUKXSAKSA-N 444.561 1.957 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=C)Br)CC1 1507717140 YRLFDOIJMZSBJH-UHFFFAOYSA-N 430.310 1.589 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC[S@@](=O)CC)CC1 1507724663 UTPVGXZWTCVHMK-PMERELPUSA-N 425.562 1.040 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507790499 ACJBISIJOWNUGO-YRPNKDGESA-N 448.612 1.943 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1508093819 XCRKAYWNEYACAW-IBGZPJMESA-N 440.548 1.881 30 10 IDEE CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1508239564 UKVMCUVMBGBTBY-KSFYIVLOSA-N 442.520 1.889 30 10 IDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1532404529 FSUHUCGSTJLKKB-FUHWJXTLSA-N 429.473 1.667 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1539095049 YVIUNSXLQNHNEF-QAPCUYQASA-N 448.597 1.427 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc3c[nH]nc3c2)CC1 1539430567 LLVJPWHXUJMZJF-SFHVURJKSA-N 437.548 1.876 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)cc2)CC1 1539436377 QARBJGDEJQLECS-UHFFFAOYSA-N 435.919 1.896 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1539634287 AOLYVPZVATZXAJ-UGKGYDQZSA-N 440.548 1.540 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1540033565 LPRRTAOLZIMUSC-MSOLQXFVSA-N 440.552 1.717 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1540869049 AFVCKLLUBZIBRX-MRXNPFEDSA-N 429.569 1.027 30 10 IDEE CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1543195142 CSQWBJMAPFPIIT-NNLSSIJJSA-N 444.579 1.546 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N(C)CCc3cccc(C#N)c3)cc2S1(=O)=O 1544903361 XXSPITFAOCNZMM-UHFFFAOYSA-N 427.482 1.664 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CC1 1547764348 FROIRZWWSPVVGH-UHFFFAOYSA-N 444.543 1.827 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1554246270 IBKQBCNNDRKGCN-UHFFFAOYSA-N 433.534 1.697 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC[C@@H]1C 1555168569 QQOXPGBQCZFYER-JCGIZDLHSA-N 437.504 1.666 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1555742068 AXCSJAFGIFNBHW-XGHQBKJUSA-N 434.516 1.750 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOCC1 1556022250 CTBVXRDBLQBMKV-VXPUYCOJSA-N 442.907 1.885 30 10 IDEE Cn1[nH]c([C@H]2CCCN2C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc1=N 1556315933 JZWQGLGPWRZMLB-IYOTWJRTSA-N 429.525 1.678 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)s1 1556738207 ADFYMVGYNYJZDU-QGZVFWFLSA-N 435.571 1.960 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC3CCN(C(=O)c4cn[nH]c4)CC3)ccc2c1=O 1556854195 IESRZSHAHDONJF-UHFFFAOYSA-N 438.513 1.629 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C)nc(N3CCCC3)n2)s1 1556874086 UZVMKNVEVWTEHI-UHFFFAOYSA-N 435.575 1.770 30 10 IDEE C#CCC1(O)CCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1560098464 ISUXAKHQFFGHJU-IBGZPJMESA-N 433.574 1.067 30 10 IDEE C#CCOc1ccc(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 1564798318 HYHLSWWCUGFPBI-UHFFFAOYSA-N 437.525 1.795 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2cccc(OCC(N)=O)c2)C1 1566154136 RROVQMBGIGRVPA-UHFFFAOYSA-N 443.301 1.937 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1588049901 NBNJXHXBBXSBQM-UXHICEINSA-N 442.589 1.841 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1588053235 BJWZLWQGEMDMPR-DCXXXQMHSA-N 436.578 1.756 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)S(C)(=O)=O 1588205883 WWRDFDMQHXWNFQ-UHFFFAOYSA-N 438.557 1.951 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2cc(C)no2)n1 1588724037 SWDNQWCMZLPUPA-QGZVFWFLSA-N 425.493 1.609 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCC(N)=O)c2)CC1 1588813314 XFRFILPKNZPREO-FQEVSTJZSA-N 438.532 1.187 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)C2CC2)CC1 1588967738 ANBQMPSTKITJKD-LTMIRXACSA-N 445.564 1.129 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1593741883 ZJRZYRGQLHBWLA-KRWDZBQOSA-N 429.500 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1595766357 PTZNOPSWYHEJRV-SFHVURJKSA-N 447.561 1.659 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCCC2(C)C)CCO1 1596642674 ZGTNOXMNHBBRAE-WOJBJXKFSA-N 438.532 1.973 30 10 IDEE CC(C)N(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1608026433 HJAHSFRKNIRKLS-KRWDZBQOSA-N 426.525 1.773 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC=CCO1 1608583983 CCVNJFFMWHLLAV-OAQYLSRUSA-N 449.559 1.955 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)ccc1F 1610914385 MESZITRDQOPPCD-INIZCTEOSA-N 426.510 1.996 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(CC#N)c1ccccn1)n2C 1611470790 JNYPLCIMQMGZEA-UHFFFAOYSA-N 426.502 1.708 30 10 IDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)C2=O 1611648600 BHUDHJUGIGJAAD-JLCFBVMHSA-N 442.472 1.391 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1620101299 VGQLHIITIIYIQW-JQFCIGGWSA-N 435.506 1.138 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCOC[C@H]2CCOC2)cc1 1620350570 MBPMKRYNJBOYCF-UYAOXDASSA-N 438.532 1.962 30 10 IDEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1625090387 MBSVAVQYAOXIRK-UHFFFAOYSA-N 445.538 1.445 30 10 IDEE Cc1ccc(S(=O)(=O)C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCCC2)cc1 1626655223 AEKDVABVTHDDJA-LPHOPBHVSA-N 436.555 1.478 30 10 IDEE C=CCc1cc(CNC(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)cc(OC)c1OC 1630469200 OEPWGOSPAQXKOA-HNNXBMFYSA-N 425.551 1.903 30 10 IDEE CN(C)CC#CCNC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1634681758 GXLCSWBWTARASP-HNNXBMFYSA-N 435.491 1.334 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1 1635993419 MVHSMGGLUHFZOK-HSZRJFAPSA-N 430.508 1.277 30 10 IDEE COCc1ncc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c(N)n1 1636310298 KQXCKZNPYOVDKV-UHFFFAOYSA-N 431.294 1.592 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN(CC(F)F)C1 1636564111 WVFMDNLGHZUWSB-HNNXBMFYSA-N 442.532 1.989 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 1638239808 TUUOFHHWHQEPND-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE C#CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1638678553 MDNUGAPCYSINOX-SFHVURJKSA-N 439.965 1.087 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1639878823 UMPNSBDOFPJIFR-SJORKVTESA-N 444.513 1.898 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc2n1CCOC2 1640247129 UJSNTERBIZRLAZ-MRXNPFEDSA-N 431.518 1.327 30 10 IDEE Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc1B1OC(C)(C)C(C)(C)O1 1641669569 FKDDSYYJDRTYMR-DEOSSOPVSA-N 444.381 1.640 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 1643372278 DPBANUSIVOJNLL-UHFFFAOYSA-N 434.743 1.257 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1645666162 JSENSUSLLBUQRM-NRFANRHFSA-N 440.500 1.296 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 1647295014 FCWCOXANNGBRJD-DOMZBBRYSA-N 431.436 1.127 30 10 IDEE N#Cc1cn(C2CN(C(=O)C3(S(=O)(=O)c4ccccc4)CCCCC3)C2)c(=O)nc1O 1648028734 LXEPFIOMNWVYAK-UHFFFAOYSA-N 442.497 1.381 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1C#N 1654182358 VKJOWXCFVFIOTP-LHSJRXKWSA-N 432.525 1.645 30 10 IDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(c2ccc(C#N)cn2)CC1 1654341924 GETMCIDKSOBGHE-MRXNPFEDSA-N 441.557 1.527 30 10 IDEE CCOC(=O)c1c(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c(C#N)cn1CC 1672405276 AFELLJLIIGCKAM-FQEVSTJZSA-N 435.550 1.886 30 10 IDEE C=C[C@H](COC)NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1680388411 CANJNNCLGBNPPW-ZIAGYGMSSA-N 429.258 1.675 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1689982564 QEJWQGNJSGKOMV-QGZVFWFLSA-N 448.545 1.626 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1690047700 XFPZCQKPGLUVFI-XMSQKQJNSA-N 426.542 1.551 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1690094267 XRXBEMMXYCJABY-UHFFFAOYSA-N 442.911 1.124 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690161340 BHTCLMFTTIYRGR-KRWDZBQOSA-N 442.545 1.980 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690471085 UAHBYBHIHUDPQV-INIZCTEOSA-N 438.598 1.693 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C 1690580549 AYZMUVNBJCBGNB-RBUKOAKNSA-N 441.580 1.001 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690729849 UCIPWDDDZZJWQM-CQSZACIVSA-N 439.504 1.488 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1690883717 FNJDKDMVPIUACJ-DJJJIMSYSA-N 449.512 1.337 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1692741212 FCYWVHREZXDMBW-QFBILLFUSA-N 447.561 1.882 30 10 IDEE CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1694471181 ASKHQLDWSQRCAD-MRXNPFEDSA-N 425.493 1.861 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@H]1OC 1698292006 KUDHRADIEVSFSK-XQBPLPMBSA-N 443.504 1.384 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1698296068 RMJCMEVSSRKBCY-OTWHNJEPSA-N 445.545 1.370 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC2CC2)c1 1705476787 FEVARUAMRGOGPW-CABCVRRESA-N 432.550 1.578 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705530841 WRZDZYHPNOYHKX-KRWDZBQOSA-N 429.525 1.822 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705567324 WNOPMQQEXWFTRB-CQSZACIVSA-N 444.483 1.394 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705622736 RWECBMIAPRFCPR-PTUXOGIPSA-N 448.564 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1705933030 RKCGADAPATZUDA-MRXNPFEDSA-N 447.561 1.612 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705933851 TVVQCBHOVRZYST-OAHLLOKOSA-N 434.522 1.003 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706117771 ABYYTKNCZSPSGW-NPIURYIMSA-N 442.442 1.870 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CC2)cc1OC 1711774182 AFSVQXIFMRDZQW-JGVYIQDASA-N 431.518 1.602 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(O)CCOCC1 1712563544 ZCYLFOWPIJYCFB-IEBWSBKVSA-N 448.568 1.110 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722344205 NFKCLTGLGPWIIP-JOCHJYFZSA-N 449.552 1.682 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722364950 BBTURCARXVSIIK-PMACEKPBSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1722381172 JKOIWZHRYSPOCI-JENIJYKNSA-N 440.548 1.976 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@H]1C 1722411825 QSADGXGBFYWASV-LJQANCHMSA-N 438.580 1.632 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccccn1 1722423619 KEEWWKNPNRMWNI-UHFFFAOYSA-N 429.488 1.645 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722537625 PKKWEOHYRAXZAF-ZACQAIPSSA-N 437.566 1.020 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1722682201 YDCIFPBMWHCWDY-IAGOWNOFSA-N 434.566 1.278 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1722682283 ZEIITGWROOBZLA-DLBZAZTESA-N 434.566 1.278 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCCOC3)C2)n1Cc1ccc(C#N)o1 1723936866 MEQWNVVHHDCQOB-LIRRHRJNSA-N 434.522 1.408 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(CCS(C)(=O)=O)C1CC1 1740571750 SJIASXJEIFUBDQ-UHFFFAOYSA-N 433.534 1.823 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740581681 DFUHAKUMNDJYAK-FUHWJXTLSA-N 427.530 1.477 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1740621218 UVODJWIGFXTWEG-CEXWTWQISA-N 444.557 1.420 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740624306 FICKHFLIECTZFZ-AZUAARDMSA-N 444.605 1.621 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1740645921 NHZLWBMHBPDWEH-HKUYNNGSSA-N 429.546 1.739 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(=C)Br)CC1 1740700763 HATSYNYACAGMBU-UHFFFAOYSA-N 437.342 1.291 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCCC2(C)C)CC1 1740704925 WNFPPANGAKYVSE-QHCPKHFHSA-N 437.548 1.642 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1CC 1740773740 CKWQKORCNFIUPL-QZTJIDSGSA-N 440.614 1.498 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nncn2C)C1 1740985641 RXMRPYGPHYJLKZ-SFHVURJKSA-N 425.493 1.824 30 10 IDEE C=CCSCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1741004411 AAGDPBVHVWNHPS-QAPCUYQASA-N 430.596 1.473 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCN2CCOC2=O)CCOC1 1741724233 OPPMGSVBBNWWJM-NRFANRHFSA-N 432.525 1.901 30 10 IDEE Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742818582 VFTFTOWWECFBDP-HEWTWTGNSA-N 429.525 1.244 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C(=O)NC)c2)CC1 1749287082 WJYMVZVACUCXRW-MRXNPFEDSA-N 446.577 1.647 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1749368877 SGXNOSCNVGQNKG-DLBZAZTESA-N 441.598 1.686 30 10 IDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749433946 BGDHDMHQYRUEFY-JOCHJYFZSA-N 440.552 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749663612 KPDHOKJMHZBMHV-UHFFFAOYSA-N 436.451 1.030 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1750026198 FVOSMASTOMPQMQ-KBAYOESNSA-N 445.568 1.093 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1750104735 PDEROFFEGKOZLW-HXUWFJFHSA-N 440.548 1.638 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1760097351 DBHFGFLAAFGTAQ-HZPDHXFCSA-N 427.534 1.580 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1760210113 MRUIYSCFWIGFQO-KRWDZBQOSA-N 439.545 1.356 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(=O)(=O)CC 1760232673 KIPFSRZWWNFEHX-UHFFFAOYSA-N 443.533 1.383 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1760244106 LYZWFIQLSQXPDK-JOCHJYFZSA-N 429.521 1.072 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1760264517 RDENEURCJMCDKQ-UHFFFAOYSA-N 434.529 1.692 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N(CC)CC)CC1 1760271581 CSUMFHDGEBYZNJ-IBGZPJMESA-N 437.592 1.960 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760313783 QFADFRZUPOYQKP-VSZNYVQBSA-N 430.553 1.360 30 10 IDEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC)C1CC1 1760471139 NPSDTNWTTGWUEI-UHFFFAOYSA-N 443.371 1.750 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1760504962 HCOIYCDLBBHFAM-GOSISDBHSA-N 432.546 1.898 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1760709269 RQYDISFQFHRBFR-UHFFFAOYSA-N 439.520 1.608 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1761362571 DMIDZURZWKRPNK-WMLDXEAASA-N 434.522 1.468 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)COCCO1 1761572999 CKCUUNWEHKZPDP-JOCHJYFZSA-N 425.537 1.974 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1Cc1ccc(C#N)o1 1762214323 BDVRPDDXASJGBT-KSSFIOAISA-N 430.509 1.950 30 10 IDEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1=O 1764467538 YNSLXIKHOWKZFS-UHFFFAOYSA-N 426.521 1.664 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCC2)CCOC1 1767438492 GJALRULECPHHPP-MJGOQNOKSA-N 441.529 1.339 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cc1 1768495351 CSCISQBPBQWLAE-YWZLYKJASA-N 448.524 1.677 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1769882194 QYVKOQOQHQWDAB-JLTOFOAXSA-N 430.896 1.814 30 10 IDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1852556109 FXNBPJPNHWSFIO-OAHLLOKOSA-N 429.436 1.929 30 10 IDEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC2(CC1)OCCO2 1868783924 UOAOLMOXDXVIEU-SJLPKXTDSA-N 446.573 1.895 30 10 IDEE C#CCn1ncc(NCCC2(O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2105996466 DSVXSBMMIMGOSO-UHFFFAOYSA-N 427.299 1.423 30 10 IDEE CC1(C)OB(c2ccc(=NCCn3cnc(I)c3)[nH]c2)OC1(C)C 2224123296 BMFOQKIUPGOKHG-UHFFFAOYSA-N 440.094 1.716 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCN(C(=O)OCc4ccccc4)C3)[nH]n2)OC1(C)C 2243387168 OQMIEWMECHKIJD-MRXNPFEDSA-N 440.309 1.850 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2243675310 UTYAMMUEBLFDAI-CYBMUJFWSA-N 426.344 1.549 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1(O)CN(C(=O)OC(C)(C)C)C1 2244605338 NVBRLDLNBGMLQY-OAHLLOKOSA-N 425.526 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2255648002 HHCAUKPPXBQZND-CQSZACIVSA-N 436.314 1.633 30 10 IDEE Cn1ncc(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255824233 DDHDWQPIZFRMME-UHFFFAOYSA-N 444.288 1.609 30 10 IDEE CON(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2255827395 JIWMVYHSIKOLRM-CYBMUJFWSA-N 436.318 1.722 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255830331 DPZDBTVLDTUFHD-ASSNKEHSSA-N 432.330 1.696 30 10 IDEE Cc1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267005404 MHEDINRVKDWBBV-FOLVSLTJSA-N 446.357 1.623 30 10 IDEE CCn1cc(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2267179886 WMKOHVJOWNKIGN-UHFFFAOYSA-N 449.361 1.400 30 10 IDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267882426 SHAZXNOBTGAAKG-KBPBESRZSA-N 444.341 1.713 30 10 IDEE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N=Cc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 2294853638 WJHCKBGRAPMEIX-UWVGGRQHSA-N 428.681 1.666 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2334262877 VDYBUNFTFYXEER-IJEWVQPXSA-N 446.357 1.705 30 10 IDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2365203177 RSUDQLKLZAMRDY-DENIHFKCSA-N 436.574 1.955 30 10 IDEE C=CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 4434534 ZKHVLRVJGVBGGQ-UHFFFAOYSA-N 435.546 1.984 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 15463209 GGNFVHIDFNATCD-SFHVURJKSA-N 442.472 1.336 30 10 IDEE N#Cc1c(F)cccc1N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 29857709 MFOFWOLODPVFLV-UHFFFAOYSA-N 441.532 1.865 30 10 IDEE O=C(NCC#CCOc1ccccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90727250 OCZHCBRBBVILPF-UHFFFAOYSA-N 432.473 1.659 30 10 IDEE COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H](C)n1cnc(C#N)n1 409782977 DTZIFIJHYFGJMQ-MEBBXXQBSA-N 445.277 1.855 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 429168736 QLQBAIPHJAURQE-NZQKXSOJSA-N 432.540 1.529 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)c(C#N)c2N)cc1 429468850 JNZIRODUAOPYPB-JXXFODFXSA-N 435.532 1.876 30 10 IDEE CCOC(=O)c1c(NC(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)c(C#N)cn1CCOC 432416839 IVYHEOPXMVVJJZ-IIBYNOLFSA-N 434.493 1.985 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2c[nH]nc2-c2nccs2)CC1 446380101 DYBRAZDUPSKICN-UHFFFAOYSA-N 443.514 1.943 30 10 IDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 505015547 ZGPFIZUCFUCMFF-UHFFFAOYSA-N 441.532 1.451 30 10 IDEE CC1(C#N)CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1 506042630 WHNHFXHMXFUUPV-UHFFFAOYSA-N 440.953 1.925 30 10 IDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc21 507502715 SXCFCENVYMZVPE-UHFFFAOYSA-N 426.498 1.981 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)s1 532165504 SICRZWXXRVEVAU-UHFFFAOYSA-N 437.546 1.810 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 541192685 ZBAUQZJAILWTMR-GOSISDBHSA-N 439.495 1.454 30 10 IDEE CNC(=O)CCOC1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 557784126 CMQPXQAPYBXGEE-UHFFFAOYSA-N 430.324 1.627 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)c(F)c1 560173668 IGKPUINATYPCSJ-UHFFFAOYSA-N 439.422 1.410 30 10 IDEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615488955 KQNWRYPVZJYSKM-UHFFFAOYSA-N 428.514 1.712 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 732464745 ABHLWMNICXEQTE-VZCXRCSSSA-N 443.479 1.390 30 10 IDEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 735969930 QESMWNZSJKEJKZ-OAHLLOKOSA-N 437.953 1.537 30 10 IDEE COC[C@@](C)(CO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 751542035 AKKWFKBHSYJCCN-ACXJOVJBSA-N 426.539 1.799 30 10 IDEE N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 760360644 BJKKXTAQYHEIGK-GFCCVEGCSA-N 433.417 1.966 30 10 IDEE CO[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 786450596 WAZBQRXPZHSJEJ-LDFKUKNVSA-N 438.550 1.758 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(-c3ccc(F)cc3)c2=O)cn1 794591763 FDUQQWIYGVDFIB-HNNXBMFYSA-N 438.484 1.270 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)N(C)C)CC1 800775794 SOIYFFRNNUOFLS-UHFFFAOYSA-N 427.509 1.694 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C 803564722 CUVMMHDDZMTIFV-QILLFSRXSA-N 439.578 1.558 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)c3cc(C#N)ccn3)CC2)cc1 803849203 XKKCZCQEEBFYJI-INIZCTEOSA-N 442.497 1.340 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1 916775126 ICHMOFXXAFFCFH-UHFFFAOYSA-N 447.538 1.993 30 10 IDEE N#Cc1cc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCC3)cn2)ccc1Cl 917737198 NOHXOUWYOBHWRO-UHFFFAOYSA-N 441.922 1.697 30 10 IDEE N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 919282825 FPZLYPTWCURPFF-SFHVURJKSA-N 428.464 1.806 30 10 IDEE COc1nc(N2CCN(C(=O)C3(C#N)CCSCC3)CC2)ncc1Br 1126680462 GBRCJZOHBUSAHQ-UHFFFAOYSA-N 426.340 1.933 30 10 IDEE C#CC1(O)CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 1148406133 LJUKVWBERYGCRX-UHFFFAOYSA-N 425.526 1.735 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 1149175637 BNXLAPFENNQYDN-MRXNPFEDSA-N 436.534 1.553 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1cnn(C)c1 1152344228 JKAQAOWNULUJCW-KZNAEPCWSA-N 439.863 1.260 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CCO2)C1 1160315938 TTWWZRLDUOJHSA-OGLOHFSISA-N 434.493 1.141 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CC2(O)CCOCC2)CC1 1168941193 NFYGYQWFIIDWHX-RBUKOAKNSA-N 438.366 1.924 30 10 IDEE C#CC[C@H](CCOC)NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1169293290 RPVWWLXYENYPEG-WCXIOVBPSA-N 428.551 1.201 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 1176629743 UKKLTUDLUWURDD-CALCHBBNSA-N 442.541 1.889 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2=O)cn1 1268916343 IEIOYLRZQGLWDE-CQSZACIVSA-N 437.435 1.718 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1286386096 UTXOPMABKXUSSE-KZNAEPCWSA-N 430.578 1.877 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCCC1 1286400573 CEHPSSOOGBGAEV-UHFFFAOYSA-N 425.558 1.907 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286444958 DDUJSJMNTHXZJV-IPMKNSEASA-N 435.594 1.836 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)Cc2ccccc2)CC1 1286477067 NMMKBVKFVQWWHB-UHFFFAOYSA-N 430.516 1.149 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 1286477224 SGQRPIZYHHFYRR-UHFFFAOYSA-N 430.438 1.896 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286508505 SVLVDSWQWBUFEI-UHFFFAOYSA-N 448.618 1.491 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286620161 GJSQBPOFGMBIIC-CHWSQXEVSA-N 439.991 1.044 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1286821123 AVISAYALIYYGCM-HXUWFJFHSA-N 445.589 1.883 30 10 IDEE CC(C)N1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1287992750 HQRILRYZRAPPAR-UFVMTTLYSA-N 443.552 1.229 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1300696231 VXHLLRPYKBJXKR-UHFFFAOYSA-N 447.518 1.973 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C(C)(C)C)cs2)CC1 1300698672 XTVJNLSDKFNKRF-MRXNPFEDSA-N 441.605 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](CC)OC)CC1 1300717108 YQCYZDQBVBSMKI-GCJKJVERSA-N 433.553 1.321 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C2CCOCC2)C1 1301509400 GUFHOYLBYVHRJK-IBGZPJMESA-N 427.553 1.695 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1301520580 JAPMRKIBZCJPLJ-LJQANCHMSA-N 438.532 1.960 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1301584939 GLNYHXOUNOTHPM-UHFFFAOYSA-N 430.456 1.992 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCO[C@H]1CCOC1 1303827010 DJBWOBHAVLBHQH-CVEARBPZSA-N 440.570 1.214 30 10 IDEE COc1ccc([C@@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Br)c1 1312372389 WELSMSUPVIMTLN-SNVBAGLBSA-N 448.277 1.919 30 10 IDEE C#C[C@@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1ccccc1 1312830197 RFUFLGCAJQJFLX-GOSISDBHSA-N 427.482 1.504 30 10 IDEE CN(c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1314695553 WZQVJHCEZHMMEY-LZODEBLQSA-N 432.550 1.988 30 10 IDEE N#CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1355621431 KRWGACHMQXTXLV-UHFFFAOYSA-N 436.534 1.567 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[C@H](O)C1 1358941215 BKKUHEVCRRLIAC-AEFFLSMTSA-N 431.562 1.816 30 10 IDEE C#CCN(CC)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1359006026 FAMQQPMUHDUKIL-UHFFFAOYSA-N 432.481 1.651 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1359008971 FEBKEBQDCBEQFM-QGZVFWFLSA-N 448.545 1.068 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1359039924 AXZGKTJDIKDKMW-WZONZLPQSA-N 444.580 1.730 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1 1359304208 QFWBLQNBMZMLHR-SFHVURJKSA-N 442.495 1.420 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1359304250 RQTBFVZOKBPADM-UHFFFAOYSA-N 438.532 1.587 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC1COC(C)(C)OC1 1359331011 KINFCMMQARNJBK-UHFFFAOYSA-N 436.538 1.171 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)N[C@H](C)CC)CC3)n[nH]2)c1C 1441044270 DCHNVFBKKJMSOL-OAHLLOKOSA-N 427.553 1.749 30 10 IDEE Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cn1C 1452498030 KYUDNPFXEDWWID-GOSISDBHSA-N 430.534 1.006 30 10 IDEE C=CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1455924174 GZQMVQMNTOLBBK-UHFFFAOYSA-N 435.546 1.083 30 10 IDEE N#Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)s1 1461010491 RKQRQJFKQXYUET-CYBMUJFWSA-N 431.495 1.873 30 10 IDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C1CCOCC1 1461708011 ATTFHEOJEZBEAD-GOSISDBHSA-N 426.485 1.910 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1467458480 HKBVQPFOBJVAQF-OAQYLSRUSA-N 431.493 1.460 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3c(C)cccc3N2C(=O)OC(C)(C)C)CC1 1467815431 VHGVQECZOYHBIS-FQEVSTJZSA-N 440.544 1.555 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OCC 1471119373 WDLKLOQSAPKGRV-VXGBXAGGSA-N 438.333 1.982 30 10 IDEE COCCCS(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1479071224 OBRLGXSLHAEVHF-UHFFFAOYSA-N 449.577 1.221 30 10 IDEE CN(Cc1ccccc1)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCOCC1 1479262138 OQIQMFYAMUHIDN-PZJWPPBQSA-N 446.573 1.247 30 10 IDEE C[C@H]1CN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 1494522027 BBLCPAXUTIHUCA-HDICACEKSA-N 437.548 1.594 30 10 IDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)c1cccs1 1499152297 HREXCTBEBIXDDK-UHFFFAOYSA-N 436.545 1.925 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)c1 1504130172 DFPUTWFJQJUYTL-IBGZPJMESA-N 440.504 1.750 30 10 IDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1504813194 JXOYJLMQUHHSNU-QGZVFWFLSA-N 433.534 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1507512971 HGVOVNWSCMYANS-GHTZIAJQSA-N 438.576 1.879 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1507701298 CRDPWACCUMJNFV-IBGZPJMESA-N 441.507 1.810 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cl 1507702101 GKUAKIWAVSQUHP-AWEZNQCLSA-N 425.942 1.676 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507721081 YFBMYCBIOMNUJO-MZKRTTBSSA-N 447.580 1.125 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC=CO2)CC1 1507741106 LIQLWTUDHIPDTF-ZCNNSNEGSA-N 443.548 1.661 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1507754616 XZCLEMZIRSLCSZ-LJQANCHMSA-N 438.557 1.616 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1507790928 FRWHYLLRJONBRF-AQNXPRMDSA-N 448.612 1.945 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1507799207 IRNBFGKRADFEIK-IEBWSBKVSA-N 448.593 1.737 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NCC)CC1 1507803662 CJEPMEFRQNJYIB-FXAWDEMLSA-N 445.568 1.233 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCN2CC)CC1 1507884497 IUBJYOZHBFSGGB-MSOLQXFVSA-N 438.598 1.252 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1508039289 MUQGRFHZHVHZKM-QGZVFWFLSA-N 439.538 1.200 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508140187 GPUWGKYXSVRFFS-YWZLYKJASA-N 439.582 1.471 30 10 IDEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)CCN(C)CC1 1519922157 BEHZFKDUNXTIJY-UHFFFAOYSA-N 439.589 1.923 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1539338515 VWDLZWYQERBBRI-IBGZPJMESA-N 440.548 1.949 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1539447857 XNTXDGGBGRMLQT-NRFANRHFSA-N 436.560 1.666 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1539461486 GOXIJNOLMXJZPI-UHFFFAOYSA-N 445.951 1.807 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1539517111 IQOVUTATJHHPCW-CVEARBPZSA-N 427.596 1.214 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539626887 GZAWFIYKLAGZQA-LMMKCTJWSA-N 427.509 1.058 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(O)cc2)CC1 1539847348 DMFSOQVZUZKLRP-GOSISDBHSA-N 433.534 1.521 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1540862741 IGJDMVJUBAYGQO-GGPKGHCWSA-N 445.612 1.473 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCc1cnccn1 1540868868 USLQIUKDZPKUBI-UHFFFAOYSA-N 443.515 1.902 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540901612 KHUSLSXJEDMDPJ-HNNXBMFYSA-N 430.538 1.007 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC(C)(C)C2)CC1 1540982046 GGTCTEMELMBTBB-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1541043624 FRMVYZOFGAMBIV-IBGZPJMESA-N 435.532 1.836 30 10 IDEE CC(C)(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1541147171 MDVUAXKITMEULX-RHDHSSKXSA-N 441.536 1.349 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1541908481 OGUZSZKZFCPXHD-DRMAHVMPSA-N 440.570 1.355 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1 1542524731 KSFHWPQQPWICRV-UHFFFAOYSA-N 441.557 1.216 30 10 IDEE NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1545342431 OTGNALIYSGAKPI-GOSISDBHSA-N 449.404 1.915 30 10 IDEE CCOC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547830583 BLWIWRVFVJTBRE-UHFFFAOYSA-N 439.520 1.751 30 10 IDEE Cc1onc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)c1C#N 1557420401 OPXZWSDKICLDEP-IUODEOHRSA-N 444.410 1.777 30 10 IDEE N#C[C@]12CN(C(=O)NCc3cccc(COC[C@@H]4CCCO4)c3)C[C@H]1CS(=O)(=O)C2 1565107384 BZIBHZXKSWCGOH-IRFCIJBXSA-N 433.530 1.462 30 10 IDEE N#Cc1ccc2c(c1)N(C(=O)CN1C(=O)c3ccc(Br)cc3C1=O)CC(=O)N2 1584358518 QLSRJSLMXGFDAQ-UHFFFAOYSA-N 439.225 1.902 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC=C 1587631381 CDFMEDWDFYENNP-QGZVFWFLSA-N 443.577 1.511 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1587651582 NTMFKGPJTLCVEN-ZWKOTPCHSA-N 435.532 1.469 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 1588074794 RYTLXVBFEDIDDR-IBGZPJMESA-N 430.530 1.520 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1588620546 XARZJPOKRALEGR-KRWDZBQOSA-N 432.546 1.865 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1C 1588645662 BABHVXPHGAQASJ-BZSNNMDCSA-N 439.582 1.133 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1589109521 DHPLHLQXPPZEOP-SFHVURJKSA-N 436.541 1.906 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1593741884 ZJRZYRGQLHBWLA-QGZVFWFLSA-N 429.500 1.683 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595442052 AQVGKFWFJVECKS-LJQANCHMSA-N 428.512 1.925 30 10 IDEE C=CCn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1595452831 DHWQTPLLACHRDU-HSZRJFAPSA-N 440.548 1.877 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595501363 QYSGNAUMGNZKNL-YLJYHZDGSA-N 435.532 1.276 30 10 IDEE O=C1C=COC2(CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1611534034 RLILAEXWKLXGQA-UHFFFAOYSA-N 435.498 1.876 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)c1 1619354077 CBGYBZUNQLDSEZ-AZUAARDMSA-N 426.521 1.529 30 10 IDEE CO[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619501417 NOSHPXQTPAHZPU-UAFUQJIBSA-N 437.504 1.406 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1620037359 LZKIRSZRHDSKLV-ZWKOTPCHSA-N 426.477 1.031 30 10 IDEE COC(=O)CCN1CCC[C@@H](N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1620057825 XCRGPUVAEVVBSD-HXUWFJFHSA-N 436.516 1.624 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=C3CCCN=C3NN2)cc1 1626285115 CGHGQYNNSXHIAR-UQQQWYQISA-N 430.534 1.772 30 10 IDEE C=C1CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1632674904 LIERIZBTRFYVNE-CYBMUJFWSA-N 439.843 1.670 30 10 IDEE C#CC[C@@]1(C(=O)N[C@H]2CCN(c3nc(C)cc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1634684164 UAXNZACMRZOQRT-AOMKIAJQSA-N 429.521 1.979 30 10 IDEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C 1637904445 JDUCTMDBYFQOEL-FQEVSTJZSA-N 442.560 1.358 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cnc3c(Cl)cnn3c2)s1 1641686504 DWVQDURYVOSRET-UHFFFAOYSA-N 439.950 1.810 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1641763619 HPXGHGRTGFZJDL-HSZRJFAPSA-N 440.500 1.527 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 1643372200 AOIPDXJQZIPJML-UHFFFAOYSA-N 428.514 1.132 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(OCCO)CCC(C(F)F)CC1 1645767892 ORYHKFHJYKTXJY-UHFFFAOYSA-N 445.488 1.044 30 10 IDEE COC(=O)[C@@]1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H]1S(C)(=O)=O 1651262090 RWVKFKNPEPVMKU-SIKLNZKXSA-N 442.493 1.843 30 10 IDEE C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660310139 SMIAHAWSTHSTOD-JLMWRMLUSA-N 430.574 1.026 30 10 IDEE COC(=O)c1ccc(OC)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1663733795 BONCVTDXUOJYDL-SFHVURJKSA-N 443.481 1.433 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1666229741 JEHXVNWRJJAZFD-OALUTQOASA-N 438.546 1.755 30 10 IDEE Cn1cc(CNC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c(-c2ccc(C#N)cc2)n1 1680013570 ALKDKIGWOLUGTQ-UHFFFAOYSA-N 443.529 1.448 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccncc2)CC1 1690070467 ASBLMHCMPLCLIO-UHFFFAOYSA-N 433.564 1.745 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCCCO2)CC1 1690131956 BNAXUQCZSUYCAY-GOSISDBHSA-N 442.589 1.984 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690225676 HQTNCETZSMIEDH-ZDUSSCGKSA-N 429.344 1.601 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690309520 CHGQFMNSNMMOLT-AWEZNQCLSA-N 437.522 1.222 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](COCC)C1 1690672285 NSSOZOBMPRYUTD-VQIMIIECSA-N 427.505 1.956 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C)C(=O)[C@@H]1C 1690677283 TUHDWSOSCYIBFL-INIZCTEOSA-N 442.520 1.225 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccn2)CC1 1690732077 VJDORDUHOTTWBV-QGZVFWFLSA-N 432.550 1.452 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1696052115 FEUZDSOABGHAGF-IOMROCGXSA-N 434.516 1.631 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccccn1 1698169955 SQHZOJSTGJIJDT-FXAWDEMLSA-N 425.537 1.816 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1698193171 VCQCBJZXRMLYHO-KNQAVFIVSA-N 427.505 1.600 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1698196893 JPEBSNRKNFLLKY-QGZVFWFLSA-N 428.493 1.545 30 10 IDEE COCCOCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1698216549 OHUYJGCKQSKVLE-PXNSSMCTSA-N 443.504 1.963 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1705573790 OBGPMEXTQOTEJE-INIZCTEOSA-N 427.530 1.082 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(OC)CCOC2)CC1 1705650716 WWCSMDWMLICOFZ-HSZRJFAPSA-N 429.565 1.782 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1705730597 LZZDETRDHRRJSU-ROUUACIJSA-N 440.614 1.546 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705806775 MDRGPLVBLZWOAY-QGZVFWFLSA-N 438.536 1.406 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1)OC 1712151134 FUJQBFJHQCAXHK-LJQANCHMSA-N 427.505 1.864 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1722351156 HODSFBVXMIIDAO-ZJPYXAASSA-N 431.537 1.876 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1722391471 NMOLSEXFLGYKOE-QPPBQGQZSA-N 443.592 1.750 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc(CC)s1 1722419272 VOYMSEAFHUEEDQ-UHFFFAOYSA-N 426.506 1.474 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2oc3ccccc3c2OC)CC1 1722429231 IZTJJLQHENFHCW-UHFFFAOYSA-N 436.516 1.975 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC(=O)NC)CC1 1722444793 NVCAMGKFMSSCKS-HXUWFJFHSA-N 436.560 1.922 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CCOC)CC2)CC1 1722445790 CVRWVZXCMAUZKE-UHFFFAOYSA-N 425.537 1.461 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1722473302 CMMFUTIEAPHHBR-DNVCBOLYSA-N 434.591 1.965 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1722871559 XUISQZBDERYFCS-WBVHZDCISA-N 434.504 1.865 30 10 IDEE CN(C)S(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1729346118 UMMJWPKMGPWYJI-GOSISDBHSA-N 442.467 1.480 30 10 IDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1729365607 NWPCAKUDWXIONV-JVMRMLDLSA-N 439.545 1.732 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1729397994 NIMZUZHTZQWOSM-RBUKOAKNSA-N 447.499 1.973 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCc2ccccc21 1730879335 ZXJDQMBQSCDOPM-RADWXHQJSA-N 427.505 1.565 30 10 IDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCO)Cc2ccccc2)o1 1731184797 UGGKPCJFTOJVIP-QGZVFWFLSA-N 441.513 1.692 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccn1 1740589818 BRWNJLITSXHBOZ-IBGZPJMESA-N 446.577 1.488 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1740875600 GPFOPYQOPKULNQ-MRXNPFEDSA-N 436.582 1.531 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 1740890759 IEFQBVXICMEVSH-NSHDSACASA-N 448.475 1.431 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CC(N)=O)C1 1740954543 AZFHIBNSSAUMPP-MRXNPFEDSA-N 433.516 1.887 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1740954598 BXCYWIRSXGWDCU-UHFFFAOYSA-N 448.531 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](C)C1 1740991992 KIYXYLANQVYIMP-HZPDHXFCSA-N 430.596 1.407 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1748807898 DAUVJGFAYFGLEV-QGZVFWFLSA-N 448.570 1.385 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748825712 CQYUUKSUDXYYDY-KKSFZXQISA-N 446.504 1.180 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCn1c(O)nc2ccccc21 1748875725 WHNHJJZKLQVAHX-UHFFFAOYSA-N 431.500 1.733 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@@H]1C 1748949725 AALJSXIWZSTATO-FZKQIMNGSA-N 438.326 1.662 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)CC 1749056720 QLNHQNBICMQRMX-OAQYLSRUSA-N 429.546 1.819 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CC1 1749259241 KVPHEBLGGKUMIM-OXQOHEQNSA-N 438.532 1.973 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749461835 XOMOBCYDSOLIFK-INIZCTEOSA-N 446.577 1.919 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749659374 AOKFSCKCJKHPDN-INIZCTEOSA-N 440.529 1.419 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCN(C)C(C)(C)C2)cs1 1751782506 JUVROHWJVCZTDW-SFHVURJKSA-N 444.609 1.389 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1760104878 ITJNGOWVORXLBK-CJNGLKHVSA-N 426.477 1.408 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1760211363 GJVNBJPPPVLTAR-GHTZIAJQSA-N 434.562 1.216 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2C)CC1 1760253453 FNTCLKLPRLPHAD-GOSISDBHSA-N 430.578 1.195 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760320715 ZCZSBJKJQLAENA-AQNXPRMDSA-N 436.516 1.749 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760453072 XGWUZKWWOUXGEP-GCJKJVERSA-N 433.553 1.768 30 10 IDEE CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)c1=O 1766967036 HBNTWZKDMHONHS-MRXNPFEDSA-N 449.515 1.659 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1768517672 BVOHELSGMMOZSB-IBGZPJMESA-N 435.536 1.865 30 10 IDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CCOC1 1769782314 MYUDJELBXBBIMI-WVBUVRCRSA-N 427.505 1.741 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1769896051 GGCWZUFGOCXEDB-OAQYLSRUSA-N 428.562 1.453 30 10 IDEE COc1ccc(OCc2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1770291278 OULSIWLZKMCXFY-UHFFFAOYSA-N 427.486 1.947 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1770313560 SYMALSCQMFRVEH-QZTJIDSGSA-N 442.545 1.499 30 10 IDEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770919914 GGZNLDZDDBXHFP-SFHVURJKSA-N 437.504 1.668 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCOC2)c1 1771343774 KTCDOPZBSXQJLA-NVXWUHKLSA-N 431.518 1.504 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCC[C@H]2CO)C1 1771529244 JXJMEGOLJMLHLV-SIKLNZKXSA-N 427.528 1.943 30 10 IDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 1772789900 MIZVAIKDWYYYGI-UHFFFAOYSA-N 429.435 1.666 30 10 IDEE O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)ON1C(=O)c2ccccc2C1=O 1772790089 PJXZLPLBCULEGF-UHFFFAOYSA-N 428.344 1.738 30 10 IDEE CS(=O)(=O)Nc1ccc(CC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1849024264 XUZBPCTUHXRIMI-UHFFFAOYSA-N 432.546 1.601 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)C(C)C)CC3)n[nH]2)c1C 1849346160 VDJRGIPBXDNOKP-UHFFFAOYSA-N 434.566 1.962 30 10 IDEE C[C@H]1CC(=NC(=O)CNS(=O)(=O)c2cccc(F)c2)NN1c1ccc(Cl)cn1 1853234927 AKAZXMZITLYEAQ-NSHDSACASA-N 425.873 1.881 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)cc1 1857223107 BCXQBIOWEFBXCN-ROUUACIJSA-N 429.542 1.770 30 10 IDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CSc2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1857286806 ZRDMXXIATHZNNG-QFBILLFUSA-N 431.558 1.881 30 10 IDEE COc1ccc(CCNC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1OC 1858422613 XNARAAWMNGOQFO-GOSISDBHSA-N 443.525 1.945 30 10 IDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867832428 CPCFYOZUNWNSFX-IRXDYDNUSA-N 427.373 1.283 30 10 IDEE C=CCN(CC=C)c1nc(NC(=O)c2ccc3c(c2)OCO3)n([C@H]2CCS(=O)(=O)C2)n1 1870004500 BRTMKWHSGDFPNJ-HNNXBMFYSA-N 445.501 1.797 30 10 IDEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(NCCCN3CCOCC3)ncnc21 1875229847 IAQYGFMXXDYCMF-UHFFFAOYSA-N 444.580 1.986 30 10 IDEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1 1891882178 ZETTWGDHNLNNKS-GOSISDBHSA-N 444.488 1.783 30 10 IDEE CCOc1cc(C=CC(=O)[C@@H]2C(=O)C=C(C)OC2=O)ccc1OCC(=O)N1CCOCC1 2040456890 GXDSEFSQCKUJQW-JOCHJYFZSA-N 443.452 1.551 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124519671 LVWMGDXLZLGNEA-HNNXBMFYSA-N 448.329 1.740 30 10 IDEE C#CC(C)(C)N1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2164495891 GLYDVLWOQRXEJL-NRFANRHFSA-N 435.521 1.370 30 10 IDEE CC(C)[C@H](C#N)CS(=O)(=O)NCc1nn(C)c(Cl)c1I 2174384341 REYMMOJLIKZSPK-MRVPVSSYSA-N 430.699 1.893 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2184060617 ZLXVXKIDLLTNOF-ZNMIVQPWSA-N 440.294 1.990 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243675760 AEFPNZYPWHIILF-LLVKDONJSA-N 427.332 1.921 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267143870 OBCPIUZMNMKHPK-OAHLLOKOSA-N 446.357 1.933 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@H]1NC(=O)OC(C)(C)C 2267263306 DLTLBRPFVBEQES-ZIAGYGMSSA-N 449.361 1.490 30 10 IDEE C[C@@H](NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267265806 KVKXZBPWEXJQMO-CQSZACIVSA-N 447.341 1.481 30 10 IDEE C[C@H]1CC[C@H](NC(=O)C(F)(F)F)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267503691 HUBQPQDJZFPGQA-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](C#N)C1 2267588473 MGKCZYSXLWHXEB-HNNXBMFYSA-N 442.325 1.966 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(CCNCc2occc2B2OC(C)(C)C(C)(C)O2)nn1 2271519326 KDTBQANFPXCYMO-UHFFFAOYSA-N 447.345 1.985 30 10 IDEE COc1ccc(C#N)cc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2286040275 QIWRHYDEMHDERM-INIZCTEOSA-N 433.442 1.688 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 2296614114 NNVSGDNXJFODKE-FQEVSTJZSA-N 442.491 1.930 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334265380 GRDPVNAMLNGTIF-HZSPNIEDSA-N 447.345 1.242 30 10 IDEE Cc1cc(CN2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343701815 BKEFUQKRIRZRQS-UHFFFAOYSA-N 445.369 1.859 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1 20832160 IOFQZUGPTWESEY-RGVLZGJSSA-N 446.518 1.414 30 10 IDEE C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23754070 JBRUBYRSUSZFBQ-HNNXBMFYSA-N 443.485 1.800 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 111215962 OPURHBUAAVXLIC-OAQYLSRUSA-N 432.590 1.921 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccc(F)cc2)C1 203567496 KMUKCYFRXLFDFB-VNQPRFMTSA-N 439.447 1.912 30 10 IDEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443347656 YTGNOYZLNLHQTK-UHFFFAOYSA-N 434.518 1.521 30 10 IDEE C=CCN(CCOC)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 482398613 DLUUMJKXFLGSPW-UHFFFAOYSA-N 433.324 1.463 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508801690 MTIFNBJPRCXKNC-OAHLLOKOSA-N 430.534 1.994 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCCC(=O)NC)CC1 508803464 XSYCEBSJXCAXKT-UHFFFAOYSA-N 432.550 1.577 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCCO2)CC1 508823013 APJDEKODZWDJBB-IAGOWNOFSA-N 425.555 1.192 30 10 IDEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)c1 510420482 DUPZHRXOGJPFIX-IBGZPJMESA-N 432.484 1.816 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 518237407 MXLAOPIRGKNALI-UHFFFAOYSA-N 448.589 1.167 30 10 IDEE Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(c2ncccc2C#N)CC1 533223817 GUVJHKBVENXFNG-UHFFFAOYSA-N 426.908 1.792 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(C#N)cc2OC)CC1 546002787 DMCSGTSHNKWQKJ-UHFFFAOYSA-N 429.502 1.829 30 10 IDEE CCOc1cccc(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 561834041 QZCSPTKJHLFLII-OAQYLSRUSA-N 434.496 1.927 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 568074742 PALHQIPCUJQBJB-BBWFWOEESA-N 425.555 1.050 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 577132417 OQQLBXHXGGFZSQ-QHWILLEASA-N 429.448 1.475 30 10 IDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 585088886 HXTLPAZVUGCWFZ-FQEVSTJZSA-N 433.510 1.762 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)CC1 604186426 GWKYODICCOWDDB-UHFFFAOYSA-N 436.516 1.463 30 10 IDEE Cc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1S(=O)(=O)NCC#N 609412088 AZMIQVSIDFVYBM-UHFFFAOYSA-N 428.518 1.354 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CC1 614545467 VVVAZACPBHHGPP-UHFFFAOYSA-N 442.560 1.141 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 670198159 VFBJOXOUBNDGHX-UONOGXRCSA-N 439.542 1.549 30 10 IDEE C=C(C)Cn1c(SCC(=O)N(C)CCN2CCCS2(=O)=O)nnc1-c1ccco1 675814644 GTFODBXUNVREQU-UHFFFAOYSA-N 439.563 1.700 30 10 IDEE C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccoc2)c1=O 727418157 WLKOAFLGEVFIPE-AWEZNQCLSA-N 441.534 1.535 30 10 IDEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729671729 WPQDPNZAFZILQB-UHFFFAOYSA-N 427.489 1.885 30 10 IDEE COc1cccc([C@@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N2CCCC2)c1 732441820 HQWHJMHHFCKVAV-HMDOMZECSA-N 427.505 1.658 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 732464965 AOXAQVWWXNAJQW-XDOYNYLZSA-N 437.500 1.779 30 10 IDEE COc1ccc(C(=O)N2CCC(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1OC 735761494 RBSDQNPNNXKOIH-IBGZPJMESA-N 441.532 1.690 30 10 IDEE COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C#N 746681470 ZSBAEIVCHYLNGA-UHFFFAOYSA-N 435.527 1.830 30 10 IDEE N#CC1(NC(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)CCCCC1 750424781 BGDKMEOPWINSLM-UHFFFAOYSA-N 433.266 1.924 30 10 IDEE CCOc1ccc(-n2ncc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2C)nn1 757590075 HZHTZHCEWZYWCZ-HOCLYGCPSA-N 441.492 1.858 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CCOCC 772905585 ZGRNZDZTOKPJLE-UHFFFAOYSA-N 448.614 1.631 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774582306 LLAIQAWLNYORQF-XHSDSOJGSA-N 436.509 1.529 30 10 IDEE N#Cc1cccnc1NCCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776039206 SNKRXDGQFSANES-PMACEKPBSA-N 433.516 1.263 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)COc4cccc(C#N)c4)CC3)C2=O)n(C)n1 780562293 XJASOSZCZKYUIU-FQEVSTJZSA-N 436.516 1.319 30 10 IDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780925309 CEABBEHSTBIHFF-HSZRJFAPSA-N 442.560 1.985 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C[C@H]1CCCO1 782587929 FCTOSAYNVONLBK-CQSZACIVSA-N 442.566 1.204 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)=NO1 789979729 UYSWAXSLYLNEGS-QZTJIDSGSA-N 427.505 1.893 30 10 IDEE COCCCS(=O)(=O)N1CCC(OC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 798854874 HKOHMWZPGKXLJR-UHFFFAOYSA-N 432.502 1.731 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1 804352133 HQASRAIOXAEEEM-MRXNPFEDSA-N 428.297 1.993 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2n[nH]c(NN=Cc3ccco3)n2)cc1 1084472228 MTZYNBGLGUTXRO-UHFFFAOYSA-N 435.491 1.612 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 1125382192 HYWGCEPDKBTTLQ-KRWDZBQOSA-N 427.505 1.182 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ncc(C(F)(F)F)cn3)C2=O)cc1 1129057495 SYBHVMHTWDRVGQ-AWEZNQCLSA-N 432.362 1.888 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)C2)C1 1137159518 BFUBCENGBUOBPL-IZCOPSDLSA-N 434.537 1.560 30 10 IDEE N#Cc1ccc(NCC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)nc1 1137587487 CHCVSGRIWYUAEY-UHFFFAOYSA-N 428.392 1.854 30 10 IDEE C=CC1(CC(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 1140723419 KCKZCHAKLJXMLD-KRWDZBQOSA-N 431.537 1.954 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(OCC(F)(F)F)nn1 1146873724 LUPZXJQSLDVHDQ-UHFFFAOYSA-N 443.407 1.163 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1151411986 POJMIMMVRAEWFP-RTWAWAEBSA-N 425.489 1.081 30 10 IDEE COCCOC1(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCOCC1 1225937280 IXGVMQLBRUTALF-HOTGVXAUSA-N 426.514 1.257 30 10 IDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)ccc1C#N 1264766251 ZKIBZCXLLNKGNP-UHFFFAOYSA-N 425.470 1.590 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCOC(C)C)c1 1286310197 XNGHCHITTSZYSI-UHFFFAOYSA-N 438.532 1.995 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1286387709 UOAZSUNGUWTLNR-IERDGZPVSA-N 448.520 1.516 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286393619 LSYJPFRIOOQTPQ-IRXDYDNUSA-N 449.602 1.888 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccccc1Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 1286396964 ZFAPJOCFPLRRET-HXUWFJFHSA-N 438.557 1.760 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1286429471 BONISWAUDXSOPE-SFHVURJKSA-N 447.586 1.492 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1286431009 LVEIYUXBGIIQLI-LJQANCHMSA-N 440.525 1.831 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1N1CCOCC1 1286467564 QZRHWWVEUUBDJF-LJQANCHMSA-N 426.521 1.148 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)c(OC)c2)CC1 1286478824 CXGKLBBFQCPVEA-LJQANCHMSA-N 443.573 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC=C)CC1 1286489528 WJFNVARVJLWKPB-UHFFFAOYSA-N 431.500 1.085 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286505452 ACBYKEHQRFVZBW-SJLPKXTDSA-N 432.521 1.735 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)CN1CCOCC1 1286515945 UGOVDVBSXCYFQH-UEVCKROQSA-N 431.581 1.891 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC(C)(C)C1 1286600049 IFCZBHWNAWWZDJ-OAHLLOKOSA-N 429.587 1.875 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1286706842 UVQONFLXQRKEKK-UHFFFAOYSA-N 443.527 1.968 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1CC)C1CC1 1286736529 GDVJCQDBDORRHK-ROUUACIJSA-N 438.598 1.250 30 10 IDEE Cc1c(NC(=O)CSCC(=O)N2CCO[C@](C)(C#N)C2)c(=O)n(-c2ccccc2)n1C 1289339255 MVNHSNBHDBSEHS-OAQYLSRUSA-N 443.529 1.297 30 10 IDEE N#C[C@]12CN(C(=O)c3nn(-c4ccccc4)cc3Br)C[C@H]1CS(=O)(=O)C2 1289436190 JQJPZHRYYAOAQE-YVEFUNNKSA-N 435.303 1.645 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)Cc1ccccc1 1290816523 NAGQORUKJBNSQZ-UHFFFAOYSA-N 438.513 1.737 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)N2CCOCC2)CCOC1 1296605348 HWVRENPGRRSWLR-NHCUHLMSSA-N 436.532 1.483 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1300499047 OUQXYRUHPWCQGL-IBGZPJMESA-N 439.545 1.096 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1300538490 RABXIQVCVKDXPT-ICSRJNTNSA-N 441.557 1.488 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@@H]1C 1300663623 BWSSISBZCVOSBA-JPYJTQIMSA-N 436.516 1.757 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1300872833 HJHNJGJQMQYREP-JONQDZQNSA-N 429.612 1.811 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301479151 UYLKHBHTVQCIHC-MRXNPFEDSA-N 425.537 1.519 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)(=O)CC1 1301496589 DKRVUXXHIKGWNT-UHFFFAOYSA-N 442.501 1.137 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(cccc2OC)C1 1301520979 WAAZTUAZZRLHPJ-UWJYYQICSA-N 441.532 1.876 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1303425634 RJYDWSHMARFROA-MJGOQNOKSA-N 435.532 1.694 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1303770739 BPDGPGDQLKONAB-JLTOFOAXSA-N 430.534 1.164 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1313461007 QQDFFXPBSZDEQM-RBUKOAKNSA-N 435.532 1.838 30 10 IDEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CC1 1314647671 CAZKVQXRLQCBQO-RBUKOAKNSA-N 428.562 1.780 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C[C@@H](C)O1 1315932139 CAVYKCOTQPSJBB-UEXGIBASSA-N 440.548 1.778 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1358963233 DYKPSINCWUSILE-SJORKVTESA-N 448.549 1.123 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358963664 MALQBCZIGASIQZ-RBUKOAKNSA-N 444.557 1.774 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1358964132 UNFVMWQHNKGIPC-PMACEKPBSA-N 428.558 1.960 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC 1358989905 TZWRXUURNUKLLU-UHFFFAOYSA-N 430.530 1.860 30 10 IDEE N#C[C@]1(C(=O)NC[C@H](O)COc2ccc(I)cc2)CCCOC1 1445805200 UFPKRCPVXJONQS-XJKSGUPXSA-N 430.242 1.467 30 10 IDEE C[S@@](=N)(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1455497586 TXSOATQCUXTPID-VWLOTQADSA-N 426.340 1.493 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CC2=O)cc1Cl 1461754671 OKOHQWSQYSAFSS-WBVHZDCISA-N 429.908 1.971 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1468372331 CXHXTAUFQUIWKB-KBPBESRZSA-N 428.258 1.689 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC[C@H]1COCCO1 1494137686 UGJZUDUXHGYJNI-IRXDYDNUSA-N 440.552 1.758 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC(OC)CC1 1507515750 IIYXYOMSAMLHKE-JKSUJKDBSA-N 440.614 1.236 30 10 IDEE C#CCN(c1nnc(C)n1CC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507629001 ZEMPOYAVDBVIQY-LJQANCHMSA-N 435.594 1.248 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507748880 SMWIONORHJOTPK-MRXNPFEDSA-N 426.546 1.876 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1508420774 CITPSCLGMLIBNQ-GOEBONIOSA-N 438.458 1.984 30 10 IDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1508428455 AELXRLOPZGSNDB-UONOGXRCSA-N 439.563 1.119 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508463418 CGPBXGJFSDZQPG-SFHVURJKSA-N 435.532 1.790 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1512525555 AHOSPQMUCAGLTR-CSIMIJJJSA-N 427.553 1.775 30 10 IDEE CCCN1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1514944277 VTKAIRJFZQJJND-HNENSFHCSA-N 443.552 1.551 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)CC1 1516001427 XBRDPHSHLULHCO-UHFFFAOYSA-N 447.543 1.834 30 10 IDEE COC[C@@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1518849550 QBXZOAVBWIYCFO-OVGZCAFISA-N 444.536 1.561 30 10 IDEE C=CCN(C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)[C@@H](Cc1ccccc1)C(=O)OCC 1538618432 JPVMWPMWXJWYEY-WMZOPIPTSA-N 427.461 1.189 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CCO2)cc1 1538861771 LPGQMSJTHKCSKT-KRWDZBQOSA-N 447.538 1.854 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1539429840 CWBFGIAVWWWBCN-JPZYQRIQSA-N 449.621 1.375 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1539436485 UIOGDIBTILPFKS-JOCHJYFZSA-N 442.951 1.841 30 10 IDEE Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1539717160 ZCFZNCYAKOKCBT-UHFFFAOYSA-N 431.493 1.890 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539722725 QYXQPKWGUBAJBH-GOSISDBHSA-N 441.536 1.823 30 10 IDEE C=C(C)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539723048 NFOHQJQEULTVGM-KSZLIROESA-N 448.568 1.966 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1541106157 RSMXEZOCPRODPG-JQWIXIFHSA-N 449.313 1.620 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)Cc1ccccc1 1541650422 BAVCEPUKAIPDBM-UHFFFAOYSA-N 444.561 1.771 30 10 IDEE Cc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC(=O)N(C)C)o1 1542339548 FAYSKLAWTTXODV-UHFFFAOYSA-N 434.504 1.918 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C(C)C)N1CCOCC1 1546489909 HMMLXUPKCZYVCM-IBGZPJMESA-N 425.537 1.732 30 10 IDEE CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1547320765 KRXBAVVJESKEFH-MOPGFXCFSA-N 435.532 1.622 30 10 IDEE CCOC(=O)N1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1547796151 UTOOJPJABXUOBW-FBMGVBCBSA-N 431.497 1.206 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1=O 1554353047 PMIPFXDIJMZFPT-QHCPKHFHSA-N 435.532 1.777 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)CC1 1558074791 IWBNTPJKEKWOGH-UHFFFAOYSA-N 435.546 1.127 30 10 IDEE C=CCOC[C@@H](NC(=O)CCOc1cccc(I)c1)C(=O)OC 1568154703 PHXUQNWFYRRYNL-CQSZACIVSA-N 433.242 1.921 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1569560188 HEKWYBQQUMRCAD-HNNXBMFYSA-N 435.889 1.811 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1587766556 WTKSFUIRRXHLJB-SFHVURJKSA-N 443.577 1.409 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1587804068 UFQQHYNLPWCFKW-LJQANCHMSA-N 443.596 1.353 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N1CCCCC1 1587984562 FPUBUPXLAJDLBS-UHFFFAOYSA-N 436.564 1.924 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1588050965 YICBUCWHFHVQTI-QGZVFWFLSA-N 438.513 1.310 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1588064684 MXQDWVFKPBINON-MRXNPFEDSA-N 428.543 1.395 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1588185560 JCNFALWLSWACBC-OAQYLSRUSA-N 434.562 1.359 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1593736277 YWOSOBZCZRQVHE-UYAOXDASSA-N 427.553 1.875 30 10 IDEE C=C(C)COCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1593768723 IKDIHJKGFUIGNZ-QHCPKHFHSA-N 449.596 1.824 30 10 IDEE CCN(C(=O)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1597896190 XLHKMHDBAQCPMD-LJQANCHMSA-N 433.468 1.933 30 10 IDEE COC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)nc2C1 1598078121 SLYBLTKUNIJMMG-CYBMUJFWSA-N 448.526 1.865 30 10 IDEE C[C@@]1(C#N)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCO1 1598178252 LWFFATSJQPHNAA-KBXCAEBGSA-N 427.910 1.552 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1 1607471737 VGKJYDSZWPUVOW-QGZVFWFLSA-N 433.530 1.727 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COCCOC)C1 1615741362 BQQQRYYUWIYMIL-SFHVURJKSA-N 436.520 1.966 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1618456440 TWZZVKIRPQMERJ-IRXDYDNUSA-N 436.289 1.956 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1618837851 DDUHHCGUJHRANE-OXQOHEQNSA-N 448.524 1.570 30 10 IDEE CS(C)(=O)=NCC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1620596418 OJPJLRVTXOEGCA-GOSISDBHSA-N 437.635 1.897 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 1629068620 JKHCGZLXMJLHGE-KRWDZBQOSA-N 427.505 1.182 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)ccc1F 1635426433 SGZGVHHPQTVFHM-INIZCTEOSA-N 426.510 1.684 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@@H](CS(C)(=O)=O)C3)C2)C1 1636299791 QMPNJQNDSUPSFX-QNBXZPKWSA-N 441.550 1.045 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)C2)C1 1636446991 AMAOQGUWXXJMRI-UARSRXHTSA-N 426.539 1.053 30 10 IDEE O=C(c1cccc(N2CCCS2(=O)=O)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1639049575 IDXPUIVUDFNDCZ-UHFFFAOYSA-N 443.481 1.744 30 10 IDEE C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1642141492 GUPSLJSMCZMGAR-UONOGXRCSA-N 436.534 1.629 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1648869503 VQFZIIYRLMATRU-UHFFFAOYSA-N 448.545 1.727 30 10 IDEE COc1cc(CN2CCN3[C@H](CNS3(=O)=O)C2)ccc1OCc1cccc(C#N)c1 1655680396 DUPNCENWKQCUFZ-LJQANCHMSA-N 428.514 1.480 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 1659797845 VOPZEKSDEIBTTC-TZIWHRDSSA-N 432.590 1.825 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 1687426259 FTWWIGUAVRYMFA-GOSISDBHSA-N 432.594 1.248 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCN(CC)CC1 1689848599 YKDQYHACOOYREL-ZWKOTPCHSA-N 441.580 1.737 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)noc1C 1690100794 CFVSHJQFHGNFEN-UHFFFAOYSA-N 447.499 1.931 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690663227 QGRDWJKJIRLDHH-PHIMTYICSA-N 440.323 1.633 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(C)(C)C)CC1 1690724490 QFPRDZSKSPYEBW-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1693886160 ZIQVNGYLKJPZIR-FMERGGRFSA-N 427.505 1.476 30 10 IDEE CC[C@](C)(O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1693928295 UVPYGRUYKINZAL-BVYCBKJFSA-N 432.569 1.656 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1696501675 GFZJMUVYLXBPNK-MRXNPFEDSA-N 427.893 1.375 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1698301677 JMPRYCJDDPOEAJ-UHFFFAOYSA-N 447.561 1.905 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1698495027 CLVPICOOQMFWOI-INIZCTEOSA-N 446.533 1.333 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1705612246 CSYIOEREXCOLCU-SFHVURJKSA-N 433.534 1.127 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705906455 GCGPJCXKWYIXMY-IBGZPJMESA-N 440.548 1.772 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1706743107 CIDFFBJMUKDTBZ-AWEZNQCLSA-N 433.472 1.997 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1Cc1ccc(C#N)o1 1706882897 ZBZLSYAVFNSOHY-SUMWQHHRSA-N 444.521 1.476 30 10 IDEE C[C@@H]1C[C@@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1707999160 GNRKSBAXLDZZJQ-FHLIZLRMSA-N 430.534 1.700 30 10 IDEE CCN1CCN([C@@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCC(C#N)CC2)CC1 1710264823 OLZORPIJPGIYIQ-RBUKOAKNSA-N 433.601 1.768 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1711085734 QRQYGPGWFJPDCI-WIYYLYMNSA-N 445.545 1.494 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1722293499 CPYKGBCTGUUXTD-QAPCUYQASA-N 429.546 1.240 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1722365695 NOKVGMUIYLMCDV-MRXNPFEDSA-N 443.558 1.099 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1722381886 IISRQTCCSYDSQK-UHFFFAOYSA-N 443.555 1.587 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ncccc1N(C)C 1722397725 NBABJSXDBLQEOA-UHFFFAOYSA-N 431.500 1.978 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(OC)c2)CC1 1722447554 MHUKEPKUJJMJOS-FQEVSTJZSA-N 437.544 1.999 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1 1722469244 XMFIZLVARDLADS-YADHBBJMSA-N 431.537 1.171 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722527567 NZJMRSLTUKIHQJ-HNNXBMFYSA-N 434.522 1.141 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1722696571 BVBARICTGGQEEW-UHFFFAOYSA-N 426.496 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1722697863 SDHMWNKRXYGFJB-UHFFFAOYSA-N 433.472 1.816 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CCO1 1722841385 DDCPQHIRDVDRIJ-NRFANRHFSA-N 435.532 1.420 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)c1 1724549426 DXRORYSMNDKNAB-OAQYLSRUSA-N 440.548 1.741 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1 1729526311 IQAMZEQOAHAWRL-UHFFFAOYSA-N 427.534 1.974 30 10 IDEE COCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730664902 NWFWALVUDXQUDC-SFHVURJKSA-N 438.536 1.919 30 10 IDEE COCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1730926520 HTUNUZUZIVNJFE-UXHICEINSA-N 427.505 1.895 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccc(C)cc1 1740642223 SWQPNUNMJRRWQN-UHFFFAOYSA-N 429.528 1.951 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(C)nn2C)CC1 1740705644 KGXOYWOIEIKSDC-LJQANCHMSA-N 425.537 1.576 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740786515 GJQURNIMNPWVJE-LJQANCHMSA-N 432.569 1.265 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C(C)=O)CC1 1740937545 IWUSINIEDIMZTE-HXUWFJFHSA-N 442.564 1.774 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740948076 TUWVGTRDGZBNMG-NRFANRHFSA-N 425.581 1.681 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740955409 UAIRITBNQGGBRN-ZIAGYGMSSA-N 449.533 1.234 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1741477281 YKRRSJPLSLAWNN-UHFFFAOYSA-N 443.577 1.647 30 10 IDEE Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1742750322 KTJVXMJYKUNZOJ-VHEBQXMUSA-N 443.895 1.841 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 1746947433 FLURPTUYNRSRAK-PDDLGQBUSA-N 425.489 1.746 30 10 IDEE CCS(=O)(=O)NCCCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747432190 AMXNQWFFCKFPCI-UHFFFAOYSA-N 446.581 1.324 30 10 IDEE CN(C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCSC1 1747580873 DKQNWJQFMCFUJA-APWZRJJASA-N 438.623 1.357 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCCNS(C)(=O)=O 1747731368 STLDFHSYDYLYSH-UHFFFAOYSA-N 439.545 1.711 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1748143489 JOEFRBWBEBABPN-JOCHJYFZSA-N 439.520 1.217 30 10 IDEE COc1cc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc(OC)c1 1748533260 VUGBMNLPJYXJLQ-FMQUCBEESA-N 426.477 1.767 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1748697890 ALAJTFSIIUQGFR-WMZOPIPTSA-N 449.581 1.486 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748812367 UHXZKNQKDKNFIX-JTSKRJEESA-N 443.573 1.908 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1748819308 MSPLIJLSWYBZFF-IBGZPJMESA-N 443.573 1.707 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCCNS(C)(=O)=O 1749079147 ZAZYQOUUWHKHPE-OAQYLSRUSA-N 447.561 1.797 30 10 IDEE C=CCn1c(N2CCC(N(CC)S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749643511 RIZOCWSOPVAXTH-LJQANCHMSA-N 427.571 1.367 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2COCCO2)c1 1750191659 AKRMGXAXCBRXTN-QGZVFWFLSA-N 431.518 1.504 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760151871 QSDBAYRMEWWGMA-UHFFFAOYSA-N 432.532 1.853 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1760187452 JTHDISDUFCBARZ-YBXZHIRMSA-N 436.578 1.614 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760189339 HYCYCENNNXYZLQ-WIYYLYMNSA-N 431.562 1.442 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCN(C)S(=O)(=O)CC)CC1 1760258197 ICYXCYSTBNVQLW-UHFFFAOYSA-N 444.605 1.680 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCCCC2=O)CC1 1760267920 GCVMNJIEJDFXBT-UHFFFAOYSA-N 449.559 1.709 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1760282307 ZVBXBOHPZZNPRZ-MRXNPFEDSA-N 439.607 1.029 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(C)C 1760296185 YXYBDSGXMICJCT-YLJYHZDGSA-N 439.582 1.418 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1760306152 CPZOEPQSOSRPKI-CHWSQXEVSA-N 447.359 1.258 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC3(C2)OCCO3)CC1 1760396538 FREMCLDGDQJDMO-WBVHZDCISA-N 439.582 1.834 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1CC 1760450262 HJQWCGLDXMGGIC-KSZLIROESA-N 441.598 1.829 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CC1(O)CCS(=O)(=O)CC1 1760480051 JIBNIFBEJJAQHQ-UHFFFAOYSA-N 429.546 1.844 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760525476 HIEIAUJBLZXMFW-SFHVURJKSA-N 425.537 1.309 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1760700719 IFWQSOBLJQKDAH-VVWQDTPRSA-N 447.561 1.614 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCCn2ccnc21 1761473885 VJMFNPWKXDHAGO-NVXWUHKLSA-N 446.581 1.792 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CC1 1767228612 FVFUBODOKBLKBX-QFIPXVFZSA-N 441.536 1.456 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1768587475 BBNDZADKOBHDEA-UHFFFAOYSA-N 449.519 1.379 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1771272956 ZBRCZDKTPLEDIC-VGSWGCGISA-N 427.505 1.864 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H](C)O1 1771503980 BAQRDLUSMGBNSH-CALCHBBNSA-N 435.536 1.539 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CC=CCO2)cc1 1771533955 HHBIRLZZVUVXHO-SFHVURJKSA-N 429.502 1.309 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1772564634 HVHBWKZSXZJKBB-INIZCTEOSA-N 427.477 1.560 30 10 IDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](Cc1ccccc1)NS(C)(=O)=O 1851177032 GAELTEGGMWTXKA-CZUORRHYSA-N 435.937 1.781 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1851985371 FYVIUIBWUYXDOC-ZIAGYGMSSA-N 425.555 1.035 30 10 IDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)CCc1ccccc1 1856331759 CCJLPMOBLRCJCM-KRWDZBQOSA-N 425.510 1.733 30 10 IDEE CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(C#N)CCCC1 1857955812 IFEYNLFUKDMFBZ-UHFFFAOYSA-N 449.529 1.549 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1S(=O)(=O)N(C)C 1858298317 KLGOHXBKUARTJV-LJQANCHMSA-N 440.525 1.762 30 10 IDEE COc1ccc(C#N)c(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c1 1865987956 DLOVPLICRPPZEO-SFHVURJKSA-N 441.465 1.605 30 10 IDEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870368175 KGXFXGLMFJUTJD-UHFFFAOYSA-N 441.532 1.869 30 10 IDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccncc1 1874210160 MOQCUHGBWAOHAT-SCWWFSKWSA-N 435.513 1.649 30 10 IDEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CN(c3ccc(OC)c(OC)c3)C(=O)O2)cs1 1891372286 VBTSPHDEJDVFNQ-CYBMUJFWSA-N 446.485 1.831 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1892090572 HRLZFKKRMJZUHL-RTWAWAEBSA-N 448.552 1.845 30 10 IDEE C=C(CNC(=O)[C@@H]1[C@@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2084667523 GKSCXGFHZSANOD-PMPSAXMXSA-N 440.346 1.940 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124542811 JVMSWUXJFBEKQF-CABCVRRESA-N 448.329 1.644 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2247822401 DXEQXCGHXIRDKW-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CCOC1 2255751011 SRIZDTYDNSWAHW-KRWDZBQOSA-N 447.366 1.699 30 10 IDEE Cc1nc(C(=O)N(Cc2ccccc2)CC2(O)CNC2)c(B2OC(C)(C)C(C)(C)O2)s1 2255813463 SXTKLMCBCZEFOJ-UHFFFAOYSA-N 443.378 1.727 30 10 IDEE Cn1cc(C(=O)N[C@H]2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255826107 KKTXTNBKAVOXBT-ZFWWWQNUSA-N 434.346 1.752 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2267128221 WPDYLGSRFNUFCE-JKSUJKDBSA-N 446.357 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[C@@H](O)C1 2267266412 CMAJYXYQGZVQSK-WMZOPIPTSA-N 446.353 1.943 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267503692 HUBQPQDJZFPGQA-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE Cn1ncc(C(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267505437 IMXQVASUPLQZGA-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267520051 JXOXDLPYUARCKF-CABCVRRESA-N 448.373 1.918 30 10 IDEE C#Cc1cccc(N(C)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 2286056495 BGAQSGUMLMHMBV-LJQANCHMSA-N 430.482 1.902 30 10 IDEE COc1ccc(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2317461275 AMLYXXKAQAFAEP-OAHLLOKOSA-N 436.314 1.819 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1cc(Br)c(OC)c(OC)c1 2323791125 OYPWVTCHOWWLDY-ZFWWWQNUSA-N 439.306 1.744 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n2)o1 59843813 UJNBPVMMFBFHQU-CNHKJKLMSA-N 431.438 1.513 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccncc1 102746248 OCFUBTKEFHFCFR-LCPUNJGISA-N 439.516 1.576 30 10 IDEE N#Cc1cccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccncc3)C3(CCOCC3)C2)c1 169756668 FSCYSLDZHKAKMJ-HXUWFJFHSA-N 440.525 1.687 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@H]1CCCO1 447269955 FBGOQDGLEOWNAY-CYBMUJFWSA-N 437.974 1.831 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C[C@@H]1CCCO1 518595973 OKZJDXZCUVVASS-AWEZNQCLSA-N 433.480 1.396 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)CC1 522684227 VGOITXJSGMJEIO-INIZCTEOSA-N 437.491 1.496 30 10 IDEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 531386138 TYNIGQIUGYMQTD-UHFFFAOYSA-N 427.511 1.639 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COC)o2)c1=O 532207160 AUOHDXNTBDPGPM-UHFFFAOYSA-N 430.526 1.948 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCc3ccc(OCC(=O)NC4CC4)cc3)CC2)n1 545467870 LSGILIIDZMEDSS-UHFFFAOYSA-N 448.527 1.685 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC(NC(=O)C3CC3)CC2)n1 548632546 IIBBVGSOKDNOJX-UHFFFAOYSA-N 440.891 1.853 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N(C)CCOCc3ccc(C#N)cc3)ccc21 554725882 IPSOJXSJPSCGHA-UHFFFAOYSA-N 434.496 1.872 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CC(N)=O 577129433 NNYOCQJOGCQRKO-LLVKDONJSA-N 440.550 1.432 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)CC1 728532343 VULWINCAXBIMPF-FSSWDIPSSA-N 436.556 1.354 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCc1ccc(F)c(Br)c1 732448227 HPRDMRJIESQQEK-FOCLMDBBSA-N 425.258 1.956 30 10 IDEE N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCN1C1CC1 732664154 LKEZSZDFFXYBMR-CQSZACIVSA-N 446.451 1.452 30 10 IDEE Cn1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O 733679692 MIHRTBRSVSXNSV-GOSISDBHSA-N 442.497 1.521 30 10 IDEE CO[C@H](C)c1noc(CN(C)C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 747933120 JEZHRCPXJGABSQ-UKRRQHHQSA-N 449.533 1.889 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)cc1OC 748067103 YRPOPZVLRHAWMK-UHFFFAOYSA-N 442.537 1.836 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cn2)c1=O 758050373 RFBIZCJJSCBEHD-UHFFFAOYSA-N 428.311 1.573 30 10 IDEE COCCN(CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(=O)OC(C)(C)C 760688642 FBUIMYNXMLNYLK-UHFFFAOYSA-N 432.525 1.668 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C)C[C@@H]3CNC(=O)OC(C)(C)C)cc2C1=O 763474134 WKPBWNITEUEEJU-INIZCTEOSA-N 442.516 1.750 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCC2CCC2)c1 765447221 USNOVOBGLPBMND-PTGBLXJZSA-N 436.534 1.371 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cnn(C)c2C2CC2)c1 770778798 RSGABAIHMAWQFQ-JJIBRWJFSA-N 444.517 1.688 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 780827513 HJCPBUGQUNAFJO-MEUCICPISA-N 439.451 1.225 30 10 IDEE N#Cc1cccnc1NCCNC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 781930184 NYZNVQHWEBDRND-SFHVURJKSA-N 428.518 1.981 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)Cc1ccc(F)c(F)c1 791488670 JIQDVYCSXFXYDN-AWEZNQCLSA-N 437.468 1.361 30 10 IDEE C#CC[C@@]1(C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCCN1C(=O)OC(C)(C)C 808595415 PVHNAQDELIWMFZ-QRQCRPRQSA-N 435.521 1.448 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)c1ccc(F)cc1 812935373 BGPMNKKLQZUVIQ-GOSISDBHSA-N 430.505 1.940 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1cc(Br)ccc1I 820186096 UZNHPQVOYZNALJ-VIFPVBQESA-N 425.020 1.774 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)C1CCOCC1 1131469751 XWTSQQAAZXCQGC-JKSUJKDBSA-N 438.502 1.154 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O 1142284428 AYPVMVXEBBNAQF-SCLBCKFNSA-N 430.461 1.286 30 10 IDEE CCOC(=O)c1cn(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1156464913 BWVFMMZNBRAXNO-AWEZNQCLSA-N 429.864 1.754 30 10 IDEE C#C[C@@](C)(CC)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1158491706 GNIJBRIOFLNELW-QFIPXVFZSA-N 446.573 1.928 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3nc(O)n(CC(C)(C)C)c23)CC1 1175522371 HFVKSPJPDGCEQY-UHFFFAOYSA-N 433.534 1.013 30 10 IDEE C#CCOc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1222260672 OQBRADUBYOYADB-UHFFFAOYSA-N 443.525 1.719 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN1C(=O)OC(C)(C)C 1234106029 HYXWBKROKGZEBF-NXEZDXNNSA-N 426.539 1.354 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)c1 1235044994 IEVLSFOSKDJNHR-FPOVZHCZSA-N 449.559 1.778 30 10 IDEE C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1248552291 HRYYKHNRZRGWCO-OAHLLOKOSA-N 433.513 1.350 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCCC1=O 1286367079 DWZITCKNEMCGRM-UHFFFAOYSA-N 433.520 1.783 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1286386094 UTXOPMABKXUSSE-FGTMMUONSA-N 430.578 1.877 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1286430408 HKUUKKDRSRZWBC-MRXNPFEDSA-N 427.530 1.558 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1286431938 UBTKVFMCXHLYCB-JXFKEZNVSA-N 432.571 1.612 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2C[C@@H]2C)n1 1286469646 KXNGQPBUUDBIKX-FUHWJXTLSA-N 434.504 1.989 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@@](C)=O)CC2)CC1 1286478544 GDCLTSDGVXUCDF-SSEXGKCCSA-N 433.528 1.813 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(C)(C)O)CC1 1286486822 PWVGYUCLESCJLF-UHFFFAOYSA-N 432.569 1.323 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1286512438 UZOCGDVVARRXPS-KBPBESRZSA-N 447.542 1.750 30 10 IDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286592974 FNPOKDAKIRTBGL-NHCUHLMSSA-N 432.613 1.979 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(F)cc1 1286787495 GRHYGLTXYIPWJK-MRXNPFEDSA-N 435.525 1.648 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1286788115 QJUDPEZWUBWPPT-GOSISDBHSA-N 445.593 1.909 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286814870 HGMZJGPULJLDDP-HNNXBMFYSA-N 443.529 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286821373 JGILNYRQFQSCBP-UHFFFAOYSA-N 433.534 1.109 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2C[C@@H]2C)C[C@H]1O 1299420845 MGGUQDQKEJNSQC-ITQYTPKQSA-N 425.489 1.745 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCS1(=O)=O 1300287114 UJTSKJKCUXMBDO-QAPCUYQASA-N 440.533 1.346 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1300308608 CZYRRHPIUDJTLX-UKRRQHHQSA-N 438.579 1.136 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1300371050 LZVWYFWUJVOWHF-HNNXBMFYSA-N 440.470 1.709 30 10 IDEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424869 NNKUGMIRLBOMBJ-SXWKCWPCSA-N 431.581 1.889 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300487241 IIYWSXKGPLWRJO-RTBURBONSA-N 444.605 1.943 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1300490010 XHYJVKGWJMBXGY-KRWDZBQOSA-N 447.948 1.967 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1300579395 UVGUCZHPTRVUTQ-INIZCTEOSA-N 441.504 1.119 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(F)c2)CC1 1300698481 SZZMGGIDZUFWTF-LPHOPBHVSA-N 426.496 1.591 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=C)Br)CC1 1300710471 CBZVRXPMJNEFGU-UHFFFAOYSA-N 449.353 1.389 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2nnc(CC)s2)CC1 1300719638 JYGZBKHPUDWESM-UHFFFAOYSA-N 436.545 1.768 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1300873367 JAQDUTCGNIIOKP-XDNAFOTISA-N 440.614 1.400 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1300996305 COCXGITWVHBJMR-UHFFFAOYSA-N 439.568 1.793 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1301151977 TULBOGSHCLZNDC-IAGOWNOFSA-N 441.598 1.686 30 10 IDEE COCC1=CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301195568 WCSZAIAHGMTYBE-IGGDJGDASA-N 428.493 1.091 30 10 IDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1301270086 CAFGPHRCOPYRKH-QAPCUYQASA-N 433.475 1.816 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1301426657 UPXFGPBORNGVNQ-UHFFFAOYSA-N 438.532 1.374 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1301467148 LFHQPQRYGCVDHE-UHFFFAOYSA-N 430.475 1.678 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301491112 LQKQYWOZFZTKMF-UHFFFAOYSA-N 437.479 1.578 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1301579163 OUYQIPCIDHHZAM-HNNXBMFYSA-N 442.545 1.349 30 10 IDEE COCCOC1(Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1302124376 QZNNVLDMHHPPLF-NRFANRHFSA-N 444.511 1.918 30 10 IDEE CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NCC#CCN(C)C)n2CC(C)C 1302294834 BOKIIVSGUWEVCM-UHFFFAOYSA-N 430.553 1.369 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(OC)cc3)cn2)CC1 1302924844 UDVLXEQYUUOLKJ-UHFFFAOYSA-N 430.486 1.108 30 10 IDEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1302982532 LRJSFWDDAYAJAV-QGZVFWFLSA-N 429.546 1.993 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCc4c(ccnc4O)C3)n2CC(=O)NCC(F)F)cc1 1302988799 AGWPMPHBLFIFKJ-UHFFFAOYSA-N 439.426 1.861 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1304763959 HZSSSXVTHNSYIF-ZVBNFSSVSA-N 442.499 1.460 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C1 1316532487 PGTHFXMEATVSPD-RLFYNMQTSA-N 446.449 1.877 30 10 IDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)CC1 1316540837 OLRRTWZXFJLCNS-UHFFFAOYSA-N 429.569 1.757 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCCO1 1319517153 KRFASDSCNIJKGQ-SFHVURJKSA-N 448.548 1.999 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCCS1(=O)=O 1358876919 SYWBCPULKIKGEN-LBPRGKRZSA-N 441.355 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1358968151 AFGKHARTJRHGQZ-IBGZPJMESA-N 430.512 1.640 30 10 IDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358996777 RFYFFGGUISWNMJ-PMACEKPBSA-N 429.590 1.898 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(CC)CC)CC1 1359043970 PIZYPAZQYFWGEP-QGZVFWFLSA-N 426.569 1.375 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359077727 JQDRTDLQWCKWFG-GUYCJALGSA-N 428.331 1.770 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccn1 1359113529 KPJUIIYYHBQTGK-GOSISDBHSA-N 434.566 1.651 30 10 IDEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O 1359209108 BIESKCLFVBQWKL-UHFFFAOYSA-N 431.360 1.987 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CC(F)C1 1359298490 BJQXTPDRPIPBRB-UHFFFAOYSA-N 439.495 1.679 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](NC(=O)CC)C1 1359302819 VDUPZYLQAURXGC-SFHVURJKSA-N 440.548 1.675 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1359304129 NADMRMWRQIIRHZ-SFHVURJKSA-N 436.520 1.495 30 10 IDEE CC(C)(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1359514912 CNBCGHUMHJDQFW-UHFFFAOYSA-N 445.593 1.319 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4cc(Cl)nnc4C3)CC2)cc1 1437093455 ZYUXFRNTXAJARP-UHFFFAOYSA-N 445.932 1.987 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCO4)CC2)c1C#N 1447774620 BVJOGWCKZVAVKN-KSFYIVLOSA-N 444.536 1.275 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1464507665 SVQCIGBIYOQXNK-IKGGRYGDSA-N 428.551 1.488 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1464664564 CQZMTHICJJPQRA-JKSUJKDBSA-N 428.961 1.963 30 10 IDEE C=CCOC[C@H](NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1467514980 PBXFFWWOUHRAQJ-CVEARBPZSA-N 437.518 1.000 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)c1 1469500019 KCQHKGSBRPVOHS-VQTJNVASSA-N 444.509 1.885 30 10 IDEE N#Cc1cn(CC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(=O)nc1O 1470109004 HYBLSQNBAMUFML-LJQANCHMSA-N 429.436 1.334 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1472371665 WQCWABXQLZRJCF-MRXNPFEDSA-N 443.504 1.631 30 10 IDEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1503579374 DIZIPPZFASXDQE-GOSISDBHSA-N 432.488 1.476 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1505021695 YIJYFQALZZJHPH-HCLVMJGWSA-N 441.532 1.988 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCOC2)c1 1507552083 KCHABAQBSPDUFE-DEOSSOPVSA-N 446.511 1.472 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507633646 UHAORMLFHSTZOO-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1507660491 VSGDVLGGSVKVEH-RBUKOAKNSA-N 434.610 1.473 30 10 IDEE C=CCCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507953130 GNEZQWATQPOLAT-HXUWFJFHSA-N 441.598 1.757 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(OC)C1 1508071469 JQUNOMITAGVIFV-UHFFFAOYSA-N 432.912 1.389 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCOC2(CCOCC2)C1 1508139266 FIDIMANWJDRGEN-UHFFFAOYSA-N 447.561 1.635 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1508160869 IWOCDGBLSJWGOE-MRXNPFEDSA-N 431.566 1.826 30 10 IDEE C=CCSCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1508167370 IHOFLCSKGJWKMD-OAQYLSRUSA-N 445.593 1.966 30 10 IDEE CCN1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515857243 YJQXIYSCSPQTIM-MISYRCLQSA-N 431.585 1.663 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517125688 UASYGVGQLZJNFO-LQTLECTNSA-N 447.499 1.816 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517642489 DRJXMKHITTTZEH-AMGRQBIBSA-N 428.493 1.146 30 10 IDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1519170553 GIFBERYLTSGMAZ-KRWDZBQOSA-N 433.534 1.351 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1539170757 BQJWLTVGHWQMBV-UHFFFAOYSA-N 449.559 1.855 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539193602 GPHLKYDGIMUXRS-IBGZPJMESA-N 434.548 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1539291821 YCWWBQLXOZMKSK-IBGZPJMESA-N 426.542 1.981 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539337732 SFCYNZHOHYPPFR-JOCHJYFZSA-N 442.541 1.178 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[S@@](=O)CC)CC1 1539484363 MKMPKLQFGZRJBF-PMERELPUSA-N 448.618 1.368 30 10 IDEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539921519 YVLPCCFORWZFBV-QGZVFWFLSA-N 440.523 1.757 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1540894150 RMFWAAHSENKELU-RBUKOAKNSA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCNC(=O)CC1 1540908686 LOUCGIFELUBXGC-UHFFFAOYSA-N 447.561 1.347 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541994352 RQVQDLCUYWYNTQ-GWOGKKTRSA-N 425.493 1.786 30 10 IDEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1542800234 DMSHCTIOUAAONG-LBPRGKRZSA-N 439.490 1.522 30 10 IDEE CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1544403239 XOIAAJLEENRVDK-MYVXHDQYSA-N 427.552 1.228 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1547321250 RVAFSKBLJYGJBP-SFHVURJKSA-N 449.519 1.640 30 10 IDEE CO[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1554590604 ASBDFGSUNGYVEZ-ONIAQPFYSA-N 432.550 1.667 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H](C#N)CO)c1ccccc1I 1556607500 KWXTWGXIHCFUMJ-GXFFZTMASA-N 445.257 1.858 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@]3(CO)COCC4(CCC4)N3C)n[nH]2)c1C 1557544150 NBOLKWOYLJAPLT-JOCHJYFZSA-N 428.537 1.422 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)C2)nc1 1558464059 CQAMULSVYCKGBO-LPHOPBHVSA-N 435.463 1.615 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC1 1563915776 DQISHZUHIWWHAT-UHFFFAOYSA-N 446.495 1.778 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 1566409415 DAKWOOZSHJQZDM-MRXNPFEDSA-N 443.552 1.374 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587662952 RZGKADFEKZIKKO-DOTOQJQBSA-N 439.486 1.861 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1587857057 VDWCZOGKGWMCRX-OAHLLOKOSA-N 447.521 1.540 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SCC)c1 1588138226 ALQFLGGKJGIHGD-QGZVFWFLSA-N 429.571 1.808 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1588139568 PFMKLAVRKBETNP-INIZCTEOSA-N 438.513 1.009 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ccccc2)CC1 1588742782 UYFCNRMWFCDKTF-MSOLQXFVSA-N 430.578 1.447 30 10 IDEE C#CCSCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1589124943 FNOQMPOUFKLDNU-SFTDATJTSA-N 433.578 1.544 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1589494600 NBDMHTIPVQDIJX-TVFCKZIOSA-N 434.541 1.197 30 10 IDEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1593769817 SFERGZSPCNTBIK-IBGZPJMESA-N 443.548 1.979 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1594497127 APAFKXJQGNUGNY-IXDOHACOSA-N 441.598 1.827 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1595467134 QKKLEKMUPXJGSM-QGZVFWFLSA-N 426.525 1.163 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1595772552 CCGUSHDAALXXPF-OAQYLSRUSA-N 443.529 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595776763 FESGVBNEFLCGHQ-QGZVFWFLSA-N 449.558 1.041 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1595933974 QEANIHUQZVEFFT-LEWJYISDSA-N 438.532 1.804 30 10 IDEE CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1598255446 ATUNXKKKCNRCAP-IBGZPJMESA-N 429.569 1.611 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613239819 IVXBHNDMYYMWOJ-DSGGYQJVSA-N 443.552 1.765 30 10 IDEE CCOCc1nnc(N2CCOC3(CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616966523 DQHYJHDDPOHJSJ-VXPUYCOJSA-N 444.536 1.881 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 1621626550 KSDUPRLDTPOVLI-UHFFFAOYSA-N 432.523 1.566 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1624906928 YCPVVNMDQNLTAP-CQSZACIVSA-N 425.850 1.566 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C(=O)OC 1626188091 PQVVBCFZGUJMHT-OAHLLOKOSA-N 443.319 1.528 30 10 IDEE N#Cc1ccc(N2CCC(C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)CC2)c(F)c1 1627879817 GKXUUPLKRGRKPN-UHFFFAOYSA-N 435.521 1.720 30 10 IDEE CN1C[C@@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)N(C(=O)OC(C)(C)C)CC1=O 1631965016 VYHUSXFSWRLEAK-KSFYIVLOSA-N 427.505 1.543 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1c1cnn(C)c1 1634749198 ACEWFNZAZGLJCY-CRAIPNDOSA-N 429.521 1.681 30 10 IDEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 1635737212 ISROETTWLOJEML-UHFFFAOYSA-N 428.308 1.441 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1639841033 XTXGYONOGOKEHN-QGZVFWFLSA-N 430.482 1.763 30 10 IDEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1640585525 UIWYJRYRWKFYLW-MRXNPFEDSA-N 425.551 1.078 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccccc4O)o3)CC2)cc1 1652861895 NIANLPKWVBRLKU-UHFFFAOYSA-N 425.470 1.820 30 10 IDEE COc1cc(OC)c(NC(=O)CCN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1Cl 1654974606 FWVRFQAVDOQIRC-KPZWWZAWSA-N 427.910 1.556 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3c(cccc3C(N)=O)C2)CC1 1655175692 MKCPMKWCDQWCRE-JOCHJYFZSA-N 435.503 1.692 30 10 IDEE COc1ccc([C@@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1660309174 AKDSENRWIVTEEO-FIKGOQFSSA-N 433.530 1.237 30 10 IDEE COC(=O)c1cn([C@@H]2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)nn1 1663247015 CECWQFSGAOUIQX-LLVKDONJSA-N 440.279 1.335 30 10 IDEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1666425446 BMVAGFHUMXNWPZ-RDJZCZTQSA-N 441.575 1.972 30 10 IDEE C[C@H]1C[C@H](CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CN1Cc1ccccc1 1679146344 VQYKHKDRPFELDX-UTYWTXRGSA-N 430.574 1.867 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689986223 LDZCFJIPEAAPJG-NSHGMRRFSA-N 445.589 1.971 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCN(C(C)C)CC1 1690030114 ORSLLHFQSACSJM-PMACEKPBSA-N 429.565 1.310 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1690137459 ZMYIURZHSZAMSR-HSZRJFAPSA-N 426.565 1.552 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 1690174586 FGBGCNFUOVDGAI-IRXDYDNUSA-N 426.608 1.798 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1690206414 QMSOLWQEBANFTG-QFBILLFUSA-N 442.607 1.387 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690697015 NHUSLJVRAQLMRP-MSOLQXFVSA-N 446.577 1.854 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1696838793 GADOFAMMDFUNPN-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1698306293 CUPQYAPPKYHXMK-IXDOHACOSA-N 428.518 1.017 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705489266 MKZZHPXETVFYDQ-NJAFHUGGSA-N 425.516 1.483 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1705495459 QCRKHEMIDGVWDE-HRCADAONSA-N 427.596 1.355 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1705559045 PFYVHRMAMKNKCW-BZUAXINKSA-N 425.530 1.181 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1705580429 JBHDNVOTBHZYAM-XMMPIXPASA-N 443.511 1.226 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705702328 GWFWAIPWUKANFM-JZXOWHBKSA-N 429.525 1.937 30 10 IDEE C=CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1705910269 XKCKXJNZCIFWEE-FQEVSTJZSA-N 434.500 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1705937384 RZKZTIXQWQBMLP-HNNXBMFYSA-N 445.467 1.632 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)C1 1706019785 DVWMUUQSFUJANW-IBGZPJMESA-N 447.499 1.945 30 10 IDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1706204287 CWHBAEMZKARRHQ-UHFFFAOYSA-N 426.477 1.578 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1706743873 NICFTRXZVCWDEE-OCCSQVGLSA-N 425.449 1.400 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)CC1 1706936800 BOXGQEUOMGBWLY-RRFJBIMHSA-N 426.518 1.272 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCCN(C(C)=O)C1 1709141653 ADGHARDEYUCLLP-WMZOPIPTSA-N 437.552 1.476 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCCCS(C)(=O)=O 1711072393 BKTWRTQEVZMPPY-GOSISDBHSA-N 444.561 1.952 30 10 IDEE COCCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712598758 LVNCZTMLAVGHAF-JLUOLNIDSA-N 444.536 1.704 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722276700 IUUIHKXZLGMJHG-ZHRRBRCNSA-N 449.552 1.682 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCCC2)c1 1722309758 PNOLHQIJBPZKRY-HXUWFJFHSA-N 449.559 1.771 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722335147 BMTJKNNPIYKBPK-MRXNPFEDSA-N 425.493 1.338 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(-n2cccn2)cc1 1722344147 HAQLAWRFQMNGFV-MRXNPFEDSA-N 427.534 1.386 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1722349683 XIVKVGPZLANXDV-UHFFFAOYSA-N 427.505 1.704 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCNC(=O)OC(C)(C)C)CC1 1722450597 NJNFCWCEWKBKHO-UHFFFAOYSA-N 448.568 1.695 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722644333 WWUPJKDKMIRQTI-OAHLLOKOSA-N 445.549 1.362 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722694702 FJBBNHTZQUVPHW-GOSISDBHSA-N 440.548 1.997 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCC(C)C)C1 1722727433 OMSZTYUJWQAMGE-CVEARBPZSA-N 425.555 1.081 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1 1723815873 BUPKOFYNECYHJQ-HLLBOEOZSA-N 434.522 1.085 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@@H](OCCOC)C3)n2Cc2ccc(C#N)o2)CCOC1 1728798916 SZXSWLXPYRBPTH-UTKZUKDTSA-N 431.493 1.685 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)CC#N 1729740957 DPLFNBPDUCQTLW-LBPRGKRZSA-N 441.355 1.995 30 10 IDEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1 1730570504 VIWLNUNJQIRGCX-UHFFFAOYSA-N 447.561 1.741 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1730689661 MTDUPRIJKSVOHI-SFHVURJKSA-N 439.564 1.842 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCOC1 1730750813 ROCTVTWLODJTOE-NFBKMPQASA-N 441.532 1.848 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1731187231 KNEWFXIKYLUDPR-KBAYOESNSA-N 428.468 1.342 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCNC(=O)C(C)C)c1 1740564535 QGJDRMJWTAXGQU-GOSISDBHSA-N 438.532 1.610 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740567064 NOSXGTKJDIAUDO-OXJNMPFZSA-N 449.581 1.177 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)=O)CC1 1740569343 CDIJHRQJLVDYPH-UHFFFAOYSA-N 433.520 1.783 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740613785 TWAKQJQGRGHNOM-JOCHJYFZSA-N 446.573 1.774 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740640057 XGDMOHAESMPIDI-IAGOWNOFSA-N 425.455 1.856 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740683434 GTYGNFCRKUWLRC-IEBWSBKVSA-N 446.577 1.563 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)N2CCOCC2)CC1 1740688537 GQFGIQJFTRSMCD-UHFFFAOYSA-N 445.612 1.063 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(-c3ccccc3)no2)CC1 1740689012 NUQBXVJZNSRHLW-UHFFFAOYSA-N 433.516 1.875 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740759856 LZJCPIWXKJPYAD-YXTQBTIXSA-N 441.532 1.605 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740962462 DYUICNGPCCZOSC-VQTJNVASSA-N 441.532 1.586 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1740963372 IVOKLVIDJOPAQY-UHFFFAOYSA-N 438.492 1.987 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740987396 GARMFWJCHVFPNO-HNNXBMFYSA-N 433.534 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(N)=O)CC1 1740988930 UDTWZOVNEZTDSZ-UHFFFAOYSA-N 433.534 1.256 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1741798752 DZPWCZMHVQDKHY-CYBMUJFWSA-N 441.517 1.909 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1748772781 PRDLADFLRZNWSM-MRXNPFEDSA-N 431.566 1.391 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748818857 HICKZBXFJMSWHB-SJLPKXTDSA-N 433.553 1.585 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1748819791 UFSBSHSAESYIHN-OALUTQOASA-N 444.532 1.980 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C 1748846888 LUUUKNYGSICNLQ-PMACEKPBSA-N 431.606 1.764 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCS1(=O)=O 1748875193 MPUKWXUQNCXZDL-GOSISDBHSA-N 433.578 1.627 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)CC1 1748987001 OJWJVYHQJHKBHX-UHFFFAOYSA-N 447.543 1.702 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1748989288 KKWINKZKKLGYAN-UHFFFAOYSA-N 444.605 1.600 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCCN2CCC[C@@H]2CO)CC1 1748994033 UKPKOWLMSZCMIQ-OAQYLSRUSA-N 442.633 1.923 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760140452 NVDVVQOXQNNIIM-UHFFFAOYSA-N 444.543 1.888 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1760165539 VVJMWLMKBSZWNJ-JOCHJYFZSA-N 429.496 1.498 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1760316450 SDEVSZVSVVVIDO-WWNBULGVSA-N 436.582 2.000 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1760514673 KPDFKIDGIUBLQD-UHFFFAOYSA-N 442.520 1.470 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C 1760529218 ZUAHKFAPOKCZIV-HNNXBMFYSA-N 446.512 1.366 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)n2)C1 1760541911 BRFPJUSOICUIFQ-IEBWSBKVSA-N 431.562 1.908 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[C@@H]2C)CC1 1761192509 ISRMZEQKIXYKTF-LPHOPBHVSA-N 435.532 1.646 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1761284037 OVGLOAZTDKOCCX-KFKAGJAMSA-N 441.529 1.195 30 10 IDEE CCN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1766377052 AOZWMNFDOZRCFK-IBGZPJMESA-N 437.548 1.849 30 10 IDEE CCN1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1767062984 BCIJHDFRIJWFJZ-VQTJNVASSA-N 437.548 1.642 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)CC1 1767109376 QTRHSKCYMSLYMF-ZRNYENFQSA-N 433.601 1.624 30 10 IDEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)c2ccccc2c1=O 1767526671 HBTVHGDMFHUFTM-NRFANRHFSA-N 441.467 1.033 30 10 IDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1768935391 VXPUKSRQYKZHJO-JOCHJYFZSA-N 437.504 1.867 30 10 IDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1769068112 KLJWYXCEMLKIRZ-SLFFLAALSA-N 427.505 1.884 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 1769895949 CQZNQIFUZFOWJI-UHFFFAOYSA-N 449.515 1.608 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)(F)F)CCO1 1770746403 DJHKEAIVVUSVJY-CYBMUJFWSA-N 439.354 1.261 30 10 IDEE C[C@@H]1COc2c(C(=O)O[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)cnn2C1 1852505989 UOVCNWCQULSMKN-LPHOPBHVSA-N 426.473 1.720 30 10 IDEE Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1F 1854037653 KZYBNZIBGRDLCE-UHFFFAOYSA-N 429.473 1.998 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1854466495 KWRJSCKRZPZNMR-ZWKOTPCHSA-N 435.521 1.780 30 10 IDEE Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)c1 1854626875 MWOGPQJWPFSNKX-INIZCTEOSA-N 427.482 1.694 30 10 IDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855267710 TYHNPGXTIJMMER-KRWDZBQOSA-N 431.514 1.413 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1CC(=O)N(C)C1 1857019200 OGXPKMPJEFQEMC-HOTGVXAUSA-N 431.514 1.310 30 10 IDEE Cc1nc(Nc2cccc(C#N)c2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868466894 HOHHPIYSSMXQNE-UHFFFAOYSA-N 435.532 1.771 30 10 IDEE O=C(NCCCCCO)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933607 JWDMQHLCZZZLHQ-SFHVURJKSA-N 433.505 1.754 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 1870098174 QJYWRYLTPGVZBA-UHFFFAOYSA-N 430.402 1.865 30 10 IDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OCC)c(OC)c1 1874432427 FNKBSGPACHAXRM-FOKLQQMPSA-N 448.549 1.822 30 10 IDEE Cc1cc2ncc(C(=O)N3CCC(OCC#CCN4CCN(C(C)C)CC4)CC3)cn2n1 1889436544 DARPNGNNBCUDAO-UHFFFAOYSA-N 438.576 1.688 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3nccc(N4CCCC4)n3)CC2)cs1 1889499392 SHQCLCZLOFLZOH-UHFFFAOYSA-N 427.534 1.412 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1985785405 UUBJECBAOHWDAG-LSDHHAIUSA-N 428.530 1.965 30 10 IDEE NCC#Cc1ccc(Cl)c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)n1 2232340328 NLZKQDMDHKZKCK-UHFFFAOYSA-N 432.889 1.473 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2243675742 ABDBPXJPXGSYHM-AWEZNQCLSA-N 426.344 1.549 30 10 IDEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247812824 HMNJWLWPPIMEFN-PMERELPUSA-N 442.347 1.472 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248402485 XQBPOYHQINHAAC-VXGBXAGGSA-N 439.343 1.751 30 10 IDEE Cc1c(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255538543 MCGXBABOFCAFFW-ZIAGYGMSSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255826315 OCTXPOIIAPALNU-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255876926 RUFKAKJJVCBJBC-UONOGXRCSA-N 432.330 1.904 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256882231 HOLPBASRNICAEP-GJZGRUSLSA-N 437.321 1.984 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)Nc1nc(CNC(=O)OC(C)(C)C)n[nH]1 2267216458 RXXKMLWDVTZSIH-UHFFFAOYSA-N 446.317 1.719 30 10 IDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873468 YUCPUKUKSPFUNE-RYUDHWBXSA-N 442.247 1.447 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)O 2269044900 DTQHAZDCQNNJIM-QGZVFWFLSA-N 442.325 1.034 30 10 IDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccco2)c(C)n1 2296610741 DHFNUUOXKPTKMR-LJQANCHMSA-N 426.473 1.830 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC=CCNC(=O)OC(C)(C)C)n1C 2315514831 CUVFQYVJIULCOW-UHFFFAOYSA-N 434.346 1.838 30 10 IDEE CCCN(CCC)C(=O)COc1ccc(C=Nn2cnnc2SCC(N)=O)cc1OC 2321261745 QQNFQYHFIIVPKC-UHFFFAOYSA-N 448.549 1.774 30 10 IDEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1 2328574215 CLPQHRIEWCTXCC-UHFFFAOYSA-N 427.486 1.943 30 10 IDEE COc1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c(OC)c1 2329054539 PIHKFBBRLCJKKD-OAHLLOKOSA-N 433.534 1.986 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CCO)COCc2ccccc2)n1C 2343489678 YZRABJKUFXBNIC-SFHVURJKSA-N 443.353 1.725 30 10 IDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)cc1OC 20292820 XYJDMAYOKLLNLO-UFWORHAWSA-N 434.507 1.642 30 10 IDEE N#CCCN1CCC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 62040741 OKIFPASZOIRZGO-OAHLLOKOSA-N 440.953 1.925 30 10 IDEE C=CCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCN(c3ncccn3)CC2)C1=O 170051251 JSRQCNRPYDKJQE-UHFFFAOYSA-N 432.484 1.523 30 10 IDEE CC(=O)N1CCC[C@H](CCCS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208046584 WRIVBMGLLLIDBB-MRXNPFEDSA-N 437.371 1.588 30 10 IDEE CCCC(=O)O[C@@]12[C@@H]([C@H]3C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@H]4[C@]3(O)[C@@H](C)[C@H]1O)C2(C)C 256078471 FZXHDWWEDNRATG-KSTNETSYSA-N 434.529 1.281 30 10 IDEE COC(=O)CC1(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)CCS(=O)(=O)CC1 439378371 ODHINMXGKAOBGA-UHFFFAOYSA-N 439.559 1.597 30 10 IDEE C=CCNC(=O)CN1CCN(Cc2c(F)ccc(I)c2F)CC1 474112036 YCDAJZFWKAQHMP-UHFFFAOYSA-N 435.256 1.989 30 10 IDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 500827992 NNCGBBUKHKZNSW-QUCCMNQESA-N 435.546 1.615 30 10 IDEE CN1CCCC[C@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 501114407 WJHBXVDBRWFRHP-IBGZPJMESA-N 433.578 1.121 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 508466071 SGWIHHPEJMEFIU-HXUWFJFHSA-N 441.532 1.896 30 10 IDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@@H](C)C1 508911279 HWRZWYNTSBRFFW-INIZCTEOSA-N 433.582 1.581 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]2CCCO2)c1=O 512726638 ZTMQQTSSTPXUPX-INIZCTEOSA-N 428.558 1.814 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 537162583 LOMMJQRWILYNSN-UHFFFAOYSA-N 443.529 1.090 30 10 IDEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cccc(O)c1 545386797 BNJYCIPCORDJOL-RBBKRZOGSA-N 440.475 1.744 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)n1 546893349 NJUQPFWMRUHTTI-UHFFFAOYSA-N 431.430 1.144 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 549685563 OSLKIKZZKINEHU-LJQANCHMSA-N 432.569 1.467 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 730144299 ZEXSCNXSOILBDX-SFHVURJKSA-N 433.578 1.521 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1C 732706039 CFZGYDNQOHZKSF-GOSISDBHSA-N 447.561 1.163 30 10 IDEE Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 734602145 YVVMHBXYSSEQEN-UHFFFAOYSA-N 444.469 1.078 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1 742251225 QCDKXYPWSFHWDT-UHFFFAOYSA-N 432.568 1.973 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 749914555 WLBCTNVLROMKHJ-QGZVFWFLSA-N 428.489 1.880 30 10 IDEE CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cccc(C#N)n2)CC1 760604138 BQTHBIRRIVLZSW-UHFFFAOYSA-N 432.462 1.370 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(c3nccc(OC)n3)CC2)CCCN1C(=O)OC(C)(C)C 764441852 MVAVTJWLPQOVJL-JOCHJYFZSA-N 429.521 1.927 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1Cl 771540863 IOJADJXKFSRBCC-AWEZNQCLSA-N 433.925 1.706 30 10 IDEE Cn1ncc(I)c1C(=O)NS(=O)(=O)Cc1ccccc1C#N 796698468 FHBZRAVDBGGXAD-UHFFFAOYSA-N 430.227 1.156 30 10 IDEE C[C@@H](C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1)n1cnc(C#N)n1 798450736 QMJHFXQLPKPGGG-LBPRGKRZSA-N 439.448 1.024 30 10 IDEE COC(=O)c1c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)sc2c1CC[C@@H](C)C2 798746052 YBNLUKGVYLDEOZ-MNOVXSKESA-N 431.474 1.866 30 10 IDEE CN(CCCn1c(-c2cnnn2C)csc1=Nc1ccccc1C#N)S(C)(=O)=O 803181729 NXRGHXGVAWMWKD-UHFFFAOYSA-N 431.547 1.731 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COC(=O)c2cc(C#N)ccn2)c1 803847441 FRTOMYVNLMCWMN-UHFFFAOYSA-N 446.485 1.788 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 812186770 AMYVTWWRVNOUKV-PMACEKPBSA-N 445.589 1.612 30 10 IDEE COc1cc(C=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)cc(OC)c1OC 1084412255 VTPWMAZZLWYRPB-UHFFFAOYSA-N 449.537 1.143 30 10 IDEE C=CCO[C@H]1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1116573337 GBQKNIFSIFQOTM-JXFKEZNVSA-N 438.546 1.954 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1158826179 RLTNKVIPCLIIRI-NVXWUHKLSA-N 432.420 1.914 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc(O)n1C1CC1 1163843661 QDDULVBAVRSNER-UHFFFAOYSA-N 432.506 1.234 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1171269137 CBRCXTIDVIQWIE-INIZCTEOSA-N 443.525 1.653 30 10 IDEE C=CC1(CC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1175934601 XZYFEQGZJVSLSN-IBGZPJMESA-N 436.597 1.712 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3CO)cc2C1=O 1181429442 HLPFJBNYYAXTKZ-OAHLLOKOSA-N 429.473 1.522 30 10 IDEE CC(C)[C@H](NC[C@H](O)COc1ccccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1194008103 HNCFQNVYJBGMJS-UWJYYQICSA-N 426.521 1.108 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)ccc2OCCOC)CC1 1213773223 LQSCQPPBTBIMNX-UHFFFAOYSA-N 431.352 1.850 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2Cc3ccccc3OCC2=O)cc1 1216704601 AMADAMVUTXDGEJ-OAHLLOKOSA-N 442.497 1.915 30 10 IDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(Br)cc1 1230498592 GIKZBMCPAAZIHT-CYBMUJFWSA-N 436.353 1.480 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1233927474 HLVMUCKYIWRWMW-ROUUACIJSA-N 436.553 1.668 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1286359481 XIIGMFRJXGBJEL-GOSISDBHSA-N 444.561 1.641 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1286369447 QFSBJSLFRWPEHJ-SFHVURJKSA-N 449.559 1.855 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286384756 RRRWYCOKKVKHMA-QGZVFWFLSA-N 428.493 1.586 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1286469788 LKSQHIFZOKQVAA-UHFFFAOYSA-N 447.584 1.429 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)Nc2ccccc2)CC1 1286472385 XJXOLCMWCQCQPW-UHFFFAOYSA-N 435.532 1.298 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286626618 CMUQLTWVBSGTEP-UHFFFAOYSA-N 425.946 1.738 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@@H](C)C2)C1 1286811036 ZBFDJXQCRHVKNK-CEXWTWQISA-N 437.610 1.693 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1288775176 CEIYVJJHABSFJL-QRWLVFNGSA-N 434.566 1.803 30 10 IDEE CC1(C)CN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CCO1 1289042772 FFVNOWRJQHHTPA-UHFFFAOYSA-N 426.521 1.676 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1 1293134784 YBRAVRJUUZUJNF-NTMALXAHSA-N 428.514 1.849 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)C1 1296958454 GCDZQDPSKFQEMZ-UHFFFAOYSA-N 438.532 1.852 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1300419242 IRURMAMQSRQYBI-QGZVFWFLSA-N 439.516 1.885 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300503009 ZPQOZUGUSZAPSY-QZTJIDSGSA-N 431.562 1.753 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1300558977 GQBUVIOSOCFCAV-QFIPXVFZSA-N 438.536 1.226 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@@](=O)CC)CC1 1300690526 CNQWHOWLTCPASG-PMERELPUSA-N 429.546 1.240 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300763004 SXNGMUMKYBILTB-DLBZAZTESA-N 446.577 1.305 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1300831192 SRIHCAIXPKCITD-JTQLQIEISA-N 431.316 1.348 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301490977 AWUMILDYEFDSSL-OAHLLOKOSA-N 436.438 1.752 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1301508763 UELSNMOCJCXWFT-UHFFFAOYSA-N 428.562 1.993 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)C)CC1 1301509691 MBKSJVVUZOIWJB-UHFFFAOYSA-N 431.566 1.102 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1301535028 HFBATZSARNXJBX-HOTGVXAUSA-N 439.520 1.621 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1303635873 JRGIOHVYUDBNLY-JKSUJKDBSA-N 437.504 1.736 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1305626533 CTZLHXIBQKUCIT-HZPDHXFCSA-N 425.537 1.940 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1315019739 ATYNOLBPASJTLL-UHFFFAOYSA-N 430.534 1.214 30 10 IDEE COC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1315801570 AGWFKTWGPKDUKW-IRXDYDNUSA-N 428.541 1.515 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316540575 MAZHVZSOIXAJCL-NHCUHLMSSA-N 442.539 1.974 30 10 IDEE CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)CC#N)CC1 1350181517 WALQWFYDTKAMMD-QGZVFWFLSA-N 449.577 1.338 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1354359767 AJSHBVPPDVEFKF-OLIJMITPSA-N 444.517 1.225 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1358897243 VVTIJTLYCIKHCM-LSDHHAIUSA-N 435.575 1.695 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1358965094 NPRDVRDSHAOFAG-FQEVSTJZSA-N 436.541 1.642 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1359048596 WJKWERROTRUXJJ-OAHLLOKOSA-N 437.533 1.762 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)CC1)C(C)C 1359265410 FATOWFZAQSIQHV-VQTJNVASSA-N 443.596 1.596 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1359280910 IXOSMZYNNFJDEP-QFIPXVFZSA-N 426.521 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(C)=O)C1 1359333961 PHXZMZCTRHEXGH-KRWDZBQOSA-N 437.591 1.636 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(I)cc2F)C1=O 1437487420 DTUSINXWJBQIEO-UHFFFAOYSA-N 431.161 1.346 30 10 IDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1453287694 WPMVBFPYOCSSLH-AITUJVMLSA-N 428.489 1.446 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1454708116 CJJMGUJTVCUDCB-AWEZNQCLSA-N 430.910 1.940 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3=O)C2=O)cc1 1460925525 VZLXBPIOJRGECS-MOPGFXCFSA-N 449.442 1.824 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2O)CC1 1471450555 FLKXOOREYRSPBY-UHFFFAOYSA-N 429.498 1.197 30 10 IDEE C=CCC[C@@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1472562127 SFIPDMMRJLURJG-AWEZNQCLSA-N 435.502 1.018 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1=O 1476567203 RVUQSEOJRWOJPW-YJBOKZPZSA-N 446.504 1.245 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](COC)OC 1499327895 BUIUXIDYIGJJHN-QZTJIDSGSA-N 428.493 1.105 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCOC2)c1 1507548842 WMISKOCIUMHOFM-GOSISDBHSA-N 438.532 1.899 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507632598 NYTCMXJXBMHTNB-INIZCTEOSA-N 432.550 1.751 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507634587 ZOECXINJGOTASK-QZTJIDSGSA-N 438.594 1.862 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507873873 GEAWWRCVCPKMNH-MAUKXSAKSA-N 447.989 1.589 30 10 IDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507965439 FWIYLMSPOLPGNY-GOSISDBHSA-N 441.536 1.543 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508085603 VUAGULXEZYHJLP-SFHVURJKSA-N 430.578 1.391 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 1508274919 HTMIRBMZMVJUMF-UZLBHIALSA-N 425.512 1.775 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(N(C)C)nc1 1516537642 CLLHUZMJJDUFON-UHFFFAOYSA-N 434.504 1.859 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1519149971 CPPCJPJKARILFC-GOSISDBHSA-N 449.519 1.423 30 10 IDEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1520740104 QARRWANPTKCJTM-WBVHZDCISA-N 427.509 1.906 30 10 IDEE C[C@H](Sc1ncccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)N1CCCC1 1537006202 SCSZVMFXDPEGKP-AUSJPIAWSA-N 448.570 1.195 30 10 IDEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCO[C@@](C)(C#N)C3)c2)CC1 1538538069 LOHIQNGBQRXMEE-IBGZPJMESA-N 440.953 1.421 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1539266211 NOWQUPMISSMYSJ-OAQYLSRUSA-N 435.528 1.974 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539271721 IJMPNZOLRBYSAK-LJQANCHMSA-N 425.558 1.532 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N2CCOCC2)CC1 1539462367 UKNWOVVYVAHUHN-IBGZPJMESA-N 442.539 1.472 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 1539670313 ZZTLJBOJUFZARD-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1539744057 CJCSOOSPBHMRCT-HNNXBMFYSA-N 437.504 1.888 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539829323 WUPGMUJNTNZXIF-ZWKOTPCHSA-N 440.614 1.402 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCSCC2)CCCC1 1540047364 HQEJBSGOWBJRIW-INIZCTEOSA-N 442.655 1.872 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540866593 SOJLRGWOMSXVMD-ZBFHGGJFSA-N 430.896 1.835 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540870151 GCLNLOLGYMVBHK-SFHVURJKSA-N 439.520 1.179 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cccnn2)CC1 1540872336 LOESPFLYOUTVEV-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2CCOCC2)CCO1 1541073734 CQNHJAYWCWCXOI-NRFANRHFSA-N 438.532 1.975 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1541799943 QCJPOCINYKGKFG-VLIAUNLRSA-N 430.534 1.565 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545868580 SSUJQQOEZVHUNN-HMWBCQRISA-N 429.525 1.569 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC 1547548290 HVLUERJKHCEWCY-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2ccco2)N(C)C)CCOC1 1547917948 CRRFVBPIGMVBED-LLGFUMIMSA-N 430.509 1.555 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1555280293 FUZGDNKJIPHSSW-ROUUACIJSA-N 442.495 1.914 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 1557384420 ORKBAPZRGOYTFA-IBGZPJMESA-N 446.529 1.756 30 10 IDEE C#CCC1(O)CCN(C(=O)CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)CC1 1559027570 FJSDVCXPKGZJML-UHFFFAOYSA-N 437.525 1.699 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]21 1564416705 ASNQEHZSZQRVJO-TWMKSMIVSA-N 427.567 1.874 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1565332517 WPGQPVWPGKWJHY-UHFFFAOYSA-N 427.530 1.821 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@H]3CCCN(CC(=O)OC(C)(C)C)C3=O)CC2)c1C#N 1584061889 MSJRSBDIOSXPKV-OAHLLOKOSA-N 447.561 1.552 30 10 IDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1587803572 GNIYTXANGGQTRS-UHFFFAOYSA-N 438.598 1.470 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(F)c1)N(C)C 1588637962 LOVAJMXKZKOLCV-RBUKOAKNSA-N 428.512 1.757 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCCC2)CC1 1588890530 BIMKVOQRDOPXDF-HSZRJFAPSA-N 445.564 1.201 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(N)=O)C1 1589581736 WCDCFSLEWXJVFX-JNSBCPHESA-N 433.553 1.685 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1594680224 PBWWQGXKRXMNEF-IAGOWNOFSA-N 426.587 1.013 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCO[C@H]1C 1594896203 UOGFWKCFUQHDDV-YWZLYKJASA-N 435.550 1.358 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnc(C)s2)C1 1595675054 WVFGOANTIBPWHC-OCCSQVGLSA-N 426.568 1.483 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(Cl)ccn1 1595755522 XVSKLIRVZSQFJM-UHFFFAOYSA-N 440.957 1.702 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)C(C)=O)CC1 1595796560 AISRRVNLGBMDOR-QGZVFWFLSA-N 439.582 1.220 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(Cn2ccnn2)CC1 1595831673 VPBFBBCCXXAARL-QGZVFWFLSA-N 435.554 1.239 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 1595861763 SHFDTKJQALAKMS-NRFANRHFSA-N 425.466 1.791 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595883882 CNKDAOQXTSXTQN-SFHVURJKSA-N 435.594 1.776 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCC[C@H]1C 1608452782 ALQRNOQOVHFBOB-OAHLLOKOSA-N 438.536 1.436 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)C1 1611765047 DETPCIBQHHHMAB-FQEVSTJZSA-N 434.566 1.469 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1620346813 IJAYHENVWRWGAV-QVKFZJNVSA-N 438.442 1.660 30 10 IDEE C=CC1(CC(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1621639025 BBFUUBDEIOKPQV-KRWDZBQOSA-N 443.610 1.767 30 10 IDEE COC(=O)C12CCC(CC1)N2C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624260422 BNNBEWGJVNERPN-UHFFFAOYSA-N 431.514 1.656 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 1625436829 SBVITZRQCHPWMZ-GCJKJVERSA-N 447.557 1.978 30 10 IDEE CN1CCN(C(=O)C2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1625599185 JBMHQEFBVDXODQ-GOSISDBHSA-N 435.569 1.586 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(CC(F)(F)CO)CC3)C2)C1 1627951461 SAKBYJUXEDSKHH-NGEICVOHSA-N 442.507 1.545 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)s1 1628380927 QDMMFNTYHQFHBS-UHFFFAOYSA-N 435.453 1.408 30 10 IDEE C=CCNc1ncc(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)s1 1634686611 ZIERAXYTUCLDIT-UHFFFAOYSA-N 428.474 1.486 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1 1640068264 JTSYWEZLAQQWTG-LJQANCHMSA-N 443.525 1.676 30 10 IDEE CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636718 MMNGMFLPMFLXQB-KRWDZBQOSA-N 439.472 1.545 30 10 IDEE COC(=O)c1ccc(CN(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1641683997 NSLAYPBNVQLKGN-ZDUSSCGKSA-N 430.486 1.344 30 10 IDEE CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCC2(CC1)CC(=O)C=CO2 1648473250 FUMKISFZCUYGQD-UHFFFAOYSA-N 441.571 1.982 30 10 IDEE CCOCCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1649659039 LSOSHAUVVARMFL-INIZCTEOSA-N 425.493 1.861 30 10 IDEE Cn1c(=O)c2cc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)sc2n(C)c1=O 1651185268 RGFGJXUOZWVIKV-UHFFFAOYSA-N 433.339 1.997 30 10 IDEE CC(C)N(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C[C@@H]1CCC(=O)N1 1653921205 OOHAGLUJJMIOBB-INIZCTEOSA-N 440.504 1.444 30 10 IDEE O=C1c2ccccc2C(=O)N1CC#CCN1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1656530038 NKFYBWWZVRCBBW-IFXJQAMLSA-N 440.443 1.728 30 10 IDEE C=C(C)CN1CCC(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)CC1 1668488751 XZKHTHKTKVCAHS-RYZJOYRSSA-N 427.567 1.225 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCN(c3cccc(OCc4ccccc4)c3)CC2)CCO1 1671191746 GJJUOWKGSDZREX-QFIPXVFZSA-N 442.541 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccc(CC#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1673936294 SSBDYKZYGRMCGC-MSOLQXFVSA-N 448.545 1.681 30 10 IDEE C#C[C@H](CCC)NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1682361937 RPAQYXCWPILDDN-OAHLLOKOSA-N 428.555 1.065 30 10 IDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 1684169639 OYXZGEULKBCBNM-UHFFFAOYSA-N 447.543 1.687 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)c1cc[nH]n1 1689833313 HTNYXMRMEWRWRK-HNNXBMFYSA-N 429.488 1.946 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1689977879 GABYAOMHLCPCKS-GOSISDBHSA-N 445.520 1.328 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCCC1=O 1690013442 ONRJFCBGGAMJER-UHFFFAOYSA-N 425.496 1.979 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1690067759 JSPKLWZTORYVAD-UHFFFAOYSA-N 432.502 1.073 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1690082737 MMRIIXRXPCXFOZ-UHFFFAOYSA-N 429.546 1.506 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)CC1 1690123948 AMBPTDKLWOMSOT-SFHVURJKSA-N 431.537 1.317 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCOC2)CC1 1690137022 MLISMUTXIVZLTH-KRWDZBQOSA-N 444.580 1.589 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690527725 RUKYDEHLPOYUML-HZPDHXFCSA-N 435.525 1.286 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1690568061 ZLOVVBQEHAQWRG-UHFFFAOYSA-N 425.472 1.418 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1694220909 LKAZGEPFNKDNCM-XGHQBKJUSA-N 434.541 1.352 30 10 IDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1695800728 BJJRFVLEIGSYJJ-OAHLLOKOSA-N 435.492 1.055 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1696616993 GHOJXOBVYPMZEF-HXUWFJFHSA-N 437.548 1.958 30 10 IDEE COCCN1C[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1698079157 KQYTYVHFAYILMA-FOIQADDNSA-N 447.540 1.571 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2cnnn2C)c1 1705506866 KYEJZOMMPMESMK-IBGZPJMESA-N 434.504 1.753 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1705569098 ZHJZPIMDLUMYJS-SFHVURJKSA-N 444.557 1.563 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705634826 JZWKPJUAMPSSTK-JTAQYXEDSA-N 431.581 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CCC)OC)CC1 1705651375 UWTRSXFFOYZARL-HXUWFJFHSA-N 441.580 1.921 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705736847 DVEXSHRCMQEQSY-QKLQHJQFSA-N 440.566 1.157 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705792520 VFXCXWJZMCLYHT-DLBZAZTESA-N 435.594 1.984 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705821781 IMVSYFAQVATGSM-UHFFFAOYSA-N 443.596 1.501 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705832983 PZDQUAJGGYNHTB-MRXNPFEDSA-N 425.541 1.637 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](c2ccnn2C)C1 1705932225 PXUBRMBTOLGXAF-INIZCTEOSA-N 429.550 1.992 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705934937 BIXYZFFVTJVDOY-QFIPXVFZSA-N 443.573 1.637 30 10 IDEE CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706436262 CDBYIWWHWOOIRY-IAORGOLBSA-N 441.536 1.628 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(C)(C)O 1706859743 GSEOPDNOLXEEGU-CQSZACIVSA-N 432.550 1.700 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(N(C)C)cc1 1706871729 RJSFNVXKBOHPOH-YWZLYKJASA-N 449.556 1.639 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1Cc1ccc(C#N)o1 1708738395 YKYYYFCSTZHFDO-CQSZACIVSA-N 427.509 1.672 30 10 IDEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1=O 1709792171 QCAZPHVPYYUOMM-QHCPKHFHSA-N 435.532 1.744 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(S(C)(=O)=O)cc2)CCOC1 1710422965 COCHLEHJKADZAI-KKSFZXQISA-N 447.561 1.978 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NC(C)C 1710568344 AXKVBRORXJADTM-MRXNPFEDSA-N 428.493 1.509 30 10 IDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)c1 1711692537 BJHZQPLHZUTOQN-HNNXBMFYSA-N 448.549 1.594 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1712294855 QLYHYIZKMVOUGL-RPKKRIRMSA-N 430.509 1.312 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722276697 IUUIHKXZLGMJHG-KSFYIVLOSA-N 449.552 1.682 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CCC)CCC 1722353227 UHYSCLBCFLHQFR-INIZCTEOSA-N 427.571 1.012 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCOC2)n1 1722428655 ZSAWEVJDJMRYMK-SFHVURJKSA-N 438.536 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCOC2)CC1 1722445339 VHEDIGAKAJTPAT-QZTJIDSGSA-N 433.553 1.395 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1722691821 ULZWTOKYYPZVMW-GOEBONIOSA-N 425.493 1.231 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 1722711541 FYSFQPWXSPRHMR-AZUAARDMSA-N 427.553 1.873 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)CC1 1722728865 BJIISMDOTGPSHL-UHFFFAOYSA-N 432.594 1.643 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1722754434 KHRVQEUHRMBIFT-HXUWFJFHSA-N 439.564 1.700 30 10 IDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1729365609 NWPCAKUDWXIONV-QBNCKDSPSA-N 439.545 1.732 30 10 IDEE 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C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1741802048 FFNUGFKPDGTSBU-CABCVRRESA-N 447.517 1.726 30 10 IDEE CCN(CCCn1c(Cc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1746310164 DZFONEBAHBEDNT-IBGZPJMESA-N 435.529 1.377 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749414513 FNYLHUFAWUITOJ-MRXNPFEDSA-N 430.534 1.529 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)C(C)C 1749557999 QEGZOTLWRFSYBP-ZWKOTPCHSA-N 429.569 1.254 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1749590741 DZVFNAJBINWLLO-PKOBYXMFSA-N 428.537 1.778 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCc2sccc2C1 1749669513 LPUHKSUGRWFNNJ-HNNXBMFYSA-N 435.575 1.497 30 10 IDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1750213023 NHUVHERNPRZXQI-CVEARBPZSA-N 448.549 1.451 30 10 IDEE C#CCCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159530 JLOLPPDCTDSEEM-QHCPKHFHSA-N 444.580 1.133 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1760186154 AZKBXJOMYUFUKX-IRXDYDNUSA-N 449.577 1.063 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760186489 NWLBEHYIJDXKCV-QZTJIDSGSA-N 437.610 1.214 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1760211600 KFVNKDZLMRVHBL-JOCHJYFZSA-N 441.557 1.885 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC2CC2)CC1 1760256344 NVAXUGBXZHADNO-UHFFFAOYSA-N 448.980 1.574 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)OC)CC1 1760265467 BUJPXHSQQBSQDQ-QHCPKHFHSA-N 447.580 1.710 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(CO)c2)CC1 1760271528 ASSDAKDGVSZJGZ-UHFFFAOYSA-N 444.539 1.770 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1760435946 BNDGKTQKBSYNHC-GOSISDBHSA-N 449.581 1.276 30 10 IDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760451634 OYUNOKOJUQNOAK-MRXNPFEDSA-N 430.557 1.991 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1760695319 FRKNAHZTLAOSBW-HUUCEWRRSA-N 435.529 1.271 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1)S(C)(=O)=O 1760700709 IFWQSOBLJQKDAH-LVFSCSRESA-N 447.561 1.614 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1761506114 VIWCLEDRVFPZMQ-CJNGLKHVSA-N 438.579 1.979 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1761545362 UGQPSRXPPPFQRV-FBBFKJPPSA-N 446.515 1.920 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1767873218 PZWOBZIESCNZLB-UONOGXRCSA-N 433.490 1.083 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1769474958 VTRAKNIRPMIILM-OAQYLSRUSA-N 426.477 1.511 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 1771304966 OSYYVUJOYMBCNR-YNFBMLRVSA-N 427.505 1.639 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1772882236 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440.518 1.497 30 10 IDEE CC1(C#N)CCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CC1 507823808 GWULQIOITSDBLB-UHFFFAOYSA-N 444.513 1.727 30 10 IDEE Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc1S(=O)(=O)NCC#N 517561294 KWJYKCCSTXJUEK-SFHVURJKSA-N 428.514 1.226 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)CC1 524517650 PHTKSLAWUOAOGJ-UHFFFAOYSA-N 439.516 1.339 30 10 IDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)ccn1 527506479 MLWXIRJCYQPESL-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccccc1 531369722 XQDCIRSCLWUCMO-UHFFFAOYSA-N 434.546 1.919 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cccn2)CC1 558996416 DGNHLBKTIDJTPM-SFHVURJKSA-N 449.581 1.300 30 10 IDEE N#CCCn1ccc(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)n1 565980837 HPUICJBWJFEWGC-VTLVALNESA-N 441.491 2.215 30 10 IDEE COc1cccc(C[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)n2nnnc2C)c1 603733333 LSCNKEPJQVTBFR-FQEVSTJZSA-N 432.488 1.389 30 10 IDEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@H]1C(=O)OCC(=O)NCCC#N 730303277 AIPRIKVKHHKKRX-HNNXBMFYSA-N 439.921 1.972 30 10 IDEE CN1CCCC[C@@H]1CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 730562978 OTOGXVIEUNXGGL-GOSISDBHSA-N 447.605 1.134 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)ccc1F 730563131 SVYZMSZZPPEGKC-SFHVURJKSA-N 438.569 1.532 30 10 IDEE CN(CC1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)C(=O)OC(C)(C)C 732464999 BMUVIVHQLGWIJU-ZCXUNETKSA-N 435.525 1.801 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732698360 YAQUMNQOULDQRA-XKAFOEQXSA-N 430.534 1.703 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 733761603 VBMHRDVZOFMSJF-RDJZCZTQSA-N 441.488 1.889 30 10 IDEE Cn1cc(C#N)cc1C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 764747126 DBFLEOBDTYVWJA-UHFFFAOYSA-N 430.486 1.268 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 769167989 ZNDUDDXEBIOTQQ-GOSISDBHSA-N 427.482 1.574 30 10 IDEE CCCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771582746 NGSCCCBWYFISJV-IVZQSRNASA-N 428.489 1.786 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 771962494 FCCRLWGSXGZZGL-UHFFFAOYSA-N 432.322 1.695 30 10 IDEE C#CCN(C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1)[C@H]1CCS(=O)(=O)C1 774168412 XAEVBIVECAHEHG-NRFANRHFSA-N 438.553 1.976 30 10 IDEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1O 795466626 CFPLEKDGBCDOOU-HZPDHXFCSA-N 439.559 1.360 30 10 IDEE C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O 795466631 CFPLEKDGBCDOOU-JKSUJKDBSA-N 439.559 1.360 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCN1C1CC1 798494662 JAPQPKMBWPFZJL-OAHLLOKOSA-N 425.942 1.390 30 10 IDEE COC[C@]1(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CCN(C(=O)OC(C)(C)C)C1 810585959 PJAATZRXDOLEQV-FQEVSTJZSA-N 437.518 1.945 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCO2)n1 812309830 GXLIOIMOEDXIJG-RBUKOAKNSA-N 430.509 1.028 30 10 IDEE CCS(=O)(=O)N(C)CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C 915270386 VOFQEIBQORYONB-MRXNPFEDSA-N 440.591 1.734 30 10 IDEE Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916777450 BYTJDOPWXQEZNN-ZDLGFXPLSA-N 426.433 1.637 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccccc1C#N 917798941 HHKBMXKHCVCJIX-UHFFFAOYSA-N 449.561 1.955 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc2n1CCC2 918647757 IQSDAZIAXFPCKT-OAHLLOKOSA-N 430.534 1.181 30 10 IDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1O 1084092848 WNISOGOQEMHZLF-UHFFFAOYSA-N 427.490 1.561 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1129008878 GFSPGWAGQQBBRL-CABCVRRESA-N 445.335 1.543 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(C(F)(F)F)n2c1CCCC2 1132386209 FSJLPFZQCCMXBS-UHFFFAOYSA-N 441.435 1.593 30 10 IDEE N#Cc1ccc(OCC(=O)N2CCC[C@H](n3nncc3I)C2)cc1 1153135863 MGSKOGZQPYLHAZ-ZDUSSCGKSA-N 437.241 1.997 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(O)nc(C2CC2)n1 1154790531 WNOHBGRXUWWPEO-MRXNPFEDSA-N 443.529 1.829 30 10 IDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N 1255196252 YMCGVFQZHDTHPZ-IRXDYDNUSA-N 435.550 1.048 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)COC 1286420740 IXIHXSLQMBRVKS-SFHVURJKSA-N 443.573 1.941 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCC[C@H]2C)CC1 1286484501 LLWDYJITCCGUAB-HXUWFJFHSA-N 433.560 1.968 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1286553322 DDQYLXAYBXCYNZ-BZSNNMDCSA-N 439.582 1.583 30 10 IDEE C=C(Cl)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1286635028 HYKJZGHAJRNZTO-OXQOHEQNSA-N 439.944 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286793215 AGDBNFGZJGHPCQ-SCTDSRPQSA-N 448.568 1.045 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@]1(OCC)CCOC1 1286793793 MFQAFJYHBHVFDJ-KDOFPFPSSA-N 437.451 1.753 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C)N(C)C)C1 1286807711 FPYSGIMXMFVYMU-SJORKVTESA-N 437.548 1.923 30 10 IDEE Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290857422 OAHFMZXCDCYXJJ-IAFNSTAXSA-N 445.524 1.559 30 10 IDEE CCc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1293113993 YGQVDHBRYHXECK-QZQOTICOSA-N 441.536 1.348 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 1297918651 CPHBXGSDBLXUNY-LLVKDONJSA-N 425.463 1.406 30 10 IDEE CNC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1299259135 FCXHVZAVOPRAFG-UHFFFAOYSA-N 447.499 1.837 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1(NC(=O)OC(C)(C)C)COC1 1300275229 RWBHIJYQUAFSAX-HOTGVXAUSA-N 437.541 1.754 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300361884 JIYGAUJJWLHGGZ-SFHVURJKSA-N 443.552 1.827 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1300556797 MCUZGNYHGJFPFS-OAHLLOKOSA-N 434.591 1.613 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2([S@@](C)=O)CC2)CC1 1300726470 MGWFGCRXCOKKAJ-WJOKGBTCSA-N 440.573 1.141 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300912530 DXBGHSIFBAIFRU-MSOLQXFVSA-N 431.585 1.574 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1300990264 DCDGPOMAAYMCDO-NVXWUHKLSA-N 444.540 1.397 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1301037237 RGMGTYZLZNNOBQ-UHFFFAOYSA-N 442.929 1.276 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1301484984 PKNUOINEKIYMTD-IRXDYDNUSA-N 429.546 1.886 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)OC(C)(C)C1 1301568360 RXTZVEOEYPGOMW-OAHLLOKOSA-N 441.598 1.801 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(c2nc(C)no2)CC1 1301588178 CHFCSGZLLKGINS-MRXNPFEDSA-N 436.538 1.458 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301589843 YNLPPZKULQPKBW-HLIPFELVSA-N 440.566 1.157 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1Cc1ccc(C#N)o1 1301979338 FESUCGBCWCREQT-FHLIZLRMSA-N 428.493 1.762 30 10 IDEE CS[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302565691 GJLYMBSCWHFCQN-INIZCTEOSA-N 440.577 1.745 30 10 IDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@@H]1O 1302841476 DYYMRQXDHCBCQH-XLIONFOSSA-N 441.532 1.867 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1303066492 HJPSAWJSIDWJBB-ROUUACIJSA-N 439.582 1.752 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1303447148 CNGSHFVEANFPQX-INIZCTEOSA-N 428.928 1.695 30 10 IDEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1304594250 KFJJSIHWOZTLEP-UHFFFAOYSA-N 427.530 1.913 30 10 IDEE C#CC1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 1307961064 GRAXGNMZIUHFGU-UHFFFAOYSA-N 427.526 1.910 30 10 IDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1312977443 QAKZCFNPPYDSMJ-UHFFFAOYSA-N 428.536 1.920 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)cc1 1315536454 FXZXYAUKHHZXBS-LJQANCHMSA-N 440.504 1.653 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CC2(CC(=O)N3CCOCC3)CCCC2)CC1 1337181078 KFAWLQJMXXCXBI-UHFFFAOYSA-N 425.533 1.801 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358900691 QRDBTJPJYVDIOT-FYQPLNBISA-N 446.596 1.403 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1358930594 YNDNRWJLECEIFD-HRAATJIYSA-N 432.521 1.831 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccccc2)CC1 1358968333 IAGCMWPFMTVFNB-UHFFFAOYSA-N 447.587 1.701 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1359023704 SVNQOMFSJKVMSL-LJQANCHMSA-N 436.516 1.490 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1359056327 COYHOYVUJITJLF-SJORKVTESA-N 448.618 1.664 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359132791 FQRFILUGNDTNJH-PMACEKPBSA-N 446.596 1.855 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359208616 PTBRIMKPGNNJQT-ROUUACIJSA-N 439.630 1.071 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnccn2)CC1 1359229048 WSMBPLWALHDGRX-UHFFFAOYSA-N 437.552 1.849 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COc2ccccc21 1359240391 MZDZUDMKYXZAAW-MAUKXSAKSA-N 433.534 1.409 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1359310511 YFORIFWQOLYMHI-FQEVSTJZSA-N 436.516 1.848 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N(C)C)C1 1359315607 XMXPRVNDTRFUTK-QGZVFWFLSA-N 447.561 1.608 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1359357867 OPNMWPJSKLLXPI-MBSDFSHPSA-N 435.532 1.600 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3cc(C#N)cc(C)n3)ccc2F)CC1 1436505603 BIFVMUPEECNFAV-UHFFFAOYSA-N 445.476 1.506 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cccc(C#N)n3)CC2)CC1 1437856731 RUILAJUXCQVKBZ-UHFFFAOYSA-N 428.493 1.384 30 10 IDEE C[S@@](=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1444492831 XXQXFLWPGVUQTI-WYSNUAEBSA-N 438.594 1.296 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C[C@@H]1[C@@H]1CCCO1 1465872462 OBPXROYCKMQBFE-KSZLIROESA-N 434.537 1.766 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1470847556 SXMJNDFKCCYGBM-QGZVFWFLSA-N 434.537 1.326 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(Cl)ccc3ccccc23)CC1 1475622349 FAFXBJKGOSKHIH-UHFFFAOYSA-N 427.935 1.267 30 10 IDEE CC[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)OC 1497281539 AZXXVFRRQHLABZ-HOTGVXAUSA-N 437.504 1.829 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1505048305 ODBOGXYEWOWFFI-VGSWGCGISA-N 427.505 1.864 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC(F)F)c1 1507653789 UOKGYWFEKPTCPE-OAHLLOKOSA-N 429.427 1.960 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N1CCOCC1 1507694723 QVZWDVIWDPNRIN-SFHVURJKSA-N 442.589 1.995 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCSCC1 1507710550 HWKCLDMAZLZRDI-HXUWFJFHSA-N 443.573 1.925 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CCC2)CC1 1507733560 CRSXZYRTCXXXDE-UHFFFAOYSA-N 435.594 1.509 30 10 IDEE C=CCn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508066450 QWJLHGORQNFDFE-FQEVSTJZSA-N 441.598 1.755 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1C 1508089067 VJODXMBEFMGXQW-UHFFFAOYSA-N 447.503 1.574 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1508089227 FDNXIOURCXQMKO-VGOFRKELSA-N 445.951 1.922 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC1CCCC1 1509683158 HEROSRFFCKLWJV-SFHVURJKSA-N 429.569 1.942 30 10 IDEE COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1517981099 CNUINSDGWBZCKX-RDJZCZTQSA-N 448.549 1.177 30 10 IDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1519030601 QGLJFQKVDMCWIQ-INIZCTEOSA-N 432.550 1.713 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1539004854 WGPPHLCWNSQCNF-KRWDZBQOSA-N 449.559 1.761 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)on2)c1 1539037333 DVTKJYNSXSROGG-UHFFFAOYSA-N 447.499 1.915 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(F)cc3I)C[C@H]1CS(=O)(=O)C2 1539117913 DBLRCZICHHUYMU-LKFCYVNXSA-N 434.230 1.441 30 10 IDEE C#CCN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C(=O)OC(C)(C)C 1539203680 WAOSISKJIPVEIX-QFIPXVFZSA-N 428.489 1.831 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539212262 OHIPZTMLUSBWFR-MSOLQXFVSA-N 431.562 1.813 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnccc2OC)CC1 1539431565 VOXYSLXUOUEFKJ-HSZRJFAPSA-N 440.548 1.526 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NC(C)C)CC1 1539461916 MQXOZBWWSVGAQC-UHFFFAOYSA-N 430.940 1.790 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539520541 SFRVPNOJKWBYSR-HXUWFJFHSA-N 426.590 1.931 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC 1539539949 AEBLHVICMKIJIN-OAQYLSRUSA-N 444.561 1.324 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1539612816 QLSZNUJGQYWOBF-MJGOQNOKSA-N 430.553 1.554 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1 1540457269 SSLLAFWWLXEXPS-UHFFFAOYSA-N 445.585 1.644 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1540874788 RYYUOLYSLNHURC-UHFFFAOYSA-N 438.488 1.420 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1540902640 NNKABHFEHZLKNE-CHWSQXEVSA-N 435.472 1.609 30 10 IDEE C#CC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1542600569 UPZFPEXIBOAXNS-MSOLQXFVSA-N 431.558 1.942 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1546315990 ACCZDWXEQNITSA-AVRDEDQJSA-N 427.505 1.954 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 1547254645 YEAOCCSCXWGQJO-LJQANCHMSA-N 426.521 1.975 30 10 IDEE CCCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1547258836 FUVNUQXNUNEAQF-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1548315840 AKNGYMCSLATQJU-QFBILLFUSA-N 428.562 1.924 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555802354 GNJUAYSZDZVCSL-QGZVFWFLSA-N 431.566 1.665 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)cc1 1555991121 PJXMAYIXCWWHSH-SFHVURJKSA-N 428.518 1.573 30 10 IDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(I)c(C(=O)OC)c1 1561641239 GZHYUAIOTLWNGM-JTQLQIEISA-N 435.239 1.101 30 10 IDEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OCC 1569183701 CDPSSBDDINNUNC-QGZVFWFLSA-N 428.482 1.474 30 10 IDEE Cn1ncc(I)c1C(=O)Nc1c(C#N)nnn1Cc1ccccc1 1585827206 BOCURUFCXUALPX-UHFFFAOYSA-N 433.213 1.788 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1587580759 RVKAUIDJFLXCEK-OAHLLOKOSA-N 448.545 1.360 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCn1cc(Br)cn1 1588647515 WKTNQKSOXYIMIZ-HNNXBMFYSA-N 437.342 1.917 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCSC1 1589662821 BYZWUCRKVJDECU-HOTGVXAUSA-N 429.612 1.767 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1593809264 XLUDPOSDRYPJQV-GDBMZVCRSA-N 431.928 1.835 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CCC2)CC1 1594236428 BVTUCORKXZXKLD-MRXNPFEDSA-N 442.607 1.550 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1595467129 QKKLEKMUPXJGSM-KRWDZBQOSA-N 426.525 1.163 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 1595577287 NUWILJCNCBKMGH-UHFFFAOYSA-N 446.939 1.905 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1598054922 NHJQLWHSPLHDAX-UHFFFAOYSA-N 432.550 1.460 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 1611102016 HYBMFKKMYJKYKF-INIZCTEOSA-N 432.322 1.819 30 10 IDEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCOCCS(C)(=O)=O 1613982390 URHJVQAJZUTZOF-UHFFFAOYSA-N 447.561 1.821 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NC(C)C 1617268070 IDZXSGJNTPLXOV-HNNXBMFYSA-N 432.550 1.601 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCCn1cc(CO)nn1 1617907672 HKAWHWQQORWSQS-UHFFFAOYSA-N 431.504 1.966 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(I)c(Cl)c2)C1=O 1618192649 YAPOCFGOSUJOKY-UHFFFAOYSA-N 447.616 1.860 30 10 IDEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1619479615 BHQWVPDASJQPSM-FAYHIZQSSA-N 428.534 1.535 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619837153 VLVFRIMDCDZTBK-UYAOXDASSA-N 431.585 1.317 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCOC3)n1CCSCCCO)C2 1620349270 INKRKJNCQHFOFG-AWEZNQCLSA-N 430.534 1.433 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCC2(S(=O)(=O)N(C)C)CC2)nnc1-c1ccco1 1626039355 GFNYQPMDBPTORJ-UHFFFAOYSA-N 439.563 1.747 30 10 IDEE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 1627510311 SCDQYLUUUFVEIU-UHFFFAOYSA-N 442.563 1.224 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cnc2c(Cl)cnn2c1 1628777643 FWVGUJGZHVUDTR-LBPRGKRZSA-N 432.893 1.280 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1638692482 VQNGKISQMZHENS-WMLDXEAASA-N 434.541 1.113 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 1640439540 OGFXMTUNDPCNFM-UHFFFAOYSA-N 448.570 1.815 30 10 IDEE COCCN(C[C@H](O)CC1(C#N)CCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1642222991 VEEUPTJPBVSUQD-QGZVFWFLSA-N 427.505 1.477 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 1642821591 MVOXTJUJGXRXRW-UHFFFAOYSA-N 428.514 1.934 30 10 IDEE Cc1cc(C(F)(F)F)nn1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1645494958 FFYLCMIKMQSKNS-UHFFFAOYSA-N 429.424 1.455 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1646095506 JAINEYSNAFNMCR-GOSISDBHSA-N 428.537 1.909 30 10 IDEE CCN(Cc1cccc(F)c1)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652134098 MSSCSLJANRJNQZ-UHFFFAOYSA-N 444.463 1.411 30 10 IDEE CN(CCNC(=O)C1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1)Cc1ccccc1 1654381433 BUDULEDIDYJGEM-UHFFFAOYSA-N 432.590 1.970 30 10 IDEE CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1nnc2n1CCC[C@@H]2C(F)(F)F 1655590278 YCSDMYUXTOWFSB-ZDUSSCGKSA-N 428.440 1.890 30 10 IDEE C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656344614 WTXZGCPNKTXPBW-YZVOILCLSA-N 425.938 1.436 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)c1 1659555579 PAUHDYXQJIEQTL-HXUWFJFHSA-N 441.509 1.793 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(NS(N)(=O)=O)CC2)n(-c2cccc(F)c2)c1C 1659723728 URJBTDKCCLYQRT-UHFFFAOYSA-N 448.524 1.301 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC(=O)NCC23COC3)n(-c2cccc(F)c2)c1C 1659950622 KSTWPQODQZDKNO-UHFFFAOYSA-N 425.464 1.634 30 10 IDEE COc1nc(N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)ncc1Br 1662550288 IBHLJSOAQVOHDL-UHFFFAOYSA-N 432.344 1.639 30 10 IDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1665174765 JSGOXLHGWUZVEM-YESZJQIVSA-N 430.592 1.959 30 10 IDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 1677915059 XXDLEDJTXWEQFX-MRXNPFEDSA-N 440.543 1.294 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)C1 1682563793 WRPQLZOYACTCDN-JOCHJYFZSA-N 439.604 1.755 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)C1 1685267189 TWGIUMYPEOUJMJ-QGZVFWFLSA-N 444.532 1.277 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1689851155 MTFAJUNSPNNISZ-RDJZCZTQSA-N 430.530 1.848 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1ccnc1C 1690043536 DWKJNZQOYHMAQG-UHFFFAOYSA-N 440.511 1.860 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCCOC)CC1 1690341143 GUXRFXJDYZQJNE-UHFFFAOYSA-N 433.944 1.286 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@H]21 1690508082 AUCJUGSPRMEQQF-ULQDDVLXSA-N 425.555 1.192 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1690733733 LVKVUZNSXCNWBT-ZYSHUDEJSA-N 441.623 1.814 30 10 IDEE CC1=C(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1692895674 MKMYJARJEDKPES-OAQYLSRUSA-N 427.530 1.913 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CCO[C@@H](C#N)C2)c1 1697017671 FSBJFZCNPDHHOD-INIZCTEOSA-N 442.501 1.532 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705568892 XBDSIKUJHJJZKD-QGZVFWFLSA-N 447.586 1.445 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCN(CC)CC2)CC1 1705639538 QMGUUKNTPWOGCJ-JOCHJYFZSA-N 443.640 1.345 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1705668976 YGQHBXMQUXYHHP-IIBYNOLFSA-N 434.610 1.755 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705735618 BNZOEKFBDAIULP-QGZVFWFLSA-N 447.565 1.332 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1705782282 SVHJTDYGTARVOS-QGZVFWFLSA-N 441.623 1.563 30 10 IDEE C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C)C1CC1 1705854281 JRTORRBGJPYTGT-INIZCTEOSA-N 444.540 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@H]1C 1705930279 KATJWTVBJRSCJD-KFWWJZLASA-N 433.600 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705931586 UOQUJRGYTQCDJL-QGZVFWFLSA-N 449.558 1.041 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705939251 BODDCFWMXLGSMQ-MRXNPFEDSA-N 441.623 1.837 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CC1 1706405718 WAPQHWRTMIXWBM-UHFFFAOYSA-N 430.534 1.589 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)CCC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1707819013 DKJIHNHOXFXXGS-MRCUWXFGSA-N 438.536 1.902 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)OC)CCN2C1=O 1710174527 ZGKQYROIXCRPCD-KRWDZBQOSA-N 437.504 1.714 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCOCC1 1710867087 FAPBTAUBYJOQQR-UHFFFAOYSA-N 447.561 1.619 30 10 IDEE CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1711422957 QNFSSPYEHPSYGO-GOSISDBHSA-N 444.561 1.762 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1712155914 QCLRWRRIWAKJSQ-QGZVFWFLSA-N 435.488 1.845 30 10 IDEE COCC1=CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712219626 QHGLWFZGZBYAJH-VZCXRCSSSA-N 435.488 1.649 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712249035 XNOQBQCZXUNWSQ-YGCDDZCOSA-N 437.504 1.729 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1722297386 ZPUDWSKLWIXQSI-HKUYNNGSSA-N 431.562 1.620 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)NCC2CC2)c1 1722306228 ZQJHBTYZDYGNQL-UHFFFAOYSA-N 431.500 1.856 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CC)c1 1722309145 JWAFXDUMEUREMG-PMACEKPBSA-N 449.559 1.770 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722333768 ZFRKDOCYBCHSAF-SFHVURJKSA-N 439.545 1.187 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722361616 IDENVBDOKLOXGN-WMZOPIPTSA-N 430.530 1.617 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1722435417 MJCBMWXEQNUWHI-UHFFFAOYSA-N 436.541 1.547 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ncccc2N(C)C)CC1 1722439489 DJIXPASWCHRUII-UHFFFAOYSA-N 436.589 1.898 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1722482857 DEPXMPBEWOYFDT-CYBMUJFWSA-N 425.331 1.490 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722614851 DWMRIURCCJCBIO-WDSOQIARSA-N 429.569 1.184 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722693285 JFOJRIHJGCLTJD-HNNXBMFYSA-N 434.504 1.304 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1722729810 XUYGULYTZAAUEN-GOSISDBHSA-N 444.561 1.066 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722739841 XSFIVFTWOLBMSL-HZPDHXFCSA-N 434.566 1.468 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1722743215 UXWNYLNUFNAJKS-GOSISDBHSA-N 434.610 1.478 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)cs1 1725410579 HKLDNAMRVFGWOK-INIZCTEOSA-N 438.579 1.578 30 10 IDEE COCCN1C[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1730778145 MOWXMDOCMIKEAL-ZWKOTPCHSA-N 430.553 1.797 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1740617253 OOSJQSRIKXBATQ-YJBOKZPZSA-N 429.546 1.566 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740640055 XGDMOHAESMPIDI-DLBZAZTESA-N 425.455 1.856 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740795543 XCSQLQZJISECCQ-ZWKOTPCHSA-N 438.536 1.751 30 10 IDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740877103 YNMMDEQZJOBPMI-SFHVURJKSA-N 430.553 1.409 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCc2ccco2)CCOC1 1741713172 FRIVKMOUDCOLQE-HRAATJIYSA-N 430.509 1.966 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1741801582 BMRCEXRGKPBPBL-BDXSIMOUSA-N 430.532 1.866 30 10 IDEE CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1743992177 BYTUUXZWTHZQCW-WDSOQIARSA-N 431.585 1.962 30 10 IDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C 1746318976 HFGKEKCJYJFSBH-NRFANRHFSA-N 439.564 1.888 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1746464592 NOCVENWZRBNYFL-XXBNENTESA-N 442.612 1.777 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC(C)C)cc(OC)c1OC 1748524245 HFCVPFJHTPHKMZ-HNNXBMFYSA-N 444.492 1.224 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)c1 1748572099 LAULBSCXQVCORG-OAQYLSRUSA-N 432.500 1.982 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748718614 KZLZXNYHIYQMMP-HNNXBMFYSA-N 436.607 1.907 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1748812552 WEMRSIDQBVLQKJ-MSOLQXFVSA-N 430.578 1.774 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1748887074 RRYBCVYXKBREJC-UHFFFAOYSA-N 428.500 1.478 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(-n2cncn2)nc1 1748959388 RMXQFCPMEIDDTQ-UHFFFAOYSA-N 429.488 1.759 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(NC(C)=O)cc2)CC1 1748991250 UPERLYDKZJPNFV-HXUWFJFHSA-N 435.532 1.186 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749256180 WWDBLRCSTWWGEC-GOEBONIOSA-N 435.937 1.816 30 10 IDEE COC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1749565328 GTSIDLSZDYCRTR-MJWGMMHASA-N 432.525 1.245 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749664712 XRRCEKOGPDZEOJ-LSDHHAIUSA-N 435.550 1.514 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@@H]2OC)C1 1749711771 CDUJXPOXLWRILR-TVFCKZIOSA-N 440.566 1.013 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749725535 WDZGBDPUAIJYSE-UZLBHIALSA-N 436.534 1.832 30 10 IDEE COCCN(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749770023 OYEUPOAEABZNSR-MRXNPFEDSA-N 441.536 1.285 30 10 IDEE CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1750534892 NKNZIQQDSHUTRF-HUUCEWRRSA-N 436.513 1.086 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1760194819 RAQQGIJWYCDCRU-QGZVFWFLSA-N 437.529 1.195 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760518990 OBTDKTTWQAIZNW-KRWDZBQOSA-N 428.518 1.132 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C2CC2)O1 1763081478 HTINPWHMEOWLKS-BEFAXECRSA-N 444.561 1.760 30 10 IDEE CC[S@](=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1766744158 LFXIUTNXEZIOOB-HKBQPEDESA-N 436.545 1.702 30 10 IDEE CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1768247702 IBOWCFCUUMJNQR-CQSZACIVSA-N 443.533 1.365 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)C1 1769059612 HNDPFBFRLMXFIV-QHCPKHFHSA-N 440.548 1.719 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2OCCC2(C)C)C[C@H]1O 1769452105 MEYCCPCIEKJNGQ-QRVBRYPASA-N 439.516 1.992 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1770216673 DNNHMZAWQQQOMK-FNHZYXHNSA-N 444.467 1.509 30 10 IDEE COC[C@@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1770723391 GUFDYVVCVYFFRU-GOEBONIOSA-N 431.493 1.982 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1853012132 XYXYLGFHHUZIPA-UHFFFAOYSA-N 441.557 1.817 30 10 IDEE C=CCCC(=O)N1CCCC[C@@H](N2CCCN(C3CCS(=O)(=O)CC3)CC2)C1=O 1854898961 KDCDATLXAAZOEQ-LJQANCHMSA-N 425.595 1.445 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(C)c(Cl)cc3C)C2)CC1=O 1856774820 WCGUDUPUYGAYIG-HUUCEWRRSA-N 442.921 1.839 30 10 IDEE CS(=O)(=O)N1CCC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)CC1 1857294893 CPXYLVDDHAFVOC-WMZOPIPTSA-N 436.578 1.049 30 10 IDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)CCC(=O)O)sc2c1 1866019859 CWPCURLNXCCGPS-ZDUSSCGKSA-N 438.531 1.790 30 10 IDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871624040 HNAZIRZHQQFQPA-UHFFFAOYSA-N 438.536 1.452 30 10 IDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cn(C4CCSCC4)nn3)CC2)CC1 1889352273 NZORAFSFTMMXOH-UHFFFAOYSA-N 446.621 1.218 30 10 IDEE COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccnc(C#N)c5)CC4)ncnc32)cc1 1890453809 AHVYPSJWUSAIIX-UHFFFAOYSA-N 441.455 1.448 30 10 IDEE Cc1ccc(Cn2nc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)ccc2=O)cc1 1891415890 BIVIXTHKEFRUIH-GOSISDBHSA-N 430.468 1.945 30 10 IDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2213501378 XKFPNSVIPXSUFH-LVQVYYBASA-N 443.541 1.303 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)C1 2224131823 LZBLPHHVWOCONC-OAQYLSRUSA-N 433.314 1.625 30 10 IDEE Cc1c(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255535987 BUUAWBLOUFRANE-ZIAGYGMSSA-N 434.346 1.671 30 10 IDEE Cc1ccnc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255634704 UICVHNBEYNIAKE-CQSZACIVSA-N 435.330 1.305 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255652321 SIFMEOIFJCBGDY-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255657981 XBSSDGRXZSFEGG-CQSZACIVSA-N 434.346 1.706 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2255831316 TUENJVWNIDQASA-HDJSIYSDSA-N 434.346 1.988 30 10 IDEE C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255932967 IKRUDZIUPUXJLW-MRXNPFEDSA-N 449.382 1.681 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2258225032 GKLICJBJSYVPSF-NSHDSACASA-N 430.236 1.382 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267004996 JUJWBUGTNBKNKJ-UHFFFAOYSA-N 447.341 1.483 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 2267159163 HKVAZRXFVMTZBD-RCDICMHDSA-N 446.357 1.767 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267264936 YFXLJXLGCUECHA-QGZVFWFLSA-N 447.341 1.747 30 10 IDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267280429 PBDSOGGFPDJGDD-XOIINTDNSA-N 444.341 1.713 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@@H]3C3OCCO3)s2)OC1(C)C 2267377748 HFEVDGCBVNQYLL-CYBMUJFWSA-N 429.369 1.963 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 2267545624 LURBBXWVEAQNBR-KGLIPLIRSA-N 449.361 1.538 30 10 IDEE Cc1c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2270590847 ITDDPIHJYAFPHU-UHFFFAOYSA-N 444.263 1.311 30 10 IDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1cccnc1 2325917962 HVCNLWLEJZPNCB-QGZVFWFLSA-N 435.513 1.649 30 10 IDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c(OC)c1 2329013032 GLIWDRLZYSNCOC-AWEZNQCLSA-N 446.533 1.479 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 2337204607 NFLJZVXLDYMPAS-AWEZNQCLSA-N 446.357 1.849 30 10 IDEE C=CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@H]2CCC(=O)N2)CCO1 72389202 SGTKDDRCBLYDGM-PXDATVDWSA-N 448.523 1.470 30 10 IDEE CCOc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443870 TZNJSRDWSZHFEX-HZPDHXFCSA-N 436.472 1.094 30 10 IDEE COc1ccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254346395 GKSYOPDGVJHWHC-SMDDNHRTSA-N 428.488 1.170 30 10 IDEE O=C(O)CNN=Cc1cc(I)cc(I)c1O 378738154 HOLKVNFKHHEVIK-UHFFFAOYSA-N 445.982 1.610 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1C#N 427777969 LCKIYGVZEHQOOI-UHFFFAOYSA-N 426.502 1.516 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 470288651 UFQNDTKMGAABRP-GOSISDBHSA-N 441.498 1.938 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3C#N)c2=O)o1 471216531 RZRGUZJJXPEKRI-UHFFFAOYSA-N 448.504 1.192 30 10 IDEE COc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C[C@H]2CCCO2)c1 480098545 QLFVDAPUQYMURI-LJQANCHMSA-N 447.516 1.878 30 10 IDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488265321 QGRLOLDOQJPABU-PMACEKPBSA-N 436.516 1.793 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 490884246 NGLRXXBOMHGIHH-KRWDZBQOSA-N 437.903 1.214 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 503606454 FCRZSCMDYXJJBV-WNSKOXEYSA-N 441.484 1.772 30 10 IDEE C=CCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508738489 GHPSAMMZHHBHSD-UHFFFAOYSA-N 435.513 1.909 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 508945547 MGKKGVKRZIKDSE-IBGZPJMESA-N 432.569 1.465 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)c1 539598655 QMSRZGNXMHIRIT-QGZVFWFLSA-N 441.553 1.919 30 10 IDEE N#Cc1cccnc1N1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)CC1 549468080 YVWWOYRUXSREKG-UHFFFAOYSA-N 438.289 1.983 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 553979172 UMUWDESZJSFYAM-QZTJIDSGSA-N 425.510 1.841 30 10 IDEE C=CCNC(=O)Cc1noc([C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)n1 573848741 ZJLHFUCIHCVWEE-RYRALXFLSA-N 444.491 1.861 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCN1CCOCC1 588152408 SACFZKOLYKTKTE-KRWDZBQOSA-N 439.581 1.669 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)ccc1F 591684557 KHRJMMMDJFWXDK-UHFFFAOYSA-N 427.501 1.318 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccccc1 729668188 AEAAPKHHOCVOMO-UHFFFAOYSA-N 443.532 1.633 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732699575 AJEGIJDHBNHDLH-FVJLSDCUSA-N 425.533 1.818 30 10 IDEE CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732706022 BPLVMYWVQRZJLF-SFHVURJKSA-N 427.505 1.071 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 741392548 PQFUVMLYHQRURH-WFOVFMPGSA-N 438.506 1.295 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)Oc3cccc(CO)c3)CC2)o1 753431064 GHBUPKXCPHPKSC-CQSZACIVSA-N 428.445 1.006 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1 754773479 WRZYTUIGBZJEJT-YOGCLGLASA-N 427.276 1.367 30 10 IDEE CC(C)NS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 760790699 ASYAKZUMPSCGPO-UHFFFAOYSA-N 431.493 1.741 30 10 IDEE CNC(=O)C[C@H]1S/C(=N/CCCN(C)c2ccccc2)N(Cc2ccn(C)n2)C1=O 765549574 ZVDYGFZUAGUHRU-QCLNCQLRSA-N 428.562 1.883 30 10 IDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1F 769649931 AQRANWUSLIECAF-CQSZACIVSA-N 430.527 1.338 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1C 771541000 UAPBMNXTPFRYGG-MRXNPFEDSA-N 427.534 1.670 30 10 IDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 775372255 YYWMTGMTPIAFQE-UWWQBHOKSA-N 441.488 1.746 30 10 IDEE CC(C)(C)OC(=O)N1CCC(SCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 778786788 FZSLYYGQBGMDIH-ISLYRVAYSA-N 438.550 1.762 30 10 IDEE COCCN(Cc1ccnn1C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785697952 LQFNLVBUPRQSLF-FCDQGJHFSA-N 448.549 1.913 30 10 IDEE C=CCOC(=O)N1CCC(OC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)CC1 790840930 BLGODXDBINMOMI-UHFFFAOYSA-N 430.461 1.138 30 10 IDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cn1 793469343 PTFDZAUUYIYISV-UHFFFAOYSA-N 442.460 1.438 30 10 IDEE C[C@H](C(=O)OCC(=O)N(C)CCOc1ccc(Br)cc1)n1cnc(C#N)n1 798744133 PWSLIBRXJTVZMD-GFCCVEGCSA-N 436.266 1.554 30 10 IDEE C=C(CNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 806741222 ZEOLISGUNIWLEJ-UHFFFAOYSA-N 430.310 1.924 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 806797751 ZGTNPHPHWMODSG-HXUWFJFHSA-N 429.542 1.733 30 10 IDEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807936258 LSPJESBLTPHZPC-KRWDZBQOSA-N 447.540 1.462 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 809889390 AOVVHILGDHQSGX-JKSUJKDBSA-N 434.541 1.864 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 812187627 AXPRPWKDZRXZDW-PKOBYXMFSA-N 448.593 1.320 30 10 IDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812420179 UYDCQJOZRHVJEO-MAUKXSAKSA-N 445.501 1.517 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 917626595 KKWNVAGUPXMSFR-KRWDZBQOSA-N 425.316 1.933 30 10 IDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1084320244 AOPDKHMXKJOEBJ-UHFFFAOYSA-N 444.433 1.488 30 10 IDEE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNS(C)(=O)=O)C1 1084448137 DVBULDLQSKWNIY-CQSZACIVSA-N 425.511 1.563 30 10 IDEE C=CCN(C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1125953882 LGMKVJCEWXBRJD-GUDVDZBRSA-N 436.530 1.614 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](CNC(=O)OC(C)(C)C)CC[C@H](C)[C@@H]2C)C1=O 1131802944 DQPGUAIWBFUWSL-KKUMJFAQSA-N 436.509 1.504 30 10 IDEE C=C(C)C[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OCC 1132934385 HRSNXWXDQQWEDD-KRWDZBQOSA-N 432.477 1.891 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N(CCC#N)CC3CC3)CS(=O)(=O)[C@H]2C1 1136680522 LITJWVDKXJTZBZ-ZACQAIPSSA-N 425.551 1.809 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1)c1cc[nH]n1 1137229436 LZBRXDNFIARDOQ-HNNXBMFYSA-N 436.852 1.768 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1146246967 GQUSJYATQKITDL-UHFFFAOYSA-N 425.463 1.067 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC(C)(C)c2cccc(C#N)c2)c1 1147112370 VGTAYEQSAWJLBU-UHFFFAOYSA-N 428.514 1.590 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1151861109 LTPFKVMPFBKAKY-QZTJIDSGSA-N 435.569 1.729 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@@H]2C)cc1 1155799440 HMPSMMCODORRKL-AWEZNQCLSA-N 432.502 1.569 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@]1(OCCO)CCOC1 1165980424 JGIHTCNHRSXDAH-SFHVURJKSA-N 443.294 1.382 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc1OC 1167322342 ZCZCUMGHXSSNCY-AVAOGFIGSA-N 430.501 1.750 30 10 IDEE CS(=O)(=O)CC1(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 1191384197 BKBXIOSYSGDEIT-UHFFFAOYSA-N 439.328 1.953 30 10 IDEE Cc1ccc(S(=O)(=O)C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)cc1 1197506154 FECVMBLJXKNZCZ-JOCHJYFZSA-N 446.617 1.926 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)CC1 1213773125 JAVPWEQCIXHIPW-UHFFFAOYSA-N 433.299 1.751 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286335149 GEMQKTGEZIFUMA-UHFFFAOYSA-N 435.536 1.168 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286337052 VHEAVMYFKRPFLD-IBGZPJMESA-N 441.580 1.786 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCN(C(C)=O)CC1 1286367738 PCNQSGIFWZQUJJ-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1286383789 OBFKNTKIBUELHH-IBGZPJMESA-N 445.589 1.921 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1286780666 HHGMANKRPWUKRB-CVEARBPZSA-N 426.587 1.202 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1286785996 MBEGXWQCXFIDEF-FXAWDEMLSA-N 426.569 1.711 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCC(OC)CC2)C1 1286807930 HXFCNGMMWBGCHX-MOPGFXCFSA-N 446.596 1.900 30 10 IDEE CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 1293784738 QXANOBYCERUPQV-UHFFFAOYSA-N 439.520 1.560 30 10 IDEE CCOCc1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297308954 GZKFKIPHPIFKIA-JVMRMLDLSA-N 429.525 1.016 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@@H]1OC 1297679901 HQVKUVVJLZYHOC-MOPGFXCFSA-N 447.561 1.739 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1CCS(C)(=O)=O 1298798578 KJIAJLWGGHOYCY-UHFFFAOYSA-N 441.355 1.831 30 10 IDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1299830535 UKRGCSGBJYHPID-IEEPAPPKSA-N 433.553 1.352 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1300311630 URSXJUPGQATYLD-JKSBSHDWSA-N 448.568 1.111 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C2CC2)N(C)C)c1 1300333331 ZPSDFIDJDKTBKA-WOJBJXKFSA-N 449.559 1.626 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1300493053 QIDZXIYPDZTEQA-INIZCTEOSA-N 426.502 1.620 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)(C)C)nc1 1300509696 SAZZARZZNKNZGA-MRXNPFEDSA-N 444.561 1.582 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1300642539 RRFQWYZBHZJHHH-DMPWYTOCSA-N 430.553 1.987 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1300673767 YQSPREDWFNXXCR-UHFFFAOYSA-N 430.512 1.684 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(OC)CCOC2)CC1 1300718676 DYHNMBWPHCIBTK-HSZRJFAPSA-N 441.507 1.856 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCOC2)CC1 1300719319 WIUSNADXPPKNKX-HSZRJFAPSA-N 439.516 1.071 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1300895353 QILMBNNCWKCXEM-VJANTYMQSA-N 449.552 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301577109 FBSKRVRTMJEKRE-YOEHRIQHSA-N 433.509 1.400 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1301585882 CWJHPJDZSFSVFJ-UHFFFAOYSA-N 449.552 1.472 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1301845799 ADPUDJFFFCXACG-INIZCTEOSA-N 425.537 1.784 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)CCO1 1303003557 IHBXXLSJYVYCOT-AWEZNQCLSA-N 439.426 1.418 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1303626992 BHHYTOBMNUQFIF-KRWDZBQOSA-N 446.577 1.809 30 10 IDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1303901552 VVVMXURRSFVYLG-JKSUJKDBSA-N 425.580 1.417 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1305639594 ALLGMHYSTDXKLF-HUUCEWRRSA-N 445.549 1.303 30 10 IDEE CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)o1 1306007549 GPWTXVOKWOFECU-IFXJQAMLSA-N 435.554 1.926 30 10 IDEE CCc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306131617 RQEDUIJENZEWJC-VXPUYCOJSA-N 429.525 1.062 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(C)c2F)CC1 1310661672 WKLHZRYPTXZJLN-UHFFFAOYSA-N 433.303 1.514 30 10 IDEE CCCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1313484623 CJEYIMZACZUAIT-CVEARBPZSA-N 425.541 1.695 30 10 IDEE COCCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1316228489 FHYSRCZPGVJNJG-UHFFFAOYSA-N 433.472 1.221 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1F 1316492590 UGSRUJTXYQBLHD-CFLQYTFWSA-N 449.508 1.073 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2OCC[C@H]2C)c1 1358902588 SQNUICHXNXFJRR-AYOQOUSVSA-N 436.516 1.710 30 10 IDEE C#CCCCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1358936805 YAUJXHDSWXCILH-NZQKXSOJSA-N 431.581 1.892 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358964775 HFGOLIKYVXHOHL-LJQANCHMSA-N 445.614 1.819 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1358966813 XILOOESPMAPDFX-SFHVURJKSA-N 444.557 1.829 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1359010326 LZXYQODSECSXIB-QGZVFWFLSA-N 437.591 1.743 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCc2ccccc21 1359019120 KQENNURFZZGYGP-DNQXCXABSA-N 440.544 1.850 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359094157 XPJFGPHMVFYBKP-FXAWDEMLSA-N 429.525 1.625 30 10 IDEE C=C(C)Cn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@@]1(OCC)CCOC1 1359125185 SJYQSAAIPDNVKD-HXUWFJFHSA-N 441.598 1.805 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1359164579 SLZJVWHKDXNCEW-IBGZPJMESA-N 438.532 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCCOC2)C1 1359326560 CSZYYSJQXOPGHU-IBGZPJMESA-N 425.555 1.024 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCCC2)CCOC1 1360348038 RKCAQGFOVGBYQK-AVRDEDQJSA-N 432.569 1.922 30 10 IDEE N#Cc1ccc(CN2CCCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)cc1 1463836184 HILNHBGUYGLWAA-UHFFFAOYSA-N 448.523 1.976 30 10 IDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)c1 1504344817 NMVVVOHKTUYVBA-HXUWFJFHSA-N 426.521 1.795 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1507536705 DMNUGGPBFLAGRY-APWZRJJASA-N 447.561 1.264 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1507570442 PBTHDQVPGVGQST-NRFANRHFSA-N 426.546 1.932 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1507622950 PEAXVSNIWYYOOG-KRWDZBQOSA-N 447.586 1.445 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(O)cc2)CC1 1507868346 IESYZLIWSODJKE-OAHLLOKOSA-N 437.953 1.965 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1508091209 SWWUVMPQNIBPGW-IBGZPJMESA-N 438.532 1.437 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1508135165 ZCSCKYXIEIPDTO-UHFFFAOYSA-N 442.545 1.476 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508167461 KKBFEOBKBFTGTJ-AWEZNQCLSA-N 434.591 1.856 30 10 IDEE COCC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1518891382 AZSSDPNTNXJJJA-JLUOLNIDSA-N 444.536 1.561 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1519161844 MOMYWIPDNDSNMA-QGZVFWFLSA-N 449.519 1.751 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1519367660 CSYKKZVDXZLIMP-LEWJYISDSA-N 441.532 1.988 30 10 IDEE COCC(C)(C)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1529535048 YUZNHDJLKPRFSH-SFHVURJKSA-N 427.505 1.332 30 10 IDEE C#CCC1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCOCC1 1537957256 FKNBLTRTPSBLBQ-MRXNPFEDSA-N 435.502 1.684 30 10 IDEE N#C[C@]12CN(C(=O)c3cnnn3-c3cccc(Cl)c3Cl)C[C@H]1CS(=O)(=O)C2 1539118051 FPYTUESWDAGJKN-MGPLVRAMSA-N 426.285 1.584 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539210826 GQQQIDYFZPKRJS-BJLQDIEVSA-N 443.573 1.892 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539216237 POXLPGLTMPMXQJ-SJLPKXTDSA-N 433.582 1.036 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCn2ccnc2C)CC1 1539484551 TUKPREAPQRGFNS-UHFFFAOYSA-N 446.559 1.825 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N2CCOCC2)CC1 1539874288 DBKHKDLNLDMRBW-QFIPXVFZSA-N 433.553 1.582 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C)C1CC1 1540108651 KVKMNRPIUQVIEV-IAGOWNOFSA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Cl 1540871831 VACLMGXSNNNSMB-HNNXBMFYSA-N 437.953 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1540903691 FJIGCSDFIIDUKP-LJQANCHMSA-N 446.577 1.217 30 10 IDEE C=CC1(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1544079079 DOWYGUUHHOCBJX-SJORKVTESA-N 442.578 1.994 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)c1 1544669743 AGYFTTHHACZLSQ-DLBZAZTESA-N 433.472 1.035 30 10 IDEE CCCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1547079088 XCEXQQTXAHIUFN-KRWDZBQOSA-N 440.570 1.168 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1554494181 PKVOXKWZZLOOIR-UHFFFAOYSA-N 438.536 1.440 30 10 IDEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1555327301 FHCROXJWYDWDKJ-IBGZPJMESA-N 426.412 1.550 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2CC2CCCC2)C1 1555812679 GSBPXTHEXBRGSQ-GOSISDBHSA-N 436.582 1.931 30 10 IDEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2 1556538767 GPZFUVWSCKZPRN-HOTGVXAUSA-N 441.919 1.736 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 1556667719 JLSAUJADUZJADT-HNNXBMFYSA-N 427.523 1.109 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1567893161 JUAIURNFMHPLCF-INIZCTEOSA-N 425.526 1.908 30 10 IDEE C#C[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C)c1ccc(Br)cc1 1584708924 XOKVYOCPADIDDG-IPELMVKDSA-N 445.317 1.962 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCCS1(=O)=O 1587979049 HJVYQQDSCQDUCO-CQSZACIVSA-N 426.502 1.631 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(Cc2ccccc2)c1 1588559861 LPGGZHPJKGEVQA-UHFFFAOYSA-N 447.543 1.893 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)CC1 1588733524 VZEFLRJZCISNSX-UHFFFAOYSA-N 449.559 1.429 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cnccc2OC)CC1 1588923692 JFITYTUGDQPBTJ-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)CCC)C1 1589068929 GCYNFJXOEDUTCK-ZWKOTPCHSA-N 439.651 1.715 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)C1 1595791237 XTXUFSNXQAXHGB-GOSISDBHSA-N 427.526 1.698 30 10 IDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](CC#N)C(F)(F)F 1596783753 RALKAQCYLZVGBQ-GXTWGEPZSA-N 435.424 1.189 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@H]([C@@H]2CCCO2)C1 1611057565 ZPCFOGGBKRPOHP-JYBIWHBTSA-N 425.485 1.870 30 10 IDEE Cc1csc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)n1 1612373852 FAKCJNMNBRLASW-CYBMUJFWSA-N 429.531 1.812 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(c2ccc(C#N)cc2F)CC1 1615384390 WYBCPWSQTFEISH-UHFFFAOYSA-N 429.418 1.298 30 10 IDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1617705547 AFABGOGSOWQWSS-QGZVFWFLSA-N 446.577 1.894 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1)[C@H]1CCOC1 1617780014 IDNDTJSECGSAHE-KRWDZBQOSA-N 436.472 1.863 30 10 IDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)c(OC)n1 1619274712 BIUZOHLRVNMEPF-KRWDZBQOSA-N 447.499 1.979 30 10 IDEE COC[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619583249 BZXWQTPMNUOZOE-FUHWJXTLSA-N 442.568 1.695 30 10 IDEE C=CCOC[C@@H](NC(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)C(=O)OC 1626208822 WUHHYVRMDWLIPA-OPAMFIHVSA-N 440.537 1.779 30 10 IDEE N#C[C@@]12CN(C(=O)Cc3ccccc3I)C[C@H]1CS(=O)(=O)C2 1626656012 QCJHPFDSWRAUEO-WFASDCNBSA-N 430.267 1.230 30 10 IDEE C=CCC[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1627752455 PJYPZPSZBPCHOP-CABCVRRESA-N 432.539 1.425 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C1 1627790094 KHFXDOLEABVVMK-FQEVSTJZSA-N 427.526 1.604 30 10 IDEE C[C@@H](CC(=O)NCc1nn(C)cc1Br)/N=C1/NS(=O)(=O)c2ccccc21 1627942344 JAQALVYTOZAWAA-JTQLQIEISA-N 440.323 1.316 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1628385738 CGDQOZUBLHZEBU-SCDSTIRESA-N 434.493 1.045 30 10 IDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1ncc[nH]1 1639599306 SSWIGKLYKFFMRM-LJQANCHMSA-N 427.461 1.947 30 10 IDEE CCOC(=O)[C@@]1(F)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC12CCC2 1641280798 WYRHCOQOEMSVLW-XOBRGWDASA-N 437.493 1.509 30 10 IDEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OC 1645502367 BUBMFBPMNXUXMR-MRXNPFEDSA-N 427.523 1.706 30 10 IDEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1646439754 QNQJJMSORKDPLO-KNBMTAEXSA-N 436.509 1.190 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1647986910 MYDYCEHQSNZCLS-CYBMUJFWSA-N 439.559 1.489 30 10 IDEE CC#CC[C@H](CO)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1654703273 GGEAXXJYRLYQRR-DLBZAZTESA-N 444.557 1.435 30 10 IDEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)ccc21 1660028670 PLQDMFQQWVYNCC-UHFFFAOYSA-N 448.589 1.957 30 10 IDEE C#CCN(C)CCCNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1686634615 XUVHUPBZYUUXMD-HYFFOGBASA-N 436.553 1.429 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)CC1 1687487545 DXFBOCQMSJSILC-QAQDUYKDSA-N 435.546 1.912 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1689916588 OFKWPHSZOAWGOL-HXUWFJFHSA-N 427.505 1.717 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCCc2ccccc2)CC1 1690122112 GSUMAAGJFTZSCY-NRFANRHFSA-N 436.560 1.634 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCN(C)C)CC1 1690124235 HVAUSBSMQYDOFT-OAQYLSRUSA-N 440.548 1.124 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1690668304 ZIRFZJFZZHCSBZ-HDICACEKSA-N 441.580 1.901 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1690746757 JDQQLWBPRCJTCG-CABCVRRESA-N 428.584 1.126 30 10 IDEE CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1690800847 GVYNOPDRSAHRNJ-WIYYLYMNSA-N 448.593 1.569 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C#N)CC2)CC1 1690868086 SFGCAMANOIRDMO-UHFFFAOYSA-N 442.955 1.898 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccc(C#N)o1 1698242247 JSNGGWHOMSMGEV-YJBOKZPZSA-N 429.477 1.904 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698485661 ALJAIKIJIFEZLQ-KCQYIYACSA-N 436.451 1.232 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)CC 1705480979 ZTQDKMFMTHVADA-IZPCHGGPSA-N 436.607 1.773 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1705490173 DEWCENNJOJTCCI-OAHLLOKOSA-N 435.532 1.812 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)c(F)c1 1705500028 DXAQCXZVZZMEKC-INIZCTEOSA-N 426.496 1.736 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705590408 KFGNIDGOIHXCJD-PKTZIBPZSA-N 425.533 1.404 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1705595822 HWJHUKJMECEFBE-BXKMTCNYSA-N 446.511 1.195 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1705604357 KXJMSIAHFYGLGT-HKUYNNGSSA-N 432.594 1.959 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)CC1 1705639839 XNJXQJHYENHPAQ-QGZVFWFLSA-N 446.602 1.101 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705884803 YECIMYSKFWNICL-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705904502 QSQRYOVANXPHGO-UHFFFAOYSA-N 428.497 1.409 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1cccs1 1705904720 WCBCXKHGOCPTEZ-HZPDHXFCSA-N 449.602 1.755 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc2[nH]ccc12 1706889774 IRFHOUXLRSRBRD-ZBFHGGJFSA-N 443.533 1.341 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1711019565 GQADNDFKKBPXEB-MOPGFXCFSA-N 444.561 1.713 30 10 IDEE COCCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1712609292 ASUFZINPVFFSSS-XLIONFOSSA-N 439.582 1.753 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1712878355 CZNZYTTTYMFWDL-HXUWFJFHSA-N 426.502 1.106 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722308040 DUPROZFWCOIRTO-DLBZAZTESA-N 436.582 1.283 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722330864 YYMHLQUIQKFOIN-SFHVURJKSA-N 447.543 1.910 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1722411378 FHMMNGODKCFAGC-PMACEKPBSA-N 439.564 1.963 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1722492875 FBECXEKFEWMJHD-MOPGFXCFSA-N 430.553 1.554 30 10 IDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722519259 TUEPUOOEWCMUGT-UHFFFAOYSA-N 446.939 1.908 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC(C)(C)C1)C1CC1 1722647239 RTZUFTIYYBUSFE-HNNXBMFYSA-N 426.587 1.154 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1722697855 RRJHSORWYVATPV-UHFFFAOYSA-N 438.517 1.061 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722700076 VMGUOCADNLBKQS-UHFFFAOYSA-N 431.629 1.774 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cc[nH]n2)C1 1722720652 NSOUZHJZBORYAS-QGZVFWFLSA-N 439.524 1.074 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnn(C)n1 1729522101 KMANDHQCFMMTDK-UHFFFAOYSA-N 434.508 1.131 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740619851 AESGGDUGQILTDW-HNNXBMFYSA-N 445.574 1.693 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1740622709 HHMLWAFILVOIQQ-CABCVRRESA-N 433.559 1.274 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CC 1740650511 CQQCCYVNNWQIIZ-OAQYLSRUSA-N 429.532 1.868 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CN2CCCC2)CC1 1740706782 CMHQJMQUDSNSGB-FQEVSTJZSA-N 449.603 1.962 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740842482 BGKOYKVAJFFFRW-UHFFFAOYSA-N 440.614 1.784 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740959780 DWWMMRDEULYUFT-HUUCEWRRSA-N 430.475 1.547 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1740963369 IPQMVBZMFXDLSI-FQEVSTJZSA-N 440.596 1.754 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740989135 AXBCJHYYBBYTKJ-SFHVURJKSA-N 446.577 1.242 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740990599 WZDKDNCOOWHBHF-MSOLQXFVSA-N 433.534 1.325 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740990613 XIIJAGLQZKDAKN-MRXNPFEDSA-N 428.518 1.927 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1746279827 IXQBDDFFDRVVAW-MSOLQXFVSA-N 437.504 1.810 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)N(C)C)CCO1 1748208466 BEFHODHQRABTEN-PMACEKPBSA-N 439.564 1.744 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1748750947 AAVYOLYNYNWCFE-KKSFZXQISA-N 432.521 1.831 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1748802397 PEXVODXGFFEGIR-OAHLLOKOSA-N 425.530 1.325 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2sccc2C1 1749023531 UGOWNMAFVIWIMQ-CYBMUJFWSA-N 425.605 1.879 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1749447417 DWFRDWKSPVVJKQ-UHFFFAOYSA-N 447.561 1.610 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC)C1CC1 1749519454 LDYHDBAUZZEYMD-KRWDZBQOSA-N 448.549 1.218 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1749528293 KVOLBPPRRXPVKQ-SFHVURJKSA-N 426.521 1.909 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2cccn2)cc1 1749829902 AUQADCPOTXOSJU-IBGZPJMESA-N 434.504 1.830 30 10 IDEE CC(=O)NCCCn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1750040001 SBUYKQUIVGVZMI-INIZCTEOSA-N 437.552 1.839 30 10 IDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1752452633 QSVKJMRUMXYGAJ-FOIQADDNSA-N 433.534 1.228 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC1CC1 1760122520 NBGVAROYKXSYAB-CQSZACIVSA-N 435.575 1.552 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NCC)CC1 1760147466 SLIRZASBFGLPCQ-UHFFFAOYSA-N 425.493 1.525 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1760190246 ZFQQIDNIKKQWEV-WOJBJXKFSA-N 449.621 1.529 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(=O)NC)c2)CC1 1760260419 RLVDGLAYIQNEIT-UHFFFAOYSA-N 430.516 1.093 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1760264226 GFMGMBQTPVHPHO-UHFFFAOYSA-N 445.531 1.245 30 10 IDEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)NC)CC1 1760397845 DMSDLISLAPNBMP-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 1760465131 XMCGDJPQVSSUSQ-UONOGXRCSA-N 433.625 1.082 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H](O)C2)C1 1760535512 SBSWWGPKEYVXOC-YLFCFFPRSA-N 427.571 1.221 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CCN2CCCS2(=O)=O)C1 1760549623 INYGIMUESWBIHI-FQEVSTJZSA-N 445.589 1.880 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccoc1C 1760554444 DSGAHLRNINKRLO-MRXNPFEDSA-N 442.563 1.319 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nnc(C)s1 1762302893 POHHKAGKNYCQAD-HNNXBMFYSA-N 432.554 1.718 30 10 IDEE CCNC(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1765641006 SPIDQDYFSFPRRB-GOSISDBHSA-N 427.509 1.291 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1767544705 ZQYBOZPWMMLMTI-QFIPXVFZSA-N 437.504 1.620 30 10 IDEE CN(C)CCOCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768518243 HZGWNYXQTWBTNA-SFHVURJKSA-N 427.528 1.839 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770599534 IYFMTYLGWBAASH-MEUCICPISA-N 426.477 1.988 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CCO1 1770748902 SXNWKKZOEOJEJY-ROUUACIJSA-N 447.586 1.842 30 10 IDEE CS(=O)(=O)CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1771352234 HZIKXVAEXPIZBN-KRWDZBQOSA-N 426.502 1.370 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CCSCCCO)cc1 1771532793 NYGHMKBWPFSXBG-UHFFFAOYSA-N 426.546 1.743 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCc4ccccc4O3)C(=O)C2)cc1 1854031899 FXCCITHGLCKCMD-LJQANCHMSA-N 425.466 1.312 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@H]2C)cc1C 1857187603 NGRNXJPSWWSIOO-OAHLLOKOSA-N 427.482 1.937 30 10 IDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862633893 QLGLEQNZRNEHAM-YPMLDQLKSA-N 442.380 1.988 30 10 IDEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCN(C)C)c(C#N)c(C)c1C 1870185500 ABKVJXLZPXNJKP-UHFFFAOYSA-N 429.546 1.758 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OC)c(=O)cc1CN(C)CCO 1870741745 BJYPCLCGQWQWGJ-UHFFFAOYSA-N 429.473 1.263 30 10 IDEE Cc1ccc(=NCCNC(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)[nH]n1 1889405573 QIDQOXXMOXMTAO-LEWJYISDSA-N 438.557 1.700 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N[C@@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2009894355 SZQPPRDSIRSAAW-SZNDQCEHSA-N 439.509 1.779 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2010406189 QVOSDPQDIGYWLF-KBPBESRZSA-N 425.335 1.840 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCO)cn1 2164497615 QDLLZFUPFAFDGY-HXUWFJFHSA-N 431.445 1.192 30 10 IDEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2227031126 IMUUOWDKKRCNHC-UHFFFAOYSA-N 444.301 1.776 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2255380510 AWDQIBOGWUASSY-ZQIUZPCESA-N 435.330 1.134 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255613425 CFKATWMSJZGNCN-AGGWBTHJSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2255627852 ZFWUUQILNXCHRJ-HIFRSBDPSA-N 432.330 1.790 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCCOCc1ccccc1 2255749401 SPFUCMVVMMKBQN-UHFFFAOYSA-N 449.382 1.995 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 2255932344 ANDKBQIWENIOSA-UHFFFAOYSA-N 444.362 1.970 30 10 IDEE C=CC1(NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)c(C)nn2C)CN(C(=O)OC(C)(C)C)C1 2267142460 UQEJWZMTQKQFDJ-UHFFFAOYSA-N 446.357 1.933 30 10 IDEE Cc1nn(C)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1B1OC(C)(C)C(C)(C)O1 2267146034 KJAPJJKYUSHDFD-CABCVRRESA-N 446.357 1.862 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2[C@@H]1CCCN2C(=O)OC(C)(C)C 2267217690 KLEUBTCKWUULFF-MCIONIFRSA-N 447.345 1.242 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2267270993 OUGPYNMPUVBMIX-QKDCVEJESA-N 444.341 1.619 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2CC3(C2)OCCO3)OC1(C)C 2267467854 QQWWHGCUFUNOFT-UHFFFAOYSA-N 430.357 1.015 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267544524 VQOQKRQRQIRWOU-JOCHJYFZSA-N 449.357 1.806 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CCNC(=O)OC(C)(C)C)C2)n1 2267544574 WOEAWTUUGRTODW-AWEZNQCLSA-N 449.361 1.491 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267872975 WSGMVHYDHJHJKP-GFCCVEGCSA-N 442.247 1.449 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)=C[C@@H]1O 2268714821 MIXFMVOGLQYJKR-HOTGVXAUSA-N 445.325 1.904 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H](CO)C1 2268718296 XBVUNWZUKJOMEL-XLOAEROZSA-N 447.341 1.985 30 10 IDEE Cc1c(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2334270116 DVXHKOHLXCDWLV-IIAWOOMASA-N 446.357 1.765 30 10 IDEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NCc2ccco2)n1N 20805407 NXTLRUMBIRUXTP-ZVBGSRNCSA-N 431.526 1.834 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 27165612 HAIKMDODRMFYGI-UHFFFAOYSA-N 431.581 1.091 30 10 IDEE COc1ccc(C=Nn2c(=O)c3c(ncn3N=Cc3ccc(OC)cc3)n(C)c2=O)cc1 252623260 ONKPAFJHCDOVJA-UHFFFAOYSA-N 432.440 1.678 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/CCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530402 ADHLLVLYTWRLEA-BJHIEMFWSA-N 447.572 1.762 30 10 IDEE biogenic C[C@H](C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409835596 XMTUTCCTLMUXRY-CYBMUJFWSA-N 446.309 1.256 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1F 427240831 FBDLCQBAUJRMMX-GFCCVEGCSA-N 434.449 1.883 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 465421981 MLJXQYLMWSZDPW-ZDUSSCGKSA-N 448.405 1.965 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@]3(CCCOC3)C2)CC1 475735336 CHTQPFNUGLLKOK-QFIPXVFZSA-N 446.573 1.284 30 10 IDEE COc1cccc(N2CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 481527173 IOTCIROLJKDTID-AEFFLSMTSA-N 442.541 1.876 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 484450311 AYVCFRNGBDAVRZ-IBGZPJMESA-N 446.467 1.692 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 511212039 CJDNTAYOOXDOIG-UHFFFAOYSA-N 449.888 1.888 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)CC2)o1 527245197 CFHIAUFGJVMOQQ-UHFFFAOYSA-N 428.537 1.132 30 10 IDEE Cc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c1 531791098 HGTRETHACJQUQD-UHFFFAOYSA-N 447.463 1.177 30 10 IDEE CCNC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 556517464 CEYBSZQCBOOXQE-SFTDATJTSA-N 429.540 1.915 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 558982133 BHVQVFOHBQWZJN-HNNXBMFYSA-N 440.595 1.842 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CN(CC)CC)C1 581837023 BSPNPNCMOYGABZ-MSOLQXFVSA-N 440.614 1.355 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1C[C@H]1CCCO1 610004081 WREJKZHYXROFAI-MRXNPFEDSA-N 439.537 1.051 30 10 IDEE CSC[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 619104137 OLCPDVNADDWBGD-OKZBNKHCSA-N 441.557 1.509 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1cccc(C#CCCO)c1 703981343 PTCCOVKHLLUZJO-UHFFFAOYSA-N 426.494 1.526 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCOCC3)cc2Br)OC1(C)C 725429564 VBNDDUQARDJGSB-UHFFFAOYSA-N 432.145 1.769 30 10 IDEE N#C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CCN1C1CC1 732652003 MCJVLMOYWUMIJI-INIZCTEOSA-N 426.336 1.563 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)N(CCC#N)c1ccc(C)c(C)c1 749561860 QLACCOFAIPICLN-VURPSTOHSA-N 427.501 1.975 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(S(=O)(=O)CC)c2)c1 762511268 OQKUVQLNLHYAGX-UHFFFAOYSA-N 440.521 1.967 30 10 IDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 769936012 SYTLIECCMTTYEX-VBKZILBWSA-N 433.871 1.445 30 10 IDEE C#CCN(C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774047384 SGUGCSJMNCTRJE-HXUWFJFHSA-N 446.573 1.047 30 10 IDEE CCn1c(=O)c2ccccc2n(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1=O 782756607 BTSDSJMMZKXECX-UHFFFAOYSA-N 447.495 1.956 30 10 IDEE Cc1cc(C)c(N2CC[C@@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)c(C)c1 788786473 ISYPOFIFQDSGGA-OSCRUYLVSA-N 425.489 1.543 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)n1 788888523 PGPBRVUIEZNQMB-MRXNPFEDSA-N 433.534 1.807 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)n1 790108985 LTHZPSZPIRPWOO-DEOSSOPVSA-N 449.511 1.490 30 10 IDEE C=CC[C@]1(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790489038 JOZIZGIANSNGLV-HXUWFJFHSA-N 444.598 1.026 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C)c1 800767284 VMZOEURFHKQHMT-GOSISDBHSA-N 443.577 1.689 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 802547904 JILBQVUEMWXEQU-UHFFFAOYSA-N 448.549 1.362 30 10 IDEE COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCn1cnc(C#N)n1)C(=O)OC2 804619958 HMJLAJONEBZDIN-YIXHJXPBSA-N 439.472 1.928 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCCc2nnnn2-c2ccccc2)cc1 918986174 HUIRWJRURWLGLH-UHFFFAOYSA-N 426.458 1.254 30 10 IDEE CCOC(=O)C1=C(c2ccc(O)c(OC)c2)[C@H](C#N)C(=N)N[C@H]1[C@@H](C#N)C(=O)OCC 1088645852 CMABWIVVRALHQJ-JCGVRSQUSA-N 426.429 1.509 30 10 IDEE CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 1125700414 DPCUQIOWTQPACE-UHFFFAOYSA-N 436.497 1.835 30 10 IDEE C=CCN(C(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1125884037 NTCWRVHPSMWAQB-LSDHHAIUSA-N 438.550 1.838 30 10 IDEE CN1Cc2ccccc2[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 1131378381 QIZNBYOSIHYDEO-UYAOXDASSA-N 431.452 1.593 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1146247671 OIIPDQCCWCBVPR-OAHLLOKOSA-N 444.550 1.214 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OCC)nn3)CC2)c1 1148537574 MJPOPWLUPPNGGH-UHFFFAOYSA-N 431.518 1.302 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2sc(SC(F)(F)F)nc2C)CC1 1152973414 IUHJVBTYPHBPGM-UHFFFAOYSA-N 442.510 1.218 30 10 IDEE CCOC(=O)CNC(=O)C1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 1168301931 GKEVBTVJDYDZBK-KRWDZBQOSA-N 444.532 1.722 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1171490923 QYVNALGZJXXOPH-IBGZPJMESA-N 431.558 1.457 30 10 IDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(c2ccc(F)cc2C#N)CC1 1197040956 CBOURFDKRRAGMW-UHFFFAOYSA-N 429.418 1.298 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(OCC)c1 1286377179 UASDWZBQNWCQLC-LJQANCHMSA-N 447.561 1.322 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1286379285 MLYFJUICBWUHAL-UHFFFAOYSA-N 442.545 1.692 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1286391630 FFODOHAOTDOBJF-GJZGRUSLSA-N 432.493 1.776 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)NC 1286399384 FXUQIUCWOHHTOH-GOSISDBHSA-N 429.546 1.657 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1286448420 UQMFUVBFQMUNRX-HZPDHXFCSA-N 443.639 1.848 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[S@@](=O)CC 1286460612 HHXOCQAMBWGJKZ-PMERELPUSA-N 431.537 1.948 30 10 IDEE C#CCSCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1286499279 GTLNWBYVSZJTBN-AWEZNQCLSA-N 445.545 1.649 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1286599905 DTNUQAHUUGETHS-FUHWJXTLSA-N 441.598 1.734 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1)C1CC1 1286731905 GJQHNMHFYGXQOU-CQSZACIVSA-N 429.612 1.955 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286789155 BQYYIXUCLNCDHN-INIZCTEOSA-N 432.550 1.948 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC)C1 1286816500 FTVBWUANCWBOSA-HUUCEWRRSA-N 433.600 1.116 30 10 IDEE CN(CC1CC(F)C1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298487382 MZRDAHTZIHIUMQ-MRCUWXFGSA-N 439.495 1.975 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](N2CCOC2=O)C1 1300401767 NSIRVWUQVQMBQC-OAHLLOKOSA-N 434.518 1.339 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1300483973 NLDRBMGUYUXHTR-KUDFPVQQSA-N 433.578 1.429 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300501718 NDKTURSHKZMFKP-GOSISDBHSA-N 429.546 1.196 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1300527407 HLUCVXVRAUQXIQ-QGZVFWFLSA-N 443.511 1.416 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1300883560 CUNJAQZUPAJBFM-NSHGMRRFSA-N 433.553 1.448 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1301497659 AGWCROJHYXSVQS-KRWDZBQOSA-N 445.568 1.006 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](COCC)C1 1301584449 AIPLJWHBFOFNFA-CVEARBPZSA-N 425.555 1.083 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1301617404 DXRWHTNNYQYFDN-RTBURBONSA-N 448.637 1.867 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1301972842 ZCSJXBXUVGFOJT-ZFWWWQNUSA-N 429.550 1.780 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCCN2CCOCC2)c1 1302986383 GASUVNAIDSLDLE-HXUWFJFHSA-N 437.548 1.631 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1316154856 AYNTYGLWFDNOPU-AOMKIAJQSA-N 426.521 1.988 30 10 IDEE Cc1ccccc1C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 1321819911 XXDMBPNYXLKJET-KRWDZBQOSA-N 448.548 1.825 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)NCCSCc3ccccc3C#N)CC2=O)cn1 1352845389 DCHYMQAFEBJLDX-GOSISDBHSA-N 427.530 1.804 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1358957541 VUEQGGNCPREOQB-LPHOPBHVSA-N 442.607 1.310 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1358977227 HPUAVOSTZZVGQC-ROUUACIJSA-N 440.548 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCn1cc(Br)cn1 1358984482 XLXOJFXQHHXFPS-UHFFFAOYSA-N 432.326 1.538 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1358998279 YIEANGRTAATEMT-FQEVSTJZSA-N 448.527 1.925 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1359018607 WPOBWOLYBSDIAE-WOJBJXKFSA-N 430.597 1.968 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@]2(C)CN(C)C2=O)n1 1359027586 OQOAILYWXKGRNG-QFIPXVFZSA-N 436.520 1.234 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1359301560 BYMWMUNXJWNBMB-UHFFFAOYSA-N 438.511 1.370 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359335685 RRQYQUORWIAIJA-VQIMIIECSA-N 428.555 1.190 30 10 IDEE Cn1nc2c(c1C(=O)Oc1c(F)cc(C#N)cc1Br)CS(=O)(=O)CC2 1437997364 IRTDIAVGXZVIMV-UHFFFAOYSA-N 428.239 1.883 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c1 1440708173 NAPLAVWSENIBHA-ZUEVXXBESA-N 437.543 1.698 30 10 IDEE Cn1cc(CNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c(-c2ccc(C#N)cc2)n1 1447592700 IHIALLRZHVXYIZ-QHCPKHFHSA-N 428.452 1.943 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@]3(C#N)CCc4ccccc4C3)c(CCO)c2=O)n1 1447866371 MGTZINRRCPDDDJ-QHCPKHFHSA-N 432.484 1.288 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454874550 HKBKGQVTNRGUGF-AWEZNQCLSA-N 434.468 1.852 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)ccc1OC 1456304939 PDVOWABKKQEAIC-CQSZACIVSA-N 432.502 1.511 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(I)ccc3O)C[C@H]1CS(=O)(=O)C2 1456615371 ZOHMRDYQFDBTMZ-LKFCYVNXSA-N 432.239 1.007 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 1460168221 GWSNDOPNCAOWPS-UHFFFAOYSA-N 443.529 1.032 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)C1 1469727748 BJDQDDPMJPZPAX-ZNMIVQPWSA-N 432.481 1.789 30 10 IDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)COC1 1470328854 VVCJEWMRZKSXRO-UHFFFAOYSA-N 427.454 1.146 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)C1 1471335227 CNJZFGHJRRMBPR-RBUKOAKNSA-N 449.596 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1478747811 AQJWBMDXSPWYPO-MDOVXXIYSA-N 438.550 1.356 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CCC2)CCO1 1503770382 FJFMULCOGUESSM-LJQANCHMSA-N 438.532 1.975 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)C(=O)OC(C)(C)C 1507517606 QOGUJKPGXLFEEU-LSDHHAIUSA-N 442.586 1.603 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1507531769 DAWVBGUCHGKZBA-DLBZAZTESA-N 436.516 1.938 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507560660 MHTCHLWCJIWCQF-QGZVFWFLSA-N 428.504 1.915 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507572370 HSVCBOCESCRJNW-KRWDZBQOSA-N 437.504 1.166 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCc2ccccc21 1507616351 JKSWCLIWGXRRIX-AZUAARDMSA-N 443.573 1.801 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1507636173 ZWSVIUXJBJEXAG-GOSISDBHSA-N 426.502 1.235 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCN(CC)CC2)CC1 1507732742 XHTMXUYYELSHHR-OAQYLSRUSA-N 429.613 1.303 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1507750097 IQQLUPNHDATGTN-UHFFFAOYSA-N 436.545 1.832 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1507813056 RUQSMOWJWFWWKT-WBVHZDCISA-N 426.587 1.549 30 10 IDEE C=C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)CC1 1507884937 OCQCPZXYMSHICF-INIZCTEOSA-N 434.541 1.879 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1507941924 ADIKXHYBKBPXJY-OAHLLOKOSA-N 434.570 1.280 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508136247 DKLRRVVGQUVHTQ-SFHVURJKSA-N 448.593 1.043 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508137758 QWFRNYZVGZZPGT-QGZVFWFLSA-N 446.577 1.476 30 10 IDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1512677180 ONDLOEYXQJHJFF-GEQKSPFYSA-N 438.532 1.947 30 10 IDEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1515573443 DEBKBVLGANERJO-SFHVURJKSA-N 445.593 1.534 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1520652919 IAAYTMSWXNKHTK-VQIMIIECSA-N 444.561 1.713 30 10 IDEE CC[C@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1530451000 BZWTVGIQJXXAJJ-SNVBAGLBSA-N 435.287 1.916 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)CC2)cc1 1536760581 NMSRHCFTGDEGOX-GOSISDBHSA-N 430.530 1.086 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)n(C)c1=O 1538726776 MDDWYRGWNNEBPR-YUMQZZPRSA-N 435.271 1.327 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCOCC1 1538974471 VJKWVPGOJZLTOR-ZDUSSCGKSA-N 435.326 1.363 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cccn(CC)c1=O 1539406230 WUJPYWCPRRYKGP-UHFFFAOYSA-N 435.484 1.990 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1539428906 XQKRAWLBAXELNZ-FQEVSTJZSA-N 427.597 1.390 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1539452345 PXAHFVANOCGBLW-FQEVSTJZSA-N 443.640 1.565 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)COC(=O)N2 1539491471 RLWUAXRFTWHRGV-UHFFFAOYSA-N 434.566 1.642 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539617217 UYTCZWIHBFNSJE-IKGGRYGDSA-N 428.541 1.915 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1539752383 LPYNANMXWKHAEX-IBGZPJMESA-N 429.521 1.421 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1540054230 OBHLVEXOGWQNMA-HNNXBMFYSA-N 438.575 1.796 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN2CCOCC2)c1 1540072148 JNDNFQUORBRSDF-FQEVSTJZSA-N 445.589 1.683 30 10 IDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1540109140 WKULJKXHJXZLFW-GOSISDBHSA-N 438.532 1.590 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1540854963 PZRBYXSKOSTWNR-INIZCTEOSA-N 430.490 1.804 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1 1545055245 FAHDEMXYECTMDP-IBGZPJMESA-N 444.488 1.825 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1546576883 BXNWTKXIFCBXJP-SFHVURJKSA-N 442.545 1.356 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@H]1C 1547648993 DZMOCUVGWXMVFA-QZTJIDSGSA-N 435.536 1.939 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)COCCOC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367859 RNLNFQANXGAHBS-INIZCTEOSA-N 428.411 1.003 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1558373677 OPSJSDMYESYEJM-JOCHJYFZSA-N 445.520 1.850 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1583766728 MXCXXZNEWCEFKW-NRFANRHFSA-N 439.578 1.806 30 10 IDEE COc1cc(N)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1S(C)(=O)=O 1583966632 QUKKVUMGWKLYKB-UHFFFAOYSA-N 430.530 1.757 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccs2)c1 1587693200 QWDPRSDWHBFYAP-KRWDZBQOSA-N 449.540 1.985 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588003342 WBFLKASOZZEGAZ-AEFFLSMTSA-N 448.618 1.907 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnccc1OC 1588124789 RJGADTYLPDHCCY-UHFFFAOYSA-N 439.479 1.717 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1588128087 BWZKYSDWOULRGT-ZWKOTPCHSA-N 446.511 1.288 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1588646835 NINPNMORMYVEKL-MRXNPFEDSA-N 435.550 1.563 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1593887355 YTGUSBRFRDOHGK-HUUCEWRRSA-N 429.974 1.674 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1594566287 DKUOVSFYYHVFLZ-CQSZACIVSA-N 438.520 1.929 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1594963288 RCPMLUDVRNGSBS-YESZJQIVSA-N 425.555 1.214 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1595405078 BFBKUFPWTOLNBW-HZPDHXFCSA-N 427.571 1.581 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595884610 OQMCAMSGRDJMFU-MRXNPFEDSA-N 429.612 1.467 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)c(F)c1 1597468226 FZQBBZXCWFAPMT-UHFFFAOYSA-N 433.461 1.657 30 10 IDEE C[C@@H]1CN(c2ccc(Cn3c([C@@H]4CCC(=O)N4)nnc3N(C)[C@H](C)CC#N)cn2)CCO1 1612882669 BLOQJMVTOJEOHF-NUJGCVRESA-N 438.536 1.636 30 10 IDEE CN(OC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1618365051 SUNATDXMEGTEHE-HXUWFJFHSA-N 431.518 1.677 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1624813985 NKLYNJAGPHQEJA-NXEZZACHSA-N 445.261 1.812 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)c1 1625309880 WCEUQBTXJHMQRP-UHFFFAOYSA-N 427.482 1.923 30 10 IDEE C=CC1(CC(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1625790224 BPWUUEMUYMKENG-INIZCTEOSA-N 430.567 1.852 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3ccccc3n2Cc2ccncc2)CC1 1628147175 YMDSEJIRDUXELT-UHFFFAOYSA-N 429.524 1.982 30 10 IDEE CC(C)(C)OC(=O)N1[C@H](CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)COC1(C)C 1628386291 SRODFSCCRPTZOI-IAFNSTAXSA-N 436.509 1.781 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)N2CCC(OC)CC2)s1 1629356308 CHWIJRVILZIVCD-UHFFFAOYSA-N 429.608 1.761 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c1 1631176855 UYIWNEFHIPZOSD-NSHDSACASA-N 428.388 1.571 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)s1 1635994138 JDMGEILYJUPKNX-LSDHHAIUSA-N 433.555 1.563 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC)cc1 1639667236 DNHNTPZURLDGCY-HXUWFJFHSA-N 425.510 1.301 30 10 IDEE C[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1640637433 ZEAMJIHEQHRNDD-GJZGRUSLSA-N 445.520 1.877 30 10 IDEE N#Cc1cn(CCNC(=O)c2ccc(I)cc2Cl)c(=O)nc1O 1641033710 GLNYFBLCOHRRMF-UHFFFAOYSA-N 444.616 1.509 30 10 IDEE C[C@H](C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)n1cnc(C#N)n1 1641390177 RIFGOINSZPLGSO-OAHLLOKOSA-N 447.540 1.465 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccnn3-c3ccccn3)CC2)cc1 1670252691 CLQZYGQKBHRWSA-UHFFFAOYSA-N 437.485 1.677 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(CCc4cnccn4)CC3)C2=O)cc1 1672358042 NWHAVFGKTBCVPQ-OAQYLSRUSA-N 433.516 1.019 30 10 IDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCO2)O1 1681515119 FVZBZNUDUJNQFH-QYZOEREBSA-N 428.489 1.616 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)NCCNC(=O)c3ccc(Br)cn3)C2)cc1 1682665206 TYGXVJPEWNHNIQ-UHFFFAOYSA-N 444.289 1.918 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1689851481 RLYQDYFTXXIPHH-CRAIPNDOSA-N 429.546 1.436 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 1690139703 XYMUBLLNWYVQHP-UHFFFAOYSA-N 438.923 1.741 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1690179028 KJXSXWDIBUQNQO-KRWDZBQOSA-N 425.518 1.900 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690228884 HSZFUQUMMDBLKH-HOTGVXAUSA-N 426.359 1.849 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693822622 CHPVBFDFJXQKAP-IWHJNQCMSA-N 428.518 1.682 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1696839477 YOSSDLHAOMKABE-SFHVURJKSA-N 433.534 1.493 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1)OC 1697756817 HFJVRMAHOZKVPV-IBGZPJMESA-N 439.520 1.472 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCOCC1 1698245136 AAQPKFMGJTXBFC-WFXMLNOXSA-N 436.532 1.556 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1705568721 UGHUHSPURUFFIQ-GOSISDBHSA-N 447.561 1.672 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1705582450 BGTHBKYRTOKQNV-DAWZGUTISA-N 433.578 1.681 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1705604165 HCVDKLYIHIJUDY-HNNXBMFYSA-N 432.550 1.146 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1705627480 HVBDGKORGYWUAV-AWEZNQCLSA-N 433.310 1.521 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@](=O)C(C)(C)C)CC1 1705642283 NVJJVGSXQLYFKQ-PMERELPUSA-N 431.610 1.442 30 10 IDEE C=CCCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705820309 IQFQOFPSFYPMTN-UHFFFAOYSA-N 435.598 1.996 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C1CC1)C1CC1 1705853494 BVGTZUBGWYHKGF-DLBZAZTESA-N 425.555 1.191 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705901067 ZISGRRPQSJBBDF-UHFFFAOYSA-N 447.478 1.375 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC 1705931249 KEXSBVYWHSEQCW-UHFFFAOYSA-N 441.579 1.252 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705933067 SRSFQMLSFUIYFO-QGZVFWFLSA-N 438.575 1.559 30 10 IDEE C=CCSCCn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705949478 ZMLGDINQRIGUOI-UHFFFAOYSA-N 430.582 1.974 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1706072591 FOQBVBWVFRTYOS-VLIAUNLRSA-N 431.566 1.995 30 10 IDEE CC(C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706635427 NJCYJWDJANMTQX-GOSISDBHSA-N 439.520 1.969 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706970247 BXQJUOHPNWTSAH-MRXNPFEDSA-N 449.519 1.685 30 10 IDEE Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)cnn1C 1707019663 AUJMDPKCHQOESL-CQSZACIVSA-N 442.549 1.487 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1708475440 ZALPYZMZOIEXAL-MEUCICPISA-N 441.536 1.425 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCn1cnnn1 1709138591 KHSHWQNBHXQOPU-UHFFFAOYSA-N 426.916 1.769 30 10 IDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1709674507 ZBIHQAJNNXZHEP-UHFFFAOYSA-N 426.521 1.928 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1710875599 CSWDDQBIBPYZRZ-MSOLQXFVSA-N 437.529 1.913 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1712421420 BXWMMMYFIBFBCI-JOCHJYFZSA-N 439.520 1.426 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(NC(C)=O)cc1 1712565959 JLKCGXROJISATB-UZLBHIALSA-N 442.520 1.932 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H](C)O1 1712850867 GCVZXWQECSTOQE-UEXGIBASSA-N 440.548 1.778 30 10 IDEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCOC4)n3CCOCCCO)CCO2)c1 1712879391 YRUSKWXBWGJHGA-VQTJNVASSA-N 427.505 1.631 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722363410 SNBGWPCFBCTWIF-PLMTUMEDSA-N 430.530 1.112 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1722363608 ASHUBIWZWUKLBQ-PMACEKPBSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnccc1OC 1722382902 KFPOAVPZBTWMRH-UHFFFAOYSA-N 442.527 1.977 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C)ccc1OC 1722383766 RCHHSSOECOIDHA-LJQANCHMSA-N 426.542 1.813 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1722397513 RCZIPWDOTPDDOC-IBGZPJMESA-N 449.540 1.477 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)NCC)CCC1 1722398370 WWIHRQZYNVMFPT-UHFFFAOYSA-N 436.516 1.775 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccs2)CC1 1722444043 STIKOQKNFHICGW-OAQYLSRUSA-N 444.561 1.401 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722616681 BEZFRTKCBSFEDB-KRWDZBQOSA-N 434.566 1.765 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1)C1CC1 1722650792 LATNUQYZKMDEPV-DOTOQJQBSA-N 425.555 1.192 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1730730789 BBWYSRPDKQFDQB-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(C)(C)O 1730872548 XVUHPYKYSVQJDI-QGZVFWFLSA-N 443.552 1.756 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C1 1730996258 FZTTXUMTIHZHNQ-FXAWDEMLSA-N 447.586 1.698 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC(=O)N(C)CC)c1 1740564614 SISWGGLJSOKMOL-UHFFFAOYSA-N 445.527 1.798 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740626583 BYIVCGYCOGOQKJ-QYZOEREBSA-N 437.610 1.562 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCC(=O)NC)CC1 1740700337 OZAUBLPJPWBZKN-UHFFFAOYSA-N 428.562 1.470 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccncc2)CC1 1740708242 IFXDHWPGUMYQDQ-UHFFFAOYSA-N 435.532 1.004 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740789510 FTYJEKNWJJHEDL-RTBURBONSA-N 425.489 1.770 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740791704 APNUVZDTRCEION-IRXDYDNUSA-N 432.569 1.953 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1740792316 HNMNFFASIIJFEI-KRWDZBQOSA-N 431.566 1.601 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC(C)C)CC1 1740825258 LBOMZTSKRIONTN-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740943980 PPHSCRXXHKGJFQ-QAPCUYQASA-N 444.561 1.344 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](NC(C)=O)C1 1740953721 PELOIALTXNTULV-SFHVURJKSA-N 448.531 1.742 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCC[C@@H]2C)C1 1740972047 CDQAWDDIZMZZEN-GGXPGOJBSA-N 427.571 1.221 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CN(CC(C)C)CCO1 1742835132 DFLBGBHRGMTFNQ-PKOBYXMFSA-N 439.568 1.320 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1747971813 SSRNJFLWSQJXDY-OAQYLSRUSA-N 440.548 1.781 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1748710038 DSGVQZKMECYMBF-FQEVSTJZSA-N 438.580 1.705 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)CC1 1748735246 DZICTJKULWZQGI-UHFFFAOYSA-N 429.550 1.286 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc2[nH]ccc12 1748790192 FWRCTBXKISKTEX-IBGZPJMESA-N 442.545 1.404 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@@H]1C 1748876403 DRISNTUGWICHMY-FDDCHVKYSA-N 430.516 1.935 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1748892536 QQYUBCVSBQNOLF-SFHVURJKSA-N 433.578 1.654 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1748901870 CAAVFGZVCBTCOR-KRWDZBQOSA-N 428.537 1.901 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)N1CCOCC1 1749026859 RSBAQVYPVORNKS-UHFFFAOYSA-N 443.529 1.335 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1749677347 WRHJIPWXLKWYEL-UHFFFAOYSA-N 440.523 1.563 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1750389431 ZTWLVBWZSHUZAF-KGLIPLIRSA-N 437.472 1.311 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1760180892 MRLUJGYVKJYRIW-INIZCTEOSA-N 435.937 1.361 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(N)=O)nc1 1760250787 MKSQRNRHAKFXMC-UHFFFAOYSA-N 425.518 1.262 30 10 IDEE C#CCN1CCN(c2nnc(C)n2C[C@@H]2C[C@H]3COC[C@@H]3N2C(=O)OC(C)(C)C)CC1 1760256473 HGOKUXKNOWYAHH-FHWLQOOXSA-N 430.553 1.366 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(N)=O)cc2)CC1 1760268102 LQPRQVMPUVGFCA-UHFFFAOYSA-N 443.511 1.453 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1760382612 UUXHWOKKGFRHCH-HNNXBMFYSA-N 444.561 1.379 30 10 IDEE C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760446620 XTBBHHGOTVLWES-IBGZPJMESA-N 438.532 1.247 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](COC)C1 1760516312 LESOEESQABFQDA-YJBOKZPZSA-N 433.484 1.711 30 10 IDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1763167485 QPFPYRYCVRVHMQ-UHOSZYNNSA-N 428.562 1.866 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](CC)OC)CC1 1765632915 FIKJUTOIZWFRKG-IBGZPJMESA-N 425.537 1.500 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766255245 DEYZTVHMQYQTCU-MRXNPFEDSA-N 441.511 1.646 30 10 IDEE CNC(=O)c1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1767641083 DBFJWTAMHYRWAU-CQSZACIVSA-N 445.549 1.036 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768166776 QBAIHXFXSGKTIJ-YKNSSVCLSA-N 437.504 1.872 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1770010935 CCKOZJWANMMZRH-ZNUSLJCYSA-N 444.536 1.907 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1770156057 BFELRDGCPLGCTK-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cnccn3)n1CCCOC(F)F)C2 1771531932 ISDJSFONAWIESI-UHFFFAOYSA-N 428.403 1.899 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1772567343 RRIUTIAZHRZOQC-KRWDZBQOSA-N 436.520 1.691 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)c2ccc(C#N)cc2)CC1 1848572472 VGBBVSMXJRDIPT-HXUWFJFHSA-N 441.557 1.736 30 10 IDEE Cc1ccc(C)c(N(C(=O)CN2CCNS2(=O)=O)c2nccc(N(C)C)c2C#N)c1 1851662596 YZUDVYASUZFERJ-UHFFFAOYSA-N 428.518 1.451 30 10 IDEE CN(C)[C@@H](C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N)c1cnn(C)c1 1852758577 ISEZWIYDISXEID-OAHLLOKOSA-N 437.957 1.370 30 10 IDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)CC(F)(F)F)C3=O)CC2)CC1 1854366238 CKQBIAXSOYNFFN-MRXNPFEDSA-N 428.455 1.931 30 10 IDEE COc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854388216 LLROMSNORDFOGP-IAGOWNOFSA-N 431.514 1.636 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1 1858650398 BTBUWZAMCARDBD-UHFFFAOYSA-N 448.457 1.707 30 10 IDEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 1869930051 RWAUBAGFTUOYDW-KRWDZBQOSA-N 427.530 1.638 30 10 IDEE N#Cc1ccc(COc2cn(CCOCCO)c(CN3CCC(CO)CC3)cc2=O)cc1 1870350213 VFSIWMADHXNERS-UHFFFAOYSA-N 441.528 1.512 30 10 IDEE COc1ccc(-c2nc(C3=C(N)N(CCN4CCOCC4)CC3=O)sc2C)c(OC)c1 1873528089 GGMDJWWHYDNHJA-UHFFFAOYSA-N 444.557 1.980 30 10 IDEE CCn1nc(Br)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1881513719 SDNYMGCLGYJASW-VXGBXAGGSA-N 428.335 1.505 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406192 ZLRYOAHYVRDDST-WDEREUQCSA-N 442.322 1.545 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(NC(=O)OC(C)(C)C)C1 2255624845 JDSHWXSZJGJXRD-UHFFFAOYSA-N 434.346 1.988 30 10 IDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255637322 BJIZZXVSYICENS-UHFFFAOYSA-N 449.342 1.864 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255670268 WODARPMELOYJQR-SCAQPMJSSA-N 431.342 1.919 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255826670 RAEMXJSYODUVQJ-CHWSQXEVSA-N 438.309 1.786 30 10 IDEE Cn1cc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)nc1B1OC(C)(C)C(C)(C)O1 2258236486 KOSMSBWQTRIPGX-UHFFFAOYSA-N 430.236 1.002 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267000344 WYOYBNFCOSTCJF-IBGZPJMESA-N 436.365 1.585 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267120229 HESMSELLHFWSIN-GOSISDBHSA-N 440.353 1.350 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267539777 NCRXZURJDCKGOT-HOCLYGCPSA-N 446.357 1.801 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267549350 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C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1539803145 FKWVNKHXLDJKHP-LSDHHAIUSA-N 429.974 1.626 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)C)CC1 1539847999 KLGSCIBQBRYGSX-SJORKVTESA-N 427.571 1.438 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)C(=O)NCC 1540054150 KZRUUBWAKOIGSU-UHFFFAOYSA-N 448.593 1.980 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540858176 KWOYXDKDLMKWMP-BTYIYWSLSA-N 448.524 1.803 30 10 IDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1544065891 AJZUEKJGEIURPX-BRSBDYLESA-N 436.582 1.029 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)CCO1 1554451333 FDQCUEOHMAOHCL-SJLPKXTDSA-N 442.545 1.433 30 10 IDEE C=CCC1(O)CN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1558316666 JKOSGIOJMGKQBV-NRFANRHFSA-N 426.510 1.484 30 10 IDEE Cc1cc2nc(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)cc(N(C)C)n2n1 1559017155 AGAJOLQQUULHOF-GFCCVEGCSA-N 441.517 1.560 30 10 IDEE CN(C)C(=O)N(C)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1560033196 MISBXMIXNHARIO-VQTJNVASSA-N 430.528 1.222 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)CC1 1561296584 QNNRSURVAHCAEP-UHFFFAOYSA-N 449.451 1.040 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCN2CCOCC2)Cc2ccco2)c1 1561654778 WPWBXCXLCUNWFT-UHFFFAOYSA-N 433.530 1.719 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1567388516 ZBRZTZJOHMHSCY-FQSKDFRHSA-N 438.525 1.622 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)CCOC 1587620476 FWDUSRJTFHZLPG-KRWDZBQOSA-N 437.548 1.711 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1588049764 LERJSENXDQUPDH-INIZCTEOSA-N 444.561 1.206 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1 1588276931 DFZPCQDHXJTWKL-IBGZPJMESA-N 445.585 1.642 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1588385635 IZYPUSBIQFXZPE-HXUWFJFHSA-N 445.589 1.930 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1588646765 MXBGGRMBVUAAGR-QGZVFWFLSA-N 446.529 1.086 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CCC)OC)CC1 1588876760 HVPHIZWGVGGZLG-SFHVURJKSA-N 430.553 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2conc2COC)CC1 1588913898 STHRSRXDQVKYSG-UHFFFAOYSA-N 435.488 1.489 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1CCCO 1589164122 QNANTXHFSVAQTC-PMOQBDJRSA-N 431.581 1.769 30 10 IDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1589294802 AIJIWUPYUZGDJA-AWEZNQCLSA-N 449.419 1.717 30 10 IDEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1593769818 SFERGZSPCNTBIK-LJQANCHMSA-N 443.548 1.979 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1598055340 VBMVUIPCNSGKOR-BEFAXECRSA-N 439.586 1.181 30 10 IDEE N#C[C@]12CN(C(=O)c3ccccc3CS(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1616336140 LAQUQCFFEZNGFN-LAUBAEHRSA-N 444.534 1.671 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)C(C)(C)C)CC1=O 1618479371 CEDFVTLRZZABGG-UHFFFAOYSA-N 430.534 1.308 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC(CCCO)CC1 1620384872 HUSVZCKJAOOHHE-XUTLUUPISA-N 439.520 1.789 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nnc(O)n3CC)CC2)s1 1627560399 VEMJRSUXJIREGZ-UHFFFAOYSA-N 439.563 1.478 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)ccc1OC 1627826574 GNTHUVBIHZNANQ-AWEZNQCLSA-N 433.490 1.137 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)c(CCO)c2=O)n1 1631478432 BWNJWJHCZWEIEO-UHFFFAOYSA-N 432.484 1.784 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C[C@@H]12 1633118146 CKIKXCOPOIWBBV-JQHSSLGASA-N 435.351 1.178 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)C2)c1 1634254940 HRQNQXVIBKGCAE-FQEVSTJZSA-N 440.525 1.952 30 10 IDEE N#Cc1cn(C2CN(C(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)C2)c(=O)nc1O 1637512886 ITHAAYGNANIXRB-UHFFFAOYSA-N 443.410 1.034 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)c(=O)c1C#N 1638643729 CHGLZDSUSSVXHS-CNDDSTCGSA-N 428.308 1.525 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3c(F)cccc3I)C2)c(=O)nc1O 1640637383 YLNJOJBZJRCZOZ-UHFFFAOYSA-N 440.172 1.261 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1644291214 AHOWHORZJZXCJB-QHCPKHFHSA-N 439.537 1.835 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)cc1 1648532356 CVRBCCFIBJUTLG-UHFFFAOYSA-N 437.543 1.477 30 10 IDEE C=C(Cl)CSc1nc(C)c(CC(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)s1 1650791324 DELKZXNUXZPNRN-MHWZDGSBSA-N 425.919 1.808 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCCO2 1652093632 DZGRDHSQMIYRBL-HNNXBMFYSA-N 429.498 1.745 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 1653160850 SKRPSGVOUQJKNB-YQQQUEKLSA-N 440.610 1.640 30 10 IDEE Cc1c(C#N)c(NC(=O)CNC(CO)(CO)C(F)(F)F)n(-c2cccc(F)c2)c1C 1655124123 CWTFNQYGCRISLD-UHFFFAOYSA-N 428.386 1.919 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3OCc4ccccc43)CC2)cc1 1676785217 GFEGMRCFLVLPCI-HXUWFJFHSA-N 426.498 1.846 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)C1 1681433793 JKXRHPVDDNEEMS-JYJNAYRXSA-N 426.539 1.354 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)C(=O)C1 1689886979 LPDVHNRZKJSOLK-UHFFFAOYSA-N 428.493 1.104 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1690019213 CWXAHMZGQORUGQ-GOSISDBHSA-N 440.525 1.347 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC1CC1 1690087347 UMRLKCUUBIHWJK-UHFFFAOYSA-N 438.507 1.819 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccs2)CC1 1690363933 FHERHIIGEXVIDM-AWEZNQCLSA-N 438.579 1.536 30 10 IDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690508867 RLFYFDQYEOLFKJ-MJGOQNOKSA-N 448.593 1.575 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690663621 BUDCNPNHJPJFEY-UHFFFAOYSA-N 441.536 1.875 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CC2)C1 1690688282 RUHHBPGMGCBKDW-QGZVFWFLSA-N 447.561 1.502 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccco2)N(C)C)C1 1690700773 XOWRWPWCHVRFER-KURKYZTESA-N 449.577 1.857 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1692498432 FFWYIXYUFNYJMA-QGZVFWFLSA-N 425.537 1.645 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)cs1 1693360403 HMWXLSQHNSPHLC-GOSISDBHSA-N 431.566 1.209 30 10 IDEE C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1693754299 RPAJBJDSIUQEGU-YKHTYXQRSA-N 427.509 1.133 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC=C 1705474989 NSKJLFNFZLODPD-OAHLLOKOSA-N 449.964 1.920 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705511650 BCMNICWAOCGQLA-QFIPXVFZSA-N 433.520 1.687 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705562553 FHXBFNYFCUKAEN-RDJZCZTQSA-N 445.545 1.388 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570038 JXPVVNFFWJFVAW-IBGZPJMESA-N 443.573 1.282 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNS(C)(=O)=O)CC1 1705633927 BYTPBOPOUGKKCE-UHFFFAOYSA-N 436.969 1.293 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCN(C)C(C)C)CC1 1705636316 FUYOXPPNTSINKJ-UHFFFAOYSA-N 448.579 1.406 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705641112 QVAUYHHCRAPILH-UHFFFAOYSA-N 443.555 1.817 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCOC2)C1 1705740032 ZNYKKLQVNNUFST-NRFANRHFSA-N 447.561 1.858 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705741365 NSIMVNASCJVKBW-BZSNNMDCSA-N 442.582 1.608 30 10 IDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC(N2CCNC2=O)CC1 1705831625 YFRAFNIQSZEYEP-UHFFFAOYSA-N 425.537 1.851 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705832150 OJLNPNWKZAAEGD-KRWDZBQOSA-N 439.582 1.397 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1711026120 FOQSBKDTPWDHSQ-SJORKVTESA-N 442.545 1.355 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1722296073 NIKWXJDFAQIPOS-IEBWSBKVSA-N 431.562 1.620 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCNS(C)(=O)=O 1722353224 UHWXQJRIYYNDEH-UHFFFAOYSA-N 440.570 1.011 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722358714 LEVJEEQJKLXFNU-HOTGVXAUSA-N 439.582 1.104 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1722362609 VFJZCNWZWSKQPS-KRWDZBQOSA-N 429.546 1.662 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCOCC1 1722638158 OYNVCVJKPFZQLV-UHFFFAOYSA-N 433.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722695077 RUAQSGUATZXWDO-ZHRRBRCNSA-N 427.505 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1722731257 IISRRJSNWYTUPX-UHFFFAOYSA-N 443.577 1.770 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)F 1722987011 JFZVZOGDOKNQGH-QWHCGFSZSA-N 446.430 1.878 30 10 IDEE CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1728011211 NALDCQPFFBTMJE-QGZVFWFLSA-N 425.541 1.660 30 10 IDEE CCN1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728632188 SDEBVKSJMAEMBR-NRFANRHFSA-N 438.580 1.410 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1740580124 XSTNTOMKELBYKO-UHFFFAOYSA-N 426.525 1.263 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1740616126 SVZXYHANDKLSNT-QGZVFWFLSA-N 444.561 1.604 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(=O)NC 1740633171 YGEINIDHNRUPGU-UHFFFAOYSA-N 431.338 1.891 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCN2CCCC2)CC1 1740696235 OTKKWSCEGTUXQD-FQEVSTJZSA-N 448.637 1.202 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1740704083 JYSGCKWTQDHWNQ-LJQANCHMSA-N 431.500 1.061 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC2CC2)CC1 1740705236 DUYGYYDUDFQFNR-GOSISDBHSA-N 428.537 1.012 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1740932765 VJEIIXPYFRJPMH-IBGZPJMESA-N 425.489 1.828 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740966502 ZFWBFJVWFVMCCR-JOCHJYFZSA-N 432.569 1.295 30 10 IDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1741172000 ZTMQUEGUWPBZIX-VQTJNVASSA-N 429.613 1.989 30 10 IDEE C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1741849645 GZLJCPBLCOIGKK-LMMKCTJWSA-N 439.568 1.847 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1743654471 DJUJMONYUVZNLG-GUYCJALGSA-N 425.490 1.341 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC=C 1748773690 BPWJEKDEMWXZPJ-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1748858991 ONMRPZGTABLWDC-SFHVURJKSA-N 431.537 1.822 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](COC)OC)CC1 1748999170 LBVKEAKBSBKCJU-NRFANRHFSA-N 427.549 1.891 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1749554189 QKXDVDGQWOGIJX-CQSZACIVSA-N 444.604 1.479 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](COC)C1 1749660014 MBRVCWSQPIOXHJ-INIZCTEOSA-N 431.493 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749739950 OEDJJDHOIFASMO-WBVHZDCISA-N 438.525 1.804 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1750075072 BBOMKFNUZRAPBN-YJBOKZPZSA-N 448.549 1.155 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC 1760106874 IBACAZVDQKCFKG-LBPRGKRZSA-N 426.340 1.715 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1N1CCCC1 1760163125 MKQDWVGBQALLIE-OAHLLOKOSA-N 434.541 1.745 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCSCC1 1760170923 RXRKKZPNQOKJLL-UHFFFAOYSA-N 433.607 1.356 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760182633 HLLDDSPRSJBIQE-MRXNPFEDSA-N 447.561 1.778 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760185780 DIIGYRZHTSPMOK-IBGZPJMESA-N 449.621 1.942 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1760188471 AFNSVDUVGUMUIQ-LJQANCHMSA-N 436.541 1.642 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189423 UHCHHOCLIJMXMP-UHOSZYNNSA-N 435.594 1.629 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1 1760249307 JFAPQHRZBAFBSR-INIZCTEOSA-N 438.500 1.787 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)CC1 1760254227 RMCGYVLNKYIXRS-OAHLLOKOSA-N 436.969 1.345 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1760263830 QINOOOBTRCAOKX-QGZVFWFLSA-N 446.552 1.179 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1760279169 TUEXTWBRLXXZGY-SFHVURJKSA-N 442.593 1.627 30 10 IDEE 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1.491 30 10 IDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267172300 VXFJZEHLIJXDLP-MIFYACCESA-N 446.357 1.657 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267278685 DYXPVHSGADUZAQ-IRXDYDNUSA-N 447.341 1.793 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](CO)C1 2267287831 YEDYBZFOJDFZCI-GDBMZVCRSA-N 449.357 1.662 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267558689 FNIZQVRJTHCSPN-JOCHJYFZSA-N 449.357 1.806 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)cc2F)OC1(C)C 2282831798 DYXDFWHAQVXTSH-MRXNPFEDSA-N 427.303 1.699 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C[C@@H](O)C1 2322293259 IKLCSTVUACXRJN-CQSZACIVSA-N 437.321 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3B3OC(C)(C)C(C)(C)O3)CCN2C1=O 2334261953 NRLOTPINSVBUEU-JJXSEGSLSA-N 449.357 1.805 30 10 IDEE 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CCC(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 609070722 OFFDZETUXXPUCX-QGZVFWFLSA-N 430.509 1.826 30 10 IDEE COc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)ccc1S(=O)(=O)N(C)C 611137572 KWONWLZEONMOGL-UHFFFAOYSA-N 434.449 1.211 30 10 IDEE C=CCn1c(Cc2noc(-c3ccccc3OCCN(C)C)n2)nnc1N1CCOCC1 685260309 BHSRFJIPTVXKQZ-UHFFFAOYSA-N 439.520 1.882 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1coc(-c2ccc(F)cc2)n1 725755771 LDNFIDAEGQTBNU-UHFFFAOYSA-N 428.445 1.878 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NCC)c1 730144673 PZOXYHPOVUUIJS-QAPCUYQASA-N 443.573 1.192 30 10 IDEE CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732669147 HCVUXJPDPLPAAH-CQSZACIVSA-N 442.335 1.987 30 10 IDEE N#C[C@@H]1CN(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CCN1C1CC1 732696754 OPJNDVBOXYXZNX-HXUWFJFHSA-N 440.548 1.564 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 741452284 CWUXYNSDTSYMPF-WMZOPIPTSA-N 447.605 1.909 30 10 IDEE C[C@H](CC(=O)NCCc1csc(N2CCCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 742678825 WWGFNGOJWPFHFL-CQSZACIVSA-N 447.586 1.919 30 10 IDEE CON(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c1 760387667 FBEPPEWKTCLWGA-UHFFFAOYSA-N 429.520 1.402 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 782532140 YNDQUJPHNQFBPZ-HNNXBMFYSA-N 430.509 1.411 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H](O)Cc2cnn(C)c2)c1 786794979 CLKOLLQBEPNMBP-KYLWWAFNSA-N 433.534 1.555 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 788862460 RVGVKRRXBXTEBT-OALUTQOASA-N 440.548 1.883 30 10 IDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 792659743 QPEJPXMLAKVLSC-IBGZPJMESA-N 442.516 1.801 30 10 IDEE CS(=O)(=O)N1CC[C@@H](COC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 801225300 MKFPQXJMJTYEQJ-CQSZACIVSA-N 448.501 1.847 30 10 IDEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Br)c1 801691370 SAQLOTPRNTYFDK-GFCCVEGCSA-N 448.364 1.213 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1F 807932763 JPSKMEMOWCDKNY-QGZVFWFLSA-N 447.540 1.462 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCOC1 812418941 ZLNLRPKDNADLFK-YESZJQIVSA-N 448.524 1.352 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H]3C[C@H]32)c1 815695370 CUCRMTLXWJRSRJ-CRQVJSNTSA-N 434.518 1.218 30 10 IDEE CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 815895345 OESXMOPYORNGSR-FQEVSTJZSA-N 429.498 1.724 30 10 IDEE CSC[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916774688 BZSKLBWQOCFFMV-BBWFWOEESA-N 449.554 1.411 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)c2ccc3c(c2)OCO3)n[nH]1 1084454709 RSBXDFKOMFIJRB-UHFFFAOYSA-N 443.489 1.760 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1135509540 VRPHJLABEWPRTG-WMZHIEFXSA-N 428.533 1.963 30 10 IDEE Cc1c(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cnn1CCC#N 1136461046 VVQBZCNETZQJBP-MRXNPFEDSA-N 432.525 1.598 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1136861730 JRWKJDADQNRWMH-UHFFFAOYSA-N 425.501 1.533 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)s1 1137316501 QUFAGPWAJIWDDH-UHFFFAOYSA-N 426.541 1.723 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)C1 1137738859 ISYVRACXVZSKHL-SFHVURJKSA-N 447.333 1.653 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(c3cnc(O)nc3N)CC2)CCCN1C(=O)OC(C)(C)C 1138275904 KTRKDOVKTBXBCO-OAQYLSRUSA-N 430.509 1.206 30 10 IDEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1143852948 NPLWHNVCMYMAPG-LBPRGKRZSA-N 439.490 1.522 30 10 IDEE C#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1 1160147878 ZOBBORKWNBQVKG-OAHLLOKOSA-N 448.497 1.627 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 1164674687 YITLPANPYLDQPY-CQSZACIVSA-N 428.270 1.632 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1 1180420491 LJOGCNBTNQIMSU-NDEPHWFRSA-N 442.607 1.578 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286338549 CYCOKIXYAFDOHS-INIZCTEOSA-N 429.546 1.854 30 10 IDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1286381756 TYNMHQBYBNRRCH-IBGZPJMESA-N 436.559 1.198 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1286386833 IDCIRVQFKKYRGS-ZDUSSCGKSA-N 435.460 1.540 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1286395619 SGLMSXIPRAEHFW-IAGOWNOFSA-N 449.602 1.920 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc2nsnc2c1)[C@@H]1CCS(=O)(=O)C1 1286397650 UACNWGUHDWSHCY-OAHLLOKOSA-N 446.558 1.494 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1286415042 GOHRLCTVYJIEBY-QGZVFWFLSA-N 428.537 1.777 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1286429610 CZEDVHRBDZIXSW-MRXNPFEDSA-N 431.587 1.905 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1286464901 GVJWFTMMDLJIQV-QGZVFWFLSA-N 448.568 1.615 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286543589 NHOPJLSIZKXTIR-KRWDZBQOSA-N 439.314 1.340 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 1286700169 KNINOUGIDUKYMU-MRXNPFEDSA-N 441.598 1.971 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 1286791034 RVSRYMBZAGBHDS-WBVHZDCISA-N 444.561 1.731 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1286792047 KZHUFOOXAWJHSU-KRWDZBQOSA-N 426.521 1.430 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1286821026 YQFGKUYFLIIDFH-GOSISDBHSA-N 439.582 1.568 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1286821659 RNGBYXMIJJIDEI-GOSISDBHSA-N 445.545 1.419 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1288524707 GDNPKELZCGMXBH-QAPCUYQASA-N 448.549 1.298 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1291802456 CBNGPUIUASVXKU-NVXWUHKLSA-N 442.520 1.996 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1300271164 HEXJFBPXVRWVNO-YESZJQIVSA-N 430.578 1.797 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1300308094 MAQMXNFKRUXLDR-PKOBYXMFSA-N 438.557 1.931 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1300338644 FCLJGBGWYXMXHP-QGZVFWFLSA-N 449.581 1.310 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300485186 YDKRDRKZJYATOU-PMACEKPBSA-N 439.541 1.868 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2(C)C)CC1 1300683204 NBZDUNFXWRXWNU-HOTGVXAUSA-N 440.639 1.175 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)OC(C)(C)C)CC1 1300708654 XISSPGLWQCSFTE-UHFFFAOYSA-N 442.568 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2csc(C)n2)CC1 1300726473 OKFMKQXKSZZGFW-KRWDZBQOSA-N 428.562 1.755 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300767155 SCDPLFLLWBERHA-HNNXBMFYSA-N 425.605 1.624 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1301327155 NCEYNFYBYHUKLQ-HOCLYGCPSA-N 428.580 1.302 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301521097 ZULAWQZXAQWTOL-XHSDSOJGSA-N 434.541 1.576 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301577403 IZKRPNQDTZAWBT-HXUWFJFHSA-N 433.509 1.544 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301578319 XBLVYNIYNKKTBY-ROUUACIJSA-N 429.546 1.793 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCSCCCO)CCO1 1303004149 NKNIPKBYUCAPAB-KRWDZBQOSA-N 427.534 1.361 30 10 IDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)n1 1304087260 WBACYLAWBRASQB-UHFFFAOYSA-N 425.470 1.730 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CSCCS1 1306192347 ATOQMGNZPGAHKY-HNNXBMFYSA-N 432.623 1.929 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1306242435 BTQQCJUCHFRTJY-QGZVFWFLSA-N 433.472 1.555 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)c(C#N)cn1CCOC 1310522790 AINHIKRNWAIHEW-HNNXBMFYSA-N 434.497 1.450 30 10 IDEE Cn1cc(Br)c(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 1312724912 URNBVDKPZBRYEN-UHFFFAOYSA-N 434.298 1.951 30 10 IDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1315813234 BIKQHEYDYQKCPQ-AEFFLSMTSA-N 427.484 1.842 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1316285486 PYEUSWXSIAIGJQ-YZVOILCLSA-N 443.545 1.657 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCCCCC2)c1 1316528773 HKQIYSKHSTXNPH-LJQANCHMSA-N 435.532 1.921 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(NC(=O)COC)CC1 1358930566 XTZRDJIRFSJUDR-HXUWFJFHSA-N 439.516 1.935 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1358960797 MBRVQLZAOGRBKS-SFHVURJKSA-N 433.582 1.037 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1358978351 KJLXKVATVMENOB-IIBYNOLFSA-N 444.582 1.803 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1359010167 IRRBOKBSVBAHTB-JTSKRJEESA-N 448.568 1.113 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CC(OCC)C2)CC1 1359030831 HLEMTLJPSWYQST-YABDQXBESA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 1359035602 YMZCWOINKDUXPB-FCHUYYIVSA-N 449.603 1.850 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCC2)CC1 1359046572 XIKQQWJPDSMPOT-UHFFFAOYSA-N 435.576 1.716 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(COC)CC1 1359151248 PWDRIDVEETXXCM-HNNXBMFYSA-N 431.946 1.146 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)n2)C1 1359311850 JLFGIJMYZJXVFB-KRWDZBQOSA-N 437.508 1.468 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1448355935 NTPLUVJWAKRHAF-CVDCTZTESA-N 427.501 1.137 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 1450902340 SGWFCSFKHMHLOU-UHFFFAOYSA-N 433.421 1.389 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)CC(C)(C)CC#N)CC2)cc1 1463386326 ASGRYKLSEIFLGU-UHFFFAOYSA-N 429.564 1.661 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1475467407 JFCBUEMPCOWNBA-UHFFFAOYSA-N 442.559 1.437 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 1475667518 MHOYQZKTQHMJBY-KRWDZBQOSA-N 425.576 1.237 30 10 IDEE Cn1nccc1[C@@H](O)C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1478419869 GKBUTEYNBYYNHC-CTNGQTDRSA-N 436.516 1.942 30 10 IDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N(C)C)cc(OC)c1OC 1504072672 BQADTJWQHMKKDF-OAQYLSRUSA-N 446.483 1.891 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1507631111 BIQMDKKDRGVPFH-CVEARBPZSA-N 435.575 1.530 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCc2ccccc21 1507637151 OFNWPGUZCZKSPP-XMMPIXPASA-N 426.480 1.832 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(C)=O 1507680577 JAQHXHOERXDMLM-UHFFFAOYSA-N 432.550 1.181 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1c(C)noc1C 1507710737 UOQFWSUXBYLDFH-UHFFFAOYSA-N 426.477 1.939 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)C2CCC2)CC1 1507727241 OZPUTZNHSVUZJE-UHFFFAOYSA-N 438.580 1.201 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)[C@@H](C)CCC 1507765500 SPNJGSWIVQKPGK-TWOQFEAHSA-N 438.598 1.433 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NCC)CC1 1508072652 DWBDNHJZORAHPD-UHFFFAOYSA-N 432.916 1.147 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cnn(C)c1C 1508144703 SCZFFRLFXPDQNQ-UHFFFAOYSA-N 429.550 1.543 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1508160450 GKUXAPXSSPXNHQ-BRWVUGGUSA-N 425.624 1.772 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509633071 CGPVDKPRERWVCH-KIJUOZEOSA-N 427.509 1.179 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1509957177 VOCAWDJDGVCAGX-CVEARBPZSA-N 442.611 1.289 30 10 IDEE CC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1514053020 ALTRJDHQZANKNW-IERDGZPVSA-N 429.546 1.993 30 10 IDEE CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1515449825 ZCLVHGMDBRMYBW-DAYGRLMNSA-N 449.533 1.528 30 10 IDEE COCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1519035317 KRALEUSVZJNZJV-MSOLQXFVSA-N 440.552 1.975 30 10 IDEE COCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1519179409 CBECERDSKVBHDC-UHFFFAOYSA-N 437.548 1.631 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1519396758 AUGXKYFNZPZWBD-LJQANCHMSA-N 447.561 1.883 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2snc(C)c2C#N)cc1 1523955979 BQXVOQKJRLKFLQ-UHFFFAOYSA-N 438.531 1.859 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1536859646 JOCZRJDHLAEWHH-SPYBWZPUSA-N 429.539 1.426 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)c1 1539043636 SKJFRGMAABKWKQ-INIZCTEOSA-N 446.458 1.567 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1539213020 ZTSGXIQXMFBVAP-HTAPYJJXSA-N 441.557 1.359 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1OC 1539333951 QIZOHRRXVSZGNV-ZWKOTPCHSA-N 441.557 1.784 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCNC(=O)C1CCC1 1539628718 SQWCUUWNLXGULW-HBFSDRIKSA-N 444.580 1.953 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540865903 VZZUSVFABRBLAD-UHFFFAOYSA-N 433.516 1.568 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1540892572 ODTPDMDNPMUBDW-OPAMFIHVSA-N 433.503 1.995 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@]2(CCOC2)C1 1540899799 AHGPMJZXASEBAV-OAQYLSRUSA-N 432.546 1.850 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1540907912 MHYLRIWTYUNHIH-HNNXBMFYSA-N 433.538 1.703 30 10 IDEE C[C@@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)N(C)C 1541869299 ORUZNWAUOASPHW-MWDXBVQZSA-N 433.557 1.728 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1545705506 BKKGCZRPFBBOAJ-RDJZCZTQSA-N 439.520 1.345 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554248045 OZWTVZVFASRRBQ-FMQUCBEESA-N 444.536 1.592 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1569560189 HEKWYBQQUMRCAD-OAHLLOKOSA-N 435.889 1.811 30 10 IDEE N#C[C@]1(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCOC1 1583898389 MGWWODVOLRVTTG-HXUWFJFHSA-N 435.502 1.001 30 10 IDEE CNC(=O)c1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1584785471 DNMKQLNMMBWCGX-UHFFFAOYSA-N 440.525 1.982 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1587392647 QJOAJZFODBGLBQ-HOTGVXAUSA-N 430.530 1.745 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1587856854 SUDGOGJEZFJECB-NRFANRHFSA-N 442.608 1.966 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1588006404 LTVLGIFOHXDKKN-LJQANCHMSA-N 436.560 1.739 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1588035783 XTMUSJRUXNRMBN-YESZJQIVSA-N 442.607 1.382 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1588050840 VURATXHHWAWUSR-INIZCTEOSA-N 446.483 1.632 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1588065195 VUQRSSSXVZVMOK-GOSISDBHSA-N 442.545 1.180 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[S@@](=O)C(C)(C)C)CC1 1588913332 HJSPJUKGNXMWJH-SSEXGKCCSA-N 430.578 1.786 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589068675 CMYNHCRFJNEBSU-MSOLQXFVSA-N 433.578 1.366 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1589070672 WAMFBJIVMDTTGM-DLBZAZTESA-N 441.623 1.256 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1593763434 KIXZMWSNBHGKOA-UHFFFAOYSA-N 447.565 1.324 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1595250586 HZRMRCBEUUIFFO-UHFFFAOYSA-N 443.533 1.599 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595760952 VIJQJLZHWWKNTR-MSOLQXFVSA-N 425.599 1.693 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1596783532 SCOAPALTNNPBLM-QGZVFWFLSA-N 426.525 1.634 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1597161859 SOQFMTPCOYORRC-BQLSZWSRSA-N 444.536 1.486 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 1612909148 HRUFUHFWVFUKOS-HZPDHXFCSA-N 445.545 1.370 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613337154 BJQDWPYJRRAERT-FKQWUUPDSA-N 427.509 1.129 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CCCC2CCN(C(=O)OC(C)(C)C)CC2)c1=O 1613380367 JLDUEPUZYSUWJE-UHFFFAOYSA-N 434.537 1.971 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](COC)C1 1617368934 DXBBDPDLRKWTRE-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1 1619239867 ODVYQJQCGWKIRU-FQEVSTJZSA-N 440.548 1.963 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)C1 1620168470 HOXGTZQHKSLGCN-QGZVFWFLSA-N 429.550 1.285 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](c3nnc(N)o3)C2)CC1 1620460360 PYCMDGJEMDGOSH-AEFFLSMTSA-N 427.484 1.379 30 10 IDEE N#CCc1ccc(OC[C@@H](O)CN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1620532915 YFSGEDQIVHASSF-DHLKQENFSA-N 435.524 1.996 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)Cc2sc(C)nc2-c2ccc(OC)cc2)CC1 1626966830 SCUKYPUOMUSEAO-UHFFFAOYSA-N 426.542 1.563 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc1 1627753176 XLPZMJQCFCWEKH-QRVBRYPASA-N 430.530 1.722 30 10 IDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)CCSCC1 1630054537 SNHXZTVCIOESJR-UHFFFAOYSA-N 435.531 1.138 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)c1 1634021319 KQHNYOZDGRXRMO-NRFANRHFSA-N 440.569 1.144 30 10 IDEE C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1635378040 BOGOVPXOZALHGE-LBPRGKRZSA-N 432.481 1.956 30 10 IDEE Cc1ccc(I)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637514364 SLLUGIFXGFNQJJ-UHFFFAOYSA-N 436.209 1.431 30 10 IDEE CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(CC(F)(F)F)C1 1642468014 VCOOZJIBIWEKSC-KBPBESRZSA-N 446.495 1.989 30 10 IDEE CC1(C)CC[C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)N(C(=O)OC(C)(C)C)C1 1642728237 MTBDMXGVZDHONQ-HNNXBMFYSA-N 433.509 1.753 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)C2)c(=O)nc1O 1648028850 PTBHUDHTMDTLGF-UHFFFAOYSA-N 437.334 1.628 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CC1 1650846348 SSLRKTOOBFXPGG-NTCAYCPXSA-N 435.855 1.898 30 10 IDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1651764132 PXKWSZUBXMQGAJ-UHFFFAOYSA-N 435.329 1.777 30 10 IDEE C#CCN(CC(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)OC)C(=O)OC(C)(C)C 1652809525 YQRLEBIXBVVTMJ-QFIPXVFZSA-N 428.489 1.955 30 10 IDEE COc1ccccc1N1C[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1=O 1654811839 OWHLFHWVRCCCKZ-OAHLLOKOSA-N 437.452 1.952 30 10 IDEE Cc1ccc(-n2nc(C)c(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2C)cc1 1655770678 MDVWWEGJKIXMOK-LAUBAEHRSA-N 427.530 1.606 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 1666939698 BTJNPJRENWHYNF-UHFFFAOYSA-N 437.522 1.651 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2)C(=O)OC 1669657022 BLDUKHFTSOBKDP-LBPRGKRZSA-N 429.292 1.567 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](O)COc1ccc(I)cc1 1682162833 GADWWSYBVMINCL-NOLJZWGESA-N 446.285 1.921 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1689831096 FQLXFWARMRAGLL-VGOFRKELSA-N 436.520 1.801 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1689966150 LUGFHMGLORTMJE-LJQANCHMSA-N 431.562 1.540 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1689991072 VGDWRLXOLTWFTL-ROUUACIJSA-N 432.550 1.086 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689992597 MRIGBFVKTSWJBR-QGZVFWFLSA-N 442.570 1.590 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1690206471 SBICVGUFXUOHCV-DYESRHJHSA-N 433.578 1.575 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1690597244 NIXQEJVEEMNPMS-ZWKOTPCHSA-N 446.577 1.759 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690668775 IPXGJYFELLYSMJ-QHCPKHFHSA-N 449.515 1.865 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC)[C@@H](C)C1 1690669949 SYPLSFQRAWRTOG-HNNXBMFYSA-N 436.520 1.427 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1691325041 AAIGKEGPFRQFJI-INZIPBBXSA-N 441.561 1.793 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1695793692 CXMVHYNOIIWTMN-KRWDZBQOSA-N 440.533 1.490 30 10 IDEE CN1C(=O)C[C@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)CC[C@H]21 1696848314 QRXASVUQQHCSLP-VVWDJWGFSA-N 441.536 1.159 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C[C@H]1O 1697065998 RPXDAQJJGVHQMY-WOJBJXKFSA-N 436.516 1.439 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnn1 1705490866 SHOXDYOEMLCAPK-INIZCTEOSA-N 431.504 1.815 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1C 1705495881 XCSBATNOPBISKK-UYAOXDASSA-N 445.589 1.928 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705517453 VZJBLZYDNPHPJA-UXHICEINSA-N 449.621 1.532 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCO[C@H]1CCOC1 1705546090 AAXLLJHMYXJSKD-KRWDZBQOSA-N 446.577 1.812 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N1CCCC1 1705627579 KUNALRHHJUKZTH-ZWKOTPCHSA-N 426.521 1.745 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1=CCCOC1 1705628576 KUPBOJOQIXEWQL-UHFFFAOYSA-N 437.548 1.885 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1705635052 PSGAICSTEBTAFA-PMOQBDJRSA-N 433.597 1.871 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1705700867 ZNDUAJZDGZRFIG-NJAFHUGGSA-N 439.582 1.581 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1705767742 GDDHOXAAKZJWKE-SFHVURJKSA-N 426.496 1.884 30 10 IDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N2CCSCC2)CC1 1705770612 NTRKNBFSDDIVRU-UHFFFAOYSA-N 448.618 1.799 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNS(C)(=O)=O)C1 1705920841 FXBHWBFWZMVDCT-HNNXBMFYSA-N 440.957 1.714 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1706069087 VYKHFNBYCWHOTQ-RDJZCZTQSA-N 433.534 1.750 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1707951283 INYSWDQAEYIPQH-MEUCICPISA-N 435.488 1.138 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1711317678 OYUCQIFQCQENNF-AUSIDOKSSA-N 438.532 1.975 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712584063 OPFOGXMPUPHFSD-OZNQOIHVSA-N 446.552 1.734 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1722276216 GIGHYKUVJQQJDR-QRWLVFNGSA-N 449.602 1.521 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1722282825 FAFXYRYYGJHGJS-WBVHZDCISA-N 437.504 1.593 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722312187 XXQOFAOESUPPRT-LJQANCHMSA-N 433.520 1.829 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccccc2)CCC1 1722353440 VXWRPDZKDUACEN-IBGZPJMESA-N 443.573 1.802 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722360333 SXMKGXQFPPBYIU-MRXNPFEDSA-N 433.534 1.342 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722371114 UBZKWUSFDGDKIW-LJQANCHMSA-N 437.610 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1722391472 NMOLSEXFLGYKOE-URXFXBBRSA-N 443.592 1.750 30 10 IDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cn2ccsc2n1 1722421515 LTTUKIOLLBBPBN-HXUWFJFHSA-N 430.534 1.774 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1722680796 AGDZCHVPXUSXRF-SJORKVTESA-N 427.571 1.583 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CCO1 1722841739 FWFVROVNUMQKEU-HXUWFJFHSA-N 446.515 1.499 30 10 IDEE CO[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C 1729881482 ZWLIVMGJLBFDHZ-IBGZPJMESA-N 433.520 1.999 30 10 IDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740568933 VFGICPMSLYVAQH-UHFFFAOYSA-N 447.543 1.793 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740571476 OXFGAAUJSBLMOQ-KRWDZBQOSA-N 439.520 1.728 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740577859 RDOGOLSCKIYYDT-JKSUJKDBSA-N 426.546 1.788 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1740688036 LMOVAZMQLRKHSR-QFIPXVFZSA-N 425.489 1.620 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOCC)CC2)CC1 1740705252 DZRFSXXUWSXQAH-SFHVURJKSA-N 442.564 1.402 30 10 IDEE C#CCSCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723611 TVRXLRDKAKYFTF-QFBILLFUSA-N 442.607 1.308 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1740962737 MXBXKYZRHYRFPT-MRXNPFEDSA-N 435.532 1.744 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CC(=O)NC)CC1 1740963998 DSIPUUHFZUTXJR-UHFFFAOYSA-N 440.548 1.820 30 10 IDEE C=CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)CC1 1741003001 NRBRILFMZDZHGM-UHFFFAOYSA-N 447.634 1.940 30 10 IDEE C[C@]1(N2CCOCC2)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1742015112 DLLPBLGFNOQQQN-QHCPKHFHSA-N 440.548 1.517 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1745894034 FWQHDUARPHIRQF-GOSISDBHSA-N 448.531 1.934 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CN(C(=O)OC(C)(C)C)C2)cn1 1748012876 DMVNQMOJIKPHIR-MRXNPFEDSA-N 428.497 1.274 30 10 IDEE CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1748393069 DHNVHPYACQWXOT-GOSISDBHSA-N 437.548 1.629 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1748665954 YAROEBXKPSSPLH-MRXNPFEDSA-N 435.532 1.905 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1748804218 FIDCXTKPTOSHSN-WIYYLYMNSA-N 436.578 1.913 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1748809183 KIFOWUIQKJCWDC-IBGZPJMESA-N 435.513 1.225 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C(C)C)CC1 1749304183 WSWHFLZJBNIVQC-APWZRJJASA-N 427.571 1.174 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C 1749457995 USQJDYFYCAEVPU-IKGGRYGDSA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCC2)CC1 1749660954 WWPAZDYVQLGFCK-UHFFFAOYSA-N 440.548 1.939 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(CC)o1 1749669318 JAAQUSJEVBKWRN-NVXWUHKLSA-N 447.561 1.979 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COC)C1 1749687224 OKBMYKNBGIWSNL-GOSISDBHSA-N 429.521 1.881 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1nncn1C 1749736115 DLWQCTRSICDCBY-QGZVFWFLSA-N 442.549 1.335 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)C(=O)OC(C)(C)C 1760098074 NYJOPHJIJBNUCC-LSDHHAIUSA-N 442.586 1.603 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760129321 JJPSESDIZMZEKR-KRWDZBQOSA-N 440.529 1.356 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1760179706 XMVPLWNMZQVYLN-INIZCTEOSA-N 437.541 1.423 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnnn2C)CC1 1760254821 LYODMWHKPBYYDD-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCOCC2)CC1 1760263006 KCECLKABEWOZGM-UHFFFAOYSA-N 429.594 1.111 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCc2cccs2)CC1 1760522476 UORSZKBXYKIBBL-KRWDZBQOSA-N 430.578 1.510 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1760524513 ZRBBUAQKDXRLMF-MSOLQXFVSA-N 432.569 1.607 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760526221 IEVHTXWVWDKOFO-WZONZLPQSA-N 441.532 1.852 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(F)(F)F 1760548903 SALIOMDSYCDMCB-UHFFFAOYSA-N 432.428 1.525 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1766682769 UKFKQXBNORGBDT-UHFFFAOYSA-N 428.518 1.062 30 10 IDEE Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1 1767535232 HIQHYUVFOJXJAP-UHFFFAOYSA-N 436.520 1.894 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1767606895 BHAQGKRXWGKBDY-JOCHJYFZSA-N 437.504 1.621 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1767959306 FSLBKLIFEIVGRN-ZWKOTPCHSA-N 430.509 1.518 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(Cc3cccnc3)n2CCOCCCO)CC1 1770741021 SCXAAFBUJPTMTL-UHFFFAOYSA-N 448.531 1.256 30 10 IDEE CC(=O)c1c(C)nn(CC(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1C 1851231300 JLPYSGDTYIJDIS-OAQYLSRUSA-N 440.500 1.897 30 10 IDEE CN1C(=O)C[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)[C@@H]1c1cccs1 1851895306 UJRINCYIHFUKPJ-YLJYHZDGSA-N 439.541 1.900 30 10 IDEE N#Cc1ccc(OC[C@H](CS(=O)(=O)c2ccccc2)OCCN2CCOCC2=O)cc1 1852537630 SCLXLBCXBKCZLC-HXUWFJFHSA-N 444.509 1.655 30 10 IDEE CO[C@H](C)C(=NOCC[C@@H]1CCCCN1C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853518756 DUZFUYRBZZRQKS-ZBFHGGJFSA-N 438.550 1.699 30 10 IDEE COc1ccc2nc(N3CC(C(=O)N4C[C@@H](CN(C)CCC#N)CC4=O)C3)sc2c1 1855725132 SAUJPRLXNLPYND-CQSZACIVSA-N 427.530 1.962 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12)[C@@H]1CCS(=O)(=O)C1 1858242089 PKSKAZRXJOCKTG-MRXNPFEDSA-N 437.481 1.717 30 10 IDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1 1862605800 CFLYQYDQGXHXHL-FQEVSTJZSA-N 438.436 1.878 30 10 IDEE CN(C)CCNC(=O)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932297 ZLIRNCOHTLGGAZ-GOSISDBHSA-N 446.598 1.705 30 10 IDEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870110655 BSGUUQOALHFPTF-UHFFFAOYSA-N 449.358 1.480 30 10 IDEE C=CCOc1cn(C[C@@H](C)O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870385773 LVAVARMHHIAMQE-GOSISDBHSA-N 441.528 1.840 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCOc3ccc(OC)cc3)C2)CC1 1872946792 CNENWSAUFXKGOH-GOSISDBHSA-N 429.517 1.463 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2063393109 MBRJHZPDFNAOEM-FQEVSTJZSA-N 434.302 1.086 30 10 IDEE C[C@H]1CC(=NO)[C@H](C)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108229501 UJOFLURNLGZBQP-QHRIQVFBSA-N 425.482 1.901 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2247570864 DEOMPXGNPPMBIY-DKXYKWQCSA-N 437.537 1.781 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255654480 XOBCCNUEFQEFBG-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE Cn1ncc(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2255824116 BODOHQHUTFGWTF-ZIAGYGMSSA-N 432.330 1.314 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830459 GNRPLJXOHCISHM-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2259134008 XBJUNSOKXXMOEC-UHFFFAOYSA-N 437.321 1.938 30 10 IDEE C[S@](=O)CCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267708882 RZHFEPFCRVALBN-DEOSSOPVSA-N 427.806 1.748 30 10 IDEE Cc1ccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1C#N 2286029270 ZDJLSKBCPOVWTE-GOSISDBHSA-N 431.470 1.666 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303110100 XKNJJGSDRIKJSM-RNODOKPDSA-N 425.335 1.840 30 10 IDEE CC(C)[C@@H]1C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OCc1ccccc1 2370731325 IAPMXJNVVQIADV-JQVVWYNYSA-N 434.558 1.693 30 10 IDEE C#CCN1C(=O)[C@]2(C(C(=O)OCC)=C1CC(=O)OCC)c1ccccc1-c1oc(N)nc12 20167497 XHXMTCOBVILSKN-QHCPKHFHSA-N 435.436 1.769 30 10 IDEE CC(C)(C)NC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@H]2CCCO2)CC1 46022192 OCPOOFRKCYPAGZ-LJQANCHMSA-N 445.564 1.673 30 10 IDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 254750651 OJIJMSMYZDCBJK-UKRRQHHQSA-N 442.515 1.560 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1 427002506 XEVLAQWTPKORDB-UHFFFAOYSA-N 447.586 1.905 30 10 IDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccc(C#N)cc3C)CC2)cc1 439002081 NJJQCLRMKGNCEN-UHFFFAOYSA-N 426.542 1.911 30 10 IDEE CSC[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 461299335 VXWNBWJBCODKPH-BBWFWOEESA-N 438.513 1.984 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)CC2)cc1 474207571 AOWBGPNUXPZVKH-UHFFFAOYSA-N 428.470 1.277 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 481589734 VOOWQXSDVTWHKQ-IBGZPJMESA-N 431.489 1.821 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)NC4CCCCC4)CC3)cc2C1=O 487232213 OTIXXIHQVOIPLB-UHFFFAOYSA-N 438.528 1.675 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 508797264 YVTNBJYOXJCYSC-OTWHNJEPSA-N 432.569 1.369 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(NS(=O)(=O)c2cccs2)CC1 508826419 ISZMHWJRUGDBDO-OAHLLOKOSA-N 439.563 1.561 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 509010713 KILGCWXMEAZIEA-WDSOQIARSA-N 447.561 1.763 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 514475206 SPZYQYSCYIKVBB-GOSISDBHSA-N 425.554 1.679 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H]3CCOC3)CC2)n1 566334317 PTIXMEKSIRCLTH-QGZVFWFLSA-N 436.520 1.144 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC 583804893 FSKWSEUKXOVAGG-LPHOPBHVSA-N 449.577 1.873 30 10 IDEE CO[C@@H](C)c1noc(CN2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586860310 AXJQZFRAFXGKQW-AWEZNQCLSA-N 444.467 1.138 30 10 IDEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)c(OC)c1 588137642 SSBOJBWYAQOKGU-LJQANCHMSA-N 447.488 1.935 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 603799707 RXDDTYULFHXGFZ-HNNXBMFYSA-N 433.480 1.395 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@H]1CCCO1 610929049 SWCYUQWPBDIWJK-CYBMUJFWSA-N 437.974 1.831 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)cc2C1=O 643628863 YULHPTJYKHIANH-UHFFFAOYSA-N 431.456 1.108 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(OC)ccc1OC 727418695 VTJKBDLVQJQTAL-UHFFFAOYSA-N 437.477 1.314 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732706044 CKNYFAHFAIGLOP-YRNRMSPPSA-N 439.516 1.073 30 10 IDEE COc1cccc(C[C@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)n2nnnc2C)c1 734292031 AESWVNYDZIEKIJ-GOSISDBHSA-N 440.485 1.459 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1Cc1ccccc1 735068430 AWYVQHUIVJVJDJ-UHFFFAOYSA-N 435.553 1.594 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCO[C@H](C(=O)OCC)C3)nc12 741241588 KSGWQSLPJSGVOX-INIZCTEOSA-N 429.502 1.588 30 10 IDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 746314247 ASWIWCWCSYVNSG-CMTMBAJVSA-N 430.427 1.552 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)/C=C/c2cccc(Br)c2)CC1 747277808 KRZZZIZJOPEDNW-NTUHNPAUSA-N 440.363 1.507 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 750431857 ZYNQJMPTQMWBTF-UHFFFAOYSA-N 438.459 1.566 30 10 IDEE Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)nc12 750721124 APVSMMVCJWZHQJ-QFBILLFUSA-N 428.452 1.918 30 10 IDEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=Cc1cn2cccc(F)c2n1 755471527 GDUNPCZZWIDRMG-UHFFFAOYSA-N 448.436 1.849 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(Br)c(F)c2)c1=O 758077851 UFJVBVVXZSSRST-UHFFFAOYSA-N 448.317 1.474 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)n(C)c1 760771621 FDEGJMASXSHUTP-UHFFFAOYSA-N 430.534 1.285 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@]1(C(=O)O)CCSC1 776665531 SRYXNSWPUPCJGG-SFHVURJKSA-N 425.532 1.362 30 10 IDEE Cn1cc(-c2csc(=Nc3ccccc3C#N)n2CC2CN(S(C)(=O)=O)C2)cn1 777421272 RHBCRWANUMOOLW-UHFFFAOYSA-N 428.543 1.946 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 782375735 SSZFCNMLCBFEOR-SFHVURJKSA-N 446.554 1.567 30 10 IDEE C#CCN(C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 786969364 UJGHHVQCQDNEIP-AEFFLSMTSA-N 439.484 1.288 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1 788555486 BFKCVMYUFGAASY-UHFFFAOYSA-N 433.534 1.884 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 790830400 NZYHGSXLQCANKW-UHFFFAOYSA-N 426.514 1.669 30 10 IDEE COc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 790867594 GBRFCCMBDSPUBU-UHFFFAOYSA-N 441.387 1.821 30 10 IDEE CCOC(=O)c1c(NC(=O)COC(=O)c2ccnc(C#N)c2)sc(C(=O)N(C)C)c1C 795972750 URAMGKVNTTWLRK-UHFFFAOYSA-N 444.469 1.997 30 10 IDEE C[C@@]1(C(=O)OCC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCC(=O)NC1 798777109 DVNNJROLECJTAE-IQMFZBJNSA-N 442.516 1.816 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)C1 806782346 XWOHBFQZOYMNDM-WLBHNISZSA-N 447.536 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C(F)F)C1 813806246 MSYAVAJVZKEKGE-UWENYHRYSA-N 428.436 1.616 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C(=O)OC)cc3)cc2C1=O 920333354 HVNMKAVCRPBFKL-UHFFFAOYSA-N 442.449 1.515 30 10 IDEE C#CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C)[C@@H]1CCS(=O)(=O)C1 1117657605 ASGQOGGBRAXVFX-MRXNPFEDSA-N 437.566 1.556 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 1160060656 ULMDUUJQCFEPQJ-OAHLLOKOSA-N 432.527 1.701 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)c1 1162373770 RMUIXCWAGYJWLW-CYBMUJFWSA-N 433.511 1.585 30 10 IDEE COCCn1cc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CC2=O)cn1 1171843150 AAPQXLGQUKLLCK-KRWDZBQOSA-N 440.479 1.242 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 1171843621 UAAGMRGQTBSVKB-UHFFFAOYSA-N 427.480 1.743 30 10 IDEE N#CCC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 1194457499 NGVRVULOBLSWFC-UHFFFAOYSA-N 447.561 1.248 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)Cl)c1 1286311502 MXVDAYOKSHTTNN-MRXNPFEDSA-N 447.948 1.989 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286388133 YOKYXEJHOPPXOU-INIZCTEOSA-N 444.561 1.272 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCC(O)CC2)CC1 1286474214 FHDMGGKJMOJSEZ-UHFFFAOYSA-N 438.576 1.556 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1286722756 SDDPURVDLWIQPM-KRWDZBQOSA-N 437.548 1.783 30 10 IDEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O)C1CC1 1286734555 RUKZUWFDQIJBDX-UHFFFAOYSA-N 429.344 1.740 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1286787334 RUQCBSBVZYSRNM-INIZCTEOSA-N 428.541 1.114 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](COC)C1 1286821621 QRWXTINHQWVOTN-GOSISDBHSA-N 438.525 1.460 30 10 IDEE COC(=O)[C@@H](CC(F)(F)F)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1296114247 WBEDIJKDPHOVMK-CYBMUJFWSA-N 449.451 1.896 30 10 IDEE N#CCc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1299897383 FCXNTLFERTYEBD-HKUYNNGSSA-N 433.917 1.846 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1300734189 SXMICDFCQXUQNU-UHFFFAOYSA-N 427.534 1.350 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300863205 KTFMRNBCVQFLGZ-BBWFWOEESA-N 439.582 1.411 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)CC1 1300876009 RAKKKBPNDQLWON-NJAFHUGGSA-N 441.598 1.732 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1301425904 ZTDPYWFQCKEUAM-OAHLLOKOSA-N 448.611 1.032 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1301596558 RVXJRQDRQHRVMK-MRXNPFEDSA-N 437.566 1.179 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)CCOC1 1303502857 AGQCKUOWMBHJPH-DENIHFKCSA-N 448.568 1.160 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3CCN(C)C(C)C)CC2)c1C#N 1304730349 DCFVGQALRDPOAU-UHFFFAOYSA-N 448.579 1.921 30 10 IDEE COC(=O)[C@@]1(N2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)CCOC1 1307946336 WCZLRMWXNJNFBX-VGOFRKELSA-N 446.573 1.827 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1314520184 AMKBPAXNQQAIAX-FOIQADDNSA-N 433.534 1.228 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1316264187 KWNLFASMYPOMFS-FQEVSTJZSA-N 437.504 1.791 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1316341641 PTKGTLWNJZBMNR-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc1 1355493264 MXEYWVQABSRHTM-SFHVURJKSA-N 442.497 1.572 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1358898851 BPHNSRDLFAYWOF-MRXNPFEDSA-N 427.505 1.606 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1358994435 NGJKSDVSZMBETI-ICSRJNTNSA-N 429.590 1.660 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1359008669 XCOLLKKGIHZXTQ-IBGZPJMESA-N 436.564 1.274 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1359024617 QTVADVATIQBNNO-MRXNPFEDSA-N 432.502 1.043 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2CCS(=O)(=O)CC2)CC1 1359033838 SMPOACOPWFVQCM-UHFFFAOYSA-N 427.574 1.834 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1359062799 TZDUDXLOHKUMTK-DYESRHJHSA-N 448.593 1.241 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1359064010 JFEMUTZMCKRLEH-KYNGSXCRSA-N 437.591 1.850 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359089956 SCBMWXMDVMDIDT-KSZLIROESA-N 430.553 1.458 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359297960 IEIGKLOUDJRIEZ-UHFFFAOYSA-N 430.472 1.928 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C 1359326703 IFAUXEHTDRSVJL-HNNXBMFYSA-N 448.549 1.530 30 10 IDEE C[C@H](CC(=O)NC[C@H]1c2ccccc2C(=O)N1C)/N=C1/NS(=O)(=O)c2ccccc21 1454716708 OSBTYNLZNRDJDK-DYVFJYSZSA-N 426.498 1.447 30 10 IDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCS(=O)(=O)CC1 1455476352 KKURHNTUPLZGQS-UHFFFAOYSA-N 448.545 1.139 30 10 IDEE Cc1c(NC(=O)CSCC(=O)N2CCC[C@@H](C#N)C2)c(=O)n(-c2ccccc2)n1C 1455566202 CLWIFDGQNCGQFZ-INIZCTEOSA-N 427.530 1.918 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)C2CC2)cc1 1464340157 JVJPFYMJHYNVQA-JZJYNLBNSA-N 427.548 1.795 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1 1466319946 LQCWOTGKSMEPJQ-UHFFFAOYSA-N 427.527 1.181 30 10 IDEE C[C@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1CCO 1468119687 UOBPELKIVCVRBW-IYBDPMFKSA-N 426.477 1.899 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)CC1 1477615261 RPSHYMROXAORHD-CQSZACIVSA-N 448.467 1.268 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 1478284830 PMWVOUAIFRRBIN-HZPDHXFCSA-N 447.479 1.833 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1507539666 XLSLBRAWMGOGRZ-CVEARBPZSA-N 425.624 1.466 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1507632725 PIJAJZHPJMDAOX-IAGOWNOFSA-N 440.591 1.163 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507635803 VRSCCXVSGPDZFG-RTBURBONSA-N 445.589 1.952 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1507708740 LUTODWZGHMQCHB-LJQANCHMSA-N 438.937 1.234 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)nn(C)c2C)CC1 1507720582 UVYARRSUIZWQFN-QHCPKHFHSA-N 441.580 1.473 30 10 IDEE C#CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507759023 XVLCZAPHPWFDTC-OAQYLSRUSA-N 435.594 1.648 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1507801729 YFGYGNFBCHFRIR-BEFAXECRSA-N 429.525 1.131 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C(C)=O)CC2)C1 1508116803 JGQDGRLGASVXGW-FQEVSTJZSA-N 439.564 1.594 30 10 IDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1519522013 UFWFBTHVYOWGLV-UHFFFAOYSA-N 445.545 1.780 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](CC#N)C(F)(F)F)o1 1538122844 JPYAKXIDPFQFDJ-CMPLNLGQSA-N 437.396 1.570 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1539045380 TUYKLULAVKZYDS-UHFFFAOYSA-N 430.534 1.742 30 10 IDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCC[C@@H]1CO 1539175257 UHRPVYBYNLVELZ-QGZVFWFLSA-N 435.532 1.900 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1539200251 DGFDYAIJMPHVAW-MUKKYZEKSA-N 426.521 1.793 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1539361868 HPARIIBVIIZGSW-SJORKVTESA-N 428.562 1.824 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1539427611 DXQVHYXVFAJBQD-KDURUIRLSA-N 445.612 1.059 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)NC(C)C)CC1 1539441529 SEANNAXIJWQLHP-UHFFFAOYSA-N 430.578 1.337 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1539446485 DJAIEVDCHKKFOX-LEWJYISDSA-N 430.597 1.428 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1540903379 CLYYUXLZUJYGCN-HNNXBMFYSA-N 442.545 1.263 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1541116705 UAELMAUFSNLIQY-ZACQAIPSSA-N 425.555 1.362 30 10 IDEE CCSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1552622710 VMWLZIKSQSUOIF-HUUCEWRRSA-N 430.600 1.493 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(C4CCC4)C3=O)CC2)cc1 1587483161 ULRIMMQJWGRQDK-LJQANCHMSA-N 430.530 1.229 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1588028945 AWJWWHQOMZCGGN-IBGZPJMESA-N 443.573 1.676 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588045819 RERGHQLLEDOKKZ-GCJKJVERSA-N 444.557 1.686 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588054191 LIUCTXDFJBMQIH-MSOLQXFVSA-N 436.578 1.963 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccccc2)CC1 1588751452 KWNVOSCNFZPAAN-WMZHIEFXSA-N 427.549 1.665 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1589481908 DNZKXPARBOQWJN-AEFFLSMTSA-N 430.553 1.310 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)noc1C 1589663417 NDIPZEPWJFOZSA-QGZVFWFLSA-N 438.554 1.667 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1593747432 WDIZQEFBNDBLKG-HOTGVXAUSA-N 426.539 1.162 30 10 IDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595335097 MYZJEKSTZJESRP-INIZCTEOSA-N 425.449 1.806 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1595461444 VRPXSWNHUQCIRG-YJBOKZPZSA-N 425.489 1.921 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(I)ccc1N1CCOCC1 1595818867 ZIDDIMQUKSVQIH-CQSZACIVSA-N 428.270 1.896 30 10 IDEE C[C@H]1c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2CCN1C(=O)OC(C)(C)C 1597371292 BFVQIDXNMKAEAX-GXZWQRSESA-N 448.545 1.810 30 10 IDEE O=C(c1cn(CCO)nc1C1CCOCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1611650919 QDJCLTMJWHBAHW-UHFFFAOYSA-N 442.472 1.287 30 10 IDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC(C)CC1 1619049061 DSYBICMDPSDLPN-BHEGOAEISA-N 440.570 1.212 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@H]2CCOC2)C1 1620346037 QDNLUFXFAVUBEB-MGPUTAFESA-N 429.456 1.563 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3cccc(C#N)c3)CS(=O)(=O)[C@H]2C1 1625327165 GKFRKJVFCGEATA-KURKYZTESA-N 433.530 1.845 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C2(C#N)CCSCC2)C1 1625808146 SYENKSJDJCOVPD-CQSZACIVSA-N 431.580 1.564 30 10 IDEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(C)C 1626528338 HXNSYKACQWAHIV-UHFFFAOYSA-N 432.546 1.397 30 10 IDEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1627264057 AJIGSNVWJQKFRM-IGGDJGDASA-N 444.513 1.243 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 1627917793 DPTNVAVHRQIRTH-UHFFFAOYSA-N 435.399 1.654 30 10 IDEE C[C@H](CC(=O)N1CCC(N2CCOC[C@H]2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1628856913 HZOUNYAJFCELTP-HZPDHXFCSA-N 434.562 1.215 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2cccnc2N2CCC[C@H]2C1 1632566261 VFIAHPGGMKIHFO-QAPCUYQASA-N 425.514 1.631 30 10 IDEE CC(C)(C)OC(=O)NCC1(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC(O)C1 1632768302 DOFYLNZVZWBJOH-OTQYULQBSA-N 442.516 1.836 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)CC1 1636475530 MLLPSNHVZJJMSK-UHFFFAOYSA-N 433.574 1.755 30 10 IDEE C=CCn1cc(CNC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)nn1 1638491820 QGAJAYZDZYEJKT-UHFFFAOYSA-N 431.440 1.858 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(S(C)(=O)=O)CCC3)C2)C1 1640045398 JOKVMOHJVHJMIY-XAUUPUKJSA-N 425.551 1.857 30 10 IDEE CCOC(=O)CC(=O)CSCC(=O)N1CCN([C@@H](C#N)c2ccc(OC)cc2)CC1 1640957412 RZPWQXJSJATRPL-IBGZPJMESA-N 433.530 1.660 30 10 IDEE O=C(CNS(=O)(=O)c1cccc(F)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1641854259 BYNPZCAXBBHQEA-UHFFFAOYSA-N 435.433 1.008 30 10 IDEE Cn1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc2cc(Br)cnc21 1648790417 IDDIUVKSNUXPSV-UHFFFAOYSA-N 429.234 1.167 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 1649077383 QGFFVMKWTPMZAB-AWEZNQCLSA-N 448.545 1.631 30 10 IDEE CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1649603027 DOXOIUKAXQLJSS-INIZCTEOSA-N 437.552 1.983 30 10 IDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1-c1ccc2c(c1)CCC2 1652959806 DNKMJMOFDKVABS-UHFFFAOYSA-N 432.480 1.653 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1 1655430793 GMMOFVXGBDBOGC-QHCPKHFHSA-N 439.537 1.835 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CC1 1666229520 AJMFGUAZLNFNEI-UHFFFAOYSA-N 440.490 1.751 30 10 IDEE CNS(=O)(=O)c1cccc(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 1675772464 BOYPXUGHAHGHQH-UHFFFAOYSA-N 427.530 1.935 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1689847589 CMXQMMVLIMPCKH-FCEWJHQRSA-N 436.516 1.701 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1689984379 OMBZEAJSBRHZSW-KRWDZBQOSA-N 446.529 1.380 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1689993088 VIIRFXOHDWTTDT-PXNSSMCTSA-N 439.651 1.541 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1689993496 FMAKBVQLBUSVOK-WMZOPIPTSA-N 434.587 1.984 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690663863 GUFIQAPHXGMFIU-UHFFFAOYSA-N 436.520 1.882 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690717936 VNZSPVRACUOSJD-IAGOWNOFSA-N 448.501 1.669 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(C)(C)C)CC1 1690724491 QFPRDZSKSPYEBW-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690724779 WHSIBWYIBKAKMT-BEFAXECRSA-N 425.555 1.083 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690970362 DTYQXABLCOUBQF-NRFANRHFSA-N 442.545 1.358 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1691436091 QIVYRJHSSDZYBZ-PMACEKPBSA-N 438.532 1.973 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1693847348 FXEHHRDRYHBAKD-RLBWVDARSA-N 433.472 1.568 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)C1 1696927916 AZEBTRHXBTUFCG-JOCHJYFZSA-N 435.488 1.962 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)C[C@@H]1C 1697076321 BUVFPKMSXXHGCT-INIZCTEOSA-N 439.520 1.866 30 10 IDEE COC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1697758137 WNLILLDSZOLQGM-DLBZAZTESA-N 431.928 1.831 30 10 IDEE COCCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1697990289 JNPLJXFUZTYFNQ-MRXNPFEDSA-N 434.491 1.844 30 10 IDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1698273582 BVWIRYXQOHAEOQ-SJLPKXTDSA-N 430.534 1.323 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1705590407 KFGNIDGOIHXCJD-GOTSBHOMSA-N 425.533 1.404 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1705605474 LYKMKYKOWXGAJC-QIEZACGCSA-N 442.520 1.305 30 10 IDEE C=CCCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705824726 YTGNXXOXGDSFCH-QHCPKHFHSA-N 446.596 1.641 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705897352 LDZBPFOSQKUUOE-GOSISDBHSA-N 431.585 1.228 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1705909016 JSYWHOTULQISCQ-YXWQFLTLSA-N 447.458 1.460 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705932948 PFSNWZVCGBCUKH-RDJZCZTQSA-N 445.545 1.269 30 10 IDEE CC(C)SCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1706713441 GJASSISELVXZTD-KRWDZBQOSA-N 439.545 1.105 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCOCCS(C)(=O)=O)C1 1706935618 VKNBSAGGROYIJF-VQIMIIECSA-N 425.555 1.363 30 10 IDEE Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C#N)c2)cnn1C 1707019662 AUJMDPKCHQOESL-AWEZNQCLSA-N 442.549 1.487 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1708278552 HPMGJGRGUUUSMN-AQOAWAETSA-N 427.505 1.741 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722316075 AUKIBAKUSJRNDP-MOPGFXCFSA-N 435.594 1.142 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccnc1)C(C)C 1722373801 QTTLJQLMZUANKI-IEBWSBKVSA-N 428.562 1.796 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1722390798 UZDCXUCKFBMWRR-PKOBYXMFSA-N 440.573 1.866 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CC1 1722568270 FSXVLIIUXOUZKD-UHFFFAOYSA-N 430.534 1.824 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCN1CCOCC1 1722614106 BLNKVZLECYNQIS-UHFFFAOYSA-N 447.609 1.973 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722628006 QNHKIBJQVHZPJU-CVEARBPZSA-N 445.524 1.906 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722703574 BXAXDCNSJJWMGE-SPEDKVCISA-N 433.553 1.626 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1722704711 WZZPORLSHHNNPO-JOCHJYFZSA-N 434.585 1.543 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)C1 1722714485 NPNFUMPMIKMDEK-DLBZAZTESA-N 428.468 1.788 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1722725119 FXGKHKBILUEVSG-OAHLLOKOSA-N 435.525 1.742 30 10 IDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1723632953 GTSBBOKKADLXRE-APWZRJJASA-N 426.521 1.851 30 10 IDEE CC/C=C/Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1727865034 UWNVGAQXYIPMOI-OAJJDEHYSA-N 441.561 1.740 30 10 IDEE CCCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1728121360 NLQYKHNBBIJLEP-HZPDHXFCSA-N 425.603 1.606 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)ccc1N1CCOCC1 1729076813 CGNGJBSMYPBPNP-SFHVURJKSA-N 430.484 1.567 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCOCC1 1740536800 MPULJACACHCMPP-INIZCTEOSA-N 427.505 1.669 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1740581305 UUQYAGJGBVXPRG-QGZVFWFLSA-N 446.581 1.035 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)CC1 1740694533 MJMKDIXFTSECIK-OAHLLOKOSA-N 431.447 1.029 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1740697273 YBVMCNBTLFOJHG-UXHICEINSA-N 448.637 1.436 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnn(CC)c2)CC1 1740700680 ZEIPEWFVPMTYSU-UHFFFAOYSA-N 435.532 1.886 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740964241 LTISRAHRZNVPFC-UHFFFAOYSA-N 449.515 1.124 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740966600 UQTZIZOVNOSSHU-IWFBPKFRSA-N 447.580 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(CC)C1 1740994170 JRXHOBOKNLJOAP-FQEVSTJZSA-N 436.582 1.746 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC2CCCC2)nc1 1741678153 BPWQMFLZICNTKQ-GOSISDBHSA-N 439.520 1.910 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1741798005 CPFFYTNIALQVPQ-FZKQIMNGSA-N 436.358 1.851 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1747617231 CSGMWJYTOZFYFH-KRWDZBQOSA-N 435.575 1.556 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCC 1748887168 WGLYPYGJXKCFJM-UHFFFAOYSA-N 441.561 1.227 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1749005694 ZWLBXAIIRULXGE-UHFFFAOYSA-N 432.532 1.798 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)N(C)CC)CC1 1749006488 PDLXEQAYVDAVJW-UHFFFAOYSA-N 438.532 1.398 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2scnc2C)CC1 1749009331 OYUDGXDDAKIUGV-UHFFFAOYSA-N 436.545 1.709 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749039046 OZCNREPHLYVJLC-CVEARBPZSA-N 432.550 1.359 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749456962 CDTWYEVQOYKLDQ-HLIPFELVSA-N 440.566 1.157 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1749668927 GPFAIRYBHRNLQA-LJQANCHMSA-N 442.539 1.936 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750196123 XADUYYZXPAXYSU-UHHPSXQGSA-N 448.549 1.085 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1750485530 YEVDZQYFMIZFMN-INIZCTEOSA-N 427.465 1.887 30 10 IDEE C[C@H](O)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1751245585 CPDVGUOEGUXZRG-BIENJYKASA-N 436.513 1.432 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1CC1CN(C(=O)OC(C)(C)C)C1 1760194863 RXFKCBSOQVIFJN-QGZVFWFLSA-N 431.537 1.942 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760348571 CPJNMTXGGUDSAW-VQTJNVASSA-N 446.596 1.654 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760389853 VPGODEATZIBLAK-ZWOKBUDYSA-N 441.598 1.565 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC1CC1)C1CC1 1760476669 CCQDLSSEEMNUMO-OAHLLOKOSA-N 428.580 1.160 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCCN(C(C)=O)CC1 1760526016 AGXJISYTTROEQE-UHFFFAOYSA-N 426.521 1.526 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760528253 XEQPXLRRDUXFFD-INIZCTEOSA-N 449.602 1.804 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)nc2OC)C1 1760534375 XEYUPKSGJYZGIG-MRXNPFEDSA-N 430.509 1.658 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1760550960 OVCIYVPLQPIWDV-GOSISDBHSA-N 447.561 1.075 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760761653 ZFQRUKVBAOZFEX-DNTCVELPSA-N 441.536 1.204 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCn2ccnc2C1 1761480795 KBEFTFPDQZKQLP-WBVHZDCISA-N 446.581 1.477 30 10 IDEE CCS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1766694457 GNEDQJAPPRSGOH-GOSISDBHSA-N 429.546 1.912 30 10 IDEE CN1C(=O)N[C@@H](C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)C1=O 1767443030 BFCUTJWNYAOFBL-KRWDZBQOSA-N 437.504 1.354 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768788610 ZAUMUMCPSKYOFU-RWNPKEDZSA-N 437.504 1.872 30 10 IDEE COc1ccncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1769012046 APDSATQGCVWSHX-HSZRJFAPSA-N 447.499 1.882 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)C1 1769156462 CLXGQRGYXNSSPW-QFIPXVFZSA-N 426.521 1.832 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1770117367 XMKMZBJGXCZPAX-PCCBWWKXSA-N 441.532 1.988 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC2CC2)CCO1 1770746545 BGDRYRCODLRAOQ-AWEZNQCLSA-N 445.321 1.963 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(O)c1 1771219147 JASCNZOPWFFLDF-APWZRJJASA-N 426.521 1.933 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CCC2)C1 1771365716 FFSLEIDVYKTZKF-UHFFFAOYSA-N 444.561 1.763 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCCCCO)c1 1771531582 UVOMHTKOOSVDJZ-NRFANRHFSA-N 429.546 1.994 30 10 IDEE COc1ccc(CC(=NOCCN(C)C)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 1853404299 SEGBIPHHVLIMOS-UHFFFAOYSA-N 446.529 1.603 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nc1C 1859476218 BJHQQYRUONEVCG-UHFFFAOYSA-N 430.398 1.937 30 10 IDEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870423905 SCUUMLVOQFSIDX-UHFFFAOYSA-N 441.532 1.725 30 10 IDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(N(C)C)cc1 1871034090 DAAKNYQIYRLBII-UHFFFAOYSA-N 426.517 1.950 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1F 1874433458 LVFHEALHGQMXDE-NUGSKGIGSA-N 430.465 1.937 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H](O)C[C@H]2CNC(=O)OC(C)(C)C)C1 2247572364 VJQHZVDQTNSKFC-XNROWMOSSA-N 437.537 1.780 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248413448 WYFVKUUXCASYKO-RISCZKNCSA-N 441.359 1.333 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255545226 MMZFPIHPXIEVSC-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255646549 WBYYHWYOTCECCA-OAHLLOKOSA-N 432.330 1.905 30 10 IDEE CCn1cc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2255807410 SYYOPTGTGMRKEB-KGLIPLIRSA-N 434.346 1.988 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2259926184 LRKOIDFOBRJRBB-ZSEKCTLFSA-N 432.330 1.696 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2267137613 SABCEICHOZUTIO-LSDHHAIUSA-N 448.329 1.169 30 10 IDEE Cc1c(C(=O)N[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267140953 GVWGNGSMUOGAQS-HNNXBMFYSA-N 446.357 1.933 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 2267154014 UOJHMNCMWCWQHX-PEBXRYMYSA-N 446.357 1.767 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2267263130 AXPGAQACJKHJMQ-UONOGXRCSA-N 449.361 1.632 30 10 IDEE CC1(C)OB(c2cncc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2267267970 NZDXCMRCUVKCSK-OAQYLSRUSA-N 436.365 1.585 30 10 IDEE Cn1nc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2267536888 FQWXMNJSDMUUIP-HKUYNNGSSA-N 441.337 1.823 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267541641 GWVOAYAABVXAPX-LRTDBIEQSA-N 447.345 1.101 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@]2(C)CNC(=O)OC(C)(C)C)n1 2267579574 VETVPKHDTODIPR-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 2267595644 GBCMEKDOTTTYCY-CQSZACIVSA-N 449.361 1.491 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2267827423 UTCYVAILOTYURN-SQNIBIBYSA-N 449.357 1.321 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873469 YUCPUKUKSPFUNE-VXGBXAGGSA-N 442.247 1.447 30 10 IDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@H](O)CF)c(Cl)c2)OC1(C)C 2282503252 XCZNLEQTPCGYGD-SNVBAGLBSA-N 428.118 1.901 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N=Cc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2294853632 VLLQYXRHVIIXOF-WDEREUQCSA-N 428.681 1.666 30 10 IDEE C[C@@H](C#CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)NC(=O)OC(C)(C)C 2302415895 UVWUPLLWFPHHRB-ZDUSSCGKSA-N 435.355 1.975 30 10 IDEE C=CCC1(N[C@@]2(C(=O)O)COC[C@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2306170331 IXLJEIQBSFIKTD-SZNDQCEHSA-N 441.525 1.889 30 10 IDEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)N(CC)CC)ccc1O 2330718089 WWUZLTILTADSTO-UHFFFAOYSA-N 448.549 1.861 30 10 IDEE N#Cc1c2n(c(=O)n(CC(=O)N3c4ccccc4OC[C@H]3c3ccccc3)c1=O)CCC2 9634444 FVCLLDRKEXBMOI-FQEVSTJZSA-N 428.448 1.995 30 10 IDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)c1 440388795 WHOOCFBKKIAAND-UHFFFAOYSA-N 449.507 1.966 30 10 IDEE N#Cc1ccc(OC2CN(C(=O)NC[C@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)C2)cc1 461947137 IZJKQMNINDVTMF-SFTDATJTSA-N 445.523 1.930 30 10 IDEE C=C(C)[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(F)c(F)c1 477750770 ZYXUNIOFFVPDCG-SFHVURJKSA-N 444.504 1.486 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccsc3)c2=O)c1 479358648 JVCZEPUPQWAQIQ-UHFFFAOYSA-N 440.550 1.700 30 10 IDEE COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 481015795 AAAJHQBQAPBGQG-UHFFFAOYSA-N 441.506 1.242 30 10 IDEE Cc1occc1C(=O)NC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481503769 DCFKFVPLIMVIPW-CQSZACIVSA-N 444.513 1.548 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 485912815 JWABQUZKCFCIEH-AZUAARDMSA-N 437.562 1.861 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 507382744 RCNXPLWIZZINIG-CPFNUKBASA-N 435.550 1.660 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508955763 JOXQNLVPSSDQOV-HNNXBMFYSA-N 442.545 1.732 30 10 IDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 522232269 LANDTRQGQCIGBB-PMACEKPBSA-N 447.495 1.579 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 526980077 JPYQSUPLWHEZAC-IBGZPJMESA-N 432.546 1.035 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cccc(OC)c2)CC1 549325963 BWNMAKUPMMPBME-LJQANCHMSA-N 427.505 1.913 30 10 IDEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1C#N 565688617 VPTKVKQPWKGHOK-UHFFFAOYSA-N 428.514 1.924 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C2CCCC2)CC1 580485231 UUFNCMDHKXKJOK-SFHVURJKSA-N 438.598 1.252 30 10 IDEE CN(C)CCCNC(=O)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673901 XQVPBPOXXOMFRA-BKGYTENDSA-N 435.484 1.703 30 10 IDEE CSCC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1nnc2ccccn12 585694702 IRLCLRDEZAOKMH-MRXNPFEDSA-N 426.477 1.967 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(F)c1 586864004 HQMVDKCDLPIKET-UHFFFAOYSA-N 438.459 1.429 30 10 IDEE Cc1nc(=NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)n(-c2ccc(C#N)cc2)[nH]1 610109867 GUJIPPOIYVOFAG-UHFFFAOYSA-N 438.513 1.745 30 10 IDEE CCCCn1c(=O)nc(O)c2c1nc(CN1CCN(c3ncccc3C#N)CC1)n2CC 619510213 CZCJRKHGSOSTAR-UHFFFAOYSA-N 436.520 1.707 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 730140878 YELNXGYGASMTRS-QGZVFWFLSA-N 437.541 1.270 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc1 730895199 HNZUPFKDBGZTLY-MDWZMJQESA-N 440.481 1.255 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 732152628 FGFBYUABXCKUOH-ITZAQCPESA-N 429.452 1.712 30 10 IDEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 732496478 WOUFCCJYHCLIRO-UTKZUKDTSA-N 446.463 1.818 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732668977 DBSSMEBIAQESNQ-QGZVFWFLSA-N 438.575 1.222 30 10 IDEE Cc1ccc(/C=C\C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(Br)c1 732909842 GPURIHQVIIUYOA-ZRUQZJFASA-N 425.304 1.737 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)CC1 733149881 WJMMQLFLTLJJFL-AQNXPRMDSA-N 446.592 1.838 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 741213526 PZFZEQWLVIJQFX-IBGZPJMESA-N 431.535 1.923 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1n[nH]c2ccc(I)cc12 745476433 XTXWTRLSXLZMTH-MRVPVSSYSA-N 442.213 1.725 30 10 IDEE COCCOCC(=O)NC1CCC(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 749531070 SSUBIWNYOCXSLX-UHFFFAOYSA-N 442.560 1.981 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755047562 GWZPLGAJRWNKFX-UHFFFAOYSA-N 436.562 1.736 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCO)C(=O)O 757240016 AVZVMANQYDCABA-LEWJYISDSA-N 436.464 1.869 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(F)cccc2I)CC1 760540216 MHSMMPCUWRXKNV-UHFFFAOYSA-N 443.260 1.328 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 761630405 PDSDRLFGZPUJDS-WSRQSJKRSA-N 436.538 1.425 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 778446723 FHUIDVRKNZBSER-UHFFFAOYSA-N 429.521 1.302 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H]1CCCN(c3cc(C#N)ccn3)C1)C2=O 791989085 XTORXUARHDCFKK-WIVVBHTDSA-N 425.489 1.966 30 10 IDEE CC1(C#N)CN(C(=O)C[C@@]2(C(=O)N3CC(C)(C#N)C3)CCN(C(=O)OC(C)(C)C)C2)C1 797761638 MWLDMEKVMVCITR-QFIPXVFZSA-N 429.521 1.748 30 10 IDEE C[C@@H](CC(=O)N1CC(O)(c2ccc(Cl)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 802666124 GXFZATVSBLUBBK-ZDUSSCGKSA-N 433.917 1.887 30 10 IDEE C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(N2CCCC2=O)cc1 803593854 CBKBXMQCKVWGEC-KRWDZBQOSA-N 446.511 1.606 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCO3)n2CCCOCC)c1 812188905 NOUCBETUQHQNBQ-LJQANCHMSA-N 427.505 1.849 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 813560554 GJVSCBDETVCAQR-HOTGVXAUSA-N 433.578 1.437 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C#N)cc1 917094134 UVAPXVZKAQBRRA-LJQANCHMSA-N 429.498 1.904 30 10 IDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084437737 IUWMUAZTOBKACK-UHFFFAOYSA-N 428.434 1.783 30 10 IDEE CN1Cc2ccccc2[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 1131378378 QIZNBYOSIHYDEO-AZUAARDMSA-N 431.452 1.593 30 10 IDEE CS(=O)(=O)C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1 1139904466 PFZMWUSPXYIYAS-UHFFFAOYSA-N 426.336 1.840 30 10 IDEE CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)CO)ccc1Br 1140740135 ZRCLXICWUIYIPN-ZDUSSCGKSA-N 438.303 1.888 30 10 IDEE C#CCOCCC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1148387379 HWBLKKLHVWGHDU-UHFFFAOYSA-N 425.489 1.977 30 10 IDEE C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1153301487 LMDXTMHAXAPFTP-KXBFYZLASA-N 442.516 1.444 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F 1153334026 BTJVMOZZHFFDCM-RHSMWYFYSA-N 441.431 1.376 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CCCCC1 1179650709 HXPZBZLYANTDED-RZQQEMMASA-N 425.551 1.857 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)c1 1264896762 WMEMRHJEUMYFMD-RTWAWAEBSA-N 426.517 1.615 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)CC 1286278840 HEMGCVXUNDYAGI-WQIZZMQYSA-N 437.591 1.422 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1286369264 JSWWNQDTQRBDRZ-QGZVFWFLSA-N 435.532 1.465 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnc(C)s1 1286438010 QJLSEJDUNCPTBE-UHFFFAOYSA-N 445.574 1.863 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1286467365 OVZGLFKEEISCDS-MSOLQXFVSA-N 446.577 1.349 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286549585 YBXYBBYUVCVEEH-LMMKCTJWSA-N 443.556 1.108 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286667701 MABJHJPYOHUHAQ-ULQDDVLXSA-N 441.598 1.875 30 10 IDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1286713469 AUPFNVOQZJIQSR-UHFFFAOYSA-N 431.518 1.556 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)cs1 1290435015 DNNLAOYIBVUATA-INIZCTEOSA-N 436.563 1.187 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCC(=O)N1CCOCC1 1290857897 DXYPWUCZCWHVHZ-UHFFFAOYSA-N 443.939 1.687 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1293167592 GRFAZKOOHMRNDJ-CQSZACIVSA-N 437.497 1.457 30 10 IDEE CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1294526215 UEJMWDXOJOPIQF-WOJBJXKFSA-N 440.548 1.909 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCS(=O)(=O)[C@H]4CCC[C@H]43)C2)C1 1297936528 FCRBMKLVEZTTCG-WFMQRQJPSA-N 437.562 1.951 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299006746 MOHYTABXQTWYLL-ANUWBXLYSA-N 429.525 1.064 30 10 IDEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300365902 ALOHJRGOPYALDJ-UHFFFAOYSA-N 447.609 1.833 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300482802 HFBVMLACWUYQDU-RBUKOAKNSA-N 436.626 1.054 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1300497294 YCAYUOYKWOOTMH-ROUUACIJSA-N 430.530 1.357 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1300502672 VUMODKKNOYNMBV-GOSISDBHSA-N 449.602 1.853 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1300654536 YVYZJJLQOPBOBK-MRXNPFEDSA-N 442.545 1.571 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ncccc2C)CC1 1300711159 TVGWOPPUWVNIHD-UHFFFAOYSA-N 435.532 1.232 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1300734217 UEZQCRBQWQOLSC-SJORKVTESA-N 440.639 1.319 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1301016624 AIRWXINEUCSNOQ-GFCCVEGCSA-N 426.930 1.376 30 10 IDEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1301118626 CZNHAXODHAZYGE-UHFFFAOYSA-N 443.533 1.850 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301262111 QWIWMCXLGXFQCJ-DYESRHJHSA-N 434.541 1.125 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301485109 QZGNQBMHMOSMMD-YCRPNKLZSA-N 442.476 1.540 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301506599 MSVHPAQCAQBAGY-QFIPXVFZSA-N 443.573 1.495 30 10 IDEE C#CCN(CC(=O)N1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1301753857 GEKCHJZBBLDVHX-NRFANRHFSA-N 426.510 1.442 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1301854301 VAHFBCVZSMXHSW-AUSIDOKSSA-N 438.532 1.975 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1303639959 HJQPNWQGBZEKMU-KUWNYOFRSA-N 449.602 1.845 30 10 IDEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)n[nH]1 1304679576 ALEVZMNPJCQHSA-UHFFFAOYSA-N 433.520 1.791 30 10 IDEE Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304824288 FHMPFWUSCNYXFM-ZDBRSUKYSA-N 445.524 1.559 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)c(OC)c1 1315424236 RGGZEQAINAMSPM-IERDGZPVSA-N 429.477 1.497 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1358961392 XUMJFHXOWCWXGW-GOSISDBHSA-N 442.520 1.801 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C1CC1)N(C)C 1359003007 VDOSRVZKZJYZOH-FQEVSTJZSA-N 444.605 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CCCO2)CC1 1359040228 MOOWQEGNZGYBNT-JOCHJYFZSA-N 428.537 1.049 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C)COC2)CC1 1359042928 ZOGKETUTJFMWOW-UHFFFAOYSA-N 428.924 1.996 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359133817 ZTVRLCGIWFJPCM-MOPGFXCFSA-N 432.569 1.957 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359303366 LRWFHRYRURLZLL-UHFFFAOYSA-N 438.561 1.658 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)C1 1359321708 KNOYUEAWQXNNCL-CVEARBPZSA-N 425.555 1.192 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)ccc1F 1437070355 NWIPXNPDUQKDOW-KRWDZBQOSA-N 441.525 1.293 30 10 IDEE CN1CCC(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)(c2ccccc2)CC1 1454286388 YTURUSGOGQXMRK-UHFFFAOYSA-N 440.569 1.895 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)cc1 1454704173 SBAAVRWZSKKAAG-MOPGFXCFSA-N 442.541 1.796 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 1455115338 OFPNUGZWHDAZOG-UHFFFAOYSA-N 426.336 1.093 30 10 IDEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 1455811960 FIPDJBAMWWHXPP-UHFFFAOYSA-N 439.509 1.948 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 1465665847 JTFZLMDQVUHZBO-DLBZAZTESA-N 431.599 1.813 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1469509510 JIRXDTQREYJLLG-LSDHHAIUSA-N 439.500 1.952 30 10 IDEE Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ncon2)cc1S(=O)(=O)NCC#N 1469602890 NJZQPESVLZMIRQ-KRWDZBQOSA-N 425.470 1.894 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)cc1 1471123579 RGGQTJBRAFOCLD-MOPGFXCFSA-N 440.525 1.243 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1471200615 KFFUHIUYQLZKHX-KOMQPUFPSA-N 436.534 1.830 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1498474410 JIOYSJVFYSBANS-CVEARBPZSA-N 431.541 1.637 30 10 IDEE CCN1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1502327519 PGJPFVSODJSUGG-DVSFIDLUSA-N 429.569 1.924 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)CC1 1502497436 WLZQULVWTLDSAN-UHFFFAOYSA-N 428.493 1.758 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507631639 FSMPGXCTUNWYSY-AKHDSKFASA-N 436.578 1.350 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1507642321 IVEHORYGASCNGQ-ROUUACIJSA-N 444.561 1.391 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1507648267 MOHOJCSUROUUEI-QGZVFWFLSA-N 445.527 1.570 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(=O)NCC)c2)CC1 1507725402 VCDZWXPSZXNQPZ-UHFFFAOYSA-N 431.544 1.837 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507750149 KEAYJIDNFHEJSA-KRWDZBQOSA-N 427.578 1.788 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1507751643 QOVNUBRTFBAXLI-MRXNPFEDSA-N 441.623 1.399 30 10 IDEE C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1507868450 KITZCRLCOYOFKM-AWEZNQCLSA-N 440.932 1.617 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1507944443 RQRGUSOLVULPHB-OAHLLOKOSA-N 437.545 1.715 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)C(C)C 1508011024 JZFGXTXHHDYHDS-RBUKOAKNSA-N 429.569 1.758 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508125154 HQNZRCKPQFLIEP-ZREAOVPFSA-N 449.515 1.572 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1508145783 PIAUWLNSKSXPPQ-OAHLLOKOSA-N 443.570 1.171 30 10 IDEE Cc1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1Cc1ccc(C#N)o1 1511813190 GEDMIMCAQJQLHA-UHFFFAOYSA-N 425.493 1.040 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCN(C)C(C)(C)C1 1511884955 CVAZHSQJNIGFOS-UHFFFAOYSA-N 440.571 1.950 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(NC(C)=O)CC2)n1Cc1ccc(C#N)o1 1513360602 HPKWNFKUEFWWHW-UHFFFAOYSA-N 427.509 1.814 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1516860047 HCPUWXPMCQKBGV-OXIDNPNJSA-N 442.589 1.742 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@@H]1C 1517703051 WWOCVHQGHLSRRU-AOMKIAJQSA-N 440.504 1.899 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C3CCCC3)n2CCOCCCO)CC1 1521111360 WXYVCWCAWNHUNS-UHFFFAOYSA-N 425.537 1.928 30 10 IDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)n(C)c2)C1 1538583098 MTGYMQKMKDGHAQ-MRXNPFEDSA-N 435.546 1.924 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(=C)C 1539517274 LDGIMMFGYRRZDO-MRXNPFEDSA-N 427.596 1.380 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539519864 KQDAJFFKHWHFFO-IBGZPJMESA-N 440.573 1.458 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539595820 GHHPQHPUKCWVSA-ZDUSSCGKSA-N 448.387 1.551 30 10 IDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539963605 YUJNGMMKAGPFOY-IAGOWNOFSA-N 440.552 1.983 30 10 IDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCS(=O)(=O)C1 1540064418 SCAGUOCHCCLGCY-HNNXBMFYSA-N 442.545 1.639 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1540127271 QAEVVQMQOGAFCX-UHFFFAOYSA-N 432.550 1.256 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@](C)(O)C1CC1 1541673725 ANKZZAAIVINSFD-JOCHJYFZSA-N 438.536 1.171 30 10 IDEE CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2C#N)CC1 1554486706 BRSKRGCXVRABNH-UHFFFAOYSA-N 444.543 1.988 30 10 IDEE COCC1=CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555320412 HZJGPKZLZYTZQR-IDYLYPCZSA-N 442.520 1.829 30 10 IDEE COCCN1C[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1555573816 DHINLZDLRACYHS-JTSKRJEESA-N 444.486 1.945 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)C(C)(C)C 1555664677 SHMXWKJAZXDTPD-WMZOPIPTSA-N 447.584 1.341 30 10 IDEE COc1cc(N)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1S(C)(=O)=O 1558466204 WTZOFKVPPPYJJY-CQSZACIVSA-N 429.502 1.664 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc2c(c1)CNC2=O 1558761646 MVGYEHZLGCTEFW-OAHLLOKOSA-N 427.486 1.417 30 10 IDEE COc1cc(/C=C\C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(Br)c1O 1558805879 XLTZNZWEIHFIBZ-IHWYPQMZSA-N 447.245 1.394 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 1559975980 DWFNMDFEPHTSEH-LJQANCHMSA-N 429.561 1.800 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nn(C)c(C)c2C#N)cc1 1586037192 OAIMVONVHBARFR-UHFFFAOYSA-N 435.506 1.136 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588029055 CWBPMCFJVOJYDS-RBUKOAKNSA-N 437.610 1.385 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1588139515 OIAPWJZXSLZBKH-MSOLQXFVSA-N 433.578 1.510 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1588186058 QSXWGARCJRDKMZ-HSZRJFAPSA-N 436.516 1.795 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588263037 OONLZQUNTXASMJ-MRXNPFEDSA-N 442.486 1.627 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2CCOC2)CC1 1588762572 LHYBNDNLFPXNBJ-SFHVURJKSA-N 443.573 1.530 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595555497 AMUWVFFBGPKNNK-GOSISDBHSA-N 437.504 1.749 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595845293 QZGSRQRGCNLQQZ-GJZGRUSLSA-N 439.611 1.535 30 10 IDEE Cc1c(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)cnn1C 1611872105 WJYLAIDGOFQQFQ-QHCPKHFHSA-N 448.531 1.885 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(Cc2cccnc2)n1CCCCCO 1612885334 QDOSQMWKOQCEGC-SFHVURJKSA-N 447.547 1.803 30 10 IDEE CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1613662540 HPTMQCAYVQFYEA-UHFFFAOYSA-N 440.552 1.561 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C)O1 1614261436 BYLZTKSNZDRBME-DOTOQJQBSA-N 448.549 1.282 30 10 IDEE CCOCc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616955980 QOFYIMQKQNYWPX-OEAGWNGGSA-N 446.552 1.982 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOc3ccccc3[C@@H]2CO)CC1 1620611903 LLZAJBNAPCSQEV-VXKWHMMOSA-N 438.503 1.963 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOCC)C(=O)OC 1622226503 ULEQLZURWNXEAJ-ZDUSSCGKSA-N 434.308 1.708 30 10 IDEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCc2ccc(C#N)c(F)c2)cc1 1622239134 HSHMRPXZTAYPHI-UHFFFAOYSA-N 426.491 1.989 30 10 IDEE C=CCn1cc(CNC(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)nn1 1626689497 PZBXZUPKXSHFHB-UHFFFAOYSA-N 426.296 1.878 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc2ccc(Br)cn12 1627844154 DXNVWZIDUGOXGD-UHFFFAOYSA-N 435.263 1.169 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(C)C)CC1 1632966686 VHRIIIMGPMHCMC-UHFFFAOYSA-N 429.546 1.530 30 10 IDEE CCOC(=O)CON=C(C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2)c1cc[nH]n1 1634208175 DNBLOROXDUILAB-IRXDYDNUSA-N 426.473 1.735 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1634790208 UOKDTYTYFBCFQL-UHFFFAOYSA-N 439.852 1.507 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCn3cc(Br)ccc3=O)C2)nc1 1635727722 DAVXBELRZAMRNA-OAHLLOKOSA-N 432.278 1.740 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1636007981 DAUIMOOINBXBDU-ZHRRBRCNSA-N 428.489 1.399 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)C1=O 1639594066 GPCCAGVUUJMFLL-QUSNUVHPSA-N 435.521 1.419 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)c1 1642995845 KVXGBMICRLLDJW-UHFFFAOYSA-N 444.444 1.105 30 10 IDEE COC1(c2nccn2C)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1643947263 ZMRNOIMMSBJGSI-UHFFFAOYSA-N 431.518 1.013 30 10 IDEE O=C1N[C@H](C2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CO1 1653002412 KOUCSKJJGNCYLF-KRWDZBQOSA-N 448.545 1.633 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1653659488 QPETVNSHQXSRBJ-UXHICEINSA-N 435.546 1.045 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCCN(CC)C3=O)nnc12 1654828654 BFYDFFBMNVWEHJ-HNNXBMFYSA-N 440.529 1.449 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 1665457229 KJIKWDVTMWCMRG-SFHVURJKSA-N 439.603 1.627 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C(C)(C)C 1666432494 VLHGPRILWRXJLZ-GDBMZVCRSA-N 427.548 1.321 30 10 IDEE CO[C@]1(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CCS(=O)(=O)C1 1684251614 KMFMXQLOIDWFIQ-SFHVURJKSA-N 426.926 1.247 30 10 IDEE Cn1ccnc1[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(F)c(F)c1 1684616826 GNINDJPIEZAZQM-URKNILKWSA-N 435.456 1.367 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689984883 XMHMEKKIBWPHIJ-GOEBONIOSA-N 437.953 1.903 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689987772 BYGFLBKGPYWELO-SFHVURJKSA-N 441.561 1.885 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccsc2)n1 1690109386 PRGHOOSDWLYHMV-GOSISDBHSA-N 439.545 1.822 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690133632 OATNMYVFZVUAAK-QGZVFWFLSA-N 444.502 1.223 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1C 1690196397 IWUIWNMBAKFBDC-HXUWFJFHSA-N 425.518 1.518 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(CCS(C)(=O)=O)C1CC1 1690342598 QBBDDKDUSQAVTK-UHFFFAOYSA-N 427.914 1.772 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1690432713 JUQKJGDLATYNDZ-MRXNPFEDSA-N 435.594 1.889 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCSCCCO)CC1 1690859213 NWGAPAZYXRGAGS-UHFFFAOYSA-N 444.561 1.513 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1696476956 QIINZYNXZCHNEJ-HXUWFJFHSA-N 444.517 1.282 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1697617622 DNBINRTXTWYYAR-INCQDFKNSA-N 431.518 1.506 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1705640865 IUJBDNXZNNJMDU-UHFFFAOYSA-N 443.555 1.817 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(N(C)C)cc2)CC1 1705641982 AYAKEILDYGCHOX-UHFFFAOYSA-N 435.576 1.464 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC(F)(F)CO2)CC1 1705643524 JFCTYRKEDFHAMY-BBWFWOEESA-N 425.480 1.182 30 10 IDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705808776 BZHBWEYBABNLQE-OAHLLOKOSA-N 429.550 1.840 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1705883859 YNYXMXADMLCTNT-UHFFFAOYSA-N 438.488 1.792 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1705901333 IRGNIYILFFWXER-UHFFFAOYSA-N 443.596 1.419 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705903645 ZPFLQQVLDCLPTJ-SFHVURJKSA-N 445.568 1.202 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705912934 YZYVBRYIEZSRJX-QRQLOZEOSA-N 427.505 1.692 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1ccc(C#N)o1 1706862789 SIACMFCBTLJKRL-CYBMUJFWSA-N 436.538 1.795 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1C 1707521717 AYMACJYWNFIIMB-GCJKJVERSA-N 440.504 1.682 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnnn1C 1711244260 VNOUNVSWQDVASF-INIZCTEOSA-N 434.277 1.665 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1OC 1712681605 BPBCLHQZXUIBFR-CALCHBBNSA-N 431.518 1.244 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1712884311 JXRFHDJQQZMMNS-MSOLQXFVSA-N 447.490 1.349 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1722361131 LKQAXAJLUJVPGO-IBGZPJMESA-N 436.541 1.913 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@H]1C 1722417864 WVQAILLWSDIMIB-KSFYIVLOSA-N 429.496 1.735 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1722473457 DSMGRGRVYHNQCP-DYESRHJHSA-N 435.594 1.019 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)(F)F 1722631788 WUHGUQBHFPZHID-LBPRGKRZSA-N 448.471 1.895 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722689582 VUJCUXJBVGRBIV-GREBRCKQSA-N 446.596 1.494 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(Cc1ccnn1C)C1CC1 1722700802 VBCRINGUAUPRDK-UHFFFAOYSA-N 426.550 1.839 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)c1ccccc1 1722868620 CMTULUCMVCBJEM-QGZVFWFLSA-N 444.561 1.860 30 10 IDEE CCNC(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1728662230 HCYUJGXEPXQYBN-FQEVSTJZSA-N 431.500 1.791 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1740533625 SHLSSYRFBXSRAI-JKSUJKDBSA-N 432.550 1.005 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCSC1 1740663982 XFQNTQCCZKWAPS-FQEVSTJZSA-N 448.618 1.874 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@H]2C)n1 1740689236 SLTSHICRBIABNQ-HSALFYBXSA-N 442.564 1.937 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(O)c2)CC1 1740698229 AXEQTCLYAKCJAH-UHFFFAOYSA-N 435.532 1.657 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)NC 1740735504 RTAAXAXTPSGQBG-HXUWFJFHSA-N 433.534 1.407 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1740764444 FKNSZORNUPGTFX-UHFFFAOYSA-N 440.552 1.492 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1740957339 KKMTZZQQPHLMGS-LJQANCHMSA-N 432.532 1.748 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740958175 KAZOPDXWVYQYEQ-GDBMZVCRSA-N 443.483 1.113 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccs2)C1 1740972743 MJVMQVQJSCSLGO-CABCVRRESA-N 425.580 1.974 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CC 1740988200 WSBDFOBIVLQEGR-UHFFFAOYSA-N 426.564 1.796 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740995457 MQJBNTRCGKCVPM-HNNXBMFYSA-N 427.596 1.447 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1 1741045263 CTQHYKWMEUIIOC-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC(O)CC1 1741172531 PONPJRQSVZDCMP-UHFFFAOYSA-N 439.564 1.957 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1741712069 UGEPXUXGYVEZHU-ROUUACIJSA-N 430.534 1.512 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCC(F)(F)C1 1741943475 GMILGIIAJMPSOO-KKUMJFAQSA-N 446.524 1.833 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1748638520 QKYVQTDSRBYWMV-INIZCTEOSA-N 438.513 1.857 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCNC(=O)C1CC1 1748680317 QCCLGHICJLVGPO-HXUWFJFHSA-N 449.603 1.627 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2ccnc2C)nc1)[C@@H]1CCS(=O)(=O)C1 1748817120 FQZOAPOEEYPJIA-GOSISDBHSA-N 439.545 1.405 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)S(=O)(=O)CC 1748918991 VWCAIAWBXNKCEU-UHFFFAOYSA-N 433.534 1.805 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)CCCO2)n1 1748971049 BJHFTUHDPCHWQB-XMSQKQJNSA-N 441.536 1.281 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)c2ccccc2)CC1 1748971378 NEKLTTIRLBHHMK-FQEVSTJZSA-N 435.576 1.794 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCS(C)(=O)=O)CC1 1748998836 BOCLIYCYYOAEEE-UHFFFAOYSA-N 445.589 1.664 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749450858 VXRYFNBMHQOCLE-WOJBJXKFSA-N 446.596 1.654 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1749682854 BDEPHMVXQTUTLL-WOJBJXKFSA-N 440.548 1.287 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)Nc1ccccc1 1750154472 OSTCXHNVUFDQPO-HQRMLTQVSA-N 440.504 1.760 30 10 IDEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CC1 1751241338 GAQWLMRUQBGWFV-NRFANRHFSA-N 444.561 1.449 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)CC)c1 1760098384 RTYLQUUQUAZWKQ-SJORKVTESA-N 432.594 1.846 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CSC)c1 1760174469 GISXASWAVAFPDT-SFHVURJKSA-N 449.602 1.592 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1760189541 JMMCHZJHEHJYET-LJQANCHMSA-N 444.605 1.478 30 10 IDEE C#CCN(c1nnc(COc2ccccc2OC)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760193188 WGQNOBAAJQXMIG-IAGOWNOFSA-N 448.545 1.527 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CC(OCC)C1 1760204621 WXKHQORJWGSDEB-UHFFFAOYSA-N 448.571 1.607 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC23CCOCC3)CC1 1760264777 FFWUJDMOTTXKLH-GOSISDBHSA-N 442.564 1.199 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760311827 BKUUQOOAZDUZFK-CQSZACIVSA-N 441.374 1.512 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760517931 CIAGZWMTPCFEEU-KRWDZBQOSA-N 438.532 1.751 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760524880 MEYZCDYFPCJKGQ-XLIONFOSSA-N 442.539 1.467 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC1(C)C 1761488177 ZRGSSMZQHBZXBF-WFASDCNBSA-N 445.549 1.469 30 10 IDEE COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769558780 AZZAZTXVCGBQQI-QFIPXVFZSA-N 444.584 1.504 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1771112118 GNXHPWKXVWRNIQ-JKSUJKDBSA-N 446.474 1.412 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1771172451 QEAKYCRUGLBWIV-SQGPQFPESA-N 444.536 1.672 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1772567399 MPOIDTXOTUGMHC-UHFFFAOYSA-N 445.612 1.618 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1772660219 YWCVCAYEYCCJCE-WBVHZDCISA-N 448.545 1.524 30 10 IDEE Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCO[C@H](C#N)C5)n4)ccn3n2)cc1C 1848500656 BLZLYANBFWRTMH-GOSISDBHSA-N 445.483 1.936 30 10 IDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc(-n3cncn3)nc2)cc1 1851950930 QAFOTRBZCOAOCL-HXUWFJFHSA-N 434.456 1.471 30 10 IDEE C=CCNC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1)c1ccccc1 1861605869 CRTLETFPOPVNDN-UTKZUKDTSA-N 435.480 1.986 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162282 NDEFNYJPMODMKH-IEBWSBKVSA-N 443.544 1.800 30 10 IDEE CC(=O)NCCC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccccc1C#N 1866802994 OVMSHPMLWNUJCO-OAQYLSRUSA-N 436.468 1.676 30 10 IDEE C=CCN1C(=O)C(=Cc2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2040498554 MMOJQZGMJDFPJA-UHFFFAOYSA-N 446.554 1.811 30 10 IDEE N#Cc1cc(I)c(I)c([C@@H](O)C(=O)O)c1 2060283896 RXQLXZIHBHSTPW-MRVPVSSYSA-N 428.951 1.885 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243675291 UNCDFRLVISHVIQ-PWSUYJOCSA-N 427.332 1.655 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C1COC1 2248419526 BZYRRURZHDOWKP-ZDUSSCGKSA-N 439.343 1.921 30 10 IDEE CN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H](CNC(=O)C(F)(F)F)C1 2254789502 CEVRBVAYOCVKGY-AWEZNQCLSA-N 428.264 1.180 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@H]1N(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255627810 YTCWURGOBZUQNX-CFVMTHIKSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255712850 SKCJBIRKKODIDZ-UKRRQHHQSA-N 436.314 1.536 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2255810570 LSOQIQKDPQHCKX-NSHDSACASA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255825875 HAZGUGQNMLGKEQ-KCQAQPDRSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2256018884 SQJWXWGGKCGUBJ-AWEZNQCLSA-N 436.314 1.307 30 10 IDEE Cn1cc(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1 2256923827 PWLXEWGMPGYCJJ-INIZCTEOSA-N 429.282 1.119 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256924668 OCHYIKGPJZCLBH-HNNXBMFYSA-N 429.282 1.499 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267606873 FDSVAEXUALGHGB-FUHWJXTLSA-N 446.353 1.943 30 10 IDEE CC(C)(C)OC(=O)NC1(C2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)CC1 2267871626 CIPLCEOTVSXJGD-UHFFFAOYSA-N 444.341 1.905 30 10 IDEE Cc1nc(NC(=O)[C@@H]2OCC[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268653252 LEUHCFQPILGFII-LSDHHAIUSA-N 448.329 1.705 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@]2(C(=O)O)CCN(Cc3ccccc3)C2)OC1(C)C 2269050628 QVJIVDYCUWRJFC-JOCHJYFZSA-N 440.309 1.168 30 10 IDEE C=CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCNCC1 2286019882 DOPWEPXSLMMPJO-KRWDZBQOSA-N 439.534 1.072 30 10 IDEE C#CC(CO)(CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2290350482 CPGDPENPRWSQNU-HNNXBMFYSA-N 441.322 1.358 30 10 IDEE CC(C)OC[C@@H](O)Cn1c(NN=CC=Cc2ccccc2)nc2c1c(O)nc(=O)n2C 2297551178 XUOAWTHXVZNDPI-INIZCTEOSA-N 426.477 1.733 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2340990719 JCAJWTVAFPSRGY-BPUTZDHNSA-N 444.341 1.904 30 10 IDEE CCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)n[nH]c1=O 23944207 KUCSPIZALWDALA-UHFFFAOYSA-N 438.535 1.183 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 444134588 GHYKQEPTHVDGCZ-HXUWFJFHSA-N 446.983 1.986 30 10 IDEE N#Cc1ccc(OCCNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 462908688 YVYMONBACUMRNC-UHFFFAOYSA-N 432.458 1.978 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 469030918 OHULDEFSPGTGFM-PKOBYXMFSA-N 448.504 1.917 30 10 IDEE N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 471633366 FRRSEGRNBLDHGT-QGZVFWFLSA-N 444.538 1.639 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 481487392 BZIFPHSVOLMAFT-INIZCTEOSA-N 446.573 1.913 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481979170 GWRYKBLEAQAIAF-AWEZNQCLSA-N 428.539 1.051 30 10 IDEE C[C@@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 503330285 GANUNIDOSAYFOV-QZTJIDSGSA-N 448.527 1.854 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 508883435 AAIKCNKVMGRKNC-KUHUBIRLSA-N 439.969 1.912 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCOCC2)C1 508921646 MIKRKAHRYKYLKB-MRXNPFEDSA-N 425.555 1.194 30 10 IDEE N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)nc1 510970751 TUSOKLJBQNOWLS-NKELODKYSA-N 427.505 1.722 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2-n2ccc(C(=O)OCC)n2)CC1 522843447 RUMSLEZCZRHWMP-UHFFFAOYSA-N 440.504 1.501 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4ccc(S(=O)(=O)NCC)cc43)cc2C1=O 525082785 QARHXHDMNZEQBT-UHFFFAOYSA-N 439.493 1.970 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(C2CC2)c1=O 541795715 HSXGWKOTQNPFTD-UHFFFAOYSA-N 447.476 1.998 30 10 IDEE Cn1c(=O)c2cc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)n(C)c2n(C)c1=O 543000288 VCTXEYYXADBMML-UHFFFAOYSA-N 437.847 1.539 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546251633 VJVUQGQAECXVPS-UHFFFAOYSA-N 441.513 1.173 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 558964721 NNKXTXYALWAEPH-HXUWFJFHSA-N 441.532 1.842 30 10 IDEE CC(C)c1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 572703194 BAEZKKGYUHVEFU-SFHVURJKSA-N 444.561 1.963 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@@H]1CCCO1 603800583 ZIDAWEFKUSXCSU-HNNXBMFYSA-N 429.929 1.547 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@H]1CCCO1 610574444 VHWSCKWSQFCXMI-GOSISDBHSA-N 435.549 1.748 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(Cl)nc3)c2=O)cn1 727164354 MEHCKVUYDGJADB-UHFFFAOYSA-N 425.901 1.553 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 732153507 IFXPUKIKKDCLKN-FKNXBIFSSA-N 433.468 1.065 30 10 IDEE C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 732705585 CWFIEGNGWLGBIW-ZIFCJYIRSA-N 437.544 1.942 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccccc2OC(F)F)CC1 742175327 YMMSCTYUIWVCIO-UHFFFAOYSA-N 436.440 1.769 30 10 IDEE COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 742251794 HPIOJLRLQOUAQT-FMQUCBEESA-N 428.445 1.165 30 10 IDEE O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764749305 DBIQZKUTRGFBHT-SQEXRHODSA-N 439.255 1.863 30 10 IDEE Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n[nH]1 768746168 JUADMUNMXOAPEJ-NZZMRGDMSA-N 446.533 1.217 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(NC(=O)CC2CCCC2)CC1)c1cc[nH]n1 772246825 OUMCFJBSPVVOLJ-UHFFFAOYSA-N 433.509 1.381 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OCCCOC 772451287 ICOCLJWUPFNTQR-HNNXBMFYSA-N 435.951 1.566 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H](C)c1ncn(C)n1 780313470 WBYDSHGGUDMIDW-DOTOQJQBSA-N 443.577 1.884 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC[C@@H](OC)C(F)(F)F)C1=O 786690203 TZYZSQCFXXCCMG-QWHCGFSZSA-N 446.451 1.821 30 10 IDEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793467128 IWCJRVKJZHUPGS-UHFFFAOYSA-N 447.520 1.829 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)OCc3cc(O)n4ncc(C#N)c4n3)CC(=O)N2C(C)(C)C)cn1 796424349 LPBYAIBMSCRCBF-MAUKXSAKSA-N 437.460 1.472 30 10 IDEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)CC1 800438897 KPOTZLGWOYFEDY-HXUWFJFHSA-N 427.549 1.453 30 10 IDEE COc1ccc(CN2CC[C@@H](Nc3ccc(S(N)(=O)=O)cc3C#N)C2=O)c(OC)c1 804855290 PQRYDBYALQHXJT-GOSISDBHSA-N 430.486 1.436 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)OCCc2nnnn2-c2ccccc2)ccc1F 919074983 KEFFESLCVPKECA-UHFFFAOYSA-N 431.449 1.665 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 919753823 PZHIGLBSJHUVKP-KRWDZBQOSA-N 447.520 1.856 30 10 IDEE N#Cc1cccc(C2(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CCOCC2)c1 1131371053 YIYGBLJIXWTDLS-HXUWFJFHSA-N 435.459 1.939 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(N4CCCOC4=O)CC3)C2=O)cc1 1134278534 JLZKVPLLCYLIFS-GOSISDBHSA-N 439.472 1.597 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1136335215 RVHHNVVYOPPZQT-UYAOXDASSA-N 425.460 1.885 30 10 IDEE C#C[C@@H](CO)NC(=O)c1cc(I)ccc1I 1141495586 FUNMUZJPDCQWCY-QMMMGPOBSA-N 441.006 1.620 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@@H](CC#N)C3)CS(=O)(=O)[C@@H]2C1 1166384510 HUXSIEYIXDWQBD-YLFCFFPRSA-N 425.551 1.809 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2=O)cc1Cl 1180028428 QOXYMEJDVIBWEM-ZIAGYGMSSA-N 426.864 1.455 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1197384296 HODXRHCDVJGEHP-UHFFFAOYSA-N 426.542 1.727 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286393583 LNFXILYVHZGYKW-RTBURBONSA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1286419213 ZMZJAESGJRKTEC-UHFFFAOYSA-N 444.495 1.967 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn2ccsc2n1 1286460241 BTIAURNXSAYVMR-UHFFFAOYSA-N 436.501 1.769 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N2CCOCC2)CC1 1286473552 PMUVQQGRPXKPEK-UHFFFAOYSA-N 442.951 1.603 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)CC1 1286481414 VKWQQBXYAIGNJM-SFHVURJKSA-N 435.594 1.142 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1286504718 SFEUVQIAJNKIPS-SFHVURJKSA-N 446.602 1.711 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286509579 UCBGNXJDARSAMW-GOSISDBHSA-N 432.594 1.876 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1286672257 KHMCOIZQUDYMED-INIZCTEOSA-N 441.598 1.829 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286712468 ZVGKCHCHOJSOIF-LJQANCHMSA-N 433.553 1.450 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286783647 XVHVNSVYDUNSOW-IBGZPJMESA-N 437.548 1.850 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1F 1286819423 JWCYUMPTYJWDNQ-QGZVFWFLSA-N 435.525 1.648 30 10 IDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1297758514 LQBKDUJKDLFDOR-UHFFFAOYSA-N 431.566 1.110 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(Cc2ccccc2)CC1 1300267701 IVHHQOGVYBZPPO-OAQYLSRUSA-N 449.603 1.790 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1300303854 LMIBYWOMMWPLFC-IWAYBZMOSA-N 438.557 1.951 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1300487664 KXYOLDWPUAHRFH-CVEARBPZSA-N 449.627 1.815 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300492588 NRQMOHGFSPOVOR-ZWKOTPCHSA-N 445.593 1.338 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1300504653 POZXTAXYLIIUGE-MRXNPFEDSA-N 434.518 1.204 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2sccc2Br)CC1 1300697372 BPKGXXCONGYCQV-AWEZNQCLSA-N 449.378 1.857 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300767396 WIKNTMQSKRRTGO-UHFFFAOYSA-N 441.605 1.277 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1301494363 LRYRIJVUPHPSHG-GMAHTHKFSA-N 431.540 1.844 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1301500447 MPBLFJDRGADCCJ-WOJBJXKFSA-N 425.533 1.922 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](OC)C1 1301588049 BPJUZWBTXIOIED-YJBOKZPZSA-N 434.518 1.617 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1301609782 OGLMAPJTNFRBPI-UHFFFAOYSA-N 447.565 1.777 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1301968314 LDNRLYQDXUODPP-MAUKXSAKSA-N 429.546 1.897 30 10 IDEE CC[C@@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1305374677 MXBIHMXOVRNXAT-RMYFCYLKSA-N 431.541 1.669 30 10 IDEE CN(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1314673272 KSKWPUCQBOHVOO-APWZRJJASA-N 428.493 1.098 30 10 IDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnccn2)C1=O 1314919581 JCVVZJBNSMGMQX-JOCHJYFZSA-N 432.488 1.633 30 10 IDEE COCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1316019949 LTLKCCMMZLLCDH-FUHWJXTLSA-N 426.525 1.933 30 10 IDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOCCCO)C[C@H]1c1ccccc1 1316540115 XSULKXGQFLTAPN-UXHICEINSA-N 438.532 1.657 30 10 IDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1342213594 VXMUTMXURIPAQP-HNNXBMFYSA-N 440.518 1.142 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1358969689 UOGAJROBQAUITE-QGZVFWFLSA-N 437.529 1.195 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[S@@](=O)C(C)(C)C 1359023218 DAZBMWVKWYFXRM-SSEXGKCCSA-N 435.550 1.639 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(CO)c2)CC1 1359046056 CFMWEFATPTZPAW-UHFFFAOYSA-N 444.539 1.770 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCNC2=O)CC1 1359059443 NPDHNVDFNAQIKM-UHFFFAOYSA-N 445.618 1.994 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1359092257 YPNWFYNGQSRJCA-NUJGCVRESA-N 439.520 1.621 30 10 IDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1359233080 QDGUXJVOQNRDCL-UHFFFAOYSA-N 444.355 1.598 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1359299174 XRASRLRYVSWPCH-MSOLQXFVSA-N 446.552 1.086 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)C2CCCCC2)C1 1359312057 MUDQNBWXZWEQPX-SFHVURJKSA-N 432.569 1.989 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCOC2(CCOCC2)C1 1359330298 NNYYTKFSUOBRSW-UHFFFAOYSA-N 433.534 1.327 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359437226 AYSMHCMBSMJUTM-UAFUQJIBSA-N 441.536 1.110 30 10 IDEE C[C@@]1(C#N)CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1437901640 PMZVNKRORUEEKP-KRWDZBQOSA-N 442.335 1.846 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 1440330250 WTGOQNXFWCBCAI-UHFFFAOYSA-N 430.417 1.427 30 10 IDEE C=CC[C@]1(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1450199660 GGEQWLAKXKMHML-GOSISDBHSA-N 449.595 1.602 30 10 IDEE COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1455524712 CWAUEGRBUKHUAN-LHSJRXKWSA-N 432.498 1.729 30 10 IDEE CNS(=O)(=O)CCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1469834685 XTBSWWYAORSJRN-RNFRBKRXSA-N 433.321 1.348 30 10 IDEE NC(=O)C1=NO[C@H](CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1470135695 JQWNZTOZCQCMNH-RRKCRQDMSA-N 438.275 1.429 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1479004364 KNHNNDQBZSLKNM-CQSZACIVSA-N 427.383 1.305 30 10 IDEE Cc1nnc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)NC(C)C)CCO2)o1 1492764479 HGDJMYUOYNCREM-QGZVFWFLSA-N 436.476 1.611 30 10 IDEE C[C@H]1CC[C@@H](C)CN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1493429720 LVNWHXQMJWWTKK-IWUFKXHHSA-N 441.536 1.552 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1502393571 NESKGNKGNYXXSN-IIBYNOLFSA-N 434.541 1.210 30 10 IDEE CN(C)c1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cn1 1503392716 GKLKECATMGNQJL-UHFFFAOYSA-N 432.488 1.174 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1505037417 NSMPAMBWKAXUNG-AVRDEDQJSA-N 427.505 1.457 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507635761 ZNXOVJRMPHLHQD-AZUAARDMSA-N 429.590 1.988 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCCC2)CC1 1507737183 ZNZQUQQUWLUJQX-HNNXBMFYSA-N 436.582 1.044 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507739761 KKYOYPXEVGZPTI-OPAMFIHVSA-N 443.573 1.436 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507754174 UYHWKXWZHOLNCT-QGZVFWFLSA-N 426.546 1.746 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1507797830 FKYBXNVMTGGZKZ-VDGAXYAQSA-N 441.532 1.886 30 10 IDEE Cc1c(Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)cnn1C 1510500354 HRHWHOLBRXZIGO-OAHLLOKOSA-N 445.325 1.865 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1517309144 LXYAHKTXKXDEOU-UHFFFAOYSA-N 433.534 1.515 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2=O)cc1Cl 1531316259 IKBMTYOMWIWTLG-NSHDSACASA-N 437.827 1.658 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCS(=O)(=O)C1 1539402986 MFABQOSIYDEDCN-HNNXBMFYSA-N 437.953 1.904 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1540199126 WFPGRBOEJGIKKI-GOSISDBHSA-N 425.537 1.912 30 10 IDEE Cn1cc(N2C[C@@H](C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)CC2=O)cn1 1540713828 DKDVAUJUYBYRPR-HNNXBMFYSA-N 432.488 1.162 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)C1 1540893279 ZNRIDRZJTLKLMJ-IAGOWNOFSA-N 437.522 1.034 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1541803071 BWZSLRXTSUHPNA-BRWVUGGUSA-N 425.555 1.362 30 10 IDEE C[C@](O)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1541954254 FXLYSYSMZLUOJT-VLIAUNLRSA-N 439.501 1.623 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)c(CCO)c2=O)n1 1542889207 RSCQVYXIUJNHMT-MRXNPFEDSA-N 426.864 1.755 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 1544720693 CMDONMGGKPZXGE-UHFFFAOYSA-N 442.541 1.499 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](c1ccco1)N(C)C 1546527296 AUBKENBLEUBGPR-GOSISDBHSA-N 437.552 1.977 30 10 IDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1554301127 DXRHPYBDCADRMC-UHFFFAOYSA-N 437.548 1.644 30 10 IDEE C[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1555943044 WNLPMOHALPJILX-LFKKDODXSA-N 428.537 1.744 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 1560077323 IBJFWYGXYGIRMF-UHFFFAOYSA-N 443.504 1.056 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)nn1 1564958028 CBZPOUGUSPWJIM-UHFFFAOYSA-N 446.577 1.914 30 10 IDEE Cc1ccc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1566308491 WGDWLPXPSUSJAD-HXUWFJFHSA-N 444.381 1.858 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1588053638 GLLQEGKCDYOGAG-ZWKOTPCHSA-N 445.545 1.251 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1588181327 RKAUXRMBWYDJQH-DLBZAZTESA-N 443.529 1.191 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H](C)C1 1595537498 RYQDLAPXVUTKHE-HOTGVXAUSA-N 435.532 1.977 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1595550366 DENPECXJADXMJL-QGZVFWFLSA-N 442.495 1.072 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602740 PKBRBIDZWNVQFP-VGSWGCGISA-N 443.552 1.348 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1595785150 RNGHLZQVBYOLBH-QGZVFWFLSA-N 447.609 1.590 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1595804642 DPODFVMPNXHVFO-UHFFFAOYSA-N 425.599 1.818 30 10 IDEE CN1C(=O)N[C@](C)(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)C1=O 1611235376 DXDOMWZEPOHBDJ-NPMXOYFQSA-N 431.452 1.947 30 10 IDEE Cc1cc(C)nc(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C#N)o3)CC2)n1 1611932987 TXNJYPBRXWXJDP-UHFFFAOYSA-N 449.519 1.663 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1cc[nH]n1 1626165133 CQQXCSNUDVSFNE-CQSZACIVSA-N 446.426 1.901 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C(=O)Nc4c(F)cccc43)CC2)cc1 1629484926 FWGJGJRYYHPHDH-KRWDZBQOSA-N 442.472 1.656 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 1629766278 SCYSJBIYNPWKDM-UHFFFAOYSA-N 449.554 1.927 30 10 IDEE C=C(C)CN1CCC(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1632862280 CPZFSXPUMJVNBB-IIBYNOLFSA-N 441.594 1.425 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)Cc2ccc(C(F)(F)F)cc2)CC1 1636480413 QGPPLXIQJDLKMJ-MRXNPFEDSA-N 431.480 1.886 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C3CC(=O)NC(=O)C3)c2)cc1 1637263435 AEZAOBFRNKWODU-UHFFFAOYSA-N 425.466 1.371 30 10 IDEE N#C[C@]12CN(C(=O)c3cc(=O)c4cc(Br)ccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1645991081 KMCPLGKPHSIMNB-DYZYQPBXSA-N 436.287 1.301 30 10 IDEE COC(=O)[C@@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)CCOC1 1647809156 GDBXLKBMWPUNMO-VGOFRKELSA-N 432.496 1.411 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC(N(C(=O)C(F)(F)F)c3cccnc3)CC2)CC1 1659607872 KZNFUMSMEASZAT-UHFFFAOYSA-N 437.466 1.219 30 10 IDEE COCC(=O)NC1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1666463359 IAPYUPWIQBXVPJ-UHFFFAOYSA-N 434.287 1.376 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1666856190 HLNPHVQHGKIZKJ-IBGZPJMESA-N 447.557 1.900 30 10 IDEE Cc1cc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 1667358175 AQWZJHHESOGSJN-QGZVFWFLSA-N 429.506 1.172 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC1 1668640141 VZJOPNBMYJHRPR-UHFFFAOYSA-N 430.490 1.194 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC4(CCC4)S(=O)(=O)CC3)C2=O)cc1 1681515122 FXXJIJCZFOEDPJ-SFHVURJKSA-N 430.530 1.806 30 10 IDEE C#CC[C@H](CO)NC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1682279971 AQTZJNJYUCTDMX-LSDHHAIUSA-N 444.351 1.286 30 10 IDEE C#C[C@H](NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1CCOCC1 1682293405 NGLUPURDXRCQQV-FPOVZHCZSA-N 431.508 1.571 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCn1cnnn1 1689850943 JTUQPZYKDDQDGZ-INIZCTEOSA-N 443.556 1.927 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1689988893 YFWRDJLMZQMBAG-IBGZPJMESA-N 439.545 1.251 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1690098297 CWLDZRDYDQVAFA-IBGZPJMESA-N 447.499 1.568 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690172456 GISSQEYAAUSMTB-JKSUJKDBSA-N 427.596 1.356 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690235085 WPLYBKQFJLCFGJ-MANSERQUSA-N 433.553 1.735 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690511136 QQBBZIVVRVTRCH-WIYYLYMNSA-N 443.596 1.889 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCCC1)C1CC1 1690545471 SBOBJEGFIKTONK-SFHVURJKSA-N 438.598 1.252 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1690577773 MLGQEQMBYVSRJS-MRXNPFEDSA-N 449.602 1.961 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1690626092 VCEHRCQAIJNGNO-IYBDPMFKSA-N 446.556 1.864 30 10 IDEE C=CCn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653609 YMVRAPLYEVVYIS-JOCHJYFZSA-N 443.552 1.496 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690673302 STJVBJUKKCMKAX-GOSISDBHSA-N 439.495 1.412 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)N2CCOCC2)C1 1690695022 ZSXVPFJXDQVRSU-QGZVFWFLSA-N 427.505 1.594 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2)C1 1690724844 XGBRJJFOLYVAIA-MOPGFXCFSA-N 437.610 1.838 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O)S(C)(=O)=O 1691017093 YQGDPXQJCBRFIT-LRAJWGHMSA-N 444.561 1.553 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1692593081 WUVRYRWJXOCKHO-RURFIKTLSA-N 430.509 1.444 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC(=O)N1C 1693775360 RLWXCFOLLNLFGS-MJGOQNOKSA-N 438.532 1.927 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCN2CCCC2)CCOC1 1696098832 WBQXIDDDFVLFFF-UGKGYDQZSA-N 432.569 1.925 30 10 IDEE CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1697005774 HJEFSQGYHHFVTB-UHFFFAOYSA-N 444.543 1.594 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1697708218 WRGYDIIWDLQGPU-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cc(CO)nn2)C1 1698483641 HIGUMERSNIMHBR-SFHVURJKSA-N 431.863 1.610 30 10 IDEE N#Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)o1 1698488096 JSDNBEMOWWVWNM-STQMWFEESA-N 438.410 1.800 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@]2(O)CCO[C@H]2C)c1 1705504815 FBXRWVBIAQCPPH-BXKMTCNYSA-N 446.511 1.936 30 10 IDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)CC 1705585275 PMACSGCTOYNMEL-RUZDIDTESA-N 434.588 1.877 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2c[nH]nc2C)CC1 1705634955 NJAPYMLLUOPCDT-HSZRJFAPSA-N 441.580 1.738 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CCC(N)=O)CC1 1705658872 DEGUWLGOONKZRE-UHFFFAOYSA-N 444.561 1.854 30 10 IDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1705739520 JILCYNJJDDKMDH-IBGZPJMESA-N 443.548 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1705933542 KQXFTZOQOVFQHZ-HZPDHXFCSA-N 442.549 1.756 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709906583 GTUCADGEWMMZMC-MRXNPFEDSA-N 443.502 1.802 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1=O 1712479185 SSQLSTSDILFOOY-IBGZPJMESA-N 438.532 1.927 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722305898 FBSWIHBSAFBSNT-IBGZPJMESA-N 437.548 1.887 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1722345145 WYQBLVKJPMZYIK-RTWAWAEBSA-N 435.594 1.208 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1722371410 WFLLMPVISVJZJA-GOSISDBHSA-N 438.500 1.962 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1722373946 OMZHTCVJXCOJCK-GOSISDBHSA-N 439.491 1.879 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)c1cc[nH]n1 1722374684 BASXZJBSGKZJJU-UHFFFAOYSA-N 439.426 1.772 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H](COC)OC)CC1 1722445463 QXCTZPPKZBPJTD-QGZVFWFLSA-N 429.496 1.711 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1722458673 QAPLQXGTCHQXRL-GOSISDBHSA-N 444.605 1.967 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1722508440 LJQOLNHCIIKZLM-BZSNNMDCSA-N 434.566 1.531 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722693231 HMKFLTKGPJUXQY-ZDUSSCGKSA-N 448.325 1.149 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nccs2)C1 1722727560 JIGXVBKBMWPBSK-HUUCEWRRSA-N 439.563 1.417 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[C@@]2(C)C3)n1CCN/C(O)=C1/N=CC=CC1=O 1723627598 RDHLUUWPOVHESW-PRFMLYBTSA-N 441.536 1.712 30 10 IDEE CCC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1727954875 WFIRZVFDTXMKKN-NVXWUHKLSA-N 425.493 1.579 30 10 IDEE COCCC1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 1730642371 CSPYXILTMHKYFY-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1740625130 MMLKNDYMPXVMOL-GOSISDBHSA-N 444.557 1.541 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1740917381 QJSDFEFMIRHLOP-XMMPIXPASA-N 449.559 1.531 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CSCCS2)C1 1740973518 YUMJEKBFGIAMQF-RRFJBIMHSA-N 447.652 1.518 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740990760 FJUGKZGYQPKIRI-HKUYNNGSSA-N 437.610 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740993904 FTUXXILTJHZHTH-ROUUACIJSA-N 435.594 1.859 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1741799354 IYRWBFXSWOEWPP-ZDUSSCGKSA-N 434.522 1.569 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)COCC2 1741906892 ZOYTYLYLKWEJLP-HUUCEWRRSA-N 432.550 1.748 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)NC(C)C)cs1 1742561140 GTCJBQOVGWSHQQ-CYBMUJFWSA-N 425.584 1.700 30 10 IDEE CCC[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1745216425 ILPGLGUFBPJGCM-TUPYQCFKSA-N 429.525 1.628 30 10 IDEE CCCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC)c2ccccc2c1=O 1745752157 KVWWIJCXJOQXIZ-INIZCTEOSA-N 437.504 1.830 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1747372235 JWGRARTXBRYEDR-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1748801705 DUBRXAUYZGZJKT-IBGZPJMESA-N 443.573 1.778 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(O)CCOCC2)CC1 1748976796 ANMBXFIZDXTRLF-GOSISDBHSA-N 443.523 1.854 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749199116 DBKNRZHUCRQFTO-UHFFFAOYSA-N 439.520 1.518 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)cc1 1749684243 UIQRBVJBZMZSRX-SFHVURJKSA-N 442.545 1.915 30 10 IDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](COC)C2)cc1 1749685385 CXNPMNRMKJUDON-HXUWFJFHSA-N 441.532 1.865 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ncnc3sccc23)CC1 1749725095 OPNIZOPDMCZWMQ-UHFFFAOYSA-N 433.563 1.519 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749767446 SWOXLSZQROQWIB-PMACEKPBSA-N 437.548 1.500 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1)S(C)(=O)=O 1750087990 CHUZGYZERKSMQJ-CVEARBPZSA-N 442.549 1.756 30 10 IDEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1750516568 MWMNNCSPJPAOLC-UHFFFAOYSA-N 433.534 1.779 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1760114788 SVWORPNDUZTTBD-TYPHKJRUSA-N 436.560 1.978 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCO[C@@H]2C)c1 1760128132 ZMBZWKICNBKKMZ-ZDWFVDTJSA-N 439.516 1.726 30 10 IDEE C#CCN(c1nnc(C)n1CCc1cccc(C(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1760180422 FDEDEZTUMOPNQJ-IBGZPJMESA-N 429.546 1.158 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1N1CCOCC1 1760237914 AGFGVKYAYMMJPR-UHFFFAOYSA-N 440.523 1.884 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1760242476 DVPUAFKUWQZMRZ-VGOFRKELSA-N 440.504 1.350 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760273251 MSMSTPKXCJPEBL-NRFANRHFSA-N 433.578 1.655 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1760286156 DGRAIXUKVBWUOF-JQVVWYNYSA-N 449.621 1.454 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760287498 UPSXJEMPXHIHOJ-CNNODRBYSA-N 449.621 1.670 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(OC)cc1 1760465254 ZZXTWGSAKKWQKA-GOSISDBHSA-N 435.550 1.485 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760524232 SPBPLPYVVJZGPC-FQEVSTJZSA-N 445.612 1.079 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)C1 1760534786 GHAPKKRUCKXRQS-NVXWUHKLSA-N 445.549 1.366 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCC2)C1 1760549657 JMCVDBHOHPFONJ-GOSISDBHSA-N 448.593 1.888 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(F)F)CC1 1760552515 QLTRGLSVNHNADW-UHFFFAOYSA-N 426.493 1.328 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCCC2)CC1 1760556146 VWHWSLWQLVDDGD-GOSISDBHSA-N 437.610 1.838 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1761362570 DMIDZURZWKRPNK-RHSMWYFYSA-N 434.522 1.468 30 10 IDEE Cc1ccccc1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1762142519 BAPWZZLQFAPAMI-DNVCBOLYSA-N 436.513 1.718 30 10 IDEE C[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1762890465 SXBGHWISYFOUGU-OSCRUYLVSA-N 441.536 1.667 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1766724559 CTOATJYNYIXGJP-BEFAXECRSA-N 444.561 1.760 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)CC1 1767689882 DNSJYNGHEFFZTD-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOCC1(C)C 1769127278 GEWDTSTUYZIYIA-KRWDZBQOSA-N 439.564 1.746 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N(C)C 1770010782 ZSYNOHCEYAEKRI-HUUCEWRRSA-N 429.525 1.487 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1770204828 RNHQISXUAZSOLS-YLAKUSLOSA-N 437.566 1.567 30 10 IDEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1770727001 KKDZPNRPYLPTSO-OAHLLOKOSA-N 437.504 1.620 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1770745907 FPLMYQFUGVTULK-QZTJIDSGSA-N 442.545 1.486 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1771283379 MSMSABUZHWNBPU-LPHOPBHVSA-N 448.474 1.891 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1771530242 FUNLJRTUDLCNAL-LIRRHRJNSA-N 437.472 1.873 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccnc(SC)c1 1772564694 SIQZTMCXBVXUMT-HNNXBMFYSA-N 438.579 1.398 30 10 IDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccc(F)cc4F)n3[nH]2)CC1=O 1852330934 OICOMGSXLYXBLA-STQMWFEESA-N 442.426 1.937 30 10 IDEE C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CC(N2C(=O)CNC2=O)C1 1853187473 BBUDPJPWRHGGQT-AWEZNQCLSA-N 428.452 1.554 30 10 IDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C1=O)CC2 1855105536 RLODZQKDVYGVGE-HKUYNNGSSA-N 429.542 1.994 30 10 IDEE CC(C)S(=O)(=O)N1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1855582003 YPRLQLFVDCSQKS-SFHVURJKSA-N 432.546 1.293 30 10 IDEE CN1Cc2ccccc2C[C@@H]1C(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1856514585 NAJPJULXKCHABU-RTBURBONSA-N 427.482 1.463 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c[nH]nc3c2)c(OC)c1 1870098385 BHFTVQUNOZJADE-UHFFFAOYSA-N 425.430 1.833 30 10 IDEE Cn1c(=O)c2cc(C(=O)NCCN3CCC(C#N)CC3)n(Cc3ccccc3)c2n(C)c1=O 1890408138 VUBMCXCFRHSMMJ-UHFFFAOYSA-N 448.527 1.052 30 10 IDEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1890971751 QSRWYQVFGOZVDG-NRFANRHFSA-N 445.519 1.989 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)cc1 1891515701 WMFFTXREFUZDFN-UHFFFAOYSA-N 427.465 1.180 30 10 IDEE COc1ccc(Cn2cc(C(=O)N3CCC(COc4nccnc4C#N)CC3)nn2)cc1 1891584729 OOCJYQJBCAVCKY-UHFFFAOYSA-N 433.472 1.928 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NC2CN(C3CCOCC3)C2)[C@@H]1c1ccc(C#N)cc1 1891916837 UFUHJEGGRUTGLQ-FCHUYYIVSA-N 442.585 1.931 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1993945232 KRAIMJWSJJKAIT-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE CCOC(=O)C1=C(COC(=O)C2CCN(C=CC(=O)C(F)(F)F)CC2)NC(=O)NC1 2042449047 YZRKNXKWMRBVDR-UHFFFAOYSA-N 433.383 1.017 30 10 IDEE COC[C@@H](CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2060639354 HCYGBGFHVZTCSS-CQSZACIVSA-N 436.318 1.644 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085655437 XGYXWKJUQJEPBA-LSDHHAIUSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](O)C1 2197488294 KJJIRTITKWTYDW-KSSFIOAISA-N 440.294 1.992 30 10 IDEE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CCC1 2247912926 NTTCGRZQCKHATF-UHFFFAOYSA-N 428.335 1.367 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254790160 IFJBODMWCBCRMU-HLLBOEOZSA-N 435.330 1.134 30 10 IDEE Cn1ncc(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255542120 NJHGABCYAQEPJE-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255603717 HWPKPPNSOQVXGZ-UMVBOHGHSA-N 432.330 1.694 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255707974 DGQASVSQTVJPKL-LSDHHAIUSA-N 435.330 1.414 30 10 IDEE Cn1ncc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255829466 PLUZADSVFIOCCX-OAQYLSRUSA-N 434.346 1.849 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2255831823 CKPAWIVFFCODME-HUUCEWRRSA-N 434.346 1.988 30 10 IDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255879524 QKHBHSIFBYMXIW-QFIPXVFZSA-N 434.342 1.991 30 10 IDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256055113 BKTUSUOJGJRLIX-UHFFFAOYSA-N 442.272 1.666 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256628730 MBGVJYHXDJMTAH-CABCVRRESA-N 435.330 1.558 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267008617 GUGRFADAWNKXKG-YPMHNXCESA-N 444.263 1.391 30 10 IDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)[nH]n2)OC1(C)C 2267143305 GMXDRCRWZKIFHR-RTBURBONSA-N 438.337 1.434 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]2C1 2267163668 IQPHJFWQICOPMI-CWRNSKLLSA-N 444.341 1.761 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2267878636 AMOJVKPURCXGOE-SFHVURJKSA-N 433.321 1.626 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268648263 XITBKPALMIVKKE-YJBOKZPZSA-N 448.369 1.919 30 10 IDEE Cc1nn(C)c(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c1B1OC(C)(C)C(C)(C)O1 2270598760 LRQAUSNJXRTQIO-UHFFFAOYSA-N 444.263 1.311 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2299125546 SQHFXXWSUPXMNR-JXQTWKCFSA-N 446.375 1.665 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](CO)C1 2322306477 KERFUJMZWLJNIY-AWEZNQCLSA-N 437.321 1.938 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2351705547 XURQUSTZYOSABC-HRCADAONSA-N 449.357 1.663 30 10 IDEE C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14281256 BSVWAMYUKSPKRF-YWZLYKJASA-N 427.482 1.620 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCC(C(=O)OC)CC3)cc2C1=O 22067514 KGBPNSQCXMZGLR-CYBMUJFWSA-N 428.441 1.426 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 33233809 QNABTEJJTDSBRG-UHFFFAOYSA-N 437.338 1.015 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCCOC2)C1 460392535 YTEQBNOZNMWWCZ-APWZRJJASA-N 425.555 1.194 30 10 IDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1-n1cncn1 460759470 QEJUTHCZYJJTSO-UHFFFAOYSA-N 436.497 1.594 30 10 IDEE CCOC(=O)c1csc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 470321175 RLIQZRYZOGRUFE-GFCCVEGCSA-N 436.515 1.217 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3oc(C(=O)OCC)c(C)c3c2)CC1 473910971 LUVLFDFQWCHXSF-UHFFFAOYSA-N 449.529 1.526 30 10 IDEE CCOC(=O)c1cnc(N2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 478015684 JJOOICFOVYACEJ-UHFFFAOYSA-N 434.543 1.787 30 10 IDEE COC(=O)c1cc(I)cc(NC(=O)NCCn2cnc(C#N)n2)c1 479085908 NFCNGIVSLDFZGJ-UHFFFAOYSA-N 440.201 1.363 30 10 IDEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H](C#N)C3CC3)CC2)cc1 481778078 KPLSHKCJNJBHDC-HXUWFJFHSA-N 446.573 1.841 30 10 IDEE CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccc2C1=O 486355594 RWJITFAFXRGNAR-IBGZPJMESA-N 438.509 1.261 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)cc1C#N 489884196 JPXHTJUPTUYURW-NRFANRHFSA-N 425.558 1.843 30 10 IDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 503834347 WKIFJSPMBUTUAY-MRXNPFEDSA-N 433.511 1.436 30 10 IDEE Cn1c(N2CCC[C@H]2c2ccccc2I)c(C#N)c(=O)n(C)c1=O 505775459 CQDPSESMACLDFN-AWEZNQCLSA-N 436.253 1.902 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C[C@H]1CCCO1 514492071 OSRICRYWPWCEMQ-OAHLLOKOSA-N 445.516 1.266 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 542075582 SQFCVOXUJBLYFD-ZDUSSCGKSA-N 429.868 1.256 30 10 IDEE CC(C)(C)n1cnc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 542333332 RHYCEEDTWCCMPX-UHFFFAOYSA-N 432.488 1.740 30 10 IDEE C[C@@H](C(=O)Nc1cc(Br)ccc1Sc1nnnn1C)n1cnc(C#N)n1 543988867 KGEBNEKRYYCONK-QMMMGPOBSA-N 434.283 1.787 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)C)CC1 559092488 IMDGFOQSJFADDL-UHFFFAOYSA-N 426.525 1.006 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 568102135 VHPQXPPGKFECCQ-NRFANRHFSA-N 433.512 1.370 30 10 IDEE O=c1cc2c(nn1CCN1CCCC[C@H]1C/N=C1/NS(=O)(=O)c3ccccc31)CCC2 585622559 QLYZKKHKABUJRI-KRWDZBQOSA-N 441.557 1.325 30 10 IDEE CCn1c(O)nnc1C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 588963901 AXFDTSNALNGJGX-KRWDZBQOSA-N 443.577 1.654 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3cc(C)ccc3C)c2=O)cn1 735068451 BMXCXDBPKRIQNE-UHFFFAOYSA-N 447.564 1.904 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 749530994 QYEGJINEPPGVAN-UHFFFAOYSA-N 449.496 1.368 30 10 IDEE Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)n1 750298870 DLHVSAAGSLMEOK-NWDGAFQWSA-N 425.463 1.677 30 10 IDEE CC#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 757213226 SJRKZAHNKAWQPA-NRFANRHFSA-N 448.475 1.965 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)c1cc[nH]n1 772303799 RBYFCINTLHWQFL-IFXJQAMLSA-N 433.534 1.954 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 794355949 BDXCDSORSSUAEB-HMNTXPNISA-N 447.289 1.365 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCNC(=O)OCc1ccccc1 813977803 JWJKQINGWPAHNF-HNNXBMFYSA-N 431.470 1.698 30 10 IDEE Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916776006 MMSABKDIYKDUJE-VCHYOVAHSA-N 426.433 1.637 30 10 IDEE Nn1c(NN=Cc2ccccc2O)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084443038 CUNWPHBIEQCTTN-UHFFFAOYSA-N 428.434 1.783 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)NC(=O)CN3C)c1 1125126222 RPEXSFSPGOYGLY-JJIBRWJFSA-N 442.501 1.535 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1152311809 MXUWZFKYWNYCQU-AWEZNQCLSA-N 439.472 1.551 30 10 IDEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OCC 1158280930 MNQFJKSNDVFENA-KRWDZBQOSA-N 444.937 1.989 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC)c1cccc2ccccc12)c1cc[nH]n1 1177969201 MZTGVGIQJGNUIV-LJQANCHMSA-N 438.440 1.877 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1 1194632691 DKVCDGJGTABEHS-QGZVFWFLSA-N 440.591 1.682 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2CC2CCOCC2)CC1 1198448764 BBDNKTQNEZEEBM-VQTJNVASSA-N 432.590 1.974 30 10 IDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1198573707 OOBCPUCMUNHWPR-QGZVFWFLSA-N 427.501 1.854 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl 1235861001 OHULLQQKKJHBDK-UHFFFAOYSA-N 443.953 1.995 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286303050 XCXAARLPDRULNB-XGNMISCSSA-N 445.483 1.713 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1286311901 NSQZCRMNKXBIFV-MRXNPFEDSA-N 428.541 1.794 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1286407704 ORDOMJIKELVZPG-CYBMUJFWSA-N 432.410 1.223 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286506285 HHSGIWPSFBVXRR-SJORKVTESA-N 426.608 1.942 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286787769 JISOXOVPKVZVGO-CVEARBPZSA-N 434.541 1.925 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1286799055 OYRYKNBJHVPLAR-KRWDZBQOSA-N 438.532 1.681 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1[N+](=O)[O-] 1290051918 GTOBKLMVOZVIRU-AUSJPIAWSA-N 448.501 1.766 30 10 IDEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCS(=O)(=O)C1 1290644808 XWNVGCMHLZKMNS-SIRSKZSMSA-N 425.551 1.809 30 10 IDEE COC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1299487310 RJLSYFDHGZPYHL-ZDUSSCGKSA-N 446.533 1.140 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(Cc3nc[nH]n3)CC2)C1 1300326565 PZLVSGJJOUKZAN-UHFFFAOYSA-N 430.310 1.219 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300498205 ISMDERJVVOWMAV-NQIIRXRSSA-N 431.562 1.298 30 10 IDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1300633351 GTXSCMHIUBZNSW-HNENSFHCSA-N 425.518 1.620 30 10 IDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300756856 VCDQSEFXNOAGLP-XLIONFOSSA-N 430.622 1.901 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCO1 1300806220 RNFUPQQSFCZCNV-PWIZWCRZSA-N 437.566 1.172 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301137716 WQBMFDVPJLRJAF-INIZCTEOSA-N 440.614 1.784 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)N2CCSCC2)C1 1301567603 XHOHZQGNTVAORL-KRWDZBQOSA-N 441.623 1.391 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301568238 FFDAOWZBIHARSQ-QGZVFWFLSA-N 425.599 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301586643 VANDTUIZWUJFGD-FQEVSTJZSA-N 434.566 1.632 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCn2cc(C)nc21 1301809771 SZHXJXUQBSDCMU-GOSISDBHSA-N 440.552 1.850 30 10 IDEE CC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301845242 ZPVBXPSJGNTTOV-FMQUCBEESA-N 443.552 1.498 30 10 IDEE COc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1307993624 IYFNLJVQHQTWAJ-DOTOQJQBSA-N 436.534 1.279 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)c1ccccc1 1312938813 ABOQSXMXZLRDMJ-QGZVFWFLSA-N 447.538 1.925 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1316168224 XCMYGKHKTFRPDY-HNNXBMFYSA-N 425.555 1.709 30 10 IDEE CS(=O)(=O)NCC1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1316360758 SWCMYSQPPQOISF-SFHVURJKSA-N 448.549 1.798 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC(F)F)CCO1 1316540499 KZWGTKRNWVOJMH-NSHDSACASA-N 426.374 1.257 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCO2)c1 1358901971 BTBIOHFTSVAINR-MOPGFXCFSA-N 436.516 1.855 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1358964913 JYYAAFZOIGYJCY-JWIGPWBQSA-N 440.616 1.326 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCN(C)C)CC1 1358984099 ILSCCKAIWRHSMP-UHFFFAOYSA-N 439.608 1.251 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2F)C1 1359023175 CDZZZVIARDMGDS-HKUYNNGSSA-N 440.523 1.981 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc(C)c(C)s2)CC1 1359040075 GYPXPXDJIQPNDO-UHFFFAOYSA-N 443.577 1.504 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)C2CC2)CC1 1359041862 KXOVOCRNXULKPZ-CVDCTZTESA-N 445.564 1.321 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNS(C)(=O)=O 1359849857 OZOGHFRCDUFMGZ-UHFFFAOYSA-N 446.581 1.009 30 10 IDEE CC(C)N1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1360138375 FOTDKTUAYKVNBZ-MSOLQXFVSA-N 438.536 1.775 30 10 IDEE Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cc1 1361284595 HVYWUWYXTGJBKH-AEFFLSMTSA-N 432.550 1.706 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cnccc3C#N)CC2)s1 1450474603 OZFJMSISVQFTAZ-UHFFFAOYSA-N 431.543 1.370 30 10 IDEE Cc1cc(C)nc(-n2[nH]c(C(=O)NC3(c4ccc(C#N)cc4)CCC3)c(CCO)c2=O)n1 1452454758 BNFQAABNTJBDFO-UHFFFAOYSA-N 432.484 1.788 30 10 IDEE COc1ccc(C(=O)NCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1[N+](=O)[O-] 1452497953 KKJBWQKPXJQCLC-GOSISDBHSA-N 437.456 1.942 30 10 IDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1455056388 NRXIDPIGHLHJHF-QGZVFWFLSA-N 433.310 1.719 30 10 IDEE N#Cc1cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1F 1458095141 XENXYXUDKIHFAU-UHFFFAOYSA-N 445.432 1.611 30 10 IDEE C=CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)[C@H](C)COC 1465958827 AJHQTJPQAWJFKC-MRXNPFEDSA-N 440.566 1.828 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)s1 1466252275 ILEJHSRHXVXUPO-GOSISDBHSA-N 438.575 1.461 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1469259100 GGMGXGMZMHKOJN-UHFFFAOYSA-N 430.505 1.759 30 10 IDEE CCOC(=O)[C@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCOC1 1469762121 CHKKYMIUGZSAHY-GCJKJVERSA-N 428.489 1.713 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 1478220675 WYZQODAPJMAKKO-HNNXBMFYSA-N 436.431 1.614 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCOCC2)n1 1492746081 HJYBLCMZBYUIEN-NRFANRHFSA-N 430.532 1.694 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1507531801 DEPIEPZKTQEOPR-OAHLLOKOSA-N 442.545 1.568 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCNS(C)(=O)=O 1507602978 KBEBYNIBAYGNFH-UHFFFAOYSA-N 429.344 1.055 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N[C@@H](C)CC 1507604900 OHOWTKGARMYHCQ-HNNXBMFYSA-N 445.593 1.921 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633020 RCYOHRBVZVKELV-IAGOWNOFSA-N 437.566 1.015 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1507667263 LJZUXKGWEJZYBU-XMMPIXPASA-N 446.511 1.289 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507739762 KKYOYPXEVGZPTI-ZHRRBRCNSA-N 443.573 1.436 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1507853033 GFHNCJNYDVPHJQ-AAEUAGOBSA-N 429.934 1.716 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)cc1 1518206458 COJHFPMNOLWXTD-LJQANCHMSA-N 440.548 1.963 30 10 IDEE C#CCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539139868 JCKNRHCXBJDXOE-NFBKMPQASA-N 431.581 1.891 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCC2)CC1 1539438522 ZXMUGEIUAZKKNQ-UHFFFAOYSA-N 442.589 1.200 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1539577105 GXVGKWXBIPLKKI-CQSZACIVSA-N 439.358 1.916 30 10 IDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)CC1 1540036662 QVMKGBLLVNCOGF-UHFFFAOYSA-N 445.593 1.614 30 10 IDEE CN1C[C@@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540544020 JYGGNNPIIMHABW-SFHVURJKSA-N 445.495 1.424 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(C)=O)CC1 1540907049 KHTVUFIQKPCWMA-UHFFFAOYSA-N 447.561 1.435 30 10 IDEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cnn1CC(C)C 1542110707 OEHVLLBOEIAWOF-RDJZCZTQSA-N 433.582 1.985 30 10 IDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1543677759 AJMJCMIEDHSCQN-WMLDXEAASA-N 443.479 1.872 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)s1 1545858400 PTAWBDNRXCLVNJ-CQSZACIVSA-N 446.554 1.670 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1555557975 IFYYRPRHVXFALC-AWEZNQCLSA-N 439.488 1.873 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1555742825 MJLUJBJBBRFRJO-FIKGOQFSSA-N 436.532 1.555 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1555806255 DWIYIYHYGPLMIB-IAGOWNOFSA-N 428.518 1.109 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1556650417 OMLALHBSMAKQBK-ILXRZTDVSA-N 449.451 1.078 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)s1 1558655626 CYPWLEJGDGIHHB-HUUCEWRRSA-N 441.575 1.975 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C[C@H]1C2 1559030269 LTXDBMGFQKXCRI-GVDBMIGSSA-N 448.545 1.741 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 1562600262 UJWPCQMVOBYWPX-UHFFFAOYSA-N 429.477 1.502 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)CC1 1562690036 BTTIGUKURTZQIN-UHFFFAOYSA-N 429.477 1.710 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)s1 1564953413 GXRROWAYJNWAKU-UHFFFAOYSA-N 445.526 1.330 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1F 1589150901 NNPBDRGGYIPCNA-AUUYWEPGSA-N 436.513 1.494 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1595544527 JNYMKYDSMBGTAG-CVEARBPZSA-N 434.541 1.435 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1 1595613342 CJMSSZOGDSGKJP-QAPCUYQASA-N 447.561 1.712 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595871147 IDAVVYHKBHPCIC-BZSNNMDCSA-N 434.610 1.695 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1595871786 ZDNNJBWHJPTLCQ-UHFFFAOYSA-N 444.586 1.680 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1611307830 HPLDGQPWERIPBJ-VGWMRTNUSA-N 428.534 1.488 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@]3(C)CN(C)C3=O)CC2)c1C#N 1612471018 YDLISJVJTYVTKF-QFIPXVFZSA-N 439.568 1.195 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613552951 IYCFUNKELIZBRV-CZIZESTLSA-N 443.552 1.959 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1615508509 LPGOMHYPCGRDFT-SFHVURJKSA-N 447.503 1.565 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1618656461 SPJYYSGBXJCAJC-GOSISDBHSA-N 439.520 1.217 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COc2ccccc2O1 1619911872 JSUPIXIDTVZPAZ-HZPDHXFCSA-N 426.477 1.436 30 10 IDEE COCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1620079376 UCBPDCPPFSRULG-LJQANCHMSA-N 441.536 1.428 30 10 IDEE Cc1[nH]nc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1I 1627843537 VYFDXWIOHIFGOM-UHFFFAOYSA-N 436.257 1.988 30 10 IDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1629616640 PAODUEZACIAIPQ-UHFFFAOYSA-N 428.495 1.772 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC(Nc4cccc(C#N)c4)C3)CC2)cn1C 1630762552 WRDWRWJMEAHJMV-UHFFFAOYSA-N 442.545 1.324 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCCN1CCO 1637250285 WLCRVZVEUAVVLH-KRWDZBQOSA-N 436.578 1.249 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C[C@@H]4CCCS4(=O)=O)CC3)n[nH]2)c1C 1642015370 KXXIALBNSWEOEI-KRWDZBQOSA-N 446.577 1.411 30 10 IDEE N#CC1(CC(=O)N2CCC[C@H](n3nncc3I)C2)CCOCC1 1643458027 DEZWMGLNVBQDSS-LBPRGKRZSA-N 429.262 1.757 30 10 IDEE C#CCC1(O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1644428546 HZKJTXKTNRAPTM-INIZCTEOSA-N 432.498 1.001 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1646376291 UKABCOMZBZDJSF-NZPGVSJUSA-N 448.545 1.882 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(Cl)c(Br)c1 1666567508 YZSYSYWYIMFSTP-VIFPVBQESA-N 427.729 1.309 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)CC1 1673787168 ZGWHFPBMYCHVPD-QGZVFWFLSA-N 436.534 1.170 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1689851153 MTFAJUNSPNNISZ-DOTOQJQBSA-N 430.530 1.848 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1690091124 JORJGMLQGLKXQH-GOSISDBHSA-N 442.520 1.741 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2cccn2)CC1 1690146059 DVTRVMGCBGJBOF-IBGZPJMESA-N 425.537 1.425 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(=C)Br)CC1 1690150800 VSEHQHYAKXPYBY-UHFFFAOYSA-N 449.353 1.275 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1690234753 MOFHATZDNSCZJR-CQSZACIVSA-N 428.331 1.770 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1690597202 MJUDRHWNMDMZHF-MRXNPFEDSA-N 434.541 1.901 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1690648343 ZGUFRFQFVANVBA-MRXNPFEDSA-N 444.540 1.389 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1690668174 WDINYKKWHHUZJE-FQEVSTJZSA-N 434.548 1.692 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C(=O)NC)CC1 1690676092 PQGFKIMFVFSVBC-UHFFFAOYSA-N 442.520 1.130 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1695983556 IPGMBAIWUOQBRR-DNZUHHBVSA-N 431.497 1.082 30 10 IDEE COCCCNC(=O)[C@H](C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 1698005217 QEJSAJIVLBZTJV-KRWDZBQOSA-N 437.548 1.815 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1698106798 GIPWTLBBYAIGGW-UHFFFAOYSA-N 448.531 1.578 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1698223012 GGPNXBLHYJQOSG-LJQANCHMSA-N 438.532 1.975 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1698443458 MXAUCVUESPJVBS-YLJYHZDGSA-N 437.548 1.452 30 10 IDEE C#CCCCCn1c(N2CCC(C(=O)NCC#C)CC2)nnc1[C@]1(OCC)CCOC1 1705522032 SSAVINOXEFIFQY-QHCPKHFHSA-N 427.549 1.700 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1705532603 PCWLIROBXODUTE-GOSISDBHSA-N 439.582 1.072 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705565393 ICHGRVBRZCIPGJ-MJGOQNOKSA-N 430.530 1.900 30 10 IDEE C#CCN(c1nnc(CC)n1CCNC(=O)c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705569606 FEYGBXFIAGQUPY-GOSISDBHSA-N 429.546 1.206 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1705596557 ICCSMINLJDCYAO-NRFANRHFSA-N 427.512 1.985 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)OC[C@@H]3C2)cc1 1705910285 XWWGLRDSGAVUGB-KRWDZBQOSA-N 440.504 1.670 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)C1 1705917467 WQDBREGEPPXYCZ-HOCLYGCPSA-N 436.538 1.122 30 10 IDEE C=CCSCCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1705949865 LDZLNKVBWYKRBU-UHFFFAOYSA-N 436.626 1.476 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1706079348 IUFGNPCTKNSZRY-SOUVJXGZSA-N 429.529 1.821 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1n[nH]c(C)n1 1722284907 QNEXZVDNTGUNRS-CYBMUJFWSA-N 426.912 1.989 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1722363258 ZRVPWDCRWOPYPL-BBTUJRGHSA-N 446.577 1.653 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CC(=O)N1CCOCC1 1722401070 KCCNPKRAKLAKRQ-UHFFFAOYSA-N 435.528 1.796 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2CCS(=O)(=O)C2)n1 1722426829 CXVWZNSMGRONHT-KRWDZBQOSA-N 434.566 1.319 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1722467040 KVBWNYVCVPMSKB-LPTQZCDUSA-N 449.577 1.998 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1722699795 YQKQAXGKROUPEQ-GVDBMIGSSA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCn2nc(C)nc2C1 1722730355 PNLQWRKHCHPKPZ-UHFFFAOYSA-N 441.561 1.584 30 10 IDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1722958718 JRQWBMMSZDCIFO-HOTGVXAUSA-N 426.512 1.951 30 10 IDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(CCS(C)(=O)=O)C2CC2)COCCO1 1724041520 VECHXQYCUCXVQK-NRFANRHFSA-N 445.545 1.636 30 10 IDEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)c1 1724547247 CGSMHDQMLDUMAB-FQEVSTJZSA-N 432.550 1.845 30 10 IDEE COC[C@@H]1[C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@H]21 1730960261 GEVQHEQPASARKH-IPMKNSEASA-N 445.545 1.492 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740566422 GPDQJHARKCXYGH-OGNFBWPZSA-N 439.582 1.465 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1740694019 VOVGFXUZQLXTLV-GHTZIAJQSA-N 425.533 1.760 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(CC)CC)CC1 1740952286 YTKONGVUUOGQKG-UHFFFAOYSA-N 440.552 1.538 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740953846 SMBCKBHSHYEZIB-OPAMFIHVSA-N 427.505 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(N)=O)CC1 1740987199 BXZHKWDTODJNRW-UHFFFAOYSA-N 447.561 1.646 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740990849 HLCFEWMUIZNHDB-UHFFFAOYSA-N 433.534 1.702 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C(=O)OC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1746681715 PPRJAWWNYHMUGG-OAQYLSRUSA-N 429.477 1.833 30 10 IDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1748714311 XVQAXPLXRMEFIU-INIZCTEOSA-N 433.516 1.662 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1748772773 PRDLADFLRZNWSM-INIZCTEOSA-N 431.566 1.391 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1748864535 YUOSVCAQWZMWMB-DYESRHJHSA-N 435.594 1.683 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1748894944 LNFGZEOISGOBTK-UHFFFAOYSA-N 439.470 1.784 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1748929234 HBJOINMIYSWCPI-KRWDZBQOSA-N 444.561 1.782 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1749064892 MWWICQRUGWFMFK-XMMPIXPASA-N 449.559 1.762 30 10 IDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1749318845 CFSSXUKBLUBRCQ-MRXNPFEDSA-N 428.493 1.900 30 10 IDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749762091 OQAUZCVNPNDYSL-UHFFFAOYSA-N 449.650 1.763 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@H](C)C2)CC1 1749884047 GBHVYSNSOHLPJR-QGZVFWFLSA-N 439.589 1.923 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2COCCO2)C1 1751272967 AYPMTNZFIHEDDY-UTKZUKDTSA-N 445.545 1.894 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)n1 1760112174 BQVVHAQMOQPCMZ-QGZVFWFLSA-N 434.552 1.671 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1760174484 MCRJGVUVOHEXKO-UHFFFAOYSA-N 432.481 1.185 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760189870 QRBQSBRMTDXZSW-OXQOHEQNSA-N 447.586 1.143 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1760191071 AEBZVFSMKADTNO-SFHVURJKSA-N 442.545 1.716 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1760345015 AHMIWDSWTGXCNK-LJQANCHMSA-N 443.596 1.576 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760517731 WGDHLBBVHRLEPT-NRFANRHFSA-N 446.458 1.565 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1760528258 XFVUHDYRIYNICS-INIZCTEOSA-N 442.495 1.500 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1760560334 SLHOBRJDQUOKFO-CQSZACIVSA-N 444.627 1.255 30 10 IDEE CC(C)(C)C(=O)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1760709179 SIBCCMGMVFLRHK-HTXNQAPBSA-N 441.536 1.377 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)C1 1761542440 HWLIEHHKGVPZRD-FDDCHVKYSA-N 435.532 1.718 30 10 IDEE CCCN1CCC[C@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1764490994 WLYGRMVIYQICDT-CNNODRBYSA-N 432.569 1.922 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1767380080 FMOUDOTXKDROOZ-UHFFFAOYSA-N 446.577 1.408 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C#N)CC1 1767860376 AMAZQIFJXITUGV-UHFFFAOYSA-N 434.522 1.155 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1771491488 BBXUIIZDFIIJNL-HHXXYDBFSA-N 445.545 1.777 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2F)CC1 1772567130 OTZMBZIDZCLWAS-KRWDZBQOSA-N 429.500 1.683 30 10 IDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCN(C4CCCC4)CC3)ccc21 1855096706 PNBDERAUKQZGAA-UHFFFAOYSA-N 430.530 1.655 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1855427140 KJHGZBIGUJFXOH-HUUCEWRRSA-N 431.514 1.529 30 10 IDEE CC(C)S(=O)(=O)N1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1855580179 YBPGIRGIEMMILS-GOSISDBHSA-N 432.546 1.293 30 10 IDEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc(Cl)cc3Cl)C(=O)C2)C1 1856838964 WPUWSYMIFRYFHF-ZDUSSCGKSA-N 445.328 1.205 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4cccc(C#N)c4)C3)ccc21 1858413708 LQWYKCNUFZZODM-CQSZACIVSA-N 426.454 1.652 30 10 IDEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870569301 XTGLECZLFMLWBA-UHFFFAOYSA-N 434.581 1.998 30 10 IDEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)noc1C 1890049277 BRQNCVOOIYRYDX-KRWDZBQOSA-N 447.513 1.652 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2010523930 PNWWCLSACDUTKP-UFYCRDLUSA-N 428.533 1.983 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)[C@H](O)C1 2076823091 YPPXCHZVWRFAHY-BWTQKZCBSA-N 440.346 1.460 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243686038 GONVBIBLFQDENU-NSHDSACASA-N 427.332 1.514 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247864211 CDHOGVBMJZVROS-ZIAGYGMSSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2248475565 CWBXOJWXTPKCJI-VLIAUNLRSA-N 426.319 1.023 30 10 IDEE C[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2255545969 YKASBHFTUFAEGJ-CQSZACIVSA-N 436.362 1.952 30 10 IDEE Cn1nc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2255623118 JJRDRQMIBCCARO-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H](F)CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628761 MTSRYQHSRXICPP-CQSZACIVSA-N 438.309 1.644 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2255682134 BXQCTMVUHVUYSW-MRXNPFEDSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267268261 RUWXIAOHRKGQGZ-CVEARBPZSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267270090 JLZJBYUSUUVOKS-OAHLLOKOSA-N 447.341 1.747 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2267581065 MXZQVVJSMWEJOM-ROUUACIJSA-N 437.353 1.461 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269045793 QXPVOGOBZLBCIS-QGZVFWFLSA-N 442.325 1.034 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@@]2(NC(=O)OC(C)(C)C)C1 2315529375 UOYDNPZECITJGA-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE O=[N+]([O-])c1cccc(S(=O)(=O)/N=C2/C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)c1 103927364 LMSLAIDMZYDXDX-HUZQBFDWSA-N 445.453 1.140 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 410226743 YRTKEURUHUEBFK-IEBWSBKVSA-N 447.561 1.636 30 10 IDEE Cc1ncc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 427117836 QAOIDVSAIGCNKX-UHFFFAOYSA-N 440.478 1.223 30 10 IDEE COC(=O)[C@@](C)(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccc(F)cc1 428578538 VZEXTHSFEXMWTP-FQEVSTJZSA-N 433.461 1.754 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 441834501 DLNSGTUBZLGGTM-INIZCTEOSA-N 439.438 1.574 30 10 IDEE N#Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 461204324 WATGYPRQZUWSKH-IBGZPJMESA-N 429.498 1.824 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Cc2cccc(I)c2)CC1 471491030 BKOYLDLAZPXCKH-UHFFFAOYSA-N 427.286 1.280 30 10 IDEE C=CCCCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 482095765 PBDTUDBXFODJLE-UHFFFAOYSA-N 425.526 1.863 30 10 IDEE COc1cc(F)ccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482198497 KNKWVRSTJBPFCF-HNNXBMFYSA-N 446.504 1.722 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2c(=O)nc(O)c3ccccc32)cc1 502424408 KNJXPCPJIGZUAA-GOSISDBHSA-N 449.492 1.904 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)C2=O)n(C)n1 505935882 QRYBLQOAZFWSHZ-LJQANCHMSA-N 442.545 1.102 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)CC1 523842727 OAFMQMHGIXVXKH-QGZVFWFLSA-N 445.589 1.245 30 10 IDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1OC 537836377 HLDPXTFRHHKZFR-UHFFFAOYSA-N 446.485 1.268 30 10 IDEE C=C(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(F)(F)Oc1ccccc1 549300011 VFUXILOOKUJMOL-AWEZNQCLSA-N 432.431 1.130 30 10 IDEE COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 558529373 HZXJDPDOYJMOHV-INIZCTEOSA-N 429.498 1.674 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)c(F)c1 586859252 XOSAJJYJORQWRS-UHFFFAOYSA-N 447.474 1.183 30 10 IDEE COCCN(C(=O)CSCc1ccc(C#N)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 603728723 JHNCVQAYQXWPBC-UHFFFAOYSA-N 445.545 1.972 30 10 IDEE CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1=O 619843480 GONFGNLOLIURHG-FQEVSTJZSA-N 433.464 1.549 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)CSCc2ccc(Br)cc2F)CC1 728530452 FVVQXZHIQWVFLG-UHFFFAOYSA-N 442.354 1.715 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 733154379 DTLLSQRXOZMWIB-CJSSAXJISA-N 431.452 1.495 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3F)c2=O)cn1 735069238 PUXCXIZSJHGSMD-UHFFFAOYSA-N 429.452 1.033 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=CC(=O)Nc2ccc(F)cc2Cl)C1 749789701 AKMNUOJLUUJQNE-HNNXBMFYSA-N 428.892 1.893 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(OCCC(=O)NC)CC2)ccc1F 752412315 AFZMIASPZNSPKJ-UHFFFAOYSA-N 427.498 1.047 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C[C@H]3CCCO3)c2=O)cn1 767871146 CGCKMKSHYCHQJO-QGZVFWFLSA-N 426.542 1.475 30 10 IDEE CN1C(=O)C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 768513524 PSFYUJXQRSEGCM-HNAYVOBHSA-N 446.916 1.467 30 10 IDEE C#CCN(C(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774241127 OZAXBAVMXOIJKL-ARFHVFGLSA-N 443.566 1.579 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnc(N(C)C)nc1 781026989 BQIFXEARVLNVRD-KRWDZBQOSA-N 444.561 1.654 30 10 IDEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCC1CS(=O)(=O)C1 786688656 VOJLSBQOKBIOOY-QGZVFWFLSA-N 446.554 1.593 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNc2nccc(N3CCOCC3)n2)C1 794519543 CBACXJIYPFINAP-INIZCTEOSA-N 447.540 1.474 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N[C@@H]3CCOC3)cc2C1=O 804633900 BOSDEPCOZAMENF-IAGOWNOFSA-N 441.484 1.978 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)C 812189885 LCKSNVDQJWRCOH-IBGZPJMESA-N 447.536 1.966 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(N3CCCCC3=O)cc2)CC1 812688187 TWZBJGABAJWEEG-SFHVURJKSA-N 427.549 1.894 30 10 IDEE C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 818638085 BKTXITANRKJPBH-MQQFZKDXSA-N 428.464 1.910 30 10 IDEE CN1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@@H](c2cnn(C)c2)C1 849498373 SPTQVQSRCQVZEN-PZJWPPBQSA-N 446.559 1.844 30 10 IDEE CCN(C)Cc1cc(O[C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)ccn1 856585632 KRDLGQIJKUKGEP-GOTSBHOMSA-N 442.608 1.679 30 10 IDEE COc1ccc(C(=O)CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)cc1 1084300991 BRYFKFUVXIVKQS-UHFFFAOYSA-N 444.521 1.227 30 10 IDEE CN(C)C(=O)c1ccccc1NN=C1C(=O)N(C(N)=S)N=C1c1ccc([N+](=O)[O-])cc1 1084526565 MDTNSAJQQWZVIA-UHFFFAOYSA-N 439.457 1.555 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 1227229607 BOZGFEIDBKTKJS-SFHVURJKSA-N 436.491 1.907 30 10 IDEE CC[C@H](Sc1nc(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1)C(N)=O 1274416525 AZNYLSDDLVLCGT-GJZGRUSLSA-N 431.543 1.988 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC=C)c1 1286311499 MXNBRFOBMUVZDZ-GOSISDBHSA-N 436.516 1.531 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1286395546 RTPFFDRFVBHAPP-RDJZCZTQSA-N 435.575 1.416 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286439989 ZZMHURVNZWIZHW-JOCHJYFZSA-N 441.539 1.813 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2COCCO2)CC1 1286484019 FTRRANOGGOOQCL-HXUWFJFHSA-N 427.505 1.036 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)CC1 1286537504 DPIFHGCGPICWSU-CQSZACIVSA-N 435.330 1.198 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286548566 OSMNRVACOZLGKR-IHRRRGAJSA-N 449.371 1.534 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286656668 PMWHTDZNOPFXIZ-XXBNENTESA-N 447.580 1.828 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1286778728 DYWYKZXBGMYHFQ-HUUCEWRRSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2F)CC1 1286782063 JLWATKVBRKLXHF-UHFFFAOYSA-N 446.490 1.980 30 10 IDEE COC(=O)Cc1ccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1287256838 UDPVMBJOENGAME-LJQANCHMSA-N 434.452 1.795 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1291193627 GIYOYUXKIWJDAC-AOMKIAJQSA-N 426.521 1.803 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(N(C)C)CCSC1 1293111420 TYTFKIHZCVAUJK-NRFANRHFSA-N 426.594 1.871 30 10 IDEE CCNC(=O)COc1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1294365653 RWENHARWMDHXKS-UHFFFAOYSA-N 433.461 1.568 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300340223 WUYOYALJNYGGPQ-NVXWUHKLSA-N 435.554 1.003 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1COc2ccccc2O1 1300411736 WKTZLGJEOCZXNB-IRXDYDNUSA-N 430.530 1.870 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300494269 ZOGWLOHWDWZSCY-SFHVURJKSA-N 433.578 1.575 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300494275 ZRLGXQXJCUCZKU-SJORKVTESA-N 433.578 1.826 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1300557816 YKSNIMCTYVXAQP-LJQANCHMSA-N 434.610 1.473 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[S@](=O)CC)CC1 1300690527 CNQWHOWLTCPASG-SSEXGKCCSA-N 429.546 1.240 30 10 IDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1300698597 VVUZERPATLSTIY-UHFFFAOYSA-N 427.574 1.947 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1301082915 LQINPXHQZUJDDX-DYESRHJHSA-N 431.468 1.709 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301491076 CYKKDZMZDNZCHE-UHFFFAOYSA-N 446.515 1.738 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 1301498438 ODAJRVWDZKNLHC-MRXNPFEDSA-N 439.476 1.609 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301510452 XYZMMUJOZXQGKQ-IRXDYDNUSA-N 427.461 1.316 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)COCCO1 1301809082 KCHHUGKPXGVHFK-KNQAVFIVSA-N 443.504 1.963 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1303507665 WSJLLEXEKICXNP-UTKZUKDTSA-N 434.541 1.210 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1303635832 JGPHWDKGZPICNT-PEBXRYMYSA-N 434.504 1.409 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCC[C@H]1C#N 1307994792 WRERBSPSHQPILF-MAUKXSAKSA-N 435.506 1.052 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1315356244 UILWYBQDDXESBV-IBGZPJMESA-N 442.520 1.853 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2sccc2C1 1316359239 DHYXFMJEOANBRT-UHFFFAOYSA-N 428.543 1.990 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 1322942691 DWXGLEJMWRGRFA-VLGSPTGOSA-N 436.921 1.896 30 10 IDEE C[C@H](NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)NCC(F)(F)F 1323133746 BRBVWTQIDODPIE-YFKPBYRVSA-N 426.264 1.629 30 10 IDEE Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)c(=O)n1C 1357760850 HNRBTESCEIEIRU-OQKWZONESA-N 434.522 1.122 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1358978326 JONNRWYEQUELIF-GOSISDBHSA-N 425.514 1.260 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1359010806 ZTKQNIUJTMHSSE-QGZVFWFLSA-N 439.582 1.156 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CSCCS1 1359018540 TUDITZTYVSAAAY-OAHLLOKOSA-N 432.575 1.860 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1 1359059805 APNSQVLJVWCLNG-UHFFFAOYSA-N 445.618 1.940 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359083239 FRMLRRIWRLJUBN-RRFJBIMHSA-N 444.399 1.762 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1359238266 FLJOUUQNVMDAOA-OAHLLOKOSA-N 437.504 1.711 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1S(C)(=O)=O 1359244171 STPHJJCEKNCEPG-CQSZACIVSA-N 438.579 1.316 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1359300654 HNQUSDXPAQQLPB-MJGOQNOKSA-N 440.548 1.740 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1359317044 AOMQBZGAFSAKQM-FQEVSTJZSA-N 434.504 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359333821 LCDLAVLILJHUHQ-IBGZPJMESA-N 445.589 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359335048 YNAHWZFOOMYJQV-INIZCTEOSA-N 430.596 1.235 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359343450 TYERDAIWEMMHQD-GOSISDBHSA-N 434.610 1.446 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCSCC1 1443578955 BDRVGSDCXTYPBB-ZDUSSCGKSA-N 442.003 1.517 30 10 IDEE Cn1nc2c(cc1=O)CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2 1444975727 CEIIPWIQKYSDEP-JXORXQGFSA-N 427.505 1.452 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNC(=O)c1ccccc1F 1445055591 ZGWXAZSLIAKSSE-CQSZACIVSA-N 432.477 1.300 30 10 IDEE CCO[C@@H]1C[C@@](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)(C(=O)OC)C1(C)C 1447830114 HILFUSMXVFPVRI-DNVCBOLYSA-N 426.466 1.600 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1 1451974269 SFOBDYBHIOTNDR-UHFFFAOYSA-N 448.545 1.410 30 10 IDEE N#C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1468044160 WNSSASRXQUNVEN-LLVKDONJSA-N 430.305 1.926 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 1468372333 CXHXTAUFQUIWKB-UONOGXRCSA-N 428.258 1.689 30 10 IDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(N2CCCNC2=O)cc1 1470344149 RSMHATKKNKYFFI-DKICVRJWSA-N 431.518 1.247 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1504936495 UVPZHJQSRLESDS-UHFFFAOYSA-N 448.531 1.762 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1507653202 PDWDHUMTFCAGPB-DEOSSOPVSA-N 430.512 1.909 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CCC1 1507703507 XHPOAKDAHFJAQP-SSEXGKCCSA-N 430.534 1.313 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ncc(CC)s2)CC1 1507715511 CFZGXVCXAPKOGR-UHFFFAOYSA-N 427.578 1.531 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(N(C)C)CCSC2)CC1 1507724668 UZYGZQBHSPLXFT-JOCHJYFZSA-N 425.606 1.456 30 10 IDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1507727510 PVPWNLRBOLFLIL-UHFFFAOYSA-N 443.573 1.498 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCc2cnn(C)n2)CC1 1507734298 KWWAJNYIEQBVIL-UHFFFAOYSA-N 436.520 1.574 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1513920293 FYZLQQLBNFJKSI-MRCUWXFGSA-N 439.495 1.833 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)CC1 1516756763 HSSLMICYGVCQSM-UHFFFAOYSA-N 446.577 1.410 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1519108418 CPLZKZQFNLPRKS-LJQANCHMSA-N 426.521 1.784 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCCC1 1519318471 IXQCKRBJKLEXEN-MJGOQNOKSA-N 432.569 1.874 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 1523980321 NRTFMYZEESGFHO-UHFFFAOYSA-N 435.238 1.970 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1539013641 JDOHSNITAMOFDK-JKSUJKDBSA-N 425.518 1.267 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](COC)OC)CC1 1539431246 SCWQMMLAWQBCEH-MSOLQXFVSA-N 431.512 1.974 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)N(C)C)CC1 1539446048 OZJXUFARSRBONB-UHFFFAOYSA-N 433.516 1.834 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOCC)CC1 1539848472 OXXFEDZBLYVPNY-QGZVFWFLSA-N 427.571 1.584 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1540072335 KRBAHRLRLQBHAF-INIZCTEOSA-N 427.571 1.583 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1540915482 LVTIUOOGKSBBEJ-IRXDYDNUSA-N 432.594 1.891 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CC=CCC1 1541674340 WJNWGXGSCRIMDC-UHFFFAOYSA-N 449.563 1.271 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)c1 1558215246 ZHPPAPSGWATLML-HUUCEWRRSA-N 434.436 1.965 30 10 IDEE Cc1nnc(N2CCN(S(=O)(=O)c3cc(Br)ccc3C#N)CC2)s1 1561944111 AAZUJUWFCAWHAP-UHFFFAOYSA-N 428.337 1.992 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCN2Cc3ccccc3OCC2=O)CCN1Cc1ccccc1 1565336412 ACWITYLAXDHDQL-OAQYLSRUSA-N 433.512 1.827 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCN2C(=O)c3ccccc3C2=O)cc1 1570560009 FWWDLMHMDBOERC-UHFFFAOYSA-N 441.509 1.909 30 10 IDEE CN(C)CCNC(=O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1587047221 QZDUGXDZIVRRCR-UHFFFAOYSA-N 434.581 1.553 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 1587862342 VGYPZKQOIBSBNH-INIZCTEOSA-N 437.566 1.569 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCC)C1 1595728841 GPBDNSIKHALOPQ-GBESFXJTSA-N 437.610 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCCCC2)C1 1595784851 LEUQBTSUBKIXKT-SFHVURJKSA-N 432.594 1.949 30 10 IDEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1596094474 ZAHRTGNCSIUFBL-SECBINFHSA-N 437.245 1.335 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)C1 1611767687 RAMRZZBIFBMWFG-KDOFPFPSSA-N 431.509 1.982 30 10 IDEE C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1613104350 DHORXMVDVDXAKQ-JOCHJYFZSA-N 432.392 1.661 30 10 IDEE CCN(CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1615368123 HVXJGVILOBORJO-JYRKZWEQSA-N 445.612 1.909 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CCO1 1618692885 GVPQBOQNOUBFTO-SJORKVTESA-N 444.586 1.617 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1619520940 RLIMDAMQTKQWDB-AJDGDAIWSA-N 437.504 1.728 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 1627381360 IIUQVNMHVHMDPP-CQSZACIVSA-N 441.509 1.875 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1629636710 JRRLDQHMDHQJEV-OAHLLOKOSA-N 426.454 1.544 30 10 IDEE N#Cc1cn(CCC(=O)NCc2cc3cccnc3cc2Br)c(=O)nc1O 1631008277 XWFAICDMTPNGHP-UHFFFAOYSA-N 428.246 1.838 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 1632344348 SCZSTFUVRSTLCB-HNNXBMFYSA-N 434.539 1.535 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1634302479 QPSSFSAOAYMSCY-JKSUJKDBSA-N 444.960 1.072 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 1636270482 HLLXUIWIXHAHEX-HOTGVXAUSA-N 431.541 1.230 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)C2)C1 1636855492 OQVQDNBYGOUZIH-OJLPUSQMSA-N 442.520 1.664 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CCO)c2ccc(Cl)c(F)c2)cc1 1648804552 NWANGWGBEBFHIT-QGZVFWFLSA-N 425.869 1.869 30 10 IDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1655843823 JMDBBDRIROBAJD-OALUTQOASA-N 437.585 1.246 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C(=O)OC 1670893188 GZISXUUWHDZACQ-GFCCVEGCSA-N 442.462 1.446 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 1675454792 PGHMCKPWVOGTKF-OAQYLSRUSA-N 427.549 1.244 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 1676030966 MXAWZHDVAGWGHE-RTBURBONSA-N 447.580 1.337 30 10 IDEE CN(C)CC#CCNC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1684872018 WOUQNRMTBMPWOS-PMACEKPBSA-N 433.597 1.809 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1689846650 MBFFJGCPWHVIJC-HNNXBMFYSA-N 428.518 1.619 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CCCC2)c1 1689870711 XPXPROGIIYTYLP-UHFFFAOYSA-N 432.532 1.831 30 10 IDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCN(CC)S(C)(=O)=O 1689967953 ZGKBZDWOJUIIBJ-UHFFFAOYSA-N 425.505 1.888 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689993190 XKBOSDONUAXQER-SXLOBPIMSA-N 445.589 1.952 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1689995811 AIVOEMQAFXXMMD-QGZVFWFLSA-N 449.508 1.219 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)nc1 1690108096 PBZAHVKWQBTTNF-LJQANCHMSA-N 426.521 1.496 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1690113781 USNKFFVCXFQJRO-LGVFNWMJSA-N 444.624 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCN(CC)S(C)(=O)=O)CC1 1690119326 ALZKHOYHSPBNSQ-UHFFFAOYSA-N 430.578 1.372 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccs2)CC1 1690134708 CCBOYBAOFPGSJK-UHFFFAOYSA-N 428.562 1.686 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)nc2)CC1 1690146787 WVSTWJGDOZGMJJ-IBGZPJMESA-N 438.532 1.590 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1690313361 RANHNTSHHQWWLT-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCOCC2)CC1 1690411713 SHATXIJFIVKEJQ-HKUYNNGSSA-N 437.610 1.551 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1690508099 AXMZXEHVYDBYCN-CQSZACIVSA-N 435.497 1.049 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690673801 FGVPQGZUPRSREK-HSZRJFAPSA-N 436.491 1.803 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)C1 1690685132 WHNMHYPMCXDAQM-FGSXEWAUSA-N 433.553 1.926 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690724842 XGAJXBRGUAZBCT-HNAYVOBHSA-N 439.538 1.151 30 10 IDEE CC(C)N1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1692495060 YDJXOMOJFNOFIK-XUTLUUPISA-N 438.536 1.720 30 10 IDEE C[C@H](CNC(=O)OC(C)(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1692741069 ICANPXIBSQZOOG-CKNLXJGOSA-N 435.504 1.832 30 10 IDEE CCOC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695996845 FGUSVYDCRPRJIM-DLBZAZTESA-N 440.552 1.974 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1705565939 KVDNRELHOFFSMP-YVACAVLKSA-N 431.518 1.599 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)C2CC2)CC1 1705651184 MWOSCFHLXFSOGM-HXUWFJFHSA-N 439.564 1.531 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705725584 JFGCBNOCAPSRJN-INIZCTEOSA-N 435.554 1.160 30 10 IDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C(C)=O)CC2)CC1 1705771374 QWDOHIBIQHZJQI-UHFFFAOYSA-N 426.569 1.460 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCOC2)C1 1705920846 FYUPEOSVFQIWAY-VGSWGCGISA-N 430.505 1.895 30 10 IDEE CC(C)(O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)c1 1706198287 KMMVQBZFPAPREE-KKSFZXQISA-N 447.536 1.898 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1706745526 BUTLPGMCNUIACK-MRXNPFEDSA-N 442.549 1.808 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCOC[C@H]1CCOC1 1708149769 TXNLBUUGCUNLBW-PKOBYXMFSA-N 438.532 1.927 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1712611092 RFQWYZALDVGDOU-GOSISDBHSA-N 425.493 1.084 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1722275161 CERJTDGPCHQYCH-JKSUJKDBSA-N 429.550 1.786 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)N2CCN(CC)CC2)CC1 1722435387 LPAPGTRQURRVFL-FQEVSTJZSA-N 439.583 1.865 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1722439603 IMUKMYAVXVWVMU-UHFFFAOYSA-N 427.574 1.632 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCSC2)CC1 1722440457 JKKRLYNZXDJOCS-JOCHJYFZSA-N 427.574 1.523 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1722629377 KNEZMJKUKCIJOG-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1722693596 ULSYVERDABJCGX-UHFFFAOYSA-N 426.521 1.703 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1722728662 ADSIJXKIZWUBOI-IBGZPJMESA-N 433.578 1.297 30 10 IDEE CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1726800945 XICOMJVVXSNFTJ-QFIPXVFZSA-N 438.536 1.268 30 10 IDEE CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1729204931 CFDLHLJYJVTRFT-ZDUSSCGKSA-N 429.506 1.624 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1730496500 AMUGEISAVZJTSO-INIZCTEOSA-N 444.467 1.792 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1730783445 PTWYGPRTGKMAAR-XOBRGWDASA-N 447.902 1.930 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2OC(F)F)CCO1 1731186884 HQBJPEZMEIPUJX-MRXNPFEDSA-N 446.458 1.973 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1740638500 NHTSTXVARBONJG-MSOLQXFVSA-N 442.541 1.729 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCN2CCCO)CC1 1740694005 VECVIJHEGYFQNN-FQEVSTJZSA-N 438.576 1.556 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740885761 NMUZUACEZDEPFU-JKSUJKDBSA-N 425.555 1.225 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740957262 HRYHMJJAGMWBEP-UHFFFAOYSA-N 440.939 1.961 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1740967006 ZRZBUDSQIONUTN-LJQANCHMSA-N 439.495 1.769 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740987692 XPTWTTDNAZMDLF-QGZVFWFLSA-N 438.598 1.730 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740993512 DKKFXVCXCUMEKH-CHWSQXEVSA-N 426.461 1.571 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1741124759 HCQWWDUFEACASP-LLVKDONJSA-N 446.313 1.843 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1747417014 BMXDLPZBBKSVCT-GOSISDBHSA-N 431.518 1.965 30 10 IDEE CO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 1748411564 ADHOSLKNMCEFPX-SFHVURJKSA-N 438.536 1.435 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1748816020 VQXRTABXPISZCZ-SJORKVTESA-N 437.566 1.063 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCS(C)(=O)=O)CC1 1748980004 VXXXVQHJFWIIEC-MRXNPFEDSA-N 447.630 1.931 30 10 IDEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749417563 LAAGLQSSVSBTRK-UHFFFAOYSA-N 435.536 1.809 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749461166 OAZMGQNPOZWCJW-HOTGVXAUSA-N 444.561 1.577 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)NC)c2)C1 1749693686 LVYCGJJFCXLRQU-SFHVURJKSA-N 426.521 1.606 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1751093248 LZGCBQNMRKAYOX-HZPDHXFCSA-N 429.525 1.591 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1760186207 BLKMJMGQPSVDJW-UONOGXRCSA-N 429.340 1.317 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1760193861 UHGBNMUCSOKADN-UHFFFAOYSA-N 434.500 1.079 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2C[C@H]2CC=CCO2)n1 1760252172 KBVHTJAEQRFSBK-PZJWPPBQSA-N 440.548 2.000 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760335141 LQXQTFOWIAAVNY-YJBOKZPZSA-N 434.566 1.673 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760373958 FXJJCKDHYIZYRL-CHWSQXEVSA-N 428.902 1.202 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760526622 QUVNPUAUCWLSGT-JOCHJYFZSA-N 426.521 1.430 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 1760533902 PBAHUBQEGIFINR-SLFFLAALSA-N 446.596 1.795 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)C1 1760533903 PBAHUBQEGIFINR-VAMGGRTRSA-N 446.596 1.795 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)N(C)C 1761422269 CJYIDCMCVZYCNK-POAQFYNOSA-N 437.548 1.641 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1764358228 IPNKDCXGGVVLSV-HXUWFJFHSA-N 432.550 1.761 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1765381691 HAHZGAQAIRTIPM-SFHVURJKSA-N 433.520 1.879 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCOC1 1771196189 YWTSDRNJCSYHMY-HZPDHXFCSA-N 442.520 1.964 30 10 IDEE C=CCN1C[C@H](C(=O)Nc2c(-c3ccccc3)cnn2[C@@H]2CCS(=O)(=O)C2)CC1=O 1851995533 PVJIWLMQZASQOM-IAGOWNOFSA-N 428.514 1.883 30 10 IDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1855104174 DLNDKLNFPAEWSB-HKUYNNGSSA-N 429.542 1.912 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)CCC)c3ccccc32)CC1=O 1857140961 BLPWPDMEKCQJBS-HOTGVXAUSA-N 433.530 1.777 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1867832429 CPCFYOZUNWNSFX-SJORKVTESA-N 427.373 1.283 30 10 IDEE NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869928033 NURPHGYAFFXDFT-GOSISDBHSA-N 440.525 1.060 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NCc2ccccn2)sc2c1CCC2 1872649939 VFAJYEIKYQTKKX-UHFFFAOYSA-N 438.469 1.763 30 10 IDEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c(Br)c1=O 2122546725 BIJOZRBQKGLQTN-CHWSQXEVSA-N 427.299 1.685 30 10 IDEE CC1(C)OB(c2ccc(=NCCn3cc(I)cn3)[nH]c2)OC1(C)C 2224073031 SHUDFUSZHIHCDG-UHFFFAOYSA-N 440.094 1.716 30 10 IDEE CC(C)(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2243678636 LYWBVQCAUCSYIX-UHFFFAOYSA-N 426.348 1.891 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248405211 SCIIBNFKIPPSRB-LBPRGKRZSA-N 441.359 1.598 30 10 IDEE C=C(CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O)B1OC(C)(C)C(C)(C)O1 2249064975 RYUWOPDEXJHQFF-OAHLLOKOSA-N 448.391 1.711 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2254795173 HKKHSZIHUPVTCZ-ZIAGYGMSSA-N 437.321 1.984 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCO1 2255630574 MFBSFQFSORGFLM-CYBMUJFWSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CF)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255631865 FSSZWHUFQCQMTK-HXUWFJFHSA-N 438.309 1.788 30 10 IDEE Cc1nn(C)c(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255632408 MPEBRQVAZFLUDQ-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2255651541 XYOFWVWSXOQRLQ-CABCVRRESA-N 434.346 1.895 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCC1 2255668804 FBBILNTVHMMWMW-UHFFFAOYSA-N 435.334 1.292 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255695697 JHVCEXQTPXTSOH-UONOGXRCSA-N 432.330 1.666 30 10 IDEE Cn1cc(C(=O)N2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267134575 RJTUCMUPOCHMBG-JOCHJYFZSA-N 446.357 1.945 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 2267171288 IDSFMHJUXAIRRJ-UHFFFAOYSA-N 446.357 1.802 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267586938 QSJMCJPYQZKHDH-UHFFFAOYSA-N 447.341 1.340 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268654061 VDUPFBYAGNGUDT-JOCHJYFZSA-N 447.341 1.939 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)=C[C@@H]1O 2268716233 UGIRTLXQAQONMB-CVEARBPZSA-N 445.325 1.904 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](CO)C(F)(F)F)cc2Cl)OC1(C)C 2282304804 PNSYZZATDIUCKA-QMMMGPOBSA-N 435.682 1.902 30 10 IDEE C=CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CC(=O)NC[C@H]1CCCO1)C2=O 35969055 RHSQUEVFPIWSQL-OXQOHEQNSA-N 428.464 1.470 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1 97656233 OHTTWFGGKUMFGW-DFOOEPSASA-N 449.529 1.318 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cnc3ccsc3c2)CC1 437224945 ATBFECGOMKBRNZ-UHFFFAOYSA-N 448.551 1.863 30 10 IDEE CN1CCC(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)(N2CCCCC2)CC1 460481087 RAZKPYJTNABIPI-UHFFFAOYSA-N 447.605 1.559 30 10 IDEE Cn1c(N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c(C#N)c(=O)n(C)c1=O 488751621 WFPQZHRCHPMGLF-FXAWDEMLSA-N 436.443 1.958 30 10 IDEE C=CCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508472580 KFOQMVPXYWBZIL-UHFFFAOYSA-N 425.580 1.605 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)CC1 510874127 XWBSOYQYSNHDBN-IRXDYDNUSA-N 431.503 1.459 30 10 IDEE Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1S(=O)(=O)NCC#N 519454852 WEBQARZUXSVAMN-UHFFFAOYSA-N 440.525 1.832 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1Cc1ccccc1 532362539 NFMYIXBHQKKOCR-UHFFFAOYSA-N 441.516 1.393 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n(-c2ccccc2C)n1 534195257 INZHFIGQNDCBKF-QGZVFWFLSA-N 444.499 1.827 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 537541947 VLYDZVIEOVOPQO-KRWDZBQOSA-N 437.903 1.214 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)CC4(C#N)CCCC4)CC3)C2=O)n(C)n1 546777765 FTAUJJAWXWQXAT-GOSISDBHSA-N 448.593 1.255 30 10 IDEE CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 555325106 HMELLJJFMBDYSR-KRWDZBQOSA-N 440.570 1.168 30 10 IDEE Cc1noc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H]3CCOC3)CC2)n1 559239788 KWSZGTSSUXNRCF-GOSISDBHSA-N 434.504 1.867 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 561560318 ADIIBNZMOCWRHP-KRWDZBQOSA-N 449.554 1.344 30 10 IDEE N#Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 609660838 CYIOLKAPHAZSDN-UHFFFAOYSA-N 428.470 1.261 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730141753 KWFPKHOXKSAKOC-WMZOPIPTSA-N 447.605 1.827 30 10 IDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1-c1ccc2c(c1)OCCO2 731547155 RHZUSWFAVVVNTA-UHFFFAOYSA-N 439.453 1.478 30 10 IDEE C[C@H](NC1(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOCC1)c1ccccc1 733649884 FFFPTZSNMVRJCT-UAFUQJIBSA-N 441.532 1.712 30 10 IDEE CCN(CC)C(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742596406 WUDPGPFVWAUXHV-OAHLLOKOSA-N 434.562 1.611 30 10 IDEE CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 743239287 XDRDFTGZKPKISO-HNNXBMFYSA-N 426.926 1.967 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)CN2CCCCCCC2=O)c1 754785678 FTECWFHACAABSR-UHFFFAOYSA-N 428.308 1.918 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](O)(C(=O)O)C1 757346008 HWGSOPRTZNNKNR-PXDATVDWSA-N 448.475 1.965 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 766320935 KVGGIMUUEPRDPK-QRWLVFNGSA-N 441.509 1.962 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2cccc(O)c2)C1 766793948 JKSXSWFDCOPMHA-GOSISDBHSA-N 429.498 1.811 30 10 IDEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)c3cccc(F)c3C#N)c(=O)[nH]c21 781593664 IXVXGRBCZKNEAM-VOTSOKGWSA-N 429.433 1.835 30 10 IDEE COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 782809518 BOOHJODJRGVSQQ-INIZCTEOSA-N 430.486 1.960 30 10 IDEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 785527099 GAZZOUYSARODEW-UHFFFAOYSA-N 440.934 1.370 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)n1 789082984 RULHFVPTUDDONB-SFHVURJKSA-N 431.443 1.758 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)n1 789204804 WUNLKSDNDOAMSD-SFHVURJKSA-N 432.546 1.845 30 10 IDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 792785468 RSLPTVLPGWJIOV-NHHWLVAYSA-N 439.493 1.824 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 800913988 QTJZMJFPWDMHBY-UHFFFAOYSA-N 448.770 1.548 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOC)CC1 802490555 LETZBGKUZLKPGT-UHFFFAOYSA-N 437.548 1.507 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 916775236 MGRYUNOAZHHIAP-UHFFFAOYSA-N 433.511 1.603 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 1116744577 RTVAUFSYMLRDQE-QFIPXVFZSA-N 436.553 1.929 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCc3ccc(C#N)cc32)C1 1127787802 XLVVKTSHKDKDNO-IIBYNOLFSA-N 431.514 1.729 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[C@@H]3CCCS3(=O)=O)CC2)cc1 1132958181 IHXSLHJRSCMWGS-KRWDZBQOSA-N 439.559 1.042 30 10 IDEE Cc1nc2cc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc2n1[C@H](C)CO 1140722773 AADCEWRYMMCQLH-CYBMUJFWSA-N 427.486 1.687 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1160198334 WIBCBOKYODHMAF-VBKZILBWSA-N 430.486 1.215 30 10 IDEE N#CCCN1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1171874490 GOADTVJRZPHUMI-UHFFFAOYSA-N 428.514 1.542 30 10 IDEE C#CCN(Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1)[C@H]1CCS(=O)(=O)C1 1180165677 HCSANQZAAGUGPR-KRWDZBQOSA-N 437.562 1.959 30 10 IDEE CCc1nc(C#N)cc(N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)n1 1184906054 VKBZGYKBGJPVHB-UHFFFAOYSA-N 449.558 1.134 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1214354262 JKFWWSZJMAJKMY-IAGOWNOFSA-N 434.562 1.704 30 10 IDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(N2CCCOC2=O)cc1 1251454265 WBBLLZKRNBJOTJ-PTSWNOGYSA-N 432.502 1.674 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1286395871 ORZRSDXLMHOUGE-QZTJIDSGSA-N 434.566 1.191 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)nc1 1286407109 CUEBGKZYKCHLIU-UHFFFAOYSA-N 431.456 1.480 30 10 IDEE C=C1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1286644320 ROQKEHSUVWYSKZ-UHFFFAOYSA-N 431.522 1.548 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1286722308 HLXOATNOYNMZBW-UHFFFAOYSA-N 444.517 1.156 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(Cl)nc2C1 1286778928 MDBQPJCBCUZFDZ-UHFFFAOYSA-N 429.912 1.427 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1286788650 AUCKANVMGLFDKX-IAGOWNOFSA-N 427.461 1.294 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286832041 GWTXVCKXHBQACF-HNNXBMFYSA-N 429.612 1.609 30 10 IDEE CCc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1293121834 IVMLPJGYAYRKTG-IJYGLTAASA-N 429.525 1.060 30 10 IDEE CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1294613787 RNBAUZUKEJSREX-QYZOEREBSA-N 444.561 1.765 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1296231557 HYTQHWFENLNJAT-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1297156427 CKQCHZRPBGBEHT-IBGZPJMESA-N 437.497 1.739 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCN2C(=O)c3ccccc3C2=O)cc1 1299763236 GLXRBOUABFQVAC-UHFFFAOYSA-N 439.493 1.356 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300501548 LZASGZLERFKYMP-LJQANCHMSA-N 441.557 1.384 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300504745 RLAUBVOUCHMPMH-UXHICEINSA-N 445.589 1.744 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H]2C)CC1 1300710818 MJBVQYAKCSZNEK-IEBWSBKVSA-N 426.565 1.916 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1 1300733354 JJFFMIIYXIYGLP-INIZCTEOSA-N 437.533 1.725 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1CCN(CCN(C)C)CC1 1300778969 LYERALIREHRBOX-HSZRJFAPSA-N 429.613 1.682 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C(C)(C)C 1300898686 ZNXFAKSYYGIORS-QUCCMNQESA-N 448.612 1.441 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C 1301367521 POUNMVMOZBHLMS-IPMKNSEASA-N 443.596 1.595 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301457808 BEIHDRINLHCJOH-KXBFYZLASA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](COC)C1 1301510562 YSLQMSRSEUWREQ-OAHLLOKOSA-N 432.550 1.435 30 10 IDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301615262 IRKGNNRLXMVHDV-GDBMZVCRSA-N 437.591 1.913 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1302452877 DVGWMWDLGRGOEK-UHFFFAOYSA-N 432.550 1.460 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1302483558 ICYPJULCUFBZIY-UHFFFAOYSA-N 444.561 1.640 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1 1303385351 CMRQSMUFLUNCOJ-AABGKKOBSA-N 446.569 1.756 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1303483445 JHARCDJEXAQSPK-OEAGWNGGSA-N 444.536 1.691 30 10 IDEE Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1304856125 VUGRSXDUNFWNAD-IWKHNONTSA-N 439.495 1.967 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1305116690 IBBGMNPDEHZTGU-QGZVFWFLSA-N 437.548 1.594 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N 1307991108 JDRLILUMLDDGQY-CABCVRRESA-N 439.559 1.539 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCN2CCCCCC2=O)cc1 1316529821 DSYSEJJHKCALGP-UHFFFAOYSA-N 435.532 1.936 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CN(CC(C)C)CCO1 1358976867 UYBVETFKWSLIHE-SFHVURJKSA-N 438.532 1.435 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1358994254 IOLFLIKHYXPGPV-GOSISDBHSA-N 426.546 1.152 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1358994420 NCLYOALKLSECMC-AUSIDOKSSA-N 438.553 1.477 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 1359099237 LJNADYHHBLWDKC-TWMKSMIVSA-N 438.550 1.161 30 10 IDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1359150777 GLUCDRLUKUOLSJ-INIZCTEOSA-N 430.944 1.919 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1359167926 ZZVVJOVULDFQLG-KRWDZBQOSA-N 438.523 1.913 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359331398 XGXBTYXHZJZZOA-OAHLLOKOSA-N 436.538 1.589 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359334855 SMMTVYFJUZMXHU-MOPGFXCFSA-N 447.609 1.413 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1440687086 UIWOBPUWEPSDAR-CQSZACIVSA-N 426.857 1.742 30 10 IDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1454868814 KYHXRNQKOICLTH-FQEVSTJZSA-N 442.541 1.162 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCN3C[C@H]4CCCCN4C3=O)CC2=O)cc1Cl 1461754661 OKOHQWSQYSAFSS-NVXWUHKLSA-N 429.908 1.971 30 10 IDEE C=CCOc1c(Br)cc(CNCc2nc(CS(C)(=O)=O)n[nH]2)cc1OC 1461785121 DCXGSYFMRXSULI-UHFFFAOYSA-N 445.339 1.975 30 10 IDEE C=CCN1CCC(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1464916796 KHDIEPFGRMPPBH-BPQIPLTHSA-N 441.594 1.423 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)s1 1469484367 MCJSXQLKZGGNFT-MAUKXSAKSA-N 428.576 1.581 30 10 IDEE C#CC1(O)CCN(C(=O)NC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)CC1 1469947486 CHOMMTAKCMOVJZ-OAHLLOKOSA-N 448.486 1.640 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1470227272 YOIRNZWEPLOZPE-KSFYIVLOSA-N 446.935 1.297 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)C1 1475667508 MCWDSEDJIGGJGM-PSLXWICFSA-N 434.381 1.838 30 10 IDEE CCN(CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1501887148 JFESNUXUYNFTIO-OAHLLOKOSA-N 449.581 1.712 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCO)CC1 1505144652 SEUUHBBRIYVSLE-UHFFFAOYSA-N 446.577 1.745 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1507538227 LCIQWOZUPJTNLG-AEFFLSMTSA-N 432.550 1.015 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1507634462 NLAVSLZUIWVDIU-LUKYLMHMSA-N 440.591 1.024 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507652516 JTIMHMOAHWNLID-INIZCTEOSA-N 447.511 1.501 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCCC1 1507982631 NSOUGMMENNHHHT-INIZCTEOSA-N 427.571 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508078158 VQUMXXZNQPDMCR-QZTJIDSGSA-N 427.505 1.170 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508082695 WKQXPYIJYZGIIV-AWEZNQCLSA-N 437.426 1.147 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCCCS(C)(=O)=O 1519428824 HGZURFQZJXMVLP-ROUUACIJSA-N 439.582 1.957 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1519450888 RBTNHLXCEHUTPF-JWWIWJDOSA-N 433.534 1.700 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)c1 1519510236 QNFNKGLDUULTCD-OXQOHEQNSA-N 449.508 1.596 30 10 IDEE C#C[C@H]1COCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1525109160 IRCLKOQLYCJOJS-OLZOCXBDSA-N 447.376 1.772 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539132313 HZNFHXNMXVZDIJ-KRWDZBQOSA-N 433.520 1.191 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2F)C1 1539147530 BEKYYSMXDIIRON-HOTGVXAUSA-N 434.541 1.623 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)COc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1539205007 DXDHYUWLPYNZJM-AEFFLSMTSA-N 432.546 1.937 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1539721605 CRHSZMVPZBZEAM-UHFFFAOYSA-N 445.568 1.491 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539736372 WQSBMGRVTWEJFT-UHFFFAOYSA-N 446.515 1.996 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1539803750 MWPLUWUXXITQAS-CFVMTHIKSA-N 433.962 1.225 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1540874725 PRVLLOSZJGVQQI-UHFFFAOYSA-N 437.504 1.090 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2)C1 1540882440 IOCCBGFOCJIQCQ-CRAIPNDOSA-N 435.550 1.727 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3CCCCCO)CC2)c1C#N 1543002188 RBXKPVFCXWWWCX-UHFFFAOYSA-N 437.552 1.686 30 10 IDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCS(C)(=O)=O 1543291798 WTEVKBKLXLEDGZ-UHFFFAOYSA-N 446.577 1.232 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)NC)CC2)no1 1546369211 CKFPHXFHUKOKRK-UHFFFAOYSA-N 434.504 1.967 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CCN1CCOC 1546731454 BGZWINFZVDWQET-LJQANCHMSA-N 435.536 1.541 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1555741511 UYJFEWQSILCODG-IKGGRYGDSA-N 437.566 1.567 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCOC[C@@H]2CCOC2)c1 1555987831 OHRJLIGALSFPIR-SFHVURJKSA-N 429.546 1.829 30 10 IDEE CC(C)(C)OC(=O)N(CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1558806526 SCNASWPOCOKVLH-UHFFFAOYSA-N 425.445 1.646 30 10 IDEE COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1560168816 UFOZAMJNEKIJNX-BTDLBPIBSA-N 446.312 1.589 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)c1 1585091149 YVHRTWDBXNZLKB-UHFFFAOYSA-N 449.467 1.973 30 10 IDEE C=C[C@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1585421449 GHQPTDCIKLLIKH-GFCCVEGCSA-N 430.299 1.412 30 10 IDEE CCCCn1c(CCC(=O)N2CCO[C@@](C)(C#N)C2)nc2c1c(O)nc(=O)n2CCCC 1585431585 GIPDSTZYDQDCQG-QFIPXVFZSA-N 444.536 1.972 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccc(O)cc3)CC2)s1 1587338379 WGHHJOASWKQQOR-UHFFFAOYSA-N 435.571 1.805 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588069161 IMCLLTNWRBKAOD-GOSISDBHSA-N 444.557 1.707 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1 1588214099 ICWDWCDFMWDKAV-UHFFFAOYSA-N 437.529 1.120 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 1588872050 WPPJAWHDBUBUCN-QHCPKHFHSA-N 441.532 1.426 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1589060229 PADKUYWROMZJLB-UWJYYQICSA-N 429.521 1.833 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1594498382 UMHVCXHWIKANKP-YESZJQIVSA-N 435.594 1.840 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)NC)C1 1595699805 HPUQQMHODDNDNC-MRXNPFEDSA-N 425.942 1.929 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1596813928 QDJHJZPBLNZKDA-UONOGXRCSA-N 434.522 1.426 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)CCOC1 1610894601 KHFQMGLRGATNCR-UGKGYDQZSA-N 432.569 1.658 30 10 IDEE C[C@@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CCO1 1611489631 QVIVUQGGYDCNPC-QGZVFWFLSA-N 448.328 1.769 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NC(C)C 1617268071 IDZXSGJNTPLXOV-OAHLLOKOSA-N 432.550 1.601 30 10 IDEE O=C([C@H]1COCCN1CC(F)F)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 1618072927 LNTRRVJNXLINTN-SECBINFHSA-N 429.336 1.997 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OC(F)F 1619279659 BMRUYXXJHISDOS-KGLIPLIRSA-N 448.430 1.616 30 10 IDEE CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1620163051 KZRCLIZEYKQMFE-OTWHNJEPSA-N 429.546 1.960 30 10 IDEE N#CC1(C[C@@H](O)CN2CCC(n3nncc3I)CC2)CCOCC1 1620421141 ASCAUJKBADJFKC-CQSZACIVSA-N 445.305 1.591 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1620656044 BHJNXYJWGDDZCD-OAHLLOKOSA-N 441.351 1.297 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1626364454 NQKRNOMBIHSGFF-RXYDEIHYSA-N 442.578 1.754 30 10 IDEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1628543673 XLYVDQQKEXJYJE-KBMXLJTQSA-N 439.331 1.275 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1 1630461984 MOLHIQKIJQICGN-QGZVFWFLSA-N 427.567 1.567 30 10 IDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1632328718 SFZSDDPMNOTBNR-NYHFZMIOSA-N 427.480 1.847 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)Cc1ccc(O)cc1 1632570927 KIQNLJSOTLJINO-QGZVFWFLSA-N 445.541 1.711 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](c2ccccc2)[C@H](CO)C1 1632691408 FYIVAPQGOAMTCN-ZWKOTPCHSA-N 427.526 1.740 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)c(OC)c1OC 1635061556 GAJWLHYIINXAIF-UHFFFAOYSA-N 439.472 1.376 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2CCS(=O)(=O)CC2)C1 1637944283 MARGWHOWYBQDDM-UHFFFAOYSA-N 426.336 1.698 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1coc(CN(C)C)n1 1639455172 ZKMOGAOTQDWBKC-MRXNPFEDSA-N 433.534 1.506 30 10 IDEE CN(C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1CN(C)C 1642669714 MFTNFIXTJPPVGR-KZNAEPCWSA-N 431.968 1.762 30 10 IDEE C=CCOCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1651151900 CGFUPOFJBGYION-UHFFFAOYSA-N 431.474 1.792 30 10 IDEE Cn1c(NCc2cc(Br)cc(Br)c2N)c(C#N)c(=O)n(C)c1=O 1651436014 DBTUGCGGVVCWIN-UHFFFAOYSA-N 443.099 1.675 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1653053583 LFUQDEYTQGCGIL-LFDOHDQPSA-N 440.566 1.267 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)nn1 1664906977 LMCCFRZIPQPMLW-UHFFFAOYSA-N 431.515 1.622 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1666933724 OXEDJFVZZSDMDC-AWEZNQCLSA-N 429.926 1.911 30 10 IDEE C#CCN(C)CCCNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1672100831 PFFFCZREUNZZSQ-MRXNPFEDSA-N 449.518 1.724 30 10 IDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689977791 CWALCLAHZKGGRJ-NVXWUHKLSA-N 435.594 1.869 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCCCO2)CC1 1690131957 BNAXUQCZSUYCAY-SFHVURJKSA-N 442.589 1.984 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1690175158 QQIJQOMIHKUCAD-QGZVFWFLSA-N 448.618 1.664 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690715706 RYDINUTYXXQWSG-CYBMUJFWSA-N 437.488 1.507 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690727241 XXRUEHSYCVVQOF-GOSISDBHSA-N 445.589 1.721 30 10 IDEE CC(C)(C)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)on1 1691116732 UYBNPFFOUMVJBL-OAHLLOKOSA-N 436.476 1.988 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1692659253 DVGLPIZLKYNECY-AWEZNQCLSA-N 428.522 1.623 30 10 IDEE CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1696133697 FKZHPZCVTDCZPM-WMZOPIPTSA-N 431.518 1.356 30 10 IDEE CN(C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1696753943 KKCJWYXJGRVZJD-HOTGVXAUSA-N 448.549 1.403 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697695313 DNXMAUGGJWFJFB-HKUYNNGSSA-N 442.568 1.693 30 10 IDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1697973024 YXTJCUWSULBVHL-INIZCTEOSA-N 432.550 1.713 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705562360 ATIUYDHRAFFENM-MRXNPFEDSA-N 448.545 1.360 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN1CCc2ccccc2C1 1705600927 QHSFMDGVKAWUJS-UHFFFAOYSA-N 430.556 1.922 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC2(C1)OCCO2 1705630539 WUIHFQKPENAJOA-IBGZPJMESA-N 428.537 1.769 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCS(C)(=O)=O)CC1 1705643706 PTEMPQRBPVWZMP-UHFFFAOYSA-N 449.602 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)O)CC1 1705653108 ZGGASBNBCJUNAR-QZTJIDSGSA-N 431.581 1.933 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC[C@H]1C 1705716526 NPMSLFMUNRURRP-SQNIBIBYSA-N 441.598 1.686 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1705805545 JNHHOOAUJQUUOG-SJORKVTESA-N 427.571 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1705939526 ZACPFUWSOWWGFG-FRQCXROJSA-N 444.623 1.861 30 10 IDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1706032956 IBSWRUAVTAPKCC-GOSISDBHSA-N 437.504 1.112 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1708152589 GFTZNMYNWZDDMV-YVHKJVDXSA-N 440.552 1.566 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNS(=O)(=O)CC 1708478678 WQFZOHQFLDLSCC-ZDUSSCGKSA-N 433.538 1.266 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1722293297 CFYLFNOVAOWKMN-MSOLQXFVSA-N 435.594 1.283 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722310473 LVGDGSKPJSIXSI-KRWDZBQOSA-N 442.545 1.366 30 10 IDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1722364899 JNHMAPGRZWQCBC-SFHVURJKSA-N 442.545 1.180 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1F 1722420365 GEXFPMCSJATYTO-CYBMUJFWSA-N 427.477 1.301 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1722429313 POJNVNWXBVVDIB-GOSISDBHSA-N 435.594 1.141 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722458662 PWFBAPZXHWTVMO-QGZVFWFLSA-N 429.550 1.214 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722534906 ZLOWJSCESMGXHG-KDURUIRLSA-N 426.521 1.959 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1723076873 JDJDQCGZQBBNAQ-HXUWFJFHSA-N 431.472 1.610 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H]1C 1729791757 MHEHMWWLMKWQRX-AWEZNQCLSA-N 432.506 1.138 30 10 IDEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1730570630 WPFGIEBGPOVUHW-SFHVURJKSA-N 437.504 1.668 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@H]1C 1740537412 DAHZURALSUXXLJ-WDUKFBBWSA-N 446.577 1.544 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1740550149 HTQXLCRQTSAYFA-JKSUJKDBSA-N 425.555 1.028 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740581683 DFUHAKUMNDJYAK-SJLPKXTDSA-N 427.530 1.477 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1740626592 MFBQKAVIMJLMJG-HZPDHXFCSA-N 435.575 1.416 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1740627471 QREAEZALONJJOG-OAGGEKHMSA-N 444.504 1.571 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1740630110 FMPUHPHHZNFUQO-SFHVURJKSA-N 439.541 1.336 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1740669223 RQIDMOPASZUDAP-KRWDZBQOSA-N 435.532 1.372 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](COC)OC)CC1 1740699476 IOKYZKONUBTFAJ-HXUWFJFHSA-N 427.549 1.891 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCO[C@H](C)C2)CC1 1740700913 NCYMETJOJMDJEM-MSOLQXFVSA-N 444.580 1.587 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)C1 1740972472 JAKZPVAFPLZTTK-XYJFISCASA-N 438.598 1.154 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1741000910 IAHWTZMEKWWEKU-MRXNPFEDSA-N 435.598 1.732 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1748672627 VVXOMPVSCHQZRK-GUYCJALGSA-N 439.488 1.395 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(C)CCCO2)c1 1748693007 VFFONPFAKKGKPQ-FDDCHVKYSA-N 436.516 1.855 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1748809234 LBWMYWOERMTBKQ-LJQANCHMSA-N 445.614 1.621 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1748847140 OXZVEDBFWGQMRU-SFHVURJKSA-N 447.605 1.142 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)CC1 1748977833 KGWYULIWSGSFMI-WZONZLPQSA-N 442.539 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCC(=O)N(C)C)CC1 1749009393 QRKQCMJVBJSTBL-UHFFFAOYSA-N 437.548 1.483 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749048761 VKYBLGNQNUVPCM-UHFFFAOYSA-N 431.566 1.615 30 10 IDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCOCC1 1749573494 DRSANKRBFRHETJ-UHFFFAOYSA-N 428.493 1.433 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC=CCC2)C1 1750209399 GEEKDERSNZENBX-ZWKOTPCHSA-N 434.566 1.707 30 10 IDEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1751147887 DASUNDYZRQEKQR-GOSISDBHSA-N 431.548 1.807 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189357 IFEZNQSBHDOECD-KNQAVFIVSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1760190026 XICRVZHWGPWHIC-ZWKOTPCHSA-N 438.594 1.740 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1760192447 UOUNWRFUJUFPOG-QYZOEREBSA-N 448.568 1.905 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760276643 KRECGCGAKOUWDF-UHFFFAOYSA-N 444.561 1.386 30 10 IDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1 1760340640 IGBBRUJDYOLPGS-UHFFFAOYSA-N 446.577 1.921 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760428576 YZJGAYJSYIVLPH-RDJZCZTQSA-N 436.582 1.577 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1Cc2ccccc2O1 1760464275 DMZPCOXFGBWNMP-FUHWJXTLSA-N 433.534 1.237 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1764913630 CPIHPIGSDHVKRU-KRWDZBQOSA-N 428.562 1.864 30 10 IDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1849167479 NUNKTMSJNKEZPX-APWZRJJASA-N 435.546 1.341 30 10 IDEE N#Cc1ccc(C(=O)COCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1851361165 FGKZUWAYUFIWFV-UHFFFAOYSA-N 431.489 1.903 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl)[C@H]1CCN(C)C1=O 1852960004 OBBMCMYKSCDLGL-JKSUJKDBSA-N 425.938 1.738 30 10 IDEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)c1 1854789314 LHGSJKWKDOMRMH-UHFFFAOYSA-N 426.498 1.855 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C3CCN(CCC#N)CC3)CC2=O)cc1 1856171986 PJBMLGATOYGTRH-SFHVURJKSA-N 432.546 1.551 30 10 IDEE C=CCN1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C(=O)C12CCCC2 1856287981 MDGMZXCZFLONRB-OAHLLOKOSA-N 431.514 1.389 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 1858320107 JHJNFKXDKWFORQ-AWEZNQCLSA-N 435.483 1.028 30 10 IDEE COc1cc(C)c(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1858337215 XYYWCDJMSOKEJH-KRWDZBQOSA-N 449.554 1.925 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868610483 CUTKLNOOKPESNJ-MRXNPFEDSA-N 426.517 1.553 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCN(CCO)CC1 1870505329 SOLJLMBHYYEBET-UHFFFAOYSA-N 446.592 1.314 30 10 IDEE CCCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(C#N)c(F)c4)CC3)nn2)CC1 1890265859 YCJIVBOQRYYZTO-UHFFFAOYSA-N 437.523 1.982 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 2009980222 SIKAOLWBVFORTI-LHSJRXKWSA-N 439.509 1.874 30 10 IDEE C=C(CNC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O)B1OC(C)(C)C(C)(C)O1 2020862364 PPJRMGQMNZYIKJ-JLTOFOAXSA-N 426.319 1.023 30 10 IDEE C=CCn1ncc(NC2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2106025845 NASRUYGPUOAUIQ-UHFFFAOYSA-N 429.271 1.678 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2128735151 VUHIHJQDFPYQDX-MSOLQXFVSA-N 446.353 1.972 30 10 IDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243675869 BMDDRYNVJQAVSM-NSHDSACASA-N 427.332 1.921 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247954420 YNKNFFIZOYTNIY-CABCVRRESA-N 439.343 1.325 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255603886 BBYIYXWHWSNVQK-CHWSQXEVSA-N 435.334 1.100 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255713205 XUWJIHQUJPGQQI-ZFWWWQNUSA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(F)(F)F 2255826026 JGAUSWZCVKEXDG-NSHDSACASA-N 448.251 1.894 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@H]1OCc1ccccc1 2255950977 XHDVOFJKDCMVKJ-IAGOWNOFSA-N 447.366 1.745 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256626764 NURDLAKARCQEGS-HUUCEWRRSA-N 433.314 1.690 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267115841 LWKCTLCGLXALRD-KBPBESRZSA-N 447.345 1.338 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129289 ZGEPMNWNFVAPKV-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE COC1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2267260267 LSUQAIDLQVJURP-UHFFFAOYSA-N 447.341 1.747 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1 2267266666 RBYGZPAVQGVWOF-SFHVURJKSA-N 439.369 1.756 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@@]1(C)CCN1C(=O)OC(C)(C)C 2267280859 RHTGPFSQBGUZMG-NRFANRHFSA-N 449.361 1.634 30 10 IDEE C#CCN(C1CCNCC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364278799 BZMGNXOKQBXHCM-UHFFFAOYSA-N 431.558 1.860 30 10 IDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2367830039 FSVHKOAPLGPNCR-UGKGYDQZSA-N 434.558 1.709 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)CC1 27559290 HVXJVKGHERRVNN-HNNXBMFYSA-N 448.589 1.518 30 10 IDEE N#Cc1ccccc1[C@@H]1N[C@](CC(=O)O)(C(=O)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 247637374 FEBOXQZYFXIFEO-FDGPYGQJSA-N 447.447 1.345 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C1CCC1 430979442 VIWLPPOCMPEUTI-UHFFFAOYSA-N 441.553 1.526 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447267288 MTTQBHJKCXKKPW-UHFFFAOYSA-N 430.480 1.743 30 10 IDEE COc1cc(CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)ccc1C#N 460595060 DJYPLRDDOIXGIM-UHFFFAOYSA-N 438.303 1.924 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465498937 WNBUPDYTDCYJQY-CQSZACIVSA-N 435.531 1.041 30 10 IDEE N#Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 466103624 NUFDESYCXINZMQ-UHFFFAOYSA-N 428.514 1.794 30 10 IDEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 476633901 DEDXFNGVUCVRNY-LLVKDONJSA-N 429.424 1.919 30 10 IDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 478753802 GXFOAOMVTCAASA-INIZCTEOSA-N 443.544 1.818 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 479910273 MAUMYZTYUSGKEU-INIZCTEOSA-N 440.525 1.646 30 10 IDEE CC(C)(C)NC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(C#N)s2)c1=O 484423614 GGSBMZNHEFXZCL-UHFFFAOYSA-N 431.583 1.982 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503641780 FPQDFCUYIWTIPO-UHFFFAOYSA-N 448.545 1.458 30 10 IDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 511412826 WSWFEOXSUYEGIG-GOSISDBHSA-N 428.518 1.596 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(-c2ccc(F)cc2)c1=O 512767793 UVNRKDYXMFYBAK-UHFFFAOYSA-N 439.516 1.530 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)c1 539598410 INAHNKHYXRBOOE-MRXNPFEDSA-N 441.553 1.919 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@H](C)O1 540784033 JQXSTVHUGJEMIE-IRXDYDNUSA-N 432.546 1.354 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543655797 CHHQQOXMTCPNEC-UHFFFAOYSA-N 428.514 1.954 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCCC1 546092176 GPYMUBNOSYIJHC-UHFFFAOYSA-N 437.547 1.283 30 10 IDEE CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546877149 PAEIVTWDXADJNE-MRXNPFEDSA-N 427.530 1.992 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2)c2ccccc2c1=O 558925977 LFNIKDQZBMMSDM-KRWDZBQOSA-N 427.468 1.969 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CCS1(=O)=O 559172100 HYERHUIRDYXBKI-KRWDZBQOSA-N 445.545 1.779 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 572446536 ZQVRMDRLEOJGGS-PMPSAXMXSA-N 429.612 1.907 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccccc1C 603800089 SRJGWRDDDUNIPC-UHFFFAOYSA-N 439.562 1.843 30 10 IDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCCO)c1 703972507 DZLBUVFRRKBZFR-INIZCTEOSA-N 426.494 1.697 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)[C@@H]1CCS(=O)(=O)C1 729331327 BNWUYKFJIRHZST-UONOGXRCSA-N 439.331 1.451 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1Cc1ccccc1 735068429 AWULYUZIFGPQJS-UHFFFAOYSA-N 449.580 1.984 30 10 IDEE CN(C)c1ccc(N2CCC(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 745812973 GZCAYPQGUIYCHX-MRCUWXFGSA-N 426.521 1.547 30 10 IDEE CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 755623537 CJDLYHXRPKQZLJ-HNNXBMFYSA-N 442.585 1.675 30 10 IDEE C#CCn1c(=C(C#N)C(=O)Nc2c(CC)cccc2CC)sc(=Cc2ccnn2C)c1=O 758050011 BGKYDFACSRQIFB-UHFFFAOYSA-N 445.548 1.543 30 10 IDEE O=C1C[C@H]([C@@H]2CCCCN2C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CN1 765286136 LQQQBZYGNLPDOC-WMZOPIPTSA-N 446.573 1.803 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 767674908 HEEJWNIAZNJDLJ-JSGCOSHPSA-N 447.435 1.569 30 10 IDEE C[C@@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F)C(=O)N(C)CCC#N 768665822 QRTYHOMWPSDQOT-MRVPVSSYSA-N 430.305 1.830 30 10 IDEE COC(=O)C1CCN(C(=O)CON=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 769842263 LHYLHFDEYUXKFV-UHFFFAOYSA-N 448.520 1.760 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 770965826 NVXVEZNCBQRYQL-WFASDCNBSA-N 430.452 1.571 30 10 IDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OCCN2CCCC2)cc1 771448201 TXGNCVNLTKDFKX-UHFFFAOYSA-N 442.541 1.863 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(I)c(F)cc2F)CC1 772078537 AWECWAJAXOFBLQ-UHFFFAOYSA-N 447.223 1.077 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)C(=O)C1 777394332 ZXHONPWNNAJBCD-QUCCMNQESA-N 442.516 1.662 30 10 IDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1cccc(C#N)c1 779195460 YCROPORASHNQDQ-GOSISDBHSA-N 431.470 1.695 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C(CC)(CC)C2)ccc1F 779360633 JWEOIQWWLQFIFY-UHFFFAOYSA-N 432.539 1.719 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCN1CCNC(=O)C1 781103247 OVRIBBXXSPQUPO-KRWDZBQOSA-N 429.546 1.027 30 10 IDEE C#CCN(C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CCS(=O)(=O)C1 786969367 UJGHHVQCQDNEIP-WMZOPIPTSA-N 439.484 1.288 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccsc1 790427712 LADWELBIJWLUTC-UHFFFAOYSA-N 435.534 1.636 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 797841583 NOXIXPGYNWPDEU-IAQYHMDHSA-N 440.490 1.919 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)o1 803924758 WFQDIORIGSZLPZ-UHFFFAOYSA-N 437.431 1.789 30 10 IDEE COC(=O)/C=C\c1ccc(OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1 863861516 ZWUNIDLLBLTEJN-NTMALXAHSA-N 430.438 1.526 30 10 IDEE CC(=O)N1CCN(C(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)CC1 918022440 QAQOVTAHUZEANQ-UHFFFAOYSA-N 446.407 1.004 30 10 IDEE Cn1c(=O)c2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)sc2n(C)c1=O 1127911243 AQGZMGKSZDSWNY-HNNXBMFYSA-N 437.481 1.096 30 10 IDEE Cn1nccc1[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C 1144749688 QMUWPCVPAXQGPK-SFHVURJKSA-N 432.502 1.406 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)CC1 1171724711 ZGGUESQPINXTBX-HJOGWXRNSA-N 439.604 1.654 30 10 IDEE C[C@@]1(c2cccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c2)NC(=O)NC1=O 1184272106 AWXKZUOSBHYDCI-QFIPXVFZSA-N 436.424 1.259 30 10 IDEE Cc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1NS(C)(=O)=O 1184273986 ZMORNJBGUSHIOE-UHFFFAOYSA-N 431.470 1.884 30 10 IDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc(OC)c1 1196150045 MXCGALDGPHREND-NQIIRXRSSA-N 442.541 1.969 30 10 IDEE CS(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1211952920 BDQLNUOPGLEFMI-VIFPVBQESA-N 425.301 1.515 30 10 IDEE C#C[C@@H](NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1CCCO1 1234625677 HIUBVBUSYZMGFR-YADHBBJMSA-N 426.561 1.838 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286310969 BFHUFYRHTHJNKP-GOSISDBHSA-N 447.547 1.694 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286388746 BKCGVYYCSWPSEU-SFHVURJKSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1286390017 VFKCKLANMBMUDC-OALUTQOASA-N 441.557 1.521 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286398509 YDPMEJWFODICLX-AEFFLSMTSA-N 443.529 1.390 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)CN2CCOCC2)CC1 1286473391 LIFBOPPWZNVEFZ-HXUWFJFHSA-N 438.576 1.677 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCNC(C)=O)CC1 1286479903 PTPOMJUYPCZETP-UHFFFAOYSA-N 433.516 1.882 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1286480916 QYPWKPHAQHNRNZ-RTBURBONSA-N 444.580 1.937 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCS2(=O)=O)C1 1286806064 ABAJBVZBWGQXDG-IBGZPJMESA-N 449.552 1.825 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286816271 DXFKSXYOKIHRDP-HNNXBMFYSA-N 447.627 1.253 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286822485 DWQZCNVLAWAIOK-KRWDZBQOSA-N 447.561 1.433 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1286831126 UTWORIFFNBXJCI-UHFFFAOYSA-N 441.561 1.684 30 10 IDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1287989302 VKLPTJGDALSGQL-UHFFFAOYSA-N 435.502 1.205 30 10 IDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290864478 VQTUXZHUBDQGTG-QZQOTICOSA-N 432.488 1.311 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1292177016 WUIXUJCKISHZQP-IAGOWNOFSA-N 447.561 1.884 30 10 IDEE CCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1297582607 PGHCQUFFXRXACL-QGZVFWFLSA-N 433.520 1.677 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)c1 1298789322 UIMGGTZHYHEAFM-CQSZACIVSA-N 433.461 1.863 30 10 IDEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cnnn2)cc1 1300119117 NKBFDXDSONSDON-HXUWFJFHSA-N 425.472 1.591 30 10 IDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1300393153 SFLMUWDHCWECLV-FQEVSTJZSA-N 431.514 1.597 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCOCC1CCOCC1 1300531864 IGLMLVYTQFNSHC-UHFFFAOYSA-N 439.516 1.912 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCN(CC)C2)CC1 1300709805 GWQMCYRBZQHAJM-FQEVSTJZSA-N 438.576 1.963 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1300989385 APMHQTYCJPJKIK-QGZVFWFLSA-N 439.538 1.433 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301054467 ZVWCLVBAKOVIHF-KRWDZBQOSA-N 439.499 1.565 30 10 IDEE COCc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1301167253 HHFYWOVIAFFEDY-GOSISDBHSA-N 433.472 1.849 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1301500622 NXBKZSYNYWXBCF-HNNXBMFYSA-N 430.475 1.896 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301502392 HETPRGBUIGOYIY-NRFANRHFSA-N 430.459 1.166 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCCO)CCN1C1CC1 1303001883 MSDWLLVDRJAWQW-SFHVURJKSA-N 438.536 1.655 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)n1 1309465045 SYXOMXPCCVKSFS-UHFFFAOYSA-N 444.435 1.854 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)CC1 1312422953 OFWVQCOFULJDEH-FQEVSTJZSA-N 427.530 1.274 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)C(F)(F)F)CC1 1312583680 YCWLBDBSHVUYLQ-KSSFIOAISA-N 449.474 1.794 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CCOCC2)C1 1316528468 XHNRUXBMUGDXPX-NRFANRHFSA-N 442.499 1.480 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358959453 JESSUYYWLOTGRP-UGKGYDQZSA-N 439.541 1.604 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1358960673 JJDFECSQXVKASN-QGZVFWFLSA-N 425.518 1.057 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1358977933 AERNVVACYNNTAM-MRXNPFEDSA-N 433.559 1.203 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1359027415 IRBOFYUVVGVDSU-CALCHBBNSA-N 448.568 1.659 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CC2)CC1 1359042656 OROWOPLKUWXIPP-UHFFFAOYSA-N 439.516 1.453 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359061701 JZNZJLHITQVLQL-UEXGIBASSA-N 438.594 1.925 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OCC)CC1 1359297246 KDGLZFJJTZYAKW-UHFFFAOYSA-N 428.493 1.534 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)CC1CCOCC1 1359335071 ZHBWXMPLKAWZHT-UHFFFAOYSA-N 436.582 1.603 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)Nc2cccc(C#N)c2Br)[C@H]1c1ccnn1C 1436898259 KBKSCFMSOCBJSP-SJORKVTESA-N 432.278 1.981 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)CC1 1443356958 LTUPRVYERHNGCL-HNNXBMFYSA-N 426.439 1.617 30 10 IDEE C[C@H](CC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1454054029 QFEVELKVAZSZKK-BMIGLBTASA-N 441.431 1.771 30 10 IDEE C#CCN1CCC(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1455942942 JDKICJAMHQWCHF-DEOSSOPVSA-N 444.535 1.714 30 10 IDEE COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1456613718 DXPVHJGOCURZKY-WCYJSBMESA-N 447.513 1.309 30 10 IDEE O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N(O)CCCN1C(=O)c2ccccc2C1=O 1458003517 QEUBXCJXIGJHDA-CHWSQXEVSA-N 434.392 1.114 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1461047029 URJWGRSTFXCELH-WMZOPIPTSA-N 438.546 1.812 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(N4CCNC4=O)cc3)C2=O)cc1 1462455214 UTMPEZHARRVGCP-LJQANCHMSA-N 446.467 1.609 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC(=O)N2C)cc1 1462987394 FMNUGWWESMQYKW-RWCSOYMTSA-N 431.514 1.001 30 10 IDEE CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1466254761 MMLDJQODVMNFTF-OXQOHEQNSA-N 438.532 1.673 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 1471450482 AXFMKKGJEOZIHZ-UHFFFAOYSA-N 449.964 1.427 30 10 IDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)OCC 1475579100 OQCUBXFUKODHSL-NSHDSACASA-N 425.290 1.557 30 10 IDEE C#CCN(C(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl)[C@H]1CCS(=O)(=O)C1 1477072592 BMNNDJCQQOMCGN-LBPRGKRZSA-N 441.893 1.739 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCCO1 1497056041 MMTWAFWCXXNTMQ-MOPGFXCFSA-N 429.569 1.942 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(F)(F)F)CCN2C1=O 1502215609 WZWSZPRWXXYRNL-CQSZACIVSA-N 433.394 1.852 30 10 IDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1504661159 ZACCSCOODYWQPC-UHFFFAOYSA-N 437.460 1.888 30 10 IDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCOCC2)C1 1505136203 ANGFMEIFOLRIKA-QGZVFWFLSA-N 430.534 1.325 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507564253 NUOZVBYXDOCMME-SFHVURJKSA-N 429.546 1.719 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507652611 JPOOVCZZLNRUOC-SFTDATJTSA-N 432.528 1.203 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1507703828 GHEIPVVJQDNMDM-QFIPXVFZSA-N 443.552 1.382 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1507819648 UPCUISQFZYOLDR-SFHVURJKSA-N 425.537 1.912 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507952638 WZDBAROXBRWIRO-UYAOXDASSA-N 443.596 1.356 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1507957210 MHQCUBLFHXYJQD-UHFFFAOYSA-N 449.519 1.635 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1508022355 XBBUMWXUVQUOAO-KRWDZBQOSA-N 439.582 1.749 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)CC1 1508072638 DUTSQHBJEYQSFY-UHFFFAOYSA-N 443.861 1.980 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1508078943 LSJWOYPGMQZUAM-KRWDZBQOSA-N 428.518 1.132 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508084890 CZLLFKKWCUKMNJ-SFHVURJKSA-N 439.564 1.640 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508095629 YTFKZQMWNHKHJN-HSZRJFAPSA-N 438.532 1.581 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1508148370 SHQBOUYICRAYTL-GOSISDBHSA-N 447.561 1.726 30 10 IDEE C=CCSCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508169005 WMZFSANPFZDCGS-UHFFFAOYSA-N 436.582 1.005 30 10 IDEE COc1ccccc1-c1nnc(N(C)[C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1518423067 XBRBGMVTVZVNHU-DSGGYQJVSA-N 438.488 1.705 30 10 IDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 1523978819 AWRPSBSBWMRLKW-UHFFFAOYSA-N 436.516 1.928 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1532777469 SWKOWKANYOEWKP-WBVHZDCISA-N 435.502 1.229 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)c4ccc(C#N)nc4)CC3)[C@@H]2C1 1533095536 FMTSULUUVTUVDZ-MSOLQXFVSA-N 441.488 1.998 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(F)cc3I)C[C@H]1CS(=O)(=O)C2 1538539314 DBLRCZICHHUYMU-XPTSAGLGSA-N 434.230 1.441 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539263705 OGDALPHLZNOATB-AABGKKOBSA-N 439.539 1.591 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1539297091 ZBRBMGWINMBADB-QGZVFWFLSA-N 429.546 1.717 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCCC1(C)C 1539370597 XVUVCTSNNQXREF-UZLBHIALSA-N 439.582 1.012 30 10 IDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1539447466 SEEQMAVFWUGFGS-OAQYLSRUSA-N 427.641 1.965 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@H]2C)CC1 1539461718 JJJUVODUNCXABX-LJQANCHMSA-N 442.539 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCOC2=O)CC1 1539470156 KYKAJPRSVCQPEO-UHFFFAOYSA-N 440.504 1.655 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2COCCO2)CC1 1539484593 VXTHLWWLOYFBHQ-SFHVURJKSA-N 429.546 1.312 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C 1539668820 GQRBLDLAAVMPKH-KRWDZBQOSA-N 437.570 1.104 30 10 IDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCS(=O)(=O)CC1 1540051757 MSFNZJNDOMBYMD-UHFFFAOYSA-N 442.545 1.897 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540907002 IZCNOCFQKGIOLW-AWEZNQCLSA-N 435.516 1.904 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)CCCO2 1541928212 XWGODWCLHSUWRP-XOBRGWDASA-N 448.524 1.704 30 10 IDEE CN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1552935711 RWIPELRXTBJDGE-UHFFFAOYSA-N 444.521 1.052 30 10 IDEE CN(C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1554124604 BQNIAIQTUXIBEP-SFHVURJKSA-N 448.549 1.893 30 10 IDEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554690735 ODYPXJUPBKSQIZ-VDVXRXHMSA-N 444.536 1.704 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(-c2nc[nH]n2)cc1 1555557058 NMCZGAVKHSDETI-UHFFFAOYSA-N 430.476 1.935 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)c1 1556801010 SMEFRKUNGSLUBS-LJQANCHMSA-N 429.473 1.696 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@@H]2C(=O)NCC23CCOCC3)n(-c2cccc(F)c2)c1C 1560176355 WKJMADKSFXCATO-HXUWFJFHSA-N 439.491 1.928 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(OC)CCOC1 1587568952 TZIONXIHZCGWMR-QVKFZJNVSA-N 446.577 1.810 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1587808454 RURQPNXFQATEMJ-IAGOWNOFSA-N 438.598 1.290 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588039627 AVHQYENENCWGKI-YRVHBCJASA-N 445.570 1.212 30 10 IDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)OC)CC1 1588750235 BZAPDAOCCCQMOX-INIZCTEOSA-N 445.593 1.337 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H]1CSC 1595507135 XJURLTBINBMKTH-QGZVFWFLSA-N 439.549 1.555 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595556168 PWJQVIKZCVBYQR-CVEARBPZSA-N 431.880 1.939 30 10 IDEE CC(C)CN(C[C@@H](O)COc1ccccc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1616229863 AMVMBKTYRRLJRL-QGZVFWFLSA-N 429.521 1.961 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCOC1 1617781222 ZFNURXLCVVODRA-GOSISDBHSA-N 445.545 1.779 30 10 IDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(Br)c1OC 1618171567 CIWODAYOWJAUIO-MEDUHNTESA-N 429.292 1.477 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1618236896 SUGHTZGDXZGTNG-CABCVRRESA-N 432.326 1.480 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1618236900 SUGHTZGDXZGTNG-HUUCEWRRSA-N 432.326 1.480 30 10 IDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOCC1(C)C 1619399392 BGUVVSIGCZRQSN-KRWDZBQOSA-N 426.521 1.793 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)C1 1620054258 GQOCTYIWOKEYHL-GHTZIAJQSA-N 440.548 1.779 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2OCCOCC)CC1 1622992230 OZGPVLRKGLDADE-UHFFFAOYSA-N 444.941 1.372 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c([N+](=O)[O-])c1 1623730306 LGFCCXOSMJXQTR-UHFFFAOYSA-N 432.433 1.971 30 10 IDEE Cc1nnc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)CC2)n1C 1628168525 UORUKXCOBFJQHU-JQHMZKTJSA-N 443.552 1.559 30 10 IDEE C#CCN1CCC(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1634986517 OPZCUPUEERTVOU-LJQANCHMSA-N 430.524 1.240 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1636714587 DNTMBFFPSQSIST-RDJZCZTQSA-N 445.520 1.849 30 10 IDEE CC(C)O[C@]1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 1638972231 BQLVDSWIINOYRF-NRFANRHFSA-N 437.562 1.986 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](O)[C@H]1CCc1ccccc1)c1cc[nH]n1 1640092029 JWBYAGKYQFGYQK-RTBURBONSA-N 428.489 1.678 30 10 IDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1640118276 GPDZESYCTFJVQI-RDJZCZTQSA-N 443.525 1.794 30 10 IDEE C=CCCONC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1641570273 BXEUVEPOUHUWDC-CQSZACIVSA-N 433.324 1.606 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)B(O)OCC2 1642941874 SCMZKTCGBXQIDX-SFHVURJKSA-N 441.318 1.183 30 10 IDEE COC(=O)[C@]1(OC)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1643878451 PAMMFCIHHFAUNU-HJPURHCSSA-N 444.532 1.620 30 10 IDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1655060905 JHCVLUKLQZVPOL-HXUWFJFHSA-N 438.576 1.493 30 10 IDEE C#CCn1cc(CNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)cn1 1655956364 LXDISSWPAXHABM-LJQANCHMSA-N 430.530 1.985 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1660343772 ZANCSXVPXWRJPR-SFHVURJKSA-N 442.516 1.516 30 10 IDEE Cn1cc([C@@H]2CN(S(=O)(=O)c3cccnc3C#N)C[C@H]2NC(=O)OC(C)(C)C)cn1 1662657581 CNZBSKXOAIXKIX-GOEBONIOSA-N 432.506 1.368 30 10 IDEE CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1662835680 BPNBHSXTJOKCRN-LJQANCHMSA-N 434.562 1.632 30 10 IDEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)C1CCOCC1 1663235947 SWLGLRKLWATJEP-XUVXKRRUSA-N 436.530 1.370 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C(=O)OC)cc1Br 1666340744 YTNYIVMESKGUHS-UHFFFAOYSA-N 429.336 1.954 30 10 IDEE N#Cc1cn(CCNC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(=O)nc1O 1666964637 CPJCHZDHWXWOTE-UHFFFAOYSA-N 432.431 1.063 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1671820272 PDOUYJWKBFJSFF-NRTGNBEESA-N 426.539 1.402 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 1680909826 OUIDDOZVBGQIGF-KRWDZBQOSA-N 425.526 1.854 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)cn1 1684684139 GMJSXWVZVWTUMH-UHFFFAOYSA-N 428.518 1.065 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689983386 APGNGVLPRPSKIJ-MRXNPFEDSA-N 449.964 1.925 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689996746 NLTOHGZBYTYDEQ-SFHVURJKSA-N 432.546 1.693 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cncn2)nc1 1690030094 OEOSAOLMWQYFNI-ICSRJNTNSA-N 432.488 1.099 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CCOC 1690039583 LDOOPOGEGMDEMI-JOCHJYFZSA-N 434.504 1.171 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1690124265 IEZCNVURWNQMGN-QGZVFWFLSA-N 442.530 1.885 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690508514 KHJQLZQUUBNPAD-QVKFZJNVSA-N 432.525 1.189 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1690993306 HZUMHRVLXXSMDF-SOLBZPMBSA-N 439.630 1.995 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1)S(C)(=O)=O 1691015774 GAXBHVBPIUYEIM-KGLIPLIRSA-N 428.522 1.251 30 10 IDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1692493960 AFNLQSYEQHRDHU-JPYJTQIMSA-N 440.548 1.799 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1697189991 IXUFZRXIRRULGO-KBPBESRZSA-N 426.468 1.798 30 10 IDEE COCCN1C[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CC1=O 1698077516 BVPUBMNDSYNHIF-SFHVURJKSA-N 443.552 1.025 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1705490176 DGLZWBAYPFLRBZ-HNNXBMFYSA-N 442.545 1.738 30 10 IDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 1705509422 IOZREDWHKRHENQ-UHFFFAOYSA-N 444.561 1.325 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1705585728 JGNJJWUTWKUUAN-FCQUAONHSA-N 444.495 1.765 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705753835 JYNGTDUNYHUSSA-KFKAGJAMSA-N 436.988 1.913 30 10 IDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCN(C)C1 1705874658 SQLBIPZQOKZGGH-QHCPKHFHSA-N 438.580 1.697 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccco2)C1 1705932797 ZZDRSMUDJPHDAX-QGZVFWFLSA-N 432.506 1.450 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1709829947 HGOIRNBIVURFIL-LPHOPBHVSA-N 426.521 1.973 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCS(=O)(=O)Cc2ccccc2)CCO1 1712886370 QSBOQBLDRVFWFA-RTBURBONSA-N 445.545 1.863 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722304467 XVARWVSCEPBYKY-IAGOWNOFSA-N 429.496 1.949 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1722317929 YQWOBVHQMKWTBP-KRWDZBQOSA-N 425.555 1.725 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2 1722370126 GXHHXXYAFCNMQS-UHFFFAOYSA-N 445.426 1.868 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722438154 NDZBNTMHXRHNHX-SFHVURJKSA-N 428.562 1.371 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1722694364 UBWBXXHJSLHOOA-ZDUSSCGKSA-N 449.353 1.828 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722729508 MROAOEJHMCJLOT-QGZVFWFLSA-N 433.534 1.254 30 10 IDEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)n1 1724482967 AIBQJHAZTGEIQA-UHFFFAOYSA-N 444.561 1.718 30 10 IDEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1728630260 HMODYISTUUMDQB-OAQYLSRUSA-N 429.548 1.538 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1729153066 HUWBQVIXCGSUCQ-UHFFFAOYSA-N 434.504 1.978 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1740638312 KDXQWVPQGKBZNJ-WJOKGBTCSA-N 434.525 1.176 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCN(CCN(C)C)CC2)CC1 1740694927 XSKARRHSBHYFHR-JOCHJYFZSA-N 443.640 1.549 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC2(F)F)CC1 1740695967 IFNGASIUSNKCBP-IRXDYDNUSA-N 441.548 1.761 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1740858744 ZDPUXLPWLDGJMY-QGZVFWFLSA-N 448.597 1.670 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCOC[C@H]1C 1740994469 ONXRVZAQFKVHRF-QGZVFWFLSA-N 434.562 1.898 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1745780909 DESLHKLGTBIRQP-UHFFFAOYSA-N 437.504 1.812 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1748170725 BZKIFPWPYRRQGC-SFHVURJKSA-N 428.562 1.895 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1c(C)noc1C 1748293223 DDPMIPWLRYBZMG-UHFFFAOYSA-N 429.506 1.607 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1748801616 CXWZLFNSDDAYNV-OAHLLOKOSA-N 433.534 1.225 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1748808853 HCAQMYUDWAGRSZ-KRWDZBQOSA-N 445.545 1.059 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748811505 IDDRNUJNQLKJPE-SCTDSRPQSA-N 429.546 1.782 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1748829779 JPCQBAAGBVDMQZ-VGSWGCGISA-N 431.537 1.916 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1748892324 NQHKPVIKKOAPOK-UXHICEINSA-N 431.606 1.908 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)CC 1748944715 CEJHCDJWEQITLE-QGZVFWFLSA-N 435.525 1.500 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN2CCCO[C@H](C)C2)CC1 1748984463 RRMVKBWXZWUERL-HXUWFJFHSA-N 425.581 1.540 30 10 IDEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749157432 CJNZCODFPLDTQR-RTBURBONSA-N 444.561 1.713 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1749611655 BEAJTEIIBVQAIR-JTSKRJEESA-N 443.504 1.516 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1750963053 FNZRXIMBOSYMBR-UHFFFAOYSA-N 427.509 1.624 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760155113 QCHDDDYQFQXIKR-SFHVURJKSA-N 448.593 1.322 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1760522666 AFZGEGJVXZGXML-INIZCTEOSA-N 438.511 1.835 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760569041 ATICXEBXEISDGC-SFHVURJKSA-N 433.582 1.400 30 10 IDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)cn1 1765326274 UBNNKJCEJKPLPG-UHFFFAOYSA-N 427.534 1.952 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1768229324 HAVDUAYYOZOWBX-UHFFFAOYSA-N 428.522 1.369 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1769216274 IPYINZRKCCVVMV-IAGOWNOFSA-N 430.484 1.676 30 10 IDEE CO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1769595570 LGBVDYJIWVEPPU-LSDHHAIUSA-N 443.474 1.560 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1OC 1770296528 HJVRTMCOSBIQHW-NXHRZFHOSA-N 431.518 1.101 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1770636730 OZUIQCCRYDSGFV-VGVBMJIYSA-N 437.504 1.728 30 10 IDEE CS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1771366758 AKHIDMKJBWXJBQ-GOSISDBHSA-N 444.561 1.762 30 10 IDEE N#CC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1771533833 AQNBAFPGKMCNKQ-IBGZPJMESA-N 435.937 1.888 30 10 IDEE CC(C)N(CC#CCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 1850021934 YHXBRCUBBYLBQO-UHFFFAOYSA-N 437.562 1.365 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)NC[C@H](c3ccc4c(c3)OCO4)N3CCOCC3)cnc21 1853298119 CYPVDBIGAOWWAW-LJQANCHMSA-N 433.468 1.977 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCC[C@@H]2C(=O)N2CCN(C(C)C)CC2)cc1 1853405608 RRBDYTJRAAUUAA-HXUWFJFHSA-N 429.565 1.566 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CCN(S(C)(=O)=O)[C@H](C)C3)C2=O)cc1C#N 1853953779 IJVSQFPHNGUZGR-APWZRJJASA-N 432.546 1.354 30 10 IDEE CC(C)(C)CC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854320042 BJXIALNRGCFUDD-QGZVFWFLSA-N 432.546 1.428 30 10 IDEE N#Cc1ccc(CCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854456230 GIRMCPBGYJWZBX-IBGZPJMESA-N 429.542 1.662 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)C1=O 1854519026 NRBNGOXCMHMWJB-QAPCUYQASA-N 432.546 1.147 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1COCCO1 1854554078 HCBVXCWFTHZLIP-QFBILLFUSA-N 434.514 1.637 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)CC1=O 1854880695 GCYFEXAVGYQPIZ-FUHWJXTLSA-N 433.940 1.411 30 10 IDEE COc1ccc(Br)cc1CCC(=O)O[C@H]1CON(S(=O)(=O)CC#N)C1 1855057633 VOCVNJDGEQVXDN-CYBMUJFWSA-N 433.280 1.403 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 1858320108 JHJNFKXDKWFORQ-CQSZACIVSA-N 435.483 1.028 30 10 IDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCO)cc(OC)c1O 1862565526 ZNDVQPWYRNBGKG-GOSISDBHSA-N 428.441 1.952 30 10 IDEE N#CCCN(CC(=O)O)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1866304119 YMVSBILGIDMPBM-UHFFFAOYSA-N 435.392 1.652 30 10 IDEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN1CCN(CCO)CC1 1870460998 QSQTXMTWTBGVJS-UHFFFAOYSA-N 434.581 1.172 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600167 FBQMZJKCWIQALY-UHFFFAOYSA-N 437.500 1.196 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)c(OC)c1 1874338259 URICUOQJSHLKMU-SCDDIDHTSA-N 447.517 1.864 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2006263141 MELCZTPPUXAUGE-OLZOCXBDSA-N 425.345 1.935 30 10 IDEE C=C(CNC(=O)[C@@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2084667522 GKSCXGFHZSANOD-OWCLPIDISA-N 440.346 1.940 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2243416086 CACKICCACBIFHK-UHFFFAOYSA-N 447.388 1.386 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644388 IUCCFPUFXHOUEV-HIFRSBDPSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266992222 QIQMIKAOXVKFLB-IRXDYDNUSA-N 447.341 1.793 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](CCN3Cc3ccccc3)C2)n1 2267115579 JSIGBFNNDPKGLF-QZTJIDSGSA-N 437.353 1.461 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)CN1C(=O)OC(C)(C)C 2267265315 DLJKSENWELDJFD-KGLIPLIRSA-N 449.361 1.584 30 10 IDEE CC1(C)OB(c2cccnc2C(=O)NC[C@H]2CNCCN2Cc2ccccc2)OC1(C)C 2267267710 LWEDBSDYMIHTDX-LJQANCHMSA-N 436.365 1.585 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@H]21 2267870878 JEGANPYYPPCHJL-HUUCEWRRSA-N 444.341 1.857 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2312854909 BUDKJMMNDFOTPB-BPLDGKMQSA-N 432.330 1.457 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCCNC(=O)OC(C)(C)C)n1C 2315521932 FEHBYMWMSDANSV-UHFFFAOYSA-N 438.334 1.604 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2334272909 GIWSTUZSGGEPEN-FVQBIDKESA-N 444.341 1.904 30 10 IDEE CC(C)(S)[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2338848028 RZZZLVDYIMQMSU-OAHLLOKOSA-N 442.559 1.924 30 10 IDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCC(NC(=O)OCc2ccccc2)CC1 2367814302 IXBJHGJVXXZJRY-GSVIPDFHSA-N 434.558 1.755 30 10 IDEE COc1c(O)c(O)cc(C)c1C(=O)O[C@@H]1CC2=C(COC(/C=C/C(=O)O)=C2)C(=O)[C@]1(C)O 35466102 GJNBQACJJQJHGH-PZSXPFMYSA-N 446.408 1.516 30 10 IDEE biogenic COC1=CC(=CNN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)C=C(OC)C1=O 38175387 QOMOMUWYUIIWTA-UHFFFAOYSA-N 441.536 1.718 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cc(F)cc(F)c1 72444420 SIDULFZZZFBCKI-GJZGRUSLSA-N 443.410 1.615 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CC(C)C 447278725 DAVRGAPHOCNNHD-UHFFFAOYSA-N 444.507 1.991 30 10 IDEE N#Cc1ccc(OCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 461199786 ZNNOTRXYWJUPLM-UHOSZYNNSA-N 433.530 1.163 30 10 IDEE CCOC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 461211049 LAXWSXBSGULCNN-LJQANCHMSA-N 429.498 1.955 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1-c1ccccc1C 480951243 JCJDLWQXRWSHEE-UHFFFAOYSA-N 437.521 1.976 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccc(F)cc1 482553657 JUBZKCMJFAQXPE-UHFFFAOYSA-N 438.509 1.999 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)cc1C#N 489096473 DNFCGYFPPIRPMH-HNNXBMFYSA-N 431.493 1.734 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c1 513784945 CDVNDNOKBRWJOK-QFIPXVFZSA-N 438.553 1.755 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)c1C#N 534798259 GYTULZAUIMOCEJ-FQEVSTJZSA-N 431.500 1.808 30 10 IDEE C=CCN(C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 540553602 FZEQVSRCQGVCNO-AWEZNQCLSA-N 431.511 1.573 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 549504280 BVGYXMBPWRBZRQ-UWJYYQICSA-N 449.559 1.785 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@]4(CCCOC4)C3)CC2)cc1 574997198 HXYLAUNQRBCYQX-OAQYLSRUSA-N 433.530 1.367 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(N)=O 589159650 ZBEZGKREOXALSX-UHFFFAOYSA-N 447.516 1.407 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccc(F)cc2)c1=O 603787490 XLOWGMHGBVPLAC-UHFFFAOYSA-N 449.507 1.708 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCCN3CCOCC3)CC2)cc1 603901822 BNSYXYDZGAAFCI-UHFFFAOYSA-N 434.562 1.188 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 606028460 XISOEIFJRULOGA-UHFFFAOYSA-N 427.505 1.794 30 10 IDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)o2)cc1 609070112 JBNIDRPVYYFXRM-UHFFFAOYSA-N 438.484 1.347 30 10 IDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1CCN(CC#N)CC1 610667247 VMWBWBNOEIPUAI-ZDUSSCGKSA-N 428.352 1.963 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H]3CCCCO3)CCN2C1=O 619863221 HRYXOKNPBTXRBL-RTBURBONSA-N 449.515 1.859 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCO)cc1 703980482 LLBMXFLVLWYIKI-INIZCTEOSA-N 426.494 1.697 30 10 IDEE COC(=O)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1cccc(F)c1 729977230 PPVGSWXKFYFZDN-OAHLLOKOSA-N 447.488 1.402 30 10 IDEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1 730137095 CVJBIOXYQSTGEN-GOSISDBHSA-N 447.605 1.773 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ccccc2Br)C1 732468097 BSCLXHGLERYNKB-BZSIDJSBSA-N 448.321 1.853 30 10 IDEE N#C[C@@H]1CN(CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)CCN1C1CC1 732666001 DAJANVLRXAYTJD-OAHLLOKOSA-N 432.278 1.374 30 10 IDEE N#C[C@H]1CN(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCN1C1CC1 732701192 LACNZCLFHKDBIK-IBGZPJMESA-N 430.940 1.370 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 741389503 HYRQYGFGJFWCSJ-ZKCWRFQVSA-N 438.506 1.295 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 762599848 XXHZITOBZQOJNH-MAUKXSAKSA-N 435.546 1.973 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN4C(=O)OCC[C@H]4C3)nc12 763315429 SXOJVWDCKQZTNF-AWEZNQCLSA-N 426.502 1.850 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(CC(C)C)s2)c1=O 772897581 JAQFEUZNGWJQPU-UHFFFAOYSA-N 432.571 1.016 30 10 IDEE C#CCN(C(=O)NCc1ccc(OCCOc2ccccc2)nc1)[C@@H]1CCS(=O)(=O)C1 774172216 NFKZZMZNTXMGPZ-LJQANCHMSA-N 443.525 1.871 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 774576612 MBBDSVDGAGLIAZ-PVAVHDDUSA-N 432.546 1.698 30 10 IDEE COc1ccc(CNS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)cc1C#N 775721739 YLFXKNWCNYHWSI-UHFFFAOYSA-N 430.408 1.676 30 10 IDEE C#CCOc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 780402411 VPZAPLRVAVTPRN-NRFANRHFSA-N 435.528 1.694 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1C#N 787853426 FLEUWZVKNAKVMF-QFIPXVFZSA-N 449.555 1.678 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=C3CCCc4cc(C#N)cnc43)nc2)CC1 788419990 PUCPNSGACXOMBA-UHFFFAOYSA-N 425.518 1.437 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCn2cc(C(=O)OC)nn2)C1=O 790001409 JSCLRPNCEOFLFS-OAHLLOKOSA-N 430.490 1.141 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 793194625 SHHWQXZVLRRCQP-UHFFFAOYSA-N 440.275 1.185 30 10 IDEE COc1cnccc1N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 794339150 LXFCNGPEIBJEKV-OAHLLOKOSA-N 443.529 1.256 30 10 IDEE C[C@@H](C(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)n1cnc(C#N)n1 798744525 UENHETQGHOPALM-HOCLYGCPSA-N 425.445 1.779 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800771482 BSYZZGVYJKXWJD-GOSISDBHSA-N 441.561 1.558 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C#N)ccn3)C2)CC1 806543393 ULDWSVXLUSWMBM-KRWDZBQOSA-N 427.505 1.885 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 914679001 OKMSLQCIKMLWPJ-AWEZNQCLSA-N 431.470 1.758 30 10 IDEE CCC(=O)c1ccc(OCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 914684358 AEBCYANNDYFRBQ-UHFFFAOYSA-N 440.456 1.718 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3nccc(OC)n3)CC2)ccc1F 919991124 HHEQPXOOQKKGJZ-UHFFFAOYSA-N 435.481 1.051 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)cc1 1125087260 KZCLMJKTDYQYHD-UHFFFAOYSA-N 448.526 1.358 30 10 IDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 1125188954 LGFSXUGEJLCCFH-UXEGYOSNSA-N 437.518 1.796 30 10 IDEE Cc1nc(SCC(=O)NCC2(N3CCOCC3)CCN(C)CC2)c(C#N)c(C)c1C 1129846727 CNUQFRGWTAPSAY-UHFFFAOYSA-N 431.606 1.883 30 10 IDEE N#C[C@]12CN(C(=O)c3cnnn3-c3c(Cl)cccc3Cl)C[C@H]1CS(=O)(=O)C2 1134649160 FIMVDXVHJUQVIR-MGPLVRAMSA-N 426.285 1.584 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2=O)cc1Cl 1142898887 SHMWTJSDQDLMHM-CVEARBPZSA-N 431.924 1.268 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)CC1 1157009913 UGEAAKDSCIAICB-UHFFFAOYSA-N 440.525 1.589 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1286389871 RZQDMMMUUASYNF-IAGOWNOFSA-N 431.493 1.043 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCOc1cccc(C(F)(F)F)n1 1286399104 YTHXAVUVYHJDOR-UHFFFAOYSA-N 434.422 1.982 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCC1 1286419323 RZRXCDRGRZBTAH-UHFFFAOYSA-N 433.516 1.791 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cc[nH]n1 1286423415 IXVRFRHPQCMCLJ-UHFFFAOYSA-N 445.483 1.332 30 10 IDEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@@H]2C1)c1ccccc1 1286615071 FMVQDDMQSHQMDY-IEBWSBKVSA-N 426.521 1.929 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1286671470 RXUCWXJCBXYOFF-QGZVFWFLSA-N 432.569 1.811 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN1CCCCC1 1286726958 LCSCZYHEPVZXFW-QZTJIDSGSA-N 440.614 1.355 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1286784962 ZZAJXDWMDKTMFS-UHFFFAOYSA-N 428.518 1.132 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286787018 ANWGNKRIKKLYJO-KRWDZBQOSA-N 440.552 1.324 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1288505886 CYAMFXWDMQIJGL-ZDUSSCGKSA-N 438.941 1.644 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCOC2)cc1Br 1289606028 UMHNCMJHJGOOOA-BEFAXECRSA-N 448.321 1.896 30 10 IDEE Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1Cc1ccc(C#N)o1 1290870831 YEWDXVMRCZLJRS-UHFFFAOYSA-N 425.537 1.916 30 10 IDEE C[C@H]1CSCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1291314216 WWWDWYGXNBEMNY-DNTCVELPSA-N 439.545 1.732 30 10 IDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1=O 1296106829 XTGWQHTZOQYQSP-UHFFFAOYSA-N 447.499 1.785 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 1298583762 FHMRKLRFLAZEKY-QORZXHQWSA-N 435.424 1.185 30 10 IDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 1300126300 DBBIWHXHVKSWLS-PERKRYKHSA-N 427.505 1.341 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1300578556 MGVQMCDWNDXGRD-RTBURBONSA-N 434.562 1.229 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(OC)c1 1300631308 PNBHAJBKCZUFFP-KRWDZBQOSA-N 445.545 1.078 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1300733677 LVJFZNPSTXICJX-INIZCTEOSA-N 427.534 1.397 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1301439196 FUFWHZZATSAZQX-HSZRJFAPSA-N 448.531 1.721 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC(=O)N1CCCCCC1 1304855533 DXYMRQMAELPUPO-KRWDZBQOSA-N 437.552 1.756 30 10 IDEE CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1313814212 CTTKMTBMKRBQQC-SFHVURJKSA-N 438.536 1.494 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1313951608 ACASIABBPYUZBF-ZCNNSNEGSA-N 431.585 1.174 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1358930378 UHJNPRJJBZYKFD-SFHVURJKSA-N 435.594 1.726 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358959587 LWCQJTDCMXGHGQ-IERDGZPVSA-N 446.529 1.462 30 10 IDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358996780 RFYFFGGUISWNMJ-WOJBJXKFSA-N 429.590 1.898 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1359000294 RBZWUDRQVQDIBY-GFCCVEGCSA-N 444.359 1.007 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCCCC)CC1 1359299516 HCFMRFGGHPZJFC-SFHVURJKSA-N 432.569 1.955 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359334058 RQGVLFZQJKTFQO-GJZGRUSLSA-N 438.531 1.645 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Cl)cn2)CCOC1 1360347743 MSADQAVCRAVKMG-VQIMIIECSA-N 435.916 1.598 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C)c1cc[nH]n1 1445525840 JELIVCWCZREOQW-QGZVFWFLSA-N 444.488 1.763 30 10 IDEE COC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(OC)c1 1453476227 QYMLILQQVSILLO-IBGZPJMESA-N 445.497 1.544 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1 1456462229 BDFZBZUNZNCSEY-QZTJIDSGSA-N 436.530 1.848 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c1 1464316630 MQTGTVFPBZKXCF-UHFFFAOYSA-N 433.511 1.302 30 10 IDEE C[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCN1CCO 1467341181 WQKTXRQJKIMSHM-UZLBHIALSA-N 428.533 1.918 30 10 IDEE C#CCC1(O)CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 1471522198 ULHDTBBSPDIUEI-UHFFFAOYSA-N 429.336 1.690 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(C)nc1 1503108480 IDEWCCJBFCXBNG-KRWDZBQOSA-N 433.520 1.943 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504694100 PORLZFWIGGDMLU-MEUCICPISA-N 426.477 1.846 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1505048303 ODBOGXYEWOWFFI-VGOFRKELSA-N 427.505 1.864 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1507658782 GJEMEFZXPMOEOC-UHFFFAOYSA-N 447.543 1.257 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1507666875 HYWPFKMSRRTXTP-UHFFFAOYSA-N 446.511 1.196 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1507672389 ZIMPLGGVBSKMIA-LJQANCHMSA-N 447.605 1.900 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCC 1507678395 GVPXTEVQPIFBHQ-UHFFFAOYSA-N 431.566 1.532 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1507794890 BDMUVLVOMQOQRA-BJLQDIEVSA-N 433.553 1.448 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1507953182 DJRLKRFFOVMEJO-SZMVWBNQSA-N 439.582 1.581 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)c3cnn4cccc(Br)c34)CC2)c1C#N 1516422894 DHIWPEGQDLVVGU-UHFFFAOYSA-N 428.294 1.973 30 10 IDEE CN1C[C@@](C)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1517408112 IEWMERXNFBODTF-UZLBHIALSA-N 430.896 1.718 30 10 IDEE COc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1518371059 CHXBWLAZPZGYFK-LEWJYISDSA-N 445.545 1.633 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1520846909 RKDVSORCRDFSDU-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)C2=O)cc1 1538861101 BNPPAXPAYKCXOO-GBXCKJPGSA-N 448.479 1.934 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1539034741 ICSSGDSHHJFOEC-HOIFWPIMSA-N 432.569 1.875 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC[C@@H]2COCCO2)c1 1539040121 MXNOTKNHGZOIBA-LJQANCHMSA-N 447.499 1.597 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1539186120 CMGZDGOQQVVTFF-UHFFFAOYSA-N 440.620 1.082 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1539265492 GYXQWRYLFZBNQJ-VQTJNVASSA-N 425.558 1.556 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539311424 LVQIMFYVVFTCKI-UHFFFAOYSA-N 441.495 1.066 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)cc(C)cc1C 1539396378 OGTREKVCHBAFSQ-SFHVURJKSA-N 433.578 1.948 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539446759 IKAPVZGHZOQXFW-IBGZPJMESA-N 443.573 1.379 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCOC2=O)CC1 1539475681 LZUWBQLSQYFBEW-UHFFFAOYSA-N 437.504 1.148 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1539902612 LJJLUZLKXASICY-CVEARBPZSA-N 426.587 1.011 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1)C1CC1 1540108665 LDAOOJIPJPYQFL-INIZCTEOSA-N 445.545 1.247 30 10 IDEE CN1C[C@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)N(C(=O)OC(C)(C)C)CC1=O 1540470894 IBJPKKVJIBWHAM-RBUKOAKNSA-N 441.532 1.473 30 10 IDEE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1543748845 GSWIIVYTRWFAGY-HOTGVXAUSA-N 425.489 1.877 30 10 IDEE CCN1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1547661962 YKRYZLQJUMNIOA-OAHLLOKOSA-N 438.536 1.293 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CCO1 1555385268 DBWVSSPCVXWXLX-HXUWFJFHSA-N 440.548 1.779 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(S(C)(=O)=O)CCC1 1555728286 OOLTVKYMFVBFQB-JYJNAYRXSA-N 425.555 1.565 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2COCCO2)CCO1 1555992014 CYRISZBZHSCVPZ-VXGBXAGGSA-N 440.323 1.913 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1557387314 TYPKHBXHWBNLBJ-XGCMIMOYSA-N 439.512 1.593 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccc(C#N)c3[N+](=O)[O-])cc2)CC1 1559106531 SJEWANBBCGSXII-UHFFFAOYSA-N 430.442 1.976 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1564647634 HGPJCTCARARCFI-KRWDZBQOSA-N 438.456 1.490 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc(C(N)=O)nc2)CC1 1565661970 RHIHLFKGCBTDPW-SFHVURJKSA-N 442.317 1.895 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1583820761 KXDRMCLZUSKJTG-MRXNPFEDSA-N 438.550 1.231 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F 1587661962 KFDMMJDWVKZDIJ-NSHDSACASA-N 428.440 1.406 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCS1(=O)=O 1588099605 SBMJYPXGSHWFIE-GOSISDBHSA-N 427.486 1.893 30 10 IDEE COc1cc(C(=O)NCC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)ccc1OC(F)F 1588774502 BBPQNRQHUJXHCY-JTQLQIEISA-N 436.280 1.701 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3Cc4cccnc4NC3=O)C2)C1 1593819678 OICUWCPBWLSDAX-XNROWMOSSA-N 425.489 1.848 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(CC)CCS(C)(=O)=O 1595530281 ZHXPFRMLJTXTRW-UHFFFAOYSA-N 444.561 1.610 30 10 IDEE C#CCN(C(=O)CCNS(=O)(=O)c1cccc(Br)c1)C1CCN(C)CC1 1597348705 CPQKOXQRKSSZCI-UHFFFAOYSA-N 442.379 1.674 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1612123352 ALSNVMOCVLTTCQ-OXQOHEQNSA-N 433.534 1.311 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)Cc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1616335756 HOVLOIZVUPEMJA-GHTZIAJQSA-N 444.534 1.671 30 10 IDEE CO[C@H]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619484132 VQOCFLMTILVCHJ-KDOFPFPSSA-N 439.520 1.766 30 10 IDEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc21 1622605944 WSJWTXXJEDTUJQ-WTANOLMUSA-N 437.543 1.106 30 10 IDEE C#CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1626435037 RZGRKKXGWZRBGU-MRXNPFEDSA-N 436.331 1.406 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)C1=O 1635568318 OWQKSBMCZBQDQX-FQEVSTJZSA-N 449.533 1.615 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CCO2)cc1 1639637737 FEZONXVPPQZVTG-NHCUHLMSSA-N 426.517 1.171 30 10 IDEE COC(=O)[C@H](CCC(=O)N1CCC(C#N)(C(=O)OC)CC1)NC(=O)OCc1ccccc1 1640588251 IHLYKUZDJILIBF-KRWDZBQOSA-N 445.472 1.540 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)c1 1641049975 ZNLFFEVGVDOZMI-XMMPIXPASA-N 445.479 1.513 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3OCC)CC2)c1 1644592148 MUIFGQVSPFKHGC-UHFFFAOYSA-N 428.514 1.354 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 1653704249 ZFBNHKHOBOOXID-IAGOWNOFSA-N 446.388 1.759 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@](C)(Cn2cccn2)C(N)=O)n(Cc2ccccc2)c1C 1656456211 HCPQSVGJACBJJJ-HSZRJFAPSA-N 433.516 1.694 30 10 IDEE COc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CC(C)(C#N)C3)C2=O)cc1OC 1658479000 CKKZPRCUKSYWKS-MFOYZWKCSA-N 444.513 1.702 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 1666366019 PVSLJEXQQDFAHW-QGZVFWFLSA-N 434.514 1.699 30 10 IDEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1)C1CCOCC1 1675739091 QTWCYUXVUAPNQR-PMACEKPBSA-N 431.533 1.805 30 10 IDEE N#CC1(CNC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCOCC1 1680687895 ZVUFEAQVJSOISV-UHFFFAOYSA-N 435.424 1.978 30 10 IDEE CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682226322 GWNFYLGVUOSVKA-SFTDATJTSA-N 439.560 1.944 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)CC2)c(F)c1 1686728478 BHBKQPGVTQMFFY-UHFFFAOYSA-N 431.512 1.410 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1689955700 PZGYZPQHHHHBTE-INIZCTEOSA-N 425.489 1.281 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1(c2ccccn2)CCC1)[C@@H]1CCS(=O)(=O)C1 1689995784 ABXVUCRNYVKXGG-GOSISDBHSA-N 443.573 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC1CC1 1690006598 UQWADMXRUOQVPR-UHFFFAOYSA-N 427.486 1.751 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1690106060 IYNUEICWMUMKAO-SFHVURJKSA-N 432.546 1.686 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1690110366 IYASKDGOGPTCQE-IBGZPJMESA-N 449.559 1.225 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCCOC 1690188251 GSVMHCNBANXYFO-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690291522 ABALGXAEJCNHME-UHFFFAOYSA-N 431.566 1.784 30 10 IDEE C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690472579 QKBVHYLWAAXGMX-WBVHZDCISA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690663890 HRHVNOLPCYWRSJ-QZTJIDSGSA-N 428.537 1.696 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)CC1 1695936779 CKGOTOTZICPPJR-UHFFFAOYSA-N 437.548 1.787 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(CCC(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1696059123 WTUREOONYQYJGD-QFIPXVFZSA-N 442.520 1.925 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1696912941 ASBPVXDCWOGRBW-LHEBDHONSA-N 444.561 1.458 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)C 1705544705 BBUWHNAPMGNINV-UHFFFAOYSA-N 432.550 1.037 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NC1CCCCC1 1705575030 WDTSKLVMUCTDMC-HSZRJFAPSA-N 427.549 1.840 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cc(C)nn1C 1705593687 UHKJJYUXNJQGTE-UHFFFAOYSA-N 426.488 1.474 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1705629180 YXKGHSJZEKOPRA-RXVVDRJESA-N 441.532 1.597 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)Nc2ccc(F)cc2)CC1 1705634958 NNGLPDBTDQOZGH-KRWDZBQOSA-N 444.511 1.535 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)NC 1705713229 XLBPTHTYTPDKDR-UHFFFAOYSA-N 434.566 1.734 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1705899806 HMPNWYDGPSRQGG-MRXNPFEDSA-N 427.534 1.929 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705941599 OTGNKDNSFDXHFP-HXUWFJFHSA-N 439.549 1.542 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1706238452 SYYYDJJQIICGNE-RBUKOAKNSA-N 435.532 1.646 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1709829851 DZLDZQSQSJHYQQ-HZPDHXFCSA-N 446.577 1.991 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnnn1C 1711244261 VNOUNVSWQDVASF-MRXNPFEDSA-N 434.277 1.665 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCC(OC)CC2)CCO1 1711360884 QTGUVMVLPHVWTA-LYBXBRPPSA-N 438.532 1.973 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCOC[C@H]1C 1712560768 AKAFAMYBANMFJD-FTEYMNFISA-N 432.569 1.851 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1(=O)=O 1722426837 DFMCLMPIWRASHX-BZSNNMDCSA-N 440.566 1.055 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC=CO2)n1 1722428919 CVDVDRGAWIQVRZ-ICSRJNTNSA-N 426.521 1.957 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2ccco2)CC1 1722429081 GTTNALUWSUCLDN-QFIPXVFZSA-N 428.537 1.452 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1722442539 UZDVMKOBIRWZIR-JOCHJYFZSA-N 444.967 1.332 30 10 IDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCS(C)(=O)=O)CC1 1722564562 BOZKBULYUKBNHT-UHFFFAOYSA-N 437.522 1.223 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cnc2c(Cl)cnn2c1 1723590869 MTRDDKQNGLQBMV-LJQANCHMSA-N 445.890 1.797 30 10 IDEE CNC(=O)CCN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729712874 ABNPLERZKKHXAT-FMQUCBEESA-N 429.525 1.110 30 10 IDEE COCCCOC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1730714475 JXLVGWYNWPIXGV-SFHVURJKSA-N 428.493 1.764 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1740545554 AWIWXDAOBGUZCC-SJLPKXTDSA-N 447.543 1.908 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H](C)N2CCN(CC)CC2)c1 1740564114 AZQYRXFPJWHBDV-IBGZPJMESA-N 437.592 1.923 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1740571920 XKNHKCACCJNJBI-NRFANRHFSA-N 443.577 1.743 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740619990 BIFPZDLGOCKLCE-QZTJIDSGSA-N 442.541 1.926 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1740638501 NHTSTXVARBONJG-QZTJIDSGSA-N 442.541 1.729 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC(=O)NC)CC1 1740704181 JNIBCPPODLXDKP-UHFFFAOYSA-N 433.516 1.528 30 10 IDEE C#CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1740722959 LVEYOYATUSQPDS-HNNXBMFYSA-N 434.566 1.653 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1740918824 VJFKSJBCWZOCTJ-GOSISDBHSA-N 431.562 1.897 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740946859 KMTMBBZTSDCXGE-IRXDYDNUSA-N 425.555 1.050 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740957943 FDUOZGJMUVOGGC-MRXNPFEDSA-N 435.536 1.615 30 10 IDEE CC(C)Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1741472398 JOPQUSOSEBZJDV-UHFFFAOYSA-N 427.509 1.564 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNS(C)(=O)=O 1743676443 DEWKGSIZUPKLLF-ZDUSSCGKSA-N 433.538 1.266 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1747658163 VEGVVSROFLQWEW-MRCUWXFGSA-N 433.472 1.854 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 1748751919 OLLFXAJENMMKQZ-SFHVURJKSA-N 439.582 1.418 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCCC 1748842028 DIYKAFXAKRBGMN-UHFFFAOYSA-N 445.527 1.664 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1748851498 GFOQMACLEGMEQW-IBGZPJMESA-N 426.542 1.579 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnnn1C 1748886902 PCERNQTZKUFBQH-UHFFFAOYSA-N 441.499 1.315 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1748923125 UUNPEMRRCDMZAY-SFHVURJKSA-N 449.559 1.498 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1748983917 CALLLCUOQYGRHF-OAQYLSRUSA-N 431.544 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1749015702 JVGUCUZRNOSLPM-UHFFFAOYSA-N 448.527 1.610 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1749147748 PTAYMCMXNIKGOT-XLIONFOSSA-N 441.598 1.757 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749219690 PLMZVPYFPPGOQZ-HXUWFJFHSA-N 429.521 1.888 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC2(O)CCOCC2)CCO1 1750387819 BYVUWDMJLGESDB-HNNXBMFYSA-N 433.459 1.807 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760154345 CZRVICYOOIUALL-XFQAVAEZSA-N 449.577 1.697 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)[C@H](C)CC)CC1 1760259870 HZKNHSWCVDHUML-ZHRRBRCNSA-N 428.537 1.558 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1760262342 MCOPUNXSSDQXTM-SFHVURJKSA-N 447.509 1.903 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1760312681 CEBWPKBORRMVMN-FUHWJXTLSA-N 430.553 1.504 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(S(C)(=O)=O)CC1 1760407055 SQIINAMKPGPRKZ-CQSZACIVSA-N 447.627 1.504 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1760447679 PAUYOFSJNJCFPJ-UHFFFAOYSA-N 434.518 1.544 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1760449291 GJIXIADNQDYGFH-UHFFFAOYSA-N 444.517 1.421 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CN(C)C)C1CC1 1760476648 BIKIRPRJRAXRJO-QGZVFWFLSA-N 440.614 1.354 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1760525851 UPMGOESAPSWDSE-MRXNPFEDSA-N 435.532 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC=CCC1 1760554659 JMNUFHJHBBDUQR-DLBZAZTESA-N 442.607 1.574 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1760556736 ONSDALOVXIWVPO-KRWDZBQOSA-N 440.529 1.680 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760805429 HHIVXOQUHACBKS-MRRBFIHVSA-N 445.545 1.837 30 10 IDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cc1C 1761828406 HFCDFAXOIGBVSC-JOCHJYFZSA-N 442.495 1.775 30 10 IDEE Cc1nnc(N(C)[C@H]2CCN(Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762508400 ZOENIJCUEAYKHB-XJUMHSELSA-N 435.532 1.824 30 10 IDEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 1762675428 DWRBEUNGHJBYJM-KRWDZBQOSA-N 441.517 1.764 30 10 IDEE CCCN1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1764457034 DONJHUTXCDJLFB-MUGJNUQGSA-N 432.569 1.995 30 10 IDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1766064346 GBUWXONLRFJPAK-UHFFFAOYSA-N 439.520 1.312 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(C)C)C[C@H]1O 1767922346 ZBLJMRCYDLUHSX-RTBURBONSA-N 426.521 1.517 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1768435730 HEJGRMHFZSGZIN-KRWDZBQOSA-N 430.534 1.308 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCOCC1 1768932008 QDQAGQLHQUXDSA-FQEVSTJZSA-N 440.548 1.719 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCOC1 1768995952 PBWVASNYJXHEQG-DLBZAZTESA-N 439.289 1.639 30 10 IDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1769227861 NXKNAYOVPDTMIE-KVSKMBFKSA-N 443.504 1.371 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(=O)N1 1769820827 UEBOLFNDYFJYIF-GOSISDBHSA-N 439.520 1.220 30 10 IDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1771114754 XXDICQGFEZBLPM-SFHVURJKSA-N 426.521 1.831 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1772564703 XUVDYGWXBFVBFF-FUHWJXTLSA-N 446.577 1.471 30 10 IDEE CC(C)[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)NCC#CCN1CCOCC1 1851728458 LGMIOTWJYPXWRD-SFHVURJKSA-N 427.954 1.095 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1852510328 SKGXAABXGPNPCQ-UHFFFAOYSA-N 443.529 1.183 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N(C)[C@H]2CCOC2)cc1 1853033141 ZCSDERAYSPZZDR-RXVVDRJESA-N 443.525 1.704 30 10 IDEE Cc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOCCCN(C)C)n1C 1853482014 QWVASACYCQQTOI-UHFFFAOYSA-N 433.534 1.437 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(=NOCCN1CCOCC1)C(C)C 1853565053 NVWXQRFELDAMLT-UHFFFAOYSA-N 427.523 1.378 30 10 IDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)Cc3cccnc3Cl)C2=O)C1 1854252102 XPKPUNYFHAQWBZ-QGZVFWFLSA-N 425.876 1.825 30 10 IDEE N#CCC1CCN([C@H]2CCCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2=O)CC1 1856550267 NDTBZOFFYZTWTE-IBGZPJMESA-N 436.578 1.334 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C(F)(F)F)C2)CC1=O 1856788373 YQMVXLFFBCZFRK-CHWSQXEVSA-N 448.419 1.588 30 10 IDEE CC1(C)C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)CCC(F)(F)F 1857428102 QMHJWLZXKUQVBG-UHFFFAOYSA-N 431.436 1.832 30 10 IDEE CCOC(=O)CN(C1(C#N)CCCC1)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 1857955867 MINYHNLNBCLJPH-UHFFFAOYSA-N 433.486 1.730 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1cccnc1 1870357338 FUVOHKRLTNRHTC-UHFFFAOYSA-N 426.517 1.343 30 10 IDEE CCCCCCCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCNC(C)=O)C2)CC1 1872941861 RTPQISFBVYILIB-FQEVSTJZSA-N 436.597 1.686 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 1889640021 TZAQVBBTKZAYMO-UHFFFAOYSA-N 444.601 1.757 30 10 IDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(F)c3)C2)c1 1890096144 LDPOGAREPLJJLF-IEBWSBKVSA-N 444.488 1.925 30 10 IDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC(CN(C)c3ncccc3C#N)CC1)CS2 1891398549 QBQOHDYFXZFRTG-GOSISDBHSA-N 438.557 1.915 30 10 IDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(COc4cc(C#N)ccn4)CC3)cc21 1891705387 DAEMTEYJRCITPQ-UHFFFAOYSA-N 428.470 1.878 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C=Cc3cn(C)c(=O)n(C)c3=O)c2)c1 2040971380 QERBJQZBMPHALP-UHFFFAOYSA-N 443.459 1.922 30 10 IDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2064277823 YVPDAAZDODOLLV-UHFFFAOYSA-N 434.302 1.133 30 10 IDEE Cn1nc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2247840872 RTIVMBURZUEUPW-UHFFFAOYSA-N 440.737 1.722 30 10 IDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248404321 LSYDVRLZXMJGBI-AAEUAGOBSA-N 441.359 1.333 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255629742 AHDHNTXRHURBFS-UONOGXRCSA-N 434.346 1.942 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255658324 BOIHWYJLIYEOHM-KBPBESRZSA-N 436.314 1.679 30 10 IDEE Cc1nc(NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256678105 LBOWGBNLFNYWAZ-AWEZNQCLSA-N 436.318 1.298 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267270082 JKPMFFCMIUGGCP-LSDHHAIUSA-N 447.341 1.481 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267504029 MHAFFWYUQKULQS-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)OC1(C)C 2267609371 OZMYBXUALLJSES-GFCCVEGCSA-N 442.247 1.449 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 2268653960 TWCLQBVSDVYEQV-GOSISDBHSA-N 446.353 1.756 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCOCCO)C(=O)[C@@]12C 2297591325 RWSXYEFZKRKYSB-QFIPXVFZSA-N 431.441 1.167 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)n1C 2315590311 YQBXGWPDOMGXLO-UHFFFAOYSA-N 434.346 1.624 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319676939 JTJWURJNXDAQMZ-FQEHYLHMSA-N 440.346 1.412 30 10 IDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(OC)c1O 2329035127 CJVICDLOBHAXCD-AWEZNQCLSA-N 447.517 1.864 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)CC1 108067293 BQJCSWUMXAFPGC-UHFFFAOYSA-N 426.473 1.357 30 10 IDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccc(S(=O)(=O)O)cc2)C1=O 254836203 PZMLNCQDHHDMLD-UHFFFAOYSA-N 448.442 1.100 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 427686130 PSACAMVHCVWKFQ-VHSXEESVSA-N 428.367 1.088 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3ncc(Br)cn3)CC2)c1C#N 432521501 XMJLWHXWGMPVRU-GFCCVEGCSA-N 433.314 1.746 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1Br 433860450 TTYVZGCVORZNFO-HNNXBMFYSA-N 428.308 1.379 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n(C)n1 436283348 URUAWTJGUWFCNH-MJGOQNOKSA-N 449.515 1.590 30 10 IDEE COc1cnccc1N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 478437078 SAPXSJVHCSPART-UHFFFAOYSA-N 429.502 1.245 30 10 IDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)C1 481066701 CWRKMVJZZOXZDI-LPHOPBHVSA-N 436.553 1.840 30 10 IDEE N#Cc1ccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1Cl 500939860 BNWSZQQAIDCNJC-UHFFFAOYSA-N 444.900 1.753 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 506894021 IMAUCWHSWOIBGC-UHFFFAOYSA-N 446.555 1.805 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1 508808194 GCTYMTKKBGKOIG-SFHVURJKSA-N 446.577 1.114 30 10 IDEE CN(C)C(=O)c1cc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cn1C 537021207 LEBDYLFFYRPYLQ-UHFFFAOYSA-N 431.518 1.662 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 568773052 MNWNZVAWCHJMKS-GOSISDBHSA-N 430.534 1.695 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N2CCCCCC2)nc1C 586300833 AZDBTKWEUKJHIF-MUUNZHRXSA-N 427.548 1.884 30 10 IDEE Cn1cc(-c2c[nH]cc2C(=O)NCC#CCNC(=O)c2c[nH]cc2-c2cnn(C)c2)cn1 681745392 KNORLTUNARTJKH-UHFFFAOYSA-N 430.472 1.307 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCCc2c1cnn2C 685550930 XVSKHKCCZMPJLK-RDJZCZTQSA-N 435.554 1.044 30 10 IDEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC2CC2)cc1 730136790 AVPRLRLRJDEERV-GOSISDBHSA-N 445.589 1.527 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n([C@@H]3CCOc4ccccc43)c2=O)cn1 742144271 CFAXXGBKGCQZKV-LJQANCHMSA-N 446.532 1.887 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 757148744 BEYGOJBATJXDLG-GFCCVEGCSA-N 439.419 1.993 30 10 IDEE N#Cc1cccc(N2CCN(Cn3nc(Br)nc3Br)CC2)n1 760552327 RGUAXILWFAKBNK-UHFFFAOYSA-N 427.104 1.849 30 10 IDEE C#CCN1CCN(C(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)CC1 768419314 FMHQKSVRWIJLFK-UHFFFAOYSA-N 440.508 1.058 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)CN(C)S(=O)(=O)c1cccnc1 769721843 JNXWZUBRCDNJQZ-UHFFFAOYSA-N 440.275 1.950 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCc2ccccn2)c1 772523098 GWVIXIRRMOJVJH-PLRJNAJWSA-N 443.529 1.582 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCn3c(O)nnc3C2)c1 782725446 LATCUYBMIBPXNX-XQNSMLJCSA-N 447.521 1.624 30 10 IDEE Cc1cc(C)c(N2CC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)c(C)c1 789329502 KNUKXYAIXXCBEF-KRWDZBQOSA-N 440.525 1.572 30 10 IDEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2ccc(S(C)(=O)=O)cc2)n1 789966095 DEOGMZQIJJJWCO-OAHLLOKOSA-N 446.558 1.711 30 10 IDEE COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)ccc1C#N 810867400 UHXYUMHSUBBDPG-UHFFFAOYSA-N 433.461 1.657 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 924228170 FSISOUFUCNJCIK-PEBXRYMYSA-N 442.472 1.594 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[C@H]3CCCS3(=O)=O)CC2)cc1 1132958182 IHXSLHJRSCMWGS-QGZVFWFLSA-N 439.559 1.042 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1153262017 GIQDRGHNXJSKIO-QGZVFWFLSA-N 440.949 1.250 30 10 IDEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)Cc3ccc(C#N)nc3)C2)nn1 1160841327 QSNKDTDBYRQCTM-GOSISDBHSA-N 425.493 1.976 30 10 IDEE COC(=O)c1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1Cl 1165924233 QTTDMLCIPZASKP-NSHDSACASA-N 436.877 1.376 30 10 IDEE COC(=O)c1ccc(CN(C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)nc1 1171561813 UBJXIVDQUNLKFI-SFHVURJKSA-N 427.530 1.771 30 10 IDEE C#Cc1ccc(CNC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1228656008 QXCWSJUYGAGACS-GOSISDBHSA-N 435.546 1.891 30 10 IDEE C#C[C@@H](NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1)C1CCOCC1 1253347756 IEKNIJFCTHXWOT-IPMKNSEASA-N 431.537 1.851 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1286359392 UZNFHRUDYRJIMO-HXUWFJFHSA-N 445.527 1.896 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286363658 QQWRGOLNCWTVHL-VGSWGCGISA-N 429.496 1.483 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1286386776 HGWFYAKBNNNWHG-FQEVSTJZSA-N 442.589 1.841 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)CC1 1286484256 KKZHWKIMINLRIT-UHFFFAOYSA-N 440.523 1.797 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCCS(C)(=O)=O 1286770628 RIUCBEQLTXKNNC-UHFFFAOYSA-N 441.579 1.252 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286783849 NTSKISJNCJAYBP-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286784563 LXPBMPBYZBPCKR-UHFFFAOYSA-N 446.577 1.416 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286813740 ATVJYRSWYYIPEL-CHWSQXEVSA-N 437.488 1.652 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)NC(C)(C)C 1286819127 AXTWCQDOAMLLKQ-UHFFFAOYSA-N 434.566 1.600 30 10 IDEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCNS(C)(=O)=O 1292991413 KUWLTNBNLSPNAM-UHFFFAOYSA-N 432.550 1.699 30 10 IDEE CCCC(=O)NC[C@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1293782893 AFUZXPLQVLTBJR-ZBBYCGENSA-N 429.525 1.246 30 10 IDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298292675 QJVWQNPLSWTAPK-LSDHQDQOSA-N 449.515 1.492 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300502739 WJBOPIFXPNRJDO-MRXNPFEDSA-N 431.566 1.252 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cccnc1N1CCOCC1 1300666323 XADYUUCQSARDJR-HXUWFJFHSA-N 440.548 1.886 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1300885629 RHVDLMXYHTZMAL-ULQDDVLXSA-N 425.555 1.192 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300983274 WNDBZSLSGZXXEP-UHFFFAOYSA-N 436.582 1.737 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1301248455 DUWVHNVODWJHNO-UHFFFAOYSA-N 426.525 1.890 30 10 IDEE C=CCn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1301474011 QRBWYGUDHGKJFJ-VQIMIIECSA-N 427.571 1.224 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(OCCN2CCCC2)CC1 1301520697 MBWLEQOKDDIYGK-LJQANCHMSA-N 432.569 1.513 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1301553579 OOUONUPYTOILPL-MSOLQXFVSA-N 428.537 1.560 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1301952044 FYIFPCXPRIOJHI-WMLDXEAASA-N 432.912 1.873 30 10 IDEE CC(C)OCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1303566756 JZKDZLRIRSPRHH-UGKGYDQZSA-N 432.569 1.920 30 10 IDEE C#CCN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1303791813 CIXBCELXAMSKAN-INIZCTEOSA-N 434.518 1.209 30 10 IDEE Cc1c(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cnn1C 1304093233 WMABFVMTAPAEJO-CQSZACIVSA-N 429.506 1.372 30 10 IDEE COC(=O)[C@]1(N2CCN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)CCOC1 1307946338 WCZLRMWXNJNFBX-VGSWGCGISA-N 446.573 1.827 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1310013159 JIOZMXCGEHJMCM-HNNXBMFYSA-N 427.523 1.555 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)OC)c2ccccc2c1=O 1313964375 CFFDJNGRVVYUJJ-OAHLLOKOSA-N 437.504 1.829 30 10 IDEE CCO[C@@]1(c2nnc(N(CC)C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1314092223 IOBSMSLHISCCDI-OGLOHFSISA-N 432.525 1.691 30 10 IDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1314532800 COHMGXJGSPWWRZ-IBGZPJMESA-N 434.522 1.571 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1314728925 IEFORQKKUKPPPZ-SFHVURJKSA-N 434.504 1.833 30 10 IDEE C[C@H](OC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)Nc1sc2c(c1C#N)CCC2 1317824491 HUPLFIKFRHPTCH-LBPRGKRZSA-N 429.502 1.763 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1358890941 XKKODFOUHWVOIU-WMZOPIPTSA-N 430.578 1.928 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2Cc2nnn(C)n2)c1 1358902709 WUTKPPLSKZWXBU-UHFFFAOYSA-N 442.487 1.277 30 10 IDEE C#CCN(c1nnc(C)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358956566 HSXKYWIQNYDLJJ-AEFFLSMTSA-N 442.463 1.663 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1359022523 DCSGKPPNRYFYFP-NRFANRHFSA-N 443.529 1.062 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(O)CCN(C(C)C)CC1 1359025867 BFTUGFWKGANAAN-UHFFFAOYSA-N 426.565 1.585 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)NCC)c2)CC1 1359036862 LWQXXHZPCUBUSA-UHFFFAOYSA-N 443.555 1.817 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CC(OCC)C2)CC1 1359037035 SCBZVYTZMYNDBG-UHFFFAOYSA-N 445.514 1.832 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359300124 UOUPRBALXBNGDP-MSOLQXFVSA-N 432.569 1.811 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359302297 BQDCQJPTCLPZRB-FQEVSTJZSA-N 439.564 1.115 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1359305404 BWZYNDRHDJQUGI-VXKWHMMOSA-N 435.569 1.874 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2)C1 1359331684 GCWPBUABWTUPNN-QZTJIDSGSA-N 429.546 1.824 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1359357552 JCVLLVVNAFYOPZ-CVDCTZTESA-N 438.532 1.927 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2CC(=O)N2CCOCC2)CCOC1 1360331183 RLDSHLJDVVQEJQ-QFIPXVFZSA-N 446.552 1.308 30 10 IDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2OC)cc1 1435561441 DRJIVBVIUDFCCW-CABCVRRESA-N 434.474 1.824 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)C2=O)cc1 1463129973 SOTAUXYTVLXSGP-ZWKOTPCHSA-N 444.513 1.189 30 10 IDEE COC1(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CS(=O)(=O)C1 1463155814 QYPHYCUIUIVYML-RNFRBKRXSA-N 431.301 1.429 30 10 IDEE C=CC[S@](=O)(=NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccccc1 1463269545 GYBLOYWGAXVTDR-MUUNZHRXSA-N 429.483 1.951 30 10 IDEE N#Cc1c(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)nc2n1CCOC2 1463333846 HDEAXCLMKWGCFS-UHFFFAOYSA-N 443.261 1.786 30 10 IDEE Cc1cc(C(=O)NCC2CCN(CC#N)CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1465126903 NJABYNUCGGYTQC-UHFFFAOYSA-N 443.573 1.766 30 10 IDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)s1 1470572529 WYQJRWSQVZPTSW-UHFFFAOYSA-N 435.487 1.744 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1499949974 SKNQAPVGRRYXSX-HMFYCAOWSA-N 427.505 1.728 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccn(C)n1 1503441433 IPJDPHOSIDWEFH-UHFFFAOYSA-N 436.520 1.861 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(OC)OC)c1 1507516098 JSTHNWFVFBALQB-LSDHHAIUSA-N 435.550 1.686 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC 1507531322 CZMCXVHYUBUULO-INIZCTEOSA-N 431.566 1.345 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507635167 PZBSILPKIITTPM-WBVHZDCISA-N 435.575 1.297 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(OC)CCOC1 1507673672 YVIJHSJOFYSFJP-NRFANRHFSA-N 427.530 1.538 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cccn(CC)c2=O)CC1 1507736791 RYCIVYQCQBNYIS-UHFFFAOYSA-N 445.527 1.536 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1507740770 YVPWPBBMLLTLCB-RXVVDRJESA-N 436.560 1.902 30 10 IDEE C=C(Br)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507791965 CLZVHXARNXMBOB-XJKSGUPXSA-N 449.371 1.462 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1507867980 CHROSHWSEBINHZ-JKSUJKDBSA-N 445.973 1.165 30 10 IDEE C=CCCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507941477 KOGXTOHONOEMFR-MRXNPFEDSA-N 442.495 1.500 30 10 IDEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507947481 GHFXMJOZRQAJMK-UHFFFAOYSA-N 430.553 1.409 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)C1 1508109664 NCBOUHCIUOLOBN-IRXDYDNUSA-N 428.493 1.512 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC=C(C)C)C1 1508125098 NVUZIQVYFGGQSF-QZTJIDSGSA-N 439.582 1.749 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1508135149 FCDRZRZWHDXNFY-HOTGVXAUSA-N 440.591 1.804 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1508135654 MXEMTGJIQLIXLT-UHFFFAOYSA-N 435.525 1.725 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC(C)(C)O[C@]3(CCOC3)C2)nnc1C(C)(C)C 1508148030 FDJHYTYQSLFIGD-HXUWFJFHSA-N 426.583 1.951 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1508422953 FNKURXRCXJQHQN-WMZOPIPTSA-N 444.561 1.483 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCCC2)C1 1517021677 FSGJEYSKSMPIGL-UHFFFAOYSA-N 444.561 1.858 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1517611230 RWIAYQNJBKQNAW-NRFANRHFSA-N 425.493 1.084 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1520839258 MJVDIJVGJXGTFM-CALCHBBNSA-N 441.536 1.459 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cccnc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1539218658 BVCVGKKQNISYOD-KRWDZBQOSA-N 425.518 1.096 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539222185 UHOBVDZWZYWMMG-APTSRADASA-N 439.541 1.569 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC(F)F 1539266166 MSOCAGPDWAMJMX-UHFFFAOYSA-N 429.475 1.807 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 1539517101 IMRHJJYXXOAAEO-VQIMIIECSA-N 426.608 1.942 30 10 IDEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539802998 CUBFUSBLAFDQGA-MAUKXSAKSA-N 433.896 1.884 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1540870977 AYZFYKUKGPZQFK-NVXWUHKLSA-N 447.561 1.688 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCCC2)CC1 1540876917 GHPRKBVBLYCRPB-RXVVDRJESA-N 446.596 1.759 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C(C)(C)C 1540909130 YXHWEYXHDVOJDF-UHFFFAOYSA-N 425.599 1.871 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)NC2CC2)CCOC1 1541726158 UZOBMPYRYVVVJK-RTWAWAEBSA-N 434.516 1.819 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC(=O)NCCc2ccccc2)CCO1 1555993794 BSVIKFJTUABQSK-HXUWFJFHSA-N 431.500 1.352 30 10 IDEE COCCNS(=O)(=O)c1cc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)ccc1OC 1556446006 SLGGLHKRZFKLSO-UITAMQMPSA-N 436.461 1.980 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1556650418 OMLALHBSMAKQBK-KFWWJZLASA-N 449.451 1.078 30 10 IDEE N#Cc1csc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 1558600105 PZBNUQDUKZNHOW-JSGCOSHPSA-N 426.907 1.108 30 10 IDEE COC(=O)[C@H](Cc1cc2ccccc2o1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1560131835 LNTGVQSIQBDJBY-PMACEKPBSA-N 426.517 1.799 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](N3CCCC3=O)CC2)s1 1570321341 OBWRKHVQWDVFRD-HNNXBMFYSA-N 425.576 1.758 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F)C1CCOCC1 1585148570 CPLYFCRKIGSAFH-IAGOWNOFSA-N 428.551 1.770 30 10 IDEE C#CC1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 1585875911 GFCXMEABMJKAKN-UHFFFAOYSA-N 431.514 1.641 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1587856817 SFDODSLFVPTCPJ-IEBWSBKVSA-N 449.621 1.971 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN2CCCO)CC1 1588858013 WUKBZCKUCRVMCG-FQEVSTJZSA-N 443.621 1.236 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1589060228 PADKUYWROMZJLB-UTKZUKDTSA-N 429.521 1.833 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1589567167 AYLMGKDKSZUXMU-GGPKGHCWSA-N 427.553 1.823 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1593746447 FMTWUPBKVMLEAH-KRWDZBQOSA-N 441.598 1.830 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCN(CC)CC2)C1 1595713685 DHUUGTUOFGJZGL-TZIWHRDSSA-N 442.612 1.734 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1595760499 OCHGLWQBRATJKF-QGZVFWFLSA-N 439.607 1.759 30 10 IDEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1611608677 FDAXAOSXSYBKFA-QGZVFWFLSA-N 445.593 1.534 30 10 IDEE CCc1nnc(N2CCC(CN(C)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613971141 OPXJZJRQJOMFLL-QZQOTICOSA-N 429.569 1.924 30 10 IDEE Cc1c(C#N)c(=O)n(Cc2ccc(I)cc2Cl)c(=O)n1CCO 1614875231 IKYZPAZHGZVQHW-UHFFFAOYSA-N 445.644 1.489 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H](CO)CN1CCOCC1 1617388888 YGJDQSDQQUNJNR-UYAOXDASSA-N 444.532 1.202 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1619452900 GVXRCHZOVJUFPZ-AZYRPFHASA-N 445.545 1.896 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1620353738 SECPBSJAOXEZNA-IGGDJGDASA-N 425.493 1.438 30 10 IDEE C=CCCCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1620646757 ORHLTJAKNAURIU-UHFFFAOYSA-N 437.562 1.579 30 10 IDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1628351033 WOEYHDJXCYGODL-UHFFFAOYSA-N 425.501 1.533 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1630703668 GRTHLTDSZNUIES-QGZVFWFLSA-N 437.905 1.534 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1632247038 RZTDPBYMUGRHHK-INIZCTEOSA-N 430.571 1.024 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 1636475747 VUAIHUSGQILYLB-CQSZACIVSA-N 444.351 1.137 30 10 IDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)nn1 1638491849 RPMQGHZGQVDZMJ-UHFFFAOYSA-N 441.469 1.924 30 10 IDEE CCNS(=O)(=O)c1ccc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1639054217 BTEVGIRJQZICOZ-UHFFFAOYSA-N 445.497 1.431 30 10 IDEE Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646146552 ADGGBWUSQRBKDB-UHFFFAOYSA-N 430.827 1.596 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1649668922 IBDODKYFBPVLFV-SKOAFDGASA-N 430.509 1.171 30 10 IDEE CN1CC[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](c2cnn(C)c2)C1 1651223773 UOELBHSRHVMEPM-RBUKOAKNSA-N 425.489 1.360 30 10 IDEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1654860391 BGBSWUDDRVXZTE-PMPSAXMXSA-N 440.504 1.394 30 10 IDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1664764352 HJUSDHBQOKMLTQ-BRWVUGGUSA-N 428.576 1.670 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1670894365 VAENCHOYOUDCIG-KRWDZBQOSA-N 430.548 1.647 30 10 IDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1685441502 OQSYBHROEMBFJT-UHFFFAOYSA-N 426.568 1.351 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCc2nc(C#N)cs2)C1 1685441790 ZZHDXBZMWIAZLA-CYBMUJFWSA-N 436.538 1.577 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1690053815 IZLSZDNLMIJAEE-MRXNPFEDSA-N 445.570 1.167 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOCC)CCC2)CC1 1690109480 SRHJANUWOXGOSF-UHFFFAOYSA-N 428.581 1.866 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOCC1 1690254573 CYZBUTCLQKLNEU-MHTWAQMVSA-N 449.596 1.752 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1 1690683490 MCONSPHIFSUKBN-IRXDYDNUSA-N 445.545 1.105 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)C1 1690686270 LEBQBVFLHBIRPN-ZBFHGGJFSA-N 449.533 1.447 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F 1694314586 DMQFFJNGCKJBBC-UHFFFAOYSA-N 429.447 1.615 30 10 IDEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1=O 1695866548 WMFKVXIDRILJRF-UHFFFAOYSA-N 426.521 1.950 30 10 IDEE CN(OC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1696848214 OGDCZTYIPJWZTE-UHFFFAOYSA-N 448.549 1.931 30 10 IDEE COc1ccc(OC)c(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1697473050 AUUIRHCBEJRYRO-ROUUACIJSA-N 440.504 1.608 30 10 IDEE COCCOCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1698216550 OHUYJGCKQSKVLE-XLIONFOSSA-N 443.504 1.963 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705572080 QCJOUCYAUBIVQB-UMWAFNGASA-N 440.591 1.058 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CC(OCC)C1 1705628886 ROZORRQEOSRQRC-GTPZEUEISA-N 442.516 1.807 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1705725547 HLBIEWZELDELJR-QFBILLFUSA-N 447.561 1.975 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCS2(=O)=O)CC1 1705776642 LHRFOJIPGYBFJH-HXUWFJFHSA-N 439.582 1.368 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 1705894745 JRAGDUWMOZHUMK-UHFFFAOYSA-N 443.508 1.063 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705907678 UAYQMFQJLLYMOB-SFHVURJKSA-N 443.552 1.216 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1705919959 NMEGJRVHDQPVLW-FQEVSTJZSA-N 434.504 1.772 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705940024 SQQCBWCQAGEVCT-HUUCEWRRSA-N 442.611 1.009 30 10 IDEE Cc1n[nH]cc1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1706999864 HIGCKJUXFLTDIN-UHFFFAOYSA-N 434.504 1.672 30 10 IDEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)cs1 1708994951 BYRGIHRVNUNHOP-ZVZYQTTQSA-N 432.550 1.992 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@](C)(O)c2ccccc2)CCOC1 1710482624 HXCSQKBUIXMQRF-WTIAFYNJSA-N 441.532 1.957 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1711418213 IJQLCLHWVNESIO-FQEVSTJZSA-N 430.534 1.373 30 10 IDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)C1 1711613669 FRGNBJAZTPZZJJ-UHFFFAOYSA-N 445.545 1.921 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O 1712453105 AYMRYUHYGWBCDC-JOCHJYFZSA-N 440.504 1.561 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1722291098 CTAVXAFSUFZUMU-MRXNPFEDSA-N 437.573 1.699 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1722387614 IRQQIKFLLGMKLG-QZTJIDSGSA-N 436.578 1.331 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)nn1C 1722419402 ACPSDTIISVYOQC-UHFFFAOYSA-N 442.545 1.525 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1722474947 QWHPHQDOXUOLSG-FXAWDEMLSA-N 436.578 1.616 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722598414 GQCYGPOYSHSWTL-UHFFFAOYSA-N 431.585 1.517 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1729338822 FZPNXKPXODOONU-QFIPXVFZSA-N 426.521 1.391 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740570432 DTESHMMXKHGMDU-IAGOWNOFSA-N 440.552 1.861 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1740717106 JSABPAUUZCHSLH-IRXDYDNUSA-N 447.586 1.599 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CCC2)CC1 1740833749 XLJYUZHSTMCBLQ-ASHKIFAZSA-N 429.612 1.592 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1740962781 OOYJOYPSOVDRJT-UHFFFAOYSA-N 435.532 1.744 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1 1740964197 KKVLRXKTOCTGQX-UHFFFAOYSA-N 438.454 1.686 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740991158 PLUCZOFNTSBWDM-ROUUACIJSA-N 439.582 1.078 30 10 IDEE Cc1cn2c(n1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N)CCC2 1742499722 FNVPGQPDYDLUIH-KBMXLJTQSA-N 434.570 1.567 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)CC3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742686828 ZVCHIOFWHGXXCQ-MRCUWXFGSA-N 438.536 1.902 30 10 IDEE CNC(=O)c1cccc(CCn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)c1 1748157255 MCFAFWGEIKMBIN-VQIMIIECSA-N 442.520 1.333 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@](C)(O)C(C)C)CC1 1749342439 FTDOJRXHILUSBM-PXNSSMCTSA-N 441.598 1.420 30 10 IDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1749627452 NXZPMFBDDPVZQE-KRWDZBQOSA-N 427.571 1.235 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)NC(C)C)cc1 1749684206 SZLCNINHWWIOGA-SFHVURJKSA-N 426.521 1.803 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)C1 1749696171 ANHJNFCSUCFOOS-JXXFODFXSA-N 441.598 1.611 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2C1 1749734055 DQBMJZBQUJWGAV-QGZVFWFLSA-N 436.559 1.301 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)cn1 1749854785 BHMIOXZXPIMAPJ-UHFFFAOYSA-N 434.504 1.376 30 10 IDEE COCCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1749917832 MMPLHNBFOIATAC-KRWDZBQOSA-N 442.520 1.664 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2CCCCCCO)cc1 1750384908 USYQQAPDIXYPSC-HXUWFJFHSA-N 440.548 1.802 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCC(F)F)n1 1751852780 OOMGCSFLHRALRM-QGZVFWFLSA-N 434.495 1.598 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760183407 OVELQZNKSQVBJN-QGZVFWFLSA-N 438.538 1.948 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760189774 WRJBWACWLKQXEX-QZTJIDSGSA-N 430.530 1.466 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1760248715 CVVZRKCWSIGEQJ-INIZCTEOSA-N 436.509 1.484 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)c2)CC1 1760252473 QNFJCLMYCXITDJ-UHFFFAOYSA-N 433.520 1.047 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCOC[C@@H]2C)CC1 1760261766 BQJSOSNSWXLHEN-FQEVSTJZSA-N 438.576 1.353 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1760270448 XRXCFWSCKVOHMV-PKOBYXMFSA-N 444.580 1.443 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760308065 XGVMQHWGTMUAPL-ZBEGNZNMSA-N 425.287 1.169 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 1761363191 LJCGGGSTEFUQLY-LSDHHAIUSA-N 437.526 1.018 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1770204826 RNHQISXUAZSOLS-OGNFBWPZSA-N 437.566 1.567 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1-n1ccnc1 1771222827 MUNRZQUCOIBYRD-MJGOQNOKSA-N 437.504 1.965 30 10 IDEE COCCO[C@@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ncn(C)n1 1771229296 NXSNKQILILIBHR-UHOSZYNNSA-N 436.520 1.922 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(F)cc3F)C2)CC1 1857042226 UMARFGMETFYLKK-HNNXBMFYSA-N 425.457 1.448 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869932283 ZAYMKGMWGRNGFK-ROUUACIJSA-N 430.530 1.628 30 10 IDEE COCCOCC(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1C[C@@H]1CCCO1 1873710346 AWFZDQISUNDQEA-AWEZNQCLSA-N 431.514 1.808 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1CNC(=O)OC(C)(C)C 1987531504 VRLDSKXYVSUJQJ-ARFHVFGLSA-N 425.526 1.780 30 10 IDEE C=C(CNC(=O)[C@@H]1[C@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2020853263 NFEWTJOCGDOQOK-SOUVJXGZSA-N 426.319 1.021 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624477 YMCLBFYHVPWCDB-RHSMWYFYSA-N 434.342 1.876 30 10 IDEE C#CCn1ncc(NC[C@H]2COCCN2C(=O)OC(C)(C)C)c(Br)c1=O 2106032823 OKBSLZFMIZGTJJ-LBPRGKRZSA-N 427.299 1.687 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1cccc(C#CCCO)c1 2178285064 HYCOZQWIYBUPAQ-UHFFFAOYSA-N 426.494 1.179 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C=CCN1C(=O)OC(C)(C)C 2255638717 BLMBOGRKASHIQF-AWEZNQCLSA-N 432.330 1.625 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255695039 XRTFNDFJOQEPMH-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 2255875260 VJUMUGUXQYNGIT-GOSISDBHSA-N 429.248 1.607 30 10 IDEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)Cc1ccccc1 2255948938 RIZMXQZLFMEKTQ-MRXNPFEDSA-N 448.398 1.518 30 10 IDEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267010240 RTPSLBYHSFPJOX-LSDHHAIUSA-N 448.373 1.952 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)n1 2267178331 AIUXVFVTMKYGLQ-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE C[C@H]1CCN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H]1NC(=O)C(F)(F)F 2267182801 BBEQQYRVZJXJFQ-RYUDHWBXSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267286302 NQYHCPQJCSHMCQ-UHFFFAOYSA-N 447.341 1.776 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267598417 ZPBDDIHTVUNDQN-TZMCWYRMSA-N 443.275 1.996 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267606456 XWGSBGJCGMJLQY-OFQRWUPVSA-N 444.341 1.761 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2301660775 FSMPTFUGRHJJPE-GFCCVEGCSA-N 441.359 1.712 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2312850997 FYPBQHXCSCRYRP-YDHLFZDLSA-N 432.330 1.694 30 10 IDEE O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN[C@@H](C(=O)C=Cc2ccc([N+](=O)[O-])cc2)C1 2328106976 GEHGACARJUFSGH-UYAOXDASSA-N 436.468 1.844 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2337206774 SFMHOXRSHFPFSM-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE COC(=O)C1=CN2[C@H](C(C)=O)[C@H](c3ccc(Br)cc3)[C@@](C#N)(C(N)=O)[C@H]2C=C1 8781301 VHFCSBCOOHCAMV-YZLZLFLDSA-N 444.285 1.796 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 479998536 ASWDSFHXBSLEQZ-AWEZNQCLSA-N 438.534 1.687 30 10 IDEE CCOC(=O)c1c(NC(=O)NC2(CO)Cc3ccccc3C2)c(C#N)cn1CCOC 481397427 DTPGBKHIOXCCDN-UHFFFAOYSA-N 426.473 1.834 30 10 IDEE N#Cc1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC3CCCCC3)c2=O)s1 484427017 DMQRHCASSOHDSV-UHFFFAOYSA-N 441.578 1.880 30 10 IDEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(c2ncccc2C#N)CC1 486635429 ZMGJBRZPJOYAQB-OAQYLSRUSA-N 434.475 1.970 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)c1 486654018 QVEVUIOGFWZMNH-GOSISDBHSA-N 427.482 1.733 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3cnn(Cc4ccccc4)c3)n2)cc1 490727225 AESMPNWGCCUKQU-UHFFFAOYSA-N 440.467 1.698 30 10 IDEE CN1CCN(C(=O)c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 504095880 ZYOIQOCLEDBLRU-QHCPKHFHSA-N 428.533 1.952 30 10 IDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 508800093 DNPNIBCWHUTDBM-HNNXBMFYSA-N 437.508 1.940 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 522890862 SOFRBKGKAMOQIV-CQSZACIVSA-N 436.540 1.350 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(CC(C)C)cc2)c(=O)n1C[C@@H]1CCCO1 532032540 NHDJRVPYTPHAEK-SFHVURJKSA-N 425.554 1.536 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccccc1C#N 534401772 QKOYTNYNMWZLIS-UHFFFAOYSA-N 448.454 1.831 30 10 IDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 540123273 PPGCENBKHVUHFY-KBXCAEBGSA-N 431.518 1.176 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542013283 QMULYAUSAMCNJF-UHFFFAOYSA-N 433.511 1.788 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)cc1S(=O)(=O)NCC#N 552798448 OPUGILJVIAJURQ-INIZCTEOSA-N 427.548 1.226 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2ccnc(OC(F)F)c2)n1 556549786 OPFIROSFFUADMH-UHFFFAOYSA-N 430.346 2.134 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(OC)cc2C1 570247658 IIALVXHQDVONJV-SFHVURJKSA-N 433.534 1.368 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(F)(F)F)CC1 573380801 BGKZHLWIJWKWMN-CQSZACIVSA-N 437.488 1.966 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)n2)c1=O 581978453 SJYKJRGILQGEGQ-UHFFFAOYSA-N 427.526 1.612 30 10 IDEE N#Cc1cccc(C(=O)NC2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)CC2)c1 586103766 FKYKMWFPOVMLCC-UHFFFAOYSA-N 426.454 1.988 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 603801169 ZCRSLELKIDWNPD-HNNXBMFYSA-N 442.497 1.025 30 10 IDEE CN(C)CCn1cc(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 610478230 UFZZEKUWNQZYSD-UHFFFAOYSA-N 439.499 1.978 30 10 IDEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 729331376 OBVIHGUBMUJCOY-GOSISDBHSA-N 438.571 1.053 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 731887793 FCAIOPUPTBQJTP-ZZEZOPTASA-N 432.502 1.117 30 10 IDEE COc1cccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 732494296 DGEGTUXHFXFUBH-TZIWHRDSSA-N 446.463 1.818 30 10 IDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)CCCOc1ccc(C#N)cc1OC 735769476 VTEVEYQYWXIRMG-OAHLLOKOSA-N 439.490 1.114 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1OC 742175173 ULWUWWUDLIXQJZ-UHFFFAOYSA-N 430.486 1.185 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 748064665 XYPBMBVBABWSIK-UHFFFAOYSA-N 440.521 1.590 30 10 IDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)c1 761250418 AFSBDQDWNBJVLD-UHFFFAOYSA-N 427.482 1.942 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2[C@@H]3CCCO[C@H]32)CC1 780123748 QZZUWPAFSOQUNE-MORSLUCNSA-N 426.429 1.423 30 10 IDEE Cc1ccc(NC(=O)COC(=O)c2ccnc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 795965668 AUCZADLBPYGSPR-UHFFFAOYSA-N 444.469 1.078 30 10 IDEE CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)ccc1OC 806803866 AVCKCVSLQYWDLZ-IRXDYDNUSA-N 438.550 1.989 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 807366730 HNCUKBKHWIXGNB-MRXNPFEDSA-N 448.524 1.095 30 10 IDEE C=CCC1(S(=O)(=O)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 810985420 LGARMDHSROEIEP-CQSZACIVSA-N 431.536 1.247 30 10 IDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC)[C@@H]1CCS(=O)(=O)C1 812041673 ZNAFHKPTFBIQBO-QGZVFWFLSA-N 429.550 1.099 30 10 IDEE C#C[C@@H](NC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12)c1ccc(F)cc1 812747668 AZBIPGXXHONNRI-CQSZACIVSA-N 428.497 1.527 30 10 IDEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 825186091 VYTYIBKCSMBUTN-KRWDZBQOSA-N 438.546 1.986 30 10 IDEE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1/N=C\c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 1082567442 WJHCKBGRAPMEIX-XNPQIMDCSA-N 428.681 1.666 30 10 IDEE COC(=O)CN(CC#N)C(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 1126371713 XRFHUHSCXJPTIH-UHFFFAOYSA-N 441.440 1.860 30 10 IDEE COC(=O)c1coc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1136149455 KZBWZQYUAYSVFI-DAXSKMNVSA-N 429.454 1.484 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)Cc1ccccc1 1153767636 AYDJUIWGYARKMC-MJGOQNOKSA-N 429.542 1.860 30 10 IDEE CNC(=O)c1cc(O[C@@H]2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)ccn1 1171658678 KAUCTHQWSNZZKV-GOSISDBHSA-N 428.514 1.630 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccc(C)cc3C)c3c2CCC3)CC1 1175514756 HLHQQQXKVUTCAM-UHFFFAOYSA-N 441.557 1.203 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC=C 1286289002 IYTFPYGQOOFPDR-AWEZNQCLSA-N 426.502 1.653 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@@H]2C)c1 1286307801 AUTZABDYXJRFGB-ZOBUZTSGSA-N 444.561 1.601 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C(F)(F)F)n1 1286360553 HFGYLDJBJGSYEO-LBPRGKRZSA-N 446.455 1.451 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1286382440 JFSWBMHZHDSLMU-LAUBAEHRSA-N 438.594 1.993 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1286411148 ZLXIIQYFAZYFGM-OAQYLSRUSA-N 435.528 1.974 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccccc2F)CC1 1286481401 VEYCZOFTWZNJML-SFHVURJKSA-N 440.523 1.496 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286535558 CBUXHPICCBOMLO-UHFFFAOYSA-N 448.304 1.843 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(N2CCCC2=O)CC1 1286819071 YUTAQEBBHBYTPP-UHFFFAOYSA-N 444.561 1.532 30 10 IDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1287083696 URHPMHBTMGVHNY-CALCHBBNSA-N 431.518 1.592 30 10 IDEE CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1287248653 FIXISVIXQMSIPU-SFHVURJKSA-N 432.550 1.903 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)cc1 1299406052 FXTQUDMVEHIZRF-UHFFFAOYSA-N 444.289 1.921 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)C[C@H]1O 1299412554 PVRKWPLBXAXGFQ-WOJBJXKFSA-N 439.516 1.994 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1300479038 HCDUYCFCKHQSAC-PMPSAXMXSA-N 425.530 1.181 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1300649446 MZBGVLIPNVIXBJ-OAQYLSRUSA-N 432.521 1.559 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCc2n[nH]c(C)n2)CC1 1300719360 YBYIXDMBEHRWGX-UHFFFAOYSA-N 448.531 1.589 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300983472 JCARTSAVPIJEFJ-SFHVURJKSA-N 449.581 1.276 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCC)CC1 1301584943 GROVSDRDIIRNHI-DLBZAZTESA-N 439.582 1.616 30 10 IDEE CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cc(C#N)cs1 1308114528 SGTVMLQPSUQYAY-UHFFFAOYSA-N 448.570 1.389 30 10 IDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 1309859128 GGPOHANSBILPKZ-HXUWFJFHSA-N 446.960 1.875 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(=O)N(C)OCC(F)(F)F)cc1 1310131271 LPSKGXSFYDCKEF-UHFFFAOYSA-N 438.428 1.567 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1 1310131999 XGQDCSVVJHXZAX-IAGOWNOFSA-N 427.548 1.677 30 10 IDEE CCN(CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1313722421 ZGLQLXLLZBEUKA-NSISKUIASA-N 440.548 1.907 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1314138049 HYCBYHDUQDIMQI-VGOFRKELSA-N 444.536 1.600 30 10 IDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1314564117 NYAQVSXVQYFXOB-WRGVRERRSA-N 428.518 1.616 30 10 IDEE COc1ccccc1-c1nnc(N2CCOC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1315608368 GYRAHETWFJROMA-RLBWVDARSA-N 438.488 1.705 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCCC)cc1 1358949346 ZCLQCFCWSHATQC-LJQANCHMSA-N 447.561 1.518 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1358986786 HNWOBXBAIIWWSY-UHFFFAOYSA-N 443.511 1.657 30 10 IDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1359012445 MIGBZJPVMQKHTO-UHFFFAOYSA-N 426.546 1.845 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(O)CCC1 1359015449 TVZYQIAHJNMJNR-MRXNPFEDSA-N 449.552 1.972 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCOCC1 1359018291 KXAVKUMFCZKHEZ-UHFFFAOYSA-N 444.561 1.924 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1359035586 YEBIJLGBRKENDJ-PCCBWWKXSA-N 430.597 1.427 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2CCN(C(C)=O)CC2)CC1 1359046663 AWGIETRQQAVLMC-UHFFFAOYSA-N 426.565 1.455 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1359073098 CFRAWNZXRQIYHV-JOCHJYFZSA-N 441.557 1.867 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC=C(Br)C2)nnc1[C@@]1(OCC)CCOC1 1359305550 GMYOCZJWGKQKPO-GOSISDBHSA-N 440.342 1.721 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1359306532 JSULTCAUTFIQML-MGPUTAFESA-N 448.524 1.943 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1359459828 WNBDBIOIHVMMLA-FQEVSTJZSA-N 437.548 1.897 30 10 IDEE CC(C)CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1359888614 GQVJLJHBBLCARC-IIBYNOLFSA-N 427.509 1.841 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1360480618 DEDSZDSYEOKDAX-NVXWUHKLSA-N 428.518 1.902 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1360480620 DEDSZDSYEOKDAX-WBVHZDCISA-N 428.518 1.902 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)NCCc2ccccc2)ccc1F 1436261244 LWTBTEJCVOHSRE-HNNXBMFYSA-N 433.505 1.767 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C1 1446245063 OUCANVCOELYRRS-CQSZACIVSA-N 427.324 1.036 30 10 IDEE CCN1CCN(C(=O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1457840935 RNWWVVOUSWAIBZ-PSCUFVCCSA-N 433.553 1.054 30 10 IDEE COCCN(C)CCN1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1=O 1468671639 YVMFDUPCDYBRPL-LJQANCHMSA-N 437.500 1.654 30 10 IDEE C=CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1470436023 XDFHEZXWCOUKQF-KRWDZBQOSA-N 437.537 1.863 30 10 IDEE CC(C)(C)c1csc(CC2(O)CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)n1 1471185043 KJSOGUNKKSAPOI-UHFFFAOYSA-N 431.518 1.171 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC#N 1503283561 GIPCWRAWHLVANU-HNNXBMFYSA-N 430.538 1.194 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1503365595 RGLCMJNRZFGIIL-JOCHJYFZSA-N 437.504 1.716 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507626221 DMLBGMJHTOAJBK-WMZOPIPTSA-N 431.562 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)(C)O 1507645414 ZFATWOHAYAYRGB-UHFFFAOYSA-N 429.546 1.429 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCS1(=O)=O 1507654914 UUEUWWMIRUZJRG-UHFFFAOYSA-N 441.557 1.582 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1507663798 CKUCGNLEGUTRCX-QGZVFWFLSA-N 442.541 1.860 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1507672388 ZIMPLGGVBSKMIA-IBGZPJMESA-N 447.605 1.900 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(S(C)(=O)=O)CCC2)CC1 1507723087 UKDISBQVQPWOQI-UHFFFAOYSA-N 431.537 1.807 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1507772426 KLQIBKJTGLQDGQ-LAUBAEHRSA-N 435.594 1.283 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCN(CC)CC2)C1 1508125536 RRXJVPBLMRBIMF-NHCUHLMSSA-N 432.613 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508138254 ZAXMIXFRCKSMMM-GOSISDBHSA-N 446.577 1.684 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1ncc(Cl)n1C 1508144991 VUAADSNREQYMGD-UHFFFAOYSA-N 449.968 1.888 30 10 IDEE CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1508239559 UKVMCUVMBGBTBY-AOMKIAJQSA-N 442.520 1.889 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNS(C)(=O)=O 1508585302 XEPUOKDJJWVFFX-UHFFFAOYSA-N 447.565 1.341 30 10 IDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508734509 DPZPTSMHPBUNLQ-QGZVFWFLSA-N 433.534 1.513 30 10 IDEE CCc1nc(C)c(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)o1 1513730165 PMAGCNYORQJJPV-KKSFZXQISA-N 430.509 1.955 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1516792587 BESUPGZZKLEDRY-HXUWFJFHSA-N 433.534 1.493 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2ccccc2OC)nnc1N1CCC(CC#N)CC1 1516855219 HSFCULBXTPQDRZ-UHFFFAOYSA-N 446.577 1.947 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncn(CC(=O)OC(C)(C)C)n2)ccc1F 1529961055 AOVIPKGBCAQLGK-UHFFFAOYSA-N 439.469 1.476 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)ccc1F 1532976216 UBVCKTSENYYWPB-UHFFFAOYSA-N 448.476 1.410 30 10 IDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539077812 KUZMXBWVQOJICE-UHFFFAOYSA-N 441.561 1.958 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1539210102 AQBBZLQXHIZBPD-JMGYQRAPSA-N 438.550 1.480 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539222179 UGMFKGKNYOFJPU-QZTJIDSGSA-N 444.561 1.306 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1539370794 ZSEZWNQYKNGEDD-QGZVFWFLSA-N 432.546 1.900 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCC)CC1 1539460049 TYODRNFKAFAJGT-UHFFFAOYSA-N 434.548 1.737 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2C)CC1 1539488982 PJCQRPXNZXZSPT-UHFFFAOYSA-N 448.571 1.917 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539517210 KBEKGBSKWACPNJ-SXLOBPIMSA-N 446.621 1.137 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1539611682 CHWDMYHEPXRFLY-NTDBWNAOSA-N 430.553 1.645 30 10 IDEE C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1540856786 PYBTTYBDFNETFN-BMFZPTHFSA-N 448.549 1.586 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1Cc1ccccc1 1540871939 YCEHMYRHGZKMJE-OALUTQOASA-N 443.573 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1540901394 BZAKGOIKCOUHBU-CQSZACIVSA-N 430.534 1.727 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(N)=O)c1 1541798265 FZMWABBBSBNESR-HNNXBMFYSA-N 425.493 1.165 30 10 IDEE COc1ccc(-n2cc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)nn2)cc1 1545463805 DMEUKOKRJJNOKH-UHFFFAOYSA-N 429.433 1.642 30 10 IDEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555497106 SNDGZBKZYLTRFA-RTBURBONSA-N 445.545 1.666 30 10 IDEE C=CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(=O)OCC 1556153990 OQQNYJIRNUCEMW-AWEZNQCLSA-N 430.548 1.379 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)CC2)o1 1558075604 CUQWQLBJLGTYNB-UHFFFAOYSA-N 429.502 1.303 30 10 IDEE COC(=O)C1CCN(CCCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1565615479 AVAUWELTYNLHPQ-UHFFFAOYSA-N 435.546 1.769 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nnc(S)n3C)C2)s1 1565668893 UEJGXGYPTCELCM-LBPRGKRZSA-N 441.604 1.578 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn(C2COC2)nn1 1587581084 VMHOGVVXIVNQFL-AWEZNQCLSA-N 441.517 1.018 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cnn(C)c2C)c1 1587693134 PPIQOWNDSIPGNR-SFHVURJKSA-N 433.516 1.928 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1588053854 INCNNLWWPKXQSP-ZWKOTPCHSA-N 446.577 1.197 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1588836086 DZFYDFLQJVVBGP-UHFFFAOYSA-N 429.590 1.847 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588871519 GFFZXZCCWANORE-VGSWGCGISA-N 429.496 1.291 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1595506729 KWZGNJJJMTVJTP-IYBDPMFKSA-N 447.971 1.841 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(F)cc(F)c(F)c1F 1609507384 QXSUHBBYYDYDDZ-JTQLQIEISA-N 426.374 1.750 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1611772234 OKEVZEIPJKJUAT-KRWDZBQOSA-N 448.593 1.617 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1618653273 DWBLQPWAGCULSC-KRWDZBQOSA-N 439.520 1.169 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)n1 1618759873 UFEWISWHCJMJEP-SFHVURJKSA-N 431.537 1.628 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1619989619 HTJQWTSATJSETB-UGNRZPKXSA-N 438.548 1.943 30 10 IDEE COC(=O)c1coc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1623562509 DHOJWGJKKJPXHZ-UHFFFAOYSA-N 431.470 1.655 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nn(C)cc1Br 1624485775 YMNGJOFAYUUYGM-JTQLQIEISA-N 426.296 1.037 30 10 IDEE C#Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)cc1 1627887686 OUDORZSOMVUFSJ-UHFFFAOYSA-N 430.486 1.991 30 10 IDEE C=C(CCC(=O)OC)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1629606323 BYMXIVWPDVWHFB-UHFFFAOYSA-N 440.518 1.483 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1632367087 FWINZIKNGQPFQI-MRXNPFEDSA-N 435.322 1.465 30 10 IDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)NC(=O)OC(C)(C)C 1636169215 AFCGPAGNOPXQRP-UONOGXRCSA-N 438.550 1.923 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3ccc(Br)cc3c2)CC1 1636480051 JWIZJLUKFWFDTH-UHFFFAOYSA-N 436.331 1.828 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1643881189 GYCBFBVEWLKYFE-IDHHARJASA-N 447.538 1.346 30 10 IDEE N#Cc1ccc([C@H](O)CN2CCN(c3ncc(I)cn3)CC2)cc1 1644070171 RNKUCLVSNOEQNK-MRXNPFEDSA-N 435.269 1.808 30 10 IDEE Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1644133989 VQFSRADTDXVBRE-UHFFFAOYSA-N 432.864 1.824 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1652012520 AZYPNNQQFJBIRK-PVAVHDDUSA-N 444.937 1.478 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H]3CCC[C@@H]3C#N)CC2)c1 1654477391 DHAZRQZWDFWHKG-UYAOXDASSA-N 432.546 1.346 30 10 IDEE CN1CCN(C)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1654898068 QMTCOJAJXXNMLH-LJQANCHMSA-N 442.608 1.535 30 10 IDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(Cl)c1 1655176344 HZJUTSHYWUUKCJ-AWEZNQCLSA-N 445.907 1.034 30 10 IDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1673983437 DMYHMPMGICAKKG-ZDUSSCGKSA-N 435.326 1.876 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1674945787 LVYPCXULKQOEBS-HSZRJFAPSA-N 436.560 1.927 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)CC1 1681962459 ASQMOGIEZWLEPA-OAHLLOKOSA-N 435.525 1.043 30 10 IDEE C#C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(Cl)cc1 1683502412 MHOGHOZISYJFPX-MSOLQXFVSA-N 425.938 1.850 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1689865479 VWJOEAIHPGQPPU-QGZVFWFLSA-N 427.505 1.573 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1689985718 AHBLCBDTBZVGBT-KRWDZBQOSA-N 425.518 1.232 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccn2)CC1 1690155545 LAWJMWXQNBTMRJ-UHFFFAOYSA-N 442.593 1.680 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690156699 ZSSYIIZSLQMWMO-IJEWVQPXSA-N 427.596 1.258 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1692503188 ZHABNXNKEMMXBT-QHCPKHFHSA-N 435.532 1.935 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1696749862 LLANSCGCGDWENF-QQMHEVNUSA-N 437.504 1.872 30 10 IDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C1 1697217969 CXBMVINFMBNBFY-UHFFFAOYSA-N 440.548 1.801 30 10 IDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1697665632 HXYWUIJDAWXRBZ-MRXNPFEDSA-N 434.447 1.725 30 10 IDEE COCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1698000462 MHBCGSNDIXPJJA-QGZVFWFLSA-N 428.541 1.449 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOCC1(C)C 1705550002 PZGZJUKVZZZNDL-UHFFFAOYSA-N 435.532 1.372 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1705562279 ZGYVUVLOIMWSOU-MRXNPFEDSA-N 444.623 1.417 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCCCO 1705700785 YNNZTRGBLODVAG-SQNIBIBYSA-N 426.583 1.760 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1705703224 RZGRWYPVXMGPRB-AOIWGVFYSA-N 426.583 1.852 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705739258 AGCKTNLETVXYLK-HNNXBMFYSA-N 446.533 1.503 30 10 IDEE C=CCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705794115 WFCHNWHYDJSVER-IBGZPJMESA-N 436.560 1.813 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705829212 KOQVJCCRVDOCKY-SFHVURJKSA-N 442.495 1.814 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@@H]2OC)C1 1705928719 HGDKQZVNQNCCLV-ZCNNSNEGSA-N 430.553 1.973 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C 1706748051 FRLYLTBCOODRMO-HNNXBMFYSA-N 446.581 1.845 30 10 IDEE C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncn(C)n1 1706920445 FFXHHMFDXDIINZ-CZUORRHYSA-N 428.884 1.977 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1709185722 CBXDTUFIMFBJOV-ZQHDKMAOSA-N 426.546 1.833 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1712880318 FARLKVMVBYIFGZ-HOCLYGCPSA-N 432.431 1.465 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1722402114 HEGJOUOQXQWCDB-ZIAGYGMSSA-N 436.607 1.977 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNC(=O)C(C)C)CC1 1722435652 MCBWVQSBJPBVHC-UHFFFAOYSA-N 440.548 1.490 30 10 IDEE C#CCSCCn1c(Cc2ccsc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722462489 NHCVTPVMMKTZST-QGZVFWFLSA-N 434.612 1.924 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722705827 IKLRFFWTHXMFQZ-HZPDHXFCSA-N 431.424 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1722730254 MRAZAXXGEARCME-QGZVFWFLSA-N 431.562 1.331 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OC2CCOCC2)c1 1729077334 HHZDIRSJDJHWDT-SFHVURJKSA-N 428.493 1.544 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)COCCO1 1729397578 XHLMOXCLULQAPP-WIYYLYMNSA-N 445.545 1.494 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1729723794 KXACECDQWGNCMN-HNNXBMFYSA-N 441.492 1.142 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCc2ccccc21 1730879328 ZXJDQMBQSCDOPM-CDMIOBSGSA-N 427.505 1.565 30 10 IDEE COCCOC1(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1730883426 KHWVSHQZRIGFQC-IBGZPJMESA-N 442.520 1.205 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(Cc3ccncc3)n2CCOCCCO)CC1 1731185156 SEMAXMCTONHWFV-UHFFFAOYSA-N 448.531 1.256 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)CCO1 1731190074 ORVUOILELRKPSC-WMZOPIPTSA-N 433.509 1.681 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740575399 RIJAYSCLUBZFSA-UHFFFAOYSA-N 437.548 1.642 30 10 IDEE C#CCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740589154 PVAWQGVNZLFDOR-ZACQAIPSSA-N 449.577 1.695 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1740620600 FHLGQAXPNLMAFO-KRWDZBQOSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1740624945 LKVRDXGRYZUHEK-KRWDZBQOSA-N 431.587 1.786 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1740698326 DHBDMDBDVPXLBP-IFMALSPDSA-N 425.581 1.956 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC(C)C)CC1 1740825259 LBOMZTSKRIONTN-SFHVURJKSA-N 441.598 1.973 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1)C1CC1 1740909822 AQRQUWWDOXHHBV-BFYDXBDKSA-N 427.546 1.904 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C 1740924347 NUTNMXQOYXCXKX-HXUWFJFHSA-N 443.596 1.212 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C 1740924612 XIBVOKXAPQFXHA-OAQYLSRUSA-N 445.612 1.859 30 10 IDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740947075 NSZRBHXXWBXHOV-DLBZAZTESA-N 425.555 1.337 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740989429 MQSYVOSKTVALIE-XGHQBKJUSA-N 447.561 1.714 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)C1 1741983144 GXIXNMUYSBGMFO-QGTPRVQTSA-N 425.580 1.178 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1747675213 MDMPIJQOJYAZFL-UHFFFAOYSA-N 437.508 1.256 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1748811076 BEXYHEHITBNVQV-QGZVFWFLSA-N 439.545 1.797 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1748843616 HJAJHJOXVVPPJD-KNQAVFIVSA-N 429.590 1.800 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1748892166 JZLKMDZHKCIWQT-LJQANCHMSA-N 439.541 1.650 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1748928952 BXKBFPXDCJVDMB-UZRURVBFSA-N 429.546 1.784 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)CC1 1748984360 KXMIVOSVIXHHHB-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)[C@@H](C)CC)CC1 1749016517 FUHGDQHEGUQUBK-IBGZPJMESA-N 437.592 1.960 30 10 IDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749043119 AITPLNUJAJZFMB-MRXNPFEDSA-N 431.591 1.556 30 10 IDEE C#CCSCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1749049947 TUYLTZFWKJATJY-WOJBJXKFSA-N 435.550 1.328 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(=O)(=O)CC 1749126286 ANEMUNQTCAFSLU-ZOBUZTSGSA-N 425.555 1.081 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749214514 ZCHNMKGZFWCCOY-IXDOHACOSA-N 426.587 1.154 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749268450 ALFJLGCDKQABDH-ZIAGYGMSSA-N 427.958 1.428 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1749546933 GTCOOTQRZDLDNI-MRXNPFEDSA-N 445.524 1.689 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)c1 1751407371 PAPIIOHCFMJHMU-HXUWFJFHSA-N 428.537 1.781 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1751980265 AOULSOLXTOVHNQ-QGZVFWFLSA-N 437.548 1.594 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CCCO1 1760200351 FFBDSWINHGFWAP-NRFANRHFSA-N 426.546 1.880 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1760216205 DYTHDBKTBUFWHT-XMMPIXPASA-N 430.512 1.816 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(S(C)(=O)=O)CC1 1760233144 IWVXHZKEGFMIGD-UHFFFAOYSA-N 443.577 1.489 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCCC1 1760250601 JDBQVLLXRQQMTR-UHFFFAOYSA-N 431.562 1.707 30 10 IDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1760285742 PSCKWOZARRXYMK-UHFFFAOYSA-N 432.525 1.824 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1760381637 UMXFMWYWFFZGBW-UHFFFAOYSA-N 446.577 1.871 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C 1760516568 QQJVEQZJVZHRHZ-LSDHHAIUSA-N 430.484 1.526 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1760523665 FCDPNBYHYXRLGT-GOSISDBHSA-N 425.537 1.846 30 10 IDEE CC(C)(C)c1nccc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)n1 1760721513 MVAGXKIEZOKHAF-DLBZAZTESA-N 438.536 1.678 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1767247905 FLERNIWIOCNEKI-GOSISDBHSA-N 440.504 1.060 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1767942823 RQSYKSGNHCBHHA-RBUKOAKNSA-N 441.536 1.459 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCCCO 1768659768 IVQOFOJNXANVNB-GOSISDBHSA-N 449.602 1.804 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1OC 1770087006 NFTMOMCEEMBBBO-QGZVFWFLSA-N 442.520 1.853 30 10 IDEE C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccccc2C#N)CC1 1852294418 GSVWJWPZCQZOAF-AWEZNQCLSA-N 434.468 1.852 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)c2ccccc2)CCO1 1852462840 DQWODVDQEDRBDV-MJGOQNOKSA-N 433.917 1.981 30 10 IDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1 1856251328 PLFDWJGFHHKYJE-INIZCTEOSA-N 431.514 1.270 30 10 IDEE C=CCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O 1857784041 KGJIVLVRKRBNOW-LCWAXJCOSA-N 429.466 1.015 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccn12)[C@@H]1CCS(=O)(=O)C1 1858244661 LSXXHOVOERSCMG-MRXNPFEDSA-N 437.481 1.717 30 10 IDEE C=CCNC(=O)[C@@H](NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 1861495748 HHSZZMBDTTWQTE-FQEVSTJZSA-N 441.484 1.602 30 10 IDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870385176 LKWHCFOEHDIFBP-IRXDYDNUSA-N 447.557 1.718 30 10 IDEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870563483 CUPIYDDGSXBRSB-NRFANRHFSA-N 443.931 1.945 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc(O)cc1 1874436288 UNIGTTLEVAFGJO-WYMPLXKRSA-N 438.513 1.911 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 1891515598 RMQQWELRUMWTPJ-UHFFFAOYSA-N 427.465 1.180 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2060625749 NQXACVXXONSOHR-UMVBOHGHSA-N 438.330 1.993 30 10 IDEE CN(C[C@]1(O)CCCN(C(=O)C#CCNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2244372934 HSHVTFRSXAGHGP-OAQYLSRUSA-N 425.526 1.735 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248406385 XQBPOYHQINHAAC-NEPJUHHUSA-N 439.343 1.751 30 10 IDEE Cn1ncc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2255544558 BGDLGCFPPWQRIT-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255630237 HKZQXYJSRYVQSR-UONOGXRCSA-N 434.346 1.671 30 10 IDEE COc1ccc(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2256612088 BSYTTXNBZNYFCA-MRXNPFEDSA-N 436.314 1.819 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1B1OC(C)(C)C(C)(C)O1 2267124513 MBQQHSLVRHYJBG-CQSZACIVSA-N 445.329 1.304 30 10 IDEE C[C@@H]1CCN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267127114 GUHZJATWKCENQT-YPMHNXCESA-N 444.263 1.248 30 10 IDEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC[C@@H]1NC(=O)C(F)(F)F 2267167227 CRGLPAPCCJEQBF-YPMHNXCESA-N 442.247 1.305 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2267480286 XOAMNVKYTQWWFY-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 2267492000 MHKLICFMVWGANR-UHFFFAOYSA-N 446.357 1.943 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2317677539 WQXVGOLMBJPYIQ-AWEZNQCLSA-N 435.330 1.650 30 10 IDEE CC(C)(C)OC(=O)N1CC(Oc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(=O)O)C1 2322268259 CVTSAFUXWOJJHW-UHFFFAOYSA-N 438.261 1.973 30 10 IDEE Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2[C@H]3NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2334263223 SWCLFPJTGVHGOB-BPUTZDHNSA-N 446.357 1.847 30 10 IDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1cccc(C)c1 10241235 BFOKFIFJBIEUQH-UHFFFAOYSA-N 429.546 1.849 30 10 IDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 71530811 FXRDFFIUBIRVSU-AWEZNQCLSA-N 438.531 1.822 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430994121 RZLKAGJTRCUSHD-UHFFFAOYSA-N 449.580 1.996 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(Br)cc2)n(C)c1=O 433022867 XVTXKBYEXKGTMG-UHFFFAOYSA-N 443.326 1.812 30 10 IDEE C[S@@](=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 435388352 FLDWCDDQXOJFQK-MUUNZHRXSA-N 431.539 1.371 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 460773387 JZROHMYJCDULGL-RDJZCZTQSA-N 446.577 1.862 30 10 IDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1cnn(-c2ncccc2C#N)c1 461282548 NRUMEOFVBNBZLR-UHFFFAOYSA-N 435.469 1.672 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)c1 463277340 KYBJOPPFGOEOQU-UHFFFAOYSA-N 425.468 1.356 30 10 IDEE CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466133113 MVRNAFOKSYERRW-QRQLOZEOSA-N 432.546 1.778 30 10 IDEE C[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO[C@@H]1C1CC1 467274370 WPNAGRIJFHDEGY-CTNGQTDRSA-N 432.546 1.779 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c(F)c1 480696595 WNNDZKAZFBPODS-HXUWFJFHSA-N 431.489 1.587 30 10 IDEE COc1ccc(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 481112461 KAGUSLQORDAZNC-OAHLLOKOSA-N 431.514 1.991 30 10 IDEE COc1ccccc1CC(=O)N1CCC(NS(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489255503 QZQNLGUPKOGJRH-UHFFFAOYSA-N 428.514 1.782 30 10 IDEE COCCc1nnc(-c2cccc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c2)o1 489536551 FFUYPBIPNSZGSN-HNNXBMFYSA-N 433.472 1.938 30 10 IDEE CS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 499133312 KVHDNOPPCUIBSD-UHFFFAOYSA-N 439.540 1.170 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 502162135 LSXUNWMQSZWXME-WMLDXEAASA-N 444.579 1.333 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCCNC(=O)c3ccccc3)C2=O)cc1 504898534 UQSBDIOLFJHMJI-IBGZPJMESA-N 433.468 1.700 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C 505661060 KJKGIWPAKLWGLW-UHFFFAOYSA-N 435.553 1.669 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 508883433 AAIKCNKVMGRKNC-AUUYWEPGSA-N 439.969 1.912 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2nccs2)CC1 508910708 FCCJZFYOIPMQLJ-OAHLLOKOSA-N 438.579 1.638 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccc(OC)cc1 508924568 YGJLHFVERRDXCG-IBGZPJMESA-N 449.577 1.875 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2C#N)c1=O 512720859 PLBNUEQQFLEKKT-UHFFFAOYSA-N 444.520 1.113 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCCO2)CC1 514878649 VETFXCOKBKIXHF-DLBZAZTESA-N 425.555 1.337 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(C#N)n2)CC1 555255440 KUSWTTPEWYKAAF-HNNXBMFYSA-N 430.538 1.058 30 10 IDEE CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(c2cccc(C#N)n2)CC1 558852419 ATUCGXMEUUVENC-UHFFFAOYSA-N 441.499 1.805 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 558962718 GTWXXXGDJDYVNP-IBGZPJMESA-N 447.561 1.594 30 10 IDEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 559005818 YQALFOPNMRYOJD-OAHLLOKOSA-N 445.321 1.431 30 10 IDEE COc1ccc(-c2noc(CN3CCN(S(=O)(=O)CC4(C#N)CCC4)CC3)n2)cc1 561990063 IDKFQCSRBBFZEO-UHFFFAOYSA-N 431.518 1.886 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N 603999905 CRTOGZKCDGCENO-UHFFFAOYSA-N 432.480 1.937 30 10 IDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670210983 AGIBLZURZJEXRJ-HBFSDRIKSA-N 434.585 1.567 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1sccc1C#CCCO 703981620 SFHWUGUNKOVFNS-UHFFFAOYSA-N 432.523 1.588 30 10 IDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NCC)c1 730144672 PZOXYHPOVUUIJS-MAUKXSAKSA-N 443.573 1.192 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccn(C)c2)cn1 748096327 VFXIZWQLEITVNX-KRWDZBQOSA-N 444.561 1.628 30 10 IDEE C#CCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 758049473 GRFLDWRINLVOKP-UHFFFAOYSA-N 443.463 1.472 30 10 IDEE C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 760399700 AEMIUDWRDOOIOC-OAHLLOKOSA-N 441.575 1.960 30 10 IDEE N#CC1(c2ccc(COC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cc2)CC1 777144559 XOIKVFXUQUVYJX-UHFFFAOYSA-N 439.493 1.719 30 10 IDEE C[C@H](CC(=O)NC1(C(=O)Nc2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 779350150 AELHSPLXBCPSGB-CQSZACIVSA-N 426.498 1.791 30 10 IDEE COc1ccc(CN2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c(OC)c1OC 780859544 FWIJZLLMIFLTAJ-FQEVSTJZSA-N 425.485 1.962 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781134428 FYHNKCMBCBVDEM-UHFFFAOYSA-N 448.552 1.323 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCn3c(O)nnc3C2)c1 782725444 LATCUYBMIBPXNX-KQWNVCNZSA-N 447.521 1.624 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)n1 788695270 HZYMZXFIEWYHSA-UHFFFAOYSA-N 444.435 1.854 30 10 IDEE Cn1ccnc1[C@@H](O)C1CCN(CC#CCN2CCC([C@@H](O)c3nccn3C)CC2)CC1 792871530 LWYBKRFAMVRAOC-SZPZYZBQSA-N 440.592 1.348 30 10 IDEE CCOc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)cc1 839263566 GMNUWOMFWLZQTK-UHFFFAOYSA-N 440.488 1.905 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1115860516 MXEFHHPTNFCKGW-UHFFFAOYSA-N 437.500 1.827 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)[C@@H](C)COC 1130889835 BIIHOYICUYBJQS-INIZCTEOSA-N 438.546 1.923 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1132418545 ROWVQCKUXOKDCT-VLIAUNLRSA-N 437.880 1.653 30 10 IDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1147220911 ZOTDDUMNBBSADW-OYRHEFFESA-N 433.512 1.990 30 10 IDEE CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCN(S(C)(=O)=O)C1 1159208448 QOCSFHKZOKYMEF-OAHLLOKOSA-N 441.351 1.249 30 10 IDEE C#CCOCCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1160091618 ZBAXEGCXNUFKAX-KRWDZBQOSA-N 435.546 1.178 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCOCC1 1286285051 JVHDIVGYJLAIJF-KRWDZBQOSA-N 433.516 1.871 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286386009 SHPNNQPKDGMBTB-RCCFBDPRSA-N 438.550 1.322 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286389357 INKNYWUEMAXINZ-IAGOWNOFSA-N 430.534 1.321 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1286394447 VTSPXPSVJVWJTH-JKSUJKDBSA-N 426.633 1.706 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCC1 1286414666 CAYHXBUJQWYGRT-UHFFFAOYSA-N 445.570 1.310 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccs2)CC1 1286490193 IFFHAXRIDJUEAK-QGZVFWFLSA-N 426.546 1.499 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286549591 YBXYBBYUVCVEEH-SCTDSRPQSA-N 443.556 1.108 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286609629 OXPKRFLVDLGIJY-GOSISDBHSA-N 439.520 1.329 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC=C)C1 1286700617 PQHQWUMAPJMGRS-IAGOWNOFSA-N 425.555 1.359 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)Cc1cnn(C)c1 1286785222 BUDLPGJEDYKYDJ-UHFFFAOYSA-N 426.481 1.068 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286788401 VVMIUSVTZYFUNM-INIZCTEOSA-N 434.541 1.531 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1286820039 CJFLNVWDDNTHQO-INIZCTEOSA-N 436.534 1.733 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC[C@H](C(F)F)N1CCOCC1 1286959501 GZKXZOJYZSMCKG-LSDHHAIUSA-N 427.500 1.368 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1287115902 MZAVWWTXKFKLOP-IBGZPJMESA-N 433.520 1.849 30 10 IDEE COc1ccc(CNC(=O)/C=C\C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1297336280 VOUVJAPROHQWKV-KUFMOJEASA-N 432.480 1.657 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@H]1OC 1297679904 HQVKUVVJLZYHOC-RTBURBONSA-N 447.561 1.739 30 10 IDEE CC(C)c1n[nH]c(CC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1300200511 HFWNLUIUKCSABY-UHFFFAOYSA-N 430.534 1.559 30 10 IDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1300327370 AHIFZJBYNJEEMN-HRAATJIYSA-N 441.467 1.110 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 1300410282 MKXZYCPKANWLKA-ZWKOTPCHSA-N 439.582 1.277 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C(C)C)N1CCOCC1 1300455430 JCCKEXNBYCTNFA-FQEVSTJZSA-N 449.559 1.618 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300485188 YDKRDRKZJYATOU-UXHICEINSA-N 439.541 1.868 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300488085 OOKFKEIJVSTGEI-MDKPJZGXSA-N 431.562 1.764 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1300504763 RRMSIRDURLXYHK-SFHVURJKSA-N 444.557 1.626 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1300532122 ODRCOUCUTSYJJZ-UHFFFAOYSA-N 443.511 1.973 30 10 IDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCCS(C)(=O)=O)CC1 1300707408 YDMZHVXDQQLNRO-UHFFFAOYSA-N 429.590 1.643 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300762905 RRJVKYRZODJRTE-QGZVFWFLSA-N 441.623 1.652 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1300870835 ANJLQTURNXIEQP-PKOBYXMFSA-N 432.569 1.702 30 10 IDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301049629 CADSWLOGMVHJFK-INIZCTEOSA-N 429.974 1.614 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301082571 JGQULNBMTXOJDF-ROUUACIJSA-N 430.484 1.818 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301420913 LRCZOUBSTVGHOZ-SFHVURJKSA-N 444.561 1.737 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301510361 VJAFGKSVIKFWET-MJGOQNOKSA-N 429.521 1.708 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301519056 MBTGERFCIAAJDB-INIZCTEOSA-N 428.562 1.883 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CC)C1 1301539046 NGBXKNOLFUWYGD-YESZJQIVSA-N 426.587 1.154 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCc2ccco2)CCO1 1303001495 BGAUCXGJYARYAU-HNNXBMFYSA-N 427.852 1.632 30 10 IDEE C[C@H]1C[C@@H](C)CN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1304924584 INGHKOMJFMUVIT-HCXYKTFWSA-N 429.569 1.716 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNc2ncccc2C(F)(F)F)c1 1306389531 YHVUKLXRENHHGF-UHFFFAOYSA-N 427.408 1.479 30 10 IDEE COC(=O)c1ccc(CN(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)nc1 1307874577 FZTTULCGQWSGQP-NRFANRHFSA-N 439.491 1.848 30 10 IDEE C#CCN(C(=O)N1CCC(CC)(NC(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1313223448 PRBCQBDOMIWULZ-INIZCTEOSA-N 427.567 1.998 30 10 IDEE COCC1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1315827597 GJIKWXQDTJBDBR-CQSZACIVSA-N 436.538 1.654 30 10 IDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1325737923 NFAALAHWIZRVIL-KRWDZBQOSA-N 437.562 1.439 30 10 IDEE C#CCN(C(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1352903614 BZPCJIYRRRPVAR-QRVBRYPASA-N 434.514 1.061 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1358915291 YSPUOUNNGGLYRU-IBGZPJMESA-N 435.576 1.857 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1358916159 BVEAFNYEAVSKMJ-OAHLLOKOSA-N 430.534 1.024 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358961321 WISUHFJKMVEJMH-SCTDSRPQSA-N 433.578 1.971 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1359000015 JTCDXGLLERTQKO-ZDUSSCGKSA-N 427.477 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(OC)CC2)CC1 1359044236 AHMQBQSLWOEJPI-NKELODKYSA-N 442.564 1.400 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359298157 PBHGOQDWFBYZLR-QGZVFWFLSA-N 448.531 1.490 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2cc(Cl)cnc2I)C1=O 1438154299 VTTABISBRLKVKT-UHFFFAOYSA-N 449.588 1.222 30 10 IDEE CC1=C(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[C@H](C)n2nnnc2N1C 1441632079 RAMAUJZGJOTXDY-UAHGDZPKSA-N 444.521 1.409 30 10 IDEE CN(C)CCNC(=O)C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1465492420 XPAXJAKSEQGSPE-GOSISDBHSA-N 437.585 1.880 30 10 IDEE CC[C@H](CN1CCOCC1)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1471393214 BSQITLCQVSAAJY-MRXNPFEDSA-N 428.493 1.749 30 10 IDEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1492467228 ABCZZZJCIXPIMU-HNNXBMFYSA-N 436.563 1.157 30 10 IDEE COc1ccc(COCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1504285098 WKTOTDITTVUMHB-LJQANCHMSA-N 440.504 1.468 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1505123064 CVIQIIBCHGFYRQ-UHFFFAOYSA-N 440.533 1.512 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1507514131 BWMDIRVOOABEAO-HZPDHXFCSA-N 432.550 1.085 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@@](C)=O)cc1 1507659311 ZVNHIBVAAHCIDL-SSEXGKCCSA-N 425.558 1.806 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNS(C)(=O)=O 1507663310 WWWAOULHGSFDBU-UHFFFAOYSA-N 430.490 1.256 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1507920067 JLORMVZVWDXBBW-IRXDYDNUSA-N 441.598 1.686 30 10 IDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1)c1ccccc1 1507924099 IQMJNGOMOXSYID-OWYHZJEWSA-N 447.561 1.810 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1508025018 OMSAVPYYPZFSPE-IBGZPJMESA-N 445.589 1.894 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)N(C)C 1510075569 DTVLZBVAHODAFE-JLSDUUJJSA-N 426.477 1.793 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1511264361 OZWYUJOBHZUALB-BSBNDGSWSA-N 449.515 1.447 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1516652502 ICPCVOVGAVCBMM-GOSISDBHSA-N 444.561 1.715 30 10 IDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1519384685 WRWNZGNNDQMDHR-VQTJNVASSA-N 443.504 1.386 30 10 IDEE COc1ccc(-c2noc(CCCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1537006969 ZHJJCDBKVMKOIF-MGPUTAFESA-N 430.486 1.465 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539222182 UGMFKGKNYOFJPU-ROUUACIJSA-N 444.561 1.306 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539641379 LQUBXWNHIVLKJM-UGKGYDQZSA-N 446.596 1.540 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1539884670 NGRDZGYMZCVBRH-MRXNPFEDSA-N 446.552 1.925 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1=O 1540471428 YZEYYNGWTTWNHI-VQTJNVASSA-N 440.544 1.976 30 10 IDEE CN1C(=O)CO[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H]1c1cccnc1 1540550164 JAAOCSONIWBOTH-FCEUIQTBSA-N 437.475 1.528 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1540596098 ZRBRTPFEPDQQKI-OAHLLOKOSA-N 430.571 1.942 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C#N)CC1 1540873346 VXSNSWFTVJDDAB-UHFFFAOYSA-N 448.556 1.826 30 10 IDEE CC1(C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1542011334 XYQARAJINKSABE-VXPUYCOJSA-N 437.504 1.406 30 10 IDEE CN(C)S(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552888321 SDTBAWGXUGLSBD-UHFFFAOYSA-N 445.549 1.362 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@@H]1C 1554478250 BYJDEGNHVJNZEF-KSFYIVLOSA-N 426.521 1.852 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1ccnc1C 1555545093 BLZKFGULUJUBCP-FQEVSTJZSA-N 448.531 1.959 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1561296834 WXMSOEMZMQYHRN-UHFFFAOYSA-N 448.423 1.059 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1564772889 SUYXVHATTQGKHD-QLFBSQMISA-N 441.269 1.817 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)s1 1567478716 MTPKLJSWFCFLNA-CQSZACIVSA-N 440.547 1.861 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588041141 VDGJDQYYDYKOHE-GOEBONIOSA-N 436.969 1.570 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(C)c2)CC1 1588947087 KZSJIJBZUGHZJC-UHFFFAOYSA-N 435.507 1.756 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1589530896 ZBCTZPNWMGMYME-SJLPKXTDSA-N 426.525 1.568 30 10 IDEE CC[C@H](C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613409109 RPSWYAIKLRRPQQ-HNNXBMFYSA-N 435.536 1.944 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)n1 1618759590 RFYKQNRYCHEVQN-UHFFFAOYSA-N 433.553 1.434 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCSC1 1619913495 FLCNQUAQUUHEIP-OAQYLSRUSA-N 441.561 1.751 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C1 1620346815 IJAYHENVWRWGAV-YCRPNKLZSA-N 438.442 1.660 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)CC1 1623498971 LHKCAYOKJBQIRO-HXUWFJFHSA-N 434.581 1.744 30 10 IDEE COc1ccc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 1624699609 FTVJWXXTBGJEQL-UHFFFAOYSA-N 445.497 1.778 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cnc(Br)cn2)s1 1627400155 UPSUSZKFQLPUKJ-UHFFFAOYSA-N 431.337 1.624 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl 1628681570 XVEVAIXZRAHHFP-CYBMUJFWSA-N 429.926 1.595 30 10 IDEE N#Cc1cn(C2CN(C(=O)NCc3nc(-c4ccccc4F)cs3)C2)c(=O)nc1O 1634877635 FXAPFBFASOQDFV-UHFFFAOYSA-N 426.433 1.850 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1639557660 RCPFBZIWDQNPFV-JQFCIGGWSA-N 428.938 1.580 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 1640218667 JTGSEXVHWCROGO-QGZVFWFLSA-N 438.513 1.450 30 10 IDEE CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1641283310 PJQMTPSSCGVAMY-PKOBYXMFSA-N 437.500 1.526 30 10 IDEE CS(=O)(=O)NCCc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1641855185 MRRNAPWXXPDSMA-UHFFFAOYSA-N 445.497 1.296 30 10 IDEE Cc1cc(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)nn1-c1cccc(C#N)c1 1642017663 ZVYNVHAMRWUMBC-LJQANCHMSA-N 427.530 1.387 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC#CCN(C)C)n2C 1642510224 QHAGFDJFPGRXPZ-UHFFFAOYSA-N 433.578 1.218 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC2)cc1 1642565109 BDZBAEDLDSYSEO-UHFFFAOYSA-N 449.330 1.931 30 10 IDEE N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(CN4CCS(=O)(=O)CC4)cc3)n2)c1 1643300346 GPQWBHMZVQJVLL-UHFFFAOYSA-N 449.536 1.904 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(C3CCCCC3)nc3ccccc32)CC1 1644285683 WTBHPVKOGFYRIA-UHFFFAOYSA-N 443.573 1.696 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cc4c(F)c(Br)ccc4[nH]3)C2)c(=O)nc1O 1648790280 DEPYRKPPSHLWPU-UHFFFAOYSA-N 432.209 1.901 30 10 IDEE C[C@]1(C#N)CN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CCO1 1655733475 NUOBETUADHTWGX-NRFANRHFSA-N 432.546 1.365 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC2(CC1)OCCO2 1664193736 GDBKFWNUWMMXQI-UHFFFAOYSA-N 443.566 1.405 30 10 IDEE C[C@@]1(C#N)CN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCO1 1672737389 KVMIELBELGGKDP-JOCHJYFZSA-N 427.549 1.682 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCc3cn(C(C)(C)C)c(=O)nc3O)CC2)c1C#N 1675960755 RMJAOKIUNJZDMC-UHFFFAOYSA-N 431.522 1.372 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 1681515818 MMABDVOTYJTHCP-HRAATJIYSA-N 425.445 1.157 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](O)COc1ccc(I)cc1 1682162832 GADWWSYBVMINCL-BJJXKVORSA-N 446.285 1.921 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[C@H]1CCCCO1 1689853384 RWZQFOQLOTXFMM-RCCFBDPRSA-N 439.582 1.418 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1689993053 UUBPAYYWDOIBOG-FQEVSTJZSA-N 436.541 1.642 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1690048713 NBNNDSPBEPENDF-QFIPXVFZSA-N 435.528 1.976 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](F)COC)CC1 1690142189 JTKYRRGHYNLBNP-QGZVFWFLSA-N 429.496 1.904 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1690184863 PCQCGFGPIXEDIH-INIZCTEOSA-N 429.546 1.899 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1690209276 QQYUAIJYDIISPB-BDIWWCJBSA-N 431.500 1.782 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1690313548 WVNBXWVEJNZTTR-ROUUACIJSA-N 448.593 1.890 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677009 KTFJNIXURFZAHL-HTAPYJJXSA-N 448.568 1.116 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1697023063 FIJSBHUPALUHJP-KRWDZBQOSA-N 440.533 1.093 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1698317957 RVBGTWJHLDSHJR-OALUTQOASA-N 444.561 1.904 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC(C)(C)C 1705629395 HFVMPMHFFKJRBE-UHFFFAOYSA-N 437.548 1.907 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCn2cnnn2)CC1 1705633648 VFTJGBJUPBGBSR-QGZVFWFLSA-N 439.499 1.389 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H](C)N(C)C 1706619274 AKTNTOMCLUXEHM-INIZCTEOSA-N 442.543 1.704 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cn2cccn2)cc1 1706625004 CEPLRLKTAIGOQG-LJQANCHMSA-N 434.504 1.438 30 10 IDEE CO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712670446 OUJDSGYRUQBZJE-AMGRQBIBSA-N 428.518 1.682 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(=O)NCC(F)F)c1 1722308728 FBSUGNFBSXFKID-UHFFFAOYSA-N 430.459 1.983 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1722352667 KCLTUUXFPKAWFT-QZWWFDLISA-N 444.536 1.323 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1722413959 UAAZSFDMMJTPQE-INIZCTEOSA-N 434.541 1.524 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1)C1CC1 1722651610 VXONPMLZGVNQAW-QGZVFWFLSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C(=O)OC)C1 1722693496 PTSJJCSLRDFKOG-MRXNPFEDSA-N 435.488 1.637 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1 1722698628 IWVXVHWJGFSVTE-ZDUSSCGKSA-N 438.941 1.167 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@]2(CCO[C@@H]2C)O1 1726666908 QSUMZBBXHSXBPS-PNCHPQGNSA-N 441.532 1.988 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)C(C)C)CC1 1740699636 NVABQXRVCIGOKE-UHFFFAOYSA-N 429.594 1.365 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740715940 IBKQXGFLFZKSOP-HUUCEWRRSA-N 445.549 1.680 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740762879 WTDWVSGSXZZBGZ-NYTXWWLZSA-N 429.443 1.978 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740850094 CPEYDCQRSFHIDE-JKSUJKDBSA-N 444.623 1.796 30 10 IDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1740948077 TUWVGTRDGZBNMG-OAQYLSRUSA-N 425.581 1.681 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740965946 NJGXOFRHJUSFOD-SGXKBVARSA-N 449.552 1.079 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1740970383 KFKHPFFDDOTFSY-UXHICEINSA-N 446.596 1.652 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(=O)(=O)NC)C1 1740980243 GKLOCMGPVNYBTM-QGZVFWFLSA-N 439.969 1.853 30 10 IDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1742476682 SVNRBZZTBAVAJF-UHFFFAOYSA-N 442.545 1.921 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nnn(C)n2)cc1Br 1748606683 BLJXTEDOUGJQCT-NSHDSACASA-N 446.313 1.884 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCNS(C)(=O)=O 1748775674 QCRUVPWWCNNQEP-UHFFFAOYSA-N 426.340 1.716 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cn[nH]c1 1748963025 WOTUQJFYBJKZDU-UHFFFAOYSA-N 435.536 1.504 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1749119024 MKRICOAPBJYZOU-NXOAAHMSSA-N 441.598 1.873 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1)C1CC1 1749518033 WQSNRAUFFQARAZ-GOSISDBHSA-N 429.546 1.977 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1749732573 ZFKXISFRKCJCAT-CABCVRRESA-N 443.520 1.702 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1750076485 OCHFVTRNIPUGJR-OSKOBQJQSA-N 444.561 1.920 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1750380817 ZCPADXNLPVQRSA-GCKMJXCFSA-N 430.459 1.707 30 10 IDEE NC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750394798 CFVCNIOUYIAQPM-JZJYNLBNSA-N 427.509 1.164 30 10 IDEE CC1=C(C)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1751330443 IUMYDCUMESGABA-ZJYNUGOYSA-N 425.493 1.302 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1760262005 XXCXDSNMSDCBNP-NHCUHLMSSA-N 441.624 1.524 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760283936 CONPKSWDUFALRX-INIZCTEOSA-N 429.550 1.842 30 10 IDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC)C1CC1 1760471937 ONHOQHQSKSOQDT-UHFFFAOYSA-N 428.522 1.510 30 10 IDEE CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1760984574 CPDWKGKEMQYJAO-IAGOWNOFSA-N 445.593 1.975 30 10 IDEE CC/C=C\Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1763590147 BHSXVZUUYMRZPZ-FPLPWBNLSA-N 425.541 1.623 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N2CCOCC2)CCOC1 1765888690 DFKMCAFYRWWMNZ-FCHUYYIVSA-N 446.552 1.309 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCOC)CCOC1 1765913467 OGJOJABKKWRJRO-OAQYLSRUSA-N 427.509 1.170 30 10 IDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H]1C 1767115834 VJBWIGFTGSFCTR-MRXNPFEDSA-N 431.566 1.286 30 10 IDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)CC1 1767838659 OCRRPDQXCCRUHD-UHFFFAOYSA-N 427.509 1.617 30 10 IDEE C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)CCC1 1770361335 HVPYLMQZECKWFW-PMERELPUSA-N 427.534 1.967 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)NCC#CCN(C)C)c2C)C1 1850925961 RLHRVNPZTDQNBU-MRXNPFEDSA-N 427.471 1.764 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(NC(=O)Cn4ncccc4=O)cc3)CC2)cc1 1851445215 LSJZMNKZKQMRNS-UHFFFAOYSA-N 442.479 1.716 30 10 IDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1854534624 GSJOYJWCJMUXPH-UHFFFAOYSA-N 434.424 1.683 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 1867437094 ASHQAFFSLWRKET-WOJBJXKFSA-N 448.479 1.471 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873594512 UYPJSMXTZQHTNF-QZTJIDSGSA-N 442.564 1.683 30 10 IDEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1 1874306631 IIAMSLKQHBJDHC-SSDVNMTOSA-N 427.486 1.943 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@@H]3C(=O)N(C)C(=O)[C@H]3C2)[C@H]1c1ccc(C#N)cc1 1889380579 GFWDJIBHEPDYIZ-DKKFBQAASA-N 440.525 1.025 30 10 IDEE Cc1cc(C#CCO)sc1CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2157007697 BVNXKQCEZWADAW-UHFFFAOYSA-N 446.550 1.896 30 10 IDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1ccc(C#CCCO)cc1 2178261792 APGBIGHQVHALOV-UHFFFAOYSA-N 426.494 1.179 30 10 IDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2213501379 XKFPNSVIPXSUFH-WCVJEAGWSA-N 443.541 1.303 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2247909308 HYMKTSFTBMEKLK-KBPBESRZSA-N 438.355 1.757 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248403830 GVPQWSDYIOVZQH-GFCCVEGCSA-N 438.359 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255626691 JBZBPRRHWWSMTR-ZDUSSCGKSA-N 436.318 1.075 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C#CB1OC(C)(C)C(C)(C)O1 2255870340 FXQMNFGZCIEDQS-OAHLLOKOSA-N 436.314 1.632 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 2255875693 CDRBSSXCLYEIIX-UHFFFAOYSA-N 435.334 1.244 30 10 IDEE Cc1nc(NC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256615797 XDMKBEUSOAPVMK-TZMCWYRMSA-N 436.318 1.297 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2256616333 ACWINFOQJPMAPQ-HNNXBMFYSA-N 435.330 1.985 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 2267181510 TUARRDCDTLHWNN-HOTGVXAUSA-N 447.341 1.399 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267192530 SAJNCRWTZWTCLP-YPMHNXCESA-N 444.263 1.391 30 10 IDEE C[C@H]1CCN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267269948 IIWYHCBWBIBZTR-JSGCOSHPSA-N 441.259 1.910 30 10 IDEE Cc1c(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267530135 VWEQGUAEFJGPBE-KBPBESRZSA-N 446.357 1.623 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 2267606238 VARLIHYREBMATP-CQSZACIVSA-N 449.361 1.634 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@@]3(C(=O)O)CCN(Cc4ccccc4)C3)[nH]n2)OC1(C)C 2269050869 VKJXLRWMZZZVRE-QFIPXVFZSA-N 440.309 1.168 30 10 IDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCCc1ccc(F)cc1 20914683 NGOPIMNQWJUUBF-FOKLQQMPSA-N 429.481 1.734 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1 27559062 HAGZXUMYHBUTTR-UHFFFAOYSA-N 434.562 1.272 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3C(=O)COc4ccc([N+](=O)[O-])nc43)cc21 96552432 DHZOQDVHHHHENZ-GFCCVEGCSA-N 438.396 1.898 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(C)c(OCC(=O)O)c2C)c1 110276213 ZUDHNIDFXOINEM-UHFFFAOYSA-N 430.482 1.689 30 10 IDEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 429897371 UAYXTDKCCYNTHI-UHFFFAOYSA-N 435.506 1.989 30 10 IDEE COC(=O)C[C@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)c1ccc(OC)cc1OC 433681829 FWRYOIARCPKATI-SFHVURJKSA-N 437.452 1.885 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c(C)o1 434101293 FHJAHNWWFXGCCH-OAHLLOKOSA-N 434.499 1.522 30 10 IDEE COC(=O)c1cnc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 469450591 RCAXHEGGNLHPRZ-UHFFFAOYSA-N 448.526 1.865 30 10 IDEE CSc1nc(O)nc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 474718860 ZPIJDTRLVLTGOL-UHFFFAOYSA-N 433.515 1.231 30 10 IDEE CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 478869525 MFQWQEJIIQVLNU-LJQANCHMSA-N 437.565 1.823 30 10 IDEE C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)S(=O)(=O)C1CCOCC1 481219843 HDHPQEGTMFIIJM-CXAGYDPISA-N 437.543 1.381 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1F 488965800 BBIQAMFVUTUFQP-UHFFFAOYSA-N 433.490 1.273 30 10 IDEE CC1(C)NC(=O)N(CCCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 499576124 WCOBTGCPXWZJGA-OAHLLOKOSA-N 429.502 1.509 30 10 IDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 501974279 XHSAVFJYXBLRRZ-UHFFFAOYSA-N 437.930 1.977 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 506186546 AVAZKFBFCCNMCO-QHCPKHFHSA-N 428.533 1.709 30 10 IDEE CNC(=O)CCOC1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 511365245 FONDOMODQZWGHZ-UHFFFAOYSA-N 429.521 1.970 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)CC2)nc1 520289534 JDZHLZOMHOMEHY-UHFFFAOYSA-N 444.492 1.986 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)n1cnc(C#N)n1 539503008 FVRYLDMATALULO-NSHDSACASA-N 443.316 1.551 30 10 IDEE C=CC[C@H](CO)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 540420398 OXBYGEOBEJDTJL-XJKSGUPXSA-N 431.352 1.903 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 541580238 YXDCYJQJCZHHNM-SFHVURJKSA-N 442.497 1.268 30 10 IDEE COc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(=O)(=O)NC1CC1 545490080 XLVYFRVVJROMAA-UHFFFAOYSA-N 441.513 1.365 30 10 IDEE CC(C)CCNC(=O)C1CCN(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1 546212481 XBUOZYFTCQJNBM-UHFFFAOYSA-N 426.565 1.476 30 10 IDEE COC(=O)c1cn([C@H]2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2)nn1 546218517 WWCULTOPEBEYBH-AWEZNQCLSA-N 440.851 2.254 30 10 IDEE COC[C@@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1 560889534 GYKNFUNUOTWBJL-GOSISDBHSA-N 449.467 1.959 30 10 IDEE Cn1ccnc1CN1CCC[C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1=O 565107393 YDJBDWLRWHOAKL-IBGZPJMESA-N 438.507 1.955 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1Cc1ccon1 611917454 RYABNQLHAHSSPK-UHFFFAOYSA-N 445.504 1.524 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 619107117 YZQAAUYJTKXFHE-UHFFFAOYSA-N 433.921 1.624 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCB1OC(C)(C)C(C)(C)O1 704369009 WGYDXAUEMQDQEV-UHFFFAOYSA-N 436.339 1.860 30 10 IDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC(Oc3ccc(C#N)cc3)CC1)C2=O 728929374 FJNMUZQQVARIQB-UHFFFAOYSA-N 439.516 1.933 30 10 IDEE N#C[C@@H]1CN(C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CCN1C1CC1 732698922 OKGZKHYGXGBJNR-HXUWFJFHSA-N 436.516 1.704 30 10 IDEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N(CCC#N)c1ccc(F)cc1 741341432 BVEMXILSUITVIS-BVGIJJTOSA-N 428.420 1.921 30 10 IDEE N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 741444127 UEJMDMNEWHOXJU-BFHYXJOUSA-N 430.404 1.655 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)C1=O 748567414 LJPFXBPBZDCKTI-OAHLLOKOSA-N 434.290 1.959 30 10 IDEE C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1ccncc1 749781627 XUJAPLDPSGHOPD-IRISZBEPSA-N 443.529 1.753 30 10 IDEE COc1ccc(N2CCN(CCNS(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 757887958 AYLBHCFVYLUFOQ-UHFFFAOYSA-N 436.484 1.946 30 10 IDEE CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)s1 758585672 SRIASZNFKMUOEM-UHFFFAOYSA-N 444.582 1.450 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 767488652 FUWWKPGOKDUGTH-SIRSKZSMSA-N 428.551 1.831 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCn2cnc3sc(C)c(C)c3c2=O)n1 788821515 YMVOCDMTWWEXMY-UHFFFAOYSA-N 427.530 1.970 30 10 IDEE C[C@@H](C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)n1cnc(C#N)n1 798747582 KIZSYKDKDXZPCF-VHSXEESVSA-N 436.350 1.647 30 10 IDEE C[C@H](CC(=O)N1CCC[C@H](c2ccnc(N)n2)C1)/N=C1/NS(=O)(=O)c2ccccc21 803235258 ZRGQQBFZIJFRPL-KGLIPLIRSA-N 428.518 1.282 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 807249639 BEPFNCOPQCMGFX-MRXNPFEDSA-N 431.493 1.448 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O 809920750 BYWWRCGPSXXCKH-AWEZNQCLSA-N 429.543 1.253 30 10 IDEE CCn1c(=O)c(C(=O)COC(=O)c2cscc2C#N)c(N)n(Cc2ccccc2)c1=O 814613716 SRGVTGBQMDNWLW-UHFFFAOYSA-N 438.465 1.633 30 10 IDEE CCOc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)cc1 916178650 IOLMATRJZDNCKE-KRWDZBQOSA-N 427.482 1.956 30 10 IDEE CN(CCC(=O)Nc1sccc1C#N)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256498 KFZYPEBCTQJKQA-UHFFFAOYSA-N 435.550 1.959 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3C)n2N)cn1 1083954535 IDZAEHBSPYAZDM-UHFFFAOYSA-N 429.510 1.320 30 10 IDEE COc1ccc(C(C)=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc1OC 1084128875 LPNLRMMAUKKBOG-UHFFFAOYSA-N 445.505 1.847 30 10 IDEE COc1cc(C=NNc2nc(SCC(=O)Nc3ccccn3)n[nH]2)c([N+](=O)[O-])cc1O 1084452873 JUYWYZSFSBJYJX-UHFFFAOYSA-N 444.433 1.999 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NC(=O)CN(C)C)cc2)s1 1148572521 LSQLHLWKGIYALP-UHFFFAOYSA-N 436.559 1.894 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1156253166 BXMUDOJJNFXIRA-OAHLLOKOSA-N 433.559 1.908 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O 1161392683 BRABYWOBMCCMHH-AWEZNQCLSA-N 431.426 1.575 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1165499128 XGGGFMBPJJRZSX-GIVPXCGWSA-N 425.460 1.394 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3ccccc3c2C(F)(F)F)CC1 1175515126 SHEQJMOSVAQWTM-UHFFFAOYSA-N 426.420 1.479 30 10 IDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)[C@H](C)COC 1214205927 QXYUBPGVSYYZEV-GDBMZVCRSA-N 445.563 1.207 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(F)c(Br)c2)CC1 1221924608 ZJXQJRLVPAHFQK-GFCCVEGCSA-N 447.330 1.444 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(N2CCCS2(=O)=O)CC1 1275814017 GCJMQYPQLOWIKR-UHFFFAOYSA-N 426.336 1.890 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286397205 YECVXORGMFPPIW-FGTMMUONSA-N 436.578 1.614 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCCc1ccccc1 1286415580 OXIVFHCJJACPDA-UHFFFAOYSA-N 432.528 1.336 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCOC1 1286460558 FZTDCNOFGRMWMM-QFIPXVFZSA-N 427.505 1.385 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCO1 1286466871 KMVXRYRSIDAYII-IBGZPJMESA-N 425.537 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2conc2COC)CC1 1286495564 ZQQXTTYKKCIDGY-GOSISDBHSA-N 428.493 1.278 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286504553 RYCIAWODXGCZRH-GOSISDBHSA-N 427.578 1.382 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C(C)=O)CC1 1286527542 DMBIRNJHPJLXHW-HSZRJFAPSA-N 438.580 1.296 30 10 IDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286712774 KNGXEAXGGDYZEM-UHFFFAOYSA-N 439.607 1.995 30 10 IDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286769554 AHDOWWACSXRWMM-AWEZNQCLSA-N 448.325 1.988 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286781843 CIVMIAMEWIVGND-SFHVURJKSA-N 438.532 1.847 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286785125 FNKIOVWDDFADIC-KRWDZBQOSA-N 441.580 1.963 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286788061 PGCMWYRXQYZQEU-ZWKOTPCHSA-N 430.553 1.565 30 10 IDEE CN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 1289437576 ZHTDDAXFUBRYRW-FDGVUDDNSA-N 439.896 1.395 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1297696644 PWWVNQHXQLTCMK-LJQANCHMSA-N 428.562 1.926 30 10 IDEE CNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2ncccc2C#N)CC1 1299259790 KDKPMGWLSJYJIK-UHFFFAOYSA-N 436.545 1.660 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1300496886 VUAUXWNSCPIDEK-RTBURBONSA-N 446.577 1.312 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1nccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1300498437 KEWUVGFJXLONQM-ZDUSSCGKSA-N 442.467 1.519 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCO[C@@H]1C 1300656734 ARMSRTGQXSAYDC-UZUQRXQVSA-N 436.516 1.961 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2COCCO2)CC1 1300710095 RVGPICYKQAVTQG-GOSISDBHSA-N 443.573 1.750 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(N(C)C)CCC2)CC1 1300721994 FGTSUVNVJKEQFZ-LJQANCHMSA-N 428.581 1.970 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1300762631 KSKXXVWRJIXTJM-IRXDYDNUSA-N 442.607 1.178 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C2CC2)CC1 1301086475 JMJAUNPDQUESGU-DLBZAZTESA-N 425.555 1.192 30 10 IDEE C#CC1(O)CCN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1301218776 AHGYKZZGCJQUCL-JOCHJYFZSA-N 434.492 1.873 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1301424577 MNWYSJBBVACZOX-RXVVDRJESA-N 437.610 1.629 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301479150 UYLKHBHTVQCIHC-INIZCTEOSA-N 425.537 1.519 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1 1301481513 MJBYPXGVHCIUOX-MRXNPFEDSA-N 444.511 1.918 30 10 IDEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1301769808 FNRMHGCBCAIQCN-UGKGYDQZSA-N 429.569 1.466 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)nc1 1301810157 WJVJHSIRKNPAIK-LJQANCHMSA-N 441.536 1.776 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnc(C)s1 1302096275 YQEXBMYLJAUSHQ-YOEHRIQHSA-N 431.566 1.992 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2Cl)CCO1 1303001596 FCNIRPCXUQSSJN-AWEZNQCLSA-N 431.884 1.370 30 10 IDEE Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)n(C)n1 1304729726 HELYOUKTNWGWEW-OAHLLOKOSA-N 426.506 1.089 30 10 IDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1306196576 FPNXTDQHQDAPGY-QGZVFWFLSA-N 443.577 1.320 30 10 IDEE C#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1309162876 ADYKYRCZPAMSOU-GOSISDBHSA-N 427.530 1.242 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1315813239 BIKQHEYDYQKCPQ-WMZOPIPTSA-N 427.484 1.842 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1316529528 FPCIIBWEEQPJQT-ZWKOTPCHSA-N 442.545 1.486 30 10 IDEE O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1322726914 FQRSIRKULPOJNP-LURJTMIESA-N 438.275 1.725 30 10 IDEE N#Cc1ccccc1/C=C\C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1349654811 YACVZJBIVFUHPA-YVMONPNESA-N 439.493 1.876 30 10 IDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358933394 RXNOGAUCJDXNLH-NRFANRHFSA-N 425.533 1.827 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358961151 SHHAUAYXRYXHCB-IXDOHACOSA-N 430.534 1.034 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358965199 PWONDJPJTMYYRN-HXUWFJFHSA-N 444.605 1.621 30 10 IDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1359012476 NTNLIMWSMXBQEJ-UHFFFAOYSA-N 426.546 1.776 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1359021231 HGOLGUQLQBCEEC-UHFFFAOYSA-N 448.483 1.345 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1359167927 ZZVVJOVULDFQLG-QGZVFWFLSA-N 438.523 1.913 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359178458 RQJGIKGVQQGZOO-MEUCICPISA-N 425.493 1.158 30 10 IDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1359287278 VLQUQQIHNOCPLH-HNNXBMFYSA-N 438.579 1.634 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](OCCOC)C1 1359300466 CJNXSUQLJLMYAU-APWZRJJASA-N 443.504 1.335 30 10 IDEE CC(C)(C)c1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1 1359497292 MQSXZMIMTOMZDW-GOSISDBHSA-N 446.577 1.911 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1360034744 HISMAQPHWPFRLF-LEWJYISDSA-N 435.532 1.902 30 10 IDEE N#Cc1ccc(C[C@@H](C#N)C(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1437609292 WLTQRNLKYLRJGE-HNNXBMFYSA-N 426.274 1.944 30 10 IDEE C=CCC1(O)CN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)C1 1455681789 KQEAYFVMIXWPEI-KRWDZBQOSA-N 442.541 1.872 30 10 IDEE CC(=O)c1cc(Br)ccc1OCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1456227065 YTVOVMBHQCHMNX-SJCJKPOMSA-N 441.303 1.427 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1463163188 LYUHSVJHJBUHBW-GQIGUUNPSA-N 435.933 1.589 30 10 IDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 1464356113 QTAUZRPDUVSRQZ-UHFFFAOYSA-N 440.587 1.709 30 10 IDEE C#CC1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1469364667 NBAJKOXBEWSSNY-MRXNPFEDSA-N 445.463 1.490 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1470003191 DCFAVKCBFGXGQB-MMMWYMCRSA-N 426.539 1.354 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCNC(=O)OCc3ccccc3)C2=O)cc1 1471607502 DKODVWCITJEONV-FQEVSTJZSA-N 435.484 1.885 30 10 IDEE CC/C=C\Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1499797141 ZNYSYQRBWATFAW-OGZRUICASA-N 444.565 1.448 30 10 IDEE CCOC1CC(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)(N2CCOCC2)C1 1502937059 BMWAZWWDJWGJES-PDDLGQBUSA-N 447.584 1.425 30 10 IDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1503195382 HEXSIHLVFSCIFV-UHFFFAOYSA-N 447.561 1.619 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1505271196 FYVIGJUETFUJSJ-CRAIPNDOSA-N 430.534 1.323 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCCN2CCOCC2)cc1 1505316437 YYGGUIHTXFAPOZ-HXUWFJFHSA-N 437.548 1.631 30 10 IDEE N#Cc1cccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCSCCCO)c1 1505319180 WQOXWBUGEFWIFS-QZTJIDSGSA-N 426.546 1.647 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCN2CCC(O)CC2)CCO1 1505321440 QOHUDRODJVJIAG-IBGZPJMESA-N 441.492 1.429 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1507544592 YRTQZKKVYGJCFO-CABCVRRESA-N 435.575 1.552 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1507632316 ZCMCRAIETIRRPI-RBUKOAKNSA-N 447.609 1.282 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(OCC2CC2)c1)[C@H]1CCS(=O)(=O)C1 1507633310 FUBBJBLHEWPDTR-SFHVURJKSA-N 429.546 1.699 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1507710454 GQBONDDLJVIZKO-RTBURBONSA-N 437.610 1.387 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507967340 JLRFHDVHDHJFDD-OALUTQOASA-N 432.569 1.957 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1508076003 CQLUFKXUNQXENJ-UHFFFAOYSA-N 431.504 1.179 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1Cc1ccc(C#N)o1 1513370807 JOOFJXKLFOTLHP-JKSUJKDBSA-N 428.449 1.824 30 10 IDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)cn1 1515778084 CVUDYDNWNONNBU-INIZCTEOSA-N 434.504 1.660 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)C1 1516021310 CSOCRRIOZHOUFI-GOSISDBHSA-N 426.502 1.976 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1NC(=O)CC1(C)C 1517127167 DJMUOLPPSVCNNE-GOSISDBHSA-N 435.532 1.937 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1517348900 DZGJVKMCSZBGRM-UHFFFAOYSA-N 444.561 1.700 30 10 IDEE CN1C[C@@](C)(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1517408104 IEWMERXNFBODTF-JXFKEZNVSA-N 430.896 1.718 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(OC)CCOC2)c1 1518049950 CXBVYSTVDFOKAG-GHTZIAJQSA-N 429.477 1.497 30 10 IDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1526236486 XZNSHLWJYHWNPH-IRXDYDNUSA-N 432.502 1.189 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OCC 1537003397 CNBCNTKYHWMQRS-QGZVFWFLSA-N 428.482 1.474 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1539154351 IVUUXVGXDOKAEA-QGZVFWFLSA-N 431.562 1.386 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539207181 ZRIRWLPSMYJKCX-SJLPKXTDSA-N 431.562 1.531 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1539210579 CUJDMLAFAYQDSP-MSOLQXFVSA-N 431.562 1.815 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1539211000 FOBCLYTXWCYQPT-GOSISDBHSA-N 439.545 1.311 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1539215979 MIVXOXXWOZTLBW-KRWDZBQOSA-N 446.483 1.632 30 10 IDEE C#CCN(c1nnc(CC)n1CC1(N2CCCC2)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539219701 LYLRNVBFOVPDIP-SFHVURJKSA-N 435.594 1.112 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539223070 ZCEOJTWSWSSLNE-CEXWTWQISA-N 435.594 1.283 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1539384723 MXDFDAOGUQPPNZ-QHCPKHFHSA-N 440.523 1.360 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539733887 SOJYXTLQQIGFLP-XLIONFOSSA-N 441.598 1.660 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540026242 BJNBPJSKLDBUDO-UHFFFAOYSA-N 442.568 1.998 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)C1=O 1540219853 XMUYGHKXJVEDPP-JOCHJYFZSA-N 448.520 1.745 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)CC1 1540880419 GDNUXKYKKOTDKR-UHFFFAOYSA-N 426.502 1.583 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1540907557 AJLMFGHAZDIAHO-UHFFFAOYSA-N 435.598 1.720 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)c2C#N)C1 1540918013 IVTBNFUAJJVUFT-UHFFFAOYSA-N 443.529 1.964 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1541116124 JZPCLLMMAOGLPT-KFWWJZLASA-N 440.570 1.689 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543492364 NQIXNSZQUIOYJM-STGLLQLASA-N 427.509 1.129 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCS(C)(=O)=O)C2)cn1 1554334671 NKXNRNQGBJJNEL-SFHVURJKSA-N 439.545 1.979 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C(=O)OC)CC1 1555752948 IIMKGBKPORQRFV-KSZLIROESA-N 448.524 1.209 30 10 IDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1557239749 GAINPZPYVLMHRI-FQEVSTJZSA-N 442.541 1.834 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2nc(C(F)(F)F)c(Br)s2)CC1 1559265854 FSZATXAQMIAPTP-UHFFFAOYSA-N 433.275 1.514 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[C@@H]1C(F)(F)F 1564723492 ABCJEFDLJODLCC-OLZOCXBDSA-N 445.446 1.884 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@H]1CCS(=O)(=O)C1 1564794413 BQEIKALELVSUMC-CVEARBPZSA-N 448.495 1.975 30 10 IDEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1587788136 XBWZLEQBLFFBPM-SFHVURJKSA-N 436.516 1.116 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1587975359 YPRXEKCQAQSPSU-GOSISDBHSA-N 449.559 1.855 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC[C@H]1CCOC1 1587984521 DQBMPDGOURRSLJ-LJQANCHMSA-N 439.564 1.965 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588065339 XCYAYANFHPEVMR-FXAWDEMLSA-N 442.589 1.373 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1588068976 DHUQRZIJYJUAPL-IEBWSBKVSA-N 441.557 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)C2)C1 1588126689 UHZRULHHVHXPQH-SHYRYGCCSA-N 444.454 1.910 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCC1 1588185089 ASBLOCTVOMUVRY-UHFFFAOYSA-N 440.573 1.925 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@@H]1OC 1588218813 DEOWFNKPSZQNQD-APWZRJJASA-N 425.489 1.520 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2CCN(CC)CC2)CC1 1588929955 JWWNHNMKHICXPP-UHFFFAOYSA-N 441.624 1.539 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2OCCC2(C)C)CC1 1588961945 QDPYKVHHUNSZMF-SFHVURJKSA-N 442.564 1.181 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@]1(OCC)CCOC1 1589124964 FUWFGOJZDNMPOQ-UWJYYQICSA-N 435.594 1.792 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1589394456 GDBGTPJKUUMBIH-IGCXYCKISA-N 426.315 1.522 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1595545239 SNXZFAHMCGVTNK-CYBMUJFWSA-N 443.533 1.821 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NC(C)C)C1 1595700378 NJOMEEBBYAYNQS-GOSISDBHSA-N 437.508 1.227 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1596450026 WQBUZEMCDHBTAX-QBNCKDSPSA-N 429.525 1.108 30 10 IDEE Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CCC#N)CC2CC2)no1 1611952535 GTPWFBQSVWHWRC-QGZVFWFLSA-N 449.537 1.086 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN(C)CCOC 1614028537 HCLTZQFYMFZHJB-QGZVFWFLSA-N 427.557 1.186 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)C)CC1 1618815259 HJPUZYPTMREUQK-UHFFFAOYSA-N 425.537 1.832 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H]1C 1619937201 CILZBVNWBAGKPN-QGZVFWFLSA-N 425.537 1.452 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(O)c1 1620110746 AQXSWBFVKSAFMY-BXWFABGCSA-N 429.477 1.493 30 10 IDEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)NCC(F)(F)F 1630742593 HWAKWGPRATYPMG-HPZFQONSSA-N 432.443 1.956 30 10 IDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1636142810 VGFCPAVFBJDWKG-UHFFFAOYSA-N 432.477 1.867 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 1636270567 JPCDLTUTISDNGO-OWCLPIDISA-N 430.571 1.798 30 10 IDEE Cc1c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nnn1Cc1ccncc1 1637492697 VGHULYCHOKRSAC-UHFFFAOYSA-N 439.501 1.487 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1 1639232280 HRZQMXFWYVKKLA-NRFANRHFSA-N 440.481 1.247 30 10 IDEE C#CCNC(=O)CN1CCN(c2ncnc3cc(I)sc23)CC1 1639988356 FIIJUNLJTGDJCO-UHFFFAOYSA-N 441.298 1.167 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1642455129 QOVNEYILTRMJNX-KRWDZBQOSA-N 433.534 1.935 30 10 IDEE C#CCN(C(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1644789955 OLGKEESYWWEBPU-GOSISDBHSA-N 441.594 1.954 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OCC 1648779679 OSBZTYZXZFKQLP-CYBMUJFWSA-N 445.856 1.987 30 10 IDEE Nc1nc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc(C(F)(F)C(F)(F)F)n1 1650844990 RXQRSVCFIXTVDN-UHFFFAOYSA-N 444.308 1.834 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)nn1 1664907193 QCOHDMSQSRZKHD-SFHVURJKSA-N 433.534 1.932 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)c1 1665071588 YGWLPDAAJGPCOD-UHFFFAOYSA-N 425.510 1.778 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 1668200483 ZMPXQXBKZRNIOS-SFHVURJKSA-N 444.575 1.698 30 10 IDEE COc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 1679987061 GINCNVWWQAKGLY-UHFFFAOYSA-N 430.486 1.909 30 10 IDEE C#CCN(C)CCCNC(=O)NC[C@H](O)COc1ccc(I)cc1 1681598432 XCURPIWNKQPUNX-HNNXBMFYSA-N 445.301 1.285 30 10 IDEE C=CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2ccc(OC)cc2)C1 1685481323 XKEMPNCMELICCV-FIQGOXITSA-N 426.513 1.732 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CC(=O)N(CCOC)C1 1689833489 KRXJGQKZSTVKMZ-KBPBESRZSA-N 449.353 1.989 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1690017334 BVVRYCOCINHYQL-QFIPXVFZSA-N 437.573 1.393 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(F)cc1)N(C)C 1690102642 QUVFEWCLZXNXOP-RBUKOAKNSA-N 428.512 1.757 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C(=O)NC)CC1 1690150485 KDACGBGXODWGDA-UHFFFAOYSA-N 442.589 1.668 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1CC 1690609121 DSEUFWDOANNUGZ-MRXNPFEDSA-N 445.549 1.668 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1690671288 SUWXWSBKDZKKOG-IAGOWNOFSA-N 427.505 1.751 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690672009 FUVJMFBCFZTTLA-UHFFFAOYSA-N 426.521 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 1690720567 MGBABUSOAZHPHQ-UHFFFAOYSA-N 435.550 1.776 30 10 IDEE C[C@H]1[C@H](C)CCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693698052 AYZATNDHDODMEG-SYWZAZHRSA-N 427.509 1.275 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1C[C@H]1CCC(=O)N1 1693750146 UXOPNBUSOSKCBI-HZPDHXFCSA-N 437.552 1.522 30 10 IDEE CCOCc1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696286627 ILSTXVVEJKUPGZ-UAFUQJIBSA-N 444.536 1.594 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCSC1 1705480864 YUPZWXBHRVOQIC-VLIAUNLRSA-N 448.618 1.873 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1705565206 UBWAIHATMJUZBP-DLBZAZTESA-N 448.545 1.242 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1705604360 KXJMSIAHFYGLGT-PKOBYXMFSA-N 432.594 1.959 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)CC1 1705641859 WSBRFPDRLFPAQX-UHFFFAOYSA-N 440.573 1.471 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1705744636 KIJXUTOIIOTCCI-UHFFFAOYSA-N 438.960 1.636 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705805713 MWDVHKGUHBPSGF-MSOLQXFVSA-N 434.566 1.638 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1705844250 YMHFELSVURHJLS-BBWFWOEESA-N 437.541 1.749 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1705873904 YWJRHQRLJOIXNN-QHCPKHFHSA-N 433.516 1.849 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@H]1CC 1705936106 KBWWEOKFOKQFPV-ARFHVFGLSA-N 430.596 1.406 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1706036495 IDMRQEVAUSYUKS-XXBNENTESA-N 437.548 1.236 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1706219181 FVTHLUDLLGANKK-SFHVURJKSA-N 433.520 1.735 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1706672076 XHOIMIDOQWWIHN-ZPMCFJSWSA-N 433.553 1.989 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=CCC2)C1 1712703291 XBMVDIXKYWBVBT-SFHVURJKSA-N 442.545 1.777 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1722344077 LWQMITQICSFHGV-QFIPXVFZSA-N 446.573 1.981 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)cc1 1722387490 WXGHBECXXWHEMB-UHFFFAOYSA-N 432.509 1.490 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722480813 TWXZHPLHYJMRLV-CHWSQXEVSA-N 437.360 1.534 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C 1722482038 DSCXUIXMDRNJBE-ZDUSSCGKSA-N 448.387 1.297 30 10 IDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722626128 JSVLMYOLFUQQDS-HXUWFJFHSA-N 441.580 1.619 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1n[nH]c(C)n1 1722632270 NAYCRQBKGWCMJV-UHFFFAOYSA-N 430.538 1.487 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1C 1722675372 LSPUXAIFGGZHTR-UHFFFAOYSA-N 433.476 1.930 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC[C@@H](C2CCC2)C1 1722702173 GFPNPWHRHQWSTD-BJLQDIEVSA-N 433.553 1.557 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1722721626 HYZSKPAQGSEZCX-CVDCTZTESA-N 436.516 1.988 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1728645205 GFFIPFQOMMEDAG-OAHLLOKOSA-N 446.577 1.848 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCNc2ccccn2)cc1 1731181320 ACKFFWIAZXIMHS-SFHVURJKSA-N 446.515 1.938 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCN2CCCS2(=O)=O)CCO1 1731186190 AJIIDOAMIIJZOH-LJQANCHMSA-N 444.561 1.218 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1740533622 SHLSSYRFBXSRAI-CVEARBPZSA-N 432.550 1.005 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740626427 AVYNUDWKUZGPBK-LSDHHAIUSA-N 430.621 1.290 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(CS(C)(=O)=O)CC1 1740654732 PHSFZKMVJZPXFG-UHFFFAOYSA-N 431.587 1.922 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1740657955 DHDABCOZMDLLGQ-UHFFFAOYSA-N 436.491 1.433 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2COCCO2)CC1 1740692959 QPWXPGVPSTXVCR-SFHVURJKSA-N 427.505 1.133 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)NC)CC1 1740737916 BTPHTZZYYSKEKC-CYBMUJFWSA-N 430.347 1.873 30 10 IDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740747967 CBZJVMMMQCKAMZ-TXEJJXNPSA-N 440.323 1.740 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1740817617 MPQOYSNWFOILBB-OAHLLOKOSA-N 430.475 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740985206 DHLMBKJHPPMXHF-SQNIBIBYSA-N 425.599 1.549 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1741006217 CWDFHYNOUFMXQI-JKSUJKDBSA-N 429.612 1.814 30 10 IDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1742073423 NSZXPLQWZYBORM-UHFFFAOYSA-N 431.547 1.896 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCC(=O)N(C)C)n1 1742331020 GAUWWEWGBFRJLD-UHFFFAOYSA-N 445.531 1.720 30 10 IDEE CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CCOC1 1748491950 QHLDRZFPNYTOKM-MSYCTHLASA-N 438.532 1.965 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1748751759 LLXCMVVBLWINPF-IAGOWNOFSA-N 448.568 1.818 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN(C(C)C)C(C)C 1748789782 CLNATFANEXJCOY-SFHVURJKSA-N 440.614 1.189 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(c2ccccc2)C1 1748790731 LBYGDKFAXOSWND-UUKMXZOPSA-N 443.573 1.874 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749680593 MNZJIMMBYPIJIL-RBUKOAKNSA-N 438.532 1.715 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 1749681860 JZNPZNHJWKHCDQ-XMSQKQJNSA-N 443.552 1.696 30 10 IDEE COCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1750106476 WHDOLAIRPQMURY-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750680313 DFXOKCAZPYNCSO-NQDNANIMSA-N 444.536 1.560 30 10 IDEE CC(C)N1CCC(O)(Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1750897349 BNTJVFQOPZRQNF-NRFANRHFSA-N 427.528 1.941 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CC=CCC1 1750965859 AUJUCJALDUEWSV-UHFFFAOYSA-N 449.563 1.271 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCOCCS(C)(=O)=O)C1 1751276551 BZCCUMUJKWJEJD-FQEVSTJZSA-N 432.550 1.455 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1760218850 OKRZJBLRPGIUOZ-SFHVURJKSA-N 427.530 1.135 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1760325032 OKESFQNRVPAXST-KNKQGSTJSA-N 444.580 1.734 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1760345236 OVBPICFFBIRIPT-IAGOWNOFSA-N 436.582 1.636 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760365557 BTFFXFMFYDJTFL-LLVKDONJSA-N 437.913 1.176 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760520102 CNNFIUDXNRTRHL-CQSZACIVSA-N 437.953 1.914 30 10 IDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760804695 ATEWPUYIHAZPAJ-PAGHIRBPSA-N 434.610 1.896 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCCO1 1763176714 CCXSXGFVNPYEJI-AWEZNQCLSA-N 434.447 1.725 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1767135496 RXMKGUKWEHZZRJ-VZCXRCSSSA-N 432.488 1.841 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)CC1 1767234042 UXCAJQMDSZIZJF-UHFFFAOYSA-N 441.536 1.721 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1770343959 QPWGBFDTYISUAS-HNNXBMFYSA-N 434.522 1.157 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)ON1C(=O)c2ccccc2C1=O 1772786165 BGTZUGXTYAFGFT-ZDUSSCGKSA-N 426.447 1.069 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 1848878252 COVPXUAPGPTIHC-UHFFFAOYSA-N 434.562 1.590 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3C[C@@H]3C(=O)NCc3ccccc3)CC2)nc1 1851503436 SDHLVYCROHDHAT-LEWJYISDSA-N 433.512 1.571 30 10 IDEE N#Cc1ccccc1N(C(=O)CN1CCNS1(=O)=O)c1ccnc(C(F)(F)F)c1 1852717616 DPALFHCUDAXSGK-UHFFFAOYSA-N 425.392 1.787 30 10 IDEE N#Cc1ccc([C@@H](CC(=O)NC[C@H]2CN3CCN2CC3)N2Cc3ccccc3C2=O)cc1 1853061212 JPCXUUBIILRZDS-JTHBVZDNSA-N 429.524 1.761 30 10 IDEE C[C@H]1Oc2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)ccc2N(C)C1=O 1853218854 GOFKLKKFMNPMGV-MRXNPFEDSA-N 435.484 1.676 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)OC[C@H](C)N3CCS(=O)(=O)CC3)n[nH]2)c1C 1853337582 ADXKOULOQMPUDN-AWEZNQCLSA-N 435.550 1.742 30 10 IDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1855104730 IDTPGNUWRIGICA-QAPCUYQASA-N 433.505 1.743 30 10 IDEE CCOC(=O)c1c(NC(=O)[C@@H](O)C=O)sc(C(=O)OCCOc2ccccc2)c1C 1866089200 CHWXPKLTAFNAML-AWEZNQCLSA-N 435.454 1.967 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(N3CCOCC3)ncnc21 1873561359 MIGOAGLNDZIAFY-UHFFFAOYSA-N 433.516 1.811 30 10 IDEE C#CCN(CC(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1)C(=O)OC(C)(C)C 1985010597 DRHMOLJVLFHBTO-HRCADAONSA-N 425.526 1.637 30 10 IDEE C#C[C@@]1(O)CCCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 2009794301 PYSKKDQLEQKODQ-FDDCHVKYSA-N 430.501 2.000 30 10 IDEE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010403450 DPYYXZAHISWUMS-ZDUSSCGKSA-N 438.359 1.971 30 10 IDEE C=CCC1(NC(=O)[C@H](F)C2(O)CN(C(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 2022828265 WYOFLUCHKDOWFB-AWEZNQCLSA-N 443.516 1.988 30 10 IDEE C#CCNC(=O)CNC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2237391318 ZCRYDAJOSGTEFJ-HNNXBMFYSA-N 438.322 1.751 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)B1OC(C)(C)C(C)(C)O1 2247902784 BTYDASWOGKIPIZ-HUUCEWRRSA-N 446.375 1.464 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2247906577 OUMLBXOFJCJUSA-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2247917678 DOCWSPWYCGPAIE-OLZOCXBDSA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248444742 CXRZBSVVJIUVRH-HNNXBMFYSA-N 440.371 1.939 30 10 IDEE C=C(Br)CS(=O)(=O)NC[C@@H]1[C@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C 2253702124 JSPLRHGNUVPSPS-AGIUHOORSA-N 443.360 1.464 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255526901 BOXOSBJIGGBYRM-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE COC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2255657552 QJDMMJFWJNUPKT-UHFFFAOYSA-N 436.318 1.075 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]21 2255695947 MYAYZKRLPPSZCM-SCAQPMJSSA-N 429.326 1.976 30 10 IDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)COC1 2255711962 GULNYPQLRFSUHA-UHFFFAOYSA-N 435.330 1.585 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CC(OCc3ccccc3)C2)n1 2255796594 SYCSYJQAQPNHMZ-UHFFFAOYSA-N 447.366 1.745 30 10 IDEE C[C@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255839132 QTKXVHGKBIEVTP-QWHCGFSZSA-N 435.334 1.100 30 10 IDEE Cc1nc(NC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2256615794 XDMKBEUSOAPVMK-JSGCOSHPSA-N 436.318 1.297 30 10 IDEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)cn1 2267144003 QGWRNDBZXKHLQV-UHFFFAOYSA-N 446.317 1.682 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267272642 BJDGGIXJUJREDV-JOCHJYFZSA-N 447.341 1.794 30 10 IDEE CC1(C)OB(c2cncc(C(=O)N3[C@H]4CC[C@H]3CN(C(=O)C(F)(F)F)C4)c2)OC1(C)C 2267587690 AYQSQJACMNQYOC-GJZGRUSLSA-N 439.243 1.759 30 10 IDEE CN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286045274 PHCWKFIZDYJWSS-GOSISDBHSA-N 431.470 1.699 30 10 IDEE CS(=O)(=O)N(CCC#N)Cc1ccc(C=C2C(=O)NC(=O)N(C3CCCC3)C2=O)o1 2296650723 HUFQRNYOZKCNCH-UHFFFAOYSA-N 434.474 1.359 30 10 IDEE Cn1cc(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2312856246 YVUQEACIZVHZAM-BPLDGKMQSA-N 432.330 1.457 30 10 IDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 2329018132 MCOSCEPWGHESSP-CYBMUJFWSA-N 432.506 1.176 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccccc1C(=O)O 2330785524 AEDBUYLNYJPRBJ-UHFFFAOYSA-N 433.490 1.786 30 10 IDEE COCCc1nnc(SCC(=O)OC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331293182 DMAIKKDLAYRTHU-UHFFFAOYSA-N 437.434 1.294 30 10 IDEE O=C1O[C@@H]([C@H](O)CO)C(=N/Nc2ccc([N+](=O)[O-])cc2)/C1=N/Nc1ccc([N+](=O)[O-])cc1 15775027 YUUFLFHZQBBXNY-JAPXTXSRSA-N 444.360 1.018 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 107863843 YQHKXLGKKORQBS-IAGOWNOFSA-N 442.541 1.798 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 108625462 LMBGAQUPZNXERB-IBGZPJMESA-N 427.549 1.685 30 10 IDEE CCN(CC)c1c(/C=N/Nc2nnc(SCC(N)=O)n2N)c(C)nn1-c1ccccc1 253575702 UXVUDHDMPULWJH-SSDVNMTOSA-N 442.553 1.356 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1S(=O)(=O)NCC#N 472998305 HXRXEHITURKJIL-GOSISDBHSA-N 432.546 1.708 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c(F)c1 480732952 FFMMOXCZEIOLNF-UHFFFAOYSA-N 427.461 1.861 30 10 IDEE CN(C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481026766 PLZLDAKZQMIQNH-UHFFFAOYSA-N 438.569 1.943 30 10 IDEE COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 494584932 ITNZVSOFWNNIOQ-UHFFFAOYSA-N 430.442 1.622 30 10 IDEE CNC(=O)CN(CC(=O)Nc1ccc(CC#N)cc1)CC(=O)Nc1ccc(CC#N)cc1 507313261 LZWOOGOTOPIRNQ-UHFFFAOYSA-N 432.484 1.444 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2OC)C1 508940227 XLJKHEYVNCXFDH-QFBILLFUSA-N 447.561 1.800 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 513789591 KVVKXOIFCPYPMG-UHFFFAOYSA-N 447.582 1.955 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCc1ccccn1 517839546 ROJMFUSUPPBIBQ-UHFFFAOYSA-N 448.548 1.422 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)s1 523862299 UDLSTESURAIFGM-UHFFFAOYSA-N 445.610 1.730 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)c1 538497658 GZIYRJUBDINXNS-KRWDZBQOSA-N 439.537 1.673 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 555393613 SAFCUFLJKFYRLP-FQEVSTJZSA-N 442.539 1.611 30 10 IDEE N#Cc1ccc(N2CCC(C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)CC2)c(F)c1 556966038 DDWDBLYRFQHNFA-UHFFFAOYSA-N 434.537 1.987 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C 603800090 SUVZKGOQZVPQPM-UHFFFAOYSA-N 448.548 1.648 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@@H]1CCCO1 603801167 ZBSJAWMUOJUAIC-SFHVURJKSA-N 425.554 1.817 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670222209 NQXBKOPVTQFGDA-QUCCMNQESA-N 443.596 1.469 30 10 IDEE O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 726366186 SVASOBKZDIRWPI-ZZXKWVIFSA-N 449.554 1.897 30 10 IDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 727417596 HXUQJJXHYLYAAT-UHFFFAOYSA-N 447.516 1.343 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C4CC4)[C@H](C#N)C3)nnc12 732665365 ZDDVJJIISRSTDY-MRXNPFEDSA-N 449.540 1.521 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(CCC)c2=O)cn1 735068458 BXQGGPNNAAQDRX-UHFFFAOYSA-N 437.573 1.796 30 10 IDEE C[C@@H](OC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)Nc1sc2c(c1C#N)CCC2 744772356 HEPFEXAXUKQVSS-BXUZGUMPSA-N 425.532 1.793 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(C)cc1OC 747249223 AORDBHPOTCBDMW-GFCCVEGCSA-N 436.349 1.577 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)CSc2nnnn2CC(F)(F)F)CC1 750045545 KMFIUWHBJVDVTN-UHFFFAOYSA-N 425.440 1.984 30 10 IDEE C[C@@H](OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)Nc1cccc(C#N)c1 755186964 OWBWZQBSIJJEQQ-PBHICJAKSA-N 444.488 1.944 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1 755547687 AXYLLPJIPIBGFY-QAPCUYQASA-N 443.504 1.337 30 10 IDEE C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760552895 SIRVOYKOIRFQJF-OAQYLSRUSA-N 435.444 1.408 30 10 IDEE C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(NS(C)(=O)=O)c1 760989242 VGTZTQWQERUNFP-HNNXBMFYSA-N 428.518 1.918 30 10 IDEE Cc1cc(C)cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771543243 MGIXRTUZKNCLSO-MRXNPFEDSA-N 427.534 1.670 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCc2nccs2)C1=O 809943641 KXBCHZIPTDQIFP-CQSZACIVSA-N 431.543 1.942 30 10 IDEE O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 919710507 RYWZIXMQXIOJER-ZDUSSCGKSA-N 433.515 1.201 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3CC2)cc1 919895511 YUPQUDFIPKPKOY-UHFFFAOYSA-N 428.510 1.856 30 10 IDEE CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N1CCOCC1 1130119884 BLWYPXLPIYICLP-IBGZPJMESA-N 435.546 1.767 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(CN2C(=O)CSC2=O)c1 1137631113 DADLIJJEXUDOFK-VHEBQXMUSA-N 428.470 1.415 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nnnn3CC2)cc1 1141966458 DBLVYPDUMDHECX-DPFXTCQJSA-N 445.549 1.857 30 10 IDEE C[C@H](CC(=O)N[C@H](CCN(C)C)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 1156148516 UQTRBHDFZAHOLI-CRAIPNDOSA-N 429.546 1.708 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1158467564 XYJSGQRZJSHEFY-MRXNPFEDSA-N 429.498 1.406 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3cn(C4CC4)c(=O)nc3O)CC2)c(Cl)c1 1254737267 BXFDLCBVMXIVEY-UHFFFAOYSA-N 428.880 1.841 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1286384190 QCKBXYZGKIANIL-SFHVURJKSA-N 429.502 1.218 30 10 IDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)(=O)CC1 1286534579 GSFYWRQYTSJZJC-UHFFFAOYSA-N 441.307 1.817 30 10 IDEE C=CCCOCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286712595 DRMFFIIDGPHYOY-UHFFFAOYSA-N 440.595 1.709 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1286772359 BYPFEQVNFDYWDH-KRWDZBQOSA-N 426.583 1.904 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286790258 MAEAFVBBXSJVSI-IBGZPJMESA-N 445.589 1.769 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(Cn2cncn2)CC1 1286817302 RATZKOIWVJXUSD-UHFFFAOYSA-N 442.549 1.449 30 10 IDEE C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1291146098 WUYRYSWTMJSOLO-HYLQGWQCSA-N 441.536 1.523 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC[C@@H]1CCCO1 1293113335 FLHOGTXIIBSUQN-ROUUACIJSA-N 440.552 1.803 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1296535255 DQHICRGYGBGIKE-PKTZIBPZSA-N 440.548 1.505 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1300308480 CCHPCEDCIBNKOE-MJGOQNOKSA-N 447.561 1.456 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1300381869 WQKHJTBFDBDFHN-IAGOWNOFSA-N 447.561 1.968 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1c(O)nc2ccccc21 1300553273 AVYXPQIALQBIJR-PXNSSMCTSA-N 434.500 1.830 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(OC)CCOC1 1300625238 CZRYXJCEAHXRMD-QFIPXVFZSA-N 425.537 1.717 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1300762611 KOSVWEPGIZZCLV-MRXNPFEDSA-N 448.570 1.912 30 10 IDEE COC[C@@H](F)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1301067423 LIFIJHQNFDCAJP-IRXDYDNUSA-N 430.488 1.165 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1301107570 FYNXUVHXGUYIAP-UHFFFAOYSA-N 446.577 1.709 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCOCC1 1301286195 BTQWRDZOUWYJOA-UHFFFAOYSA-N 447.609 1.971 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1301491449 JTTUBBKJFNBXQH-UHFFFAOYSA-N 448.531 1.503 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2cncn2)C1 1301509682 LTYZNXVLCWOSBL-SFHVURJKSA-N 436.520 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 1301575305 DOCJBOFSGOGNQJ-UHFFFAOYSA-N 442.545 1.476 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCOCC2)CCOC1 1303490596 UYSHKRAZFLHBPR-QFIPXVFZSA-N 446.552 1.341 30 10 IDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1309650601 NHIUXPQNHLKAIJ-BBWFWOEESA-N 428.576 1.406 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N(C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 1312354187 UUWYVJZDVZIKJH-HNNXBMFYSA-N 429.564 1.530 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCOC)CC1 1313991766 UDQPVJAUVHMMAK-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE CCS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1314551848 LNWQRMGQEKIIBH-MRXNPFEDSA-N 436.513 1.066 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314578228 VMWKTLCUSUEHRT-BJLXPSRBSA-N 429.550 1.491 30 10 IDEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1314824054 WECUEQRCVZHTHQ-SFHVURJKSA-N 425.461 1.458 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1315071117 BZDRXYJHXMMYOE-UHFFFAOYSA-N 425.518 1.321 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1315238087 AFVTYUHKFZJZLU-JOCHJYFZSA-N 434.504 1.975 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358965358 SYYZONQFCJWYOZ-FQEVSTJZSA-N 442.589 1.377 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCN(C(C)C)CC2)CC1 1359033281 WJZKOLKBOBKDDA-UHFFFAOYSA-N 447.587 1.807 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(OC)CCOC2)CC1 1359036637 CRTIRJVXUULKCB-HSZRJFAPSA-N 425.533 1.438 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1359092332 ZPCKGECGZPXKJW-NJAFHUGGSA-N 436.582 2.000 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359106068 XGFLSVFNHHOKAE-UGKGYDQZSA-N 446.596 1.540 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359132793 FQRFILUGNDTNJH-VQTJNVASSA-N 446.596 1.855 30 10 IDEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC)C1CC1 1359249742 NURWVGAQXDJDGQ-UHFFFAOYSA-N 431.566 1.871 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1359296867 XGTIJQMUWRNKGA-UHFFFAOYSA-N 431.504 1.179 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1359297355 NRCYFZHFIRYKJB-UHFFFAOYSA-N 441.442 1.995 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1359303585 UMMWPEBOJMGDDV-HSZRJFAPSA-N 425.533 1.751 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359304783 JHOCKWKIZIJSSX-MOPGFXCFSA-N 445.495 1.683 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359336063 DDYRRXOKRUWSTK-FRQCXROJSA-N 426.539 1.115 30 10 IDEE N#CCCN(C(=O)CCC(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1)c1ccccc1 1454452154 ZVIZWJOSKGUODP-FQEVSTJZSA-N 446.573 1.435 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)N(CC)CC)CC2)c1 1463983493 MZVJTTJNOOJGJH-UHFFFAOYSA-N 436.578 1.214 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1469509508 JIRXDTQREYJLLG-GJZGRUSLSA-N 439.500 1.952 30 10 IDEE COc1ccccc1[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)OC(C)C 1469878321 XVJAWSDFRQMIJV-GOSISDBHSA-N 427.461 1.562 30 10 IDEE C=C(CC)CNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1470503912 JCCZOQDAPXFKKZ-UHFFFAOYSA-N 442.925 1.653 30 10 IDEE C=CCn1cc(CNC(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)nn1 1470585045 ZWESQLMOBWAPGB-KRWDZBQOSA-N 449.556 1.559 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)C1 1478351410 XMAFKOPAGPXNDH-GOSISDBHSA-N 436.553 1.766 30 10 IDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1503616905 YLKDSEVUDXRVGV-FQEVSTJZSA-N 437.504 1.867 30 10 IDEE COCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504853510 CXGASDJGHBWLKJ-KRWDZBQOSA-N 427.557 1.356 30 10 IDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1505136428 BMUVIECOPQNHBQ-UHFFFAOYSA-N 442.545 1.681 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507561391 PXLUBNGJVOTENY-IRXDYDNUSA-N 434.566 1.037 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C 1507617100 QRONATSPROSTKV-CVEARBPZSA-N 446.552 1.571 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1507630859 IYSDPTPCWICRSV-SFHVURJKSA-N 439.545 1.562 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1507635584 XPFKYNZNTSQFCW-GOSISDBHSA-N 435.594 1.506 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N(C)C)CC1 1507719572 OUAVFGYTWFAISV-UHFFFAOYSA-N 431.338 1.551 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1507739430 PXXBKBDDKHAWID-AEFFLSMTSA-N 430.553 1.053 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507801365 UQBHBWXMUKBUNS-HZVKZAKPSA-N 446.596 1.756 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(=O)(=O)c1ccccc1 1507980369 GHQFVPNQHCRIPZ-MRXNPFEDSA-N 438.575 1.666 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508075470 XCWBVEMHWPTWTF-HNNXBMFYSA-N 442.520 1.322 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H]2COCCO2)C1 1508118020 VTKXTWNWWPAUPE-XQBPLPMBSA-N 436.553 1.906 30 10 IDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1509521756 FPJYWJXMFOIASA-UHFFFAOYSA-N 438.580 1.367 30 10 IDEE COCCN(C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1519112677 ANIRTJGIJFHSME-IPMKNSEASA-N 434.585 1.894 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC(=O)N2)c1 1519513353 XUVDNJDEKQJEGZ-QGZVFWFLSA-N 442.545 1.757 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1539359657 NGCAPCGXBVWZRO-KDURUIRLSA-N 449.563 1.880 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1539408972 KAXXYVMXRWOCMC-UHFFFAOYSA-N 449.559 1.677 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539750477 AAZLZJAHHNCRQR-IBGZPJMESA-N 432.569 1.513 30 10 IDEE C=CCCCn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1539981337 FOIKJKLUJBRBTI-OAGGEKHMSA-N 425.555 1.679 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1540200938 LPVGLKGFTPIIGU-MSOLQXFVSA-N 448.593 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)C1 1540864981 QVMFSVLNURZOOP-UHFFFAOYSA-N 435.525 1.835 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540868031 PLCPSNGKKBNQHD-UHFFFAOYSA-N 436.520 1.569 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1540871864 VTGKFDIVVDEZCS-MJGOQNOKSA-N 433.553 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1540900780 HWONYHVNFMWJHC-UHFFFAOYSA-N 440.533 1.058 30 10 IDEE CC(C)(O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541243925 LSPLNJJKESUFIY-UHFFFAOYSA-N 425.493 1.210 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cccnc1OC 1546587286 HLZPLICKEGJESB-LJQANCHMSA-N 447.499 1.895 30 10 IDEE CCNC(=O)C1(Cn2c(COCC)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCC1 1547757878 XMDLVJFKLAPTSZ-UHFFFAOYSA-N 439.520 1.656 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(I)c(C)c2C)C1=O 1584929549 JGPKZDCKNDBUHZ-UHFFFAOYSA-N 441.225 1.823 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1587777376 CNWUSDGQTRPMEC-IEBWSBKVSA-N 436.516 1.680 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1588646090 GRKSELUAAVIHHQ-FCHUYYIVSA-N 439.560 1.942 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1588646906 PAJCIPNEARQFCW-VQIMIIECSA-N 446.529 1.311 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(C)COCCO2)CC1 1588876713 GOEKPXFKIQWWRR-PWHSHALESA-N 431.581 1.757 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)COC(=O)N2 1594454948 JZIGTCBKJZOKQC-CQSZACIVSA-N 440.570 1.569 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1595267459 XJLNIUMLBRVLOJ-MRXNPFEDSA-N 448.549 1.532 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)NC)C1 1595700152 LDPLRTAKZNWQAU-KRWDZBQOSA-N 442.545 1.824 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccs2)C1 1595715307 VCELHOYRHIOQCW-MRXNPFEDSA-N 427.534 1.951 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1595784898 MUYIFDRPRPYPKM-MSOLQXFVSA-N 448.593 1.922 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1610053903 CUIOJJUGYQGPAP-OAHLLOKOSA-N 434.508 1.175 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1612916451 BIHDHZZAEJBHSU-HZSHHLKBSA-N 447.499 1.958 30 10 IDEE COC(=O)C1=C2CCCCN2C(=O)/C(=[IH2]/c2ccccc2)C1=O 1615217153 OJDNYLRXKXONAY-UHFFFAOYSA-N 427.238 1.486 30 10 IDEE CCOC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1616000390 VPQYEPFMSJVGIE-UHFFFAOYSA-N 427.465 1.192 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCN2CCC(O)CC2)CCOC1 1616222226 AUHQHCOYUHHNNT-GOTSBHOMSA-N 446.596 1.907 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1617611918 BLPYUAOSLFUAEI-UHFFFAOYSA-N 441.499 1.498 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1618717068 RSCKZJSGZPSTQF-VQTJNVASSA-N 438.532 1.709 30 10 IDEE COC1CCN(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1619505854 GATBTTNDRCNJGM-GOSISDBHSA-N 428.541 1.297 30 10 IDEE COC[C@@H](F)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619623495 PYPBOSWTEYQIRA-SFHVURJKSA-N 436.495 1.842 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(C)=O)c1 1620025455 PZROSBGMGAEAKG-DNVCBOLYSA-N 428.493 1.738 30 10 IDEE CC(C)N(CCCNC(=O)CN1CCC(Nc2ccccc2C#N)CC1)S(C)(=O)=O 1620462410 ZLPPGSGZLVHBIE-UHFFFAOYSA-N 435.594 1.611 30 10 IDEE CN(C)CCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCS(=O)(=O)C1 1621639947 XNLWWBIKABASRW-QGZVFWFLSA-N 442.379 1.831 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N[C@H]3CCCN(O)C3=O)c2C(F)F)C1 1625082986 ZCXBAOJQJHFTFL-MNOVXSKESA-N 444.439 1.508 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCC[C@]3(O)C(=O)Nc4ccccc43)ccc2c1=O 1633501622 VAQDMISLGQYBIL-JOCHJYFZSA-N 436.493 1.831 30 10 IDEE C#CCn1cc(CNC(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)cn1 1634634893 ANEZWWFIKKDQMT-JOCHJYFZSA-N 448.520 1.480 30 10 IDEE COC(=O)C[C@H](C)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1635331433 NOFUXSWFIZPDTA-AWEZNQCLSA-N 449.349 1.853 30 10 IDEE C=CCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1635698152 IZYYFVUONCUHND-MRXNPFEDSA-N 428.482 1.474 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)OC)ccc1F 1637621542 FJKFQESMDQJPHE-GOSISDBHSA-N 448.472 1.736 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccsc2C#N)CC1 1645391060 GZCRBBHQPCHHHT-CQSZACIVSA-N 429.527 1.507 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)s1 1645855390 JREJEHSTDTZKDH-OCCSQVGLSA-N 448.526 1.484 30 10 IDEE CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1646133100 PHCCJAAKWRTQMH-SJORKVTESA-N 425.489 1.669 30 10 IDEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@](C#N)(c2ccccn2)C1 1647980703 IKBPEZKDYFHEAZ-JTSKRJEESA-N 441.557 1.334 30 10 IDEE C=CCN(C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2)[C@H]1CCS(=O)(=O)C1 1652734937 KLHPJTXEZLIUKI-ZWKOTPCHSA-N 446.491 1.842 30 10 IDEE N#Cc1cccc([C@H](O)CN2CCN(c3ncc(I)cn3)CC2)c1 1654442763 LHXBOWIDCVJMGP-MRXNPFEDSA-N 435.269 1.808 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 1654975322 AUWUFRVUQLERNE-KRWDZBQOSA-N 431.537 1.297 30 10 IDEE C#CC1(F)CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1 1682276813 XGOKWJYFPNKIML-CQSZACIVSA-N 444.326 1.969 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2COCCO2)c1 1689870446 OFGISRYYXHELSV-HXUWFJFHSA-N 432.484 1.812 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC#C)CC1 1689916467 KTJWFQFWJJBXOT-UHFFFAOYSA-N 440.573 1.364 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689990850 SPMGZXWNCSWUQR-PKOBYXMFSA-N 446.577 1.545 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1690013646 XUZPVDTVDGNYRK-KRWDZBQOSA-N 434.500 1.409 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](COC)OC 1690029602 DXOUEFQMGWSTGK-FGTMMUONSA-N 431.537 1.783 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1690286014 XJWUFFNFKWEFLE-MRXNPFEDSA-N 426.525 1.711 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690613236 ABSFRMLHFDOJQJ-HXUWFJFHSA-N 431.518 1.005 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3NC(=O)CC[C@@H]3C2)cc1 1690678459 WSYXDRKRRWAQBL-IEBWSBKVSA-N 438.532 1.744 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)CCCO2 1692766381 UKQINZKOCGRWIP-HUUCEWRRSA-N 432.550 2.000 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCS2(=O)=O)cs1 1693353608 RLTCOSIJDISGBL-QGZVFWFLSA-N 439.542 1.111 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1693406944 DKDDWEVLJQBSDF-IBGZPJMESA-N 448.531 1.996 30 10 IDEE CCN1CCN([C@H](C)Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CC1 1695873887 ZFCSMNUEBVTNNN-VIZSFHNOSA-N 447.628 1.941 30 10 IDEE CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCSCCCO)CCN2C1=O 1696875897 FSNGTCXYTNKCCV-SFHVURJKSA-N 441.561 1.488 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1Cc1cnnn1C 1698048951 CWLXLAQOLFOBQC-UHFFFAOYSA-N 431.504 1.985 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698486510 LTKFTALIHFPFBU-IGCQWYOMSA-N 427.484 1.979 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705475544 MOQRJIYEDJKWGV-PKOBYXMFSA-N 440.548 1.947 30 10 IDEE C#CCN(c1nnc(C)n1CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705561787 UDPQIPSRKUTBBS-INIZCTEOSA-N 425.555 1.518 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705563926 HZESWYYSTILPLX-OFJJUDJNSA-N 449.602 1.514 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705567330 WQVUFCXAFOXMHW-ZWKOTPCHSA-N 427.530 1.213 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705571303 XWHIQTUWTSYARE-ICSRJNTNSA-N 429.590 1.754 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705733300 LFLWJMAIBJJEFS-IEBWSBKVSA-N 430.505 1.907 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](COC)C1 1705738438 XZWMYWGNFRQQHE-LJQANCHMSA-N 426.521 1.961 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705844319 ZSNXMYQYHXLESV-QGZVFWFLSA-N 438.575 1.395 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1705917888 YWECVHSIBLFYNY-WZONZLPQSA-N 443.548 1.810 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1708146685 GFEBVBZJHQQNQC-OAHLLOKOSA-N 433.472 1.393 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1708275319 BRAZHUQHKUUVFX-BTYIYWSLSA-N 445.545 1.370 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1711201147 ZNDNGPPDFVGVIX-QHCPKHFHSA-N 438.532 1.711 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1712317673 BBTKXHXJVHYAOH-JOCHJYFZSA-N 441.532 1.990 30 10 IDEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@](F)(C#N)C1 1712389256 LMVYQVUGXDGZLT-LJQANCHMSA-N 436.513 1.674 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1722291169 CZVFBQQTFYOPLQ-ZWKOTPCHSA-N 449.559 1.854 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1722428832 KVLUDOSABQATNK-RBUKOAKNSA-N 437.610 1.387 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2n[nH]c(C)n2)CC1 1722434600 WJEBIRONXBCKAE-UHFFFAOYSA-N 436.520 1.387 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1722442319 VFSJWJKAJZRCSO-SLFFLAALSA-N 430.597 1.773 30 10 IDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1722460115 CCSPCHASOZFHQN-GOSISDBHSA-N 442.545 1.618 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722500022 OWHDSTSNVCEWFL-SBHAEUEKSA-N 446.596 1.757 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1722523333 NTMCYUMBLBJHDC-MCIONIFRSA-N 437.488 1.822 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722574900 SPXCJSKHWCNSNL-UAGQMJEPSA-N 427.571 1.342 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722627897 PYKZHWVDKKBILH-GOSISDBHSA-N 430.553 1.661 30 10 IDEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722629698 MYASSSNUOMGTJQ-OAHLLOKOSA-N 432.475 1.954 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722695068 RKFNYEWQJNPTKO-QGZVFWFLSA-N 434.460 1.388 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1722699231 SRNXEAMKTWYCFB-GOSISDBHSA-N 430.553 1.313 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722701274 LKQIZLCTAPPHKL-MRXNPFEDSA-N 442.568 1.888 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1729556413 DVBWTERLVQOLMA-GHTZIAJQSA-N 445.545 1.636 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740577002 OUCOIBCMEDRWIZ-FQEVSTJZSA-N 427.597 1.420 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1740645727 KVLOQWMGWCREQU-QGZVFWFLSA-N 448.593 1.142 30 10 IDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCS(=O)(=O)C1 1740674143 VZPZVFCVDCIXHW-OAQYLSRUSA-N 427.530 1.290 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)C(C)C)CC1 1740699148 WAWBLAIRTBXTNJ-UHFFFAOYSA-N 426.569 1.057 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1740725508 RBWSDCDCGZFZLE-VBKZILBWSA-N 445.549 1.419 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740795625 ZNKMEEXRWDDRBH-AEFFLSMTSA-N 431.541 1.949 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1743950023 CIDWQCNCALMZBF-NZSAHSFTSA-N 429.546 1.983 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1746524786 VGGVBBYCSYRSCP-UHFFFAOYSA-N 440.552 1.246 30 10 IDEE CN(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1747606612 BFCRAQPCOWYUJQ-MOPGFXCFSA-N 428.562 1.866 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 1747656007 FHUVYVFDJVBETG-IAGOWNOFSA-N 431.518 1.389 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1749065790 BKSSRRBGXHCQRK-FOIQADDNSA-N 433.509 1.785 30 10 IDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1749187453 LQSKHCLOTDWEMB-UHFFFAOYSA-N 430.534 1.639 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1749193717 MYNUNOHAFZTALE-GFCCVEGCSA-N 430.456 1.992 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749219238 AVFPCBOFKMDCBR-IBGZPJMESA-N 444.561 1.927 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1749697859 NLOCXXHDVRROEM-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1750345331 IQIDCOZLJHSDRN-IPWSYGNPSA-N 425.468 1.585 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1750564178 ADHKBINFULMKHQ-KRWDZBQOSA-N 444.561 1.460 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760189849 MHVNVDQNTPGWSW-MOPGFXCFSA-N 429.546 1.460 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C 1760207222 BAEUWDNXBMGQHY-KRWDZBQOSA-N 426.546 1.063 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1760217456 BNRRYLGEIRYXOB-HXUWFJFHSA-N 430.512 1.867 30 10 IDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)COC1 1760244062 LJBAMQFUBRISDP-UHFFFAOYSA-N 446.577 1.669 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)N(CC)CC)CC1 1760255572 FHBHEOHMKFKULH-IBGZPJMESA-N 448.579 1.406 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[S@@](=O)C(C)(C)C)CC1 1760268052 BFBOOILJOZWGSF-WJOKGBTCSA-N 445.593 1.192 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](C)N2CCOCC2)CC1 1760269481 JDYNEDQBFWPIGO-SFHVURJKSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760270242 VHYUGSBKPNSZOI-IBGZPJMESA-N 447.605 1.869 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@H](C)C1 1760324394 KAEVSXWRLJXTSE-KNKQGSTJSA-N 446.596 1.539 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760425798 VWEPUMVLFZKEHA-IRXDYDNUSA-N 435.536 1.962 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760548821 QEPKHVDLBLSIHB-SJORKVTESA-N 437.566 1.120 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)F)CC1 1760551909 WGNLOSWSVVVZEN-UHFFFAOYSA-N 429.493 1.834 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1760692654 BYFAGRNKAIHQOQ-APWZRJJASA-N 425.537 1.814 30 10 IDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN1CCCO 1761020228 BEDATXJRTIPDHJ-IBGZPJMESA-N 439.564 1.858 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC[C@H]3COCCO3)CC2)c1C#N 1762403469 VOHHDEAAMZRJSV-SFHVURJKSA-N 442.568 1.522 30 10 IDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)OC 1764230287 FFRVVPPMRFTAST-QZTJIDSGSA-N 437.504 1.714 30 10 IDEE CC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1765185896 NNEXUIOSMKSJSS-RHSMWYFYSA-N 434.522 1.360 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1767916552 HCAYBHZVFQQDMJ-ZYSBOAIWSA-N 443.529 1.639 30 10 IDEE COC(=O)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1767949981 PJFSNNOFZBBXNM-STGLLQLASA-N 443.508 1.349 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1769547998 DUOKBXSUZRLFKU-PXNSSMCTSA-N 433.534 1.228 30 10 IDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1771015498 IQVWTSOECJJEGV-UHFFFAOYSA-N 439.564 1.844 30 10 IDEE NC(=O)c1c(NC(=O)CCC(=O)ON2C(=O)c3ccccc3C2=O)sc2c1CCC2 1772792743 NAAHXHNKILCVIW-UHFFFAOYSA-N 427.438 1.809 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#CCN1CCc2ccccc2C1 1850064043 UVYSLYHORRUSAW-QGZVFWFLSA-N 429.517 1.670 30 10 IDEE CN1CCC(N2C[C@H](C(=O)Nc3c(C#N)cnn3-c3cccc(Cl)n3)CC2=O)CC1 1852100720 DTPOXGMQEIQMFU-CYBMUJFWSA-N 427.896 1.674 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)COc3ccccc3C#N)CC2)cc1 1852189907 CQDZKRUXYZCHLA-UHFFFAOYSA-N 443.525 1.795 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1 1856397889 NRPWPGCYVLZFBD-NVXWUHKLSA-N 436.509 1.342 30 10 IDEE C=CCOc1ccccc1OCC(=O)NC[C@H](O)CN(C)S(=O)(=O)c1ccccc1 1868039170 SJOZISVSLHYUKP-KRWDZBQOSA-N 434.514 1.428 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2cccc(NC(C)=O)c2)cc1 1870095719 UGGRKBYUTWYSNS-UHFFFAOYSA-N 439.457 1.857 30 10 IDEE COc1ccccc1[C@@H]1[C@H](C(=O)NCC#CCN(C)C)OCC(=O)N1C1CCCCC1 1889291441 DQRULSWJSOUDOD-DHIUTWEWSA-N 427.545 1.978 30 10 IDEE Cc1c(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] 1890180075 UBCCGIYOGIDXPA-UHFFFAOYSA-N 428.533 1.704 30 10 IDEE CN(C(=O)CN1C(=O)c2cccc3cccc(c23)C1=O)C1CN(c2nccnc2C#N)C1 1891940810 YVVYUFKYYJUWFN-UHFFFAOYSA-N 426.436 1.445 30 10 IDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1984789097 RRWQBDSOBADRPK-ZIAGYGMSSA-N 427.498 1.777 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 1986132528 RUMCJYAJDXOHKA-XHSDSOJGSA-N 425.526 1.780 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)OC(C)(C)C)C1 2006512762 REZPOECOXRKRCM-WFASDCNBSA-N 425.345 1.840 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2248433058 FFWIEVXIXALZBC-UHFFFAOYSA-N 438.355 1.957 30 10 IDEE CC(C)(C)OC(=O)N1CC(Oc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)(C(=O)O)C1 2254752921 XWKNCVFBIDRBKX-UHFFFAOYSA-N 438.261 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](CO)C1 2255849686 QBFVKYRVYCZRIN-AWEZNQCLSA-N 436.314 1.633 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2267263932 LMERJDIGGYNMMN-KBPBESRZSA-N 449.361 1.538 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2267270794 NSVYTVKYNCWFQL-KDURUIRLSA-N 434.349 1.980 30 10 IDEE C[C@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2267503733 IKEUQLGYMGPEHY-AAEUAGOBSA-N 444.263 1.248 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](O)[C@@H](F)C3)cc2Cl)OC1(C)C 2282307256 ZHLBYEZEQKMCBG-WDEREUQCSA-N 425.740 1.794 30 10 IDEE CCOc1cc(C(=O)N[C@H]2CCN[C@@H](C(=O)C=CC(=O)O)C2)cc(OCC)c1OCC 2328147351 LQOCIIVMWITOOL-JKSUJKDBSA-N 434.489 1.943 30 10 IDEE Cn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 2328607973 IYRHBAGVHYXAMR-UHFFFAOYSA-N 433.428 1.836 30 10 IDEE COC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330971180 BXIUSBYJVQFDTP-CYBMUJFWSA-N 449.445 1.956 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)n1C 2337324191 RFZVUXDFKRZFRR-GJZGRUSLSA-N 446.357 1.862 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342576062 DRRJFHWESABFPO-AWEZNQCLSA-N 435.153 1.825 30 10 IDEE CCn1cc(C(=O)N[C@@H](CCO)COCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2343500356 PXMSESICAMZLTC-SFHVURJKSA-N 443.353 1.900 30 10 IDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)c1ncc(I)s1 2365196118 JCFFRCGTDMGRBW-SCZZXKLOSA-N 428.317 1.196 30 10 IDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2367831954 VTKQQPDRYWKOGE-LJQANCHMSA-N 434.558 1.709 30 10 IDEE CC(=O)O[C@@H]1[C@H](COP(=O)(OCCC#N)OCCC#N)O[C@@H]2COC(C)(C)O[C@H]21 306147376 YDWCHPGRHWOJBO-QKPAOTATSA-N 432.366 1.822 30 10 IDEE in-vitro COc1cccc2c1CCN(C(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 427621651 DSYVXIYFNGYPPF-UHFFFAOYSA-N 430.468 2.022 30 10 IDEE CSc1nc(O)c(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1C#N 442971640 WIZBCOFKCJBMDP-UHFFFAOYSA-N 428.442 1.367 30 10 IDEE Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 462438130 VLSJWXPPJXGVGG-UHFFFAOYSA-N 439.537 1.528 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3nnc4n3CCCC4)CC2)cc1 483436729 FAOPLNWDCWTLKU-UHFFFAOYSA-N 442.545 1.246 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)cs1 514329914 QNEYJYJDXVHKDQ-OAHLLOKOSA-N 432.571 1.129 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 515658546 IJBROQCHCCLRTC-UHFFFAOYSA-N 427.489 1.291 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCOC2)c1=O 542730010 XXGBJKPNXJLJOI-OAHLLOKOSA-N 441.509 1.891 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)n1 546877121 NWQYUCDMOHMSAD-MRXNPFEDSA-N 431.543 1.517 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)COc2ccc(C)cc2)CC1 549730394 DJJVPTMZWHBJTR-HXUWFJFHSA-N 441.532 1.978 30 10 IDEE COc1ccc(OC)c(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 550351304 FGWURUWCZFDEBN-FQEVSTJZSA-N 436.512 1.599 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCO3)CC2)nc1 555401394 VXPFMIZJLDFKSG-QZTJIDSGSA-N 425.493 1.138 30 10 IDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 558964632 RQTOSUDEHSWYQQ-UHFFFAOYSA-N 437.548 1.905 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3)c2=O)cc1F 577456932 MMVVLINIHVQGBK-UHFFFAOYSA-N 441.459 1.825 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CCN1Cc1ccccc1 577882471 YJDPIDDGNIBIJG-NHCUHLMSSA-N 431.496 1.145 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)cc1 584561132 TWHHZHDNLUXCKB-IBGZPJMESA-N 444.557 1.478 30 10 IDEE C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(S(N)(=O)=O)cc1 611931008 AGJMHQZAPBZNAQ-YJBOKZPZSA-N 447.586 1.455 30 10 IDEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105930 QGNKDAXMLRHXDO-QMHKHESXSA-N 438.532 1.739 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)n1 682876554 ZVUYDYOMRUCQMH-QGZVFWFLSA-N 439.537 1.755 30 10 IDEE C[C@H]1Oc2ccc(C(=O)COC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2NC1=O 728095444 DGMSVQLRTGOFPW-CYBMUJFWSA-N 442.449 1.619 30 10 IDEE C#CCOc1cccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 731127307 AVHBRTDRFCQELM-UHFFFAOYSA-N 436.512 1.584 30 10 IDEE C#CCN(C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCS(=O)(=O)C1 731212641 AXGJIOLYYJRHSA-UONOGXRCSA-N 436.755 1.965 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 734291132 HBMKREHCFLUJDK-UHFFFAOYSA-N 435.527 1.853 30 10 IDEE N#C[C@@H](C(=O)c1cccc(-n2cncn2)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 734706737 UMLAHHLZSOMDBW-FQEVSTJZSA-N 445.439 1.847 30 10 IDEE CCOC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 741249773 YHPZOOWFHTVWDQ-OXJNMPFZSA-N 444.532 1.620 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 748063918 FNXSKLGQCWTRML-UHFFFAOYSA-N 446.532 1.885 30 10 IDEE CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749856045 AAKUIUQLRXQOQQ-HNNXBMFYSA-N 440.569 1.770 30 10 IDEE COc1cc(CC2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)cc(OC)c1 754378680 KTQWWJJOAVESOF-UHFFFAOYSA-N 429.498 1.443 30 10 IDEE CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 754530479 VATNFJRLRVQEIL-WIYYLYMNSA-N 446.596 1.921 30 10 IDEE C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 759715072 DBOLICDENYOKMD-ZSOIEALJSA-N 449.558 1.407 30 10 IDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3OC)cc2F)CC1 766988656 SVFNPUSBSDZZCI-UHFFFAOYSA-N 446.504 1.967 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 774191369 HGUKIEXXKWWZSM-JKSUJKDBSA-N 425.938 1.759 30 10 IDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 775154037 FDUACICHGOFNGN-XBDRKGEXSA-N 426.477 1.134 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)c3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796624857 CVVRWZTUHOHVQP-AEFFLSMTSA-N 429.502 1.485 30 10 IDEE Cn1nnnc1-c1cccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 796815042 BVSOFRLEFDVBRU-UHFFFAOYSA-N 426.433 1.425 30 10 IDEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2CC2CN(S(C)(=O)=O)C2)n1 803181213 FUPIONRDCWIHIR-UHFFFAOYSA-N 429.531 1.341 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 805779597 AQPBFVJDEQLZAK-OAQYLSRUSA-N 434.544 1.779 30 10 IDEE CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 806780711 FDQLPYOMKZUYJD-NHKNDPDJSA-N 447.536 1.945 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 809890111 UBWGZEBUELSXMF-CVEARBPZSA-N 434.541 1.735 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 813803370 FSZMACAHUMKPBV-KRWDZBQOSA-N 435.569 1.405 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)n1 849590084 WPHZKPJQGRCXPD-FGZHOGPDSA-N 426.565 1.739 30 10 IDEE C#CCN(CC(=O)NCc1ccc2c(c1)OCO2)CC(=O)NCc1ccc2c(c1)OCO2 914867687 ZEQIWFVTSXFEIE-UHFFFAOYSA-N 437.452 1.012 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCCN1CCN(c2ncccn2)CC1 1136134994 LMFJVRDYFJVLHX-GOSISDBHSA-N 445.568 1.692 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccnc(OCC(F)(F)F)c1)c1cc[nH]n1 1136244737 NUROXEXOYKHONB-UHFFFAOYSA-N 429.355 1.346 30 10 IDEE C[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1138106059 CJOABPMVMSDBGX-OAHLLOKOSA-N 428.489 1.616 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc(Br)cn3ncnc23)C1 1138108092 IJXFETWXWZJVND-MFKMUULPSA-N 435.282 1.981 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1144505705 LXEXJCGMUPLOAA-PKOBYXMFSA-N 434.581 1.885 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2(CC2)C1 1180970636 DEZFZJLEIVXBKV-MRXNPFEDSA-N 448.545 1.631 30 10 IDEE C#CCNC(=O)C1CCN(Cc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1181175091 KRTKVBMLGWOMDA-GOSISDBHSA-N 430.553 1.812 30 10 IDEE C[C@H](CC(=O)N1CC2(C1)CN(C(=O)OC(C)(C)C)C2)/N=C1/NS(=O)(=O)c2ccccc21 1181404548 GNBGHIFYHLSBRF-CQSZACIVSA-N 448.545 1.583 30 10 IDEE N#CCCN(CCC#N)C(=O)CN1CCN(Cc2ccc(Br)cc2)C(=O)C1 1196819718 VMHBFZMSVFLRNO-UHFFFAOYSA-N 432.322 1.749 30 10 IDEE C=CCn1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)nn1 1212241688 LWQGQUCJLUHUGS-UHFFFAOYSA-N 435.325 1.109 30 10 IDEE CN1CCn2nc(C(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cc2S1(=O)=O 1264565977 BPKQHBVGHHQDSU-UHFFFAOYSA-N 427.408 1.594 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1Cc1cn(C2COC2)nn1 1286414987 DDEZBDKEZYWDGX-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(CC(C)C)c2C)CC1 1286471409 MNZQUOFLNURQFT-UHFFFAOYSA-N 438.580 1.479 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OCCN(C)C)CC1 1286485221 GBQPDSWPZYNBII-JOCHJYFZSA-N 438.576 1.874 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)CCOC)CC1 1286485331 ZFCTXDBPLLPCLC-QHCPKHFHSA-N 427.549 1.708 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC(F)(F)C2)CC1 1286493598 HQTHVFOQWMLLQZ-MRXNPFEDSA-N 448.518 1.802 30 10 IDEE C=CCn1c(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)nnc1[C@]1(OCC)CCOC1 1286778060 XBKTVYUPIZWQOK-QRWLVFNGSA-N 435.550 1.961 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286784106 WPAUDSQTZGXHDY-KRWDZBQOSA-N 445.955 1.597 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1288517269 BNOOLROTFDNEJH-ZBFHGGJFSA-N 445.549 1.266 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCOc2ccccc21 1288868661 CLAJLBZJPPVVQO-JYJNAYRXSA-N 446.533 1.183 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1291359985 OIEIXYXTWCFFLI-HTAPYJJXSA-N 443.552 1.756 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1300362924 BFUHRSPOJRHKIS-RBUKOAKNSA-N 449.621 1.972 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1300556195 DXAQRKYXTLXSJN-MOPGFXCFSA-N 434.610 1.616 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1300683938 UJSHDMXDQJSAGP-IHFIDZABSA-N 431.581 1.699 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)NC)CC1 1300719926 VRVNBYOHPBJJHJ-UHFFFAOYSA-N 447.543 1.539 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1300743377 OHFSPACJGCUBSI-MRXNPFEDSA-N 448.570 1.714 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)on1 1300875296 OQFVYCCZBJIQAN-VYDXJSESSA-N 438.554 1.802 30 10 IDEE COCCOCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302205507 BQHNTAULVINABE-UHFFFAOYSA-N 443.508 1.004 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1303333198 HINXLPFGAKSILM-OPAMFIHVSA-N 427.505 1.485 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@H]2C)c1 1303776230 COMWMPZWQDLUJN-CQSZACIVSA-N 430.486 1.016 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1 1306892764 MEMYUNSLDITWPJ-MRXNPFEDSA-N 432.436 1.815 30 10 IDEE Cc1c(C#N)c(NC(=O)CNC(CO)(CO)C(F)(F)F)n(-c2ccc(F)cc2)c1C 1307946069 NDEUBQLPURMFPE-UHFFFAOYSA-N 428.386 1.919 30 10 IDEE Cc1c([C@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1ccc(F)cc1 1311774033 CEFCRNYOFAMQKC-LBPRGKRZSA-N 425.424 1.514 30 10 IDEE CCOCc1nnc(N2CCc3ccc(O)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1314355389 IBNJSAHXELZNRB-MRCUWXFGSA-N 438.488 1.609 30 10 IDEE N#Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cs1 1352214767 FGHMBSSITAAODG-ZDUSSCGKSA-N 425.513 1.337 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1358913661 UUYCWBCAJXNLHF-IRXDYDNUSA-N 441.623 1.746 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1358962554 RWVFWSRKMINLAF-OKZBNKHCSA-N 436.578 1.962 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1358963880 PJYPCAHBJKDNOX-ROUUACIJSA-N 436.578 1.758 30 10 IDEE C#CCN(c1nnc(COCC)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358967665 POZWQKBBQUDRDN-MRXNPFEDSA-N 442.607 1.354 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1358984107 IUGBKUAZCGRSNK-FDDCHVKYSA-N 434.500 1.726 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1358994692 UHBWYARJAXYXMD-QGZVFWFLSA-N 429.571 1.808 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359121129 YDFALGPWMIXDTM-SFHVURJKSA-N 429.569 1.330 30 10 IDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359225293 SVCZEDGMBLMXKU-UHFFFAOYSA-N 425.493 1.453 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1359304097 LEBZDDFZUYCJHQ-QGZVFWFLSA-N 440.548 1.903 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)C1 1359319733 FCSAMJMIBWIJGG-UXHICEINSA-N 432.569 1.118 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359323713 VLXBLDQVIDIJFA-ZREAOVPFSA-N 449.515 1.572 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C#N)cn1CC 1436859691 HCPBKEQYCVDOAY-QHCPKHFHSA-N 449.467 1.888 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1440546858 HWVFKSIMBFZXET-IBGZPJMESA-N 428.338 1.758 30 10 IDEE C#CCN(CC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C(=O)OC(C)(C)C 1446687456 SNRKIOHNGXJUKN-UHFFFAOYSA-N 433.530 1.460 30 10 IDEE Cn1nccc1[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1452803326 WFGHPZUOTJLVJD-KRWDZBQOSA-N 447.517 1.048 30 10 IDEE CONC(=O)C1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1455470543 LBEZGHJUDIVBCI-UHFFFAOYSA-N 436.534 1.202 30 10 IDEE C#C[C@@H]1CCCN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1468549421 RASJLSAMFMCRLR-OAQYLSRUSA-N 426.561 1.827 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)C1=O 1471145849 DIEMZIHKIANSRD-AWEZNQCLSA-N 436.509 1.505 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCNC(C)=O 1503113076 JFSSUBNDDGGNAK-UHFFFAOYSA-N 425.537 1.535 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503365565 QGNMVDYUBRPJSN-UHFFFAOYSA-N 432.488 1.743 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc2n1CCC2 1507617571 WFGUEBIPNYKUMW-HNNXBMFYSA-N 442.524 1.242 30 10 IDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507656370 VNZKYWAIKLQUDZ-SFHVURJKSA-N 436.541 1.940 30 10 IDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC1 1507720726 FMJJGWRCACFLME-RTBURBONSA-N 434.610 1.361 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2ncc(C)s2)CC1 1507731459 JCQHTQFZGIQAPK-WBVHZDCISA-N 448.618 1.504 30 10 IDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1507848204 HTPYOELJIGYAQR-UHFFFAOYSA-N 438.532 1.523 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507921456 VIQDBEPZLQKKGO-LJQANCHMSA-N 446.596 1.713 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507966617 AJFZXCYPLBXXHS-ZWKOTPCHSA-N 439.582 1.379 30 10 IDEE C=CCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508066855 GWDUEQOEYIUGSL-OAQYLSRUSA-N 429.525 1.630 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1508086946 PYQXBJBDONRIRF-ZWKOTPCHSA-N 426.496 1.558 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 1508092219 YFRJMZGLDPLYSF-GOSISDBHSA-N 429.525 1.441 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc2ccccc2[nH]1 1508140916 RDQCSHUIGLZRAD-GOSISDBHSA-N 442.545 1.948 30 10 IDEE CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1508870999 CYNFDQXJIQJAPG-SJORKVTESA-N 444.540 1.957 30 10 IDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1511883836 AEMYGGJMSGSISG-GOSISDBHSA-N 446.506 1.536 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C#N)CC1 1516833713 KUSMAKZDBAAZQK-UHFFFAOYSA-N 427.534 1.886 30 10 IDEE Cn1cc([C@H]2[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC(=O)N2C(C)(C)C)cn1 1532114723 WKSUUNNJLTVWPG-YOEHRIQHSA-N 440.508 1.178 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1F 1538672984 FLHGRKXZSUOHET-HNNXBMFYSA-N 447.488 1.834 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1539014170 LGBPJFVODOXIPQ-SJORKVTESA-N 429.546 1.894 30 10 IDEE O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@]2(F)CCS(=O)(=O)C2)C1)C(F)(F)F 1539144186 SXVJPYAGZLBWPX-LAEOZQHASA-N 428.326 1.114 30 10 IDEE C#CCN(c1nnc(CC)n1CCNC(=O)c1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 1539220885 VYCQLHPHBXDTOJ-KRWDZBQOSA-N 447.536 1.345 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCN(C(=O)OC)CC2)CC1 1539447120 OJCRITGMEFEFOB-IBGZPJMESA-N 430.553 1.753 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1539751465 NVPXNAWLYJFPAR-QGZVFWFLSA-N 439.538 1.433 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1540005150 JSRRBQYHOGJJJQ-QGZVFWFLSA-N 435.554 1.046 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1540523158 WXLJAYMORBBFTD-HTAPYJJXSA-N 427.505 1.628 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOC(F)(F)F 1541935874 UCQVGROWUHDENI-SWLSCSKDSA-N 438.476 1.945 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccc(C)cc3C)o2)CC1 1558073412 RLDLXAUSRJALOE-UHFFFAOYSA-N 431.514 1.701 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1584505189 SDJWXPWXCBGFKN-UHFFFAOYSA-N 433.530 1.989 30 10 IDEE C#CCN1CCC[C@H]1C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1585805293 QTTYWGUNFYBWQA-IBGZPJMESA-N 434.581 1.838 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1587411537 RAMNYCIQYJRGKV-SJORKVTESA-N 430.530 1.616 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CS(C)(=O)=O)c1 1587975157 PWPICCSDLZSPMR-UHFFFAOYSA-N 441.513 1.668 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F 1588574724 QLJRYGNECPQORE-GFCCVEGCSA-N 425.477 1.563 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1CC 1588581098 GGHPSACECVQYFS-UHFFFAOYSA-N 433.314 1.781 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(C)(C)O)CC1 1588733683 YLAQVJIKTHMKBU-UHFFFAOYSA-N 444.967 1.778 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)nc2)CC1 1588749997 BEYHNLKQNNDXBH-QHCPKHFHSA-N 440.548 1.526 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCOCCCO)CC1 1588924049 USEFXFRFCZDVPC-UHFFFAOYSA-N 426.521 1.013 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1589047747 HUYYNHFOLZKMLQ-UHFFFAOYSA-N 426.550 1.439 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(=O)NC)CC1 1589109765 JNQISNKKKRNGNP-UHFFFAOYSA-N 429.594 1.859 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1593769154 LUUGKWQLYUPTJP-AVRDEDQJSA-N 433.553 1.722 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1595115122 DTYLWDGAEHODRO-QZTJIDSGSA-N 429.546 1.651 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595593913 JXBBWOXSOUNQCP-ZJBJCVSYSA-N 433.553 1.625 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)OC(C)(C)C)C1 1595665614 YEQKMKZVJIDJKT-MRXNPFEDSA-N 434.541 1.820 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(C)=O)C[C@H]1C 1595799355 ZAZHQRZATXIFSU-WBVHZDCISA-N 425.555 1.178 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C#CC(C)(C)C)CC1 1596392978 MXSGHZRAKGRPQC-UHFFFAOYSA-N 426.560 1.281 30 10 IDEE N#Cc1cn(CC(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(F)cn23)c(=O)nc1O 1597377196 TYVZIPQLQDRIHF-UHFFFAOYSA-N 436.378 1.730 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1598055345 VBMVUIPCNSGKOR-DNVCBOLYSA-N 439.586 1.181 30 10 IDEE Cn1cnn(CCC(=O)Oc2c(Br)cc(C#N)cc2Br)c1=O 1611103084 WAWABKMWDWXTJC-UHFFFAOYSA-N 430.056 1.974 30 10 IDEE CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613267417 IAVUVHGFNZNQEN-IUTYPILCSA-N 430.509 1.707 30 10 IDEE N#Cc1cccc(NC(=S)N[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2cc(-c3ccccn3)nn2)c1 1616125973 ASXNSOQREQEXNX-ZRNYENFQSA-N 433.497 1.906 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1617388106 ZLWIADGXYNJYJN-KRWDZBQOSA-N 432.550 1.617 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1619928321 FLLLJVFVYMIPEL-IIBYNOLFSA-N 426.525 1.304 30 10 IDEE C=C(CC(C)C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1625990783 HGUDOFJYKYWJFN-UHFFFAOYSA-N 428.576 1.834 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)ccc1F 1626580400 MVVBCBXBURLBCG-KBAYOESNSA-N 442.509 1.325 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1629453241 KOKXMPUTAGIJQP-MRXNPFEDSA-N 439.534 1.517 30 10 IDEE C#CCN1CCC(NC(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 1631275375 SVDKFQLOLKBCOC-UHFFFAOYSA-N 426.608 1.718 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1634255822 ZDFPSKMNPUZOTL-UHFFFAOYSA-N 441.513 1.508 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1637076935 OYERDUSZIBNDPS-AEFFLSMTSA-N 432.326 1.473 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2=C(CCC(=O)N2)C1 1640383620 YMWKYCOBEWAJHF-KRWDZBQOSA-N 430.530 1.680 30 10 IDEE CCNS(=O)(=O)c1ccc(C)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1641854275 CRMMYWRPOKXTGL-UHFFFAOYSA-N 445.497 1.811 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ncc(C)cn3)CC2)s1 1644117706 XRHLURALUQHQOW-UHFFFAOYSA-N 436.559 1.923 30 10 IDEE CCOC(=O)[C@@]1(F)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1CC 1645179229 UUJNAMCAFSFPMA-GIMINZRKSA-N 444.463 1.903 30 10 IDEE Cn1nccc1CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1648087882 XEBVLMUBNKAGTA-FRIYVGAWSA-N 442.564 1.851 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2cncs2)C(=O)OC)s1 1651390985 GXXYYTJDYOXEGJ-CYBMUJFWSA-N 429.545 1.112 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F 1659671950 CARHGLBHFOEWRS-LLVKDONJSA-N 425.887 1.630 30 10 IDEE COC(=O)C1=CC[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1674408887 YMKVUNXYSRXJIQ-HNNXBMFYSA-N 426.452 1.959 30 10 IDEE COCc1csc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1674473890 HLBIRMMMMDQOJV-UHFFFAOYSA-N 434.543 1.982 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1689827381 DIDPLBXJAWDDLT-AUSJPIAWSA-N 436.509 1.565 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@]1(N2CCOCC2)CCSC1 1689860842 ISOBBRNXWCWQQU-DYESRHJHSA-N 432.594 1.066 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1689983773 HCZJXSJXXDIQGQ-XLIONFOSSA-N 432.571 1.440 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1690160063 VXADBGYWDDKWGR-UHFFFAOYSA-N 449.602 1.789 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1690300876 MLQWLXSQJZXBGI-QGZVFWFLSA-N 442.630 1.792 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690319725 WTEXQIYXXQDDQJ-QZTJIDSGSA-N 432.525 1.093 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1690545309 NZTLTXTUCHDNRH-AWEZNQCLSA-N 428.580 1.302 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1690660797 OLNRVVUWHVCRQN-JKSUJKDBSA-N 444.511 1.951 30 10 IDEE CC(C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692400115 KCOSPJIOLKBCSC-ZSVKVYQISA-N 446.552 1.937 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1696441613 XFEJGOJOARFDJV-JPYJTQIMSA-N 440.548 1.515 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1F 1698449744 SJFYIGRWHSFIQS-BEFAXECRSA-N 440.483 1.697 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCOCCS(C)(=O)=O 1705474127 CSSWYXUSYFFFIZ-QGZVFWFLSA-N 447.561 1.666 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1705566002 LFEHWNXVHKPCPO-QGZVFWFLSA-N 448.570 1.234 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705571681 FPDBSPFODSOIBK-NSISKUIASA-N 444.557 1.858 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705769641 YTBHTASSJJNZDK-BZSNNMDCSA-N 439.582 1.440 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1705780570 RQPWVYFSAZQOSA-QUCCMNQESA-N 429.613 1.905 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N2CCOCC2)CCCCC1 1705834186 FZXRJQWAAURACT-KRWDZBQOSA-N 440.614 1.546 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1705862001 WAGVIMCXVPFMTN-UHFFFAOYSA-N 439.545 1.963 30 10 IDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1nn(CC)c(=O)c2ccccc12 1705909295 SOFCZVAGRFCSSM-UHFFFAOYSA-N 433.476 1.454 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1706743856 GEOXOIZSDLCXDF-INIZCTEOSA-N 444.561 1.845 30 10 IDEE CCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710836514 BIXZHGYCYSOWEI-ICSRJNTNSA-N 441.536 1.632 30 10 IDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1712711187 DPGUQSSESOHTEU-ZWKOTPCHSA-N 430.534 1.514 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1712884374 KRBRVCCZSWTWBF-NWDGAFQWSA-N 436.398 1.009 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1nccs1 1722293129 BPVAWCUMNDQVMC-HUUCEWRRSA-N 438.579 1.158 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1722296522 QZBKOQZQBDZXNE-CRAIPNDOSA-N 433.534 1.126 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722323616 GDEFWGDDOYHURQ-QGZVFWFLSA-N 441.923 1.489 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC 1722404849 FUSFYZLCWZAZIT-UHFFFAOYSA-N 429.344 1.055 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NCC=C)CC1 1722432840 GPOGVEQYOOAFGP-UHFFFAOYSA-N 443.349 1.765 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCC2)CC1 1722451054 XBLWSPDBOUAWES-UHFFFAOYSA-N 441.507 1.877 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722458169 DWRNYHDGIMDTMS-GOSISDBHSA-N 444.605 1.825 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)N(C)C 1722468294 ISXYIDSYNZYIQM-WOJBJXKFSA-N 439.582 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCc2ccccc21 1722726634 HKOQZYJNYFIVBB-MSOLQXFVSA-N 429.546 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722727671 PRTWKYQBRQJQOQ-CQSZACIVSA-N 449.499 1.651 30 10 IDEE CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723092882 GABUTLIHJOSSFP-UHFFFAOYSA-N 446.515 1.571 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1729715115 BVDMDQGANLKGRY-UHFFFAOYSA-N 439.520 1.867 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1729778943 POVWCXGQZGDGLI-VGSWGCGISA-N 441.488 1.534 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1730900257 JNIAEZKXNBKIKU-FQEVSTJZSA-N 427.505 1.864 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CC[C@@H](C(F)F)N2CCOCC2)c1 1731180259 GAMUPVQBDFVFIE-KRWDZBQOSA-N 445.474 1.109 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnn(C)n1 1740634977 JOMODNRUQUNUCC-UHFFFAOYSA-N 429.257 1.491 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H]1C(=C)C 1740671228 BJJWOTWQISBTLS-FGTMMUONSA-N 437.566 1.052 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1740965149 LRXREHFNOWBYBK-UHFFFAOYSA-N 431.585 1.012 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCc2cnn(C)n2)CCOC1 1741722261 BXUBLGIHFSZVLB-NRFANRHFSA-N 428.541 1.820 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1741994231 NWFUJWQUUHIJDK-XLMAVXFVSA-N 430.553 1.840 30 10 IDEE Cn1cnnc1Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1 1748043962 GNJVQYSNYKTZAY-JTQLQIEISA-N 435.311 1.675 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1ccn(C)n1 1748772242 RJFBBOYPPQEVAY-UHFFFAOYSA-N 426.550 1.592 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@@](C)=O)CC1 1748831797 YFCXGAFECVMICX-WJOKGBTCSA-N 442.541 1.955 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1748892558 RCTPFKFZNPLMPR-IBGZPJMESA-N 426.542 1.891 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1748902124 AQCFTAOXXRFVQP-UHFFFAOYSA-N 435.528 1.796 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 1748971092 CLRDWOKWQZKMPN-JOCHJYFZSA-N 449.603 1.881 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCc2nnc(C)s2)CC1 1748971195 GVKJLGBHRDSPGT-UHFFFAOYSA-N 444.609 1.744 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCC[C@H]2CO)CC1 1748990277 GNEMOHUSWJWMPO-LEWJYISDSA-N 430.597 1.512 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1749032538 LBGJQPZVZNONAR-UHFFFAOYSA-N 440.577 1.828 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 1749126735 GHCAOBGHAQASLJ-UTKZUKDTSA-N 442.564 1.996 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C 1749681727 HAEXDBKBNQNOTA-UHFFFAOYSA-N 439.564 1.639 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1749729831 TUZGNHYGEWPFTG-OAQYLSRUSA-N 449.577 1.659 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749771870 AIVBGFFQTFNLPE-WZONZLPQSA-N 440.548 1.779 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1749829965 BZFWRCALXNFJDU-GOSISDBHSA-N 447.561 1.912 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1750058979 ACSGCKUHBOWZTJ-HKUYNNGSSA-N 445.545 1.493 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCCN2CCOCC2)c1 1750381409 SOVXSRFAQAFNTL-UHFFFAOYSA-N 437.548 1.631 30 10 IDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1751923820 SQACYGZWRCTQCD-DQRAZIAOSA-N 446.515 1.701 30 10 IDEE C[C@@H]1C[C@@H](C)CN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1751995041 RARRFSMCKLUCDL-YUMLTWSLSA-N 441.536 1.523 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)OC)CC1 1760265596 FMIKBPCUXJSHCW-VGSWGCGISA-N 433.553 1.319 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nnc(CC)s2)CC1 1760269275 CZQYFFZHEAUFOD-OAHLLOKOSA-N 429.550 1.210 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1760335140 LQXQTFOWIAAVNY-QAPCUYQASA-N 434.566 1.673 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1760445566 OBERTSARDDLMDR-UHFFFAOYSA-N 449.519 1.635 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760517497 OAEIEABIHTXFRN-GJZGRUSLSA-N 449.414 1.963 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760523941 LIOVQBRHMJRUCC-QGZVFWFLSA-N 440.552 1.636 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760526815 UMLIZXNCUJVVPI-MSOLQXFVSA-N 437.548 1.950 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCOCC2)C1 1760550482 ZIPRNKOWVOOAGE-MRXNPFEDSA-N 447.561 1.592 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760557076 ZNFDGMUZJLPPTL-QZTJIDSGSA-N 444.561 1.112 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761898607 PGCRFXOYDKKRCW-XOMICKMZSA-N 427.553 1.850 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1766854595 WGCIIKGXVAOCIF-UHFFFAOYSA-N 445.531 1.802 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1767497289 JULIVKFWNYWBRY-AEFFLSMTSA-N 437.479 1.496 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1771347120 AWCRWURQMRSLAP-VQIMIIECSA-N 433.559 1.308 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)C1 1771359568 GCPQPIJBELEEHM-SFHVURJKSA-N 429.550 1.285 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCCC[C@@H]2C)C1 1772566658 QWDLRPYLBFFLQM-OTWHNJEPSA-N 443.596 1.622 30 10 IDEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 1867797415 ZYJOUUSADQOFMP-SJORKVTESA-N 425.445 1.441 30 10 IDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 1869929216 CDWILISVHUXKQT-KRWDZBQOSA-N 430.505 1.992 30 10 IDEE COc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1870155294 FXFOGGCGSPGMCM-UHFFFAOYSA-N 447.367 1.290 30 10 IDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541224 XQKVIQKEBKREKP-UHFFFAOYSA-N 443.508 1.353 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCCN(C)C)ncnc21 1875229105 OXUDSXWFNVFXHZ-UHFFFAOYSA-N 449.563 1.733 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)C1 1891234740 FZZVECOXLPNTLC-NHCUHLMSSA-N 435.509 1.786 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1984997282 YSTLXPZZRKLFPF-LSDHHAIUSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]21 2255632077 ICHXWSJTCIGNHB-KCXAZCMYSA-N 432.330 1.837 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255649271 ILENPIHKEWSTAL-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255696830 ZQZMOVBYSNZLAR-UHFFFAOYSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2256061865 KZDDQTUNEIDVGD-HDJSIYSDSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256670958 LXXBJJVQVNDBAT-LSDHHAIUSA-N 437.346 1.982 30 10 IDEE Cn1ncc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)c1B1OC(C)(C)C(C)(C)O1 2267004975 JOXZNXIMNVHWJQ-RYUDHWBXSA-N 442.247 1.097 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC[C@@H]1NC(=O)C(F)(F)F 2267183181 MCNIECDSQFDRKP-YPMHNXCESA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267270105 JNVVLAJTCWVLBL-KRWDZBQOSA-N 447.341 1.747 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 2267605908 QYEKPXSFQXZOIW-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE C[S@@](=O)CCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267708883 RZHFEPFCRVALBN-XMMPIXPASA-N 427.806 1.748 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N(C)c1ccccc1C#N)NC(=O)OCc1ccccc1 2286021639 PQDZTJCYOKLXHG-KRWDZBQOSA-N 431.470 1.792 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC([C@H](C)C#N)CC1)NC(=O)OCc1ccccc1 2286025462 GPEVAVYFTIGAKU-CRAIPNDOSA-N 437.518 1.656 30 10 IDEE COC(=O)[C@@H](CS(=O)(=O)N(C)c1ccccc1C#N)NC(=O)OCc1ccccc1 2286041678 PQDZTJCYOKLXHG-QGZVFWFLSA-N 431.470 1.792 30 10 IDEE C#Cc1cccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 2286051036 ZAJOXIZZLZTBSC-LJQANCHMSA-N 430.482 1.555 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2COC[C@H]1CC(=NO)C2 2296350779 RTDVQZJABSWPCI-LPMFXHHGSA-N 439.465 1.034 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2315603161 ZHMMQXGVTGMXKN-ZIAGYGMSSA-N 434.346 1.895 30 10 IDEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2315646280 RERTYVPPBUNSQE-KRWDZBQOSA-N 442.394 1.646 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3CC[C@H]2[C@@H]3NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2334270807 SMRDGGRGEBNDPD-JLJPHGGASA-N 446.357 1.847 30 10 IDEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3cnc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc1 102749274 MYYFUHLVUHFLJT-LAFOYAEKSA-N 438.484 1.863 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CCC3)c2=O)c1 430993916 QLZRZRKIVWRGBY-HNNXBMFYSA-N 439.537 1.846 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447779790 VIAGQOZAUSGNRH-UHFFFAOYSA-N 433.537 1.557 30 10 IDEE C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 469996549 OMSPKOQCWLFIEX-ZDUSSCGKSA-N 443.331 1.917 30 10 IDEE N#CC(C(=O)Nc1ccccn1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 480092077 IJUVWSKAYDYWHN-MRXNPFEDSA-N 433.493 1.021 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482562781 USSLIBOEEGUETB-CQSZACIVSA-N 442.566 1.441 30 10 IDEE N#C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 505934250 WFEZKWXFDHZFHW-KRWDZBQOSA-N 438.937 1.371 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@H]1CCCO1 514646164 SHRQTSSOLOMDOV-GOSISDBHSA-N 441.553 1.053 30 10 IDEE CC(C)COC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 520782315 ZHIJEOQZEMZFOP-UHFFFAOYSA-N 448.589 1.528 30 10 IDEE CCOc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)cc1 522109319 HNYRKOBXZHLEGF-UHFFFAOYSA-N 434.521 1.903 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)CC1 522317799 BDUWBGLLETVRQJ-NRFANRHFSA-N 443.592 1.852 30 10 IDEE O=C(NCc1ccco1)[C@@H]1CCCN1CC#CCN1CCC[C@H]1C(=O)NCc1ccco1 530411503 IBRPWTVXORGJRY-VXKWHMMOSA-N 438.528 1.737 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(Cc4cccc(O)c4)CC3)C2=O)cc1 531019369 DVYHTJWXRGPXBB-NRFANRHFSA-N 447.495 1.813 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)o1 531939168 IDNSUQCCUMLAGT-HNNXBMFYSA-N 430.526 1.946 30 10 IDEE COC(=O)[C@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCSC1 536259095 UYACPWPHKGVBOK-IBGZPJMESA-N 437.543 1.124 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 558990084 KERXJOSVYLRSCB-CVEARBPZSA-N 429.612 1.765 30 10 IDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 581457189 KTNVPLVNOCMTHV-GOSISDBHSA-N 428.537 1.164 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ncc(C#N)cc2Cl)CC3)CC1 582194386 GCFNSOAMUPSKNK-CQSZACIVSA-N 441.923 1.183 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3C(F)(F)F)CC2)cc1 610047454 GGTKMCIAILHXGQ-INIZCTEOSA-N 431.436 1.749 30 10 IDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nn(CC)c(=O)cc2C1 669815925 VULBJJUHCODZBD-UHFFFAOYSA-N 425.518 1.595 30 10 IDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1cocn1 730721007 PVUDCBHNMQHZPT-KRWDZBQOSA-N 431.518 1.883 30 10 IDEE CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1C 732706040 CFZGYDNQOHZKSF-SFHVURJKSA-N 447.561 1.163 30 10 IDEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 733200457 FUKPZLDSWIVUKO-SUMWQHHRSA-N 448.570 1.982 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 734292873 YJFYNCKYQFGABN-ZDUSSCGKSA-N 433.511 1.696 30 10 IDEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 752312817 TYDQGZNGTJGALE-GOSISDBHSA-N 438.571 1.478 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCCO3)c2=O)cn1 758097893 IHWYKNCGFSTROY-KRWDZBQOSA-N 443.573 1.113 30 10 IDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2ccc(F)cc2)c1=O 782626980 HDJXMUBNKIUZBO-UHFFFAOYSA-N 430.262 1.561 30 10 IDEE O=C(C[C@H]1SC(=Nc2ccccc2F)N(CCC2CS(=O)(=O)C2)C1=O)NC1CC1 786684048 UXGQTFSJGYXPFM-MRXNPFEDSA-N 439.534 1.861 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1 788815243 WGQUWHWHSZGFOK-UHFFFAOYSA-N 438.937 1.709 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)n1 788863957 KHLZPSPUYCOCDC-QFIPXVFZSA-N 425.533 1.748 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)n1 789087883 WJQBLWHSGWHGRS-SFHVURJKSA-N 425.489 1.488 30 10 IDEE COc1cc(OC)c2c(c1)C(=O)N(CCS(=O)(=O)c1ccc(C#N)cc1)S2(=O)=O 790030387 SVRYMWWUWKCXDB-UHFFFAOYSA-N 436.467 1.194 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccccc3)c2=O)cn1 794595746 ITRTYJZUGRXXBE-LJQANCHMSA-N 446.532 1.754 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H](C(F)F)C3)nnc12 801424099 MQVNEFGYQVNAHG-AWEZNQCLSA-N 435.456 1.815 30 10 IDEE CCCCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1 916777534 JTTMIMNILNJCEE-UHFFFAOYSA-N 427.548 1.346 30 10 IDEE COC(=O)c1ccc(NN=C2C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)cc1 1084655470 XHMMYQAJFLSRMO-UHFFFAOYSA-N 426.414 1.639 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)ccc1F 1131521217 LTGZWHNVIMMPAC-KRWDZBQOSA-N 438.502 1.690 30 10 IDEE C=CCCC[C@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1155474664 ISGFSWPDQJSWTN-SFHVURJKSA-N 438.546 1.898 30 10 IDEE C#CCC[C@@H](O)CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1155520930 KTBBPJJITVRIQM-QVKFZJNVSA-N 426.510 1.225 30 10 IDEE O=C1C=COC2(CCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)CC2)C1 1164255088 NGTGWHITAHTTIN-UHFFFAOYSA-N 437.474 1.458 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(Br)cnc1N 1182090015 AOOGYBRQLVBLGV-SNVBAGLBSA-N 438.307 1.281 30 10 IDEE CCOC(=O)c1cnn(C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1 1183486438 FXJRQZOMBVSZPA-UHFFFAOYSA-N 445.501 1.073 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 1230084812 DXYGCLBVMQHPHM-UHFFFAOYSA-N 441.538 1.889 30 10 IDEE Cn1ccc([C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccc(Cl)cc2)n1 1233739849 KJALYRAEWQCJBY-KRWDZBQOSA-N 439.863 1.563 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286387599 SRBWIIFBKVNZBL-ROUUACIJSA-N 441.557 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2nccs2)CC1 1286492498 HFJQMZXGUJMERN-QGZVFWFLSA-N 428.562 1.837 30 10 IDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1n[nH]c(C)n1 1286717132 RRDSAEQMTUXMTG-UHFFFAOYSA-N 429.554 1.838 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccccc2C)C1 1286788434 WLTBHONRNBDCTB-QZTJIDSGSA-N 443.573 1.785 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 1286792151 NXCJVEMKNACATC-UHFFFAOYSA-N 444.511 1.651 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286819171 CDRFXDSKBJSEKC-GOSISDBHSA-N 446.577 1.602 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cncn2)C1 1286822053 GJTMZYLEPQKTRS-SFHVURJKSA-N 442.549 1.298 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286949722 OQFHXRWHKTYZRL-OAQYLSRUSA-N 437.548 1.644 30 10 IDEE CC(C)N1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1287992743 HQRILRYZRAPPAR-DPPKGPFUSA-N 443.552 1.229 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1291194961 HTISERPWWAPATM-ZMPRRUGASA-N 440.552 1.492 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)cc2)nc1 1296368255 MTBGOHUYPBPJAJ-UHFFFAOYSA-N 438.469 1.615 30 10 IDEE CCN(CC)C(=O)CN1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1297585593 CMYFQWCABZFVTB-UHFFFAOYSA-N 438.525 1.186 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1cccs1 1300455003 DRHIGKQYAWDELD-UHFFFAOYSA-N 447.524 1.753 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300494273 ZRLGXQXJCUCZKU-IAGOWNOFSA-N 433.578 1.826 30 10 IDEE COc1ccccc1OC[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1300619521 ALNIJFZNLZJKKB-IKGGRYGDSA-N 440.504 1.682 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncccc2N(C)C)CC1 1300710937 QMWRBXSSDFNTRS-RXVVDRJESA-N 439.564 1.267 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)F 1300789823 AIEZNKZJMASJPJ-HXUWFJFHSA-N 441.446 1.294 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300960863 PYJASVCCLRPSOC-GOSISDBHSA-N 426.525 1.482 30 10 IDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301048389 ZKFOOLDTDMKRQX-KRWDZBQOSA-N 429.912 1.783 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301112150 LWKSYRRQRZHTOZ-NRFANRHFSA-N 427.530 1.769 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)COC)CC1 1301155709 SDLTZBFYHOOTBZ-UHFFFAOYSA-N 432.569 1.734 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1301196985 CWTDDIOGUIDLMQ-UHFFFAOYSA-N 426.569 1.926 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1301505922 CKRSHZYDWKUPJM-UHFFFAOYSA-N 433.516 1.598 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301511775 FDINAZWYHPRZDG-QQMHEVNUSA-N 439.520 1.673 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1301989239 JQVQIMDILMZTQF-WHSLLNHNSA-N 431.493 1.899 30 10 IDEE CN(C)S(=O)(=O)C1(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1313303139 YXEGQHYPXDWAFK-UHFFFAOYSA-N 442.545 1.362 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C[C@@H](C)O1 1315932138 CAVYKCOTQPSJBB-OPYAIIAOSA-N 440.548 1.778 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(O)c(O)c3)C(=O)OCC)cc2C1=O 1342916625 QNEHNUJFOXFDNW-KRWDZBQOSA-N 438.436 1.784 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 1359023234 DSXOTQCUNJQRBB-RXVVDRJESA-N 436.560 1.762 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359062487 JJKCGJMLTROWPX-GOSISDBHSA-N 426.546 1.853 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnn(C)c1 1359294123 LANBFXHMMKSOLY-UHFFFAOYSA-N 425.493 1.634 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1359305390 BRYMBLNTWIOAAE-QWFCFKBJSA-N 446.596 1.851 30 10 IDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1359480815 CMKIYVXUTUKENF-PZPWOCDFSA-N 444.561 1.553 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1COCCO1 1359848611 CBMXEHDAXRJGTG-IBGZPJMESA-N 425.537 1.875 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1460171197 LIZUPWFGJFTYQW-UHFFFAOYSA-N 428.489 1.638 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)C2CC2)cc1 1464340159 JVJPFYMJHYNVQA-LVZFUZTISA-N 427.548 1.795 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1469612245 SYWNGFCFVROZRL-VABKMULXSA-N 447.539 1.832 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCCc3ccc(C#N)cc3)CC2=O)C1 1470790941 TVRKSTJDJSZKTI-KRWDZBQOSA-N 427.505 1.620 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N=c2nc(C)[nH]n2-c2ccc(F)cc2C)c1 1472136708 MMSGSHVMVCPNOB-UHFFFAOYSA-N 427.461 1.609 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccc(OC)cc43)C2=O)c1 1473007585 PBZVVZRZZPBNTM-QHCPKHFHSA-N 432.436 1.718 30 10 IDEE COc1cnc([C@@H]2CCCN2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)nc1O 1473864040 LGRJVHOAAMZCMY-JKSUJKDBSA-N 442.545 1.798 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1476041617 LZLPTWZWETWJSR-NRFANRHFSA-N 433.530 1.922 30 10 IDEE CC1=CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1492613875 LUIRFKUMUKUHOE-HTXNQAPBSA-N 425.493 1.197 30 10 IDEE COC[C@H](Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C)OC 1504593225 GYALSWGXBKUIFE-INIZCTEOSA-N 430.557 1.477 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1507536556 CRPLZCNWNKQNTL-CVEARBPZSA-N 431.566 1.199 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N(C)C 1507653644 PGHZRRMJYOQBJR-DLBZAZTESA-N 431.587 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)n1 1507672716 DYCWQHWBILEKDD-UHFFFAOYSA-N 447.543 1.143 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC(C)C)N(C)C)CC1 1507715646 FZRGLODJDMENEW-IBGZPJMESA-N 438.580 1.657 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c(C)nn(C)c2C)CC1 1507720575 UVYARRSUIZWQFN-HSZRJFAPSA-N 441.580 1.473 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOCC2CC2)CC1 1507737898 CTOCCDRTUNWTRT-FQEVSTJZSA-N 429.565 1.955 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCOCC1 1507761020 DXOQRCINVUCJFS-WZONZLPQSA-N 437.548 1.886 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1507791226 JJYCHQOAXPXKFH-SQNIBIBYSA-N 428.541 1.831 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507839783 HFQHHGBTGPEOJO-INIZCTEOSA-N 437.508 1.180 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1507863407 FEZXYMGUTZBUQG-DOMZBBRYSA-N 438.941 1.827 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507874385 SEPASLXWACTTRL-YJBOKZPZSA-N 438.960 1.155 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC)C(=O)C1 1507962655 VNZYSQIQLKBHOK-UHFFFAOYSA-N 430.509 1.657 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCOCC1)C1CC1 1507992348 BYPSXRIRFVITNY-QGZVFWFLSA-N 425.555 1.192 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1508144736 TVWHTNMQQFWAKK-UHFFFAOYSA-N 446.577 1.217 30 10 IDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1510339345 FLIFCMGFDVUNIL-UHFFFAOYSA-N 433.534 1.779 30 10 IDEE CC[C@@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513089835 GOVAEMKCZCIUPL-UBENKILGSA-N 443.508 1.253 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC#N)CC1 1517024838 QATNZOWHJSDTKQ-UHFFFAOYSA-N 447.521 1.875 30 10 IDEE COCC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518969278 QLVBIQHVSWSSLR-HSZRJFAPSA-N 449.515 1.586 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1539414260 SVBYHRSRNQUFRT-FQEVSTJZSA-N 433.516 1.608 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)CCC(C)C)CC1 1539476853 GAVGPMHYOUDVJU-QHCPKHFHSA-N 439.564 1.888 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1539489394 MRTHZDIFVCERRR-RBUKOAKNSA-N 446.621 1.428 30 10 IDEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539802996 CUBFUSBLAFDQGA-CRAIPNDOSA-N 433.896 1.884 30 10 IDEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1540029156 XYCBKLBHJJNBPV-UHFFFAOYSA-N 440.548 1.711 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1540186600 FMNVEIVISTYMTH-IERDGZPVSA-N 447.561 1.487 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3([C@H]4CCCCO4)CCCO3)CC2)cc1 1540728310 BXKZBQVSFPKEPQ-TZIWHRDSSA-N 433.530 1.509 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(OC)c1 1540861789 GSCQVDCFSLIIBA-UHFFFAOYSA-N 435.488 1.873 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](OC)C(C)(C)C1 1540866916 FMGBSFJCOKAAJJ-SFHVURJKSA-N 427.505 1.880 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1 1540869274 HTLKFEBTFXTKHX-RTBURBONSA-N 438.532 1.369 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCc2ccccc2)CC1 1540869379 KUOKZVASQSXYOS-LJQANCHMSA-N 438.532 1.717 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCC3(N4CCOCC4)CCOCC3)ccc2c1=O 1556954009 XTQGBDWDSCKSIV-UHFFFAOYSA-N 444.557 1.482 30 10 IDEE CC1(C)OB(c2ccc3cc(NC(=O)C4=C[C@@H](O)[C@@H](O)[C@H](O)C4)ccc3c2)OC1(C)C 1558165489 IRYDWSXXJFLRDL-VAMGGRTRSA-N 425.290 1.490 30 10 IDEE C=CCCC[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1558384498 ZSEJHUBECQHGKH-CVEARBPZSA-N 425.526 1.906 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](C)N(CC(F)(F)F)[C@H](C)C1 1558696494 JSANYKJJKONVMJ-MJBXVCDLSA-N 432.468 1.709 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OCC 1561876294 PWXXTLHPYMNKLZ-QGZVFWFLSA-N 430.548 1.647 30 10 IDEE CN1CCN(c2ccc(CCNC(=O)N3CCN(c4cnccc4C#N)CC3)cc2)CC1 1565488857 AANFVHOUTQHEPR-UHFFFAOYSA-N 433.560 1.779 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1587563176 YOKXJGPJZAPVOZ-SJORKVTESA-N 445.593 1.780 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N2CCCC2=O)c1 1587639792 NEOHOYUHMQBRBD-AEFFLSMTSA-N 441.557 1.813 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588064257 DYRCOZHUZCQFNW-GOSISDBHSA-N 449.602 1.687 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1588083252 CWSBJYKUSUGTMA-IXDOHACOSA-N 441.557 1.894 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1588637202 BBRQHXDOSGHJCU-KRWDZBQOSA-N 426.477 1.542 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)CCC)CC1 1588806192 IZAOGZVCGLCEOL-HSZRJFAPSA-N 435.532 1.900 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1588836647 NFJDFSMWAWWNQC-QFIPXVFZSA-N 426.952 1.756 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1589529590 OEQGNLWSWITJOP-XSYGEPLQSA-N 430.553 1.563 30 10 IDEE C=C(C)CN(CC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1589687960 VJJYUROOGHHJOK-FQEVSTJZSA-N 438.525 1.948 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1594520848 DKRBCIMIGPVQSS-GOSISDBHSA-N 444.580 1.830 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1595219747 XNKYPAWPBMBAQE-DLBZAZTESA-N 441.598 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1595797989 KRYNMBYCMBDBSO-SJORKVTESA-N 433.534 1.436 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595805507 PYHNWSKDQXHESL-PXNSSMCTSA-N 426.583 1.852 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccsc2S(N)(=O)=O)c1 1596359518 VJDKIAFTTZLOHN-XMHGGMMESA-N 442.544 1.461 30 10 IDEE C#CC1(O)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)C1 1603204788 HVYLUAXBQCPAEK-UHFFFAOYSA-N 428.466 1.469 30 10 IDEE CC(C)CSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1607824859 RBMRICRQROPUDN-HOTGVXAUSA-N 444.627 1.596 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@@H](C)O1 1619733612 HSQODXMTTQUBFF-WVBUVRCRSA-N 427.505 1.862 30 10 IDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)C1CCCC1 1626234345 BWJZCVMVYSHEBP-IBGZPJMESA-N 430.534 1.429 30 10 IDEE C=CC[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1626325635 WJNDGQBVDDOSMB-LJQANCHMSA-N 429.542 1.970 30 10 IDEE C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O 1635587604 AIJLITQYRYVLPZ-MWUWBQKZSA-N 448.520 1.457 30 10 IDEE N#Cc1cn(CC(=O)N2CCC[C@H]2COc2ccc(Br)cc2)c(=O)nc1O 1636358261 RJKHYNJKULUVNL-AWEZNQCLSA-N 433.262 1.653 30 10 IDEE C[C@H](CC(=O)NC[C@@H]1CCC2(CCOCC2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1636952520 UFMOHEZJVLRUEW-CVEARBPZSA-N 435.546 1.596 30 10 IDEE CCN(C)C(=O)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1637120289 XIFWCNWSCMDCAL-IBGZPJMESA-N 436.578 1.905 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O 1638878441 HRBWLPGAJYVOJO-ZDUSSCGKSA-N 429.351 1.102 30 10 IDEE Cc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1639957956 JFBIPKIETYJWAJ-HXUWFJFHSA-N 443.525 1.693 30 10 IDEE C#CCN(CC(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1)C(=O)OC(C)(C)C 1642178526 JTDGKJRWDMAVBR-SFHVURJKSA-N 436.530 1.860 30 10 IDEE C#CCN(CC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2)C(=O)OC(C)(C)C 1643531612 MKHKYEMNKITQNY-XMMPIXPASA-N 441.528 1.887 30 10 IDEE N#Cc1cc2c(n(CC(=O)N3CCCC[C@H]3C(N)=O)c1=O)CCN(Cc1ccccc1)C2 1652112073 HKPRNUBUUAQGLN-NRFANRHFSA-N 433.512 1.145 30 10 IDEE COC(=O)[C@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 1654909307 HUELKMHTVHPPLH-DLBZAZTESA-N 437.537 1.400 30 10 IDEE Cn1ncc(I)c1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 1656250280 YCILSSIIQYRGQV-MRXNPFEDSA-N 435.225 1.864 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N1CCc2c(sc(N)c2C#N)C1 1660317250 BUZRBDZUHYAYGY-LBPRGKRZSA-N 434.547 1.965 30 10 IDEE C=CCN(C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1663707719 UPCWAZNKPYSDSB-DEXQXJORSA-N 442.563 1.608 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OCC 1670885761 BIIADNCSTDSALN-GFCCVEGCSA-N 428.891 1.550 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC/C=C/c2ccc(Br)cc2)CC1 1673025357 SYAQLZSJXKOMSQ-ONEGZZNKSA-N 441.351 1.257 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(C)cc(Br)cc2C)CC1 1676343552 YLDYAXOEFXYRTJ-UHFFFAOYSA-N 443.367 1.361 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)C1 1686054951 DZRIJQXWPSAWTN-OTWHNJEPSA-N 444.536 1.341 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1689847498 AUUWIPCGPKOWSQ-HNNXBMFYSA-N 435.532 1.905 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCNC(=O)c2cc[nH]n2)c1 1689868296 BXODURQKNZJRMX-UHFFFAOYSA-N 434.504 1.611 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1689980565 UMSJUTITETXSSD-OAHLLOKOSA-N 435.575 1.520 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689998789 WQLYTOPKCMZMCB-HSALFYBXSA-N 449.621 1.877 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690056616 ZSAZMTNCQQLMIH-QGZVFWFLSA-N 426.496 1.457 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C3CC3)c2)CC1 1690112327 VJRFWXWLFFTRCF-KRWDZBQOSA-N 442.589 1.569 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC)cc2)CC1 1690134871 IYUMNOJHVHNRPC-FPOVZHCZSA-N 425.533 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=C)Br)CC1 1690144308 UARIPXLNIFMVTO-AWEZNQCLSA-N 435.326 1.104 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCn2cc(C)cn2)CC1 1690146132 GSEIHKHXRKGYEG-LJQANCHMSA-N 425.537 1.691 30 10 IDEE CC(=O)N1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1690867816 IBNVENNQMWHGLB-HXUWFJFHSA-N 446.918 1.600 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1Cc1ccc(C#N)o1 1692799189 GFOQVQKHWJOBSB-CABCVRRESA-N 433.538 1.076 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1696454413 GPDNAKSCUIRIDC-SFHVURJKSA-N 445.545 1.636 30 10 IDEE CO[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697118990 GHXYXYRICRGVPG-IAGOWNOFSA-N 433.520 1.676 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1705479928 QGBAFTMXZNSQOR-SPEDKVCISA-N 433.553 1.272 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(S(C)(=O)=O)CC1 1705546996 PJCCNYLONSXGMG-UHFFFAOYSA-N 426.340 1.693 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705568977 BPJAHLMHNNWREZ-SFHVURJKSA-N 448.618 1.356 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705571304 XWHIQTUWTSYARE-QUCCMNQESA-N 429.590 1.754 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705571720 GQLNQLKGXOWISH-RTBURBONSA-N 437.610 1.875 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2nc(C)no2)CC1 1705632026 FZDUIRIOSBOZCN-UHFFFAOYSA-N 435.492 1.005 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)cc2)CC1 1705648159 PEEHMBWHLWOZJP-FQEVSTJZSA-N 437.544 1.999 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705748136 DGHFDRWKAKBRQC-OAHLLOKOSA-N 434.913 1.297 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cc[nH]n1 1705861909 SHNHERHGJOUGMO-QGZVFWFLSA-N 434.504 1.575 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)CC(F)(F)F)C1 1705915798 WQKZEBWJSAJXNI-HNNXBMFYSA-N 430.475 1.790 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)C1 1705924260 BLVAZAWNCZMISB-ZWKOTPCHSA-N 439.582 1.583 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706105201 AWWDUPNZFICISO-IEAPLQLESA-N 428.537 1.965 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS(=O)(=O)C1 1706301778 FXESKVNYXBVFFH-CQSZACIVSA-N 430.534 1.761 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccncc1Cl 1706870341 AHXOCQQNDZGISN-BZNIZROVSA-N 427.893 1.427 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(F)F)c1 1706891487 VPCIJGVPNOMQPO-WFASDCNBSA-N 440.476 1.603 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1708758266 MNUVSMFNNADWCS-INIZCTEOSA-N 449.556 1.840 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CC1 1710297849 RMXXDHSNGRQOTA-HXUWFJFHSA-N 442.612 1.777 30 10 IDEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1712163962 ZZIFCGGUPGAWTP-ZWKOTPCHSA-N 427.509 1.384 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1712615886 NSHFROIOTRNAAZ-NRFANRHFSA-N 426.477 1.511 30 10 IDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1712884642 PQYGIZHBVFWWST-HOTGVXAUSA-N 428.459 1.613 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1722292575 OEEJHKSCMOEPPY-ZDUSSCGKSA-N 431.460 1.205 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1722350566 CDQVAIIHGGGDCD-UHFFFAOYSA-N 443.577 1.346 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722361147 LTXRRFHKWRMWTP-RYQLBKOJSA-N 432.550 1.120 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1722430019 ZCERGEXWFODQIH-RBUKOAKNSA-N 445.589 1.791 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CCN(C)CC2)CC1 1722437823 IRADAAHMIADNJC-UHFFFAOYSA-N 426.594 1.318 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722495785 YZGKXIBQLSIQRO-JLHGSKIFSA-N 430.553 1.458 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@](C)(O)c1ccccc1 1722640074 ITTBFWHREQAJJI-GHTZIAJQSA-N 449.577 1.531 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(-c2ccccc2)n1 1722674122 MUBOJUFWDAUCRN-UHFFFAOYSA-N 436.520 1.782 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(=O)N1CCOCC1 1722696017 YCLWUYPXWBLWHU-UHFFFAOYSA-N 432.912 1.196 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1722697728 NYVQQFZZKCOGAP-OAHLLOKOSA-N 438.467 1.619 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3OCCC[C@@H]3C2)n1Cc1ccc(C#N)o1 1723944558 YFBPQPJNABMJMV-JJRVBVJISA-N 434.522 1.407 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1 1729224175 FBWYRZIZHIGYPB-UHFFFAOYSA-N 426.506 1.182 30 10 IDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1730298794 AMKPPVMTRJWILL-SFHVURJKSA-N 426.521 1.769 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1730900239 JIUNIBYSASPKTP-WOJBJXKFSA-N 427.505 1.864 30 10 IDEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1740576658 CKNMEBUIRMWCDG-OAQYLSRUSA-N 449.603 1.758 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1740622880 KFGNSQZLSARWMK-UWJYYQICSA-N 447.561 1.063 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1cccc(C)c1 1740671843 PYWMLDPTQJGVAJ-IBGZPJMESA-N 447.561 1.458 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC2(F)F)CC1 1740695968 IFNGASIUSNKCBP-SJORKVTESA-N 441.548 1.761 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCn2cccn2)CC1 1740704387 NJNZSEKUAMKNAI-UHFFFAOYSA-N 432.532 1.901 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740715526 BMJTXFAKIJJPIB-GFCCVEGCSA-N 439.467 1.831 30 10 IDEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1741259614 OMXVYMOKNBXOLH-XOBRGWDASA-N 438.504 1.799 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1741798007 CPFFYTNIALQVPQ-UGSOOPFHSA-N 436.358 1.851 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1741886991 XNLMHIWWFQIXJK-YWZLYKJASA-N 433.534 1.492 30 10 IDEE CCc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1744356196 CVVVUKIHAROXPH-OALUTQOASA-N 429.546 1.714 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2N(C)C)CCO1 1748205841 AAHMILZPGRWODM-HXUWFJFHSA-N 446.515 1.277 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(=O)N(C)Cc1ccccc1 1748962422 HNTNPOJDHLMESN-FQEVSTJZSA-N 425.533 1.917 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)CC1 1749342558 IQFMYDQZSHIWAL-GOSISDBHSA-N 435.550 1.963 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749677015 KVWMMZDOZXXUSJ-VQTJNVASSA-N 430.597 1.860 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)C1 1749717556 MFQWMUAJIHDMTN-IAGOWNOFSA-N 437.566 1.149 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749729736 QEMBAIFGXKUBIL-QGZVFWFLSA-N 444.561 1.532 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1749827399 BBQYBJQLVTVJGT-OAHLLOKOSA-N 447.517 1.475 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1750059804 BVQMXHLGLVVYCU-QLFBSQMISA-N 434.522 1.324 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1750096275 HRDXJNLYQAJZCI-VQTJNVASSA-N 438.532 1.927 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1750149968 RGQARIRRXHBSPI-TZWCJPSOSA-N 430.509 1.517 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1750209045 NSBXWCREVURGEN-GOSISDBHSA-N 444.561 1.715 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N1CCOCC1 1750449573 SLSISBJOGCZDGB-UHFFFAOYSA-N 438.536 1.028 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC(F)(F)F)CCOC1 1751005992 BRVKDCMACPAQIP-DYVFJYSZSA-N 432.447 1.736 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1760259982 JWJRBFTURZEUJX-UHFFFAOYSA-N 449.515 1.564 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760333296 CSNOZGPJEFDNIH-CBZIJGRNSA-N 437.566 1.224 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760335441 MVZSAUMBCFVCSE-JZXOWHBKSA-N 447.565 1.186 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCOC1 1760336845 KHKHRFRAABWSKF-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1760347079 AZKJWKAZCLXTNH-UHFFFAOYSA-N 428.459 1.872 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760356250 IZGKFJVSDRLPQI-VGSWGCGISA-N 446.552 1.927 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760358540 VZXOEXAMYNBZIA-NRFANRHFSA-N 431.562 1.872 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1760464276 DMZPCOXFGBWNMP-SJLPKXTDSA-N 433.534 1.237 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1760551804 SETCSRGRBOPMMM-KRWDZBQOSA-N 428.518 1.132 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760557074 ZMUCSXIYKNNUQQ-UHFFFAOYSA-N 438.598 1.462 30 10 IDEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1760813173 HWJOXDAMZAZHQG-ZUOKHONESA-N 435.504 1.974 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@]2(CCCOC2)O1 1763081388 GQKINFXDHBPHSS-IERDGZPVSA-N 445.545 1.636 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCCS(C)(=O)=O 1764909445 LHXIEVKXJYYYPL-UHFFFAOYSA-N 448.597 1.296 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766375597 HBRMAGIIOFZJPG-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)COC)CC2)cn1 1766954276 IEMXJXZCQWBLEY-UHFFFAOYSA-N 434.504 1.376 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1767175042 WSIXHKLJWADONS-ROUUACIJSA-N 435.532 1.694 30 10 IDEE COc1ccccc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1768951035 AVBXOUNGIVGKJO-YJBOKZPZSA-N 448.549 1.406 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Br)cn2)cn1 1769008207 BEWJAFUJWGSUTP-CQSZACIVSA-N 432.286 1.067 30 10 IDEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1769342852 ALANNCYVZGHZSR-HXUWFJFHSA-N 437.548 1.850 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1770309899 VTTIFLSECVFKEB-CQSZACIVSA-N 436.925 1.690 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2F)CCO1 1770746499 AOPWNLQWSHGQAY-HUUCEWRRSA-N 437.472 1.430 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1771298848 RVAZCNBVMVSKDL-MPGHIAIKSA-N 429.477 1.904 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1772566627 NJOVIGXENPXFKT-QGZVFWFLSA-N 445.474 1.136 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1772660129 FTSIYSRGTPGPNW-APWZRJJASA-N 445.545 1.658 30 10 IDEE O=C(NCC#CCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1850335305 XQDIMOGRLZQTNZ-HNNXBMFYSA-N 445.994 1.254 30 10 IDEE CN(C)C(=O)[C@@H]1C[C@H](OC(=O)Cc2cc3c(cc2C#N)OCO3)CN1C(=O)OC(C)(C)C 1851243222 LZKRNUJGUGJPLR-HOTGVXAUSA-N 445.472 1.839 30 10 IDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1ccccc1 1851375601 XCXSBEXXTLQWTK-MRXNPFEDSA-N 426.546 1.905 30 10 IDEE COc1cc(OC)nc(O[C@@H](C(=O)NCCN2CCC(C#N)CC2)c2ccccc2)n1 1851452737 PSGSTEKUVZMNTF-HXUWFJFHSA-N 425.489 1.966 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3C[C@H]3C(=O)NCc3ccccc3)CC2)nc1 1851503438 SDHLVYCROHDHAT-RTWAWAEBSA-N 433.512 1.571 30 10 IDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 1853019796 UDCGIFMYFSWRCY-RTBURBONSA-N 427.505 1.681 30 10 IDEE CC(C)[C@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)N1CCS(=O)(=O)CC1 1853265481 OMJPOGUFRCAHTI-HXUWFJFHSA-N 434.562 1.326 30 10 IDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2cn3ccsc3n2)C1)[C@@H]1CCN(C)C1=O 1857042757 DZTWOTVDWGVZGJ-DOTOQJQBSA-N 429.546 1.422 30 10 IDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2OC)cc1 1858971872 LEMUCUDIJDDAKH-UHFFFAOYSA-N 447.513 1.607 30 10 IDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)CC1 1868146124 SEGQTOCPBGRHBV-KRWDZBQOSA-N 425.514 1.879 30 10 IDEE O=C(NCCCO)[C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932314 ZTDMVUQIDNCWOV-SFHVURJKSA-N 426.498 1.316 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CSc1nnnn1C 1870179187 WKMMEKGSUZUBEE-UHFFFAOYSA-N 442.501 1.876 30 10 IDEE C#CCOc1cn(CCOCCO)c(CN2CCN(c3ccccc3Cl)CC2)cc1=O 1870563444 BKBDTSLTDCVCTP-UHFFFAOYSA-N 445.947 1.845 30 10 IDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 1988055600 QPBNAACDCYGZFU-UONOGXRCSA-N 425.482 1.483 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2010397056 QVOSDPQDIGYWLF-UONOGXRCSA-N 425.335 1.840 30 10 IDEE CC(C)OCCCN=C(NC[C@@H]1COCCO1)N1CCN([C@@H](C)c2ccccn2)CC1 2087917862 HRQZQJQDCFCNFB-LEWJYISDSA-N 433.597 1.936 30 10 IDEE C=C(CS(=O)(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243434953 IDZJVNAKHDHJJB-UHFFFAOYSA-N 432.348 1.075 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2245014752 WZJSLMWHYSLLNU-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(CN1C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255629194 SCYREKTUHDXVGA-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)COCc1ccccc1 2255753317 RAKMFVFMTCPTAZ-MRXNPFEDSA-N 449.382 1.851 30 10 IDEE CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O)C(=O)OC(C)(C)C 2256017949 JEQXQZMOSXSXMK-UHFFFAOYSA-N 436.314 1.994 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]23)n1 2267176577 BTZICXRWRYYQFY-FVQBIDKESA-N 446.357 1.847 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)nc1B1OC(C)(C)C(C)(C)O1 2267188234 JLXQAFDXQBZGIH-LBPRGKRZSA-N 444.263 1.393 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2267490569 QAUZILJHGBRDOA-SFHVURJKSA-N 440.353 1.350 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1nccn1Cc1ccccc1 2267495644 OKPLEOSGSDMENM-UHFFFAOYSA-N 435.337 1.937 30 10 IDEE CCc1nn(C)c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267507690 SJJVEWTUMLNLDI-UHFFFAOYSA-N 448.373 1.878 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267516144 ZJRVYNHSRUBKRI-SQWLQELKSA-N 446.357 1.847 30 10 IDEE C[C@H]1C[C@@H](N(C)C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1Cc1ccccc1 2267553155 XWSKTNNRKQAHLL-FUHWJXTLSA-N 439.369 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2267568283 HTQHQMXKEGZCDL-QFIPXVFZSA-N 449.357 1.806 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@H](COCc3ccccc3)CC(=O)O)nc2)OC1(C)C 2269073130 GPPKANSURYPMGX-KRWDZBQOSA-N 441.293 1.566 30 10 IDEE COc1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c(OC)c1 2329054538 PIHKFBBRLCJKKD-HNNXBMFYSA-N 433.534 1.986 30 10 IDEE COc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1 2330747902 ISYURXYHIUTEAW-UHFFFAOYSA-N 445.530 1.992 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccc(O)c1 2330749902 CIYHJLXBSSPQBV-UHFFFAOYSA-N 428.474 1.504 30 10 IDEE NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(NN=C3CCCCC3)n2)s1 20836522 RXBSUBUUKHRSBA-UHFFFAOYSA-N 441.568 1.696 30 10 IDEE CC(C)Cc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443852 HUWISPBPNKTCEC-ZWKOTPCHSA-N 448.527 1.894 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1Cl 72444286 ZMLLETBVFORUJR-ZFWWWQNUSA-N 441.875 1.990 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 96994723 QZUXQEUVUCVJBI-UHFFFAOYSA-N 432.528 1.953 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 109024092 XPNQCSPMLBMANX-QFIPXVFZSA-N 430.464 1.198 30 10 IDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCCOc2ccc(C#N)cc2OC)CC1 110358969 XLNLIZKLGBLCGD-UHFFFAOYSA-N 445.516 1.986 30 10 IDEE CCC[C@@H]1O[C@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 119084500 JBVVDXJXIDYDMF-MSVDHDAUSA-N 446.540 1.688 30 10 IDEE in-vitro N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 478843226 HGXDCZNZZMJRTK-QGZVFWFLSA-N 442.500 1.664 30 10 IDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)C1 503624237 BDRFJGRCVUUBDN-IAGOWNOFSA-N 432.546 1.551 30 10 IDEE CC1(C#N)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 506056019 JDUHCONXRFXWMN-UHFFFAOYSA-N 440.953 1.925 30 10 IDEE Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508192443 UWPJPOMKVJBFLV-UHFFFAOYSA-N 433.497 1.736 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 508948437 ZXUXGQBUUVIHRW-IAGOWNOFSA-N 425.555 1.383 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C[C@@H]1CCCO1 515165347 KMGFEBCXXRWNHE-AWEZNQCLSA-N 448.342 1.100 30 10 IDEE Cc1ccc(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc1S(=O)(=O)N(C)C 545504527 RVVFBLOGBBTLTB-UHFFFAOYSA-N 442.545 1.273 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 548899537 FUMQWNABXKVSOI-UHFFFAOYSA-N 427.486 1.012 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)n1 548984191 HCOUNIWRVKHWPX-UHFFFAOYSA-N 432.481 1.915 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccc(F)cc2)C1 585824355 PNIJJMZWOJMLCH-FIOCOWKDSA-N 435.455 1.941 30 10 IDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 612196856 LZRXDMIDJOEAGS-UHFFFAOYSA-N 446.532 1.023 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](N2CCCC2)C1 670195531 AAVKFBFKJGTHMC-ROUUACIJSA-N 438.598 1.252 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@@H]2CCCO2)c1=O 679755363 QHWQYAADPOQTAN-KRWDZBQOSA-N 426.542 1.568 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)NC(C)C)c1C 730143192 RUBCPXKZJLVRLF-GOSISDBHSA-N 447.605 1.827 30 10 IDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCCO3)c1=O 748064249 NCUKBPCLZPSIHI-UHFFFAOYSA-N 426.494 1.200 30 10 IDEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749920031 AOAIBRCNDSVICO-UHFFFAOYSA-N 429.424 1.526 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 749933562 LPZZOYLBMQNPRR-NVXWUHKLSA-N 443.510 1.128 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CCCCC1 760405101 KFNPMISTIDWCBV-OFQRWUPVSA-N 428.580 1.632 30 10 IDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 763711921 BYNHWYIIQHWZAK-OAQYLSRUSA-N 433.403 1.684 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 766323437 WFHCNXPUQPUMAZ-MGPUTAFESA-N 441.509 1.962 30 10 IDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 768760114 DXPWKSCUIMBYLO-HXUWFJFHSA-N 432.502 1.395 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(N2C(=O)N[C@H](c3ccn(C)n3)C2=O)c1 771920559 NQIZCLDXSRYZQV-CNGOPUHISA-N 444.517 1.811 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)CC1 772045754 IGLJGBGOJFKRLV-INIZCTEOSA-N 426.583 1.175 30 10 IDEE N#Cc1ccc(C2(C(=O)NS(=O)(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)cc1 781494064 ANOLKGMKEIIRKO-UHFFFAOYSA-N 436.486 1.649 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)C1=O 787746594 ARJFYZCXADHIIH-LHSJRXKWSA-N 442.472 1.265 30 10 IDEE Cc1ccc(N(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)[C@@H]2C=CS(=O)(=O)C2)cc1C 798744850 CPKMGTQYEJGEMX-NVXWUHKLSA-N 443.485 1.215 30 10 IDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 802497813 WWYVCCPGJNTTNL-FXAWDEMLSA-N 426.521 1.532 30 10 IDEE C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 802613072 RAXFKVDTHBXFAK-HNNXBMFYSA-N 427.407 1.681 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H]2CCCO2)CCN1C1CC1 802683534 WMIMYOHGYIUOPD-IRXDYDNUSA-N 446.515 1.949 30 10 IDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1C#N 803135650 SEFWWKDWMHZZQF-FQEVSTJZSA-N 436.468 1.617 30 10 IDEE N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 813746837 UWQYYZZGDYXJFN-UHFFFAOYSA-N 439.419 1.965 30 10 IDEE CCN(CC)c1ccc(C=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)cc1 1084247913 GXZCDQODPGUIAE-UHFFFAOYSA-N 430.582 1.963 30 10 IDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCCc2ccccc2)n[nH]1 1084258146 MTAISGVPLDHITI-UHFFFAOYSA-N 442.549 1.507 30 10 IDEE COc1ccc(C#N)cc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1125530544 LGCNGYKWMGOBRZ-JLTOFOAXSA-N 435.502 1.787 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N3CCO[C@@H](C#N)C3)c2C(F)F)C1 1136626125 MCNKBIGWLNSNTJ-NEPJUHHUSA-N 426.424 1.762 30 10 IDEE C=CC1(CC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1139657639 IQVVYWYHPIGYOT-INIZCTEOSA-N 427.567 1.826 30 10 IDEE N#CC[C@@]1(O)CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C1 1143195294 AMGGATFWAAWXBX-QGZVFWFLSA-N 441.269 1.618 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 1146248293 XLCBJRVBSDRWMO-UHFFFAOYSA-N 428.532 1.186 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1149468692 DULKRUUYPNISHA-UHFFFAOYSA-N 426.498 1.752 30 10 IDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1166768072 RLXNMMNTUMNIKS-YJYMSZOUSA-N 445.497 1.786 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 1175515366 YXXUXCFLFBFCPI-UHFFFAOYSA-N 438.456 1.164 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1251951989 WLBUYFXLIQSJSQ-XLPNERPQSA-N 426.539 1.260 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1286389390 JDLAUGSKYNOSRP-RDJZCZTQSA-N 431.518 1.114 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1286391991 GTLKFESFIGSNTH-OALUTQOASA-N 429.546 1.437 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1286418772 QEQOSZWFVYFVEL-IBGZPJMESA-N 435.528 1.912 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCOC1 1286462193 GHNUUCXIFBEDSO-KRWDZBQOSA-N 446.577 1.751 30 10 IDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1286774866 MRHVHAVIPQWJKD-MRXNPFEDSA-N 429.546 1.390 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C#N)c(F)cc3F)c2)CC1 1288003157 FPNHFVHYQWHITL-UHFFFAOYSA-N 448.451 1.942 30 10 IDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1293869028 JGHLXSFSIQWCBN-YTQUADARSA-N 429.569 1.859 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H](c2ccc(F)cc2)C1 1300464999 IRKHITGVHSPCBF-WDSOQIARSA-N 447.536 1.938 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)nc2)CC1 1300703242 CLOQXEZRVSZHLP-UHFFFAOYSA-N 436.589 1.898 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300710019 PCUHMCAZWGBGCP-IBGZPJMESA-N 440.523 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1300716719 PSWOCTQGPKYBGK-CEXWTWQISA-N 447.580 1.783 30 10 IDEE C#CCSCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1300778399 VILGLLBRSHEGTF-DENIHFKCSA-N 449.621 1.455 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OC)CC1 1300880076 HIFQWKRMCKVVFB-UHFFFAOYSA-N 447.499 1.564 30 10 IDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCS(C)(=O)=O)CC1 1301080939 XKJZCIRYYOOMDB-UHFFFAOYSA-N 438.579 1.439 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCS2(=O)=O)C1 1301566651 PCWHIVUZBCIHBM-GOSISDBHSA-N 432.550 1.081 30 10 IDEE CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1302369343 MXXMEBAVFMJENU-KSZLIROESA-N 429.546 1.695 30 10 IDEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)cc21 1309152296 QPSMBULEMSQPAT-KRWDZBQOSA-N 434.562 1.783 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1313332986 GRVUDBAHHGLLSK-XTDOFWJNSA-N 426.539 1.260 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)c1 1315348002 DRYHIARCILFFLF-PUCZYUMASA-N 431.468 1.944 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1316281950 LVTUNIIZJYITEE-JYJNAYRXSA-N 445.524 1.120 30 10 IDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318287592 SVOUTMLDGOKDDW-MJGOQNOKSA-N 437.544 1.503 30 10 IDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCC3)c1=O 1339625880 XDRIHCLTYYOHCE-UHFFFAOYSA-N 435.549 1.359 30 10 IDEE C=CCn1cc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nn1 1348279812 CSTLOLDZLQUYIR-UHFFFAOYSA-N 425.880 1.626 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358946709 GDYZEOGFJQAYRS-KRWDZBQOSA-N 441.536 1.018 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358960644 IVJICBFEBBYHHQ-DYESRHJHSA-N 429.546 1.436 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1358962469 QIXHJEVPGVVLFP-QZTJIDSGSA-N 429.546 1.551 30 10 IDEE C#CCN(c1nnc(CC)n1CCc1cccc(C(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1358964473 ZNNNKHNPJMYNOY-LJQANCHMSA-N 443.573 1.412 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cc2)CC1 1359038255 PDGFDBAIRKWELR-UHFFFAOYSA-N 442.951 1.888 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC[C@@H](C)C2)CC1 1359046764 FHHOKHTWCKYVJB-MSOLQXFVSA-N 426.565 1.803 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359094159 XPJFGPHMVFYBKP-XLIONFOSSA-N 429.525 1.625 30 10 IDEE C=C(C)COCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359136363 HKBHANBRIPQRHG-FCHUYYIVSA-N 433.553 1.628 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359174670 KTOXBMSHBHJBEN-HTAPYJJXSA-N 446.552 1.709 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1359278709 DHIPFORIBVHVGN-OAQYLSRUSA-N 446.529 1.880 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359335006 XGQSVDDDZPQCCP-MOPGFXCFSA-N 437.610 1.378 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359412617 BZGJBTCQIHLWTI-XUTLUUPISA-N 441.536 1.565 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)CC1 1359455525 TUOIORGGIRLFPU-UHFFFAOYSA-N 437.548 1.644 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)C1 1359578824 UNLWWWGYVFSOJO-LVQVYYBASA-N 445.524 1.056 30 10 IDEE CC1=C(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@@H](C)n2nnnc2N1C 1441632075 RAMAUJZGJOTXDY-GTMGWDBPSA-N 444.521 1.409 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1454679160 MUDWLVFVQXYXOR-OAQYLSRUSA-N 426.498 1.646 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCc2cc(Br)ccc2NC1=O 1455189198 DWZAVTBDMGWCAC-HMWBCQRISA-N 447.289 1.735 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)CCC(=O)NC)nnc12 1458026382 PVAMHMSDESTFSU-UHFFFAOYSA-N 428.518 1.307 30 10 IDEE C=CCC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)OCC 1468128335 WSADEVXMYIYBEZ-AWEZNQCLSA-N 430.548 1.521 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1469366880 GJKUUJOKRWUFLT-HXUWFJFHSA-N 445.585 1.870 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1470298005 PCRXQXVOPCHZRR-ATZDWAIDSA-N 435.521 1.710 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1 1473703749 XXICTYZGJPHNLC-HXUWFJFHSA-N 429.502 1.233 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)C 1492587468 QUKGBIPSNYVDFS-UHFFFAOYSA-N 444.543 1.859 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1499298858 CTTKQNFLRNNTHO-KRWDZBQOSA-N 433.472 1.555 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1snnc1C 1507621605 WMYAZWXXVMGTSI-UHFFFAOYSA-N 436.589 1.920 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507633117 BGOOQQLEAGWUMI-GOSISDBHSA-N 440.529 1.544 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1507633482 FCIPCJMMJLENGU-INIZCTEOSA-N 443.558 1.099 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507752588 CGYBZLIEBFNWNZ-OAQYLSRUSA-N 432.594 1.068 30 10 IDEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836450 LJFKCFYRQSOJRS-WMZHIEFXSA-N 446.596 1.639 30 10 IDEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507933407 MNYJREFQVCPZMY-UHFFFAOYSA-N 437.548 1.547 30 10 IDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1508040828 BUGNFRINCMPIPL-UHFFFAOYSA-N 446.552 1.755 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@H]2C1 1508091034 JQNZVOJQLYSMGX-LJQANCHMSA-N 440.548 1.297 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 1508114885 MWAXOKZKXLEAJX-AUSIDOKSSA-N 443.548 1.767 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCC2)C1 1508140401 NPFXQHVPSCROFC-QGZVFWFLSA-N 431.566 1.401 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1508141480 VSAKBQGLYPBBGS-UHFFFAOYSA-N 441.517 1.071 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C 1512497778 ICJBKMNFSPITSN-MPGHIAIKSA-N 437.504 1.809 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1512574190 FMTVRTZEDOFPOF-RISOHXOYSA-N 435.431 1.815 30 10 IDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1513615244 ACOMDYDWTXIQHV-QGZVFWFLSA-N 436.582 1.931 30 10 IDEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1518974024 GRUWNVUXXRMUEM-DNVCBOLYSA-N 442.561 1.927 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1519150013 CPPCJPJKARILFC-SFHVURJKSA-N 449.519 1.423 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N3CCCc4c(C#N)cccc43)cc2S1(=O)=O 1530979812 USRIVPARQBRPCH-UHFFFAOYSA-N 425.466 1.942 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539089440 MPVGPFQIWJGWJM-KRWDZBQOSA-N 449.964 1.898 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539407522 FYJQBWFDYNLLLR-UHFFFAOYSA-N 442.520 1.720 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539512315 BPALYGZSRXBKRI-MRXNPFEDSA-N 427.596 1.404 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnccn2)CC1 1540865012 RQYJQUNIYQGTBD-UHFFFAOYSA-N 449.475 1.272 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cccs2)CC1 1540873067 LPHDUJVLYMEMLL-UHFFFAOYSA-N 437.573 1.950 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1540902641 NNKABHFEHZLKNE-OLZOCXBDSA-N 435.472 1.609 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCNc1ncccc1C(F)(F)F)c1cc[nH]n1 1544538545 UFDUEEGMKIYNDL-UHFFFAOYSA-N 428.371 1.336 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)ccc1F 1545858212 MGZGEXKBBOIKIV-LBPRGKRZSA-N 431.486 1.865 30 10 IDEE CC[S@@](=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1552416907 OUFUZNRENPQVAX-WHDAMIPWSA-N 441.355 1.543 30 10 IDEE COc1cccc(C(=O)NCCn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c1 1554986392 AHHUQNZZLWEZBG-UHFFFAOYSA-N 446.515 1.618 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)C1=O 1558836664 PVUREEXMSUTGRC-UHFFFAOYSA-N 429.864 1.220 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1S(=O)(=O)NCC#N 1570660505 CGVOQLHFNADQSH-UXHICEINSA-N 426.542 1.872 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 1586913508 JZFGWFJPEBELRM-FQEVSTJZSA-N 440.544 1.783 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)OC)ccc1F 1587213719 WUFGUNOTFWBXOZ-BBRMVZONSA-N 428.482 1.378 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1587755081 SVJCLMBPEMYCPE-MRXNPFEDSA-N 443.577 1.709 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCN1CCCO 1587904438 HQXMQRCFRSXSQM-LJQANCHMSA-N 444.967 1.778 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1588055053 RWRNMSOUSIQFGK-MOPGFXCFSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1588218719 AXQQXGMUPCZEOY-HJPURHCSSA-N 432.484 1.597 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1588238423 VBINYHYMBITEBV-UHFFFAOYSA-N 437.454 1.763 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1588314775 QOGGDNIJSWJDLJ-UHFFFAOYSA-N 445.531 1.896 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1588946279 ANUGJPHBBGGGPE-SFHVURJKSA-N 434.544 1.859 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](OCCOC)C1 1589568281 IRBRGUVWRTYYLJ-LQWHRVPQSA-N 433.553 1.623 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594713578 FZGBTHHYRHZJBI-MRXNPFEDSA-N 447.565 1.156 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCOC1 1595551445 QUMMOEUXQVMPBW-APWZRJJASA-N 427.505 1.956 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595556554 XPKYKRNBKMNTGO-ROUUACIJSA-N 426.496 1.558 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](OCCOC)C2)C1 1616571012 FHTOVBDHXCWUFX-RZFJCUDFSA-N 441.532 1.988 30 10 IDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)COCCO1 1616937409 WISRIHZYYMCGBD-QHCPKHFHSA-N 440.548 1.814 30 10 IDEE CS(=O)(=O)CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1620161308 ISBCTUWJCCMEAA-GOSISDBHSA-N 435.525 1.952 30 10 IDEE C=CC1(CC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1623951478 RCXXLWVBKFRLSE-YWZLYKJASA-N 428.551 1.652 30 10 IDEE C#CCN(C(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1626433992 BMDAEGLEKLHAKW-LSDHHAIUSA-N 436.534 1.505 30 10 IDEE C=CC(C)(C)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1627453001 NBYUMBOZARHXHF-OAHLLOKOSA-N 436.983 1.750 30 10 IDEE CCOC(Cn1ncc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1N)OCC 1627607427 PJTHBIUJJDVORH-UHFFFAOYSA-N 430.484 1.838 30 10 IDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C(F)(F)c1ccccc1C#N 1630905030 NKQJPXRCTWYDOC-UHFFFAOYSA-N 438.412 1.995 30 10 IDEE Cc1[nH]nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1I 1635213748 KWZAYNSOUXSWQH-SNVBAGLBSA-N 445.261 1.908 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c(Br)nc2n1CCCC2 1636270204 AEEMGEKOEHPLPL-GFCCVEGCSA-N 430.310 1.994 30 10 IDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)COc1ccc(C#N)c(Br)c1 1636284791 VCVPNJPFOYNGSG-AWEZNQCLSA-N 427.251 1.510 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1639049947 NZDRIOADYTYKOH-HNNXBMFYSA-N 447.488 1.917 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1639158319 GHKGYAYWSVMZGG-KRWDZBQOSA-N 445.004 1.935 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 1640218811 KJTYUNHMTQXGMD-HXUWFJFHSA-N 440.525 1.604 30 10 IDEE CC1(C)C[S@@](=O)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1642737617 DHKNGJQIELFYPM-PMERELPUSA-N 431.518 1.298 30 10 IDEE N#C[C@@]12CN(C(=O)C3(NC(=O)NCc4ccccc4)CCCC3)C[C@H]1CS(=O)(=O)C2 1646439368 CMQVKOPXDCCHSH-PXNSSMCTSA-N 430.530 1.195 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](N3CCCCC3=O)C2)s1 1648450837 VXFUAFBMHMXFAT-HNNXBMFYSA-N 425.576 1.758 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)c1cccc(O)c1 1649538321 BMISSYWRAVGILA-UZUQRXQVSA-N 441.532 1.914 30 10 IDEE CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1649576942 OSYGNJKDONLSHR-XYJFISCASA-N 426.525 1.931 30 10 IDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C[C@@H]12 1654264791 ZVMAGRRHRPJZAI-PTOXDTDZSA-N 437.587 1.817 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@]2(CO)C[C@H](OCC)C2(C)C)c(C#N)cn1CCOC 1660529873 ALJFWOJTDQPQNN-BTYIYWSLSA-N 436.509 1.870 30 10 IDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2csc3ccc(Cl)cc23)CC1 1665750888 QVDIMJUGCZPYOZ-UHFFFAOYSA-N 433.964 1.329 30 10 IDEE COc1cc(CNC(=O)NCc2nn(C)cc2I)ccc1C#N 1680908245 FXILDPFCXALGIV-UHFFFAOYSA-N 425.230 1.904 30 10 IDEE C=CCCSCCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1683853434 COMITVCDGJCLHW-CABCVRRESA-N 433.596 1.724 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1684150857 NZUHLCPSVSJMNR-PKOBYXMFSA-N 435.532 1.851 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)c(F)c1 1689946922 ZUNINEAIKIRTHW-NSHDSACASA-N 431.440 1.747 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1689988571 RUANKTDPGAMSJJ-MOPGFXCFSA-N 442.589 1.760 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(COC(C)(C)C)on2)CC1 1690120251 NHRPNKZREDRERU-UHFFFAOYSA-N 436.520 1.842 30 10 IDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1)c1ccccc1 1690323987 FORNUYQJTNCWLN-MJGOQNOKSA-N 447.561 1.550 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCCC1)C1CC1 1690545007 HRIHGOYODTUUAR-QGZVFWFLSA-N 439.582 1.461 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1690621931 DBUPRPNDZBTWBQ-LJQANCHMSA-N 449.577 1.607 30 10 IDEE CC(=O)Nc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1690883719 FNJDKDMVPIUACJ-YJYMSZOUSA-N 449.512 1.337 30 10 IDEE CCCNC(=O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1695445804 BRXOJZXDNVJJSQ-OWCLPIDISA-N 447.540 1.304 30 10 IDEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1696609996 HPQMJOOFSLJSOX-HOTGVXAUSA-N 448.524 1.162 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1698133872 GZNLZMPFCFMFLT-RKVPGOIHSA-N 429.518 1.411 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(CCN(C)C)CC1 1705490022 BBPYUWUQMILPLR-KRWDZBQOSA-N 441.580 1.737 30 10 IDEE C#CCCCn1c(COCC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1705537821 SAPOMTZWDNCCKC-IAGOWNOFSA-N 449.552 1.978 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1705565204 TZTJBEYQOQLTNW-IBGZPJMESA-N 431.562 1.150 30 10 IDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N2CCOCC2)CCSC1 1705616924 JOXOOVQJWUTTQA-JOCHJYFZSA-N 443.621 1.807 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1705628297 CHIZUHFILDOLSD-GOSISDBHSA-N 425.489 1.873 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2cc(C)no2)n1 1705631794 QHZCPSOCFAYJIR-LJQANCHMSA-N 425.493 1.957 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1705751913 BRPVLUWAWBPYKT-CYBMUJFWSA-N 437.957 1.658 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CCOC)CC1 1711409850 DCWWLWKBLWGNSS-UHFFFAOYSA-N 440.552 1.246 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1711416671 ABOYGIPNNNGWGF-NSHDSACASA-N 444.359 1.191 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1712453218 GEKKRBBEWPUSCV-KRWDZBQOSA-N 428.518 1.618 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1712695768 FQSHPARLVDZNQB-HNNXBMFYSA-N 438.941 1.937 30 10 IDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722313815 YEIHLJYTWUKSNP-UHFFFAOYSA-N 436.520 1.995 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1722393242 XMDHCZIXVSNDSE-FPOVZHCZSA-N 446.515 1.435 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC(C)C 1722402903 GRJKDYHUHKJNNZ-UHFFFAOYSA-N 446.577 1.935 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCN(C(C)C)CC1 1722403484 SORWDKGNSIWDFS-SFTDATJTSA-N 443.592 1.700 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(C)(C)O 1722417274 BOLZIKHMQNAXCT-OAHLLOKOSA-N 437.541 1.828 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1C[C@H](C)O[C@@H](C)C1 1722421592 MQOKSSUWKSUJHR-JYJNAYRXSA-N 427.571 1.178 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1722473949 JOPFGXWHOCPDAK-MGPUTAFESA-N 447.586 1.664 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC)CC1 1722532534 OSKDZNRWLMNURV-UHFFFAOYSA-N 446.508 1.877 30 10 IDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722664799 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443.621 1.754 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740561120 XBRZWFBYDNUQNG-QZTJIDSGSA-N 431.562 1.782 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740624634 JDNZRZCFPKGJFJ-JUXOCIIHSA-N 445.589 1.688 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)C 1740630598 LASZJICHWZOAKY-HXUWFJFHSA-N 443.573 1.939 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1snnc1C 1740664390 OOTHFPOBIPJAIN-UHFFFAOYSA-N 445.574 1.863 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1740671921 RQQKBJXHDORVKK-MRXNPFEDSA-N 433.534 1.361 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cscc2C)CC1 1740701057 SMBGVLAQGIQGKG-UHFFFAOYSA-N 440.573 1.898 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(OC)c2)CC1 1740957447 OIURFFMVRXYBGK-UHFFFAOYSA-N 436.520 1.316 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCSC2)C1 1740963331 HXNUZTLYPOWMQX-FQEVSTJZSA-N 446.602 1.905 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 1740976822 OOLCCRFMWQQPCE-GOSISDBHSA-N 442.545 1.912 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1741288833 LSOHSDZFSPILQL-QFIPXVFZSA-N 426.521 1.831 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1747595827 PQLOLNKJJWBIDE-KRWDZBQOSA-N 436.463 1.853 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCOC 1748777086 YIOGPTBVGTWVDK-HXUWFJFHSA-N 435.550 1.052 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1748825257 XCJSCMBNOOEORA-DLBZAZTESA-N 449.577 1.063 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCS1(=O)=O 1748931046 JEMFQQXWYSLTTG-UHFFFAOYSA-N 427.534 1.012 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1748961206 XOUGNMBCGIWWRD-SJORKVTESA-N 448.568 1.961 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC[C@@H](F)C2)CC1 1749015173 ACVDBHKYPCHSAK-FUHWJXTLSA-N 430.528 1.505 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCNC(=O)C1CCC1 1749098261 ULYHKDVNISEPLR-AWEZNQCLSA-N 439.358 1.880 30 10 IDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1749579575 TURTVGSWWIKMHN-UHFFFAOYSA-N 446.552 1.873 30 10 IDEE CC1=C(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1751329793 SCJDCMKBYHITDB-GOSISDBHSA-N 446.533 1.670 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1760110482 DXBVNDSLQQCEPM-AWEZNQCLSA-N 428.518 1.085 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)CC(C)C)c1 1760162862 ILNLWCXTHAUZCP-MRXNPFEDSA-N 446.577 1.991 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1760184279 IMCDEPAHFITOSG-AWEZNQCLSA-N 446.533 1.919 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1760186556 DJSYPXYHGNVBCI-OAGGEKHMSA-N 437.591 1.142 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1760187401 JJSKJHDVORKXJJ-MJGOQNOKSA-N 447.561 1.994 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCOC 1760213111 PUOZYGBDKHJXCD-QFIPXVFZSA-N 444.557 1.599 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)c2ccccc2)CC1 1760251836 IZSLGHAKSXVSPL-DEOSSOPVSA-N 438.576 1.859 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760281274 PSZQSFUAXLRAPS-SFHVURJKSA-N 442.593 1.041 30 10 IDEE C=C(C)Cn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760349415 KLVVHNWDODLORZ-JOCHJYFZSA-N 432.569 1.251 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCc2ccccc21 1760506027 YLVJXTKAQHHYMQ-QHCPKHFHSA-N 425.533 1.873 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1760521008 HEXKFOQUPIYDSA-MOPGFXCFSA-N 437.548 1.242 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1csc(CC)n1 1760522827 ZICQWLKGIRBEKO-ZDUSSCGKSA-N 438.579 1.138 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC=CO1 1761235879 OESIMZJUNBRACT-GOSISDBHSA-N 436.520 1.702 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1762409972 PQWDALVANRIMHE-HZPDHXFCSA-N 445.549 1.911 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1766715873 XPUALTZPJJFPKA-QGZVFWFLSA-N 432.550 1.619 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1767497291 JULIVKFWNYWBRY-SJLPKXTDSA-N 437.479 1.496 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1767942822 RQSYKSGNHCBHHA-OALUTQOASA-N 441.536 1.459 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1OC 1768531269 LGXBPKLKMZJAAL-CRAIPNDOSA-N 440.504 1.606 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cccnc3)n1CC(=O)NCC(F)F)C2 1770735579 MUHVQBHZAXVFAL-UHFFFAOYSA-N 440.414 1.256 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1772566385 QXYVDPFLXXBQGR-KRWDZBQOSA-N 439.476 1.609 30 10 IDEE CCOCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1772882731 LZHKDMSWVCAVBI-KNQAVFIVSA-N 432.569 1.922 30 10 IDEE CCc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCO[C@@H](C#N)C4)CC3)CC2=O)cc1 1848477040 IPRPUYNROLRYRW-CTNGQTDRSA-N 438.528 1.591 30 10 IDEE C=CCN(C(=O)Cn1ncn(-c2ccc(Br)cc2)c1=O)[C@@H]1CCN(C)C1=O 1851168880 ICHUCKJOZRIHLW-OAHLLOKOSA-N 434.294 1.042 30 10 IDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](N1CCS(=O)(=O)CC1)C(C)(C)C 1851722925 PIIGRJSEDICCLU-CZUORRHYSA-N 441.985 1.766 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 1852830022 BIZAHUWTTHYCED-KNQAVFIVSA-N 441.528 1.972 30 10 IDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3csc(-n4cccc4)n3)C(=O)C2)C1 1854948066 UXWURLGQJVYAFS-SJORKVTESA-N 426.546 1.985 30 10 IDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN(C[C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)c1 1855070837 SMPWWWKPMQXIKG-PXNSSMCTSA-N 429.542 1.694 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3c(Cl)cccc3Cl)C2)CC1=O 1856786519 CAMLVVSUQKJLSW-VXGBXAGGSA-N 449.312 1.876 30 10 IDEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C(=O)C2)C1 1856829597 DXYMRJDNNKOCQC-ZDUSSCGKSA-N 445.328 1.205 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1=O 1857143906 LLMTWQJDENIOEM-KRWDZBQOSA-N 428.855 1.702 30 10 IDEE C=CCNC(=O)c1nonc1OCC(=O)Nc1ccc(I)cc1 1872715866 YLHRXEJRQJTBOJ-UHFFFAOYSA-N 428.186 1.608 30 10 IDEE O=c1c(Br)c(N/N=C/c2ccc(O)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 1873527262 RPGXXVNFALYVPI-RGOWCBCBSA-N 427.280 1.517 30 10 IDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(O)cc1O 1874295365 XUHSQJOCAYPGFG-AWQFTUOYSA-N 428.430 1.648 30 10 IDEE C=CCNC(=O)[C@H](C)S(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882498209 ULMGOOIXARVOPG-DZGCQCFKSA-N 426.491 1.250 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060624272 WRKBTRNKPSRMGT-KBPBESRZSA-N 436.293 1.919 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060639236 FUICUCSFZHPWPB-LRTDBIEQSA-N 430.314 1.971 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2081007891 CPFRIXZBHXRAFQ-JYJNAYRXSA-N 438.330 1.118 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250001716 ARJRQUVRMNXTPC-CQSZACIVSA-N 426.294 1.447 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1 2255650192 YPISRYJFTYIWRG-UHFFFAOYSA-N 438.309 1.408 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2255653868 OZSSCYBMZYBYQQ-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 2255672460 HVCBCQLBBJWPQC-QWHCGFSZSA-N 435.334 1.290 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2255875946 HGDFDGPXBCBALM-HXUWFJFHSA-N 435.334 1.244 30 10 IDEE CC1(C)OB(c2nscc2C(=O)NCCN(CC(=O)O)Cc2ccccc2)OC1(C)C 2256872689 GUPYUFUYAJLWSG-UHFFFAOYSA-N 445.350 1.759 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2267274725 DPDSMFIGNZGNSA-JKSUJKDBSA-N 449.357 1.736 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267496132 VIXBYDNYZGRCDR-MIFYACCESA-N 446.357 1.657 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1B1OC(C)(C)C(C)(C)O1 2267506620 AURSCRRUXZMEHN-SFHVURJKSA-N 440.353 1.350 30 10 IDEE Cc1ccnc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267512416 NEXFHPGFZACHRF-HNNXBMFYSA-N 449.357 1.647 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2267573495 JUGUIRRCVQLBDH-ROUUACIJSA-N 437.353 1.318 30 10 IDEE Cc1nc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268628774 MMGZDBSLCISTSJ-HIFRSBDPSA-N 448.329 1.393 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[S@](=O)CC3)cc2Cl)OC1(C)C 2282304931 RAULELNVIQEALL-VWLOTQADSA-N 439.817 1.844 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 2296611282 FQDJFNPQSFSDEN-HXUWFJFHSA-N 442.491 1.930 30 10 IDEE CCc1nnc(SCCO)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2321061641 PSMYWKNSCGMONQ-UHFFFAOYSA-N 435.550 1.527 30 10 IDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Br)ccc1F 2330770366 ZVOAQUFMKDKIDP-UHFFFAOYSA-N 444.286 1.963 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3C[C@@H]3CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2334270382 GLKPVLGLVJCRNY-FMKPAKJESA-N 446.357 1.705 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2cccc(C#N)c2)n[nH]1 59888031 SNEOUVVGWBIRDP-UFFVCSGVSA-N 439.505 1.659 30 10 IDEE CN(CCc1ccc(F)cc1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 72020363 KAOKRCMUJMKLKT-UHFFFAOYSA-N 444.532 1.705 30 10 IDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H](C(=O)O)C3)C2=O)cc1 96573410 ICOZQOSDDYIBAW-QRQCRPRQSA-N 429.473 1.732 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CCC1 430977961 MVLZSPXEVSHCQE-UHFFFAOYSA-N 435.347 1.859 30 10 IDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cc1 461392708 YONTZXZATWVGDP-UHFFFAOYSA-N 449.507 1.966 30 10 IDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(Cl)c1 465484537 TZTWPKVDKQGCNA-LBPRGKRZSA-N 435.893 1.688 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc2c(cc1Cl)OCCO2 465507620 DSDISDXOPPDUJW-GFCCVEGCSA-N 435.893 1.672 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(c4c(C#N)nnc5ccccc45)CC3)C2=O)n(C)n1 505828550 ZSXMQGKHEZZTJB-HXUWFJFHSA-N 430.516 1.861 30 10 IDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508719895 ZLUASPOZHBCOMM-HNNXBMFYSA-N 438.492 1.584 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)CC1 521263864 NEZFWIIYLZEDHY-UHFFFAOYSA-N 434.447 1.237 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)c([N+](=O)[O-])c1 531146139 QHMVBYIWKURPSK-UHFFFAOYSA-N 428.470 1.761 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)cc1 533343679 XJZXPDUOQYBKCK-INIZCTEOSA-N 444.479 1.665 30 10 IDEE COCCn1cnc2c1c(=O)n(Cc1ccc(OC)c(C#N)c1)c(=O)n2Cc1ccccc1 535360721 FMHIRYNDMYILJX-UHFFFAOYSA-N 445.479 1.983 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)COc4ccccc4)C3)CC2)n1 544832943 YWQSNZPFPIIOCF-LJQANCHMSA-N 433.512 1.919 30 10 IDEE Cn1ccnc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCOC3)CC2)c1=O 559202371 GUNCKTMBQWQHGS-SFHVURJKSA-N 446.515 1.274 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCCO2)CC1 559202636 BHIQERRUISUEDJ-QZTJIDSGSA-N 439.582 1.583 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CCS(C)(=O)=O 573750450 QYYXOQVOWRHIOY-ZBFHGGJFSA-N 427.548 1.041 30 10 IDEE COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2nccnc2C#N)CC1 585227278 XXSHUBIEIMOYSS-UHFFFAOYSA-N 428.880 1.982 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 603990140 MYLKYGDBUYIFIY-QGZVFWFLSA-N 439.537 1.051 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nnc4n3CCC4)CC2)CC1 611429413 OAXOBYYVHRVSNV-GOSISDBHSA-N 439.589 1.874 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccnc2N2CCC(CO)CC2)cc1 734359083 VUXNTZVTYITLCP-UHFFFAOYSA-N 428.514 1.454 30 10 IDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 741449049 IVBAASNBQQDLAQ-XYPHTWIQSA-N 431.562 1.583 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 746200011 OALDXYSFRKLVES-FBMGVBCBSA-N 445.277 1.767 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1 752207707 VYZGHYPSFWVBMN-YCPHGPKFSA-N 442.559 1.793 30 10 IDEE N#C[C@@H]1CN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CCN1C1CC1 763388276 YDLZBQXSKRBNLT-MRXNPFEDSA-N 428.880 1.635 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cc1 781019604 GLXZYZXFBMBAMQ-PZJWPPBQSA-N 425.510 1.975 30 10 IDEE C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 789456483 PYTXLHYXXFXGAF-UFYCRDLUSA-N 425.529 1.884 30 10 IDEE CCOC(=O)C1(COC)CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 794699509 KOBZMSKZWDCZHV-UHFFFAOYSA-N 428.489 1.572 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(OC)ccc1Br 800013285 XHQWWWVZDFCBPP-ZDUSSCGKSA-N 436.349 1.410 30 10 IDEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 806342554 LDWFDFZYRKEULU-LJQANCHMSA-N 447.495 1.936 30 10 IDEE N#Cc1ccc(F)c(CNC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c1 808798016 HUFICPANSOQWJA-UHFFFAOYSA-N 430.461 1.170 30 10 IDEE C#CCN(c1nnc(COCc2ccccc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812394633 FATIUTDGQGGJCB-VQTJNVASSA-N 444.557 1.658 30 10 IDEE COc1ccc(CC(=O)OCc2cccnc2C#N)cc1S(=O)(=O)N1CCOCC1 813161245 SXPKYCPMXWYFGI-UHFFFAOYSA-N 431.470 1.269 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCc3nnc4n(C)c(=O)c5sccc5n34)cc2C1=O 918812028 ANQXABDTRBQAKP-UHFFFAOYSA-N 449.448 1.782 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)CCS2(=O)=O 1134859602 URRFRGMNKPRVIQ-ZJPRYJDKSA-N 448.541 1.977 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)CC1 1140132692 MQGLZEJRXWNIFM-HXUWFJFHSA-N 447.377 1.480 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccn3nnnc23)c1 1141878328 UDMLKUAPWUAZPO-OQKWZONESA-N 427.490 1.970 30 10 IDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1144922046 FWMVPFOBZRJYEF-ZDUSSCGKSA-N 431.352 1.888 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)C1 1150967836 FPPFNMZDAHXAKU-ZZPBVIFJSA-N 440.566 1.171 30 10 IDEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1 1157544165 DEMMQGRRPYDVME-UHFFFAOYSA-N 448.419 1.728 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc2c1=O 1158523933 QSOMALXXOJSZHK-CQSZACIVSA-N 448.545 1.829 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1160113371 JQZIVFAUEUHUMX-MRXNPFEDSA-N 448.545 1.742 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1c1ccc(F)cc1F 1162488749 YCGUZLRDOFTSQY-BFHZPYKDSA-N 433.411 1.596 30 10 IDEE COC[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCCOC1 1178048447 UKTVLDFRSPAXQT-SZMVWBNQSA-N 437.562 1.698 30 10 IDEE COC(=O)C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(C(F)(F)F)cc1 1180178834 FUPKUIODCQQHMT-CQSZACIVSA-N 438.362 1.650 30 10 IDEE COC(=O)c1ccc2c(c1)OCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1180399734 HRXHSVAWYFVEQO-UHFFFAOYSA-N 432.429 1.944 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1254926194 FICDCNYIOOBRKT-QAQDUYKDSA-N 433.530 1.666 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)cc(OC)c2)CC1 1286478924 DQRKRXNJKDDZDE-LJQANCHMSA-N 443.573 1.301 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCSC2(C)C)CC1 1286490495 MBXQYGRJVXTDBB-IRXDYDNUSA-N 444.605 1.727 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1286522238 IGWFGCPNVUTLQK-DBXWQHBBSA-N 436.578 1.616 30 10 IDEE C=CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1286677655 HAXQCNUMDFJSDE-SJLPKXTDSA-N 446.577 1.527 30 10 IDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 1286732016 ZIMCAZIKPUIFQL-UHFFFAOYSA-N 443.552 1.826 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@H](C)C1 1286786529 GEDDOKZKNHLZHR-HUUCEWRRSA-N 447.565 1.154 30 10 IDEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1287131247 ODEXYUROFPMAPK-UHFFFAOYSA-N 444.561 1.460 30 10 IDEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1287506644 NWGUFMJCQRLLSA-XQBPLPMBSA-N 443.573 1.770 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)C1 1296329535 KGQKXUZHSRBXTC-MRXNPFEDSA-N 430.490 1.878 30 10 IDEE CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)Cc1ccccc1 1298713503 FHRNSGZLAQAKHA-RBUKOAKNSA-N 444.561 1.041 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1300382110 ZJJJSPWQWKMCIA-MRXNPFEDSA-N 428.924 1.977 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300888163 IKWFXRIROUHPSU-SIKLNZKXSA-N 430.597 1.956 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC)c1cc[nH]n1 1300995174 OVCBVISYHQQKLX-DZGCQCFKSA-N 437.497 1.598 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)COC)CC1 1301085831 BKDIVRUFRGAIKC-INIZCTEOSA-N 427.571 1.440 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1301526123 MJMXMSWCBVUNBX-PZJWPPBQSA-N 441.532 1.736 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1301611285 ARQYOFZLBZYONA-XHSDSOJGSA-N 429.612 1.622 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 1301670954 CUOFCLKOOAONNV-XMSQKQJNSA-N 427.553 1.903 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC[C@H]1C 1302293927 UEKZQYHTMTYORJ-MDPIYQRISA-N 432.569 1.853 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)CC1 1302921948 ZRMCRNBRCPFSHC-UHFFFAOYSA-N 449.964 1.875 30 10 IDEE C[C@](O)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl 1303886494 DBCVATGQOVPVNO-PSGMQZRDSA-N 430.896 1.519 30 10 IDEE Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)n(C)n1 1304729725 HELYOUKTNWGWEW-HNNXBMFYSA-N 426.506 1.089 30 10 IDEE COc1ccc([C@@H]2CCCCCN2C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1 1307388760 IWPVYADSBAUCFT-FQEVSTJZSA-N 440.500 1.335 30 10 IDEE CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C[C@H](O)c1cccc(C#N)c1 1307910181 VFFNAMRYWHDSDN-NRFANRHFSA-N 442.541 1.947 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCCNS(C)(=O)=O 1314739612 DMQYRYISCQMOAQ-UHFFFAOYSA-N 427.534 1.731 30 10 IDEE COCCOC1(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1316223846 BGQPTRQNTIXANW-QZTJIDSGSA-N 435.525 1.461 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2COCCO2)cc1 1316533139 FDOBZVAYSZPTPU-PKOBYXMFSA-N 440.504 1.236 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1358885529 LQUXRAXIUMRCDX-PXAQALGRSA-N 436.516 1.673 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2conc2COC)CC1 1359032365 LYJXFDGHFASIQF-UHFFFAOYSA-N 427.896 1.931 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS2)CC1 1359040194 LHETZAYOQUFXAY-KRWDZBQOSA-N 430.578 1.376 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359041409 VWXNLUCRFIEPIO-UHFFFAOYSA-N 435.594 1.725 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1359062364 FNVDFQMHMUGHED-DNVCBOLYSA-N 442.486 1.672 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)C2CCCCC2)C1 1359319548 BBDTXKVEKRVEIV-MSOLQXFVSA-N 430.553 1.802 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)C1 1359322470 WDDJTNCHTTYYLI-DLBZAZTESA-N 425.555 1.192 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1359459829 WNBDBIOIHVMMLA-HXUWFJFHSA-N 437.548 1.897 30 10 IDEE CC(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1359930288 CBBAJNJFDYCHGF-MRXNPFEDSA-N 425.541 1.839 30 10 IDEE CC1(C#N)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1360789187 VQQFXVDUSWWHRZ-UHFFFAOYSA-N 427.534 1.886 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1440613120 QBVWXGXAKHPSOU-YHYXMXQVSA-N 432.473 1.745 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)c1 1441736947 MEGTYVDBSDYHNB-BSYQWNDESA-N 446.533 1.819 30 10 IDEE C=CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 1460427697 IORSAJRYSKEIEJ-UHFFFAOYSA-N 436.534 1.906 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(c3nnc(N)o3)CC2)CC1 1473603243 BXDGMHUCSHRMRC-SFHVURJKSA-N 427.484 1.379 30 10 IDEE C[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493639354 SXISGUIKEYDTQW-JHBCHSCWSA-N 441.536 1.553 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1507517068 FUDMNIPLPUCVRI-LAUBAEHRSA-N 428.558 1.756 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507577509 QNHWGQWMLIGFLG-QGZVFWFLSA-N 427.530 1.573 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1507582488 HKVGDRQLSXDJKR-UHFFFAOYSA-N 444.543 1.587 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507632362 ZPGUOCJFIBWACD-DJPFJPOOSA-N 429.546 1.518 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1507635596 UEBBMSQYPPGPMF-INIZCTEOSA-N 439.488 1.172 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2COCCO2)CC1 1507717429 CKPPXNRYGBZJLK-GOSISDBHSA-N 446.349 1.878 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507799436 KAFANHRGPZHKJD-AQNXPRMDSA-N 426.521 1.663 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccccc1 1507853945 HPOZXCQTZBRGEY-DLBZAZTESA-N 446.577 1.694 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508183008 KPPJCEASEQDVGV-RUNIHZNKSA-N 443.552 1.407 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(=O)NC)C2)no1 1513736331 HOPJRMPQSIYNMP-KRWDZBQOSA-N 434.504 1.967 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCC(=O)NC1CC1 1518517328 BRKGPNURHSHPIX-QGZVFWFLSA-N 440.504 1.653 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539212788 XYALXUXVVKWNMR-UYAOXDASSA-N 443.573 1.293 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1539225893 RZGREBPIBJYOGT-KRWDZBQOSA-N 437.591 1.687 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1539259843 IMNOBQBDODQMBY-UHFFFAOYSA-N 444.495 1.785 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@](C)(O)CCOC)CC1 1539470465 QSMIBLROHSIDCN-JOCHJYFZSA-N 429.521 1.600 30 10 IDEE C=C(C)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1539733932 USXJTXPDWDARBA-SVMVAKDDSA-N 435.569 1.874 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1540072337 KRBAHRLRLQBHAF-MRXNPFEDSA-N 427.571 1.583 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCc1ccc(S(N)(=O)=O)cc1 1540083677 CDZZWZRRWRUUJM-UHFFFAOYSA-N 429.550 1.652 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 1540543738 ZOHJOJHHTWDJRI-HXUWFJFHSA-N 431.489 1.926 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1540868988 YRYPUGWKWPEXCS-UHFFFAOYSA-N 440.596 1.570 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540902942 URTYUPZBXIHTSH-IBGZPJMESA-N 437.610 1.838 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1541678609 FBFKRNCNFRSAKS-GJZGRUSLSA-N 435.529 1.400 30 10 IDEE CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1541761706 CNKLLUPVDJHCOI-QGZVFWFLSA-N 440.570 1.166 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C(C)(C)c2ccc(C#N)cc2)c1 1542973060 AFSMIJJDKSAQFY-AWEZNQCLSA-N 428.514 1.887 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1545122985 FTHZWXIFMJAQGS-APWZRJJASA-N 444.561 1.161 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1 1548328288 HXWRSMDKAVXSLB-IBGZPJMESA-N 435.529 1.377 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCOC1 1548335018 NBZZUAVMKXXDCB-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE COc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1OC 1554916598 YBFPUZQCQUMFKF-FMQUCBEESA-N 426.477 1.767 30 10 IDEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555273475 PZLJMARJGAQUMB-RBUKOAKNSA-N 441.511 1.408 30 10 IDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1555518667 GDLHDSCQNFWGGF-UHFFFAOYSA-N 428.493 1.060 30 10 IDEE O=C(C[C@@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1)NCc1ccc(F)cc1 1557192942 WGCLTXKABZTAQV-ANZZGNCFSA-N 442.491 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1561077632 BFSQVNAHJVSSNR-UHFFFAOYSA-N 434.562 1.873 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1 1564417555 ZDPYMVMMFMTOKV-UHFFFAOYSA-N 433.571 1.550 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(OC)c(OC)cc2Br)CC1 1565590186 QGQFXGIGKWFONV-UHFFFAOYSA-N 438.322 1.364 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1583811540 GSYMXFMETYNLIQ-HAGHYFMRSA-N 447.557 1.160 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1conc1COC 1587579067 CRXKYEPBPJFCLG-AWEZNQCLSA-N 429.502 1.989 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587663563 ZKKYMGZEKCRSKD-SQNIBIBYSA-N 442.543 1.205 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1588029062 DACCBIPZROTBST-IAGOWNOFSA-N 430.578 1.661 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588045941 UHKXSRYITJIHSD-WWMYMODYSA-N 431.562 1.764 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1589178497 YUKMOTUGAWBIPD-VBKZILBWSA-N 427.896 1.974 30 10 IDEE COc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(OC)c1Br 1607488315 GYSKHRWMBPBEHE-UHFFFAOYSA-N 435.234 1.297 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1Cc1ccc(C#N)o1 1608530413 SZRAAQRZELQTGK-UHFFFAOYSA-N 448.487 1.287 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1610057243 NBIMTTYQJCHOSN-UHFFFAOYSA-N 431.504 1.458 30 10 IDEE CC1CCN(S(=O)(=O)Cc2ccccc2CNc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1612144734 BVGQYGBFDJYDID-UHFFFAOYSA-N 431.518 1.119 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C[C@H]1OC 1620147849 BXICVUIINFITFB-KDURUIRLSA-N 442.520 1.493 30 10 IDEE C[S@@](=O)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1620180750 FGSYXTYWMZBZQL-ROTAYESASA-N 444.536 1.883 30 10 IDEE C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627136315 FTRDUQLQEKWXAJ-OHUAYANFSA-N 431.283 1.752 30 10 IDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(NS(C)(=O)=O)nc2)C1=O 1635568140 LAEYLHRKQLKYLZ-SFHVURJKSA-N 425.511 1.769 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCC1(O)CCN(Cc2ccccc2)CC1 1636808364 VQZVXUJHXLBNTI-QURGRASLSA-N 426.517 1.436 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nn2)cc1 1640236195 CJCHKTOFYSEIDZ-UHFFFAOYSA-N 428.392 1.259 30 10 IDEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 1641378646 BXJSFDZSOUQXBR-KGLIPLIRSA-N 426.267 1.656 30 10 IDEE COc1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)c(OC)c1 1641571328 CBFQKSPBUWJGAO-GOSISDBHSA-N 425.485 1.773 30 10 IDEE CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C[C@@H](O)c1cccc(C#N)c1 1643725748 LMZCUIRCGQBPHO-HYBUGGRVSA-N 449.511 1.498 30 10 IDEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1643948059 FFRWYUNXIMZVOI-UHFFFAOYSA-N 445.944 1.284 30 10 IDEE C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@@H]1CCc2ccccc21 1652347583 MAZQGJDOVNAAMG-OAQYLSRUSA-N 442.519 1.983 30 10 IDEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1663868306 NADXWUVUADITST-UHFFFAOYSA-N 429.539 1.948 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 1666153286 GHMWAWZAUOWDDA-UHFFFAOYSA-N 427.498 1.782 30 10 IDEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)nc1 1669222918 FZAIYDPVWWJFCV-UHFFFAOYSA-N 443.533 1.779 30 10 IDEE C#CCN(C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C)[C@@H]1CCS(=O)(=O)C1 1670645086 PFBCWVQODMZKKC-MRXNPFEDSA-N 434.518 1.053 30 10 IDEE C#CCCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1689906582 OOJQKNMFJQBDSI-QFIPXVFZSA-N 427.553 1.794 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689984288 MREYBPXOJQMFRB-LJQANCHMSA-N 436.497 1.788 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1689994418 XWGQADVVQDPHMR-HOTGVXAUSA-N 426.539 1.542 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1690076936 FAWPIBMZFRVSMD-LJQANCHMSA-N 425.489 1.499 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCOCC2(C)C)CC1 1690132649 VITHMZFSFTYFNW-UHFFFAOYSA-N 440.596 1.006 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOCC1 1690254571 CYZBUTCLQKLNEU-ANULTFPQSA-N 449.596 1.752 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCOC(C)(C)C2)CC1 1690397030 SWYDFCDTKWJJAF-MRXNPFEDSA-N 440.614 1.402 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1690642408 NXVLUWFODRSRBG-LJQANCHMSA-N 438.532 1.705 30 10 IDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1692493962 AFNLQSYEQHRDHU-WZONZLPQSA-N 440.548 1.799 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1=CCCOC1 1692542317 XWXNZZSDUUXHOE-UHFFFAOYSA-N 436.520 1.356 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1698109743 NWYAVFFALNGIHN-UHFFFAOYSA-N 449.515 1.756 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1705522982 POLKXZZCLBOECI-ROUUACIJSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705566057 LQQHBMYTFPRIAC-UULLZXFKSA-N 438.619 1.864 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705660098 MQLKTEPSAFMFLR-AEFFLSMTSA-N 432.594 1.285 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705739259 AGCKTNLETVXYLK-OAHLLOKOSA-N 446.533 1.503 30 10 IDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705831862 FTPOQYLSKXLVFM-UHFFFAOYSA-N 425.580 1.605 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1705897314 KCVSJSDFJCTHOS-LHSJRXKWSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1705905685 DBOMSMILQADKGX-UHFFFAOYSA-N 429.594 1.874 30 10 IDEE CC(C)CN(c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1706492612 XPWCTULSBUMYQW-ZJYNUGOYSA-N 429.525 1.626 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCCO2)CCOC1 1706678347 DRPIYUMYOHOKJV-XQBPLPMBSA-N 449.552 1.633 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(N(C)C)cc1 1706871726 RJSFNVXKBOHPOH-FOIQADDNSA-N 449.556 1.639 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1706933290 BERYWVQBIJFEOC-HXUWFJFHSA-N 444.561 1.334 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1709413631 BBQOLLZISTVLOA-KRWDZBQOSA-N 434.508 1.274 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCC[C@@H]1C 1712561217 HVNYDLXUULYLTD-TYYYZTEESA-N 432.569 1.730 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1722413963 UEHQYGQOHNRUSN-HKUYNNGSSA-N 447.561 1.538 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722501376 XVSVWYXRHBNJEG-WNRNVDISSA-N 439.582 1.581 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCNS(C)(=O)=O 1722510250 SHMGFPQWKROFHX-BBWFWOEESA-N 427.571 1.139 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722706976 CJYOBVMSVDBLTI-HXOBKFHXSA-N 438.532 1.805 30 10 IDEE CC(C)(O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723039300 JFJNVBAJGOQQDG-GOSISDBHSA-N 425.537 1.926 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1723055183 NYJOOXFQDMWERT-UHFFFAOYSA-N 440.548 1.910 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nnc(C)s1 1740610510 DGQYEBYXXMIHAM-AWEZNQCLSA-N 433.538 1.864 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1740611621 MEBFTDJRUNPSAG-UHFFFAOYSA-N 428.518 1.354 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1740620281 DGNHCIIZUWFSKY-DLBZAZTESA-N 446.577 1.452 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCOCC2)C1 1740810475 CPAFWTIUSHCPDW-OAHLLOKOSA-N 445.973 1.370 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1740939449 XCIMZIVLSOEXGS-UHFFFAOYSA-N 435.330 1.862 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CC)C(=O)C1 1740959581 AFNAEUMKDGBOLA-GOSISDBHSA-N 440.504 1.151 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740963600 PWYKUOCANQALBO-MSOLQXFVSA-N 438.532 1.491 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1 1740968502 JKCCDIWTNQEOAH-NVXWUHKLSA-N 435.550 1.727 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)COCC2 1741124059 CSMVIRNJTQBKJJ-GJZGRUSLSA-N 432.550 1.605 30 10 IDEE C[C@@H]1SCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H]1C 1743399414 XVOHVMFTYMVRNX-SGKVTVFCSA-N 445.549 1.086 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748714396 IBQQNEWGKMNGEY-NRSPTQNISA-N 428.581 1.574 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1748751758 LLXCMVVBLWINPF-DLBZAZTESA-N 448.568 1.818 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1748863843 IXKHJPBLCKGVDS-ROUUACIJSA-N 443.577 1.434 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748892053 IFJCKLYQJVDTLK-HSALFYBXSA-N 447.605 1.142 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2nc(C)no2)CC1 1748979145 VPMMNCQYVCZLEJ-QFIPXVFZSA-N 443.552 1.398 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1749064240 QLOFANRCWUSYAS-LJQANCHMSA-N 434.591 1.644 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749127484 MMKZHNYAQLSFQB-RTBURBONSA-N 444.580 1.700 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C)CC1 1749402001 HJYMYCSXOIZQNK-SFHVURJKSA-N 445.593 1.962 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1749652082 HMWMQVAHOKBFDK-HOTGVXAUSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2C#N)CC1 1749663678 MQSSPBLFAJDUFF-UHFFFAOYSA-N 445.531 1.569 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749729783 SASSEZKZDUDFNX-GOSISDBHSA-N 444.561 1.532 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCC(O)CC2)CCOC1 1751006213 FFMZBNJOBKCPLN-AVRDEDQJSA-N 434.585 1.904 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)C(C)C)c1 1760128785 SHQHLEXFNMLVFN-RTBURBONSA-N 438.532 1.956 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1760179707 XMVPLWNMZQVYLN-MRXNPFEDSA-N 437.541 1.423 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760187313 COTDZWFYDAVPSQ-SFHVURJKSA-N 439.545 1.365 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1760206412 YSGTUBCYUWFLSN-QGZVFWFLSA-N 428.514 1.319 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSC(F)(F)F)CC1 1760268067 BLPOAFLHVTYYJH-CYBMUJFWSA-N 444.483 1.448 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)NC(C)C)CC1 1760268627 NDPVKSSUMKMXHG-UHFFFAOYSA-N 437.548 1.529 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1760322817 XXLSESJMQNNTNN-RDGPPVDQSA-N 437.610 1.692 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760373900 DUAZLTOWTJICDK-OAHLLOKOSA-N 442.973 1.271 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760449593 OJMQYJKRYYMONR-WOJBJXKFSA-N 445.612 1.427 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cn(C2COC2)nn1 1760457334 OECYMSYCBHOMFJ-UHFFFAOYSA-N 429.506 1.182 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CCOC 1760464289 DNQOXNZTRMKGNR-KKSFZXQISA-N 439.557 1.996 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCN(C)C(C)(C)C1 1760494971 BIVDALSETVWEEI-GOSISDBHSA-N 436.626 1.385 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCSC1 1761221113 BWDQIDQGEPYPJD-CYBMUJFWSA-N 427.534 1.704 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1763950699 CRCJXZHGOKZXSU-GHTZIAJQSA-N 445.545 1.372 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1768293037 RGSOBWQMAUZBDQ-QGZVFWFLSA-N 432.550 1.617 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2C)C[C@H]1O 1769451561 DYZPNPIYYGIHED-YGWPLHOASA-N 439.516 1.850 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1769994273 IKJSZSODCYPIII-CBGDNZLLSA-N 446.531 1.847 30 10 IDEE COCCOC1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1770071933 DOJZPRSVNGAATM-XLIONFOSSA-N 437.516 1.826 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCC[C@@H]2C)CC1=O 1771135453 BNKHNYZKSIPKOO-SFHVURJKSA-N 437.548 1.596 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C3CCC3)n1CC(=O)NCC(F)(F)F)C2 1771532189 RHVCIKWDCXVPLM-UHFFFAOYSA-N 435.410 1.759 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2COCCO2)CCO1 1771535959 DRONDLHNCWYROU-ZIAGYGMSSA-N 437.298 1.570 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1772660278 RGHFEEHFARLAEU-OAQYLSRUSA-N 440.529 1.134 30 10 IDEE CC(C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCC#CCN1CCOCC1 1850241932 JWVZLXQASZRIIG-LJQANCHMSA-N 441.981 1.485 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2ccccc2)c(C)c1 1853406680 BJSDQAHXRZWHRU-UHFFFAOYSA-N 431.514 1.819 30 10 IDEE CN1CCC[C@@H](CN(Cc2cn(Cc3ccccc3)nn2)C(=O)c2cnc(C#N)nc2)C1 1853421714 SWUARQNRXXEDCW-LJQANCHMSA-N 430.516 1.972 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C(=O)C2)c(F)c1 1854299930 KRNUDZMAPVOJHG-UHFFFAOYSA-N 433.436 1.481 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(C)c(Cl)cc3C)C2)CC1=O 1856774718 WCGUDUPUYGAYIG-CABCVRRESA-N 442.921 1.839 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(OC)cc(OC)c2)cc1 1859009327 JPEZSYXKZBYADK-UHFFFAOYSA-N 446.481 1.724 30 10 IDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cccnc2)cc1 1870137082 ZJWARJDBQWZSHM-UHFFFAOYSA-N 432.488 1.858 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCN(CCO)CC1 1870755065 HCQKIXQBKQZOAM-UHFFFAOYSA-N 444.507 1.301 30 10 IDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873593775 HJKKJJMQCMNLIM-IRXDYDNUSA-N 428.537 1.293 30 10 IDEE COc1ccc(-c2cc(=O)n(CC(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)cn2)cc1 1889997228 VBQGRKMWEDKOQY-IBGZPJMESA-N 431.452 1.865 30 10 IDEE C=C[C@@H](O)CS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1892237114 ICPWOHVQYTUXNC-JLTOFOAXSA-N 445.493 1.940 30 10 IDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)nn1 2124521950 NFJBGOHSYAVDGN-XNISGKROSA-N 447.345 1.932 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248397985 PTCRHKRIZPVQCT-GFCCVEGCSA-N 436.343 1.621 30 10 IDEE CC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248478967 AJLVCJWGPZSXGL-WYRIXSBYSA-N 438.359 1.891 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255626971 MIGSGSFZKNXMPB-NJDVURJYSA-N 438.309 1.834 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255812003 LNHCKLNFSDKWAS-JKSUJKDBSA-N 433.314 1.403 30 10 IDEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CC3)c1B1OC(C)(C)C(C)(C)O1 2267003670 RZTFRGWSKLMWNG-OAHLLOKOSA-N 446.357 1.991 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267195606 LPMIRHKGPATKEG-KBPBESRZSA-N 446.357 1.797 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 2267263593 ICYLPJDSIPMTMG-OAQYLSRUSA-N 449.361 1.634 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C2OCCO2)C1 2267362023 LNDCSYDETKGYEF-CYBMUJFWSA-N 429.369 1.739 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]2C1 2267513769 QQZGIRHYODEKQP-RBSFLKMASA-N 446.357 1.942 30 10 IDEE Cc1c(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267524626 SPGOFMNTYKSJGI-UHFFFAOYSA-N 436.365 1.986 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269030858 KLEILCPDDKQXTM-KRWDZBQOSA-N 440.309 1.091 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCCC4(C3)OCCO4)ccc2F)OC1(C)C 2282503255 XFFBWQCXGSYHPE-UHFFFAOYSA-N 427.303 1.653 30 10 IDEE COC(CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)OC 2282836390 JBBMZSPFFLNIEQ-UHFFFAOYSA-N 425.765 1.940 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2303112999 XKNJJGSDRIKJSM-XCLFUZPHSA-N 425.335 1.840 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535007 WGWWUNJMCWNGOK-AWEZNQCLSA-N 436.362 1.998 30 10 IDEE Cn1ncc(C(=O)N[C@H](CCO)COCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2320420030 MQIFZHZNKXFPCG-QGZVFWFLSA-N 429.326 1.417 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)C(CO)(CO)NC(=O)OC(C)(C)C)C1 2320987581 SRQYQXBAOPFVNH-UHFFFAOYSA-N 440.346 1.415 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)n1C 2337322888 BJDORFWOENEIFO-RCDICMHDSA-N 446.357 1.767 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](CCO)COCc2ccccc2)n1C 2343513177 YZRABJKUFXBNIC-GOSISDBHSA-N 443.353 1.725 30 10 IDEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 11559480 PDRQBRONPQLEFB-UHFFFAOYSA-N 438.444 1.019 30 10 IDEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 20292380 AOPDKHMXKJOEBJ-UFWORHAWSA-N 444.433 1.488 30 10 IDEE CC(C)C(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 23132167 KKEBCRRBJKDYEW-UHFFFAOYSA-N 446.573 1.722 30 10 IDEE COCCNC(=O)/C(C#N)=c1\s/c(=C/c2sccc2C)c(=O)n1-c1ccccc1F 33757212 BCTRYRJKFOVPSY-OZAAWOPNSA-N 443.525 1.674 30 10 IDEE COc1cc(C)cc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 434738985 QGJVXUFDECGGKJ-UHFFFAOYSA-N 449.554 1.879 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440379266 HMVUASDQAVSILW-KRWDZBQOSA-N 438.509 1.115 30 10 IDEE N#Cc1cc(S(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1Cl 443183667 SHYBMDSRGUFTRR-CQSZACIVSA-N 435.889 1.815 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)c1C#N 460838678 SBEPQBPEFHZKCB-UHFFFAOYSA-N 427.534 1.587 30 10 IDEE COc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1S(=O)(=O)N(C)C 461314622 XTNHXZSNTSSFNL-UHFFFAOYSA-N 426.458 1.650 30 10 IDEE CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 466543707 GUZFUJXDDHSYKE-UHFFFAOYSA-N 426.498 1.972 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c(F)c1 478146591 WTISZAUEVJCCLR-UHFFFAOYSA-N 430.505 1.461 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1C[C@H]1CCCO1 478744989 KEHJPPOLISCZMA-MRXNPFEDSA-N 441.528 1.596 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(F)cccc2CC)c1=O 478762269 OEYJYHZTRRYTNW-UHFFFAOYSA-N 443.569 1.876 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 497576637 NVDVGOJUBPSYMH-UHFFFAOYSA-N 440.569 1.145 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc1 511084201 AAWCDJYFSHUUJS-UHFFFAOYSA-N 439.581 1.533 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 515251413 AMCPDGNCNLBPRC-UHFFFAOYSA-N 443.525 1.868 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 524359892 STBVBHJKCYBRGY-UHFFFAOYSA-N 444.513 1.203 30 10 IDEE C=CCN(CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)[C@@H]1CCS(=O)(=O)C1 533388078 XHJQTFYYWYEVJH-GOSISDBHSA-N 435.594 1.232 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 553979173 UMUWDESZJSFYAM-ROUUACIJSA-N 425.510 1.841 30 10 IDEE CCOCCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 582738908 KFBHPVQVLMGOSE-SFHVURJKSA-N 427.509 1.386 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@H]1CCCO1 610574340 ITFHWSXCBAEUJQ-GOSISDBHSA-N 437.565 1.994 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(Br)c(Cl)cc32)C1=O 682569294 ZRZKVJQIMHNARP-UHFFFAOYSA-N 426.654 1.968 30 10 IDEE N#C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CCN1C1CC1 732647850 LEEARIQOUUQAAD-SZPZYZBQSA-N 432.528 1.311 30 10 IDEE COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732706366 NMSRAVPJWHUCQD-KRWDZBQOSA-N 425.489 1.211 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CCN1C1CC1 732707361 YWDMGZKAQOQJFR-JOCHJYFZSA-N 445.523 1.796 30 10 IDEE CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 738377537 WSTMEGCBRPBQOL-KRWDZBQOSA-N 426.564 1.589 30 10 IDEE N#Cc1ccc(-c2cccc(CNC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)s1 740058778 BQEJZYVYSPLPAC-MRXNPFEDSA-N 446.554 1.779 30 10 IDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 742291317 PUWGPCTZICTJMB-UHFFFAOYSA-N 447.311 1.594 30 10 IDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 742402331 MALJEMCCFLAHHD-OAHLLOKOSA-N 438.506 1.292 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1 749374413 DKQMIPHDSDUTTM-CABCVRRESA-N 425.557 1.319 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 751922299 NAEMBAUILINOCE-IUODEOHRSA-N 439.969 1.474 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC2)CCN1C1CC1 752847458 WKPHPAQFVWQCDF-NVXWUHKLSA-N 441.561 1.483 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 760921729 RHRFKFQPOWZXMH-HOCLYGCPSA-N 435.550 1.060 30 10 IDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1 768421726 NRWNMTOTXVQBTH-MRXNPFEDSA-N 429.550 1.323 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(OC)CCC2)cn1 779756198 QGFNLJATHTVBNW-INIZCTEOSA-N 449.577 1.659 30 10 IDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc21 787884273 SWKNVRRKIYVEGP-IBGZPJMESA-N 434.500 1.407 30 10 IDEE CSCC[C@H](C(=O)OCCOC1(C#N)CCOCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 809085443 ZXURAEQQANQERG-BRWVUGGUSA-N 438.546 1.916 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCC2)C1 809812984 NMCAGICMCRXQAG-OAHLLOKOSA-N 428.555 1.363 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N3CCO[C@H](C#N)C3)c2C(F)F)C1 1136626126 MCNKBIGWLNSNTJ-NWDGAFQWSA-N 426.424 1.762 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 1159861181 NRIKDXHSINFTMB-UHFFFAOYSA-N 448.541 1.946 30 10 IDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 1178208354 QPOYAPNWRVJDFE-UHFFFAOYSA-N 440.363 1.717 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)[C@H](C)O)cc1 1179404510 FYBJZZWNNCJOTC-NDXORKPFSA-N 443.525 1.495 30 10 IDEE C#C[C@H](CC)NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1229531094 HPXNYUGIHIBASK-NXHRZFHOSA-N 433.553 1.975 30 10 IDEE C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 1235234678 HCMOVSYVXWFGJH-INIZCTEOSA-N 427.530 1.992 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1286301568 FVEYPQGIISILBM-AWEZNQCLSA-N 426.502 1.637 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286386861 IRFNBGSRVMAREM-UXHICEINSA-N 444.557 1.767 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1286390523 AMJIVTNZSHNHAI-QRVBRYPASA-N 435.594 1.488 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286397276 YSAMCTWCYZRZRY-LJQANCHMSA-N 449.621 1.894 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCCC1 1286414767 AZKPTBOVVICAGQ-ROUUACIJSA-N 434.562 1.432 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1286419923 IAJCBZYMUZLDMJ-OAHLLOKOSA-N 429.502 1.128 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cc(C)cc(C)c1 1286466706 IVGITTBBGSPTDB-LJQANCHMSA-N 446.573 1.962 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC)cc2)CC1 1286471721 NKJBLBLZZGHLKI-KRWDZBQOSA-N 446.577 1.091 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286776371 WFFCFRHRPOQZGN-FUHWJXTLSA-N 438.598 1.108 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286782464 VXPJVTMPTRCQDK-QAPCUYQASA-N 425.493 1.828 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](COC)C1 1286783085 GKXJTQBDQRNLFZ-INIZCTEOSA-N 431.493 1.116 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1286786458 SKRLARYTKABATG-SJORKVTESA-N 428.468 1.248 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCO[C@@H](C)C2)C1 1286799762 AANLUTYXGPUIMX-WNRNVDISSA-N 441.598 1.875 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286825107 LWLBYOGZZNWBTE-IAGOWNOFSA-N 436.538 1.042 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)NC1CC1 1286962766 GMXVVCZXHQECRJ-HNNXBMFYSA-N 434.508 1.575 30 10 IDEE COc1ccc(C(=O)NCCN2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cc1 1293115327 BSLUYUYKNHRPCJ-WCIBSUBMSA-N 439.487 1.991 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1300478876 DZWAKMFQNZVEDY-QGZVFWFLSA-N 431.562 1.258 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1300549108 XTKVPUKWUACBLS-UHFFFAOYSA-N 431.500 1.700 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cnn(-c2ccccc2)c1 1300675459 RJBRTOLOLFMKAI-UHFFFAOYSA-N 433.516 1.721 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc(C)c2)CC1 1300722994 OOGNPWQCIKSDEM-KRWDZBQOSA-N 426.546 1.613 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301001159 DCXFDFKYYPRIAS-NRFANRHFSA-N 436.557 1.373 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1301490933 ITLQUGPPNVHYHA-INIZCTEOSA-N 442.568 1.358 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301491837 OCGIVPMRYZXSSE-UHFFFAOYSA-N 428.500 1.841 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)C1 1301558529 WTDFHPDYVILPEY-CVEARBPZSA-N 439.582 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301577455 JRBLZSBKRCWIKR-HZPDHXFCSA-N 436.465 1.799 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301959018 JWJICPAETXYHKI-SOLBZPMBSA-N 446.581 1.479 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)s1 1302751762 XCNGEXHXNKUMGX-OAHLLOKOSA-N 439.481 1.424 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303426838 CBICUTSCGMUEMF-UHFFFAOYSA-N 432.488 1.790 30 10 IDEE Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1304359271 WNYAFMFSLWJYSQ-MRXNPFEDSA-N 440.454 1.931 30 10 IDEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1305085067 MUEDUOLHYAAYEO-XAEZUAJDSA-N 427.509 1.238 30 10 IDEE CCOc1ccccc1N1C(=O)C(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1307284686 JRHGMYGOFCAAOG-UHFFFAOYSA-N 431.404 1.680 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)C[C@H]1C 1313941379 CBFQEMYKNPPSKF-QGZVFWFLSA-N 435.536 1.919 30 10 IDEE CN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1314688442 UDWGFEPWNJXBMQ-MCYOWCNASA-N 432.550 1.640 30 10 IDEE COC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1315794573 XWCZERZSEJTUJL-AQNXPRMDSA-N 438.532 1.919 30 10 IDEE COCCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1356310536 BEJDORKNUISGMY-CQSZACIVSA-N 445.335 1.752 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1358873783 OBWNZDPVURNAII-LGRDWIEOSA-N 442.520 1.303 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358959055 AUBVEGSMEDJFEC-JTSKRJEESA-N 446.573 1.987 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCS1(=O)=O 1358980822 LKQXRWFFCSBUPF-IBGZPJMESA-N 436.541 1.557 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359101875 TVJCBJUXMLNOGD-HBFSDRIKSA-N 431.562 1.868 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359198197 KTBQKRRUMKPVAQ-FRQCXROJSA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359297763 AYOVXKPWUBHVIR-UHFFFAOYSA-N 448.531 1.380 30 10 IDEE C#CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCOCC1 1439370397 LGUWNNPHYRANBM-INIZCTEOSA-N 432.498 1.312 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CCC(=O)N2CCC(O)CC2)nc1C 1443494731 VRKOOZBBISDMJZ-UHFFFAOYSA-N 436.563 1.887 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cc3c(Br)cc(F)cc3[nH]2)CC1 1462531793 DZRIVNBAEHMHCT-UHFFFAOYSA-N 429.315 1.655 30 10 IDEE N#C[C@@H](NC(=O)COc1nsnc1N1CCOCC1)c1cccc(Br)c1 1466107637 SXXBJHWXFLBFLZ-CYBMUJFWSA-N 438.307 1.897 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C(=O)OC)C1 1466317042 FGPGSVAAJLHAOD-IAGOWNOFSA-N 436.505 1.590 30 10 IDEE N#C[C@]12CN(C(=O)N[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C[C@H]1CS(=O)(=O)C2 1469435024 MZCZVRAVJUKOOU-OAVHHTNSSA-N 440.884 1.164 30 10 IDEE COCC(COC)N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1469863488 DVPWZFQQRZXBGI-UHFFFAOYSA-N 431.537 1.632 30 10 IDEE Cc1cc(O)nc(N2CC[C@@H](NC(=O)COc3cccc(Br)c3C#N)C2)n1 1471856970 COFCLQFSNMNCKY-GFCCVEGCSA-N 432.278 1.899 30 10 IDEE C[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1493781240 VNBAPJSXWLIBGS-BZROSYFNSA-N 441.536 1.553 30 10 IDEE CCc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1499154825 ZGTNNELAONHRRD-MRCUWXFGSA-N 437.504 1.399 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1499307719 MSZKUXUCEBXIDY-SFHVURJKSA-N 433.472 1.441 30 10 IDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1503279810 CBLQAIGHSXTIDI-UHFFFAOYSA-N 445.593 1.534 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C)nn1C 1504873607 HWXBMTPOYFSLRD-HXUWFJFHSA-N 448.531 1.844 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507639644 LNEOOJKLDHAVKE-IBGZPJMESA-N 447.609 1.107 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCOC 1507644334 FSVYOCDTGLGPOL-OAQYLSRUSA-N 430.530 1.209 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCNS(C)(=O)=O 1507673065 OPGUKXMWKJUOMP-UHFFFAOYSA-N 429.546 1.486 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1507692279 VTPHCSATKAFURX-QGZVFWFLSA-N 446.552 1.572 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2COCCO2)CC1 1507725900 CGNFVMICEDYMQC-HXUWFJFHSA-N 425.533 1.645 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)CCOC)CC1 1507742456 IGRDRMIXVLNJNB-QHCPKHFHSA-N 440.548 1.017 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1507790930 FRWHYLLRJONBRF-ZCNNSNEGSA-N 448.612 1.945 30 10 IDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1507874501 ULKTYFYAUNBKIT-FQEVSTJZSA-N 429.613 1.944 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1507947319 BOFXRQTWWFIXBB-LJQANCHMSA-N 437.548 1.956 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCn2nc(C)nc2C1 1508095136 LWDKWWXDNYCEFM-UHFFFAOYSA-N 436.520 1.294 30 10 IDEE C=CCNC(=O)Cn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098356 OOAKNSADLZQBEA-KGVIQGDOSA-N 449.552 1.005 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC 1508142502 DJBONAROXDPSRV-SFHVURJKSA-N 431.562 1.379 30 10 IDEE Cc1cc2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@H](C#N)C3)ccc2[nH]1 1510691624 HGVWMSPUXABPHZ-WMLDXEAASA-N 443.533 1.455 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1512996921 GASFICBVTUZNPE-MRXNPFEDSA-N 439.520 1.576 30 10 IDEE O=C1CS(=O)(=O)C[C@@H](C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)N1 1530180140 DCJPAGRTDLRGSG-VIFPVBQESA-N 436.305 1.828 30 10 IDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2nc(C#N)cs2)CC1 1538824968 UKRWNXPLVYVCFT-UHFFFAOYSA-N 448.526 1.518 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1539220393 RPNFEBVCDYLOQN-INIZCTEOSA-N 442.607 1.094 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539222312 VLPNYAJAGGGYQG-VQTJNVASSA-N 444.557 1.626 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1539415495 DWARKXZXQIQIKE-RXVVDRJESA-N 435.594 1.076 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1539417002 WURSUGSQCQTHPI-LJQANCHMSA-N 445.589 1.575 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)OC)CC1 1539452132 LQLVCPWFFNSUJA-MSOLQXFVSA-N 448.568 1.377 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(F)ccc2OC)CC1 1539481757 NWYPZPMSXXVILF-KRWDZBQOSA-N 441.507 1.944 30 10 IDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1539525130 UPCNIRSTMSWRRK-HXUWFJFHSA-N 441.601 1.959 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539714375 FMHPLTWZPBQZPI-SFHVURJKSA-N 429.569 1.110 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(CC)n2)C1 1540884002 ISCKHYZOMPMVQY-DZGCQCFKSA-N 440.595 1.737 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1540908905 QZMYOXAXWVYRGI-UHFFFAOYSA-N 445.549 1.009 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541197009 QLLZTKPVFULYJH-AEFFLSMTSA-N 429.569 1.653 30 10 IDEE COCCN(CC(=O)OC(C)(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1543220709 YPKOIUQPYBOEMR-QGZVFWFLSA-N 444.488 1.580 30 10 IDEE CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 1545776274 AWWAXYUKDSECPB-IUODEOHRSA-N 430.324 1.534 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1([S@](C)=O)CC1 1548171076 GLUILHAYXQQBFG-PMERELPUSA-N 429.550 1.319 30 10 IDEE COCCCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555463766 OLNHSLJPJQPYCH-UHFFFAOYSA-N 439.520 1.752 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1555674148 RRNXKEFGWYEDMZ-XFQAVAEZSA-N 431.493 1.899 30 10 IDEE CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1555818795 FXCOVHDWIJPHAF-QZTJIDSGSA-N 446.533 1.128 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)N2CCSCC2)C1 1555985891 BKUOBLLWJOZREW-KRWDZBQOSA-N 428.559 1.051 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC(F)(F)Br)CCN1C1CC1 1555993531 PUJFHAYGZPVONK-LBPRGKRZSA-N 439.268 1.899 30 10 IDEE CC(C)(C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1)C(N)=O 1564688854 BARONTWEECPTOV-MOPGFXCFSA-N 425.533 1.982 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 1567646184 UMCXQXZNYZQHHE-UHFFFAOYSA-N 448.574 1.017 30 10 IDEE CN(C)C(=O)O[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1569298975 PEKGDTPJUWQZTN-IRXDYDNUSA-N 427.461 1.452 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1587561740 HVWJTKUGICNAGB-QWHCGFSZSA-N 426.930 1.474 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1587651581 NTMFKGPJTLCVEN-ROUUACIJSA-N 435.532 1.469 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1587755080 SVJCLMBPEMYCPE-INIZCTEOSA-N 443.577 1.709 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1587870333 ZKDLYYPYRKRASE-UHFFFAOYSA-N 430.578 1.928 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC1CCCC1 1587990179 UBQOXCFUPQSSEZ-QGZVFWFLSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588055057 RWRNMSOUSIQFGK-RBUKOAKNSA-N 438.594 1.862 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1588171334 ZYRQOHGXHHXDIK-HDICACEKSA-N 438.536 1.803 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1588186059 QSXWGARCJRDKMZ-QHCPKHFHSA-N 436.516 1.795 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C[C@H]1C 1588595152 NLEVKWAQWJJSRF-AEFFLSMTSA-N 431.562 1.937 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1588733369 QZJYCDAKXPQTHM-UHFFFAOYSA-N 433.520 1.005 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589513774 BRBIDWHBRAHROJ-LPHOPBHVSA-N 448.593 1.783 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1593763510 MNMNKNJPQHECGQ-OALUTQOASA-N 432.569 1.150 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CC[C@H]1C2 1595497048 OJTCUQDEBHSSTL-RDJZCZTQSA-N 444.561 1.486 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1595507139 XPAFMEANTVZXOX-IBGZPJMESA-N 429.521 1.886 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(N(C)C)CCOCC2)C1 1595754384 NMGRWDVZZMDIPG-UFYCRDLUSA-N 449.596 1.894 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1596602944 IJNVCYVDJYKKSN-AWEZNQCLSA-N 430.571 1.940 30 10 IDEE N#Cc1cccc([C@@H]2CN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)CCO2)c1 1598447762 BOHJUWFQYVDHBI-OALUTQOASA-N 449.916 1.451 30 10 IDEE CCN(CCCn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1615624841 DDEZWARAQJYRHQ-LJQANCHMSA-N 435.529 1.377 30 10 IDEE C=CCO[C@H]1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1616569330 KQMMCFXVKJVIHK-FQEVSTJZSA-N 437.562 1.548 30 10 IDEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(C#N)ccn1 1616933677 SPQADKQXUGCRIY-TZMCWYRMSA-N 426.395 1.947 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)cc1 1618180415 HMGZLPJYQKMXKH-IBGZPJMESA-N 425.510 1.827 30 10 IDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 1620491034 VUWAUJFCDYNJGE-UHFFFAOYSA-N 428.514 1.748 30 10 IDEE COCCN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1cccc(Br)c1C#N 1622293500 GQZJCVZLVVYVLG-LBPRGKRZSA-N 431.230 1.881 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 1631330545 FKAQGOBMRGKORG-TZIWHRDSSA-N 434.475 1.855 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1)[C@@H]1CCCO1 1634470417 SPIZFVWWTSABJQ-KGLIPLIRSA-N 425.436 1.920 30 10 IDEE COc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1S(N)(=O)=O 1635835641 LTHNJMFIRAQMOS-GOSISDBHSA-N 430.486 1.497 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(C)(F)F)CC1 1636173101 IAOLHMHNALNVLU-INIZCTEOSA-N 442.532 1.939 30 10 IDEE COc1ccc(CN(CCO)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1643528021 CQFIIZOVNJYWPE-HXUWFJFHSA-N 436.468 1.793 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1644587348 JKNBBKYJOQDMOT-RBUKOAKNSA-N 444.532 1.813 30 10 IDEE CS(=O)(=O)CCOc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1645317997 KVKWXOVDOJGDDQ-UHFFFAOYSA-N 440.474 1.799 30 10 IDEE C[C@H](CC(=O)N1CCC2(CC1)CC(=O)C=CO2)NS(=O)(=O)c1cccnc1Cl 1645737512 GEBWMABVWNDVQN-CYBMUJFWSA-N 427.910 1.656 30 10 IDEE N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1652834670 DTPUYEONLYNRQN-RTBURBONSA-N 433.505 1.880 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)c(C#N)c2)n1 1663733979 HVOCUGCIIMNNDI-UHFFFAOYSA-N 437.319 1.988 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)C1 1671459714 WDUMRRPOKPFTIA-INIZCTEOSA-N 428.514 1.718 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 1671641035 HRSCXBXVTBUZNG-OAHLLOKOSA-N 444.517 1.514 30 10 IDEE COC(=O)C1=NO[C@]2(CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 1681515820 MMABDVOTYJTHCP-IIBYNOLFSA-N 425.445 1.157 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1681805898 ZFMXYVOCVWUNIZ-ZLPCBKJTSA-N 435.550 1.614 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1689866349 AMWSRIJBVUXZMS-OAGGEKHMSA-N 429.529 1.584 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1689985931 FLTOWQGFCBANFR-MRXNPFEDSA-N 433.509 1.237 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C1CC1 1690013593 VSVBNXJNRFKJET-KRWDZBQOSA-N 439.589 1.794 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690175495 YNEPULZCPZKWPN-YJBOKZPZSA-N 427.530 1.824 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1690313168 MMMZPGDWFHECSU-KRWDZBQOSA-N 439.582 1.078 30 10 IDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1690315456 APFFYIHNQGQAKN-UHFFFAOYSA-N 437.541 1.682 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](CC)C1 1690659034 IDCJAJZNMGYGMP-KRWDZBQOSA-N 446.939 1.779 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1690671569 YWKKTFAPUGMYHU-FRRDWIJNSA-N 435.472 1.117 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CC)C1 1690720688 QBRLGJQQYWZTNT-INIZCTEOSA-N 434.518 1.890 30 10 IDEE CC(=O)NCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C[C@@H](C)C#N 1690968307 YDLRCBVUIOJQCF-AWEZNQCLSA-N 446.581 1.669 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1691001252 FXGLQURIXOZGAO-WMLDXEAASA-N 448.531 1.703 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1691550462 FMRUKHZRCBCHPG-QFIPXVFZSA-N 426.521 1.694 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1692603060 CEETYDSSNFBFEY-LJQANCHMSA-N 447.561 1.882 30 10 IDEE C[C@@H](Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C)N1CCOCC1 1692784744 MLVSVHVCSWVGJR-SFHVURJKSA-N 438.580 1.890 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1698243003 BAXUZCNJYWHNCN-VXMYLDFPSA-N 430.509 1.375 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)OC 1698254174 LMQBBPCFIXKRET-WDSOQIARSA-N 441.536 1.630 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1N1CCOCC1 1705501194 WWOPDCZFTJLZMC-SFHVURJKSA-N 434.548 1.878 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)C(C)(C)C 1705550314 GDOIJJPJBGNAEB-LJAQVGFWSA-N 436.607 1.855 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705561279 OPIKKYCBXJCKAC-HOCLYGCPSA-N 425.555 1.374 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705567282 VITXSHRQGDFVHJ-YRXWBPOGSA-N 436.578 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1705584412 JPKHGFUEWQLASZ-GOSISDBHSA-N 429.521 1.505 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705708254 ZZXJGCJCKGAIPY-JGQIHZOTSA-N 447.580 1.967 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1705786400 NDOJIKAQXMCRLE-CVEARBPZSA-N 440.614 1.986 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cs2)CC1 1705812088 QULLGVUWXMCAGG-OAHLLOKOSA-N 439.611 1.946 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1705880072 SZHDSLCXZAGPCH-MRXNPFEDSA-N 435.550 1.487 30 10 IDEE C=CCNC(=O)Cn1c(N2CCCO[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705909542 ZWOMADGXBRSALU-ZACQAIPSSA-N 448.568 1.966 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCSCCCO)CC2)c1C#N 1707807709 KEPVUDXUVKYTEW-UHFFFAOYSA-N 444.609 1.586 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1710307609 FWWNMLJAKVQOCF-OAHLLOKOSA-N 425.537 1.797 30 10 IDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)OC 1712160871 GBZGKVQNOYNHOF-AVRDEDQJSA-N 440.504 1.249 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1712704414 CHCPUJPSGROJCF-QGZVFWFLSA-N 430.534 1.325 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1722368609 SEKUJYBVOVYMLE-OWSLCNJRSA-N 433.578 1.682 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C2CCCCC2)CC1 1722428888 CKGKUWDZLXPMPU-UHFFFAOYSA-N 441.624 1.924 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722450925 STCNKMPBWLYMMO-AZUAARDMSA-N 442.564 1.354 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722695795 QMFYKMXWFUZWOM-FQEVSTJZSA-N 438.576 1.968 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC=C)Cc1cccs1 1722699835 ZLDVJDMEFITBKA-OAHLLOKOSA-N 435.575 1.737 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOC2=O)CCOC1 1723675863 JFHGJLNSANSVSM-PMACEKPBSA-N 436.488 1.603 30 10 IDEE CCN(C)C(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1728261779 APGBQSUVRSHHGW-INIZCTEOSA-N 425.541 1.526 30 10 IDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1729365605 NWPCAKUDWXIONV-DVSFIDLUSA-N 439.545 1.732 30 10 IDEE N#Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)o1 1731184709 SAHQEYYIDINJTH-LBPRGKRZSA-N 446.393 1.753 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@]2(O)CCN(C)C2)c1 1740562284 HOOBMVXEZGDBTK-DEOSSOPVSA-N 445.527 1.463 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)Cc1ccccc1 1740636746 BCNMSLOLCZPYJZ-UHFFFAOYSA-N 436.541 1.757 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1740653449 MTXWITNMHSWQID-GOSISDBHSA-N 443.511 1.972 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1coc2ccccc12 1740671223 BGXKZGBCMMQROX-IBGZPJMESA-N 443.529 1.865 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 1740693540 CCKHYLPDFUODTN-QGZVFWFLSA-N 431.537 1.807 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740709507 IIAUEUXORRNNIO-UHFFFAOYSA-N 433.582 1.121 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740742841 CWVILNYHZIHUPU-QLFBSQMISA-N 441.374 1.683 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1740798891 CUICJKIWBICONS-PKTZIBPZSA-N 449.596 1.824 30 10 IDEE C=CCSCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OCC)CCOC1 1741005343 WJLCVWRTVFOXBO-FVJLSDCUSA-N 435.594 1.906 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741303727 BJSDVSNVEWSMQU-AVRDEDQJSA-N 425.537 1.782 30 10 IDEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1745082063 PXTVFKWRHYYTTO-PLNGDYQASA-N 437.548 1.668 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)c1=O 1746363635 DUNNSIFVRHLBRN-QHCPKHFHSA-N 431.500 1.748 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748810688 ZPHZEKAWJBYDOY-QGZVFWFLSA-N 429.546 1.405 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1748812618 YDKVTOWXNCTLFT-HBIPHATFSA-N 435.575 1.201 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748851714 KOZZPKYLRXDHPU-LJQANCHMSA-N 447.543 1.142 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc2c(c1)OCO2 1748948842 YDIUIJGFCFBZFC-UHFFFAOYSA-N 441.488 1.408 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ncccc2C)n1 1748971111 CZNGSQFFKLNWOG-LJQANCHMSA-N 448.531 1.464 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCc2nc(C)no2)CC1 1748979997 VSYDTNJCTINWND-UHFFFAOYSA-N 436.476 1.933 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1748990445 WTAMIUQNVQFSGW-RBBKRZOGSA-N 438.576 1.849 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749376522 LCMIFPGMTNENFW-SJORKVTESA-N 430.484 1.805 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H]2C)C1 1749698708 WUNJWOGQPYUIRD-YESZJQIVSA-N 426.587 1.154 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@@](=O)CC)C1 1749701310 SNUWLNMBADHPKP-DRKIFQHWSA-N 442.549 1.471 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCCO2 1750009887 ZEKPPVBTSBMCKR-DOTOQJQBSA-N 429.477 1.550 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H](O)C1 1760244620 BCJWYWIXDCZINI-MJGOQNOKSA-N 446.573 1.986 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CCOC(C)(C)C1 1760250662 KBOCXXZSLFTREZ-UHFFFAOYSA-N 432.594 1.831 30 10 IDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760358919 BWFXNEGYKWOPGO-GOSISDBHSA-N 444.561 1.733 30 10 IDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760359089 GQQIIVQVNFANDE-UHFFFAOYSA-N 427.553 1.067 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2cccc(C)c2)CC1 1760382268 MUQXUSZPOFNDAJ-QGZVFWFLSA-N 446.577 1.783 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C(C)(C)C 1760457574 YARRMCXUEFUSTR-UHFFFAOYSA-N 448.593 1.980 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCn1cnnn1 1760478823 SQFBLIHFGVRUHQ-UHFFFAOYSA-N 446.519 1.655 30 10 IDEE C=CCn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760513069 IQDSPQKXHGOBQB-XXBNENTESA-N 446.596 1.638 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760552598 UNHHHMAUWLMLFI-OXQOHEQNSA-N 433.534 1.325 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1761291539 LVARQJVPTYTRTC-HRAATJIYSA-N 434.541 1.352 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1762775926 KCTKDQSZIOIAMC-SYWZAZHRSA-N 429.525 1.568 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1763200997 DPLCIYKNKNUCOE-SJLPKXTDSA-N 442.545 1.356 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1766622116 YYPLYIHNGKMTAC-UHFFFAOYSA-N 434.504 1.882 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2sccc2C1 1767843707 HWXVOTUBRLEYAJ-UHFFFAOYSA-N 428.543 1.990 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)C1 1767896092 VEUJERBCDWLPAK-HXUWFJFHSA-N 438.532 1.928 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1769547800 BTZUYFPHEJJLFV-PWHSHALESA-N 438.532 1.852 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2COCCO2)c1 1770308747 MIMRFUIHHYHNLV-SFHVURJKSA-N 445.545 1.894 30 10 IDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1770596052 GXGWVDPTDPPQBF-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CC(=O)N1CCN(CC(=O)Nc2nncc(-c3ccc(Br)cc3)c2C#N)CC1 1852534529 WJPWYSMMWFNXQZ-UHFFFAOYSA-N 443.305 1.880 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCN1CCC(C#N)CC1 1853038298 QKWNOGURWJIWOJ-CYBMUJFWSA-N 443.367 1.468 30 10 IDEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(C(=O)c4cc5n(n4)CCCC5)CC3)cn2c1 1853048568 URPSMACSTUMVSA-UHFFFAOYSA-N 437.891 1.990 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1=O 1856791710 HMYUXADZGYLXHQ-GDBMZVCRSA-N 428.894 1.363 30 10 IDEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCO2)cc1 1858992097 RZWMCGIAKUQEPW-IBGZPJMESA-N 442.497 1.906 30 10 IDEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nnnn1C 1870232863 MZFYFFTWUPHDHJ-UHFFFAOYSA-N 439.501 1.251 30 10 IDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871620913 FEXQDDJBFMNAMR-UHFFFAOYSA-N 443.508 1.529 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1O 1874337977 PVTIZHAWUYMZMZ-GNZXAGPDSA-N 433.490 1.561 30 10 IDEE CN(C(=O)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1)C1CN(c2nccnc2C#N)C1 1891246118 ZXGOQSVZMGTYAK-WOJBJXKFSA-N 449.540 1.238 30 10 IDEE C=C(I)CS(=O)(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1895190986 JGWXALMIFUQUCC-VIFPVBQESA-N 433.264 1.718 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2011939632 OYJJPIIQVRESTI-AUSIDOKSSA-N 428.533 1.985 30 10 IDEE Cn1nc(C(=O)NCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2243389423 UCIYWVFUUGCYRI-UHFFFAOYSA-N 428.726 1.627 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2243390537 XIIDUWJBFAZZAN-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248440314 GMBGSEOWXXCDRC-AWEZNQCLSA-N 440.371 1.939 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2255636207 QYFDZQPGJFPHEG-ZFWWWQNUSA-N 434.346 1.845 30 10 IDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255820835 BKLURDDZTQKXQU-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)c(C)nn1C 2255822920 QZIXNKADSWGMGJ-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE Cn1ncc(C(=O)NC[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2267510496 LVNBHIULUWYTSJ-RBVVOMGSSA-N 446.357 1.562 30 10 IDEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCN(Cc2ccccc2)C1 2267606308 WAEYOKXPCXVSGT-SFHVURJKSA-N 439.369 1.851 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2 2312859533 BUDKJMMNDFOTPB-AEGPPILISA-N 432.330 1.457 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2318494046 MEGKODUZEFMWNW-MELADBBJSA-N 432.330 1.837 30 10 IDEE COc1[nH]c(=N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2339787927 IHAYGSYSGKFTOB-CVEARBPZSA-N 449.357 1.594 30 10 IDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2367819071 OCIDGGHYVPTAGP-SIKLNZKXSA-N 434.558 1.709 30 10 IDEE C/C(=N/NC(=S)NCCN1CCOCC1)c1ccc(OCC(=O)N2CCCC2)cc1 33496991 BJAIVKANTUGEKZ-QJOMJCCJSA-N 433.578 1.208 30 10 IDEE Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C#N)cc1)O[C@@H](C)C(=O)N2 35452734 QAQIWWDDXREODA-ZDUSSCGKSA-N 428.470 1.845 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 427704516 KAUPCMUCEXFRDC-SJORKVTESA-N 435.480 1.597 30 10 IDEE CCCc1c(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cnn1-c1cccc(C#N)c1 443700041 RDCDCRPYEHDMMH-KRWDZBQOSA-N 427.530 1.961 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 446630049 DDUDPIYTVYWSHC-ZIXIKHRUSA-N 449.511 1.750 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447779772 VDNJSMZTRSOPNG-UHFFFAOYSA-N 445.548 1.843 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1 464421033 OWPGKRCYDYSIGC-UHFFFAOYSA-N 438.531 1.208 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@H](CO)c2ccsc2)CC1 473176510 XHVAIXUUGDNZBP-MRXNPFEDSA-N 427.486 1.840 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)c(F)c1 480731771 XXEBRHWEEXPLRK-UHFFFAOYSA-N 437.927 1.810 30 10 IDEE CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 486047799 XGZNTODXCGLBRT-GOSISDBHSA-N 447.538 1.626 30 10 IDEE N#CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccccc1 487326826 QDOMEYKFJIAXRV-HXUWFJFHSA-N 440.525 1.972 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 492291671 SXUSGZUKSIHXQW-UHFFFAOYSA-N 448.589 1.311 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)C1=O 504493812 BGQXCACBLCCJKF-XNRPHZJLSA-N 427.457 1.358 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ncn(CC(=O)NCc4ccccc4)n3)cc2C1=O 506543753 ZBRUTHNDRJLIHC-UHFFFAOYSA-N 444.451 1.629 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 508919452 QMRGOFGRTROXQS-SFHVURJKSA-N 428.518 1.846 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C 514474998 DOLDXZGTKSXEIX-UHFFFAOYSA-N 434.521 1.258 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 515977557 WNAPAGKXSMWUSG-OAHLLOKOSA-N 439.497 1.735 30 10 IDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cccn2)C1 555253391 BTKJVZWUDHRFPF-MRXNPFEDSA-N 427.534 1.948 30 10 IDEE C[C@H](OC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 732402192 OENYUTBXOYPOEO-WMLDXEAASA-N 443.481 1.936 30 10 IDEE CN(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(Cl)n1 733092394 DXQFDZWVFXEXCR-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE C#CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 734135341 QXUIXEAKHJUBSH-IPMKNSEASA-N 432.542 1.425 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)/C=C/c1cccc(Br)c1 735081407 KSYYGRWIRGYUHC-ZQMRGCAXSA-N 426.292 1.866 30 10 IDEE C[C@@](O)(CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O 757470086 AHRDSCRNUUEKOG-DEOSSOPVSA-N 436.464 1.870 30 10 IDEE C[C@H](CC(=O)NCC[C@H]1COc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 765658050 LGNZYEXCJZFCCO-CABCVRRESA-N 429.498 1.850 30 10 IDEE C#CCN(C(=O)NCC1(c2ccc(OCC)cc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 774195453 JLZLPZDWUWAFAP-IBGZPJMESA-N 434.558 1.965 30 10 IDEE C=CCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[C@H](Cc1ccccc1)C(=O)OCC 781157404 CUOUPAKKXGCIGI-SYGIOELKSA-N 425.485 1.286 30 10 IDEE Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1C(=O)N1CCOCC1 785419140 ITCZGVWSEFMQGR-UHFFFAOYSA-N 442.497 1.145 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCC2CS(=O)(=O)C2)C1=O 786683605 QYSYMMJHMPVAJZ-AWEZNQCLSA-N 447.941 1.981 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(COC)(C(=O)OCC)CC2)ccc1F 794334241 IHMXCXXEOZMYAQ-UHFFFAOYSA-N 442.509 1.722 30 10 IDEE CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801844952 IDAQRHDHTOCPLC-QGZVFWFLSA-N 429.550 1.392 30 10 IDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 809893523 PYSLUIVYRZIUMA-UHFFFAOYSA-N 428.493 1.186 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812100928 MMHSGPHDOSXKPO-HNNXBMFYSA-N 440.472 1.820 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOC1 812418939 ZLNLRPKDNADLFK-GVDBMIGSSA-N 448.524 1.352 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(F)cc3)n[nH]2)cn1 1084027287 MCWQAJYMXUUAPU-UHFFFAOYSA-N 432.485 1.641 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1128332622 AODLOYIRDVZJPF-UXHICEINSA-N 427.501 1.401 30 10 IDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1(Br)Br 1134428920 HCHMPXZGPGLDNW-INTQDDNPSA-N 426.130 1.279 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)cc1 1135332346 HCOJFJHAUONKDK-FQEVSTJZSA-N 437.475 1.016 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(CC#N)cc3)CC2)cc1 1143220646 MJAUVVNRBRDEPT-UHFFFAOYSA-N 426.542 1.684 30 10 IDEE COC(=O)CCN1CC[C@H](Sc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)C1=O 1164623543 YZWHHZYNFGYVNX-HNNXBMFYSA-N 428.470 1.986 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 1166600898 KHIICRBUWYDOOR-LEWJYISDSA-N 443.500 1.848 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 1175515274 VGZOEQDUQGMGGT-OXJNMPFZSA-N 442.582 1.072 30 10 IDEE O=C(c1cnn(C[C@H](O)CO)c1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605555 UIUMENRPVSMORY-LPEHRKFASA-N 437.287 1.479 30 10 IDEE C=C[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 1196348309 MHSXTNGRFACKMV-MRXNPFEDSA-N 425.551 1.723 30 10 IDEE C=CCCSCCNC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1230747999 GTLHWXLZUIRVAT-UHFFFAOYSA-N 425.576 1.867 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCc1ccccc1 1286296986 UDGVFJPAKOKLAN-HKUYNNGSSA-N 447.561 1.286 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCS(C)(=O)=O 1286416141 VWIXJCIQBNXAER-CALCHBBNSA-N 449.577 1.556 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286439623 UFAFGCWYMPWSCT-GOSISDBHSA-N 431.475 1.681 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)nc2)CC1 1286490289 PPJYXUSRNOHCQQ-UHFFFAOYSA-N 446.559 1.759 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286503168 ASVOJJCLOOOWJD-FQEVSTJZSA-N 426.550 1.531 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1286705792 FJKGFVGGGXPJIF-UHFFFAOYSA-N 441.536 1.823 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286709651 AMMYUBRPVPYZDB-MRXNPFEDSA-N 447.609 1.825 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1286787861 KNLYYIBGLDNJBA-QGZVFWFLSA-N 442.495 1.186 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286824623 YZWILOHAWPSPNF-OAHLLOKOSA-N 429.612 1.739 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 1288172899 FAMBCTOEYOKSSS-OAHLLOKOSA-N 426.564 1.938 30 10 IDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)C1 1288988539 AISPZXMZILFAII-NRFANRHFSA-N 444.561 1.733 30 10 IDEE CCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)S(N)(=O)=O 1291722985 UKHTXTRYEGOTRG-SEPJKUCUSA-N 444.579 1.675 30 10 IDEE CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1295154496 ZOEHSVSWLKXBES-WUKBZCGHSA-N 444.536 1.834 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1298534891 AIRTVJMYABHYST-QQMHEVNUSA-N 439.520 1.815 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1cccnc1 1298741785 BDYQSCCTLCWJBK-UHFFFAOYSA-N 425.518 1.440 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@@H]1C 1299434323 ZHYLXSMZBWLXFF-INIZCTEOSA-N 449.519 1.855 30 10 IDEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1300385814 GRTQLIMXWPGFAL-UHFFFAOYSA-N 439.911 1.347 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(CS(C)(=O)=O)cc1 1300454984 DAEALFXWZVQSAT-UHFFFAOYSA-N 441.513 1.668 30 10 IDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1300644521 YVLGZSURXKKARV-MRXNPFEDSA-N 435.525 1.880 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nncn2C)CC1 1300707754 IRQZGEUREMNPDH-UHFFFAOYSA-N 426.912 1.443 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC(F)(F)C2)CC1 1300710711 JBQROCJXWQATKA-OAHLLOKOSA-N 436.507 1.818 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)C(C)C)CC1 1300728685 DJOYJTKBMATWDT-UHFFFAOYSA-N 443.621 1.940 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1300756234 JFWMFFUTEIKJCB-IRXDYDNUSA-N 428.566 1.645 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300983439 IRWQZNNIPBVIKF-HXUWFJFHSA-N 439.564 1.676 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1300991049 ORILIBIEKKCMOI-QGZVFWFLSA-N 441.598 1.830 30 10 IDEE CCS(=O)(=O)C1(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1301241999 LGPLTNVMVPJBNB-XAUUPUKJSA-N 425.551 1.857 30 10 IDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301436112 NYGIUWFVCVUXNI-UHFFFAOYSA-N 427.465 1.614 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3c(C)nn([C@H](C)CC)c3C)[nH]n2)CC1 1302921764 SDFNSRUQLXGURO-CQSZACIVSA-N 447.565 1.086 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1303010232 SEYSAIPUGYMEQV-ZNMIVQPWSA-N 430.431 1.121 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)s1 1304227596 AYNFRVDJBOSFGP-AWEZNQCLSA-N 444.575 1.620 30 10 IDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1306284940 YOBAKOKPTYQECL-NHWLHPCLSA-N 429.525 1.568 30 10 IDEE C#C[C@@H](NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1)C1CCOCC1 1313042046 CHXZEYVBKCWOQK-OIMFZILRSA-N 449.548 1.903 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)C[C@H]1O 1315108371 HBOSDNORCHNYBZ-IEBWSBKVSA-N 435.488 1.267 30 10 IDEE CO[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315736146 VABKHWBMJZBYKL-WMYGCIETSA-N 430.509 1.517 30 10 IDEE C=CCN(C(=O)CN1CC(=O)N(C)C1=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1351498645 OFCVGZGCIJGHQY-UHFFFAOYSA-N 448.526 1.627 30 10 IDEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NCCOC)CC1 1358927237 RFTIXUMUZLJTLV-UHFFFAOYSA-N 449.559 1.724 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N1CCOCC1 1358948345 AAECNRAQULXDKL-UXHICEINSA-N 443.573 1.323 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358962517 RDESZOHHTSLCBT-OKYOBFRVSA-N 436.578 1.819 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1-n1cccn1 1358983975 DFCBAGBGDLJRAY-PMACEKPBSA-N 431.500 1.704 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1359018719 ZXGFNJAALNLALE-UHFFFAOYSA-N 444.580 1.245 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359202632 YONZGRDKWXBLFY-HOJAQTOUSA-N 443.596 1.574 30 10 IDEE C=CCCCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359206617 KKHFNAOPXLUSCD-LJQANCHMSA-N 427.571 1.368 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)C)CC1 1359291396 OSTUACMATOREQX-UHFFFAOYSA-N 439.564 1.980 30 10 IDEE N#Cc1ccc(C[C@H](C#N)C(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1437609335 WLTQRNLKYLRJGE-OAHLLOKOSA-N 426.274 1.944 30 10 IDEE C=C1CCC(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CC1 1440779405 AGFFVCXBXUGURP-UHFFFAOYSA-N 434.562 1.498 30 10 IDEE CN(C)CCN1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O 1452796585 CMRUNAYAJFWGGY-UHFFFAOYSA-N 439.476 1.218 30 10 IDEE C#CC1(O)CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 1453838318 BBDSEOQFFZTUIL-UHFFFAOYSA-N 442.493 1.859 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](CNS(C)(=O)=O)C2)n(Cc2ccccc2)c1C 1460744002 PWWMNAICHYQSNU-LJQANCHMSA-N 443.573 1.835 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccnc2N2CCOCC2)s1 1464009991 YZTCBMCBXKGCMQ-UHFFFAOYSA-N 436.559 1.303 30 10 IDEE COC(=O)c1cccc2c1CN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 1469373305 MQPGNCKTCVXHLB-AWEZNQCLSA-N 427.482 1.597 30 10 IDEE N#Cc1cn(CC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(=O)nc1O 1469957396 SQQQHHZFDSZMNU-OCCSQVGLSA-N 441.410 1.003 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(c2nccc(C3CCOCC3)n2)CC1 1471369615 RFLZYBWNSZVMBI-XTQSDGFTSA-N 439.516 1.993 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 1471568436 KTFAQYUIPUOBLE-UHFFFAOYSA-N 436.509 1.069 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c1 1472963162 TVPARKFBZUJIAP-AWEZNQCLSA-N 447.542 1.214 30 10 IDEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CCC1 1475839298 XHDYERADGMFICY-HNNXBMFYSA-N 425.532 1.220 30 10 IDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1499969346 FVHNHZMGZDXTRC-JOCHJYFZSA-N 426.521 1.948 30 10 IDEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1502291812 HYMUUQMRURQMIQ-HLIPFELVSA-N 437.614 1.893 30 10 IDEE CCN1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1=O 1502300949 SASPUUAQXTZLAB-UHFFFAOYSA-N 434.460 1.497 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)OC 1504580860 INKDFVUALNMIAI-MAUKXSAKSA-N 428.493 1.755 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1COc2ccccc2O1 1507714813 XGLOQORJENJAOI-WFXMLNOXSA-N 442.516 1.928 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507736780 SZRQWOZYEYCMRR-ROUUACIJSA-N 444.580 1.252 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(OC)C2CC2)C[C@H]1O 1517689489 IUGKIVNTFRYKLL-LYHRCORUSA-N 439.516 1.992 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1 1518650528 FUFMPZITRFPJKD-UHFFFAOYSA-N 434.447 1.741 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H](C)O1 1520761016 HRUFUHFWVFUKOS-IYBDPMFKSA-N 445.545 1.370 30 10 IDEE CC(=O)c1cc(C#N)ccc1NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1526199771 FWYXKPXNYQJWIG-UHFFFAOYSA-N 434.495 1.831 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2)cc1 1536264192 DBBPAQWYINLWTJ-FQEVSTJZSA-N 446.573 1.328 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CCCO 1538992029 JIFLHZKHWUOWNG-PXNSSMCTSA-N 435.536 1.226 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1539015844 WEWSNXKOQVWXKN-GOEBONIOSA-N 437.591 1.978 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCS(=O)(=O)C1 1539202408 HXDCBOIOJSQCTM-ZWKOTPCHSA-N 437.610 1.049 30 10 IDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539592568 HAJPKROQRXKTPH-ZDUSSCGKSA-N 447.297 1.116 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539743534 JPZGJRZWLDDYRM-QGZVFWFLSA-N 434.566 1.698 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539751852 WLHGVCQRODLAFW-DLBZAZTESA-N 439.582 1.268 30 10 IDEE CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978551 RZVGNCZSCUJXNP-HVESIFNPSA-N 430.461 1.757 30 10 IDEE COC(=O)[C@@H]1O[C@@H](C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C[C@H]1C 1545163858 RGTHJHIJHBIEHQ-NIKGAXFTSA-N 425.489 1.650 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1545684726 CMTJDBYUGXMSJC-YZVOILCLSA-N 439.586 1.323 30 10 IDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1554542326 DTFLLIIQMJWNLK-UHFFFAOYSA-N 440.504 1.644 30 10 IDEE COc1ccc(OCc2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1554968233 SBUYTLIJMPISQR-QZQOTICOSA-N 438.488 1.991 30 10 IDEE COCCOCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1555718023 XNHJPYBLFUDTFU-HNNXBMFYSA-N 439.476 1.376 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1555803687 XDKCPANWUQOVFL-UHFFFAOYSA-N 428.518 1.062 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CS(C)(=O)=O)C2)n(Cc2ccccc2)c1C 1560185202 SJKWDDQIRNDXNP-LJQANCHMSA-N 444.557 1.709 30 10 IDEE Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c(Cl)c1 1564723521 AKBORYSGQIPLMZ-OAHLLOKOSA-N 445.911 1.433 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)Cc1ccc(F)cc1C 1564978431 VMQNRSQLXXCIJF-LJQANCHMSA-N 438.507 1.837 30 10 IDEE COC(=O)[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccnn1C 1570666722 KXTORBIUODQLCB-MRXNPFEDSA-N 432.278 1.521 30 10 IDEE C[C@H]1CN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)CO1 1584189168 BDQUBIXPUSBRPJ-SJORKVTESA-N 434.562 1.184 30 10 IDEE CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585132200 MIDBTYDDDNNQNW-KRDZULTMSA-N 429.542 1.383 30 10 IDEE O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NCCN/C(O)=C1/N=CC=CC1=O 1585295859 HREOVLYHUUFMIN-MRCUWXFGSA-N 431.924 1.495 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2=O)cc1 1585465582 YFLSSUVPNVRPMV-MSOLQXFVSA-N 438.488 1.170 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](COC)OC 1587579370 FWKRKSQJMFERHY-WBVHZDCISA-N 435.550 1.315 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1589109796 KDJOAVVSFKYKBZ-UHFFFAOYSA-N 445.593 1.151 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594009510 LPYPYGZXEQQWCN-UHFFFAOYSA-N 439.582 1.293 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1 1595648497 DHMARXJYEUSEMH-OAHLLOKOSA-N 435.550 1.727 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1595784049 AQWZXHOPKFVVDM-KRWDZBQOSA-N 427.534 1.668 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCO[C@H](C)C1 1608453565 IYRUBFHJYZFSFH-HUUCEWRRSA-N 439.520 1.766 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC2(C1)OCCO2 1611658692 HSUHJIAJJWYPTK-QLFBSQMISA-N 426.543 1.170 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CC=CCO1 1611665408 XIAVYNSBGNHWGF-CRAIPNDOSA-N 430.534 1.741 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1611766977 FKKNPRZHJKQGBV-LAUBAEHRSA-N 444.561 1.802 30 10 IDEE CC1(C#N)CN(CC(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)C1 1617628370 SCDRTOVMHDYVKK-APSNUPSMSA-N 444.538 1.578 30 10 IDEE C#C[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 1628543672 XLYVDQQKEXJYJE-IMJJTQAJSA-N 439.331 1.275 30 10 IDEE C[C@](C#N)(NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CCCCC1 1629385279 PSNCYOUJIBCVNF-GOSISDBHSA-N 427.548 1.347 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)n1 1634602131 WZEQOIHKVLAAGR-UHFFFAOYSA-N 428.493 1.620 30 10 IDEE COc1ccc(C(=O)Nc2ccccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1637512927 KBXGUNSRUMMNJU-UHFFFAOYSA-N 445.435 1.779 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)c2ccccn2)CC1 1639067866 DBPRIVMNOZKXGD-FQEVSTJZSA-N 441.557 1.203 30 10 IDEE CCCn1c(Cn2cc(C#N)ccc2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1641190081 CUEPLZIKSVLDDD-UHFFFAOYSA-N 441.513 1.549 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C#N)cc3Br)cn2)CC1 1642235421 IFVQPVGNGNQQSS-UHFFFAOYSA-N 437.323 1.936 30 10 IDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1652328736 NVUAZFDOSKIIGC-QGZVFWFLSA-N 429.502 1.852 30 10 IDEE COc1ccccc1N1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1653653557 SKJMBYHTFBVKCH-QGZVFWFLSA-N 442.541 1.973 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)CC1 1660434687 QUCLRUUFGVOYFP-XMSQKQJNSA-N 437.585 1.030 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1683513355 FATXWGVXMDSAQE-GOSISDBHSA-N 429.498 1.951 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C3CCC3)[C@H]3CCOC3)CC2)cc1 1684689743 PUJSIHGFOZXJLZ-AZUAARDMSA-N 432.546 1.779 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 1685120516 OKGHVNFBGSUUBF-UHFFFAOYSA-N 427.530 1.821 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1689924919 ZDLVMRDQYXVULN-UHFFFAOYSA-N 438.580 1.663 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1689948721 DGBASJSSKHKTJX-JOCHJYFZSA-N 444.536 1.254 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCS(=O)(=O)C1 1689980177 NHDPHUCFSOIZBE-MRXNPFEDSA-N 442.607 1.027 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCC)CC1 1690140351 WFMKLJKCQUZXHT-UHFFFAOYSA-N 425.489 1.676 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1690256667 RSEYNJZQDPJGET-AWEZNQCLSA-N 435.554 1.830 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1690319207 GIYKGZSZGGXNKY-HXUWFJFHSA-N 438.532 1.842 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCN(CC)CC)CC1 1690375972 ZCFRTOPZGOBFMF-GOSISDBHSA-N 440.614 1.499 30 10 IDEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O)C1CC1 1690545237 MGBCFUOJPMSVAA-SFHVURJKSA-N 433.534 1.885 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1690669373 CGUJBJMYCNNJCR-KRWDZBQOSA-N 439.476 1.609 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(C)(C)C)C1 1690674883 JAWLRIOWICSCBX-INIZCTEOSA-N 446.577 1.823 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C2CCOCC2)C1 1690714798 VJQRMRGBYGXLCS-QGZVFWFLSA-N 439.582 1.270 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1705494528 BIYCGHRGIHGALH-BBWFWOEESA-N 437.541 1.706 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@]2(C)COCCO2)c1 1705508142 QLQCQZUKCUFTQL-XXBNENTESA-N 439.516 1.991 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705569350 CKCGHCXWJUHVIO-KSZLIROESA-N 438.594 1.545 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCOCC1 1705580211 FYRXXNSWYPHFDK-UHFFFAOYSA-N 425.489 1.664 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1705610907 JQHJGLUIFRZVJG-SFHVURJKSA-N 449.559 1.620 30 10 IDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 1705742672 BWKLVEREHVITLX-APWZRJJASA-N 444.561 1.920 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705899971 LWNTWNLSSMZPIZ-HOCLYGCPSA-N 429.525 1.925 30 10 IDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C)C2)cc1 1705910318 YXNQBNPBWJARSF-CVEARBPZSA-N 435.550 1.727 30 10 IDEE C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1706735430 GPOHQUAKZIQGGA-FLEPBTTGSA-N 439.476 1.546 30 10 IDEE CN(c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1711031785 RTPZHSQVGWBHIG-UHFFFAOYSA-N 442.505 1.108 30 10 IDEE COc1ccccc1Cc1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(C#N)o1 1711971937 IYSJIBVVCVDIEZ-UHFFFAOYSA-N 444.517 1.376 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2CCC(=O)N2)CCO1 1712882693 FUSUYPABLPXWEH-OLZOCXBDSA-N 449.284 1.854 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722363407 SNBGWPCFBCTWIF-DJPFJPOOSA-N 430.530 1.112 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722365500 FBFOMZCXDUDGRZ-OWCLPIDISA-N 444.504 1.223 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1COCCO1 1722409382 ADDCZYZZVFCVML-INIZCTEOSA-N 432.550 1.503 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1722696794 BDGMUNINZGKOGD-SFHVURJKSA-N 443.458 1.837 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722725780 RMUZBKPDJDPNQO-OAQYLSRUSA-N 446.577 1.242 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722770461 LBFBFPIDOMWTQR-IBGZPJMESA-N 435.532 1.790 30 10 IDEE CC[S@](=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729231058 JGDDWTODYNXCFO-YSVRNHBLSA-N 448.549 1.306 30 10 IDEE CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1730354458 ALFHKUHBQUHKOV-NJDAHSKKSA-N 438.532 1.973 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C(=O)OC)CC1 1730875730 MCELWSYGULLESC-WBVHZDCISA-N 436.513 1.209 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1740552797 PFBWINZZNBIGRO-APWZRJJASA-N 443.573 1.826 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)CCOC)c1 1740564413 MHDRLANAWJZNGK-JPYJTQIMSA-N 441.532 1.626 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740616944 JMFDKBDEVKAWEC-HNNXBMFYSA-N 443.451 1.598 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740619945 BAHKGDNNPLIQEW-QUCCMNQESA-N 442.589 1.699 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1740622218 WFIZIDSQLWTOKZ-INIZCTEOSA-N 430.530 1.617 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1740628967 XOCRPPUAMYOFNR-VQTJNVASSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCO)c(OC)c1 1740629417 MTAAJQZWXMEGRU-UHFFFAOYSA-N 437.500 1.015 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1740640732 VABFGEVYDORJKD-LJQANCHMSA-N 434.562 1.086 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1740672090 WLOPLSNKUBFBSF-LJQANCHMSA-N 446.577 1.185 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740761854 ZHQCQZIWPJOTEI-JENIJYKNSA-N 425.599 1.928 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740793526 SGRHJVOZELGZAD-KRWDZBQOSA-N 434.566 1.711 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740868369 JVKXNOGWMQDBOQ-WMLDXEAASA-N 436.586 1.904 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740958757 UHIQOIBASUSLJG-SFHVURJKSA-N 430.553 1.803 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H](C)OC)CCOC1 1746728969 QCLXMLUTDNHBSK-JTSKRJEESA-N 441.536 1.558 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC 1748647159 JRDJJZVVGVYKAH-CQSZACIVSA-N 431.566 1.483 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(c2ccccc2F)C1 1748790269 HUVFLOKJCXLIQN-IAGOWNOFSA-N 431.537 1.915 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748809332 SERRRCSDBFDYKJ-UZLBHIALSA-N 434.518 1.279 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748821685 SPERZRBMGSWVAQ-RTBURBONSA-N 446.577 1.191 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1748956492 FEAULTFZULDHAM-UHFFFAOYSA-N 435.532 1.067 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC(F)F)CC1 1748987386 WFPYOJYNBMTHJC-UHFFFAOYSA-N 440.458 1.578 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)[C@H](C)CCC)CC1 1749286948 VTVGMSYVMFFPAB-HZPDHXFCSA-N 426.587 1.597 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1749612502 FLWFTVAXRRAKDN-AVRDEDQJSA-N 429.521 1.990 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749668729 DKACEVKUUANECY-GOSISDBHSA-N 438.532 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCOC1 1760121364 VBQRNACKCQBTPO-GBXCKJPGSA-N 438.576 1.252 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760145270 LLOASQXNACIHDC-KRWDZBQOSA-N 433.582 1.723 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1760188761 MLADYKNXWJFFTQ-HNNXBMFYSA-N 443.558 1.483 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760191132 BGLHRXRFVKYFIF-MOPGFXCFSA-N 434.537 1.675 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F 1760237311 FLCKFFRTMOXUAQ-UHFFFAOYSA-N 428.440 1.408 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1760557902 ZTHYDCANMLWUAL-UHFFFAOYSA-N 425.599 1.963 30 10 IDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1760567473 CNYKDCCCYNXXCJ-UHFFFAOYSA-N 436.607 1.848 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1760692573 BNLPEBXVBUWEML-CVEARBPZSA-N 442.611 1.147 30 10 IDEE C[C@@H]1OCC[C@@]12CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)CCO2 1763274489 LVGKVRAMERWVTO-YRMGEYFPSA-N 444.536 1.486 30 10 IDEE CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CC1(C)C 1767526191 HVZRCWHGEBVCGJ-HSZRJFAPSA-N 442.612 1.670 30 10 IDEE Cn1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)F)C2)n1 1767534049 CZPRRFMBUZDRPQ-AWEZNQCLSA-N 429.435 1.782 30 10 IDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCO[C@H]1C 1767934515 GNUMAEUJDLHNRE-KSFYIVLOSA-N 444.511 1.692 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1768998472 WRTYYQQRBULWSO-CQSZACIVSA-N 439.314 1.174 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCO1 1770009026 LJLKMIGSJQYQCX-PBHICJAKSA-N 428.493 1.716 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 1852748880 NXPKONDRGFKGOB-JOCHJYFZSA-N 449.532 1.899 30 10 IDEE CN1CCN(c2nc(NC(=O)c3ccc(-n4ncc(C#N)c4C(F)(F)F)cc3)n[nH]2)CC1 1852950431 DUOOMZTXPJAIRE-UHFFFAOYSA-N 445.409 1.885 30 10 IDEE CN1C[C@@H](CO[C@H](COc2ccccc2C#N)CS(=O)(=O)c2ccccc2)OCC1=O 1853360674 DGXUNEYJCSIYFK-RBUKOAKNSA-N 444.509 1.653 30 10 IDEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c(O)c2)c1 1862700899 REMYCELIKSKEQL-LJQANCHMSA-N 426.425 1.821 30 10 IDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622191 DPGVFOKGDJCTMH-UHFFFAOYSA-N 439.520 1.667 30 10 IDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)NC[C@@H]2CCCO2)sc2c1CCC2 1872649955 VQJIAXYSWQZWSW-NSHDSACASA-N 431.474 1.347 30 10 IDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccc1C(=O)O 1874295145 MJTYPXLSOCRQTR-UFFVCSGVSA-N 440.441 1.935 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)NC[C@@H]2CN3CCN2CC3)[C@@H]1c1ccc(C#N)cc1 1889363062 ALBBPMOZMPDXOX-GIVPXCGWSA-N 427.574 1.068 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](N(C)S(C)(=O)=O)C3)n[nH]2)c1C 1891813623 ZDEBDXJFYAUQNJ-MRXNPFEDSA-N 434.566 1.962 30 10 IDEE C[C@H](C#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)NC(=O)OC(C)(C)C 1902007666 TYLPWMMTRFKNKF-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE C[C@H](C#CC(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902015394 YPHSNQMJDDBMNB-QKPAOTATSA-N 425.526 1.683 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@H](CO)C1 2018265548 AZPIKZWUJIYFIY-PWHSHALESA-N 428.533 1.889 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2064130310 MIYBPGQTNBDOHX-ARFHVFGLSA-N 440.346 1.268 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)COC1 2124540988 NPQPILZHFLZIFD-UHFFFAOYSA-N 446.353 1.938 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(NC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2247953076 RJFMZOMAURLADY-UHFFFAOYSA-N 434.245 1.037 30 10 IDEE CC(C)(C)OC(=O)NO[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2248433825 QZDPKUVGVUIYHE-LLVKDONJSA-N 440.331 1.433 30 10 IDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CC(NC(=O)OC(C)(C)C)C1 2255653371 HYNZOVMDDSCIGK-UHFFFAOYSA-N 434.346 1.847 30 10 IDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255813384 OROOORPGAZNDLT-UHFFFAOYSA-N 426.326 1.450 30 10 IDEE Cn1nc(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255839041 PGPUCKFRANEMFJ-UHFFFAOYSA-N 436.318 1.344 30 10 IDEE COC[C@]1(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 2256624367 WBODFXOGGWWWRF-NRFANRHFSA-N 440.346 1.943 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 2267183175 MAEQOGREEQTGKF-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE C[C@@H]1C[C@@H](CNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2267266474 PUEAMTOWMZWGGZ-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2267606872 FDSVAEXUALGHGB-AEFFLSMTSA-N 446.353 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267879009 DRDPIVDFNOLCMP-AWEZNQCLSA-N 448.329 1.142 30 10 IDEE Cn1nc(C(=O)N2CCCC[C@@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037312 UEFZIATVUVUXSY-GFCCVEGCSA-N 425.722 1.740 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2298374715 JUFNKBBRORKWRR-MJBXVCDLSA-N 426.319 1.070 30 10 IDEE COC(=O)C1=C/C(=C2\N/C(=C3\C=CC=CC3=O)NN2c2ccc(C(=O)O)cc2)C(=O)C=C1 222129881 PGLQINZEMMRJTR-ISPAOBMBSA-N 431.404 1.656 30 10 IDEE in-vitro CC1(C)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCS1(=O)=O 464859615 OQEGXNOGWOLQBU-MRXNPFEDSA-N 448.589 1.865 30 10 IDEE CC(C)(C)NC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2cccc(C#N)c2)c1=O 514521451 UIABIPVUNXTXCW-UHFFFAOYSA-N 425.554 1.921 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 535137501 NPHHEDIEXMNHNE-AWEZNQCLSA-N 449.935 1.911 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 543146691 QAVMXEQCJCROAV-UHFFFAOYSA-N 427.555 1.595 30 10 IDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CCN(CC(F)(F)F)CC1 558567138 RVIZEIUPPPUZRI-ZDUSSCGKSA-N 432.468 1.616 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 570828488 LHRPFAOMRGGWDB-KRWDZBQOSA-N 425.489 1.935 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1CC(N)=O 572678124 PRZWVVFDXOZMLD-UHFFFAOYSA-N 442.497 1.016 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C[C@@H]1CCCO1 609220586 XNSYYLOSROTDLW-KRWDZBQOSA-N 443.544 1.956 30 10 IDEE CCn1nc2c(cc1=O)CN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)CC2 611430079 YAKDKNCQOGXUBB-GOSISDBHSA-N 426.546 1.092 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 618873103 NONKODJYSFJDDQ-CABCVRRESA-N 441.509 1.659 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 634027265 RCMKXXSEKQYBKH-UHFFFAOYSA-N 432.468 1.581 30 10 IDEE C=CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2cccc3cnccc23)c1=O 679924152 PXMVMMWCTVYTIL-UHFFFAOYSA-N 435.549 1.985 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 731860946 BIEUVUJZTHZKHZ-VZCXRCSSSA-N 446.529 1.426 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ncn(Cc2cccc(Br)c2)n1 742247862 DDJIDIBUMQNIRM-WUKNDPDISA-N 445.277 1.944 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 746638555 QFRGUTJOGNFHTO-LLVKDONJSA-N 437.293 1.168 30 10 IDEE C#CCN(CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 749284122 NXHVIJXTJWCVIU-UNMCSNQZSA-N 447.601 1.461 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@@H](O)c3ccco3)C2=O)cc1 753737087 DKALAFWYQJDZFR-HSALFYBXSA-N 438.484 1.786 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccnc(O)c2C1 757648769 UQLITNFIEABEES-QGZVFWFLSA-N 428.514 1.825 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCC2(C)OCCO2)C1=O 758863888 FBOSTPAGRVJUJW-QGZVFWFLSA-N 434.562 1.839 30 10 IDEE CCOC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 769744113 GWDCTNDJLTYWON-ZBFHGGJFSA-N 429.502 1.857 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ncccc2S(C)(=O)=O)C1=O 782853668 UIBPWIIAFKMSJS-OAHLLOKOSA-N 432.527 1.753 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 788207385 XTYXTJQPFJRELU-IRXDYDNUSA-N 433.530 1.490 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793467750 GDMKZMCCLVIBJH-UHFFFAOYSA-N 444.516 1.737 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 814664421 RQTODRVVNBYCQZ-SFHVURJKSA-N 435.569 1.000 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CC2CS(=O)(=O)C2)c1 1125175821 LOWNIVUAYJLAOK-JZJYNLBNSA-N 427.548 1.653 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C#N)s2)o1 1129865757 ZYPSYRSYWXGAAL-AWEZNQCLSA-N 437.499 1.859 30 10 IDEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1143852947 NPLWHNVCMYMAPG-GFCCVEGCSA-N 439.490 1.522 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)c1ncon1 1143957169 FVYRPDMNFGXSMJ-QGZVFWFLSA-N 439.497 1.989 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2nnc3ccc(Br)cn23)cc1 1158437783 FBLKEOLOEMTNBS-UHFFFAOYSA-N 434.275 1.917 30 10 IDEE COCCn1c(N)c(N(Cc2ccccc2)C[C@H](O)CC2(C#N)CCC2)c(O)nc1=O 1167742064 WQOOUWVWUSDXKN-QGZVFWFLSA-N 427.505 1.629 30 10 IDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CSc4ccc(Br)cc43)C2)c(=O)nc1O 1227557375 NVLMJBXBMDBTCJ-ZDUSSCGKSA-N 448.302 1.996 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1286401371 QLPNGFNRTIZORY-DEOSSOPVSA-N 435.528 1.753 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1286462828 XJGQQZPOQBRQCR-UHFFFAOYSA-N 444.517 1.115 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2F)CC1 1286481771 XIBMJUIGJBFWQP-QGZVFWFLSA-N 447.536 1.131 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286504841 UVHWIHDFZUPINE-GOSISDBHSA-N 428.562 1.478 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(N2CCOCC2)n1 1286773152 IRSJIFQCARGNSK-GOSISDBHSA-N 428.537 1.701 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286819812 WRWLKIVKBYYWEX-OAQYLSRUSA-N 437.610 1.838 30 10 IDEE CCn1nc(C(F)(F)F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C(F)F 1289205120 MMOBOHAUSARKBP-RTHLEPHNSA-N 426.367 1.870 30 10 IDEE N#Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2n1CCOC2 1289684144 RGHTUDQBYZBMOS-ZDUSSCGKSA-N 433.465 1.463 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1291268335 UTADIZUFLIIPEI-DNTCVELPSA-N 439.545 1.732 30 10 IDEE CCN1CCN(CCCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1296210864 JAPCHJSBCJWMJM-LJQANCHMSA-N 429.594 1.687 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300485087 WPZXCPZLFYUMQP-DYESRHJHSA-N 436.578 1.746 30 10 IDEE C#CCN(CC#CC)c1nnc(COCC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300596178 VBLREWRLMSXLRA-QGZVFWFLSA-N 427.471 1.931 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(C)CN(C)C2=O)CC1 1300707836 LGTKGUXICDLDDO-DEOSSOPVSA-N 436.560 1.707 30 10 IDEE C=C(C)Cn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300965545 SUIMFDKMAOFHQW-HSZRJFAPSA-N 447.580 1.970 30 10 IDEE C=CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1301474070 SMITWPFXARTZJG-HTAPYJJXSA-N 438.536 1.881 30 10 IDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1301708734 AXZBTRZGWSDQNM-SFHVURJKSA-N 433.534 1.779 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1302361575 CUDZQNQZFDQSLY-SBUREZEXSA-N 441.532 1.981 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccccc3CN2C(=O)OC(C)(C)C)C1=O 1302506156 MCTRVIUYNLFMEX-UHFFFAOYSA-N 428.445 1.658 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1 1302921941 ZNDSDZKFAQWZCT-UHFFFAOYSA-N 438.962 1.618 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3OCC)CC2)cc1 1303534818 MMGGOQCDZQISJJ-UHFFFAOYSA-N 428.514 1.354 30 10 IDEE Cc1ccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c(=O)n1C 1304364233 NOSPXCXDOIALSC-FCHUYYIVSA-N 444.511 1.816 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(C)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304537925 VBDWGWBCIXFERM-XUTLUUPISA-N 435.488 1.058 30 10 IDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cs1 1304670993 UAZKBRSUXUTLRD-HXUWFJFHSA-N 439.549 1.917 30 10 IDEE Cc1nccn1CCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1304707659 NRCVMMUWXQNETA-RXVVDRJESA-N 429.525 1.643 30 10 IDEE N#Cc1c(CCCNC(=O)NC[C@@H]2CCN2C2CCOCC2)nn(-c2ccccc2)c1N 1313342388 XBZFWSUTHFKECR-IBGZPJMESA-N 437.548 1.811 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1358929529 BVQAMNIGCCKKTG-DLBZAZTESA-N 432.550 1.744 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCN(C)C1 1358949123 SUVDWCIHDMOGOB-QFIPXVFZSA-N 432.569 1.529 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)CC=C 1358954517 KLHDJXWPGKHPBF-IYBDPMFKSA-N 437.566 1.719 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1358963965 QOIBAMYHGSWWJE-SFHVURJKSA-N 445.589 1.549 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1358968713 WAVCEOCVGBMXQF-IBGZPJMESA-N 441.919 1.740 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](COC)OC 1358993286 JRTJTCHRCBFJLB-FQEVSTJZSA-N 437.548 1.576 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1359010140 HMGVFRNQDWDIRF-QAPCUYQASA-N 427.596 1.356 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1359164084 DRCSPBMEWXCVCK-HNNXBMFYSA-N 432.525 1.679 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1359164085 DRCSPBMEWXCVCK-OAHLLOKOSA-N 432.525 1.679 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1359216308 UCSCXJDWOVUEKK-QGZVFWFLSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359298419 YYADDDURMICCBU-UHFFFAOYSA-N 434.504 1.001 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](OCCOC)C1 1359300467 CJNXSUQLJLMYAU-LPHOPBHVSA-N 443.504 1.335 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359302486 JAYMMDUSWLQBRN-OAHLLOKOSA-N 437.470 1.639 30 10 IDEE CC(C)(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359529334 PYVJGGDCQJCPAZ-VXPUYCOJSA-N 443.552 1.485 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)s1 1444210360 OXOZYKHINNWLFF-QGZVFWFLSA-N 433.555 1.985 30 10 IDEE C[C@@H](CC(=O)Nc1cccc2c1CCN(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 1453559638 AOWDUUDJMXDWEU-ZDUSSCGKSA-N 426.498 1.771 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)cc1 1454116321 KEAKELVYUGRPCW-OAQYLSRUSA-N 440.569 1.144 30 10 IDEE C#CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 1455183324 LALFHKVQCJLCJF-UHFFFAOYSA-N 429.336 1.494 30 10 IDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCOCC1 1460800733 JRVDWFNUYLZJPH-UHFFFAOYSA-N 445.585 1.170 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNC(=O)c1ccccc1F 1465563005 DWVOPRLSIPDIDW-CQSZACIVSA-N 432.477 1.300 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)c1 1471232082 TYEHLZSJYVACFB-JOCHJYFZSA-N 441.553 1.799 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C[C@H]1C2 1471254457 IGCFORCCCBXPBY-FBSOPKPWSA-N 438.550 1.354 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)cc1 1472273610 KKJOCQUCEJXIQB-NGEICVOHSA-N 436.555 1.545 30 10 IDEE N#CCCN1CCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1 1475596606 GPKDKNUOUKHGDW-UHFFFAOYSA-N 427.324 1.554 30 10 IDEE CCN1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1502352700 LLDGQZKFTSDXOX-NRFANRHFSA-N 438.580 1.410 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1507715396 AATKKUSZGRXNSW-GOSISDBHSA-N 445.527 1.782 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CC(OCC)C2)CC1 1507721282 ZRIMUYIFVKDTHP-ZUEZHPSSSA-N 447.580 1.004 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)CC1 1507729942 LYMJBQIUBPYFHG-IBGZPJMESA-N 436.626 1.054 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507740514 AYKGSYWOPISMMS-OAHLLOKOSA-N 431.522 1.150 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508085297 GREMZXFBGXCMDZ-MRXNPFEDSA-N 439.438 1.947 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1508091933 OJPBYQATZWNOKJ-IRXDYDNUSA-N 438.444 1.145 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)OC)C1 1508106433 YCLRNVQPXLYSBM-SJORKVTESA-N 425.489 1.842 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC[C@H]2C)C1 1508117427 UFGLXGILJMBKSF-VIZSFHNOSA-N 449.596 1.821 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(CCC)C(=O)C1 1508135681 LFMTWUOPKBNZQN-UHFFFAOYSA-N 431.562 1.995 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C[C@H]1N1CCOCC1 1512420153 NBDUZJINUHEBKD-YLJYHZDGSA-N 437.548 1.452 30 10 IDEE CC[C@H](C)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1513112336 HVOFRJJIMIORNV-CVTQAYBASA-N 429.525 1.409 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1513201424 YICUOEDBPZCFJW-QGZVFWFLSA-N 448.531 1.890 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCNc2ccccn2)CCOC1 1516219786 DOSMTXNZAXQCHU-UTKZUKDTSA-N 427.509 1.556 30 10 IDEE CN(C)CCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CC1 1517013908 BDDGWQQNNDNLPN-UHFFFAOYSA-N 442.612 1.414 30 10 IDEE C[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1527484830 JXNGADAIGZOOFV-NVXWUHKLSA-N 443.504 1.401 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)c1 1535906132 WRWOEVNZZKACQP-UHFFFAOYSA-N 427.464 1.589 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539258207 UFKXQBLAYTWHJR-KRWDZBQOSA-N 433.438 1.461 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1539506272 IZNYLBNNXTVMBQ-SFHVURJKSA-N 445.545 1.280 30 10 IDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539947428 MDBICNMOAGHHTF-QGZVFWFLSA-N 443.552 1.637 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1540004701 DSYXVMWMDKTTIZ-QRVBRYPASA-N 437.610 1.693 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F)C1CC1 1540107399 AOCYHLDBSNOEOY-GOSISDBHSA-N 435.525 1.953 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC2)cc1 1540647866 LPOHPTRVIDYFAI-ZDUSSCGKSA-N 440.736 1.512 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC)[C@H](CC)C1 1540867797 IGBDYHTXAYFLQA-QGZVFWFLSA-N 430.528 1.933 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1540869293 IDVOONMZAWZKAN-OAHLLOKOSA-N 428.493 1.185 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1540902262 FIMCIWKYLGGDNB-SFHVURJKSA-N 447.561 1.379 30 10 IDEE Cc1ccc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)o1 1542374704 UMGNCMMKQGJHOZ-UHFFFAOYSA-N 444.517 1.816 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(N3CCN(C)CC3)c2)s1 1542527107 SETBPTAXUZPGRZ-UHFFFAOYSA-N 449.602 1.218 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4CCOCC4)o3)CC2)cc1 1543120495 AOVVMDQKFUUAEC-UHFFFAOYSA-N 444.513 1.130 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCNC(=O)c1cc[nH]n1 1543310737 GGBQAXBPOUJNAL-UHFFFAOYSA-N 439.911 1.591 30 10 IDEE C=CCN(C(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12)[C@H]1CCS(=O)(=O)C1 1543486953 ARFWFMXBKCKXCR-HNNXBMFYSA-N 443.481 1.808 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)F)c2ccccc2c1=O 1554364581 CSCDTHWLDSMGAD-CYBMUJFWSA-N 445.430 1.550 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)CC1 1558073041 JUJBYKGVVXMQPD-GOSISDBHSA-N 428.558 1.940 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCSC[C@H]1c1cnn(C)c1 1558592802 LFGOXFAGMVSOHT-KSSFIOAISA-N 433.559 1.665 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@H]3C[C@H](NC(=O)OC(C)(C)C)CCO3)CC2)CC1 1559906945 BZQUDPHSCLHFBB-NHCUHLMSSA-N 448.608 1.548 30 10 IDEE C[C@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 1563619195 IFWUSQNTXKMXQT-AWEZNQCLSA-N 431.493 1.938 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1587909783 SYAWPVLZHRGEFB-INIZCTEOSA-N 427.534 1.251 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cc4ccccc4c(O)n3)CC2)cc1 1588157629 DRZPFAHGORBHLH-UHFFFAOYSA-N 436.493 1.888 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1588224093 OZDFSMMSONYCGZ-YADHBBJMSA-N 446.555 1.307 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1593747433 WDIZQEFBNDBLKG-HZPDHXFCSA-N 426.539 1.162 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1593768259 CJLGXNVCZKWMOP-DYESRHJHSA-N 434.541 1.125 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1594813481 UFVVSYWRJRNKHF-MOPGFXCFSA-N 437.610 1.838 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CC(N)=O)CC1 1595490329 PXFWXLDRFTULBU-UHFFFAOYSA-N 448.531 1.729 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595544822 MGPCZZUUNXDPAE-UTKZUKDTSA-N 429.525 1.307 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](CC(N)=O)C1 1595550659 GQKVQDOQSOXRJP-QAPCUYQASA-N 440.504 1.185 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)C1 1595674194 NTNPEDLOOAZJRO-BBRMVZONSA-N 441.504 1.996 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)COCCO1 1619913442 CTVLJWDFKMFMFH-JOCHJYFZSA-N 439.520 1.689 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C1 1620053451 MCYADPAUXAXCSJ-HXUWFJFHSA-N 441.532 1.990 30 10 IDEE N#Cc1ccc(CN2CCN(c3nnc(-c4ccccn4)n3CCOCCCO)CC2)cc1 1620350497 GTGFGKNYFSPVQY-UHFFFAOYSA-N 447.543 1.933 30 10 IDEE Cc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1N1C(=O)CNC1=O 1623313135 ORPXJUYPNQJKTQ-UHFFFAOYSA-N 430.417 1.740 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)c1 1635119672 VSHQDZCPDNIPHI-SFHVURJKSA-N 425.466 1.997 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)c1 1635279690 HHCZODVXJMAKGA-UHFFFAOYSA-N 439.534 1.211 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 1635838877 YTEGIPWPXGCBEP-INIZCTEOSA-N 431.466 1.382 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCNC(=O)OCc2ccccc2)ccc1F 1640825965 JWCHGNKYJXMFCL-UHFFFAOYSA-N 435.477 1.946 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)cc1 1642570825 DKCOAWKSFJSYPQ-KRWDZBQOSA-N 425.470 1.136 30 10 IDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)CSCC#N)CC[C@@H]32)CC1 1642785441 QEQZGIBQBACPIR-HOTGVXAUSA-N 437.566 1.637 30 10 IDEE Cc1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 1644005381 CHWWBUNTCJKBDJ-IYBDPMFKSA-N 444.513 1.465 30 10 IDEE C#CCN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789667 KMMATLCCXOTWGJ-RBUKOAKNSA-N 442.516 1.819 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c3ccncc3)n[nH]2)c1C 1648266324 IILKSXUURSWWTK-UXHICEINSA-N 438.488 1.866 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12CCCC[C@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1653964787 VWXPFPDXUDAAEQ-YCRPNKLZSA-N 431.493 1.364 30 10 IDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1664764354 HJUSDHBQOKMLTQ-IXDOHACOSA-N 428.576 1.670 30 10 IDEE N#Cc1ncn(CCNC(=O)N2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)n1 1672542514 NSQPUEQNPDUQMV-KGLIPLIRSA-N 427.431 1.515 30 10 IDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 1676356042 BFTGBAROHBCYOP-KRWDZBQOSA-N 449.577 1.290 30 10 IDEE C#CCSCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1677865936 OBQYKTRHNPMADK-CQSZACIVSA-N 443.310 1.840 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689860600 DIBSCFUDYQYXAW-HZPDHXFCSA-N 444.561 1.222 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1689936834 GCFWIUOFRBMRPU-KRWDZBQOSA-N 440.552 1.643 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1689937194 RSCDZHIHOYSAFJ-UHFFFAOYSA-N 438.507 1.915 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689937217 SFWNDTWHTHMSHH-QFIPXVFZSA-N 438.536 1.368 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)N(C)Cc2ccccc2)CC1 1690122403 PUAVEGLZVCIWRF-IRLDBZIGSA-N 449.603 1.895 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690169600 IBMUOSCPPHCACS-SFHVURJKSA-N 427.578 1.650 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC(C)(C)C2)C1 1690688713 ZOTZECZYFWTPEY-AUSIDOKSSA-N 449.596 1.822 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCN(C(C)C)CC2)C1 1690697595 YNFGGXLZSSEQTC-SFHVURJKSA-N 427.553 1.752 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1690714372 LGZZJTIPWCUSGO-INIZCTEOSA-N 449.581 1.264 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690724782 WHSIBWYIBKAKMT-KXBFYZLASA-N 425.555 1.083 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698485658 ALJAIKIJIFEZLQ-CILBIJLJSA-N 436.451 1.232 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705510165 UGPJBFYJMWXDFB-INIZCTEOSA-N 429.546 1.819 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705524527 NNMMQBXDEZGQSG-FOIQADDNSA-N 435.525 1.539 30 10 IDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCOCCS(C)(=O)=O 1705544426 PVOTZNQARCYBQM-UHFFFAOYSA-N 428.518 1.466 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CC(F)(F)F 1705581048 SDZXUFCLPQBEFG-UHFFFAOYSA-N 436.438 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705647727 IYVOPNLCOZNPJA-KRWDZBQOSA-N 449.621 1.657 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1705885913 CACCOUGMQMTFPB-IEBWSBKVSA-N 435.569 1.694 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1706067889 AOCAEDBFGSDCCK-HNNXBMFYSA-N 446.533 1.787 30 10 IDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS(=O)(=O)C1 1706108706 MAHGKCBWCNWPMS-AWEZNQCLSA-N 444.561 1.935 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1C 1707521718 AYMACJYWNFIIMB-PGRDOPGGSA-N 440.504 1.682 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1708758369 ZJBFGYRYDMBFAF-RDJZCZTQSA-N 432.525 1.468 30 10 IDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1709017659 SDQOKNPMPULZFX-LFRPXUGBSA-N 447.515 1.797 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCOC[C@H]2OC)c1 1722307394 NBRBUXINURLLJU-AZUAARDMSA-N 441.532 1.922 30 10 IDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722317405 FQXQZBNLMYUTMN-HXUWFJFHSA-N 439.564 1.771 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 1722333701 YCCBKGYGWSOAKZ-HOTGVXAUSA-N 427.596 1.356 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCCC)c1 1722371116 UCDMIYIZWGECHC-UHFFFAOYSA-N 432.528 1.775 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NCCC 1722393285 YLYGNVHFZVUHHO-UHFFFAOYSA-N 431.504 1.300 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1722449330 ULRLFTWJTAUFGA-JKSUJKDBSA-N 434.541 1.619 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722535423 HSRRMOPSTQOKDW-SFHVURJKSA-N 436.582 1.746 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722695245 XTJVRVAOSQXBRD-GOEBONIOSA-N 429.477 1.216 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722695591 IXTFDUHQFDMBIL-HNNXBMFYSA-N 444.927 1.336 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722698715 KVPDCKYXZJOWGF-IAGOWNOFSA-N 448.568 1.920 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728957735 DBJCGIQRRAERDR-YLEKHRKWSA-N 430.509 1.661 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N[C@H](C)CC 1729034155 RTLIKPNOLKIYFN-CQSZACIVSA-N 427.509 1.654 30 10 IDEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1730314706 AQEJIYMSKXCBJW-UHFFFAOYSA-N 448.549 1.545 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1740652208 VAEAOFCYJQPCDH-LNVKXUELSA-N 439.479 1.806 30 10 IDEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1740722459 FJBWPRLUVJVRFK-XMSQKQJNSA-N 449.621 1.990 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1740921533 XZSISTQJIBRMIC-MAUKXSAKSA-N 447.536 1.996 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1740957903 DBFHFBFOVUEJMP-SFHVURJKSA-N 440.552 1.261 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)CCOC1 1741732805 QEGPIXXRVMAEJM-DYESRHJHSA-N 432.525 1.106 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748635731 WQOCWMKKPQQTCW-IBGZPJMESA-N 449.559 1.321 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1748757464 CTKAPNLSESUUHQ-QZTJIDSGSA-N 430.553 1.181 30 10 IDEE C#CCN(c1nnc(C)n1CC1(c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748804628 JNYAZMTUJYVHDS-HXUWFJFHSA-N 428.558 1.962 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)cc1 1748825324 VAPSKMGBQJEQTE-UHFFFAOYSA-N 441.495 1.737 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1748925260 FULJBCGLEIGZCY-GOSISDBHSA-N 429.546 1.298 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1749368162 CJWODPUEPBWKGW-IRXDYDNUSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749670044 NWIOVVUIBZKBGR-SJORKVTESA-N 426.525 1.186 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1749670626 ULXJIJGVCMLLHT-UHFFFAOYSA-N 428.459 1.743 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1749676906 HNHRMAAVTNPULU-UHFFFAOYSA-N 427.553 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749724002 FOVJFOONGIZOFC-GOSISDBHSA-N 445.545 1.749 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cnn(C)c1 1749724190 IPUWGEFLUPEPAB-UHFFFAOYSA-N 430.534 1.924 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 1749734993 PBQRQSLUHPCMQH-JKSUJKDBSA-N 444.623 1.653 30 10 IDEE C=CCSCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1749763563 BUIPXCFJXNNMIL-OAQYLSRUSA-N 447.609 1.910 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1760190550 XNTHWGHEPPQUBA-HNNXBMFYSA-N 441.517 1.269 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760191348 FYDJCZDVKBXYKL-RBUKOAKNSA-N 445.589 1.742 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1760191807 NSKNQHRQQGVQGG-KRWDZBQOSA-N 430.530 1.051 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1760198010 UFQCTTHXXDYJQJ-UHFFFAOYSA-N 433.559 1.298 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1760232589 IUAMMTBDOIXYRV-HSZRJFAPSA-N 433.516 1.613 30 10 IDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1760381339 IXCOMYCRAFINQP-NRFANRHFSA-N 434.610 1.781 30 10 IDEE C=CCOc1ccc(Cn2c(N3CCNC(=O)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 1760531081 BXLISFBXEQVTHR-QHCPKHFHSA-N 441.532 1.868 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760548884 RJQUEIZFMPLHEO-GUDVDZBRSA-N 439.626 1.939 30 10 IDEE CC(C)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760939959 CEWWFGXGIKJSJO-KWEZKLGQSA-N 430.509 1.312 30 10 IDEE COc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)ccc1Cl 1768313189 WCMFLGMUQSTFKQ-OAHLLOKOSA-N 430.896 1.840 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1769066585 WJHFWAXBNXRSME-GOSISDBHSA-N 425.537 1.831 30 10 IDEE COCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1769588653 BIZWRBKAQIHZNL-DLBZAZTESA-N 437.566 1.506 30 10 IDEE C#C[C@H]1COCCN1C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1772511059 IRBNWQRMIOHYQF-LSDHHAIUSA-N 434.459 1.514 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1c(F)cccc1F)C1CC1 1772566409 YDPPYGCGQNKYCW-KRWDZBQOSA-N 430.459 1.979 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)c2cn([C@@H]3CCCN(C(=O)C(F)(F)F)C3)nn2)C1 1848824492 ZFWBHLGNQVVOAU-GFCCVEGCSA-N 449.393 1.174 30 10 IDEE C=CCN1C[C@@H](C(=O)NCCn2ccn3nc(-c4ccc(OCC)cc4)cc3c2=O)CC1=O 1852762912 NOTZIKWTKAVVCV-SFHVURJKSA-N 449.511 1.712 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cn2c(=O)oc3ccccc32)cc1 1853067414 TURQNVYOLAZWPX-IBGZPJMESA-N 437.452 1.789 30 10 IDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1855163193 JYRVDPMJIMTTOK-SFHVURJKSA-N 437.606 1.998 30 10 IDEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1=O 1856374029 JOWDMHGZQOWLAC-CYBMUJFWSA-N 445.328 1.341 30 10 IDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN(CCO)Cc1ccccc1 1870670543 AQODYTXROXCPNQ-UHFFFAOYSA-N 444.528 1.987 30 10 IDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873593314 NIKQFXQCQFHSSB-UHFFFAOYSA-N 449.563 1.415 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 1984792329 XUFHNZPGFMUMJO-UONOGXRCSA-N 425.482 1.436 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 2247570865 DEOMPXGNPPMBIY-RITMXGJUSA-N 437.537 1.781 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247953073 RPWPOUCHISJFEH-UHFFFAOYSA-N 440.371 1.930 30 10 IDEE C[C@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255644859 CTHMYIAEHDBOMX-QWRGUYRKSA-N 447.288 1.971 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H]2[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 2255694962 WQTKSGAPNGDNCQ-QLPKVWCKSA-N 431.342 1.919 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255699853 TXCIQSZUBZVSBS-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255828665 GHHXAQMACFUMKQ-KBPBESRZSA-N 436.318 1.073 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2255865423 HIWVIGOXTOEGOS-LSDHHAIUSA-N 430.314 1.610 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266995181 FLQHJZZXHCOPAC-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE CCc1nn(C)c(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267506944 GLXBUZLRCABGIW-UHFFFAOYSA-N 448.373 1.973 30 10 IDEE C#CC[C@@H](CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2286043077 TZVGQOHTHSSHQD-RBUKOAKNSA-N 436.530 1.766 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1F 2330748409 LVFHEALHGQMXDE-UHFFFAOYSA-N 430.465 1.937 30 10 IDEE CS(=O)(=O)C1(C#C[C@H](OCCN)c2ncc(I)s2)CC1 2367811689 KWKKDMYNUQMCNL-VIFPVBQESA-N 426.301 1.345 30 10 IDEE C#CCNC(=O)c1ccc2oc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nc2c1 247993608 LLWXNTIGMVJGFH-UHFFFAOYSA-N 442.472 1.841 30 10 IDEE COCc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)no1 409489759 ASKBBJLWLGDUEF-CYBMUJFWSA-N 432.380 1.869 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCCc2cc3c(OC)cc(OC)cc3[nH]2)CC1 441306031 IZYUWYKSBXHMRR-UHFFFAOYSA-N 443.548 1.747 30 10 IDEE C[C@@H]1CN(CCCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 443667344 HKZXIBSGCVGLGU-HLIPFELVSA-N 441.532 1.769 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(OCC)c2OC(F)F)CC1 465228288 XGAOJZIJOJSXNB-UHFFFAOYSA-N 426.464 1.816 30 10 IDEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 470746174 SCZYCXASXJZTFI-HXUWFJFHSA-N 433.493 1.645 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 502561558 QOAWKCVLLGWPHV-OAQYLSRUSA-N 446.529 1.653 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1 503645068 VWKQMLSGVDCFJZ-UHFFFAOYSA-N 432.527 1.425 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2=O)cc1 508290449 GRNUGAFTTGNZBZ-MOPGFXCFSA-N 425.489 1.133 30 10 IDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508480570 IGIPQLPSXAONPM-UHFFFAOYSA-N 437.504 1.569 30 10 IDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)cc1 512279263 MAKBUFNVQZOMTE-QGZVFWFLSA-N 445.545 1.666 30 10 IDEE C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 513963761 WQBGCNLJNLZGKC-INIZCTEOSA-N 429.498 1.351 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 514918165 SQLQXWWOMXNXEI-MRXNPFEDSA-N 429.517 1.503 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 516497607 SUPJRBDKLDNPSW-INIZCTEOSA-N 427.530 1.616 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)cc(C)c2C1 569053790 HWWCYQJQVWXEOP-SFHVURJKSA-N 435.525 1.807 30 10 IDEE CN1CCCN(C(=O)C(/C=C2\C(=O)ONN2c2ccccc2)=NC(=O)c2ccccc2)CC1 585673892 WZKXCIKTKBVIIR-WJOMSEQESA-N 447.495 1.799 30 10 IDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730140182 DNAPRTLNDRTATF-GOSISDBHSA-N 433.578 1.439 30 10 IDEE Cc1ccc(CNC(=O)C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1F 733889217 BKGKAFWCGCFVIP-XTQSDGFTSA-N 442.491 1.905 30 10 IDEE COc1ccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1C#N 746774743 BDHKGDSWDAOUQF-UHFFFAOYSA-N 439.497 1.543 30 10 IDEE Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 756039856 GUVATLIUUFMNGZ-RMYFCYLKSA-N 446.305 1.925 30 10 IDEE Cn1ncc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1C1CC1 770722436 CFXWHVYVPQFGAI-UHFFFAOYSA-N 435.444 1.704 30 10 IDEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCS(=O)(=O)C1 774171990 KLYCPKKUCUUPKW-BQFCYCMXSA-N 437.537 1.771 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2coc(-c3ccc(C(=O)OC)cc3)n2)C1=O 782329984 YGVANWSAHJJTAJ-UHFFFAOYSA-N 427.369 1.148 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)n1 788819364 IIEDMPRBLCJCNX-HNNXBMFYSA-N 442.545 1.566 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 804451917 ACKOVUMYOGMUKW-SFHVURJKSA-N 427.526 1.535 30 10 IDEE CC#CCS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 810778024 UVIDPLLEZAZKEG-AWEZNQCLSA-N 449.348 1.072 30 10 IDEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C#N)n(CCc2ccccn2)c1=O 814250065 GMGJEUPRNNXONO-UHFFFAOYSA-N 438.516 1.975 30 10 IDEE C#CCN(C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 918755634 FOVNVJLHTAIJFX-HNNXBMFYSA-N 438.962 1.970 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(NN=C(C)c3ccccc3O)n2N)cc1 1084010302 HAZJMCHRARZUAW-UHFFFAOYSA-N 441.517 1.951 30 10 IDEE Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1135633346 RZRXUBKSQDQRGO-SFHVURJKSA-N 448.394 1.239 30 10 IDEE C=CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OCC 1138146583 SNLAVYLKRQFBIG-LLVKDONJSA-N 439.715 1.988 30 10 IDEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 1141968107 HRSFCFJIUPKCSG-QZTJIDSGSA-N 435.351 1.322 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1149220190 UUFMNIYLXKIHFU-UHFFFAOYSA-N 428.533 1.578 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1156254497 PDCPPNJXWZKQCX-HOTGVXAUSA-N 431.493 1.813 30 10 IDEE N#Cc1cccc(NC2CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])C2)c1 1163823726 PZYBYTAYFHIODZ-UHFFFAOYSA-N 443.485 1.788 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 1214623618 LWAJDBFXCQQBNF-UHFFFAOYSA-N 440.485 1.363 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(-c3ccc(OC)cc3)cs2)CC1 1223132666 KIWGIMOFWZIJTN-UHFFFAOYSA-N 448.570 1.719 30 10 IDEE Cc1ccc(NCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 1255737241 BVPNGHVQUHKDSG-UHFFFAOYSA-N 428.518 1.390 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1286452733 SSZKASMEWYUNPG-CYBMUJFWSA-N 426.930 1.475 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2COCCO2)n1 1286472461 YBDLRSBTWSDZIV-UYAOXDASSA-N 444.536 1.070 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nnc(CC)s2)CC1 1286492479 GSABZQRFXIXFBO-INIZCTEOSA-N 443.577 1.600 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286608251 ORWTUEKRTOUYRO-ROUUACIJSA-N 438.594 1.904 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@]1(OCC)CCOC1 1286793792 MFQAFJYHBHVFDJ-KBXCAEBGSA-N 437.451 1.753 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1286807463 PDEVVHKEPRZDRF-KNQAVFIVSA-N 446.573 1.508 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286819172 CDRFXDSKBJSEKC-SFHVURJKSA-N 446.577 1.602 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)[C@@H](C)C1 1286876250 JOPQEZYKNDZFKH-KXBFYZLASA-N 435.532 1.788 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C)c1ccccc1 1288559696 CESUHLUHMXSUBZ-SOLBZPMBSA-N 432.550 1.811 30 10 IDEE C#CCN(C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1291930295 ZQVLHHZJEFQEDZ-QGZVFWFLSA-N 439.965 1.347 30 10 IDEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1294269267 HKPIZTZOVOAYRB-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)cc1 1300295265 CGUQQTKEZYYHPR-LJQANCHMSA-N 443.504 1.526 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCc2c[nH]nc2C)CC1 1300683266 YQEIGPCEKDWLTN-UHFFFAOYSA-N 426.569 1.616 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCCC2)CC1 1300722400 JNFXKCDVVIDRIZ-SFHVURJKSA-N 441.580 1.069 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1300733053 HMPYPLVAZXSWHF-UHFFFAOYSA-N 442.549 1.143 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300830288 DTSABQAYRFGUFB-ZIAGYGMSSA-N 443.346 1.467 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1301502769 PCSRHMCRFMFYLU-UHFFFAOYSA-N 445.612 1.303 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301536378 VNQVFFYIQPWQNL-RTBURBONSA-N 427.505 1.694 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)CC1 1303008942 CVEOTFMURCRWPA-UHFFFAOYSA-N 439.545 1.982 30 10 IDEE CCCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1306658342 PKKSIGJYJWYAMV-ROUUACIJSA-N 426.525 1.701 30 10 IDEE CC(C)NS(=O)(=O)c1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1306892753 MCLXWSBIJBGKAV-UHFFFAOYSA-N 445.497 1.891 30 10 IDEE COc1cc(/C=C2\SC(=O)N(CCNC(=O)NCC#CCO)C2=O)cc(OC)c1OC 1313191520 REBSYEDKZOAIMY-VBKFSLOCSA-N 449.485 1.044 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358964658 DCJUIMKYGBSRHA-GHTZIAJQSA-N 431.562 1.442 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358965228 QMHUEJLCJQIHLI-INIZCTEOSA-N 443.558 1.099 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@@H]1C 1358971692 FSFZSPQBHHBQAT-SFHVURJKSA-N 425.558 1.906 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1358978792 UUWTYTBDLYJLJG-LEWJYISDSA-N 439.585 1.864 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1358985292 UYNNXRVWXKDOSA-OAHLLOKOSA-N 432.550 1.685 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1359008970 FEBKEBQDCBEQFM-KRWDZBQOSA-N 448.545 1.068 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnccc2OC)CC1 1359030804 GKRKXAREHHCKEB-JOCHJYFZSA-N 426.521 1.137 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1359294979 LAFLGSPDBUNWNQ-ZDUSSCGKSA-N 440.426 1.654 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccccc2)CC1 1359300980 OCUFRVWLNMNGPI-IBGZPJMESA-N 443.573 1.866 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCN(C)C(=O)C1 1359304203 QBGMFLQHHJAAMK-UHFFFAOYSA-N 440.548 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC[C@H]1C 1359327233 WFBRKTGUCMCBNX-CQSZACIVSA-N 436.563 1.468 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359329857 XCBVWGCZWQTUHT-KRWDZBQOSA-N 445.545 1.366 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)CCO1 1359447115 OSZZHPFULDEUKA-NRFANRHFSA-N 438.532 1.975 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1359471955 CNLCBMJGDHDOSM-MAUKXSAKSA-N 441.511 1.849 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc([C@H]2CCOC2)cn1 1360486874 HZZPWRZGWPXZSW-APWZRJJASA-N 448.531 1.917 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OCC 1438909638 VNQMVJBXESSRRN-QGZVFWFLSA-N 444.937 1.989 30 10 IDEE CC1=C(C)C(=O)N(CCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 1441629750 JFEAUNYQEPWQGZ-OQKWZONESA-N 432.502 1.533 30 10 IDEE O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)N[C@H]1CCN(O)C1=O 1450160704 FJBJRZFODQEZIT-QMMMGPOBSA-N 429.252 1.400 30 10 IDEE C#CC[C@@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1450531123 YFPJLBAARZMOMG-ZDUSSCGKSA-N 442.310 1.250 30 10 IDEE COCCN(CCOC)C1CN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1452736719 MDWVBBJWCPINJE-UHFFFAOYSA-N 426.311 1.505 30 10 IDEE O=C(CCOCC(F)(F)C(F)(F)F)NCc1cn(CC(F)(F)F)c(=O)nc1O 1455922720 ZZCRCFRFDHHVMK-UHFFFAOYSA-N 427.248 1.732 30 10 IDEE CN(C)CC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccnc1 1462931408 OBUZKIJRKZKUJN-PMACEKPBSA-N 434.500 1.967 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 1464266336 HUHXGVLYJKTGTE-UHFFFAOYSA-N 442.541 1.630 30 10 IDEE C#C[C@H]1COCCN1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1475892547 STKFDINBGPCKMO-RDJZCZTQSA-N 435.502 1.126 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1503412376 JZJCHIRYULYRTR-ROUUACIJSA-N 431.518 1.246 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1503716312 UZDCXHFBUGFLEW-FUHWJXTLSA-N 426.521 1.974 30 10 IDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1505270052 CIGYFCDALHSFCT-ATZDWAIDSA-N 445.545 1.777 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507628192 VMSLPOFLNWGKSU-GJYPPUQNSA-N 442.607 1.308 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1507715751 HSOJYEDKYYKBHL-KRWDZBQOSA-N 447.584 1.332 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCSC(C)C)CC1 1507883848 ARRRNASQNYDAJS-MRXNPFEDSA-N 429.612 1.909 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1508036998 SSGOJKLWXQNDAO-UHFFFAOYSA-N 448.549 1.389 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(O)CC2)C1 1508126240 RDBJRYTWTBCPMB-IRXDYDNUSA-N 449.552 1.893 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1508128198 ZBZQCHOPSNSBSN-KZNAEPCWSA-N 439.582 1.235 30 10 IDEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1510461086 AGXVTQMQSKLBML-OAQYLSRUSA-N 441.513 1.904 30 10 IDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1513056419 BSNIZVKGUZOFON-NVXWUHKLSA-N 432.550 1.819 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1519412221 PJHYBXYRBAILRR-UFYCRDLUSA-N 427.505 1.926 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)n1 1520238695 GVHSDJMFNKPDFG-UHFFFAOYSA-N 432.484 1.333 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C)cc(NC(=O)OC(C)(C)C)c2)C1=O 1525700236 MHOQEVVVYNOLDC-UHFFFAOYSA-N 430.461 1.935 30 10 IDEE COCCCn1nc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)ccc1=O 1527920959 KROQPLWHWJNICQ-UHFFFAOYSA-N 432.484 1.662 30 10 IDEE C#C[C@@H]1COCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1535553053 PNIYIOXOICGYKS-GOEBONIOSA-N 441.347 1.710 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)[C@H](C)CCC 1539154716 MQIBPECMYVZHOP-MRXNPFEDSA-N 431.562 1.970 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1539231534 SXGIKJQECWMJNN-IPMKNSEASA-N 435.594 1.631 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1539332599 WTNUUHKMTOOUJE-QFIPXVFZSA-N 445.571 1.826 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(OC)CCOC1 1539350214 DURRUVIUIDWTAO-NRFANRHFSA-N 447.561 1.460 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1539480820 FHNSSJWMIVBGQZ-PZJWPPBQSA-N 442.608 1.870 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539634581 BNRARJDTIXMAJA-PXNSSMCTSA-N 425.537 1.642 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539743265 ZZUBNQQKWUPGHR-UHFFFAOYSA-N 431.504 1.921 30 10 IDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)c1cccc(C#N)c1Br)C(F)(F)F 1539838867 LILGPLZKGTTZTF-SNVBAGLBSA-N 428.230 1.873 30 10 IDEE N#Cc1c(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)nc2n1CCOC2 1540003468 OHBPYESRCGGTKY-UHFFFAOYSA-N 446.261 1.802 30 10 IDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1540019955 OELWNDPABQCVKJ-GOSISDBHSA-N 441.598 1.625 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C)C1CC1 1540107775 CQPVMKTWCQEGEN-SYNHAJSKSA-N 439.582 1.317 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540876843 CVZBFNZZOPYFGP-GJYPPUQNSA-N 429.525 1.032 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1540907796 ISVLOQASDRLQKY-HXUWFJFHSA-N 433.582 1.821 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 1542894547 BKSHXIRWXPUOBX-UHFFFAOYSA-N 449.577 1.706 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(CS(C)(=O)=O)CC3)C2)C1 1545289578 BJMRVDITQWDLMF-RDYUPDBUSA-N 425.551 1.714 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C[C@@H]1N1CCOCC1 1546731391 AECVHORWARTKNR-QUCCMNQESA-N 437.548 1.500 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC[C@H]1C 1555188942 UKDDSOKPXAIJSQ-QAPCUYQASA-N 433.534 1.635 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCOCC2)C1 1555983945 HCBODNNPNWGHKA-FQEVSTJZSA-N 443.439 1.544 30 10 IDEE C[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1558676073 LYQWJJPFGGWHTJ-GFCCVEGCSA-N 433.534 1.554 30 10 IDEE COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1559975307 KPYOQNCGZFITNW-FQEVSTJZSA-N 428.514 1.425 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N[C@@H]3CCCN(O)C3=O)ccc2NC1=O 1569675598 BFYGTBFWFJZDCB-HZPDHXFCSA-N 432.477 1.575 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)C(=O)OC(C)(C)C)CC3)cc2C1=O 1583308773 YJCDBRHTUAZUGC-UHFFFAOYSA-N 427.457 1.095 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1586444435 ZHJBEYPIVIJIRY-DLBZAZTESA-N 442.582 1.990 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1587945659 NRHAMBZEWNSFLZ-JOCHJYFZSA-N 446.573 1.989 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588054967 QQXFTVVYFZFZEE-SJORKVTESA-N 447.948 1.558 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1588059458 OOMSKNARBHNDQL-HKUYNNGSSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1588079028 QHLMEEWZYSZNLS-NRFANRHFSA-N 427.892 1.086 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1588200562 VTTVIFGFTVIBOU-UHFFFAOYSA-N 426.908 1.705 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)c2ccco2)CC1 1588752743 UQXYORQNVXLTCW-VXKWHMMOSA-N 429.521 1.186 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)c2ccco2)CC1 1588752744 UQXYORQNVXLTCW-YADHBBJMSA-N 429.521 1.186 30 10 IDEE C=C(C)Cn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1593683096 HJQFSLQVTFNAQE-JTSKRJEESA-N 432.569 1.295 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1597414413 HCGLDULIVCNLMB-INIZCTEOSA-N 440.504 1.750 30 10 IDEE CS(=O)(=O)CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620161744 VHVOBENLMRWASA-QZTJIDSGSA-N 436.582 1.521 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1 1625107766 HASLBWYEMIKYOL-UKRRQHHQSA-N 432.468 1.616 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)c1 1627102021 YKVNRQMCOZUOCG-GOSISDBHSA-N 433.530 1.825 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 1628547680 IHJFVSRTIDTUEP-CABCVRRESA-N 439.310 1.620 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1628849046 YJVWNNCJMYUTQV-ZCNNSNEGSA-N 448.608 1.942 30 10 IDEE N#CCCCOc1cccnc1NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1632088372 NCBCNEZGYOBVOU-UHFFFAOYSA-N 446.485 1.842 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccccc1CNS(C)(=O)=O 1632672059 ODLBZERCJPGQMP-UHFFFAOYSA-N 426.502 1.838 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCN3CC(F)F)CC2)cc1 1632967088 GRBAWLHFCDHNDU-QGZVFWFLSA-N 440.516 1.805 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)C1 1633641249 UAZZEUZNZLYVFU-RYGKXEGLSA-N 439.559 1.142 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1635737438 NVZFACRIGMTEMU-GFCCVEGCSA-N 430.939 1.139 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2)C1 1635972985 GYPZRXNJXDZKKR-XYEKJYRLSA-N 430.427 1.964 30 10 IDEE C=CCn1cc(CNC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)nn1 1636330754 LKJRPGSQWNBVLL-CQSZACIVSA-N 438.488 1.988 30 10 IDEE COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1642934195 XEYGWMLLJFRJDE-IEBWSBKVSA-N 428.451 1.519 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1644590928 VLMKHDDHPOPINX-KRWDZBQOSA-N 436.530 1.561 30 10 IDEE Cc1cc(O)nc(N2CC[C@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 1644721816 GAQAILNEMASOSZ-KRWDZBQOSA-N 429.521 1.836 30 10 IDEE COc1cncc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)c1 1648035597 MXKYRLXSFHICSH-FQEVSTJZSA-N 440.573 1.683 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccc(OC)c(OC)c3)C2)c1 1648812239 IUBYVHZHCPBGTN-NRFANRHFSA-N 444.509 1.829 30 10 IDEE C#CCn1ccc(CN(CCOC)Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)n1 1652352961 XTVUWRWHTXFMCK-UHFFFAOYSA-N 432.484 1.684 30 10 IDEE CN(C(=O)OC(C)(C)C)c1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1653762707 AQINRJIFFGAUJS-UHFFFAOYSA-N 425.445 1.889 30 10 IDEE C=CCN(C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)[C@H](C)COC 1678691751 KGTKOSUUTQHYCV-LLVKDONJSA-N 426.319 1.144 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCOC 1689832136 XHJIPQZVSXQYOS-HNNXBMFYSA-N 434.566 1.668 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1689907796 LXMLCSNXWISMOE-UHFFFAOYSA-N 434.548 1.800 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C1CC1)N(C)C 1689951313 SRGQVTZUGRJWTO-LJQANCHMSA-N 430.578 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1690031501 MXRFLWSCXQMUEM-SFHVURJKSA-N 434.500 1.932 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccccc2F)CC1 1690120525 XSAVXPIXSVRSCF-UHFFFAOYSA-N 433.491 1.664 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@H]2CCOC2)CC1 1690132653 VLOKZRDRXUESMX-OAQYLSRUSA-N 441.580 1.338 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 1690670087 YQHXSXCXQJPZCR-SCQMTQESSA-N 444.561 1.466 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1690670502 CURGAFQCKPAXBU-IEBWSBKVSA-N 427.505 1.368 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCO[C@H]1CCCC[C@H]1C 1692799008 DWIAGSXKKANPAN-TWMKSMIVSA-N 440.570 1.212 30 10 IDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)no1 1694582561 BITMLJZHKLQHSN-UHFFFAOYSA-N 429.506 1.486 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1696975056 PNKPKNDWNMEORT-VQTJNVASSA-N 438.532 1.709 30 10 IDEE CS[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698339451 FSSFGGHSYJLECV-GDBMZVCRSA-N 426.550 1.574 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705520034 GHVXILBYNNGVBV-OAQYLSRUSA-N 426.546 1.790 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1705539108 JMRIMFPVHKHRRW-GCJKJVERSA-N 431.537 1.171 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1NC(=O)CC1(C)C 1705600051 KCLGBPHNMZMDDN-LJQANCHMSA-N 429.528 1.894 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCN(C3CC3)CC2)CC1 1705635290 VTHSZOSFRZHFNY-IBGZPJMESA-N 430.597 1.632 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCCN2CCOCC2)CC1 1705636960 DEKBJQCHCIVKGF-UHFFFAOYSA-N 426.540 1.952 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1705637519 ARVFLTYQDXJWGW-PMACEKPBSA-N 439.608 1.927 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC2(O)CCOCC2)CC1 1705649330 TUPWPAFAWHVONJ-UHFFFAOYSA-N 438.532 1.238 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCSC2)CC1 1705650339 PUMYNFBWXKZOHT-JOCHJYFZSA-N 440.573 1.098 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](COC)C1 1705698467 UUIFTMIEYZCAHP-XDNAFOTISA-N 441.598 1.732 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC)CC1 1705700469 UCNXJDZUAGBRKY-FUHWJXTLSA-N 427.509 1.995 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705737552 UWPNKXBAGRTKJF-QGZVFWFLSA-N 429.525 1.500 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3cccs3)CC2)nnc1[C@@]1(OCC)CCOC1 1705909448 XNCUKGDMGQTZPI-OAQYLSRUSA-N 446.577 1.621 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOCC2(CCC2)C1 1705937174 LGCRSLQOFKZNST-UHFFFAOYSA-N 431.562 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1705939054 QRWJQNHQBXUZPO-FQEVSTJZSA-N 442.582 1.535 30 10 IDEE COCCOCCn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712619927 WPCDQMQNOAZGRE-QGZVFWFLSA-N 442.568 1.906 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1712704782 SHSONDHJMUTRMX-UHFFFAOYSA-N 428.518 1.245 30 10 IDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1722332769 OPHRFNVJSGTRRX-LJQANCHMSA-N 425.489 1.499 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722337454 AVXKNXKZZWJWMR-LJQANCHMSA-N 437.525 1.769 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1722359094 PVZNGTZCCFDABN-INIZCTEOSA-N 425.624 1.251 30 10 IDEE C#CCN(c1nnc(COCC)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1722369574 BGETWCJNTHGUMJ-GOSISDBHSA-N 432.546 1.829 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H]1C(C)C 1722413958 TYZOCYJYLRNDRL-SQNIBIBYSA-N 439.582 1.132 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)Oc1ccccc1 1722413966 UEHQYGQOHNRUSN-PKOBYXMFSA-N 447.561 1.538 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(N(C)C)CCOCC2)CC1 1722435442 NCFXIIBPWSZIIL-UHFFFAOYSA-N 426.540 1.950 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(C#N)o2)CC1 1722440056 ASKWGRLLQMQFOD-UHFFFAOYSA-N 435.513 1.538 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1722458170 DWRNYHDGIMDTMS-SFHVURJKSA-N 444.605 1.825 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)C1 1722710230 FSICHYSUYKAJIX-ZKDVCIDWSA-N 447.627 1.217 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1722982012 VIWAPFDGTKNSEU-MRXNPFEDSA-N 441.492 1.799 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1723604672 SMTVGGJSYJIMRB-VGSWGCGISA-N 439.568 1.949 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)CC 1727010066 UNASFQPFQQNYRN-INIZCTEOSA-N 431.566 1.820 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1728903101 AVVNQUKEJYJJER-VGOFRKELSA-N 443.504 1.790 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Br)n2)CCO1 1731186615 FIURQTXBWDXBEF-CQSZACIVSA-N 446.309 1.335 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1740554383 YQIHISUDQIPZCI-YLJYHZDGSA-N 427.574 1.696 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1740647141 OMJDBSOHBGPGJQ-HSZRJFAPSA-N 439.516 1.805 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1740675507 QLIPGNQXGKUXKX-HNNXBMFYSA-N 425.555 1.854 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OC)[C@H](C)CC)CC1 1740704748 SZQSCVUVZXQJAY-VQIMIIECSA-N 425.537 1.762 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC(=O)N(C)C)CC1 1740706536 ZPZUTEMDSARNTR-GOSISDBHSA-N 430.553 1.006 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCn1cnnn1 1740734199 UHZGNBKZWRVHON-LJQANCHMSA-N 425.522 1.339 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1740925808 NSZLLBACQARTDJ-UHFFFAOYSA-N 425.537 1.875 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CCC)C2)C1 1740982639 VOHISSMRGRJQKW-CEXWTWQISA-N 437.610 1.693 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3cccnc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1741056967 FESUYCZMDZBNDT-QHCPKHFHSA-N 436.564 1.558 30 10 IDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1741517395 BRPUBKIDFVZAHJ-FXAWDEMLSA-N 439.582 1.488 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(C)(=O)=O)C1 1741986047 XNWCEFDKQWKTMV-HXUWFJFHSA-N 446.533 1.743 30 10 IDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1745335283 DTUUNTDKEAMDFM-SFHVURJKSA-N 432.550 1.761 30 10 IDEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1746160928 AJLLICQRTUKMBO-LJQANCHMSA-N 425.537 1.500 30 10 IDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(=O)(=O)CC 1747247473 FHAQSBJIISMWST-GOSISDBHSA-N 448.549 1.203 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccc(Cl)c1 1748766586 SAJPIPQZXGNQAL-UGSOOPFHSA-N 425.942 1.519 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1748918356 BQIRMAIXIIJXCR-NRFANRHFSA-N 425.514 1.502 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C(C)C 1748920323 JEXZJPVISWFSTG-UHFFFAOYSA-N 445.593 1.860 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2c(C)cccc2C)CC1 1748971267 KAJRAXRLZPWGKQ-UHFFFAOYSA-N 436.560 1.965 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2nncn2C)CC1 1748999663 AUJCFEPIXCNOOQ-UHFFFAOYSA-N 436.520 1.188 30 10 IDEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1749022584 KPWUUHOJYLKTFL-MAUKXSAKSA-N 447.536 1.875 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(N)=O)CC1 1749026867 RVCGSJUGYDRXGY-UHFFFAOYSA-N 427.530 1.784 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@]2(CCOC2)O1 1752313070 VJTMNDXFWJYZDZ-MBSDFSHPSA-N 440.548 1.779 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC[C@H]1C 1760200875 VOWQVQTXZMZXHY-HXUWFJFHSA-N 429.528 1.924 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1760204307 KRWLQWCZIDIVLA-UHFFFAOYSA-N 433.537 1.930 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1760223605 WHZJQCHZZPUVSW-UHFFFAOYSA-N 445.520 1.495 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1760241257 UQJNCBVDWGHDRU-KRWDZBQOSA-N 426.496 1.780 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C(C)C)CC1 1760262299 LCAKBLBTYAAZGR-UHFFFAOYSA-N 426.540 1.926 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)C(=O)NC)CC1 1760268491 SGTZBOCSQYNWSU-UHFFFAOYSA-N 440.523 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760514618 BKGLNCXMZUYTPI-MPYYAJLASA-N 449.353 1.935 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(C)C)CC1 1760552153 DREQOTAIUCJNKZ-UHFFFAOYSA-N 434.566 1.189 30 10 IDEE C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCN1CC(F)(F)F 1763113082 FIWOXIVGLIWGRT-WFASDCNBSA-N 437.426 1.815 30 10 IDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN(CC)S(C)(=O)=O 1764845012 MLQRVNZYJFFTJH-UHFFFAOYSA-N 433.538 1.047 30 10 IDEE CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766250702 DEFVZZVEAPNJIZ-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1766693526 BIGFNDYWOGJLGP-OAHLLOKOSA-N 435.506 1.029 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@](C)(O)CC)CCN2C1=O 1766926376 BKRFWSHFQGRHCI-VGSWGCGISA-N 437.504 1.450 30 10 IDEE CN(Cc1ccccn1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1767121092 YBTFRNXVXYSBLO-QURGRASLSA-N 444.499 1.822 30 10 IDEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCN(S(C)(=O)=O)C1 1770423908 CGINBZZPWCBEAW-SJORKVTESA-N 446.577 1.897 30 10 IDEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1771053882 IJZQTRXKVXJEHG-QRVBRYPASA-N 429.546 1.960 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1nc(C)cc1C 1771304611 DTWALFRXCDYCOU-FHWLQOOXSA-N 429.525 1.635 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1 1849770938 HYMYIEOQLUSVNE-GOSISDBHSA-N 430.461 1.535 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cnn([C@H]3CCOC3)c2)cc1 1852775052 ORHVFOWIBCPEIF-FPOVZHCZSA-N 426.473 1.653 30 10 IDEE C=CCC1(S(=O)(=O)N2CCC(N[C@H]3CCN(c4nc(C)c(C)c(O)n4)C3)CC2)CC1 1853599458 PXGIYPKOPOUOPM-SFHVURJKSA-N 435.594 1.870 30 10 IDEE Cc1ccc(C(=O)N2C[C@H](C3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1C#N 1853938959 DHRPRPDSMLWOCQ-UXHICEINSA-N 429.542 1.755 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@@H]2COCCO2)CC1 1854430412 XRRVZAPJDXLXQS-IBGZPJMESA-N 434.514 1.639 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccccc2Cl)C(=O)C12CCCC2 1854488268 SIQOHKXTPVIPKP-UHFFFAOYSA-N 425.894 1.556 30 10 IDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C1=O)CC2 1856533028 GAYQPQHFYLDDNK-MJGOQNOKSA-N 429.542 1.994 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(F)cc3F)C2)CC1 1857042227 UMARFGMETFYLKK-OAHLLOKOSA-N 425.457 1.448 30 10 IDEE N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCO2)cc1 1858992098 RZWMCGIAKUQEPW-LJQANCHMSA-N 442.497 1.906 30 10 IDEE C=CCN(CC=C)c1cc(N2CCN(C(=O)CCN3CCCC3)CC2)nc(CCOC)n1 1869113261 RRQXVFSCEDFGOO-UHFFFAOYSA-N 442.608 1.978 30 10 IDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)CNC(=O)c3ccccc3)cc2)CC1 1870152289 KQRRDLHNDSDFSR-UHFFFAOYSA-N 444.499 1.259 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCCN(C)C 1870545242 UICXTPNRFSWTRY-NRFANRHFSA-N 446.592 1.648 30 10 IDEE O=c1c(Br)c(N/N=C/c2ccccc2F)cnn1[C@@H]1CCS(=O)(=O)C1 1873527127 MMAXTJJYFNXJBK-MBCCIFHSSA-N 429.271 1.951 30 10 IDEE Cc1nc(C2=C(N)N(c3ccc(N4CCN(C)CC4)cc3)CC2=O)sc1C(=O)N(C)C 1873529490 FLBDJHMKSHHJBT-UHFFFAOYSA-N 440.573 1.622 30 10 IDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1874273819 HENQOKGJDLABAA-GGPGUOJZSA-N 430.534 1.861 30 10 IDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 1874338731 WOUBWWSUABUOHN-OOMAIKSQSA-N 432.506 1.176 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NCC#CCN2CCOCC2)CC1 1889828705 QJWIZQXRLNFYIQ-UHFFFAOYSA-N 439.541 1.943 30 10 IDEE C[C@H](C#CC(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902014023 LYIFDWDALYNUBE-VFNWGFHPSA-N 425.526 1.781 30 10 IDEE C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CC(NC(=O)OC(C)(C)C)C1 2014679588 ZVURAZYNZCGNCC-PXNSSMCTSA-N 427.549 1.820 30 10 IDEE N#Cc1cc(Br)ccc1CN1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2174571190 POIHZFISUAGDTC-YPMHNXCESA-N 433.228 1.675 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C(=O)C1 2232322429 BJMHEPLCFZUJCD-UHFFFAOYSA-N 447.341 1.839 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)C1 2243258673 RMHMOHCJAZLKQT-NAXCRDPKSA-N 425.526 1.685 30 10 IDEE C=C(CS(=O)(=O)N[C@@H]1COC[C@@H]1CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903694 IQSQTOVAKBFUIK-LSDHHAIUSA-N 446.375 1.633 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247922953 QCHFHBAFGVDTFB-UHFFFAOYSA-N 439.343 1.154 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248416347 QRURYSCYHCHGBP-SDDRHHMPSA-N 438.359 1.747 30 10 IDEE C[C@H]1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255544892 HLNVWJLPHYRDKY-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255619082 MQDCRSHYEHVETF-KGLIPLIRSA-N 436.318 1.073 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2255655482 MZDHZZZMYRXCKC-CYBMUJFWSA-N 439.293 1.135 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255807313 RQKQKTFTERONRL-HUUCEWRRSA-N 436.314 1.991 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063457 VVGTWXLOSBJNNP-KGLIPLIRSA-N 432.330 1.951 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)n1 2267112598 JINIHMZPBZXYES-CYBMUJFWSA-N 447.345 1.244 30 10 IDEE CN(Cc1n[nH]c(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2267140905 FZDGELCSOUQPSV-UHFFFAOYSA-N 447.305 1.446 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)n1 2267548303 FMYJWPQBWUKULR-UHFFFAOYSA-N 447.345 1.411 30 10 IDEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2c(OC)ccc(OC)c21 13789498 MCAXUSJQEMHGGD-FMQUCBEESA-N 437.543 1.452 30 10 IDEE CCNC(=S)/N=C(/NCCc1ccc(S(N)(=O)=O)cc1)Nc1nc(C)cc(C)n1 14157926 SIZUZDGFOGLHHG-UHFFFAOYSA-N 435.579 1.235 30 10 IDEE C=CCSc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 29702052 QXBWOPGOUZMGOV-UHFFFAOYSA-N 440.591 1.098 30 10 IDEE COC(=O)c1ccccc1N1C[C@@H](C(=O)Nc2c(C#N)cnn2-c2ccccn2)CC1=O 170525977 SOVRWZRBYJKPGR-AWEZNQCLSA-N 430.424 1.917 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 325014657 CZWRGQPJRJLDSX-NSHDSACASA-N 437.293 1.168 30 10 IDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)CCO1 409499048 GFKLLJQHOSRIGL-VQTJNVASSA-N 428.514 1.503 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C[C@H]1CCCO1 461346561 JMDOABQSXTWMPJ-MRXNPFEDSA-N 443.500 1.042 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 487214019 DOJDNZSQSTUZBB-KRWDZBQOSA-N 447.521 1.043 30 10 IDEE N#Cc1cscc1C(=O)NCCC(=O)N1CCN(C(=O)c2cscc2C#N)CC1 493954026 AYAXWFFKVBDSRL-UHFFFAOYSA-N 427.511 1.657 30 10 IDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 500253957 HEWDXYNKGJMYRC-INIZCTEOSA-N 434.562 1.891 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 502560986 NUHKNLKOXSFQCQ-FQEVSTJZSA-N 437.518 1.908 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cn1 504708726 SYGVXAJQEKUEAI-UHFFFAOYSA-N 429.506 1.561 30 10 IDEE C=CCn1c(Cc2ccccc2Cl)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508907486 NCYMQWTYOHOSKC-UHFFFAOYSA-N 444.967 1.689 30 10 IDEE Cc1cc(N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)n2ncnc2n1 521223541 AVADNUFUELRNCO-UHFFFAOYSA-N 428.460 1.035 30 10 IDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 544078407 QWDRHRKRKLJSDQ-UHFFFAOYSA-N 425.539 1.349 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1OC 549288261 SIJXEAPYGJXNTF-IBGZPJMESA-N 449.577 1.875 30 10 IDEE O=S1(=O)CCN(CC#CCN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)[C@H]2CCCC[C@@H]21 551394252 IYXROOFQUQWDRV-LWYYNNOASA-N 428.620 1.073 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2=O)cc1 556525101 FAOIQXVJMKIEIV-GOSISDBHSA-N 449.442 1.234 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C[C@H]2CCCO2)c1=O 557725303 LWHDSOBYRZKQOM-LJQANCHMSA-N 437.565 1.959 30 10 IDEE COc1cccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 585824437 REUGIICBCMNVOH-OBEBJHFJSA-N 447.491 1.811 30 10 IDEE O=C(NCCCN1CCCS1(=O)=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 587981868 XPAASZMVYBWVGE-UHFFFAOYSA-N 425.510 1.567 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 609632841 YCIBRDSDLGTLKP-UHFFFAOYSA-N 434.543 1.286 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(c4nnc5n4CCC5)CC3)C2=O)cc1 617036185 CRVJPTJXJKARMV-LJQANCHMSA-N 433.516 1.786 30 10 IDEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 731887584 CPJPGIHLQQPZFA-AXNLMSORSA-N 430.530 1.489 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCN1C1CC1 732677208 SHSFPTRVNCRLKZ-IBGZPJMESA-N 431.562 1.743 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccccc1F 735069517 VKOZDHPIIFPQBS-UHFFFAOYSA-N 439.516 1.674 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccc(F)cc1 743725754 YYWQHIBIUBFGBO-UHFFFAOYSA-N 444.513 1.069 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccnc(C#N)c1 747008151 PWRINEQSYNCFIZ-QGZVFWFLSA-N 435.889 1.883 30 10 IDEE CCn1c(O)nnc1C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 764651433 ZPDOXEBENJSONA-ZDUSSCGKSA-N 446.533 1.227 30 10 IDEE C#CCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2c(Br)cnn2C)c1=O 782783846 OPZYEOPKRMVPFX-UHFFFAOYSA-N 447.358 1.547 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 789245037 KWHBNURDZDHYKE-QHCPKHFHSA-N 439.560 1.965 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3csc(C(F)(F)F)n3)CC2)o1 792337009 OEQPFGOIXPLQAP-UHFFFAOYSA-N 429.380 1.836 30 10 IDEE C#CCN(C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 793153646 LSLNWWAMSBNKFN-ZDUSSCGKSA-N 427.548 1.473 30 10 IDEE Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 800740279 LMMQTCSQQPJRAE-UHFFFAOYSA-N 432.488 1.835 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 804542159 JXWBFDXMJXNYHZ-ZFWWWQNUSA-N 441.575 1.222 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 809896144 FPHFWSVOLCWPGI-GJZGRUSLSA-N 441.554 1.396 30 10 IDEE CC#CCS(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 810774285 GLAPYCDKOMAGJD-OAHLLOKOSA-N 444.962 1.868 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cc1 916777622 MZQRNQPBAPBGLF-UHFFFAOYSA-N 432.523 1.857 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1116542233 PXFPZGWGMTYKCN-HXUWFJFHSA-N 433.574 1.285 30 10 IDEE N#CCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CC1 1137371346 LVDDVZLFOHJKTR-UHFFFAOYSA-N 448.451 1.964 30 10 IDEE COc1cc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)ccc1C#N 1137922459 XGMQRXCICGRNCE-UHFFFAOYSA-N 429.454 1.141 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 1140132768 NZXKPECGUWEWON-QGZVFWFLSA-N 428.533 1.780 30 10 IDEE C=CCn1cc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nn1 1142655644 OFOYBEKVTQRVST-UHFFFAOYSA-N 433.412 1.348 30 10 IDEE CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1143421529 ZUHNYWYXCOPTRE-INIZCTEOSA-N 444.513 1.189 30 10 IDEE CN1C(=O)Cc2cc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 1159356927 JQQDFSHHGZYQPO-UHFFFAOYSA-N 426.498 1.341 30 10 IDEE N#Cc1cn(C2CN(C(=O)/C=C/c3ccc(I)o3)C2)c(=O)nc1O 1159490224 NYXVRAWPJHDKEW-DUXPYHPUSA-N 438.181 1.115 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2C(=O)CCC2=O)cc1 1159499798 YTEZIMMBJAHZRF-CYBMUJFWSA-N 426.454 1.517 30 10 IDEE Cc1ccc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)cc1S(=O)(=O)NCC#N 1167514627 UBFIULRHCKRJQY-UHFFFAOYSA-N 448.545 1.926 30 10 IDEE CCOc1cccnc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 1177702209 HVBDXYQFLYPOCO-UHFFFAOYSA-N 443.529 1.553 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1183923750 GEXUDHASGCPSSI-ZBFHGGJFSA-N 431.352 1.643 30 10 IDEE CC(C)(C)Oc1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1C#N 1205448304 HLJIQXMPAVLEGY-UHFFFAOYSA-N 429.521 1.744 30 10 IDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286346245 XLQUFNOFCCVXPC-QGZVFWFLSA-N 447.561 1.894 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1286405335 AHPRIMQWCQNAMS-UHFFFAOYSA-N 441.539 1.705 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2CCN(CCN(C)C)CC2)CC1 1286477191 RAXZJRKFLXOJRS-UHFFFAOYSA-N 438.624 1.312 30 10 IDEE C=C(C)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1286598913 GUQDOCNVNFUYMY-NRFANRHFSA-N 429.525 1.632 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(=O)(=O)CC)C1 1286805813 SJSKXVXDHZDRGE-MRXNPFEDSA-N 449.533 1.394 30 10 IDEE N#Cc1cn(CCC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c(=O)nc1O 1295118066 MYUJWLXABKZHNU-UHFFFAOYSA-N 436.516 1.059 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300486748 AJNQYKFDTVLFLY-HYDGNGQDSA-N 447.586 1.268 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1300516257 KFBHAIDRVXPVDT-GOSISDBHSA-N 441.557 1.695 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1300539100 YDOMAEXNIBBGGW-GOSISDBHSA-N 426.542 1.529 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1300578292 KGLJYIINMBTOBI-OXQOHEQNSA-N 432.571 1.612 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1300578714 GUKVYMRQSAGSMD-OAQYLSRUSA-N 427.512 1.985 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1n[nH]cc1I 1301171229 ZFINKVXGFLMQKB-MRVPVSSYSA-N 445.242 1.191 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301197900 RHQSASCGWLCQKZ-UHFFFAOYSA-N 431.541 1.683 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)[C@H](C)CC(N)=O 1301485403 VVXYHJICQRTISP-GFCCVEGCSA-N 435.326 1.710 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1301531687 UCQGIGPLNFWBSO-HSZRJFAPSA-N 438.532 1.715 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1301617402 DXRWHTNNYQYFDN-RBUKOAKNSA-N 448.637 1.867 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1302480684 UHSJKWYAISMFPW-IIDMSEBBSA-N 426.518 1.038 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCCCc2ccccc21 1304283571 ZCQHFCZLTPITLP-INIZCTEOSA-N 440.525 1.711 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1305116484 GBMVIBAUBDNJRI-OAHLLOKOSA-N 442.545 1.308 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)CCCO1 1305142218 HMBRCEPCDPLOEA-MRXNPFEDSA-N 445.545 1.372 30 10 IDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)C1CSC1 1307919789 XMBFBEZLVAZORX-UHFFFAOYSA-N 437.587 1.859 30 10 IDEE C=CCn1cc2ccc(NC(=O)NC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)cc2n1 1311237544 JQNISYVABBKYGT-UHFFFAOYSA-N 443.533 1.931 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1315002652 FKUDBIBAONWIEU-IBGZPJMESA-N 440.504 1.107 30 10 IDEE COCCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1316007199 PCQOWSZFFXTTBF-IBGZPJMESA-N 440.552 1.998 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 1335693420 NXUWTVYUTAOJJJ-PNHOKKKMSA-N 430.505 1.926 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1353983894 RJFUONLYVMHWFD-MRXNPFEDSA-N 438.506 1.118 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(C)S(=O)(=O)CC)CC1 1359034507 TUQNLJGYICFIBX-UHFFFAOYSA-N 445.593 1.075 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)CC1 1359038388 USZVQTYFZLYEKZ-GOSISDBHSA-N 441.605 1.520 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1359070622 QEYBTQGVRMMNKY-WAOWUJCRSA-N 435.594 1.141 30 10 IDEE C=C(C)Cn1c(N2CCC(NS(=O)(=O)CCC)CC2)nnc1[C@]1(OCC)CCOC1 1359125184 SJYQSAAIPDNVKD-FQEVSTJZSA-N 441.598 1.805 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1359208410 LNYJCEGIQNYGHJ-MRXNPFEDSA-N 437.570 1.473 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359296236 BLUNNEGOSBGWMD-UHFFFAOYSA-N 432.550 1.108 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cn2)CC1 1359962547 DHOWHJOWGGMZEL-RBUKOAKNSA-N 425.514 1.777 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 1436232824 CBGDFRIKIXFNJJ-UHFFFAOYSA-N 437.493 1.919 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2=O)cc1 1469763104 WCEQIIUOPUUPBZ-VXKWHMMOSA-N 448.527 1.649 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2C[C@@H]21 1472204161 XLVYOGLLHZCPBP-CABCVRRESA-N 434.518 1.335 30 10 IDEE Cn1[nH]c(C2CCN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2)nc1=N 1475564618 BXDCNUGCADCIOK-UHFFFAOYSA-N 443.302 1.569 30 10 IDEE C#CCN1CCC(NC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 1475861534 YIAWWFXJLDWPLH-UHFFFAOYSA-N 427.549 1.579 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1503253636 BGYXBDZBQWMCLS-UHFFFAOYSA-N 428.562 1.783 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1505018107 CYBALAQGGORKPE-XXBNENTESA-N 438.532 1.927 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1505037418 NSMPAMBWKAXUNG-GCJKJVERSA-N 427.505 1.457 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 1505144931 BXIVSCITJBRFJF-UHFFFAOYSA-N 430.534 1.373 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CC2)c1 1507551067 UPTCMMFMRPLVDJ-FDDCHVKYSA-N 436.516 1.446 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1507629201 KQHLEEJSYXAJMV-SFHVURJKSA-N 443.529 1.414 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507636106 YWGJYCXLGYUQEV-XLIONFOSSA-N 434.587 1.718 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2cccc(F)c2)CC1 1507717043 XXQRPFNZIJJHIU-QGZVFWFLSA-N 428.512 1.778 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N[C@H](C)CC)CC1 1507740457 AGXAFGZNRJPFJN-SJLPKXTDSA-N 430.553 1.400 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1507758980 WVAYRAURHHFMFL-WMQCIHAUSA-N 436.578 1.681 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507791069 HCMRKVBUPCBLJG-UONOGXRCSA-N 448.387 1.804 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)OC)CC1 1507791626 OMJXZUZYDJNDGA-QZTJIDSGSA-N 431.537 1.885 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1507809521 VTFZITDXLYSJFO-XWSJACJDSA-N 433.553 1.685 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1508071647 KZCATKOXKPJMSO-MRXNPFEDSA-N 447.584 1.096 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)OC)CC1 1508074278 PTIJLPLCOSSRIT-UHFFFAOYSA-N 448.911 1.798 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCO1 1518940649 HJDLJNDRUZQZSY-SFHVURJKSA-N 428.493 1.059 30 10 IDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1519379135 ZVKKOHNEADHTQN-UHFFFAOYSA-N 447.561 1.883 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCSCCCO)c1 1521082763 MEOBYSVVZZDLRP-OAQYLSRUSA-N 429.546 1.928 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@@H]1CCOC1 1539170825 BXVFGYNBFAZIQH-KRWDZBQOSA-N 436.516 1.705 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC=C)CC1 1539434949 YSMKKNWRYHHFTK-UHFFFAOYSA-N 442.589 1.917 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539624188 QSKVKOIODAXRSA-SXLOBPIMSA-N 441.532 1.886 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](OC)C(C)C)CC1 1539847996 KLGSCIBQBRYGSX-DLBZAZTESA-N 427.571 1.438 30 10 IDEE C=CCCOCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1540041836 FMPQAVKQCKRHPP-LAUBAEHRSA-N 434.541 1.079 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-c1cnn(C)c1 1540048313 SSOQBCRRQHPPOL-OAHLLOKOSA-N 429.550 1.959 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1541112500 IABUGGVCKHFOHT-LTIDMASMSA-N 449.581 1.029 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1547764336 FKGSUTGJCNGTSS-HSZRJFAPSA-N 437.548 1.644 30 10 IDEE CNC(=O)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1554484056 DRIHOKPKCDGIFS-UHFFFAOYSA-N 432.488 1.791 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)C[C@H]1O 1554545716 RXAGZVITOWNVGQ-KBAYOESNSA-N 427.530 1.930 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CCO1 1555385678 HEKJLJUYWQOZQV-LJQANCHMSA-N 447.561 1.883 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccccc3)n2CCOCCCO)CC1 1555991110 PFGWXCXWLOXKDB-UHFFFAOYSA-N 433.516 1.937 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 1556835290 JDYWHPNQEGPDCG-QZTJIDSGSA-N 425.595 1.959 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2cnccn2)C1 1558524190 CEFSEXZVHCAUEN-WBVHZDCISA-N 427.530 1.946 30 10 IDEE Cn1cc([C@H]2CSCCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1558592634 GIERDKNGXVKIKM-MRXNPFEDSA-N 433.559 1.556 30 10 IDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1559939024 FAFFOURTOATOOC-IBGZPJMESA-N 431.558 1.457 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)s1 1566300507 SFWXZAADGYGXHT-GOEBONIOSA-N 440.543 1.699 30 10 IDEE COC(=O)[C@H](Cc1cncs1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1583832091 MSIZOOZPCBBAIZ-LRDDRELGSA-N 432.889 1.922 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)CC2)nc1 1585233527 VIVKJNXJQIGVBQ-FQEVSTJZSA-N 445.479 1.590 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c2ccc(F)cc2O1 1586373936 LYJACJUUFVDRDD-SFHVURJKSA-N 447.444 1.598 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCNS(C)(=O)=O)c1 1587692678 IFKUDIRCDOVBBO-UHFFFAOYSA-N 432.550 1.082 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1588090259 VKAHDFZGKMFTQG-XMMPIXPASA-N 443.592 1.892 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1588214265 OFARQAUWPAOJEI-GOSISDBHSA-N 442.531 1.699 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C)n(C)c1=O 1588595184 OFZJTVMFIZCIMD-UHFFFAOYSA-N 436.472 1.995 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1588646300 IPMDXNQKZSIYJS-MRXNPFEDSA-N 437.591 1.582 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)COC)CC1 1588732851 HWOHHDRFLSKZRN-KRWDZBQOSA-N 444.967 1.899 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1588780557 SIRRFNLXXYKKKF-RBUKOAKNSA-N 441.532 1.257 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NCC)c2)CC1 1588800397 DSEITKDZUFEAKN-UHFFFAOYSA-N 429.528 1.893 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C(C)C)C(C)C)CC1 1588864726 JLFATBDNEAFMPW-UHFFFAOYSA-N 429.613 1.665 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1588865240 QWUZYBXOMDVGBE-UHFFFAOYSA-N 442.527 1.825 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2ccnn2)CC1 1588898760 ANUHCPPQKGAHPP-UHFFFAOYSA-N 448.531 1.601 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCCC2)CC1 1588923706 JZWSHQPCXNQGSF-GOSISDBHSA-N 438.580 1.376 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)C1 1595730037 SIYRDTGEEICUSQ-ROUUACIJSA-N 441.598 1.829 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1610416596 QJXNPZATIVGWJJ-QIEZACGCSA-N 442.520 1.611 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1611817244 ZTXKRNKCZXDXOV-HOTGVXAUSA-N 448.549 1.640 30 10 IDEE CCOCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1617110130 UHBYYBAZNFHXCX-ZWKOTPCHSA-N 440.552 1.975 30 10 IDEE N#C[C@]12CN(C(=O)Cc3cccc(I)c3)C[C@H]1CS(=O)(=O)C2 1618171811 NQOLXZFLDOFHSN-SWLSCSKDSA-N 430.267 1.230 30 10 IDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1620071743 YCZNKFHHJJCAPW-IBGZPJMESA-N 447.561 1.883 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620138452 IPPSKFGJJSISNK-AOMYARPXSA-N 426.452 1.836 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1620158812 HHTKEJSQVKOXBU-RTBURBONSA-N 443.529 1.697 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CNC2(c3ncccn3)CCOCC2)CC1 1620606800 BKVBUSZFTCQDRB-QGZVFWFLSA-N 426.546 1.542 30 10 IDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCC(C#N)(C(=O)OC)CC1)N2C(=O)OC(C)(C)C 1627417790 SYDQCKGHIDNBLX-YHUYYLMFSA-N 449.504 1.479 30 10 IDEE CCOC(=O)[C@@]1(C)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1643018465 LLEGYAYNVWDSTR-DDHUMTCJSA-N 435.521 1.954 30 10 IDEE O=C(NCCN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1F 1644679035 PJMHBNRYZUECIM-UHFFFAOYSA-N 448.498 1.473 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2C1 1645270108 OTWQZXNUKGODGX-AVRDEDQJSA-N 445.541 1.990 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1645679765 JIKGURRHLHHIRJ-QRWLVFNGSA-N 431.961 1.754 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)c1 1650994013 ZROHUNXEBWAOLO-HDICACEKSA-N 426.498 1.894 30 10 IDEE C=CCC1(O)CN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1651764173 RQYRNHNSXASHQJ-UHFFFAOYSA-N 430.530 1.306 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)C1=O 1652171377 WPVAKJWLDDNGIE-IBGZPJMESA-N 447.373 1.627 30 10 IDEE Cn1c(SCC#CCN2C(=O)c3ccccc3C2=O)nnc1[C@H]1CCS(=O)(=O)C1 1652545445 PUFIVWKAGDFVPF-ZDUSSCGKSA-N 430.511 1.109 30 10 IDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1655416280 TVOWZFXYQUSGKG-HZMVEIRTSA-N 447.536 1.452 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)c(=O)n1C1CC1 1656801436 HLKYNESYKLXEQK-GASCZTMLSA-N 437.500 1.777 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1672799122 ZNXPSDPWBIERSU-MSOLQXFVSA-N 430.530 1.903 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCC[C@@H]2CCCS2(=O)=O)CC1 1683741617 AJINXYAWFNAYPM-KRWDZBQOSA-N 427.530 1.905 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC4(CCOCC4)CO3)CC2)cc1 1684667653 KDCJZCKZBSALHC-GOSISDBHSA-N 448.545 1.160 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1689937414 ZBLQZHMVUNTXSF-IBGZPJMESA-N 425.537 1.533 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nnc(CC)s2)CC1 1690135400 VVSKARGRPIRIPR-YJBOKZPZSA-N 431.566 1.220 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1690245865 NVSDCWIWTVCBRE-IKGGRYGDSA-N 427.571 1.438 30 10 IDEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1690539460 AHWRBRRPBJSLAJ-IBGZPJMESA-N 433.490 1.558 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1690565994 ZJXRKEDXECUNAD-GHTZIAJQSA-N 432.546 1.524 30 10 IDEE C=CCN(CC=C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCOC1 1690585420 KNWVQJHPCXJXQU-NRFANRHFSA-N 446.577 1.876 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1C(C)(C)C 1690677006 KOXYXWVMEJKEOG-UHFFFAOYSA-N 426.521 1.546 30 10 IDEE CCOC[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696377677 PHJUDFWETUCXQU-MEUCICPISA-N 425.493 1.662 30 10 IDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1696425956 FMKMNOKYRPVAET-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1696429979 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IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1749456771 AGGCPGZLLCXTOC-LJQANCHMSA-N 447.561 1.724 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749677696 IGKJKTYXEKJZSA-OALUTQOASA-N 449.515 1.278 30 10 IDEE CC(=O)N1CCN(CCn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1749884694 KWYRCHVWSOAHCA-UHFFFAOYSA-N 438.536 1.101 30 10 IDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCO[C@@H]2CCOC2)CC1 1750384910 UUTBAAHLQVOLIZ-QGZVFWFLSA-N 425.493 1.861 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCC(O)CC2)CCOC1 1751006218 FFMZBNJOBKCPLN-GCJKJVERSA-N 434.585 1.904 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1752550765 FQJHRFSSEZQGHQ-QXATTWAWSA-N 426.521 1.565 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@H](O)C1 1760244621 BCJWYWIXDCZINI-PKOBYXMFSA-N 446.573 1.986 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1760314037 SUHASDZZUJKOQZ-AEFFLSMTSA-N 445.568 1.392 30 10 IDEE 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ROZURLZIQNIZJZ-STQMWFEESA-N 435.334 1.147 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CC[C@@H]2OCc2ccccc2)n1 2255934047 XCOWSYPIAVUDCU-MSOLQXFVSA-N 447.366 1.745 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)n1 2267117610 FGCCHLOXESOUEH-SFHVURJKSA-N 439.369 1.899 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2267195913 MMVYDDFLTALGPR-QAPCUYQASA-N 446.353 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](O)C1 2267273321 LGFCBWGAJMPLNH-RDJZCZTQSA-N 447.341 1.481 30 10 IDEE Cn1cc(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267503060 XEMWOLIUEVERGD-RCDICMHDSA-N 446.357 1.849 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267503690 HUBQPQDJZFPGQA-NWDGAFQWSA-N 444.263 1.391 30 10 IDEE Cc1nc(NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268653249 LEUHCFQPILGFII-CABCVRRESA-N 448.329 1.705 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCC(F)(F)C(N)=O)cc2Cl)OC1(C)C 2282826583 SEZHGFVKHNYGJO-UHFFFAOYSA-N 430.691 1.100 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2C1=O 9702341 HKJTZMLRUBUUII-UHFFFAOYSA-N 435.436 1.966 30 10 IDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 14690736 FAJRLUBWSPMJHD-HNNXBMFYSA-N 444.469 1.767 30 10 IDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 71530949 MSFMFIKAALZXAY-GFCCVEGCSA-N 436.939 1.289 30 10 IDEE COc1ccc(N2CCN(CC(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)C2=O)cc1 238957365 YCKFFNICXGUWKG-SFHVURJKSA-N 436.472 1.669 30 10 IDEE COc1cc(Br)ccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 427092411 IQZOIBKETVTKLA-UHFFFAOYSA-N 434.294 2.536 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 438617638 HKFDYFYJRQZZRH-TUWOMJDYSA-N 438.484 1.312 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 460549107 DZJMXVDGNZLLCL-ULQDDVLXSA-N 425.555 1.335 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 481518033 HLCUSOSDXXQPOJ-UHFFFAOYSA-N 442.541 1.973 30 10 IDEE C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 487772808 VMNOLDPFPKTBIJ-MJGOQNOKSA-N 444.580 1.229 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1OC 488698141 QHXDZVSQPMFMSA-UHFFFAOYSA-N 433.461 1.861 30 10 IDEE COc1ccc(C[C@@H](C)NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1OC 491235069 IZISYGULBCQLQB-OAHLLOKOSA-N 448.483 1.901 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 505641873 AGWJZHJCLHUKSF-UHFFFAOYSA-N 445.545 1.447 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3c3noc(-c4cnn(C)c4)n3)cc2C1=O 506813319 FAAPNVHPIHCXTQ-QGZVFWFLSA-N 448.439 1.466 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@](C)(CO)c2ccc(Br)cc2)CC1 511541258 KRAWJSICNCBHFS-AZUAARDMSA-N 437.382 1.939 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 514329476 HGRBMHFFOXLAGE-QGZVFWFLSA-N 441.528 1.790 30 10 IDEE Cn1c(=O)c2cc(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cnc2n(C)c1=O 520322415 PKLCDYFCSOVLLZ-UHFFFAOYSA-N 428.408 1.943 30 10 IDEE CC(C)OCCS(=O)(=O)NCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542076104 WBQMGRUTALLUFQ-UHFFFAOYSA-N 425.898 1.680 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542727032 CRFFSHFSFUKECN-UHFFFAOYSA-N 438.509 1.874 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)N=c3cc[nH]cc3I)CC2)n1 545513508 ROWAEWDWTROVHQ-UHFFFAOYSA-N 434.241 1.729 30 10 IDEE C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549666121 KZDPGNMOGIFIIV-UHFFFAOYSA-N 428.512 1.641 30 10 IDEE C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC(=O)N1Cc1ccccc1 564530852 IEOOTMPLHFORFX-DNVCBOLYSA-N 426.498 1.142 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1CC 583413471 DOADLSHTQKJPTK-UHFFFAOYSA-N 434.443 1.849 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)c(F)c1 586813659 OZEMBDAOTASXJM-UHFFFAOYSA-N 440.475 1.341 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)c1nnc2n1CCCCC2 620445758 KLVJFHXANDYMHS-SFHVURJKSA-N 443.529 1.824 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(-c3ccccc3Br)n2C)CC1 728530515 ISTKZEIABXJNPO-UHFFFAOYSA-N 443.345 1.962 30 10 IDEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665148 YNYHEJLIOFSVQD-ROUUACIJSA-N 431.518 1.645 30 10 IDEE CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 732798087 XEFKELLOUYTVAV-UHFFFAOYSA-N 429.505 1.743 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 759416557 DOORYGHOLBHRRV-QCPHZMBFSA-N 436.415 1.897 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1C[C@H]1CCCO1 767872096 MCFKLISCIZSTKB-CQSZACIVSA-N 444.582 1.452 30 10 IDEE CCCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771582748 NGSCCCBWYFISJV-OYHNWAKOSA-N 428.489 1.786 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CCN1C1CC1 772492154 WGGAGHYWVQUPEF-NHCUHLMSSA-N 447.543 1.467 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@H](CO)c2cccnc2)c1 806218202 RYUTVUORMRYOAV-UAFKWENTSA-N 431.518 1.792 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)c1cccnc1 807849854 CEOIANVYWLGGKG-QGZVFWFLSA-N 430.530 1.573 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@@H]1CCCO1 814249345 MELODAVZVVUYFS-AWEZNQCLSA-N 436.484 1.279 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc(Cl)c1OC 917355249 XZPXIUNXYOMQTR-AWEZNQCLSA-N 431.901 1.786 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1143720031 LNPVKAJQHNRRDN-HNAYVOBHSA-N 444.561 1.313 30 10 IDEE COc1ccc([C@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Br)c1 1231120514 WELSMSUPVIMTLN-JTQLQIEISA-N 448.277 1.919 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1286473453 SUXNUILIAOAMOQ-DEOSSOPVSA-N 444.624 1.807 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC2(O)CCOCC2)CC1 1286483914 CZMIGWIVHHOQEQ-UHFFFAOYSA-N 439.560 1.716 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1286546024 FLVMWIFHPWDDLF-ROUUACIJSA-N 440.552 1.514 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286712261 UYXCJDIDOXXUJY-QGZVFWFLSA-N 427.571 1.237 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286778433 DKDGUGAJZHDPMP-ULQDDVLXSA-N 437.541 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCSCC1 1286779289 GGBNBWZWBLSQQA-UHFFFAOYSA-N 449.606 1.402 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286821694 SHZZQADTYDRNKN-HDICACEKSA-N 434.518 1.040 30 10 IDEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)n1 1290341450 BRWQQDREKMPRGL-UHFFFAOYSA-N 431.547 1.615 30 10 IDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1)C1CC1 1295164772 CWJNOZJQPBRSJM-UHFFFAOYSA-N 441.517 1.913 30 10 IDEE CCNC(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1296254483 GXGSQRFGEFOGGI-NRFANRHFSA-N 440.483 1.674 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1297585361 CNIFATKSBRCSIG-UHFFFAOYSA-N 433.534 1.779 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1300602013 NLHCNJUYJYSAEF-CQSZACIVSA-N 436.607 1.926 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)[C@@H](C)CC)CC1 1300710792 LLOKEMNAURGWJE-FUHWJXTLSA-N 432.569 1.443 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccn(C)n2)CC1 1300726077 LWDOTXBKQBKIKN-GOSISDBHSA-N 425.537 1.114 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NCC=C)CC1 1300728747 FDDLFFFPAGWWAK-UHFFFAOYSA-N 434.544 1.331 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301047384 GQMULRAOKXXMDW-HNNXBMFYSA-N 427.900 1.548 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1301257612 BUVGAPGDPYJZRD-ZWKOTPCHSA-N 443.552 1.772 30 10 IDEE COCCOC1(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1302124377 QZNNVLDMHHPPLF-OAQYLSRUSA-N 444.511 1.918 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1302464943 HKHGDUYSGZMONC-GOSISDBHSA-N 444.561 1.415 30 10 IDEE CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1302591260 FYXLSBHCFDHOMX-UHFFFAOYSA-N 440.577 1.905 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)cc1 1354563048 HGHLXBHKLRIKFQ-UHFFFAOYSA-N 438.550 1.241 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358877798 KQFLSHMJIHMKIO-HZPDHXFCSA-N 426.477 1.806 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1359007495 LXJDABJEKGEHDZ-UHFFFAOYSA-N 447.543 1.910 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(C)(=O)=O)CC1 1359032706 ZPAFXFSJYDVNMM-UHFFFAOYSA-N 436.969 1.293 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359132565 AJWLJYCCVANLNA-FQEVSTJZSA-N 447.580 1.840 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1c(C)noc1C 1359240916 ZVJDTQVMXFWWPQ-XJKSGUPXSA-N 438.554 1.642 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1359467818 ZJKZRIRKTYRNEI-JXFKEZNVSA-N 439.582 1.739 30 10 IDEE CC1(C)Oc2ccsc2[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1O 1451181051 DEEGSBPTGFQDPR-WBVHZDCISA-N 435.527 1.566 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](N3CCCC3=O)CC2)CC1 1460238430 FKJAYTHCCFSKDE-RBUKOAKNSA-N 429.590 1.934 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 1465665850 JTFZLMDQVUHZBO-SJORKVTESA-N 431.599 1.813 30 10 IDEE NS(=O)(=O)CCCCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1470330509 HOITZMDQNQGYRT-HTQZYQBOSA-N 447.348 1.868 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1471810467 YTMHEJMCAOZULY-IAGOWNOFSA-N 425.526 1.762 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1503266110 FSJBEDLDBSZODK-GOSISDBHSA-N 438.598 1.974 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1)[C@@H]1CCOC1 1503431030 AXOCBYLFWXMSOS-LJQANCHMSA-N 440.548 1.801 30 10 IDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507630808 IBVZGHSJPLZYGF-MOPGFXCFSA-N 435.594 1.139 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1507638224 PPCGZQQCDZCBFA-XHSDSOJGSA-N 446.520 1.674 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](OC)C(C)C)CC1 1507718306 NWCWCANGZXLIGI-FQEVSTJZSA-N 445.589 1.775 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1508000346 XFBANVKHWLMOTO-SFHVURJKSA-N 427.530 1.769 30 10 IDEE C=CCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508067806 QQFLRMZSORUNKN-VGOFRKELSA-N 432.569 1.294 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1508070685 BFKHLQDKNNCYMJ-UHFFFAOYSA-N 449.462 1.072 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1508070947 GSPRQNXSYJMRSX-GOSISDBHSA-N 442.495 1.533 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508085251 FQEIFSTZICZSFL-INIZCTEOSA-N 426.521 1.237 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1508533313 TVKHEELWESXNRI-SYWZAZHRSA-N 441.536 1.064 30 10 IDEE CN(Cc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517148679 PTTRUABHHRCDRT-HTXNQAPBSA-N 439.476 1.270 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)C[C@H]1O 1517690365 OVHPAMJFXFJVGS-QZTJIDSGSA-N 425.489 1.482 30 10 IDEE COC[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1518692557 DNZIQKJJEPTPHC-DKKFBQAASA-N 446.577 1.914 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2c(C)noc2C)CC1=O 1519224693 BDNMEYVNOFWJLC-UHFFFAOYSA-N 449.515 1.959 30 10 IDEE CC(C)C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 1523980669 QRRDYWQCGOWYGN-YQQAZPJKSA-N 440.504 1.422 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1=O 1534984375 NRWATAQWMOVLIT-YJNKXOJESA-N 434.493 1.256 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1539350594 QZFCEQPULZZFSR-UHFFFAOYSA-N 448.545 1.362 30 10 IDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539526727 TVTUNQDHWKCYHG-QGZVFWFLSA-N 428.566 1.062 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1540140608 YPLMZMRXYVMFRP-CABCVRRESA-N 441.579 1.558 30 10 IDEE CC1(C)[C@]2(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC[C@@]1(C)C(=O)O2 1540728322 CBEBJWOYELGMJW-LEWJYISDSA-N 431.514 1.513 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1540873096 MNQVWPJLNKVGHW-LJQANCHMSA-N 435.575 1.248 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1nn(C)cc1I 1545085038 QIMQIDCEAGONMK-UHFFFAOYSA-N 439.257 1.863 30 10 IDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1547549085 HLTDVMYUFMDIPU-RXVVDRJESA-N 445.545 1.372 30 10 IDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1547733178 FZHNZUIVXUGSHI-UHFFFAOYSA-N 441.605 1.413 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCc2ccco2)CCOC1 1547891390 BUNAIFYCHWBIJC-WOJBJXKFSA-N 432.456 1.282 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1555558545 WONGCEPQYXMUOV-MRXNPFEDSA-N 440.570 1.168 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC[C@@H]2CCOC2)cc1 1555988703 MBPMKRYNJBOYCF-ICSRJNTNSA-N 438.532 1.962 30 10 IDEE N#CC1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1555989517 AOEGQGPYDHXHFL-UHFFFAOYSA-N 431.500 1.916 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 1558112283 DUEMWYOEVTXTAJ-ROUUACIJSA-N 440.443 1.862 30 10 IDEE Cc1nsc(N2CCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)c1C#N 1565131566 AQEBOZPYJMXJFP-UHFFFAOYSA-N 438.510 1.142 30 10 IDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1565156159 CXRYOKPJFLFWQL-MRXNPFEDSA-N 443.953 1.793 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)s1 1566639127 QTEQTZRSJKUVBQ-UHFFFAOYSA-N 444.556 1.893 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3c[nH]nc3I)C2=O)cc1 1568508721 UDCXNCCSXWHRMY-ZDUSSCGKSA-N 435.225 1.417 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC[C@](C)(C#N)C3)CC2)c1 1586803906 QSZSZNMDFSRDOU-JOCHJYFZSA-N 446.573 1.679 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1CCCO 1587667986 PYQSNZOQSADVDQ-IAGOWNOFSA-N 430.578 1.574 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C=C)cc1 1587989271 IFZXGKNVCFZCDB-LJQANCHMSA-N 429.546 1.566 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1588024310 AEPGPSIPOBFRAD-DNVCBOLYSA-N 439.607 1.329 30 10 IDEE Cn1c(C#N)ccc1C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1588149003 YNPRKWJGFWGSFO-UAGQMJEPSA-N 429.477 1.551 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1588251463 PEQKEITVGUMGPA-UHFFFAOYSA-N 442.483 1.403 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1588646440 KACSLTDYPPJJFG-HNNXBMFYSA-N 435.550 1.600 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 1588768986 MWROYSQOKHMTPY-UHFFFAOYSA-N 438.557 1.397 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1593884040 AXQDDMQHRMIUKF-PBHICJAKSA-N 428.946 1.494 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCSC2)C1 1595682087 WKNNNLPLGBYTJH-DUXKGJEZSA-N 438.594 1.968 30 10 IDEE COC[C@@]1(C(=O)N2CCc3c(sc(N)c3C#N)C2)CN(C(=O)OC(C)(C)C)CCO1 1603046099 TXAUYGXFVULGMA-HXUWFJFHSA-N 436.534 1.739 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)c3ccccn3)CC2)o1 1611470620 FOFXQMCVHJHXNV-UHFFFAOYSA-N 446.485 1.809 30 10 IDEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1618910515 WFEZEKDHEUEQOJ-UHFFFAOYSA-N 437.504 1.762 30 10 IDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1619171307 DPLSSYFUCQVPIN-NJDAHSKKSA-N 448.608 1.691 30 10 IDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCN(S(C)(=O)=O)C1 1624836834 UHYHJLIVESECFK-SIRSKZSMSA-N 440.566 1.266 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N[C@@H]3CCN(O)C3=O)c2C(F)F)C1 1624906125 AYXPBNMSAWJGSD-NXEZZACHSA-N 430.412 1.118 30 10 IDEE CC1(C)CCc2sc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c(C#N)c21 1626504741 AYSAEBJUGUJOKE-NSHDSACASA-N 434.543 1.948 30 10 IDEE CN1C(=O)NCC12CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2 1627154184 KASOOEVDZUXQSX-ZGOJQLDESA-N 431.537 1.789 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc3oc(=O)n(C)c3cc2F)s1 1629535830 HYBRPOYUSUVOBD-UHFFFAOYSA-N 425.463 1.978 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)s1 1632287049 SBFSNDVRZRJQQY-UHFFFAOYSA-N 436.494 1.817 30 10 IDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)COc1ccc(C#N)c(Br)c1 1636284792 VCVPNJPFOYNGSG-CQSZACIVSA-N 427.251 1.510 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccc(F)c2C#N)C1 1637803677 WLZGFFHMQREZPQ-ZDUSSCGKSA-N 425.482 1.851 30 10 IDEE C=CC[C@@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OCC 1638326617 SNJCAXAVUMDHKC-LJQANCHMSA-N 448.545 1.693 30 10 IDEE C=CCOC[C@H](NC(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC 1639559040 SKVUCGVMBXDBRS-MGPUTAFESA-N 425.482 1.393 30 10 IDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1642068108 KWKKUICZRBKDFL-UHFFFAOYSA-N 443.463 1.315 30 10 IDEE CNS(=O)(=O)c1cc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)ccc1OC 1643986237 ZQRUFOPRXSOIQA-UHFFFAOYSA-N 425.470 1.972 30 10 IDEE C=CCn1cc2ccc(NC(=O)c3cc(S(=O)(=O)NCC(N)=O)ccc3Cl)cc2n1 1646451146 VTEDNGCBEGXHRZ-UHFFFAOYSA-N 447.904 1.892 30 10 IDEE C[C@H](CC(=O)NCC[C@H](NC1CC1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1649120774 LHJPORLHDIIFCM-ABAIWWIYSA-N 432.468 1.693 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1649663581 SMBAZNIFEVWINQ-NRFANRHFSA-N 440.548 1.781 30 10 IDEE CC(C)(C)NC(=O)CN1CCN(C(=O)COc2cc(C#N)ccc2Br)CC1 1652147067 HDYQUONRKHHGHQ-UHFFFAOYSA-N 437.338 1.758 30 10 IDEE C=CCCn1cc(CNC[C@H](O)COc2ccc(I)cc2)nn1 1655513652 INWFQPMPNSQOEK-HNNXBMFYSA-N 428.274 1.988 30 10 IDEE C=CCN(C(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C)[C@@H]1CCS(=O)(=O)C1 1662527799 ATJPMWUWHZWULJ-MRXNPFEDSA-N 434.518 1.991 30 10 IDEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1676627674 ZGUTZNCNHLKAPK-JGCRXCKMSA-N 436.505 1.870 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3CCN(C4CCOCC4)CC3)C2=O)cc1 1686341416 JLIRHRYUXHKICR-QFIPXVFZSA-N 439.560 1.849 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1689892430 FSCJNMFCSXUJEG-GOSISDBHSA-N 441.536 1.643 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1689898120 SSVQSFVEDMZVDY-FQEVSTJZSA-N 435.532 1.834 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1689930090 KLRJZPYHPRBBMP-KRWDZBQOSA-N 448.593 1.320 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690012032 MXXYNNRRQWPEIR-UHFFFAOYSA-N 428.496 1.928 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1690025513 UDKVQWZDZVKJPD-UHFFFAOYSA-N 439.903 1.946 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1690077217 KUKJHUHVYAGBGF-SJORKVTESA-N 439.582 1.801 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690234880 PTGMDTUZSKRWPL-LZWOXQAQSA-N 440.342 1.722 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1690300693 IGNTUMFSSDPIBP-MRXNPFEDSA-N 427.571 1.630 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1690648342 ZGUFRFQFVANVBA-INIZCTEOSA-N 444.540 1.389 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 1690668880 MQHUJGMFVVJPOQ-OAHLLOKOSA-N 437.508 1.928 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCCC)CC1 1690674752 DCEGVYMUPWWSIU-UHFFFAOYSA-N 442.568 1.185 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690675660 AUNRUEAITUGBJE-MRXNPFEDSA-N 437.504 1.088 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1690693461 BBDWVBCXIAIVIM-QGZVFWFLSA-N 433.534 1.061 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1NC(=O)CC1(C)C 1691871040 MXJRKUNHZCDJHF-DOTOQJQBSA-N 437.552 1.693 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)N(C)C 1692720828 FYCAZRPDRONTCY-MRXNPFEDSA-N 425.537 1.771 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693791066 KSRYOXMTSGTRHE-RDCVWBNRSA-N 443.895 1.745 30 10 IDEE CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1695827574 MOJHJZMKBNYADF-LFWLKJPASA-N 427.553 1.991 30 10 IDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](F)COC)CCOC1 1696061042 QPTFQRVBDUKDMB-IERDGZPVSA-N 446.483 1.450 30 10 IDEE CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696425943 FDTCQMGEVKVNEY-GOSISDBHSA-N 444.561 1.562 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696587621 QKHYZRDXMOWUGL-GOSISDBHSA-N 438.536 1.244 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1696618895 MOJWRKVVWUDUHT-GOSISDBHSA-N 425.537 1.487 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1705477248 LGGWOMOKWZHYCE-SJORKVTESA-N 441.561 1.639 30 10 IDEE C#CCN(c1nnc(C)n1CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 1705561709 SKRNZFCDWIFYHP-QGZVFWFLSA-N 447.527 1.878 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705563273 UIZYRAQHCIPBHK-FQEVSTJZSA-N 449.540 1.534 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1705647856 NLIFCLRDBPQPCY-BSRJHKFKSA-N 442.564 1.543 30 10 IDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)COC)CC1 1705789620 QSCWDZNEYHDHAR-UHFFFAOYSA-N 444.536 1.903 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705828564 RLUWJYMTTRQQHR-LJQANCHMSA-N 442.568 1.014 30 10 IDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705892756 FGIYTTKJWCBDNN-OAQYLSRUSA-N 428.468 1.997 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1705932066 JYROKFQPIOJSDD-UHFFFAOYSA-N 425.518 1.787 30 10 IDEE C=CCSCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705950201 UPHBNGVRRYCNQW-LEWJYISDSA-N 435.594 1.954 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1706079347 IUFGNPCTKNSZRY-KFWWJZLASA-N 429.529 1.821 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCCO)cs1 1707764897 IHQDCEREGBPTRN-SFHVURJKSA-N 431.566 1.209 30 10 IDEE C#CCCCn1c(N(CC#C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722339825 YIDWKECGJKRUBN-NQIIRXRSSA-N 434.562 1.359 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCO[C@H](C)C1 1722356954 NIAPAWVNQDFJTA-QGZVFWFLSA-N 430.578 1.840 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC(C)(C)C1 1722377053 NDAAXMADYBIAGM-UHFFFAOYSA-N 445.531 1.104 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1722432943 UIAUJJMHLSDBPY-HSZRJFAPSA-N 438.532 1.922 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(OC)CCOC2)CC1 1722440221 GFUQDQRISWPPMD-XMMPIXPASA-N 439.560 1.633 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722495359 GXKAAVPKZJUHBA-BQFCYCMXSA-N 446.939 1.926 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CC(=O)N1CCOCC1 1722655611 HHQBGOICGWTLKQ-UHFFFAOYSA-N 426.521 1.468 30 10 IDEE C=CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722684828 CMLKGBAUNHZHCO-UHFFFAOYSA-N 425.537 1.410 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H]1C 1722696813 FHTVDWYKOFKADD-CABCVRRESA-N 431.566 1.775 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722698886 OIOYHEZRZJRLHC-GJZGRUSLSA-N 431.497 1.169 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1724018258 PZGZWBTYXXCIRT-HOTGVXAUSA-N 434.566 1.225 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1728645201 GFFIPFQOMMEDAG-HNNXBMFYSA-N 446.577 1.848 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1728697801 ZIGIMOGXWLMDET-IBGZPJMESA-N 440.504 1.901 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1728805954 DSCMXOFIWGOBCI-HCZVTKCGSA-N 430.509 1.445 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1740627510 QWOQURGRGUSIFZ-PKOBYXMFSA-N 432.521 1.986 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2Cc2ncn(C)n2)n1 1740688282 TUTKZGWKAZXMLY-UHFFFAOYSA-N 431.504 1.605 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1740708942 GKSMOAIJDNDEFY-HZPDHXFCSA-N 429.612 1.508 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740787007 WNNBOOYTCWOTPS-KRWDZBQOSA-N 430.553 1.602 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)NC)CC2)cc1 1740965212 FLMRSIKTZPGBNQ-UHFFFAOYSA-N 440.548 1.992 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1741126570 TYQATMALCILQIP-AWEZNQCLSA-N 433.494 1.485 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1741994145 NEDZRPVZBHKVIO-INIZCTEOSA-N 436.520 1.970 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC(C)C)cs1 1742576355 TZFITEZKEOYCLY-UHFFFAOYSA-N 437.595 1.702 30 10 IDEE Cc1nc(CN2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)no1 1742607487 AETODVCWNQTNGP-UHFFFAOYSA-N 436.520 1.991 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1747419959 NDPGJPVNKYGXJS-LPHOPBHVSA-N 428.562 1.924 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1747865365 VLVAWCREASNVAF-DVSFIDLUSA-N 442.545 1.930 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1748690223 OWFRNXPNKBAELB-LUDNOHBGSA-N 430.553 1.985 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1748784399 MIBJYCXKGWNGKQ-HJPURHCSSA-N 436.516 1.845 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn2ccccc12 1748948032 FJLRYCBULFLMEZ-UHFFFAOYSA-N 430.472 1.707 30 10 IDEE C=C(Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1)c1ccccc1 1749246385 BFNFFIVCWWWXML-SFHVURJKSA-N 443.533 1.802 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1749427354 PZZJOMFBKWJTPE-HZPDHXFCSA-N 429.612 1.909 30 10 IDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC(=O)N1CCOCC1 1749627772 YSKMFSLAARYGAC-UHFFFAOYSA-N 448.568 1.874 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749730470 FURRZWBORCNWEL-KRWDZBQOSA-N 446.577 1.744 30 10 IDEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1750652361 GLKWFXANABGEQQ-GHTZIAJQSA-N 445.545 1.401 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1760188075 HEBHCZBKZYBWMN-INIZCTEOSA-N 441.513 1.662 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1760191022 ZLPLHEGSQYNBKJ-GOSISDBHSA-N 427.530 1.005 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1c(C)cccc1C 1760194346 GTIIQIMIUBYTRF-SFHVURJKSA-N 429.546 1.657 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760273564 YHLSTXJXUFSPCJ-ZWKOTPCHSA-N 449.577 1.063 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1760549185 YFIFLKBKXBMAMH-RKVPGOIHSA-N 445.611 1.258 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760713137 KFELHKXUSURGOJ-QHCPKHFHSA-N 435.532 1.838 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766695646 YXOLLIORSSNCNS-QGZVFWFLSA-N 445.549 1.158 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1767859310 GYDUOBDVGPNHTQ-CQSZACIVSA-N 435.444 1.828 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCOC1 1768216268 GWXDBKQGOVUCAL-FXAWDEMLSA-N 431.518 1.246 30 10 IDEE COCCN(CCC#N)c1nnc(C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1771109363 NLLVVPJZVKHYCA-OKZBNKHCSA-N 434.541 1.977 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1771176355 QBBMJOHJGBLZER-VAKVLEPSSA-N 444.536 1.621 30 10 IDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 1855697932 HRXQHXPWHHHSSY-MSOLQXFVSA-N 432.546 1.308 30 10 IDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1)CC2 1857212159 HRAZHBNWEFKMCV-HOTGVXAUSA-N 433.505 1.600 30 10 IDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1)CC2 1857212160 HRAZHBNWEFKMCV-HZPDHXFCSA-N 433.505 1.600 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)C1 1858327246 NTHPPTVQCKEDNR-ZDUSSCGKSA-N 448.482 1.147 30 10 IDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1859011804 QSGINMUEEXUOLS-UHFFFAOYSA-N 431.426 1.615 30 10 IDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2F)C1=O 1863649969 WRKZBCSUELSTQB-UHFFFAOYSA-N 429.473 1.571 30 10 IDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2OC)C1=O 1863769914 UAACHRBPGPXTQC-UHFFFAOYSA-N 441.509 1.441 30 10 IDEE N#Cc1ccc(COc2cn(CCCCCO)c(CN(CCO)CCO)cc2=O)cc1 1870349958 KLYKGQGZTPYDBW-UHFFFAOYSA-N 429.517 1.248 30 10 IDEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870461217 XGGOTTYEMDKYHL-UHFFFAOYSA-N 432.565 1.759 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1891275271 LYAVOAQOQWDYBY-UHFFFAOYSA-N 430.486 1.540 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2060638542 XZHNEESCCCECHG-UHFFFAOYSA-N 432.326 1.896 30 10 IDEE CC(C)(C)OC(=O)NCCOCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243675663 ZGYLCQLUZLARND-UHFFFAOYSA-N 427.332 1.922 30 10 IDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2247833063 AFKNVYQYWWPQQG-UHFFFAOYSA-N 441.359 1.713 30 10 IDEE C[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1nscc1B1OC(C)(C)C(C)(C)O1 2248404016 JPEKZIOBVMEOKP-YPMHNXCESA-N 441.359 1.505 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 2256623814 HANQNHMJVKZCLG-QGZVFWFLSA-N 434.342 1.830 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2256667103 YKBRJQBEPRPCOF-QXSJWSMHSA-N 438.330 1.164 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267177258 LMVCGSXBZZSXJL-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 2267178074 XFFOMRFXMSLZPH-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H]2COC[C@@H]12 2267486681 MZBXUHFFAOMFQE-XHSDSOJGSA-N 448.325 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267871112 LQKRRQUYXYYGAX-HUUCEWRRSA-N 444.341 1.857 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)Nc3ccnc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]21 2268721155 HOTXBWNFJQGYIV-GVDBMIGSSA-N 445.325 1.954 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)OC1(C)C 2270596415 BSGUKDQBSAFJRD-GFCCVEGCSA-N 442.247 1.449 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)n1 2270600236 QUMBQMSGWLDVCP-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334263327 ATIHCHFDDBUPDG-FMKPAKJESA-N 446.357 1.765 30 10 IDEE Cn1nc(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2343636253 QNWGOIJXYYRASJ-FPTDNZKUSA-N 446.357 1.991 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccc(C#N)c3)CC2)cc1 11796591 AWOHPBFZULHDCZ-UHFFFAOYSA-N 442.541 1.839 30 10 IDEE C=CCNC(=O)N1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(C)cc2)C1 34692238 NVXALDGQZGVTMK-NRFANRHFSA-N 430.549 1.366 30 10 IDEE Cc1nnc2c3ccccc3nc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n12 37613947 LQKBOCNPYWVNDK-UHFFFAOYSA-N 433.497 1.969 30 10 IDEE C[C@H]1CN(C(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCN1CCO 427439512 RHUVVNSRPKAYMG-SFHVURJKSA-N 436.512 1.795 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Br)cc2OC)CC1 430277316 FYRYSMVDVKQTEV-UHFFFAOYSA-N 425.327 1.587 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3Cc4cnnn4Cc4ccccc43)C2=O)cc1 470745053 ODGPPRMCJXFVRB-IBGZPJMESA-N 441.451 1.950 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)CC1 470746763 VMYXPCGQEBOAKV-OAHLLOKOSA-N 430.452 1.275 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)n1 479394006 LUFYYYBRTOQVCP-INIZCTEOSA-N 427.526 1.611 30 10 IDEE COc1cc(OC)c(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c1 480514687 MZEIEKVZJBONPG-ZDUSSCGKSA-N 433.486 1.567 30 10 IDEE CCc1cnc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)s1 482378203 DKNKXALROGCDOU-CQSZACIVSA-N 433.559 1.593 30 10 IDEE N#Cc1ccc(N2CCN(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)nc1 497466331 AEBQLSOJKDRBIT-UHFFFAOYSA-N 432.528 1.496 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cccc(OC)c2OC)CC1 508466993 WGKLBFTUOYGNFW-GOSISDBHSA-N 443.504 1.532 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 510345990 JEUZVWTUJWZCPY-CYBMUJFWSA-N 444.488 1.780 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)n(-c2cccc(F)c2)c1C 510658667 OBVFRHKMYROEQF-QGZVFWFLSA-N 433.509 1.796 30 10 IDEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 514835901 VXDFYJVRTDQPRF-GOSISDBHSA-N 446.532 1.934 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 515661234 NDKYGIMAQOBDAG-UHFFFAOYSA-N 430.489 1.036 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 519199625 SWWYVUWKVLQELY-NRFANRHFSA-N 438.507 1.997 30 10 IDEE C=CCNC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 523688253 AMSFFNHYZQDDBJ-UHFFFAOYSA-N 425.511 1.643 30 10 IDEE CNC(=O)c1cccc(OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 535328541 AFNNBAVPGSDWEE-UHFFFAOYSA-N 435.440 1.893 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 549279088 FBEGCSNAGFDCMF-HUUCEWRRSA-N 426.587 1.596 30 10 IDEE CCc1c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 554542296 YQAWJUIJTQRLBN-UHFFFAOYSA-N 432.484 1.287 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 558994997 MFKSLTLZRVSJQD-MRXNPFEDSA-N 427.571 1.440 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO2)CC1 582534698 SIGCWZHHUBLMTM-DLBZAZTESA-N 425.555 1.192 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)COC(=O)c3ccc(-n4cnnn4)c(C)c3)cc21 586267442 CBAMWOVJUYQGDG-UHFFFAOYSA-N 433.424 1.922 30 10 IDEE C=CCOc1ccc(NCC(=O)Nc2nnc([C@H]3CCCO3)s2)cc1-n1cnnn1 586322623 LTCPISDMIREEPT-OAHLLOKOSA-N 428.478 1.981 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccccc1C 603800848 YWZUVAQKLAICBK-UHFFFAOYSA-N 449.532 1.482 30 10 IDEE CCn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1C[C@H]1CCOC1)CC2 619856427 LTXGQDYGROJRJQ-QGZVFWFLSA-N 431.500 1.993 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@@H](C)c1cccs1 729672487 QFOHTYUFIMCKPN-ZDUSSCGKSA-N 435.534 1.477 30 10 IDEE C#CCN(CC(=O)Nc1ccc(I)cc1C)[C@H]1CCS(=O)(=O)C1 731212707 JEWCDLKEQRERSE-AWEZNQCLSA-N 446.310 1.660 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)CCN1C1CC1 732706119 FWTONKDGAVNNQZ-INIZCTEOSA-N 429.908 1.713 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 734294507 RWGJYXCBPGTPIB-OAHLLOKOSA-N 441.465 1.496 30 10 IDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 747858678 GMLQNILBKIGLJF-UHFFFAOYSA-N 433.921 1.819 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 749933564 LPZZOYLBMQNPRR-WBVHZDCISA-N 443.510 1.128 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 763618111 VZSHSHGECZHYLO-AWEZNQCLSA-N 439.497 1.030 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)C3(O)CCCCC3)CC2)cc1 764129404 PGZURQDIBBNEQO-UHFFFAOYSA-N 427.473 1.722 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1cc[nH]n1 772432161 FCSMEIUDCQAEIK-INIZCTEOSA-N 437.460 1.842 30 10 IDEE CCOC(=O)c1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 784181857 QFUMKZLRTGYEGP-UHFFFAOYSA-N 430.438 1.439 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCS(=O)(=O)C1 787371272 VPGFXIDITPAYMZ-DOTOQJQBSA-N 440.363 1.860 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCN1C1CC1 799662430 AMOJMKUROJYNKI-CQSZACIVSA-N 429.905 1.139 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802568107 OAVMHJLYKRQCEC-KRWDZBQOSA-N 440.577 1.991 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812431499 KAQJIEFGMSNYEQ-MSOLQXFVSA-N 429.521 1.696 30 10 IDEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250643 UCLDBLIJWDBJTE-UHFFFAOYSA-N 438.525 1.607 30 10 IDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 857707637 PAYFMCARQWMCRB-FQEVSTJZSA-N 427.549 1.107 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 915606028 VUOQHHVRAJAWCK-IAGOWNOFSA-N 442.541 1.537 30 10 IDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)o1 1083980048 CWDNYBLFWPCHTM-UHFFFAOYSA-N 432.514 1.943 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1138107898 FSBFTNOZRZQAED-CHWSQXEVSA-N 442.563 1.414 30 10 IDEE CCN(CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)S(C)(=O)=O 1141990308 XKKAQXMSQZHEQQ-LFDOHDQPSA-N 442.582 1.561 30 10 IDEE CN1CCC(C#N)(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1144004266 WAGLHQHHZDAUCJ-UHFFFAOYSA-N 435.731 1.468 30 10 IDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1159779399 TVPBQBILENPNOG-HOTGVXAUSA-N 428.551 1.937 30 10 IDEE COc1c(F)cc(CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)cc1S(N)(=O)=O 1184031870 PEQOINXUQXLAHG-UHFFFAOYSA-N 444.300 1.973 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccncc3C#N)CC2)cc1 1189711144 KMNZTFFWBJGGEO-UHFFFAOYSA-N 444.538 1.781 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1286348021 SQJHQJFKBJBZAW-KRWDZBQOSA-N 438.536 1.912 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)F 1286401983 UPOPYAYOWCENBJ-UHFFFAOYSA-N 425.436 1.831 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286439774 BWDDBZYNBLBZBE-HNNXBMFYSA-N 426.477 1.410 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OC)c(OC)c1 1286449632 BBYLQJMMYXBAOG-UHFFFAOYSA-N 427.505 1.934 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CC(OCC)C1 1286449684 CRJIHCBLFQYVDJ-UHFFFAOYSA-N 444.580 1.130 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCOC1 1286462194 GHNUUCXIFBEDSO-QGZVFWFLSA-N 446.577 1.751 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nnc(C)s2)CC1 1286471933 BIZVUBXGDUODOT-FQEVSTJZSA-N 431.566 1.282 30 10 IDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1286511875 PHONALVNDFGUDK-UHFFFAOYSA-N 449.602 1.614 30 10 IDEE C=C(C)Cn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286599138 LNZRXESEHZHTEK-IBGZPJMESA-N 427.571 1.367 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccnc2OC)CC1 1286646689 USMXMPOLOSTWSU-KRWDZBQOSA-N 448.549 1.219 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286700527 IVCSTHGRYIRNPS-RTBURBONSA-N 443.596 1.718 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1286787019 ANWGNKRIKKLYJO-QGZVFWFLSA-N 440.552 1.324 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@@]1(OC(C)C)CCOC1 1286792696 FQQYRIUHRQOZQA-KXYLKDPLSA-N 433.553 1.218 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)C1 1286810401 QTDZJSWINQRCIL-SJORKVTESA-N 441.623 1.010 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cccs2)cs1 1290435711 YPBJHZNORIWQJF-HNNXBMFYSA-N 443.558 1.854 30 10 IDEE C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1291268334 UTADIZUFLIIPEI-CVTQAYBASA-N 439.545 1.732 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 1296092827 IFRHJFVBXMGKLT-UHFFFAOYSA-N 431.387 1.887 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)CC1 1299277425 AKMILKHBCLGTRG-UHFFFAOYSA-N 427.509 1.331 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1300284949 WEWFVZJIAWYLEJ-IAGOWNOFSA-N 431.562 1.527 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1300512625 KZHHVHLMPYHARO-QHCPKHFHSA-N 439.491 1.572 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1300685073 FRKHDCVQGYBOJG-REWPJTCUSA-N 430.597 1.414 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CCC2)CC1 1300722456 JZLGRBNDZHINSF-SFHVURJKSA-N 442.564 1.402 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N(C)C 1300817523 OTVXDXUIMHVDCN-HXUWFJFHSA-N 435.525 1.880 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)C 1300874711 NMPAFRNXBKFKTF-APWZRJJASA-N 441.536 1.867 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1301248697 JVNAISRKJXJGLQ-UHFFFAOYSA-N 426.525 1.666 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1301491290 OEUPUIWMXRUBMD-UHFFFAOYSA-N 448.531 1.336 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301509451 HMMUTAYDSKVDBH-OWCLPIDISA-N 444.561 1.433 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301586110 DLWQXWCOFBKMOW-UHFFFAOYSA-N 427.468 1.464 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2n1CCN(C)C2=O 1303246706 HFGXBWHONOPUQE-GFCCVEGCSA-N 426.905 1.058 30 10 IDEE CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1304002533 SDWOEJCXKBFRFT-KXBFYZLASA-N 433.511 1.222 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1CC(O)(CC#N)C1 1307709097 BDJLIIFLFCKVLT-UHFFFAOYSA-N 436.534 1.159 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC2(CCOCC2)C1 1315063851 BCTJRWLYVGKCKV-UHFFFAOYSA-N 444.561 1.763 30 10 IDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1318156326 MPUKWDUGJHTDTR-XMMPIXPASA-N 448.527 1.886 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2OCC[C@H]2C)c1 1358902587 SQNUICHXNXFJRR-ATZDWAIDSA-N 436.516 1.710 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCS(=O)(=O)C1 1358945968 BRMWJAZDFXBXJV-OAHLLOKOSA-N 440.529 1.086 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnccc2OC)CC1 1359028915 JFECEDLNWDIWRN-UHFFFAOYSA-N 432.488 1.133 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359037037 SDEDJGMJXCYRKQ-QFIPXVFZSA-N 437.592 1.376 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O 1359243623 XVERQNRJMNNIFW-DEOSSOPVSA-N 437.592 1.743 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1359266363 ZETBBTAIPKRECT-XSLAGTTESA-N 438.532 1.402 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1359303829 BXZUDOSPJQOTEO-ZWKOTPCHSA-N 430.553 1.346 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 1359334098 SKLFBQVELCFMIY-UHFFFAOYSA-N 449.577 1.700 30 10 IDEE N#Cc1c[nH]c2cc(C(=O)N(CCCN3CCOCC3)[C@H]3CCS(=O)(=O)C3)ccc12 1443496294 YUJKXZZTSVGHMR-SFHVURJKSA-N 430.530 1.391 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cc(C(=O)OCC)nn3C[C@H]2C)cc1 1455915531 KJTSROVZSDBSFX-CQSZACIVSA-N 430.486 1.016 30 10 IDEE NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1456512978 RCFYKJSVODAMBZ-UHFFFAOYSA-N 429.292 1.574 30 10 IDEE C#C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC)C1CCOCC1 1457949929 MPYQASCLKPHEHW-MRXNPFEDSA-N 427.505 1.501 30 10 IDEE C#CCN1CCCN(C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1465278444 LAPLEQYXYUPQLZ-TZIWHRDSSA-N 433.574 1.101 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)OC 1475577733 AEHKPFQHHBNUOY-LBPRGKRZSA-N 440.337 1.639 30 10 IDEE CSc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1C#N 1479311917 CILYOMPVRNCVJM-QGZVFWFLSA-N 438.575 1.616 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCN3CCOC[C@H]3C)CC2)c1C#N 1492726941 BSHOJXXSTSXQOX-QGZVFWFLSA-N 441.584 1.362 30 10 IDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1494589685 GSPBBTGBGKVUDS-QGZVFWFLSA-N 440.504 1.203 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO 1499306791 FQJULDRLKOVQJD-UXHICEINSA-N 437.548 1.378 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C#N)o1 1503441494 WZWWFMJDLWFHFI-UHFFFAOYSA-N 438.463 1.816 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1507634848 QCDOQRCVFYDZLD-GOSISDBHSA-N 444.561 1.642 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1507711986 OHBCMFOSQXXLMD-RAUXBKROSA-N 439.560 1.760 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC(C)C)CC1 1507853077 GTEGGAQSZCRSCA-HNNXBMFYSA-N 434.994 1.188 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1507954369 MBZYMCDOPANPID-LJQANCHMSA-N 447.561 1.846 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1508001538 UZXFAOHUZUYVKZ-OAHLLOKOSA-N 430.538 1.258 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1508040533 YVLPLKQWFPOVAO-NYUBLWNDSA-N 438.594 1.760 30 10 IDEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1)OC 1514331058 GJTAVSATJSAIKG-LJQANCHMSA-N 426.521 1.927 30 10 IDEE CN(C)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cn1 1517003156 FVYHZUWWOBAASQ-SFHVURJKSA-N 443.577 1.820 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)C[C@H]1O 1517687244 BOXHDWVULHUSDS-UAFMIMERSA-N 439.516 1.992 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519523976 SAIKSXXEWHRDJZ-QGZVFWFLSA-N 445.505 1.074 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3ccc(C#N)cc3)CC2)cc1 1531664091 GFJTZSOPGOWXOG-UHFFFAOYSA-N 442.541 1.378 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(O)CCOCC2)n1 1539423022 PGPKICNSKDESBP-UHFFFAOYSA-N 430.553 1.600 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1539451798 AASBXIPVWNWQAT-JOCHJYFZSA-N 428.487 1.381 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)CC)CC1 1539461416 FRBPEOZRIIOLEE-UHFFFAOYSA-N 435.525 1.186 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1539848750 XWVWBXFCJLXFCM-QGZVFWFLSA-N 430.534 1.276 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1540833560 RTUJVEKVTOYTGX-KTKRTIGZSA-N 442.541 1.397 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](SCC)C1 1540871597 PEHBQTFDEHIBEO-HZPDHXFCSA-N 441.623 1.594 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1540913213 PPELEANDHLXKAP-UHFFFAOYSA-N 439.611 1.458 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=CCS(=O)(=O)C2)c1 1543195512 JUKFUYCETZHZRD-LVZFUZTISA-N 425.532 1.573 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1545695668 AVBVLEYZWVZNID-ZIAGYGMSSA-N 429.481 1.039 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1554128769 OYYHVELTOYLZPT-JOCHJYFZSA-N 426.521 1.973 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)CC1 1558072697 ATVFBMOMVKWWMO-UHFFFAOYSA-N 440.319 1.729 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2Cc3ccccc3OCC2=O)s1 1558300586 PDSCWJLMZYGLKX-UHFFFAOYSA-N 449.554 1.292 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)C2)nc1 1558464062 CQAMULSVYCKGBO-QFBILLFUSA-N 435.463 1.615 30 10 IDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1558464269 FLKUHANUWWQRLH-UZLBHIALSA-N 449.433 1.988 30 10 IDEE N#Cc1ccccc1COc1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1558805615 ROLMNLIRQWNEML-UHFFFAOYSA-N 427.420 1.968 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC2(C#N)CCOCC2)C1 1565335513 AFAMRJQWTBKNTI-HNNXBMFYSA-N 444.554 1.030 30 10 IDEE CN(C)CCn1c(O)nc2ccc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cc21 1584638231 SYEONJWSWODLAP-UHFFFAOYSA-N 433.516 1.969 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)s1 1585781041 XPDSYCYIQHGITD-GFCCVEGCSA-N 439.481 1.377 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1587898668 UDEMYEVLZLXCGN-SQNIBIBYSA-N 439.582 1.181 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N1CCOCC1 1587984900 NNRXNAFNDGMACR-UHFFFAOYSA-N 446.552 1.321 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1588140635 ZKKJKIRIFIFKKM-HOTGVXAUSA-N 441.504 1.119 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1588258876 KPLNRRVLZJLKME-CALCHBBNSA-N 438.536 1.689 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1588732486 BJDMKZNLIFGYCD-WJOKGBTCSA-N 442.589 1.098 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589059637 HFZGDKYATDOTEA-IERDGZPVSA-N 446.577 1.701 30 10 IDEE C#CCSCCn1c(COCC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1589117352 YTPGTUCOCBHWTR-UHFFFAOYSA-N 432.550 1.876 30 10 IDEE CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C#N)C1 1595208791 ASIFAXOTXXPYRT-XJKSGUPXSA-N 447.966 1.184 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1595537412 QPXMETJDKZGDAD-UHFFFAOYSA-N 429.546 1.900 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595562266 RXPDLWBENROOPI-QGZVFWFLSA-N 425.537 1.259 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(COC)CC1 1595759647 GYQVLPQYGRMDNF-UHFFFAOYSA-N 427.571 1.270 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1595761346 ZYNKCLGACYMXAC-ZDUSSCGKSA-N 427.552 1.032 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1597769645 KZFYEWFDQLANOY-BRWVUGGUSA-N 443.566 1.768 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](OCCOC)C2)C1 1616571013 FHTOVBDHXCWUFX-UDTLNKQYSA-N 441.532 1.988 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1617696978 HROCOUZXBVBEGW-RTWAWAEBSA-N 440.548 1.779 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1617799111 BVHQCCFZBBXADG-UHFFFAOYSA-N 447.565 1.059 30 10 IDEE CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1618848385 WWMYMQVTWNSVTK-ROUUACIJSA-N 448.549 1.059 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)C1 1620053416 LPTKQXUANJMABM-GHTZIAJQSA-N 440.548 1.779 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)C1 1620054260 GQOCTYIWOKEYHL-RXVVDRJESA-N 440.548 1.779 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@@H]2CCC3(CCOCC3)CO2)n1 1622096986 IVAWFOSWBHTYHT-IBGZPJMESA-N 425.551 1.270 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 1623722494 YNYOBERNQSVWII-IKGGRYGDSA-N 430.567 1.898 30 10 IDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1626676773 GGWCSQDUZIWBCP-GOSISDBHSA-N 433.921 1.714 30 10 IDEE N#Cc1cn(CCC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c(=O)nc1O 1627355933 GQTQZZWBCBSVIC-UHFFFAOYSA-N 429.908 1.892 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1627800437 UIGZZEJERGUBDI-QZTJIDSGSA-N 435.569 1.442 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)cc1 1628667528 QXHKQAZWTDOAPD-IBGZPJMESA-N 425.510 1.633 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OCC 1632067414 RJABQWOIHZHGIG-RDJZCZTQSA-N 444.937 1.948 30 10 IDEE C=CCOc1ccc(/C=C/C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)cc1OC 1640375243 RELLPVSXAUTDLN-SYJIQKIWSA-N 425.489 1.672 30 10 IDEE C=C[C@@H](C)ONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1640635440 QWWCQADCQAOBOK-OAHLLOKOSA-N 436.534 1.632 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1648542163 GMLMUDXSKYNRAV-KRWDZBQOSA-N 431.489 1.402 30 10 IDEE CC(C)N(CCCNC(=O)CN[C@H](c1cccc(C#N)c1)C(F)(F)F)S(C)(=O)=O 1655409394 FTYKNWGWLACLEQ-QGZVFWFLSA-N 434.484 1.928 30 10 IDEE C#CCC1(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCC1 1655670452 VHTYOXHJWIJOJO-UHFFFAOYSA-N 425.938 1.835 30 10 IDEE N#C[C@]12CN(C(=O)NC[C@H]3CN(c4ccc(Cl)cc4)CCO3)C[C@H]1CS(=O)(=O)C2 1684025177 FRBWLBXKUKJDLS-UCLAIMLFSA-N 438.937 1.125 30 10 IDEE C#C[C@@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)[C@H]1CCCO1 1686184479 JLIZMCXQYRHPNQ-FGZHOGPDSA-N 426.561 1.837 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1686525940 QPXMWTGXWBBOKX-OAQYLSRUSA-N 434.544 1.733 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1cccs1 1689966611 XCXGERATMOIPRO-OAHLLOKOSA-N 437.591 1.720 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1689986219 LDMZGFPGPGJJLU-SFHVURJKSA-N 431.562 1.727 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1690034860 UOEWBXSBYALGKQ-QHCPKHFHSA-N 427.549 1.842 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1690059533 RKDAQJXEFAJDNP-QGZVFWFLSA-N 441.561 1.641 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1NC(=O)CC1(C)C 1690098693 RGLNPTVSTYWZSQ-IBGZPJMESA-N 439.516 1.717 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC2(O)CCC2)CC1 1690133389 FHYOOQVTSPNFSB-UHFFFAOYSA-N 425.533 1.926 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690306600 YIKHZWXXJMVFNL-KRWDZBQOSA-N 442.520 1.769 30 10 IDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690491546 DKXUCYVPQHDORQ-OAHLLOKOSA-N 429.550 1.792 30 10 IDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1690507448 MPBXZAJDOBDSLY-OAHLLOKOSA-N 437.504 1.096 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1690659536 VYGYHXIUBBNPFX-QFIPXVFZSA-N 426.521 1.125 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1690670107 ZBPJGJOFZRXHNN-OAHLLOKOSA-N 428.541 1.676 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690715042 BIXNWBBFASNFAE-UZLBHIALSA-N 436.582 1.878 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)CC1 1690722444 JPNIXTKQFRDWIG-UHFFFAOYSA-N 432.472 1.558 30 10 IDEE C[C@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CCO1 1693579709 IAUFUBISMOCUAO-HKUYNNGSSA-N 438.532 1.927 30 10 IDEE CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1694545263 HYXZTAYPTWACNC-VXKWHMMOSA-N 428.512 1.928 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1698106952 HTRICMJBUDMPNR-UHFFFAOYSA-N 438.532 1.711 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705532512 OMEMWFZBUJTFAE-ZIAGYGMSSA-N 447.483 1.098 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1705560790 NLKUNRFXIBKSAT-PGRDOPGGSA-N 428.558 1.862 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705565809 WJFSACZSGBRKLQ-INIZCTEOSA-N 444.561 1.129 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1705566361 MZODFTFLNDJRKY-NSISKUIASA-N 444.557 1.510 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCC2CC2)CC1 1705650172 MKHBJNAVEXZPKW-UHFFFAOYSA-N 426.565 1.503 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705702332 GWFWAIPWUKANFM-XYJFISCASA-N 429.525 1.937 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC)CC1 1705705439 HTLINXYYHSUWMI-ICSRJNTNSA-N 425.537 1.707 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705748135 DGHFDRWKAKBRQC-HNNXBMFYSA-N 434.913 1.297 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1705829870 DPZAOPZPPOWIHS-LJQANCHMSA-N 447.561 1.898 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOCC1(C)C)C1CC1 1705849026 AIDASKMOELCMPP-HNNXBMFYSA-N 426.587 1.154 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1706748247 HFEOBAYRNKFUCK-WMLDXEAASA-N 430.534 1.614 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](COC)C2)c1=O 1710190012 GLANDWYGIJPWKV-FQEVSTJZSA-N 434.500 1.898 30 10 IDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1711019570 GQADNDFKKBPXEB-RBUKOAKNSA-N 444.561 1.713 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1712249250 RPFSIMRAIRPRLY-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1712422732 CWFGDSSYLKEFQM-UHFFFAOYSA-N 448.531 1.051 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722372168 QPGFRWNTQDUCPI-PLMTUMEDSA-N 436.578 1.177 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1722442654 XRUJXOXXFHTOMN-UHFFFAOYSA-N 437.953 1.310 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722482498 AYDGMEQXLKXLPY-QWQRMKEZSA-N 440.342 1.912 30 10 IDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(S(C)(=O)=O)CCCC2)CCOC1 1728760403 FMVLLEBYIRPSNK-JXFKEZNVSA-N 439.582 1.883 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H](C)C1 1730763115 CNHQHWXWRDSION-GVDBMIGSSA-N 425.555 1.362 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](n4cncn4)C3)n2CC(=O)NCC(F)F)cc1 1731180850 IFOPXCCKLZPUEJ-MRXNPFEDSA-N 441.446 1.631 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1740619968 BBVOBRIWJQEVMG-MRXNPFEDSA-N 446.577 1.073 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1740625208 DQDFKAMWYVSHSY-SJORKVTESA-N 426.608 1.940 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740626104 JORKCUODPLJDPZ-WMZOPIPTSA-N 433.534 1.800 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1740679699 HIRHAIWSDLFGQU-MRXNPFEDSA-N 447.561 1.348 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1740686355 RHPZYHBGKBBIDU-QKLQHJQFSA-N 428.489 1.417 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740969889 XJZMGGKOQRKOTA-LPHOPBHVSA-N 438.532 1.899 30 10 IDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1741000334 OTMIBHKBIGXIJR-AWEZNQCLSA-N 441.561 1.811 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741303728 BJSDVSNVEWSMQU-GCJKJVERSA-N 425.537 1.782 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CC1 1748649949 VHRCXPCAOHUADD-WNNBVUDTSA-N 449.602 1.564 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccnc2OC)CC1 1748972245 DKUJMHZIDXORQF-UHFFFAOYSA-N 432.488 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1749008538 BMWTZCUEAAAMAZ-UHFFFAOYSA-N 433.578 1.479 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCn1cc(Br)cn1 1749595797 JPOGWUOJUJVNRQ-UHFFFAOYSA-N 435.330 1.977 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCCO1 1749655619 NFPWVSCDFVQGEH-KRWDZBQOSA-N 447.561 1.656 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749658630 SBNWCJAJCQKUEI-LJQANCHMSA-N 426.521 1.151 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H]2C)C1 1749698705 WUNJWOGQPYUIRD-BRWVUGGUSA-N 426.587 1.154 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1750386319 JDPXTKZCVGZBBR-RBUKOAKNSA-N 440.504 1.774 30 10 IDEE CC(C)(C)OC(=O)N1CC(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1750488604 CHZGJJRLGIWNEH-GOSISDBHSA-N 439.520 1.860 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1751313637 MLKRRDQHPMNXBL-UHFFFAOYSA-N 447.499 1.817 30 10 IDEE C#CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC)[C@H]1CCS(=O)(=O)C1 1760183995 SIWAKLVTDYCBTO-INIZCTEOSA-N 436.559 1.385 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1(C)C 1760243063 URGJSRSTSALBSN-LSDHHAIUSA-N 429.612 1.506 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1760245466 FMSLRJXKWLRYPK-UHFFFAOYSA-N 427.530 1.870 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2csc(CC)n2)CC1 1760270382 WDMYYBJAHHIMRZ-MRXNPFEDSA-N 428.562 1.815 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCCS2(=O)=O)CC1 1760273563 YHLSTXJXUFSPCJ-QZTJIDSGSA-N 449.577 1.063 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)C 1760336993 LITFOHYPFIAIPK-DLBZAZTESA-N 429.587 1.684 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCOC 1760521532 WIDJNDCFMJQSMP-UHFFFAOYSA-N 425.493 1.060 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1760549373 CXKOMQRIUHKOJY-XUZZJYLKSA-N 441.576 1.920 30 10 IDEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1761751769 ZWZCTPUTOZOESA-ZWSWSHGQSA-N 425.424 1.815 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1767117560 HBHMFGIRCFPDEH-XUTLUUPISA-N 430.472 1.898 30 10 IDEE CC[S@@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768323542 GEIKKLFBOBFUDU-WTPASJBYSA-N 443.577 1.534 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1)[C@@H]1CCOC1 1768576421 BBOXYVYLMMHFJU-QGZVFWFLSA-N 436.472 1.977 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1769896065 GUJYPHJHCKDOFV-UHFFFAOYSA-N 432.550 1.020 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C[C@@H]1C 1769899607 GCUSDHCYJVXZAV-FDDCHVKYSA-N 440.548 1.779 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCOC1 1771196190 YWTSDRNJCSYHMY-JKSUJKDBSA-N 442.520 1.964 30 10 IDEE Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCO[C@@H](C#N)C5)n4)ccn3n2)cc1 1848555025 AUYNGIQNVWLQOX-KRWDZBQOSA-N 431.456 1.627 30 10 IDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H](N1CCS(=O)(=O)CC1)C(C)(C)C 1851722923 PIIGRJSEDICCLU-BBRMVZONSA-N 441.985 1.766 30 10 IDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 1853019795 UDCGIFMYFSWRCY-RBUKOAKNSA-N 427.505 1.681 30 10 IDEE C=CCC1(S(=O)(=O)N(Cc2cnn(C)c2C)[C@H]2CCc3nn(C)c(=O)cc3C2)CC1 1853422598 GSIUIFZSWLNNST-SFHVURJKSA-N 431.562 1.620 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)cc1F 1853830078 GVUIOYACVXAWET-UHFFFAOYSA-N 431.445 1.688 30 10 IDEE Cc1c(Br)cncc1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856118822 SQVAYOYQIOQJHN-UHFFFAOYSA-N 429.296 1.069 30 10 IDEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870560863 OWSRNADYSOLJBF-UHFFFAOYSA-N 436.556 1.515 30 10 IDEE C=CCNC(=O)Cn1c(C)nc(I)c1I 1928099353 WLDDZVIBQKGTKC-UHFFFAOYSA-N 431.015 1.703 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010512649 CPJZQJOYUSZACZ-ROUUACIJSA-N 432.496 1.543 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC(CO)C1 2018339956 GNFRVSJBEQZROE-FAGJFJLWSA-N 438.525 1.624 30 10 IDEE CC(C)(C#CC(=O)NCCn1cc(I)cn1)NC(=O)OC(C)(C)C 2023963210 AUEWMJUEAOCCOK-UHFFFAOYSA-N 446.289 1.911 30 10 IDEE C[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2255533998 ASXCXVUDRXBTDI-ZYHUDNBSSA-N 447.288 1.971 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255650523 PYTQASBYOVEYOH-LSDHHAIUSA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2255665307 DSMMLZLAOMLYGM-CABCVRRESA-N 436.314 1.991 30 10 IDEE C[C@H]1[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1Cc1ccccc1 2255672859 MIBFFDZDNSOGLL-DOTOQJQBSA-N 425.342 1.507 30 10 IDEE Cc1c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823064 RNOFTHSJONFVMM-KBPBESRZSA-N 434.346 1.813 30 10 IDEE Cc1nn(C)c(C(=O)N(OCc2ccccc2)C2CNC2)c1B1OC(C)(C)C(C)(C)O1 2255828757 GSWXUFOGMDVFAX-UHFFFAOYSA-N 426.326 1.574 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(NC(=O)OC(C)(C)C)C1 2255828907 YUDQFZFMEHHBAM-UHFFFAOYSA-N 434.346 1.941 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1 2255830177 BFXSRZCAGMCSRU-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256066527 DDCYBPPCWYVPDR-QGZVFWFLSA-N 427.310 1.426 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)OC(C)(C)C 2267269274 CWMQRHUHHVJHTN-HZPDHXFCSA-N 449.357 1.424 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2272637755 YSHDMJASHPKWHC-JLCFBVMHSA-N 446.357 1.706 30 10 IDEE C=CC[C@]1(CO)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2287685035 BXUSBJDBPCYFNX-XLIONFOSSA-N 440.518 1.045 30 10 IDEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc1OC 59310843 RNYYFJOZSLIETG-DNTJNYDQSA-N 430.494 1.410 30 10 IDEE CCNC(=O)C[C@@H]1S/C(=N/c2ccc(C(=O)OCC)cc2)N(CC(=O)OCC)C1=O 101613818 IHJVXYSZHSGBIK-OOHXQLJPSA-N 435.502 1.884 30 10 IDEE Cc1cc(N2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)n2ncnc2n1 435124847 BAJNQYMDFGBKHZ-UHFFFAOYSA-N 428.504 1.927 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)CC2)c1C#N 436609717 SEHSKCPPZZKWJM-KRWDZBQOSA-N 425.514 1.982 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 492785323 SSVVFQGWXNOKEU-HKUYNNGSSA-N 436.516 1.737 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 502560192 YOROWUSCPWXITG-SFHVURJKSA-N 433.530 1.475 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 505620393 OCDCSPITIUHJJC-QHCPKHFHSA-N 443.507 1.683 30 10 IDEE CN(C)C(=O)CN(CC(=O)NC1(C#N)CCCCC1)CC(=O)NC1(C#N)CCCCC1 507344849 DAMCUPAHRIXYJL-UHFFFAOYSA-N 430.553 1.062 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)c(C)c1 514523449 CGQRCJVLNKVERV-IBGZPJMESA-N 439.581 1.981 30 10 IDEE COC(=O)CN(Cc1ccccc1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 522232888 WZDCHMXSVMCBKX-IBGZPJMESA-N 434.452 1.965 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)s2)c1=O 532419521 ZINDPIHQZMEAQP-UHFFFAOYSA-N 446.550 1.805 30 10 IDEE C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCN(c2cccc(C#N)n2)CC1 544835276 GXPRTHMISUAMTK-DEOSSOPVSA-N 444.495 1.601 30 10 IDEE CN1CCN([C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c2cccs2)CC1 546216503 JIVYMIKFLJKOCO-IBGZPJMESA-N 439.589 1.835 30 10 IDEE Cc1nsc(N2CCN([C@@H](C)C(=O)NCCc3ccc4c(c3)OCCO4)CC2)c1C#N 562051990 AORZXGJSDJYKNC-INIZCTEOSA-N 441.557 1.964 30 10 IDEE CC(C)c1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO1 572703193 BAEZKKGYUHVEFU-GOSISDBHSA-N 444.561 1.963 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 573963747 CVRLMQWCJKCMND-KRWDZBQOSA-N 433.534 1.365 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCO2)CC1 582534700 SIGCWZHHUBLMTM-IRXDYDNUSA-N 425.555 1.192 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1=O 645086920 WSJYKJOFCNHYHY-UHFFFAOYSA-N 435.362 1.661 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCOC1 676727096 OPBVSQZLEMBXSM-CYBMUJFWSA-N 425.535 1.752 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 685550929 XVSKHKCCZMPJLK-NVXWUHKLSA-N 435.554 1.044 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730144270 ZCPPZNORVJVMAK-AEFFLSMTSA-N 447.605 1.827 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(Br)cc2F)CC1 734276148 WDVZUCQKWHXXRX-UHFFFAOYSA-N 427.318 1.760 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCOCC)c2=O)cn1 735069142 MGNVWPJEGQIQKS-UHFFFAOYSA-N 428.558 1.815 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1SC(F)(F)F 737305105 FBHCUHFSNWWOIE-BUHFOSPRSA-N 428.392 1.880 30 10 IDEE N#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C1CC1 747650264 XMZIWENWDVTXPC-UHFFFAOYSA-N 428.308 1.598 30 10 IDEE CC(C)C(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754773270 TWIVCOJQVUSJJS-AWEZNQCLSA-N 428.308 1.773 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)[C@H](C#N)C1 755538711 SZWWAGVOGNHOTC-CRAIPNDOSA-N 443.504 1.337 30 10 IDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)cc1F 769666934 HZCCHNWXXYMJEU-UHFFFAOYSA-N 427.479 1.946 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C2CC2)C1 772597804 BZJIBLDOECVENJ-BQASMSSTSA-N 433.509 1.696 30 10 IDEE COc1cc(CN2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1OC 780960745 ODTWOWDGVDFALD-NRFANRHFSA-N 425.485 1.962 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)C1 806782344 XWOHBFQZOYMNDM-CRGRJFMMSA-N 447.536 1.945 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCO3)n2Cc2ccccc2)n1 812053941 CWGNAOYBBFKMOM-OAQYLSRUSA-N 436.516 1.897 30 10 IDEE CN(c1ccc(OCC(=O)N[C@H]2CCN(O)C2=O)cc1)S(=O)(=O)c1cccs1 816691467 RRIHBZLJQGJREL-AWEZNQCLSA-N 425.488 1.058 30 10 IDEE CN(CC(=O)Oc1c(Br)cc(C#N)cc1Br)S(C)(=O)=O 1130144580 SNLQCJMLZFZUEG-UHFFFAOYSA-N 426.086 1.880 30 10 IDEE COC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1130887646 SKAJYISOQMWJOH-HXUWFJFHSA-N 435.546 1.517 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1142749416 YCCAFDREAQSBPA-KRWDZBQOSA-N 437.541 1.606 30 10 IDEE Cc1cc(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)ncc1C#N 1175428628 REOJSYLPWQZBEQ-JQHSSLGASA-N 441.488 1.916 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1286370068 ZGGSUKVAIKLAOU-UHFFFAOYSA-N 435.532 1.372 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1286376102 FMSRGOONTHUZMQ-LJQANCHMSA-N 443.573 1.780 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1ccnc1C 1286410114 WRVCUCJQODAECY-UHFFFAOYSA-N 440.511 1.953 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1286447056 IMXFGWAGHZPRFB-KRWDZBQOSA-N 439.582 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286490048 KBEHYGJPPFWTRE-MRXNPFEDSA-N 444.561 1.064 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1286553738 FYBHYDIGESKADI-RYRKJORJSA-N 432.525 1.489 30 10 IDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C(C)=O)CC1 1286728746 FROOUDPYXGFGJH-UHFFFAOYSA-N 431.566 1.056 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1286916093 FGXPTLLUGHYSNC-UHFFFAOYSA-N 442.545 1.499 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1=CCCCC1 1288862412 JKNWHUTYZAQTCH-CRAIPNDOSA-N 433.582 1.565 30 10 IDEE C=C(C)Cn1c(SCC(=O)NCCS(=O)(=O)N2CCCC2)nnc1-c1ccco1 1289287775 MBRCPJQRNRWOBT-UHFFFAOYSA-N 439.563 1.748 30 10 IDEE Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1290304130 JUECMEGETWTIGW-RHSMWYFYSA-N 447.565 1.323 30 10 IDEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)CC1 1291183845 HBQOYONZDWHSEI-UHFFFAOYSA-N 445.593 1.534 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)CC1 1292889917 PDCVHXNSHBHVLD-UHFFFAOYSA-N 446.552 1.249 30 10 IDEE CC[C@@H](O)Cn1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nn1 1293136038 BSJSWXGWISJESY-SJLPKXTDSA-N 447.337 1.834 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1297993271 PUMYKAQPQSEVRH-GOSISDBHSA-N 449.519 1.640 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300498936 OETASYWXDGGWOD-IBGZPJMESA-N 447.580 1.975 30 10 IDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C1CSC1 1300610206 LRTGQNFZPNHOSG-GOSISDBHSA-N 436.331 1.793 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1300654871 KDBKCEIPLIGLCE-UHFFFAOYSA-N 448.527 1.861 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCCn1cnnn1 1300656966 RBSYYWFIFYPJMT-UHFFFAOYSA-N 445.325 1.870 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCn2cc(CO)nn2)CC1 1300701658 YJCYBIQAIXWQAI-UHFFFAOYSA-N 434.548 1.107 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1300760387 AEAILKUIJAODMB-RCCFBDPRSA-N 435.594 1.516 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1C 1300915360 NTUOMBRCRZSGRD-KRWDZBQOSA-N 437.570 1.104 30 10 IDEE COCC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301447309 BJVBASJEMCTYLE-AOMKIAJQSA-N 440.552 1.710 30 10 IDEE CC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1305315452 LASPGSXOSJWEAN-VELBRHGASA-N 442.520 1.698 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1314483415 HDJXHXPIBCCLMJ-UHFFFAOYSA-N 437.548 1.598 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1314520191 AMKBPAXNQQAIAX-MGPUTAFESA-N 433.534 1.228 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 1319390990 LEXNJIVKENYCAE-INIZCTEOSA-N 436.537 1.712 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)ccc1F 1320167820 ZAMFREOMGLNMLT-OAHLLOKOSA-N 443.500 1.018 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC=C)C1 1358913005 CXDASVYYSUGPRZ-MSOLQXFVSA-N 437.566 1.196 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 1358949218 VZQCLTFEISOELH-UXHICEINSA-N 427.574 1.914 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358966712 VDLJXIGECFIYIS-GOSISDBHSA-N 445.520 1.635 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1358994434 NGJKSDVSZMBETI-AZUAARDMSA-N 429.590 1.660 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCOC1 1359022789 MRVGBAVTAILXJG-QGZVFWFLSA-N 446.577 1.751 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359023854 YJNKLMLCBRYLSV-OALUTQOASA-N 435.594 1.836 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359121432 PGQCLCDWKQSOHJ-RTBURBONSA-N 431.585 1.037 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCOCC1)C1CC1 1359246814 MCGKDYRLKMKVAM-OAHLLOKOSA-N 426.587 1.154 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1359256874 SLCWVYCTRBWKJT-JOCHJYFZSA-N 441.557 1.844 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1446928339 VQXGFQVDZAGJHB-KRWDZBQOSA-N 427.567 1.015 30 10 IDEE C#CCN(C(=O)c1cc(Br)nc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1456080467 CRFDMRDXKDMZIA-SNVBAGLBSA-N 436.125 1.869 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 1466111027 VPNRTYOWSJILCH-INIZCTEOSA-N 432.468 1.345 30 10 IDEE COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466413696 PSEICVBPGDCROU-JXRXQSRMSA-N 435.521 1.952 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(CC(F)F)CC1 1468599559 JZEKPKVIJFRTRJ-UHFFFAOYSA-N 428.505 1.599 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2C[C@H]21 1472204162 XLVYOGLLHZCPBP-HUUCEWRRSA-N 434.518 1.335 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1 1472595178 QEDZWCYIMQHYKQ-QGZVFWFLSA-N 431.489 1.350 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[C@@H]1CCOC1 1503102067 AQFKGQMPLYWWSP-QGZVFWFLSA-N 428.541 1.481 30 10 IDEE COc1cc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)CC#N)ccc1OCCO 1504089471 CXLFQKLUBPEIHO-HNNXBMFYSA-N 425.493 1.845 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1507523827 QEVYFOVBODPKNF-BQOWYSNXSA-N 425.880 1.978 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1507630957 KDFGNRNHSLUYDC-KRWDZBQOSA-N 426.502 1.620 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(SC)CC2)CC1 1507741038 JWDZWANUYFRMBS-ROUUACIJSA-N 447.605 1.864 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1508105232 MTBCEYNRDKRMTI-KRWDZBQOSA-N 426.521 1.731 30 10 IDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1508827542 MCLXACCTTYXUHF-HDICACEKSA-N 426.477 1.062 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1509803524 CCCNDLHVKPMCKX-NHCUHLMSSA-N 436.532 1.923 30 10 IDEE Cc1ccccc1OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1511344799 LTNWONXSLVKUPN-SJORKVTESA-N 448.549 1.395 30 10 IDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)n(C)n1 1511649746 BFPVASZGOJOBNP-UHFFFAOYSA-N 434.504 1.378 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)ccc1F 1531618338 PXJRELPTRVMXFZ-LJQANCHMSA-N 428.482 1.521 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1=O 1534984374 NRWATAQWMOVLIT-XGUBFFRZSA-N 434.493 1.256 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1539089117 IITSQQQGIUBFEI-INIZCTEOSA-N 440.552 1.973 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC(F)F 1539150018 YNUYTXNJLOFTBM-GFCCVEGCSA-N 428.465 1.045 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)c1ccco1 1539167655 HTQLCSADXGGWCZ-FQEVSTJZSA-N 428.518 1.808 30 10 IDEE C#CCN(c1nnc(C)n1Cc1cccc(OCCCOC)c1)[C@@H]1CCS(=O)(=O)C1 1539206064 MIANILBYZOQFDY-LJQANCHMSA-N 432.546 1.677 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1539216518 TXXMGUQHCZEHIT-HNNXBMFYSA-N 429.531 1.175 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1539219737 MFPIOXWDLQREGC-KRWDZBQOSA-N 430.530 1.880 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1539340234 JHGSZZGOUAOUCJ-UHFFFAOYSA-N 432.550 1.546 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1539630730 GULIXKRXCXHZOR-FUHWJXTLSA-N 425.599 1.930 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1539890974 XFZIJBWMNAPXMS-ZDUSSCGKSA-N 435.472 1.261 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCS2)C1 1540883486 AOSLUIBWVFUNGF-ARFHVFGLSA-N 429.612 1.955 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1540916847 ICZGVDKIRGCXAH-CVEARBPZSA-N 445.611 1.145 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1541803469 IOCSIYYSMBZOIM-QAPCUYQASA-N 449.533 1.590 30 10 IDEE C=CCOc1ccc(CC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 1542965508 SKYVVXTWEZGZIO-FQEVSTJZSA-N 436.574 1.532 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1545342502 QVLSWAXAQOOCQJ-BLLLJJGKSA-N 446.472 1.963 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1)C1CCN(S(C)(=O)=O)CC1 1552917349 NQCYUEJNVIKEFC-UHFFFAOYSA-N 430.534 1.202 30 10 IDEE C#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1 1556973783 WDGYQQGTTKFMOJ-AWEZNQCLSA-N 441.531 1.482 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cc(C#N)ccn4)C3)[C@@H]2C1 1558067116 ZZNOCZRIJPCHAL-OIISXLGYSA-N 427.461 1.608 30 10 IDEE C=CC[S@](=O)(=NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccccc1 1558718270 CEYKTPODPQYWJK-VPTFNQTCSA-N 431.489 1.968 30 10 IDEE C#CCC1(O)CCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1560098465 ISUXAKHQFFGHJU-LJQANCHMSA-N 433.574 1.067 30 10 IDEE N#Cc1cc(S(=O)(=O)NC[C@H](O)C(=O)OCc2ccccc2)ccc1C(F)(F)F 1561864700 BLPDIZVVMYQRFH-INIZCTEOSA-N 428.388 1.960 30 10 IDEE COC(=O)[C@]12C[C@H]1CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1585006135 SEYOILGLDYTHJY-UTKZUKDTSA-N 431.514 1.513 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc(CC)ns3)CC2)s1 1587141437 LSLBGGGWJCYBQB-UHFFFAOYSA-N 441.604 1.518 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588049242 CTQMBNRUQLTRNU-KRWDZBQOSA-N 431.566 1.092 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1588050296 QNVKEBZBMAXUGZ-HNNXBMFYSA-N 431.547 1.119 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1588128963 WBVSDVBOHJXGPS-SFHVURJKSA-N 443.511 1.925 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1588549933 CLACMFDXVXDLHQ-OAQYLSRUSA-N 434.537 1.805 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2COC)CC1 1588923722 KLVLDISITYLODE-UHFFFAOYSA-N 445.527 1.896 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOCC1 1589483693 PTTLIZIECBFEMH-RTBURBONSA-N 432.569 1.264 30 10 IDEE CC(C)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1602883382 DKSXVEIUVRKJPM-UFVMTTLYSA-N 443.552 1.229 30 10 IDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1610402602 ODTYRZBMXLOKHX-ZPMCFJSWSA-N 433.553 1.989 30 10 IDEE C#CCNC(=O)C[C@@H]1c2nc(NC(=O)COC)sc2C[C@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)CO 1616130664 QMGCLEBLJSVKJV-CCIFJCQYSA-N 449.573 1.283 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618731554 NHAIKSNSHKTJCO-INIZCTEOSA-N 446.554 1.328 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1619878110 APCDNPHWLZKNNL-SFTDATJTSA-N 440.548 1.779 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1619912540 GDSHXQLZJACHKW-GCJKJVERSA-N 440.504 1.635 30 10 IDEE COc1ccc(C(=O)N(C)[C@H](C#N)C2(SC)CC2)cc1S(=O)(=O)N1CCOCC1 1624875424 DURJNNATSVCDSJ-QGZVFWFLSA-N 439.559 1.576 30 10 IDEE CN1CCN([C@H]2CC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 1633556202 CKTQVANLJGPFLZ-HDICACEKSA-N 447.605 1.180 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)OCC)c1 1634383453 SWWBFTBZWZNIIF-INIZCTEOSA-N 430.486 1.756 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634919239 WCISTBWHALMJTJ-IRXDYDNUSA-N 436.472 1.477 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(NCc3nc(C)cs3)c2)CC1 1636480376 ONSXQEVEIUEJOX-UHFFFAOYSA-N 433.559 1.289 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1641401469 VLLAVHBOQORGDQ-HNNXBMFYSA-N 437.518 1.074 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1641499209 GUKQTDYXTPTIDR-IBGZPJMESA-N 447.944 1.887 30 10 IDEE C=CCC1(O)CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1641873017 BYKZOQNDCYMZFD-UHFFFAOYSA-N 437.562 1.377 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 1642110914 GYOSMIGHDADAAA-AUUYWEPGSA-N 427.482 1.524 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2(N3CCOCC3)CCOCC2)CC1 1642338946 MIOBGHNHANKDFM-UHFFFAOYSA-N 435.565 1.635 30 10 IDEE O=C(c1cccc(C#CCO)c1)N1CCC[C@@H](n2nncc2I)C1 1643459083 RWODCACOXYZYEG-OAHLLOKOSA-N 436.253 1.704 30 10 IDEE COC(=O)[C@@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 1644069868 KUWQPIKMJNLYRW-NQIIRXRSSA-N 431.493 1.265 30 10 IDEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OC 1644819631 NIEZMGHYXRTQGM-MRXNPFEDSA-N 426.539 1.143 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1645680172 ZEXBMNLJTGDILV-HTAPYJJXSA-N 425.570 1.968 30 10 IDEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)CC2)C1 1648005552 SAFPRVXNRCLVBY-UHFFFAOYSA-N 443.319 1.592 30 10 IDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1669196434 QCMQZUPGWIEBAK-BRWVUGGUSA-N 430.592 1.959 30 10 IDEE C#CCN(C(=O)NC[C@H]1CCCCS1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1679412332 JLRBKISIQITABU-QGZVFWFLSA-N 427.567 1.998 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NCC 1689847226 VEMQIHGLVXBDMN-HNNXBMFYSA-N 445.593 1.858 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1689924770 TUURDNYCDVMUIC-MRXNPFEDSA-N 443.577 1.709 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C(C)C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689994123 RKTQVGPNCMLARG-VQTJNVASSA-N 449.621 1.214 30 10 IDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCN(C)CCOC)CC1 1690372754 XVJSSJPQBGHQPL-UHFFFAOYSA-N 447.609 1.973 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1690719204 IEBDNZNSHJRSJQ-INIZCTEOSA-N 434.518 1.554 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690723025 FKAFVRJCDNCEQQ-FQEVSTJZSA-N 446.533 1.280 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C#N)C1 1690730190 ZONCXWWLJCGABG-SFHVURJKSA-N 445.545 1.749 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1691493256 CPSHIYWEIMICEX-NRFANRHFSA-N 428.562 1.893 30 10 IDEE CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696425944 FDTCQMGEVKVNEY-SFHVURJKSA-N 444.561 1.562 30 10 IDEE COc1ccccc1CN(CCO)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1697597011 IXTJDLVNLSLFKD-FMQUCBEESA-N 426.477 1.120 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2nccc(C(F)F)n2)c1 1698485278 BFFCTZDTMRISRA-UHFFFAOYSA-N 445.455 1.827 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705499988 CYDCWJNEUMLHOL-AZUAARDMSA-N 440.596 1.540 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1705628925 SOEZMMYGHYOXRD-LJQANCHMSA-N 446.573 1.904 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1705661526 DHCOFHNCBACHAY-DOTOQJQBSA-N 448.618 1.794 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1705662428 YQRZGNOIQSXTOT-MRXNPFEDSA-N 429.550 1.274 30 10 IDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705720386 UIILDUPXUXRHOT-INIZCTEOSA-N 431.541 1.539 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1705881699 YGKLMWBZWUHDHD-UHFFFAOYSA-N 435.330 1.977 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(OC)C1 1705907167 CDMSWVWYKSCPOI-FQEVSTJZSA-N 432.550 1.577 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705956868 YDEFYHMPJROZTN-MRCUWXFGSA-N 443.552 1.450 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1706747401 LZKULQYQBUHBMZ-CVEARBPZSA-N 429.525 1.775 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1722294488 WZZQTOPWIODPOV-DYESRHJHSA-N 436.560 1.692 30 10 IDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1722359078 POUZKPHULBTLGO-IBGZPJMESA-N 443.573 1.826 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722365196 CMLXPUVHFZFDDI-GOSISDBHSA-N 430.578 1.961 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722369310 XMOSKNYWDUHOPS-AABGKKOBSA-N 449.621 1.878 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1722420569 HWADATFJVFNNMU-CVEARBPZSA-N 433.534 1.151 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(C)C)CC2)CC1 1722440433 GSGNXTGWRONMHS-UHFFFAOYSA-N 426.565 1.916 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1722494079 MIFRJTRVXCWEIF-IHRRRGAJSA-N 428.331 1.578 30 10 IDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cn(C2COC2)nn1 1722514626 DOSNYTVHMUPQHE-UHFFFAOYSA-N 442.549 1.883 30 10 IDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722579504 GQAHTJLKWKFRDA-INIZCTEOSA-N 429.956 1.806 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 1722582325 HIRWAJFLIVMNLU-AWEZNQCLSA-N 434.557 1.878 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1722588350 QVWJAGFBAQZDIG-KRWDZBQOSA-N 449.581 1.640 30 10 IDEE C=CCCOCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722628158 XPRJSHCGLKGFKP-OAQYLSRUSA-N 437.541 1.800 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722679302 WCAPNPOKGSHQJO-FQEVSTJZSA-N 436.534 1.142 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722691000 NVLMVFRZLXZNDU-CVEARBPZSA-N 444.511 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722695858 RWJYYVPFJSBTKO-MRXNPFEDSA-N 426.912 1.472 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722735298 JHHMXTVJRAFGFJ-UHFFFAOYSA-N 426.550 1.790 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1 1724017115 BYAOTIDMSNPJEO-INIZCTEOSA-N 436.520 1.970 30 10 IDEE CC1(C)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCCNS(C)(=O)=O)C[C@H]21 1724018306 QWMLDSQBENBANU-HDICACEKSA-N 444.561 1.760 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)O1 1726670172 CTAMWCFICWAMEJ-JTDSTZFVSA-N 444.561 1.854 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729742477 ZGKDSCHSXRYIRP-MSOLQXFVSA-N 439.545 1.576 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730488349 MCKZQSLDHRHYNB-QZTJIDSGSA-N 429.500 1.750 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H]1OC 1730868936 LCHSYTVRCQYGIA-BWPNAZKDSA-N 432.569 1.994 30 10 IDEE COCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730926588 WBTCUMRZYUNULM-UHFFFAOYSA-N 434.504 1.596 30 10 IDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740587554 NYPBBYGZYOQBPG-IRXDYDNUSA-N 446.577 1.892 30 10 IDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740589992 HNPQIGHIQUGEOP-FCEUIQTBSA-N 442.608 1.964 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1740685622 PLZIIEYBCLETRR-INIZCTEOSA-N 428.480 1.699 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740717820 AXQLUMWXMOZEIW-NVXWUHKLSA-N 431.566 1.723 30 10 IDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740742908 GGAIRAWXWNSSJH-UHFFFAOYSA-N 439.358 1.045 30 10 IDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740884751 LLEDONJOLOIDON-SFHVURJKSA-N 439.520 1.714 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740959778 DWWMMRDEULYUFT-CABCVRRESA-N 430.475 1.547 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC)C1 1740973734 CPSKCIHOKURACH-INIZCTEOSA-N 433.534 1.266 30 10 IDEE CC(F)(F)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1741892805 CBZIVVLBUZMSMZ-OAHLLOKOSA-N 430.463 1.868 30 10 IDEE CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1742036673 MZOJWXQCNKLGCK-OAQYLSRUSA-N 427.530 1.913 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@]2(CCOC2)O1 1743243407 ARGLJKLAGDTNGL-YWZLYKJASA-N 431.518 1.246 30 10 IDEE C[C@H]1CSCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1743372548 QQNYJWYKSAIHBX-DNTCVELPSA-N 439.545 1.732 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(=O)(=O)NC 1748656283 PLMONBMJQCZPBV-NSHDSACASA-N 444.330 1.854 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)COCCO1 1748664893 KPYFALFSHJPLMU-YWZLYKJASA-N 432.550 1.502 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1748671982 OWBNHHJIRYPTAX-MAUKXSAKSA-N 435.525 1.565 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 1748747921 OTKPDKCQFGQQHX-UHFFFAOYSA-N 434.504 1.859 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749209119 OJHLCKNVEVUDNP-HKUYNNGSSA-N 431.541 1.982 30 10 IDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749457876 SHFVQMGQTUQAFU-MOPGFXCFSA-N 443.504 1.335 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1749600099 QCPHPXGQCDRGNH-MSOLQXFVSA-N 432.546 1.823 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749655361 JDTNBJJRCGQMMT-KRWDZBQOSA-N 426.521 1.608 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749677984 RFVAQZCTZPNLGC-RTHVDDQRSA-N 444.561 1.169 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCCN2CCOC2=O)c1 1750380984 DVEMSXGLUAPPCW-UHFFFAOYSA-N 437.504 1.751 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750473979 CYCCSMZBEBHZOA-QZQOTICOSA-N 441.580 1.925 30 10 IDEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1750534891 NKNZIQQDSHUTRF-GJZGRUSLSA-N 436.513 1.086 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)[C@H](C)C1=O 1750836522 FPQMGONICGCPIQ-VQIMIIECSA-N 435.532 1.788 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(F)cn1 1760172947 DRQAUAGYZAVCFJ-UHFFFAOYSA-N 428.493 1.847 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1760185215 SEVPUNFAWNRANA-OAHLLOKOSA-N 445.936 1.517 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1760192084 DNMDLVNGLNPVNW-RTBURBONSA-N 435.594 1.458 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC(O)CC1 1760201914 MWJRWXQZAYSIFB-UHFFFAOYSA-N 445.527 1.514 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1760242477 DVPUAFKUWQZMRZ-VGSWGCGISA-N 440.504 1.350 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(C)C)CC1 1760255344 HUOHFCLTYOAISR-UHFFFAOYSA-N 444.605 1.997 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760452339 LLLYJLIUYQSUIY-UHFFFAOYSA-N 447.584 1.623 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCN(C(C)=O)CC2)C1 1760538452 DVQNWCZGVWCMCU-QFIPXVFZSA-N 449.559 1.762 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)CC1CC(F)(F)C1 1760557769 WAGBENBXIQDMPW-UHFFFAOYSA-N 431.509 1.483 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1761208016 HWVDMVLCBDZFRH-VFCRVFHLSA-N 428.493 1.702 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)COCC2 1761483228 UXVUOBNZIONCJN-VLIAUNLRSA-N 448.524 1.451 30 10 IDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1763257415 ZJSJRVOXCLCGCG-QAPCUYQASA-N 429.550 1.039 30 10 IDEE CC[C@H](C)c1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763613953 VWYOAYGQTZCSOM-DPHDRGAJSA-N 429.525 1.410 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCN2CCCO)CCOC1 1765856671 BKWLTIXNSYYEOF-SIKLNZKXSA-N 432.569 1.517 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(OC)CCOC1 1767941692 FEAFFMNGHHROTR-NRFANRHFSA-N 427.509 1.213 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1O 1769451559 DYZPNPIYYGIHED-XWPNQZOQSA-N 439.516 1.850 30 10 IDEE COCCN(C)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1771080264 UQRUBFRGIZVUIQ-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1771532089 OWWRKWLZVJPQKE-VQTJNVASSA-N 438.532 1.839 30 10 IDEE CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCC#CCN1CCOCC1 1850241989 LKYBDMAKDRTZCS-GOSISDBHSA-N 427.954 1.095 30 10 IDEE CC(C)[C@@H](C(=O)N=C1C[C@H](C)N(c2ccc(Cl)cn2)N1)N1CCS(=O)(=O)CC1 1851738898 BHRAMWRNRUIPLW-GUYCJALGSA-N 427.958 1.518 30 10 IDEE N#Cc1cc2c(cc1CC(=O)N1CCN(c3ccc4nnc(C5CC5)n4n3)CC1)OCO2 1853259479 YESUTWLIQJRBJF-UHFFFAOYSA-N 431.456 1.493 30 10 IDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)cc1 1854645263 PLSALYFKEVNPCJ-HNNXBMFYSA-N 427.482 1.558 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCOC3)C(=O)C23CCCC3)cc1 1856313117 IVRTWTBOBGMJGP-KRWDZBQOSA-N 431.514 1.657 30 10 IDEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCNC(C)=O)C2=O)c(OC)c1 1863417805 WBIBGFGSFRQALK-UHFFFAOYSA-N 434.452 1.904 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCC(C)CC2)cn1CCOCCO 1870496240 YBUNUKNVVKMNGA-UHFFFAOYSA-N 447.576 1.669 30 10 IDEE COc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)cc1 1874433836 ZWYDRCMZZXJHKM-ZVBGSRNCSA-N 445.530 1.992 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(COc3nccnc3C#N)CC2)cc1 1892031577 VSYZBCWEHSYERA-UHFFFAOYSA-N 429.502 1.253 30 10 IDEE N#C[C@@](N)(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)C1(Br)CC1 2025906993 SMCJNGNZGLBHGR-LJQANCHMSA-N 428.290 1.870 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCC(=NO)C1 2108229262 SMZNNQXQZQFTRQ-BFUOFWGJSA-N 425.482 1.951 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCCO1 2124532625 LBSFPPYSDNLJEO-CABCVRRESA-N 448.329 1.787 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCN1C1CC1 2171817393 KRGJVFLHAHUGBQ-KRWDZBQOSA-N 430.530 1.455 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNCc1occc1B1OC(C)(C)C(C)(C)O1 2218629884 DGNLECZMZYSTBD-YQQAZPJKSA-N 438.330 1.010 30 10 IDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2243434684 CIXJJLRIYPXMHC-UHFFFAOYSA-N 444.384 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248429904 RSOUZNXFHCEMBM-LBPRGKRZSA-N 438.359 1.891 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255538941 RZNCMYXSTPNJFZ-CQSZACIVSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2CC2)C1 2255626605 HZWPPMFGFXRKMA-UHFFFAOYSA-N 432.330 1.933 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2255651543 XYOFWVWSXOQRLQ-HUUCEWRRSA-N 434.346 1.895 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2255673986 JLPPYHSBGHQHMX-INIZCTEOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255702946 NDCHWKDUGWSFIC-KGLIPLIRSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255873073 AXQXZVFLHGJTKT-AWEZNQCLSA-N 432.330 1.763 30 10 IDEE CC1(C)OB(c2ccc(C(=O)NCCN(CC(=O)O)Cc3ccccc3)o2)OC1(C)C 2256868748 RSSUYNORHIKWDN-UHFFFAOYSA-N 428.294 1.895 30 10 IDEE CC(C)(C)OC(=O)NCc1nc(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 2267269622 GGLXFMSWDCFSID-UHFFFAOYSA-N 444.301 1.776 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1C(=O)OC(C)(C)C 2267599130 KKZZWBNPKAVJPJ-CQSZACIVSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2268712876 XRCQNCVMMTXCQU-CYBMUJFWSA-N 448.329 1.478 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269075391 MJWAEERRQZFIES-GDBMZVCRSA-N 441.293 1.564 30 10 IDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)C1CC2(C1)OCCO2 2277961282 REPPXZWMDMPZEY-UHFFFAOYSA-N 429.369 1.714 30 10 IDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccncc1 2296613053 OCFUBTKEFHFCFR-FQEVSTJZSA-N 439.516 1.576 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2310482819 PQXGUNNXIZZNMC-MTERUZRBSA-N 440.346 1.459 30 10 IDEE COc1cccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1OC 2322614616 HOWWYCGSVWYOHK-GFCCVEGCSA-N 426.882 1.720 30 10 IDEE C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCC(N)=O)c(OCC)c1)CC(=O)N2 21784639 OBDMUZFPMKWFKX-GFCCVEGCSA-N 428.470 1.232 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 57830679 HYNKTBVXIUFFKQ-QGZVFWFLSA-N 429.521 1.891 30 10 IDEE COc1ccc(-n2ncc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)c2C(F)(F)F)nn1 111223965 HCHWYQBCLXODJQ-CQSZACIVSA-N 437.426 1.996 30 10 IDEE Cc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cnc2c1c(=O)n(C)c(=O)n2C 439056181 HCNHQMOQZITXAH-AWEZNQCLSA-N 442.273 1.698 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@@H]1CCCO1 447269956 FBGOQDGLEOWNAY-ZDUSSCGKSA-N 437.974 1.831 30 10 IDEE CCCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2c(Br)cnn2C)c1=O 447279626 IFZDOLMNXLFMTQ-NSHDSACASA-N 437.363 1.934 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CSCC(=O)Nc1ccc(F)cc1 465466671 ODGDWJZEOSGBRZ-CQSZACIVSA-N 428.493 1.896 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 466294496 ZSUYSVHLGYCCGX-FQEVSTJZSA-N 445.589 1.839 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)CC1 470738822 WHDOXTFTZOPSIF-LJQANCHMSA-N 437.525 1.815 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CCC(C)(C)C)CC1 509009373 BCWTWZOESVOUIP-QGZVFWFLSA-N 440.614 1.355 30 10 IDEE C[C@H](C#N)CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 533138896 AAEZPCFTAFKRKZ-CQSZACIVSA-N 440.953 1.923 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCN(c4ccc5c(c4)OCCO5)C3=O)CC2)n1 545490120 ZHMMYRDYWOSGKA-SFHVURJKSA-N 433.468 1.426 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)CC2)n1 546196911 ADZUDJMXGGLOBF-QFIPXVFZSA-N 444.495 1.078 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(=O)NC4CC4)CC3)n2C[C@H]2CCCO2)cc1 549455849 PYASGVUVFFOJMX-HXUWFJFHSA-N 435.532 1.396 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1cccc(Br)c1C#N 566905958 HHWDWDLBKBOBRV-HNNXBMFYSA-N 443.367 1.542 30 10 IDEE CN1CCC[C@@H]1[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 590400561 WHDSWKOIBXGZPC-NHCUHLMSSA-N 446.573 1.281 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(C)cc2C)c(=O)n1C[C@@H]1CCCO1 603797202 BVMWJJNGPOEFSH-SFHVURJKSA-N 437.565 1.819 30 10 IDEE CN(c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1)S(C)(=O)=O 609550676 MXVNIMGPJVLNEC-UHFFFAOYSA-N 428.518 1.381 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2c(C)cc(C)nc2O)C1=O 726115564 QXHBKCNWQXCGEV-PJXFJRINSA-N 427.530 1.978 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCc1cccnc1 727814525 UTSKDXFLPLPLCF-UHFFFAOYSA-N 425.477 1.155 30 10 IDEE CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732895350 XRKYYNSNXVIWMD-SFHVURJKSA-N 432.546 1.537 30 10 IDEE COC(=O)[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(C#N)cc1 740216350 WUTUDHKUMRPKAF-IBGZPJMESA-N 443.481 1.811 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 747353221 DUKBCNFUSWKDGK-UHFFFAOYSA-N 448.527 1.556 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 755122531 PZLADSCYWGLHLQ-KRWDZBQOSA-N 442.520 1.118 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=CCN3C(=O)c4ccccc4C3=O)cc2)CC1 755699197 UJTUMELGCFROJK-UHFFFAOYSA-N 441.513 1.317 30 10 IDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 774248663 DWZMSUCVQBDWDN-QGZVFWFLSA-N 447.605 1.781 30 10 IDEE C[C@H](c1ncn(C)n1)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 780310815 AKHGVPLDUFBQSZ-CZUORRHYSA-N 447.540 1.715 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCC(=O)NC2=O)c1 782563314 NKPYPXRVLYPNCQ-IXSYQRGLSA-N 435.506 1.206 30 10 IDEE CCn1ncnc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 794424994 RGOFNRPTFHUNDO-INIZCTEOSA-N 447.540 1.637 30 10 IDEE N#CCn1c(CN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc2ccccc2c1=O 805787369 NTDZDKAVEVBGTN-DLBZAZTESA-N 429.480 1.929 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 809895998 CCMABAAEVZBJAT-RTBURBONSA-N 449.577 1.665 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCCOCCC#N 815246799 ONVFEAJKCDXDGK-UHFFFAOYSA-N 425.507 1.108 30 10 IDEE COc1ccc(N2CC[C@@H](CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)cc1 1130185322 DWBHHHMNJGQQRJ-HNNXBMFYSA-N 428.514 1.376 30 10 IDEE C=CCn1c(SCC(=O)N2CC(=O)NCC23COC3)nnc1-c1ccc(Cl)cc1 1133142010 LPCYIGLXMBFZIQ-UHFFFAOYSA-N 433.921 1.604 30 10 IDEE C[C@@H]1COCCN1C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1141595377 ASXDULUGSQXGBK-MRXNPFEDSA-N 434.562 1.217 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O 1142284426 AYPVMVXEBBNAQF-ACJLOTCBSA-N 430.461 1.286 30 10 IDEE C#CCN(C(=O)CNC(=O)Cc1ccc(O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1155367521 RZRMENSZWUSCSV-UHFFFAOYSA-N 429.517 1.912 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1155474238 DMXQCNXAGHCZTE-IAGOWNOFSA-N 439.490 1.762 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)Cc1ccc(Br)cc1C#N)C2 1158987067 SZIOOKYURJJZAZ-HNNXBMFYSA-N 431.294 1.262 30 10 IDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC)C(=O)OC 1161357391 OVGUKPMJFMTOBV-SFHVURJKSA-N 442.493 1.741 30 10 IDEE COc1cc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)ccc1C#N 1167488676 WWQBRAJKYPLMGV-UHFFFAOYSA-N 428.514 1.303 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167527998 VODAFJDWNFEKEN-USXIJHARSA-N 445.520 1.753 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1286402042 WXOMHLNJZKGLIH-QHCPKHFHSA-N 438.484 1.811 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286484979 SPUQSWILSHMWMV-LEWJYISDSA-N 439.560 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C)nc2)CC1 1286488905 XRKRNRNLFBJVFO-SFHVURJKSA-N 440.548 1.720 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1286556948 SFDVFIVLOSXQJM-NEWSRXKRSA-N 426.521 1.581 30 10 IDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286618415 APXKCZJHWGVOID-UHFFFAOYSA-N 434.932 1.536 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CS(C)(=O)=O)CC2)CC1 1286645301 AFALHNPDGKNMBN-HNNXBMFYSA-N 428.580 1.161 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1286700433 NEWLRKXIQAYJLU-MOPGFXCFSA-N 437.610 1.695 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CC1 1286875144 HEUQSBJRWCUFIT-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1=O 1299143405 DFEAYGAIGYUNKI-RRFJBIMHSA-N 434.493 1.115 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1299278431 IGQIXVKGINPZJO-KRWDZBQOSA-N 436.520 1.193 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1300365170 QPKNHADLLLFERA-CEMLEFRQSA-N 442.608 1.964 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1300479399 NQVNJKRMDJSWNF-BZSNNMDCSA-N 449.577 1.024 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CCC1 1300515928 CUPZRGXPBGGOJC-GDLZYMKVSA-N 444.582 1.723 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)OC)CC1 1301126314 SRCFTEPRTWLGHT-SJORKVTESA-N 427.571 1.438 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 1303315273 XFMDGKPZZMWYAN-BLLLJJGKSA-N 431.474 1.086 30 10 IDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)C2 1306834359 QDLANRPGOHSTCW-OBJOEFQTSA-N 435.278 1.812 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1316068143 GLIOVCDUAQPXRN-SFHVURJKSA-N 425.493 1.036 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1=O 1316125915 QRYDYWXLGSOQKS-QGZVFWFLSA-N 446.458 1.536 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(C)cc2Br)c1 1357767296 NZSIGLZEYJOYGN-UHFFFAOYSA-N 431.290 1.670 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1358885846 SEIXFRDRIAJKMQ-IRXDYDNUSA-N 435.532 1.371 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1358889843 HNEYKZYCGDRHEL-GVDBMIGSSA-N 425.555 1.028 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1358912530 SPHLLGYFQHWWQO-HXUWFJFHSA-N 428.581 1.720 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1358961756 DUFKYPBMVHRWHE-IKJBURDNSA-N 449.577 1.061 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358966347 NBBWZCUJWREABD-ICSRJNTNSA-N 433.622 1.979 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC(C)C 1359010096 GPJQNDSDMJTHDJ-QGZVFWFLSA-N 448.568 1.961 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359031182 SPPKREJNNIOPNG-SRYPRDQNSA-N 431.581 1.889 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccoc2)CC1 1359041810 JLKUBKUHNQGIBH-HSZRJFAPSA-N 441.532 1.926 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1359132836 GQPSGXUEZXYOEH-MSOLQXFVSA-N 447.561 1.826 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359303622 VNWJUZVDVGLTFX-QHCPKHFHSA-N 438.532 1.233 30 10 IDEE CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1359453230 FLZXLERMEIQLMF-AWEZNQCLSA-N 431.928 1.984 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc2c(c1)CCO2 1360644651 CPYPBCXINFSJIU-CABCVRRESA-N 432.550 1.804 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H]3C[C@@]3(C)NC(=O)NC3=O)n[nH]2)c1C 1449339911 GFMJRYUABMWRBX-SPLOXXLWSA-N 425.493 1.669 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ncn(C)c1Br 1456426142 IJKVQUMADXRYFS-LLVKDONJSA-N 440.323 1.080 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(c4ncccn4)CC3)C2)C1 1463610179 YJPLVZPNRGYAGR-PSCUFVCCSA-N 426.521 1.912 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)C1 1471335062 BBTFYOJMBHLNJV-NRFANRHFSA-N 426.561 1.969 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)CC1 1471450737 IJWLKTIDIUGSAJ-UHFFFAOYSA-N 429.546 1.530 30 10 IDEE COC(=O)[C@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1C(=O)OC 1472350392 XIUWOOLSWZILKV-HOTGVXAUSA-N 431.294 1.328 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1cc[nH]n1 1472400714 LNJXRWLDQDSIAH-LAQFHYBYSA-N 435.481 1.017 30 10 IDEE Cc1cccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1492521746 UJDBEMOWFFLAAS-ZPHPHTNESA-N 425.518 1.728 30 10 IDEE CCOC(=O)N1CCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1502491623 ATTIRFROOCWYPD-QFPXGYFVSA-N 445.524 1.597 30 10 IDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1503172139 SKOFHTYNXDSQSP-FQEVSTJZSA-N 426.521 1.975 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1503632693 UPEPHJTZECQYNJ-NRFANRHFSA-N 445.545 1.229 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO 1507512973 HGVOVNWSCMYANS-NQIIRXRSSA-N 438.576 1.879 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1507602613 DVUTWVCQLGNFJX-UHFFFAOYSA-N 439.476 1.193 30 10 IDEE C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1507640192 QBIFNDYYFOBSOF-GCJKJVERSA-N 446.573 1.953 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507642617 XKBRELWGSQBJIC-QHCPKHFHSA-N 436.516 1.793 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1507653806 RIQMSHRZCZFUSP-IBGZPJMESA-N 445.520 1.180 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1507658420 JROMIGJVAGKPGB-UHFFFAOYSA-N 435.532 1.501 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1507702513 JEGAMDLHUSTOKN-QGZVFWFLSA-N 448.568 1.903 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@@H](C)CC 1507820358 CDHXOZHTVGYRCC-ABSDTBQOSA-N 443.614 1.811 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1508035886 GOAPSRHZOSAXQQ-UHFFFAOYSA-N 436.520 1.986 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(CCC)C(=O)C1 1508084989 RWPONAJCHKDSLC-UHFFFAOYSA-N 431.566 1.385 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1508144692 WVNHHJUNZGJVMX-QGZVFWFLSA-N 447.565 1.076 30 10 IDEE CC(C)C(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1508807362 XFUGXJZBOMTJFO-FQEVSTJZSA-N 447.540 1.874 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCS(C)(=O)=O 1509003173 PJDRCOZZXHUPQF-UHFFFAOYSA-N 447.565 1.056 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)CCOC1 1509805813 NASCDTBYVVJGFX-DUXKGJEZSA-N 436.532 1.481 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@@H]1C 1517711479 WAUFSENJJBKGQP-INIZCTEOSA-N 439.520 1.962 30 10 IDEE Cn1cc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c(I)n1 1531355097 SGIIZOGHDXFVHI-UHFFFAOYSA-N 433.213 1.788 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539132957 DKEHSELWGDDIEV-UHFFFAOYSA-N 447.499 1.663 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539215779 IWLVKVXOTQKCLS-HXUWFJFHSA-N 427.574 1.914 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1539291631 TZYGMBAYDWBMQC-UHFFFAOYSA-N 430.516 1.817 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1539371095 NPPOYNLGDFAHBD-HZPDHXFCSA-N 432.525 1.325 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OC)c1OC 1539391271 AZFPBOOCWLJGQK-UHFFFAOYSA-N 427.505 1.666 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CC1 1539890916 VVWYBNGSXQZLCX-IBGZPJMESA-N 437.610 1.695 30 10 IDEE CN(CC1CC(F)C1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1554210524 CIAVJLRIEAWSFR-MRCUWXFGSA-N 439.495 1.975 30 10 IDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCC(N)=O)CC2)C1 1554356226 HBYVQWBFETXLND-QHCPKHFHSA-N 437.548 1.365 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CC1(O)CCS(=O)(=O)CC1 1555061045 GUMSHZRCJXSRQD-MRXNPFEDSA-N 447.561 1.413 30 10 IDEE COCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)cn1 1555569714 DMPGXBQHGRIFBP-IBGZPJMESA-N 434.504 1.628 30 10 IDEE COC(=O)[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1ccnn1C 1557171845 IQPGVJAUVIOEJC-ZKEMRMIHSA-N 431.493 1.537 30 10 IDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1557951713 GPHQHAYJIXOZRY-INIZCTEOSA-N 449.577 1.596 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1558067229 UQBTZLHWAWNUOA-OAQYLSRUSA-N 433.509 1.610 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)Cc2cccc(Br)c2)CC1 1558073168 MVNSMNXZAMMEPS-MRXNPFEDSA-N 442.379 1.630 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)C1=O 1560184237 IKMRDHZRCYLCTK-JOCHJYFZSA-N 426.473 1.213 30 10 IDEE C[C@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCN1C(=O)c1cscn1 1564531872 ZRXNCQCIXOMTJH-SOUVJXGZSA-N 448.549 1.758 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1564964275 ZRFYHYQTLHSMEB-SFHVURJKSA-N 429.498 1.951 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(O)n1C1CC1 1570885643 MWZKEIYYYZNHHZ-AWEZNQCLSA-N 432.506 1.232 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588034963 NVSCVDWMIPNCHK-GOEBONIOSA-N 425.555 1.469 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588064800 PHGSAPGXBQPDIK-UYAOXDASSA-N 442.589 1.375 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1589482104 GFMZKXGCNIIJQL-YVSFHVDLSA-N 432.525 1.332 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCOCC2(C)C)CC1 1594193177 PSSHBXMRKJOYDS-MRXNPFEDSA-N 440.614 1.402 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1594535041 SATIZLREEATAOH-BQFCYCMXSA-N 426.560 1.076 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCO)c(OC)c1 1594963928 ZWSGBBZWNCHMRK-MRXNPFEDSA-N 436.534 1.230 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](C)C1 1595788721 HWXRSGTVEARCHS-CYBMUJFWSA-N 439.563 1.548 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1596791940 URPHHVQMIXZYCX-NSHDSACASA-N 444.359 1.191 30 10 IDEE C[C@H](NC1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCOCC1)c1ccccc1 1617245567 GDJULMRRMXOAHP-INIZCTEOSA-N 425.489 1.227 30 10 IDEE O=C1CCCN1Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(F)(F)F 1620391149 PIYRBTUDPDNEMO-UHFFFAOYSA-N 446.371 1.985 30 10 IDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1620525872 VJWLKVRRJCKXOQ-GOSISDBHSA-N 442.495 1.673 30 10 IDEE C=CCN(CC(=O)OCC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1621708833 VUCUSYSHPCZEDP-ROUUACIJSA-N 440.518 1.403 30 10 IDEE CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1622009624 BYVMVRFSUAKACN-UHFFFAOYSA-N 449.554 1.840 30 10 IDEE N#Cc1c(CCCNC(=O)[C@]2(c3ccccc3)CNC(=O)C2)nn(-c2ccc(F)cc2)c1N 1624380565 LZDFZQGUGCQZKB-DEOSSOPVSA-N 446.486 1.972 30 10 IDEE C#CC[C@H](NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2)C(=O)OC 1626187791 IUPOFRNDEAEOQG-IRXDYDNUSA-N 429.473 1.759 30 10 IDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1627880118 MJVAWPWEZCBGOX-UHFFFAOYSA-N 440.543 1.184 30 10 IDEE CCC(CC)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)N1CCOCC1 1629139714 QKJDZDHALFVBFP-IBGZPJMESA-N 425.526 1.990 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 1629301025 OJGAPIZDBNBHTJ-KBPBESRZSA-N 447.542 1.055 30 10 IDEE C#C[C@H](NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1)[C@H]1CCCO1 1634470418 SPIZFVWWTSABJQ-UONOGXRCSA-N 425.436 1.920 30 10 IDEE C=CCn1cc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)nn1 1643214072 JEDIRPIOJLGDAL-UHFFFAOYSA-N 428.312 1.211 30 10 IDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1644587451 LQVMNNMVCCIVNU-ZWKOTPCHSA-N 437.905 1.043 30 10 IDEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OC 1645503501 PCCFMGIFDPRGEH-KRWDZBQOSA-N 444.937 1.989 30 10 IDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648939968 GWZJLTAYUVUPPR-LJQANCHMSA-N 426.496 1.843 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCOC1 1649663324 FFNHINZSIFFKGR-NRFANRHFSA-N 448.474 1.820 30 10 IDEE CS(=O)(=O)N(c1ccc(OCCNc2ncc(C#N)cc2F)cc1)S(C)(=O)=O 1651690360 RMIAVZJOYMUAAZ-UHFFFAOYSA-N 428.467 1.309 30 10 IDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 1653725378 HITUPQORBALKGX-CYBMUJFWSA-N 432.951 1.979 30 10 IDEE COC(=O)C1([C@@]2(O)CCCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)CCC1 1660338295 LNPNONFWTCTPTF-HSZRJFAPSA-N 437.500 1.853 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)OC)ccc1Br 1664413495 CEOYTTWNINJFRO-UHFFFAOYSA-N 429.336 1.954 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2cccc(C(F)(F)F)c2)CC1 1677759552 SSJWILXEMALHBQ-UHFFFAOYSA-N 432.468 1.433 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 1684363093 LIDRKKFFHBTTCM-FPOVZHCZSA-N 448.575 1.385 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)n1 1684835692 JPMVKNCRYCCZEV-UHFFFAOYSA-N 438.576 1.669 30 10 IDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCOCC1 1685656926 HJGLHPRKUSPGLR-UHFFFAOYSA-N 432.546 1.512 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCC3(N4CCOCC4)CCOCC3)C2)nc1 1686731640 YTQOFUJIJVRCQJ-LJQANCHMSA-N 428.537 1.421 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCOCC1 1689835418 MHRGXLQSIAMXPD-QZTJIDSGSA-N 445.589 1.775 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1689847976 MLJOXIRMSFLDLK-CMJOXMDJSA-N 433.516 1.611 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(=O)NCC)CC1 1689922328 JUKLITJQPJSNAW-UHFFFAOYSA-N 438.532 1.388 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1689979672 FXPKCLPLDIFOMQ-RBUKOAKNSA-N 437.610 1.385 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1CCN(c2ccncc2)CC1 1690025220 JAOOZBGPYACISK-UHFFFAOYSA-N 431.544 1.785 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2[nH]ccc2c1 1690103889 ISQYLAVQHKFRNA-IBGZPJMESA-N 441.557 1.990 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2occc2C)CC1 1690137315 UMZGUFFZMYUMCM-UHFFFAOYSA-N 447.499 1.841 30 10 IDEE C#CCSCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1690185633 BQCCDBBLBGYFSA-OAQYLSRUSA-N 445.593 1.805 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1690673163 PZYVMJLBHKNDKA-UHFFFAOYSA-N 438.511 1.818 30 10 IDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690744967 VDZHYBFIEDDEMJ-IBGZPJMESA-N 448.637 1.836 30 10 IDEE CC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694162516 FSPXEZIJADIHMF-KIJUOZEOSA-N 429.525 1.523 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1695408694 IMZKTNSDDLGLKR-IBGZPJMESA-N 448.535 1.636 30 10 IDEE COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1697092290 GUEZJENZJNSEPK-HNAYVOBHSA-N 440.570 1.166 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 1698005233 QEJSAJIVLBZTJV-QGZVFWFLSA-N 437.548 1.815 30 10 IDEE C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1698456153 YZISAYMKHCEPMB-GJZGRUSLSA-N 434.522 1.155 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1705501635 LHWOTAKNLDFODF-CQSZACIVSA-N 425.942 1.908 30 10 IDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)c1cccc(O)c1 1705559302 XDTBVQUGUHMZDS-HKUYNNGSSA-N 427.505 1.597 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCCC 1705582557 DGIMRVSULTUUFO-UHFFFAOYSA-N 434.548 1.441 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1705583353 WKTJTYUIKFGELR-IBGZPJMESA-N 425.558 1.562 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC=C 1705612569 JRTIJIBIBFDAOE-UHFFFAOYSA-N 443.577 1.512 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N(C)C)nc2)CC1 1705632646 XHSAKJRHRIJMQA-UHFFFAOYSA-N 438.580 1.461 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1705635027 PGWQUGCLLMYBCZ-QPPBQGQZSA-N 444.624 1.950 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CCC)OC)CC1 1705651374 UWTRSXFFOYZARL-FQEVSTJZSA-N 441.580 1.921 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCOC2)C1 1705896436 MSVLVJHYPAVHCS-JOCHJYFZSA-N 427.505 1.881 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705910826 OEMVUULBHZYGJN-FUHWJXTLSA-N 438.532 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCC1CCOCC1 1705928849 VZFOWUUEEIBQMI-UHFFFAOYSA-N 439.582 1.368 30 10 IDEE CC(C)(C)Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706129785 UVWQKTVQFNLVIP-NONRQZMLSA-N 429.525 1.095 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCc2ccco2)CCOC1 1706669534 PRZYBCHEBGUERS-QFIPXVFZSA-N 442.520 1.968 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1710564730 CVTDUMUKYXGFFR-FGZHOGPDSA-N 444.511 1.764 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1712884373 KRBRVCCZSWTWBF-NEPJUHHUSA-N 436.398 1.009 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1722295764 MCEUWSURZKKNTI-APWZRJJASA-N 446.577 1.183 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722366352 HZOCJIBSPTYSPE-RKOGDMNLSA-N 428.624 1.651 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1722428782 APZMQAOPRLCYGI-OAQYLSRUSA-N 436.560 1.527 30 10 IDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1722485145 MGJUBLIQBQUXCN-BBRMVZONSA-N 447.355 1.085 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)=O)CC1 1722726106 ZSDQBTGJHCAANH-UHFFFAOYSA-N 437.953 1.868 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722857110 IESNHTFXHJEANU-OAQYLSRUSA-N 442.545 1.358 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1723067868 ZJSVOPHLVSAKOX-AXNLMSORSA-N 443.552 1.669 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723075840 LSDILELGSHKFLX-RTBURBONSA-N 429.569 1.859 30 10 IDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1727283227 WDOXVRWYYWTOJQ-ZIFCJYIRSA-N 443.504 1.514 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCCS1(=O)=O 1730282996 DIWRPNVHAMACBQ-INIZCTEOSA-N 432.550 1.509 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCC[C@H]1OC 1730868946 LCHSYTVRCQYGIA-PIKOESSRSA-N 432.569 1.994 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740592656 DAPJFCXWIYGWHM-UHFFFAOYSA-N 430.516 1.498 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)c1cc[nH]n1 1740636270 XDGBGUQVRYJOTM-UHFFFAOYSA-N 437.891 1.833 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1740692652 NPXGMBCEMGRCCK-QPPBQGQZSA-N 444.624 1.950 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1740810326 BONOVGGKIKYRJX-INIZCTEOSA-N 447.952 1.526 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740848561 LZVOCJDXCFCNCZ-KRWDZBQOSA-N 443.556 1.110 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)c(C)s2)C1 1740957890 CXQIRLBXGGJDBH-HZPDHXFCSA-N 443.577 1.989 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCOCC2)C1 1740985373 GLUZRMHTQGOFNX-NSHGMRRFSA-N 449.552 1.032 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1741410708 RVNVLMPLZMTPAR-HNQLTLBLSA-N 430.509 1.517 30 10 IDEE CN(C)[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCSC1 1747561449 ANMPFEGAYHZAEV-XMSQKQJNSA-N 439.589 1.956 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 1748751846 NGROBDIIBSCGIA-INIZCTEOSA-N 432.525 1.326 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1748757508 DZZFRVGLOTVVME-UHFFFAOYSA-N 428.566 1.691 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(Cl)s1 1748791667 ZLBUKBOZCWABAI-CQSZACIVSA-N 443.982 1.638 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1748892535 QQYUBCVSBQNOLF-GOSISDBHSA-N 433.578 1.654 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1749604531 TYWXHMUIKWWPET-YADHBBJMSA-N 427.505 1.600 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749676257 JZIQNSDQXNOLIW-UHFFFAOYSA-N 445.527 1.529 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1749730043 XUZZLFNXEBTNJU-UHFFFAOYSA-N 432.550 1.388 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC2(CCOCC2)C1 1749736850 QKWZDWVWOUZPJX-UHFFFAOYSA-N 431.562 1.872 30 10 IDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C1CC1 1751125516 HXWTTZKFNLJSJE-KXBFYZLASA-N 428.562 1.923 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCO[C@H]1CCOC1 1751222109 LQHCPQBUMHGUMO-TXPKVOOTSA-N 440.570 1.214 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1760111535 OJRTZRQIUQRUTC-AWEZNQCLSA-N 428.518 1.177 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(OC)cc2)CC1 1760260651 ARQPOQGQEAUKQX-UHFFFAOYSA-N 438.532 1.243 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760440218 DXKIYDAJOPROGY-XDNAFOTISA-N 439.582 1.438 30 10 IDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760452337 LKZGQCBURTWEKU-KRWDZBQOSA-N 431.566 1.783 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](COC)C1 1760555311 BWNNHKMUAYTINC-HZPDHXFCSA-N 425.555 1.083 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761040815 BSVURWWSTNZMRT-VUAZUDAXSA-N 442.442 1.771 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1767848174 YJVURFNQRKRSMA-SFHVURJKSA-N 429.550 1.040 30 10 IDEE CO[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)C(C)(C)C 1769661364 HIKFUDCPGWEAFW-HRCADAONSA-N 442.586 1.268 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1769882200 QYVKOQOQHQWDAB-VBKZILBWSA-N 430.896 1.814 30 10 IDEE CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 1770308319 AMHMWOUGTWXLLT-MRXNPFEDSA-N 428.518 1.096 30 10 IDEE Cc1nn(C)c(NC(=O)CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1C#N 1851563400 UWEBXUWUSPBONR-UHFFFAOYSA-N 430.509 1.760 30 10 IDEE COc1cccc(C#N)c1OCC(=O)NCCS(=O)(=O)N1CCc2ccccc2C1 1852173642 PZJXQIWWAXZKHK-UHFFFAOYSA-N 429.498 1.450 30 10 IDEE Cc1c(CN(C(=O)c2ccccc2OCC#N)[C@H]2CCc3nn(C)c(=O)cc3C2)cnn1C 1853466217 DMOZXHGPSLOJPX-IBGZPJMESA-N 446.511 1.925 30 10 IDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(CC4CCCC4)CC3)ccc21 1854245104 UBCKVAZSTHEYIA-UHFFFAOYSA-N 430.530 1.512 30 10 IDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C1(C)C 1854590282 UFCMOYFOCHJKLT-UHFFFAOYSA-N 430.461 1.853 30 10 IDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(CCC)c1=O 1861281641 VQAJMDVDFGFUAT-HXUWFJFHSA-N 425.485 1.827 30 10 IDEE C=CCNC(=O)[C@@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861612207 MSTGIGPHIDCQMJ-SJLPKXTDSA-N 447.557 1.756 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N(CCC#N)CC(=O)O 1866337882 IIBMUQRYWKEIRW-INIZCTEOSA-N 433.461 1.840 30 10 IDEE CC(C)N(CC(=O)NCC(=O)Nc1ccccc1C#N)S(=O)(=O)c1ccc(F)cc1 1868164241 CYSRLBIWXLKSID-UHFFFAOYSA-N 432.477 1.851 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1Cc1ccccn1 1870527575 XMZKIFXNNMUXEN-UHFFFAOYSA-N 426.517 1.607 30 10 IDEE C=CCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873594313 RKHMQAQLWZIGOR-MRXNPFEDSA-N 442.520 1.805 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 1985007880 RMMDBXZNOLTDTG-YHUYYLMFSA-N 425.526 1.683 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2060625746 NQXACVXXONSOHR-CBBWQLFWSA-N 438.330 1.993 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248420334 RXACDOGIEHRIQX-QWRGUYRKSA-N 442.322 1.403 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 2255607676 BPLKMJFSKTZAGI-CYBMUJFWSA-N 435.334 1.244 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]1C2 2255629668 ZLPLEUDTPDKSML-NWANDNLSSA-N 432.330 1.837 30 10 IDEE Cc1c(C(=O)NCC=CCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255822713 OQBBDMHGPNXMGN-UHFFFAOYSA-N 434.346 1.838 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2267116436 OHWSDMLJNSBSIO-UONOGXRCSA-N 449.361 1.538 30 10 IDEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)o1 2267141417 WQMOMOPOGNDZQS-UHFFFAOYSA-N 448.289 1.411 30 10 IDEE Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267526449 RZWZIBCIVCSFOT-GJZGRUSLSA-N 446.357 1.943 30 10 IDEE C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267596922 MPZVNXPRYBSLGH-TZMCWYRMSA-N 443.275 1.996 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2267599591 RQOUUYBKVCYMGK-OCCSQVGLSA-N 443.275 1.996 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268641020 KYRXDGIMZHRYJP-OAHLLOKOSA-N 446.357 1.918 30 10 IDEE COc1ccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@@H](c2ccc(OC)cc2)C=3C#N)cc1 20247928 NCZWXYKKNJTZIP-MVDPLZLPSA-N 442.431 1.666 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1=O 247988492 JQFIZVKWVDVTEJ-UHFFFAOYSA-N 446.312 1.324 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CCC3)c2=O)c1 430985592 XPDABJKBXKIVEK-UHFFFAOYSA-N 426.542 1.622 30 10 IDEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2nc3c(s2)COCC3)CC1 446187708 GXWATLGSBNKLHZ-UHFFFAOYSA-N 427.486 1.927 30 10 IDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 460810931 JRYJKIAGPSRSAE-UXHICEINSA-N 427.549 1.920 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 463277545 DJZUVGIWPJONNT-UHFFFAOYSA-N 425.468 1.356 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1S(=O)(=O)NCC#N 467820198 CXPFIWUGANRYDA-VQIMIIECSA-N 440.525 1.716 30 10 IDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486619986 IRGHHASUMIXMPG-INIZCTEOSA-N 433.511 1.041 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486630798 WKESSCPCCBAMPY-IBGZPJMESA-N 447.538 1.431 30 10 IDEE CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518718516 YVDQIZAELKCWNP-INIZCTEOSA-N 443.569 1.599 30 10 IDEE Cc1cnc(CCN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 535115701 GEGXUNKKVPKNQM-UHFFFAOYSA-N 447.586 1.331 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)CC1 540350999 WIOZPZAAKQZFNI-QHCPKHFHSA-N 437.588 1.980 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 543085782 WCNXDPXMNNHEDE-GOSISDBHSA-N 434.504 1.191 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC 543148522 FSHGLNWFARMYRN-UHFFFAOYSA-N 427.555 1.596 30 10 IDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 543529212 IAVFQHWNWXISTJ-HXUWFJFHSA-N 434.496 1.927 30 10 IDEE CN1CCN(C[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc2)CC1 545478825 CPYVBMOKSYIYLG-JOCHJYFZSA-N 433.560 1.774 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)CC2)n1 545491191 CYYPINRKDOPZMV-PMERELPUSA-N 426.498 1.571 30 10 IDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1C#N 556274149 VOCWJMFOHFKHOV-HNNXBMFYSA-N 436.563 1.677 30 10 IDEE C=CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 569741502 OOXJUPZGAOIYLV-MRXNPFEDSA-N 440.566 1.612 30 10 IDEE CN1CCC(CNC(=O)N2CCN(c3cnccc3C#N)CC2)(N2CCCCC2)CC1 581405320 PZAVRVOFKRILRZ-UHFFFAOYSA-N 425.581 1.735 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 588152063 DIFOGOVASNGNLI-OAHLLOKOSA-N 431.583 1.422 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1C[C@H]1CCCO1 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749549186 CBDUJKCCLLFWRH-OFTPVTLVSA-N 427.482 1.898 30 10 IDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 750433781 HRTRUPWCGZRHBE-UHFFFAOYSA-N 427.482 1.177 30 10 IDEE CC(C)C1CCC2(CC1)NC(=O)N(CN1CCN(c3nccnc3C#N)C[C@@H]1C)C2=O 756877025 QCZMRSGMWMDKRX-YPHUNTSASA-N 425.537 1.953 30 10 IDEE N#CCOc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 760269595 HJHMPQMBVRAWHT-UHFFFAOYSA-N 431.470 1.497 30 10 IDEE Cc1ccn(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(=O)c1C#N 763176294 WKCAUAVZTUEDIX-RIYZIHGNSA-N 426.498 1.173 30 10 IDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1 768422873 VLHPESCNJYAYDK-KRWDZBQOSA-N 443.577 1.577 30 10 IDEE C#CCN(C(=O)NCCCc1nnc(SC)n1C1CCCC1)[C@@H]1CCS(=O)(=O)C1 774203006 WVLFAZKIGFOJNF-MRXNPFEDSA-N 439.607 1.880 30 10 IDEE COc1c(Br)cccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 774519532 FTCNCMFZRGSYBF-CQSZACIVSA-N 446.326 1.887 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 781647988 BPNYJTHFWZCADR-QGZVFWFLSA-N 426.542 1.568 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(SC(F)F)cc2)c(=O)n1CCN1CCOCC1 781655008 YDAWJOGRVLHDFJ-UHFFFAOYSA-N 448.520 1.583 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)Cc2cnn(C)c2)n(Cc2ccco2)c1C 786868685 FMZGYOJXNOYULU-SFHVURJKSA-N 425.445 1.437 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CC(=O)OC)c2cccc(F)c2)c1 789887816 FACHZJXMBQBSAQ-OAQYLSRUSA-N 432.473 1.946 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 792139546 ZUTKZNGJTSBXLJ-IBGZPJMESA-N 446.523 1.328 30 10 IDEE CCC(=O)Nc1ccccc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 795686539 LUOFYVYGHMSTHU-UHFFFAOYSA-N 425.445 1.709 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)CC2)c1 796737623 WQVGLVGHPXVNBC-UHFFFAOYSA-N 441.440 1.471 30 10 IDEE CC(C)n1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 796742555 BMXQPMGBXQICFA-QGZVFWFLSA-N 444.517 1.995 30 10 IDEE COc1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 810865636 GEPQFWBMFDEOTI-UHFFFAOYSA-N 433.461 1.657 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811230660 VAWJCXFCELSDDE-YOEHRIQHSA-N 436.534 1.598 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cn(CCO)nc3C3CCOCC3)C2=O)cc1 856669712 DOSIRKKZRRORKM-FQEVSTJZSA-N 437.500 1.566 30 10 IDEE Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cnn1C 916948059 CRHFXXMWUHBYIL-KRWDZBQOSA-N 429.502 1.864 30 10 IDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(OC)c(O)c3)n2N)c1 1084534404 UOIKPLVYVDJEIV-UHFFFAOYSA-N 443.489 1.892 30 10 IDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1129748683 MSQQQAQUNLCPLO-OAHLLOKOSA-N 446.447 1.847 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1154867711 VGEYPGYLBJROPC-SJLPKXTDSA-N 440.500 1.102 30 10 IDEE C#C[C@](C)(CC)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1194505562 QKTOBQFUFXHVGH-OAQYLSRUSA-N 437.562 1.825 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Br)c(C)c2)CC1 1229792118 PRFDXNICRRXQHJ-UHFFFAOYSA-N 429.340 1.052 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)cc(CNC(=O)C(F)(F)F)c2)C1=O 1272471756 VWUHBZWOYPOBPI-UHFFFAOYSA-N 426.351 1.089 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@@H]1CCCO1 1286282448 MUNNFNKTXOISKE-XLIONFOSSA-N 436.520 1.964 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(CCCCC2)O1 1286399218 BOCXOFGEDKBHBP-ROUUACIJSA-N 433.578 1.843 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCc2nccs2)CC1 1286492497 HFJQMZXGUJMERN-KRWDZBQOSA-N 428.562 1.837 30 10 IDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286605524 ZLTBPMYYXYHARA-HDICACEKSA-N 434.518 1.503 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286787986 NYXLDHQSFUTQOT-MJGOQNOKSA-N 446.596 1.851 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(C#N)o1 1288861554 AZOJWBZKQLIKIB-OAHLLOKOSA-N 447.565 1.466 30 10 IDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCO[C@@](C)(C#N)C2)CC1 1289339616 VCUCMVPFTGDBHW-IBGZPJMESA-N 436.490 1.445 30 10 IDEE COc1cc(I)ccc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1298434557 QYTMPCJTXVGLLG-UHFFFAOYSA-N 440.197 1.463 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1298555286 LJXDYFYBYUBSNG-QQMHEVNUSA-N 439.520 1.673 30 10 IDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)C1=O 1298879372 SZWPNHMGYDCANU-QFIPXVFZSA-N 434.504 1.577 30 10 IDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1298949122 MSRLPVJPESILQU-QAPCUYQASA-N 426.521 1.708 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300268252 PYYHNTYTRSYWOF-KRWDZBQOSA-N 438.532 1.487 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1300412071 QTZJBCXZGWDKCJ-IAGOWNOFSA-N 446.552 1.715 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300502795 XQLKNXSHMMSPFI-QGZVFWFLSA-N 442.570 1.590 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1300657367 YDHJUBLHGLBSBB-UHFFFAOYSA-N 427.530 1.728 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1300664140 NIONHDUUPUWKCI-JOCHJYFZSA-N 449.559 1.666 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300684912 CKOWMSSDSPRIOX-QFBILLFUSA-N 425.480 1.110 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1300716766 QOQRAJOUGYZOGO-QGZVFWFLSA-N 442.486 1.206 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2CCS(=O)(=O)CC2)CC1 1300722479 KEJKUEGAVJNBHH-UHFFFAOYSA-N 447.605 1.726 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1301296084 FFDQTJRKNYMLQQ-QGZVFWFLSA-N 438.573 1.787 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1301592679 BVYVHTHCIIWXOU-GOSISDBHSA-N 445.545 1.804 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1301965509 LGFRQDTWRNOINR-AWEZNQCLSA-N 436.538 1.817 30 10 IDEE COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C(=O)N2 1304126272 ULIPMMTWLGTYRO-PXNSSMCTSA-N 446.463 1.767 30 10 IDEE CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304272296 QPYSGLOLLKNLHV-CSODHUTKSA-N 431.514 1.430 30 10 IDEE N#CC1(C[C@@H](O)CN2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CCOCC1 1307667022 QJYQFFVHENFAKO-UXHICEINSA-N 433.574 1.915 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H](CC#N)C3)CC2)cc1 1307922995 FLSCTIPARGXYTR-GOSISDBHSA-N 432.546 1.348 30 10 IDEE CN(C)C(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)CCCC1 1314627470 ATAAIEMLWPLLDE-UHFFFAOYSA-N 435.532 1.744 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(C2CC2)C1 1315040181 CZKMXZUXMCSKRX-SFHVURJKSA-N 437.548 1.785 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)cc1OC 1315422680 CWUANULLVLPWRU-ZDUSSCGKSA-N 436.419 1.072 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1nncn1C 1316089624 IBJQICWQOKUGEU-LJQANCHMSA-N 436.520 1.874 30 10 IDEE COCCOC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1316226379 ZQINKHHBVJYVNY-ZWKOTPCHSA-N 435.525 1.113 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2COCCO2)cc1 1316533138 FDOBZVAYSZPTPU-MJGOQNOKSA-N 440.504 1.236 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316539904 HCLWQQGLWRECNA-MOPGFXCFSA-N 430.578 1.896 30 10 IDEE Cc1nc(=NC(=O)c2c(I)cnn2C)n(-c2ccc(C#N)cc2)[nH]1 1354304498 FGBFPZKIQRKXSW-UHFFFAOYSA-N 433.213 1.460 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2Cc2cnn(C)c2)n1 1359027693 SERCMKZAQLGKHI-UHFFFAOYSA-N 431.504 1.605 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1359051026 KDYUSWXTDIHTIV-INIZCTEOSA-N 431.543 1.444 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359207166 BHWUXAKPCDJLIU-HKUYNNGSSA-N 431.585 1.371 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359219484 RMKUMLDQDNJFCA-QGZVFWFLSA-N 438.598 1.475 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@H]1C 1359257843 XURLUAUKADVBFS-XGHQBKJUSA-N 449.577 1.621 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)s1 1441614789 NPCXXUSEIMNNIL-UHFFFAOYSA-N 433.555 1.964 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NCC3(OCCOC)CCOCC3)ccc2c1=O 1449793988 DIFUOAMPKPSDBE-UHFFFAOYSA-N 433.530 1.813 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(C(=O)OC)C[C@@H]1S(C)(=O)=O 1455388681 YGSUGXDNJRXLTB-BIENJYKASA-N 432.539 1.329 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(NCCN4CCOCC4)c(F)c3)CC2)cn1 1455476906 OGWDDNUICBHDNF-UHFFFAOYSA-N 438.507 1.799 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)C2CC2)c1 1464290864 RBSSZYBKDIILRW-LVZFUZTISA-N 427.548 1.795 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC2(CS(C)(=O)=O)CC2)cc1 1465259380 VLOCLCVJTJMVCA-UHFFFAOYSA-N 429.564 1.830 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CC1 1466111028 VPNRTYOWSJILCH-MRXNPFEDSA-N 432.468 1.345 30 10 IDEE N#Cc1cn(CCNC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)c(=O)nc1O 1470360130 DLBHVMXYFZAWNV-GFCCVEGCSA-N 436.255 1.297 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)ccc1F 1470436538 VWLGLMJRJMDOCT-INIZCTEOSA-N 446.460 1.813 30 10 IDEE CS(=O)(=O)N1CCC(CNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1475163503 CMACDZBXHPLIQZ-UHFFFAOYSA-N 436.353 1.271 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)cc1 1475261952 QYQAYKRMEXVQPY-LJQANCHMSA-N 430.592 1.866 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H]1C 1494479134 PRJOEAGRGSRCON-HZPDHXFCSA-N 432.550 1.760 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1494595047 ULLNJCQZQWWDEV-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507592603 TVARYKPZLRVCBV-HZPDHXFCSA-N 437.566 1.697 30 10 IDEE C#CCCCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507599276 NABBEOVGZQHAJO-HSZRJFAPSA-N 446.596 1.379 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1507629200 KQHLEEJSYXAJMV-GOSISDBHSA-N 443.529 1.414 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507632363 ZPGUOCJFIBWACD-HGHGUNKESA-N 429.546 1.518 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(S(C)(=O)=O)cc1 1507656323 GDVJZTCUUGNZIR-UHFFFAOYSA-N 436.541 1.664 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCC2 1507703971 KUSYXWMKUOYKLQ-UHFFFAOYSA-N 445.325 1.708 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1507711516 VXZQCWWCDGREAB-IBGZPJMESA-N 444.557 1.444 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507740786 FLGYXUWLEQFLDW-SFHVURJKSA-N 430.553 1.039 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1507850295 GBRCJQAMHKQWLT-AWEZNQCLSA-N 430.962 1.032 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1508821650 BSWPRWJBBJGRPR-SFHVURJKSA-N 438.536 1.147 30 10 IDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(COC)CCOCC1 1513913450 HFIOGSWVEMCMIT-UHFFFAOYSA-N 425.537 1.877 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516964264 UVUURUMYWYTYLJ-MRXNPFEDSA-N 428.928 1.648 30 10 IDEE COCCOCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1519399549 JLAXJXUMZAKCNW-IBGZPJMESA-N 441.536 1.428 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1519435603 FTFKKOLDXUVJNF-UVFQYZLESA-N 432.456 1.467 30 10 IDEE COCCN(C(=O)c1ccc(C#N)cc1F)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1531906985 GTXNJADRZWXPHK-UHFFFAOYSA-N 437.431 1.883 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)ccc1F 1536887145 ZCDFZRALXNBWOP-CQSZACIVSA-N 442.509 1.768 30 10 IDEE COc1ccc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1Br 1538761157 RTEVDRKWCAVVEA-SUMWQHHRSA-N 427.320 1.787 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1N1CCOCC1 1538966481 ZRIPQWQZUKINLR-QGZVFWFLSA-N 446.515 1.663 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 1539124592 GZZPVWUBBAGBQJ-VQIMIIECSA-N 447.561 1.927 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)CC 1539284489 PKBPUBYSZIOQHO-KRWDZBQOSA-N 449.577 1.858 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1539317672 FMPMLVHBAAPNAX-OAQYLSRUSA-N 434.544 1.681 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539318720 VWKXTYBYHVZVJN-CEXWTWQISA-N 426.565 1.580 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1539461927 MZGMXMAOPAUWLO-LJQANCHMSA-N 444.605 1.705 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1540865969 XYWJFYIIODZZSR-CYBMUJFWSA-N 447.337 1.677 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540873460 YLZPMYDXGCKCBU-QGZVFWFLSA-N 425.537 1.259 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nc(C)cs2)C1 1540883961 HVSMLDNENPAJGG-ZIAGYGMSSA-N 426.568 1.483 30 10 IDEE CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)CCn1cc(C#N)c(O)nc1=O 1545902981 FXXDMDKMRHDMMQ-UHFFFAOYSA-N 426.260 1.886 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1547314132 XGOXVJKLAPYNTR-PXNSSMCTSA-N 437.548 1.452 30 10 IDEE CCS(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(=O)NCCOC)C1 1548367726 JPNSRQUKPGWDJX-MRXNPFEDSA-N 448.467 1.180 30 10 IDEE C=CCc1cc(CNC(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc(OC)c1OC 1563814567 GASIBLUSQZPMAH-QHCPKHFHSA-N 447.532 1.592 30 10 IDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1=O 1568184478 UOUHBMQUVIPMJF-IHPCNDPISA-N 449.573 1.179 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)c1ccccc1 1570677783 NREHLCYGKHSWLC-RTBURBONSA-N 434.539 1.259 30 10 IDEE N#Cc1cn(CCNC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c(=O)nc1O 1585296166 PYWJYDDAZIZRMZ-UHFFFAOYSA-N 436.325 1.594 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1587783015 IFRZMNGWMKFGQQ-GOSISDBHSA-N 428.537 1.032 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1588387485 UTRATCKQPXANQX-HOTGVXAUSA-N 427.596 1.214 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 1595486665 DGINVULBRALQFY-UHFFFAOYSA-N 428.470 1.749 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595517513 ZUQQOEUFEFNLTO-TZIWHRDSSA-N 449.559 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCCCC2)C1 1595784848 LEUQBTSUBKIXKT-GOSISDBHSA-N 432.594 1.949 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(-c2ccc(F)cc2F)on1 1611046626 XLDXBMYYZGHYAG-UHFFFAOYSA-N 432.408 1.975 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc([C@H]4CCOC4)n[nH]3)C2)C1 1611592707 VGIBTUUZSQIWNP-XVRRPWEDSA-N 430.509 1.712 30 10 IDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1618242262 BVFCSYUNDMWROC-HSZRJFAPSA-N 438.532 1.711 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1620054652 MUVLXECMKMJGPC-MOPGFXCFSA-N 438.532 1.973 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1633261355 CSNFWJYHOOUREO-QGZVFWFLSA-N 442.541 1.515 30 10 IDEE C=C1CCC(CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 1634130927 CELHABFRPRLXBH-GOSISDBHSA-N 428.576 1.631 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)CC2)c1C#N 1634181265 HCTLQCXNMODXSP-KRWDZBQOSA-N 433.557 1.094 30 10 IDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 1634576685 DELGJAGEQFRMHV-SFHVURJKSA-N 433.511 1.044 30 10 IDEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 1635104224 JEXKTVWMBFGDKZ-HXUWFJFHSA-N 438.484 1.486 30 10 IDEE Cn1cc(C[C@@H](CO)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1635265437 LBLBIYTZICNAKX-SFUYWUKASA-N 431.537 1.474 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]3CNC(=O)c3cnn(C)c3)CC2)o1 1635452653 DTMYEXCDKCEJHI-KRWDZBQOSA-N 425.493 1.226 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCn4c(nnc4C(F)F)C3)C2=O)cc1 1635513365 DZKSBDRZGXKLAO-ZDUSSCGKSA-N 429.387 1.335 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1noc2c1COCC2 1635602609 UFAFSVRAQNHGPJ-HNNXBMFYSA-N 432.502 1.517 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 1641397130 GJZXZBBDTWXKRW-UHFFFAOYSA-N 439.545 1.187 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cnccc4C#N)C3)[C@@H]2C1 1644245615 XYRXEXWXUDEOIB-UAGQMJEPSA-N 427.461 1.608 30 10 IDEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648414593 SKQOPTHDSBQPHV-HRAATJIYSA-N 448.545 1.742 30 10 IDEE N#C[C@]12CN(C(=O)Cc3csc(NC(=O)c4ccccc4F)n3)C[C@H]1CS(=O)(=O)C2 1653068558 CPMRBMIMMLXRDU-HXPMCKFVSA-N 448.501 1.474 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@]23COCCN2C(=O)COC3)cc1 1658661552 UTNGAPXVVGFTDH-QFIPXVFZSA-N 428.489 1.250 30 10 IDEE N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 1663771364 IBXOIRLRWUJWCQ-UHFFFAOYSA-N 429.458 1.263 30 10 IDEE C#CC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1666758898 LCTJPUIWTMCLAM-NVXWUHKLSA-N 437.518 1.420 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1670762333 FKOBAVBPFBWOBT-MRXNPFEDSA-N 447.561 1.710 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)C1 1679943833 CGFDXRQQDJWASW-USNXZVQNSA-N 426.539 1.400 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCC(C#N)(C(=O)OC)CC1)Cc1ccc(OC)c(F)c1 1682261904 BWRSTYULCCVWPH-OAHLLOKOSA-N 434.468 1.227 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)N(C)CC(C)(C)C#N)CC2)cc1 1686984303 UAJDXUIUWHOGKE-UHFFFAOYSA-N 437.566 1.338 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 1689851848 WJBWTLJGLWJIFI-NVXWUHKLSA-N 444.561 1.780 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1689881240 KOEXYPWKAUDXON-QGZVFWFLSA-N 433.520 1.781 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(c2ccccc2OC)C1 1689946351 POZBJBKTBMLYMB-IRXDYDNUSA-N 446.577 1.493 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1689978101 MNNMTCZKFCCPAT-HNNXBMFYSA-N 435.575 1.461 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1689984905 XVCNHCSRYMOHTL-QGZVFWFLSA-N 441.513 1.925 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)c1ccccc1 1690077070 HZGRXKCFRBCZGL-OALUTQOASA-N 447.561 1.458 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)COC1 1690100937 IQVPPKNVCDBOMD-UHFFFAOYSA-N 432.550 1.361 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)F)cc2)CC1 1690122433 QSOIUIDFMQOITO-QGZVFWFLSA-N 430.459 1.634 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1690251342 SRTKBZCWUUKYTL-GCJKJVERSA-N 444.580 1.734 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690299066 CXAKUXUQAQSITN-BZSNNMDCSA-N 441.598 1.686 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1690464766 KFAYJESMQWRDCI-ROUUACIJSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690674299 WCEMISPPGPRTHF-WMZOPIPTSA-N 439.520 1.059 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1690677005 KOSDQBLPKFNJMM-VGSWGCGISA-N 443.552 1.035 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1694351863 MNOMVHVVYLXVNO-AYOQOUSVSA-N 429.569 1.798 30 10 IDEE CN(CCc1nccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1696788071 ASATXZSCIXWRHJ-ZDUSSCGKSA-N 432.531 1.829 30 10 IDEE COCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1698224771 LTVIHWMLVIGGKW-NRFANRHFSA-N 444.515 1.557 30 10 IDEE CS(=O)(=O)c1ccc(OCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698300001 KGRCVTAQKHGQRU-FUHWJXTLSA-N 447.517 1.341 30 10 IDEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1698452166 JGEYRACVVYFPET-CABCVRRESA-N 433.513 1.042 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC 1705483477 VZKGFYYIYKCSDG-GFCCVEGCSA-N 426.340 1.715 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(NC(C)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1705562055 YBLJGGKADYNCOJ-MAUKXSAKSA-N 444.561 1.820 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1C 1705580502 KPFYYEUWNGXYQM-ROUUACIJSA-N 440.573 1.984 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@H]2CCOC2)cn1 1705587668 DRYFKPKXLYWXCH-ZJOUEHCJSA-N 438.532 1.476 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705606081 WUSCEBKCHYNVRZ-OAQYLSRUSA-N 447.561 1.280 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C=C)cc2)CC1 1705639702 UOPAMAWANQFVGO-NRFANRHFSA-N 439.585 1.821 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705701577 CLIBOUDOOHMTCU-HBFSDRIKSA-N 427.553 1.964 30 10 IDEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728699 SKOJAAVOXPUTNJ-GCJKJVERSA-N 433.553 1.722 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(CC)nn(C)c2CC)CC1 1705762851 KEPBBCYNMDZQCX-HNNXBMFYSA-N 435.598 1.951 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705843904 QPZODHBHHQVHLE-KRWDZBQOSA-N 427.534 1.944 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705895858 VKEYMVCKGGDRPN-KRWDZBQOSA-N 432.912 1.242 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705896785 XZIXWCKZJCOJGD-KRWDZBQOSA-N 439.476 1.357 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 1705901874 YQQMKVJJFVDILI-HNNXBMFYSA-N 447.337 1.930 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C 1705908602 DZBDYPQPUSWVSI-UHFFFAOYSA-N 428.512 1.979 30 10 IDEE CO[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1711513328 CCQNFKWEONILFR-WMLDXEAASA-N 427.484 1.601 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1722298120 VREMIFXIYYDEFA-GOSISDBHSA-N 433.560 1.972 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1722428966 DMKWZJXGQIXGLK-AZUAARDMSA-N 428.581 1.933 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722456476 ZYVPBUTWBNGYHX-UHFFFAOYSA-N 434.591 1.615 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1722500646 CNFLBKXTIURAPC-WVBUVRCRSA-N 430.553 1.344 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1722706623 VLDQKSDDNNEISE-UHFFFAOYSA-N 439.925 1.048 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nc(CC)ns2)CC1 1722727758 LAUMDNXHHPNWTA-UHFFFAOYSA-N 425.584 1.182 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1728805958 DSCMXOFIWGOBCI-LTUZMPEJSA-N 430.509 1.445 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CCO1 1730590120 VTFVXOSJORFFSX-IBGZPJMESA-N 426.521 1.831 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1730763322 FKJAMFVVAYFORA-KNQAVFIVSA-N 426.521 1.968 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(=O)N(C)CC)c1 1740563242 RKMXUEJXCLZOID-SFHVURJKSA-N 438.532 1.707 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1740657823 ZEOZGCQRHCGAJN-SFHVURJKSA-N 447.561 1.122 30 10 IDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1740673928 NCRSUZIZPMCPIG-UHFFFAOYSA-N 435.575 1.554 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1740716957 FLWQBQMUAOWYFJ-INIZCTEOSA-N 439.607 1.358 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1740960416 RCGMYCNHIYXANW-HZPDHXFCSA-N 430.484 1.666 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740961150 NDPWOKUAWREBMF-WZONZLPQSA-N 425.533 1.864 30 10 IDEE CC(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1741342225 YFHXUGYUVWSJHU-MMYRVIJDSA-N 427.509 1.175 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1746540400 BCBIPDYUPSOAPP-SFHVURJKSA-N 441.517 1.295 30 10 IDEE CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747419727 FDCPHPFDDLSLNY-UHFFFAOYSA-N 429.550 1.259 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C#N)CC1 1747538905 DWAZKGUPBJDHLX-UHFFFAOYSA-N 445.549 1.024 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1748293335 HHAVIMUHBCPJBW-SFHVURJKSA-N 440.533 1.441 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1748875111 JYAQFCHKWUMEPS-QGZVFWFLSA-N 436.482 1.861 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1748901497 ZPTNFWHCIXZCDV-PMACEKPBSA-N 426.565 1.363 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)nc1 1748948450 NJIBVQNONJRREC-UHFFFAOYSA-N 448.531 1.538 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCOCC1 1748956889 MVQUACIBMUOCLC-UHFFFAOYSA-N 430.505 1.590 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)CC1 1748990272 WPADBCVEZPBFAP-IBGZPJMESA-N 438.532 1.318 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1749034094 WCAWHJVUNRYSNR-CVEARBPZSA-N 432.594 1.727 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1749114838 HVKWJKVEPBWYPZ-KBPBESRZSA-N 428.331 1.612 30 10 IDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749220441 HPYJIWNPJJTQCG-INIZCTEOSA-N 439.524 1.408 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749456785 AOOVDHRYVSFNQV-SQNIBIBYSA-N 440.566 1.157 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1749600237 SUZJKCPDRURHLG-YVORESIASA-N 432.612 1.366 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)C1 1749718278 UUAIUYQRADWRKD-IAGOWNOFSA-N 437.566 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)CC(C)(C)CN2CCOCC2)nnc1C(C)(C)C 1749740167 RMQYQNKOBBXEGC-UHFFFAOYSA-N 441.642 1.971 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749741238 UTZNJROQVNFNGX-KRWDZBQOSA-N 449.625 1.078 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749773963 WWAHJCXEIGEUDF-VHEBQXMUSA-N 443.552 1.549 30 10 IDEE COCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1750105563 SRQGPFDIBQOSOA-LJQANCHMSA-N 441.536 1.776 30 10 IDEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O)N1CCOCC1 1750587284 HCEDMAXRFOUVFQ-XLIONFOSSA-N 439.564 1.874 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)C1CCCCC1 1751227345 XOPCRQMMOUGAIC-HNAYVOBHSA-N 441.577 1.595 30 10 IDEE Cc1cccc(-c2nnc(N3CCOC(C)(C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1751624583 HKVAZDMZBJLZCS-CZIZESTLSA-N 437.504 1.790 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1760118176 ZIVUTVWOJMBZQV-LSDHHAIUSA-N 433.509 1.207 30 10 IDEE C#CCCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760143721 PMHHHKRGKBZJFH-NZQKXSOJSA-N 431.581 1.892 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1760188144 IMDCHXMRIPGOAY-GOSISDBHSA-N 425.514 1.441 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760192619 KWYLJHKYCDFWEE-GUDVDZBRSA-N 437.610 1.733 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1760220277 FSULQXOPPXQZBV-LJQANCHMSA-N 437.519 1.966 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSc2nccs2)CC1 1760251602 CVXFFKXHTZGGMV-UHFFFAOYSA-N 445.618 1.908 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1760264496 QGGKIGPEIYKDEP-RXVVDRJESA-N 443.523 1.803 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(CC)C2CC2)CC1 1760272076 XMXUJAWASLGJAC-UHFFFAOYSA-N 435.576 1.714 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1760533397 FXMPOIPXFZPANC-SJORKVTESA-N 437.566 1.120 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763828238 RPEZWRWBWIRVOO-XIILPOPJSA-N 441.536 1.280 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCSCCCO)c1 1770735036 BWAXZHWEPRBLFZ-KRWDZBQOSA-N 427.534 1.146 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cn2cnc3ccccc3c2=O)cc1 1852113213 XTLBEDTZENALIN-FQEVSTJZSA-N 448.479 1.591 30 10 IDEE C=CCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O 1857784040 KGJIVLVRKRBNOW-JAZQRGJZSA-N 429.466 1.015 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)/C=C/C(=O)O)nc1C 1858727749 YPEQRQOIDPMPLM-VOTSOKGWSA-N 446.441 1.786 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1868824043 VGLWMINKUMRIQN-AZUAARDMSA-N 434.558 1.835 30 10 IDEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870945394 YRNQYQSCSRGOLQ-UHFFFAOYSA-N 438.484 1.776 30 10 IDEE Cc1ccc(O)c(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1874275543 XMKQVVFZMIDDCB-DKNGMTOASA-N 430.534 1.866 30 10 IDEE C=CCN(CC=C)C(=O)c1cc2c(NCCN3CCOCC3)ncnc2n1CCOC 1875223893 STWJECUDWQDBHG-UHFFFAOYSA-N 428.537 1.636 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@]2(CO)CCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 2022845423 HZDMAUOTHLDTPR-VFNWGFHPSA-N 438.525 1.577 30 10 IDEE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060632649 DLXRQNKUSRAARR-AWEZNQCLSA-N 436.318 1.644 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676220 GZPHKBSTTOEKRM-CMPLNLGQSA-N 427.332 1.655 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1(C)C 2248487670 UWQGCGMIZKYRNB-LJQANCHMSA-N 438.359 1.891 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630069 FINMJSIHCOIJAM-KBPBESRZSA-N 436.318 1.073 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255702948 NDCHWKDUGWSFIC-ZIAGYGMSSA-N 436.314 1.679 30 10 IDEE CN(Cc1ccccc1)C1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255740636 DOKQCNQXMCWICW-UHFFFAOYSA-N 443.378 1.886 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267184929 PMDDJLJCHTWBSN-SQWLQELKSA-N 446.357 1.705 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(O)(CNC(=O)OC(C)(C)C)C1 2267223931 JAGGXXQPTKIDQI-UHFFFAOYSA-N 449.357 1.519 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@H]3[C@@H]2CNC(=O)OC(C)(C)C)n1 2267496056 UGSBNPYFBSVGIX-LZWOXQAQSA-N 446.357 1.705 30 10 IDEE C#CCOc1ccc(Br)cc1CNC(CO)(CO)CNC(=O)OC(C)(C)C 2280456445 VOBHLJIPHGCMOQ-UHFFFAOYSA-N 443.338 1.799 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(F)(C(=O)O)C3)cc2Cl)OC1(C)C 2284393485 LMOACAOEEUJSMT-UHFFFAOYSA-N 425.696 1.498 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2315530837 MIBUBJGSEZCTSR-NRFANRHFSA-N 434.346 1.849 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2315531721 FLJIXMOERHFTQO-KGLIPLIRSA-N 434.346 1.895 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 2315535331 YEUXQGWYEJFLAR-CQSZACIVSA-N 434.346 1.706 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@]2(CNC(=O)OC(C)(C)C)C1 2337192254 JTZVSAJUUDMGOJ-FPTDNZKUSA-N 446.357 1.706 30 10 IDEE C=CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(F)(F)F 3349831 NMJWCRDHPKMZIS-GFCCVEGCSA-N 440.465 1.185 30 10 IDEE N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 32831390 XWQCFDGBQSEVBJ-UHFFFAOYSA-N 435.506 1.244 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cscc3C#N)CC2)c1 432048676 SPTBUKSHJXHPAO-UHFFFAOYSA-N 425.513 1.615 30 10 IDEE Cc1c(Br)cc(C#N)c(=O)n1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F 461432056 STHNZQIUPFAIBZ-UHFFFAOYSA-N 442.266 1.972 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 465237690 NGJXWKAIOZEZMX-OAHLLOKOSA-N 437.508 1.346 30 10 IDEE C[C@@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC(=O)N1Cc1ccccc1 466797588 VOYBGSIJRCDLJZ-UZLBHIALSA-N 440.525 1.798 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C1CCN(c2cnccn2)CC1 469197711 HLDZBMWWUAQRMZ-HNNXBMFYSA-N 428.518 1.142 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 484539132 CNHABTGMQQNHQB-AWEZNQCLSA-N 447.607 1.229 30 10 IDEE COC(=O)[C@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(F)cc1 485055228 JJGYVWKQMUPCPS-HXUWFJFHSA-N 433.461 1.836 30 10 IDEE Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1F 503700227 VLESZLWIUQEVTF-UHFFFAOYSA-N 430.461 1.477 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 505700579 QBYWKKLHRMDPEW-OAHLLOKOSA-N 428.558 1.639 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN([C@H](C)C(=O)Nc4ccccc4C#N)CC3)C2=O)n(C)n1 506576435 JPQLVFDUUVPVJS-NQIIRXRSSA-N 449.559 1.740 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 506696080 NRVIEDHHOROFOT-WBVHZDCISA-N 427.548 1.212 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 508858308 RHEXODLQIWLVPY-FQEVSTJZSA-N 429.550 1.449 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 514475209 SPZYQYSCYIKVBB-SFHVURJKSA-N 425.554 1.679 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C(N)=O)CC[C@H]3C)nnc12 518752964 BKZWIURUKQDGCY-ZIAGYGMSSA-N 440.529 1.435 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCN(c4ccccc4)C3)CC2)c1C#N 521933547 AJJXGOUTZNMGHJ-IBGZPJMESA-N 449.559 1.282 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)n(Cc2ccccc2)c1C 532573437 SZVHNPDUETVCFZ-SFHVURJKSA-N 429.546 1.587 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 535138265 URNOALFUXJJVDU-AWEZNQCLSA-N 447.919 1.687 30 10 IDEE CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nccs1 541596950 OKUOAZLIVOVZLT-MRXNPFEDSA-N 433.559 1.589 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2CCOC[C@@H]2C1 549692941 YBIULFPTXRCFTI-SFHVURJKSA-N 446.577 1.292 30 10 IDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2C#N)c1=O 551920375 WACNWICIXSOHSY-UHFFFAOYSA-N 429.505 1.685 30 10 IDEE COC(=O)CC1(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCS(=O)(=O)CC1 574506940 AZTLBLUDXNLTKC-OAHLLOKOSA-N 437.493 1.150 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(COC3CCOCC3)c2)cc1 583902939 WPOJHGCQFVDROI-UHFFFAOYSA-N 443.525 1.849 30 10 IDEE Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 585470208 KBWLHOQNQFBZAO-UHFFFAOYSA-N 428.518 1.004 30 10 IDEE CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c1 589157121 KOCLSMZJNLAYMH-UHFFFAOYSA-N 425.510 1.055 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@H]1CCCO1 590915193 WYNMBTKXUHRZQX-OAHLLOKOSA-N 432.571 1.273 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(C#N)cc2F)c1 609240998 FBOXQGZMEYHHQW-UHFFFAOYSA-N 446.504 1.774 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 609311316 HXDKOXPNOFRPTM-UHFFFAOYSA-N 444.513 1.512 30 10 IDEE C=CCn1c(COc2ccccc2F)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 735073659 RXRABTUPXXNGHL-AWEZNQCLSA-N 441.554 1.899 30 10 IDEE COC(=O)[C@H](Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 739990003 IYRHPLDGBRDKGN-HXUWFJFHSA-N 445.497 1.914 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CSCC(=O)OC(C)(C)C)c1 741182668 BTYPQSHVVRLNLZ-UHFFFAOYSA-N 432.542 1.935 30 10 IDEE C[C@H](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742483477 SVXBGRUMAGVAEB-MRXNPFEDSA-N 446.573 1.755 30 10 IDEE COC(=O)[C@@]12CCOC[C@@H]1CN(c1nnc(-c3cccc(C#N)c3)n1C[C@H]1CCOC1)C2 752843864 DEPOPVCWIPTZNN-HFJQGTKSSA-N 437.500 1.869 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)C1=O 763654357 DXWGEMWPEFBYOJ-AWEZNQCLSA-N 444.488 1.865 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 788818921 BVHHLEAEZBHKFC-OTWHNJEPSA-N 446.573 1.398 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC2(O)CCC2)C1=O 790017042 XKOSMHSOFJMOIL-GOSISDBHSA-N 443.573 1.863 30 10 IDEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1 796937342 INLWOUUFTJABQI-UHFFFAOYSA-N 442.516 1.908 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(OC)ccc1Br 800013284 XHQWWWVZDFCBPP-CYBMUJFWSA-N 436.349 1.410 30 10 IDEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)c(F)c1 802571612 IEMFPGLHORMNEL-LJQANCHMSA-N 437.406 1.540 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 804190258 SNQVGDJNAAZNPY-UZLBHIALSA-N 427.567 1.662 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 805130958 FAEBVTLJOTZDOV-FQEVSTJZSA-N 433.574 1.893 30 10 IDEE C#C[C@@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1131469777 YOYUXTABVDUPPB-MRXNPFEDSA-N 428.551 1.345 30 10 IDEE N#Cc1ccc(C2(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CCOCC2)cc1 1132355780 APZNHNUTSTWUQR-UHFFFAOYSA-N 445.497 1.608 30 10 IDEE C#CCONC(=O)[C@H](CCSC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 1166327008 DNQCVXDRTCJNEK-HNNXBMFYSA-N 447.966 1.123 30 10 IDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)nn1 1180403422 KPCAEWBDDOKMPE-UHFFFAOYSA-N 433.534 1.537 30 10 IDEE COc1c(C)[nH]cc(CN(C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1=O 1196640508 YGTPMZRAYIVVDM-KRWDZBQOSA-N 429.546 1.594 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1286393511 FDKSIZNLIXABKY-GOSISDBHSA-N 443.529 1.392 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1286628781 GGQBETZVUIMYMI-GJZGRUSLSA-N 433.962 1.226 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286778727 DYWYKZXBGMYHFQ-GJZGRUSLSA-N 430.484 1.526 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCSCC2)C1 1286802882 FBHXPXJDWPCUAW-NQIIRXRSSA-N 437.610 1.760 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1286805164 PVLADQVBSKXAKU-GOSISDBHSA-N 449.515 1.318 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCOC1 1286824934 KJRXXUSNNBCUBU-OCCSQVGLSA-N 428.465 1.903 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cccs2)cs1 1290435712 YPBJHZNORIWQJF-OAHLLOKOSA-N 443.558 1.854 30 10 IDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)[C@H]1c1cnn(C)c1 1292764089 HMFAOKZIHQEZQR-YPAWHYETSA-N 445.479 2.000 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@](F)(C#N)C2)n1 1298909050 YIFNWBBICWUBRQ-OAHLLOKOSA-N 435.265 1.060 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@@H]2CCOC2)cn1 1300328298 JJCADXNBOXNCIF-XSYGEPLQSA-N 428.537 1.861 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300483508 KNSFKMVLMGSTOC-ROUUACIJSA-N 438.594 1.862 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1300485600 XLKYDIDDCAPXQE-ROUUACIJSA-N 438.594 1.788 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300495999 MNAZBBBUOVJCNV-INIZCTEOSA-N 447.609 1.888 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1300506374 RGUGSAACWHWPOC-RTBURBONSA-N 449.559 1.886 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1noc(CC)n1 1300531440 ADCWWKWGRYTYCA-UHFFFAOYSA-N 428.456 1.855 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301420910 LRCZOUBSTVGHOZ-GOSISDBHSA-N 444.561 1.737 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC(C)(C)[C@@H]1C 1301498397 NNPZPQGPFNFCRD-AWEZNQCLSA-N 437.504 1.900 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1301508634 OTDMCELHIFCJPW-QVKFZJNVSA-N 446.577 1.710 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cc(=O)c4ccccc4[nH]3)C2=O)cc1 1302806088 LNBRNHWCGUXWLQ-LJQANCHMSA-N 429.436 1.921 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1cc[nH]n1 1306012203 CTVGMGJWUTVPGJ-VFNWGFHPSA-N 449.508 1.742 30 10 IDEE C#CC(C)(C)N(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1307680929 ZCZWZSFNSWDENM-UHFFFAOYSA-N 448.589 1.590 30 10 IDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1309082954 BCJKCFBQZOHOJR-UHFFFAOYSA-N 440.497 1.363 30 10 IDEE C#CC[C@H](NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC 1309573910 SHCRYBZUIGDAFQ-SFHVURJKSA-N 437.495 1.606 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1 1310188935 RXCLLLSYZAAYRZ-KRWDZBQOSA-N 436.534 1.252 30 10 IDEE CCCNC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1313481165 HURJUWOLRGFREA-UHFFFAOYSA-N 446.519 1.245 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1358886039 WNGVPGBOWAXCIO-SJORKVTESA-N 436.516 1.938 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(C)c2C)c1 1358902020 CMIHFRHEQKLJOI-LJQANCHMSA-N 446.515 1.376 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1358968512 OEZCOJCIQAVVRD-KRWDZBQOSA-N 428.537 1.889 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)N(C)C)CC1 1359030824 HGPGYORAGPBYTC-UHFFFAOYSA-N 436.969 1.245 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCCC)CC1 1359042783 UEQXEHQIHGQDEY-UHFFFAOYSA-N 438.532 1.446 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCCC2)CC1 1359044318 BZHFAWOYRQYUNA-FQEVSTJZSA-N 428.581 1.624 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1359057131 STPNJXMTQHJJBY-DLBZAZTESA-N 426.608 1.800 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359340587 RWMTWPSFNJHMAQ-HNNXBMFYSA-N 441.565 1.735 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359345333 CAVASZMUIPWPGD-AWEZNQCLSA-N 447.590 1.403 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](F)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1435909846 BRNHTYJUGVCTKA-NVXWUHKLSA-N 434.516 1.844 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1441053279 ZMFUGNIPYDUPLJ-GOSISDBHSA-N 434.581 1.696 30 10 IDEE COc1nsc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1Br 1453795928 ANFMXWOZVRVCJB-UHFFFAOYSA-N 445.320 1.269 30 10 IDEE Cc1cc(C)c(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c(C)c1 1459212965 VQIIPQPNRMPMJL-UHFFFAOYSA-N 426.473 1.787 30 10 IDEE C#C[C@H](NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)[C@H]1CCCO1 1469869351 YJEKNWODPRVSHR-ZWKOTPCHSA-N 449.552 1.167 30 10 IDEE NS(=O)(=O)CCCCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1470330511 HOITZMDQNQGYRT-YUMQZZPRSA-N 447.348 1.868 30 10 IDEE N#C[C@@]12CN(C(=O)NCCCCn3cc(Br)cn3)C[C@H]1CS(=O)(=O)C2 1478563122 DCCNQFCOAFRBIZ-WFASDCNBSA-N 430.328 1.006 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCOCCCO)cc1 1505316105 WFLGGVGJOGYLND-UHFFFAOYSA-N 439.520 1.210 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1507520265 BXEDYJNVOXTIJE-NYHFZMIOSA-N 429.521 1.495 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1507704290 WMJZSPNKOXIRFM-LJQANCHMSA-N 449.353 1.610 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1CCNS(C)(=O)=O 1507772434 PFVXBNCDNHRBFJ-OAQYLSRUSA-N 431.562 1.961 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507833505 YFGVNXUEHLHLPQ-UHFFFAOYSA-N 429.569 1.111 30 10 IDEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1507838373 AYCDCZWAIIDSDQ-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1508091986 PUEOTFLSIZVGKG-KRWDZBQOSA-N 434.541 1.389 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1508095716 ZTFSUCCUXRXZDC-UHFFFAOYSA-N 444.561 1.550 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2OCCC2(C)C)C1 1508118516 XLPQXAWRPHHGIX-XHSDSOJGSA-N 427.571 1.485 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)C1 1508131667 OOIKYXSHCNYWMB-QGZVFWFLSA-N 447.561 1.572 30 10 IDEE COCCN1C[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1519190454 CKFLGIFSIYXBLQ-LJQANCHMSA-N 448.531 1.682 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(CC#N)cc3)c2)CC1 1530268749 KYIBVMTWVFJRRT-UHFFFAOYSA-N 440.525 1.535 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(C)(=O)=O 1539003852 QVOXZLQUNFFMFY-OAHLLOKOSA-N 428.518 1.997 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1539324109 PUTUMVFUVANKMF-UXHICEINSA-N 431.606 1.764 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1539401003 PHCOAMKNORZWME-RXVVDRJESA-N 434.537 1.559 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNC(=O)c2ccccc2F)CC1 1539483299 WBONDXQLQNZDNL-UHFFFAOYSA-N 426.496 1.375 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](OC)C(C)C)CC1 1539847997 KLGSCIBQBRYGSX-IAGOWNOFSA-N 427.571 1.438 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540194333 KQHQCBUDAXECMY-FQEVSTJZSA-N 436.534 1.142 30 10 IDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c1 1540506361 UUILWNAHBHWYOG-UHFFFAOYSA-N 444.509 1.194 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)C1 1540894807 FZRNNAXRSYRPJP-QGZVFWFLSA-N 428.493 1.091 30 10 IDEE C[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)N(C)C 1541869300 ORUZNWAUOASPHW-NCOADZHNSA-N 433.557 1.728 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1 1544508377 DQDORXWWIRJRIY-QFBILLFUSA-N 440.525 1.646 30 10 IDEE CN(CCCOc1ccccc1CNC(=O)Cn1cc(C#N)c(O)nc1=O)C1CCCC1 1545113174 JXYOXBJPGMYJMY-UHFFFAOYSA-N 439.516 1.780 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1545705505 BKKGCZRPFBBOAJ-NVXWUHKLSA-N 439.520 1.345 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@H](CNC(C)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1547904716 QBOURSIUNMHISX-VGSWGCGISA-N 442.520 1.796 30 10 IDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1555700743 UETOTUGMPODSNM-HSZRJFAPSA-N 440.548 1.515 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)C1 1555985556 QVNFSQGRRHWALL-PGRDOPGGSA-N 426.496 1.973 30 10 IDEE COc1cncc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)c1 1557782431 LNSFDOWFNYKLOG-UHFFFAOYSA-N 429.502 1.163 30 10 IDEE C#CC[C@]1(C(=O)NCCNc2cc(C)nc3ncnn23)CCCN1C(=O)OC(C)(C)C 1566179779 PSTNKGSMAGUGAI-OAQYLSRUSA-N 427.509 1.754 30 10 IDEE C=CCOC[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)C(=O)OC 1568154565 LSBGYNKQILPHCI-ROUUACIJSA-N 431.489 1.823 30 10 IDEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1568162591 BNZPBGHUOZTOGC-HNNXBMFYSA-N 446.916 1.837 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(N4CC[C@H](O)C4)CC3)C2)C1 1585071323 JWSMRCTVUUZCBB-DDPYSOHJSA-N 432.565 1.831 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1588044933 DBUHBYDSMBBLSD-CQSZACIVSA-N 425.461 1.249 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CC1 1588085058 YVPBYIGDJBNQIS-MRXNPFEDSA-N 429.521 1.832 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1588233239 DXSSFQQIHNPOPI-RBUKOAKNSA-N 431.562 1.430 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)C(=O)NCC)CC1 1588849030 VZQKVJMFFWLWBA-UHFFFAOYSA-N 429.594 1.551 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNS(C)(=O)=O 1589608697 LZMGODUMUHWWDN-UHFFFAOYSA-N 441.579 1.300 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1593741530 RKGKJLNHQLZOAE-ROUUACIJSA-N 432.569 1.811 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCCCO)CC1 1594097305 QJYFORQUOGTFQH-KRWDZBQOSA-N 427.571 1.320 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](n2cncn2)C1 1595497316 XRKLLSASQAOSOI-KRWDZBQOSA-N 437.464 1.589 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1595884060 GSIHOYQJMCWOEB-MAUKXSAKSA-N 428.580 1.095 30 10 IDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1597976389 HZYFEQRDKOVQPY-SFHVURJKSA-N 444.561 1.602 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1)c1cc[nH]n1 1611169490 GTFAKIIKJVQVIT-UHFFFAOYSA-N 437.497 1.457 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1614071376 KQXKLZZKVUWFDA-HXUWFJFHSA-N 437.548 1.644 30 10 IDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1614955916 FIAVPWFYDZVGCG-SFHVURJKSA-N 444.561 1.746 30 10 IDEE Cn1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc(Br)c1=O 1622159084 ACPRMTGBENOUNA-UHFFFAOYSA-N 428.239 1.836 30 10 IDEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1622819607 KJKCIGLGKTWGEH-MRXNPFEDSA-N 438.550 1.059 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1627136605 LUEBLZFUWBKPLN-WAOWUJCRSA-N 431.514 1.574 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCC3CCN(CC#N)CC3)nn2)C1 1629083293 YPHBQPRSIZXUHG-QGZVFWFLSA-N 431.541 1.815 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cn1 1632482890 LOOSCAIIOUZNSL-MJGOQNOKSA-N 434.431 1.421 30 10 IDEE CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@@H](C#N)CO)cc2)cc1 1636604839 DWJKQEPJIBBXET-HNNXBMFYSA-N 433.486 1.290 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cncc(C#N)c1 1638830450 AQKRSSMEZJOIPH-QGZVFWFLSA-N 434.905 1.456 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1648791046 DKOWXAUHOSKFED-CQSZACIVSA-N 433.324 1.742 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1649540640 GOKQEXZRVJFIMB-UHFFFAOYSA-N 445.531 1.706 30 10 IDEE CN(C)c1ccc([C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)N(C)C)cc1 1653421315 KUXUERNNDLNPEQ-OAQYLSRUSA-N 428.558 1.958 30 10 IDEE CN(C)c1nccc2c1CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1653817318 OXHFKBNZXGLYAV-LJQANCHMSA-N 432.484 1.809 30 10 IDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)COc1ccc(CC#N)cc1 1657454045 FYEMZCKTOODUCM-ICSRJNTNSA-N 447.532 1.977 30 10 IDEE N#CC1(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCCCC1 1683945043 ACBHXMOJLPIBGL-UHFFFAOYSA-N 425.477 1.621 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1 1689824772 WWMWGOJFACSMEB-INIZCTEOSA-N 426.521 1.390 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1689851865 WOECRZJNAMNITR-AEFFLSMTSA-N 432.546 1.712 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689991773 CEDVYMLNDPXXCR-XMSQKQJNSA-N 446.548 1.796 30 10 IDEE C#CCN(c1nnc(CC)n1CCNC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689992637 NKHWMHXQECOBDK-SFHVURJKSA-N 429.546 1.206 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1689993978 OMEMXKGSOIFYSQ-QGZVFWFLSA-N 436.497 1.404 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1690013166 DLVSYHZMVDXGST-FXAWDEMLSA-N 446.511 1.316 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1690082916 SWDOGTUMHWONRE-OAQYLSRUSA-N 436.560 1.761 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)c2cccs2)CC1 1690144261 RNWKOQXOHAENQH-UHFFFAOYSA-N 426.546 1.613 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690170547 MHFKQJXOWVFMTB-GOSISDBHSA-N 438.557 1.757 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1690496988 DKBCVKJTJUAQJL-UHFFFAOYSA-N 425.555 1.120 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCCOC)CC1 1690665786 POVJWHIIHRYVDB-UHFFFAOYSA-N 434.928 1.928 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690667804 IOXFYUZAFXSONL-UHFFFAOYSA-N 437.464 1.589 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690669191 XLZXHKPQLJXVSM-UHFFFAOYSA-N 425.537 1.834 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCC(C)(C)C)CC1 1690678292 RDAKXRQPAGXISS-ICSRJNTNSA-N 448.612 1.863 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1690700751 XAVPPTROHQGNPQ-IEBWSBKVSA-N 432.546 1.910 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690725718 ZTLSEYJJJXWSLB-NRFANRHFSA-N 449.552 1.571 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1690733836 OMRPFIWUGFGEBJ-HNNXBMFYSA-N 430.644 1.728 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1690982778 NFLKPGYWDZHZCY-UHFFFAOYSA-N 437.504 1.066 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(C)COCCO1 1691871567 VGWJYXTZCWKAAO-IIBYNOLFSA-N 426.525 1.584 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1OCC[C@H]1C 1692537834 KUSJECXYGTYNFA-SJLPKXTDSA-N 438.536 1.435 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](F)COC)CCOC1 1696061044 QPTFQRVBDUKDMB-IIBYNOLFSA-N 446.483 1.450 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1696838966 KCPAEHCBWNAIND-WIYYLYMNSA-N 445.545 1.636 30 10 IDEE CS(=O)(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1698317580 JTLCASNWWQHMRK-GOSISDBHSA-N 446.533 1.470 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705567103 UCUSXTLKZWNVBF-ROUUACIJSA-N 443.577 1.236 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1705567301 VXGIAWUQARZGOW-HOCLYGCPSA-N 445.574 1.566 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1705568506 OTDOVKNJXRAROI-QZTJIDSGSA-N 446.577 1.524 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)COC 1705576897 SRPWASBROFYIGO-QGZVFWFLSA-N 429.546 1.551 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccn(C)n1 1705610892 JANFQHVROZAHQM-UHFFFAOYSA-N 426.550 1.674 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1705637709 JDIAUIQHAMZFOJ-NRFANRHFSA-N 434.523 1.932 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(=O)(=O)CC 1705693667 JJFJIXMEAZRXPE-IRXDYDNUSA-N 439.582 1.366 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1COc2ccccc2O1 1705747183 HJHGEBHDGVCOOU-ZIAGYGMSSA-N 441.941 1.917 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCOCC2)CC1 1705781398 YFOQTRPLOOEWAI-HOTGVXAUSA-N 426.587 1.011 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C(=O)NC)C1 1705915103 AIAOMMFJEARYNJ-VGOFRKELSA-N 435.569 1.872 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705938195 PUVITELLQYBDJC-KDURUIRLSA-N 448.545 1.636 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CCOCCCO 1708152203 AIYBWEBJEDMKHZ-MRXNPFEDSA-N 428.541 1.351 30 10 IDEE CN(Cc1ccon1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1711125362 ABFOIKNKZBFCRC-UHFFFAOYSA-N 430.490 1.502 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C#N)c1 1711416029 GSWCPDHELCYBSB-CQSZACIVSA-N 426.506 1.287 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2CCOC2)CC1 1711419400 FHGOZHFTJHFAAN-LJQANCHMSA-N 444.561 1.619 30 10 IDEE C#CCCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722323566 WLXJAEWGEQESOJ-JTAQYXEDSA-N 431.581 1.891 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCOCC1 1722342710 WECBBVNUEKXWCY-UHFFFAOYSA-N 445.527 1.875 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1722380183 HMMUYUHGTIVBMO-UHFFFAOYSA-N 445.527 1.616 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1722398472 ZMDPKQDPJIBGJP-LJQANCHMSA-N 439.541 1.338 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CC(OCC)C1 1722419444 ARSMKJLYNWDYEB-KPRXVCGWSA-N 441.507 1.938 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCCCS(C)(=O)=O)CC1 1722439506 FCTFHDAGCFWVGI-UHFFFAOYSA-N 430.578 1.234 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1722654796 VTFOFGIZCRPWGY-CVDCTZTESA-N 440.548 1.497 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1722858961 XGNBQGYBFYQFFV-UHFFFAOYSA-N 435.492 1.175 30 10 IDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1728629860 DPDCZVQJIWQXLZ-LJQANCHMSA-N 428.585 1.387 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1728903099 AVVNQUKEJYJJER-HTAPYJJXSA-N 443.504 1.790 30 10 IDEE CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1729434208 GEIXWOPWKFROOS-JOCHJYFZSA-N 435.488 1.961 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCO[C@@H]2CCOC2)cc1 1731184883 KPTYGFJQZVMZNH-LJQANCHMSA-N 445.545 1.493 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740577857 RDOGOLSCKIYYDT-HOTGVXAUSA-N 426.546 1.788 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1740617988 ZXENCXFASHIJBI-UTKZUKDTSA-N 448.545 1.507 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740623761 AJSSMIVGMUKLLD-PMACEKPBSA-N 433.622 1.979 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624881 BLAYSGITBBXZEB-ZWKOTPCHSA-N 437.610 1.214 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1740640812 XBMQBEPZXIAAIT-HSZRJFAPSA-N 448.571 1.891 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2nc(C)c(C)s2)CC1 1740704002 FSDZJNUJQNCRKO-UHFFFAOYSA-N 436.545 1.823 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)CN2CCOCC2)CC1 1740706166 SAWWCURTFPSUSB-LJQANCHMSA-N 444.624 1.801 30 10 IDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N1CCOCC1 1740775884 IFIBECNWEZJIHF-UHFFFAOYSA-N 432.550 1.531 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)C1 1740980803 MXQDDLHHJZDVBU-XWBFJWKOSA-N 444.623 1.509 30 10 IDEE CC(C)(C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741165747 AVNVNXFUXAGXDF-MGPWXQLLSA-N 429.525 1.194 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCC[C@H](O)C1 1741662215 AYNWTKWMQHIBCV-PBHICJAKSA-N 439.520 1.502 30 10 IDEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)s1 1742738761 FKHGIHZERVDSJE-GFCCVEGCSA-N 431.547 1.894 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1742805839 HFSWSTITIHDVJJ-UHFFFAOYSA-N 438.513 1.714 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCS1 1743246105 VJFYYBGNCGUJJM-HNNXBMFYSA-N 435.575 1.820 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1743409940 LHDPNZQAXSJYIX-HXUWFJFHSA-N 439.564 1.890 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1748639014 AUSPAAOHMIXDEA-CVEARBPZSA-N 441.561 1.795 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1748891766 FSCAMGZBWPHZRQ-PXNSSMCTSA-N 440.525 1.688 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1748923020 QQFATAKGJMDEKA-HJPURHCSSA-N 436.516 1.674 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1749626241 YLLKHBOVWZQOQT-SFHVURJKSA-N 437.548 1.793 30 10 IDEE COCCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749656906 ZHBRKIWZHKIJAE-GOSISDBHSA-N 442.568 1.839 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749676892 GXRXXSMEDGBBAJ-MRXNPFEDSA-N 429.550 1.273 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749676893 GYBVPHGYBQWUQO-INIZCTEOSA-N 439.438 1.969 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1749683259 NQQBMZGCUFJNHI-BJLQDIEVSA-N 443.552 1.651 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCO[C@H]2C)C1 1749717160 HNBZKDZPPAHUKI-GCKMJXCFSA-N 447.561 1.591 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCOCC(F)F)c1 1750381196 KZVIBULYAYWRAP-UHFFFAOYSA-N 434.447 1.569 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(=O)N(C)C3CCCCC3)CC2)c1C#N 1751827328 BDWCWCMJGUGFEW-UHFFFAOYSA-N 439.568 1.618 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1760117441 PARHQECJGZYRDK-CRAIPNDOSA-N 429.546 1.436 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CCC1 1760172114 MQVLQILQUDBUPG-SSEXGKCCSA-N 427.578 1.823 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760189033 FVOICWPQACXNRY-SFHVURJKSA-N 446.548 1.940 30 10 IDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNS(C)(=O)=O 1760238621 CTFYPMWTWVQFTB-GASCZTMLSA-N 440.570 1.058 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCOCC2)CC1 1760262629 UFAIXIDATIZCQG-UHFFFAOYSA-N 442.995 2.000 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 1760274387 JBPMLWCYJUERIO-YJBOKZPZSA-N 429.612 1.650 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1760428505 XUXAQWHVMGXTET-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2nccs2)C1 1760515236 SURJITJFTLSSOL-OAHLLOKOSA-N 447.565 1.533 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760519107 RSPUSAFSSJEHRP-UHFFFAOYSA-N 436.538 1.009 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCOCC2)C1 1760534086 RJAUCRWEYSYZEL-GOSISDBHSA-N 433.553 1.739 30 10 IDEE C=CCOc1ccccc1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1760534456 YZIKMEJENZMWNE-JPYJTQIMSA-N 441.532 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2CC[C@@H]21 1760554440 DQRUCPDODHVEAD-PMPSAXMXSA-N 428.580 1.160 30 10 IDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C 1765537816 HCINUUNXCOGSBA-UZUQRXQVSA-N 437.548 1.737 30 10 IDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1766714211 ZXNVYWLTUGYGGM-UHFFFAOYSA-N 435.529 1.253 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccncc2Cl)CCO1 1769241568 JWOMPHVRPUDUIW-GOSISDBHSA-N 437.891 1.865 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@](C)=O)CCC1 1770202612 UKJVULBKRXLTHL-UHKRGJOXSA-N 425.530 1.745 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCC[C@@H]2CO)C1 1771530621 PKTAPMVIQVWSCS-KNQAVFIVSA-N 427.528 1.943 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ncc(C)s2)CC1 1772566361 FXYUTPLJJZLIFV-HNNXBMFYSA-N 429.550 1.680 30 10 IDEE C=CCN1C[C@H](C(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)CC1=O 1850961224 SZAWYAZBGHYEID-QGZVFWFLSA-N 435.484 1.322 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N2CCOC[C@@H]2C)cc1 1852540511 QKOUTVDTWIJEKK-HRAATJIYSA-N 443.525 1.704 30 10 IDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)NC1=O 1853347941 TWHFATTXXBHDPG-JTQLQIEISA-N 433.262 1.123 30 10 IDEE N#C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 1853389533 JHHQIWQVSMKASO-RISCZKNCSA-N 426.292 1.501 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1854286314 GDXDNJTWBKCRLX-RTBURBONSA-N 432.546 1.593 30 10 IDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855426714 HLANPYNWMGKAOA-CVEARBPZSA-N 433.530 1.775 30 10 IDEE CN1CCC(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CCC(C#N)CC4)ccc32)CC1 1855857473 MMXJCCVUZWOCEX-UHFFFAOYSA-N 430.530 1.368 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)C1(C)C 1856390322 XCGWJNXXTSRFRG-MRXNPFEDSA-N 437.537 1.862 30 10 IDEE CN(CCO)C(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869927879 GMGNQYVEKMVELV-GOSISDBHSA-N 426.498 1.268 30 10 IDEE COc1ccc(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1OC 1890307209 ABQXBCSDJIDHBM-UHFFFAOYSA-N 443.588 1.895 30 10 IDEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)cn2)cc1 1891589988 GWVQZLJSLJUUCL-GOSISDBHSA-N 446.467 1.651 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010545655 XVIXTZMAQZTLCV-UXHICEINSA-N 427.549 1.822 30 10 IDEE C[C@H](c1nscc1C#CCO)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130026827 SDFONHOSYPPJRC-CYBMUJFWSA-N 433.511 1.106 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247812497 PYQAYXUDVZMSOQ-HXUWFJFHSA-N 426.294 1.713 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2247829171 KLVHSOVFFPAEHW-KGLIPLIRSA-N 444.359 1.878 30 10 IDEE CC1(C)OB(c2c(F)cccc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2255525877 KWWCWAPFVLLTQU-UHFFFAOYSA-N 430.207 1.875 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255609594 IMWDHKOHDGIYSI-ZIAGYGMSSA-N 434.346 1.895 30 10 IDEE CC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2255645459 HFMLCUDUFRUCJA-UHFFFAOYSA-N 432.330 1.763 30 10 IDEE CCn1cc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255652545 WIJDJZLFDIYQDJ-ZDUSSCGKSA-N 436.318 1.483 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](O)C1 2255707337 VEGYGTRQUQIIBO-GDBMZVCRSA-N 435.330 1.414 30 10 IDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255880736 KHMFUZIRTQZJOU-UHFFFAOYSA-N 439.322 1.033 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2267495750 PQDLBGRLYVUMAO-MRXNPFEDSA-N 449.357 1.860 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267543818 KYERACAIXNXLHM-ZIAGYGMSSA-N 449.361 1.584 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268681166 PEQDBRFEVFJPIR-QFIPXVFZSA-N 447.341 1.939 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2303308163 MKQBLRCHXGANOX-XUVXKRRUSA-N 427.549 1.820 30 10 IDEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)N(C)Cc3nnc(CC)o3)n[nH]2)cn1 59832295 DYKJEEASOZSJKQ-CNHKJKLMSA-N 430.498 1.329 30 10 IDEE C=CCOC(=O)[C-](C[C@@](C[C@H](C(C)=O)C(=O)OCC=C)(C(C)=O)C(=O)OCC=C)C(C)=O 253611686 UJCPSIHNPIHJQL-JPYJTQIMSA-N 449.476 1.898 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409503434 XVCQPTDDLWMOHD-KBUPBQIOSA-N 446.403 1.691 30 10 IDEE C[C@@H](C(=O)N[C@@H](Cc1cccc(F)c1)CN1C(=O)c2ccccc2C1=O)n1cnc(C#N)n1 409639201 QKJRLHPOCVCWQM-YOEHRIQHSA-N 446.442 1.874 30 10 IDEE N#Cc1cc(F)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(F)c1 445743931 NVOVJNJWZQSVIZ-UHFFFAOYSA-N 427.454 1.849 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)cn1 461745783 LUMPRQAUQDTNIE-UHFFFAOYSA-N 425.408 1.715 30 10 IDEE CCOC(=O)[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(OC)c(Br)c1 464062889 RQWOKIMLWJTFHV-MEBBXXQBSA-N 436.266 1.902 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@H]1CCCO1 470448959 WLXQBZXNOIUORC-CQSZACIVSA-N 449.935 1.911 30 10 IDEE Cc1ncc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C#N 489056715 WELGQLOPCHVXTF-UHFFFAOYSA-N 434.543 1.915 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 504352545 RUGBDASMQGBOAM-SFHVURJKSA-N 437.562 1.643 30 10 IDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 508803776 YVVXZSLYWLTLCR-MRXNPFEDSA-N 430.490 1.804 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 508917547 CGWGGVZPKWHBJS-SFHVURJKSA-N 441.511 1.028 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccccc3-n3cccn3)n2)cc1 511730809 SFOMFAQKYZSVEA-UHFFFAOYSA-N 426.440 1.639 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)cc1 527520120 VGUSBWNHRHJVCG-LAUBAEHRSA-N 433.530 1.847 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C 535320732 JIDGCHOTDKWYDF-HNAYVOBHSA-N 428.514 1.041 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccccc1 539597558 SXOKDWSCKKDKOU-UHFFFAOYSA-N 434.521 1.640 30 10 IDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 541665298 JOXCXLMNBBMYRD-GOSISDBHSA-N 436.468 1.841 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OCC)n2)CC1 559000375 DXOKNMTVVNIXGB-INIZCTEOSA-N 447.565 1.272 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 580965421 OEOHDCSPGNKBNF-AWEZNQCLSA-N 426.568 1.588 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 603990129 MSFMDKGMIDLCPT-ZDUSSCGKSA-N 448.526 1.086 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CC2)nc1 610478436 WRTLGVPKANJRCR-UHFFFAOYSA-N 436.520 1.999 30 10 IDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cn2)CC1 614832041 CKUMSVUEVKVDSF-UHFFFAOYSA-N 425.514 1.705 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2F)c1=O 669652443 PJBHMEAFPZPKSN-UHFFFAOYSA-N 430.501 1.966 30 10 IDEE COc1ccc(C#CCN)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 707372150 CVOOUOULQUSYLW-UHFFFAOYSA-N 427.482 1.433 30 10 IDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 729332245 WZVORFGDWVRFCM-CQSZACIVSA-N 446.978 1.679 30 10 IDEE CC(=NNc1ccc(S(C)(=O)=O)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739411864 PXVHTESHVSLTDN-UHFFFAOYSA-N 437.543 1.947 30 10 IDEE COc1cc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1O 743324920 PVFJJSDDMHABOB-GFCCVEGCSA-N 433.486 1.543 30 10 IDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 743729135 WYIAZSXWNQZHTI-KRWDZBQOSA-N 444.557 1.050 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])c1 749158010 QTKPRWCTPNUWPV-UHFFFAOYSA-N 431.426 1.304 30 10 IDEE C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1ccncc1 749781628 XUJAPLDPSGHOPD-OEBSBLQASA-N 443.529 1.753 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)cc1F 751686931 KMSNVGQEQFENGE-RHSMWYFYSA-N 438.525 1.623 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCCO2)cn1 756081119 PWYFUGYEFRYPMR-IERDGZPVSA-N 449.577 1.659 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 760386055 BVVBMBDIIQDBDE-UHFFFAOYSA-N 428.514 1.388 30 10 IDEE C#CCN(C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CCS(=O)(=O)C1 774210838 LEEOPHJGAFYJAR-JKSUJKDBSA-N 425.501 1.761 30 10 IDEE CCN(C(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 780175036 GJDGLXMDYWGAPA-IQUTYRLHSA-N 430.523 1.215 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCSC2)cn1 794451402 VLVQJUTUBOJBPY-HUUCEWRRSA-N 437.591 1.595 30 10 IDEE C#C[C@@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(F)cc1 794911049 QGDJIWOBYHTBQJ-UXHICEINSA-N 445.516 1.846 30 10 IDEE CC[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 795330362 YTKZQDICLKUCQZ-SFHVURJKSA-N 427.548 1.171 30 10 IDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 795825781 QMORZMPXQIXHDN-HNNXBMFYSA-N 429.429 1.965 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=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 800429169 AFJSMQITNLMRON-VYMIKVQASA-N 425.510 1.765 30 10 IDEE CSCC[C@H](C(=O)OCCOC1(C#N)CCOCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 809085445 ZXURAEQQANQERG-YESZJQIVSA-N 438.546 1.916 30 10 IDEE CS(=O)(=O)N(c1ccc(OCCNC(=O)c2cscc2C#N)cc1)S(C)(=O)=O 814414150 HUKCHIXYZILVOC-UHFFFAOYSA-N 443.528 1.154 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 914595012 QALTYPMDVQSJEK-HZPDHXFCSA-N 425.441 1.835 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1OCC 917925623 IZOHSSSVBUZNPW-ZDUSSCGKSA-N 436.349 1.659 30 10 IDEE COCCOc1cc2c(cc1C=NNc1ccc(S(=O)(=O)NC(C)C)cn1)OCO2 920751088 QBVWVRIMIAVJNQ-UHFFFAOYSA-N 436.490 1.968 30 10 IDEE CC(=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1)c1ccc(F)cc1 1084164220 QGBQPNALEVRPRU-UHFFFAOYSA-N 443.468 1.215 30 10 IDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CN2CCCCS2(=O)=O)nc1C 1136666739 BLHUJAQCTSUOEZ-UHFFFAOYSA-N 428.565 1.549 30 10 IDEE CC(C)(C)OC(=O)NCC1(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1144903920 CETGPHASANEFCW-UHFFFAOYSA-N 436.534 1.536 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)n[nH]2)c1C 1156391783 CVSBBFDVSLHDNW-MRXNPFEDSA-N 432.550 1.716 30 10 IDEE CCS(=O)(=O)N(C)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 1161655951 FJYDOADUBCOOSW-UHFFFAOYSA-N 436.515 1.261 30 10 IDEE O=C(CN1CCC(N2CCCS2(=O)=O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1171108740 PUWYMNQEHVRFEO-UHFFFAOYSA-N 443.491 1.673 30 10 IDEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)C1CSC1 1171875448 GQOOAHGRUDJTPX-UHFFFAOYSA-N 437.587 1.859 30 10 IDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1175390859 UFLJJULDLNJJFZ-FXAWDEMLSA-N 436.553 1.656 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(O)(c2ccnn2C)C1 1175616983 WJKPKGDNJMOUOP-UHFFFAOYSA-N 435.278 1.562 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCn2cc(-c3ccccc3)nn2)ccc1F 1181339087 TVJWTHQAZDGUSC-UHFFFAOYSA-N 429.477 1.979 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@H]1C 1286273449 ITZQFWFBAWIRRO-GXZWQRSESA-N 431.924 1.859 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286388795 BUDOIFLKTOYGDE-LSDHHAIUSA-N 436.488 1.797 30 10 IDEE C#CCN(c1nnc(CC)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1286395001 QDHBJLWMHGORHQ-KRWDZBQOSA-N 429.546 1.723 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCS(=O)(=O)CC1 1286433370 RQDCOFKBOFOOIG-OALUTQOASA-N 434.562 1.290 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1286450481 HRVSRATYHXDSBI-UHFFFAOYSA-N 446.573 1.873 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2([S@](C)=O)CC2)CC1 1286489493 VDAKSPIWRLUJSV-PMERELPUSA-N 425.558 1.822 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286507748 DHXOQVZBNSDXCZ-KRWDZBQOSA-N 426.546 1.480 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1286546023 FLVMWIFHPWDDLF-QZTJIDSGSA-N 440.552 1.514 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCC2)CC1 1286792388 WONNERDBSULNJJ-UHFFFAOYSA-N 428.512 1.973 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286831615 AXEUQVZOTWCHTO-QZTJIDSGSA-N 434.610 1.444 30 10 IDEE COc1ccc(C(=O)N(C)CCc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1288043014 VZHCJNWJPRTAJH-UHFFFAOYSA-N 443.525 1.902 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 1290136376 SILGRDJGEKJWKN-QKBUSNMPSA-N 446.548 1.623 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(CCN3CCCC3)CC2)C1 1290288067 DNFCHTJKXQCURA-UHFFFAOYSA-N 446.393 1.997 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)cc1Cl 1293032764 OPCJARVFFPJWHK-IRXVASQBSA-N 427.848 1.207 30 10 IDEE COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)Cc1ccncc1 1293051859 NRFAKAFURLVEMF-SFHVURJKSA-N 429.498 1.921 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N(CCC#N)CC2CC2)n1 1298905626 GIBFGVMAHXQVRB-UHFFFAOYSA-N 445.329 1.748 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1300340112 VAROYWNISONZHB-CVEARBPZSA-N 440.570 1.407 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300499151 QDNPFGLARVRJDE-HOJAQTOUSA-N 445.589 1.952 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1300529613 NEZIDENDBQRMQG-UHFFFAOYSA-N 425.496 1.979 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300707159 WNBNRCYTXIATNB-AUSIDOKSSA-N 425.533 1.195 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NC(C)(C)C)CC1 1300725077 FWQQGKCWNVHDCE-GOSISDBHSA-N 444.580 1.443 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300857015 PKNJDIORDKWPEW-GOSISDBHSA-N 434.342 1.765 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1300907229 XHCMKOXXSGQWES-INIZCTEOSA-N 442.549 1.758 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(COCC)cc1 1301295763 ABQPSEAGWWPRNK-IBGZPJMESA-N 449.577 1.818 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301475833 ZWJLLLVMTYGAJL-QFIPXVFZSA-N 442.495 1.053 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1301508635 OTDMCELHIFCJPW-VFNWGFHPSA-N 446.577 1.710 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)C1 1302474477 BQPYQSIQKKHAFM-YJBOKZPZSA-N 438.554 1.654 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc3cccnc23)CC1 1302924603 PPGTVNAZFJKEBW-UHFFFAOYSA-N 437.319 1.223 30 10 IDEE NC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1303036933 WTAZKZXSNSZFIO-XUTLUUPISA-N 441.536 1.239 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCc2ccccc2)c2ccccn2)CC1 1313156249 OIUDCVGYOINPNK-OAQYLSRUSA-N 441.557 1.550 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(F)c2F)C1 1324332494 DSVFITGGFSWFRI-BXUZGUMPSA-N 439.488 1.836 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1358885528 LQUXRAXIUMRCDX-PBPSECFOSA-N 436.516 1.673 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)CCC)c1 1358902016 CLYNHMXNJKRULC-MBSDFSHPSA-N 438.532 1.837 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C 1358930144 PGQYIYMCAGILTL-JYJNAYRXSA-N 427.596 1.355 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C(C)C 1358940374 WAKLAQVRWLCWPI-UHFFFAOYSA-N 431.566 1.388 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359037840 ZEQCJNIECGYBOT-GOSISDBHSA-N 433.603 1.653 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(F)ccc2OC)CC1 1359043661 CNKAZSNTJSPQBH-UHFFFAOYSA-N 449.490 1.897 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1359105109 KBZLZYITXQQMFE-QLDGJZPUSA-N 433.553 1.626 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OC)CC1 1359179012 JGAMBLACDGQFMW-INIZCTEOSA-N 427.571 1.438 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1359292685 VXCPFYYXHUIJCI-KGLIPLIRSA-N 438.529 1.527 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)C1 1360034745 HISMAQPHWPFRLF-NHCUHLMSSA-N 435.532 1.902 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1Cc1ccc(C#N)o1 1360222911 AHKMCNLXJGGVHY-HNNXBMFYSA-N 427.509 1.670 30 10 IDEE C[C@H](CN1CCCCC1)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1360596777 HBBQFHJWFVUDJB-QZTJIDSGSA-N 438.536 1.776 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1452493073 XTWPJVVPZJKPSL-QGZVFWFLSA-N 443.485 1.482 30 10 IDEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)CC1 1453844410 YIBBHNWYMLLETL-UHFFFAOYSA-N 428.466 1.816 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(C)ccc(Br)c3[nH]2)CC1 1455115346 OGMPUNMTLKBCAI-UHFFFAOYSA-N 439.335 1.464 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 1459886476 MLZRRQRMAXYOQN-HNNXBMFYSA-N 449.602 1.158 30 10 IDEE C#CCN(C(=O)[C@@H](C)n1cnc2c(N)ncnc21)C1CCN(C(=O)OC(C)(C)C)CC1 1471881106 GCOXYKSJPSQYIJ-CQSZACIVSA-N 427.509 1.831 30 10 IDEE N#Cc1cccc(CN2CCC(NS(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)c1 1475445604 CGPWEKITQJZFEC-SFHVURJKSA-N 425.576 1.267 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCOC1 1503416032 RYBGIWPJOJTYMX-WMZOPIPTSA-N 430.534 1.323 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCOC[C@H]2CCOC2)c1 1505313712 DXRCYUPQELTBGX-QUCCMNQESA-N 438.532 1.962 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1507560119 BQPQWTMVKNGVLL-SJORKVTESA-N 436.582 1.141 30 10 IDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507581383 UPFXXUCNTHOIOX-HNNXBMFYSA-N 439.911 1.939 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1507633171 CBHVYOWOLXWFFY-GOSISDBHSA-N 444.586 1.762 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1507668350 YJNPPPMRIAZOEI-SFHVURJKSA-N 446.511 1.460 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507711351 UJGHUVOQQDDAGX-IRXDYDNUSA-N 445.486 1.521 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSCC=C)CC1 1507726719 KSUQSAHKOQCSNV-UHFFFAOYSA-N 430.603 1.944 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1518519471 WVLAXDITDDCPFA-LEWJYISDSA-N 428.468 1.786 30 10 IDEE CSCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1520394356 BPBDSNUBXKWKPJ-HOCLYGCPSA-N 441.627 1.208 30 10 IDEE CN(Cc1ccc(C#N)cc1)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1533099972 JDVXINDWJFUVPB-DYESRHJHSA-N 433.530 1.798 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539116055 JZPUNZFMSNTNGM-UHFFFAOYSA-N 448.549 1.185 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1539220968 MSMYTCSXKCCIPV-IAGOWNOFSA-N 437.566 1.061 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1539312431 PUQPIKHUSZHBIF-UHFFFAOYSA-N 444.586 1.182 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1539750939 FACUIOZMLDCBKM-ULQDDVLXSA-N 439.582 1.296 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540870657 SSSWJQJYFVPLSV-GOSISDBHSA-N 443.552 1.401 30 10 IDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1541063838 AKTAUPKLBPWCBQ-UHFFFAOYSA-N 445.474 1.551 30 10 IDEE C=C[C@@](C)(O)CC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1542585626 IMJIRODGRKFOJX-LJQANCHMSA-N 427.523 1.755 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1545544458 XDXOFOCRWQDQIS-INIZCTEOSA-N 446.581 1.276 30 10 IDEE CN(C)C(=O)c1cccc(CCn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)c1 1552656497 DZKKSYNWDAXHHO-LJQANCHMSA-N 433.516 1.957 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1552859104 XOSCMDOJGCRONN-UHFFFAOYSA-N 448.579 1.860 30 10 IDEE COC[C@]1(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CN(C(=O)OC(C)(C)C)CCO1 1556824413 GAXBHZONYVJGJA-JTSKRJEESA-N 446.504 1.585 30 10 IDEE COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1557133602 QTWBKQLOHFTFOU-SJLPKXTDSA-N 442.541 1.876 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370101 HZSPLDUKQNZFIK-UHFFFAOYSA-N 441.594 1.909 30 10 IDEE CCCn1c(CCC(=O)N[C@H](CC#N)C(F)(F)F)nc2cc(S(N)(=O)=O)ccc21 1559037165 LUSYMUDTDCDEQM-CQSZACIVSA-N 431.440 1.987 30 10 IDEE O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O 1559817611 GXVVCUYHMDASFS-QZTJIDSGSA-N 425.485 1.656 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@]3(C#N)CCSC3)CS(=O)(=O)[C@@H]2C1 1584460003 FYMMPRITVYYEGY-MMQJMDILSA-N 429.564 1.172 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3CCC4(C3)OCCO4)C2)C1 1585224434 JQJOPSYXZPYAEU-BQIYRTECSA-N 434.537 1.338 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1588074366 MEKOUIGGBOZIEU-WJFTUGDTSA-N 436.578 1.817 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C1CC1 1588194124 PIFKJAIZALYQJF-JOCHJYFZSA-N 426.542 1.973 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@H](O)C1 1588673007 KJHODBZLLKUWFU-IRXDYDNUSA-N 431.562 1.907 30 10 IDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1589096253 AGEOSNOMCZXKKO-GOSISDBHSA-N 440.573 1.822 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(N)=O)C1 1595496612 BFTMXCZIQKZXDS-ZDUSSCGKSA-N 433.310 1.321 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C(C)=O)CC2)C1 1595722162 JGDJVRCIPRCCBI-UXHICEINSA-N 432.569 1.465 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cncc(C#N)c3)CC2)cc1OC 1596855799 KWDMJXZLXABBQT-UHFFFAOYSA-N 444.513 1.688 30 10 IDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1614711186 BPTSEDMNUXKIKX-LJQANCHMSA-N 425.537 1.500 30 10 IDEE C#C[C@H]1CCCCN1C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 1618708244 PTRXBWPFUXPKSV-IBGZPJMESA-N 449.511 1.069 30 10 IDEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCc3ccc(C(=O)NO)cc3)nn2)CC1 1626239512 QVDITZVIJFGWSX-UHFFFAOYSA-N 444.492 1.899 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1626637968 AANRNHRSCYWDHH-KGLIPLIRSA-N 436.534 1.535 30 10 IDEE CCOc1c(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1626655266 BDNLOVGNPFPDPK-SJCJKPOMSA-N 443.319 1.867 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3c(c2)CCS3(=O)=O)s1 1630052461 DSXRAZHPMGPCCM-UHFFFAOYSA-N 440.568 1.401 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 1630537847 QLRZMJCWDUQFAU-WBVHZDCISA-N 449.577 1.498 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 1630813930 ORERNLUVUWJMBN-CYBMUJFWSA-N 433.361 1.719 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cn(C2CCC2)nn1 1631736252 WQPFAGPHXDPOPP-UHFFFAOYSA-N 430.534 1.918 30 10 IDEE CC#CC[C@@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1632078433 NMWXFRDESZEEHX-KRWDZBQOSA-N 426.330 1.596 30 10 IDEE C=CCn1cc(C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)nn1 1632698478 XGWUAJRGALYLOT-UHFFFAOYSA-N 426.502 1.549 30 10 IDEE C=CCOC[C@@H](NC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21)C(=O)OC 1634063542 KQKGZRVPBBUIQK-MRXNPFEDSA-N 446.504 1.921 30 10 IDEE COC(=O)CN(CC#N)C(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1634209170 PWQQXEYGDIEHRB-SFHVURJKSA-N 449.554 1.765 30 10 IDEE O=C(CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)NCC(F)(F)F 1641452657 FVWDCQVTUATVAC-BQBZGAKWSA-N 431.255 1.655 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1642923399 HFTFUJOSJRLFGO-CVEARBPZSA-N 436.534 1.646 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4nc(C)cc(O)n4)CC3)ccc2c1=O 1645590754 CUBHIFFFDLBOOR-UHFFFAOYSA-N 438.513 1.638 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](n2nncc2I)C1 1650912970 CECJIKGHDFCQQW-STQMWFEESA-N 431.278 1.517 30 10 IDEE N#Cc1cn(Cc2ccc(S(=O)(=O)NC3CC3)cc2)nc1I 1652060788 KTZCBDZZFVKFPV-UHFFFAOYSA-N 428.255 1.848 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1653760391 WEGSUPSWODHUTI-KRWDZBQOSA-N 439.472 1.512 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)C2)nc1 1684219465 ALSCTAAHMHIXSM-CYBMUJFWSA-N 438.366 1.141 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCS(=O)(=O)C4CC4)CC3)n[nH]2)cc1 1686793076 DWWOINVCLBVAFN-UHFFFAOYSA-N 428.518 1.357 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1689831097 FQLXFWARMRAGLL-VGSWGCGISA-N 436.520 1.801 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1689847969 MIYCSGMOMUVYNG-MRXNPFEDSA-N 434.591 1.485 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C2CC2)c1 1689852804 KUCMXJXIMUBTRR-UZLBHIALSA-N 443.573 1.995 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1689886890 JNHJTLGKJXHZOA-SQNIBIBYSA-N 430.553 1.400 30 10 IDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1689889139 ZNPOUNJHBPXXEH-HXUWFJFHSA-N 434.544 1.924 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCCN2CCN(CC)CC2)CC1 1690120031 CHAKSVKPCOBCIY-UHFFFAOYSA-N 436.608 1.513 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCSC2)CC1 1690137857 KLZAULWINHQEIS-SJORKVTESA-N 435.594 1.721 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1)C1CC1 1690545622 VOFKZNQAFCXHOH-DNVCBOLYSA-N 425.624 1.772 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690723708 YTHJAIRYGSXZDZ-SFHVURJKSA-N 441.561 1.426 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCOC(C)(C)[C@@H]1C 1690729834 SYGPMTQTPSTTKG-HNNXBMFYSA-N 425.555 1.005 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1690733837 OMRPFIWUGFGEBJ-OAHLLOKOSA-N 430.644 1.728 30 10 IDEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1691896589 PDPUOJYWVFMFMZ-SFHVURJKSA-N 432.550 1.790 30 10 IDEE CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695218402 FUWYBAGPIAYMJZ-CABCVRRESA-N 447.569 1.065 30 10 IDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](COC)C2)c1=O 1695790400 FGNFJZZSSKNBQT-HXUWFJFHSA-N 434.500 1.898 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C(C)(C)C)no1 1705551193 IQBBSKGXILRJDC-HNNXBMFYSA-N 436.538 1.014 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1705562056 YBLJGGKADYNCOJ-QAPCUYQASA-N 444.561 1.820 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705567323 WNOPMQQEXWFTRB-AWEZNQCLSA-N 444.483 1.394 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2nc(C)cs2)CC1 1705639047 DWJPIQAZTKJYQM-NVXWUHKLSA-N 448.618 1.504 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705641637 NMGXLTKPGJJXSC-IRLDBZIGSA-N 439.560 1.706 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCOC 1705674414 IORIRPYCWBHMJM-FXAWDEMLSA-N 439.582 1.420 30 10 IDEE C=CCCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OC(C)C)CCOC1 1705824434 PYEANXMKNKFPIX-QFIPXVFZSA-N 446.552 1.806 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1705894497 ARZMJPAOPDADMD-OAHLLOKOSA-N 441.536 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705927994 KOSJBBDIWDIUIU-ZBFHGGJFSA-N 427.571 1.004 30 10 IDEE C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1708264031 CXOVZGUVLFZHPA-IRXDYDNUSA-N 441.536 1.150 30 10 IDEE COCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712370536 ZPLGLPBMRPQQGR-SJORKVTESA-N 426.525 1.585 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722363749 VEGBGCVIQPUDSO-LJQANCHMSA-N 441.557 1.995 30 10 IDEE C#CCN(c1nnc(C)n1CCc1cc(C(F)(F)F)ccn1)[C@H]1CCS(=O)(=O)C1 1722366438 RPHJMVDVQZJKIQ-INIZCTEOSA-N 427.452 1.870 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1722372549 YWDDSJKJYVGXSJ-SFHVURJKSA-N 433.578 1.260 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1722382043 DKQGIPFBQACAIW-JPYJTQIMSA-N 435.532 1.065 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1722401322 SYYMPERIFPCJAP-IBGZPJMESA-N 443.511 1.732 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccnc1 1722473470 FFVOTIKYIQBERG-WIYYLYMNSA-N 444.561 1.241 30 10 IDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1722646662 KGMRBUOMCVMRGM-ZDUSSCGKSA-N 431.584 1.010 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[C@H]21 1722730172 KMMDLYZIOQRWPX-HUUCEWRRSA-N 435.575 1.859 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1730637428 FMJYXNVRBNLVPQ-NQIIRXRSSA-N 426.477 1.245 30 10 IDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1730778143 MOWXMDOCMIKEAL-QZTJIDSGSA-N 430.553 1.797 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740627019 OBWXIVCDFLOOBG-QRVBRYPASA-N 444.557 1.876 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1740639097 QPYGSBGPBZTUEJ-UHFFFAOYSA-N 440.511 1.838 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1740654986 YWONCZHIVSZTIC-UHFFFAOYSA-N 435.500 1.549 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(CC(C)C)CCO1 1740661220 VKRIKRCJNKNKQA-BDTNDASRSA-N 443.592 1.822 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCOCCS(C)(=O)=O 1740733660 IZHRTHDZLNOQBW-HXUWFJFHSA-N 434.566 1.193 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Cl)C1 1740979244 CFQXSDRUTXAZGO-HUUCEWRRSA-N 431.946 1.145 30 10 IDEE Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742818583 VFTFTOWWECFBDP-ZDBRSUKYSA-N 429.525 1.244 30 10 IDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1743955004 YVZATIZLANPGSF-BZSNNMDCSA-N 437.504 1.537 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 1748734397 CRTXYJJJLPDHNO-UHFFFAOYSA-N 435.575 1.178 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1748803190 VUQOGKGNWBIOOI-IAGOWNOFSA-N 430.578 1.661 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1748851499 GFOQMACLEGMEQW-LJQANCHMSA-N 426.542 1.579 30 10 IDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1748906541 GYFNASCJEBCTMZ-UHFFFAOYSA-N 430.534 1.742 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1748923022 QQFATAKGJMDEKA-QMHKHESXSA-N 436.516 1.674 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOC(C)(C)C)CC1 1748987016 OSBYGSURTHRGHL-UHFFFAOYSA-N 449.559 1.762 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749031968 PKUJBRJZUAGUCJ-UHFFFAOYSA-N 448.556 1.527 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1749121902 QJNIIISOBFIQBY-OALUTQOASA-N 444.561 1.783 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(OC)nc1 1750027195 IGRKJHOPSHUDNW-QFBILLFUSA-N 441.536 1.631 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1750066171 GUTWLRYSBIQEQY-CJNGLKHVSA-N 429.435 1.941 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCS1(=O)=O 1760110503 PRLJHDCXJZJNTI-INIZCTEOSA-N 426.546 1.930 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1760185236 SWKZLQJNXPTIJJ-GOSISDBHSA-N 437.525 1.915 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760187308 COTDZWFYDAVPSQ-GOSISDBHSA-N 439.545 1.365 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1760219369 CEZSSBCPEYODFA-GSVIPDFHSA-N 445.589 1.654 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1760223484 UBZVEDKFZVPGCV-SFHVURJKSA-N 438.463 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760547010 BLJPQDARRJTSSP-CVEARBPZSA-N 425.555 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CN(C)C(C)C)CC1 1760553923 LZCQDCVBBGSSCP-UHFFFAOYSA-N 447.609 1.893 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760565660 CATLNZJBQORMNS-KDOFPFPSSA-N 427.596 1.062 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760566278 QBWYQVCVJQBEEX-QWHCGFSZSA-N 440.513 1.867 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1760690668 FCBGWOWNNIRYMO-ZDUSSCGKSA-N 434.522 1.426 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCOC1 1767388962 HQIHJZHCMVOXFG-QHCPKHFHSA-N 441.532 1.980 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1767612668 GJMHXWKOCIRKMA-FQEVSTJZSA-N 431.447 1.160 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1769216275 IPYINZRKCCVVMV-IRXDYDNUSA-N 430.484 1.676 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)c1 1769363552 QHNZENVYFMXLDL-SFHVURJKSA-N 444.561 1.868 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)C1 1769409655 BVEHBDIMEBAEQD-BTYIYWSLSA-N 429.477 1.831 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCNC(=O)C2CCC2)cc1 1770733050 QVDVQXPELPEOQN-UHFFFAOYSA-N 435.532 1.825 30 10 IDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCN2CCCC2)CCO1 1770751359 HENFQSRGHXCCMD-MRXNPFEDSA-N 429.550 1.484 30 10 IDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H](Cc1ccccc1)NS(C)(=O)=O 1851177031 GAELTEGGMWTXKA-CJNGLKHVSA-N 435.937 1.781 30 10 IDEE N#CC1CCN(CCNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)CC1 1853038375 SVWIGWNGXXQKPI-UHFFFAOYSA-N 427.530 1.629 30 10 IDEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cccc4ccccc34)C2)CC1=O 1855964376 RGZYZTNHDISQSM-KRWDZBQOSA-N 426.498 1.187 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)CCOc3ccccc3)CC2=O)cc1 1857438829 YGRXXALEGNJTBE-UHFFFAOYSA-N 427.482 1.180 30 10 IDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)OCCO2 1869930332 XVDBXYLSVWZMAJ-HNNXBMFYSA-N 439.559 1.212 30 10 IDEE COc1ccccc1CNC(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O 1870100821 JCJRRPVPPIQPBB-UHFFFAOYSA-N 429.440 1.233 30 10 IDEE C=CCn1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600700 QZHOOKUUYWELKU-DHZHZOJOSA-N 447.539 1.696 30 10 IDEE Cc1ccc(NC(=O)CSC2=NNC(=C3C=c4ccccc4=CC3=O)O2)cc1[N+](=O)[O-] 2069371640 LOPYLYJENXBNSC-UHFFFAOYSA-N 436.449 1.521 30 10 IDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2124524542 TUZGMOMCVMKPGH-MAUKXSAKSA-N 448.369 1.919 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@H]4CS(=O)(=O)C[C@@H]4C3)c(Br)c2)OC1(C)C 2172779417 CEKYHJTZCFCUKY-RYUDHWBXSA-N 443.172 1.624 30 10 IDEE C=C(Br)CS(=O)(=O)N1CC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1 2221251892 RUIVMHMUCXYVLR-UHFFFAOYSA-N 438.388 1.709 30 10 IDEE C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247950703 DJNNKGPJZFKFKB-OAHLLOKOSA-N 435.355 1.291 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CCCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2255632818 RWMYWAUKBXBKFE-UHFFFAOYSA-N 432.330 1.934 30 10 IDEE Cc1ccnc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255633421 ASRQPEPEFXHVMH-AWEZNQCLSA-N 435.330 1.305 30 10 IDEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2255947425 ASRIOJKJIQZPFL-UHFFFAOYSA-N 444.362 1.923 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256613673 JYHSBZJVJAHFOF-CQSZACIVSA-N 433.314 1.955 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256678530 OKTLGJSFHXFGLF-MRXNPFEDSA-N 434.342 1.735 30 10 IDEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2267530521 BOFOLQGULRCHAT-NWDGAFQWSA-N 444.263 1.628 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC1(C)C 2267604690 IBJRCJCHLAYNGL-ZDUSSCGKSA-N 449.361 1.632 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 2267605896 YLSJMVQAKISMLR-HSZRJFAPSA-N 439.369 1.899 30 10 IDEE C[C@@H](F)[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284395011 GKIJTWJCBOCKMA-XCBNKYQSSA-N 427.712 1.790 30 10 IDEE COc1cccc(C#N)c1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2286041437 VAXMKFNXIHWLFZ-OAHLLOKOSA-N 433.442 1.688 30 10 IDEE Cc1sc(CNS(=O)(=O)C2CC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1C 2295337324 IIXBVEFEJXBWBR-UHFFFAOYSA-N 443.396 1.989 30 10 IDEE COc1cccc(C(=O)C=CC(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 2320934204 KGWFSJNKHGPIMF-LJQANCHMSA-N 447.447 1.834 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2334263972 YDUWUPYIMBUPGH-FVQBIDKESA-N 446.357 1.847 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)OC(C)(C)C 2337199212 SJOHHVPCIUXVKG-ZNMIVQPWSA-N 446.357 1.705 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 105287047 CVVVWMPKLHFFOI-HXUWFJFHSA-N 439.541 1.845 30 10 IDEE C[C@H](C(=O)Nc1cc(-c2ccc(I)cc2)[nH]n1)n1cnc(C#N)n1 409676430 RVYGOBKCKYJGNM-SECBINFHSA-N 433.213 2.344 30 10 IDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 467984765 OWZFDKZTVDGPMW-UHFFFAOYSA-N 432.477 1.922 30 10 IDEE COc1cccc(N2CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 481527175 IOTCIROLJKDTID-SJLPKXTDSA-N 442.541 1.876 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 481744956 OOYGSYYTHBTRJW-ZBFHGGJFSA-N 428.518 1.558 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H](CO)c2ccc(Cl)cc2)CC1 505121632 WRIISMRPLWXQMO-SFHVURJKSA-N 433.917 1.821 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)OC)CC1 506982839 OIXBKGJFFFWSRR-UHFFFAOYSA-N 428.411 1.944 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)c1 514475089 LCNLADZSKUESNA-UHFFFAOYSA-N 431.517 1.998 30 10 IDEE C[C@H](CCO)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 540686890 DYXXBTWQCJHIHW-QGZVFWFLSA-N 434.562 1.763 30 10 IDEE Cc1nccc(N2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)n1 546810351 BJWZCCZTJQNZKA-SFHVURJKSA-N 425.562 1.378 30 10 IDEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 546890209 IZPHUVJLLWHGAL-HXUWFJFHSA-N 433.560 1.996 30 10 IDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCOC)[C@H](C)C1 549275277 ZUXCDQAURCTROG-QGZVFWFLSA-N 447.609 1.971 30 10 IDEE Cc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2)c1 585484662 DAQNJMXASLHKDC-UHFFFAOYSA-N 435.513 2.306 30 10 IDEE C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)c1cccc(C#N)c1 587690674 XWXPXOKAUINTDI-HNNXBMFYSA-N 438.509 1.339 30 10 IDEE CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)CC1 609431215 FPHKRRVNRSFJBD-UHFFFAOYSA-N 435.532 1.342 30 10 IDEE N#Cc1ccc(C2(C(=O)NC[C@@H](CO)NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cc1 614864642 NSGOBVGRGNJLBL-NRFANRHFSA-N 428.492 1.787 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730141120 NAFQNEGFUKGEJP-IRXDYDNUSA-N 447.605 1.827 30 10 IDEE Cc1ccc(I)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732155421 ANUHHESKWQOXLX-JQIJEIRASA-N 425.226 1.856 30 10 IDEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 746636021 ANJOZGHGRMIHQM-KRWDZBQOSA-N 426.542 1.848 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cnn3cc(Br)cnc23)C1 756895416 VNROENFGMINIDS-MFKMUULPSA-N 435.282 1.981 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Cc1cccc(OCC#N)c1 760390519 QISWYHSAHSMLHH-UHFFFAOYSA-N 430.505 1.669 30 10 IDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCN(c2cccc(C#N)n2)CC1 760778636 VAUWTASVUQZSIG-UHFFFAOYSA-N 443.454 1.861 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCN(c2ncccc2C#N)CC1 768219590 KTQKZXNUQHQLKL-INIZCTEOSA-N 434.953 1.793 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1 771203748 JJSWBPBZAIWNQH-QGZVFWFLSA-N 437.315 1.824 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(OCC#N)cc2)C1=O 771255228 GBLWZYFQORNCSX-QHCPKHFHSA-N 436.468 1.989 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](N3CCCC3)[C@H](SC)C2)ccc1F 777312400 BGLCLUMFPOSQCY-DLBZAZTESA-N 427.567 1.942 30 10 IDEE Cc1cc(C(=O)OCC(=O)NC[C@H]2CN(CC(C)C)CCO2)nn1-c1cccc(C#N)c1 780198207 IZXRLLFQRBZDNT-FQEVSTJZSA-N 439.516 1.682 30 10 IDEE CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1CCN(c2cnccn2)CC1 789181275 FDUOBLJMKBGVSL-WBVHZDCISA-N 429.525 1.846 30 10 IDEE Cn1c(=O)n(C)c2cc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c(O)cc21 812384390 MJQXAEMAYSODFQ-UHFFFAOYSA-N 443.485 1.040 30 10 IDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 916775071 JSZHZXXXVBDCAN-SZNDQCEHSA-N 446.529 1.641 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cn2)cc1 1125136412 GAUKHKPLNSLYKE-OQKWZONESA-N 426.462 1.122 30 10 IDEE COc1cc(CNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)ccc1C#N 1128682319 CNVISLMYCKFCRS-UHFFFAOYSA-N 436.511 1.315 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1128902950 YXMZUCBPFCKRHX-IPELMVKDSA-N 435.546 1.530 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1129928520 QWBSGQJWCWQCGD-ZNMIVQPWSA-N 426.491 1.317 30 10 IDEE COCC#CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1135264245 CBRZHEHKSYCBND-UHFFFAOYSA-N 435.727 1.585 30 10 IDEE CCOC(=O)CON=C(C(=O)NCCOc1cccc(C(F)(F)F)c1)c1cc[nH]n1 1141834384 CQQZYVNPDPWLII-UHFFFAOYSA-N 428.367 1.908 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)C[C@H](CO)C3)nnc12 1161487546 QYSGLAYUCOKHSD-GJZGRUSLSA-N 427.530 1.799 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)cc1 1168716077 DJXQLMKYDMKWQZ-UNMCSNQZSA-N 436.487 1.550 30 10 IDEE CN1CCN(c2ccc(CCNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 1251665765 VSAJUEFBXQTSSK-UHFFFAOYSA-N 433.560 1.779 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1253401401 HYFHCQHFECWVSO-KDOFPFPSSA-N 426.502 1.238 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1286450144 DDLGGMIPQNMCMA-OAHLLOKOSA-N 433.534 1.557 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCOC)CC1 1286488438 NQFUPJFKWZTJQA-JOCHJYFZSA-N 433.553 1.321 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286493961 JRUBBZIGJHVESG-CTNGQTDRSA-N 436.560 1.781 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCCCC2)CC1 1286646624 TZDZTYBPYFBCEY-QGZVFWFLSA-N 439.582 1.463 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCN(C)C2)C1 1286813000 VSSPNPBCPIBHHY-REWPJTCUSA-N 427.549 1.748 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)CCC(F)F)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1290607920 YQZAKTYRPVCMMB-VHEBQXMUSA-N 448.478 1.758 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1293227490 GZDLQRCYWCOJLF-QGZVFWFLSA-N 442.545 1.356 30 10 IDEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1297736556 JOWHRIWUJXRJEX-UHFFFAOYSA-N 440.474 1.928 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1298769220 JBSUEOCGOKOKGU-UHFFFAOYSA-N 438.532 1.962 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1300336634 LYEYPXMBEBZFRQ-KRWDZBQOSA-N 440.552 1.892 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1300478717 AMUBMXUASJKTFI-IBGZPJMESA-N 441.557 1.498 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1300482739 HFKXDKIBEHGEBK-KRWDZBQOSA-N 448.545 1.626 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300495858 KDBOLILQQVDUNZ-WOJBJXKFSA-N 449.621 1.878 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C 1300560507 BCBIQBBWCIOUSW-GOSISDBHSA-N 442.589 1.608 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300621501 MKROMHYGDFGWGX-MSOLQXFVSA-N 426.521 1.664 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)Br 1300650549 UDMWHUOZUQJHGH-UHFFFAOYSA-N 443.252 1.999 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCOC1 1300666199 VENCRDVITIHKJT-LJQANCHMSA-N 439.564 1.965 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(C)(C)O)CC1 1300689533 XVLSVEXRALRCSM-UHFFFAOYSA-N 429.521 1.497 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1300699505 DPPBCNOBMBVYSO-ROUUACIJSA-N 432.569 1.841 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 1300778166 OFDFVLOROVWSAA-MRXNPFEDSA-N 429.550 1.621 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCS(C)(=O)=O 1300895653 UJKLKCYLISNIPL-OWSLCNJRSA-N 442.582 1.464 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1 1300997648 XNAQJUSCCRFEQC-UHFFFAOYSA-N 442.568 1.726 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1301491990 UGWQONRDHYHQAI-UHFFFAOYSA-N 428.518 1.132 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 1301554711 LMLLBPFIVUZOGI-IRXDYDNUSA-N 446.552 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1301568157 CVLFDYUEQYBISM-UHFFFAOYSA-N 431.562 1.965 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301588599 ICGSTRXXZMLIRI-RBUKOAKNSA-N 437.610 1.695 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ncn(C)c2Br)cc1 1304151701 QGTCBEDUYAEGML-UHFFFAOYSA-N 427.324 1.619 30 10 IDEE CCn1nc(C(F)(F)F)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1C(F)F 1305591245 WAZUNZPEWUZDIM-UHFFFAOYSA-N 432.309 1.690 30 10 IDEE CCc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306131616 RQEDUIJENZEWJC-FMQUCBEESA-N 429.525 1.062 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1316529831 HOKDFTBOBMDGTF-DLBZAZTESA-N 442.545 1.343 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N(CCOC)Cc2ccc(C#N)cc2)[C@H]1c1nccn1C 1352566982 FKTFCSPONQHRMW-PMACEKPBSA-N 425.489 1.255 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1358870540 OXGYCSVGPYKWEW-FHLIZLRMSA-N 431.924 1.859 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 1358929919 KXRGJRLTHIHTKZ-OWCLPIDISA-N 427.596 1.355 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCS(=O)(=O)C1 1358941151 ZRPAPHFUDYTIKA-GFCCVEGCSA-N 426.340 1.930 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1358978349 KJLXKVATVMENOB-HRAATJIYSA-N 444.582 1.803 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCOCC1 1358989388 ALLJEMJXTAJDKK-UHFFFAOYSA-N 435.528 1.902 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1359024120 FQESVBHVZLNWBK-FQEVSTJZSA-N 425.533 1.813 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCC(F)(F)CC2)CC1 1359029432 XORGGGVWEPYNBO-HNNXBMFYSA-N 444.552 1.469 30 10 IDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1 1359115506 BPOMHKURXXGCMY-UHFFFAOYSA-N 446.577 1.954 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359302408 GWYJZVFANLNTLM-IBGZPJMESA-N 440.548 1.588 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2CCS(=O)(=O)CC2)C1 1359322764 BRNLRULXMTVAQV-IBGZPJMESA-N 431.562 1.870 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCn2ccnc21 1360680724 HMYBEWOHINXNIV-PMUMKWKESA-N 436.517 1.104 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)c3c(Br)nc4n3CCOC4)CC2)nc1 1443086017 FXXUMPDSTWOQSZ-UHFFFAOYSA-N 431.294 1.841 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)c1 1456675109 PVOLWCRCZWYRFP-IBGZPJMESA-N 430.482 1.900 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H]2CCN(O)C2=O)cc1 1468376458 WUQISKGAYSCIIF-MOPGFXCFSA-N 429.498 1.217 30 10 IDEE Cc1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1S(=O)(=O)NCC#N 1470097365 YBZBEVFYTDWXCL-UHFFFAOYSA-N 429.527 1.692 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCCn3cc(Br)ccc3=O)CC2)nc1 1470349530 HCSBBYIYEFHXGY-UHFFFAOYSA-N 431.294 1.409 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CCS2 1471532542 HABSSOYDKDRMAK-XAHBDIOTSA-N 444.561 1.786 30 10 IDEE C=C(C)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)OCC 1471581144 PBTUPFCPKWRGCA-OAHLLOKOSA-N 430.548 1.326 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2ccc(Br)cn2)cc1 1471844885 UKLAIWGEYPLXHW-UHFFFAOYSA-N 436.287 1.368 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1479148194 DXJAMSCQUWAPNE-BQFCYCMXSA-N 440.529 1.573 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1C 1503890489 FDLQCUVNIHQTIB-BTYIYWSLSA-N 442.545 1.962 30 10 IDEE COCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504551730 IAPIRDAZKCVOQI-IRXDYDNUSA-N 440.552 1.831 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507635163 PZBSILPKIITTPM-NVXWUHKLSA-N 435.575 1.297 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507650138 CODURWRBUIIELC-RBUKOAKNSA-N 434.548 1.746 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507650602 OJIQXWVSGDAEIH-SFHVURJKSA-N 438.532 1.847 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN(C)C)cc1 1507659329 QLNGJEKNSFUKIZ-UHFFFAOYSA-N 448.571 1.966 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1507688439 AINRAUNYNMTAAC-IBGZPJMESA-N 447.561 1.458 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCCCC2)CC1 1507718958 INFVWMXWLMALDY-QHCPKHFHSA-N 430.597 1.561 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1507723582 NNYDPQJGRFZBJP-RBUKOAKNSA-N 439.564 1.661 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2nnc(C)s2)CC1 1507731655 AIWIWDCGITVWPU-UHFFFAOYSA-N 427.509 1.960 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CCc2cn[nH]c2)CC1 1507731992 HGSGWOVRPRZFKB-UHFFFAOYSA-N 435.532 1.977 30 10 IDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)CC1 1507782168 VMUPMDHIGOOUNA-UHFFFAOYSA-N 428.312 1.483 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507839721 IJQCGIZEQZZNEW-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507863363 DFWPWTYNYLPATP-LBPRGKRZSA-N 427.914 1.772 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1508091908 OJPBYQATZWNOKJ-DLBZAZTESA-N 438.444 1.145 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C2CCN(CCn3cccn3)CC2)nnc1C(C)(C)C 1508095252 UNCHMAPZMLWICQ-UHFFFAOYSA-N 428.585 1.675 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099495 ZIHWLBZPDIGHOL-KKSFZXQISA-N 435.525 1.010 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nccs2)C1 1508137931 TZGQBQRDSFTSHE-HNNXBMFYSA-N 434.547 1.908 30 10 IDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508162648 RKLSHZRWCHHCMJ-MRXNPFEDSA-N 443.639 1.952 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1508798855 ZSVSDFJVAHVYTB-UHFFFAOYSA-N 439.564 1.747 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1538963198 QZAVXBVGNXSPGW-HNNXBMFYSA-N 429.525 1.129 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1539156038 ZHRFVBUESRQFKR-QGZVFWFLSA-N 439.335 1.327 30 10 IDEE C#CCN(c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539216643 UTZKAVINXIKNME-INIZCTEOSA-N 441.557 1.834 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1539222844 XJIVBJPUMOTTGB-QZTJIDSGSA-N 445.520 1.238 30 10 IDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1539258210 UHIBTDRAUOMEFV-GOSISDBHSA-N 430.512 1.994 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)COC 1539312662 XBYRGZDFXPQHRK-KRWDZBQOSA-N 428.562 1.984 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539641252 LQUBXWNHIVLKJM-DENIHFKCSA-N 446.596 1.540 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCCCC2 1539650711 UPJXSLOPCJCZHQ-OAHLLOKOSA-N 436.586 1.657 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nncn2-c2ccccc2)CC1 1539828019 CWZBOFSZOPKLKE-INIZCTEOSA-N 442.549 1.674 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 1540007125 YGNAMTLHHSUKNB-BBWFWOEESA-N 427.571 1.581 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1540109499 YSQAEWCQXTUIGB-QZTJIDSGSA-N 429.569 1.327 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1540888070 JIIIZJKBDVXSJL-JOCHJYFZSA-N 449.559 1.762 30 10 IDEE Cc1cn2nc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)cc2c(=O)[nH]1 1541080432 HPOWKQDWVQUWEC-HAVVHWLPSA-N 428.474 1.396 30 10 IDEE CCOC(=O)C[C@@H](O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1542096590 QZEMFYOTFYVCGD-ZKCWRFQVSA-N 425.507 1.532 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCCCCO)CC2)c1C#N 1543001883 GXBLOERBAGLCDZ-GOSISDBHSA-N 442.568 1.575 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1547628343 CPHYWBBRGLVZDJ-AWEZNQCLSA-N 428.522 1.747 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1557106440 VVDDFQQYFXMMMP-KNBMTAEXSA-N 438.546 1.858 30 10 IDEE C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)nn1 1586901216 TXXNOEYNNLDKDM-YPMHNXCESA-N 431.415 1.458 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(c3ncccn3)CC2)C1 1586965041 VOCYSNZGFAPJMN-UHFFFAOYSA-N 427.306 1.896 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1588053918 IVPWMJHVMXUCDN-XHSDSOJGSA-N 435.575 1.669 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1cnn(C)c1 1588110125 VZYHOHKHVBMPCU-UHFFFAOYSA-N 426.488 1.360 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588619705 BZJYEACNMUFWLU-MRXNPFEDSA-N 426.443 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)CC1 1588908496 RMKYFWDIGRUCSE-HXUWFJFHSA-N 436.516 1.444 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCOC1 1595545588 YXBHFBBNABPMNI-IRXDYDNUSA-N 448.568 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCS[C@@H](C)C1 1595788722 HWXRSGTVEARCHS-ZDUSSCGKSA-N 439.563 1.548 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1595844880 IZWGFJMLJODKSI-KBPBESRZSA-N 440.599 1.278 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1597331762 CPQIDJOPQMFZMU-UHFFFAOYSA-N 432.296 1.228 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1597566868 UVYFEZDFOVIVFA-INIZCTEOSA-N 447.540 1.548 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1598063347 UPFMMAYSKZHSIR-INIZCTEOSA-N 446.577 1.848 30 10 IDEE C=CCn1c(=O)n(CC=C)c(=O)n(CCOc2cc(F)cc(Br)c2)c1=O 1613380399 KKZTWGDSKICDDN-UHFFFAOYSA-N 426.242 1.524 30 10 IDEE CS(=O)(=O)c1ccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)cc1 1620635617 SXCOYEQGFPAJJE-KBXCAEBGSA-N 437.568 1.584 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1622928768 KJFMZVMHNDXVLT-UHFFFAOYSA-N 445.545 1.850 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)CC1 1632624607 VFXKVVMKYCEVSQ-OAQYLSRUSA-N 442.560 1.611 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1635310698 NGJFGAKONKLMRB-RDJZCZTQSA-N 428.576 1.852 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)C1 1638075994 XIMRDJAGZTXNOD-CTNGQTDRSA-N 431.558 1.646 30 10 IDEE COc1cc(N)c(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1S(C)(=O)=O 1640219579 VRPQZGOJNCPJCX-INIZCTEOSA-N 428.514 1.903 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ncc(C(=O)OC)s3)C2)cc1 1641320370 NCYIMUCWWRTGPZ-HNNXBMFYSA-N 447.538 1.861 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 1644125735 PGVRABNZSYRVCZ-DNVJHFABSA-N 438.503 1.659 30 10 IDEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C1CCOCC1 1645987339 RKWZQARGVHXCGZ-MRXNPFEDSA-N 426.560 1.299 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(c4cnnc(O)c4Cl)C3)cc2C1=O 1647765740 QLGWISMEAUEMBV-GFCCVEGCSA-N 427.848 1.626 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)OC)c1 1648091982 CBKXMMABTJXSAV-LJQANCHMSA-N 428.466 1.044 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1651805513 LTMOONCTMHAFNB-YKSBVNFPSA-N 444.535 1.714 30 10 IDEE CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 1664112633 GXYBFMGWRURINT-UHFFFAOYSA-N 445.466 1.009 30 10 IDEE COc1ccc(CNC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1C#N 1687437713 IQXJEZHCIZCOEJ-UHFFFAOYSA-N 441.492 1.950 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1690041703 DYFSFKIMUYVOAO-UHFFFAOYSA-N 434.525 1.782 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1690046349 BAYPRGMQMYTXRZ-IBGZPJMESA-N 439.541 1.051 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)C2CCCCC2)CC1 1690109141 IDXROGRYEPSAQM-QHCPKHFHSA-N 428.581 1.601 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690167520 LAKFTZCMSLPAIR-UHFFFAOYSA-N 448.556 1.527 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)F 1690259418 IVNBVATXHQFGQJ-UHFFFAOYSA-N 431.451 1.705 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690459251 PMFLULIJPRBZBK-UHFFFAOYSA-N 428.541 1.609 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690507608 QKUDAODAMASMCY-UWJYYQICSA-N 429.525 1.307 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1692882923 FQTZFBHAUJDHDZ-MRXNPFEDSA-N 425.493 1.691 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)cs1 1693353453 SOPJZBKYMJMRDO-QGZVFWFLSA-N 449.606 1.798 30 10 IDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1693389663 AOSWBUPQIYWVAU-MRXNPFEDSA-N 434.504 1.601 30 10 IDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1693854532 GCYLKDSJVAECDP-QUCCMNQESA-N 440.548 1.801 30 10 IDEE CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C#N)o1 1694747938 VXWRPBVLCZMNOJ-HXUWFJFHSA-N 427.553 1.585 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1698110509 KKCKHFDOWZBSNC-RBUKOAKNSA-N 441.511 1.232 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C1 1698203042 WALAYWFHJXQZSP-IBGZPJMESA-N 426.521 1.927 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)c(F)c1 1705500029 DXAQCXZVZZMEKC-MRXNPFEDSA-N 426.496 1.736 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCN1CCCS1(=O)=O 1705501786 OFHHSRISUQXCKH-KRWDZBQOSA-N 447.561 1.749 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)nn(C)c1C 1705581491 CVUQLXNTXYIODR-UHFFFAOYSA-N 443.559 1.924 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1705604508 NQDJHYTXKNSUAX-YWZLYKJASA-N 436.509 1.566 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC(=O)N2CCOCC2)CC1 1705635528 ATZYFEPOFQXQFG-UHFFFAOYSA-N 436.560 1.512 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nncn2CC)CC1 1705636794 YEPXQBJRSGQIBG-UHFFFAOYSA-N 436.520 1.377 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1705884544 RBCWPZANNGMTPW-MRXNPFEDSA-N 439.582 1.268 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(=O)OC)C1 1705896379 KLSFIYHMUWNNRD-HNNXBMFYSA-N 428.449 1.545 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCCC1 1705936815 ZBLIVYHOFMOYQD-QGZVFWFLSA-N 444.623 1.798 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1706075616 QEWXEDCYUGNXNS-GUDVDZBRSA-N 431.585 1.711 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C)CC1 1706875054 GHLVIMRSYWGLKC-GFCCVEGCSA-N 431.522 1.223 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCOCC2)CCOC1 1710456458 BIZBVUMZGLQYKI-LEWJYISDSA-N 436.532 1.485 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC4(CC3)CNC(=O)C4)n2CCCCCO)cc1 1712880917 SCGTVVVMXFLHEX-UHFFFAOYSA-N 438.532 1.998 30 10 IDEE O=C1CC[C@H](c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)N1 1712914296 HXLZHLLEZWBQBS-NDALVIQVSA-N 449.462 1.237 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722318233 XQCJYLMFQLKYQS-GOSISDBHSA-N 433.520 1.599 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 1722333700 YCCBKGYGWSOAKZ-CVEARBPZSA-N 427.596 1.356 30 10 IDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722334755 JVDGYJJJPANQRP-IBGZPJMESA-N 430.578 1.785 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC1CCN(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722364888 AUUSKRCITJHPHI-GOSISDBHSA-N 449.577 1.651 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1722368015 OLFKMHJXHDVCQG-SFHVURJKSA-N 427.530 1.622 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@H](C)CC 1722376752 BQDNIXPRCQBFBM-QGZVFWFLSA-N 431.504 1.298 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(C(N)=O)CCCC2)CC1 1722449576 VNCJNLHPLUXTHM-UHFFFAOYSA-N 449.559 1.275 30 10 IDEE C=C(Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1722539683 WSIVFVXDNCFAMY-UHFFFAOYSA-N 426.565 2.000 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCOC1 1722693031 BRGYYWUDDUHJCD-HNNXBMFYSA-N 433.534 1.124 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@@H]21 1722730171 KMMDLYZIOQRWPX-GJZGRUSLSA-N 435.575 1.859 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1727007694 CSYLEILIQJJMMC-MRXNPFEDSA-N 445.531 1.927 30 10 IDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1729298504 IXZQTZNEKPGKAO-UXHICEINSA-N 443.596 1.855 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)c1 1729734796 BTAJOMRJAOSIAR-OAHLLOKOSA-N 445.549 1.095 30 10 IDEE CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1731129349 YZUQOBJGFNOSOI-UHFFFAOYSA-N 440.577 1.860 30 10 IDEE C#CCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1740589151 PVAWQGVNZLFDOR-BRWVUGGUSA-N 449.577 1.695 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1740621771 PABOWGODGFYTQE-INIZCTEOSA-N 444.517 1.093 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1740623554 WNTJQFFZYWILKZ-SFHVURJKSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1740637710 BPRVBXCMPVHBNV-SFHVURJKSA-N 445.527 1.635 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O 1740642586 YDBATMNNTVNYKP-UHFFFAOYSA-N 434.525 1.398 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCOC[C@H]2OC)CC1 1740694022 VOVGFXUZQLXTLV-WIYYLYMNSA-N 425.533 1.760 30 10 IDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCN(C)CCOC)CC1 1740698660 JLNQKYLPYIEFGN-UHFFFAOYSA-N 435.576 1.615 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](C)C2)CC1 1740701084 TZVGSLKSOUPKOW-ZWKOTPCHSA-N 426.565 1.916 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ncnn2C(C)(C)C)CC1 1740704156 IUQACBHDLBERQS-UHFFFAOYSA-N 435.536 1.634 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NC(C)C)CC1 1740704557 SKWKIECISKDFFP-UHFFFAOYSA-N 426.496 1.575 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1740706830 FILJVFXBYKYHJK-NQIIRXRSSA-N 436.560 1.781 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC=C 1740725459 MEVRYEPZHVFVNB-RTWAWAEBSA-N 436.578 1.912 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740944118 UOAODRTXCAJPCE-NVXWUHKLSA-N 430.534 1.096 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740966599 UQTZIZOVNOSSHU-BNDYYXHWSA-N 447.580 1.947 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1741799490 KEXXERDKTZHSCG-INIZCTEOSA-N 429.525 1.857 30 10 IDEE CCn1cnnc1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1746362605 BUKWSKMWGCQKRQ-OAHLLOKOSA-N 430.419 1.935 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(CCOC)c1 1748667104 NIFPTHAKKYTZKI-HNNXBMFYSA-N 432.488 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1748863847 JBJIGEDBDRZWSI-DLBZAZTESA-N 429.546 1.453 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nccc(C(F)(F)F)n2)CC1 1748991104 QILKBLVESBBZKJ-CQSZACIVSA-N 448.453 1.036 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCN/C(O)=C1/N=CC=CC1=O 1749055271 GHKNPDPGWCZELF-KMAZBDISSA-N 442.520 1.521 30 10 IDEE C=CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749406960 QUSLLBDLKFWTAT-GOSISDBHSA-N 438.532 1.669 30 10 IDEE C=CCN(c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1749517997 WFYDLVNQBIZOGA-INIZCTEOSA-N 441.623 1.706 30 10 IDEE COCC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749533555 IMDXLRPTTRPXCG-KDDVOAFDSA-N 430.509 1.519 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749652604 QDXPOISXWPDWOU-WWMYMODYSA-N 437.541 1.079 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](F)COC)C1 1749701466 UPNZFDSWLFKSMF-SJLPKXTDSA-N 428.472 1.687 30 10 IDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749716452 VGWTZUYBFGLLTB-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749729735 QEMBAIFGXKUBIL-KRWDZBQOSA-N 444.561 1.532 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1749756551 ZHNRIAXNAFSJEZ-HUUCEWRRSA-N 437.595 1.569 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1750059824 CHEZOSNFAFCWCL-GVDBMIGSSA-N 439.630 1.995 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1750077320 UGGXIZHOSYXLMR-SQNIBIBYSA-N 438.598 1.013 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)n1 1751623242 IJFGITOCHYZXNF-OALUTQOASA-N 425.537 1.614 30 10 IDEE Cc1coc(C)c1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1751737779 PKPDDRKWYPHUEM-YOEHRIQHSA-N 436.538 1.608 30 10 IDEE C#CCN(c1nnc(CC)n1C[C@H](CC(C)C)NC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1760186316 MBAFOIJUMOHHSO-DLBZAZTESA-N 439.582 1.628 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760189777 WRJBWACWLKQXEX-ZWKOTPCHSA-N 430.530 1.466 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1760204985 KJYJVZHYOUWALF-IBGZPJMESA-N 445.527 1.084 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1760244626 BJPGJODKTAGULG-UHFFFAOYSA-N 431.924 1.967 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(CC)CCC)CC1 1760255748 HSODLFZOKCKMKB-UHFFFAOYSA-N 448.579 1.408 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)cc2)CC1 1760268383 IUXUWPOVTYNHSG-IBGZPJMESA-N 438.507 1.577 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2ccncc2)CC1 1760271638 FDSPDEZDJZXKTR-UHFFFAOYSA-N 429.528 1.867 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1760281196 LRGZRRZTVWNRIE-MRXNPFEDSA-N 439.563 1.207 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760518051 HAVZKMHUFHKRSB-NVXWUHKLSA-N 445.955 1.453 30 10 IDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760566926 JYRAKSRUWWLUMP-INIZCTEOSA-N 436.607 1.653 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCCCO 1761235656 GXGTUGZNZZIEOE-UHFFFAOYSA-N 440.552 1.562 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1Cc1ccc(C#N)o1 1764094610 PEGZVFKXRBEENJ-QZTJIDSGSA-N 439.520 1.957 30 10 IDEE CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1766623184 CODDQSQRDZSXNF-UHFFFAOYSA-N 429.506 1.771 30 10 IDEE CN(c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1766958988 YCIRCDLGSGIVIA-UFOSLELVSA-N 443.895 1.745 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1-n1cccn1 1770049660 FMRASISTDBZHCU-HKUYNNGSSA-N 437.504 1.965 30 10 IDEE COc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1770145597 BGQZXWZWLNBZGI-KRWDZBQOSA-N 440.504 1.503 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(OC)ccc1OC 1771221635 AJOULTLMEGLYPL-QAPCUYQASA-N 431.493 1.796 30 10 IDEE CC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1772849837 PYMYJZMVHKOGKJ-CEQIKUNHSA-N 426.525 1.667 30 10 IDEE COc1ccccc1-n1nncc1CN1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 1848466126 RICNETFBBCPCBF-UHFFFAOYSA-N 431.500 1.904 30 10 IDEE C#CCS(=O)(=O)CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 1851658344 STZSLGVYTVJWCL-HXUWFJFHSA-N 426.494 1.919 30 10 IDEE C[C@@H]1Oc2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)ccc2N(C)C1=O 1851938688 VEMAPOWJLKAPLZ-INIZCTEOSA-N 435.484 1.676 30 10 IDEE Cc1c(Br)c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nn1C 1852646549 IBYARABXCQYHLZ-UHFFFAOYSA-N 433.310 1.737 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc(C#N)c(F)c2)CC1 1853057160 KIFAYDPQWMWLOP-GOSISDBHSA-N 445.520 1.833 30 10 IDEE C=CCN1C[C@@H](C(=O)N[C@H](Cc2ncc(C(F)(F)F)cc2Cl)C(=O)OC)CC1=O 1853100748 DGNSIRNYEZANAS-IINYFYTJSA-N 433.814 1.989 30 10 IDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862184067 ZYBFIYQXIQAGLV-SJLPKXTDSA-N 427.501 1.922 30 10 IDEE COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862561437 QEDOGADFCSQZOX-LJQANCHMSA-N 437.452 1.770 30 10 IDEE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)Nc3ccccc3C#N)cc2C1=O 1866618295 HGPOSXRGYJRJOG-FQEVSTJZSA-N 448.479 1.930 30 10 IDEE Cc1cc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 2247928916 HUORBIRCPSGGAY-ZDUSSCGKSA-N 440.371 1.971 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N2[C@H]3CC[C@H]2CN(C(=O)C(F)(F)F)C3)OC1(C)C 2255628330 GQJYZODLKSJSGR-QWRGUYRKSA-N 428.220 1.087 30 10 IDEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC(NC(=O)OC(C)(C)C)C1 2255646723 QJMMXULZVGJCFZ-UHFFFAOYSA-N 432.330 1.904 30 10 IDEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H]1NC(=O)OC(C)(C)C 2255694507 ONNQFCYUHUIKIT-OLZOCXBDSA-N 435.334 1.100 30 10 IDEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2255829093 ZZKVKYHWJUCGNJ-ZIAGYGMSSA-N 434.346 1.942 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 2255830436 GGHDJJHQSWXMCL-UHFFFAOYSA-N 434.346 1.815 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)n1 2255840249 JZHVFSNYNKZYMQ-QGZVFWFLSA-N 426.326 1.528 30 10 IDEE Cn1ncc(C(=O)Nc2n[nH]c(CNC(=O)OC(C)(C)C)n2)c1B1OC(C)(C)C(C)(C)O1 2267007239 VOVUFOXIWKNCAS-UHFFFAOYSA-N 447.305 1.114 30 10 IDEE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267275950 VISBCPCHHGOHDE-SJLPKXTDSA-N 439.369 1.755 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3CS(=O)(=O)C3)cc2Cl)OC1(C)C 2282843382 MJUWHXUPZAOMKW-UHFFFAOYSA-N 441.789 1.024 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2341160312 BEAZZECRUXNAQX-KKUMJFAQSA-N 444.341 1.904 30 10 IDEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105452397 UKJOMXYOJQZJEM-UHFFFAOYSA-N 427.530 1.945 30 10 IDEE Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431225778 PRAIRPHUVQCLJL-UHFFFAOYSA-N 433.624 1.884 30 10 IDEE CC(C)(C)C(=O)Cn1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)nn1 468915552 HCZCKISOCYCBPO-MRXNPFEDSA-N 426.502 1.919 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CCN1Cc1ccccc1 477009496 DIVFYXWBYKBSLU-SFHVURJKSA-N 431.539 1.415 30 10 IDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486630800 WKESSCPCCBAMPY-LJQANCHMSA-N 447.538 1.431 30 10 IDEE C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 495052715 YJFXTIUFXBSOOJ-IXDOHACOSA-N 427.549 1.942 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 508497874 NYECFSGISOZALP-IEBWSBKVSA-N 447.561 1.800 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 509582153 DIKLPJSVYRZSJG-UHFFFAOYSA-N 447.463 1.736 30 10 IDEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511998325 ZWEGYMSOXDOWFJ-PKOBYXMFSA-N 437.562 1.233 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1 512705854 QWXGBDTVJWEZKZ-UHFFFAOYSA-N 438.528 1.675 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2COCCO2)n1Cc1ccccc1 517063593 RKFZRTSFMHBSCK-FXAWDEMLSA-N 446.515 1.791 30 10 IDEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)s1 532708675 KXWZRQHQBAELQO-UHFFFAOYSA-N 429.567 1.626 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCO1 549472165 HRVYQFNHSPNFMU-WBVHZDCISA-N 432.550 1.970 30 10 IDEE Cn1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCOC3)CC2)c1=O 555478179 PNUIKAMPFFCGMC-SFHVURJKSA-N 446.515 1.274 30 10 IDEE C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 580904769 BRUWKBYPOUICLK-UHFFFAOYSA-N 449.559 1.983 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 610926518 MFLVXKRCIOTKKS-QFBILLFUSA-N 430.505 1.902 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 669804642 OHZGESKSISVYKF-HOTGVXAUSA-N 449.581 1.756 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3nn(C)cc32)cc1 670241298 UNFRYUCARTZZKH-KRWDZBQOSA-N 431.518 1.359 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C 727415367 MQTSCIJPJQRUGQ-UHFFFAOYSA-N 437.521 1.846 30 10 IDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1CCS(=O)(=O)C1 729332838 ZJEIKMCANOYAHP-XJKSGUPXSA-N 439.331 1.451 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 732466415 NIGIJOILNBXMHE-VXPUYCOJSA-N 447.923 1.572 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 733124786 BJQZTUJXVJBGEB-PGMHBOJBSA-N 433.512 1.299 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 734292923 KOWILBRXLZZPLT-NRFANRHFSA-N 438.465 1.065 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@H]1CCCO1 743729174 XKCHMZARJATLLG-NVXWUHKLSA-N 444.557 1.050 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 746152091 FHEKGEWQFRCORM-HNENSFHCSA-N 432.864 1.667 30 10 IDEE CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 753290687 DSCQRBQKHKMAAK-LJQANCHMSA-N 427.505 1.968 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCS2)cn1 757369795 FPFRTJYOCDLDMG-HOTGVXAUSA-N 438.623 1.798 30 10 IDEE CC(C)(C)OC(=O)N1CCN2C(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C[C@@H]2C1 760553781 ZJUULMBHIBDINI-SFHVURJKSA-N 441.536 1.390 30 10 IDEE C[C@@H]1CC(=NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)NO1 765380289 ZMVIZLRLEVFAQI-SNVBAGLBSA-N 432.296 1.322 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCO1 773560028 QFBASLBMQNNGDZ-SJORKVTESA-N 445.463 1.902 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NS(=O)(=O)c3cccc(C#N)c3)C[C@H](C1)C2=O 778598277 LNRCIJDPYOVZPX-MQVJKMGUSA-N 447.513 1.825 30 10 IDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCCO4)c2=O)c(C)n1 781659588 IWEFPZWMUQBYSC-UHFFFAOYSA-N 446.488 1.717 30 10 IDEE N#Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1N1CCC(O)CC1 785006289 KVQIEGLAICDJHH-UHFFFAOYSA-N 449.511 1.933 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1C#N 805201235 BVZJYIRPUGBRQL-MRXNPFEDSA-N 426.860 1.758 30 10 IDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@H]2CCc3n[nH]cc3C2)cc1Br 809123504 ASSNLHSDUVBYJW-QMMMGPOBSA-N 427.255 1.793 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1CCCO1 812310915 RUVSFXBXYXKZEW-PZJWPPBQSA-N 436.560 1.873 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 813562943 NSCLMFIPPVSVEJ-DOTOQJQBSA-N 433.578 1.437 30 10 IDEE C=CCn1cc(C=NNc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)cn1 1084382451 XQMCEPOFZQNTJY-UHFFFAOYSA-N 441.521 1.238 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1116547785 WPNCJPUUBPOFLJ-OAHLLOKOSA-N 425.507 1.525 30 10 IDEE COc1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc(OC)c1OCC(N)=O 1130928288 BIQQITBMDQFPIT-UHFFFAOYSA-N 430.486 1.463 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)s1 1145002920 AKPHTXAFYJIYPV-DZGCQCFKSA-N 445.632 1.817 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN1CCN(C)CC1)CC(=O)OC 1155755730 ULMROAMTVCAPNA-INIZCTEOSA-N 446.976 1.271 30 10 IDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1cncc(C#N)c1)n2C 1156108024 LJDNGHUBPFRXMQ-UHFFFAOYSA-N 426.502 1.339 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1)c1cc[nH]n1 1157594930 VXOIBCYXBDUSHN-NSHDSACASA-N 440.382 1.518 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1cccs1 1286281437 HKWSYEGWKWMZAO-HNNXBMFYSA-N 447.528 1.870 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1N1CCOCC1 1286301149 AEEDPAHYCGZOHE-QGZVFWFLSA-N 440.523 1.882 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286398464 JUBIYQADVPPWAI-IAGOWNOFSA-N 435.575 1.764 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286400368 DMIZPTXFJBJCDV-HSZRJFAPSA-N 443.548 1.870 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1286464457 BATABCHBMPNBSG-GOSISDBHSA-N 442.495 1.193 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nncn2CC)CC1 1286471156 HEIFZMIOUVJWCT-QGZVFWFLSA-N 438.511 1.972 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1286816536 GBAPFFNEROYOSS-ZBFHGGJFSA-N 427.571 1.927 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1286833146 WBGHBOQCOAQMCF-MRXNPFEDSA-N 441.623 1.404 30 10 IDEE CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1287741736 OJBKVSLOPDCDNA-HNNXBMFYSA-N 427.509 1.622 30 10 IDEE CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1292981616 JXNFYXJSKMQXTG-YWMAMYRUSA-N 445.524 1.470 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1300274251 VFXSMOXRVUAPJJ-GJZGRUSLSA-N 433.534 1.440 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCCn2ccnn2)c1 1300334422 LSYLIYZNYHCLKF-LJQANCHMSA-N 448.531 1.910 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1300364682 LSWJYTRLCPSSRS-SFHVURJKSA-N 434.566 1.545 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1300396506 WIOWRATWNUHYHN-QGZVFWFLSA-N 436.530 1.561 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@H](OC)C3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1300397615 HXIPCXSBFMULGN-JLUOLNIDSA-N 438.488 1.705 30 10 IDEE C#CCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424632 JWPUBPDJKDTBOU-SIKLNZKXSA-N 428.537 1.834 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1SC 1300465089 KURWAGXDTXAZJF-KRWDZBQOSA-N 449.602 1.759 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300492281 MLPMKBJDKGVDGX-LJQANCHMSA-N 447.605 1.963 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1300681624 VYNABHXEZQKLML-HSZRJFAPSA-N 440.523 1.316 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1300683940 UJSHDMXDQJSAGP-NVJIOZQYSA-N 431.581 1.699 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2noc(CC)n2)CC1 1300723631 YCEWDGNGFVUBOV-UHFFFAOYSA-N 448.531 1.802 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cccs2)CC1 1301499260 AOQDQNMSOZOSKB-QGZVFWFLSA-N 430.578 1.858 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301506293 ILXJQNSMAQPEPY-UHFFFAOYSA-N 440.552 1.196 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301578320 XBLVYNIYNKKTBY-ZWKOTPCHSA-N 429.546 1.793 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc3ccccc3c2Br)CC1 1302923646 BMTNZTACQSODFL-UHFFFAOYSA-N 426.292 1.421 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCN2CCC(S(=O)(=O)N3CCCCC3)CC2)nc1 1308098282 YDFAUVTZVCDEMF-UHFFFAOYSA-N 426.564 1.007 30 10 IDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccc(C#N)cc1 1311725580 BCTSWGBVMSYTJA-KRWDZBQOSA-N 427.530 1.981 30 10 IDEE Cn1ccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)n1 1314906266 GWUQHWPRGAZHBN-CQSZACIVSA-N 431.298 1.741 30 10 IDEE C=CCO[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1320897125 AIOIKXYNCUTXEI-MJGOQNOKSA-N 437.562 1.620 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1358890551 QZHFJUMMFDEDNK-GOEBONIOSA-N 436.559 1.090 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC=C)C1 1358913008 CXDASVYYSUGPRZ-ZWKOTPCHSA-N 437.566 1.196 30 10 IDEE C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1358913555 QVGPXRXXFMWPLV-OKZBNKHCSA-N 447.536 1.952 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358952676 UGRFUZWESHAUAL-QGZVFWFLSA-N 439.486 1.862 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1358963459 ILCLEEDTTHNNNP-QZTJIDSGSA-N 432.521 1.905 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1358994100 FBIBFVRJGVIPMO-MRXNPFEDSA-N 440.554 1.696 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359054366 SRHYJDNVMXCQGA-UHFFFAOYSA-N 425.518 1.227 30 10 IDEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359167803 VGEAFFUTERDLMT-QFIPXVFZSA-N 446.573 1.778 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCC(C)CC1 1359240161 HJVRGOIVIVCFPV-ROUUACIJSA-N 440.614 1.354 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359294409 SMLWXQIEVFDMCX-IAGOWNOFSA-N 439.476 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359329615 OSUOBVMTHDSEAH-GASCZTMLSA-N 441.941 1.444 30 10 IDEE C#CCN(C(=O)c1ccnc(Cl)c1I)[C@@H]1CCS(=O)(=O)C1 1442015801 HHKNICMMECIIFK-SECBINFHSA-N 438.674 1.602 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(COc3ccccc3)n2)CC1 1443353523 GKUYKRDMXQJTDV-UHFFFAOYSA-N 426.542 1.548 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1443843491 CQQMXUBNBSIAGY-DHZHZOJOSA-N 445.516 1.661 30 10 IDEE C=CC[C@]1(C(=O)N2CCN(C(=O)C(OC)OC)CC2)CCCN1C(=O)OC(C)(C)C 1453156216 CETXUBKXLLNYLT-OAQYLSRUSA-N 425.526 1.622 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(OCC)c(OCC)c2)CC1 1455116059 VTGSEAGCVBRIQK-UHFFFAOYSA-N 437.562 1.373 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 1464120257 GLQYCHBTCVTKGU-IRXDYDNUSA-N 434.562 1.334 30 10 IDEE Cc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1B1OC(C)(C)C(C)(C)O1 1464715947 BFKLINSWMYORPR-HXUWFJFHSA-N 443.397 1.967 30 10 IDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1468543274 FECRGPSPOOGODD-FQEVSTJZSA-N 433.516 1.764 30 10 IDEE Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)cc1B1OC(C)(C)C(C)(C)O1 1471389987 KMGAPRTWZGRYOK-QGZVFWFLSA-N 428.338 1.397 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1 1473703748 XXICTYZGJPHNLC-FQEVSTJZSA-N 429.502 1.233 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1502969480 FEKCTBGLMVDUTM-BSBNDGSWSA-N 437.504 1.872 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1503403094 LHKRUCHTXXTCHW-FQEVSTJZSA-N 435.536 1.828 30 10 IDEE COC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)OC 1504578272 HPHUUJJWENKEEF-QWHCGFSZSA-N 425.287 1.426 30 10 IDEE COCCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1505015441 QATZKUYUGMTRRN-GOSISDBHSA-N 440.504 1.203 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1507711960 NMLDHKXIOBPARL-UHFFFAOYSA-N 435.525 1.130 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)N1CCOCC1 1507771114 VCJOQYFLVADWFY-AUSIDOKSSA-N 428.581 1.749 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507781750 HWTZUYDRFWDMOG-KBXCAEBGSA-N 439.358 1.439 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1507836018 UDHKKUKGUJXOMM-UHFFFAOYSA-N 430.553 1.556 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507865460 CQFVKXXDTUHMLW-CYBMUJFWSA-N 448.936 1.568 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nnc(C)s2)CC1 1507883178 ZNOFAORKSGYXHZ-ZDUSSCGKSA-N 425.584 1.837 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508073454 NJGYHEHJKZYVMZ-NRFANRHFSA-N 426.477 1.287 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)C1 1508107890 CWKUGFHAIHQZMW-INIZCTEOSA-N 441.492 1.549 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCOCC2)C1 1508124118 FCDXFDPUKCOSCB-LJQANCHMSA-N 426.521 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1508136445 SBXJJSVZELYTNB-OAHLLOKOSA-N 430.534 1.236 30 10 IDEE Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511814596 UBAIATPDHQRZTJ-FMQUCBEESA-N 441.536 1.342 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)[C@]2(C#N)CCCOC2)C(F)(F)F)CC1 1523876980 DERZWUHAOBLDTR-KDOFPFPSSA-N 434.459 1.907 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3sccc3CC#N)cc2)CC1 1529528427 ICFHDHVZOMXVLO-UHFFFAOYSA-N 433.511 1.751 30 10 IDEE CCc1c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C 1534973800 UOJNBGNCDHBIAO-UHFFFAOYSA-N 447.495 1.502 30 10 IDEE CC(C)(C)OC(=O)[C@]1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1538410485 UFMQPWNJLZPLLD-AOMKIAJQSA-N 442.472 1.380 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1539111857 BXOJLTMFDGBGNT-KRWDZBQOSA-N 447.565 1.025 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1539206968 YFJLVCPUIOPAAG-OALUTQOASA-N 447.561 1.188 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539212728 RWOFPBRBZZJBLX-KNQAVFIVSA-N 441.557 1.850 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)CC1 1539446035 OONYOKBLXXMKHI-DLBZAZTESA-N 427.578 1.349 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1539661568 IGTRRMKRLGTPHJ-UHFFFAOYSA-N 429.550 1.971 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1539803072 DJELBDZFXRFLEK-MRXNPFEDSA-N 425.942 2.000 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1)C1CC1 1540107447 BCBUAROBWBNQRG-MRXNPFEDSA-N 425.555 1.071 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@@H]1C)C1CC1 1540107505 BFYYTOWKWPZBRU-WMZOPIPTSA-N 438.598 1.250 30 10 IDEE C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C)C1CC1 1540109032 NTICVNYQTBZSRX-QGZVFWFLSA-N 444.540 1.918 30 10 IDEE C=CCn1c(N2CCC(NC(=O)c3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1540860889 RPLFTRRPCRJATH-NRFANRHFSA-N 430.509 1.811 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC(C)(C)C1 1540874306 BFVULAAWLKIJFU-UHFFFAOYSA-N 434.591 1.904 30 10 IDEE C=CCOc1ccc(Cn2c(Nc3cnn(C)c3)nnc2[C@H](C)NS(C)(=O)=O)cc1 1540878685 DYPNGCKTKWWCBF-AWEZNQCLSA-N 431.522 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540905783 ZQYKUNZHIZXUEW-IBGZPJMESA-N 446.577 1.169 30 10 IDEE CN1CC(=O)N(c2cccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)C1=O 1541065996 YWCWODFETWOUOY-UHFFFAOYSA-N 430.417 1.774 30 10 IDEE Cc1ccccc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1542710279 VXSDPWZNXNHZHP-JDAKFOBDSA-N 449.515 1.447 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1547525701 DSUOVBBZWHGISZ-UHFFFAOYSA-N 444.503 1.730 30 10 IDEE CS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1555806407 FBGFDZGNZHLVBL-UHFFFAOYSA-N 441.517 1.769 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)c1 1556821595 HNBVCVDJHRSKKK-UHFFFAOYSA-N 425.466 1.371 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl)c1cc[nH]n1 1557565340 FPFMMTXJXQGYHA-ZDUSSCGKSA-N 429.260 1.850 30 10 IDEE CCCN(C(=O)[C@@H](C)N1CCN(c2ccc(F)cc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 1560077267 GHFZRZCDVOUVFG-VQIMIIECSA-N 436.553 1.634 30 10 IDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1587869437 MOOISCZUOFBNQP-UHFFFAOYSA-N 430.578 1.976 30 10 IDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1588975663 IONNRFXKTSYPSE-KRWDZBQOSA-N 432.594 1.429 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589077912 DVNHJUADXPMZOC-UHFFFAOYSA-N 427.578 1.664 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1589394457 GDBGTPJKUUMBIH-IIYDPXPESA-N 426.315 1.522 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1595476344 KADXWSFZFNNMHA-GOSISDBHSA-N 431.585 1.228 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC=C(COC)CC1 1595551980 ZBAKHCWHXMXRDL-IBGZPJMESA-N 425.489 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(c2cnn(C)c2)CC1 1595798553 QGCYHAMWAPUNLD-QGZVFWFLSA-N 434.566 1.500 30 10 IDEE COc1c(N)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(Cl)c1Br 1597371815 IPOKJJJNWPANHS-AYVTZFPOSA-N 448.726 1.704 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](OCCOC)C2)C1 1616566554 JAUOUZVLUVFXPM-RZFJCUDFSA-N 441.532 1.988 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1617345716 BHXONJAZTIYRKQ-SFHVURJKSA-N 432.550 1.713 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCCC1 1619994706 KRIFPKXFDPPZSK-OAHLLOKOSA-N 442.520 1.842 30 10 IDEE C#Cc1cccc(N(C)C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1 1622729253 VZRHKJSWLYGAHW-KRWDZBQOSA-N 447.538 1.802 30 10 IDEE COC(=O)c1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1624061615 ARYYVNCUUUGWQL-UITAMQMPSA-N 429.454 1.484 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1 1627753174 XLPZMJQCFCWEKH-CEXWTWQISA-N 430.530 1.722 30 10 IDEE N#Cc1cc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)ccn1 1635745648 OPXURFQGVGEJEK-UHFFFAOYSA-N 430.486 1.489 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC2)c1C#N 1638692480 VQNGKISQMZHENS-PBHICJAKSA-N 434.541 1.113 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)ccc1F 1643631340 GARHABBBSAJTTH-UHFFFAOYSA-N 433.505 1.954 30 10 IDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)C[C@H](O)c1cccc(C#N)c1 1643726051 UWRNQAJQOTWRGM-VLIAUNLRSA-N 428.514 1.149 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)cc1 1644208660 SUAWYSPFWAUTRV-INIZCTEOSA-N 440.518 1.544 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)c1 1645032506 XHYPGTGCOUDZHN-QGZVFWFLSA-N 441.509 1.447 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)n1 1671103190 DMYNUZTUEPZUDD-CQSZACIVSA-N 431.518 1.931 30 10 IDEE C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1677747508 HFIFGMQCEUCCQW-NSHDSACASA-N 425.367 1.606 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)CC1 1682735079 LUMIMLVRTZJLFP-SFHVURJKSA-N 436.578 1.590 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)Cc1ccc(F)cc1C 1683409886 LKZUKWUPEHFMMV-LJQANCHMSA-N 438.507 1.837 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1689847563 CEIXOYWFYUTPLI-QZTJIDSGSA-N 449.559 1.497 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1Cc1cn(C2COC2)nn1 1689865127 OIRMOZQJCNAWFN-MRXNPFEDSA-N 437.504 1.925 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1690101044 MESCNTABRSTISC-GOSISDBHSA-N 431.500 1.874 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1690103240 BFQAQRYLISRKAX-RTBURBONSA-N 437.610 1.531 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(Cl)cn2)CC1 1690109036 DLKBWPYWFORNNU-UHFFFAOYSA-N 443.939 1.397 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2cccs2)CC1 1690148417 GCZJBDCFXXWFCV-UHFFFAOYSA-N 442.589 1.934 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1690205990 DLJCSGQNSVDUCM-LAUBAEHRSA-N 433.578 1.575 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690470886 OBLQBAQTHSDPNR-CABCVRRESA-N 428.559 1.569 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690720976 WNNWIOHZFRSBHW-IEBWSBKVSA-N 446.577 1.098 30 10 IDEE CN(C)C(=O)CCn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696586003 MSZDVTFHAYXRBF-UHFFFAOYSA-N 437.529 1.944 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1698223217 KSGJLYXRZYNHFM-HXUWFJFHSA-N 437.504 1.791 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705598692 OYUBVOOIVYTMMD-VAMGGRTRSA-N 445.589 1.449 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 1705754731 FAQKDLOXSNCNFT-CABCVRRESA-N 433.962 1.369 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1705899805 HMPNWYDGPSRQGG-INIZCTEOSA-N 427.534 1.929 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1705909014 JSYWHOTULQISCQ-CTASWTNQSA-N 447.458 1.460 30 10 IDEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)cs1 1708994950 BYRGIHRVNUNHOP-LESCRADOSA-N 432.550 1.992 30 10 IDEE CCN1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2CCC(C#N)CC2)CC1 1710264825 OLZORPIJPGIYIQ-RTBURBONSA-N 433.601 1.768 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1710989332 IBBVAKPZQZWHIL-SFHVURJKSA-N 437.548 1.454 30 10 IDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)CC1 1712219122 SGEWZYJONFKCHP-UHFFFAOYSA-N 444.561 1.927 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1712546694 KALRTYIFPOWVFS-WMLDXEAASA-N 437.522 1.528 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722308732 PVBFAQQVDHBQKL-DLBZAZTESA-N 439.582 1.466 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1722316908 OAMJVRQZWGUPSC-OFLPRAFFSA-N 427.546 1.599 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722369222 ZSWASHKKVILXGP-OLZOCXBDSA-N 438.497 1.662 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc34)n2CCOCC)CC1 1722438488 TVHGCTWENMLKRJ-UHFFFAOYSA-N 449.559 1.857 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC2(O)CCOCC2)CC1 1722447748 ONWNRIMDQVRMJN-UHFFFAOYSA-N 431.581 1.764 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1722472947 XNKHNUGRBZTPDL-RTBURBONSA-N 435.575 1.176 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(OCC(N)=O)CC1 1722511189 XNXQFSXHEFZTQP-AVRDEDQJSA-N 440.548 1.716 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722554737 HDQYNJYKVCRFIW-CABCVRRESA-N 427.958 1.524 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722697626 NCKUIMHGHGYRRO-CQSZACIVSA-N 427.431 1.529 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722701401 OTDGCYMQFYITSM-LJQANCHMSA-N 435.532 1.378 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(O)c2)CC1 1722728323 PSLCBRYMULBMOU-KRWDZBQOSA-N 447.561 1.415 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1723933960 VNIIBMYOSYNZPG-HOCLYGCPSA-N 448.549 1.654 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1729791252 FGUABFNHWKSDRY-RTBURBONSA-N 440.504 1.757 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC[C@@H]1C 1730387405 LNRZJKCKQGUASJ-PXNSSMCTSA-N 438.532 1.927 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCC[C@H]1C 1730763376 VPYIFZIKLYXRCB-VFNWGFHPSA-N 430.509 1.923 30 10 IDEE C#CCCCn1c(C2CCCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1740590470 MAVTZBUFWYKWTK-LJQANCHMSA-N 435.594 1.980 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)CC1 1740695698 BIVSEQXUVLFZKH-LJQANCHMSA-N 449.621 1.675 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740716666 WIZLZFXVDBQMTH-SFHVURJKSA-N 436.545 1.813 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740717766 AFLYIINWLPRHCZ-DLBZAZTESA-N 443.577 1.546 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CCC(N)=O)CC1 1740763925 RPXVSVDJFNQDNM-GCJKJVERSA-N 444.580 1.864 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC3(C2)OCCO3)CC1 1740818645 PXYAJVNGOKGAES-CVEARBPZSA-N 425.555 1.588 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)C1 1740985081 BCGHGDNCPRSZKO-AWEZNQCLSA-N 436.563 1.468 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1743402129 LIDOCCWBMYSLEG-ZJYNUGOYSA-N 429.525 1.423 30 10 IDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1746668379 DRIZSHGRTOFPPY-XLIONFOSSA-N 437.566 1.495 30 10 IDEE CCOC1CC(O)(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1746957359 UDWAVALMSXTLGG-UHFFFAOYSA-N 426.521 1.942 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748820698 HMJXJBKNFOQXPR-PMACEKPBSA-N 433.622 1.978 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1748961205 XOUGNMBCGIWWRD-IAGOWNOFSA-N 448.568 1.961 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1749038476 KIKDIQISMHMEQF-HUUCEWRRSA-N 435.579 1.017 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 1749049374 KDFPSTQYHXHWBC-HXUWFJFHSA-N 433.578 1.864 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749264695 CNJABRSTSLGHQU-OAQYLSRUSA-N 441.923 1.907 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1749600236 SUZJKCPDRURHLG-RXAIFQJESA-N 432.612 1.366 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1749655254 GEDMQOPWVCTLSQ-OAHLLOKOSA-N 447.561 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1749663377 BYIOSNXOMQMUPQ-UHFFFAOYSA-N 447.547 1.882 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749676001 ANDBDVFEOGTESP-JLTOFOAXSA-N 432.550 1.320 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(COC)CC1 1749677970 QSGMJDQNKJGXOA-UHFFFAOYSA-N 446.577 1.825 30 10 IDEE CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1750534890 NKNZIQQDSHUTRF-CABCVRRESA-N 436.513 1.086 30 10 IDEE CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1750706975 HAISVSWKIDAGIA-HNENSFHCSA-N 431.541 1.354 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1n[nH]c(C)n1 1760111358 MIKQOFIQWZAAMM-ZDUSSCGKSA-N 427.538 1.365 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1760187227 CEGFFMALMSVIEH-INIZCTEOSA-N 444.586 1.918 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(COC)c2)CC1 1760268061 BHPIYGXLLKMLES-UHFFFAOYSA-N 445.527 1.896 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760358561 WPKSIUGTMNGNFW-SJORKVTESA-N 432.525 1.141 30 10 IDEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760377777 NBGOMVYCCMDVPE-UHFFFAOYSA-N 448.980 1.954 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760566274 QBRJYNDAVWDHFW-KRWDZBQOSA-N 436.582 1.275 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1760569040 ATICXEBXEISDGC-GOSISDBHSA-N 433.582 1.400 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1760585990 GXHCTEQESZCYTE-GOSISDBHSA-N 436.520 1.957 30 10 IDEE CCC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1763875456 ACKNRVJQDRQSIO-FGTMMUONSA-N 440.552 1.974 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCOC1 1767444444 VWDZZSFBWCJOAQ-GOSISDBHSA-N 435.326 1.937 30 10 IDEE COCCOC[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1770163681 XZPLTEXQNXGVPF-HOTGVXAUSA-N 449.533 1.182 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1770336758 SKJUEKASCMGEMH-UHFFFAOYSA-N 437.529 1.583 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NCC(F)F)CC1 1770740543 IEHLXXNLMLXKCM-UHFFFAOYSA-N 441.446 1.248 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)N(C)C 1771213826 MZXMQOZHTYRFFN-QZTJIDSGSA-N 442.568 1.545 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCCCO2 1771223441 WOIZGLXJKDWCOC-AEFFLSMTSA-N 443.504 1.940 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1ccco1 1771288151 CAPFTKWHZGJGLA-WMZOPIPTSA-N 428.493 1.765 30 10 IDEE CS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CC#N)CC1 1771368463 OLDUSZHXBWEQSP-UHFFFAOYSA-N 438.504 1.826 30 10 IDEE CCOc1ccc(Cc2cc([C@]3(OC)O[C@H](C=O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 1848440067 LPWQBYWTTRZKNN-BDHVOXNPSA-N 436.888 1.809 30 10 IDEE N#Cc1cc(Cl)c2nc(C(=O)N3CCCN(C4CCS(=O)(=O)CC4)CC3)cn2c1 1853194588 UGIWVUMBQFBDBC-UHFFFAOYSA-N 435.937 1.584 30 10 IDEE Cn1c(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc2ccccc21 1857041915 OFMGGDQXTLHXBX-QGZVFWFLSA-N 428.514 1.732 30 10 IDEE C=CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861509282 SNZCXXWHXQUOBA-CYBMUJFWSA-N 435.436 1.632 30 10 IDEE C[C@H]1CN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCOCCO)C[C@H](C)O1 1870349861 GNEOUGJFUONSKM-OALUTQOASA-N 441.528 1.917 30 10 IDEE CCCCCCCCN1C[C@@H](C(=O)N2CCC(C(=O)NCCNC(C)=O)CC2)CC1=O 1872927336 ZLIDGQVBSHLSRU-FQEVSTJZSA-N 436.597 1.686 30 10 IDEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N3CCN(CCO)CC3)ncnc21 1873596467 YATQHUFMRLKLNM-UHFFFAOYSA-N 430.553 1.014 30 10 IDEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874499771 ZVVUVTSBWZYDKG-KEBDBYFISA-N 437.522 1.990 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@H](CNC(=O)OC(C)(C)C)OC)C1 1901535972 YXFYCIXPGQNFBR-FAGJFJLWSA-N 425.526 1.949 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCN)s1 2108227672 JLNYNTYPFHABCN-SFHVURJKSA-N 436.490 1.219 30 10 IDEE CO[C@@]1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN(C(=O)OC(C)(C)C)C1 2124536525 RDNQJEXFKKAFKF-NRFANRHFSA-N 448.329 1.740 30 10 IDEE CC(C)[C@@H](C#N)CS(=O)(=O)NCc1nn(C)c(Cl)c1I 2174384342 REYMMOJLIKZSPK-QMMMGPOBSA-N 430.699 1.893 30 10 IDEE C=C(CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C1)B1OC(C)(C)C(C)(C)O1 2247963620 YKDQAQGXJQOMGY-LSDHHAIUSA-N 446.375 1.728 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248403618 FUEYBJADMDYXID-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2255821224 BUHGEHRQQZRNHP-GJZGRUSLSA-N 432.330 1.553 30 10 IDEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2256675801 SZTZYAQBPQUIHP-BZUAXINKSA-N 438.330 1.387 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)n1 2267113234 QSRGQOAOEQOERO-CQSZACIVSA-N 449.361 1.634 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)CC1 2267219429 DGVVLYPOEAUVMQ-AWEZNQCLSA-N 449.361 1.634 30 10 IDEE Cc1cc(S(=O)(=O)N2CCCC3(C2)OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2267353076 OJWMCXMVKQKYCH-UHFFFAOYSA-N 429.369 1.883 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2267510186 HAUXTPCVVJOFRC-GJZGRUSLSA-N 448.373 1.952 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268646087 XITBKPALMIVKKE-CRAIPNDOSA-N 448.369 1.919 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268680535 LYYKTOIXYDOPHL-JOCHJYFZSA-N 447.341 1.939 30 10 IDEE COCCOCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834420 UGTIYIFEIYTFQZ-UHFFFAOYSA-N 425.765 1.642 30 10 IDEE COc1[nH]c(=N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2317502057 UWLFSSZTSKECBL-CABCVRRESA-N 435.330 1.515 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)CC1=O 2327842792 LXEVHPRJGJUWJF-GFCCVEGCSA-N 432.506 1.263 30 10 IDEE COc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)Nc1nccs1 2330747783 IZZUMQXOMGCVLA-UHFFFAOYSA-N 445.530 1.992 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccc(O)c1 2330748455 RCOSELKGEXWIGU-UHFFFAOYSA-N 431.503 1.689 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 33233813 BPTSIGZGAKXIKB-UHFFFAOYSA-N 442.541 1.547 30 10 IDEE C=CCNC(=O)N1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 34692203 MYZJBJIOGRYWCF-HXUWFJFHSA-N 434.512 1.197 30 10 IDEE CC(C)NC(=O)CN1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@H]2CCCO2)CC1 46022153 GPNHFQOXOHOOKQ-LJQANCHMSA-N 431.537 1.283 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccn1 72472467 JXFNRQWTCLMDTK-DYVFJYSZSA-N 430.424 1.772 30 10 IDEE O=C1C(=C2C=C(S(=O)(=O)O)c3cc(S(=O)(=O)O)ccc3N2)C(=O)c2ccccc21 256027841 FTPDKRKOZJLHBH-UHFFFAOYSA-N 433.419 1.921 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 410191309 CSVDVLFOIYRFHU-WBVHZDCISA-N 439.969 1.761 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(CCO)CCC3)nnc12 432706082 UFCHMEGTZYQPAX-UHFFFAOYSA-N 427.530 1.991 30 10 IDEE CCO[C@H](C)c1noc(CN2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)n1 466106595 JRTCULUHGVJDFM-MRXNPFEDSA-N 428.493 1.945 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)c1OCC(=O)O 472345636 IEDYBYVAWCLYRO-UHFFFAOYSA-N 447.517 1.191 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)NCCN(C)C 488258933 BFEHPZNLCOTUIA-UXHICEINSA-N 442.564 1.051 30 10 IDEE N#Cc1cccc(CS(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 507385917 SHBIYWMTSFCNHS-UHFFFAOYSA-N 441.556 1.260 30 10 IDEE Cc1ccccc1C(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 512399570 LLLJISSHGSPBOU-QFIPXVFZSA-N 425.577 1.882 30 10 IDEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)N3CCC[C@@H](C(=O)O)C3)CC2)c1 547889789 MEFXADNEPHACOV-CQSZACIVSA-N 440.909 1.435 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 573462460 YUWHTZAFRSJYMI-GOSISDBHSA-N 435.550 1.832 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 583643778 XTNWWAJSNOHCGD-MRXNPFEDSA-N 425.580 1.928 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccccc1C#N 604003044 YDBFSBKGISADIX-UHFFFAOYSA-N 433.518 1.341 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 604194753 ADUVTTNCHFTHLZ-UHFFFAOYSA-N 435.613 1.430 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)cc2)nc1 609507767 SACSRCSMIADVBF-LJQANCHMSA-N 444.513 1.964 30 10 IDEE C=CCNC(=O)CN1CCN(c2ncnc3ccc(I)cc23)CC1 609849255 FSNUTUYMWRJTLW-UHFFFAOYSA-N 437.285 1.659 30 10 IDEE C=CCOCCNC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 679503680 IDIYFOYLBSAVIQ-UHFFFAOYSA-N 426.311 1.884 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nncn2C2CC2)C1 732086181 ZDXCFNCSRPTJSA-OAHLLOKOSA-N 442.545 1.838 30 10 IDEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)n1 732466366 MZBIJLBKFCDXPS-MEUCICPISA-N 426.477 1.277 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 734293958 VMIUTAAVURDEBU-UHFFFAOYSA-N 433.511 1.698 30 10 IDEE C#CCN(CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 749284121 NXHVIJXTJWCVIU-RBBKRZOGSA-N 447.601 1.461 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)CC2)n1 760622103 ZHARNCDDDMAGOM-UHFFFAOYSA-N 439.419 1.965 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cn1 763713767 OWAJNAABAIGWIZ-UHFFFAOYSA-N 426.433 1.971 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767746511 PNYPTLCAENSWPB-MGNMYUMUSA-N 435.521 2.000 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)n1 789245356 VAUWQXRNVWPHNO-UHFFFAOYSA-N 439.582 1.267 30 10 IDEE C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1=O 790893171 XEELWJAPRBJQAT-WMZHIEFXSA-N 436.516 1.793 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc2cccnc12 804960860 ZMFXGWDLFWKOGE-CQSZACIVSA-N 443.344 1.808 30 10 IDEE N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2ccc3c(c2)OC(F)(F)O3)nc1 809176018 IWSGHIIQUTYIAQ-UHFFFAOYSA-N 430.410 1.663 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 810361018 GIGFKHHWYYQJSV-HNNXBMFYSA-N 436.534 1.600 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 812187624 AXPRPWKDZRXZDW-HKUYNNGSSA-N 448.593 1.320 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)C[C@H]1CS(=O)(=O)C2 1134645955 ZVNNYXFHOZVPJD-IFXJQAMLSA-N 434.495 1.264 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1C 1137305534 MVVWUZWXOCHSOJ-UHFFFAOYSA-N 425.463 1.592 30 10 IDEE C#C[C@H](CO)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1141495856 JMGUQIVLFHTOSY-GKWYLQRDSA-N 425.329 1.761 30 10 IDEE CCN1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2F)CC1 1152768638 SSSBPKRSDPRGJX-UHFFFAOYSA-N 445.520 1.756 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2c(OC)cc(OC)cc2OC)cc1 1158411802 MPTWLPLIUHTRCJ-OAHLLOKOSA-N 446.525 1.985 30 10 IDEE Cc1cc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(C#N)cc1N(C)C 1205941849 GBDIYGBBQOHYLJ-KRWDZBQOSA-N 435.550 1.591 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)NCCn1cnc(C#N)n1)Cc1ccccc1 1248553199 PUBMNIIYVOWNKG-QGZVFWFLSA-N 427.509 1.975 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCCn2cnnn2)c1 1286310594 WKGHABQWIUPMIH-UHFFFAOYSA-N 444.503 1.417 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286389178 GTFZJUNYKBDJQU-WDSOQIARSA-N 441.557 1.660 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1286412745 CQYZRTZTBHAQLV-UHFFFAOYSA-N 448.575 1.830 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1286431553 PHPBNLNLHNGWBX-VQTJNVASSA-N 431.606 1.765 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1286442866 PEQUKUMIERKONV-UHFFFAOYSA-N 442.545 1.740 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1 1286581982 PHMAYMKVGWSNAY-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286666310 BBUKFUMMWSFJGO-LSDHHAIUSA-N 439.586 1.047 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1286740276 HDDOSXWVUUCIHC-QHCPKHFHSA-N 441.532 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 1286787618 XLIDJDSUUZLETB-INIZCTEOSA-N 440.577 1.926 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C2CC2)CCO1 1286941087 HSDFNVJMPFQOON-IIBYNOLFSA-N 437.548 1.641 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1288018625 JOSUFILQSXLHSM-UHFFFAOYSA-N 425.493 1.232 30 10 IDEE C[C@@H]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)C1 1291055394 GBNDJMXXWLJFKT-NJAFHUGGSA-N 436.582 1.787 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2sccc2S(N)(=O)=O)c1 1291629908 YFPOPZNDIIKVKS-XMHGGMMESA-N 442.544 1.461 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cc[nH]n1 1293928522 GHJAAMLTVGWHLW-UHFFFAOYSA-N 443.504 1.219 30 10 IDEE CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1294077174 OGNALLKZGSNXGI-QQMHEVNUSA-N 439.520 1.815 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC3CCN([C@@H]4CCOC4=O)CC3)ccc2c1=O 1295430834 VYJDWHKWTABNHJ-QGZVFWFLSA-N 428.514 1.381 30 10 IDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1=O 1300155150 GQIGXMHADQGZFI-FYYLOGMGSA-N 437.588 1.972 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300267751 JPVQSTHGJSXMCP-GOEBONIOSA-N 444.502 1.918 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1300455466 KDYSKCVOPKASBO-QGZVFWFLSA-N 433.516 1.520 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccc(C)cc1 1300464446 FJSCMKZEJLKTHO-HKUYNNGSSA-N 431.562 1.793 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1300496924 WLCVFYQWXKBWCK-NVXWUHKLSA-N 449.602 1.670 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1300509531 OHFUJKQVSUEGCT-OAHLLOKOSA-N 449.964 1.866 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCO2)n1 1300681529 SQMRIWDWWFJHHM-QUCCMNQESA-N 428.537 1.834 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CC(OC(C)(C)C)C2)CC1 1300698604 VYDQDKUVKDGROY-CTWPCTMYSA-N 428.581 1.968 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300983252 GAFJCSJKRDCZMS-IBGZPJMESA-N 441.580 1.999 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301481390 LGAPGUPLXGPPPA-GJZGRUSLSA-N 430.484 1.561 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301484939 OYSUTKNWWZINGZ-LJQANCHMSA-N 435.532 1.277 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C2CC2)C1 1301567742 LCRGHFRMZGPDEC-INIZCTEOSA-N 430.534 1.763 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301654339 ZMFPHZZUMWZDHM-NRFANRHFSA-N 445.545 1.780 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1302028051 LLUBZRIMZNMGKY-CRAIPNDOSA-N 443.545 1.801 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1303228740 PVFROXCQFVWHGO-OVGZCAFISA-N 444.536 1.560 30 10 IDEE COC(=O)[C@@]1(N2CCN(CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)CCOC1 1307944008 FCAFLFWSXZEKSL-HSZRJFAPSA-N 428.533 1.500 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1308163458 LTKCNAVAHUBPHV-KSSFIOAISA-N 443.447 1.758 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1314520196 AMKBPAXNQQAIAX-YWZLYKJASA-N 433.534 1.228 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314911937 NHGCHVCQXHIXHL-ZZEZOPTASA-N 434.504 1.940 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CCOCCCO)c1 1316528311 BYDBJYPWLSCZKS-FQEVSTJZSA-N 438.532 1.807 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1358930595 YNDNRWJLECEIFD-IERDGZPVSA-N 432.521 1.831 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1358978499 OIKAFLWDURWNLO-SJORKVTESA-N 449.577 1.556 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCC(C)CC1 1359240159 HJVRGOIVIVCFPV-MSOLQXFVSA-N 440.614 1.354 30 10 IDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1359283255 FVOBRLZYAGUGRR-MRXNPFEDSA-N 429.550 1.956 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C2CCCC2)CC1 1359291581 WFEAJUBFJDGSJS-UHFFFAOYSA-N 445.612 1.953 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 1359298897 OVHAOAKVXLZASK-ZBFHGGJFSA-N 444.923 1.843 30 10 IDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1359346921 ZOPQHSISHBUUJO-UZLBHIALSA-N 437.566 1.879 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)CCOC1 1360339384 TVFRLACNYJQADG-CEXWTWQISA-N 425.530 1.629 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C(=O)C1 1438366470 OHLUAGPTPPBHQS-UHFFFAOYSA-N 442.516 1.759 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)c2)C[C@H](C)O1 1439728138 UQLKZYCLWRQNJS-IRXDYDNUSA-N 448.541 1.962 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 1450322647 FAJZSTPIXASBAU-HXUWFJFHSA-N 433.574 1.973 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 1463329442 DCXSPUJSQMNJLY-CQSZACIVSA-N 436.538 1.055 30 10 IDEE C=C(CN(C)C)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1466954851 OVFQNOHUZRPJLK-UHFFFAOYSA-N 433.368 1.949 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-n3cnnc3O)c2C)s1 1468678900 RZZVOUGTUDLTHY-UHFFFAOYSA-N 433.515 1.988 30 10 IDEE C=CCOc1ccc(Br)cc1NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1468866589 FHICOTMKPNWXTO-UHFFFAOYSA-N 442.291 1.821 30 10 IDEE N#C[C@]12CN(C(=O)NCCNC(c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1471557878 FPDDUOPPENMCPW-NZQKXSOJSA-N 438.553 1.945 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1496839951 FMVKGFZJXQLOBS-OAQYLSRUSA-N 433.532 1.945 30 10 IDEE CCCN1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1500917799 LCPXHBIWVPNOKY-HXUWFJFHSA-N 442.612 1.715 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)nc2)C[C@H]1O 1503883323 ZBKIKAVMFUXZPV-WOJBJXKFSA-N 432.484 1.929 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(OC)cc(OC)cc1OC 1507617525 VFQMQRNNMOJRCG-OAHLLOKOSA-N 448.545 1.518 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1507782880 BHEPSEWWXUKAGE-OAHLLOKOSA-N 441.374 1.686 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1507863453 GJVREFDXFXQPOV-HNNXBMFYSA-N 446.943 1.887 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1508094405 XRQIDEGLHGXEJF-IAGOWNOFSA-N 432.569 1.463 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508135826 BEEWMBSMUXWWPL-INIZCTEOSA-N 434.566 1.615 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCCO1 1508143732 NCFNHCJUHSYBFG-GOSISDBHSA-N 436.582 1.746 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1508709267 IVNNCXCBRVZMAS-CLCXKQKWSA-N 442.561 1.578 30 10 IDEE CC(C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1508877010 HOPUJOUFYMLZTJ-KXBFYZLASA-N 440.545 1.489 30 10 IDEE CCCCN(CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1514444682 LSUBUUUYYDQCFP-HTXNQAPBSA-N 429.525 1.667 30 10 IDEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1516157745 ZKBIKKJIJSIVKT-JPYJTQIMSA-N 427.501 1.896 30 10 IDEE CN(C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1517025398 CXZBMIBNGCXPMD-LJQANCHMSA-N 446.577 1.266 30 10 IDEE CN(CCC1CC1)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1517281194 KKKVBYAHNJADOD-VXPUYCOJSA-N 427.509 1.163 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CCN1S(C)(=O)=O 1520761914 WACITLLTJHYZHB-INIZCTEOSA-N 442.545 1.634 30 10 IDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539185940 MHIMSIJMGGUKPN-UHFFFAOYSA-N 430.560 1.919 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@@H]1CCOC1 1539363706 ULQKPTFXBMJZIV-QGZVFWFLSA-N 446.577 1.893 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1539445785 GGAXZUAJIJWQPD-AVRDEDQJSA-N 426.521 1.102 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2ccco2)CC1 1539481799 FTFKHJPIJUNDAT-UHFFFAOYSA-N 426.521 1.465 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1539614505 ADEQHOYYRSRIMN-VQHPVUNQSA-N 427.571 1.485 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2C)nc1 1540072138 JKRYKCCEDILKLR-KRWDZBQOSA-N 427.534 1.740 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCc1cnccn1 1540869704 UVBVFPFLUCDMIT-UHFFFAOYSA-N 445.487 1.365 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1541116127 JZPCLLMMAOGLPT-ZNMIVQPWSA-N 440.570 1.689 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1541513705 CTUFXXNZKUMVSP-UHFFFAOYSA-N 425.537 1.889 30 10 IDEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1544249246 DEBZQVZICZJXTR-SBUREZEXSA-N 437.548 1.915 30 10 IDEE CNC(=O)[C@@H]1CN(C(=O)Cc2ccncc2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367665 DGXJHNCGGIEXOG-SFHVURJKSA-N 431.418 1.978 30 10 IDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555793915 CWUFYCGAKUZLML-UHHPSXQGSA-N 448.549 1.085 30 10 IDEE CN(C)CCCOc1cnccc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1556856927 DLHSWGQTXYWBJL-UHFFFAOYSA-N 434.493 1.778 30 10 IDEE N#Cc1cn(CCC(=O)NCCc2c[nH]c3cccc(Br)c23)c(=O)nc1O 1556895771 FRNWJCIDOJUMIO-UHFFFAOYSA-N 430.262 1.813 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)s1 1557035677 MGWTYJKDGGWTNK-DLBZAZTESA-N 433.555 1.482 30 10 IDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)c1 1565222692 FCXGPEBEGAIFJA-QFIPXVFZSA-N 434.544 1.994 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)c1 1565602143 PLSUNWFVPYHFTM-UHFFFAOYSA-N 445.585 1.690 30 10 IDEE CC(=O)N[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1cccc(Br)c1 1565629840 JWWUJSGPQXGKGF-ZMMDAZFZSA-N 435.278 1.269 30 10 IDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1583847592 AIFWUGBWIUFXKJ-LJQANCHMSA-N 442.545 1.411 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1587705563 GGBWGNFJUFJQNA-HNNXBMFYSA-N 445.611 1.095 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1587856818 SFDODSLFVPTCPJ-MJGOQNOKSA-N 449.621 1.971 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1588050844 VZGOARZZJBPQIU-KRWDZBQOSA-N 435.575 1.082 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588054631 OWSLCXRTGKPOGK-RBUKOAKNSA-N 429.546 1.784 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588064782 PDTYSCKNUZKDDW-RTBURBONSA-N 431.562 1.562 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1588128507 MUYIGZGNKCPTRT-QFIPXVFZSA-N 446.555 1.825 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1588228380 FDJUJFXQZGHWIC-XLIONFOSSA-N 435.619 1.080 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588871379 BGOOVXKULQCESK-IBGZPJMESA-N 440.523 1.666 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)N(C)C)CC1 1588908273 MPOSNBDASMUIRM-OAHLLOKOSA-N 429.956 1.909 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1589048260 ZYZBJNFOFQMDBW-QGZVFWFLSA-N 429.594 1.676 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1593777053 ULTMJSLFRBDTGG-OZIGNCPNSA-N 436.553 1.979 30 10 IDEE C=CCn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1595452993 HNQDMCFUPXBSPH-QFIPXVFZSA-N 434.585 1.497 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C)C(=O)C1 1595475838 GRSZTQNQATXBIX-AWEZNQCLSA-N 432.912 1.652 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCSC1 1595506694 JPBHOMYSJLOSSC-MRXNPFEDSA-N 425.522 1.165 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OCC)C1 1595722985 PNWOSGACHSUCLQ-ZWKOTPCHSA-N 447.561 1.804 30 10 IDEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)O2)CO1 1598098376 VNWCFDUTZSMGOD-AQHYUZTGSA-N 426.473 1.606 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1618543539 CZEAOTIRPRKCHI-VQIMIIECSA-N 437.548 1.894 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](c3nnc(N)o3)C2)CC1 1620460361 PYCMDGJEMDGOSH-FUHWJXTLSA-N 427.484 1.379 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)[C@H](C#N)C1 1621714830 FLHGHDVOOIWCJB-CYBMUJFWSA-N 426.470 1.075 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)C1=O 1623718209 GWNLIMGNFDPPHI-OAHLLOKOSA-N 436.509 1.601 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1628849758 NTIGDEYMSSCDGQ-IAQYHMDHSA-N 439.386 1.894 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)C[C@@H](C)O1 1629865571 YKGJMISTGOMTMF-GASCZTMLSA-N 431.518 1.151 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccc(C#N)cc3)CS(=O)(=O)[C@@H]2C1 1634135936 JXWKFUAHHAEIBZ-KZNAEPCWSA-N 433.530 1.845 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)n1 1634601598 QDBLOQAPGPUUTD-UHFFFAOYSA-N 449.380 1.950 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 1635759057 RLSHQLTWWKGVAE-UHFFFAOYSA-N 427.910 1.992 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)C2)C1 1638187724 BEMMTFSQZQITJF-DQLYFJKKSA-N 425.551 1.714 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](CO)C1 1640800627 CIBIUPXOOHNMDH-SJORKVTESA-N 432.496 1.964 30 10 IDEE CN(CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)S(C)(=O)=O 1641346299 LYVINJFUGXPPLX-XAUUPUKJSA-N 428.555 1.171 30 10 IDEE CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1646133097 PHCCJAAKWRTQMH-DLBZAZTESA-N 425.489 1.669 30 10 IDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1650672488 LXSYOJBDLADEPP-RTBURBONSA-N 426.517 1.905 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3c(cccc3C(=O)OC)C2)c1 1652977664 AGJFORHRHQFWBH-UHFFFAOYSA-N 430.482 1.972 30 10 IDEE C=CCCn1cc(CN2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)nn1 1665281273 IPDTULJCJVIGLZ-UHFFFAOYSA-N 433.557 1.645 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1672020984 WHDVZCWBSOWPEH-AZUAARDMSA-N 433.578 1.540 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1689914044 ZFWSDVRYVWGOQN-FOIQADDNSA-N 435.525 1.539 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689973855 STNFICRFEHYHDP-NRFANRHFSA-N 449.559 1.741 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1689990384 NUXWJOHAJMYBNE-MOPGFXCFSA-N 444.557 1.796 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1689992959 RRGPPWVKMMQMRQ-AWEZNQCLSA-N 427.452 1.929 30 10 IDEE C#CCN(c1nnc(COCC)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1689995810 AIVOEMQAFXXMMD-KRWDZBQOSA-N 449.508 1.219 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1690015458 NBWKYXUVEBSRHL-OAQYLSRUSA-N 426.546 1.516 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1690045268 HYIMWDRNASHZGD-LJQANCHMSA-N 432.484 1.697 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1690102300 HWDJURUZQQLHOG-SIKLNZKXSA-N 449.621 1.814 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC(C)CC2)CC1 1690122583 WFQCAOXJAZLPEL-FQEVSTJZSA-N 427.597 1.497 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690134782 FVBOAYAWUKKTDN-WMZOPIPTSA-N 430.553 1.055 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)N(C)C)CC1 1690150271 BCXDGQQANZGKLT-GOSISDBHSA-N 448.575 1.433 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690662653 CAXDYPYPZPTNGK-QVKFZJNVSA-N 442.476 1.540 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690662656 CAXDYPYPZPTNGK-VFNWGFHPSA-N 442.476 1.540 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccs2)CC1 1690678439 WFMFRRALGVLKGI-LPHOPBHVSA-N 446.577 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1690722707 SHERVFPFANULMJ-HNNXBMFYSA-N 433.494 1.143 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1695769123 LBTYUOWZBXZZJG-FQEVSTJZSA-N 430.534 1.166 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)cc1 1697493083 GGHJJHAWCWYUIQ-WOJBJXKFSA-N 426.521 1.935 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1705542052 XGEDSXOARJJUGA-HNNXBMFYSA-N 427.534 1.407 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705566349 MSXBZVXXFMZXNA-RTBURBONSA-N 435.594 1.632 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)no1 1705595702 CLCXKEMXURGNBS-UHFFFAOYSA-N 427.468 2.000 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1 1705607043 OENCDRQMLSBKED-UHFFFAOYSA-N 433.490 1.253 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC[C@H]2C)CC1 1705634829 JZWKPJUAMPSSTK-VIZSFHNOSA-N 431.581 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(C)[C@@H](C)CC)CC1 1705650188 NPKMHJWNHARIIH-IBGZPJMESA-N 437.592 1.960 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1705717472 KWQLGVNZUDRNRX-SFHVURJKSA-N 431.562 1.991 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705729455 YNHLSQJMWRAGQR-IBGZPJMESA-N 434.585 1.558 30 10 IDEE C=CCCOCCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705833019 QYAOPNPPUCWUBK-YESZJQIVSA-N 448.568 1.953 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1N1CCOCC1 1705843784 NPKZWWJJIVYWTD-LJQANCHMSA-N 445.589 1.996 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705899624 ANVNJBKSAGJZSR-HDICACEKSA-N 442.564 1.801 30 10 IDEE C=CCNC(=O)Cn1c(N2CCOC[C@H](C3CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908594 DYFXOWXPDMCQJX-XXBNENTESA-N 447.580 1.874 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1706673396 HACVFCJRFHQLEL-QVKFZJNVSA-N 428.493 1.533 30 10 IDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1709908729 FBALULDQYWVPQF-UHFFFAOYSA-N 434.504 1.676 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CCC1 1711203828 OBJJDPNTBOXFPQ-LJAQVGFWSA-N 449.602 1.989 30 10 IDEE Cn1cc([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)cn1 1711252929 DJEYSSMSVOESEJ-QGZVFWFLSA-N 425.518 1.589 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCN(c2ccccc2)CC1 1722288643 DIGGGKHNGVYIMB-SFHVURJKSA-N 432.532 1.485 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722324238 NPUUKWGJVYHLEB-WBVHZDCISA-N 436.582 1.044 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1722346512 RRCGBTNVQYOCDJ-LJQANCHMSA-N 434.338 1.852 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCN2CC)CC1 1722440445 GYFREUPHLPSGED-HBMCJLEFSA-N 430.597 1.632 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722701737 BOBZJHCPKQGXGX-GOSISDBHSA-N 442.495 1.420 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)C1 1722710822 OSAASHKIOIMZSO-ZFWWWQNUSA-N 441.504 1.996 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1727193743 PGRRZIJJUOEPJJ-FKQWUUPDSA-N 443.552 1.958 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1729231190 HEOKXQCFYHTYCU-AFJIDDCJSA-N 447.586 1.600 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1731179225 BFEOMGGOBKDAKD-IERDGZPVSA-N 425.468 1.378 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1740646370 XDELETRHCOFCNE-MRXNPFEDSA-N 439.607 1.263 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN(C)C(=O)OC(C)(C)C 1740658573 NUWMRRIETYGCMV-UHFFFAOYSA-N 428.537 1.730 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@H]1C 1740676548 GQKPSIRRSPPHFB-VPKVUBIPSA-N 427.480 1.548 30 10 IDEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 1740824014 SGTMKEXHARAJQU-UHFFFAOYSA-N 443.533 1.690 30 10 IDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740883951 KVPIOOCRSNWPHV-UHFFFAOYSA-N 446.515 1.996 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1741003528 WJFNDIRTURAXTM-MRXNPFEDSA-N 427.596 1.158 30 10 IDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1741306551 VAUFPRFXFIZBHF-VGOFRKELSA-N 438.536 1.229 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OCC)CCOC1 1748764776 VPOATINVUARBMK-QFIPXVFZSA-N 427.505 1.899 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1748809113 QHCPSFXRQYXLLY-HXUWFJFHSA-N 449.540 1.649 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1748859350 SFNQCJPAMACYEP-GOSISDBHSA-N 444.536 1.186 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CCOC 1748912757 IDUPVSLLJIUAKO-OAQYLSRUSA-N 448.593 1.794 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1748925973 PQDCJFFLNPFJKX-OAHLLOKOSA-N 446.520 1.471 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCN1CCOCC1 1748941113 XPSSKYGIVJEPLN-UHFFFAOYSA-N 442.539 1.918 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2=CCCOC2)CC1 1749001467 SHTSKBLZVOUJPX-UHFFFAOYSA-N 449.515 1.238 30 10 IDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749219239 AVFPCBOFKMDCBR-LJQANCHMSA-N 444.561 1.927 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCCS2)CC1 1749302980 CHYLJKNMUYSIBA-JKSUJKDBSA-N 427.596 1.663 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC1 1749342657 KZAFTIZQPJVQCX-SFHVURJKSA-N 437.610 1.693 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749408154 GDNSZMXTYVRTEB-UHFFFAOYSA-N 438.598 1.779 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1749597365 DICOPIPTKGULNP-KSZLIROESA-N 434.585 1.756 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749659510 FYUCFLNEYHFZQJ-KRWDZBQOSA-N 426.521 1.608 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCN2CCCS2(=O)=O)CCO1 1750386110 HGTUSBJYSMRCFG-CQSZACIVSA-N 436.925 1.363 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1760110809 HLRZWINRNFKCEZ-OAHLLOKOSA-N 435.532 1.812 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCOCC2)cc1 1760118051 XJQDEMWMDQEPQJ-HKUYNNGSSA-N 443.573 1.523 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCc2ccccc2C1 1760248852 RSUQJBUSQMEANH-NRFANRHFSA-N 436.560 1.764 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760279030 OTRISVRPPVYOMN-SFHVURJKSA-N 437.577 1.940 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760313781 QFADFRZUPOYQKP-BDXSIMOUSA-N 430.553 1.360 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCCC(C)C)CC1 1760389985 YHRBCTJDBTUSCR-GOSISDBHSA-N 441.598 1.830 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(O)cc1 1760494941 ANCFGLGXHXADCO-SFHVURJKSA-N 433.534 1.543 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C(=O)NC 1760519852 RRNCWDHRMCXMQJ-CYBMUJFWSA-N 449.353 1.828 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760524136 PXLMEBGOVABOMJ-ZWKOTPCHSA-N 429.525 1.232 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1761368088 KNKUTSJTFZTGEX-MYXCPXAOSA-N 441.467 1.311 30 10 IDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C 1763072400 ALOXHSRZGPPMCU-UHFFFAOYSA-N 445.593 1.316 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1764187009 BCNRGWNWKNUXGO-QGZVFWFLSA-N 426.525 1.435 30 10 IDEE CCCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC#N 1764560773 CXRGGAXKCTUPJB-AWEZNQCLSA-N 446.581 1.811 30 10 IDEE CCOCc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767828829 LYDQOJZBAFVWIY-HCKAZOGZSA-N 430.509 1.204 30 10 IDEE CO[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769059330 DFCYDVWGJBOCKN-SKOAFDGASA-N 430.509 1.314 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)C1 1769170557 CDRSSTGPBYLCHQ-ZHRRBRCNSA-N 426.521 1.974 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1769882202 QYVKOQOQHQWDAB-VLIAUNLRSA-N 430.896 1.814 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCC1 1770040190 BEMAYVGSGHTVRK-KRWDZBQOSA-N 441.536 1.510 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1770159361 JAGXVKGOTUKNCJ-OAQYLSRUSA-N 445.545 1.495 30 10 IDEE COCCOC1(Cn2c(N3CCN(C4CC4)[C@H](C#N)C3)nnc2C(C)(C)C)CCOCC1 1771233044 NPUOHULUBJNOLY-LJQANCHMSA-N 446.596 1.964 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1771539173 PGZKEZMOXBELIE-OAGGEKHMSA-N 444.458 1.512 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1771539345 UTEPHSRWATWMIZ-GOSISDBHSA-N 438.513 1.572 30 10 IDEE O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)ON1C(=O)c2ccccc2C1=O 1772790284 AFVNVBQBLFSWMG-UHFFFAOYSA-N 446.437 1.271 30 10 IDEE CN(CC(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O)c1nc2ccccc2s1 1855003914 XVQBQIBMRAPTCX-MRXNPFEDSA-N 426.546 1.391 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1COc2ccccc21 1855960531 ZENYVOCJAVIGLG-QGZVFWFLSA-N 425.466 1.813 30 10 IDEE COc1cc(C)c(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858327307 QYDCYSYTBYVHJH-KRWDZBQOSA-N 449.554 1.925 30 10 IDEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870151438 WOVSWWDVKBJQMI-ZDUSSCGKSA-N 434.387 1.968 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(OC)c3[N+](=O)[O-])CC2)CC1 1891074536 TVFTWNUVISEIFW-UHFFFAOYSA-N 444.532 1.866 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1891574436 QZWYTCGHQXZPHA-NVXWUHKLSA-N 449.467 1.542 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)c([N+](=O)[O-])c1 1892114575 XUQGAYMFFBYIIB-UHFFFAOYSA-N 433.446 1.745 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 1985011514 OLFVZBIWLNSDCG-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE Cc1sc(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C#CCN)c1C 2237711014 AAGMCYAEHFGKNP-UHFFFAOYSA-N 445.566 1.733 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCCN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255545422 PYHFWUPFXZGPCZ-OAHLLOKOSA-N 436.314 1.945 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2255653981 QGGMSWDCHUKHLH-AWEZNQCLSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CC1 2255697061 CVRYJJQQXJXIQK-OAHLLOKOSA-N 432.330 1.809 30 10 IDEE Cn1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830971 NZMZHRGXTACDJO-OAHLLOKOSA-N 434.346 1.752 30 10 IDEE Cc1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ncc1B1OC(C)(C)C(C)(C)O1 2256616566 CDEVVRSHFPIATL-TZMCWYRMSA-N 436.318 1.297 30 10 IDEE Cc1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2267707663 VHGHTPGJPLUZJL-UHFFFAOYSA-N 429.369 1.883 30 10 IDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269073111 GJUQZSPOCYGZSN-YOEHRIQHSA-N 443.309 1.508 30 10 IDEE O=C(O)CN(CC(=O)O)N=Cc1cc(Br)c(O)c(Br)c1O 2322985531 LBDFVKJBLZQCQV-UHFFFAOYSA-N 426.017 1.428 30 10 IDEE O=C(CSc1n[nH]c(N/N=C/c2cccc(O)c2)n1)Nc1ccc2c(c1)C(=O)NC2=O 20906586 AEUHUSNNXNDCMT-DNTJNYDQSA-N 437.441 1.571 30 10 IDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)cc4)CC3)ccc21 65075745 SZNOOWIGYDIASF-UHFFFAOYSA-N 426.454 1.150 30 10 IDEE CO[C@H]1C(=O)N(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1c1ccncc1 169787832 DUIJISXHLNBVNV-VQTJNVASSA-N 426.498 1.705 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ccccc2I)CCO1 410144394 WIGJNKGXGJUUNH-WFASDCNBSA-N 447.298 1.897 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br 432934847 ARWAAXXBEODOHQ-UHFFFAOYSA-N 430.305 1.447 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1Br 433860451 TTYVZGCVORZNFO-OAHLLOKOSA-N 428.308 1.379 30 10 IDEE COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)ccc1C#N 460609292 VBFKUKMTQUGUSS-QGZVFWFLSA-N 431.518 1.624 30 10 IDEE COc1cc(CNC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)ccc1C#N 462481394 XGPWBXNLTJXIGJ-UHFFFAOYSA-N 439.491 1.963 30 10 IDEE Cc1cccc2c1OC[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2 462633606 UVZWOJCFZIEWJG-IBGZPJMESA-N 440.525 1.886 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2ccc(OC)cc2OC)cc1 474700295 CDKXLXZVTCMNEL-LJQANCHMSA-N 448.497 1.812 30 10 IDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1=O 482527301 DCGHXWWXLHXMNZ-FCHUYYIVSA-N 437.588 1.994 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@H](COc4ccccc4)C3)n2)cc1 484465250 ZLHFOMYDKFXHKR-HXUWFJFHSA-N 446.467 1.443 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 492353263 GMQVTMFLTVVPSI-SFHVURJKSA-N 448.589 1.167 30 10 IDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccccc2)c1=O 526036051 IFOZPZDJLDPONF-UHFFFAOYSA-N 433.537 1.517 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 533351856 UCCHPWMHVSYWAH-AWEZNQCLSA-N 436.497 1.781 30 10 IDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)c1C 534194432 FGRUJGVCMDCUCV-UHFFFAOYSA-N 435.488 1.316 30 10 IDEE CCc1ccccc1-n1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544636252 WTXPSPMARANGNB-UHFFFAOYSA-N 448.504 1.927 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@@H]2CCC(=O)NC23CCC3)CC1 555131832 CMKDSVZRRVAMCG-QGZVFWFLSA-N 438.488 1.246 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1-c1ccccc1C 611222447 SSQVGRLVODJMJV-UHFFFAOYSA-N 444.438 1.870 30 10 IDEE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCO)c1 703981035 NOPHXKJERRSSCE-INIZCTEOSA-N 426.494 1.697 30 10 IDEE CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669760 BAAZFGIOJYADNM-UHFFFAOYSA-N 439.541 1.012 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2cnn(CCC)c2)c1=O 735069263 QVHBKFVCXQRYTJ-LPHOPBHVSA-N 439.585 1.900 30 10 IDEE CCOC(=O)[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742106678 XIHKSRANGSKOEI-GOSISDBHSA-N 443.525 1.968 30 10 IDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCC(c2ccccc2)=N1 769216103 GCKKFWOUYPWUTR-UHFFFAOYSA-N 426.454 1.016 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)n1 789037399 LWPHHLFFRZEXEQ-REWPJTCUSA-N 439.560 1.964 30 10 IDEE N#C[C@@H]1CN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCN1C1CC1 789308508 DMIYUFCYORGVRN-GHTZIAJQSA-N 443.523 1.225 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 793212994 XUHGDDDPLHCULG-UHFFFAOYSA-N 442.291 1.314 30 10 IDEE COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 802438280 DDIFWOXEORQYMX-HNNXBMFYSA-N 448.549 1.454 30 10 IDEE CON=Cc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 803416223 ZLAWSEIMBZZJJO-SFHVURJKSA-N 438.532 1.243 30 10 IDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1 803922966 FUCVYJJVUVYDQN-UHFFFAOYSA-N 431.445 1.867 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C)c2)c1=O 838648654 MNYALKGSPHXJAS-UHFFFAOYSA-N 445.504 1.353 30 10 IDEE COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916871518 WVQCKCXAHIYKLI-KRWDZBQOSA-N 441.937 1.602 30 10 IDEE Cc1nn(-c2ccccc2)c(C)c1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 917356941 VRIXQIBLVDIGIF-IBGZPJMESA-N 431.521 1.918 30 10 IDEE CC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N)c1ccccn1 1084025860 AREVLIAVPAGUCP-UHFFFAOYSA-N 440.489 1.725 30 10 IDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084591192 IRHGXGBBLVKTCC-UHFFFAOYSA-N 438.382 1.432 30 10 IDEE COc1cc(C=NNc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)c([N+](=O)[O-])cc1O 1084615350 QYKOZKDSOPXJGV-UHFFFAOYSA-N 448.421 1.900 30 10 IDEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1 1116556731 RXZUCSBMABQPFD-JENIJYKNSA-N 437.562 1.700 30 10 IDEE Cc1ccc(C(=O)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)NCC#N 1140905676 FSGPYQGEKXWHLE-CVEARBPZSA-N 440.525 1.893 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)s1 1154754238 UDKHTEFKQGKLLE-BIWSTMPVSA-N 442.559 1.372 30 10 IDEE Cc1nc(NC(=O)COc2cccc(Br)c2C#N)c(C(=O)NCCO)n1C 1156926123 KMFVAYWZPMAFRQ-UHFFFAOYSA-N 436.266 1.102 30 10 IDEE Cc1ccc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc1S(=O)(=O)NCC#N 1158288079 JPLOZOMVCPANRI-ZIFCJYIRSA-N 445.545 1.921 30 10 IDEE CC[C@](COC)(NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(=O)OC 1194913908 HGCINJDRKYZRFG-QMHKHESXSA-N 446.548 1.914 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2CC2CCOCC2)CC1 1198448762 BBDNKTQNEZEEBM-PMACEKPBSA-N 432.590 1.974 30 10 IDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1286385609 OIWBXLRWHKIPBY-RBUKOAKNSA-N 428.558 1.972 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1286393349 KJCSHHZIHMIPFY-MSOLQXFVSA-N 430.578 1.562 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1286488549 OMVLWMITRBVYGY-NLWGTHIKSA-N 447.580 1.519 30 10 IDEE Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)n1 1290002064 BIOKULHTWKILGZ-INIZCTEOSA-N 431.566 1.965 30 10 IDEE C=C[C@](C)(O)C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1293607557 WEXKZNDHYVCWPA-KRWDZBQOSA-N 431.352 1.304 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1295942107 HOMYYCCCDCNCKI-INIZCTEOSA-N 425.880 1.952 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1297813189 JHLXBDOZLCZBLF-MOMLNVMVSA-N 426.546 1.741 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298087333 KMZVTLIEPXOUFU-NRFANRHFSA-N 434.548 1.572 30 10 IDEE COc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC(=O)N2)cc(OC)c1OC 1299838260 ZOYIYVKAMAUQFF-DZGCQCFKSA-N 428.493 1.988 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC 1300328530 LFAADQITPWMQPI-GJZGRUSLSA-N 440.570 1.357 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1300365448 XEOVQHVHDXPBAG-QGZVFWFLSA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1CCN(C(=O)OC)CC1)[C@H]1CCS(=O)(=O)C1 1300481550 AJTWNQDKOHVRIY-KRWDZBQOSA-N 437.566 1.507 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300495984 MDYPEYFSQUROBN-NVXWUHKLSA-N 435.575 1.960 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1300509428 LHNBZIZVUUHOLC-IEBWSBKVSA-N 428.562 1.264 30 10 IDEE COc1ccccc1OC[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1300619523 ALNIJFZNLZJKKB-ZACQAIPSSA-N 440.504 1.682 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1300621506 MKROMHYGDFGWGX-QZTJIDSGSA-N 426.521 1.664 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1300762624 KSKXXVWRJIXTJM-DLBZAZTESA-N 442.607 1.178 30 10 IDEE COC[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300991758 KLFDWPBAJLHWHW-LZLYRXPVSA-N 426.525 1.789 30 10 IDEE C=CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCS(=O)(=O)NC)CC1 1301111773 DQYZVYVQZOHTFE-UHFFFAOYSA-N 443.371 1.987 30 10 IDEE COCc1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1301156154 BSVVCOLJFBSTNP-KRWDZBQOSA-N 428.468 1.463 30 10 IDEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1301335930 SQOGVMGTTSSNMW-FQEVSTJZSA-N 440.525 1.513 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)C1 1301544976 BVGWHUNGCCGGSQ-LJQANCHMSA-N 437.508 1.228 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1ccc(C)cc1 1301589620 UXLSJISXOLINKD-INIZCTEOSA-N 438.575 1.857 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC(=O)N1CCCCCC1 1304855534 DXYMRQMAELPUPO-QGZVFWFLSA-N 437.552 1.756 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1304902621 GDWYGJCPTAJDHM-NVXWUHKLSA-N 442.545 1.308 30 10 IDEE CN(CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1314861342 TXQAFBMEUZZWMY-QGZVFWFLSA-N 443.405 1.942 30 10 IDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1316239385 RJFYTPNLFBJINF-IBGZPJMESA-N 427.505 1.600 30 10 IDEE N#Cc1ccccc1N1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCO)CC1 1316533624 XWZYJCZSQVIGRH-IBGZPJMESA-N 437.548 1.980 30 10 IDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)c3ccccc3C#N)CC(=O)N2C(C)(C)C)cn1 1321088406 GNONWFXYIBJFSF-QAPCUYQASA-N 429.502 1.485 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)c1 1357761235 MIEUTNPCTZSPCP-WKSXIXGESA-N 445.538 1.745 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1358889343 ALOSAXAALZFJBV-OALUTQOASA-N 438.580 1.631 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358965487 WDSZKHRRTXYFFT-IEBWSBKVSA-N 446.573 1.787 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCC=CO2)CC1 1359041141 OHLKPPATQNWEAA-MJGOQNOKSA-N 431.537 1.661 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359048646 XTVIMNRTHCVSAS-SFHVURJKSA-N 447.605 1.902 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359077701 JGCBYUILUVPBMD-OLZOCXBDSA-N 437.360 1.534 30 10 IDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359230109 GKTAUJXDXCPCEA-GHDARCQNSA-N 436.553 1.979 30 10 IDEE Cc1cc(N2CC[C@H](NC(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2=O)n(C)n1 1445062875 RZXMXJHUPOMQSW-SFHVURJKSA-N 438.337 1.871 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 1449337777 QWFKPHRDDLWLLG-AWEZNQCLSA-N 440.465 1.036 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)COc2cccc(Br)c2C#N)cn1 1449502546 BTCYTWITJOAXNA-CQSZACIVSA-N 446.305 1.854 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCc3ccc(C#N)cn3)CS(=O)(=O)[C@H]2C1 1450773181 JPYMWAATSPCYRF-UAGQMJEPSA-N 434.518 1.240 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1462502905 PQTOHOOQTBWQAQ-MRXNPFEDSA-N 428.482 1.474 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1 1465910025 SPQXJFAXTYAXCA-KRWDZBQOSA-N 446.500 1.922 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1470188146 KUXFTQCBPHOWBC-AHIWAGSCSA-N 448.492 1.211 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)CC1 1475233903 UNRAJFAQGNTKGU-UHFFFAOYSA-N 437.525 1.879 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1 1504883886 GEEINHFQVOWENP-LJQANCHMSA-N 431.522 1.160 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCN2CCN(C(C)=O)CC2)c1 1507549879 APZPGMFNISJBEG-UHFFFAOYSA-N 437.548 1.061 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1507643055 QACUTHJYQPQJPH-SFHVURJKSA-N 440.573 1.019 30 10 IDEE C#CCSCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1507758978 WVAYRAURHHFMFL-DZFGPLHGSA-N 436.578 1.681 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CCOC)CCOC 1508059040 KTWBURLUISCBSV-INIZCTEOSA-N 425.530 1.872 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508087266 CCPUSTREEYYYPI-LJQANCHMSA-N 442.568 1.268 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H]1CC 1508145283 LFHBHFIKIUNFIY-XHSDSOJGSA-N 430.596 1.406 30 10 IDEE CC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)C1 1514065282 RLVYMWGUNIYIAH-CRAIPNDOSA-N 448.549 1.750 30 10 IDEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1517173150 IKQVOMQFECUJKC-INIZCTEOSA-N 436.501 1.898 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)C[C@H]1O 1517687190 ACMNGJGOIBNVKI-GUDVDZBRSA-N 425.489 1.602 30 10 IDEE C=CCn1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)nn1 1529543979 MKWPJMANEAMYSN-UHFFFAOYSA-N 428.312 1.164 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1 1539350215 DURRUVIUIDWTAO-OAQYLSRUSA-N 447.561 1.460 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1539429634 BSLJSLOLSNLUAN-IAGOWNOFSA-N 428.503 1.810 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(F)c2)CC1 1539480524 BAFNXYDDTSZWGB-GOSISDBHSA-N 441.507 1.944 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539484260 JFANNRUXLZCKAS-LJQANCHMSA-N 449.559 1.144 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539751015 FQAIJPZBFGPJCN-ZWKOTPCHSA-N 432.569 1.164 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 1539931486 LCENHYFGQYAGCJ-HKUYNNGSSA-N 435.569 1.899 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(COC)CC1 1540871175 GABJLCJCPKUTOT-LJQANCHMSA-N 427.505 1.956 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540874509 IUTMDQZGMGMUPP-MRXNPFEDSA-N 433.534 1.091 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540915817 OIDYFMXNJVIGMI-QZTJIDSGSA-N 445.593 1.867 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1548335265 OZHYHEPOAOWAEB-IYBDPMFKSA-N 432.550 1.760 30 10 IDEE COCCN(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1555520099 PMAKAHFLLBPLQV-SFHVURJKSA-N 429.481 1.550 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1555545009 ASFSUKQMHPOHBI-GOSISDBHSA-N 439.520 1.278 30 10 IDEE Cc1cnc(OC2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)nc1 1557291062 UOZMKEYBLLVHFX-UHFFFAOYSA-N 429.502 1.579 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@](C)(CO)Cc1ccc(Cl)cc1 1557997174 CIDNOTIOSDDUTH-XOBRGWDASA-N 435.933 1.988 30 10 IDEE CC1CCC(NC(=O)CN2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1559629979 AZQFNKMRIPMMKF-UHFFFAOYSA-N 436.556 1.599 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)cc1C 1587989760 OJQWJMPWEQKDTL-LJQANCHMSA-N 446.577 1.103 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1CCS(=O)(=O)CC1)[C@H]1CCS(=O)(=O)C1 1588030222 RDSGCBAVXZLFKP-WBVHZDCISA-N 442.607 1.243 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588451740 GZPGJXVXOSEQDX-KRWDZBQOSA-N 447.561 1.607 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC(=O)N1CCOCC1 1588613336 XHQYIECKXYYLFO-UHFFFAOYSA-N 434.500 1.438 30 10 IDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1588628874 PKPOLSVTRQIORI-UHFFFAOYSA-N 445.593 1.420 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1588695161 FCWVSUCPQBHVRB-KRWDZBQOSA-N 448.568 1.914 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NC(C)C)CC1 1588930321 SNBMCGMBZDBJKL-GOSISDBHSA-N 430.553 1.400 30 10 IDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594813720 XQNWMQWIHGZBFR-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595461251 RHTQQOHHFFLRQW-OWCLPIDISA-N 435.525 1.896 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)OC)CC1 1595555965 LHNAEZFGMKEXIH-UHFFFAOYSA-N 433.459 1.839 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2Cc3cccc(C#N)c3C2)cc1 1611562155 KUUATRBOKKMZRU-UHFFFAOYSA-N 443.525 1.998 30 10 IDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1618435668 BIFZJXQCZHKBOG-YJBOKZPZSA-N 441.433 1.989 30 10 IDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1618970674 GWAQYDDRLSEDAD-BHYGNILZSA-N 434.522 1.005 30 10 IDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1(C)C 1619534297 PTOIVWMOPCBPTM-MRXNPFEDSA-N 448.474 1.971 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1620042769 DFODHSDCIYSHSX-LJQANCHMSA-N 426.521 1.927 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CC2CCOCC2)ccc1F 1627333082 IDUSATCVLJOVIS-QGZVFWFLSA-N 426.510 1.948 30 10 IDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1628003611 NZLRGWJOOUSXBN-PKOBYXMFSA-N 433.530 1.807 30 10 IDEE COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1629333763 WZVCLKYITAODOB-AWEZNQCLSA-N 433.262 1.955 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)[C@@H](C#N)C1 1630719646 GHIKJAGORNMIQG-LBPRGKRZSA-N 444.460 1.215 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(CC(=O)OC)c2ccccn2)s1 1633618667 BWCDGFDXWIPGFB-LJQANCHMSA-N 437.543 1.745 30 10 IDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCc2c(sc(N)c2C#N)C1 1636719554 FWTRPICOAHCOKT-UHFFFAOYSA-N 428.518 1.360 30 10 IDEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639175632 VENKAOWCMRPLOE-VPWXQRGCSA-N 437.949 1.881 30 10 IDEE C=C1C[C@@H]2CC[C@H](C1)N2[C@@H](C)C(=O)N(CCOC)c1c(O)nc(=O)n(CCCC)c1N 1647828524 ODAAGOFXKAPGFT-YESZJQIVSA-N 433.553 1.882 30 10 IDEE COc1cc(C#N)ccc1OCC(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1647980020 OOPBFSZMZWWGRE-UHFFFAOYSA-N 429.498 1.999 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CC(=O)NCCC3=CCCCC3)CC2)o1 1648415602 LWDHJTIVHAPEHY-UHFFFAOYSA-N 428.537 1.442 30 10 IDEE C#CCC1(NCCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCOCC1 1660223981 LMQIQOPJQPXHHD-UHFFFAOYSA-N 449.573 1.433 30 10 IDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 1666229842 MRZDDYILCJRNGX-UHFFFAOYSA-N 438.365 1.944 30 10 IDEE C=CCSCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1681510318 LYMIBMRUUVGSHQ-UHFFFAOYSA-N 441.598 1.906 30 10 IDEE N#C[C@]12CN(C(=O)NC[C@@H]3CN(c4ccc(Cl)cc4)CCO3)C[C@H]1CS(=O)(=O)C2 1684025159 FRBWLBXKUKJDLS-POZUXBRTSA-N 438.937 1.125 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCN1CC 1689951182 NWGHOSLHSVWYMX-SFHVURJKSA-N 430.578 1.749 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988729 VHPYIMKEIVMORZ-GOSISDBHSA-N 445.593 1.481 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1690000260 XHNBEOQWDGUPQB-OAHLLOKOSA-N 441.513 1.764 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1690086235 WSOZVOKLMDHGHU-UHFFFAOYSA-N 428.512 1.620 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1690103239 BFQAQRYLISRKAX-RBUKOAKNSA-N 437.610 1.531 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690154680 WMMKSOZOWQVTPT-IBGZPJMESA-N 446.621 1.429 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NC)CC1 1690219886 NGVRROPZWJVTMZ-CYBMUJFWSA-N 431.335 1.372 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690299435 RBSXONWFJLAQHO-XMSQKQJNSA-N 433.553 1.881 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1690309593 FBKSDDICWPDPMH-KRWDZBQOSA-N 437.504 1.901 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1690464538 DRIVWSHUPNPBRD-CVEARBPZSA-N 429.612 1.909 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)OC(C)(C)C)C1 1690697222 QRQUCXXOMCOZLQ-HOTGVXAUSA-N 434.541 1.925 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CCCC2)CC1 1690722207 BBMJXZMJIGERRS-UHFFFAOYSA-N 432.594 1.949 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690731529 KTYWAUBAIMWZTO-MBOZVWFJSA-N 440.566 1.505 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690770853 UIWSGZTXDDGZTE-XUTLUUPISA-N 441.536 1.519 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C1CCCCC1 1698253932 GFFWLGQZRVUVKZ-HQRMLTQVSA-N 446.552 1.522 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)C1 1698297611 BAXHUJIDRNRFJN-SFHVURJKSA-N 446.602 1.489 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCC2)nc1 1705620927 LGKKOUJTJZNGBT-UHFFFAOYSA-N 425.537 1.546 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCOC[C@H]2C)CC1 1705640710 BMUMDZDQDUGOJS-LJQANCHMSA-N 426.540 1.484 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCSCC(C)C)CC1 1705647684 LAXVKJDDCXKEMH-GOSISDBHSA-N 446.621 1.974 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCOC2)C1 1705740033 ZNYKKLQVNNUFST-OAQYLSRUSA-N 447.561 1.858 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C(C)=O)CC2)C1 1705926525 GAAASQUEPQFRMD-NRFANRHFSA-N 439.564 1.209 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705942787 DJZQXUBBCSXZAE-MRXNPFEDSA-N 429.550 1.959 30 10 IDEE CC(=O)NCC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1706045139 IQOVFKCYHMBHOR-XUTLUUPISA-N 441.536 1.425 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CCO1 1706048288 AYLJXMBFNRGINL-FQEVSTJZSA-N 448.531 1.557 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCSC1 1706621332 PGUIQFIOFSSONP-MRXNPFEDSA-N 440.577 1.763 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC[C@H]1C 1712071190 IYQVHNCJPBEOFP-CRAIPNDOSA-N 432.550 1.617 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722294533 XHJUDJOYHFOLGC-VFNWGFHPSA-N 441.513 1.608 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1722366898 SVRTWMWUDPIHAB-FQEVSTJZSA-N 440.573 1.153 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722369198 ZLTRHBJWDAEVCH-PKOBYXMFSA-N 435.594 1.283 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1722384189 URDRMYKWSKPFIC-DLBZAZTESA-N 425.455 1.508 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCNC(C)=O)CC1 1722435969 TUFQWDZMTTZEQE-UHFFFAOYSA-N 426.521 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722449410 JEOJFPUQFKONMO-GOSISDBHSA-N 447.605 1.411 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1722501690 GSNDLMXTGWESMG-QAPCUYQASA-N 449.602 1.820 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C)C1CC1 1722651620 WGODDUFMNMDGEH-GOSISDBHSA-N 447.565 1.107 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC)[C@H](C)C1 1722695124 UAQUVBLXDICSSK-MRXNPFEDSA-N 428.537 1.795 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N2CCOCC2)C1 1722711131 APTVVSMTHZPDJN-GOSISDBHSA-N 426.521 1.679 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722728210 SCUPOWUVFKZVGC-UHFFFAOYSA-N 447.565 1.219 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C[C@H]1N1CCOCC1 1726725061 YQBQILWVTKWUPC-FXAWDEMLSA-N 440.548 1.657 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1729338393 AVMCYGBIKCACAD-SFHVURJKSA-N 425.537 1.487 30 10 IDEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740578436 IPTRUUHVRRKXEK-PGRDOPGGSA-N 430.553 1.678 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1740640334 KYGHFWUHVJAGDJ-LJQANCHMSA-N 442.541 1.593 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740685575 OFFFOEIYIFSYJR-SJORKVTESA-N 445.486 1.521 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(SC)CC2)CC1 1740698467 GRWRACOAZQUVGY-UHFFFAOYSA-N 430.603 1.920 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1740715535 BMJTXFAKIJJPIB-LBPRGKRZSA-N 439.467 1.831 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1740925844 OXYSXBCSPULHKD-IERDGZPVSA-N 431.562 1.901 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740954567 OUARJIGWUJGLES-OAHLLOKOSA-N 429.502 1.617 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2c[nH]nc2C)C1 1740982570 VDEMQYRNNUHSGT-ROUUACIJSA-N 434.566 1.626 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1746280465 WQDBDQGPJNSOCO-GOSISDBHSA-N 432.550 1.761 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1748863842 IXKHJPBLCKGVDS-QZTJIDSGSA-N 443.577 1.434 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(C)C)CC1 1749014948 QCIMTDXNXQFXDF-SFHVURJKSA-N 449.621 1.828 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1760187005 SHSYZPHMLSEXNA-NQIIRXRSSA-N 434.537 1.796 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760215063 NKUPIEIADGJLSV-UHFFFAOYSA-N 442.541 1.356 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCN(C)C)CC1 1760258337 LJOJBNVLMALKMD-UHFFFAOYSA-N 440.548 1.050 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1760290946 UXPQWRQABRVWGY-WMQCIHAUSA-N 436.578 1.747 30 10 IDEE C=C(Br)Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760314084 IVRQBPPPUYJFNA-CXAGYDPISA-N 428.331 1.539 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760520566 RYRDNRUUYWZZRK-INIZCTEOSA-N 441.536 1.993 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1760523389 WVEZDFATRRUFAS-UHFFFAOYSA-N 437.479 1.677 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1760541135 WEFPPSSEUTZTOG-IAGOWNOFSA-N 434.566 1.489 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760550680 GEVRXOLQOKADKT-HXUWFJFHSA-N 433.534 1.256 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1760554624 INTYQLQIXQFIPX-UHFFFAOYSA-N 437.953 1.449 30 10 IDEE CC(C)C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1760984575 CPDWKGKEMQYJAO-IRXDYDNUSA-N 445.593 1.975 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1C 1761806481 PETRZLFDAXZEJA-IIBYNOLFSA-N 425.468 1.868 30 10 IDEE CCCN1CCC[C@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1764491007 WLYGRMVIYQICDT-JQVVWYNYSA-N 432.569 1.922 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765389001 SCYSUGCITZWZFC-YGCDDZCOSA-N 441.536 1.567 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1766715941 ZPZMTAQAZIMAOQ-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1767278219 CXULUTGFXCPSID-AOMKIAJQSA-N 440.504 1.635 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc([C@H](C)O)cc2)CCOC1 1767481113 AQKIXGBMQFDEMU-DKZVUGQWSA-N 427.505 1.761 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@H]1O 1767919577 BAPZYDHASFIQAJ-IXDOHACOSA-N 447.442 1.601 30 10 IDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1769283633 AYJNNFMGGUCLMD-UHFFFAOYSA-N 425.537 1.941 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1771176353 QBBMJOHJGBLZER-GGTRLOLJSA-N 444.536 1.621 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 1771530241 FUNLJRTUDLCNAL-KUHUBIRLSA-N 437.472 1.873 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1772566386 QXYVDPFLXXBQGR-QGZVFWFLSA-N 439.476 1.609 30 10 IDEE Cn1cc(C#N)c2cc(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)N3CCOCC3)cnc21 1853298118 CYPVDBIGAOWWAW-IBGZPJMESA-N 433.468 1.977 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1853847171 FLPLCXIBTQLQSR-UHFFFAOYSA-N 427.482 1.478 30 10 IDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1C#N 1853938960 DHRPRPDSMLWOCQ-VQTJNVASSA-N 429.542 1.755 30 10 IDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C1=O)CC2 1856533029 GAYQPQHFYLDDNK-PKOBYXMFSA-N 429.542 1.994 30 10 IDEE CC(C)=CCCC(C)=CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856829185 KGCHWRLVSCHIOK-LJQANCHMSA-N 436.578 1.668 30 10 IDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2cn3ccsc3n2)C1)[C@H]1CCN(C)C1=O 1857042760 DZTWOTVDWGVZGJ-WBVHZDCISA-N 429.546 1.422 30 10 IDEE CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC#N)C1 1857332483 ZPPIUJDDEATYPR-KRWDZBQOSA-N 445.419 1.748 30 10 IDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560565 DKAVXQZYPDMDCL-UHFFFAOYSA-N 441.532 1.805 30 10 IDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCN(C)C)ncnc21 1875230483 BOKAPGWHWTZOTJ-UHFFFAOYSA-N 434.548 1.948 30 10 IDEE CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCC(COc2nccnc2C#N)CC1 1891431738 RTSVEWTZWSXSIK-IBGZPJMESA-N 425.464 1.852 30 10 IDEE CC#CCN(CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1900624467 KHEXEUZBRNLQFO-HZPDHXFCSA-N 425.526 1.591 30 10 IDEE COC(=O)[C@H](CC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1)NC(=O)OC(C)(C)C 2010405618 JWPZLZUXIRQMCK-AWEZNQCLSA-N 426.319 1.993 30 10 IDEE C=CCN(CC(=C)Br)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2060510468 MGCUBMJNVPVGEU-INIZCTEOSA-N 437.356 1.992 30 10 IDEE C#CCn1ncc(NC[C@@H]2CO[C@H](CNC(=O)OC(C)(C)C)C2)c(Br)c1=O 2162293092 HOWLGZWDRHLNEU-OLZOCXBDSA-N 441.326 1.981 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248404609 NPQDBVXYJNTPSX-UHFFFAOYSA-N 440.371 1.893 30 10 IDEE C[C@@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2248406250 WHSWAFGZIACKFP-NEPJUHHUSA-N 438.359 1.986 30 10 IDEE Cc1c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255630699 NTJCGGVWBQIXFG-KGLIPLIRSA-N 434.346 1.813 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2255657665 SIUOUULYBRAFPD-KBPBESRZSA-N 434.346 1.847 30 10 IDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255830113 AOXONTIRXHFEKF-QGZVFWFLSA-N 429.326 1.369 30 10 IDEE Cn1nc(C(=O)NCCC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255838154 BFEOGZYXZMUYPJ-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2255841828 IWFOVJOJIGIISE-HNNXBMFYSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266996629 PYZCWJBJUKJGPH-PBHICJAKSA-N 447.341 1.650 30 10 IDEE Cc1cnc(C(=O)N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267112858 MTBHVAZGAWVZQM-HZPDHXFCSA-N 447.341 1.711 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267585165 QXSGVKDCGQGFQR-VXGBXAGGSA-N 442.247 1.447 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267605996 RPELRRFTJYVAFW-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 22742104 ACXAVORGBMZQEK-UHFFFAOYSA-N 443.573 1.173 30 10 IDEE COC(=O)c1ccc(/C=c2/s/c(=C(/C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cc1 33741178 NSSFWEXRRQNSFL-CWNTWMSNSA-N 445.500 1.467 30 10 IDEE COc1c(O)c(O)cc(C)c1C(=O)O[C@@H]1CC2=C(COC(/C=C/C(=O)O)=C2)C(=O)[C@@]1(C)O 35466098 GJNBQACJJQJHGH-SRHZOHDMSA-N 446.408 1.516 30 10 IDEE biogenic C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)c1C 59829909 GVCFHHSGUNBXAQ-UFWORHAWSA-N 432.539 1.625 30 10 IDEE CC(C)OC[C@H](O)Cn1c(NN=C/C=C/c2ccccc2)nc2c1c(=O)nc(O)n2C 254500599 XUOAWTHXVZNDPI-FLCROHPWSA-N 426.477 1.733 30 10 IDEE C#CCn1c(=NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2cc(S(N)(=O)=O)ccc21 254573552 SIZNFSXVUQGLGZ-YOORKKOGSA-N 441.490 1.853 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@@H]1CCOC1 447789046 QMWGODVTGKJHSB-KRWDZBQOSA-N 448.548 1.860 30 10 IDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CCOC)C(=O)C1 460377332 SDMGHNUOHVMSOU-UHFFFAOYSA-N 437.504 1.855 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 482839881 VDFIUOSHILQXAR-ZFWWWQNUSA-N 434.468 1.898 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508730443 OZIIXALXMWZSJM-NRFANRHFSA-N 443.577 1.839 30 10 IDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1 510403075 FLNYYRXDXQSGMS-LLVKDONJSA-N 434.396 1.936 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 513091811 CXYMFTFELOKAQI-VGSWGCGISA-N 427.526 1.778 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)c1 514663457 XCEKFMILTLTCEG-UHFFFAOYSA-N 432.505 1.393 30 10 IDEE CC(C)N1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 517914241 JVARFKOGPQMKLH-SFHVURJKSA-N 433.578 1.695 30 10 IDEE CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 522167002 YCGJRATWNXYRGG-UHFFFAOYSA-N 432.468 1.774 30 10 IDEE Cc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1S(=O)(=O)NCC#N 540121385 ZYLXRLYHEHHRPO-QGZVFWFLSA-N 431.518 1.361 30 10 IDEE COc1cc(CNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)ccc1C#N 555121045 PEJMGGSMBHPKLH-HNNXBMFYSA-N 429.454 1.483 30 10 IDEE CNC(=O)CCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 555496197 ZJFRLVNYZNYULP-SFHVURJKSA-N 438.532 1.975 30 10 IDEE N#Cc1ccc(OC[C@H](O)CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 555574324 JVNYZHUONLBYOR-MRXNPFEDSA-N 437.543 1.170 30 10 IDEE N#Cc1ncn(CCN2C(=O)N[C@@H](Cc3c[nH]c4cccc(Br)c34)C2=O)n1 561051630 WZYFREHTJACXHO-ZDUSSCGKSA-N 428.250 1.557 30 10 IDEE CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586859901 MGIDDEXRVDERIQ-UHFFFAOYSA-N 438.459 1.697 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC1 611672778 JWBJGKHYBPYQOC-SFTDATJTSA-N 447.605 1.585 30 10 IDEE CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cccs1 616172712 YGFDVSBYIMGHMJ-KRWDZBQOSA-N 447.586 1.939 30 10 IDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CCOC 730250781 BSDDRHGUCCCKNY-CYBMUJFWSA-N 445.497 1.591 30 10 IDEE C#CCN(CC(=O)NCc1cccc(COCc2ccco2)c1)[C@@H]1CCS(=O)(=O)C1 731212473 ANTBLKSUZZMCSQ-HXUWFJFHSA-N 430.526 1.735 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 731974172 BDWJRRZLDPHTHB-HYXBTWRCSA-N 441.513 1.906 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3F)c2=O)cn1 735069598 XMWIFRPLSGHCGQ-UHFFFAOYSA-N 437.500 1.426 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)n(C2CCCC2)c1C 745050140 PPGHGDOOYQGZIZ-UHFFFAOYSA-N 429.477 1.904 30 10 IDEE COc1ccc(C(=O)NCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1[N+](=O)[O-] 749529277 GAIQFBWKQHOMRF-UHFFFAOYSA-N 437.456 1.990 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1)C2 758757823 HLSAVNOGWSJLFF-LXZJYRNTSA-N 446.596 1.698 30 10 IDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)cc1 763719487 ZGJQNDYYPCVGOA-JOCHJYFZSA-N 429.440 1.853 30 10 IDEE C#CCN(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 774050946 BPCSTTIVVNQQSO-CQSZACIVSA-N 434.909 1.847 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 784739714 PSASTKDFJSUPGM-PBHICJAKSA-N 441.513 1.211 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)n1 788814252 BBCGENOZXHPMRC-UHFFFAOYSA-N 447.513 1.127 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(CN3CCOCC3)CCCCC2)n1 789068887 IQMHYVLVMMTAKJ-UHFFFAOYSA-N 431.581 1.957 30 10 IDEE C[C@H](C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1)n1cnc(C#N)n1 798450733 QMJHFXQLPKPGGG-GFCCVEGCSA-N 439.448 1.024 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)CC1 810049649 YIHXFHBHQPYWMK-WIYYLYMNSA-N 434.378 1.972 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 916775250 NSVAGOWTSITBBJ-IBGZPJMESA-N 447.538 1.748 30 10 IDEE COC(=O)C[C@@](C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 1132504233 KAYZYGQKQXGRHU-OAQYLSRUSA-N 433.530 1.807 30 10 IDEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)C1CCOCC1 1148194125 ILDVXSICAVQDAX-QZTJIDSGSA-N 440.949 1.418 30 10 IDEE N#Cc1cn(CCNC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c(=O)nc1O 1167523525 HOHVTXVVQXPUPM-UHFFFAOYSA-N 433.403 1.366 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 1177602073 GDSQSTOWGZGMEU-FUHWJXTLSA-N 435.546 1.707 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1180032525 LWHLLGBABRWNGX-CRAIPNDOSA-N 429.498 1.516 30 10 IDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nn1 1214355226 WLCLTUKNBQCPJL-HUUCEWRRSA-N 434.522 1.584 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCNC(=O)C1CC1 1286437874 SKDKXVFFPNRZAP-UHFFFAOYSA-N 443.577 1.532 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)NCCC 1286460843 KOYBGRLRBLKBDQ-UHFFFAOYSA-N 426.496 1.706 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(CC)CCC(F)(F)F)CC1 1286480419 WEPJUQDGDCMQKZ-MRXNPFEDSA-N 441.502 1.259 30 10 IDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)CC1 1286542610 COVHHKLBUBKMBR-UHFFFAOYSA-N 449.357 1.369 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(C)C)CC1 1286646753 VVXATCYEDIGAOO-KRWDZBQOSA-N 427.571 1.583 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(Cl)ccn1 1286775095 ZSEIXTJVJIZDQA-HNNXBMFYSA-N 426.930 1.482 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286784875 WTCKXKGPEDJMDA-IBGZPJMESA-N 432.488 1.221 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1286792492 ZMTCGUYQBCZIEN-UHFFFAOYSA-N 442.495 1.405 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)cc1 1286814446 SFWPTKHPDBYESS-UHFFFAOYSA-N 435.525 1.890 30 10 IDEE CC(=O)NCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1286947163 VNDPYRCZRYFMKV-QGZVFWFLSA-N 445.911 1.116 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1298690668 SKGRRDSBFCOYDS-QVKFZJNVSA-N 435.480 1.270 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c(F)c1 1300208198 CPLBHGCAASZVMX-IFXJQAMLSA-N 437.472 1.818 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1300302593 CETZJOJLHPQMLM-LSDHHAIUSA-N 429.529 1.422 30 10 IDEE C#CCCCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1300424932 PIEGMSVRWAZQLY-QHCPKHFHSA-N 445.564 1.419 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300487869 MVCVVINPUYRFOI-DYESRHJHSA-N 429.546 1.782 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCCC2)CC1 1300731928 ISWLYIVTMQWZGL-UYAOXDASSA-N 428.581 1.827 30 10 IDEE C#CCSCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300778113 MOPPUSDCDRTCIA-NHCUHLMSSA-N 435.594 1.648 30 10 IDEE COC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301027065 QHQYWOZVKNSMNK-GOSISDBHSA-N 435.488 1.460 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(N(C)C)c2)C1 1301539745 WHSRPEOUHGWIRY-APWZRJJASA-N 448.593 1.784 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1302025885 TZTDUJMLWGREAH-CVEARBPZSA-N 428.493 1.716 30 10 IDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1302911041 ORAQJBHDZZYVPM-HNNXBMFYSA-N 432.550 1.760 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2SCc2ccc(F)cc2)CC1 1302921461 FJJDIABWWWSASA-UHFFFAOYSA-N 448.545 1.738 30 10 IDEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1303556808 DHFVBAUYWNJHQR-UHFFFAOYSA-N 437.504 1.762 30 10 IDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1304108897 AWUFREJOJMSSTK-HNNXBMFYSA-N 429.531 1.648 30 10 IDEE C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1305220821 FZRQBARZPVBLFV-YLJYHZDGSA-N 438.532 1.784 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1359048595 WJKWERROTRUXJJ-HNNXBMFYSA-N 437.533 1.762 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359051308 SFYXEVUREVSCJM-KRWDZBQOSA-N 441.517 1.776 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(C(C)=O)CC1 1359078078 RYGUOXJKLLSNMV-AWEZNQCLSA-N 430.347 1.969 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359291531 USSVUGAXBNETMN-CVEARBPZSA-N 426.525 1.147 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1359297985 IZBWYWVLBKDLGC-MRXNPFEDSA-N 435.532 1.796 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1359301130 SOTZSASAOZBCGH-QGZVFWFLSA-N 448.568 1.825 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359304128 NADMRMWRQIIRHZ-GOSISDBHSA-N 436.520 1.495 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCS(=O)(=O)C2)C1 1359311751 HKEQJKGELCDNIE-WBVHZDCISA-N 439.582 1.413 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCc2nccn2C1 1360667494 ZSDBCHCKYVRFSM-WBVHZDCISA-N 446.581 1.477 30 10 IDEE C#C[C@H]1COCCN1C(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1451195442 NLHRRHGWBCYYNX-IRXDYDNUSA-N 442.541 1.405 30 10 IDEE COc1cc(/C=C(\C(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc2)ccc1O 1453840755 FXNWUQBVVGSOLH-WQRHYEAKSA-N 432.436 1.892 30 10 IDEE C#CCN1CCC(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1455942949 JDKICJAMHQWCHF-XMMPIXPASA-N 444.535 1.714 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cnc3ccc(S(N)(=O)=O)cc3c2=O)c1 1459261606 HCEKXSHBSBSYLK-UHFFFAOYSA-N 439.497 1.608 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)CC1 1460748902 HIPPOIDSWURDMS-YCRNBWNJSA-N 433.597 1.868 30 10 IDEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1462105589 OOVASPSJSRSLGJ-QGZVFWFLSA-N 441.532 1.675 30 10 IDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCc2cc(F)c(C#N)c(F)c2)C1=O 1467382595 KESYGRBFFRYDRT-NRFANRHFSA-N 428.395 1.928 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1468032612 KCBSUWVYZHVGOS-MRXNPFEDSA-N 437.371 1.082 30 10 IDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1470027019 XDBPRODMQIQMEV-SFHVURJKSA-N 449.621 1.347 30 10 IDEE Cn1c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)nc2cc(S(N)(=O)=O)ccc21 1472930171 NZXSOMICNLUMHE-KRWDZBQOSA-N 427.511 1.990 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 1475667110 BCSIEXZEJHHNFA-LBPRGKRZSA-N 435.365 1.229 30 10 IDEE COCCOC1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 1478420428 WDHXFQGUNCFYQW-LJQANCHMSA-N 430.505 1.565 30 10 IDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCc2n[nH]c(C)n2)c2ccccc2c1=O 1502361491 HEBYFXLBVWDQCD-CQSZACIVSA-N 446.519 1.940 30 10 IDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CC1 1503379621 BWVYMQPIYRMBMY-WMZHIEFXSA-N 437.548 1.771 30 10 IDEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1503669690 DVEXMEGXHDWNOV-GOSISDBHSA-N 445.593 1.675 30 10 IDEE COC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1504584952 NVCIQZGKVUXFHW-GOSISDBHSA-N 434.504 1.595 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CCNC(=O)c2cc[nH]n2)cc1 1505314896 DCVSVOZAEMSVTI-UHFFFAOYSA-N 448.531 1.959 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507642650 YAJHKISPPVRRSY-LGVFNWMJSA-N 443.592 1.891 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1507653970 XZSWEOISYHTVFQ-UHFFFAOYSA-N 443.389 1.345 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNS(=O)(=O)CC)CC1 1507721242 MDHZZKINKRSYOL-UHFFFAOYSA-N 446.577 1.038 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1507750686 BUDVZCUXEKFXSG-ZWKOTPCHSA-N 438.619 1.942 30 10 IDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507881666 SUKAJIWPIXYXGH-RJCBAWPRSA-N 430.509 1.685 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1 1508005958 CTMIVCYWBLSFRH-RDTXWAMCSA-N 441.579 1.294 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1508073425 JSAHWNNUZRQJTA-XYJFISCASA-N 446.577 1.573 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508075048 VMESHZCZCLRJOU-QFIPXVFZSA-N 442.520 1.227 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C 1508094411 XSAKABVKXWNMNN-HZPDHXFCSA-N 434.541 1.877 30 10 IDEE Cc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)sc1C 1510419052 DSGWVAFGYNPVRT-LSDHHAIUSA-N 436.563 1.225 30 10 IDEE Cc1ccccc1-c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1511264364 OZWYUJOBHZUALB-YGCDDZCOSA-N 449.515 1.447 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1515971792 HHASWLINHRUPMU-SFTDATJTSA-N 436.532 1.923 30 10 IDEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1518751434 OYHSRJBYXNBXFK-UXHICEINSA-N 428.512 1.960 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1519513366 SLAMBLHQDOYVRI-IAGOWNOFSA-N 428.518 1.109 30 10 IDEE C#CC[C@]1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCCN1C(=O)OC(C)(C)C 1523980056 LKLSMGKEZXTZIF-OAQYLSRUSA-N 428.493 1.849 30 10 IDEE C#CC[C@@]1(C(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)CCCN1C(=O)OC(C)(C)C 1538244927 PVSHOBCMNDQCRR-QHCPKHFHSA-N 440.500 1.969 30 10 IDEE C#CCCCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1539141063 RYUMQSIXLZKVFI-NZQKXSOJSA-N 430.597 1.560 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539203984 XDBPYSWSNYALJV-HOTGVXAUSA-N 433.582 1.813 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539225632 PWFVSIHGJSMQMJ-IHPCNDPISA-N 443.573 1.563 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(C)=O)CC1 1539237682 IPLWZJHELHQXLN-QHCPKHFHSA-N 427.549 1.650 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539271720 IJMPNZOLRBYSAK-IBGZPJMESA-N 425.558 1.532 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1539300189 ROPSCEIGHATANY-QFIPXVFZSA-N 448.589 1.606 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCN(C)C1 1539401296 ZKRZTYBWHOHCTI-FQEVSTJZSA-N 448.365 1.860 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCOC)CC1 1539446109 QSALQXXEVFFPJB-UHFFFAOYSA-N 431.566 1.030 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539447955 ZQBLUJABRJYPOC-NHCUHLMSSA-N 430.597 1.284 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1539462000 QDPXKJHGVQZGLX-QHCPKHFHSA-N 438.532 1.099 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1540199290 YFXKMJHMMINGTN-MRXNPFEDSA-N 428.541 1.429 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 1540472114 DDOLLDKGPYGBIQ-IBGZPJMESA-N 448.545 1.974 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540863609 ZIMKTWUKQIEAMS-QZTJIDSGSA-N 431.585 1.227 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1540864895 OKGVPGZWNOTBJG-CYBMUJFWSA-N 434.447 1.516 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1540870978 AYZFYKUKGPZQFK-RDJZCZTQSA-N 447.561 1.688 30 10 IDEE CC1=C(C)C(=O)N(CCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 1541114158 COJKWJRNDPNEQZ-OQKWZONESA-N 432.502 1.533 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCOCC2)n1Cc1ccc(C#N)o1 1541207038 ZKZCAQLLIINRAE-QGZVFWFLSA-N 444.492 1.936 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(N)=O)c1 1541806298 IADIOSBDKJUPQU-OAHLLOKOSA-N 425.493 1.051 30 10 IDEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)cnn1C 1542093940 COUDWGUWLGYQAF-UHFFFAOYSA-N 448.535 1.100 30 10 IDEE CCOC(=O)C1=C(COCCNC(=O)CC#N)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1 1543951944 OFBPBORVVFYJKT-FQEVSTJZSA-N 441.484 1.684 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(c3nc(N)ns3)CC2)C1 1545346625 RNGRELMIXDHJJH-UHFFFAOYSA-N 448.350 1.539 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1547711776 IGMZVCXSNUVSMV-QAPCUYQASA-N 436.520 1.335 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C(C)C 1555106797 BCUSYQUBKKJUPS-INIZCTEOSA-N 428.493 1.367 30 10 IDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1555520331 QFFGQQKZFFDOBB-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(I)c(O)c3)C[C@H]1CS(=O)(=O)C2 1558643092 MDTSXILJUFLOIY-IINYFYTJSA-N 432.239 1.007 30 10 IDEE C#CC1(O)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 1558690990 FAAAFIXTUDZBLQ-CQSZACIVSA-N 437.370 1.600 30 10 IDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1558709664 FODXEEHHMMVGFO-JSGCOSHPSA-N 445.501 1.138 30 10 IDEE COCCO[C@H]1C[C@H](CO)CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1568425388 NBOVODBAQXXAMW-HKUYNNGSSA-N 433.354 1.780 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1570513363 FQHAMYDSGSYLFK-QGPMSJSTSA-N 448.545 1.693 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(C(=O)OCC)C(F)(F)F)ccc1F 1584883742 LYCLNGJUDKDHIC-OAHLLOKOSA-N 426.388 1.904 30 10 IDEE C#C[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F)C1CCOCC1 1585148572 CPLYFCRKIGSAFH-SJORKVTESA-N 428.551 1.770 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1587615268 SZGXQMZDBAVAQA-LYGNXSNRSA-N 425.537 1.463 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588044959 DJEWLSHGCOPSNR-SCTDSRPQSA-N 431.562 1.725 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOCC)CC1 1588907274 AJSTUUSRBVJPQS-UHFFFAOYSA-N 441.532 1.965 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)CCC)C1 1589068924 GCYNFJXOEDUTCK-MSOLQXFVSA-N 439.651 1.715 30 10 IDEE C#CCSCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1589124938 FNOQMPOUFKLDNU-LEWJYISDSA-N 433.578 1.544 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1594807684 WNRRCOIZQVNSPC-GOSISDBHSA-N 440.552 1.555 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N2CCN(CC)CC2)C1 1595722124 JBFRFBPMFXKPSD-PCCBWWKXSA-N 432.613 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1595805335 NJPPSYHEHFJNNR-OAHLLOKOSA-N 435.525 1.276 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595821679 CGNDHNITNAZWIY-QGZVFWFLSA-N 447.561 1.433 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595831850 XWMYNRAOZCGSNX-FRQCXROJSA-N 426.539 1.115 30 10 IDEE C=CCSCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1595905143 DUKLFWYYHITBPY-QFBILLFUSA-N 444.623 1.863 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCn1cnnn1 1609518985 GFNJMYRFUXJPNP-MSOLQXFVSA-N 434.508 1.237 30 10 IDEE CC[C@H](C)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1/N=CC=CC1=O 1613206385 GAUWWCSZIZOHII-RYIGFTFQSA-N 428.537 1.915 30 10 IDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1618521141 IAWFHGMVDYFACL-QGPMSJSTSA-N 435.908 1.437 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1619910327 FHCRMDVYDKXKIP-UHFFFAOYSA-N 448.329 1.704 30 10 IDEE COCCCS(=O)(=O)NCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1620057534 QFEJCFJZFGEDFF-UHFFFAOYSA-N 432.550 1.026 30 10 IDEE Cn1ccnc1[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 1623771507 UJIVXSOSINJINR-ZFWWWQNUSA-N 434.378 1.917 30 10 IDEE C#C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 1625161588 ZQGCCHWPMQCIPI-GOSISDBHSA-N 431.489 1.061 30 10 IDEE N#Cc1cn(CCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)nc1O 1628549841 BYGUXRAVJAXRGT-UHFFFAOYSA-N 444.923 1.193 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1B1OC(C)(C)C(C)(C)O1 1628739775 BNWYXTJVQMIIRR-NYHFZMIOSA-N 427.310 1.402 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1629506215 HKCCXGBODDISEE-JKSUJKDBSA-N 437.541 1.509 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)C1=O 1632219961 CAXQGCOKBBZEOX-UHFFFAOYSA-N 448.545 1.313 30 10 IDEE CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512625 NJKONBCYWHAYQF-AVBTWRTFSA-N 447.513 1.455 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 1639992060 NRFTWXGUNIJGBE-JOCHJYFZSA-N 445.520 1.647 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1644471604 CQNPODGFIQOQIQ-NUEKZKHPSA-N 434.518 1.241 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1647908872 AKNTZYHGPHDEKQ-STQMWFEESA-N 441.916 1.217 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN[C@@H](CO)[C@@H]1CCCOC1)CCCC2 1653886848 CPNZVPZVMBSICC-UWVAXJGDSA-N 430.549 1.733 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)C1 1656884234 UNPJKCVLBPJFJO-HNNXBMFYSA-N 448.010 1.746 30 10 IDEE N#Cc1ncn(CCNC(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)n1 1662652897 DPERYYJGYVHSJF-UHFFFAOYSA-N 438.261 1.710 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1681285770 TYTMFRDJHCDDCV-SJORKVTESA-N 437.518 1.207 30 10 IDEE CN1C(=O)CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1682183647 IXTDDYKHXFYJBZ-RNJXMRFFSA-N 437.287 1.946 30 10 IDEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682226321 GWNFYLGVUOSVKA-RTWAWAEBSA-N 439.560 1.944 30 10 IDEE C#C[C@H](NC(=O)NCC(=O)Nc1ccc(I)cc1)C1CCOCC1 1682489721 FWKIJZCJUUYMAT-HNNXBMFYSA-N 441.269 1.957 30 10 IDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cn1)C2 1683797919 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436.560 1.902 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690163390 DLOHLPRORNKVQQ-MRXNPFEDSA-N 443.529 1.970 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1690432838 MVDIMTAXROEXDU-DLBZAZTESA-N 441.598 1.829 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1690689481 FBDRGHYNRLOLCE-WIYYLYMNSA-N 443.529 1.148 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690726474 BKBJMCRDXHBOFG-RBUKOAKNSA-N 431.562 1.870 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690733607 JEHFIDHYDHAWEE-IBGZPJMESA-N 449.669 1.940 30 10 IDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690749067 PZHTVMUYFXNISI-QGZVFWFLSA-N 436.607 1.894 30 10 IDEE CCN1C[C@H](C)N(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1695827572 MOJHJZMKBNYADF-IAORGOLBSA-N 427.553 1.991 30 10 IDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1696495198 VGFKAAAZRLVCIC-UHFFFAOYSA-N 432.550 1.835 30 10 IDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)CN1CCOCC1 1696588165 GBLIAQGEDKBXQE-UHFFFAOYSA-N 439.564 1.700 30 10 IDEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1696767930 GLORFEMVSWQWTH-UHFFFAOYSA-N 438.532 1.962 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C[C@@H](C)O1 1697910157 GALDZRXAMCNYKV-VQIMIIECSA-N 427.505 1.884 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1705561845 WRMXPIZEAJEGKD-VQIMIIECSA-N 443.573 1.826 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705565392 ICHGRVBRZCIPGJ-IEBWSBKVSA-N 430.530 1.900 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1705570350 MFUGPMKASHOAJY-WFXMLNOXSA-N 436.578 1.441 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OC)CC1 1705633457 RHJBYIXSKCGMLX-KRWDZBQOSA-N 446.577 1.009 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCOC)CC1 1705634119 JYHFAVRTIBDEBH-HSZRJFAPSA-N 443.548 1.505 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(OC)cc2F)CC1 1705635430 YSAJQNLILCCXRI-HSZRJFAPSA-N 443.523 1.881 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705707733 QFRVDPLLUNRTJF-SXWKCWPCSA-N 447.580 1.968 30 10 IDEE CC[C@@H]1CCCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1709251244 CEPSMEXLUZXOPN-MBOZVWFJSA-N 438.573 1.887 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCNC(=O)OC(C)(C)C)cn1 1711251938 XOCGXPAFPOAPBZ-INIZCTEOSA-N 430.513 1.712 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCN1S(C)(=O)=O 1712522183 QDNXVIVCWPKOJH-DOTOQJQBSA-N 440.570 1.166 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722329223 GGNICYKAARYJQF-SFHVURJKSA-N 429.488 1.762 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722360540 UZOKFRZYNIJDNJ-LJQANCHMSA-N 435.513 1.225 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1722428286 DNAUQBMCTNOIHS-INIZCTEOSA-N 442.607 1.178 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(OC)CCOC2)CC1 1722434770 ZNDDSFNFLFBFKR-OAQYLSRUSA-N 426.477 1.414 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC[C@H](CO)O1 1727003069 JXWVDTXRLCOEMG-BPQIPLTHSA-N 442.568 1.572 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[S@@](=O)C(C)(C)C 1727602385 CQZVOZLMARNWMM-SSEXGKCCSA-N 432.598 1.628 30 10 IDEE CCOCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1ccc(C#N)o1 1728997268 RXNYNZBVLYUHOQ-CVEARBPZSA-N 430.509 1.695 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1729593142 RENNFFUVEXPMIH-BEFAXECRSA-N 445.321 1.915 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1740566443 HDQHMJHXHBBXIZ-DLBZAZTESA-N 432.550 1.745 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1740626263 WGVAENIDSKSMID-CEXWTWQISA-N 447.605 1.854 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@@H]2CO)CC1 1740696004 IZNUOBVFHUXFKU-LEWJYISDSA-N 430.597 1.164 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCCC)CC1 1740697321 AHAWALPSQRZCTJ-UHFFFAOYSA-N 426.521 1.244 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCSC2)CC1 1740706372 SQKBYWOIYTVSER-WBVHZDCISA-N 430.578 1.338 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740791705 APNUVZDTRCEION-SJORKVTESA-N 432.569 1.953 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740880912 QSLQSFFLPIWSDX-LPHOPBHVSA-N 429.525 1.555 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC(F)F)cc1 1740958115 INOGFBYIKRPUBH-HNNXBMFYSA-N 434.447 1.769 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1740960689 XXSDQPIXTVPYJP-HNNXBMFYSA-N 437.504 1.760 30 10 IDEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC(=O)N1 1747175550 MHQCRVJKEZYWEO-HXUWFJFHSA-N 437.548 1.677 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)CCCC)CC1 1749008616 FEBKINLPHCZQHM-UHFFFAOYSA-N 425.581 1.981 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1749033380 FCLDJLIYNWWAEY-INIZCTEOSA-N 426.550 1.467 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1749429389 LCTHKSGNGZICIM-HZPDHXFCSA-N 426.525 1.593 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CCO1 1750017974 ZXDGWYXJMANCNO-LJQANCHMSA-N 426.521 1.973 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1750913257 FMFAZVLHDCZIJY-UHFFFAOYSA-N 437.426 1.603 30 10 IDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CCCO1 1751302759 HEGXXXRTJNXUOC-FQEVSTJZSA-N 430.534 1.467 30 10 IDEE C[C@H]1C[C@@H](C)CN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1752010694 PXKGXGNBMAHXDC-HSALFYBXSA-N 443.596 1.887 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)NC(C)C)c1 1760126432 YNDQJGDMJLDPBC-UHFFFAOYSA-N 431.500 1.921 30 10 IDEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760134446 NFYQMBNAHLACCK-UHFFFAOYSA-N 437.483 1.223 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1760189000 FECIDIBVGRXSFF-GOSISDBHSA-N 426.502 1.235 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760189229 GRAZPADWMXYFCW-OALUTQOASA-N 443.573 1.706 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@@H](C)C1 1760208962 QDGDOJDVUHQGIH-FQEVSTJZSA-N 449.559 1.889 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1760215526 DHBPYQMGEBWYBW-UHFFFAOYSA-N 442.541 1.356 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1760216516 QLUIYVMQGDMBNP-SFHVURJKSA-N 428.496 2.000 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1760218072 WWUCKHSGIBILCV-FQEVSTJZSA-N 432.528 1.880 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1760255394 ZMACTHYPYATKPS-TZIWHRDSSA-N 425.533 1.760 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNS(=O)(=O)CC)CC1 1760383361 NRYZGFSRQPBBNN-LJQANCHMSA-N 427.571 1.414 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760527921 MGKPHXPSUOSICU-OAQYLSRUSA-N 428.468 1.157 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN2CCN(C(C)=O)CC2)C1 1760545611 XQJDVKBRRVYFBJ-FQEVSTJZSA-N 425.537 1.286 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760554528 GMNBTNWOWWCPGJ-KRWDZBQOSA-N 431.562 1.445 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1760557238 FIIOCCJUSMCYRS-UHFFFAOYSA-N 443.573 1.993 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)F 1761606636 IANISIHUQKHTPK-LBPRGKRZSA-N 443.455 1.838 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCC[C@@H]1C 1767941485 DDUJDTUVJORUMX-HTAPYJJXSA-N 425.537 1.959 30 10 IDEE CO[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1768208697 FKYQYQWJNMRFJM-LEWJYISDSA-N 425.493 1.861 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768794741 IDLAMLWUQWULMO-QQMHEVNUSA-N 437.504 1.729 30 10 IDEE 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C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856118971 XSUHOVAKHJVGEP-OAHLLOKOSA-N 429.498 1.910 30 10 IDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)C1(C)C 1856389634 AEABKDLELICWBW-UHFFFAOYSA-N 437.537 1.862 30 10 IDEE C=CCC[C@H](C)C(=O)N1C[C@H](CN2CCC(N(C3CC3)S(C)(=O)=O)CC2)CC1=O 1857447652 UGPIKOXOZLWTSV-IRXDYDNUSA-N 425.595 1.852 30 10 IDEE C=CCOc1cn(CCCn2ccnc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870387377 BGPWKBHOMSXFDY-UHFFFAOYSA-N 429.521 1.974 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC(C#CCN(C)C)CC1 1889900435 DESRGGCFBHMDRI-HXUWFJFHSA-N 434.606 1.596 30 10 IDEE COC(=O)[C@@H](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)NC(=O)OC(C)(C)C 2010517037 SWAQQIWGWKUACH-QZTJIDSGSA-N 430.505 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2124535722 NSQUYGCZCQAGCF-AWEZNQCLSA-N 448.329 1.598 30 10 IDEE N#Cc1ccc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c(N)c1 2162568048 MLLBLOOEBQIOQM-QGZVFWFLSA-N 430.486 1.456 30 10 IDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2162568972 YFMFLVROEYJYNA-SFHVURJKSA-N 430.486 1.456 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2225622241 IQTHPOXHANWLLC-FHWLQOOXSA-N 448.369 1.417 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)OC1(C)C 2243403041 RARLSYGTHWSOHB-SJORKVTESA-N 440.309 1.896 30 10 IDEE CC1(C)OB(c2csnc2C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)OC1(C)C 2255534832 MKDAGIDCDRKEIG-UHFFFAOYSA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255627811 YTCWURGOBZUQNX-NWANDNLSSA-N 432.330 1.837 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2255648001 HHCAUKPPXBQZND-AWEZNQCLSA-N 436.314 1.633 30 10 IDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2255656816 GUJJJADJVVESRT-UHFFFAOYSA-N 436.270 1.383 30 10 IDEE Cc1cnc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255658920 KYXNFKMFUOTTMN-CQSZACIVSA-N 435.330 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255712215 JXGGKSOLVUPDDR-UHFFFAOYSA-N 435.330 1.416 30 10 IDEE CCc1nc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2255809775 CXGLWVQLSIUOCJ-UHFFFAOYSA-N 447.288 1.755 30 10 IDEE CC1(C)OB(c2occc2C(=O)NC[C@@H]2CNCCN2Cc2ccccc2)OC1(C)C 2255855626 QTELDHLEUKZQEQ-SFHVURJKSA-N 425.338 1.783 30 10 IDEE CC1(C)OB([C@H]2C[C@@H](C(=O)N3C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)C2)OC1(C)C 2267118172 IYSPKKZBJGGNHW-NDBYEHHHSA-N 447.263 1.240 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C(NC(=O)OC(C)(C)C)[C@@H]2C1 2267516310 BXMKYCZIABEUSF-ZIAGYGMSSA-N 446.357 1.623 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](COCc2ccccc2)C(=O)O)n1 2268973609 ARKFMLQAHOVMHQ-QGZVFWFLSA-N 443.309 1.602 30 10 IDEE C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312366 VOLWCBGAWKTPEP-SNVBAGLBSA-N 425.765 1.065 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2315534253 RCQPILQATJSMEE-MGPQQGTHSA-N 432.330 1.457 30 10 IDEE C[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2315685543 WXLHUJRKONTUAV-QWRGUYRKSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)NCc1c[nH][nH]c1=NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2352399478 CNLVIBCTUGYFHG-UHFFFAOYSA-N 444.301 1.198 30 10 IDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccc(OC)cc1 10405728 ZMWMYAJJYVERFV-UHFFFAOYSA-N 445.545 1.549 30 10 IDEE C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OC)ccc21 13791890 BVQMWGQDRKHFKY-SXZOAGKDSA-N 435.527 1.222 30 10 IDEE CN(C)CCCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1cccnc1 102740396 JLYGBSXVHOLJSH-HQMFNGAOSA-N 436.468 1.900 30 10 IDEE CCN(CC(=O)OC(C)(C)C)C1CC(NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 426425898 DOQPCCOCZUTQCR-UHFFFAOYSA-N 432.525 1.585 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3c(C)c(C)nn3-c3ccc(C#N)cc3)CC2)n[nH]1 440751960 HREZAPQDPGFKFH-UHFFFAOYSA-N 447.503 1.070 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccccc2C(N)=O)CC1 470742527 CPFQVPCWIGYEQE-UHFFFAOYSA-N 426.498 1.123 30 10 IDEE COC(=O)[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccn(C)n1 470743210 BXFOOUSJEZSCRD-QGZVFWFLSA-N 438.444 1.787 30 10 IDEE CCn1c(Sc2cnc(C#N)cn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 475453487 QXYIDFQVFARYNN-UHFFFAOYSA-N 430.515 1.890 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)s1 477434478 UJYLGAQQZCNPSS-AWEZNQCLSA-N 445.566 1.284 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 477771382 PCBNHXTXKYFELO-LJQANCHMSA-N 438.532 1.780 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@H]1CCCO1 479390514 WPGGSGQXAXVHOF-CYBMUJFWSA-N 437.974 1.833 30 10 IDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 497572833 IHEUQUXRKXLVNZ-UHFFFAOYSA-N 429.542 1.343 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OCC2CC2)CC1 508498119 PNFAYIAHSZWLOR-QGZVFWFLSA-N 425.555 1.192 30 10 IDEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 516075235 CJIDGKMOPVQEBC-UHFFFAOYSA-N 443.529 1.831 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1C[C@H]1CCCO1 520860959 CLKYZCMQUATBKU-CQSZACIVSA-N 447.919 1.663 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)nc1 531884265 ZKAMPEGWJSJKSV-UHFFFAOYSA-N 444.516 1.574 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 545461640 VBKDSHUYJNIITF-LJQANCHMSA-N 443.467 1.379 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccc(F)cc2)c1=O 572786336 WZUGWXTYEGOWKL-UHFFFAOYSA-N 436.512 1.897 30 10 IDEE N#C[C@]1(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CCSC1 589308994 BHMIYRYSADSLHL-ZLVIZOEASA-N 433.533 1.981 30 10 IDEE C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ncccc2C#N)CC1 619510087 MFJOUGPOHXMEAO-ZDUSSCGKSA-N 446.433 1.636 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H]3CCCO3)CCN2C1=O 619853122 DKGFULYSNKGPHE-ZWKOTPCHSA-N 435.488 1.468 30 10 IDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3ccc(F)c(C#N)c3)ncnc1-2 729568706 AGYAOUBHHHBOSH-UHFFFAOYSA-N 433.245 1.744 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn3ccccc23)c1=O 729671358 HNSUBJXAWKULIL-UHFFFAOYSA-N 447.520 1.626 30 10 IDEE CC(C)c1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2cnn(C(C)C)c2n1 732907735 CGBOXVXNLIZFRZ-OAHLLOKOSA-N 431.518 1.715 30 10 IDEE CCC[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCc2sccc2C1 735856345 FZEYBWCJOXRDGG-DNTCVELPSA-N 430.530 1.834 30 10 IDEE C[C@@H](CC(=O)N1CCN(C(=O)CC(C)(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742526212 OLKANEZBZVJPQG-HNNXBMFYSA-N 434.562 1.611 30 10 IDEE CC(C)CN(C(=O)CON=C(N)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 747838840 NXZCQJWRJVDMOC-NSHDSACASA-N 436.328 1.351 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CCN1C1CC1 756780663 QTEBTPLIOIAZDJ-HNNXBMFYSA-N 430.871 1.861 30 10 IDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)CC(=O)O 757379772 JRWMTUFRQIFXNG-YCRPNKLZSA-N 436.464 1.869 30 10 IDEE CC[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(F)F 766037670 LGDFKURLKXJEMQ-CQSZACIVSA-N 428.505 1.693 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2nc3n(c2C#N)CCS3)C1=O 771340873 ZPVYJTJKYCNWIE-FQEVSTJZSA-N 440.485 1.583 30 10 IDEE CCc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1 771539117 AVTWAYSRNNYQRZ-MRXNPFEDSA-N 427.534 1.615 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 774576616 MBBDSVDGAGLIAZ-UAGQMJEPSA-N 432.546 1.698 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](c2nn[nH]n2)C1 775544037 CMQMNKPWFIYYIS-ZFWWWQNUSA-N 431.522 1.059 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 780207287 XALRDSGSXODELJ-QJOMJCCJSA-N 431.518 1.590 30 10 IDEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@H]1[C@H]2OCCC[C@@H]21 780309633 NFHXCUKDBWMAAF-LXZJYRNTSA-N 431.514 1.934 30 10 IDEE CCn1ncnc1CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 794428330 UYECLOCLZUFSFY-INIZCTEOSA-N 429.550 1.498 30 10 IDEE C[C@H](C(=O)OCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)n1cnc(C#N)n1 798746437 UGYFJBQKQGYNDY-LLVKDONJSA-N 438.275 1.305 30 10 IDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802612810 OFEDKTMOFYDZJK-QGZVFWFLSA-N 439.443 1.572 30 10 IDEE C#C[C@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 812021576 BLHFOMWKAKCWKK-SFHVURJKSA-N 426.908 1.842 30 10 IDEE CCN(C)Cc1cc(O[C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)ccn1 856584061 CXBBLQUUSUFHHB-FQEVSTJZSA-N 429.546 1.727 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)[C@@H](C#N)C1 856663541 WDQMAAXGYHTCSJ-INIZCTEOSA-N 433.509 1.354 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)c3cccc(OC)c3)n2N)cn1 1084042805 GJGFBCWFUADGSL-UHFFFAOYSA-N 430.494 1.264 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1116585604 GEUBAPCWVBYEEU-RTBURBONSA-N 442.516 1.974 30 10 IDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCC1CCN(CC#N)CC1 1146579131 JZOXIGSMACKFSK-BVUBDWEXSA-N 426.439 1.324 30 10 IDEE C#CCN1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1147283295 GGKXHNYFMKSUIK-UHFFFAOYSA-N 435.546 1.074 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1152947400 PEPZADIRRVJCDX-CLTKARDFSA-N 446.456 1.369 30 10 IDEE O=C(CC1(Cn2cnnn2)CCCCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272130 CCMITEDAQKXHOC-UHFFFAOYSA-N 426.477 1.918 30 10 IDEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1188221572 BBZJCIJBZXSHGT-WCQYABFASA-N 435.428 1.073 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1208474261 PUPIWOZIBRWJKI-NSHDSACASA-N 428.410 1.977 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)c1ccc(Br)cc1 1211982524 VOFQEAUKMDNICK-CQSZACIVSA-N 429.317 1.900 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc2C1 1286278069 LAGDQVQPHMRHLN-MSOLQXFVSA-N 444.605 1.795 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCCOC2)C1 1286349767 NTRGGUCFVWPHCP-FXAWDEMLSA-N 437.566 1.031 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(NC(C)=O)cc2)CC1 1286472036 QCUMJENKLQSZHC-GOSISDBHSA-N 440.548 1.764 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(O)CCC2)CC1 1286473733 SEXFNWXYBRWMNY-UHFFFAOYSA-N 443.573 1.409 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cscn2)CC1 1286511254 HTSVFFKGVQFMPD-UHFFFAOYSA-N 445.618 1.546 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C)nc1-c1ccccc1 1286713683 HUUZNAVJEYBWFD-HNNXBMFYSA-N 429.550 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1286821358 IDPKVXNIYGVKOK-RTBURBONSA-N 431.562 1.728 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 1295383497 CMGMFXADBYFORL-JKSUJKDBSA-N 428.961 1.787 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1300501632 MLGMOZUVIMJKEP-QZTJIDSGSA-N 431.587 1.644 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC=C 1300563901 PJYPUVGVAYDASC-UHFFFAOYSA-N 427.486 1.917 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)NC 1300649844 PLELGUFOQHTQDE-UHFFFAOYSA-N 442.520 1.592 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2-n2cccn2)CC1 1300684027 WIQWNEBZEVHDRW-HXUWFJFHSA-N 449.559 1.991 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NCC(F)F)CC1 1300718240 HBXHCYFJSPZJDF-UHFFFAOYSA-N 434.447 1.194 30 10 IDEE COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1300974114 DRALPNIPJUGYDA-GPMSIDNRSA-N 440.570 1.024 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301577535 PRVPLYHKBYCUPR-WBVHZDCISA-N 449.964 1.914 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1305233439 BPTRKQBTDMILAD-QFBILLFUSA-N 444.561 1.161 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)C2)c(=O)nc1O 1305591312 WLPYSILZVJEGNP-JTQLQIEISA-N 431.811 1.049 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1306044466 ACCHKIWIDWHCJU-CABCVRRESA-N 433.582 1.825 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CCCCCO)CC2)CC1 1307967414 KAXVVJCDXWGVSJ-JOCHJYFZSA-N 431.556 1.315 30 10 IDEE COc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1OC 1315390522 WMRZWWYIBMBQJJ-UHFFFAOYSA-N 445.501 1.956 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1315752353 HTEKCTAAGSEIEZ-UHFFFAOYSA-N 439.520 1.073 30 10 IDEE CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)CC1 1322235748 AMTUARWJWHVKOB-FQEVSTJZSA-N 445.523 1.866 30 10 IDEE C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cc(F)ccc1N1CCC(O)CC1 1332014384 CPRLWTAHVIVWCF-OXBTWTFQSA-N 430.480 1.881 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(I)n1 1355540776 PNWCBLMPZNCELU-SNVBAGLBSA-N 445.261 1.610 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358962649 UGHHEVAVMFZBSC-GJYPPUQNSA-N 440.591 1.014 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1359514682 SRCPWCJYYSTJEW-UHFFFAOYSA-N 443.577 1.746 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3C#N)CC2)c([N+](=O)[O-])c1 1452165599 RJSDACVUWZQFIM-GDBMZVCRSA-N 435.506 1.434 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1456067538 XFPILKOLUPJRGC-GOSISDBHSA-N 438.513 1.862 30 10 IDEE CONC(=O)C1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1460738043 XJOBJQMMTGLORU-KRWDZBQOSA-N 443.548 1.746 30 10 IDEE C=C1CC(C)(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)C1 1463867451 SSKDKXZAMJZFML-UHFFFAOYSA-N 439.921 1.860 30 10 IDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1473639291 CAXBSRAGTOJUPF-UONOGXRCSA-N 443.426 1.177 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1504540165 ZSKMPBBTWIKATO-UHFFFAOYSA-N 448.474 1.830 30 10 IDEE COCCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1505015442 QATZKUYUGMTRRN-SFHVURJKSA-N 440.504 1.203 30 10 IDEE COCCOC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1505023278 VSHGXXMNBLUDBU-UHFFFAOYSA-N 428.493 1.659 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CC(OCC)C1 1507537387 LBLDJJLSYBKKTM-JVIIGWRGSA-N 438.576 1.992 30 10 IDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[C@@H]1NC(=O)NC1=O 1507603304 PIKSZVYSGFPSJY-AWEZNQCLSA-N 449.284 1.904 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507633986 WECGELWTEMYQSQ-GOSISDBHSA-N 445.520 1.950 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(-c2ccccc2)n1 1507702577 KFWYPNNNTKHIGM-UHFFFAOYSA-N 434.504 1.229 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1507798836 HVSMYVGJKOAPDH-UXLLHSPISA-N 442.486 1.895 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1508105191 PSSHMZXQNHSLMP-NVXWUHKLSA-N 447.561 1.712 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(Cc1ccnn1C)C1CC1 1508141750 YGKCLWMQEHCJFD-UHFFFAOYSA-N 428.522 1.238 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1508409011 AHAWSORYTKBWCV-IIAWOOMASA-N 439.611 1.849 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1510112566 JQCVXOYJKNTFOF-JLTOFOAXSA-N 430.534 1.164 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCO[C@H]1C 1515769787 AKYGKIVZZXJZPE-MGPUTAFESA-N 433.534 1.228 30 10 IDEE C#CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1530086031 FUBCDWOFLXPGHK-FQEVSTJZSA-N 445.585 1.788 30 10 IDEE N#Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)n1 1538517416 MIGFLEPSVKFVKJ-UHFFFAOYSA-N 425.923 1.780 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539085269 JZDHZRJNLZNYLG-UHFFFAOYSA-N 435.532 1.353 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ncn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1539219874 NYWLYEFJMWGQLB-QGZVFWFLSA-N 425.518 1.096 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1539222731 XFFOQPAISQOMRH-GBESFXJTSA-N 435.594 1.283 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1539224386 GFQLWSWCGHCWDY-NQIIRXRSSA-N 436.578 1.443 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1539239722 PXTAZCJOOVSNRV-CVEARBPZSA-N 433.509 1.568 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1539409106 OJJBANORRMNONA-UHFFFAOYSA-N 430.509 1.397 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC1(OCCOC)CCOCC1 1539552552 UQDXEXLDQZQUQY-OAQYLSRUSA-N 428.537 1.883 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539637209 OISWHBLPVZDGJY-AVRDEDQJSA-N 430.597 1.858 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 1539981879 JVHUMIAXBFKUND-INIZCTEOSA-N 434.570 1.280 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cnccn1 1540005149 JSRRBQYHOGJJJQ-KRWDZBQOSA-N 435.554 1.046 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1540013459 PYAUONAGADOPJJ-HXUWFJFHSA-N 429.613 1.971 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 1540543737 ZOHJOJHHTWDJRI-FQEVSTJZSA-N 431.489 1.926 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCc2cccs2)CC1 1540868477 GUHHQXGDAJGYDN-UHFFFAOYSA-N 440.577 1.407 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1 1540875496 NTYLXCZAHJTLOY-SFHVURJKSA-N 428.512 1.973 30 10 IDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540916257 VBYVNIAPRZKZJJ-CVEARBPZSA-N 434.566 1.912 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)cc1 1542446324 GNWJKJGCKCPCHT-KRWDZBQOSA-N 447.561 1.844 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1555990975 VBKYPLTUUSZQBU-JKSUJKDBSA-N 437.495 1.325 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)C1 1556619791 UFYMBVZFSMJCBY-SJORKVTESA-N 438.347 1.935 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 1558743014 OMKFJFLILZBDKK-INIZCTEOSA-N 444.517 1.017 30 10 IDEE CCOC(=O)C1=C(CN(CC#N)CCC(=O)OC)NC(=O)N[C@@H]1c1ccc(Cl)cc1 1560080167 RUFTYEAXJAXKBE-GOSISDBHSA-N 434.880 1.900 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2)[C@H]1CCS(=O)(=O)C1 1565072642 LFUVIWXNTUZELZ-JKSUJKDBSA-N 425.551 1.750 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)C1 1565346514 QYKIUKYQSCACOG-GOSISDBHSA-N 433.350 1.901 30 10 IDEE CC(=O)N[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1cccc(Br)c1 1565629837 JWWUJSGPQXGKGF-DUPDJQDOSA-N 435.278 1.269 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)s1 1566389021 DVRDPFMPPVTUJG-OAHLLOKOSA-N 425.576 1.662 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccccn4)CC3)CC2=O)cc1Cl 1583538265 DZCMUCGAVPYAKF-MRXNPFEDSA-N 437.887 1.944 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1586932045 LOBZHTOIJXYPQO-NYYWCZLTSA-N 432.473 1.950 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1F 1587295846 AJAWKVUJDDHEHE-LJQANCHMSA-N 437.449 1.836 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCN(C)C 1587615095 QMAPZVOHJCSHOK-MRXNPFEDSA-N 433.582 1.274 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(OC)c(C#N)c2)c1 1587743786 ANPYMUVRTPUFFW-UHFFFAOYSA-N 444.513 1.966 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588050282 QJEXQCCZYGOCRR-HKUYNNGSSA-N 430.578 1.697 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C(N)=O)CCOCC1 1588093238 HFSOUYRCCCCNFU-UHFFFAOYSA-N 443.454 1.901 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1588174671 ZWAXQTMAPNKPBO-XMMPIXPASA-N 434.544 1.677 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC1 1588199529 SRQDQVVWAVPQAS-UHFFFAOYSA-N 427.526 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ncn(C)n2)CC1 1588962342 ZVIVBFCDYRUBEI-UHFFFAOYSA-N 448.531 1.308 30 10 IDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1593806407 AJSIKIHPTSMDFG-INIZCTEOSA-N 431.928 1.836 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(O)(c4nccn4C)CC3)ccc2c1=O 1594016639 JDVUIHQELWXYDH-UHFFFAOYSA-N 425.514 1.729 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1594855343 BERBVJWSIBFPNK-ZIAGYGMSSA-N 430.575 1.671 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC)C2)cc1 1595614206 PWELOXUEPPODBP-OALUTQOASA-N 427.505 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595812186 PABLNUUFONXGKK-OALUTQOASA-N 447.561 1.249 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1595821457 BSVBSASUMNIBCY-MAUKXSAKSA-N 436.582 1.602 30 10 IDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1612123353 ALSNVMOCVLTTCQ-UZLBHIALSA-N 433.534 1.311 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1614875887 XXESEWUVNBMOGF-UHFFFAOYSA-N 445.472 1.812 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1)c1cc[nH]n1 1623785936 QEHKONGRNIEYGZ-ZDUSSCGKSA-N 436.490 1.365 30 10 IDEE CN1C(=O)COc2cccc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)c21 1624987106 JYLPQMUDIDGUGL-INIZCTEOSA-N 433.424 1.757 30 10 IDEE C[C@H](CC(=O)NC[C@H](c1ccccc1)c1nc[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 1627460936 AHNCCFBRENOENW-RHSMWYFYSA-N 438.513 1.570 30 10 IDEE COC(=O)c1cnc([C@@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)s1 1630442177 PDYWLNKGTAEFQJ-GFCCVEGCSA-N 448.526 1.374 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)c2cccs2)CC1 1631538592 VYMKESMHTCPPLJ-GOSISDBHSA-N 432.571 1.827 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1635762319 WEQPFEIEEJDFQL-UHFFFAOYSA-N 429.608 1.721 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1636468674 CDZJUHFPTYHQLY-UHFFFAOYSA-N 444.307 1.033 30 10 IDEE COC(=O)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H](C)C1 1637460967 PREHFCPMNYFYAB-OQXXTQHASA-N 448.564 1.869 30 10 IDEE O=C1[C@H](NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCCN1O 1637667727 IJTJJRXKUBAIDW-OAHLLOKOSA-N 429.926 1.818 30 10 IDEE COc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)NC1CC1 1640916375 OJIJMDCMZRUIIT-GOSISDBHSA-N 429.498 1.813 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)[C@H]3COCC[C@H]32)n(-c2ccccc2)c1C 1646095291 ABNKISRNWPJPHT-UXHICEINSA-N 442.541 1.792 30 10 IDEE N#Cc1cccc(NC2CN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)C2)c1 1652088510 VLYJNQYNRMGNAV-UHFFFAOYSA-N 443.485 1.788 30 10 IDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)C(C)C 1655667214 AZNNBMJQZOSVCI-UHFFFAOYSA-N 448.589 1.590 30 10 IDEE CCn1c(Cn2c(C#N)nc(C)c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1656766004 AZYRHZGXJQGCJH-UHFFFAOYSA-N 428.518 1.810 30 10 IDEE C=C(C)C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)C(=O)OC 1664950599 CMRRGNMVCYUWSU-KSZLIROESA-N 440.518 1.450 30 10 IDEE C#CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1682279968 AQTZJNJYUCTDMX-CABCVRRESA-N 444.351 1.286 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1689850601 FERVZFGDNILCAA-GDBMZVCRSA-N 448.545 1.712 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1689892247 BEYZCJYUUOFEIC-HKUYNNGSSA-N 430.578 1.786 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1689927843 DFLHWVBWWSWIQD-YSIASYRMSA-N 441.580 1.022 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC2CCOCC2)CC1 1689943344 QGEGJSJKHUWYKK-SFTDATJTSA-N 431.581 1.964 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC(F)F 1689950929 GTSBCAXQJXGLKF-UHFFFAOYSA-N 427.477 1.894 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689986221 LDZCFJIPEAAPJG-CMKODMSKSA-N 445.589 1.971 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccco2)N(C)C)CC1 1690130835 NTJHQUGPDPJHEI-SFHVURJKSA-N 425.537 1.052 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccn(C)n2)CC1 1690133623 NSFPRUFJCXZAFV-UHFFFAOYSA-N 435.532 1.793 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCOCC2(C)C)CC1 1690363760 ASGSVMGONSPKIJ-MRXNPFEDSA-N 426.587 1.156 30 10 IDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1690483450 PLVNXOMFERWBAG-KRWDZBQOSA-N 449.581 1.301 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](COC)C1 1690662222 VIMJYKZENFCNTB-KRWDZBQOSA-N 436.516 1.956 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690662646 CACWGUPEARCPHV-UHFFFAOYSA-N 445.483 1.791 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCC2=O)C1 1690684406 FJZHBRNASSEQSG-SFHVURJKSA-N 430.553 1.698 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690722931 BBVLHJKYFWTMQI-HZPDHXFCSA-N 433.490 1.363 30 10 IDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690749066 PZHTVMUYFXNISI-KRWDZBQOSA-N 436.607 1.894 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)CCCO2 1690993942 TTXMZUSFOVEKEZ-GJZGRUSLSA-N 432.550 1.857 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1691001108 CLMUMXWOPXBOJQ-AEFFLSMTSA-N 425.541 1.274 30 10 IDEE CC[C@@H](C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1694194917 BLUCYUOJQZBXRI-GOSISDBHSA-N 439.564 1.842 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1695036659 BTKVUCBZKDKOKM-NQIIRXRSSA-N 446.577 1.886 30 10 IDEE CCCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1695440417 ONXBIGRHIWLDDT-HZPDHXFCSA-N 449.556 1.709 30 10 IDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1696441608 XFEJGOJOARFDJV-FDDCHVKYSA-N 440.548 1.515 30 10 IDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1696749756 LRESXLKANCMEBF-MSOLQXFVSA-N 437.504 1.810 30 10 IDEE CS[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698339452 FSSFGGHSYJLECV-GOEBONIOSA-N 426.550 1.574 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1conc1COC 1705544691 AOAJTSKQEBECTK-UHFFFAOYSA-N 444.517 1.448 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705567160 VDZHKRCZNHQWHV-QZTJIDSGSA-N 445.545 1.081 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705569234 FFFSBOZXZDVWPL-RTBURBONSA-N 436.578 1.443 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1705578879 KIKFMMSTGSMGID-UHFFFAOYSA-N 429.571 1.397 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1COCCO1 1705607248 WUEZVNMNFCAIFV-GOSISDBHSA-N 447.561 1.460 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1705639503 PPGFOOVEVIHZBM-FQEVSTJZSA-N 443.573 1.727 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1705741034 DPVQSTOTLYUNLU-INIZCTEOSA-N 429.550 1.972 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1705905471 WMVVRUCKNSOSDZ-CYBMUJFWSA-N 432.431 1.090 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1705912319 GOZUKJPXIMIOQJ-RDJZCZTQSA-N 446.533 1.230 30 10 IDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1708278560 HPMGJGRGUUUSMN-SGXKBVARSA-N 427.505 1.741 30 10 IDEE CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1708694145 HNIVHZYBCXKXCU-UFYCRDLUSA-N 432.569 1.648 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(C#N)o2)CCOC1 1710425258 YTKSXTKYDJHPOE-NRFANRHFSA-N 430.509 1.794 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712381533 XKIWKJADTTUIBT-IBGZPJMESA-N 427.553 1.991 30 10 IDEE COCCOC1(Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1712576893 DVFWKDZOFFHVEI-FQEVSTJZSA-N 430.484 1.994 30 10 IDEE CS(=O)(=O)CCOCCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1712704116 SPPYWDJQOWBGMG-UHFFFAOYSA-N 432.550 1.455 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1722298121 VREMIFXIYYDEFA-SFHVURJKSA-N 433.560 1.972 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722310476 LVGDGSKPJSIXSI-QGZVFWFLSA-N 442.545 1.366 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722371744 LEYYBSUZWPXGAW-OALUTQOASA-N 444.561 1.459 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCOCC1 1722375282 MEZRSNCNQUEBCH-SFHVURJKSA-N 441.557 1.142 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccccc1F 1722386799 LBEPUSJTAWWSMY-UHFFFAOYSA-N 433.491 1.782 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](OC)C(C)C)CC1 1722435150 CBJZNJNRAWWYNC-HXUWFJFHSA-N 435.536 1.347 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 1722437727 WHYNORIPKLUXSP-IBGZPJMESA-N 443.573 1.401 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1 1722477488 GXXHRNPXNBZUOK-GFCCVEGCSA-N 434.360 1.580 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722507635 YVALGXADJAHOGZ-BJLQDIEVSA-N 448.593 1.744 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1722538005 SLZDYGAPPFUHBZ-MSOLQXFVSA-N 441.598 1.830 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCOCC2)CC1 1722566321 PGRUQZYXVVPGIZ-KRWDZBQOSA-N 425.555 1.194 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722727701 QFKKHPOFQVMGOS-UHFFFAOYSA-N 436.582 1.483 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1723556634 PUDOMAODALIXQA-UHFFFAOYSA-N 448.487 1.026 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728175361 LBOBNNGKPAFKPU-UDJKBAMHSA-N 429.525 1.110 30 10 IDEE CCN(CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)C(C)C 1728511955 FUYABDOVXAFUGP-IAGOWNOFSA-N 441.602 1.080 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(N(C)C)CCOCC1 1729034651 WTNGVTAOUTULQK-UHFFFAOYSA-N 441.536 1.460 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730488351 MCKZQSLDHRHYNB-ZWKOTPCHSA-N 429.500 1.750 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CC(=O)NCC(F)F)c1 1731182283 XJTCBRLESSCUEA-FQEVSTJZSA-N 432.431 1.194 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCN(CC)CC1 1740559206 YRVWHYCQJZLIKT-MSOLQXFVSA-N 443.621 1.754 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1740638617 MTIBXYVGRNVGRX-UHFFFAOYSA-N 444.524 1.667 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nnn(C)n2)CC1 1740689893 DWDGZKBWMYYXEG-HNNXBMFYSA-N 441.927 1.399 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC(C)C)CC1 1740750939 VWVVVXPRVOBRIT-PMACEKPBSA-N 448.612 1.945 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740781404 GYAWEOYXAKMKIA-INIZCTEOSA-N 426.525 1.629 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(CC)nn(C)c2OC)CC1 1740825750 SWHSJESTTFEVRI-OAHLLOKOSA-N 434.566 1.689 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740885563 JQFRZKBYHYXHLS-KRWDZBQOSA-N 431.541 1.160 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740954541 AZFHIBNSSAUMPP-INIZCTEOSA-N 433.516 1.887 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740960796 BCEAMTRTNAZNKY-OAHLLOKOSA-N 444.486 1.650 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740962943 UHMJHNIJZSZJBF-UHFFFAOYSA-N 428.562 1.681 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@]2(CCOC2)O1 1743244794 KFUIFPADYCKVNG-VGOFRKELSA-N 427.505 1.600 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1746540736 ZKFAWRXHVPRPMZ-IAGOWNOFSA-N 434.522 1.551 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnnn1CC1CC1 1748647316 MVEUQLBHNFDDGK-LLVKDONJSA-N 430.314 1.938 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2([S@](C)=O)CC2)c1 1748692963 UDUDZQQUEAPQGF-MYGHRHJXSA-N 441.557 1.749 30 10 IDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748805858 XEPXHFNUUWPHPF-OALUTQOASA-N 443.573 1.535 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 1748817766 PXXAQMUZSCFUNZ-KRWDZBQOSA-N 430.530 1.880 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)cc1 1748948100 HTKLRHTYHGWDAN-UHFFFAOYSA-N 438.532 1.339 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749663348 BEFVVYKFVCJNQJ-UHFFFAOYSA-N 433.516 1.747 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 1749677718 IREMLJGANRDWKR-SCLBCKFNSA-N 441.363 1.723 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCS[C@@H](C(C)C)C1 1749721475 KYNLJTRLUUQGNB-OAHLLOKOSA-N 429.612 1.595 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749771895 BNWOWWPARHYIBJ-FXAWDEMLSA-N 428.537 1.635 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749771898 BNWOWWPARHYIBJ-YLJYHZDGSA-N 428.537 1.635 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc(C3CCC3)n2CC(=O)NCC(F)F)CC1 1750385016 YOFMADZKNNIMPE-UHFFFAOYSA-N 430.463 1.520 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750680314 DFXOKCAZPYNCSO-VERZRFAGSA-N 444.536 1.560 30 10 IDEE C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760180927 NCJPUBZVMZSEFK-RTBURBONSA-N 443.573 1.583 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1760185537 YXECALJDGVLTSX-HXUWFJFHSA-N 449.540 1.730 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1760219996 VDYXVQIBONLMMK-QGZVFWFLSA-N 439.607 1.217 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)c2ccco2)CC1 1760266232 TYDPOCYTZKWCRK-MRXNPFEDSA-N 426.521 1.780 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760278707 DQIYXJKPEAVCFD-LJQANCHMSA-N 440.577 1.764 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760449358 HTGFZDAMJFLBHJ-KRWDZBQOSA-N 444.540 1.226 30 10 IDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760508935 WQCZYFWLZOYHIB-UHFFFAOYSA-N 442.520 1.723 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1760524761 IRFQYFFKCWVDDW-NRFANRHFSA-N 431.924 1.820 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)C)C1 1760554951 RSCCMZCPNOYVDM-JKSUJKDBSA-N 430.596 1.263 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1765726446 QYGYOZSZHOQJHV-HNNXBMFYSA-N 441.492 1.742 30 10 IDEE CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1766694317 BIKYXPGCFQOMOU-QGZVFWFLSA-N 445.549 1.158 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1767540552 HJSOCMBAJXLCIL-HJPURHCSSA-N 438.532 1.973 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1768201428 OGYGRWUWYVJQIJ-QGZVFWFLSA-N 442.545 1.499 30 10 IDEE C=CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1I 1850690281 LYUVYAWZSMSGOB-XHDPSFHLSA-N 442.253 1.656 30 10 IDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@H](CN4CCCC4)C3)ccc21 1855046016 IVFYMWKOCOTFEB-MRXNPFEDSA-N 430.530 1.512 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C(=O)C1 1855296298 XWUQSQZLQAGOES-LEWJYISDSA-N 426.542 1.809 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3COc4ccccc4C3)C2)CC1 1857053781 VOPNZCGAKVDQGG-ZWKOTPCHSA-N 431.514 1.178 30 10 IDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@@H]1C 1857064097 PRYBCTZDMZOVSX-HNNXBMFYSA-N 427.482 1.937 30 10 IDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593329 AJNOGVSODKFGQI-UHFFFAOYSA-N 442.453 1.298 30 10 IDEE CCN(CC)CCNC(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931635 CGDINEOMHOKWIC-IBGZPJMESA-N 428.558 1.794 30 10 IDEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN(CC)CCO 1870641220 SHBKYISMFSMDPG-UHFFFAOYSA-N 429.517 1.552 30 10 IDEE CN(C)CCCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872649900 UFEDBAWYWVGCBO-UHFFFAOYSA-N 432.506 1.119 30 10 IDEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(Br)c1=O 2126911424 PIRXHCZSPXEIDG-CHWSQXEVSA-N 427.299 1.421 30 10 IDEE NCC#Cc1ccsc1CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2145990961 CRSSSMATJFBNPU-UHFFFAOYSA-N 445.566 1.944 30 10 IDEE CC1(C)OB(c2cnc(N3CC[C@H]4CS(=O)(=O)C[C@H]43)c(Br)c2)OC1(C)C 2172785266 TXGIXLJLQOXOFF-SMDDNHRTSA-N 443.172 1.767 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2247581201 IWKRWHNDEUQMTI-XXUFKVEXSA-N 437.537 1.637 30 10 IDEE CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247882573 QWRRUUHEBQDTOV-UHFFFAOYSA-N 441.359 1.574 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248411768 BXTJVHGBNIHTNV-IUODEOHRSA-N 440.371 1.938 30 10 IDEE CCCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2255538136 GRIHIHVQGPJMQF-UHFFFAOYSA-N 429.248 1.700 30 10 IDEE Cc1cnc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255612400 QMHMUNAERPCXRO-CQSZACIVSA-N 435.330 1.305 30 10 IDEE CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255693724 JCFQBGOACWLHPG-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C 2255818366 KCQMUFXBMLCVMX-UHFFFAOYSA-N 444.288 1.609 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256628876 NURDLAKARCQEGS-CABCVRRESA-N 433.314 1.690 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H](COCc2ccccc2)CC(=O)O)OC1(C)C 2256877944 YUPNWZDNSUFJTK-OAHLLOKOSA-N 429.282 1.499 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2267501612 ADUNPHFMNCEIHS-JKSUJKDBSA-N 446.357 1.943 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C[C@@H](O)COCc1ccccc1 2267538896 OTRRIUGBALCUIJ-GOSISDBHSA-N 443.353 1.852 30 10 IDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CC[C@H]1NC(=O)C(F)(F)F 2267552223 QUHVTGNITNHDID-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2267556839 HTLJHMTUEQEZJA-HNNXBMFYSA-N 449.357 1.860 30 10 IDEE C[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1NC(=O)C(F)(F)F 2267590340 NOGFNQUVQRMGOX-GXTWGEPZSA-N 441.259 1.910 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2272634575 SPVPAYHCRVSMTD-RCDICMHDSA-N 446.357 1.706 30 10 IDEE C#CCCN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364178414 OGQRLEJIKWJYNX-UHFFFAOYSA-N 431.558 1.814 30 10 IDEE COc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1 12293534 ROVCUUZNRNULHO-OBVHCKHUSA-N 430.482 1.240 30 10 IDEE C#CCN1C(=O)[C@@]2(C(C(=O)OCC)=C1CC(=O)OCC)c1ccccc1-c1oc(N)nc12 20167500 XHXMTCOBVILSKN-HSZRJFAPSA-N 435.436 1.769 30 10 IDEE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@@H]3CCCN(CCN)C3)nc2)OC1(C)C 204882590 CPUYQPCVNCVCAF-INIZCTEOSA-N 438.403 1.000 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)cc1 441634494 MIUAGVCJFOLZIH-UHFFFAOYSA-N 431.493 1.028 30 10 IDEE CS[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1N1CCCC1 483388993 APYDGMFSIAUCOS-GUDVDZBRSA-N 441.557 1.801 30 10 IDEE CC(C)Cn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 486983384 REXCQBRQTWHRTQ-UHFFFAOYSA-N 437.547 1.106 30 10 IDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C4(c5cccc(C#N)c5)CC4)CC3)C2=O)n(C)n1 506854303 BWKRBKCIHJQUOW-OAQYLSRUSA-N 446.555 1.972 30 10 IDEE CC(=O)NC1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 510293116 ZKJWNLGQEBQCFU-UHFFFAOYSA-N 433.534 1.021 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C1CC1 517985885 YKSBZHXAAXMJLI-HNNXBMFYSA-N 441.553 1.524 30 10 IDEE N#Cc1ccc(O[C@H]2CCN(C(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)C2)nc1 562866403 NZOFHBMRHPTUOL-JTSKRJEESA-N 445.479 1.409 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N(C)CC(=O)NC(C)(C)C 574797925 ODTXFLPUYRMQMR-UHFFFAOYSA-N 448.593 1.944 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 580965425 OEOHDCSPGNKBNF-CQSZACIVSA-N 426.568 1.588 30 10 IDEE C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2cccc(C#N)c2)C1)N1C(=O)c2ccccc2C1=O 586053245 IECYPBGUGBELJG-MAUKXSAKSA-N 430.464 1.964 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCCO1 603797285 CMIQEWWZEWHAKW-MRXNPFEDSA-N 447.944 1.008 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1C[C@@H]1CCCO1 603923287 KURVLIKEQUAVIC-NSHDSACASA-N 438.336 1.645 30 10 IDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669806764 UQSUJTPFZOYIPY-UZLBHIALSA-N 426.569 1.315 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)OC)c1 729975265 DEMSGZPXGAVKGP-KRWDZBQOSA-N 432.473 1.499 30 10 IDEE C#CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 730772952 ZMEMVPAEJZWLQR-HOTGVXAUSA-N 437.905 1.194 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 756896096 ZBAMVONJDATWKD-WFASDCNBSA-N 427.910 1.989 30 10 IDEE CN1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)c(F)c1 765309954 JOHSNNJJPNCULW-QFBILLFUSA-N 434.468 1.565 30 10 IDEE O=C(C#Cc1ccccc1)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 773460545 ODPVYLKVNLDHDP-AQTBWJFISA-N 438.505 1.726 30 10 IDEE Cc1cccn2c(=O)c(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)cnc12 773697526 SLGLPAOCIRROKV-UHFFFAOYSA-N 428.408 1.856 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@H](CO)c2cccnc2)c1 806218203 RYUTVUORMRYOAV-WGCOJADFSA-N 431.518 1.792 30 10 IDEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cnn(C)n2)c1 807933887 ARUGMSRIRPZBBA-SFHVURJKSA-N 443.577 1.577 30 10 IDEE CN(C)C[C@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 918376961 IZTMOTTVHIIGBW-SFHVURJKSA-N 428.558 1.794 30 10 IDEE C=C(C(=O)OC)[C@@H]1[C@@H](O)[C@@H]2C(CO)=CC(=O)C2=C(C)C[C@H]1OC(=O)Cc1ccc(O)cc1 1077999804 DDNQXWHGQQEAOE-YJSIEXFISA-N 442.464 1.391 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(C#CCO)c2)C1 1136460644 JLOJQSHEYWPMRO-LJQANCHMSA-N 429.517 1.524 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1156970899 PJOVVRPQXIXPBT-YFHOEESVSA-N 425.526 1.919 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 1160050937 LBLIIWXKGJLRIY-NXVVXOECSA-N 431.392 1.513 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC(F)F)C[C@H](C)O)nnc12 1161324213 ACIFQWSOJOYQSX-LBPRGKRZSA-N 437.472 1.797 30 10 IDEE COC(=O)Cc1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1168112022 CBBJSPGRRQIFGH-AWEZNQCLSA-N 429.498 1.536 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1168606211 MZPMVUDQGATURK-QGZVFWFLSA-N 443.529 1.127 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)ccc1OC 1265125117 GSVUCMTYCKGKLY-CQSZACIVSA-N 433.490 1.137 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1286392835 HNRXCFZODCWEFG-LJQANCHMSA-N 440.573 1.994 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(F)c1 1286411050 XZGJGRZIKGLSJN-SJORKVTESA-N 430.505 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1286492729 IJUTYAXCKFRPBT-QUCCMNQESA-N 428.581 1.480 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cnn(CC)c2)CC1 1286663155 HFLMBOSEASTFFN-GOSISDBHSA-N 449.581 1.278 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1(=O)=O 1286758793 VCSUADNZGRFLLD-JKSUJKDBSA-N 428.580 1.326 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1 1286778693 DECSHGRIFZPXOU-RDJZCZTQSA-N 432.550 1.532 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC 1286779407 IBEMYAPDSNNGIZ-NSHDSACASA-N 438.330 1.156 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1286824347 BKLNSUARJMDLHT-ABSDTBQOSA-N 442.582 1.535 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccc4c(c3)OCCO4)cc2C1=O 1287491602 MSKKLNFFJUXWBT-UHFFFAOYSA-N 435.436 1.951 30 10 IDEE NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1290504713 KOYRQSDDYQQIKU-KRWDZBQOSA-N 435.377 1.986 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1291677556 YKMBBFUZAMEFHN-PICWGWEPSA-N 430.509 1.314 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1294896878 ANLGNKUTOBMEBE-GOSISDBHSA-N 438.536 1.292 30 10 IDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1298555288 LJXDYFYBYUBSNG-XOMICKMZSA-N 439.520 1.673 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1299909802 CPNDYJFJUPLTDM-XBHMSOGKSA-N 433.896 1.876 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1300283354 MBHHNRNGILDJJP-HUUCEWRRSA-N 436.559 1.241 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC 1300900743 HHAJASFAJCTQFY-UHFFFAOYSA-N 445.387 1.998 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCS(=O)(=O)C1 1300915543 OFLKVOXKWGSRTH-GHTZIAJQSA-N 448.545 1.743 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCOC)CC1 1300950559 GMJLWYFKGDPTHS-KRWDZBQOSA-N 439.582 1.125 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC=CO2)CC1 1301126978 XOSKBISIFMYOCM-ZWKOTPCHSA-N 437.566 1.706 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301229706 YASPMGDQSGWWQL-UHFFFAOYSA-N 440.508 1.997 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1301362812 KEQRQZZICHZYIL-HUUCEWRRSA-N 435.575 1.713 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)(=O)CC1 1301482944 FZSWZWHZTKRXEM-UHFFFAOYSA-N 441.460 1.084 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1301484979 PKNUOINEKIYMTD-DZFIZOCASA-N 429.546 1.886 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301585860 CNDBLDANDXMHSE-QGZVFWFLSA-N 441.561 1.592 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1301664016 FKCPZNCRAYIBTI-UHFFFAOYSA-N 442.545 1.310 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1303760149 BIDKXAGVMDCTJG-GJZGRUSLSA-N 435.529 1.306 30 10 IDEE C=CCn1cc(CNC(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)nn1 1311347528 CGEVHGGKHDJPGS-GOSISDBHSA-N 430.509 1.354 30 10 IDEE CS(=O)(=O)CCCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1316347728 OSOBUEIACHUADR-UHFFFAOYSA-N 434.522 1.571 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1358888319 KTXSBXHVIKUHQF-JKSUJKDBSA-N 427.596 1.356 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358951377 TXNSMOHZSDNGLZ-HNNXBMFYSA-N 428.484 1.966 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1358969688 UOGAJROBQAUITE-KRWDZBQOSA-N 437.529 1.195 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359048218 IYEFRVMDHQVKHF-UHFFFAOYSA-N 434.610 1.866 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1359137128 GGRXALNVEVMMQM-PGRDOPGGSA-N 435.569 1.968 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nnc3n2CCCCC3)CC1 1359159438 WGLWZGLKHQXMSD-MRXNPFEDSA-N 448.597 1.605 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359293553 TVSABJAIJUPYOG-MELADBBJSA-N 435.447 1.460 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccccn1 1360215775 WHRWWHIHFWZRND-UHFFFAOYSA-N 432.488 1.589 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1360653943 XUHHPVOQFSMNOK-FOIQADDNSA-N 448.549 1.202 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1N(C)CCCC1(C)C 1360671400 FKGCKWBXNIBIAK-RDJZCZTQSA-N 437.614 1.749 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)c1 1441891974 WLOHVHVTTCJECG-QFIPXVFZSA-N 431.464 1.698 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3ccc4c(c3)OC(F)(F)O4)CC2)o1 1460310265 JWSWIOQWQHUOKJ-UHFFFAOYSA-N 433.415 1.957 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)cs1 1492663464 AHZBHECKSFDHEN-AWEZNQCLSA-N 432.531 1.770 30 10 IDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1496308136 LRGUDQGPNBGVJM-SFHVURJKSA-N 439.564 1.890 30 10 IDEE CC[C@]1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1497618425 RLCPENQKPFBUAV-YKNSSVCLSA-N 437.504 1.872 30 10 IDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507606608 RSZAXJUEWYEYRG-LJQANCHMSA-N 439.520 1.865 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1507628847 INBDCYSJPNPSKE-YMGMXPECSA-N 432.571 1.483 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507711349 UJGHUVOQQDDAGX-IAGOWNOFSA-N 445.486 1.521 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507753197 JBUMBFXJJZHNDN-ICSRJNTNSA-N 432.638 1.832 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513832891 KTTUIWZDMYTBRW-SIDZWQQWSA-N 430.509 1.140 30 10 IDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1515444372 LNNULXZPLJIZCV-INIZCTEOSA-N 431.518 1.267 30 10 IDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H]1C 1515808807 GNNRXTXZZLXOPB-MSOLQXFVSA-N 437.548 1.594 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1517641218 DXHSOIPQEGOZJD-GOSISDBHSA-N 438.488 1.065 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCOC4(CCOCC4)C3)C2=O)cc1 1529476848 MDJZWVVDNSLXMW-WMZOPIPTSA-N 426.473 1.608 30 10 IDEE CO[C@]12CCC[C@@]1(NC(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCO2 1537801583 LCGWGKQIHBCQRY-RTWAWAEBSA-N 433.530 1.761 30 10 IDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1539384657 BRKYSSVBOALESX-CKEIUWERSA-N 447.875 1.518 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1539475781 NZWSOPQZJFFFGL-ICSRJNTNSA-N 438.532 1.357 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1539513300 IFAUEICXHLJGFR-GOSISDBHSA-N 435.557 1.794 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCOC(C)(C)C2)CC1 1539828416 JYMRESJLZYKBOR-INIZCTEOSA-N 426.587 1.156 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O 1540471427 YZEYYNGWTTWNHI-UXHICEINSA-N 440.544 1.976 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540875841 ZOLKWIROGWSDNA-DLBZAZTESA-N 428.512 1.971 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1541799703 KENAMYBCZRQROH-BHYGNILZSA-N 433.534 1.627 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOc1ccccc1 1541945687 KKIPFJKXMKWVNV-NVXWUHKLSA-N 434.522 1.086 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)N2CCCC2)n1CC(F)(F)F 1544582109 GDZLKKMGSKUPJL-ZDUSSCGKSA-N 449.441 1.453 30 10 IDEE CN(Cc1ccco1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554179366 AMZAWURFLGAJQX-ZJYNUGOYSA-N 426.477 1.928 30 10 IDEE CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1554485898 DNXARNFPLVVVIX-FQEVSTJZSA-N 437.548 1.502 30 10 IDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)C 1554636400 GHESXWHUCNDIIS-QFBILLFUSA-N 446.577 1.958 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(OCCO)CCC(F)(F)CC2)c1 1561763539 OCHHAWFOSBIDCI-UHFFFAOYSA-N 432.489 1.838 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N[C@H]3CCCN(O)C3=O)ccc2NC1=O 1569675596 BFYGTBFWFJZDCB-CVEARBPZSA-N 432.477 1.575 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(N4CCOCC4)CCOCC3)n[nH]2)c1C 1570187489 DBZMXMJPUSRUGC-UHFFFAOYSA-N 428.537 1.687 30 10 IDEE C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1586824598 SNIUCPVUPTWTEB-OAHLLOKOSA-N 437.743 1.872 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1587679187 YBUVPIPULADRHA-IRXDYDNUSA-N 446.552 1.667 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1587808434 RHSMHZVSUGXGMR-MRXNPFEDSA-N 436.582 1.283 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588045753 QCQFOTDGCKWTRH-QGZVFWFLSA-N 431.562 1.727 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H](C)C2)CC1 1588806566 VKIYGUGBFHWFPI-UXHICEINSA-N 427.597 1.497 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC(N)=O)c2)CC1 1588813363 XFRFILPKNZPREO-HXUWFJFHSA-N 438.532 1.187 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(C(=O)NC)c2)CC1 1588946590 FLFDWZXODVPGDU-UHFFFAOYSA-N 436.560 1.850 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1589110232 RGEFBJUUGTUFGI-UWJYYQICSA-N 433.578 1.541 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1593660715 STGYWAZDTNMNDT-ICSRJNTNSA-N 443.596 1.356 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1593741528 RKGKJLNHQLZOAE-MSOLQXFVSA-N 432.569 1.811 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1593746490 GNAXDBLLTNOVNT-SFHVURJKSA-N 440.552 1.615 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sc(C)nc1C 1594963295 RFMFYFJJFUTDDC-HNNXBMFYSA-N 440.595 1.549 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1)C1CC1 1595058489 NKXXRFZSVRUSQD-OAHLLOKOSA-N 438.579 1.579 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1596789101 FQCBZSGSEIXCOS-LBPRGKRZSA-N 448.329 1.806 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1611527039 BVIYQDGYURGGCQ-OALUTQOASA-N 441.532 1.721 30 10 IDEE CC[C@@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613239820 IVXBHNDMYYMWOJ-RLBWVDARSA-N 443.552 1.765 30 10 IDEE C#CC[C@]1(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)CCCN1C(=O)OC(C)(C)C 1616265692 NEGMPPPCVKZFRG-HSZRJFAPSA-N 447.580 1.291 30 10 IDEE COCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 1619816123 QEKMYZDLKNFQEN-QGZVFWFLSA-N 448.549 1.351 30 10 IDEE N#Cc1cn(CCC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c(=O)nc1O 1626547931 HZKQWWBWDWSOFK-HNNXBMFYSA-N 433.262 1.573 30 10 IDEE C#CCN(C(=O)c1nc(N)nc(N(C)C)n1)[C@H]1CCOc2ccc(Br)cc21 1629239015 YMBBSEGZBPDHQN-ZDUSSCGKSA-N 431.294 1.882 30 10 IDEE C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1629246423 UZAPCLSJFSDASW-SFHVURJKSA-N 426.448 1.283 30 10 IDEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Br)cc1 1629571908 WVVOAKDXQWDNHZ-JKSUJKDBSA-N 447.264 1.943 30 10 IDEE C=CC1(CC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 1630221828 TVDCAUDJTFTEIE-UHFFFAOYSA-N 427.567 1.872 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC 1631305032 IBENVIVZVZOXFJ-MELADBBJSA-N 432.901 1.976 30 10 IDEE C#C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C1CCOCC1 1633417080 AKRMCPHJMGPYAX-AEFFLSMTSA-N 440.949 1.956 30 10 IDEE COc1cccc(-n2ccnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1635693052 RYMPWGAKIZTXPD-LIRRHRJNSA-N 432.527 1.370 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)s1 1635856454 KUZDNVMDBPDWCF-ZDUSSCGKSA-N 447.579 1.099 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 1636480805 XFILRHDIEJRNES-UHFFFAOYSA-N 437.443 1.996 30 10 IDEE C#CCN(C(=O)CCn1cnc2c(N)ncnc21)C1CCN(C(=O)OC(C)(C)C)CC1 1638331361 USLLMFQGRQRRTN-UHFFFAOYSA-N 427.509 1.660 30 10 IDEE COC(=O)c1cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c(C)cc1Br 1640195747 CNKJRNNLBPEQGM-UHFFFAOYSA-N 435.234 1.707 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1643881190 GYCBFBVEWLKYFE-QOKNQOGYSA-N 447.538 1.346 30 10 IDEE CN(C)C(=O)c1c[nH]nc1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1645095877 YRDQNPOOIRZEON-UHFFFAOYSA-N 432.506 1.349 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1COC)C(=O)OC(C)(C)C 1648593615 YYUUJBICUBIDLL-INIZCTEOSA-N 425.526 1.951 30 10 IDEE C=CCN(C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@H](C)COC 1681824617 GMHZDVZWGOSOLY-CQSZACIVSA-N 425.507 1.063 30 10 IDEE C#CC[C@H](CO)NC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1682279970 AQTZJNJYUCTDMX-HUUCEWRRSA-N 444.351 1.286 30 10 IDEE COc1cc(OC)c(C[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)c1 1682496290 PHHXBACMTDYMHO-PJSUUKDQSA-N 437.518 1.223 30 10 IDEE N#C[C@@]12CN(C(=O)N[C@H]3COc4cccc(Br)c4C3)C[C@H]1CS(=O)(=O)C2 1683643700 KEUAXIBKMMYFDR-JKDFXYPNSA-N 440.319 1.332 30 10 IDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689984900 XUKMCECEWFKWPT-IBGZPJMESA-N 443.573 1.613 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689986345 NPXGMLWPIAYLLB-LJQANCHMSA-N 444.605 1.786 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1689992836 PLNOKWOATAWBPL-FUHWJXTLSA-N 431.587 1.644 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689993716 KDZCKQIDGPCQHP-SFHVURJKSA-N 444.586 1.762 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1690043809 ORKAKRZQAVVODP-UHFFFAOYSA-N 430.468 1.616 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC[S@@](=O)CC)CC1 1690150691 QLPRTTAPWUFYQW-LJAQVGFWSA-N 433.603 1.665 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690308768 ZCSYSDCVJJWQBY-UHFFFAOYSA-N 426.525 1.666 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1690668598 BFMLAFFPMANWCW-OAHLLOKOSA-N 437.504 1.202 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O 1690682311 LHAMOUZPTJVFFM-INIZCTEOSA-N 433.534 1.323 30 10 IDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690740419 UWRCTHSLGNZCHZ-MRXNPFEDSA-N 429.594 1.982 30 10 IDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1693850312 ARVLEZVPVXQKLO-DSGGYQJVSA-N 433.472 1.568 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1695772075 NASHURNLTOQDQW-IBGZPJMESA-N 445.545 1.945 30 10 IDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1695929340 CDVITTWCWYVELP-HXUWFJFHSA-N 435.532 1.768 30 10 IDEE CN(C)C(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1696581455 LOXMXNUNPSAXFV-SFHVURJKSA-N 438.536 1.244 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C1 1697030653 FNUKRVHPIIDEQJ-GOSISDBHSA-N 434.504 1.967 30 10 IDEE COC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCCC1 1697233500 HNWSNFKHZANVSO-JKSUJKDBSA-N 440.570 1.166 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CCN1C1CC1 1698494590 XENKBFVRDIAALQ-UKRRQHHQSA-N 441.458 1.027 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1705561603 UYWWOCKVDHPHMQ-MLHJIOFPSA-N 442.557 1.767 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1705567071 SYTHRCSNBLFVQL-IRXDYDNUSA-N 449.964 1.896 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1705591159 HQXSKFAUXHCQOA-JOCHJYFZSA-N 442.541 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1705621545 GJVPFCFYQRKYJR-UHFFFAOYSA-N 441.536 1.122 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705662254 UMHOWPLPPHPOBU-LJQANCHMSA-N 448.637 1.529 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705903900 YBNWQSDEUHQTRV-UHFFFAOYSA-N 442.545 1.522 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CC(F)(F)F)C2)C1 1705922720 RGDCPZSUERTIKO-XHSDSOJGSA-N 442.486 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(F)(F)F)CC1 1705932655 XLPSJERBVDENMZ-UHFFFAOYSA-N 446.499 1.948 30 10 IDEE CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCOCC1 1706192263 GKVVNNNFBDHEBX-UHFFFAOYSA-N 444.561 1.162 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1711106745 FJNCLUZEBNRSIL-UHFFFAOYSA-N 434.504 1.625 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2cccc(Cl)c2)cn1 1711251339 FMVYPZRWHWQHSV-PXNSSMCTSA-N 427.896 1.968 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1722367561 MHPVYQHGCGHOML-LJQANCHMSA-N 447.605 1.965 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)C2CC2)CC1 1722441231 OGBKQEFSYXQQOK-HSZRJFAPSA-N 444.580 1.323 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722535605 LMYXANRXHGNYGG-SVMVAKDDSA-N 433.553 1.766 30 10 IDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1722640318 LKXADOQMGDAZCS-MRXNPFEDSA-N 436.557 1.981 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722701891 AANSFALVVGLBTO-CABCVRRESA-N 431.497 1.516 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(NC(C)=O)nc2)CCOC1 1728794073 DYKMMZJYWNXFBM-NHCUHLMSSA-N 443.483 1.774 30 10 IDEE CSC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1731028973 CBCOCAXSWXKYBP-ZIAGYGMSSA-N 430.600 1.491 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C1CC1 1740632094 WZQUZXWVIXJGHL-UHFFFAOYSA-N 438.919 1.461 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCNC(=O)OC(C)(C)C 1740672191 YRELBVAXIFYBDB-MRXNPFEDSA-N 439.582 1.945 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1740686390 RWKBJTYNSFTBCV-HNAYVOBHSA-N 438.575 1.235 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740858087 IEINODVEIFPJCC-JKSUJKDBSA-N 447.627 1.648 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)nn(C)c1C 1740963142 AOOPKSSZIRCJLL-UHFFFAOYSA-N 425.541 1.429 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1741658128 OXDVYBGHPJJQLC-OAQYLSRUSA-N 443.483 1.384 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)(C)O)n1 1742709861 DIKWXWMPNTYIBD-UHFFFAOYSA-N 435.536 1.504 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1744755566 ACOQPTQPIULXDN-MSOLQXFVSA-N 442.545 1.499 30 10 IDEE CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1745370038 ISMXIHFOWDGKRS-MRXNPFEDSA-N 446.581 1.672 30 10 IDEE Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cncn1 1748006474 LYXFVUQJDSLLMQ-INIZCTEOSA-N 434.277 1.780 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 1748751651 JNJWAUWAHBCYPV-QZTJIDSGSA-N 439.582 1.277 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCO[C@H]1CCOC1 1748788385 BNAAFSUCTVSDCZ-ZWKOTPCHSA-N 449.552 1.852 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748815756 TXIWILJZIDXWCU-DOTOQJQBSA-N 431.493 1.043 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748817072 DRUKCXBYRRMZSZ-JUXOCIIHSA-N 444.557 1.316 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1748913746 ZLHPFPUCCIRBCE-HSZRJFAPSA-N 432.613 1.804 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1748930115 XTBBAWNVHONQPM-INIZCTEOSA-N 425.518 1.269 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCc2ccccc21 1748970950 YCNYNRSZTPHPRZ-PTLVVNQVSA-N 440.544 1.922 30 10 IDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749438590 XSPVTBYYCVNUEK-UHFFFAOYSA-N 437.548 1.905 30 10 IDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1749557850 NDFOHAMCVMKGOO-LJQANCHMSA-N 447.609 1.612 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749680596 MNZJIMMBYPIJIL-RTBURBONSA-N 438.532 1.715 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749705071 FZOPMUDNZMYZJF-WXVFVKJXSA-N 449.515 1.956 30 10 IDEE C=CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749745587 ANARGUAZVNZBPU-MRXNPFEDSA-N 446.964 1.665 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)CCOC1 1751017747 IMIMMBMQSYJBQB-SFTDATJTSA-N 443.483 1.303 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCSC1(C)C)[C@H]1CCS(=O)(=O)C1 1760190804 ZROOEJNCBDNSNI-CVEARBPZSA-N 446.602 1.894 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1760205927 NAWYSZDGESNNMW-SFHVURJKSA-N 449.577 1.033 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1760225128 IPFBYNYCIMETOG-HBIPHATFSA-N 437.591 1.275 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1760235645 SCIDSDFQOZEXTI-VQIMIIECSA-N 445.545 1.674 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763045984 NFARZGBOQZSYSU-KIJUOZEOSA-N 443.552 1.815 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1765004319 HWOYBNVEXHRIRB-WATITHJCSA-N 427.509 1.177 30 10 IDEE CCN1CCN([C@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CC1 1765500038 MDISEBUVDBNHCL-IAGOWNOFSA-N 442.568 1.770 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1767231921 DHSCBIXKWIJQDD-OPAMFIHVSA-N 439.520 1.208 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1769994274 IKJSZSODCYPIII-CSODHUTKSA-N 446.531 1.847 30 10 IDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1771538328 BCDIIRNAHXPIMZ-RBUKOAKNSA-N 429.546 1.617 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1772567159 QSAKRWLZLAGOGS-MSOLQXFVSA-N 428.541 1.872 30 10 IDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850807999 FYCFYRXLFKMGKC-KRWDZBQOSA-N 428.917 1.690 30 10 IDEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1c(C#N)c(C)nn1CC(F)(F)F 1851697440 OHRXZNLIWPXBCU-UHFFFAOYSA-N 439.398 1.651 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3cc(F)c(F)cc3F)C(=O)O2)CC1 1856598123 XMFDSJDLWLYXGQ-OAHLLOKOSA-N 431.392 1.630 30 10 IDEE N#C[C@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C(=O)[C@@H]1CCOC1)CC2 1857232281 RWSOSEQZEREOFH-GDBMZVCRSA-N 429.498 1.453 30 10 IDEE N#Cc1ccc(CN2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C(=O)C2)cc1 1857388662 NNVRVDGGRXCFFL-UHFFFAOYSA-N 429.473 1.732 30 10 IDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccccc2)cc1 1858965999 XBSONMADGIJQQY-UHFFFAOYSA-N 431.470 1.334 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 1993260288 UACKPBDLQJWQTH-CQSZACIVSA-N 431.505 1.894 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2060624933 DRAMADJRMSBNOT-WMLDXEAASA-N 434.342 1.876 30 10 IDEE N#Cc1cccc(C(=O)N2CC[C@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)c1 2066583371 JDHXDZBYQZEBRK-SFHVURJKSA-N 426.498 1.027 30 10 IDEE C#CCN(CC(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO)C(=O)OC(C)(C)C 2214631522 CUXXNWATTIKAMU-ZACQAIPSSA-N 437.537 1.543 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CO1 2243387022 LYHWFZNSGWNDOQ-LLVKDONJSA-N 425.316 1.723 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C 2255652970 BYFBGZBTWVHXNJ-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255656112 WFULODJSJPDYTB-UKRRQHHQSA-N 436.314 1.848 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267115799 LOBQURWKBVIWTC-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN(C(=O)OC(C)(C)C)C1 2267272201 XMJSWVOAZDBOOP-UONOGXRCSA-N 449.361 1.490 30 10 IDEE Cc1nn(C)c(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2267519781 IRRSXENTEXWWED-UHFFFAOYSA-N 446.357 1.863 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2267597641 SKLPAQXHUFKWQG-AWEZNQCLSA-N 449.361 1.491 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1C 2315527746 ZEQKARHIEPHWCY-KGLIPLIRSA-N 434.346 1.671 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C 2337322887 BJDORFWOENEIFO-PEBXRYMYSA-N 446.357 1.767 30 10 IDEE C#CC1(N(C)C)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2370152495 YQFSYAHIPKHXDK-UHFFFAOYSA-N 431.558 1.812 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cn1 59830146 BSBPEFHALUFQIL-UFWORHAWSA-N 442.465 1.459 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 105871943 FEABXDYGUZOSBN-UHFFFAOYSA-N 436.491 1.862 30 10 IDEE N#Cc1nccnc1O[C@H]1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 219985476 JXTCOKSWRJOPLW-HNNXBMFYSA-N 425.470 1.026 30 10 IDEE C[C@@H](C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)n1cnc(C#N)n1 409611696 JJQHHTURRNNTTI-NSHDSACASA-N 428.927 1.349 30 10 IDEE C[C@H](C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)n1cnc(C#N)n1 409970734 KUNRMKBRSAPLJR-GFCCVEGCSA-N 437.287 1.767 30 10 IDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cc21 427083223 YCMSJYBTUQEEHS-HXUWFJFHSA-N 429.480 1.714 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCOC2CCOCC2)CC1 466049952 WQTOGGLSGADIEM-UHFFFAOYSA-N 436.534 1.160 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccon1 480952561 NJRMIKOSJYILER-UHFFFAOYSA-N 433.445 1.934 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)C2=O)cc1 487275567 KQHITGRZKYOAFV-NHCUHLMSSA-N 449.486 1.899 30 10 IDEE CN(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 493522085 HXMRARFWQWWSJP-UHFFFAOYSA-N 434.543 1.319 30 10 IDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 504548664 XVDGHHHLZCAJGO-CYBMUJFWSA-N 436.540 1.729 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C4(c5cccc(C#N)c5)CC4)CC3)C2=O)n(C)n1 506854302 BWKRBKCIHJQUOW-NRFANRHFSA-N 446.555 1.972 30 10 IDEE CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1 507785056 QFJDCMVDWJBLGZ-UHFFFAOYSA-N 441.576 1.460 30 10 IDEE N#Cc1cc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)ccc1F 518713798 GATUTIXIBROKJG-UHFFFAOYSA-N 434.468 1.573 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CCO1 519273024 DAIBYWBQMRVTBU-HIFRSBDPSA-N 428.308 1.353 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC1 522842910 SRAKACRFQWBVTH-UHFFFAOYSA-N 433.406 1.813 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1Cc1ccon1 532447834 XYJIFKAWJPJCPK-UHFFFAOYSA-N 449.488 1.590 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1[C@H](C)c1ccccc1 539598824 UCLVFFXUVAJYPT-OAHLLOKOSA-N 434.521 1.480 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(C)C 540697431 RYNURVWFBWBBDJ-UHFFFAOYSA-N 428.558 1.697 30 10 IDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CC3)[C@@H]3CCCC[C@H]32)CC1 549560759 UFZAYNGMESXJHG-HZPDHXFCSA-N 426.564 1.182 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 549873403 SLCGHEKVEKNDKS-FQEVSTJZSA-N 435.532 1.420 30 10 IDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)c1OC 552806693 IDJKKFUOAJSAPS-UHFFFAOYSA-N 445.497 1.873 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 568074743 PALHQIPCUJQBJB-IKGGRYGDSA-N 425.555 1.050 30 10 IDEE C#CCn1nc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c2ccccc2c1=O 585170801 QUEPRMZJOXSKSR-MRXNPFEDSA-N 430.464 1.708 30 10 IDEE C#CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 729330755 DNSDWFUIKMYBKT-DLBZAZTESA-N 441.347 1.665 30 10 IDEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCNC(C)=O)c1 730138292 KRMSMAWNMOWPFA-GOSISDBHSA-N 433.578 1.385 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)CCN1C1CC1 732706645 MAYUIDITCNIHRE-CQSZACIVSA-N 444.293 1.167 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC(=O)N2C)cc1 734963037 AUMXRRLGBSPMEY-UYAOXDASSA-N 427.482 1.732 30 10 IDEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O 741454515 JRGVUSPXOQIPRP-KRWDZBQOSA-N 449.552 1.494 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1[C@H]1CCOc2ccccc21 742144338 GSWYQUDYROZSTM-IBGZPJMESA-N 425.473 1.956 30 10 IDEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 745812662 BVYQLCWPKMHQNV-QBEKEKFNSA-N 426.521 1.023 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 746171880 AYWQYRQBKUSSPI-MRCUWXFGSA-N 442.907 1.548 30 10 IDEE COc1cc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc(OC)c1OC 749285391 VHYNKKTXZBDEGV-UHFFFAOYSA-N 446.529 1.554 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(C)C)cc1 751921202 FFIXBJAUKQQTAM-CRAIPNDOSA-N 447.605 1.944 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 753874371 TVSKVLBMXRDLCB-LJQANCHMSA-N 437.481 1.431 30 10 IDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)c1C 763884501 NFJSFWJBKYTGEN-UHFFFAOYSA-N 431.518 1.581 30 10 IDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 768190129 DVXABZRBFWSOIW-UHFFFAOYSA-N 428.514 1.913 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)c1cccc(Br)c1 771205567 SNSSULHDCZEAAB-AWEZNQCLSA-N 438.303 1.337 30 10 IDEE COC(=O)C1=C(C(=O)c2cccnc2)[C@H](c2c(Br)cnn2C)NC(=S)N1 783807454 LTDJDFBEMWYJQR-LLVKDONJSA-N 436.291 1.406 30 10 IDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=Cc4cccc5ccccc45)n3)[nH]c2n(C)c1=O 1083911086 PKRUYCYIWDTRQJ-UHFFFAOYSA-N 447.484 1.829 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 1132249255 IQZRAEABXLWRHL-HNNXBMFYSA-N 432.454 1.533 30 10 IDEE COc1ccc(-c2nn(CC(=O)N3CCN(c4ncccc4C#N)CC3)cc2C=O)cc1 1136106964 ABHJZXJNVZYKLG-UHFFFAOYSA-N 430.468 1.987 30 10 IDEE CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136731716 FLHJJWJROIXEBU-WBMJQRKESA-N 427.523 1.799 30 10 IDEE Cc1cc(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)ncc1C#N 1175428630 REOJSYLPWQZBEQ-NXHRZFHOSA-N 441.488 1.916 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc21 1176968305 GRQYTLXTPBHOPP-CQSZACIVSA-N 439.472 1.866 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(OCCO)CCCCC3)CC2)cc1 1179858038 KCLMGQKUDVIYAM-UHFFFAOYSA-N 449.573 1.787 30 10 IDEE C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1181001487 USDDAZIVCDEDJM-PICKXAKRSA-N 429.477 1.263 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)OC)cc1 1181192020 FDMPJABZQDXPFN-LJQANCHMSA-N 430.482 1.597 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1C 1286291129 VWSLHZUYVUSJKD-HNNXBMFYSA-N 431.504 1.871 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1286415660 ISUGRSXKIKBXKP-UHFFFAOYSA-N 433.472 1.150 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cnn(C)c2C)CC1 1286491460 SKRXNIOJOKTRBZ-UHFFFAOYSA-N 432.532 1.320 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[C@@H](C(N)=O)C1 1286782137 LPCAJOZQYOSYSI-OAHLLOKOSA-N 428.562 1.889 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286783216 HGAOZNIBNTZAIT-GFCCVEGCSA-N 426.930 1.165 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1 1286820209 HBXLLJVGYNIZOD-QGZVFWFLSA-N 439.582 1.255 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCOC1 1286822104 YZNYHPOYJQMQIR-AWEZNQCLSA-N 426.489 1.973 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCO[C@@H]1C 1300282262 GPKGELMQEAYDHJ-GCKMJXCFSA-N 447.561 1.193 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC1CC1 1300298897 IJYNMCZZRGLHGX-AWEZNQCLSA-N 429.550 1.222 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCCC(C)C 1300309463 HGSVZEGQEIWGMF-DLBZAZTESA-N 427.571 1.132 30 10 IDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300468023 QOQGUBUSQPDRKF-UHFFFAOYSA-N 425.514 1.816 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300482726 GQCYUQOAYOZWRI-LJQANCHMSA-N 438.594 1.862 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1300487021 DMRMJHWXXANHFC-OALUTQOASA-N 442.589 1.699 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1300509606 PYFPNUIFDZIIAH-INIZCTEOSA-N 431.566 1.170 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1300512948 OPEGJVVZMJXKNZ-NZQKXSOJSA-N 429.565 1.360 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1300663985 MGDCWFCCPLJOJT-FQEVSTJZSA-N 436.560 1.414 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1301569203 SSTNEVSUSGQRQV-UHFFFAOYSA-N 449.577 1.527 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCCC)CC1 1301584944 GROVSDRDIIRNHI-IAGOWNOFSA-N 439.582 1.616 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC=C(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302291593 DCEIGEPWYQOOEE-YYVVQBKYSA-N 442.520 1.685 30 10 IDEE CC(C)(C)c1csc(CC2(O)CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)n1 1302517544 OPJLGBMFTDNCTD-UHFFFAOYSA-N 445.545 1.561 30 10 IDEE COCc1ccc([C@H]2COCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)o1 1303873543 FAAWSQYLNVYIHD-RDTXWAMCSA-N 433.486 1.565 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1sncc1Br 1303977655 CBONLNZDYDWUIW-SECBINFHSA-N 429.321 1.760 30 10 IDEE C#CCN(C(=O)NC[C@]1(OC)CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1313319964 SLZVSZBXEHQXAC-HXUWFJFHSA-N 443.566 1.234 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1316145458 VXWSXDVDEUAYQF-UHFFFAOYSA-N 436.476 1.227 30 10 IDEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C1 1316146802 ODUVEKHLITWZOE-LPHOPBHVSA-N 440.548 1.955 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1358889844 HNEYKZYCGDRHEL-ULQDDVLXSA-N 425.555 1.028 30 10 IDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC#C)CC1 1358910203 HRNZAJUZMJJBOU-UHFFFAOYSA-N 439.589 1.797 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358924727 GUKDXHLZVQRLFE-OAQYLSRUSA-N 431.544 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1358993143 GULLOJZEHQWSNR-HXUWFJFHSA-N 426.542 1.838 30 10 IDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359134464 WZFQRDKDXQDCMG-UHFFFAOYSA-N 427.553 1.890 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C 1359265080 XQZBHLWDRLASSL-SFHVURJKSA-N 429.569 1.806 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359302119 XHJNWEQETRYIFJ-UHFFFAOYSA-N 447.474 1.845 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CCC(C#N)CC2)CC1 1359402347 XJLDDNDXTGMCEH-UHFFFAOYSA-N 427.578 1.834 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1360359617 HNYDDIVWTBVLQG-INIZCTEOSA-N 444.351 1.468 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2ccc(Br)cc2)CC1 1455115913 VAXBVSBFDICLLX-UHFFFAOYSA-N 432.365 1.153 30 10 IDEE CCOc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1OCc1cccnc1 1457192409 FUUNUFGHYZFGOE-UHFFFAOYSA-N 447.451 1.890 30 10 IDEE N#Cc1ccc(OCC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Br 1458285877 DFTLYGJGRZHAMY-GUYCJALGSA-N 443.319 1.552 30 10 IDEE CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CCN1CCOC 1499642884 SCXJDVQUZNFTOZ-MRXNPFEDSA-N 429.525 1.476 30 10 IDEE NC(=O)CCC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1505333587 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HIMSOYQORFEUPD-QHAWAJNXSA-N 432.613 1.837 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1509210327 BSMBJZDVKYGIHA-GOSISDBHSA-N 443.577 1.505 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1516179168 GRTXEOZEOVTYAA-HTAPYJJXSA-N 430.553 1.975 30 10 IDEE C#CCN(c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1520305502 NFEWKOHRYHIPPC-INIZCTEOSA-N 434.543 1.161 30 10 IDEE C#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1529683219 AUAPNFLCHNOLRM-INIZCTEOSA-N 436.530 1.600 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(F)c(I)c3)C[C@H]1CS(=O)(=O)C2 1536179184 CXEWWDSAUVGPPP-HZMBPMFUSA-N 434.230 1.441 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1539212382 VQRKDUWKUBUJQE-RBSBEOHCSA-N 446.598 1.873 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(OCC)c2)CC1 1539446746 ICALKTMOOKRFRA-LJQANCHMSA-N 443.573 1.382 30 10 IDEE C=C(C)Cn1c(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)nnc1[C@]1(OCC)CCOC1 1539733596 GVQQIJZEQFHELZ-JTSKRJEESA-N 443.552 1.904 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539751511 OMTSFHPKNJRVGS-KRWDZBQOSA-N 429.525 1.352 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539909709 PMWCGHUCZJDTIG-UHFFFAOYSA-N 439.524 1.784 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1540866898 DPYSSDSDSCADRN-MRXNPFEDSA-N 442.520 1.369 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540907003 IZCNOCFQKGIOLW-CQSZACIVSA-N 435.516 1.904 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540907124 LZWXGEQBCRTELI-IBGZPJMESA-N 448.593 1.550 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 1542294153 QAHONQJOANYDPC-SFHVURJKSA-N 427.523 1.061 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1554121983 DNXLXZBMNFOMJC-QGZVFWFLSA-N 430.534 1.751 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC)nc1OC 1555637133 PKICGZQJUAXHSJ-VBKZILBWSA-N 434.472 1.905 30 10 IDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1OC 1558604837 YNHCRBOFRGFGAR-FQEVSTJZSA-N 445.497 1.454 30 10 IDEE C#CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CC1 1585875889 FKZVIUUUVNVVAG-SFHVURJKSA-N 431.558 1.942 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1587702188 PNIXQIASSGZYHG-SFHVURJKSA-N 429.569 1.802 30 10 IDEE C#CC[C@@]1(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 1587724326 XCOIZYTXLBUMPJ-HXOBKFHXSA-N 432.565 1.591 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)n1 1588722745 DZQXOSMELHFLHS-KDURUIRLSA-N 443.596 1.957 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588780980 ZLMLJSDLLONZKH-PZJWPPBQSA-N 425.533 1.760 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1593746428 DXUXPMNNHAETSD-QGZVFWFLSA-N 427.571 1.440 30 10 IDEE C=C1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594121887 ICYGWMQDAJXRQS-OAQYLSRUSA-N 432.546 1.606 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595593533 FQMDBXIYXOSNBY-QZTJIDSGSA-N 440.548 1.841 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1595812471 VJVXQWOYUGIMTK-KRWDZBQOSA-N 447.536 1.420 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595844642 GEKWBYBBCAABNA-HDMKZQKVSA-N 445.611 1.192 30 10 IDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1596978295 MGBNYSWAXIYNFO-DHSIGJKJSA-N 449.558 1.146 30 10 IDEE N#Cc1cn(CCC(=O)NCCCN2CCN(c3ccccc3Cl)CC2)c(=O)nc1O 1597647031 KENHSJZLHRGJSC-UHFFFAOYSA-N 444.923 1.193 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3nn(-c4ccccc4)cc3Br)C2)c(=O)nc1O 1607497117 BRDKMWPZPOARLR-UHFFFAOYSA-N 441.245 1.466 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1611286547 HQGMFIFGNQOXDY-OAHLLOKOSA-N 433.534 1.628 30 10 IDEE COc1ccc2c(n1)N(C)CCN2C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1616834226 ZTOKCIXPFUWQRA-INIZCTEOSA-N 434.456 1.650 30 10 IDEE CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617327270 RNASFFWMARATGG-QGZVFWFLSA-N 449.606 1.245 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C[C@@H](C)O1 1619733350 DHBDUIUZYGAIDB-APWZRJJASA-N 427.505 1.598 30 10 IDEE CC(C)[C@@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)N(C)Cc1nnc2n1CCC2 1626682087 XAWUYABPQQJYNL-NHHWLVAYSA-N 427.480 1.745 30 10 IDEE C#CCN1CCC(C(=O)N2CCc3nc[nH]c3[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 1629969252 ABQWQSBIGQSEJA-HSZRJFAPSA-N 427.549 1.976 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2ccc(C)cc2Br)CC1 1632960137 AULHTTQQFRSZMU-UHFFFAOYSA-N 444.351 1.138 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)s1 1635515002 VSHFJLMZIBQHMW-CYBMUJFWSA-N 432.589 1.371 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1635607675 VLWUGUJHBYKFME-UONOGXRCSA-N 439.317 1.170 30 10 IDEE Cc1cc(C(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)ncc1C#N 1638977495 UNYJHPBPAOZOLF-KRWDZBQOSA-N 427.505 1.946 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)OC)c1 1640716004 REEDZKHDVUBQRS-FQEVSTJZSA-N 427.478 1.929 30 10 IDEE CN(C)CC#CCNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1643409945 ZZSZBNWOUCIHDH-CYBMUJFWSA-N 426.468 1.692 30 10 IDEE C=CCc1cc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc(OC)c1OC 1646221692 HDESWTHZWHBSMU-TZQQIIETSA-N 436.530 1.373 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@@](C)(Cn2cccn2)C(N)=O)n(-c2cccc(F)c2)c1C 1648579737 SXIHRDMBJSNGDH-QFIPXVFZSA-N 437.479 1.774 30 10 IDEE CN(C)S(=O)(=O)c1cc(C(=O)NCC2(C#N)CCOCC2)ccc1Br 1648678363 ASUIVDVQSRGMEI-UHFFFAOYSA-N 430.324 1.750 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1653522520 MNXGPHDZGKBXRT-UHFFFAOYSA-N 446.573 1.270 30 10 IDEE N#Cc1c(NC(=O)CCN2CCN(C[C@H]3CCCS3(=O)=O)CC2)sc2c1CCC2 1655339238 ZVLJBNMXGPMKEV-OAHLLOKOSA-N 436.603 1.632 30 10 IDEE CN(C)C(=O)c1ccnc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1660653713 ABBAXLVQNCMNSF-UHFFFAOYSA-N 442.501 1.193 30 10 IDEE 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C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncc(CC)s2)CC1 1705632253 KXCJIHZOWIZQCW-UHFFFAOYSA-N 436.545 1.748 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS2)CC1 1705651265 PPTIGOLLRQUPBN-QGZVFWFLSA-N 430.578 1.262 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1705754705 DMIFDXGVSUEXJS-ZIAGYGMSSA-N 433.962 1.367 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@H](C)CC)CC1 1705781056 OHFGXKRTWJCSOY-HUUCEWRRSA-N 426.587 1.596 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1705819888 WNMBUSLSOPYKOS-AEFFLSMTSA-N 439.582 1.583 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ncc(C)s1 1705843641 KMLZMPJGZZMSET-DZGCQCFKSA-N 440.595 1.802 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C)CC1 1705907187 CWHLRZLZXBWGOF-UHFFFAOYSA-N 437.548 1.338 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2)C1 1705914668 DHTBLFAGFUOQLZ-CRAIPNDOSA-N 435.550 1.727 30 10 IDEE 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C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccccc1F 1751141287 BTSIFRCVKORXAN-OAGGEKHMSA-N 449.508 1.516 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1752550766 FQJHRFSSEZQGHQ-REDKUUPNSA-N 426.521 1.565 30 10 IDEE C#CCN(c1nnc(C)n1CC1(CN2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 1760180732 KGEKBZDXTQHDSA-FQEVSTJZSA-N 449.621 1.496 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760193168 VQUWRHGJOWOTML-BSDSXHPESA-N 438.594 1.858 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760193388 YPIOPFOAMQRVSY-BRWVUGGUSA-N 438.594 1.594 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCC(C)CC2)CC1 1760264975 IYXGZEMIZXEFCO-VXKWHMMOSA-N 444.624 1.879 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCNC(=O)c2occc2C)CC1 1760269013 VMZFLZADMAPDFS-UHFFFAOYSA-N 438.532 1.843 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760287297 NABKHVRXJZWAOG-RYLXDESZSA-N 436.578 1.753 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760348886 PUMDNMSGQHJVHP-LNLFQRSKSA-N 443.552 1.976 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760353892 IYNACYBBWZHMJG-KRWDZBQOSA-N 434.928 1.928 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1760359295 DXDAREVSWCGEKK-LJQANCHMSA-N 431.541 1.074 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760445373 HVQNSEYCIBBPRE-LSDHHAIUSA-N 428.449 1.632 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760525773 QTYXLXUMQROCAI-IBGZPJMESA-N 447.547 1.461 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)C)C1 1760536316 GTXBBPDGIUZTGW-CQSZACIVSA-N 437.342 1.916 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccco1 1760549149 XKQWBEMFDQEQAC-UHFFFAOYSA-N 430.490 1.756 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1760695320 FRKNAHZTLAOSBW-LSDHHAIUSA-N 435.529 1.271 30 10 IDEE CCCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1765890564 FUPCWFXNQKSOIC-SFHVURJKSA-N 438.536 1.919 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1767571382 HFKULJQVNRQXQU-RDJZCZTQSA-N 444.561 1.460 30 10 IDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1769585827 CFAAFIAEJVJBSC-WAOWUJCRSA-N 440.548 1.921 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COc2ccccc2O1 1769837406 LRUVTUIMLWYFMY-KRWDZBQOSA-N 440.504 1.721 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)(F)F)CCO1 1771538638 GAWWETJLCDHHAK-GFCCVEGCSA-N 442.373 1.403 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@@H]4CN(S(C)(=O)=O)C[C@H]43)n[nH]2)c1C 1849760997 IMVBGOCSCFDTJS-CRAIPNDOSA-N 432.550 1.572 30 10 IDEE Cc1cc(C)c(C#N)c(C(=O)N=c2nc(N3CCN(c4ccc(F)cc4)CC3)n(C)[nH]2)n1 1851584998 JSVVPQZNDYANHA-UHFFFAOYSA-N 434.479 1.839 30 10 IDEE Cc1nn2c(C)c(C(=O)OCCN3CCN(C(=O)OC(C)(C)C)CC3)cnc2c1C#N 1852035300 HNJOOCRPCBHCAR-UHFFFAOYSA-N 428.493 1.927 30 10 IDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1856430440 HFTFVJSJBBWQQT-LJQANCHMSA-N 432.546 1.838 30 10 IDEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1857016899 NGDPPRQQABGZKC-CVEARBPZSA-N 431.514 1.247 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CCc3ccc(F)cc3F)C2)CC1 1857065929 CNGHDXLKTYXTQN-MRXNPFEDSA-N 439.484 1.838 30 10 IDEE O=C(NCCCO)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931721 FWRRZQLAKACGSQ-KRWDZBQOSA-N 433.555 1.526 30 10 IDEE CCn1nnc(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1881502052 VCJGKUMWAMYDNP-RYUDHWBXSA-N 428.335 1.505 30 10 IDEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC(COc3nccnc3C#N)CC1)CS2 1891306726 ASJOONBSVQUJRR-HNNXBMFYSA-N 426.502 1.568 30 10 IDEE C#CCN(CC(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1895864439 LRPDIAZYKHWBDT-JKSUJKDBSA-N 425.526 1.591 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2136172795 PFERRGNOPRJFLD-IHRRRGAJSA-N 426.267 1.600 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2254790163 IFJBODMWCBCRMU-VYDXJSESSA-N 435.330 1.134 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2255530730 VSMAFJVRUGTUFD-CQSZACIVSA-N 438.305 1.740 30 10 IDEE Cc1c(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255541172 XYSXCAQUKHDTET-ZDUSSCGKSA-N 436.362 1.918 30 10 IDEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2255623685 QLFAZLKAUJHXRS-AWEZNQCLSA-N 434.346 1.801 30 10 IDEE CC(C)(C)OC(=O)NC1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2255645301 OGIHDXZYCBFAPB-UHFFFAOYSA-N 432.330 1.905 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](COCc3ccccc3)C2)n1 2255838392 FNWBDCQHCFCLPN-QGZVFWFLSA-N 426.326 1.793 30 10 IDEE Cn1nc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCC2)cc1B1OC(C)(C)C(C)(C)O1 2255844603 ZGEFYLOQDREOOJ-UHFFFAOYSA-N 434.346 1.897 30 10 IDEE Cc1c(C(=O)N(C)CC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267141051 VDBQIUSPLGEFSQ-UHFFFAOYSA-N 448.373 1.967 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCc1cnn(Cc2ccccc2)c1 2267259641 CIZDSFWUCNCRNQ-UHFFFAOYSA-N 436.325 1.332 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269031417 OBIDOQHMOPPZMD-IBGZPJMESA-N 439.321 1.696 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)OC(C)(C)C)C2)n1 2272632079 CNOKVFJXZGTPGW-LRTDBIEQSA-N 447.345 1.101 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)n1C 2315631322 SULXXRBUKOMHHY-CQSZACIVSA-N 434.346 1.767 30 10 IDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 2327840260 FMABEUJUZCFIMI-AWEZNQCLSA-N 430.534 1.861 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)Cn3cnc4sc(C(N)=O)c(C)c4c3=O)cc21 19978037 WHTZSNLJXZTJQQ-UHFFFAOYSA-N 438.465 1.660 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cscc3C#N)CC2)cc1[N+](=O)[O-] 432047796 OYZFDHISUCHTGX-UHFFFAOYSA-N 436.471 1.683 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(OCC(=O)N(CC)CC)c2)CC1 437922152 LYIKJNONYNOASS-UHFFFAOYSA-N 431.537 1.386 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)cc1 439959182 UCJFEPXDFVCXNQ-UHFFFAOYSA-N 439.497 1.833 30 10 IDEE COC(=O)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(OC)cc1OC 471533191 QNQOSYWGAAUKDJ-FQEVSTJZSA-N 446.481 1.521 30 10 IDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486489315 SFRRCDGJWVGASN-HRAATJIYSA-N 444.495 1.757 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(C[C@H]2CCCO2)c1=O 486820687 PYIKKMMBHHQQRY-QGZVFWFLSA-N 426.542 1.475 30 10 IDEE Cn1cc(-c2nc([C@@H]3COCCN3S(=O)(=O)c3ccc(Cl)c(C#N)c3)no2)cn1 503092209 UUVZWYSTINXILM-HNNXBMFYSA-N 434.865 1.757 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 505322444 GZGOEDVIZNEQGW-IBGZPJMESA-N 443.467 1.379 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 508866936 NECJTSQZLJASHJ-AZUAARDMSA-N 441.532 1.977 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1 512714735 XMWQWLJHFPIFDH-UHFFFAOYSA-N 427.549 1.245 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCC[C@H]2CC(N)=O)CC1 533287518 QMCJXKCGEHASEE-HNNXBMFYSA-N 426.477 1.185 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CCC 543657679 MHILRWXYHKZZFA-UHFFFAOYSA-N 428.514 1.956 30 10 IDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)NC3CCCCC3)n2)c(Cl)c1 543924385 OSIRSGUITIXXOC-UHFFFAOYSA-N 428.880 1.901 30 10 IDEE N#Cc1ccc(OC2CCC(NC(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)CC2)nc1 548187299 FIFLRFZWPRZVOM-UHFFFAOYSA-N 447.561 1.899 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCO1 549472155 HRVYQFNHSPNFMU-DOTOQJQBSA-N 432.550 1.970 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NCCc2ccccc2)nc1C 586347467 HBJHLSBPAHBTDM-SSEXGKCCSA-N 449.554 1.840 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2OCCN2CCCC[C@H]2C)CC1 591067461 FZNHKRFLCOBICS-HXUWFJFHSA-N 428.577 2.000 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCCCN3CCN(c4ncccn4)CC3)cc2C1=O 591215008 AUMOVEPPHOIXRV-UHFFFAOYSA-N 448.527 1.591 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 610548800 GGNFVHIDFNATCD-GOSISDBHSA-N 442.472 1.336 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)nn(C)c3C)c2=O)cn1 726962198 PYDIRKFAJPTNAQ-UHFFFAOYSA-N 449.536 1.525 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 732464947 ALGUGICHAREHKI-VXPUYCOJSA-N 445.907 1.263 30 10 IDEE N#C[C@H]1CN(Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)CCN1C1CC1 732672085 CQJYRKUZNFSZCO-ROUUACIJSA-N 433.582 1.059 30 10 IDEE Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706091 DZUUSVYWGQUXDJ-GOSISDBHSA-N 441.557 1.321 30 10 IDEE COC(=O)CCSCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732707122 VYKSELWRYDMRGV-SFHVURJKSA-N 430.530 1.620 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(CCc3ccc4c(c3)OCCO4)c2=O)cn1 735067912 BIEGYCCONUMHNL-UHFFFAOYSA-N 447.520 1.557 30 10 IDEE COCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735225394 IVOWBXYXRCNPJI-QGZVFWFLSA-N 436.534 1.451 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1C[C@H](O)C[C@H]1C(=O)O 757274028 GKQNLYVLLDKJKI-YDFBLROQSA-N 448.475 1.963 30 10 IDEE CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 765865656 YSNNIXQSWABQLE-SFHVURJKSA-N 447.561 1.148 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774058508 OLKYOOHSVMBKKX-QGZVFWFLSA-N 441.575 1.665 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)nc1 779858476 GFQZPUDFNXHFIL-HSZRJFAPSA-N 435.484 1.687 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)ccc1F 787738890 XCQZGROJTNKESE-BUXKBTBVSA-N 436.461 1.871 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc1C#N 788017089 UEIQWQILLRKJDC-GOSISDBHSA-N 435.528 1.510 30 10 IDEE CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2C[C@H]2C2CC2)C1=O 797426821 NWRQEOUJJALZSF-JROWVSLJSA-N 436.559 1.069 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@H](CO)c2cccnc2)c1 806218193 RYUTVUORMRYOAV-KGWRKDBXSA-N 431.518 1.792 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(Br)C1 812184615 QLEHPJQBCJQMFX-CQSZACIVSA-N 446.371 1.676 30 10 IDEE COc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)c(OC)c1 916179730 UEBJONMECYOAPJ-INIZCTEOSA-N 443.481 1.575 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3c(Cl)nc4sccn34)nc2)CC1 916330859 COJBIKNCWMYWOA-UHFFFAOYSA-N 439.954 1.826 30 10 IDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnc(C)s2)c1=O 917768797 NDICGKUYBUQGCT-UHFFFAOYSA-N 441.534 1.716 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)c1OC 1127854158 NCUXKJVNNQQTGT-SWLSCSKDSA-N 435.527 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)nn2)C1 1133300906 VTAAYTFONKIKMX-QGZVFWFLSA-N 435.488 1.940 30 10 IDEE CCOC(=O)c1ccc(NCCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc1 1159336210 MSILLTNXOYWAGS-UHFFFAOYSA-N 430.486 1.273 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@H](O)CC4(CCOCC4)C3)C2=O)cc1 1175501895 UZOOLHFSFHXUEO-QZTJIDSGSA-N 426.473 1.153 30 10 IDEE C#CC1(O)CN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)C1 1176792636 FVOXGVZCRRECTL-UHFFFAOYSA-N 425.938 1.523 30 10 IDEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)cc1S(=O)(=O)NCC#N 1179739441 LSSCOIIFVANDTA-HOTGVXAUSA-N 434.518 1.631 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)c(Cl)c1 1251450852 IGDSCAOGVPJACL-OAHLLOKOSA-N 427.896 1.818 30 10 IDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 1286322833 DIXYZMGESZCHMB-UHFFFAOYSA-N 449.515 1.692 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)CC1 1286564940 OASQSJKRBYLXIC-HKUYNNGSSA-N 434.566 1.356 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286715560 ZXUPZTRSBOHTJO-VQIMIIECSA-N 448.593 1.125 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2[nH]1 1286787651 HTTJTPXYQZOHGR-INIZCTEOSA-N 442.545 1.600 30 10 IDEE CC(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 1287606356 NMRYCEUJZWMZSX-MRXNPFEDSA-N 446.581 1.528 30 10 IDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1295959432 GRIJAQBCMFRUDI-MRXNPFEDSA-N 426.506 1.100 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)c1 1299293248 RCPOKZUWZVGXPB-UHFFFAOYSA-N 435.527 1.409 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1300268966 XMPYOQWICCYWLA-HRAATJIYSA-N 445.545 1.155 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CCN1CCCS1(=O)=O 1300673311 HTDZYGKDEMXBEA-UHFFFAOYSA-N 431.562 1.299 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1300701354 PNRDEFKITBAPMM-FPOVZHCZSA-N 427.524 1.815 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1300766203 WSECEYPJFACLGT-UHFFFAOYSA-N 449.602 1.326 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)nn(C)c1C)C1CC1 1301327495 USBJLSHQJDBXNH-SFHVURJKSA-N 449.581 1.164 30 10 IDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301425253 FLFSFVPJFBITAQ-AVRDEDQJSA-N 433.553 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301481226 JRRPSKJMNKXFLL-CEXWTWQISA-N 441.532 1.482 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301497461 XOCMHTJPUSEPOO-UHFFFAOYSA-N 440.458 1.642 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1301499949 HLKBMJQYSJVREE-SCLBCKFNSA-N 431.459 1.614 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1301529431 JLVUNGURJYZUPA-KRWDZBQOSA-N 439.520 1.243 30 10 IDEE COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 1301658993 CTMLQYOXWAQOHJ-OALUTQOASA-N 441.536 1.632 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1301727473 DDEDNDIPYHAPQK-FDDCHVKYSA-N 440.548 1.779 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3c(C)nn([C@@H](C)CC)c3C)[nH]n2)CC1 1302921763 SDFNSRUQLXGURO-AWEZNQCLSA-N 447.565 1.086 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1302979482 QRWJMGYKGWTPJW-YZVOILCLSA-N 428.459 1.580 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O)[C@@H]1[C@H]2CCC[C@H]21 1314701117 LBXIJGURSJGFIK-DZFIZOCASA-N 430.534 1.513 30 10 IDEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 1354360886 RBDHUQJRTJWZJT-LTXLMFNASA-N 444.517 1.673 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C3CCOCC3)nn2C)c1 1356457411 CAAUANPPUJZNFS-UHFFFAOYSA-N 436.512 1.801 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1358946727 GTKKEYRXXKSVJV-UHFFFAOYSA-N 436.516 1.676 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358960806 MINMKXAFIXPHGI-KRWDZBQOSA-N 425.518 1.057 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1OC 1359003183 BBAMIXSOEGDLEI-MJGOQNOKSA-N 432.546 1.860 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COCCOC)C1 1359076250 WPIVULRYXZCHPE-OAHLLOKOSA-N 442.358 1.912 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 1359209069 ZTCYHGAPOKFFKD-QGZVFWFLSA-N 440.614 1.403 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCOCC1 1359279778 SDPPEBPNEIKDKQ-UHFFFAOYSA-N 430.505 1.897 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1359297928 HEELTYQUFXKDNA-UHFFFAOYSA-N 425.518 1.599 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCn2ccnc2C)C1 1359321207 BXMZZBGZAULDAE-OALUTQOASA-N 448.593 1.947 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@@H](C)C1 1359328745 NGCWSRDETDZYPH-INIZCTEOSA-N 448.549 1.985 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359331114 NPEMYGUKRCUXIW-QGZVFWFLSA-N 442.549 1.583 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3coc(C#N)c3)CC2)cc1OC 1360261878 JZHDJNWNVXUQQG-UHFFFAOYSA-N 433.486 1.999 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cn1 1440355709 WGNQMQPXXPYDTA-UHFFFAOYSA-N 449.330 1.791 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1440783355 LOLSWGIATXKGAV-WMZOPIPTSA-N 435.569 1.775 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1452477262 OVJVPDWFDNDZJA-CJNGLKHVSA-N 445.463 1.490 30 10 IDEE C#CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1455808682 AMUCGYGBPDZLAZ-INIZCTEOSA-N 425.526 1.733 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2C)CC1 1465537079 SKQWWMHGBBGMQE-UHFFFAOYSA-N 434.440 1.553 30 10 IDEE C=CC1(CC(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 1467275761 ZYPLJSLJIIAPFW-UHFFFAOYSA-N 444.550 1.426 30 10 IDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 1467699955 OGUKBNVJUQFOLC-HKBOAZHASA-N 432.952 1.929 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 1469107151 DZHJJMXQHGAERD-HXUWFJFHSA-N 426.498 1.989 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)CN1CCCCC1 1469179459 LMHFWNFZYXSZAP-FUHWJXTLSA-N 436.578 1.247 30 10 IDEE C[C@H](CC(=O)NC[C@H]1CCCN1CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1471755164 CYNKCXNRAUQSLT-CHWSQXEVSA-N 432.468 1.647 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(c2ccccc2)CC1 1507576013 VMBAKPKANJDEGO-KRWDZBQOSA-N 431.562 1.790 30 10 IDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1507586129 WNCMCXGUWSSGTN-UHFFFAOYSA-N 449.559 1.694 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCN(C(C)=O)CC1 1507609516 ZGQQRHBICFOONJ-UHFFFAOYSA-N 430.940 1.841 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507638819 HACWSWHUNFVGII-OAHLLOKOSA-N 436.509 1.394 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1Cl 1507703005 PLIQTSAQKINYJF-CYBMUJFWSA-N 443.932 1.815 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507856023 CYNHTBPUJBJVSD-AWEZNQCLSA-N 444.966 1.724 30 10 IDEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1C 1510954556 CXAJTIKEYLYYMK-LAUBAEHRSA-N 447.561 1.762 30 10 IDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1513978874 IXFWLUNJYYFKLV-PGRDOPGGSA-N 440.504 1.249 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 1516220737 FNJIYNQHLBVDRT-NNMXDRDESA-N 448.568 1.016 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(C)(=O)=O 1519336512 XFHSTJDKXKXNCV-QRQLOZEOSA-N 447.561 1.790 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1519605818 FVZXWRNZMYSHQP-HXUWFJFHSA-N 430.534 1.373 30 10 IDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)CC1 1521109460 BEBIRRQDAFMISM-IBGZPJMESA-N 429.569 1.491 30 10 IDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)nn1 1522451827 ACCMIUVDGTZZCM-UHFFFAOYSA-N 449.533 1.915 30 10 IDEE C=CCOc1ccccc1CN(C(=O)Cn1cnc(C(N)=O)n1)c1ccc2c(c1)OCO2 1523443538 HKYDGFBIDUPYSB-UHFFFAOYSA-N 435.440 1.904 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1528153759 ODDCLDHBBMYDBJ-LBPRGKRZSA-N 433.313 1.489 30 10 IDEE N#C[C@@]12CN(C(=O)Cc3cc4c(cc3Br)OCCO4)C[C@H]1CS(=O)(=O)C2 1538540425 WKOVJCVMZRDONU-SJCJKPOMSA-N 441.303 1.160 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)CCNC4=O)CC2)cc1 1538797373 FGNDNHSVDSIEOY-UHFFFAOYSA-N 438.509 1.884 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1539013814 JYWZPVIDRKPIDB-CVEARBPZSA-N 436.559 1.112 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539045284 RSCNDOQMGNLUDA-UHFFFAOYSA-N 441.580 1.062 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1539095044 YVIUNSXLQNHNEF-CRAIPNDOSA-N 448.597 1.427 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1539218830 DXNYNOYSYKFYFV-QBPKDAKJSA-N 440.591 1.168 30 10 IDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1539361882 HWCUHAVGRNEZMR-UHFFFAOYSA-N 427.553 1.491 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1539384661 BRKYSSVBOALESX-CPUCHLNUSA-N 447.875 1.518 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1539430822 OIKCVFPMENMPKY-NZQKXSOJSA-N 430.597 1.417 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)CC1 1539434558 NAHQGRUCNOXETH-UHFFFAOYSA-N 438.576 1.820 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(C)CCCO2)CC1 1539469707 UWMALERAKZAETM-GOTSBHOMSA-N 445.564 1.465 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1539513542 KPLWTBLAMLUBQG-QGZVFWFLSA-N 442.520 1.588 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1540201707 YURFGKMEALGSDL-GCJKJVERSA-N 427.505 1.908 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1540871197 GMJRILRBHNFBOL-UHFFFAOYSA-N 442.539 1.809 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1540898459 KYLKOMCIOSVPKY-LJQANCHMSA-N 437.953 1.901 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)CCOC1 1541733550 RTBWMDUTNOXRRT-AVRDEDQJSA-N 441.536 1.557 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541814034 FVZFKFFOMAAJOE-YISVQYQQSA-N 429.525 1.237 30 10 IDEE CC(C)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1541907643 BCODQZFZNFYGQN-IKGGRYGDSA-N 425.603 1.747 30 10 IDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1548259368 RBEDCKOFKGHUCN-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1555452031 NQBBNEMVODAFLW-WMZOPIPTSA-N 437.504 1.668 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccc(C)c1 1555671016 XHXJCUPYOMPHIJ-IEBWSBKVSA-N 442.520 1.469 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC=CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1555738356 RDXPEDRLWCQBJC-LXMAKODISA-N 428.493 1.295 30 10 IDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2n[nH]cc2C#N)c1 1557134132 GXBQYHBAMBLYJC-UHFFFAOYSA-N 428.268 1.221 30 10 IDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H](O)C(F)(F)F 1559950994 FEWMOXATZRKXKQ-GDBMZVCRSA-N 434.484 1.329 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2=O)cc1 1568507852 HEWUNNWJOGQVQP-SFHVURJKSA-N 447.426 1.276 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1587759181 PXGLCHLABIZYHH-KRWDZBQOSA-N 433.578 1.970 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1588058808 CWIFMWAKLFKUDT-IRXDYDNUSA-N 438.500 1.619 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](F)COC 1588089317 IEYPCLGROVQOJW-INIZCTEOSA-N 432.525 1.604 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1588166835 QTEMSPBNGKAEQH-UHFFFAOYSA-N 437.500 1.221 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(Cc2ccccc2)c1 1588265614 FJADOZSGYZOIOQ-QGZVFWFLSA-N 441.561 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588907696 DHFKYZJMZWNRIQ-MZNJEOGPSA-N 448.527 1.322 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1589482098 GFMZKXGCNIIJQL-VVLHAWIVSA-N 432.525 1.332 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCC1 1602685576 KUAHHPDSCWIUPJ-UHFFFAOYSA-N 430.534 1.904 30 10 IDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNC(=O)C(C)C)cs1 1612410689 PLMLFAAUHVCCPS-SFHVURJKSA-N 442.593 1.583 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)c1OC 1616488142 MRHZYOLBEMKJFL-GUYCJALGSA-N 433.486 1.358 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1617363330 VMANALYGUXNCMT-GOSISDBHSA-N 448.549 1.941 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)ccc1F 1626535299 XJCMSDCMUDSETH-OAQYLSRUSA-N 431.489 1.559 30 10 IDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1629379194 ASHUEYNSUBZDSX-LJQANCHMSA-N 445.497 1.787 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 1629431160 SLHXWQCJTOGISF-ZDUSSCGKSA-N 445.472 1.736 30 10 IDEE CC(C)OCCOC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1629776736 QQIWEODLCMKFPF-MRXNPFEDSA-N 437.562 1.936 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(N2CCNC2=O)cc1 1630740557 DXMSZSDOXUTYMG-CABCVRRESA-N 441.513 1.632 30 10 IDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1631298524 KEWFNAKQJNSEAY-HIFRSBDPSA-N 445.463 1.490 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1632532806 HXEYCENETTWRJI-SJLPKXTDSA-N 431.514 1.972 30 10 IDEE CNC(=O)[C@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CCO1 1633792651 KEQQKBLVTMGSOF-QZTJIDSGSA-N 428.489 1.366 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1635555674 RFSIUWLDHRSRMG-HZPDHXFCSA-N 428.555 1.600 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc[nH]n1 1635830830 CUUSGEOKXXXRNT-CYBMUJFWSA-N 444.366 1.442 30 10 IDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 1639270459 XDWNKRDGTVMIOK-AVRDEDQJSA-N 439.516 1.211 30 10 IDEE COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1642786537 URQRPNVSYMZLDD-OAHLLOKOSA-N 434.440 1.223 30 10 IDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 1642946646 KBVFNFBFWKSTLB-UHFFFAOYSA-N 434.301 1.963 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)n[nH]2)c1C 1647908591 SFXCTSOJQIVJIA-SJORKVTESA-N 430.509 1.786 30 10 IDEE CN(Cc1ccc(F)cc1)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652997723 GFLDHYSPOBEEAC-UHFFFAOYSA-N 430.436 1.021 30 10 IDEE CN1CCN(c2ccc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2)CC1 1671495504 RYGPTDOBDNDQIQ-QUCCMNQESA-N 442.564 1.997 30 10 IDEE C#CC[C@@H](COC)NC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1684305144 XVNDDJHYNNIIMP-MSOLQXFVSA-N 438.569 1.914 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C3CCC3)[C@@H]3CCOC3)CC2)cc1 1684689746 PUJSIHGFOZXJLZ-UYAOXDASSA-N 432.546 1.779 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCc3nnc(S)n3C3CC3)C2=O)cc1 1686083384 ADPSJIHOQADPCT-MRXNPFEDSA-N 425.518 1.811 30 10 IDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 1686525958 REGBOTLIDZBOHW-UHFFFAOYSA-N 441.538 1.889 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1689833173 DYZFHZNRSYMLRB-AYSMAOOMSA-N 430.505 1.969 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1689867461 SNJMUCBKKCFDKW-QEEHTWDDSA-N 443.523 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1690051064 LFWVOTVSLUTZEG-SFHVURJKSA-N 436.541 1.414 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1CC(=O)N1CCOCC1 1690091401 SDXVRWQFJUPNDI-UHFFFAOYSA-N 448.502 1.902 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc3c(c2)CCO3)CC1 1690111991 ODFOKNUQQHLUOM-IBGZPJMESA-N 439.560 1.935 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1 1690170947 RYOIFKGFIXLGSQ-KRWDZBQOSA-N 430.603 1.979 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1690420927 UHZXXEJXYCTCTH-HUUCEWRRSA-N 426.587 1.548 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1690508524 KMNINULFUKVTIG-SFHVURJKSA-N 431.541 1.778 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)Nc1ccccc1 1690528318 ZJLVJYKGGZRNLC-QGZVFWFLSA-N 448.549 1.262 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccc(Br)cc2C1 1690669683 MDPSTCSRPJOEFQ-OAHLLOKOSA-N 445.321 1.814 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cs1 1693350487 BOVXEUXNRLBPOO-GOSISDBHSA-N 429.485 1.229 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1694211372 CNLPQKZFJCFHRM-GOSISDBHSA-N 439.564 1.890 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1696487910 GCRMQNGWMXRHTE-GOSISDBHSA-N 443.533 1.217 30 10 IDEE CN1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)C1 1696877992 GGIDOCGAOINYOR-HXUWFJFHSA-N 429.550 1.076 30 10 IDEE COc1cc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1697276283 RWYQSPQFJLFFGR-DYESRHJHSA-N 431.468 2.000 30 10 IDEE COCCN1C[C@@H](Cn2c(C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CC1=O 1698074142 BJPASSPEHDAVQP-KRWDZBQOSA-N 441.511 1.419 30 10 IDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CC(=O)NCC(F)(F)F)cc1 1698487331 HJBVBLQIHSBSTJ-IBGZPJMESA-N 447.421 1.354 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705497623 FCRRQVVOHISGCA-SJORKVTESA-N 441.561 1.256 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)c1ccccc1 1705583482 ZBJNIKHUKFPAAY-RTBURBONSA-N 425.558 1.778 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1705586893 ACTZIJIXSCIHFQ-KRWDZBQOSA-N 428.514 1.373 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1705771497 WRDZSPAXSHACSP-UHFFFAOYSA-N 446.552 1.851 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1705857252 RUUNJQLIODLBHB-XMSQKQJNSA-N 427.505 1.582 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1705905339 RYQBTIYTTXKGIK-LJQANCHMSA-N 426.565 1.636 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705934936 BIXYZFFVTJVDOY-JOCHJYFZSA-N 443.573 1.637 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1706747404 LZKULQYQBUHBMZ-JKSUJKDBSA-N 429.525 1.775 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1706935152 MXLMRQZOUMQAKN-SQGPQFPESA-N 436.582 1.584 30 10 IDEE Cc1csc([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)n1 1707717003 COQSOQXFYGCHOR-MRVWCRGKSA-N 439.567 1.186 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1711121575 KKZPBHKUQQZWKV-HNNXBMFYSA-N 436.501 1.898 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccc(F)cc1 1722276014 GWGNWBRQNNJPDM-JKSUJKDBSA-N 436.557 1.617 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1 1722276229 GKGMHRFIRHOTLK-LLVKDONJSA-N 431.298 1.746 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722318613 FEJJLVGKOICSOQ-ZWKOTPCHSA-N 428.537 1.742 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC2CCCC2)nc1 1722343332 AYXMZSBHYFMIPC-HNNXBMFYSA-N 432.550 1.722 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC[C@H](CO)O1 1722404381 BCTJSBMEMUAJNS-DLBZAZTESA-N 446.577 1.546 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 1722475661 WRISOBDNPJQMES-MBOZVWFJSA-N 437.566 1.172 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722505486 KGQXDSNLKMABQR-JQHSSLGASA-N 434.566 1.673 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN(C)c1ccccc1 1722692483 NRZDWMCIULTBLZ-UHFFFAOYSA-N 425.537 1.389 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC)[C@@H](C)C1 1722693548 SBFTZYBRVWIHDY-INIZCTEOSA-N 428.537 1.795 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1722880115 MCYQCOALSQCNOB-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1726746744 UBOSGRBOUTVKBC-RHSMWYFYSA-N 429.475 1.871 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCO[C@H]2CCOC2)cc1 1731184880 KPTYGFJQZVMZNH-IBGZPJMESA-N 445.545 1.493 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCSCCCO)cc1 1731184913 XNPUWJCEGMOLOO-LJQANCHMSA-N 428.562 1.453 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCSCC(F)(F)F)cc1 1731185316 XWNMXAMQGBSKKS-UHFFFAOYSA-N 440.451 1.960 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1740550702 JKFHMKNQLCGOMD-JSGCOSHPSA-N 443.982 1.832 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740570153 BJROXPVJZSORPC-IBGZPJMESA-N 441.580 1.167 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1740603135 HONZHFPAMAFGLQ-IBGZPJMESA-N 445.589 1.775 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740616997 KAKDVNOJMCBISZ-WKRCXCSHSA-N 436.578 1.601 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1740619360 NRKCATRITRQZQF-HXUWFJFHSA-N 449.540 1.649 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1740626963 ZHQRMHYQXYJKMJ-IBGZPJMESA-N 433.622 1.979 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC(C)(C)C1 1740664646 YALUHLRJYZPCPD-UHFFFAOYSA-N 445.589 1.919 30 10 IDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740714764 KCAAGOBIJUQQCG-HNNXBMFYSA-N 437.566 1.921 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1740730938 LPYSSVRVXQLRSI-XQBPLPMBSA-N 449.621 1.529 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1740921535 XZSISTQJIBRMIC-YJBOKZPZSA-N 447.536 1.996 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1740932481 OXYCVOPUPRCSQG-OALUTQOASA-N 436.626 1.385 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1740941988 YCWUEUXOGORSMN-GOSISDBHSA-N 447.561 1.227 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)C1 1740979129 BMLYFJGYGYDNNG-MSOLQXFVSA-N 434.566 1.557 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)CCOC1 1746732855 BXRJSQBJERLEOH-UTKZUKDTSA-N 432.525 1.062 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCCO2)CCOC1 1746734902 OHSZPHCDRHCNFS-LVCYWYKZSA-N 435.525 1.245 30 10 IDEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1747273764 WBYUVHCRMZQCBM-KRWDZBQOSA-N 432.550 1.619 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCNS(C)(=O)=O 1748646529 ANIPKQIVJNRXPC-GFCCVEGCSA-N 426.340 1.715 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(C)CN(C)C2=O)c1 1748692749 NILYHKCBGTZFTL-HXOBKFHXSA-N 436.516 1.317 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748823986 GPYBHXIKPJPHCK-WOIUINJBSA-N 444.557 1.664 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1COCCO1 1748946349 GFFAUDREQRRHJQ-IBGZPJMESA-N 427.480 1.595 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCCC1 1748961004 UONMFRNPCJODJH-UHFFFAOYSA-N 449.559 1.764 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1748972078 BTDQHMIDESAORK-VGOFRKELSA-N 425.537 1.478 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1749574955 ITPRPQYWFICPCM-IAGOWNOFSA-N 439.582 1.605 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1749663489 HHTOMZWGHXTVJB-MRXNPFEDSA-N 427.509 1.746 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H]3C[C@H]2CO3)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749681753 HYXNKOVQWJDCAB-YVSFHVDLSA-N 446.552 1.719 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1749736457 JIZBXQBCOAWOTR-UHFFFAOYSA-N 442.994 1.692 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)c1ccccc1 1760120927 RANLMCCVBKZGAE-KRWDZBQOSA-N 429.546 1.722 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCNC2=O)CC1 1760157279 KDKPVXCCVPRAKD-UHFFFAOYSA-N 441.561 1.677 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1760195963 CDNQAFLZRHKFCG-IBGZPJMESA-N 442.541 1.617 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)nc1 1760288267 WPDCVLUTZDVWQY-JOCHJYFZSA-N 430.472 1.460 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCC[C@H]1C 1760495100 FGSBCQARAGKJFM-MSOLQXFVSA-N 438.598 1.274 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1760532068 KANRMTZHUTZFEX-FQEVSTJZSA-N 434.500 1.904 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CCS(=O)(=O)CC2)C1 1760541255 YESFMRPACLAQMT-GOSISDBHSA-N 446.573 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760553340 RVCZFQKWWKNWKV-KRWDZBQOSA-N 438.575 1.559 30 10 IDEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)s1 1762487382 MZOJFCJCWIOQPG-CXAGYDPISA-N 439.542 1.415 30 10 IDEE CCC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1)OC 1765563738 CWIXXBNBIVCLGK-HXUWFJFHSA-N 439.564 1.890 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1768540243 QTAIJXYWSBTQDO-RLBWVDARSA-N 438.488 1.705 30 10 IDEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCCOC1 1769843710 UGCRVLCVQSUPJX-UHFFFAOYSA-N 449.515 1.905 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C1 1771251902 CBYHTZRALHTZDW-WIYYLYMNSA-N 440.548 1.779 30 10 IDEE CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C1CN(c2nccnc2C#N)C1 1849512762 JALNMIMQVQZREV-INIZCTEOSA-N 440.529 1.096 30 10 IDEE CS(=O)(=O)c1ccc(NC(=O)CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1851026740 AIPQVWNVVBLIQI-UHFFFAOYSA-N 432.546 1.503 30 10 IDEE COc1ccc(N(C(=O)C2CN(S(C)(=O)=O)C2)c2nccc(N(C)C)c2C#N)cc1 1851285610 SDKQPRBZZNIIPU-UHFFFAOYSA-N 429.502 1.584 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc4c(c3)NC(=O)[C@@H]3CCCN43)CC2)nc1 1851445638 LQXOUBWQCDCECF-NRFANRHFSA-N 446.511 1.853 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)n1 1852983726 RLQSOSORTUBOCJ-QGZVFWFLSA-N 440.529 1.098 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CCC(=O)N3Cc3cccs3)CC2)nc1 1853219362 VRUNQDGBAKXPQZ-LJQANCHMSA-N 439.541 1.871 30 10 IDEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3cnnn3-c3ccccc3)CC2)cc1 1853570925 MFRSLVWGVMGTEP-UHFFFAOYSA-N 447.543 1.947 30 10 IDEE N#CCS(=O)(=O)N1CCN(C(=O)CCn2c3c(c4ccccc42)CCCC3)C(=O)C1 1854592902 OPQOVHMXLQTGAX-UHFFFAOYSA-N 428.514 1.434 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)CC1=O 1854880694 GCYFEXAVGYQPIZ-AEFFLSMTSA-N 433.940 1.411 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)C1 1855354576 MBPKANPPYNPBSO-LJQANCHMSA-N 433.574 1.994 30 10 IDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc21 1855451282 IITNPCINURFYHH-UHFFFAOYSA-N 430.530 1.655 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1857323745 FBRXJIDTPXSTSO-LJQANCHMSA-N 432.546 1.694 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN(CCO)CCCC 1870548060 SKAFEHOOLZAVFG-FQEVSTJZSA-N 435.565 1.645 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2cn(CCOC)c3ccc(OC)cc23)c1=O 1873495130 MTSLGBQGGONSGH-SRZZPIQSSA-N 445.501 1.525 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(C)cc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873595540 HWIAZXIFNSYTPQ-UHFFFAOYSA-N 434.544 1.970 30 10 IDEE COc1cccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1OC 1890228807 CZYYRLPTFMEAPL-UHFFFAOYSA-N 429.561 1.505 30 10 IDEE N#Cc1c(Cl)nsc1N1CCNC(=O)CCN(C(=O)CC[C@H]2CCOC2)CC1 2060409826 YTVAUZBLNXOQET-ZDUSSCGKSA-N 425.942 1.640 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 2073756599 JUNNHGMXUMCKFN-LKBUQDJMSA-N 437.346 1.840 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)[C@H]21 2124532923 AHOWKZQTKSQXHD-RBSFLKMASA-N 446.313 1.349 30 10 IDEE C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243702251 MNPQZEDAJZUBSD-LLVKDONJSA-N 426.348 1.749 30 10 IDEE Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2255537829 BODOHQHUTFGWTF-FICVDOATSA-N 432.330 1.314 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CN1C(=O)OC(C)(C)C 2255657666 SIUOUULYBRAFPD-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CO[C@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2255712694 QLSPBOQOTJKGGD-CABCVRRESA-N 436.314 1.943 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255833142 XUVCKZTUZLDLKE-GUTXKFCHSA-N 432.330 1.694 30 10 IDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2255838961 NZXMSSKAJXSGPS-HUUCEWRRSA-N 432.330 1.553 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2255869163 XRYJMHSPNLMGEI-OAHLLOKOSA-N 430.314 1.753 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2256621420 UTMNAKOIOGXOST-SMDDNHRTSA-N 439.293 1.733 30 10 IDEE CN(C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 2267113494 UQCUPKSXNCEDTE-AWEZNQCLSA-N 449.361 1.490 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 2267194847 GUWGSRUPIWFGRG-QKDCVEJESA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCO1 2267274358 ZDCDHQDRBQWNKL-CQSZACIVSA-N 448.329 1.142 30 10 IDEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267541362 CFNZHWHMJFKPJA-FUHWJXTLSA-N 439.369 1.755 30 10 IDEE N#CCOc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286037661 BUELSINZHHQPTB-QGZVFWFLSA-N 433.442 1.710 30 10 IDEE C#CCOc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2286038999 CSUCVPZXGPOSGY-SFHVURJKSA-N 432.454 1.820 30 10 IDEE CC#CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO)C(=O)OC(C)(C)C 2300545246 XIBXNMVKTIESEU-DLBZAZTESA-N 439.553 1.981 30 10 IDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/c4cc(Cl)ccc4O)[nH]3)nc2n(C)c1=O 105379565 AOLBZQCTORZEFV-NGYBGAFCSA-N 447.868 1.035 30 10 IDEE C#CCN(C)CCNS(=O)(=O)c1c(Br)cc(N)cc1Br 328284317 QCEHDSIAWJNBMA-UHFFFAOYSA-N 425.146 1.637 30 10 IDEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CC2)c1=O 430980382 ZBMISCNCNPJLGX-UHFFFAOYSA-N 431.521 1.427 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 433940363 HTFSFZWYMUBDOP-LJQANCHMSA-N 431.562 1.591 30 10 IDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(Cc2nccn2C(F)F)CC1 443337330 UKSAZIOVTMZNMZ-UHFFFAOYSA-N 426.405 1.565 30 10 IDEE COc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)NC1CC1 443354298 UIOSUZPUXAONAV-UHFFFAOYSA-N 434.518 1.521 30 10 IDEE COC(=O)[C@](C)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccc(F)cc1 463452612 CPBHYNZAPGWCAC-OAQYLSRUSA-N 429.452 1.320 30 10 IDEE CC1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 478413691 CSWHTBZCQPHIBO-VGSWGCGISA-N 426.473 1.560 30 10 IDEE CCOC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 482392279 CPNKIKNERUQGKA-BEFAXECRSA-N 429.498 1.688 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 484450312 AYVCFRNGBDAVRZ-LJQANCHMSA-N 446.467 1.692 30 10 IDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 488587623 ZOXHKYYQQQHNLC-NEPJUHHUSA-N 432.868 1.975 30 10 IDEE C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)cn1C)c1nc(C(=O)OCC)cs1 497794278 BWXQMHPNBXCXLV-UHFFFAOYSA-N 426.520 1.741 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 537396065 UXLHGGQOHPQKPG-UHFFFAOYSA-N 429.542 1.777 30 10 IDEE N#Cc1cccc(N2CCN(CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)n1 546915913 BRGCNHLQQJQSNG-UHFFFAOYSA-N 432.528 1.953 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 555250859 UGCFVVLBKMUKTF-FQEVSTJZSA-N 446.596 1.855 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 564807371 GZZLKAHWOLUTPM-KNKQGSTJSA-N 439.560 1.188 30 10 IDEE CCC1(CC)CN(CC#CCN2CCS(=O)(=O)C(CC)(CC)C2)CCS1(=O)=O 566001041 WHERPSPTNIYEBF-UHFFFAOYSA-N 432.652 1.568 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(F)cc1 603786350 KEHPMPZFLKJYHV-UHFFFAOYSA-N 443.525 1.755 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)CC1 611792063 MSZDLYOSKDFDIJ-KRWDZBQOSA-N 427.574 1.959 30 10 IDEE C#CCN(C(=O)CN(C)C(=O)c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 729335344 MFRARSJCNCAWPW-LLVKDONJSA-N 433.349 1.232 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccccc1 732795688 SQIRTDSCWGUIQE-UHFFFAOYSA-N 435.553 1.765 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)ccc1F 751231722 NTQKDPWYVQJGJO-HNNXBMFYSA-N 447.488 1.834 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)C(C)(C)C1 757110798 DWRNBMAEAYOJOG-OAHLLOKOSA-N 441.575 1.175 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2sccc2C)sc(=Cc2cnn3ccccc23)c1=O 758084702 TVWBBGIQDQCGSK-UHFFFAOYSA-N 430.514 1.947 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)n1 788534229 QELLNRBHFVHGRS-OAQYLSRUSA-N 438.532 1.647 30 10 IDEE C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 790714374 JHXJOWKINNNVJQ-DLBZAZTESA-N 431.562 1.892 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)n1 792492125 SAILTPSKZIJBHX-IBGZPJMESA-N 440.422 1.123 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 794625932 LWCIIDCEPGUUDC-GOSISDBHSA-N 435.505 1.639 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)CC(=O)N2C(C)(C)C)cn1 796678425 OAVZRTAUGVPFLV-PKOBYXMFSA-N 443.529 1.626 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3c(C)nn(CC(C)C)c3C)CC2)o1 915374743 UKLOCCKDQMHGIK-UHFFFAOYSA-N 442.520 1.759 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(-c3ccccc3C#N)c2=O)cn1 917800044 VPHOABXQNITDDD-UHFFFAOYSA-N 444.520 1.066 30 10 IDEE COc1cc(NC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)cc(OC)c1 1083973790 BXXCFFBFEYOBLX-UHFFFAOYSA-N 428.478 1.581 30 10 IDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2N)cn1 1084150614 DROCAXVTNPNTPD-UHFFFAOYSA-N 443.537 1.628 30 10 IDEE Nn1c(NN=Cc2ccccc2O)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084483353 XLGCHVZELUVRMM-UHFFFAOYSA-N 441.473 1.646 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(n3cnnn3)CCCCC2)cc1 1125136279 RPBSKVQYCLNXJL-OQKWZONESA-N 431.522 1.784 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)c1 1125488709 ATQUAMYAAYVPID-FQEVSTJZSA-N 441.528 1.133 30 10 IDEE COC[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCOC1 1155617713 GUMWUHKVJOJZDP-AEFFLSMTSA-N 437.562 1.843 30 10 IDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1156428119 OFZISSJUEAHHJK-LBPRGKRZSA-N 426.336 1.793 30 10 IDEE CC1(C)C[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1157725959 RVBXTYATLLNGPB-GOEBONIOSA-N 432.502 1.235 30 10 IDEE C=C(C)C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C(=O)OC 1171469269 GMARERXJTZMXFI-FXUDXRNXSA-N 444.550 1.281 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)CC1 1227892050 LYRXMJJRFCKEIX-QGZVFWFLSA-N 443.529 1.730 30 10 IDEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1227924873 RIXJUWRUEHFFBX-BQIYRTECSA-N 434.514 1.397 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C[S@](C)=O)cc1 1286274115 LYYBIIBQIHRYAG-ZKDVCIDWSA-N 437.591 1.273 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1286386675 FSMIRGPEVALZCJ-QGZVFWFLSA-N 429.546 1.359 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286387567 SMNNBTYJYGDGIR-HNNXBMFYSA-N 449.964 1.750 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1286433512 GODBUKLEBBXPQK-UHFFFAOYSA-N 426.546 1.601 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C2OCCO2)c1 1286460801 JXGWYTRKIOXABN-UHFFFAOYSA-N 427.505 1.596 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2CCS(=O)(=O)CC2)CC1 1286485846 ANPCNNFUYDWBQH-MRXNPFEDSA-N 435.594 1.582 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CCCCO1 1286789559 FQNYTLMFYQJVSV-HNNXBMFYSA-N 432.550 1.577 30 10 IDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1287927000 GOEHRSRQSDEHJD-HSZRJFAPSA-N 437.548 1.928 30 10 IDEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1290644807 XWNVGCMHLZKMNS-QNBXZPKWSA-N 425.551 1.809 30 10 IDEE CC(C)n1ncc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1I 1293033406 XZKLMEZFUHJVSW-NTCAYCPXSA-N 443.245 1.325 30 10 IDEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1298604541 KXWYKZYUCFTEFG-UHFFFAOYSA-N 439.488 1.848 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300286187 FLEDDRWXSQGVOM-GBESFXJTSA-N 449.563 1.878 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1300381000 LOFNNYRLWPZCHM-JTDSTZFVSA-N 425.555 1.076 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc(O)c2)CC1 1300383851 IJTYDTMRBPBXEF-INIZCTEOSA-N 432.550 1.334 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1300526320 CQIBRBXNYMIKGS-UHFFFAOYSA-N 438.513 1.434 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)OC(C)(C)C)CC1 1300681318 MSUWGROZCZUXIW-UHFFFAOYSA-N 445.568 1.184 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1300725661 IYWVPOSJFAMMQU-WTPASJBYSA-N 447.605 1.439 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1300883559 CUNJAQZUPAJBFM-HBFSDRIKSA-N 433.553 1.448 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCN(C(C)C)CC1 1300952338 RLFFALAUUVRVLD-QGZVFWFLSA-N 426.587 1.108 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300997672 XWQLTDAMIBYATD-UHFFFAOYSA-N 447.584 1.577 30 10 IDEE COC[C@@H](F)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301067526 GEKBSMWSZIRHKT-IBGZPJMESA-N 436.495 1.842 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCNC2=O)CC1 1301155804 WBSPAMXIERBFIC-UHFFFAOYSA-N 429.569 1.997 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1301916943 PMSKXXKNSHATAL-NRFANRHFSA-N 434.508 1.577 30 10 IDEE C[C@H]1CN(c2ccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@@H](C)O1 1308127627 GUIPNSLQPUSIBA-GRXQJBFDSA-N 432.546 1.109 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 1309654689 MMQJHNVMTLLOPR-UHFFFAOYSA-N 431.308 1.514 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1358919310 ZGFDAVVHKCCNHS-UHFFFAOYSA-N 445.549 1.199 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1358959147 CPXKZSBFNRPGRG-QGZVFWFLSA-N 445.545 1.107 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1358999839 FDXIOKRLLJHBIW-MAUKXSAKSA-N 436.557 1.790 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1359030748 DOYQJSGHLMZXFY-XXBNENTESA-N 442.564 1.581 30 10 IDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cccc(OC)c2)CC1 1359167450 GKYHDMBEVPTIPL-UHFFFAOYSA-N 438.532 1.996 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359333577 CCLALHCRGVODGZ-UTKZUKDTSA-N 447.561 1.249 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359335684 RRQYQUORWIAIJA-QFBILLFUSA-N 428.555 1.190 30 10 IDEE C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359339471 GTVQAGRECZMPSA-INIZCTEOSA-N 426.546 1.320 30 10 IDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1359396647 HGJSPSFDLVDSFN-UHFFFAOYSA-N 438.517 1.606 30 10 IDEE Cc1ccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)cc1F 1361121986 ARHHARWOVCJMET-OAHLLOKOSA-N 441.511 1.874 30 10 IDEE C=CC[C@H](CO)CNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1447022881 DUJJBFHAPGXXKM-YCRPNKLZSA-N 428.526 1.635 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3O)C[C@H]1CS(=O)(=O)C2 1456224884 WEBUJPIJHUVEDC-QFYYESIMSA-N 447.391 1.513 30 10 IDEE CCOC(=O)c1c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)sc2c1CCC2 1460880490 IBKJOWFBXGBYNL-HXPMCKFVSA-N 437.543 1.222 30 10 IDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CSC1 1469995958 KUGAHBLEKLWVOF-UHFFFAOYSA-N 449.598 1.185 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 1475950868 SAINTNVSLATQHI-NRFANRHFSA-N 437.525 1.959 30 10 IDEE Cc1nc(C)c(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)s1 1492656343 FNQKTLVSGHQTPG-KSSFIOAISA-N 438.554 1.938 30 10 IDEE CCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)cs1 1498424333 VTYGUGQAANKTJZ-KRWDZBQOSA-N 437.529 1.835 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1502694961 GWKCGQFKGSAMIT-FXAWDEMLSA-N 449.533 1.457 30 10 IDEE CCOCc1nnc(N2CCC[C@@](C)(OC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503079570 JNKMCLZYBXQOBR-XDSRXIPYSA-N 432.525 1.736 30 10 IDEE CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503375728 VTXPROQHUPVOQA-UHFFFAOYSA-N 436.545 1.612 30 10 IDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1503930645 MAODENVYWKCNEP-KSSFIOAISA-N 437.504 1.618 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)cc1 1504186577 ZNMDTPUKQBMKQR-LJQANCHMSA-N 437.497 1.457 30 10 IDEE COCCOc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1505010870 BJZXHMWLVXPDIT-SFHVURJKSA-N 442.520 1.527 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC[C@H]2COCCO2)c1 1507551112 ARVVTDJWSFIVKB-IBGZPJMESA-N 427.505 1.676 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1508421695 CBLUKFYZKDVVJB-UONOGXRCSA-N 436.563 1.268 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1CC1 1510198754 ZUPNOLYBIGHOHO-LBPRGKRZSA-N 431.522 1.223 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCS1 1514136095 AXTWMVKXAVRDRC-XLIONFOSSA-N 447.586 1.698 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1O 1517687243 BOXHDWVULHUSDS-NMLBUPMWSA-N 439.516 1.992 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1519034797 CMPIECBRPCJGBA-QGZVFWFLSA-N 433.534 1.779 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2OC)CC1=O 1519205154 ABZHCTKWQDYYES-PMACEKPBSA-N 438.532 1.927 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1Cc1ccc(C#N)o1 1519275856 MJVMPANKZJCAQM-HOCLYGCPSA-N 443.508 1.555 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1519395609 SZJVPCJFFPDVAK-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CSCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1520426646 PEEMFFIJSHQIGZ-WMLDXEAASA-N 446.574 1.196 30 10 IDEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CCC(N)=O)CC2)o1 1521095930 SZQKYAFCQOKCQQ-UHFFFAOYSA-N 425.493 1.509 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1536504964 DKRLIUHABYMEHS-KBAYOESNSA-N 428.489 1.662 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](COC)OC)c1 1539043902 WCAYARFROKSMEZ-UYAOXDASSA-N 441.532 1.890 30 10 IDEE C#CCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539139872 JCKNRHCXBJDXOE-OFNKIYASSA-N 431.581 1.891 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1539239171 INOZLUKQXVHIRL-CQSZACIVSA-N 435.937 1.671 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCOCC1 1539286170 YNMLZPFNLYZOCJ-UHFFFAOYSA-N 431.544 1.702 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539407721 MRCGSNLRBUHCJS-SFHVURJKSA-N 449.563 1.870 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)Cc2ccc(F)cc2)CC1 1539427956 KLPDGICDTOKIKG-UHFFFAOYSA-N 441.555 1.443 30 10 IDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1539527257 ZCXVOLCGLGSGLL-NRFANRHFSA-N 429.546 1.934 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@]34CCCC[C@@H]3NC(=O)C4)CC2)cc1 1539876254 DIRJVJKBRLKEEK-GHTZIAJQSA-N 430.530 1.276 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1539902615 LJJLUZLKXASICY-JKSUJKDBSA-N 426.587 1.011 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1540964739 MPIWRSZKTDVVRR-UHFFFAOYSA-N 428.562 1.991 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1541723902 KGCJFXUFPSRAJY-FCHUYYIVSA-N 432.569 1.515 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)c1 1542598769 FDKLGIJTOYVOFS-UHFFFAOYSA-N 445.541 1.858 30 10 IDEE COCCn1c(NC(=O)CC2(C#N)CCOCC2)c(NCc2ccccc2)c(O)nc1=O 1542766878 IBWIGJFWLZLBEN-UHFFFAOYSA-N 441.488 1.856 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 1545919550 ABVBSZKSBWSJPK-UHFFFAOYSA-N 437.548 1.920 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1555650854 VURKMLBVZHAWLM-SUMWQHHRSA-N 432.447 1.811 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](Cc1ccccc1)OC 1555753850 WRHQBXLLDXKJKJ-WOZUAGRISA-N 441.532 1.989 30 10 IDEE CS(=O)(=O)c1ccc(F)c(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1556345505 KLZVAFHGIONKBZ-UHFFFAOYSA-N 428.438 1.596 30 10 IDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 1562761421 AXGWYMKYDKGOQC-UHFFFAOYSA-N 434.500 1.860 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1584109291 XHTJAPVGULNLPR-QGZVFWFLSA-N 426.860 1.316 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(N4CC[C@@H](O)C4)CC3)C2)C1 1585071329 JWSMRCTVUUZCBB-WTWLLKEWSA-N 432.565 1.831 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c(=O)nc1O 1587590581 FLUDXZOCRJTBEM-MRXNPFEDSA-N 430.770 1.430 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@]1(N2CCOCC2)CCSC1 1587651789 RBIOKDNASLRJOT-AVRDEDQJSA-N 426.590 1.930 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)c2csc(I)n2)CC1 1587691004 MKNGUPUYVJCKHI-UHFFFAOYSA-N 425.255 1.977 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1588050991 YTLNPHBKPVYWLK-HNNXBMFYSA-N 449.533 1.059 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1COCCO1 1588276636 TVZZOEHDESENBI-INIZCTEOSA-N 432.550 1.422 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(Cl)cccc2OC)CC1 1588733417 RWECNWKPTAKHPI-UHFFFAOYSA-N 430.940 1.882 30 10 IDEE C#CCSCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1589124591 AJPUXICTWSQELU-JOCHJYFZSA-N 447.605 1.745 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1589496280 XEVIYBAWJFBIMT-QEOTZNIISA-N 425.555 1.237 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589514203 DUDJOKCELWVCOF-RYRKJORJSA-N 436.582 1.919 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1589651785 HALTVCJDDPBXPA-UTKZUKDTSA-N 434.610 1.840 30 10 IDEE Cn1ccc(N2CCC[C@@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)n1 1618726873 CRKKSVQKPMOVQQ-QGZVFWFLSA-N 429.521 1.682 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1619836359 GMKBQRBTGCYVPG-GOSISDBHSA-N 438.598 1.279 30 10 IDEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1620037357 LZKIRSZRHDSKLV-QZTJIDSGSA-N 426.477 1.031 30 10 IDEE C=CCOc1c(Br)cc(CNC[C@]23COCCN2C(=O)COC3)cc1OC 1621035253 LHZRMSKPLMTGCQ-LJQANCHMSA-N 441.322 1.740 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1623659155 LYCNVVDXRGJMEQ-GOSISDBHSA-N 449.573 1.466 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H]2CCCC[C@H]21 1628720964 CYSVWJXUXJEMOF-KSZLIROESA-N 433.530 1.991 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C(=O)OC(C)(C)C 1629409698 OJDZRJOVQVZZRO-UHFFFAOYSA-N 429.473 1.570 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2cccnc2N2CCC[C@H]2C1 1632566262 VFIAHPGGMKIHFO-YJBOKZPZSA-N 425.514 1.631 30 10 IDEE C#CCCN(CCOC)C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1635087639 IUCRLLKSHZHOPI-UHFFFAOYSA-N 446.367 1.717 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1636452688 GQZUJVNBSQYILY-SBUREZEXSA-N 442.516 1.789 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1653760353 VOZIEAFIXNOLHI-HNNXBMFYSA-N 433.509 1.754 30 10 IDEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1Br 1655361564 ICMOLCKCNIHPDM-GXTWGEPZSA-N 434.356 1.677 30 10 IDEE COc1ccc2c(n1)N(C)CCN2CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1655636785 FSAYBWVOPAILAQ-HXUWFJFHSA-N 438.507 1.895 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)c1 1659626865 IJFDPMHYFFETCC-UHFFFAOYSA-N 431.539 1.893 30 10 IDEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)C1CCOCC1 1663235923 SWLGLRKLWATJEP-SLFFLAALSA-N 436.530 1.370 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2ccccc2Br)CC1 1670376963 ICGMMDNNTRMIFV-CQSZACIVSA-N 443.367 1.175 30 10 IDEE CN(C)CC#CCNC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1683086897 OXLMAGDTRMHMKK-UHFFFAOYSA-N 441.536 1.656 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1689924731 RNLZDJNGMGWKNN-GHTZIAJQSA-N 436.564 1.527 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1689948519 YNZZLUJPOQZXIJ-FDDCHVKYSA-N 443.523 1.871 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1689990843 SPKLURQPJDKBOT-KZNAEPCWSA-N 438.619 1.942 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1689999879 KMXAYQYCVJWVJD-OAHLLOKOSA-N 443.529 1.517 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1690195220 HGDODCPGEDQBBP-MSOLQXFVSA-N 429.443 1.601 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 1690465151 SYXPHHNSNTWHBI-YLJYHZDGSA-N 441.598 1.973 30 10 IDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690510081 SEABJUJTQLVFMT-MRXNPFEDSA-N 425.580 1.850 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCC[C@@H]1NC(=O)NC1=O 1690565396 ITMIHYDEEASVGO-SJORKVTESA-N 437.504 1.410 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(c2ncc(C)s2)CC1 1690654935 AGULWIGORBVLFK-UHFFFAOYSA-N 443.577 1.965 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690672540 VRUFVNGKUHRCIQ-UHFFFAOYSA-N 431.585 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690723654 XUHALFRQEACGSB-MRXNPFEDSA-N 447.565 1.154 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C)CC1 1690724976 ZYOLFPZBXNIEGU-JKSUJKDBSA-N 430.596 1.407 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1691004157 PEOVAPNOVLQHHO-IKGGRYGDSA-N 425.555 1.219 30 10 IDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1696820913 ADSFRSDNPDNFJE-WJOKGBTCSA-N 439.545 1.973 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705563374 WGGPKJURPADRRK-UYAOXDASSA-N 439.541 1.870 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1705570292 OCSFIPWFQSWTBP-LJQANCHMSA-N 439.545 1.177 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1705583408 XMJYNESGSORJCO-VQIMIIECSA-N 426.498 1.298 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2snnc2C)CC1 1705649640 DAXUZYYGCXWZKK-UHFFFAOYSA-N 436.545 1.438 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1705894234 QMIHCOZCLWQHHW-GOSISDBHSA-N 438.532 1.819 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2C[C@]2(N3CCOCC3)CCSC2)C1 1705929624 UJRFCEVKLAOLRO-WIYYLYMNSA-N 437.610 1.804 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CC=CCC1 1706888100 XASHQLTYZCHNHB-XYJFISCASA-N 433.582 1.421 30 10 IDEE CCC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)OC 1709509203 GQJSYTIZIOCVCV-FQEVSTJZSA-N 439.564 1.842 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1710874701 HYJXVHWDSJNXQC-UHFFFAOYSA-N 442.545 1.358 30 10 IDEE CCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)CC1 1710888885 HEYWKFIRLIUNQG-OAHLLOKOSA-N 432.550 1.760 30 10 IDEE N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)CCO1 1712884870 URNQVEQVCMNOGD-MRXNPFEDSA-N 448.478 1.463 30 10 IDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1722319720 QMIOYVLLJAVFBE-UHFFFAOYSA-N 448.575 1.578 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1722360801 JTUMPNODTZTFBP-HNNXBMFYSA-N 430.559 1.610 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722368080 ZBJZPDNBJGVRSN-FUHWJXTLSA-N 432.546 1.539 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](COC)OC 1722390295 QBYSRSAESWIQML-SFHVURJKSA-N 430.530 1.473 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1722502841 WKLZGAFYKGQEGJ-QFIPXVFZSA-N 435.569 1.970 30 10 IDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722526599 XWSZXONSBCWOMF-UHFFFAOYSA-N 443.577 1.953 30 10 IDEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1722591724 RMVZMDNAMSUPSJ-UHFFFAOYSA-N 430.553 1.265 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722725779 RMUZBKPDJDPNQO-NRFANRHFSA-N 446.577 1.242 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722726995 DMFTUIIVHYYFEM-UHFFFAOYSA-N 437.488 1.336 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722729297 IKBFWYVRXAJYNR-ROUUACIJSA-N 446.529 1.892 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1723875762 CGOSWPRJTITCNE-ROUUACIJSA-N 437.548 1.452 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)C1=O 1729592469 JKGUZRUQYUMDKC-NRFANRHFSA-N 442.545 1.567 30 10 IDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1730923146 AGTHIIYIADWSGV-WOJBJXKFSA-N 427.505 1.864 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1740552484 OFSJDWKFCHFWQC-CABCVRRESA-N 446.520 1.469 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1740613868 WOQGSBBNBFNNNI-UHFFFAOYSA-N 448.321 1.548 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1740683697 MYTWGTWODBMXGR-UHFFFAOYSA-N 440.529 1.414 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CC1 1740697074 QNGGMCJOECDROJ-NRFANRHFSA-N 427.524 1.959 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740763307 JLLFNIHXFWGLSI-KNKQGSTJSA-N 444.580 1.686 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740795474 WALVPJRXYQANKI-MSOLQXFVSA-N 439.582 1.379 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1740959739 DHVRXYUPVUGFAJ-MRXNPFEDSA-N 445.955 1.849 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCS(=O)(=O)C2)CCOC1 1741123939 CFUWTANFNGSUQE-MBOZVWFJSA-N 439.582 1.739 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)c1 1742166762 FTZSJLMCBWHZDO-IBGZPJMESA-N 436.513 1.465 30 10 IDEE C[C@@H]1COCCN1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1743361877 DYGHYEBVAKSNOL-QAPCUYQASA-N 448.474 1.996 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCOC(C)(C)C 1747665772 XQUMAJZISFBFFY-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1748859609 WWMBGYJJJIJBRX-IXFSTUDKSA-N 443.548 1.927 30 10 IDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCSC2)CC1 1748993496 ZQRNVTMNESLREC-NRFANRHFSA-N 433.528 1.770 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749022398 JFCJHFUITLJQGJ-XHSDSOJGSA-N 427.596 1.118 30 10 IDEE C#CCSCCn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1749038072 NZOPCKAXPJOMEZ-UHFFFAOYSA-N 442.593 1.160 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749133066 HFGXGUFOSGLKBY-LPHOPBHVSA-N 425.537 1.642 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1749341594 JMKRVGRSSPWXSH-SFHVURJKSA-N 444.561 1.588 30 10 IDEE C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1749750045 VNPPAATXCGBXIU-MRXNPFEDSA-N 439.549 1.542 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C)CCOCC1 1750031588 XHOMICYPPTYMKI-IEBWSBKVSA-N 432.569 1.995 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1760116249 GLCNGVOJZPWXJQ-VQIMIIECSA-N 431.562 1.680 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1760183901 DLVBODMAVITBOJ-OAHLLOKOSA-N 433.509 1.237 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(F)ccc2SC)CC1 1760259454 BNIQSSNDMPPWIY-QGZVFWFLSA-N 428.537 1.894 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccn(C)n2)CC1 1760266735 KRBHTPKAZGCBNU-UHFFFAOYSA-N 448.487 1.601 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnnn2C)CC1 1760266903 ASYYBUVOQMZOID-UHFFFAOYSA-N 439.911 1.136 30 10 IDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760438235 BZCPKCCASIQIHW-HNNXBMFYSA-N 430.513 1.047 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2nsnc2c1 1760464388 GQUFVHMMBKZCRL-INIZCTEOSA-N 449.562 1.286 30 10 IDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760471254 QKRGSHHZKGQFJE-OXJNMPFZSA-N 439.582 1.367 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)C(C)C 1760488272 QFUXCTHQUUKLDF-FQEVSTJZSA-N 445.612 1.458 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1760495709 VGPQVHZLQYZHTD-OAHLLOKOSA-N 427.596 1.685 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1760517824 ZERZVJHNSURVLK-OAHLLOKOSA-N 445.549 1.093 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccc(OC)cc2)CC1 1760521346 QDHBVVRRORGQGC-IBGZPJMESA-N 438.532 1.924 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760527868 KUBCJOJARNLSBA-HOTGVXAUSA-N 447.879 1.927 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760554718 KWJNKDXNDUFWNP-JXFKEZNVSA-N 426.583 1.852 30 10 IDEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760561003 MVZWMTNUUJKUIY-UHFFFAOYSA-N 432.575 1.818 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccccc1)N1CCCC1 1761237920 FBWFAKVVYUAUJM-WOJBJXKFSA-N 437.548 1.982 30 10 IDEE CCc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)no1 1764627513 GJGYBABLIWOCFJ-HNNXBMFYSA-N 433.538 1.498 30 10 IDEE CS(=O)(=O)CCCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771353704 SERNRVLYZOTKKA-UHFFFAOYSA-N 438.513 1.915 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCN(c4cc(-n5cccc5)ncn4)CC3)cnc2c1C#N 1852916997 BWHRYVFBVQIMMN-UHFFFAOYSA-N 427.472 1.761 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CCC)C3(CCCCC3)C2=O)CC1=O 1854013566 DLAUVBXBWZMTIK-INIZCTEOSA-N 425.551 1.134 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)CC1=O 1855105083 WKMPHEGWEHOUCI-CQSZACIVSA-N 427.473 1.365 30 10 IDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1CCC#N 1855912059 NBMKLXLOJDXMIT-SFHVURJKSA-N 432.546 1.593 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cccc4ncccc34)C2)CC1 1857041632 KHGJAMLZGYNEOA-MRXNPFEDSA-N 426.498 1.789 30 10 IDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1862162284 NDEFNYJPMODMKH-PKOBYXMFSA-N 443.544 1.800 30 10 IDEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)[C@H]1c1ccc(C#N)cc1 1889380580 GFWDJIBHEPDYIZ-JFRXWTBNSA-N 440.525 1.025 30 10 IDEE C#CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1990015751 NYTPGHAXYOHZCP-INIZCTEOSA-N 425.526 1.733 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993457218 PECFDBDFUFXFPC-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060625140 HIJKQXBQBBOOMI-AWEZNQCLSA-N 436.293 1.919 30 10 IDEE COC(=O)[C@H](CC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1)NC(=O)OC(C)(C)C 2060639253 FYOYKCBYNIVHCI-MCIONIFRSA-N 438.330 1.993 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)COC1 2085662331 XEJYTPNTZJMIQZ-UHFFFAOYSA-N 433.314 1.955 30 10 IDEE CN1C[C@H](C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)N(C(=O)OC(C)(C)C)CC1=O 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CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267548590 HCCHGEXLTULXIO-GJZGRUSLSA-N 444.341 1.713 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2268710978 JZQUCPRWHGAWPO-CQSZACIVSA-N 448.329 1.478 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2315529340 UFDSKLOEOPYAHI-UONOGXRCSA-N 434.346 1.610 30 10 IDEE CCOc1ccc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1Br 2323028614 DBOSEKWEYCBRJV-UHFFFAOYSA-N 427.280 1.988 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 14690734 FAJRLUBWSPMJHD-OAHLLOKOSA-N 444.469 1.767 30 10 IDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N 29003271 AQAIGVFYOFBOTF-OAHLLOKOSA-N 445.497 1.994 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)n2c(N)nnc2SCC(=O)OC)nc1C 32535721 PBCSYQIIJHQOTD-SECBINFHSA-N 440.507 1.433 30 10 IDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CO)(C(=O)O)N[C@H]2c1cc(Cl)cc(Cl)c1Cl 248229980 KNWFXAJGXWTUID-WKZPIUISSA-N 445.686 1.731 30 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615025104 ZHPXAIXHLWEUDR-UHFFFAOYSA-N 425.493 1.156 30 10 IDEE C[C@H](CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732650404 QGZIVPFCDWIHNR-QMMLZNLJSA-N 426.565 1.190 30 10 IDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N([C@H]2CCOC2)C1=O 751685120 WYXYUOCBLNEZSL-RBUKOAKNSA-N 430.574 1.964 30 10 IDEE N#CCOc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 760347131 CYJFQDRVMMJFIL-UHFFFAOYSA-N 444.469 1.573 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 761665838 WLFVWGSYNXCXMY-UHFFFAOYSA-N 447.492 1.990 30 10 IDEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)C2=O)C(C)(C)O1 764891045 PVVLLRVAHYJXSL-QFIPXVFZSA-N 442.520 1.771 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 768307880 IFJAEBOMBWQZEG-OAQYLSRUSA-N 448.545 1.727 30 10 IDEE C#CCN(C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCS(=O)(=O)C1 774177463 JMWZMHJIDKCTLQ-QGZVFWFLSA-N 425.501 1.761 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 780178241 CSDRGIDOQYFPDQ-OAQYLSRUSA-N 433.461 1.369 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 784125468 PLKCNITWXYXNEV-SFHVURJKSA-N 427.530 1.207 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1C#N 785646547 LBZPPEIXLFDMQU-SFHVURJKSA-N 426.473 1.274 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 799837647 XHJJPLXRTPDIJM-PLRJNAJWSA-N 445.545 1.884 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccccc1 802262736 QUNPDROFNAVMLK-YJBOKZPZSA-N 429.550 1.113 30 10 IDEE C#CCCN1CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CC1 810203261 YPQPNIHHUQOGKN-LKJYPZGBSA-N 443.547 1.633 30 10 IDEE C#CCONC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 812785527 VENWQPIQYQTGJC-UHFFFAOYSA-N 442.902 1.839 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC(C)(F)F)C1=O 814709695 DYIQBNHHQPQPIY-OFBVGVCLSA-N 427.521 1.647 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H](C)F)cn1 814710575 UBHHEBYONOWGIB-HIFRSBDPSA-N 425.530 1.838 30 10 IDEE CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1 918172978 IIXKIAZFVBTOIG-UHFFFAOYSA-N 432.486 1.201 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1130119776 PVKNETBEZIOTIJ-LPHOPBHVSA-N 437.562 1.342 30 10 IDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OC 1132422420 SOWXXMPUSBWYLU-KUHUBIRLSA-N 425.844 1.870 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(O)(CN2CCOCC2)CC1 1137769508 DANLKONYYVUMNY-GOSISDBHSA-N 438.569 1.649 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)C2=O)cc1 1154116248 CCQAIOSWGHQBJB-MSOLQXFVSA-N 439.493 1.795 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O 1161392684 BRABYWOBMCCMHH-CQSZACIVSA-N 431.426 1.575 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2Sc2ccccc2)c(=O)n1CCO 1166714315 RYNJLHCTSJJACK-UHFFFAOYSA-N 436.493 1.972 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)c1 1177772015 FSROYPUDNMXRRJ-UHFFFAOYSA-N 440.587 1.854 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2O)c1 1193729809 JADXMGCDXYOHEE-KBPBESRZSA-N 432.502 1.645 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)C1 1233850831 DTPYXWAWFUSQIT-ROUUACIJSA-N 439.516 1.942 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1255060233 CZBIBCMTWZBKLX-JOCHJYFZSA-N 444.536 1.811 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cnn(-c2ccccc2)c1 1286360910 KOXUMBWJDUJJRY-MRXNPFEDSA-N 427.534 1.386 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1286361125 LLMSJXNXWTUOKJ-ZIAGYGMSSA-N 428.559 1.261 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C1CC1 1286410181 XNESIJDFRZVNEH-QGZVFWFLSA-N 429.528 1.748 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)c(F)c1 1286414958 FNDZTJUQQDTQHO-UHFFFAOYSA-N 436.491 1.351 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@H]2C1 1286534804 DBNHQEXNXISLQT-KBPBESRZSA-N 428.331 1.722 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1286561349 CLRANJDBLHEXNY-ZPHPHTNESA-N 427.509 1.443 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(=O)OC)CC1 1286568194 QPSHWLJKKUVKKE-OAHLLOKOSA-N 442.586 1.769 30 10 IDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287148089 LLCQBKSJFIRRIB-IERDGZPVSA-N 425.493 1.171 30 10 IDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H](C)CN1CCOCC1 1290858058 FPTLUHGIOBNGSF-QGZVFWFLSA-N 427.528 1.892 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)CC)c1 1300333224 YQNZRLTZFXQELK-UHFFFAOYSA-N 440.529 1.764 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300340357 XQEPSVYVPHYVNT-UHFFFAOYSA-N 445.549 1.201 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2cccc(OC)c2)CC1 1300681557 UBSDSYQHOBVJOA-GOSISDBHSA-N 440.548 1.648 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300990965 YZGDDRIVOYSHRF-ZHRRBRCNSA-N 446.552 1.579 30 10 IDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 1301223110 MVYFOTITNYTTCK-INIZCTEOSA-N 434.541 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301492659 MMDUMMDFSRDHDV-KGLIPLIRSA-N 431.884 1.230 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H]2C[C@H]1CO2 1301592936 GVEAQTHEEUXKDP-HOTGVXAUSA-N 436.509 1.965 30 10 IDEE CS(=O)(=O)NCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1302494557 AYDGCZZYJFOYDZ-UHFFFAOYSA-N 449.968 1.556 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1N1CCOCC1 1305147707 DXBAJAUGNCHPTK-QFBILLFUSA-N 444.561 1.018 30 10 IDEE COc1cc(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)ccc1C#N 1324233754 CZMFNZLCZDEFJP-UHFFFAOYSA-N 427.505 1.212 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1F 1358890857 WJEBOQUUAAVULI-DYVFJYSZSA-N 439.488 1.395 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cnn(C)c1 1358941324 FRBWDVUQMDTJET-UHFFFAOYSA-N 441.561 1.631 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1358978952 YXWOQHWGMKUUNE-GOSISDBHSA-N 425.514 1.260 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1359000014 JTCDXGLLERTQKO-CYBMUJFWSA-N 427.477 1.998 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS(=O)(=O)C1 1359020303 YGTHIUZXMACZIG-INIZCTEOSA-N 447.517 1.764 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nc2c(s1)CCCC2 1359023620 QDIPJSMFQJGFAZ-MRXNPFEDSA-N 428.562 1.893 30 10 IDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1359138863 GCASZQUOZBTQEF-QZTJIDSGSA-N 429.546 1.956 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1359151044 LQDWJCBVIDIELK-DLBZAZTESA-N 440.976 1.198 30 10 IDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359286564 BIAYKVJJKSAWSW-AWEZNQCLSA-N 446.508 1.922 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)CC1 1359291450 QICPZOAULKFICW-UHFFFAOYSA-N 425.537 1.354 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1359304560 BAMRBTRQBQZTSW-UHFFFAOYSA-N 444.511 1.603 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC(=O)N(C)C 1360250381 BPASFXHLWQKFTG-SFHVURJKSA-N 439.520 1.344 30 10 IDEE CC(C)OCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1360391401 YAUBKQIWJBWRMP-LJQANCHMSA-N 440.552 1.996 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1360469657 GAIVIJAIKQVQQO-HNNXBMFYSA-N 432.550 1.849 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1360688709 PCBWHLSJZNCGLR-AWEZNQCLSA-N 434.522 1.408 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1440687084 UIWOBPUWEPSDAR-AWEZNQCLSA-N 426.857 1.742 30 10 IDEE C=C(CN(C)C)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1440924350 HBNKFHZZXAOKHI-GZTJUZNOSA-N 449.529 1.983 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NOc2cccc(C#N)c2)c1 1454681900 JKIFWFKGNGXLOX-UHFFFAOYSA-N 430.486 1.429 30 10 IDEE CN(C)C[C@@]1(O)CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1471373920 NUTKMRWESGNOSU-CVDCTZTESA-N 428.533 1.918 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccc(N2CCN(C)CC2)cc1 1479605845 XHIPJZFRTURYDR-IBGZPJMESA-N 448.575 1.563 30 10 IDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCCO1 1494475462 ANIDPCBEWJPMFS-INIZCTEOSA-N 448.549 1.235 30 10 IDEE CCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)C1 1502274983 ULGLDLBCMPIGQE-MISYRCLQSA-N 438.532 1.519 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504604789 KPNZTFZDSLIEIB-JZXOWHBKSA-N 444.515 1.881 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1505136483 AXESLTXODBLFPQ-SFHVURJKSA-N 444.561 1.715 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1507917146 YULHSPXGWIVGOM-OAHLLOKOSA-N 444.623 1.796 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)[C@H](C)C1 1508078894 LNCJNUIURCMTSL-MRXNPFEDSA-N 442.520 1.133 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1508092759 QYHRCCOHUDDLLT-GJZGRUSLSA-N 441.458 1.598 30 10 IDEE Cc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)sc1C 1510419044 DSGWVAFGYNPVRT-GJZGRUSLSA-N 436.563 1.225 30 10 IDEE CNC(=O)c1cccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)c1 1517495887 PPENVGNDUDVPTI-GOSISDBHSA-N 437.529 1.771 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(OCC(N)=O)c1 1539037872 INXMHMBKFBPYOO-KNBMTAEXSA-N 427.505 1.372 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)c(OC)c1 1539147571 CGIZUNXTVXJVOW-ZDUSSCGKSA-N 425.942 1.862 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539211766 KXJDRAUFWZTPHK-FUHWJXTLSA-N 431.562 1.531 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1539338589 XKRRIBOCLPRGAD-OTWHNJEPSA-N 443.548 1.927 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1539454208 ZYTPZMFYLVNERD-UHFFFAOYSA-N 431.537 1.340 30 10 IDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1539792920 DORJOBPQYAGFCF-KRWDZBQOSA-N 449.987 1.699 30 10 IDEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539801938 LZEJGZRXYVYBDJ-UHFFFAOYSA-N 436.944 1.196 30 10 IDEE C[C@@H](CC#N)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1540239749 MHJHCQUFBRIFSG-JTQLQIEISA-N 435.287 1.916 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1540869466 OEWDIYONHNOVTO-UHFFFAOYSA-N 446.515 1.308 30 10 IDEE CCCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1547094184 MGCHIGQFBJNJCI-HTXNQAPBSA-N 443.533 1.642 30 10 IDEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1555924400 NADRZNHFZLXSOB-INIZCTEOSA-N 427.534 1.994 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CCCO)C1 1555983825 DJSZBFAOHPQJJU-HRAATJIYSA-N 442.499 1.214 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(=O)NCC#N)c1ccccc1Br 1556512795 OUBBBUHXIXUAQL-CQSZACIVSA-N 425.283 1.771 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1c1ccc(F)cc1F 1559928534 CNSZRVHXOVFDAA-QKNQBKEWSA-N 448.514 1.846 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CC1 1560008520 OKPCEAKKJIIFTF-SFHVURJKSA-N 428.499 1.277 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Br)cc(C#N)c1 1561587691 FDUZPSPBIMKJMG-CYBMUJFWSA-N 448.339 1.827 30 10 IDEE C#CCC1(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CCOCC1 1561938685 YCZINBYDHQDQBX-RTBURBONSA-N 436.530 1.514 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3F)nc2)CC1 1562724832 OARHLOMUERIMAW-UHFFFAOYSA-N 433.465 1.630 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)s1 1568413327 LHPYPBATTJZSFY-HNNXBMFYSA-N 427.592 1.467 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 1587644792 IHUDSQIRKKPQHS-CYBMUJFWSA-N 425.411 1.873 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588045052 GGDFQPYSRWICSR-SFHVURJKSA-N 443.573 1.797 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(=O)(=O)CC 1588109788 NRAQPGCWHFEJBC-UHFFFAOYSA-N 435.937 1.619 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588162658 WRDRJOJPUUUKRP-QFIPXVFZSA-N 442.541 1.096 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1588174659 ZNJZQBXONXPSHX-QGZVFWFLSA-N 428.537 1.890 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNC(C)=O)CC1 1588742518 RXSBRXVUQWDGAK-KRWDZBQOSA-N 428.512 1.839 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1589657391 BGIQCYQHMJLHMZ-KRWDZBQOSA-N 425.599 1.693 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1593747558 YUXACTRWQXZHKW-HXUWFJFHSA-N 446.596 1.509 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1ccccc1CC 1595537710 WRTJZOOJOWALJN-QGZVFWFLSA-N 439.520 1.169 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 1595884761 RYICSOPMNJRSPI-JYJNAYRXSA-N 445.611 1.144 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(C1)OC(=O)Nc1ccc(F)cc12 1606642628 WGIRXPJAHIOAKT-GFCCVEGCSA-N 444.444 1.664 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1619626933 BTVTUIJVPURYAH-QGZVFWFLSA-N 446.483 1.008 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1620062629 CAULIRSNKSGMFZ-KNQAVFIVSA-N 443.504 1.122 30 10 IDEE CS(=O)(=O)c1cc(Br)cc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1F 1623340271 MINNIASLJLDABC-UHFFFAOYSA-N 443.254 1.842 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(CN3CCOCC3)c2)c1 1624965037 JNMVREYXPIQUPN-UHFFFAOYSA-N 431.489 1.885 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2OCCOC)cc1 1631175585 YQUDNXKBWAOZIJ-UHFFFAOYSA-N 446.481 1.662 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)C(F)(F)c2ccccc2Br)CC1 1632623319 AEWREPGPDUKXJW-UHFFFAOYSA-N 428.277 1.825 30 10 IDEE C=C1CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCC)C1 1632670138 TYAUWFLEPSMWJW-UHFFFAOYSA-N 432.546 1.798 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 1636805180 ARMLDTMWTDGPBK-OTWHNJEPSA-N 436.597 1.987 30 10 IDEE C[C@@H](NC(=O)CCC(=O)N[C@H]1CCCN(O)C1=O)C(=O)c1ccc(Br)cc1 1641520968 JLJDQQQVCIXSKR-RISCZKNCSA-N 440.294 1.413 30 10 IDEE Cn1c(=O)oc2ccc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cc21 1642388277 VTLAKKQJCVMCMD-UHFFFAOYSA-N 428.470 1.267 30 10 IDEE Cn1c(N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c(C#N)c(=O)n(C)c1=O 1643149317 KTZWGUVGFOPHBE-JQWIXIFHSA-N 431.415 1.095 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)cc1 1645475885 AKWBECIWLAPQTA-UHFFFAOYSA-N 437.543 1.962 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2ccccc2-c2ccccc2)CC1 1650846022 GRGTVPLSHMHRPW-UHFFFAOYSA-N 427.526 1.734 30 10 IDEE CN(C)CCC[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1654363222 JQGSELBCSUQAKY-VXKWHMMOSA-N 431.556 1.577 30 10 IDEE CC1(N2CCOCC2)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1655280431 HTGZHWTYLBELEL-IBGZPJMESA-N 431.606 1.644 30 10 IDEE C=CCC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1656377102 LONRYLFKSZDPGF-QGZVFWFLSA-N 436.534 1.858 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1657711557 GGFBQMVZLQOGES-CVEARBPZSA-N 425.507 1.571 30 10 IDEE C=CCN([C@@H](C)COC)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1664407419 QBCNXILAJOGICM-HKUYNNGSSA-N 426.535 1.877 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)CC1 1671215652 ZGRRZUMQWUVMQI-UHFFFAOYSA-N 443.529 1.683 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689986303 MXIGZMWBUHJCFH-FUHWJXTLSA-N 433.578 1.971 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(-n2cncn2)c1 1690003355 LEGIGQWGDUFQLT-HSZRJFAPSA-N 431.500 1.632 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690122478 RWWBIBRUFSDOLN-FQEVSTJZSA-N 449.559 1.173 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690247469 BGMNJQJHMJNYBZ-KPFFTGBYSA-N 431.562 1.868 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690252628 HCGHSOXPJFQNRW-NVXWUHKLSA-N 432.525 1.316 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3ccnc3C2)CC1 1690396540 FNNOGCLPVGBDES-RDJZCZTQSA-N 433.582 1.750 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(N)=O)C1 1690680947 APBJIIXUTMRWMA-SFHVURJKSA-N 438.532 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](COC)C1 1690717977 XDCKESJADPPGIJ-OAHLLOKOSA-N 435.506 1.927 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1690733730 LVKVUZNSXCNWBT-KFKAGJAMSA-N 441.623 1.814 30 10 IDEE CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696400191 JVQJRFFFIRJTFH-QGZVFWFLSA-N 425.493 1.581 30 10 IDEE Cn1nnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@](C)(C#N)C2)n1 1696886170 CRPKDGPJKHXDJL-KRWDZBQOSA-N 445.329 1.748 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1705539107 JMRIMFPVHKHRRW-AVRDEDQJSA-N 431.537 1.171 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705556006 IAOWVNQVAOFSJE-IAGOWNOFSA-N 430.578 1.838 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705563659 BTZFRSASODJDTK-GOSISDBHSA-N 433.578 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1705596607 JEOPINPNZPCTCE-OAHLLOKOSA-N 427.306 1.898 30 10 IDEE C#CCSCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705665221 NJYZOKUQDBLEHK-SIKLNZKXSA-N 444.605 1.862 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908465 QCTOYSVDRRJVLA-ZSDSOXJFSA-N 447.515 1.793 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccco2)C1 1705934319 IMCIYVSJWLSRQR-ZBFHGGJFSA-N 435.506 1.001 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1705940023 SQQCBWCQAGEVCT-GJZGRUSLSA-N 442.611 1.009 30 10 IDEE CCCNC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1709819745 CKIRUMYINWCBKD-INIZCTEOSA-N 439.520 1.656 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1722383748 QZMIDJHVKAOUAY-MRXNPFEDSA-N 443.598 1.831 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1722432039 VOOCDHMAVJVINU-GAJHUEQPSA-N 440.523 1.791 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@H](OC)C(F)(F)F)CC1 1722450851 SCSUIWIWNNJOKX-HNNXBMFYSA-N 431.459 1.748 30 10 IDEE C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722620759 JXNTUUPCKVLMEI-INIZCTEOSA-N 444.923 1.624 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1722671989 HJOGPLMRXHFEMG-GOSISDBHSA-N 441.557 1.693 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccco2)C1 1722709797 YLBFSQPMRBMJSF-INIZCTEOSA-N 428.493 1.318 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)C1 1722714750 PDVLSSRGKNEDSI-CRAIPNDOSA-N 442.495 1.580 30 10 IDEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722853675 VNRUVLLLIFSTNH-INIZCTEOSA-N 448.535 1.187 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1724017230 FCVAHDNTCYZSIM-HZPDHXFCSA-N 434.566 1.225 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H](C(F)F)N1CCOCC1 1726388371 DAMWMJYXEKOVSK-KRWDZBQOSA-N 433.463 1.478 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)C#N)CC1 1728604394 AMABEQPIFJWFJF-XLIONFOSSA-N 427.601 1.762 30 10 IDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1730762757 LMAYYHGTIWCIDM-UHFFFAOYSA-N 445.524 1.535 30 10 IDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740623775 APLZLYYYYYLLBN-GOSISDBHSA-N 446.573 1.470 30 10 IDEE C#CCN(c1nnc(COCC)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740628420 QDWNFNWNQKEWII-LJQANCHMSA-N 437.610 1.563 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1740632479 KCRCNPBOLRQSDJ-DEOSSOPVSA-N 448.527 1.947 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1740653696 UXDCSZIJUJKBOX-UHFFFAOYSA-N 438.532 1.580 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740698665 JOMUIUPEGSTMJG-LEWJYISDSA-N 425.533 1.195 30 10 IDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1740747988 CUQNWXGRLNLATQ-UHFFFAOYSA-N 439.339 1.457 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCC)CC1 1740757827 RTIYVJOUVLBUFS-RXVVDRJESA-N 441.580 1.523 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1740774637 XBLIMQPOEAJRCC-IRXDYDNUSA-N 425.555 1.359 30 10 IDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740791649 OKVBEHQGHUAPJC-UHFFFAOYSA-N 437.552 1.774 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1740802397 KNPSLRWNRCMGRQ-ZDUSSCGKSA-N 439.973 1.736 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740955406 UAIRITBNQGGBRN-KBPBESRZSA-N 449.533 1.234 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1740960433 RJYQSCGXOSTHOL-SJLPKXTDSA-N 445.545 1.530 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740963601 PWYKUOCANQALBO-QZTJIDSGSA-N 438.532 1.491 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCCO2)CC1 1740991130 PCPJPOQJIJELCG-DLBZAZTESA-N 437.566 1.225 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1741002794 LSVPQUDAGKNUCX-JKSUJKDBSA-N 427.596 1.204 30 10 IDEE CCOCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1747146645 OYRWPTMHHFTZJF-LJQANCHMSA-N 446.577 1.695 30 10 IDEE CN(C)CCOCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1747601462 VEJXZCQVSRDBPZ-UHFFFAOYSA-N 426.569 1.747 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1748639119 BWYQCLJAMXNQAY-YESZJQIVSA-N 430.578 1.797 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCO[C@H]2CCOC2)CC1 1748979886 RJQGNSXQVCDRCW-FQEVSTJZSA-N 440.504 1.804 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1749044875 XIQMVEYCWCMAPD-UHFFFAOYSA-N 447.590 1.097 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OC)C1 1749726957 LDWJWQHFCYRXFX-KRWDZBQOSA-N 448.545 1.932 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1752278566 LMUCRIBAEPCMRU-LPHOPBHVSA-N 440.504 1.201 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1760144754 ANMISFNIZBENGJ-INIZCTEOSA-N 436.582 1.283 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1760188280 JFYRXCNBFZJVEU-GOSISDBHSA-N 425.518 1.172 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1760188835 MZZJHRDXLGFKMA-QZTJIDSGSA-N 444.561 1.711 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc(C)s1 1760195975 CJDGTFIWNRIGMN-UHFFFAOYSA-N 440.554 1.824 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1760257701 FOAVMLIRZGYUGW-BGYRXZFFSA-N 437.592 1.983 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1760265060 MPUFBGNMMCOSAQ-OALUTQOASA-N 442.564 1.295 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760280972 WAPTUAKHKVHCBC-UHFFFAOYSA-N 449.606 1.352 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1760324329 JMXICXCZVMAHGG-VGSWGCGISA-N 440.548 1.716 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1760522714 BYHXPABADPNQDE-GOSISDBHSA-N 425.468 1.698 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1760552843 CEMHMDDSBPWJNL-LJQANCHMSA-N 433.465 1.717 30 10 IDEE CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1761258888 HAIVHCNXGRHRSP-INIZCTEOSA-N 446.519 1.241 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1770316123 GZPHDGGKPNJXQK-RTBURBONSA-N 445.545 1.636 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2)C1 1770335547 FBQGJTJZIMBUGO-IBGZPJMESA-N 428.562 1.926 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1770646631 KUCVACILHWZMFO-NQSVHTAZSA-N 430.509 1.170 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1771224024 ZVEITXZHEYFIRZ-FUHWJXTLSA-N 434.541 1.570 30 10 IDEE N#Cc1cccnc1N(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)C1CCC1 1851990012 ANTRXTHHVUEZFS-CQSZACIVSA-N 445.467 1.947 30 10 IDEE C=CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1)[C@H]1CCN(C)C1=O 1852960558 YZETUPZBBFAGMH-MSOLQXFVSA-N 425.526 1.764 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1=O 1854958719 FQFAWMOSXHLPJI-GOSISDBHSA-N 439.965 1.881 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc3O2)CCN1S(=O)(=O)c1ccccc1C#N 1855734836 YLRKECMZTHZKOQ-KSSFIOAISA-N 425.466 1.310 30 10 IDEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870095457 LOVBCNVPTGYHHQ-UHFFFAOYSA-N 441.385 1.754 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C)cc3F)CC2)CC1 1889612225 OMMDVYRZNCVIJR-UHFFFAOYSA-N 437.581 1.945 30 10 IDEE CN(CC1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)CC1)c1ncccc1C#N 1891052543 XLPLMFDBJJHLLT-UHFFFAOYSA-N 445.589 1.832 30 10 IDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2255534296 FSISXMIRLWSCBM-OAQYLSRUSA-N 435.330 1.386 30 10 IDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255846057 GDQYOUYPIPVWPK-UHFFFAOYSA-N 436.314 1.538 30 10 IDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2260816170 JYSIZUQETRIJGD-OFAQMXQXSA-N 439.362 1.956 30 10 IDEE Cn1ncc(C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2267013723 ODIVVRLNTLFNHP-ROUUACIJSA-N 436.365 1.970 30 10 IDEE Cn1nc(C(=O)N[C@@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)cc1B1OC(C)(C)C(C)(C)O1 2267537471 QGSLZBIHHFIJAA-JLCFBVMHSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H]2COC[C@@H]12 2267569811 PNCCVRDVXCMXLJ-USXIJHARSA-N 447.341 1.678 30 10 IDEE C[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC=Cc2ccccc2)CC1 2330946114 JUKYMNUXLKURMX-GOSISDBHSA-N 438.553 1.971 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COCCN1Cc1ccccc1 2337193726 GMTDJBUMJWVWFF-GOSISDBHSA-N 440.353 1.350 30 10 IDEE Cc1cc(CNC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)cc(B2OC(C)(C)C(C)(C)O2)c1 2343643739 LTJSQZTVPLSOFN-UHFFFAOYSA-N 445.369 1.859 30 10 IDEE COC(=O)c1c(C)[nH]c(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2ccccc2)c1C 22694634 ZLYASKOXXUKFBH-UHFFFAOYSA-O 445.565 1.566 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 24351711 MPUDEHVUYWIXPI-CYBMUJFWSA-N 448.467 1.412 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 72444375 AIKLEMOFSXCUEG-HUUCEWRRSA-N 441.875 1.990 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 440034580 FTJWSYJJKURCDJ-QGZVFWFLSA-N 429.539 1.854 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440379341 YPWZXBDROLDAOS-UHFFFAOYSA-N 429.461 1.263 30 10 IDEE Cn1cc(N2CCC[C@@H](NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)C2)cn1 466046122 WVOPAROEIWBBET-QGZVFWFLSA-N 447.547 1.960 30 10 IDEE CCc1cnc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 466337638 PVWBJONPFXFVFC-UHFFFAOYSA-N 433.559 1.836 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 513787334 XJHUCCXQRBEVTP-UHFFFAOYSA-N 427.482 1.519 30 10 IDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CC1 539598625 PHZMOWBKUYKPNT-UHFFFAOYSA-N 442.541 1.003 30 10 IDEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)c1 546169526 YTHATAXKRDTGPC-LJQANCHMSA-N 432.484 1.816 30 10 IDEE C=CCNC(=O)Cc1noc(C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)n1 573848739 ZJLHFUCIHCVWEE-KPIIRZJKSA-N 444.491 1.861 30 10 IDEE CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2ncccc2C#N)CC1 590572887 RDSPBYYZSONRHT-UHFFFAOYSA-N 430.490 1.876 30 10 IDEE N#Cc1cccc(N2CCN(C/C=C\CN3CCN(c4cccc(C#N)n4)CC3)CC2)n1 612830904 OZKNYRKIYDKRGH-UPHRSURJSA-N 428.544 1.720 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncc(C#CCCO)s1 703981483 CFGTUVIHVMMUSR-UHFFFAOYSA-N 447.538 1.941 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 734271130 DNAIMFPMURTKNV-MSOLQXFVSA-N 437.585 1.651 30 10 IDEE N#Cc1ccccc1N1CCC(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 749529707 FOMLEXVBPFUQIW-UHFFFAOYSA-N 443.507 1.715 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 753754570 VCWBVCKTIGWMCE-HOCLYGCPSA-N 438.575 1.344 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)[C@H](C#N)C1 755547683 AXYLLPJIPIBGFY-CRAIPNDOSA-N 443.504 1.337 30 10 IDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758646533 YVHUDSKJLHZCLK-LEJBJHNTSA-N 435.502 1.910 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1 765892412 OQDLXIFXRYQYIU-WBVHZDCISA-N 448.499 1.616 30 10 IDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCN(c3ncccc3C#N)CC2)n1 786739575 NWFSPFPQDOWLEC-UHFFFAOYSA-N 431.522 1.247 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)CC1 798289076 CYGOXDONPGKHAM-LJQANCHMSA-N 434.581 1.696 30 10 IDEE C#C[C@@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 798364541 MQERUBDNWKOMBJ-DLBZAZTESA-N 431.562 1.747 30 10 IDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCO3)CCO2)c1 802689076 JLYCYLFBTNYQPM-UFYCRDLUSA-N 425.489 1.995 30 10 IDEE Cn1cc(/C=C\C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(=O)n(C)c1=O 807224437 WBTPCSMCAJZBKU-HJWRWDBZSA-N 442.497 1.481 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c(O)cnc2c(Br)cccc12 810381944 BQZYOKSKRIAXCJ-FBMGVBCBSA-N 431.246 1.959 30 10 IDEE Cc1cccc(C2(O)CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 810441414 LAELOKFEDXBJSX-UHFFFAOYSA-N 427.526 1.964 30 10 IDEE C#CCN(C)c1cnc(-c2noc(CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)n2)cn1 813340043 OEKXCZJUCYNDGQ-HXUWFJFHSA-N 443.467 1.572 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CC[C@@H]2C[C@H](C(=O)OC)CO2)c1 1125418275 CSPCLPAIJYPXNB-AZUAARDMSA-N 428.485 1.218 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CC1 1133097879 RYNRORHJBJYTHQ-WKILWMFISA-N 436.530 1.647 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cnc4n3CCOC4)CC2)cc1 1134895383 OGEBQUZORMWJIG-UHFFFAOYSA-N 429.502 1.002 30 10 IDEE Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1C(F)(F)F 1136149704 VKNZHBNTCHTXJD-UHFFFAOYSA-N 441.435 1.615 30 10 IDEE CN(C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1)S(C)(=O)=O 1136440809 FKSUVRLINFZFTI-UHFFFAOYSA-N 430.324 1.582 30 10 IDEE C#CCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)CC1 1155872853 FNDRJUOROPFKEG-OAQYLSRUSA-N 449.573 1.365 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2 1159475444 AGMDEXFSIFUVLM-RHSMWYFYSA-N 448.545 1.741 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12CCCC[C@H]1CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1160017613 SFVPBKWKXKHJPK-KSFYIVLOSA-N 445.520 1.754 30 10 IDEE C=CCOc1c(Br)cc(CNCCS(=O)(=O)N2CCOCC2)cc1OC 1177753842 SLUDHNKFJQZQON-UHFFFAOYSA-N 449.367 1.774 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(n2nncc2I)CC1 1196124193 LDKATGYQZUTDNC-BLLLJJGKSA-N 444.321 1.963 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CC(C)C)N[C@@H](C)c2ccccc2)CC1 1223831976 PALPQAYWFFJHDZ-FPOVZHCZSA-N 449.621 1.547 30 10 IDEE C#CCN(C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1225172039 VHTAWDVDTATZHX-QZTJIDSGSA-N 436.553 1.667 30 10 IDEE C#C[C@H](NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1)[C@@H]1CCCO1 1234636842 OYDFZRNGBGJASD-ULQDDVLXSA-N 435.521 1.799 30 10 IDEE C=CC[C@@H](CO)CNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1255639961 YKPMFMSOBZZOHK-HZPDHXFCSA-N 425.526 1.803 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2=O)cc1 1278784312 SNTLVCVSTQVOGS-MRXNPFEDSA-N 442.497 1.422 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1286273038 DBDUWTRPQDXEEU-HXOBKFHXSA-N 443.523 1.886 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1286314266 MPPWSJXOYZQXOR-FAEJEUNOSA-N 438.598 1.575 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)c1ccco1 1286369337 MEOSNEIHKJCLQE-UHFFFAOYSA-N 431.456 1.284 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1 1286400607 CSHQYEWJAYETHD-NDEPHWFRSA-N 430.555 1.333 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1286424490 WOLJCFLYIQHGTG-FQEVSTJZSA-N 432.933 1.611 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@](C)=O)CCC1 1286466785 NFUJLALMYDPQOJ-HKBQPEDESA-N 440.573 1.904 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1286479994 ZCKRPDDAFJNHQD-UHFFFAOYSA-N 429.590 1.878 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286506448 JADYGWDQVQHUKM-CVEARBPZSA-N 432.550 1.011 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286612545 VOYUFAIXUMWLQU-VQTJNVASSA-N 446.596 1.508 30 10 IDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286769555 AHDOWWACSXRWMM-CQSZACIVSA-N 448.325 1.988 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1289085403 KNXHANCXCZREND-UHFFFAOYSA-N 434.504 1.901 30 10 IDEE Cc1nc(Cc2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(C#N)o2)cs1 1290388481 NXHAPFDZLQXGQN-UHFFFAOYSA-N 441.517 1.442 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1299262173 JQQOBESTYFAJHU-QGZVFWFLSA-N 434.504 1.592 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1300433209 ZXDDXNKPMXUXPE-UHFFFAOYSA-N 437.548 1.381 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1300473531 XHJXKANPMZFVNC-QZQOTICOSA-N 431.456 1.325 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1300556528 IOAISTCNJMZQQS-HTAPYJJXSA-N 441.557 1.185 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCc2nnc3n2CCCCC3)n1 1300677120 XSVBYZSDMCACJT-UHFFFAOYSA-N 437.552 1.630 30 10 IDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300755071 ZZZJFIKSLUMLAW-QGZVFWFLSA-N 448.618 1.654 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1301381264 XSEOOYHGNHGKGX-UHFFFAOYSA-N 431.566 1.895 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2C)C1 1301478400 JZNDOUIJMWGCPJ-SFHVURJKSA-N 426.521 1.605 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 1301501616 ZOUFULDFDNMDHM-GFCCVEGCSA-N 433.456 1.181 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(Cl)cccc2C1 1301509934 QZJDHWVWAHCXKP-UHFFFAOYSA-N 428.924 1.919 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1301609849 PIVLTGIXCPHDJA-MSOLQXFVSA-N 433.626 1.365 30 10 IDEE CS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1302501202 QMMYXVZCLVPBRP-GOSISDBHSA-N 444.561 1.762 30 10 IDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCCCS1(=O)=O 1306192579 BVJOQKUPCKLVLP-INIZCTEOSA-N 446.581 1.048 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3)c2C(F)F)CC1 1310945207 CUPNIQCYHOPMHM-UHFFFAOYSA-N 438.460 1.427 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1=O 1316125914 QRYDYWXLGSOQKS-KRWDZBQOSA-N 446.458 1.536 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1316297220 IBWWNKJDEXVSHF-YHDCXSKOSA-N 432.569 1.851 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@H]1OC 1359003182 BBAMIXSOEGDLEI-IEBWSBKVSA-N 432.546 1.860 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1359024312 KMZSDVJUFQDFTQ-SJORKVTESA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3ccnc3)c2)CC1 1359028640 ZABXHTUDAMYXKH-UHFFFAOYSA-N 446.559 1.465 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1359238265 FLJOUUQNVMDAOA-HNNXBMFYSA-N 437.504 1.711 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359300805 KLAWSBNFKNDDGX-UHFFFAOYSA-N 440.614 1.419 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC1CCN(Cc2cccs2)CC1)c1cc[nH]n1 1442570847 AVCUNHJHWFZUFJ-UHFFFAOYSA-N 433.534 1.783 30 10 IDEE Cc1cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)nn1CCCOc1ccc(F)cc1 1447228505 PFKUBHVMJJQSLN-UHFFFAOYSA-N 440.435 1.963 30 10 IDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O 1448841415 WEANINDXEZGAQE-ZWKOTPCHSA-N 432.908 1.460 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)s1 1463811461 RCSMIAQDITZBEM-AWEZNQCLSA-N 431.605 1.523 30 10 IDEE CCN(CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)S(C)(=O)=O 1464360655 SKLRFWAUIDVLSU-UHFFFAOYSA-N 443.367 1.545 30 10 IDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)C1 1464502688 YQSZEEZULRFDFQ-CYBMUJFWSA-N 441.340 1.915 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1494658820 FZBZSTGCUSYYMW-SBUREZEXSA-N 439.564 2.000 30 10 IDEE CCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1500769901 HQTPQFUOHITNDM-UHFFFAOYSA-N 447.561 1.905 30 10 IDEE Cn1ncc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)n1 1503691158 DHRGDMHFFBCGSA-MRXNPFEDSA-N 432.554 1.072 30 10 IDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507618664 QTERNVQVOGZXAU-UHFFFAOYSA-N 447.591 1.794 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)C 1507659694 CTXONHHQVBZBCW-FHWLQOOXSA-N 435.594 1.802 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](OC)C(C)C)CC1 1507727642 RHFMYNRKRFVPIQ-QGZVFWFLSA-N 430.578 1.696 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1508076888 WMVCZEHJJWPZLB-IAGOWNOFSA-N 444.511 1.380 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1508081581 LNDJVSGSYYQTDN-GOSISDBHSA-N 425.468 1.698 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(=O)C(C)C)CC1 1508135912 CJANPOFKCVFZLR-UHFFFAOYSA-N 434.566 1.569 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)COC)CCN2C1=O 1515753388 ATTQRDGOMNQRJE-MAUKXSAKSA-N 437.504 1.572 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)c1 1516183305 DCNMMQPCYOIRTJ-UTDQILSNSA-N 440.525 1.896 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C1 1517511459 BPIVACDOGXMXMW-HXOBKFHXSA-N 438.532 1.852 30 10 IDEE COCCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1519056110 PAIBYPUYCITPKI-UHFFFAOYSA-N 426.525 1.634 30 10 IDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1528123705 WEQSVGGHKWCHGW-GJZGRUSLSA-N 435.488 1.883 30 10 IDEE C[C@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 1529448659 MBMWKYHXYJCHJH-HZPDHXFCSA-N 436.534 1.787 30 10 IDEE C=CCCn1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)nn1 1531381004 OSSYKWMBZCVSQE-TZMCWYRMSA-N 445.442 1.848 30 10 IDEE C#CCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1533797110 IHNAXDNGLUQOSI-UHFFFAOYSA-N 442.541 1.366 30 10 IDEE N#C[C@@]12CN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1538539701 KZOONNLRSFHGMV-JOQOYGCGSA-N 439.946 1.252 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1538964342 WVORHYSDCUZQFI-OAHLLOKOSA-N 433.534 1.357 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OCC)cc1 1539011643 CNZRQYARCYIRLG-LPHOPBHVSA-N 447.561 1.516 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(S(C)(=O)=O)CC1 1539201088 VUOCJGKURMNADA-GASCZTMLSA-N 437.566 1.695 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539219219 BOJUCLCHWUUSCZ-GOSISDBHSA-N 433.578 1.621 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1539361693 BAOQGSFNDRXYRP-UHFFFAOYSA-N 435.532 1.374 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCOCCCO)CC1 1539476071 RSSYPEHOUCSNQM-UHFFFAOYSA-N 445.951 1.963 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1540864784 KOOWBRPCAZQGMH-UHFFFAOYSA-N 439.907 1.557 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540874936 WSWDOUKJQBGXAF-IBGZPJMESA-N 435.532 1.644 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1541053683 FPHWEQPBJUOVGX-SFHVURJKSA-N 434.508 1.246 30 10 IDEE C=C(Br)CNC(=O)c1ccc(I)cc1-n1cnnn1 1542487644 VLEQCWMUALAVGY-UHFFFAOYSA-N 434.035 1.905 30 10 IDEE CCOCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1548234968 UHXCURRCLDHWML-GOSISDBHSA-N 438.536 1.919 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1555991992 CKRKSBJDIHRYQN-HUUCEWRRSA-N 431.294 1.715 30 10 IDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 1560080256 UXBPLASQXWMTJG-UHFFFAOYSA-N 433.461 1.986 30 10 IDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1564790024 DTCZYDYGUSGUCG-KGLIPLIRSA-N 433.452 1.853 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1564964336 AVRLTGYFKBWNAC-CVEARBPZSA-N 428.470 1.351 30 10 IDEE C[C@H](NC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCN1C 1565833709 MSCBVITWZVLCRA-HNAYVOBHSA-N 425.493 1.736 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1c1cc(F)cc(F)c1 1584631671 BSVWPNVVVBTASG-KRWDZBQOSA-N 435.452 1.994 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C(F)(F)c2ccccc2C#N)c1 1585280358 WXQILIJQGREWQC-GFCCVEGCSA-N 436.440 1.702 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(O)CCO[C@H]2C)c1 1587697066 JASMZZOZTQYHDB-KSFYIVLOSA-N 427.505 1.411 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1588049108 AHNIGDBFMAUSRG-JXFKEZNVSA-N 448.618 1.337 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CCOC2)CC1 1588732793 GEUDYYSQGQFPAU-QHCPKHFHSA-N 438.532 1.054 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588835605 CNCPPNRFDJETAA-SFHVURJKSA-N 447.992 1.712 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1588876882 MFUOXEZLWPDGTO-QHCPKHFHSA-N 440.617 1.701 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCSC1 1589216063 JCDPCQCJXYMQMZ-GPMSIDNRSA-N 439.607 1.356 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1595476359 KHUBPYWZSVMPGX-BQFCYCMXSA-N 446.577 1.573 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1595543933 BUNFSQMYNQJQLY-ZDUSSCGKSA-N 441.458 1.863 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1595804967 JLVOYYDBDXPPQS-KRWDZBQOSA-N 447.609 1.999 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1613428693 CBHPMMUGQDZOEP-APWZRJJASA-N 426.521 1.973 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1613545810 OBFMJVXXOMLCSP-SIRIWSTISA-N 441.536 1.712 30 10 IDEE C[C@]1(C2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)NC(=O)NC1=O 1618696819 VABANFPRJSOFLN-GOSISDBHSA-N 435.278 1.536 30 10 IDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C[C@@H](C)O1 1619753347 BOXAWEXOUAAKTC-VQIMIIECSA-N 442.520 1.493 30 10 IDEE COCCOc1ncccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1620040206 VQGMXCFLTYKDMO-NRFANRHFSA-N 443.483 1.425 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1620111298 QIHLHKSXAPMCNY-IHPCNDPISA-N 440.504 1.738 30 10 IDEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1620293465 BPLHXWNFCQNTDF-HNNXBMFYSA-N 428.584 1.104 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1622351921 PLGZROASHJIGPN-MOPGFXCFSA-N 438.569 1.913 30 10 IDEE C=CC1(CC(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)CN(C(=O)OC(C)(C)C)C1 1625970848 LTYPNNOHZDBOAW-UHFFFAOYSA-N 432.525 1.541 30 10 IDEE CN(Cc1ccccc1S(N)(=O)=O)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1636403003 PAXKETXSBYSQNE-UHFFFAOYSA-N 435.546 1.943 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3OC)cn2)CC1 1643372431 LCPKQJDATZYXPP-UHFFFAOYSA-N 430.486 1.108 30 10 IDEE COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1644133693 HUFFPNNUEAEBQP-UHFFFAOYSA-N 440.378 1.410 30 10 IDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1648714772 FNALAERVKUYMKF-QFIPXVFZSA-N 440.525 1.800 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1652919765 POZJWMFWEJFSBZ-INIZCTEOSA-N 431.470 1.437 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 1653725379 HITUPQORBALKGX-ZDUSSCGKSA-N 432.951 1.979 30 10 IDEE C=CCOC[C@@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OC 1668852671 WXLOLVXHCGHFCC-GFCCVEGCSA-N 436.280 1.341 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1689917775 GNBYOVVCPRBKAO-SFHVURJKSA-N 427.486 1.893 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689997200 XQFCYSDTORPTET-SFHVURJKSA-N 446.573 1.953 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690155246 IFDQFDSZZPMKPQ-FQEVSTJZSA-N 425.518 1.151 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690497225 KQLDLXDLZJCMRO-MRXNPFEDSA-N 428.493 1.908 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)C1CCCC1 1690527203 KYHKRNTWGZDJNK-KRWDZBQOSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1690668222 XEXPNLBXQYILRV-UHFFFAOYSA-N 448.487 1.877 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)c3nc(CC)no3)CC2)nnc1C(C)(C)C 1690678539 ZNDABYIGOTWQAY-HNNXBMFYSA-N 430.557 1.706 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)C1 1690700353 QXWALHMBWYEYDY-HOTGVXAUSA-N 439.582 1.266 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690729553 QFUXQEFCTLOKIN-FQEVSTJZSA-N 438.525 1.652 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1690746712 HVJDMLBCJKFHSZ-INIZCTEOSA-N 427.596 1.687 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1ccco1)N(C)C 1692781584 HWIWIAOCSTVJKA-IYOUNJFTSA-N 439.517 1.226 30 10 IDEE Cc1c(Cn2c(CC(C)C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cnn1C 1692942280 GHPBAXVRPWUTSP-MRXNPFEDSA-N 434.552 1.944 30 10 IDEE COC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697092264 GEDPSUBBACYJBP-SJORKVTESA-N 440.552 1.974 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NCCC 1705494727 FAHPJGCUHGAWTB-IAGOWNOFSA-N 448.568 1.961 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1705551784 DPMGKSCVDSNCHM-QGZVFWFLSA-N 430.553 1.988 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705558787 IEFHUGAGFIZLJX-QGZVFWFLSA-N 449.577 1.100 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1705562060 XKUHNCJFDSBRTR-RXVVDRJESA-N 436.578 1.912 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nncn2C)CC1 1705650641 WLYDBAWILOVGBD-UHFFFAOYSA-N 448.531 1.020 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705873370 GVGATMFBSCAGJU-HNNXBMFYSA-N 432.525 1.701 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705904117 GCDQGHBBDQTTHE-KXBFYZLASA-N 440.504 1.150 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705932946 PFSNWZVCGBCUKH-DOTOQJQBSA-N 445.545 1.269 30 10 IDEE C=CCSCCn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1705949704 GOCODXZWIHCAOY-CYBMUJFWSA-N 427.556 1.007 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709902900 DFRCMUPUXFINQH-INIZCTEOSA-N 446.519 1.195 30 10 IDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1711267197 HPQDYYQEVWNKQU-GOSISDBHSA-N 440.529 1.627 30 10 IDEE COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1712467520 GBNZNWUSZGSCSG-IERDGZPVSA-N 431.541 1.041 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1722292577 JTEOXCQCPHAFIY-OAHLLOKOSA-N 443.511 1.705 30 10 IDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722334357 FOLWJCWLKCCIMH-IBGZPJMESA-N 428.562 1.682 30 10 IDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N1CCOCC1 1722356994 OVXUCLDESANVAQ-QGZVFWFLSA-N 428.562 1.605 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCC(C)C)[C@@H]1CCS(=O)(=O)C1 1722367090 KOVIOPLMMDHBPH-CVEARBPZSA-N 439.607 1.245 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1722396475 IYJUGRMJJFMGQT-SFHVURJKSA-N 433.578 1.676 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1722410916 SVJAPHIKNNFDHW-RTWAWAEBSA-N 436.560 1.694 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1CCN(C(=O)OC)CC1 1722425886 PCPSRGGXMLLJPV-UHFFFAOYSA-N 426.521 1.828 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCCOC)CC1 1722437009 IXWRRCPZTFHOKH-IBGZPJMESA-N 426.521 1.006 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCCCC2)CC1 1722448680 XEFSQPODDRLCIF-LJQANCHMSA-N 429.565 1.833 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722535316 FOAJLMSXUWVCRD-OAQYLSRUSA-N 448.593 1.747 30 10 IDEE C=C(Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1)c1ccccc1 1722539349 NLAMRNHUNBVFEV-IBGZPJMESA-N 426.565 1.963 30 10 IDEE C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1722551512 ACGJTDYUQZRUCL-UONOGXRCSA-N 440.932 1.651 30 10 IDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H]1CC 1722698479 ZFZNVKYZTCEDPF-OAHLLOKOSA-N 431.566 1.919 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(C)(=O)=O)C1 1722720402 KTQNRMRKERWRLR-CQSZACIVSA-N 439.563 1.096 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740579349 NEWFGCMTZLLGDG-HXUWFJFHSA-N 449.559 1.276 30 10 IDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1740619655 MLIWUXAXCMMHBK-UHFFFAOYSA-N 427.530 1.359 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1740640731 VABFGEVYDORJKD-IBGZPJMESA-N 434.562 1.086 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN2CCCC2)CC1 1740696313 QTKVIRCVTJTYOZ-LJQANCHMSA-N 448.637 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCSC2)CC1 1740706371 SQKBYWOIYTVSER-RDJZCZTQSA-N 430.578 1.338 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCn2nc(C)nc2C1 1740752065 SEDIUFCPTMCPNQ-IEZWGBDMSA-N 431.541 1.903 30 10 IDEE C=C(C)COCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1740799029 FKWOZLLDYABICT-OAQYLSRUSA-N 437.541 1.801 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1)C1CC1 1740911380 ZZDKNTCOLSKXAQ-IEBWSBKVSA-N 437.610 1.692 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740954609 PTEYNXFDEUEAJD-KRWDZBQOSA-N 428.518 1.132 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748812085 PMRXOWCOGBQBKT-RTBURBONSA-N 445.545 1.162 30 10 IDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1749029892 ZISDMKQJZYUFDH-UHFFFAOYSA-N 430.559 1.265 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1749127932 PVVWKLMYMMWCCV-XSYGEPLQSA-N 433.553 1.841 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1749703344 GQLYYLDETLMKEV-NQIIRXRSSA-N 443.529 1.148 30 10 IDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1750048115 MMSUEMAHBSIOHF-LJQANCHMSA-N 448.531 1.982 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)Cc1ccccc1 1750909315 BXZVRPUKNKFAKD-INIZCTEOSA-N 432.550 1.770 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccco1 1760222541 OMGOYJPJSFGNIP-HKUYNNGSSA-N 425.489 1.488 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1760243974 VMTRWPXPWDFWEJ-UHFFFAOYSA-N 430.553 1.249 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760272573 OVVVWOBCRLYQOU-DLBZAZTESA-N 432.594 1.810 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCOC1 1760336844 KHKHRFRAABWSKF-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1760361952 XCOPULJMUJFGSV-LEWJYISDSA-N 435.525 1.554 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1760422065 IBFFCNGUECKFTJ-BBWFWOEESA-N 427.571 1.629 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2([S@@](C)=O)CC2)CCOC1 1761285205 WPPMPZDUFVVUNI-BHKGNFJISA-N 425.530 1.672 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1763297872 XMDPDKATPIHGPN-LJQANCHMSA-N 426.521 1.711 30 10 IDEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1763617864 IKJJOTJPGSDZAW-PLNGDYQASA-N 437.548 1.668 30 10 IDEE CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1764693849 VLTUPYQBLPLMDX-UHFFFAOYSA-N 432.488 1.277 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1767424259 SSTDQJWGHNCWPH-OAQYLSRUSA-N 442.545 1.308 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1770636728 OZUIQCCRYDSGFV-KDDVOAFDSA-N 437.504 1.728 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CC1 1771220149 VOXFJHDZQKEFPV-CVEARBPZSA-N 426.525 1.789 30 10 IDEE N#CCCN(CC1CC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1771538240 IZSMHUFSAYLCSJ-VZCXRCSSSA-N 432.488 1.997 30 10 IDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC#CCN1CCOCC1 1851728176 CMGZYNCUMYHNRP-IBGZPJMESA-N 441.981 1.485 30 10 IDEE Cc1ccc(S(=O)(=O)C[C@H](COc2ccc(C#N)cc2)OC(=O)[C@@H]2CN(C)C=N2)cc1 1851917916 QFDFOKOQQDHGBD-FPOVZHCZSA-N 441.509 1.974 30 10 IDEE CN1CCN(c2ccc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc2)C1=O 1852246252 XMRBYTNFXTYUHW-UHFFFAOYSA-N 434.500 1.804 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)[C@H](F)CC(F)(F)F)C1=O 1854283997 RLWFYIDBZZDKGR-TZMCWYRMSA-N 428.390 1.277 30 10 IDEE CCCCCCCOc1cn(CCOCCO)c(CN2CCC(C(N)=O)CC2)cc1=O 1870414608 SLZQDOVQTJQFAA-UHFFFAOYSA-N 437.581 1.904 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(I)cnn1C 1988517255 QIDANOAAGVWJAN-NSHDSACASA-N 432.262 1.558 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNCc2occc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2041350999 SPWLCAUVFSCQLQ-UHFFFAOYSA-N 435.330 1.391 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1ccccc1C#CCO 2145935786 CCIIPBOZAPBBRE-UHFFFAOYSA-N 426.494 1.526 30 10 IDEE C#CCN(CC(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 2250815987 GBHAJBULRPWAOX-UHFFFAOYSA-N 447.479 1.590 30 10 IDEE Cn1nc(C(=O)NCC2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255624179 CSYYHMPLJBFRDE-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644781 KWELPILKWXIJHL-ZFWWWQNUSA-N 432.330 1.904 30 10 IDEE CCC[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2255861075 KVPSKEAZVWNLJF-CYBMUJFWSA-N 437.350 1.538 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2255925738 BQLJUGNAXBENFZ-CQSZACIVSA-N 436.314 1.307 30 10 IDEE CC1(C)OB(c2cnc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2267167072 AUEAJXYRGXSQPL-QHCPKHFHSA-N 438.337 1.143 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2267275599 PWCZGTLOXYQHQT-RCDICMHDSA-N 444.341 1.763 30 10 IDEE CO[C@@H]1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2267477542 MRURMYBTKHKTEZ-IAGOWNOFSA-N 447.341 1.745 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCOC[C@@H]1OCc1ccccc1 2267482845 JIMUZRIYRANTEZ-MOPGFXCFSA-N 441.337 1.823 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2267501076 SCFPWPZXPLTLSK-MJGOQNOKSA-N 441.337 1.823 30 10 IDEE CC[C@H]1[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2267543083 BHSZMBYVBZQZLL-KBPBESRZSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2268624253 SJHBSNWKGDFOQP-GDBMZVCRSA-N 447.341 1.937 30 10 IDEE Cc1nc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268647048 MMGZDBSLCISTSJ-ZFWWWQNUSA-N 448.329 1.393 30 10 IDEE CC(C)[C@@H]1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OCc1ccccc1 2370879794 VLWOAQAYYINXRT-NNMXDRDESA-N 436.574 1.939 30 10 IDEE C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1 34677827 YPKVPIKEPOFWNK-OAQYLSRUSA-N 445.608 1.820 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 250058119 OYYFBUNUNBKXJC-LVGQOLGVSA-N 436.493 1.205 30 10 IDEE C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)nnc1-c1cccnc1 253569206 MBOABJRVVFVHNE-UHFFFAOYSA-N 443.577 1.287 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 465126542 FKVBBBWBISSQHR-HNNXBMFYSA-N 448.508 1.747 30 10 IDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1 470201907 TUXPGRHZDQKBAZ-UHFFFAOYSA-N 428.514 1.996 30 10 IDEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@H](C)C1 471032393 YZXFGQSKDSSAID-OAHLLOKOSA-N 425.489 1.287 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 478847990 LQXZDRIQQRZEDW-OAHLLOKOSA-N 448.529 1.726 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nnc3ccccn23)CC1 479970906 XNZINLHHSIGXGW-OAHLLOKOSA-N 438.513 1.674 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 489341945 MARLWVOWMNMHRY-FQEVSTJZSA-N 444.598 1.759 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC[C@@H]1CS(N)(=O)=O)CCCC2 495057968 HKVKCZKAHVJESJ-CVEARBPZSA-N 449.577 1.109 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCC(C)(C#N)CC2)c1OC 507822282 DRYMQZMEWZYWHX-UHFFFAOYSA-N 437.518 1.491 30 10 IDEE CS(=O)(=O)N1CC[C@@H](CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 514127490 VSYDSDJDMOARQJ-MAUKXSAKSA-N 441.395 1.913 30 10 IDEE C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 518849830 AQGRDFUYDBCOCX-QRVBRYPASA-N 425.595 1.253 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cscn2)c1=O 522275510 GDRRPSRGXZOOSH-UHFFFAOYSA-N 441.534 1.797 30 10 IDEE N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 539097854 RCNMRQKHVJGGPP-VQTJNVASSA-N 437.521 1.877 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@H]1CCCO1 542002157 MFBLKSHSOYXGRW-GFCCVEGCSA-N 433.511 1.787 30 10 IDEE N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)cc2)c1N 554830936 TVELMSNNFHGIMN-SFHVURJKSA-N 430.468 1.736 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)c1 573492295 BORQJZYIYCCLMA-INIZCTEOSA-N 448.495 1.896 30 10 IDEE Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cs1 590973420 KDJCQSZJJHFYMX-UHFFFAOYSA-N 426.498 1.585 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)CC2)nc1 609001010 IELMHTXAVUHRJO-JOCHJYFZSA-N 434.544 1.640 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 610926517 MFLVXKRCIOTKKS-LPHOPBHVSA-N 430.505 1.902 30 10 IDEE COC(=O)c1ccc(C(=O)NCC#CCNC(=O)c2ccc(C(=O)OC)c(F)c2)cc1F 614022046 KTOYVWAAOHENGW-UHFFFAOYSA-N 444.390 1.701 30 10 IDEE N#Cc1ccc(N2CCC[C@H](N3CCN(c4ccccc4S(N)(=O)=O)CC3)C2=O)cc1 615456297 UYZXPNKBHCTSDX-FQEVSTJZSA-N 439.541 1.523 30 10 IDEE COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 619209591 QBOXPHFHNIGXEO-UHFFFAOYSA-N 444.469 1.037 30 10 IDEE COc1cccc(N2CC[C@H](CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 726563540 BVAKHCYUZFGOLX-MRXNPFEDSA-N 442.541 1.767 30 10 IDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 729330655 GXWDMBCEGDIQHE-HNNXBMFYSA-N 444.962 1.387 30 10 IDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(c2ccccc2F)C1=O 732791305 ZRUGFVNIZZBSQI-INIZCTEOSA-N 430.461 1.128 30 10 IDEE C=CC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 735113291 NXGKWURBJYHJBM-OAHLLOKOSA-N 429.564 1.379 30 10 IDEE Cc1c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnn1-c1ccc(Cl)cc1 742294715 AZAWVPDJXSHZSJ-ISLYRVAYSA-N 435.893 1.639 30 10 IDEE Cc1ccn2c(CN3CCN(C(=O)CCN/C(O)=C4/N=CC=CC4=O)CC3)c(C)nc2c1 746100344 FUPXIZFXBMGZEC-FCQUAONHSA-N 436.516 1.512 30 10 IDEE CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cn1 748065957 OOLHFEVHKUSADZ-KRWDZBQOSA-N 440.569 1.913 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758076567 PJRKPEXPBYZCMB-CQSZACIVSA-N 443.594 1.556 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1 758773880 SSGXXXMIYONDAH-ULQDDVLXSA-N 435.525 1.026 30 10 IDEE CN1CCN(c2ccnc(-c3noc(C/N=C4/NS(=O)(=O)c5ccccc54)n3)c2)CC1 762277459 JXGBZFXCFKMTSX-UHFFFAOYSA-N 439.501 1.122 30 10 IDEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1Cc1ncn(C)n1)c1cccs1 768415419 AWFADQSSDDQEKM-XSKNQQEVSA-N 449.606 1.506 30 10 IDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774020409 BIQZVCUIYCGFRQ-INIZCTEOSA-N 427.548 1.370 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCCC(=O)OCC#N)CC1 775061212 KECQWIVETWRVDH-UHFFFAOYSA-N 443.909 1.419 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](Cc1cccc(F)c1)C(=O)O 776639994 MYBDSOSBNYZKEB-OAHLLOKOSA-N 447.488 1.704 30 10 IDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cnn(C)c1SC 791789300 RBINVWFQZIOMIR-UHFFFAOYSA-N 441.469 1.679 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3COCCO3)n2C[C@@H]2CCOC2)c1 812380764 PEALWQCZHBZQIG-PKOBYXMFSA-N 425.489 1.459 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917772446 ZILZUPWCFSOPOV-UHFFFAOYSA-N 447.564 1.941 30 10 IDEE CCOC(=O)C1=C(c2ccc(O)c(OC)c2)[C@H](C#N)C(=N)N[C@@H]1[C@@H](C#N)C(=O)OCC 1088645854 CMABWIVVRALHQJ-VEVIJQCQSA-N 426.429 1.509 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)c2C#N)C1 1131603622 BFADNXPMKXBSGQ-UHFFFAOYSA-N 443.510 1.828 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OCC 1132192531 JMBDDYQXNXWQOP-KRWDZBQOSA-N 428.938 1.721 30 10 IDEE COc1cc(N)c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1S(C)(=O)=O 1135836873 ZNHSZWBNQNBWGG-UHFFFAOYSA-N 442.541 1.901 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1157530610 LOACJTVWGMUVMQ-FQEVSTJZSA-N 429.498 1.385 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 1160060654 ULMDUUJQCFEPQJ-HNNXBMFYSA-N 432.527 1.701 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OCC 1171428558 ANBJQNYHKUIQNL-GFCCVEGCSA-N 439.715 1.901 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@H]3CSCCN3Cc3ccccc3)C2)c(=O)nc1O 1226163447 JFXRAMIJXJHPGO-KRWDZBQOSA-N 440.529 1.004 30 10 IDEE Cn1c(S)nnc1[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1227632818 QHUXEMCMCQKXHO-IRXDYDNUSA-N 439.545 1.666 30 10 IDEE C=CCCSCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1278581759 UPVREBLXVZBOQJ-UHFFFAOYSA-N 425.576 1.579 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[C@H]1COCCO1 1286275129 MZAAVZYUKFMEJU-RDJZCZTQSA-N 446.577 1.810 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C)CC1 1286344014 XSSDJRZHHCQGPB-GOSISDBHSA-N 430.578 1.937 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)CC=C)[C@@H]1CCS(=O)(=O)C1 1286387254 OYOXHVWBQFIWHD-GOSISDBHSA-N 448.570 1.173 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1286393686 MEXOFLWOIGKBFG-ZWKOTPCHSA-N 443.573 1.782 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1286397916 RGPUCVBYCDFMBI-OAHLLOKOSA-N 432.575 1.516 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286428686 FENHPNIQADMXSK-SFTDATJTSA-N 440.592 1.925 30 10 IDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286638771 MIDIVZMTQUMPIE-FXAWDEMLSA-N 439.582 1.368 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)=O)CC1 1286783396 QSOYQLAQCRCVCO-UHFFFAOYSA-N 432.912 1.578 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1286787346 SITGRZKAPQONFB-QGZVFWFLSA-N 446.515 1.527 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)nnc1C(C)(C)C 1286793403 DKWYYGIISAGQHF-HNNXBMFYSA-N 438.540 1.031 30 10 IDEE CC(=O)NCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1286953027 VGZWXTOOLAQZPQ-WBVHZDCISA-N 449.556 1.851 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1288724616 BKTQMVPYNSWPRS-OAHLLOKOSA-N 442.549 1.447 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1288981651 GVUNZRCGGVYEER-FQEVSTJZSA-N 444.561 1.334 30 10 IDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)on1 1290964313 DGPNIQUMVKYIGS-UHFFFAOYSA-N 427.490 1.243 30 10 IDEE COC(=O)c1cn([C@@H]2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1296091420 XNFLHYFUBIJAMA-MRXNPFEDSA-N 431.493 1.489 30 10 IDEE CN(C)C(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1297986707 GRPVLWRXIOUOOT-KRWDZBQOSA-N 441.511 1.598 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1CCN(CCN(C)C)CC1 1300553696 PFBAQNMCBXAUQI-UHFFFAOYSA-N 427.597 1.153 30 10 IDEE C=C(Br)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOCC1 1300843512 CLLIJFICTMWXIJ-UHFFFAOYSA-N 441.355 1.983 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1300843694 DTKOFCJTAOCAJO-GJZGRUSLSA-N 439.358 1.296 30 10 IDEE C=CCNC(=O)Cn1c(N2CCc3ccccc3CC2)nnc1[C@]1(OCC)CCOC1 1301520031 TVONMBBYKPWRSE-QHCPKHFHSA-N 425.533 1.838 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301578193 ZLCLZFCBRRZXID-CVEARBPZSA-N 433.534 1.695 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](COCC)C1 1301584452 AIPLJWHBFOFNFA-JKSUJKDBSA-N 425.555 1.083 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301585567 CVMGRMGOQGNSKQ-OALUTQOASA-N 431.562 1.728 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301586878 KAFITLRWACOCIC-IEBWSBKVSA-N 430.578 1.538 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)CCO1 1303001657 GGQMRWYTONRTGR-OAHLLOKOSA-N 436.925 1.547 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 1304904710 MAVKWBKOUORITC-UHFFFAOYSA-N 444.517 1.163 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)C[C@H](C)O1 1306929858 POQROAPMKNZOBZ-STQMWFEESA-N 433.456 1.448 30 10 IDEE C#CCCN(CCOC)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1307956472 UQBUMZZHDZUVHX-ROUUACIJSA-N 437.562 1.395 30 10 IDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1315531742 OSDWNEHLGPBHDL-RTWAWAEBSA-N 428.468 1.786 30 10 IDEE CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)CC#N)CC1 1350181515 WALQWFYDTKAMMD-KRWDZBQOSA-N 449.577 1.338 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1358972100 TXJJFKYFZKNYPO-UHFFFAOYSA-N 437.529 1.050 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ncccc2C)CC1 1359041272 RSGJCRUUIOLZTF-GOSISDBHSA-N 440.548 1.720 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359096776 GRPAIEMVRLCIFJ-ZJSJBZJDSA-N 441.532 1.990 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(=O)NC 1359098238 YUPCYEKCDJXQGX-LIRRHRJNSA-N 430.509 1.559 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCS(=O)(=O)C2)C1 1359311749 HKEQJKGELCDNIE-NVXWUHKLSA-N 439.582 1.413 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359456307 VFULKBVITWJUFX-CABCVRRESA-N 432.550 1.601 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1S(=O)(=O)N(C)C 1360161829 GVFDKJWDWOCCFO-HNNXBMFYSA-N 447.565 1.453 30 10 IDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CN1CCOCC1 1360602753 QMEMONNJGNLEDM-MRXNPFEDSA-N 425.537 1.905 30 10 IDEE Cc1cc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c(C)c1 1361010338 BEWWLHVYZQSJDM-ROUUACIJSA-N 429.546 1.883 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCS1(=O)=O 1456190786 OYCXOCJLLCFVTN-QTHJGGCBSA-N 425.551 1.855 30 10 IDEE CN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)[C@@H]1CCC[C@H]1C#N 1460603775 CTVUVHUTGDQEBU-WMLDXEAASA-N 426.489 1.422 30 10 IDEE C#C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C1CCOCC1 1464125595 QZXLWGZYSYSVLT-AWEZNQCLSA-N 436.349 1.559 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 1464492525 AEGUVTUYAYQEKV-NSHDSACASA-N 428.308 1.156 30 10 IDEE C#CCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1468545781 MENGIBILGAGBBW-UHFFFAOYSA-N 425.860 1.708 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1469871793 GNAKUWFRYNFDAO-HOJAQTOUSA-N 447.488 1.013 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 1471120104 GEFDWKRDHDUZOQ-KRWDZBQOSA-N 432.546 1.882 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC(=O)Nc2ccc(F)cc2)C1 1505316870 BVDXZWLGHZSESR-FQEVSTJZSA-N 429.431 1.620 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1N1CCOCC1 1507538903 PYTFKPXZYUDDHT-HKUYNNGSSA-N 443.573 1.523 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1COC 1507539220 SMEAGVCAOGLPQW-APWZRJJASA-N 447.561 1.264 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1507633399 DIDKFHNVRRXGPA-XMSQKQJNSA-N 446.573 1.975 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507650652 PPXSBVLOOJNFHF-CTNGQTDRSA-N 434.544 1.913 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507652518 JTIMHMOAHWNLID-MRXNPFEDSA-N 447.511 1.501 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507687240 LPOMFYMLUOEDIB-NRFANRHFSA-N 441.513 1.609 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC1 1507722503 YUZADCCFZOZPEX-AQNXPRMDSA-N 448.637 1.751 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)OC)CC1 1507723352 FJJIASFFVQFDQJ-UHFFFAOYSA-N 435.532 1.372 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(C)C)CC1 1507737796 FUXPBYJJGNRNMH-QGZVFWFLSA-N 432.594 1.584 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507807009 BUZLGNHUOJJURT-XQBPLPMBSA-N 433.553 1.580 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOCC2(C)C)C1 1508110046 XJNHWXDZFAUWPQ-SFHVURJKSA-N 432.569 1.406 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CC1 1508420480 BMIKGSKDVYBCQF-NGFNCXNUSA-N 449.606 1.745 30 10 IDEE CC(C)CN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1509426439 FGKISFXXTZHJTE-MRXNPFEDSA-N 432.550 1.471 30 10 IDEE CC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1512637237 BCDJPUNTGNHRRJ-OAQYLSRUSA-N 425.493 1.210 30 10 IDEE CC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514058512 CPYXRPULQKAHGD-MYDZZUQKSA-N 427.509 1.382 30 10 IDEE CN(CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1517298074 FGRDCYPBRVRCGN-LJQANCHMSA-N 429.569 1.784 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1539003405 NWWUKZKXNYIODO-CQSZACIVSA-N 432.488 1.974 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1539124818 IDPGJSHLOHINOX-FUHWJXTLSA-N 437.566 1.030 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539215835 JVQGBIBHTXUJEB-GBESFXJTSA-N 445.545 1.018 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1539216455 SFSFNSFLRZGROH-SFNKJDCFSA-N 446.577 1.509 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1 1539441919 ZNQGPSBOFRKSOF-UHFFFAOYSA-N 429.484 1.481 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)OC)CC1 1539462517 IAGIMXINILBSCZ-KURKYZTESA-N 432.569 1.839 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCOCC2)CC1 1539484483 QNEMHNNARRIDOI-UHFFFAOYSA-N 443.573 1.438 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C(=O)OC)CC2)C1 1540882913 QKYRSWNTPDAQAX-QGZVFWFLSA-N 434.541 1.676 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1541639458 JFUOTWRTKPYZIO-VLGSPTGOSA-N 443.533 1.641 30 10 IDEE Cc1ccccc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1542710277 VXSDPWZNXNHZHP-BLRPHQBRSA-N 449.515 1.447 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cccc(C)c1 1555671018 XHXJCUPYOMPHIJ-MJGOQNOKSA-N 442.520 1.469 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1557106442 VVDDFQQYFXMMMP-RIFZZMRRSA-N 438.546 1.858 30 10 IDEE C#CC[C@H](COC)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1557770503 YYORYGOJVVYKDJ-CYBMUJFWSA-N 436.424 1.198 30 10 IDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1558464264 FLKUHANUWWQRLH-JXFKEZNVSA-N 449.433 1.988 30 10 IDEE C#CC[C@H](NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)OC 1570221294 JXMXBJVZXRUDTP-NRFANRHFSA-N 448.475 1.663 30 10 IDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)Cc3cccc(OCC#N)c3)nn2)C1 1584046907 NSRDHPCPZFOVRN-UHFFFAOYSA-N 426.477 1.831 30 10 IDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1587635679 RHZXGVBUYQMNLB-HUUCEWRRSA-N 426.514 1.888 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)CC2CCN(C)CC2)ccc1F 1587817464 ZRMNVUHTVLHTSM-UHFFFAOYSA-N 427.542 1.720 30 10 IDEE C#CCCCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1587894022 MMWVCFBJWOFSOO-UGKGYDQZSA-N 428.537 1.754 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1=CCc2ccc(OC)cc21 1587909552 NHKZVUPGNSYZLO-HNNXBMFYSA-N 429.546 1.996 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@@H]1CO 1589233131 DNHLJJKDPOJZIO-AUSIDOKSSA-N 428.581 1.630 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1594857819 QUHZCINJJKZLFZ-CYBMUJFWSA-N 428.559 1.377 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCN1CC 1594961863 GIVDFCPSBGZLQQ-IAGOWNOFSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1595602784 RCFOEWFUAWFNPS-QGZVFWFLSA-N 441.536 1.552 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595866214 CLCHHNPNHYHVGM-INIZCTEOSA-N 429.550 1.676 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2CS(C)(=O)=O)s1 1596092562 DVLBDUKTPIHPFF-UHFFFAOYSA-N 442.584 1.616 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1596812823 BVMPUIQSKDJIAG-CQSZACIVSA-N 436.476 1.049 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1611302308 GNHJCGMLUYNSMA-RHSMWYFYSA-N 430.534 1.560 30 10 IDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)CC2CC2)cs1 1612402275 DXEWYWGJMJRWTO-SFHVURJKSA-N 438.554 1.901 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 1624745890 QQLCXYIKTXBHLQ-UHFFFAOYSA-N 444.513 1.177 30 10 IDEE COC[C@]1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CN(C(=O)OC(C)(C)C)CCO1 1624912286 HAHDGMJXWACBRT-QFIPXVFZSA-N 445.520 1.254 30 10 IDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1631627422 CLFDRRUDKOTTGF-GJZGRUSLSA-N 442.394 1.161 30 10 IDEE CS(=O)(=O)CCCCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1634479735 ZCZAAESWSNZMHC-UHFFFAOYSA-N 444.561 1.995 30 10 IDEE C#CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1634813938 GOUDEYYVVVCIFI-XAMWDVODSA-N 441.528 1.655 30 10 IDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1636888531 FZNYOCOWAUXFIB-INCQDFKNSA-N 443.566 1.876 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)s1 1637036031 ZYJVJOZKXJGZPT-LJQANCHMSA-N 435.527 1.101 30 10 IDEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)n[nH]1 1639491583 WTBMLNSUBFEZTL-BDAKNGLRSA-N 430.412 1.518 30 10 IDEE C#CC[C@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1641840078 XRQVYZIZRZSKQG-CVEARBPZSA-N 428.938 1.956 30 10 IDEE C#CCN1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1644947573 GBBGETWJYRDLJD-OAQYLSRUSA-N 431.558 1.646 30 10 IDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)C1CCOCC1 1645988306 YJZPEWLDBSROMD-MRXNPFEDSA-N 438.506 1.238 30 10 IDEE C=CCCc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1653982005 BQTFVRXBGJPGQQ-UHFFFAOYSA-N 429.546 1.612 30 10 IDEE CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cc(C#N)cs1 1656281169 ZRNMVTPQKHWONL-UHFFFAOYSA-N 434.543 1.711 30 10 IDEE C=CC[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1657637846 RJEIYWKJYNGXDA-HOCLYGCPSA-N 427.548 1.582 30 10 IDEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1667344192 XRMLIENBXZWMLN-UHFFFAOYSA-N 432.458 1.385 30 10 IDEE C#C[C@@H]1COCCN1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1672532880 MJMOLSMHXJERLW-CYBMUJFWSA-N 430.324 1.079 30 10 IDEE C=CCN(C(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@H]1CCS(=O)(=O)C1 1675571820 IRDRJYAVUWCGDH-LBPRGKRZSA-N 427.504 1.828 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1675999873 YGHUBVUHYYCPBT-DICRZQGBSA-N 440.566 1.459 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 1679616399 OLRJQGFJVYOFBH-CYBMUJFWSA-N 433.317 1.222 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 1680908918 FCVBKLUTQQUNMW-UHFFFAOYSA-N 429.564 1.226 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689845131 QJIIJLUCVCICOS-KSZLIROESA-N 430.578 1.946 30 10 IDEE C#CCCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OCC)CCOC1 1689906577 OIOWTQAYAHGVTF-QFIPXVFZSA-N 425.537 1.850 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1690046171 ZJUNNMUVCWGCGP-UYAOXDASSA-N 430.512 1.745 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1690102474 LRNLIJZVRDICIQ-MJGOQNOKSA-N 436.516 1.368 30 10 IDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCS(C)(=O)=O 1690481267 ZAECOELRDPLNCO-UHFFFAOYSA-N 440.595 1.685 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1690715743 STLRNQZHMROGTB-QGZVFWFLSA-N 433.582 1.898 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1690720255 CZGVCZXUSOZOAN-KRWDZBQOSA-N 447.561 1.075 30 10 IDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1691579275 CCFDNUYRUWGQFP-LEWJYISDSA-N 435.532 1.902 30 10 IDEE CC(C)N1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOCC2)CC1 1692485670 ARRIPIMSJLGELQ-UHFFFAOYSA-N 440.548 1.801 30 10 IDEE CCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1694471180 ASKHQLDWSQRCAD-INIZCTEOSA-N 425.493 1.861 30 10 IDEE CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(=O)N(C)C)C2)CC1 1695884990 ADFSEHCSYQIBIZ-FQEVSTJZSA-N 436.564 1.121 30 10 IDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1698215403 NKUVLVXNXDTBHV-WOJBJXKFSA-N 438.532 1.975 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1705559046 PFYVHRMAMKNKCW-JYJNAYRXSA-N 425.530 1.181 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705586812 XJMWFSYYHQXLEZ-QGZVFWFLSA-N 426.546 1.202 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCC2CCOCC2)CC1 1705635494 ZYXFRSHKPVSQMJ-HSZRJFAPSA-N 431.581 1.892 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCN2CC)CC1 1705642226 LPIIPZWEDZSYBK-GOSISDBHSA-N 441.605 1.509 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN(CC)C(C)C)CC1 1705644120 HAMMHYJCHKLLSS-UHFFFAOYSA-N 431.585 1.112 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2CCOCC2)CC1 1705649106 KMGURIOLGPRXGR-UHFFFAOYSA-N 425.537 1.461 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705662253 UMHOWPLPPHPOBU-IBGZPJMESA-N 448.637 1.529 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705694468 RGIGJYKUCJOGNS-BBWFWOEESA-N 439.582 1.411 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)COC(=O)N2 1705739908 VUGLATKQZYXKAZ-UHFFFAOYSA-N 429.525 1.811 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1705875655 BGQRRZKKLVQHRG-INIZCTEOSA-N 442.607 1.716 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)C1 1705904590 SUXDYLFRJUEHSA-CVEARBPZSA-N 434.541 1.735 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1705909505 ZJPVNKSSMWUXQV-QZTJIDSGSA-N 428.541 1.557 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1705932589 WARJMGXTDCOEAH-UHFFFAOYSA-N 444.565 1.829 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1711317640 DGVKICBNNJWGSX-LEWJYISDSA-N 426.546 1.647 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN(C)C(=O)OC(C)(C)C 1722371163 SXHVFUUXDUNCJT-UHFFFAOYSA-N 428.537 1.844 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1722382633 IZJOMQBBDKPZHU-RBUKOAKNSA-N 441.557 1.683 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1722387937 RYENEJQAIDULAZ-UHFFFAOYSA-N 444.337 1.636 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N(C)C 1722432977 WDQMCIHUUSZKDI-UHFFFAOYSA-N 428.518 1.951 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722459042 AZYLVLLULXBUBB-IBGZPJMESA-N 443.621 1.946 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC(=O)N1CCOCC1 1722505987 BRSLRIIZRDMZOW-DENIHFKCSA-N 440.548 1.540 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@H]2OC)CC1 1722574901 SPXCJSKHWCNSNL-USXIJHARSA-N 427.571 1.342 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncn(-c3ccccc3)n2)C1 1722709519 RSCBVHOIZQKFCQ-GOSISDBHSA-N 436.520 1.827 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCOc1ncccc1F 1722862954 FZVISWHKYIIDKC-STQMWFEESA-N 425.490 1.097 30 10 IDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC(F)(F)F 1723185387 HUIARRWSWLDHLH-UHFFFAOYSA-N 436.442 1.673 30 10 IDEE Cc1cccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1724507857 HUXRNGNGRSGIHW-DRJQNRDASA-N 437.504 1.382 30 10 IDEE CC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1726508292 CBTGZQSIGQOGDL-CRGXEJQPSA-N 441.536 1.771 30 10 IDEE COCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1730704464 YOBBXPLBTYBEFT-HZPDHXFCSA-N 436.513 1.352 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCS(C)(=O)=O 1740570895 UKFNNDZCGLFDHJ-UHFFFAOYSA-N 428.522 1.205 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nnn(C)n1 1740650562 FMDKZSLACXPQNY-UHFFFAOYSA-N 434.504 1.776 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1740868379 JVVNVARFRYKQGA-KRWDZBQOSA-N 440.614 1.403 30 10 IDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCc1ccco1 1740899351 LSBCWTUPKSJNKL-UHFFFAOYSA-N 436.520 1.984 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1740953369 CYXIXWCCSZLFTP-UHFFFAOYSA-N 442.520 1.369 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CCC)C2)C1 1740982644 VOHISSMRGRJQKW-IPMKNSEASA-N 437.610 1.693 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1747705092 XGBWSELPZKMEBE-SFHVURJKSA-N 433.472 1.647 30 10 IDEE Cn1cc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1748010032 NFSONGOLSXSKRO-NIGUIEARSA-N 446.462 1.687 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CCCO 1748784142 CMXVQRDVPSYCRI-KRWDZBQOSA-N 445.593 1.154 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748811750 KQNGLGVQFPXUIL-KRWDZBQOSA-N 445.936 1.517 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1748818405 ZMFJIRHRPZOTJK-CVEARBPZSA-N 436.484 1.735 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1748863917 KQKPNOHAYILZKI-RTBURBONSA-N 434.610 1.616 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC=C)CC1 1748971282 KJKBXGQXDBFXSG-UHFFFAOYSA-N 435.532 1.205 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Cl)ccc2OC)CC1 1748994702 NUVBNQWISGXABY-UHFFFAOYSA-N 442.951 1.866 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCN/C(O)=C1\N=CC=CC1=O 1749055273 GHKNPDPGWCZELF-XBEJARPLSA-N 442.520 1.521 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1 1749056843 VQNUPDZUWXPLEA-HSZRJFAPSA-N 439.516 1.813 30 10 IDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749109082 BXMFTSJZAXBNKX-GOSISDBHSA-N 434.342 1.907 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](OCC(C)C)C1 1749651440 VMQXETLNEJEDSY-MRXNPFEDSA-N 427.509 1.479 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)CN(C)C 1750150361 BDFPLXQQSOMMMZ-SXLOBPIMSA-N 445.612 1.766 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1752425835 HQZNEDJNXFPTSV-IRXDYDNUSA-N 446.577 1.808 30 10 IDEE 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COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1771222931 OIWPPSRZXKKVEO-DSXRYIJDSA-N 447.561 1.658 30 10 IDEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771480321 MICPPRUSQIJBEV-CABCVRRESA-N 441.565 1.359 30 10 IDEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1849720051 AIVUGYRKBHVDJS-GOSISDBHSA-N 432.546 1.775 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CCN1S(C)(=O)=O 1853066110 IIXBKNBXGTVBSQ-LBPRGKRZSA-N 441.435 1.869 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)[C@H](C)C2=O)CC1=O 1854609464 BNBUMIQNLIIWRP-KGLIPLIRSA-N 439.921 1.123 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)c(C(=O)OCC)c1C 1860761117 MPEHOZGFWFZNNF-JOCQHMNTSA-N 438.502 1.934 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873561766 XXLKBBWSQUKQOG-UHFFFAOYSA-N 444.536 1.021 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC)CC2)CC1 1891074664 ZCTFMHFBGFFBBO-UHFFFAOYSA-N 444.532 1.866 30 10 IDEE C[C@@H](C#CC(=O)NCc1c(I)cnn1C)NC(=O)OC(C)(C)C 1902013797 KGUIPQIWOAYZAQ-JTQLQIEISA-N 432.262 1.558 30 10 IDEE C#CCn1ncc(NCC2(CO)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2137060783 AVTPOUJXFWDJCU-UHFFFAOYSA-N 427.299 1.280 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248416021 KNLLVTGYFKQLQQ-NWDGAFQWSA-N 436.343 1.667 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1 2255610417 YVWJWQNTQXSWJC-CYBMUJFWSA-N 435.334 1.101 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 2255651319 IFRASFXPHSAYFY-OAHLLOKOSA-N 432.330 1.809 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C(=O)OC(C)(C)C 2255694084 LMBFSLZHTIVNBL-STQMWFEESA-N 435.334 1.242 30 10 IDEE Cc1c(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255816452 FLCFXPGBYHSXRZ-CQSZACIVSA-N 434.346 1.767 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2255830977 OEAGHTDZUDOGCK-UHFFFAOYSA-N 434.346 1.799 30 10 IDEE CCn1cc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)nc1B1OC(C)(C)C(C)(C)O1 2267178638 FNPSDJRMGBINGH-GOSISDBHSA-N 444.263 1.485 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)C[C@@H](NC(=O)OC(C)(C)C)C1 2267269105 CAZURCRVUBVIGE-CVEARBPZSA-N 449.357 1.424 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C 2267270893 OLQXOYFJMKXCSK-CQSZACIVSA-N 449.361 1.634 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267487722 QDBDLVWCVYQMAK-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE Cc1c(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267504283 QIPIERNTFWWJCP-MIFYACCESA-N 446.357 1.623 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@H]2CC[C@H]21 2267591917 ABERMLCCUDPPAS-JKSUJKDBSA-N 444.341 2.000 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268652543 HMCNVDZRSVHDGE-GOSISDBHSA-N 446.353 1.756 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2269707023 HWDGYKRKUOZJSA-JKSUJKDBSA-N 447.341 1.711 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1n[nH]cc1CNC(=O)OC(C)(C)C 2352400702 KXDXHUXVYUCBFR-UHFFFAOYSA-N 446.317 1.719 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2367826496 YYZRJOLORQMXON-LJQANCHMSA-N 434.558 1.709 30 10 IDEE COC(=O)CN1C(N)=C(C(=O)OC)[C@@]2(C(=O)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 20568326 BRODFPXRBFPEOU-HSZRJFAPSA-N 440.452 1.461 30 10 IDEE CCOC(=O)c1c(C)oc(NC(=O)Cn2c(N)nnc2SCC#N)c1C(=O)OCC 40173566 BHYXDINIDZGCRS-UHFFFAOYSA-N 436.450 1.370 30 10 IDEE Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)c1 59914370 SIPCBWKQXPOQJP-UFFVCSGVSA-N 443.537 1.283 30 10 IDEE CN1C(=O)N(C)[C@@]2(O)c3ccccc3/C(=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@]12O 104650782 FBLGRDBPYWFAER-IWFDFZEASA-N 428.361 1.164 30 10 IDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2 254800835 LXMDAINMXWRSPQ-WFASDCNBSA-N 440.499 1.267 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 478754049 NMUMTFFPFNXLLA-HIFRSBDPSA-N 431.539 1.044 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 481006307 XUGGKGRYWRXCSL-HIFRSBDPSA-N 428.536 1.308 30 10 IDEE COc1cccc(N2C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 481276945 PVJNVMTVWSHILW-GOEBONIOSA-N 442.497 1.155 30 10 IDEE COc1ccc(-n2cc(CNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)nn2)cc1 482842604 JNBZYUQYCOUHEW-CQSZACIVSA-N 440.485 1.131 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505019209 RRTOPGGCFIDYLV-UHFFFAOYSA-N 436.534 1.816 30 10 IDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 513095850 MASAHSBEFFHWSL-HNNXBMFYSA-N 426.452 1.986 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCOC1 533545015 HYZRMTOOTHSCDX-OAHLLOKOSA-N 439.493 1.727 30 10 IDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)n2)c(Cl)c1 541145170 FNXBZQHSRPNNTP-MRXNPFEDSA-N 427.770 1.862 30 10 IDEE COc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)c1 552006582 HILBFNQKAUIWTM-UHFFFAOYSA-N 434.521 1.822 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585227262 WGUZNTDWTJZXSF-UHFFFAOYSA-N 428.518 1.245 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1=O 589703817 GBCYWNJKFVNIDQ-QGZVFWFLSA-N 444.875 1.591 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCc3nn(CC)c(=O)cc3C2)c(C#N)cn1CCOC 614215256 HTOOVGRHVSDXHE-UHFFFAOYSA-N 442.476 1.350 30 10 IDEE CC#CC[C@@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br 717763477 XHUSNQJFPBPPFL-VIFPVBQESA-N 426.130 1.846 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC)c(F)c1 727417330 ILAZCTBIDDCAIA-UHFFFAOYSA-N 425.441 1.445 30 10 IDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727418724 WMKPPPPSDKVUGM-UHFFFAOYSA-N 430.489 1.926 30 10 IDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 729330646 CFGQWSJBTWRGRM-SFHVURJKSA-N 438.571 1.370 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn3ccccc23)c1=O 729670864 NWTQGXLMEDQQHR-UHFFFAOYSA-N 439.541 1.013 30 10 IDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CCN1C1CC1 732707362 YWDMGZKAQOQJFR-QFIPXVFZSA-N 445.523 1.796 30 10 IDEE COCCCn1c(NN=C(C)c2ccc(S(N)(=O)=O)cc2)nc2ccccc2c1=O 744787486 IFIFSYSVKUWSIW-UHFFFAOYSA-N 429.502 1.917 30 10 IDEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C#N 746975971 GMXXIUFKCZAXSB-UHFFFAOYSA-N 443.481 1.715 30 10 IDEE N#Cc1ccc(CC(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 750394362 FVARKBLRCZSINQ-UHFFFAOYSA-N 431.426 1.635 30 10 IDEE CCn1cc(Br)c(=O)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 754429045 OXIZQVJTPUUFQF-UHFFFAOYSA-N 439.291 1.308 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C[C@@H]2CCCS2)C1=O 757369178 CYCWMBAWDJKMNX-SIYQDOFTSA-N 449.646 1.888 30 10 IDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)c1ccc(C#N)cc1OC)CC2 766981528 YCYSKEDYWOOBBN-UHFFFAOYSA-N 445.497 1.447 30 10 IDEE Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n[nH]1 768746173 JUADMUNMXOAPEJ-UBADJDBSSA-N 446.533 1.217 30 10 IDEE C#CCN(C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 774195393 HYIPVQXVNNNMCX-SFHVURJKSA-N 434.558 1.884 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1cnn(C)c1 776322705 DNBOYQQLIKYIDM-GOSISDBHSA-N 439.520 1.944 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)[C@H](C#N)c1nnc2n1CCCCC2 777295647 HESUKUUHNRPDKH-GJZGRUSLSA-N 430.509 1.696 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 780204134 FYSSNCNKKKOYRN-QJOMJCCJSA-N 431.518 1.590 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)Cc2cnn(C)c2)n(-c2cccc(F)c2)c1C 786858051 NQCXAPJDKMAVAY-LJQANCHMSA-N 439.447 1.924 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)n1 788815271 WNKZSNMJBUEVHC-UHFFFAOYSA-N 429.542 1.844 30 10 IDEE Cc1oc(C#N)cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 797885080 IXGTVOPRKRWFEY-GHXNOFRVSA-N 443.481 1.761 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1 799088123 VLIDXJVZJCDDBX-JXFKEZNVSA-N 425.510 1.518 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2Cc2cnn(C)n2)cc1 807934895 ONLPBOJVUCJMLS-SFHVURJKSA-N 443.577 1.713 30 10 IDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC 916933751 SIPRSBWTIOKIGE-WOWRSWPSSA-N 442.472 1.852 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)c1 1125570204 OABXPCXKGYGERK-UHFFFAOYSA-N 440.504 1.567 30 10 IDEE CN(C)S(=O)(=O)C[C@@H](OC(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F 1129395865 QFWQIPVQFPJRAD-SSDOTTSWSA-N 425.294 1.956 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1135005951 NFPSEQXQRGUUOH-UHFFFAOYSA-N 433.490 1.576 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)C1 1136523157 KILFPZAVMYPXTO-RTBURBONSA-N 433.350 1.815 30 10 IDEE CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136731714 FLHJJWJROIXEBU-LRDDRELGSA-N 427.523 1.799 30 10 IDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C#N)cc(N(C)C)c1 1162121381 KHQILZJLXUPIKL-UHFFFAOYSA-N 431.474 1.583 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)n1CCO 1166714357 SPLZVKMTAQZIKQ-UHFFFAOYSA-N 430.770 1.493 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCOc2ccc(Cl)cc2)CC1 1221486997 IXWMDKSAMYWLSM-UHFFFAOYSA-N 428.942 1.294 30 10 IDEE Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1221719035 HALLULRMVVFHHC-AWEZNQCLSA-N 430.896 1.608 30 10 IDEE C#CCC1(O)CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CC1 1223902848 WWZNLOXMGWVRMM-IBGZPJMESA-N 429.517 1.420 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1286296095 MMUMMQKBKSDIRF-HRCADAONSA-N 445.536 1.894 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1286377122 SKVDLZCPIWMQRK-CABCVRRESA-N 425.555 1.410 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1286434917 YTFJVCFQIKFFMY-KRWDZBQOSA-N 438.463 1.447 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2OCCC2(C)C)CC1 1286485074 CBDMLSDXCCHEDR-QGZVFWFLSA-N 430.553 1.197 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCSC2(C)C)CC1 1286490491 MBXQYGRJVXTDBB-DLBZAZTESA-N 444.605 1.727 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1286592693 QWJYMFRSPOTSDG-UZLBHIALSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C(C)C)C1 1286781639 WBRJKNOJBKWHSK-HNNXBMFYSA-N 429.550 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286819547 NRDDQMGUXASNOU-UHFFFAOYSA-N 430.596 1.550 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1288520448 UJSUYNMOVMGMOK-UONOGXRCSA-N 449.537 1.026 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC1CCOCC1 1288804823 HKMPLDPFFLBEMA-HNNXBMFYSA-N 440.570 1.214 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)nc2)s1 1290549570 UVDLQUOYYZPVMW-UHFFFAOYSA-N 449.602 1.218 30 10 IDEE CCS(=O)(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1297789871 AQRCZCVYXRMERZ-CLCXKQKWSA-N 442.561 1.578 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)COCCO1 1300308498 CJUARUFGIGONFR-HOIFWPIMSA-N 449.552 1.850 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1300395707 BWLUUMXMHFJGCV-XOUADPBQSA-N 442.434 1.776 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1300539153 ZPUATFRALATWPN-GOSISDBHSA-N 431.562 1.046 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1300548986 VMKVDJATLDHMLI-UHFFFAOYSA-N 435.528 1.796 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)c2ccccc2)CC1 1300706720 RKEUJRYVVUPJOX-FQEVSTJZSA-N 435.576 1.681 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](C(=O)OC)O[C@H](C)C1 1300803016 NLPMOWKTNQTWMH-ABAIWWIYSA-N 441.278 1.887 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN(CC)S(C)(=O)=O)CC1 1301129842 DFNBEWDEZKLBCU-UHFFFAOYSA-N 438.598 1.475 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301160002 JEUYMIOAMFWWJR-UHFFFAOYSA-N 445.612 1.649 30 10 IDEE COCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1301481180 BKUVOIJJQAFKRX-HNAYVOBHSA-N 425.530 1.829 30 10 IDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301587229 SLJBXCBZWPUATD-KRWDZBQOSA-N 447.561 1.167 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCOCC2)CCOC1 1303503297 CDWWGPUYRRJLLI-XMSQKQJNSA-N 448.568 1.158 30 10 IDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315911427 MRKHMXCIRXVQND-WXVFVKJXSA-N 447.499 1.816 30 10 IDEE CN(CCC#N)C(=O)CCS(=O)(=O)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 1321017305 JLZYRQIFQGMMCY-UHFFFAOYSA-N 439.515 1.422 30 10 IDEE C[C@]1(c2cccc(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)NC(=O)NC1=O 1322307865 IQGLUMMTOUWMRW-JOCHJYFZSA-N 433.472 1.040 30 10 IDEE COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)nn1 1350885095 QXUJTZHIAXWDTF-PYCFMQQDSA-N 434.522 1.770 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CCOC 1358889667 FKOIKHVBJUXYJE-VGSWGCGISA-N 427.553 1.698 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1358889744 FYXAUVVRSAQOTB-CRAIPNDOSA-N 429.546 1.870 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358967522 MAVLOYAIPPIUMD-ZDUSSCGKSA-N 428.465 1.081 30 10 IDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1358967772 RRAAPTRLLUYYSP-BZSNNMDCSA-N 436.578 1.819 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1358984838 IHORKEJZEVCMOJ-DLBZAZTESA-N 432.550 1.247 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H](OC)C(F)(F)F)CC1 1359028416 RIXLDVBQHHILLQ-MRXNPFEDSA-N 444.502 1.919 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359072584 JOCJJADBMZRYOF-YADHBBJMSA-N 428.558 1.605 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1359149440 ADYNQAGMVPSJAI-KBPBESRZSA-N 427.900 1.358 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359216238 RTYDLDLRVOAWKF-AWEZNQCLSA-N 428.518 1.681 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359232562 XXIZBKJTPSRGPN-VQIMIIECSA-N 427.571 1.365 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359302806 UYQXXLSGCXXEIO-UHFFFAOYSA-N 437.548 1.547 30 10 IDEE CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 1359364800 DFEQVDIFYLDUGZ-INIZCTEOSA-N 435.532 1.742 30 10 IDEE COc1ccc(-c2noc(CN3CCN(S(=O)(=O)CC4(CC#N)CC4)CC3)n2)cc1 1462774198 BNKRQYZXTSNQSM-UHFFFAOYSA-N 431.518 1.886 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 1466735827 DWIOKTZZHXLZNG-BPQIPLTHSA-N 448.545 1.715 30 10 IDEE C#CC[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1469366879 GJKUUJOKRWUFLT-FQEVSTJZSA-N 445.585 1.870 30 10 IDEE N#Cc1ccccc1NC1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1470610956 QNTLTLLQGLKXPL-QFIPXVFZSA-N 439.560 1.674 30 10 IDEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CCOCC1 1470867202 RMENDKQFHPHDIS-FQEVSTJZSA-N 435.546 1.530 30 10 IDEE CCC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC 1500112130 GWGKLMWNXRBXCL-UXHICEINSA-N 426.521 1.973 30 10 IDEE CCN(Cc1cnn(C)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1502046851 AFYPBTFUXXHVII-CYBMUJFWSA-N 432.510 1.161 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1502714687 PFEZUIQBKZCNHI-VFNWGFHPSA-N 428.493 1.500 30 10 IDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CC1 1505320250 HMTBTTHHUHDZQH-QZTJIDSGSA-N 437.566 1.363 30 10 IDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1507556945 GEDLNLSNCRRINU-UHFFFAOYSA-N 426.477 1.952 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507632042 INNLIOQRXWBOIT-CHWSQXEVSA-N 433.456 1.198 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507651114 CFBATHKTTWRDRO-GOSISDBHSA-N 432.450 1.600 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(CC)CC)nc2)CC1 1507716226 OQLDVTLASBHVSG-UHFFFAOYSA-N 438.580 1.461 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCc2c[nH]nc2C)CC1 1507737042 YNZVAWDVAXUKNM-UHFFFAOYSA-N 434.548 1.914 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1507753685 QASMJJZQALTJTR-UHFFFAOYSA-N 437.529 1.302 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1507844079 BRXPXLHOOARJQT-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)n(C)c2=O)CC1 1507896453 JTAWMYYXHLIUCT-HNNXBMFYSA-N 434.566 1.346 30 10 IDEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507933260 IVWDAJMFZUYSHK-UHFFFAOYSA-N 449.563 1.869 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1C 1508094540 YONVAFYCAZLOSK-IBGZPJMESA-N 437.504 1.771 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCOCC2)C1 1508113211 FXRGIEAAYQFJBK-AVRDEDQJSA-N 436.553 1.642 30 10 IDEE 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CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1610016609 FRFHCBAOFJMRBG-SFHVURJKSA-N 439.520 1.390 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[S@](=O)C(C)(C)C 1618346868 CNJFHZWQNZTOQD-NDEPHWFRSA-N 437.591 1.845 30 10 IDEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1619479616 BHQWVPDASJQPSM-HKLFFYFNSA-N 428.534 1.535 30 10 IDEE N#Cc1c(N)sc2c1CCN(CC(=O)NCc1ccc(C(=O)N3CCOCC3)cc1)C2 1620642218 LRXGRGDOPPSCHD-UHFFFAOYSA-N 439.541 1.349 30 10 IDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1620656773 XVYNYHYCACLVQU-KMFGOTIKSA-N 440.566 1.313 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2C[C@H]3CCCCN3C2=O)cc1 1622886715 QMSLJPSDQNUGRH-QGZVFWFLSA-N 435.550 1.905 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1624409981 PTAQLKOBXBISII-UHFFFAOYSA-N 441.509 1.169 30 10 IDEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Br)cc1 1629571905 WVVOAKDXQWDNHZ-CVEARBPZSA-N 447.264 1.943 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCN1CCN(c2ncccn2)CC1 1633465708 IUIAXKBONKHJLT-QGZVFWFLSA-N 431.541 1.302 30 10 IDEE CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc2C1 1633549867 CFFFFMSCLABLHT-UHFFFAOYSA-N 425.445 1.501 30 10 IDEE N#C[C@@]1(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCc2ccccc2C1 1634340147 QHKXJBQNTUIHJN-UYAOXDASSA-N 433.917 1.547 30 10 IDEE CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1635665846 KJDDNUBUCKNRNW-IRXDYDNUSA-N 446.614 1.991 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Sc2ccc(Br)cc2)CC1 1636475706 UCNJOFMOSQPZEX-ZDUSSCGKSA-N 446.392 1.542 30 10 IDEE C#CC[C@H](COC)NC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1637389281 FJKBTTDKHXLZJJ-QGZVFWFLSA-N 446.552 1.956 30 10 IDEE CCOC(=O)C1([S@](C)=O)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1643123160 ABOXVKWVFHGHIV-HKBQPEDESA-N 443.529 1.459 30 10 IDEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OC 1645503502 PCCFMGIFDPRGEH-QGZVFWFLSA-N 444.937 1.989 30 10 IDEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CCOCC1 1645986908 OLKURSCBRIDKHL-BDXSIMOUSA-N 440.562 1.201 30 10 IDEE CS(=O)(=O)c1ccc(CNC(=O)CNC2(c3cccc(C#N)c3)CCOCC2)cc1 1654270327 KWKQMRNTAMSLBS-UHFFFAOYSA-N 427.526 1.873 30 10 IDEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3OCCC[C@H]3NC(=O)OC(C)(C)C)CC2)CC1 1654645885 JPRMKEPERKUHIL-IRLDBZIGSA-N 448.608 1.548 30 10 IDEE N#C[C@]12CN(CC(=O)NCCOc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1660452677 LAFFVXLFWNSYAQ-WMLDXEAASA-N 431.436 1.071 30 10 IDEE C#CCN(C(=O)Nc1[nH]nnc1C(=O)NC)[C@H]1CCOc2ccc(Br)cc21 1664469297 KTUSGTRKRMYFQL-LBPRGKRZSA-N 433.266 1.918 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 1665507596 WAKDJXTWNVBHHE-AEFFLSMTSA-N 430.567 1.702 30 10 IDEE Cc1cc(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(C#N)cc1N(C)C 1672555025 COKPNGYKWHHEOF-UHFFFAOYSA-N 436.520 1.583 30 10 IDEE C#CC[C@@H](CO)NC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1682279969 AQTZJNJYUCTDMX-GJZGRUSLSA-N 444.351 1.286 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCN(CC)CC1 1689848596 YKDQYHACOOYREL-MSOLQXFVSA-N 441.580 1.737 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCC(=O)N(C)C)CC1 1690133630 NZLWCSKURHZLPP-UHFFFAOYSA-N 440.548 1.489 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1690170205 BRAOJLLGIRXVLI-HZPDHXFCSA-N 429.550 1.746 30 10 IDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690177401 UOAHYUWBIRQJDY-INIZCTEOSA-N 449.527 1.855 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1690661205 WTNAACBEPKLUFM-HZPDHXFCSA-N 444.511 1.951 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690671544 YNCATTLFWCTSFT-OALUTQOASA-N 442.568 1.947 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1697989201 ZISRRQVQVAKYLE-HSZRJFAPSA-N 437.548 1.644 30 10 IDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1698217554 RWPROMJERAZURA-VQTJNVASSA-N 438.532 1.927 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1698251413 UKZGQPJUJORWKM-FCEWJHQRSA-N 428.493 1.620 30 10 IDEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1705529812 FCDIWJWXLKLJBK-UHFFFAOYSA-N 426.546 1.932 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705549946 NWNCOMHGEMEOKX-MJGOQNOKSA-N 428.562 1.922 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705571075 WMPXUPKJEDJMQC-YSIASYRMSA-N 443.573 1.563 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(CCOC)c2)CC1 1705636179 AGYBESPFJVQSAX-UHFFFAOYSA-N 440.939 1.640 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)C2CC2)CC1 1705636227 CAWGDJFMAHLWSJ-HSZRJFAPSA-N 425.533 1.879 30 10 IDEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1705752814 IBDXIGSGQCCRHS-UHFFFAOYSA-N 449.924 1.428 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1705869376 SRLGVBXXPUGLQJ-UHFFFAOYSA-N 427.900 1.612 30 10 IDEE C=CCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705893715 PMJYRPOLDWLUGT-JOCHJYFZSA-N 440.552 1.745 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2ncccc2F)CC1 1705902610 IIMGQTMBBTWERP-INIZCTEOSA-N 429.500 1.335 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CCC(N)=O)CC1 1705904776 YGWNBNPVDGFFMR-UHFFFAOYSA-N 446.502 1.931 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705904986 FDSHOKPOKGTFIF-XLIONFOSSA-N 442.539 1.467 30 10 IDEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1706061009 HRVPQKQGMJHNPT-OAQYLSRUSA-N 437.548 1.502 30 10 IDEE CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C 1706360126 AARYPTMQDJERBW-QKLQHJQFSA-N 439.630 1.995 30 10 IDEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCNS(C)(=O)=O)s1 1707850073 HGMWTZLHOZIHEO-UHFFFAOYSA-N 432.535 1.010 30 10 IDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1710983666 FGKPQCWAWYZICI-JOCHJYFZSA-N 440.504 1.203 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1722284509 YLBMBOFXACOPQE-MRXNPFEDSA-N 433.520 1.637 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1722397141 NMTWKSPJHKCPGC-QGZVFWFLSA-N 431.587 1.959 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCC(=O)NC 1722693940 GDVKZQQZMLZUKB-UHFFFAOYSA-N 435.326 1.582 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722695235 XNHUMAPKRZMEFN-HDICACEKSA-N 429.477 1.216 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@H](C)C1 1722727005 DNYXZMRHFSVXDQ-HRCADAONSA-N 430.596 1.263 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(CO)c1 1729069134 DOBGLVRVCSIUBC-QGZVFWFLSA-N 448.531 1.732 30 10 IDEE CS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1731020539 UOKAFKUVHKTZNF-UHFFFAOYSA-N 444.565 1.078 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)c1 1731181111 NUSOIOYWZDPEMF-RTWAWAEBSA-N 435.532 1.782 30 10 IDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)F)CC1 1731184571 DYIQPLKRQGTHQH-QGZVFWFLSA-N 445.474 1.709 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(N)=O)c1 1740641858 HFWDIYHXXDMDFK-UHFFFAOYSA-N 437.507 1.931 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1740655514 HMPGGWPBGBDAFQ-JOCHJYFZSA-N 426.609 1.909 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1740701249 ZMRAIEBENRQYOA-SSTJLMRISA-N 431.581 1.961 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1740973013 QADPEJJOBJYCAE-OFNKIYASSA-N 447.580 1.970 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1740987531 VXLTUTGREYCQLD-QAPCUYQASA-N 449.508 1.887 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)cc(OC)c1 1740990512 BQFRXVMYCJGXRW-QGZVFWFLSA-N 449.533 1.615 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1741002107 GAZYARHSLUOTCO-JKSUJKDBSA-N 445.611 1.145 30 10 IDEE CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1741149726 ZSYJFOQMIXVPCY-WMLDXEAASA-N 439.520 1.873 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1741984100 HGHUZZDXXBTLPN-PMACEKPBSA-N 433.509 1.764 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1743886758 DJBFPZMFSMMYJB-YJBOKZPZSA-N 444.561 1.745 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1748717894 LEKIKDVNUXWUNK-QGZVFWFLSA-N 436.538 1.347 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748815782 UBFTXBVZOLNVFK-LJQANCHMSA-N 442.589 1.761 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1748863768 GPKLFJWUGLMJDL-ZXNZYJFHSA-N 437.569 1.937 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1749268605 DEMYEZPXAZIMTE-CABCVRRESA-N 433.962 1.225 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1749375189 DBUVOGSPELNBCF-KRWDZBQOSA-N 442.495 1.820 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749461164 OAZMGQNPOZWCJW-CVEARBPZSA-N 444.561 1.577 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC2CCOCC2)CC1 1749663933 UHPPJMQSZBCDMX-UHFFFAOYSA-N 427.553 1.134 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C 1749724858 OBIZSKFOGNMDCU-OAHLLOKOSA-N 438.575 1.938 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1750907717 AQYMYCUMEWXUEP-UHFFFAOYSA-N 447.499 1.631 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)n1 1760112173 BQVVHAQMOQPCMZ-KRWDZBQOSA-N 434.552 1.671 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760185102 PQDBJLFTYWOZQD-SCTDSRPQSA-N 429.546 1.782 30 10 IDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1760252685 IQPVVZDFMORINC-INIZCTEOSA-N 444.561 1.270 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C)CC1 1760256241 SSZQYUOTSQJGOE-QGZVFWFLSA-N 430.578 1.054 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2C[C@H](C)OC)CC1 1760259329 ADCPXIBAWWZMER-KRWDZBQOSA-N 435.532 1.465 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760285318 BVQKZENWTJFSHR-DLBZAZTESA-N 441.557 1.947 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760516325 LGWFMLJDPCNZOV-XLIONFOSSA-N 439.564 1.442 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](COC)C1 1760516936 YNFIQWBIWPZIPV-CVEARBPZSA-N 433.484 1.711 30 10 IDEE CCc1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764772174 ACPDKDVRHRDOAJ-PMJQPMTFSA-N 430.509 1.141 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768810558 BHTAQMLKUXVQQQ-UAFUQJIBSA-N 437.504 1.263 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1770904746 PITMPLDYQVLBQO-SFHVURJKSA-N 447.561 1.741 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1771348184 RXJCVTTVJDCLOW-HNNXBMFYSA-N 425.461 1.722 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCOCCCO)CCN1C1CC1 1771537039 GOIRCSIVTQQRBN-LJQANCHMSA-N 428.512 1.584 30 10 IDEE CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1772860257 XKVFASNMPJMQFP-WMLDXEAASA-N 436.538 1.749 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)CC(=O)Nc2ccc(F)cc2F)CC1 1851971365 PTNNQAMLNULUAS-UHFFFAOYSA-N 429.427 1.925 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)C2CN(c3ncc(F)cn3)C2)cc1 1852767817 CDKQQCCFVQGBHN-FQEVSTJZSA-N 441.463 1.247 30 10 IDEE COc1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 1853586443 TTYDRSLDYGINTM-UHFFFAOYSA-N 428.464 1.846 30 10 IDEE Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855723671 OVSSLSJUDFNAML-INIZCTEOSA-N 427.482 1.694 30 10 IDEE COc1cccc(O[C@@H](C)C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890228759 ATJVARWLAWDKDZ-FQEVSTJZSA-N 429.561 1.721 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891275495 XUDVZSUKCFMWME-HNNXBMFYSA-N 430.486 1.540 30 10 IDEE N#Cc1cc(I)c(I)c([C@H](O)C(=O)O)c1 2060283897 RXQLXZIHBHSTPW-QMMMGPOBSA-N 428.951 1.885 30 10 IDEE Cc1csc(CN(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1C#CCN 2100763086 NAGBYHAIMFRQNJ-UHFFFAOYSA-N 431.539 1.425 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248397550 MGAGITXYMLACRE-ZDUSSCGKSA-N 435.355 1.975 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248441738 HHVCFBODILQETJ-GFCCVEGCSA-N 441.359 1.334 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2255656222 XYNSUSYMPKDKCH-AWEZNQCLSA-N 436.314 1.633 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255658325 BOIHWYJLIYEOHM-KGLIPLIRSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N1CC(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)(C(N)=O)C1 2255797807 LWATZESTDRSFJF-UHFFFAOYSA-N 437.346 1.842 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2255873378 KPVSFNTWMQLIEM-OAHLLOKOSA-N 434.342 1.910 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256924198 SNNPHOMGUJBKSB-MRXNPFEDSA-N 445.350 1.757 30 10 IDEE Cn1ncc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)c1NC(=O)OC(C)(C)C 2267135437 CNIUUDHWICAFJZ-UHFFFAOYSA-N 446.317 1.719 30 10 IDEE C[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2267502212 KLGCQQWUKLLDJA-NEPJUHHUSA-N 444.263 1.391 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 2267503246 ALZIYHIETFYCOY-GFCCVEGCSA-N 444.263 1.250 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267543101 BKZGSOIWHCQILC-KGLIPLIRSA-N 449.361 1.490 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC(CO)C1 2268702692 XBVUNWZUKJOMEL-UHFFFAOYSA-N 447.341 1.985 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 2268719424 DMHDFHYHVJNFRZ-SFHVURJKSA-N 448.369 1.920 30 10 IDEE Cn1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)CC2)nc1B1OC(C)(C)C(C)(C)O1 2270592922 UVRRJEYYLZUAFV-GFCCVEGCSA-N 444.263 1.393 30 10 IDEE C=CC[C@@]1(CO)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2287685036 BXUSBJDBPCYFNX-YLJYHZDGSA-N 440.518 1.045 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 2315534519 POBWDHJICLOGEW-OKILXGFUSA-N 432.330 1.553 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1C 2337189967 IFEPQAWUDMSUNF-RRFJBIMHSA-N 446.357 1.765 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 22846680 RDEVQYGESBKXNA-UHFFFAOYSA-N 426.565 1.950 30 10 IDEE Cc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1 59887688 VJQRRPYMFPKOSR-SSDVNMTOSA-N 442.549 1.773 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccccc3OC)o2)c1=O 101350999 JRAWEFBGJIMHJN-UHFFFAOYSA-N 443.485 1.744 30 10 IDEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCN(c4ncccc4C#N)CC3)cc12 460686145 DWMKQXJOKFFCNH-AWEZNQCLSA-N 437.529 1.677 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 465126543 FKVBBBWBISSQHR-OAHLLOKOSA-N 448.508 1.747 30 10 IDEE C[C@@H](C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)n1cnc(C#N)n1 466988233 IOCMCCFJXJAJIX-ZDUSSCGKSA-N 426.868 1.759 30 10 IDEE COC(=O)c1cncc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 499542049 GLJYNIMTFJJPEK-UHFFFAOYSA-N 428.470 1.779 30 10 IDEE CCOC(=O)C1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCOCC1 505406153 WYFKECSJGHLALO-UHFFFAOYSA-N 443.479 1.874 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(=O)N(C)[C@@H](C)C3)nnc12 506521041 BPTFNXVDTZJNHV-ZDUSSCGKSA-N 426.502 1.011 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 507610199 IKIRMYXILSKSOW-NRFANRHFSA-N 433.530 1.851 30 10 IDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 509010153 FBHHJAJZKWYXJN-HOTGVXAUSA-N 436.538 1.200 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCO[C@]4(CCOC4)C3)n2C[C@H]2CCCO2)cc1 561019647 COLACPGSXDNXLA-DENIHFKCSA-N 425.489 1.903 30 10 IDEE Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 584511878 HJAPOWYRUZGTCF-UHFFFAOYSA-N 432.427 1.463 30 10 IDEE CCc1nc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 608838421 ZJJWULDADSTUDC-UHFFFAOYSA-N 433.559 1.836 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN(C)C(=O)c1ccc(Br)o1 734292818 HICCYMIUKGAPSV-UHFFFAOYSA-N 440.275 1.799 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2c(F)cccc2F)C1 755631454 HANPUORATBMVMJ-CYBMUJFWSA-N 434.468 1.789 30 10 IDEE C#CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758052591 DKXPTTYJYWXCKI-UHFFFAOYSA-N 431.521 1.632 30 10 IDEE N#C[C@@H]1CN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1C1CC1 766550398 NBJZYKLTMGZSLE-CQSZACIVSA-N 446.451 1.741 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C[C@@H]3CCCO3)c2=O)cn1 772276410 CYICPSIRCJKCIR-SFHVURJKSA-N 447.520 1.528 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCOc2ccc(C#N)cc2)[C@H](C)O)cc1C 777303378 VXWVRAITANLNFI-JXFKEZNVSA-N 432.498 1.825 30 10 IDEE C#CCN(C(=O)CCOc1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 783359849 ZRJSMYIYSDIUBJ-AWEZNQCLSA-N 447.294 1.709 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CCC2)[C@H](F)C1 791257554 HOUWHAGUCIMNIR-MSOLQXFVSA-N 436.553 1.930 30 10 IDEE Cn1ccnc1[C@H](O)C1CCN(CC#CCN2CCC([C@@H](O)c3nccn3C)CC2)CC1 792871527 LWYBKRFAMVRAOC-FGZHOGPDSA-N 440.592 1.348 30 10 IDEE C[C@H](C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)n1cnc(C#N)n1 801086354 KCPHQSISOLXWQG-CHWSQXEVSA-N 445.446 1.311 30 10 IDEE Cn1cc(C(N)=O)cc1C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809123669 HGPSYRBGQBPUAA-UHFFFAOYSA-N 429.227 1.016 30 10 IDEE C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)/C=C1\N(C)c2ccccc2C1(C)C 809249447 IZFKUSFQWFBKMA-XXNBTCCJSA-N 437.496 1.910 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1cccc(NS(C)(=O)=O)c1 813594005 WQYIWNRQTDVHAA-OAHLLOKOSA-N 428.518 1.918 30 10 IDEE C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 855708465 HIMNOKCMIPGSAV-NSHDSACASA-N 430.486 1.843 30 10 IDEE C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 928713220 HNKJLNMAZKHSIX-CYBMUJFWSA-N 426.408 1.148 30 10 IDEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)c1C 1084513338 BGCRGIINYQAKJI-UHFFFAOYSA-N 426.510 1.563 30 10 IDEE C=CCn1nc(C)c(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)c1C 1084646255 GVCFHHSGUNBXAQ-UHFFFAOYSA-N 432.539 1.625 30 10 IDEE CS(=O)(=O)N1CCC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1136382026 VFOVDPIYPCCOTG-HNNXBMFYSA-N 441.351 1.297 30 10 IDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1141801588 YNRZUPCJMXSZOK-UHFFFAOYSA-N 437.518 1.247 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)CC2)c1C#N 1154387028 OVMRKAMIKHGJKY-VFNWGFHPSA-N 432.525 1.009 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)CC1 1157008832 DBWGWLUYKOSREH-UHFFFAOYSA-N 437.397 1.537 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)cc1 1157415789 BMTIABSREPFNJU-IAGOWNOFSA-N 439.534 1.515 30 10 IDEE N#Cc1cn(CCNC(=O)c2cc(Br)ncc2Br)c(=O)nc1O 1167527182 LPCXANMCDRYGTG-UHFFFAOYSA-N 443.055 1.171 30 10 IDEE CC(C)(NS(C)(=O)=O)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1179605353 OOSYFNZOFFTVGX-BQBZGAKWSA-N 432.333 1.944 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)C2)c(=O)nc1O 1181000325 NIESHWNXEPDORO-OAQYLSRUSA-N 446.463 1.907 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1286298457 JYBHBVPALZMCOV-HJLOMXBNSA-N 431.581 1.900 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286407994 YFWXGXDCKUKUKU-VXKWHMMOSA-N 446.555 1.684 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCOC2)CC1 1286488782 UDPPIRXGWFILTL-FDDCHVKYSA-N 445.564 1.323 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1286493962 JRUBBZIGJHVESG-FPOVZHCZSA-N 436.560 1.781 30 10 IDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286507090 UZCBWKXFDDZVJI-MSOLQXFVSA-N 433.578 1.714 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1286523389 URGWHSTWYZWBAV-XQBPLPMBSA-N 449.621 1.673 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1 1286546729 LKROTCRPVLQUSU-PVAVHDDUSA-N 437.570 1.239 30 10 IDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1286733653 HAHBHIARBQJNKE-YLJYHZDGSA-N 439.582 1.509 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)C1=O 1288133541 DLPJRHHZTDYNEW-LSDHHAIUSA-N 434.493 1.211 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1288311033 BJSPZKHFLZLYIR-VQTJNVASSA-N 440.495 1.830 30 10 IDEE C[C@H](Sc1ncccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)N1CCCC1 1289201864 SCSZVMFXDPEGKP-AVYPCKFXSA-N 448.570 1.195 30 10 IDEE N#Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2n1CCOC2 1289684139 RGHTUDQBYZBMOS-CYBMUJFWSA-N 433.465 1.463 30 10 IDEE CCOCc1nnc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1Cc1ccc(C#N)o1 1297293981 WCHISBNRDVWSJY-MRXNPFEDSA-N 429.525 1.364 30 10 IDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1299909799 CPNDYJFJUPLTDM-AGKSTNPPSA-N 433.896 1.876 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1)c1cc[nH]n1 1300444681 YWDAXYQJLMFWBE-LBPRGKRZSA-N 440.382 1.866 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300504762 RRMSIRDURLXYHK-GOSISDBHSA-N 444.557 1.626 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300509183 HDUYXOVULCZEEV-RTBURBONSA-N 435.532 1.498 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300530113 YXJOTDPUGGICDH-UHFFFAOYSA-N 438.513 1.234 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1300556505 IKKPLGHSHFOVOW-KRWDZBQOSA-N 436.541 1.948 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1300690701 GNLUNYHOBYGJFJ-ZWKOTPCHSA-N 445.951 1.902 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCCCOC)c2)CC1 1300696177 VEKSVFOFIUBPPC-UHFFFAOYSA-N 449.559 1.897 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1300699506 DPPBCNOBMBVYSO-ZWKOTPCHSA-N 432.569 1.841 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 1300706493 OKUJSJQWRZZZEB-QFIPXVFZSA-N 449.603 1.767 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1300848651 HFEGRMIKPZMBBY-ZDUSSCGKSA-N 436.376 1.612 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1300892020 PRKMLNDCXQJPPK-HKUYNNGSSA-N 425.599 1.977 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1301298156 ZLKIBBMGIUWDTD-OFLPRAFFSA-N 427.571 1.438 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1303441888 ZMXXRZRLMOYQRM-HNENSFHCSA-N 431.541 1.354 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1303457212 HFDLAQDXRCAFPF-UHFFFAOYSA-N 439.564 1.626 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1303756541 CKXSCJDBNZPOHS-UHFFFAOYSA-N 426.520 1.224 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1303934232 PYMPTKFDTFGOTJ-HLIPFELVSA-N 436.582 1.726 30 10 IDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1303942524 SUCKTWDBSHMDGZ-DLBZAZTESA-N 436.582 1.726 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2nnc(C)n2C[C@H]1C(=O)N(C)C 1305000754 KOWGGTLOFUAPMO-KGLIPLIRSA-N 440.932 1.421 30 10 IDEE CC[S@@](=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1314567580 URHLSZAHTCUBFV-WJOKGBTCSA-N 436.545 1.702 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC(C)C)CCO1 1315008068 PVZKSHBESBNSAE-LJQANCHMSA-N 426.521 1.973 30 10 IDEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCN(C)C)c1 1315562479 GMMADNXUQVVTJK-HXUWFJFHSA-N 439.564 1.708 30 10 IDEE N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c(F)c1 1352214587 ALGBLNVUARCYMD-AWEZNQCLSA-N 437.474 1.415 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(C)c1 1358968472 MVVHHCLQFWUNDK-UHFFFAOYSA-N 441.495 1.737 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nncn2CC)CC1 1359038224 NVEFFCMWJXTOJE-UHFFFAOYSA-N 434.548 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCc2ccco2)CC1 1359045766 SORBIFKVGFLZIV-UHFFFAOYSA-N 440.548 1.742 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359137319 MJPUYOGGIKNQSF-GNBUJSLZSA-N 433.553 1.842 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1359257249 DRIJKTICGUYPOI-OAHLLOKOSA-N 430.538 1.258 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359492132 BTTVDDUGBYPROP-ZWKOTPCHSA-N 435.532 1.694 30 10 IDEE Cn1c(C#N)ccc1C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1439824463 KDQLLFFLWHZEBY-HNNXBMFYSA-N 434.237 1.815 30 10 IDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1443496323 ZBDUFRSJJSDFIY-ZLHKHBAESA-N 438.521 1.146 30 10 IDEE CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1445034106 GDGAYCMNMCWICO-DNZUHHBVSA-N 444.454 1.942 30 10 IDEE Cc1cc(C#N)cc(N(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C2CC2)n1 1461469102 HOCVSSXXMMXQRF-UHFFFAOYSA-N 426.498 1.933 30 10 IDEE C=CCN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)[C@H](C)COC 1470065333 GPWUCHOZUDKDLE-WCXIOVBPSA-N 430.567 1.706 30 10 IDEE COC(=O)c1ccc(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)c1 1478707910 AEIMGOFXFMLBBD-HNNXBMFYSA-N 438.488 1.606 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccc2OC)CCOC1 1502727696 BVNXWWLRHPKGAV-GCJKJVERSA-N 427.505 1.910 30 10 IDEE Cn1cnnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC#N)CC1 1503671432 DXMJUMDUOOXXDF-UHFFFAOYSA-N 440.533 1.655 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1OC 1504204155 YGZVXLCMBWYWFD-SJORKVTESA-N 429.477 1.497 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1507636120 ZDRPZTXHJUGBFD-VQTJNVASSA-N 442.589 1.232 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2cccc(F)c2)CC1 1507717041 XXQRPFNZIJJHIU-KRWDZBQOSA-N 428.512 1.778 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1507720563 UVOZZVZHBLQOFW-MIZPHKNDSA-N 447.580 1.486 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1507799205 IRNBFGKRADFEIK-HKUYNNGSSA-N 448.593 1.737 30 10 IDEE C=CCCOCCn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507964992 OHFHQHRVNUTZNJ-KRWDZBQOSA-N 427.571 1.064 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCOC[C@H]2C1 1508074289 RQYAICBMGVXLOQ-MRXNPFEDSA-N 448.474 1.370 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 1508076560 VAFOBVSOMSPLDM-CYBMUJFWSA-N 438.579 1.205 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CCS(C)(=O)=O)cc1 1508100869 QFIJPEYONAEKQF-UHFFFAOYSA-N 430.534 1.773 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1508812452 AATKOXSIXJYYTA-UHFFFAOYSA-N 449.519 1.236 30 10 IDEE COCCCOc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1519087936 ALLJUQSUGGIWKM-HXUWFJFHSA-N 437.504 1.871 30 10 IDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1519527930 GJAWBKUANCFKAR-UHFFFAOYSA-N 431.518 1.533 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CC2)nc1 1529706942 FQHQIRZADBQRAS-OAHLLOKOSA-N 445.570 1.640 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)C1=O 1536657293 HUYJPCKSGHVKKZ-OAHLLOKOSA-N 442.472 1.446 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CCO2)cc1 1536667197 RWIWVQKZOVSAIS-NRFANRHFSA-N 441.509 1.793 30 10 IDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539144963 AAXZIMYQHOSZPY-HNNXBMFYSA-N 428.459 1.237 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1539400385 DRAJTTZSLIOOTM-OFNKIYASSA-N 447.580 1.663 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539514326 PNQWPPAKFJYEQH-INIZCTEOSA-N 441.623 1.399 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1539516758 BVUCGASQFLXGIY-UYSNPLJNSA-N 445.586 1.162 30 10 IDEE Cn1nc(C2CCOCC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540647646 DMZOBJAOTBCDTM-UHFFFAOYSA-N 443.529 1.332 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1540865487 IKICVRPGVQIYLK-FQEVSTJZSA-N 446.515 1.913 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540868033 PMFFNHUTPUGUOI-UHFFFAOYSA-N 429.525 1.643 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC)C1 1540882863 PQBWFBNUDARKEO-QGZVFWFLSA-N 446.939 1.779 30 10 IDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCC(=O)N1 1542054151 NWDVCJPRQMBABY-DZGCQCFKSA-N 444.565 1.564 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CC(=O)Nc4ccccc43)CC2)cc1 1543120598 BFNHQYWYCJOMJA-KRWDZBQOSA-N 438.509 1.907 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1544911870 PNDFWHVPWAWOFR-ROUUACIJSA-N 435.569 1.904 30 10 IDEE C[C@H]1CSCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1545133375 KCENNDADAZIXPO-CVTQAYBASA-N 439.545 1.732 30 10 IDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1545342503 QVLSWAXAQOOCQJ-LRDDRELGSA-N 446.472 1.963 30 10 IDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)cn1 1555568835 FKZHHHUUMZZNOH-GOSISDBHSA-N 448.531 1.800 30 10 IDEE CS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1555806684 JTFAHQPVPDZCTQ-MOPGFXCFSA-N 445.545 1.666 30 10 IDEE Cn1[nH]c([C@H]2CCCN2C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc1=N 1556315932 JZWQGLGPWRZMLB-DMTCDCDWSA-N 429.525 1.678 30 10 IDEE C#CCN(C(=O)CNC(=O)c1ccccc1I)C1CCN(C)CC1 1558507669 RUGXONFPLZWMMR-UHFFFAOYSA-N 439.297 1.577 30 10 IDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2)C1 1586254293 LSYQEXPCVGJWKO-AWEZNQCLSA-N 429.502 1.958 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@]4(C)C(=O)NC(=O)[C@@]4(C)C3)C2)C1 1587061402 XWZQQBBXBMMEOX-PAKQIMAXSA-N 430.505 1.284 30 10 IDEE Cc1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1B1OC(C)(C)C(C)(C)O1 1587497974 IOUNPDQMRHIDTH-QMHKHESXSA-N 441.337 1.745 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1587561309 CLVUNKLEJDRSLZ-JKSUJKDBSA-N 427.534 1.580 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1587638077 BGKDBQNRBLBUJW-CRAIPNDOSA-N 433.534 1.126 30 10 IDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1587847617 OXTBFAHRZSQGEJ-HNNXBMFYSA-N 429.502 1.046 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588055140 SJJCGTFFDSUTQY-MANSERQUSA-N 436.578 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1588120104 GKZCVGQVJZTQFL-UHFFFAOYSA-N 436.541 1.655 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1588138214 AGSGKQRNTUAVGK-KRWDZBQOSA-N 447.561 1.120 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C)ccc1OC 1588646248 IHSQUMAITLLAQB-IBGZPJMESA-N 446.573 1.826 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1588732763 FWZBXGXCVGQFFN-XXBNENTESA-N 429.613 1.682 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1594783916 LVUNRYWNDNSOKK-IRXDYDNUSA-N 439.520 1.766 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](CC)C1 1595545052 QIOXHJDSXXMRLO-GOSISDBHSA-N 440.552 1.370 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3OCC)CC2)c1 1595706393 PHGZOQNZUSBBHG-UHFFFAOYSA-N 430.530 1.907 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(c2cnn(C)c2)CC1 1595798552 QGCYHAMWAPUNLD-KRWDZBQOSA-N 434.566 1.500 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1595822988 KOVJMXLVSAMLBO-KRWDZBQOSA-N 447.561 1.386 30 10 IDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C(=O)OC 1596794812 JEALBJXGCMKVEM-CYBMUJFWSA-N 433.324 1.937 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)OCc3cn(C[C@H]4CCOC4)nn3)CC2=O)cc1Cl 1597905299 HHNMLSLQFOJVMQ-UKRRQHHQSA-N 429.864 1.936 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1611302187 DXKHNVLLQNDCSN-CQSZACIVSA-N 429.506 1.888 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1612472283 NHSBZPVSZBATSZ-GCJKJVERSA-N 442.568 1.777 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1616144963 FIJCZOWCZGPZJQ-GOTSBHOMSA-N 438.532 1.917 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)C1=O 1618560604 MADHVQGIKIQSJQ-QVKFZJNVSA-N 432.525 1.865 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CCO1 1618710699 UBAMDTUAIFQFCY-LZQZEXGQSA-N 440.504 1.105 30 10 IDEE C#CC[C@]1(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1620567469 ABJSVQUDAGAEJK-HSZRJFAPSA-N 434.581 1.696 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F 1621673603 VTILRQYGDBSWIB-MZHQLVBMSA-N 444.478 1.400 30 10 IDEE O=C(N[C@H]1CCN(O)C1=O)c1cccnc1N1CCN(Cc2cccc(Cl)c2)CC1 1624906393 IDBRFZHRYYSROI-SFHVURJKSA-N 429.908 1.777 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc1 1626004265 OGMYUYSQIMPGJL-QIIGAIICSA-N 440.522 1.324 30 10 IDEE COCCN(C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCS(=O)(=O)C1 1628597153 OPTFNUBWDVTSFC-KRWDZBQOSA-N 437.367 1.570 30 10 IDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1629726441 KJDLFIMVSCGCTG-ZBFHGGJFSA-N 431.518 1.275 30 10 IDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1630290926 HNIRVBBHKNKMKM-OALUTQOASA-N 434.562 1.041 30 10 IDEE Cc1cc(N2CC[C@@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)n(C)n1 1630388336 GWJUVOVZHGAPFZ-QGZVFWFLSA-N 429.521 1.601 30 10 IDEE C=CCCC[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OC 1634883834 CGFDZOHZBGGCMU-KRWDZBQOSA-N 432.477 1.891 30 10 IDEE CC1(C)COc2cc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc2NC1=O 1636172268 VIHCUBDFWGSLED-UHFFFAOYSA-N 428.470 1.832 30 10 IDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NCc3cccnc3)c(Cl)cc2Cl)C1 1636818237 BQNFVYHKPSHVMW-UHFFFAOYSA-N 440.308 1.687 30 10 IDEE C#CCOCCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 1637864490 HDSANRMXUVEZGB-UHFFFAOYSA-N 428.470 1.791 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CC2 1640630482 YGOQYKXELCSRDV-YOEHRIQHSA-N 448.545 1.741 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(n2nncc2I)CC1 1641462628 BHCODPHYLPIWEX-CYBMUJFWSA-N 431.278 1.517 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1641662710 VGYUNHMTBITYTN-UHFFFAOYSA-N 432.502 1.247 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 1641724669 FEULESZSHGEWKG-KRWDZBQOSA-N 425.533 1.381 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1647932557 GNMLCKBSYLMENK-UHFFFAOYSA-N 426.498 1.752 30 10 IDEE N#C[C@]12CN(C(=O)c3nc4ccc(Br)cn4c3F)C[C@H]1CS(=O)(=O)C2 1653072381 BIEOADYKONNGMX-BJOHPYRUSA-N 427.255 1.246 30 10 IDEE C[C@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1655140938 FKEIGBREVXXTIW-JOCHJYFZSA-N 430.574 1.634 30 10 IDEE C#CC[C@H](COC)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1665154279 NCRYYIBHWROIKP-MRXNPFEDSA-N 425.507 1.266 30 10 IDEE C#C[C@H]1COCCN1C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1682858870 MATZIGTZKDWPKB-SFHVURJKSA-N 436.553 1.668 30 10 IDEE C#CCn1ccc(CN(CC)C(=O)NCCNC(=O)c2ccc(Br)cn2)n1 1683798601 ZPKJSMVHXRJAIS-UHFFFAOYSA-N 433.310 1.635 30 10 IDEE Cc1c(Br)cccc1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1684006082 NLQIOKDXPJMSFL-WMLDXEAASA-N 426.336 1.880 30 10 IDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1cccc(C#N)c1 1687592852 CEWKGBMQGXDVRF-QGZVFWFLSA-N 427.530 1.981 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(CC)cc1)N(C)C 1689946366 PVFBHFCDEOLVNV-VQIMIIECSA-N 432.594 1.823 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)N(C)C 1689976347 GYXZFWABXJCQJR-HNNXBMFYSA-N 440.570 1.311 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689989405 FGASGMLAMUKLDB-MRXNPFEDSA-N 437.566 1.697 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)N(C)C 1690077028 HBCQQJYRHCKHEF-QGZVFWFLSA-N 448.568 1.914 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1690109200 JZXLYDYMSWSWRY-LJQANCHMSA-N 427.597 1.390 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 1690122563 VKTUAQZYSTYSND-OAQYLSRUSA-N 436.560 1.934 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690153866 DXOZROLAAGZYOT-QGZVFWFLSA-N 426.546 1.933 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1690175474 XYCBFVYYFOIZPK-JKSUJKDBSA-N 429.612 1.460 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1690670504 CURGAFQCKPAXBU-PKOBYXMFSA-N 427.505 1.368 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690674285 VOSAYMDQFKPBDS-MRXNPFEDSA-N 426.521 1.041 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1690674884 JAWLRIOWICSCBX-MRXNPFEDSA-N 446.577 1.823 30 10 IDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1697785468 HWOPNCVVZMJJGA-INIZCTEOSA-N 428.468 1.524 30 10 IDEE COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1697786435 VGLFNVBMISDRNK-LJQANCHMSA-N 436.495 1.842 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1705495458 QCRKHEMIDGVWDE-ARFHVFGLSA-N 427.596 1.355 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1705627558 JUESRLXJDQDVHM-HXUWFJFHSA-N 433.516 1.608 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(CS(C)(=O)=O)CC2)CC1 1705640759 DZCFZXQOOCAACF-UHFFFAOYSA-N 441.601 1.757 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCCN2CCCO)CC1 1705640807 GVOANZNGGKOHKN-QHCPKHFHSA-N 436.604 1.779 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)CC(F)(F)F)CC1 1705648443 SWFPWTVZBPUCSZ-INIZCTEOSA-N 442.486 1.242 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1705672715 GMCKLPUOYKYGRK-FDDCHVKYSA-N 438.507 1.719 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1CCNS(C)(=O)=O 1705862664 RMEJOXSHVMIKHE-UHFFFAOYSA-N 433.513 1.560 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705899048 GUYKNARERZMJRW-UHFFFAOYSA-N 439.564 1.202 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2ccc(F)cc2)C1 1705914242 JSDYBWCIYGSVCN-KRWDZBQOSA-N 430.484 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCC2)C1 1705932094 KXIJCZZQEHVVHY-SFHVURJKSA-N 432.594 1.949 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1706061008 HRVPQKQGMJHNPT-NRFANRHFSA-N 437.548 1.502 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H](C)N2CCOCC2)c1 1722307707 VHYHCVQDHFBDPS-GOSISDBHSA-N 440.548 1.592 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 1722316899 NYQASUJWYWCYRL-ZWKOTPCHSA-N 439.582 1.277 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722365741 NUXRRBWUTAZNNK-KNQAVFIVSA-N 443.573 1.706 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N1CCOCC1 1722509797 YKFDKYPLLWCVLN-QFBILLFUSA-N 427.509 1.011 30 10 IDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1722598035 XFPCBLLONVYMIG-UHFFFAOYSA-N 438.575 1.940 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 1722618817 VOVKVPUZGUGTOY-IRXDYDNUSA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722696769 AYKHDYZMRJBTIH-HNNXBMFYSA-N 426.525 1.168 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1722698017 BCGPZVUUHILVGC-INIZCTEOSA-N 441.492 1.319 30 10 IDEE CC(C)(C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1722901851 RIPWWNWNUPAGHA-OAQYLSRUSA-N 425.493 1.903 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(C)CN(C)C1=O 1727013482 UGWCLDAPSVCDTK-WCJKSRRJSA-N 437.552 1.647 30 10 IDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCCO)c2ccccc2c1=O 1729604625 WUOOEDPNMFNLIU-INIZCTEOSA-N 437.504 1.473 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1(C(=O)N(C)C)CCCC1 1730761120 HWTSIXLUQCABIH-UHFFFAOYSA-N 428.541 1.694 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@](C)(O)c1ccco1 1730871670 VPGFHLQKNWZAOG-NRJQMVOHSA-N 444.536 1.679 30 10 IDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1730998179 DVHSXSJEBJARKB-OALUTQOASA-N 445.545 1.636 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F 1740551768 LTABRLUOPCYJOJ-CQSZACIVSA-N 432.479 1.291 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1740590608 IIUMHMREUZAXQE-KSFYIVLOSA-N 446.552 1.702 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1740616872 ICXHQTVMQMZWTR-RXVVDRJESA-N 438.594 1.992 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740623569 WUPKDKOSFKXILA-KRWDZBQOSA-N 433.578 1.608 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1740690400 TXTPVDBJHMEHOK-CVDCTZTESA-N 444.580 1.290 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC)OC)CC1 1740706982 KPTUPGHCTKERNQ-FQEVSTJZSA-N 449.559 1.907 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740925719 DCEOQENKNKBFTH-UHFFFAOYSA-N 446.552 1.986 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740951386 XGNGSIXDFKXHDB-ZHRRBRCNSA-N 448.568 1.273 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2n[nH]c(C)n2)C1 1740983939 SURSWMZGSLXUSM-OAHLLOKOSA-N 442.549 1.720 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCc2c(ccnc2O)C1 1740989168 CKSPZSUNXGZGJL-UHFFFAOYSA-N 426.502 1.604 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1740993334 YBKRTDZXZVVFJL-FQEVSTJZSA-N 433.509 1.920 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCO[C@@H](C)C1 1741710628 GFVKXRIBKMXTOF-INIZCTEOSA-N 432.550 1.760 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCO[C@@H](C)C2)cs1 1742591111 DACZNFZUBKMWRD-QFBILLFUSA-N 445.593 1.864 30 10 IDEE CC[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1743831775 LICUFLAAXJAXBY-PBHICJAKSA-N 436.538 1.606 30 10 IDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1748804051 CMCAZUKGJODIIT-PXNSSMCTSA-N 434.518 1.198 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC 1748876296 AREGRVGNZYBDGO-UHFFFAOYSA-N 435.937 1.619 30 10 IDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1749592565 PXJLYUMAMVCJPK-UHFFFAOYSA-N 430.465 1.351 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1F)C1CC1 1749666683 PSMMIAOHUBTFTH-QGZVFWFLSA-N 430.459 1.979 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749729546 NCHJXJWSOWIOFV-FIKGOQFSSA-N 449.577 1.657 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C(C)C 1749735039 PETVXVZOLDCOGH-MRXNPFEDSA-N 432.612 1.652 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCC2)C1 1750206283 CIVTYCOKGXBWHM-UHFFFAOYSA-N 445.545 1.637 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1752482265 JIUIRBYDNWFMLY-GJZGRUSLSA-N 446.533 1.188 30 10 IDEE C#CCCCn1c(N2CCC(C(=O)NCC#C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159870 RGFLTVHQQHEXNN-HSZRJFAPSA-N 427.549 1.698 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1OC 1760173419 UVVOMODKDVBPTN-UHFFFAOYSA-N 441.513 1.879 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760183365 AYSQXROQOFQUJS-FQEVSTJZSA-N 439.541 1.870 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1760201454 BKYAKJIIKAXTAP-UHFFFAOYSA-N 431.500 1.226 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1760220294 YUUCJWAOVSACTN-QGZVFWFLSA-N 433.559 1.184 30 10 IDEE C=CCCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(OCC)CCOC1 1760444874 TWMBROGBWSRBHH-XXBNENTESA-N 446.596 1.639 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760520479 OYABSEJWRMKMSA-LJQANCHMSA-N 440.596 1.191 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760525011 QLDHERYCUOXBSO-SFHVURJKSA-N 449.559 1.982 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)OC)CC1 1765560830 NWSDETPFFLJLNL-SFHVURJKSA-N 427.553 2.000 30 10 IDEE CCN1C(=O)[C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)CCN2C1=O 1766929846 JWNMAAONZNDEBG-MRXNPFEDSA-N 425.493 1.852 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1768982438 BWFPUEGGDROJNW-GOSISDBHSA-N 445.545 1.372 30 10 IDEE COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C)C(=O)N3CCO[C@@H](C#N)C3)cc2)cc1 1851083253 XJDYWNLCLNYBBF-KXBFYZLASA-N 429.498 1.780 30 10 IDEE CCS(=O)(=O)NCCCC(=O)N1CCN(c2nc(-c3ccccc3)ccc2C#N)CC1 1852531586 LOQVZVOKLKQDLN-UHFFFAOYSA-N 441.557 1.988 30 10 IDEE Cc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOC[C@H]2CCCO2)n1C 1853418665 QLTGAFZSNXRJSS-OAHLLOKOSA-N 432.502 1.664 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)C1=O 1857166934 DMLRWIALHOXXPR-KRWDZBQOSA-N 428.855 1.702 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NC[C@H](C)NC(C)=O)c(C(=O)OCC)c1C 1860761599 ZUBYPUDJJHCNFC-JTQLQIEISA-N 439.490 1.155 30 10 IDEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 1869928486 LLONKEMRDGOTTL-MRXNPFEDSA-N 440.481 1.758 30 10 IDEE O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933310 CXPCYSINQYTWFW-SJLPKXTDSA-N 431.489 1.771 30 10 IDEE CC(=O)NCCn1cc(OCC(N)=O)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870185549 BXWQTGGDZIRCCF-UHFFFAOYSA-N 443.529 1.333 30 10 IDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCC(CO)CC1 1870570787 LDLORIOAXBMQPC-UHFFFAOYSA-N 433.534 1.416 30 10 IDEE COc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)Nc2nccs2)c1 1874433281 ISYURXYHIUTEAW-ZVBGSRNCSA-N 445.530 1.992 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)CC1 1889316969 LYLPPSKVDYKADN-UHFFFAOYSA-N 427.593 1.410 30 10 IDEE COc1cc(N2C[C@H](CNS(=O)(=O)c3ccccc3C#N)OC2=O)cc(OC)c1OC 1891577584 WTVDEVZAFSCCCQ-HNNXBMFYSA-N 447.469 1.888 30 10 IDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2243435176 LZSMFDORIUMWPI-UHFFFAOYSA-N 426.344 1.789 30 10 IDEE Cc1csc(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2248405729 WBDDEDFGWYGUOZ-ZDUSSCGKSA-N 440.371 1.858 30 10 IDEE Cn1nc(C(=O)N(CCC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2255650898 RXLCCEUEVJIRHD-UHFFFAOYSA-N 446.744 1.891 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1NC(=O)OC(C)(C)C 2255656004 UPPJYVHSIUDZMZ-ZIAGYGMSSA-N 434.346 1.705 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255828135 BPJGMGONSDHYRT-ZIAGYGMSSA-N 434.346 1.847 30 10 IDEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2255843078 BEFJAHWXZQGDJD-YEJXKQKISA-N 430.314 1.515 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2255865420 HIWVIGOXTOEGOS-CABCVRRESA-N 430.314 1.610 30 10 IDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256616910 FWDQRLUFVGOPMI-AWEZNQCLSA-N 437.302 1.791 30 10 IDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC3(CC2)OCCO3)OC1(C)C 2267467660 PJHIIEGOMMFECD-UHFFFAOYSA-N 430.357 1.111 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267603333 ARQKNXAZQCILOX-JLCFBVMHSA-N 444.341 1.905 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)C1 2268640584 IDZZSWRMCAMGIL-INIZCTEOSA-N 446.357 1.918 30 10 IDEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1C(=O)OC(C)(C)C 2271390410 VYIWFPLIERLFDK-ZIAGYGMSSA-N 449.361 1.632 30 10 IDEE CCS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282305901 FQDYFSLIYWBQLD-UHFFFAOYSA-N 443.805 1.414 30 10 IDEE CC1(C)OB(c2cc(=NC[C@H]3CNCCN3Cc3ccccc3)[nH]cc2F)OC1(C)C 2322297516 IATNNEFVOVYBED-GOSISDBHSA-N 426.345 1.828 30 10 IDEE Cn1ncc(C(=O)N[C@@]23CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2343634605 TVLUTOSKVWFORB-FPTDNZKUSA-N 446.357 1.991 30 10 IDEE N#Cc1ccc(C=NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 12510742 HHLVQMCEGQGOEI-UHFFFAOYSA-N 429.527 1.900 30 10 IDEE CCCOc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c1 14641345 WYBQEBFOKYDMKZ-UHFFFAOYSA-N 435.531 1.564 30 10 IDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1Cl 72444287 ZMLLETBVFORUJR-DZGCQCFKSA-N 441.875 1.990 30 10 IDEE C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)[C@H]1CCS(=O)(=O)C1 83812525 VGLOEEOXAKIMDH-WBVHZDCISA-N 442.459 1.703 30 10 IDEE C=CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169887103 XKRQZMQKCXTRNH-UHFFFAOYSA-N 444.444 1.874 30 10 IDEE C=CCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3)CCC(=O)NCC2)CC1 257187172 LLYCNDUQNHNTKB-NRFANRHFSA-N 426.561 1.765 30 10 IDEE Cc1nn(C)c(-n2cnc(I)c2I)c1C#N 304252103 AHWBLHUDAFRHDJ-UHFFFAOYSA-N 438.998 1.995 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1 410243403 YFWDUDBUNSVTEX-KRWDZBQOSA-N 442.541 1.374 30 10 IDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 427439373 PZNRHCFNZLIMET-GOSISDBHSA-N 436.512 1.909 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431220669 RCAJKBRISSFWJC-UHFFFAOYSA-N 443.594 1.817 30 10 IDEE CCOc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccccc3)c2=O)c1 440397093 HFMUGVUGYHAHNM-UHFFFAOYSA-N 449.532 1.563 30 10 IDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC[C@@H]1COc2ccccc2O1 460716285 NEHQJDYVZGUUQM-MRXNPFEDSA-N 432.440 1.732 30 10 IDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)C1 505748054 RHVMNMOENQDNFF-PNCHPQGNSA-N 434.581 1.897 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 508798629 VOARGTIAYUAKGL-GOSISDBHSA-N 449.581 1.219 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 508825892 LSQFXWCDAFQALR-IBGZPJMESA-N 447.561 1.680 30 10 IDEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 544835592 URUWTNNQQDBBQR-HJPURHCSSA-N 438.532 1.739 30 10 IDEE N#Cc1cccc(N2CCN(S(=O)(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)n1 546884676 SUKQPLHDFOPFST-FQEVSTJZSA-N 439.541 1.710 30 10 IDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 550091081 ZWIXFPZHFUHXJV-ZWKOTPCHSA-N 445.545 1.636 30 10 IDEE N#Cc1cc(C(=O)NCCN(CCN2CCCCC2)C(=O)c2ccnc(C#N)c2)ccn1 573469170 YDUYIMQABNJYGR-UHFFFAOYSA-N 431.500 1.578 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 603506473 LCLSGHPGZWSFMC-UHFFFAOYSA-N 439.520 1.430 30 10 IDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3ccc(C#N)nc3)CC2)cc1OC 609648337 SFJVTNNIPLCRLV-UHFFFAOYSA-N 444.513 1.801 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 670208211 ZHZHIJRKORUNHI-QZTJIDSGSA-N 439.582 1.440 30 10 IDEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671666222 VIIMSGQMAXVHPW-QGZVFWFLSA-N 431.518 1.327 30 10 IDEE C#CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 729333306 VHQACOWSTQIKHX-MJGOQNOKSA-N 445.541 1.612 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)/C=C/c1ccc(Br)cc1 735082183 OMZNWHAKKUEOBE-BTTWLWSCSA-N 426.292 1.866 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746748432 WFZIPPKHECRHND-DENIHFKCSA-N 426.473 1.060 30 10 IDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 747903667 XRTFQOBYRNTONG-XNTDXEJSSA-N 439.493 1.860 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(I)c2O)CC1 754903491 GSOVCEMKDGZFJX-UHFFFAOYSA-N 429.258 1.057 30 10 IDEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-n2ccnn2)cc1 756133271 HLMJTGAGXWWOFO-CABCVRRESA-N 438.513 1.962 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758611909 HFYYBEWZJWKHKA-QGPMSJSTSA-N 440.504 1.843 30 10 IDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC)c1 761274597 STTLPIDNURKYSQ-MRXNPFEDSA-N 442.563 1.208 30 10 IDEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)C(C)(C)O1 764986224 BQUPWGRJGSKBKI-FDDCHVKYSA-N 425.533 1.922 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nnnn1C(C)(C)C 766158121 CAYOBPNVPKCXRM-CQSZACIVSA-N 434.522 1.625 30 10 IDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOC[C@@H](O)COC(C)C)CC2)cc1 768300505 DFVBQNRNUGATIO-SFHVURJKSA-N 427.523 1.588 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n(C)n1 769289377 ZJEYNNYTAGMJRC-MRXNPFEDSA-N 444.561 1.332 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 784544969 DLMKCZBGHBVSBB-IKGGRYGDSA-N 441.513 1.999 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2nc(C)n(C)c2Br)n1 805083340 UKYNHPBTIHYCNX-UHFFFAOYSA-N 430.328 1.158 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCCO2)c1 812430244 IEAHRKLLFJGYSI-PMACEKPBSA-N 439.516 1.991 30 10 IDEE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNc1nc(SCCO)n[nH]1 1084346080 ASMJZGTWBIUODP-UHFFFAOYSA-N 428.522 1.666 30 10 IDEE CC(=NNc1nc(Sc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n[nH]1)c1ccc(F)cc1 1084453858 ZJOWYJLCIHLQFB-UHFFFAOYSA-N 429.441 1.205 30 10 IDEE C[C@@H](Sc1nc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cs1)C(N)=O 1126037189 HHMRZVNQQYIFCW-PBHICJAKSA-N 429.571 1.888 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)COc2cccc(Br)c2C#N)C1=O 1126808902 LHFCYFHAULUXSN-ZMZPIMSZSA-N 435.278 1.536 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(C)c2cc(C#N)ccn2)cc1 1128082909 FZHHGDGODLYTLQ-UHFFFAOYSA-N 432.502 1.513 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccc2Cl)C[C@@H](C)O1 1134267741 GLYCZSOUPZMJKH-BIENJYKASA-N 441.937 1.893 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCNC(=O)/C=C\c2ccccc2)cc1 1138770201 ZTZUOMCKXQAVBI-XFXZXTDPSA-N 426.498 1.172 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1140633059 DGBFLVCLNZRSHR-OAHLLOKOSA-N 436.509 1.055 30 10 IDEE Cc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)nn1CCCOc1ccc(F)cc1 1153389942 VYXADLRFTQUEST-UHFFFAOYSA-N 426.408 1.572 30 10 IDEE C#C[C@H]1CCCN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 1161557294 UJJUGMGWZZJUNL-HNNXBMFYSA-N 429.498 1.447 30 10 IDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C1CSC1 1166131227 HHCQDFGLLFAGKV-UHFFFAOYSA-N 436.555 1.451 30 10 IDEE CC[C@@](COC)(NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(=O)OC 1194913898 HGCINJDRKYZRFG-HJPURHCSSA-N 446.548 1.914 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)NCCNS(=O)(=O)c3cccnc3)CC2)c1 1224539298 XQHNGGYDSWNBHA-UHFFFAOYSA-N 442.545 1.195 30 10 IDEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286354921 BISYMFWDSKZIDM-UHFFFAOYSA-N 447.547 1.202 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286386863 IRFNBGSRVMAREM-WOJBJXKFSA-N 444.557 1.767 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286415645 QAXRZYOQDVAWRD-GBESFXJTSA-N 425.512 1.549 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1286442940 RTMRNKRQMYHSHT-MRXNPFEDSA-N 435.532 1.956 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)OC)CC1 1286481462 WAIDEFDOJMYGTB-UHFFFAOYSA-N 438.580 1.632 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286627280 BYUUUDKKGJNBDA-WBAXXEDZSA-N 449.987 1.361 30 10 IDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286706354 NHEVQKIDMAZYAN-YESZJQIVSA-N 426.587 1.154 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1286706880 VXFGSIHUQQRSBM-QGZVFWFLSA-N 442.568 1.931 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286787943 MSDQWEYMEIEYBC-HUUCEWRRSA-N 443.520 1.354 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1286819118 APKMYZLKLGMTDP-SFHVURJKSA-N 434.566 1.475 30 10 IDEE C[C@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1291136976 HYZATGHIEZLIKN-QFBILLFUSA-N 428.562 1.924 30 10 IDEE CCc1nnc(N2C[C@@H](N3CCCN(C(C)=O)CC3)[C@H](C)C2)n1Cc1ccc(C#N)o1 1292893193 LXKLLWVMJPHZGW-OXQOHEQNSA-N 425.537 1.732 30 10 IDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1295877211 JVRQEBNYMWXENS-HXUWFJFHSA-N 433.534 1.493 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3N)CC2)c(Cl)c1 1297132411 ASSSIRCZGYFDFS-UHFFFAOYSA-N 433.921 1.421 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1297626358 FAIJSYYCEVNJLP-NYDSKATKSA-N 441.532 1.988 30 10 IDEE CN(Cc1ccccc1S(N)(=O)=O)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1298455274 FOVDYBNCEFAGLZ-OAHLLOKOSA-N 446.916 1.871 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC(O)CC1 1300303191 GYTOZSXIFYGIGH-MRXNPFEDSA-N 435.532 1.899 30 10 IDEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1300375736 BSTICFIAHDPJGD-IAGOWNOFSA-N 425.599 1.986 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300421933 CIOVISMRKUXSDF-VQIMIIECSA-N 428.489 1.639 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1300483353 KXYQJYCHDAFEAI-QGZVFWFLSA-N 449.964 1.751 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300498335 JFTJQCXKPRSDOA-RBUKOAKNSA-N 429.546 1.460 30 10 IDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300756935 WSWJCDGISGOXEP-AWEZNQCLSA-N 437.529 1.627 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCOC[C@H]1C 1301278696 OWFKJMDMRBWISY-QGZVFWFLSA-N 448.593 1.538 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1301340172 WCZFDKZVKWZGIE-SFHVURJKSA-N 442.545 1.728 30 10 IDEE CCCN1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1307036237 NIUCJSNRAPEHGD-JKSUJKDBSA-N 425.603 1.749 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1308163459 LTKCNAVAHUBPHV-RDTXWAMCSA-N 443.447 1.758 30 10 IDEE C#CCOc1ccccc1CNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1312002716 FLSTXQPHSMKGFP-KRWDZBQOSA-N 442.516 1.718 30 10 IDEE C#CCN1CCC(NC(=O)NCC(=O)Nc2ccc(I)cc2)CC1 1312684421 CYKNQMICFNCXBB-UHFFFAOYSA-N 440.285 1.627 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1313488455 HQDXIZDJXXMTLA-HNNXBMFYSA-N 447.565 1.460 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)cc(OC)c1OC 1315307087 ZRYMSBIQYMHCMK-INIZCTEOSA-N 431.493 1.862 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccn(C)n1 1316205870 JEZHGCKJKDLAGE-VQIMIIECSA-N 428.541 1.155 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1316264738 RZXODDABPLHSBS-JTSKRJEESA-N 427.505 1.864 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1322289802 LDHUEWVDCFYOTB-MWTRTKDXSA-N 431.452 1.282 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCOC2=O)cc1 1358872185 PZWNFNDHTYFDKC-LSDHHAIUSA-N 446.533 1.351 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1358967034 BYRHUDCRXXVZEN-RBUKOAKNSA-N 437.610 1.562 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358967089 DDZYQJLNIJAWIX-MRXNPFEDSA-N 436.509 1.659 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(N)=O)cc1 1359018428 PBBVZOJNNPNZCN-UHFFFAOYSA-N 425.493 1.139 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1359027988 CLLKFFJSZXFMKD-UHFFFAOYSA-N 447.547 1.109 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359036944 OSFCTZNEPRSDFX-QFIPXVFZSA-N 437.592 1.376 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC(C)C)CC1 1359037803 XYWYOHSTJGLVDY-UHFFFAOYSA-N 434.548 1.187 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COCC)C1 1359057133 STPNJXMTQHJJBY-IRXDYDNUSA-N 426.608 1.800 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1359070084 FCHHYOKOKHGWDP-VGOFRKELSA-N 447.605 1.963 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC(c2ccccc2)C1 1360713434 HQLLJLOTZXLAOA-JVGQSUMCSA-N 444.561 1.811 30 10 IDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1ccc(Br)cc1C#N 1439172745 CZYLYYNSBLWERQ-UHFFFAOYSA-N 443.301 1.825 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)s1 1452155247 WGZDKRQZBOEDRK-QGZVFWFLSA-N 447.582 1.920 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(OC)(OC)[C@H](O)C1 1469327440 CPLYTBHZCGFOCQ-OAHLLOKOSA-N 443.294 1.681 30 10 IDEE COC[C@H](F)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504604788 KPNZTFZDSLIEIB-JFIYKMOQSA-N 444.515 1.881 30 10 IDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507562389 XBSXIDQBBVDRGO-KBPBESRZSA-N 426.443 1.538 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507634041 IKFCOZCNGUUDOT-GDBMZVCRSA-N 441.554 1.245 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507647874 HXWDNYRAKCSURY-UHFFFAOYSA-N 431.475 1.832 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1507669145 SPLZXWLPQIHBOU-UHFFFAOYSA-N 441.513 1.172 30 10 IDEE C=C(C)COCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507848995 QZABDQJFDFRLBU-QFIPXVFZSA-N 435.569 1.970 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1508091172 LXBUFDOWRYFDNJ-QGZVFWFLSA-N 426.521 1.776 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@@H](F)C1 1508140105 KRBRAIJDIDFQKD-OCCSQVGLSA-N 425.486 1.401 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCn2c(nc3c2CCCC3)C1 1508147505 AEVCFHAXWOAIEC-UHFFFAOYSA-N 434.566 1.511 30 10 IDEE Cc1occc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1510461085 AGXVTQMQSKLBML-NRFANRHFSA-N 441.513 1.904 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)cs1 1511545426 IJKNERALYMPKPN-GPMSIDNRSA-N 445.593 1.862 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1539016810 VRGNLAJKLZNSMF-GVDBMIGSSA-N 431.566 1.041 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1539415504 FDVACKBBMSSLIY-UHFFFAOYSA-N 433.578 1.909 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1539429902 DSLKVAGCDOEFBW-NFBKMPQASA-N 430.597 1.560 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539801553 CGYCFKLNTNRVMV-OAHLLOKOSA-N 431.928 1.745 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1540868869 UVPIUPODMCTFLO-UHFFFAOYSA-N 430.513 1.038 30 10 IDEE C[C@@H]1CSCCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1545131167 IIPCIGXFYNTHMG-YESIBHTGSA-N 432.550 1.988 30 10 IDEE CC(C)(C)OC(=O)N(CCNC(=O)Cn1cc(C#N)c(O)nc1=O)C1CCCCCC1 1545784958 HUMAAXDMVNFSJY-UHFFFAOYSA-N 433.509 1.897 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1552374679 QFSJYNFROVWKIG-GOSISDBHSA-N 448.549 1.224 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@@H]1CCOC1 1555742568 IDPANXLDEMEWNF-RYLXDESZSA-N 437.516 1.887 30 10 IDEE CS(=O)(=O)CCCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555803858 CMQXIQISTMYSRF-UHFFFAOYSA-N 430.534 1.905 30 10 IDEE CCOC(=O)[C@]1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1558005878 HIHUOKNXMYZNQQ-NRFANRHFSA-N 449.529 1.140 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](CO)c1ccccc1C(F)(F)F)c1cc[nH]n1 1558507139 DHAAANFLEZWABR-CQSZACIVSA-N 428.367 1.562 30 10 IDEE C#C[C@@H](C)N(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1559797201 KBLWZQOGTYTTFY-VGSSETLESA-N 431.539 1.686 30 10 IDEE C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1565629662 FOTMUJPUKFYTKB-OKTMORDVSA-N 427.486 1.600 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1588140678 ZTFKZMFVHJVZDG-HOTGVXAUSA-N 443.495 1.137 30 10 IDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnnn1C 1588314685 NEFIWYYYBDWEDS-UHFFFAOYSA-N 431.504 1.701 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1588976492 ZZAUVYUCDZNRIB-UHFFFAOYSA-N 428.566 1.654 30 10 IDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1593696331 NOEBLLPLXCHTQD-DOTOQJQBSA-N 437.570 1.556 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1594943610 ULGIOCYMEUHTED-UHFFFAOYSA-N 430.534 1.732 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595476643 MHHVNHRFJSVWFB-RRQGHBQHSA-N 445.451 1.974 30 10 IDEE CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1598483883 QHMILRQEAUHBPN-BIIVOSGPSA-N 432.333 1.944 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1613428796 CBHPMMUGQDZOEP-VQIMIIECSA-N 426.521 1.973 30 10 IDEE CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1613638732 KPBUDYQWMZCZHD-ZWKOTPCHSA-N 442.568 1.837 30 10 IDEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2[C@H](CCN2Cc2ccc(C(F)(F)F)cc2)N1C 1616139499 XSWAIOAWCGLRKR-WSTZPKSXSA-N 436.478 1.608 30 10 IDEE COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619917942 KYZFBJKOTQKGQU-INIZCTEOSA-N 434.504 1.977 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1620044913 JTSBOYJGPGABIV-HCLVMJGWSA-N 441.532 1.988 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)CC1 1620353985 ZMEKCOWVLCSJJP-ROUUACIJSA-N 437.566 1.506 30 10 IDEE CCN(CCC#N)C(=O)CN1CCNC(=O)[C@@H]1c1ccc(I)cc1 1620637690 BMUOEVDERPDACA-INIZCTEOSA-N 440.285 1.526 30 10 IDEE N#Cc1c(N)sc2c1CCN(CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 1620642166 JZKVIBCGDLTHMB-UHFFFAOYSA-N 426.502 1.817 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2c[nH]nc2I)CC1 1623627775 PTHGBHNDJCQXJB-UHFFFAOYSA-N 438.229 1.714 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2cccc(OCC#N)c2)C1 1628995717 DKQWJHROQCLPEI-IIBYNOLFSA-N 449.529 1.487 30 10 IDEE C=C(C)C[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1632042308 NXDPWNAEKRARMH-INIZCTEOSA-N 441.550 1.483 30 10 IDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1633173576 YJWYBSBQLKSBPD-UHFFFAOYSA-N 441.509 1.861 30 10 IDEE Cn1cc(CNC(=O)c2cn(CCO)nc2C2CCOCC2)c(-c2ccc(C#N)cc2)n1 1633845382 SNGLGACDHOJZKN-UHFFFAOYSA-N 434.500 1.972 30 10 IDEE C#CC[C@@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CCCN1C(=O)OC(C)(C)C 1635494408 BPPIIRAJABFFOA-MCFFVMPBSA-N 437.537 1.876 30 10 IDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1636890041 ZELMHYMOTYWIHE-NDEPHWFRSA-N 444.506 1.039 30 10 IDEE Cc1ccc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1638811384 VTJOZLUSYSXKGR-LJQANCHMSA-N 440.525 1.575 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 1640202354 ZFYJJKCMOLXFQO-OAQYLSRUSA-N 437.462 1.548 30 10 IDEE COC(=O)c1ccc(CN(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1641683996 NSLAYPBNVQLKGN-CYBMUJFWSA-N 430.486 1.344 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2cc(O)n[nH]2)C1 1644261381 SNOPZUQGVHPUPC-ZFWWWQNUSA-N 431.518 1.729 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CCO2)cc1 1647997599 CSHVQDIKFNRJPF-HXUWFJFHSA-N 427.482 1.467 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@H](c2nccc(O)n2)CC1 1648505338 WPQNIOFYIMJCFH-SHTZXODSSA-N 443.529 1.844 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 1650846095 JZUJUXHFZHUGRY-UHFFFAOYSA-N 425.514 1.191 30 10 IDEE COc1ccc(C[C@H](CO)CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1Br 1655361565 ICMOLCKCNIHPDM-JSGCOSHPSA-N 434.356 1.677 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c2c(Br)cccc12 1666565969 DKMMOFREBDMRTJ-NSHDSACASA-N 431.333 1.741 30 10 IDEE C#CCN(C(=O)NCCc1cc(OC)c(OCCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1672735227 XSHLNXFGCKGQLG-KRWDZBQOSA-N 438.546 1.867 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1685126919 BJIDLACQWFJYEK-VQHPVUNQSA-N 441.536 1.681 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1 1685843925 CZHOCKDMLZDBGW-UHFFFAOYSA-N 433.571 1.645 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)C1(OC)CCOCC1 1689966366 PXMDUACDHMIQNR-CQSZACIVSA-N 432.493 1.081 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 1689975419 VYMMGOCQNOKONW-IBGZPJMESA-N 426.565 1.961 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1689992693 NVDNTEOMTKSRER-RBUKOAKNSA-N 435.594 1.362 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCOC1 1690095566 UXPOGKDEQPYJTL-LJQANCHMSA-N 435.322 1.945 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1690170967 SPQDYDZUVIYYJK-CYBMUJFWSA-N 448.490 1.618 30 10 IDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1690484616 AGDRSSYRMOIFOI-CYBMUJFWSA-N 429.497 1.639 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(N)=O)c2)C1 1690684807 OSUHVDDAEIGNIN-SFHVURJKSA-N 447.499 1.854 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690706832 KUCWLWPRKLXZJG-SJORKVTESA-N 425.599 1.930 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)C)CC1 1690726454 ANDQTBMSVJMGED-UHFFFAOYSA-N 446.577 1.169 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690752380 GLCBEMAUSATONF-QZTJIDSGSA-N 434.610 1.792 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1692495347 HDUGPBFWIWMNHP-ZWKOTPCHSA-N 439.495 1.520 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCCCO 1692535579 DJCWBEQPMWELNJ-UHFFFAOYSA-N 425.537 1.777 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC(=O)N1C 1693787025 SSOMBGVZTODRQX-OAHLLOKOSA-N 433.472 1.393 30 10 IDEE CC[S@@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1696519201 JUQFPAPUWISPSP-WTPASJBYSA-N 443.577 1.882 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1705527474 YYFZLECBLTXNTE-SFHVURJKSA-N 429.546 1.867 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1705552061 VJLQXIYCSVRRPX-MRXNPFEDSA-N 433.509 1.127 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1705567782 ZLZCKJKUHODMNQ-WMZOPIPTSA-N 449.602 1.806 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)N(C)C)CC1 1705635620 DTKPCQLHUKHYLB-UHFFFAOYSA-N 445.365 1.941 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(CS(C)(=O)=O)CC1 1705676921 UMPAQSRTFJVGRN-HXUWFJFHSA-N 430.578 1.957 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCS(C)(=O)=O 1705706169 QNIBNRVNFFMTDR-IEBWSBKVSA-N 436.582 1.602 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccco2)C1 1705929246 MHOPWNXSQZGJOI-MRXNPFEDSA-N 428.493 1.205 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705939055 QRWJQNHQBXUZPO-HXUWFJFHSA-N 442.582 1.535 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705988844 BETLEULYDFNWQL-QFIPXVFZSA-N 439.589 1.923 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1708336926 FCDIFOKIDWZPDY-QGWWYQLQSA-N 426.587 1.815 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1710892995 FWFYYDKXGPNAGC-KRWDZBQOSA-N 441.920 1.765 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C#N)cc1 1710893357 VKSAVOCFXBABMC-UHFFFAOYSA-N 442.549 1.516 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2Cc2ccn(C)n2)n1 1722429190 ILFQUNRWEBYEGX-GOSISDBHSA-N 438.536 1.437 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)cc2C)CC1 1722438089 SVDBIOPADTWDTD-NRFANRHFSA-N 441.601 1.795 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCCOC)cc2)CC1 1722438676 XRANTJFQTGUKQZ-UHFFFAOYSA-N 447.543 1.954 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722458123 DEVGZZTZUIROHS-HOCLYGCPSA-N 444.565 1.170 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722480939 VFOJGUIAIVNIEP-QLFBSQMISA-N 442.358 1.968 30 10 IDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722522458 QNDBNOKHOZEVMY-SFHVURJKSA-N 442.495 1.672 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722608712 KVFAZAKOSNWWQH-JTDSTZFVSA-N 427.571 1.629 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722693034 BTITVFFIRKDXBA-AWEZNQCLSA-N 427.465 1.213 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C2CCC1(C)CC2 1722728992 VHEUYAIDLWVTCU-SYJJWHGVSA-N 428.580 1.302 30 10 IDEE CC(C)(C)OC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1722996609 QZRYJIQVOORGKS-HNNXBMFYSA-N 433.513 1.158 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O)N1CCOCC1 1723817151 BSXMFPRFZSAJSZ-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726985894 AFXOSVJSSPXYMQ-OSCRUYLVSA-N 443.552 1.623 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1740618672 AKDHDDBQOCKDNE-NVXWUHKLSA-N 446.529 1.583 30 10 IDEE C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1740621139 TZQQLKRHFDLXOI-SFHVURJKSA-N 440.533 1.348 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCS(C)(=O)=O 1740679042 MMVZWQSKUYIKQW-UHFFFAOYSA-N 444.536 1.963 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1740703508 VLVLUTUDIJFJLI-UHFFFAOYSA-N 427.505 1.626 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C1CC1 1740726539 DDFCGSKQTCOKBZ-JOCHJYFZSA-N 441.557 1.867 30 10 IDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740781309 BLIVPAUGHITSCE-GOSISDBHSA-N 441.511 1.705 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740786873 RFTPDXHCBFJFSP-UHFFFAOYSA-N 437.504 1.642 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1740960431 RJYQSCGXOSTHOL-AEFFLSMTSA-N 445.545 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740985611 JZIKPTKYEGHHCQ-HZPDHXFCSA-N 432.612 1.796 30 10 IDEE CC(C)(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1741201669 CIUWGAPZJMMAQL-GOSISDBHSA-N 435.532 1.790 30 10 IDEE CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1741421454 VDLANJVRIOTIOM-CVEARBPZSA-N 429.525 1.711 30 10 IDEE CCN(CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1746155785 BBPGLBGBKCCVSI-APWZRJJASA-N 425.603 1.750 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1748077076 SASMWUQZGFESGC-AEFFLSMTSA-N 435.532 1.551 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1748666686 FZBYSYSDOVITFC-RBUKOAKNSA-N 428.581 1.970 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCS(=O)(=O)CC1 1748837352 CYVPONHSCPZDES-UHFFFAOYSA-N 426.498 1.571 30 10 IDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)SC)CC1 1748990038 UFWODLBLBCZQBJ-GOSISDBHSA-N 440.621 1.959 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749230040 TVLSQUXHSWQWCX-IAGOWNOFSA-N 444.540 1.297 30 10 IDEE C=CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)c1ccccc1 1749385730 UCFBGWHPQFFQKR-QZTJIDSGSA-N 429.546 1.476 30 10 IDEE C=CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749450992 ZXKCJHSVLFRWKN-GVDBMIGSSA-N 430.553 1.310 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CN1CCCC1=O 1749465219 QJCBYQDREGVINI-INIZCTEOSA-N 446.577 1.681 30 10 IDEE C=CCSCCn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1749763994 PDDVJSUQSBQCSP-CQSZACIVSA-N 427.556 1.007 30 10 IDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750196121 XADUYYZXPAXYSU-KIJUOZEOSA-N 448.549 1.085 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1750389923 RJIKVQCKUCWDND-ROUUACIJSA-N 437.566 1.506 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc[nH]2)nnc1N(CCO)Cc1ccccc1 1750418100 HWMRNJZXVRIYBP-XDOYNYLZSA-N 447.499 1.799 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1760185237 SWKZLQJNXPTIJJ-SFHVURJKSA-N 437.525 1.915 30 10 IDEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1760185887 GJTZLYJORMXYCO-SJORKVTESA-N 442.607 1.243 30 10 IDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760207455 KCFSYNWCFJSUTD-QFIPXVFZSA-N 442.541 1.096 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)N(C)C)CC1 1760266689 IRPBMMSKKDIOLZ-MRXNPFEDSA-N 439.520 1.769 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760351042 AGKQHCPVOCQILX-WCXIOVBPSA-N 427.571 1.342 30 10 IDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CC2)CC1 1761192837 UBCIASVITQVLRX-UHFFFAOYSA-N 435.532 1.790 30 10 IDEE CC(C)NC(=O)CN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1761264908 WAGRCBDBTUADPW-UHFFFAOYSA-N 448.531 1.423 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1767247909 FLERNIWIOCNEKI-SFHVURJKSA-N 440.504 1.060 30 10 IDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1768260018 WYBBNRZPGLOSPJ-GOSISDBHSA-N 433.534 1.779 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)F)CC2)C1=O 1769055804 KUEXQFGOVCTUKM-NRFANRHFSA-N 429.475 1.682 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCC(=O)N1 1769820253 WLBPCNOOQLKJJM-GOSISDBHSA-N 432.488 1.538 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C#N)C1 1771358744 PMKSFFMELWSJDJ-INIZCTEOSA-N 445.501 1.481 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@@H](C)O1 1771504608 BENIJCBYUZJDRP-CALCHBBNSA-N 435.536 1.539 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 1771529032 HGEJGCOHAQIVLC-IVZHQMGZSA-N 443.458 1.154 30 10 IDEE Cc1c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nnn1-c1ccc(F)cc1 1852999069 OYIIGCKRJNLFMN-UHFFFAOYSA-N 435.463 1.961 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2ccccn2)c(C)c1 1853558189 XRRXMPKJZNPTJC-UHFFFAOYSA-N 431.562 1.603 30 10 IDEE Cn1cccc1C(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)NOCCN1CCCCC1 1853594648 LYNYUOBTNHLQIS-UHFFFAOYSA-N 445.545 1.662 30 10 IDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2=O)ccn1 1853781389 INSULBUCNHCJNM-UHFFFAOYSA-N 438.387 1.645 30 10 IDEE N#Cc1ccc(C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)cc1 1854405373 HEWSNRZWCZLTNC-GOSISDBHSA-N 429.542 1.980 30 10 IDEE N#Cc1ccc(CC(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854408804 TTXWTDHDHVBKFY-LJQANCHMSA-N 429.542 1.519 30 10 IDEE COCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21 1869932202 WZTGFAWEWYSVOY-GOSISDBHSA-N 426.498 1.580 30 10 IDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCc3cnc[nH]3)ncnc21 1875230373 WTJHFDFNVICIOV-UHFFFAOYSA-N 437.504 1.974 30 10 IDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1890351979 VROAZUCSOMVREP-UHFFFAOYSA-N 427.517 1.385 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCCn2ncccc2=O)[C@@H]1c1ccc(C#N)cc1 1892053149 CDXNHXCZSNXMIK-LEWJYISDSA-N 439.541 1.715 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 2109534938 LEZRBFMRXOLUPL-UHFFFAOYSA-N 445.369 1.892 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 2223258725 XYKQOLKMPMWHHT-JYJNAYRXSA-N 440.346 1.412 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247922904 PJTOJAXIERVJHQ-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)s1 2248401491 JPYHCSKZZBZZIB-CQSZACIVSA-N 440.371 1.858 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255528107 WVJJNXNFBUVXBU-CQSZACIVSA-N 438.305 1.740 30 10 IDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2255645349 OSLHENZQVATCMV-OAHLLOKOSA-N 432.330 1.857 30 10 IDEE Cn1cc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255655377 LOURCAJKTVNTIJ-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)ns2)OC1(C)C 2255837353 OESBXLVSHXASBR-JOCHJYFZSA-N 443.378 1.809 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256622239 FBVXFADIVURRBN-UONOGXRCSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2266992223 QIQMIKAOXVKFLB-SJORKVTESA-N 447.341 1.793 30 10 IDEE Cc1c(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267005406 MHEDINRVKDWBBV-ZIAGYGMSSA-N 446.357 1.623 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267163163 UTAXXQBFQFPYQI-HNNXBMFYSA-N 448.329 1.142 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H]2COC[C@H]12 2267569808 PNCCVRDVXCMXLJ-OIISXLGYSA-N 447.341 1.678 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 2268715080 FYUJFWOKBBOUBZ-KRWDZBQOSA-N 446.353 1.961 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=S3(=O)CCOCC3)cc2Cl)OC1(C)C 2282831226 GSZKCKWIPLPTCJ-UHFFFAOYSA-N 441.789 1.888 30 10 IDEE C=CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCNCC1 2286050786 DOPWEPXSLMMPJO-QGZVFWFLSA-N 439.534 1.072 30 10 IDEE CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O 2333320762 MWZOULASPWUGJJ-BOLBYERCSA-N 449.548 1.887 30 10 IDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2367814718 BWRGNDMAEVEYGQ-DENIHFKCSA-N 434.558 1.709 30 10 IDEE Cc1ccc(N(C(=O)CN2CCCC2=O)c2ncccc2S(=O)(=O)N=CN(C)C)cc1 18393 WAXZFLKOBZTBKA-UHFFFAOYSA-N 443.529 1.956 30 10 IDEE C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 15545640 ZMMVLZXTESQBAF-MRXNPFEDSA-N 430.505 1.881 30 10 IDEE Nn1c(N/N=C/c2ccccc2O)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 20527342 CUNWPHBIEQCTTN-DJKKODMXSA-N 428.434 1.783 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 46791597 BRPUAAGYEJSMCF-CALCHBBNSA-N 442.541 1.537 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)ccc3OC)n2)o1 59879777 DUQAIJRZGHTPIY-DNTJNYDQSA-N 446.493 1.622 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 97472689 PJMCHVVUMPIUQG-UHFFFAOYSA-N 438.576 1.716 30 10 IDEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])[nH]1 253567459 KBSVUNYVQHVLIQ-OMCISZLKSA-N 439.410 1.238 30 10 IDEE COC(=O)[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 428565894 JOEBTQJTLOVIDM-RNODOKPDSA-N 433.461 1.569 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCN3CCC4(CCCCC4)CC3)n2)cc1 443126551 HYEHQCPUKSTCBZ-UHFFFAOYSA-N 449.559 2.299 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 460549105 DZJMXVDGNZLLCL-IKGGRYGDSA-N 425.555 1.335 30 10 IDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 518388023 KNJLYCIJJKGUGY-IBGZPJMESA-N 436.516 1.547 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3c[nH]cc(Br)c3=O)C2=O)cc1 534850324 XUEQNJJPMVWFPC-ZDUSSCGKSA-N 444.245 1.853 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)oc3C)n2C[C@@H]2CCOC2)CC1 559193496 GKNBSHOQPUBBRJ-SFHVURJKSA-N 428.537 1.616 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)C1=O 565442357 CNFLMCHWMVDFAU-RHSMWYFYSA-N 438.406 1.332 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)cc1 577660819 LQCOIXDRLCVXIP-UHFFFAOYSA-N 438.488 1.689 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 580305960 DAAGXNDLUOUHAA-IBGZPJMESA-N 431.562 1.792 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)C1=O 583836665 CIXANUHRPNLHSG-SNVBAGLBSA-N 429.355 1.205 30 10 IDEE CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C#N)c2=O)c1 604003033 XHIXTJLIVMSQNV-UHFFFAOYSA-N 444.516 1.809 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4ccc(S(=O)(=O)NC)cc43)cc2C1=O 607710372 KHBFCVZRYDYZCZ-UHFFFAOYSA-N 425.466 1.580 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@H]1CCCO1 610929010 KDCXKFWSHYZOJH-CYBMUJFWSA-N 437.974 1.833 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(C[C@H]2CCCO2)c1=O 642092642 XPWWVOLCMHOTAF-OAHLLOKOSA-N 438.484 1.347 30 10 IDEE O=C(Nc1ccc(F)cc1)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 728525008 DWETURFQHWTGGX-OAHLLOKOSA-N 448.501 1.404 30 10 IDEE C[C@@H]1CN(C(=O)c2ccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732699580 AJEGIJDHBNHDLH-LZJOCLMNSA-N 425.533 1.818 30 10 IDEE COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1 740212018 ZWGNJWLDGDFBKI-SFHVURJKSA-N 432.454 1.554 30 10 IDEE Cc1ccc(Br)cc1NC(=O)CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 746189998 DRLHTPQYUFTMRY-ZCXUNETKSA-N 435.278 1.729 30 10 IDEE CCCCCCn1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(O)nc1=O 760621996 XQRFRVWFLTVSRR-UHFFFAOYSA-N 446.533 1.307 30 10 IDEE C[C@@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(Br)cc1 770504003 NDIPBIJWGJHMAJ-SWLSCSKDSA-N 427.320 1.909 30 10 IDEE C#CCN(C(=O)N[C@H](CC)[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 774240518 KEDRNXZKGUARHF-NJDAHSKKSA-N 433.574 1.498 30 10 IDEE CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 776136467 AXYGYDOJLMQDGS-CMTMBAJVSA-N 438.893 1.336 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 778567403 YDCSAFGSCLBOAR-FQEVSTJZSA-N 437.500 1.933 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)c1 780863916 SQUDETHUCCLFAF-QHCPKHFHSA-N 435.484 1.687 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)n1 788695111 DPNKJDMSSQYVEZ-MRXNPFEDSA-N 430.530 1.651 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2nnnn2C2CC2)C1=O 790726092 HVBLQBWTOIXHKI-AWEZNQCLSA-N 448.578 1.269 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12)c1cc[nH]n1 799769975 INFLWVYSNOWKQA-INIZCTEOSA-N 439.472 1.645 30 10 IDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@@H]3CSC[C@H]3O)C(=O)[C@]12C 1076000494 ZLCUAISAQVPXBL-IAYFVIFASA-N 445.493 1.635 30 10 IDEE COc1ccc(C=c2c(=O)oc3n2-c2oc(N)nc2[C@H](c2ccc(OC)cc2)C=3C#N)cc1 1084396312 NCZWXYKKNJTZIP-LJQANCHMSA-N 442.431 1.666 30 10 IDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1131944933 NEZFNQSKNJWZFS-SFHVURJKSA-N 449.573 1.466 30 10 IDEE C#CC1(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CCCC1 1132807352 KOTZFINPWAWWSW-UHFFFAOYSA-N 444.557 1.589 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)N[C@H](C#N)CO)cc2)cc1C 1140739088 BDUXZKSFZOIMTR-IAGOWNOFSA-N 431.514 1.897 30 10 IDEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c(C)n1NC(N)=O 1141804086 RORXVPVQAPESHZ-QJOMJCCJSA-N 432.506 1.792 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 1143030000 VROQWWQPOGPTMB-UHFFFAOYSA-N 441.532 1.480 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccncc1 1144429454 VCOCZEFSQCVFLU-YKIWDAPBSA-N 445.523 1.940 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN([C@@H]4CCOC4=O)CC3)C2)C1 1151969107 FTBCQRLGMROXPP-FNKIUMDLSA-N 446.548 1.669 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(Br)cc2)c1=O 1166614894 OBPVCADNKBCAPK-UHFFFAOYSA-N 448.273 1.869 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)C1 1177760088 XUKSPPIJYVFJJF-LJQANCHMSA-N 428.558 1.628 30 10 IDEE CCn1cnc2c1CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1178756984 IFUHUWNMXWCKMA-UHFFFAOYSA-N 427.530 1.760 30 10 IDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)nc2C1 1179656582 UBJXLGCERXYBFA-YCRPNKLZSA-N 446.529 1.385 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N[C@H]2CCCc3ccccc32)c1=O 1189861851 PVVCTNIUWPDOKJ-SFHVURJKSA-N 438.484 1.417 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)nn1 1213354394 UEUMIWZNNDOARU-UHFFFAOYSA-N 429.296 1.965 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)N(C)C)CCCC1 1286379382 PLLIMAOSBAEGKS-UHFFFAOYSA-N 428.562 1.988 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286386860 IRFNBGSRVMAREM-PMACEKPBSA-N 444.557 1.767 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1286787233 DBJGYRQNBDDLOT-MSOLQXFVSA-N 446.596 1.853 30 10 IDEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1291292531 FZHVVOZISQKPLE-HDICACEKSA-N 429.569 1.640 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)cc1Cl 1293032765 OPCJARVFFPJWHK-MYXCPXAOSA-N 427.848 1.207 30 10 IDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1298022028 YRNZDCFLZCFDBH-ZHRRBRCNSA-N 431.489 1.785 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCC2(O)CCOCC2)n1 1300676403 OXVPXSCINMEXQE-UHFFFAOYSA-N 444.580 1.990 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2cccc(OC)c2)CC1 1300695422 AAXGKTLJNPVTGL-SFHVURJKSA-N 433.516 1.966 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(CC)CCS(C)(=O)=O 1300892178 QCNBRULRCLEYLI-LPHOPBHVSA-N 439.582 1.253 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1301526125 MJMXMSWCBVUNBX-TZIWHRDSSA-N 441.532 1.736 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1301567514 XQWBDJVFWXCFJA-NZQKXSOJSA-N 443.548 1.714 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1301588433 ZFLMMRUCXOVCAW-UHFFFAOYSA-N 437.541 1.916 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1302480683 UHSJKWYAISMFPW-HDMKZQKVSA-N 426.518 1.038 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCCCCCC3)n2Cc2ccc(C#N)o2)C1 1302487202 ZAJOLVAHUILIPU-GOSISDBHSA-N 448.549 1.894 30 10 IDEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1302543012 DSFRMGRDDRXCEN-INIZCTEOSA-N 427.578 1.778 30 10 IDEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1302982531 LRJSFWDDAYAJAV-KRWDZBQOSA-N 429.546 1.993 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCS(C)(=O)=O)CCOC1 1303493267 GQMWFDZLDZDHDI-FQEVSTJZSA-N 439.582 1.883 30 10 IDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)NC(C)C 1305468891 SREMOIMRJKLNSI-CQSZACIVSA-N 447.565 1.654 30 10 IDEE CC[C@H](C)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305551843 MNKQGTCABATVGO-XZHYIPMRSA-N 427.553 1.993 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@@H]3CCN(c4ccccc4Cl)C3)C2)c(=O)nc1O 1312993137 SWKGKWXGLKELJT-ZDUSSCGKSA-N 428.880 1.567 30 10 IDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 1313017420 IJJTWNUNAZHOCL-UHFFFAOYSA-N 444.536 1.859 30 10 IDEE CN(C)CCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1314673273 KSKWPUCQBOHVOO-LPHOPBHVSA-N 428.493 1.098 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCO 1316288415 NMJLRIMCHQOVLY-KXBFYZLASA-N 442.520 1.700 30 10 IDEE CS(=O)(=O)Nc1cccc(F)c1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1323720981 UIENAXNVUPEIMV-UHFFFAOYSA-N 432.481 1.496 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 1325120566 BRVNJNAHJCOKSR-MRXNPFEDSA-N 448.548 1.856 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358964465 ZLAJEROBVXACTN-QZTJIDSGSA-N 432.550 1.004 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1358965881 DAIVFCOCAHBQSP-MRXNPFEDSA-N 430.521 1.919 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@@H]1C 1359006856 LKFWATBJIIVCBK-FOIQADDNSA-N 432.550 1.238 30 10 IDEE C#CCSCCn1c(N2CCCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1359061763 LOONYYSDHAVOOA-QFIPXVFZSA-N 449.621 1.991 30 10 IDEE C=C(C)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359125809 UHSHOOOGDJDMKB-OWCLPIDISA-N 431.541 1.839 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2OC)CC1 1359302698 QPQHDAZBRJHINT-UHFFFAOYSA-N 447.543 1.901 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359302854 VUBQGFOBTCCCTP-HTAPYJJXSA-N 426.521 1.340 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359307001 XRUDPDLBVBYGDL-KPFFTGBYSA-N 443.552 1.107 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1N1CCOCC1 1360247921 IDJSISIMVQQGCZ-SFHVURJKSA-N 439.520 1.030 30 10 IDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 1361176505 OVTSQLUMFHLFRY-GOSISDBHSA-N 441.532 1.619 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NS(C)(=O)=O)cc2)s1 1440831011 YUTHDNOHCMVDPJ-UHFFFAOYSA-N 429.545 1.765 30 10 IDEE CN1CC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H]1c1ccc(Cl)c(F)c1 1447099722 DTYUGOCCECQHRT-ACJLOTCBSA-N 433.871 1.812 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3ncc(Br)c3C2)cc1 1453476841 LPENMGDPSCPPKJ-UHFFFAOYSA-N 425.308 1.766 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)c1 1454866137 YDZQUYFTQFTNPN-OAQYLSRUSA-N 441.553 1.537 30 10 IDEE C#CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1460187083 JESGZFIEIVINRQ-UHFFFAOYSA-N 430.530 1.458 30 10 IDEE C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1494603683 UVIZXHQZXLAZKN-MJGOQNOKSA-N 426.521 1.675 30 10 IDEE CCS(=O)(=O)NCCCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503274768 RLFJZILSXYESRO-UHFFFAOYSA-N 433.538 1.266 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1503851542 YTWVZUPOZWFIRX-IJYGLTAASA-N 444.536 1.783 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1507659595 ZUUSIGFAUMAWLL-FGTMMUONSA-N 429.521 1.537 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2Cc2nncn2C)n1 1507716556 LRBCQHRLIVOKDF-UHFFFAOYSA-N 431.504 1.605 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)COC3)CC1 1507718077 AROUKNGILRVQIR-SFHVURJKSA-N 425.533 1.836 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1507944440 RQRGUSOLVULPHB-HNNXBMFYSA-N 437.545 1.715 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 1507954059 KJSDPOLOCDKYIX-HZPDHXFCSA-N 427.571 1.581 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507960573 PFJSHNXYHOGZGZ-UHFFFAOYSA-N 441.536 1.507 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508072341 JGIJIZHGNMPOKX-RHSMWYFYSA-N 430.465 1.396 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1508133626 KZTJLFKJPWNWBT-GJZGRUSLSA-N 444.579 1.705 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1539124965 JGZRIAANKXQQHN-GJZGRUSLSA-N 449.499 1.803 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1539318721 VWKXTYBYHVZVJN-FHWLQOOXSA-N 426.565 1.580 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(CC)CC)CC1 1539431516 UXDHQFKHHGQBLR-NFBKMPQASA-N 432.613 1.804 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCN(C)C2)CC1 1539462631 KARHTONCYBECFO-PWHSHALESA-N 430.597 1.019 30 10 IDEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC)C1CC1 1540109102 WAEAFBBDWIFOHV-UHFFFAOYSA-N 446.581 1.156 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)N(C)C 1540127909 YABNMEPYHURWQO-UHFFFAOYSA-N 429.550 1.763 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCC2)CC1 1540862133 RUQPUKQAJJKYMD-UHFFFAOYSA-N 438.536 1.292 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540916387 WRHHRHDETIASJF-MRXNPFEDSA-N 428.566 1.573 30 10 IDEE COCCOCCc1ncc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[nH]1 1541114944 RIWUPLKYFVUVRC-CLCOLTQESA-N 449.533 1.680 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1Cc1cn(C2COC2)nn1 1541806191 GRFVPTRKRPTLTB-AWEZNQCLSA-N 426.456 1.946 30 10 IDEE CC[C@H](O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)nn1 1542096628 RWZLCYCIQZQAKQ-JJXNMMKVSA-N 448.549 1.894 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCNC(C)=O 1545533062 BIGBQGDNNKUTOA-OAHLLOKOSA-N 427.557 1.558 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCN1CCOCC1 1554150895 AHPYMEGFVRWHKY-UHFFFAOYSA-N 437.548 1.631 30 10 IDEE COCCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1555686315 MUHTWOPPBJMWAU-RTBURBONSA-N 427.505 1.974 30 10 IDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1555801537 KPBFJXCZLABJMY-HDICACEKSA-N 431.518 1.593 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1555817343 PBWDXUMIFBVDRX-UHFFFAOYSA-N 443.577 1.683 30 10 IDEE C[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1555940857 CSLOQEKOECOYRI-AGLAPXLDSA-N 425.493 1.017 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1555954771 YYJXCKSJIRKIGM-HNNXBMFYSA-N 426.502 1.928 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)N(CCOC)C[C@H](O)C(F)(F)F)ccc2c1=O 1559006021 SETKDTOEEYQHJS-AWEZNQCLSA-N 431.436 1.883 30 10 IDEE CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)CC1 1564832596 QXDZUMSBSZKSAR-FQEVSTJZSA-N 448.593 1.241 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)CC1 1565273788 LENSLBMSXMOLAH-UHFFFAOYSA-N 426.561 1.575 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(=O)OC)CC1 1587620385 CRRXQOMGDNIJGF-CQSZACIVSA-N 428.493 1.942 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1588054615 OKTFKMWIZMFEEK-MJGOQNOKSA-N 429.546 1.898 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCOC1 1588113777 SFTONPZAPXVUNB-HXUWFJFHSA-N 445.317 1.940 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1588139542 OUNQDIPEBBWVJJ-PXNSSMCTSA-N 440.525 1.831 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C)CC1 1588836103 FLOVZLJNKOGJPE-LJQANCHMSA-N 443.573 1.323 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2conc2COC)CC1 1588848233 AZVPKMREPQKMQM-UHFFFAOYSA-N 436.516 1.815 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C)n(C)c2=O)CC1 1588848648 JTOKGZKRXOPIOC-UHFFFAOYSA-N 430.556 1.988 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN(CC)S(C)(=O)=O 1589134348 IJTOBPKDOZZAHD-HXUWFJFHSA-N 436.582 1.178 30 10 IDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1589421090 DGRLBGPJQAYLTN-ZDUSSCGKSA-N 437.346 1.917 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1594813602 VDNQXKOYOLDECN-QZTJIDSGSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccoc1 1595497111 QFXNOEOVQKRUGR-UHFFFAOYSA-N 429.502 1.880 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1595664296 APFUJRRWLKCQSC-BGYRXZFFSA-N 441.532 1.864 30 10 IDEE CC(C)CO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1607715421 UMGLSICLBDLCHC-SZLLDUCCSA-N 444.536 1.907 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N(C)C 1617908883 WVKXMTWUPIFRCC-SFHVURJKSA-N 432.550 1.572 30 10 IDEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc21 1622634439 WSJWTXXJEDTUJQ-ZUEVXXBESA-N 437.543 1.106 30 10 IDEE N#C[C@H](CO)NC(=O)c1cc(I)cc(I)c1 1624090615 IWTGGFIBEMMUJT-SECBINFHSA-N 441.994 1.510 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)c3ccccc3C2)s1 1639177431 FMUVIWQEMSRRNM-UHFFFAOYSA-N 440.568 1.571 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc2c1OC(F)(F)O2 1640755892 DWZJFBNGWGVJJZ-GFCCVEGCSA-N 437.424 1.905 30 10 IDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1641386853 DFFVFEHDVIQJAF-SFHVURJKSA-N 444.532 1.669 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)[C@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]1C2 1643786171 YFOQETIKUJLLFS-YOEYTUCGSA-N 433.530 1.598 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1)c1cc[nH]n1 1643850679 XHUIEAFIKBXYQH-SFHVURJKSA-N 443.504 1.019 30 10 IDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c1 1644214869 QHGUKJLZOAHUOX-OAHLLOKOSA-N 430.408 1.844 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)c2ccc(Br)cn2)c1 1644689133 MMMRRBXAFRFANK-UHFFFAOYSA-N 438.303 1.921 30 10 IDEE Cn1c(=O)c2cc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)n(C)c2n(C)c1=O 1644719200 RUDWSTWJRIIEQV-UHFFFAOYSA-N 430.314 1.274 30 10 IDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@@H](C)COC 1647736722 HVQDXZJJUNMNRW-KRWDZBQOSA-N 437.562 1.245 30 10 IDEE CN(C)C[C@@]1(O)CCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1659181368 LXGNDTFTCPDNOJ-KOSHJBKYSA-N 443.592 1.745 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1660072533 OFPXVDAZKJNXLE-KXBFYZLASA-N 438.550 1.486 30 10 IDEE COc1ccc(N2C[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cc1 1679943739 AUDVNMGFBOKNQS-IIDMSEBBSA-N 443.504 1.859 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CCO2)cc1 1684706545 XDHZIGQONMEGEV-FQEVSTJZSA-N 433.468 1.893 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)c1cc[nH]n1 1689833314 HTNYXMRMEWRWRK-OAHLLOKOSA-N 429.488 1.946 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(CS(C)(=O)=O)CC1 1689944757 ZXMBBQPMNYWIMJ-UHFFFAOYSA-N 449.964 1.756 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1690124429 LCNCBZCOUJRQJW-MSOLQXFVSA-N 432.569 1.698 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1697198133 HZFPPYPWFANAOA-OAQYLSRUSA-N 444.561 1.858 30 10 IDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(C(N)=O)nc1 1705540740 LLSAYGUGHWHZLC-UHFFFAOYSA-N 437.891 1.473 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1705602826 CWUUCOHIXFHDLM-IXFSTUDKSA-N 443.548 1.663 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(O)CCN(C(C)C)CC1 1705630341 PPCBXDIKQALNCF-UHFFFAOYSA-N 446.621 1.955 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 1705820013 YVMDUFLZPKAYQQ-INIZCTEOSA-N 429.587 1.829 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705828143 DRRSZCGWPQKVEK-LJQANCHMSA-N 426.569 1.544 30 10 IDEE C=CCn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705893311 BVOXGSWUEFOLFO-PXNSSMCTSA-N 439.582 1.509 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1[C@]1(OCC)CCOC1 1705908067 HCRAORSDNWRQLP-JTSKRJEESA-N 442.520 1.285 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1706075617 QEWXEDCYUGNXNS-QRVBRYPASA-N 431.585 1.711 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1708518070 XLYFSSILJNSCCP-INIZCTEOSA-N 427.509 1.879 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](F)COC 1708733854 JJZLRSBRHCWSHT-HNNXBMFYSA-N 445.499 1.716 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1709902092 CQYJQEZLIATPIY-HXUWFJFHSA-N 437.548 1.596 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)OC 1712152641 GQSZELUOIYNFCZ-NFBKMPQASA-N 440.548 1.779 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1722418822 DWWRLRGXCJTJBO-UHFFFAOYSA-N 430.534 1.092 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CCC(OC)CC2)CC1 1722430118 XPRHPKOWHSPHIK-UHFFFAOYSA-N 428.581 1.865 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)N(C)CC)CC1 1722449468 SNAHIVJOFPEKNO-UHFFFAOYSA-N 428.562 1.375 30 10 IDEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722611309 HRVQBYXHVNMAJU-UHFFFAOYSA-N 442.915 1.295 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722691432 QFFXBOMBQNHSHD-QRQCRPRQSA-N 444.511 1.822 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1 1722692115 XIQXRMKPIZUFCI-UHFFFAOYSA-N 426.525 1.148 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CC(F)C1 1722725702 QUVCJBDCSKCWHP-UHFFFAOYSA-N 436.513 1.711 30 10 IDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1723115711 BEZAMDXUBMNKPK-JOCHJYFZSA-N 426.521 1.519 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC=CCO1 1723611832 DELRSRXQKHBVMY-SFHVURJKSA-N 436.520 1.355 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1740580808 IUPISQLFPKMMGJ-MRXNPFEDSA-N 432.550 1.685 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740617161 NCHGBTPVOWYEPY-QGZVFWFLSA-N 435.594 1.677 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1740619755 REWVHDAHDFIQPC-HNNXBMFYSA-N 444.517 1.661 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740628620 RZBJNQZGWWETLM-JXXFODFXSA-N 434.518 1.257 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cccc(Cl)c2)CC1 1740694369 HXNAOAYYFIRWNN-SFHVURJKSA-N 428.924 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)C(C)C)CC1 1740706426 XPCDHEKLXDAHKU-IBGZPJMESA-N 444.580 1.300 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnccn1 1740752556 XWDYSYPTYFACOI-INMHGKMJSA-N 435.554 1.296 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1748721280 GWTDLIWGIUIYME-UHFFFAOYSA-N 430.578 1.833 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 1748752451 XMPIAIAQEJGKDU-LJQANCHMSA-N 447.561 1.669 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1748811767 LATUUNLIGJNOOT-CQSZACIVSA-N 431.547 1.119 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1748864510 YLHIPMULTRKZEZ-FUHWJXTLSA-N 427.530 1.355 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(=O)(=O)CC 1748890034 NJLVERMVDLWQTN-UHFFFAOYSA-N 443.529 1.466 30 10 IDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1748898792 SRKTURZFAXNJNH-UHFFFAOYSA-N 449.555 1.784 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1749086085 DJUOTFMDAVUJNP-NQERJWCQSA-N 431.468 1.848 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749387366 YXKBIFYRBNWXNM-OAQYLSRUSA-N 431.541 1.587 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC 1749690491 SNFSDKSIUQVEIE-GOSISDBHSA-N 435.550 1.680 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1749717379 KFNJESDPYIZGCP-GOSISDBHSA-N 438.594 1.732 30 10 IDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1749832937 XKCCUYXRTAQNNS-UTKZUKDTSA-N 432.525 1.105 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@@H](C)CC#N)CC1=O 1749861747 FTEMELSZYZWRJL-JKSUJKDBSA-N 440.504 1.907 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1760098956 XXUVHTKCBBRQII-HZPDHXFCSA-N 427.534 1.580 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCC1(F)F 1760174010 CGDAMRKQUHGYLC-GJZGRUSLSA-N 431.509 1.506 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1760210546 SXVFAWZROMBUND-IAGOWNOFSA-N 447.536 1.958 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CCCCC1 1760247819 QIYGPFJOSVYRHF-UHFFFAOYSA-N 439.564 1.856 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCC(=O)N2CCCCCC2)CC1 1760256919 LUMSVYMQMAYQFF-FQEVSTJZSA-N 446.596 1.550 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1760260683 BSDGOBCOKABHAZ-NRFANRHFSA-N 441.624 1.666 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCS(=O)(=O)C1 1760492056 DVTNSYIYKSDGRG-NRFANRHFSA-N 446.529 1.444 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760519672 LGQUHVQQLGIHLU-UHFFFAOYSA-N 434.548 1.693 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1nccnc1C 1767598334 GQDLKLNNOAFARH-MRXNPFEDSA-N 448.531 1.888 30 10 IDEE CCOCc1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767829934 HFNKKFWAZXJOHZ-UNEBPCJRSA-N 444.536 1.594 30 10 IDEE CN(CC(C)(C)CN1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1768608416 OGRWZWKWVAPYHQ-GOSISDBHSA-N 441.536 1.537 30 10 IDEE COCCOC1(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1770075272 KQVVOEPFESBJGO-OAQYLSRUSA-N 444.511 1.918 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1772566827 HKDPQRUXURYVIX-GOSISDBHSA-N 443.596 1.371 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1772567023 TYLXJTZITPGYLK-AOMKIAJQSA-N 429.496 1.711 30 10 IDEE N#C[C@H](c1ccccc1)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)n1 1852530237 JAVXMQFNRJHQAM-LJQANCHMSA-N 439.541 1.835 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCCCN2CCOCC2)c2cnccn2)c(C)c1 1853410542 HJMMQNDPUNJFQO-UHFFFAOYSA-N 433.534 1.472 30 10 IDEE COc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1C 1858318004 ZIXMCYDXMDPAHS-INIZCTEOSA-N 435.527 1.617 30 10 IDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)c2cnccn2)cc1 1870158747 MOTRTOQOVLWROO-UHFFFAOYSA-N 433.476 1.253 30 10 IDEE N#Cc1ccnc(OCC2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)c1 1891317199 ILICRPDEOKPLTM-UHFFFAOYSA-N 440.481 1.415 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)O 1914796094 XTOPOBDEKKNHRX-FCHUYYIVSA-N 435.528 1.991 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2054371479 KMFHMEDQYYMZEU-CQSZACIVSA-N 438.388 1.852 30 10 IDEE C=C(CNC(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)B1OC(C)(C)C(C)(C)O1 2077061003 VKOJFHMFJNPNPF-NRFANRHFSA-N 440.346 1.943 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2255596513 DXDIBQWTPBEUTG-UHFFFAOYSA-N 435.330 1.159 30 10 IDEE Cc1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)oc1B1OC(C)(C)C(C)(C)O1 2255624793 IJOIATKLVOSIOR-UHFFFAOYSA-N 436.314 1.911 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)n1 2255656386 ZSVUSAQUYNRNFX-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255692710 DBFWKAOPFVUQLM-STQMWFEESA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255696634 XBNBGHXIEHVIKW-KGLIPLIRSA-N 432.330 1.951 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255830130 ATGQUFUKBYZEAD-CQSZACIVSA-N 434.346 1.801 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2255876572 DDKCOAKIFBAXLO-OAHLLOKOSA-N 437.346 1.423 30 10 IDEE C[C@@H](CCOCc1ccccc1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255950379 MKUCXDIVOVMXIN-INIZCTEOSA-N 449.382 1.993 30 10 IDEE Cn1cc(C(=O)N2CCCC23CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267125500 FVPBLYNPHKKVRH-UHFFFAOYSA-N 446.357 1.945 30 10 IDEE CC(C)(C)OC(=O)NCC12CC(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)(CO1)C2 2267566109 WSHKAZOSAVQOIH-UHFFFAOYSA-N 447.341 1.870 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267882184 OWMKWCOPRGCHJQ-NEPJUHHUSA-N 442.247 1.447 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(N(C)C(=O)OC(C)(C)C)C2)n1C 2315527326 VEQWGXZDNJLUND-UHFFFAOYSA-N 434.346 1.719 30 10 IDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315530781 BDKKQOXLAWAJJZ-UONOGXRCSA-N 434.346 1.847 30 10 IDEE CC(C)[C@@H]1C[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OCc1ccccc1 2370731324 IAPMXJNVVQIADV-IPJJNNNSSA-N 434.558 1.693 30 10 IDEE COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1N 22867541 WGYXHZCMRGZISV-UHFFFAOYSA-N 428.470 1.911 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cc1 109886755 IVXUQKJTFJPPEE-OALUTQOASA-N 448.508 1.518 30 10 IDEE CN(C)C(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433859257 NSYACMFXEKTNCD-UHFFFAOYSA-N 429.340 1.105 30 10 IDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2cc(C#N)ccn2)c1OC 435995811 OGELMKCNGUXMJB-UHFFFAOYSA-N 432.458 1.244 30 10 IDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)n[nH]1 440760842 WDDSVWXOJKOFCB-UHFFFAOYSA-N 428.496 1.796 30 10 IDEE COc1cccc(C[C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 442850045 HZPNVNHVVCQCGP-LJQANCHMSA-N 429.498 1.003 30 10 IDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cccnc2C(N)=O)CC1 460188213 VVQIPDCZSGFORR-INIZCTEOSA-N 428.290 1.966 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n1CC 462425736 GCJLJGCFSLSREK-UHFFFAOYSA-N 441.553 1.914 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 466294497 ZSUYSVHLGYCCGX-HXUWFJFHSA-N 445.589 1.839 30 10 IDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)c1ccc(Br)cc1 505201298 QDUUWXDVJXEMNH-CQSZACIVSA-N 448.302 1.985 30 10 IDEE CN1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508651089 FJWFWAAZNBWUDB-FCHUYYIVSA-N 438.576 1.865 30 10 IDEE C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508924864 ZEADTEHEZXTKJL-UHFFFAOYSA-N 443.489 1.878 30 10 IDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 522232271 LANDTRQGQCIGBB-VQTJNVASSA-N 447.495 1.579 30 10 IDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 545151079 MBJUCMRYKCBCMM-WMLDXEAASA-N 432.502 1.648 30 10 IDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 548978529 WVXRWJLNNHSNJF-UHFFFAOYSA-N 426.494 1.910 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 549644424 OZCDJTJROXYEKR-IBGZPJMESA-N 445.495 1.809 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CN(C)C(C)C)CC1 554609689 QWOSWHJEROYHKY-GOSISDBHSA-N 440.614 1.354 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 558132315 ZVMKOQRAOAABLE-UHFFFAOYSA-N 443.525 1.709 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 558964334 GFHHRKMIELMALP-PVAVHDDUSA-N 425.555 1.191 30 10 IDEE CC[C@@H](CO)N1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 559771901 KMYNQUJCHYLDEW-KRWDZBQOSA-N 426.477 1.901 30 10 IDEE Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC[C@H]2CCOC2)c1 562164205 GDPFBQRIJZQHQP-SFHVURJKSA-N 443.525 1.877 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)c(F)c1 585774217 SCLVTLAPXDWRMF-UHFFFAOYSA-N 438.459 1.330 30 10 IDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1CC 730141060 ZCLWWBKCHCBQBJ-CRAIPNDOSA-N 447.605 1.773 30 10 IDEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665136 XXFHBTDHGLXZFT-MJGOQNOKSA-N 436.603 1.594 30 10 IDEE C#CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 734137393 WDKHSSLSZSRRSR-UHFFFAOYSA-N 430.530 1.756 30 10 IDEE Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737304981 DQNXQLWIXIIWFR-NXVVXOECSA-N 435.278 1.647 30 10 IDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(-c4ccncc4)s3)nc2)CC1 753163850 ZYXQPDZQWUAAFY-UHFFFAOYSA-N 443.558 1.982 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)cc1C#N 757203716 ZKBYJZMOBRMMCP-UHFFFAOYSA-N 446.485 1.081 30 10 IDEE Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1S(=O)(=O)NCC#N 763789454 ZRLKYZZYLHVWMA-IAGOWNOFSA-N 433.486 1.355 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)cc1 766231199 BZWLSNPAZRWFOA-UHFFFAOYSA-N 440.525 1.633 30 10 IDEE Cc1cc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 767490607 NZBQZQWXLYWFFD-UHFFFAOYSA-N 436.534 1.567 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)CC1 769638735 SKLAYATYEHFXLG-UHFFFAOYSA-N 444.410 1.563 30 10 IDEE C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772896117 AYAMSONZVNHXLD-UHFFFAOYSA-N 444.582 1.113 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCSC2)cn1 790284672 FESKMZZCRBGXID-HOCLYGCPSA-N 438.623 1.656 30 10 IDEE C#CCN=c1nc(N2CCC[C@H](OC(F)F)C2)[nH]c(N2CCC[C@H](OC(F)F)C2)n1 804606474 PEAPMWKHWOOSEC-STQMWFEESA-N 432.422 1.755 30 10 IDEE C=CC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C(=O)OCC 1138145901 CTAHVYSCRVHKBF-NZSAHSFTSA-N 438.546 1.558 30 10 IDEE CC(C)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1(O)CCOCC1 1142571542 CQZDBFANRXBNMP-QGZVFWFLSA-N 428.489 1.447 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1 1152968069 XZMPSIQCUPKNAF-UHFFFAOYSA-N 427.526 1.404 30 10 IDEE N#Cc1cn(CCNC(=O)c2scc(Br)c2Br)c(=O)nc1O 1167526777 DIRDAYGNGYZNIV-UHFFFAOYSA-N 448.096 1.837 30 10 IDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(N(C)C(C)C)c(F)c2)CC1 1168902108 FYUULNGATPWBCH-UHFFFAOYSA-N 439.557 1.084 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)ccc(F)c2Br)CC1 1218457968 FNEZEODHJDIYQM-UHFFFAOYSA-N 433.303 1.514 30 10 IDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1264321731 FSBRNSMKMUWWTH-UHFFFAOYSA-N 448.430 1.315 30 10 IDEE N#Cc1ccc(Cn2cnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)n2)cc1 1265539279 CYJNIRLHKJNHDO-UHFFFAOYSA-N 426.458 1.828 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)S(=O)(=O)CC 1286272456 CACVZACNCOEREU-HNNXBMFYSA-N 433.538 1.055 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[S@@](=O)CC)CC1 1286489353 PLYFPNJPDODYRH-HKBQPEDESA-N 438.557 1.551 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286490815 SWYZNQMVCPUGJH-QZTJIDSGSA-N 428.581 1.621 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CCOC)CCC2)CC1 1286494942 WDVAGVWMFDOYAL-LJQANCHMSA-N 429.565 1.955 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CCNS(C)(=O)=O 1286561592 BZVGXTLCKSUZAW-SJLPKXTDSA-N 439.607 1.897 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)C(=O)NCC2 1286567240 LHJRARSCILQZMZ-OAHLLOKOSA-N 446.577 1.625 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCOC1 1286814153 LRNUWPVOUOIUSM-MRXNPFEDSA-N 448.549 1.389 30 10 IDEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1287143977 DKXDNDNKFRVPJI-QHCPKHFHSA-N 439.564 1.434 30 10 IDEE C=C(Cl)C[C@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1287776348 IWVGJCHYFYLVBU-KBPBESRZSA-N 431.917 1.645 30 10 IDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=NN(CCO)C(=O)CC2)c1 1291720190 ALPOXWDBPBAAMO-PTGBLXJZSA-N 449.533 1.189 30 10 IDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC[C@H]1CCCO1 1293113336 FLHOGTXIIBSUQN-ZWKOTPCHSA-N 440.552 1.803 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](C)C1 1297638355 QCNPTZQRAOTTKF-MRXNPFEDSA-N 436.383 1.790 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300268977 XRUAJHCYMKLRRU-WBVHZDCISA-N 449.490 1.867 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300316762 CWMZFTGVQRFESR-IEBWSBKVSA-N 445.589 1.954 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1300365115 PPPQCCQQVZKVCT-ZWKOTPCHSA-N 432.550 1.086 30 10 IDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300421800 RSPGGRMOKGFEIV-SFHVURJKSA-N 433.582 1.319 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@@H](O)C1 1300654981 MRTCLIQREYMCKB-FXAWDEMLSA-N 436.520 1.558 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCCC1 1300671269 GUPGXGKTRHSYMN-IBGZPJMESA-N 439.516 1.922 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(C)noc2C)CC1 1300722023 FZCMJBWXCODSLV-SFHVURJKSA-N 439.520 1.043 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CC=CCC2)CC1 1300723320 RWBPXKALDSIBKB-FQEVSTJZSA-N 426.565 1.747 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2)CC1 1300726170 MEIKDGAWBSOIAS-LJQANCHMSA-N 441.557 1.194 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(O)c1 1300915210 JRCBRJPEKZROOF-GOSISDBHSA-N 435.550 1.767 30 10 IDEE C=C(C)Cn1c(N2CCCN(CC(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1300970252 MVTKWZJKTHBQSU-HSZRJFAPSA-N 448.612 1.887 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301152166 VOUKBMXACFHJOT-SJORKVTESA-N 439.582 1.124 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1301490863 GXWMVGWOKZNRFO-UHFFFAOYSA-N 445.527 1.666 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301505799 AZYQNLBUMIFJKP-QGZVFWFLSA-N 441.467 1.580 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1 1301588536 GQAOYYCNLNQOHC-QGZVFWFLSA-N 439.582 1.125 30 10 IDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(C)=O)CC2)cn1 1301849630 CITFAMGULYLSDX-UHFFFAOYSA-N 448.531 1.767 30 10 IDEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1302470280 ONBOZLXSONZTSV-LJQANCHMSA-N 444.561 1.763 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCO[C@@H]1C 1305530646 CBYRBJBJLBTWIK-NRVIRDBHSA-N 440.552 1.708 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1315072070 LGTVVHUJAGIAAP-IRXDYDNUSA-N 430.534 1.513 30 10 IDEE COc1ccc(O[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1315517781 HEZGTNQXUXYRSX-LPHOPBHVSA-N 440.504 1.719 30 10 IDEE CS(=O)(=O)C1(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1316335627 DUMGEMSHYUTJEK-KRWDZBQOSA-N 430.534 1.350 30 10 IDEE C#CCN(C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)[C@@H]1CCS(=O)(=O)C1 1352905457 PFVRBDCTBSWEDG-CYBMUJFWSA-N 427.548 1.739 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 1358913139 GUJRIFDUMIQRNU-MSOLQXFVSA-N 439.582 1.420 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 1358956845 LKUZMLWYWAEJGR-SFHVURJKSA-N 425.518 1.355 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1358969880 ZAAJMUHYHVDOBC-CQSZACIVSA-N 437.472 1.611 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1359000400 UQRMIRQNGYRKOL-IXDOHACOSA-N 440.614 1.236 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359095527 PGJLNPJWTZNACZ-RXVVDRJESA-N 439.564 1.532 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC 1359099463 OCQHTTDUWLTPMB-KURKYZTESA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1359300102 UDRZELYNIPWDNH-IAGOWNOFSA-N 446.458 1.388 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(F)ccc2F)CC1 1359301254 VOTXLWXKKYULKO-OAHLLOKOSA-N 432.475 1.689 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N2CCOCC2)cc1 1359465533 FLERHVVTZKZASJ-QGZVFWFLSA-N 425.537 1.897 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2ccccc2Cl)s1 1441308057 IXLYKWNEMHUQLP-UHFFFAOYSA-N 441.962 1.955 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CN([C@H]3CCOC3)C2)CC1 1443659686 AEMVIPGYZQLHOW-RBUKOAKNSA-N 433.350 1.879 30 10 IDEE Cn1nccc1[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1461241995 OFIRFCMLUNQFDU-HXUWFJFHSA-N 443.529 1.293 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)c1 1467588080 OSPODFUPVQHIHK-UHFFFAOYSA-N 437.543 1.676 30 10 IDEE CN(C)C[C@]1(O)CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1471373919 NUTKMRWESGNOSU-AUSIDOKSSA-N 428.533 1.918 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)c1 1471431586 LFZGIXKMJIFJEV-UHFFFAOYSA-N 432.523 1.330 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)Br)n1 1492754079 PFPDAORVJDIPSY-GFCCVEGCSA-N 430.257 1.856 30 10 IDEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1500474242 UTVUYIGXOSZWCH-UHFFFAOYSA-N 425.537 1.501 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)cc1OC 1504204154 YGZVXLCMBWYWFD-IRXDYDNUSA-N 429.477 1.497 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507518610 VWZPTYQGTNJZGW-RDBSUJKOSA-N 428.559 1.259 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1507630138 UGYVRIJJXNQJLB-UTKZUKDTSA-N 441.513 1.468 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(F)cn2)CC1 1507721203 ZNTBKQFYKBLQOK-QFIPXVFZSA-N 428.512 1.656 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 1507731472 JKARMAOPYUCPJZ-UTKZUKDTSA-N 449.477 1.987 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1507764951 FOYVVWLCGCVDOQ-HSZRJFAPSA-N 433.516 1.709 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1507771848 FACRNLASWNGJSL-GHTZIAJQSA-N 445.545 1.722 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507790497 ACJBISIJOWNUGO-IYWMVGAKSA-N 448.612 1.943 30 10 IDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508062018 WBVPFVVPEHYSAI-UHFFFAOYSA-N 432.475 1.907 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1508335843 LVPAGMGBAONHBX-LJQANCHMSA-N 435.532 1.836 30 10 IDEE CCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)CCOCC1 1513615687 DDAZIHQQPLBJMA-KRWDZBQOSA-N 439.582 1.753 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1515971786 HHASWLINHRUPMU-RTWAWAEBSA-N 436.532 1.923 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1516040707 ALRVEMIHRMYAQC-UHFFFAOYSA-N 439.520 1.964 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1516828762 PNALYIUSOJGJJQ-KRWDZBQOSA-N 438.598 1.974 30 10 IDEE Cn1cnnc1Cn1c(N2CCC(C#N)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1517402749 UPWBDOUKRBLVOZ-IYBDPMFKSA-N 441.540 1.966 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539101891 LWSVLFHYSUBUOD-UHFFFAOYSA-N 439.520 1.913 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1539211404 LHMBDPQFBPJSME-LSDHHAIUSA-N 437.472 1.391 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1539231648 UWNPZIPQBVYUCA-CEXWTWQISA-N 449.577 1.015 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539257437 TWOBKTQFBNFTDN-UHFFFAOYSA-N 443.559 1.337 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1539278755 KTARMEDCECSUCH-UHFFFAOYSA-N 430.505 1.894 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)C 1539305123 PZRCSSNWAOJBSS-UHFFFAOYSA-N 441.557 1.726 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1noc(CC)n1 1539334247 YFAAWEDQFBKIOR-UHFFFAOYSA-N 437.529 1.921 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539902392 GHMCEVBXQVMOCJ-RDJZCZTQSA-N 440.614 1.795 30 10 IDEE C=CCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861224 IDSJTOUSLTVCOX-LVQVYYBASA-N 435.525 1.595 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1540861891 KHQYPLJKACDDHR-OAHLLOKOSA-N 446.581 1.058 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1540905621 ULAODUWYYLGZFL-UXHICEINSA-N 446.573 1.831 30 10 IDEE CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541555352 FCZFDZIPROFVJE-HNENSFHCSA-N 429.569 1.880 30 10 IDEE Cc1nsc(N2CCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)c1C#N 1544881574 FMFHPMJFVNTXOI-UHFFFAOYSA-N 425.514 1.758 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCCCCO 1554125531 PUFPXYGHNZDGGX-UHFFFAOYSA-N 426.521 1.664 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1554149867 BIQNGBKLFXCUPG-YLJYHZDGSA-N 447.586 1.556 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1555628400 HHAVYRRFTZOFPV-OAHLLOKOSA-N 427.509 1.674 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@](OC)(C(=O)OC)C1 1587664249 AIPSFCUUGKZQHM-SFHVURJKSA-N 441.278 1.889 30 10 IDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 1587766981 CPGQSDKYWOGWQN-HNNXBMFYSA-N 446.504 1.319 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587823453 QXMPYKCDPAHJQQ-QGZVFWFLSA-N 437.460 1.739 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1588083243 CSFGJXLVVZVBQE-CVEARBPZSA-N 433.509 1.568 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)c2ccccc2)CC1 1588751454 KWNVOSCNFZPAAN-XXBNENTESA-N 427.549 1.665 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCCOC)CC1 1588877114 VRSXWBXJCTVNIS-LJQANCHMSA-N 426.521 1.353 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1593691494 WRCUDRSVJFKRSH-RBUKOAKNSA-N 434.585 1.556 30 10 IDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 1594627875 XOZRTDNNSQMCQI-DLBZAZTESA-N 441.598 1.971 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594803211 OQHMZTGJXNNUPW-UHFFFAOYSA-N 441.536 1.137 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602737 PKBRBIDZWNVQFP-HTAPYJJXSA-N 443.552 1.348 30 10 IDEE CC(C)CSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1607824860 RBMRICRQROPUDN-HZPDHXFCSA-N 444.627 1.596 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3(c4ncccn4)CCOCC3)C2=O)cc1 1611097404 RTTYCANTAZWLHU-KRWDZBQOSA-N 434.456 1.375 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(N(C)C(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1616213132 ILZRFKGJECVGTK-JOCHJYFZSA-N 442.520 1.890 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1620025390 PNHCFOOZVONJRF-OALUTQOASA-N 448.568 1.376 30 10 IDEE C#CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCS(=O)(=O)C1 1626434190 FYFAZUQOQCYBKS-NHUHVJRWSA-N 435.546 1.422 30 10 IDEE CC[C@@H](CNS(C)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1635828081 XVMNCQAFLIVZSB-AWEZNQCLSA-N 429.340 1.201 30 10 IDEE CC[C@H](CNS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1636941249 OCRDAQWXWIXKPD-UARSRXHTSA-N 428.555 1.217 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 1638401604 RVHVMRYBLPIMMV-ROUUACIJSA-N 428.489 1.550 30 10 IDEE COc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 1642721082 FVHZNMMRXAEOEA-QRWLVFNGSA-N 429.498 1.834 30 10 IDEE C#CC[C@]1(C(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1648308651 HXPZDOGDMGAERM-OXQOHEQNSA-N 427.567 1.567 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1649086588 RCJCQTISVXKCHI-QGZVFWFLSA-N 428.489 1.661 30 10 IDEE C[S@](=O)[C@@H]1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1649109486 OINDDNFZJKEZSA-RHFKOARHSA-N 425.576 1.701 30 10 IDEE CO[C@]1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCSC1 1652282521 KRGYMQYZKXUNFA-IBGZPJMESA-N 425.576 1.924 30 10 IDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1664764350 HJUSDHBQOKMLTQ-BBWFWOEESA-N 428.576 1.670 30 10 IDEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H](CCCC#N)c1ccccc1)C2 1681503869 MTOCVNACUDDCST-KRWDZBQOSA-N 425.493 1.093 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CCO2)cc1 1683518272 SLEPZIWTRXZSCD-PKOBYXMFSA-N 427.482 1.876 30 10 IDEE C#CCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1689940695 AQRZNWKOQYQVTO-QPPBQGQZSA-N 444.624 1.948 30 10 IDEE C#CCCCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1689941339 NAXZJDMVQZSERS-BEFAXECRSA-N 443.470 1.848 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689993415 CXMSQBZYFJSJFJ-AZUAARDMSA-N 429.590 1.640 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689998894 ZYJVZIOBLLGIFF-WOJBJXKFSA-N 449.621 1.878 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2C[C@@H]2COCCO2)n1 1690109514 UQSYYTFTMGLSCE-OAQYLSRUSA-N 436.516 1.843 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC(C)(C)C2)CC1 1690124292 INMTUCHBSLGJMB-LJQANCHMSA-N 448.637 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690144418 YQKMAJQQZXNGSB-QGZVFWFLSA-N 442.564 1.006 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1690251734 YPNITMZGMVRPKD-FVJLSDCUSA-N 430.553 1.474 30 10 IDEE C=C(Cl)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690339203 XDAUTSWUYUFINT-UHFFFAOYSA-N 432.887 1.764 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nc(CC)ns2)CC1 1690667767 HGKGUYSNQPLLKZ-UHFFFAOYSA-N 441.565 1.326 30 10 IDEE CC(C)[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1691930815 MIYZZHDZXQBBHZ-IGGDJGDASA-N 441.536 1.665 30 10 IDEE Cc1cccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)n1 1693189518 CYECKBISIZFKLW-UHFFFAOYSA-N 441.517 1.680 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCCS2(=O)=O)CCOC1 1696021587 BRJXTBBBTQBLFJ-TXPKVOOTSA-N 425.555 1.493 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CC3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1696042085 QFVDELKAHOFAEX-WUKBZCGHSA-N 444.536 1.693 30 10 IDEE CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1696410667 AMYATKCVUCVXDB-MRXNPFEDSA-N 440.570 1.168 30 10 IDEE CN(CC1CC(F)(F)C1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1696731801 SAYAOJOTICHDDW-VLGSPTGOSA-N 446.462 1.687 30 10 IDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698282935 XKAKDLCTWUQUSM-UFVMTTLYSA-N 433.472 1.568 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@H]1CCOC1 1705488625 DPZFVQUAAIFUPB-SJORKVTESA-N 446.577 1.892 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1705569569 IAHHGKDAOXAXHD-KRWDZBQOSA-N 431.587 1.786 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2OC)CC1 1705633458 RHJBYIXSKCGMLX-QGZVFWFLSA-N 446.577 1.009 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC(=O)NC2CC2)CC1 1705648370 SEQMZUHUQIGCFC-SFHVURJKSA-N 442.564 1.197 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCCCCC2)CC1 1705649274 RJCIWUGYUCWBMG-UHFFFAOYSA-N 439.564 1.730 30 10 IDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCS(C)(=O)=O 1705841537 FRDKRXXOKOLDJM-UHFFFAOYSA-N 432.506 1.277 30 10 IDEE CCc1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1709146292 GRFVTGPPHJURHE-SFHVURJKSA-N 436.516 1.915 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1722275727 GALHLBIXQQNLNN-CABCVRRESA-N 433.534 1.440 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC1(C(N)=O)CCOCC1 1722280966 SXKUIERURZTQNQ-ZDUSSCGKSA-N 449.353 1.786 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCC[C@@H]1C 1722346789 WVMUVOMXTPBIHC-KKSFZXQISA-N 431.562 1.816 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCO[C@@H]2CCOC2)CC1 1722438755 AOYPDSHCHKINGT-HXUWFJFHSA-N 427.524 1.959 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722467700 BOLWANDRDLKJBE-SQGPQFPESA-N 439.582 1.276 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCNS(C)(=O)=O 1722498012 LCBREQQHWUHXDW-OAQYLSRUSA-N 447.561 1.797 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722513464 XCEWVMOOLYBRIJ-CABCVRRESA-N 430.475 1.895 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1722664425 ZISXQTGELWYETJ-HOTGVXAUSA-N 438.575 1.850 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1722697535 LEAUOMPRHSQGNN-UHFFFAOYSA-N 436.476 1.810 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCc2c(ccnc2O)C1 1722701532 SNUCXVKXKLLENZ-UHFFFAOYSA-N 434.500 1.865 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722703474 AJVUJJOSTSLMBD-GCJKJVERSA-N 432.569 1.295 30 10 IDEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1723050934 YXJWFPXROVINJT-QAPCUYQASA-N 426.518 1.409 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)CC1 1730419922 SYDOKHGLVHEVTD-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1)OC 1730471196 AYMFZFDTHKXQJJ-LJQANCHMSA-N 443.504 1.780 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CCO1 1730591681 DYCIMQODDGJVLK-GOSISDBHSA-N 426.477 1.511 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740583134 VNCITZBDEAYVMZ-GOSISDBHSA-N 426.546 1.996 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCSC1 1740601488 CKWXQSSZUCBFNS-LJQANCHMSA-N 434.591 1.484 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740621545 NGARROKGXRGRID-RTBURBONSA-N 444.605 1.785 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCSC1 1740663984 XFQNTQCCZKWAPS-HXUWFJFHSA-N 448.618 1.874 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](Cc2ccccc2)OC)CC1 1740698992 RWQOQIUOVUVQEB-NRFANRHFSA-N 436.560 1.413 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(C(C)=O)CC2)CC1 1740832666 FZMGLCRQHNKVOA-OAHLLOKOSA-N 438.598 1.549 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2)cc1 1740967582 KXLLQHUBLDUALS-LJQANCHMSA-N 447.561 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740986114 SMYJCYPQQXIPGL-UHFFFAOYSA-N 429.550 1.596 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1741001676 AWOHZKGQCIMJPN-MCIONIFRSA-N 428.536 1.214 30 10 IDEE CC(C)N(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1741604373 BNNIKGHGOGJLGQ-GOSISDBHSA-N 446.577 1.808 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOC[C@H]1CCOC1 1744751248 NCTYXZJYKNJATP-UYAOXDASSA-N 438.532 1.975 30 10 IDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)S(C)(=O)=O 1746309298 YZANOCQDYDAPHO-APWZRJJASA-N 446.577 1.695 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1748647254 LMNAQCDBSCXWSX-OPAMFIHVSA-N 439.541 1.809 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnnn1CC1CC1 1748684606 MVRHPXBGIFMUBG-ZDUSSCGKSA-N 425.522 1.172 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748822164 ZCMNRVOZDGFIOW-ROUUACIJSA-N 447.605 1.552 30 10 IDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1749022743 LSHDHGGVQOAOFD-INIZCTEOSA-N 425.566 1.921 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749409279 SYDQCZIVBSLDHC-UHFFFAOYSA-N 426.525 1.102 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749672050 OLQCKWAMYBTBDN-GJZGRUSLSA-N 437.541 1.568 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)c1ccccc1 1760126989 NXXNLCTUOXUJQM-AOIWGVFYSA-N 432.546 1.934 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1760175617 NRDAYNCUWCQJFD-KRWDZBQOSA-N 444.561 1.828 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1760184388 WPEYIONBJBVIDK-IKGGRYGDSA-N 442.607 1.243 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCOCC1 1760196852 ZETQDYVYDWFUIS-HNNXBMFYSA-N 431.338 1.829 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760198123 XXKYCZWBQZLEJY-XDOYNYLZSA-N 425.452 1.416 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCSC1 1760251385 ZCCFLFUVJSDGOV-OAQYLSRUSA-N 426.546 1.471 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=C)c2ccccc2)CC1 1760260217 WYZXFXLXMOBEAS-HXUWFJFHSA-N 425.558 1.649 30 10 IDEE C#CCSCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1760284658 PMVMIEYMWREPGR-LJQANCHMSA-N 443.573 1.792 30 10 IDEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760306808 KIVMOFRRMRSEAF-UHFFFAOYSA-N 441.374 1.339 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760352634 UKZDMINJJKRZPP-IAGOWNOFSA-N 430.509 1.758 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760353893 IYNACYBBWZHMJG-QGZVFWFLSA-N 434.928 1.928 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760449591 OJMQYJKRYYMONR-UXHICEINSA-N 445.612 1.427 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1760478996 BDFJIMFMFJSIDB-SFHVURJKSA-N 442.545 1.728 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760532645 ASARFGMPAWQYED-QGZVFWFLSA-N 440.529 1.972 30 10 IDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCOCC1 1761395628 DAPTUBALQSWISP-LPHOPBHVSA-N 444.561 1.161 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CCO1 1762471754 CMHJUNKWLYGZQR-FQEVSTJZSA-N 432.550 1.713 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1767634946 QNEFYIIEQRFSRR-AOMKIAJQSA-N 440.504 1.463 30 10 IDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)CC2CC2)CCO1 1770750990 BTDHRJWYTXEAGP-IBGZPJMESA-N 429.546 1.617 30 10 IDEE COCCO[C@H](C)c1nnc(N2C[C@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1771176352 QBBMJOHJGBLZER-FFXWMFAASA-N 444.536 1.621 30 10 IDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCN(C)C1=O 1848937096 VXSOGDDDNMCDBE-IAGOWNOFSA-N 443.928 1.878 30 10 IDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CO2)nc1 1852086930 FQJYKDOIFHNHIX-DOTOQJQBSA-N 436.424 1.441 30 10 IDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)cc2)CC1 1852468753 QABGQVBBORZDAJ-HXUWFJFHSA-N 449.467 1.235 30 10 IDEE C=C(C)CN1CCN(C(=O)CCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C(=O)[C@@H]1C 1854648831 QJEFUVLJVMFLNP-ZWKOTPCHSA-N 436.578 1.428 30 10 IDEE CN(C[C@@H]1CC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1856235668 NMMBZGPSORYSIH-AAEUAGOBSA-N 428.390 1.134 30 10 IDEE N#CC1CCN([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)CC1 1857294669 YHPYFEZGMNIMFU-LJQANCHMSA-N 430.530 1.448 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n2ccccc12 1858222574 DZHXUWWVNVVSEO-UHFFFAOYSA-N 447.495 1.937 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858337310 ZEPUJJHYMGRLNB-INIZCTEOSA-N 435.527 1.617 30 10 IDEE COc1cccc(/C=C/C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1OC 1860636214 QBIRIXVVMYFOIC-SOFGYWHQSA-N 426.429 1.938 30 10 IDEE CCCCCCCCC(=O)Nc1nc(N(CCO)CCO)nn1[C@@H]1CCS(=O)(=O)C1 1869958511 CCZPYTOBWFWEEP-MRXNPFEDSA-N 445.586 1.118 30 10 IDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(C)C)nn1[C@@H]1CCS(=O)(=O)C1 1869964527 PABDNDWUQJYXDX-CQSZACIVSA-N 435.506 1.286 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cn(CC4CCC4)nn3)CC2)CC1 1890112177 XMVGHBWEOXNQRL-UHFFFAOYSA-N 442.608 1.729 30 10 IDEE N#Cc1nccnc1OCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1891738897 XJARNKSEYNYUCF-UHFFFAOYSA-N 430.486 1.989 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C[C@]2(O)COCCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1999431002 QQZSTIMKGMTZTP-IIBYNOLFSA-N 440.541 1.430 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2073249206 YWACZPNEHUWWQX-KRWDZBQOSA-N 434.342 1.878 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2243407286 PBKHQIYJOCYMGK-LBPRGKRZSA-N 426.344 1.663 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243673982 CXEAVSZXAQVTCR-NSHDSACASA-N 427.332 1.657 30 10 IDEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243679478 YMJSXHVKHLEDJZ-LLVKDONJSA-N 427.332 1.903 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2245014751 WZJSLMWHYSLLNU-HNNXBMFYSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247880747 KRSZUYWUXDBQCJ-HZPDHXFCSA-N 438.355 1.930 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 2255529199 IJUMHLKYWSMWHJ-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2255644397 IVFNLCUTOIGKJZ-ASSNKEHSSA-N 432.330 1.459 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2255655952 UBVORVODCVPCIE-CQSZACIVSA-N 434.346 1.849 30 10 IDEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2255681412 YUCOPVQXNGNWHY-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255819776 GQMBRQIPGDEPPZ-KRWDZBQOSA-N 429.326 1.369 30 10 IDEE Cn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255829336 NJHGABCYAQEPJE-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE Cc1c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255829913 XHDIUFUOBNLWTR-UHFFFAOYSA-N 436.362 1.967 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2255831711 ABUAWBXCHPSHQF-HIFRSBDPSA-N 434.346 1.845 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C1COC1 2256641120 YFFUNZUVRDOISU-INIZCTEOSA-N 433.314 1.859 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@@H]1NC(=O)C(F)(F)F 2267126439 AWIRGCSAHSNJSY-AAEUAGOBSA-N 444.263 1.248 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267269816 HLYSEVOEUJLJKA-NRFANRHFSA-N 448.329 1.189 30 10 IDEE Cn1ncc(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1B1OC(C)(C)C(C)(C)O1 2267507534 PXFWOIIHKBTKRC-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cn1cc(C(=O)N[C@@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267514786 FBAZMPZFBCPJIV-RCDICMHDSA-N 446.357 1.849 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)n1 2267578854 LCUYMUGPXCPGDM-ROUUACIJSA-N 437.353 1.461 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N=S3(=O)CCNCC3)cc2Cl)OC1(C)C 2282828509 PIVAXHYPPQCWCI-UHFFFAOYSA-N 440.805 1.461 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2337204594 NBCLQCTXBFMSMM-GASCZTMLSA-N 446.357 1.943 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1cccc2ccccc12 72443917 YYFBSQGBRFKMER-MSOLQXFVSA-N 442.479 1.849 30 10 IDEE Cn1cc(C[C@@H](O)C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cn1 468800259 CQGKQJRELIPQJP-ZWKOTPCHSA-N 432.322 1.495 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C)c2=O)nc1 474325935 GNJFMGUTMKKDRU-UHFFFAOYSA-N 446.532 1.273 30 10 IDEE Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 477316561 UQTAVRSYQYOTSH-SFHVURJKSA-N 443.544 1.812 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 484543350 PPQJIZPKBRXEJN-HNNXBMFYSA-N 447.607 1.229 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)NC)c2Br)CC1 494440527 QDEKMVMJHPRSSA-UHFFFAOYSA-N 438.326 1.260 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 498380843 PJLASTGUUZCNFG-INIZCTEOSA-N 432.521 1.955 30 10 IDEE CN(C)C(=O)CN(CC(=O)Nc1ccc(CC#N)cc1)CC(=O)Nc1ccc(CC#N)cc1 507343118 ZQDCVJRMKZQABV-UHFFFAOYSA-N 446.511 1.786 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 512596828 HEOUNXNKOZISFQ-OAHLLOKOSA-N 449.349 1.248 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C[C@@H]1CCCO1 534402946 MKLLISPVMRBBON-KRWDZBQOSA-N 447.507 1.642 30 10 IDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 542015622 OPUQASIKSSIIFZ-LTDCPUDJSA-N 439.859 1.888 30 10 IDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(c2cccc(C#N)n2)CC1 544882534 ZNZNKKZKQSMYDY-MRXNPFEDSA-N 442.545 1.353 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CC1 546680337 BUJWPZXOAQQENL-UHFFFAOYSA-N 434.500 1.457 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1Cc1ccccc1 547947916 XIWJJTDNYDUQPP-UHFFFAOYSA-N 427.888 2.000 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCCO2)CC1 549476353 OYFDTXMZAALLOU-OAQYLSRUSA-N 438.576 1.781 30 10 IDEE Cc1ccn2cc(CNC(=O)C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)nc2c1 556655184 DHKYMSBSBLMWEB-UHFFFAOYSA-N 430.512 1.865 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)c(F)c1 585704657 KFPPQKMTGNBGLD-UHFFFAOYSA-N 429.452 1.075 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ncn(CC(=O)N4CCCCCC4)n3)cc2C1=O 588382250 VHBQJFQVXJFILY-UHFFFAOYSA-N 436.472 1.715 30 10 IDEE Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 609739145 CBVYIGRAIKOTGF-KRWDZBQOSA-N 443.544 1.812 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C[C@@H]1CCCO1 609739247 NNXIFGSXPQMSMW-INIZCTEOSA-N 429.517 1.566 30 10 IDEE CCN(CCc1nccs1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 611093657 UYSFAKIXIZZWJT-UHFFFAOYSA-N 447.586 1.412 30 10 IDEE CC(C)CN(C(=O)COC(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCS(=O)(=O)C1 729767395 HDZBFKSBVWHAGW-QGZVFWFLSA-N 431.514 1.993 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1CCC2(CC1)NC(=O)NC2=O 732345559 FOADQVWMPFIEAF-LJHBPXGCSA-N 442.472 1.642 30 10 IDEE Cc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n(C2CCOCC2)n1 771783397 DSEIZCUFOLHXLU-CYBMUJFWSA-N 431.518 1.999 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cc[nH]n1 772147106 ZFKXMQHAOGJRSE-AWEZNQCLSA-N 427.461 1.698 30 10 IDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1)[C@@H]1CCS(=O)(=O)C1 774166195 YHTJWSFIVIZKGT-CQSZACIVSA-N 447.604 1.111 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C(C)=O)c2)CC1 775686957 QWHLPGHHHZPVGH-UHFFFAOYSA-N 444.351 1.260 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 780207283 XALRDSGSXODELJ-HAVVHWLPSA-N 431.518 1.590 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780215819 WDMMJVQFOXGLIA-HXUWFJFHSA-N 445.497 1.804 30 10 IDEE CCc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(Br)cnn3C)c2=O)cc1 782622974 CYZZPVWJIDZJMK-UHFFFAOYSA-N 440.326 1.984 30 10 IDEE C#CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2c(Br)cnn2C)c1=O 782791677 AEBIIIFXFOZGRU-UHFFFAOYSA-N 447.358 1.547 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1ccc2c(c1)OCO2 790360604 KSILMRLJZKYSGQ-UHFFFAOYSA-N 439.456 1.840 30 10 IDEE CS(=O)(=O)c1ccc(CNC(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 803921861 BWMHEZCILAPENP-UHFFFAOYSA-N 430.457 1.992 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 804457268 RDZZVYMNDYHHQT-ROUUACIJSA-N 425.510 1.438 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCN(c4ncccn4)CC3)n2C)n1 809866603 VVWFTEPWOWFIDS-UHFFFAOYSA-N 435.536 1.472 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 812182232 FVDQRFWBKVYMLD-KRWDZBQOSA-N 433.534 1.904 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(F)cc1 813563053 PIPKJJBHWHQPOV-BBRMVZONSA-N 437.541 1.350 30 10 IDEE COC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1138089221 DWTMZBHDHZMMIE-GOSISDBHSA-N 431.470 1.241 30 10 IDEE N#Cc1cccc(ONC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 1151426184 VCKJHCBLZPIYMV-UHFFFAOYSA-N 442.497 1.282 30 10 IDEE C#CCOc1ccc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 1158448018 OQCVOISNLMKCIZ-OAQYLSRUSA-N 432.480 1.865 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 1163990272 SFKZFTUILDOIHH-UHFFFAOYSA-N 443.354 1.234 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@@H](O)CC4(CCOCC4)C3)C2=O)cc1 1175501901 UZOOLHFSFHXUEO-ZWKOTPCHSA-N 426.473 1.153 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1183450598 FETGDIZKXYURJS-LBPRGKRZSA-N 447.435 1.678 30 10 IDEE N#C[C@@H]1CN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CCN1Cc1ccccc1 1265115356 IJUHQFAKINOWBT-PKOBYXMFSA-N 444.582 1.824 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(N(C)C)CCSC1 1286281872 JKRKOWCDIXBETF-KKSFZXQISA-N 437.577 1.816 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1286343553 WBXBTRAXDLZCKY-JTSKRJEESA-N 443.573 1.980 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1286387466 QZVFDKHKULRPQN-HNNXBMFYSA-N 443.508 1.380 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286393551 LKWDGMGLJJHDQJ-OKYOBFRVSA-N 436.578 1.471 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1286493964 JRUBBZIGJHVESG-TZIWHRDSSA-N 436.560 1.781 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 1286611047 FWBKMFAJBDZDDP-UHFFFAOYSA-N 426.525 1.110 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286789533 FIXBACSBAGTARK-AWEZNQCLSA-N 444.458 1.250 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 1286790458 FJVQTJUODTZHKI-MRXNPFEDSA-N 432.525 1.655 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1286791265 XCSZYZQATFBSML-QGZVFWFLSA-N 426.521 1.443 30 10 IDEE CC[C@H](O)Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nn1 1293136042 BSJSWXGWISJESY-WMZOPIPTSA-N 447.337 1.834 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)Cc2ccccc21 1300241632 ZXZSGXPSRGPTPR-OAHLLOKOSA-N 425.445 1.303 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 1300408972 DQSSKGJUXYGQBT-AEFFLSMTSA-N 433.534 1.611 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1300422174 YLAQGKMVNHTYNK-UHFFFAOYSA-N 449.559 1.575 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300501685 NAXOXXZCSIZRRO-QZTJIDSGSA-N 449.602 1.686 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1300539087 XUTXEGWWMOAMHT-GBESFXJTSA-N 447.605 1.141 30 10 IDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1300653358 KSKAQKXCLZNJKA-KNQAVFIVSA-N 448.564 1.948 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 1300709896 KFUZTVWGCBWVIM-JOCHJYFZSA-N 429.496 1.557 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)nc2)CC1 1300719424 AJFMGHJGHWEKFN-UHFFFAOYSA-N 434.504 1.096 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300885971 UOVJZAJKIDZCHI-DYXWJJEUSA-N 446.596 1.711 30 10 IDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1300989813 GUMZYEPFXPQHPA-QGZVFWFLSA-N 443.570 1.514 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1301499261 AORLWSIHJQMLGZ-AWEZNQCLSA-N 448.465 1.497 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1301609951 PYMLCPCOKOMRHK-OAHLLOKOSA-N 448.549 1.266 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@H](CO)O1 1301774366 TUTALNLSCRGPRV-VQTJNVASSA-N 449.515 1.800 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1Cc1ccc(C#N)o1 1301979341 FESUCGBCWCREQT-ZTFGCOKTSA-N 428.493 1.762 30 10 IDEE COCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302232257 FSAJGMHBADELKP-UHFFFAOYSA-N 448.531 1.520 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3scc(Br)c3c2)CC1 1302923645 BLWCVJUPILXXQV-UHFFFAOYSA-N 442.360 1.889 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1312896648 MDMFHHVDUAFGJA-RDJZCZTQSA-N 438.506 1.510 30 10 IDEE COc1cc(C#N)ccc1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1354079079 GRLXZEQHBCUKAH-UHFFFAOYSA-N 431.470 1.849 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)c([N+](=O)[O-])c1 1354908602 SZNJTWWHJQPHPX-UHFFFAOYSA-N 432.433 1.971 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)F)c1 1358902450 OTCKPQWTGDTMJG-INIZCTEOSA-N 446.458 1.915 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C1CC1)N(C)C 1359003008 VDOSRVZKZJYZOH-HXUWFJFHSA-N 444.605 1.995 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)N(C)C)C1 1359317111 CEIXWNRWKFUHKB-MRXNPFEDSA-N 449.533 1.347 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@H]1COCCO1 1359717914 LSXFXOVJUIFVGL-IAGOWNOFSA-N 426.525 1.584 30 10 IDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)cnn1C 1360959647 KMOZMUQWEPRMPD-UHFFFAOYSA-N 427.534 1.778 30 10 IDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](N2CCOCC2)C(F)(F)F)o1 1361227019 FACZKYKZCDRPFI-GDBMZVCRSA-N 440.426 1.838 30 10 IDEE CN1CCC(C#N)(NC(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1443362987 OCBIISZGUOZUCA-UHFFFAOYSA-N 428.537 1.856 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)c(C#N)c2N)cc1 1445156213 MGJWJNAXOHSKCU-HOTGVXAUSA-N 448.449 1.998 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC([C@@H](O)c3ncc[nH]3)CC2)CC1 1459957809 ACJFKXKTIRAREW-YLJYHZDGSA-N 428.562 1.626 30 10 IDEE COCCOc1ccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn1 1468563200 JTVUXRNODCPODH-JXORXQGFSA-N 445.520 1.905 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)ccc21 1471085011 YSSUVWKARYFPHF-DEOSSOPVSA-N 431.496 1.804 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(n3cc(Br)cn3)CC2)cc1 1471751676 UQZFVQLXMFLFTG-UHFFFAOYSA-N 437.319 1.476 30 10 IDEE CC[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1497523443 BNIYRFGQZGUBQQ-VUANCPLDSA-N 429.525 1.569 30 10 IDEE CCN1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1502352701 LLDGQZKFTSDXOX-OAQYLSRUSA-N 438.580 1.410 30 10 IDEE CCOCCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1503188394 CRECWJFFBWECCG-ZZEZOPTASA-N 425.493 1.648 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503363487 JJXDATGIGSYWCN-UHFFFAOYSA-N 435.492 1.082 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CC(C)C)c1C 1505083262 XGHDFEARJAAODZ-IHPCNDPISA-N 443.552 1.940 30 10 IDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1507560410 HZKPISBSDAQIPD-UHFFFAOYSA-N 428.493 1.280 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507631576 QSZOVTLTGUMGCG-JKSUJKDBSA-N 432.575 1.648 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507635597 UEBBMSQYPPGPMF-MRXNPFEDSA-N 439.488 1.172 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N(C)C 1507653646 PGHZRRMJYOQBJR-IRXDYDNUSA-N 431.587 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)C 1507659696 CTXONHHQVBZBCW-IPMKNSEASA-N 435.594 1.802 30 10 IDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1507677859 MZALUSLLXQZISY-INIZCTEOSA-N 449.964 1.756 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NC(C)C)CC1 1507720112 HCOGTURHIVUZBN-UHFFFAOYSA-N 445.365 1.987 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)CN2CCOCC2)CC1 1507720938 KDJOVQYXHYYLJZ-SFHVURJKSA-N 443.983 1.717 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507724339 CHYLMXFZAKYWFA-QGZVFWFLSA-N 446.552 1.263 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(N(C)C)CCOCC2)CC1 1507734159 SJEHIUHEMGVPNZ-SFHVURJKSA-N 430.597 1.868 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1507799210 IRNBFGKRADFEIK-MJGOQNOKSA-N 448.593 1.737 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507936290 AMCWNGCDCUSJCL-ICSRJNTNSA-N 443.596 1.469 30 10 IDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C(N)=O)CCCC1 1507978082 FAENCSFLTBNVHF-UHFFFAOYSA-N 431.566 1.906 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCS(=O)CC1 1508144587 VFFJPAXCAUXQID-UHFFFAOYSA-N 447.586 1.451 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1510304356 VIYNPFLQNBOKKW-INIZCTEOSA-N 441.561 1.924 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1517238618 CBXWPBDSRNDJFV-ZJYNUGOYSA-N 425.493 1.283 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@H]2COCCO2)CCO1 1521128532 DMEPWZRRDKEWQX-ZIAGYGMSSA-N 434.294 1.852 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1539112426 PZMBNQMXANVXOA-UHFFFAOYSA-N 435.536 1.997 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCOC[C@H]1OC 1539153717 JDCOUWJKMFVPJS-DLBZAZTESA-N 446.577 1.668 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539161152 BATNINRPEYJQGF-HDICACEKSA-N 449.563 1.878 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1539239666 OALFLTZYOAQLOQ-ROUUACIJSA-N 428.562 1.486 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1539285750 OGLJEBZOZCILTE-UHFFFAOYSA-N 436.541 1.414 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1539516953 GLUKBPQVEVGXSY-GOSISDBHSA-N 445.614 1.873 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1539803752 MWPLUWUXXITQAS-SNPRPXQTSA-N 433.962 1.225 30 10 IDEE C=CCC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539921518 YVLPCCFORWZFBV-KRWDZBQOSA-N 440.523 1.757 30 10 IDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)cc1 1540068235 JARYCFGSRUAENZ-MOPGFXCFSA-N 426.477 1.655 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 1540868969 XWTRBGQVWKYTSF-QGZVFWFLSA-N 437.548 1.886 30 10 IDEE CN(C)C(=O)Cn1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1542827201 WOLKWYGSPDKSBV-UHFFFAOYSA-N 431.294 1.680 30 10 IDEE COCC(=O)N1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)CC1 1543041753 MEHUSNZKEHEFKD-FQEVSTJZSA-N 442.516 1.710 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC=C(C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1547897657 AUCBLRBAWYDUFW-WUKBZCGHSA-N 442.520 1.613 30 10 IDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H](C)N(CC)CC)CCOC1 1547916357 WVWZICBJFSEGIF-RFWXGWTQSA-N 445.612 1.837 30 10 IDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cc[nH]n2)CCO1 1555993022 GRZWQIONGYCTGY-CYBMUJFWSA-N 442.430 1.029 30 10 IDEE C[C@@H](CC(=O)NCCCONC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1558597736 IXGQSGAQESNVMV-ZDUSSCGKSA-N 440.522 1.466 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)NCC(=O)NCC#N)c3ccccc3O2)C1 1564721229 PVQINYLBFZCGCR-ZHRRBRCNSA-N 443.504 1.829 30 10 IDEE C#CC[C@@H]1CCCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1565335047 OARJYVSSXGYQIH-IAGOWNOFSA-N 427.567 1.856 30 10 IDEE N#Cc1ccc([C@@H]2CN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CCO2)cc1 1565372951 VQLZAMLPYGYLIO-HNNXBMFYSA-N 437.378 1.666 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)CCCCNC(=O)OCc2ccccc2)CC1 1565590308 WLGYHBOSZCDJNI-UHFFFAOYSA-N 428.533 1.367 30 10 IDEE COc1ccc([C@H](CO)N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1566969512 LGFZVMKHCPIFML-UXHICEINSA-N 436.468 1.964 30 10 IDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1583847591 AIFWUGBWIUFXKJ-IBGZPJMESA-N 442.545 1.411 30 10 IDEE N#C[C@@]1(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCOC1 1583898288 MGWWODVOLRVTTG-FQEVSTJZSA-N 435.502 1.001 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCC[C@H]12 1583901323 OPXYYXOGSZCNHX-HRAATJIYSA-N 448.545 1.773 30 10 IDEE C#CCONC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)CC 1584287626 VUWBPNLPTONAIV-LRDDRELGSA-N 429.926 1.416 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC=C 1587631380 CDFMEDWDFYENNP-KRWDZBQOSA-N 443.577 1.511 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1587638833 HNAWOZWZJUDCJB-WCJKSRRJSA-N 446.552 1.523 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCS(=O)(=O)C1 1587931710 ATOKREORYILEBG-OAHLLOKOSA-N 436.559 1.243 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2ncccc2c1 1587990489 YIWDGLHGABTYRC-IBGZPJMESA-N 440.529 1.277 30 10 IDEE C#CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588070354 ZIHSCVBROGDYQB-IAGOWNOFSA-N 449.552 1.573 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1589110230 RGEFBJUUGTUFGI-LAUBAEHRSA-N 433.578 1.541 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1594448381 DMKJESJFZUIHQE-UHFFFAOYSA-N 426.587 1.490 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1595497245 UYVGHWATESPYFX-CYBMUJFWSA-N 434.447 1.516 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)CN(C)C2=O)C1 1595673504 HUHJUMLZWIAXIJ-VFNWGFHPSA-N 425.493 1.185 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)C1 1595699968 JOUZTISKKUJWNP-AWEZNQCLSA-N 435.431 1.836 30 10 IDEE Cn1nc(Br)c2c(=O)n(CC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)cnc21 1597704873 HUCMYJXPWITTAH-CYBMUJFWSA-N 427.262 1.048 30 10 IDEE CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611165032 KQHIOBJXMSLOKJ-FVJLSDCUSA-N 433.530 1.724 30 10 IDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613434784 ULRXKPNDSJVWJP-GJZGRUSLSA-N 439.520 1.622 30 10 IDEE CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1614303578 LLCANLBULAGFTF-PBHICJAKSA-N 425.493 1.627 30 10 IDEE COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1619594988 ZGOFKWNXHIQUCS-QRVBRYPASA-N 426.521 1.821 30 10 IDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1619877324 BWNRVYUHZUGJTI-UXHICEINSA-N 437.548 1.642 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 1622837731 ASSXVJNTMBKJQY-UHFFFAOYSA-N 428.898 1.118 30 10 IDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1627232070 KZQFHONGYYPSIC-UXHICEINSA-N 445.479 1.463 30 10 IDEE Cc1nc(CN2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)n[nH]1 1629835694 LBHOQNBAVIQEFY-PSCUFVCCSA-N 443.552 1.544 30 10 IDEE N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1633161916 SWCUJFLYSQZZQO-XMMPIXPASA-N 432.480 1.318 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1C(C)(C)[C@@H]2NC(=O)CCn1cc(C#N)c(O)nc1=O 1634836975 GUJJWDMXERVQJK-OIISXLGYSA-N 445.520 1.751 30 10 IDEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1635378016 AMONZZWKGPXXPJ-QGZVFWFLSA-N 443.483 1.864 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1636571848 VVIAYKUHFCENCX-OALUTQOASA-N 437.566 1.188 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1640219071 OETCNMZTNYDJPM-FQEVSTJZSA-N 440.525 1.776 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1641764938 WZISMHLWBJHEGI-JTSKRJEESA-N 439.553 1.712 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H](O)CC2(CCOCC2)C1 1644275619 WRYZZOQNSBTVML-KRWDZBQOSA-N 449.573 1.676 30 10 IDEE CNC(=O)CN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 1644582438 HWESMPPSPNINSG-UHFFFAOYSA-N 440.523 1.797 30 10 IDEE C#CCN1CCN(C(=O)CN2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 1660202683 JRNHCSJTBXMJRW-HZPDHXFCSA-N 432.487 1.541 30 10 IDEE C#CCN(C(=O)Nc1scc(C(=O)OCC)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1672440469 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OBKFZCSQIQFHTD-UHFFFAOYSA-N 431.562 1.969 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCOCC2)c1 1690099698 ICUHMEALAGXKMI-UHFFFAOYSA-N 449.559 1.645 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)[C@@H]1CC 1690218468 HPUURPQHSJOLKW-ZDUSSCGKSA-N 427.347 1.820 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690246107 QTTMNVBDGUGFHB-ZVDOUQERSA-N 446.596 1.410 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1690306043 NFGCHKVIDYEGGF-UHFFFAOYSA-N 434.928 1.881 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1690328246 HWIROUILXWIFRE-STQMWFEESA-N 446.986 1.984 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1690345792 CZKMVJSPZRBXQT-NSHDSACASA-N 431.868 1.752 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1690432425 DGRQNNMDBRIFIK-OAHLLOKOSA-N 425.555 1.671 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)c3nc(CC)no3)CC2)nnc1C(C)(C)C 1690678540 ZNDABYIGOTWQAY-OAHLLOKOSA-N 430.557 1.706 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690724846 XGBRJJFOLYVAIA-RBUKOAKNSA-N 437.610 1.838 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3CCC(C)(C)O)CC2)c1C#N 1693405893 GSZXVNPCUPOZTJ-KRWDZBQOSA-N 442.568 1.573 30 10 IDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1695429529 BIUZZUZBPZKSPF-MOPGFXCFSA-N 435.532 1.980 30 10 IDEE CCN(C)C(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695501903 BLAVWSGMELKXAU-MRXNPFEDSA-N 437.552 1.791 30 10 IDEE CNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1696957972 OATYGQCVOXAHOB-CZIZESTLSA-N 443.552 1.356 30 10 IDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1697115556 WCNDHCIXEIOZJL-PEBXRYMYSA-N 437.504 1.666 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1698223216 KSGJLYXRZYNHFM-FQEVSTJZSA-N 437.504 1.791 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1705568834 VUVWAXYJDRBWFV-OAHLLOKOSA-N 435.575 1.696 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(OC)CCOC2)CC1 1705636655 SMQJTEFVAZTNHS-QHCPKHFHSA-N 441.532 1.523 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCCN2CCOCC2)CC1 1705641399 CVJQJSITKNJMLJ-UHFFFAOYSA-N 436.604 1.931 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2nccs2)CC1 1705643429 FTGAETHVYSEXJZ-HKUYNNGSSA-N 430.578 1.847 30 10 IDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1705849101 CPAQMIHYRJGJJX-CZIZESTLSA-N 448.487 1.607 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705897628 QATUSNOFZABERY-RTBURBONSA-N 437.548 1.678 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 1705902569 HLNUWEKHIWDDLL-MOPGFXCFSA-N 443.573 1.551 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1705907849 ZPKASNDHOAEPTC-KRWDZBQOSA-N 439.524 1.517 30 10 IDEE CC(C)N1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1706574651 LJTGTXGZLXUADF-XUTLUUPISA-N 438.536 1.340 30 10 IDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(N2CCOCC2)CCSC1 1712663871 KLHXNVYLYTVSQX-NRFANRHFSA-N 444.561 1.934 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1722352403 ONGSPUQYUUIGOP-RDTXWAMCSA-N 442.463 1.700 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)C(C)C)CC1 1722436521 AOHVKVGZUNDHBQ-NZQKXSOJSA-N 425.533 1.953 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1722694384 UHTRMABCCRESLP-UHFFFAOYSA-N 443.552 1.139 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@]2(CCOC2)C1 1722727086 IFPXHCJOSPLPJF-FQEVSTJZSA-N 433.534 1.245 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1722869921 RJPYOHFZGXRYSZ-YESZJQIVSA-N 446.581 1.179 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1724018457 SALXFSXSINDCFY-DLBZAZTESA-N 428.468 1.640 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(CC(C)C)c2C)CCOC1 1728817596 MFQKVWPEJANELW-SIKLNZKXSA-N 443.552 1.868 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1730420799 CHWSPXNRMWIJBZ-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H](C)C1 1730763118 CNHQHWXWRDSION-YESZJQIVSA-N 425.555 1.362 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC#C)CC1 1740592562 ZMHPIRJARMELDV-IBGZPJMESA-N 442.564 1.755 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1740616620 DHPPQFIBCCBFMW-CVEARBPZSA-N 447.517 1.142 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740627211 OSVSQFAHYAIEEX-RBUKOAKNSA-N 436.578 1.963 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2oc(CC)nc2C)CC1 1740692081 DPBNLXKZECJIKO-QFIPXVFZSA-N 428.537 1.593 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCNS(C)(=O)=O)CC1 1740835954 KTSGJOQPIMBDKT-LJQANCHMSA-N 427.571 1.272 30 10 IDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740900726 XIRBWFXCJCWUQX-CRAIPNDOSA-N 433.534 1.694 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1740966654 VJAWYHXUVYKBSN-OKZBNKHCSA-N 432.569 1.953 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)C)C1 1740981188 VFDFRYOLVBLWIX-HNNXBMFYSA-N 430.509 1.702 30 10 IDEE C[C@@]1(N2CCOCC2)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1742015111 DLLPBLGFNOQQQN-HSZRJFAPSA-N 440.548 1.517 30 10 IDEE CCOCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1747008644 AJNKKRVGBDYXOM-CRAIPNDOSA-N 448.549 1.202 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@H]1C 1747405386 BMFNMYCQPRBIPN-YWZLYKJASA-N 433.534 1.228 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CCO1 1748223555 QXMULRGFSFGXSQ-RBUKOAKNSA-N 438.488 1.025 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748649504 OTCZBNPYYBGTSN-HOTGVXAUSA-N 447.561 1.702 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N1CCOCC1 1748791558 VTAOOSCADWVCNL-MOPGFXCFSA-N 437.610 1.387 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748804736 KKXMGGUXIRWYAM-MRXNPFEDSA-N 439.582 1.895 30 10 IDEE C#CCN(c1nnc(COc2ccc(C)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1748824106 IWGUMLCBCNZMDQ-SFHVURJKSA-N 432.546 1.829 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1748896856 MHAHCBGDOWTHJX-UHFFFAOYSA-N 448.552 1.617 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)n1 1748958659 FCAQGIHMGAQXJI-UHFFFAOYSA-N 436.520 1.045 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCN(C)C2)CC1 1748977832 KGWYULIWSGSFMI-MBSDFSHPSA-N 442.539 1.379 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749409735 ZMLHMDPVROCTQO-MRXNPFEDSA-N 426.587 1.490 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749658168 HIKMWXVXVZLGKN-UHFFFAOYSA-N 443.515 1.544 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H]1C 1749873359 FSLNMVHJJNNCTG-QGZVFWFLSA-N 446.577 1.408 30 10 IDEE CC(=O)N1CCN([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1749883006 LBSRQUQMQSMGKN-UTKZUKDTSA-N 439.564 1.978 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CSCCS1 1750154352 MANTZEDPEPMDAX-JJXSEGSLSA-N 425.580 1.579 30 10 IDEE C[C@]12COC(=O)N1CCN(c1nnc(-c3cccc(C#N)c3)n1CCSCCCO)C2 1751307748 AUCBBMMITJUZET-NRFANRHFSA-N 442.545 1.963 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCC(=O)N(C)C 1760101647 UHUBRCGLFCAWIB-OAHLLOKOSA-N 445.593 1.873 30 10 IDEE C#CCCCCn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760135196 MDYFJXMLIKWOSA-ZWKOTPCHSA-N 425.537 1.906 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760184995 NLDRYNSOQRVSMD-SFHVURJKSA-N 439.541 1.967 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760186488 NWLBEHYIJDXKCV-MSOLQXFVSA-N 437.610 1.214 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)S(=O)(=O)CC 1760213877 UXJSPJHTPMYJHI-UHFFFAOYSA-N 438.557 1.951 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)nc2)CC1 1760273080 HTILWVWMXGCMSG-LJQANCHMSA-N 437.548 1.605 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760445466 KRQPKIWXQWPSTB-KRWDZBQOSA-N 430.553 1.602 30 10 IDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCOCC1 1760489795 KDXNJRGEANQEOQ-UHFFFAOYSA-N 425.493 1.386 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1760523252 RBAQAYJISHBBGI-ZBFHGGJFSA-N 442.524 1.387 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1760700717 IFWQSOBLJQKDAH-STEAMIEHSA-N 447.561 1.614 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCOC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1762116714 KSLGIMPTMJPPMJ-KTVWJZFRSA-N 436.516 1.929 30 10 IDEE C[C@@H]1OCC[C@@]12CN(c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)CCO2 1763274485 LVGKVRAMERWVTO-UOSAUPBJSA-N 444.536 1.486 30 10 IDEE CN1CCN(CCn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1767526916 IFGZBEKANWHLQX-IBGZPJMESA-N 441.555 1.763 30 10 IDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1768517626 JWVCCQPDOCVNBU-FQEVSTJZSA-N 435.536 1.828 30 10 IDEE CN(C[C@@H]1CC=CCC1)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1768762465 JEDNZZNYGCOWSR-VQYLBFNNSA-N 439.520 1.548 30 10 IDEE COCCOCCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770146616 UJSFYCHQUNIYMP-UHFFFAOYSA-N 435.488 1.928 30 10 IDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1771004743 ADRDSTCBQPDTJW-IERDGZPVSA-N 445.545 1.229 30 10 IDEE COc1nc(I)ccc1OCC(=O)N1CCN(CCC#N)CC1 1850563469 RFCRKFHTAOZULA-UHFFFAOYSA-N 430.246 1.131 30 10 IDEE Cn1cc(C#CCNC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cn1 1853320718 BSVNSQIIJFOESD-UHFFFAOYSA-N 440.857 1.777 30 10 IDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)C(=O)C2)C1 1853742666 YROALJWMNPYKRF-VQIMIIECSA-N 430.936 1.624 30 10 IDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3ncc(Cl)cn3)C2)CC1 1855913577 VNNIKMDSRIAJTC-AWEZNQCLSA-N 425.880 1.208 30 10 IDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1=O 1856496529 IWMGJRJINQQNLT-MAUKXSAKSA-N 436.509 1.199 30 10 IDEE COc1ccc(CCN2C[C@@H](CNS(=O)(=O)c3ccccc3C#N)CC2=O)cc1OC 1858031071 LGYWSGCWICOWJE-QGZVFWFLSA-N 443.525 1.945 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1858320070 PAACHZSSNCIIEQ-HNNXBMFYSA-N 449.510 1.071 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(C)(C)O 1993308263 FVDCNYFADFWYIJ-UONOGXRCSA-N 426.514 1.622 30 10 IDEE C#CCN(C(=O)[C@H](CO)CNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 2022919781 JQWLMLJCVNMTKL-INIZCTEOSA-N 439.553 1.981 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2224081692 SZTLABRUKUXISD-ZOBUZTSGSA-N 435.330 1.134 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2247829170 KLVHSOVFFPAEHW-KBPBESRZSA-N 444.359 1.878 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2247919136 PGGLQYWPLBHSHA-CHWSQXEVSA-N 439.343 1.152 30 10 IDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608267 JEVNIHLTFMLBEU-ZDUSSCGKSA-N 437.350 1.393 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255630438 KKCVPXWCPMNWEK-OKILXGFUSA-N 432.330 1.933 30 10 IDEE C[C@@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255639029 QHROCHXVVHMKKB-PWSUYJOCSA-N 447.288 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267274685 DDPLVYPPSARILN-CABCVRRESA-N 448.329 1.188 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC2(O)CNC2)n1 2267501886 FHGRWTPUBQXWMQ-UHFFFAOYSA-N 437.349 1.666 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)OC(C)(C)C 2267516309 BXMKYCZIABEUSF-MIFYACCESA-N 446.357 1.623 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1 2267516792 IYOWXGMRBUEGKV-UHFFFAOYSA-N 446.357 1.721 30 10 IDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267520471 NDUGJGDACBIEEZ-FVQBIDKESA-N 446.357 1.847 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC(NC(=O)OC(C)(C)C)C1 2315532628 HRMYJHHSSKOYPC-UHFFFAOYSA-N 434.346 1.752 30 10 IDEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)OC1(C)C 2315694437 YZRHUMFJTUODIF-LLVKDONJSA-N 447.288 1.973 30 10 IDEE O=c1c(Cl)c(NN=Cc2ccc(O)c([N+](=O)[O-])c2)cnn1[C@@H]1CCS(=O)(=O)C1 2322614599 COPXSUKLMDNLGA-SNVBAGLBSA-N 427.826 1.316 30 10 IDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COS(C)(=O)=O 96031321 AFMXNPUMXZCVGU-CHKNUKQCSA-N 440.558 1.766 30 10 IDEE in-vitro N#Cc1nccnc1O[C@@H]1CCN(C(=O)CN2CCN(c3ccc(F)c(F)c3)C2=O)C1 219963204 CAEDDVVAZVYTKF-CQSZACIVSA-N 428.399 1.548 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 391619420 NBUBTKFWIVACQQ-UHFFFAOYSA-N 437.747 1.106 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 431675806 JHOTVTDEOOPKIC-UHFFFAOYSA-N 432.322 1.695 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccccc1C 440380825 KJFBTQHVQLMJIC-UHFFFAOYSA-N 437.521 1.765 30 10 IDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460782392 MZEIPLITOKPVKL-UHFFFAOYSA-N 436.568 1.898 30 10 IDEE CCNC(=O)N1CC[C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 472150646 CEOHHXIJAKFPEZ-HNNXBMFYSA-N 426.477 1.943 30 10 IDEE Cn1c(=O)sc2cc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 474108955 VPXCIBQMKFHLOH-UHFFFAOYSA-N 428.539 1.978 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C[C@@H]3CCCO3)c2=O)nc1 478757568 YLWYUVHGFZEXBT-AEFFLSMTSA-N 439.537 1.291 30 10 IDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 482260306 GNCIAPVNUVNZOI-BZSNNMDCSA-N 442.472 1.332 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)C2)nc1 490987275 JEFWHHKSLOOCKF-ZWKOTPCHSA-N 441.513 1.579 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 492416384 DSWNIWIENYXILD-INIZCTEOSA-N 439.482 1.763 30 10 IDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc(F)cc2)c1=O 512761410 AWWPUDILASKXLO-UHFFFAOYSA-N 437.500 1.380 30 10 IDEE CC(C)CN(CC(F)(F)F)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 533021523 AHSXUIONINUTJI-UHFFFAOYSA-N 446.495 1.911 30 10 IDEE C[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 557747383 OZSLIQBOTRJRKK-INIZCTEOSA-N 427.530 1.656 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C 558589732 QNOMFBQJUYSKLI-UHFFFAOYSA-N 434.443 1.613 30 10 IDEE Cn1cc([C@H]2CN(C(=O)c3ccc(C#N)nc3)CCN2C(=O)c2ccc(C#N)nc2)cn1 612375341 PFEZOXNQNVHGSX-HXUWFJFHSA-N 426.440 1.293 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 619551032 KIOQNEPGUNKSTD-UHFFFAOYSA-N 425.938 1.093 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCO2)CC1 670297989 NOECKWCVYIQZJM-OAQYLSRUSA-N 438.576 1.667 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C#N)n(CCc3ccccn3)c2=O)cc2c1OCCO2 726179129 JSAKVUAKCBTXGV-UHFFFAOYSA-N 446.488 1.354 30 10 IDEE COc1ccc(CN2C[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)cc1 726729002 KVKRJRBNWQPISK-SFHVURJKSA-N 427.482 1.562 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 728582530 PNTXHCABWDJVSX-NSHDSACASA-N 437.293 1.168 30 10 IDEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1cnc2c(cnn2C)c1=O 731069468 BGGIGNRHMJYKSY-CYBMUJFWSA-N 440.485 1.564 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)ccc1F 732127381 IPPUFAXKKOSHJV-QGZVFWFLSA-N 425.526 1.617 30 10 IDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732663695 CKCZMQHXIQUFAB-CQSZACIVSA-N 426.926 1.077 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 746584048 VILNYCJOCGWRDE-UHFFFAOYSA-N 426.439 1.401 30 10 IDEE COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C#N 746877610 QJSBSMRNFGENEO-UHFFFAOYSA-N 433.461 1.657 30 10 IDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)c1 757210707 ZBLNFZFFEWNFIP-WGLILOHCSA-N 443.504 1.356 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758061218 YZKJALXELGZPSA-UHFFFAOYSA-N 445.456 1.846 30 10 IDEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 758085669 ZURJFBLFQIXWHK-UHFFFAOYSA-N 440.594 1.760 30 10 IDEE Cc1cc(C)nc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)n1 758752849 CLYFXZXBAXKJQX-IRXDYDNUSA-N 429.525 1.684 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 765905137 NHTJETBNBBCSFD-QILLFSRXSA-N 433.486 1.169 30 10 IDEE CON=Cc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 780399786 AVXAQRMIIAPJIX-FQEVSTJZSA-N 438.532 1.662 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2ncccc2S(C)(=O)=O)C1=O 783057992 XKCPYWALTYRVFT-ZDUSSCGKSA-N 438.556 1.814 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)NC2(C#N)CCC2)c1 784196393 UHCALPJDSXNJAL-UHFFFAOYSA-N 434.518 1.256 30 10 IDEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1CCN(c2cnccn2)CC1 789181266 FDUOBLJMKBGVSL-DOTOQJQBSA-N 429.525 1.846 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3c(cc2Br)NC(=O)CO3)n1 790104890 YEBJNYUINPWVPU-UHFFFAOYSA-N 447.289 1.899 30 10 IDEE C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)C1=O 790893074 FCMQPXUUJAIWGZ-WMZHIEFXSA-N 436.516 1.793 30 10 IDEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1OC 800706903 JJVJCGGMHGOLIJ-ZACQAIPSSA-N 438.550 1.893 30 10 IDEE C[C@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(N2CCCC2=O)cc1 803594788 SIUDVVPJHZDUNU-KRWDZBQOSA-N 446.511 1.606 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1 808113221 BFVBOHHBRIRDPC-ZDUSSCGKSA-N 449.460 1.806 30 10 IDEE Cc1cc(C)c(N2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)c(C)c1 811415284 QFYOASTYOHDOQH-IBGZPJMESA-N 440.525 1.684 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccccc2-c2ccnn2C)CC1 814223048 KTTULUJQAKVSBJ-UHFFFAOYSA-N 439.545 1.864 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 919025132 KENPNJRQLVSUBW-BBRMVZONSA-N 440.522 1.244 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)NCCN2CCc3ccccc32)cc1 919319164 TZYLBAISHYAVCA-UHFFFAOYSA-N 441.509 1.195 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)NC(C)(C)C)c1 919846173 IQPKTDMUPVWZTF-XDJHFCHBSA-N 430.552 1.156 30 10 IDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3cccc([N+](=O)[O-])c3)n2N)n1 1084212171 XXFLKAFAJHGGSV-UHFFFAOYSA-N 433.479 1.842 30 10 IDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1136510419 YJGUVFSPTPHTES-KRWDZBQOSA-N 442.516 1.751 30 10 IDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1147823611 UBXROOBMMCCEPM-HSZRJFAPSA-N 430.524 1.646 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 1177755155 XVGKDJCMFFQRQV-SJORKVTESA-N 439.965 1.625 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c1 1213638953 KKLRZQSPJUGDGO-CEXWTWQISA-N 449.573 1.423 30 10 IDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286377406 XBZWAOLBJFJNRY-PKOBYXMFSA-N 428.562 1.538 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1286407711 OXFNWMRBPSHHAS-UHFFFAOYSA-N 445.527 1.778 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1286464943 HIUMHVJJKGCEJT-HXUWFJFHSA-N 438.532 1.200 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCSC2)CC1 1286485502 NQPFOQYINDCOAC-KRWDZBQOSA-N 444.605 1.623 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1286509476 RBXPWCVHWXBLEC-QGZVFWFLSA-N 447.586 1.282 30 10 IDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCn2cc(CO)nn2)CC1 1286654251 CSLRFVUMFHNUCN-OAQYLSRUSA-N 431.541 1.507 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286781489 RRPHZOUMBKGPMH-INIZCTEOSA-N 449.519 1.345 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286824608 FQOFQQBAGRFXOJ-LSDHHAIUSA-N 429.612 1.691 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)c1ccccc1 1288825336 CCSYGAZPFUNPRR-BEFAXECRSA-N 435.529 1.467 30 10 IDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300372946 XGRBUXRHYYPPMI-NRFANRHFSA-N 436.516 1.874 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1300380393 ADDLOXSZMOTQOI-LBPRGKRZSA-N 447.487 1.690 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300501787 NPVWXHLOSJULEX-GOSISDBHSA-N 447.605 1.998 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1COCCO1 1300578291 AROUNGAAVNWIIK-KRWDZBQOSA-N 432.484 1.862 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1300621507 MKROMHYGDFGWGX-ROUUACIJSA-N 426.521 1.664 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1300900241 OGWBMLICDIGEDH-INIZCTEOSA-N 440.614 1.939 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(C)(=O)=O 1301206510 CRNVJPXYNGZCKY-UHFFFAOYSA-N 426.564 1.796 30 10 IDEE C=CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1301417731 WUKNCFFIPHTRPC-UHFFFAOYSA-N 449.581 1.274 30 10 IDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301594614 HQHAFAGKQRKEBE-MRXNPFEDSA-N 445.549 1.186 30 10 IDEE CC(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302471385 RCUCWVCICNGPFD-UHFFFAOYSA-N 446.515 1.571 30 10 IDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O 1309080320 ZSXAGBVFSRNFIX-INIZCTEOSA-N 438.571 1.532 30 10 IDEE C=CCN1CCC(NC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC1 1311894101 RTHUKNLPHQBZSL-SJORKVTESA-N 432.487 1.894 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1315722414 ZSLOPXRUNMHSSR-AJKFJFBCSA-N 439.520 1.671 30 10 IDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1316253386 RLJHJGDTVIHZAB-AUSIDOKSSA-N 440.548 1.373 30 10 IDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1316255495 POIRJKVMAQQYEM-QGZVFWFLSA-N 426.521 1.927 30 10 IDEE C[S@](=O)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)CC1 1316365271 FIPXLUIUEBNPQN-ADKRDUOOSA-N 436.538 1.623 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 1358913016 DDLXTRUFPGVFEQ-HXUWFJFHSA-N 443.573 1.977 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C(N)=O)c2)CC1 1359178731 AGSIILICRZEXGW-IBGZPJMESA-N 443.573 1.924 30 10 IDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1359219644 YINPCKDEURMTCD-UHFFFAOYSA-N 426.569 1.813 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1359466433 BGRVCCGKELUDBO-LBPRGKRZSA-N 436.314 1.490 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1360469355 BETMJZOANDVGJW-AUUYWEPGSA-N 435.575 1.955 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(OC)c(OC)cc2C(N)=O)s1 1442387413 ADMXXJSHVDXZKN-UHFFFAOYSA-N 439.515 1.510 30 10 IDEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCN(C)CC1 1456169389 OBXPYVDMCGNFTG-AWEZNQCLSA-N 431.480 1.928 30 10 IDEE Cc1nc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1-c1nc[nH]n1 1456590785 OGOKNAGJZSJXAI-RNFRBKRXSA-N 445.274 1.937 30 10 IDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1461537164 GKUSXFLKBGQXHC-HUUCEWRRSA-N 443.451 1.584 30 10 IDEE CS(=O)(=O)[C@H]1CSCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1465321661 UBPNMPQFRMLTNY-HNNXBMFYSA-N 444.376 1.703 30 10 IDEE CS(=O)(=O)CCOc1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1467023220 DDRCGOWFOXDNGD-UHFFFAOYSA-N 429.502 1.731 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1)C(=O)OC 1468873690 SQUHCZYNVTUHMS-PVAVHDDUSA-N 436.530 1.847 30 10 IDEE CN(C)CC#CCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1471630608 NMPHTDGYOMYAJE-HNNXBMFYSA-N 440.285 1.039 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 1473265408 FSSGPWJCNPPTAD-UHFFFAOYSA-N 443.511 1.659 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1497618423 RLCPENQKPFBUAV-GNDBUYPCSA-N 437.504 1.872 30 10 IDEE COCCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1504909117 AGUDEDHXKXFDEC-JOCHJYFZSA-N 444.536 1.600 30 10 IDEE NC(=O)C[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505337074 UPFJNVDNGHMAOE-HZSHHLKBSA-N 449.515 1.563 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1COCCO1 1507616265 HTQLQOFWCZASNZ-SJORKVTESA-N 435.525 1.461 30 10 IDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CCC(=O)N1CCOCC1 1507673347 RGAKDLDMPPNISM-UHFFFAOYSA-N 435.528 1.611 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1507691049 ZSYKDBJRGACCIG-QGZVFWFLSA-N 437.610 1.529 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C/C=C/CC)CC1 1507719100 YIFTVGLVSLNLGF-BQYQJAHWSA-N 442.589 1.917 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCc2n[nH]c(C)n2)CC1 1507742721 OOERIUCAEQVSMD-UHFFFAOYSA-N 446.559 1.812 30 10 IDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)CC1 1507864710 FBCVHGTZPYCCND-UHFFFAOYSA-N 430.944 1.873 30 10 IDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1507955128 VOHPALLNHMAXRM-DLBZAZTESA-N 427.571 1.440 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1507955134 VOHPALLNHMAXRM-SJORKVTESA-N 427.571 1.440 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1508075924 QREUJDBPLBTILK-OALUTQOASA-N 445.612 1.617 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 1508139016 BXCZTOKMZVKNFR-UHFFFAOYSA-N 446.455 1.230 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1508313957 HRTVHYPXXRGLCH-HXUWFJFHSA-N 435.532 1.980 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCn2ccnc21 1513408007 GMXGYDGGUJEJNY-NVXWUHKLSA-N 426.525 1.699 30 10 IDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(=O)N(CCOC)C2)cc1 1513654827 BUXGXNBMYFOXKY-UYAOXDASSA-N 438.532 1.731 30 10 IDEE COC(=O)[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1=O 1516486599 PDPMFOFIKSWSMC-KRWDZBQOSA-N 426.473 1.620 30 10 IDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCN/C(O)=C1/N=CC=CC1=O 1518455052 GXIKFHIAAYUSNB-XGNMISCSSA-N 449.515 2.000 30 10 IDEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1530829602 GVWDDNXAXDAQAE-INIZCTEOSA-N 442.497 1.475 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@]2(C)CN(C)C2=O)c1 1539040494 UOKXQSUXOKHVKC-HSZRJFAPSA-N 431.500 1.808 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539212729 RWOFPBRBZZJBLX-SIKLNZKXSA-N 441.557 1.850 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1539221533 PJZKWSGSUQSDFD-ROUUACIJSA-N 432.550 1.352 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)C)nc2)CC1 1539428173 NNBDNPMYAUXXME-UHFFFAOYSA-N 437.548 1.500 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C2CC2)N(C)C)CC1 1539461914 MOYGMGATDFKEHH-HXUWFJFHSA-N 438.576 1.961 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(CCC)C2)CC1 1539484252 IYEXPTWOXLTCLB-OAQYLSRUSA-N 449.603 1.962 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(COC)cc2)CC1 1539489093 GRLCJVUGYXBJIP-UHFFFAOYSA-N 425.533 1.975 30 10 IDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539751014 FQAIJPZBFGPJCN-ROUUACIJSA-N 432.569 1.164 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(Cc2ccccc2)c1 1540869760 VUYAHNOZQSNXEL-LJQANCHMSA-N 448.531 1.413 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)C1 1540881886 VPGVDFFMBWQLDR-GOSISDBHSA-N 430.553 1.602 30 10 IDEE C[C@H]1CSCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1545133376 KCENNDADAZIXPO-DNTCVELPSA-N 439.545 1.732 30 10 IDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CC(=O)N(c4cnn(C)c4)C3)c(C#N)c2N)cc1 1545163636 MBTDPGHJXQCSLH-INIZCTEOSA-N 446.515 1.470 30 10 IDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)Br)CC1 1555989629 CNHOXDGZUJXFEQ-NSHDSACASA-N 438.298 1.908 30 10 IDEE COCC(COC)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1557013359 HRNKFYCNXYYQSQ-UHFFFAOYSA-N 432.370 1.713 30 10 IDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1C#N 1564964417 CRWLYCSLJKUNKL-CQSZACIVSA-N 447.542 1.390 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 1565131818 IZCWAKQHBOHXAW-UHFFFAOYSA-N 435.456 1.516 30 10 IDEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OCC 1569183700 CDPSSBDDINNUNC-KRWDZBQOSA-N 428.482 1.474 30 10 IDEE N#Cc1cccc([C@@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C(F)(F)F)c1 1583134996 QEINKVNGHCGZSU-XJKSGUPXSA-N 442.419 1.443 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)CC1 1585305005 HLEDYSSQEXSFHM-UHFFFAOYSA-N 440.481 1.670 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1587773892 YRGBPPAOXMFEGQ-UHFFFAOYSA-N 430.578 1.833 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1587975081 MJWJFMSLLPDNEO-UHFFFAOYSA-N 435.532 1.372 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1588034400 FMSBWPZZUVVBJY-LJCCNALRSA-N 440.541 1.476 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1588064245 DQZLJKCRHSTLMR-KRWDZBQOSA-N 449.602 1.473 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)COCCO1 1588093271 IHJGGGMXVXEJER-IBGZPJMESA-N 432.322 1.924 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1588420870 SAMVBUUQOLHKEU-QURGRASLSA-N 444.499 1.503 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1588800208 ATKBVFSAPIKGEX-MRXNPFEDSA-N 436.486 1.318 30 10 IDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1588994408 VJBSBZYVXBSLCG-UHFFFAOYSA-N 449.602 1.838 30 10 IDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](CO)O1 1595205730 YUSBPOZTXPDUFR-DLBZAZTESA-N 446.577 1.957 30 10 IDEE C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1611498313 AYLBIVYBRZHUEU-YJBOKZPZSA-N 448.474 1.996 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCn1ccnc1C 1613594614 MSVBKBADLLFNNQ-GOSISDBHSA-N 428.541 1.911 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)c3ccccc3)c2)C1=O 1618750210 FECMOLYCCOTFQW-UHFFFAOYSA-N 427.438 1.435 30 10 IDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)ccc1OC(C)C 1619083928 XBLGTJZGDSLQFG-GOSISDBHSA-N 442.520 1.996 30 10 IDEE N#Cc1ccc(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)nc1 1629976642 RCKIHKIQNWZLNK-LJQANCHMSA-N 439.903 1.987 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)s1 1634307695 YMCDLARMPXMZOV-KRWDZBQOSA-N 437.562 1.937 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2nc(C(C)C)ncc2OCc2ccccc2)CC1 1634876181 HAMGSIDQXNKSKY-UHFFFAOYSA-N 435.528 1.686 30 10 IDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1635881786 FJWQBTNKFDWCAL-UHFFFAOYSA-N 448.476 1.324 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(-c4ccc(OC(F)(F)F)cc4)[nH]n3)C[C@H]1CS(=O)(=O)C2 1639178973 NHJANOUSJGJLQA-SJCJKPOMSA-N 440.403 1.986 30 10 IDEE CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C1 1639779183 NZFKLKPWIJORRA-UHFFFAOYSA-N 442.516 1.915 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)c1 1640123513 TWXKLWAORCENGO-NRFANRHFSA-N 442.537 1.858 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3cnc(C#N)c(C#N)n3)CC2)CC1 1640177677 GACSSENMILCGDR-UHFFFAOYSA-N 426.481 1.015 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)CC1 1643372622 UNZFSRVPLWGDMX-UHFFFAOYSA-N 436.534 1.283 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NOC(C)(C)C(=O)OCC 1643895550 GDZCNTZNIMCZIP-AWEZNQCLSA-N 425.507 1.673 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)COCCO2 1644416975 JWBRYMGJJVOEHT-QGZVFWFLSA-N 435.546 1.548 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)s1 1652988222 NQZLWLZPXQRUHP-GFCCVEGCSA-N 448.526 1.374 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cn2cnc3ccccc32)cc1 1653667146 DIQOBCCWWVPGPM-NRFANRHFSA-N 428.514 1.682 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CC1 1659477690 IDBOXPDQLHDLJS-UHFFFAOYSA-N 440.485 1.363 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@](C)(CO)c2cccc(Br)c2)CC1 1660530788 JSWDYONXCDRFCS-AZUAARDMSA-N 437.382 1.939 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3cnnc(O)c3Cl)C2)c1 1666045281 SQCOGNQPVNPPST-ZDUSSCGKSA-N 437.909 1.309 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)c(F)c1 1683164597 KJNSGTUCEOPLAV-HXUWFJFHSA-N 438.507 1.825 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1689842953 LTIQKAQTLXKSFE-INIZCTEOSA-N 428.518 1.819 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cnn(CC)c2)CC1 1690146797 XACHBZJMBAHZEO-IBGZPJMESA-N 425.537 1.750 30 10 IDEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1690415755 XIBQLBUEYFOBAT-UHFFFAOYSA-N 430.534 1.680 30 10 IDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)N1CCOCC1 1690478253 QRXCFXMLONUHMD-UHFFFAOYSA-N 427.505 1.978 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1690676687 ARWMLODNVLYNQL-OAHLLOKOSA-N 430.484 1.261 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)C1 1690700788 XXBWGUAHBJCXTA-DLBZAZTESA-N 425.599 1.549 30 10 IDEE C=CCSCCn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690752237 BSDNIJHAIBGYQR-GASCZTMLSA-N 436.582 1.904 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1=O 1692424412 LEOGUEDWDWYTEI-QHCPKHFHSA-N 435.532 1.600 30 10 IDEE CC(C)OC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CCO1 1692604096 NJEKTMRUFXVPOB-SFHVURJKSA-N 428.493 1.544 30 10 IDEE CC(C)OCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1692663893 DCUGQLDSQXFKKO-SFHVURJKSA-N 427.509 1.289 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1695435030 DBZPPARLHAPKSI-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE COCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1698221702 KOZXRMSNXYIPAQ-CYBMUJFWSA-N 425.287 1.427 30 10 IDEE CSCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1698388828 GMTLATVEHQQEGC-QZTJIDSGSA-N 447.586 1.820 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705512470 DNFUKFKTGACJRW-QZTJIDSGSA-N 440.500 1.880 30 10 IDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705526703 KHYNLAQFVGQBMA-OAQYLSRUSA-N 431.544 1.973 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705533666 QHDOVWRSVICMDN-OALUTQOASA-N 441.580 1.166 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1COCCO1 1705607024 NSPUXDHHFXSNKJ-KRWDZBQOSA-N 433.534 1.070 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705744569 IEHKVCGWCKXQHT-HNNXBMFYSA-N 442.973 1.271 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)no2)CC1 1705781795 IGEIZLIQKKHDQN-KRWDZBQOSA-N 436.538 1.358 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1705825417 STNXSOVRGUBEIC-UHFFFAOYSA-N 428.541 1.434 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705899610 ZUFBLELWYQZVNR-CQSZACIVSA-N 437.953 1.914 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@H]2C1 1705910387 AOACSYMNYYYREH-LJQANCHMSA-N 440.548 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705934206 FDYKXWMAIRJZCS-MRXNPFEDSA-N 448.545 1.827 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1706852794 GSEMLZWOIIVCNJ-MGPUTAFESA-N 448.549 1.202 30 10 IDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCOC1 1711624080 GXOBFAQAAHSVBI-FXAWDEMLSA-N 431.518 1.246 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CCCn2cc(CO)nn2)C1 1712875261 AZTNUVHCRHUOCV-FQEVSTJZSA-N 428.447 1.624 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1712880319 FARLKVMVBYIFGZ-ZBFHGGJFSA-N 432.431 1.465 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1722286947 LMSXELUWKUVTLP-CQSZACIVSA-N 432.502 1.071 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(OCCOC)CCOCC2)c1 1722305022 LCAOMGIPSIJGRY-UHFFFAOYSA-N 441.532 1.855 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1722341929 GUPLPSYWYHKLLA-HUUCEWRRSA-N 442.586 1.507 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCO[C@H](C)C1 1722350120 MTBZTJJVSUUISX-GOSISDBHSA-N 449.559 1.762 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1722401591 DQWDMCYWNBXIKW-KRWDZBQOSA-N 428.537 1.949 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1722420424 JHDSEJUPZSJZKI-UHFFFAOYSA-N 447.561 1.318 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCOCC2)CC1 1722580271 CAPRUQPYUZIPRS-GOSISDBHSA-N 437.610 1.693 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1Cc1cn(C2COC2)nn1 1722656619 YEPBCCHLHAAZJE-UHFFFAOYSA-N 436.520 1.820 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722740577 QSYAGHHEWAEKKS-IRXDYDNUSA-N 431.566 1.943 30 10 IDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCO1 1723660814 IGLUEANEJNTRHS-GOSISDBHSA-N 432.550 1.760 30 10 IDEE CC(C)OCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1723715229 HVYMOZIPONULGN-HZPDHXFCSA-N 428.559 1.164 30 10 IDEE CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1728331163 GUFGZXNUGGHORK-LXMAKODISA-N 432.525 1.763 30 10 IDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CCC#N)CC1CC1 1731012356 UCRXXZSBQGYMJR-QZTJIDSGSA-N 436.582 1.726 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CCOC)c1 1740550717 JOLMOPCGEXWRJK-GOSISDBHSA-N 449.563 1.801 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1740587761 VKXDJISIWKKFPV-LJQANCHMSA-N 436.564 1.672 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(CC)C(C)C 1740602796 VUDQWWQGYDZEPX-UHFFFAOYSA-N 432.594 1.995 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740619364 NSJKYVJQKOTART-MRXNPFEDSA-N 433.534 1.388 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1740624478 JEPHOXJZUWARTL-LJQANCHMSA-N 441.557 1.265 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cc(C)cc(C)c1 1740640283 JPENSXQOXWMKNE-IBGZPJMESA-N 426.542 1.949 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1740645172 AQXFZLFYOJAXIH-QGZVFWFLSA-N 429.546 1.798 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1740656228 IZPLZMXFFVMVBQ-KRWDZBQOSA-N 426.498 1.420 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740683433 GTYGNFCRKUWLRC-HKUYNNGSSA-N 446.577 1.563 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1740954040 ZTXYMXIRUQFSGF-IRXDYDNUSA-N 429.546 1.743 30 10 IDEE Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)c1C 1742022218 BLIOAZQSCFEGFV-QZQOTICOSA-N 437.504 1.805 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1743950015 CIDWQCNCALMZBF-BHIYHBOVSA-N 429.546 1.983 30 10 IDEE COC1(C)CN(c2nnc(Cc3ccsc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748483903 CRDNXAOJOHGKDT-ISLYRVAYSA-N 428.518 1.682 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748817555 MGNZGCHWERVPHP-WMZOPIPTSA-N 448.520 1.605 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748819717 SEPQZGNOGCWISU-MRXNPFEDSA-N 435.575 1.176 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](OCc2ccccc2)C1 1749677506 BDWVAAHFKOQFBB-LJQANCHMSA-N 438.532 1.498 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)C1 1751274504 TXQJYPDSQZULGJ-CVDCTZTESA-N 443.596 1.881 30 10 IDEE Cc1ccccc1-c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1751664910 VCJWYJBXIQMYMS-BLRPHQBRSA-N 449.515 1.447 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1760192081 DNMDLVNGLNPVNW-MOPGFXCFSA-N 435.594 1.458 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1760235254 HMGOMENLHCTBEC-QGZVFWFLSA-N 429.525 1.828 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NC2CCCCC2)CC1 1760263469 CBTFPDXATYHIAM-RXVVDRJESA-N 444.580 1.206 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2CCOC[C@@H]2C1 1760352433 WKVINZPKYKWLIF-IBGZPJMESA-N 428.493 1.967 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(C)c2C)CC1 1760514544 IZGFUGUSAKRRAD-UHFFFAOYSA-N 439.564 1.662 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760518991 OBTDKTTWQAIZNW-QGZVFWFLSA-N 428.518 1.132 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760527043 XKDHMMVBJKFSHV-IEBWSBKVSA-N 435.532 1.704 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1760689532 ZCPKDXNXZFOYPQ-LSDHHAIUSA-N 448.549 1.578 30 10 IDEE CCCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1765955364 LDAVTSTZAGRDSX-ZPHPHTNESA-N 438.492 1.688 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1766584187 QWQVJCKAEKPAFI-UHFFFAOYSA-N 446.515 1.674 30 10 IDEE CCc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C(=O)ON1C(=O)c2ccccc2C1=O 1772792873 PSIQQTKTRCZIOC-SNVBAGLBSA-N 437.861 1.827 30 10 IDEE CN(C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc(F)cc1F)[C@H]1CCOC1 1853033030 VVBRZBSSSHSCDN-HKUYNNGSSA-N 449.479 1.973 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(Br)cs2)C1=O 1854174152 BPGHZCYAQJDNOF-STQMWFEESA-N 426.336 1.970 30 10 IDEE CC1(C)C(=O)N(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854520378 OYCZKXDBERJXHG-UHFFFAOYSA-N 427.482 1.775 30 10 IDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)c1 1858311795 DUXOCPNSKXMHDN-GOSISDBHSA-N 430.464 1.965 30 10 IDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 1870095192 CRVTTWBGIZDYCK-UHFFFAOYSA-N 444.429 1.924 30 10 IDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)CC1 1890944067 SRROXRYOYOMRFB-BETUJISGSA-N 425.470 1.222 30 10 IDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC(=O)NCc2ccco2)[C@@H]1c1ccc(C#N)cc1 1892262139 RXSQSMULHYFXCX-LEWJYISDSA-N 440.525 1.977 30 10 IDEE C[C@@H](C#CC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C 1901984707 YANGIFPARMBIRF-UONOGXRCSA-N 427.498 1.777 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060620453 AMQJDJLMBRKNOO-AWEZNQCLSA-N 436.318 1.644 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2073249207 YWACZPNEHUWWQX-QGZVFWFLSA-N 434.342 1.878 30 10 IDEE C#CCn1ncc(N[C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2190271044 ZCBXUKFXQAAWFR-SFHVURJKSA-N 441.326 1.813 30 10 IDEE O=C(C1=CCS(=O)(=O)CC1)[C@H](O)c1c(Br)cncc1Br 2232543807 WQGPVXOLIDRVMP-GFCCVEGCSA-N 425.098 1.954 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCOCCN2C(=O)OC(C)(C)C)n1 2255815965 WQMDYBOTOWFEHS-UHFFFAOYSA-N 436.318 1.344 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2255830063 ZKWNGLHMZHGDBT-KBPBESRZSA-N 432.330 1.314 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C1COC1 2256640431 SKOIOKUCOMKQRG-INIZCTEOSA-N 433.314 1.859 30 10 IDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1B1OC(C)(C)C(C)(C)O1 2267005167 KPBYNTUFHIGBGO-AWEZNQCLSA-N 445.329 1.304 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2267184696 WVMRMCRITHJGOV-HUUCEWRRSA-N 446.357 1.562 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 2267589374 ZFDOXRJTACYJLU-JOCHJYFZSA-N 447.341 1.794 30 10 IDEE CC1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CS(=O)(=O)C1 2282831304 IFOAPKLKDXLMBG-UHFFFAOYSA-N 441.789 1.166 30 10 IDEE CCCCCCCCNC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 2140609 WIWJCKQOAWDOQO-KWXDATOUSA-N 442.553 1.976 30 10 IDEE biogenic N/C(=N\OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 21653835 ZITSPVRISIYUIE-UHFFFAOYSA-N 430.892 1.766 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 27558851 QOBAKJPNHDBLIQ-UHFFFAOYSA-N 446.507 1.320 30 10 IDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(S(C)(=O)=O)cc1 28319777 BZQKMXRXNXMXNQ-AWEZNQCLSA-N 435.527 1.773 30 10 IDEE C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1sc2c(c1C#N)CCC2 28645207 KBZLYBQUXSHMFV-AEZGRPFRSA-N 428.470 1.089 30 10 IDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CN2CC(=O)Oc3cc([N+](=O)[O-])ccc32)cc1 31836897 JOMIZWIMURTVDV-UHFFFAOYSA-N 448.413 1.624 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@H]1CCCO1 447269518 BQCODPVLOIAOPD-CYBMUJFWSA-N 435.958 1.609 30 10 IDEE COc1ccc(C(=O)CNC(=O)CCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461744712 GNIAYHYAKIBFQP-UHFFFAOYSA-N 432.440 1.865 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 511138062 XIVGCVPAPPBFLO-UHFFFAOYSA-N 440.525 1.254 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)cc2)nc1 511418637 RLSQEPRNMCKALE-UHFFFAOYSA-N 449.496 1.994 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1Cc1ccccc1 542937437 KXCILZISZPOEDZ-UHFFFAOYSA-N 426.479 1.177 30 10 IDEE C=CCn1c(Cc2noc(/C=C/c3cncc(C(=O)NC)c3)n2)nnc1N1CCOCC1 545647445 PQKUEUCPYHYNMI-SNAWJCMRSA-N 436.476 1.200 30 10 IDEE Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1C1CC1 583399615 YZEHSFLRAZRQQQ-UHFFFAOYSA-N 426.498 1.510 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OCCOCCC)nc1C 586305254 UQBULFZPWGSGPI-MUUNZHRXSA-N 432.520 1.451 30 10 IDEE Cn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 606630027 IYRHBAGVHYXAMR-WSDLNYQXSA-N 433.428 1.836 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)c1 608921790 YVFCJPLEDCUAHD-UHFFFAOYSA-N 442.497 1.347 30 10 IDEE O=C(/C=C\c1ccc(I)o1)NCCN/C(O)=C1\N=CC=CC1=O 732152408 AQJAAZXYGCXJEQ-VBIDOUPHSA-N 427.198 1.540 30 10 IDEE N#C[C@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1nnc2n1CCCCC2 732496458 WABXFNDOJQNKJV-XLIONFOSSA-N 432.484 1.656 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccccc2)c1=O 743728000 ZTGDIGJLFBRRIZ-UHFFFAOYSA-N 436.562 1.849 30 10 IDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CNS(=O)(=O)CCOC(C)C)CC1 748147765 GKYSTWRWMFWTRE-WUJZJPHMSA-N 431.555 1.193 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)C1 758445911 QJNIVTGGONHSRK-JSGCOSHPSA-N 447.458 1.988 30 10 IDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1C#N 782119020 MDHOKFZMSLQXQC-UHFFFAOYSA-N 435.484 1.490 30 10 IDEE C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 790671070 NHOZZBJMGYYLTC-NRFANRHFSA-N 429.498 1.983 30 10 IDEE C=CC[C@]1(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CCCN1C(=O)OC(C)(C)C 791716227 BTVXSAXICFZMBG-OAQYLSRUSA-N 447.492 1.349 30 10 IDEE CS(=O)(=O)c1cccc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 807980137 KPHYRGCNXDQWFD-UHFFFAOYSA-N 432.321 1.946 30 10 IDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 809894152 ZJFZVTNPJRVSRZ-OALUTQOASA-N 431.562 1.222 30 10 IDEE C#C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)c1ccc(F)cc1 812886763 FOSUVGAPDJPZAF-HXUWFJFHSA-N 444.532 1.936 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 813562332 XNKUPPFSXGZQKE-RDJZCZTQSA-N 433.578 1.437 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 813563228 RQOFIYJSGJGXKX-JOYOIKCWSA-N 434.415 1.960 30 10 IDEE O=[N+]([O-])c1ccc(NN=Cc2ccccc2O)c(S(=O)(=O)N2CCN(CCO)CC2)c1 1084236433 JPKRNTFQUYGJBO-UHFFFAOYSA-N 449.489 1.045 30 10 IDEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)c1 1084391347 BVYDMFUEFDLEGC-UHFFFAOYSA-N 442.505 1.971 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)ccc1F 1130015646 KUHWAFKDJHSNGO-INIZCTEOSA-N 430.523 1.329 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CCC2)C1 1142086134 RXLDOEYMXGVWJG-UHFFFAOYSA-N 441.532 1.754 30 10 IDEE C#CC1(O)CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)CC1 1167534314 CCAKKRBBGBXXBM-UHFFFAOYSA-N 440.521 1.968 30 10 IDEE Cn1nncc1C1(O)CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1175724684 SLQRVYKPYICSAO-SFHVURJKSA-N 438.488 1.251 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)C[C@H]1CS(=O)(=O)C2 1176711676 YNSYPWRZNRYCBO-KPZWWZAWSA-N 438.481 1.897 30 10 IDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 1212135979 FKBKQMUFZPHGKS-CQSZACIVSA-N 434.923 1.341 30 10 IDEE N#Cc1cn(C2CN(C(=O)NC[C@H](Cc3ccccc3)c3ccccn3)C2)c(=O)nc1O 1251640468 PAJVPWAGFLTZAV-KRWDZBQOSA-N 430.468 1.808 30 10 IDEE 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C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)C1 1508107511 CZCVLAMQWXWJQW-PMACEKPBSA-N 445.612 1.321 30 10 IDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1519273832 BEIWENWYKJAFRA-LZJOCLMNSA-N 447.515 1.845 30 10 IDEE CO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1519494337 YSTIRONZVHUIMF-UAFUQJIBSA-N 440.479 1.760 30 10 IDEE C#C[C@H](NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 1525055238 ZIJQGYFLJMHESE-DXWYKWHDSA-N 431.286 1.791 30 10 IDEE C=CCc1cc(CNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)cc(OC)c1OC 1535675099 ZGHQWNKAOYIFMA-UHFFFAOYSA-N 429.498 1.974 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccncc2)CC1 1539002790 XXQXXQLSPNKFFJ-IBGZPJMESA-N 431.548 1.800 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1539071850 FZSKBEYXRWPNAE-YLJYHZDGSA-N 434.566 1.545 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539215466 CWOBWGAMOOFEIM-SCTDSRPQSA-N 442.545 1.343 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1539215920 LNAXQBRNDGPPOT-GOSISDBHSA-N 446.602 1.016 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539216744 WQRFKUUQMMGVLB-MSOLQXFVSA-N 430.578 1.632 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539221573 QCBDLKPKQCBFLR-RBUKOAKNSA-N 444.557 1.796 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1539414235 SIMQVTMGYJEDPX-QGZVFWFLSA-N 449.515 1.595 30 10 IDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1539451848 CABCREPHHGOJRE-QHCPKHFHSA-N 446.665 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2(OC)CCC2)CC1 1539476584 BWRSXSSVLUZIPM-QGZVFWFLSA-N 428.537 1.154 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCC[C@@H](C)C2)CC1 1539484645 XQRJFHZOVRNLAD-HXUWFJFHSA-N 449.603 1.962 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1539981674 IHQSVURMWHZFEM-INIZCTEOSA-N 444.565 1.448 30 10 IDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1540912120 NCSCXWZFEJGEAA-QGZVFWFLSA-N 431.518 1.544 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1541109289 DGJFWLVYIVITHH-OAHLLOKOSA-N 429.506 1.649 30 10 IDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1541698628 RCRRQOQXOWIGNR-FXAWDEMLSA-N 437.548 1.498 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnn3c(=O)cc[nH]c23)cc1 1542161956 YFSXSCDBTOXJGM-ULJHMMPZSA-N 442.501 1.868 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C[S@](C)=O)c2ccccc2)s1 1543463488 JYZSBRDLPGRBNA-QMTYFTJSSA-N 426.585 1.991 30 10 IDEE CCC1(Cn2cc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)nn2)COC1 1544403210 XHGFOOWUOSMENW-PTGBLXJZSA-N 446.533 1.770 30 10 IDEE COC[C@@H](F)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1555274711 HVLAEDMEVJOPTP-OXJNMPFZSA-N 432.479 1.879 30 10 IDEE C=CCC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1556642181 DMLNEXBBZRBJRR-INIZCTEOSA-N 440.518 1.344 30 10 IDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1557697586 QPLCKRWAPMQGKX-JOCHJYFZSA-N 441.576 1.539 30 10 IDEE COCCC[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Cl)cc1 1564733249 WYYCKYKHKCFGDI-HNNXBMFYSA-N 433.896 1.984 30 10 IDEE N#Cc1cn(CCNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)c(=O)nc1O 1564745767 DYOITMCIXNOHFZ-AWEZNQCLSA-N 433.266 1.429 30 10 IDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1584747704 IRSYMMFTIGKEKH-WMZOPIPTSA-N 445.321 1.861 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)NCCN(C)C)CC3)n[nH]2)c1C 1587047654 ZQCCDOLDGPEQAO-UHFFFAOYSA-N 427.553 1.606 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1587500772 HIDNUICLSLBXAC-ZWKOTPCHSA-N 448.495 1.991 30 10 IDEE C#CCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1587893360 CQMKGLJTLOHTFF-PXNSSMCTSA-N 439.582 1.202 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1587975050 KWZGVJMTYCJCNO-QFBILLFUSA-N 436.516 1.796 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588065128 UZFXLXMSEZEJRF-SFHVURJKSA-N 449.621 1.800 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1588070229 XMZIUPWPQRTZSP-GHTZIAJQSA-N 448.593 1.173 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1588211334 YELXUXVOEGIFIP-QHCPKHFHSA-N 438.601 1.954 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1588385785 KGXHLIVINLQIJY-KRWDZBQOSA-N 439.582 1.420 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1589069638 NBMFQVJBCKAEPP-CVEARBPZSA-N 434.591 1.274 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1589216676 VAXUXKJDLKEZSJ-QVKFZJNVSA-N 446.577 1.525 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCNS(C)(=O)=O 1589252249 ZXLXDFJKDCYMQK-HXUWFJFHSA-N 433.534 1.407 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)OC(C)(C)C)CC1 1594015229 ZCPNHNWHZVQNET-HNNXBMFYSA-N 442.586 1.960 30 10 IDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1594824581 LTPIFSADFCEOBL-UHFFFAOYSA-N 448.549 1.751 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1595551828 WEXWVPWGWKENOD-SFHVURJKSA-N 429.569 1.888 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1595593603 HBOLWWPPOFPJCF-UHFFFAOYSA-N 446.939 1.733 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(O)c2)C1 1595723145 RZCYVDBQJOIWID-IAGOWNOFSA-N 448.545 1.724 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)n[nH]2)c1C 1610063549 FKHJGCLOYROFFZ-LJQANCHMSA-N 425.537 1.630 30 10 IDEE CN(CCC(F)(F)F)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1618149088 DYSKILVERPBHON-PEZBUJJGSA-N 436.398 1.650 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1619990551 VNZFPIAACJJMQI-PXNSSMCTSA-N 438.548 1.679 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cccnc1 1620020388 XDFPLSKQKPFGCB-YLJYHZDGSA-N 425.537 1.816 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCCN2CCOCC2)cc1 1620352400 UGILYMTVERPRBJ-UHFFFAOYSA-N 426.521 1.678 30 10 IDEE CN(C)CCCN(CCC#N)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1625694709 YIJWSJNFHVKFEF-INIZCTEOSA-N 430.571 1.105 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1630585345 MIVIZLOKTCRDDI-AEFFLSMTSA-N 436.383 1.742 30 10 IDEE COc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 1632115383 LLRRFDXTAKKVOD-QRWLVFNGSA-N 429.498 1.834 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(-c3ccc(C)cc3)c2)CC1 1633224876 PKFXGYWEFGBQEW-UHFFFAOYSA-N 426.542 1.957 30 10 IDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)C1 1644815710 RVSQYCCNEVVMHW-PMACEKPBSA-N 436.556 1.599 30 10 IDEE CN(CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)C1=NS(=O)(=O)c2ccccc21 1646095153 GMJHBDQGVGQPFX-MRXNPFEDSA-N 438.513 1.437 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@H](O)c3ccnn3C)CC2)s1 1646322377 ULGSZKPLFHKYRZ-IBGZPJMESA-N 438.575 1.461 30 10 IDEE C[C@H]1Cn2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2CN1C(=O)OC(C)(C)C 1648155401 FBRDVWGXXZITSR-PJSUUKDQSA-N 449.533 1.033 30 10 IDEE CCOP(=O)(OCC)[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1657749437 DTBWSORRCOFSKN-QGZVFWFLSA-N 431.451 1.449 30 10 IDEE CN1CCN(CCCS(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 1663136229 GBNJGLRMZMQKFQ-FQEVSTJZSA-N 440.013 1.490 30 10 IDEE C=CCC1(O)CCN(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)CC1 1677401638 FPNIOPRTCCPQKM-INIZCTEOSA-N 433.505 1.929 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCc3nnc(N4CCCC4)cc3C2)[C@H](C#N)C1 1681432990 AUUSGCRKTYFTPG-SJLPKXTDSA-N 441.536 1.904 30 10 IDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1683594572 NOXYQJGLXNIJDR-KRWDZBQOSA-N 435.521 1.757 30 10 IDEE C#C[C@H](NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1)C1CCOCC1 1687126326 KTZRNZFKEVKCLZ-VQFNIZELSA-N 434.533 1.967 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(OC)CCOC1 1689835625 PUVBUYHFXCFRID-IIBYNOLFSA-N 447.561 1.459 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1689847541 BQGNZZHKDQFAJU-MWTRTKDXSA-N 435.532 1.199 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1689901082 ARJKBRNWNJFKMQ-MRXNPFEDSA-N 441.561 1.629 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(CC)cc1)N(C)C 1689946364 PVFBHFCDEOLVNV-LPHOPBHVSA-N 432.594 1.823 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1690046403 BWNYVANXUKSGFM-RBUKOAKNSA-N 449.577 1.033 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCOCC2)CC1 1690142117 IQSFTMLFBLMBKL-UHFFFAOYSA-N 437.548 1.028 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1690195966 TYEIEEIMEJSVBK-KNXBSLHKSA-N 444.536 1.299 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1690265355 NCOBLAUUUJLWBF-LJQANCHMSA-N 448.593 1.960 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1690577283 FVELGWMIFUIHAO-DNVCBOLYSA-N 438.575 1.586 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690742651 XHANCMOSAKTXOH-CABCVRRESA-N 427.596 1.552 30 10 IDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)c1 1693229141 FISLUQWTIZOASV-QGZVFWFLSA-N 436.476 1.047 30 10 IDEE Cc1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693511130 GMGLBACRGBETCY-PNBGARPFSA-N 438.488 1.397 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1697988435 GXKOBCQOERRTMK-QHCPKHFHSA-N 437.548 1.644 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1698117975 NAALLDTUFLOJAQ-OPAMFIHVSA-N 426.521 1.988 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705502723 ZEZHTJOTIUFRRR-OAHLLOKOSA-N 436.509 1.394 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)c1ccccc1 1705549736 GKVLIASASWRCHT-UHFFFAOYSA-N 442.501 1.054 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705584584 QKTFQGVEZLQCPP-UHFFFAOYSA-N 442.523 1.852 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nccn2C(F)F)CC1 1705632598 WAAFBWSLNFDJPL-UHFFFAOYSA-N 434.495 1.592 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCn2cc(Br)cn2)CC1 1705639506 PQUBVLGDTHVQJG-KRWDZBQOSA-N 448.369 1.934 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CC)C1 1705938403 XIXLSKHKYNNLTI-GOSISDBHSA-N 445.545 1.945 30 10 IDEE CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1706056623 RYQAUMVWPHPQJP-IBGZPJMESA-N 439.520 1.392 30 10 IDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(S(C)(=O)=O)cc2)CCOC1 1710422964 COCHLEHJKADZAI-IIBYNOLFSA-N 447.561 1.978 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CCSC1 1722276217 GIGHYKUVJQQJDR-YWZLYKJASA-N 449.602 1.521 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(C(N)=O)CCOCC1 1722357786 PLRZEMUBNURLQM-INIZCTEOSA-N 446.552 1.702 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)N(C)C 1722419958 DXKOESZNJCDMPG-SFHVURJKSA-N 426.496 1.877 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC 1722426660 LVPJUFALDUBPLF-QGZVFWFLSA-N 437.541 1.709 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCS(C)(=O)=O 1722494129 MYXNEJBQNUCGNX-DLBZAZTESA-N 439.582 1.366 30 10 IDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1722532368 KBICMPLKVOMJRW-OAHLLOKOSA-N 437.504 1.854 30 10 IDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722554609 REJBJTPXSRVFEQ-KRWDZBQOSA-N 446.943 1.659 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1723651121 UBRVWSWHVWVSBO-UHFFFAOYSA-N 445.531 1.382 30 10 IDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCN(S(C)(=O)=O)C2)cs1 1725227934 WQPYRHLPBMKDPB-ZFWWWQNUSA-N 437.595 1.654 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740555651 NFBTWWFXWPMTSL-QGZVFWFLSA-N 435.532 1.977 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCc1ccco1 1740634590 NMCUGSIENANXIZ-UHFFFAOYSA-N 431.452 1.699 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1740690401 TXTPVDBJHMEHOK-WMZHIEFXSA-N 444.580 1.290 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(F)(F)F)CC1 1740696303 QHTHYQLXDZFVLT-CQSZACIVSA-N 433.500 1.524 30 10 IDEE C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1740791907 BHOJSTXZWTUYCR-GOSISDBHSA-N 435.475 1.691 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCN(CC)CC2)CC1 1740841172 JAQJXQJJDJJOAX-IBGZPJMESA-N 429.613 1.829 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1741289212 SAUBLVMYMQMCNQ-LJQANCHMSA-N 426.521 1.831 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)C1CCC1 1747129031 ADSHLGNTZROWLJ-UHFFFAOYSA-N 439.520 1.656 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCOCC2)CC1 1748752401 WIOCLYBJZRULMY-IBGZPJMESA-N 435.594 1.142 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)CC1 1748989127 FYAWOSBOIIRFTR-MOPGFXCFSA-N 443.573 1.403 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCSC2)CC1 1749010208 PIWOGVAJPNRTSG-UWJYYQICSA-N 433.578 1.006 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)c2cccs2)CC1 1749019534 YFCQLKAUGNPTEK-NRFANRHFSA-N 431.562 1.750 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1749210310 HEDYICAYEAKCIN-UHFFFAOYSA-N 446.596 1.655 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@](C)(O)C(C)C)CC1 1749304185 WSWHFLZJBNIVQC-QFBILLFUSA-N 427.571 1.174 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749363508 FUDILPMTXVDQRN-AWEZNQCLSA-N 429.525 1.352 30 10 IDEE C=CCCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749406112 AAIXJUPQSYQTSF-FQEVSTJZSA-N 436.560 1.957 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1)C1CC1 1749519017 CRKQEVXJJWHDAL-QAPCUYQASA-N 438.598 1.249 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749676891 GXRXXSMEDGBBAJ-INIZCTEOSA-N 429.550 1.273 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749680728 PCDYQBQZVQTDMV-JOCHJYFZSA-N 440.504 1.499 30 10 IDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682573 VRBJBLUOMJAGCV-AUSIDOKSSA-N 447.580 1.874 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1760189637 KJGNKOOZQSLDPS-FXAWDEMLSA-N 437.635 1.295 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1C 1760219608 IUZUGEZZUAZFOX-OTWHNJEPSA-N 433.578 1.510 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760281162 OXMXYDXWITZLFT-OAHLLOKOSA-N 433.582 1.226 30 10 IDEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1760419483 SRAYFQYAORVNJC-MRXNPFEDSA-N 439.582 1.352 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760511933 QQRNCOPGONRWHF-SFHVURJKSA-N 436.564 1.739 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@H]1C 1760531595 UFJFYWFTYPFZAU-QGZVFWFLSA-N 438.532 1.794 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760696785 UHXXOZHITAMIFS-TVFCKZIOSA-N 436.582 1.582 30 10 IDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1763401740 HRDWAOJEUDVXDA-YBVWCTEOSA-N 440.548 1.955 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1764684049 APQMRQZSUFOTIY-UHFFFAOYSA-N 431.504 1.412 30 10 IDEE CN(C)C(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1768446724 AALHLRNVTWACHN-ZDUSSCGKSA-N 433.310 1.915 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1770754564 YCDYATMFDNDOGU-RJCBAWPRSA-N 425.493 1.438 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1770952119 ZBTTUVIQKHDYEH-RJCBAWPRSA-N 430.509 1.314 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1850075064 KEUHPZCIPDJYAY-SFHVURJKSA-N 431.562 1.490 30 10 IDEE Cn1ncc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1Br 1852283889 HLDOLAJAJGVNRC-MRXNPFEDSA-N 449.305 1.991 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)nc1 1853114831 WJNADLDEWGCVOS-GOSISDBHSA-N 437.475 1.811 30 10 IDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cn1cncn1 1854529613 MDDQLJGJNWHOAM-INIZCTEOSA-N 429.502 1.513 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)COc3cn(CCO)c(C(=O)O)cc3=O)c2C#N)C1 1857882968 SFQWVOVEVWTUAX-LLVKDONJSA-N 431.470 1.614 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870547025 BOGUJGKZGKWYEE-WSTZPKSXSA-N 433.549 1.660 30 10 IDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3CCC(CO)CC3)ncnc21 1873561386 XGFSIHXGZPOBGJ-UHFFFAOYSA-N 441.532 1.805 30 10 IDEE Cc1ccc(=NCCNC(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)[nH]n1 1889405575 QIDQOXXMOXMTAO-RTWAWAEBSA-N 438.557 1.700 30 10 IDEE CCn1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)c2cc3c(cc21)OCO3 1891716469 VNHCIYVKNLOFCO-UHFFFAOYSA-N 431.452 1.979 30 10 IDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CC[C@@H](C#N)C1 1982313723 LLTHZTOHZIQNHX-ZDUSSCGKSA-N 447.558 1.084 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 2047135873 NFNSLTGDARADPZ-UHFFFAOYSA-N 431.342 1.550 30 10 IDEE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248415739 GBSCIMZDPJVRHR-NSHDSACASA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)O1 2248487051 QQHXVUXWUBSPJG-LBPRGKRZSA-N 439.343 2.000 30 10 IDEE C[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2255602476 SVJKUSYERQOAMM-ZYHUDNBSSA-N 430.236 1.238 30 10 IDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255629038 PVQUFEDPZASAAT-UHFFFAOYSA-N 434.346 1.721 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCCN(Cc4ccccc4)C3)[nH]n2)OC1(C)C 2267143372 HEZMNJPIMFDXLI-QHCPKHFHSA-N 440.353 1.466 30 10 IDEE Cn1cc(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267187881 DZNHWGWIGWEGAY-UHFFFAOYSA-N 446.357 1.849 30 10 IDEE Cc1c(C(=O)N2C[C@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267527472 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N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 238841299 HVCNFSOFNDJNNL-QGZVFWFLSA-N 441.513 1.816 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 409790179 NWNIOOCPJQTZGQ-GWCFXTLKSA-N 425.454 1.573 30 10 IDEE C=CCc1cc(CNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc(OC)c1OC 460159622 GBQPSMGCCUJVHC-UHFFFAOYSA-N 440.566 1.456 30 10 IDEE CCOC(=O)c1c(NC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)c(C#N)cn1CCOC 480124971 OLJFRVZITWDCNE-GFCCVEGCSA-N 426.495 1.270 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c(F)c1 480690621 STDXVHXNCFLNDR-UHFFFAOYSA-N 441.481 1.996 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486253462 GHQFTNRVUCAATM-GOSISDBHSA-N 427.486 1.389 30 10 IDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 489236772 LUKFIGUFLGZHCG-KXBFYZLASA-N 431.555 1.147 30 10 IDEE CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 517663294 WCPPDGYSJGUOMM-MRXNPFEDSA-N 428.470 1.121 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@@H](C)C#N)C3CC3)CC2)cc1 532817345 BBNWUJKBDUJPRV-KRWDZBQOSA-N 434.562 1.542 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 533671037 KDKNXPIOHIGUQV-AZUAARDMSA-N 437.947 1.854 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1 539249293 MCHHZHDMXPAYRU-FQEVSTJZSA-N 433.503 1.415 30 10 IDEE CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2C[C@@H]1C 544842168 ADNIVLIEWZBNFM-HNNXBMFYSA-N 425.514 1.762 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)CC3)CC1 550096569 TYADYXYOTZRGET-OAHLLOKOSA-N 440.935 1.788 30 10 IDEE CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 557832536 WYJZVCYOQLTAKT-UHFFFAOYSA-N 449.558 1.152 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 603797184 ADWZIABKOJKSNE-INIZCTEOSA-N 431.945 1.770 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1 609001917 ZAVUPPFCLAKKKK-SFHVURJKSA-N 426.521 1.202 30 10 IDEE COc1ccc(CN2C[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)cc1 726729092 KYRDAEFDFYMUET-SFHVURJKSA-N 427.482 1.562 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 731861521 DUPDCZHPAAFIAR-XDOYNYLZSA-N 444.447 1.739 30 10 IDEE C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465454 FMBVDYLZZOZIGO-BVGIJJTOSA-N 433.459 1.879 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCc1ccc(I)s1 733894568 BZIAYMSPWVEGKS-CCEZHUSRSA-N 445.282 1.928 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(CCC)c2=O)cn1 735069545 VUWDTTYSQGHXPW-UHFFFAOYSA-N 425.514 1.339 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(F)cc1 741457929 UXCGNOHDPVNOCO-KRWDZBQOSA-N 437.541 1.351 30 10 IDEE Cn1cc(N2CCC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 741724294 TWLLKOMGBKFCRI-OAHLLOKOSA-N 430.534 1.024 30 10 IDEE C#CCN(C(=O)CSc1nc2ccccc2nc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 765012842 MQWMSGURBLOXFD-MRXNPFEDSA-N 444.582 1.971 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)CC2)o1 769020948 AKNXZPFGEDZDCM-CQSZACIVSA-N 449.508 1.740 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc2c(cc1Br)CCC2 773300635 BKSZBKFDCYEMTG-MSUUIHNZSA-N 447.289 1.519 30 10 IDEE COC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Br 775143169 ACMDLYSMLMAKSX-CYBMUJFWSA-N 435.278 1.373 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)[C@@H]1CCS(=O)(=O)C1 776183670 VFJMFUYSBXJMKR-HIFRSBDPSA-N 443.447 1.643 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)[C@]3(NC(=O)OCc4ccccc4)CCOC3)CC2)nc1 779858477 GFQZPUDFNXHFIL-QHCPKHFHSA-N 435.484 1.687 30 10 IDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1ccc(C(N)=O)cc1 783956462 YPZMTHQLLHJOIV-UHFFFAOYSA-N 444.501 1.272 30 10 IDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 784123192 BNECZJMCUQFMSR-GOSISDBHSA-N 434.537 1.783 30 10 IDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCn2ccnn2)cc1 784127817 LBMLBMLJKDQYTA-GOSISDBHSA-N 443.577 1.676 30 10 IDEE CC(=O)N(C)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 785148938 XQHBMSADWHPZIS-UHFFFAOYSA-N 425.445 1.343 30 10 IDEE COc1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2OC)c2nccn2C)cc1C#N 785624857 KUIGKOBFRAUBAO-FQEVSTJZSA-N 433.468 1.831 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCc2ccn(C)n2)C1=O 790742085 MLBSZBXNCHFVFT-INIZCTEOSA-N 434.591 1.724 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 791209837 OUDLLTSUNDVRCQ-KRWDZBQOSA-N 444.488 1.172 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C[C@H]2CCCN(C(C)=O)C2)C1=O 794441753 VLZMYDJMEJNBDX-MAUKXSAKSA-N 427.530 1.884 30 10 IDEE COC(=O)[C@H](Cc1ccc(C)cc1)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 795556357 LVVGMZWPLWZGJJ-BEFAXECRSA-N 430.482 1.861 30 10 IDEE CCOC(=O)C1(S(C)(=O)=O)CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 795728820 VDAJPUZVAQTFNU-UHFFFAOYSA-N 431.518 1.525 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)[C@H](C#N)C1 796492590 VMDYAMKNRMLWRP-CYBMUJFWSA-N 440.497 1.613 30 10 IDEE C#CCN1CCN(C(=O)CN[C@](C)(CC(=O)OC)c2ccc(Br)cc2)CC1 796498321 SWXYWGLCOHCNKF-HXUWFJFHSA-N 436.350 1.594 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)=NO1 798989960 DUOAUNVOQQMQHT-IAGOWNOFSA-N 441.488 1.839 30 10 IDEE COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802476564 UDBAJRQORXGEKQ-KRWDZBQOSA-N 442.520 1.794 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@H](C(=O)NC)c3ccccc3)cc2C1=O 918812652 SJTJIZZEEMBMPN-IBGZPJMESA-N 435.436 1.229 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2=O)cc1Cl 1128693329 GDIURUUQLLQNDP-CZUORRHYSA-N 444.841 1.944 30 10 IDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)COc2ccccc2C#N)cc1 1128759731 AYQIJVFNKJJPCH-HNNXBMFYSA-N 425.441 1.884 30 10 IDEE C#C[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1129730872 MSUIDZWECPJSAA-HNNXBMFYSA-N 427.258 1.499 30 10 IDEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1131117003 NNOIQBGPOZVPCI-LLVKDONJSA-N 435.433 1.443 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](n3ccnc3)C(F)(F)F)CC2)cc1 1136149211 AYSISEDDFYQJBV-MRXNPFEDSA-N 441.435 1.781 30 10 IDEE CS(=O)(=O)CCN1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 1136668765 AWHFKNDBBMUFBY-UHFFFAOYSA-N 428.352 1.488 30 10 IDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1142086187 UGHIGIYSDOHMBB-UHFFFAOYSA-N 429.521 1.754 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)[C@H](C#N)C1 1149176033 FZRNORZVNZANFF-IAGOWNOFSA-N 432.477 1.245 30 10 IDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1154888774 GTTPDCBHPFQMGF-VQIMIIECSA-N 441.513 1.033 30 10 IDEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1214205725 LECLZADAHMCXSX-CVEARBPZSA-N 425.532 1.172 30 10 IDEE N#CCOc1ccc(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1214342508 CUSRFJJGLXIVPH-UHFFFAOYSA-N 429.502 1.773 30 10 IDEE COC(=O)[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)C1=O 1264259240 JDCIZVTYPHUERB-CQSZACIVSA-N 427.486 1.816 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1286268603 AESNSNBNBUYOQO-MRXNPFEDSA-N 429.546 1.565 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)N(C)C 1286383715 ZEVJYBWRCPCCOB-GASCZTMLSA-N 440.570 1.010 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1CC 1286508688 KLHBGGKKBBHDSG-ULQDDVLXSA-N 441.623 1.602 30 10 IDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1286775678 SZYVFEUWTWSLTB-SFHVURJKSA-N 444.561 1.733 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1286781040 NLUVBSYLQWELLL-GASCZTMLSA-N 446.939 1.777 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 1286794004 SFEPLCBWVJAEBZ-KRWDZBQOSA-N 448.568 1.861 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1286959015 CLRWQAMFKMCCQL-JKSUJKDBSA-N 444.565 1.924 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1288083416 FTKQRHQVPKHIBH-UHHPSXQGSA-N 443.552 1.815 30 10 IDEE CCO[C@]1(c2nnc(N3CCN(CCOC)CC3)n2Cc2ccc(C#N)o2)CCOC1 1296662387 QCXBFEWQBKBBCI-OAQYLSRUSA-N 430.509 1.212 30 10 IDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1298933611 QJCNAGIULHAVCV-SQNIBIBYSA-N 435.532 1.745 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1OC 1300076079 BMNACWCCRLRUDJ-WMZOPIPTSA-N 442.520 1.412 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1300306925 AHLLRRFQONOIKP-VGOFRKELSA-N 425.537 1.716 30 10 IDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300364488 KTDXNTPPCFAYDQ-IBGZPJMESA-N 439.564 1.965 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1300485088 WPZXCPZLFYUMQP-LAUBAEHRSA-N 436.578 1.746 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300488083 OOKFKEIJVSTGEI-CDXJDZJCSA-N 431.562 1.764 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1300504395 NBZKDSASZLVOIR-KRWDZBQOSA-N 436.509 1.637 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1300561980 WVMYMYUWDHEUOJ-NRFANRHFSA-N 444.582 1.680 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cc(C)oc1C 1300648770 JCIWMGNKXJVJHU-JOCHJYFZSA-N 429.521 1.718 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)[C@H](C)CC)CC1 1300710793 LLOKEMNAURGWJE-SJLPKXTDSA-N 432.569 1.443 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)O)CC1 1300718447 OPCODQAQQIQABU-UHFFFAOYSA-N 426.477 1.590 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(CCC)C2)CC1 1300719713 NBCPMNPKQPIHCH-IBGZPJMESA-N 437.592 1.981 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1nccs1 1300988558 GFCYYQXOARXQSW-OAHLLOKOSA-N 425.580 1.908 30 10 IDEE C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1301018886 BBEDNGMQQRYHCF-UHFFFAOYSA-N 449.762 1.870 30 10 IDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1301082917 LQINPXHQZUJDDX-UTKZUKDTSA-N 431.468 1.709 30 10 IDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301236780 JURGLVOZLPFPJK-BBWFWOEESA-N 432.525 1.441 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1301475441 RFCYCOUKUMXRJR-SFHVURJKSA-N 442.520 1.595 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1301501306 UYCFHVQQWNTVFC-ZWKOTPCHSA-N 445.568 1.404 30 10 IDEE CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1302497995 JSYMJYHDWZSWLM-CEXWTWQISA-N 444.561 1.812 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302977626 BJMBALDCUIMNRQ-OKBDGTALSA-N 429.456 1.140 30 10 IDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCc2ccccc2)CCO1 1303003145 CXANYNQUCMNXKC-MOPGFXCFSA-N 429.546 1.932 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccc(F)cc3)c2CCC)CC1 1310559204 VSHZCUVZTDSSPD-UHFFFAOYSA-N 448.524 1.581 30 10 IDEE CCOC1CC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)C1 1314262757 APVQDDQMDMXJPI-BQTBQCLESA-N 432.550 1.938 30 10 IDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)CC1 1314504430 GPGXRGNLYCSRDU-SFHVURJKSA-N 447.561 1.882 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1314939219 UNMBHVSLVDZSQD-UHFFFAOYSA-N 427.509 1.908 30 10 IDEE COc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1315467637 DKNFUGSDOPVJEP-SJLPKXTDSA-N 431.518 1.160 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1318391873 XCMWYUIUMFVSHH-ZPHPHTNESA-N 435.465 1.679 30 10 IDEE N#Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cs1 1352214764 FGHMBSSITAAODG-CYBMUJFWSA-N 425.513 1.337 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(O)(CCC)CCC)[C@@H]1CCS(=O)(=O)C1 1358960731 KODWOPMNGINAHI-QGZVFWFLSA-N 446.577 1.693 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)COCCO1 1358988837 FPROQHVCIMRBPN-QFIPXVFZSA-N 432.488 1.189 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1358989944 VBQNKXRJEYZNBE-UHFFFAOYSA-N 436.541 1.896 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CC(OCC)C1 1358992739 VHHPIGDRYXXRSK-UHFFFAOYSA-N 446.511 1.987 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@H]1OC 1359003184 BBAMIXSOEGDLEI-PKOBYXMFSA-N 432.546 1.860 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCCC)CC1 1359043328 QDYYKMAJFYNPKF-UHFFFAOYSA-N 426.496 1.576 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC[C@@H]2CCOC2)CC1 1359045206 ZPDCXEWVIMWZTP-ICSRJNTNSA-N 445.564 1.191 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCn2cccn2)CC1 1359164924 CSPXFHWVDXJQMS-QGZVFWFLSA-N 435.554 1.054 30 10 IDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1359232561 XXIZBKJTPSRGPN-APWZRJJASA-N 427.571 1.365 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359341104 LWRMOKWCWMJKCQ-IBGZPJMESA-N 430.626 1.814 30 10 IDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 1440879728 RRSUDCBIUADOGV-UHFFFAOYSA-N 447.542 1.332 30 10 IDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1460229428 FJHXIFDPAVOZSE-MSOLQXFVSA-N 433.530 1.494 30 10 IDEE C#CC[C@H](CCOC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1461931104 GVBYKYQADILUKS-OAHLLOKOSA-N 447.513 1.120 30 10 IDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 1468476689 CRQXBFATEBGZNU-LBPRGKRZSA-N 428.297 1.591 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 1470446966 YXFSVOJRQHIQFO-UHFFFAOYSA-N 427.526 1.489 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)s1 1470526751 CJAJXGGUBPDCAB-IAGOWNOFSA-N 439.603 1.515 30 10 IDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1471983866 KBSCDYNJOINMQR-GOSISDBHSA-N 427.530 1.952 30 10 IDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOCCN2C(=O)c3ccccc3C2=O)C1=O 1472907395 BXZANRTZMSJEHY-QHCPKHFHSA-N 432.436 1.638 30 10 IDEE N#Cc1cn(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c2ccc([N+](=O)[O-])cc2c1=O 1472988178 NVYJFWHNIOWXGR-UHFFFAOYSA-N 437.456 1.642 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCC1 1503461439 AZVQHWDIQHHGTQ-GOSISDBHSA-N 429.546 1.993 30 10 IDEE CN(CCC(F)(F)F)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1503569627 WNXOMBSZXIJQQI-JQIJEIRASA-N 438.414 1.594 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4CCCC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1505316801 LIVVSWSJCBBVAL-KRWDZBQOSA-N 429.475 1.873 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNc1ccccn1 1507764360 LPVOKNSCLUPHEY-OXJNMPFZSA-N 431.566 1.778 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1)C1CC1 1507992310 BEDROEZFEFLZKX-PXNSSMCTSA-N 439.582 1.581 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)C1 1510288314 OIRDSMQWQGFGQT-HRAATJIYSA-N 425.493 1.861 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1513573545 MZJYDCAWZUIITJ-NRFANRHFSA-N 447.561 1.883 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c1 1515986577 AXMREADKWKXQQF-CABCVRRESA-N 447.565 1.425 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)CCOC1 1516180451 CNNHOJDWFMFYQX-FGZHOGPDSA-N 442.495 1.714 30 10 IDEE CN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1516975838 BTTQFEVDIGBOII-INIZCTEOSA-N 443.939 1.722 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC(C)C)C1 1517659265 BKOMAZBBTIJFEB-KRWDZBQOSA-N 446.533 1.144 30 10 IDEE COc1cccc(C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)n2nnnc2C)c1 1534876347 BKOFUPYQODLVOV-QFIPXVFZSA-N 431.500 1.994 30 10 IDEE Cn1ccn2c(CCNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)nnc2c1=O 1535148542 UMNMNENVMUONPW-UHFFFAOYSA-N 428.452 1.851 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](CC#N)C(F)(F)F)o1 1538122847 JPYAKXIDPFQFDJ-ZYHUDNBSSA-N 437.396 1.570 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1538993613 OCEZYXBVLHSDMO-MRXNPFEDSA-N 425.489 1.423 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1539266905 VGTBOQJNPWHSTR-IBGZPJMESA-N 431.456 1.017 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)CCOC)CC1 1539462578 XIKPMYZDKGEEHZ-QFIPXVFZSA-N 431.512 1.539 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)CCC(C)C)CC1 1539481587 MMVDSZBEGGVDJK-CVDCTZTESA-N 431.581 1.935 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1540028814 JAMRPFPPYXBOLV-NRFANRHFSA-N 447.561 1.643 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CC)C(=O)C1 1540867504 YKCXGRDNQUHOPJ-UHFFFAOYSA-N 426.477 1.035 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CO)CC1 1540899303 JNHNNEZBPUWTIE-UHFFFAOYSA-N 435.506 1.663 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccco2)C1 1540902138 BJBUPYRZIOLREH-SJLPKXTDSA-N 436.534 1.944 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541197010 QLLZTKPVFULYJH-FUHWJXTLSA-N 429.569 1.653 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1555996326 LVDSSIDYHPXUDT-MRXNPFEDSA-N 427.596 1.426 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCCC1 1587990602 ZDDYKOVBKCICHI-MRXNPFEDSA-N 425.555 1.030 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC2CC2)CC1 1588858088 XQZAPUONERJCDA-UHFFFAOYSA-N 433.603 1.510 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1589007666 OKOFKJRYMFJAEV-MRXNPFEDSA-N 449.602 1.787 30 10 IDEE C=CCN(c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1595070496 BSQLLEIHIXJPEP-OAQYLSRUSA-N 448.545 1.570 30 10 IDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1595461171 OCJPRTPGKJCHSG-INIZCTEOSA-N 434.541 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H]1CSC 1595507134 XJURLTBINBMKTH-KRWDZBQOSA-N 439.549 1.555 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(C(N)=O)c2)C1 1595680097 GDEXGPSYTSZPGF-WMZHIEFXSA-N 441.532 1.859 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(C)=O)CC1 1595830783 GXXJGZHAEWLAGI-QGZVFWFLSA-N 425.555 1.083 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCC3)C2)nnc1[C@@]1(OCC)CCOC1 1595831067 KAUQQSSVAXFFER-HXUWFJFHSA-N 440.566 1.290 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1598017903 DCRMQDCUSQVWJV-UHFFFAOYSA-N 438.532 1.995 30 10 IDEE CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1598255452 ATUNXKKKCNRCAP-LJQANCHMSA-N 429.569 1.611 30 10 IDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(C)COCCO1 1609519017 GUIGMQYHFMEKHV-SELNLUPBSA-N 438.532 1.965 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1611307747 GEYHOQLOIUHCQW-PXNSSMCTSA-N 442.589 1.977 30 10 IDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1611534032 RIAXGXAFVJXYCP-OAQYLSRUSA-N 427.457 1.327 30 10 IDEE CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1613638731 KPBUDYQWMZCZHD-ROUUACIJSA-N 442.568 1.837 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1620111502 WMGBXPFCVKPTSU-KUVFZILYSA-N 425.555 1.278 30 10 IDEE CS(=O)(=O)CCCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1620161784 WOHGXODMKYHXIM-QGZVFWFLSA-N 435.525 1.952 30 10 IDEE CS(=O)(=O)C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccccc1 1623627276 ICJYTPNSMMDFDW-QGZVFWFLSA-N 428.514 1.901 30 10 IDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)C(=O)OC 1626184279 RCMXPMCIRBSTKP-SFHVURJKSA-N 444.509 1.811 30 10 IDEE O=C1C=COC2(CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)C1 1626983087 HCEBPBPMCGRIIC-UHFFFAOYSA-N 448.541 1.504 30 10 IDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1627769385 HJDRDTNTEAZWGD-IBGZPJMESA-N 448.458 1.080 30 10 IDEE COC(=O)c1cnc([C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)s1 1636394036 IJTFYDADIZINFG-TZMCWYRMSA-N 448.526 1.484 30 10 IDEE N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)CC2)c1 1637969363 HGHGVKCYCOVTFW-OAQYLSRUSA-N 441.576 1.908 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)cc1 1638212773 DYGMJHPZGULWMJ-ZDUSSCGKSA-N 443.451 1.797 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cs1 1645486860 JFLXKTIVPKGWIZ-UHFFFAOYSA-N 444.538 1.057 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(COc3ccccc3)cc2)CC1 1666238176 PNEJRLZJXLJZNU-UHFFFAOYSA-N 442.541 1.560 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cn(C2COC2)nn1 1689824417 OYDYZCZWTMCKAA-MRXNPFEDSA-N 434.504 1.816 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1689929670 BOWOWFBVHCIUBO-DLBZAZTESA-N 448.618 1.933 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689988462 PNEHICLKMARERD-LNLFQRSKSA-N 444.561 1.423 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1Cc1ccccc1 1690102914 XJABEYIVXMYARX-LEWJYISDSA-N 436.560 1.980 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCn2cc(Br)cn2)n1 1690108207 RUNAOEUXMRFJDG-UHFFFAOYSA-N 447.341 1.728 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C)n(C)c2=O)CC1 1690131272 WYKCRJAOTMWLGD-UHFFFAOYSA-N 430.556 1.874 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690188718 NXUKTAKRZPHYKN-HAGHYFMRSA-N 449.621 1.525 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC(N)=O)c1 1690265454 PIYLNCGPMWNASG-KRWDZBQOSA-N 447.561 1.495 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690330186 CRJYGGOBNKGCNT-KGLIPLIRSA-N 438.920 1.287 30 10 IDEE C=CCCOCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690512193 PJYRGYWVXKHWMY-FCHUYYIVSA-N 436.553 1.907 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(F)c(F)c1 1690661324 ZJHBLNQEQVOZFB-GFCCVEGCSA-N 442.492 1.105 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1690729524 OVYLAFCGYVURES-RBUKOAKNSA-N 448.593 1.888 30 10 IDEE Cc1n[nH]cc1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1692914079 AILVQGWDEDHUHF-UHFFFAOYSA-N 448.531 1.776 30 10 IDEE C[C@H]1COCCN1CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1693860583 SCDDXBAXWUOACL-SFHVURJKSA-N 438.580 1.890 30 10 IDEE CC[C@H](C)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694162166 WADQTJOSXOXNQT-QQTOIWRRSA-N 441.536 1.375 30 10 IDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705534035 XGUIXERKUDDXQJ-QGZVFWFLSA-N 429.525 1.785 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCc1cnn(C)c1 1705546555 MCVDQRVTQZVUFR-UHFFFAOYSA-N 440.577 1.982 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1705587823 KKJOXDZXFUAZBT-PRHHBONVSA-N 443.548 1.662 30 10 IDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1705626999 QPAONGMXJXCOQZ-UHFFFAOYSA-N 432.488 1.666 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705658424 PMJNERJVQFVWKD-UHFFFAOYSA-N 448.618 1.957 30 10 IDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC2CCOCC2)CC1 1705763244 QYZNWEFQWFPBNZ-INIZCTEOSA-N 427.571 1.630 30 10 IDEE C=CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1705858255 ITVSPBPQCZUYCA-NRFANRHFSA-N 432.546 1.870 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1705908340 NXSKTJJOHHWURN-HNNXBMFYSA-N 445.545 1.881 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)C1[C@H]2CCC[C@H]12 1711046114 PYVAISXIUOHSRU-ROUUACIJSA-N 444.561 1.855 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1711415891 CCLKOZPQHWIPMG-FUHWJXTLSA-N 446.533 1.205 30 10 IDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CCOC1 1711622373 HNXPQGMRZUJSBK-MGPUTAFESA-N 433.534 1.492 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1722399664 DWZAYZYJSNJCGO-KNQAVFIVSA-N 429.590 1.453 30 10 IDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCOCC(F)(F)C(F)F)CC1 1722439807 QHAXYRLMRRNCMB-UHFFFAOYSA-N 440.445 1.936 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1722442060 WRDKEJAQQXJJQO-HYBUGGRVSA-N 439.560 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2Cc2cnnn2C)CC1 1722448347 AGLLXFMVEATMKZ-UHFFFAOYSA-N 436.495 1.151 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722462706 NZUUVTDKEPDZOM-UHFFFAOYSA-N 434.591 1.102 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722628765 AXWUZGPONRYLRV-SJORKVTESA-N 439.582 1.268 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1722661753 QSNILHZWSPDVON-ZDUSSCGKSA-N 426.568 1.231 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1722684899 AASGMCFDSJZWOG-RBSFLKMASA-N 448.524 1.165 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCC(=O)N2CCOCC2)cs1 1725303972 ZKJOOLBWASSRFI-UHFFFAOYSA-N 429.550 1.623 30 10 IDEE COC[C@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1730480034 JQAYUSSAKFXWDQ-CABCVRRESA-N 435.456 1.684 30 10 IDEE COCCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730908120 OMBXQDVSFGDFKW-JVMRMLDLSA-N 446.552 1.635 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(-n2cccn2)c1 1740641400 ITKMSWHEJNVTAQ-UHFFFAOYSA-N 425.500 1.842 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCCC)CC1 1740700783 IEAQIASCHIZILZ-UHFFFAOYSA-N 430.553 1.297 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)C(=O)C1 1740870491 PRNVGPVOCWHALB-UHFFFAOYSA-N 447.561 1.610 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1740930992 WWRFWNJIJNBBQD-UHFFFAOYSA-N 435.488 1.631 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCn1cccn1 1740953849 SQIWIUPPRCITEI-UHFFFAOYSA-N 431.504 1.970 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CC[C@@H](C(F)F)N1CCOCC1 1741635702 ZEUNDTCKQCAFGS-CABCVRRESA-N 427.500 1.511 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747730056 CDDUTZAPOZENMX-NQIIRXRSSA-N 445.545 1.230 30 10 IDEE CN(Cc1nccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1747797521 GIFDBWCCTGVAJW-LJQANCHMSA-N 444.542 1.459 30 10 IDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccnc2OCC(F)F)cn1 1748012870 DKQDBZSMQNRDPJ-OAHLLOKOSA-N 430.419 1.495 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCOCC1 1748252575 CHYGLAKIUKXGFW-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1748815719 SYOVCQWZHAHGFD-SFHVURJKSA-N 447.605 1.869 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)CCOC 1748829095 TWUKYBJIXUZOFR-LJQANCHMSA-N 434.338 1.906 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1748892165 JZLKMDZHKCIWQT-IBGZPJMESA-N 439.541 1.650 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)C(=O)C1 1749119346 QIEDIWNLMBJKFW-ZWOKBUDYSA-N 433.553 1.794 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCN(CC)CCC)CC1 1749303071 DUPHJAIXLAGAGN-SFHVURJKSA-N 440.614 1.499 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1749547345 OVSXAORJFJGLKD-QGZVFWFLSA-N 445.524 1.804 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1749587039 FWOCBJDHIHCJDG-HXUWFJFHSA-N 444.517 1.113 30 10 IDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749668744 DOPNPSFSLWOJFT-IRXDYDNUSA-N 440.552 1.368 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1Cc1ccc(C#N)o1 1750972012 HFVPAZXELKLPTI-OAHLLOKOSA-N 427.490 1.964 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)C1 1751276270 AWNSZBYSXGRNGV-JKIFEVAISA-N 429.493 1.734 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1751827510 DZZQTHFWESVGGD-SJLPKXTDSA-N 441.584 1.362 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1760170472 DUIBSYJZFISSJG-UHFFFAOYSA-N 436.516 1.847 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 1760173996 CCNGHUKTPURNOH-LEWJYISDSA-N 441.601 1.814 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1760180955 NLNKWFRHLZDKKB-WBVHZDCISA-N 438.575 1.739 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1cn(C)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760185640 AGRMOWQTLOYZGC-IBGZPJMESA-N 438.557 1.916 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760188892 DMPANUWPDQTIRX-WIYYLYMNSA-N 431.562 1.298 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)F 1760245462 FGRIQXOWUKOFDJ-UHFFFAOYSA-N 435.431 1.184 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCS2)CC1 1760266160 RCDQQPFKYBPXCA-XMSQKQJNSA-N 447.605 1.792 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(O)c2)CC1 1760268973 UAMWQAALWPMIGI-UHFFFAOYSA-N 447.499 1.463 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@H](C)C1 1760324391 KAEVSXWRLJXTSE-DXIQSLLYSA-N 446.596 1.539 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760347548 JCLIUVNQMUXMEW-NRFANRHFSA-N 437.548 1.325 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760373960 FXJJCKDHYIZYRL-QWHCGFSZSA-N 428.902 1.202 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760516264 KCMWPGZYMNAULS-XYPHTWIQSA-N 433.896 1.935 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1760528719 KRHUKAHSDMNBMM-LAUBAEHRSA-N 429.525 1.307 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccccc2CC1 1760531010 ZSUDBOYTIVWBPS-FPOVZHCZSA-N 425.533 1.910 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1760555746 MCVUPFAYQOLFQZ-SJORKVTESA-N 447.565 1.176 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1OCC[C@H]1C 1761234417 ONQAPQNKEJFLHD-SJLPKXTDSA-N 438.536 1.435 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCc2nccn2C1 1761479419 ORKFDZMJWNIKLK-JKSUJKDBSA-N 446.581 1.477 30 10 IDEE Cc1cccc(OCc2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1762003868 MOELOMDTIGOEHB-UHFFFAOYSA-N 444.517 1.664 30 10 IDEE Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762544230 SNEAHNAMZLWXNU-VHEBQXMUSA-N 429.525 1.196 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCOCC(F)F 1763043609 GSUIQZUEZYHIEK-AWEZNQCLSA-N 432.479 1.889 30 10 IDEE CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1764533004 ZRZHZVDJRUKTKU-UHFFFAOYSA-N 438.532 1.996 30 10 IDEE CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766864703 GZBBLTRLESMEFN-UHFFFAOYSA-N 447.547 1.351 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(OC)C2CC2)C[C@H]1O 1767919557 AERXMGXFQKBTEL-BOCKYXSRSA-N 439.516 1.992 30 10 IDEE COC1(C(F)(F)Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1768150195 JXWPOIQGBBYQSR-CVEARBPZSA-N 441.479 1.732 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1OC 1768531313 LGXBPKLKMZJAAL-MAUKXSAKSA-N 440.504 1.606 30 10 IDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 1849507491 LAJHSFGGZIWACS-IBGZPJMESA-N 426.498 1.786 30 10 IDEE N#C[C@H](c1ccccc1)c1cccc(C(=O)N2CCN(CCn3ncccc3=O)CC2)n1 1852494138 NUJADXOUOUSJIK-HXUWFJFHSA-N 428.496 1.752 30 10 IDEE N#C[C@H]1CC(=O)N(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1852838006 HXBJROFSSYRYGV-SNVBAGLBSA-N 432.285 1.527 30 10 IDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1852890166 ODYDFFRVRVYTQB-AWEZNQCLSA-N 434.946 1.965 30 10 IDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)CC1 1853747190 RIEMHONPDQGJLG-QGZVFWFLSA-N 435.521 1.990 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 1870151325 SOXUVVMXXWLFDV-AWEZNQCLSA-N 446.423 1.837 30 10 IDEE COC(=O)CSc1nncn1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874538946 GCUIOPNEQAXDGO-CIAFOILYSA-N 435.506 1.145 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@H]3C#CCN(C)C)OCC(=O)N2C(C)C)cc1 1889997659 MVIOWGNLJNTAQS-UEVCKROQSA-N 427.545 1.928 30 10 IDEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cs1 1891782208 LVNNXHUEMYIGSM-LBPRGKRZSA-N 430.442 1.543 30 10 IDEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2006227832 HRDDZQUQSHQONX-WFASDCNBSA-N 425.345 1.983 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 2010027163 UTBZRGLJRFFPSG-CABCVRRESA-N 439.509 1.826 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2136172797 PFERRGNOPRJFLD-MJBXVCDLSA-N 426.267 1.600 30 10 IDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1 2214638013 UJAIWMLJTOMFKI-WCXIOVBPSA-N 437.537 1.589 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)n1 2255822240 KHZDXVXVDZJTFZ-UHFFFAOYSA-N 444.288 1.609 30 10 IDEE Cn1nc(C(=O)N2CC(C)(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255838293 DAJNWOXZLSHGDW-UHFFFAOYSA-N 434.346 1.706 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255882102 JEYIUFSIKIBTJP-SNPRPXQTSA-N 430.314 1.513 30 10 IDEE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267119764 ZZYVTOREDDFHAK-AEFFLSMTSA-N 439.369 1.755 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267125895 IVRAXAVVQWSTDQ-RCDICMHDSA-N 446.357 1.849 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)n1 2267189241 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C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(CCCCN3C(=O)OC(C)(C)C)C2)C1=O 1472009559 GLHWVAORVSFLGP-OAQYLSRUSA-N 434.493 1.355 30 10 IDEE N#Cc1cn(CCNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(=O)nc1O 1472603413 HFKODVLSVOJOQQ-QGZVFWFLSA-N 445.479 1.642 30 10 IDEE CN(C)S(=O)(=O)c1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1472617850 DZPLPQJZYKJFHI-UHFFFAOYSA-N 431.470 1.455 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1473411555 CUSJKTHXGQNNRK-MSOLQXFVSA-N 437.585 1.880 30 10 IDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1501194248 GBRQFHZYGPIVKM-UHFFFAOYSA-N 436.520 1.337 30 10 IDEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1503074803 GUENJCWIEANNLL-FQEVSTJZSA-N 432.550 1.923 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1503204171 MTIAXTUUNWDPDI-UHFFFAOYSA-N 439.520 1.026 30 10 IDEE CCS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H](C)C#N 1503286220 WGPUZSLLKBQASG-CYBMUJFWSA-N 426.493 1.682 30 10 IDEE 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N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1521083465 WOBFVALOOMINSK-GJZGRUSLSA-N 447.421 1.210 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc4c(s3)COCC4)CC2)cc1 1538423053 YHKCDUYRQVPGCW-UHFFFAOYSA-N 446.554 1.805 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1539101899 MBQALTWAZBCPOJ-IRXDYDNUSA-N 430.486 1.876 30 10 IDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1539205693 JHYPYQVRAKJGCJ-MVRCGGMCSA-N 436.578 1.912 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O 1539563021 GCEAKMAXSYIMRA-LJQANCHMSA-N 434.591 1.661 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(COC)CCOCC2)CC1 1539874887 QZARQWYTDGXSET-MRXNPFEDSA-N 441.598 1.734 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1540185511 RJROIKMYUQRWQK-UHFFFAOYSA-N 447.517 1.879 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCCOC2)C1 1540897227 DPRNSTPKNKOJRP-HXUWFJFHSA-N 437.566 1.122 30 10 IDEE N#Cc1ccc(NCC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nc1 1542238936 JFNSCKDIPQXXNK-UHFFFAOYSA-N 446.490 1.937 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCOC)C1 1547780368 IEAZGNAESBRCCB-GOSISDBHSA-N 432.550 1.761 30 10 IDEE COCCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369542 RWKRVUNEAIINSD-KRWDZBQOSA-N 439.438 1.702 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)c1 1554797108 UNZBUJZLZCAKSO-IBGZPJMESA-N 430.509 1.269 30 10 IDEE COc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1554907441 CHHCMYFNRPRUMV-HZPDHXFCSA-N 426.477 1.218 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2F)CCO1 1555994578 IZCJQHGMLDKXGW-CQSZACIVSA-N 434.422 1.789 30 10 IDEE C=CCOCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1557518840 XMHILIVPSLKCHR-UHFFFAOYSA-N 438.440 1.752 30 10 IDEE COc1cccc2c1CC[C@]2(CO)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1560104550 YAUYSWVFFPIKCH-WMZHIEFXSA-N 440.569 1.889 30 10 IDEE C=CC(C)(C)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1569012570 CZFVKXXKPZXXMI-UHFFFAOYSA-N 425.526 1.767 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1587766095 OBTBMKQKJKCTDU-SJLPKXTDSA-N 432.550 1.295 30 10 IDEE COC(=O)[C@H](CC1OCCO1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1588008758 MQEIOQUFXVXJNF-QOLBRVKBSA-N 437.493 1.194 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1588055585 XWMBQRINIOKAEN-LQWHRVPQSA-N 438.594 1.596 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSc2ccccc21 1588084732 VWQZXRSVVGCIOW-HOTGVXAUSA-N 429.571 1.851 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 1588194902 VYKFMGUZOKOPMB-UHFFFAOYSA-N 425.308 1.156 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)CC=C)CC1 1588848421 FDGWHFUDWBAPEL-UHFFFAOYSA-N 431.537 1.364 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)[C@@H](C)CC)CC1 1588884723 LKPWXZRSIKEYBL-KRWDZBQOSA-N 431.585 1.112 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2ccnn2)CC1 1595797497 HUENGJDRIWIZLG-GOSISDBHSA-N 449.581 1.629 30 10 IDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C1 1595967603 BZZRZDSVIREIGZ-GCJKJVERSA-N 440.573 1.989 30 10 IDEE CC(=O)N1CCN(CCn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1596297614 SJXOCCOROMCQNC-PGRDOPGGSA-N 447.584 1.221 30 10 IDEE CC(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1598129832 ZTMNDIOJKANQJM-UHFFFAOYSA-N 432.488 1.647 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1611313419 BVJPOOQZZYJCFM-INIZCTEOSA-N 449.606 1.381 30 10 IDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)CC1 1611603963 FBNTZTVWUDIWGH-UHFFFAOYSA-N 449.573 1.154 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1618626263 UEFUJWPFWJWWPG-DCOQFNDQSA-N 429.525 1.064 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 1618852678 CCNHNLIDVAVWLC-YLJYHZDGSA-N 438.532 1.927 30 10 IDEE Cc1c(C#N)c(NC(=O)CN[C@](C)(Cn2cccn2)C(N)=O)n(-c2ccc(F)cc2)c1C 1620657236 MDPICXIEYLBESQ-JOCHJYFZSA-N 437.479 1.774 30 10 IDEE COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1625819789 GTLAHRKYYOMHFM-PKOBYXMFSA-N 449.529 1.186 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1627117359 BMOLZLHUGILABR-UHFFFAOYSA-N 446.916 1.804 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)s1 1633561615 CZWOTXRDWUVXQW-CALCHBBNSA-N 440.635 1.430 30 10 IDEE Cn1cc(CNC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 1633844906 JXSSIYZCEGSYJR-UHFFFAOYSA-N 445.479 1.958 30 10 IDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1=O 1635415478 HXXLYYASPKRDCN-JPYJTQIMSA-N 432.484 1.823 30 10 IDEE COC(=O)c1cnc([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)s1 1636394034 IJTFYDADIZINFG-JSGCOSHPSA-N 448.526 1.484 30 10 IDEE CC(C)O[C@@]1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 1638972232 BQLVDSWIINOYRF-OAQYLSRUSA-N 437.562 1.986 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C#N)c(F)c3)CC2)cc1 1639183057 DQSXBVXTKXKCAY-UHFFFAOYSA-N 430.505 1.629 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCCOC(C)(C)C)CC1 1644500120 GMSVFAGLYULDHA-QGZVFWFLSA-N 436.578 1.574 30 10 IDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C1CCOCC1 1645987337 RKWZQARGVHXCGZ-INIZCTEOSA-N 426.560 1.299 30 10 IDEE C[C@@H](NC(=O)CNC(=O)CN1CCN(c2ccsc2C#N)CC1)c1ccc(F)cc1 1647748608 CIDOCSMQVREAPV-OAHLLOKOSA-N 429.521 1.874 30 10 IDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 1647985792 CWNJTDBENMGYQS-HKUYNNGSSA-N 435.546 1.601 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)C(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1649542235 UWFWQAWQMVSVNE-FMQUCBEESA-N 441.536 1.204 30 10 IDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)OCC 1663611303 PLGWUPPBRDXMCJ-CQSZACIVSA-N 433.866 1.612 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 1675828513 GRDGAFCPNXBALX-AWEZNQCLSA-N 448.467 1.484 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)CC1 1682340043 FSMLIDUMHZKAPI-UHFFFAOYSA-N 440.394 1.278 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1689848771 BGWKMYAEHCQYQM-WMZOPIPTSA-N 429.546 1.692 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1689850334 ABDHZXJPPZNFBZ-WBVHZDCISA-N 425.518 1.267 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1689892837 NZGMLABVEQNTIN-SFHVURJKSA-N 435.550 1.952 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1690001958 WAHXSLSANULHOJ-YADARESESA-N 437.544 1.956 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2ccnc2)c1 1690059532 RKDAQJXEFAJDNP-KRWDZBQOSA-N 441.561 1.641 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690061080 QRNCHEBAWHVURS-XLIONFOSSA-N 439.582 1.060 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)C2CCC2)CC1 1690146258 JLUCPDJIWXTGFP-IBGZPJMESA-N 442.564 1.054 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1690180734 KSECPNKOQQMMKL-UHFFFAOYSA-N 432.594 1.650 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1690345686 ASYAVIBADWGQHC-CABCVRRESA-N 430.958 1.707 30 10 IDEE C=CCCOCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)C1 1690500300 QQKFXMNBIJKTEJ-UHFFFAOYSA-N 447.565 1.076 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1690670032 WTPNCLVGMJFTDD-HKUYNNGSSA-N 437.548 1.242 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690672645 YXVYVJZNTQAUSX-UHFFFAOYSA-N 433.601 1.159 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccccc2OC)CC1 1690678203 OHPVJSIDZWVYRQ-HXUWFJFHSA-N 440.548 1.763 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1690892238 UHQHGFCFOYWMIY-JMLCCBQJSA-N 425.493 1.626 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1691001110 CLMUMXWOPXBOJQ-SJLPKXTDSA-N 425.541 1.274 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694116771 XFAPHIIUXLGGLC-SYWZAZHRSA-N 445.524 1.595 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1694738269 KZQBYHFDVRCFTB-HXUWFJFHSA-N 438.580 1.791 30 10 IDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1695405337 VXLKQPJGBKWZJZ-JIQGDJCJSA-N 443.552 1.671 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1696593221 JZJRAUGONQTGQL-IBGZPJMESA-N 437.548 1.454 30 10 IDEE Cn1cc([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C2)cn1 1696855449 KQIYSTQPRBMQHE-KRWDZBQOSA-N 425.518 1.589 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1705567620 XQUBLKHMDXWLIT-HOTGVXAUSA-N 448.549 1.335 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(N3CCOCC3)n2)CC1 1705649658 DJDSBQXCMLDYOX-UHFFFAOYSA-N 437.548 1.086 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705843397 DMOCPYPZVZDLGI-VQTJNVASSA-N 445.589 1.417 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(F)(F)F 1705900406 BRTGBDKAMCLUCN-UHFFFAOYSA-N 435.410 1.493 30 10 IDEE CC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1706062272 MZTOYXSJKBIPPS-UHFFFAOYSA-N 445.531 1.383 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1709902090 CQYJQEZLIATPIY-FQEVSTJZSA-N 437.548 1.596 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1709942917 JMIKLMQEGSSXBM-CEXWTWQISA-N 445.545 1.370 30 10 IDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1710326967 HLRXOCDBSLHHMG-IIBYNOLFSA-N 425.468 1.469 30 10 IDEE Cn1cnc(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)n1 1711268517 SPDKYTJDYGWSCG-INIZCTEOSA-N 434.277 1.665 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2ccc(-n3cncn3)nc2)c1 1722306433 ACZLCDAEJJEPDT-UHFFFAOYSA-N 441.499 1.921 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2sccc2c1 1722351087 GMEKSAPEELKDHR-KRWDZBQOSA-N 445.570 1.943 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1722362372 SVSBTSOQKLGINH-OAHLLOKOSA-N 443.920 1.459 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722369724 FJZOKHIZOYUQOL-RTBURBONSA-N 446.577 1.742 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1722413960 UAAZSFDMMJTPQE-MRXNPFEDSA-N 434.541 1.524 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC2)n1 1722429010 FOIKJGHXPKJSGF-QGZVFWFLSA-N 432.550 1.073 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1Cc1ccc(C#N)o1 1723962403 YBQCDUQIIWLNAP-SUMWQHHRSA-N 446.489 1.572 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1727229566 FNCQDADMNPLOSV-XMSQKQJNSA-N 444.511 1.972 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1728197798 AHJRXYYSYOCOLG-UHFFFAOYSA-N 431.504 1.460 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1729715077 AVIPLVUHRBMILZ-UHFFFAOYSA-N 435.467 1.209 30 10 IDEE COc1ccccc1N1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1730312338 MYSODMAUJSEDQE-MRCUWXFGSA-N 437.504 1.448 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC(F)F 1740599878 GUNRAHAYOPBTJH-ZDUSSCGKSA-N 427.477 1.802 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nnc(C)s1 1740613245 YYYIAOVMIPJADM-UHFFFAOYSA-N 436.589 1.920 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1740628978 XWXDKOWMPFSPFO-QGZVFWFLSA-N 430.530 1.902 30 10 IDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCS(=O)(=O)C1 1740642947 AIIAASJDLKMCKB-LJQANCHMSA-N 426.542 1.797 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1740706832 FILJVFXBYKYHJK-WIYYLYMNSA-N 436.560 1.781 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccco2)CC1 1740709442 GLLSQRSESDHIIO-HKUYNNGSSA-N 427.505 1.609 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1740716567 UGKGHMZISSUSCM-QGZVFWFLSA-N 443.552 1.846 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 1740857937 FGOPQJACRQCDLD-MRXNPFEDSA-N 434.570 1.361 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)COCCO1 1748790461 YSKQYTKNBOBEML-IIBYNOLFSA-N 435.525 1.461 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1748829778 JPCQBAAGBVDMQZ-VGOFRKELSA-N 431.537 1.916 30 10 IDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1749114515 AIGCMLGRKZQQQO-GVDBMIGSSA-N 445.545 1.848 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C1CC1)C1CC1 1749519015 CRKQEVXJJWHDAL-CRAIPNDOSA-N 438.598 1.249 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 1749677717 IREMLJGANRDWKR-FZKQIMNGSA-N 441.363 1.723 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2OC)C1 1749707486 FUNHSMNEIULHED-JKSUJKDBSA-N 428.493 1.471 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1750034373 POZHCXKKEFOPRT-IBGZPJMESA-N 436.520 1.383 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Br)cn1 1760097227 BWCCTHGSEWREMA-RYUDHWBXSA-N 444.359 1.005 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1760117444 PARHQECJGZYRDK-YJBOKZPZSA-N 429.546 1.436 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nnc(C)s2)CC1 1760256950 XPVNIPWVDZVBKU-UHFFFAOYSA-N 439.545 1.926 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCc2n[nH]c(C)n2)CC1 1760271398 WUJHZCZIEGSDIL-UHFFFAOYSA-N 446.559 1.698 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1760306389 GEGDNGTVLDXKDH-CYBMUJFWSA-N 434.360 1.366 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1760322815 XXLSESJMQNNTNN-MANSERQUSA-N 437.610 1.692 30 10 IDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCCS1(=O)=O 1760457610 ZDSOWCPMDGNTKU-QGZVFWFLSA-N 438.575 1.938 30 10 IDEE CC(C)CN1CCO[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)C1 1761132742 FBZQUUDBMXNGHT-IAGOWNOFSA-N 443.552 1.958 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1767571208 CYHQCTXMOYOWJK-AWEZNQCLSA-N 434.508 1.080 30 10 IDEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1769419064 FBPFKXYUDHVLMN-SFHVURJKSA-N 436.520 1.854 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2[C@@H]2C[C@H]2CF)cc1 1770739190 ZYCWSOHOWFSGOH-MAUKXSAKSA-N 428.468 1.730 30 10 IDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1771367882 BAESSJURXYHVIX-MSOLQXFVSA-N 430.534 1.371 30 10 IDEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1771480323 MICPPRUSQIJBEV-HUUCEWRRSA-N 441.565 1.359 30 10 IDEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1771485318 XLFFIKRYLFEPFJ-LJQANCHMSA-N 444.561 1.823 30 10 IDEE COCCn1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n(C2CC2)c1=O 1848968281 UZNSLEHCWUWQOK-INIZCTEOSA-N 431.518 1.466 30 10 IDEE CCCn1c(C(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1849062442 QKHYWAVIQBCLAA-UHFFFAOYSA-N 440.548 1.289 30 10 IDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cn(C[C@H]3CCOC3)nn2)cc1 1852302333 AABXSNAGZRUINC-QUCCMNQESA-N 441.488 1.123 30 10 IDEE N#C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CCO1 1852748140 BHMHXJBZJPCQKX-IEBWSBKVSA-N 433.917 1.981 30 10 IDEE C[C@@H]1Oc2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)ccc2N(C)C1=O 1853218853 GOFKLKKFMNPMGV-INIZCTEOSA-N 435.484 1.676 30 10 IDEE CS(=O)(=O)C1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1857198376 IEIWGBSUMFSCCO-HNNXBMFYSA-N 437.949 1.904 30 10 IDEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(O)c2)c1 1862700898 REMYCELIKSKEQL-IBGZPJMESA-N 426.425 1.821 30 10 IDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1Cl 1865730051 XCGSKQSLHBFZNI-OAHLLOKOSA-N 442.903 1.633 30 10 IDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N3CCC(O)CC3)ncnc21 1873594613 XSDRSZPAQSOQDY-UHFFFAOYSA-N 428.537 1.031 30 10 IDEE C=CC[C@@H](N)C(=O)Nc1c(I)ncnc1I 1983727603 WKDZASZHZYRMEK-RXMQYKEDSA-N 444.014 1.528 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NCB1OC(C)(C)C(C)(C)O1 1985102449 HGSMDJYJHOKEQN-ZDUSSCGKSA-N 432.348 1.158 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085655436 XGYXWKJUQJEPBA-HUUCEWRRSA-N 433.314 1.690 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2224119672 GNYXOCZZCHCTEJ-OAQYLSRUSA-N 433.314 1.625 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255527930 UDALGWLHURAOIO-CQSZACIVSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2255629218 SGNNIFPCUWICDJ-KBPBESRZSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2255809431 XKAHWNVSRNTUAC-UHFFFAOYSA-N 433.314 1.092 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255817809 BHEQJNHJDJLECG-LSDHHAIUSA-N 436.314 1.536 30 10 IDEE Cc1c(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823799 XYSXCAQUKHDTET-CYBMUJFWSA-N 436.362 1.918 30 10 IDEE Cn1nc(C(=O)N2CC3(CCN3C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255842507 SMKWINSQVOUENC-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE Cn1nc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255842645 VJFHXHRWMWBBPR-AWEZNQCLSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255855008 JOIASCUFHVBCPA-ZIAGYGMSSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063459 VVGTWXLOSBJNNP-ZIAGYGMSSA-N 432.330 1.951 30 10 IDEE Cc1c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2267143621 KPVSIUCRVGMOKA-SFHVURJKSA-N 444.263 1.311 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2267526608 VBZCESZMCFXKQZ-NWDGAFQWSA-N 444.263 1.248 30 10 IDEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2267545918 PCJYTVGSSLGSCC-ZIAGYGMSSA-N 449.361 1.347 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC4(C3)OCCO4)c(F)c2)OC1(C)C 2282311421 IEHLBIBEFZJQMW-UHFFFAOYSA-N 427.303 1.653 30 10 IDEE C#CCn1ncc(NC[C@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2355253259 MJZMVQMQEFTTEJ-YRGRVCCFSA-N 441.326 1.715 30 10 IDEE CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 22060371 JBVVDXJXIDYDMF-RAIKMPMBSA-N 446.540 1.688 30 10 IDEE biogenic,in-vitro CCOC(=O)CSc1nnc(N)n1[C@H](C)C(=O)Nc1c(C#N)cnn1-c1ccccc1 40174120 DDKDPBLSCSFGQR-GFCCVEGCSA-N 440.489 1.773 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccccc2-c2ccnn2C)c1=O 430986460 CMLLLOOPALFJFV-UHFFFAOYSA-N 447.564 1.916 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)nnc1-c1ccco1 447757331 YILSFHPLHNQJRH-IBGZPJMESA-N 430.490 1.407 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@H]1CCOC1 447789047 QMWGODVTGKJHSB-QGZVFWFLSA-N 448.548 1.860 30 10 IDEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCO[C@H](C#N)C2)C1=O 474446339 OUDFCBGHNBBFIM-SQNIBIBYSA-N 428.489 1.604 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1 495213271 WSEKHSDNONWLDO-UHFFFAOYSA-N 437.426 1.738 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCC[C@@H]3CN3CCOCC3)C2=O)cc1 505517080 VOSHNQVKMSMHGC-WOJBJXKFSA-N 439.516 1.477 30 10 IDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 541665299 JOXCXLMNBBMYRD-SFHVURJKSA-N 436.468 1.841 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCOC1 555521265 RQZIOYRDJFZGBB-QZTJIDSGSA-N 441.536 1.632 30 10 IDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669803278 CVOCPNDDVYQJOH-QGZVFWFLSA-N 437.504 1.806 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([C@H]2CCOC2)CC1 670208213 ZHZHIJRKORUNHI-ZWKOTPCHSA-N 439.582 1.440 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(F)cc(F)cc2C1 685550825 BANNMNQUTGXMBJ-KRWDZBQOSA-N 439.488 1.638 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1cc(C#CCO)cs1 703972428 CUZKETVFXRDJQW-UHFFFAOYSA-N 446.550 1.834 30 10 IDEE CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730140186 DQCWTBKJJNNHDW-INIZCTEOSA-N 437.541 1.350 30 10 IDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=S)Nc2ccccc2C#N)CC1 734982605 SERJTWVMGGRNMI-UHFFFAOYSA-N 429.571 1.981 30 10 IDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)s1 736584034 OBAANKZNFKPZIV-CQSZACIVSA-N 432.571 1.190 30 10 IDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 737305729 ISGMUKCNRKEFKJ-ZCXUNETKSA-N 439.497 1.756 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cccc(I)c1 739957452 DHHZFFCBEZZTRM-BUHFOSPRSA-N 447.254 1.096 30 10 IDEE CCOC(=O)Nc1ccc(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1C#N 752303437 BQZPKLMEVYDDTE-UHFFFAOYSA-N 425.449 1.574 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)CCN1C1CC1 758305376 GOZOEZJYCAAHIR-UXHICEINSA-N 432.546 1.790 30 10 IDEE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C#N)cc3OC)CC2)cc1 766247501 HFZYFJZFBLJPHS-UHFFFAOYSA-N 437.500 1.452 30 10 IDEE COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 781516856 CKMKSFBUNVZXFO-ZDUSSCGKSA-N 435.278 1.373 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)n1 789025072 NJZOKMQSOGSFRC-OAQYLSRUSA-N 439.516 1.484 30 10 IDEE COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(F)cc1Cl 795571697 MLMTXOROWSVPAR-UHFFFAOYSA-N 443.844 1.498 30 10 IDEE COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C#N)CC1 802437286 NIZMFERCTKQHRI-UHFFFAOYSA-N 432.550 1.972 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1CCOC1 812384916 KEBPUONTCKEMIN-OAQYLSRUSA-N 446.555 1.345 30 10 IDEE CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1 916272806 GPLMFBZQYJQWGK-UHFFFAOYSA-N 432.321 1.799 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 1084119884 QYGVEWFRDTVGEZ-UHFFFAOYSA-N 439.501 1.633 30 10 IDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccccc3)n2)cc1 1084653135 PBOGAXQFSPBBRS-UHFFFAOYSA-N 431.503 1.629 30 10 IDEE C[C@@]1(c2cccc(CNC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)c2)NC(=O)NC1=O 1117399303 JHVJXYPNQUMULN-HJPURHCSSA-N 435.459 1.895 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1 1125222299 NLPNEYBNMCYALT-HNNXBMFYSA-N 428.489 1.190 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3Cc4cccc(C#N)c4C3)cc2)CC1 1130604367 WTWGPZRYMTWZMH-UHFFFAOYSA-N 438.509 1.567 30 10 IDEE CSc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1C#N 1133500920 NQEVMVSPJVRNJX-UHFFFAOYSA-N 444.538 1.331 30 10 IDEE C[C@@H]1CN(Cc2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1136209326 GJTSWQIGUUTQQM-HZPDHXFCSA-N 425.489 1.136 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(=O)n1CCO 1166714731 XUSPZVGBXCLUMK-JTQLQIEISA-N 425.272 1.367 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 1175515276 VGZOEQDUQGMGGT-UZLBHIALSA-N 442.582 1.072 30 10 IDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cc(C#N)c(=O)c3nc(C)ccc32)C1=O 1189024991 IYXKQMHIDZOUPN-HSZRJFAPSA-N 444.451 1.465 30 10 IDEE COC(=O)[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1198140928 QMIYLBFTQCRBQZ-SFHVURJKSA-N 442.516 1.516 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1286298972 RQCDWGSGPORMPF-RDJZCZTQSA-N 430.530 1.732 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCOCC1 1286456542 RXEOFQALWJVQPM-FXAWDEMLSA-N 440.523 1.729 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc(C)cs2)CC1 1286485522 OVFCONTVMXGSTA-UHFFFAOYSA-N 429.550 1.195 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1286601516 LPPMBUHFDHPSIX-UHFFFAOYSA-N 432.569 1.992 30 10 IDEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1286736763 GWPBWPMEJHUNLM-UHFFFAOYSA-N 429.594 1.953 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286782091 KAJYZQOSKGZDSK-ROUUACIJSA-N 442.476 1.540 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1286787119 OQPZQPOINFWEQA-OAHLLOKOSA-N 425.497 1.131 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286788545 YFCCUICRYOJPJG-QGZVFWFLSA-N 426.521 1.835 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286792757 HBMNFUDCOGAUHH-FGSXEWAUSA-N 432.569 1.294 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C 1286825190 NALPAQZBPXERLW-ROUUACIJSA-N 439.626 1.723 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)cs1 1290411230 ZOWHTJLLZCEALE-UHFFFAOYSA-N 435.579 1.409 30 10 IDEE CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293092664 NJBVYOHQBPDODF-HNENSFHCSA-N 445.524 1.282 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)s1 1295466868 ZRLMJJBPQCLLLD-OAHLLOKOSA-N 428.576 1.799 30 10 IDEE C=CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)C(=O)OCC 1296237030 UEWRDLXAYDKQCH-GJZGRUSLSA-N 444.575 1.911 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1296240645 JRSIEEUXZMGGDI-SJLPKXTDSA-N 429.569 1.511 30 10 IDEE CNS(=O)(=O)c1ccc(O)c(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 1298863645 ASALUJJJMLUCCS-UHFFFAOYSA-N 437.518 1.889 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1300380998 LOFNNYRLWPZCHM-BXWFABGCSA-N 425.555 1.076 30 10 IDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300503579 DWSKYBZBWBPEBB-QGZVFWFLSA-N 436.509 1.659 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC(F)(F)C2)CC1 1300710710 JBQROCJXWQATKA-HNNXBMFYSA-N 436.507 1.818 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)CC)CC1 1300712599 UTHOXPBKXPJVKB-HNNXBMFYSA-N 438.598 1.290 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCCOC)C1 1300843704 HYUUBVSXMPGNHO-KGLIPLIRSA-N 428.331 1.770 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)on1 1300875290 OQFVYCCZBJIQAN-UXLLHSPISA-N 438.554 1.802 30 10 IDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OCCOC)C1 1301026899 DJFUDRHCNRSLHY-KRWDZBQOSA-N 430.900 1.915 30 10 IDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301510453 XYZMMUJOZXQGKQ-SJORKVTESA-N 427.461 1.316 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1301585624 NEVUSZDFHJDVAW-UHFFFAOYSA-N 447.536 1.744 30 10 IDEE COCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1301614035 UYCZRRZXIVJNHP-QGZVFWFLSA-N 438.598 1.279 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(N(C)C)CCCCC1 1301951670 CXOIHMNDPVOVKY-HOTGVXAUSA-N 425.603 1.749 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1302193085 GTBQIRFUQUWPFN-INIZCTEOSA-N 428.493 1.516 30 10 IDEE CC(C)(C)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1302203047 NGOVTKQRMYRGSF-FMQUCBEESA-N 427.553 1.678 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCOCC2)CCOC1 1303503294 CDWWGPUYRRJLLI-AVRDEDQJSA-N 448.568 1.158 30 10 IDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1303643945 DTCGZZYIRKEJIA-PBHICJAKSA-N 430.534 1.484 30 10 IDEE O=C(CCCN1C(=O)CNC1=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304253007 UKIQSOWMQXFZQW-OCAPTIKFSA-N 437.287 1.948 30 10 IDEE N#CCCN(CCN1CCOCC1)Cc1csc(CN2C(=O)c3ccccc3C2=O)n1 1307514505 OMNTYHVZTHFMHG-UHFFFAOYSA-N 439.541 1.987 30 10 IDEE COc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)cc1 1315521706 AGKTYPSNBQSHDT-INIZCTEOSA-N 442.520 1.886 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1316198553 DCKXPXQRJKYMHZ-QFQWUVHXSA-N 444.536 1.907 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1358985225 SQEBCNUVPGBKJU-HNNXBMFYSA-N 446.508 1.129 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1 1359024000 CMAZVCBNRKOVTE-SFHVURJKSA-N 432.546 1.713 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359059096 AQYKGAQQYORLGB-INIZCTEOSA-N 434.591 1.100 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359296288 DNMLJMNJTXZUFU-IBGZPJMESA-N 433.516 1.710 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)c2ccccc2)C1 1359318871 NZKHJCNOKHBCJB-QGZVFWFLSA-N 440.529 1.990 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1359319179 UJTHBGLGCIHNCA-WMZOPIPTSA-N 432.550 1.403 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359328506 GEHUXPOHPXYBJO-HXUWFJFHSA-N 428.518 1.119 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCOCC2)nc1 1360192755 FHQJMWGROWWFNE-UHFFFAOYSA-N 438.536 1.436 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)cc1 1453211463 HKUACQTUELRIMQ-UHFFFAOYSA-N 447.538 1.386 30 10 IDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OCC 1455240620 COOMNBKOYLPHOB-JTQLQIEISA-N 439.353 1.803 30 10 IDEE CN(C)S(=O)(=O)N(C)CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 1464400667 ORDFYEPDPXRIKP-UHFFFAOYSA-N 426.549 1.379 30 10 IDEE Cc1cccc(-c2nnc(S)n2CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1472625943 QDVDLLCNOJGCMD-HNAYVOBHSA-N 431.543 1.329 30 10 IDEE COC(=O)C1=NOC2(CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)C1 1475218067 DYPJGWWXLPBJPO-UHFFFAOYSA-N 442.291 1.793 30 10 IDEE C=CCCC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OC 1475689680 XLNUNLMTIRVJSS-HNNXBMFYSA-N 430.548 1.647 30 10 IDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1496309021 OFHXJBOYLMEYBY-QGZVFWFLSA-N 437.548 1.378 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(C)CCC1 1503625720 SSRRHJVVOISVAU-UHFFFAOYSA-N 432.550 1.904 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1503694411 FYJUHGFLCJMLEX-KRWDZBQOSA-N 436.520 1.145 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1503851543 YTWVZUPOZWFIRX-MJWGMMHASA-N 444.536 1.783 30 10 IDEE N#Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CO)CC2)o1 1505317297 QJYAUDORPOVZNN-UHFFFAOYSA-N 426.502 1.991 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1507672169 VMFZNSAHVGDWKN-QGZVFWFLSA-N 444.536 1.138 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccco2)N(CC)CC)CC1 1507723583 NNYDPQJGRFZBJP-RTBURBONSA-N 439.564 1.661 30 10 IDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[S@](=O)CC)CC1 1507726916 MKQVZSJTEXOTIH-SSEXGKCCSA-N 429.590 1.998 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1507783449 CTOSOOKMQFGNPG-QWHCGFSZSA-N 446.371 1.051 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCN(CC)C2)CC1 1507884906 NGOYNSUWJFZJFR-ZWKOTPCHSA-N 438.598 1.109 30 10 IDEE C=CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1)C1CC1 1507988691 OXEZYRYYOZPPKG-UHFFFAOYSA-N 427.505 1.976 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)C(C)C 1508011023 JZFGXTXHHDYHDS-OALUTQOASA-N 429.569 1.758 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cscn2)CC1 1508081760 ORADTAOISVKXJS-UHFFFAOYSA-N 426.550 1.365 30 10 IDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@H]1C 1508107088 AGRCZKRCHGPMCF-QGZVFWFLSA-N 438.532 1.681 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1508144776 GRLDDQQOPCCSCH-UHFFFAOYSA-N 425.599 1.378 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)c1 1510596540 GNKIUKJXAPZAAM-GOSISDBHSA-N 445.545 1.780 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1 1518336369 QFJCELJFCJQBLL-LJQANCHMSA-N 442.520 1.757 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(F)F 1519445806 GFKWROKYKZDKTO-UAGQMJEPSA-N 440.495 1.808 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CCN1S(C)(=O)=O 1520760735 DCSOHOZPJQCBKP-WMZOPIPTSA-N 444.561 1.713 30 10 IDEE N#C[C@@]12CN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1538539702 KZOONNLRSFHGMV-YEWWUXTCSA-N 439.946 1.252 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1539043156 NRVUDVOTXLKWSZ-DQRAZIAOSA-N 447.499 1.423 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1539139060 ADAOGRMAUDPEJI-QHCPKHFHSA-N 444.580 1.088 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539220937 XFZZXXXDVUXTLR-CVEARBPZSA-N 435.594 1.408 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1539224129 CNRBXNJJFVPPRK-DENIHFKCSA-N 446.548 1.904 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539273492 UXIBVOAYJAJEDK-KRWDZBQOSA-N 428.537 1.634 30 10 IDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(OC)CCOC1 1539347607 WTSLXISQIXSWNP-NRFANRHFSA-N 446.577 1.812 30 10 IDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1CC(=O)N1CCOCC1 1539420490 FEFNMVLONLFQEJ-UHFFFAOYSA-N 427.505 1.110 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)CC1 1539453153 FFXBUNZIWYIEIH-UHFFFAOYSA-N 445.527 1.175 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539462476 VJIYEEDRHMLNNS-JOCHJYFZSA-N 442.951 1.744 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539632394 RGAXTZLUAAMUJG-XLIONFOSSA-N 444.580 1.385 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539688778 OCLCEZZBAINFCF-FUHWJXTLSA-N 429.546 1.982 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCO[C@H]2CCOC2)CC1 1539874004 ITZCDQHEPVRLSV-WBVHZDCISA-N 427.571 1.486 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1540033566 LPRRTAOLZIMUSC-QZTJIDSGSA-N 440.552 1.717 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(C(N)=O)nc2)CCOC1 1541105232 GOACXANSTQAEGQ-VFNWGFHPSA-N 427.509 1.457 30 10 IDEE CC(C)Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541431424 UZIBSLCVNIMGIK-VXPUYCOJSA-N 446.552 1.838 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)O1 1546046106 WUPHXIGACJSYCP-NJNPRVFISA-N 429.569 1.941 30 10 IDEE COCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1555439980 HYTRLSANJDLYFY-HZPDHXFCSA-N 440.570 1.024 30 10 IDEE COCCOCCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555718074 YWRWPICAYHBVFN-MRXNPFEDSA-N 426.525 1.585 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F 1556782603 MOSRBLXSKXEWGN-OAHLLOKOSA-N 425.413 1.876 30 10 IDEE COC(=O)c1ccc(N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)c(C#N)n1 1559229119 AJDVJMIAUZOYOG-AWEZNQCLSA-N 428.489 1.899 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)C1=O 1560184238 IKMRDHZRCYLCTK-QFIPXVFZSA-N 426.473 1.213 30 10 IDEE CN1CCN(CC2(C)CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CC1 1567408555 HGIQWWDIONORTD-UHFFFAOYSA-N 436.553 1.613 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(N2CCCCC2)c1 1587563175 YOKXJGPJZAPVOZ-IRXDYDNUSA-N 445.593 1.780 30 10 IDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1587749087 ANJDFZOEOOIVKA-UHFFFAOYSA-N 449.563 1.862 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)CN1CCCC1 1587932036 JUDLDEWLOLZIAR-SFHVURJKSA-N 444.605 1.997 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588112669 AABLAWXJBJZLTC-GOSISDBHSA-N 448.552 1.848 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CN2CCCC2)cc1 1588265491 BNRMPPNUJVYURT-SFHVURJKSA-N 444.605 1.992 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1589069445 KZTUEOFURDZGQE-SJORKVTESA-N 439.607 1.153 30 10 IDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1595251329 RFRGSTNOZVVITF-INIZCTEOSA-N 430.534 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1Nc1cnn(C)c1 1595824245 ZUTKYXWYFAMMNY-UHFFFAOYSA-N 435.535 1.348 30 10 IDEE N#C[C@]12CN(C(=O)C3(CNC(=O)OCc4ccccc4)CCCC3)C[C@H]1CS(=O)(=O)C2 1598567588 LYXQRULQQHZAIV-PGRDOPGGSA-N 445.541 1.870 30 10 IDEE CCCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1614308711 PRQXFRBEZFMOMG-INIZCTEOSA-N 439.520 1.799 30 10 IDEE N#Cc1cc2c(n(CC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c1=O)CCC2 1615015415 CTYISFAPPCLTCR-INIZCTEOSA-N 431.539 1.486 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1618846911 BQOFMHWHMFWAPO-QGZVFWFLSA-N 448.549 1.141 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCC2)c1 1620150233 HYSKHNNFOYONOG-HXUWFJFHSA-N 432.525 1.886 30 10 IDEE CNS(=O)(=O)NCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 1626095473 GVSHFLKIBRCPLN-UHFFFAOYSA-N 433.437 1.617 30 10 IDEE Cc1nnc(N2CCN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)CC2)n1C 1628168526 UORUKXCOBFJQHU-PSCUFVCCSA-N 443.552 1.559 30 10 IDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1629976627 QQKGMRJESOLMLC-UHFFFAOYSA-N 443.529 1.332 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1636709094 JLAOCWORTARBGL-QZTJIDSGSA-N 445.004 1.935 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ccc(F)cc2)C1=O 1638102491 OSZSGJJJEABHFN-QGZVFWFLSA-N 444.488 1.566 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)cc1 1640495952 LCRKYCNSVNDIBQ-CYBMUJFWSA-N 437.319 1.302 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCC#C[Si](C)(C)C)c2)CC1 1641159511 YVIATZXZIMAVSR-UHFFFAOYSA-N 435.622 1.540 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1641890740 QFEKEHRPYDQJHQ-FQEVSTJZSA-N 429.498 1.835 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)s1 1644882920 ZHMQAPQWGAEJFO-CQSZACIVSA-N 438.531 1.615 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1645906190 GAWYSJWQLUSORJ-NSHDSACASA-N 432.786 1.633 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1689937171 QWTGJVAGSFEBRA-MRXNPFEDSA-N 444.561 1.659 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(=O)(=O)CC 1690005280 YQKNSGIJBVRNJE-UHFFFAOYSA-N 437.529 1.347 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2C[C@@H]2C)CC1 1690115144 UKDOFBYGNCLNDI-PKOBYXMFSA-N 442.589 1.607 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1690413577 YNRBONDGEPLMID-UHFFFAOYSA-N 431.562 1.606 30 10 IDEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1)N(C)C 1692720618 DVLMVEZOAYABGA-GOSISDBHSA-N 436.564 1.549 30 10 IDEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1696386301 LIDKEUOZAXBXGX-KSSFIOAISA-N 428.534 1.537 30 10 IDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)c1 1697514217 CWOGDMYUVORKEG-IBGZPJMESA-N 437.497 1.457 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(OCC(N)=O)c1 1705498364 VEVAUEKSAMWTDK-KRWDZBQOSA-N 443.511 1.887 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563674 CEQTUCIXNMNEIV-QGZVFWFLSA-N 444.557 1.886 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1705632075 HJSPHJAJWWQSIX-QGZVFWFLSA-N 442.530 1.984 30 10 IDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705654878 WJGFPWVNUUCUFQ-UHFFFAOYSA-N 437.573 1.393 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)CC1 1705705547 ITXFFJULWAGOBN-KNQAVFIVSA-N 446.596 1.540 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705830171 KMSIHHDCJIYXFT-SFHVURJKSA-N 448.568 1.286 30 10 IDEE COc1cc2c(cc1OC)CN(c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O)CC2 1711709858 LUDPNGZHELUDLV-MRCUWXFGSA-N 438.488 1.693 30 10 IDEE COc1ccc(OC)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1711870343 GCOUANDSDQRUKC-CQSZACIVSA-N 448.549 1.694 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC[C@H]1C 1712070882 HPXPMULLTSSRLC-APWZRJJASA-N 447.561 1.739 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@]2(O)CCOC2)c1 1722305862 VTTUXKOLJWYJTJ-HSZRJFAPSA-N 432.484 1.548 30 10 IDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(OCCOC)CCOCC1 1722349502 PVAFVQXXAOCASB-UHFFFAOYSA-N 442.516 1.998 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC(=O)N(CCOC)C1 1722405450 NJHBZGPQUVGWOW-INIZCTEOSA-N 426.477 1.808 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCc2nccs2)CC1 1722449842 QWIFTRTYYPGYCM-UHFFFAOYSA-N 441.561 1.066 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1722656890 LBMLIZHTWMGKPY-WZONZLPQSA-N 433.516 1.772 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722693488 PRDVRRZLAUENBQ-INIZCTEOSA-N 441.492 1.508 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722696578 CBVQXJUMWLQQMZ-KRWDZBQOSA-N 425.537 1.644 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2c(ccnc2O)C1 1722728716 XQNHDLKWBNKXKE-INIZCTEOSA-N 433.534 1.436 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1723056182 ZPNZMDPCCUFWOC-UHFFFAOYSA-N 440.548 1.910 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1723946412 XTBDZAAPMULIRD-GKCIPKSASA-N 449.581 1.029 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1727217639 ZXQNPZDXCVWFOT-STGLLQLASA-N 429.525 1.712 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)CCOC1 1728818510 QWYYSIRWIHMKSY-LVCYWYKZSA-N 435.525 1.102 30 10 IDEE COCCOCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1730913710 IVUSILFBJGZDMZ-IBGZPJMESA-N 442.520 1.929 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCOCCCO)CC2)nc1 1731182559 JRZLAKAUPRSEEL-IBGZPJMESA-N 441.536 1.164 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCCC)c1 1740552805 PFBWINZZNBIGRO-VQIMIIECSA-N 443.573 1.826 30 10 IDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NCCC)CC1 1740694210 CGWBPQMTLHPWEM-UHFFFAOYSA-N 448.531 1.265 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1740970385 KFKHPFFDDOTFSY-WOJBJXKFSA-N 446.596 1.652 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)C1 1740982577 VDXDZNHUMDRRHH-RBSFLKMASA-N 432.493 1.386 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1 1740986751 GPWUQDLTNRFGDZ-AWEZNQCLSA-N 433.600 1.116 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1741801397 AGJHUVCVHPPLFL-ZACQAIPSSA-N 447.565 1.319 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2N(C)CCCC2(C)C)n1 1742712534 FEAKPDJDRMIMTM-RTBURBONSA-N 426.569 1.989 30 10 IDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1743173722 AHYFXXBYCMATIS-YWZLYKJASA-N 431.518 1.125 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746459265 CHWKTIXBLZAMJR-UGKGYDQZSA-N 448.575 1.819 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1748672088 QFEYFXYVNOONFX-HOTGVXAUSA-N 427.571 1.274 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1748879994 IZFVXOGQBZVUKP-IBGZPJMESA-N 435.528 1.912 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1748887863 HRXLMGMXBMHPEG-IBGZPJMESA-N 439.541 1.285 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1748951390 UONFNLYJQWALRL-UONOGXRCSA-N 431.509 1.410 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCCC2)CC1 1748978226 ILBWZNBFPQEHHW-HSZRJFAPSA-N 430.597 1.561 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749031987 QBLPNSXOEIEYQW-MRXNPFEDSA-N 434.591 1.472 30 10 IDEE C=CCn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749646375 PNVGBIAPEBNQIO-JOCHJYFZSA-N 432.569 1.251 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1749658318 NMAMGIJOUPWLEK-HXUWFJFHSA-N 432.912 1.611 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1750078036 YVCSRQYKHHFUSO-PMPSAXMXSA-N 431.518 1.616 30 10 IDEE Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1751917889 OHDOYLVLKIOBBN-IGGDJGDASA-N 429.525 1.102 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760187028 SPXKPWUBXYCWGL-GOSISDBHSA-N 437.610 1.214 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1760189365 OQUQTVGHSNQEHY-SFHVURJKSA-N 446.577 1.512 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCOCC1 1760207774 WMRPKVQCHNWDID-UHFFFAOYSA-N 440.573 1.453 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760504543 SXIPBQYINHKPQK-IBGZPJMESA-N 440.953 1.787 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760555742 MCRFPKFIQAQUDQ-HNNXBMFYSA-N 425.555 1.813 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1761366266 WLPMYBSPMPAIBB-GXYOHSSGSA-N 434.541 1.939 30 10 IDEE CCCNC(=O)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1764584775 VNJBXBHEOAUEAR-XMSQKQJNSA-N 445.568 1.021 30 10 IDEE CC[C@@H]1C[C@H](C)CN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1765044407 GVVYPUAAHAOIMH-XSAFGROZSA-N 441.536 1.665 30 10 IDEE CNC(=O)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 1769322274 DJNYZSKMBBEUMO-CQSZACIVSA-N 433.310 1.881 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1770205168 YEEPBYGJMFVCPY-ZJBJCVSYSA-N 439.520 1.674 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC[C@@H]1C 1770634651 VIQYXPIYHJRLGZ-QFBILLFUSA-N 438.532 1.960 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1771273108 DVJXHGMPLZVJOU-FQEVSTJZSA-N 437.504 1.582 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1772567353 USGLWOPRCHPCCD-GOSISDBHSA-N 426.521 1.470 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](COCC(=O)N3Cc3ccccc3)C2)cc1 1849676369 ZPETXMFLBWZWPY-TZIWHRDSSA-N 425.510 1.996 30 10 IDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@@H]1CC(=O)N(C2CCN(C)CC2)C1 1852834896 SRSSPDRDSNUFDE-MRXNPFEDSA-N 429.521 1.421 30 10 IDEE C[C@@H]1C(=O)N(C(=O)Cc2cccnc2Cl)CCN1S(=O)(=O)c1ccccc1C#N 1855739646 AVQKLVJTYOYVTQ-CYBMUJFWSA-N 432.889 1.597 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cccc4ncccc34)C2)CC1 1857041631 KHGJAMLZGYNEOA-INIZCTEOSA-N 426.498 1.789 30 10 IDEE CCCCCCCCN1C[C@H](C(=O)N2CCN(CC(=O)NCCN(C)C)CC2)CC1=O 1873016224 KXMPAZIOAVYEPO-HXUWFJFHSA-N 437.629 1.017 30 10 IDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874273558 DBFGMVWRQCDGGK-FCQRQVBFSA-N 445.505 1.760 30 10 IDEE C#CCN(CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)C(=O)OC(C)(C)C 1909079009 NMFAJAJSUZACFK-HUUCEWRRSA-N 439.509 1.826 30 10 IDEE C[C@@H](NC(=O)C#CCNC(=O)OC(C)(C)C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1984930248 ZUEDCLVOWQDYME-OAHLLOKOSA-N 425.526 1.781 30 10 IDEE C[C@H](c1nscc1C#CCN)N(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2130022068 PVAANKUUVNEFSK-CYBMUJFWSA-N 432.527 1.072 30 10 IDEE CC(C)(C)OC(=O)N(CCO)CC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248403319 FZZPZZILVPJHHM-UHFFFAOYSA-N 440.371 1.893 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248442128 JDCINEIGHLAHQI-OAHLLOKOSA-N 440.371 1.939 30 10 IDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 2255604959 OEQARPRTULGVNN-UONOGXRCSA-N 437.346 1.840 30 10 IDEE Cc1cnc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2255612399 QMHMUNAERPCXRO-AWEZNQCLSA-N 435.330 1.305 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2256621481 VIRSKLSVLSAUCC-UHFFFAOYSA-N 433.314 1.691 30 10 IDEE C=CCCSCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258168621 KNPNGQCDECRFPR-INIZCTEOSA-N 430.548 1.683 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1COCCN1Cc1ccccc1 2267181421 SAKHEAQNIIKZJH-GOSISDBHSA-N 440.353 1.350 30 10 IDEE CON(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2267603200 YWNGBNBMUGVOJL-AWEZNQCLSA-N 448.329 1.789 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269047572 VDCHMSSQLDOEPM-RHSMWYFYSA-N 441.293 1.564 30 10 IDEE C[C@H](F)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284399099 GKIJTWJCBOCKMA-OIBJUYFYSA-N 427.712 1.790 30 10 IDEE CCCCOc1c(OC)cc(C=NNC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 2323044332 MJKJYHSKSVVQIK-UHFFFAOYSA-N 439.538 1.913 30 10 IDEE COc1nc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)ccc1B1OC(C)(C)C(C)(C)O1 2339786749 QWBSMEUBQFPLHD-HNNXBMFYSA-N 449.357 1.807 30 10 IDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccccc3F)n2N)cc1 20528143 WQQSQJCNEHERQE-FOKLQQMPSA-N 429.481 1.994 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@@H]1CCCO1 477319102 YXAXPMFXPNBPJK-SFHVURJKSA-N 443.544 1.956 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)ccc1Cl 504059799 MSAHTVBOCSEONZ-INIZCTEOSA-N 443.956 1.832 30 10 IDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 505970851 LJPHRGZRHUYTBF-WIYYLYMNSA-N 430.549 1.647 30 10 IDEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508816735 KPPFCYHQUUSRTA-QGZVFWFLSA-N 435.550 1.972 30 10 IDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 508889562 SYNLHAXQPKCGRQ-JKSUJKDBSA-N 447.565 1.633 30 10 IDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 514314513 XCPFDMJCZQPYBM-UHFFFAOYSA-N 438.532 1.994 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 517305065 ZYTDBOGKEFPQBH-ZIAGYGMSSA-N 430.486 1.377 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 518799800 UDQQKAQUBHBSKJ-RTBURBONSA-N 432.569 1.465 30 10 IDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 522386483 VSMKPFUEJCJEKD-UHFFFAOYSA-N 446.598 1.207 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)CC1 523842726 OAFMQMHGIXVXKH-KRWDZBQOSA-N 445.589 1.245 30 10 IDEE N#Cc1ccc(OCCNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 538386752 JKNIALQPFBBYAB-SFTDATJTSA-N 433.512 1.835 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(C)C)c1=O 542727262 GGYIXAZVFOCGQC-UHFFFAOYSA-N 440.525 1.908 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)n1 545466644 BRGNLGLXUYQCCU-UHFFFAOYSA-N 425.493 1.040 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)CC2)n1 545973391 RHBCXSQMXVQDLY-UHFFFAOYSA-N 434.500 1.457 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3c3nccs3)CC2)cc1 547298093 AFRZHFZSOXVMMD-KRWDZBQOSA-N 431.543 1.517 30 10 IDEE COCc1ccccc1CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 557790168 HURKSUWYIPHIIR-UHFFFAOYSA-N 449.554 1.541 30 10 IDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)CC3)CC1 559238387 AYTDKRHZYYGXAN-HNNXBMFYSA-N 440.935 1.788 30 10 IDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 561530479 RZAHXKXRBVYRIQ-UHFFFAOYSA-N 448.364 1.556 30 10 IDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@@H]1CCCO1 603799638 QXQLJWGPPJBBKN-ZDUSSCGKSA-N 447.919 1.663 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CSc3nc(O)cc(C(F)(F)F)n3)CC2)o1 609852089 WXCBXOCUXRSPAD-UHFFFAOYSA-N 428.396 1.810 30 10 IDEE N#Cc1c(NCCCN2CCN(c3ccc(F)cc3)CC2)ncnc1N1CCOCC1 675017430 CFPMKCUPZUSDRO-UHFFFAOYSA-N 425.512 1.948 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)c1 676851777 CSCWVXWLHWXVDF-QGZVFWFLSA-N 428.470 1.664 30 10 IDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCCNc2ncccc2C#N)C1 727777945 ROHPKAWZXJHTLA-INIZCTEOSA-N 433.490 1.614 30 10 IDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730143553 UPZJKTAHBBFNHF-FUHWJXTLSA-N 447.605 1.827 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730144229 YWHAZXQTJGHOSW-SFHVURJKSA-N 433.578 1.439 30 10 IDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746742995 FVTIRGZXHWEMDB-LEDSTXDGSA-N 440.500 1.448 30 10 IDEE COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1C#N 746926816 QAWZPDVRGWDVHO-UHFFFAOYSA-N 431.518 1.624 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 753168017 WWKKBUULWLTNJJ-AXNLMSORSA-N 435.488 1.887 30 10 IDEE CCCC[C@H](ON=C(C)C)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 754530476 VATNFJRLRVQEIL-RXVVDRJESA-N 446.596 1.921 30 10 IDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 779201214 DVFSMUDNKOBKDO-IBGZPJMESA-N 445.497 1.836 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(CCCn2ccnn2)C1=O 784122993 AFOHWIYCTNVVTO-INIZCTEOSA-N 432.506 1.453 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCc2c(Cl)cccc2C1 785725084 LKBQHDXFPYMCDY-UHFFFAOYSA-N 432.933 1.553 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)n1 788694999 AOFZTBUDZQERHD-FQEVSTJZSA-N 436.578 1.476 30 10 IDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)n1 789322454 JJCZXANKQXNUQV-QUCCMNQESA-N 426.517 1.652 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CC[C@@]3(CNC(=O)C3)C2)c(C(=O)OCC)c1C 789358792 VOGFGSDBIDHEGA-OAQYLSRUSA-N 449.529 1.727 30 10 IDEE C=CC[C@@]1(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 790299110 IQGCJHDTUDRLIT-YWZLYKJASA-N 443.566 1.094 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(S(N)(=O)=O)ccc2F)cc1 798323640 YTIKKRDTGHVPAM-MRXNPFEDSA-N 434.474 1.499 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 800787654 KOESSMMLDLYWIJ-IBGZPJMESA-N 446.577 1.432 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 915616942 ASGMZTZGMNLGFR-FQEVSTJZSA-N 428.533 1.624 30 10 IDEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCS(=O)(=O)C1 918754696 BSCHEIFUQKLDPS-HNNXBMFYSA-N 444.600 1.114 30 10 IDEE CN1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)N(C(=O)OC(C)(C)C)CC1=O 1126038331 MXCKZRFMXFWGCF-RTBURBONSA-N 441.532 1.301 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccoc2CN2c3ccccc3C[C@H]2C)CC1 1152967504 JLPWDTVUIVTKCM-QGZVFWFLSA-N 442.541 1.456 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@]23COCCN2C(=O)OC3)C1 1174568928 HAAQELCIXHWPNV-GOSISDBHSA-N 435.278 1.094 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)C2)c(=O)nc1O 1180990407 REUSGDRBKIEWJI-UHFFFAOYSA-N 448.336 1.861 30 10 IDEE COC(=O)C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 1230985183 QIHKBZCRFPSNAK-QGZVFWFLSA-N 434.518 1.163 30 10 IDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2cccc(OCC#N)c2)C1=O 1253295446 MSTNNGWTECLFLG-QHCPKHFHSA-N 436.468 1.989 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1256226698 JVAIJIJNPJDPLF-HXUWFJFHSA-N 448.483 1.268 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1286350292 YRBQADFRTZQZQL-HOTGVXAUSA-N 425.555 1.028 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1286393195 PHXBZUSROHBNMR-LJQANCHMSA-N 442.589 1.375 30 10 IDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286504278 PJZBKXSGJCSBOZ-SFHVURJKSA-N 441.605 1.773 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286563977 WVTUZTMMMLAOAU-YJBOKZPZSA-N 447.565 1.234 30 10 IDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286638772 MIDIVZMTQUMPIE-PXNSSMCTSA-N 439.582 1.368 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286689152 XKLPIGMLRREZMR-GOSISDBHSA-N 445.593 1.962 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286784335 FAQPFWTUAUCJNR-JKSUJKDBSA-N 426.521 1.895 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1287045923 HUEVNVWSTXSOLL-SFHVURJKSA-N 435.532 1.933 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1288715272 UDVWEWNLTMZJLC-UYAOXDASSA-N 440.548 1.922 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1291294196 GHZMVMCCSPPECD-LPHOPBHVSA-N 443.577 1.381 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2ccnn2)CC1 1294879824 DZDRQYIHRWWOKP-UHFFFAOYSA-N 433.520 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1297336597 ZPLIWCJFXKAZCX-KRWDZBQOSA-N 428.489 1.147 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1300382579 WHNOUVRVYLLXND-QGZVFWFLSA-N 439.516 1.998 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300488037 OGIKKHXDPCTYSD-IBGZPJMESA-N 430.578 1.697 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300491896 JMFKXUVTSGAYAK-XMTFNYHQSA-N 444.561 1.565 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1300495117 CXJVBUNHYLLSSQ-RBUKOAKNSA-N 429.546 1.551 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1300512969 PAWKVEBEHPVXPF-NFBKMPQASA-N 428.581 1.029 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCCC1 1300671270 GUPGXGKTRHSYMN-LJQANCHMSA-N 439.516 1.922 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(O)(CC)CC 1300914070 BAPIPXOPQSUMAJ-MRXNPFEDSA-N 429.587 1.565 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301197464 UIERSWRVYZMALL-IAGOWNOFSA-N 437.570 1.265 30 10 IDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(OC)c1 1301497081 NRAHAZMIEGVYKX-UHFFFAOYSA-N 438.488 1.953 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301514568 KNHJMUZQDZMVDP-WMLDXEAASA-N 428.468 1.013 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N2CCOCC2)C1 1301568075 NGEKOBUZZXMTQQ-NLWGTHIKSA-N 447.580 1.837 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301593612 QUNHBFQHLVGXNW-QZTJIDSGSA-N 436.582 1.744 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCCO1 1303876956 RCZQFJKYWAPJDN-AITUJVMLSA-N 444.561 1.811 30 10 IDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)c1 1304292644 VNTVOEUJLVIMLV-LJQANCHMSA-N 428.537 1.781 30 10 IDEE Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1304721382 HDPUHHNPIDCFMJ-UHFFFAOYSA-N 436.520 1.804 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)nn1 1309749232 ABNRZWXIBUNXPL-UHFFFAOYSA-N 429.296 1.882 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1358886054 WWHFLIVTRXKAHQ-MSOLQXFVSA-N 449.559 1.854 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358961092 RJEDFRLYMCTTGE-UTKZUKDTSA-N 446.577 1.549 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCCC1(C)C 1359018576 VLBBUSDZTPFHGW-QFIPXVFZSA-N 426.521 1.953 30 10 IDEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359186026 RCRJAJPEFCECIH-UHFFFAOYSA-N 436.524 1.278 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CCC2)C1 1359313238 JBJBZQFABPXWDX-HUUCEWRRSA-N 429.612 1.955 30 10 IDEE CC(C)COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360071057 SEAMFRWPDAWFDC-GOSISDBHSA-N 439.520 1.827 30 10 IDEE Cc1cccc(CN2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 1454306013 AAURQFGIZIANIQ-PXNSSMCTSA-N 426.542 1.924 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1456937000 UHZYQUPDBLYRMI-IERDGZPVSA-N 443.573 1.710 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2CN2CCOCC2)c1 1463719341 TWIRGMXIWCVKPB-UHFFFAOYSA-N 431.489 1.885 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 1466939390 KABNXPVWTYWCTM-QFBILLFUSA-N 439.516 1.949 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1470993163 BQJXAWYIBNQELC-HNNXBMFYSA-N 430.933 1.219 30 10 IDEE C#CCN(C(=O)NCCCN1CCCS1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1479075316 JWGSVZHVAHHABX-UHFFFAOYSA-N 442.582 1.456 30 10 IDEE CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)O1 1497495703 BOLAWULVNNCJLP-OSGQAZFXSA-N 425.530 1.970 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1OC 1504184015 DNMYGQWZXUNSJV-SFTDATJTSA-N 430.484 1.471 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1(C)C 1504497289 JAQMDUGGFDYXJD-KRWDZBQOSA-N 432.550 1.569 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCCC1 1504993492 GKNLFKVEHFXHOU-QUCCMNQESA-N 431.585 1.665 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC[C@H]1CCCO1 1507610195 DJNATSAXTBDBAI-QGZVFWFLSA-N 436.516 1.847 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507630786 HPGVNVRQQKIRMX-GOSISDBHSA-N 434.566 1.368 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F 1507700136 OEOVPJMEBBCOJA-UHFFFAOYSA-N 448.449 1.674 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1507733842 MJPMOTSXIOAORS-WDSOQIARSA-N 426.565 1.818 30 10 IDEE C#CCSCCn1c(CC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507753206 JBVBDBIDSAFLJX-UHFFFAOYSA-N 432.638 1.978 30 10 IDEE C=C(Cl)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507875762 XGSMZDZFLGKZED-VQTJNVASSA-N 425.961 1.984 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)N2CCSCC2)C1 1508110279 SIONIBMXRKPIQG-IRXDYDNUSA-N 443.639 1.952 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C#N)C1 1508135825 MPMNXBBYGMKWIY-KRWDZBQOSA-N 438.513 1.823 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC2(O)CCOCC2)CCOC1 1509808118 YDEVBGTYVAGWSP-JOCHJYFZSA-N 433.553 1.990 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CC1 1518650274 DNLULUHBZQNKSV-UHFFFAOYSA-N 448.531 1.707 30 10 IDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C(F)(F)F)cs2)CCO1 1521128942 HMYPIHOLBNKFMJ-WDEREUQCSA-N 441.439 1.676 30 10 IDEE CS(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccc1F 1521504767 LBEJRGOYTCKWPQ-UHFFFAOYSA-N 425.463 1.673 30 10 IDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1535553156 RPBIWVZJPOVCON-OAHLLOKOSA-N 430.448 1.967 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539222085 SVNDSBXHSDTHEQ-YOEHRIQHSA-N 447.586 1.528 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539312569 UJQXAIGJBDMQKP-FQEVSTJZSA-N 434.548 1.141 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539371534 VCALNMDTOUGDSZ-LPHOPBHVSA-N 445.545 1.532 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1539538120 CUVUELYWSOQBAI-JLTOFOAXSA-N 432.550 1.796 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cscn1 1539615513 JOXCRIGIKNVMFO-YCPHGPKFSA-N 440.595 1.962 30 10 IDEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539990148 FKBHKVVKIHNFES-UHFFFAOYSA-N 437.508 1.255 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(O)CCOCC2)C1 1540895284 OSYSGCBPBSUUGP-IBGZPJMESA-N 430.553 1.853 30 10 IDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1544644653 CTCXFPWCXPWYMD-QGZVFWFLSA-N 426.517 1.833 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1557540462 VKAOHJQHFKXDKI-MRXNPFEDSA-N 438.509 1.919 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2[C@H]2CCCO2)cc1 1558481643 SFKYFSXJLGHJSA-QXAKKESOSA-N 436.530 1.724 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)N3CCCC3)C2)C1 1558590842 FIFBDVCMKNOWTA-LFDOHDQPSA-N 440.566 1.315 30 10 IDEE CCOC(=O)Nc1ccc2c(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc(=O)oc2c1 1560168494 MVWRQRYKDLVTLH-XOBRGWDASA-N 431.470 1.732 30 10 IDEE CCOC(=O)[C@@H](c1nc(Br)sc1C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1560194615 XQYFCDWUQHKYQD-JVLSTEMRSA-N 448.364 1.688 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc(C3CCOCC3)n[nH]2)cc1 1562197161 FEOHSXMINLNWSP-UHFFFAOYSA-N 434.522 1.827 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CC[C@@H]1C(F)(F)F 1564723494 ABCJEFDLJODLCC-STQMWFEESA-N 445.446 1.884 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1587808456 RURQPNXFQATEMJ-SJORKVTESA-N 438.598 1.290 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC1CCCCC1 1587931719 BDNZPUIFHLTPRN-UHFFFAOYSA-N 429.546 1.867 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1587989034 FLIYRQBRVUUEHF-UXHICEINSA-N 443.573 1.151 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588044987 FAMIEKZNBQMTAJ-GOSISDBHSA-N 430.578 1.395 30 10 IDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588069142 IADIVGZDAFSMAQ-MRXNPFEDSA-N 448.545 1.263 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1588124474 MQKHPAKQLCPHSF-DEOSSOPVSA-N 446.511 1.460 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCS(=O)(=O)C1 1588472744 IPCPSAYCYJCWJD-QGZVFWFLSA-N 447.536 1.630 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1589069149 IWZXAZXTKSUEDU-QGZVFWFLSA-N 440.577 1.389 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 1594497128 APAFKXJQGNUGNY-ULQDDVLXSA-N 441.598 1.827 30 10 IDEE C=CCS(=O)(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C(N)=O)C1 1595831600 UJOXTYFVPZQPGI-INIZCTEOSA-N 449.602 1.791 30 10 IDEE CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1596723300 XPZBJPXZLOINQY-LJQANCHMSA-N 438.536 1.639 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1611633422 FNYSYUOZGMQPQO-AUUYWEPGSA-N 435.575 1.554 30 10 IDEE Cc1c(Br)cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c(=O)n1C 1611648615 CCBHTIZPBKQYDY-UHFFFAOYSA-N 448.273 1.974 30 10 IDEE CN(C)CCN1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1617693572 NEWMPQLRZKZJAV-VQTJNVASSA-N 431.585 1.174 30 10 IDEE CS(=O)(=O)C1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCCC1 1617879380 OLXGKDXPOOTEAH-KRWDZBQOSA-N 446.529 1.627 30 10 IDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1OC 1619165282 CWHKDAYAZLYJKM-ZFWWWQNUSA-N 441.492 1.546 30 10 IDEE COCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCOCC1 1619654806 NEQLGMIMMWYTCD-GCJKJVERSA-N 449.552 1.491 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCOCC(F)F)cc1 1620350546 LHZZVTCNXPICGZ-MRXNPFEDSA-N 431.447 1.702 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3noc(-c4ccc(F)cc4)n3)CC2)cc1 1625121483 VFQZHTPXUCMURG-UHFFFAOYSA-N 441.444 1.894 30 10 IDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1625240006 IUVGFWQEOVHWPA-GOSISDBHSA-N 426.448 1.283 30 10 IDEE C[C@@]12CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@]1(C)CS(=O)(=O)C2 1625543184 KKLXHFYNCOZWFU-XMCHAPAWSA-N 435.933 1.848 30 10 IDEE C=CC1(CC(=O)NCCS(=O)(=O)N2CCSCC2)CN(C(=O)OC(C)(C)C)C1 1627365725 GGNFPQXXNUMWBA-UHFFFAOYSA-N 433.596 1.294 30 10 IDEE CN1CCN(C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c2ccccc2)CC1 1627919714 VFBOQJJKHCYDTL-NRFANRHFSA-N 444.532 1.841 30 10 IDEE CN(C)C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H]1CN(C)C 1632042892 BEDWDWXEJHZSGI-MGNRZLNZSA-N 447.624 1.971 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(Cc2ccncc2)CC1 1632282751 HZVTUQUWPMCLMR-UHFFFAOYSA-N 427.530 1.149 30 10 IDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)Cc3ccc(OCC#N)cc3)C2)nn1 1633136754 SHQNLGVSFJCDAJ-UHFFFAOYSA-N 426.477 1.831 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1 1636251458 QUIYCDFREBXHOD-INIZCTEOSA-N 436.534 1.598 30 10 IDEE N#Cc1cncc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 1638830442 AJEUJMTXURPBEM-UHFFFAOYSA-N 428.392 1.837 30 10 IDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1640745306 KZEVEGLNEBBADV-VMZNBEPHSA-N 434.518 1.049 30 10 IDEE C#C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)C1CCOCC1 1640925920 VKXQKKOESHDCFQ-HLAWJBBLSA-N 434.558 1.479 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1640980539 VPCINAYICNCTEP-NPPFBWRTSA-N 446.573 1.593 30 10 IDEE C=CCOC[C@H](NC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)OC 1641500380 FMPBPQURLRNCLM-INIZCTEOSA-N 425.445 1.314 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@](O)(CC#N)C2)C1 1643609610 OCBQADMPMQFVBZ-RTWAWAEBSA-N 439.509 1.211 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(=O)n1CCO 1644183818 OJJHHXLCYQWJBZ-UHFFFAOYSA-N 442.859 1.412 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)COCCO2 1644416973 JWBRYMGJJVOEHT-KRWDZBQOSA-N 435.546 1.548 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1 1648355859 CJBFAXQVVDBJSW-UHFFFAOYSA-N 443.481 1.080 30 10 IDEE CC(C)(COCc1ccccc1)NC(=O)NCCN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1648415201 DWGBWTYTYYSHDY-RXVVDRJESA-N 434.562 1.151 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](NC3CCOCC3)C2)s1 1651150252 HQMAEXZOEICBQX-MRXNPFEDSA-N 427.592 1.515 30 10 IDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCOC[C@H]3CNS(C)(=O)=O)c2C#N)C1 1654419110 ZFRLHWRBKZDUQS-ZIAGYGMSSA-N 440.591 1.323 30 10 IDEE CCOC(=O)c1c(NC(=O)NCCS(=O)(=O)c2ccccc2)c(C#N)cn1CCOC 1668605269 AGGXLMGGDRHSAG-UHFFFAOYSA-N 448.501 1.778 30 10 IDEE C[C@@]12CN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C[C@]1(C)CS(=O)(=O)C2 1683535967 DESQWINMVWENES-SZPZYZBQSA-N 430.574 1.989 30 10 IDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)c1 1687790258 YSTLOQMTHBPFBI-SFHVURJKSA-N 435.488 1.693 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1689851640 TWESMKHSYCEYLL-YLJYHZDGSA-N 441.601 1.737 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689993417 CXMSQBZYFJSJFJ-QUCCMNQESA-N 429.590 1.640 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1690012303 YLEIFRSAPKYDEH-SFHVURJKSA-N 430.516 1.420 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2OCCC2(C)C)CC1 1690141786 CCXCZOHJHCUUGN-GOSISDBHSA-N 425.537 1.460 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690218274 ASALZRZVVSCULZ-CQSZACIVSA-N 439.358 1.916 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690278423 AKJPETAFSWIULI-FUHWJXTLSA-N 444.561 1.486 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C2Cc3ccccc3C2)nnc1[C@@]1(OCC)CCOC1 1690676807 FEAMZVIUJJOOTK-HSZRJFAPSA-N 425.533 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)CCC)CC1 1690724855 XHRGVXCDWYKOHE-MRXNPFEDSA-N 439.582 1.268 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1692585776 NSCKLQLAXSZOTC-TZIWHRDSSA-N 437.516 1.692 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(C(N)=O)c2)cs1 1693363240 ZRRGNINTLZHPCA-GOSISDBHSA-N 437.529 1.704 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1696657249 UUUQWDDDHFMAEM-INIZCTEOSA-N 444.561 1.602 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1705564952 FZTFXXIYWRMNKW-OALUTQOASA-N 437.610 1.878 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705580350 IUCDYNZCLWQZQI-HXUWFJFHSA-N 431.500 1.783 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705606078 WUSCEBKCHYNVRZ-NRFANRHFSA-N 447.561 1.280 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1705629098 XBJBJYNTTFXUOF-SFHVURJKSA-N 448.593 1.475 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(CCOC)CC2)CC1 1705647232 AYPIZYANMDBEMY-LJQANCHMSA-N 429.565 1.955 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1CCS(=O)(=O)NC 1705678247 STTOBLJZKUFXDH-OAQYLSRUSA-N 447.561 1.797 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)CC1 1705705546 ITXFFJULWAGOBN-DENIHFKCSA-N 446.596 1.540 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC 1705865923 BQDIKAKWWKOGIY-OAHLLOKOSA-N 425.580 1.975 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2OC)CC1 1705902997 OBVXLRDCNTZGJJ-SFHVURJKSA-N 440.548 1.810 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705905614 BBVBEJGTQYHMNN-GOSISDBHSA-N 439.564 1.697 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1705935836 FAULYMQGBFISOU-KRWDZBQOSA-N 446.577 1.407 30 10 IDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1706190463 NHMUAOFXTZVWFT-IXDOHACOSA-N 443.552 1.925 30 10 IDEE CC1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(C#N)o2)CC1 1706949532 QYWHIZJVASTRSW-QGZVFWFLSA-N 448.549 1.750 30 10 IDEE Cc1cc([C@](C)(O)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1707046156 DAHWABQVMRNRGX-JXXFODFXSA-N 449.533 1.027 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1712076769 JPSXZVPWSNIERA-QBHGPPCGSA-N 425.493 1.661 30 10 IDEE COC[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712268600 RGDCOYSXNLGAJK-FTFAEBDGSA-N 430.509 1.171 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1712567500 VCIWJAFPFCXBNK-QYZOEREBSA-N 436.557 1.088 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCO[C@@H]2CCOC2)C1 1712877264 GSJFUGZEWXIDBZ-FOIQADDNSA-N 448.524 1.907 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC(=O)NC2CC2)CCO1 1712883587 SSJADSDVSKYJSS-KRWDZBQOSA-N 425.449 1.641 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCN1CCC[C@H]1CO 1722346189 ORYSYDRRGCUJEN-IBGZPJMESA-N 445.589 1.655 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722369246 ZSWASHKKVILXGP-QWHCGFSZSA-N 438.497 1.662 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1722395967 DTKSGEFLMXDYQV-KRWDZBQOSA-N 430.505 1.861 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722451991 ABUDLRCLPBKHRI-IAGOWNOFSA-N 442.545 1.676 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1722494623 QVYARMBPHBSSKD-FCEWJHQRSA-N 432.569 1.845 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722589350 PXYAGIJLANAHIL-UHFFFAOYSA-N 443.596 1.403 30 10 IDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCC[C@@H]1NC(=O)NC1=O 1722671527 WKYGILFFUJUHHD-AWEZNQCLSA-N 427.465 1.172 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1 1722724549 ZQOXCILYVDCAEH-UHFFFAOYSA-N 437.953 1.901 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C1CCC1 1722727718 KUHYUKIWRUFPSR-DLBZAZTESA-N 442.607 1.550 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1722870616 RDZKTGZPQOBPHA-HIFRSBDPSA-N 429.456 1.580 30 10 IDEE COc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc(OC)c1OC 1729993578 YMLBZMJISSFSOQ-SJORKVTESA-N 443.504 1.975 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740575805 WKIRHUQDEAOIRZ-UHFFFAOYSA-N 449.559 1.338 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2csc(C)n2)CC1 1740589758 BEYCGGOTRNDOAJ-KRWDZBQOSA-N 448.618 1.681 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)NCC)CCC1 1740646264 UNTBUEIGRRHLSH-UHFFFAOYSA-N 433.516 1.695 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740662919 YUOYHNIGADKQQN-GJZGRUSLSA-N 442.586 1.509 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nncn1CC 1740684077 VOHLAMUWAWLRKR-UHFFFAOYSA-N 431.504 1.877 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1740689126 PNDVEGIKYVWKJX-GBXCKJPGSA-N 441.624 1.780 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)CCC)CC1 1740708491 QYVWSKFZGCBIRY-QHCPKHFHSA-N 441.580 1.657 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)COC)CC1 1740756073 FMTLABXFPIHOHF-PXNSSMCTSA-N 428.537 1.560 30 10 IDEE C=C(C)Cn1c(N2CCCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740786252 WWTMGINTYHNXNG-HSZRJFAPSA-N 446.596 1.641 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1740863163 QJFUOMSKYGBJPP-CVEARBPZSA-N 429.612 1.909 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 1740868380 JVVNVARFRYKQGA-QGZVFWFLSA-N 440.614 1.403 30 10 IDEE C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1740871104 QHVHFQXEVIBCBH-OAHLLOKOSA-N 437.342 1.964 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1)C1CC1 1740910648 HPPLIVZVSTUCIG-LJQANCHMSA-N 438.532 1.899 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1740965045 LABBUIMYTQNCHF-SUNYJGFJSA-N 447.458 1.388 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1740973356 WGMZOUUCHDZVTN-MIZPHKNDSA-N 447.580 1.970 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1740975622 CPVRXROVVZWPKM-ROUUACIJSA-N 446.577 1.711 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnnn2C)C1 1740977088 CRLIQZJXENPUDT-QGZVFWFLSA-N 425.493 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740994006 LVRXQADSIKHRTR-KDURUIRLSA-N 448.545 1.582 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741089672 SFIORSHUBLTGFZ-VRTBNJGNSA-N 443.552 1.455 30 10 IDEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1741994665 RWEGNLSYBSLRBW-DYVFJYSZSA-N 430.459 1.791 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)CC1 1746458379 GUBIDQQGQRFXFM-OALUTQOASA-N 430.601 1.384 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1748697425 IADMTFMPDJEOJW-UHFFFAOYSA-N 449.559 1.743 30 10 IDEE C#CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)CC1 1748724341 AKVWPUQJOXZXEJ-UHFFFAOYSA-N 449.603 1.773 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1748751460 HZCCUZCRYVMAET-INIZCTEOSA-N 429.550 1.465 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(S(C)(=O)=O)CCC1 1748784386 MBVNZIDABXIXFM-UHFFFAOYSA-N 440.529 1.229 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2C[C@@H]2C)CC1 1749015730 LMFZPOQJTCTSMY-DOTOQJQBSA-N 440.573 1.891 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749039942 GILUBNYWLPKKIB-GOSISDBHSA-N 448.618 1.396 30 10 IDEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1750518587 CPEBJNOTULXYCB-NDEPHWFRSA-N 435.575 1.599 30 10 IDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760137053 DZQRLNBPTVONNU-IBGZPJMESA-N 437.548 1.796 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760189227 GRAZPADWMXYFCW-MOPGFXCFSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc(COCC)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1760192963 PXNGGTAISFCPMV-RBUKOAKNSA-N 437.610 1.706 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1760249487 MPXBLVOOBQLZPO-GOSISDBHSA-N 432.546 1.518 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760255171 VMTDCLBQKAZBKW-RBUKOAKNSA-N 441.532 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)CC)CC1 1760272005 VJNYZLXIIVGLSF-UHFFFAOYSA-N 443.577 1.078 30 10 IDEE C=CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1760425163 FXUDJFRAZWRSNM-KRWDZBQOSA-N 437.504 1.901 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCC(C)CC2)CC1 1760521518 VORYJZVJGHLSDD-ABHNRTSZSA-N 429.569 1.232 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3OCO[C@@H]3C2)cc1 1760531002 ZLDRKKHVIBFWAO-OLMNPRSZSA-N 449.533 1.063 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1760548359 FBQBBNXSHMFOIC-UHFFFAOYSA-N 437.526 1.949 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc(C#N)o1 1761502090 MNPSPYIZIBESTB-CZUORRHYSA-N 436.538 1.653 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCCCO 1761869806 VNSHIDOSUVVYEK-INIZCTEOSA-N 430.557 1.431 30 10 IDEE COc1cc(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)ccc1OCCO 1768307061 FTIRAJJOSMWFQE-KKSFZXQISA-N 431.468 1.652 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCOC1CCOCC1 1769302484 KASVQUPGLDVMPB-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1770049647 FGQDGMRZLFNZFI-NCXUSEDFSA-N 436.557 1.230 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1771201081 XMBZTWYDXPNYNG-FUHIMQAGSA-N 439.582 1.957 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCn2cncn2)CCO1 1771536892 DMSWHOVSYSNIRL-CYBMUJFWSA-N 429.282 1.728 30 10 IDEE C=CCOC[C@@]1(C(=O)ON2C(=O)c3ccccc3C2=O)CN(C(=O)OC(C)(C)C)CCO1 1772794350 IUUYRFZKYWXKPP-JOCHJYFZSA-N 446.456 1.950 30 10 IDEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)N3C[C@H](C#N)CC3=O)c2C)C1 1850798479 HNEATYINEXHTEM-KBPBESRZSA-N 425.411 1.981 30 10 IDEE COc1cccc(-n2c(C)nn(CCCC(=O)NCCN3CCC(C#N)CC3)c2=O)c1 1853005743 OMNYTHHFNDGSOX-UHFFFAOYSA-N 426.521 1.483 30 10 IDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 1854500503 YVHGOBDBRZWYAI-LJQANCHMSA-N 433.530 1.123 30 10 IDEE C=C1CCCN([C@@H]2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)C2=O)CC1 1854724479 GMWIXZHGBUKBCJ-MAUKXSAKSA-N 428.558 1.939 30 10 IDEE CCOC(=O)N1CCC(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1 1858422667 YMCLYRXMLJFGPM-INIZCTEOSA-N 434.518 1.306 30 10 IDEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155609 WEUGAPXAOGTSEM-UHFFFAOYSA-N 445.395 1.844 30 10 IDEE N#Cc1ccc(COc2cn(CCN3CCOCC3)c(CSCCO)cc2=O)cc1 1870233380 MOQBDYORIPFPRD-UHFFFAOYSA-N 429.542 1.857 30 10 IDEE C#CCOc1cn(CCCN(CC)CC)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561869 GYTLKRHUJOZLQP-UHFFFAOYSA-N 432.565 1.866 30 10 IDEE C=CCn1c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc2c(N3CC(O)C3)ncnc21 1873595201 SLVUEOISPLEGLQ-GOSISDBHSA-N 427.892 1.915 30 10 IDEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1 1874306546 CLPQHRIEWCTXCC-SSDVNMTOSA-N 427.486 1.943 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1895861868 NMWBCOOAZXVKGM-PMPSAXMXSA-N 425.526 1.637 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1985827985 PELFNKMNKLTZMP-QLFBSQMISA-N 426.514 1.670 30 10 IDEE N#Cc1cc(F)c(N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)cc1Br 2174810512 NHBIQVJMOMFVDV-RKDXNWHRSA-N 437.191 1.819 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2255628317 GLKQZUYUKUXMCS-FQEVSTJZSA-N 438.309 1.788 30 10 IDEE CON(CCNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255633751 GUSKHZRIWWJLLF-UHFFFAOYSA-N 438.334 1.556 30 10 IDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)ns2)OC1(C)C 2255633907 JLCMLNWGBPDVDW-QGZVFWFLSA-N 442.394 1.646 30 10 IDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255713203 XUWJIHQUJPGQQI-HIFRSBDPSA-N 436.314 1.943 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(=O)NCc1ccccc1 2255747034 DFELBEQMOGLKCA-UHFFFAOYSA-N 444.362 1.889 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2255831542 XKMLYZAZXOXZOF-HUUCEWRRSA-N 434.346 1.895 30 10 IDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)CN(C)C(=O)OC(C)(C)C 2255876732 PYXMFYFZKOPNGZ-CYBMUJFWSA-N 437.350 1.347 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2267537498 IEHYANXHOHXDBG-OALUTQOASA-N 436.365 1.923 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@@]3(NC(=O)OC(C)(C)C)C2)n1 2267542974 ZWNLATZASWDWTD-LRTDBIEQSA-N 447.345 1.244 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 2267602701 QHEVAMDUDGKBSD-IRXDYDNUSA-N 442.325 1.218 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2301391200 IFYAYMJXKZNOBA-CYBMUJFWSA-N 441.721 1.792 30 10 IDEE C=CC1(N[C@]2(C(=O)O)CCOC[C@@H]2NC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 2306608396 UTVMGFXYAVPTFJ-LHSJRXKWSA-N 441.525 1.889 30 10 IDEE C=C(CNC(=O)[C@H]1[C@H](OC)[C@H](OC)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2311987015 GKSCXGFHZSANOD-BZUAXINKSA-N 440.346 1.940 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 2337201588 WVIGYDUVLZIJCV-ROUUACIJSA-N 441.337 1.823 30 10 IDEE Cn1nnc(Br)c1S(=O)(=O)N1CC[C@@](C)(B2OC(C)(C)C(C)(C)O2)C1 2342576063 DRRJFHWESABFPO-CQSZACIVSA-N 435.153 1.825 30 10 IDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 13795202 HDLLBUYSYJCILY-UUPHZHHOSA-N 437.543 1.595 30 10 IDEE COc1ccccc1/C=c1/c(=O)oc2n1-c1oc(N)nc1[C@H](c1ccccc1OC)C=2C#N 35910735 DFKGPSLEMNCUEG-JVCXIRSZSA-N 442.431 1.666 30 10 IDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 439937269 BJUWYXLYQMXGNS-RWQQGDIJSA-N 439.472 1.102 30 10 IDEE N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1 442307901 AAKWKTZCNGMPIY-KRWDZBQOSA-N 445.472 1.905 30 10 IDEE COc1ccnc(N2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)n1 443470449 BDLVCNOPQBPGNS-UHFFFAOYSA-N 438.307 1.630 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 465261473 KOFHLMZIBQFFIX-ZFWWWQNUSA-N 426.427 1.717 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 478143355 LYACEWBPFDHIAI-UHFFFAOYSA-N 439.490 1.401 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 482323849 ZTHYBIYYTKAJGU-CJNGLKHVSA-N 437.468 1.471 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCCO)CC1 502869387 GFMMMEIJGNKPNR-LJQANCHMSA-N 443.573 1.563 30 10 IDEE C=CCNC(=O)CN1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 504126055 UTRNUWZPUJSREI-KRWDZBQOSA-N 426.439 1.610 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccs2)CC1 508918144 LMSSXLKJIIXWID-OAHLLOKOSA-N 438.579 1.185 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCN3CCOCC3)c2=O)c1 523580401 ZIDVSJRYAXLPCC-UHFFFAOYSA-N 439.581 1.669 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 544842448 KOOFKTFBPMTYSI-UHFFFAOYSA-N 446.510 1.536 30 10 IDEE CCc1ccc(CN2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)s1 555033768 ZUCLLPFSNAEWRR-UHFFFAOYSA-N 432.571 1.805 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 582075190 NBIBRUPYYMQEBE-MSOLQXFVSA-N 439.582 1.440 30 10 IDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 606828665 CBILFDBPQFPFBM-UHFFFAOYSA-N 441.450 1.887 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCOCC)c2=O)cn1 735069475 VYFMHOWWTIARGQ-UHFFFAOYSA-N 443.573 1.115 30 10 IDEE CC(C)(C)OC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C[C@H]1CCCO1 744008104 UXLKAIJRAZNHEJ-QGZVFWFLSA-N 437.518 1.920 30 10 IDEE CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC1CCC(C#N)CC1 755963586 HRASAJPAZNPBKY-HTWSVDAQSA-N 442.559 1.641 30 10 IDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cnn(CC)c2)C1 760321364 PNJWABKSEWSBOH-CVEARBPZSA-N 447.565 1.307 30 10 IDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(=O)N(C)CC)c1 774302509 DRBVORBGIUHGSY-SFHVURJKSA-N 443.573 1.146 30 10 IDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 781598707 BDUZLZVZACBFPY-ZDUSSCGKSA-N 443.503 1.417 30 10 IDEE Cc1nc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(Br)n1C 805063653 STIWCNXLDNLVGB-UHFFFAOYSA-N 425.312 1.269 30 10 IDEE C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 805128108 YYVXTIUONQSVNH-BHDSKKPTSA-N 434.396 1.933 30 10 IDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 809890246 YBYSRMDIXIGBJB-IERDGZPVSA-N 435.525 1.768 30 10 IDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 814140565 VRXSYMNXAKRNRD-JKSUJKDBSA-N 432.477 1.779 30 10 IDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856553152 ALLMZUKKFWKRQU-VQTJNVASSA-N 429.484 1.533 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)COc1ccc(C#N)cc1 921191725 DYWKHQINHDXPEE-SFHVURJKSA-N 432.521 1.309 30 10 IDEE COc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1OCC(=O)NC1CC1 1116172896 FAEIKHMFJOKBKF-QZQOTICOSA-N 428.445 1.208 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2ncon2)cc1 1143958162 SUXRVCUCWBBGFU-GOSISDBHSA-N 425.470 1.975 30 10 IDEE CN(CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(C(F)(F)F)cc1C=O 1159491599 YORCONPLPFAKGI-UHFFFAOYSA-N 435.362 1.172 30 10 IDEE COC(=O)c1cc(Br)c(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1198337233 QCCWJWFSHCZODD-YVEFUNNKSA-N 443.319 1.614 30 10 IDEE C#Cc1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1273513324 FBSFUDYTQABGHU-UHFFFAOYSA-N 428.510 1.556 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286410017 VOUSGAYTENHQMX-GOSISDBHSA-N 432.450 1.984 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OCC)CCCC1 1286447058 IMXFGWAGHZPRFB-QGZVFWFLSA-N 439.582 1.420 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCS(C)(=O)=O)CC1 1286485164 WPDXGDZWEHZNKJ-UHFFFAOYSA-N 445.589 1.664 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1286773890 VESOXGUESVQGSE-ROUUACIJSA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1286781573 UQKHIGCQFTWUKD-BZSNNMDCSA-N 429.569 1.029 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286784912 YAKBXJPJNARWMI-CZUORRHYSA-N 433.896 1.261 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286791365 RYCVTOYLGBWJBK-QRQCRPRQSA-N 447.486 1.834 30 10 IDEE C=CCCn1cc(C(=O)N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)nn1 1292937747 VTHCZEDUWFPUMU-UHFFFAOYSA-N 440.529 1.939 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300365171 QPKNHADLLLFERA-FCEUIQTBSA-N 442.608 1.964 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300486775 AZCMDXPPMCHIEM-OAHLLOKOSA-N 443.558 1.369 30 10 IDEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCN(C)C 1300510519 SRZVGUQEIOZEJH-LJQANCHMSA-N 439.564 1.708 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1300693463 YSNVNZAVROWGQX-NRFANRHFSA-N 438.624 1.312 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCCC2)CC1 1300722397 JNFXKCDVVIDRIZ-GOSISDBHSA-N 441.580 1.069 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301237534 SVTYEZMGDINMMU-QGZVFWFLSA-N 439.582 1.510 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(=O)NCC)CC1 1301492185 ZOTFQVHXVYZZNK-UHFFFAOYSA-N 448.531 1.647 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(C)o1 1301499760 FQERYQIOZUKYHV-HOTGVXAUSA-N 433.534 1.725 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1 1301502760 OWYCOARJFDARKK-LJQANCHMSA-N 440.504 1.151 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2cccs2)n1 1304762137 FGODDENEXODZGB-JXFKEZNVSA-N 427.534 1.838 30 10 IDEE C=CCC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OCC 1309507532 KWTACMSZBPGSLP-HNNXBMFYSA-N 430.548 1.647 30 10 IDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1309731873 BZMBTTWXHRMCTD-QGZVFWFLSA-N 428.576 1.876 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3ccc(N4CCNC4=O)cc3)CC2)c1C#N 1312905282 GGWXRZQXBATADP-OAHLLOKOSA-N 436.520 1.723 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CC(=O)NCC(F)F)cc1 1316529806 DNKWERHQURKSOZ-UHFFFAOYSA-N 429.431 1.009 30 10 IDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1O[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358956741 JZWHYWURWLJPAE-WOJBJXKFSA-N 444.557 1.738 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCCSC)[C@H]1CCS(=O)(=O)C1 1358961541 APJIXRLBPCEATI-JKSUJKDBSA-N 439.607 1.389 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1358965096 NPUDKYPJTMSUOR-GOSISDBHSA-N 425.514 1.840 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1358994787 WJHOBFIGFZFTAW-HXUWFJFHSA-N 438.553 1.821 30 10 IDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC 1358996654 NBCJJBLZSVRXEH-UHFFFAOYSA-N 447.587 1.242 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C)C1=O 1359015577 YAUFTPKMECFDTR-QHCPKHFHSA-N 438.507 1.771 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CSCCS1 1359018539 TUDITZTYVSAAAY-HNNXBMFYSA-N 432.575 1.860 30 10 IDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359130672 STNJNEBWCDOJIC-FQEVSTJZSA-N 439.564 1.676 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC(F)(F)CO2)CC1 1359165809 XJOICWXDUQSBHI-CABCVRRESA-N 447.508 1.192 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)s1 1441100315 QYWDQJJKQNMSSN-UHFFFAOYSA-N 448.526 1.445 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)s1 1449071342 FPLQSNBUUPDKKC-OAHLLOKOSA-N 441.962 1.621 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)s1 1449844839 UTJWRILHTLDWBX-AWEZNQCLSA-N 427.592 1.895 30 10 IDEE COc1ccc(C(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)c(OC)c1OC 1457316652 NLOZZOBXCHCPBD-UHFFFAOYSA-N 441.488 1.729 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1465934631 DKTKJGCETGOAOA-UHFFFAOYSA-N 442.335 1.772 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C)c1cc[nH]n1 1472278070 XXQAONVIRABFBV-QGZVFWFLSA-N 446.414 1.611 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1 1473791573 HAZVLRFXBPAZFP-FQEVSTJZSA-N 439.560 1.336 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1505031579 ZWMCIZNWDNDHRB-ZWDAVXSWSA-N 427.505 1.598 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(COC)c1 1507536706 DMNUGGPBFLAGRY-LPHOPBHVSA-N 447.561 1.264 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507637351 PAIJVZPMRAFLNZ-UHFFFAOYSA-N 437.467 1.832 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(C)=O)CC1 1507668346 YGXLLRNDSVEUFS-UHFFFAOYSA-N 436.516 1.727 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507676841 QVPYCFNZFOLFGI-GOSISDBHSA-N 437.548 1.642 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCC2)CC1 1507740880 GVSROTMDQDVNLT-UHFFFAOYSA-N 441.507 1.877 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1507746906 VBYZLGLOPQYFEZ-CVEARBPZSA-N 441.623 1.386 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccncc1 1507772096 GFPMLHCDGXPYQQ-WIYYLYMNSA-N 444.561 1.241 30 10 IDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507833138 XZTNGGRAHKLCAF-QGZVFWFLSA-N 429.550 1.977 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507959205 JUMMJIKIMAQOLC-MRXNPFEDSA-N 437.508 1.180 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1508094641 HWZASEVJIVWFML-LJQANCHMSA-N 437.548 1.784 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCO)Cc2ccccc2)n1Cc1ccc(C#N)o1 1510179183 WKSXJRXAJIAYPW-HNNXBMFYSA-N 444.517 1.400 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1513333056 BTCJOPAEKHIWSE-UHFFFAOYSA-N 425.537 1.992 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOC(C)(C)C 1516589431 WZUFSXJSWQHRQA-UHFFFAOYSA-N 430.557 1.870 30 10 IDEE CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1516854173 RRASPWAUEHHMJX-SFHVURJKSA-N 432.550 1.619 30 10 IDEE CN(C[C@@H]1CCOC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1517242687 KQEHOQLXDSCEJZ-JXPGLKHUSA-N 430.509 1.519 30 10 IDEE C[C@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1524670128 MRQGOWGMQSDBIV-QGZVFWFLSA-N 441.532 1.933 30 10 IDEE CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCOCC1 1526573480 HTOCMOPOIQVQKF-APWZRJJASA-N 446.935 1.954 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1csc(I)n1 1535349523 FXCLFVSQOCPKIV-VIFPVBQESA-N 440.270 1.760 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1nc2cc(OC)ccc2n1C)[C@H]1CCS(=O)(=O)C1 1539218825 DVBIOTRNUUCSJR-HNNXBMFYSA-N 442.545 1.411 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1540867467 XCMGILLGISOVNH-DNVCBOLYSA-N 427.505 1.880 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOC(F)(F)F 1541935873 UCQVGROWUHDENI-IUODEOHRSA-N 438.476 1.945 30 10 IDEE CCN(CCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)S(C)(=O)=O 1547575235 SOFXRJJHTSGTEX-UHFFFAOYSA-N 445.549 1.362 30 10 IDEE CC[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552422323 KCZINBALYNDUHF-GUNSETOZSA-N 433.969 1.939 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1555205892 FLXLJNXUSQEWFS-UHFFFAOYSA-N 426.521 1.973 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(N(C)C)CCC1 1555665156 VBBZOARHYLXJFB-PKOBYXMFSA-N 431.585 1.663 30 10 IDEE COCCOCc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555708611 DSOYDTYCABPRDF-OALUTQOASA-N 440.504 1.169 30 10 IDEE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643400 VENKAOWCMRPLOE-XAUMDUMWSA-N 437.949 1.881 30 10 IDEE C#CCN(CC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OC(C)(C)C 1558794303 AQPZEVVODXEENH-UHFFFAOYSA-N 436.553 1.620 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(Cl)cc(Cl)c2F)CC1 1565321576 WNGASIATEPSUEM-LLVKDONJSA-N 437.324 1.988 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1584437882 WJLKEHASWFSFGF-KSFYIVLOSA-N 428.489 1.664 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 1585183701 UBSPCWHCFFZZRM-IRXDYDNUSA-N 439.476 1.506 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(F)ccc1F 1587989594 KWTWNRRLAGJEEX-INIZCTEOSA-N 425.461 1.007 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588059706 SQJFHGWQQNCXJN-GOSISDBHSA-N 442.520 1.417 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nnc(C)s2)CC1 1588871713 NOYDKLZNSIHSAX-UHFFFAOYSA-N 439.545 1.829 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)CC)CC1 1588891521 PSXCEYLRJPNHSM-VXKWHMMOSA-N 433.553 1.057 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1588946897 IOGUUEVNCPHTRK-UHFFFAOYSA-N 432.532 1.948 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1Cc1cccs1 1595551822 WCBCXKHGOCPTEZ-CVEARBPZSA-N 449.602 1.755 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1595603121 YKLHNIYVZJGXCT-RBUKOAKNSA-N 431.585 1.037 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1595773197 UASDPHHVTDASOC-NRFANRHFSA-N 442.545 1.380 30 10 IDEE COCCN(CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C 1602875870 IFMKMUMCRIBZFZ-UHFFFAOYSA-N 439.534 1.473 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1613896972 RCJIGPCEKHJHKF-FTRWYGJKSA-N 443.552 1.637 30 10 IDEE Cc1nc(C#N)n(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1C 1614768654 NKPKVGHEHDHTPB-OKILXGFUSA-N 431.518 1.808 30 10 IDEE CN(C)C(=O)COc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1617628397 HXWVLUYRUYQVPX-HKUYNNGSSA-N 440.504 1.026 30 10 IDEE CN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1617922442 NLVBFICTJPOSNQ-VZCXRCSSSA-N 432.488 1.841 30 10 IDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 1621903643 CEFOCPQVFWPLOG-UHFFFAOYSA-N 449.982 1.925 30 10 IDEE COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1=O 1622464891 CWGNJXUZHMAXKX-AWEZNQCLSA-N 448.467 1.034 30 10 IDEE C#C[C@@H](NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1622709917 JMONXIKCYYLSAY-QGZVFWFLSA-N 441.937 1.911 30 10 IDEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1cccc(Br)c1 1623138701 IGSBNTDKKBKTOR-JKSUJKDBSA-N 447.264 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2ccc(C#N)c(F)c2)C1 1626519543 NTILJONTTMFISR-HNNXBMFYSA-N 425.482 1.738 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(n3cnnc3O)CC2)C1 1626624000 RCALTGPFJBZCPA-UHFFFAOYSA-N 431.294 1.918 30 10 IDEE C#CCOc1ccccc1CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1628086885 VGJGVLQMTRNBLP-KRWDZBQOSA-N 436.530 1.739 30 10 IDEE COc1ccc(-c2nn(CC(=O)N3CCN(c4cnccc4C#N)CC3)cc2C=O)cc1 1628786679 IZDGQHHUMUMTLE-UHFFFAOYSA-N 430.468 1.987 30 10 IDEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)c(C)s1 1633382170 SARNTKLMICKAKK-UHFFFAOYSA-N 427.548 1.691 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CN(C2CC2)C(=O)O1 1639115569 BKEOGEZBFINXAA-HNNXBMFYSA-N 434.518 1.385 30 10 IDEE N#C[C@@]12CN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)C[C@H]1CS(=O)(=O)C2 1639175684 XQRGZMSKFRHDNL-IXBGWNDUSA-N 425.919 1.540 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1641797846 RESNKZWUWPVFKW-UHFFFAOYSA-N 441.556 1.058 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)c1cc[nH]n1 1642900148 KMPNLIXMHZRBNM-UHFFFAOYSA-N 428.424 1.053 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)CC1 1643372541 PXIXAUGLGSOCNE-UHFFFAOYSA-N 431.518 1.082 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NOC(C)(C)C(=O)OCC 1643895551 GDZCNTZNIMCZIP-CQSZACIVSA-N 425.507 1.673 30 10 IDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H](O)CC1(C#N)CCOCC1 1644876094 GZCREOMGJQQBBM-OAQYLSRUSA-N 430.549 1.855 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(C)c(I)cc2C)CC1 1645163687 WTBSUCDUEQDCLC-UHFFFAOYSA-N 447.342 1.493 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 1648734641 UDLBLFJQLIIFKY-KKOXVAKLSA-N 437.587 1.652 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)c(C)c2)CC1 1650848817 KALJMPJWNKXOMG-UHFFFAOYSA-N 436.534 1.567 30 10 IDEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1654347822 HHXRRBZVRSSMOG-QGZVFWFLSA-N 435.546 1.189 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)cc1 1658320835 ODTCPRYUEWWAKH-ZDUSSCGKSA-N 433.490 1.716 30 10 IDEE C#CCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1663857427 JSBDFKHBEYNNKU-DLBZAZTESA-N 440.566 1.207 30 10 IDEE C#CCN(CC#N)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1668774062 QTIRTXRZVGWSLI-UHFFFAOYSA-N 432.239 1.534 30 10 IDEE CN1CCN(c2ncccc2CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1683415527 CKIKERYYKZWLPR-UHFFFAOYSA-N 437.523 1.876 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690122479 RWWBIBRUFSDOLN-HXUWFJFHSA-N 449.559 1.173 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 1690256736 UOGZPROKVHBQCG-HUUCEWRRSA-N 433.600 1.116 30 10 IDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NCC)CC1 1690437549 HQJLITLDPABUAX-UHFFFAOYSA-N 431.585 1.261 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCOC1 1690658957 FMWKXVSQFKZPGX-INIZCTEOSA-N 446.939 1.636 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1690669083 TUJHZWDCCSXDRH-HNNXBMFYSA-N 437.504 1.109 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1691421829 CFBOTRKBNXSWAV-QHCPKHFHSA-N 438.532 1.927 30 10 IDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1695270394 DJLSUVGGPLEMJW-RTBURBONSA-N 427.505 1.994 30 10 IDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1698223011 GGPNXBLHYJQOSG-IBGZPJMESA-N 438.532 1.975 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1705565516 VMIGNJWXRPARGZ-IAGOWNOFSA-N 427.530 1.159 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N(C)C)nc2)CC1 1705634564 BDYYJVYJAMTCIP-GOSISDBHSA-N 427.553 1.267 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)Cc2ccccc2)CC1 1705638409 KEPKEHPEMLUUNI-NRFANRHFSA-N 435.576 1.507 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1705700866 ZNDUAJZDGZRFIG-JQHSSLGASA-N 439.582 1.581 30 10 IDEE C=C(C)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728451 LATMKWPITWADBI-LPHOPBHVSA-N 427.571 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705936285 NLEVDPYSHHLGIZ-IRXDYDNUSA-N 439.582 1.616 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1706074733 CXTFNFCQPCEZNY-BRWVUGGUSA-N 447.565 1.177 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC(C)C)CC2)c1C#N 1707807652 IECZDXBPVAFSHU-UHFFFAOYSA-N 427.557 1.703 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cccs1 1707951727 FBNLVOSYTUVCFF-HNNXBMFYSA-N 449.540 1.975 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1710875243 PYGPKZODKZVIDV-JKSUJKDBSA-N 431.474 1.366 30 10 IDEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1722308795 QEYOMCBDEDINBV-UHFFFAOYSA-N 428.924 1.943 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1722400755 YKSFXZNLIABJGC-VXKWHMMOSA-N 426.609 1.909 30 10 IDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1722463631 IHQKZZYEUPNKCQ-UHFFFAOYSA-N 436.559 1.467 30 10 IDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1722561746 XSMDWLXJFNRAFH-NRFANRHFSA-N 429.546 1.983 30 10 IDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722620459 GWMVPJBLJKEBLP-UHFFFAOYSA-N 430.534 1.777 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCOC1 1722652809 NWBYBPQSNFDPJJ-QFIPXVFZSA-N 429.521 1.769 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1722697044 DVHYJQAIHSEOJS-UHFFFAOYSA-N 431.504 1.179 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1740621993 RQIHRQOBNYZPEU-INIZCTEOSA-N 430.530 1.495 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1740625928 UDRHMMIFWYRUJB-IBGZPJMESA-N 430.578 1.843 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1740656192 HZROONLEJUEOAE-GOSISDBHSA-N 427.530 1.485 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(O)CCSC1 1740664578 WBRDMWFBBUQYOW-HXUWFJFHSA-N 449.602 1.523 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)c(F)c2)CC1 1740695723 BQQGINJBHVISCV-KRWDZBQOSA-N 447.536 1.131 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740711675 QXAQYRFQXMPCSO-HNNXBMFYSA-N 447.586 1.382 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CCC(N)=O)CC1 1740763927 RPXVSVDJFNQDNM-XMSQKQJNSA-N 444.580 1.864 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1740887010 ZUNCGUNDHMBJLN-UHFFFAOYSA-N 430.553 1.442 30 10 IDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1740897866 XPLRROFQWJXAIT-QHCPKHFHSA-N 437.548 1.754 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCCC2)CC1 1740951436 ZDDVVMCFYXIWHB-UHFFFAOYSA-N 429.569 1.271 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)CC2)cc1 1740965383 IJJHWDNHUGKVFM-UHFFFAOYSA-N 426.521 1.698 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1740977952 LRYDQUWWMOINRA-MBSDFSHPSA-N 443.548 1.810 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740987425 GWJNLRYLQDYKEL-HNNXBMFYSA-N 428.518 1.084 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740993514 DKKFXVCXCUMEKH-QWHCGFSZSA-N 426.461 1.571 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1741131362 FHBXEGVJEZKGIP-OPAMFIHVSA-N 437.552 1.526 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCCC1 1748960976 SQXUEKYFGWLIOI-UHFFFAOYSA-N 428.493 1.138 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1749009487 BNYZGUVGNAUZOP-LEWJYISDSA-N 448.527 1.322 30 10 IDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749039265 RVDPHCLHHMIQGH-HNNXBMFYSA-N 427.596 1.057 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1749669328 GWYGTSJIUYPHDP-QZTJIDSGSA-N 432.569 1.955 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749752542 TVXYMKMBLWUUAV-OAHLLOKOSA-N 428.522 1.127 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1751021139 DYNRUUBLAPKABG-FCHUYYIVSA-N 430.553 1.975 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760181940 FLWLVTKXFSSAMZ-MSOLQXFVSA-N 437.610 1.529 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760187986 MOAMKFNNUVTANK-HUUCEWRRSA-N 432.493 1.081 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1760188055 GZCSHMLNHKKLME-KRWDZBQOSA-N 430.559 1.610 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1760190616 XXAPYKNOGAFHTO-OAHLLOKOSA-N 443.558 1.483 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCOC[C@H]2C)CC1 1760269520 KMROLQJNRMCXGG-UYAOXDASSA-N 444.580 1.206 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1760282169 XCAHTLCCPLYNOR-TWMKSMIVSA-N 439.607 1.212 30 10 IDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1760357140 FHTVPINCZWHAPL-SFHVURJKSA-N 436.534 1.864 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCOCC2)CC1 1760396557 FXZHSXBFAGVOJJ-INIZCTEOSA-N 440.614 1.402 30 10 IDEE CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1765276331 LPEOITRGRFPYIF-VAKVLEPSSA-N 430.509 1.312 30 10 IDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC(F)(F)CO1 1766408625 HXFAUJVZBZJEIA-LSDHHAIUSA-N 448.478 1.616 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1767437958 BKAXMOZIKIKPSD-FGZHOGPDSA-N 442.495 1.780 30 10 IDEE N#Cc1cccnc1N1CCC(CNC(=O)Cn2nc(-c3ccncc3)ccc2=O)CC1 1849994190 WENJSRRASGPLDJ-UHFFFAOYSA-N 429.484 1.605 30 10 IDEE C=CCN(C(=O)[C@@H](Oc1nc(OC)cc(OC)n1)c1ccccc1)[C@H]1CCN(C)C1=O 1851342341 BWKCPDJHHJKFKG-LPHOPBHVSA-N 426.473 1.859 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)CC1=O 1853883475 DSPLYOUXOFCPSU-AWEZNQCLSA-N 438.311 1.881 30 10 IDEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854652507 LEJIHOLYNUGKGS-CYBMUJFWSA-N 432.889 1.977 30 10 IDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)CC1=O 1856805407 PKBJNZSNHFIGFV-MSOLQXFVSA-N 436.530 1.802 30 10 IDEE C=CCn1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc2c(=O)n(C)c(=O)n(C)c21 1873599039 FZRWLZICNNEVPL-FQEVSTJZSA-N 435.528 1.792 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(N(C)C)ccn3)CC2)CC1 1889421792 VMZMDHHMNQJBHT-UHFFFAOYSA-N 427.593 1.798 30 10 IDEE C#CCn1ncc(NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c(Br)c1=O 2172853867 MJZMVQMQEFTTEJ-SGMGOOAPSA-N 441.326 1.715 30 10 IDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2213501381 XKFPNSVIPXSUFH-ZJIFWQFVSA-N 443.541 1.303 30 10 IDEE C#CCN(CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC(C)(C)C 2248399141 ZKFGDCOWOKAOHC-UHFFFAOYSA-N 435.355 1.929 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2251306236 JZXCYLZBKPAYNK-VFNNOXKTSA-N 444.359 1.324 30 10 IDEE C[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1NC(=O)C(F)(F)F 2255627543 VACUALCGCIFYME-CMPLNLGQSA-N 430.236 1.238 30 10 IDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2255658016 XPPZCGNGNPJSHZ-CHWSQXEVSA-N 432.330 1.646 30 10 IDEE Cc1cc(S(=O)(=O)N2CC(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2255747638 OREWFONEPJDUJP-UHFFFAOYSA-N 448.272 1.346 30 10 IDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255818084 GIVPZHRNCMKMDT-KGLIPLIRSA-N 434.346 1.847 30 10 IDEE CCc1nn(C)c(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267143822 NGRAFGSJBYHKQS-UKRRQHHQSA-N 448.373 1.925 30 10 IDEE Cn1cc(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2267188235 JNAQFPDJTUIKRK-GJZGRUSLSA-N 446.357 1.562 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)OC(C)(C)C)n1 2267496057 UGSBNPYFBSVGIX-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2268671257 KNPVKCSGGAUZRA-GJZGRUSLSA-N 447.341 1.937 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2312975035 ROCSMMKTPUHGKT-BZUAXINKSA-N 438.330 1.118 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 22065467 LCXNLBIUWQFVJM-UHFFFAOYSA-N 438.576 1.084 30 10 IDEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)c1C 59829907 JRXGHMRVPKTBJZ-UFFVCSGVSA-N 429.510 1.439 30 10 IDEE COc1ccc([C@@H]2/C(=C(/O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 102752148 BOKBLLOZZOSPID-GOBJLOIFSA-N 440.500 1.789 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCO1 409576036 MBJINKBNMBHQCO-RYUDHWBXSA-N 439.847 1.391 30 10 IDEE N#CC1(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CCOCC1 464186594 LSKAFKKHQPJQDU-YRYYUTHUSA-N 431.492 1.655 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 480104972 KLQIUPLIVUGIPA-MRXNPFEDSA-N 447.561 1.412 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(Cc3ccc(OC)c(OC)c3)c2)CC1 494895319 VAMIXQWIUHWXJB-UHFFFAOYSA-N 427.505 1.009 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(S(=O)(=O)N4CCCC4)CC3)cc2C1=O 506539215 FVNVVUFHSCTWHN-UHFFFAOYSA-N 431.514 1.499 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 508496898 HHCNSYIOILLDRU-INIZCTEOSA-N 427.477 1.712 30 10 IDEE COCCNC(=O)CSc1ccccc1C(=O)N1CCN(c2ncccc2C#N)CC1 514983412 NAYPUHCEGYMROJ-UHFFFAOYSA-N 439.541 1.770 30 10 IDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)o1 522899418 LZOKCXKNLZUNJQ-CQSZACIVSA-N 434.499 1.555 30 10 IDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2)c1=O 523306323 CRPSXSZVZUHWTK-UHFFFAOYSA-N 440.521 1.744 30 10 IDEE COCCNC(=O)CN1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 538107862 LANHAPYVBNSHNE-UHFFFAOYSA-N 435.528 1.815 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C[C@@H]1CCCO1 541075307 WQTOUFQEILKEBU-LBPRGKRZSA-N 448.526 1.086 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1-c1ccccc1 544079062 LCXNHLHAWYPYBY-UHFFFAOYSA-N 433.518 1.395 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544640134 PPHPJIWPZBZNCF-UHFFFAOYSA-N 426.498 1.588 30 10 IDEE N#CC1(CS(=O)(=O)NCCN(C2CC2)S(=O)(=O)CC2(C#N)CCCC2)CCCC1 546068617 LYKJYEHDOPGHJW-UHFFFAOYSA-N 442.607 1.868 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 576149423 CCRLBTIUSLICQD-JYJNAYRXSA-N 427.571 1.437 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCN3CCOCC3)c2=O)cc1F 597171712 DLZXCYVNRVYVSS-UHFFFAOYSA-N 443.544 1.418 30 10 IDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n([C@H]2CCOc3ccccc32)c1=O 607947686 TZOMYPCEVMBWAP-IBGZPJMESA-N 446.532 1.887 30 10 IDEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)NC1CC1 610148987 HPFXETQFJFHWAU-UHFFFAOYSA-N 430.461 1.701 30 10 IDEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC1)C2 611121074 MWPUXNMIDRMYEF-SFTDATJTSA-N 437.592 1.874 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(CC(F)(F)F)c3)CC2)cc1 615672430 FOLOLNGQCQMFHO-UHFFFAOYSA-N 427.408 1.464 30 10 IDEE CC(C)(C)CC(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617038058 GANZPXQNEDUYMO-IBGZPJMESA-N 425.533 1.949 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccc(C#CCCO)s1 703979271 AHOLSLVHZZABSQ-UHFFFAOYSA-N 432.523 1.588 30 10 IDEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1C(=O)N1CCSCC1 732707260 YITQFRISWFDLNK-QGZVFWFLSA-N 441.557 1.321 30 10 IDEE CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1C 747494403 JXKLAWZVSGZNAC-UHFFFAOYSA-N 430.486 1.892 30 10 IDEE O=C1c2ccccc2C(=O)N1CC=NNc1ccc(S(=O)(=O)NC2CCCC2)cn1 755636574 SJYGDYKUAFLMOH-UHFFFAOYSA-N 427.486 1.996 30 10 IDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC[C@@H]2CCCO2)c1 757684952 HUDYRZLSXBYYIQ-UNEBPCJRSA-N 428.489 1.878 30 10 IDEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758050614 GWIXICVZNFHODE-UHFFFAOYSA-N 442.884 1.230 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(C#N)cc2F)cc1 760167315 IOOKMNCNFNKYSJ-UHFFFAOYSA-N 433.461 1.785 30 10 IDEE COc1c(F)cc(CC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1S(N)(=O)=O 762300775 USCYUUSONSAUQC-KRWDZBQOSA-N 433.461 1.496 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cn1cc2c(c(C#N)c1=O)CCC2 766613445 WUJHGGNPOHUXMO-UHFFFAOYSA-N 429.521 1.177 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)CN3C(=O)c4ccccc4C3=O)cc2C1=O 767238251 DBIIKDIJSQMHPW-UHFFFAOYSA-N 432.388 1.491 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)c1 770897997 CDYNZOSRKAGTPF-HXUWFJFHSA-N 443.569 1.853 30 10 IDEE C#CCN(C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 774195710 KYGMDSWTXYHCKJ-FUHIMQAGSA-N 447.557 1.268 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)c(F)c2)s1 791396783 XAAXHRTUXVFYKH-UHFFFAOYSA-N 425.463 1.417 30 10 IDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)c1 800397404 RQJXAIZVBVVYCJ-BTUUYIQSSA-N 433.283 1.453 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CCC3)c2=O)cn1 814253825 LVCCHJFWXGFXKB-UHFFFAOYSA-N 443.598 1.320 30 10 IDEE CCn1ncc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 815909488 BFNBREYASWLRJO-MRXNPFEDSA-N 430.490 1.434 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CCN1CCOCC1 916201215 HUZIXFCQVHWULB-UHFFFAOYSA-N 434.443 1.287 30 10 IDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC 916933750 SIPRSBWTIOKIGE-NXNIQBKKSA-N 442.472 1.852 30 10 IDEE C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256669 SVPOPXHVLYVNMT-MRXNPFEDSA-N 429.521 1.896 30 10 IDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1135982478 ISGKSQLHWXSORN-ROUUACIJSA-N 430.505 1.852 30 10 IDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(C#CCO)c2)C1 1136460643 JLOJQSHEYWPMRO-IBGZPJMESA-N 429.517 1.524 30 10 IDEE C#CC[C@@]1(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CCCN1C(=O)OC(C)(C)C 1147823781 VIQGURRSUKZCTB-GOTSBHOMSA-N 435.565 1.511 30 10 IDEE N#Cc1ccc(NCC(=O)N2CCN(c3ncc(I)cn3)CC2)cc1 1150810653 JIWVXCXJLOFYQW-UHFFFAOYSA-N 448.268 1.714 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@]23COCCN2C(=O)OC3)C1 1174568929 HAAQELCIXHWPNV-SFHVURJKSA-N 435.278 1.094 30 10 IDEE C#CC1(O)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)C1 1179982837 VBJVYCULHBAWRR-NSHDSACASA-N 433.349 1.260 30 10 IDEE COC(=O)C1CCN(C(=O)Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)CC1 1189779579 HIQFVTZUWWUYAU-UHFFFAOYSA-N 448.523 1.690 30 10 IDEE C=CCC1(NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CCOCC1 1192286090 KGCBOTWWCKIJQT-UHFFFAOYSA-N 431.312 1.904 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(c4cccc(F)c4F)CC3)CC2)o1 1194518810 AGKIIQZNHAICRI-UHFFFAOYSA-N 444.486 1.994 30 10 IDEE CC1(C)CC(=O)NCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1196961880 MNYLIXWAEDWINE-MRXNPFEDSA-N 427.549 1.957 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286397656 BPBCAVLCURYLJB-AUSIDOKSSA-N 427.549 1.998 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1286409153 INMOCHPCEHCHAO-KRWDZBQOSA-N 431.537 1.820 30 10 IDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(CC)C(C)C)CC1 1286485195 XBEWFFNQNFTDJR-UHFFFAOYSA-N 443.621 1.755 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCCC2)CC1 1286491838 AGEXOUVGGPEXEH-GOSISDBHSA-N 442.564 1.184 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)(C)C 1286512934 ZCEXSRSTHSVGMY-UHFFFAOYSA-N 448.618 1.987 30 10 IDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC(C)C)CC1 1286646754 VVXATCYEDIGAOO-QGZVFWFLSA-N 427.571 1.583 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286709665 ASMIVNLHSGHSAW-ZWKOTPCHSA-N 445.568 1.404 30 10 IDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1n[nH]c(C)n1 1286767968 LTFRWNVFUDPWTQ-UHFFFAOYSA-N 435.492 1.902 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1286783522 UFQYCJQPGSNAAU-INIZCTEOSA-N 443.552 1.185 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccc(F)cc1 1286787492 GRHYGLTXYIPWJK-INIZCTEOSA-N 435.525 1.648 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C(C)C)C1 1286787775 JJYQIWFXWZFXLC-HUUCEWRRSA-N 427.596 1.060 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1288520736 VTXNXDOACZJCNI-QRVBRYPASA-N 431.585 1.853 30 10 IDEE CC1(C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1289039156 VSOPJKKGUHKLGE-DCOQFNDQSA-N 432.550 1.640 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 1290136378 SILGRDJGEKJWKN-VQFNIZELSA-N 446.548 1.623 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1290410549 GUMBSNIMUISHPQ-HNNXBMFYSA-N 428.522 1.362 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1291230749 IDGFIKWSGFTMBR-UFOSLELVSA-N 427.534 1.752 30 10 IDEE CC[C@H](C)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1291677549 YKMBBFUZAMEFHN-BFNIYCKOSA-N 430.509 1.314 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N1CCN(CC)CC1 1293111558 VHOVRLXHISLYSD-IBGZPJMESA-N 437.596 1.460 30 10 IDEE CCN(CCC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1295799500 VNHFPNNKMJAQAA-GOSISDBHSA-N 448.549 1.750 30 10 IDEE C[C@H]1CCS(=O)(=O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1296360320 YVWYRAWOQCJHLM-LBPRGKRZSA-N 426.336 1.793 30 10 IDEE C=CC[C@@]1(C(=O)N2CCC(NS(=O)(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 1297287613 GEBJHPOXOMFHLO-IBGZPJMESA-N 430.571 1.377 30 10 IDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1298852287 GVQAEPHANNUZTB-UHFFFAOYSA-N 439.545 1.914 30 10 IDEE Cn1cnc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)n1 1298865814 GPOHPISJUUYHDN-LJQANCHMSA-N 425.522 1.576 30 10 IDEE CNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298942662 GKCBRJDJFHVGRY-KRWDZBQOSA-N 427.578 1.879 30 10 IDEE COc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)c1 1300320305 BUWSIWCGSVXGSR-OAHLLOKOSA-N 427.509 1.593 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(OC)cc2C1 1300380991 LGJAWDSDNDVXNW-HNNXBMFYSA-N 447.561 1.882 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([S@](C)=O)CC1 1300465024 JKUZAKLBZGZLLM-FOGNVHKLSA-N 437.566 1.567 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1300531486 BWSNOLZIVAQXSY-HXUWFJFHSA-N 430.512 1.473 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O 1300886345 XFQXTOBZSFGDDN-UXLLHSPISA-N 425.555 1.081 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300990315 UWERIJNUHOGPNB-MRXNPFEDSA-N 427.571 1.283 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1301273780 XKBBQKIXGITCLI-UONOGXRCSA-N 430.575 1.766 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(C)c2)C1 1301554968 QLWDRPAOSZBEKB-RTBURBONSA-N 438.532 1.749 30 10 IDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1301808600 GJFDMHMQKAOAKQ-SIKLNZKXSA-N 426.521 1.968 30 10 IDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)C1 1302979484 QRWJMGYKGWTPJW-ZRGWGRIASA-N 428.459 1.580 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CN3CCCC3=O)n1CCCCCO)C2 1302989941 TUUBKWYVNVJGTA-UHFFFAOYSA-N 425.493 1.098 30 10 IDEE CC(C)Cc1ncnc(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1I 1307214961 AGOHDYVJNFUWIB-NHYWBVRUSA-N 446.314 1.654 30 10 IDEE COC[C@@]1(C(=O)OC)CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1307958188 RZYQQDFKIPQQSD-DYESRHJHSA-N 434.562 1.501 30 10 IDEE CCCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1313496693 QNZFGPOIOFENLZ-CVEARBPZSA-N 449.556 1.851 30 10 IDEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1314054062 FFIHRRYUCNMZAE-QGZVFWFLSA-N 439.520 1.758 30 10 IDEE CCCNC(=O)CN1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 1356144837 CCFLGFKJMJMAGV-UHFFFAOYSA-N 437.338 1.806 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cncn2)CC1 1359028364 PNWKCYXFTSFKRU-UHFFFAOYSA-N 433.520 1.194 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359083237 FRMLRRIWRLJUBN-KFWWJZLASA-N 444.399 1.762 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1359221642 IZTKWSJFCPRWRI-UHFFFAOYSA-N 433.557 1.393 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1359281004 LJOOKAUMKIGWRI-ZDUSSCGKSA-N 439.442 1.920 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCCO[C@H](C)C1 1359326656 GVHCSEOVQDSNAD-OAHLLOKOSA-N 427.571 1.413 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@H](N1CCOCC1)C(F)(F)F 1360162540 OBMGDORFSIDDIT-GJZGRUSLSA-N 445.490 1.808 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)CCOC1 1360347656 LDAOTFYNRAQQAZ-FXAWDEMLSA-N 436.582 1.096 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)c1 1452698461 NQBPIRKSORXGJH-KRWDZBQOSA-N 437.514 1.877 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2=O)cc1Cl 1455077159 WEJYTZKXPUUVNY-LBPRGKRZSA-N 427.848 1.449 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nc2c(s1)COCC2 1456434641 FAVOVRINDWPAJW-UHFFFAOYSA-N 434.543 1.393 30 10 IDEE COC(=O)[C@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)CCOC1 1473658825 QMBROAXYAFPXGS-XXBNENTESA-N 428.533 1.580 30 10 IDEE CCc1nn(C)c(CC)c1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1498474419 JIOYSJVFYSBANS-JKSUJKDBSA-N 431.541 1.637 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1505031573 ZWMCIZNWDNDHRB-DKZVUGQWSA-N 427.505 1.598 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)C 1507644261 DNGHDZXEYYESCA-UHFFFAOYSA-N 429.546 1.693 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1OC 1507645282 ZDYPQPGIOASNFR-QUCCMNQESA-N 432.488 1.045 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507652484 JPOOVCZZLNRUOC-LEWJYISDSA-N 432.528 1.203 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1507660424 SYDKYVZLLWJCTC-QGZVFWFLSA-N 444.561 1.582 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCSC2)n1 1507715659 AYDONLJXNSIRSO-UWJYYQICSA-N 446.577 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507739746 KBQSODXDBLNUOC-RUZDIDTESA-N 448.571 1.507 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507801626 WOPKZXOCQAVBRL-DFGXFYAUSA-N 439.582 1.470 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C2CCOCC2)C1 1508139737 JBMJRGBPGOCVMO-QGZVFWFLSA-N 434.566 1.532 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCc1cnc2c(Cl)cnn2c1 1508406399 LUAFKSHBDLHFKJ-CYBMUJFWSA-N 429.916 1.951 30 10 IDEE CCO[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1516105969 HTPWGMQZDYETFY-OWCLPIDISA-N 428.559 1.068 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1517708710 BWBLBQGGUKDTQR-UHFFFAOYSA-N 439.520 1.427 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)c1 1521082165 DRZBUNTWXGPVOU-MSOLQXFVSA-N 426.502 1.513 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc1 1525819105 IEAMROBOJHNEDN-AMMROFDLSA-N 435.424 1.784 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](SC)C(C)(C)C 1539011433 BSIZEQKDFOGALO-ARFHVFGLSA-N 443.639 1.847 30 10 IDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539094479 QFBRGEPHUZZIHL-GJZGRUSLSA-N 426.543 1.017 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H](OCC)C(C)C 1539178848 KQWYQHBTRGVUPQ-SJORKVTESA-N 427.571 1.132 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nnc(C(C)(C)C)s2)CC1 1539431357 UEVBOBKYFGTQKP-INIZCTEOSA-N 447.609 1.955 30 10 IDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539499305 HYGNHABSLHDPJB-HXUWFJFHSA-N 426.502 1.936 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1540903340 DCWOKTRHIUSSAO-CRAIPNDOSA-N 445.501 1.120 30 10 IDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1540914878 DZDDICBCXUTDHW-JKSUJKDBSA-N 429.612 1.957 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCC3)C2)n1Cc1ccc(C#N)o1 1541949374 NQPINRDBZYDOFS-AWEZNQCLSA-N 434.522 1.551 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 1542978072 GLKCUWLFWFIEOW-XUTLUUPISA-N 427.411 1.895 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1546576882 BXNWTKXIFCBXJP-GOSISDBHSA-N 442.545 1.356 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)c(C)s2)CCO1 1554443513 GELPPPCATBUOME-KRWDZBQOSA-N 437.529 1.890 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CC2)nnc1N1CCC(CCCO)CC1 1556023100 SPTOPUWADZBYRQ-MRCUWXFGSA-N 428.537 1.746 30 10 IDEE CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(CC(F)(F)F)C1 1557709552 XONRSWLAXIRHNH-AWEZNQCLSA-N 446.495 1.990 30 10 IDEE C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1559899428 HKBOVEZBQYFNCT-KRWDZBQOSA-N 434.562 1.200 30 10 IDEE C[C@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCN1C(=O)c1cscn1 1564531870 ZRXNCQCIXOMTJH-KKUMJFAQSA-N 448.549 1.758 30 10 IDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCOCC1 1565105418 HPOCEMRIXIULNB-SFHVURJKSA-N 425.938 1.784 30 10 IDEE C=CCN1CC[C@@H](N(C)C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1=O 1568184269 NORGSBPEPHTEMJ-ZWKOTPCHSA-N 431.489 1.480 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1cccn1 1588310048 NDZZUSJGYYBZTE-UHFFFAOYSA-N 426.550 1.985 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1588385184 GAAVUHIWTUOQSZ-HOTGVXAUSA-N 439.582 1.895 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCS(=O)(=O)C1 1589171915 UGWHCOWEZAFXDS-WOJBJXKFSA-N 445.501 1.395 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CC=CCC1 1589662925 DTSIONZRECZRJO-SFHVURJKSA-N 438.598 1.275 30 10 IDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1593625415 VKAQKXOVOSEZPU-INIZCTEOSA-N 443.552 1.619 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ncccc2F)CC1 1595544798 LRZOSLQVXDXJOR-KRWDZBQOSA-N 443.527 1.725 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1595722122 JBFRFBPMFXKPSD-NJDAHSKKSA-N 432.613 1.979 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1596095790 FGLUFQOFXLPUIA-UHFFFAOYSA-N 435.532 1.921 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1596814691 ZFAOEFWHXCMQFK-ZIAGYGMSSA-N 430.538 1.113 30 10 IDEE CSC1([C@H](C#N)N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1597813143 PDFMBQCAMDNTFP-YOEHRIQHSA-N 449.554 1.870 30 10 IDEE CCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1615807009 BDNMVYJRUSXCCJ-IBGZPJMESA-N 437.548 1.915 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)cc1 1620352559 UCASCFSENBFLMF-PKOBYXMFSA-N 440.504 1.236 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1=O 1622074736 QBACKAJZVOALGJ-MOPGFXCFSA-N 435.546 1.694 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCOCC3)nc2)s1 1624760294 NHYGUSIQHWNCQM-UHFFFAOYSA-N 436.559 1.303 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)s1 1626606135 HIFNZQBSCREDCX-UHFFFAOYSA-N 443.572 1.027 30 10 IDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCCOC1 1629069123 PQYHVBIVBPLMDO-JOCHJYFZSA-N 429.521 1.923 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCCN2CCOCC2)c1 1630268184 MINPNKZVKQGBGW-UHFFFAOYSA-N 431.533 1.884 30 10 IDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)C1=O 1635567953 FZIDTXKKUYIZPI-LJQANCHMSA-N 439.538 1.207 30 10 IDEE Cn1nnnc1C1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1637375118 MEYSIJKHRRGTMZ-UHFFFAOYSA-N 445.549 1.215 30 10 IDEE CN(C)c1ccc([C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)N(C)C)cc1 1640232745 YMUMWVLDZCAUSQ-FQEVSTJZSA-N 429.546 1.322 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 1641121392 ZWGXPZUPEPVTHZ-AWEZNQCLSA-N 449.554 1.685 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncns2)CC1 1641145016 FVITZQKIARXTOL-OAHLLOKOSA-N 448.574 1.340 30 10 IDEE CON(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](C)C(=O)OC(C)(C)C 1643866391 BNTGVKDYZKILBA-XJKSGUPXSA-N 430.461 1.883 30 10 IDEE CN(CCc1cccc(C#N)c1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1644228398 MCTFPZKBTUTMOA-UHFFFAOYSA-N 426.542 1.566 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C[C@H](O)CC2(C#N)CCC2)CC1 1644875527 YPLUORXIEQLAPF-MRXNPFEDSA-N 439.534 1.434 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1(=O)=O 1645296759 OWDCXJQXRFXQQG-YOEHRIQHSA-N 439.559 1.041 30 10 IDEE C[C@H](CC(=O)NC[C@]1(c2ccccc2)C[C@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1645478290 AFDQSHMWVPNDJA-ZDPZECHZSA-N 427.526 1.713 30 10 IDEE Cn1c(N2CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1652051733 IAZGGDOLLJRWHQ-YPMHNXCESA-N 445.442 1.485 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 1655924468 LVDWBMOLERTGMZ-UHFFFAOYSA-N 428.532 1.093 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)CC1 1662806509 UNACOATVDAQZTO-UHFFFAOYSA-N 438.513 1.618 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3OCc4ccccc43)CC2)cc1 1676785216 GFEGMRCFLVLPCI-FQEVSTJZSA-N 426.498 1.846 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2csc(CCc3ccccc3)n2)CC1 1678647419 RXWSOMOILQYWML-UHFFFAOYSA-N 447.586 1.223 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)NC[C@H](O)COc1ccc(I)cc1 1684426096 TXNMYYYWTQWGHQ-GJZGRUSLSA-N 446.285 1.759 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1689842954 LTIQKAQTLXKSFE-MRXNPFEDSA-N 428.518 1.819 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1689998176 DRIXOPSSWRPCHD-WJFTUGDTSA-N 434.562 1.738 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1690073757 FTQPHUDWZRSHSJ-CQSZACIVSA-N 436.563 1.037 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 1690659414 RVRUFOPKPRJUDV-UHFFFAOYSA-N 430.534 1.018 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)CC)C1 1690692473 YUXHFUHFPWRZFZ-INIZCTEOSA-N 434.518 1.890 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1691008384 ICULGFXKSSIGFA-INIZCTEOSA-N 444.561 1.589 30 10 IDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)N(C)C 1692717309 JFHJKLVHBRASIR-VGSWGCGISA-N 426.521 1.675 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@H]1O 1697068155 LSNVMGHZKAHHAQ-SZVBFZGTSA-N 442.520 1.039 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)c(F)c2F)CCO1 1698490477 CSDCHIVGMOABDS-AWEZNQCLSA-N 434.422 1.903 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1705476900 GUSBJKRRPQWQRN-IQUTYRLHSA-N 437.591 1.896 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1705552060 VJLQXIYCSVRRPX-INIZCTEOSA-N 433.509 1.127 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1705580428 JBHDNVOTBHZYAM-DEOSSOPVSA-N 443.511 1.226 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(OC)CCOC2)CC1 1705643310 ALHPIWNLHBYZGQ-DNVFCKCGSA-N 431.581 1.757 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)N2CCCC2)CC1 1705644010 FOHSZGHFURIJDM-IBGZPJMESA-N 443.596 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(C)CCCO2)CC1 1705645670 ZSWBSZBLDMTUDW-VGOFRKELSA-N 433.553 1.537 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1705698305 RYLYCHMXXQGELH-NCOADZHNSA-N 441.598 1.731 30 10 IDEE C=C(C)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728453 LATMKWPITWADBI-VQIMIIECSA-N 427.571 1.413 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1705739348 CXJMMBXRRPCEJH-OAHLLOKOSA-N 432.550 1.529 30 10 IDEE C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705800803 KBDIHHOGTIVMNS-HNNXBMFYSA-N 429.912 1.497 30 10 IDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705807075 SQGPRAUVMYLRKW-OALUTQOASA-N 443.596 1.718 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1705880214 YLGVEHTWNNJVBD-OXQOHEQNSA-N 436.534 1.160 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705898913 BUXTZAIKAIDTDH-SFHVURJKSA-N 439.564 1.284 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1705910386 AOACSYMNYYYREH-IBGZPJMESA-N 440.548 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705934174 DBMMIFJDLZFWMB-UHFFFAOYSA-N 442.607 1.694 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1707951282 INYSWDQAEYIPQH-LZICOFPGSA-N 435.488 1.138 30 10 IDEE CCN(C[C@H]1CCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1710124146 HYVNNYMHAOWQTC-SAZZCXPWSA-N 430.509 1.661 30 10 IDEE CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1710527756 BHZJMGUSQQHFNO-KRWDZBQOSA-N 440.504 1.698 30 10 IDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1710909736 SEHNDUHRKRSAHI-LHQHVEIWSA-N 426.546 1.642 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1711085363 DUELUFPISGHOQD-GBESFXJTSA-N 445.545 1.228 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1722360709 JAIMYOZSKTXSAD-GOSISDBHSA-N 440.529 1.362 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722362928 XBGQYNUUVANPNI-LJQANCHMSA-N 428.562 1.453 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1722368485 SJHAKIPBBYBKFO-IAFLDTSXSA-N 436.578 1.614 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCC1 1722401183 OLKSNFWDLQKJEG-UHFFFAOYSA-N 428.562 1.570 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CC1 1722435675 MOGADIXKUHILJH-UHFFFAOYSA-N 431.544 1.975 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722435695 SCBUTQPQEPYBKH-KRWDZBQOSA-N 446.552 1.121 30 10 IDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(COC)CCOCC2)CC1 1722440041 ZEGMEOQKLIDAIN-UHFFFAOYSA-N 444.605 1.832 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(C)=O 1722475029 RVMOJPLUYMHQPR-HSZRJFAPSA-N 436.564 1.970 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722697808 PXXRRNWNYOXHCF-UHFFFAOYSA-N 447.499 1.310 30 10 IDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@]2(CCOC2)O1 1724034936 FIJAAUSHGJPTPZ-QHCPKHFHSA-N 441.532 1.990 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C1CCC1 1727231070 LSLBJPQZYVTNOF-KRWDZBQOSA-N 431.541 1.232 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@H](C)O1 1730591662 DVSHLPJVKBBUTA-OXJNMPFZSA-N 436.520 1.818 30 10 IDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1730680059 SJDPRGNFJNKTLY-GOSISDBHSA-N 439.520 1.711 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1Cc1nncn1C 1730749967 GAFOINFKWZJMDH-UHFFFAOYSA-N 431.504 1.985 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1740624418 GSWBKPJPPQDGHE-LJQANCHMSA-N 439.545 1.177 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740625532 QSRDURSMBRZSIT-QGZVFWFLSA-N 449.602 1.472 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2CC)CC1 1740691037 SLRNAEGGXDZEFC-KRWDZBQOSA-N 430.578 1.254 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1740771723 BQTSETFKZVAFCK-HOTGVXAUSA-N 426.512 1.988 30 10 IDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1741000623 UPRCRIPDTWRMBN-INIZCTEOSA-N 442.549 1.421 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O)[C@H]1CCOC1 1747656042 GBECWQZQGDBAOR-KRWDZBQOSA-N 426.477 1.796 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)C1 1748130047 CVVYTBGGMCKQKC-JOCHJYFZSA-N 425.537 1.357 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([S@@](C)=O)CCC1 1748770545 BHBALXBZUHVQFP-SSEXGKCCSA-N 448.618 1.917 30 10 IDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCO[C@H]1C 1748772490 WPAKQQIJECCIQU-MGPUTAFESA-N 432.550 1.156 30 10 IDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1748795049 VJMLLHKDYORCTE-HYBUGGRVSA-N 438.576 1.252 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748817552 MGNZGCHWERVPHP-AEFFLSMTSA-N 448.520 1.605 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1748867893 OBUXYEHBRGIWKI-HSZRJFAPSA-N 443.548 1.031 30 10 IDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C(C)=O)CC1 1749578513 AGYRVTQJQOHSHX-UHFFFAOYSA-N 426.569 1.482 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnn(C)n1 1749590200 SEMVNEGJWPEVIS-UHFFFAOYSA-N 425.497 1.358 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1749591160 MNZQLUYVCWZCGU-SJORKVTESA-N 426.521 1.972 30 10 IDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749652153 IYEREGRGTFRJAP-GOSISDBHSA-N 446.577 1.204 30 10 IDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749689693 JBUMTXAZBAHVOW-SFHVURJKSA-N 442.545 1.915 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCCc2ccccc2)C1 1749712640 KDEJUPQSYQUKBM-VQTJNVASSA-N 425.533 1.922 30 10 IDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCS(=O)(=O)C1 1750467568 HKOFFMMIULBRNU-CQSZACIVSA-N 444.561 1.836 30 10 IDEE CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1750537072 RDDKHLQKWLQUQF-UHFFFAOYSA-N 446.519 1.508 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760149904 IINSGWRXXQHVJU-UHFFFAOYSA-N 445.545 1.853 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1760248916 FTSJKXHSUOWLMB-BEFAXECRSA-N 438.575 1.235 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760557842 XLGVQASGWOTUQM-SJLPKXTDSA-N 426.583 1.852 30 10 IDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765248533 PVBGQZQIPVXDNT-ZBKJMMEJSA-N 447.499 1.958 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](Cc2ccccc2)OC)CCOC1 1765921366 DJBBRUVIIYSBMK-TXTKFYIRSA-N 441.532 1.917 30 10 IDEE CN(CC1COC(C)(C)OC1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768822837 GQXOBEVDXHFLBR-HTXNQAPBSA-N 430.509 1.517 30 10 IDEE CO[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1769097023 ZAUHODKNDJUPQQ-VDNWDLKOSA-N 444.536 1.907 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1771040526 WXFBNBHGJOMTNO-HSZRJFAPSA-N 440.548 1.781 30 10 IDEE C=CCN(C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCN(C)C1=O 1848781114 FWWKEZJZRIICBC-AWEZNQCLSA-N 434.345 1.907 30 10 IDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2C(=O)NC[C@@H]2C2CCCCC2)CC1 1852170022 YCSNRILFSNSVMS-WOJBJXKFSA-N 425.533 1.561 30 10 IDEE C[C@@H]1CC(=NC(=O)CNS(=O)(=O)c2ccc(F)cc2)NN1c1ccc(Cl)cn1 1852360459 XKZOTDUSAZYICI-LLVKDONJSA-N 425.873 1.881 30 10 IDEE C[C@@H](CCC#N)N1CCC([C@H]2CC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1853944106 XFRQXNYBNHJMKL-LPHOPBHVSA-N 438.594 1.437 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(OC)(C(F)(F)F)CC3)C2=O)CC1=O 1854386847 HOLLWGGYWQGWAP-GJZGRUSLSA-N 431.455 1.582 30 10 IDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)c(C)c1C 1854638799 UCGBXSXYEWLIIV-MRXNPFEDSA-N 426.498 1.940 30 10 IDEE O=C([C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21)N1CCOCC1 1869927963 JSHPZQBBZZUYKV-IBGZPJMESA-N 438.509 1.677 30 10 IDEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625776 XDIQELJZEJEELF-UHFFFAOYSA-N 449.563 1.648 30 10 IDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2cc(F)cc(F)c2)C1=O 1873108768 IVEVNBVCUHSGTE-UHFFFAOYSA-N 433.436 1.668 30 10 IDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560485 ANAJYEGKXDOZGN-UHFFFAOYSA-N 426.521 1.348 30 10 IDEE C=CCn1c(C(=O)NC[C@H](c2ccc(O)cc2)N(C)C)cc2c(N3CC(O)C3)ncnc21 1873595661 MHLHXRQXGHUTGC-HXUWFJFHSA-N 436.516 1.537 30 10 IDEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(C#CCN(C)C)CC3)n2)cc1OC 1890289133 JXKTYWWAQWLYCN-UHFFFAOYSA-N 438.528 1.731 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1 1984991832 CKXCYGAEUTZAPJ-FAGJFJLWSA-N 425.526 1.828 30 10 IDEE C=C(CS(=O)(=O)N[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247903905 KPXHSPXHBQADSE-CABCVRRESA-N 446.375 1.776 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255606985 YNXOUEDCVNTNAO-CYBMUJFWSA-N 438.334 1.009 30 10 IDEE C[C@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632285 LBCIJROAZSKQCB-WDEREUQCSA-N 430.236 1.381 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COCCN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2255655827 RNZWUAQICDCNDX-AWEZNQCLSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2255658327 BOIHWYJLIYEOHM-ZIAGYGMSSA-N 436.314 1.679 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)OC(C)(C)C 2255844313 UUDVRRITDXFINF-UKRRQHHQSA-N 432.330 1.904 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(C)(NC(=O)OC(C)(C)C)C1 2255875387 XDLPVRULPJMEGO-UHFFFAOYSA-N 435.334 1.290 30 10 IDEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267115181 HBJDIIVGLHPSFZ-QGZVFWFLSA-N 439.369 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](C(=O)O)C1 2267290251 AIZGNDMSKAYNKF-HNNXBMFYSA-N 449.313 1.460 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC4(C3)OCCO4)ccc2Cl)OC1(C)C 2267419697 RUVYWDXYFIULCV-UHFFFAOYSA-N 429.731 1.777 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]2[C@H]1[C@@H]2NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267872588 JSUYVZZNWDABQX-FMKPAKJESA-N 444.341 1.904 30 10 IDEE C#CC[C@@H](CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2286052072 TZVGQOHTHSSHQD-OALUTQOASA-N 436.530 1.766 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2300304315 NEJQSIGNDOEHFC-QWHCGFSZSA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319676941 JTJWURJNXDAQMZ-ZYKFEASCSA-N 440.346 1.412 30 10 IDEE COc1cccc(C=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)c1O 2328607942 BWULVVFOOAWUBW-UHFFFAOYSA-N 434.456 1.642 30 10 IDEE CC(C)(C)OC(=O)N1CC(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)(C(N)=O)C1 2339452043 ISJFBIJYIMZEPA-UHFFFAOYSA-N 442.325 1.744 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](CCO)COCc2ccccc2)n1 2343517845 SSFKRJRVNVTKGZ-SFHVURJKSA-N 443.353 1.900 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(I)c2)CC1 45606691 SWQYAOICIKABQY-UHFFFAOYSA-N 442.301 1.150 30 10 IDEE COc1ccc(F)cc1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 102752103 QEFFXRFALPEOCO-GOBJLOIFSA-N 441.459 1.983 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 105284728 XBZAECXXIHUKKE-UHFFFAOYSA-N 439.541 1.703 30 10 IDEE COC(=O)CN(CCc1ccc(Cl)cc1Cl)S(=O)(=O)N1CCO[C@H](C#N)C1 410142171 JXFKZFLRODXPIV-CQSZACIVSA-N 436.317 1.480 30 10 IDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 439937268 BJUWYXLYQMXGNS-PSBWJHGTSA-N 439.472 1.102 30 10 IDEE N#CC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 442724501 RWAPLPVWPCEUDO-UHFFFAOYSA-N 445.545 1.527 30 10 IDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 471781129 OWVBJWVPRKOMGF-UHFFFAOYSA-N 436.396 1.891 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2cccc(F)c2)C1 508885536 QNVHITUKLVCKQE-WMZOPIPTSA-N 435.525 1.930 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 511080691 HKRJXHRCNLGGMU-UHFFFAOYSA-N 426.501 1.896 30 10 IDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(c2nccc(OC)n2)CC1 513424895 METLOSJQIQMJEP-UHFFFAOYSA-N 441.536 1.572 30 10 IDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)n1 533094689 RARFJBSPGXDRTR-UHFFFAOYSA-N 440.451 1.944 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 549693583 RNONAAZIUCKQTD-ZBFHGGJFSA-N 438.554 1.865 30 10 IDEE C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555243796 KBRABLSOVXNCPQ-HNNXBMFYSA-N 434.422 1.687 30 10 IDEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 558981821 NNUROXKLYUHJLX-UHFFFAOYSA-N 426.587 1.142 30 10 IDEE C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 561374576 BPJKZQLNEUNLGB-GOSISDBHSA-N 436.852 1.987 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(CC(=O)N(CC)CC)CC3)cc2C1=O 613541693 BDIOEXMACFOQDG-UHFFFAOYSA-N 426.517 1.485 30 10 IDEE CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 614902944 OEMQWKAMRAZYFM-SFHVURJKSA-N 439.537 1.775 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC3=Nc4ccccc4S(=O)(=O)N3)cc2C1=O 727180725 SUCSEVMUVXFTQP-UHFFFAOYSA-N 425.422 1.648 30 10 IDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1C 730143077 SVPHLOAAYFDEIM-HNNXBMFYSA-N 439.969 1.394 30 10 IDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc2c1CCSC2 746036830 GGYFSBOTGRXSGL-CYBMUJFWSA-N 448.570 1.851 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@](C)(CO)C(=O)O 757298217 ICSQRDIULPWSHI-GBXCKJPGSA-N 436.464 1.869 30 10 IDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC[C@H]2CCCO2)c1 757684949 HUDYRZLSXBYYIQ-QBEKEKFNSA-N 428.489 1.878 30 10 IDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCN1CCCS1(=O)=O 773111732 UQXATGJZVPVWNL-UHFFFAOYSA-N 425.410 1.348 30 10 IDEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1)[C@H]1CCS(=O)(=O)C1 774186629 LJDOWNYVHADAKK-IBGZPJMESA-N 426.498 1.666 30 10 IDEE C#CCN(C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)[C@H]1CCS(=O)(=O)C1 774209898 IVRITAKYOAYJBF-SFHVURJKSA-N 425.595 1.632 30 10 IDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1 781397924 PROCOQHHFTXADI-AWEZNQCLSA-N 439.493 1.758 30 10 IDEE C=CCNC(=O)NC(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]2C1(C)C 782393767 RUIUFDFLCRQAGQ-MFLXSWDHSA-N 439.509 1.640 30 10 IDEE Cc1ccc(-c2ncccc2NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 782598310 FPRZNOFTHOMMOS-ZCXUNETKSA-N 425.470 1.700 30 10 IDEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1-c1ccc2c(c1)OCO2 782766988 SVVPFFZGZPUZTJ-UHFFFAOYSA-N 434.383 1.804 30 10 IDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)n1 788694829 XSWUTPOLJJINKK-UHFFFAOYSA-N 425.894 1.794 30 10 IDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 802580910 JKKUSNIIZDSEHA-UHFFFAOYSA-N 449.515 1.937 30 10 IDEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 815411881 HMWGFBYPFXHRBY-UHFFFAOYSA-N 441.509 1.910 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)cc1 816748398 ASTGZXNWFINTDG-KXBFYZLASA-N 432.498 1.374 30 10 IDEE C=CCn1nnn(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1=S 919936410 PGFRRYZSTCUPMN-UHFFFAOYSA-N 448.496 1.978 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)C3(C#N)CCSCC3)CC2)c([N+](=O)[O-])c1 1125046861 AFMXQMLIQQSPOA-UHFFFAOYSA-N 438.531 1.684 30 10 IDEE N#C[C@@]12CN(C(=O)c3cc(Br)nc(Br)c3)C[C@H]1CS(=O)(=O)C2 1134055916 HGUQIVGCSCUWJL-ZANVPECISA-N 449.124 1.617 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1137885022 TUBMDJHZYJGSSV-KRWDZBQOSA-N 430.505 1.857 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](C#N)CO)cc2)cc1C 1140739089 BDUXZKSFZOIMTR-IRXDYDNUSA-N 431.514 1.897 30 10 IDEE N#Cc1c(CCCNC(=O)C2CC3(C2)CS(=O)(=O)C3)nn(-c2ccc(F)cc2)c1N 1141569970 WNUPCAFQRZKSSD-UHFFFAOYSA-N 431.493 1.339 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCN2C(=O)c3ccccc3C2=O)c1 1142790051 PUJSAOMUAXMLEW-UHFFFAOYSA-N 439.493 1.356 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)s1 1151537056 HHFXOWPGQZXBLC-OAHLLOKOSA-N 436.559 1.752 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)cc1 1154385236 VXFVXJPIBROYCG-NNZMDNLPSA-N 433.530 1.441 30 10 IDEE N#Cc1ncc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)nc1C#N 1162741922 IIXOLBYMXYNLJH-UHFFFAOYSA-N 426.278 1.743 30 10 IDEE N#CC[C@]1(O)CCN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1163163175 QGLDIJSVEOCCAZ-FQEVSTJZSA-N 437.518 1.174 30 10 IDEE N#Cc1cn(CCC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(=O)nc1O 1166683481 MDAOOYJZNZBDAM-HXUWFJFHSA-N 443.463 1.724 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 1177754157 DHKBNWICYLUDJI-CYBMUJFWSA-N 437.871 1.851 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1177759232 MNHKIERNEJSYQJ-MSOLQXFVSA-N 439.965 1.087 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(C[C@H]3CCOC3)nn2)cc1 1264645406 QHGSDDJRPWIPMT-FSXJBPCSSA-N 432.506 1.380 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(N(C)C)CCSC1 1286281867 JKRKOWCDIXBETF-HRAATJIYSA-N 437.577 1.816 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(c2ccc(F)cc2)CC1 1286376019 CNKCTQSFXNQSOX-SFHVURJKSA-N 447.536 1.551 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1CC 1286409459 MBSBPUAEKHSALC-OTWHNJEPSA-N 433.578 1.510 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CN(C)C1=O 1286463501 PMXWGWDEERGAIG-QFIPXVFZSA-N 427.505 1.527 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(SC)CCOCC2)CC1 1286484917 QKCYFJGSJOQULI-UHFFFAOYSA-N 443.621 1.807 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2conc2COC)CC1 1286491399 QFKKJYNTPXIFMV-UHFFFAOYSA-N 449.515 1.412 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)COCC)CC1 1286494819 SGBMKRROAQKKJR-UHFFFAOYSA-N 444.580 1.429 30 10 IDEE C=C(Br)Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1[C@]1(OC(C)C)CCOC1 1286547194 JPYGKIYSQISBRY-GUYCJALGSA-N 430.347 1.927 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(N)=O)CC1 1286565020 ODHDOZYCDFWPHP-DYESRHJHSA-N 430.553 1.474 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286782463 VXPJVTMPTRCQDK-MAUKXSAKSA-N 425.493 1.828 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286791576 WMNWXDNDWUQUOH-INIZCTEOSA-N 436.557 1.509 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286827827 CLCOFKLVJNDTTG-UHFFFAOYSA-N 431.610 1.849 30 10 IDEE CC(C)Cc1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1287477595 YFEPIQQZQXXKOM-QZQOTICOSA-N 429.569 1.781 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1288715271 UDVWEWNLTMZJLC-QUCCMNQESA-N 440.548 1.922 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(-n2cccn2)cc1 1288770874 BJBQKGKPGFTGRK-HOTGVXAUSA-N 442.549 1.861 30 10 IDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCNC(=O)C1CC1 1297269708 AAIXBMXLDRHHNM-UHFFFAOYSA-N 441.511 1.678 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1)c1cc[nH]n1 1297546410 XGKZOGLLOMIANG-INIZCTEOSA-N 449.508 1.743 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1297607156 XHARHZXLBDMBKU-HSZRJFAPSA-N 437.548 1.454 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1297769490 YNWQNURIRRVOGQ-IRXDYDNUSA-N 440.570 1.071 30 10 IDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC2(O)CC2)c1 1298096399 FQENXHMYMQNCTP-UHFFFAOYSA-N 444.561 1.850 30 10 IDEE CN(CCOC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1298752352 AFWQVSBOROZZAK-OAQYLSRUSA-N 447.561 1.618 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300497369 YLTFILMHSKQDPM-IAGOWNOFSA-N 448.520 1.605 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNC(C)=O 1300536346 VIJCQVVOGYGEIO-UHFFFAOYSA-N 442.564 1.992 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2CC)CC1 1300710503 DHZFPRLWMSHXEO-IBGZPJMESA-N 443.596 1.257 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1300719617 IXUPXJYXYPOVLE-QFBILLFUSA-N 427.553 1.706 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(C(=O)NC)c2)CC1 1300728917 JZLMLGMSXBQQPB-UHFFFAOYSA-N 434.544 1.604 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1300788261 VNIXTFOWVBECFG-WMQCIHAUSA-N 436.578 1.746 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1301003214 HGLJJLGZNMTEKD-ROUUACIJSA-N 436.557 1.446 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301577100 FBSKRVRTMJEKRE-PBHICJAKSA-N 433.509 1.400 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301587025 LGRATCIWPTZNES-INIZCTEOSA-N 435.525 1.311 30 10 IDEE N#Cc1ccc(N2C[C@@H](C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)CC2=O)cc1 1306892759 MEMYUNSLDITWPJ-INIZCTEOSA-N 432.436 1.815 30 10 IDEE CC#CCCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1312524760 DAQRHLGDLMBJJX-MSOLQXFVSA-N 433.553 1.977 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC[C@@H](CC#N)C2)C1 1313274299 FLSITKJOOKTXNC-HOTGVXAUSA-N 428.555 1.746 30 10 IDEE COc1ncccc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1315673847 DSLJOQGWASWJLA-INIZCTEOSA-N 447.499 1.848 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1358968856 ASFMUJBCJGIHJV-INIZCTEOSA-N 442.545 1.162 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCC1 1358971885 MBCZGHRKHFBXMH-UHFFFAOYSA-N 441.557 1.573 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1358992620 QUVAXDJJXGIRJO-IBGZPJMESA-N 428.500 1.630 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1358992726 URZYPQSOYGLFKH-UHFFFAOYSA-N 443.529 1.294 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1358993004 CLKNJQKIOMDSOT-YADARESESA-N 449.559 1.455 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1358994191 HDRGPUKBQVEGCO-WOJBJXKFSA-N 431.606 1.908 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O 1359021509 RBDKVRWXJPRLAB-JOCHJYFZSA-N 425.489 1.281 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)C(=O)NC)CC1 1359043057 FLRSHUKQUDGECI-UHFFFAOYSA-N 425.537 1.022 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCOCCN(C)C)CC1 1359043960 PBTLFOAUBVOVII-UHFFFAOYSA-N 439.564 1.193 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1359070106 FNULWOHRFBJLTE-FXAWDEMLSA-N 435.594 1.283 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359136144 AURGGEYJWYTQTH-LJQANCHMSA-N 429.521 1.709 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1359257248 DRIJKTICGUYPOI-HNNXBMFYSA-N 430.538 1.258 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)CC1 1359309722 CAZLIDOSENNIEH-IBGZPJMESA-N 440.548 1.611 30 10 IDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359336317 MBAXSWASCDSNBX-QGZVFWFLSA-N 449.625 1.918 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359480764 BSXMPEJGUHZXKO-JXSLOMFPSA-N 447.561 1.614 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(OCC)nn3)CC2)ccc1F 1453904172 FGEIDTIXTQYQCA-UHFFFAOYSA-N 449.508 1.441 30 10 IDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc(S(=O)(=O)N3CCSCC3)c[nH]1)C2 1456732930 HAKFUEDKMLJEOM-UHFFFAOYSA-N 437.572 1.466 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1469219701 FFWPFHHAVIRHDI-VUNQQRPYSA-N 434.518 1.208 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1503398651 BIKGFZHHFALMII-GCJKJVERSA-N 441.511 1.660 30 10 IDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1)OC 1504580811 HVGJJJDUFMKNBY-IBGZPJMESA-N 434.504 1.595 30 10 IDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1504651021 GTLJCLLBCUJCCY-UHFFFAOYSA-N 431.518 1.556 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1N1CCOCC1 1507636624 BNYZRMLIJIIMDN-UHFFFAOYSA-N 438.507 1.513 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCCC1 1507652760 IZDNILDCDLXCAQ-GOSISDBHSA-N 433.578 1.654 30 10 IDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1507727678 KZXSOERROJPYHX-UHFFFAOYSA-N 436.560 1.678 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCNC(=O)[C@@H]1CC 1508137409 ZXIKVVDJJJDSBE-AWEZNQCLSA-N 438.941 1.309 30 10 IDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1517877268 FLAUYLAEHIVFNE-SFTDATJTSA-N 445.545 1.372 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1519507754 GAIMMFBRNJIPAU-UHFFFAOYSA-N 442.545 1.356 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1519529196 GLNSYYHZPKDVGG-UHFFFAOYSA-N 425.461 1.723 30 10 IDEE C=CCN(C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1528599807 HJTDQSTXHIVVQQ-CVEARBPZSA-N 429.336 1.828 30 10 IDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3ccc(Br)c(C#N)n3)ccc21 1529891171 BZHYWNWPUMBVNX-UHFFFAOYSA-N 442.273 1.993 30 10 IDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1529946800 PYVUFLHWZRNECU-UHFFFAOYSA-N 436.530 1.357 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CC(=O)NCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539201570 AMWGNYNTITYMJH-IBGZPJMESA-N 443.573 1.387 30 10 IDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1C 1539324073 PDZWJHBIZPRVTE-UHFFFAOYSA-N 430.520 1.092 30 10 IDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C 1539362678 GBAHDYRNKJWCHL-UHFFFAOYSA-N 431.566 1.566 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1539415907 HRZRSACCJJDJIT-AVRDEDQJSA-N 446.573 1.564 30 10 IDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N1CCOCC1 1540074513 ZHSQGSAOQXMOSE-RBUKOAKNSA-N 439.626 1.939 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1540187216 MEPUGTUPCSALMU-OAHLLOKOSA-N 431.522 1.185 30 10 IDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1540872602 URKYYVACQZRHRE-UHFFFAOYSA-N 428.512 1.563 30 10 IDEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1540911864 FHZYIANHKODONL-INIZCTEOSA-N 442.545 1.020 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1541664908 QTCXGYXCQHBZAP-VGOFRKELSA-N 440.552 1.947 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)cc1 1555989294 FVNONLACDHMXNA-GOSISDBHSA-N 426.502 1.370 30 10 IDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCc3cc(C#N)ccc32)c1 1556984935 FXSULNQNPDDAOU-UHFFFAOYSA-N 440.525 1.908 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CCOCC1)C1(CO)CCC1 1557229206 KYKZXJLKCGLMCD-HXUWFJFHSA-N 449.573 1.579 30 10 IDEE C=C(Cl)C[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OCC 1557934167 HBNBDFLOMOVKAC-INIZCTEOSA-N 435.864 1.685 30 10 IDEE CC(=O)c1cn(C2CN(C(=O)[C@@H](CC(C)C)/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 1558743015 OMKFJFLILZBDKK-MRXNPFEDSA-N 444.517 1.017 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)ccc1F 1584108999 YDADDHJLFXNRLX-LJQANCHMSA-N 447.532 1.787 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588068876 BIMYITWXXHOHGN-KVSKMBFKSA-N 425.514 1.936 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cn(C2COC2)nn1 1588099575 RGLHGUHLTXMLLF-UHFFFAOYSA-N 433.472 1.246 30 10 IDEE Cn1c(C#N)ccc1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1588149000 YNPRKWJGFWGSFO-OIISXLGYSA-N 429.477 1.551 30 10 IDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1589036326 CMZRUTCOSGRLRJ-HNNXBMFYSA-N 434.543 1.664 30 10 IDEE C#CCSCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1589125378 KAESYBUJKBWQGV-GHTZIAJQSA-N 446.577 1.608 30 10 IDEE C=C(C)Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593677855 OHQDQKMKYQQLLO-HXUWFJFHSA-N 441.598 1.755 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595555528 BKADVIXKSRIWKL-AWEZNQCLSA-N 432.475 1.506 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](C)C1 1595838722 YQQNXIVWQXFYTF-YVSFHVDLSA-N 428.555 1.217 30 10 IDEE CCN(CC(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1615298210 JMMCRJJZBDKMGO-KRWDZBQOSA-N 436.538 1.606 30 10 IDEE CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617327269 RNASFFWMARATGG-KRWDZBQOSA-N 449.606 1.245 30 10 IDEE COC1(C(F)(F)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCOCC1 1619014082 DINTXMARVBZMOQ-UHFFFAOYSA-N 446.458 1.584 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC2)CC1 1619964246 KJLIIIFBEJNBDE-UHFFFAOYSA-N 437.548 1.501 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)C2)C1 1624841384 SQMHATOJHORHIC-KDDDTJCOSA-N 437.537 1.982 30 10 IDEE O=C1C=COC2(CCN(C(=O)CN3C(=O)c4ccc(Br)cc4C3=O)CC2)C1 1626983975 XOVFXNVSTGOGEJ-UHFFFAOYSA-N 433.258 1.909 30 10 IDEE C=CC1(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CN(C(=O)OC(C)(C)C)C1 1628699148 CKLJSUZTLLXHJB-MRXNPFEDSA-N 427.567 1.131 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c1 1630179416 BAQNOCDLNLWWED-UHFFFAOYSA-N 436.530 1.585 30 10 IDEE CN1C(=O)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1633138510 BOISAQGPEOBKEV-SFHVURJKSA-N 431.452 1.768 30 10 IDEE C#CCN(C(=O)c1cn(C)c2c(cnn2C)c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638331349 UHQQLZLSOLXFJK-UHFFFAOYSA-N 427.505 1.747 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1638986988 PUSZLDNMHKCWDX-UTCJRWHESA-N 437.415 1.385 30 10 IDEE C#CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CCN(C(=O)OC(C)(C)C)CC1 1644787696 FGMJUAKICBRKQW-UHFFFAOYSA-N 448.545 1.345 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC[C@H]1C(F)(F)F 1644886154 BGXMZPJJEPFUIY-NEPJUHHUSA-N 445.398 1.125 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)CCO2)cc1 1645728371 XEMYGKVZAVAVRM-OAQYLSRUSA-N 433.512 1.982 30 10 IDEE CC(C)(C)N1C[C@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 1645988291 YBLSEWLPZRMVMG-RDJZCZTQSA-N 425.489 1.526 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040948 MJURJZZGPRBBBD-OAHLLOKOSA-N 447.488 1.917 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)cc1 1651503755 WUCSUHPQPSBSKO-QRVBRYPASA-N 449.573 1.423 30 10 IDEE CC(C)(C)OC(=O)N1Cc2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2C1 1652521637 UFBAHMNFKPRTGK-BTYIYWSLSA-N 431.514 1.948 30 10 IDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C 1652988258 RKSMTKOTNZIVBV-UHFFFAOYSA-N 427.530 1.393 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccccc2CC#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1653118160 PZBCDFAOVHVQIO-MSOLQXFVSA-N 433.530 1.540 30 10 IDEE CCOc1ccc(NC(=O)CN2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 1653570503 LKUDZAKIQAJMKY-FQEVSTJZSA-N 430.549 1.713 30 10 IDEE CCn1c(C)cc2[nH]nc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2c1=O 1654661953 LFZDGEPPPOOVIX-UHFFFAOYSA-N 428.474 1.120 30 10 IDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1667395190 CUHQMHMANUCVGU-OLMNPRSZSA-N 437.518 1.725 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)c1 1672077069 QFDOHXZYSXOTQM-UHFFFAOYSA-N 437.543 1.477 30 10 IDEE C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccc(F)cc1 1674015168 RWJGSFJDNWZAFK-HNNXBMFYSA-N 436.431 1.660 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2)nc1 1674952233 ZJCFFWKLRZUSKD-NHCUHLMSSA-N 435.532 1.835 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 1679365120 BRJSOJXYGHDAGP-ZDUSSCGKSA-N 437.331 1.639 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)[C@H](C#N)C1 1679943831 CGFDXRQQDJWASW-KMVIYXDESA-N 426.539 1.400 30 10 IDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1685632558 OBACOXFWUUITKU-SFHVURJKSA-N 447.536 1.914 30 10 IDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689992488 LHNWKARQNYQBMP-GOSISDBHSA-N 434.537 1.796 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1689993977 OMEMXKGSOIFYSQ-KRWDZBQOSA-N 436.497 1.404 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1690004692 CDOQCIGVPSRPLO-UHFFFAOYSA-N 441.293 1.262 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1690059154 KFCNXDLRFKALBA-GFCCVEGCSA-N 425.584 1.545 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690082866 RFLNVTURCLNGKI-INIZCTEOSA-N 442.486 1.513 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](CC(C)C)N(C)C)CC1 1690134873 IZPJRDRIDYGOFY-ACRUOGEOSA-N 432.613 1.734 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCn2cc(C)cn2)CC1 1690146131 GSEIHKHXRKGYEG-IBGZPJMESA-N 425.537 1.691 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1690170301 DTKKNVUNVTWYSK-ZDUSSCGKSA-N 443.558 1.942 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690419665 YLFKLXKQSLDWSR-UHFFFAOYSA-N 443.596 1.517 30 10 IDEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1690459073 NFSNTAYMCFEBHN-UHFFFAOYSA-N 427.553 1.610 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690720960 WDQDYPRITQPNQJ-SJORKVTESA-N 431.518 1.481 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1691005211 YHUZKEDFMPDJHO-CABCVRRESA-N 428.559 1.022 30 10 IDEE CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1692126696 FJPYATVMRKZJKG-NRFANRHFSA-N 425.493 1.804 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cnnn1 1692210076 CGMCYXZICFMYTQ-UHFFFAOYSA-N 438.515 1.891 30 10 IDEE C#CCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705538984 GNTWFYCHBJIKJE-LEWJYISDSA-N 436.578 1.747 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)CC1 1705639050 FBLPLVAIWYMKLY-FQEVSTJZSA-N 447.580 1.487 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705644693 ZHWKRDFXKUXTKC-OALUTQOASA-N 444.580 1.443 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2COCCO2)CC1 1705646629 KVQDJACKSZWVOG-OAQYLSRUSA-N 437.544 1.889 30 10 IDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1705733941 YHXWKFVGPSYKQN-MRXNPFEDSA-N 437.508 1.180 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705739923 WGTKRIBRUFHWAA-WIYYLYMNSA-N 443.596 1.889 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1705894663 GYMXGJSCVFABFJ-FUHWJXTLSA-N 426.521 1.685 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccsc1 1705897091 FZBBKNOCYAWBMT-DZGCQCFKSA-N 438.579 1.594 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCCCCC2)C1 1705901358 JCADOIOPEJDECW-OALUTQOASA-N 443.596 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(c2ccnn2C)CC1 1705932401 SPHFWHBQTJWTSI-UHFFFAOYSA-N 442.549 1.453 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706024018 IKWWGQLAFDCOQU-JVMRMLDLSA-N 443.552 1.498 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1706648515 OTEIEVYPNMWRPQ-DLBZAZTESA-N 440.460 1.367 30 10 IDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1708188748 YEULWOULLWCKLY-MYDZZUQKSA-N 425.493 1.424 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N1CCOCC1 1708526657 BWHZEWHEYLIVRK-SFHVURJKSA-N 437.548 1.849 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 1709839989 DTVDFXBWHDVETE-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1710267686 AFPUIVCMPMOGDV-AZUAARDMSA-N 441.555 1.763 30 10 IDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1712329007 FYZZPCPCAJKSEH-SFTDATJTSA-N 428.468 1.958 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@@H]1C[C@H]1C 1712556636 AFNDGLOECDVZCV-QGPMSJSTSA-N 428.541 1.823 30 10 IDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1722314931 SXTLSRIVNGNUCI-UHFFFAOYSA-N 433.516 1.757 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1722332355 JMUDVIFBTPCZDC-PMACEKPBSA-N 428.581 1.718 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1722444950 PYZVASVXJLQSBQ-SFHVURJKSA-N 426.496 1.036 30 10 IDEE C=C(C)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1722526151 PZXADSQWSVAGHZ-HTAPYJJXSA-N 438.536 1.883 30 10 IDEE CC(C)(C)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1722968886 FDYNITITGGDGGH-OAHLLOKOSA-N 432.550 1.614 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1723630042 HMVPAFBROLOQPX-LJQANCHMSA-N 434.504 1.774 30 10 IDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1730483800 GLEVATVWDXMZHU-KRWDZBQOSA-N 427.484 1.795 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2CCCCCO)cc1 1731185308 XSKSARANYBPZLW-LJQANCHMSA-N 426.521 1.412 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740867262 CMOKEJZXPPMINI-QGZVFWFLSA-N 435.536 1.857 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(C)=O)CC1 1740952300 ZIHZOFFQJGBTCL-OAHLLOKOSA-N 430.484 1.528 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1740964219 LESBKQPQRHWLMI-UHFFFAOYSA-N 446.577 1.886 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740990111 IVNHYDGAECOEDB-FQEVSTJZSA-N 448.549 1.110 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1747658460 XZVKGDQPXSJGAR-HKUYNNGSSA-N 443.529 1.697 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C(C)=O)CC1 1748657493 CCUBPGIAZRFYNL-QGZVFWFLSA-N 438.532 1.338 30 10 IDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1748706946 WBVFSVPAFKFISV-PXNSSMCTSA-N 436.520 1.964 30 10 IDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748707587 GJKDAQWEXLMOMO-UHFFFAOYSA-N 437.548 1.124 30 10 IDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1748771968 QPWVSWLPFQYFDQ-YADHBBJMSA-N 449.621 1.596 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748823906 FHPBTQUSAILYCN-JKSUJKDBSA-N 438.941 1.306 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2C[C@H]2C)CC1 1749015731 LMFZPOQJTCTSMY-NVXWUHKLSA-N 440.573 1.891 30 10 IDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749242002 YUTDYNPYINJWOL-FGZHOGPDSA-N 449.552 1.942 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1749368413 HZXCWJYWUANDBU-MRXNPFEDSA-N 427.571 1.440 30 10 IDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749406705 MKUHBCNRFQSGLP-LJQANCHMSA-N 443.596 1.500 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCCCCC2)CC1 1749650418 WFVXNRAIXXRJAA-UHFFFAOYSA-N 445.612 1.811 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749655436 KYIXOYLXPQKASK-MAUKXSAKSA-N 447.561 1.512 30 10 IDEE COCCOC1(Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1750027955 JXJGOWOKMUKFGB-LJQANCHMSA-N 427.505 1.886 30 10 IDEE COCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1750041014 OOLZZXRQPRKLIZ-IBGZPJMESA-N 440.504 1.203 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCCN1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 1760184922 ZYCQKGSEJISBRC-OALUTQOASA-N 437.610 1.265 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1 1760226563 HMBQEIYCHWLPBK-UHFFFAOYSA-N 427.534 1.569 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOC(C)C)CC1 1760259626 DYCWFJRBTDVXSW-UHFFFAOYSA-N 435.532 1.372 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)(C)C)CC1 1760514477 GXUOCCUJARYPOJ-UHFFFAOYSA-N 433.601 1.809 30 10 IDEE Cc1n[nH]cc1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1761607207 BXXOGJBUKCZPBF-DNVCBOLYSA-N 434.570 1.683 30 10 IDEE CCCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1764561033 MTDQWVREAHWUOA-ZDUSSCGKSA-N 436.314 1.301 30 10 IDEE CCN1CCN(CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)CC1 1765577122 KFIOSXXCWDZDRJ-CNNODRBYSA-N 449.575 1.472 30 10 IDEE Cn1cnnc1Cn1c(CNC(=O)c2cccs2)nnc1N(CCC#N)CC1CC1 1767503188 HZNNRIVKUZJCNL-UHFFFAOYSA-N 425.522 1.576 30 10 IDEE CCOc1ccc(S(=O)(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)cc1OCC 1772790770 GRWDZTMSKFNBQE-UHFFFAOYSA-N 448.453 1.517 30 10 IDEE CS(=O)(=O)N1CCC(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 1850570851 UHGLSXGVEIIBRR-UHFFFAOYSA-N 441.557 1.863 30 10 IDEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCCN(S(=O)(=O)NCC(F)(F)F)CC1 1852593124 OZFUMOYPECVODU-UHFFFAOYSA-N 431.440 1.375 30 10 IDEE COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(CCC#N)CC2)c2ccccc2)cc1 1852649453 IDXYGSONUVUUFZ-NRFANRHFSA-N 442.541 1.773 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)cc1Cl 1853779737 FVKIQRXFYNDJAS-UHFFFAOYSA-N 433.873 1.894 30 10 IDEE CN(CCC#N)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 1854339634 ZFPRXFYBSVXSOW-LJQANCHMSA-N 432.546 1.838 30 10 IDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O)c1ccc(Br)cc1 1854642056 MPRUUSDVOFJMLY-VXGBXAGGSA-N 428.308 1.465 30 10 IDEE COCCn1cc(/C=N/n2c(S)nnc(CCC(=O)O)c2=O)c2cc(OC)ccc21 1873498076 LRQIXJLZEDNBIU-KEBDBYFISA-N 431.474 1.436 30 10 IDEE COc1cccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1889679061 CZRQACCEAREGFZ-UHFFFAOYSA-N 449.617 1.894 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)N3CCCCCC3)CC2)CC1 1889977210 QUKMWMPGWCAUSI-UHFFFAOYSA-N 426.627 1.229 30 10 IDEE C#CCNC(=O)CNC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2014923384 YCTJTBQWOMBRSY-UHFFFAOYSA-N 428.533 1.412 30 10 IDEE COC(=O)c1sc(C2=C(N)N(c3ccc(CN4CCN(C)CC4)cc3)CC2=O)nc1C 2084270622 IDUQZKZHQCWDLF-UHFFFAOYSA-N 441.557 1.702 30 10 IDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2124531229 BZNBZGDTDVXYCZ-OAHLLOKOSA-N 447.345 1.948 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248402987 ARRUYIGUMCJLJM-CYBMUJFWSA-N 425.266 1.344 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2255527728 QGGQUBABPFHZLD-AWEZNQCLSA-N 438.305 1.740 30 10 IDEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2255605718 NMGNHMZNIAUDOZ-GFCCVEGCSA-N 435.334 1.100 30 10 IDEE Cn1nc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2255622610 BQOORIYHVSCBNH-VIKVFOODSA-N 432.330 1.314 30 10 IDEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2255680824 TZSWXDALNYTPSV-HNNXBMFYSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)[C@H]2C1 2255694880 VKGMDBZEDBEBMM-FVQHAEBGSA-N 429.326 1.976 30 10 IDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2255825772 FNYUXTXGFFSXRY-LSDHHAIUSA-N 432.330 1.553 30 10 IDEE Cn1nc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255838274 CSYYHMPLJBFRDE-HDJSIYSDSA-N 434.346 1.752 30 10 IDEE CC(C)(C)OC(=O)NCc1n[nH]c(=NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)o1 2255847815 ZYRJNNXFZKHISZ-UHFFFAOYSA-N 434.258 1.661 30 10 IDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CC[C@@H]1OCc1ccccc1 2255880850 LVQQUKDELNJZNH-SJORKVTESA-N 426.326 1.934 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2256595256 JPPGBFPJYZJBJD-HNNXBMFYSA-N 433.314 1.693 30 10 IDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)nn1 2258953292 BCFDIHAUDYSDOV-HNNXBMFYSA-N 433.318 1.522 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CCOC1 2267002499 ZYGBYBAUSPJWBX-JOCHJYFZSA-N 447.341 1.794 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267113037 OSXBSXLTVNUUCJ-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE CCn1cc(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267179030 KIIWBXROVFQEMK-JLCFBVMHSA-N 446.357 1.941 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CC[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2267542639 VADAHNSDSIKNDM-ASSNKEHSSA-N 447.345 1.244 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267594417 BYJJTFDGQDNIAD-PBHICJAKSA-N 447.341 1.338 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ncc(C#CCO)cc1F 2283640966 JLOXUUMGQSXXTM-UHFFFAOYSA-N 431.445 1.383 30 10 IDEE COc1cc(C=Nn2c(SCCO)nnc2C2CC2)ccc1OCCN1CCOCC1 2320906810 NVAQTACGWJVYPM-UHFFFAOYSA-N 447.561 1.842 30 10 IDEE COc1ccc(OC)c(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 2325610894 HITDMFNSCUTIMM-UHFFFAOYSA-N 432.454 1.750 30 10 IDEE NCC#Cc1csc2c1CN(S(=O)(=O)CCN1C(=O)c3ccccc3C1=O)CC2 2336459059 UJXBRQRGODVWQQ-UHFFFAOYSA-N 429.523 1.042 30 10 IDEE COc1ccc(-c2ccc(=O)n(CCNC(=O)COc3ccc(C#N)cc3)n2)cc1OC 13602420 SXCYTRBROQUBGI-UHFFFAOYSA-N 434.452 1.994 30 10 IDEE Cn1c(=O)c2c(ncn2CCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)n(C)c1=O 18185954 WKOPROPZNCLNSX-UHFFFAOYSA-N 435.469 1.458 30 10 IDEE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1nncs1 20916129 DBJWBYSFGVTHQM-FBCYGCLPSA-N 441.502 1.879 30 10 IDEE COc1ccc([N+](=O)[O-])cc1C=Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252628911 TUQCZPWBJWCWIB-UHFFFAOYSA-N 429.437 1.212 30 10 IDEE CN[C@](C)(C#N)CCn1cnc(I)c1I 308799516 JWAPCUIQNBOBAD-VIFPVBQESA-N 430.031 1.984 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c(OC)c1 489129681 ZMOCVEQPQQFEIU-UHFFFAOYSA-N 430.486 1.426 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)cc1C#N 489669794 WBUMQBHKAQUIDS-MRXNPFEDSA-N 435.303 1.886 30 10 IDEE CCc1c(C(=O)N2CCN(c3ccccc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 513821142 CPVNNRYXRPHLGK-UHFFFAOYSA-N 432.484 1.029 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccccc1C#N 515656743 ABAHFDGTMWFHLX-UHFFFAOYSA-N 448.454 1.854 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cc1C#N 533544803 JNAWAIWUXKVPSY-INIZCTEOSA-N 449.532 1.699 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCN=c3cc[nH]cc3)c2)c1 533814493 JUFVAXCLYDESCQ-UHFFFAOYSA-N 442.475 1.857 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1Cc1ccccc1 538496439 JCJJMJGQGJDMLD-UHFFFAOYSA-N 448.548 1.699 30 10 IDEE CCn1c(=O)nc(O)c2c(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc(C(C)C)nc21 546906303 UFQFVURKXVZWNF-UHFFFAOYSA-N 447.499 1.869 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@@H]3CCCCO3)CC2)c1 549660209 NQHLNULIHYMXGH-OALUTQOASA-N 439.520 1.528 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Cn3ccccc3=O)cc2)cc1 554996789 DAGAOSHIPAGGGZ-UHFFFAOYSA-N 436.493 1.363 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 577983807 QUVOGFZHKMELAL-UHFFFAOYSA-N 449.577 1.313 30 10 IDEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c(C)c1 603798233 KGIVIYRYMZABCD-SFHVURJKSA-N 437.565 1.796 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(COC3CCOCC3)c2)CC1 604197608 OVKMKJAOXAXHSM-UHFFFAOYSA-N 430.549 1.512 30 10 IDEE Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)ccc1S(N)(=O)=O 609911448 IXXMSHAWNBXZSM-INIZCTEOSA-N 430.511 1.668 30 10 IDEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c(OC)c1 619106186 YECINKBIKJNPLJ-QGZVFWFLSA-N 435.484 1.672 30 10 IDEE Cc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn4ccccc34)c2=O)cc1 729668499 KMLBTWAOQROOPD-UHFFFAOYSA-N 443.532 1.883 30 10 IDEE COc1ccc(CNc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])cc1C#N 746711237 RKQWZNFUBIYDRU-UHFFFAOYSA-N 433.490 1.927 30 10 IDEE CCOc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751699385 NKKWTQNJYYINDQ-AEFFLSMTSA-N 434.562 1.874 30 10 IDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C#N)cc1 759828665 PWBOPUAIJPUFJE-HNNXBMFYSA-N 430.482 1.730 30 10 IDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)C(=O)C1 777394330 ZXHONPWNNAJBCD-AZUAARDMSA-N 442.516 1.662 30 10 IDEE COc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)c1 1084224466 HEQTUWZIRBODKB-UHFFFAOYSA-N 444.521 1.796 30 10 IDEE COc1cccc(C=NNc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1O 1084317161 CZWMQRPHIFWADX-UHFFFAOYSA-N 441.517 1.869 30 10 IDEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)cc1 1084493670 GLQCBKLHKPTIHV-UHFFFAOYSA-N 444.521 1.796 30 10 IDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3)n2N)cc1 1084542715 BZSNEKISPDLCMN-UHFFFAOYSA-N 425.474 1.955 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)[C@H](C#N)C2(SC)CC2)c1 1132904113 ORAHPXSHDMFNOP-OAHLLOKOSA-N 426.564 1.125 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCNc1ncccc1C#N 1136424110 LKUZEVFLRLMZNK-UHFFFAOYSA-N 429.502 1.125 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 1149700999 UVTHTYKDNOCVSO-IAGOWNOFSA-N 443.522 1.246 30 10 IDEE N#C[C@@]12CN(C(=O)Cc3csc(NC(=O)c4ccccc4F)n3)C[C@H]1CS(=O)(=O)C2 1156669533 CPMRBMIMMLXRDU-BUXKBTBVSA-N 448.501 1.474 30 10 IDEE N#Cc1ccc(NCC(=O)N2CCC[C@H](n3nncc3I)C2)nc1 1175732346 JZGGCPPCSAYAOH-LBPRGKRZSA-N 437.245 1.425 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)C2=O)cc1 1178547474 LLLXWIVCTKPFSX-WBVHZDCISA-N 444.513 1.379 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(O)(C4(C(=O)OC)CCC4)CC3)cc2C1=O 1180728833 JMOMVMZMFHBHPG-UHFFFAOYSA-N 426.469 1.779 30 10 IDEE CCCN(CC(F)(F)F)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1192079652 AVCTYXQVEWMSHC-UHFFFAOYSA-N 432.468 1.665 30 10 IDEE COCCOC1(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCOCC1 1225937282 IXGVMQLBRUTALF-JKSUJKDBSA-N 426.514 1.257 30 10 IDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286358669 NUELKTGXOLABSF-LPHOPBHVSA-N 427.509 1.002 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286394789 WSWMBLXNYHVPJF-RTBURBONSA-N 429.546 1.317 30 10 IDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1286395133 LHEDRIOYJRSBBS-GOSISDBHSA-N 425.514 1.765 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1286454713 ZXUBAYVWEDWSOP-JTQLQIEISA-N 436.485 1.871 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1286483490 NDROCXVYKGPNGC-VQTJNVASSA-N 428.581 1.751 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCSC2)CC1 1286485503 NQPFOQYINDCOAC-QGZVFWFLSA-N 444.605 1.623 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1286509094 VBEGQMNTBZQUPM-UHFFFAOYSA-N 430.500 1.451 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CC2)cc1 1286795674 DAGKTIZTLYCJCO-LJQANCHMSA-N 447.561 1.823 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2NC(=O)CC2(C)C)C1 1286804140 LUYZEVZZJCRVLY-YVHKJVDXSA-N 433.553 1.626 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1 1286820208 HBXLLJVGYNIZOD-KRWDZBQOSA-N 439.582 1.255 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1288531778 SSUQLSRRYOEHTN-KFWWJZLASA-N 440.570 1.832 30 10 IDEE C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1291162371 PLFJFMGYBCFPHW-MMYRVIJDSA-N 441.536 1.628 30 10 IDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)OC 1292184832 NXRVLYZUJPPTRA-ROUUACIJSA-N 437.504 1.714 30 10 IDEE CN1CCn2ncc(C(=O)N3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)c2S1(=O)=O 1297321086 CXWQRUVFMXQYFE-QGZVFWFLSA-N 448.936 1.193 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300267905 MBNNZJREUFSXGV-SJORKVTESA-N 437.552 1.473 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1300403358 KKKOITPQMKQCOE-CQSZACIVSA-N 426.443 1.538 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300502466 VFCWAMOYVRTNSB-GOSISDBHSA-N 432.571 1.904 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1300732819 PUHAGXKEAKWXGP-UHFFFAOYSA-N 448.593 1.938 30 10 IDEE COC(=O)[C@]1(OC)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1301020448 GKDJURWIJIBHIL-FQEVSTJZSA-N 437.518 1.076 30 10 IDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1301433097 KEOPUNPHWLEKAF-HOTGVXAUSA-N 425.530 1.918 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1301491627 USLXVUNJKSETII-QGZVFWFLSA-N 426.521 1.664 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301502257 DWYREKRFDNVOSX-UHFFFAOYSA-N 442.612 1.841 30 10 IDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1301613328 WAKUFRIQTOPRCA-LSDHHAIUSA-N 428.584 1.269 30 10 IDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1304843774 ZJYAHFLPJGSADE-CKEIUWERSA-N 434.880 1.130 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)cc(OC)c2)CC1 1310503436 WWHDFOSLFNOZLO-UHFFFAOYSA-N 431.312 1.075 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1314511700 BVNHPRMMNKIYJR-AYOQOUSVSA-N 447.561 1.616 30 10 IDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CCO1 1315014198 BOVOJOCENAIHLD-FQEVSTJZSA-N 447.499 1.432 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1315961949 BUSRLTUZZWBIFL-UWJYYQICSA-N 426.477 1.245 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC(F)(F)F)CC1 1358930317 SHSNOYJXAVOJCH-OAHLLOKOSA-N 433.500 1.668 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](CCC)OC)CC1 1359031767 OOLNGBKURALOOP-LJQANCHMSA-N 445.589 1.919 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1359059469 ODQSHVMDUHDMQA-QGZVFWFLSA-N 425.518 1.900 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNC(=O)C(C)C 1359103976 WFFDNEAUIFKGLC-YLJYHZDGSA-N 432.569 1.590 30 10 IDEE Cc1cc(C#N)cnc1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1437858333 YOYHDQKAQRATTN-UHFFFAOYSA-N 442.520 1.692 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1441706984 AYXDUVXYRCRQAC-QGZVFWFLSA-N 436.383 1.838 30 10 IDEE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)cc1 1453215385 LUIAAWJNMJWEAC-WBVHZDCISA-N 428.514 1.629 30 10 IDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1461541395 HCFFAIDDSSEIRQ-UHFFFAOYSA-N 446.554 1.444 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCOc1ncccn1 1469573830 MAULUONGRWZHRF-INIZCTEOSA-N 431.518 1.515 30 10 IDEE CC(C)CN(CC(F)(F)F)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1473069266 MGAFDYJBMGFVFG-UHFFFAOYSA-N 446.426 1.270 30 10 IDEE N#Cc1cccc(CS(=O)(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1 1475294040 HTCBFKSTTNWADT-SJORKVTESA-N 445.463 1.936 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1499162038 DXEBRQHJKPJMPY-OALUTQOASA-N 438.580 1.933 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@H](C)O1 1504710420 AQTQGLQHJQORQB-JXFKEZNVSA-N 436.520 1.818 30 10 IDEE COCCCOc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1504835695 KPDGJLHWVPSOEX-IBGZPJMESA-N 442.520 1.609 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NCCC 1507520765 QTZSSWTTYABPRX-OAHLLOKOSA-N 445.593 1.921 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1Cc2ccccc2O1 1507538605 NXFHTPKWJXIVIG-KVSKMBFKSA-N 445.545 1.073 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1507539691 XLSLBRAWMGOGRZ-HZPDHXFCSA-N 425.624 1.466 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507631647 FSMPGXCTUNWYSY-YRXWBPOGSA-N 436.578 1.350 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1507724486 FXJOTXFBTTXPJR-UHFFFAOYSA-N 429.528 1.845 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1507737891 CQANFBOZNBFPRK-OAQYLSRUSA-N 442.608 1.748 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1507771846 DYZDVLTWHRVWTQ-LAUBAEHRSA-N 442.545 1.574 30 10 IDEE C=C(Cl)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1507872273 CEPFSTMQVSIBCB-FQEVSTJZSA-N 449.943 1.808 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508073762 LKFXLOKLFPHKKT-OAHLLOKOSA-N 426.587 1.344 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCOC[C@H]2C1 1508075144 VEWOYQNTASZDEN-OAHLLOKOSA-N 434.903 1.561 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2cccn2)CC1 1508139833 DVTRADRBDYUELF-IBGZPJMESA-N 448.593 1.886 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C1CCCC1 1508145316 LOBWDJBBOQNWHS-HNNXBMFYSA-N 430.596 1.550 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1509957198 VOCAWDJDGVCAGX-JKSUJKDBSA-N 442.611 1.289 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@](C)(O)c1ccc(F)cc1 1510147355 BRDWZTXIUSDDRG-TYILLQQXSA-N 438.529 1.673 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c(F)cccc1F 1510217598 IAZUQQJFOFDLQK-STQMWFEESA-N 440.476 1.138 30 10 IDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1511888771 FYZXVWCPUBPJAK-HUUCEWRRSA-N 441.540 1.877 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(OC)CCOC2)c1 1518049963 CXBVYSTVDFOKAG-WIYYLYMNSA-N 429.477 1.497 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)c2C#N)C1 1529938190 GQCZNMLGJDHYPP-UHFFFAOYSA-N 429.502 1.718 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC(=O)NC)c1 1539045415 DYZQZJWBLIGFFC-UHFFFAOYSA-N 431.500 1.456 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1539239725 PXTAZCJOOVSNRV-JKSUJKDBSA-N 433.509 1.568 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1539292010 YUIZWAXRARGDRL-UHFFFAOYSA-N 439.541 1.451 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cn2cccn2)c1 1539343594 NBXNMPVWRYHVRC-KRWDZBQOSA-N 441.561 1.641 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1539389833 DNJPYMLIELVWAK-UWJYYQICSA-N 429.521 1.876 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2COCCO2)CC1 1539434588 OJHFURMYWCCYQG-FQEVSTJZSA-N 427.505 1.133 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)CC(F)(F)F)CC1 1539475707 NAKHVPBMSJDIEK-UHFFFAOYSA-N 437.470 1.733 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1539484068 BFETZWKQPXNKBK-UHFFFAOYSA-N 435.532 1.598 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1 1539722970 VMQYROYXBXXABY-QGZVFWFLSA-N 437.508 1.951 30 10 IDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539758049 BCYSWJALWQJSSU-IBGZPJMESA-N 445.545 1.945 30 10 IDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1539811739 GMBMPAMKCQPUGR-UHFFFAOYSA-N 444.923 1.821 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1540869684 UPQDBGPGLVFTAO-NVXWUHKLSA-N 441.511 1.386 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1540871222 GZWBXCQYKZHUCC-CVEARBPZSA-N 444.502 1.795 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCSCC2)CCOC1 1541725786 OSUZPAOVJVBDHT-VQTJNVASSA-N 438.573 1.809 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1CCOC1 1545921463 UXWAFURVUMAYLF-VQIMIIECSA-N 429.569 1.800 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1547750096 GOWQNQKWJHPAAO-SFHVURJKSA-N 437.504 1.620 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1554352946 MRFVSGNHYABKKJ-PMACEKPBSA-N 446.508 1.269 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1554790859 AHTJXNBNJWDLRO-MRUHUIDDSA-N 431.468 1.944 30 10 IDEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1555120356 AXJMWOFLJDCVKX-UHFFFAOYSA-N 441.517 1.254 30 10 IDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1555499981 KPFJQNDMRFMQKN-AEFFLSMTSA-N 426.477 1.700 30 10 IDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cc(F)c(F)c2F)CCO1 1555994109 FVOSMNJZXYAIKI-LLVKDONJSA-N 438.385 1.734 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1556132436 KSRRMNCYFYHAAA-YOEHRIQHSA-N 436.534 1.734 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)[C@H]1CCS(=O)(=O)C1 1565076624 OGZZEHWCXCQDCE-ZWKOTPCHSA-N 425.938 1.377 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 1583046593 KZZNPKDHVMLCFU-MRVPVSSYSA-N 425.920 1.884 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N(C)C 1588161913 BRXHEWWPPMXCAT-UHFFFAOYSA-N 430.306 1.781 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccco2)N(C)C)CC1 1588733675 YIENTNRBAGGLKN-GOSISDBHSA-N 425.537 1.165 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)C2CC2)CC1 1588967741 ANBQMPSTKITJKD-WCAVRKLYSA-N 445.564 1.129 30 10 IDEE C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589434587 NBMRAAZGXGMLSO-CYBMUJFWSA-N 426.340 1.790 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCCO1 1589495237 PVXPEBHKTQBJCA-TVFCKZIOSA-N 441.598 1.875 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1593695474 FKAWFZIQLHQHHW-HOTGVXAUSA-N 425.493 1.233 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1 1595759919 HNRQJXHXDZPIQL-AWEZNQCLSA-N 433.600 1.258 30 10 IDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1598088715 DELPVNAUOYVICO-UHFFFAOYSA-N 444.561 1.602 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1618564963 DWZCNSRYQIIWLO-SFHVURJKSA-N 437.548 1.809 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 1625810430 RPZWVGHXHCZENB-UHFFFAOYSA-N 441.435 1.673 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)s1 1625812325 NVZUMKPQLAHFHH-UHFFFAOYSA-N 443.572 1.610 30 10 IDEE C#CCN(C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1626434971 PJDPPBRLCDZCKX-MRXNPFEDSA-N 433.530 1.637 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1626877026 NARRXWFFRYBAEE-MRXNPFEDSA-N 428.961 1.789 30 10 IDEE C=CCC[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OCC 1627753170 XHCQBODTAWOFCT-KRWDZBQOSA-N 433.530 1.862 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)cc1OC 1628339252 PIRZCKOLYQMYDM-VURMDHGXSA-N 428.533 1.785 30 10 IDEE Cn1cc([C@H](O)CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)cn1 1631221194 SLYRQZAAXRMYOL-RTBURBONSA-N 425.489 1.976 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)C(c2ccccc2)c2ccccc2)c(=O)n1CCO 1644178988 JWKAUJZQBLCWAU-UHFFFAOYSA-N 432.480 1.430 30 10 IDEE CS(=O)(=O)c1ccc(N2CCN(C[C@H](O)c3cccc(C#N)c3)CC2)c([N+](=O)[O-])c1 1644876149 IKDYSFVFBUEWKU-FQEVSTJZSA-N 430.486 1.726 30 10 IDEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)OC 1645503935 ZEHULTBEGDSGBK-KRWDZBQOSA-N 440.518 1.344 30 10 IDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c(=O)n1C1CC1 1656801438 HLKYNESYKLXEQK-HUUCEWRRSA-N 437.500 1.777 30 10 IDEE COC(=O)C1([C@]2(O)CCCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)CCC1 1660338297 LNPNONFWTCTPTF-QHCPKHFHSA-N 437.500 1.853 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@](C)(CO)c2cccc(Br)c2)CC1 1660530789 JSWDYONXCDRFCS-ICSRJNTNSA-N 437.382 1.939 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCn2c3ccccc3c3ccccc32)CC1 1679371140 WYSPUIXKGRBBRW-UHFFFAOYSA-N 439.541 1.589 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689978450 VYRXDBNUTGGRPN-HRCADAONSA-N 428.518 1.208 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690150571 MQTATFKPLFDNIP-LJQANCHMSA-N 441.624 1.222 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690261418 LCEUTXLSPCIZFV-UHFFFAOYSA-N 435.532 1.949 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1690577698 LLXPYOXTBVBBIG-OAHLLOKOSA-N 433.563 1.726 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](C)C1 1690672420 RDTDOKRPYIBIMP-IXDOHACOSA-N 448.568 1.981 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1692500863 UMYHIQJCPQWOAL-QHCPKHFHSA-N 435.532 1.935 30 10 IDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1697698121 HWFJULZFBRVOQA-IPMKNSEASA-N 445.545 1.492 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc(CO)nn2)C1 1698483907 LLJZDTBKYZZPDB-HXUWFJFHSA-N 446.437 1.763 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705522839 GKAIYYHCCYZTRO-FUHWJXTLSA-N 440.935 1.990 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1705551275 KPDNKVPMRFEFIN-APWZRJJASA-N 443.573 1.826 30 10 IDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1705562061 XKUHNCJFDSBRTR-WIYYLYMNSA-N 436.578 1.912 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1705627718 OCMZCDQZVPGNEZ-FQEVSTJZSA-N 433.516 1.608 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC2(C)C)CC1 1705645562 XVLQOXXPPYQJPA-FDDCHVKYSA-N 429.565 1.942 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCN2CCOCC2)CC1 1705646450 YRQSUFAOJSUWQT-UHFFFAOYSA-N 436.560 1.633 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC)[C@@H](C)C1 1705930380 LWXPRUVYGOJFRK-INIZCTEOSA-N 447.565 1.057 30 10 IDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1706036494 IDMRQEVAUSYUKS-WMZHIEFXSA-N 437.548 1.236 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)C1 1710351554 ZUSKBKOXIFUJBS-KRWDZBQOSA-N 446.558 1.961 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCOC(F)(F)F)c1 1712878152 HHVZCYLTTSMDPA-HNNXBMFYSA-N 435.410 1.957 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1722373833 RIGBKSHQAPOLRY-QGZVFWFLSA-N 442.545 1.217 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722383731 QQGMVRYLORIYRJ-WOJBJXKFSA-N 426.565 1.188 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCSC)CC1 1722440410 GBOQQVATXVZFID-UHFFFAOYSA-N 432.594 1.623 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1722518098 UJNJGOLEPBJKOY-SFHVURJKSA-N 441.598 1.830 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1722693509 QBTQBOBWBYXBIX-RDJZCZTQSA-N 447.561 1.655 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](COC)C1 1722698692 KMMVMYJDNCIYAD-APWZRJJASA-N 427.505 1.956 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722724650 CCKWYNRFUYZWCR-RBUKOAKNSA-N 439.626 1.941 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(Cn2ccnn2)CC1 1722728443 UNVFGPAAZTYRKN-UHFFFAOYSA-N 430.538 1.382 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1729559071 OWDUAOPFEPEWLE-UHFFFAOYSA-N 444.561 1.471 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1730762547 GHYSJTHAIXISNG-HUUCEWRRSA-N 443.474 1.480 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1c(O)nc2ccccc21 1730875275 KXCWDHCMAXROOY-HOTGVXAUSA-N 441.492 1.486 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1740622301 BNDOGBQSYZLYPH-XBBWARJSSA-N 446.598 1.709 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740710049 PMASDGQCOIQKMK-CSODHUTKSA-N 433.578 1.653 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740715704 DTVUJTCAGICLBC-CQGGRAHPSA-N 431.587 1.969 30 10 IDEE C=C(C)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740789922 SIPQDRQEORBIJK-KRWDZBQOSA-N 444.923 1.338 30 10 IDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740827233 NYYZRJMZAPIUTB-UHFFFAOYSA-N 437.591 1.730 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740957402 MMISSJHTGOIZOA-NRFANRHFSA-N 447.543 1.498 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1741016632 IZKYLHWDHFNOLW-FPOVZHCZSA-N 438.532 1.927 30 10 IDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1741876435 DEAQTNXBUDHNOQ-UZUQRXQVSA-N 437.548 1.487 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1748673224 ZRJNHRRMWDULNF-HOIFWPIMSA-N 425.537 1.450 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1748809774 WASKBIKCEFPJND-GOSISDBHSA-N 425.514 1.480 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1748857487 ANJMNVOXCUFDEV-IDYZSHNDSA-N 431.562 1.264 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCCCC2=O)CC1 1748971644 XZLPOEBNFRWCMO-UHFFFAOYSA-N 443.596 1.354 30 10 IDEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCS(=O)(=O)C1 1749142352 YFRHQMKFTNGVQJ-LJQANCHMSA-N 427.571 1.149 30 10 IDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCS(=O)(=O)C1 1749149223 WNFNSLCJGAYRMZ-HXUWFJFHSA-N 434.518 1.626 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1749171297 ULCPNSSAUDVSEL-MRXNPFEDSA-N 429.612 1.911 30 10 IDEE COCC[C@](C)(O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1749618430 QCPUKSSAVOGPSQ-QFIPXVFZSA-N 427.553 1.956 30 10 IDEE C=CCn1c(COCC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1749642663 ZTHDZLAKIXISOU-KFWWJZLASA-N 441.554 1.127 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1749829891 AHEFWTVBPZEUHE-KRWDZBQOSA-N 446.577 1.919 30 10 IDEE C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1760307679 UVENEOFELAJCCD-ZDUSSCGKSA-N 432.344 1.286 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760328577 YAHBGWVNDIONTO-GHTZIAJQSA-N 434.585 1.442 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@]2(C)CCCO2)CC1 1760402646 PYYHCOSQSVLJCI-FXAWDEMLSA-N 439.582 1.583 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1760549065 VPWMREDXRQGYRJ-MRXNPFEDSA-N 435.550 1.948 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1760554675 JRIVWUAFUGUDEQ-UHFFFAOYSA-N 446.577 2.000 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC(C)(C)C1 1763034461 FUIXLEFHWNBWJS-QGZVFWFLSA-N 437.548 1.594 30 10 IDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1765588892 BYYVPAXFRZUGEY-GOSISDBHSA-N 437.548 1.941 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1 1770740378 FLLRHAQMEUXQQG-MSOLQXFVSA-N 429.546 1.849 30 10 IDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CCC 1854400534 BWBJXMQGNGXOMX-SFHVURJKSA-N 433.530 1.700 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1 1858335358 UESQXZDDDNQTRM-HNNXBMFYSA-N 425.919 1.953 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3CCN(S(=O)(=O)CCCC)CC3)cc21 1858630712 XNDDCILFJBRWIB-KRWDZBQOSA-N 449.573 1.917 30 10 IDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1 1858763316 VOXHVQCRNPVISH-UHFFFAOYSA-N 440.456 1.721 30 10 IDEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCNC(C)=O)ccc1O 1862594032 OIAVESDPQMSQFP-IBGZPJMESA-N 426.425 1.821 30 10 IDEE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(C#N)cc1 1866608192 CXJIMQPGGBNQLO-HNNXBMFYSA-N 447.495 1.863 30 10 IDEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN3CCCCC3)OCC(=O)N2C(C)C)cc1 1889303433 QJRFMGUORNWQTL-DHIUTWEWSA-N 427.545 1.978 30 10 IDEE C#CCOC1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2Cc2ccccc2)CC1 1891157523 GACMOCXSWHFPOY-UHFFFAOYSA-N 434.496 1.341 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2085301169 FNJMRFYDWRZGJG-HNNXBMFYSA-N 437.346 1.935 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@@H]4CS(=O)(=O)C[C@H]4C3)c(Br)c2)OC1(C)C 2172779419 CEKYHJTZCFCUKY-VXGBXAGGSA-N 443.172 1.624 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCOCCNC(=O)OC(C)(C)C)C1 2243279486 MVHSTCRISBRXAX-UHFFFAOYSA-N 425.526 1.951 30 10 IDEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243666061 YMJSXHVKHLEDJZ-NSHDSACASA-N 427.332 1.903 30 10 IDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@@H]3OCc3ccccc3)[nH]n2)OC1(C)C 2255626611 IATUUFIHEHPHQK-WMZOPIPTSA-N 427.310 1.813 30 10 IDEE CCc1nn(C)c(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255627391 SDIVWHWKXOFKAX-CYBMUJFWSA-N 436.362 1.925 30 10 IDEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H]1NC(=O)OC(C)(C)C 2255645625 QKNZFQIWBFCILD-UKRRQHHQSA-N 432.330 1.761 30 10 IDEE CCn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653828 OKOJPQGOGAORCU-CQSZACIVSA-N 434.346 1.941 30 10 IDEE C[C@H]1C[C@H](NC(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255654479 XOBCCNUEFQEFBG-KBPBESRZSA-N 434.346 1.847 30 10 IDEE COCCN(CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2255826333 OMMIYGRNPDOKDR-UHFFFAOYSA-N 438.334 1.322 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 2256613535 JJYOWVJOSPJXBA-KRWDZBQOSA-N 434.342 1.830 30 10 IDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256912671 WNBGWYPCVHZTHJ-XJKSGUPXSA-N 429.282 1.497 30 10 IDEE Cc1cnc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2267112856 MTBHVAZGAWVZQM-CVEARBPZSA-N 447.341 1.711 30 10 IDEE C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267177419 NFWXPEUEZSYHBO-VXGBXAGGSA-N 444.263 1.391 30 10 IDEE O=C1NC(=NS(=O)(=O)c2ccccc2)SC1=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 2296766366 FAJRVLBSDPFARW-UHFFFAOYSA-N 430.423 1.866 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 14729116 YNAHBWSOVDPGTM-UHFFFAOYSA-N 427.529 1.119 30 10 IDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2F)[C@@H](C#N)C(=O)N3)C1 72445693 RIIZKBHUXGSCKQ-XPKDYRNWSA-N 439.447 1.912 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)cc1[N+](=O)[O-] 438904032 XTYUPOSNAXHVHT-UHFFFAOYSA-N 444.469 1.930 30 10 IDEE COc1cc(CNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)ccc1C#N 460579140 ZKAPOLFGPHPLAU-UHFFFAOYSA-N 442.541 1.644 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 460812646 XVBUMCSKSYHRQE-LJQANCHMSA-N 431.562 1.791 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cn1 462083556 HXOYHMNMECMAQN-IBGZPJMESA-N 430.472 1.515 30 10 IDEE Cn1cc([C@@H]2CN(C(=O)c3ccnc(C#N)c3)CCN2C(=O)c2ccnc(C#N)c2)cn1 476667059 VHSIGIBJWURUFS-FQEVSTJZSA-N 426.440 1.293 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CCCN(c3cccnn3)CC2)c(C#N)cn1CCOC 481394771 XHLBSGRLNBFMBY-UHFFFAOYSA-N 441.492 1.717 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 483471091 DLLVQYGBPMPLIM-CJNGLKHVSA-N 428.536 1.260 30 10 IDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O 487968567 NLWNBCGQCXOANH-IBGZPJMESA-N 444.488 1.895 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 508497900 OGDXBVQZQZJXSZ-MOPGFXCFSA-N 446.577 1.878 30 10 IDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 508995298 KPQOFVBQECHGKQ-UHFFFAOYSA-N 446.939 1.983 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)C2(CC)CCN(C(=O)c3ccccc3)CC2)CC1 510205303 GOPBAVOJEFJVTP-UHFFFAOYSA-N 426.561 1.765 30 10 IDEE C=CCOc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 521133003 CLJLHHXAMRWDET-IPMKNSEASA-N 434.558 1.977 30 10 IDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 522109729 RVEIWXJZQYFFGE-UHFFFAOYSA-N 440.521 1.972 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 531485639 YPXPTJOPOPGGIZ-UHFFFAOYSA-N 431.495 2.000 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 554963589 DXCPQVRWXGXEQM-UHFFFAOYSA-N 440.469 1.080 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCOC2)CC1 555450135 SQGFRJYEJIKKRQ-SFHVURJKSA-N 440.548 1.414 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)c(F)c1 585704383 PKOKGUUOMMLHND-UHFFFAOYSA-N 438.868 1.062 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2ccc3ccccc3n2)CC1 585708676 TWLOIDLEZWHTRQ-UHFFFAOYSA-N 430.468 1.937 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(C(N)=O)cc1 588156723 UQXUVEDCRLJMSC-UHFFFAOYSA-N 436.518 1.327 30 10 IDEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589440850 HKDOIRDNSOASCJ-SFHVURJKSA-N 426.542 1.960 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 590914339 KFPRTSBVPNZJRA-QGZVFWFLSA-N 429.517 1.503 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@H]3CCCO3)c2=O)c1 590914696 RKYLELAKKKPHES-LJQANCHMSA-N 437.565 1.959 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(Cc3cccnc3)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 603553152 FGKSDJGXPPBJLO-QGZVFWFLSA-N 439.493 1.693 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C 603800832 XZXPTKXPUBMFLL-UHFFFAOYSA-N 439.562 1.925 30 10 IDEE C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671665491 BOLCKOCDUHFLQE-SFHVURJKSA-N 430.530 1.851 30 10 IDEE CCCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 681359087 UBKMSHKVSHDXDM-UHFFFAOYSA-N 437.565 1.823 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cccnc2OC)C1=O 726399870 GDHNLLQKNHFYRO-OAHLLOKOSA-N 427.486 1.457 30 10 IDEE N#C[C@H]1CN(C(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CCN1C1CC1 732651925 JXXQSDYFWPVLOA-VXKWHMMOSA-N 432.528 1.311 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 733890570 FXGRDNBFYHOTQD-ZZEZOPTASA-N 442.501 1.359 30 10 IDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1=O 749840640 MQGDXEIJBUZBMY-FQEVSTJZSA-N 444.444 1.507 30 10 IDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1C#N 752382052 NEAIUYIKRAEJIB-UHFFFAOYSA-N 441.488 1.926 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)Nc1ccc(CC#N)cc1 755185309 FYICAKPBCMHWEZ-KRWDZBQOSA-N 444.488 1.750 30 10 IDEE CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 764747654 QYAVPWCCWZEZBN-KRWDZBQOSA-N 440.508 1.812 30 10 IDEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)CCCS(=O)(=O)N(C)C 790034565 LNJRAQAKOVADLJ-UHFFFAOYSA-N 441.325 1.319 30 10 IDEE O=C(O)CCNS(=O)(=O)c1cccc(C(=O)/C=C/c2cnnn2Cc2ccccc2)c1 792867001 SAMGTPUJNJJUHR-MDZDMXLPSA-N 440.481 1.976 30 10 IDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)c1ccc(C#N)cc1 795384967 HBLWXLFRXMWAIE-IBGZPJMESA-N 430.438 1.497 30 10 IDEE COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802515984 UKDSVJNELFZWFR-SFHVURJKSA-N 443.939 1.684 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C 815950175 KTOBGBYWHONSRW-FQEVSTJZSA-N 429.498 1.891 30 10 IDEE C=C(C)CNC(=S)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 916026904 DXGWBVHCTNJBTB-UHFFFAOYSA-N 431.605 1.155 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)n[nH]2)c1C 1137821931 GXVVKLCBLQIRDM-QRWLVFNGSA-N 433.534 1.542 30 10 IDEE CN(C(=O)c1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1)C1CCOCC1 1141555283 BJIBCKXEDVAKNY-MRCUWXFGSA-N 426.473 1.793 30 10 IDEE Cn1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Br)c1C(F)(F)F 1159489854 JKJSOTUSTXCJKV-UHFFFAOYSA-N 447.171 1.032 30 10 IDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)Cc3ccc(OCC#N)cc3)CC2=O)C1 1180001252 YZRSRGIRJJGJGO-INIZCTEOSA-N 428.489 1.468 30 10 IDEE Cn1cc(N2CC[C@@H](NS(=O)(=O)c3cc(Br)c(C#N)cc3F)C2=O)cn1 1209926919 DUGPVYOZOWGYSK-CYBMUJFWSA-N 442.270 1.277 30 10 IDEE COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)ccc1F 1253611817 JWTMMGBGXVOAKX-HNNXBMFYSA-N 445.516 1.264 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(SC)CC2)CC1 1286473543 PCLWEOZEDSCOJV-UHFFFAOYSA-N 445.614 1.999 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCCC2)CC1 1286491839 AGEXOUVGGPEXEH-SFHVURJKSA-N 442.564 1.184 30 10 IDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286506628 KILMGNOPJCHAGM-HNNXBMFYSA-N 432.550 1.407 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1286554086 WULUJSUYNLNVJC-RBUKOAKNSA-N 444.561 1.783 30 10 IDEE C=C(C)COCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1286614648 VVNUDOYBCDKZCP-XLIONFOSSA-N 442.582 1.536 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)CC1 1286708676 XGTKTIJVLBEMJR-UHFFFAOYSA-N 437.508 1.182 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1286788306 ULQZPTXAUYDLQZ-DLBZAZTESA-N 448.568 1.968 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1286831884 LHJOYYQVZUARIK-OAGGEKHMSA-N 441.623 1.622 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 1286856832 KUHSMZMAWXREBD-VQIMIIECSA-N 439.476 1.841 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)Cc2ccon2)C1 1288982147 QTVAXMBMAMXRSW-APWZRJJASA-N 449.537 1.367 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1300393184 SLQSRVFCPSSLLZ-SFHVURJKSA-N 449.554 1.375 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1300489236 KEFTZYDJRHOXNR-JXFKEZNVSA-N 449.964 1.781 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1300509429 LHNBZIZVUUHOLC-MJGOQNOKSA-N 428.562 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C#C[C@@H](NC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1)C1CCOCC1 1624610372 UFHUNKNWTRDBOO-HNAYVOBHSA-N 431.489 1.544 30 10 IDEE N#C[C@]12CN(C(=O)c3c(F)cccc3I)C[C@H]1CS(=O)(=O)C2 1627137362 WNUIIKPFKHRIEY-LKFCYVNXSA-N 434.230 1.441 30 10 IDEE CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1633526630 YGSZPFGYSAFSSC-VGOFRKELSA-N 431.489 1.823 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(CC(=O)N(CC)CC)CC3)cc2C1=O 1634976193 VFVCEZZIYXBRPH-UHFFFAOYSA-N 426.517 1.531 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](NC4CCOCC4)C3)C2=O)cc1 1637000061 LEJXZTVYNQUWKP-QUCCMNQESA-N 439.516 1.523 30 10 IDEE CC1(C#N)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1637218707 UZLCKWNPZXTJRQ-BZUAXINKSA-N 425.551 1.809 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)cc1 1638954147 LISXUQYFXVOEJP-UHFFFAOYSA-N 442.497 1.629 30 10 IDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cc(C#N)cs2)s1 1639611287 BUUKQTUQJCSUBI-UHFFFAOYSA-N 426.545 1.254 30 10 IDEE C=CCCC[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C)C(=O)OC 1644823735 ZTSFUUVYLBPLDS-GZBLMMOJSA-N 430.423 1.986 30 10 IDEE CCC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1649642456 OXFYLHNKPUEJHQ-ROUUACIJSA-N 438.536 1.638 30 10 IDEE Cc1cc(N2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c(C#N)cn1 1654991410 GGCXGFLHDJEIBP-UHFFFAOYSA-N 434.543 1.485 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 1664827910 IWXXLKKJEDYQRX-QGZVFWFLSA-N 434.518 1.697 30 10 IDEE CN(Cc1cccc(Br)c1OCCS(C)(=O)=O)C(=O)NCC#CCO 1675461269 RWHDPUVOXQTZMD-UHFFFAOYSA-N 433.324 1.010 30 10 IDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 1683339383 ULUIYXDGUQEVNU-UHFFFAOYSA-N 428.470 1.792 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cn(CCCC)nc1C 1689966027 IUKFLXZMOPIYRU-SFHVURJKSA-N 449.581 1.034 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1690310028 QYOKCVDOLBYNMD-GOSISDBHSA-N 440.552 1.555 30 10 IDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690331195 SGUOJTOTALJWIX-KBPBESRZSA-N 426.905 1.227 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690627597 JGLSGFXUSOLKDP-MRXNPFEDSA-N 429.912 1.604 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1690660615 LEXIYWDMEROTKQ-HNNXBMFYSA-N 442.495 1.670 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1690669412 DURDQNDBFXEDNG-LJQANCHMSA-N 437.548 1.162 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690723376 PNEDNEIJKHJFLO-UHFFFAOYSA-N 425.555 1.671 30 10 IDEE CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1693931530 BRGXHDRDCCVVHI-HXOBKFHXSA-N 440.548 1.909 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNS(C)(=O)=O 1694258252 HJNVPIJNLCQYIY-ZWKOTPCHSA-N 432.550 1.488 30 10 IDEE CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@H]1N1CCOCC1 1694911575 LVPSPDUQFXFMGF-QFBILLFUSA-N 441.536 1.476 30 10 IDEE CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695040044 OULGHCWTNVAGIW-KKSFZXQISA-N 425.493 1.315 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705569092 ZENKAYNTOPMEKV-NQIIRXRSSA-N 432.546 1.349 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1CCS(=O)(=O)CC1 1705676797 PCZSDHVAHUGSBU-OAQYLSRUSA-N 430.578 1.957 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705907291 HFNYECSVKXKQIU-GOSISDBHSA-N 431.562 1.379 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1705939527 ZACPFUWSOWWGFG-GPMSIDNRSA-N 444.623 1.861 30 10 IDEE CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1706013662 HIYRRTAJVGOMJL-UHFFFAOYSA-N 433.520 1.992 30 10 IDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1706216094 CNVYPTJWZWIRHU-VQTJNVASSA-N 438.532 1.661 30 10 IDEE CCCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1709712180 ZEPIASURHMOINS-VXPUYCOJSA-N 426.525 1.902 30 10 IDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1710976627 AUPJKRRFWFUNCY-QGZVFWFLSA-N 430.534 1.308 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1722330505 URQFKUXCFOJEJN-UHFFFAOYSA-N 433.516 1.664 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(C)=O)CC1 1722461438 BXOZKKUREQLPIP-UHFFFAOYSA-N 437.573 1.988 30 10 IDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2cc[nH]n2)CC1 1722573390 WLKIQPWQHGSBRG-UHFFFAOYSA-N 428.541 1.752 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722729382 ZTWBQGDLOVDQET-UHFFFAOYSA-N 430.534 1.612 30 10 IDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)NC(C)C 1729091478 BVYNFLXCWSGETN-MOPGFXCFSA-N 446.577 1.886 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1729188602 UQACXYQXINXIDK-HFUDNHEJSA-N 438.554 1.187 30 10 IDEE C#CCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1740589152 PVAWQGVNZLFDOR-IKGGRYGDSA-N 449.577 1.695 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2nccnc2C)CC1 1740707353 YYDOIRJGAWMGLG-UHFFFAOYSA-N 444.543 1.571 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740965127 DHNKDBYAUVXJGJ-LDJQZATESA-N 430.553 1.358 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnnn2C)C1 1740977086 CRLIQZJXENPUDT-KRWDZBQOSA-N 425.493 1.920 30 10 IDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1741112946 DIXIJFNHXOSYNC-FQEVSTJZSA-N 426.521 1.973 30 10 IDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1741370090 HDVFWZPGROCGSO-UHFFFAOYSA-N 443.577 1.962 30 10 IDEE CCN(CCCn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1746310165 DZFONEBAHBEDNT-LJQANCHMSA-N 435.529 1.377 30 10 IDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCC(=O)N2)c2ccccc2c1=O 1746470297 QPSHUSSROAWOLH-LSDHHAIUSA-N 434.504 1.692 30 10 IDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1747437915 RIBNQWWLEMVRAY-UHFFFAOYSA-N 448.549 1.285 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1747534916 LGLCRGGIQFBEAP-NRFANRHFSA-N 442.545 1.310 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCOCC1 1748656042 KGDXBPIWKUPHBO-MSOLQXFVSA-N 435.536 1.347 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1748750942 AAVYOLYNYNWCFE-HRAATJIYSA-N 432.521 1.831 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1748752291 URKAKXDHPPCNCA-ZWKOTPCHSA-N 431.566 1.643 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCCC1=O 1748830101 OVDFNTAYURPCJN-QHCPKHFHSA-N 427.549 1.794 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)COCCO2)CC1 1748978991 SMDPEEPRKJPPPZ-LJQANCHMSA-N 449.353 1.596 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749049414 KUOPLIQAJUNQSV-RTBURBONSA-N 446.621 1.629 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749120051 ZRSMDKTUEOIAMT-VXIBKDFQSA-N 442.520 1.757 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749657836 HHAAQNUZKABHMX-CYBMUJFWSA-N 433.875 1.254 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1749721249 FAFZZXMUROAICC-WBVHZDCISA-N 437.566 1.119 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1749721901 WFDMRECQJDQRSU-UHFFFAOYSA-N 429.550 1.596 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1749760802 MYKJALLGQMZGBL-UHFFFAOYSA-N 432.598 1.910 30 10 IDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1749898193 BZUWSBUGPWATAW-UHFFFAOYSA-N 438.532 1.844 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCSCC(F)(F)F 1751213706 SFHZHUWQMVXIBK-LLVKDONJSA-N 440.517 1.924 30 10 IDEE Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1751911661 AWTNBSNZFVOUHU-NXVVXOECSA-N 448.409 1.484 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760152055 CXHIEUKAXSHWFB-FQEVSTJZSA-N 438.580 1.380 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760191419 GZTZGVHHDHCTIE-FGTMMUONSA-N 433.578 1.463 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOCC2)nc1 1760204132 DQZZESGUNHVRTN-UHFFFAOYSA-N 427.512 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1760212803 FRGHOKRSPZQWOR-UHFFFAOYSA-N 449.515 1.480 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2cccs2)CC1 1760260674 BMDFQJSLXCJWEN-QFIPXVFZSA-N 439.589 1.864 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1760294369 UWCYZKIAZIVWGO-WHSLLNHNSA-N 436.507 1.577 30 10 IDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760527385 VBGPDKGSXKXAJK-PGRDOPGGSA-N 443.552 1.216 30 10 IDEE CC(C)C(=O)NCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1760855139 CBGGBDZTKVOEBE-UHFFFAOYSA-N 448.531 1.704 30 10 IDEE COc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)ccc1OCCO 1768307060 FTIRAJJOSMWFQE-IIBYNOLFSA-N 431.468 1.652 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1769267660 FLUSEHJYZYPBNK-QHCPKHFHSA-N 437.548 1.236 30 10 IDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)OC)C1 1769699818 BCSPZLSVAYYPAE-IBGZPJMESA-N 426.521 1.784 30 10 IDEE COCCCn1c(Cc2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769732297 CWIUJIONCRXGMM-UHFFFAOYSA-N 435.536 1.541 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCS(=O)CC1 1772660503 SSPYFBROXHIPNW-UHFFFAOYSA-N 445.570 1.663 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)ON3C(=O)c4ccccc4C3=O)c2)C[C@H](C)O1 1772791326 RNJFNXQTZINYTB-KBPBESRZSA-N 444.465 1.853 30 10 IDEE C[C@@]1(CSc2ccccc2C(=O)ON2C(=O)c3ccccc3C2=O)NC(=O)NC1=O 1772791621 BRMXLJGWXZECTJ-FQEVSTJZSA-N 425.422 1.745 30 10 IDEE C[C@@H]1CC(=NC(=O)[C@H](N2CCS(=O)(=O)CC2)C(C)(C)C)NN1c1ccc(Cl)cn1 1851723118 SJJAXYQGSGAACI-DYVFJYSZSA-N 441.985 1.908 30 10 IDEE C=CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCN(C)C1=O 1852960559 YZETUPZBBFAGMH-QZTJIDSGSA-N 425.526 1.764 30 10 IDEE CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)N2CCN(c3nccc(C#N)n3)CC2)C1=O 1853214814 OINHSMWKFJEPLK-KRWDZBQOSA-N 440.891 1.854 30 10 IDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1854103422 NYPNIFOCLLNMSU-LSDHHAIUSA-N 431.514 1.672 30 10 IDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1855423282 BEYHTFBBXPVEHD-MJGOQNOKSA-N 437.606 1.996 30 10 IDEE COc1cc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 1860732332 FRGJFHPRRJGTEL-RMKNXTFCSA-N 448.497 1.301 30 10 IDEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1870143962 JDQDDOBWCWGXPR-UHFFFAOYSA-N 429.440 1.830 30 10 IDEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2cccnc2)cc1OC 1874219063 SUOWYGMPVJEAMF-FSJBWODESA-N 426.502 1.935 30 10 IDEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874338761 XKSKVIPGRNYKRH-GTQIFZCBSA-N 430.534 1.861 30 10 IDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cncc(N(C)C)c3)CC2)CC1 1889446854 CXDCESCKYHOYBD-UHFFFAOYSA-N 427.593 1.798 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)=C[C@H]1O 2141666163 VAOHCZSSNQIAER-JKSUJKDBSA-N 445.325 1.904 30 10 IDEE C#CCn1ncc(NC[C@@H]2C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(Br)c1=O 2172853865 MJZMVQMQEFTTEJ-OUCADQQQSA-N 441.326 1.715 30 10 IDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248473605 KGMVBXBSWIFGJS-CYBMUJFWSA-N 441.359 1.334 30 10 IDEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255694981 WUUNTONBBQJWCM-CQSZACIVSA-N 430.314 1.681 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255867114 YHBDBXLPYLGETB-IRXDYDNUSA-N 432.326 1.696 30 10 IDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267504842 YPRQYQRITGZRRG-XOIINTDNSA-N 446.357 1.657 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 2267546222 TYNVSZRLIAOLEB-UHFFFAOYSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267594418 BYJJTFDGQDNIAD-RHSMWYFYSA-N 447.341 1.338 30 10 IDEE CCN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCN(Cc2ccccc2)C1 2267606307 WAEYOKXPCXVSGT-GOSISDBHSA-N 439.369 1.851 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2269717599 KOXKVOUNEBDSTJ-JKSUJKDBSA-N 447.341 1.399 30 10 IDEE COc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 2327829864 OLYCQUBFZRAPPM-CQSZACIVSA-N 430.534 1.861 30 10 IDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)C=Cc2cccc(F)c2)C1 2328074887 ZCYQMPTWRUDKLW-FXAWDEMLSA-N 435.455 1.941 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](C(=O)O)C1 208067140 NRQZAEAVMZDCGR-AWEZNQCLSA-N 434.302 1.286 30 10 IDEE C=C(CO)[C@@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@]2(O)C3=O)O1 257489093 MYQAATJJIDGOMQ-YBVWCTEOSA-N 426.421 1.780 30 10 IDEE biogenic CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 440384263 QFOWUOPTRIHHRT-UHFFFAOYSA-N 436.468 1.922 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 466459610 AOTKUKFQDABBCV-HNNXBMFYSA-N 428.493 1.436 30 10 IDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1 470202454 YMMPNCLYJIPEKN-UHFFFAOYSA-N 444.513 1.696 30 10 IDEE N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCCN(CCO)C3=O)s2)cc1 473654615 RBRYNNXSEWWZOC-AWEZNQCLSA-N 432.531 1.807 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C[C@@H]1CCCO1 477313474 FSWUVAHQSOXMQB-KRWDZBQOSA-N 427.501 1.342 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@H]1CCCO1 505701345 WZTRNNZMHVZLST-GOSISDBHSA-N 449.532 1.960 30 10 IDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508746979 MHBMPLITJIGHOH-HNNXBMFYSA-N 438.492 1.680 30 10 IDEE C=CCN1CC[C@H](N(C)c2nc(N(C)[C@H]3CCN(CC=C)C3=O)c([N+](=O)[O-])s2)C1=O 513066288 XYLNMBLAARFLGD-KBPBESRZSA-N 434.522 1.498 30 10 IDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 523579951 OFUMFSUNXSSENT-UHFFFAOYSA-N 449.492 1.896 30 10 IDEE N#Cc1cccc(N2CCN(CCCCN3CCN(c4cccc(C#N)n4)CC3)CC2)n1 546919859 XQRLUZMJOGMNCA-UHFFFAOYSA-N 430.560 1.944 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1csc(C)n1 579895804 OYEVUOUNAMPDBF-HZPDHXFCSA-N 438.579 1.903 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)CC1 604166261 NPYFOBYQYLDFJD-LJQANCHMSA-N 430.940 1.792 30 10 IDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cn1 730721146 AFSVMKKGCIWJQI-OAHLLOKOSA-N 432.506 1.278 30 10 IDEE CCN(C(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCS(=O)(=O)C1 732399470 PNZRWACCIVFKIX-QGZVFWFLSA-N 443.481 1.938 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)(C)CN(C)C)c2=O)cn1 732563430 ACCZHTBQPNYEMP-UHFFFAOYSA-N 441.601 1.586 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC2)nc1 749354878 FMPRKIMQFICFIM-UHFFFAOYSA-N 439.277 1.654 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3cc(OC)ccc3OC)c2=O)c1 776757038 XYVLXSCNTTXQII-UHFFFAOYSA-N 434.477 1.655 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCOC1CN(C(=O)OC(C)(C)C)C1 777010174 WPCULYUBFYDVFP-OAHLLOKOSA-N 430.509 1.411 30 10 IDEE COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783943532 UTNQWDCQPVHOAB-UHFFFAOYSA-N 442.566 1.922 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)n1 790103924 AZKHONVZKBEJLO-NRFANRHFSA-N 444.557 1.653 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CCOCC2=O)n(-c2cccc(F)c2)c1C 790736991 SKQWBVREWHWAML-UHFFFAOYSA-N 428.420 1.445 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)c1 800429062 CXRWCXMEQHLIJQ-FQCQCQAGSA-N 425.510 1.765 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 803563768 SIXSYOGOKXHRNH-UHFFFAOYSA-N 448.932 1.614 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 919755504 XQCKWVJTSGSGEE-MRXNPFEDSA-N 430.505 1.863 30 10 IDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)c2C#N)C1 1131403301 LIOLTFDFUDKSBQ-GTJPDFRWSA-N 443.529 1.964 30 10 IDEE CON(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 1131403451 RTFKYKMNVMDSOS-UHFFFAOYSA-N 448.526 1.959 30 10 IDEE N#CC[C@@H](C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1ccccc1 1137922082 HCDTVCCSUPOMEJ-GOSISDBHSA-N 427.482 1.644 30 10 IDEE N#Cc1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)ccn1 1139860797 HYTICODCCPMXRD-MRXNPFEDSA-N 434.543 1.870 30 10 IDEE COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c(=O)cc1C 1141802909 CNKFOYXCXKSCDU-BSYVCWPDSA-N 446.529 1.868 30 10 IDEE COC(=O)c1cc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)c1C 1153376416 SJBXOEJXDJUPJM-LBPRGKRZSA-N 432.502 1.254 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc4n(n3)CCCC4)CC2)cc1 1163928072 BMVSNXLJGGKVQL-UHFFFAOYSA-N 427.530 1.808 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C)c1cc[nH]n1 1180074586 YDRKNCDMVMFIKI-SPLOXXLWSA-N 449.508 1.599 30 10 IDEE C#CCN(Cc1ccccc1)S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1190108751 MVHHVNAJBLPZJA-UHFFFAOYSA-N 426.494 1.764 30 10 IDEE CC(C)(C)OC(=O)[C@@]1(NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCOC1 1195893945 RQUSSRXDUHUKOQ-HRAATJIYSA-N 434.562 1.547 30 10 IDEE C#CCN1CCN(C(=O)CN(Cc2cnn(C)c2)c2ccc(Br)cc2)CC1 1197658120 DFDGFWJAISJNOA-UHFFFAOYSA-N 430.350 1.967 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)NCCC)c1 1286311097 JTZXHGKSUGPDTH-GOSISDBHSA-N 438.532 1.755 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1286396975 ZMKXJBPJJBQNAC-FQEVSTJZSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1286408666 FJEDAHPRNYUBNF-KRWDZBQOSA-N 444.536 1.138 30 10 IDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1286437100 HPEPJBZZCDVTEL-QFIPXVFZSA-N 436.520 1.802 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCN(C)C1 1286463697 KQYPYMXVXGYYDE-HXUWFJFHSA-N 448.365 1.860 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1286483233 DEAFNXUTQLKTQU-FQEVSTJZSA-N 441.624 1.666 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2Cc2cnn(C)c2)CC1 1286484025 FXSUBHVNUHBBQR-UHFFFAOYSA-N 435.532 1.793 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)C2CC2)CC1 1286484603 SIYOIHKBIASWRD-QHCPKHFHSA-N 425.533 1.782 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(=O)N(C)C2CCCCC2)CC1 1286490966 YRSPUQAZSKZBCT-UHFFFAOYSA-N 426.565 1.912 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286507917 GTGVZNWZVXZTIU-KRWDZBQOSA-N 446.621 1.898 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286566217 MQRGIEDXIPNNHC-DYXWJJEUSA-N 446.596 1.539 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286786348 RCGYRODCAHXSOV-PKOBYXMFSA-N 443.596 1.275 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1286807057 IVGCFZOOGOUUOP-HKUYNNGSSA-N 431.562 1.870 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CC1 1286819149 BOWOATDXGPDVLT-UHFFFAOYSA-N 428.518 1.391 30 10 IDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCCS(C)(=O)=O 1288964663 FZIJHOFLBQPECL-HUUCEWRRSA-N 437.497 1.721 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1291194958 HTISERPWWAPATM-MCFFVMPBSA-N 440.552 1.492 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300495484 IAKQPKJYYFWLRY-QUCCMNQESA-N 443.573 1.745 30 10 IDEE COC(=O)c1nc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)ccc1Cl 1300549964 JUGRTJJRDKXLCZ-UHFFFAOYSA-N 436.877 1.562 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1300556799 MEBUWWXTKFVJDW-LLVKDONJSA-N 438.298 1.339 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300620256 FMGSRDAEOGDYMF-UHFFFAOYSA-N 432.532 1.487 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2ccccc21 1300654328 WRROATWFDZONSN-SJLPKXTDSA-N 431.562 1.704 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@H]1C 1300655289 VDPCABXJIRSLHZ-AOMKIAJQSA-N 430.505 1.588 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCO[C@H](C)C2)CC1 1300716722 PSWOCTQGPKYBGK-QYZOEREBSA-N 447.580 1.783 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1300843692 DTKOFCJTAOCAJO-CABCVRRESA-N 439.358 1.296 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301149149 XTVYNFYSBIOPPJ-QZTJIDSGSA-N 443.596 1.574 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC[C@H](CO)O1 1302953880 DRMHORQAQFGPDN-FGTMMUONSA-N 440.552 1.393 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)C1 1302983308 WXWCMCFGTDTROD-UTKZUKDTSA-N 433.532 1.079 30 10 IDEE N#Cc1cncc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)c1 1303861900 QVUJLVYRIZQUCV-INIZCTEOSA-N 434.543 1.870 30 10 IDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)COCCO1 1303992118 IKQLIUKAXGKSBT-HTAPYJJXSA-N 440.504 1.236 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1305116687 IBBGMNPDEHZTGU-KRWDZBQOSA-N 437.548 1.594 30 10 IDEE C#CCN1CCC(NC(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1 1313317968 MOFKGYJWRCEUAC-SFHVURJKSA-N 448.564 1.716 30 10 IDEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1315818676 IXVHUSCRFUUNSX-ACJLOTCBSA-N 439.492 1.665 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(C)COCCO1 1316099319 XGFQOFLBZSKLJS-OAQYLSRUSA-N 429.477 1.846 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CC2(C(=O)OCC)CCOCC2)c1 1351599583 CMYHSSJKCSRPSX-UHFFFAOYSA-N 442.512 1.610 30 10 IDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1=O 1352475557 WDBLJPNRTKLTHK-UHFFFAOYSA-N 437.500 1.855 30 10 IDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1354672866 ABUHYFPTDBVQIR-QFIPXVFZSA-N 447.430 1.743 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1356279485 YWSYKSLOVLUORK-HZPDHXFCSA-N 427.509 1.973 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1358880590 OZDNDIZHGCTGQM-RBUKOAKNSA-N 448.579 1.405 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358959609 MEMLKKGCOHHPPX-QGZVFWFLSA-N 448.980 1.716 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1358962068 JSHDZVZGLTVEFE-ROUUACIJSA-N 436.578 1.616 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358964487 ZXPOAGCCOMHDQM-KGLIPLIRSA-N 440.476 1.049 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@@H]1OC 1359021416 NXSUMTASITVZRF-RXVVDRJESA-N 442.516 1.854 30 10 IDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1359242915 XQPKTDZINBUPGU-UHFFFAOYSA-N 442.636 1.635 30 10 IDEE CC(C)(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359493233 KSPXKMVMULEYFZ-SJLPKXTDSA-N 429.569 1.511 30 10 IDEE CC(C)(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1359525276 YDABOXWOMZQUDQ-ALARNLJQSA-N 444.536 1.907 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)c2)C[C@@H](C)O1 1439728136 UQLKZYCLWRQNJS-IAGOWNOFSA-N 448.541 1.962 30 10 IDEE N#Cc1cccc(C2(NCCC(=O)Nc3cccc(S(N)(=O)=O)c3)CCOCC2)c1 1460451992 FNFLZIWLLOCHFA-UHFFFAOYSA-N 428.514 1.830 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 1465424985 OKLBESIBMZITKD-HSZRJFAPSA-N 426.538 1.850 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 1467990391 BLQOJJKBGDPYKP-UHFFFAOYSA-N 425.388 1.332 30 10 IDEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 1478791593 AUBFROFUHCZXLA-UHFFFAOYSA-N 428.518 1.283 30 10 IDEE Cc1noc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1493053258 QKWDDCQJJCZVLH-UHFFFAOYSA-N 449.519 1.663 30 10 IDEE CCc1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499029772 JBXWQPNOCWZDBA-QQMHEVNUSA-N 441.536 1.110 30 10 IDEE CCCN(CCC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1500845118 ZVNFHDDFNUVXAM-KRWDZBQOSA-N 436.538 1.750 30 10 IDEE COCC(C)(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1504545122 BBWSRABISVEQGH-HZPDHXFCSA-N 425.555 1.362 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1507529036 PFCHGKMIIQIRSR-KPZWWZAWSA-N 426.901 1.745 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507634246 XYZOGYRIAPVKOO-HSALFYBXSA-N 449.621 1.673 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1507635177 QCSMFAFKAWPJGA-UXHICEINSA-N 442.589 1.375 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1507670090 CFOPHEZBBUDSSO-UHFFFAOYSA-N 429.521 1.506 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507791527 MWSUYNABIXYVCV-FHWLQOOXSA-N 432.569 1.702 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1507800063 UAVXATPNWZUOAB-SBHAEUEKSA-N 446.596 1.411 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1507811232 OUOCHRBMXJKFIA-JXOCDABTSA-N 433.553 1.578 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCN(CC)C1 1507820401 CHEKQDPGRVLTDJ-ROUUACIJSA-N 440.614 1.355 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507960124 KOVVDSJIHLUBCK-AWEZNQCLSA-N 441.458 1.776 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1)C1CC1 1507988548 UHCYJTIZQSRKGI-ZBFHGGJFSA-N 433.534 1.883 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1508087911 UWBFYAQYIXEMFJ-HSZRJFAPSA-N 442.539 1.611 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099494 ZIHWLBZPDIGHOL-IIBYNOLFSA-N 435.525 1.010 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1508105196 PSSHMZXQNHSLMP-WBVHZDCISA-N 447.561 1.712 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1ccnn1 1509691543 BDSHLSRYASOZRG-LJQANCHMSA-N 449.519 1.548 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1517024965 YMAXEZWHINKHEF-MSOLQXFVSA-N 426.477 1.509 30 10 IDEE COCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1518684614 RGLJBYDQHOOFIZ-QZTJIDSGSA-N 427.505 1.850 30 10 IDEE C=C(C)Cn1c(SCC(=O)N2CCN(CCN(C)C)C(=O)C2)nnc1-c1ccco1 1530771294 KHGPMTJNUOYTKH-UHFFFAOYSA-N 432.550 1.439 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CCCO 1538992028 JIFLHZKHWUOWNG-FXAWDEMLSA-N 435.536 1.226 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539632392 RGAXTZLUAAMUJG-FXAWDEMLSA-N 444.580 1.385 30 10 IDEE C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1540856789 PYBTTYBDFNETFN-VNQPRFMTSA-N 448.549 1.586 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C#N)C1 1540862761 IRGSSQGHQBVDDE-APWZRJJASA-N 440.504 1.848 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540867466 XCMGILLGISOVNH-BEFAXECRSA-N 427.505 1.880 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1540901484 FJDMSNWOIGBHQR-OAHLLOKOSA-N 442.545 1.694 30 10 IDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541197012 QLLZTKPVFULYJH-WMZOPIPTSA-N 429.569 1.653 30 10 IDEE CC1(C)COCCN1CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1542014037 REHHQPQVONWMBB-INIZCTEOSA-N 446.502 1.987 30 10 IDEE Cc1ccccc1C1=NO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1543121310 HSWBBSSVOYJORC-OAQYLSRUSA-N 438.509 1.893 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)n[nH]2)c1C 1544248006 HQKMKOCGIDQHEN-UHFFFAOYSA-N 438.492 1.384 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1CCC(=O)N(C)C 1544582080 FOTCFSNZZISOHS-INIZCTEOSA-N 446.519 1.195 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)O1 1544722817 IIBDBBXGYUYMCM-GPMSIDNRSA-N 444.561 1.854 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1cccs1 1555742116 BYTJLZBQSWALBC-DKICVRJWSA-N 448.524 1.936 30 10 IDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2=O)cc1 1556171910 IRVFFFKPZUWVRN-HXUWFJFHSA-N 448.479 1.553 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1557833157 FZGKLLUTXOCSOU-INIZCTEOSA-N 442.541 1.616 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)C2)nc1 1558464056 CQAMULSVYCKGBO-APWZRJJASA-N 435.463 1.615 30 10 IDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1586056217 URFBUGVHSLKUAW-OAHLLOKOSA-N 444.561 1.679 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1587632001 HPQRODDLUBJVGX-IRXDYDNUSA-N 443.556 1.927 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC=CO2)c1 1587693203 QYFOJVUHLRGFRE-MOPGFXCFSA-N 434.500 1.978 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)CC4(C#N)CCOCC4)C3)[C@@H]2C1 1588148788 URPCKFDQWHNPSK-ZACQAIPSSA-N 448.520 1.738 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1588811134 ASQCTELBGRYGJR-FQEVSTJZSA-N 443.573 1.130 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1589216596 SLTVJYMNPKUQLV-HRAATJIYSA-N 428.562 1.682 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1595500696 BXVDBBWTGJHRAX-OAHLLOKOSA-N 430.534 1.378 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C)[C@H](OC)C1 1595536927 JCRYCMRIPLGECY-WMLDXEAASA-N 437.504 1.757 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(C#N)CC2)[C@H](C(=O)N2CCC(C#N)CC2)C1 1614568066 CHGXCNQURIMWEZ-RTBURBONSA-N 443.548 1.994 30 10 IDEE CN(CC1CCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1618074683 IQDAUZNZHXHLQW-KRWDZBQOSA-N 434.522 1.360 30 10 IDEE N#CCC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1620357113 BBXFUXOVBACONR-NRFANRHFSA-N 447.536 1.688 30 10 IDEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1620573351 IZERJXGPOWPWRP-IBGZPJMESA-N 429.586 1.744 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1622584625 SHVTYRYFUISKLN-UHFFFAOYSA-N 425.576 1.237 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O 1623284682 UDEAUGMIQYFOFJ-SFHVURJKSA-N 430.505 1.867 30 10 IDEE CC(C)(C)C#CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1623721534 QYIPWNTXFMYBMZ-UHFFFAOYSA-N 439.921 1.553 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)C2)C1 1628741551 NHPCXJDBUCPLIS-BXFSZVDSSA-N 433.553 1.181 30 10 IDEE N#CCN1CCC(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1629082407 NREGLDVAXYOWNC-AWEZNQCLSA-N 430.983 1.906 30 10 IDEE COc1cc(NCCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)ncn1 1630693882 IUCDPUIUUNJUFK-CQSZACIVSA-N 428.880 1.982 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 1631746968 FMPGXLIXUPLNBK-GOSISDBHSA-N 431.537 1.695 30 10 IDEE CC(C)CNC1(CO)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1634084939 LWBZFSFZBSAGNZ-UHFFFAOYSA-N 436.578 1.104 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)Cc2ccc(C(F)(F)F)cc2)CC1 1636480412 QGPPLXIQJDLKMJ-INIZCTEOSA-N 431.480 1.886 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1636860466 ASFCMTCAHISZCV-QGZVFWFLSA-N 443.525 1.796 30 10 IDEE CSCc1n[nH]c(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1638518356 JCTPNLYAYHURRL-CYBMUJFWSA-N 436.563 1.437 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 1639981249 PPCANXNSYHCZFO-LBPRGKRZSA-N 439.419 1.898 30 10 IDEE Cn1ccnc1[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(C)(C)CO 1643598515 DFWHKELQNNVRDW-TZIWHRDSSA-N 442.539 1.617 30 10 IDEE N#CCCN1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)CC1 1643821906 HBSCPALDTHRMDI-UHFFFAOYSA-N 441.351 1.561 30 10 IDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](CC#N)C(F)(F)F 1645009870 INJVNVIQVSXJLZ-CHWSQXEVSA-N 439.843 1.834 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N[C@@H]2C(=O)NCC23CCOCC3)cc1OC 1645167359 VYQNBCOQESUUAP-HXUWFJFHSA-N 433.505 1.636 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)c1 1661488902 ACIOHZRRZONPGQ-UHFFFAOYSA-N 431.426 1.622 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CC1 1671196093 DNVOLGZAMAPUSP-LJQANCHMSA-N 431.493 1.105 30 10 IDEE N#Cc1cccc(CN2CCC(NC(=O)NCCNS(=O)(=O)c3cccs3)CC2)c1 1679246598 FKQUEVZYGLEBRF-UHFFFAOYSA-N 447.586 1.862 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCc3c(CC(N)=O)cccc3C2)[C@H](C#N)C1 1681435201 TXWXGKYWBBMXKG-SJLPKXTDSA-N 427.505 1.541 30 10 IDEE C#C[C@@H](NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1)c1ccc(Br)cc1 1686921444 KRYOPGNKUOFBKN-QGZVFWFLSA-N 435.322 1.503 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1689874798 BNUJOSNLFTUDTB-SJORKVTESA-N 433.582 1.494 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[S@@](=O)CC 1690029523 DUDWKHLSMZBGFB-GZKOVBJLSA-N 433.578 1.890 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCOC2)C1 1690156363 WHVUAVLOCVNLLE-HXUWFJFHSA-N 428.518 1.288 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC)C1 1690255577 SVDANAOUBHSKLZ-HVTWWXFQSA-N 447.580 1.946 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690508866 RLFYFDQYEOLFKJ-IEBWSBKVSA-N 448.593 1.575 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)F)CC1 1690677989 HEOKAOHUOYUDRP-CRAIPNDOSA-N 440.539 1.886 30 10 IDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1nn(CC)c(=O)c2ccccc12 1690678469 WYBPCRSZMAEJMT-UHFFFAOYSA-N 433.476 1.454 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1690709670 JNRLSDFDHMVOPN-IRXDYDNUSA-N 425.493 1.033 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690722383 HOPRAMGPNXKGDP-UHFFFAOYSA-N 447.565 1.031 30 10 IDEE CC(C)N(C)C(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1692461969 NCOOYWIFHWWJHJ-GOSISDBHSA-N 439.520 1.825 30 10 IDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1692493961 AFNLQSYEQHRDHU-MBSDFSHPSA-N 440.548 1.799 30 10 IDEE CC(C)NC(=O)c1nnc(N(CC2CC2)C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692506475 RNGSYHVSOCMJGQ-ZZEZOPTASA-N 441.536 1.712 30 10 IDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCOCC1 1692693365 BKIPHDTWTQECKS-VQIMIIECSA-N 444.561 1.161 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCOC[C@@H]1OC 1696298474 IKTLSCHBBZHVOD-KDOFPFPSSA-N 428.493 1.401 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1698495800 XHEYKADEGUFHTE-RWNPKEDZSA-N 439.520 1.829 30 10 IDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705518636 OLIRICUSYBMRHN-IBGZPJMESA-N 430.578 1.833 30 10 IDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705537141 VUKUMBPNTNKUMN-UHFFFAOYSA-N 434.544 1.404 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCCC2)CC1 1705644375 OPHDZHNQVYCNBM-UHFFFAOYSA-N 444.580 1.467 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1705645351 QXRHCCTVKPDJGA-UHFFFAOYSA-N 443.573 1.557 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1705661805 JKOSEILIDDOQAM-GOSISDBHSA-N 449.602 1.614 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H](O)C1 1705716336 HQTMSTPNLZFRKF-BZSNNMDCSA-N 441.598 1.565 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705805714 MWDVHKGUHBPSGF-QZTJIDSGSA-N 434.566 1.638 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)NC)C1 1705923178 AIRBUAXLFBDHIB-CQSZACIVSA-N 441.504 1.478 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705934205 FDYKXWMAIRJZCS-INIZCTEOSA-N 448.545 1.827 30 10 IDEE CC(C)(O)c1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)c1 1706198284 KMMVQBZFPAPREE-HRAATJIYSA-N 447.536 1.898 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCCN2CCOCC2)n1 1707823248 XQQFEOYEUVLURO-UHFFFAOYSA-N 426.569 1.992 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1710780020 FSOADWFGJZFOJU-JROKQLJMSA-N 444.536 1.561 30 10 IDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1710984925 HXUJBAICPHSKCJ-KRWDZBQOSA-N 430.534 1.308 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N2CCOCC2)CCO1 1712884095 GKFHMPDJCFSYDY-HNNXBMFYSA-N 430.896 1.576 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722337453 AVXKNXKZZWJWMR-IBGZPJMESA-N 437.525 1.769 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCNC(=O)c1occc1C)[C@H]1CCS(=O)(=O)C1 1722369304 XLQIIIZKSCYULQ-KRWDZBQOSA-N 445.545 1.504 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1722398163 YJRLRZGJYCEQCQ-RBUKOAKNSA-N 440.573 1.726 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2ccnc2C)CC1 1722433540 ZJCFQYDFGCDJAK-UHFFFAOYSA-N 443.353 1.996 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1722507535 PRDNKGPYOXFYAA-NSHGMRRFSA-N 446.596 1.757 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722582914 LYXLEYUKQFHASS-CABCVRRESA-N 447.627 1.504 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC(C)(C)C2)C1 1722724810 GNIKNVJXRWMAJE-ZCNNSNEGSA-N 449.596 1.894 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2ccccc2O[C@H](C)C1 1722725420 OIDUCZXYXVEBPB-MRXNPFEDSA-N 447.561 1.805 30 10 IDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2CCSC2)nnc1[C@@]1(OC(C)C)CCOC1 1722731534 NAZWNYSHXVKXML-VQIMIIECSA-N 444.623 1.861 30 10 IDEE CC(=O)N1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1722763836 GTFQLGCPCAIXOC-MSOLQXFVSA-N 434.566 1.179 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1729526971 VAOUVHMHFVXUGF-UHFFFAOYSA-N 447.561 1.619 30 10 IDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC1(N2CCCC2)CCOCC1 1730761022 FWOOZTYXCGANNQ-UHFFFAOYSA-N 440.552 1.747 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1740547863 BVNDRJOVIAIHBK-WNRNVDISSA-N 449.552 1.584 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCn2cncn2)c1 1740562077 GBSRGYLVQKRCDD-UHFFFAOYSA-N 430.476 1.027 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740626100 JORKCUODPLJDPZ-FUHWJXTLSA-N 433.534 1.800 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2nccs2)CC1 1740706587 XAWPCMPCYLGTRV-HOCLYGCPSA-N 441.561 1.455 30 10 IDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740769582 ZFTFKDXNVDTCAX-XLIONFOSSA-N 441.598 1.614 30 10 IDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCCN(C)C)CC1 1740821848 AXMFYWJKCQFJJZ-UHFFFAOYSA-N 447.609 1.973 30 10 IDEE C=CC[C@H](Cn1c(CC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1740853838 ASSBQXREBRHRJW-WOJBJXKFSA-N 436.560 1.984 30 10 IDEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740904507 MZNQMJMQHDBQEJ-SFHVURJKSA-N 426.926 1.682 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(OC)c2)CC1 1740957710 YGRBSLAARKLGFN-UHFFFAOYSA-N 435.532 1.921 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(NC(C)=O)nc2)C1 1740979808 LMLHJGQCLPJCGL-IAGOWNOFSA-N 425.493 1.412 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1740988152 VCAJMCKIJMLLFP-OAHLLOKOSA-N 433.534 1.221 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OCC)CCOC1 1740994772 WOEDWUPADKUKQU-HXUWFJFHSA-N 437.566 1.661 30 10 IDEE CCC[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1745171976 GPPGPISFARFRPB-NYHFZMIOSA-N 437.504 1.472 30 10 IDEE CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)CC1 1746458664 DMTCLYSZLGPHPT-PZJWPPBQSA-N 438.580 1.266 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C 1748345605 PHSZTBPESKZQOU-OYHNWAKOSA-N 437.504 1.572 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1748864165 RVRARESXAYQADL-OAHLLOKOSA-N 435.500 1.872 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCCCO2)n1 1748970692 NXVFHMUWQOJJHF-LJQANCHMSA-N 436.520 1.787 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749456387 DEXAJBMLRNAQMC-SJORKVTESA-N 432.525 1.141 30 10 IDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1749626076 MRTZUJXIKGRHDQ-SFHVURJKSA-N 429.569 1.186 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1749661074 XECBWJZDAXQUMO-MRXNPFEDSA-N 442.520 1.356 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1749693462 JJTGDPGXRSOWMH-SFHVURJKSA-N 440.548 1.620 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1749703793 OXGMLSXMUGUFGG-GOSISDBHSA-N 430.534 1.537 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC(F)(F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750948115 FLNXKRSBZMERNK-PEZBUJJGSA-N 437.451 1.178 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760141371 RWWPRGAFKACZBX-UHFFFAOYSA-N 438.580 1.650 30 10 IDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC 1760196426 NHABYFFTMJJVIA-UHFFFAOYSA-N 441.561 1.098 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC 1760211278 CMZPVZYSTPSBHT-UHFFFAOYSA-N 436.541 1.814 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCc2ccco2)CC1 1760272828 AESPVAOWONKDJL-GOSISDBHSA-N 440.504 1.005 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760320709 ZCZSBJKJQLAENA-AABGKKOBSA-N 436.516 1.749 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 1760423025 WPUCKMTUZPBJNN-OAHLLOKOSA-N 427.575 1.096 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1760519969 WIEOWPOSHOWKOD-UHFFFAOYSA-N 446.577 1.546 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1760522217 OEHXTWWJVLMBLX-CVEARBPZSA-N 447.540 1.485 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1767088009 LQJLYKFVSTUSGH-SFHVURJKSA-N 434.504 1.833 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1767571209 CYHQCTXMOYOWJK-CQSZACIVSA-N 434.508 1.080 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1768634630 TUAGUYBUAKQXBX-FQEVSTJZSA-N 438.532 1.929 30 10 IDEE CO[C@H]1COCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1769133893 IAJSTNAMJRDSJX-PMACEKPBSA-N 438.532 1.960 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1770202772 WUOPZLWYUQGYOQ-BBTUJRGHSA-N 434.516 1.703 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](n2cc(C(=O)ON3C(=O)c4ccccc4C3=O)nn2)C1 1772788769 GITQYTVUGMARGC-GFCCVEGCSA-N 427.417 1.828 30 10 IDEE Cn1c(=O)c2cc(C(=O)N3CCC4(CC3)C[C@@H]4C#N)n(Cc3ccccc3)c2n(C)c1=O 1849066654 XFMJKLTYBFDQBC-QGZVFWFLSA-N 431.496 1.853 30 10 IDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(F)c1 1854590571 VCFHGIFLAKVBCZ-UHFFFAOYSA-N 430.461 1.685 30 10 IDEE C[C@H]1C(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1F 1855037751 ICZJSMJJMCOUEK-KBXCAEBGSA-N 436.509 1.071 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 1857041978 PSBUKJKZFZEKTL-AWEZNQCLSA-N 444.435 1.654 30 10 IDEE COc1cc(/C=N/NC(=S)NCCCN2CCOCC2)cc(Br)c1O 1860498159 PGOVUWMMVJDIKL-YBFXNURJSA-N 431.356 1.684 30 10 IDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1cc(NC(C)=O)ccc1C 1871260346 HLWORDUZMHQQCX-UHFFFAOYSA-N 442.516 1.791 30 10 IDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 1988626785 JJCMHYIGLMBPQA-YCRPNKLZSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(C#N)cc2Br)[C@H](O)C1 2197487565 IKGISJRIBSEKFW-RDTXWAMCSA-N 440.294 1.992 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224092083 FLNOSVZQOOYHKQ-NRFANRHFSA-N 433.314 1.939 30 10 IDEE Cc1c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255531087 BFMYSKYKGTYGBG-HDJSIYSDSA-N 434.346 1.813 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2255536068 DACCYKIQBYXVGQ-LSDHHAIUSA-N 436.314 1.597 30 10 IDEE Cc1nn(C)c(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2255631102 UEERAXUFWJHFDI-UHFFFAOYSA-N 436.318 1.308 30 10 IDEE C[C@H]1C[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2255699778 SBBBSWGMKXFLBN-QWHCGFSZSA-N 435.334 1.242 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]1CNC(=O)OC(C)(C)C 2255832412 LQKQKJUMIVMTLR-AWEZNQCLSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2255833623 GJIMJYBKJIFKLD-KBPBESRZSA-N 432.330 1.790 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2257488058 BJRMNQKOOSCKSZ-INIZCTEOSA-N 438.305 1.627 30 10 IDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2267136530 KNWMJRRFQBRWHA-UHFFFAOYSA-N 446.317 1.719 30 10 IDEE C[C@@H]1C[C@@H](N(C)C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1Cc1ccccc1 2267265734 JZLPJXOWGDSYJQ-SJLPKXTDSA-N 439.369 1.849 30 10 IDEE C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267275949 VISBCPCHHGOHDE-FUHWJXTLSA-N 439.369 1.755 30 10 IDEE C[C@@H]1CCN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)C(F)(F)F 2267503734 IKEUQLGYMGPEHY-DGCLKSJQSA-N 444.263 1.248 30 10 IDEE Cn1nc(C(=O)N(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2267542939 ZHRBIQFGBCWTCQ-UHFFFAOYSA-N 446.357 1.943 30 10 IDEE CN(C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1cccnc1 2296608927 JLYGBSXVHOLJSH-IBGZPJMESA-N 436.468 1.900 30 10 IDEE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NCCO)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642979 ADHLLVLYTWRLEA-USVNYHNNSA-N 447.572 1.762 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2312855655 GVSHUQQHYNRZPI-BPLDGKMQSA-N 432.330 1.457 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](CN=c2cc(B3OC(C)(C)C(C)(C)O3)c(F)c[nH]2)C1 2322306227 GXVZMIPNMFLQRV-AWEZNQCLSA-N 437.321 1.990 30 10 IDEE C=CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(C(=O)OC)ccc21 13789618 VVTHMZVLAKAGBT-FMQUCBEESA-N 437.543 1.774 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 106125909 PTFLWZOLKKTSGF-IBGZPJMESA-N 439.541 1.703 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 466527854 MGUXDWQVKNQLDG-GJZGRUSLSA-N 426.912 1.896 30 10 IDEE Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n(C)n1 470224081 QLHKIMJMRBSMBI-DOTOQJQBSA-N 430.534 1.052 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 482809308 MCOFDJRTUCUZRD-ZFWWWQNUSA-N 433.921 1.669 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@@H]2C(F)F)CC1 502837305 AMFHPRXFDASRMF-MRXNPFEDSA-N 426.489 1.511 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503623305 BCVZRLGPIRINKI-QGZVFWFLSA-N 432.546 1.756 30 10 IDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)OC)CC1 509010541 JSGWZECGZSDRCT-UHFFFAOYSA-N 432.912 1.343 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3C(=O)Nc3nccs3)CC2)o1 512264322 LVBOFARYLBSDAR-OAHLLOKOSA-N 429.506 1.063 30 10 IDEE CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 517663293 WCPPDGYSJGUOMM-INIZCTEOSA-N 428.470 1.121 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 554426155 GRZNCKZTMWBGDP-LJQANCHMSA-N 449.577 1.893 30 10 IDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(=O)N(C)C)CC1 555269181 UXUIAINOHSHEFB-UHFFFAOYSA-N 426.525 1.102 30 10 IDEE C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](c2ccc(OC)cc2)c2nccn2C)CC1 569439390 QGBNKYPTUODXNQ-HXUWFJFHSA-N 425.533 1.791 30 10 IDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c3=O)cc2s1 575854590 RAMDCWNGXXLOSN-UHFFFAOYSA-N 440.550 1.432 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1C[C@H]1CCCO1 603923046 IGLUTYZOMILYPY-CQSZACIVSA-N 437.443 1.357 30 10 IDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 609038095 DYYKMXXKWMFMHJ-KRWDZBQOSA-N 448.548 1.202 30 10 IDEE Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cc1S(=O)(=O)NCC#N 609529844 LSPOGWJONZYTGY-GOSISDBHSA-N 426.498 1.674 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)cc2C1=O 641928801 YSDVZQZQQLPUSV-HOTGVXAUSA-N 432.498 1.277 30 10 IDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730143094 TUXZHYYXRIHKNM-SFHVURJKSA-N 447.605 1.829 30 10 IDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)cc1 733675965 OXCNCCZNJWCUGQ-HXUWFJFHSA-N 434.477 1.799 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 746264344 FMHAZEUEUSJOHS-DNZUHHBVSA-N 436.390 1.843 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(F)cc1 751922712 PIPKJJBHWHQPOV-CZUORRHYSA-N 437.541 1.350 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)c(Br)cc1F 756965840 SWYDGZQNXGFKJT-SECBINFHSA-N 428.276 1.538 30 10 IDEE COC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 757967661 SZVTWDANZMDQIG-INIZCTEOSA-N 446.323 1.128 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758050302 FQURCQJIFFWYQU-UHFFFAOYSA-N 445.456 1.846 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 758157297 XVKSVLMVWDZVEE-OALUTQOASA-N 434.581 1.744 30 10 IDEE COc1ccccc1COC1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 770271170 BVOXIAZKOZRCHP-QZQOTICOSA-N 428.489 1.912 30 10 IDEE C#CCN(C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 774196312 IZLQTFOJMCEFBI-AEFFLSMTSA-N 436.553 1.470 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 781661507 KABXFUBHURJFGG-UHFFFAOYSA-N 436.537 1.856 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 788850183 YGCGCYRFMLNPFC-JOCHJYFZSA-N 425.533 1.575 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 805779596 AQPBFVJDEQLZAK-NRFANRHFSA-N 434.544 1.779 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cnn(C)n2)C1=O 807931208 AVLFJOPXBPQPNI-INIZCTEOSA-N 433.513 1.154 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812308508 QAZYKXJSJCFBGV-IAGOWNOFSA-N 444.513 1.480 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(C)(F)F)C1=O 814708897 NNQJASJGNJLSJH-AWEZNQCLSA-N 441.504 1.440 30 10 IDEE CN1CCN(S(=O)(=O)c2cccnc2NN=C2CC(C)(C)Oc3ccc(N)cc32)CC1 814851048 KIRPPJONUUOSFT-UHFFFAOYSA-N 444.561 1.977 30 10 IDEE CN1C(=O)N(CC(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)C(=O)C12CCCCC2 916964523 FIQQWBZYJOXUOQ-OAHLLOKOSA-N 440.456 1.702 30 10 IDEE C=CCOc1ccc(/C=C\C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1OC 917524736 LWHYDEAYFFTKHB-ALCCZGGFSA-N 429.517 1.276 30 10 IDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cn1 1084572205 KVDQTGATOINQRR-UHFFFAOYSA-N 445.465 1.733 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)CC1 1148023193 IZAJAKQPQHKIKT-UHFFFAOYSA-N 443.504 1.694 30 10 IDEE N#Cc1cccc(NC2CN(C(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)C2)c1 1149463168 XSAXTOUCGFPYGB-FQEVSTJZSA-N 440.525 1.952 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2ccccc2NC1=O 1164117086 AOPJKKMCFZYZLR-KRWDZBQOSA-N 426.498 1.575 30 10 IDEE C#CC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)CC1 1174883165 QBNQJXDSNGFLIB-UHFFFAOYSA-N 448.589 1.326 30 10 IDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(O)(CN3CCCCC3)CC2)CC1 1176879162 DMGGYTYACSBJOX-FQEVSTJZSA-N 445.633 1.770 30 10 IDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2nc(C(F)(F)F)cc2C1 1179687827 AQHFADAIYFYGCQ-UHFFFAOYSA-N 427.408 1.373 30 10 IDEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1191634685 AGFOAHVXKVSSCW-UHFFFAOYSA-N 437.525 1.879 30 10 IDEE Cc1c(I)cc(Br)cc1C(=O)NCC(=O)NCC#N 1271771552 QEDGILZELKPMPC-UHFFFAOYSA-N 436.047 1.732 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1286296660 QODNWAFPCFEMAZ-HUUCEWRRSA-N 425.555 1.553 30 10 IDEE C#CCCCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286336496 YMPRKRZEGANZEZ-NZQKXSOJSA-N 431.581 1.892 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286343128 UJTMVKABCCYERG-MRXNPFEDSA-N 440.570 1.216 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1286401933 WBEURMCEKFOMLS-XMMPIXPASA-N 435.528 1.741 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(CCN(C)C)CC1 1286416231 PHYVSTQHTVFQOI-UHFFFAOYSA-N 436.608 1.486 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2nnnn2CC2CC2)CC1 1286486477 MGXBYEGHBACPOZ-HNNXBMFYSA-N 425.541 1.202 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2c(C)nn(C)c2C)CC1 1286494116 RVMIIBMILGCBAX-LJQANCHMSA-N 439.564 1.537 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286524633 ILYJSZIAFNUKKC-JRWGXLCNSA-N 431.500 1.782 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1286787396 FLTNCSZTHZJRRF-HKUYNNGSSA-N 433.553 1.844 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1286834126 AOWUGMLQDNBXCU-UHFFFAOYSA-N 442.593 1.745 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOC3CCOCC3)CC2)c1C#N 1290576354 CZNOYVZAEXYFOS-UHFFFAOYSA-N 428.541 1.412 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1290986809 WWKHGCFIDQDNKW-SFHVURJKSA-N 435.532 1.658 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300484118 RGOXOYPUDTVODV-PXNSSMCTSA-N 447.517 1.641 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300503598 FAAACUCIFFZEFX-RBUKOAKNSA-N 446.577 1.193 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1300565187 LEGOSLGPHTXSLZ-UHFFFAOYSA-N 447.948 1.396 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300665952 UIOZDLDYAHQYJO-QGZVFWFLSA-N 438.454 1.689 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300700671 UGXCBBMWXKILHJ-NHCUHLMSSA-N 430.597 1.284 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CCOC)C1 1300871461 BZWFYXVHJDDDNZ-TVFCKZIOSA-N 441.598 1.732 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(=O)NC)C1 1300874021 LBKMGIBERLNYMO-NXHRZFHOSA-N 448.568 1.129 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301490612 WLEGVVAOXGXNKU-NRFANRHFSA-N 444.923 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1301520671 LMSWPHZBNQVFFS-MRXNPFEDSA-N 430.469 1.378 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1301565837 GUSUTGXDVVVWKT-UXHICEINSA-N 446.596 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301577326 MZVYWCGCWDNWFG-INIZCTEOSA-N 435.550 1.942 30 10 IDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccsc2Br)CCO1 1303003271 DOCVJKPHQPUPNY-NEPJUHHUSA-N 437.323 1.830 30 10 IDEE C[C@@H]([C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C)S(C)(=O)=O 1303735577 FFNYVUROBZYHQN-ZACQAIPSSA-N 448.593 1.937 30 10 IDEE Cc1ccccc1Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(C#N)o1 1304560539 TVTBKJMGUQOEIR-UHFFFAOYSA-N 447.543 1.901 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3cc(C(=O)OC)ccc3C2)c1 1305056913 OYWBLNYSDPQUEI-UHFFFAOYSA-N 428.466 1.420 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](C)O1 1305141751 DHQDDJUQKIYWAZ-JZXOWHBKSA-N 444.561 1.712 30 10 IDEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1315243870 SYVXWDNNDQKECG-HXUWFJFHSA-N 432.550 1.761 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1315652853 AQKKKCWWWLQDOW-MSOLQXFVSA-N 443.504 1.790 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315893920 ICOOQLOFCXMYCG-QQMHEVNUSA-N 439.520 1.673 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSc1ccccc1 1358889422 BQVXFWPNHDBYEF-SJLPKXTDSA-N 449.602 1.861 30 10 IDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1nc(C)cc1C 1358939043 OTGUVAXVODDFTD-QGZVFWFLSA-N 441.561 1.809 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1csc(COC)n1 1358946323 QIXHXFJBXRSKKW-UHFFFAOYSA-N 435.513 1.913 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358960900 NXTICQMCOVCHDL-VGOFRKELSA-N 445.589 1.852 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358961422 YVDKJPNKDMHYGT-KRWDZBQOSA-N 443.533 1.153 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCCCN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358961546 ARSADAJATSLMKK-FQEVSTJZSA-N 448.637 1.200 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1359048002 BDMMMGWKDPCJKN-HNNXBMFYSA-N 428.518 1.681 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1 1359116383 JJBSIVDOXBFIPS-IRXDYDNUSA-N 442.582 1.344 30 10 IDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCNS(C)(=O)=O)CC1 1359165715 VFXCURDPAFVMNU-UHFFFAOYSA-N 446.581 1.158 30 10 IDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359226904 PEYIUYYWJZKVDJ-SFTDATJTSA-N 432.613 1.981 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1359329849 WVCHBCNOQRCSRH-OAHLLOKOSA-N 431.474 1.003 30 10 IDEE C[C@H](C#N)N(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CC1 1437467356 IESBFBFJBMUUIW-CQSZACIVSA-N 432.502 1.672 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2nnc(NS(C)(=O)=O)s2)CC1 1464397593 CZEGLWZXUCOZLE-UHFFFAOYSA-N 429.524 1.499 30 10 IDEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1466280831 QXNBCLWOWHSWKT-LJQANCHMSA-N 432.565 1.402 30 10 IDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2=O)cc1 1467706572 IMIKBHLABANOKG-UEXGIBASSA-N 447.413 1.586 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1470285041 FLAOSXCULSURNP-ZDUSSCGKSA-N 427.548 1.587 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2ccc(O)cc2)CC1 1471139059 DUTVELQCNPETNW-UHFFFAOYSA-N 442.541 1.555 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCCOC)CC1 1503810845 LQDRRDZUYXBUNM-UHFFFAOYSA-N 426.521 1.975 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1505144375 NTHDBJWZJBNONV-LJQANCHMSA-N 444.561 1.934 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(CC)c2)CC1 1507727194 OPQFLFBIMGWVDN-UHFFFAOYSA-N 430.516 1.749 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1507751830 RSCIWETYGCVMEM-OAHLLOKOSA-N 427.596 1.356 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1507791829 SORBSOJWLAKJFM-QXOCSCLMSA-N 444.580 1.893 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507831587 ALXYUGUQVXDHLV-RTBURBONSA-N 436.626 1.361 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](COC)C1 1508072799 KKYZJSONLPOPKI-HNNXBMFYSA-N 433.534 1.124 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1508078175 WJEKTKJXANMZGC-UHFFFAOYSA-N 439.564 1.068 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc2c(c1)OCO2 1508129449 CKUGCRPICWVBBP-UHFFFAOYSA-N 449.533 1.382 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1518612028 KTNWFCBIIKSELG-DYEBBVLBSA-N 425.493 1.661 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC(=O)NCC#N)c1cccc(Br)c1 1520737258 KLPMBLGWUGSTTG-AWEZNQCLSA-N 425.283 1.771 30 10 IDEE C#CC[C@]1(C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)CCCN1C(=O)OC(C)(C)C 1529203937 FYJYSFSBGBKWSY-KSVNGYGVSA-N 426.535 1.050 30 10 IDEE C=C(Cl)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OCC 1531936719 JJOTYSNKZSDRKL-HNNXBMFYSA-N 447.941 1.883 30 10 IDEE N#Cc1ccc(C2(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CCOCC2)cc1 1535296851 DIJULFOWXDSPTI-HXUWFJFHSA-N 435.459 1.939 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1539094457 PZIZEWYBIKZMTQ-IAGOWNOFSA-N 446.581 1.197 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539224889 JSJUWXXLUVNPSM-XUVXKRRUSA-N 443.573 1.706 30 10 IDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539376777 GRYAKRPZKYYFKI-GOSISDBHSA-N 437.548 1.528 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539484259 JFANNRUXLZCKAS-IBGZPJMESA-N 449.559 1.144 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1540862333 ZEPXJIVHICPMNW-LJQANCHMSA-N 438.532 1.264 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1540871394 KUAFOZOMQDGXNB-HZPDHXFCSA-N 431.566 1.424 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1540901705 MJKWIPJMEOFUOG-QGZVFWFLSA-N 436.582 1.339 30 10 IDEE CCCNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547247107 LWIFCOLRUICDEW-GOSISDBHSA-N 438.536 1.639 30 10 IDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cc(C)nn1C 1548369408 BALBJZAENMVDFJ-KRWDZBQOSA-N 434.422 1.696 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)ccc1F 1556795366 YDEQJPABEXUALB-MNDMWVCDSA-N 440.415 1.863 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(CN(C)C)cs1 1558403596 NZMTZYXKOWNTLF-MRXNPFEDSA-N 449.602 1.974 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)s1 1558655625 CYPWLEJGDGIHHB-GJZGRUSLSA-N 441.575 1.975 30 10 IDEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1560131838 LNTGVQSIQBDJBY-WOJBJXKFSA-N 426.517 1.799 30 10 IDEE C[C@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCN1C(=O)c1cscn1 1564531871 ZRXNCQCIXOMTJH-RRFJBIMHSA-N 448.549 1.758 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)s1 1566300509 SFWXZAADGYGXHT-ZBFHGGJFSA-N 440.543 1.699 30 10 IDEE COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@H]3CCCN(O)C3=O)c(O)c2)c1 1569675704 GMGAOCLNNNBOGK-KRWDZBQOSA-N 429.429 1.772 30 10 IDEE CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1=O 1585133113 YPFVPUCHVNHBJC-FSNCLGKMSA-N 429.542 1.950 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)C1=O 1585501906 WBGROCILXXHNBI-KFWWJZLASA-N 436.509 1.361 30 10 IDEE C#CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1CCOc2ccc(Br)cc21 1586216567 MOAUULKAFWNVHT-AWEZNQCLSA-N 430.324 1.131 30 10 IDEE C#C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)C1CCOCC1 1586731072 ZSPZYUOZRFTPHN-OXJNMPFZSA-N 448.317 1.761 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588050851 WAJVQUFBEYVGPB-XYJFISCASA-N 430.534 1.177 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc(C)cc(C)c1 1588385629 IZYPUSBIQFXZPE-FQEVSTJZSA-N 445.589 1.930 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1588574247 BCKSPJQFNJJHLY-ZDUSSCGKSA-N 426.930 1.071 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(OC)CCOC2)CC1 1588763399 XJGNUEMLAUPJFW-IBGZPJMESA-N 449.353 1.596 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1593718278 RYLJKUBYFXBWRS-UHFFFAOYSA-N 436.534 1.790 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1593747240 SHIBOZHKYSRJGV-MOPGFXCFSA-N 432.569 1.118 30 10 IDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCOC)c1ccccc1 1593789376 LLNIJHMQUHIQRD-LJQANCHMSA-N 449.577 1.797 30 10 IDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1594625081 DDOCWWIDORSAQK-CVEARBPZSA-N 430.596 1.550 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)ccc1F 1594791454 WCNIRSVQDRYJRX-HDICACEKSA-N 430.523 1.187 30 10 IDEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1595200503 GIVTUINZUVXMHO-UHFFFAOYSA-N 434.591 1.897 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CCC)C(=O)C1 1595496863 JCJJUMNXVNTILQ-UHFFFAOYSA-N 441.492 1.604 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1Cc1nnn(C)n1 1608479798 ADHPFTCJKCQTEM-GOSISDBHSA-N 448.535 1.319 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCCCO2 1609506485 AQTQCWPMSWQQSL-MRXNPFEDSA-N 426.477 1.355 30 10 IDEE C#CC(C)(C)N(C)CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1617182868 NWSNTXBARAYGRY-UHFFFAOYSA-N 441.532 1.293 30 10 IDEE COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1619955123 NVHHCNAKNQJQLV-LPHOPBHVSA-N 438.532 1.709 30 10 IDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)C[C@H]1OC 1620144316 BSHILGRHXLNKHC-DGHVEJQWSA-N 429.546 1.968 30 10 IDEE C#C[C@@H]1COCCN1C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1626206106 XMGNOBUNCJYFJB-ZHRRBRCNSA-N 447.491 1.630 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 1626966650 KSOGMPVMWRYMCM-UHFFFAOYSA-N 444.333 1.201 30 10 IDEE C=CC1(CC(=O)N[C@@H](C(=O)OCC)[C@H](O)c2ccncc2)CN(C(=O)OC(C)(C)C)C1 1631259678 ZVHFWFKWHBQIDG-QZTJIDSGSA-N 433.505 1.976 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCN(C2CCOCC2)CC1 1632600349 OSONOLNXSGVFFM-INIZCTEOSA-N 434.562 1.232 30 10 IDEE C=CCC1(O)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1635151383 AEFVMJJAPBHWBD-INIZCTEOSA-N 437.518 1.925 30 10 IDEE C#CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636838578 FGIUTQYYMWKBAP-RYUDHWBXSA-N 435.365 1.554 30 10 IDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1637512930 KFRGIGBSGRHZMX-CYBMUJFWSA-N 439.419 1.096 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)c1ncon1 1639399247 XXQBGWXLYXCTIE-KBXCAEBGSA-N 425.470 1.708 30 10 IDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)c1=O 1641281783 HIDADRZPOMKIIN-FQEVSTJZSA-N 438.871 1.433 30 10 IDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(NC(=O)C(F)(F)F)nc2)cc1 1642320828 GJXSFXMJJPKXHK-UHFFFAOYSA-N 440.403 1.685 30 10 IDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)C2)c(=O)nc1O 1653760065 QFCZOQJWUZSBRL-SFHVURJKSA-N 437.456 1.395 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)cc1 1667321768 FRYCAECMWJJUJQ-RHSMWYFYSA-N 440.522 1.064 30 10 IDEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1669427541 PHZVBRLBJVFBJJ-IUODEOHRSA-N 435.365 1.324 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCc3ccccc3)c2)CC1 1672222461 UFEQMASTNUIVQR-UHFFFAOYSA-N 428.514 1.883 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(CCc3cnccn3)CC2)[C@H](C#N)C1 1681435670 YAFUBASGEMEOKS-SJLPKXTDSA-N 429.525 1.105 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689938541 OTLCXFQLKHCQNT-UHFFFAOYSA-N 442.545 1.614 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1689998353 KBWJMXFFLJKTAZ-QGZVFWFLSA-N 428.537 1.748 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CCN(CC)CC2)CC1 1690109315 NKINBIWEUDBVEM-UHFFFAOYSA-N 427.597 1.391 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690723953 FBPOUKGPTHDRGO-ZWKOTPCHSA-N 439.626 1.624 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690731538 LBHHGHPUNZJSQY-UWVAXJGDSA-N 442.582 1.127 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(c2ccncc2)CC1 1705476477 ARACTGYJWCBDMJ-IRXDYDNUSA-N 445.593 1.658 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1705490538 MJVKMDGGNFWCAG-LLVKDONJSA-N 433.394 1.730 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2C[C@]2(O)CCO[C@H]2C)c1 1705504880 FQGVTBGAQOICFU-BXKMTCNYSA-N 448.527 1.880 30 10 IDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705568841 VYVKCVDBIPZPQS-RRFJBIMHSA-N 433.559 1.477 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1705572357 YVAQHKLSEYVMLG-ZWKOTPCHSA-N 449.577 1.159 30 10 IDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1705662431 YRNJFUSEYHSEHR-KRWDZBQOSA-N 440.577 1.130 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1705693291 DWFKVMRKVCJMJU-WBVHZDCISA-N 446.533 1.141 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2CC)C1 1705929811 YKOFNZRTIMGVTP-HNNXBMFYSA-N 442.549 1.711 30 10 IDEE CC(C)(C)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706105202 AWWDUPNZFICISO-MKRGEVTBSA-N 428.537 1.965 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC1CCCC1 1706871201 NQVWDMWTBUYCJV-RDTXWAMCSA-N 428.534 1.680 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)n1 1707827754 BRWWWPBPSJBZKA-LJQANCHMSA-N 434.570 1.209 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)C1 1712875789 HUHXCDLYOJBQRF-KUHUBIRLSA-N 437.472 1.840 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1722366929 LDIGLUPTFGTZPV-MOPGFXCFSA-N 444.557 1.856 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)[C@@H](C)CC)CC1 1722432934 JHAZGSNFKXBYAP-REWPJTCUSA-N 432.613 1.804 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722461074 ORDMUKPKTDYWQK-UHFFFAOYSA-N 447.568 1.988 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1722869750 RDHXDCNQIYPLEX-CVEARBPZSA-N 425.555 1.362 30 10 IDEE CC(C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1723629738 BLWJABJVOAJYBD-MRXNPFEDSA-N 448.535 1.565 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCN(S(C)(=O)=O)C1 1727171743 BNHIJFLTXQSKPT-GJZGRUSLSA-N 439.586 1.216 30 10 IDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1729311441 DUFSSPBVTXRWTQ-UHFFFAOYSA-N 427.509 1.168 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740717530 VBVHQEWRBJNAPK-HNNXBMFYSA-N 430.582 1.765 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)COC)CC1 1740755653 BSGHTXTYCQZXSY-OXJNMPFZSA-N 441.536 1.448 30 10 IDEE C=CCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1740887078 BOCIZZXJESIHSF-GOSISDBHSA-N 435.475 1.691 30 10 IDEE Cc1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742854130 LDWKJKQPSOZJBR-XQDODVJUSA-N 436.516 1.951 30 10 IDEE CC[S@](=O)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747464887 VAPMFSRJVACCAZ-HKBQPEDESA-N 437.529 1.567 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1)C1CCN(S(C)(=O)=O)CC1 1747623088 DCSRMVVKKKUKJB-UHFFFAOYSA-N 444.561 1.592 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748638035 IEOSZYUSGVPTQE-RCCFBDPRSA-N 425.537 1.883 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1748784401 MIBJYCXKGWNGKQ-QMHKHESXSA-N 436.516 1.845 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748812083 PMRXOWCOGBQBKT-OALUTQOASA-N 445.545 1.162 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(O)CCOCC2)CC1 1748978886 RSNYJYVFYWERMU-QHCPKHFHSA-N 447.580 1.006 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(C3CCC3)C[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1749681515 CWXDYJDAVNQNAR-JPYJTQIMSA-N 446.596 1.543 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(OCC(N)=O)CC2)cc1 1749684478 XZJSGGAUVAAPRH-UHFFFAOYSA-N 449.515 1.819 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749703522 JTRLHVZNCMRUHZ-LAUBAEHRSA-N 432.546 1.584 30 10 IDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[C@H]2C)CC1 1749917393 GFIVHUOROAUKIB-YLJYHZDGSA-N 437.548 1.357 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C)N1CCCCC1 1750154520 PPHSRBQZSLZHQM-WCIQWLHISA-N 432.569 1.995 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)C1 1751274500 TXQJYPDSQZULGJ-AUSIDOKSSA-N 443.596 1.881 30 10 IDEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1752353001 VLPJUFVIHMIADM-FTFAEBDGSA-N 430.509 1.314 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N1CCOCC1 1760180113 XHZCHARRCXCXLO-INIZCTEOSA-N 432.525 1.278 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS(=O)(=O)C1 1760195951 BWJOZBOKLDRJFV-MRXNPFEDSA-N 427.486 1.751 30 10 IDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760355749 UZDPHWIFXDUJKW-MRXNPFEDSA-N 437.570 1.037 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760373763 BQRVVLGYIJLGGV-CVEARBPZSA-N 444.001 1.921 30 10 IDEE CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1760681347 XRISEIURHKJMKC-NRFANRHFSA-N 441.515 1.420 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCC[C@H]2C)C[C@H]1O 1767921746 OMHCMOKLJFEHFS-NSISKUIASA-N 438.532 1.661 30 10 IDEE Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1769032175 SPLXVRSFEDNIIO-XUTLUUPISA-N 434.504 1.940 30 10 IDEE COCC(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1769161210 ZCPYSPFQGVGKIJ-GOSISDBHSA-N 428.493 1.764 30 10 IDEE COCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769558779 AZZAZTXVCGBQQI-JOCHJYFZSA-N 444.584 1.504 30 10 IDEE COCCOCCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1770147464 PDVBPUWXDHEGQP-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE C[C@H](C(=O)N1CCC(N2CCC(C#N)CC2)CC1)N1C(=O)c2ccccc2S1(=O)=O 1849060305 ITZSXSRPIQRHEI-OAHLLOKOSA-N 430.530 1.446 30 10 IDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)c1nccnc1N1CCOCC1 1849314258 ONMNNTXSFWQVTK-UHFFFAOYSA-N 429.278 1.935 30 10 IDEE N#Cc1c(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)nc2n1CCCC2 1852363270 CQRQGWGZTAUZFX-QGZVFWFLSA-N 427.530 1.371 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CN2CCCC2=O)CC1 1855578443 BAONTZOTQYJEMV-UHFFFAOYSA-N 431.514 1.456 30 10 IDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3ccccc3Cl)C2)CC1=O 1856553637 FEBBKJSGYIZHJY-KRWDZBQOSA-N 439.965 1.881 30 10 IDEE COc1ccccc1CCC(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870147058 VGQMBLQJBYUIGQ-UHFFFAOYSA-N 430.424 1.945 30 10 IDEE COCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)cc(OC)c1O 1874498798 FWLUNRDPWSYXHT-YAXRCOADSA-N 430.284 1.361 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccccc1C#CCN 2164485801 CDJMTIAYEQZOOW-NRFANRHFSA-N 429.473 1.763 30 10 IDEE CC1(C)OB(c2n[nH]cc2C(=O)NC2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2243403567 ZIPMKNQLQZUYCX-UHFFFAOYSA-N 440.309 1.896 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 2247551183 CPGBNXOAISMMDR-BXFSZVDSSA-N 439.553 1.979 30 10 IDEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)O2)C1 2255599171 WQJPBCWIWJOJJH-OAHLLOKOSA-N 436.314 1.142 30 10 IDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)n1 2255648538 MEJGOXZOIGUDOY-CQSZACIVSA-N 435.330 1.305 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2255697707 CXJBWISXQRPPSF-HZPDHXFCSA-N 433.314 1.091 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](OCc2ccccc2)C1 2255778867 WWIIIWFAZLGXIJ-KRWDZBQOSA-N 447.366 1.699 30 10 IDEE CC1(C)OB(c2cc(F)ccc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2255782652 GCDHZFZLNJWYCC-UHFFFAOYSA-N 430.207 1.875 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCONC(=O)OC(C)(C)C)n1 2255831357 UOYNRDARORNIEV-UHFFFAOYSA-N 438.334 1.778 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2267224709 NCFVJHFLNQPEJI-IRXDYDNUSA-N 447.341 1.481 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H]2COC[C@@H]12 2267284457 CRUIIVKUUFCKEE-ZNMIVQPWSA-N 448.325 1.943 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)n1 2267503073 XNRMAMOOHNJHPE-MOPGFXCFSA-N 441.337 1.823 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCC1(O)CN(C(=O)OC(C)(C)C)C1 2267595533 FNVIRPBCPHNTBX-UHFFFAOYSA-N 449.357 1.426 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)[C@H](C#N)C1 2267880353 SIYDDUVPMSQARA-CQSZACIVSA-N 443.313 1.361 30 10 IDEE CC#CCN(CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)C(=O)OC(C)(C)C 2300539397 NQQORQNVLNIWEB-DLBZAZTESA-N 439.553 1.981 30 10 IDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1 2320975488 IKOKEASGKXWXCH-UHFFFAOYSA-N 440.346 1.415 30 10 IDEE C=CCOC[C@H](O)Cn1c(NN=Cc2ccc(OCC)cc2)nc2c1c(O)nc(=O)n2C 2328608976 JTXMAQVJEDXAAN-OAHLLOKOSA-N 442.476 1.244 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2334263328 ATIHCHFDDBUPDG-IIAWOOMASA-N 446.357 1.765 30 10 IDEE C#Cc1cnn(C2CN(S(=O)(=O)C[C@@](C)(F)CN3C(=O)c4ccccc4C3=O)C2)c1 2364984476 ABWVWOCRRFDVGQ-FQEVSTJZSA-N 430.461 1.075 30 10 IDEE C/C(=N\Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1)c1ccccn1 20835791 ZKVAGLCLSRMHJL-SSDVNMTOSA-N 446.518 1.414 30 10 IDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cc(F)cc(F)c1 72444419 SIDULFZZZFBCKI-HUUCEWRRSA-N 443.410 1.615 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 253614648 BDCUOQKMHFZIEJ-UHFFFAOYSA-N 426.565 1.227 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(N1CCCCC1)n2CC=NN=Cc1ccc([N+](=O)[O-])cc1 254407393 QFXMGCNFYLFUJS-UHFFFAOYSA-N 438.448 1.839 30 10 IDEE CCN(CC)c1ccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254491365 JJEVRHORUMNGOE-JKSUJKDBSA-N 439.559 1.999 30 10 IDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C2CCC2)c1=O 430989056 KWASGWVEBPQVMH-UHFFFAOYSA-N 426.498 1.879 30 10 IDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 443348423 UXCQHNBTLRMQOC-UHFFFAOYSA-N 438.532 1.525 30 10 IDEE COc1cccc(N2CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)c1 481540283 JRRTWSPSPYBNIX-SJLPKXTDSA-N 442.541 1.876 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 482224752 ZFVCWKBQFIUHAG-KXBFYZLASA-N 426.498 1.537 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 494163062 LIGGVPFGAFGOGT-UHFFFAOYSA-N 439.415 1.720 30 10 IDEE COCc1nc([C@H]2COCCN2C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 508670083 KQCVIHSAVWCZTH-DLBZAZTESA-N 440.460 1.366 30 10 IDEE CN1C(=O)C[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)[C@H]1c1cccnc1 510384679 NZMUAPJLQNAXJV-PGRDOPGGSA-N 443.511 1.990 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2=O)cc1 543203656 DCGMBUCOBUXSIQ-OALUTQOASA-N 446.467 1.470 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)C2=O)cc1 549501634 YJASICTUXIZCIC-IHPCNDPISA-N 426.517 1.921 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CC1 550014073 LPQHQPZSICIWPF-LJQANCHMSA-N 435.532 1.277 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 580921680 WUAZZCVYAADKMZ-UHFFFAOYSA-N 428.445 1.990 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)OCCOCCCC)cc21 586355429 GBSVGNTYMHEPRG-SSEXGKCCSA-N 437.514 1.889 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(F)c1 586859027 PPHGMUYYYAEFML-UHFFFAOYSA-N 441.438 1.236 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C[C@@H]1CCCO1 603801200 ZQICWHPKGQOOMN-SFHVURJKSA-N 441.553 1.517 30 10 IDEE Cc1sc(NC(=O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C#N)c1C 615456277 SZRUSTLHHOUAHC-UHFFFAOYSA-N 433.559 1.645 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 732562633 GPWNJOYBDDECTF-UHFFFAOYSA-N 447.520 1.087 30 10 IDEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732700014 FASOONNPWMXGNM-FQEVSTJZSA-N 445.589 1.831 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cccc(CS(N)(=O)=O)c1 748966173 BTHKSUXCDIJUMO-HNNXBMFYSA-N 445.497 1.976 30 10 IDEE CC(C)OCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 758050443 HJJCCYAHGAKGAE-SFHVURJKSA-N 431.562 1.983 30 10 IDEE C#CCN(Cc1ccc(OCCN2CCOCC2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 768932045 LQEOEWKJSVFLDL-SFHVURJKSA-N 426.966 1.673 30 10 IDEE C[C@H]1Cc2cc(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)ccc2N1S(C)(=O)=O 780205381 MDKVHVSYRDILMB-RBZFPXEDSA-N 428.466 1.728 30 10 IDEE COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 781516854 CKMKSFBUNVZXFO-CYBMUJFWSA-N 435.278 1.373 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)n1 788671967 NLYTYRCKIASFOL-UHFFFAOYSA-N 448.549 1.669 30 10 IDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)n1 789320978 MERCZYRGBWQYJH-UHFFFAOYSA-N 438.937 1.660 30 10 IDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)n1cnc(C#N)n1 798400379 CPMIXHJUUDGFNA-XFJHAZTOSA-N 429.506 1.942 30 10 IDEE CCO[C@@H]1C[C@@](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)(C(=O)O)C1(C)C 799250551 KUSFEYZXHANYAK-FOIQADDNSA-N 437.518 1.280 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCCS(=O)(=O)CCc3ccccc3)cc2C1=O 800351000 NMFXZYLPEJISMV-UHFFFAOYSA-N 426.494 1.856 30 10 IDEE O=C(N1CCO[C@H](C(F)F)C1)C(F)(F)C(F)(F)C(=O)N1CCO[C@H](C(F)F)C1 801008482 QTWANVFIVDXYGV-YUMQZZPRSA-N 428.276 1.242 30 10 IDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 804456283 WFWSNTXIHPSAFY-SFHVURJKSA-N 426.494 1.842 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)n1 807753519 BPIVSHACSHFTCX-SFHVURJKSA-N 434.500 1.554 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 809892765 DVXQGMLCEJFGTE-CVEARBPZSA-N 432.525 1.584 30 10 IDEE N#CC(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1Cc1ccon1 811726706 GIGMOVBTWPLGOZ-UHFFFAOYSA-N 427.367 1.863 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(=C)C)CC1 812177567 JFNXNPCETUGNMW-GOSISDBHSA-N 430.553 1.918 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2n[nH]c(C)n2)CC1 1164291465 GRTVTPKIKFAMJO-INIZCTEOSA-N 445.549 1.059 30 10 IDEE N#CCC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1 1170399031 GXQPZZGOIXDAMQ-UHFFFAOYSA-N 444.488 1.655 30 10 IDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCN(CC)CC2)c(F)c1)c1cc[nH]n1 1175284169 FDTSJYYGBYEACF-UHFFFAOYSA-N 446.483 1.613 30 10 IDEE C#CCNC(=O)C1CCN(C[C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)CC1 1205510109 USXJTSQDWKKZEJ-GOSISDBHSA-N 431.581 1.873 30 10 IDEE C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CCOCC1 1231331328 JOPHYVYVJMAESY-QZTJIDSGSA-N 436.553 1.477 30 10 IDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)C[C@H](O)c3cccc(C#N)c3)C2)cc1 1248532161 WGYSIUNCHCKXNF-FQEVSTJZSA-N 444.513 1.315 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccco2)C1 1286352982 PKKUMJGIMNMLTO-ZWKOTPCHSA-N 449.533 1.195 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286564507 GQQYXDLUAUHVSR-SPEDKVCISA-N 433.553 1.613 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1nccnc1C 1286582332 WSKZZBCCGZGWFA-GOSISDBHSA-N 449.581 1.355 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1286614853 CVWRBZYKXQTWFA-JKSUJKDBSA-N 432.550 1.269 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1)C1CC1 1286736652 HNDWRBZDZFJVAE-GOSISDBHSA-N 435.525 1.953 30 10 IDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286770454 LRGJDIDZDWBJGA-FUHWJXTLSA-N 444.561 1.438 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286780346 DTJIDOYYAYXLHI-UHFFFAOYSA-N 446.581 1.118 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1288226566 HJZVXAYONBFYCJ-QFIPXVFZSA-N 426.521 1.851 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1288321741 ZYLJLAGGLAZARZ-BTYIYWSLSA-N 428.493 1.499 30 10 IDEE COC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1299328459 YFDVBHNBXOBOIX-UPTRSRDDSA-N 430.509 1.491 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300381521 SWKNAWUQUUFFJI-JOCHJYFZSA-N 440.935 1.991 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](C(N)=O)C1 1300386992 XRPCTYMZJQAPNH-INIZCTEOSA-N 443.577 1.662 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 1300411756 WSPYEBVOIPSWFM-LJQANCHMSA-N 447.536 1.726 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC(OCC)C1 1300458757 MVVGEEGPRDWPFJ-UHFFFAOYSA-N 425.537 1.452 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300502684 VXZVQOHYIINFRB-MSOLQXFVSA-N 449.602 1.830 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1300558955 GNGMVYJFPIIXTI-QHCPKHFHSA-N 443.548 1.064 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300581445 SIUUXAFXGPZUEG-FQEVSTJZSA-N 448.527 1.246 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1300651042 ZQXNDGRLCZNFQC-WZONZLPQSA-N 441.532 1.773 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)c2ccccc2)CC1 1300682400 HESXAAVCJZKSSQ-OALUTQOASA-N 444.605 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)on2)CC1 1300716713 PMBZYNXAUIXSTN-JOCHJYFZSA-N 442.520 1.241 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOCC1 1300891462 LCANGZNYYLKUSZ-RBBKRZOGSA-N 443.596 1.889 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cnccn2)CC1 1301588964 MXNPKRYCDKARLK-QGZVFWFLSA-N 447.565 1.237 30 10 IDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1301817861 HGZXYHZGQSTMFC-RBUKOAKNSA-N 435.532 1.836 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(CS(C)(=O)=O)CC2)CCOC1 1303474485 BETHBDUXLZRLIK-JXFKEZNVSA-N 439.582 1.882 30 10 IDEE N#Cc1ccc(OCCCN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1307957577 MGBMJBHVOULXAN-UHFFFAOYSA-N 428.558 1.923 30 10 IDEE C=CCC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1310013136 ISXLDBKRMGUKLI-HNNXBMFYSA-N 427.523 1.555 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCSc2c(C)[nH]c3ccccc23)CC1 1313440034 FOWQHAQYDVLXLA-UHFFFAOYSA-N 435.575 1.363 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CCS(=O)(=O)CC2)C1 1315087213 BNBDIPLBLGJKJV-SFHVURJKSA-N 443.529 1.641 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CC(F)(F)CO2)c1 1316528833 ITDMBPJYQXCBFL-QGZVFWFLSA-N 446.458 1.712 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358963123 CDXDPXSGEPWKNJ-UXHICEINSA-N 428.558 1.960 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Br)n1 1358981603 QEUHRRDOBQUYJX-UHFFFAOYSA-N 427.306 1.679 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1358984503 YXHAWTFUXGFAID-JOCHJYFZSA-N 444.605 1.087 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCC(=O)NC2CCCCC2)CC1 1359044628 KNCBKPJUDDLCDS-UHFFFAOYSA-N 426.565 1.960 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1359070337 KRFZMEIMPIJREL-LAUBAEHRSA-N 447.605 1.821 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359096508 CPRLPTWCMKYLMD-JZXOWHBKSA-N 447.565 1.234 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359132313 UGFXRODVOSYTPA-INIZCTEOSA-N 432.525 1.633 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N2CCOCC2)CCSC1 1359245106 CCMXGADAYWVURU-BBTUJRGHSA-N 437.610 1.832 30 10 IDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359247361 ZWFAUNCUUKWSCW-UXHICEINSA-N 440.566 1.023 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359301004 OUIBKWWDWWWAOC-GOSISDBHSA-N 428.512 1.546 30 10 IDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)C1 1359341368 VAEHLELNCHMXIJ-UHFFFAOYSA-N 435.579 1.094 30 10 IDEE CN(C)c1ncc(Br)c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 1361176275 LDKDMTADPJAFFH-UHFFFAOYSA-N 430.310 1.971 30 10 IDEE C#CCC1(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)CCC1 1439555698 PDEMIMNIYQOZGP-UHFFFAOYSA-N 444.557 1.589 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)c1 1450527374 LQUJMOUOIXAPJZ-OAHLLOKOSA-N 441.550 1.403 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1468882853 TUXAVGNIWJEUAQ-FQEVSTJZSA-N 426.494 1.842 30 10 IDEE N#Cc1sccc1N1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1469735778 HGFRFVHDNAMDIT-UHFFFAOYSA-N 449.514 1.833 30 10 IDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2)C1 1469863565 FHIOIFBEJJOUJX-BUNACBEFSA-N 427.461 1.747 30 10 IDEE C#C[C@@H](NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)C1CCOCC1 1470864978 LXAQRTKDVCYWKA-DLBZAZTESA-N 435.521 1.466 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(O)n3)C2)cc1 1471855373 WWZBENHGLZXLPW-MRXNPFEDSA-N 431.518 1.354 30 10 IDEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1493777243 BQISWPCXMITGMM-IERDGZPVSA-N 445.545 1.515 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1502674629 MKURXVKPUTWJKD-FOVKVLHESA-N 430.509 1.303 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[C@@H]1C 1504505566 WEWVYAGLFFPWQV-KLHJMIIUSA-N 445.545 1.228 30 10 IDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC[C@H]1C 1504520993 SSVOOLWEFVPVEB-PBHICJAKSA-N 448.474 1.971 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)C[C@H]1C 1504913070 GDTHDKCDIYIYTI-XLIONFOSSA-N 428.537 1.635 30 10 IDEE CSCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1505247258 WZGITGPMIBBHEU-KRWDZBQOSA-N 440.577 1.966 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCNC(=O)C2CCC2)c1 1505313774 GFXIQEDOKDVJNY-LJQANCHMSA-N 435.532 1.825 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC1 1507521445 MXFZEENMKIDBBJ-KRWDZBQOSA-N 430.578 1.749 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507575931 IABINSKCPJOMTC-OAQYLSRUSA-N 427.530 1.478 30 10 IDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1507583374 QMSZXGDGQPFSAN-UHFFFAOYSA-N 430.516 1.882 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507801366 UQBHBWXMUKBUNS-IYWGDAJJSA-N 446.596 1.756 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507881660 SUKAJIWPIXYXGH-IGGDJGDASA-N 430.509 1.685 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 1507954368 MBZYMCDOPANPID-IBGZPJMESA-N 447.561 1.846 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1508071539 ADTZBDRTXARSMJ-FUHWJXTLSA-N 444.511 1.380 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508098237 ZCEHTFLODROCIB-HZPDHXFCSA-N 434.541 1.877 30 10 IDEE CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1508793445 HZXOHNVDNPBSTE-SFHVURJKSA-N 447.547 1.982 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1CC1 1510198741 ZUPNOLYBIGHOHO-GFCCVEGCSA-N 431.522 1.223 30 10 IDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1516160377 CEUJHUUGELFNQJ-HSZRJFAPSA-N 445.612 1.696 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539204012 XOISMKMJFLKBRZ-QGZVFWFLSA-N 447.536 1.425 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCCCC2)CC1 1539463166 VYLPGWITFVSEDX-FPOVZHCZSA-N 444.580 1.160 30 10 IDEE C#CCSCCn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539524791 OEFCGYBFSFYELD-UHFFFAOYSA-N 447.630 1.901 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1COCCO1 1539540462 PSNCANQJMKJYEQ-LAUBAEHRSA-N 430.530 1.756 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCNS(=O)(=O)CC 1539541172 BJRANAPXJYFPDS-UXHICEINSA-N 439.582 1.250 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539596206 JEDLGVAOCFVKBN-CYBMUJFWSA-N 448.387 1.599 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)nc1)C1CC1 1540107835 DFJWIODKHDYLCP-KRWDZBQOSA-N 448.549 1.218 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540867835 JPDHTKZKMUFBAM-GOSISDBHSA-N 440.548 1.414 30 10 IDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540874236 ZBOWUQOECZSRMZ-INIZCTEOSA-N 426.521 1.041 30 10 IDEE CCNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(=O)NCCOC)C1 1548368118 USGUQRIKWJWXPM-MRXNPFEDSA-N 427.427 1.560 30 10 IDEE C#CCN(C(=O)CC1CCN(S(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1558369573 ALMABVDSIALIOW-UHFFFAOYSA-N 441.594 1.909 30 10 IDEE C=CCn1cc(C(=O)N2CCN([C@@](C)(CO)c3ccc(Br)cc3)CC2)nn1 1558685688 ZGOTUWVRVLGIST-IBGZPJMESA-N 434.338 1.892 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)C1 1560193656 IASPBBJSNUOQOE-LNKGRISISA-N 425.551 1.273 30 10 IDEE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CC2 1587193567 DMQXURNJTNKADB-UHFFFAOYSA-N 437.474 1.234 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588024598 HMSHXUHZZIYGMK-IRXDYDNUSA-N 435.594 1.869 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588064719 NYKNLNBVPQYILL-AZUAARDMSA-N 433.622 1.978 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1588228379 FDJUJFXQZGHWIC-PXNSSMCTSA-N 435.619 1.080 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCc2nnc(C)s2)CC1 1588968831 QTDPXOBHOOWNHX-UHFFFAOYSA-N 431.566 1.573 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1589059950 LGSNIXOBUGAGCI-KRWDZBQOSA-N 445.593 1.322 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1589216573 RTXVXUGFOPWDMG-FXAWDEMLSA-N 448.524 1.186 30 10 IDEE C=CCCOCCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1594830526 YNZADUWZOHLGJL-UHFFFAOYSA-N 434.585 1.149 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2nccs2)C1 1595562181 PQMKPTQVGWBBLR-INIZCTEOSA-N 425.518 1.601 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595577471 SXOVEIKBVYSWIP-HXUWFJFHSA-N 449.559 1.953 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595797969 KHGLOLJFTDMNEW-HLIPFELVSA-N 440.566 1.157 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1595798385 OTRKFBVDUOJLBO-KRWDZBQOSA-N 433.534 1.118 30 10 IDEE C=CCC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1596593411 OUMLADUFJLVLAV-ZACQAIPSSA-N 442.578 1.586 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1610418435 XXIVNUOAUUEMTA-ZPMCFJSWSA-N 433.553 1.989 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2CCN2CCCS2(=O)=O)n1 1612485248 GFFJYDIRSDSGDE-UHFFFAOYSA-N 446.581 1.305 30 10 IDEE C[C@H]1CC[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1612717326 ANQVBTWHWVDHIV-JKSUJKDBSA-N 432.550 1.903 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)c1OC 1616488140 MRHZYOLBEMKJFL-CXAGYDPISA-N 433.486 1.358 30 10 IDEE COC(=O)c1c(C)ccc2c1N(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1616878433 LOMOMMUXZAUIMT-UHFFFAOYSA-N 427.482 1.800 30 10 IDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1617910949 WXJHCGYJJIUNBE-FQEVSTJZSA-N 432.484 1.849 30 10 IDEE CCN1CCN(CC(C)(C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1618613901 ICBYMKLRWLZIFO-LJQANCHMSA-N 432.638 1.463 30 10 IDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 1620154512 DQZHHSVDHWHHSX-KRWDZBQOSA-N 444.517 1.282 30 10 IDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1628667330 SGCSUUMRZWJZFG-NRFANRHFSA-N 443.525 1.509 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)[C@H](C#N)C1 1630719645 GHIKJAGORNMIQG-GFCCVEGCSA-N 444.460 1.215 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)c1 1633723547 SALQHPKXNSBDRI-UHFFFAOYSA-N 429.527 1.936 30 10 IDEE C=CCC[C@@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1636468843 CYWFHQQCDHQOCP-YCRPNKLZSA-N 428.526 1.778 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 1638392493 DFEOFUZSCYDORH-ROUUACIJSA-N 435.569 1.147 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc2S1(=O)=O 1639961296 BWCKKBSGNDPPAW-GOSISDBHSA-N 443.481 1.155 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2Cc3cccnc3NC2=O)C1 1643856601 IXKZROQSYUVQPG-OAHLLOKOSA-N 426.274 1.832 30 10 IDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)oc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1644790510 ZNQBQJLVMQAMIF-UHFFFAOYSA-N 425.507 1.710 30 10 IDEE CN(C)Cc1nc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)co1 1645496981 ZMDWOUYIQZSEMC-UHFFFAOYSA-N 433.534 1.652 30 10 IDEE N#Cc1cn(C2CN(C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)C2)c(=O)nc1O 1648028788 ODJDYCCEEWAKTH-FQEVSTJZSA-N 443.463 1.765 30 10 IDEE C#CCN1CCC(NS(=O)(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)CC1 1657038956 QWMWXRDGQUJXEG-UHFFFAOYSA-N 448.010 1.746 30 10 IDEE C#CCCN(CCOC)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1670588258 KMCMCZPEAKHLPO-UHFFFAOYSA-N 430.324 1.300 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1684988499 IDUJSTXKHQTHCX-UHFFFAOYSA-N 425.580 1.702 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@@H]2COCCO2)CC1 1690139561 RJBATANKFDMTHK-GOSISDBHSA-N 427.505 1.618 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690299067 CXAKUXUQAQSITN-SQNIBIBYSA-N 441.598 1.686 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(N)=O)CC1 1690420008 IFRGSPRELHJDJP-AWEZNQCLSA-N 426.587 1.582 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 1690543509 HAGFVMFYAFXLHP-CABCVRRESA-N 428.459 1.647 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1690622737 WVHRHGGMLAPVRY-UTKZUKDTSA-N 434.562 1.727 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(N)=O)cc2)C1 1690684763 NHDQAGPGNZJXCO-KRWDZBQOSA-N 427.509 1.737 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1690694950 YGAXKSOKOXFDLY-IAGOWNOFSA-N 434.566 1.346 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1694211373 CNLPQKZFJCFHRM-SFHVURJKSA-N 439.564 1.890 30 10 IDEE CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695218405 FUWYBAGPIAYMJZ-LSDHHAIUSA-N 447.569 1.065 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)C1 1695960935 WCZXQTQNRYNFCJ-INIZCTEOSA-N 429.506 1.315 30 10 IDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2C[C@@H](C)COC)CCOC1 1696056293 HTACQEKPGVGKHG-IVZQSRNASA-N 442.520 1.748 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1697452534 APPAKHKVOQOLTL-FOIQADDNSA-N 449.508 1.688 30 10 IDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1697972181 NQOYEYANJDSFCS-UHFFFAOYSA-N 432.550 1.715 30 10 IDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1-c1ccccc1 1698058245 CUJJHKYGPMGYCZ-UHFFFAOYSA-N 449.519 1.510 30 10 IDEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCOCC(F)F)CCO2)c1 1698485517 GMJUSIVDLHIYIG-IAGOWNOFSA-N 446.458 1.960 30 10 IDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1705534216 BYYADTIOXQATLE-DLBZAZTESA-N 447.536 1.999 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2ccnc2)c(F)c1 1705552064 VLCDMFQVQMOITL-INIZCTEOSA-N 428.493 1.623 30 10 IDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccc(C)s1 1705554586 YXWMBSACQGFVTD-UHFFFAOYSA-N 430.559 1.682 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1705564822 CXCAPUZHQSXILC-NWZZKEMCSA-N 449.577 1.204 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705566346 MSXBZVXXFMZXNA-OALUTQOASA-N 435.594 1.632 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705580564 KJBPMBQVNGJATE-RBBKRZOGSA-N 445.571 1.513 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OC)CC1 1705648192 RMCPNHHQBQYFNM-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1705903425 VHTFJQMTYPMWHU-SFHVURJKSA-N 443.523 1.797 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705904898 BQDCQJPTCLPZRB-HXUWFJFHSA-N 439.564 1.115 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705905639 BQYYGRGVMNAUKK-UHFFFAOYSA-N 445.593 1.631 30 10 IDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1706212988 BXVMQCQTTTUOPI-UHFFFAOYSA-N 433.520 1.688 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCC1 1706608155 HONYQTDYLGQYAU-UHFFFAOYSA-N 425.493 1.256 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C(C)C 1708954427 GQQCZJJPZAVZNY-GOSISDBHSA-N 426.521 1.920 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccn(CC)c2=O)CCOC1 1710456791 GQCOXYYEKKZGEG-NHCUHLMSSA-N 430.484 1.602 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1711147846 NQYRTQAVXLFZJP-LZICOFPGSA-N 425.493 1.805 30 10 IDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1)OC 1712152643 GQSZELUOIYNFCZ-OFNKIYASSA-N 440.548 1.779 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCSC1 1712454080 HODPLSDPPYWYFC-HOTGVXAUSA-N 427.596 1.690 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1722275633 CTEQRAHFFZXHJG-JLCFBVMHSA-N 427.505 1.907 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C(C)C)C(C)C 1722293231 BZVNGDASYLVRGY-ROUUACIJSA-N 440.614 1.188 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1722414066 VFKLUHLHZALAKC-KSZLIROESA-N 449.552 1.586 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1722448926 IPYNYHSLVCZRSG-RXVVDRJESA-N 436.560 1.902 30 10 IDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722579393 GXLXABKQZDDQBM-UHFFFAOYSA-N 431.562 1.606 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1n[nH]c(C)n1 1722676968 PXEDKQDEHSUKBN-INIZCTEOSA-N 445.549 1.678 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ncccc2F)CC1 1722692137 FLKAHQYKYWXTJW-UHFFFAOYSA-N 445.499 1.300 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1722699640 LXKNMCOOMVXYFS-UHFFFAOYSA-N 432.912 1.713 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1722749668 IMEVTMSENCIPPS-GOSISDBHSA-N 431.562 1.810 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1726445425 DYBFURLHESHGNQ-HNNXBMFYSA-N 433.472 1.507 30 10 IDEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(CC#N)CC3)n2Cc2ccoc2)C1 1731012296 FIGYTTXBZJUUMN-QGZVFWFLSA-N 434.522 1.382 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1740616312 YNQSTMVOJOEQHR-QGZVFWFLSA-N 429.546 1.350 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1740629838 BSFJQDQTKHEZRV-RCCFBDPRSA-N 435.594 1.802 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1740843239 BUFJDONQEQNUIB-LSDHHAIUSA-N 436.586 1.961 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1740961615 FWTVYGNZAXFVKI-UHFFFAOYSA-N 434.500 1.974 30 10 IDEE CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1746378928 BDFXHDLHJLUKSO-CJMKZDRPSA-N 443.552 1.227 30 10 IDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1747998901 DIODDQUTRFELLT-GOSISDBHSA-N 430.534 1.467 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748799285 FNEXINPCUFHSRS-KRWDZBQOSA-N 431.562 1.770 30 10 IDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748815784 UBOXBXXEQJAKOZ-BBWFWOEESA-N 433.578 1.682 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748817131 FTYANXCPHJCIIQ-SFHVURJKSA-N 437.610 1.216 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748847935 YYCWDIHCDDPYCX-LJQANCHMSA-N 441.557 1.544 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCN2CCCO)CC1 1748994736 PGFMXASNQBEUFB-QHCPKHFHSA-N 436.604 1.665 30 10 IDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1749790199 GKLSRGGEEJLZML-SFHVURJKSA-N 435.532 1.648 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCC(F)(F)F)CCOC1 1750062953 ZKERQTAEZPWRBP-SUMWQHHRSA-N 432.447 1.593 30 10 IDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCOCC1 1750418662 LMJNFNJMYFNODG-FBMGVBCBSA-N 429.868 1.357 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)n1 1760253395 YGEDFGLSUVILDM-QGZVFWFLSA-N 435.488 1.778 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1760504860 DPGRIURVXXUDLN-QGZVFWFLSA-N 444.561 1.709 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F 1760515054 AERCPAZNMFBCGX-CQSZACIVSA-N 438.529 1.274 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2ccccn2)C1 1760544057 VEWAEYYAIANKMB-MSOLQXFVSA-N 446.577 1.859 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncn(C)n1 1766081265 DEKHUUMCDQVSNS-HXUWFJFHSA-N 426.456 1.875 30 10 IDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1766959310 IVEPLZXHWPZYSY-DPPKGPFUSA-N 433.472 1.568 30 10 IDEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1767189247 JPNVATKUSSEZJM-PREGVCBESA-N 425.468 1.989 30 10 IDEE CCOC1CC(O)(Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1767695056 GGLIEHTZZFMVKK-FQWCMUAHSA-N 426.525 1.147 30 10 IDEE COC[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1769244834 FLYHROIERDEINC-IBGZPJMESA-N 434.504 1.595 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1769845707 RYUUPTFZHMOXAK-SJORKVTESA-N 425.555 1.363 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1Cc1ccc(C#N)o1 1770003963 KGIWVPRBAJGTCB-HNNXBMFYSA-N 428.493 1.622 30 10 IDEE CO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770268917 YSTIRONZVHUIMF-SGRLSNSRSA-N 440.479 1.760 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1770675118 GOTBVWDAASRATA-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1770980965 HOFATYKAKWSRPS-DENIHFKCSA-N 437.504 1.647 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NC1CCCCC1 1771305095 SKMLEYBFAZOTHV-IEZWGBDMSA-N 432.525 1.180 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)CC2)c1 1849896597 UZHQWKBIDZLFFG-GOSISDBHSA-N 439.541 1.565 30 10 IDEE CN1CCN(c2nc(NC(=O)c3ccncc3Br)c(C#N)cc2C#N)CC1 1851216639 BYHMWJVBJLLFSS-UHFFFAOYSA-N 426.278 1.987 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)CC1 1851302900 MQOCZRHBIYRLRZ-UHFFFAOYSA-N 430.512 1.985 30 10 IDEE Cc1c(Br)c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nn1C 1852138339 ZHFSXHIJBYNQFS-UHFFFAOYSA-N 433.310 1.737 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC#CCN(CC)CC 1852166360 AHXYIAJGDXWQLF-UHFFFAOYSA-N 437.562 1.181 30 10 IDEE Cc1nc2ccnn2c(C)c1CCC(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852235153 FBWPUZHCGDINNP-UHFFFAOYSA-N 433.516 1.911 30 10 IDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@H]1CCS(=O)(=O)C1 1854340555 ZTQIXFRYKXBMHQ-OAHLLOKOSA-N 437.949 1.904 30 10 IDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC(COc4ccccc4)C3)ccc21 1855775087 OKNKBQNRXNNWEV-UHFFFAOYSA-N 425.466 1.715 30 10 IDEE CCn1nc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)cc1C 1856306848 NHRBKXMRKOOCRE-INIZCTEOSA-N 426.546 1.704 30 10 IDEE CC#CCN(CC(=O)NCC1(O)CC(NC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900623121 XEEDOAKDUVPVJC-UHFFFAOYSA-N 425.526 1.781 30 10 IDEE C=C(Br)CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 2013098939 QLIZTTSBXSQHIQ-QWHCGFSZSA-N 425.345 1.935 30 10 IDEE N#Cc1ccc(S(N)(=O)=O)c(I)c1I 2055360242 QBALVHJLUYIEKP-UHFFFAOYSA-N 433.996 1.415 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2081009471 OGRXQYGVWFJARN-HRCADAONSA-N 438.330 1.118 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCC(=NO)C1 2108229265 SMZNNQXQZQFTRQ-YJYMSZOUSA-N 425.482 1.951 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(N)=O)Cc3ccccc3)s2)OC1(C)C 2243435671 VBKKXIJAUIKGCE-UHFFFAOYSA-N 436.364 1.724 30 10 IDEE C=C(CS(=O)(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247903078 DMKAECYKUJDKHA-YPMHNXCESA-N 440.293 1.893 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2248432887 BUBCOKMJBHNOBZ-CYBMUJFWSA-N 440.371 1.797 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255541997 LLADLUWQVISDFA-DZGCQCFKSA-N 434.346 1.705 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC12CC2 2255598905 ZUVBDSRKZWDHII-AWEZNQCLSA-N 432.330 1.838 30 10 IDEE CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255608342 KKAYFRCXTWAMJW-JOCHJYFZSA-N 428.342 1.918 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C12CC2 2255629685 ZSDFBCIDFZOPBX-AWEZNQCLSA-N 432.330 1.981 30 10 IDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2255698698 RXTIOGVLKPILEB-UHFFFAOYSA-N 432.330 1.578 30 10 IDEE C[C@@H]1[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2255700228 ZSUZLDGFPISQTE-UKRRQHHQSA-N 432.330 1.904 30 10 IDEE CC1(C)OB(c2scnc2C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)OC1(C)C 2255810455 CMPAIUAIIAHABQ-QFIPXVFZSA-N 443.378 1.809 30 10 IDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255874169 KBFYICQYZBFUSR-CYBMUJFWSA-N 435.334 1.196 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256066546 DLYCSZVNLHTBPM-UONOGXRCSA-N 432.330 1.809 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)nc2)OC1(C)C 2256922871 JMIMOCKVVLAGHK-INIZCTEOSA-N 427.266 1.176 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2267127993 VDYBUNFTFYXEER-SQWLQELKSA-N 446.357 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C3CN(C(=O)OC(C)(C)C)C3)C2)n1 2267177906 VHENQBHFEZJBIG-UHFFFAOYSA-N 446.357 1.658 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H]2CC[C@@H]21 2267194001 ASQQJEMNYQIZPI-CVEARBPZSA-N 444.341 2.000 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2267271472 RYXHJGCHBGATCX-OKILXGFUSA-N 449.361 1.680 30 10 IDEE CC1(C)OB(c2ccc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)nc2)OC1(C)C 2267272226 XWRIHBKALZPKOF-UHFFFAOYSA-N 441.259 1.912 30 10 IDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2269073009 FGJORRUIRLVCLA-RHSMWYFYSA-N 441.293 1.564 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N(CCO)CCCO)cc2Cl)OC1(C)C 2282829417 DRKVEFWFRRHWSQ-UHFFFAOYSA-N 425.765 1.066 30 10 IDEE COC(=O)[C@H](CS(=O)(=O)N1CCC([C@H](C)C#N)CC1)NC(=O)OCc1ccccc1 2286047417 GPEVAVYFTIGAKU-QAPCUYQASA-N 437.518 1.656 30 10 IDEE CCCCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 14032185 JJUBTBRDRULBBF-UHFFFAOYSA-N 449.558 1.954 30 10 IDEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1 20827648 BIPHFDCQDYFIRW-LSFURLLWSA-N 427.538 1.932 30 10 IDEE Cc1cc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccc(C#N)cc2F)c(C)s1 480684650 UMWYQINVRHTVDB-UHFFFAOYSA-N 431.536 1.774 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 483100346 NNCAEDIELZETRA-YJBOKZPZSA-N 432.546 1.522 30 10 IDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 484543286 PJHKPJNNFGAEFQ-QGZVFWFLSA-N 441.578 1.167 30 10 IDEE C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@H]1[C@H]2O)[C@@]1(C=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O 504284186 ZJRYOJLHQNZBNA-GDUAFIBYSA-N 448.512 1.358 30 10 IDEE biogenic C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(c2cccnn2)CC1 508876956 ZONXTNDYNYOEOI-UHFFFAOYSA-N 425.518 1.651 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1C[C@H]1CCCO1 514918185 UYYOLMMKKWPAFW-MRXNPFEDSA-N 431.945 1.771 30 10 IDEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 519037144 RGUWSPHAICUQIW-UHFFFAOYSA-N 427.530 1.827 30 10 IDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCN1CCOCC1 522386330 NXRLFOGOADYFIU-UHFFFAOYSA-N 443.544 1.499 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccccc1 527277645 YGKHYMNNNCVOSQ-GOSISDBHSA-N 431.517 1.852 30 10 IDEE C[C@@H](C(=O)Nc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1)n1cnc(C#N)n1 538593066 UHUZZTYAYWLXRV-NSHDSACASA-N 431.503 1.723 30 10 IDEE C=CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598203 CSANRAILMKWPIG-UHFFFAOYSA-N 433.493 1.345 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(S(=O)(=O)CC(C)C)CC3)cc2C1=O 540800427 WCGRRXAOJGPBPY-UHFFFAOYSA-N 433.530 1.649 30 10 IDEE COC(=O)c1cc(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc(C(=O)OC)c1 545504996 JONAKHVGVNFIAA-UHFFFAOYSA-N 437.456 1.287 30 10 IDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 571842765 MJOWFNLNZZVVRG-GOSISDBHSA-N 425.493 1.782 30 10 IDEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609256988 ONOJUGONEFUYTO-UHFFFAOYSA-N 446.460 1.402 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1Cc1ccccc1 611492422 JSMNHSJOIGITPK-UHFFFAOYSA-N 438.440 1.254 30 10 IDEE CCOc1cc2c(cc1/C=C\C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)O[C@@H](C)C2 732910113 MGVYZVJWGJXLHA-YXVLKGNQSA-N 432.498 1.388 30 10 IDEE C[C@H](CC(=O)OCc1cnn(-c2ccccc2)n1)/N=C1/NS(=O)(=O)c2ccccc21 744055821 MWLZUWLBIWITNY-CQSZACIVSA-N 425.470 1.828 30 10 IDEE Cc1ccnc2[nH]c([C@H](C#N)C(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)nc12 750721128 APVSMMVCJWZHQJ-VQIMIIECSA-N 428.452 1.918 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C[C@H]1CCCCO1 758097618 DZXTYDAYPUYHQY-QGZVFWFLSA-N 443.573 1.115 30 10 IDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 768724110 GEWRTJUSMRMNSJ-WUKNDPDISA-N 428.836 1.107 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](CO)c1cccc(Br)c1)c1cc[nH]n1 772517266 HKYHNJBJVNRWLK-CQSZACIVSA-N 439.266 1.306 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CCOC 782919886 VNWSZPVFZJCTQX-UHFFFAOYSA-N 436.537 1.524 30 10 IDEE N#C[C@]1(F)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)C1 786272404 YIUOWFKIJZPDJB-MRXNPFEDSA-N 446.298 1.548 30 10 IDEE CCOC(=O)CON=C(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc[nH]n1 792556680 XJOXQSQDLSTDAP-UHFFFAOYSA-N 445.442 1.615 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CNC(=O)OCc4ccccc4)n3C)CC2)c1C#N 800725510 FINLDXJSUQLZOM-UHFFFAOYSA-N 449.519 1.482 30 10 IDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)C[C@@H]1N1CCOCC1 802454557 XRYWPJHBCCFABE-CTNGQTDRSA-N 440.548 1.922 30 10 IDEE CO[C@H](CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N)C1CC1 814707817 XHXLRPCABXONNM-RTBURBONSA-N 443.573 1.983 30 10 IDEE O=C1[C@@H](NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)CCN1O 820175402 XXHSJSNKUBFUGB-GAJHUEQPSA-N 434.452 1.272 30 10 IDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)C#Cc2cccs2)CC1 1136233080 FXLYKTVXLNMASG-UHFFFAOYSA-N 436.511 1.629 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 1136672104 BUJWKGSSCDXSEG-YLJYHZDGSA-N 441.532 1.458 30 10 IDEE N#Cc1cccc([C@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CCO2)c1 1137993897 DUWIFPHSFUPCTP-RTBURBONSA-N 440.887 1.786 30 10 IDEE O=C(NCc1cccc(Br)c1)NC1(C(=O)N[C@H]2CCN(O)C2=O)CCCC1 1141380180 ILZNMBHXVKGHTN-AWEZNQCLSA-N 439.310 1.667 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)s1 1143573211 IRUNOYASBBNHFT-IBGZPJMESA-N 442.603 1.829 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1cccc(Br)c1 1146246768 FLUAACGPCYEJEJ-UHFFFAOYSA-N 445.335 1.531 30 10 IDEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1159051761 RFXYXVPCWFDFGB-NDEPHWFRSA-N 440.591 1.286 30 10 IDEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1214205726 LECLZADAHMCXSX-HOTGVXAUSA-N 425.532 1.172 30 10 IDEE C=CCc1ccc(OCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)c(OC)c1 1275707739 XFJOLMPPSJWNCK-INIZCTEOSA-N 439.530 1.770 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1286275810 UUVJDYQIBIUHHK-UONOGXRCSA-N 442.549 1.488 30 10 IDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286350441 DIVROPAREVONBJ-KRWDZBQOSA-N 426.908 1.083 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccsc1Br 1286361756 SUCZAMQAGVRYNE-JTQLQIEISA-N 432.369 1.830 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286410580 CZWKLMHHWPHTGL-UHFFFAOYSA-N 433.537 1.930 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286425199 WKVNDKZSYRZHQO-MRXNPFEDSA-N 446.964 1.738 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)c1ccccn1 1286448079 PFROURABAZIKQY-KRWDZBQOSA-N 446.577 1.443 30 10 IDEE C#CCSCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286511673 CRRUOUPBTMQPHE-LLGFUMIMSA-N 449.577 1.620 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1286521666 BOQZMYCGJANJAO-WIYYLYMNSA-N 447.536 1.791 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1286592691 QWJYMFRSPOTSDG-OXJNMPFZSA-N 441.598 1.829 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286789345 RAUOFCKEXZJBQI-UHFFFAOYSA-N 443.515 1.159 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]3C[C@H]2CO3)nnc1[C@]1(OC(C)C)CCOC1 1286824740 HREBXVKAHRYFIV-ZWOKBUDYSA-N 440.566 1.287 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1=O 1287751343 FUSAWUSOHXBGHB-JOCHJYFZSA-N 440.573 1.989 30 10 IDEE CC(C)CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1287854061 WJERPFAACDOCRW-HOTGVXAUSA-N 427.596 1.688 30 10 IDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cn1C 1288146039 UWOZOMCOAZRRAQ-LJQANCHMSA-N 427.530 1.285 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC4(CCOCC4)CO3)C2=O)cc1 1288407626 HUWRPSQXDATSDE-RBUKOAKNSA-N 440.500 1.855 30 10 IDEE C[C@H]1CCCCN1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1291096311 BPWRJZXVGFOIEJ-OALUTQOASA-N 429.569 1.897 30 10 IDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1291664495 DDDWNJSXYWIWRI-CRAIPNDOSA-N 432.550 1.790 30 10 IDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1291802329 BGLQJXLVJDEBCP-JKSUJKDBSA-N 436.524 1.821 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)s1 1294915797 LVQWHWBAQNQUGC-LSDHHAIUSA-N 432.589 1.323 30 10 IDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1300469938 DGLQYYJFBHEGPK-DQRAZIAOSA-N 429.484 1.946 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300490087 ZDDKMMFPTACACN-MRXNPFEDSA-N 445.936 1.402 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCCO2 1300649058 KEHKQXNSFATVPN-UHFFFAOYSA-N 425.489 1.420 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1300672042 UFPOLSCIXVWRHR-QZTJIDSGSA-N 430.530 1.270 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCCNC(C)=O)CC1 1300684932 CQUXDFVPWDTPKN-UHFFFAOYSA-N 445.365 1.989 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1300715739 CIAHBNRABYBDIH-JOCHJYFZSA-N 436.560 1.626 30 10 IDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1300754913 YIYLELBMCCWNOY-LJQANCHMSA-N 425.606 1.923 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300888161 IKWFXRIROUHPSU-DENIHFKCSA-N 430.597 1.956 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(CO)c1 1300915841 QZNDDOPJMHGNBE-IBGZPJMESA-N 449.577 1.554 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300996683 IRALYBVELXGGKX-QGZVFWFLSA-N 431.541 1.034 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N2CCOCC2)C1 1301543692 OTACKXOCFICFFQ-TXTKFYIRSA-N 449.596 1.821 30 10 IDEE COCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1302141888 WUOAOXQHEYGXJZ-NRFANRHFSA-N 443.483 1.311 30 10 IDEE CC(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1303081022 MLJJEJAIOPKLBQ-GOSISDBHSA-N 443.577 1.820 30 10 IDEE COc1ccccc1CC(=O)N1CCC(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318500477 HTRHLPWKMPOQMU-FCQUAONHSA-N 440.500 1.261 30 10 IDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)nn1 1354751559 GRMDGWRDZCLVFN-UHFFFAOYSA-N 440.529 1.858 30 10 IDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1358930264 QZSUBVKSFBCWGH-IRXDYDNUSA-N 446.552 1.702 30 10 IDEE C#CCN(c1nnc(C)n1C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358956569 HSXKYWIQNYDLJJ-WMZOPIPTSA-N 442.463 1.663 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1358970436 OFWQTFNRYKQMFW-QFIPXVFZSA-N 442.541 1.455 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1359034262 JVYGOAQNUZFIQF-KDURUIRLSA-N 440.596 1.322 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccs2)CC1 1359179025 JVQQJRPALNIOAZ-OAHLLOKOSA-N 438.579 1.518 30 10 IDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359182336 BZRDBBOVKVJMEV-SFHVURJKSA-N 444.580 1.944 30 10 IDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359225480 AFYXBAGVEJWOMI-KRWDZBQOSA-N 434.566 1.711 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1359230560 YGFXISKJJOXBTN-UHFFFAOYSA-N 447.561 1.709 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOC(C)(C)C 1360240445 IPMXJGOGYWGIJD-UHFFFAOYSA-N 440.552 1.825 30 10 IDEE Cc1nnsc1Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1360958711 SCHOLVGLYKCFGU-LBPRGKRZSA-N 449.338 1.983 30 10 IDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1442914587 AJTSCNIUVCQKQX-LJQANCHMSA-N 431.512 1.897 30 10 IDEE Cc1ccc(C(=O)NCCc2nnc(-c3ccccc3)n2C)cc1S(=O)(=O)NCC#N 1447523071 KORIMHHHDZFNQW-UHFFFAOYSA-N 438.513 1.565 30 10 IDEE C=CCn1c(SCC(=O)N2CCOC[C@@H]2CC(N)=O)nnc1-c1ccc(Cl)cc1 1451661506 ZVEGQVWKNSOSBU-HNNXBMFYSA-N 435.937 1.979 30 10 IDEE N#Cc1ccc([C@H](O)C(=O)N2CCC(n3nncc3I)CC2)cc1 1453430162 NBAPOCWMCUYNQA-HNNXBMFYSA-N 437.241 1.651 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 1455116321 XQNFBKWCQUOVAZ-UHFFFAOYSA-N 436.386 1.838 30 10 IDEE CC(C)[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)C(=O)N(C)Cc1nnc2n1CCC2 1460050389 MHUSMAHPLFWWDV-NRFANRHFSA-N 448.527 1.097 30 10 IDEE C#C[C@H]1CC[C@H](NC(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)CC1 1462570092 JNTBUELICGRKPY-WKILWMFISA-N 447.536 1.009 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 1468737927 ILWNGKIHLVLCLP-KBPBESRZSA-N 447.542 1.055 30 10 IDEE C#CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CSC1 1469995931 JUUUACNWPBEWEN-UHFFFAOYSA-N 449.554 1.346 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)OC)cc1 1472208164 LXKRNNZZLRSLBN-IBGZPJMESA-N 430.482 1.900 30 10 IDEE CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850720 RMBNFLKMLTVVNL-QHRIQVFBSA-N 439.559 1.684 30 10 IDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504694101 PORLZFWIGGDMLU-UDJKBAMHSA-N 426.477 1.846 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1504888435 QWBGVVIMYGZOIC-IAGOWNOFSA-N 447.565 1.006 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1504999035 MFBBDQRSZFYQAT-JKSUJKDBSA-N 441.554 1.088 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(OC(F)F)c1 1505002160 WQRDXQVNMLNRQN-ZFWWWQNUSA-N 438.435 1.776 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507517072 FUDMNIPLPUCVRI-UWJYYQICSA-N 428.558 1.756 30 10 IDEE C#CCN(c1nnc(C(C)(C)C)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507622165 GQRSDSPMXOTNIR-SFHVURJKSA-N 449.621 1.993 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCS(C)(=O)=O 1507681541 XANFQJMJYPLIDD-UHFFFAOYSA-N 444.355 1.556 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1507744670 UVEVBNNECVSNNR-UHFFFAOYSA-N 441.517 1.371 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](COC)C1 1508071730 LORVIRNKFGPOPW-INIZCTEOSA-N 446.939 1.636 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1508072089 DXIWPDNGMAUVSL-IBGZPJMESA-N 425.537 1.052 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCOC[C@@H]2C1 1508075141 VEWOYQNTASZDEN-HNNXBMFYSA-N 434.903 1.561 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)Cc1ccccc1OC 1508089445 XHJWBFAYGWEACW-NVXWUHKLSA-N 426.521 1.607 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H]2COCCO2)C1 1508118017 VTKXTWNWWPAUPE-WOIUINJBSA-N 436.553 1.906 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1508162645 RKLSHZRWCHHCMJ-INIZCTEOSA-N 443.639 1.952 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@@H](C)O1 1518920072 ZNRWPLHOAPWSAU-AHRSYUTCSA-N 427.505 1.862 30 10 IDEE C#CCN(C(=O)C1(OC)CS(=O)(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1529627061 JUSUKJCWLIMJGC-CQSZACIVSA-N 428.304 1.548 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539210495 CEIBMQZMVLPRID-LNLFQRSKSA-N 448.545 1.525 30 10 IDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)C 1539257816 OFIGJLTUTTUUKS-UHFFFAOYSA-N 441.561 1.083 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1539483427 YYNQVZWSHKUWOY-KOSHJBKYSA-N 436.560 1.781 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1539626555 FHNOZPSDCXWLJD-QKLQHJQFSA-N 430.553 1.563 30 10 IDEE N#Cc1ccccc1C(F)(F)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1540833061 GIAPBNHGSDAGLM-UHFFFAOYSA-N 449.483 1.313 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OC)C1 1540892757 QYBXQBCZEKTDRR-SJORKVTESA-N 433.534 1.413 30 10 IDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1541158501 BULLTFVQDQOTPT-QGZVFWFLSA-N 443.577 1.604 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cn3ccnn3)CC2)cc1 1543122700 YFMQRCYDKRKQPF-UHFFFAOYSA-N 436.497 1.345 30 10 IDEE N#Cc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1545026054 RMAGRTLYKOJOCH-UHFFFAOYSA-N 429.458 1.094 30 10 IDEE COCc1nc2n(n1)C[C@@H](NC(=O)C1CN(c3ccc(Br)cc3C#N)C1)CC2 1545494055 VGGHPGBDZUGCAM-HNNXBMFYSA-N 445.321 1.626 30 10 IDEE C#CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1)C(=O)OC 1556971074 PYHROULUPLGTDD-MRXNPFEDSA-N 432.523 1.790 30 10 IDEE C[C@H](CC(=O)N(C)CC(=O)NCCC1=CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1558509855 JASCVBVQKIKCQY-MRXNPFEDSA-N 446.573 1.969 30 10 IDEE C=CC[S@@](=O)(=NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccccc1 1558718268 CEYKTPODPQYWJK-JJCDCTGGSA-N 431.489 1.968 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 1559945913 GOCFEXDORHUMAW-MQSCRBSSSA-N 444.551 1.834 30 10 IDEE COC(=O)C(C)(C)c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1561611414 AARDEEIRPVUZGN-UHFFFAOYSA-N 428.514 1.915 30 10 IDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1567570470 XHCDRACFVPAEEU-HNNXBMFYSA-N 441.554 1.492 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1COC(=O)N(CC)CC)c1cc[nH]n1 1568707568 KQSAZNQYVORRCM-OAHLLOKOSA-N 437.497 1.553 30 10 IDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1587524877 RLRIHQARILQIRT-KFWWJZLASA-N 425.482 1.527 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1OCC 1587988994 DUDBMQMOVBGOPB-LJQANCHMSA-N 447.561 1.436 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1588045087 GUJVZUVVKHBJCI-KRWDZBQOSA-N 442.520 1.976 30 10 IDEE C#CCN(CC)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1588432543 BCHZVNYSFFEKMH-UHFFFAOYSA-N 425.624 1.849 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1588574362 FZQNKCPXAMGLQD-DLBZAZTESA-N 440.614 1.095 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C)n2)CC1 1588884820 NXOZWQAHUGQVSJ-UHFFFAOYSA-N 449.559 1.426 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 1589216574 RTXVXUGFOPWDMG-YLJYHZDGSA-N 448.524 1.186 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1589571612 ZNLKHKMJICEYQP-DNVCBOLYSA-N 444.561 1.577 30 10 IDEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1594546216 XLEAMJMFXPIPNX-ZWKOTPCHSA-N 429.546 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1595760498 OCHGLWQBRATJKF-KRWDZBQOSA-N 439.607 1.759 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1595844873 IYOXSWNESBHEKB-GOEBONIOSA-N 441.579 1.978 30 10 IDEE Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612595745 BZHJZJHBIPBVRU-VVLLMFOMSA-N 427.431 1.186 30 10 IDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCC(F)F 1612657105 AUFXWAFBKJIJOL-AWEZNQCLSA-N 434.447 1.677 30 10 IDEE CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1612826978 FMZIYNREYJPGID-HTXNQAPBSA-N 427.509 1.277 30 10 IDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C[C@H](O)CC3(C#N)CCC3)CC2)cc1 1618299532 CUXGPRSXJDYLOF-QGZVFWFLSA-N 425.576 1.912 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccncc2Cl)CCO1 1618692220 BCYCHVQTNLRJRO-GOSISDBHSA-N 437.891 1.865 30 10 IDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCOC3)n2CCSCCCO)CC1 1620352070 NJNKSJBRASLAIH-SFHVURJKSA-N 443.577 1.491 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 1625641135 NVURNWPGGWOKDZ-KRWDZBQOSA-N 426.477 1.629 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 1627689209 ZRESJTZEWODSPH-JOCHJYFZSA-N 439.493 1.468 30 10 IDEE COC(=O)[C@H](CCC(=O)NCC1CCN(CC#N)CC1)NC(=O)OCc1ccccc1 1629081802 DTADKQFWUDDCJS-IBGZPJMESA-N 430.505 1.586 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NN2Cc3ccc(Br)cc3C2=O)c1 1629682727 HJMNTXKTZIPFBA-UHFFFAOYSA-N 448.298 1.661 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 1630244729 GGWRGBITOBNZSN-OAHLLOKOSA-N 438.912 1.554 30 10 IDEE Cn1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(-c2ccc(C#N)cc2)n1 1638375834 VBRGHJREPRSNPS-UHFFFAOYSA-N 425.470 1.966 30 10 IDEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 1638395083 MMYTWKSBTXMWLC-CVEARBPZSA-N 426.539 1.441 30 10 IDEE C#CC[C@@]1(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CCCN1C(=O)OC(C)(C)C 1639645333 MSYBVGOGSXMLMU-QHCPKHFHSA-N 448.564 1.812 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1645244264 HPRZAYHMWAIOAS-IRXDYDNUSA-N 438.550 1.415 30 10 IDEE C#CCOc1cccc(Cl)c1CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1651823151 OIRPOAISULINGO-CALCHBBNSA-N 441.981 1.824 30 10 IDEE C#CCN(Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1663860243 NDTRRNOURKVULM-IRXDYDNUSA-N 437.566 1.472 30 10 IDEE C#CCCCS(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1665706738 HGIWGDJKGMGSQL-OAGGEKHMSA-N 427.523 1.244 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1680909561 LYFHEBOKJVILEH-MRXNPFEDSA-N 445.582 1.787 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(N3CCCCC3=O)cc2)CC1 1682822967 QMGAEPKYONOZLD-QGZVFWFLSA-N 447.561 1.059 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1689842264 XGJMSZZCPOUZSV-ZBFHGGJFSA-N 440.504 1.799 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)N(C)C)CC1 1690120066 FFFQSUHRXFXIPG-UHFFFAOYSA-N 432.532 1.364 30 10 IDEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690316260 BJTQFVNOYBANKU-LJQANCHMSA-N 440.548 1.878 30 10 IDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1690669490 HCVQMFDYMFMYAO-KRWDZBQOSA-N 427.484 1.997 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCOC2(CCOCC2)C1 1690673060 MZFAXJVMCKNQDJ-UHFFFAOYSA-N 429.496 1.696 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690752815 RZRDWJGKNBFSLN-MRXNPFEDSA-N 429.612 1.814 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1694221892 BUYQXKJGPASSTA-QFBILLFUSA-N 437.504 1.762 30 10 IDEE CCO[C@]1(c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696055452 GBALBGJABNBMIE-NHCUHLMSSA-N 428.493 1.406 30 10 IDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1697712380 MFQRDLOVJDJESP-FUHWJXTLSA-N 428.468 1.554 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOCC1(C)C 1705602909 FIBAJONZSMVAEN-PMACEKPBSA-N 429.565 1.576 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2=CCCOC2)n1 1705632128 VYYZBPDSYLKRBH-HXUWFJFHSA-N 426.521 1.959 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705662881 OQNWGTVHFSPZQU-KRWDZBQOSA-N 439.545 1.103 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CCCC2=O)CC1 1705898187 DIPQQMLIKVFFEP-UHFFFAOYSA-N 443.939 1.887 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)NCCC)CC1 1705905743 FKHPGESVQJVZLX-UHFFFAOYSA-N 445.593 1.679 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C 1705932550 GLWPLICDZYITHE-AWEZNQCLSA-N 437.953 1.866 30 10 IDEE C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1706735532 GPOHQUAKZIQGGA-MHCREENLSA-N 439.476 1.546 30 10 IDEE CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1708326209 WKAWFSLEYIFFJT-GCJKJVERSA-N 425.537 1.926 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1712702417 QNFNOXWQIBKRIP-LJQANCHMSA-N 432.481 1.320 30 10 IDEE C#CCSCCn1c(N2CCc3c(ccnc3O)C2)nnc1[C@@]1(OCC)CCOC1 1722463718 LDSBZJGMJWOAEE-OAQYLSRUSA-N 429.546 1.960 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1722466599 ALTXRTIJGQSMJF-YCRPNKLZSA-N 447.561 1.946 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1722482558 BKWHLCFBVICGDD-GFCCVEGCSA-N 432.344 1.151 30 10 IDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1722654797 VTFOFGIZCRPWGY-WMZHIEFXSA-N 440.548 1.497 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1722674316 QAPXHXWSBDPNLA-OAHLLOKOSA-N 427.509 1.479 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1722696986 GESWYSWXMUOVNJ-UHFFFAOYSA-N 442.545 1.742 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1722725876 SKUVGAJRLMMKDP-ZBFHGGJFSA-N 425.555 1.021 30 10 IDEE CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1723076371 NXEJXKAFQZHAIG-KRWDZBQOSA-N 436.582 1.473 30 10 IDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1723236308 HOOCOIIULCGYOK-FUFIUMIBSA-N 430.509 1.170 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOC(C)(C)C 1723612477 KXWNPEFZOLGYCC-UHFFFAOYSA-N 440.552 1.825 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1723933958 VNIIBMYOSYNZPG-GOEBONIOSA-N 448.549 1.654 30 10 IDEE CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1729825998 GPBAABBDEYZGQM-SFHVURJKSA-N 437.548 1.743 30 10 IDEE COc1ccc(COCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1730177015 YXVQARZQIYDVGR-RTBURBONSA-N 440.504 1.573 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740597494 PWIYEWSQKKOFPO-KRWDZBQOSA-N 447.561 1.749 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1740653669 UBXWPVAVXSUADO-MRXNPFEDSA-N 435.475 1.523 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N1CCOCC1 1740685511 HPFUMGVTQVWMGH-KRWDZBQOSA-N 433.503 1.954 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740759236 BEHZYZOHYKCCTI-XSYGEPLQSA-N 444.580 1.951 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1740865924 WKUNRWHYNCPIAU-KRWDZBQOSA-N 435.554 1.394 30 10 IDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)Cc1ccon1 1740895703 QRTBGLIERAZTRG-UHFFFAOYSA-N 446.489 1.404 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740956326 OUMWXSSLSBFKAW-ZDUSSCGKSA-N 447.337 1.677 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)C1 1740972268 GAYBUXMVURYYKQ-MCIONIFRSA-N 435.497 1.094 30 10 IDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1741886650 SGJRJIMPCCUXOC-WMLDXEAASA-N 444.561 1.601 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1742914618 QBFXCWQWMRJHCW-OAHLLOKOSA-N 431.456 1.909 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1747597486 ZIQDFCOYWRVQJP-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1748690220 OWFRNXPNKBAELB-DUQZYUJVSA-N 430.553 1.985 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCS(=O)(=O)CC 1748745135 LSAVYVULZIRGCS-UHFFFAOYSA-N 442.545 1.476 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1748890741 VLEZQIBSHWLQNE-GOSISDBHSA-N 446.533 1.090 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1748891671 CUAFDIBRGDASFE-QGZVFWFLSA-N 430.505 1.839 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1748984737 YYIORNCSUJDFDD-UHFFFAOYSA-N 428.562 1.453 30 10 IDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1749259006 ILEVNTOMNOQXJM-UHFFFAOYSA-N 426.521 1.711 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749756247 VJLZIHJPJPIBBE-LSDHHAIUSA-N 448.636 1.113 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1751284531 IEXAOIPIBPSQQI-SJLPKXTDSA-N 435.532 1.823 30 10 IDEE Cc1cccc(C)c1NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1751596329 AGCGPPXMMMASSP-QGZVFWFLSA-N 437.504 1.498 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1760144755 ANMISFNIZBENGJ-MRXNPFEDSA-N 436.582 1.283 30 10 IDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCO[C@@H]1CCOC1 1760176050 YHFXWDCLTKSPCZ-LJQANCHMSA-N 425.537 1.717 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1760193806 REKMDRGUQYTMBP-UHFFFAOYSA-N 437.504 1.865 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCN2C 1760250824 MSQIBSFAQJGRLO-UHFFFAOYSA-N 436.560 1.917 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOCC)CC1 1760335836 RGDWAWAGQFJSSR-QUCCMNQESA-N 429.569 1.818 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760360527 FNGLQBNTBCYGBO-GOSISDBHSA-N 441.598 1.973 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC[C@@H]2OC)C1 1760536129 CZKBBBPNCJSJLP-IWQHBPENSA-N 436.553 1.763 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1760553577 FMCGGXAZBULPHO-OAHLLOKOSA-N 449.581 1.585 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1760847543 WAEFHVIVAFHUBQ-UZLBHIALSA-N 436.582 1.473 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1766369054 IBNTZTRTTCZZOE-UHFFFAOYSA-N 448.531 1.914 30 10 IDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1767733506 KWKOJUMRQCSPSX-UHFFFAOYSA-N 426.521 1.568 30 10 IDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1768212207 OJBFXKCVQWIERQ-RHSMWYFYSA-N 430.534 1.355 30 10 IDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1769698305 KPLGJIAXBAOSQG-IBGZPJMESA-N 426.521 1.784 30 10 IDEE COCCCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1769707238 DZVIQYLNDPLTJG-APWZRJJASA-N 447.561 1.882 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1770317738 PSYBXHKMOLAXDF-UHFFFAOYSA-N 449.602 1.946 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(NC(C)=O)cc1 1771223371 VRVILIPAMRGEHM-HNAYVOBHSA-N 428.493 1.738 30 10 IDEE N#CC1CCN(C(=O)C2CCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)CC1 1849842332 RWYQZTAZWWFVBG-UHFFFAOYSA-N 436.509 1.105 30 10 IDEE C[C@H]1Oc2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)ccc2N(C)C1=O 1851938689 VEMAPOWJLKAPLZ-MRXNPFEDSA-N 435.484 1.676 30 10 IDEE CC(C)CC(=NOCCCN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853460664 MWKZRFRXUIMESY-UHFFFAOYSA-N 438.550 1.558 30 10 IDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)[C@H]2C)c1 1854695312 ZKRRWYYQTTZMJW-OAHLLOKOSA-N 427.482 1.937 30 10 IDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1854770485 OWGZRWBHLDXUGC-NSHDSACASA-N 436.852 1.808 30 10 IDEE C[C@H]1C(=O)N(C(=O)C2CC3(CCOCC3)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855739949 JUMFWSZCCDTPIR-HNNXBMFYSA-N 431.514 1.513 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CCc3ccc(F)cc3F)C(=O)O2)CC1 1856886556 SMVXJVSPGVXUGD-KRWDZBQOSA-N 441.456 1.810 30 10 IDEE CS(=O)(=O)C1CCN([C@@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1857198063 ARIVFLWSLBBCEN-HXUWFJFHSA-N 431.558 1.908 30 10 IDEE C[C@@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCS1(=O)=O 1857339416 LRRSLQCKMMEYKD-XLIONFOSSA-N 431.558 1.765 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)CCCC)CC2)nc1C 1858630383 CDHWXOYHIXVWNT-UHFFFAOYSA-N 444.579 1.480 30 10 IDEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 1870151326 SOXUVVMXXWLFDV-CQSZACIVSA-N 446.423 1.837 30 10 IDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCC[C@@H](C)C2)cc1=O 1870561406 LROQNYULAZMBRB-GOSISDBHSA-N 443.569 1.982 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1Cc1ccco1 1870584234 UBTSTBBBDRHGBC-UHFFFAOYSA-N 427.501 1.901 30 10 IDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2c(C(=O)O)[nH]c3ccc(Cl)cc23)c1=O 1873495572 VXINJTPGCUFLNH-FBCYGCLPSA-N 435.849 1.748 30 10 IDEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)cc1OCC 1874433862 BBJKNNOJASVVFH-UFFVCSGVSA-N 435.506 1.859 30 10 IDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)ccc1OC 1874435542 LYRIYNDEPYRZKY-UFFVCSGVSA-N 435.506 1.859 30 10 IDEE CN(Cc1ccccc1)C[C@@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)O 1914796095 XTOPOBDEKKNHRX-FGZHOGPDSA-N 435.528 1.991 30 10 IDEE C=C(Br)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2015030353 DMVUAAFEXZHJDV-QWRGUYRKSA-N 427.317 1.667 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2060639237 FUICUCSFZHPWPB-YEJXKQKISA-N 430.314 1.971 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2131402500 GSGMKNFQENMBEG-DZGCQCFKSA-N 448.329 1.644 30 10 IDEE N#CC1CN(S(=O)(=O)NC2CC3(C2)[C@H](NC(=O)OCc2ccccc2)C3(F)F)C1 2142144182 FZHQMQSTLMGSSQ-CKDBGZEDSA-N 426.445 1.369 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2247907360 AUTJLWMGUDTSFN-GFCCVEGCSA-N 441.359 1.400 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255594912 FYPBQHXCSCRYRP-NFAWXSAZSA-N 432.330 1.694 30 10 IDEE CCn1cc(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255656151 WXEYVIHHNRDSPB-UHFFFAOYSA-N 434.346 1.941 30 10 IDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2255695073 AQTHNQNYXVLZAA-KBPBESRZSA-N 429.326 1.976 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)n1 2255806625 IECVRDRLGAEXHN-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE Cc1c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255823067 RNOFTHSJONFVMM-ZIAGYGMSSA-N 434.346 1.813 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2255867113 YHBDBXLPYLGETB-IAGOWNOFSA-N 432.326 1.696 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267274493 BAVFJONACFUYHM-KGLIPLIRSA-N 447.345 1.196 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@@H]2COC[C@@H]12 2267284456 CRUIIVKUUFCKEE-RRFJBIMHSA-N 448.325 1.943 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267588188 ISZAPGBAXONBKJ-UHFFFAOYSA-N 447.341 1.483 30 10 IDEE Cc1c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593534 RWXHDUWMROOVIY-IBGZPJMESA-N 449.364 1.878 30 10 IDEE C=CC[C@@]1(CO)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2287691325 AMGBQQADPANDFK-YLJYHZDGSA-N 440.518 1.346 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2300304316 NEJQSIGNDOEHFC-STQMWFEESA-N 439.343 1.152 30 10 IDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc([N+](=O)[O-])cc1)n2C[C@H](O)c1ccccc1 2327754021 QSDAPHOPYWQFRU-INIZCTEOSA-N 449.427 1.923 30 10 IDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)C1CS(=O)(=O)C1 2349908258 KFSYLZOCXMOOHL-UHFFFAOYSA-N 430.173 1.977 30 10 IDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1c(N)nnc1SCC#N 40173329 AHGVJSLHMVOFPC-GFCCVEGCSA-N 435.535 1.460 30 10 IDEE N#CCCN1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 62040708 COOYHMWUJMEEGL-UHFFFAOYSA-N 440.953 1.925 30 10 IDEE COc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)ncn1 460941454 YQSIWSPWHQVARA-UHFFFAOYSA-N 427.408 1.887 30 10 IDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 474700117 ZVKLCTUUTHCRAE-KBXCAEBGSA-N 449.305 1.746 30 10 IDEE CS(=O)(=O)N1CCC(CS(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)CC1 480872580 OEOBIJFBDQLDIV-UHFFFAOYSA-N 437.547 1.039 30 10 IDEE CCn1nccc1CN(CCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 482912696 AFCUUPUCPYEEGR-NRFANRHFSA-N 428.512 1.245 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC[C@H]1CS(N)(=O)=O)CCCC2 495057969 HKVKCZKAHVJESJ-HOTGVXAUSA-N 449.577 1.109 30 10 IDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 500895374 UWVFZKGVBPQKEK-DAWZGUTISA-N 435.550 1.709 30 10 IDEE Cn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508164459 ANVZMMXIDFTWQN-UHFFFAOYSA-N 428.543 1.850 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C[C@@H]1CCCO1 514475530 ZPZHSBUXVKYGQK-SFHVURJKSA-N 441.553 1.517 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 518215898 BCUOSQYYLAVKGJ-HNNXBMFYSA-N 445.610 1.988 30 10 IDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)nc1 521107665 CLDBYMNIFALHTF-GOSISDBHSA-N 426.498 1.690 30 10 IDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCN1CCOCC1 523256467 JHTJVSSDRURQTP-SFHVURJKSA-N 439.581 1.669 30 10 IDEE CC(C)(C)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1O 541617233 BAXJYUAPEOVTHH-OALUTQOASA-N 448.589 1.120 30 10 IDEE N#CC1(CS(=O)(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCCC1 544725046 DFBAQZJMCUDFRO-UHFFFAOYSA-N 425.576 1.984 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCO2)CC1 549479344 LKRIJTULKUSWQO-OXJNMPFZSA-N 442.495 1.882 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccc(F)cc3)c2=O)o1 603786365 LAWCYWKOBJAWCP-UHFFFAOYSA-N 439.468 1.301 30 10 IDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 609920314 FUXLCORYHKPANW-UHFFFAOYSA-N 427.549 1.661 30 10 IDEE CCN1C(=O)CCc2cc(NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)ccc21 612718148 YFYLMDFCRCTBGT-UHFFFAOYSA-N 446.511 1.976 30 10 IDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1ccccc1Br 619436232 HOBSECQBYTWGNG-KSSFIOAISA-N 449.305 1.746 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3ccoc3)c2=O)cn1 727417128 FJTMZUYSGWBJQB-UHFFFAOYSA-N 436.493 1.457 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@@H](C)c1cccs1 730144512 OJIIWPATKWCZAG-PDXWTLFMSA-N 439.607 1.313 30 10 IDEE COc1ccc(COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)cc1C#N 746954872 UIFSTWFTEGJSGN-KPZWWZAWSA-N 438.889 1.991 30 10 IDEE COc1cc(OC)cc(N2C[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)c1 752184577 KMDOPTNBRUSOJT-OAHLLOKOSA-N 443.481 1.742 30 10 IDEE CN1C(=O)C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(Cl)c(F)c1 755061007 VUGGPVPEEUXMBH-CJGIQCGSSA-N 449.870 1.577 30 10 IDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1C 760400684 MXGFXOKHCXTIEF-UHFFFAOYSA-N 441.575 1.844 30 10 IDEE N#CC(C#N)=c1sc(=Cc2c(Cl)oc3ccccc23)c(=O)n1CCN1CCOCC1 761279997 GMTAYZSZAWITCQ-UHFFFAOYSA-N 440.912 1.668 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnc(N(C)C)nc1 781026991 BQIFXEARVLNVRD-QGZVFWFLSA-N 444.561 1.654 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)cc1 782701934 XSFFZYITNHPQLN-HNNXBMFYSA-N 430.482 1.843 30 10 IDEE Cc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1C(=O)N1CCOCC1 786122027 YBVGVYIHUBSDAB-VHEBQXMUSA-N 427.461 1.115 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](COc2ccccc2)C1 791151601 HEHKNBXYUDGJOC-GOSISDBHSA-N 443.525 1.812 30 10 IDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(CC#N)c1 795079546 BYAFVLKVOPZAFD-UHFFFAOYSA-N 436.534 1.452 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812431501 KAQJIEFGMSNYEQ-ROUUACIJSA-N 429.521 1.696 30 10 IDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 919115593 NRVDBUXEDFPZEE-JTQLQIEISA-N 432.296 1.261 30 10 IDEE CCc1nnc(CN(CC)C(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)o1 1084437750 OMVMXQCTSCPWLV-UHFFFAOYSA-N 445.509 1.230 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@H]2COC(=O)N2)CC1 1157735174 BEALZRMZIYRRGQ-DLBZAZTESA-N 448.545 1.631 30 10 IDEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 1159595750 NQWVDANYFWPBCY-RBUKOAKNSA-N 443.529 1.862 30 10 IDEE Cc1ccc([C@H](Cn2ccnc2)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)c1 1224681658 LWVIVUGQXDURSI-CUWPLCDZSA-N 427.530 1.821 30 10 IDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1253134143 OEJSIMZOZGEDGV-UHFFFAOYSA-N 431.536 1.143 30 10 IDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1 1264841387 LZMUHNRFMVWUFN-GOSISDBHSA-N 427.501 1.327 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286386838 IFUPEYMFINZHLM-VWKPWSFCSA-N 448.520 1.251 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1286387180 BEOXGVVMNTXSSZ-AZUAARDMSA-N 439.541 1.870 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1286423836 WYWIHYVBPABGSZ-RXVVDRJESA-N 434.562 1.360 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(N)=O)cc2)CC1 1286486222 DFKNBOIYJLGQAK-UHFFFAOYSA-N 446.511 1.960 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286490261 PDQAEYJJQQXISD-INIZCTEOSA-N 433.463 1.069 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccn(CC)c2=O)CC1 1286490587 YTCUTKPYGYJKNS-UHFFFAOYSA-N 447.543 1.479 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)CC1 1286561233 ANAKSMRMMBASPO-TZIWHRDSSA-N 427.553 1.789 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)[C@H]2CC)cc1 1286793814 MNGLIRSLTXLXMQ-GOSISDBHSA-N 426.521 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCCO1 1286816121 FRXIMRKWSYHKLB-QGZVFWFLSA-N 448.545 1.932 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1286817494 ULLRRXXTDQVZBI-UHFFFAOYSA-N 444.561 1.532 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2ccco2)CCOC1 1288304228 CFYHHIOGGSOTPZ-RTWAWAEBSA-N 446.483 1.784 30 10 IDEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1292357942 XIPBQZLRPZTDHB-JTSKRJEESA-N 437.504 1.810 30 10 IDEE CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1297122966 UENLVRMVQJUSNI-GOSISDBHSA-N 449.916 1.781 30 10 IDEE CNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298942663 GKCBRJDJFHVGRY-QGZVFWFLSA-N 427.578 1.879 30 10 IDEE C#CCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1300424345 DVCYPIAZRNNRDV-HSZRJFAPSA-N 431.581 1.892 30 10 IDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300482049 CZOUTUBLOHLPLY-ZJPYXAASSA-N 440.566 1.054 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)c1cc[nH]n1 1300564068 SJLPGRMKJDRTLW-UHFFFAOYSA-N 432.444 1.469 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1300718755 WKYJPRHRELPMFN-UHFFFAOYSA-N 449.559 1.361 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O 1300886349 XFQXTOBZSFGDDN-VYDXJSESSA-N 425.555 1.081 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1300889010 OQBWADBXGNBZNR-DSKINZAPSA-N 443.523 1.940 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(=O)NC)C1 1300891598 LWYXKKJSEQAKNW-HBFSDRIKSA-N 426.521 1.196 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300893134 XUHYIRXQHGSHDF-SQGPQFPESA-N 446.552 1.659 30 10 IDEE C=CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301141463 OACJORKOGRTEIF-SFHVURJKSA-N 433.516 1.566 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC3(CNC(=O)OC(C)(C)C)COC3)ccc2c1=O 1301161789 OOFJMQOIOKGMJM-UHFFFAOYSA-N 446.529 1.895 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1301298154 ZLKIBBMGIUWDTD-JCYILVPMSA-N 427.571 1.438 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)C1 1302983306 WXWCMCFGTDTROD-LAUBAEHRSA-N 433.532 1.079 30 10 IDEE N#Cc1cccc([C@H]2CN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CCO2)c1 1313316464 YARVTIAQTRUQKW-OAHLLOKOSA-N 437.378 1.666 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)C)C1 1315072301 NLNZXMUBXRENJX-KRWDZBQOSA-N 432.550 1.760 30 10 IDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315094329 CUBCDMINKQHUCD-MXLIYFDZSA-N 436.472 1.471 30 10 IDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1315163899 CCCVMIOVMOCHCG-HRAATJIYSA-N 445.545 1.779 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1316104272 UZHMSKYXKJXJHZ-IYBDPMFKSA-N 449.556 1.503 30 10 IDEE COCCn1cc(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)cn1 1316114467 DYNKEPMIUXOQPG-QGZVFWFLSA-N 441.467 1.616 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1320055041 OIMMPAMTICEVEX-NRFANRHFSA-N 439.509 1.871 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCOCCCO)c1 1322730866 HRSLPIFRWOJQEL-PYCFMQQDSA-N 426.539 1.800 30 10 IDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1358892512 AWEUIUZITVMITD-AVRDEDQJSA-N 426.590 1.930 30 10 IDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCOCC1 1359007850 YKSDMZIKDKPTKE-UHFFFAOYSA-N 435.488 1.302 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2Cc2ccc(C)n(C)c2=O)n1 1359027748 UWWFMANPXCQSAU-UHFFFAOYSA-N 437.548 1.940 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC(C)C)CC1 1359032497 QMPUTWINCAHBRG-UHFFFAOYSA-N 435.536 1.491 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1359105433 OPEKMRSHPDBYRC-MSOLQXFVSA-N 446.596 1.730 30 10 IDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359137024 BRZDNWXEJHCCDJ-NMLBUPMWSA-N 436.553 1.979 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359157574 NPHFCIZYXWYCDN-OAHLLOKOSA-N 435.916 1.939 30 10 IDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359245675 YZHMAHJVSFNDNP-IRXDYDNUSA-N 446.552 1.879 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1359281654 GSDVIXUXLQWTBS-LLVKDONJSA-N 443.314 1.807 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C)C1 1359327632 GYMODKIEOUAQJS-HNNXBMFYSA-N 436.534 1.788 30 10 IDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC)C(=O)C1 1359341523 ZPBWXOJAHUNTFG-UHFFFAOYSA-N 432.550 1.984 30 10 IDEE CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1359460937 GTTUDHSMFDRYQQ-UHFFFAOYSA-N 435.532 1.967 30 10 IDEE CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1359603832 FALQUKNXWJKYJF-KRWDZBQOSA-N 444.561 1.149 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC)c1ccc2ccccc2c1)c1cc[nH]n1 1446632440 NDSFRFCDLHZKOG-LJQANCHMSA-N 438.440 1.877 30 10 IDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1468452026 FQSPAZBIDZTVJJ-MRXNPFEDSA-N 425.413 1.876 30 10 IDEE Cc1ccc(C(=O)N2C[C@H](C)N(CC(F)(F)F)[C@H](C)C2)cc1S(=O)(=O)NCC#N 1472252072 NBHACXQAEUFNAQ-OKILXGFUSA-N 432.468 1.894 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 1478233802 KGDPOPIDTDPQNA-HUUCEWRRSA-N 446.495 1.992 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C3CCOCC3)C3CC3)CC2)cc1 1478911449 FTYUPZXZMCHJML-FQEVSTJZSA-N 432.546 1.779 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCC[C@H]1OC 1503102465 GYKSNKUWALEONY-PKOBYXMFSA-N 442.568 1.870 30 10 IDEE COc1cccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1504340572 XVVSGEAIMIYLGU-XUTLUUPISA-N 438.488 1.707 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507539544 WOCGVNANCJIGDB-QKLQHJQFSA-N 439.516 1.743 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C(=O)NC 1507751242 LRZZHZQANOSNMN-YJBOKZPZSA-N 429.546 1.975 30 10 IDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccccc1 1507853947 HPOZXCQTZBRGEY-IRXDYDNUSA-N 446.577 1.694 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508079487 XLIFXILVVDLXRM-SFHVURJKSA-N 449.515 1.137 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508088360 RRWPYVOVZDRHIU-QGZVFWFLSA-N 425.537 1.692 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1508149445 VEDLEHFAINEIEU-OXQOHEQNSA-N 442.582 1.535 30 10 IDEE Cc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)sc1C 1510419035 DSGWVAFGYNPVRT-CABCVRRESA-N 436.563 1.225 30 10 IDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1512645634 RBUWQCVBQHOQBE-WZONZLPQSA-N 435.532 1.790 30 10 IDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1516587796 AOCGPIMBHQPKOR-KRWDZBQOSA-N 444.561 1.448 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CCO1 1518940722 HWSNDJTZZCMUHE-FQEVSTJZSA-N 426.521 1.676 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1528153758 ODDCLDHBBMYDBJ-GFCCVEGCSA-N 433.313 1.489 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(F)(F)n3cc(-c4ccccc4)nn3)CC2)c1C#N 1529120381 TWPBUTZXTUXZKK-UHFFFAOYSA-N 426.431 1.757 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1539211260 KHTZISQYXTXFJR-HNNXBMFYSA-N 433.509 1.236 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539217026 ZTBMEBHOPLEJHF-GOSISDBHSA-N 433.582 1.036 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1539370343 VRDSGUJDNVFNJG-IRXDYDNUSA-N 447.536 1.123 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1540186601 FMNVEIVISTYMTH-IIBYNOLFSA-N 447.561 1.487 30 10 IDEE Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1543332948 CDXWFJRGHXUFRU-UHFFFAOYSA-N 426.502 1.752 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1=O 1554353562 YQGCTIBZECBAEG-FQEVSTJZSA-N 430.534 1.166 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)n1 1556460952 JXJQUNOODIRITK-LJQANCHMSA-N 446.548 1.907 30 10 IDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(CCC#N)CC1 1557980618 HBSMZGIKMHGXQR-AWEZNQCLSA-N 428.352 1.917 30 10 IDEE COC(=O)c1ccc(F)c2c1CN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CC2 1584640451 LDROGMLDGCSULG-UHFFFAOYSA-N 445.472 1.921 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)CC1 1588199159 HZOBJRBJOPYBNL-UHFFFAOYSA-N 431.480 1.886 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1588385183 GAAVUHIWTUOQSZ-CVEARBPZSA-N 439.582 1.895 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1589651800 HIASNFPWASQPBL-KRWDZBQOSA-N 446.577 1.930 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595797971 KHGLOLJFTDMNEW-QKLQHJQFSA-N 440.566 1.157 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595844643 GEKWBYBBCAABNA-MPGHIAIKSA-N 445.611 1.192 30 10 IDEE CC(C)CO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1607715422 UMGLSICLBDLCHC-UAYHFDEJSA-N 444.536 1.907 30 10 IDEE Cc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1612040318 CYZPLURCSZFYDD-MEUCICPISA-N 426.477 1.988 30 10 IDEE COc1ccc(C(=O)N(C)Cc2cc(C#N)cs2)cc1S(=O)(=O)N1CCOCC1 1617852088 SCHHUEDVVYCUIA-UHFFFAOYSA-N 435.527 1.921 30 10 IDEE CO[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2C#N)CC1 1618946440 HRLIZDKMXVZCLK-SFHVURJKSA-N 435.536 1.768 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(CCO)(CCO)CC2)cc1 1622886628 MVFNTLSDFLTSGE-UHFFFAOYSA-N 425.551 1.872 30 10 IDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCN(S(C)(=O)=O)C1 1624836832 UHYHJLIVESECFK-KMFGOTIKSA-N 440.566 1.266 30 10 IDEE C#CCN(CC(=O)N1NC(=O)C[C@@]12CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1628865425 CQYQGCRNXMDMTK-OAQYLSRUSA-N 436.509 1.500 30 10 IDEE C[C@H](CC(=O)NC[C@H]1CC(=O)c2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 1635840185 BTHRUROQCABEGJ-ZIAGYGMSSA-N 427.482 1.654 30 10 IDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1636149180 PJTNUGVLNHMNOX-HNNXBMFYSA-N 436.472 1.245 30 10 IDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1636861422 YLBYBNCCCSPXRJ-GOSISDBHSA-N 429.498 1.783 30 10 IDEE Cc1nsc(N2CCN(C(=O)C3(CNC(=O)OC(C)(C)C)CC(O)C3)CC2)c1C#N 1636900166 AJZOYSPXVKTAHV-UHFFFAOYSA-N 435.550 1.638 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1 1639969005 QUJMYYOTDXSTRS-JPYJTQIMSA-N 430.501 1.952 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)ccc1F 1640584155 KMEMLBUIGNEWAE-MSOLQXFVSA-N 425.526 1.519 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3cnn(-c4ncccc4Cl)c3C(F)F)C2)c(=O)nc1O 1640636340 CDYCESAJNLZLCK-UHFFFAOYSA-N 447.789 1.689 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1 1640868327 QAVUAYUWBYIQDG-UHFFFAOYSA-N 446.529 1.842 30 10 IDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)c(=O)c1C#N 1641510629 FBUPHBYVWXDHNA-CYBMUJFWSA-N 439.310 1.443 30 10 IDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C2 1648316789 ZJLSAGIMUAJNEB-HYFFOGBASA-N 447.536 1.421 30 10 IDEE CNS(=O)(=O)c1ccc(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1651221292 VBXCAMBDDHTIOE-UHFFFAOYSA-N 445.497 1.431 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)c1 1653611564 JEOASZKQLPALDQ-QUCCMNQESA-N 439.560 1.629 30 10 IDEE COCCOCCOc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1Br 1655917511 KJAXNWUIGHBHPX-UHFFFAOYSA-N 439.266 1.493 30 10 IDEE COc1nc(N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)ncc1Br 1676392560 HUVWJOMVGUNZDB-UHFFFAOYSA-N 438.311 1.608 30 10 IDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 1682022329 YGJIWHLVUOPICP-ZVLZEYJHSA-N 440.500 1.459 30 10 IDEE C#CCN(C(=O)NCCn1cc(C(=O)OC)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1686446297 DBVZSTGNXPQMFM-UHFFFAOYSA-N 434.497 1.109 30 10 IDEE C#CCN(c1nnc(CC)n1Cc1ccn(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1689993237 YSCZJAYQKMBJIK-FQEVSTJZSA-N 438.557 1.760 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCSC1 1690104276 RNGBKHFNMIJIKO-WIYYLYMNSA-N 430.530 1.745 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690177575 ZMZXQAAUKCIHFQ-IBGZPJMESA-N 443.573 1.585 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690246175 RVGSSZJMUKNGNF-XSLAGTTESA-N 439.582 1.233 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1690246992 YMLCLSQBCKIKHN-NUJGCVRESA-N 432.550 1.588 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690669361 BKURAFIZSODGLT-UHFFFAOYSA-N 426.496 1.949 30 10 IDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1 1690683489 MCONSPHIFSUKBN-IAGOWNOFSA-N 445.545 1.105 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(OC)C1 1690714858 WPOMITNFRVWAMJ-UHFFFAOYSA-N 447.561 1.973 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1705567298 VXGIAWUQARZGOW-GDBMZVCRSA-N 445.574 1.566 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1705635053 PSGAICSTEBTAFA-PTUXOGIPSA-N 433.597 1.871 30 10 IDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCCN(C)C)CC1 1705777520 DPHSCJATODNOCY-UHFFFAOYSA-N 437.552 1.901 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1705828428 NLBABTAJYDLDDT-UHFFFAOYSA-N 429.569 1.820 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1705867991 ZAUNBKGAVOMAOK-PMACEKPBSA-N 441.580 1.941 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCNC(=O)CC1 1705898697 UNFSUBRWXPSFPU-UHFFFAOYSA-N 440.548 1.999 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705937465 UQGOGHDKRFWOIQ-SFHVURJKSA-N 446.577 1.360 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1706751204 HWMKLVIWJDMXJE-SOUVJXGZSA-N 429.529 1.964 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1708336925 FCDIFOKIDWZPDY-OSGQAZFXSA-N 426.587 1.815 30 10 IDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1711885016 IXULHXPPGWPRKS-DYESRHJHSA-N 426.477 1.073 30 10 IDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722329639 JGSZOQCYEBTMHF-UHFFFAOYSA-N 436.564 1.719 30 10 IDEE C#CCN(c1nnc(C(C)C)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1722357771 AGRJMKVQHGJHIS-APWZRJJASA-N 425.624 1.466 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722359778 AXYVHCLJPSTTAV-CQSZACIVSA-N 445.467 1.837 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1722363694 UXSOTKORTQDBFR-IBGZPJMESA-N 444.557 1.503 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1722374047 QGSWIYVIAQUZHR-QHCPKHFHSA-N 437.548 1.564 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1cccc(O)c1 1722412587 BNIZQUCVDDJEGV-QGZVFWFLSA-N 445.545 1.165 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722414796 CPKKBIWBZIYBLD-UHFFFAOYSA-N 443.529 1.128 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1722476330 QXPHQYPTADPOQK-SELNLUPBSA-N 428.581 1.892 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1722588688 XPDUJDJIUZFUMW-QZTJIDSGSA-N 439.626 1.939 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1722696704 CXZCUOHUFCKJLJ-UHFFFAOYSA-N 445.527 1.913 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2CC)C1 1722710443 IVYVTYISSAVFRR-OKZBNKHCSA-N 440.614 1.544 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722725813 SSWNNACOGXEZGC-KRWDZBQOSA-N 447.561 1.715 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CCNS(C)(=O)=O 1740603302 MUQAHOLYZGHXLH-UHFFFAOYSA-N 446.758 1.980 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COc2ccccc21 1740672232 ZMMFSKOTCXWYKG-APWZRJJASA-N 445.545 1.247 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCC1 1740953562 JZUSPVWBEVQERV-UHFFFAOYSA-N 446.577 1.734 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1740972666 KYCDWARJQCQXDF-SQGPQFPESA-N 440.566 1.146 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1741130443 LYTNACLMOGYEGA-HRCADAONSA-N 437.504 1.328 30 10 IDEE CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741487094 RBEIGZCUHFYGQA-QBEKEKFNSA-N 446.552 1.633 30 10 IDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1743349859 ZAKXBQHNFIVDJG-YJBOKZPZSA-N 429.550 1.039 30 10 IDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CCC1 1746492283 HWZLKGGFPVDCLF-UHFFFAOYSA-N 426.546 1.692 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OCC)CCOC1 1748764775 VPOATINVUARBMK-JOCHJYFZSA-N 427.505 1.899 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748838979 KPBNNLCDDYHFJR-OAQYLSRUSA-N 448.571 1.969 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC 1748858247 NMDVYSOJINFXFE-MSOLQXFVSA-N 431.537 1.942 30 10 IDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749112162 CRURMHUZRSTVES-HNNXBMFYSA-N 441.374 1.466 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1749132182 ZMYITNBWYSNQQN-KURKYZTESA-N 439.582 1.235 30 10 IDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749220319 FCBJMTLZIUCGLU-QGZVFWFLSA-N 425.493 1.406 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC2CC2)CC1 1749655688 PEKHPUVICVZKJC-UHFFFAOYSA-N 440.548 1.797 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749656045 YPUTWRJQVFESNK-GWTOYCKXSA-N 441.532 1.862 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749669565 ISJAAIHVURWGBK-IRXDYDNUSA-N 429.525 1.972 30 10 IDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCOCC2)C1 1749677850 MHLXRERJLSSIFW-UHFFFAOYSA-N 444.561 1.579 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(NC(C)=O)CC1 1749679752 ALDLZCSPOPZCRX-UHFFFAOYSA-N 442.520 1.273 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H](O)CC3(CCCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681847 JYTLXBSISGINAF-FDDCHVKYSA-N 447.580 1.752 30 10 IDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1760138253 VBTWSXMSTWROAB-QGZVFWFLSA-N 431.566 1.044 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1760202275 YPLYBGPRGGOOEK-UHFFFAOYSA-N 429.484 1.712 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760204394 OKTMRCWMNLAGJS-SFHVURJKSA-N 429.521 1.362 30 10 IDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1760252794 KGMZQLCWGSGYAU-VGSWGCGISA-N 425.489 1.355 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCn3ccnc32)CC1 1760257272 SJHSXVAGTRKKGF-RBUKOAKNSA-N 427.553 1.531 30 10 IDEE C#CCSCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 1760285060 WRMYFJCOGDJZEQ-UHFFFAOYSA-N 440.617 1.846 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCN1CCOC 1763496582 CNBVIJPTOTXXPC-FQEVSTJZSA-N 439.564 1.842 30 10 IDEE CC[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766747908 VGICAQHQMOAKEV-ZOKDDAQRSA-N 430.534 1.823 30 10 IDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1772555196 WTFHPDJRQDVXPT-QFIPXVFZSA-N 426.521 1.875 30 10 IDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)ON2C(=O)c3ccccc3C2=O)nn1 1772791811 GJGNVVKGRMRSFP-UHFFFAOYSA-N 429.433 1.951 30 10 IDEE CC1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1772846320 NMGQCOLHCVTIDR-ZPHPHTNESA-N 441.536 1.667 30 10 IDEE C=C1C[C@@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(C)=O)C[C@@]5(C)CN4[C@H]6[C@@]2(O)[C@@H](OC(C)=O)[C@H]1[C@@H](O)[C@@H]73 1848354649 OGNUSOJAYIHLNS-BRGGVWPPSA-N 429.513 1.021 30 10 IDEE N#Cc1c(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)nc2n1CCCC2 1852363269 CQRQGWGZTAUZFX-KRWDZBQOSA-N 427.530 1.371 30 10 IDEE COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854388215 LLROMSNORDFOGP-DLBZAZTESA-N 431.514 1.636 30 10 IDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)COc1ccc(F)cc1 1855997822 PJYQPXOOAZXTEX-UHFFFAOYSA-N 431.445 1.855 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc4ccccc4n3)C2)CC1 1857018916 MBEDMPWGRRVOFI-QGZVFWFLSA-N 426.498 1.789 30 10 IDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1 1859011303 XZUSAQNZFGAKCN-UHFFFAOYSA-N 432.454 1.989 30 10 IDEE Cc1cccc(C)c1OCC(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870160440 QVPANMGOGNZCAD-UHFFFAOYSA-N 430.424 1.999 30 10 IDEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870348520 BFMPACMHKLUCHN-UHFFFAOYSA-N 426.517 1.055 30 10 IDEE C=CCn1cc(OCC(=O)Nc2cc(C)cc(C)c2)c(=O)cc1CN(CCO)CCO 1870722023 RAPSMWBSYCITMO-UHFFFAOYSA-N 429.517 1.455 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C1(O)CN(C(=O)OC(C)(C)C)C1 1984993557 YSTLXPZZRKLFPF-LSDHHAIUSA-N 425.526 1.780 30 10 IDEE C#CCNC(=O)CCNC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2068347210 ZCEZPWIYLZGTMH-UHFFFAOYSA-N 442.560 1.802 30 10 IDEE C#CCNC(=O)CCNC(=O)c1cc(I)ccc1Br 2132089682 YNTQATUZWZOLIN-UHFFFAOYSA-N 435.059 1.923 30 10 IDEE Cc1ncc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cc1C#N 2174785840 CVJAXAJVHBMYRZ-MOPGFXCFSA-N 430.486 1.624 30 10 IDEE C#CCn1ncc(N[C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2190271043 ZCBXUKFXQAAWFR-GOSISDBHSA-N 441.326 1.813 30 10 IDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248404228 IZTBLKJCIUVESQ-GFCCVEGCSA-N 440.375 1.995 30 10 IDEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC=CC1 2248414084 DWQFMHAWWLAEJX-UHFFFAOYSA-N 436.343 1.811 30 10 IDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2255603888 BBYIYXWHWSNVQK-QWHCGFSZSA-N 435.334 1.100 30 10 IDEE C[C@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)C(F)(F)F 2255639028 QHROCHXVVHMKKB-JQWIXIFHSA-N 447.288 1.971 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 2255655328 KYDNXCVKSGJHGQ-UHFFFAOYSA-N 432.330 1.412 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@H]1OCc1ccccc1 2255747160 GFVAMPKDUIDPSE-HZPDHXFCSA-N 448.354 1.140 30 10 IDEE CC1(C)OB(c2cnccc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2255810901 GLXAXEPYYCYKEU-NWDGAFQWSA-N 425.216 1.368 30 10 IDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255822466 MEIPRWGHFNUOPJ-UHFFFAOYSA-N 434.346 1.849 30 10 IDEE Cc1cc(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2255825773 FNZASYWXCIXIMF-KBPBESRZSA-N 436.314 1.909 30 10 IDEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CNC(=O)OC(C)(C)C 2255829092 ZZKVKYHWJUCGNJ-UONOGXRCSA-N 434.346 1.942 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 2267217689 KLEUBTCKWUULFF-BFHYXJOUSA-N 447.345 1.242 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC[C@H]1CCCN1C(=O)OC(C)(C)C 2267263728 JVCPPLMNIHCZRW-CQSZACIVSA-N 449.361 1.634 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 2267265033 ZSHODFBTOMNOPB-CQSZACIVSA-N 449.361 1.634 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 2267268123 PWAUWRHYLICUAN-QHCPKHFHSA-N 439.369 1.756 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2267516591 GPFPIRYIAWGQQH-GJZGRUSLSA-N 448.373 1.918 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2267880299 ABOBRURWMPQUSX-JLCFBVMHSA-N 444.341 1.905 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 2337197584 YNBQKUOJGGVFKV-HUUCEWRRSA-N 446.357 1.562 30 10 IDEE CC(C)(C#C[C@H](N)[C@H](O)c1cc(Br)c(Br)o1)S(C)(=O)=O 2365208588 SQBPJRMDHZFCGX-WPRPVWTQSA-N 429.130 1.992 30 10 IDEE CCOC(=O)N1CCN(/C(=N/C(=S)NC[C@@H]2CCCO2)Nc2nc(C)cc(C)n2)CC1 14161558 ZGEFVWFPYINRNY-INIZCTEOSA-N 449.581 1.689 30 10 IDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 20914557 BHJKODVTRIKDFX-DNTJNYDQSA-N 427.446 1.603 30 10 IDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CCCOc2ccc(C#N)cc2OC)C1 110253814 OPWQXQLPRYGONX-SFHVURJKSA-N 445.516 1.986 30 10 IDEE CN1CCN(S(=O)(=O)N2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 427022370 IWTDJINQRVMDJK-UHFFFAOYSA-N 430.496 1.167 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3C)c2=O)o1 471200308 XRFOTUWOLAWMBC-UHFFFAOYSA-N 437.521 1.629 30 10 IDEE COc1ccc([C@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c2nccn2C)cc1 471845958 PQEXHUVCEBYACQ-FQEVSTJZSA-N 448.531 1.964 30 10 IDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)[C@H]4CCCOC4)n(C)c3=O)cc2s1 478857685 QAPGVRJVNKJZPJ-AWEZNQCLSA-N 425.535 1.864 30 10 IDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1 481075643 TWEBNFXKVGFDCH-UHFFFAOYSA-N 431.489 1.923 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)C2=O)cc1 504707399 KSMQICOMMNPRAF-VQTJNVASSA-N 445.479 1.853 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 508469476 FKGQIRWTSLUECL-IBGZPJMESA-N 426.517 1.109 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](c2ccccc2)C1 508496422 DKBKZRIRQVNRPH-ZWKOTPCHSA-N 433.534 1.375 30 10 IDEE C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508955372 FYFYIGACXGAFMM-UHFFFAOYSA-N 447.543 1.660 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C[C@@H]3CCCO3)c2=O)o1 514492297 MHSMNWGCABFGMC-KRWDZBQOSA-N 427.526 1.552 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1C[C@H]1CCCO1 514492311 NMHMCVXOYFHRTG-OAHLLOKOSA-N 431.945 1.771 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cc1F 532756049 NHSAVJYHKTWGGA-OAHLLOKOSA-N 442.512 1.966 30 10 IDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 539598654 QMSRZGNXMHIRIT-KRWDZBQOSA-N 441.553 1.919 30 10 IDEE CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543925334 RUMZTIOAICCCIC-OAHLLOKOSA-N 428.880 1.853 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)CC2)n1 544831572 HHHVVCVZMNOMCF-SFHVURJKSA-N 433.468 1.635 30 10 IDEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549688501 PHAPLEYKHOWUNC-UHFFFAOYSA-N 425.537 1.205 30 10 IDEE CN1C(=O)N[C@]2(CCN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)C2)C1=O 572129986 GASSAWDFQNLNNQ-QFIPXVFZSA-N 432.440 1.969 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2ccc(O)cc2)CC1 573490467 UDIZJEOBJGBFKY-LJQANCHMSA-N 447.561 1.887 30 10 IDEE Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc(C)n2)n1 585475173 LTPZVWZVWXDGRJ-UHFFFAOYSA-N 437.529 1.970 30 10 IDEE CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2C[C@H]1C 590763038 FMGVTQNJTTXVKY-OAHLLOKOSA-N 425.514 1.762 30 10 IDEE CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C 675082939 JWLGQMQPKBJMKR-JRNNXUHZSA-N 430.497 1.506 30 10 IDEE COc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)N2CCOCC2)cc1OC 732677022 QWHKEGDVBJENNA-PMACEKPBSA-N 443.548 1.459 30 10 IDEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 733618173 UETRIARBABOFCT-UHFFFAOYSA-N 435.424 1.793 30 10 IDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 743107656 ACKCDPMEJSWRDB-YCLYIZSXSA-N 433.534 1.630 30 10 IDEE O=C(NCC#CC(=O)N1CCO[C@@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757472665 ZESKIZLTZFTLQJ-OAQYLSRUSA-N 434.448 1.841 30 10 IDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)C1 770861793 YIMMONFSFNSUCL-JOCHJYFZSA-N 448.585 1.865 30 10 IDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)c2ncn(C)n2)c1 780311055 DHRCOFBVGQDJPR-DOTOQJQBSA-N 443.577 1.884 30 10 IDEE CSCCCn1c(=C(C#N)C#N)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781137238 RRCBSDCPLOIYQH-UHFFFAOYSA-N 436.566 1.887 30 10 IDEE C#CCN(C(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1)[C@@H]1CCS(=O)(=O)C1 790625325 SVBZKRNVNAQLOI-MRXNPFEDSA-N 447.538 1.929 30 10 IDEE COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cc1C#N 803400910 LZMQCJFDQPWZHI-HXUWFJFHSA-N 440.475 1.512 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC4(CN(C(=O)OC(C)(C)C)C4)C3)cc2C1=O 817514601 BZVSIWDARPSJAI-UHFFFAOYSA-N 441.484 1.931 30 10 IDEE Cc1c(NC(=O)Cc2noc(Cc3ccc(C#N)nc3)n2)c(=O)n(-c2ccccc2)n1C 904257549 AUHFXLVAKPBORE-UHFFFAOYSA-N 429.440 1.906 30 10 IDEE CC(C)n1nnnc1-c1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1131759356 GUFGPSRHAOZSGH-UHFFFAOYSA-N 425.474 1.598 30 10 IDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1138107899 FSBFTNOZRZQAED-OLZOCXBDSA-N 442.563 1.414 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1144428810 CBNKMGGFKHZNMQ-HTXNQAPBSA-N 444.289 1.400 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCCc3ccc(C#N)cc3)CS(=O)(=O)[C@H]2C1 1147172302 OFUNJBYKGNSVOX-OTWHNJEPSA-N 447.557 1.887 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc(F)c(C#N)c(F)c2)C1 1177462166 HEYXAXUZRPJPPZ-ZDUSSCGKSA-N 443.472 1.990 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286312064 QPBVMXVAPRGPRG-UHFFFAOYSA-N 428.541 1.624 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286396662 WXXLLIYGJVWNFB-GCJKJVERSA-N 446.573 1.665 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1286397157 MDCLPPFXQOBSLH-WBVHZDCISA-N 434.591 1.326 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1COCCO1 1286404864 VIVKJFTVSLQHCQ-MRXNPFEDSA-N 432.322 1.924 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(C)c2C)CC1 1286472216 FOWJOKWAIAGGGY-UHFFFAOYSA-N 443.353 1.881 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286495474 WZDGLGHJQGDXOC-UHFFFAOYSA-N 428.562 1.779 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1286787401 FLTNCSZTHZJRRF-MJGOQNOKSA-N 433.553 1.844 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286792048 KZHUFOOXAWJHSU-QGZVFWFLSA-N 426.521 1.430 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1286792654 DTRHFJDOHVKVRV-HNNXBMFYSA-N 444.561 1.548 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)C1 1286810046 XTHWZLLBSWMGQM-VQTJNVASSA-N 445.612 1.284 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(C)c2)C1 1286813455 VLFLUPCISPLLDC-MRXNPFEDSA-N 427.534 1.833 30 10 IDEE CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N 1286953368 YDEKHOGGCCTKLB-INIZCTEOSA-N 425.541 1.717 30 10 IDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)cs1 1290410943 SCFAIHPPEJKQCC-UHFFFAOYSA-N 425.522 1.527 30 10 IDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1291809328 BSFHDUNJLKBFNL-HNNXBMFYSA-N 430.534 1.356 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(COC)CCOCC2)CCOC1 1296662448 CTIOXKGNDNQJQZ-LAUBAEHRSA-N 435.525 1.102 30 10 IDEE C#C[C@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccc(Br)cc1 1298542066 RMDNDEYVCANVKE-ZDUSSCGKSA-N 433.287 1.849 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC)c1OC 1300319345 AIWVRITVXWIZIK-HNNXBMFYSA-N 427.505 1.933 30 10 IDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1300380426 AXERSQZPQWVRPW-MRXNPFEDSA-N 449.519 1.913 30 10 IDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300411545 SVXMPHVQBUWUKP-GOSISDBHSA-N 425.537 1.575 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1300578730 NXDIHXCPZCUNPO-HNNXBMFYSA-N 446.602 1.840 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](C)(O)c2cccs2)CC1 1300682306 GGWLFINLCHMFJK-DYESRHJHSA-N 433.578 1.727 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 1300684271 YWLUKTOLYCARJU-SFHVURJKSA-N 444.605 1.845 30 10 IDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](OCCOC)C1 1300756540 PKHQWPCNWJOSNC-HNNXBMFYSA-N 433.534 1.614 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300823246 AGLJKFAUWKOQNN-CYBMUJFWSA-N 440.346 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccccc2C)CC1 1301497395 VIKWEJZTDZPLPE-UHFFFAOYSA-N 434.548 1.611 30 10 IDEE Cn1ccnc1C1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1308047050 FVMRCZBFKMZIOA-HXUWFJFHSA-N 440.523 1.252 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC[C@H]2CCOC2)cc1 1316529808 DOXVLYMEDJHOHT-GOSISDBHSA-N 445.545 1.495 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CC(O)(CCC)CCC)[C@H]1CCS(=O)(=O)C1 1358960730 KODWOPMNGINAHI-KRWDZBQOSA-N 446.577 1.693 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358963581 KNNKSGSPLUXMOH-AQNXPRMDSA-N 449.621 1.529 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)CCC)CC1 1359032651 XBCPXAAKCADFQU-QFIPXVFZSA-N 435.536 1.227 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)CC1 1359035509 VYSMHXPATSBRPY-KRWDZBQOSA-N 447.465 1.641 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1359056237 AYQISWYXQHNGFW-QGZVFWFLSA-N 448.618 1.664 30 10 IDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359058207 VQEOYNMNKYMATG-UHFFFAOYSA-N 446.621 1.504 30 10 IDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 1359227570 FKOKYGNIPWBNGJ-BZSNNMDCSA-N 439.582 1.583 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCS(=O)CC1 1359295714 LPPQQMFGQZTZMG-UHFFFAOYSA-N 447.561 1.612 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCCC)CC1 1359299515 HCFMRFGGHPZJFC-GOSISDBHSA-N 432.569 1.955 30 10 IDEE CCOC(=O)CON=C(C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2)c1cc[nH]n1 1453831380 ZMXDXWRSFYCNJH-UHFFFAOYSA-N 435.481 1.209 30 10 IDEE C#CC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 1453844813 GROPYOQLNHCTHP-SFHVURJKSA-N 434.290 1.203 30 10 IDEE N#Cc1ccsc1N1CC[C@@H](N2CCN(S(=O)(=O)NCc3ccccc3)CC2)C1=O 1460357839 CDWBKTVCSSMIEU-GOSISDBHSA-N 445.570 1.377 30 10 IDEE CN1C(=O)C(=O)N(CC(=O)Oc2c(Br)cc(C#N)cc2Br)C1=O 1461146206 AMTVWSNJOVQBBR-UHFFFAOYSA-N 445.023 1.409 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCC(C(N)=O)CC4)cc3)CC2=O)cc1 1462803532 GIMANALFRVFOBK-HXUWFJFHSA-N 445.523 1.929 30 10 IDEE N#C[C@@]12CN(C(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)C[C@H]1CS(=O)(=O)C2 1462997749 KKWDKGFDCNDMDQ-LRDDRELGSA-N 425.392 1.296 30 10 IDEE C=CCS(=O)(=O)CCNS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1463401512 XYDFTCAMXVOUPX-OAQYLSRUSA-N 445.382 1.341 30 10 IDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(OCCOC)c(Br)c2)C1 1475667634 PMIJGSHMQKEUSK-AWEZNQCLSA-N 431.352 1.850 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1494721806 MNOJDDDLBNPIKZ-BZROSYFNSA-N 441.536 1.252 30 10 IDEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1502969613 SIBWVNXQBUYPPK-MSOLQXFVSA-N 437.504 1.810 30 10 IDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCSCCCO)CCN1C1CC1 1505324019 KGHVHJZKZHJTER-IBGZPJMESA-N 427.578 1.556 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1507605255 OXRIJIYMQAVRNQ-UHFFFAOYSA-N 438.513 1.641 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(COC(C)(C)C)on1 1507703684 XMTULFRKHMQZGX-UHFFFAOYSA-N 444.536 1.952 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc(C(C)(C)C)s2)CC1 1507716469 RTTWPNOAKPTWAC-UHFFFAOYSA-N 430.582 1.369 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1507867978 CHROSHWSEBINHZ-HOTGVXAUSA-N 445.973 1.165 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(N(CC)CC)CC1 1508059561 XMAUFBNPQNXCHU-KRWDZBQOSA-N 426.587 1.108 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1508071763 MAKOTEKREDXBFA-QGZVFWFLSA-N 430.484 1.436 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508089312 JIDWQELZBLXHJF-GOSISDBHSA-N 430.553 1.661 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)N2CCOCC2)cs1 1511545259 HOPLJDKSWOFUPF-RBUKOAKNSA-N 445.593 1.719 30 10 IDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)CCOC1(C)C 1512565029 GNCRXVOQZHVICT-MRXNPFEDSA-N 444.561 1.856 30 10 IDEE COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)c1 1518072436 MOWJUWKRAIZBMH-ZDUSSCGKSA-N 434.294 1.970 30 10 IDEE Cn1cc(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)n1 1524279955 ACJXDLZLMIKWDA-UHFFFAOYSA-N 445.501 1.492 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1539202161 GLFAVDJMCOMSLP-MRXNPFEDSA-N 449.602 1.656 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1539299910 PQMODCDDGAYJJR-QHCPKHFHSA-N 427.549 1.796 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1539370846 HFDQMQAHGLHGLM-ZHRRBRCNSA-N 446.552 1.524 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N(C)C)CC1 1539434960 YZXZUIAFWVEMED-UHFFFAOYSA-N 448.369 1.280 30 10 IDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1539750791 CLRKLXKRNBYOAM-MSOLQXFVSA-N 441.598 1.830 30 10 IDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCS(=O)(=O)C(C)(C)C)CC1 1539829051 SSKNFCAZXZEJBG-CQSZACIVSA-N 433.600 1.258 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1540200558 CQWIMGCHBOMIFW-PKOBYXMFSA-N 437.610 1.836 30 10 IDEE C=CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861237 INPHBVZVYJDFSJ-JOCHJYFZSA-N 432.569 1.249 30 10 IDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCCOC1 1540869598 RDIRCXKHPXJPEJ-OAHLLOKOSA-N 437.504 1.759 30 10 IDEE CC(C)N1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)C1 1541907646 BCODQZFZNFYGQN-YESZJQIVSA-N 425.603 1.747 30 10 IDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCS(C)(=O)=O)C1=O 1554353564 YQGCTIBZECBAEG-HXUWFJFHSA-N 430.534 1.166 30 10 IDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCC[C@H]2CO)CC1=O 1554361427 KVFIVWYHTDAFFG-FQEVSTJZSA-N 437.548 1.332 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CCC4)[C@H](F)C3)CC2)cc1 1556464465 UAWUVUZJFRIZOR-UXHICEINSA-N 434.537 1.604 30 10 IDEE Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1556782717 QKWHSFNDQRNJIM-WOJBJXKFSA-N 443.525 1.607 30 10 IDEE CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633708 IENBALGFVODPMW-RNFRBKRXSA-N 433.321 1.012 30 10 IDEE COCCn1cc(N2C[C@H](C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)CC2=O)cn1 1566351152 FGTZUDMWYJEBIJ-QGZVFWFLSA-N 433.472 1.461 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1588025168 UMJJHVOJQDKZFT-ROUUACIJSA-N 449.577 1.100 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588039623 AVHQYENENCWGKI-LBEKAKSKSA-N 445.570 1.212 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1588055203 SWYUFRLJCWCFRE-QYZOEREBSA-N 449.621 1.529 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1588140665 ZSQXSIXZLAEBAI-PXNSSMCTSA-N 440.525 1.688 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1589150804 LKCMUXQARNBPSR-IIBYNOLFSA-N 441.561 1.771 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1589216867 ZIDDNMCTNONPIA-CNNODRBYSA-N 449.621 1.529 30 10 IDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1593735259 AUYWSLUZHWUMTL-HNNXBMFYSA-N 439.520 1.485 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)N(C)C)CC1 1594128743 UMVMPSKOVNOEEH-UHFFFAOYSA-N 435.550 1.914 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1596483436 AGGOQVSVKRHKGU-KRWDZBQOSA-N 442.545 1.356 30 10 IDEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1597164452 QADBUAFYAOWEMG-HLLBOEOZSA-N 426.473 2.000 30 10 IDEE CC(C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1602677211 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30 10 IDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1635361298 GWPYMUGJOHFSQE-FXAWDEMLSA-N 426.542 1.721 30 10 IDEE C#CCN(CC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C 1636811635 YGQHBIBHWQPNEL-UHFFFAOYSA-N 425.507 1.042 30 10 IDEE C#CC1(O)CCN(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 1643958297 LVFYBXSJEPVMOY-UHFFFAOYSA-N 430.858 1.863 30 10 IDEE CC(C)NC(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1643984026 ISIQXXBMPARXHN-TZIWHRDSSA-N 429.540 1.771 30 10 IDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 1647985795 CWNJTDBENMGYQS-PKOBYXMFSA-N 435.546 1.601 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 1650845931 BLXDGWRPEBQXFF-UHFFFAOYSA-N 426.470 1.314 30 10 IDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CCOCCNC(=O)OC(C)(C)C)CC1 1655284419 XGXFOVNRGVLQNA-GOSISDBHSA-N 425.574 1.152 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)cn1 1655958019 AFLMWWVGNKSOQW-UHFFFAOYSA-N 430.255 1.683 30 10 IDEE Cc1oc(NC(=O)CN2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)c(C#N)c1C 1659655758 GAYQVFHFHZQNDJ-UHFFFAOYSA-N 431.493 1.518 30 10 IDEE C[C@@H]1C[C@@H](CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CN1Cc1ccccc1 1679146342 VQYKHKDRPFELDX-PBVWOCPUSA-N 430.574 1.867 30 10 IDEE C#C[C@H](C)NC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1682344271 GFPHWYXOHHFBOF-HNNXBMFYSA-N 437.522 1.479 30 10 IDEE N#Cc1ccc([C@H]2CN(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)CCO2)cc1 1684841832 SMHLWZHXOYJECV-FCHUYYIVSA-N 427.549 1.438 30 10 IDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1690156637 ZOCDHYFXRSVQNC-IAGOWNOFSA-N 440.639 1.319 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690662988 IOPPJHZWXWOTDD-KRWDZBQOSA-N 442.520 1.971 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)cc1 1690669656 LIFFSHUUOVXREA-OAHLLOKOSA-N 447.337 1.930 30 10 IDEE CC[C@H](Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1694412168 ZUMJVTGNOAPPBY-NNMXDRDESA-N 432.569 1.920 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOCC2(C)C)CCOC1 1696045064 DWXWHPPPFDCDTF-QFIPXVFZSA-N 432.569 1.781 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1705628707 NDKSOGBLONBUIX-LJQANCHMSA-N 432.546 1.461 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705707731 QFRVDPLLUNRTJF-JTAQYXEDSA-N 447.580 1.968 30 10 IDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1)c1ccccc1 1705741035 DPVQSTOTLYUNLU-MRXNPFEDSA-N 429.550 1.972 30 10 IDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1705880215 YLGVEHTWNNJVBD-UZLBHIALSA-N 436.534 1.160 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1705886080 RHHXRIKNVVNAHA-CVEARBPZSA-N 428.541 1.887 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705896149 CRRPYWWKEWQROU-QGZVFWFLSA-N 433.534 1.269 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC(=O)N(C)C[C@H]1C 1705906484 GYEZIYPASWRVJV-MRXNPFEDSA-N 426.521 1.389 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC)N2CCCC2)C1 1705924298 BUVQOFUGTBAEPN-GBESFXJTSA-N 437.610 1.836 30 10 IDEE CC(C)(Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1706196713 DMXYBQYOVPZSKO-UHFFFAOYSA-N 429.569 1.641 30 10 IDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@](C)(O)c2ccccc2)CCOC1 1710482623 HXCSQKBUIXMQRF-UEVCKROQSA-N 441.532 1.957 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1711317778 FAEWWSCKYRFCDN-WMZHIEFXSA-N 438.532 1.975 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)cc1 1711774588 GVWSHYGGQWPBHC-KRWDZBQOSA-N 434.522 1.010 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1712521622 KTNYUIVCAKPQRG-DOTOQJQBSA-N 440.570 1.024 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCSC2)c1 1722309489 NYLCPTDRWBMFTF-VGOFRKELSA-N 441.557 1.706 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722363742 BOCMULQSFTZUNG-FQEVSTJZSA-N 436.541 1.528 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722371230 VAMZEBSJKOTGMZ-OALUTQOASA-N 437.610 1.562 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1722697402 JBXGBKLVUFIECC-SJORKVTESA-N 442.568 1.502 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1722699771 YECWSNNTSMVPHA-LBPRGKRZSA-N 427.431 1.473 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C(N)=O)C1 1722732027 SYLBBJVERBCZHK-INIZCTEOSA-N 433.534 1.078 30 10 IDEE CC[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1727769247 SZRLLHANMZQXIL-UAFUQJIBSA-N 438.536 1.902 30 10 IDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(CC(C)C)c2C)CCOC1 1728817595 MFQKVWPEJANELW-KNQAVFIVSA-N 443.552 1.868 30 10 IDEE Cn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)cn1 1729575639 AHGXSYLSXXNQOL-GOSISDBHSA-N 425.518 1.612 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1740532334 DMBBIZBISRDCKL-HUUCEWRRSA-N 433.534 1.360 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1740619381 IHSZWMKLPLYIMS-KRWDZBQOSA-N 448.570 1.149 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1740650451 APZVIVMGCSRZLL-KRWDZBQOSA-N 442.541 1.860 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1740665841 SBWCONCYMFHWOU-GOSISDBHSA-N 433.520 1.639 30 10 IDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N[C@@H](C)CC)CC1 1740694575 NNJFHQMMMWDLEG-INIZCTEOSA-N 441.536 1.066 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1740721835 VCROKLUYPORRCS-UHFFFAOYSA-N 439.545 1.557 30 10 IDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740786383 BKOQLUVQJKKWIS-MOPGFXCFSA-N 432.569 1.264 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740961687 HQGKLPYNTJIHCL-ZWKOTPCHSA-N 436.564 1.738 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 1740965134 DPUSUQDCXSUSTM-GOSISDBHSA-N 440.548 1.992 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740966395 SJWACDMNNQFHKN-ZDPZECHZSA-N 446.552 1.530 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740994675 RXGKPTNZHOOTHU-MRXNPFEDSA-N 425.555 1.546 30 10 IDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1747330350 NNYOBCOKOBFCSP-HOTGVXAUSA-N 439.524 1.033 30 10 IDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnccc2OC)CCO1 1748209474 FHXQMWJKPRWDCM-LJQANCHMSA-N 433.472 1.220 30 10 IDEE COc1ccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(C#N)o2)cc1 1748606325 ZBPITMZZBQGBSO-UHFFFAOYSA-N 436.472 1.762 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC(=O)NC(C)C)c1 1748694239 BRRHWYYYSWIURM-UHFFFAOYSA-N 445.527 1.845 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1748776304 DIFUQNJLDLOHJX-UHFFFAOYSA-N 426.521 1.196 30 10 IDEE COc1ccc(OC)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c1 1748855418 AMOGOKCSLYKZTR-KGLIPLIRSA-N 436.538 1.692 30 10 IDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 1749401871 DZFDUFWZMJUCDT-MSOLQXFVSA-N 441.598 1.973 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749457376 QDGOFGVAWVLQHL-KGLIPLIRSA-N 444.458 1.327 30 10 IDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C[C@@H](C)O1 1749553348 PWIYHRMQDUVGBS-WVBUVRCRSA-N 427.505 1.862 30 10 IDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1749599793 LRPQPZUJXCXDOL-ROUUACIJSA-N 439.582 1.078 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)C(C)C 1750966735 KPQCFRVIJHNERO-JOCHJYFZSA-N 440.552 1.417 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCCN1CCCC1 1751215731 AEDHPAVESRULFO-APWZRJJASA-N 441.577 1.596 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](CO)O1 1760110202 BJWCTCMQBVTIFS-OWCLPIDISA-N 432.550 1.236 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760185991 ILVQXLVZAIJCPF-HJWYETAXSA-N 440.635 1.795 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 1760516428 NCHAUWZBGHNJQD-AWEZNQCLSA-N 430.484 1.561 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1766375577 GGILGNFWOFDVEN-LJQANCHMSA-N 434.504 1.606 30 10 IDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1770023018 GCSISSQUDNSPCV-QGZVFWFLSA-N 444.561 1.975 30 10 IDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c(OC)n1 1770222691 HGPWCFPKXFQQPX-MRXNPFEDSA-N 446.533 1.381 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1772566968 ARVUBPOXUIAVDJ-KRWDZBQOSA-N 425.537 1.498 30 10 IDEE CCS(=O)(=O)NCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1772887025 ORHVWGAZHJFXRC-LJQANCHMSA-N 436.513 1.725 30 10 IDEE O=C([C@H]1CC=CC[C@@H]1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1CCOCC1 1853026710 DLGSWGIAPSGKON-STQMWFEESA-N 437.440 1.298 30 10 IDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3Cl)C2)CC1=O 1855886557 LCEUXVOBGCKOQI-OAHLLOKOSA-N 425.938 1.740 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[C@H](N(C)CCC#N)C3=O)C2)cc1 1856496775 OFFQCXLKPCZILV-HKUYNNGSSA-N 432.546 1.369 30 10 IDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857025891 CFAAITYTNGOLEU-HOCLYGCPSA-N 437.493 1.533 30 10 IDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 1862758871 FZTDCTNRSCTJGX-INIZCTEOSA-N 429.341 1.779 30 10 IDEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870504864 DROHGYPIRORUJL-UHFFFAOYSA-N 444.576 1.868 30 10 IDEE C=CCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCC3(CC2)OCCO3)n1 1871477502 IUJFWOXBOHBLJX-UHFFFAOYSA-N 425.493 1.937 30 10 IDEE C=CCN=c1nc(N(C)Cc2ccccc2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631579 BZSPEMYQPCGHDJ-UHFFFAOYSA-N 429.484 1.919 30 10 IDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@@H](Oc3ncc(Br)cn3)C2)cs1 1891449548 SMGBKIDNIQDXOV-LLVKDONJSA-N 438.307 1.905 30 10 IDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)c1 1891889956 WZYZFMIJCQGLOS-OAHLLOKOSA-N 449.423 1.775 30 10 IDEE C#CCn1ncc(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2116268342 JFSZEHYOKOZXLZ-AAEUAGOBSA-N 427.299 1.421 30 10 IDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224092084 FLNOSVZQOOYHKQ-OAQYLSRUSA-N 433.314 1.939 30 10 IDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247952398 NFZJRXFWWWSKBM-UHFFFAOYSA-N 442.343 1.720 30 10 IDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248396105 VIDHBWICBZLNKH-ZDUSSCGKSA-N 441.359 1.598 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2248401680 MKTSLRSWXBXXEN-UHFFFAOYSA-N 440.331 1.022 30 10 IDEE C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255628663 LAIQMHOFBLZIGM-MNOVXSKESA-N 430.236 1.381 30 10 IDEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2255655410 LYUBTBQPCZVKQP-CYBMUJFWSA-N 434.346 1.705 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)(C)COCc1ccccc1 2255748605 GBCXNDBEYRYUJB-UHFFFAOYSA-N 449.382 1.993 30 10 IDEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1NC(=O)OC(C)(C)C 2255818797 QKDQACKPRBBVTG-ZFWWWQNUSA-N 434.346 1.705 30 10 IDEE Cn1nc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2255839400 VKOLKPNDQKISPX-LRTDBIEQSA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2255854843 HONBDTWGIAIUJT-CQSZACIVSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266995437 IAEXFFAHHPRJEP-QFIPXVFZSA-N 447.341 1.483 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2267129599 CXEOAPIRQFVJOA-RYUDHWBXSA-N 444.263 1.391 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 2267260672 PGTAVYQIQPQJBO-KGLIPLIRSA-N 449.361 1.538 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267271335 RITGFIIZYXQKAU-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CC[C@]3(NC(=O)OC(C)(C)C)C2)n1 2267542973 ZWNLATZASWDWTD-ASSNKEHSSA-N 447.345 1.244 30 10 IDEE C[C@H](NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C1(O)CN(C(=O)OC(C)(C)C)C1 2267597518 WHOXSSQNZLZEDA-AWEZNQCLSA-N 447.341 1.481 30 10 IDEE C[C@@H]1CC[C@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1C(=O)OC(C)(C)C 2267598408 ZOAZVQXUJIFURH-KGLIPLIRSA-N 449.361 1.632 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](COCc2ccccc2)C(=O)O)n1 2269066313 ARKFMLQAHOVMHQ-KRWDZBQOSA-N 443.309 1.602 30 10 IDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2329013191 UELPLHMBODLGOX-CQSZACIVSA-N 430.490 1.160 30 10 IDEE COc1ccc(N/N=C2/C(=O)N(C(N)=S)N=C2c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 27832628 VWUIENUICCMRAL-HMMYKYKNSA-N 443.401 1.770 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 111001531 BMDUAWYAMGPDDP-IXDOHACOSA-N 426.498 1.573 30 10 IDEE CCO[C@@H]1C[C@](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)(C(=O)OC)C1(C)C 440858763 JRBDMKZBMRETGL-AUJRIZCKSA-N 437.518 1.088 30 10 IDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1ccccc1OC 441222123 AWBWZOXAOMFXKW-NQAGYIRISA-N 443.500 1.755 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccnc3C#N)CC2)cc1 477053913 DMCBPGCFIFYVPU-UHFFFAOYSA-N 428.470 1.068 30 10 IDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 478752065 CMNHBWJHXYWZAJ-GJZGRUSLSA-N 430.551 1.649 30 10 IDEE N#Cc1ccc(CS(=O)(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c(F)c1 481055481 IGITWDNGPZBOSO-NRFANRHFSA-N 442.516 1.950 30 10 IDEE COc1cccc(N2C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 481276944 PVJNVMTVWSHILW-GDBMZVCRSA-N 442.497 1.155 30 10 IDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)s1 500921905 IFIVJXMIQJJDEQ-UHFFFAOYSA-N 438.506 1.983 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N(CCN(CC)CC)[C@H]3CCS(=O)(=O)C3)cc2C1=O 503472948 MISLQBXMHIJZEC-KRWDZBQOSA-N 447.557 1.440 30 10 IDEE CN1C(=O)N(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(=O)C12CCCCC2 504144938 PKVGQZRFIFZLBR-SFHVURJKSA-N 437.500 1.767 30 10 IDEE N#C[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CCN1Cc1ccccc1 511805458 GDZMMPVSDLDUIY-BNDYYXHWSA-N 427.574 1.949 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](C(=O)OC)C3)nnc12 521870425 SREYDSQEBBURHE-ZDUSSCGKSA-N 427.486 1.344 30 10 IDEE C=CCN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1CCS(=O)(=O)C1 542950046 NTFWCVMQYJKNIZ-SNVBAGLBSA-N 429.292 1.595 30 10 IDEE C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2cccc(C#N)n2)CC1 546916267 DUAUBPBIRNLOAP-ZDUSSCGKSA-N 446.433 1.636 30 10 IDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)C2=O)cc1 549501633 YJASICTUXIZCIC-HOJAQTOUSA-N 426.517 1.921 30 10 IDEE CCN1CCC(CCNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 558106744 PGYXRJFPGIWUPQ-UHFFFAOYSA-N 448.571 1.993 30 10 IDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 574432813 MCWDQUUIHCQWKC-MRXNPFEDSA-N 432.502 1.731 30 10 IDEE CN(CCN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1)Cc1ccccc1 586864452 VRFXSMGAOKDZQU-UHFFFAOYSA-N 437.519 1.590 30 10 IDEE CCN1CC[C@H]2OCCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)[C@H]2C1 590190629 QDRNFHVXELDRKD-FDFHNCONSA-N 429.540 1.330 30 10 IDEE CC(C)CN(C(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 603590720 YGIWGKWPLWSMIQ-QGZVFWFLSA-N 449.577 1.217 30 10 IDEE N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 611643916 WEXNARCZBFEDMZ-QAPCUYQASA-N 437.880 1.791 30 10 IDEE C#CCN(C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 729335181 JIGATBQMXBPERN-INIZCTEOSA-N 427.544 1.288 30 10 IDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccccc3)c2=O)cn1 732563458 ZNYZZEXSOIVPJZ-UHFFFAOYSA-N 435.553 1.450 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C[C@@]2(C)CCOC2)C1=O 733077764 KRWWVBRWQOSMAK-PGRDOPGGSA-N 443.573 1.984 30 10 IDEE C[C@H](CS(C)(=O)=O)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 733202195 PAHNDDQYXGJTOB-ABAIWWIYSA-N 427.523 1.859 30 10 IDEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2)cc1 735116244 FBCXICSRKMHBTQ-CZIZESTLSA-N 428.470 1.290 30 10 IDEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-n2cncn2)cc1 742487589 ILLNEEPPMSAULB-CABCVRRESA-N 438.513 1.962 30 10 IDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1 747359476 JNTPEKQVXZGNIA-UHFFFAOYSA-N 446.550 1.283 30 10 IDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 766742265 ALSXWOMBWFHMJU-UHFFFAOYSA-N 442.501 1.439 30 10 IDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 766990126 GQUHBWNTPSVOPW-GFCCVEGCSA-N 435.408 1.703 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CCCC1 779315824 ISJSNBPNPROEST-UHFFFAOYSA-N 433.511 1.878 30 10 IDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)cc1F 782600939 LUFBEHJXECBUKO-UHFFFAOYSA-N 430.501 1.966 30 10 IDEE CCOC(=O)c1ccn(-c2cccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)n1 794264125 BGRAMZMQPXBYBE-MRCUWXFGSA-N 437.456 1.582 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1c(I)cnn1C 796899021 UUSKRUYAMMDFEP-UHFFFAOYSA-N 430.227 1.324 30 10 IDEE CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 806780710 FDQLPYOMKZUYJD-FTHOYRMOSA-N 447.536 1.945 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)ccc1F 816806194 VLJJLBGWPOLSNB-HNNXBMFYSA-N 432.539 1.719 30 10 IDEE C[C@]1(c2cccc(CNC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)c2)NC(=O)NC1=O 1117399306 JHVJXYPNQUMULN-WAIKUNEKSA-N 435.459 1.895 30 10 IDEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1131941321 MTUMKMZOVVGAIF-QGZVFWFLSA-N 437.562 1.180 30 10 IDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1139865422 ICOKTIMTTYXPGB-AEFFLSMTSA-N 429.970 1.430 30 10 IDEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 1140930680 VBVUPEHUMALMAA-SJORKVTESA-N 439.490 1.762 30 10 IDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(N3CC[C@H](O)C3)CC2)CC1 1174741508 BINQIZLMUHYTSH-FCHUYYIVSA-N 429.540 1.066 30 10 IDEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OCC)ccc2Br)cn1 1192327692 INWATIQSVPURCY-UHFFFAOYSA-N 426.292 1.934 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(S(=O)(=O)N(C)C)CC2)cc1 1198251285 MNPCUDDPXSLZKY-UHFFFAOYSA-N 430.552 1.039 30 10 IDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1248676166 KVBKRDWGBAFFBE-HNNXBMFYSA-N 445.010 1.905 30 10 IDEE N#C[C@@H](C(=O)CO[C@H]1CCOC1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 1252577756 GNPATCNSRYFVFC-WMZOPIPTSA-N 435.502 1.314 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1266190578 CKBMORRYAMMPCE-KBPBESRZSA-N 426.427 1.717 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1286409975 UZUGYVWQJJJBTD-MRXNPFEDSA-N 429.484 1.026 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1286432918 CHQBIIQRVDTUAY-TZIWHRDSSA-N 441.576 1.909 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1286484477 OWHJSVLPVKFKPP-MBSDFSHPSA-N 441.532 1.161 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCSC1)C1CC1 1286732328 PWDZQZWXAOTOAM-RDTXWAMCSA-N 428.628 1.480 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccn2)CC1 1286784178 XWJGVEVBTNOOAX-UHFFFAOYSA-N 439.911 1.412 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1286789680 JIQNVNROXMADFM-UHFFFAOYSA-N 431.566 1.241 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccccc2)C1 1286823705 PFYSGZKVJGUQBI-LJQANCHMSA-N 443.573 1.995 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)COCCO1 1287472323 YBVKBLWJUVQAIT-QFIPXVFZSA-N 425.537 1.875 30 10 IDEE CCO[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1296981343 OMCAQMKFEXTFDZ-SJTPKYKMSA-N 430.509 1.314 30 10 IDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCc1ccc(S(N)(=O)=O)cc1 1300446111 FPAWZIWRVLEIPK-UHFFFAOYSA-N 430.921 1.953 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)CC1 1300876013 RAKKKBPNDQLWON-SZMVWBNQSA-N 441.598 1.732 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1301151978 TULBOGSHCLZNDC-IRXDYDNUSA-N 441.598 1.686 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301257652 CHNWLQBRPDVKBM-BRWVUGGUSA-N 437.566 1.020 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1C 1301425548 WKNODGIEKBFDBE-SQNIBIBYSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301492885 QPSQDTJXFAWCGW-INIZCTEOSA-N 445.955 1.454 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301596345 MDWVXVMNNCMHLY-QZTJIDSGSA-N 439.582 1.031 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1301948079 KSVOLKOWROCLLW-GOSISDBHSA-N 437.548 1.995 30 10 IDEE COCCOCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1302229503 GBKVJZJJUVVSDK-INIZCTEOSA-N 426.525 1.270 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CC3([S@](C)=O)CC3)CC2)c1C#N 1304730502 GBYGVAQMPRWCSV-HKBQPEDESA-N 444.609 1.628 30 10 IDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1305260295 AOJJTTZSGXAVEF-SLFFLAALSA-N 438.532 1.852 30 10 IDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(O)CCN(C)C1 1305520419 CJFYZLLKSPROIU-OPAMFIHVSA-N 441.584 1.098 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1314852776 OQBDUVLTVYCDGP-UHFFFAOYSA-N 442.549 1.449 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2CC)n1 1340156026 HFUIZHNHPUGBHI-UHFFFAOYSA-N 442.545 1.851 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCc1n[nH]c(C)n1 1358971182 KZYHHUNCXNVXLQ-UHFFFAOYSA-N 427.310 1.788 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358977393 LGXYRTGDHVEWBN-SJORKVTESA-N 428.537 1.805 30 10 IDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358985880 JIITWCBFJBBRJQ-RPWUZVMVSA-N 439.560 1.793 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1358999664 ZLUINXOXHBTYRR-UHFFFAOYSA-N 426.496 1.472 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1358999840 FDXIOKRLLJHBIW-QAPCUYQASA-N 436.557 1.790 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1359010314 LWYQEAAJJNXHKB-LJQANCHMSA-N 431.562 1.736 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1359023703 SVNQOMFSJKVMSL-IBGZPJMESA-N 436.516 1.490 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2noc(CC)n2)CC1 1359031338 YNSAEWJJAMRCRC-JOCHJYFZSA-N 443.552 1.262 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1359226186 YQVZQMIAGSUEJU-UHFFFAOYSA-N 448.531 1.753 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)C)CC1 1359296219 AXGXBMXGVCSUAG-UHFFFAOYSA-N 428.537 1.795 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1359317045 AOMQBZGAFSAKQM-HXUWFJFHSA-N 434.504 1.772 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359638767 IEVKESYPIADBLX-MJGOQNOKSA-N 435.532 1.551 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)c1cc[nH]n1 1446840696 WFPMQGOKMFDJAU-UHFFFAOYSA-N 430.461 1.965 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(nnn3-c3ccccc3)C2)s1 1450069499 ZUJFCUPVULPZKQ-UHFFFAOYSA-N 443.554 1.921 30 10 IDEE CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456620166 XRORRZSZGRYVMT-LUQKVYGDSA-N 431.514 1.087 30 10 IDEE C#CCCN1CCN(C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1464609621 AWEVYOKVGSRVED-TZIWHRDSSA-N 433.574 1.101 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CC1 1465418203 SEWUPVDCPQXCSP-UHFFFAOYSA-N 445.501 1.457 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)C1 1470684901 FSAXDGKJDDHNGA-SFHVURJKSA-N 449.349 1.317 30 10 IDEE C=CCCOCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1472203028 SDOBJGQMVHZUBP-SJORKVTESA-N 430.567 1.994 30 10 IDEE N#Cc1cccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCSCCCO)c1 1505319179 WQOXWBUGEFWIFS-MSOLQXFVSA-N 426.546 1.647 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507624567 BNXXMCQOCGXVFY-WMZOPIPTSA-N 432.546 1.863 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507627056 IHWIBQVWHJBRPW-IRXDYDNUSA-N 436.509 1.565 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507632150 XQFVKIZQOQWILB-FQEVSTJZSA-N 442.589 1.843 30 10 IDEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1507632723 PIJAJZHPJMDAOX-DLBZAZTESA-N 440.591 1.163 30 10 IDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCN(C(C)C)CC1 1507651485 BFVYUMUSVPLNLL-UHFFFAOYSA-N 438.532 1.314 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](F)COC 1507709942 GGNXNFJWFLUSRM-HNNXBMFYSA-N 428.468 1.263 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)CC1 1507724908 MBZOENXEAUZDEK-UHFFFAOYSA-N 431.500 1.251 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(SC)CCN(C)CC2)CC1 1507724963 NBIZRYPRSFMBDF-UHFFFAOYSA-N 425.606 1.923 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1508079863 FRMXCTNALSAJGE-QGZVFWFLSA-N 448.531 1.761 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1508096960 LXSINTKMNQXBGL-GOSISDBHSA-N 430.553 1.661 30 10 IDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1508106811 XAWJRINRQKWYMB-UHFFFAOYSA-N 449.577 1.899 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCOCC2)C1 1508118131 WTPWSVQRPMBSKJ-KNKQGSTJSA-N 435.569 1.432 30 10 IDEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1516724535 LCXVKUZYBILYHV-UHFFFAOYSA-N 441.511 1.888 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCOC[C@@H]1OC 1519321369 TTZLJJXKLDEOOJ-LFGUQSLTSA-N 448.568 1.230 30 10 IDEE C#CCN(c1nnc(Cc2ccsc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1539226493 ZGAYIRPVDZFFLI-INIZCTEOSA-N 431.543 1.902 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCSCC1 1539260808 VCUPBORVLCFDDY-UHFFFAOYSA-N 433.541 1.716 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1539362559 CXDFETGKYGAMIJ-UHFFFAOYSA-N 428.518 1.621 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1 1539396272 NIORSRGHVAGLQW-CQSZACIVSA-N 425.942 1.676 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1539475971 PDBSHDNPHJKMGU-PMACEKPBSA-N 438.532 1.357 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OC)c2)CC1 1539477628 TVFARUHCSRGJHF-UHFFFAOYSA-N 431.500 1.758 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1539632482 SCQQRGAJHBRFHE-DZVNLGKHSA-N 440.566 1.011 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539758876 UKXLKCFTHRCXJM-GOSISDBHSA-N 432.569 1.734 30 10 IDEE C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nncn2C)CC1 1539848715 QQJODODEJICRHH-MRXNPFEDSA-N 444.540 1.920 30 10 IDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539977037 INVMJHAQJKJVTD-UHFFFAOYSA-N 447.565 1.752 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1540877044 IZXUYXAPXWMPRL-MRXNPFEDSA-N 442.480 1.062 30 10 IDEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540917465 XALWNYRSHOFJKE-UHFFFAOYSA-N 434.610 1.667 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1541803934 OEAMTTAZKBLEKL-KSFYIVLOSA-N 437.552 1.669 30 10 IDEE Cc1ccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)cc1S(=O)(=O)NCC#N 1556733971 FCNCVBSIWIEIMD-HNNXBMFYSA-N 433.511 1.098 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)c1 1557187029 RZRAZUJCAQPFIJ-SFHVURJKSA-N 447.532 1.933 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)n1 1565236914 WJZKFHRBDGBDAI-HSZRJFAPSA-N 439.560 1.884 30 10 IDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(CN2CCOCC2)CC1 1566769673 MCTRSJGNXSUDPC-GOSISDBHSA-N 425.570 1.922 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 1584788912 YHXRRNAKWAVTNL-UHFFFAOYSA-N 425.551 1.273 30 10 IDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C1CCOCC1 1586729872 IAIARICHSRXGNH-FQEVSTJZSA-N 449.573 1.180 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1587581132 WKJNHGQPIYIBGL-CABCVRRESA-N 448.545 1.864 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1587651579 NTMFKGPJTLCVEN-MSOLQXFVSA-N 435.532 1.469 30 10 IDEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1587777941 WKAQESHWQIJGSP-UHFFFAOYSA-N 440.573 1.661 30 10 IDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1587798893 VEXMRVXDWSLIIT-UHFFFAOYSA-N 426.569 1.627 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588054600 OHYDHWKTFGEONM-QZTJIDSGSA-N 432.550 1.352 30 10 IDEE C#CCN(c1nnc(COCC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1588074809 SMVYRCHLXHQYAL-RYLXDESZSA-N 436.578 1.383 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1588673478 PJEPNXJNBWDLMO-AVRDEDQJSA-N 431.537 1.215 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1588946277 ANUGJPHBBGGGPE-GOSISDBHSA-N 434.544 1.859 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589528227 DQYGTVVARBACIY-MSOLQXFVSA-N 430.553 1.310 30 10 IDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cc(Br)cn1 1594857066 IDSSSGMNUUGWOR-GFCCVEGCSA-N 446.375 1.560 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCn2nc(C)nc2C1 1595785412 ZVCIQGPLQMTODU-UHFFFAOYSA-N 443.533 1.475 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2)C[C@H](C)O1 1611531905 IXMMQHVKZBKMCJ-IRXDYDNUSA-N 448.541 1.962 30 10 IDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)CC1 1611773252 GGUDQYOLUWTZBA-LJQANCHMSA-N 443.596 1.767 30 10 IDEE C[C@@H]1CSCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613017028 LYMVYGWBUIEHSU-NHWLHPCLSA-N 432.550 1.640 30 10 IDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1618757406 CERVZEFINUJBBY-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE CNS(=O)(=O)CCn1c(N(CCOC)Cc2ccc(C#N)cc2)nnc1C(C)(C)C 1618847662 AXTGMIASBOJFLP-UHFFFAOYSA-N 434.566 1.649 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 1624692281 HWRBAKXPCZWMIM-KRWDZBQOSA-N 427.436 1.002 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 1624985792 AQZNZEKYKPXGAE-UHFFFAOYSA-N 433.493 1.800 30 10 IDEE COC(=O)c1nc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1Cl 1634918867 PQCCEFFBOQUDFZ-KRWDZBQOSA-N 441.875 1.994 30 10 IDEE Cc1onc(CC(=O)N2CCC[C@@H](n3nncc3I)C2)c1C#N 1643459541 WNLKVGPASFUYPD-SNVBAGLBSA-N 426.218 1.457 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H](O)C1 1643930634 FMIYCBLTDCOZSS-HOTGVXAUSA-N 441.481 1.223 30 10 IDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1645502791 HXAUSWJHDSLEED-ZHRRBRCNSA-N 431.489 1.785 30 10 IDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1=O 1652998318 NZMXVAHAOQIJTM-RDJZCZTQSA-N 430.505 1.405 30 10 IDEE Cc1cc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)n([C@H]2CCS(=O)(=O)C2)n1 1657872606 CFATYGKHCXNIMD-KRWDZBQOSA-N 446.508 1.916 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1C(F)(F)F 1672543020 ZBAPQZXIUKBLHI-NEPJUHHUSA-N 431.419 1.494 30 10 IDEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)N=S(C)(C)=O)CC3)cc21 1673312418 XSMTXRTURZIJFT-UHFFFAOYSA-N 440.551 1.344 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)CC1 1685710912 LQCKCUZPUSUQNT-CQSZACIVSA-N 430.310 1.759 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(F)cc1)N(C)C 1690102643 QUVFEWCLZXNXOP-RTBURBONSA-N 428.512 1.757 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCc1cnn(C)n1 1690104278 RNLFBPQGZWJXLQ-HXUWFJFHSA-N 437.504 1.638 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC2CCOCC2)CC1 1690396996 RVRMWSSUFKYBQK-MRXNPFEDSA-N 441.598 1.876 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690451698 NMLWZMNFVVZPDF-LSDHHAIUSA-N 428.559 1.522 30 10 IDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690470992 QUYATJLAAWTRSS-INIZCTEOSA-N 439.586 1.192 30 10 IDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690673744 CHWNEOFKIVOPAU-JOCHJYFZSA-N 443.552 1.128 30 10 IDEE Cc1ccccc1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1693266276 BSOWRKRATBEBPR-MJGOQNOKSA-N 446.577 1.901 30 10 IDEE COCCN(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1698026593 FRNQPGYMVJXWNA-CQSZACIVSA-N 438.330 1.343 30 10 IDEE COCCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698196578 AGXXGKUWIDPGSZ-BQASMSSTSA-N 432.525 1.344 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1705481150 APLKYLATXUCXPF-DPHDRGAJSA-N 435.444 1.838 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705564782 QCXMLYIDGWUAPV-MOPGFXCFSA-N 442.589 1.841 30 10 IDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705565798 WIPSPOMUFPHHBN-MRXNPFEDSA-N 445.545 1.105 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1705573620 KLSRVWOKZRJDJB-MOPGFXCFSA-N 434.610 1.329 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSc2ccccc2)CC1 1705632787 BKXKSEZEOLGSBJ-QGZVFWFLSA-N 448.618 1.436 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1705695168 ADNNVZCJBZSXLK-VQHPVUNQSA-N 427.571 1.485 30 10 IDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1COc2ccccc2O1 1705747180 HJHGEBHDGVCOOU-KBPBESRZSA-N 441.941 1.917 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C(C)=O)CC2)C1 1705926526 GAAASQUEPQFRMD-OAQYLSRUSA-N 439.564 1.209 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC(C)(C)C1 1705930212 IHVHNURPPXUPQA-AWEZNQCLSA-N 433.600 1.116 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705934466 NLKZQBHQRWIYOU-KRWDZBQOSA-N 444.561 1.450 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1706747550 AMRRPLFCSMEVFD-ZDUSSCGKSA-N 429.506 1.767 30 10 IDEE Cc1csc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)n1 1707717002 COQSOQXFYGCHOR-KWCYVHTRSA-N 439.567 1.186 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1OCC[C@H]1C 1710729664 HOMZEGLCSSYAMZ-CRAIPNDOSA-N 428.541 1.480 30 10 IDEE CNS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1711416670 ABOYGIPNNNGWGF-LLVKDONJSA-N 444.359 1.191 30 10 IDEE COCC1(C)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712188915 YBGXQGVMILSPOY-OSCRUYLVSA-N 444.536 1.561 30 10 IDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1712373674 FZVHWAXJRPLVEL-GOSISDBHSA-N 432.550 1.713 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1712692590 YVNPRXLXHNESFV-ZWKOTPCHSA-N 431.518 1.246 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 1722333361 VXFXLEHKBJGDRZ-SFHVURJKSA-N 435.525 1.800 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1722414069 VFKLUHLHZALAKC-RCCFBDPRSA-N 449.552 1.586 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)C(C)C)CC1 1722437222 LKYUMBFGLZNJOQ-FQEVSTJZSA-N 438.532 1.318 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)CN(C)C)CC1 1722448832 ZFNSTYUTSHEDMD-IBGZPJMESA-N 430.597 1.726 30 10 IDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1722459179 FDCGXCLLEYNQLO-KRWDZBQOSA-N 446.602 1.268 30 10 IDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC)C1 1722545448 FJFYMXLIBPHSBN-HNNXBMFYSA-N 426.926 1.953 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1722620918 UBOFXOJMJUHCOB-UHFFFAOYSA-N 431.541 1.101 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](CC)C1 1722688711 JNVLHSHMOVOHPR-AWEZNQCLSA-N 437.342 1.964 30 10 IDEE C=CCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722689583 VUJCUXJBVGRBIV-JXHRLWIKSA-N 446.596 1.494 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722693053 CDJMEILCPNNGKS-IYBDPMFKSA-N 437.447 1.699 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1722697106 IKQANPUIMLGMIH-UHFFFAOYSA-N 439.549 1.124 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(C(=O)NC)CC1 1722705586 DXJBDQGEZLILRF-UHFFFAOYSA-N 440.548 1.684 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1726637095 GMDVIBXSIBNCEO-HNNXBMFYSA-N 433.520 1.878 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1728259869 HBZCIWQXQQSZIO-UHFFFAOYSA-N 433.520 1.355 30 10 IDEE COC[C@H](F)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2C#N)CC1 1730478078 VQVJCBSUKCNMIB-GOSISDBHSA-N 443.527 1.989 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccc(C(F)(F)F)n1 1740534468 ZCQDGPPFXNBTFJ-VXGBXAGGSA-N 445.471 1.398 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740566510 HZXPYXAXZOHHCJ-OALUTQOASA-N 437.548 1.886 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(N)=O)c2)CC1 1740703827 BKQCZNUODHROKL-UHFFFAOYSA-N 445.527 1.397 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740719114 ZDTRBDMLVLTFKF-IAGOWNOFSA-N 438.561 1.525 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1740882423 KQCZTVRFRJRCSM-GOSISDBHSA-N 429.477 1.218 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740885151 ZNKOOYSKYSBIBJ-UHFFFAOYSA-N 428.541 1.958 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(NC(C)=O)nc1 1740894762 GZBYXHVYGSKSRH-UHFFFAOYSA-N 430.476 1.945 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1748659001 ZQMYHBCQUQPFCC-GDBMZVCRSA-N 431.518 1.556 30 10 IDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1748740602 RGTINEIKMDACTK-MRXNPFEDSA-N 445.545 1.853 30 10 IDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NCC#C)CC1 1748747609 KNZAWQFYSBGLJN-UHFFFAOYSA-N 443.511 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1748892045 IBMAVVAGTXWJDN-ROUUACIJSA-N 432.546 1.186 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCSC2)CC1 1749006797 XUDVGWXQKKBHKU-OAQYLSRUSA-N 429.546 1.680 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC)C1 1749686667 DAVISNLSVSHCHM-LJQANCHMSA-N 441.532 1.979 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC(F)(F)F)c1 1760163635 YFKYDTBPLKWQOO-ZDUSSCGKSA-N 445.467 1.947 30 10 IDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760193170 VQUWRHGJOWOTML-XMTFNYHQSA-N 438.594 1.858 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1760196438 NTCIPSDRDAIHEL-OAQYLSRUSA-N 434.562 1.359 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1760218458 HAKLYLIESJYCNL-PGRDOPGGSA-N 432.590 1.974 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC1CC1 1760230139 SOSJEYXYVXIHDH-UHFFFAOYSA-N 440.533 1.205 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@H](O)C1 1760244618 BCJWYWIXDCZINI-HKUYNNGSSA-N 446.573 1.986 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1760282053 VGOIRMZQFLYCLK-MRXNPFEDSA-N 441.623 1.399 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1760287758 FJAUEHUKGICMLR-IIBYNOLFSA-N 442.545 1.885 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1761356396 GJCMPCKXBFZRLP-MRXNPFEDSA-N 430.534 1.726 30 10 IDEE CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@H]1CC 1766616744 DSFNFUJXZXYNDU-APWZRJJASA-N 441.536 1.679 30 10 IDEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1770721452 DJIPIUDGEHKCMW-SFHVURJKSA-N 439.564 1.893 30 10 IDEE N#C[C@@H]1CC12CCN(C(=O)[C@H](Cc1c[nH]c3ccccc13)N1CCS(=O)(=O)CC1)CC2 1852729453 GWOKXTMNBIULJX-RXVVDRJESA-N 440.569 1.962 30 10 IDEE N#Cc1ccccc1N1CCC(C(=O)NCCN2CCN(S(=O)(=O)C3CC3)CC2)CC1 1853139835 LLAYGJASOPIXKB-UHFFFAOYSA-N 445.589 1.001 30 10 IDEE COc1ccc(Br)c(S(=O)(=O)NC(C)=NOCCN2CCOCC2)c1 1853414830 ZADKZQZVLOECEB-UHFFFAOYSA-N 436.328 1.418 30 10 IDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)C(=O)C1 1855278897 KWMJWBPZMCWDEW-INIZCTEOSA-N 429.901 1.489 30 10 IDEE COc1ccccc1CC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1855987580 WRIYGWKMWFXNKP-UHFFFAOYSA-N 427.482 1.888 30 10 IDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2OC)c(=O)cc1CN(C)CCO 1870391885 VRCORKGQTQENRH-UHFFFAOYSA-N 431.489 1.493 30 10 IDEE CC(C)(C)OC(=O)NCC(F)(F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010404572 SORUPZRKFCWIOA-UHFFFAOYSA-N 428.245 1.874 30 10 IDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2224072839 RNRPDNJAABIRAI-INIZCTEOSA-N 431.342 1.941 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255632323 LMIUMHYOAXSQJK-UONOGXRCSA-N 436.318 1.121 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)n1 2255654149 SNMAOIPWLXYVPG-UHFFFAOYSA-N 432.330 1.555 30 10 IDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255828683 GHHXAQMACFUMKQ-UONOGXRCSA-N 436.318 1.073 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2O)CO1 2256015891 ZEVKLRUBWMRLQX-CQSZACIVSA-N 434.298 1.972 30 10 IDEE Cn1cc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2267131929 JBUKBEFFTISLPB-QKDCVEJESA-N 446.357 1.562 30 10 IDEE Cn1cc(C(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2267131981 KDSPONLATJXZKH-LBPRGKRZSA-N 444.263 1.250 30 10 IDEE Cc1ccnc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267510590 NCTXLBWMOKXORC-CABCVRRESA-N 447.341 1.711 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CCO1 2267597391 PWSGXVUGLPLLQR-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CCO)COCc1ccccc1 2320441408 RBSVHBKYYUBEII-QGZVFWFLSA-N 429.326 1.417 30 10 IDEE N#CCCn1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c2ccccc21 98077432 YBTAHDSPKPVMPS-VOTSOKGWSA-N 435.528 1.571 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccc(I)cc2)CCO1 409500646 NNNXHMYHEHSFBR-LSDHHAIUSA-N 447.298 1.897 30 10 IDEE Cc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 439021212 QCUQPUURHGRDJN-UHFFFAOYSA-N 425.470 1.595 30 10 IDEE Cc1cc(C#N)ccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 439028772 PEFUWVXPFDOGAJ-MRXNPFEDSA-N 433.511 1.584 30 10 IDEE CCC1(CC)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 464339550 RVMDRTCJCDLFQZ-SFHVURJKSA-N 432.546 1.658 30 10 IDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C[C@@H]2CCCO2)c1=O 478741510 CEXYRQHAIISMAQ-MOPGFXCFSA-N 438.549 1.896 30 10 IDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OCC)n2)c1=O 531655889 NQYUJGDJHVQKEY-UHFFFAOYSA-N 427.526 1.612 30 10 IDEE COc1ccc(CN2CCCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)cc1 538360963 YHCAQNRXSVBSLO-UHFFFAOYSA-N 448.571 1.818 30 10 IDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCn1cnc(C#N)n1 552679297 XVUJSKPAFTWBAG-NSHDSACASA-N 426.296 1.138 30 10 IDEE CS(=O)(=O)c1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 571902366 QDJYHABYWVJUAM-UHFFFAOYSA-N 447.538 1.037 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3csc(-c4ccccc4)n3)CC2)c1C#N 579861152 FZPQFZCNDUVESY-UHFFFAOYSA-N 449.540 1.689 30 10 IDEE CN(CC#CCN(C)C1CCN(c2cnccn2)CC1)C1CCN(c2cnccn2)CC1 583039962 WXRYSFLUMBMPPV-UHFFFAOYSA-N 434.592 1.771 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)Nc1ccn(C)n1 588813794 PMXPUMURBPIWPH-UHFFFAOYSA-N 436.266 1.587 30 10 IDEE N#C[C@]1(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CCSC1 589308989 BHMIYRYSADSLHL-YGRGBYHCSA-N 433.533 1.981 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1F 603799227 FLNKYVSKMNOLIA-UHFFFAOYSA-N 437.496 1.694 30 10 IDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1=O 674477521 DGSXUSCYTXQDKW-DFBJGRDBSA-N 444.491 1.862 30 10 IDEE CCNS(=O)(=O)c1ccc(I)cc1B1OC(C)(C)C(C)(C)O1 694963820 UFFRDAAZIOWSLZ-UHFFFAOYSA-N 437.108 1.889 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)c1 726563633 POEMVRLNPRLLTQ-QGZVFWFLSA-N 427.526 1.863 30 10 IDEE C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732666041 FFSDPAMVPVDOIT-BEFAXECRSA-N 437.422 1.982 30 10 IDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 733201353 KAVTVNJGDOTEPF-GOSISDBHSA-N 429.546 1.668 30 10 IDEE N#Cc1cc(COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)ccn1 746952664 AMISVRCOALJIAR-HNNXBMFYSA-N 440.275 1.098 30 10 IDEE Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)nc12 750721119 APVSMMVCJWZHQJ-LPHOPBHVSA-N 428.452 1.918 30 10 IDEE CCOC(=O)C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1C 752352055 GBDADYUSAQKGQU-KRWDZBQOSA-N 429.498 1.844 30 10 IDEE COc1c(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cnc2c1cnn2C 752362621 CLEUZFDPXZLHRX-UHFFFAOYSA-N 431.412 1.830 30 10 IDEE COC(=O)c1nn(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)c1Br 756876933 PNVFSCRQVVHZJY-NSHDSACASA-N 434.298 1.571 30 10 IDEE CS(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 759075285 ATKJJLZBXMGGIV-UHFFFAOYSA-N 426.564 1.594 30 10 IDEE CCC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NCCN(C)C)SC2=Nc2ccccc2)C1 761850100 PMTXZEPQKHUPJR-ZWKOTPCHSA-N 445.589 1.697 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cc(-c4ccccc4)nn3)CC2)o1 761999126 ARVRABAWANXWPA-UHFFFAOYSA-N 435.444 1.005 30 10 IDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 769611622 BATZUPSYPVDYMQ-UNQMGURYSA-N 425.407 1.889 30 10 IDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NC2CCCC2)C1=O 771578859 RDOZCXNMNRPSPJ-IVZQSRNASA-N 426.473 1.538 30 10 IDEE C#CCN(C(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1)[C@@H]1CCS(=O)(=O)C1 774038742 ZTQZNJKGPNDXEX-OAHLLOKOSA-N 430.486 1.703 30 10 IDEE CC(C)Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794578401 BNWUJIKSMSGNMK-INIZCTEOSA-N 436.537 1.712 30 10 IDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 808463987 GEKAKIJLZMJOTK-UHFFFAOYSA-N 430.505 1.613 30 10 IDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(C[C@@H]3CCCO3)c2=O)cn1 837843320 ABATXYOMMQHARL-HNNXBMFYSA-N 438.484 1.347 30 10 IDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C2=O 916775184 MXUMKVZBXHZBHI-UHFFFAOYSA-N 432.502 1.395 30 10 IDEE COC(=O)c1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc(O)c2)n1N 1084492371 KMMYETZFOMTYJF-UHFFFAOYSA-N 441.473 1.661 30 10 IDEE Cc1nsc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1C#N 1128319714 NKHDLCOEZZASTE-GFCCVEGCSA-N 432.483 1.899 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1c(I)cnn1C 1132690420 IKESIKXUWDKWDH-UHFFFAOYSA-N 439.257 1.863 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@](F)(C#N)C2)C1 1138252123 VCPBDLNHBURUIR-PMACEKPBSA-N 427.473 1.798 30 10 IDEE C=CCOC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)C(=O)OC 1211664579 OODPBKYVFBKJEZ-SFHVURJKSA-N 430.486 1.751 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1256339133 DENHWZIPHZPIHJ-UHFFFAOYSA-N 434.518 1.225 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)s1 1286376051 DPZNMEKIIVWKOM-CYBMUJFWSA-N 429.955 1.444 30 10 IDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1286380026 AXEBGMBHFQWPAR-QZQOTICOSA-N 436.472 1.462 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1286398666 ZYVWTDUQYLMQPC-FOIQADDNSA-N 433.534 1.079 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1286467654 RONYDRJLSHJSSD-QGZVFWFLSA-N 448.545 1.332 30 10 IDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1286473964 ZEIPTXXTIKHRCY-VIZSFHNOSA-N 431.581 1.625 30 10 IDEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286500501 VJUPMZBNBKVQKR-INIZCTEOSA-N 444.948 1.112 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccs2)CC1 1286820529 MVKKQTPCWHVRQN-INIZCTEOSA-N 437.591 1.771 30 10 IDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CCO1 1286940216 ALHXWHPVYTVDGO-HLAWJBBLSA-N 438.532 1.709 30 10 IDEE CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1292981614 JXNFYXJSKMQXTG-MGPWXQLLSA-N 445.524 1.470 30 10 IDEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1297914320 WFSUEDMZXKBAHA-KRWDZBQOSA-N 439.545 1.107 30 10 IDEE C#C[C@@H](CO)NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 1298583750 FGTAWXZPYWVTJN-DOTOQJQBSA-N 428.514 1.223 30 10 IDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1299278454 IGQIXVKGINPZJO-QGZVFWFLSA-N 436.520 1.193 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(C3CCN(CC)CC3)CC2)c1 1299519842 AZGIETJSCLPQFZ-UHFFFAOYSA-N 434.606 1.783 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2CCC(=O)N2)c1 1300332314 BVQRRFBSZDBPMV-GOSISDBHSA-N 429.484 1.675 30 10 IDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCN(CC)CC1 1300471409 AUAVMVSHWZRVAB-SFHVURJKSA-N 443.621 1.613 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1300482814 HHOQAPOUAYWYJK-HZPDHXFCSA-N 433.534 1.441 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1300496292 PMXBVQYITDFKSO-OALUTQOASA-N 438.594 1.862 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1300578712 GUFIHCKNNVDCDV-SJORKVTESA-N 434.491 1.048 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1300684243 YNZDDMZZZOISGG-JRGCBEDISA-N 443.523 1.852 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(=O)NC)c2)CC1 1300697705 IAAUYCASPHEIKO-OAQYLSRUSA-N 436.560 1.877 30 10 IDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC(N)=O 1300755420 RYSNPVJOSXGKTR-CQSZACIVSA-N 449.606 1.305 30 10 IDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300838954 AKTCBHUEQWOCIB-UHFFFAOYSA-N 448.369 1.926 30 10 IDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1301349613 MDEQNOUMWSHEPO-CQSZACIVSA-N 448.528 1.397 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301587062 XGPLRIMFXJZVSJ-GOSISDBHSA-N 434.566 1.638 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1301593611 QUNHBFQHLVGXNW-MSOLQXFVSA-N 436.582 1.744 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1303866746 KHRZEKDILVAIIQ-GXFFZTMASA-N 448.427 1.169 30 10 IDEE C#CCCN(CCOC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1310105013 HOVSLJYPYUHSDW-UHFFFAOYSA-N 425.507 1.220 30 10 IDEE COCCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1316226165 CJIHXDDZLKVERP-UYAOXDASSA-N 427.505 1.974 30 10 IDEE COCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316268779 XSYDVUYSPZGXPK-SFHVURJKSA-N 431.566 1.473 30 10 IDEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)cc1 1332161438 QHLAVMLODLKOSQ-UYAOXDASSA-N 433.516 1.942 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nn(C)cc1I 1356277026 JYXBYSNXZGCCPV-SNVBAGLBSA-N 437.245 1.037 30 10 IDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCn1cccn1 1358922797 RDYIMCNAWMIRMR-UHFFFAOYSA-N 441.561 1.942 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1359040477 WKTOFEHLCINSQJ-HKBOAZHASA-N 444.580 1.016 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 1359044348 DCPZCJIEWCKINE-NRFANRHFSA-N 442.608 1.748 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCN2CCOC2=O)CC1 1359046867 IYSYMFWCLRLPLY-UHFFFAOYSA-N 442.564 1.819 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCNS(C)(=O)=O 1359074010 NCKMMBCQZXCWBM-HXUWFJFHSA-N 433.534 1.407 30 10 IDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N1CCOCC1 1359270518 RRUSSEPCVUZYQF-UHFFFAOYSA-N 449.515 1.229 30 10 IDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1 1359275008 HZQQQUTXBIKXIZ-FQEVSTJZSA-N 425.533 1.876 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359329464 JNRTXQRDSCBFPW-INIZCTEOSA-N 433.534 1.256 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359337710 YIDYXDKLKXEKLQ-OAGGEKHMSA-N 429.612 1.813 30 10 IDEE C[C@@H]1CN(c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2F)C[C@@H](C)O1 1441783499 LJZPDMKPGZPFII-ZIAGYGMSSA-N 429.452 1.280 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(CCO)C[C@@H]1C 1451354949 LJAZTKRCNXQUPZ-ZDUSSCGKSA-N 426.311 1.623 30 10 IDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1452090951 XZHAASTYFAGGRV-SFHVURJKSA-N 426.498 1.110 30 10 IDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(CN3CCNC3=O)CC2)CC1 1460855706 HMOCRDPQRXTPFK-GOSISDBHSA-N 430.578 1.194 30 10 IDEE N#C[C@@]12CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]1CS(=O)(=O)C2 1462998158 MPLWQURLAUFPQZ-NHYWBVRUSA-N 428.264 1.297 30 10 IDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)OC(C)(C)C 1463927994 OTAYCNAOULRHGN-UHFFFAOYSA-N 445.516 1.859 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC1 1471171060 FSSRQKBHPYGYCY-KRWDZBQOSA-N 447.333 1.873 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 1471450706 HKTJKSFESPRGQT-UHFFFAOYSA-N 442.328 1.405 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1504124008 IACYHSPGLPIPJA-SFTDATJTSA-N 430.484 1.471 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCCO3)n1CCOCCCO)C2 1505317917 QUEJHSSDNPVMFW-SFHVURJKSA-N 428.493 1.454 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCn2ccnn2)c1 1507550225 ICUWAMJDFWFUHM-SFHVURJKSA-N 434.504 1.520 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1507632628 OMTKVADLBXLUGT-DLBZAZTESA-N 449.602 1.725 30 10 IDEE C#CCSCCn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 1507758272 KLCVNRVWIYLUAZ-GOSISDBHSA-N 447.527 1.981 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508089822 ZSVIXQDCWJQISO-SFHVURJKSA-N 425.537 1.109 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508160088 DAIXAVWVCMZPFV-OAGGEKHMSA-N 430.596 1.340 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C#N)o1 1509682952 FZHMOLPOYIULPH-UHFFFAOYSA-N 445.487 1.523 30 10 IDEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1510320366 NUCLCWFEYKTBLO-NRFANRHFSA-N 445.545 1.657 30 10 IDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2c(C#N)c(C)nn2C)cc1 1538614234 ASYSHSALSUXPCZ-UHFFFAOYSA-N 435.506 1.136 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539200546 KJJMNBGKDXGKSW-HKUYNNGSSA-N 443.573 1.847 30 10 IDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539212006 QOWJMSXBPXDKMW-IBGZPJMESA-N 449.540 1.534 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1539212617 WLIKWMDTLLVHKV-MRXNPFEDSA-N 440.529 1.874 30 10 IDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539213322 XVFSYXSUXOHQHH-IBGZPJMESA-N 439.541 1.749 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1539229851 IUGSZMPDHYYFKR-SLQAJWMNSA-N 448.614 1.459 30 10 IDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN(CC)S(C)(=O)=O 1539370686 DRVIDONCTZISMD-LJQANCHMSA-N 447.561 1.922 30 10 IDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1539378927 GVJBIEULFHIHDX-ZWKOTPCHSA-N 448.495 1.991 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN(C)c1ccccc1 1540072049 JDBHIYMYLFFVRE-GOSISDBHSA-N 434.566 1.370 30 10 IDEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1541087571 LKJWZFIMLKMMPG-INIZCTEOSA-N 446.519 1.243 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1541106536 XXQAWAVDNBZSTD-IERDGZPVSA-N 434.541 1.197 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1541115843 FYUOZTNVSPITIZ-GOEBONIOSA-N 431.518 1.596 30 10 IDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1542224923 WNKWHCASQGEVDL-QRWLVFNGSA-N 449.556 1.753 30 10 IDEE CN(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1552874858 DLDOSHVXFYMVKG-UHFFFAOYSA-N 429.525 1.714 30 10 IDEE CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@H]1CCC[C@@H]1C#N 1560059919 AYDCTNBUOYSHPB-KDOFPFPSSA-N 440.953 1.923 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 1562465682 NMYCTAJWNJZMDH-HNNXBMFYSA-N 436.534 1.929 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)s1 1566385678 GXNWGWZIZFHNAX-UHFFFAOYSA-N 449.554 1.445 30 10 IDEE C=C(CCC(=O)OC)C(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1567893162 JUAIURNFMHPLCF-MRXNPFEDSA-N 425.526 1.908 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(O[C@H]2CC(=O)N2)cc1 1569001577 VEFGZHUOVOUBDM-IBGZPJMESA-N 428.470 1.369 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1588058727 BELYYUAEPKVMON-QGZVFWFLSA-N 447.536 1.113 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1588266303 OBZVKIHWTCJTSX-IRXDYDNUSA-N 430.578 1.799 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CCOCC2)CC1 1588848680 KVBQFHVVXLUXNT-HXUWFJFHSA-N 440.567 1.732 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@H](C)C2)CC1 1588884694 KOUJKJLQHBAPRC-MSOLQXFVSA-N 442.564 1.295 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)CN(C)C)CC1 1588954311 FESHIZHUEZLHQR-UHFFFAOYSA-N 437.592 1.818 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595577552 WWVKFLUOQZLZHJ-AEFFLSMTSA-N 440.504 1.402 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595595515 WYRNLFWQASDKFG-DLBZAZTESA-N 443.460 1.282 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595602088 DYJPALXAWJUKSG-YKTARERQSA-N 430.553 1.214 30 10 IDEE COC(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H]([C@H]2CCCO2)C1 1597116539 DLLHNUTXRBFXEV-FSPWUOQZSA-N 438.477 1.696 30 10 IDEE CCCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C#N)C1 1614988881 CIGRQOHNYJTLHX-MRXNPFEDSA-N 428.493 1.511 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)C1 1615972480 DWSURCYGUOWSIQ-GHTZIAJQSA-N 444.561 1.496 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN(C(=O)CCOc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1616328648 LMTNZVWVGFXVJP-KGVIQGDOSA-N 445.541 1.091 30 10 IDEE COC1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1619481812 MFZXDYDQAKSBBR-LEPAWZOPSA-N 425.530 1.827 30 10 IDEE CS(=O)(=O)CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1620161773 WGQKRQNCEQXISZ-UHFFFAOYSA-N 433.534 1.780 30 10 IDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1624893299 VDMKWTMALVVCNR-YFHOEESVSA-N 427.457 1.701 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)cc1 1625121045 CYHGIBMXIUCEOV-UHFFFAOYSA-N 425.510 1.959 30 10 IDEE C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1)C(=O)OC 1626187525 AKKPILYQWBMFRT-HOTGVXAUSA-N 436.306 1.804 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 1627689210 ZRESJTZEWODSPH-QFIPXVFZSA-N 439.493 1.468 30 10 IDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O)C(=O)OC 1629617008 DKFOVVSIWLKTDJ-QGZVFWFLSA-N 432.454 1.496 30 10 IDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)C1 1633212221 ABCHNNWDVPNENB-KNQAVFIVSA-N 441.557 1.995 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2c[nH]nc2I)C1 1638203677 UONBOMAYTOKYRA-SCZZXKLOSA-N 431.234 1.503 30 10 IDEE CC#CC[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1639840082 ISHMZMKBZHSEMW-NVXWUHKLSA-N 430.364 1.933 30 10 IDEE C[C@H](CC(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1)/N=C1/NS(=O)(=O)c2ccccc21 1640697171 BZEISJWESCXRRD-UWWQBHOKSA-N 429.546 1.765 30 10 IDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(CN=[S@](C)(=O)N(C)C)CC3)CC2)o1 1647833166 JYPGYKHVKKSUKH-PMERELPUSA-N 436.582 1.884 30 10 IDEE CC(C)(C)OC(=O)c1c(NC(=O)CNC(=O)c2ccc(C#N)cc2)nc2n1CCOC2 1648445504 FVWSQFPZMWLMPA-UHFFFAOYSA-N 425.445 1.609 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc1ccccc1S[C@H](C)CC#N)C2 1648576753 CZLOOOUEMATVGN-PBHICJAKSA-N 441.561 1.892 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1652736096 BNMFUODPKCOYPI-HXUWFJFHSA-N 439.534 1.253 30 10 IDEE CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cn1 1664772750 GSIDPLLKBLHIDS-UHFFFAOYSA-N 434.543 1.300 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)cc1 1666393589 NOWLTIAQEGDPGF-UHFFFAOYSA-N 432.506 1.485 30 10 IDEE C#CCN(C(=O)NCCN1CCC2(C1)OCCO2)C1CCN(C(=O)OC(C)(C)C)CC1 1685412458 IYJMOWRHCJOFET-UHFFFAOYSA-N 436.553 1.480 30 10 IDEE CCO[C@@H]1C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1Oc1ccccc1 1686175723 NEETVMHSQTWEDM-KURKYZTESA-N 425.445 1.012 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1689993409 CTLFVCHSMGQZFR-FQEVSTJZSA-N 441.557 1.864 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(CC(C)C)C1 1690019584 MNNQKZOVICFVFA-VQTJNVASSA-N 431.606 1.621 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NCCC 1690089714 KORHQJAHWWXEBJ-GOSISDBHSA-N 426.496 1.924 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1690102191 FICHXTGIOUAGFM-KRWDZBQOSA-N 446.552 1.715 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1690104031 KSFGWWZQCUMYMS-MRXNPFEDSA-N 429.912 1.807 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1690672712 AQSRWHSNFSWODZ-SFHVURJKSA-N 438.532 1.381 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCCC1 1692846048 RQAMLBAIJKQQHQ-ZDUSSCGKSA-N 445.549 1.613 30 10 IDEE Cc1ccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)o1 1693046011 FAQZZKXPSJXGOA-OAQYLSRUSA-N 441.513 1.904 30 10 IDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 1696198482 AVHHUGIGNFPFTI-UHFFFAOYSA-N 438.532 1.839 30 10 IDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(NC(C)=O)nc1)[C@H]1CCS(=O)(=O)C1 1705564516 BKMHGNLDAWDWFI-KRWDZBQOSA-N 428.518 1.184 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705565810 WJFSACZSGBRKLQ-MRXNPFEDSA-N 444.561 1.129 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1705597241 ZIKLDDQAJFFTOI-DLBZAZTESA-N 428.537 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1705649643 BTXWQYVRPWPBOD-GOSISDBHSA-N 433.578 1.164 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705705055 CHBDJUWZHBGCJZ-ICSRJNTNSA-N 437.610 1.977 30 10 IDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1705827176 XFCLLFNYQKASGX-MRXNPFEDSA-N 447.561 1.608 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705932203 OSUDDAMQZWGHJI-ZWKOTPCHSA-N 435.550 1.269 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1706072408 CMFMIOAGYJWTDO-CYBMUJFWSA-N 434.522 1.426 30 10 IDEE Cc1nnc(N2CCN(Cc3ccsc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707913987 XOVCTSWSETZNOQ-HNENSFHCSA-N 427.534 1.497 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCOCC2)CCOC1 1710456461 BIZBVUMZGLQYKI-SFTDATJTSA-N 436.532 1.485 30 10 IDEE CCOC[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1710780021 FSOADWFGJZFOJU-OVGZCAFISA-N 444.536 1.561 30 10 IDEE COCC1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712264595 BSMKKHZNQLNBPW-VZCXRCSSSA-N 437.504 1.729 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712603846 BCQYRWNSVIJNHQ-SESVDKBCSA-N 441.532 1.846 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1N1CCOCC1 1722353163 SGRNSUBHZFWIRN-MRXNPFEDSA-N 447.536 1.274 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1722364102 XIMMYCKONZSXLX-KRWDZBQOSA-N 446.529 1.380 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1722380536 PBXDPPHMFNLWOL-UHFFFAOYSA-N 445.527 1.570 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1722394490 ZGEQSHACBPZRQL-UHFFFAOYSA-N 425.294 1.742 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)CC)CC1 1722435765 OCAQLEHPTYVXIL-UHFFFAOYSA-N 438.557 1.683 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1722501692 GSNDLMXTGWESMG-YJBOKZPZSA-N 449.602 1.820 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1722582303 HFDSUTUGMXGQKZ-GJZGRUSLSA-N 426.587 1.453 30 10 IDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722613579 JMEZSYQWJZTWLM-UHFFFAOYSA-N 439.524 1.702 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(F)(F)F)CC1 1722700235 BTRPXPJQPDBASF-UHFFFAOYSA-N 443.499 1.620 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722728027 NBWRLWQDLOFIBX-KRWDZBQOSA-N 425.599 1.771 30 10 IDEE CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 1722786337 IBKDJLWHPIGHNY-DSGGYQJVSA-N 441.536 1.519 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)Cc1ccccc1 1723933259 DZQIQUNPEWWHEB-JXFKEZNVSA-N 449.556 1.462 30 10 IDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1728708483 BTZDVCXJRHAAJO-OALUTQOASA-N 440.504 1.947 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C1CC1)N(C)C 1730325094 FLNYDIZFESMRMF-ROUUACIJSA-N 426.521 1.935 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740624555 IBXCVUHVKSGNRX-OALUTQOASA-N 429.546 1.316 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1740627504 QWOQURGRGUSIFZ-HKUYNNGSSA-N 432.521 1.986 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)NCc2ccccc2)CC1 1740708568 ULWNGEDMUQZJNM-UHFFFAOYSA-N 448.571 1.903 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1740787057 YTHQJKLEDGNSPV-UHFFFAOYSA-N 427.571 1.413 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1740996772 RVXYVFXEJFCUKV-HUUCEWRRSA-N 440.599 1.241 30 10 IDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1741076413 HUFGUICPXYQYQB-IEBWSBKVSA-N 442.545 1.356 30 10 IDEE CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)N(C)C 1741421457 VDLANJVRIOTIOM-JKSUJKDBSA-N 429.525 1.711 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)CCOC1 1741713992 NUQIUYCBPZAANK-SIFCLUCFSA-N 433.513 1.045 30 10 IDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)c1 1742498345 FCCVPSYAWSDIIB-UHFFFAOYSA-N 440.533 1.104 30 10 IDEE CN(C)CCOCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1747601261 RWLUHWVOXRMGKC-UHFFFAOYSA-N 426.569 1.747 30 10 IDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1748802087 KVFXVSJKLUWFBK-LJQANCHMSA-N 436.626 1.056 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1748897118 UDBBNKALBYDVBR-QZQOTICOSA-N 449.540 1.623 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ncnn2C(C)(C)C)CC1 1749014680 LWBOGUOGJKZAGE-UHFFFAOYSA-N 426.569 1.837 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)C(C)(C)C)CC1 1749015487 XJSSNCWWYMQYTQ-UHFFFAOYSA-N 437.610 1.656 30 10 IDEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCNC(=O)CC1 1749048496 OKOYQENFPJPZJP-UHFFFAOYSA-N 429.546 1.949 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749655435 KYIXOYLXPQKASK-CRAIPNDOSA-N 447.561 1.512 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 1750381857 HZUOUHKDBQZGGV-HNNXBMFYSA-N 433.438 1.637 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(C)COCCO2)c1 1760127776 LYEWKTSUQQEDKG-QFIPXVFZSA-N 427.505 1.676 30 10 IDEE C#CCCCCn1c(N(CC#C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760142376 AUOIIZSSQBZBRO-GHTZIAJQSA-N 434.562 1.360 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760154122 ANCHJVCMAMWOMR-QRVBRYPASA-N 435.594 1.141 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1760289734 SFGBRFLXWIRZFO-XAUMDUMWSA-N 436.582 1.139 30 10 IDEE C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1760306190 DHPALXWTRIXEQP-CHWSQXEVSA-N 434.360 1.508 30 10 IDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760525512 IFBDDMRXTKLDRB-KRWDZBQOSA-N 442.549 1.038 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)CCOC1 1761292192 VZJWHONBZIWFAV-AVRDEDQJSA-N 446.552 1.354 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1761448330 ZDEFLSFNHJINBG-APWZRJJASA-N 447.561 1.882 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1766993605 AYGGMRZZJUMDRR-LAUBAEHRSA-N 445.545 1.921 30 10 IDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1767869130 IREGAXIOSKOSEY-KRWDZBQOSA-N 446.533 1.145 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCNS(C)(=O)=O 1768659291 CMCSNGNRSZZHHM-UHFFFAOYSA-N 425.518 1.321 30 10 IDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC[C@@]4(C3)C(=O)N(C)C(=O)N4C)n[nH]2)c1C 1849293388 TYKHJJUWLQODKS-OAQYLSRUSA-N 425.493 1.575 30 10 IDEE C=CCN1C[C@H](C(=O)OCCn2ncc3c(=O)n(CCc4ccccc4)cnc32)CC1=O 1849568898 CNUVCDIUDPJILG-GOSISDBHSA-N 435.484 1.413 30 10 IDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873562851 WGAFOVUYKGYCOF-UHFFFAOYSA-N 444.536 1.054 30 10 IDEE CC#CCN(CC(=O)N[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1900620500 KZCSRINKKZTWFX-NRFANRHFSA-N 425.526 1.735 30 10 IDEE CN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)[C@H](C#N)C1 2010545852 AFLXDXYKFMIJRC-XXBNENTESA-N 427.549 1.822 30 10 IDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243715627 BGCOFLZXCXLJCK-NSHDSACASA-N 427.332 1.657 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248400876 BXTJVHGBNIHTNV-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248403872 ITDQVURVBNZLPK-AWEZNQCLSA-N 446.375 1.618 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248406189 ZLRYOAHYVRDDST-GHMZBOCLSA-N 442.322 1.545 30 10 IDEE C[C@@H](COCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2248415052 UIKMDNRGCGOZRG-NSHDSACASA-N 442.347 1.128 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255610381 NLSKXEFZVOMDAM-UKRRQHHQSA-N 434.346 1.705 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2255655750 QMSIXHZBZHRTDQ-HIFRSBDPSA-N 434.346 1.752 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2255682531 IGPCFQYWEBJNST-INIZCTEOSA-N 434.342 1.910 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2255712190 JSXMBFJQPSYULP-ZIAGYGMSSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2255883058 ZQZMOVBYSNZLAR-HDJSIYSDSA-N 432.330 1.809 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2259355100 KFKFCDXMCIQHCH-STQMWFEESA-N 435.334 1.147 30 10 IDEE Cn1nc(C(=O)N2CC(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2267187297 WBRBIOKFXRPKNE-UHFFFAOYSA-N 446.357 1.658 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 2267187695 BOIOXDLJGNWYNE-GOSISDBHSA-N 435.337 1.569 30 10 IDEE CC1(C)OB(c2nccnc2C(=O)NC[C@@H]2COCCN2Cc2ccccc2)OC1(C)C 2267873146 NTHBNFSCEZURLE-GOSISDBHSA-N 438.337 1.407 30 10 IDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2300339875 KWSGATKGHPWRPI-GFCCVEGCSA-N 441.359 1.400 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2340994858 NBAXSOJGAVLCQA-OFQRWUPVSA-N 444.341 1.904 30 10 IDEE COc1cc(C=NNC(=S)NCCN2CCOCC2)ccc1OC(=O)c1ccco1 254415045 LKDXORVYEPNMHJ-UHFFFAOYSA-N 432.502 1.638 30 10 IDEE N#Cc1ccnc(-n2cnc(I)c2I)c1N 304432048 RFUONENSPPRKBY-UHFFFAOYSA-N 436.982 1.930 30 10 IDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 460779795 DYOJVHBSZBTACO-HXUWFJFHSA-N 437.548 1.817 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 463081789 FZWSKKAHGKYYMY-JPYJTQIMSA-N 429.517 1.834 30 10 IDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)c3cnc4n3CCC4)c(C#N)c2N)cc1 475534277 UGLQETKLRYUHGH-UHFFFAOYSA-N 425.518 1.688 30 10 IDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 487445735 NPWGZCRQTLARTA-HUUCEWRRSA-N 439.497 1.140 30 10 IDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 504018931 GOXQQBGQFVSJKQ-UHFFFAOYSA-N 442.541 1.740 30 10 IDEE N#CCC1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 543839368 JDJSRVTVGUKBEW-UHFFFAOYSA-N 442.335 1.955 30 10 IDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 549248613 VGXLIPAOUKZXIK-FQEVSTJZSA-N 446.596 1.761 30 10 IDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCO3)CC2)n1 549497803 TVZCNCCHHXEOAD-QZTJIDSGSA-N 425.493 1.138 30 10 IDEE COc1ncccc1CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 550919808 DFIFQQJZKISACR-UHFFFAOYSA-N 430.468 1.475 30 10 IDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 555255540 IERUKWDZTVHCJM-MRXNPFEDSA-N 426.525 1.488 30 10 IDEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 582153273 MNVWXERUIKJCNX-QUCCMNQESA-N 434.468 1.676 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC)CC1 583487895 UARSWDBNDYNYOJ-KRWDZBQOSA-N 427.571 1.440 30 10 IDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 586863517 PZCLJVDFDQMZLB-KRWDZBQOSA-N 436.509 1.167 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccnc3N3CCC(C(N)=O)CC3)cc2C1=O 591210146 XIHPVZADTRBTDQ-UHFFFAOYSA-N 447.495 1.495 30 10 IDEE CC1(C)OB(c2cnc(N3CCC(C(N)=O)CC3)nc2OCC(F)(F)F)OC1(C)C 725403433 RVWWYBVOIIYULR-UHFFFAOYSA-N 430.236 1.419 30 10 IDEE COC(=O)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Cc1cccc(F)c1 729977229 PPVGSWXKFYFZDN-HNNXBMFYSA-N 447.488 1.402 30 10 IDEE C[C@H](C(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)n1cccn1 732707179 VKZQZPWMYFCUCL-BEFAXECRSA-N 435.488 1.220 30 10 IDEE C#CCN(C(=O)c1ccc2ncc(I)n2c1)[C@@H]1CCS(=O)(=O)C1 749355960 RWNYEEDTULJKJG-GFCCVEGCSA-N 443.266 1.201 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@]2(C)CCCO2)cn1 756081125 PWYFUGYEFRYPMR-KKSFZXQISA-N 449.577 1.659 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C#N)s2)c1=O 758067329 NWJCXUFAMPRWAU-UHFFFAOYSA-N 431.498 1.871 30 10 IDEE CN1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1 761055460 KCTJNMLRWUJJBY-QFBILLFUSA-N 432.933 1.940 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@H](NC(N)=O)C2)c1 762944923 CWXBAFZNUUGGQU-ADSWHHSESA-N 436.538 1.554 30 10 IDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(Cc3ccon3)c2=O)cn1 765146909 YNKRTUCVIZAJOC-UHFFFAOYSA-N 445.504 1.939 30 10 IDEE C=CCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[C@@H](Cc1ccccc1)C(=O)OCC 781157401 CUOUPAKKXGCIGI-HSNDNRACSA-N 425.485 1.286 30 10 IDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(S(C)(=O)=O)cc1 789965440 AREYMPDDLFQYMP-ZDUSSCGKSA-N 434.547 1.566 30 10 IDEE C=CC[C@]1(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790323657 CBYVWSKTGYIRGH-DNVCBOLYSA-N 430.571 1.364 30 10 IDEE C#CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC)[C@H]1CCS(=O)(=O)C1 812041672 ZNAFHKPTFBIQBO-KRWDZBQOSA-N 429.550 1.099 30 10 IDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812425741 SEYAPKPDUXXSOU-NVXWUHKLSA-N 444.513 1.337 30 10 IDEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 916774918 GOVMJDHAVJTMOG-UHFFFAOYSA-N 441.918 1.722 30 10 IDEE CCCC(=O)O[C@]12[C@@H](O)[C@H](C)[C@]3(O)[C@H](C=C(CO)C[C@@]4(O)C(=O)C(C)=C[C@@H]43)[C@H]1C2(C)C 1073349393 FZXHDWWEDNRATG-WGYFCBQISA-N 434.529 1.281 30 10 IDEE COc1cccc([C@H](C#N)NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)c1OC 1127854160 NCUXKJVNNQQTGT-WFASDCNBSA-N 435.527 1.986 30 10 IDEE Cc1nn(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C#N 1130753283 BAHYQLMZJFWMFT-UHFFFAOYSA-N 445.501 1.411 30 10 IDEE CN1CCN(C2CN(C(=O)[C@H]3c4ccc(C#N)cc4CCN3C(=O)OC(C)(C)C)C2)CC1 1139589621 HXHWIWVHIOGGSC-OAQYLSRUSA-N 439.560 1.851 30 10 IDEE N#Cc1cn(CCC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c(=O)nc1O 1143409467 HKOQBAIKZOQTOM-OAHLLOKOSA-N 433.262 1.573 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CC1)C1(CO)CCOCC1 1143888198 JBJZREGBOJQNEZ-LJQANCHMSA-N 435.546 1.189 30 10 IDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1144923171 OJAIMGATSMDNKH-QGZVFWFLSA-N 436.530 1.139 30 10 IDEE C[C@@H](CC(=O)NCc1c(C(F)(F)F)cnn1C)/N=C1/NS(=O)(=O)c2ccccc21 1148921518 UISBLVLHNRDFHO-JTQLQIEISA-N 429.424 1.572 30 10 IDEE CCOC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)c(F)c1 1154565550 FVHWLWFVNQUGFK-IBGZPJMESA-N 449.460 1.405 30 10 IDEE C#C[C@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1161393261 NDAVNZORNBMBRD-KRWDZBQOSA-N 428.466 1.733 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ncn(C)c2Br)ccc1F 1179247252 LHAIOJDOPWFIQE-UHFFFAOYSA-N 445.314 1.759 30 10 IDEE C#CCN(C(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2)[C@H]1CCS(=O)(=O)C1 1219944635 KOXLXDMBFLKMFT-SFHVURJKSA-N 427.530 1.553 30 10 IDEE C#CC1(O)CCN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CC1 1228392124 WDCQFIDOKFYWGM-UHFFFAOYSA-N 426.561 1.528 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnn(CC)c2)CC1 1286473508 NWWXNSKZEIJJGW-UHFFFAOYSA-N 435.532 1.982 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1286476620 ATDRYIFVSHJLRT-KDURUIRLSA-N 425.581 1.916 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)C(C)C)CC1 1286491229 JKLXWJQTJMYPRA-UHFFFAOYSA-N 437.548 1.002 30 10 IDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1286499771 KRYZBDISWJEXAN-OAHLLOKOSA-N 447.586 1.382 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)CC1CC1 1286515595 JNARVUQWVKIYMO-RTWAWAEBSA-N 436.578 1.747 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCO2 1286781543 TUIBAZTWTYGHRB-UHFFFAOYSA-N 449.471 1.593 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCO[C@H](C)C2)C1 1286808526 LVAHQFYKBIXMRR-GUDVDZBRSA-N 432.569 1.511 30 10 IDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1286863698 GEKAVHQMORQFKX-PMERELPUSA-N 426.546 1.786 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)cc1 1289826746 ADCIMWIJGXEINO-LJQANCHMSA-N 436.472 1.804 30 10 IDEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)n1 1290952298 CIRWCPHDXQCOMM-KRWDZBQOSA-N 441.517 1.764 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](COCCOC)C1 1295056399 BTHKRXACDCBLMP-GOSISDBHSA-N 426.521 1.784 30 10 IDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1296240450 HZDDSULHKMGRPE-AWEZNQCLSA-N 439.520 1.479 30 10 IDEE CCOCc1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297308953 GZKFKIPHPIFKIA-DVSFIDLUSA-N 429.525 1.016 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1300430085 HANANBSSPSGPMN-GJZGRUSLSA-N 440.570 1.357 30 10 IDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300484746 RXHIYCIORZKCFQ-IRXDYDNUSA-N 437.566 1.613 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nnc(C)s2)CC1 1300723657 YUGDMFZXHIZPJO-UHFFFAOYSA-N 436.545 1.823 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCOCC)CC1 1300730864 GDSBGWUYJWYEBY-UHFFFAOYSA-N 429.496 1.999 30 10 IDEE COCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CCC1 1301142824 IFEKLPFBROZIKD-JKSUJKDBSA-N 440.570 1.024 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1301515775 ZDRYAZVGJZMMIP-UHFFFAOYSA-N 432.456 1.187 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301593970 ZEWDTIUMWCUKDV-BXWFABGCSA-N 428.555 1.188 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596039 FYWNTOMEIHSKSV-YLJYHZDGSA-N 442.582 1.535 30 10 IDEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301924157 HABINLIXESBBMH-MRXNPFEDSA-N 446.519 1.243 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1304903261 HCWZVKNQEVFESW-OAHLLOKOSA-N 442.545 1.451 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 1311890424 XFIZLTRFNDQFNC-AWEZNQCLSA-N 432.468 1.431 30 10 IDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1313097335 NCXMVCDKWMOFQL-HNNXBMFYSA-N 444.351 1.503 30 10 IDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1313488190 CMBYQVZKLYXHNW-FQEVSTJZSA-N 437.548 1.644 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1316285706 SCDVOOKDHPFIDK-NTLWEQJWSA-N 434.516 1.703 30 10 IDEE COC(=O)c1coc(C(=O)/C(=C(/S)NC2CCN(C)CC2)[n+]2cc(O)ccc2C)c1 1318295233 MZQUFCARARSYCB-UHFFFAOYSA-O 432.522 1.990 30 10 IDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1358918857 JFGGRPFOLFUEMY-UHFFFAOYSA-N 440.470 1.822 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358965678 ZFCWSMDVXVTMQH-HKUYNNGSSA-N 429.546 1.317 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2ccnc2)c1 1358981406 IRLPKSGVBQBVQJ-UHFFFAOYSA-N 427.512 1.766 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1359010141 HMGVFRNQDWDIRF-YJBOKZPZSA-N 427.596 1.356 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)N(C)C)CC1 1359028802 FAEWAYFIKYCZEZ-KRWDZBQOSA-N 443.983 1.567 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)N2CCOCC2)CC1 1359043657 CKZGWROFFSACHB-UHFFFAOYSA-N 439.564 1.350 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1359093070 JTAYXSOEXXPENW-PKOBYXMFSA-N 449.581 1.121 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1359231137 OQINOKFDGAJKEQ-GUYCJALGSA-N 447.483 1.961 30 10 IDEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359289803 LZUDSBMKZAGAQC-UHFFFAOYSA-N 430.484 1.756 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359298156 PBHGOQDWFBYZLR-KRWDZBQOSA-N 448.531 1.490 30 10 IDEE C#CC[C@H](COC)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1454351931 AWHYSWMGXKJEST-ZHRRBRCNSA-N 449.507 1.924 30 10 IDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1462630217 NCDQBJHTBCOBSC-CQSZACIVSA-N 447.517 1.420 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C[C@H]1[C@@H]1CCCO1 1465872461 OBPXROYCKMQBFE-BZSNNMDCSA-N 434.537 1.766 30 10 IDEE C#CCNS(=O)(=O)N1CCN(c2ncncc2-c2ccc(Br)cc2)CC1 1472863295 NOFCCWUIHRNBLE-UHFFFAOYSA-N 436.335 1.496 30 10 IDEE Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492926986 MWIZDAQADMIDGI-HNENSFHCSA-N 427.534 1.497 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC[C@H]2CCOC2)c1 1505317264 KSRZHGKEKFDVED-GOSISDBHSA-N 445.545 1.495 30 10 IDEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1507568995 VESPBKWSHCKYHZ-UHFFFAOYSA-N 444.580 1.178 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCCCCO)CC1 1507723753 SZRLADPJBCHNDR-UHFFFAOYSA-N 449.559 1.593 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1507737786 FIERCDPMUKJUFU-ICSRJNTNSA-N 435.532 1.682 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507753179 KKCGSTWEGGHQEK-OAQYLSRUSA-N 443.577 1.252 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1507818755 NSDWZVCGJFHHEV-KPRXVCGWSA-N 446.596 1.902 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 1507956553 BKEXXAJZYJEPQM-KRWDZBQOSA-N 427.509 1.039 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508093823 XCRKAYWNEYACAW-LJQANCHMSA-N 440.548 1.881 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCO[C@H]3CCOC3)CC2)c1C#N 1511663345 FLFGZBRNCSETIF-SFHVURJKSA-N 442.568 1.837 30 10 IDEE Cn1ncc(CCCn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)n1 1517422353 HSFPZZUMIBQRPW-INIZCTEOSA-N 426.456 1.486 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC(C)C 1517465503 AOQHVVXXZCWMQO-HNNXBMFYSA-N 427.509 1.072 30 10 IDEE Cc1ccc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1C#N 1537727274 MGIDKXFZWMLDCX-DYESRHJHSA-N 433.530 1.765 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539219249 BPGBOVJDTNVYPH-JKSUJKDBSA-N 433.534 1.316 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539466550 BIVOILFHTIKGDW-UHFFFAOYSA-N 449.621 1.899 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1539873701 BHLNHQDYPGAYHI-VLIAUNLRSA-N 436.582 1.302 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1539953017 NONCRTGSNKMUJS-MRXNPFEDSA-N 448.597 1.670 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1540866999 HJYQEUBOSMUNCH-UHFFFAOYSA-N 445.483 1.674 30 10 IDEE CC(C)OC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541742204 FOCSODNWPQVEPK-XOMICKMZSA-N 444.536 1.702 30 10 IDEE CN1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1554364172 DABKVNCLAMQPPK-FQEVSTJZSA-N 441.555 1.763 30 10 IDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1554405724 GYFCLEYBEHZDKY-HSZRJFAPSA-N 448.531 1.781 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OC)c1OC 1555671302 QCEFFXMCZQYSFU-RDJZCZTQSA-N 431.493 1.796 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555793914 CWUFYCGAKUZLML-QFPXGYFVSA-N 448.549 1.085 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1555811173 VZVLUUJMJZHEJB-UHFFFAOYSA-N 437.485 1.411 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 1556503971 FMNLRLVZVDXWCO-UHFFFAOYSA-N 440.544 1.487 30 10 IDEE C[C@H](CCN1CCN(C)CC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1567821755 WJVHQQICEJCPTI-VITVIVDCSA-N 433.597 1.915 30 10 IDEE C=CC[C@H](CO)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1568313680 VLPGFLMWGYFWFH-CYBMUJFWSA-N 444.326 1.802 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1 1586642731 GFUGKQVFWNQYNV-UHFFFAOYSA-N 445.497 1.633 30 10 IDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OC 1587305231 FQGYOACXQWLXIE-VIFPVBQESA-N 425.326 1.413 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1587638084 BHPNMPUYUQHURP-YJBOKZPZSA-N 433.534 1.576 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCS(=O)(=O)C1 1588030220 RDSGCBAVXZLFKP-NVXWUHKLSA-N 442.607 1.243 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 1588045959 USCWXRZFWCEUIT-QGZVFWFLSA-N 436.559 1.007 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588049593 IYZWREZICYDDPP-FUHWJXTLSA-N 433.582 1.036 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1588105382 WJXLBGJNMNDAIO-JOCHJYFZSA-N 443.555 1.832 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)CC1 1588769273 QVJMCRNTRKJPCL-UHFFFAOYSA-N 426.477 1.150 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H]2COCCO2)CC1 1588929749 FWRVOEOZAZXZCF-MOPGFXCFSA-N 431.537 1.291 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCOC2)CC1 1594241403 PFYNIDVCNXRXFP-SFHVURJKSA-N 437.566 1.360 30 10 IDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1594825019 UIXNFUSGCVCBGB-FQEVSTJZSA-N 437.566 1.008 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(S(=O)(=O)CC)CC1 1595529714 FENGSSFRMBLJMF-UHFFFAOYSA-N 432.550 1.354 30 10 IDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1595593869 JMIVGROSUUAXOT-INIZCTEOSA-N 428.562 1.848 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1595602257 IBDDVKMLCDLSDV-GPMSIDNRSA-N 432.569 1.591 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC=C(Br)C1 1595788655 FQELVJASLFKJAV-ZDUSSCGKSA-N 444.355 1.319 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1595805890 XNHKJIJLYLODNU-UHFFFAOYSA-N 439.626 1.769 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1=CCCOC1 1611664317 BOYOFKOGHSWDCD-OAHLLOKOSA-N 430.534 1.743 30 10 IDEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NC(=O)N5CCOCC5)CO[C@@H]34)n2)c1 1616132247 LRIHDQKTFJAFSC-FUMNGEBKSA-N 436.472 1.004 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1conc1COC 1617292890 GYMXIBWQLFPXAU-UHFFFAOYSA-N 444.517 1.870 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1617677889 FUKZQAHGIDVXFW-IBGZPJMESA-N 436.564 1.961 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1617734696 FMMKCBZPELPXMP-HNNXBMFYSA-N 425.461 1.722 30 10 IDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(N(C)C)CCSC2)CC1=O 1618475928 GKGVAXNEUNFLJX-OAQYLSRUSA-N 425.562 1.532 30 10 IDEE COC[C@]1(C(=O)OC(C)(C)C)CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 1620463943 ZTTLBJKIOQDTHM-QHCPKHFHSA-N 428.485 1.345 30 10 IDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)C(=O)OC 1622450325 OYSBLTGVCAPUDG-QGZVFWFLSA-N 444.575 1.956 30 10 IDEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)C(N)=O)c1 1626713243 DZPVCLWJWVCGSJ-KRWDZBQOSA-N 437.905 1.297 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1627010911 GWWVNCGAEOOGGH-YXJHDRRASA-N 448.545 1.693 30 10 IDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)CC1 1632623662 HQWAEFFDUKNYSA-FDDCHVKYSA-N 432.565 1.450 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1Cc2cccnc2NC1=O 1633562395 PBTHUAVTUDSAQT-MRXNPFEDSA-N 441.513 1.360 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OCC)[C@H]2CCCOC2)s1 1633782205 NZOFWLCHLLVWLZ-GUYCJALGSA-N 430.548 1.229 30 10 IDEE C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1635753423 WJYMFCCYYKIJSE-QGZVFWFLSA-N 435.546 1.590 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CC12CCC2 1636504959 GXFPRWKWEFHZFT-HNNXBMFYSA-N 431.493 1.649 30 10 IDEE Cc1ccc(OCc2nc(CC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cs2)cc1 1637512676 BEAPFNPLRABZJE-UHFFFAOYSA-N 437.481 1.791 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1645244262 HPRZAYHMWAIOAS-DLBZAZTESA-N 438.550 1.415 30 10 IDEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 1650833184 RIGQMZRTMIMTMD-FCLXEUQJSA-N 429.502 1.854 30 10 IDEE CC(C)C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 1683561522 WNEGAYRWTWAGTD-PMACEKPBSA-N 441.532 1.232 30 10 IDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1689875449 RSGRRWCRVCQXAM-UHFFFAOYSA-N 425.493 1.024 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689987771 BYGFLBKGPYWELO-GOSISDBHSA-N 441.561 1.885 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1689989853 JDNKGJVUZQSCBZ-CVEARBPZSA-N 449.602 1.670 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C[C@@H](C)SC)CC1 1690122429 QPYYTAPXPXYOON-MRXNPFEDSA-N 437.573 1.699 30 10 IDEE C=C(C)CN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690271508 RQRRASOBBACFRW-FQEVSTJZSA-N 438.525 1.948 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1690288146 KDFYLWCNJMBHMU-IAGOWNOFSA-N 439.582 1.319 30 10 IDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCS2(=O)=O)CC1 1690396884 OYLHETAXLBVYJQ-UHFFFAOYSA-N 445.549 1.363 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1690609152 FIBNHQJDWBRVKB-UHFFFAOYSA-N 436.557 1.922 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690668573 APWZMDRBMCTKIB-QGZVFWFLSA-N 425.537 1.836 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690671537 YHYDFFSWKYYFDG-QGZVFWFLSA-N 429.525 1.093 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1692583733 OJZVPXBMUYHFNA-YPAWHYETSA-N 430.553 1.927 30 10 IDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1694409542 ARANSTXLWHBUFC-IBGZPJMESA-N 426.521 1.709 30 10 IDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1696470415 BJVUKOQTNUZXCC-GOSISDBHSA-N 433.534 1.493 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCCn1cc(CO)nn1 1696676109 ALQXQCWUUIOWRZ-UHFFFAOYSA-N 431.504 1.966 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1705598197 DFYZOAPHJMVPEW-FQEVSTJZSA-N 439.585 1.952 30 10 IDEE C#CCSCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1705657044 QUWOZXFMVDCTGB-IBGZPJMESA-N 436.541 1.811 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705663079 VVMFYIMVDLAXFJ-UHFFFAOYSA-N 439.545 1.151 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1705693149 CCVYRUWYGSEZGO-SJLPKXTDSA-N 439.520 1.608 30 10 IDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1705867060 GXAFNGTXVMUESO-SLFFLAALSA-N 427.553 1.939 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1705906021 PDLCJNCSJMDWHH-UHFFFAOYSA-N 435.532 1.711 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1705946450 ICPHVNUZNOMQDD-MRXNPFEDSA-N 441.623 1.548 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)C1 1706932906 SSGIXJGUPGFRAP-OAQYLSRUSA-N 425.493 1.554 30 10 IDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1711355429 BHJBCRVAKHSNSC-UHFFFAOYSA-N 439.520 1.169 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N1CCSCC1 1722275316 BBWHTCGUQDINBI-INIZCTEOSA-N 449.602 1.790 30 10 IDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722332720 CKKBEJUWTCGMGM-SFHVURJKSA-N 428.537 1.204 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCS(=O)(=O)C1 1722385571 IVKVEFPUHLIKCB-SFHVURJKSA-N 442.541 1.763 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](SC)C(C)(C)C)CC1 1722431314 JHSMGSLCUCAGNW-HOTGVXAUSA-N 442.655 1.421 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)C(C)C)CC1 1722436525 AOHVKVGZUNDHBQ-REWPJTCUSA-N 425.533 1.953 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2CC)CC1 1722447517 IYOOZTUMULGAKC-UXHICEINSA-N 428.581 1.622 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OC)nc2)CC1 1722448841 ZMACBESRYRYBCP-IBGZPJMESA-N 438.532 1.937 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 1722458556 MXKLDSNZTKHQIA-MRXNPFEDSA-N 426.550 1.021 30 10 IDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1722460441 FYMNNFYKHFHURK-FQEVSTJZSA-N 443.573 1.925 30 10 IDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC)C1 1722461985 KTARUTGGBKMHRW-HNNXBMFYSA-N 446.602 1.598 30 10 IDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722463311 XRLKBPHCOBWNOA-UHFFFAOYSA-N 448.618 1.396 30 10 IDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1722535208 BIMMAGCRWMGTBG-OAQYLSRUSA-N 443.596 1.891 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C(C)C)C1CC1 1722650438 APURDKUNZSPYLT-VQIMIIECSA-N 427.571 1.173 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722698726 LACWSDXEGGIBSX-KRWDZBQOSA-N 429.525 1.011 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722700628 OFNAZDPMSLWGFB-OALUTQOASA-N 429.496 1.694 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722729837 YLWNFNBZOAPHPA-HNNXBMFYSA-N 445.467 1.632 30 10 IDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1728672483 GIOGLYPJUAKKGB-IBGZPJMESA-N 439.520 1.474 30 10 IDEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1729339503 KFNSTKATHLANSZ-QGZVFWFLSA-N 428.493 1.023 30 10 IDEE CN(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1729340149 FQPQCXGSBKCPMH-UHFFFAOYSA-N 429.525 1.714 30 10 IDEE Cn1nncc1Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1729607092 VVSXTBUTQDLPHT-ZDUSSCGKSA-N 429.282 1.613 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1CCS(=O)(=O)CC1 1730931730 AIQJWWJDNFZTMX-PVAVHDDUSA-N 425.555 1.423 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2F)nnc1N1CCS(=O)CC1 1731216595 YDQXZDKRQWJJIO-ZPHPHTNESA-N 444.492 1.179 30 10 IDEE C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 1740574963 PHGJSKRSVAIWKS-QGZVFWFLSA-N 448.568 1.962 30 10 IDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740613772 SUZWQYDRGOCOQF-GOSISDBHSA-N 431.562 1.825 30 10 IDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1740620052 SUVRSXNAQMQGGJ-OXQOHEQNSA-N 434.518 1.198 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1740621002 ZEYYEAKAQMVHHP-QGZVFWFLSA-N 445.545 1.105 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1740657588 TWYHQBLZLMEPGI-ZWKOTPCHSA-N 440.525 1.483 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CCOC2)CC1 1740698737 UXTOJXWRTUVRKA-FQEVSTJZSA-N 446.349 1.614 30 10 IDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740885545 JCLNQVZBUASYNX-DLBZAZTESA-N 432.569 1.953 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)C1 1740982919 YLPQDDNAQDCRRD-QZTJIDSGSA-N 437.610 1.836 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CC(=O)NC)CC1 1740989675 UYWYJQGZCJUBMK-UHFFFAOYSA-N 432.550 1.293 30 10 IDEE C[C@H]1COCCN1CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1743361874 DYGHYEBVAKSNOL-MAUKXSAKSA-N 448.474 1.996 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1748808598 LXLIBZLXAJESAR-UYAOXDASSA-N 442.541 1.926 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)C(=O)NCC2 1748875109 JTHIMZLGUSRCIT-UHFFFAOYSA-N 430.512 1.311 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ncc(CC)s2)CC1 1748988808 BSUHUWBFMGPXNL-MRXNPFEDSA-N 448.618 1.197 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccco2)CC1 1749009278 HHTJSQNUQJAEHU-JTSKRJEESA-N 427.505 1.249 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749097711 HUZLZQXXCWEWRC-ZDUSSCGKSA-N 446.371 1.541 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)c1ccsc1 1749489189 SBYGZSVSQJKLEB-CRAIPNDOSA-N 441.579 1.202 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(Cc2cscn2)CC1 1749738712 VSAVMXLHTIVNHC-UHFFFAOYSA-N 436.607 1.610 30 10 IDEE CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CC=CCC2)C1 1750209397 GEEKDERSNZENBX-ROUUACIJSA-N 434.566 1.707 30 10 IDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1750215408 YTCZNSOQDRWKRP-UHFFFAOYSA-N 444.561 1.763 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1751171715 FUBZVOGWIUHZDE-GMYLUUGSSA-N 435.575 1.597 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(C)C)nc1 1752269829 AQBTZMAJKJJKKB-MRXNPFEDSA-N 430.516 1.993 30 10 IDEE C#CCN(c1nnc(COCC)n1Cc1nc(C2CC2)cs1)[C@@H]1CCS(=O)(=O)C1 1760192029 CUMLWFQMPLBWPH-OAHLLOKOSA-N 435.575 1.824 30 10 IDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760207155 YSZNVPIZKKDLPR-HXUWFJFHSA-N 425.558 1.418 30 10 IDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1760227396 DEJMEQHVSPNNFD-JOCHJYFZSA-N 429.496 1.959 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1CCOC1 1760245273 YFFWQWPHTPFPOU-KRWDZBQOSA-N 432.546 1.861 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CCC(=O)N2)CC1 1760255982 JLSTYVVXHNEWEE-MRXNPFEDSA-N 428.924 1.641 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)OC)CC1 1760265594 FMIKBPCUXJSHCW-JTSKRJEESA-N 433.553 1.319 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760271848 OMQJLVCASUEISZ-RBUKOAKNSA-N 443.573 1.436 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760525774 QTYXLXUMQROCAI-LJQANCHMSA-N 447.547 1.461 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760528259 XFVUHDYRIYNICS-MRXNPFEDSA-N 442.495 1.500 30 10 IDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1760813169 HWJOXDAMZAZHQG-RNODOKPDSA-N 435.504 1.974 30 10 IDEE CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1760847542 WAEFHVIVAFHUBQ-OXQOHEQNSA-N 436.582 1.473 30 10 IDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)COCCO1 1761569337 KDYWAMVEUKWRSD-QFIPXVFZSA-N 440.504 1.093 30 10 IDEE CCN(CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1766690099 SATDFBXAIJEAIG-SFHVURJKSA-N 438.598 1.279 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2)C[C@H]1O 1767920077 MFXRXIMUWXUMSM-RTBURBONSA-N 448.483 1.629 30 10 IDEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1768609702 CWZJPPANYLREEN-UHFFFAOYSA-N 443.451 1.755 30 10 IDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1770962068 ZKCNUMCNUZMBHJ-PMACEKPBSA-N 443.504 1.386 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1772566364 GCMGPOIVPYJNKG-IKGGRYGDSA-N 445.568 1.053 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCOC1 1772660146 QECMOPHPDPQCRQ-INIZCTEOSA-N 448.545 1.790 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)CNC(=O)c3cccc(Cl)c3)CC2)nc1 1851215964 RZAHJOTXMMTZIA-UHFFFAOYSA-N 427.892 1.702 30 10 IDEE C[C@H]1COc2c(C(=O)O[C@H](COc3ccc(C#N)cc3)CN3CCOCC3)cnn2C1 1852505988 UOVCNWCQULSMKN-APWZRJJASA-N 426.473 1.720 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=NOCCCN2CCN(C)CC2)c2cccnc2)c(C)c1 1853554198 BMXJEJOWXNFFPU-UHFFFAOYSA-N 445.589 1.993 30 10 IDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(=NOCCN1CCOCC1)C1CC1 1853593675 DZWDIJXXEIJCIP-UHFFFAOYSA-N 425.507 1.132 30 10 IDEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 1891443993 VNWSNXNFIWYBSR-UHFFFAOYSA-N 430.468 1.884 30 10 IDEE C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(C)=O)C[C@]57[C@H]2[C@H](O)[C@H]1[C@@H](OC(C)=O)[C@]3(O)[C@@H]7N4C6 2058717356 OGNUSOJAYIHLNS-GYKPYZNVSA-N 429.513 1.021 30 10 IDEE Cc1cc(C#CCO)c(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)s1 2229364010 UVWPALKJRDHZCN-UHFFFAOYSA-N 432.523 1.506 30 10 IDEE C=C(CS(=O)(=O)N1C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2247961656 HXELMUMDTSKOHY-AAEUAGOBSA-N 440.293 1.893 30 10 IDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248412581 LSYDVRLZXMJGBI-YPMHNXCESA-N 441.359 1.333 30 10 IDEE Cn1cc(C(=O)N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255653970 QBDURTUXGDFRIZ-ZIAGYGMSSA-N 434.346 1.895 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 2255665468 GTYCCTDZIAJYLS-ZDUSSCGKSA-N 435.334 1.244 30 10 IDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 2256622943 NNJGXVXTHJZNQJ-HNNXBMFYSA-N 436.314 1.819 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2256624126 USMIJCPJUAHJOY-MRXNPFEDSA-N 434.342 1.878 30 10 IDEE C[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C[C@H]1NC(=O)C(F)(F)F 2267126440 AWIRGCSAHSNJSY-DGCLKSJQSA-N 444.263 1.248 30 10 IDEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C[C@H]1CNC(=O)OC(C)(C)C 2267184595 NLEUNTPTDNJIRJ-HUUCEWRRSA-N 448.373 1.952 30 10 IDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)C(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C 2268651535 OWSHHBFFMQVCTN-INIZCTEOSA-N 449.357 1.924 30 10 IDEE C=C[C@]1(C)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270520525 CVBPRCOIUBTICM-QFBILLFUSA-N 426.491 1.061 30 10 IDEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](CO)C(=O)O)ccc3C2=O)c(OC)c1 2297471977 NHKXEGGEUASAKO-INIZCTEOSA-N 443.408 1.261 30 10 IDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2301661799 KXHRPCLGCSQTJO-GFCCVEGCSA-N 441.359 1.712 30 10 IDEE CC(C)(C)OC(=O)N1CCN[C@@H](CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2303485863 XSRCLGCDHNUANA-PMACEKPBSA-N 427.549 1.822 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2310284135 MXOFFPUHNVEDPR-AEGPPILISA-N 430.314 1.970 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2315611884 SMNFBWZMULIJFN-UONOGXRCSA-N 432.330 1.553 30 10 IDEE COc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)NCc1ccco1 2330747898 HSEQJZSXMBITAO-UHFFFAOYSA-N 442.501 1.807 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2334263042 FUBDVHUIVPNABG-DGCWBMGLSA-N 448.329 1.263 30 10 IDEE C=CCNC(=O)Cc1cc(O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)n1 22628845 UAWZDUUJIHUQFY-UHFFFAOYSA-N 427.530 1.468 30 10 IDEE C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 96965922 HBHYCZCWFMWPKS-AWEZNQCLSA-N 432.468 1.772 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)sc2Cl)CC1 433621176 GGVMDNIWNLAROT-UHFFFAOYSA-N 442.788 1.773 30 10 IDEE CSc1nc(O)c(C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1C#N 434506591 VSZVRYHJFXUEFT-CYBMUJFWSA-N 438.465 1.518 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440373759 IYRNXCVMSHFHAT-UHFFFAOYSA-N 429.461 1.265 30 10 IDEE N#CC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 442715626 AJXIMPUAADDGTR-UHFFFAOYSA-N 435.506 1.941 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(Cc4nnc5n4CCCC5)c3)cc2C1=O 446985219 RFNWDKZAWQQDPD-UHFFFAOYSA-N 431.456 1.894 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 478746966 OIZWYIRSJGZHNJ-UHFFFAOYSA-N 440.569 1.145 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C(C)(C)C)cn1 479815978 REUKJNZWRFUBJF-GHTZIAJQSA-N 435.532 1.724 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481983978 UEWUOLNHYSQBCO-OAHLLOKOSA-N 442.566 1.441 30 10 IDEE CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 486642835 AYDNVCWNHQYBGJ-UHFFFAOYSA-N 446.570 1.512 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CC1 500799345 GUXXBUIQCOUNBM-UHFFFAOYSA-N 437.422 1.657 30 10 IDEE N#Cc1cccnc1N1CCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 506890564 CJSBUGVVWURBHB-UHFFFAOYSA-N 438.576 1.763 30 10 IDEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508491465 GIHYYFWFRQYZPW-UHFFFAOYSA-N 428.924 1.636 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 510634737 MYMBMTJPJHNKSA-SFHVURJKSA-N 443.525 1.561 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)c2)c1 520459722 FPWPEBCYVHFCJT-QFIPXVFZSA-N 447.491 1.355 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 546223438 KFHWOPAAJFQXDF-MRXNPFEDSA-N 442.545 1.796 30 10 IDEE C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549675820 SBTRTTSWUVARIK-UHFFFAOYSA-N 442.539 1.565 30 10 IDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SCC)C1 572388221 RMJICKVQJBZIHT-HOTGVXAUSA-N 429.612 1.909 30 10 IDEE N#Cc1c(F)cccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCOC2)CC1 576762578 IOIACXYNGMTFBL-JXFKEZNVSA-N 442.495 1.740 30 10 IDEE C=CCN(CCCN1CCOCC1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586150343 BKUGCKVIRGRWOP-UHFFFAOYSA-N 437.562 1.721 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(N)=O 589159663 ZMWLKIRXANBWBR-UHFFFAOYSA-N 439.518 1.160 30 10 IDEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c2ccccc2n1 610277765 KLTBZNBHTXRIRO-UHFFFAOYSA-N 449.492 1.948 30 10 IDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(C(C)(C)C#N)CC1 703983061 BCBOQQKAYYMZJH-UHFFFAOYSA-N 432.546 1.558 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732696761 OVSCKKXZVIPRDQ-INIZCTEOSA-N 435.550 1.930 30 10 IDEE CCc1ccc(CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 737935279 XBSLEJIXUDUQDD-UHFFFAOYSA-N 432.571 1.693 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1 744560902 IOYCNCOJEMXCGB-AWEZNQCLSA-N 432.502 1.536 30 10 IDEE CC(C)(CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 749387733 LIVPXKINKJQFKA-UXHICEINSA-N 426.565 1.190 30 10 IDEE N#C[C@H]1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CCN1C1CC1 755084273 DDPHAHGYZPXVTO-FQEVSTJZSA-N 431.562 1.494 30 10 IDEE N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)COc3ccc(Cl)cc32)CCCCC1 760409850 WFHOHZGADUHWFS-UHFFFAOYSA-N 425.894 1.985 30 10 IDEE Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1S(=O)(=O)NCC#N 763789456 ZRLKYZZYLHVWMA-SJORKVTESA-N 433.486 1.355 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 765270768 HGZNOXGJVCFYEQ-ZBFHGGJFSA-N 434.518 1.337 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F)c1cc[nH]n1 772340851 SSYAILMMQXTNAA-OAHLLOKOSA-N 430.387 1.464 30 10 IDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OCCCOC 772451294 ICOCLJWUPFNTQR-OAHLLOKOSA-N 435.951 1.566 30 10 IDEE CCOC(=O)CON=C(C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1)c1cc[nH]n1 772518755 VNWDNYKABPIOFY-INIZCTEOSA-N 445.520 1.335 30 10 IDEE CC(C)(C#N)c1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 775621470 YVHSMUUZPAAXOA-GOSISDBHSA-N 425.576 1.122 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 788815061 UJQSOJDVBUMNDF-UHFFFAOYSA-N 432.546 1.672 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC 790241040 ZWUNAKYEBGZVTE-NRFANRHFSA-N 432.477 1.425 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 803563994 WVXGQINQNTVMJX-UHFFFAOYSA-N 448.932 1.614 30 10 IDEE CN(C)c1c(C=NNc2nnc(-c3ccccc3)n2-c2ccccc2)c(=O)n(C)c(=O)n1C 807962692 FJIPOVSUSUHSOT-UHFFFAOYSA-N 444.499 1.844 30 10 IDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 916178351 UHELWCHCCYSJSQ-UHFFFAOYSA-N 447.538 1.605 30 10 IDEE C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 916563852 IXKYUDQBKOQZEF-HNNXBMFYSA-N 427.530 1.504 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O 921169195 KFCCOTWWCURKLC-UHFFFAOYSA-N 447.403 1.490 30 10 IDEE CCN(CC)c1ccc(N2/C(=N\C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 1083102419 JJEVRHORUMNGOE-KZLHXAFESA-N 439.559 1.999 30 10 IDEE CCn1cc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 1083923921 RPLUUVRNAMIHLV-UHFFFAOYSA-N 428.478 1.604 30 10 IDEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCCCC1)c1cc[nH]n1 1135971652 LNMPMBZEPQAWDD-UHFFFAOYSA-N 427.505 1.996 30 10 IDEE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1148295646 SRFVCFIZPXFGPW-MRXNPFEDSA-N 445.497 1.111 30 10 IDEE C#CC[C@H](CCOC)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1149971469 BUMRTMFIUHJEQT-QGZVFWFLSA-N 432.546 1.614 30 10 IDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1251517614 XFOHDRZPRDPOJN-OAHLLOKOSA-N 443.533 1.164 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)OC)c1 1286310330 CTZVLAJRFUHZHD-NVXWUHKLSA-N 445.545 1.271 30 10 IDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286356698 NCQVIXVUCGXAQF-UHFFFAOYSA-N 428.512 1.620 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1286394975 QJCJPMCGCXWTSM-OALUTQOASA-N 444.557 1.856 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1286479880 PCRLBXUILUGTAU-INIZCTEOSA-N 445.568 1.288 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)Cc2ccccc2)CC1 1286480212 RWZJSODIFBSDAI-FPOVZHCZSA-N 435.576 1.505 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@](C)(O)c2ccccc2)CC1 1286483216 CKFXFCBVUYNBHS-XMMPIXPASA-N 436.560 1.454 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1286609285 ZPDFJGPMSLWFKW-IRXDYDNUSA-N 435.554 1.206 30 10 IDEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(=O)(=O)CC)CC1 1286646357 QKRRMXFMOZTGNR-GOSISDBHSA-N 433.534 1.886 30 10 IDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286790944 QQMFVSZBBCPDHR-SFHVURJKSA-N 431.562 1.379 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1286791116 UMCCRHNYXAUCQW-SFHVURJKSA-N 426.521 1.491 30 10 IDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1287121154 XDQDNXXQZCJKNK-LJQANCHMSA-N 435.532 1.836 30 10 IDEE C[C@@H]1N(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1291318026 BGZVIVRGWUXTEC-PFANNTFUSA-N 430.509 1.312 30 10 IDEE CCOC[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1297364732 WMINMMGVKQNFTJ-CABCVRRESA-N 436.538 1.654 30 10 IDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1297735660 BSOSWFZKSRQBAS-INIZCTEOSA-N 437.570 1.031 30 10 IDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1299000565 GOSHDTYLHPQVBW-AOMKIAJQSA-N 442.520 1.353 30 10 IDEE C=C(CCN(C)C)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1299351469 QJJYCFAGRSLOMQ-RBUKOAKNSA-N 449.596 1.889 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300495230 FWDJBBSZELUZIS-JKSUJKDBSA-N 433.534 1.316 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1300528546 YQJMERJTJWISIK-UHFFFAOYSA-N 443.511 1.440 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](Cn2ccnn2)C1 1300645850 CKIWUBLYKBNFGK-WBVHZDCISA-N 430.534 1.424 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1300755532 VPNYHZVFQKMGOD-UHFFFAOYSA-N 429.550 1.081 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301173027 BJHBFBPJDHVKDN-FXAWDEMLSA-N 440.614 1.546 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301216847 TZWQLLHVMONFIV-LJQANCHMSA-N 426.569 1.868 30 10 IDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1301499186 ZQCOTCBBBQKBNV-UHFFFAOYSA-N 426.496 1.949 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(NS(=O)(=O)C4CC4)c3)CC2)nc1 1313398371 POPNHGGLRSPGQG-UHFFFAOYSA-N 440.529 1.889 30 10 IDEE CCN1CCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1313904825 UXRGOCYHUBOCGU-INIZCTEOSA-N 429.525 1.857 30 10 IDEE COc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1315467641 DKNFUGSDOPVJEP-WMZOPIPTSA-N 431.518 1.160 30 10 IDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1316360209 QSQJVYOIZBYISQ-IBGZPJMESA-N 447.496 1.110 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1316529835 HOKDFTBOBMDGTF-IRXDYDNUSA-N 442.545 1.343 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358898292 PNTZJVRHDYZJPJ-FUHWJXTLSA-N 442.545 1.611 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1358959145 CPRMEJJDPXNIJV-SFNQZPIRSA-N 446.598 1.791 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359025132 DPHHPDHWNCCLEQ-KRWDZBQOSA-N 449.552 1.376 30 10 IDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1359037383 HIISGDVEZKUBKV-QGZVFWFLSA-N 426.487 1.249 30 10 IDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359048431 QSQWSBZHLHFDTH-HXUWFJFHSA-N 427.534 1.254 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359207169 BHWUXAKPCDJLIU-PKOBYXMFSA-N 431.585 1.371 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1scnc1C 1359240478 PHMJWYPEWKNPGQ-CQSZACIVSA-N 426.568 1.241 30 10 IDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1359259359 UFVIUXWQHKWIMG-WIYYLYMNSA-N 432.546 1.872 30 10 IDEE N#C[C@]12CN(C(=O)COc3ccc(Br)cc3Cl)C[C@H]1CS(=O)(=O)C2 1439793174 BWSFBQBLSMBRMZ-ZUZCIYMTSA-N 433.711 1.878 30 10 IDEE N#C[C@]12CN(C(=O)c3ccc(CNC(=O)c4cccs4)cc3)C[C@H]1CS(=O)(=O)C2 1439796888 PLXOSJIYAVFJBG-OXJNMPFZSA-N 429.523 1.688 30 10 IDEE CN1CCO[C@H]([C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1447133815 APXOFYYNGANQDU-FUHWJXTLSA-N 431.880 1.052 30 10 IDEE CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(N)c1 1448852967 YANWNUJZFPVPDS-LJQANCHMSA-N 426.498 1.465 30 10 IDEE C=CC[C@@]1(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1450199675 GGEQWLAKXKMHML-SFHVURJKSA-N 449.595 1.602 30 10 IDEE Cn1cc([C@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2(C)C)cn1 1450230087 KNEKZQNXHACPFQ-QGZVFWFLSA-N 429.546 1.891 30 10 IDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1455696687 BCADMNYCIKCBAL-GOSISDBHSA-N 446.529 1.848 30 10 IDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)CC1(C#N)CCOCC1 1459590641 HPPDFSGQKBJTOX-DLBZAZTESA-N 425.526 1.542 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)C1 1469727891 CQVZCDISEPYYGK-GIMINZRKSA-N 427.505 1.584 30 10 IDEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1471308760 NLEXRCRTSDWARJ-INIZCTEOSA-N 442.545 1.605 30 10 IDEE C=CCN1CCC(NS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1474938722 FNOOWPPMCFFBBE-HXUWFJFHSA-N 437.562 1.594 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(COC)COC)CC2)cc1 1475973318 HNHJSGCBGOSVNU-UHFFFAOYSA-N 440.566 1.304 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCOC(C)C)CC2)c1C#N 1492727679 CWXVYOTVMAJHQA-GOSISDBHSA-N 442.568 1.837 30 10 IDEE CCCN1CC[C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1500961184 HHNBTHPDPJJYCG-CNNODRBYSA-N 432.569 1.779 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1503476142 GLRPWMNHVKLBMK-UHFFFAOYSA-N 440.529 1.721 30 10 IDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1503691571 BTBCDQFYRVAMNJ-QFIPXVFZSA-N 437.504 1.620 30 10 IDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1504910016 DVDXSYLZJDEURB-UHFFFAOYSA-N 425.537 1.357 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507544915 FWOMMYXUJBXEPS-IAGOWNOFSA-N 447.561 1.605 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507630541 BOPQMGIUFNKEKZ-QGZVFWFLSA-N 446.577 1.011 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507669902 VBKRVAGHWHKZBM-IRXDYDNUSA-N 425.455 1.508 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1507671289 IEVWZTJBIPJIQK-NRFANRHFSA-N 449.511 1.502 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCn2ccnc2C)CC1 1507740125 XLVBIRWDFDZEPT-FQEVSTJZSA-N 439.564 1.733 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507755181 RZBCOJHLQGWCTG-KRWDZBQOSA-N 429.550 1.214 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507782092 SMGPCTORNYHXIE-BLLLJJGKSA-N 444.355 1.153 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOCC2(C)C)C1 1508110045 XJNHWXDZFAUWPQ-GOSISDBHSA-N 432.569 1.406 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1508409008 AHAWSORYTKBWCV-FMKPAKJESA-N 439.611 1.849 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCN(C)C(C)C)CCOC1 1509819013 PTOTWUDPALJFAJ-NFBKMPQASA-N 445.612 1.835 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1510368643 DVJMDMDJNLXEJR-IAGOWNOFSA-N 428.493 1.622 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(C)COCCO1 1513027222 NHCFPTUCQKYSSU-PNLZDCPESA-N 440.552 1.974 30 10 IDEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1515573438 DEBKBVLGANERJO-GOSISDBHSA-N 445.593 1.534 30 10 IDEE COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519184537 AMEBNCOGABGESV-HKUYNNGSSA-N 427.509 1.242 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1519420740 REJIZVZKDFCGOI-LXMAKODISA-N 430.509 1.375 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(SC)c(C#N)c2)c1 1537956935 VUFKFEZGFPBGHP-UHFFFAOYSA-N 448.570 1.789 30 10 IDEE C=CC[C@]1(C(=O)NCCc2nnc3c(=O)n(C)ccn23)CCCN1C(=O)OC(C)(C)C 1538131827 OMQRTEIURCLDGZ-OAQYLSRUSA-N 430.509 1.433 30 10 IDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1539155990 YTYREVXBVMDEKZ-OAQYLSRUSA-N 432.546 1.593 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccc(C)cc1 1539180028 VFELVPIJTVYUHF-SFHVURJKSA-N 433.534 1.068 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539224844 IYXCTZMOHDLUNJ-WOJBJXKFSA-N 443.573 1.850 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1539265703 JPKWMRJHBRHRRX-IBGZPJMESA-N 425.558 1.676 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC(=O)N1CCOCC1 1539336772 FWSMLABJGUWIRV-UHFFFAOYSA-N 437.500 1.187 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)no2)n1 1539423621 ASRQTGCHEOHIQU-GOSISDBHSA-N 438.492 1.057 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2(C)C)CC1 1539446628 HKJYHIOHDFBCNI-SJORKVTESA-N 437.635 1.467 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCOCC2)C1 1539532871 DOTHJKPWQVXPPJ-ROUUACIJSA-N 436.578 1.754 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1540037334 ILJCFBYAJKFEEU-HZPDHXFCSA-N 445.611 1.145 30 10 IDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4cccc(C#N)c34)CC2)C[C@H](C)O1 1540846489 ZJXWYIIWOVRNLA-GJZGRUSLSA-N 431.518 1.151 30 10 IDEE C=CCNC(=O)Cn1c(N(C)C2CCC(NC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1540875676 UKIMHPQQAHNOOT-RWWKDMOOSA-N 448.568 1.116 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)C1 1540883125 UPYOFBDCFKAECY-IEBWSBKVSA-N 443.552 1.598 30 10 IDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1543264233 KBAMRSCLYGRECR-FPOVZHCZSA-N 429.546 1.467 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)n[nH]2)c1C 1545221183 LJYXMIAYXXLSRK-SZNDQCEHSA-N 425.493 1.526 30 10 IDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1555558850 HHJNCZNXSUQERK-HXUWFJFHSA-N 442.568 1.765 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1555669880 LFGIMBBKOXAXFK-CRAIPNDOSA-N 440.504 1.065 30 10 IDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1555711949 WMAPZOQSKMOTOY-ICSRJNTNSA-N 427.505 1.721 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H](C#N)CO)c1ccccc1I 1556607502 KWXTWGXIHCFUMJ-ZWNOBZJWSA-N 445.257 1.858 30 10 IDEE CCOC(=O)CON=C(C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1557666047 QYVIAORPQZHNCF-QKKBWIMNSA-N 449.508 1.599 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)C2)nc1 1569817870 FWEXIAHPKCZLKS-RHSMWYFYSA-N 441.875 1.260 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CC[C@@](O)(CC#N)C3)ccc2NC1=O 1570695164 NNSRBVACEVUVDL-JTSKRJEESA-N 428.489 1.955 30 10 IDEE C#C[C@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1584771577 YYBHMWJBYXDHOF-KRWDZBQOSA-N 444.557 1.541 30 10 IDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)c1ccccc1 1585917976 AAJDVZJGMQTBRD-NRFANRHFSA-N 425.510 1.644 30 10 IDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1snnc1C 1587988727 BBEXOCLVUQIUNH-CQSZACIVSA-N 433.538 1.864 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1588166411 GJKHCRHPCMAIAS-KRWDZBQOSA-N 428.537 1.949 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1588857518 PBBWKVZYCUWUOU-HXUWFJFHSA-N 441.649 1.712 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1589530374 VDPCUJYONLMJQZ-HBFSDRIKSA-N 429.569 1.817 30 10 IDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C[C@@H]3CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1595602492 LHRWYBQHDYDSIV-SELNLUPBSA-N 447.580 1.875 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1596551030 VGGNCXKBOMDENO-UDJKBAMHSA-N 427.509 1.034 30 10 IDEE CCS(=O)(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1598528343 NMFTXIZCYHUSCV-UHFFFAOYSA-N 441.351 1.251 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCC(C(=O)OCC)CC2)c1 1611051796 TXGLBTWNNZNGCG-UHFFFAOYSA-N 448.541 1.357 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc(S(C)(=O)=O)ncc2Cl)C1 1611243824 BVFZIIWTBAXVHN-MFKMUULPSA-N 428.898 1.627 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1611307829 HPLDGQPWERIPBJ-KLHDSHLOSA-N 428.534 1.488 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1611619143 JLNUCACQJQDXMR-RDJZCZTQSA-N 431.928 1.691 30 10 IDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCCc2ccccc2)n1 1612502216 FFQNVXZNHJKVDM-HXUWFJFHSA-N 448.531 1.227 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1619912539 GDSHXQLZJACHKW-AVRDEDQJSA-N 440.504 1.635 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](C(=O)Nc4cn[nH]c4)C3)C2)C1 1624618530 CHTUQVPXZGFMJU-FOPHHXNCSA-N 442.520 1.984 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)c1 1625360137 QHAIORKPLSYPFV-CTNGQTDRSA-N 447.601 1.791 30 10 IDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)CCCOC1 1628216121 KRUACSMPARTZCI-KRWDZBQOSA-N 442.335 1.602 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)C1=O 1628383503 BRSFEKGBIGYOFG-HNNXBMFYSA-N 442.472 1.446 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c(Br)nc3n2CCOC3)[C@@H](C#N)C1 1635213640 HSEKCRQYFXLLPE-NSHDSACASA-N 440.298 1.761 30 10 IDEE COc1cnc([C@@H]2CCCN2C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1O 1640133351 WWQNRHCIKUVGDI-OCCSQVGLSA-N 445.501 1.372 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 1641402855 JNHKFQTZBUKZQL-WBVHZDCISA-N 449.577 1.354 30 10 IDEE C#CCN(C(=O)c1ccnc(N2CCOCC2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454746 OHVGOYJIJYZJNG-UHFFFAOYSA-N 429.521 1.788 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2=O)cc1 1652154190 RRAYEWFBCRGJEA-GFCCVEGCSA-N 435.362 1.052 30 10 IDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 1657385067 OYRVIATZSUWHGG-UHFFFAOYSA-N 440.544 1.771 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(=O)OC)cc1 1673820057 RCBQXYRBQIGLCV-GOSISDBHSA-N 428.489 1.786 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)CC1 1676211656 ZMMOQXAEFNNLTC-ZDUSSCGKSA-N 440.476 1.287 30 10 IDEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)nc1 1683347160 UHJVADHIJPUOFE-INIZCTEOSA-N 427.486 1.020 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689993357 BIWMQUVYYHWTGW-GOSISDBHSA-N 436.578 1.443 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1690033299 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FAHPJGCUHGAWTB-DLBZAZTESA-N 448.568 1.961 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1 1705559505 BPLIXDYMAGINCX-DLBZAZTESA-N 445.593 1.785 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705567328 WQVUFCXAFOXMHW-QZTJIDSGSA-N 427.530 1.213 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NCCC 1705576239 HXRQOGSQQAAQMK-UHFFFAOYSA-N 427.530 1.338 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705580562 KJBPMBQVNGJATE-IFMALSPDSA-N 445.571 1.513 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1705604733 SLDTXMIEQZNUHP-CYBMUJFWSA-N 427.477 1.998 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CC(OCC)C2)CC1 1705648296 QCVGKOZQQKIWEC-SKINQDTJSA-N 429.565 1.953 30 10 IDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C)O1 1708233912 DDHJWVAWWPBIRD-HZPDHXFCSA-N 433.534 1.777 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1709191447 DCBOYLWTJODTRB-GOSISDBHSA-N 439.520 1.312 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NC(C)C 1710568343 AXKVBRORXJADTM-INIZCTEOSA-N 428.493 1.509 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)c(OC)c1 1722275850 GLLCMGDZVDERJP-GJZGRUSLSA-N 435.550 1.802 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(N(C)C)c1 1722295765 MCEUWSURZKKNTI-LPHOPBHVSA-N 446.577 1.183 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722308042 DUPROZFWCOIRTO-IRXDYDNUSA-N 436.582 1.283 30 10 IDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1722331363 FBSFWNFVNKEAML-QGZVFWFLSA-N 434.566 1.563 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722426382 HFEJFZHRPKAYRH-IBGZPJMESA-N 445.589 1.545 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H](C)N2CCOCC2)n1 1722426695 ABTFDRWMDBMSRD-IBGZPJMESA-N 443.596 1.779 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722694662 DEDSABLDLVLVPX-AEFFLSMTSA-N 440.548 1.937 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1722696410 MGQHIOHEEHFHMP-UHFFFAOYSA-N 431.504 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722729838 YLWNFNBZOAPHPA-OAHLLOKOSA-N 445.467 1.632 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)c1 1729735675 BKIHZYILAUUZPD-CQSZACIVSA-N 433.538 1.111 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCC(=O)N(C)C)c1 1740557516 LIBOGJDXZCFNEL-KRWDZBQOSA-N 438.532 1.374 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740566421 GPDQJHARKCXYGH-MIALQEHNSA-N 439.582 1.465 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1740766462 HFSVUMMUWRMVRJ-INIZCTEOSA-N 444.565 1.920 30 10 IDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740884972 SIDVQGLLIWCASI-UHFFFAOYSA-N 427.553 1.610 30 10 IDEE C=CCCOCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740886606 MDLIXTMDZXHYDI-NQIIRXRSSA-N 430.597 1.812 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCN(CC)CC1 1740932482 OXYCVOPUPRCSQG-RBUKOAKNSA-N 436.626 1.385 30 10 IDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740943739 IFUZHHMHZWEGFH-SFHVURJKSA-N 440.504 1.915 30 10 IDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)cc1 1748621398 NQSSYOGGIYJKEW-UHFFFAOYSA-N 433.534 1.755 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1748818034 UVFXHRUYCXZING-RBUKOAKNSA-N 429.546 1.437 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1748945144 LTLQJGHPEYMMJX-PGRDOPGGSA-N 426.496 1.075 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1749020170 NIEJXZKKJROEDG-OAHLLOKOSA-N 447.565 1.867 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749226942 VPQQZDXWOKXZDN-QYZOEREBSA-N 432.569 1.369 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1749670529 SRRAPAZCPILFJR-GOSISDBHSA-N 447.561 1.862 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1749717091 GQPMOXCNQIPREV-QFBILLFUSA-N 438.575 1.261 30 10 IDEE CC(=O)N1CCN(CCn2c(Cn3nc(C)cc3C)nnc2N2CCC(C#N)CC2)CC1 1749888254 FKHXIIWQUOXBQJ-UHFFFAOYSA-N 439.568 1.044 30 10 IDEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1750243622 GNXWYFRAKRNBGS-DNVCBOLYSA-N 444.561 1.822 30 10 IDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cnccn3)n1CCCOCC(F)F)C2 1750381998 NEVGTNRFWYAVPB-UHFFFAOYSA-N 442.430 1.942 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760140558 REUJSKSPMWMYBF-IBGZPJMESA-N 435.576 1.857 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1760192445 UOUNWRFUJUFPOG-QRVBRYPASA-N 448.568 1.905 30 10 IDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1760225067 GPOZZAFUKQZJAJ-MRXNPFEDSA-N 430.578 1.779 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1760273517 XEZOGTXLVDTERZ-KRWDZBQOSA-N 431.537 1.324 30 10 IDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NC)CC1 1760285100 YUXNSTRDYXMVQF-UHFFFAOYSA-N 437.573 1.845 30 10 IDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1)C1CC1 1760476716 DVBFNVNAYWEWDE-PKOBYXMFSA-N 437.610 1.692 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760519105 RRRNZLDJSXPADU-GOSISDBHSA-N 446.577 1.328 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760551227 XWBMVXLROOUORI-AWEZNQCLSA-N 448.505 1.121 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C)CC1 1760560036 XPPXNRDXXKNFOA-QGZVFWFLSA-N 447.565 1.155 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1761231476 OIVPRQHXGYHJCZ-MCYOWCNASA-N 427.509 1.322 30 10 IDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCOC1(C)C 1763258124 ABHAWWUQXSXQOK-OAHLLOKOSA-N 434.504 1.974 30 10 IDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNS(=O)(=O)CC 1763654415 HHULLXOWBIPNAK-AWEZNQCLSA-N 447.565 1.656 30 10 IDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CCS1 1765234748 AYMWKSVGBRYSPZ-FXAWDEMLSA-N 447.586 1.698 30 10 IDEE CN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ccccc2C#N)CC1 1768459843 XMYNWROETZVUAB-LJQANCHMSA-N 437.548 1.849 30 10 IDEE COc1cccc(C(=O)NCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1770302603 AKELMGSPAYWKEI-HXUWFJFHSA-N 447.499 1.431 30 10 IDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)C1 1770343836 PJYHEEXRPKCGPD-ROUUACIJSA-N 436.582 1.584 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCCO)CC2)nc1 1770739105 WTNUDHVUXORZJM-SFHVURJKSA-N 438.536 1.375 30 10 IDEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N(C)C3CN(c4nccnc4C#N)C3)n2)cc1 1849829189 ROTRWUHBVWAWFK-OAHLLOKOSA-N 445.483 1.489 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(OC)(C(F)(F)F)CC3)C2=O)CC1=O 1854386848 HOLLWGGYWQGWAP-HUUCEWRRSA-N 431.455 1.582 30 10 IDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1=O 1856802563 JNAMIDSAMDPJIT-JSGCOSHPSA-N 448.419 1.588 30 10 IDEE COc1ccc(OCC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870148878 FBIIJINDLOUNOU-UHFFFAOYSA-N 432.396 1.391 30 10 IDEE C=CCOc1cn(CCCN2CCCC2=O)c(CN2CCC3(CC2)OCCO3)cc1=O 1870383049 BFLRHMJXRDNLHX-UHFFFAOYSA-N 431.533 1.765 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1C[C@H]1CCCO1 1870585458 LNFWZIQTJWFUON-HXUWFJFHSA-N 431.533 1.439 30 10 IDEE Cc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)c(C)c1 2053510891 VZZFJYNEEOXWHU-JOCHJYFZSA-N 428.510 1.849 30 10 IDEE CC(C)(S)[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2074742128 CBYSCOJLSJPILC-AWEZNQCLSA-N 428.532 1.534 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141676763 BPFBOASGRJSBMQ-OAHLLOKOSA-N 449.313 1.776 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]2C1 2255631939 GNTCSGQILJZQGY-ZIAGYGMSSA-N 432.330 1.648 30 10 IDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255652497 VPUGXZPIVQQFCE-UHFFFAOYSA-N 434.346 1.658 30 10 IDEE Cn1cc(C(=O)N2CC[C@](C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2255820422 PUQKEXKCIKPXIB-NRFANRHFSA-N 434.346 1.849 30 10 IDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256639553 JHKHFWYQMVVRKM-HNNXBMFYSA-N 435.330 1.984 30 10 IDEE Cc1c(C(=O)NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267005405 MHEDINRVKDWBBV-KBPBESRZSA-N 446.357 1.623 30 10 IDEE Cn1ncc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267009551 NANGDBADYKJCSA-KDURUIRLSA-N 436.365 1.923 30 10 IDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267184965 YPRQYQRITGZRRG-ZIAGYGMSSA-N 446.357 1.657 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 2267189261 YDUWUPYIMBUPGH-CWRNSKLLSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2267267212 IXZCGJJWBVXRDQ-GOEBONIOSA-N 444.341 1.857 30 10 IDEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267550330 XYWYFJBQDZVTMI-AWEZNQCLSA-N 449.361 1.586 30 10 IDEE CC(C)(C)OC(=O)N1CC(N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C2CC2)C1 2267879683 KBLWLSXGOCMGQY-UHFFFAOYSA-N 444.341 2.000 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(C(=O)[C@H]2CNC(=O)CN2C(=O)OC(C)(C)C)C1 2268653182 ZEGDYDATZRSLNL-MRXNPFEDSA-N 449.357 1.902 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](F)[C@@H](CO)C3)cc2Cl)OC1(C)C 2282304389 JYLUNWMNLODTMX-MWLCHTKSSA-N 425.740 1.652 30 10 IDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CC[C@](C)(B2OC(C)(C)C(C)(C)O2)C1 2319677999 UATFVINTZGATAL-QKKBWIMNSA-N 437.346 1.807 30 10 IDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc(O)cc1O 2327884308 KVXLXPWUWPJFTQ-CYBMUJFWSA-N 447.517 1.951 30 10 IDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 2329018133 MCOSCEPWGHESSP-ZDUSSCGKSA-N 432.506 1.176 30 10 IDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)c(OC)c1 20806399 ABOZMBYWVOOPTG-UFFVCSGVSA-N 443.489 1.892 30 10 IDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)CC1 27559292 HVXJVKGHERRVNN-OAHLLOKOSA-N 448.589 1.518 30 10 IDEE O=[N+]([O-])c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 38202604 SPZMLFBVXSBUTG-LDADJPATSA-N 435.418 1.970 30 10 IDEE COc1ccc(-c2nc(SC)nc(N[C@H](CCC(N)=O)C(=O)O)c2C#N)cc1OC 62048748 QFYOCZQLJKYYAG-GFCCVEGCSA-N 431.474 1.885 30 10 IDEE COc1ccc(CN2CCN(S(=O)(=O)c3cccnc3C#N)CC2)c(OC)c1OC 428268413 DVINCLASRKPVNM-UHFFFAOYSA-N 432.502 1.486 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)CC1 460222309 RULBOHUICPUAKJ-HXUWFJFHSA-N 430.940 1.792 30 10 IDEE COc1cccc(N2CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)c1 481527174 IOTCIROLJKDTID-FUHWJXTLSA-N 442.541 1.876 30 10 IDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1C#N 489062739 VZBZXPUKDQWPML-UHFFFAOYSA-N 442.469 1.235 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 503642863 NADOYHVCSUMBRV-MRXNPFEDSA-N 433.306 1.638 30 10 IDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 508462927 BIBGRXIMRJTNAL-YJBOKZPZSA-N 439.472 1.053 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(c2ccc(O)cc2)CC1 517440522 VVQDCTWWDBRMOH-LJQANCHMSA-N 445.545 1.796 30 10 IDEE C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 518849825 AQGRDFUYDBCOCX-GUDVDZBRSA-N 425.595 1.253 30 10 IDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 549288586 XWZNFLRIOPWUGX-SJORKVTESA-N 431.541 1.976 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 567493412 ZBMSYXKYBLGOPB-KRWDZBQOSA-N 433.578 1.448 30 10 IDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O 588153978 FKFAJVAQZPCQIE-OYHNWAKOSA-N 443.479 1.971 30 10 IDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609253170 XPLFZFXDOAXEJM-UHFFFAOYSA-N 431.493 1.637 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)CC2)nc1 619800425 CSKXUIDHQZTSIJ-UHFFFAOYSA-N 432.550 1.132 30 10 IDEE C=CCNC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 727447247 VMLLYPYIQVUHJW-NTUHNPAUSA-N 428.352 1.669 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1C 729671054 BYBPAEOOXGUFPV-UHFFFAOYSA-N 443.532 1.884 30 10 IDEE COc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OCc1cscn1 731862278 BYJHHZLGSYMKBA-CZIZESTLSA-N 428.470 1.987 30 10 IDEE Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706179 HWTCDOHKSJXBLJ-GOSISDBHSA-N 441.557 1.321 30 10 IDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OCc1ccncc1 732708494 QOPQQFHRUZWBRA-IBGZPJMESA-N 435.484 1.806 30 10 IDEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc2c(c1)OCCCO2 741339828 BTUQRSBFGGESBS-XROMVWTOSA-N 429.429 1.635 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c(OC)c1 742395990 FUXIOBRWHMSCSB-UHFFFAOYSA-N 430.486 1.185 30 10 IDEE CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCC(O)CC3)c(C#N)c1)C2=O 743734162 BYYRCSWAVHKWOX-UHFFFAOYSA-N 439.516 1.959 30 10 IDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2I)CCN1C1CC1 759015286 UEKSMAJUIOUKOS-LLVKDONJSA-N 442.232 1.568 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nnnn1C(C)(C)C 766158119 CAYOBPNVPKCXRM-AWEZNQCLSA-N 434.522 1.625 30 10 IDEE C=C(Br)CNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 780829012 VDHMTYAUZQLKLF-OAHLLOKOSA-N 439.358 1.460 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3n[nH]c4ccc(Cl)cc34)CC2)o1 792809612 UBUBESVWYCJOIZ-UHFFFAOYSA-N 428.836 1.890 30 10 IDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCCC2(C#N)CCOCC2)[C@@H](C)O)cc1C 800077334 MMIUDFMCBDPKKP-MJGOQNOKSA-N 438.546 1.975 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2Cc2ccccc2)CC1 802115307 WSVPWFXWKYXPRY-UHFFFAOYSA-N 439.523 1.996 30 10 IDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 812564404 ULGIWLHIWLICAE-GUYCJALGSA-N 431.445 1.713 30 10 IDEE COC(=O)c1cc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C)c1C 1133079994 HWTFTTUMAAYFOC-GOSISDBHSA-N 437.456 1.513 30 10 IDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 1135248172 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CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(OC)CC2)CCO1 1315014400 WNOJRIRKYWWSDZ-RRWXTXHCSA-N 438.532 1.973 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358955410 LIWHXQDZGWMTKR-LJQANCHMSA-N 441.557 1.498 30 10 IDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1358958992 ZPRZVGIQWRPPLO-OXQOHEQNSA-N 436.534 1.261 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC[C@@H]1C 1359334565 JVMKSVYZBVIECG-HNNXBMFYSA-N 425.555 1.005 30 10 IDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1359432637 SMIPLDIXMMHCHU-JPYJTQIMSA-N 435.532 1.648 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1360474640 SJWFOXPNNHXCNO-ZIAGYGMSSA-N 434.522 1.711 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1CCc2ccccc21 1360712943 DSBOMXZTOWIHPU-CGTJXYLNSA-N 444.561 1.737 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)C1 1444734676 UNWDRLOBMSSXRQ-ORAYPTAESA-N 446.305 1.251 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)c2coc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2)CC1 1449060668 KKGBDUKGLORSSF-KRWDZBQOSA-N 445.520 1.254 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 1453983974 OIGNOFIAOAWPOP-UHFFFAOYSA-N 428.514 1.114 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1455205546 SBWJREBYVKLWKU-GOSISDBHSA-N 438.546 1.707 30 10 IDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)C1=O 1460602124 FKKBGCUPNPGTQG-RPWUZVMVSA-N 446.511 1.827 30 10 IDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1460771973 PSVWVRZWWIERGT-DBHNTLKXSA-N 436.553 1.773 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1472177280 ZQXWPPXDZULWSM-UHFFFAOYSA-N 443.481 1.323 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1497085808 HAIUSXLGFZSUKH-JXFKEZNVSA-N 432.550 1.894 30 10 IDEE CCOCc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1Cc1ccc(C#N)o1 1503116362 GGYRSBUCSPLKQI-MRXNPFEDSA-N 427.509 1.910 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1503838225 FDNUAVHVNSPJBL-HZPDHXFCSA-N 432.550 1.760 30 10 IDEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1504633484 BRURJAMMTNJQHR-HOTGVXAUSA-N 425.555 1.219 30 10 IDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H](C)O1 1505289706 DSQYSSIVFSXCAN-CALCHBBNSA-N 425.537 1.450 30 10 IDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507580548 HLSSSCDHTMKZGL-GOSISDBHSA-N 433.520 1.829 30 10 IDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507589646 YEIJOUWCVBNEOI-APWZRJJASA-N 445.545 1.722 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCCCS(C)(=O)=O)CC1 1507724835 XRHGOPGZESTUCK-UHFFFAOYSA-N 447.580 1.978 30 10 IDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507752307 YEUSAVRNZPURTJ-RTBURBONSA-N 446.621 1.281 30 10 IDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507903140 JHYSGEPBBUPNIG-OALUTQOASA-N 443.596 1.574 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507954034 KENDJEPQJWWXOG-KRWDZBQOSA-N 434.566 1.765 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1508079019 MMLPHHUTZXEJCG-GOSISDBHSA-N 444.561 1.252 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508134727 VWJCHENWNSODFZ-AWEZNQCLSA-N 428.536 1.071 30 10 IDEE CC(=O)N(C)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1508185042 ZJNUWZARNNZVGG-CZIZESTLSA-N 427.509 1.129 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1508798472 XUZZEZCQPIIYLZ-HSZRJFAPSA-N 438.532 1.975 30 10 IDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)C1 1516021748 BEOIJJYHSUVEDX-IBGZPJMESA-N 444.561 1.761 30 10 IDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1517158503 GUGRUKGKAKSKCX-OAQYLSRUSA-N 439.545 1.967 30 10 IDEE N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)C2)c(F)c1 1529482275 HBKSFZGTZNFWFS-HOTGVXAUSA-N 429.473 1.875 30 10 IDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C(=O)C1 1536664885 NRYJOBAKJYLJQG-GOSISDBHSA-N 428.489 1.537 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539225096 LTBSHRSBCAUPSR-LJQANCHMSA-N 443.573 1.707 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(CCOC)CCC2)CC1 1539476669 CUAMTSQHARKYTO-UHFFFAOYSA-N 437.548 1.908 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)CC1 1539477188 JVGOTCHNSRKZHV-HOCLYGCPSA-N 434.491 1.630 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCNC(=O)C1CCC1 1539628713 SQWCUUWNLXGULW-BJLQDIEVSA-N 444.580 1.953 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCO1 1540169250 ARZSOPFJXGIQNG-APWZRJJASA-N 425.555 1.359 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1541121271 GGTZJEGZXNMQQG-ZJPYXAASSA-N 436.582 1.930 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C 1547637778 BDMVCXAPJBZVQK-DLBZAZTESA-N 445.593 1.627 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@H]1CC 1548281435 YOBAGPOUAJPIFO-HXUWFJFHSA-N 439.564 1.842 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCC[C@H]1C 1554478252 BYJDEGNHVJNZEF-OPAMFIHVSA-N 426.521 1.852 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc(-c4ccccn4)n3CCOCCCO)CC2)c1 1555989934 ANXXBPRFPDOUAD-UHFFFAOYSA-N 434.504 1.332 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)OC)cc2OCCOC)c1 1557789288 MZGXSOADICDLOK-UHFFFAOYSA-N 446.481 1.662 30 10 IDEE N#Cc1csc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 1558600106 PZBNUQDUKZNHOW-OCCSQVGLSA-N 426.907 1.108 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)C1=O 1558875922 SGEHDTDLWVVUMZ-MRXNPFEDSA-N 433.770 1.183 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1559032725 GFPMRRCKAVRFTG-MRXNPFEDSA-N 433.461 1.526 30 10 IDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1561575426 ZNCFJLVNAFYIAC-RGCFKVTRSA-N 428.576 1.975 30 10 IDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 1565276823 YPVVYIVDKKPGKS-UHFFFAOYSA-N 437.541 1.779 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)cc1 1570195967 AKNVTOFJILYVDK-UHFFFAOYSA-N 437.543 1.379 30 10 IDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2nc[nH]c2C12CCOCC2 1570739114 AGSAGCDKPKGMEG-CQSZACIVSA-N 429.502 1.039 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CO[C@@H](CCC(=O)OC(C)(C)C)C3)CC2)c1C#N 1585101540 ZXPUNWZFYLFVLV-IRXDYDNUSA-N 431.537 1.776 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588054637 PABDKXKBMOHXSA-IBGZPJMESA-N 447.605 1.965 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1588751865 OLRXDUUANLWOJX-ZJSXRUAMSA-N 444.624 1.950 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNc2ccccn2)CC1 1588876770 ILZIONIAWISZTQ-FPOVZHCZSA-N 439.564 1.655 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1589088583 ATZNFSFGFBARTF-UHFFFAOYSA-N 443.573 1.539 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1593746384 CUZMVVMZSKBQBG-SFHVURJKSA-N 446.577 1.495 30 10 IDEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594634592 NLMOUNCVWTVJNO-UHFFFAOYSA-N 439.564 1.793 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1595688665 MDJJVYDOTYBUJK-GHTZIAJQSA-N 448.545 1.285 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1595722880 OMJKSEJKMJZMRR-GUDVDZBRSA-N 433.553 1.796 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)cc1 1617438900 ADESBRGZWYTWOJ-UHFFFAOYSA-N 426.454 1.784 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)c1 1618837981 HDOYOUKZUGHJDL-HXUWFJFHSA-N 441.492 1.738 30 10 IDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1619969085 MIJVAMBUHQQQMA-APWZRJJASA-N 447.561 1.945 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CC(=O)NCC(F)F)cc1 1620350085 BKNMVOLHCOAJEJ-HNNXBMFYSA-N 429.431 1.009 30 10 IDEE N#Cc1cn(CC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c(=O)nc1O 1627534591 CRQVAQZEEOIUKG-CQSZACIVSA-N 427.219 1.867 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(C(=O)OC)nc1 1629251882 PSFNXNCLCVAITG-INIZCTEOSA-N 444.513 1.782 30 10 IDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C 1629484498 ABXDJJNDLAWNKO-UHFFFAOYSA-N 446.529 1.261 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)CC1 1631252119 YNDCMKYHEQQWLW-OAHLLOKOSA-N 434.518 1.606 30 10 IDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(C#N)nc1 1632345409 JQRZZUQYRJRHTR-UHFFFAOYSA-N 429.502 1.587 30 10 IDEE Cc1cc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nn1CCC#N 1633072003 ZWOGEHBDYQASAK-AWEZNQCLSA-N 425.511 1.468 30 10 IDEE COc1ccc(CN2CC[C@@H]2CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1633261757 MHZLVKHITMMUGZ-VQIMIIECSA-N 442.541 1.624 30 10 IDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ncc(OC)c(O)n3)CCCC2)cc1 1639498944 PHKGNFWGWOQQGJ-UHFFFAOYSA-N 432.502 1.854 30 10 IDEE CC(C)(NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1cccc(C#N)c1 1641319832 SZCYKPDWBHBJNY-HNNXBMFYSA-N 426.498 1.610 30 10 IDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC3(CCOCC3)CC[C@@H]2CO)CC1 1643826459 OWUVMJQFXYWLOZ-YADHBBJMSA-N 444.551 1.788 30 10 IDEE C=C(Cl)C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)OCC 1648779834 QHMCARWFKFQODD-AWEZNQCLSA-N 427.910 1.771 30 10 IDEE Cc1ccc(O[C@H](C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Br)c1 1648787106 HQYDFOOMJMARCS-LLVKDONJSA-N 433.262 1.742 30 10 IDEE CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1649588735 SMEVVYFHEBJVBW-INIZCTEOSA-N 425.493 1.315 30 10 IDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N1CCc2c(sc(N)c2C#N)C1 1660317246 BUZRBDZUHYAYGY-GFCCVEGCSA-N 434.547 1.965 30 10 IDEE Cc1ccc(NC(=O)CN2CCc3c(sc(N)c3C#N)C2)cc1S(=O)(=O)N(C)C 1660489589 OGBNHSTZAIWEIO-UHFFFAOYSA-N 433.559 1.758 30 10 IDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 1665507287 QXXQDLBTWSUZQV-UHFFFAOYSA-N 441.510 1.835 30 10 IDEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1676600752 DOHPNVAFWLZPJV-YRNRMSPPSA-N 440.566 1.746 30 10 IDEE C#CCN1CCC(NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 1682416228 JWNMJQZVWNYDKL-UHFFFAOYSA-N 433.361 1.669 30 10 IDEE N#CC1(c2ccccn2)CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1686858820 AEYSKLPMBMLUBO-MRXNPFEDSA-N 426.498 1.883 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1689872374 XACYGQNACLCZEW-SFHVURJKSA-N 438.532 1.392 30 10 IDEE C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689941280 LMSOLDCCETYFKD-JTSKRJEESA-N 444.536 1.205 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1690046356 BAYPRGMQMYTXRZ-LJQANCHMSA-N 439.541 1.051 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1690110368 IYASKDGOGPTCQE-LJQANCHMSA-N 449.559 1.225 30 10 IDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C)C(=O)C2)cc1 1690680526 UQWGEDQDQCABDQ-KRWDZBQOSA-N 445.545 1.072 30 10 IDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@H]2C)cc1OC 1696125331 DHKWPLSOAXAPAO-LBUQITIBSA-N 443.504 1.621 30 10 IDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1705561325 PBVLBPLNBCZVNH-QGZVFWFLSA-N 449.964 1.750 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC(F)F 1705630850 JAPZQBJKYFEHEQ-RHSMWYFYSA-N 427.496 1.664 30 10 IDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1)c1ccccc1 1705742887 IENJNENUFQOBEP-GOSISDBHSA-N 447.561 1.550 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1705800021 MIDRZNCBEGFBAZ-UHFFFAOYSA-N 438.540 1.537 30 10 IDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1705900489 FPUAEWUBPXZQOJ-UHFFFAOYSA-N 435.532 1.831 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCSC1 1705900526 GVQIBFXKFCKLIR-AWEZNQCLSA-N 439.545 1.436 30 10 IDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705943108 OEMGJSBIHZVWQC-QGZVFWFLSA-N 443.577 1.969 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706145292 ZNBGXOQIOWCPJH-DNZUHHBVSA-N 443.508 1.034 30 10 IDEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1711021057 CHXSMAXDKLNVIM-ZZEZOPTASA-N 441.536 1.809 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1722316441 ICJZSLGXBUPYNT-CVEARBPZSA-N 427.596 1.356 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCN(CCC)C1 1722345169 BGKXYJIZWFXKJQ-GOSISDBHSA-N 444.605 1.997 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1722378563 PWGOMBLHPJNXTH-INIZCTEOSA-N 426.498 1.571 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC(C)C 1722389035 CWNJMYLKFAFGLD-UHFFFAOYSA-N 444.517 1.644 30 10 IDEE C=C(C)COCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1722537901 HQCSYUWAYXBHFF-FQEVSTJZSA-N 442.582 1.536 30 10 IDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1722614376 LHMWFTVYRMJCBU-UHFFFAOYSA-N 436.538 1.444 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722725950 VLXUZRRGOIANRD-NRFANRHFSA-N 446.577 1.242 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1722843764 QNHSUBXGXFNYLF-ROUUACIJSA-N 446.458 1.582 30 10 IDEE CC(C)(O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1723034685 CFCADUFDCXZNLE-KRWDZBQOSA-N 441.511 1.728 30 10 IDEE CC(C)CN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1723436264 ADOHEUANNAOZIZ-QZQOTICOSA-N 443.552 1.798 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1723772914 ODDXVZFKYKQZKN-KMFMINBZSA-N 427.484 1.451 30 10 IDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1724031442 KFWSUSWYTLJFRD-UHFFFAOYSA-N 433.534 1.493 30 10 IDEE CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1729307804 DSLHGTVVWYUPIF-UHFFFAOYSA-N 445.531 1.407 30 10 IDEE CN(Cc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1729423338 QMALWVHXUXSTTE-UHFFFAOYSA-N 440.529 1.909 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C1CC1)N(C)C 1730325092 FLNYDIZFESMRMF-MSOLQXFVSA-N 426.521 1.935 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)C1 1731183993 XQUJXZDLCPRSOS-IERDGZPVSA-N 428.468 1.750 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1740599433 APECWRTXYZKDFC-HKUYNNGSSA-N 446.577 1.031 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC(F)F 1740609546 KUJQREJXULTIBD-UHFFFAOYSA-N 440.495 1.843 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740627853 SWAHJQYIJXFSBZ-ROUUACIJSA-N 447.561 1.646 30 10 IDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740718533 PZBLXVAVEOUKOU-HOTGVXAUSA-N 427.596 1.057 30 10 IDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(CCOC)no1 1740743768 DQURMDHDZCBNHK-LBPRGKRZSA-N 427.303 1.899 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)C1CCN(CCn2cccn2)CC1 1740783541 MUSPVEFGDQWFKP-UHFFFAOYSA-N 426.569 1.774 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740996129 GVUNDDCGCGJPMP-JKSUJKDBSA-N 443.639 1.939 30 10 IDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1741274542 OSBZWQVGUMVVNS-AUSIDOKSSA-N 438.532 1.709 30 10 IDEE CN(C)S(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](F)(C#N)C1 1747606605 BEKMSMNUDXUHDD-FQEVSTJZSA-N 445.524 1.614 30 10 IDEE CN(Cc1ncnn1CC(F)F)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1747802415 HVVPBALXPJZPET-UHFFFAOYSA-N 445.434 1.520 30 10 IDEE CN1CCN(CCn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1748066923 DVZQKUVTVGJCPW-QFIPXVFZSA-N 426.544 1.732 30 10 IDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)c1 1748289729 PDISKUKTQICCRU-RDJZCZTQSA-N 432.550 1.867 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1748817801 QNWQROMBYRLNJM-MRXNPFEDSA-N 434.566 1.818 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1748867526 IMONTDHUTUTWFJ-ZJSXRUAMSA-N 443.592 1.750 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCNS(C)(=O)=O)CC1 1748978720 RORWFCSYEIITQN-FQEVSTJZSA-N 444.605 1.515 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCn2cncn2)CC1 1749000123 NTJXPGWSQXHCOR-UHFFFAOYSA-N 438.561 1.626 30 10 IDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1749039270 RVWUTUZBMVNJKQ-WBVHZDCISA-N 436.559 1.718 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(Cl)cn1 1750005249 ACAIGSWBCNCDGL-GOEBONIOSA-N 436.900 1.858 30 10 IDEE CC(C)(C)OCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750514766 FGAJWOBHFNRUPX-KRWDZBQOSA-N 438.536 1.917 30 10 IDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760150386 MLBIAYGIVDKUNJ-LJQANCHMSA-N 431.500 1.997 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2OC)CC1 1760155114 QCPBXROBWDHPSS-GOSISDBHSA-N 443.573 1.929 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1760189832 WZBJVMYRYLWWNK-OLMNPRSZSA-N 447.561 1.817 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCC(C)C)CC1 1760252686 UIUUFJFCQQINIA-UHFFFAOYSA-N 425.537 1.743 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H]2COCCO2)CC1 1760254745 JHINHDCTPRYYQG-IBGZPJMESA-N 441.532 1.523 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1760295001 LCPGQGYYQPCHFP-CRAIPNDOSA-N 443.520 1.648 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)[C@H]1C 1760517397 LDSAEBHCWRWUSB-HUUCEWRRSA-N 449.602 1.981 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CCC1 1760522148 MNHBIJUQMQGICE-MRXNPFEDSA-N 434.541 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@H](C(C)C)C1 1760549008 UVCJNBQFTVLPLC-INIZCTEOSA-N 441.623 1.693 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCOCC2)C1 1760550481 ZIPRNKOWVOOAGE-INIZCTEOSA-N 447.561 1.592 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1760689810 DQCKSZQCOSEQRW-MRXNPFEDSA-N 447.561 1.876 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1761362536 CWWQFRAKFVTNFM-KFWWJZLASA-N 428.584 1.245 30 10 IDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)COCCO1 1761577191 MFIAUUJKUZSGEB-VXKWHMMOSA-N 440.504 1.236 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@H]1N1CCOCC1 1765249517 SSPCUNZRBCCOIG-AZUAARDMSA-N 437.548 1.452 30 10 IDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1767796099 DDRNSDQVOAOZRZ-UHFFFAOYSA-N 439.520 1.867 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1769156906 KAZAHNITBWCHBL-HXOBKFHXSA-N 435.532 1.694 30 10 IDEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1770726999 KKDZPNRPYLPTSO-HNNXBMFYSA-N 437.504 1.620 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H]2CCC(=O)N2)c1 1770745749 CUHQWBFZXHUNKY-OAHLLOKOSA-N 434.422 1.989 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2sccc2C1 1771222102 FPXLLIBDABBWLH-FUHWJXTLSA-N 446.577 1.851 30 10 IDEE COCCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1771261005 QAHUGJIQGSORCK-WDYCEAGBSA-N 431.493 1.757 30 10 IDEE CON(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCN/C(O)=C1/N=CC=CC1=O 1771311399 UAVYOCHEOWVOFH-ZZEZOPTASA-N 434.460 1.859 30 10 IDEE C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1771488661 DKLXWAHCOWRPCJ-WOBHBMCKSA-N 430.509 1.253 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 1772566611 LRDRMTDSQPYIMF-CABCVRRESA-N 429.550 1.680 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1772567243 QWKIWBOVJSPXMZ-OALUTQOASA-N 443.552 1.541 30 10 IDEE COc1cccc(C#CCNC(=O)[C@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)c1 1850605764 UGEVPULCFGGRSB-GOSISDBHSA-N 448.541 1.445 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccc(C#N)cc3)CC2)cc1 1851386513 KJUGUZHVDWSQSN-UHFFFAOYSA-N 429.498 1.730 30 10 IDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1 1851415505 PBLOWINGPXVLPJ-UHFFFAOYSA-N 427.408 1.804 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1F 1853817741 IOICCANXJFGXGX-UHFFFAOYSA-N 431.445 1.308 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cnn(C(F)F)c4)C(=O)C3)C2)s1 1856292248 VFASQHXHRPLWNY-CQSZACIVSA-N 434.472 1.770 30 10 IDEE CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1856536187 KICIIGDNOSCNCG-MJGOQNOKSA-N 429.542 1.776 30 10 IDEE CC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858334420 HPQFQQFGVCZPJQ-QGZVFWFLSA-N 433.511 1.502 30 10 IDEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(OC)c1OC 1890313691 BZAYLHBACXZQQF-UHFFFAOYSA-N 445.560 1.584 30 10 IDEE Cc1nn(C)c(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1890953908 BUCDHFOTAHCBLY-STQMWFEESA-N 427.347 1.936 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1891574435 QZWYTCGHQXZPHA-DOTOQJQBSA-N 449.467 1.542 30 10 IDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 1984786341 OJQVDKSTGLIYPS-KBPBESRZSA-N 427.498 1.988 30 10 IDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2010546773 MQXPBYBRMFGSDM-HXUWFJFHSA-N 427.549 1.679 30 10 IDEE N#CCc1cccc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2195345904 NALWXGFHGXCJRG-SFHVURJKSA-N 431.470 1.832 30 10 IDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2247834414 VLVPGWGCZXUIJI-UHFFFAOYSA-N 438.355 1.759 30 10 IDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2255370750 WTHBUBDVDKFCID-UHFFFAOYSA-N 432.330 1.292 30 10 IDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2255537749 AGAZSKOKGNXJNO-UHFFFAOYSA-N 428.216 1.497 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C2(CC2)C1 2255631395 YEYHNTQTUJDQLK-CQSZACIVSA-N 432.330 1.838 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255644392 IUCCFPUFXHOUEV-ZFWWWQNUSA-N 432.330 1.809 30 10 IDEE CC(C)(C)OC(=O)N[C@@]1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCOC1 2255861190 AIKNPNCASHVXMG-OAQYLSRUSA-N 435.330 1.728 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2255864530 WYJLWCMBVVUSPP-GJZGRUSLSA-N 435.330 1.414 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256063458 VVGTWXLOSBJNNP-UONOGXRCSA-N 432.330 1.951 30 10 IDEE CC1(C)OB(C2CC(C(=O)N3C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C3)C2)OC1(C)C 2267089955 IYSPKKZBJGGNHW-POOIEITISA-N 447.263 1.240 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267592930 HQZMKTBESFFGSX-HUUCEWRRSA-N 444.341 1.715 30 10 IDEE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C2 2272632320 FNZOSEWPYCLMAG-JLCFBVMHSA-N 444.341 1.763 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCCN3C(=O)c4ccccc4S3(=O)=O)cc2C1=O 9701759 WTKUOZCPSMQHJZ-UHFFFAOYSA-N 440.433 1.470 30 10 IDEE CCc1nnc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)s1 20920778 WOYQCXJIZRCOPF-YAXRCOADSA-N 435.543 1.360 30 10 IDEE CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C#N)cc2)cn1C 35376216 TVIAKZASRWDSMU-KRWDZBQOSA-N 430.486 1.865 30 10 IDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)N3CCc4ccccc4C3)n[nH]2)cn1 59887427 JKLJUYHVRQILPO-UFFVCSGVSA-N 440.533 1.771 30 10 IDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)N3CCc4ccccc43)o2)c1=O 101350916 XEHRZMFHJNQCFV-UHFFFAOYSA-N 439.497 1.686 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C[C@H]1CCCO1 440384266 QGRLWZQLSXBGHY-GOSISDBHSA-N 439.537 1.040 30 10 IDEE Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n(C)n1 444099883 KAHAEADZNKQVGG-VQTJNVASSA-N 435.532 1.669 30 10 IDEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 464810856 GPDPPEVRCNWMMV-ICSRJNTNSA-N 443.548 1.947 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 466029714 JXESMWXJKUQRRC-QGZVFWFLSA-N 433.940 1.465 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 466071733 BPIDQISNORZLKZ-UHFFFAOYSA-N 449.861 1.762 30 10 IDEE Cc1nn(C)c(N2CCN(CC(=O)NCc3c(C)nn(-c4ccccc4)c3C)CC2)c1C#N 472178695 ZKDPNXGVCNACQP-UHFFFAOYSA-N 446.559 1.841 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2noc(-c3cccc(F)c3)n2)cc1 476912183 XTXSBQIOBUCMGO-UHFFFAOYSA-N 429.433 1.998 30 10 IDEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C(C)(C)C)cn1 479579865 VENGANQBGUBIMF-GHTZIAJQSA-N 435.532 1.724 30 10 IDEE C[C@]1(c2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 480865273 JSPVUBNWHVITCB-HTAPYJJXSA-N 449.492 1.767 30 10 IDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 488566180 NZMYHOQLBGNWMF-NWDGAFQWSA-N 432.868 1.975 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C[C@H]3CCCO3)c2=O)c1 489160000 XOMLHNAPWBJLES-GOSISDBHSA-N 446.532 1.934 30 10 IDEE N#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 500214526 AWCITXHKURMEQK-UHFFFAOYSA-N 429.458 1.683 30 10 IDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(c2cccnn2)CC1 508480270 FBBUYYFSQBZLDZ-UHFFFAOYSA-N 443.515 1.978 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)n(Cc2ccco2)c1C 511104388 FHFUGQNAIWDFBG-GOSISDBHSA-N 447.561 1.912 30 10 IDEE CCOC(=O)c1ccc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)nc1 533606652 GWLXYZQODDUOIG-UHFFFAOYSA-N 428.514 1.726 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1C[C@H]1CCCO1 584462857 LKXDIGITAHONQX-CQSZACIVSA-N 440.550 1.256 30 10 IDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCCO1 603798166 JHMGGPYXYYTJCP-QGZVFWFLSA-N 443.956 1.868 30 10 IDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)OC1(C)C 725382208 PCFOQCTYCGIHHR-UHFFFAOYSA-N 432.145 1.769 30 10 IDEE C[C@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742503420 YPWACGVWWSJERF-OAHLLOKOSA-N 438.513 1.119 30 10 IDEE C[C@H](CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742702437 CVPMPYXQLNBUBY-CABCVRRESA-N 430.534 1.022 30 10 IDEE C[C@H](C(=O)OCC(=O)NCc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752613256 HRBIWWXYOQUEGW-HNNXBMFYSA-N 429.498 1.772 30 10 IDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 764305854 XJKAGXVQCZTMAT-SNVBAGLBSA-N 435.845 1.815 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 767626778 IVVVHEJTKKNNEC-DFLMZXFUSA-N 445.541 1.853 30 10 IDEE CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2Cl)N(CCc2nnnn2C)C1=O 771553899 UMSWRIHBIIWVSZ-ZDUSSCGKSA-N 437.913 1.182 30 10 IDEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)[C@H]1CCS(=O)(=O)C1 776183676 VFJMFUYSBXJMKR-ZFWWWQNUSA-N 443.447 1.643 30 10 IDEE N#Cc1cccc(CNC(=O)COC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)c1 780254106 GJOATFMAYXNCQO-HSZRJFAPSA-N 437.452 1.803 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(CCCn2ccnn2)C1=O 784122997 AFOHWIYCTNVVTO-MRXNPFEDSA-N 432.506 1.453 30 10 IDEE CCOC(=O)c1ccc(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 784238649 RSHWHSFQTPIMSF-CQSZACIVSA-N 444.465 1.828 30 10 IDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 794584975 NENHRFXZJVWQFV-UHFFFAOYSA-N 446.598 1.207 30 10 IDEE C#C[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 810470129 COXGMGWVGLJXJO-JKSUJKDBSA-N 434.905 1.634 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CC1 814403364 ZNFQSYNXWKVVMA-CALCHBBNSA-N 430.571 1.672 30 10 IDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cc(OC)ccc3OC)n2)o1 1084438185 DUQAIJRZGHTPIY-UHFFFAOYSA-N 446.493 1.622 30 10 IDEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1C(=O)c1cscn1 1129610830 DHWXJOOFDNYZJI-AWEZNQCLSA-N 447.542 1.322 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C(=O)NC)nn1 1130382893 MUXUAZYAUVRREB-UHFFFAOYSA-N 434.250 1.887 30 10 IDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS(=O)(=O)C1 1138227442 NRJYCZGPQXJGDI-LBPRGKRZSA-N 426.336 1.650 30 10 IDEE C=CCC1(O)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1155857709 LGJNBKFPNXLTNX-UHFFFAOYSA-N 449.573 1.229 30 10 IDEE C[C@@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CCO1 1157516169 QZWPUUIJLXTHJD-OAQYLSRUSA-N 443.481 1.648 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ncc(I)cn2)CC1 1170382774 JXEHHFWUHIROKR-KBPBESRZSA-N 428.274 1.711 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H](O)CC4(CCOCC4)C3)C2=O)cc1 1175501898 UZOOLHFSFHXUEO-ROUUACIJSA-N 426.473 1.153 30 10 IDEE COC(=O)CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(OC)OC 1193281231 CSQKDHZRMSVVES-UHFFFAOYSA-N 430.423 1.657 30 10 IDEE CCN(CC(=O)NC1(C#N)CCC1)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1196176460 UBZMRNYCPLHYMX-KRWDZBQOSA-N 435.569 1.729 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](CC(C)C)N[C@H](C)c2ccccc2)CC1 1223831982 PALPQAYWFFJHDZ-TZIWHRDSSA-N 449.621 1.547 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)COC 1286296644 QHKYIROVILNUDE-IRXDYDNUSA-N 441.598 1.522 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(=O)(=O)NC 1286306722 XHSANZVSSFNJDR-KFWWJZLASA-N 440.570 1.056 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286389081 FNJNAYUUEWLBFY-INIZCTEOSA-N 437.566 1.649 30 10 IDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1286392904 CZLBZWXAIWSUEC-INIZCTEOSA-N 439.607 1.170 30 10 IDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1286398210 VDEVXMUCTAWRSP-HNNXBMFYSA-N 444.517 1.188 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1286404790 YFQUWRVECCKMJT-SFHVURJKSA-N 449.511 1.284 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)c(OC)c2)CC1 1286479853 OQDJVHGBAJITLH-KRWDZBQOSA-N 428.924 1.695 30 10 IDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1286709383 RSVUTMLPNAIGQW-IBGZPJMESA-N 443.504 1.260 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286784273 BWDALVXPYOAENL-HXUWFJFHSA-N 446.515 1.913 30 10 IDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC(=O)N(C)C 1287217802 DNYLEKJKMRMDRW-MRXNPFEDSA-N 425.541 1.647 30 10 IDEE CN(C)Cc1csc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1288930505 VOQRBHWNTVOUIY-INIZCTEOSA-N 426.502 1.598 30 10 IDEE C[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291093057 SKDBMOVFAZLPPI-MYDZZUQKSA-N 427.509 1.382 30 10 IDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)OC)CCN2C1=O 1295891153 XASBZMNKSMZJJQ-KRWDZBQOSA-N 437.504 1.714 30 10 IDEE CCN1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1296058902 DYYUTSVXXKGTJS-VQIMIIECSA-N 445.593 1.881 30 10 IDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300416839 KNHIBXOQECQXGG-KRWDZBQOSA-N 441.561 1.400 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@](C)=O)CCC1 1300440237 QDYRULGYEVIVKI-LJAQVGFWSA-N 449.602 1.566 30 10 IDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300482742 HFKXDKIBEHGEBK-QGZVFWFLSA-N 448.545 1.626 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300491419 HOFKHMSXMTVDGK-ICSRJNTNSA-N 448.637 1.198 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 1300658485 WWXGGJYXWHRZLX-MRXNPFEDSA-N 449.529 1.106 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)NCCC)c2)CC1 1300695802 KERKPFRTAXHOIT-UHFFFAOYSA-N 446.559 1.622 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1300731157 DAAVKIFVMJFVIH-SFHVURJKSA-N 445.593 1.501 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 1301130602 CQZPCPKYUPRENB-WBVHZDCISA-N 448.589 1.903 30 10 IDEE COCCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301610941 ZNXYNLWRKCINEK-UHFFFAOYSA-N 449.563 1.835 30 10 IDEE C=CCSCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OCC)CCOC1 1301621006 OLIAJEGPITVIPF-NRFANRHFSA-N 435.594 1.956 30 10 IDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCOCC2)CCO1 1303009285 HLRKZFLZHSHSAW-LJQANCHMSA-N 446.939 1.962 30 10 IDEE CN(CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C[C@H](O)c1cccc(C#N)c1 1307909277 PFCJFQDMLDGHQK-QHCPKHFHSA-N 434.540 1.803 30 10 IDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1314642341 FNTUUZQGGIBWTL-UHFFFAOYSA-N 437.548 1.332 30 10 IDEE COc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1315429845 TZXYKARRYFTLEF-DPPKGPFUSA-N 438.488 1.705 30 10 IDEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315823753 YPQOFEHDWKHQQU-IAGOWNOFSA-N 446.531 1.397 30 10 IDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCC(=O)N2CCCCC2)c1 1316529668 BQFKHWGPKZNVPZ-UHFFFAOYSA-N 426.546 1.788 30 10 IDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccn(C)n2)CC1 1359030867 JBGXBBUAUMVGDR-UHFFFAOYSA-N 429.326 1.573 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(F)(F)Br)CC1 1359040171 KNNLHUCMJAOSSM-KBPBESRZSA-N 448.312 1.745 30 10 IDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359075884 JOVMRACEKBVVHH-INIZCTEOSA-N 446.371 1.340 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359292947 BQTKAUGQTCOXMG-OYHNWAKOSA-N 442.495 1.718 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC1 1444985777 JHJNIDOWFMJKKJ-INIZCTEOSA-N 436.534 1.832 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCc3ccc(C#N)cn3)CS(=O)(=O)[C@H]2C1 1450773172 JPYMWAATSPCYRF-OIISXLGYSA-N 434.518 1.240 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3n2CC(F)(F)F)CC1 1455115036 KQTSISMKLVCMBG-UHFFFAOYSA-N 428.436 1.429 30 10 IDEE CCOC(=O)C1([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1456545587 DHHGAVQTPFZEGC-LSDHHAIUSA-N 437.518 1.090 30 10 IDEE CC(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457202731 RNIJCNLQLUPEIZ-WIYYLYMNSA-N 435.528 1.998 30 10 IDEE C#CC1(O)CCN(CC(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)CC1 1460517673 SBPBOWBRYWAOGU-UHFFFAOYSA-N 431.533 1.719 30 10 IDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)CC2(C#N)CCOCC2)C1 1462719746 ICPNPLOBRWCPRX-HNNXBMFYSA-N 429.539 1.237 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CC1 1468202435 MMQDTQJLXRUDKM-UHFFFAOYSA-N 447.492 1.308 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCn2ccc(O)nc2=O)C1 1472280027 TVYWIVPKYKPBNF-UHFFFAOYSA-N 432.278 1.226 30 10 IDEE Cn1nnc(Cn2c(-c3ccccc3Br)nnc2N2CC[C@](F)(C#N)C2)n1 1503687537 ORMKMRNQVJMLFJ-INIZCTEOSA-N 432.261 1.721 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(C(C)(C)C)s1 1504887823 FBJLJZLACVZZNA-ZDUSSCGKSA-N 432.554 1.793 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCCn2cnnn2)cc1 1505315725 APZDFIZGMSIQFN-UHFFFAOYSA-N 428.451 1.281 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1505324745 ORVSIDWVZUMFIE-RBUKOAKNSA-N 429.569 1.596 30 10 IDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507592623 WFFJKAGILDUJQM-LJQANCHMSA-N 441.580 1.167 30 10 IDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1507622272 CSQYLPDHUFLFQQ-MRXNPFEDSA-N 449.964 1.745 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507626615 BFAWGRYDVSLKFW-GOSISDBHSA-N 441.557 1.406 30 10 IDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1507630118 TXXVIYBBYSJZSA-HNNXBMFYSA-N 449.964 1.751 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C2OCCO2)c1 1507702542 JRUGDJOUPJKVQR-UHFFFAOYSA-N 439.516 1.694 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1 1507710933 MPYBZOICFLYICO-MSOLQXFVSA-N 432.546 1.734 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1507805425 MSZOECUVAPSDMU-SOLBZPMBSA-N 439.520 1.608 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507844110 BZMRJDAXCFHLBI-SFHVURJKSA-N 429.525 1.699 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507863423 FMCWBUHLIKSPFY-OAHLLOKOSA-N 430.896 1.650 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1508081380 YLLMWFTYWNTNCJ-UHFFFAOYSA-N 437.504 1.748 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCS(=O)(=O)C2)C1 1508132030 PZUSTWMGYYCKGZ-MSOLQXFVSA-N 434.566 1.356 30 10 IDEE C=CCS(=O)(=O)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCC(=O)N1 1508149189 PXPBFKIPBIYXJM-OLZOCXBDSA-N 441.464 1.350 30 10 IDEE CC(C)(O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1508719738 VJSKMPJEUCSSHN-GOSISDBHSA-N 447.499 1.930 30 10 IDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(N(C)C)CCSC1 1512357293 ATIBZJWVPCGMRV-OPAMFIHVSA-N 439.589 1.921 30 10 IDEE N#C[C@]12CN(C(=O)[C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1537005787 MCCRJQNTWXXBDL-OAVHHTNSSA-N 442.324 1.743 30 10 IDEE N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(I)c1 1538266637 UEIAJNWWGNLASJ-KUDNYVPYSA-N 447.232 1.908 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1539226035 SXAFEGSMWJSZBU-KRWDZBQOSA-N 431.587 1.786 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2OCC[C@H]2C)CC1 1539488177 JEISDFDKKKRSBA-OXQOHEQNSA-N 439.564 1.531 30 10 IDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1539697955 APLVCCHIDNAFGH-UHFFFAOYSA-N 440.552 1.195 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1539977096 JXEKUPXKYXEYKP-UHFFFAOYSA-N 445.612 1.953 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](NC(C)=O)C1 1540874158 XBFXMVCOHWTKGS-LJQANCHMSA-N 435.532 1.688 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(C)=O)nc2)C1 1540881381 HPORGDNWQRBBPM-KRWDZBQOSA-N 427.509 1.599 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)cc1 1542161521 GLNCNCYACNHTPU-BSYQWNDESA-N 446.533 1.819 30 10 IDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)OC 1544352122 OQJLXDXPTZNKKP-RHSMWYFYSA-N 439.490 1.620 30 10 IDEE C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1544773279 YACPWXYJNNKXSW-ITZAQCPESA-N 426.452 1.836 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 1546204586 PZPQWSYEYDJWSR-KRWDZBQOSA-N 437.537 1.553 30 10 IDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(OC)nc1OC 1546532797 VAKYICUPENZVPN-UHFFFAOYSA-N 434.504 1.894 30 10 IDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1547311662 DHSLXSXBQJKLGU-PXNSSMCTSA-N 437.548 1.452 30 10 IDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1552408773 GPPOOJDCVRBDKI-HDICACEKSA-N 444.561 1.760 30 10 IDEE COc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1554903560 GRISMASOMPSHLT-LIRRHRJNSA-N 436.513 1.582 30 10 IDEE COC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555348863 JWCKBPOGNGWCCF-BSBNDGSWSA-N 437.504 1.729 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1555650852 VURKMLBVZHAWLM-GUYCJALGSA-N 432.447 1.811 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CC1 1555666021 WKJXFBRYXJIOIW-MRXNPFEDSA-N 427.509 1.120 30 10 IDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1555690879 UZYOTOMBSCJRAP-SFHVURJKSA-N 433.534 1.493 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1556610206 ZRDYQEMZRPITIM-IAGOWNOFSA-N 437.518 1.474 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1 1558757832 URIQHQCUTDSIQO-MUUNZHRXSA-N 440.591 1.025 30 10 IDEE C#CC[C@H](CO)NC(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1564648589 KUAUCDHRJZOUDG-IAGOWNOFSA-N 441.313 1.939 30 10 IDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1 1570810985 AXAOQQFCCRYFGO-OAQYLSRUSA-N 442.497 1.800 30 10 IDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587904225 BKSUZJBBFDIRQZ-KRWDZBQOSA-N 446.515 1.663 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1588646298 IPMDXNQKZSIYJS-INIZCTEOSA-N 437.591 1.582 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CCC(=O)N(C)C)CC1 1588877237 XXLKGRYYYUJCDD-UHFFFAOYSA-N 442.589 1.813 30 10 IDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1594237888 YGIBFFULFYJFKS-CVEARBPZSA-N 428.580 1.017 30 10 IDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1595054818 RKQUZYRYQXPBKS-OAHLLOKOSA-N 442.607 1.692 30 10 IDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1595398335 AEIHSYMQWFIDFL-HNNXBMFYSA-N 438.579 1.982 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C 1595884916 WXPBOBQBNXWWIS-PMPSAXMXSA-N 429.612 1.765 30 10 IDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1595938700 VEUFAVOZYSKLJV-GOSISDBHSA-N 429.498 1.935 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1596813288 HJIPKWYJBAMHQW-HNNXBMFYSA-N 443.533 1.757 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1613674733 FOMOQRQNCAIQJQ-GOSISDBHSA-N 447.561 1.903 30 10 IDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1620080708 HNOWXYBCNWOYDD-KRWDZBQOSA-N 442.476 1.033 30 10 IDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(I)s2)C1=O 1622074532 JJGZTKGPOSGTRZ-VIFPVBQESA-N 426.301 1.760 30 10 IDEE COCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c1 1623710438 JZFYIOGXCHAEKT-UHFFFAOYSA-N 447.517 1.635 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CC2)c1 1623849575 DAMMVIBTZKYYIT-OAHLLOKOSA-N 431.543 1.203 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 1624451499 WRIZJKFJXULMGA-UHFFFAOYSA-N 430.534 1.613 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC3CCOCC3)CC2)s1 1628341168 RBSXDYIXNGOURA-UHFFFAOYSA-N 427.592 1.326 30 10 IDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1630204200 KZCRBKDYRXFHGG-CQSZACIVSA-N 433.468 1.868 30 10 IDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21)c1cc[nH]n1 1632428629 RKXGGNGQJLVKSL-INIZCTEOSA-N 442.472 1.716 30 10 IDEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632524322 KHGBJKGFFYNSLM-LBPRGKRZSA-N 439.490 1.604 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 1632546257 AYOAPLICYJOZFX-UHFFFAOYSA-N 426.517 1.956 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)s1 1635856453 KUZDNVMDBPDWCF-CYBMUJFWSA-N 447.579 1.099 30 10 IDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1636709095 JLAOCWORTARBGL-ROUUACIJSA-N 445.004 1.935 30 10 IDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Cn2ccnn2)C1 1641241865 PUXYAWLRJREEEV-MRXNPFEDSA-N 430.534 1.426 30 10 IDEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1641578452 QKWALIKOHYVOGR-MRXNPFEDSA-N 426.560 1.838 30 10 IDEE C=C(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1651052530 QJWASSFJCDVRQS-MRXNPFEDSA-N 440.518 1.530 30 10 IDEE C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)N1CC(F)(F)F 1653306915 SYYOYGTVCZAMPM-BETUJISGSA-N 432.468 1.599 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@](O)(Cc3nc(CC)no3)C2)c1 1659965249 FHTGGFKGUPIILT-NRFANRHFSA-N 431.514 1.639 30 10 IDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1671495606 USYQISMIOAQQCJ-SIRPWMCASA-N 435.525 1.912 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 1675820725 FQZSRJALKIVLDO-UHFFFAOYSA-N 430.310 1.933 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)CC1 1677639300 ZYRHTIHPLYPHJA-MRXNPFEDSA-N 447.586 1.974 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3csc(C)n3)cc2)CC1 1678292024 VRGPGHXLLKWNRP-UHFFFAOYSA-N 433.559 1.413 30 10 IDEE O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NC[C@H](O)C(F)(F)C(F)(F)F 1686261697 MYKHWZMFLVCWID-JTQLQIEISA-N 441.325 1.101 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689846866 OGBHQWXJBNTYRH-BQFCYCMXSA-N 429.550 1.397 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689862674 DWUCLIONWZNAEY-QZTJIDSGSA-N 431.562 1.905 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1690003185 GFKDCRXGQZMHSJ-QFIPXVFZSA-N 431.537 1.870 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCOCC1 1690100136 YIFKXZOTANGATD-HXUWFJFHSA-N 449.559 1.938 30 10 IDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690169890 RIBDBEMBELRHSS-UHFFFAOYSA-N 428.566 1.685 30 10 IDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690451538 JERVLERQKXYVHN-KSSFIOAISA-N 426.543 1.276 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1690577772 MLGQEQMBYVSRJS-INIZCTEOSA-N 449.602 1.961 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1690660794 OLNRVVUWHVCRQN-CVEARBPZSA-N 444.511 1.951 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](OC)C1 1690669084 TUJHZWDCCSXDRH-OAHLLOKOSA-N 437.504 1.109 30 10 IDEE CCc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694694790 UOOVMNZVDNRDMD-CZIZESTLSA-N 429.525 1.108 30 10 IDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1696484948 DEEFOMUEURIBLP-UHFFFAOYSA-N 444.561 1.592 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705566665 PIEGRGSSQCFKIQ-MRXNPFEDSA-N 434.591 1.965 30 10 IDEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1710564732 CVTDUMUKYXGFFR-YADHBBJMSA-N 444.511 1.764 30 10 IDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722358361 AVNHJBQOLHWVDK-AEFFLSMTSA-N 430.530 1.617 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1722392919 WKXMAPNCBLXISW-KRWDZBQOSA-N 448.483 1.167 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC 1722469622 CPGJDCSCAMZMJS-HXUWFJFHSA-N 429.550 1.366 30 10 IDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)CC1 1722575002 VHXSEHHIBKHMJS-GFCCVEGCSA-N 429.497 1.931 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722700831 WLFQXYFCCKOEQU-HSZRJFAPSA-N 436.491 1.803 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1724009921 GSWOWPMPDZOIQH-QHCPKHFHSA-N 435.532 1.624 30 10 IDEE C[C@]12COC(=O)N1CCN(c1nnc(-c3ccc(C#N)cc3)n1CC(=O)NCC(F)F)C2 1724048651 APRFHMCBVGMDSB-FQEVSTJZSA-N 445.430 1.229 30 10 IDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1729467706 BUCGYDZEOFKQMM-SFHVURJKSA-N 434.504 1.975 30 10 IDEE CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C(=O)OC(C)(C)C 1729518400 ACKJZVLDRYXQEW-JLTOFOAXSA-N 435.504 1.928 30 10 IDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)CC1 1729669068 BNZMIGDIUMEBFA-UHFFFAOYSA-N 426.521 1.832 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1730629402 FOACGBXQOACMAJ-WIYYLYMNSA-N 447.561 1.618 30 10 IDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1730730666 GGZGJETUOZIJMO-SFHVURJKSA-N 432.550 1.018 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC 1740532076 XOPHEPHHNUCCGX-AWEZNQCLSA-N 437.953 1.754 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCS(=O)(=O)C1 1740537875 IDGNENBZHFGLTF-STQMWFEESA-N 440.367 1.939 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cc2ccccc2[nH]1 1740611096 UFGZGGPZGOFZBV-IBGZPJMESA-N 442.545 1.404 30 10 IDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCCCS(C)(=O)=O)CC1 1740698724 MOMQBOFJYBGSBY-UHFFFAOYSA-N 447.609 1.110 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2cccs2)CC1 1740701167 WXJCLXCJLIHMJM-LQBOVUBWSA-N 445.589 1.727 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCCC2)CC1 1740702907 YWOPCVHPXDRHNU-KRWDZBQOSA-N 433.553 1.273 30 10 IDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740790699 VZZYXCUGTZJTBD-UHFFFAOYSA-N 435.550 1.628 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1740952197 XAAKSEOVDXSKOC-HNNXBMFYSA-N 438.540 1.167 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740960390 QLRPKPBTLZLQSK-WMZOPIPTSA-N 429.525 1.269 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F 1740960693 YAKPRLGTPQYQFV-AWEZNQCLSA-N 439.488 1.397 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740961070 KPEDOKHEVNFVKL-UHFFFAOYSA-N 440.548 1.837 30 10 IDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 1743950025 CIDWQCNCALMZBF-YTQUADARSA-N 429.546 1.983 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1748819694 RPMXIGMMUKJHQR-MOPGFXCFSA-N 427.530 1.583 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748983915 CALLLCUOQYGRHF-NRFANRHFSA-N 431.544 1.830 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(C(N)=O)CCOCC2)CC1 1749004862 ONWGBQTZBRZFCE-MRXNPFEDSA-N 430.553 1.040 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1749115110 LOMXXVFNAFFQJK-HKUYNNGSSA-N 432.569 1.750 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1749226490 QSBDLFOHGUCDSG-KRWDZBQOSA-N 446.552 1.755 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[C@@H](C(N)=O)C1 1749659179 WSYZUEJWBPGOSY-ZIAGYGMSSA-N 428.562 1.745 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749659671 HNNVKHYFNDKHLV-QGZVFWFLSA-N 433.516 1.758 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1749676512 SRWZRPURDUSAIT-UHFFFAOYSA-N 438.561 1.345 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@@H]1C 1749724038 GKFQWJHXUZCCDM-LBPRGKRZSA-N 444.355 1.862 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749767449 SWOXLSZQROQWIB-WOJBJXKFSA-N 437.548 1.500 30 10 IDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnn(CCOC)c1)[C@H]1CCS(=O)(=O)C1 1760186939 HCERNPADNLKADH-IBGZPJMESA-N 446.577 1.454 30 10 IDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCN1CCN(Cc2ccccc2)CC1 1760231862 JTVWWXQFTIKIKF-UHFFFAOYSA-N 432.576 1.956 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2C[C@@H]2C)CC1 1760260826 CFMHUQXNPZZSCM-OTWHNJEPSA-N 444.580 1.998 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)C2CCCCC2)CC1 1760261526 SRYWTYYKYPRPTD-UHFFFAOYSA-N 441.624 1.810 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC 1760292511 CCAHSXQBYAVCEH-OAQYLSRUSA-N 439.545 1.672 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCCOC)C1 1760335717 PUWPOPCHZKZWJC-MLYOOKFZSA-N 433.553 1.842 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 1760523097 MCJSHDYVDNGTBM-QLCIJSRNSA-N 441.561 1.916 30 10 IDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H]1C 1760531932 FOQBEQMHDGPSRF-CVEARBPZSA-N 435.550 1.727 30 10 IDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1761449634 FFIGJIFBAOQPSI-OAHLLOKOSA-N 448.549 1.076 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCOCCN(C)C)CC2)c1C#N 1762402709 HIMPJOJWSABOMB-UHFFFAOYSA-N 443.600 1.295 30 10 IDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1767655947 GLVAYEOLTGMBRR-LJQANCHMSA-N 425.537 1.357 30 10 IDEE CC[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768323539 GEIKKLFBOBFUDU-DRKIFQHWSA-N 443.577 1.534 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 1771530240 FUNLJRTUDLCNAL-IFXJQAMLSA-N 437.472 1.873 30 10 IDEE COc1ccc(S(=O)(=O)N[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C(C)C)cc1 1772793255 VXOVOQQQEHKUMB-QGZVFWFLSA-N 432.454 1.753 30 10 IDEE COc1ccc(CNC(=O)CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1OC 1850523143 LUEJBSJXKICUGP-UHFFFAOYSA-N 428.533 1.794 30 10 IDEE Cc1nc(C(=O)OC[C@@H](C)N2CCS(=O)(=O)CC2)c(C#N)c(C)c1Br 1851799387 KWSPTVVQPUYVEG-SNVBAGLBSA-N 430.324 1.608 30 10 IDEE CN(C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc(F)cc1F)[C@H]1CCOC1 1853033033 VVBRZBSSSHSCDN-PKOBYXMFSA-N 449.479 1.973 30 10 IDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 1857128982 DXOCRCVLFKHVBP-CQSZACIVSA-N 425.466 1.555 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2ccc(C#N)cc2)n2ccccc12)[C@H]1CCS(=O)(=O)C1 1858242088 PKSKAZRXJOCKTG-INIZCTEOSA-N 437.481 1.717 30 10 IDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518206 URYZVXWGSAKFEN-UHFFFAOYSA-N 428.453 1.244 30 10 IDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccccc3S(C)(=O)=O)CC2)CC1 1889472265 HZDOSKAWEAQWSL-UHFFFAOYSA-N 447.601 1.352 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2025606278 KBJUSUZBMZQGHB-ROUUACIJSA-N 429.521 1.382 30 10 IDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC(=NO)C1 2108230474 ZCJBYWXJENWWMJ-YJYMSZOUSA-N 425.482 1.951 30 10 IDEE COC1(CCNS(=O)(=O)N2CCC[C@@H](C#N)C2)CN(C(=O)OCc2ccccc2)C1 2174778990 DMGHOEIGNFPPPH-SFHVURJKSA-N 436.534 1.484 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248402595 YWEQGWFRZCHEOA-NSHDSACASA-N 442.347 1.128 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)[C@@H](F)C1 2248420333 RXACDOGIEHRIQX-MNOVXSKESA-N 442.322 1.403 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2248443209 XIPPNHOWOFTIJX-AWEZNQCLSA-N 440.371 1.939 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2255624230 WQFZPWYDMNVPQG-ZIAGYGMSSA-N 434.346 1.895 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C2)C1 2255631195 VMBQMPWRULMKSH-UHFFFAOYSA-N 432.330 1.838 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2255653863 OYUXJOMQQUIZDS-KBPBESRZSA-N 434.346 1.895 30 10 IDEE C[C@@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255854669 FLNNSZZONJPSNC-CYBMUJFWSA-N 436.314 1.679 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2256060500 NHCHKIUHQMOBET-WDNDVIMCSA-N 430.314 1.371 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CCO1 2256060736 IXNALDAYANDJFQ-CYBMUJFWSA-N 434.302 1.447 30 10 IDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2257490349 AQRHCGCGVMXBGV-OAHLLOKOSA-N 435.330 1.305 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@]2(C)CCCN2C(=O)OC(C)(C)C)n1 2267115203 HIPRTYRIZHEBLN-NRFANRHFSA-N 449.361 1.634 30 10 IDEE C[C@H]1[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267115796 LOBQURWKBVIWTC-KBPBESRZSA-N 449.361 1.632 30 10 IDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCC12OCCO2 2267704893 UJBHGBYRBUECDV-AWEZNQCLSA-N 429.369 1.930 30 10 IDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267873467 YUCPUKUKSPFUNE-NWDGAFQWSA-N 442.247 1.447 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267880470 BAAYTSYEBPTLOT-KBPBESRZSA-N 448.329 1.045 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2317606627 YATAARLWUFLLQQ-HNNXBMFYSA-N 435.330 1.650 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)n1C 2337324190 RFZVUXDFKRZFRR-CABCVRRESA-N 446.357 1.862 30 10 IDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)N3CCc4ccccc4C3)n2N)cn1 20921732 SBUFMSSRCPEHNE-LSFURLLWSA-N 439.549 1.892 30 10 IDEE N#Cc1cccc(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)c1 440130325 YJVPWPWVAKBPKT-IBGZPJMESA-N 441.509 1.808 30 10 IDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccn2)n1C[C@@H]1CCCO1 460936583 QQRMGBCZTBDSGH-IRXDYDNUSA-N 431.504 1.896 30 10 IDEE CSc1nc(O)c(C(=O)Nc2cccc(S(=O)(=O)NCCN(C)C)c2)cc1C#N 462753107 GKPSVUNVBJEIQD-UHFFFAOYSA-N 435.531 1.473 30 10 IDEE C[C@@H]1[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1 466797517 WMNBJTQIPULWAC-UZLBHIALSA-N 425.510 1.779 30 10 IDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)o1 471186375 HSASVUQEBYIPNV-QGZVFWFLSA-N 427.526 1.370 30 10 IDEE COC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 473109118 CKLOZTYGJSUFEV-FQEVSTJZSA-N 442.541 1.832 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 477769289 KWEOHHYYSQSXOL-GOSISDBHSA-N 448.545 1.122 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C[C@H]3CCCO3)c2=O)c1 478755651 ODLDGDPUNVBXQO-RBUKOAKNSA-N 438.549 1.896 30 10 IDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C#N)c2=O)n1 479393632 LFCKXWWWWOTABU-UHFFFAOYSA-N 430.489 1.902 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)CC1 503643394 PLPXBXWDLGWDKV-GOSISDBHSA-N 425.316 1.951 30 10 IDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)COc2ccc(C)cc2)CC1 508824127 HFJQUUYKXANPBP-LJQANCHMSA-N 427.505 1.588 30 10 IDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 510345991 JEUZVWTUJWZCPY-ZDUSSCGKSA-N 444.488 1.780 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C[C@@H]1CCCO1 512725183 KUHHKFZFPAKLOU-HNNXBMFYSA-N 449.935 1.909 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@@H]1CCCO1 518217470 WLPUIKPPKHOEFP-SFHVURJKSA-N 425.554 1.735 30 10 IDEE COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)ccc1C#N 520904656 OKXUOEOOPZTLHD-UHFFFAOYSA-N 445.497 1.526 30 10 IDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCOC2)c1=O 533544938 YZRIJBUURDZTHX-CYBMUJFWSA-N 430.551 1.889 30 10 IDEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 544841421 NPUWNMDGQLQYKO-UHFFFAOYSA-N 429.502 1.109 30 10 IDEE COc1ccnc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H]3CCOC3)CC2)n1 573582165 IWCSTAULRZJVCE-SFHVURJKSA-N 446.515 1.978 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](CNS(=O)(=O)C4CC4)C3)CC2)nc1 588331624 IBROMAPYBXQQDZ-QGZVFWFLSA-N 446.577 1.425 30 10 IDEE N#Cc1ccc(NC(=O)CS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 604125985 AINNBIZPOSZTLK-UHFFFAOYSA-N 448.526 1.540 30 10 IDEE C#CCN(C(=O)CS(=O)(=O)Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 729335463 PIUHJQPQBHLNPV-HNNXBMFYSA-N 448.360 1.013 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H](C)CN2CCN(C)CC2)C1=O 730137086 CRILUUGIRLBCTA-MAUKXSAKSA-N 428.562 1.262 30 10 IDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1C[C@H]1CCCO1 730138812 NGWZEHXTFALCRX-CRAIPNDOSA-N 434.562 1.874 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(F)F)CC1 747201766 JCTCPHSMNDQWKX-OAHLLOKOSA-N 428.505 1.549 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2=O)cc1 754420208 KWPXYYLKIFXEAM-LJQANCHMSA-N 432.480 1.981 30 10 IDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1 755085179 FENYSDBOIZUWFU-UHFFFAOYSA-N 446.573 1.283 30 10 IDEE O=C(NCC#CC(=O)N1CC[C@@](O)(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757470209 DJJZHZJAZDQPMH-DEOSSOPVSA-N 434.448 1.577 30 10 IDEE C#CCN(C(=O)c1ccc(OC)cc1I)[C@@H]1CCS(=O)(=O)C1 760428414 DWXWPUIRELCQJF-LLVKDONJSA-N 433.267 1.562 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCc2ccn(C)n2)cc1 760453234 CVRBHTLZRKBFDQ-IBGZPJMESA-N 442.589 1.971 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 767627709 BEHJLUZVLMNBEI-HNNXBMFYSA-N 440.481 1.405 30 10 IDEE COc1cc(C#N)cc(Br)c1OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 769717155 KOXGZYULVFEIFU-UHFFFAOYSA-N 438.259 1.732 30 10 IDEE COc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771537725 LXLITEMMSMAXHB-HNNXBMFYSA-N 429.506 1.062 30 10 IDEE COc1ccc(N2CCN(C[C@H](O)CN3CCN(c4ncccc4C#N)CC3)CC2)cc1 779214572 BNCJMBBMACFNGO-QFIPXVFZSA-N 436.560 1.267 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1 780208677 DGQSWRGLARASNV-AZUAARDMSA-N 434.514 1.483 30 10 IDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1 781019462 JGQGEZKREXAIBP-DHIUTWEWSA-N 432.524 1.927 30 10 IDEE COCCN(Cc1ccnn1C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785697953 LQFNLVBUPRQSLF-NMWGTECJSA-N 448.549 1.913 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=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 800429167 AFJSMQITNLMRON-HQZRKZPYSA-N 425.510 1.765 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)C3CCN(C(=O)OCC)CC3)cc2C1=O 802994408 RUVRVSDFDASEAA-UHFFFAOYSA-N 449.485 1.149 30 10 IDEE C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(N2CCCC2=O)cc1 803602859 YWKFAVODYZFTID-KRWDZBQOSA-N 446.511 1.606 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 809890144 UTJCJUVHFDCVFQ-SJORKVTESA-N 434.541 1.877 30 10 IDEE CS(=O)(=O)N(Cc1ccccc1)N=Cc1ccc(S(N)(=O)=O)c(Br)c1 814237731 WRTQZSQGAMIYTN-UHFFFAOYSA-N 446.348 1.892 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NCC3CC3)nn2)cc1 826779328 XUQUINDBIWQFQL-GOSISDBHSA-N 442.545 1.923 30 10 IDEE CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)ccn1 856656223 MPFVDQHFDMRBOO-VLZBMTSBSA-N 441.532 1.818 30 10 IDEE Cc1sc2ncn(CCC(=O)NS(=O)(=O)Cc3ccccc3C#N)c(=O)c2c1C 916776062 QLXMTDKASJNNAP-UHFFFAOYSA-N 430.511 1.983 30 10 IDEE Cc1nnc(NN=C(C(=NNc2nnc(C)n2N)c2ccccc2)c2ccccc2)n1N 1084083855 AVAINYLDBKRJMH-UHFFFAOYSA-N 430.480 1.247 30 10 IDEE COc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1OCC(=O)NC1CC1 1116172895 FAEIKHMFJOKBKF-MRCUWXFGSA-N 428.445 1.208 30 10 IDEE COCCN(C(=O)c1cscc1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1124597151 LRSQPTYIDUNXLG-UHFFFAOYSA-N 425.470 1.806 30 10 IDEE Cc1c(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cnc2c1c(=O)n(C)c(=O)n2C 1132691095 TWVZYQSOOYPBRX-OAHLLOKOSA-N 431.374 1.846 30 10 IDEE C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1=O 1138077383 OZHQEINQLGIYEE-LJQANCHMSA-N 430.417 1.235 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)s1 1142363472 HULRPWGKDFGTPX-INIZCTEOSA-N 427.592 1.468 30 10 IDEE C[C@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)C1 1148505462 IOULDFUWHXFKRI-NVXWUHKLSA-N 447.966 1.184 30 10 IDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)CC1 1150001066 UEHIZGHVDBLSIJ-INIZCTEOSA-N 427.461 1.039 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](CO)C[C@@H](C)C3)nnc12 1161487545 QYSGLAYUCOKHSD-CABCVRRESA-N 427.530 1.799 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC(NS(C)(=O)=O)C1 1167138554 SFPAFVLMKRTLST-QGZVFWFLSA-N 434.518 1.153 30 10 IDEE CCN(CC)C(=O)CN1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1230534662 HDENQWCZEILVAM-UHFFFAOYSA-N 440.592 1.718 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCC(C)C)[C@H]1CCS(=O)(=O)C1 1286390272 ZVDFFXMKZFQMRR-KRWDZBQOSA-N 436.607 1.695 30 10 IDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286395010 YQDLFXRTVREURZ-QGZVFWFLSA-N 432.546 1.297 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCNC(=O)OC(C)(C)C)CC1 1286482402 RBHLRWSXEBGAHB-UHFFFAOYSA-N 439.564 1.934 30 10 IDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1286707844 KVWHLIFDQYWJMY-KRWDZBQOSA-N 437.508 1.215 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1286773504 PMGPOHAFDAKIPH-SQNIBIBYSA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1286781372 RBTPUPODAPBBSN-RTBURBONSA-N 445.612 1.521 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(=O)N(C)C)CCCC2)C1 1286799272 UQXMUBQZACJBAI-SFHVURJKSA-N 444.580 1.944 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C)C1 1286818392 HWSZYLCFTFILCB-KRWDZBQOSA-N 442.545 1.957 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1286831886 LHJOYYQVZUARIK-XHSDSOJGSA-N 441.623 1.622 30 10 IDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1286988949 PTUQSSMFBOINEJ-QHCPKHFHSA-N 438.532 1.975 30 10 IDEE CC(C)(C)[C@@H]1OCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1287018906 GIBWABPQOXRVAZ-MBOZVWFJSA-N 430.553 1.971 30 10 IDEE C#CC[C@H](CCOC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1287418554 CBFVIYAPQIVDQP-BEFAXECRSA-N 436.306 1.761 30 10 IDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1290266287 CDHXEHFGTOASGY-NRFANRHFSA-N 443.529 1.435 30 10 IDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 1290342097 COKVBOKQQXUUMA-UWJYYQICSA-N 442.541 1.368 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291985897 HCTHMOZJNLTRLL-ZPHPHTNESA-N 429.525 1.712 30 10 IDEE CO[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1299561706 MJIBQMFIQHTEAC-ZACQAIPSSA-N 426.525 1.584 30 10 IDEE COc1ccc(N(C)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1300280228 MHDITZNXSAPJNH-INIZCTEOSA-N 430.530 1.828 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(CC)n1 1300308606 CZYRRHPIUDJTLX-HIFRSBDPSA-N 438.579 1.136 30 10 IDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1300404075 VMDPGQNWIVBBTP-SFHVURJKSA-N 444.561 1.366 30 10 IDEE C#CCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424630 JWPUBPDJKDTBOU-KNQAVFIVSA-N 428.537 1.834 30 10 IDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1300491510 HWYFMGYGHAAAMN-DOTOQJQBSA-N 449.483 1.182 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(C)=O 1300509444 LNYNERGBBVXBRF-UHFFFAOYSA-N 426.908 1.461 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1300537312 DJNVOSSYNWGLCA-GOSISDBHSA-N 440.525 1.463 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1nc2cc(OC)ccc2n1C 1300553498 JOCMCSUNQCWWQJ-UHFFFAOYSA-N 433.516 1.823 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccnc2OCC(F)(F)F)CC1 1300710219 XBFJYLPCYPCPGJ-UHFFFAOYSA-N 438.454 1.954 30 10 IDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300762479 QLYSXESJQQOLJJ-MOPGFXCFSA-N 430.578 1.949 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1300952347 SJYFRZIJWCJVSY-IAGOWNOFSA-N 441.598 1.971 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301502349 GCMKHJZWGGGOGK-QRQCRPRQSA-N 447.486 1.834 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301505898 CCPRUKNLOIORBG-SFHVURJKSA-N 437.548 1.309 30 10 IDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301717976 XZHGKRURFSMXIV-OALUTQOASA-N 440.504 1.899 30 10 IDEE CS(=O)(=O)c1ccc(CCn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302426673 BDNUMVCDPDDAOQ-SFHVURJKSA-N 438.513 1.715 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCCO)c1 1302429098 DVFGSBBURNKQEF-QGZVFWFLSA-N 433.534 1.630 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)C1 1302438312 FJDQOPRYOMLCIH-GOSISDBHSA-N 446.602 1.489 30 10 IDEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302813336 GMUNWAYXXGUZNK-MRXNPFEDSA-N 426.550 1.576 30 10 IDEE CC(C)(C)n1cc(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(O)nc1=O 1313275340 JVMHOOCVXXURBF-MRXNPFEDSA-N 425.493 1.757 30 10 IDEE CCO[C@@]1(c2nnc(N(C)CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1314095996 UZQRYBGPTLQPRS-APOCOGJHSA-N 430.509 1.303 30 10 IDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358898399 RLYVVSLURUXCON-HOTGVXAUSA-N 435.525 1.736 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1358904078 TWSLWGOPUCXSRW-UHFFFAOYSA-N 438.532 1.888 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1358913684 VPXZCBMOHGAHGQ-SFHVURJKSA-N 428.562 1.705 30 10 IDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1358929994 LYIRAMVDEFJOAT-SFHVURJKSA-N 441.557 1.755 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCCC1=O 1358968683 VCJLDOFJCOPRSX-UHFFFAOYSA-N 433.516 1.791 30 10 IDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359014176 ZMVCWIFVERKJNZ-QGZVFWFLSA-N 435.525 1.880 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1359024880 XUFCUPHMIFPMCT-MRXNPFEDSA-N 438.500 1.787 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1359039831 XVWSAROACDFNMC-UHFFFAOYSA-N 444.624 1.993 30 10 IDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1359053674 VDGCMXBAYNIWOX-UHFFFAOYSA-N 426.590 1.878 30 10 IDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359058854 RMHHEWPYROYZAH-QZTJIDSGSA-N 444.557 1.604 30 10 IDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1359304616 CTGFWLVDKZSOQO-UHFFFAOYSA-N 444.511 1.785 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2cc[nH]n2)C1 1359323276 KYOZXHHBOGYBOX-GOSISDBHSA-N 439.495 1.942 30 10 IDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(C)(C)C)n3ncnc3n2)c1 1434893865 IPNGRFPQSMMUFR-UHFFFAOYSA-N 446.511 1.909 30 10 IDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 1454114026 GTRJBSWWMIIDGH-JOCHJYFZSA-N 429.528 1.872 30 10 IDEE CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 1454232420 HLOMTLPWKRVJNV-UHFFFAOYSA-N 428.514 1.726 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](NC(=O)c3ccccc3)C2)cc1 1465388437 LBZXSHISIHEVFN-SFHVURJKSA-N 426.498 1.258 30 10 IDEE CC(C)OC(=O)C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1471930326 CDFGBTFCCDNELX-SFHVURJKSA-N 426.473 1.953 30 10 IDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 1473871892 AHLZLSGFODKWRP-HNNXBMFYSA-N 427.534 1.310 30 10 IDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1477215549 SCTUCYHBZNYSKJ-UHFFFAOYSA-N 430.533 1.666 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@H]3CC[C@H]2C3)n1CCN/C(O)=C1/N=CC=CC1=O 1496788533 OOSVODXKHBPBPD-AXPPELJESA-N 441.536 1.712 30 10 IDEE CN(CC(=O)NC(C)(C)C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1503439184 MNLQOPPZFAVYFB-MSUUIHNZSA-N 431.541 1.453 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCOCCCO)cc1 1505315905 CUSFWWIWEJSIKU-UHFFFAOYSA-N 440.548 1.517 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1507629514 NCWJBPMHVSMACZ-MSOLQXFVSA-N 430.578 1.697 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1507631589 QWEDZLCVWJRDNM-SFHVURJKSA-N 429.546 1.702 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1507719035 KJHVOBBPEXMKOR-NFBKMPQASA-N 430.597 1.416 30 10 IDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1507780158 WWKPLQSMKNURIB-CYBMUJFWSA-N 444.330 1.990 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1507792052 WDKRLDZAYKXBFJ-HKUYNNGSSA-N 432.569 1.846 30 10 IDEE C=C(C)COCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1507849289 VZFDATXJGUKWPF-JOCHJYFZSA-N 443.552 1.640 30 10 IDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507942107 MBHRJODWAKAKJC-INIZCTEOSA-N 438.575 1.938 30 10 IDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1507964425 FRRPYTAXYVYDKX-XLIONFOSSA-N 441.598 1.830 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1508021850 UOIHJDLBMLTADF-IBGZPJMESA-N 447.561 1.846 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1508080016 HHTOMZWGHXTVJB-INIZCTEOSA-N 427.509 1.746 30 10 IDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1508160868 IWOCDGBLSJWGOE-INIZCTEOSA-N 431.566 1.826 30 10 IDEE CC(C)Cc1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509173810 ZRPRHLJKJLGEMD-BZROSYFNSA-N 441.536 1.204 30 10 IDEE C[C@H]1CN(C)C(=O)CN1c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1512362981 RYGQCNOKXRNPIQ-DPHDRGAJSA-N 427.509 1.129 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1516173274 UEVUTXZTQLYIDQ-AOMKIAJQSA-N 430.553 1.975 30 10 IDEE CN(C)C(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516978200 MLMABKCYNDIUFL-HNNXBMFYSA-N 429.475 1.412 30 10 IDEE CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1517582717 GRLJZWNXOSMYJZ-KRWDZBQOSA-N 425.493 1.002 30 10 IDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(=O)NC1CC1 1518517320 BRKGPNURHSHPIX-KRWDZBQOSA-N 440.504 1.653 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1519330388 RNRCXAQYMCHWGG-MAUKXSAKSA-N 438.492 1.564 30 10 IDEE N#CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1521143196 GQSVXXRPJYXEQI-NRFANRHFSA-N 440.529 1.496 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 1539072740 VNEHGYUYGXVQRF-ZWKOTPCHSA-N 439.582 1.276 30 10 IDEE C#CCN(c1nnc(CC)n1CC(F)(F)C1(OC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539218559 AJVSOGCMJAIYCH-HNNXBMFYSA-N 446.520 1.298 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1539219901 OHXGGASHHQTZES-HTAPYJJXSA-N 447.605 1.504 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1539318072 LROIEHFVWZDPDM-KRWDZBQOSA-N 436.482 1.966 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1539459611 LTALJEQIVKKIBA-DENIHFKCSA-N 428.581 1.607 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCC=C)CC1 1539459622 MBIWZSBXCGFWQG-UHFFFAOYSA-N 434.544 1.769 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1539469740 FXBAPHTWOXVYEY-UHFFFAOYSA-N 443.515 1.464 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2Cc2cnnn2C)CC1 1539487977 CVEROXQIIQZEBS-UHFFFAOYSA-N 446.559 1.596 30 10 IDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1539592301 BNCIPRGYICTJDZ-UHFFFAOYSA-N 435.330 1.581 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1540596097 ZRBRTPFEPDQQKI-HNNXBMFYSA-N 430.571 1.942 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1540870659 STALPOUELBJLRI-CVEARBPZSA-N 445.524 1.559 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1540871905 WZTIGXUZRBGWMA-HNNXBMFYSA-N 433.582 1.088 30 10 IDEE C=CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCNC(=O)C2)cc1 1540876866 DLKWCYKENHUNGO-UHFFFAOYSA-N 426.521 1.746 30 10 IDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1541116703 UAELMAUFSNLIQY-IKGGRYGDSA-N 425.555 1.362 30 10 IDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCC[C@H]1C 1554478253 BYJDEGNHVJNZEF-ZHRRBRCNSA-N 426.521 1.852 30 10 IDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CSc2nnnn2CC(F)(F)F)C1 1557239969 HUWYVDGYWRFNDQ-CQSZACIVSA-N 425.440 1.936 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 1562465683 NMYCTAJWNJZMDH-OAHLLOKOSA-N 436.534 1.929 30 10 IDEE Cn1nnc(Br)c1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1583847634 BTJGXPKRNVJANJ-UHFFFAOYSA-N 441.293 1.802 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)s1 1585670480 BNRXGSIZWYQHGH-OAHLLOKOSA-N 426.608 1.040 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C1CCC1 1587621817 ZXDLKFMIKVTNRZ-INIZCTEOSA-N 447.543 1.956 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2(O)CCC2)c1 1587697826 YRCBJLZUNVKSCC-UHFFFAOYSA-N 436.516 1.372 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588065127 UZFXLXMSEZEJRF-GOSISDBHSA-N 449.621 1.800 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1588233817 RMMXEHXTOSAUFM-OAHLLOKOSA-N 447.483 1.416 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1588620552 XARZJPOKRALEGR-QGZVFWFLSA-N 432.546 1.865 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588780454 QREMPMULSHWNHW-GAJHUEQPSA-N 441.532 1.257 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588835604 CNCPPNRFDJETAA-GOSISDBHSA-N 447.992 1.712 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CCOC)CC1 1588837009 PJPPWMMGYQTNEZ-NFBKMPQASA-N 441.532 1.333 30 10 IDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1593690766 OSEJHMMJIZACOB-UHFFFAOYSA-N 428.541 1.434 30 10 IDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594608360 KJAOJDTUVFEVRV-QGZVFWFLSA-N 426.525 1.802 30 10 IDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1594625274 GBUWRHXJKGQNHI-ROUUACIJSA-N 425.599 1.693 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595602779 QYKHRXMGPPLWTN-BFYDXBDKSA-N 439.582 1.122 30 10 IDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1595895984 RRFBAVDDUXCCTO-SFHVURJKSA-N 434.610 1.478 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1611307960 JMZQWWFJGQUAJY-VHSXEESVSA-N 426.287 1.906 30 10 IDEE Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1612418239 CQGNOSWRCAYNRN-ZBEGNZNMSA-N 427.531 1.338 30 10 IDEE Cc1nccnc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1612454922 BRGSOTNYLLYRDU-OXJNMPFZSA-N 429.550 1.651 30 10 IDEE CCOC(=O)c1[nH]c(C)c(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1C 1613804085 DOZXLDKQUOQYQH-UHFFFAOYSA-N 426.473 1.557 30 10 IDEE CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1615092406 BTQLDXIRAOCYQJ-GOSISDBHSA-N 438.492 1.508 30 10 IDEE O=C(Nc1nccs1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@H]12 1616174541 AAMPCCBFFSRZFO-BUVBEKAXSA-N 434.499 1.313 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1620095165 RGGVSLDUGHFOLV-HOJAQTOUSA-N 432.569 1.710 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 1623064907 DEPRDRPFDWHYJP-UHFFFAOYSA-N 439.497 1.968 30 10 IDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1626708454 MYEMYARJGGYCMP-QGZVFWFLSA-N 431.493 1.495 30 10 IDEE C=CC[C@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OCC 1638326616 SNJCAXAVUMDHKC-IBGZPJMESA-N 448.545 1.693 30 10 IDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1642454151 FPFAIMYXTPACMR-DLBZAZTESA-N 444.598 1.364 30 10 IDEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1653037340 YGTLIMLJIFWBLJ-NRFANRHFSA-N 449.463 1.650 30 10 IDEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1675700646 FAGNGXSUDHEEKN-HNNXBMFYSA-N 428.518 1.454 30 10 IDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCC4(C#N)CCCC4)CC3)C2=O)n(C)n1 1682422748 VHLSEEONABNJRC-SFHVURJKSA-N 427.553 1.635 30 10 IDEE C=CC[C@@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1682859570 TYAVSEWNXHBFDL-KRWDZBQOSA-N 426.558 1.861 30 10 IDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)C(=O)C1 1689882648 HGZUTTXAWMAARC-UHFFFAOYSA-N 439.516 1.815 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCO[C@H]1CCOC1 1689960096 YUMODHVNRIWPQX-INIZCTEOSA-N 432.550 1.503 30 10 IDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1690059697 VXPCMXGSYPSKQU-KRWDZBQOSA-N 430.578 1.406 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H](C)N1CCCCC1 1690526713 CEYNEHAKOGFFLZ-ZWKOTPCHSA-N 440.614 1.498 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)C1 1690700790 XXBWGUAHBJCXTA-IRXDYDNUSA-N 425.599 1.549 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)CC(N)=O 1690720332 FZXCUGFQOYLACT-HNNXBMFYSA-N 442.545 1.794 30 10 IDEE CC(C)(C)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1691202521 VDOWRRMOXPNDDM-ZZEZOPTASA-N 427.553 1.993 30 10 IDEE CC(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692136458 BTJXZDNAUBGKAF-FMQUCBEESA-N 429.525 1.095 30 10 IDEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696830472 PDMGKNGOEPFTMV-UHHPSXQGSA-N 432.525 1.560 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1697926851 UDKCUQSNAJRAKH-VXKWHMMOSA-N 427.505 1.600 30 10 IDEE CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1698309845 VRXXTNOYOVFFNY-IBGZPJMESA-N 445.545 1.666 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Br)cn1 1705496004 YEYQYLNRYCFTBS-QWHCGFSZSA-N 441.355 1.297 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1705550260 WEEXHUDJEGBUGJ-SSEXGKCCSA-N 426.546 1.903 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705567390 XPNBIKXBSXVBNV-QGZVFWFLSA-N 438.513 1.047 30 10 IDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(N)=O)c2)CC1 1705783924 ACWGVUWCRSIKAI-UHFFFAOYSA-N 438.532 1.715 30 10 IDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705810627 CLZQORNJUDTCQD-UHFFFAOYSA-N 447.584 1.336 30 10 IDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccsc1 1705897092 FZBBKNOCYAWBMT-HIFRSBDPSA-N 438.579 1.594 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705905005 GBIOLGVDSVMNFY-UHFFFAOYSA-N 425.537 1.261 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1706077611 KVSLQSDXYZLRNW-HNNXBMFYSA-N 429.550 1.885 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1706749930 GVOHRCDHFVVDEP-MRXNPFEDSA-N 429.550 1.959 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)c1 1711703123 HUBPAYHKTPLFIV-GHTZIAJQSA-N 429.477 1.497 30 10 IDEE COCC1(C)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712188914 YBGXQGVMILSPOY-MXLIYFDZSA-N 444.536 1.561 30 10 IDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1712502880 YNQFVSSYINZGFS-QGZVFWFLSA-N 439.564 1.746 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1712521626 KTNYUIVCAKPQRG-RDJZCZTQSA-N 440.570 1.024 30 10 IDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)(F)F 1722343376 KFWSLRATYXTROH-UHFFFAOYSA-N 433.232 1.794 30 10 IDEE C#CCN(c1nnc(-c2cnccn2)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1722360053 CLVFNSKXUHGNRY-SFHVURJKSA-N 440.504 1.744 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1722361120 LDLMPRZNJVLOQY-QGZVFWFLSA-N 432.594 1.498 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1722362051 RGUILCTUXRHQAX-MRXNPFEDSA-N 427.534 1.001 30 10 IDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722365018 BRSIZQMPWZBUSQ-IBGZPJMESA-N 441.557 1.521 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1722423703 MJOMSEXQWRGXFM-UHFFFAOYSA-N 446.529 1.380 30 10 IDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncccc1C 1722517882 OTBOOODFXHNLMK-SFHVURJKSA-N 434.566 1.765 30 10 IDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722549343 KUUNIGKRWYOEJQ-AWEZNQCLSA-N 426.930 1.518 30 10 IDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)CC)CC1 1722563726 XFLZQPJZTUKHDO-UHFFFAOYSA-N 431.566 1.873 30 10 IDEE C=CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)C1 1722730777 CIZVXYRQFOFCFN-UHFFFAOYSA-N 426.521 1.746 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1722751829 WLZVZEKDGYZDCW-IBGZPJMESA-N 437.953 1.901 30 10 IDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2COCCO2)C1 1724001775 AYPMTNZFIHEDDY-UWJYYQICSA-N 445.545 1.894 30 10 IDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1728697849 KVTBRTPLETZVKD-IBGZPJMESA-N 440.504 1.901 30 10 IDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1729544717 HFVDLAFGWBPCKH-QHCPKHFHSA-N 440.548 1.658 30 10 IDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CC1(C)C 1730383006 BCVDBVCQRWQYBP-GOSISDBHSA-N 447.561 1.739 30 10 IDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740596111 TWZGVJBJUFNGBC-UHFFFAOYSA-N 449.559 1.789 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740676455 DAKNQNXMFMOWNW-ROUUACIJSA-N 432.521 1.996 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)CC1 1740694632 PAAHKVRJQJPODW-FQEVSTJZSA-N 439.539 1.256 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740955589 ZAPGXYXQWHGEKW-AOMKIAJQSA-N 427.505 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1740989411 MFQMIERUOJHDDY-MRXNPFEDSA-N 445.549 1.960 30 10 IDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740990763 FJUGKZGYQPKIRI-MJGOQNOKSA-N 437.610 1.693 30 10 IDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1740994135 MWYXYORJAFLZFT-KRWDZBQOSA-N 445.545 1.945 30 10 IDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1743349856 ZAKXBQHNFIVDJG-CRAIPNDOSA-N 429.550 1.039 30 10 IDEE CN(C[C@H]1CCOC1)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1747865371 VLVAWCREASNVAF-ZBBYCGENSA-N 442.545 1.930 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1748824919 TYLSJQWUNKYBNW-DLBZAZTESA-N 431.518 1.208 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748859643 XKVJTZWYTXBGIT-IAGOWNOFSA-N 425.455 1.856 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(C)CN(C)C1=O 1748959549 WMEFLYNAEAXYPL-HSZRJFAPSA-N 433.516 1.695 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nccc(C(F)F)n2)CC1 1748979391 ZNLMBDFJFRPAPR-HNNXBMFYSA-N 435.479 1.533 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)C(C)C)CC1 1749015204 AONSCZLTJWXOKW-HXUWFJFHSA-N 441.580 1.777 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749049684 OJMJDNCPGZDJDR-QGZVFWFLSA-N 441.561 1.317 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749247194 MIPDXQQGVQVZJH-CQSZACIVSA-N 435.916 1.033 30 10 IDEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1749270697 GDPQVBIEAWXKIC-UHFFFAOYSA-N 431.896 1.981 30 10 IDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749452213 RWLDYNKDQXNRHG-LJQANCHMSA-N 446.577 1.937 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749456934 NKZVCGZAETYFBQ-HXUWFJFHSA-N 446.596 1.509 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)C)C1CC1 1749519310 IWHHHNBZMHGZIR-SJORKVTESA-N 427.571 1.437 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1 1749663843 AHPFZQCMHNVMSO-QGZVFWFLSA-N 428.512 1.545 30 10 IDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1750197270 CLOYNRQYLKOEES-LJQANCHMSA-N 444.561 1.448 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1760138165 SMJMMOZISHYDMV-IAGOWNOFSA-N 425.555 1.030 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1760182845 JSTQHRLNUVAOKL-SFHVURJKSA-N 447.517 1.643 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1760217733 LBWDRLNEFAGKIM-HXUWFJFHSA-N 441.557 1.939 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1760262915 GTEQBYIFPLQHPE-NRFANRHFSA-N 437.592 1.520 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760272683 RWEHQGCZVQWSDE-QFIPXVFZSA-N 448.637 1.864 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1760294342 UMBVPMBSXKRUAV-WMZHIEFXSA-N 427.597 1.639 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760326476 WNLHWMVAPGKQQP-MDZRGWNJSA-N 439.582 1.251 30 10 IDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1768444734 FEJFXZIPLKXOLM-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCC2)C[C@H]1O 1769452136 NLXHQJYNSDWUOE-RTBURBONSA-N 438.532 1.661 30 10 IDEE COCCCN(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1771040304 SAHGATJDJYVVCU-SFHVURJKSA-N 429.481 1.550 30 10 IDEE C=CCN(C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)cc1)[C@H]1CCN(C)C1=O 1850771509 BZAYDHIYKJUOAW-QFIPXVFZSA-N 426.561 1.847 30 10 IDEE C=CCN(C(=O)c1cc2n(n1)CCN(Cc1ccc(OC)cc1)C2=O)[C@H]1CCN(C)C1=O 1852523394 NTHYJOLZMYACHD-IBGZPJMESA-N 437.500 1.407 30 10 IDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CCN(S(C)(=O)=O)[C@H](C)C3)C2=O)cc1C#N 1853953782 IJVSQFPHNGUZGR-VQIMIIECSA-N 432.546 1.354 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2OCCc3ccccc32)C(=O)C1 1853955284 TVVKDPOTTHSOBH-HXUWFJFHSA-N 425.466 1.232 30 10 IDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O 1854590857 QVSSMKGHQCGOMJ-IRXDYDNUSA-N 437.587 1.950 30 10 IDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)Cc3ccccc3[N+](=O)[O-])cc2C1=O 1870154929 NYOXVJKOTYJVIS-UHFFFAOYSA-N 431.368 1.454 30 10 IDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871536463 SVLPJGATTITUAH-UHFFFAOYSA-N 439.520 1.110 30 10 IDEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N(CCOC)CCOC)ncnc21 1873596369 TYHQEFKZBQYFPS-UHFFFAOYSA-N 433.553 1.999 30 10 IDEE CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010401373 DPYYXZAHISWUMS-CYBMUJFWSA-N 438.359 1.971 30 10 IDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)OC1(C)C 2243387005 LNMNSLOZUKRMAK-INIZCTEOSA-N 440.309 1.850 30 10 IDEE C[C@@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2255876924 RUFKAKJJVCBJBC-KGLIPLIRSA-N 432.330 1.904 30 10 IDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256056436 DFMJCSGDOKGAOC-UHFFFAOYSA-N 432.330 1.977 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2266994463 UUOUWWLLDQXIJT-HNNXBMFYSA-N 447.341 1.747 30 10 IDEE C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2267118798 NYIHLHNGOSPZFB-KRWDZBQOSA-N 439.369 1.851 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2267275391 NMBDNBPIYYOQRD-JOCHJYFZSA-N 447.341 1.483 30 10 IDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(Cc2ccccc2)C1 2267537146 OSJHILKZKQNWKH-WMZOPIPTSA-N 439.369 1.755 30 10 IDEE CC(C)(C)OC(=O)N1CCN[C@@H](CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 2303485865 XSRCLGCDHNUANA-VQTJNVASSA-N 427.549 1.822 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2315531727 FLJIXMOERHFTQO-ZIAGYGMSSA-N 434.346 1.895 30 10 IDEE COc1ccc(C=NNC(=S)NCCN2CCOCC2)c(Br)c1OC 2323045717 GZVVYJHPDIREHP-UHFFFAOYSA-N 431.356 1.597 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C 2334265286 AOFMSYMBISDZLB-MJBXVCDLSA-N 447.345 1.100 30 10 IDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2367814723 BWRGNDMAEVEYGQ-SIKLNZKXSA-N 434.558 1.709 30 10 IDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)Nc2nncs2)n[nH]1 59888009 QCHUJNOUKVKCKQ-FRKPEAEDSA-N 436.527 1.029 30 10 IDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccn1 102742255 FOHOJFNURZHUIY-LCPUNJGISA-N 439.516 1.576 30 10 IDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)CCO1 409499045 GFKLLJQHOSRIGL-UXHICEINSA-N 428.514 1.503 30 10 IDEE COc1ccc(-n2cc(CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)nn2)cc1 482842603 JNBZYUQYCOUHEW-AWEZNQCLSA-N 440.485 1.131 30 10 IDEE CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 489088047 LHYOKCGMRQCMDN-UHFFFAOYSA-N 444.513 1.787 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 505398623 YLWVSXGNJGHLLT-GOSISDBHSA-N 436.354 1.925 30 10 IDEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2c1 505890771 FHJFHRQAYSYFFO-UHFFFAOYSA-N 426.458 1.621 30 10 IDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCN1CCOCC1 523306131 NCZPYQHLCABVLM-UHFFFAOYSA-N 441.528 1.253 30 10 IDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)cc1 546803710 JFHXVFFLGAXLLZ-UHFFFAOYSA-N 448.527 1.887 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 559649154 KEBPTVJTJDPDBB-YWZLYKJASA-N 436.915 1.445 30 10 IDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(COc2ccccc2)c1 560310181 GZEXAFDEBHOIMS-UHFFFAOYSA-N 446.511 2.150 30 10 IDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 576420614 YKHSXMSBMJTLEB-MAUKXSAKSA-N 438.525 1.968 30 10 IDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccon2)c1=O 576972188 JAMARZMWTGEAGJ-UHFFFAOYSA-N 439.468 1.966 30 10 IDEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 585673659 NSRPCVABRHIPGG-DNYLWBTQSA-N 431.452 1.900 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)nc3)CC2)cc1OCC 609641413 QIVPXEJOJSDOSX-UHFFFAOYSA-N 444.513 1.897 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c(OC)c1 614904367 KGRWUJMBCSBXCC-KRWDZBQOSA-N 442.537 1.834 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)cc2C1=O 620448427 VEUFQJNBLJPBKI-AWEZNQCLSA-N 428.470 1.585 30 10 IDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730140805 YAFQNYPLWVCRKZ-INIZCTEOSA-N 441.504 1.100 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732696363 FZTIZRLNRIMSIA-GPMSIDNRSA-N 447.561 1.689 30 10 IDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cn1 732795527 LHSVZWWJUTXOHK-KRWDZBQOSA-N 426.542 1.738 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C[C@@H](C)C(C)C)C1=O 739399973 CJEIWGDPFXCJLN-PPLXDANASA-N 440.591 1.562 30 10 IDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCNC(=O)N2CCc3ccccc3C2)cc1 744007667 PEMPWOSNUUFGGK-UHFFFAOYSA-N 426.498 1.662 30 10 IDEE C#CCN(C(=O)c1ccc2ncc(I)n2c1)[C@H]1CCS(=O)(=O)C1 749355962 RWNYEEDTULJKJG-LBPRGKRZSA-N 443.266 1.201 30 10 IDEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 752332296 NLEGBFOITCXOAZ-UHFFFAOYSA-N 430.267 1.250 30 10 IDEE CCc1c(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 754342156 HATQGJKYPMILDR-CYBMUJFWSA-N 441.488 1.083 30 10 IDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)CC(=O)O 757379771 JRWMTUFRQIFXNG-VFNWGFHPSA-N 436.464 1.869 30 10 IDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C 758583684 BRKRDQFFXXQPQK-UHFFFAOYSA-N 446.532 1.837 30 10 IDEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F 764750147 MDRDLDXBJLHQFA-QMMMGPOBSA-N 428.276 1.828 30 10 IDEE CC(=O)N1CCC[C@H](COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 766476729 ZWXWKQINANMJEG-SFHVURJKSA-N 433.530 1.761 30 10 IDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1 782855546 CUDOPTGZHLUIGK-LBPRGKRZSA-N 441.439 1.453 30 10 IDEE COC(=O)C1=C(C(=O)c2cccnc2)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783807455 LTDJDFBEMWYJQR-NSHDSACASA-N 436.291 1.406 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)OCC(F)(F)F 788880480 AKYAFRJVFJUVQY-LBPRGKRZSA-N 436.408 1.789 30 10 IDEE CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)CCN/C(O)=C2\N=CC=CC2=O)cn1 791131593 CKBBOAOXAPAKKU-QAHCAUCSSA-N 437.500 1.882 30 10 IDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)Cn3ncc4ccccc43)CC2)o1 792852895 NOGLGLUBLBDYKP-HNNXBMFYSA-N 436.472 1.733 30 10 IDEE CC(=NNS(=O)(=O)c1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 797397322 CMADGOOETFBTEY-UHFFFAOYSA-N 432.321 1.799 30 10 IDEE O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 803430550 FVZZTTKGIBJXHZ-GFCCVEGCSA-N 446.451 1.032 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCCc2cnn(C)n2)C1=O 814703595 FLTVCLBWQSBINO-SFHVURJKSA-N 443.577 1.447 30 10 IDEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC[C@@H](C)F)C1=O 814708139 CVOZUJKQJCTWRL-AKOSPWIGSA-N 430.527 1.018 30 10 IDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cnn(C)c1I 815951181 VGESDLLQXGASKY-UHFFFAOYSA-N 430.227 1.324 30 10 IDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)C2)nc1 1129458604 WKKOCEXVXLMWPD-CQSZACIVSA-N 443.366 1.980 30 10 IDEE CN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccc(C#N)nc1 1130447940 DLWWKNJGOSWEMN-UHFFFAOYSA-N 426.502 1.686 30 10 IDEE COc1cc([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1OCCO 1150728342 YCNVEXWMYXTNCW-CYBMUJFWSA-N 436.461 1.994 30 10 IDEE CN(OCC(F)(F)F)C(=O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1167364369 BIGVZMHWVLMQSM-XYEKJYRLSA-N 448.442 1.842 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21)c1cc[nH]n1 1171608308 HNKJDKYUAYBCFD-IAOVAPTHSA-N 447.289 1.911 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1195261549 SSBIWKPHGOBQGP-NHCUHLMSSA-N 449.573 1.382 30 10 IDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 1230489798 WQBFSDGZIODPIM-LJQANCHMSA-N 441.509 1.848 30 10 IDEE Cc1cccc(CN2CCO[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)c1 1235044997 IEVLSFOSKDJNHR-TZIWHRDSSA-N 449.559 1.778 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1286314268 MPPWSJXOYZQXOR-ZLPCBKJTSA-N 438.598 1.575 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC2(C1)OCCO2 1286414653 BSRNPABQKJHBOJ-QGZVFWFLSA-N 439.541 1.886 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1286438561 YRFDKYUDKPQZOT-OAHLLOKOSA-N 448.545 1.865 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[S@@](=O)CC 1286445682 AJKWCAGQHGXWMZ-DFYVNMARSA-N 439.582 1.815 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CC1 1286468760 IUMUTOAHSJANET-UHFFFAOYSA-N 427.553 1.091 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)O)CC1 1286491877 AZDCMJZCOGHKCE-IBGZPJMESA-N 439.516 1.527 30 10 IDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286690536 RXRMBBAUHFQLNX-ZWKOTPCHSA-N 432.569 1.848 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC 1286742660 RUKOVNOEBPRXRL-LJQANCHMSA-N 444.561 1.786 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN(c3nccn4cnnc34)[C@H](C)C2)nnc1C(C)(C)C 1286793406 DKWYYGIISAGQHF-OAHLLOKOSA-N 438.540 1.031 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCCC2)C1 1286811585 FSUFUXDMXFBNFU-LJQANCHMSA-N 444.580 1.975 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286821875 CUWSAFPXOBLPGE-UHFFFAOYSA-N 449.602 1.855 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCS[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286825522 RSJHNHIOKLWNMY-VQIMIIECSA-N 444.623 1.861 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286831437 FNRJAKSQGZXCNZ-MWDXBVQZSA-N 426.608 1.818 30 10 IDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)[C@@H](C)C1 1286876248 JOPQEZYKNDZFKH-HNAYVOBHSA-N 435.532 1.788 30 10 IDEE CC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286918966 VXYILJSGIPMUTE-LSDHQDQOSA-N 449.515 1.576 30 10 IDEE C[C@H](C(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 1287499673 VAFWEIMCTILQJG-WBVHZDCISA-N 432.525 1.975 30 10 IDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCCO 1288155960 YKRWNRCMQFEXEW-UHFFFAOYSA-N 426.525 1.172 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1288528786 BTVOMEANYPSTPX-UONOGXRCSA-N 436.563 1.443 30 10 IDEE N#CC1(CC(=O)NC[C@@H](O)COc2ccc(I)cc2)CCOCC1 1294794688 NKJNYCXEUVDIFA-CQSZACIVSA-N 444.269 1.858 30 10 IDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)c(OC)n1 1300195722 FHQBDHQLQPVXKJ-HSZRJFAPSA-N 447.499 1.979 30 10 IDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1300370780 CRUMGOFOTKCXAL-NRFANRHFSA-N 441.624 1.809 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1300556845 NELRKADSCCJYCD-GJZGRUSLSA-N 427.621 1.200 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@@H]1OC 1300650543 UAWHEINXOAQPBS-SJORKVTESA-N 428.493 1.063 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(N(C)C)CCC2)CC1 1300685074 FRLGSWHISFITNI-HSZRJFAPSA-N 430.597 1.558 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccccc2F)CC1 1300703821 TXDNJPHNNHMWEM-UHFFFAOYSA-N 447.518 1.588 30 10 IDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300733062 HOWWGDOGZGZMLA-INIZCTEOSA-N 427.578 1.979 30 10 IDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1300769903 LLPFQYGKVNDUEW-SFHVURJKSA-N 440.529 1.046 30 10 IDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301259937 TZZIZUZVXOBNBU-RBUKOAKNSA-N 427.553 1.980 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)Oc1ccccc1 1301297670 SLILPIJLERNEFJ-SJLPKXTDSA-N 435.550 1.701 30 10 IDEE C=CCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCS(=O)(=O)CC2)C1 1301434305 IPQMVXMBUOCIMR-OAHLLOKOSA-N 425.555 1.681 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(=O)N(C)C)c2)C1 1301536734 ZIBPLMYJHAEEAJ-IBGZPJMESA-N 440.548 1.948 30 10 IDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)NCC2(C#N)CCOCC2)C1=O 1305275145 NOKGOPRPJXVFJV-GOSISDBHSA-N 449.305 1.653 30 10 IDEE N#C[C@]12CN(CC(=O)Nc3ccccc3I)C[C@H]1CS(=O)(=O)C2 1308128589 SFAYXZWOSBOMBN-XHDPSFHLSA-N 445.282 1.100 30 10 IDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1320056667 FOEODVSRMPIRLU-QGZVFWFLSA-N 436.530 1.662 30 10 IDEE CO[C@H](C)c1noc(CN2CCCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)n1 1322348081 ADVOEPMLNQWMCZ-GFCCVEGCSA-N 432.506 1.819 30 10 IDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 1348684743 GIMJOJUHVTYPHA-SFHVURJKSA-N 448.589 1.590 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N(C)C 1358876085 BWMDKTOFTHKBIB-OAHLLOKOSA-N 432.550 1.132 30 10 IDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCS(C)(=O)=O 1358911878 FEAXZWGDQVRPOX-UHFFFAOYSA-N 445.593 1.736 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359035587 YEBIJLGBRKENDJ-QHAWAJNXSA-N 430.597 1.427 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CC1 1359035810 FAQLVOWRGCQDGX-INIZCTEOSA-N 434.953 1.032 30 10 IDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359132314 UGFXRODVOSYTPA-MRXNPFEDSA-N 432.525 1.633 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)C(C)C)C1 1359319366 XWZXKPXRIIQWGC-HNNXBMFYSA-N 430.509 1.559 30 10 IDEE CCS(=O)(=O)C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1448738874 RIGAGZDAWULPES-QGZVFWFLSA-N 432.502 1.189 30 10 IDEE CN(C)S(=O)(=O)NCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1449118397 KOVLAKNPIYECIU-UHFFFAOYSA-N 427.958 1.330 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC4(CCC4)S(=O)(=O)CC3)C2=O)cc1 1451539059 WJWTUDLUPOEWEY-QGZVFWFLSA-N 444.513 1.333 30 10 IDEE C#CCCOc1ccc(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1 1464843293 GVIHORVZXAJLDU-UHFFFAOYSA-N 426.561 1.399 30 10 IDEE C#CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1470983645 UQJIEXUDCKEATK-GJZGRUSLSA-N 438.525 1.097 30 10 IDEE C=CCCC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(=O)OC 1471894853 GTQCZUWEGRFHFT-HNNXBMFYSA-N 444.575 1.769 30 10 IDEE C=CCOC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1472553093 WIKMZQAFDTXSOI-BXUZGUMPSA-N 438.424 1.233 30 10 IDEE C#CCNS(=O)(=O)N1CCN(Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 1474681434 GSQHJPBHKNAGLM-UHFFFAOYSA-N 427.452 1.476 30 10 IDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CC(C)(C)O1 1494251867 DBPUTUFWUHTMKF-HNNXBMFYSA-N 434.504 1.974 30 10 IDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1COCCO1 1504884972 GTICZJSPFRDUFY-QGZVFWFLSA-N 429.477 1.498 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1505003056 YAAAPLCOBVELBN-HZPDHXFCSA-N 438.529 1.598 30 10 IDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCOC[C@@H]1C 1507622949 PCTNQAUDFIBIPV-OKZBNKHCSA-N 432.569 1.839 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507630962 AHXYVVGPNAJFPH-OALUTQOASA-N 435.594 1.285 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOCC1 1507643911 VZHBCPSEPLHZFN-UHFFFAOYSA-N 445.365 1.841 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1507741260 OIBAOCQEUFLKDV-UHFFFAOYSA-N 446.621 1.429 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508071997 AKHRMEXUHWUTBL-HXUWFJFHSA-N 432.887 1.756 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)(C)C)CC1 1508091320 MUXHZYDFTLAUTM-HNNXBMFYSA-N 439.582 1.266 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(N)=O)cc2)C1 1508124854 CIDRSICSIVYGDB-ZCNNSNEGSA-N 441.532 1.931 30 10 IDEE CCCCNC(=O)[C@@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1514502934 PTHOLKJLGRZRPW-IGGDJGDASA-N 429.525 1.246 30 10 IDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1519205303 CGFXVBMRJTXBRM-VGSWGCGISA-N 426.521 1.125 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)c1 1519510237 QNFNKGLDUULTCD-UZLBHIALSA-N 449.508 1.596 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C#N)C1CCCC1 1533581677 KGOREQLOTWQVFM-LJQANCHMSA-N 434.562 1.834 30 10 IDEE CON(C)S(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1Cl 1537679402 MCOPYBRTBYDBRU-UHFFFAOYSA-N 425.854 1.373 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1538977059 SKAGTLLSRBRBCL-CQSZACIVSA-N 431.566 1.483 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1539346740 HPRQROJBTMTTSY-UHFFFAOYSA-N 435.326 1.777 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1539368679 AXKUZUWXKYTGOI-QGZVFWFLSA-N 437.953 1.772 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)C1 1539647445 XFBXYEGAJMWDGI-KSSFIOAISA-N 430.534 1.187 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539798452 HSIIGVWXVBEWCG-WMZOPIPTSA-N 443.939 1.330 30 10 IDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539991085 DRXKBBPROFBKGB-GOSISDBHSA-N 446.577 1.937 30 10 IDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc2c(n1)CCCC2 1540071750 HMPZOCLXEFEYTM-LJQANCHMSA-N 446.577 1.555 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1540199128 WFPGRBOEJGIKKI-SFHVURJKSA-N 425.537 1.912 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCOCC1 1540201382 SHKSEKTUBHLCKY-IBGZPJMESA-N 430.505 1.971 30 10 IDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540869633 SFSHOOIEAKJQAB-INIZCTEOSA-N 449.515 1.959 30 10 IDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(C)C)C(=O)[C@@H]2C)nnc1C(C)(C)C 1540909092 XLGLTLALFQXIHG-INIZCTEOSA-N 425.599 1.870 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1540919923 IOOWOBSBCRKZGR-UHFFFAOYSA-N 446.625 1.269 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCSCCCO)CCOC1 1541725809 OYBHNLSTVMMLBT-RTBURBONSA-N 427.546 1.876 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)ccc1F 1545858211 MGZGEXKBBOIKIV-GFCCVEGCSA-N 431.486 1.865 30 10 IDEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)cn1 1548368014 HGACTKPGLRRXCT-INIZCTEOSA-N 433.390 1.797 30 10 IDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1555419272 IJWKXRDSRKYIDX-KSFYIVLOSA-N 442.520 1.881 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncc[nH]1)c1cc[nH]n1 1557310037 LEIWSGPRXWYRIW-SFHVURJKSA-N 428.424 1.804 30 10 IDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1557361712 AMGQJUXJRJJZAC-GFCCVEGCSA-N 435.329 1.518 30 10 IDEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCN(C)CC1 1564628326 QMAJLXCLVPDSPL-UHFFFAOYSA-N 430.933 1.496 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[C@H]1c1ccc(F)cc1 1564721265 QRXGQWMKMYJPKT-DLBZAZTESA-N 433.484 1.858 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1OC 1587561604 FOAFANWLKYDTGM-HUUCEWRRSA-N 435.550 1.606 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1587825575 YVIJITKKSRMPGL-MRXNPFEDSA-N 444.960 1.025 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588073807 FGBCZBMDNRNNNW-OPYAIIAOSA-N 438.594 1.944 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1588646455 KMEGKHTZNQZQNY-FQEVSTJZSA-N 445.589 1.376 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccn2)CC1 1595799104 XNDUBXHFYBPFQK-KRWDZBQOSA-N 432.550 1.104 30 10 IDEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595877970 DZTRTGCJUGSGAM-UHFFFAOYSA-N 432.594 1.782 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CCO1 1596633648 NSRMLRPKCUUVSE-FQEVSTJZSA-N 431.456 1.671 30 10 IDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C[C@@H]1C 1615759666 AKIXAWACWNXEMH-JKSUJKDBSA-N 431.566 1.285 30 10 IDEE C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1618518689 CZBBHNOATOLSQA-NAMSSYRMSA-N 432.274 1.681 30 10 IDEE COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1619648388 FMNYEMUXADNTEZ-HOTGVXAUSA-N 425.555 1.362 30 10 IDEE COCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619846967 GKGAFCWJHCCLGA-IRXDYDNUSA-N 426.525 1.585 30 10 IDEE N#Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)CC2)o1 1620351333 WDPUTXIDIZJPTO-UHFFFAOYSA-N 430.515 1.351 30 10 IDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)C[C@H]1CN(C)CCO1 1621798443 KCJGFQNEYRHEPE-NVXWUHKLSA-N 443.363 1.868 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 1624819234 GJPGGQSEIRSCFA-MSOLQXFVSA-N 428.489 1.648 30 10 IDEE C#CCOc1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1625808034 SIBIJFORWKDIPB-GOSISDBHSA-N 436.530 1.853 30 10 IDEE COCCN1C(=O)c2ccc(C(=O)NCc3cc(F)c(C#N)c(F)c3)cc2S1(=O)=O 1625871593 PZJLOZFOGYOBLU-UHFFFAOYSA-N 435.408 1.557 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3C)n[nH]2)c1C 1626214898 OHZSSMOPWPVOIM-UHFFFAOYSA-N 428.518 1.962 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 1629484244 VVIRISSFWBCWRY-UHFFFAOYSA-N 449.479 1.643 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)s1 1636237395 MEQHCNMBJBFEHW-OAHLLOKOSA-N 440.465 1.709 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)cc(CNC(=O)OC(C)(C)C)c2)C1=O 1643245976 ZFEXWOZNUWHWMO-UHFFFAOYSA-N 430.461 1.935 30 10 IDEE C#C[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 1643574972 YFYPRLNJOFQHPE-PMACEKPBSA-N 427.526 1.707 30 10 IDEE N#CC[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F 1645009658 ACFVHRIBFLMZTO-HNNXBMFYSA-N 446.451 1.260 30 10 IDEE C=CCn1c(SCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)nnc1-c1ccc(Cl)cc1 1648251126 SQMPCYPXZCEMLB-ZIAGYGMSSA-N 442.950 1.151 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1)C1CCOCC1 1648932238 VIRVICRAAZLTCO-LJQANCHMSA-N 443.525 1.727 30 10 IDEE C[C@@H]1CN(c2ccncc2)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1652167927 WXWUPJCLZNYWOY-OXQOHEQNSA-N 432.484 1.896 30 10 IDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 1653144463 BOLDXKJMMJDRHO-WBVHZDCISA-N 448.545 1.399 30 10 IDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2ccc(F)cc2C#N)CC1 1654542696 BADZFKXFHCEEBO-UHFFFAOYSA-N 431.493 1.414 30 10 IDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1660543122 VXGKJAWCNFDRBJ-QGZVFWFLSA-N 435.546 1.024 30 10 IDEE C#C[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 1667039857 KTCNWEBZHVYPJJ-HOCLYGCPSA-N 425.532 1.029 30 10 IDEE CN1CCC(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)(N2CCOCC2)CC1 1683147132 JCGOILSKJCMSOM-UHFFFAOYSA-N 441.576 1.908 30 10 IDEE C#CCOc1ccccc1CNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1684570541 VPDBEDRXKDPHRZ-UHFFFAOYSA-N 435.477 1.706 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1689985868 DFRAXDGMMYYRCW-GOSISDBHSA-N 438.557 1.970 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1690008612 MCSMVALEHWIGLO-UHFFFAOYSA-N 435.528 1.900 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1690015446 MUNIGOZXFDTOJV-QFIPXVFZSA-N 445.571 1.514 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@@H]1OC 1690104313 SMFHSVOLBXLUKB-YYWHXJBOSA-N 442.516 1.928 30 10 IDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(=O)NC)c2)CC1 1690375926 XVKHWRQXSJSHMQ-GOSISDBHSA-N 429.546 1.745 30 10 IDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690508413 ILRJLIMTMNCUPC-HXUWFJFHSA-N 446.596 1.509 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(CC)nn(C)c2OC)C1 1690694676 TWNIVXXVJZDERQ-MRXNPFEDSA-N 426.525 1.813 30 10 IDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)C1 1690699508 GDHSUNCOVRNBRE-MSOLQXFVSA-N 434.566 1.328 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690715282 HIAJEJKHYXFHIR-YJBOKZPZSA-N 430.596 1.407 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1690728928 BGSGSQBDHBADKS-UHFFFAOYSA-N 442.545 1.509 30 10 IDEE COc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(C#N)o1 1697553642 ZIWYAEZJYACMAH-UHFFFAOYSA-N 430.490 1.452 30 10 IDEE CS(=O)(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1698317581 JTLCASNWWQHMRK-SFHVURJKSA-N 446.533 1.470 30 10 IDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705527112 WCXSUNFRBYMCGX-UHFFFAOYSA-N 447.561 1.847 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1705621938 SMCHPYBKPKQLEI-UHFFFAOYSA-N 429.612 1.040 30 10 IDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCc2cnn(C)n2)CC1 1705641560 KGAPKHBPRBTFGV-UHFFFAOYSA-N 434.548 1.416 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1705669477 NQXDJNUOUOTCEO-DHIUTWEWSA-N 425.533 1.978 30 10 IDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1705902489 FVFRUWJZONGUMJ-UHFFFAOYSA-N 440.508 1.868 30 10 IDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1=O 1706507123 GQFUAZOTBDWLGD-UHFFFAOYSA-N 439.564 1.700 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2)CCOC1 1706680530 RGHVZWUHJMNWBC-SIKLNZKXSA-N 432.569 1.923 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1706941908 DPZZAVGJFIDXDU-VLIAUNLRSA-N 445.524 1.626 30 10 IDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](F)(C#N)C1 1712702416 QNFNOXWQIBKRIP-IBGZPJMESA-N 432.481 1.320 30 10 IDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1712703299 XHOKDVZXUOKJDJ-UHFFFAOYSA-N 426.502 1.930 30 10 IDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1712884644 PQYGIZHBVFWWST-JKSUJKDBSA-N 428.459 1.613 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCC(OC)CC1 1722297302 YXFIPHAOPUCTFA-BFWZDYSYSA-N 439.582 1.274 30 10 IDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1722418854 FRWFCIAGOAOFDG-UHFFFAOYSA-N 433.597 1.932 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1722423317 ZBIVLGBKQRWMPQ-ZQHDKMAOSA-N 429.521 1.919 30 10 IDEE C#CCN(CCOC)c1nnc(CC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722427194 RFSYLVHOTWBTGN-RTBURBONSA-N 437.610 1.767 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(OC)OC)c2)CC1 1722437320 RKPXMQBDPCMSDR-IBGZPJMESA-N 438.532 1.324 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 1722475664 WRISOBDNPJQMES-SQGPQFPESA-N 437.566 1.172 30 10 IDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2CC)CC1 1722684984 GYSYLMFTTPRCRH-LJQANCHMSA-N 437.548 1.738 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1722698839 NLCDZOQSPQRIPL-KRWDZBQOSA-N 445.593 1.874 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCOCC2)C1 1722709445 QNAWMDOWCMTZRY-GOSISDBHSA-N 432.569 1.406 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1722725798 SIHJPWDIFBXMAG-NRFANRHFSA-N 448.545 1.550 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722751830 WLZVZEKDGYZDCW-LJQANCHMSA-N 437.953 1.901 30 10 IDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1723783311 DKWPHFZLCYKLNK-AWEZNQCLSA-N 430.534 1.342 30 10 IDEE CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2COCCO2)cc1 1728877982 PLCWOCHCYZAGFJ-FFZOFVMBSA-N 443.504 1.961 30 10 IDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCC=CO1 1729064916 FCSQKJVPBLXRHS-KRWDZBQOSA-N 426.525 1.748 30 10 IDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1729222146 ZHCPRMUCTDMKHX-GOSISDBHSA-N 432.550 1.619 30 10 IDEE CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729305208 AOKSXYXNXBFWKW-ZWKOTPCHSA-N 437.504 1.157 30 10 IDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)OC 1730464229 NFSHYPUSCMJOLD-LAUBAEHRSA-N 426.477 1.509 30 10 IDEE COC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1730592040 IJQFWSWNWYIFHC-YTRIFDNDSA-N 432.525 1.342 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)C1 1731179227 BFEOMGGOBKDAKD-KKSFZXQISA-N 425.468 1.378 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCSc1nccs1 1740532911 MROCYZXWVLNWCE-STQMWFEESA-N 428.609 1.985 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCOCC1 1740552756 OZVCFGQBTZHZOP-SFHVURJKSA-N 439.564 1.842 30 10 IDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1740566296 REYIGSJGSGMXBD-MRXNPFEDSA-N 431.562 1.970 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCCC1 1740642592 YJVQDDZVWPRSSJ-UHFFFAOYSA-N 428.562 1.570 30 10 IDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1CCOCC1 1740686470 JEUIEUKINJZGPJ-UHFFFAOYSA-N 432.594 1.831 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCN(CC)CC2)CC1 1740698637 ZJZWGTWCJMLAGU-UHFFFAOYSA-N 436.608 1.047 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCOC[C@H]2C)CC1 1740703776 ABDWBAHTFMJTIU-GOSISDBHSA-N 437.548 1.027 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1740771722 BQTSETFKZVAFCK-CVEARBPZSA-N 426.512 1.988 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1740952229 YASDDSUGQWOLAH-UXHICEINSA-N 447.628 1.325 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1740959862 GENYBSPMYZGKCK-OKZBNKHCSA-N 432.569 1.605 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1741003264 QIHMRMOCBQEKSU-VVLHAWIVSA-N 441.623 1.765 30 10 IDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@]2(CCOC2)O1 1743244792 KFUIFPADYCKVNG-HTAPYJJXSA-N 427.505 1.600 30 10 IDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)N2CCOCC2)CCOC1 1746710144 BDYRNGIRSUPYCL-VLCRHTCISA-N 432.569 1.781 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1748694308 DPIBASOJXBWVAM-SFHVURJKSA-N 449.515 1.275 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CC(F)(F)F 1748784630 QHCQHYFDEXRWHL-UHFFFAOYSA-N 433.438 1.756 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1748846716 KKGUOWIYYAMQKI-SFHVURJKSA-N 435.513 1.086 30 10 IDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C(=O)OC(C)(C)C)CC1 1748994803 RWLVSOMRTOPFDR-UHFFFAOYSA-N 445.568 1.023 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CCN(C)C)CC2)C1 1749706366 PFHKIAXSBWTRKY-HXUWFJFHSA-N 440.596 1.790 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)N(C)C)C1 1749711974 DZKOAUATKSIKSG-GBESFXJTSA-N 439.626 1.938 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCO[C@@H]2C)C1 1749717164 HNBZKDZPPAHUKI-WHSLLNHNSA-N 447.561 1.591 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1749734277 HYKMZINOUNLALU-UHFFFAOYSA-N 427.477 1.794 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1751193111 JIMXBBVZOAKWPY-CRAIPNDOSA-N 432.550 1.823 30 10 IDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)C(=O)C1 1760138874 KVDCTBQWQBCWDA-FQEVSTJZSA-N 439.516 1.889 30 10 IDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760157943 AFPTUUFCLMLDSO-UHFFFAOYSA-N 447.561 1.751 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1760158224 GZMFXTQOHFQTSV-UHFFFAOYSA-N 433.534 1.361 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760188675 QFLDTKSVDSWWAT-MOPGFXCFSA-N 437.610 1.877 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1760352039 NIASYFSLFSJIQT-SJLPKXTDSA-N 441.598 1.734 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760525808 SDLSHICHOGULPT-QFIPXVFZSA-N 436.520 1.052 30 10 IDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1761303481 FAHHPZOWUNMDPL-PWRODBHTSA-N 441.532 1.987 30 10 IDEE CCCN1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1764434068 HMQGTSSVBMQUSC-UHFFFAOYSA-N 445.593 1.677 30 10 IDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1766957946 BYRKUNMRLDYOFP-LJQANCHMSA-N 428.562 1.926 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1scnc1C 1767843049 BPFDGAFBPZOINV-UHFFFAOYSA-N 431.547 1.767 30 10 IDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1768215456 VZFWNTHMTRYIMH-ZYSHUDEJSA-N 447.561 1.616 30 10 IDEE CO[C@H]1COCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1769133894 IAJSTNAMJRDSJX-UXHICEINSA-N 438.532 1.960 30 10 IDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1770976562 CLIPHZRKBVBQCC-XXBNENTESA-N 438.532 1.805 30 10 IDEE COCCN1C[C@@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C#N)cc2)CC1=O 1771125880 FMMWXSJBASJIEK-IBGZPJMESA-N 446.515 1.738 30 10 IDEE C=C[C@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1850714206 DIDSXYXHPZFMRL-HNNXBMFYSA-N 430.530 1.530 30 10 IDEE N#Cc1ccc(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)cc1 1851905292 YGOARVWYMPDIOS-JOCHJYFZSA-N 436.537 1.997 30 10 IDEE C=C(C)n1c(=O)n(CCCC(=O)NCC2CCN(S(C)(=O)=O)CC2)c2ccccc21 1853060821 GUJZQUHKTCYGHZ-UHFFFAOYSA-N 434.562 1.862 30 10 IDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1856412617 UMAXLIFKOJLTGE-QZTJIDSGSA-N 432.546 1.450 30 10 IDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cc(F)c(F)cc3F)C2)CC1 1857033308 CBCVTGBKMBRAKH-LBPRGKRZSA-N 429.420 1.658 30 10 IDEE C[C@H](C#CC(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902014022 LYIFDWDALYNUBE-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@]2(CO)CCCN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 2022801565 LABTVIGWGUDOCB-YCRPNKLZSA-N 438.525 1.720 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2085655434 XGYXWKJUQJEPBA-CABCVRRESA-N 433.314 1.690 30 10 IDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674258 GZPHKBSTTOEKRM-ZYHUDNBSSA-N 427.332 1.655 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243702514 PFSZHZUEBZRYCN-NSHDSACASA-N 427.332 1.657 30 10 IDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)C1 2247553093 SRYMQPCAOTZQAI-BXFSZVDSSA-N 437.537 1.733 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248401360 HYQBYGFMDIWFDG-VXGBXAGGSA-N 438.359 1.891 30 10 IDEE CC(C)(C)OC(=O)N1CC(CCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248405478 RHEBSLATGXYLAI-UHFFFAOYSA-N 438.359 1.845 30 10 IDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2255527805 RJOCTVJVDVKMFQ-CQSZACIVSA-N 438.305 1.740 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2256018916 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CC(C)(C)OC(=O)N1CC(OCCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2315418909 QNWWEHZPLNXNLI-UHFFFAOYSA-N 436.318 1.075 30 10 IDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1C 2337187231 CBJZQFCJIOOGKW-FICVDOATSA-N 446.357 1.623 30 10 IDEE C=CCN1C(=O)/C(=c2\sc3nc(=O)c(C)nn3c2=O)c2cc(Br)ccc21 34988969 JMSLDVLOKMGTRE-SEYXRHQNSA-N 431.271 1.033 30 10 IDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2F)[C@H](C#N)C(=O)N3)CC1 72444619 DQYJFXGZPFXQGA-GOEBONIOSA-N 439.447 1.912 30 10 IDEE COc1cc(Br)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)c1O 169883471 FOTAFOWPBXFJOY-SOFYXZRVSA-N 429.252 1.303 30 10 IDEE C=CCn1c(NN=Cc2cc(Br)c(O)c(OC)c2)nc2c1c(=O)nc(O)n2C 254393281 CSZVUFVEWRNQLL-UHFFFAOYSA-N 449.265 1.944 30 10 IDEE C=CCc1cc(CNC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc(OC)c1OC 410213872 IALKHQFYFXMOOP-IRXDYDNUSA-N 425.551 1.949 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 460558762 YGRAUSZGWQGUQA-SJORKVTESA-N 427.571 1.440 30 10 IDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 463081790 FZWSKKAHGKYYMY-MBSDFSHPSA-N 429.517 1.834 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccccc1C#N 481979777 JQWOYCJNZCRSNV-UHFFFAOYSA-N 445.529 1.733 30 10 IDEE COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NS(=O)(=O)N(C)CCC#N 535329776 YGQQAHISBSCPIS-CQSZACIVSA-N 443.323 1.694 30 10 IDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 543980447 SBGPXLBBXZXMGS-HXUWFJFHSA-N 435.532 1.310 30 10 IDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2)CC1 549694790 WAZSZVQFSNIVQC-GOSISDBHSA-N 433.534 1.453 30 10 IDEE C=CCOC[C@@H]1NC(=O)N([C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)C1=O 552737309 JYFQJFVOKCOJNN-RCCFBDPRSA-N 443.500 1.793 30 10 IDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4COCCO4)n3C[C@H]3CCCCO3)CC2)nc1 555486001 YHZSSCFPFLSOCR-RTBURBONSA-N 439.520 1.528 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1csc(CC)n1 558674055 VIRSKGKTUUKDNC-CQSZACIVSA-N 426.568 1.452 30 10 IDEE C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 581203802 FQJLFRJRQDCXDR-UWJYYQICSA-N 449.559 1.785 30 10 IDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 604001796 RSUXZVRXXUOHGT-UHFFFAOYSA-N 429.505 1.441 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CCC)C(=O)N2CCc3sccc3C2)CC1 604190873 KEQSOPRWYYWRFW-SFHVURJKSA-N 447.605 1.431 30 10 IDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)nc1 727624814 ZRCMMIJWVSCHJO-UHFFFAOYSA-N 434.500 1.514 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)OC)cc1 729978282 ZKHKNARLZJYAJF-QGZVFWFLSA-N 432.473 1.499 30 10 IDEE COc1cccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 732494291 DGEGTUXHFXFUBH-FPOVZHCZSA-N 446.463 1.818 30 10 IDEE COc1ccc(CCC(=O)N2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742399086 KEQYJHDYNHFWJS-UHFFFAOYSA-N 442.541 1.886 30 10 IDEE COc1ccc(CNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 746723537 VAQZHFSQMPMASW-UHFFFAOYSA-N 431.493 1.445 30 10 IDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)c3cc(C#N)cn3C)CC2)cc1 751726239 CRZURUSBFRMTAA-INIZCTEOSA-N 444.513 1.284 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C(C)C)c1 751922785 FTYFQBOQQCDTFI-QAPCUYQASA-N 447.605 1.944 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 757989135 VKOXFBDYNIUFDR-INIZCTEOSA-N 436.497 1.874 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)/C=C\c3ccccc3)CC2)n1 760854171 QGGLSAOOSCIINO-YBEGLDIGSA-N 425.514 1.582 30 10 IDEE CC[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(F)F 766039345 OKSRKHOUKHZHBK-UONOGXRCSA-N 428.505 1.692 30 10 IDEE COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1C 773973869 AWJOUPJKZMWLDA-INIZCTEOSA-N 445.501 1.564 30 10 IDEE Cc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc2cccnc12 783942659 MAGNEDKFVUGHNE-UHFFFAOYSA-N 431.521 1.125 30 10 IDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)OCC(F)(F)F 788880479 AKYAFRJVFJUVQY-GFCCVEGCSA-N 436.408 1.789 30 10 IDEE Cn1cc([C@H](O)C[C@@H]2CCCN2CC#CCN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cn1 792870380 HOHGRHURXBAHCV-UEQSERJNSA-N 440.592 1.633 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1Cc1ccccc1 799936417 SSBMEABTFQCQIU-UHFFFAOYSA-N 449.507 1.911 30 10 IDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 811454000 VGUPHWNFIGLPDP-ROUUACIJSA-N 430.480 1.980 30 10 IDEE Cc1ccc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)cc1I 813957921 IGJPUMXXGSIOOI-UHFFFAOYSA-N 429.239 1.929 30 10 IDEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(NS(C)(=O)=O)c1 918090804 YGGUBZBIENGPHE-HNNXBMFYSA-N 428.518 1.918 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 918986708 RSJBVCVWGBIMQY-MSOLQXFVSA-N 435.502 1.205 30 10 IDEE N#C[C@H](CO)NC(=O)c1ccc(I)c(I)c1 1140739085 AXIADZJEBNFGGD-SSDOTTSWSA-N 441.994 1.510 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)CC1 1152968030 XMKSWSRIMHYUQD-UHFFFAOYSA-N 445.545 1.133 30 10 IDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](CO)[C@H](CCO)C1 1159699097 WPNRHTVIWYSLRM-KGLIPLIRSA-N 427.295 1.548 30 10 IDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1OCC)[C@@H]1CCS(=O)(=O)C1 1230191094 DTBBQPYVZSRSSV-NJDAHSKKSA-N 433.574 1.355 30 10 IDEE C#CCN(c1nnc(C)n1Cc1nc2cccc(Cl)c2n1C)[C@@H]1CCS(=O)(=O)C1 1286380871 DTUCZWKHXDHTTQ-CQSZACIVSA-N 432.937 1.802 30 10 IDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)COC)CC1 1286499050 IKFAYAJKLXDHQH-UHFFFAOYSA-N 429.546 1.615 30 10 IDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1286504169 IYRGVYWFJNRHSL-QWHCGFSZSA-N 444.483 1.100 30 10 IDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286515273 WFOJSSXZONTHSZ-QGZVFWFLSA-N 443.577 1.930 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1OC)C1CC1 1286738117 QKZZISDJMRVOBH-NXHRZFHOSA-N 439.582 1.581 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1286781584 UVQHDLFSVMZOMN-UHFFFAOYSA-N 449.556 1.023 30 10 IDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1298555284 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436.559 1.945 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(OC)c1 1302310516 AGPYDAWNNOIQJB-ZWOKBUDYSA-N 443.504 1.796 30 10 IDEE CC[C@]1(C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1305890626 GNIBQVVYYSDLHN-KWEZKLGQSA-N 430.509 1.314 30 10 IDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCc2c(sc(N)c2C#N)C1 1308131902 MYCGXIKLXJXJPL-LBPRGKRZSA-N 433.559 1.838 30 10 IDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)CC1 1309436469 KAIISFPGBJNWBF-UHFFFAOYSA-N 432.420 1.642 30 10 IDEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccc2O1 1309775615 GDVHCHDLGJRURJ-OAQYLSRUSA-N 441.509 1.936 30 10 IDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)CC1 1316535914 HDDUIJPFOBCQSZ-UHFFFAOYSA-N 427.553 1.933 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 1323361175 AMNAKELXKXNQIU-OZNQOIHVSA-N 429.521 1.337 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1358881282 BZYZBUCLRKLKNW-IRXDYDNUSA-N 439.516 1.669 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCOC1 1359015854 HIXQGPVKMKUOBO-DHIUTWEWSA-N 444.507 1.861 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2CC2(CN3CCOCC3)CCCCC2)CC1 1359039444 JKJUHBBSUPCPFP-UHFFFAOYSA-N 444.624 1.853 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359048483 RXFQSDYPSYDSBB-KRWDZBQOSA-N 431.566 1.193 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2CCOC2)CC1 1359048486 RYQNUEOIYOXAAM-IHPCNDPISA-N 445.564 1.395 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359125679 OUTODAFPRBDPEY-ROUUACIJSA-N 434.541 1.152 30 10 IDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1359165534 RBPONRDBCIFCQF-KRWDZBQOSA-N 441.623 1.707 30 10 IDEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359224293 MEVOBOKSBSAVBH-QGZVFWFLSA-N 442.520 1.769 30 10 IDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1359232533 XBTVFSFAYGGHFL-NHCUHLMSSA-N 437.610 1.760 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1359291632 YDCGDXSGMUPZDW-LPHOPBHVSA-N 427.505 1.856 30 10 IDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359456282 URRUYMXUQDADNU-IBGZPJMESA-N 435.532 1.838 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)C2CC2)CCOC1 1360338335 BSBQUNCQPCGEAL-JOCHJYFZSA-N 430.553 1.975 30 10 IDEE N#C[C@H]1C[C@H]1C(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1360396056 XBLOSHYEGSHUGV-CZUORRHYSA-N 426.336 1.527 30 10 IDEE N#C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCc2ccccc2C1 1447862840 BRCMGBICSALTKB-JOCHJYFZSA-N 441.509 1.694 30 10 IDEE C=CCC1(O)CCN(CC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 1460799536 DSPQIPCUPWHUBA-UHFFFAOYSA-N 435.569 1.723 30 10 IDEE Cc1nsc(N2CCN(C(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)CC2)c1C#N 1468580779 VBZQNAMVIPGAKR-JOCHJYFZSA-N 425.558 1.999 30 10 IDEE C=CCCC[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(=O)OC 1471895413 PCCREZHNSHWGNQ-STXHMFSFSA-N 444.550 1.282 30 10 IDEE CCOC(=O)CON=C(C(=O)N(C)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)c1cc[nH]n1 1472400715 LNJXRWLDQDSIAH-STQMWFEESA-N 435.481 1.017 30 10 IDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1498107478 AJLQGNMCTMGLJU-RBUKOAKNSA-N 427.505 1.954 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1507588343 KBKUFTQKLPFJQR-LJQANCHMSA-N 447.605 1.965 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1507668897 FHBCELVQFCQITD-LEWJYISDSA-N 440.569 1.901 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1507707438 WMVWIDXUBLQXJE-LJQANCHMSA-N 441.532 1.963 30 10 IDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(O)(CC)CC)CC1 1507723589 NSLXVPCEWOIRJT-UHFFFAOYSA-N 449.559 1.498 30 10 IDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccnn2)CC1 1507744252 PYFUNASOIKYALI-UHFFFAOYSA-N 442.593 1.680 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1507791221 JJYCHQOAXPXKFH-BZSNNMDCSA-N 428.541 1.831 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507842847 DFURJPOZASOUKX-KRWDZBQOSA-N 444.536 1.951 30 10 IDEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507932695 YNMUCKVIODUCEF-UHFFFAOYSA-N 439.564 1.677 30 10 IDEE CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1508870994 CYNFDQXJIQJAPG-IAGOWNOFSA-N 444.540 1.957 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1512577755 HPGJGLMSNFLREB-HJPURHCSSA-N 438.532 1.839 30 10 IDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)C(C)C 1516592780 SJPPVTAQZFNRJJ-UHFFFAOYSA-N 440.552 1.570 30 10 IDEE CN(CCc1nccs1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1517281106 XNBABGOAYKQPNE-HTXNQAPBSA-N 438.517 1.935 30 10 IDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@](C)(C#N)C1 1517627662 OMHMFGLCBRGYND-IBGZPJMESA-N 438.504 1.826 30 10 IDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(C)(C)O)c1 1519164926 WQGVJOJPONZBBR-SFHVURJKSA-N 426.521 1.871 30 10 IDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3nn(C)cc3C#N)CC2=O)cc1 1524280893 FCMGFLISUUYERB-AWEZNQCLSA-N 444.517 1.314 30 10 IDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539132569 NGJWEVOZIVUMTG-HNNXBMFYSA-N 430.534 1.960 30 10 IDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539220089 PMXVQUJMECEQCF-FQEVSTJZSA-N 438.557 1.770 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1539324281 SJKWRNNARDURKQ-OFNKIYASSA-N 443.617 1.843 30 10 IDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539340386 LRPQZJMTJRLYMN-MSOLQXFVSA-N 448.593 1.178 30 10 IDEE CS(=O)(=O)Nc1nnc(NC(=O)COc2ccc(C#N)c(Br)c2)s1 1543498444 AEEODVDFZCHIEL-UHFFFAOYSA-N 432.281 1.561 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(C)(C)CN2CCOCC2)s1 1546063241 KGHMHLJTYAAKBB-UHFFFAOYSA-N 429.608 1.572 30 10 IDEE CN(C)CCOc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1552871963 YCHKDZICZXNHAA-PZJWPPBQSA-N 440.548 1.890 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C1 1556132220 GZBIMDPGRONUPE-WFASDCNBSA-N 443.435 1.363 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCC1CS(=O)(=O)C1 1556216769 FDSOBDRVRUFPMU-GOSISDBHSA-N 433.530 1.943 30 10 IDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1558600863 PBMSKIOEWIRMJC-UHFFFAOYSA-N 442.321 1.857 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCn1ccnc1)C1CCSCC1 1568916973 BTERJZYWKKRAQA-INIZCTEOSA-N 447.586 1.846 30 10 IDEE COCCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C(C)(C)C1 1585241125 VNKHEDZCXBNTAN-GOSISDBHSA-N 427.505 1.332 30 10 IDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 1587644795 IHUDSQIRKKPQHS-ZDUSSCGKSA-N 425.411 1.873 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588045779 QKZPSUBFMSUWSC-NPPFBWRTSA-N 444.557 1.420 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOCC1(C)C 1588174168 RHIGMZGPTFFTOG-UHFFFAOYSA-N 428.581 1.770 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1588732861 ICCGIJYGXMWDOY-UHFFFAOYSA-N 445.568 1.136 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC1 1588913341 HTNRQUWVZOWDNV-INIZCTEOSA-N 430.459 1.730 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1595555933 KXHBDQYVTARDRG-UHFFFAOYSA-N 436.495 1.427 30 10 IDEE C=CCSCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1595905704 ONROAZVXFIXXES-NQIIRXRSSA-N 437.610 1.759 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)s1 1598443466 SAOXPKACJANWID-CYBMUJFWSA-N 431.605 1.571 30 10 IDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NOc2cccc(C#N)c2)c1 1611620070 ALSMOYDVPBVZDD-UHFFFAOYSA-N 430.486 1.369 30 10 IDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](O)C(=O)OCc3ccccc3)ccc2c1=O 1611631023 WEDOMVAUKVWNBO-SFHVURJKSA-N 439.493 1.705 30 10 IDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1611649051 UAXGRRDNUQFPMP-UHFFFAOYSA-N 445.497 1.891 30 10 IDEE CCN(CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1615643329 CPBMZQIRLAJCEV-HNNXBMFYSA-N 428.497 1.721 30 10 IDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1620148666 AAWNJAZAFPQECD-CRAIPNDOSA-N 425.530 1.971 30 10 IDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)c(OC)c1 1621680946 ARUMEAFIMZNMBO-UHFFFAOYSA-N 429.498 1.917 30 10 IDEE N#C[C@H]1CN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CCN1Cc1ccccc1 1627791740 FCQCAFWXSQOWCJ-INIZCTEOSA-N 431.493 1.122 30 10 IDEE COc1ccc(N2C[C@@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2=O)cc1 1628949674 HAFLEBXNJBTZOY-INIZCTEOSA-N 442.497 1.341 30 10 IDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1632199142 DFCLDKJPKOQWMY-QGZVFWFLSA-N 428.514 1.504 30 10 IDEE Cn1cc(-c2nn(C)cc2NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1634825800 OTFOQCWCCBSSPR-INIZCTEOSA-N 432.444 1.536 30 10 IDEE C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)C(=O)OC 1635158571 FBONBXWPDQZLGM-HOCLYGCPSA-N 428.407 1.914 30 10 IDEE COCCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1637302051 PCDGFKBHTLHVAL-ZIAGYGMSSA-N 429.926 1.750 30 10 IDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 1637932705 LKFIPJDSQWEQIZ-RBUKOAKNSA-N 442.516 1.662 30 10 IDEE C#C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1638849321 ZFRYUGYTMDINKN-QGZVFWFLSA-N 428.466 1.368 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)CC1 1643372489 NSMPOWMETLCIIE-MRXNPFEDSA-N 447.586 1.125 30 10 IDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCOC(F)(F)C(F)(F)F 1644089154 HASQIFHNFUGAMP-NSHDSACASA-N 426.260 1.906 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(c3ccccc3OC)CC2)c1 1647925874 BDQARIPGCUOOCE-UHFFFAOYSA-N 427.526 1.959 30 10 IDEE C=C(C)C[C@H](CO)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1650971993 DIGMTNACOIQYDP-OAHLLOKOSA-N 437.518 1.212 30 10 IDEE COc1ccc(NC(=O)Cn2c(C#N)nc(C)c2C)cc1S(=O)(=O)N1CCOCC1 1652987563 FVKHVVYUFJSCGN-UHFFFAOYSA-N 433.490 1.040 30 10 IDEE C#CCN(CC#CC)CC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 1653461889 WHNUHJFBRJNARJ-UHFFFAOYSA-N 435.528 1.823 30 10 IDEE C#CCCS(=O)(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1663857429 JSBDFKHBEYNNKU-IRXDYDNUSA-N 440.566 1.207 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NC(C)(C)c1cccc(C#N)c1)CCS2(=O)=O 1676632308 MPXRTGOBKZZCLB-FIWNRLKKSA-N 433.530 1.992 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1682226675 OMCRBARARIZQNX-NEKNQUFESA-N 440.422 1.802 30 10 IDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689982387 LYWRVRUCZQJVNM-KRWDZBQOSA-N 445.501 1.395 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689991282 ZDVFDGAXEYFTOC-VQTJNVASSA-N 449.621 1.531 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccn(CC)c2=O)C1 1690684867 QBJFWJSXCWTGTR-GOSISDBHSA-N 426.521 1.525 30 10 IDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1696578125 FOGVWYOJUWABNJ-UTKZUKDTSA-N 441.515 1.120 30 10 IDEE COCCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1698185148 VRIVDDTUUQLGDU-ZWKOTPCHSA-N 440.504 1.340 30 10 IDEE CS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1698317969 SDBDWHOSBCOQSI-UHFFFAOYSA-N 431.522 1.020 30 10 IDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1698483590 GEVLZJGCPRGRMC-MGPUTAFESA-N 429.431 1.438 30 10 IDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCc1ccc(S(N)(=O)=O)cc1 1705476257 UTXMDGLRPLIJIY-HNNXBMFYSA-N 446.577 1.545 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1705494530 BIYCGHRGIHGALH-ULQDDVLXSA-N 437.541 1.706 30 10 IDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1705561133 QFHANYJTQJTZBK-OEMYIYORSA-N 436.578 1.756 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705565892 KLCJHUBNQNRVSA-MRXNPFEDSA-N 430.559 1.724 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)C(=O)NC 1705575820 YVWVULOAAOIAMG-UHFFFAOYSA-N 439.516 1.816 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1705628615 LPOQVIRIDHKUNN-UHFFFAOYSA-N 440.552 1.016 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)NCCC)CC1 1705636258 CVFMMUDCIRDXDH-UHFFFAOYSA-N 440.548 1.634 30 10 IDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1)C1CC1 1705849706 UELGRSLUJPMSFX-OAHLLOKOSA-N 442.549 1.672 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705894765 KFCXCCNLDAWYCD-KRWDZBQOSA-N 445.612 1.809 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705896441 MYLIQPPWPHRFRY-CTNGQTDRSA-N 449.559 1.666 30 10 IDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1705900836 RIXWEBSLHRTPJU-NRFANRHFSA-N 425.468 1.218 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1705901456 MDYKMEQMFGTCDE-INIZCTEOSA-N 427.465 1.119 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705904116 GCDQGHBBDQTTHE-HNAYVOBHSA-N 440.504 1.150 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)CC1 1705904693 VFCGGLHXIMQCEU-FQEVSTJZSA-N 440.548 1.871 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705906659 LSQYTZPVPJIFAQ-KRWDZBQOSA-N 447.561 1.399 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCOCC1 1705936142 KQUABPXFDPLPIH-GOSISDBHSA-N 434.518 1.618 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705937799 FHCJFVDJBGUNHI-RBUKOAKNSA-N 449.625 1.659 30 10 IDEE Cc1ccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1 1707316712 GZGWJUXLMOORBI-UHFFFAOYSA-N 435.532 1.879 30 10 IDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCS(=O)(=O)C1 1722385569 IVKVEFPUHLIKCB-GOSISDBHSA-N 442.541 1.763 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1722392449 MKDPJSRESYINEM-MRXNPFEDSA-N 426.498 1.571 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1722466996 KBQWHHSCZQXSKC-ZWNOBZJWSA-N 440.314 1.868 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1722467879 CXLABYBXJQCLLJ-CTNGQTDRSA-N 436.578 1.888 30 10 IDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1722581477 CDFXIDMOWLHMKA-AWEZNQCLSA-N 449.581 1.147 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)C1 1722709599 TYCZVRBWDACUQI-IBGZPJMESA-N 445.612 1.321 30 10 IDEE CC(=O)NCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 1722856765 YPDXPVYADLAGIQ-WBVHZDCISA-N 449.556 1.709 30 10 IDEE CC(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723090638 KOXHYPARAFPKBY-HNNXBMFYSA-N 439.520 1.479 30 10 IDEE Cc1nnc(N2CCC(OC[C@@H]3CCCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726387550 XBPPNXXJCHVVPR-OQLSDQBISA-N 444.536 1.667 30 10 IDEE CCCN1CCC[C@H]1Cn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1728159832 FVSWNPNLDSWFEU-SFHVURJKSA-N 425.585 1.955 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCOCC1 1729408235 ALROAPDEDFCZEB-UHFFFAOYSA-N 434.504 1.436 30 10 IDEE COC[C@@H](F)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1730480036 JQAYUSSAKFXWDQ-GJZGRUSLSA-N 435.456 1.684 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740561121 XBRZWFBYDNUQNG-ZWKOTPCHSA-N 431.562 1.782 30 10 IDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCN1CCC(O)CC1 1740602926 ZVVULPSPPFTLGN-UHFFFAOYSA-N 443.548 1.887 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-c1cnn(C)c1 1740641089 CNGUHTYILYGQFV-UHFFFAOYSA-N 427.512 1.922 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)Cc1cccc(F)c1 1740652724 KZZRBSRRVGGOJF-UHFFFAOYSA-N 433.491 1.640 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC2(F)F)CC1 1740695965 IFNGASIUSNKCBP-DLBZAZTESA-N 441.548 1.761 30 10 IDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740715708 DTVUJTCAGICLBC-SFNQZPIRSA-N 431.587 1.969 30 10 IDEE C=C(C)COCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1740798886 CUICJKIWBICONS-DHIUTWEWSA-N 449.596 1.824 30 10 IDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1740889432 BIDMCJYYUKPZKV-UHFFFAOYSA-N 439.564 1.934 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1740960079 KQYDNNPYDRQQRT-PKOBYXMFSA-N 427.505 1.671 30 10 IDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCN(C)C(C)(C)C2)CCOC1 1741123792 AZKVLBIYDRTFDJ-AUSIDOKSSA-N 447.628 1.941 30 10 IDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)COCCO1 1742010265 PUXCMXHLYNNFEM-OAQYLSRUSA-N 445.545 1.636 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1748664949 LGLFRVQQBXBCIZ-INIZCTEOSA-N 431.500 1.370 30 10 IDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1748848587 KHGOEGAYMACWGS-GHVJWSGMSA-N 428.496 1.777 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1748863959 LWKBBQYDNLAIHV-QZTJIDSGSA-N 434.610 1.472 30 10 IDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1snnc1C 1748961113 VMHCXMXBDWFGKL-UHFFFAOYSA-N 436.501 1.888 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OC)CCC(C)CC2)CC1 1748971461 QLYMUZCQXSWZKT-UHFFFAOYSA-N 428.581 1.865 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](CC)OC)CC1 1749008875 HVLUVRCQXNCZJZ-MRXNPFEDSA-N 442.520 1.397 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749044510 RHWLJSLSKDRMHA-KBPBESRZSA-N 431.484 1.923 30 10 IDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1749752574 URHLRALAPRQWMA-UHFFFAOYSA-N 439.611 1.363 30 10 IDEE Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1751911660 AWTNBSNZFVOUHU-FOCLMDBBSA-N 448.409 1.484 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1760242273 XXEALOGWQDPZGC-INIZCTEOSA-N 443.508 1.136 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1760287766 FUDCFFUVYKJZLS-HSZRJFAPSA-N 431.500 1.973 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760347778 XCYDOHYJYPZQIE-FQEVSTJZSA-N 445.612 1.208 30 10 IDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1)C1CC1 1760473900 ISXPDBGPZNQDEB-SFHVURJKSA-N 429.546 1.999 30 10 IDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760558210 JDDWUTWGWRHIMU-MRXNPFEDSA-N 425.555 1.007 30 10 IDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760565824 FRIIESIRNWVJCA-GOEBONIOSA-N 427.596 1.156 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)C1=O 1767504946 FHCDPNSLYFXFQV-FQEVSTJZSA-N 447.465 1.979 30 10 IDEE CN(C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1768417306 BPGCRDLVRYKKTP-NRFANRHFSA-N 431.516 1.747 30 10 IDEE CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1768937287 JTBIJKCUMXQHOC-UHFFFAOYSA-N 440.548 1.801 30 10 IDEE CNC(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1769320311 LLISBQYFMFTTPZ-APWZRJJASA-N 442.520 1.588 30 10 IDEE COCCCN(c1nnc(CC2CC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1769710351 NNZKXBRKWZSGAS-INIZCTEOSA-N 433.534 1.774 30 10 IDEE COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769794424 YPPLBRAJQCLVLF-UHFFFAOYSA-N 448.531 1.377 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1770049644 FGQDGMRZLFNZFI-FCGDIQPGSA-N 436.557 1.230 30 10 IDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1770749414 XPSRVYHQCXPNGW-DPHDRGAJSA-N 437.435 1.339 30 10 IDEE N#Cc1cccc(OCC2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)n1 1849829232 SQTPRHIBHFHSFA-QGZVFWFLSA-N 432.546 1.775 30 10 IDEE COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCCN2CCC(C#N)CC2)cc1 1850278733 IJNPIIVHVMWWAX-FQEVSTJZSA-N 434.562 1.590 30 10 IDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCCc3nc(C#N)cc(Br)c31)CC2 1850770533 NJUQFSWJBXOKGI-NSHDSACASA-N 428.290 1.894 30 10 IDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)OCCN2CCOCC2=O)CC1 1850986955 RUROUUHWQBOGGM-UHFFFAOYSA-N 426.448 1.864 30 10 IDEE COc1ccccc1-n1nncc1CN1CCN(C(=O)COc2ccccc2C#N)CC1 1852407997 SBAFMAOVUOWATJ-UHFFFAOYSA-N 432.484 1.871 30 10 IDEE C=C(C)CN1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(=O)C12CCCC2 1853695914 PPRYPZSJNYJRIM-UHFFFAOYSA-N 431.514 1.391 30 10 IDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)c2cnnn2C)CC1 1854427087 ISXILCCCDGYGBZ-UHFFFAOYSA-N 429.502 1.666 30 10 IDEE COc1cc(S(N)(=O)=O)cc(C(=O)NCC#CCN2CCc3ccccc3C2)c1OC 1889957491 LENQNXRDBIMNLV-UHFFFAOYSA-N 443.525 1.143 30 10 IDEE COC(=O)[C@H](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)NC(=O)OC(C)(C)C 2010509994 SWAQQIWGWKUACH-ROUUACIJSA-N 430.505 1.679 30 10 IDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)C1 2213497488 IFYPWIJVXUHURY-KFWWJZLASA-N 441.525 1.057 30 10 IDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255622649 CGONNKURULLIIA-DZGCQCFKSA-N 434.346 1.845 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](OCc2ccccc2)C1 2255697129 DSKUIUKUAGEANY-QGZVFWFLSA-N 426.326 1.936 30 10 IDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCCNC(=O)OC(C)(C)C 2255830745 KAMZYFLQBKQLHK-UHFFFAOYSA-N 438.334 1.604 30 10 IDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2)OC1(C)C 2255932133 XDLJPWVCLHECTF-IBGZPJMESA-N 443.378 1.934 30 10 IDEE CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](CO)C1 2256896250 XWCFTXNKKBGKTK-HNNXBMFYSA-N 437.321 1.938 30 10 IDEE C[C@H]1CC[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2267113036 OSXBSXLTVNUUCJ-KBPBESRZSA-N 449.361 1.632 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC12CC(NC(=O)c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)C2 2267171624 NFUQSMKPLAQZFU-HEOKHYPTSA-N 444.341 1.951 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n1 2267502437 NMURXHZYIBREHB-SFHVURJKSA-N 440.353 1.350 30 10 IDEE Cc1c(C(=O)NC[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267506353 WQYFUSJQBZGKEB-LSDHHAIUSA-N 448.373 1.918 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2COC[C@@H]12 2267518981 HFHGSBONUROBIE-CFVMTHIKSA-N 448.329 1.073 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]2C1 2267536978 NSTXUDLBTXWCKB-PEBXRYMYSA-N 444.341 1.905 30 10 IDEE C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267585164 QXSGVKDCGQGFQR-RYUDHWBXSA-N 442.247 1.447 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2267588132 ICPLTYPOHKCOBI-WBVHZDCISA-N 447.341 1.650 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269045792 QXPVOGOBZLBCIS-KRWDZBQOSA-N 442.325 1.034 30 10 IDEE C=CCOC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2286038913 BPZFWUWMAZRRQU-GOSISDBHSA-N 440.518 1.451 30 10 IDEE COc1ccc([C@H]2C(=C(O)c3c(C)n[nH]c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1 2296618193 BOKBLLOZZOSPID-FQEVSTJZSA-N 440.500 1.789 30 10 IDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2337191718 CJQHSUDOPGYKLC-KFWWJZLASA-N 446.357 1.847 30 10 IDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2367819063 OCIDGGHYVPTAGP-KNQAVFIVSA-N 434.558 1.709 30 10 IDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1 238944429 WHUPLTLFJPBWHB-UONOGXRCSA-N 438.513 1.501 30 10 IDEE COc1ccc(S(=O)(=O)NN=C(C)c2ccc(NC(=O)/C=C/C(=O)O)cc2)c(OC)c1 254758893 JDZGWUGHVVOSRK-MFCUXHCSSA-N 447.469 1.986 30 10 IDEE CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409860312 GNHZRAUQFRHJEB-MRXNPFEDSA-N 430.534 1.589 30 10 IDEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCN(c2cnccn2)CC1 434738710 OXYNTQBCBMJHGC-LJQANCHMSA-N 439.589 1.848 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H]3CCC[C@H]3[C@@H]1C(N)=O)CCCC2 469835797 GJGZRQFVJSLJKY-NRVIRDBHSA-N 439.560 1.942 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)CC2)c1C#N 472287372 PJYWHMWUNAMGPE-SFHVURJKSA-N 426.546 1.544 30 10 IDEE COc1cnccc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 478467932 HZIZOBSBGZSMMC-UHFFFAOYSA-N 429.502 1.163 30 10 IDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478749633 WGPATEICTJDNLR-QGZVFWFLSA-N 443.573 1.286 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 483126169 UFJJJXGAHCIFJD-PXNSSMCTSA-N 426.542 1.958 30 10 IDEE Cc1ccc([C@H](C)[C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 493001747 BCVIQBUDOPTRQS-LAUBAEHRSA-N 427.526 1.864 30 10 IDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccc(OC)n3)CC2)cc1 517117789 WDQGESMOMGLRKN-UHFFFAOYSA-N 446.533 1.646 30 10 IDEE CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(OC)cc(C)n2)c1=O 538497108 AMJMCFFQHJRMQL-UHFFFAOYSA-N 444.557 1.078 30 10 IDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 545151078 MBJUCMRYKCBCMM-RHSMWYFYSA-N 432.502 1.648 30 10 IDEE C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 549257151 VUIJVXVKUAKMJA-KRWDZBQOSA-N 447.561 1.983 30 10 IDEE Cc1ccc2[nH]cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(=O)c2c1 557350553 BODBUSJOLQSPPZ-UHFFFAOYSA-N 436.493 1.855 30 10 IDEE C[C@@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 557471569 BLMMXRLJMSIOLW-QAPCUYQASA-N 428.514 1.987 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 564498979 SVHGURNXSOEZRJ-UHFFFAOYSA-N 442.545 1.919 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(Br)cn2)CC1 608930563 ANIBMECGDYVWDA-UHFFFAOYSA-N 435.303 1.862 30 10 IDEE O=C1NCCN(CC#CCN2CCNC(=O)[C@@H]2c2ccccc2F)[C@H]1c1ccccc1F 671243197 SZOJJWBMZHPEJF-VXKWHMMOSA-N 438.478 1.614 30 10 IDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 679755029 JMKZDWPSTMVTKS-UHFFFAOYSA-N 443.594 1.566 30 10 IDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 685555155 SLRWWLPVVPYPQU-UKRRQHHQSA-N 431.566 1.823 30 10 IDEE COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)cc1F 727417352 JEQINIFMIOCHIV-UHFFFAOYSA-N 427.457 1.667 30 10 IDEE CNC(=O)c1cncc(/C=C\C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 732410562 LCMNUNZTTSEZMX-FPLPWBNLSA-N 430.424 1.694 30 10 IDEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2n1CCCCC2 742517178 DCBMHFALLARPNO-KGLIPLIRSA-N 430.534 1.699 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 745872883 DTNAPZJNWWDHSK-MSOLQXFVSA-N 437.585 1.699 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 757177598 NMIZCRFZFICATJ-HUUCEWRRSA-N 443.533 1.701 30 10 IDEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 762508783 ICSMCTCEFUUHPZ-SFHVURJKSA-N 429.546 1.668 30 10 IDEE Cc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 763433949 GXELBEIZEACGCZ-GOSISDBHSA-N 448.548 1.878 30 10 IDEE C#CCN(C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 774224530 CXFHRRUZFDNTAP-GFCCVEGCSA-N 439.843 1.965 30 10 IDEE N#Cc1cccnc1NCCNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776039208 SNKRXDGQFSANES-VQTJNVASSA-N 433.516 1.263 30 10 IDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 779851920 AQHAYRLHHHXYJU-OAQYLSRUSA-N 446.529 1.541 30 10 IDEE N#Cc1ccc(CNC(=O)COC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)cc1 780254281 CIZPZXRQUJCKOS-QHCPKHFHSA-N 437.452 1.803 30 10 IDEE C#CCn1ccc(CN(CCOC)Cn2nc(Br)nc2Br)n1 788366988 SFQKDJHYDCFIOM-UHFFFAOYSA-N 432.120 1.739 30 10 IDEE COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)F 808317984 VWTLXHKUECIJOP-CYBMUJFWSA-N 426.486 1.280 30 10 IDEE C[C@H](F)CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 814709190 URYNWPLUGDHLKU-BBRMVZONSA-N 437.541 1.533 30 10 IDEE COCC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 814834234 VIVUFKBRBGQPEK-UHFFFAOYSA-N 447.517 1.994 30 10 IDEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 815412365 ALMYFCURXUPAOE-UHFFFAOYSA-N 431.514 1.245 30 10 IDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917356295 IZXFBCIJGFPKAY-UHFFFAOYSA-N 447.564 1.683 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(C(=O)CC#N)CC3)nn2)C1 1137370755 AADADWNJTYZFFH-HNNXBMFYSA-N 431.497 1.048 30 10 IDEE N#C[C@@H](CO)NC(=O)c1cc(I)ccc1I 1140739477 KQQNMAZDUOGRHA-ZETCQYMHSA-N 441.994 1.510 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H]2CC[C@H]1CC(c1cnn(C)c1)C2 1153186236 XGZYYAGLGGXRKF-JVPBZIDWSA-N 427.530 1.896 30 10 IDEE O=C(Cn1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cn1)NC1CCCC1 1161802226 MSPLNQZAJIKTSN-UHFFFAOYSA-N 439.472 1.460 30 10 IDEE C[C@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1167523393 BMXZDRBMNZWUKX-CABCVRRESA-N 433.509 1.610 30 10 IDEE COc1c(F)cc(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1S(N)(=O)=O 1179404867 JNTSENXDLPCPMY-QGZVFWFLSA-N 433.461 1.496 30 10 IDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1=O 1189701769 RPVBAYGWGXNGEK-CYBMUJFWSA-N 431.308 1.726 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1227963062 SVTSVOCDDHWGDD-UHFFFAOYSA-N 437.518 1.055 30 10 IDEE Cn1ccc([C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccc(Cl)cc2)n1 1233739850 KJALYRAEWQCJBY-QGZVFWFLSA-N 439.863 1.563 30 10 IDEE C#CCN(c1nnc([C@@H](C)CC)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1286383613 DKAKHIBZUPMOQZ-HOTGVXAUSA-N 428.580 1.019 30 10 IDEE C#CCN(c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1286385608 OIWBXLRWHKIPBY-OALUTQOASA-N 428.558 1.972 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286393573 LNFXILYVHZGYKW-OALUTQOASA-N 449.621 1.673 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1-n1cccn1 1286416144 VWVFYCZJZXBMQU-UHFFFAOYSA-N 428.500 1.606 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1286522165 IDIJPTVWSSZMSR-DENIHFKCSA-N 443.573 1.960 30 10 IDEE C=CCNC(=O)Cn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@]1(OC(C)C)CCOC1 1286792697 FQQYRIUHRQOZQA-RWXMOILYSA-N 433.553 1.218 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(C)s2)C1 1286798564 LLRNHZJLBSOUAK-CQSZACIVSA-N 426.506 1.915 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1292134175 QGNQLHRMTYSOMC-GOSISDBHSA-N 449.519 1.759 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCC(=O)NC)CC1 1300682053 DTSUMJOUUUBIRC-GOSISDBHSA-N 440.548 1.708 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCOC2)CC1 1300719395 ZEFSXJPSDBEBJF-QHCPKHFHSA-N 439.516 1.071 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301514754 MPFLUABHRDWTAE-QAPCUYQASA-N 433.484 1.539 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1301578503 CJEVQZPZNFBQHY-UTKZUKDTSA-N 447.561 1.634 30 10 IDEE CC(C)CCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1303066505 HQMJTYNVMYACQD-OAQYLSRUSA-N 446.577 1.580 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1303450980 NRXDECPVFGWYQQ-GOSISDBHSA-N 438.536 1.290 30 10 IDEE N#Cc1cn(CC(=O)N2CCOc3c(Cl)cc(Br)cc3C2)c(=O)nc1O 1304718737 UANWCFPYCHUVQE-UHFFFAOYSA-N 439.653 1.658 30 10 IDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1306545508 SPMHMEPOZOTFSK-BOCKYXSRSA-N 438.532 1.995 30 10 IDEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCCCCO)cn1 1314904682 UVJWIGXSTRBDAQ-UHFFFAOYSA-N 435.536 1.825 30 10 IDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1316347416 DJJXTWPMHYBEQR-UHFFFAOYSA-N 440.533 1.369 30 10 IDEE N#C[C@H]1C(CN2CCN(C(=O)c3ccc(O)nc3)CC2)=CC(=O)n2c1nc1ccccc12 1336598587 DNAZULDNYGUGHO-KRWDZBQOSA-N 428.452 1.782 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1358978375 KVBRUAMUBQDPJD-RZFJCUDFSA-N 427.549 1.125 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)C(=O)NC)CC1 1359039866 ZDGGOKQJXMTBHL-UHFFFAOYSA-N 440.548 1.393 30 10 IDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359058958 WAFYKHITSKFKDD-QGZVFWFLSA-N 425.518 1.900 30 10 IDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359197474 QEQSZYGYNTUIEL-UHFFFAOYSA-N 426.587 1.633 30 10 IDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1359230857 HTCVMFBWBMNGHH-INIZCTEOSA-N 444.565 1.756 30 10 IDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1)C1CC1 1359250884 WJTLVMRYQBVAQK-GOSISDBHSA-N 426.496 1.882 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359334739 PGVBWDGSRBDRLK-GOSISDBHSA-N 433.582 1.881 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)Cc1ccccc1 1359470558 AGWJXMFNQKINJJ-INIZCTEOSA-N 425.518 1.946 30 10 IDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359550915 SPTXLKVYXMRMDQ-ROUUACIJSA-N 435.532 1.836 30 10 IDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1360296055 XGOJJFLPCYCVEJ-UHFFFAOYSA-N 447.499 1.917 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C(=O)OC(C)(C)C)s1 1453389713 JANICDPCQWUDMT-AWEZNQCLSA-N 430.548 1.324 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cn(-c3ccc(OC)cc3)nn2)s1 1465821450 VWHSMXVJWFIWKA-UHFFFAOYSA-N 447.542 1.661 30 10 IDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)nn1 1470585037 ZJHJYEAESOXIAE-UHFFFAOYSA-N 446.577 1.978 30 10 IDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1472192902 YOPBNQVBPKMRKE-LAUBAEHRSA-N 449.529 1.621 30 10 IDEE CCOc1ccccc1C(=O)NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472617855 FGTGHLCORWIVPZ-UHFFFAOYSA-N 425.441 1.719 30 10 IDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1475844842 MRMSORWXDGSMBL-MRXNPFEDSA-N 425.507 1.002 30 10 IDEE C#C[C@@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1ccc(F)cc1 1478779641 FUWRVJQDPNKRNV-GOSISDBHSA-N 445.472 1.644 30 10 IDEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)n1 1492517811 GXIFCCMOHRODBV-IBGZPJMESA-N 436.564 1.987 30 10 IDEE CCO[C@@]1(c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1502694962 GWKCGQFKGSAMIT-PXNSSMCTSA-N 449.533 1.457 30 10 IDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1505324742 ORVSIDWVZUMFIE-OALUTQOASA-N 429.569 1.596 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)CC 1507540794 GJPCRUPORJHPRP-FQEVSTJZSA-N 437.592 1.579 30 10 IDEE C#CCN(c1nnc(COCC)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1507637622 LKUITGJOCBRUIP-MRXNPFEDSA-N 438.500 1.962 30 10 IDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1507690645 UQJQRTUCBGHMCZ-WRHNGFHOSA-N 434.587 1.567 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C(C)C)C(C)C)CC1 1507733969 PIONFIXZSKZJJP-UHFFFAOYSA-N 445.612 1.501 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1507773310 PPEPSGDBEJPMRJ-DNVCBOLYSA-N 442.607 1.386 30 10 IDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507782093 SMGPCTORNYHXIE-LRDDRELGSA-N 444.355 1.153 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1508088305 RORMDHRWYHEQTP-QUCCMNQESA-N 439.564 1.498 30 10 IDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC=C(C(F)(F)F)CC1 1508142342 BSXUCNDEPAFGMK-UHFFFAOYSA-N 447.483 1.700 30 10 IDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(S(C)(=O)=O)CC2)CCOC1 1509794001 XAVKACFRRPLZDD-KXBFYZLASA-N 425.555 1.634 30 10 IDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1509939148 JYKCMMJAVMUFAA-PWSUYJOCSA-N 449.313 1.762 30 10 IDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1510368640 DVJMDMDJNLXEJR-DLBZAZTESA-N 428.493 1.622 30 10 IDEE CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516809871 PJBUTCQTHCPYID-UHFFFAOYSA-N 441.517 1.253 30 10 IDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(-c3cccnc3)nn2)cc1 1525819369 NIIDFEYPNYQVDK-NKFKGCMQSA-N 425.474 1.727 30 10 IDEE C=CCN(C(=O)c1cnn(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1528606330 RRYPDEIQVFQJHK-CQSZACIVSA-N 425.308 1.845 30 10 IDEE C#CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539229355 BVVAZFURPMABMG-SFHVURJKSA-N 441.557 1.679 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1539468691 HLLXIWOHBPCEGI-QGZVFWFLSA-N 437.548 1.221 30 10 IDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1540080774 MYMAXZLSBQRJEZ-QZQOTICOSA-N 432.488 1.665 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540874703 OTVPYUVRCAASJL-IBGZPJMESA-N 440.548 1.772 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)C1 1541990803 NOGUEKZQCFBYNG-ABSDTBQOSA-N 437.566 1.506 30 10 IDEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1555121230 CDGUQBXRHNNLOT-GOSISDBHSA-N 438.513 1.892 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CCOCCCO)c1 1555986906 FBAUTCPLZNXCNM-FQEVSTJZSA-N 440.548 1.374 30 10 IDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)N3CCO[C@](C)(C#N)C3)cc2)CC1 1563911262 YWPCSJRSKDGTIO-HSZRJFAPSA-N 443.548 1.096 30 10 IDEE CO[C@H](CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CCOC1 1565053212 ZTEINHDDCKAZCS-IFXJQAMLSA-N 430.484 1.749 30 10 IDEE C=CCOC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C(=O)OC 1568154727 PZKNTOSUSSFPJB-OAHLLOKOSA-N 430.461 1.259 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CC1 1568911393 KOCDPQMCQQGDJW-OPAMFIHVSA-N 432.521 1.616 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)ccc1F 1570356044 XDSZDHXGKWEMID-DLBZAZTESA-N 431.489 1.631 30 10 IDEE C#CCC1(O)CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1588766113 QZQCBFODWAIGCE-IKGGRYGDSA-N 440.562 1.033 30 10 IDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C(C)C)C1 1588986183 ZFOXDXHYWMRNDK-LSDHHAIUSA-N 431.653 1.833 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1594807767 YYWRQTANWRMXCV-OALUTQOASA-N 432.569 1.371 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@](CO)(C(F)(F)F)C3)CC2)cc1 1595223995 CJCQZHRTKRORPJ-SFHVURJKSA-N 445.463 1.732 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1596782524 IZCJFZYZGMWWJF-DLBZAZTESA-N 426.525 1.511 30 10 IDEE Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1597372343 UIFOMNRWJFCNNE-SGTLLEGYSA-N 440.547 1.487 30 10 IDEE CCS(=O)(=O)NCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1607365183 NKDUBCVWWIYTLG-KRWDZBQOSA-N 436.534 1.448 30 10 IDEE C[C@@H](CN1CCOCC1)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1611620794 AAJYAZSYBQEIEW-HKUYNNGSSA-N 428.512 1.705 30 10 IDEE CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1617441332 AWWKVRZEFICWQP-YEVIJXJFSA-N 440.573 1.913 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COCCO1 1617868526 DPBACMFOANCFCT-SFHVURJKSA-N 433.472 1.849 30 10 IDEE C#CC[C@@H](CCOC)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1623654844 SJJFVUAWMYSDBD-KSFYIVLOSA-N 440.537 1.879 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 1624793789 PBRYKQOLLYCBSP-SFHVURJKSA-N 449.467 1.777 30 10 IDEE Cc1ccc(C(=O)Nc2nccc(Br)c2O)cc1S(=O)(=O)NCC#N 1631104691 AYHIBXNZWZVWME-UHFFFAOYSA-N 425.264 1.912 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 1633144034 KWQCGEAHNZWQTF-IBGZPJMESA-N 447.948 1.619 30 10 IDEE C[C@H](CC(=O)NCC[C@@H](O)COCc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1634573099 DNEBMHNCTSLZRR-SJLPKXTDSA-N 445.541 1.588 30 10 IDEE CN(C)C(=O)NCCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1635226347 DFLSGWUGZSZDOP-UHFFFAOYSA-N 429.502 1.289 30 10 IDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1636888529 FZNYOCOWAUXFIB-DHMKHTPVSA-N 443.566 1.876 30 10 IDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1639969198 VWDZYTNLZAAJCE-INIZCTEOSA-N 437.537 1.696 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n1 1639992133 PEGZELWPBDGXDS-GOSISDBHSA-N 447.536 1.007 30 10 IDEE O=C1NCC[C@@H]2CCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]12 1644399678 OGGQDDATHFIBBD-HNAYVOBHSA-N 432.546 1.413 30 10 IDEE C#CCN1CCC[C@@H](NC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1651801668 FLQYHAQNTDLYCW-GOSISDBHSA-N 449.573 1.510 30 10 IDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2)nc1 1674952232 ZJCFFWKLRZUSKD-LEWJYISDSA-N 435.532 1.835 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)N[C@@H]4CC[C@H](C#N)C4)C3)[C@@H]2C1 1683504421 TZMKFPIFJFMBGF-NNXHMXCWSA-N 433.509 1.903 30 10 IDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689980855 YHFMNYBDRZYGET-LSDHHAIUSA-N 439.563 1.134 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1689986300 MWKKRKVEOBHRTE-KRWDZBQOSA-N 438.513 1.419 30 10 IDEE C#CCN(c1nnc(CC(C)C)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1689992799 OWWSCWCUMKJVJU-RKOGDMNLSA-N 426.608 1.405 30 10 IDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689993842 MLECZFWUKVRWHG-FUHWJXTLSA-N 449.602 1.687 30 10 IDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1NC(=O)CC1(C)C 1690101320 WVVMYLOCMICYPE-INIZCTEOSA-N 428.493 1.007 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1690122555 VJRNHWNLCORTAI-SFTDATJTSA-N 437.592 1.903 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCCN2CCOCC2)CC1 1690137334 VJTZCSUONVYOFD-UHFFFAOYSA-N 430.597 1.654 30 10 IDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690451398 FWFRLVMPEVKLDP-HUUCEWRRSA-N 433.600 1.258 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H]1C(C)C 1690622381 OBIFAFOSFIZPOS-KURKYZTESA-N 426.583 1.880 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccc(OC)c2)CC1 1690674187 RTWABTWFDYKWPD-UHFFFAOYSA-N 447.543 1.901 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1690687076 YEXLYBUUGDVOAG-SFHVURJKSA-N 426.521 1.446 30 10 IDEE CC(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692302550 BODSMMKJSYBYDP-CQSZACIVSA-N 447.565 1.859 30 10 IDEE CC(C)NC(=O)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1692528283 ZQUAMFDLIRCNSY-LTDXQCTPSA-N 427.509 1.322 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1694423283 BRRYEDTXBSEANG-KRWDZBQOSA-N 439.520 1.494 30 10 IDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCOCC1 1694778036 BUDOWSOVUWLTLL-FXAWDEMLSA-N 437.548 1.500 30 10 IDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1695340147 DXFDYQKQFCLIRY-SFHVURJKSA-N 439.564 1.890 30 10 IDEE CS(=O)(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 1698301978 PKKYGNAILUIHLT-KRWDZBQOSA-N 445.545 1.779 30 10 IDEE CS(=O)(=O)CCOCCn1c(C2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1698309846 VRXXTNOYOVFFNY-LJQANCHMSA-N 445.545 1.666 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCn2cncn2)c1 1705508454 VXQFHXHHHJVPLR-UHFFFAOYSA-N 441.499 1.612 30 10 IDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)Cc2ccccc2C1 1705612222 CFWQVOBLCOWIPR-FQEVSTJZSA-N 441.601 1.739 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 1705642445 URMPZAREPQYKBK-UHFFFAOYSA-N 431.504 1.144 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCOC 1705674415 IORIRPYCWBHMJM-YLJYHZDGSA-N 439.582 1.420 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705894343 VUKBNQFVFFHPQQ-LEAZDLGRSA-N 432.569 1.177 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[C@H]21 1705904545 RLOHVEUICAWRLV-BBWFWOEESA-N 446.552 1.877 30 10 IDEE CC(C)CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1=O 1706510535 ZRHYLDRKSLKVEZ-MEUCICPISA-N 441.536 1.375 30 10 IDEE Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1707604577 WURAPYBTBBCJAU-KBNLPLALSA-N 425.468 1.969 30 10 IDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1710872864 BSGCQDPNPQFFCJ-UHFFFAOYSA-N 444.561 1.604 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCC1 1711049338 DCDBAGZCULOACC-UHFFFAOYSA-N 437.548 1.596 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1712104173 HIYNIRGDMYSFDI-UHFFFAOYSA-N 434.504 1.399 30 10 IDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1712687709 HCOJVTPFQJTPBY-LJQANCHMSA-N 447.561 1.619 30 10 IDEE C#CCCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722340480 ACXBBBJTRDZHCH-XXBNENTESA-N 445.564 1.560 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722397105 MZNPTAVJSCYRSP-PZJWPPBQSA-N 434.544 1.913 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1722423311 ZBIVLGBKQRWMPQ-BJLXPSRBSA-N 429.521 1.919 30 10 IDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCN(C)C(C)(C)C2)CC1 1722433774 CZJQDFGBIGLJLB-UHFFFAOYSA-N 425.581 1.628 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 1722440730 CSYYTZLNUTWUIN-UHFFFAOYSA-N 430.940 1.744 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2OCCC2(C)C)CC1 1722448846 ZRFAYLXBMIOWCC-RBUKOAKNSA-N 429.565 1.953 30 10 IDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1722460686 JZVKMUKOTYPNHE-UHFFFAOYSA-N 444.580 1.585 30 10 IDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722540825 HJJAGOPIGRAHFF-QGZVFWFLSA-N 449.987 1.400 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(OCCN2CCCC2)CC1 1722698477 ZZMCRNSMTXRZBJ-UHFFFAOYSA-N 439.564 1.724 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1722726050 XUABGAOEFMUYIL-OAHLLOKOSA-N 435.525 1.647 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1722739507 WIUYBVQNABDUOP-GPANFISMSA-N 447.602 1.715 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1723680228 ZTDCUTYDGCTPRQ-YADHBBJMSA-N 442.495 1.908 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CCN1CCOC 1727800950 HZHYGWLSPOYSSC-IBGZPJMESA-N 425.537 1.452 30 10 IDEE COC(OC)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1729906447 QVWPAVQMJSMGLL-DLBZAZTESA-N 426.477 1.298 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCN(CC)CC1 1740537144 BDBXAWYEBIDAGT-REWPJTCUSA-N 432.613 1.804 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC(=O)N(C)C)c1 1740563750 XFGCBUKQKPOUEU-SFHVURJKSA-N 438.532 1.707 30 10 IDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740573924 DJMMWXNYUSBBNL-NRFANRHFSA-N 435.576 1.810 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740637995 JNBXKVFZGZGSRC-OAQYLSRUSA-N 446.555 1.594 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740679095 ZCFSZJCRZLOKFO-MRXNPFEDSA-N 434.541 1.513 30 10 IDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740712718 RHPBLUYHZVWTPH-MRXNPFEDSA-N 437.591 1.979 30 10 IDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740789380 KJBHVJBOINZYEG-UHFFFAOYSA-N 442.520 1.366 30 10 IDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1740791692 AJIKYONUOADUJT-SFHVURJKSA-N 439.582 1.379 30 10 IDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1741003621 YQXYAOKUDXEALF-CVEARBPZSA-N 429.612 1.767 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccccc2)CCOC1 1741730607 CEWGQGPXGKYWGR-UEVCKROQSA-N 441.532 1.955 30 10 IDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)c1=O 1746358395 FUUMMUKNEDXSGE-BGYRXZFFSA-N 434.500 1.897 30 10 IDEE CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1747185501 GIBBDUUBDHBBKP-OAHLLOKOSA-N 427.509 1.117 30 10 IDEE CN(C)C(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 1747538843 BPLNCNQZAXWTNF-GFCCVEGCSA-N 437.273 1.664 30 10 IDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1748790774 MCLTXEAGIRZLOX-ROUUACIJSA-N 447.561 1.225 30 10 IDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748793998 UQHBWWIUZHTLAC-UHFFFAOYSA-N 441.561 1.958 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1748825401 WANDDQKYZPIROW-UHFFFAOYSA-N 444.539 1.758 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N1CCOCC1 1748900244 AOLPMNZWNHRQPY-UHFFFAOYSA-N 435.528 1.796 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1748957098 USIYYZOHQWVHEZ-MRXNPFEDSA-N 448.545 1.483 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1748971608 WVJIRILFTUZEPQ-FQEVSTJZSA-N 440.523 1.796 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)COC)CC1 1749114722 GHIPJTJVSDJZCZ-LPHOPBHVSA-N 448.568 1.129 30 10 IDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749115558 SLMBXUDHXGWXJJ-YEWWUXTCSA-N 440.342 1.770 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749660867 VEHADSNWSSOLPS-OAHLLOKOSA-N 442.545 1.665 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 1749666381 LBYRQPFDMAKMIT-YESZJQIVSA-N 430.553 1.705 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1749676212 IWXHURGXFITMJO-OAQYLSRUSA-N 448.527 1.850 30 10 IDEE CC(C)N(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1750886905 YRPZDPGEZXWYQD-IEBWSBKVSA-N 439.568 1.847 30 10 IDEE CC(C)NC(=O)Cn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750995137 OZXKVAHQUZLOBF-UHFFFAOYSA-N 437.529 1.990 30 10 IDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1751399841 CDLDORWQTRKKLX-VXKWHMMOSA-N 428.512 1.983 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)OC)c1 1760126694 GLIMPTRZZIFIBV-UHFFFAOYSA-N 438.532 1.995 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1F 1760205565 DXMLCRVVTRSMBI-DLBZAZTESA-N 430.505 1.860 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)CC1 1760254559 BDHQTSVIOINSAG-UHFFFAOYSA-N 441.337 1.640 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1760317756 AHFAOIRTBKVCIJ-NQIIRXRSSA-N 439.564 1.579 30 10 IDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1760510833 QKUJTBCSZGYIAW-IRXDYDNUSA-N 427.571 1.583 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(O)cc3C2)n1Cc1ccc(C#N)o1 1761489099 UUWVLVUTSGUIHN-ZDUSSCGKSA-N 442.501 1.670 30 10 IDEE Cc1cc(C)n(Cc2nnc(N(C)CCCS(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1762423310 RHWQHABLHHSVEL-UHFFFAOYSA-N 431.522 1.524 30 10 IDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1ccc(C#N)o1 1764073484 AOBYTMMIIZQZDA-ZDUSSCGKSA-N 436.538 1.579 30 10 IDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1768163309 IDLJKZGIITVRNE-QGZVFWFLSA-N 425.493 1.321 30 10 IDEE Cc1nn2c(C)c(C(=O)N3CCN(Cc4nncn4C4CCCC4)CC3)cnc2c1C#N 1851625238 NMHSPELFYDTYNY-UHFFFAOYSA-N 433.520 1.882 30 10 IDEE CS(=O)(=O)N1C[C@@H](C(=O)NCC#CCN2CCCCCC2)Oc2ccc(Cl)cc21 1852656881 NKFGPKNELDFKNP-IBGZPJMESA-N 439.965 1.863 30 10 IDEE COc1cccc(C#N)c1OCC(=O)O[C@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1853071139 UAHCLKNOBPDWLK-OALUTQOASA-N 449.463 1.501 30 10 IDEE N#Cc1cccc(C(=O)Nc2nc(N(CCO)CCO)nn2-c2ccc(Cl)cc2)c1 1869959673 YXVVXWPCKMLFSC-UHFFFAOYSA-N 426.864 1.836 30 10 IDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC2CCCCC2)cn1CCOCCO 1870493888 INDDDNVKRYFHFY-UHFFFAOYSA-N 447.576 1.859 30 10 IDEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN1CCN(CCO)CC1 1870770983 ITQXDQRVNAGGBV-UHFFFAOYSA-N 427.545 1.910 30 10 IDEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1887470570 DFONCBDKVFHODM-SJKOYZFVSA-N 441.465 1.894 30 10 IDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1890484320 LNYIXZBFZUEWCN-UHFFFAOYSA-N 447.601 1.700 30 10 IDEE C[C@H](C#CC(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902018762 ZGICSNBZUXTTKE-QVKFZJNVSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)NC1CC(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2248401160 GBHUHOKYWMMKSN-UHFFFAOYSA-N 438.359 1.891 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2248401174 GDNUZZXIPOEORG-WCQYABFASA-N 441.359 1.333 30 10 IDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2248401225 GSFJJEMNLCWGDF-DOMZBBRYSA-N 440.371 1.938 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CCO1 2255819290 YSAVTJVPYBEEQL-OAHLLOKOSA-N 436.314 1.945 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2256660755 IKYDGXZJFJSYFK-ZIAGYGMSSA-N 433.314 1.859 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)n1 2267527084 BFKCFEUQZNANGJ-ZIAGYGMSSA-N 446.357 1.797 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3CC[C@@H]32)n1 2267549536 MXAZCUVGSCNRKU-UONOGXRCSA-N 447.345 1.338 30 10 IDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)OC1(C)C 2282311193 FGLVEVIVZKBQPS-UHFFFAOYSA-N 427.303 1.653 30 10 IDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](CCF)C(=O)O)cc2Cl)OC1(C)C 2284415386 NPFRCAQEXLUKDZ-VIFPVBQESA-N 427.712 1.792 30 10 IDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2317605964 QIOAULXFRZOUAW-AWEZNQCLSA-N 435.330 1.650 30 10 IDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 2320556777 ZVYABSLZYVRESN-KGLIPLIRSA-N 438.309 1.738 30 10 IDEE Cc1cc(CN2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2343690599 OESQAPRNCUWRNM-UHFFFAOYSA-N 445.369 1.859 30 10 IDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@H](O)c2cc(Br)c(Br)o2)CC1 2367825275 PDHWBWWNTCPGBK-SCZZXKLOSA-N 427.114 1.746 30 10 IDEE CC(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9948837 BSMGYGMBEWAEIA-UHFFFAOYSA-N 447.517 1.674 30 10 IDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OCC)cc3)n2N)cn1 59830059 UVUWJORYNIBPGR-UFFVCSGVSA-N 441.521 1.950 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 107920519 CHMOISCVNWEUTP-FQEVSTJZSA-N 426.561 1.602 30 10 IDEE COc1cccc(CN2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254873564 COWITFFQWCTXCF-GJZGRUSLSA-N 426.516 1.547 30 10 IDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 428013066 WUTKXQOIGQVOTQ-YMPPPQHUSA-N 427.526 1.117 30 10 IDEE C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cn2)C[C@@H](C)O1 443091597 FEPIYNVLRFYOSD-ZIAGYGMSSA-N 431.474 1.954 30 10 IDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCSC[C@H]2CCO)CC1 470224523 SMEUCOVDCIPHCO-OAHLLOKOSA-N 431.518 1.255 30 10 IDEE N#Cc1ccc(OC2CCN(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 474520870 SLEQRVCOIOKXEG-IDPBPBMLSA-N 434.496 1.918 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 505386433 AYFQCSQLQMBGET-KRWDZBQOSA-N 427.549 1.800 30 10 IDEE CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 510362423 HHTIVBJKSGPROA-UHFFFAOYSA-N 425.454 1.527 30 10 IDEE N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)nc1 510970750 TUSOKLJBQNOWLS-KVZIAJEVSA-N 427.505 1.722 30 10 IDEE COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccc(F)cc1 514492568 LEJGDGOEAMDYID-UHFFFAOYSA-N 444.513 1.069 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518718975 FOLOIMBLUQPKKO-UHFFFAOYSA-N 443.569 1.601 30 10 IDEE CNCCCc1[nH]nc(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)c1C#N 543026154 JYUYNBWDDIGIHJ-UHFFFAOYSA-N 433.266 1.779 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)n1 544832856 HZNIIKBTWXBWBX-UHFFFAOYSA-N 439.541 1.703 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2ncc(Br)cc2Br)CC1 546764076 CRHXODXYRTWRAJ-UHFFFAOYSA-N 446.143 1.667 30 10 IDEE COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)Cn1cnc(C#N)n1 550796577 QFABDDRIBDSSQT-CYBMUJFWSA-N 431.250 1.294 30 10 IDEE C=CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 569741501 OOXJUPZGAOIYLV-INIZCTEOSA-N 440.566 1.612 30 10 IDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@H]1CCCO1 603798251 KIQIRHPWPPURRB-CYBMUJFWSA-N 449.935 1.909 30 10 IDEE C[S@@](=O)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 609816422 MTJQFVJXSKFYFD-MUUNZHRXSA-N 432.527 1.834 30 10 IDEE N#Cc1cc(CN2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)ccn1 610991408 CAMYQGHQARDLHW-UHFFFAOYSA-N 447.904 1.444 30 10 IDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669810674 VYRZSBQMAKGAHT-VQIMIIECSA-N 431.585 1.371 30 10 IDEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccccc2F)n1)[C@@H]1CCS(=O)(=O)C1 729334737 UQVALUNYFFIEFO-CQSZACIVSA-N 435.502 1.726 30 10 IDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OC(F)(F)O2 730138369 LQOPTTJCKATUSC-OAHLLOKOSA-N 438.456 1.641 30 10 IDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 733316009 HRPKCIXNVIKNOB-UHFFFAOYSA-N 434.440 1.424 30 10 IDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 747143665 NQGYPPYSBIYGJQ-HNNXBMFYSA-N 443.481 1.793 30 10 IDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 751921996 KYXXVHIHFJKAKG-DOMZBBRYSA-N 439.969 1.474 30 10 IDEE C[C@@H](CC(=O)OCc1cc(-c2cnn(C)c2)no1)/N=C1/NS(=O)(=O)c2ccccc21 769118846 UVWZGRQIUUVILM-LBPRGKRZSA-N 429.458 1.636 30 10 IDEE C#CCN(C(=O)NCCC(=O)Nc1cc(C)c(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 774234362 HLQHWVYNIOJMKW-CQSZACIVSA-N 441.937 1.818 30 10 IDEE C#CCN(C(=O)N[C@@H](c1ccc(C(=O)OC)cc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 776018743 DHGRHLFAPJFTTR-GJZGRUSLSA-N 432.420 1.909 30 10 IDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2nnn(C)n2)cc1C 782805603 FTAXNXUSGQTSPL-INIZCTEOSA-N 444.565 1.027 30 10 IDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H]2CCOC2)cn1 784127642 YWWBEVZNJCQMPA-RDJZCZTQSA-N 449.577 1.516 30 10 IDEE CCC(=O)N[C@@H](CCSC)C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790838062 DKUZMNDUDLZCGN-ZDUSSCGKSA-N 448.364 1.774 30 10 IDEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)NC3(C#N)CCCCC3)CC(=O)N2C(C)(C)C)cn1 796418273 ONUHKRITZGYCBA-VQIMIIECSA-N 429.521 1.994 30 10 IDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H]2CCCO2)CC1 802692370 LSXSWNDTHSDHNP-KRWDZBQOSA-N 443.577 1.172 30 10 IDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCc1cccnc1C#N 813163246 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HIHHADLWMLPKJY-UHFFFAOYSA-N 432.488 1.976 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286457802 WOMBEEKVUYXVID-UGKGYDQZSA-N 446.573 1.456 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)COCC)CC1 1286470207 UYFAPSWDVDWJRU-UHFFFAOYSA-N 425.537 1.743 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCOCC1 1286530051 FDRYAEBWXYTYAB-QTDGGUCWSA-N 431.581 1.963 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1286816598 HKSUZIVBRKRMBO-LJQANCHMSA-N 438.642 1.607 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)s1 1292143045 ZNIPOPRSJXLZEP-CABCVRRESA-N 443.591 1.145 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1295175495 ZQPOHIUMDJXWKU-RTBURBONSA-N 445.545 1.636 30 10 IDEE CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccccc1 1298713498 FHRNSGZLAQAKHA-MOPGFXCFSA-N 444.561 1.041 30 10 IDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1299262167 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GJQIGKQBUNBJJD-QGZVFWFLSA-N 426.521 1.419 30 10 IDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(C(C)(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@@H]21 1302383780 JWUILZGQGGBHSU-JZMRTZEVSA-N 428.537 1.963 30 10 IDEE CC(F)(F)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1303785016 CFLJIEIZWFQYKP-HNNXBMFYSA-N 430.463 1.868 30 10 IDEE C#CC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2CC)C1 1304595994 HVMHATRRKRBJTQ-UHFFFAOYSA-N 432.546 1.226 30 10 IDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(C)(C)O)c2ccccc2c1=O 1313964203 APJPSKDZNZJCMB-OAHLLOKOSA-N 437.504 1.565 30 10 IDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)C1 1314001214 FSTFKWLCHBNOBU-ATZDWAIDSA-N 444.561 1.760 30 10 IDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1358904576 HBGLHFCQJCREED-MRXNPFEDSA-N 436.582 1.141 30 10 IDEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358907128 DLKXAKGMEUUOTJ-UHFFFAOYSA-N 426.521 1.823 30 10 IDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(NC(=O)COC)CC1 1358922806 RPHRXTBLPKYPNC-UHFFFAOYSA-N 426.477 1.998 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCNC(=O)c1cc[nH]n1 1358997282 MFZZPOCVLBYFDR-UHFFFAOYSA-N 431.500 1.782 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)Oc2ccccc2F)CC1 1359034896 FXLOCHVXDWTIJN-MJGOQNOKSA-N 440.523 1.981 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1360038150 BXGHQTMFCCFFKK-BZSNNMDCSA-N 438.598 1.133 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3noc(CC)n3)CC2)s1 1443452994 RNLSQOUILNHVFE-UHFFFAOYSA-N 439.563 1.045 30 10 IDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)OCC 1454716941 YTBPUPBEKWEOJE-DOTOQJQBSA-N 444.937 1.948 30 10 IDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#C[C@@H]2CCCCO2)o1 1457032281 RTYVSPWDILRSDN-HOTGVXAUSA-N 438.502 1.298 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)CC1 1460748898 HIPPOIDSWURDMS-SFYKDHMMSA-N 433.597 1.868 30 10 IDEE C[C@@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1466608569 BMZIZWZVEJYHCQ-LPHOPBHVSA-N 442.516 1.926 30 10 IDEE C=CC1(CC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1468404601 FOQOPABFLGZDKP-UHFFFAOYSA-N 435.568 1.069 30 10 IDEE CCOC(=O)CON=C(C(=O)N[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2)c1cc[nH]n1 1471723332 CTVGMGJWUTVPGJ-QVKFZJNVSA-N 449.508 1.742 30 10 IDEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)N1CC(F)(F)F 1472251793 JRUKWQCTYGIEAL-MCIONIFRSA-N 446.495 1.987 30 10 IDEE N#Cc1c(F)cccc1N1CCN(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 1476735198 AAQUQOPVWFJIHC-UHFFFAOYSA-N 435.506 1.979 30 10 IDEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCOCC1 1477625820 VEFYKPRPXGQCNN-UYAOXDASSA-N 435.546 1.372 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1501566891 UBOBTQZAQKIPSK-UWJYYQICSA-N 442.545 1.308 30 10 IDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1502639203 UMJQEVKVPIJFSZ-MZKRTTBSSA-N 441.532 1.978 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1505072660 LPSRVWIHDQMRIS-MPGHIAIKSA-N 441.529 1.411 30 10 IDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C1OCCO1 1507673598 XHKNNYCCVILHPI-UHFFFAOYSA-N 433.512 1.957 30 10 IDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507713302 FBQZEHBVIVXYEC-OALUTQOASA-N 446.596 1.374 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CC1 1507735248 PMDGYNSTGIAMOB-UHFFFAOYSA-N 442.527 1.873 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C)CCOCC2)CC1 1507739014 KSCOJBYRUAOTSP-LJQANCHMSA-N 429.565 1.955 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1507790608 BDCUJQUIHRJCTF-IEBWSBKVSA-N 440.552 1.514 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1507800066 UAVXATPNWZUOAB-ZJOUEHCJSA-N 446.596 1.411 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1507803816 HCGYVEIPLCLCJB-QEOTZNIISA-N 427.571 1.483 30 10 IDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCS(=O)(=O)CC2)CC1 1507895915 FAILSMAIQKKIIP-AWEZNQCLSA-N 445.611 1.116 30 10 IDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1508018370 CZNDATIASKSXSN-JKSUJKDBSA-N 428.580 1.183 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1 1508074923 NWLRLXUTHHCDRX-INIZCTEOSA-N 444.511 1.918 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(O)(C(F)(F)F)CC1 1508138002 USERMONNFAZARC-UHFFFAOYSA-N 433.456 1.768 30 10 IDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)N1CCOCC1 1511967246 ATRVQJSLLJGTFQ-QGZVFWFLSA-N 437.548 1.594 30 10 IDEE CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1515449831 ZCLVHGMDBRMYBW-MPGHIAIKSA-N 449.533 1.528 30 10 IDEE CCOC1CC(O)(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)C1 1516390400 BQGNTSSLUJDTTC-FPPRHVDESA-N 447.561 1.874 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1517302313 KFBCNIWNGUOIHR-FQEVSTJZSA-N 433.534 1.493 30 10 IDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1 1517352028 BZDBVLYUQOCSID-UHFFFAOYSA-N 432.550 1.305 30 10 IDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1=O 1517406052 LHDNBZYFCYAZDP-XMMPIXPASA-N 449.559 1.990 30 10 IDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1(C)C 1518605769 RCGBSSOIQVLARI-IBGZPJMESA-N 436.520 1.852 30 10 IDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1533048511 IADKYWIILZGEMI-INIZCTEOSA-N 443.953 1.652 30 10 IDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCCCCNC(=O)CC3)C2=O)cc1 1534727989 BEZUWMVXXWDPIM-SFHVURJKSA-N 425.489 1.672 30 10 IDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCS(=O)(=O)CC 1539177122 YXJUCEYBGUKAOT-UHFFFAOYSA-N 439.582 1.897 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1539230134 KNOVKBKFYXIHPV-ICSRJNTNSA-N 430.574 1.973 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539462335 SYVWVOAIRBVXDZ-LJQANCHMSA-N 443.573 1.355 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2([S@@](C)=O)CC2)CC1 1539480949 HDWOSQZXMDAKKM-BJLXPSRBSA-N 433.578 1.397 30 10 IDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539643820 XXOBTXPNIVCENU-OXQOHEQNSA-N 429.525 1.383 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)C1 1539647444 XFBXYEGAJMWDGI-KDOFPFPSSA-N 430.534 1.187 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540058167 ALOVOSBLOPQVBD-FQEVSTJZSA-N 436.534 1.524 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCO[C@@H](C#N)C1 1540862762 IRGSSQGHQBVDDE-LPHOPBHVSA-N 440.504 1.848 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1CSC 1540897591 NGEOOQZXITZXKQ-HNNXBMFYSA-N 427.596 1.447 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CCC(=O)NC 1540899623 VMZIKVLICNKLKG-UHFFFAOYSA-N 431.518 1.864 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(CC(F)F)CC1 1540905296 VGSFRDXMNCCXIE-UHFFFAOYSA-N 445.561 1.918 30 10 IDEE CC(C)Cc1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1541436410 UEWOBLPVKWVQGX-IWUFKXHHSA-N 441.536 1.250 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541800500 AZYFDJLKGUISAV-LSDHHAIUSA-N 446.533 1.694 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1541801704 BDUPLMCXQCXJOA-YJBOKZPZSA-N 441.511 1.992 30 10 IDEE COc1c(F)cc(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1S(N)(=O)=O 1557540268 UUESDIIYOIMJKR-UHFFFAOYSA-N 447.488 1.718 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN(C)Cc3nnc4n3CCN(C)C4=O)c2C#N)C1 1560136753 CLVUFOFLQUEBGO-ZDUSSCGKSA-N 441.561 1.882 30 10 IDEE C=CCCc1ccc(S(=O)(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1 1561548119 ZAMIIHSYVFVVMC-UHFFFAOYSA-N 429.560 1.936 30 10 IDEE C#CC[C@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1562081807 HUEBXPMCYZWIEE-MRXNPFEDSA-N 439.534 1.656 30 10 IDEE N#Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3ccc(O)cc3)CC2=O)cc1Cl 1566369555 KSKMKMIGEQCXMT-OAHLLOKOSA-N 426.860 1.816 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)ccc1F 1585440518 HRZIJEYRDSGVOD-DAXOMENPSA-N 425.482 1.639 30 10 IDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1587861329 JZTANXMDPWNLPX-ROUUACIJSA-N 447.565 1.099 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C 1589070591 VCKFKLKJRSUGSF-XHSDSOJGSA-N 427.596 1.212 30 10 IDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1593747409 VTLIDJIRDYTWQD-HOTGVXAUSA-N 435.554 1.243 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1594807300 KSZJHIYIWGMVEM-GJZGRUSLSA-N 430.475 1.895 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1595476364 KHUBPYWZSVMPGX-LZLYRXPVSA-N 446.577 1.573 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1595798429 PIYUWNUFQPGIAD-JYJNAYRXSA-N 448.611 1.378 30 10 IDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607489213 NZBPHGIIORZUKH-LIRRHRJNSA-N 435.484 1.203 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1611287558 WVPUYLCVNVXMRI-KRWDZBQOSA-N 426.525 1.776 30 10 IDEE C[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1612798847 YHNYBXGYTFKJIG-DNTCVELPSA-N 427.509 1.163 30 10 IDEE CCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613980138 AATUQYXCBYKXPL-PFONDFGASA-N 428.415 1.261 30 10 IDEE Cc1ccc(C(=O)NC[C@H](CO)Cc2ccncc2Cl)cc1S(=O)(=O)NCC#N 1618612280 KLTDISDCDOVLBZ-CQSZACIVSA-N 436.921 1.426 30 10 IDEE CNS(=O)(=O)CCn1c(-c2ccccc2Br)nnc1N(C)C[C@H](C)C#N 1618842417 SHHQOCVVHGUWBH-GFCCVEGCSA-N 441.355 1.853 30 10 IDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1620357982 XANHPHQNJOXYKD-GJZGRUSLSA-N 429.493 1.734 30 10 IDEE C#CCOc1ccc(F)cc1NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1623169440 VYNXTHGOJNYTBP-KRWDZBQOSA-N 426.514 1.914 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H](C(F)(F)F)CN2C(=O)OC(C)(C)C)CC1 1623498879 HOLQGDUHZVAMGX-GJZGRUSLSA-N 446.470 1.068 30 10 IDEE N#C[C@]12CN(C(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1627136600 LUEBLZFUWBKPLN-BBTUJRGHSA-N 431.514 1.574 30 10 IDEE C=CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)[C@H]1CCS(=O)(=O)C1 1627334678 KAANRDAIJIONDY-QWHCGFSZSA-N 425.498 1.920 30 10 IDEE C#CC[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1628849823 PFYUOIOZVLEHIR-OIISXLGYSA-N 428.348 1.543 30 10 IDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 1628920132 ICNYAYZUKBDBPA-GOSISDBHSA-N 448.545 1.496 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)s1 1633957910 DYKMJPFHJGYLBU-CALCHBBNSA-N 432.589 1.038 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCCc3ccccc32)c1 1636519638 NSKHSZNXUZXZAB-UHFFFAOYSA-N 425.510 1.697 30 10 IDEE C=CC1(CC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CN(C(=O)OC(C)(C)C)C1 1637002350 WZKHETSJVKYBLD-CQSZACIVSA-N 444.575 1.812 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1F 1639168985 RMGUIRFRKOMPQC-SJLPKXTDSA-N 426.510 1.730 30 10 IDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC2=C(CCC(=O)N2)C1 1640383621 YMWKYCOBEWAJHF-QGZVFWFLSA-N 430.530 1.680 30 10 IDEE Cc1ccc(S(=O)(=O)C2(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCCC2)cc1 1640636304 AUBORDXHADZHGF-UHFFFAOYSA-N 442.497 1.299 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C(=O)OC)c(C)n2C)s1 1643573148 UASJCXYPFFHUJI-UHFFFAOYSA-N 425.532 1.505 30 10 IDEE C=CC[C@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(=O)OCC 1661345312 LFBWHMWIQOCQPC-JTQLQIEISA-N 433.284 1.287 30 10 IDEE CC(C)(CCC#N)CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1673340810 YWPQEWFZRLVUPM-CABCVRRESA-N 428.555 1.744 30 10 IDEE CC(C)[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cnn(C)c1 1685503068 HFTOKGFBGBUUMO-IBGZPJMESA-N 430.534 1.705 30 10 IDEE C#C[C@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)[C@@H]1CCCO1 1686184480 JLIZMCXQYRHPNQ-VXKWHMMOSA-N 426.561 1.837 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1690313169 MMMZPGDWFHECSU-QGZVFWFLSA-N 439.582 1.078 30 10 IDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 1690319600 SCXWZLHGGFKPMO-KRWDZBQOSA-N 446.577 1.967 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690433506 XHWDIHUAGRLVSE-OAGGEKHMSA-N 437.566 1.717 30 10 IDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1690508825 QKFCLXSRTOQWHB-AEFFLSMTSA-N 436.534 1.944 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690674007 LSFFXBWFKWBOKD-RBUKOAKNSA-N 444.605 1.780 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C(C)(C)C1 1690714999 AQBCQYFUVKQLAA-CABCVRRESA-N 447.627 1.362 30 10 IDEE CCOCc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696286595 ILSTXVVEJKUPGZ-QBEKEKFNSA-N 444.536 1.594 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CC=CCO2)c1 1705504384 UTQSAOPJZIWIBL-LJQANCHMSA-N 436.516 1.818 30 10 IDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705533397 XEWWZEPLZDHUQD-LEWJYISDSA-N 430.597 1.427 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705567087 TXHILVVNKLXOKD-OTWHNJEPSA-N 437.610 1.529 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C(=O)OC)CC1 1705572342 YCTAEUAUNGCFSR-UHFFFAOYSA-N 428.537 1.748 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705843396 DMOCPYPZVZDLGI-UXHICEINSA-N 445.589 1.417 30 10 IDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1=O 1712468774 HYUJDYJLIWUDOL-POAQFYNOSA-N 438.532 1.519 30 10 IDEE COCCO[C@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1712546692 KALRTYIFPOWVFS-PBHICJAKSA-N 437.522 1.528 30 10 IDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Br)n2)CCO1 1712883336 OLOKRZDEUAQTQY-AWEZNQCLSA-N 446.309 1.449 30 10 IDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1722300643 FRDFVYRLWJWIST-SFHVURJKSA-N 447.630 1.900 30 10 IDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H](C(F)F)N1CCOCC1 1722352541 HTYVVBQRAIXNGA-OAHLLOKOSA-N 436.463 1.431 30 10 IDEE C#CCN(c1nnc(CC2CC2)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1722371804 LRKWWWSXCYEREI-IBGZPJMESA-N 447.605 1.648 30 10 IDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722421595 MQOKSSUWKSUJHR-YVSFHVDLSA-N 427.571 1.178 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC=C 1722422469 SBUYFSWNIRSNQE-KRWDZBQOSA-N 445.520 1.261 30 10 IDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)[C@@H]1CC 1722549965 CRFMYSICDHJRDR-AWEZNQCLSA-N 437.957 1.706 30 10 IDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)OC)CC1 1722703171 WRJZASDDLQTALA-UHFFFAOYSA-N 437.504 1.472 30 10 IDEE C=CCNC(=O)Cn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703478 AJVUJJOSTSLMBD-XMSQKQJNSA-N 432.569 1.295 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CCOC2)C1 1722717423 JZERQFSMDNWPMX-HTAPYJJXSA-N 430.505 1.895 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722725079 DWPCDQUCOVVMPP-KRWDZBQOSA-N 429.550 1.061 30 10 IDEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722740146 LCCSCZOFNRYFOL-UHFFFAOYSA-N 448.637 1.836 30 10 IDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)cc1 1724437273 BOFCXIQIFULVRW-GOSISDBHSA-N 436.472 1.917 30 10 IDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740600334 LPOOYXYAJCJVFG-XXBNENTESA-N 443.548 1.975 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(N(C)C)CCC1 1740602374 KMQKYSKAYXQFCN-UHFFFAOYSA-N 430.578 1.749 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1740627897 TXHILVVNKLXOKD-QYZOEREBSA-N 437.610 1.529 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1740694665 QCGACPXWBJWMIG-IRXDYDNUSA-N 445.568 1.145 30 10 IDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1740782255 JBEWTCIZNRDJDK-HNNXBMFYSA-N 445.611 1.007 30 10 IDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC)C1CC1 1740910113 JSVMKHHAGFRBTH-OAHLLOKOSA-N 429.612 1.907 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCS(=O)(=O)NC 1740914993 QHBMXQVVZUDJIW-UHFFFAOYSA-N 437.529 1.954 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1740964981 BVOVQJLJPLUZGD-KZNAEPCWSA-N 432.569 1.953 30 10 IDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1747660311 KMHFUWKAYDDASE-GOSISDBHSA-N 443.529 1.699 30 10 IDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1748784402 MIBJYCXKGWNGKQ-WAIKUNEKSA-N 436.516 1.845 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1748808210 BJAWXCCITFUFMD-SFHVURJKSA-N 443.548 1.973 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1748892195 KZQIGNDGNXQHRN-NRFANRHFSA-N 439.585 1.753 30 10 IDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1748972821 RLRPIMZRFARCIH-UHFFFAOYSA-N 426.540 1.829 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(C)c2)CC1 1749010603 TYKWPFCZEPAXPX-LJQANCHMSA-N 438.507 1.691 30 10 IDEE C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC(N)=O 1749109080 BWWMADXAPRHJCW-LLVKDONJSA-N 441.355 1.878 30 10 IDEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N(C)C)C1CC1 1749516191 SURSWGQRURDIRZ-UHFFFAOYSA-N 443.533 1.640 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1749700556 LAJQJKZNGVNFPS-LJQANCHMSA-N 442.545 1.634 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)C(=O)C1 1749738509 OCWJGRRETMVWRA-UHFFFAOYSA-N 435.575 1.342 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H](C(F)F)N2CCOCC2)n1 1751623163 GCLCAPKUWKDZKW-WMZOPIPTSA-N 447.490 1.733 30 10 IDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)n1 1751623244 IJFGITOCHYZXNF-RTBURBONSA-N 425.537 1.614 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCOC4)n3C[C@H](C)N(C)C)CC2)c1C#N 1751827511 DZZQTHFWESVGGD-WMZOPIPTSA-N 441.584 1.362 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1760105329 NVWPBGXYHMESNP-WMZOPIPTSA-N 433.520 1.637 30 10 IDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760129633 UDWPDYYPABPAHU-LJQANCHMSA-N 443.596 1.353 30 10 IDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760136776 BSSLPTGMTCDPAW-KRWDZBQOSA-N 445.545 1.539 30 10 IDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1760151827 PUJMKXRDMNBVKM-SFHVURJKSA-N 438.580 1.661 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1N1CCOCC1 1760192792 NTVBVUSMCQSUPN-UHFFFAOYSA-N 434.544 1.682 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760201749 ZJJPCSTXLXYZQA-VQTJNVASSA-N 438.557 1.617 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CN(CC(C)C)CCO1 1760458666 PNZFSLPHNGXOOW-FQEVSTJZSA-N 437.552 1.900 30 10 IDEE C=CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760512029 YEMJMQXDZLXPTJ-HNAYVOBHSA-N 429.594 1.809 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(CC(=O)N(C)C)CC1 1760520140 DFRSOFOVMQNQJT-UHFFFAOYSA-N 440.548 1.951 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760525228 YFZXZCQEUUKVEI-FUHWJXTLSA-N 429.521 1.420 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760527569 ATUZPMOBMKMJTO-HOTGVXAUSA-N 431.424 1.413 30 10 IDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760562822 WZSYSBGISLCGLZ-MRXNPFEDSA-N 427.534 1.732 30 10 IDEE CCCN1CCC[C@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1764491005 WLYGRMVIYQICDT-IPJJNNNSSA-N 432.569 1.922 30 10 IDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)ccc1OCCO 1769853502 CYFIOEHMVGCIKI-QGZVFWFLSA-N 440.504 1.397 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CN(C)C)c1 1771222766 MCAUWRCZKHLRSD-PXNSSMCTSA-N 428.537 1.841 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1771295228 IXMVVCHCCFWQNZ-RYLXDESZSA-N 436.532 1.412 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2F)CC1 1772567134 OTZMBZIDZCLWAS-QGZVFWFLSA-N 429.500 1.683 30 10 IDEE C=C[C@@H]1CCCCN1[C@H]1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1854535402 CDTCJSNXXKXPEK-WBVHZDCISA-N 431.514 1.389 30 10 IDEE CN(C[C@@H]1CC(=O)N(C(=O)c2cncc(Cl)c2)C1)C1CN(c2nccnc2C#N)C1 1856261932 FMZLBFPGRLKQPM-ZDUSSCGKSA-N 425.880 1.206 30 10 IDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)C(C)C)C3(CCCCC3)C2=O)CC1=O 1856471359 OMESIRPEBDAPLY-MRXNPFEDSA-N 425.551 1.133 30 10 IDEE CN(C(=O)c1nc(C(=O)Nc2ccccc2C#N)c2ccccn12)[C@@H]1CCS(=O)(=O)C1 1858243040 NABLCAPJTAXOGB-OAHLLOKOSA-N 437.481 1.717 30 10 IDEE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)nn1C 1867102467 JZFOGEFYHAYESD-SFHVURJKSA-N 437.431 1.836 30 10 IDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597117 PEFFYTVBDAKFKX-UHFFFAOYSA-N 446.552 1.954 30 10 IDEE C[C@H]1CN(C(=O)Cc2nonc2OCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)O1 1872636923 LBDLPIWQLKAZSC-RYUDHWBXSA-N 445.501 1.687 30 10 IDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CN(C(=O)OC(C)(C)C)C1 1993664538 BVONUBKJUCIOBK-OAHLLOKOSA-N 425.526 1.639 30 10 IDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2060635417 LSEJUYFBSBKZCO-AWEZNQCLSA-N 435.334 1.169 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2085300237 IWTIPMUBDZXUFX-HNNXBMFYSA-N 437.346 1.935 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2136337105 AZQZKXKSODLNQF-YESZJQIVSA-N 448.325 1.265 30 10 IDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390532 XGIVGRJWIMWZPX-NSHDSACASA-N 427.332 1.058 30 10 IDEE CC1(C)OB(c2cncnc2C(=O)N2CC(NC(=O)OCc3ccccc3)C2)OC1(C)C 2243425393 KTOYZAWRTCYAMZ-UHFFFAOYSA-N 438.293 1.527 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2247834355 UTZHNORRLVUSME-NEPJUHHUSA-N 439.343 1.152 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247880746 KRSZUYWUXDBQCJ-HOTGVXAUSA-N 438.355 1.930 30 10 IDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C1 2255650474 ZRGFQCSXDHKQNG-OKILXGFUSA-N 434.346 1.752 30 10 IDEE CO[C@@H]1CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2255712697 QLSPBOQOTJKGGD-LSDHHAIUSA-N 436.314 1.943 30 10 IDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2255820952 BXFZFPDYZVKIGJ-CABCVRRESA-N 436.314 1.909 30 10 IDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067254 MSSDCQLGNLOOLO-KGLIPLIRSA-N 432.330 1.761 30 10 IDEE Cn1ncc(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2267009555 NANGDBADYKJCSA-RTBURBONSA-N 436.365 1.923 30 10 IDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2267013366 JIPAMHIFIHSBCD-MUJYYYPQSA-N 446.357 1.657 30 10 IDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23CCN(C(=O)OC(C)(C)C)C[C@H]2C3)n1 2267177505 OMDVHEDLRATTGA-PEBXRYMYSA-N 446.357 1.849 30 10 IDEE Cn1cc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267524632 SQEACOANSVNFBI-LSDHHAIUSA-N 446.357 1.943 30 10 IDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)n1 2267535840 CEVMUGHLTFWWJE-UHFFFAOYSA-N 447.345 1.244 30 10 IDEE Cn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC23CC3)cc1B1OC(C)(C)C(C)(C)O1 2267537475 QHHYPJAFKVFGER-OAHLLOKOSA-N 446.357 1.849 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2267596298 MTFUTBSGIBXXQQ-YOEHRIQHSA-N 447.341 1.650 30 10 IDEE Cc1nc(NC(=O)[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2268697513 OEJZMLWJNSNNTJ-ZFWWWQNUSA-N 448.329 1.562 30 10 IDEE C=CCO[C@@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270515332 ABRFRNRRXIXKAT-IAGOWNOFSA-N 426.491 1.061 30 10 IDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2282413626 HJJWPSBNBZQWEX-UHFFFAOYSA-N 441.380 1.965 30 10 IDEE COc1[nH]c(=NC[C@@H]2CNCCN2Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 2339787572 BWCDJVOSWBUFLJ-IBGZPJMESA-N 438.381 1.697 30 10 IDEE COc1ccccc1N/C(=N\C(=O)c1ccc2c(c1)OCO2)NCCN1CCOCC1 46134383 AZAJTJMLVGELRM-UHFFFAOYSA-N 426.473 1.954 30 10 IDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)c2)c1 105723379 HLALPIWSZJHLIS-UHFFFAOYSA-N 441.447 1.955 30 10 IDEE C#CCSCCNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 231938139 OYGRWRGYMFUBEM-UHFFFAOYSA-N 425.269 1.634 30 10 IDEE CC[C@]1(C)NC(=O)N(N=Cc2ccc(OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c(OC)c2)C1=O 254594457 VBNUXALUIVGHBM-DFFLPILJSA-N 446.504 1.764 30 10 IDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 410274152 VCTPBELRFDJBOD-WOJBJXKFSA-N 433.578 1.493 30 10 IDEE COCCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 428274757 DNJDZLHBOZESJY-UHFFFAOYSA-N 443.525 1.659 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@H]4CC[C@H]3[C@H](C(=O)OC)[C@H]4C(=O)OC)cc2C1=O 439816301 XGTIWIQJEYAMSR-QAETUUGQSA-N 426.425 1.034 30 10 IDEE C=CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N3CCC(N(C)C)CC3)no2)cc1 445607935 NTUDXTSJZTXRPF-UHFFFAOYSA-N 433.534 1.296 30 10 IDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 480116613 ZHQSYYDDHLCLQB-SWLSCSKDSA-N 433.515 1.311 30 10 IDEE COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 498852886 HFWGDNVMOVSDKR-UHFFFAOYSA-N 427.548 1.415 30 10 IDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 533607255 FXBOGXSWJVAQIY-UHFFFAOYSA-N 443.554 1.219 30 10 IDEE COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(F)c1 571964057 LYDLFXPCVZNFEH-MRXNPFEDSA-N 433.461 1.124 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1Cl 588145977 GCEVRCPEONPRLT-AWEZNQCLSA-N 425.919 1.953 30 10 IDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 593986169 AOEMESOJOPIMKA-UHFFFAOYSA-N 447.507 1.248 30 10 IDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C)c2=O)c1 603797120 BQXJBIBJLKQSKM-UHFFFAOYSA-N 445.544 1.878 30 10 IDEE CNCCCc1[nH]nc(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)c1C#N 611166260 FYJLNAOYUSGPPU-UHFFFAOYSA-N 433.520 1.563 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CC1 685076990 DPOVIULZJCPFBC-UHFFFAOYSA-N 425.489 1.144 30 10 IDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 732152862 CDVJYPANHOOSQM-VZCXRCSSSA-N 426.860 1.806 30 10 IDEE CN(Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)C(=O)C(F)(F)F 732708492 QOJNGFRZRMAJBT-INIZCTEOSA-N 437.422 1.345 30 10 IDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 743726883 XANZRPXQZZTGLD-UHFFFAOYSA-N 433.518 1.317 30 10 IDEE C#CCN(CC#C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 752075356 JUYINCDNWLLMQJ-UHFFFAOYSA-N 446.573 1.061 30 10 IDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)c[nH]1 753360627 VGCGMVMBPXTOAP-UHFFFAOYSA-N 448.504 1.104 30 10 IDEE CC(C)Cn1c(CCC(N)=O)nn(CN2CCN(c3cccc(C#N)n3)CC2)c1=S 760552143 OMVHWGHEEXFNIL-UHFFFAOYSA-N 428.566 1.534 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCS(=O)(=O)CC2CC2)C1=O 764883955 SXGAYHDJAMFWPA-MRXNPFEDSA-N 434.543 1.451 30 10 IDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 770276127 URSAHJWGPPQGBN-DZGCQCFKSA-N 441.481 1.958 30 10 IDEE COc1ccc(C#N)cc1COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 772243414 KNGSWOJKSMFWKH-YWZLYKJASA-N 432.498 1.955 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3OC)nc2)c(=O)n1CC(C)C 793465111 CKRIUQRELKYPBX-UHFFFAOYSA-N 449.536 1.280 30 10 IDEE C#CCN(C(=O)N[C@H]1COc2cc(F)c(Br)cc21)[C@@H]1CCS(=O)(=O)C1 800746453 VKSWDRIAQWGUSY-YGRLFVJLSA-N 431.283 1.854 30 10 IDEE COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2cccc(C#N)n2)CC1 802501781 KVJDXSDMSNMROP-UHFFFAOYSA-N 433.472 1.913 30 10 IDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1cnn(C)n1 807930050 PDYGEOVPGFMPKE-SFHVURJKSA-N 443.577 1.713 30 10 IDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 809894002 WUNQLPYLFPVOTP-IRXDYDNUSA-N 446.552 1.974 30 10 IDEE C[C@@](C#N)(NC(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)C1CC1 915446760 OGLAVZCOTAUAOV-HNNXBMFYSA-N 430.280 1.062 30 10 IDEE Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)c3nc(O)c4c5c(sc4n3)CCCC5)cnc21 916847808 WMCCPTIFVJZUGH-LLVKDONJSA-N 435.469 1.596 30 10 IDEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O 916902514 HFGSUKLRDDUYTP-LLVKDONJSA-N 428.836 1.448 30 10 IDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)ccc1F 1134908714 ZXUSQOCGEYEEDG-WOJBJXKFSA-N 442.509 1.722 30 10 IDEE CCO/C=C\[C@](O)(CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1141493773 JJPNNBXJUJPJLK-VMDIRFCGSA-N 449.451 1.464 30 10 IDEE CN(C)C(=O)CN1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1144085336 RURNIXUMUTZWAB-WCCYLALTSA-N 447.580 1.442 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)n[nH]2)c1C 1151860418 DFSVZVSWFRQNCK-LJQANCHMSA-N 425.537 1.455 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(F)nc1Br 1156584095 ALJPFXABMNXICL-JTQLQIEISA-N 441.282 1.838 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(OC(C)C)CCOC1 1178523912 QKMWCSNPPONKJP-UWJYYQICSA-N 437.562 1.840 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(Br)cnc2N)s1 1182090602 GZBSGEKGDGTYOH-UHFFFAOYSA-N 445.364 1.811 30 10 IDEE CS(=O)(=O)NC[C@H]1COCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1196639122 LWGJGKGNJBZPFK-ZDUSSCGKSA-N 426.564 1.077 30 10 IDEE COCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 1264288943 BCTMFOXDIWHDLA-GOEBONIOSA-N 439.921 1.227 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 1286350294 YRBQADFRTZQZQL-JKSUJKDBSA-N 425.555 1.028 30 10 IDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286433883 OGPWPYCCSHWGNN-IBGZPJMESA-N 434.500 1.617 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[S@](=O)C(C)(C)C)CC1 1286469486 HISFUEZXGNYMLI-PMERELPUSA-N 436.626 1.499 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCOC2)CC1 1286488783 UDPPIRXGWFILTL-JPYJTQIMSA-N 445.564 1.323 30 10 IDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286621293 BDMYGKHZRFRVBR-CQSZACIVSA-N 435.978 1.615 30 10 IDEE C=CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1286777620 IZMHCRVVWDKDOQ-QWHCGFSZSA-N 429.453 1.317 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(O)cc2C1 1286813946 GLEVWWJGBCUWRM-UHFFFAOYSA-N 445.545 1.383 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1286964746 DPGXPJWGTGPOCO-HNNXBMFYSA-N 436.520 1.656 30 10 IDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1286964899 FPYVLGIGJICXSG-OAHLLOKOSA-N 441.561 1.903 30 10 IDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1287136644 CSZVZMGFHITTGE-OAHLLOKOSA-N 432.550 1.458 30 10 IDEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)n1 1290952299 CIRWCPHDXQCOMM-QGZVFWFLSA-N 441.517 1.764 30 10 IDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1297563650 WPXBJEJLWFIAGE-UHFFFAOYSA-N 432.550 1.713 30 10 IDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1297626354 FAIJSYYCEVNJLP-DHJUGAMNSA-N 441.532 1.988 30 10 IDEE C[C@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1300206125 DKFPMITUUPJGLL-QFIPXVFZSA-N 426.542 1.896 30 10 IDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1300336635 LYEYPXMBEBZFRQ-QGZVFWFLSA-N 440.552 1.892 30 10 IDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1300365173 QPKNHADLLLFERA-NNWRFLSQSA-N 442.608 1.964 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1300487189 HUGSPMCLYUHFAP-INIZCTEOSA-N 445.520 1.237 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300692642 KLXZBDTXCFSPPX-QHCPKHFHSA-N 447.587 1.929 30 10 IDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccn2)CC1 1300779410 WNUSWHOBVHLKTQ-ROUUACIJSA-N 443.577 1.485 30 10 IDEE C=C(C)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1300969792 DSDWIZKRVQIHKQ-OAQYLSRUSA-N 432.525 1.415 30 10 IDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301221582 LMXVGDXAEHWLAO-KSZLIROESA-N 425.599 1.692 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1301475411 QYVSEIXDLMYVAG-KRWDZBQOSA-N 426.521 1.721 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccs1 1301500579 NOXBNEVJSOQKQP-HUUCEWRRSA-N 435.575 1.885 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1301502042 BAWOTCHPQQSBOL-SJORKVTESA-N 434.585 1.536 30 10 IDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301637593 XDEXTGLCEKTNNW-UHFFFAOYSA-N 425.537 1.500 30 10 IDEE COCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302220227 MZSOADDOZZCSLW-IBGZPJMESA-N 441.492 1.693 30 10 IDEE N#Cc1cn(C2CN(C(=O)c3c[nH]c4ccc(Br)cc4c3=O)C2)c(=O)nc1O 1305589210 DREKOSLQPRPZFP-UHFFFAOYSA-N 442.229 1.122 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)CC1 1310114645 XGFAJEGMWJEDQY-UHFFFAOYSA-N 433.465 1.630 30 10 IDEE C=CCn1cnnc1S(=O)(=O)[C@@H](C)C(=O)Nc1cccc(I)c1 1319041932 PMIAKUMTUQIHGB-JTQLQIEISA-N 446.270 1.870 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1358889939 JFLALRFDOVSKDK-WMZOPIPTSA-N 429.546 1.377 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359291534 USSVUGAXBNETMN-JKSUJKDBSA-N 426.525 1.147 30 10 IDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359341674 DJXDKQVFHSLIFL-OAHLLOKOSA-N 444.565 1.274 30 10 IDEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCCO 1359539047 QDWSYRCGMLSRMS-UHFFFAOYSA-N 427.553 1.859 30 10 IDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)C1 1360034746 HISMAQPHWPFRLF-RTWAWAEBSA-N 435.532 1.902 30 10 IDEE N#Cc1cccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1Br 1360359285 CPJSBMRERQVQFI-ZDUSSCGKSA-N 430.324 1.539 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1360475800 DSYHLIRDQXZNRA-NEPJUHHUSA-N 441.451 1.836 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(NS(C)(=O)=O)CC3)C2)C1 1441011785 ONFPKPYBNRCGBS-RDYUPDBUSA-N 440.566 1.313 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3ccc4c(c3)B(O)OCC4)C2)C1 1454447515 BYBPOFWUHXUUEV-BXFSZVDSSA-N 425.294 1.672 30 10 IDEE COc1c(F)cc(CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1S(N)(=O)=O 1454675627 DTOHSVFZKBHZOY-FQEVSTJZSA-N 432.477 1.503 30 10 IDEE Cc1nn(C)c(N2CCN(C[C@@]3(O)CCCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1473392322 BCLZGRTWGSDLDZ-JOCHJYFZSA-N 432.569 1.874 30 10 IDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(NS(N)(=O)=O)CC3)c2C#N)C1 1473704737 OWSFDMWDEAKOPZ-LBPRGKRZSA-N 425.580 1.331 30 10 IDEE C[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1 1479444930 DVRXGGXHJQCRSI-LLVKDONJSA-N 432.278 1.953 30 10 IDEE CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1)CC(F)(F)F 1503593955 BKLGCXOVMZUSHE-UHFFFAOYSA-N 435.454 1.979 30 10 IDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1504813191 JXOYJLMQUHHSNU-KRWDZBQOSA-N 433.534 1.636 30 10 IDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1507652907 MFWZGEKIWKNPBJ-UHFFFAOYSA-N 432.484 1.598 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(N)=O)c1 1507658770 OAPPYQQUDLRADV-UHFFFAOYSA-N 427.468 1.536 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccc(C)c1 1507659132 LLRBXIZVTSEDJT-SFTDATJTSA-N 435.528 1.813 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1507735957 JQXUTCXYZFTPLW-BOCKYXSRSA-N 445.564 1.321 30 10 IDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 1507750765 DMXLYQAPRWGBJZ-ZACQAIPSSA-N 441.623 1.460 30 10 IDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1S(C)(=O)=O 1507984444 WXXQYUGRVJOHPJ-CRAIPNDOSA-N 433.534 1.837 30 10 IDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1508036494 PPOSOOSRYFLSKB-GOSISDBHSA-N 442.568 1.555 30 10 IDEE C=CCn1c(N2CCN(C[C@H](O)c3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 1508066743 FAZWENMOQHLJBC-NZQKXSOJSA-N 427.549 1.972 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1508073125 IYDGCEMFRKFKCI-CVEARBPZSA-N 436.557 1.824 30 10 IDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1510253196 DEFAWBWWCNIJLX-APWZRJJASA-N 432.500 1.864 30 10 IDEE Cc1nccn1CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1511613558 IJRYSTADANCWSE-HNNXBMFYSA-N 445.325 1.980 30 10 IDEE COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c1OC 1536346551 OUDVTXNEPAKAMW-CABCVRRESA-N 432.477 1.462 30 10 IDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 1539124969 JGZRIAANKXQQHN-LSDHHAIUSA-N 449.499 1.803 30 10 IDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1539148014 GFGMGTJBRSVUHL-INIZCTEOSA-N 442.549 1.204 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)nn(C)c1C 1539167499 FRTLOWQWXGHDDD-UHFFFAOYSA-N 426.550 1.706 30 10 IDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1539216976 YMVQVIOVUBPTCB-CYBMUJFWSA-N 437.909 1.385 30 10 IDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1539229675 GPXIUEIIOLLVTC-NQIIRXRSSA-N 448.593 1.318 30 10 IDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cs2)CC1 1539488631 BVHRGDXYARTCKG-UHFFFAOYSA-N 445.618 1.972 30 10 IDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1539499631 NPPWHSDHQVAGGF-UHFFFAOYSA-N 449.602 1.787 30 10 IDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)NC)CC1 1539728364 HCPGQKIRRSUUDH-UHFFFAOYSA-N 429.481 1.907 30 10 IDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1539758400 MMNDWERGINACDP-UHFFFAOYSA-N 430.475 1.678 30 10 IDEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCCNS(C)(=O)=O)CC1 1539859763 TYYWNSGVMXWOFI-UHFFFAOYSA-N 435.550 1.961 30 10 IDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1540871839 VGXWIZKHQXWJAM-CVEARBPZSA-N 442.568 1.673 30 10 IDEE CCN1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1547661961 YKRYZLQJUMNIOA-HNNXBMFYSA-N 438.536 1.293 30 10 IDEE COCC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1555426113 IEHQHQDUBZSFBW-JOCHJYFZSA-N 425.537 1.926 30 10 IDEE COCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555526830 GXZQNXDOGYQZIV-INIZCTEOSA-N 425.541 1.110 30 10 IDEE C#CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)C(=O)OC 1556970746 HFROEFNBNRTDSY-QGZVFWFLSA-N 434.445 1.930 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CC1 1558073190 NIOPLSIDWUUGNK-UHFFFAOYSA-N 425.938 1.887 30 10 IDEE Cc1ccc(S(=O)(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1C 1559032867 MGDQVXDSFKSRGK-UHFFFAOYSA-N 445.497 1.486 30 10 IDEE Cc1nn(C)c(N2CCN(C(=O)C[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1567645719 FGKVTCXYBSUJNR-QFIPXVFZSA-N 446.552 1.401 30 10 IDEE COc1ccc2nc([C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 1567878842 BVKGNJCJTVLQMO-STQMWFEESA-N 427.486 1.987 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1568508289 LWIGDSSHJJXHAN-JPYJTQIMSA-N 442.516 1.801 30 10 IDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1(S(C)(=O)=O)CC1 1568907973 DWHYAXQAAFJYSL-MLBPIDQTSA-N 425.551 1.855 30 10 IDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1584451478 VYHKGIOBDGSEGY-LSDHHAIUSA-N 432.420 1.673 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1587678359 SABQXQGDDPBQJX-OXQOHEQNSA-N 434.587 1.886 30 10 IDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NCC)CC1 1587783416 QNGFVFGMIBNZQV-UHFFFAOYSA-N 443.577 1.925 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1588646441 KACSLTDYPPJJFG-OAHLLOKOSA-N 435.550 1.600 30 10 IDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1593694958 BFEMNRGIJUVQMT-DLBZAZTESA-N 439.520 1.575 30 10 IDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1594803270 QLJIWIJSLPPLET-IBGZPJMESA-N 426.525 1.682 30 10 IDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1594992967 WMXXZQDXYJRVGT-RDPSFJRHSA-N 440.592 1.805 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1595302911 GZNFUGRAXKIJBK-ROUUACIJSA-N 439.582 1.606 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1 1595613345 CJMSSZOGDSGKJP-YJBOKZPZSA-N 447.561 1.712 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595837727 CCOBAWHYDYCKDB-GOSISDBHSA-N 434.610 1.734 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)CCOC1 1610433698 XOSIUUZJUZZGRO-JOCHJYFZSA-N 446.552 1.308 30 10 IDEE Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1612418237 CQGNOSWRCAYNRN-BZNIZROVSA-N 427.531 1.338 30 10 IDEE CCCN1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1614870905 FPVGRHGQSUJDGF-ZZEZOPTASA-N 429.525 1.377 30 10 IDEE COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1ccc(O)cc1 1616199055 BAOKWAJLPURWBK-CQSZACIVSA-N 434.445 1.590 30 10 IDEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)nc1 1616417056 SUIWBXLBGQOMRZ-HNNXBMFYSA-N 432.221 1.871 30 10 IDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1620045130 NMYBBZIDODOXLP-QGZVFWFLSA-N 448.474 1.830 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCC3(C#N)CCCC3)ccc2F)CC1 1628342424 VRQWFVGDPPGJQS-UHFFFAOYSA-N 436.509 1.492 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)cc1 1632291851 FZIWEVMAHPYTLN-NRFANRHFSA-N 441.553 1.537 30 10 IDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1632328719 SFZSDDPMNOTBNR-OYHNWAKOSA-N 427.480 1.847 30 10 IDEE C#C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C1CCOCC1 1633417091 AKRMCPHJMGPYAX-FUHWJXTLSA-N 440.949 1.956 30 10 IDEE COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1634853901 JKLSPLHXOMYNQQ-QGZVFWFLSA-N 447.488 1.545 30 10 IDEE C#C[C@H](CO)NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1636623260 OQCRRLTZWPVAOV-BFIDETRKSA-N 434.492 1.871 30 10 IDEE CONC(=O)C1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1637438028 FLDCYLZJENSOPI-UHFFFAOYSA-N 427.461 1.939 30 10 IDEE C#CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1638016732 DCOKCUGJDOOPIR-CYBMUJFWSA-N 430.280 1.689 30 10 IDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)CC1 1640201925 RHBFSZVUHNHUPP-FQEVSTJZSA-N 448.608 1.991 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1 1640202604 SPPJNEWNBNSSEM-AWEZNQCLSA-N 449.451 1.784 30 10 IDEE C=CCC1(O)CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1644943012 PDYGWPIURMEPGX-UHFFFAOYSA-N 437.562 1.377 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)C2)nc1 1645085223 LRBICTGIMRZITI-MRXNPFEDSA-N 445.501 1.284 30 10 IDEE CN(CCOc1ccccc1)Cc1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1651976685 XNVDJUOXJQZMPV-UHFFFAOYSA-N 433.468 1.970 30 10 IDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 1659512093 FZHOLJMEJCNDHX-KURKYZTESA-N 425.549 1.616 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)CC1 1661651450 ZNANWTGPHYGUHY-UHFFFAOYSA-N 446.533 1.401 30 10 IDEE C#CCC1(O)CCN(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 1665254742 GSNTWKUPTPNBAV-UHFFFAOYSA-N 428.533 1.742 30 10 IDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC 1665720843 AMRAGFBLTJCODW-UHFFFAOYSA-N 443.591 1.565 30 10 IDEE COC(=O)C1(C#N)CCN(C(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)CC1 1675591022 ZWLGZIYELINGNH-UHFFFAOYSA-N 428.533 1.892 30 10 IDEE CNC(=O)[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)Cc1ccc(F)cc1C 1682261958 CTXHNTSOYRRDCJ-OAHLLOKOSA-N 429.500 1.490 30 10 IDEE C#C[C@H](NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccc(Br)cc1 1682356285 DQFHOSXHPINTRX-CABCVRRESA-N 430.324 1.083 30 10 IDEE C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)nn1 1683315066 GXHDSQLPOHPOKR-HOTGVXAUSA-N 429.525 1.855 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1N1CCOCC1 1689824391 ONIRBACPRRQEMB-QGZVFWFLSA-N 440.523 1.996 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1689826580 QUQOPYJIRBLNJO-CQSZACIVSA-N 427.900 1.396 30 10 IDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)CC1 1689914864 HKXGHOSNFIYFKQ-UHFFFAOYSA-N 434.591 1.529 30 10 IDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689978014 JUSSQWDYPNRBOJ-QGZVFWFLSA-N 442.545 1.742 30 10 IDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689989905 JNSYWOYDYPGGOP-RBUKOAKNSA-N 446.577 1.742 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)OCC)CC1 1690150478 JNDQKBGVBQJXBS-UHFFFAOYSA-N 430.553 1.181 30 10 IDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690178648 DEUBESKWZVINSS-FQEVSTJZSA-N 426.590 1.789 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 1690663505 YUUREVBDSOISDD-UHFFFAOYSA-N 444.380 1.640 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1690725728 ZXKDPDTVEGYCJR-LJQANCHMSA-N 445.589 1.741 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1690994988 BAORRBKKOFWUJT-DLBZAZTESA-N 446.577 1.665 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1692658485 XQUBGKZOYASUAA-ZDUSSCGKSA-N 438.941 1.672 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CC[C@H](CO)O3)CC2)c1C#N 1693407362 VHXOYNZOCDSOAO-DLBZAZTESA-N 442.568 1.356 30 10 IDEE CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696700830 QUCOBJQXOIWAGP-BSBNDGSWSA-N 438.488 1.650 30 10 IDEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705518965 ZCUQSCHNTJUBTI-OAHLLOKOSA-N 442.470 1.098 30 10 IDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1705563052 PUFHPBLUFYFCPM-IEBWSBKVSA-N 430.530 1.759 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1705566198 MDKXHADDYOZMMZ-SFHVURJKSA-N 448.593 1.758 30 10 IDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1705612670 LYIKYPPMIXCEEN-UHFFFAOYSA-N 425.537 1.453 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCc3ccccc32)CC1 1705632537 STASKKHZQWINLK-LJQANCHMSA-N 435.576 1.623 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCN2CCC)CC1 1705635442 YWFRVWNBUVOEGQ-XUZZJYLKSA-N 444.624 1.948 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C)[C@H](OC)C1 1705904766 XZRRXLURAOUKOY-IPELMVKDSA-N 427.505 1.954 30 10 IDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705930017 CXTVPMMVRQHNJN-KRWDZBQOSA-N 425.599 1.991 30 10 IDEE CCN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1709942694 BJNTVRRCDSXIPM-LJQANCHMSA-N 439.545 1.920 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1711317779 FAEWWSCKYRFCDN-XXBNENTESA-N 438.532 1.975 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2COCCO2)c1 1712686656 ARXQPOUBJSPWOP-GOSISDBHSA-N 445.545 1.894 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)OC(C)(C)C 1722350042 JZPTWHNLMVQAQZ-UHFFFAOYSA-N 447.565 1.832 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N(C)C 1722376896 HHRBKDQSYOEUBH-UHFFFAOYSA-N 430.306 1.877 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1722419261 VJGBBQGYWSEVNG-QGZVFWFLSA-N 434.504 1.471 30 10 IDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722629182 HLXZAFJDIJKQIG-UXHICEINSA-N 446.596 1.508 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722701555 UOGITFHPCKSCIG-UHFFFAOYSA-N 428.562 1.681 30 10 IDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1722703183 XAGGSNCZWWERLB-UHFFFAOYSA-N 440.548 1.916 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1722870725 WDACJOAHZGYRCO-HOTGVXAUSA-N 449.556 1.707 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)Cc1ccccc1 1723933262 DZQIQUNPEWWHEB-UZLBHIALSA-N 449.556 1.462 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1729397541 WCGMYXCENUELLD-IBGZPJMESA-N 444.561 1.716 30 10 IDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)N2CCOCC2)cc1 1730089758 BHPQKNIDOWCMFX-IBGZPJMESA-N 426.521 1.793 30 10 IDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1740621890 PUKVNBIQOYQFOY-SFHVURJKSA-N 425.518 1.232 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740621976 RGMBAJAKWLMZFA-SFHVURJKSA-N 432.594 1.641 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1740644553 LBOSFVPUMDOLTH-IEGUWTFLSA-N 442.564 1.188 30 10 IDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740666395 OEPMARZALKAOFR-HNNXBMFYSA-N 431.518 1.415 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1740689451 AGKJHRYLCHIOAN-VQTJNVASSA-N 429.613 1.490 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCc2ccccc21 1740951332 FLHXPJJRYMTWNH-WMLDXEAASA-N 432.550 1.314 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(CS(C)(=O)=O)CC2)C1 1740983249 FDCOGHUYQGBVBS-MRXNPFEDSA-N 437.566 1.007 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740989137 AXFNOEDHJQTOOQ-NRFANRHFSA-N 445.545 1.413 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740989814 AEXJUGWYUBGUHT-SFHVURJKSA-N 434.566 1.675 30 10 IDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1746186014 LNZKYTKWPICDEP-SFHVURJKSA-N 439.564 1.842 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC(=O)N(C)C 1748651836 RRYLQGNAXDHSJC-MRXNPFEDSA-N 446.577 1.522 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCSCC1 1748652021 VWTXKQIAQINSDY-INIZCTEOSA-N 433.603 1.855 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC(F)(F)CO1 1748776854 SGYZQEMFZJFGKD-OAHLLOKOSA-N 439.488 1.689 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748814444 GGWCSUVNFVOCSL-OALUTQOASA-N 442.589 1.760 30 10 IDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1-n1cccn1 1748830012 NESXQAQBHOSCOO-QHCPKHFHSA-N 431.500 1.632 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C 1748846889 LUUUKNYGSICNLQ-UXHICEINSA-N 431.606 1.764 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)n1 1748970529 IMYJKKMAYKTPMZ-JOCHJYFZSA-N 427.553 1.537 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1748994764 QBQNZLWTBDEXBF-DEOSSOPVSA-N 436.560 1.305 30 10 IDEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1749022583 KPWUUHOJYLKTFL-CRAIPNDOSA-N 447.536 1.875 30 10 IDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1749044590 SDEPKUNZNRUCQQ-UHFFFAOYSA-N 440.577 1.192 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1749053160 BUPWGTSSBDXYDN-CKEIUWERSA-N 429.637 1.729 30 10 IDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1749264800 DZGZWLYPURIQOH-CQSZACIVSA-N 430.896 1.796 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 1749670762 VWZGJLPXQVKXDQ-FQEVSTJZSA-N 439.560 1.906 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 1749677716 IREMLJGANRDWKR-ACJLOTCBSA-N 441.363 1.723 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1750139011 HAPVJONDXRLNMG-TXPKVOOTSA-N 441.529 1.269 30 10 IDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1751094320 HYMVVRPZOUWWOC-CRAIPNDOSA-N 439.520 1.174 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1760099835 MQYZOOSZANDZFU-GAJHUEQPSA-N 425.533 1.990 30 10 IDEE C#CCN(c1nnc(C)n1C[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1760181363 SVFCFYGWVAALBU-UYAOXDASSA-N 431.562 1.525 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760184713 KWSPIWKYNUEDGM-CQSZACIVSA-N 442.463 1.993 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760188147 INRKRNQGHXLNET-SFHVURJKSA-N 446.577 1.655 30 10 IDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)c1cc[nH]n1 1760206467 ABKMTDAZOHAUTQ-UHFFFAOYSA-N 426.484 1.507 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1760210548 SXVFAWZROMBUND-SJORKVTESA-N 447.536 1.958 30 10 IDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1760245863 NFSRZLFWXYXTMR-XDOYNYLZSA-N 445.483 1.429 30 10 IDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760373969 GDTBMVNKKNMJKW-ZDUSSCGKSA-N 441.920 1.188 30 10 IDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N1CCOCC1 1760504614 VVDHSZRUCQDKMM-UHFFFAOYSA-N 429.477 1.171 30 10 IDEE CC(=O)N1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N(C)C[C@H](C)C#N)CC1 1760621802 AUKGDPBQQUDBTM-MRXNPFEDSA-N 445.518 1.907 30 10 IDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)C1 1761545671 HQHALSQENLFPIY-OAQYLSRUSA-N 425.493 1.440 30 10 IDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)cc1C 1761808885 HFZVZENTMKMMCR-QGZVFWFLSA-N 446.533 1.311 30 10 IDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(C(=O)NC)c2)CCOC1 1767437959 BKAXMOZIKIKPSD-VXKWHMMOSA-N 442.495 1.780 30 10 IDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1767917544 SECGVJWUBNYNBM-NZSAHSFTSA-N 441.488 1.268 30 10 IDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCOC(C)(C)C 1768587081 OISCDLUMKFWETB-UHFFFAOYSA-N 426.521 1.927 30 10 IDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1768972316 BGJQKDLLBCNDGP-LEWJYISDSA-N 430.484 1.374 30 10 IDEE CO[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1769102871 MVSVWXDVGKATQA-KOFUXLBCSA-N 430.509 1.170 30 10 IDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1769160785 VNTMUOYAGNCXKZ-QHCPKHFHSA-N 447.499 1.689 30 10 IDEE COCCOCCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1770147178 KEFAWHMKBBLSDN-UHFFFAOYSA-N 448.531 1.986 30 10 IDEE COC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1770952115 ZBTTUVIQKHDYEH-MXLIYFDZSA-N 430.509 1.314 30 10 IDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1771178640 DCRLBNURNSHMPB-SFHVURJKSA-N 433.601 1.768 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1772566598 KJEVQEDODYRTGW-IKGGRYGDSA-N 445.568 1.053 30 10 IDEE NC(=NOCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(OC(F)(F)F)cc1 1853459512 NSSQSKKRBAHIQZ-UHFFFAOYSA-N 438.410 1.751 30 10 IDEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1=O 1856098575 LCAVZXHOMIADLY-SFHVURJKSA-N 426.498 1.187 30 10 IDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1861766643 BNMPMODSYZRKIB-APWZRJJASA-N 437.427 1.504 30 10 IDEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1870110772 HXRBYZCKQKLCOL-UHFFFAOYSA-N 445.395 1.649 30 10 IDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1872919803 KEGPGCZXOUAUEF-INIZCTEOSA-N 445.516 1.606 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 1984991270 VIQUOYQEVNQQKC-HRCADAONSA-N 425.526 1.780 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 1985856747 HRBSBGJVTVFFRL-CABCVRRESA-N 428.530 1.965 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 2010522168 VDVOGSQDEWOBLH-WMZHIEFXSA-N 428.533 1.842 30 10 IDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 2013639282 XLIHKKLNZKBXMH-JKSUJKDBSA-N 437.537 1.876 30 10 IDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 2082041021 GFQIXKITEAKQHQ-UHFFFAOYSA-N 437.346 1.808 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2124542812 JVMSWUXJFBEKQF-GJZGRUSLSA-N 448.329 1.644 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2136170680 IVIFTKVOGMHTJA-MELADBBJSA-N 426.267 1.600 30 10 IDEE CC1(C)OB(c2cnc(N3C[C@@H]4[C@H](CCS4(=O)=O)C3)c(Br)c2)OC1(C)C 2172780239 NPASFZJZCILWFT-BXUZGUMPSA-N 443.172 1.767 30 10 IDEE CN1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2224135302 OQWHZDPUGFKXKM-ZDUSSCGKSA-N 428.264 1.180 30 10 IDEE CC1(C)OB(c2csnc2C(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)OC1(C)C 2255534727 LCDXXTNBSMDRNF-LLVKDONJSA-N 447.288 1.973 30 10 IDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2256615321 UCSXBZGFJLPURS-OAHLLOKOSA-N 433.314 1.955 30 10 IDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 2256623172 BLEFAYSDODZBNA-OAHLLOKOSA-N 436.314 1.819 30 10 IDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1)C(C)(C)O 2256679718 YUNOIOJZKNLUGJ-OAHLLOKOSA-N 435.330 1.984 30 10 IDEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 2267548594 HCCHGEXLTULXIO-HUUCEWRRSA-N 444.341 1.713 30 10 IDEE C[C@@H]1CC[C@@H](NC(=O)C(F)(F)F)CN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267612102 YHNIAARHADCGIT-VXGBXAGGSA-N 442.247 1.447 30 10 IDEE O=C1O[C@H]([C@@H](O)CO)C(=N/Nc2ccc([N+](=O)[O-])cc2)/C1=N/Nc1ccc([N+](=O)[O-])cc1 15775033 YUUFLFHZQBBXNY-JOUCTDIPSA-N 444.360 1.018 30 10 IDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20806424 IXCATRMQMWPLGY-UFFVCSGVSA-N 441.473 1.646 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC3=C(C(=O)OCC)[C@@H](C)NC(=O)N3)cc2C1=O 24474282 ZOJJVJKFJLUGIY-LLVKDONJSA-N 427.413 1.144 30 10 IDEE Cc1c(CC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)c(=O)oc2cc(N)ccc12 100051897 QYSJBOMZRLAPJR-UHFFFAOYSA-N 443.456 1.510 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)c2sc3nc(COC)nc(OC)c3c2C)CC1 105264728 MVGIYAZNZYWOKY-UHFFFAOYSA-N 433.534 1.215 30 10 IDEE Cn1nc(CC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c2ccccc2c1=O 110532624 NQJTVQQRJIWABN-UHFFFAOYSA-N 442.435 1.715 30 10 IDEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(=O)O)(C(=O)O)N[C@H]2c1ccc(Oc2ccccc2)cc1 247967799 CGMHQIKTWFEKDO-VKDGWMQASA-N 448.431 1.656 30 10 IDEE CS(=O)(=O)c1cccnc1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 426219423 YAXVNEXHLAANJE-UHFFFAOYSA-N 429.502 1.941 30 10 IDEE Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 434010139 BNZQUJXLWUJAHI-MEDUHNTESA-N 443.451 1.995 30 10 IDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1 447180359 HOQOIXYVYIALPX-UHFFFAOYSA-N 427.480 1.487 30 10 IDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OCC(F)(F)F)c1=O 461373570 PQXARANMNVVRCY-UHFFFAOYSA-N 449.454 1.819 30 10 IDEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)ccc1Cl 462673152 DWSAHLSGGIQZOX-LJQANCHMSA-N 433.917 1.960 30 10 IDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 469030842 OHULDEFSPGTGFM-MJGOQNOKSA-N 448.504 1.917 30 10 IDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2CCN(c3ccccn3)CC2)cc1 469154747 WSMLPCJSSJNXTR-LJQANCHMSA-N 436.541 1.615 30 10 IDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)N2CCS(=O)CC2)cc1 481016303 PPOBITSHPDWUOU-CQSZACIVSA-N 426.564 1.337 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 483127739 XPJKSZASDAMOHF-FXAWDEMLSA-N 426.542 1.958 30 10 IDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 513062647 UVQVLEBGEYXZRE-IBGZPJMESA-N 434.949 1.779 30 10 IDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 521341836 BDONKTQISPZMSU-UHFFFAOYSA-N 429.521 1.343 30 10 IDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN(C)c1ccccc1 549639387 KVXQPFCXFUCTSW-LJQANCHMSA-N 448.593 1.760 30 10 IDEE N#Cc1ccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2C[C@H]2CCCO2)cc1 559132000 ICFCMEGFCZHOCT-OAQYLSRUSA-N 449.559 1.740 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C#N 604000385 VAOGMBSASCKSJN-UHFFFAOYSA-N 432.480 1.939 30 10 IDEE COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)Cc1cccc(F)c1 609266089 GBIYEAADXCMJPI-KRWDZBQOSA-N 447.488 1.779 30 10 IDEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669806723 GYGQFDYUNUIHRA-SFHVURJKSA-N 432.488 1.994 30 10 IDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 670195529 AAVKFBFKJGTHMC-MSOLQXFVSA-N 438.598 1.252 30 10 IDEE CC1(C)OB(c2cc(Br)ccc2S(=O)(=O)N2CCNCC2)OC1(C)C 725434034 CBLQVPREXUAEGK-UHFFFAOYSA-N 431.161 1.342 30 10 IDEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1 726312342 GSVWDOXPWIBEGF-HXUWFJFHSA-N 440.525 1.822 30 10 IDEE COCCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccoc2)c1=O 732795801 YWLOWWAYSITJGV-UHFFFAOYSA-N 441.431 1.206 30 10 IDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 735837427 HLDIVSWARPLZOL-FCQUAONHSA-N 439.516 1.248 30 10 IDEE COc1cc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1O 743324921 PVFJJSDDMHABOB-LBPRGKRZSA-N 433.486 1.543 30 10 IDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)s1 745251852 CNEXTANBHINLBZ-GFCCVEGCSA-N 437.499 1.896 30 10 IDEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H](C)C(=O)NC)c1 751921835 AIZZGFCHMMIWOV-RHSMWYFYSA-N 433.578 1.383 30 10 IDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(COC)o2)c1=O 758050236 DXDDXOPAVAQLKO-UHFFFAOYSA-N 434.473 1.677 30 10 IDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccc(F)cn2)cn1 763235250 VKXJTQHMKJLYFU-KRWDZBQOSA-N 447.540 1.637 30 10 IDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc4c(c3)OCCO4)c2=O)c1 763452510 GPUAUPFYCDSPCU-UHFFFAOYSA-N 447.516 1.881 30 10 IDEE CC(C)n1ncc2c1C[C@@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 772455754 ALTKWZCGTHBTRA-ZBFHGGJFSA-N 429.546 1.955 30 10 IDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 784123167 BDOZUZCKIPPGPH-FQEVSTJZSA-N 442.585 1.825 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 794592601 LZYZCSJWEZGNNS-CYBMUJFWSA-N 441.509 1.993 30 10 IDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)c1ccc(F)cc1 794895728 MKYHJVCQHCLNAZ-OALUTQOASA-N 446.500 1.858 30 10 IDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 805591678 XWTOFOJGWJLCDF-MOPGFXCFSA-N 446.523 1.540 30 10 IDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 808479629 IAMQGHQOZGMXHJ-UHFFFAOYSA-N 426.454 1.960 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCO2)c1 812253036 KFWWKOXJTSMCQT-OALUTQOASA-N 425.489 1.601 30 10 IDEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H](C)C(=O)NC)cc1 813563666 YKAUPSVOGVGQOW-YOEHRIQHSA-N 433.578 1.383 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@](O)(CN(C)C)C1 819525868 TZHYFDWVCZTVEB-UWJYYQICSA-N 436.578 1.055 30 10 IDEE Cn1ccnc1[C@](O)(CCNC(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 916376645 DUIRWAAFLVWQON-GOSISDBHSA-N 437.426 1.359 30 10 IDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 916702727 FKCXZSMJYBTDRH-KRWDZBQOSA-N 444.513 1.428 30 10 IDEE C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccc2Cl)C[C@@H](C)O1 1134267744 GLYCZSOUPZMJKH-PJIJBLCYSA-N 441.937 1.893 30 10 IDEE C#CCN(CC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)C(=O)OC(C)(C)C 1136720122 BSZAVULPVRDKBV-UHFFFAOYSA-N 444.532 1.790 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 1143501310 ZSSOMEJIVFIEOM-QFBILLFUSA-N 435.546 1.332 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCCc1ccc(C#N)cc1 1147172301 OFUNJBYKGNSVOX-IPMKNSEASA-N 447.557 1.887 30 10 IDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1157530611 LOACJTVWGMUVMQ-HXUWFJFHSA-N 429.498 1.385 30 10 IDEE Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1C 1166614602 JROVNPYKWDNNTJ-MRXNPFEDSA-N 440.500 1.718 30 10 IDEE COC(=O)C1CC2(C1)CN([C@H](C(N)=O)c1ccc(C#N)cc1)C[C@H]2C(=O)OC(C)(C)C 1176052249 NCBDWQVEZZSNSO-QKBUSNMPSA-N 427.501 1.928 30 10 IDEE COC(=O)[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1198140914 QHJOLQSOZPZQTH-DLBZAZTESA-N 428.489 1.427 30 10 IDEE CNS(=O)(=O)c1ccc(CCNC(=O)N(CCOC)Cc2ccc(C#N)cc2)cc1 1234633308 JTWYYHBCUICZFT-UHFFFAOYSA-N 430.530 1.867 30 10 IDEE C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1255639959 YKPMFMSOBZZOHK-CVEARBPZSA-N 425.526 1.803 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1286386708 GIAPHGQLHBLLSJ-MSOLQXFVSA-N 430.578 1.252 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286387859 VJELKAYVHSSTIP-QGZVFWFLSA-N 439.545 1.365 30 10 IDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CC1 1286432693 UJPKLGXPPZTBRN-GDLZYMKVSA-N 429.571 1.644 30 10 IDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1286464013 PKZNXMDKPJWFGA-MRXNPFEDSA-N 446.529 1.237 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1286484488 PCSKLUZBQMIARI-UHFFFAOYSA-N 438.576 1.763 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC)CC1 1286489106 FWQLZOYGIGHBJY-UHFFFAOYSA-N 439.516 1.719 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccco2)CC1 1286490362 RFFLNJOJMVKSHI-HSZRJFAPSA-N 436.516 1.750 30 10 IDEE C=CCCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1286690691 VCQDIKIZYXQEFM-JTSKRJEESA-N 446.552 1.759 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1286788309 ULQZPTXAUYDLQZ-SJORKVTESA-N 448.568 1.968 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)C(C)=O)CC1 1286816506 LYWFOZIDNYXHPQ-UHFFFAOYSA-N 435.550 1.894 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1286823533 NVVOIYININQKBO-JYJNAYRXSA-N 429.612 1.670 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286964588 CGDSJOXDEOJVHE-WMZOPIPTSA-N 427.557 1.217 30 10 IDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCCN1CCOCC1 1288217382 MQQJJWRGKUJADP-UHFFFAOYSA-N 439.564 1.890 30 10 IDEE N#C[C@H](CO)NC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 1297879473 APGLLKAVIDBVMU-UMQYOCJBSA-N 426.317 1.651 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1300303033 GCEYWEBDEMFBAT-INIZCTEOSA-N 434.500 1.823 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1300310719 YZTGCCQVKNKRHP-MJGOQNOKSA-N 431.562 1.734 30 10 IDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCN4C(=O)CCNC4=S)CC3)n[nH]2)cc1 1300414627 RZDIDYAHCZVWOZ-UHFFFAOYSA-N 437.529 1.094 30 10 IDEE C#CCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424860 NNKUGMIRLBOMBJ-MZKRTTBSSA-N 431.581 1.889 30 10 IDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([S@@](C)=O)CC1 1300606636 PXHVDVLGJMRRRO-GDLZYMKVSA-N 449.602 1.566 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1300895354 QILMBNNCWKCXEM-XWSJACJDSA-N 449.552 1.872 30 10 IDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(NS(C)(=O)=O)CC1 1300897224 PLAWPNGBCKDLRZ-MAUKXSAKSA-N 427.571 1.314 30 10 IDEE N#Cc1cn(CCNC(=O)c2c(-n3cccc3)sc3c2CCSC3)c(=O)nc1O 1301210863 GCESJESKFPZHDC-UHFFFAOYSA-N 427.511 1.892 30 10 IDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1301223128 NFZMTGAPYAQCNK-KSZLIROESA-N 440.614 1.496 30 10 IDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1301238953 INSSPTYEDQOHGU-UHFFFAOYSA-N 432.504 1.265 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1301362546 FUMHYSSWTRAGOC-ZBFHGGJFSA-N 435.575 1.918 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1301457805 BEIHDRINLHCJOH-BEFAXECRSA-N 427.571 1.438 30 10 IDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOCC2(CC2)C1 1301587950 ZEUOOVRPZKKZKJ-UHFFFAOYSA-N 437.591 1.851 30 10 IDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](OC)C1 1301593364 NFYCDFVNTLRCPY-AWEZNQCLSA-N 439.563 1.096 30 10 IDEE C#CCN1CCC[C@H](NC(=O)c2cc(I)ccc2-n2cnnn2)C1 1303557060 BFPUOOGUAUMMQM-ZDUSSCGKSA-N 436.257 1.094 30 10 IDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1304108898 AWUFREJOJMSSTK-OAHLLOKOSA-N 429.531 1.648 30 10 IDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CCN1CCOC 1306408330 APHUURCDAKEKHD-IBGZPJMESA-N 446.577 1.408 30 10 IDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 1313301389 DFMKPCLTQWTNOW-UHFFFAOYSA-N 445.520 1.649 30 10 IDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1314496163 NYONRZQYGBWRFR-UHFFFAOYSA-N 432.550 1.020 30 10 IDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1314965623 VXFGCFSKJTXEGS-AYOQOUSVSA-N 442.520 1.087 30 10 IDEE COC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1315949624 CRPLFLNBKDGQEJ-VQIMIIECSA-N 425.493 1.893 30 10 IDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1316350062 YIXNVAWJFIOQHL-QGZVFWFLSA-N 426.506 1.294 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1316527161 HTQNZUBLZNNJCM-ACJLOTCBSA-N 434.453 1.730 30 10 IDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1358918045 JLLLCIYSHSZUAD-OTWHNJEPSA-N 434.562 1.432 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(=O)C(C)C 1358946049 FZKIPBRRONUYIA-UHFFFAOYSA-N 431.566 1.470 30 10 IDEE C#CCN(c1nnc(C2CCC2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358962482 QNICUHMZWCIPMY-GOSISDBHSA-N 436.578 1.758 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1358987452 GXMHHRCFVBRPRW-UHFFFAOYSA-N 449.540 1.398 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC(=O)N(C)C)CC1 1359042645 OLWTXGJWGHHQJR-UHFFFAOYSA-N 436.560 1.952 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359131776 DYJLIFOKSWLDEQ-SFHVURJKSA-N 436.520 1.415 30 10 IDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1359255913 OMGUXLHUHLRPAZ-OAHLLOKOSA-N 432.550 1.723 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359296674 QJHCMEUTQXMEQG-HXUWFJFHSA-N 446.515 1.529 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1359300372 AMNWGYDNDLCNBL-IBGZPJMESA-N 445.612 1.079 30 10 IDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)C2CC2)CCOC1 1360338336 BSBQUNCQPCGEAL-QFIPXVFZSA-N 430.553 1.975 30 10 IDEE N#Cc1c(Br)cccc1OCC(=O)NCCNS(=O)(=O)c1ccccc1 1434938233 PNTYFCBHZLNOHG-UHFFFAOYSA-N 438.303 1.794 30 10 IDEE C#C[C@H](NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)c1ccc(Br)cc1 1436651596 QXNOQKWGVMKPJG-HNNXBMFYSA-N 441.285 1.807 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)Cc4ccc(C#N)nc4)C3)[C@@H]2C1 1455104493 DSAPGZPQNSJORS-KURKYZTESA-N 441.488 1.537 30 10 IDEE C[C@@H](CC(=O)N1CCC(NC2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1455800757 RXTUCQVCLHGPGB-HNNXBMFYSA-N 434.562 1.263 30 10 IDEE C[C@]1(C#N)CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CCO1 1456478373 GSKROSJTPNSJJS-URXFXBBRSA-N 432.480 1.641 30 10 IDEE Cn1nc(I)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1457537555 WLGPTHZZXMTXGG-JTQLQIEISA-N 445.261 1.610 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3F)C2=O)cc1 1463631060 GDYHEXPLIBHHDM-CQSZACIVSA-N 430.417 1.211 30 10 IDEE C=CC[C@@H](NC(=O)c1ccc(I)cc1-n1cnnn1)C(=O)OCC 1466783003 DQAWYOGCXIMKTE-GFCCVEGCSA-N 441.229 1.505 30 10 IDEE C#CCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1468613579 IQSVYPQMEWORAC-HNENSFHCSA-N 445.520 1.557 30 10 IDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCc3cnc4c(Cl)cnn4c3)C2=O)cc1 1478569445 XDVWAZAANMNVSC-GOSISDBHSA-N 437.891 1.897 30 10 IDEE C#CCN(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1479223279 XRPGNCJULWIVJD-HZMVEIRTSA-N 425.551 1.606 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1496764119 UWLOSFCBNVQSET-KUOYXJDGSA-N 443.552 1.815 30 10 IDEE COCC(C)(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1504545118 BBWSRABISVEQGH-HOTGVXAUSA-N 425.555 1.362 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCCS(C)(=O)=O 1505072630 LFDHYCJZERHAEF-BXWFABGCSA-N 443.545 1.659 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCOCC2)C1 1507555930 BWYDRLLAMDIWBL-INIZCTEOSA-N 441.623 1.794 30 10 IDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507627253 CYNKEABNUHOLRR-OAHLLOKOSA-N 430.559 1.724 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1507656478 WSAUSGISINXPHV-SFHVURJKSA-N 443.548 1.964 30 10 IDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1507732451 NHSTZMJAVXPQDT-UHFFFAOYSA-N 431.562 1.163 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(C)nn2C)CC1 1507740518 UMLQEUMYUBJNJF-UHFFFAOYSA-N 432.532 1.320 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NCC)CC1 1507803667 CJEPMEFRQNJYIB-XLIONFOSSA-N 445.568 1.233 30 10 IDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507968233 RAAUNASCFJWTFJ-LSDHHAIUSA-N 431.459 1.880 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1508167704 OTPYSMCLSBMQHN-UHFFFAOYSA-N 449.606 1.650 30 10 IDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCS(C)(=O)=O)C2CC2)CCOC1 1517927155 IDTFLRNVFJMBSZ-OAQYLSRUSA-N 445.545 1.636 30 10 IDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C#N)cc(C)n3)c2)CC1 1523624619 GPMLNMJDGIQFGK-UHFFFAOYSA-N 427.486 1.367 30 10 IDEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc(C)c1C#N 1531321137 NWHCJZJWGFKJMA-QGZVFWFLSA-N 447.538 1.893 30 10 IDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 1539072737 VNEHGYUYGXVQRF-MSOLQXFVSA-N 439.582 1.276 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1539446325 WPQWUBDDIAPOCL-GOSISDBHSA-N 440.552 1.651 30 10 IDEE C#CCSCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1539531310 VYZMFDUADLBQLL-LPHOPBHVSA-N 442.607 1.310 30 10 IDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1539751137 HHNADGBNAVVFBX-FGTMMUONSA-N 425.599 1.692 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC[C@H]1C)C1CC1 1540109038 NUIQNVCIKOAVSC-NUJGCVRESA-N 439.582 1.438 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540866218 HFTTUJVQZMBOOA-GJZGRUSLSA-N 435.550 1.514 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1540867389 UVLCMNWIVIFPFW-UHFFFAOYSA-N 437.548 1.666 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1540898458 KYLKOMCIOSVPKY-IBGZPJMESA-N 437.953 1.901 30 10 IDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CCCO)CC2)n1Cc1ccc(C#N)o1 1541926764 XKHFLQDXLDYZED-CQSZACIVSA-N 436.538 1.390 30 10 IDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1552871574 PGQYHQRTEYUBCV-LJQANCHMSA-N 446.577 1.408 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(Br)c(C)c2)CC1 1558073064 LAYPVPIDNGNSHA-UHFFFAOYSA-N 428.352 1.302 30 10 IDEE Cc1onc(CC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C#N 1558881048 OAGHPIHXYPILAR-KRWDZBQOSA-N 431.493 1.468 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(C(=O)OCC)cs2)s1 1565612599 VXJLJVVAASNCTG-UHFFFAOYSA-N 429.545 1.705 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1[N+](=O)[O-] 1587519969 CZEQLJQVGBFCMW-UHFFFAOYSA-N 432.433 1.971 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1587621387 SZXYKYUQNCBNFZ-HJPURHCSSA-N 436.516 1.674 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N(C)C 1588090236 UNTIUMKSVJRNLR-UHFFFAOYSA-N 436.541 1.766 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1588189184 FGCAPJREHVCLML-UHFFFAOYSA-N 438.351 1.554 30 10 IDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1ccnc1C 1588646099 GSOIBNXLMLVAJL-UHFFFAOYSA-N 449.563 1.743 30 10 IDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OCC)c2)CC1 1588743316 ZJFQVUXFCNHBFX-QGZVFWFLSA-N 446.577 1.091 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@H]2CF)CC1 1588763256 TYVDZXIUDSJNCX-PKOBYXMFSA-N 446.552 1.481 30 10 IDEE C#CCC1(O)CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 1588765672 LNOABHHWWOCNFC-QHCPKHFHSA-N 445.519 1.877 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CC)CC1 1588923480 ASLBQWOMEPZFPD-MOPGFXCFSA-N 441.580 1.069 30 10 IDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1589395248 SRTVSBPVCDBEEE-ZIAGYGMSSA-N 439.358 1.879 30 10 IDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1593695049 BNRUCCRDANBUQS-QGZVFWFLSA-N 449.581 1.203 30 10 IDEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1594913663 MHDLYZDFIPHTKF-SFHVURJKSA-N 426.926 1.779 30 10 IDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1595428522 SELCVABZIGUKMP-UHFFFAOYSA-N 430.459 1.827 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1595562077 NALQZUWLKMGTAA-UHFFFAOYSA-N 436.520 1.185 30 10 IDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Oc2ccccc2)C1 1595569360 FWRVFDQMALMVSI-IBGZPJMESA-N 438.532 1.751 30 10 IDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)cc1 1595613670 GUBCTGLXUJISIA-AEFFLSMTSA-N 445.545 1.466 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1596830871 FZFAGQYSWHSICA-RDJZCZTQSA-N 436.582 1.787 30 10 IDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1596985716 WEHQNGQIZNOHGY-SJORKVTESA-N 426.498 1.981 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3(O)CCN(C(C)C)CC3)CC2)c1C#N 1612469745 FGDMEYXAYCTBPU-UHFFFAOYSA-N 441.584 1.062 30 10 IDEE Cc1ccc2c(c1)NC(=O)N(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)S2(=O)=O 1614787119 HWWMCHIATIVSRH-UHFFFAOYSA-N 444.473 1.048 30 10 IDEE COCc1nocc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1619678596 PTPYWXKNYBLDMY-HNNXBMFYSA-N 434.522 1.493 30 10 IDEE C=CCC[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1623969995 YDIAEYBQQCVCMG-BEFAXECRSA-N 426.535 1.594 30 10 IDEE C=CCN(CC(=O)OCC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1630850975 GCEFCDYMMQVXOY-BZUAXINKSA-N 444.550 1.234 30 10 IDEE CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 1632458183 VLQMLNPVGYWBKD-HNNXBMFYSA-N 447.517 1.855 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)c1 1633603713 KDOIUPCNSTWISI-UHFFFAOYSA-N 440.521 1.886 30 10 IDEE C[C@H](CC(=O)NCc1cc(O)nc(C2CCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 1634469425 RLIREPXQDSAUHA-GFCCVEGCSA-N 429.502 1.583 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)CC1 1636480415 QHBVEPSYWIRSMR-AWEZNQCLSA-N 428.352 1.240 30 10 IDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1636660673 MBYQBOHDEYWBTP-MRXNPFEDSA-N 435.502 1.372 30 10 IDEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1645997837 QBZQJECRQRCHRM-OAVHHTNSSA-N 440.547 1.739 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1 1651779002 ZGBVGYUHNYIVRB-LJQANCHMSA-N 449.554 1.219 30 10 IDEE C#CCN1CCC[C@H](NC(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1651805924 XKHVWTZITGJRND-INIZCTEOSA-N 427.567 1.015 30 10 IDEE N#CCCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1652879317 MASBJGDUJIKGQN-UHFFFAOYSA-N 438.575 1.893 30 10 IDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCOCC1 1663235922 SUVFFUZJUFFJFD-LJQANCHMSA-N 426.560 1.568 30 10 IDEE CCOC(=O)c1c(NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)c(C#N)cn1CCOC 1668605449 CPTKXQHZOHIAQG-ZDUSSCGKSA-N 426.495 1.081 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC3CCCCC3)cc2)CC1 1683737071 NQOFIHIGNAEJRX-UHFFFAOYSA-N 434.562 1.693 30 10 IDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690469591 UZWDWVSUYLEFDV-UHFFFAOYSA-N 426.587 1.633 30 10 IDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)OC)C1 1690507430 MHIBWOVDTQURIJ-HNNXBMFYSA-N 431.493 1.988 30 10 IDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690512468 YSACLVXFUXLHJL-OAHLLOKOSA-N 430.475 1.790 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1690670003 VDXYFHZSPMJCGM-OAHLLOKOSA-N 426.477 1.287 30 10 IDEE CC1(C#N)CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1692849343 WJLIPEGVDHUBJP-QZQOTICOSA-N 446.515 1.920 30 10 IDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1694423966 HTXXNGFAHOEXJX-MRXNPFEDSA-N 426.521 1.947 30 10 IDEE CCCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 1695440419 ONXBIGRHIWLDDT-JKSUJKDBSA-N 449.556 1.709 30 10 IDEE CCN(CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695605490 WKLFBAXCPKPPDJ-HNNXBMFYSA-N 440.552 1.682 30 10 IDEE CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696700831 QUCOBJQXOIWAGP-QQMHEVNUSA-N 438.488 1.650 30 10 IDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1=O 1696885688 OIMAWTXYUGEYNO-UTKZUKDTSA-N 442.545 1.308 30 10 IDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1698490840 JQTVQECCFUNJNU-GVDBMIGSSA-N 448.321 1.976 30 10 IDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(CC)CC)N(C)C 1705551317 LMYWOZXNYFSQJP-ZWKOTPCHSA-N 440.614 1.047 30 10 IDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705566206 MIDXMVAQZNSSPA-SJORKVTESA-N 432.550 1.120 30 10 IDEE C#CCN(c1nnc(CC2CCCC2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1705569152 CSCVPYBANPRQMD-YMGMXPECSA-N 438.619 1.549 30 10 IDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1705605704 BPLIVBYEVALDOP-UHFFFAOYSA-N 428.356 1.940 30 10 IDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1CCN(CC(F)(F)F)CC1 1705620742 FCPAHWCVWPBQGQ-UHFFFAOYSA-N 444.502 1.777 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)C)n1 1705632172 WTKRCFZZJBDUHH-SFHVURJKSA-N 429.525 1.091 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C/C=C/c2ccccc2)CC1 1705639349 MEDFRNKDHROZJT-AQDCRGGLSA-N 425.558 1.649 30 10 IDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1705755739 XSMQYKMNRKCHCV-PBHICJAKSA-N 448.014 1.697 30 10 IDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNS(=O)(=O)CC)CC1 1705768199 XWMYUNUABFREQU-UHFFFAOYSA-N 436.538 1.492 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 1705904537 RGLBBKWRZUOVCI-CVEARBPZSA-N 447.540 1.627 30 10 IDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NC(C)C)cc(OC)c1OC 1711647541 BZHBNKVJNIQJMM-NRFANRHFSA-N 446.483 1.937 30 10 IDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722365740 NUXRRBWUTAZNNK-DENIHFKCSA-N 443.573 1.706 30 10 IDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1722367918 PBRSTLMLBCPALR-IRXDYDNUSA-N 433.534 1.256 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1C(C)C 1722429254 OZVTVKSZAAWFDM-QRVBRYPASA-N 438.594 1.717 30 10 IDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)N2CCOCC2)CC1 1722438912 HHIVMIKGJXQWEV-UHFFFAOYSA-N 440.567 1.874 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCCCCC2=O)CC1 1722448939 DIYDDACCIJTPGZ-UHFFFAOYSA-N 440.592 1.989 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1722727007 DNYXZMRHFSVXDQ-OWCLPIDISA-N 430.596 1.263 30 10 IDEE CC(C)N1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1723541637 CRRUGHZZJLITLJ-UHFFFAOYSA-N 442.589 1.621 30 10 IDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)cs1 1725410574 HIWABXSKXPORCC-ROUUACIJSA-N 431.566 1.209 30 10 IDEE 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C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCOCC2)CC1 1740710431 XDQATMXWEASCNF-UYAOXDASSA-N 444.580 1.064 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740749737 DHDXBRCLYDZNEA-MSYCTHLASA-N 446.596 1.699 30 10 IDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1740952287 YUKDNZGMMZFPLS-AWEZNQCLSA-N 437.497 1.094 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)CCOCC2)C1 1740972605 KJDQKLCVKMJQSG-HZPDHXFCSA-N 427.571 1.486 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)NCC(F)F)C1 1740977344 GDPGHCAQHQLYFJ-OAHLLOKOSA-N 449.458 1.879 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2c[nH]nc2C)C1 1740982572 VDEMQYRNNUHSGT-ZWKOTPCHSA-N 434.566 1.626 30 10 IDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1741006216 CWDFHYNOUFMXQI-HZPDHXFCSA-N 429.612 1.814 30 10 IDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1742476963 ZWGBYYBRHZCULJ-NRFANRHFSA-N 443.529 1.435 30 10 IDEE 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C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)n[nH]2)c1C 1848668655 WQUBRQIQTYLJGW-UHFFFAOYSA-N 438.467 1.884 30 10 IDEE Cc1nc(N2CCC(C(=O)NCC#CCN3CCOCC3)CC2)cc(C(F)(F)F)n1 1850691897 ZHODTYMSDMSODM-UHFFFAOYSA-N 425.455 1.472 30 10 IDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H]1CCN(C)C1=O 1850863572 UCRWUKFGGQXENL-FQEVSTJZSA-N 433.574 1.949 30 10 IDEE CS(=O)(=O)CCCN1CCN(C(=O)c2cccc([C@H](C#N)c3ccccc3)n2)CC1 1851524379 XAWNANTWDVCAHS-LJQANCHMSA-N 426.542 1.930 30 10 IDEE C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCN1CCC(C#N)CC1 1853038299 QKWNOGURWJIWOJ-ZDUSSCGKSA-N 443.367 1.468 30 10 IDEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@@H](C)NCCn3nnc4ccccc4c3=O)C2)CC1 1853572697 OEKIHNHTFPJJMI-IAGOWNOFSA-N 431.562 1.530 30 10 IDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@H](CN3CC(C(=O)N4CCCC4)C3)CC2=O)c1 1856111750 UAETXKFVVZGMEP-INIZCTEOSA-N 428.920 1.949 30 10 IDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCN(CC4CCC4)CC3)ccc21 1856485432 RBHGUFKKJRAJFA-UHFFFAOYSA-N 430.530 1.512 30 10 IDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)[C@@H](C)C2=O)CC1=O 1857468570 FYHVDFRCODQIOL-GJZGRUSLSA-N 429.908 1.582 30 10 IDEE C#CCOc1cn(CCCn2ccnc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871008942 WCJWXVDHMMECEK-UHFFFAOYSA-N 441.513 1.407 30 10 IDEE COC(=O)c1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874341270 GALUDQQTJGUAJW-BTZNOAQDSA-N 431.518 1.756 30 10 IDEE C[C@@H](C#CC(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C 1902007830 URGTVYABBYUJHY-BTYIYWSLSA-N 425.526 1.781 30 10 IDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2010395356 IQKFSWCDJMLRSY-AWEZNQCLSA-N 425.335 1.712 30 10 IDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(C#CCO)cc1F 2145937719 JVKMDBDIDPIGJZ-UHFFFAOYSA-N 430.457 1.988 30 10 IDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#CCN)cn1 2164488998 ZOMMLZXSHHVPMI-HXUWFJFHSA-N 430.461 1.158 30 10 IDEE Cc1cnc(NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2232305809 HWYARCHVSKMLDY-BRWVUGGUSA-N 449.357 1.442 30 10 IDEE CC1(C)OB(c2cnc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c(Cl)c2)OC1(C)C 2247918024 HQHGNOCVNIAYDL-UHFFFAOYSA-N 433.623 1.537 30 10 IDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2248478953 ADZZKKXGNMCWBT-NWDGAFQWSA-N 438.359 1.891 30 10 IDEE Cc1c(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255535984 BUUAWBLOUFRANE-KBPBESRZSA-N 434.346 1.671 30 10 IDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2255827059 GKMMTHRUZAXZCT-YEJXKQKISA-N 432.330 1.696 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255841650 GBOHRXLHCBKXQX-GJZGRUSLSA-N 432.330 1.951 30 10 IDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2255855007 JOIASCUFHVBCPA-UONOGXRCSA-N 436.314 1.679 30 10 IDEE C=C(CN(C)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O)B1OC(C)(C)C(C)(C)O1 2256674703 LMTVGGCKGJZNHC-VFNWGFHPSA-N 440.346 1.365 30 10 IDEE Cn1cc(C(=O)NC[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2259345333 GBVQTOVQBOOOEL-HIFRSBDPSA-N 434.346 1.752 30 10 IDEE C[C@H]1[C@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCCN1C(=O)OC(C)(C)C 2267115798 LOBQURWKBVIWTC-UONOGXRCSA-N 449.361 1.632 30 10 IDEE Cn1nc(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267130260 MEWXSDCOECMTKN-OFQRWUPVSA-N 446.357 1.705 30 10 IDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2267265132 AWKSJFXGUUZQBC-GOEBONIOSA-N 447.341 1.650 30 10 IDEE CCc1nn(C)c(C(=O)N(CC(=O)NC)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2267507232 KPZFRDOSQZFOQX-UHFFFAOYSA-N 440.353 1.670 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C[C@@H]2C1 2267882197 PACJFTXXSOCHKQ-HUUCEWRRSA-N 444.341 1.715 30 10 IDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 2296610768 SCQJULVQQSIOJD-LJQANCHMSA-N 428.464 1.920 30 10 IDEE COc1cc(C=NNC(=S)NCCN2C(=O)CSC2=O)cc(Br)c1O 2330434301 JWIWPFDUDCCZJB-UHFFFAOYSA-N 447.336 1.657 30 10 IDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc([N+](=O)[O-])cc1 2330784363 ZZRNURSYYUSCMD-UHFFFAOYSA-N 434.478 1.996 30 10 IDEE CC(=O)N[C@@H]1C(=O)N=C(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)NC1=O 3659172 GEMYSNLUBNJLMH-UHFFFAOYSA-N 447.542 1.468 30 10 IDEE C=CCn1c(COC)nnc1SCC(=O)Nc1ccc(S(=O)(=O)NCC)cc1 20426142 BGSAPIUQSWPFHC-UHFFFAOYSA-N 425.536 1.640 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 22845415 XPLQOCWXILGGBM-LJQANCHMSA-N 427.482 1.574 30 10 IDEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)c1 59878750 NRXHKYVPUVSFDZ-IFRROFPPSA-N 446.493 1.880 30 10 IDEE COc1ccccc1CN1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@H]21 254824683 JDLUBAPAJFFQFJ-UKRRQHHQSA-N 426.516 1.547 30 10 IDEE N#C[C@@H](Cn1cnc(I)c1I)NC1CC1 308807246 PBKZFZLHEIOHRS-ZETCQYMHSA-N 428.015 1.736 30 10 IDEE C[C@@H](C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)n1cnc(C#N)n1 409745190 ZCAGREFVUKSDJG-ZDUSSCGKSA-N 426.458 1.618 30 10 IDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)n(Cc2ccccc2)c1C 434790669 XLPALMQODNVAAQ-HSZRJFAPSA-N 434.500 1.637 30 10 IDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1Cl 435713307 CNDHBQRJTGIEEM-INIZCTEOSA-N 443.956 1.832 30 10 IDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cnc3ccccc3c2)CC1 444865845 SCCQTWKZHJCTIN-UHFFFAOYSA-N 442.522 1.802 30 10 IDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cn1 461745634 KMLPYNWYMNOZHJ-KRWDZBQOSA-N 430.424 1.902 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 461844637 TWNZTRWZNDHWRM-IAGOWNOFSA-N 427.571 1.583 30 10 IDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@@H]1CCCO1 470447680 CWISXWUHQIODFI-AWEZNQCLSA-N 447.919 1.687 30 10 IDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 497576991 XIPWOHSBVKTSNN-UHFFFAOYSA-N 444.513 1.150 30 10 IDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508722446 DIBFLUUHQVZFBQ-UHFFFAOYSA-N 432.488 1.335 30 10 IDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)c1 532900766 SUMUNWLMJBWNJF-NRFANRHFSA-N 441.576 1.415 30 10 IDEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(CN4CCC[C@@H]4C(N)=O)c3)CC2)n1 544881332 FFCUXUKPMSHGJK-HXUWFJFHSA-N 433.516 1.757 30 10 IDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)(C(=O)OCC)CC1 549694158 XKJZQGNJSGRWKW-MRXNPFEDSA-N 440.566 1.552 30 10 IDEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)c1 551253914 PQBAXBYRZLYYAC-UHFFFAOYSA-N 429.484 1.163 30 10 IDEE C[C@@H](NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1(S(C)(=O)=O)CC1 558147926 MMQKACULFPJQPG-CYBMUJFWSA-N 433.490 1.604 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 570829502 LFYHUCIQZTVLSU-IBGZPJMESA-N 435.532 1.277 30 10 IDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C3CCCC3)cc2)c(=O)n1C[C@@H]1CCCO1 580807423 IPUUNEKTCVYFLR-IBGZPJMESA-N 437.565 1.995 30 10 IDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4COCCO4)n3C[C@H]3CCCO3)CC2)c1 583825415 OMBBVWNUFWXDTK-MSOLQXFVSA-N 425.493 1.138 30 10 IDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 609213424 ZWJYYGBSYBPLPU-UHFFFAOYSA-N 434.544 1.942 30 10 IDEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C)c2=O)cc1[N+](=O)[O-] 609311292 GCHHNZIHXRXTAE-UHFFFAOYSA-N 439.424 1.889 30 10 IDEE N#Cc1ccc(NC(=O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1Cl 615454939 HDMIZRPJRIZTGX-UHFFFAOYSA-N 433.921 1.620 30 10 IDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 729331700 GAKHWJAVPJOROB-GOSISDBHSA-N 438.571 1.053 30 10 IDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1csc(N2CCCC2)n1 735520899 RJVJIOHLTUGDHC-UHFFFAOYSA-N 447.586 1.921 30 10 IDEE COC(=O)[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)c1ccc(C#N)cc1 740224154 FSNRBBFXQNKPSY-GOSISDBHSA-N 440.433 1.936 30 10 IDEE C#CCN(C(=O)c1n[nH]c2ccc(I)cc12)[C@H]1CCS(=O)(=O)C1 742573011 JMNANCATLHKXFL-NSHDSACASA-N 443.266 1.430 30 10 IDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2ccn(C)c2)C1=O 748095546 NLJXFPBIOLJGKV-NWIBBQCFSA-N 442.589 1.531 30 10 IDEE CS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 769814238 HJMIMHUQCFLQJK-JQIJEIRASA-N 442.291 1.109 30 10 IDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 769822268 GZOITVNWTASTMZ-UHFFFAOYSA-N 431.514 1.465 30 10 IDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)(C)CN(C)C)c2=O)cn1 772315036 QUJCPKDTBKAGDZ-UHFFFAOYSA-N 439.585 1.667 30 10 IDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@H](CO)c2cccnc2)cc1 806220202 VIJCHSICDZZZBE-UAFKWENTSA-N 431.518 1.792 30 10 IDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 813562060 SSXOGSTXUDCPHR-DZGCQCFKSA-N 426.502 1.880 30 10 IDEE COCc1nc(Cl)cc(NN=Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)n1 814975234 YWICLKASVWRANL-UHFFFAOYSA-N 449.895 1.969 30 10 IDEE COc1cccc(/C=C(\C(=O)N2CCN(c3ncccc3C#N)CC2)n2nnnc2C)c1 818091788 LYRRMMRVJMVYIL-XSFVSMFZSA-N 430.472 1.604 30 10 IDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C[C@@H]1CCCO1 917768315 JRZVBLKMTDCYEM-INIZCTEOSA-N 443.573 1.070 30 10 IDEE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1 1084092841 USXDSOIDEJFWCZ-UHFFFAOYSA-N 432.514 1.516 30 10 IDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1136245408 MOQUZFYGUBKAEQ-UHFFFAOYSA-N 439.490 1.303 30 10 IDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)C1 1141235732 XTYVVDADJVSLIE-LBPRGKRZSA-N 443.305 1.967 30 10 IDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnn(C[C@H](O)CO)c2)cc1 1141967125 QPCBRPCTGYUTJG-VSGPLIKPSA-N 449.533 1.082 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCO[C@H]3CC3(F)F)nnc12 1161625035 XFMBPDUQEJHBPM-AWEZNQCLSA-N 435.456 1.863 30 10 IDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C[C@@H](O)COc2ccccc2C#N)C1 1175069283 CODFWIGTLFNZES-QGZVFWFLSA-N 430.505 1.109 30 10 IDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)C[C@@H]3CCCN3C)nnc12 1183733353 JMBSLZXODXPIJT-HNNXBMFYSA-N 426.546 1.875 30 10 IDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)c1 1208085201 BSDPDLYYYHJGBZ-UHFFFAOYSA-N 435.487 1.340 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 1223197286 LHKLMTOVMQWPRO-NRFANRHFSA-N 426.542 1.765 30 10 IDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cc2ccccc2)C1 1286341868 JJZZSDLYVBJMPI-IEBWSBKVSA-N 431.562 1.750 30 10 IDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286396220 WCQFOJSZYJUIEF-WOJBJXKFSA-N 442.589 1.231 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2OCC[C@H]2C)n1 1286470750 CJKGYWXXPWXTDA-YLJYHZDGSA-N 436.520 1.643 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)noc2C)CC1 1286490960 YOIMXUNNWGPRJI-GOSISDBHSA-N 439.520 1.102 30 10 IDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 1286505115 YXAZAIJPDOVGGV-UHFFFAOYSA-N 426.550 1.664 30 10 IDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1286580846 BVFSNMSUHCCQRC-QGZVFWFLSA-N 441.598 1.973 30 10 IDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](C)C1 1286773502 PMGPOHAFDAKIPH-KSZLIROESA-N 441.598 1.686 30 10 IDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)C[C@H](C)C1 1286786917 LVQYBKMRPJAQKD-HOTGVXAUSA-N 435.532 1.977 30 10 IDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286799215 UCAOKXMFJMPTQJ-KRWDZBQOSA-N 449.577 1.898 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1286945733 NKUACPJVRDXMPN-SFHVURJKSA-N 441.517 1.488 30 10 IDEE CC1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1289024555 VKZIGJNEMUCTAZ-STGLLQLASA-N 427.509 1.382 30 10 IDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1291324496 XTWZZNSZLBCAFO-NBCNXNJRSA-N 427.505 1.884 30 10 IDEE CN1C(=O)NC2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)C1=O 1293828922 ZBEBUZCJWVYVOU-CYBMUJFWSA-N 429.864 1.107 30 10 IDEE COc1cc(NS(=O)(=O)c2cc(C(=O)NCC#CCO)ccc2OC)cc(OC)c1 1297017504 XWPOOFDUQZXKKV-UHFFFAOYSA-N 434.470 1.239 30 10 IDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1299321855 JQDFMHCACKXTEJ-MAUKXSAKSA-N 448.549 1.139 30 10 IDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1300495582 INXDKYWXAIPSKO-RTBURBONSA-N 444.557 1.774 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1300578710 GUFIHCKNNVDCDV-IAGOWNOFSA-N 434.491 1.048 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)OC)CC1 1300719193 QXGCMVKQNJRVQV-MRXNPFEDSA-N 441.532 1.963 30 10 IDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1300929181 YNNJOPOVUWFNAI-LLVKDONJSA-N 433.460 1.700 30 10 IDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301150416 ROBCWGQHMJLESO-GDBMZVCRSA-N 445.520 1.968 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1(S(C)(=O)=O)CCCC1 1301809763 SPMOVLILZHYLNT-MRXNPFEDSA-N 425.555 1.853 30 10 IDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)O2)[C@H]1C 1312627650 WUOUKYIHFVEQMP-CNVCQNNASA-N 426.517 1.931 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(N(C)C)CCSC1 1316284895 FKBCFAAARWQKTK-XAMWDVODSA-N 438.573 1.881 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)C1 1316529292 ABQGXJBJLGUHNC-BEFAXECRSA-N 441.529 1.208 30 10 IDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCSCCCO)c1 1316532150 UEZHPYOXQARCQP-MJGOQNOKSA-N 440.573 1.895 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCO[C@@H]1CCOC1 1359063670 APEGJEITRWOTPG-GPMSIDNRSA-N 425.555 1.076 30 10 IDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 1359208063 FCTWVPAPWIQJTH-MRXNPFEDSA-N 426.587 1.156 30 10 IDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(S(=O)(=O)NC)c1 1359243359 OSDHCXYOYXWFGG-UHFFFAOYSA-N 429.550 1.718 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1359294536 WTUFLUSTUXUMLU-CQSZACIVSA-N 448.474 1.941 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 1359305795 NAHLVRMIZNNJMS-CVEARBPZSA-N 434.541 1.877 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359326936 NKEIUXWXASNGEW-ZWKOTPCHSA-N 436.582 1.803 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359329137 ZTKXGTCORKIHOW-HNNXBMFYSA-N 428.518 1.084 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC(C)(C)C1 1359336250 JNZBZAVCKXSWNM-HOTGVXAUSA-N 444.623 1.935 30 10 IDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359337440 SGXAMIRACRNZSQ-RLFYNMQTSA-N 445.611 1.192 30 10 IDEE CC(C)NC(=O)c1nnc(N(C)C2[C@@H]3CCC[C@@H]23)n1CCN/C(O)=C1\N=CC=CC1=O 1360163637 LGKQTBGHAREWFY-MHXCMXBESA-N 427.509 1.177 30 10 IDEE CO[C@@H]1CCn2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)nc2C1 1441242794 OJYOIIVQWSNZCD-MRXNPFEDSA-N 437.479 1.986 30 10 IDEE C#CC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)CC1 1453840481 OQMKPVPFWGAORO-KRWDZBQOSA-N 447.557 1.057 30 10 IDEE COC(=O)[C@H]1CN(C(=O)c2cccc(C#CCO)c2)CC12CN(C(=O)OC(C)(C)C)C2 1472079500 WPODSMMHDSQOKG-GOSISDBHSA-N 428.485 1.513 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnn3[C@@H]3CCOC3)CC2)cc1 1472137581 NCKATEFWOKTEHU-QGZVFWFLSA-N 429.502 1.756 30 10 IDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCCS(C)(=O)=O 1505072633 LFDHYCJZERHAEF-TXPKVOOTSA-N 443.545 1.659 30 10 IDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507632986 RBOCVCBGOAJQID-PKOBYXMFSA-N 432.521 1.986 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1507641564 HMYVFUDGHFBXKE-SIKLNZKXSA-N 428.533 1.935 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)NC(=O)OC(C)(C)C 1507651884 CMSDISUJHCZTQE-INIZCTEOSA-N 449.577 1.556 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N(C)C 1507653645 PGHZRRMJYOQBJR-IAGOWNOFSA-N 431.587 1.617 30 10 IDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1507658801 GXDZLFTVGFLTIP-CALCHBBNSA-N 438.536 1.781 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1507711833 ZTILJRZMFUNMEH-LJQANCHMSA-N 443.523 1.892 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC=CO2)n1 1507717774 XWIKTJRRZJOMRB-RTBURBONSA-N 439.520 1.405 30 10 IDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1507961590 CNXLLZPSJJLPPJ-INIZCTEOSA-N 433.557 1.452 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1508077250 LQJPXFJJPGNVKI-UHFFFAOYSA-N 449.519 1.389 30 10 IDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1508078944 LSJWOYPGMQZUAM-QGZVFWFLSA-N 428.518 1.132 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CC(N)=O)CC1 1508090710 IKPRKPZUMLEIRR-UHFFFAOYSA-N 426.521 1.560 30 10 IDEE CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1508870997 CYNFDQXJIQJAPG-IRXDYDNUSA-N 444.540 1.957 30 10 IDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1511855467 SVDJLTQLZPPZLT-INIZCTEOSA-N 437.426 1.385 30 10 IDEE CCc1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513869530 LWXNEKOSIKZJCU-YVHXKWHWSA-N 440.479 1.604 30 10 IDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCS(C)(=O)=O 1517107165 GGQUWXZMTNYJMC-UHFFFAOYSA-N 430.534 1.343 30 10 IDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)Cc2ccc(C#N)nc2)c1 1525388871 VAVFGQKNPHFBTB-UHFFFAOYSA-N 437.319 1.661 30 10 IDEE CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537005633 KQHIOBJXMSLOKJ-CSODHUTKSA-N 433.530 1.724 30 10 IDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1539015848 WEWSNXKOQVWXKN-ZBFHGGJFSA-N 437.591 1.978 30 10 IDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1539115893 IACRBIGRCXJASY-IRXDYDNUSA-N 436.516 1.846 30 10 IDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1539213023 ZTSGXIQXMFBVAP-VGOFRKELSA-N 441.557 1.359 30 10 IDEE C#CCN(c1nnc(CCc2ccccc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1539229850 IUGSZMPDHYYFKR-ADXZGYQBSA-N 448.614 1.459 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1539231115 OOVRZXDYVSDVFX-JKSUJKDBSA-N 433.534 1.663 30 10 IDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1539231650 UWNPZIPQBVYUCA-GBESFXJTSA-N 449.577 1.015 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ncn(C)n1 1539251404 FQEBYSDHAKJBPH-UHFFFAOYSA-N 440.305 1.966 30 10 IDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN1S(C)(=O)=O 1539253018 KOFSUCIBSVFQPN-LJQANCHMSA-N 448.552 1.990 30 10 IDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(N)=O)c1 1539334280 YSDIBAOEJGPQMZ-UHFFFAOYSA-N 445.527 1.515 30 10 IDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(CC(C)C)c2C)CC1 1539428910 XSHNTKPUVSHMRW-UHFFFAOYSA-N 426.569 1.381 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H](C)C(=O)NC 1539645425 NSCVWUFWVCRQAA-VMXHOPILSA-N 435.569 1.802 30 10 IDEE CN1CCN(C(=O)C2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)CC1 1543916642 FDQKEEUZVZHWOX-UHFFFAOYSA-N 433.350 1.876 30 10 IDEE CC[C@H](C)c1nnc(N2CCN(CCOC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1545566551 LORMJZXGZKJSQH-MXLIYFDZSA-N 431.541 1.086 30 10 IDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCOCC1 1545928480 BJNSKCMTYFBRAZ-KRWDZBQOSA-N 433.557 1.036 30 10 IDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1554164945 CHBDYWSTSMGQMA-ZWKOTPCHSA-N 442.545 1.562 30 10 IDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C[C@@H]1C 1554559329 XXOTTXHIHCPDPB-KSFYIVLOSA-N 440.504 1.899 30 10 IDEE Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(I)n1 1556132018 BUBFALROAOCFOJ-ONGXEEELSA-N 445.261 1.514 30 10 IDEE CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633707 IENBALGFVODPMW-KNVOCYPGSA-N 433.321 1.012 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](Oc3ccnc(C(=O)NC)c3)C2)c1 1559958557 YZBOZVFXPGNGIW-IBGZPJMESA-N 435.484 1.614 30 10 IDEE Cc1ccc(C(=O)/C=C\C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1 1566140559 AJWZVOXFQLSJFL-KTKRTIGZSA-N 434.452 1.866 30 10 IDEE C[Si](C)(C)C#CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1584145685 QQNWYLZWABDZOC-WBVHZDCISA-N 429.014 1.851 30 10 IDEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2ccccc2Br)[C@H]1c1nccn1C 1586862170 BVRIZTRWEMEKDU-PVAVHDDUSA-N 446.305 1.852 30 10 IDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(C4CCC4)C3=O)CC2)cc1 1587483160 ULRIMMQJWGRQDK-IBGZPJMESA-N 430.530 1.229 30 10 IDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1588054403 NPWBGEQKEIWOCV-HKUYNNGSSA-N 430.530 1.900 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC 1588083357 FNCWSKPOLKDYJS-QGZVFWFLSA-N 429.546 1.717 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CCCNC(C)=O)CC1 1588947084 KYNQICQYFCZOCK-UHFFFAOYSA-N 440.523 1.500 30 10 IDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1589404005 FJWZVLLHZRTHRB-HNNXBMFYSA-N 441.374 1.339 30 10 IDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1593660716 STGYWAZDTNMNDT-QUCCMNQESA-N 443.596 1.356 30 10 IDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1594004282 ZSZBRFYIUFTVCZ-ULQDDVLXSA-N 439.944 1.582 30 10 IDEE C=CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(=O)NC)CC1 1594203049 XXHQRMCQNXAOPN-UHFFFAOYSA-N 446.577 1.734 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595544597 KRDCBAVXJKXBMO-IBGZPJMESA-N 444.580 1.703 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1595562188 PTWYHPNTNYUVJB-IBGZPJMESA-N 440.548 1.588 30 10 IDEE CC(C)N1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)CC1 1608067502 GSUDYHBTVDDAQJ-UHFFFAOYSA-N 443.596 1.766 30 10 IDEE CC(C)NC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1610081605 YMLDBBOCEFFWRK-GOSISDBHSA-N 438.536 1.290 30 10 IDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)c1 1613398974 OVWAIUXBSSHJET-CYBMUJFWSA-N 433.515 1.139 30 10 IDEE C=CC1(CC(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1621639026 BBFUUBDEIOKPQV-QGZVFWFLSA-N 443.610 1.767 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)nn1 1622441451 MIEDYIBOEMNUQJ-OALUTQOASA-N 449.533 1.310 30 10 IDEE CC(C)C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)NCCN(C)C 1624463251 KEHTTYSRIPRRKB-KRWDZBQOSA-N 439.354 1.908 30 10 IDEE C#CCN(C(=O)N[C@@H]1CCc2nc(COC)nn2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1632969221 DFLPRAGONRRMPJ-MRXNPFEDSA-N 446.552 1.784 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)s1 1637919260 POTWENOLBMXHIB-WMZOPIPTSA-N 441.619 1.762 30 10 IDEE CCOCn1nc(C)c(C[C@H](C)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 1638688734 FQANVTDXDDREON-HNNXBMFYSA-N 427.553 1.935 30 10 IDEE COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)cc1 1640264418 BDNMRHLAXKYLFJ-KRWDZBQOSA-N 428.514 1.814 30 10 IDEE C#CCOCCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1642785798 VFOZZUQELLXTBD-MSOLQXFVSA-N 434.537 1.421 30 10 IDEE COC(=O)c1cccc2c1OCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1645836993 NHTKZZPKDCOQSN-AWEZNQCLSA-N 443.481 1.433 30 10 IDEE N#Cc1cnn(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1N 1647920484 LZSNADVSFVEDFY-SFHVURJKSA-N 425.445 1.932 30 10 IDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1652926348 WEVQXUSRAYEWGQ-UHFFFAOYSA-N 442.921 1.743 30 10 IDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1654141360 CGEKFJXKILIFML-IUCAKERBSA-N 427.317 1.902 30 10 IDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2nccc(Br)c2C1 1654653747 QMEZUTVDIHGNPR-UHFFFAOYSA-N 435.303 1.468 30 10 IDEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc21 1660071920 JJSKENNPLAUSCT-UUPHZHHOSA-N 432.502 1.351 30 10 IDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1673802814 WRIWABYKKGHXHO-KSZLIROESA-N 436.553 1.831 30 10 IDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1689985800 BUEVQPIPKJKAPK-KRWDZBQOSA-N 449.552 1.289 30 10 IDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCOC(F)F)CC1 1690113220 CXZGEMRJNKONOR-HXUWFJFHSA-N 427.496 1.703 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN2CCCO)CC1 1690146720 UZLHMSUFXXYUNF-FQEVSTJZSA-N 444.624 1.679 30 10 IDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690299600 YVLXSEDYBSNVTO-VMXMFDLUSA-N 446.596 1.567 30 10 IDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690308120 BQVRSMYBJGKINI-KRWDZBQOSA-N 434.566 1.870 30 10 IDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690577282 FVELGWMIFUIHAO-BEFAXECRSA-N 438.575 1.586 30 10 IDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1690749938 UWGPDZWDGAKVCU-UHFFFAOYSA-N 433.582 1.354 30 10 IDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)CCOC1 1692590097 BMBKGJNRFKQHOB-XMSQKQJNSA-N 440.504 1.195 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1692662963 NALOCLKNCOSMMV-MAUKXSAKSA-N 441.511 1.992 30 10 IDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1692786134 ZWDYPTAFWFNKQH-STQMWFEESA-N 432.497 1.443 30 10 IDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1698117974 NAALLDTUFLOJAQ-KSFYIVLOSA-N 426.521 1.988 30 10 IDEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1698424860 GUBVXORRQPIACH-LJQANCHMSA-N 435.575 1.556 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1705599491 ZWBHHUFISJBJMS-MRXNPFEDSA-N 429.550 1.038 30 10 IDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCOCC1 1705600317 UYNMBVWDCSFYJF-FQEVSTJZSA-N 431.544 1.700 30 10 IDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705659550 ZXEHXZIQZHTFJK-UHFFFAOYSA-N 441.605 1.662 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1705700676 XFBYOYFJXJOWMJ-MJGOQNOKSA-N 446.577 1.711 30 10 IDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1705894402 XOHRUUNMOZMLRM-RDJZCZTQSA-N 427.571 1.438 30 10 IDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 1705912029 XDVQNKLFBXEIMK-HXUWFJFHSA-N 449.515 1.690 30 10 IDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705944041 SSPMHWYPEIMFKT-IRXDYDNUSA-N 431.566 1.559 30 10 IDEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1711232596 HRBUHUHHSOCAPT-UHFFFAOYSA-N 438.532 1.928 30 10 IDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722323149 BGDDICGWRPTORQ-QGZVFWFLSA-N 449.964 1.898 30 10 IDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722332255 HCCLDAHLTFJGIP-QGZVFWFLSA-N 429.550 1.019 30 10 IDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722340212 QXOGQYZNKDHUHQ-IAGOWNOFSA-N 428.489 1.639 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCC1 1722373222 FYRRDUOKUUQINZ-HSZRJFAPSA-N 427.549 1.794 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCOCC2)CC1 1722441908 ONCADTHGWPNNOK-IBGZPJMESA-N 442.539 1.472 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2Cc2ccn(C)n2)CC1 1722449819 PWGKSQNRYSIBPT-UHFFFAOYSA-N 431.544 1.811 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1722494914 SYBVYBFLJAPGTR-OALUTQOASA-N 444.580 1.800 30 10 IDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C(C)C 1722640316 LKXADOQMGDAZCS-INIZCTEOSA-N 436.557 1.981 30 10 IDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1722699484 JCBUZWNKTOTPHM-FQEVSTJZSA-N 435.532 1.581 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)N2CCSCC2)C1 1722713377 GOZSUEZGZKVFGC-INIZCTEOSA-N 427.596 1.315 30 10 IDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nncn2C)C1 1722722820 SDJUSASEJNDEPV-MRXNPFEDSA-N 425.493 1.824 30 10 IDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722726471 AOIFEFDFIRSPED-CALCHBBNSA-N 436.582 1.419 30 10 IDEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1723076869 JDJDQCGZQBBNAQ-FQEVSTJZSA-N 431.472 1.610 30 10 IDEE CC(C)NC(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1723630041 HMVPAFBROLOQPX-IBGZPJMESA-N 434.504 1.774 30 10 IDEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)Oc1ccc(F)cc1 1723809697 HJSCTFSPHCAKQL-YJBOKZPZSA-N 428.468 1.849 30 10 IDEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1724012799 ZRGZZQRODQYLMJ-STXHMFSFSA-N 434.566 1.225 30 10 IDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS(=O)(=O)C1 1729033854 OPRBBSCLGKOXGC-CQSZACIVSA-N 446.533 1.174 30 10 IDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1730446935 HLFGWAVVQXRZTJ-MRXNPFEDSA-N 446.577 1.959 30 10 IDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@@H](C)O1 1730591663 DVSHLPJVKBBUTA-OXQOHEQNSA-N 436.520 1.818 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC2)c1 1730994102 AUVVHYPBERWTSS-KRWDZBQOSA-N 430.534 1.173 30 10 IDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCC(F)F)C1 1731181229 HNGULCUUKHYCGG-KRWDZBQOSA-N 428.440 1.993 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1740622536 ZFHZWKNGOIZSHA-IERDGZPVSA-N 441.513 1.468 30 10 IDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1740626482 VCTGRAFIBKQIEO-LJQANCHMSA-N 445.589 1.953 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1740642505 XGGBJTZUQUMTOB-UHFFFAOYSA-N 428.500 1.615 30 10 IDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740714667 GVPGYOQWPFFEEM-INIZCTEOSA-N 449.602 1.790 30 10 IDEE C=C(Br)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740747331 FIPUOXNXRAFGQU-MRXNPFEDSA-N 434.338 1.923 30 10 IDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740791702 APNUVZDTRCEION-DLBZAZTESA-N 432.569 1.953 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740964256 MKUWGJZXBSUGEF-GOSISDBHSA-N 447.561 1.481 30 10 IDEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1741707214 CGCJDRVWJBGUHZ-UHFFFAOYSA-N 437.548 1.642 30 10 IDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCC(=O)N(C)C)CC2)c1C#N 1742668891 GRALUMVBPHWHDV-UHFFFAOYSA-N 441.584 1.585 30 10 IDEE CN(C)CC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1747582695 CUVATPZOAGVWQV-UHFFFAOYSA-N 446.563 1.916 30 10 IDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1747940292 QKBVJERUELKYKP-FQEVSTJZSA-N 433.534 1.493 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748656027 JZOYAPPSQNKPED-HOTGVXAUSA-N 447.561 1.702 30 10 IDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)CC1 1748735859 ULPGEUPPOYKLRI-UHFFFAOYSA-N 431.562 1.530 30 10 IDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1nnc(C)s1 1748856060 RJFPWARTRGIFBB-UHFFFAOYSA-N 425.543 1.745 30 10 IDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2ccccn2)CC1 1748972143 CKBZTPJPTAOSTI-KRWDZBQOSA-N 445.593 1.016 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1748989483 MJCJZJBHGOJQFT-LVCYWYKZSA-N 435.594 1.283 30 10 IDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1749496241 LAMKWPUWRWRQKN-QGZVFWFLSA-N 429.550 1.563 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC)CC1 1749680549 MKCKKGCQQWNDRK-UHFFFAOYSA-N 441.536 1.238 30 10 IDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C(C)=O)CC2)C1 1749715894 WTGSEWDOVYALGB-NRFANRHFSA-N 439.564 1.209 30 10 IDEE Cc1ccc2c(c1)CCN2c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1751591796 UUVBOSIDNQPHBI-XUTLUUPISA-N 449.515 1.945 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)c1 1760128410 HMCYBTCYXMPTKX-LJQANCHMSA-N 443.467 1.798 30 10 IDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1760138241 USPYZQXCZFYPRD-IAGOWNOFSA-N 439.582 1.276 30 10 IDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1760195143 XFAVQBHEOXUGHA-VQIMIIECSA-N 443.598 1.992 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCc1ccco1 1760199379 VNMUTWXFZVXQRU-UHFFFAOYSA-N 433.468 1.945 30 10 IDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1760206547 DBKMTYCQJLBXLB-UHFFFAOYSA-N 439.541 1.120 30 10 IDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1 1760249687 QLIJZAKZESMCIA-OAHLLOKOSA-N 437.591 1.894 30 10 IDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)CC1 1760260973 FQMFOFRASJNZRN-INIZCTEOSA-N 434.591 1.025 30 10 IDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)CC)CC1 1760264648 VIZWJJFTUJYTJU-SSEXGKCCSA-N 426.546 1.253 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCn2cc(CO)nn2)CC1 1760270622 SSZQDEPCFUIZMX-UHFFFAOYSA-N 442.568 1.007 30 10 IDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760272606 PPVFMKDSHALXAS-UHFFFAOYSA-N 435.598 1.367 30 10 IDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760299579 AKYMVPMMCZLFAD-UONOGXRCSA-N 437.342 1.670 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1760333555 HFGQTUPFRDGMLS-MLYOOKFZSA-N 444.580 1.904 30 10 IDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760445437 JTVYNERWLLNBCW-RTBURBONSA-N 432.569 1.264 30 10 IDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1 1760445697 SLNOWTTYQTXIJV-KRWDZBQOSA-N 437.508 1.951 30 10 IDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OCC 1760464950 SIOHMDQKMIGMQY-SFHVURJKSA-N 435.550 1.680 30 10 IDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CCO1 1760669136 UUOLIRHSLKQJMG-KRWDZBQOSA-N 434.447 1.440 30 10 IDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)COCCO1 1761569021 ARUWOIDPLFXPJH-RXVVDRJESA-N 445.545 1.636 30 10 IDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1763401736 HRDWAOJEUDVXDA-LERMDLETSA-N 440.548 1.955 30 10 IDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccoc1 1767392912 FZFORNQUOYVOFS-UHFFFAOYSA-N 430.490 1.355 30 10 IDEE COCCN(C)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1769788987 FFKVSZIWLKOMHH-UHFFFAOYSA-N 447.547 1.512 30 10 IDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1771113141 KGQOQOPFVSZNHX-HZPDHXFCSA-N 446.474 1.759 30 10 IDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2)NC1=O 1851239035 KXEXSEKMEYGQKQ-LBPRGKRZSA-N 436.390 1.375 30 10 IDEE CN1CCN(c2nc(NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)c(C#N)cc2C#N)CC1 1851791014 JLYHRYNUTQYTRO-SFHVURJKSA-N 435.532 1.696 30 10 IDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cc(OCC(F)(F)F)ncn3)CC2)nc1 1852082791 CNBUHYKAZZHSDR-UHFFFAOYSA-N 436.394 1.663 30 10 IDEE C=CCN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)[C@H]1CCN(C)C1=O 1852560255 WXZYQZIEGVHQSJ-XJKSGUPXSA-N 427.910 1.112 30 10 IDEE C[C@@H]1C(=O)N(C(=O)COc2ccccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854645976 LXEMUIOCLDYHLY-CQSZACIVSA-N 431.445 1.524 30 10 IDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2csc(-n3cccc3)n2)C1)[C@H]1CCN(C)C1=O 1857252396 DHSDXNQTIFBXTL-WBVHZDCISA-N 427.530 1.641 30 10 IDEE COc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 1874274704 OLYCQUBFZRAPPM-GGPGUOJZSA-N 430.534 1.861 30 10 IDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(Br)cc1F 1891495248 SWTZZEWQLQRBJY-UHFFFAOYSA-N 426.271 1.759 30 10 IDEE CS(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(-c4cccs4)nc3C#N)CC2)CC1 1892389511 HYADQJCMUFXYLL-UHFFFAOYSA-N 449.558 1.595 30 10 IDEE C=C(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2020853638 UOMKKGFGKHOBEE-AWEZNQCLSA-N 446.375 1.618 30 10 IDEE C#CC(C)(C)N1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2146867154 MPDGZOVPBSGMCA-UHFFFAOYSA-N 431.558 1.668 30 10 IDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2247824016 UIIWQGWMSWIBNZ-LBPRGKRZSA-N 441.359 1.366 30 10 IDEE CC(C)(C)OC(=O)NOCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247880825 MAQSTVGBHGNLQV-UHFFFAOYSA-N 443.331 1.115 30 10 IDEE C=C(CS(=O)(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)B1OC(C)(C)C(C)(C)O1 2247908883 BLXCLDFMUQPXLE-UHFFFAOYSA-N 440.293 1.894 30 10 IDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2248403804 GOQUXKMWTXRRDV-GFCCVEGCSA-N 441.721 1.858 30 10 IDEE Cc1c(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255536247 GKDDQIXSJIVIGW-UHFFFAOYSA-N 434.346 1.767 30 10 IDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2255596274 LTWGSYAJPUYGHR-FICVDOATSA-N 432.330 1.646 30 10 IDEE Cn1cc(C(=O)N[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255623113 JIKKSBNTHOJOJL-YEJXKQKISA-N 432.330 1.459 30 10 IDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255632952 USMBIGGTSPARRG-GXTWGEPZSA-N 436.318 1.121 30 10 IDEE C[C@@H]1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1NC(=O)OC(C)(C)C 2255645624 QKNZFQIWBFCILD-HIFRSBDPSA-N 432.330 1.761 30 10 IDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2255693861 JKAIBDZFZYZIMW-OLZOCXBDSA-N 435.334 1.005 30 10 IDEE Cc1nn(C)c(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2255828754 WYMWBMVRQQXDED-UONOGXRCSA-N 434.346 1.671 30 10 IDEE Cn1nc(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2255844089 QHHJYRBIXIIREF-STQMWFEESA-N 432.330 1.314 30 10 IDEE C[C@H](NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2255854670 FLNNSZZONJPSNC-ZDUSSCGKSA-N 436.314 1.679 30 10 IDEE C[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)C(=O)OC(C)(C)C 2255874586 MXXZDSZBUQKIEQ-CYBMUJFWSA-N 437.350 1.490 30 10 IDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255874814 YLOHDFVYKVWCKK-STQMWFEESA-N 435.334 1.242 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2255881865 DYBDLIJNPOAASF-GJZGRUSLSA-N 433.314 1.091 30 10 IDEE CN(Cc1ccccc1)C[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2256938158 QVRAACXYPLBSBF-INIZCTEOSA-N 445.350 1.757 30 10 IDEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)Nc3ncc(B4OC(C)(C)C(C)(C)O4)cn3)(C1)C2 2265963045 WHYLMQYRPQAMSR-MEMLXQNLSA-N 446.313 1.541 30 10 IDEE CN(C[C@H](O)CN(C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2267001848 QKDVIIBXYXXOCE-OAHLLOKOSA-N 449.357 1.681 30 10 IDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2267093589 VZOQZBJTQOKTRH-KKUMJFAQSA-N 448.329 1.073 30 10 IDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3C(NC(=O)OC(C)(C)C)[C@H]3C2)n1 2267145549 FAFAXAOAYGDHCS-KBPBESRZSA-N 446.357 1.797 30 10 IDEE Cn1cc(C(=O)N[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)nc1B1OC(C)(C)C(C)(C)O1 2267181712 WHVPLZQAWQKTCS-OFQRWUPVSA-N 446.357 1.847 30 10 IDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2319986616 CBYSORBWGHCGIU-OTWHNJEPSA-N 442.516 1.822 30 10 IDEE CC(C)(C)OC(=O)N1CC(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)(C(N)=O)C1 2322297890 JPAZTENYXNQJHN-UHFFFAOYSA-N 436.293 1.407 30 10 IDEE CS(=O)(=O)C1(C#CC2(OCCC(=O)O)CN(C(=O)OCc3ccccc3)C2)CCC1 2367788791 QLLLHWSYADJYPF-UHFFFAOYSA-N 435.498 1.840 30 10 IDEE C=CCN([C@H]1CCS(=O)(=O)C1)C1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 2371347939 GCISHFQLUJMHFK-SFHVURJKSA-N 436.530 1.918 30 10 IDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCCC[C@@H]3C(=O)OCC)cc2C1=O 27566902 FNEYVAAGGJBJMW-QGZVFWFLSA-N 428.441 1.570 30 10 IDEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)c1C 59829851 BGCRGIINYQAKJI-UFFVCSGVSA-N 426.510 1.563 30 10 IDEE CCOc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254445582 RTKAOJZNTVZDBD-LSDHHAIUSA-N 426.516 1.942 30 10 IDEE CCc1nc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 426656910 KUJFFJONBLMTNM-UHFFFAOYSA-N 447.542 1.357 30 10 IDEE COCc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)no1 433875677 VGMZMDWAIXMUNG-ZDUSSCGKSA-N 443.279 1.612 30 10 IDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ncn(Cc2cccc(F)c2)n1 440852492 IBNRDOTWAZVGKK-CQSZACIVSA-N 442.476 1.320 30 10 IDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460786523 KERACBYLNAKDRB-INIZCTEOSA-N 446.577 1.829 30 10 IDEE COc1ccc([C@@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c2nccn2C)cc1 471845983 PQEXHUVCEBYACQ-HXUWFJFHSA-N 448.531 1.964 30 10 IDEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 478731478 FVEJKVIOOQYVRG-AWEZNQCLSA-N 441.459 1.744 30 10 IDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)C[C@@H](C)O1 505231348 GRSHAFIPFJKWPJ-IYBDPMFKSA-N 448.545 1.575 30 10 IDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1F 508496899 HHCNSYIOILLDRU-MRXNPFEDSA-N 427.477 1.712 30 10 IDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 508937776 ZZTZVDJHKOOBOE-NRFANRHFSA-N 444.561 1.310 30 10 IDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543657743 MMGCORCZTMYIOX-UHFFFAOYSA-N 428.514 1.812 30 10 IDEE COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cccc(O)c1 545386795 BNJYCIPCORDJOL-IFMALSPDSA-N 440.475 1.744 30 10 IDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 545463247 MKNWHQGARYXREL-FQEVSTJZSA-N 449.511 1.924 30 10 IDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 546697820 JYLLROXYJAOVSC-QGZVFWFLSA-N 437.562 1.365 30 10 IDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 555239975 CTCSOXMCYVLPDW-PASDCYSWSA-N 427.571 1.627 30 10 IDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)oc3C)n2C[C@H]2CCOC2)CC1 559193494 GKNBSHOQPUBBRJ-GOSISDBHSA-N 428.537 1.616 30 10 IDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 582996870 ZOYAGQDLRHFWLT-KRWDZBQOSA-N 427.530 1.776 30 10 IDEE N#CC1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CCCC1 585705355 WDKGITZAAHDHQA-UHFFFAOYSA-N 430.486 1.527 30 10 IDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N2CCCCCC2)nc1C 586300838 AZDBTKWEUKJHIF-NDEPHWFRSA-N 427.548 1.884 30 10 IDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)[C@@H](CC)C(=O)OCCOCC)cc21 586315036 UFZOTQFWPFSQBM-ADSBAMQRSA-N 437.514 1.888 30 10 IDEE COc1cc(OC)c(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 614541075 VFPMYAVRYXGWAZ-UHFFFAOYSA-N 432.502 1.926 30 10 IDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(C)c(OC)c(C)c3)c2=O)c1 726582623 ORLPWZABCFRSFC-UHFFFAOYSA-N 443.528 1.755 30 10 IDEE C[C@H](CN1CCCC1=O)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143219 SANFZKDTJONQGP-SJLPKXTDSA-N 445.589 1.697 30 10 IDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cc(C)on2)cn1 730145226 XWVHCRRBUABBRE-MRXNPFEDSA-N 433.538 1.399 30 10 IDEE C#CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 730772956 ZMEMVPAEJZWLQR-JKSUJKDBSA-N 437.905 1.194 30 10 IDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CC(=O)NC2=O)n(-c2cccc(F)c2)c1C 732355791 BFFNXLSMRWUAAC-UHFFFAOYSA-N 427.392 1.138 30 10 IDEE C=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC 734028129 BPJRHOPPGFRSPO-MRXNPFEDSA-N 426.447 1.801 30 10 IDEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 741249772 YHPZOOWFHTVWDQ-JXFKEZNVSA-N 444.532 1.620 30 10 IDEE C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 744545295 JJAURLOWJLLFRH-SWLSCSKDSA-N 445.335 1.836 30 10 IDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)cc(Br)cc2C)CC1 747278832 QWLOWMBYYQGXAU-UHFFFAOYSA-N 442.379 1.512 30 10 IDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 767833286 HBSSGNRQROTHKS-SNVBAGLBSA-N 447.307 1.718 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC2CCS(=O)(=O)CC2)C1=O 768419111 YGTCTUYRYGMJNZ-QGZVFWFLSA-N 448.570 1.841 30 10 IDEE CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CCc2nnnn2C)C1=O 771539603 QBCOBLDAOPGSDI-CYBMUJFWSA-N 435.941 1.791 30 10 IDEE C[C@H](CC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1)/N=C1/NS(=O)(=O)c2ccccc21 772240261 BJMBIWIFDBQDMG-UKRRQHHQSA-N 426.498 1.746 30 10 IDEE CC(=O)C(C)(C)CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772290868 NHCOQPILVMSLJD-UHFFFAOYSA-N 449.529 1.330 30 10 IDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O 773655189 DSLAPDRBQPMDRO-IAFNSTAXSA-N 447.289 1.587 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)n1 789028911 AWNFLUVPGZDWAU-FQEVSTJZSA-N 439.564 1.280 30 10 IDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 794578485 COLLRIGHMNHBLQ-KGLIPLIRSA-N 431.539 1.044 30 10 IDEE CCOC(=O)[C@@](C)(NC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 797769440 CRYFRQXICPURNJ-NQIIRXRSSA-N 430.482 1.590 30 10 IDEE C[C@H](C(=O)NS(=O)(=O)c1cccc2cncc(Br)c12)n1cnc(C#N)n1 798863530 GDNVNJQUVFYYDL-SECBINFHSA-N 435.263 1.527 30 10 IDEE N#C[C@@H]1CN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CCN1C1CC1 799249071 KNCPFZISKSUYAX-OAHLLOKOSA-N 435.326 1.885 30 10 IDEE Cn1ncc(CCCN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)n1 814707747 VIVSSRDFSBQRKA-GOSISDBHSA-N 437.529 1.920 30 10 IDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)[C@H]1CCNC(=O)CC1)CCCC2 815421157 HPHSJSIRWHOGMT-CVEARBPZSA-N 442.516 1.816 30 10 IDEE CCc1noc(C[C@]2(O)CCCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)n1 856676649 KKDXOGLOZNJJQO-JOCHJYFZSA-N 435.488 1.697 30 10 IDEE CCS(=O)(=O)N(C)CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(F)cc1 915270126 OTQOIIPHFRBPIE-HNNXBMFYSA-N 444.554 1.565 30 10 IDEE CN(C)C(=O)C1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 916693713 OZQMNJHTIIBWFH-PYCFMQQDSA-N 435.550 1.832 30 10 IDEE C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256642 RVGRFUQCJXRBQY-MRXNPFEDSA-N 429.521 1.896 30 10 IDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)N(CCO)[C@H](C)C1 1140911332 ICZCZBLILYIXGS-JZXOWHBKSA-N 436.578 1.053 30 10 IDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c1 1141695709 DITMFTRIFJMZDO-UHFFFAOYSA-N 434.539 1.664 30 10 IDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1144921879 DVXQVDNWFRNYIL-HNNXBMFYSA-N 432.464 1.997 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)Cc1ccc(O)cc1 1152176585 RRBJRDJTMPNJLV-APWZRJJASA-N 445.541 1.709 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1152967692 NPFMUPWEPKFGGX-UHFFFAOYSA-N 430.571 1.073 30 10 IDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCc3c(OCC(N)=O)cccc32)cc1 1158804343 VMAGKYOHGVYGCG-UHFFFAOYSA-N 427.482 1.055 30 10 IDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCc2c(C)noc2C)CC1 1175515345 YEHWUJTTWDXQPR-UHFFFAOYSA-N 432.502 1.096 30 10 IDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1c(C)noc1C)c1ccc(Br)cc1 1183579167 DATRPJSZZAECJI-CQSZACIVSA-N 426.292 1.823 30 10 IDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OC 1194895983 DQPIKZBFQMRGFT-QGZVFWFLSA-N 430.548 1.647 30 10 IDEE C#CCCOc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1 1265031782 XHTAIMMLBIKFSM-UHFFFAOYSA-N 428.514 1.818 30 10 IDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC(=O)NC1CC1 1286376800 NYYDTDLMSBOWKA-KRWDZBQOSA-N 446.552 1.715 30 10 IDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCS(=O)(=O)C1 1286387843 IXGWELTUWFQHPC-SJORKVTESA-N 447.948 1.504 30 10 IDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1286393732 MMGALRNONVRVIG-MRXNPFEDSA-N 444.561 1.036 30 10 IDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NCC 1286413154 IINXVJAJKCEQKL-UHFFFAOYSA-N 448.575 1.687 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1286426001 GIZPUIOLUUFMIO-UHFFFAOYSA-N 436.516 1.918 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1286426428 VLFCOKXGJYWZCM-SJORKVTESA-N 428.537 1.948 30 10 IDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1286509644 VKFREVASLBBOQK-IAGOWNOFSA-N 441.623 1.604 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NC)CC1 1286563378 JQMURIRUMUZUDW-PXNSSMCTSA-N 430.553 1.344 30 10 IDEE COc1cc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1289204494 KLKRLKIZXMSBJQ-QFYYESIMSA-N 429.292 1.477 30 10 IDEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1299024809 FLSTUIFRBTXHBF-KBXCAEBGSA-N 441.513 1.635 30 10 IDEE N#Cc1c[nH]nc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1299769900 ACERGEXJFVYDEC-UHFFFAOYSA-N 430.273 1.861 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1300309994 WHVFCSYLBLNXLN-MAUKXSAKSA-N 429.546 1.839 30 10 IDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CCCCC1 1300458270 GBGCHFPJGRYXJN-GOSISDBHSA-N 435.594 1.285 30 10 IDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300486789 BGJTUCUCVALLHB-QZTJIDSGSA-N 430.578 1.632 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1300512624 KZHHVHLMPYHARO-HSZRJFAPSA-N 439.491 1.572 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2CC)CC1 1300723670 ZADZTNOLHKHMIF-UXHICEINSA-N 428.581 1.970 30 10 IDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300754018 FPOAPYTUKORHEH-MRXNPFEDSA-N 434.591 1.472 30 10 IDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1301041082 JSHKOLQLBHJUBM-IMJJTQAJSA-N 429.974 1.090 30 10 IDEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1301373288 USCWUSUJQABNAQ-FQEVSTJZSA-N 440.566 1.048 30 10 IDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1301404657 QIHOMYPXHFFDOS-OAHLLOKOSA-N 438.579 1.603 30 10 IDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1301491295 OLURFIUHABZWSE-UHFFFAOYSA-N 439.545 1.908 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1301499801 GJQIGKQBUNBJJD-KRWDZBQOSA-N 426.521 1.419 30 10 IDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301514077 DQVFVADQPKBRCC-KRWDZBQOSA-N 447.561 1.345 30 10 IDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1309403614 WTAULNRGHRSMJO-MOPGFXCFSA-N 443.587 1.803 30 10 IDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1314468905 HEEMDWXUNNVLLL-KRWDZBQOSA-N 432.550 1.571 30 10 IDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1315348001 DRYHIARCILFFLF-OREJSRFESA-N 431.468 1.944 30 10 IDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS2)CC1 1316354020 CMEOEQRNXVIZEX-KRWDZBQOSA-N 432.575 1.794 30 10 IDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358960647 IVJICBFEBBYHHQ-UWJYYQICSA-N 429.546 1.436 30 10 IDEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1359012904 CNONCTISTGAKSB-OAQYLSRUSA-N 432.546 1.483 30 10 IDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1359016626 IBFRLHFQLMBHDF-MRXNPFEDSA-N 433.509 1.095 30 10 IDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2(O)CCCC2)n1 1359028644 ZDJPNQUGAYZYHW-GOSISDBHSA-N 428.537 1.570 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2ccn(C)n2)CC1 1359046629 ZQFFGRPTUKCGMK-UHFFFAOYSA-N 437.573 1.872 30 10 IDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359058517 GTUBCAZZYDUWGB-SJLPKXTDSA-N 432.521 1.735 30 10 IDEE C#CCSCCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1359062374 FTRYBIAONFHTQI-OAQYLSRUSA-N 435.594 1.601 30 10 IDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(CCS(C)(=O)=O)C1CC1 1359299076 UIQQLMRSKYJKKC-UHFFFAOYSA-N 442.545 1.742 30 10 IDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1359854478 VBABAKPQMFCUEX-VGOFRKELSA-N 425.537 1.610 30 10 IDEE COC(=O)Nc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(C(F)(F)F)c1 1439612850 IHZNDFYFVDSEHD-LRDDRELGSA-N 431.392 1.894 30 10 IDEE C#CCn1ccc(CN(CCOC)C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)n1 1448861598 SSVHXGIPAKNSOP-UHFFFAOYSA-N 446.548 1.643 30 10 IDEE C[C@]1(C[C@@H]2CCCN2C(=O)COc2cccc(Br)c2C#N)NC(=O)NC1=O 1449338434 DWFGHHHFPFQVOD-BBATYDOGSA-N 435.278 1.679 30 10 IDEE C#CC[C@H](NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Br)C(=O)OC 1451183292 VZHFPXDHEGBCFV-GJZGRUSLSA-N 441.347 1.982 30 10 IDEE C=CC[C@@]1(C(=O)N2CCN(C(=O)C(OC)OC)CC2)CCCN1C(=O)OC(C)(C)C 1453156180 CETXUBKXLLNYLT-NRFANRHFSA-N 425.526 1.622 30 10 IDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(CC#N)c3)CC2)cc1 1461397883 OPBXKPJXLDKEGM-UHFFFAOYSA-N 442.541 1.643 30 10 IDEE C#Cc1ccc(S(=O)(=O)N2CCC(n3nncc3I)CC2)cc1 1464090985 NXJGLOZBUZKFTQ-UHFFFAOYSA-N 442.282 1.890 30 10 IDEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)O1 1466486945 VRCSWTVMXOSVLS-WBVHZDCISA-N 435.322 1.509 30 10 IDEE C#CCN1CCC(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)CC1 1469922367 OXOZRYOEMHBEPY-CVEARBPZSA-N 445.482 1.711 30 10 IDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 1475658604 UDEWEXXGIGULBF-NNZMDNLPSA-N 435.546 1.994 30 10 IDEE N#Cc1c(CCCNC(=O)NC2CN(c3ccncn3)C2)nn(-c2ccc(F)cc2)c1N 1479154767 SORGTCCSXUELTH-UHFFFAOYSA-N 435.467 1.376 30 10 IDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1503614339 FHXCOINLFPLLPB-GOSISDBHSA-N 439.545 1.974 30 10 IDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCSC2)CC1 1504529643 ACZLZDRMCIRYQM-KRWDZBQOSA-N 426.546 1.865 30 10 IDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCS(C)(=O)=O 1507522504 WJMXCPUZVVQOMC-AWEZNQCLSA-N 436.534 1.864 30 10 IDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1507629461 MMXGMXUNNFIZSE-RTBURBONSA-N 442.589 1.699 30 10 IDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCSCC2)CCCC1 1507636712 CPYMQRVKWYEYAD-UHFFFAOYSA-N 428.606 1.851 30 10 IDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC 1507711794 ZOVKURGWJZFPPW-SFHVURJKSA-N 432.546 1.713 30 10 IDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2COCCO2)CC1 1507728322 QISQXIDKQBJDAJ-JOCHJYFZSA-N 439.560 1.633 30 10 IDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1507731546 LKFKMUNKMJOXDD-MOPGFXCFSA-N 432.569 1.698 30 10 IDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508092942 SCZWUEUPMRWSCL-FQEVSTJZSA-N 449.559 1.953 30 10 IDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1508094115 GEEHWJPJDCTJEP-GOSISDBHSA-N 435.532 1.757 30 10 IDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ncc[nH]2)c2cncc(Br)c2)C1=O 1530884022 RESODLXEAXQEKK-UHFFFAOYSA-N 447.249 1.077 30 10 IDEE CSC1([C@@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 1533086650 QMSBVAZGJDPTHM-OAHLLOKOSA-N 425.580 1.375 30 10 IDEE Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)N1CCOCC1 1536708958 OOLNTBMVLRGZBV-UHFFFAOYSA-N 434.514 1.494 30 10 IDEE CN(C)C(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1538988821 OJXCFPQDIJZJBG-PSCUFVCCSA-N 433.553 1.006 30 10 IDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1539043207 OFEHMEGOFYSCEI-YSIASYRMSA-N 439.516 1.378 30 10 IDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1539326466 VYIOSTMOYYTUCO-QGZVFWFLSA-N 437.541 1.356 30 10 IDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NC(C)C)CC1 1539443948 BWZISVWJSDRBLS-UHFFFAOYSA-N 432.532 1.411 30 10 IDEE C=CCCOCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1540042807 RNFVPPUXEDGHKR-UGKGYDQZSA-N 435.569 1.432 30 10 IDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540907801 IXDJDEMZMFIWHJ-MSOLQXFVSA-N 434.610 1.590 30 10 IDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540919607 DNGPDVVRYTXOHP-OAHLLOKOSA-N 446.602 2.000 30 10 IDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1547711064 CYFHMIOZJXAQFH-KRWDZBQOSA-N 446.577 1.408 30 10 IDEE COCc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)ccc1F 1555306099 AXBRVPBJULPAPL-KBPBESRZSA-N 438.529 1.960 30 10 IDEE COCc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)ccc1F 1555306103 AXBRVPBJULPAPL-UONOGXRCSA-N 438.529 1.960 30 10 IDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CCO1 1555385527 GAOFLDLEWVOHJT-YLJYHZDGSA-N 426.521 1.389 30 10 IDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)c1 1555792300 BHNCKNIPNDFSEP-GOSISDBHSA-N 430.469 1.082 30 10 IDEE CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)C(C)(C)[C@H]21 1557815967 RLELJPVZXBKZTK-KBMXLJTQSA-N 431.493 1.361 30 10 IDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccc(C(N)=O)nc2)CC1 1565661969 RHIHLFKGCBTDPW-GOSISDBHSA-N 442.317 1.895 30 10 IDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)s1 1568918725 WIBXXXIQSVFJMV-AWEZNQCLSA-N 439.563 1.166 30 10 IDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1587707220 YDGLBWVZYSZAIC-BBWFWOEESA-N 425.555 1.076 30 10 IDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1587974994 IUSXZNIYLFTEKP-QGZVFWFLSA-N 435.532 1.465 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCSC1 1588200143 DVBLKINPVBFEGZ-OAQYLSRUSA-N 434.529 1.252 30 10 IDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1588420869 SAMVBUUQOLHKEU-DQRAZIAOSA-N 444.499 1.503 30 10 IDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS(=O)(=O)C1 1588673567 SQPFSWMRAZIJHV-GOSISDBHSA-N 434.566 1.051 30 10 IDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CCC)C1 1589294835 BDVVQZQNJSQXFH-CHWSQXEVSA-N 436.376 1.802 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)[C@H]1CC 1589482238 HVWLGOWKTGRLCI-JQHSSLGASA-N 432.569 1.893 30 10 IDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)F)CC1 1593735515 JEECLGDZHNZKLK-UHFFFAOYSA-N 438.479 1.986 30 10 IDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 1594497129 APAFKXJQGNUGNY-ZACQAIPSSA-N 441.598 1.827 30 10 IDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 1595545492 XWNCUNGKWZLYHP-MRXNPFEDSA-N 448.568 1.968 30 10 IDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Nc2cccnn2)CC1 1595562448 ZJYJVKFBAVNJNM-UHFFFAOYSA-N 433.520 1.437 30 10 IDEE CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1615600066 IYTKLICURYCCKQ-MRXNPFEDSA-N 427.523 1.800 30 10 IDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n[nH]2)c1C 1623817395 FHBPSCBBSLXLKO-INIZCTEOSA-N 434.566 1.820 30 10 IDEE Cc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)N2CCOCC2)o1 1628924039 GMXCKVUIADUAPW-GOSISDBHSA-N 435.477 1.828 30 10 IDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1 1630461983 MOLHIQKIJQICGN-KRWDZBQOSA-N 427.567 1.567 30 10 IDEE COC(=O)c1cc(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 1632882135 QJENVYIUFRVZRO-UHFFFAOYSA-N 446.485 1.296 30 10 IDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)CCS2(=O)=O 1638897913 POOMKGAITKMSCD-IOBOIYPZSA-N 449.529 1.132 30 10 IDEE COC(=O)[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1640473033 KRUFYXCXYZTGHF-ZBFHGGJFSA-N 437.518 1.074 30 10 IDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1645239610 MMVCPUSGEQKWBK-GOSISDBHSA-N 431.518 1.330 30 10 IDEE N#C[C@@]12CN(C(=O)c3ccc(I)c(O)c3)C[C@H]1CS(=O)(=O)C2 1646439626 MDTSXILJUFLOIY-HZMBPMFUSA-N 432.239 1.007 30 10 IDEE N#C[C@@]12CN(C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1648416357 YKHQDCHIJRMXTK-PEYYIBSZSA-N 433.299 1.198 30 10 IDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1Cc2cccnc2NC1=O 1651204887 YHBABWCCCOOIHC-JKSUJKDBSA-N 441.513 1.359 30 10 IDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1658649172 BFWXPKBJPAIPLW-OAHLLOKOSA-N 448.636 1.241 30 10 IDEE C=CCCn1cc(CNS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)nn1 1663554966 IOHYHQDUIZMCBG-LJQANCHMSA-N 449.533 1.311 30 10 IDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N1CCN(c2cnccc2C#N)CC1 1668411992 FXZDSHVLYVJNPT-KRWDZBQOSA-N 443.533 1.480 30 10 IDEE C=CCN(C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H](C)COC 1675971870 MWIUNFHKWZFPNI-CVEARBPZSA-N 433.571 1.643 30 10 IDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1685037300 ZFGJQGQCNAJSBQ-QFIPXVFZSA-N 444.536 1.811 30 10 IDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1689936818 FRGUXZBMEISSMK-UHFFFAOYSA-N 441.624 1.809 30 10 IDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1690507524 OTAHHYUCAHIZCS-KRWDZBQOSA-N 437.504 1.901 30 10 IDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 1690659416 RXXXUAVOAAMEEG-QHCPKHFHSA-N 438.532 1.744 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690731624 OJBOIRGWSNSZAM-DLBZAZTESA-N 433.534 1.783 30 10 IDEE CCC(O)(CC)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1694418734 DENOTBWEAJWPQW-KRWDZBQOSA-N 442.568 1.573 30 10 IDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c(F)c1 1697452761 DBPBKCSQLKZCPV-GOEBONIOSA-N 435.481 1.105 30 10 IDEE COCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1698000461 MHBCGSNDIXPJJA-KRWDZBQOSA-N 428.541 1.449 30 10 IDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1698495790 XHEYKADEGUFHTE-DPPKGPFUSA-N 439.520 1.829 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1705490115 CHISYNDJZASQCE-MRXNPFEDSA-N 447.543 1.908 30 10 IDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc([C@H](C)O)cc1 1705495516 RDRVITMQYIACTB-BXWFABGCSA-N 447.561 1.171 30 10 IDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1705559205 UIONSBIZCPTJLK-INIZCTEOSA-N 431.518 1.091 30 10 IDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@@H]1NC(=O)NC1=O 1705577279 XLOVTODCLONYDR-INIZCTEOSA-N 428.855 1.799 30 10 IDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1705589562 SGKZWATYJDGEJJ-MOPGFXCFSA-N 434.610 1.472 30 10 IDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1705595148 HXYGFIOJCKMUPC-UHFFFAOYSA-N 436.541 1.925 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)C(C)(C)C)CC1 1705647567 GXRJQJNDOBYRRA-UHFFFAOYSA-N 430.597 1.995 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N(C)C)CC1 1705650887 BQLAQIBGDWJPJH-KRWDZBQOSA-N 442.539 1.912 30 10 IDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705818873 YBCQIRIQILDGKO-ZWKOTPCHSA-N 429.569 1.328 30 10 IDEE CC(C)(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1706118923 DRMUPAHUZWCVAP-GOSISDBHSA-N 446.577 1.964 30 10 IDEE C[C@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1708260997 HSAPCSIQSYFRJI-KRWDZBQOSA-N 438.536 1.776 30 10 IDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1710976058 GFGBZAPPZFBIGE-QGZVFWFLSA-N 430.534 1.308 30 10 IDEE COc1ccc(OC)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1711870342 GCOUANDSDQRUKC-AWEZNQCLSA-N 448.549 1.694 30 10 IDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722369807 HHNXUVJZTUVURC-MOPGFXCFSA-N 437.610 1.706 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1722435045 DYOBESXTCVZKCQ-BGYRXZFFSA-N 425.581 1.538 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722467697 BOLWANDRDLKJBE-MBOZVWFJSA-N 439.582 1.276 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1722507702 IVIVJHHEOHKONY-GGPKGHCWSA-N 433.553 1.796 30 10 IDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722686364 XIQPOAAJIOPNLK-SFHVURJKSA-N 430.553 1.646 30 10 IDEE CC[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccc2C#N)CC1 1726798685 FNQJGMTUWDTLBA-JTSKRJEESA-N 443.552 1.756 30 10 IDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1727703262 JTFGREJMGCCJPJ-ZEVGMECHSA-N 441.536 1.552 30 10 IDEE CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1728362245 ZCFGWUDKEWQKMK-KRWDZBQOSA-N 440.508 1.326 30 10 IDEE CN(Cc1cnccn1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1729432287 UIZOPKPWFSBEQM-XUTLUUPISA-N 430.472 1.898 30 10 IDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1729658758 KRMLYSIPKJOXPW-SFHVURJKSA-N 447.499 1.689 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCC[C@@H]1CO 1740542059 NEWDPOFFOKYJMP-WIYYLYMNSA-N 449.563 1.616 30 10 IDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)(C)C 1740607137 FQLFTHCHFWBAQJ-UHFFFAOYSA-N 431.566 1.470 30 10 IDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1740621624 XTPXFRBNZLAVEV-SJORKVTESA-N 436.484 1.996 30 10 IDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1740644913 YNISAOMQNDQIJM-WMZHIEFXSA-N 427.549 1.998 30 10 IDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2cnnn2)CC1 1740700725 ZXCOODGFKAAVSU-UHFFFAOYSA-N 437.577 1.711 30 10 IDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 1740751158 YGIYOSVASDDVIK-RDJZCZTQSA-N 439.582 1.411 30 10 IDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740847889 WULAAYVXGHNKSG-JKSUJKDBSA-N 438.598 1.597 30 10 IDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740990813 GBHGMXUYOWJBGK-GOSISDBHSA-N 447.561 1.856 30 10 IDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1740996768 RVXYVFXEJFCUKV-CABCVRRESA-N 440.599 1.241 30 10 IDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1741003461 VHVWPQGHIUMJSY-AWEZNQCLSA-N 429.612 1.450 30 10 IDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1741801585 BMRCEXRGKPBPBL-XSLAGTTESA-N 430.532 1.866 30 10 IDEE CN(CCc1cnccn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747903399 ZEYNMWFYQCTBRR-AWEZNQCLSA-N 427.490 1.162 30 10 IDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CS(C)(=O)=O)CC1 1748658797 XMRQZRCQWPABLN-OAHLLOKOSA-N 430.530 1.999 30 10 IDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1748718528 KHDUJIGREJOLMN-IBGZPJMESA-N 430.578 1.833 30 10 IDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1-n1cccn1 1748830010 NESXQAQBHOSCOO-HSZRJFAPSA-N 431.500 1.632 30 10 IDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(CS(C)(=O)=O)CC2)CC1 1748987394 WPQBZZQNMBDXMZ-UHFFFAOYSA-N 428.562 1.229 30 10 IDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749085633 CGWIHGKLXCXTLQ-BFHYXJOUSA-N 447.330 1.271 30 10 IDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1749127930 PVVWKLMYMMWCCV-RMJJICAUSA-N 433.553 1.841 30 10 IDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C1CC1 1749519512 MAESJBGKZRGTBE-KRWDZBQOSA-N 432.506 1.279 30 10 IDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1750066169 GUTWLRYSBIQEQY-BBRMVZONSA-N 429.435 1.941 30 10 IDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C)n(C)c1=O 1760173466 WHTHECNVAIPIQH-UHFFFAOYSA-N 425.514 1.473 30 10 IDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760268014 JXIRGPJKKYGHHF-IBGZPJMESA-N 449.559 1.564 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1760290694 NGKMGQKULQCALT-UIFIKXQLSA-N 436.578 1.890 30 10 IDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1760297589 ATWGYAWBAUVQSO-OAQYLSRUSA-N 447.561 1.749 30 10 IDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760449228 DRUCNCAZJOWUFB-IBGZPJMESA-N 440.552 1.071 30 10 IDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2F)CC1 1760522258 PBLFVBNXOVXVGY-HNNXBMFYSA-N 432.475 1.689 30 10 IDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760554836 ODLLKQIPBILNNN-LSDHHAIUSA-N 434.628 1.725 30 10 IDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760572142 UKJJXKGWHYLVQM-BMFAXAFESA-N 435.594 1.978 30 10 IDEE 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